smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c2ccccn2c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352009222 282089749 /nfs/dbraw/zinc/08/97/49/282089749.db2.gz TYSIKQKSBQUGPU-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352009222 282089754 /nfs/dbraw/zinc/08/97/54/282089754.db2.gz TYSIKQKSBQUGPU-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)C1CC1 ZINC000186875930 530000800 /nfs/dbraw/zinc/00/08/00/530000800.db2.gz WWVOWQOUTHIWJK-HXUWFJFHSA-N 2 2 344.499 3.172 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)C1CC1 ZINC000186875930 530000802 /nfs/dbraw/zinc/00/08/02/530000802.db2.gz WWVOWQOUTHIWJK-HXUWFJFHSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@@H+]1C1CC1 ZINC000184168861 235322133 /nfs/dbraw/zinc/32/21/33/235322133.db2.gz ZGRMAXCOCCJOQG-BBRMVZONSA-N 2 2 344.434 3.023 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@H+]1C1CC1 ZINC000184168861 235322135 /nfs/dbraw/zinc/32/21/35/235322135.db2.gz ZGRMAXCOCCJOQG-BBRMVZONSA-N 2 2 344.434 3.023 20 0 EGADLP Brc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000030655328 202197190 /nfs/dbraw/zinc/19/71/90/202197190.db2.gz HFFIXXJSNXHJPK-UHFFFAOYSA-N 2 2 349.257 3.381 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cn(C(C)(C)C)nn1)[N@H+](C)Cc1ccccc1 ZINC000191265321 201052911 /nfs/dbraw/zinc/05/29/11/201052911.db2.gz GNTMKQNCVBPKOU-INIZCTEOSA-N 2 2 329.492 3.033 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cn(C(C)(C)C)nn1)[N@@H+](C)Cc1ccccc1 ZINC000191265321 201052915 /nfs/dbraw/zinc/05/29/15/201052915.db2.gz GNTMKQNCVBPKOU-INIZCTEOSA-N 2 2 329.492 3.033 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cncc(Br)c1 ZINC000134078178 201127453 /nfs/dbraw/zinc/12/74/53/201127453.db2.gz MGWNZPKYGZLPBM-UHFFFAOYSA-N 2 2 345.244 3.292 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668542 201252741 /nfs/dbraw/zinc/25/27/41/201252741.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668542 201252745 /nfs/dbraw/zinc/25/27/45/201252745.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668542 201252750 /nfs/dbraw/zinc/25/27/50/201252750.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668542 201252753 /nfs/dbraw/zinc/25/27/53/201252753.db2.gz OVGFCDFZZOJCOS-KCLUMXDGSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644814 201298106 /nfs/dbraw/zinc/29/81/06/201298106.db2.gz RRADYWMCZHZYRT-VQIMIIECSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644814 201298110 /nfs/dbraw/zinc/29/81/10/201298110.db2.gz RRADYWMCZHZYRT-VQIMIIECSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119594 201300473 /nfs/dbraw/zinc/30/04/73/201300473.db2.gz NIOUDAHXDVCGSE-DOTOQJQBSA-N 2 2 331.485 3.085 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119594 201300476 /nfs/dbraw/zinc/30/04/76/201300476.db2.gz NIOUDAHXDVCGSE-DOTOQJQBSA-N 2 2 331.485 3.085 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)C4CC[NH2+]CC4)cc3)[nH+]c12 ZINC000237858224 242825546 /nfs/dbraw/zinc/82/55/46/242825546.db2.gz OIMAIPQNBMPEFR-UHFFFAOYSA-N 2 2 334.423 3.248 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000071857588 203130225 /nfs/dbraw/zinc/13/02/25/203130225.db2.gz FZQPAWOOVDCIDU-OAHLLOKOSA-N 2 2 331.435 3.330 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000072726297 203243586 /nfs/dbraw/zinc/24/35/86/203243586.db2.gz QMFTTZIHZHZFIW-UHFFFAOYSA-N 2 2 326.868 3.321 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857811 203248603 /nfs/dbraw/zinc/24/86/03/203248603.db2.gz ZMZAMOOXTPLLMF-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857811 203248605 /nfs/dbraw/zinc/24/86/05/203248605.db2.gz ZMZAMOOXTPLLMF-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000072857811 203248608 /nfs/dbraw/zinc/24/86/08/203248608.db2.gz ZMZAMOOXTPLLMF-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000072857811 203248612 /nfs/dbraw/zinc/24/86/12/203248612.db2.gz ZMZAMOOXTPLLMF-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075859970 203326139 /nfs/dbraw/zinc/32/61/39/203326139.db2.gz HZFDNAOQTKYYTB-IBGZPJMESA-N 2 2 326.488 3.238 20 0 EGADLP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075859970 203326142 /nfs/dbraw/zinc/32/61/42/203326142.db2.gz HZFDNAOQTKYYTB-IBGZPJMESA-N 2 2 326.488 3.238 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000076005044 203331101 /nfs/dbraw/zinc/33/11/01/203331101.db2.gz ATKKXXOSRLMEPG-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000076005044 203331104 /nfs/dbraw/zinc/33/11/04/203331104.db2.gz ATKKXXOSRLMEPG-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000262618348 245068042 /nfs/dbraw/zinc/06/80/42/245068042.db2.gz DILOJSTVUBSTBR-MRXNPFEDSA-N 2 2 344.484 3.076 20 0 EGADLP c1coc([C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000110113677 220017509 /nfs/dbraw/zinc/01/75/09/220017509.db2.gz JCMIMGCOXRPPPG-MRXNPFEDSA-N 2 2 341.459 3.309 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000125466512 205011516 /nfs/dbraw/zinc/01/15/16/205011516.db2.gz MHIMVBVBDATSDI-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000125466512 205011519 /nfs/dbraw/zinc/01/15/19/205011519.db2.gz MHIMVBVBDATSDI-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000156178926 205067112 /nfs/dbraw/zinc/06/71/12/205067112.db2.gz BCALKDODVGFFMX-GOEBONIOSA-N 2 2 325.412 3.073 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(Br)c1 ZINC000130374009 205237999 /nfs/dbraw/zinc/23/79/99/205237999.db2.gz CPGLXTJOXFVJBO-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(Br)c1 ZINC000130374009 205238002 /nfs/dbraw/zinc/23/80/02/205238002.db2.gz CPGLXTJOXFVJBO-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156467713 206081202 /nfs/dbraw/zinc/08/12/02/206081202.db2.gz WBTTUKWFKWVNCH-BBRMVZONSA-N 2 2 341.390 3.155 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156467713 206081205 /nfs/dbraw/zinc/08/12/05/206081205.db2.gz WBTTUKWFKWVNCH-BBRMVZONSA-N 2 2 341.390 3.155 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000159114238 206227232 /nfs/dbraw/zinc/22/72/32/206227232.db2.gz JTTPANSBOFWWDB-CQSZACIVSA-N 2 2 342.430 3.440 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC000159016892 206220475 /nfs/dbraw/zinc/22/04/75/206220475.db2.gz DHODXDNPMDABHS-JKSUJKDBSA-N 2 2 342.462 3.384 20 0 EGADLP CCCCC[C@@H](CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378443231 169121601 /nfs/dbraw/zinc/12/16/01/169121601.db2.gz ROJJNJSVGFYIGT-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@@H](CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378443231 169121603 /nfs/dbraw/zinc/12/16/03/169121603.db2.gz ROJJNJSVGFYIGT-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000173353694 206919110 /nfs/dbraw/zinc/91/91/10/206919110.db2.gz OZDBUZKCXMNVSY-GOSISDBHSA-N 2 2 340.467 3.248 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1OC(F)F ZINC000174513467 207025525 /nfs/dbraw/zinc/02/55/25/207025525.db2.gz BLVKCXAUZTZLHN-TZMCWYRMSA-N 2 2 328.403 3.259 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000174513467 207025527 /nfs/dbraw/zinc/02/55/27/207025527.db2.gz BLVKCXAUZTZLHN-TZMCWYRMSA-N 2 2 328.403 3.259 20 0 EGADLP CC(C)CCOCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175785230 207160264 /nfs/dbraw/zinc/16/02/64/207160264.db2.gz FJDZOPZQFWRGLV-UHFFFAOYSA-N 2 2 333.520 3.083 20 0 EGADLP CC(C)CCOCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175785230 207160269 /nfs/dbraw/zinc/16/02/69/207160269.db2.gz FJDZOPZQFWRGLV-UHFFFAOYSA-N 2 2 333.520 3.083 20 0 EGADLP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cc(OC)cc[nH+]1 ZINC000267715692 251279927 /nfs/dbraw/zinc/27/99/27/251279927.db2.gz AEYYUWMTEXJQTH-UHFFFAOYSA-N 2 2 333.398 3.186 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cn2)c[nH+]1 ZINC000176996195 207282454 /nfs/dbraw/zinc/28/24/54/207282454.db2.gz OBUMHDOEEOVCLU-UHFFFAOYSA-N 2 2 348.450 3.449 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000177194103 207305042 /nfs/dbraw/zinc/30/50/42/207305042.db2.gz MFLWEWJTGTWUDD-GDBMZVCRSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@H+]1C1CC1 ZINC000177194103 207305046 /nfs/dbraw/zinc/30/50/46/207305046.db2.gz MFLWEWJTGTWUDD-GDBMZVCRSA-N 2 2 337.423 3.229 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)n1 ZINC000268826501 252275095 /nfs/dbraw/zinc/27/50/95/252275095.db2.gz PMUGXKUPJFSZGN-QGZVFWFLSA-N 2 2 338.499 3.451 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268879564 252326978 /nfs/dbraw/zinc/32/69/78/252326978.db2.gz RAFCZEXVFLTDBK-XLIONFOSSA-N 3 2 326.488 3.224 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268879564 252326981 /nfs/dbraw/zinc/32/69/81/252326981.db2.gz RAFCZEXVFLTDBK-XLIONFOSSA-N 3 2 326.488 3.224 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611699 285228803 /nfs/dbraw/zinc/22/88/03/285228803.db2.gz RLHRWANUOVKAPQ-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611699 285228805 /nfs/dbraw/zinc/22/88/05/285228805.db2.gz RLHRWANUOVKAPQ-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611699 285228806 /nfs/dbraw/zinc/22/88/06/285228806.db2.gz RLHRWANUOVKAPQ-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611699 285228808 /nfs/dbraw/zinc/22/88/08/285228808.db2.gz RLHRWANUOVKAPQ-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000248544153 285334416 /nfs/dbraw/zinc/33/44/16/285334416.db2.gz DJYHIHGAELNKJU-HUUCEWRRSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000248544153 285334418 /nfs/dbraw/zinc/33/44/18/285334418.db2.gz DJYHIHGAELNKJU-HUUCEWRRSA-N 2 2 339.886 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000187028158 533425796 /nfs/dbraw/zinc/42/57/96/533425796.db2.gz NQRPOUJGPWGERW-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677803996 549333865 /nfs/dbraw/zinc/33/38/65/549333865.db2.gz DKDRZBNGZJJFOX-VQTJNVASSA-N 2 2 346.515 3.215 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000677803996 549333871 /nfs/dbraw/zinc/33/38/71/549333871.db2.gz DKDRZBNGZJJFOX-VQTJNVASSA-N 2 2 346.515 3.215 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246936472 141045033 /nfs/dbraw/zinc/04/50/33/141045033.db2.gz HJQNEDNGQGISHA-CSODHUTKSA-N 2 2 339.483 3.218 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246936472 141045035 /nfs/dbraw/zinc/04/50/35/141045035.db2.gz HJQNEDNGQGISHA-CSODHUTKSA-N 2 2 339.483 3.218 20 0 EGADLP Cc1c[nH+]c(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1C ZINC000342798438 141149624 /nfs/dbraw/zinc/14/96/24/141149624.db2.gz JKFHTGAVNZGBFP-OAHLLOKOSA-N 2 2 332.879 3.261 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810262 141149950 /nfs/dbraw/zinc/14/99/50/141149950.db2.gz PYWFEZLRLGWVNV-UZLBHIALSA-N 2 2 349.482 3.001 20 0 EGADLP Cc1cc(Br)cn2cc(CCNc3cccc[nH+]3)[nH+]c12 ZINC000347884771 141209885 /nfs/dbraw/zinc/20/98/85/141209885.db2.gz YITYMOHHUQFEOL-UHFFFAOYSA-N 2 2 331.217 3.455 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930494 141270768 /nfs/dbraw/zinc/27/07/68/141270768.db2.gz LDFNOQMUKPEHIQ-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930494 141270771 /nfs/dbraw/zinc/27/07/71/141270771.db2.gz LDFNOQMUKPEHIQ-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930494 141270774 /nfs/dbraw/zinc/27/07/74/141270774.db2.gz LDFNOQMUKPEHIQ-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930494 141270776 /nfs/dbraw/zinc/27/07/76/141270776.db2.gz LDFNOQMUKPEHIQ-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000352955757 141276973 /nfs/dbraw/zinc/27/69/73/141276973.db2.gz IXNHBWWTOMNTRC-IRXDYDNUSA-N 2 2 335.923 3.330 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000352955072 141276976 /nfs/dbraw/zinc/27/69/76/141276976.db2.gz HEZSTJVCMYWMFG-FTEYMNFISA-N 2 2 345.531 3.393 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000352955072 141276977 /nfs/dbraw/zinc/27/69/77/141276977.db2.gz HEZSTJVCMYWMFG-FTEYMNFISA-N 2 2 345.531 3.393 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353353295 141293213 /nfs/dbraw/zinc/29/32/13/141293213.db2.gz PSXMYFWBJLKSTK-HUUCEWRRSA-N 2 2 343.475 3.212 20 0 EGADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C[C@@H](C)O1 ZINC000353357191 141294589 /nfs/dbraw/zinc/29/45/89/141294589.db2.gz WXARPIZGROXQIA-HNBVOPMISA-N 2 2 348.531 3.224 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356846867 141353050 /nfs/dbraw/zinc/35/30/50/141353050.db2.gz JESSLOQILLJQRN-OAHLLOKOSA-N 3 2 335.458 3.257 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356846867 141353051 /nfs/dbraw/zinc/35/30/51/141353051.db2.gz JESSLOQILLJQRN-OAHLLOKOSA-N 3 2 335.458 3.257 20 0 EGADLP CCC[N@H+](C)CC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000357986096 141374661 /nfs/dbraw/zinc/37/46/61/141374661.db2.gz YLZZXKDYSZXTOB-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000357986096 141374662 /nfs/dbraw/zinc/37/46/62/141374662.db2.gz YLZZXKDYSZXTOB-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP CCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000184111023 144086492 /nfs/dbraw/zinc/08/64/92/144086492.db2.gz LFBFKTBEHIGMML-UHFFFAOYSA-N 2 2 335.536 3.022 20 0 EGADLP COc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000344690255 144210576 /nfs/dbraw/zinc/21/05/76/144210576.db2.gz WTOUVKZBINKFAY-ZJUUUORDSA-N 2 2 333.295 3.092 20 0 EGADLP COc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000344690255 144210578 /nfs/dbraw/zinc/21/05/78/144210578.db2.gz WTOUVKZBINKFAY-ZJUUUORDSA-N 2 2 333.295 3.092 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCc2ccc(O)cc2)CC1 ZINC000344741104 144218691 /nfs/dbraw/zinc/21/86/91/144218691.db2.gz HLPJFAFDVBORNU-MRXNPFEDSA-N 2 2 334.504 3.192 20 0 EGADLP Cc1ccc(-c2n[nH]cc2CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)o1 ZINC000351570779 144281900 /nfs/dbraw/zinc/28/19/00/144281900.db2.gz PPIIBSPATNDETL-UHFFFAOYSA-N 2 2 334.383 3.230 20 0 EGADLP c1cn(-c2ccccc2)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)n1 ZINC000351570684 144282006 /nfs/dbraw/zinc/28/20/06/144282006.db2.gz ZZHPZIUUXPNIMF-UHFFFAOYSA-N 2 2 330.395 3.124 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860593 144317062 /nfs/dbraw/zinc/31/70/62/144317062.db2.gz JHAFWMAICNELHV-IAGOWNOFSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860593 144317064 /nfs/dbraw/zinc/31/70/64/144317064.db2.gz JHAFWMAICNELHV-IAGOWNOFSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000351866340 144317723 /nfs/dbraw/zinc/31/77/23/144317723.db2.gz RLOGPMVIMMBDEF-OBJOEFQTSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000351866340 144317725 /nfs/dbraw/zinc/31/77/25/144317725.db2.gz RLOGPMVIMMBDEF-OBJOEFQTSA-N 2 2 334.851 3.044 20 0 EGADLP Fc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000363893447 144374359 /nfs/dbraw/zinc/37/43/59/144374359.db2.gz PFBHSLUCQYOCBS-LJQANCHMSA-N 2 2 341.430 3.299 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000677806811 549335331 /nfs/dbraw/zinc/33/53/31/549335331.db2.gz OXKGRWYWNWOJIF-RTWAWAEBSA-N 2 2 338.495 3.233 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000677806811 549335334 /nfs/dbraw/zinc/33/53/34/549335334.db2.gz OXKGRWYWNWOJIF-RTWAWAEBSA-N 2 2 338.495 3.233 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000341096518 155155231 /nfs/dbraw/zinc/15/52/31/155155231.db2.gz VXQWUQSSXYKCPK-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000341096518 155155236 /nfs/dbraw/zinc/15/52/36/155155236.db2.gz VXQWUQSSXYKCPK-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc(C2CC2)[nH+]1 ZINC000341448005 155297317 /nfs/dbraw/zinc/29/73/17/155297317.db2.gz CVWPBOVJCRYCTD-OAHLLOKOSA-N 2 2 342.512 3.470 20 0 EGADLP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(C2CC2)[nH+]1 ZINC000341448005 155297320 /nfs/dbraw/zinc/29/73/20/155297320.db2.gz CVWPBOVJCRYCTD-OAHLLOKOSA-N 2 2 342.512 3.470 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341492971 155324093 /nfs/dbraw/zinc/32/40/93/155324093.db2.gz FNZFICMUCPLZCD-LJQANCHMSA-N 3 2 344.547 3.148 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341492971 155324098 /nfs/dbraw/zinc/32/40/98/155324098.db2.gz FNZFICMUCPLZCD-LJQANCHMSA-N 3 2 344.547 3.148 20 0 EGADLP Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1Oc1cc[nH+]cc1 ZINC000115329518 152006301 /nfs/dbraw/zinc/00/63/01/152006301.db2.gz DNKGGNIYOQAUEC-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP CC[N@H+](CCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000115362165 152008793 /nfs/dbraw/zinc/00/87/93/152008793.db2.gz BEFJQHJUOAZMFF-UHFFFAOYSA-N 2 2 339.439 3.396 20 0 EGADLP CC[N@@H+](CCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000115362165 152008796 /nfs/dbraw/zinc/00/87/96/152008796.db2.gz BEFJQHJUOAZMFF-UHFFFAOYSA-N 2 2 339.439 3.396 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000119750433 152226108 /nfs/dbraw/zinc/22/61/08/152226108.db2.gz SCEDKDJHNFOQLP-QRQLOZEOSA-N 2 2 332.488 3.125 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000119750433 152226111 /nfs/dbraw/zinc/22/61/11/152226111.db2.gz SCEDKDJHNFOQLP-QRQLOZEOSA-N 2 2 332.488 3.125 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c1 ZINC000120896021 152307860 /nfs/dbraw/zinc/30/78/60/152307860.db2.gz ZGKSXKMQDDJLLD-UHFFFAOYSA-N 2 2 339.468 3.164 20 0 EGADLP CCCCn1c(SC[C@H]2CC[N@H+](C)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000190951373 153167628 /nfs/dbraw/zinc/16/76/28/153167628.db2.gz WDUNINHLXRGURF-LSDHHAIUSA-N 2 2 339.553 3.135 20 0 EGADLP CCCCn1c(SC[C@H]2CC[N@@H+](C)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000190951373 153167633 /nfs/dbraw/zinc/16/76/33/153167633.db2.gz WDUNINHLXRGURF-LSDHHAIUSA-N 2 2 339.553 3.135 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191464265 153198749 /nfs/dbraw/zinc/19/87/49/153198749.db2.gz ARDSQKMWYSXAEX-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191464265 153198755 /nfs/dbraw/zinc/19/87/55/153198755.db2.gz ARDSQKMWYSXAEX-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000303217139 154040039 /nfs/dbraw/zinc/04/00/39/154040039.db2.gz DWCNVKKYKCBOBY-WBVHZDCISA-N 2 2 338.492 3.045 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305142348 154086638 /nfs/dbraw/zinc/08/66/38/154086638.db2.gz QPXPNQDASFWZTE-ZDUSSCGKSA-N 2 2 325.522 3.072 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336711392 154211713 /nfs/dbraw/zinc/21/17/13/154211713.db2.gz PUIPBLFOJGVSOA-VQTJNVASSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336711392 154211716 /nfs/dbraw/zinc/21/17/16/154211716.db2.gz PUIPBLFOJGVSOA-VQTJNVASSA-N 2 2 326.488 3.162 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H]3c3ccccc3)c2cc1C ZINC000336894029 154233239 /nfs/dbraw/zinc/23/32/39/154233239.db2.gz VQWPZDRGXUJRET-ICSRJNTNSA-N 2 2 335.451 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H]3c3ccccc3)c2cc1C ZINC000336894029 154233241 /nfs/dbraw/zinc/23/32/41/154233241.db2.gz VQWPZDRGXUJRET-ICSRJNTNSA-N 2 2 335.451 3.461 20 0 EGADLP CC[N@H+](CCO)CC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000337315344 154279659 /nfs/dbraw/zinc/27/96/59/154279659.db2.gz XDEAYKVSHLYNIR-WYMLVPIESA-N 2 2 330.394 3.013 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000337315344 154279660 /nfs/dbraw/zinc/27/96/60/154279660.db2.gz XDEAYKVSHLYNIR-WYMLVPIESA-N 2 2 330.394 3.013 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337338260 154292944 /nfs/dbraw/zinc/29/29/44/154292944.db2.gz NQXQMZOTRWYOHA-DFQSSKMNSA-N 2 2 331.504 3.054 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337338260 154292953 /nfs/dbraw/zinc/29/29/53/154292953.db2.gz NQXQMZOTRWYOHA-DFQSSKMNSA-N 2 2 331.504 3.054 20 0 EGADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402809 154334456 /nfs/dbraw/zinc/33/44/56/154334456.db2.gz LJAJUPNGUNRUNB-HNAYVOBHSA-N 2 2 334.891 3.372 20 0 EGADLP Clc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402809 154334458 /nfs/dbraw/zinc/33/44/58/154334458.db2.gz LJAJUPNGUNRUNB-HNAYVOBHSA-N 2 2 334.891 3.372 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346819385 156150072 /nfs/dbraw/zinc/15/00/72/156150072.db2.gz BQDYLMNJYAQNPB-GHMZBOCLSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346819385 156150080 /nfs/dbraw/zinc/15/00/80/156150080.db2.gz BQDYLMNJYAQNPB-GHMZBOCLSA-N 2 2 329.307 3.340 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000346865854 156170466 /nfs/dbraw/zinc/17/04/66/156170466.db2.gz OITLFJIXCHTCJQ-IRXDYDNUSA-N 2 2 341.503 3.491 20 0 EGADLP CCC1(CC)[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C[C@H]1OC ZINC000346927535 156199988 /nfs/dbraw/zinc/19/99/88/156199988.db2.gz BPGXCAJDQHDAKE-RCCFBDPRSA-N 2 2 346.519 3.228 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)[nH+]1 ZINC000362086769 157016133 /nfs/dbraw/zinc/01/61/33/157016133.db2.gz NDEDBJPWWYWTRI-GOSISDBHSA-N 2 2 348.454 3.252 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405320 157115596 /nfs/dbraw/zinc/11/55/96/157115596.db2.gz SMPOKEBDAQTZLH-ZBFHGGJFSA-N 2 2 344.459 3.222 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405320 157115599 /nfs/dbraw/zinc/11/55/99/157115599.db2.gz SMPOKEBDAQTZLH-ZBFHGGJFSA-N 2 2 344.459 3.222 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093371072 162006790 /nfs/dbraw/zinc/00/67/90/162006790.db2.gz RNQOXHDEXAKTIU-ZNMIVQPWSA-N 2 2 337.533 3.172 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093371072 162006793 /nfs/dbraw/zinc/00/67/93/162006793.db2.gz RNQOXHDEXAKTIU-ZNMIVQPWSA-N 2 2 337.533 3.172 20 0 EGADLP OCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc21 ZINC000114467257 162234104 /nfs/dbraw/zinc/23/41/04/162234104.db2.gz PLUHSPWEXMQWBY-OAQYLSRUSA-N 2 2 333.435 3.354 20 0 EGADLP OCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCc2ccccc21 ZINC000114467257 162234107 /nfs/dbraw/zinc/23/41/07/162234107.db2.gz PLUHSPWEXMQWBY-OAQYLSRUSA-N 2 2 333.435 3.354 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)ccc1OCCO ZINC000354134285 165972616 /nfs/dbraw/zinc/97/26/16/165972616.db2.gz QXGUOXKHZPBMHW-MRXNPFEDSA-N 2 2 344.455 3.053 20 0 EGADLP Cn1cc([C@@H]([NH2+]CCC[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000180016350 162720176 /nfs/dbraw/zinc/72/01/76/162720176.db2.gz JKDDQPNIEPSHKH-IBGZPJMESA-N 2 2 330.451 3.114 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248787959 163034431 /nfs/dbraw/zinc/03/44/31/163034431.db2.gz IMMVBWBXCQHIHQ-RSPOEFSDSA-N 2 2 345.531 3.474 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248787959 163034433 /nfs/dbraw/zinc/03/44/33/163034433.db2.gz IMMVBWBXCQHIHQ-RSPOEFSDSA-N 2 2 345.531 3.474 20 0 EGADLP CCCCc1noc([C@H](C)[N@@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)n1 ZINC000337044887 163113969 /nfs/dbraw/zinc/11/39/69/163113969.db2.gz FBNCDNBWDDIXPW-BHYGNILZSA-N 2 2 328.460 3.148 20 0 EGADLP CCCCc1noc([C@H](C)[N@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)n1 ZINC000337044887 163113971 /nfs/dbraw/zinc/11/39/71/163113971.db2.gz FBNCDNBWDDIXPW-BHYGNILZSA-N 2 2 328.460 3.148 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)c[nH+]1 ZINC000354330301 166004742 /nfs/dbraw/zinc/00/47/42/166004742.db2.gz NWQJKIGVJPWQPG-AWEZNQCLSA-N 2 2 325.412 3.004 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c[nH+]1 ZINC000354353882 166007966 /nfs/dbraw/zinc/00/79/66/166007966.db2.gz WJMMNHLHCNCEPI-QGZVFWFLSA-N 2 2 343.858 3.371 20 0 EGADLP Cc1ccoc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343918496 164065718 /nfs/dbraw/zinc/06/57/18/164065718.db2.gz IJMPIMAMGBBQBO-CALCHBBNSA-N 2 2 328.456 3.487 20 0 EGADLP Cc1ccoc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343918496 164065719 /nfs/dbraw/zinc/06/57/19/164065719.db2.gz IJMPIMAMGBBQBO-CALCHBBNSA-N 2 2 328.456 3.487 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)c3cncc(F)c3)sc2C1 ZINC000344324693 164157147 /nfs/dbraw/zinc/15/71/47/164157147.db2.gz HBSNPRXKMOXOQQ-GFCCVEGCSA-N 2 2 334.464 3.295 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)c3cncc(F)c3)sc2C1 ZINC000344324693 164157149 /nfs/dbraw/zinc/15/71/49/164157149.db2.gz HBSNPRXKMOXOQQ-GFCCVEGCSA-N 2 2 334.464 3.295 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344499620 164183907 /nfs/dbraw/zinc/18/39/07/164183907.db2.gz WKLBMZINYVVUHY-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344499620 164183912 /nfs/dbraw/zinc/18/39/12/164183912.db2.gz WKLBMZINYVVUHY-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000346155163 164352267 /nfs/dbraw/zinc/35/22/67/164352267.db2.gz GKKQWNOERPHMQG-RLLQIKCJSA-N 2 2 346.515 3.071 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000349411036 164877488 /nfs/dbraw/zinc/87/74/88/164877488.db2.gz WBQYOKWBIHSMCF-UHFFFAOYSA-N 2 2 326.868 3.275 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000349411036 164877490 /nfs/dbraw/zinc/87/74/90/164877490.db2.gz WBQYOKWBIHSMCF-UHFFFAOYSA-N 2 2 326.868 3.275 20 0 EGADLP CCc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000354943421 166070594 /nfs/dbraw/zinc/07/05/94/166070594.db2.gz RJTDMEIJIHIUHW-UHFFFAOYSA-N 2 2 346.519 3.047 20 0 EGADLP CCc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000354943421 166070596 /nfs/dbraw/zinc/07/05/96/166070596.db2.gz RJTDMEIJIHIUHW-UHFFFAOYSA-N 2 2 346.519 3.047 20 0 EGADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc[nH+]c(C)c2Cl)cc1 ZINC000350292589 165026558 /nfs/dbraw/zinc/02/65/58/165026558.db2.gz YEQFPLUYOBNFLB-GOSISDBHSA-N 2 2 345.874 3.259 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748577 165068950 /nfs/dbraw/zinc/06/89/50/165068950.db2.gz QSEPLVKYEPRQMN-HOTGVXAUSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748577 165068954 /nfs/dbraw/zinc/06/89/54/165068954.db2.gz QSEPLVKYEPRQMN-HOTGVXAUSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748577 165068958 /nfs/dbraw/zinc/06/89/58/165068958.db2.gz QSEPLVKYEPRQMN-HOTGVXAUSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748577 165068960 /nfs/dbraw/zinc/06/89/60/165068960.db2.gz QSEPLVKYEPRQMN-HOTGVXAUSA-N 2 2 340.462 3.235 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351894641 165141139 /nfs/dbraw/zinc/14/11/39/165141139.db2.gz YQQMHIQFEHIKAD-AWEZNQCLSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351894641 165141140 /nfs/dbraw/zinc/14/11/40/165141140.db2.gz YQQMHIQFEHIKAD-AWEZNQCLSA-N 2 2 346.814 3.175 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2OC(F)F)s1 ZINC000352250530 165308952 /nfs/dbraw/zinc/30/89/52/165308952.db2.gz IJFHUOGQIYPSGN-UHFFFAOYSA-N 2 2 327.400 3.096 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000352297943 165330300 /nfs/dbraw/zinc/33/03/00/165330300.db2.gz QZMJIJKPWHOHLN-NUJGCVRESA-N 2 2 326.488 3.480 20 0 EGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352365549 165364514 /nfs/dbraw/zinc/36/45/14/165364514.db2.gz SZROCNADALNWLW-MRXNPFEDSA-N 2 2 334.460 3.354 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CCC[C@H]3C[NH+]3CCCCC3)n2c1 ZINC000352384002 165374676 /nfs/dbraw/zinc/37/46/76/165374676.db2.gz QIJXHXSZDQTDAS-INIZCTEOSA-N 2 2 332.879 3.438 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1cccs1 ZINC000352512397 165451158 /nfs/dbraw/zinc/45/11/58/165451158.db2.gz XKUXOEUGECPLAS-WMLDXEAASA-N 2 2 337.533 3.155 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1cccs1 ZINC000352512397 165451160 /nfs/dbraw/zinc/45/11/60/165451160.db2.gz XKUXOEUGECPLAS-WMLDXEAASA-N 2 2 337.533 3.155 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1nc2c(s1)CCC2 ZINC000355117128 166111192 /nfs/dbraw/zinc/11/11/92/166111192.db2.gz ILPPKXSADOFMCO-CQSZACIVSA-N 2 2 342.512 3.342 20 0 EGADLP CC[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355124614 166113051 /nfs/dbraw/zinc/11/30/51/166113051.db2.gz QXDUUICTVNIIFY-AZUAARDMSA-N 3 2 330.520 3.152 20 0 EGADLP CO[C@]1(C)CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000355575711 166248780 /nfs/dbraw/zinc/24/87/80/166248780.db2.gz BCEKDAYAULWEKU-GOSISDBHSA-N 2 2 337.533 3.301 20 0 EGADLP CO[C@]1(C)CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000355575711 166248781 /nfs/dbraw/zinc/24/87/81/166248781.db2.gz BCEKDAYAULWEKU-GOSISDBHSA-N 2 2 337.533 3.301 20 0 EGADLP CO[C@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000355575711 166248783 /nfs/dbraw/zinc/24/87/83/166248783.db2.gz BCEKDAYAULWEKU-GOSISDBHSA-N 2 2 337.533 3.301 20 0 EGADLP CO[C@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000355575711 166248784 /nfs/dbraw/zinc/24/87/84/166248784.db2.gz BCEKDAYAULWEKU-GOSISDBHSA-N 2 2 337.533 3.301 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)c1cn(C)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000359663347 167204905 /nfs/dbraw/zinc/20/49/05/167204905.db2.gz MOKSGQHIODKFOZ-DNVCBOLYSA-N 2 2 326.488 3.216 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)c1cn(C)nc1C)[N@H+]1CCc2ccccc2C1 ZINC000359663347 167204909 /nfs/dbraw/zinc/20/49/09/167204909.db2.gz MOKSGQHIODKFOZ-DNVCBOLYSA-N 2 2 326.488 3.216 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2OCCc3ccccc32)CC1 ZINC000360471572 167337091 /nfs/dbraw/zinc/33/70/91/167337091.db2.gz CIMRTXDFLGZXGT-QGZVFWFLSA-N 2 2 342.405 3.307 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000364831963 167989427 /nfs/dbraw/zinc/98/94/27/167989427.db2.gz WITJDSGJXGVNPV-SJORKVTESA-N 2 2 337.471 3.394 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000365997989 168070063 /nfs/dbraw/zinc/07/00/63/168070063.db2.gz DMPDTWDQRNUPNR-ZDUSSCGKSA-N 2 2 328.416 3.255 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000366254000 168098859 /nfs/dbraw/zinc/09/88/59/168098859.db2.gz XOSYNQXXJZQADZ-OAHLLOKOSA-N 2 2 339.418 3.125 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000366254000 168098861 /nfs/dbraw/zinc/09/88/61/168098861.db2.gz XOSYNQXXJZQADZ-OAHLLOKOSA-N 2 2 339.418 3.125 20 0 EGADLP CCCC(=CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)CCC ZINC000367542477 168238983 /nfs/dbraw/zinc/23/89/83/168238983.db2.gz ONZKUUSFQQBRSA-UHFFFAOYSA-N 2 2 335.536 3.188 20 0 EGADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CCCCC2)n1 ZINC000367614855 168249469 /nfs/dbraw/zinc/24/94/69/168249469.db2.gz JEZXYGKILAAMFN-VQIMIIECSA-N 2 2 346.519 3.122 20 0 EGADLP CC(C)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000367733291 168264621 /nfs/dbraw/zinc/26/46/21/168264621.db2.gz GZJMXHRBROWNBU-JKSUJKDBSA-N 2 2 332.492 3.023 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850021 168277866 /nfs/dbraw/zinc/27/78/66/168277866.db2.gz OKJJNOAFUICCGK-INIZCTEOSA-N 2 2 339.361 3.374 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850021 168277867 /nfs/dbraw/zinc/27/78/67/168277867.db2.gz OKJJNOAFUICCGK-INIZCTEOSA-N 2 2 339.361 3.374 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850021 168277869 /nfs/dbraw/zinc/27/78/69/168277869.db2.gz OKJJNOAFUICCGK-INIZCTEOSA-N 2 2 339.361 3.374 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850021 168277870 /nfs/dbraw/zinc/27/78/70/168277870.db2.gz OKJJNOAFUICCGK-INIZCTEOSA-N 2 2 339.361 3.374 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367923831 168285185 /nfs/dbraw/zinc/28/51/85/168285185.db2.gz DVAIMTTZNVYFKM-QAPCUYQASA-N 2 2 328.412 3.025 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367923831 168285187 /nfs/dbraw/zinc/28/51/87/168285187.db2.gz DVAIMTTZNVYFKM-QAPCUYQASA-N 2 2 328.412 3.025 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000173948545 265013405 /nfs/dbraw/zinc/01/34/05/265013405.db2.gz LXUKWHAEBJNXLK-HBFSDRIKSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000173948545 265013409 /nfs/dbraw/zinc/01/34/09/265013409.db2.gz LXUKWHAEBJNXLK-HBFSDRIKSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000173948545 265013411 /nfs/dbraw/zinc/01/34/11/265013411.db2.gz LXUKWHAEBJNXLK-HBFSDRIKSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000173948545 265013415 /nfs/dbraw/zinc/01/34/15/265013415.db2.gz LXUKWHAEBJNXLK-HBFSDRIKSA-N 2 2 345.531 3.101 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000178329859 265309448 /nfs/dbraw/zinc/30/94/48/265309448.db2.gz ZJIWALVPEYJFRN-GJZGRUSLSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000178329859 265309453 /nfs/dbraw/zinc/30/94/53/265309453.db2.gz ZJIWALVPEYJFRN-GJZGRUSLSA-N 2 2 342.430 3.295 20 0 EGADLP CCOc1ccccc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193455633 266034171 /nfs/dbraw/zinc/03/41/71/266034171.db2.gz WWHHAKPRRCRZGQ-UHFFFAOYSA-N 2 2 331.504 3.083 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000193640764 266049906 /nfs/dbraw/zinc/04/99/06/266049906.db2.gz ZJHAEFMAMKYJKU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3csc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000193640764 266049909 /nfs/dbraw/zinc/04/99/09/266049909.db2.gz ZJHAEFMAMKYJKU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000193640764 266049912 /nfs/dbraw/zinc/04/99/12/266049912.db2.gz ZJHAEFMAMKYJKU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C[C@@H]2C1 ZINC000193640764 266049914 /nfs/dbraw/zinc/04/99/14/266049914.db2.gz ZJHAEFMAMKYJKU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000235137754 266207815 /nfs/dbraw/zinc/20/78/15/266207815.db2.gz SHAMBUBYCBXALT-ZDUSSCGKSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237413636 266232762 /nfs/dbraw/zinc/23/27/62/266232762.db2.gz RGQOQQTWHJFNEC-OAHLLOKOSA-N 2 2 349.906 3.064 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269787393 266358412 /nfs/dbraw/zinc/35/84/12/266358412.db2.gz XNAZCOVILQWMKY-CYBMUJFWSA-N 2 2 343.381 3.253 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269787393 266358418 /nfs/dbraw/zinc/35/84/18/266358418.db2.gz XNAZCOVILQWMKY-CYBMUJFWSA-N 2 2 343.381 3.253 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(O)CCc3ccccc32)n1-c1ccccc1 ZINC000269826329 266364413 /nfs/dbraw/zinc/36/44/13/266364413.db2.gz QVRSXFARGGADDK-OAQYLSRUSA-N 2 2 333.435 3.104 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CCC([NH+]4CCCCC4)CC3)n2c1 ZINC000271048285 266595033 /nfs/dbraw/zinc/59/50/33/266595033.db2.gz SNFVOVMXMKMIEI-UHFFFAOYSA-N 2 2 332.879 3.438 20 0 EGADLP Cc1ccc2c(C)cc(NCC[NH+]3CCC([NH+](C)C)CC3)nc2c1 ZINC000274075529 267176331 /nfs/dbraw/zinc/17/63/31/267176331.db2.gz QENOPWNURJDLEN-UHFFFAOYSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1ccc2c(C)cc(N[C@@H](C)CCN3CC[NH+](C)CC3)[nH+]c2c1 ZINC000274516883 267250640 /nfs/dbraw/zinc/25/06/40/267250640.db2.gz VWPSRQYXLIPDFO-KRWDZBQOSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1ccc2c(C)cc(N[C@@H](C)CC[NH+]3CCN(C)CC3)[nH+]c2c1 ZINC000274516883 267250644 /nfs/dbraw/zinc/25/06/44/267250644.db2.gz VWPSRQYXLIPDFO-KRWDZBQOSA-N 2 2 326.488 3.290 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000274575744 267256924 /nfs/dbraw/zinc/25/69/24/267256924.db2.gz JTLAGUBLGDFYAQ-UTKZUKDTSA-N 2 2 338.499 3.331 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cn1 ZINC000274944198 267309071 /nfs/dbraw/zinc/30/90/71/267309071.db2.gz UEMRTPZZEPBMFP-HNNXBMFYSA-N 2 2 345.874 3.418 20 0 EGADLP O=C1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2cc(F)ccc2N1 ZINC000359063283 275018067 /nfs/dbraw/zinc/01/80/67/275018067.db2.gz BATIAUMTFLFOBO-DQPZFDDXSA-N 2 2 331.435 3.206 20 0 EGADLP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129199835 275068958 /nfs/dbraw/zinc/06/89/58/275068958.db2.gz DDZLNTKQWWBOHI-KRWDZBQOSA-N 2 2 334.463 3.411 20 0 EGADLP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129199835 275068959 /nfs/dbraw/zinc/06/89/59/275068959.db2.gz DDZLNTKQWWBOHI-KRWDZBQOSA-N 2 2 334.463 3.411 20 0 EGADLP CC[C@@H](CSC)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000091099267 275153939 /nfs/dbraw/zinc/15/39/39/275153939.db2.gz ZUTUYJUSSSVJGB-HOTGVXAUSA-N 2 2 335.517 3.087 20 0 EGADLP CC[C@@H](CSC)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000091099267 275153941 /nfs/dbraw/zinc/15/39/41/275153941.db2.gz ZUTUYJUSSSVJGB-HOTGVXAUSA-N 2 2 335.517 3.087 20 0 EGADLP C[N@H+](Cc1ccc(F)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265919 275217748 /nfs/dbraw/zinc/21/77/48/275217748.db2.gz CBCKERMRWUIXOK-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265919 275217750 /nfs/dbraw/zinc/21/77/50/275217750.db2.gz CBCKERMRWUIXOK-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)c(F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188265919 275217752 /nfs/dbraw/zinc/21/77/52/275217752.db2.gz CBCKERMRWUIXOK-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)c(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188265919 275217754 /nfs/dbraw/zinc/21/77/54/275217754.db2.gz CBCKERMRWUIXOK-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000271888049 275238943 /nfs/dbraw/zinc/23/89/43/275238943.db2.gz DJLXHDICJHCTMT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000271888049 275238944 /nfs/dbraw/zinc/23/89/44/275238944.db2.gz DJLXHDICJHCTMT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000271888049 275238945 /nfs/dbraw/zinc/23/89/45/275238945.db2.gz DJLXHDICJHCTMT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000271888049 275238946 /nfs/dbraw/zinc/23/89/46/275238946.db2.gz DJLXHDICJHCTMT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000271914834 275241133 /nfs/dbraw/zinc/24/11/33/275241133.db2.gz YNXQKWRXXGLUCC-NWDGAFQWSA-N 2 2 338.249 3.394 20 0 EGADLP CSC[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697775 275266542 /nfs/dbraw/zinc/26/65/42/275266542.db2.gz SRBZLBHURRKDPB-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697775 275266544 /nfs/dbraw/zinc/26/65/44/275266544.db2.gz SRBZLBHURRKDPB-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278697775 275266546 /nfs/dbraw/zinc/26/65/46/275266546.db2.gz SRBZLBHURRKDPB-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278697775 275266548 /nfs/dbraw/zinc/26/65/48/275266548.db2.gz SRBZLBHURRKDPB-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP Cc1cnn(C)c1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000286254688 275970605 /nfs/dbraw/zinc/97/06/05/275970605.db2.gz ARGRYNUQUILXJN-QGZVFWFLSA-N 2 2 326.488 3.482 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)CC(C)C ZINC000194977666 276119646 /nfs/dbraw/zinc/11/96/46/276119646.db2.gz FESWEGSNUQHDID-ZWKOTPCHSA-N 2 2 329.492 3.240 20 0 EGADLP CC(C)CC[NH+]1CCC(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000289167939 276299286 /nfs/dbraw/zinc/29/92/86/276299286.db2.gz HLFDRWYFUXSUNC-IBGZPJMESA-N 2 2 341.503 3.242 20 0 EGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000289254770 276311912 /nfs/dbraw/zinc/31/19/12/276311912.db2.gz NUBVCZJVWCMQJT-MRXNPFEDSA-N 2 2 325.387 3.302 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000289280008 276315507 /nfs/dbraw/zinc/31/55/07/276315507.db2.gz QBEMMDHUDATZQI-KRWDZBQOSA-N 2 2 345.487 3.114 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000289280008 276315508 /nfs/dbraw/zinc/31/55/08/276315508.db2.gz QBEMMDHUDATZQI-KRWDZBQOSA-N 2 2 345.487 3.114 20 0 EGADLP O[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000289406893 276334156 /nfs/dbraw/zinc/33/41/56/276334156.db2.gz HFLMDTKBYPDUDC-INIZCTEOSA-N 2 2 330.394 3.117 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)no1 ZINC000289786734 276394434 /nfs/dbraw/zinc/39/44/34/276394434.db2.gz OFQKOBZGVABDID-GJZGRUSLSA-N 2 2 346.450 3.286 20 0 EGADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCc1c[nH+]ccc1C ZINC000290230595 276467781 /nfs/dbraw/zinc/46/77/81/276467781.db2.gz FUVHFVQLWUYDOA-GOSISDBHSA-N 2 2 346.496 3.165 20 0 EGADLP COCc1cc(N2CCC([NH2+]C(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000290690898 276529527 /nfs/dbraw/zinc/52/95/27/276529527.db2.gz ULYYECBWDJEDOJ-UHFFFAOYSA-N 2 2 331.435 3.487 20 0 EGADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000290986676 276569674 /nfs/dbraw/zinc/56/96/74/276569674.db2.gz SMPUIMVRKLVDMB-STQMWFEESA-N 2 2 345.447 3.054 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C(=O)N(C)C)cc1 ZINC000292265205 276759054 /nfs/dbraw/zinc/75/90/54/276759054.db2.gz SYPCQROLQUWPJP-MRXNPFEDSA-N 2 2 340.471 3.326 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429179 277086776 /nfs/dbraw/zinc/08/67/76/277086776.db2.gz ZDHNGHNLWLOZMR-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429179 277086777 /nfs/dbraw/zinc/08/67/77/277086777.db2.gz ZDHNGHNLWLOZMR-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429179 277086778 /nfs/dbraw/zinc/08/67/78/277086778.db2.gz ZDHNGHNLWLOZMR-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429179 277086779 /nfs/dbraw/zinc/08/67/79/277086779.db2.gz ZDHNGHNLWLOZMR-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000360494127 277219519 /nfs/dbraw/zinc/21/95/19/277219519.db2.gz BTEZSDFUYFFGJD-IUODEOHRSA-N 2 2 326.531 3.374 20 0 EGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106531907 278341622 /nfs/dbraw/zinc/34/16/22/278341622.db2.gz PJNWTRTXFNLTHG-DLBZAZTESA-N 2 2 347.507 3.158 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106531907 278341623 /nfs/dbraw/zinc/34/16/23/278341623.db2.gz PJNWTRTXFNLTHG-DLBZAZTESA-N 2 2 347.507 3.158 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000342786800 279243569 /nfs/dbraw/zinc/24/35/69/279243569.db2.gz UFCUCEGAFAMTGM-PKOBYXMFSA-N 2 2 326.488 3.386 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000342786800 279243572 /nfs/dbraw/zinc/24/35/72/279243572.db2.gz UFCUCEGAFAMTGM-PKOBYXMFSA-N 2 2 326.488 3.386 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378307629 280700044 /nfs/dbraw/zinc/70/00/44/280700044.db2.gz BJXOMOQSAMINKT-PXNSSMCTSA-N 2 2 338.499 3.005 20 0 EGADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000069562434 281128125 /nfs/dbraw/zinc/12/81/25/281128125.db2.gz ACIHZHQYILXVID-MJGOQNOKSA-N 2 2 346.434 3.091 20 0 EGADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000069562434 281128128 /nfs/dbraw/zinc/12/81/28/281128128.db2.gz ACIHZHQYILXVID-MJGOQNOKSA-N 2 2 346.434 3.091 20 0 EGADLP C[NH+](C)CC[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)(C)C ZINC000116566758 289177655 /nfs/dbraw/zinc/17/76/55/289177655.db2.gz JNYODLUJFZLQIA-HUUCEWRRSA-N 2 2 335.496 3.013 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578319 289266676 /nfs/dbraw/zinc/26/66/76/289266676.db2.gz OOSXBCZLHAGCEA-AQNXPRMDSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578319 289266680 /nfs/dbraw/zinc/26/66/80/289266680.db2.gz OOSXBCZLHAGCEA-AQNXPRMDSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356578319 289266684 /nfs/dbraw/zinc/26/66/84/289266684.db2.gz OOSXBCZLHAGCEA-AQNXPRMDSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356578319 289266687 /nfs/dbraw/zinc/26/66/87/289266687.db2.gz OOSXBCZLHAGCEA-AQNXPRMDSA-N 2 2 349.563 3.364 20 0 EGADLP c1csc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000340517183 304862498 /nfs/dbraw/zinc/86/24/98/304862498.db2.gz DGRFQHYYJUKMFZ-ATLSCFEFSA-N 2 2 332.513 3.432 20 0 EGADLP CC[N@H+](CCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000073067827 307384291 /nfs/dbraw/zinc/38/42/91/307384291.db2.gz GKQWDWNWDHNSJE-UHFFFAOYSA-N 2 2 339.483 3.395 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000073067827 307384293 /nfs/dbraw/zinc/38/42/93/307384293.db2.gz GKQWDWNWDHNSJE-UHFFFAOYSA-N 2 2 339.483 3.395 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccn(C)n1 ZINC000414079483 309059664 /nfs/dbraw/zinc/05/96/64/309059664.db2.gz CGPYJQNQEDRVKZ-MRXNPFEDSA-N 2 2 338.455 3.496 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccn(C)n1 ZINC000414079483 309059665 /nfs/dbraw/zinc/05/96/65/309059665.db2.gz CGPYJQNQEDRVKZ-MRXNPFEDSA-N 2 2 338.455 3.496 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c2ccccc12 ZINC000153168587 307767430 /nfs/dbraw/zinc/76/74/30/307767430.db2.gz UAKXMIXFXWZNFN-IAGOWNOFSA-N 2 2 342.483 3.467 20 0 EGADLP CCc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000414261000 309069240 /nfs/dbraw/zinc/06/92/40/309069240.db2.gz NLEKVXPBXHHWBZ-UHFFFAOYSA-N 2 2 344.890 3.447 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(F)(F)F ZINC000414284677 309070563 /nfs/dbraw/zinc/07/05/63/309070563.db2.gz QWFKTAHTFKVBQS-SQWLQELKSA-N 2 2 329.410 3.470 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(F)(F)F ZINC000414284677 309070564 /nfs/dbraw/zinc/07/05/64/309070564.db2.gz QWFKTAHTFKVBQS-SQWLQELKSA-N 2 2 329.410 3.470 20 0 EGADLP Cc1occc1CNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000414308172 309072000 /nfs/dbraw/zinc/07/20/00/309072000.db2.gz ZOEINRRKZIIYPY-UHFFFAOYSA-N 2 2 335.411 3.259 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323874 309072925 /nfs/dbraw/zinc/07/29/25/309072925.db2.gz AZBMPUKEWRYSPW-PXNSSMCTSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323874 309072926 /nfs/dbraw/zinc/07/29/26/309072926.db2.gz AZBMPUKEWRYSPW-PXNSSMCTSA-N 2 2 338.499 3.254 20 0 EGADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414355739 309074791 /nfs/dbraw/zinc/07/47/91/309074791.db2.gz APGIERLPEQWJRH-LRDDRELGSA-N 2 2 336.867 3.005 20 0 EGADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414355746 309074806 /nfs/dbraw/zinc/07/48/06/309074806.db2.gz APGIERLPEQWJRH-WBMJQRKESA-N 2 2 336.867 3.005 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414361676 309075148 /nfs/dbraw/zinc/07/51/48/309075148.db2.gz ICYRZWPQCPGJTP-HKUYNNGSSA-N 2 2 342.487 3.052 20 0 EGADLP Clc1ccc(/C=C\C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255065070 308038988 /nfs/dbraw/zinc/03/89/88/308038988.db2.gz JVVFHBBVLTYZRF-PBMKKYJASA-N 2 2 334.891 3.397 20 0 EGADLP Clc1ccc(/C=C\C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255065070 308038990 /nfs/dbraw/zinc/03/89/90/308038990.db2.gz JVVFHBBVLTYZRF-PBMKKYJASA-N 2 2 334.891 3.397 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292923584 308080322 /nfs/dbraw/zinc/08/03/22/308080322.db2.gz ILFUZUVGSYTYDM-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292923584 308080324 /nfs/dbraw/zinc/08/03/24/308080324.db2.gz ILFUZUVGSYTYDM-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292923584 308080325 /nfs/dbraw/zinc/08/03/25/308080325.db2.gz ILFUZUVGSYTYDM-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292923584 308080327 /nfs/dbraw/zinc/08/03/27/308080327.db2.gz ILFUZUVGSYTYDM-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989777 308087398 /nfs/dbraw/zinc/08/73/98/308087398.db2.gz NXRFSNCMYZAMAN-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989777 308087400 /nfs/dbraw/zinc/08/74/00/308087400.db2.gz NXRFSNCMYZAMAN-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292989777 308087401 /nfs/dbraw/zinc/08/74/01/308087401.db2.gz NXRFSNCMYZAMAN-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292989777 308087402 /nfs/dbraw/zinc/08/74/02/308087402.db2.gz NXRFSNCMYZAMAN-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000293073665 308096686 /nfs/dbraw/zinc/09/66/86/308096686.db2.gz ZTNASKCBZCLEQO-SFHVURJKSA-N 2 2 330.403 3.106 20 0 EGADLP Cn1ncc2c1CCC[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C2 ZINC000414473785 309082705 /nfs/dbraw/zinc/08/27/05/309082705.db2.gz RFOSSLOSGWOAJJ-UHFFFAOYSA-N 2 2 340.515 3.327 20 0 EGADLP Cn1ncc2c1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C2 ZINC000414473785 309082706 /nfs/dbraw/zinc/08/27/06/309082706.db2.gz RFOSSLOSGWOAJJ-UHFFFAOYSA-N 2 2 340.515 3.327 20 0 EGADLP Cn1ncc2c1CCC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C2 ZINC000414473785 309082707 /nfs/dbraw/zinc/08/27/07/309082707.db2.gz RFOSSLOSGWOAJJ-UHFFFAOYSA-N 2 2 340.515 3.327 20 0 EGADLP Cn1ncc2c1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000414473785 309082708 /nfs/dbraw/zinc/08/27/08/309082708.db2.gz RFOSSLOSGWOAJJ-UHFFFAOYSA-N 2 2 340.515 3.327 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000294769536 308254761 /nfs/dbraw/zinc/25/47/61/308254761.db2.gz KAJPOTGITPVURV-RDJZCZTQSA-N 2 2 327.476 3.071 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000294769536 308254763 /nfs/dbraw/zinc/25/47/63/308254763.db2.gz KAJPOTGITPVURV-RDJZCZTQSA-N 2 2 327.476 3.071 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295188039 308300637 /nfs/dbraw/zinc/30/06/37/308300637.db2.gz IODKSDTZVTXWQT-LNLFQRSKSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295188039 308300638 /nfs/dbraw/zinc/30/06/38/308300638.db2.gz IODKSDTZVTXWQT-LNLFQRSKSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295188038 308300646 /nfs/dbraw/zinc/30/06/46/308300646.db2.gz IODKSDTZVTXWQT-JENIJYKNSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295188038 308300647 /nfs/dbraw/zinc/30/06/47/308300647.db2.gz IODKSDTZVTXWQT-JENIJYKNSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000414659529 309094169 /nfs/dbraw/zinc/09/41/69/309094169.db2.gz NGOVRKAYOPOCDR-SFHVURJKSA-N 2 2 326.488 3.152 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000414659529 309094170 /nfs/dbraw/zinc/09/41/70/309094170.db2.gz NGOVRKAYOPOCDR-SFHVURJKSA-N 2 2 326.488 3.152 20 0 EGADLP CC1CC[NH+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000299228577 308666858 /nfs/dbraw/zinc/66/68/58/308666858.db2.gz QTLNNJTYWINDRS-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301080035 308687462 /nfs/dbraw/zinc/68/74/62/308687462.db2.gz SHWNWRANPCYKPE-UHFFFAOYSA-N 2 2 340.471 3.353 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301875737 308719503 /nfs/dbraw/zinc/71/95/03/308719503.db2.gz ILKVVQYJQABIIK-GJZGRUSLSA-N 2 2 344.507 3.361 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414841568 309105048 /nfs/dbraw/zinc/10/50/48/309105048.db2.gz NMQZSYFOLRSNFH-LJQANCHMSA-N 2 2 330.451 3.317 20 0 EGADLP Cc1nc(C(C)(C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000411363244 308935738 /nfs/dbraw/zinc/93/57/38/308935738.db2.gz CXJKCECREWSLKW-UHFFFAOYSA-N 2 2 328.460 3.389 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414868186 309106481 /nfs/dbraw/zinc/10/64/81/309106481.db2.gz JPWCKHPBWURJPA-UHFFFAOYSA-N 2 2 334.895 3.291 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CCCc2ccc(C)nc2)cc1 ZINC000414881128 309106924 /nfs/dbraw/zinc/10/69/24/309106924.db2.gz KREYOSKPVDHEKJ-NHCUHLMSSA-N 2 2 339.483 3.067 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000414881128 309106925 /nfs/dbraw/zinc/10/69/25/309106925.db2.gz KREYOSKPVDHEKJ-NHCUHLMSSA-N 3 2 339.483 3.067 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc(Cl)c1OC ZINC000414931233 309109745 /nfs/dbraw/zinc/10/97/45/309109745.db2.gz QZDAMAUBLSHAEA-OAHLLOKOSA-N 2 2 326.868 3.225 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CCC[NH2+]1 ZINC000414946815 309110768 /nfs/dbraw/zinc/11/07/68/309110768.db2.gz TUEBVMVLIMQMGY-GOSISDBHSA-N 2 2 334.460 3.412 20 0 EGADLP Cn1c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)nc2cc(C(F)(F)F)ccc21 ZINC000414962315 309111585 /nfs/dbraw/zinc/11/15/85/309111585.db2.gz CIEUJMKLBVGXSJ-AWEZNQCLSA-N 2 2 340.393 3.070 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)ccn1 ZINC000414980071 309112608 /nfs/dbraw/zinc/11/26/08/309112608.db2.gz OVLZAWGDNKBCEG-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415034756 309115657 /nfs/dbraw/zinc/11/56/57/309115657.db2.gz DAHFVDYIKSAGLW-CQSZACIVSA-N 2 2 327.266 3.065 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415075812 309118496 /nfs/dbraw/zinc/11/84/96/309118496.db2.gz AKGOBYIYHFOOCF-DGCLKSJQSA-N 2 2 329.307 3.271 20 0 EGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000415077804 309118630 /nfs/dbraw/zinc/11/86/30/309118630.db2.gz FMJNXADWMLGEKA-WBVHZDCISA-N 3 2 330.451 3.412 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126336 309122183 /nfs/dbraw/zinc/12/21/83/309122183.db2.gz GLKLTKBJZTVQLX-QFIPXVFZSA-N 3 2 349.522 3.127 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415127474 309122469 /nfs/dbraw/zinc/12/24/69/309122469.db2.gz IEISRSVDDIKTOF-WSTZPKSXSA-N 3 2 329.532 3.394 20 0 EGADLP Cc1cc(F)ccc1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415133579 309122847 /nfs/dbraw/zinc/12/28/47/309122847.db2.gz NGXKCEVFQDJZNE-UHFFFAOYSA-N 3 2 341.474 3.217 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]([NH3+])CC)c1 ZINC000415290013 309129979 /nfs/dbraw/zinc/12/99/79/309129979.db2.gz BJFRTZROKYQWLP-OAHLLOKOSA-N 2 2 329.448 3.209 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417376240 309203486 /nfs/dbraw/zinc/20/34/86/309203486.db2.gz DBGLTOLKZLBWIP-GFCCVEGCSA-N 2 2 343.393 3.106 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(C[NH+]2CCSCC2)cc1C ZINC000417852153 309225246 /nfs/dbraw/zinc/22/52/46/309225246.db2.gz NTGZAHQGABYEKS-UHFFFAOYSA-N 2 2 330.501 3.372 20 0 EGADLP Cc1cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)n(C)n1 ZINC000417926181 309228625 /nfs/dbraw/zinc/22/86/25/309228625.db2.gz OPKWVMGGEGQRKO-QGZVFWFLSA-N 2 2 326.488 3.482 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419698648 309271138 /nfs/dbraw/zinc/27/11/38/309271138.db2.gz ZOGAZTCBRSFIPW-LBPRGKRZSA-N 2 2 340.393 3.226 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000420290392 309279600 /nfs/dbraw/zinc/27/96/00/309279600.db2.gz IWAIKTGEWJAPPW-MRXNPFEDSA-N 2 2 339.439 3.006 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@H](C[NH3+])C3)cc2)c1 ZINC000420290392 309279601 /nfs/dbraw/zinc/27/96/01/309279601.db2.gz IWAIKTGEWJAPPW-MRXNPFEDSA-N 2 2 339.439 3.006 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000420290386 309279702 /nfs/dbraw/zinc/27/97/02/309279702.db2.gz IWAIKTGEWJAPPW-INIZCTEOSA-N 2 2 339.439 3.006 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)c1 ZINC000420290386 309279703 /nfs/dbraw/zinc/27/97/03/309279703.db2.gz IWAIKTGEWJAPPW-INIZCTEOSA-N 2 2 339.439 3.006 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301480 309280506 /nfs/dbraw/zinc/28/05/06/309280506.db2.gz FBWQPGDCPLIRFK-APWZRJJASA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301480 309280507 /nfs/dbraw/zinc/28/05/07/309280507.db2.gz FBWQPGDCPLIRFK-APWZRJJASA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000420357284 309283815 /nfs/dbraw/zinc/28/38/15/309283815.db2.gz HCDUANIBGHKKHB-YGRLFVJLSA-N 2 2 346.302 3.134 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000420361223 309284146 /nfs/dbraw/zinc/28/41/46/309284146.db2.gz LXSOOWHPLACVPK-LJQANCHMSA-N 2 2 339.483 3.183 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420363308 309284256 /nfs/dbraw/zinc/28/42/56/309284256.db2.gz JJOIBYVAPAZGLC-IAGOWNOFSA-N 2 2 349.544 3.081 20 0 EGADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)on1 ZINC000420898367 309299790 /nfs/dbraw/zinc/29/97/90/309299790.db2.gz CTNLWFXJJLFWDG-IBGZPJMESA-N 2 2 341.455 3.152 20 0 EGADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)on1 ZINC000420898367 309299791 /nfs/dbraw/zinc/29/97/91/309299791.db2.gz CTNLWFXJJLFWDG-IBGZPJMESA-N 2 2 341.455 3.152 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000420903625 309300144 /nfs/dbraw/zinc/30/01/44/309300144.db2.gz BGWGAKMEXPWBEC-UXHICEINSA-N 2 2 346.540 3.379 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000420903625 309300145 /nfs/dbraw/zinc/30/01/45/309300145.db2.gz BGWGAKMEXPWBEC-UXHICEINSA-N 2 2 346.540 3.379 20 0 EGADLP C[C@@H]1Cc2c([nH+]cn2Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000420918923 309300903 /nfs/dbraw/zinc/30/09/03/309300903.db2.gz ANKPTLXEXJMLPR-DLBZAZTESA-N 2 2 339.483 3.134 20 0 EGADLP C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932032 309302209 /nfs/dbraw/zinc/30/22/09/309302209.db2.gz GXYCQSREHSRCOU-KRWDZBQOSA-N 2 2 340.467 3.417 20 0 EGADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932032 309302210 /nfs/dbraw/zinc/30/22/10/309302210.db2.gz GXYCQSREHSRCOU-KRWDZBQOSA-N 2 2 340.467 3.417 20 0 EGADLP C[C@H](c1ccncc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931217 309302301 /nfs/dbraw/zinc/30/23/01/309302301.db2.gz GGQSCBUUAPYLMC-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931217 309302302 /nfs/dbraw/zinc/30/23/02/309302302.db2.gz GGQSCBUUAPYLMC-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420937351 309302468 /nfs/dbraw/zinc/30/24/68/309302468.db2.gz LFZYNVOIQGQADM-MRXNPFEDSA-N 2 2 345.512 3.211 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420937351 309302469 /nfs/dbraw/zinc/30/24/69/309302469.db2.gz LFZYNVOIQGQADM-MRXNPFEDSA-N 2 2 345.512 3.211 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000420982853 309305607 /nfs/dbraw/zinc/30/56/07/309305607.db2.gz POMORRQBCOLVBG-UHFFFAOYSA-N 2 2 335.923 3.332 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000420982853 309305608 /nfs/dbraw/zinc/30/56/08/309305608.db2.gz POMORRQBCOLVBG-UHFFFAOYSA-N 2 2 335.923 3.332 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccncc1Cl ZINC000421819123 309341252 /nfs/dbraw/zinc/34/12/52/309341252.db2.gz FGGCWIKWTLBWGF-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP COC1([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849910 309343303 /nfs/dbraw/zinc/34/33/03/309343303.db2.gz CPTVLIAJSDBGPN-QUCCMNQESA-N 2 2 346.515 3.215 20 0 EGADLP COC1([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849910 309343304 /nfs/dbraw/zinc/34/33/04/309343304.db2.gz CPTVLIAJSDBGPN-QUCCMNQESA-N 2 2 346.515 3.215 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccco1 ZINC000422200792 309357722 /nfs/dbraw/zinc/35/77/22/309357722.db2.gz KDXWAPAOAPRGPW-CXAGYDPISA-N 2 2 344.459 3.220 20 0 EGADLP COc1sc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Br ZINC000422559453 309361704 /nfs/dbraw/zinc/36/17/04/309361704.db2.gz DAJDEZHUMUVXRC-VWYCJHECSA-N 2 2 347.322 3.324 20 0 EGADLP COc1sc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1Br ZINC000422559453 309361705 /nfs/dbraw/zinc/36/17/05/309361705.db2.gz DAJDEZHUMUVXRC-VWYCJHECSA-N 2 2 347.322 3.324 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422719867 309364970 /nfs/dbraw/zinc/36/49/70/309364970.db2.gz YQJVOXBIUJDBNR-QZTJIDSGSA-N 2 2 327.403 3.047 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422727336 309365389 /nfs/dbraw/zinc/36/53/89/309365389.db2.gz CDKIWFJCQPZAPE-YTQUADARSA-N 2 2 343.540 3.433 20 0 EGADLP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422758251 309366975 /nfs/dbraw/zinc/36/69/75/309366975.db2.gz IOIUSCGIKJIDRX-RAUXBKROSA-N 3 2 347.547 3.238 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000422813173 309369799 /nfs/dbraw/zinc/36/97/99/309369799.db2.gz RPEUHKGCQHFXSC-SGLNWRHMSA-N 3 2 345.531 3.045 20 0 EGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000422889889 309374524 /nfs/dbraw/zinc/37/45/24/309374524.db2.gz QQXTXDWBAIGJQL-SWLSCSKDSA-N 2 2 328.403 3.307 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422916049 309375945 /nfs/dbraw/zinc/37/59/45/309375945.db2.gz ZQKRFQAUOMQCAP-HOCLYGCPSA-N 2 2 337.533 3.090 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422931702 309376725 /nfs/dbraw/zinc/37/67/25/309376725.db2.gz CNMGMBUFNWMKDI-CABCVRRESA-N 2 2 327.266 3.207 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943847 309377425 /nfs/dbraw/zinc/37/74/25/309377425.db2.gz YUIJUXCDCTZSDO-CDHQVMDDSA-N 2 2 328.431 3.272 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422945495 309377498 /nfs/dbraw/zinc/37/74/98/309377498.db2.gz NGRQWEKZRPEOPL-GHMZBOCLSA-N 2 2 335.192 3.020 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423003674 309380311 /nfs/dbraw/zinc/38/03/11/309380311.db2.gz MWSOBPGLNGHYGT-BBRMVZONSA-N 2 2 330.394 3.386 20 0 EGADLP FC(F)COc1ncccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423028248 309381860 /nfs/dbraw/zinc/38/18/60/309381860.db2.gz SLBQINLJNOKUEA-DLBZAZTESA-N 2 2 347.409 3.308 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423034938 309382266 /nfs/dbraw/zinc/38/22/66/309382266.db2.gz QUUXTSFFXOPBHK-IERDGZPVSA-N 2 2 334.467 3.229 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423037049 309382408 /nfs/dbraw/zinc/38/24/08/309382408.db2.gz VJWNAUVZDUNPJA-SJORKVTESA-N 2 2 337.467 3.151 20 0 EGADLP C[C@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000423083079 309384927 /nfs/dbraw/zinc/38/49/27/309384927.db2.gz GDJWXWSLTVYSSP-ZWKOPEQDSA-N 2 2 327.291 3.326 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423088859 309385310 /nfs/dbraw/zinc/38/53/10/309385310.db2.gz RAFKJHDSMBKBMP-FMKPAKJESA-N 2 2 330.394 3.345 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccncc1OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423101183 309385978 /nfs/dbraw/zinc/38/59/78/309385978.db2.gz IGMCQNWLRCIFLX-MOPGFXCFSA-N 2 2 325.456 3.281 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423124524 309386955 /nfs/dbraw/zinc/38/69/55/309386955.db2.gz MQQBPQFIZYERCV-QRWLVFNGSA-N 2 2 342.487 3.235 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423124968 309387088 /nfs/dbraw/zinc/38/70/88/309387088.db2.gz POOBLOQVDVRWSF-GMXVVIOVSA-N 2 2 345.256 3.006 20 0 EGADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H]1CC[NH2+]C1 ZINC000423128616 309387462 /nfs/dbraw/zinc/38/74/62/309387462.db2.gz VWIZRCWHPYQCFT-ABAIWWIYSA-N 2 2 334.261 3.259 20 0 EGADLP FC(F)(F)[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423133910 309387532 /nfs/dbraw/zinc/38/75/32/309387532.db2.gz LIQMGTUSFBRFFG-ZACQAIPSSA-N 2 2 342.405 3.079 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423190731 309389701 /nfs/dbraw/zinc/38/97/01/309389701.db2.gz NZVYLGNOGXBRSP-UAGQMJEPSA-N 2 2 336.451 3.176 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192635 309389861 /nfs/dbraw/zinc/38/98/61/309389861.db2.gz PWOCSLWRBSHRQD-RISCZKNCSA-N 2 2 325.250 3.004 20 0 EGADLP [NH3+]CC[NH2+][C@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000423192010 309389953 /nfs/dbraw/zinc/38/99/53/309389953.db2.gz UZZBBOYIPWGRKK-MRXNPFEDSA-N 2 2 337.236 3.420 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423210960 309390466 /nfs/dbraw/zinc/39/04/66/309390466.db2.gz GUKVLXNOYTZGKU-VNHYZAJKSA-N 2 2 347.894 3.268 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423264988 309392979 /nfs/dbraw/zinc/39/29/79/309392979.db2.gz QLBJMWBVNYEKFA-OXJNMPFZSA-N 2 2 326.488 3.490 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(Br)c1 ZINC000423267115 309393079 /nfs/dbraw/zinc/39/30/79/309393079.db2.gz SQOCMKFHIGAUFT-RYUDHWBXSA-N 2 2 329.282 3.482 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)C1CC1 ZINC000423316727 309394954 /nfs/dbraw/zinc/39/49/54/309394954.db2.gz JZYFVXDQNTXYBZ-HUUCEWRRSA-N 2 2 327.241 3.366 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423344797 309396302 /nfs/dbraw/zinc/39/63/02/309396302.db2.gz YCCLKVBSDONAFX-UGSOOPFHSA-N 2 2 347.894 3.269 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000423366429 309397240 /nfs/dbraw/zinc/39/72/40/309397240.db2.gz LJNYTYCDWPOHGI-LTDCPUDJSA-N 2 2 338.442 3.204 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)CCC[NH2+]1 ZINC000423417003 309399544 /nfs/dbraw/zinc/39/95/44/309399544.db2.gz GEPRREXFUSFCGG-FOIQADDNSA-N 2 2 328.456 3.268 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CCC[NH2+]1 ZINC000423422342 309399629 /nfs/dbraw/zinc/39/96/29/309399629.db2.gz KLCLVOQGVAUEHC-KUHUBIRLSA-N 2 2 332.444 3.169 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(-c2ccccc2)nn1C ZINC000423527724 309405102 /nfs/dbraw/zinc/40/51/02/309405102.db2.gz MOCJMOBWPMFPRH-NBHGPNQESA-N 2 2 346.478 3.493 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423856136 309416895 /nfs/dbraw/zinc/41/68/95/309416895.db2.gz XJXMLICTLXMCED-WMLDXEAASA-N 2 2 336.439 3.058 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000425917245 309494551 /nfs/dbraw/zinc/49/45/51/309494551.db2.gz GMHJFPBREWIINQ-CHWSQXEVSA-N 2 2 335.883 3.077 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000427877268 309537396 /nfs/dbraw/zinc/53/73/96/309537396.db2.gz SKFWTYMPPPIKNU-HOCLYGCPSA-N 2 2 329.444 3.346 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000430588705 309612087 /nfs/dbraw/zinc/61/20/87/309612087.db2.gz AGZSBEULIBGBCE-AWEZNQCLSA-N 2 2 349.784 3.014 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689146 309717852 /nfs/dbraw/zinc/71/78/52/309717852.db2.gz UNTBJCPOHWAOOF-HOTGVXAUSA-N 2 2 346.519 3.092 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000435392592 309731558 /nfs/dbraw/zinc/73/15/58/309731558.db2.gz XJRZCVURMITBEW-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP CC[NH+](CC)CCN(CCOC)c1cc[nH+]c2c(OC)cccc12 ZINC000440650077 309853719 /nfs/dbraw/zinc/85/37/19/309853719.db2.gz MHKZFUYPMYLVKA-UHFFFAOYSA-N 2 2 331.460 3.038 20 0 EGADLP COC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCCC1 ZINC000446757300 309967736 /nfs/dbraw/zinc/96/77/36/309967736.db2.gz AGQFDBPMHLBUMA-QGZVFWFLSA-N 2 2 326.550 3.143 20 0 EGADLP CC1=C(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC(C)(C)C1 ZINC000448832394 310020047 /nfs/dbraw/zinc/02/00/47/310020047.db2.gz CWXKFDZCBKDHHP-UHFFFAOYSA-N 2 2 347.547 3.188 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449078894 310035269 /nfs/dbraw/zinc/03/52/69/310035269.db2.gz WOCKNYODYYHOOY-OAHLLOKOSA-N 2 2 326.469 3.303 20 0 EGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449115341 310038155 /nfs/dbraw/zinc/03/81/55/310038155.db2.gz HDAKMRKIALKOHS-KRWDZBQOSA-N 2 2 328.456 3.049 20 0 EGADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449115341 310038156 /nfs/dbraw/zinc/03/81/56/310038156.db2.gz HDAKMRKIALKOHS-KRWDZBQOSA-N 2 2 328.456 3.049 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1F ZINC000449167234 310041774 /nfs/dbraw/zinc/04/17/74/310041774.db2.gz ISWPMLIFQDGBGT-PMACEKPBSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1F ZINC000449167234 310041775 /nfs/dbraw/zinc/04/17/75/310041775.db2.gz ISWPMLIFQDGBGT-PMACEKPBSA-N 2 2 342.458 3.107 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc2ccccc21 ZINC000449224306 310045731 /nfs/dbraw/zinc/04/57/31/310045731.db2.gz LIGLOFOLGHRSJN-INIZCTEOSA-N 2 2 328.456 3.049 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000449323934 310053666 /nfs/dbraw/zinc/05/36/66/310053666.db2.gz BWJIGUFQINVAFP-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000449323934 310053667 /nfs/dbraw/zinc/05/36/67/310053667.db2.gz BWJIGUFQINVAFP-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@H](C)c1nc2ccccc2s1 ZINC000449385964 310057940 /nfs/dbraw/zinc/05/79/40/310057940.db2.gz GXMZEXRTULBLDL-HRCADAONSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@H](C)c1nc2ccccc2s1 ZINC000449385964 310057941 /nfs/dbraw/zinc/05/79/41/310057941.db2.gz GXMZEXRTULBLDL-HRCADAONSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2nccn21 ZINC000449571509 310072750 /nfs/dbraw/zinc/07/27/50/310072750.db2.gz LTWRQCAWNAGILM-HNAYVOBHSA-N 2 2 342.462 3.325 20 0 EGADLP [NH3+][C@H]1CCC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000449641987 310076890 /nfs/dbraw/zinc/07/68/90/310076890.db2.gz FNILGYVQDPNXAM-HOCLYGCPSA-N 2 2 325.412 3.121 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780526 310086764 /nfs/dbraw/zinc/08/67/64/310086764.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780526 310086765 /nfs/dbraw/zinc/08/67/65/310086765.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780526 310086766 /nfs/dbraw/zinc/08/67/66/310086766.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780526 310086767 /nfs/dbraw/zinc/08/67/67/310086767.db2.gz GFSKAAQRFXXVGL-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP Clc1cc(C[NH+]2CCSCC2)cc(C[NH+]2CCSCC2)c1 ZINC000450264886 310111876 /nfs/dbraw/zinc/11/18/76/310111876.db2.gz HJHCIYDLNYJDJO-UHFFFAOYSA-N 2 2 342.961 3.438 20 0 EGADLP Cc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccn1 ZINC000451181360 310164546 /nfs/dbraw/zinc/16/45/46/310164546.db2.gz FDYBAMLMHJWXNQ-UHFFFAOYSA-N 2 2 344.890 3.085 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109765 310258547 /nfs/dbraw/zinc/25/85/47/310258547.db2.gz AQZNQURXPJTXLX-APWZRJJASA-N 2 2 330.497 3.344 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109765 310258548 /nfs/dbraw/zinc/25/85/48/310258548.db2.gz AQZNQURXPJTXLX-APWZRJJASA-N 2 2 330.497 3.344 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250335 310266671 /nfs/dbraw/zinc/26/66/71/310266671.db2.gz HFOILWGLXUGDDH-GDBMZVCRSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250335 310266672 /nfs/dbraw/zinc/26/66/72/310266672.db2.gz HFOILWGLXUGDDH-GDBMZVCRSA-N 2 2 342.430 3.176 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2ccccc12 ZINC000453261576 310267609 /nfs/dbraw/zinc/26/76/09/310267609.db2.gz RXOXAHDCUPMNLR-SJORKVTESA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2ccccc12 ZINC000453261576 310267610 /nfs/dbraw/zinc/26/76/10/310267610.db2.gz RXOXAHDCUPMNLR-SJORKVTESA-N 2 2 342.483 3.346 20 0 EGADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000453366061 310273243 /nfs/dbraw/zinc/27/32/43/310273243.db2.gz MBXBDGBLCRLHPB-MRXNPFEDSA-N 2 2 343.515 3.270 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454481333 310312030 /nfs/dbraw/zinc/31/20/30/310312030.db2.gz FCCMHZYZYQZUDZ-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454481333 310312031 /nfs/dbraw/zinc/31/20/31/310312031.db2.gz FCCMHZYZYQZUDZ-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c[nH+]1 ZINC000456853912 310425688 /nfs/dbraw/zinc/42/56/88/310425688.db2.gz YHDAVVDWGQSSRG-QGZVFWFLSA-N 2 2 331.847 3.271 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000457614783 310463320 /nfs/dbraw/zinc/46/33/20/310463320.db2.gz MGIFXGNISOUGSK-IAGOWNOFSA-N 2 2 349.523 3.164 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000482164787 310927860 /nfs/dbraw/zinc/92/78/60/310927860.db2.gz QBNFLOWWMHOSOD-OAQYLSRUSA-N 2 2 338.495 3.317 20 0 EGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000485293577 310975582 /nfs/dbraw/zinc/97/55/82/310975582.db2.gz QPPGKZBQYZRKGY-HNAYVOBHSA-N 2 2 347.478 3.397 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000487179611 311013862 /nfs/dbraw/zinc/01/38/62/311013862.db2.gz IWJWPRKCSCNHKP-HNNXBMFYSA-N 2 2 340.895 3.329 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000487179611 311013863 /nfs/dbraw/zinc/01/38/63/311013863.db2.gz IWJWPRKCSCNHKP-HNNXBMFYSA-N 2 2 340.895 3.329 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000488092026 311050900 /nfs/dbraw/zinc/05/09/00/311050900.db2.gz WFACABOJFMEVQL-DOIPELPJSA-N 2 2 342.527 3.487 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492455820 311253059 /nfs/dbraw/zinc/25/30/59/311253059.db2.gz KFYLLPUNQATNGG-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1ccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492455820 311253060 /nfs/dbraw/zinc/25/30/60/311253060.db2.gz KFYLLPUNQATNGG-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810291 311294070 /nfs/dbraw/zinc/29/40/70/311294070.db2.gz HXLFLHZYZFCPFE-OZSKJFCKSA-N 2 2 344.846 3.030 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CC3 ZINC000493050321 311321136 /nfs/dbraw/zinc/32/11/36/311321136.db2.gz BRCSADNMMSOJAO-FOIQADDNSA-N 2 2 343.540 3.361 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000495271439 311546373 /nfs/dbraw/zinc/54/63/73/311546373.db2.gz RTRDZJGGCGFYFW-CVEARBPZSA-N 2 2 336.480 3.089 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)c[nH+]c12 ZINC000495668668 311594105 /nfs/dbraw/zinc/59/41/05/311594105.db2.gz GXEOSAZTPAUYEP-AWEZNQCLSA-N 2 2 332.448 3.036 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495869149 311624015 /nfs/dbraw/zinc/62/40/15/311624015.db2.gz ZNGXYKJQVMPNSC-ARFHVFGLSA-N 2 2 336.480 3.039 20 0 EGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497001729 311799394 /nfs/dbraw/zinc/79/93/94/311799394.db2.gz KERUTVYDEPAIEU-OWCLPIDISA-N 2 2 336.480 3.039 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471535 312049932 /nfs/dbraw/zinc/04/99/32/312049932.db2.gz CWXKNZSDWAUGJW-RBUKOAKNSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471535 312049935 /nfs/dbraw/zinc/04/99/35/312049935.db2.gz CWXKNZSDWAUGJW-RBUKOAKNSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471535 312049939 /nfs/dbraw/zinc/04/99/39/312049939.db2.gz CWXKNZSDWAUGJW-RBUKOAKNSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471535 312049941 /nfs/dbraw/zinc/04/99/41/312049941.db2.gz CWXKNZSDWAUGJW-RBUKOAKNSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482399 312050476 /nfs/dbraw/zinc/05/04/76/312050476.db2.gz SWVHKYYNMSHUQD-MOPGFXCFSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482399 312050479 /nfs/dbraw/zinc/05/04/79/312050479.db2.gz SWVHKYYNMSHUQD-MOPGFXCFSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482399 312050480 /nfs/dbraw/zinc/05/04/80/312050480.db2.gz SWVHKYYNMSHUQD-MOPGFXCFSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482399 312050483 /nfs/dbraw/zinc/05/04/83/312050483.db2.gz SWVHKYYNMSHUQD-MOPGFXCFSA-N 2 2 349.563 3.412 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507347336 312069287 /nfs/dbraw/zinc/06/92/87/312069287.db2.gz JOMTVSXZYDTRMF-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507347336 312069290 /nfs/dbraw/zinc/06/92/90/312069290.db2.gz JOMTVSXZYDTRMF-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191806 /nfs/dbraw/zinc/19/18/06/312191806.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191809 /nfs/dbraw/zinc/19/18/09/312191809.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191810 /nfs/dbraw/zinc/19/18/10/312191810.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652955 312191812 /nfs/dbraw/zinc/19/18/12/312191812.db2.gz CCKWYDZRVJZHAE-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000514977045 312257859 /nfs/dbraw/zinc/25/78/59/312257859.db2.gz QTXBYUSIJZLFRJ-SFHVURJKSA-N 2 2 349.438 3.293 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580926 312331561 /nfs/dbraw/zinc/33/15/61/312331561.db2.gz WSUHTDLLZIFMLI-OAHLLOKOSA-N 2 2 342.405 3.107 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580926 312331563 /nfs/dbraw/zinc/33/15/63/312331563.db2.gz WSUHTDLLZIFMLI-OAHLLOKOSA-N 2 2 342.405 3.107 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580926 312331565 /nfs/dbraw/zinc/33/15/65/312331565.db2.gz WSUHTDLLZIFMLI-OAHLLOKOSA-N 2 2 342.405 3.107 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580926 312331568 /nfs/dbraw/zinc/33/15/68/312331568.db2.gz WSUHTDLLZIFMLI-OAHLLOKOSA-N 2 2 342.405 3.107 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000087790505 454089291 /nfs/dbraw/zinc/08/92/91/454089291.db2.gz GBYHAABKJKOEND-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000087790505 454089293 /nfs/dbraw/zinc/08/92/93/454089293.db2.gz GBYHAABKJKOEND-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccccc4NC3=O)CC2)C1 ZINC000528001298 312994965 /nfs/dbraw/zinc/99/49/65/312994965.db2.gz OYQGGZQYJUZNKB-MOXGXCLJSA-N 2 2 341.499 3.183 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)C[C@H](C)O1 ZINC000529533938 313347196 /nfs/dbraw/zinc/34/71/96/313347196.db2.gz MWRZKJPHTDVUMJ-IYBDPMFKSA-N 2 2 343.446 3.120 20 0 EGADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccc(F)cc1 ZINC000534863714 314003327 /nfs/dbraw/zinc/00/33/27/314003327.db2.gz KQLNBOYZWMRDQJ-UHFFFAOYSA-N 2 2 342.418 3.126 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)O[C@@H](C)C2 ZINC000536678534 314138175 /nfs/dbraw/zinc/13/81/75/314138175.db2.gz CALXDVHZJXOMJC-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)O[C@@H](C)C2 ZINC000536678534 314138180 /nfs/dbraw/zinc/13/81/80/314138180.db2.gz CALXDVHZJXOMJC-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)O[C@@H](C)C2 ZINC000536678534 314138183 /nfs/dbraw/zinc/13/81/83/314138183.db2.gz CALXDVHZJXOMJC-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)O[C@@H](C)C2 ZINC000536678534 314138187 /nfs/dbraw/zinc/13/81/87/314138187.db2.gz CALXDVHZJXOMJC-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C)[C@@H]1CCOC1 ZINC000537408104 314179031 /nfs/dbraw/zinc/17/90/31/314179031.db2.gz QWLROPAVEFIMEE-IEBWSBKVSA-N 2 2 331.504 3.364 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000537967688 314221157 /nfs/dbraw/zinc/22/11/57/314221157.db2.gz VSXZYNFBJYDZKN-BFQNTYOBSA-N 2 2 341.293 3.276 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000537967688 314221160 /nfs/dbraw/zinc/22/11/60/314221160.db2.gz VSXZYNFBJYDZKN-BFQNTYOBSA-N 2 2 341.293 3.276 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068951 314293587 /nfs/dbraw/zinc/29/35/87/314293587.db2.gz JZRMAFAIAYCODQ-DOMZBBRYSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068951 314293590 /nfs/dbraw/zinc/29/35/90/314293590.db2.gz JZRMAFAIAYCODQ-DOMZBBRYSA-N 2 2 328.378 3.157 20 0 EGADLP CCCc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C(C)C)cc1 ZINC000540301717 314373397 /nfs/dbraw/zinc/37/33/97/314373397.db2.gz NTQDLOQDRYAERG-UXHICEINSA-N 2 2 345.531 3.266 20 0 EGADLP CCCc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C(C)C)cc1 ZINC000540301717 314373399 /nfs/dbraw/zinc/37/33/99/314373399.db2.gz NTQDLOQDRYAERG-UXHICEINSA-N 2 2 345.531 3.266 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000548587445 315023869 /nfs/dbraw/zinc/02/38/69/315023869.db2.gz HSZQLVZHOHWSKH-GOSISDBHSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000548587445 315023871 /nfs/dbraw/zinc/02/38/71/315023871.db2.gz HSZQLVZHOHWSKH-GOSISDBHSA-N 2 2 339.886 3.079 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000549908603 315109896 /nfs/dbraw/zinc/10/98/96/315109896.db2.gz LTNDVGDOCMITHQ-LJQANCHMSA-N 2 2 346.421 3.133 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000549908603 315109898 /nfs/dbraw/zinc/10/98/98/315109898.db2.gz LTNDVGDOCMITHQ-LJQANCHMSA-N 2 2 346.421 3.133 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@@H+]1C1CC1 ZINC000549923419 315110888 /nfs/dbraw/zinc/11/08/88/315110888.db2.gz KFAVLEJHNIHPSG-GOEBONIOSA-N 2 2 346.544 3.269 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@H+]1C1CC1 ZINC000549923419 315110892 /nfs/dbraw/zinc/11/08/92/315110892.db2.gz KFAVLEJHNIHPSG-GOEBONIOSA-N 2 2 346.544 3.269 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000553889546 315287317 /nfs/dbraw/zinc/28/73/17/315287317.db2.gz NFICJBMKOSQCCA-UHFFFAOYSA-N 2 2 326.444 3.179 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)sc2c1 ZINC000554886448 315354485 /nfs/dbraw/zinc/35/44/85/315354485.db2.gz KUZFECNSXKCKRW-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)sc2c1 ZINC000554886448 315354488 /nfs/dbraw/zinc/35/44/88/315354488.db2.gz KUZFECNSXKCKRW-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)sc2c1 ZINC000554886448 315354490 /nfs/dbraw/zinc/35/44/90/315354490.db2.gz KUZFECNSXKCKRW-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)sc2c1 ZINC000554886448 315354491 /nfs/dbraw/zinc/35/44/91/315354491.db2.gz KUZFECNSXKCKRW-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](C)c3ccccc3)c2cc1C ZINC000556090200 315415253 /nfs/dbraw/zinc/41/52/53/315415253.db2.gz JQCGCYBCCOESFV-HKUYNNGSSA-N 2 2 337.467 3.407 20 0 EGADLP CO[C@H](Cc1ccccc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000556249096 315424547 /nfs/dbraw/zinc/42/45/47/315424547.db2.gz JEJSRJODSMLBJS-LJQANCHMSA-N 2 2 325.456 3.216 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(F)cn1 ZINC000563737040 316063544 /nfs/dbraw/zinc/06/35/44/316063544.db2.gz CJRPEOSTTUJGSC-QWHCGFSZSA-N 2 2 346.450 3.389 20 0 EGADLP CCCCCNC(=O)C1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000563839125 316076885 /nfs/dbraw/zinc/07/68/85/316076885.db2.gz AKLPAHZUIBAHNK-UHFFFAOYSA-N 2 2 331.504 3.341 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000564490851 316158716 /nfs/dbraw/zinc/15/87/16/316158716.db2.gz JTCXCUNFFVYHJL-RTBURBONSA-N 2 2 345.531 3.278 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000564490851 316158719 /nfs/dbraw/zinc/15/87/19/316158719.db2.gz JTCXCUNFFVYHJL-RTBURBONSA-N 2 2 345.531 3.278 20 0 EGADLP Oc1cc(F)cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000564507231 316159651 /nfs/dbraw/zinc/15/96/51/316159651.db2.gz ULUOPPQGRVVGOP-MOPGFXCFSA-N 2 2 340.442 3.485 20 0 EGADLP Oc1cc(F)cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000564507231 316159657 /nfs/dbraw/zinc/15/96/57/316159657.db2.gz ULUOPPQGRVVGOP-MOPGFXCFSA-N 2 2 340.442 3.485 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2n1C ZINC000565191858 316287074 /nfs/dbraw/zinc/28/70/74/316287074.db2.gz WPKZCTLCAWYQOD-KRWDZBQOSA-N 2 2 348.450 3.342 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2n1C ZINC000565191858 316287080 /nfs/dbraw/zinc/28/70/80/316287080.db2.gz WPKZCTLCAWYQOD-KRWDZBQOSA-N 2 2 348.450 3.342 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000126456668 454895728 /nfs/dbraw/zinc/89/57/28/454895728.db2.gz KHSGWWJRXAVADK-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000568998666 316852938 /nfs/dbraw/zinc/85/29/38/316852938.db2.gz JREYBVJVFJXCSP-WMLDXEAASA-N 2 2 326.444 3.287 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)cc2)c1C ZINC000569108495 316867167 /nfs/dbraw/zinc/86/71/67/316867167.db2.gz KVXHLOVEPJNOGL-INIZCTEOSA-N 2 2 349.438 3.195 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000569828867 316970654 /nfs/dbraw/zinc/97/06/54/316970654.db2.gz JNMHCMBWIKPSHC-MRXNPFEDSA-N 2 2 339.439 3.478 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000570154820 317015106 /nfs/dbraw/zinc/01/51/06/317015106.db2.gz FTLRAZHUHHNBOX-UTKZUKDTSA-N 2 2 335.451 3.186 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572085721 317287619 /nfs/dbraw/zinc/28/76/19/317287619.db2.gz BFKRALDVTCHHET-MDZRGWNJSA-N 2 2 332.488 3.162 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)CCC3CC[NH2+]CC3)ccc2n1C1CC1 ZINC000573485363 317491412 /nfs/dbraw/zinc/49/14/12/317491412.db2.gz LYLNYMFKVDZLAU-UHFFFAOYSA-N 2 2 340.471 3.076 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000230307792 456135052 /nfs/dbraw/zinc/13/50/52/456135052.db2.gz SLJUIXAMPMTRPN-UHFFFAOYSA-N 2 2 344.203 3.494 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000174510130 323307317 /nfs/dbraw/zinc/30/73/17/323307317.db2.gz PABZPPRMLUYVPZ-ROUUACIJSA-N 2 2 329.419 3.449 20 0 EGADLP CCCCc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175067497 323314834 /nfs/dbraw/zinc/31/48/34/323314834.db2.gz YRWOJUUGUIJEOC-UHFFFAOYSA-N 2 2 346.519 3.177 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177581347 323342921 /nfs/dbraw/zinc/34/29/21/323342921.db2.gz UZEUFMJHDCPSJP-SFHVURJKSA-N 2 2 339.414 3.359 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000178682525 323358978 /nfs/dbraw/zinc/35/89/78/323358978.db2.gz PDJFCNJFUBVNMC-KRWDZBQOSA-N 2 2 345.531 3.060 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178682525 323358983 /nfs/dbraw/zinc/35/89/83/323358983.db2.gz PDJFCNJFUBVNMC-KRWDZBQOSA-N 2 2 345.531 3.060 20 0 EGADLP C[C@@H](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)n1cc[nH+]c1 ZINC000351436191 324235487 /nfs/dbraw/zinc/23/54/87/324235487.db2.gz KBUQCBSDVPLWMU-HNNXBMFYSA-N 2 2 337.427 3.333 20 0 EGADLP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CCC1 ZINC000575053960 324405678 /nfs/dbraw/zinc/40/56/78/324405678.db2.gz BHCBZFADATYBEB-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc3c(c1)OCCCCO3)CCCC2 ZINC000576788246 324680753 /nfs/dbraw/zinc/68/07/53/324680753.db2.gz YCRRITGYIHCKDZ-UHFFFAOYSA-N 2 2 327.428 3.061 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000578746311 325012663 /nfs/dbraw/zinc/01/26/63/325012663.db2.gz MWLNVBOSJYDQSY-PMACEKPBSA-N 2 2 343.515 3.179 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000578746311 325012665 /nfs/dbraw/zinc/01/26/65/325012665.db2.gz MWLNVBOSJYDQSY-PMACEKPBSA-N 2 2 343.515 3.179 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000579370654 325101924 /nfs/dbraw/zinc/10/19/24/325101924.db2.gz NYKRXNLYRJFWAF-MRXNPFEDSA-N 2 2 336.907 3.458 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000579370654 325101925 /nfs/dbraw/zinc/10/19/25/325101925.db2.gz NYKRXNLYRJFWAF-MRXNPFEDSA-N 2 2 336.907 3.458 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000579931743 325178371 /nfs/dbraw/zinc/17/83/71/325178371.db2.gz RYYNHGYFDCMRED-VXGBXAGGSA-N 2 2 331.382 3.010 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000581132747 325333484 /nfs/dbraw/zinc/33/34/84/325333484.db2.gz OCVZPQZPKHRQPH-INIZCTEOSA-N 2 2 339.439 3.101 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000581132747 325333488 /nfs/dbraw/zinc/33/34/88/325333488.db2.gz OCVZPQZPKHRQPH-INIZCTEOSA-N 2 2 339.439 3.101 20 0 EGADLP C[C@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC000581492953 325365804 /nfs/dbraw/zinc/36/58/04/325365804.db2.gz YXCSNEPOUFHLON-CVEARBPZSA-N 2 2 328.460 3.080 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000581492956 325366143 /nfs/dbraw/zinc/36/61/43/325366143.db2.gz YXCSNEPOUFHLON-JKSUJKDBSA-N 2 2 328.460 3.080 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3CCC(F)(F)CC3)c2cc1C ZINC000582481857 325445033 /nfs/dbraw/zinc/44/50/33/325445033.db2.gz JTGMWAUWNVFOSO-OAHLLOKOSA-N 2 2 337.414 3.182 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[C@H]([NH3+])C4)cc3)[nH+]c12 ZINC000237858997 455225838 /nfs/dbraw/zinc/22/58/38/455225838.db2.gz NZCMSTSQZXJMEB-CVEARBPZSA-N 2 2 334.423 3.376 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000432420795 458737337 /nfs/dbraw/zinc/73/73/37/458737337.db2.gz MQMMYIFAEFYTNI-KGLIPLIRSA-N 2 2 325.522 3.165 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000432420795 458737345 /nfs/dbraw/zinc/73/73/45/458737345.db2.gz MQMMYIFAEFYTNI-KGLIPLIRSA-N 2 2 325.522 3.165 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@H](c1[nH+]ccn1C)C1CC1)Cc1ccccc1 ZINC000183244210 455259105 /nfs/dbraw/zinc/25/91/05/455259105.db2.gz DGXBHJXBYRKPTK-UXHICEINSA-N 2 2 340.515 3.414 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631868508 460584541 /nfs/dbraw/zinc/58/45/41/460584541.db2.gz IWBVYXXVXAPHKV-NQIIRXRSSA-N 2 2 335.451 3.171 20 0 EGADLP Cc1ccn2cc(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)[nH+]c2c1 ZINC000066410615 453842407 /nfs/dbraw/zinc/84/24/07/453842407.db2.gz GMWAITIQPNHLFH-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000075158626 453867979 /nfs/dbraw/zinc/86/79/79/453867979.db2.gz ANDPCXKOQICUNV-QGZVFWFLSA-N 2 2 340.471 3.127 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000075158626 453867982 /nfs/dbraw/zinc/86/79/82/453867982.db2.gz ANDPCXKOQICUNV-QGZVFWFLSA-N 2 2 340.471 3.127 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000042063741 453992194 /nfs/dbraw/zinc/99/21/94/453992194.db2.gz YQPRTLUUOCAVTL-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057154521 454107192 /nfs/dbraw/zinc/10/71/92/454107192.db2.gz SGRLCIGJSVQOHG-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057154521 454107194 /nfs/dbraw/zinc/10/71/94/454107194.db2.gz SGRLCIGJSVQOHG-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686985 454114472 /nfs/dbraw/zinc/11/44/72/454114472.db2.gz XPIYVKMQFVQZBV-JQWIXIFHSA-N 2 2 327.241 3.476 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686985 454114474 /nfs/dbraw/zinc/11/44/74/454114474.db2.gz XPIYVKMQFVQZBV-JQWIXIFHSA-N 2 2 327.241 3.476 20 0 EGADLP FC(F)Oc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710539 454136350 /nfs/dbraw/zinc/13/63/50/454136350.db2.gz PUHFNCVOIWWALE-UHFFFAOYSA-N 2 2 347.409 3.437 20 0 EGADLP COc1ccc(OCC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057599800 454137280 /nfs/dbraw/zinc/13/72/80/454137280.db2.gz ZHERHKNHZNEZKJ-UHFFFAOYSA-N 2 2 337.423 3.392 20 0 EGADLP COc1ccc(OCC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000057599800 454137282 /nfs/dbraw/zinc/13/72/82/454137282.db2.gz ZHERHKNHZNEZKJ-UHFFFAOYSA-N 2 2 337.423 3.392 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000057829900 454150195 /nfs/dbraw/zinc/15/01/95/454150195.db2.gz GDZRDEVOVGENOC-ROUUACIJSA-N 2 2 345.512 3.160 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000057829900 454150197 /nfs/dbraw/zinc/15/01/97/454150197.db2.gz GDZRDEVOVGENOC-ROUUACIJSA-N 2 2 345.512 3.160 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(SC)cc1OC ZINC000077988608 454174292 /nfs/dbraw/zinc/17/42/92/454174292.db2.gz NXRJKRQMUXGYRB-UHFFFAOYSA-N 2 2 336.501 3.142 20 0 EGADLP Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119207352 454178946 /nfs/dbraw/zinc/17/89/46/454178946.db2.gz UQBBYHDBPRAYAK-SFHVURJKSA-N 2 2 338.455 3.376 20 0 EGADLP Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119207352 454178952 /nfs/dbraw/zinc/17/89/52/454178952.db2.gz UQBBYHDBPRAYAK-SFHVURJKSA-N 2 2 338.455 3.376 20 0 EGADLP COc1cc2c(cc1C[NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)O[C@@H](C)C2 ZINC000089702115 454179617 /nfs/dbraw/zinc/17/96/17/454179617.db2.gz FTHVANLQCCQLHK-LSDHHAIUSA-N 2 2 341.455 3.191 20 0 EGADLP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]c(C)c2)[NH+]2CCCC2)o1 ZINC000119253321 454180919 /nfs/dbraw/zinc/18/09/19/454180919.db2.gz GFNXQMGYYXLMRQ-INIZCTEOSA-N 2 2 328.416 3.250 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@@H+]1C1CC1 ZINC000119762384 454217709 /nfs/dbraw/zinc/21/77/09/454217709.db2.gz QKOIRAMJNDUOJP-WFASDCNBSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@H+]1C1CC1 ZINC000119762384 454217712 /nfs/dbraw/zinc/21/77/12/454217712.db2.gz QKOIRAMJNDUOJP-WFASDCNBSA-N 2 2 346.862 3.147 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000090003919 454260150 /nfs/dbraw/zinc/26/01/50/454260150.db2.gz WWBQYUZIGBZIBP-LLVKDONJSA-N 2 2 344.406 3.350 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000090003919 454260156 /nfs/dbraw/zinc/26/01/56/454260156.db2.gz WWBQYUZIGBZIBP-LLVKDONJSA-N 2 2 344.406 3.350 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000090003994 454260987 /nfs/dbraw/zinc/26/09/87/454260987.db2.gz SBRGNCSFOLEWLV-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000090003994 454260991 /nfs/dbraw/zinc/26/09/91/454260991.db2.gz SBRGNCSFOLEWLV-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000090045539 454265536 /nfs/dbraw/zinc/26/55/36/454265536.db2.gz ZTZGSWMBKMINQT-NUEKZKHPSA-N 2 2 328.485 3.483 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000090045539 454265538 /nfs/dbraw/zinc/26/55/38/454265538.db2.gz ZTZGSWMBKMINQT-NUEKZKHPSA-N 2 2 328.485 3.483 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000090047713 454266853 /nfs/dbraw/zinc/26/68/53/454266853.db2.gz URWSDRXYDGMOML-KBPBESRZSA-N 2 2 346.393 3.347 20 0 EGADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120211941 454272476 /nfs/dbraw/zinc/27/24/76/454272476.db2.gz DNKAMPHLSIPFIW-KRWDZBQOSA-N 2 2 335.411 3.022 20 0 EGADLP c1coc(-c2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cs2)c1 ZINC000131936209 454299329 /nfs/dbraw/zinc/29/93/29/454299329.db2.gz MOEMYFWEGXFWTO-HNNXBMFYSA-N 2 2 327.409 3.451 20 0 EGADLP c1coc(-c2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cs2)c1 ZINC000131936209 454299330 /nfs/dbraw/zinc/29/93/30/454299330.db2.gz MOEMYFWEGXFWTO-HNNXBMFYSA-N 2 2 327.409 3.451 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000090526229 454317277 /nfs/dbraw/zinc/31/72/77/454317277.db2.gz UCAAYFLOHAWCDO-AGRHKRQWSA-N 2 2 338.442 3.383 20 0 EGADLP COc1cc(C)cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000090723765 454339339 /nfs/dbraw/zinc/33/93/39/454339339.db2.gz UKPZPYPYJLICEQ-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP Cc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)nc(C)[nH+]1 ZINC000047511372 454379885 /nfs/dbraw/zinc/37/98/85/454379885.db2.gz SCFPBKLEIAJFSQ-HZPDHXFCSA-N 2 2 340.471 3.315 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000121770299 454475287 /nfs/dbraw/zinc/47/52/87/454475287.db2.gz KNTOBEIQOGYPKD-JKSUJKDBSA-N 2 2 337.533 3.122 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000091892670 454486065 /nfs/dbraw/zinc/48/60/65/454486065.db2.gz DWPBRNXWOUNVDD-MSOLQXFVSA-N 2 2 328.435 3.274 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000091892670 454486066 /nfs/dbraw/zinc/48/60/66/454486066.db2.gz DWPBRNXWOUNVDD-MSOLQXFVSA-N 2 2 328.435 3.274 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000091892670 454486067 /nfs/dbraw/zinc/48/60/67/454486067.db2.gz DWPBRNXWOUNVDD-MSOLQXFVSA-N 2 2 328.435 3.274 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000091892670 454486070 /nfs/dbraw/zinc/48/60/70/454486070.db2.gz DWPBRNXWOUNVDD-MSOLQXFVSA-N 2 2 328.435 3.274 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000092118948 454526148 /nfs/dbraw/zinc/52/61/48/454526148.db2.gz BNVGARNCKUKAEO-KKUMJFAQSA-N 2 2 326.444 3.287 20 0 EGADLP CO[C@@H](C)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000191140130 455451687 /nfs/dbraw/zinc/45/16/87/455451687.db2.gz KAKDFKMMTCOWTJ-INIZCTEOSA-N 2 2 339.439 3.346 20 0 EGADLP CC[C@@]1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCC[NH2+]1 ZINC000134578714 454563185 /nfs/dbraw/zinc/56/31/85/454563185.db2.gz AWVJUZUDOCUIMY-FQEVSTJZSA-N 2 2 338.455 3.357 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104359674 454582923 /nfs/dbraw/zinc/58/29/23/454582923.db2.gz VECYHZWBFXRMJU-INIZCTEOSA-N 2 2 325.294 3.236 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104359674 454582927 /nfs/dbraw/zinc/58/29/27/454582927.db2.gz VECYHZWBFXRMJU-INIZCTEOSA-N 2 2 325.294 3.236 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(Nc3nc4ccccc4s3)CC2)CC1 ZINC000050954564 454602990 /nfs/dbraw/zinc/60/29/90/454602990.db2.gz ZWHBIDDNLSRIKP-UHFFFAOYSA-N 2 2 330.501 3.267 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2cc1C ZINC000051085572 454609038 /nfs/dbraw/zinc/60/90/38/454609038.db2.gz UDQZLWTXUNAQLG-IBGZPJMESA-N 2 2 335.451 3.072 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2cc1C ZINC000051085572 454609042 /nfs/dbraw/zinc/60/90/42/454609042.db2.gz UDQZLWTXUNAQLG-IBGZPJMESA-N 2 2 335.451 3.072 20 0 EGADLP Clc1cc(Br)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000135123314 454635764 /nfs/dbraw/zinc/63/57/64/454635764.db2.gz QMWIFRSWWMBENJ-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP CC(C)OC(=O)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000135132002 454637528 /nfs/dbraw/zinc/63/75/28/454637528.db2.gz RZBBVAQTFBZKCE-UHFFFAOYSA-N 2 2 327.428 3.285 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961606 454658925 /nfs/dbraw/zinc/65/89/25/454658925.db2.gz QYRZBSGCDYIDLG-CQSZACIVSA-N 2 2 344.484 3.340 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961606 454658927 /nfs/dbraw/zinc/65/89/27/454658927.db2.gz QYRZBSGCDYIDLG-CQSZACIVSA-N 2 2 344.484 3.340 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123790266 454675510 /nfs/dbraw/zinc/67/55/10/454675510.db2.gz CSNSSVSWNYEQNH-QGZVFWFLSA-N 2 2 343.471 3.152 20 0 EGADLP COc1ccc(OCCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123790266 454675515 /nfs/dbraw/zinc/67/55/15/454675515.db2.gz CSNSSVSWNYEQNH-QGZVFWFLSA-N 2 2 343.471 3.152 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000106366618 454692949 /nfs/dbraw/zinc/69/29/49/454692949.db2.gz CNXYRSBQBVYYBA-UHFFFAOYSA-N 2 2 326.868 3.321 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]CCCCNc3cccc[nH+]3)c(C)n2n1 ZINC000093404791 454712852 /nfs/dbraw/zinc/71/28/52/454712852.db2.gz JKEQHVAKEYXDJO-HNNXBMFYSA-N 2 2 338.459 3.284 20 0 EGADLP COc1ccccc1C[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124344606 454720799 /nfs/dbraw/zinc/72/07/99/454720799.db2.gz KTPXDGUOOZPJDJ-INIZCTEOSA-N 2 2 325.456 3.280 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563926 454721032 /nfs/dbraw/zinc/72/10/32/454721032.db2.gz FEXLPZCAEYAOBF-QGZVFWFLSA-N 2 2 348.487 3.163 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563926 454721035 /nfs/dbraw/zinc/72/10/35/454721035.db2.gz FEXLPZCAEYAOBF-QGZVFWFLSA-N 2 2 348.487 3.163 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741932 454731808 /nfs/dbraw/zinc/73/18/08/454731808.db2.gz UXQCZIAQZSPYHR-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741932 454731811 /nfs/dbraw/zinc/73/18/11/454731811.db2.gz UXQCZIAQZSPYHR-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741932 454731812 /nfs/dbraw/zinc/73/18/12/454731812.db2.gz UXQCZIAQZSPYHR-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741932 454731815 /nfs/dbraw/zinc/73/18/15/454731815.db2.gz UXQCZIAQZSPYHR-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3C)co2)cc1 ZINC000136294772 454733782 /nfs/dbraw/zinc/73/37/82/454733782.db2.gz FIZCGHQNSYFTJA-UHFFFAOYSA-N 2 2 340.427 3.377 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)O[C@H](C)C2 ZINC000093865713 454741095 /nfs/dbraw/zinc/74/10/95/454741095.db2.gz MNSYUDJKPZRKHD-KDOFPFPSSA-N 2 2 340.423 3.067 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)O[C@H](C)C2 ZINC000093865713 454741097 /nfs/dbraw/zinc/74/10/97/454741097.db2.gz MNSYUDJKPZRKHD-KDOFPFPSSA-N 2 2 340.423 3.067 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cncc(F)c1 ZINC000124689687 454760516 /nfs/dbraw/zinc/76/05/16/454760516.db2.gz XOGTUAUJQSPZKV-KRWDZBQOSA-N 2 2 342.462 3.084 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124758024 454767657 /nfs/dbraw/zinc/76/76/57/454767657.db2.gz IVFXWWFZVNHLHD-RCLSDMTESA-N 2 2 349.563 3.218 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124758024 454767655 /nfs/dbraw/zinc/76/76/55/454767655.db2.gz IVFXWWFZVNHLHD-RCLSDMTESA-N 2 2 349.563 3.218 20 0 EGADLP COCC[N@H+](C)CCCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000162567976 454785082 /nfs/dbraw/zinc/78/50/82/454785082.db2.gz ATRPRPGPZFAFKV-UHFFFAOYSA-N 2 2 330.476 3.138 20 0 EGADLP COCC[N@@H+](C)CCCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000162567976 454785087 /nfs/dbraw/zinc/78/50/87/454785087.db2.gz ATRPRPGPZFAFKV-UHFFFAOYSA-N 2 2 330.476 3.138 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(C)cc1 ZINC000635010707 460654505 /nfs/dbraw/zinc/65/45/05/460654505.db2.gz KZDXTICZVSVJML-RDJZCZTQSA-N 2 2 341.503 3.313 20 0 EGADLP CC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCOC1 ZINC000163035707 454818402 /nfs/dbraw/zinc/81/84/02/454818402.db2.gz DWFHGHXADLAEMF-SJORKVTESA-N 2 2 326.550 3.143 20 0 EGADLP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC000153697520 454822141 /nfs/dbraw/zinc/82/21/41/454822141.db2.gz JDJKPFBLSBQDCS-MRXNPFEDSA-N 2 2 334.533 3.027 20 0 EGADLP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC000153697520 454822142 /nfs/dbraw/zinc/82/21/42/454822142.db2.gz JDJKPFBLSBQDCS-MRXNPFEDSA-N 2 2 334.533 3.027 20 0 EGADLP c1coc([C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N2CCCCC2)c1 ZINC000154006311 454856256 /nfs/dbraw/zinc/85/62/56/454856256.db2.gz RCEYHSJDAYJJSH-LJQANCHMSA-N 2 2 331.504 3.271 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@@H+]1C ZINC000164323207 454879585 /nfs/dbraw/zinc/87/95/85/454879585.db2.gz GFQZEYBPIYHNRE-HKUYNNGSSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@H+]1C ZINC000164323207 454879588 /nfs/dbraw/zinc/87/95/88/454879588.db2.gz GFQZEYBPIYHNRE-HKUYNNGSSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337790 454880699 /nfs/dbraw/zinc/88/06/99/454880699.db2.gz DXYICPSWXBTLDY-QWFCFKBJSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337790 454880701 /nfs/dbraw/zinc/88/07/01/454880701.db2.gz DXYICPSWXBTLDY-QWFCFKBJSA-N 2 2 340.515 3.334 20 0 EGADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659271 454894012 /nfs/dbraw/zinc/89/40/12/454894012.db2.gz KLBVLDSJFYQSTR-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659271 454894016 /nfs/dbraw/zinc/89/40/16/454894016.db2.gz KLBVLDSJFYQSTR-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659271 454894020 /nfs/dbraw/zinc/89/40/20/454894020.db2.gz KLBVLDSJFYQSTR-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659271 454894023 /nfs/dbraw/zinc/89/40/23/454894023.db2.gz KLBVLDSJFYQSTR-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(I)cc1 ZINC000154623681 454913877 /nfs/dbraw/zinc/91/38/77/454913877.db2.gz NWRVJPBCCRZICG-SMDDNHRTSA-N 2 2 344.240 3.036 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(I)cc1 ZINC000154623681 454913881 /nfs/dbraw/zinc/91/38/81/454913881.db2.gz NWRVJPBCCRZICG-SMDDNHRTSA-N 2 2 344.240 3.036 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934239 454939175 /nfs/dbraw/zinc/93/91/75/454939175.db2.gz RQTNHILIKPLAAK-ZWKOTPCHSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934239 454939176 /nfs/dbraw/zinc/93/91/76/454939176.db2.gz RQTNHILIKPLAAK-ZWKOTPCHSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934239 454939181 /nfs/dbraw/zinc/93/91/81/454939181.db2.gz RQTNHILIKPLAAK-ZWKOTPCHSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934239 454939183 /nfs/dbraw/zinc/93/91/83/454939183.db2.gz RQTNHILIKPLAAK-ZWKOTPCHSA-N 2 2 337.552 3.125 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462529 454955822 /nfs/dbraw/zinc/95/58/22/454955822.db2.gz NWLJETDNLJTXKN-MAUKXSAKSA-N 2 2 328.460 3.179 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462529 454955826 /nfs/dbraw/zinc/95/58/26/454955826.db2.gz NWLJETDNLJTXKN-MAUKXSAKSA-N 2 2 328.460 3.179 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480196 454956397 /nfs/dbraw/zinc/95/63/97/454956397.db2.gz NGAIFYKFSVTFEJ-HZPDHXFCSA-N 2 2 331.504 3.195 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480196 454956401 /nfs/dbraw/zinc/95/64/01/454956401.db2.gz NGAIFYKFSVTFEJ-HZPDHXFCSA-N 2 2 331.504 3.195 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000151626491 455009369 /nfs/dbraw/zinc/00/93/69/455009369.db2.gz HQZLVASIDKICHG-INIZCTEOSA-N 2 2 336.501 3.293 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000151626491 455009371 /nfs/dbraw/zinc/00/93/71/455009371.db2.gz HQZLVASIDKICHG-INIZCTEOSA-N 2 2 336.501 3.293 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171466 455016661 /nfs/dbraw/zinc/01/66/61/455016661.db2.gz ROMSYJASGGFIBG-KUHUBIRLSA-N 2 2 346.446 3.141 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171466 455016664 /nfs/dbraw/zinc/01/66/64/455016664.db2.gz ROMSYJASGGFIBG-KUHUBIRLSA-N 2 2 346.446 3.141 20 0 EGADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171466 455016666 /nfs/dbraw/zinc/01/66/66/455016666.db2.gz ROMSYJASGGFIBG-KUHUBIRLSA-N 2 2 346.446 3.141 20 0 EGADLP Fc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171466 455016669 /nfs/dbraw/zinc/01/66/69/455016669.db2.gz ROMSYJASGGFIBG-KUHUBIRLSA-N 2 2 346.446 3.141 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000157327015 455184490 /nfs/dbraw/zinc/18/44/90/455184490.db2.gz UIYSRYHTEYLXSW-AZUAARDMSA-N 2 2 341.499 3.132 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000157327015 455184492 /nfs/dbraw/zinc/18/44/92/455184492.db2.gz UIYSRYHTEYLXSW-AZUAARDMSA-N 2 2 341.499 3.132 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442155 455300326 /nfs/dbraw/zinc/30/03/26/455300326.db2.gz HVBINEDKFBSMQA-TZIWHRDSSA-N 2 2 343.515 3.060 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442155 455300327 /nfs/dbraw/zinc/30/03/27/455300327.db2.gz HVBINEDKFBSMQA-TZIWHRDSSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442155 455300330 /nfs/dbraw/zinc/30/03/30/455300330.db2.gz HVBINEDKFBSMQA-TZIWHRDSSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442155 455300332 /nfs/dbraw/zinc/30/03/32/455300332.db2.gz HVBINEDKFBSMQA-TZIWHRDSSA-N 2 2 343.515 3.060 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447810 455303329 /nfs/dbraw/zinc/30/33/29/455303329.db2.gz MJVPFKJXEBOFSA-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447810 455303335 /nfs/dbraw/zinc/30/33/35/455303335.db2.gz MJVPFKJXEBOFSA-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460730 455307331 /nfs/dbraw/zinc/30/73/31/455307331.db2.gz VYVVGHFEGMESFJ-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460730 455307335 /nfs/dbraw/zinc/30/73/35/455307335.db2.gz VYVVGHFEGMESFJ-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460730 455307341 /nfs/dbraw/zinc/30/73/41/455307341.db2.gz VYVVGHFEGMESFJ-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460730 455307347 /nfs/dbraw/zinc/30/73/47/455307347.db2.gz VYVVGHFEGMESFJ-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000245511345 455318738 /nfs/dbraw/zinc/31/87/38/455318738.db2.gz MFUMNRWZHRPHJJ-YWZLYKJASA-N 2 2 332.463 3.388 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000245511345 455318741 /nfs/dbraw/zinc/31/87/41/455318741.db2.gz MFUMNRWZHRPHJJ-YWZLYKJASA-N 2 2 332.463 3.388 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173896074 455338523 /nfs/dbraw/zinc/33/85/23/455338523.db2.gz MWIFIZPNEVUTFP-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173896074 455338528 /nfs/dbraw/zinc/33/85/28/455338528.db2.gz MWIFIZPNEVUTFP-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173896074 455338532 /nfs/dbraw/zinc/33/85/32/455338532.db2.gz MWIFIZPNEVUTFP-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173896074 455338536 /nfs/dbraw/zinc/33/85/36/455338536.db2.gz MWIFIZPNEVUTFP-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1F ZINC000158939524 455338578 /nfs/dbraw/zinc/33/85/78/455338578.db2.gz LXNHWVMQJBSNJO-MAUKXSAKSA-N 2 2 326.431 3.098 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245739319 455369581 /nfs/dbraw/zinc/36/95/81/455369581.db2.gz XBIFYUDECXIWTL-SWLSCSKDSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245739319 455369583 /nfs/dbraw/zinc/36/95/83/455369583.db2.gz XBIFYUDECXIWTL-SWLSCSKDSA-N 2 2 335.249 3.124 20 0 EGADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000174401735 455386713 /nfs/dbraw/zinc/38/67/13/455386713.db2.gz IKJGMWPKZPDNCG-KRWDZBQOSA-N 2 2 349.862 3.274 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000246115465 455429509 /nfs/dbraw/zinc/42/95/09/455429509.db2.gz QDBRZUNNRKRGCC-SNPRPXQTSA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000246115465 455429514 /nfs/dbraw/zinc/42/95/14/455429514.db2.gz QDBRZUNNRKRGCC-SNPRPXQTSA-N 2 2 331.416 3.215 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246122791 455430465 /nfs/dbraw/zinc/43/04/65/455430465.db2.gz DMQQGCVWFCDACA-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246122791 455430470 /nfs/dbraw/zinc/43/04/70/455430470.db2.gz DMQQGCVWFCDACA-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266954794 455482304 /nfs/dbraw/zinc/48/23/04/455482304.db2.gz VIPJGDOBFZDYQH-ZIAGYGMSSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266954794 455482306 /nfs/dbraw/zinc/48/23/06/455482306.db2.gz VIPJGDOBFZDYQH-ZIAGYGMSSA-N 2 2 344.484 3.338 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266968354 455484822 /nfs/dbraw/zinc/48/48/22/455484822.db2.gz YTWHELGSHBJBJT-MRXNPFEDSA-N 2 2 326.444 3.153 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266968354 455484827 /nfs/dbraw/zinc/48/48/27/455484827.db2.gz YTWHELGSHBJBJT-MRXNPFEDSA-N 2 2 326.444 3.153 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@](C)(Cc3ccccc3)[C@H](C)O)n2c1 ZINC000191717843 455512850 /nfs/dbraw/zinc/51/28/50/455512850.db2.gz ZYZSXDBEDAOLAO-UWJYYQICSA-N 2 2 337.467 3.362 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837324 455524783 /nfs/dbraw/zinc/52/47/83/455524783.db2.gz USKWVRDVHMKFST-OXJNMPFZSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837324 455524787 /nfs/dbraw/zinc/52/47/87/455524787.db2.gz USKWVRDVHMKFST-OXJNMPFZSA-N 2 2 343.446 3.162 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247111063 455560367 /nfs/dbraw/zinc/56/03/67/455560367.db2.gz PFIRJTSGYDZBSP-YLJYHZDGSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247111063 455560371 /nfs/dbraw/zinc/56/03/71/455560371.db2.gz PFIRJTSGYDZBSP-YLJYHZDGSA-N 2 2 339.483 3.399 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000247224597 455575119 /nfs/dbraw/zinc/57/51/19/455575119.db2.gz XWGIYZPRVBICGF-FOIQADDNSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000247224597 455575122 /nfs/dbraw/zinc/57/51/22/455575122.db2.gz XWGIYZPRVBICGF-FOIQADDNSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247279378 455582519 /nfs/dbraw/zinc/58/25/19/455582519.db2.gz DTBAFVXAXYMFBB-CKEIUWERSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247279378 455582523 /nfs/dbraw/zinc/58/25/23/455582523.db2.gz DTBAFVXAXYMFBB-CKEIUWERSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247325216 455588176 /nfs/dbraw/zinc/58/81/76/455588176.db2.gz GFLHMJDPZVYVDI-ZIFCJYIRSA-N 2 2 344.503 3.161 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247325216 455588181 /nfs/dbraw/zinc/58/81/81/455588181.db2.gz GFLHMJDPZVYVDI-ZIFCJYIRSA-N 2 2 344.503 3.161 20 0 EGADLP COc1ccc([C@H](C[NH+](C)C)NCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000283812640 455598197 /nfs/dbraw/zinc/59/81/97/455598197.db2.gz BRDYXTBMPOXEQE-IBGZPJMESA-N 2 2 338.455 3.044 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247503482 455614282 /nfs/dbraw/zinc/61/42/82/455614282.db2.gz LXUKWHAEBJNXLK-QWFCFKBJSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247503482 455614288 /nfs/dbraw/zinc/61/42/88/455614288.db2.gz LXUKWHAEBJNXLK-QWFCFKBJSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247503482 455614293 /nfs/dbraw/zinc/61/42/93/455614293.db2.gz LXUKWHAEBJNXLK-QWFCFKBJSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247503482 455614300 /nfs/dbraw/zinc/61/43/00/455614300.db2.gz LXUKWHAEBJNXLK-QWFCFKBJSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529041 455619333 /nfs/dbraw/zinc/61/93/33/455619333.db2.gz OCAZMIYSZDBLLF-LSDHHAIUSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529041 455619341 /nfs/dbraw/zinc/61/93/41/455619341.db2.gz OCAZMIYSZDBLLF-LSDHHAIUSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247529041 455619345 /nfs/dbraw/zinc/61/93/45/455619345.db2.gz OCAZMIYSZDBLLF-LSDHHAIUSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247529041 455619351 /nfs/dbraw/zinc/61/93/51/455619351.db2.gz OCAZMIYSZDBLLF-LSDHHAIUSA-N 2 2 337.895 3.473 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000271410401 455626831 /nfs/dbraw/zinc/62/68/31/455626831.db2.gz XOSLOAPKTBRATK-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000247578519 455626823 /nfs/dbraw/zinc/62/68/23/455626823.db2.gz SNWVISFHZHFQTF-MOPGFXCFSA-N 2 2 345.531 3.144 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000247578519 455626829 /nfs/dbraw/zinc/62/68/29/455626829.db2.gz SNWVISFHZHFQTF-MOPGFXCFSA-N 2 2 345.531 3.144 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000271410401 455626835 /nfs/dbraw/zinc/62/68/35/455626835.db2.gz XOSLOAPKTBRATK-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000271410401 455626841 /nfs/dbraw/zinc/62/68/41/455626841.db2.gz XOSLOAPKTBRATK-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000271410401 455626845 /nfs/dbraw/zinc/62/68/45/455626845.db2.gz XOSLOAPKTBRATK-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1Br)Cn1cc[nH+]c1 ZINC000192512585 455634777 /nfs/dbraw/zinc/63/47/77/455634777.db2.gz OXQUEIMKDBCHBD-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000247701694 455640414 /nfs/dbraw/zinc/64/04/14/455640414.db2.gz YBIYAKMKDQLRKW-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000247701694 455640420 /nfs/dbraw/zinc/64/04/20/455640420.db2.gz YBIYAKMKDQLRKW-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000247701694 455640423 /nfs/dbraw/zinc/64/04/23/455640423.db2.gz YBIYAKMKDQLRKW-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000247701694 455640428 /nfs/dbraw/zinc/64/04/28/455640428.db2.gz YBIYAKMKDQLRKW-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774530 455644720 /nfs/dbraw/zinc/64/47/20/455644720.db2.gz WPADTXWEJGWDMR-IIYDPXPESA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774530 455644725 /nfs/dbraw/zinc/64/47/25/455644725.db2.gz WPADTXWEJGWDMR-IIYDPXPESA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774282 455645322 /nfs/dbraw/zinc/64/53/22/455645322.db2.gz WOPDLIKGFTXPTG-JKIFEVAISA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774282 455645327 /nfs/dbraw/zinc/64/53/27/455645327.db2.gz WOPDLIKGFTXPTG-JKIFEVAISA-N 2 2 346.862 3.447 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284215390 455653283 /nfs/dbraw/zinc/65/32/83/455653283.db2.gz CLSHNFDVQXFOEW-UHFFFAOYSA-N 2 2 337.471 3.383 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000284270264 455660560 /nfs/dbraw/zinc/66/05/60/455660560.db2.gz DUUODXFXPJIEGE-MDZDMXLPSA-N 2 2 340.471 3.361 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000284270264 455660564 /nfs/dbraw/zinc/66/05/64/455660564.db2.gz DUUODXFXPJIEGE-MDZDMXLPSA-N 2 2 340.471 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789975 455667209 /nfs/dbraw/zinc/66/72/09/455667209.db2.gz WCPMPBFCLZMPNE-YSSFQJQWSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789975 455667211 /nfs/dbraw/zinc/66/72/11/455667211.db2.gz WCPMPBFCLZMPNE-YSSFQJQWSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000192745375 455684171 /nfs/dbraw/zinc/68/41/71/455684171.db2.gz RDFYUEFPZKBPMX-MRXNPFEDSA-N 2 2 340.471 3.366 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000192745375 455684178 /nfs/dbraw/zinc/68/41/78/455684178.db2.gz RDFYUEFPZKBPMX-MRXNPFEDSA-N 2 2 340.471 3.366 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)co2)cc1 ZINC000248166522 455692712 /nfs/dbraw/zinc/69/27/12/455692712.db2.gz TVENBHUXDIBBJV-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)co2)cc1 ZINC000248166522 455692716 /nfs/dbraw/zinc/69/27/16/455692716.db2.gz TVENBHUXDIBBJV-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)co2)cc1 ZINC000248166522 455692719 /nfs/dbraw/zinc/69/27/19/455692719.db2.gz TVENBHUXDIBBJV-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)co2)cc1 ZINC000248166522 455692723 /nfs/dbraw/zinc/69/27/23/455692723.db2.gz TVENBHUXDIBBJV-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186113417 455695660 /nfs/dbraw/zinc/69/56/60/455695660.db2.gz BTMAIJCBNWEIRN-CQSZACIVSA-N 2 2 331.485 3.467 20 0 EGADLP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268885401 455718509 /nfs/dbraw/zinc/71/85/09/455718509.db2.gz BNOJNFDVGOMRDC-OAHLLOKOSA-N 2 2 342.443 3.017 20 0 EGADLP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268885401 455718511 /nfs/dbraw/zinc/71/85/11/455718511.db2.gz BNOJNFDVGOMRDC-OAHLLOKOSA-N 2 2 342.443 3.017 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000186234323 455722752 /nfs/dbraw/zinc/72/27/52/455722752.db2.gz CCKMTYSSGYOUKJ-WBVHZDCISA-N 2 2 338.565 3.189 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268912199 455727967 /nfs/dbraw/zinc/72/79/67/455727967.db2.gz UIAYLDPZWIYULG-IBGZPJMESA-N 2 2 344.499 3.443 20 0 EGADLP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324515 455743741 /nfs/dbraw/zinc/74/37/41/455743741.db2.gz LAVBSFNGMWGPBU-APWZRJJASA-N 2 2 345.531 3.305 20 0 EGADLP CC[C@H]1C[N@H+](Cc2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000251918549 455798803 /nfs/dbraw/zinc/79/88/03/455798803.db2.gz YIDKAKRLYJYGIC-GXTWGEPZSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000251918549 455798805 /nfs/dbraw/zinc/79/88/05/455798805.db2.gz YIDKAKRLYJYGIC-GXTWGEPZSA-N 2 2 327.266 3.017 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052696 455775980 /nfs/dbraw/zinc/77/59/80/455775980.db2.gz ZWMYHJASHLNBDI-MGPUTAFESA-N 2 2 347.934 3.377 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052696 455775986 /nfs/dbraw/zinc/77/59/86/455775986.db2.gz ZWMYHJASHLNBDI-MGPUTAFESA-N 2 2 347.934 3.377 20 0 EGADLP Cc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076024 455783034 /nfs/dbraw/zinc/78/30/34/455783034.db2.gz YMBPGGSAWTWQTN-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076024 455783039 /nfs/dbraw/zinc/78/30/39/455783039.db2.gz YMBPGGSAWTWQTN-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076024 455783042 /nfs/dbraw/zinc/78/30/42/455783042.db2.gz YMBPGGSAWTWQTN-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076024 455783048 /nfs/dbraw/zinc/78/30/48/455783048.db2.gz YMBPGGSAWTWQTN-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000271847669 455784385 /nfs/dbraw/zinc/78/43/85/455784385.db2.gz VEEPMDQYQZXRLN-SFHVURJKSA-N 2 2 332.488 3.015 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000285308253 455822102 /nfs/dbraw/zinc/82/21/02/455822102.db2.gz SJPYXUONKRLADY-KRWDZBQOSA-N 2 2 345.487 3.114 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3cn[nH]c3)[nH+]c12 ZINC000285330029 455825437 /nfs/dbraw/zinc/82/54/37/455825437.db2.gz UFEVDXWBPDTKQX-LLVKDONJSA-N 2 2 348.248 3.022 20 0 EGADLP C[C@H](CC[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533535 455854742 /nfs/dbraw/zinc/85/47/42/455854742.db2.gz WIMWUEDURYSITL-COPCDDAFSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](CC[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533535 455854749 /nfs/dbraw/zinc/85/47/49/455854749.db2.gz WIMWUEDURYSITL-COPCDDAFSA-N 2 2 338.495 3.405 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1)C(C)C ZINC000620596475 460700156 /nfs/dbraw/zinc/70/01/56/460700156.db2.gz RGJRMURMROAXBA-HNNXBMFYSA-N 2 2 328.460 3.141 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1)C(C)C ZINC000620596475 460700160 /nfs/dbraw/zinc/70/01/60/460700160.db2.gz RGJRMURMROAXBA-HNNXBMFYSA-N 2 2 328.460 3.141 20 0 EGADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000261430053 455904515 /nfs/dbraw/zinc/90/45/15/455904515.db2.gz JSLMDSVFQJEUSE-AWEZNQCLSA-N 2 2 342.430 3.128 20 0 EGADLP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000261430053 455904521 /nfs/dbraw/zinc/90/45/21/455904521.db2.gz JSLMDSVFQJEUSE-AWEZNQCLSA-N 2 2 342.430 3.128 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)CC(C)C ZINC000194977655 455908736 /nfs/dbraw/zinc/90/87/36/455908736.db2.gz FESWEGSNUQHDID-MSOLQXFVSA-N 2 2 329.492 3.240 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261611296 455911924 /nfs/dbraw/zinc/91/19/24/455911924.db2.gz CDKGXSDFLWRRIE-FQEVSTJZSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261611296 455911932 /nfs/dbraw/zinc/91/19/32/455911932.db2.gz CDKGXSDFLWRRIE-FQEVSTJZSA-N 2 2 339.439 3.088 20 0 EGADLP c1c[nH+]c([C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2cccnc2)[nH]1 ZINC000195052181 455916954 /nfs/dbraw/zinc/91/69/54/455916954.db2.gz AINNGYVVAIRHMI-IBGZPJMESA-N 2 2 339.487 3.281 20 0 EGADLP Cc1cnn(CCCCC[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000285853131 455928524 /nfs/dbraw/zinc/92/85/24/455928524.db2.gz XYQYCUGDWRZVJI-UHFFFAOYSA-N 2 2 332.492 3.409 20 0 EGADLP Cc1cnn(CCCCC[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000285853131 455928528 /nfs/dbraw/zinc/92/85/28/455928528.db2.gz XYQYCUGDWRZVJI-UHFFFAOYSA-N 2 2 332.492 3.409 20 0 EGADLP Cc1cnn(CCCCC[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000285853131 455928534 /nfs/dbraw/zinc/92/85/34/455928534.db2.gz XYQYCUGDWRZVJI-UHFFFAOYSA-N 2 2 332.492 3.409 20 0 EGADLP Cc1cnn(CCCCC[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000285853131 455928538 /nfs/dbraw/zinc/92/85/38/455928538.db2.gz XYQYCUGDWRZVJI-UHFFFAOYSA-N 2 2 332.492 3.409 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC(C)C ZINC000261726671 455935750 /nfs/dbraw/zinc/93/57/50/455935750.db2.gz NXYIUJXKAGGMOP-RBUKOAKNSA-N 2 2 340.467 3.409 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC(C)C ZINC000261726671 455935757 /nfs/dbraw/zinc/93/57/57/455935757.db2.gz NXYIUJXKAGGMOP-RBUKOAKNSA-N 2 2 340.467 3.409 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000261757334 455941871 /nfs/dbraw/zinc/94/18/71/455941871.db2.gz QRYAKDGXKATTAJ-LJQANCHMSA-N 2 2 345.874 3.485 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000261757334 455941876 /nfs/dbraw/zinc/94/18/76/455941876.db2.gz QRYAKDGXKATTAJ-LJQANCHMSA-N 2 2 345.874 3.485 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261958037 455977361 /nfs/dbraw/zinc/97/73/61/455977361.db2.gz RKHVAHUVSDQODZ-OAHLLOKOSA-N 2 2 338.455 3.091 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3Br)C[C@H]21 ZINC000261973654 455979686 /nfs/dbraw/zinc/97/96/86/455979686.db2.gz QPFJKJMEGQPNCC-FIXISWKDSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3Br)C[C@H]21 ZINC000261973654 455979691 /nfs/dbraw/zinc/97/96/91/455979691.db2.gz QPFJKJMEGQPNCC-FIXISWKDSA-N 2 2 327.241 3.147 20 0 EGADLP COCc1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000272527250 455982981 /nfs/dbraw/zinc/98/29/81/455982981.db2.gz IQBXLRLBSHRYIB-UHFFFAOYSA-N 2 2 348.384 3.479 20 0 EGADLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1C ZINC000262044244 455990091 /nfs/dbraw/zinc/99/00/91/455990091.db2.gz YTPRTNMVTROYMF-QGZVFWFLSA-N 2 2 345.512 3.380 20 0 EGADLP COc1cc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1C ZINC000262044244 455990094 /nfs/dbraw/zinc/99/00/94/455990094.db2.gz YTPRTNMVTROYMF-QGZVFWFLSA-N 2 2 345.512 3.380 20 0 EGADLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000188259261 456031684 /nfs/dbraw/zinc/03/16/84/456031684.db2.gz FKVONDWVZWWNTN-CVEARBPZSA-N 2 2 325.460 3.056 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675308 456034974 /nfs/dbraw/zinc/03/49/74/456034974.db2.gz UNYXICXIVFXBJZ-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675308 456034979 /nfs/dbraw/zinc/03/49/79/456034979.db2.gz UNYXICXIVFXBJZ-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675308 456034984 /nfs/dbraw/zinc/03/49/84/456034984.db2.gz UNYXICXIVFXBJZ-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675308 456034992 /nfs/dbraw/zinc/03/49/92/456034992.db2.gz UNYXICXIVFXBJZ-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3ccccc3)n2)C1 ZINC000262686772 456053234 /nfs/dbraw/zinc/05/32/34/456053234.db2.gz YPTCPWKMPAMJRQ-XJKSGUPXSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3ccccc3)n2)C1 ZINC000262686772 456053238 /nfs/dbraw/zinc/05/32/38/456053238.db2.gz YPTCPWKMPAMJRQ-XJKSGUPXSA-N 2 2 344.484 3.014 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900416 456062710 /nfs/dbraw/zinc/06/27/10/456062710.db2.gz QYTJTNFABQDPJZ-RTWAWAEBSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900416 456062717 /nfs/dbraw/zinc/06/27/17/456062717.db2.gz QYTJTNFABQDPJZ-RTWAWAEBSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000270900416 456062719 /nfs/dbraw/zinc/06/27/19/456062719.db2.gz QYTJTNFABQDPJZ-RTWAWAEBSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000270900416 456062721 /nfs/dbraw/zinc/06/27/21/456062721.db2.gz QYTJTNFABQDPJZ-RTWAWAEBSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933519 456116916 /nfs/dbraw/zinc/11/69/16/456116916.db2.gz KGBOSPRNDQKMIS-INIZCTEOSA-N 2 2 339.361 3.284 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933519 456116922 /nfs/dbraw/zinc/11/69/22/456116922.db2.gz KGBOSPRNDQKMIS-INIZCTEOSA-N 2 2 339.361 3.284 20 0 EGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cscn3)cc2)CC1 ZINC000271066384 456116990 /nfs/dbraw/zinc/11/69/90/456116990.db2.gz DDFCDBUVICZQPS-INIZCTEOSA-N 2 2 344.528 3.131 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cscn3)cc2)CC1 ZINC000271066384 456116993 /nfs/dbraw/zinc/11/69/93/456116993.db2.gz DDFCDBUVICZQPS-INIZCTEOSA-N 2 2 344.528 3.131 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H](C)OC)cc1 ZINC000272937308 456118298 /nfs/dbraw/zinc/11/82/98/456118298.db2.gz KTGBNLFJRZFKEQ-QGZVFWFLSA-N 2 2 331.460 3.209 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](C)OC)cc1 ZINC000272937308 456118300 /nfs/dbraw/zinc/11/83/00/456118300.db2.gz KTGBNLFJRZFKEQ-QGZVFWFLSA-N 2 2 331.460 3.209 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CCC(n3cc[nH+]c3)CC1)OCCO2 ZINC000271134435 456136063 /nfs/dbraw/zinc/13/60/63/456136063.db2.gz BOHAKQLGGABUJS-UHFFFAOYSA-N 2 2 345.468 3.213 20 0 EGADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301556830 456146070 /nfs/dbraw/zinc/14/60/70/456146070.db2.gz WSYFIAVEFXTBRK-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301556830 456146078 /nfs/dbraw/zinc/14/60/78/456146078.db2.gz WSYFIAVEFXTBRK-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@H](C[NH+]4CCCCC4)C3)n2c1 ZINC000271174305 456154478 /nfs/dbraw/zinc/15/44/78/456154478.db2.gz GTNQLXKQEVGPFG-OAHLLOKOSA-N 2 2 332.879 3.296 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)c2ccccc12 ZINC000297269513 456167914 /nfs/dbraw/zinc/16/79/14/456167914.db2.gz KQMUYYBVYASJPF-DLBZAZTESA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc12 ZINC000297269513 456167917 /nfs/dbraw/zinc/16/79/17/456167917.db2.gz KQMUYYBVYASJPF-DLBZAZTESA-N 2 2 342.483 3.346 20 0 EGADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000281231321 456173407 /nfs/dbraw/zinc/17/34/07/456173407.db2.gz SCYRTZQEWGYGSI-CQSZACIVSA-N 2 2 329.469 3.400 20 0 EGADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000281231321 456173415 /nfs/dbraw/zinc/17/34/15/456173415.db2.gz SCYRTZQEWGYGSI-CQSZACIVSA-N 2 2 329.469 3.400 20 0 EGADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000281231318 456173602 /nfs/dbraw/zinc/17/36/02/456173602.db2.gz SCYRTZQEWGYGSI-AWEZNQCLSA-N 2 2 329.469 3.400 20 0 EGADLP c1cc(Sc2ccccn2)oc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000281231318 456173609 /nfs/dbraw/zinc/17/36/09/456173609.db2.gz SCYRTZQEWGYGSI-AWEZNQCLSA-N 2 2 329.469 3.400 20 0 EGADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000236719423 456175030 /nfs/dbraw/zinc/17/50/30/456175030.db2.gz MEIHSFCIIOQOFJ-RHSMWYFYSA-N 2 2 337.895 3.063 20 0 EGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000236988019 456214541 /nfs/dbraw/zinc/21/45/41/456214541.db2.gz BDLMDROXOVTYIN-DYVFJYSZSA-N 2 2 346.500 3.087 20 0 EGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000236988019 456214547 /nfs/dbraw/zinc/21/45/47/456214547.db2.gz BDLMDROXOVTYIN-DYVFJYSZSA-N 2 2 346.500 3.087 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000263765751 456216922 /nfs/dbraw/zinc/21/69/22/456216922.db2.gz BOZZWKTUGWLXJG-LBPRGKRZSA-N 2 2 348.244 3.100 20 0 EGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000237018414 456219552 /nfs/dbraw/zinc/21/95/52/456219552.db2.gz BDLMDROXOVTYIN-CXAGYDPISA-N 2 2 346.500 3.087 20 0 EGADLP C[NH+](C)Cc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1F ZINC000301869561 456237003 /nfs/dbraw/zinc/23/70/03/456237003.db2.gz IIGGBZOXIZBWPK-UHFFFAOYSA-N 2 2 343.450 3.280 20 0 EGADLP C[NH+](C)Cc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1F ZINC000301869561 456237014 /nfs/dbraw/zinc/23/70/14/456237014.db2.gz IIGGBZOXIZBWPK-UHFFFAOYSA-N 2 2 343.450 3.280 20 0 EGADLP CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000263873136 456250456 /nfs/dbraw/zinc/25/04/56/456250456.db2.gz GMGBGABOHPPWMO-UHFFFAOYSA-N 2 2 341.455 3.426 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC3CCC(C[NH+](C)C)CC3)c2c1 ZINC000301941788 456255810 /nfs/dbraw/zinc/25/58/10/456255810.db2.gz XBNICOQPRXPASY-UHFFFAOYSA-N 2 2 328.460 3.479 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263916040 456263178 /nfs/dbraw/zinc/26/31/78/456263178.db2.gz AJYIYFDCGMWDOD-UHFFFAOYSA-N 2 2 336.439 3.088 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1F ZINC000290320131 456290494 /nfs/dbraw/zinc/29/04/94/456290494.db2.gz CWOMTXWBLZEJMM-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)cc1F ZINC000290320131 456290496 /nfs/dbraw/zinc/29/04/96/456290496.db2.gz CWOMTXWBLZEJMM-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000342870652 456284582 /nfs/dbraw/zinc/28/45/82/456284582.db2.gz OFQAYMGUSVCVOF-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)s1 ZINC000352768054 456288313 /nfs/dbraw/zinc/28/83/13/456288313.db2.gz DVUKWXQLCZHXFX-UHFFFAOYSA-N 2 2 346.500 3.211 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320131 456290488 /nfs/dbraw/zinc/29/04/88/456290488.db2.gz CWOMTXWBLZEJMM-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320131 456290490 /nfs/dbraw/zinc/29/04/90/456290490.db2.gz CWOMTXWBLZEJMM-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(Br)cs2)s1 ZINC000352773781 456295365 /nfs/dbraw/zinc/29/53/65/456295365.db2.gz UOTYLDDYMGAMAY-UHFFFAOYSA-N 2 2 346.319 3.319 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1OC ZINC000336789528 456308696 /nfs/dbraw/zinc/30/86/96/456308696.db2.gz JHZZXZPBRLUSPE-QFBILLFUSA-N 2 2 340.467 3.456 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1OC ZINC000336789528 456308700 /nfs/dbraw/zinc/30/87/00/456308700.db2.gz JHZZXZPBRLUSPE-QFBILLFUSA-N 2 2 340.467 3.456 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790956 456308922 /nfs/dbraw/zinc/30/89/22/456308922.db2.gz MLISEUPXSJVSHF-APWZRJJASA-N 2 2 338.451 3.210 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790956 456308925 /nfs/dbraw/zinc/30/89/25/456308925.db2.gz MLISEUPXSJVSHF-APWZRJJASA-N 2 2 338.451 3.210 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H]1c1ccccc1 ZINC000340204644 456312874 /nfs/dbraw/zinc/31/28/74/456312874.db2.gz YFCHOCLILCQHCC-PZJWPPBQSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H]1c1ccccc1 ZINC000340204644 456312883 /nfs/dbraw/zinc/31/28/83/456312883.db2.gz YFCHOCLILCQHCC-PZJWPPBQSA-N 3 2 327.516 3.428 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1O ZINC000340220839 456322004 /nfs/dbraw/zinc/32/20/04/456322004.db2.gz FSJCOJAULWYBHJ-MSOLQXFVSA-N 2 2 326.440 3.326 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1O ZINC000340220839 456322009 /nfs/dbraw/zinc/32/20/09/456322009.db2.gz FSJCOJAULWYBHJ-MSOLQXFVSA-N 2 2 326.440 3.326 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000297965672 456333713 /nfs/dbraw/zinc/33/37/13/456333713.db2.gz WTADIENUHLQSNM-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000297965672 456333717 /nfs/dbraw/zinc/33/37/17/456333717.db2.gz WTADIENUHLQSNM-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000297965672 456333721 /nfs/dbraw/zinc/33/37/21/456333721.db2.gz WTADIENUHLQSNM-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000297965672 456333725 /nfs/dbraw/zinc/33/37/25/456333725.db2.gz WTADIENUHLQSNM-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP CSCc1cnc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000352826756 456341153 /nfs/dbraw/zinc/34/11/53/456341153.db2.gz SUTPOQCIVPNKPC-CYBMUJFWSA-N 2 2 336.530 3.194 20 0 EGADLP CSCc1cnc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000352826756 456341163 /nfs/dbraw/zinc/34/11/63/456341163.db2.gz SUTPOQCIVPNKPC-CYBMUJFWSA-N 2 2 336.530 3.194 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@H+](C)CCC[NH+]3CCCC3)C2=O)c1 ZINC000337283792 456342746 /nfs/dbraw/zinc/34/27/46/456342746.db2.gz YKEWMMBFWLLXIL-GOSISDBHSA-N 2 2 347.478 3.047 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@@H+](C)CCC[NH+]3CCCC3)C2=O)c1 ZINC000337283792 456342750 /nfs/dbraw/zinc/34/27/50/456342750.db2.gz YKEWMMBFWLLXIL-GOSISDBHSA-N 2 2 347.478 3.047 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000340268920 456352469 /nfs/dbraw/zinc/35/24/69/456352469.db2.gz WHFXXJQVYCBJHD-SESVDKBCSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000340268920 456352473 /nfs/dbraw/zinc/35/24/73/456352473.db2.gz WHFXXJQVYCBJHD-SESVDKBCSA-N 2 2 349.478 3.217 20 0 EGADLP FC(F)O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000337555372 456377723 /nfs/dbraw/zinc/37/77/23/456377723.db2.gz QWZRWCFXMADLQP-IRXDYDNUSA-N 2 2 339.430 3.186 20 0 EGADLP FC(F)O[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337567963 456387862 /nfs/dbraw/zinc/38/78/62/456387862.db2.gz ZNCYOWNKSLPCKX-NWDGAFQWSA-N 2 2 330.341 3.153 20 0 EGADLP COc1ccnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000276126760 456393951 /nfs/dbraw/zinc/39/39/51/456393951.db2.gz AHERGYKWIATDID-IRXDYDNUSA-N 2 2 339.483 3.336 20 0 EGADLP c1nc(NC2CC[NH+](C3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000302888214 456428060 /nfs/dbraw/zinc/42/80/60/456428060.db2.gz MODSFVOAAKRIGZ-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP c1nc(N2CCCC2)cc(NC2CC[NH+](C3CCCCC3)CC2)[nH+]1 ZINC000302888214 456428066 /nfs/dbraw/zinc/42/80/66/456428066.db2.gz MODSFVOAAKRIGZ-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348090812 456471218 /nfs/dbraw/zinc/47/12/18/456471218.db2.gz WTCAUGBCMSCCAU-QGZVFWFLSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348090812 456471222 /nfs/dbraw/zinc/47/12/22/456471222.db2.gz WTCAUGBCMSCCAU-QGZVFWFLSA-N 2 2 335.455 3.050 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)CCn1cc[nH+]c1C ZINC000299063543 456596993 /nfs/dbraw/zinc/59/69/93/456596993.db2.gz UBEHDKMUNLUTPG-UHFFFAOYSA-N 2 2 338.249 3.095 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000299063543 456596999 /nfs/dbraw/zinc/59/69/99/456596999.db2.gz UBEHDKMUNLUTPG-UHFFFAOYSA-N 2 2 338.249 3.095 20 0 EGADLP C[C@@H](c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276881474 456609825 /nfs/dbraw/zinc/60/98/25/456609825.db2.gz GGHYHNXIPCFAAX-MJBXVCDLSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@@H](c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276881474 456609827 /nfs/dbraw/zinc/60/98/27/456609827.db2.gz GGHYHNXIPCFAAX-MJBXVCDLSA-N 2 2 338.415 3.251 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCS2 ZINC000317040028 456616850 /nfs/dbraw/zinc/61/68/50/456616850.db2.gz WCAYZGYMZZSGKQ-OFQRWUPVSA-N 2 2 338.904 3.330 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCS2 ZINC000317040028 456616855 /nfs/dbraw/zinc/61/68/55/456616855.db2.gz WCAYZGYMZZSGKQ-OFQRWUPVSA-N 2 2 338.904 3.330 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332881 456631206 /nfs/dbraw/zinc/63/12/06/456631206.db2.gz WNKLBKFXHTUSIR-HOJAQTOUSA-N 2 2 349.478 3.077 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Cn1c(C)[nH+]c2ccccc21)CC(C)C ZINC000338160706 456673555 /nfs/dbraw/zinc/67/35/55/456673555.db2.gz WJVNJARNIFGGEU-QGZVFWFLSA-N 2 2 344.503 3.217 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000282970881 456679519 /nfs/dbraw/zinc/67/95/19/456679519.db2.gz LFBYJGHNSHIOTB-LJQANCHMSA-N 2 2 349.482 3.120 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC000282970881 456679528 /nfs/dbraw/zinc/67/95/28/456679528.db2.gz LFBYJGHNSHIOTB-LJQANCHMSA-N 2 2 349.482 3.120 20 0 EGADLP c1c(CC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)[nH+]c2ccccn12 ZINC000338193987 456697413 /nfs/dbraw/zinc/69/74/13/456697413.db2.gz LYSSLZSFAOJMNK-FQEVSTJZSA-N 2 2 343.434 3.240 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171223 456706774 /nfs/dbraw/zinc/70/67/74/456706774.db2.gz KSSWGCPRCMBBFQ-PMACEKPBSA-N 2 2 343.515 3.156 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171223 456706780 /nfs/dbraw/zinc/70/67/80/456706780.db2.gz KSSWGCPRCMBBFQ-PMACEKPBSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)c[nH+]c12 ZINC000343586299 456726647 /nfs/dbraw/zinc/72/66/47/456726647.db2.gz ZFKXEOQFWOXHIM-CQSZACIVSA-N 2 2 334.423 3.378 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524228 456735013 /nfs/dbraw/zinc/73/50/13/456735013.db2.gz FZSCFMOQVIMADK-PKOBYXMFSA-N 2 2 340.471 3.103 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524228 456735023 /nfs/dbraw/zinc/73/50/23/456735023.db2.gz FZSCFMOQVIMADK-PKOBYXMFSA-N 2 2 340.471 3.103 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000348536141 456745693 /nfs/dbraw/zinc/74/56/93/456745693.db2.gz RGRHYXIYHQMSNT-GFCCVEGCSA-N 2 2 329.379 3.040 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543246 456747163 /nfs/dbraw/zinc/74/71/63/456747163.db2.gz AZVLUJYRLNUFNF-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543246 456747168 /nfs/dbraw/zinc/74/71/68/456747168.db2.gz AZVLUJYRLNUFNF-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(OC)n1 ZINC000353555196 456755927 /nfs/dbraw/zinc/75/59/27/456755927.db2.gz BSORMXAQLHHFRZ-MAUKXSAKSA-N 2 2 347.503 3.232 20 0 EGADLP CCc1nocc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000353557879 456760402 /nfs/dbraw/zinc/76/04/02/456760402.db2.gz CDFHGKZUQINTII-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000353557879 456760407 /nfs/dbraw/zinc/76/04/07/456760407.db2.gz CDFHGKZUQINTII-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000353557879 456760416 /nfs/dbraw/zinc/76/04/16/456760416.db2.gz CDFHGKZUQINTII-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000353557879 456760420 /nfs/dbraw/zinc/76/04/20/456760420.db2.gz CDFHGKZUQINTII-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343660902 456764596 /nfs/dbraw/zinc/76/45/96/456764596.db2.gz AFWSGKKISFFGQI-DNVCBOLYSA-N 2 2 327.472 3.246 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000338423716 456810061 /nfs/dbraw/zinc/81/00/61/456810061.db2.gz NOVSYLPJEBXYNZ-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000338423716 456810064 /nfs/dbraw/zinc/81/00/64/456810064.db2.gz NOVSYLPJEBXYNZ-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCCCC1 ZINC000344339606 456818766 /nfs/dbraw/zinc/81/87/66/456818766.db2.gz YNAFHLHFEGIIGM-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP COc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000348783552 456854387 /nfs/dbraw/zinc/85/43/87/456854387.db2.gz JIVJAWXYZBBUIA-KRWDZBQOSA-N 2 2 337.423 3.386 20 0 EGADLP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000348783552 456854391 /nfs/dbraw/zinc/85/43/91/456854391.db2.gz JIVJAWXYZBBUIA-KRWDZBQOSA-N 2 2 337.423 3.386 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000344810662 456862969 /nfs/dbraw/zinc/86/29/69/456862969.db2.gz HSFOKAHGSMLKQD-MAUKXSAKSA-N 2 2 336.476 3.365 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000348826675 456873449 /nfs/dbraw/zinc/87/34/49/456873449.db2.gz IHFPOSJTYWVKOG-HOCLYGCPSA-N 2 2 346.862 3.072 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c[nH+]1 ZINC000338961357 456878623 /nfs/dbraw/zinc/87/86/23/456878623.db2.gz ABKMEZVXEMSRRJ-GOSISDBHSA-N 2 2 341.455 3.058 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c[nH+]1 ZINC000338961357 456878628 /nfs/dbraw/zinc/87/86/28/456878628.db2.gz ABKMEZVXEMSRRJ-GOSISDBHSA-N 2 2 341.455 3.058 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000338992764 456890464 /nfs/dbraw/zinc/89/04/64/456890464.db2.gz NFOIZDQBCDWXDW-GOSISDBHSA-N 2 2 345.531 3.312 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000338992764 456890471 /nfs/dbraw/zinc/89/04/71/456890471.db2.gz NFOIZDQBCDWXDW-GOSISDBHSA-N 2 2 345.531 3.312 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341683786 456898318 /nfs/dbraw/zinc/89/83/18/456898318.db2.gz NAEKYMZAMXDOKS-WMLDXEAASA-N 2 2 338.879 3.254 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353823750 456924198 /nfs/dbraw/zinc/92/41/98/456924198.db2.gz WKWNTAMTXJDWIV-RDJZCZTQSA-N 2 2 335.517 3.445 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353823750 456924203 /nfs/dbraw/zinc/92/42/03/456924203.db2.gz WKWNTAMTXJDWIV-RDJZCZTQSA-N 2 2 335.517 3.445 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000339073804 456927756 /nfs/dbraw/zinc/92/77/56/456927756.db2.gz FITPQWPMSXVACL-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000339073804 456927760 /nfs/dbraw/zinc/92/77/60/456927760.db2.gz FITPQWPMSXVACL-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP C[C@@H](CC1CCCCC1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000339098821 456940781 /nfs/dbraw/zinc/94/07/81/456940781.db2.gz SXOHZZDLHOFAJF-INIZCTEOSA-N 2 2 345.535 3.167 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339102000 456941289 /nfs/dbraw/zinc/94/12/89/456941289.db2.gz IKBLTMWGMLRUJG-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339102000 456941291 /nfs/dbraw/zinc/94/12/91/456941291.db2.gz IKBLTMWGMLRUJG-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339102000 456941294 /nfs/dbraw/zinc/94/12/94/456941294.db2.gz IKBLTMWGMLRUJG-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339102000 456941296 /nfs/dbraw/zinc/94/12/96/456941296.db2.gz IKBLTMWGMLRUJG-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000349364159 456954082 /nfs/dbraw/zinc/95/40/82/456954082.db2.gz GBMPIKXVEIVEMR-UHFFFAOYSA-N 2 2 330.451 3.319 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000349364159 456954084 /nfs/dbraw/zinc/95/40/84/456954084.db2.gz GBMPIKXVEIVEMR-UHFFFAOYSA-N 2 2 330.451 3.319 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000349386420 456961095 /nfs/dbraw/zinc/96/10/95/456961095.db2.gz SOLNJDSHDYYYKG-UHFFFAOYSA-N 2 2 329.835 3.244 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000349386420 456961099 /nfs/dbraw/zinc/96/10/99/456961099.db2.gz SOLNJDSHDYYYKG-UHFFFAOYSA-N 2 2 329.835 3.244 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(-c2ccccc2)nc1C ZINC000349420172 456966267 /nfs/dbraw/zinc/96/62/67/456966267.db2.gz QXUFLQCHXKBUFP-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(-c2ccccc2)nc1C ZINC000349420172 456966271 /nfs/dbraw/zinc/96/62/71/456966271.db2.gz QXUFLQCHXKBUFP-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CC(C)(C[NH2+]Cc1cc(O)cc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000349571041 456989675 /nfs/dbraw/zinc/98/96/75/456989675.db2.gz VHADWILGCCIPAE-UHFFFAOYSA-N 2 2 328.431 3.458 20 0 EGADLP CC(C)(C[NH2+]Cc1cc(O)cc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000349571041 456989678 /nfs/dbraw/zinc/98/96/78/456989678.db2.gz VHADWILGCCIPAE-UHFFFAOYSA-N 2 2 328.431 3.458 20 0 EGADLP C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000354004667 457001732 /nfs/dbraw/zinc/00/17/32/457001732.db2.gz CEWRIJBLPKJDNH-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000354004667 457001733 /nfs/dbraw/zinc/00/17/33/457001733.db2.gz CEWRIJBLPKJDNH-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CSCc1cnc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000339276333 457036508 /nfs/dbraw/zinc/03/65/08/457036508.db2.gz PBXPZSNAXYUVCT-UHFFFAOYSA-N 2 2 348.541 3.468 20 0 EGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000349822700 457068220 /nfs/dbraw/zinc/06/82/20/457068220.db2.gz QJVJJTDINZVBSL-DNVCBOLYSA-N 2 2 346.496 3.044 20 0 EGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000349822700 457068223 /nfs/dbraw/zinc/06/82/23/457068223.db2.gz QJVJJTDINZVBSL-DNVCBOLYSA-N 2 2 346.496 3.044 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521634 457091119 /nfs/dbraw/zinc/09/11/19/457091119.db2.gz DLTZYQMKNJISLV-WOJBJXKFSA-N 2 2 334.504 3.483 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521634 457091125 /nfs/dbraw/zinc/09/11/25/457091125.db2.gz DLTZYQMKNJISLV-WOJBJXKFSA-N 2 2 334.504 3.483 20 0 EGADLP CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000359536318 457092403 /nfs/dbraw/zinc/09/24/03/457092403.db2.gz XANWXFAOMSIBPP-OAHLLOKOSA-N 2 2 346.500 3.266 20 0 EGADLP CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000359536318 457092408 /nfs/dbraw/zinc/09/24/08/457092408.db2.gz XANWXFAOMSIBPP-OAHLLOKOSA-N 2 2 346.500 3.266 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661892 457099584 /nfs/dbraw/zinc/09/95/84/457099584.db2.gz UKGHUYVULVJLJV-ZNLUXHQJSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661892 457099587 /nfs/dbraw/zinc/09/95/87/457099587.db2.gz UKGHUYVULVJLJV-ZNLUXHQJSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000346661892 457099594 /nfs/dbraw/zinc/09/95/94/457099594.db2.gz UKGHUYVULVJLJV-ZNLUXHQJSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000346661892 457099596 /nfs/dbraw/zinc/09/95/96/457099596.db2.gz UKGHUYVULVJLJV-ZNLUXHQJSA-N 2 2 341.543 3.284 20 0 EGADLP Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000362828330 457112336 /nfs/dbraw/zinc/11/23/36/457112336.db2.gz DVWISNHYFWYRKM-MRXNPFEDSA-N 2 2 337.427 3.072 20 0 EGADLP Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000362828330 457112339 /nfs/dbraw/zinc/11/23/39/457112339.db2.gz DVWISNHYFWYRKM-MRXNPFEDSA-N 2 2 337.427 3.072 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356745244 457146017 /nfs/dbraw/zinc/14/60/17/457146017.db2.gz PQIDLUHJEMQNDR-HNNXBMFYSA-N 2 2 327.428 3.332 20 0 EGADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356745244 457146023 /nfs/dbraw/zinc/14/60/23/457146023.db2.gz PQIDLUHJEMQNDR-HNNXBMFYSA-N 2 2 327.428 3.332 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000356780439 457164644 /nfs/dbraw/zinc/16/46/44/457164644.db2.gz OVHLHOKFXCXGFL-HNNXBMFYSA-N 2 2 342.487 3.149 20 0 EGADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000356780439 457164647 /nfs/dbraw/zinc/16/46/47/457164647.db2.gz OVHLHOKFXCXGFL-HNNXBMFYSA-N 2 2 342.487 3.149 20 0 EGADLP Clc1cc(C[NH2+]Cc2cccc3[nH+]ccn32)cc2c1OCCCO2 ZINC000354289514 457175571 /nfs/dbraw/zinc/17/55/71/457175571.db2.gz KQCKVRYCQINYNE-UHFFFAOYSA-N 2 2 343.814 3.439 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)CC3 ZINC000346808338 457177403 /nfs/dbraw/zinc/17/74/03/457177403.db2.gz NQYTXADSRLNQGP-HBUWYVDXSA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)CC3 ZINC000346808338 457177408 /nfs/dbraw/zinc/17/74/08/457177408.db2.gz NQYTXADSRLNQGP-HBUWYVDXSA-N 2 2 327.472 3.106 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356866144 457187139 /nfs/dbraw/zinc/18/71/39/457187139.db2.gz LVKCSRNGKQCDTO-LBPRGKRZSA-N 2 2 338.414 3.113 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000347042658 457200262 /nfs/dbraw/zinc/20/02/62/457200262.db2.gz DERKKBPPRDPZTA-UHFFFAOYSA-N 2 2 344.378 3.345 20 0 EGADLP COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000347103534 457231024 /nfs/dbraw/zinc/23/10/24/457231024.db2.gz KOZGTTUPQJFNDG-PBWFPOADSA-N 2 2 326.387 3.011 20 0 EGADLP COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000347103534 457231031 /nfs/dbraw/zinc/23/10/31/457231031.db2.gz KOZGTTUPQJFNDG-PBWFPOADSA-N 2 2 326.387 3.011 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000354468290 457242795 /nfs/dbraw/zinc/24/27/95/457242795.db2.gz SXZZYAMNRAEWBR-QHAWAJNXSA-N 2 2 349.478 3.069 20 0 EGADLP COc1cc(OC)cc(OCC[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000354510779 457263515 /nfs/dbraw/zinc/26/35/15/457263515.db2.gz MDLDKAAQCNUHSO-UHFFFAOYSA-N 2 2 330.428 3.008 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347216185 457292811 /nfs/dbraw/zinc/29/28/11/457292811.db2.gz RCKBQRMSRRREMK-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347216185 457292817 /nfs/dbraw/zinc/29/28/17/457292817.db2.gz RCKBQRMSRRREMK-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP CCOc1cc2[nH+]ccc(N[C@@H](C)Cn3cc[nH+]c3)c2cc1OCC ZINC000357304998 457433866 /nfs/dbraw/zinc/43/38/66/457433866.db2.gz RCBSUHHNFYBUEL-AWEZNQCLSA-N 2 2 340.427 3.151 20 0 EGADLP CC[C@H](C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1)[NH+](C)C ZINC000425104966 457437779 /nfs/dbraw/zinc/43/77/79/457437779.db2.gz FXIZVCVINLANMZ-GOSISDBHSA-N 2 2 336.439 3.432 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360943237 457450875 /nfs/dbraw/zinc/45/08/75/457450875.db2.gz SKQGDHMABGDZRV-LJQANCHMSA-N 3 2 338.499 3.253 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000342686360 457456594 /nfs/dbraw/zinc/45/65/94/457456594.db2.gz AKBXDDJBVBIKMH-KDOFPFPSSA-N 2 2 338.455 3.213 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000360965429 457472078 /nfs/dbraw/zinc/47/20/78/457472078.db2.gz GLHOYWTXUFRFSI-IERDGZPVSA-N 2 2 344.499 3.317 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000342721414 457479017 /nfs/dbraw/zinc/47/90/17/457479017.db2.gz BTNKDWKFSJEMPA-UHFFFAOYSA-N 2 2 349.482 3.351 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)CC[NH+](C)C)o2)cc1 ZINC000360981265 457485992 /nfs/dbraw/zinc/48/59/92/457485992.db2.gz ITALIJKJTZDGPK-CQSZACIVSA-N 2 2 330.428 3.163 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400369439 457513321 /nfs/dbraw/zinc/51/33/21/457513321.db2.gz SWUBMSVEDLTEQL-LSDHHAIUSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400369439 457513332 /nfs/dbraw/zinc/51/33/32/457513332.db2.gz SWUBMSVEDLTEQL-LSDHHAIUSA-N 2 2 339.524 3.094 20 0 EGADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425355946 457515775 /nfs/dbraw/zinc/51/57/75/457515775.db2.gz OWNPKTGWXOSEQJ-WBMJQRKESA-N 2 2 336.867 3.005 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779061 457519070 /nfs/dbraw/zinc/51/90/70/457519070.db2.gz NPUAAVVTFQUQBO-LPHOPBHVSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779061 457519073 /nfs/dbraw/zinc/51/90/73/457519073.db2.gz NPUAAVVTFQUQBO-LPHOPBHVSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnn1-c1ccccc1 ZINC000374231160 457536233 /nfs/dbraw/zinc/53/62/33/457536233.db2.gz OYQRIBKHHCKATC-INIZCTEOSA-N 2 2 335.455 3.298 20 0 EGADLP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043184 457536879 /nfs/dbraw/zinc/53/68/79/457536879.db2.gz CUBLFQZADCBIOG-ROUUACIJSA-N 2 2 346.519 3.165 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000352695559 457537938 /nfs/dbraw/zinc/53/79/38/457537938.db2.gz WZAFBEIQJUFESO-QZTJIDSGSA-N 2 2 333.495 3.125 20 0 EGADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000347598749 457539936 /nfs/dbraw/zinc/53/99/36/457539936.db2.gz KBAIKTQHSHVGCG-SJORKVTESA-N 2 2 325.456 3.185 20 0 EGADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000347598749 457539941 /nfs/dbraw/zinc/53/99/41/457539941.db2.gz KBAIKTQHSHVGCG-SJORKVTESA-N 2 2 325.456 3.185 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@H]1CC[NH3+] ZINC000404343222 457540472 /nfs/dbraw/zinc/54/04/72/457540472.db2.gz FUYNQJBIKRLXLT-RISCZKNCSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@H]1CC[NH3+] ZINC000404343222 457540480 /nfs/dbraw/zinc/54/04/80/457540480.db2.gz FUYNQJBIKRLXLT-RISCZKNCSA-N 2 2 344.286 3.381 20 0 EGADLP COC(=O)[C@H](CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421670 457545789 /nfs/dbraw/zinc/54/57/89/457545789.db2.gz OFQMGMCHXPHXGC-QRQLOZEOSA-N 2 2 341.455 3.113 20 0 EGADLP COC(=O)[C@H](CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421670 457545791 /nfs/dbraw/zinc/54/57/91/457545791.db2.gz OFQMGMCHXPHXGC-QRQLOZEOSA-N 2 2 341.455 3.113 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425428826 457551517 /nfs/dbraw/zinc/55/15/17/457551517.db2.gz YCNREUKNSFXIIS-ZDUSSCGKSA-N 2 2 342.434 3.484 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425428826 457551522 /nfs/dbraw/zinc/55/15/22/457551522.db2.gz YCNREUKNSFXIIS-ZDUSSCGKSA-N 2 2 342.434 3.484 20 0 EGADLP CCCCc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)no1 ZINC000361060102 457552451 /nfs/dbraw/zinc/55/24/51/457552451.db2.gz ULFFCIJLMNMOEW-UHFFFAOYSA-N 2 2 331.464 3.301 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)s1 ZINC000347635533 457565596 /nfs/dbraw/zinc/56/55/96/457565596.db2.gz HCLOPEOEVKQRPW-MRXNPFEDSA-N 2 2 331.485 3.248 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)s1 ZINC000347635533 457565602 /nfs/dbraw/zinc/56/56/02/457565602.db2.gz HCLOPEOEVKQRPW-MRXNPFEDSA-N 2 2 331.485 3.248 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000352749289 457580123 /nfs/dbraw/zinc/58/01/23/457580123.db2.gz MAMGGADUZLWBAA-UONOGXRCSA-N 2 2 341.293 3.420 20 0 EGADLP Cn1c(C[NH2+]Cc2c[nH+]c3n2CCCC3)nc2cc(Cl)ccc21 ZINC000370259096 457601345 /nfs/dbraw/zinc/60/13/45/457601345.db2.gz BAOPHNVBENDZPL-UHFFFAOYSA-N 2 2 329.835 3.049 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000364453949 457610601 /nfs/dbraw/zinc/61/06/01/457610601.db2.gz BYVSCTNDEAXIBG-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000357666652 457647600 /nfs/dbraw/zinc/64/76/00/457647600.db2.gz ZLTBAPPFSLMNCZ-HNAYVOBHSA-N 2 2 325.460 3.180 20 0 EGADLP Cc1cc(F)ccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425918200 457651320 /nfs/dbraw/zinc/65/13/20/457651320.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(F)ccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425918200 457651321 /nfs/dbraw/zinc/65/13/21/457651321.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(F)ccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425918200 457651322 /nfs/dbraw/zinc/65/13/22/457651322.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(F)ccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425918200 457651327 /nfs/dbraw/zinc/65/13/27/457651327.db2.gz DNRQHVJUYAGUMH-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP C[N@H+](C/C=C/c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940202 457655513 /nfs/dbraw/zinc/65/55/13/457655513.db2.gz GMRPYKWZVMSYIY-MKGTUJQCSA-N 2 2 336.479 3.269 20 0 EGADLP C[N@@H+](C/C=C/c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940202 457655521 /nfs/dbraw/zinc/65/55/21/457655521.db2.gz GMRPYKWZVMSYIY-MKGTUJQCSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C/c1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940202 457655527 /nfs/dbraw/zinc/65/55/27/457655527.db2.gz GMRPYKWZVMSYIY-MKGTUJQCSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C/c1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940202 457655535 /nfs/dbraw/zinc/65/55/35/457655535.db2.gz GMRPYKWZVMSYIY-MKGTUJQCSA-N 2 2 336.479 3.269 20 0 EGADLP C[N@H+](C/C=C\c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940204 457655689 /nfs/dbraw/zinc/65/56/89/457655689.db2.gz GMRPYKWZVMSYIY-NSDWXSQCSA-N 2 2 336.479 3.269 20 0 EGADLP C[N@@H+](C/C=C\c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940204 457655694 /nfs/dbraw/zinc/65/56/94/457655694.db2.gz GMRPYKWZVMSYIY-NSDWXSQCSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C\c1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940204 457655702 /nfs/dbraw/zinc/65/57/02/457655702.db2.gz GMRPYKWZVMSYIY-NSDWXSQCSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C\c1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940204 457655708 /nfs/dbraw/zinc/65/57/08/457655708.db2.gz GMRPYKWZVMSYIY-NSDWXSQCSA-N 2 2 336.479 3.269 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361292085 457681341 /nfs/dbraw/zinc/68/13/41/457681341.db2.gz XQXGOOPFGOCNLY-IIAWOOMASA-N 2 2 340.558 3.356 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000357772820 457684292 /nfs/dbraw/zinc/68/42/92/457684292.db2.gz CZIRGNLRDWMQOQ-CQSZACIVSA-N 2 2 327.476 3.110 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000357772820 457684295 /nfs/dbraw/zinc/68/42/95/457684295.db2.gz CZIRGNLRDWMQOQ-CQSZACIVSA-N 2 2 327.476 3.110 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000370668979 457696265 /nfs/dbraw/zinc/69/62/65/457696265.db2.gz CCWMWSZGRMQZDP-LBPRGKRZSA-N 2 2 327.457 3.445 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019161 457741019 /nfs/dbraw/zinc/74/10/19/457741019.db2.gz RZUWKXQTKYUBQE-CXAGYDPISA-N 2 2 335.879 3.131 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019161 457741022 /nfs/dbraw/zinc/74/10/22/457741022.db2.gz RZUWKXQTKYUBQE-CXAGYDPISA-N 2 2 335.879 3.131 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000358021336 457742338 /nfs/dbraw/zinc/74/23/38/457742338.db2.gz NKHTUCJRNOWLAH-LSTHTHJFSA-N 2 2 337.467 3.439 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021336 457742346 /nfs/dbraw/zinc/74/23/46/457742346.db2.gz NKHTUCJRNOWLAH-LSTHTHJFSA-N 2 2 337.467 3.439 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358026543 457744145 /nfs/dbraw/zinc/74/41/45/457744145.db2.gz QLTPVMDYDQXXMK-PXNSSMCTSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358026543 457744146 /nfs/dbraw/zinc/74/41/46/457744146.db2.gz QLTPVMDYDQXXMK-PXNSSMCTSA-N 2 2 331.504 3.231 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000443524465 457776681 /nfs/dbraw/zinc/77/66/81/457776681.db2.gz UOJWKJGXMUVBFS-ZDUSSCGKSA-N 2 2 327.407 3.313 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000358089996 457779961 /nfs/dbraw/zinc/77/99/61/457779961.db2.gz MUFZJIZLNLJECB-INIZCTEOSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ncc(Br)s1 ZINC000371118012 457795798 /nfs/dbraw/zinc/79/57/98/457795798.db2.gz IIWOPBUVUVMIHX-DCAQKATOSA-N 2 2 330.295 3.183 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ncc(Br)s1 ZINC000371118012 457795804 /nfs/dbraw/zinc/79/58/04/457795804.db2.gz IIWOPBUVUVMIHX-DCAQKATOSA-N 2 2 330.295 3.183 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)o1 ZINC000426350298 457809536 /nfs/dbraw/zinc/80/95/36/457809536.db2.gz WYXZJSVDNXIJHO-NVXWUHKLSA-N 2 2 337.508 3.162 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)o1 ZINC000426350298 457809541 /nfs/dbraw/zinc/80/95/41/457809541.db2.gz WYXZJSVDNXIJHO-NVXWUHKLSA-N 2 2 337.508 3.162 20 0 EGADLP C[NH+](C)[C@@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000433344571 457816517 /nfs/dbraw/zinc/81/65/17/457816517.db2.gz SLTCINBGGLXEBE-SFHVURJKSA-N 2 2 340.471 3.083 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289214 457849628 /nfs/dbraw/zinc/84/96/28/457849628.db2.gz IVWJILATIRUVJQ-OAGGEKHMSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289214 457849634 /nfs/dbraw/zinc/84/96/34/457849634.db2.gz IVWJILATIRUVJQ-OAGGEKHMSA-N 2 2 347.484 3.087 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccn(C(F)F)n3)C1)CCCC2 ZINC000433754074 457877737 /nfs/dbraw/zinc/87/77/37/457877737.db2.gz QJRLUTXGPSLANZ-AWEZNQCLSA-N 2 2 335.402 3.109 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccn(C(F)F)n3)C1)CCCC2 ZINC000433754074 457877740 /nfs/dbraw/zinc/87/77/40/457877740.db2.gz QJRLUTXGPSLANZ-AWEZNQCLSA-N 2 2 335.402 3.109 20 0 EGADLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252249 457888780 /nfs/dbraw/zinc/88/87/80/457888780.db2.gz LNPHERHEFGRVJK-HOTGVXAUSA-N 2 2 331.287 3.491 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1Cl ZINC000375344238 457889867 /nfs/dbraw/zinc/88/98/67/457889867.db2.gz CBXRXUFABBFJCJ-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)ccc1Cl ZINC000375344238 457889870 /nfs/dbraw/zinc/88/98/70/457889870.db2.gz CBXRXUFABBFJCJ-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000361834874 457895703 /nfs/dbraw/zinc/89/57/03/457895703.db2.gz XPKVWTGZABBKKN-HXUWFJFHSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000361834874 457895709 /nfs/dbraw/zinc/89/57/09/457895709.db2.gz XPKVWTGZABBKKN-HXUWFJFHSA-N 2 2 334.423 3.229 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000358283108 457908587 /nfs/dbraw/zinc/90/85/87/457908587.db2.gz CKTNYUFGGRFWHU-CQSZACIVSA-N 2 2 348.516 3.453 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccsc2)cc1)C1CC[NH+](CCO)CC1 ZINC000444625869 457922034 /nfs/dbraw/zinc/92/20/34/457922034.db2.gz KXRMSNGLTQLRGE-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccsc2)cc1)C1CC[NH+](CCO)CC1 ZINC000444625869 457922039 /nfs/dbraw/zinc/92/20/39/457922039.db2.gz KXRMSNGLTQLRGE-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC12CCOCC2)C1CC1 ZINC000367090658 457927244 /nfs/dbraw/zinc/92/72/44/457927244.db2.gz BKTWUZIDCLAXMO-UXHICEINSA-N 2 2 328.500 3.446 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC12CCOCC2)C1CC1 ZINC000367090658 457927249 /nfs/dbraw/zinc/92/72/49/457927249.db2.gz BKTWUZIDCLAXMO-UXHICEINSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884725 457930092 /nfs/dbraw/zinc/93/00/92/457930092.db2.gz FLXLTOOXCIZGJK-OXJNMPFZSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884725 457930096 /nfs/dbraw/zinc/93/00/96/457930096.db2.gz FLXLTOOXCIZGJK-OXJNMPFZSA-N 2 2 328.431 3.113 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361893899 457937826 /nfs/dbraw/zinc/93/78/26/457937826.db2.gz SIRAUSWGEXLYRZ-AUUYWEPGSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361893899 457937833 /nfs/dbraw/zinc/93/78/33/457937833.db2.gz SIRAUSWGEXLYRZ-AUUYWEPGSA-N 2 2 345.512 3.048 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427125050 457947274 /nfs/dbraw/zinc/94/72/74/457947274.db2.gz YWAPUGZVMMHCCK-ZWKOTPCHSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427125050 457947280 /nfs/dbraw/zinc/94/72/80/457947280.db2.gz YWAPUGZVMMHCCK-ZWKOTPCHSA-N 2 2 332.488 3.448 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468514 457948378 /nfs/dbraw/zinc/94/83/78/457948378.db2.gz AUKMTLYUOSNHQN-BPQIPLTHSA-N 2 2 349.544 3.484 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468514 457948384 /nfs/dbraw/zinc/94/83/84/457948384.db2.gz AUKMTLYUOSNHQN-BPQIPLTHSA-N 2 2 349.544 3.484 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000371561166 457990670 /nfs/dbraw/zinc/99/06/70/457990670.db2.gz QHIGFJGLRTZHPP-KRWDZBQOSA-N 2 2 326.444 3.229 20 0 EGADLP CC1(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]CC1 ZINC000434681840 458036318 /nfs/dbraw/zinc/03/63/18/458036318.db2.gz SJOGHJIHWFOINQ-UHFFFAOYSA-N 2 2 345.830 3.399 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1)CC1CC1 ZINC000428313524 458119694 /nfs/dbraw/zinc/11/96/94/458119694.db2.gz XNJJTJGYHSQXOJ-UHFFFAOYSA-N 2 2 333.524 3.262 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1)CC1CC1 ZINC000428313524 458119698 /nfs/dbraw/zinc/11/96/98/458119698.db2.gz XNJJTJGYHSQXOJ-UHFFFAOYSA-N 2 2 333.524 3.262 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000362361499 458126131 /nfs/dbraw/zinc/12/61/31/458126131.db2.gz QOMRXFCANRKSHJ-ZDUSSCGKSA-N 2 2 348.516 3.067 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)CC2)n1 ZINC000358646817 458126498 /nfs/dbraw/zinc/12/64/98/458126498.db2.gz DXNJGCPDWYZLID-OAHLLOKOSA-N 2 2 345.516 3.092 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435387147 458131640 /nfs/dbraw/zinc/13/16/40/458131640.db2.gz XKMBMIQHHAXKHZ-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435387147 458131645 /nfs/dbraw/zinc/13/16/45/458131645.db2.gz XKMBMIQHHAXKHZ-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP C[N@H+](Cc1cc(F)cc(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428417339 458137969 /nfs/dbraw/zinc/13/79/69/458137969.db2.gz CMMQQZQGVNSCSM-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428417339 458137975 /nfs/dbraw/zinc/13/79/75/458137975.db2.gz CMMQQZQGVNSCSM-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cc(F)cc(F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428417339 458137980 /nfs/dbraw/zinc/13/79/80/458137980.db2.gz CMMQQZQGVNSCSM-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cc(F)cc(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428417339 458137986 /nfs/dbraw/zinc/13/79/86/458137986.db2.gz CMMQQZQGVNSCSM-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668897 458139834 /nfs/dbraw/zinc/13/98/34/458139834.db2.gz UBGMLTCHCFQMTK-CRAIPNDOSA-N 3 2 335.923 3.377 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668897 458139837 /nfs/dbraw/zinc/13/98/37/458139837.db2.gz UBGMLTCHCFQMTK-CRAIPNDOSA-N 3 2 335.923 3.377 20 0 EGADLP Cc1ccc(F)c(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428436257 458141974 /nfs/dbraw/zinc/14/19/74/458141974.db2.gz FKZXUSTTWJABSX-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)c(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428436257 458141979 /nfs/dbraw/zinc/14/19/79/458141979.db2.gz FKZXUSTTWJABSX-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)c(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000428436257 458141981 /nfs/dbraw/zinc/14/19/81/458141981.db2.gz FKZXUSTTWJABSX-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)c(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428436257 458141985 /nfs/dbraw/zinc/14/19/85/458141985.db2.gz FKZXUSTTWJABSX-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccccc1OC ZINC000435537702 458159995 /nfs/dbraw/zinc/15/99/95/458159995.db2.gz XYKRLXNSHFFEMS-ALKREAHSSA-N 2 2 329.444 3.390 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362428819 458169676 /nfs/dbraw/zinc/16/96/76/458169676.db2.gz DMMKQIVFEVFVMJ-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362428819 458169679 /nfs/dbraw/zinc/16/96/79/458169679.db2.gz DMMKQIVFEVFVMJ-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP CCCCN(CC)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362428819 458169682 /nfs/dbraw/zinc/16/96/82/458169682.db2.gz DMMKQIVFEVFVMJ-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP CCCCN(CC)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362428819 458169683 /nfs/dbraw/zinc/16/96/83/458169683.db2.gz DMMKQIVFEVFVMJ-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435621841 458174363 /nfs/dbraw/zinc/17/43/63/458174363.db2.gz AQVNFCAQCFIAMP-PBHICJAKSA-N 2 2 337.533 3.025 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435621841 458174368 /nfs/dbraw/zinc/17/43/68/458174368.db2.gz AQVNFCAQCFIAMP-PBHICJAKSA-N 2 2 337.533 3.025 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628079 458176702 /nfs/dbraw/zinc/17/67/02/458176702.db2.gz PIJAYFWPGMFYHF-MRXNPFEDSA-N 2 2 331.504 3.387 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435628079 458176706 /nfs/dbraw/zinc/17/67/06/458176706.db2.gz PIJAYFWPGMFYHF-MRXNPFEDSA-N 2 2 331.504 3.387 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000369351226 458182045 /nfs/dbraw/zinc/18/20/45/458182045.db2.gz AQNOCPFRCSVPDE-KRWDZBQOSA-N 2 2 339.443 3.003 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000369351226 458182048 /nfs/dbraw/zinc/18/20/48/458182048.db2.gz AQNOCPFRCSVPDE-KRWDZBQOSA-N 2 2 339.443 3.003 20 0 EGADLP Cc1noc(C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)n1 ZINC000428646112 458182708 /nfs/dbraw/zinc/18/27/08/458182708.db2.gz DTJRBMGGRWMDHB-QGZVFWFLSA-N 2 2 333.395 3.099 20 0 EGADLP CCSc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000372214176 458235251 /nfs/dbraw/zinc/23/52/51/458235251.db2.gz CBLKLHZBCQKOBR-SFHVURJKSA-N 2 2 333.545 3.010 20 0 EGADLP CCSc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000372214176 458235256 /nfs/dbraw/zinc/23/52/56/458235256.db2.gz CBLKLHZBCQKOBR-SFHVURJKSA-N 2 2 333.545 3.010 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CC1 ZINC000459116518 458269053 /nfs/dbraw/zinc/26/90/53/458269053.db2.gz OPMZGKRWUNFDFN-INIZCTEOSA-N 2 2 349.523 3.118 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CC1 ZINC000459116518 458269058 /nfs/dbraw/zinc/26/90/58/458269058.db2.gz OPMZGKRWUNFDFN-INIZCTEOSA-N 2 2 349.523 3.118 20 0 EGADLP COCCC1(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000436278167 458281753 /nfs/dbraw/zinc/28/17/53/458281753.db2.gz CGYRDNUYQGWRAM-HDICACEKSA-N 2 2 326.525 3.062 20 0 EGADLP COCCC1(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000436278167 458281759 /nfs/dbraw/zinc/28/17/59/458281759.db2.gz CGYRDNUYQGWRAM-HDICACEKSA-N 2 2 326.525 3.062 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429295911 458312688 /nfs/dbraw/zinc/31/26/88/458312688.db2.gz VQOKJVHJVNWHCB-UHFFFAOYSA-N 2 2 332.879 3.446 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429295911 458312691 /nfs/dbraw/zinc/31/26/91/458312691.db2.gz VQOKJVHJVNWHCB-UHFFFAOYSA-N 2 2 332.879 3.446 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000376512304 458324343 /nfs/dbraw/zinc/32/43/43/458324343.db2.gz AEBKMVIBPSKBIX-NRFANRHFSA-N 2 2 348.450 3.367 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000376512304 458324348 /nfs/dbraw/zinc/32/43/48/458324348.db2.gz AEBKMVIBPSKBIX-NRFANRHFSA-N 2 2 348.450 3.367 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447683309 458329207 /nfs/dbraw/zinc/32/92/07/458329207.db2.gz OWWYFFNVRCCYJU-OAHLLOKOSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000429403893 458329759 /nfs/dbraw/zinc/32/97/59/458329759.db2.gz GCXYDTWVWYWFJH-GOSISDBHSA-N 2 2 338.499 3.238 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000429403893 458329766 /nfs/dbraw/zinc/32/97/66/458329766.db2.gz GCXYDTWVWYWFJH-GOSISDBHSA-N 2 2 338.499 3.238 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429541990 458342258 /nfs/dbraw/zinc/34/22/58/458342258.db2.gz WWBMUNDMBJGQPO-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429541990 458342261 /nfs/dbraw/zinc/34/22/61/458342261.db2.gz WWBMUNDMBJGQPO-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000429552410 458343852 /nfs/dbraw/zinc/34/38/52/458343852.db2.gz JYHICCZGJJBLBJ-OAHLLOKOSA-N 2 2 334.851 3.306 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000429552410 458343856 /nfs/dbraw/zinc/34/38/56/458343856.db2.gz JYHICCZGJJBLBJ-OAHLLOKOSA-N 2 2 334.851 3.306 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459370021 458346868 /nfs/dbraw/zinc/34/68/68/458346868.db2.gz GSHREAZYPRYFLW-INIZCTEOSA-N 2 2 343.862 3.359 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459370021 458346870 /nfs/dbraw/zinc/34/68/70/458346870.db2.gz GSHREAZYPRYFLW-INIZCTEOSA-N 2 2 343.862 3.359 20 0 EGADLP COCCCOc1cccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000372952964 458358601 /nfs/dbraw/zinc/35/86/01/458358601.db2.gz TXPLLNMKXNUISS-GOSISDBHSA-N 2 2 343.471 3.274 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000372976870 458363832 /nfs/dbraw/zinc/36/38/32/458363832.db2.gz PGIXLTRBFFCCEP-MOPGFXCFSA-N 2 2 334.891 3.462 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459418569 458364683 /nfs/dbraw/zinc/36/46/83/458364683.db2.gz DBKIWIVURBCFCI-OXQOHEQNSA-N 2 2 336.483 3.497 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418569 458364687 /nfs/dbraw/zinc/36/46/87/458364687.db2.gz DBKIWIVURBCFCI-OXQOHEQNSA-N 2 2 336.483 3.497 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828742 458398701 /nfs/dbraw/zinc/39/87/01/458398701.db2.gz QAGLPLGTBYFARA-RTBURBONSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828742 458398704 /nfs/dbraw/zinc/39/87/04/458398704.db2.gz QAGLPLGTBYFARA-RTBURBONSA-N 2 2 326.488 3.373 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC(C)C ZINC000430172558 458415722 /nfs/dbraw/zinc/41/57/22/458415722.db2.gz XRDXGFWKCXUJKJ-FQEVSTJZSA-N 2 2 332.488 3.258 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC(C)C ZINC000430172558 458415728 /nfs/dbraw/zinc/41/57/28/458415728.db2.gz XRDXGFWKCXUJKJ-FQEVSTJZSA-N 2 2 332.488 3.258 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCC(C)C ZINC000430172558 458415729 /nfs/dbraw/zinc/41/57/29/458415729.db2.gz XRDXGFWKCXUJKJ-FQEVSTJZSA-N 2 2 332.488 3.258 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCC(C)C ZINC000430172558 458415731 /nfs/dbraw/zinc/41/57/31/458415731.db2.gz XRDXGFWKCXUJKJ-FQEVSTJZSA-N 2 2 332.488 3.258 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1F ZINC000437008511 458422161 /nfs/dbraw/zinc/42/21/61/458422161.db2.gz SDNQIXGILYFFST-ZYHUDNBSSA-N 2 2 338.224 3.450 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031818 458423707 /nfs/dbraw/zinc/42/37/07/458423707.db2.gz OOJVMBXBUZBEED-SCLBCKFNSA-N 2 2 331.891 3.447 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031818 458423711 /nfs/dbraw/zinc/42/37/11/458423711.db2.gz OOJVMBXBUZBEED-SCLBCKFNSA-N 2 2 331.891 3.447 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031814 458423998 /nfs/dbraw/zinc/42/39/98/458423998.db2.gz OOJVMBXBUZBEED-ACJLOTCBSA-N 2 2 331.891 3.447 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031814 458424000 /nfs/dbraw/zinc/42/40/00/458424000.db2.gz OOJVMBXBUZBEED-ACJLOTCBSA-N 2 2 331.891 3.447 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105820 458427519 /nfs/dbraw/zinc/42/75/19/458427519.db2.gz FGDNAVVRQAFSPP-PWRODBHTSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105820 458427521 /nfs/dbraw/zinc/42/75/21/458427521.db2.gz FGDNAVVRQAFSPP-PWRODBHTSA-N 3 2 341.543 3.361 20 0 EGADLP COC(=O)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C)c(C)c1 ZINC000459617304 458428979 /nfs/dbraw/zinc/42/89/79/458428979.db2.gz DJVVGWWZDJTIKT-SFHVURJKSA-N 2 2 329.444 3.092 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc2n(n1)CCC2 ZINC000423460344 458436555 /nfs/dbraw/zinc/43/65/55/458436555.db2.gz ASNRKPUSQXWOHZ-URLQWDBASA-N 2 2 342.462 3.012 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000373234930 458439212 /nfs/dbraw/zinc/43/92/12/458439212.db2.gz ZYOKTIAXSCAQSN-KRWDZBQOSA-N 2 2 349.438 3.382 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000373234930 458439217 /nfs/dbraw/zinc/43/92/17/458439217.db2.gz ZYOKTIAXSCAQSN-KRWDZBQOSA-N 2 2 349.438 3.382 20 0 EGADLP COc1cccc2c1C[C@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C2 ZINC000459695117 458450427 /nfs/dbraw/zinc/45/04/27/458450427.db2.gz JIPKVUGHALJUNX-QGZVFWFLSA-N 2 2 333.435 3.446 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H]1C[NH3+] ZINC000430553097 458459740 /nfs/dbraw/zinc/45/97/40/458459740.db2.gz CMONHUYJRIRBIO-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H]1C[NH3+] ZINC000430553097 458459744 /nfs/dbraw/zinc/45/97/44/458459744.db2.gz CMONHUYJRIRBIO-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000430576120 458465194 /nfs/dbraw/zinc/46/51/94/458465194.db2.gz RQDRVLAYNOHGOL-PXNSSMCTSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000430576120 458465200 /nfs/dbraw/zinc/46/52/00/458465200.db2.gz RQDRVLAYNOHGOL-PXNSSMCTSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000430582444 458466678 /nfs/dbraw/zinc/46/66/78/458466678.db2.gz WNQAWOGDMZNOJY-HNNXBMFYSA-N 2 2 347.484 3.344 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000430582444 458466683 /nfs/dbraw/zinc/46/66/83/458466683.db2.gz WNQAWOGDMZNOJY-HNNXBMFYSA-N 2 2 347.484 3.344 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430591417 458468469 /nfs/dbraw/zinc/46/84/69/458468469.db2.gz FKFSXIAHKWODFV-KBPBESRZSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430591417 458468472 /nfs/dbraw/zinc/46/84/72/458468472.db2.gz FKFSXIAHKWODFV-KBPBESRZSA-N 2 2 331.485 3.378 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758524 458470311 /nfs/dbraw/zinc/47/03/11/458470311.db2.gz VLGNGDHLRPXOQZ-WOJBJXKFSA-N 2 2 328.500 3.449 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758524 458470314 /nfs/dbraw/zinc/47/03/14/458470314.db2.gz VLGNGDHLRPXOQZ-WOJBJXKFSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758524 458470319 /nfs/dbraw/zinc/47/03/19/458470319.db2.gz VLGNGDHLRPXOQZ-WOJBJXKFSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758524 458470323 /nfs/dbraw/zinc/47/03/23/458470323.db2.gz VLGNGDHLRPXOQZ-WOJBJXKFSA-N 2 2 328.500 3.449 20 0 EGADLP CCc1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000377198762 458487859 /nfs/dbraw/zinc/48/78/59/458487859.db2.gz RFCQQRWXXLVYRM-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP CCc1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000377198762 458487861 /nfs/dbraw/zinc/48/78/61/458487861.db2.gz RFCQQRWXXLVYRM-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP [NH3+]C1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCCC1 ZINC000423832664 458493939 /nfs/dbraw/zinc/49/39/39/458493939.db2.gz AHVXCNQBNYXRLR-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP Cc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000430912445 458503774 /nfs/dbraw/zinc/50/37/74/458503774.db2.gz LKPNLYCFHFGQKK-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000430912445 458503777 /nfs/dbraw/zinc/50/37/77/458503777.db2.gz LKPNLYCFHFGQKK-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C(C)C)cc1 ZINC000430926746 458506875 /nfs/dbraw/zinc/50/68/75/458506875.db2.gz GZTJLFHQDMIYTI-LDQXTDLNSA-N 2 2 345.531 3.292 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C(C)C)cc1 ZINC000430926746 458506877 /nfs/dbraw/zinc/50/68/77/458506877.db2.gz GZTJLFHQDMIYTI-LDQXTDLNSA-N 2 2 345.531 3.292 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000430944167 458508876 /nfs/dbraw/zinc/50/88/76/458508876.db2.gz SDEZUFIKIPDJEG-XHDPSFHLSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000430944167 458508880 /nfs/dbraw/zinc/50/88/80/458508880.db2.gz SDEZUFIKIPDJEG-XHDPSFHLSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1C[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430944914 458509134 /nfs/dbraw/zinc/50/91/34/458509134.db2.gz OPKHRKBHWGMGJI-MNEFBYGVSA-N 2 2 348.450 3.495 20 0 EGADLP C[C@@H]1C[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430944914 458509136 /nfs/dbraw/zinc/50/91/36/458509136.db2.gz OPKHRKBHWGMGJI-MNEFBYGVSA-N 2 2 348.450 3.495 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430958992 458511612 /nfs/dbraw/zinc/51/16/12/458511612.db2.gz VGWLGYDWLDFAAQ-KSSFIOAISA-N 2 2 345.874 3.483 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430958992 458511618 /nfs/dbraw/zinc/51/16/18/458511618.db2.gz VGWLGYDWLDFAAQ-KSSFIOAISA-N 2 2 345.874 3.483 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])ccc2n1C1CC1 ZINC000423931623 458515625 /nfs/dbraw/zinc/51/56/25/458515625.db2.gz MLKSFZZVDQMDGN-DJJJIMSYSA-N 2 2 342.487 3.169 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377763305 458516264 /nfs/dbraw/zinc/51/62/64/458516264.db2.gz OZJKEQKSAPBVAF-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377763305 458516267 /nfs/dbraw/zinc/51/62/67/458516267.db2.gz OZJKEQKSAPBVAF-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377763305 458516274 /nfs/dbraw/zinc/51/62/74/458516274.db2.gz OZJKEQKSAPBVAF-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377763305 458516283 /nfs/dbraw/zinc/51/62/83/458516283.db2.gz OZJKEQKSAPBVAF-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1ccc(CCC[NH2+]CCCNC(=O)/C=C/c2ccccc2)c[nH+]1 ZINC000493625387 458516971 /nfs/dbraw/zinc/51/69/71/458516971.db2.gz OHHCYUIKIJGCET-OUKQBFOZSA-N 2 2 337.467 3.132 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000377827134 458543657 /nfs/dbraw/zinc/54/36/57/458543657.db2.gz TWLFSCZZHBZFIX-ZDUSSCGKSA-N 2 2 337.370 3.020 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000377827134 458543665 /nfs/dbraw/zinc/54/36/65/458543665.db2.gz TWLFSCZZHBZFIX-ZDUSSCGKSA-N 2 2 337.370 3.020 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ncc(C(F)(F)F)s1)CCC2 ZINC000377905572 458570073 /nfs/dbraw/zinc/57/00/73/458570073.db2.gz JQGYDJFLYAHOII-SNVBAGLBSA-N 2 2 330.379 3.334 20 0 EGADLP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000424185928 458580620 /nfs/dbraw/zinc/58/06/20/458580620.db2.gz RIBAXDRDSYVRTH-PMACEKPBSA-N 2 2 325.431 3.273 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCc4ccccc4OC3)c2)c[nH+]1 ZINC000493850321 458586644 /nfs/dbraw/zinc/58/66/44/458586644.db2.gz VBHLEGKUHIAGBF-FQEVSTJZSA-N 2 2 333.435 3.415 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000493889540 458595460 /nfs/dbraw/zinc/59/54/60/458595460.db2.gz WFACABOJFMEVQL-JSXRDJHFSA-N 2 2 342.527 3.487 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424270878 458599469 /nfs/dbraw/zinc/59/94/69/458599469.db2.gz RCYZRVPXHWEDJX-CYBMUJFWSA-N 2 2 326.868 3.110 20 0 EGADLP [NH3+]C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301777 458609507 /nfs/dbraw/zinc/60/95/07/458609507.db2.gz LIDFMSBGXGKTIU-AZUAARDMSA-N 3 2 347.522 3.456 20 0 EGADLP [NH3+]C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301777 458609510 /nfs/dbraw/zinc/60/95/10/458609510.db2.gz LIDFMSBGXGKTIU-AZUAARDMSA-N 3 2 347.522 3.456 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000424372831 458628263 /nfs/dbraw/zinc/62/82/63/458628263.db2.gz WZIZLXIJCKAHDT-ZIAGYGMSSA-N 2 2 349.276 3.199 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000494141338 458632485 /nfs/dbraw/zinc/63/24/85/458632485.db2.gz IVUSIGLRYZJETJ-IAGOWNOFSA-N 2 2 348.491 3.137 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000494141338 458632493 /nfs/dbraw/zinc/63/24/93/458632493.db2.gz IVUSIGLRYZJETJ-IAGOWNOFSA-N 2 2 348.491 3.137 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439078947 458650185 /nfs/dbraw/zinc/65/01/85/458650185.db2.gz RKAZBDUIPXKGQT-CQSZACIVSA-N 2 2 333.476 3.179 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977477 458671892 /nfs/dbraw/zinc/67/18/92/458671892.db2.gz XMXTXWLJOAZZEP-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977477 458671898 /nfs/dbraw/zinc/67/18/98/458671898.db2.gz XMXTXWLJOAZZEP-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977477 458671900 /nfs/dbraw/zinc/67/19/00/458671900.db2.gz XMXTXWLJOAZZEP-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470977477 458671905 /nfs/dbraw/zinc/67/19/05/458671905.db2.gz XMXTXWLJOAZZEP-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP Clc1ccccc1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502919209 458681265 /nfs/dbraw/zinc/68/12/65/458681265.db2.gz MFQJQBVBHILHOG-QGZVFWFLSA-N 2 2 336.907 3.317 20 0 EGADLP Clc1ccccc1CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502919209 458681267 /nfs/dbraw/zinc/68/12/67/458681267.db2.gz MFQJQBVBHILHOG-QGZVFWFLSA-N 2 2 336.907 3.317 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000530232416 458724639 /nfs/dbraw/zinc/72/46/39/458724639.db2.gz OWTPFCKJSQBCCL-BZYYEOTJSA-N 2 2 328.500 3.290 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000530232416 458724643 /nfs/dbraw/zinc/72/46/43/458724643.db2.gz OWTPFCKJSQBCCL-BZYYEOTJSA-N 2 2 328.500 3.290 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1)NC(=O)OC(C)(C)C ZINC000494694189 458730378 /nfs/dbraw/zinc/73/03/78/458730378.db2.gz PCILMUXEEFKHCU-HUUCEWRRSA-N 2 2 346.475 3.158 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000439694345 458742095 /nfs/dbraw/zinc/74/20/95/458742095.db2.gz VUUWOFXYDNBSLT-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000439694345 458742098 /nfs/dbraw/zinc/74/20/98/458742098.db2.gz VUUWOFXYDNBSLT-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000547654649 458769385 /nfs/dbraw/zinc/76/93/85/458769385.db2.gz VGLXEYUZKCTXNY-DZGCQCFKSA-N 2 2 346.862 3.167 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000495271442 458823510 /nfs/dbraw/zinc/82/35/10/458823510.db2.gz RTRDZJGGCGFYFW-JKSUJKDBSA-N 2 2 336.480 3.089 20 0 EGADLP CCOc1ccccc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000441202609 458900359 /nfs/dbraw/zinc/90/03/59/458900359.db2.gz FQVXYUAFRVBABL-UHFFFAOYSA-N 2 2 332.488 3.414 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223312 458902491 /nfs/dbraw/zinc/90/24/91/458902491.db2.gz GSPVJVLLQKVHDE-PXNSSMCTSA-N 2 2 349.478 3.348 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223312 458902496 /nfs/dbraw/zinc/90/24/96/458902496.db2.gz GSPVJVLLQKVHDE-PXNSSMCTSA-N 2 2 349.478 3.348 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000466891488 458930481 /nfs/dbraw/zinc/93/04/81/458930481.db2.gz RLJWBMUVNQNCDA-QIJUGHKUSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000466891488 458930486 /nfs/dbraw/zinc/93/04/86/458930486.db2.gz RLJWBMUVNQNCDA-QIJUGHKUSA-N 2 2 338.495 3.009 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000441398517 458935566 /nfs/dbraw/zinc/93/55/66/458935566.db2.gz YJZRBTGAVATDFE-PXNSSMCTSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000441398517 458935569 /nfs/dbraw/zinc/93/55/69/458935569.db2.gz YJZRBTGAVATDFE-PXNSSMCTSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000441398517 458935581 /nfs/dbraw/zinc/93/55/81/458935581.db2.gz YJZRBTGAVATDFE-PXNSSMCTSA-N 2 2 347.547 3.115 20 0 EGADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000519640744 458979273 /nfs/dbraw/zinc/97/92/73/458979273.db2.gz DXHYYUQMPJRISP-UHFFFAOYSA-N 2 2 330.428 3.008 20 0 EGADLP CC(C)COc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000520211372 459039971 /nfs/dbraw/zinc/03/99/71/459039971.db2.gz KFOMOQOXFIWQAO-HDICACEKSA-N 2 2 334.504 3.310 20 0 EGADLP CC(C)COc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000520211372 459039976 /nfs/dbraw/zinc/03/99/76/459039976.db2.gz KFOMOQOXFIWQAO-HDICACEKSA-N 2 2 334.504 3.310 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833797 459044646 /nfs/dbraw/zinc/04/46/46/459044646.db2.gz IKVSHDBNFXFHRE-WBVHZDCISA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833797 459044648 /nfs/dbraw/zinc/04/46/48/459044648.db2.gz IKVSHDBNFXFHRE-WBVHZDCISA-N 2 2 344.421 3.245 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240036 459051826 /nfs/dbraw/zinc/05/18/26/459051826.db2.gz DASGSDJJIXDVFD-HIFRSBDPSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240036 459051828 /nfs/dbraw/zinc/05/18/28/459051828.db2.gz DASGSDJJIXDVFD-HIFRSBDPSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000520397880 459056185 /nfs/dbraw/zinc/05/61/85/459056185.db2.gz MNGLPIOMIBPLOI-KRWDZBQOSA-N 2 2 335.467 3.173 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000520397880 459056191 /nfs/dbraw/zinc/05/61/91/459056191.db2.gz MNGLPIOMIBPLOI-KRWDZBQOSA-N 2 2 335.467 3.173 20 0 EGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000478248848 459083210 /nfs/dbraw/zinc/08/32/10/459083210.db2.gz CAUJQRHTSASPEP-GOSISDBHSA-N 2 2 329.488 3.394 20 0 EGADLP CSCC1(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000594716010 459138938 /nfs/dbraw/zinc/13/89/38/459138938.db2.gz GMUQNLXDRCUNQB-INIZCTEOSA-N 2 2 347.528 3.137 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000594750103 459151113 /nfs/dbraw/zinc/15/11/13/459151113.db2.gz XUCYMJNPRQWQON-UYAOXDASSA-N 2 2 343.515 3.033 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000594750103 459151115 /nfs/dbraw/zinc/15/11/15/459151115.db2.gz XUCYMJNPRQWQON-UYAOXDASSA-N 2 2 343.515 3.033 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477731 459163985 /nfs/dbraw/zinc/16/39/85/459163985.db2.gz HUZRNRBRYXDCIL-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477731 459163989 /nfs/dbraw/zinc/16/39/89/459163989.db2.gz HUZRNRBRYXDCIL-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477731 459163992 /nfs/dbraw/zinc/16/39/92/459163992.db2.gz HUZRNRBRYXDCIL-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477731 459163993 /nfs/dbraw/zinc/16/39/93/459163993.db2.gz HUZRNRBRYXDCIL-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000480036191 459179350 /nfs/dbraw/zinc/17/93/50/459179350.db2.gz DDAODOXHCVFBEW-GDBMZVCRSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000480036191 459179353 /nfs/dbraw/zinc/17/93/53/459179353.db2.gz DDAODOXHCVFBEW-GDBMZVCRSA-N 2 2 340.895 3.356 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000521820392 459179718 /nfs/dbraw/zinc/17/97/18/459179718.db2.gz RRHONJVQAOVTRQ-INIZCTEOSA-N 2 2 330.472 3.442 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000521820392 459179726 /nfs/dbraw/zinc/17/97/26/459179726.db2.gz RRHONJVQAOVTRQ-INIZCTEOSA-N 2 2 330.472 3.442 20 0 EGADLP COC1(C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCCC1 ZINC000480395838 459197483 /nfs/dbraw/zinc/19/74/83/459197483.db2.gz RZPQSTMDLNXDNV-UHFFFAOYSA-N 2 2 326.550 3.287 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310650 459219122 /nfs/dbraw/zinc/21/91/22/459219122.db2.gz RUDPDWQEEWPLIT-SFHVURJKSA-N 2 2 336.483 3.307 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310650 459219129 /nfs/dbraw/zinc/21/91/29/459219129.db2.gz RUDPDWQEEWPLIT-SFHVURJKSA-N 2 2 336.483 3.307 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310650 459219136 /nfs/dbraw/zinc/21/91/36/459219136.db2.gz RUDPDWQEEWPLIT-SFHVURJKSA-N 2 2 336.483 3.307 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310650 459219143 /nfs/dbraw/zinc/21/91/43/459219143.db2.gz RUDPDWQEEWPLIT-SFHVURJKSA-N 2 2 336.483 3.307 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000595074281 459237462 /nfs/dbraw/zinc/23/74/62/459237462.db2.gz WTGBFFJFUGMZNZ-BJVKBHAYSA-N 2 2 348.556 3.176 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000595074281 459237467 /nfs/dbraw/zinc/23/74/67/459237467.db2.gz WTGBFFJFUGMZNZ-BJVKBHAYSA-N 2 2 348.556 3.176 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000559268060 459247538 /nfs/dbraw/zinc/24/75/38/459247538.db2.gz WAYCFBPFAGQMRS-CQSZACIVSA-N 2 2 330.407 3.214 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000559268060 459247542 /nfs/dbraw/zinc/24/75/42/459247542.db2.gz WAYCFBPFAGQMRS-CQSZACIVSA-N 2 2 330.407 3.214 20 0 EGADLP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000568233115 459253830 /nfs/dbraw/zinc/25/38/30/459253830.db2.gz DUXCWXASIJGBRU-UHFFFAOYSA-N 2 2 339.399 3.265 20 0 EGADLP CCC[C@@H](CC1CCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482024983 459286379 /nfs/dbraw/zinc/28/63/79/459286379.db2.gz HVZYGKMJSDCJDS-SFHVURJKSA-N 2 2 337.552 3.125 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734454 459304408 /nfs/dbraw/zinc/30/44/08/459304408.db2.gz MXRWMQBCWIJFOV-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734454 459304413 /nfs/dbraw/zinc/30/44/13/459304413.db2.gz MXRWMQBCWIJFOV-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP CCC(CC)[N@H+](CCOC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560159317 459306162 /nfs/dbraw/zinc/30/61/62/459306162.db2.gz HJSZOQHFRBHGDV-OAQYLSRUSA-N 2 2 348.531 3.415 20 0 EGADLP CCC(CC)[N@@H+](CCOC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560159317 459306170 /nfs/dbraw/zinc/30/61/70/459306170.db2.gz HJSZOQHFRBHGDV-OAQYLSRUSA-N 2 2 348.531 3.415 20 0 EGADLP CCC(CC)[NH+](CCOC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560159317 459306173 /nfs/dbraw/zinc/30/61/73/459306173.db2.gz HJSZOQHFRBHGDV-OAQYLSRUSA-N 2 2 348.531 3.415 20 0 EGADLP CCC(CC)[NH+](CCOC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560159317 459306179 /nfs/dbraw/zinc/30/61/79/459306179.db2.gz HJSZOQHFRBHGDV-OAQYLSRUSA-N 2 2 348.531 3.415 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082574 459309760 /nfs/dbraw/zinc/30/97/60/459309760.db2.gz QAQOSAMQDPRDFW-SJORKVTESA-N 2 2 326.444 3.164 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082574 459309764 /nfs/dbraw/zinc/30/97/64/459309764.db2.gz QAQOSAMQDPRDFW-SJORKVTESA-N 2 2 326.444 3.164 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082573 459310283 /nfs/dbraw/zinc/31/02/83/459310283.db2.gz QAQOSAMQDPRDFW-IRXDYDNUSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082573 459310286 /nfs/dbraw/zinc/31/02/86/459310286.db2.gz QAQOSAMQDPRDFW-IRXDYDNUSA-N 2 2 326.444 3.164 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000496819903 459336161 /nfs/dbraw/zinc/33/61/61/459336161.db2.gz MNDXQFKCDOECHM-NUEKZKHPSA-N 2 2 348.491 3.083 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000496819903 459336163 /nfs/dbraw/zinc/33/61/63/459336163.db2.gz MNDXQFKCDOECHM-NUEKZKHPSA-N 2 2 348.491 3.083 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764255 459341724 /nfs/dbraw/zinc/34/17/24/459341724.db2.gz OPTHYRSRBNPLFH-GUYCJALGSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764255 459341728 /nfs/dbraw/zinc/34/17/28/459341728.db2.gz OPTHYRSRBNPLFH-GUYCJALGSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764279 459341750 /nfs/dbraw/zinc/34/17/50/459341750.db2.gz OVNSJAITEZZOQL-LPHOPBHVSA-N 2 2 342.483 3.325 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764279 459341753 /nfs/dbraw/zinc/34/17/53/459341753.db2.gz OVNSJAITEZZOQL-LPHOPBHVSA-N 2 2 342.483 3.325 20 0 EGADLP Cc1cccc(C)c1OCCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000496952323 459383927 /nfs/dbraw/zinc/38/39/27/459383927.db2.gz SKWAYEIOAHKBBS-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP Cc1cccc(C)c1OCCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000496952323 459383932 /nfs/dbraw/zinc/38/39/32/459383932.db2.gz SKWAYEIOAHKBBS-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+]CC(=O)Nc2cccc(F)c2)c2ccccn21 ZINC000582670728 459407365 /nfs/dbraw/zinc/40/73/65/459407365.db2.gz KUVMJYVTVGHQDU-UHFFFAOYSA-N 2 2 340.402 3.325 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000484514901 459417522 /nfs/dbraw/zinc/41/75/22/459417522.db2.gz XTNLUQZUNVMYOS-WQGACYEGSA-N 2 2 338.879 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000484514901 459417525 /nfs/dbraw/zinc/41/75/25/459417525.db2.gz XTNLUQZUNVMYOS-WQGACYEGSA-N 2 2 338.879 3.491 20 0 EGADLP CCC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OCC ZINC000525249085 459433157 /nfs/dbraw/zinc/43/31/57/459433157.db2.gz WZPSMFGLNQCVLJ-QGZVFWFLSA-N 2 2 338.517 3.282 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743894 459486846 /nfs/dbraw/zinc/48/68/46/459486846.db2.gz ANIRAGJWUADWBI-RBUKOAKNSA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743894 459486853 /nfs/dbraw/zinc/48/68/53/459486853.db2.gz ANIRAGJWUADWBI-RBUKOAKNSA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743896 459487190 /nfs/dbraw/zinc/48/71/90/459487190.db2.gz ANIRAGJWUADWBI-RTBURBONSA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743896 459487192 /nfs/dbraw/zinc/48/71/92/459487192.db2.gz ANIRAGJWUADWBI-RTBURBONSA-N 2 2 326.488 3.025 20 0 EGADLP CC(=O)N(c1nc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cs1)c1ccc(C)cc1 ZINC000583440559 459538456 /nfs/dbraw/zinc/53/84/56/459538456.db2.gz KUMPXRRYDXWURJ-KBPBESRZSA-N 2 2 346.500 3.352 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000542312792 459546990 /nfs/dbraw/zinc/54/69/90/459546990.db2.gz FDDSAYNBEKNXJV-STZQEDGTSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000542312792 459546992 /nfs/dbraw/zinc/54/69/92/459546992.db2.gz FDDSAYNBEKNXJV-STZQEDGTSA-N 2 2 338.495 3.405 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(C(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000526981870 459570314 /nfs/dbraw/zinc/57/03/14/459570314.db2.gz VDVSACDJTBAHGU-HXUWFJFHSA-N 2 2 346.421 3.351 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(C(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000526981870 459570321 /nfs/dbraw/zinc/57/03/21/459570321.db2.gz VDVSACDJTBAHGU-HXUWFJFHSA-N 2 2 346.421 3.351 20 0 EGADLP CC(C)[N@H+](C)CC1CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000562690217 459623561 /nfs/dbraw/zinc/62/35/61/459623561.db2.gz GMDICYCHTZSMPO-UHFFFAOYSA-N 2 2 341.503 3.252 20 0 EGADLP CC(C)[N@@H+](C)CC1CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000562690217 459623564 /nfs/dbraw/zinc/62/35/64/459623564.db2.gz GMDICYCHTZSMPO-UHFFFAOYSA-N 2 2 341.503 3.252 20 0 EGADLP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000562984850 459685862 /nfs/dbraw/zinc/68/58/62/459685862.db2.gz LYMDFISGBUMDGC-DLBZAZTESA-N 2 2 335.451 3.457 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527657352 459687660 /nfs/dbraw/zinc/68/76/60/459687660.db2.gz PLIMTWTZQSUENN-JTQLQIEISA-N 2 2 333.220 3.159 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527657352 459687666 /nfs/dbraw/zinc/68/76/66/459687666.db2.gz PLIMTWTZQSUENN-JTQLQIEISA-N 2 2 333.220 3.159 20 0 EGADLP Cc1cccc(C([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2cccc(C)c2)c1 ZINC000562992105 459688303 /nfs/dbraw/zinc/68/83/03/459688303.db2.gz SCYQNBHYTJQVQE-NRFANRHFSA-N 2 2 338.495 3.438 20 0 EGADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000527662756 459689699 /nfs/dbraw/zinc/68/96/99/459689699.db2.gz RUVXFFOPOLKMEQ-LBPRGKRZSA-N 2 2 348.434 3.357 20 0 EGADLP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000584346887 459716229 /nfs/dbraw/zinc/71/62/29/459716229.db2.gz LEHWOFYSFIBYIR-DSKINZAPSA-N 2 2 342.483 3.016 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527753229 459725078 /nfs/dbraw/zinc/72/50/78/459725078.db2.gz SMEGMXZYDQNVIJ-IBGZPJMESA-N 2 2 349.563 3.410 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527753229 459725084 /nfs/dbraw/zinc/72/50/84/459725084.db2.gz SMEGMXZYDQNVIJ-IBGZPJMESA-N 2 2 349.563 3.410 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000527760452 459727513 /nfs/dbraw/zinc/72/75/13/459727513.db2.gz CHFAXBXWDWAAJG-UZLBHIALSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@H+]1Cc1ccccc1 ZINC000527760452 459727514 /nfs/dbraw/zinc/72/75/14/459727514.db2.gz CHFAXBXWDWAAJG-UZLBHIALSA-N 2 2 334.467 3.326 20 0 EGADLP O[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000573774949 459731337 /nfs/dbraw/zinc/73/13/37/459731337.db2.gz QZBGJHRWNQRPLX-SFTDATJTSA-N 2 2 342.458 3.156 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000584739575 459794082 /nfs/dbraw/zinc/79/40/82/459794082.db2.gz ACYQSSAYMHVGTC-IRXDYDNUSA-N 2 2 347.507 3.014 20 0 EGADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000584739575 459794085 /nfs/dbraw/zinc/79/40/85/459794085.db2.gz ACYQSSAYMHVGTC-IRXDYDNUSA-N 2 2 347.507 3.014 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000574430573 459817911 /nfs/dbraw/zinc/81/79/11/459817911.db2.gz RYMSORYBNXIPKY-GDBMZVCRSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000574430573 459817916 /nfs/dbraw/zinc/81/79/16/459817916.db2.gz RYMSORYBNXIPKY-GDBMZVCRSA-N 2 2 346.862 3.354 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905889 459869216 /nfs/dbraw/zinc/86/92/16/459869216.db2.gz IUBOIWBXOOSVKG-HNNXBMFYSA-N 2 2 329.488 3.355 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905889 459869220 /nfs/dbraw/zinc/86/92/20/459869220.db2.gz IUBOIWBXOOSVKG-HNNXBMFYSA-N 2 2 329.488 3.355 20 0 EGADLP CN(CCC[N@H+](C)Cc1csc(Cl)c1Cl)CC[NH+](C)C ZINC000575095669 459924646 /nfs/dbraw/zinc/92/46/46/459924646.db2.gz OTIITOCCUBHZHZ-UHFFFAOYSA-N 2 2 338.348 3.370 20 0 EGADLP CN(CCC[N@@H+](C)Cc1csc(Cl)c1Cl)CC[NH+](C)C ZINC000575095669 459924653 /nfs/dbraw/zinc/92/46/53/459924653.db2.gz OTIITOCCUBHZHZ-UHFFFAOYSA-N 2 2 338.348 3.370 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000621752358 460049786 /nfs/dbraw/zinc/04/97/86/460049786.db2.gz YLQISGDVJLDOJN-GOSISDBHSA-N 2 2 338.455 3.361 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300490 460068310 /nfs/dbraw/zinc/06/83/10/460068310.db2.gz CAOOTTBYJORJHR-UFYCRDLUSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300490 460068316 /nfs/dbraw/zinc/06/83/16/460068316.db2.gz CAOOTTBYJORJHR-UFYCRDLUSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300490 460068318 /nfs/dbraw/zinc/06/83/18/460068318.db2.gz CAOOTTBYJORJHR-UFYCRDLUSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300490 460068323 /nfs/dbraw/zinc/06/83/23/460068323.db2.gz CAOOTTBYJORJHR-UFYCRDLUSA-N 2 2 344.499 3.028 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000625221910 460077501 /nfs/dbraw/zinc/07/75/01/460077501.db2.gz MGCVNAZGGAIMII-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000625221910 460077508 /nfs/dbraw/zinc/07/75/08/460077508.db2.gz MGCVNAZGGAIMII-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221910 460077511 /nfs/dbraw/zinc/07/75/11/460077511.db2.gz MGCVNAZGGAIMII-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221910 460077517 /nfs/dbraw/zinc/07/75/17/460077517.db2.gz MGCVNAZGGAIMII-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP CC[C@H](C[NH2+]Cc1[nH]nc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000589638981 460116837 /nfs/dbraw/zinc/11/68/37/460116837.db2.gz KLIHZZUNIWSMML-GOSISDBHSA-N 2 2 334.467 3.489 20 0 EGADLP CC[C@H](C[NH2+]Cc1[nH]nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000589638981 460116842 /nfs/dbraw/zinc/11/68/42/460116842.db2.gz KLIHZZUNIWSMML-GOSISDBHSA-N 2 2 334.467 3.489 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000576704266 460197355 /nfs/dbraw/zinc/19/73/55/460197355.db2.gz GBRGYYDIBLAHRD-PXNSSMCTSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000576704266 460197362 /nfs/dbraw/zinc/19/73/62/460197362.db2.gz GBRGYYDIBLAHRD-PXNSSMCTSA-N 2 2 337.467 3.346 20 0 EGADLP c1ccc2c(c1)cccc2OCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625553880 460204861 /nfs/dbraw/zinc/20/48/61/460204861.db2.gz SGJZVMQOBFPALY-UHFFFAOYSA-N 2 2 340.467 3.015 20 0 EGADLP FC1(F)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000625770816 460257638 /nfs/dbraw/zinc/25/76/38/460257638.db2.gz UCXLLDXIZMBUAW-SFHVURJKSA-N 2 2 338.442 3.399 20 0 EGADLP FC1(F)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000625770816 460257641 /nfs/dbraw/zinc/25/76/41/460257641.db2.gz UCXLLDXIZMBUAW-SFHVURJKSA-N 2 2 338.442 3.399 20 0 EGADLP FC1(F)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000625770816 460257645 /nfs/dbraw/zinc/25/76/45/460257645.db2.gz UCXLLDXIZMBUAW-SFHVURJKSA-N 2 2 338.442 3.399 20 0 EGADLP FC1(F)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000625770816 460257650 /nfs/dbraw/zinc/25/76/50/460257650.db2.gz UCXLLDXIZMBUAW-SFHVURJKSA-N 2 2 338.442 3.399 20 0 EGADLP Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000615308359 460307661 /nfs/dbraw/zinc/30/76/61/460307661.db2.gz MHWDLLOMAVEQFX-CRAIPNDOSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)C2 ZINC000615559064 460346406 /nfs/dbraw/zinc/34/64/06/460346406.db2.gz CSPOUHTUMXQVKI-CQSZACIVSA-N 2 2 349.438 3.076 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)CC2 ZINC000615559064 460346411 /nfs/dbraw/zinc/34/64/11/460346411.db2.gz CSPOUHTUMXQVKI-CQSZACIVSA-N 2 2 349.438 3.076 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c[nH+]1 ZINC000616117045 460477141 /nfs/dbraw/zinc/47/71/41/460477141.db2.gz YQZQKSSUJMIMHE-FQEVSTJZSA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ncc(Br)cc1F)C(C)(C)C ZINC000623421920 460538987 /nfs/dbraw/zinc/53/89/87/460538987.db2.gz BONAICKCANCRAH-AWEZNQCLSA-N 2 2 346.288 3.439 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000629548802 460803880 /nfs/dbraw/zinc/80/38/80/460803880.db2.gz YOLPVPHLJIHIJF-NOLJZWGESA-N 2 2 325.859 3.178 20 0 EGADLP O[C@@H](CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C[NH+]1CCCC1 ZINC000629582730 460814767 /nfs/dbraw/zinc/81/47/67/460814767.db2.gz YKRDMKASUMEUKP-KRWDZBQOSA-N 2 2 336.439 3.099 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000629651074 460847421 /nfs/dbraw/zinc/84/74/21/460847421.db2.gz JAOGEGWLNJYHMC-UHFFFAOYSA-N 2 2 331.847 3.373 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000629651074 460847425 /nfs/dbraw/zinc/84/74/25/460847425.db2.gz JAOGEGWLNJYHMC-UHFFFAOYSA-N 2 2 331.847 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000624122341 460872696 /nfs/dbraw/zinc/87/26/96/460872696.db2.gz OOHVBHXQWRUVQI-WDEREUQCSA-N 2 2 332.311 3.288 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000624122341 460872698 /nfs/dbraw/zinc/87/26/98/460872698.db2.gz OOHVBHXQWRUVQI-WDEREUQCSA-N 2 2 332.311 3.288 20 0 EGADLP CCOCCCNc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)c[nH+]1 ZINC000629709092 460880758 /nfs/dbraw/zinc/88/07/58/460880758.db2.gz OGACJHINAVZRRM-UHFFFAOYSA-N 2 2 331.435 3.210 20 0 EGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000607751564 460898593 /nfs/dbraw/zinc/89/85/93/460898593.db2.gz JOOZBCGJAZBQGJ-QPCUUSJWSA-N 2 2 332.532 3.247 20 0 EGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000607751564 460898597 /nfs/dbraw/zinc/89/85/97/460898597.db2.gz JOOZBCGJAZBQGJ-QPCUUSJWSA-N 2 2 332.532 3.247 20 0 EGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624228062 460920730 /nfs/dbraw/zinc/92/07/30/460920730.db2.gz HJWCOKLBKWGXJG-WOJBJXKFSA-N 2 2 344.886 3.280 20 0 EGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624228062 460920733 /nfs/dbraw/zinc/92/07/33/460920733.db2.gz HJWCOKLBKWGXJG-WOJBJXKFSA-N 2 2 344.886 3.280 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cs2)cc1 ZINC000608061326 460974959 /nfs/dbraw/zinc/97/49/59/460974959.db2.gz ORIYFFWWKZQTBA-UKRRQHHQSA-N 2 2 331.485 3.391 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cs2)cc1 ZINC000608061326 460974961 /nfs/dbraw/zinc/97/49/61/460974961.db2.gz ORIYFFWWKZQTBA-UKRRQHHQSA-N 2 2 331.485 3.391 20 0 EGADLP Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)o1 ZINC000608070341 460976498 /nfs/dbraw/zinc/97/64/98/460976498.db2.gz DSUAZEAJJBQTDS-UHFFFAOYSA-N 2 2 333.863 3.283 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000608084886 460981038 /nfs/dbraw/zinc/98/10/38/460981038.db2.gz MJWSSPLQOWTHCU-OAHLLOKOSA-N 2 2 342.491 3.266 20 0 EGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628187544 461039948 /nfs/dbraw/zinc/03/99/48/461039948.db2.gz SQNZHLNRNWJQSZ-IBGZPJMESA-N 2 2 326.488 3.371 20 0 EGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628187544 461039949 /nfs/dbraw/zinc/03/99/49/461039949.db2.gz SQNZHLNRNWJQSZ-IBGZPJMESA-N 2 2 326.488 3.371 20 0 EGADLP Cc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ncc1Br ZINC000628244227 461061654 /nfs/dbraw/zinc/06/16/54/461061654.db2.gz XPFQUBISRJAKIE-UHFFFAOYSA-N 2 2 338.293 3.213 20 0 EGADLP Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ncc1Br ZINC000628244227 461061660 /nfs/dbraw/zinc/06/16/60/461061660.db2.gz XPFQUBISRJAKIE-UHFFFAOYSA-N 2 2 338.293 3.213 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C4CCCC3CCC4)c2cc1C ZINC000608499691 461076412 /nfs/dbraw/zinc/07/64/12/461076412.db2.gz VMZIHQFGBABNPP-ABHNRTSZSA-N 2 2 327.472 3.421 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)[nH+]1 ZINC000659013984 461138257 /nfs/dbraw/zinc/13/82/57/461138257.db2.gz BHSWMMRCARHPBN-KRWDZBQOSA-N 2 2 330.476 3.250 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n1C ZINC000668166688 461152034 /nfs/dbraw/zinc/15/20/34/461152034.db2.gz DXZFJOOYKDJOQC-MRXNPFEDSA-N 2 2 342.491 3.274 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n1C ZINC000668166688 461152044 /nfs/dbraw/zinc/15/20/44/461152044.db2.gz DXZFJOOYKDJOQC-MRXNPFEDSA-N 2 2 342.491 3.274 20 0 EGADLP CCCn1nccc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000668228356 461193549 /nfs/dbraw/zinc/19/35/49/461193549.db2.gz GRLIPHZFBWYFEH-UHFFFAOYSA-N 2 2 332.414 3.142 20 0 EGADLP CCCn1nccc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000668228356 461193556 /nfs/dbraw/zinc/19/35/56/461193556.db2.gz GRLIPHZFBWYFEH-UHFFFAOYSA-N 2 2 332.414 3.142 20 0 EGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638183595 461294680 /nfs/dbraw/zinc/29/46/80/461294680.db2.gz VAXXCLXYIAKTBB-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638183595 461294681 /nfs/dbraw/zinc/29/46/81/461294681.db2.gz VAXXCLXYIAKTBB-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638183595 461294684 /nfs/dbraw/zinc/29/46/84/461294684.db2.gz VAXXCLXYIAKTBB-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638183595 461294685 /nfs/dbraw/zinc/29/46/85/461294685.db2.gz VAXXCLXYIAKTBB-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP O=c1[nH]c2ccc(C[NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)cc2[nH]1 ZINC000641701957 461327230 /nfs/dbraw/zinc/32/72/30/461327230.db2.gz ZCZKZNIZKJFBGX-LJQANCHMSA-N 2 2 336.439 3.195 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C[C@H](C)O1 ZINC000638320351 461366878 /nfs/dbraw/zinc/36/68/78/461366878.db2.gz ZRJDEWZSRDCOSL-OKILXGFUSA-N 2 2 349.425 3.102 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C[C@H](C)O1 ZINC000638320351 461366887 /nfs/dbraw/zinc/36/68/87/461366887.db2.gz ZRJDEWZSRDCOSL-OKILXGFUSA-N 2 2 349.425 3.102 20 0 EGADLP c1csc(-c2nc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)co2)c1 ZINC000655699959 461371849 /nfs/dbraw/zinc/37/18/49/461371849.db2.gz IKFPUESFCCIADA-MRXNPFEDSA-N 2 2 347.484 3.136 20 0 EGADLP CC(C)(C)c1csc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655711499 461381218 /nfs/dbraw/zinc/38/12/18/461381218.db2.gz HBTSIMKOWZIBIU-HNNXBMFYSA-N 2 2 337.533 3.174 20 0 EGADLP COc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655718299 461387390 /nfs/dbraw/zinc/38/73/90/461387390.db2.gz IOOBJZWGKMMDIU-PMACEKPBSA-N 2 2 346.515 3.105 20 0 EGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(OCC2CC2)c1 ZINC000655721337 461391510 /nfs/dbraw/zinc/39/15/10/461391510.db2.gz NNKTZVKZHPDEFK-HXUWFJFHSA-N 2 2 344.499 3.127 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000668740628 461409274 /nfs/dbraw/zinc/40/92/74/461409274.db2.gz KOXDOCSMKPCEII-LJQANCHMSA-N 2 2 344.499 3.039 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000668740628 461409278 /nfs/dbraw/zinc/40/92/78/461409278.db2.gz KOXDOCSMKPCEII-LJQANCHMSA-N 2 2 344.499 3.039 20 0 EGADLP c1cn2c([nH+]1)[C@@H](Nc1cccc(C[NH+]3CCSCC3)c1)CCC2 ZINC000655744916 461412372 /nfs/dbraw/zinc/41/23/72/461412372.db2.gz XFBLDHQZNRMIGP-KRWDZBQOSA-N 2 2 328.485 3.379 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000655768083 461434095 /nfs/dbraw/zinc/43/40/95/461434095.db2.gz PEMLFUVKUIICAQ-FCEWJHQRSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000655768083 461434104 /nfs/dbraw/zinc/43/41/04/461434104.db2.gz PEMLFUVKUIICAQ-FCEWJHQRSA-N 2 2 325.456 3.404 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]CCCc2cnn(C)c2)[NH+]2CCCC2)cc1 ZINC000638453560 461435467 /nfs/dbraw/zinc/43/54/67/461435467.db2.gz FHHZNVWUSTTYOI-HXUWFJFHSA-N 2 2 326.488 3.088 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)[NH+]2CCCC2)cc1 ZINC000638455261 461437400 /nfs/dbraw/zinc/43/74/00/461437400.db2.gz VNKDMCIXLKLDGE-HOJAQTOUSA-N 2 2 343.515 3.169 20 0 EGADLP C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072122 461487826 /nfs/dbraw/zinc/48/78/26/461487826.db2.gz DWGXSHFSXSCLDM-NVXWUHKLSA-N 2 2 345.512 3.117 20 0 EGADLP Cc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(F)c1 ZINC000631061601 461513801 /nfs/dbraw/zinc/51/38/01/461513801.db2.gz CGSQONHPBLIRIX-OAQYLSRUSA-N 2 2 341.474 3.212 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631063282 461515397 /nfs/dbraw/zinc/51/53/97/461515397.db2.gz AFMRINFIDAODHV-CYBMUJFWSA-N 2 2 326.282 3.054 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631063282 461515403 /nfs/dbraw/zinc/51/54/03/461515403.db2.gz AFMRINFIDAODHV-CYBMUJFWSA-N 2 2 326.282 3.054 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631069913 461521958 /nfs/dbraw/zinc/52/19/58/461521958.db2.gz YFNCBXMYOHDKOR-GOSISDBHSA-N 2 2 331.504 3.128 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631069913 461521966 /nfs/dbraw/zinc/52/19/66/461521966.db2.gz YFNCBXMYOHDKOR-GOSISDBHSA-N 2 2 331.504 3.128 20 0 EGADLP CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653158017 461528892 /nfs/dbraw/zinc/52/88/92/461528892.db2.gz SWWIJUGNORRQAX-RBUKOAKNSA-N 2 2 331.504 3.143 20 0 EGADLP COc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000638672410 461529504 /nfs/dbraw/zinc/52/95/04/461529504.db2.gz YCXKGSPOFYVBNA-WFASDCNBSA-N 2 2 337.514 3.386 20 0 EGADLP COc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000638672410 461529508 /nfs/dbraw/zinc/52/95/08/461529508.db2.gz YCXKGSPOFYVBNA-WFASDCNBSA-N 2 2 337.514 3.386 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccnn1CC(C)C ZINC000647167619 461537491 /nfs/dbraw/zinc/53/74/91/461537491.db2.gz MLEQMIBZQGSOJC-UHFFFAOYSA-N 2 2 325.460 3.377 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000660127004 461599799 /nfs/dbraw/zinc/59/97/99/461599799.db2.gz DJCSYIQULHUCED-CQSZACIVSA-N 2 2 326.400 3.006 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000660127004 461599805 /nfs/dbraw/zinc/59/98/05/461599805.db2.gz DJCSYIQULHUCED-CQSZACIVSA-N 2 2 326.400 3.006 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000631171241 461609799 /nfs/dbraw/zinc/60/97/99/461609799.db2.gz PFAVJKXCEMSLPG-OALUTQOASA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000631171241 461609806 /nfs/dbraw/zinc/60/98/06/461609806.db2.gz PFAVJKXCEMSLPG-OALUTQOASA-N 2 2 343.515 3.271 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000660194287 461629021 /nfs/dbraw/zinc/62/90/21/461629021.db2.gz HUXILYJRFSPIHG-HXUWFJFHSA-N 2 2 326.484 3.241 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000660194287 461629029 /nfs/dbraw/zinc/62/90/29/461629029.db2.gz HUXILYJRFSPIHG-HXUWFJFHSA-N 2 2 326.484 3.241 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000656251276 461673604 /nfs/dbraw/zinc/67/36/04/461673604.db2.gz IFODCGDXYHFZHN-UHFFFAOYSA-N 2 2 326.488 3.452 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000631261721 461681676 /nfs/dbraw/zinc/68/16/76/461681676.db2.gz LIIJLAFIVITFHR-HZPDHXFCSA-N 2 2 330.369 3.373 20 0 EGADLP CCSc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000656281179 461703632 /nfs/dbraw/zinc/70/36/32/461703632.db2.gz QQJQZKCAWALWQI-GOSISDBHSA-N 2 2 334.529 3.485 20 0 EGADLP CCSc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000656281179 461703637 /nfs/dbraw/zinc/70/36/37/461703637.db2.gz QQJQZKCAWALWQI-GOSISDBHSA-N 2 2 334.529 3.485 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467622 461736569 /nfs/dbraw/zinc/73/65/69/461736569.db2.gz DMUSXLYHXJOBRL-MISYRCLQSA-N 2 2 341.499 3.003 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1OC(F)F ZINC000647498606 461737791 /nfs/dbraw/zinc/73/77/91/461737791.db2.gz KYMRNOVHPRQYHB-OCCSQVGLSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1OC(F)F ZINC000647498606 461737800 /nfs/dbraw/zinc/73/78/00/461737800.db2.gz KYMRNOVHPRQYHB-OCCSQVGLSA-N 2 2 328.403 3.246 20 0 EGADLP COc1nc(C)cc(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000643472481 461741796 /nfs/dbraw/zinc/74/17/96/461741796.db2.gz FHVAWKXNIDGDPW-PKOBYXMFSA-N 2 2 325.456 3.290 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCCO1 ZINC000639120012 461741769 /nfs/dbraw/zinc/74/17/69/461741769.db2.gz KOGHTRDWZNNFML-CQSZACIVSA-N 2 2 349.425 3.104 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCCO1 ZINC000639120012 461741774 /nfs/dbraw/zinc/74/17/74/461741774.db2.gz KOGHTRDWZNNFML-CQSZACIVSA-N 2 2 349.425 3.104 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501756 461747441 /nfs/dbraw/zinc/74/74/41/461747441.db2.gz PIKKSPRMSMDSAR-ABAIWWIYSA-N 2 2 327.241 3.307 20 0 EGADLP [NH3+][C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccccc1 ZINC000643508870 461749182 /nfs/dbraw/zinc/74/91/82/461749182.db2.gz LZSNWSYCNFZHQC-JGCRXCKMSA-N 2 2 335.451 3.109 20 0 EGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643537611 461756180 /nfs/dbraw/zinc/75/61/80/461756180.db2.gz MWJFDYFUMYDMHP-CMKODMSKSA-N 2 2 346.421 3.408 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000643537677 461757625 /nfs/dbraw/zinc/75/76/25/461757625.db2.gz OEBYGGAURPSBLA-UGFHNGPFSA-N 2 2 336.842 3.185 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)cc1F ZINC000643548320 461761300 /nfs/dbraw/zinc/76/13/00/461761300.db2.gz NOXBVYXYHVGBKT-PWSUYJOCSA-N 2 2 342.256 3.309 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1 ZINC000656503622 461769831 /nfs/dbraw/zinc/76/98/31/461769831.db2.gz VANSWSCZGOARGU-GOSISDBHSA-N 2 2 333.439 3.161 20 0 EGADLP COc1cc(Cl)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000639177523 461783116 /nfs/dbraw/zinc/78/31/16/461783116.db2.gz DZVPFOGGPVBWGL-IUODEOHRSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000639177523 461783120 /nfs/dbraw/zinc/78/31/20/461783120.db2.gz DZVPFOGGPVBWGL-IUODEOHRSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000639177523 461783125 /nfs/dbraw/zinc/78/31/25/461783125.db2.gz DZVPFOGGPVBWGL-IUODEOHRSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000639177523 461783129 /nfs/dbraw/zinc/78/31/29/461783129.db2.gz DZVPFOGGPVBWGL-IUODEOHRSA-N 2 2 326.868 3.129 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666766823 461793849 /nfs/dbraw/zinc/79/38/49/461793849.db2.gz GLSBUVXBDZPWRZ-IBGZPJMESA-N 2 2 326.488 3.088 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc(C)n1 ZINC000660484853 461805125 /nfs/dbraw/zinc/80/51/25/461805125.db2.gz CUCOBCKGHHIHOC-HXUWFJFHSA-N 2 2 338.499 3.484 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc(C)n1 ZINC000660484853 461805129 /nfs/dbraw/zinc/80/51/29/461805129.db2.gz CUCOBCKGHHIHOC-HXUWFJFHSA-N 2 2 338.499 3.484 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H]1C ZINC000669908654 461834850 /nfs/dbraw/zinc/83/48/50/461834850.db2.gz DWXGQXNYDHBXBQ-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H]1C ZINC000669908654 461834858 /nfs/dbraw/zinc/83/48/58/461834858.db2.gz DWXGQXNYDHBXBQ-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000660540129 461841185 /nfs/dbraw/zinc/84/11/85/461841185.db2.gz PMNMQKMYRLDPRL-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000660540129 461841192 /nfs/dbraw/zinc/84/11/92/461841192.db2.gz PMNMQKMYRLDPRL-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000660540129 461841200 /nfs/dbraw/zinc/84/12/00/461841200.db2.gz PMNMQKMYRLDPRL-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sn1 ZINC000660540129 461841208 /nfs/dbraw/zinc/84/12/08/461841208.db2.gz PMNMQKMYRLDPRL-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP Cc1ccc2oc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2c1 ZINC000656711912 461855525 /nfs/dbraw/zinc/85/55/25/461855525.db2.gz CCJICXFLVODHRR-LJQANCHMSA-N 2 2 338.451 3.324 20 0 EGADLP Cc1ccc2oc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2c1 ZINC000656711912 461855530 /nfs/dbraw/zinc/85/55/30/461855530.db2.gz CCJICXFLVODHRR-LJQANCHMSA-N 2 2 338.451 3.324 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000639330564 461864715 /nfs/dbraw/zinc/86/47/15/461864715.db2.gz MMQHUAUPFDRUOT-FNEOHHHZSA-N 2 2 328.500 3.156 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000639330564 461864721 /nfs/dbraw/zinc/86/47/21/461864721.db2.gz MMQHUAUPFDRUOT-FNEOHHHZSA-N 2 2 328.500 3.156 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCCC1 ZINC000656789752 461899348 /nfs/dbraw/zinc/89/93/48/461899348.db2.gz XCRQOONRFNLYEZ-UHFFFAOYSA-N 2 2 349.219 3.412 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1)c1cccc2ccccc21 ZINC000647925254 461888668 /nfs/dbraw/zinc/88/86/68/461888668.db2.gz ADXULJFZRZKNGN-HZPDHXFCSA-N 2 2 339.483 3.219 20 0 EGADLP c1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCC[NH2+]C2)cc1 ZINC000656784856 461893897 /nfs/dbraw/zinc/89/38/97/461893897.db2.gz DCSVGMMRNTZVPL-QFIPXVFZSA-N 3 2 335.495 3.087 20 0 EGADLP c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCC[NH2+]C2)cc1 ZINC000656784856 461893903 /nfs/dbraw/zinc/89/39/03/461893903.db2.gz DCSVGMMRNTZVPL-QFIPXVFZSA-N 3 2 335.495 3.087 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]C2(Cc3cccc(F)c3)CCOCC2)C1 ZINC000660640694 461894997 /nfs/dbraw/zinc/89/49/97/461894997.db2.gz SDJFLUWIQIWHPX-HDICACEKSA-N 2 2 348.506 3.485 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]C2(Cc3cccc(F)c3)CCOCC2)C1 ZINC000660640694 461895003 /nfs/dbraw/zinc/89/50/03/461895003.db2.gz SDJFLUWIQIWHPX-HDICACEKSA-N 2 2 348.506 3.485 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000639376355 461896410 /nfs/dbraw/zinc/89/64/10/461896410.db2.gz FBWLYQWUPIIZEL-UHFFFAOYSA-N 2 2 326.488 3.483 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647939848 461896747 /nfs/dbraw/zinc/89/67/47/461896747.db2.gz CODBZVCSRRQJEQ-LALPHHSUSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647939848 461896752 /nfs/dbraw/zinc/89/67/52/461896752.db2.gz CODBZVCSRRQJEQ-LALPHHSUSA-N 2 2 343.393 3.092 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663017 461912851 /nfs/dbraw/zinc/91/28/51/461912851.db2.gz MMXHHPRLKQKHJH-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663017 461912854 /nfs/dbraw/zinc/91/28/54/461912854.db2.gz MMXHHPRLKQKHJH-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663017 461912861 /nfs/dbraw/zinc/91/28/61/461912861.db2.gz MMXHHPRLKQKHJH-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663017 461912865 /nfs/dbraw/zinc/91/28/65/461912865.db2.gz MMXHHPRLKQKHJH-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP COc1ccccc1OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677830 461921550 /nfs/dbraw/zinc/92/15/50/461921550.db2.gz JVCYBVAOCCXQKU-UHFFFAOYSA-N 2 2 340.467 3.328 20 0 EGADLP CC(=O)Nc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660679683 461922522 /nfs/dbraw/zinc/92/25/22/461922522.db2.gz RZWOJPZHJWEIQC-UHFFFAOYSA-N 2 2 337.467 3.399 20 0 EGADLP O=C(NC[C@H]1CCCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000667099706 461949141 /nfs/dbraw/zinc/94/91/41/461949141.db2.gz TUHVIDBCTTZAMW-OAHLLOKOSA-N 2 2 326.400 3.138 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000667099566 461949549 /nfs/dbraw/zinc/94/95/49/461949549.db2.gz BDSAUWBQYNGQOE-RDTXWAMCSA-N 2 2 338.411 3.090 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000667119060 461958733 /nfs/dbraw/zinc/95/87/33/461958733.db2.gz HPRCBRQPIFZWQX-SFHVURJKSA-N 2 2 338.455 3.403 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000667119060 461958738 /nfs/dbraw/zinc/95/87/38/461958738.db2.gz HPRCBRQPIFZWQX-SFHVURJKSA-N 2 2 338.455 3.403 20 0 EGADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(=O)NCc1cccs1 ZINC000648062191 461964062 /nfs/dbraw/zinc/96/40/62/461964062.db2.gz FSGUZUTYLXITLO-QGZVFWFLSA-N 2 2 331.485 3.069 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)n1-c1ccccc1 ZINC000644580212 461994358 /nfs/dbraw/zinc/99/43/58/461994358.db2.gz HIARQTMFHBCBLF-KKSFZXQISA-N 2 2 335.451 3.435 20 0 EGADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852001 461994834 /nfs/dbraw/zinc/99/48/34/461994834.db2.gz CNZCOCRIAGTYAC-AWEZNQCLSA-N 2 2 342.487 3.121 20 0 EGADLP CCCn1nccc1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000657297038 462024339 /nfs/dbraw/zinc/02/43/39/462024339.db2.gz HAKNEJBGSJUUPK-UHFFFAOYSA-N 2 2 326.488 3.220 20 0 EGADLP CCCn1nccc1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000657297038 462024343 /nfs/dbraw/zinc/02/43/43/462024343.db2.gz HAKNEJBGSJUUPK-UHFFFAOYSA-N 2 2 326.488 3.220 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)co2)c1 ZINC000639660639 462043575 /nfs/dbraw/zinc/04/35/75/462043575.db2.gz WCLWLRUPEAEYAF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)co2)c1 ZINC000639660639 462043581 /nfs/dbraw/zinc/04/35/81/462043581.db2.gz WCLWLRUPEAEYAF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)co2)c1 ZINC000639660639 462043586 /nfs/dbraw/zinc/04/35/86/462043586.db2.gz WCLWLRUPEAEYAF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)co2)c1 ZINC000639660639 462043592 /nfs/dbraw/zinc/04/35/92/462043592.db2.gz WCLWLRUPEAEYAF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccn1 ZINC000657357121 462069092 /nfs/dbraw/zinc/06/90/92/462069092.db2.gz XWNJXZFHQBJQEC-OAHLLOKOSA-N 2 2 328.460 3.328 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000657364042 462073738 /nfs/dbraw/zinc/07/37/38/462073738.db2.gz SAEJWCGTGAWCAT-CZUORRHYSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000657364042 462073743 /nfs/dbraw/zinc/07/37/43/462073743.db2.gz SAEJWCGTGAWCAT-CZUORRHYSA-N 2 2 344.421 3.331 20 0 EGADLP CCOc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1OC(F)F ZINC000657392798 462094096 /nfs/dbraw/zinc/09/40/96/462094096.db2.gz COMHCPIEWIFZOO-UHFFFAOYSA-N 2 2 337.370 3.119 20 0 EGADLP Brc1ccc(/C=C/C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657479097 462148462 /nfs/dbraw/zinc/14/84/62/462148462.db2.gz IEHKLCPMSJHUDT-HNQUOIGGSA-N 2 2 332.245 3.395 20 0 EGADLP COc1cccc([C@H](CNc2[nH+]cnc3[nH]c(C)c(C)c32)[NH+](C)C)c1 ZINC000645096974 462177069 /nfs/dbraw/zinc/17/70/69/462177069.db2.gz LSDREFQHTHSXQI-INIZCTEOSA-N 2 2 339.443 3.298 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1)C1CCCC1 ZINC000639982115 462203485 /nfs/dbraw/zinc/20/34/85/462203485.db2.gz GEFFVVGVOMHHHU-UHFFFAOYSA-N 2 2 335.536 3.116 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000639987942 462206863 /nfs/dbraw/zinc/20/68/63/462206863.db2.gz LLJVZWCDGGSKRP-KRWDZBQOSA-N 2 2 330.472 3.167 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000639987393 462207720 /nfs/dbraw/zinc/20/77/20/462207720.db2.gz CXSVXMNSZQNSAJ-HDICACEKSA-N 2 2 335.536 3.116 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000657689433 462231429 /nfs/dbraw/zinc/23/14/29/462231429.db2.gz XLJOHVUUGXMFAB-ICSRJNTNSA-N 2 2 335.455 3.107 20 0 EGADLP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)CC1CC1 ZINC000657712848 462240169 /nfs/dbraw/zinc/24/01/69/462240169.db2.gz BBLBNIMZADJYMC-MRXNPFEDSA-N 2 2 336.907 3.303 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645223619 462242098 /nfs/dbraw/zinc/24/20/98/462242098.db2.gz KRVQCSYHHQQQHL-UHFFFAOYSA-N 2 2 326.448 3.250 20 0 EGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750200 462250685 /nfs/dbraw/zinc/25/06/85/462250685.db2.gz CSIPDZKAGDAYQL-OAHLLOKOSA-N 2 2 346.368 3.187 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000657800151 462273756 /nfs/dbraw/zinc/27/37/56/462273756.db2.gz HLQYKIZUCGBQLR-RTBURBONSA-N 2 2 348.450 3.165 20 0 EGADLP c1cc(-c2ccc(N3CCCC3)[nH+]c2)ccc1CC[NH+]1CCOCC1 ZINC000665147459 462328131 /nfs/dbraw/zinc/32/81/31/462328131.db2.gz MWBCNUJSCDXXMU-UHFFFAOYSA-N 2 2 337.467 3.224 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000651810855 462344795 /nfs/dbraw/zinc/34/47/95/462344795.db2.gz DLFKJGGUGMNTBL-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000651810855 462344804 /nfs/dbraw/zinc/34/48/04/462344804.db2.gz DLFKJGGUGMNTBL-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000651810855 462344809 /nfs/dbraw/zinc/34/48/09/462344809.db2.gz DLFKJGGUGMNTBL-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000651810855 462344815 /nfs/dbraw/zinc/34/48/15/462344815.db2.gz DLFKJGGUGMNTBL-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000661649465 462349689 /nfs/dbraw/zinc/34/96/89/462349689.db2.gz PXVMVHJZTNIHGF-IBGZPJMESA-N 2 2 334.467 3.083 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000661649465 462349695 /nfs/dbraw/zinc/34/96/95/462349695.db2.gz PXVMVHJZTNIHGF-IBGZPJMESA-N 2 2 334.467 3.083 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CCCC1 ZINC000665247466 462367561 /nfs/dbraw/zinc/36/75/61/462367561.db2.gz CHBMTCSMVXNCBL-ZDUSSCGKSA-N 2 2 327.241 3.437 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000665253343 462369955 /nfs/dbraw/zinc/36/99/55/462369955.db2.gz OJEKHLIIOMMIGI-FSPWUOQZSA-N 2 2 342.414 3.351 20 0 EGADLP CC[C@@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)[C@@H]1CCCC[NH2+]1 ZINC000665261384 462374217 /nfs/dbraw/zinc/37/42/17/462374217.db2.gz AVUPDLYUYITYCK-MSOLQXFVSA-N 2 2 329.444 3.361 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(Br)c(F)c2)n1C ZINC000668061424 462395920 /nfs/dbraw/zinc/39/59/20/462395920.db2.gz HTXAUMZTQDLQNL-UHFFFAOYSA-N 2 2 326.213 3.262 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(Br)c(F)c2)n1C ZINC000668061424 462395922 /nfs/dbraw/zinc/39/59/22/462395922.db2.gz HTXAUMZTQDLQNL-UHFFFAOYSA-N 2 2 326.213 3.262 20 0 EGADLP Cn1cc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000658214622 462431856 /nfs/dbraw/zinc/43/18/56/462431856.db2.gz LIMAUCMJSNOBNG-UHFFFAOYSA-N 2 2 348.494 3.370 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640571794 462445436 /nfs/dbraw/zinc/44/54/36/462445436.db2.gz VZYNZXULWARUNE-DLBZAZTESA-N 2 2 338.373 3.057 20 0 EGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295147 462461366 /nfs/dbraw/zinc/46/13/66/462461366.db2.gz KUJMRJFQYAXBQG-BBRMVZONSA-N 2 2 338.879 3.253 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295405 462461440 /nfs/dbraw/zinc/46/14/40/462461440.db2.gz SDUPSNXHDVNJFD-CJNGLKHVSA-N 2 2 337.533 3.479 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000658295989 462462477 /nfs/dbraw/zinc/46/24/77/462462477.db2.gz WTKOKRQVEHONSA-BBRMVZONSA-N 2 2 331.485 3.200 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658312256 462472727 /nfs/dbraw/zinc/47/27/27/462472727.db2.gz SCZGJDYDSZSMGN-OXJNMPFZSA-N 2 2 343.471 3.091 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649334252 462480331 /nfs/dbraw/zinc/48/03/31/462480331.db2.gz XRXQQILLUWRPHD-HNNXBMFYSA-N 2 2 333.338 3.057 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658355466 462488729 /nfs/dbraw/zinc/48/87/29/462488729.db2.gz IVAIWDHEZHJVGB-JOCHJYFZSA-N 3 2 341.543 3.363 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658355466 462488734 /nfs/dbraw/zinc/48/87/34/462488734.db2.gz IVAIWDHEZHJVGB-JOCHJYFZSA-N 3 2 341.543 3.363 20 0 EGADLP CCc1cc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542019994 468383739 /nfs/dbraw/zinc/38/37/39/468383739.db2.gz NSODIUBOZYLQKQ-BEFAXECRSA-N 2 2 340.471 3.049 20 0 EGADLP CCc1cc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542019994 468383741 /nfs/dbraw/zinc/38/37/41/468383741.db2.gz NSODIUBOZYLQKQ-BEFAXECRSA-N 2 2 340.471 3.049 20 0 EGADLP CCc1cc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542019999 468384152 /nfs/dbraw/zinc/38/41/52/468384152.db2.gz NSODIUBOZYLQKQ-HNAYVOBHSA-N 2 2 340.471 3.049 20 0 EGADLP CCc1cc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542019999 468384156 /nfs/dbraw/zinc/38/41/56/468384156.db2.gz NSODIUBOZYLQKQ-HNAYVOBHSA-N 2 2 340.471 3.049 20 0 EGADLP COc1cccc2c(NCC[NH+]3CCC(OC)CC3)cc(C)[nH+]c12 ZINC000129081603 533845724 /nfs/dbraw/zinc/84/57/24/533845724.db2.gz RCJQVQQBYRYCMK-UHFFFAOYSA-N 2 2 329.444 3.075 20 0 EGADLP CC(C)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187746898 529018032 /nfs/dbraw/zinc/01/80/32/529018032.db2.gz HNSUPDXRZJYHGR-ROUUACIJSA-N 2 2 330.451 3.348 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000029787747 546534245 /nfs/dbraw/zinc/53/42/45/546534245.db2.gz JKLAGUZNOCZRME-UHFFFAOYSA-N 2 2 342.487 3.024 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000090170895 546654886 /nfs/dbraw/zinc/65/48/86/546654886.db2.gz LMVASSAVZHHJRD-IBGZPJMESA-N 3 2 326.488 3.306 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000090170895 546654890 /nfs/dbraw/zinc/65/48/90/546654890.db2.gz LMVASSAVZHHJRD-IBGZPJMESA-N 3 2 326.488 3.306 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCCn2cc[nH+]c2)CN1Cc1ccccc1 ZINC000090170895 546654894 /nfs/dbraw/zinc/65/48/94/546654894.db2.gz LMVASSAVZHHJRD-IBGZPJMESA-N 2 2 326.488 3.306 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)CCc3c[nH+]c[nH]3)c2)CC1 ZINC000281271337 547376965 /nfs/dbraw/zinc/37/69/65/547376965.db2.gz RGCBPRYXKOKWEB-UHFFFAOYSA-N 2 2 340.471 3.255 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)CCc3c[nH]c[nH+]3)c2)CC1 ZINC000281271337 547376967 /nfs/dbraw/zinc/37/69/67/547376967.db2.gz RGCBPRYXKOKWEB-UHFFFAOYSA-N 2 2 340.471 3.255 20 0 EGADLP Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000285946156 547390794 /nfs/dbraw/zinc/39/07/94/547390794.db2.gz DSRYLPIRFZKSTR-HNNXBMFYSA-N 2 2 341.459 3.316 20 0 EGADLP CCc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000343612657 547603729 /nfs/dbraw/zinc/60/37/29/547603729.db2.gz QEYYBLATSIBDGX-OAQYLSRUSA-N 2 2 336.483 3.450 20 0 EGADLP CCc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000343612657 547603731 /nfs/dbraw/zinc/60/37/31/547603731.db2.gz QEYYBLATSIBDGX-OAQYLSRUSA-N 2 2 336.483 3.450 20 0 EGADLP CC[NH+](CC)C[C@@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354511385 547707787 /nfs/dbraw/zinc/70/77/87/547707787.db2.gz ZOCUTHWUXYDDTD-OAHLLOKOSA-N 2 2 342.487 3.150 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985395 548243041 /nfs/dbraw/zinc/24/30/41/548243041.db2.gz BLXVNWQEOFFLGR-ICSRJNTNSA-N 2 2 332.463 3.390 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985395 548243047 /nfs/dbraw/zinc/24/30/47/548243047.db2.gz BLXVNWQEOFFLGR-ICSRJNTNSA-N 2 2 332.463 3.390 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000673600437 548580459 /nfs/dbraw/zinc/58/04/59/548580459.db2.gz WKQCAQBHQFCRPI-MEDUHNTESA-N 2 2 343.284 3.449 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000675754823 548975229 /nfs/dbraw/zinc/97/52/29/548975229.db2.gz YBKNUOZJVRXVSP-UZLBHIALSA-N 2 2 341.499 3.412 20 0 EGADLP Clc1cccc2c1OC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882657 548996266 /nfs/dbraw/zinc/99/62/66/548996266.db2.gz UAVMEQSTBCOIBJ-YOEHRIQHSA-N 2 2 336.863 3.007 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCCc1cnn(C)c1 ZINC000677380374 549261121 /nfs/dbraw/zinc/26/11/21/549261121.db2.gz ZDCOSTFDIQNCAS-GOSISDBHSA-N 2 2 337.471 3.175 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCCc1cnn(C)c1 ZINC000677380374 549261124 /nfs/dbraw/zinc/26/11/24/549261124.db2.gz ZDCOSTFDIQNCAS-GOSISDBHSA-N 2 2 337.471 3.175 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781850 549561124 /nfs/dbraw/zinc/56/11/24/549561124.db2.gz BSCZWTCTXDTYGJ-XLIONFOSSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781850 549561129 /nfs/dbraw/zinc/56/11/29/549561129.db2.gz BSCZWTCTXDTYGJ-XLIONFOSSA-N 2 2 348.437 3.498 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H](C)CCCCO)[NH+]2CCCCC2)cc1 ZINC000679329111 549688941 /nfs/dbraw/zinc/68/89/41/549688941.db2.gz ZUKSURNOPFAFFR-PXNSSMCTSA-N 2 2 334.504 3.363 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364580 549697115 /nfs/dbraw/zinc/69/71/15/549697115.db2.gz HLXCXTKPBDPUBV-QFBILLFUSA-N 2 2 344.890 3.111 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364580 549697117 /nfs/dbraw/zinc/69/71/17/549697117.db2.gz HLXCXTKPBDPUBV-QFBILLFUSA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364580 549697119 /nfs/dbraw/zinc/69/71/19/549697119.db2.gz HLXCXTKPBDPUBV-QFBILLFUSA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364580 549697121 /nfs/dbraw/zinc/69/71/21/549697121.db2.gz HLXCXTKPBDPUBV-QFBILLFUSA-N 2 2 344.890 3.111 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462537 549868624 /nfs/dbraw/zinc/86/86/24/549868624.db2.gz OXZPGHOQYQPLMV-RBUKOAKNSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462537 549868625 /nfs/dbraw/zinc/86/86/25/549868625.db2.gz OXZPGHOQYQPLMV-RBUKOAKNSA-N 2 2 326.488 3.373 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000684410393 550326745 /nfs/dbraw/zinc/32/67/45/550326745.db2.gz UXKGRESAQUDZIK-MRXNPFEDSA-N 2 2 327.497 3.244 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000684410393 550326746 /nfs/dbraw/zinc/32/67/46/550326746.db2.gz UXKGRESAQUDZIK-MRXNPFEDSA-N 2 2 327.497 3.244 20 0 EGADLP Oc1cccc2c(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc[nH+]c12 ZINC000684566267 550343464 /nfs/dbraw/zinc/34/34/64/550343464.db2.gz PHOTXSSSYKMMDW-KRWDZBQOSA-N 2 2 349.434 3.253 20 0 EGADLP Oc1cccc2c(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc[nH+]c12 ZINC000684566267 550343465 /nfs/dbraw/zinc/34/34/65/550343465.db2.gz PHOTXSSSYKMMDW-KRWDZBQOSA-N 2 2 349.434 3.253 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)o1 ZINC000685303722 550409436 /nfs/dbraw/zinc/40/94/36/550409436.db2.gz CLONIKGTTIDKQD-MRXNPFEDSA-N 2 2 344.459 3.222 20 0 EGADLP CN(C)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000685459584 550419565 /nfs/dbraw/zinc/41/95/65/550419565.db2.gz MPLZNLMXTQKOEC-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470393 550420950 /nfs/dbraw/zinc/42/09/50/550420950.db2.gz LJCVQAGQYJHYBI-BEFAXECRSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470393 550420951 /nfs/dbraw/zinc/42/09/51/550420951.db2.gz LJCVQAGQYJHYBI-BEFAXECRSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470393 550420953 /nfs/dbraw/zinc/42/09/53/550420953.db2.gz LJCVQAGQYJHYBI-BEFAXECRSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470393 550420956 /nfs/dbraw/zinc/42/09/56/550420956.db2.gz LJCVQAGQYJHYBI-BEFAXECRSA-N 2 2 346.906 3.357 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000729682608 574878539 /nfs/dbraw/zinc/87/85/39/574878539.db2.gz WNALZBUVDZNXSR-SFHVURJKSA-N 2 2 326.440 3.068 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000729682608 574878542 /nfs/dbraw/zinc/87/85/42/574878542.db2.gz WNALZBUVDZNXSR-SFHVURJKSA-N 2 2 326.440 3.068 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000309947520 574981111 /nfs/dbraw/zinc/98/11/11/574981111.db2.gz QPWRCDMESJUZQO-PMPSAXMXSA-N 2 2 336.480 3.039 20 0 EGADLP CCOc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678758608 576170230 /nfs/dbraw/zinc/17/02/30/576170230.db2.gz YYYZDODAPNUKSL-PXNSSMCTSA-N 2 2 342.483 3.229 20 0 EGADLP CCOc1cccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678758608 576170235 /nfs/dbraw/zinc/17/02/35/576170235.db2.gz YYYZDODAPNUKSL-PXNSSMCTSA-N 2 2 342.483 3.229 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCC1(F)F ZINC000685590688 576194396 /nfs/dbraw/zinc/19/43/96/576194396.db2.gz WVXSKZXCVMXEKP-QGZVFWFLSA-N 2 2 337.458 3.176 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCC1(F)F ZINC000685590688 576194398 /nfs/dbraw/zinc/19/43/98/576194398.db2.gz WVXSKZXCVMXEKP-QGZVFWFLSA-N 2 2 337.458 3.176 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000738877675 576220839 /nfs/dbraw/zinc/22/08/39/576220839.db2.gz UFERWRAGLLZATG-LJQANCHMSA-N 2 2 337.458 3.129 20 0 EGADLP CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCCCC1 ZINC000740878292 576632901 /nfs/dbraw/zinc/63/29/01/576632901.db2.gz XPTCVXJAKHCHJC-GOSISDBHSA-N 2 2 327.513 3.001 20 0 EGADLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825313361 609333595 /nfs/dbraw/zinc/33/35/95/609333595.db2.gz CKNXYUMCLYTGJV-AWEZNQCLSA-N 2 2 348.470 3.169 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000585094158 1298028403 /nfs/dbraw/zinc/02/84/03/1298028403.db2.gz KJRGECJMISZTTD-YFVAEKQCSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000585094158 1298028414 /nfs/dbraw/zinc/02/84/14/1298028414.db2.gz KJRGECJMISZTTD-YFVAEKQCSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094158 1298028423 /nfs/dbraw/zinc/02/84/23/1298028423.db2.gz KJRGECJMISZTTD-YFVAEKQCSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094158 1298028432 /nfs/dbraw/zinc/02/84/32/1298028432.db2.gz KJRGECJMISZTTD-YFVAEKQCSA-N 2 2 339.483 3.100 20 0 EGADLP CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000047794286 1291585076 /nfs/dbraw/zinc/58/50/76/1291585076.db2.gz RQHKCEZAFWSIHN-UHFFFAOYSA-N 2 2 348.450 3.302 20 0 EGADLP C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000052822635 1291712510 /nfs/dbraw/zinc/71/25/10/1291712510.db2.gz ACXLXYUVPVDWRR-WMLDXEAASA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3F)c2)CCO1 ZINC000063524626 1292014576 /nfs/dbraw/zinc/01/45/76/1292014576.db2.gz GHTPZKWGCDAETM-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3F)c2)CCO1 ZINC000063524626 1292014582 /nfs/dbraw/zinc/01/45/82/1292014582.db2.gz GHTPZKWGCDAETM-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCn3cc[nH+]c3)CC[C@@H]21 ZINC000827933780 1292407181 /nfs/dbraw/zinc/40/71/81/1292407181.db2.gz PZFRPVQBKRUFJP-ZACQAIPSSA-N 2 2 348.491 3.041 20 0 EGADLP CCOc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1OC ZINC000079000341 1292539433 /nfs/dbraw/zinc/53/94/33/1292539433.db2.gz YMEOSIMHXGRBBZ-GOSISDBHSA-N 2 2 331.460 3.495 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000829140441 1292547645 /nfs/dbraw/zinc/54/76/45/1292547645.db2.gz QIQXZWMQSIKFEQ-FVQBIDKESA-N 2 2 342.314 3.466 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000829140441 1292547652 /nfs/dbraw/zinc/54/76/52/1292547652.db2.gz QIQXZWMQSIKFEQ-FVQBIDKESA-N 2 2 342.314 3.466 20 0 EGADLP CC(C)CNC(=O)C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000085911167 1292724601 /nfs/dbraw/zinc/72/46/01/1292724601.db2.gz BVJFKLATKXXZDZ-UHFFFAOYSA-N 2 2 340.471 3.047 20 0 EGADLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090117807 1292789219 /nfs/dbraw/zinc/78/92/19/1292789219.db2.gz ZNMROUPSNCDAFZ-UHFFFAOYSA-N 2 2 337.442 3.494 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nc(C)ccc2O)cc1F ZINC000103343887 1293004131 /nfs/dbraw/zinc/00/41/31/1293004131.db2.gz MNEVUCRTEKDQRS-UHFFFAOYSA-N 2 2 326.375 3.019 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000131062952 1293677914 /nfs/dbraw/zinc/67/79/14/1293677914.db2.gz LPOKWDYBXZJQIQ-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919316 1293784378 /nfs/dbraw/zinc/78/43/78/1293784378.db2.gz UVIGTHZCDGJDPI-YLJYHZDGSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919316 1293784383 /nfs/dbraw/zinc/78/43/83/1293784383.db2.gz UVIGTHZCDGJDPI-YLJYHZDGSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919316 1293784387 /nfs/dbraw/zinc/78/43/87/1293784387.db2.gz UVIGTHZCDGJDPI-YLJYHZDGSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919316 1293784389 /nfs/dbraw/zinc/78/43/89/1293784389.db2.gz UVIGTHZCDGJDPI-YLJYHZDGSA-N 2 2 347.547 3.164 20 0 EGADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2csc(C(C)(C)C)n2)ccn1 ZINC000136231216 1293812241 /nfs/dbraw/zinc/81/22/41/1293812241.db2.gz ADUJLYGMIJWHTP-UHFFFAOYSA-N 2 2 348.516 3.066 20 0 EGADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000150945388 1293900238 /nfs/dbraw/zinc/90/02/38/1293900238.db2.gz DCZAEMDSXCWMSF-ZDUSSCGKSA-N 2 2 326.843 3.070 20 0 EGADLP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000161631484 1294296218 /nfs/dbraw/zinc/29/62/18/1294296218.db2.gz XCRDAONUQKPMCV-UHFFFAOYSA-N 3 2 344.547 3.185 20 0 EGADLP CC(C)Cc1ncc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)s1 ZINC000162716489 1294320793 /nfs/dbraw/zinc/32/07/93/1294320793.db2.gz YXBAQSJBTLBCIC-UHFFFAOYSA-N 2 2 339.549 3.321 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C)oc3C)cc2)CC1 ZINC000163590048 1294336658 /nfs/dbraw/zinc/33/66/58/1294336658.db2.gz XLCHEQLSGKJFLU-UHFFFAOYSA-N 2 2 341.499 3.324 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1O ZINC000185403636 1295262148 /nfs/dbraw/zinc/26/21/48/1295262148.db2.gz PGDCYNQWFYJARJ-NWDGAFQWSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000185403636 1295262156 /nfs/dbraw/zinc/26/21/56/1295262156.db2.gz PGDCYNQWFYJARJ-NWDGAFQWSA-N 2 2 327.266 3.147 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085955 1295367352 /nfs/dbraw/zinc/36/73/52/1295367352.db2.gz WORYWBRZHZYBTO-PBHICJAKSA-N 2 2 328.859 3.319 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085955 1295367360 /nfs/dbraw/zinc/36/73/60/1295367360.db2.gz WORYWBRZHZYBTO-PBHICJAKSA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085955 1295367370 /nfs/dbraw/zinc/36/73/70/1295367370.db2.gz WORYWBRZHZYBTO-PBHICJAKSA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085955 1295367383 /nfs/dbraw/zinc/36/73/83/1295367383.db2.gz WORYWBRZHZYBTO-PBHICJAKSA-N 2 2 328.859 3.319 20 0 EGADLP C[C@@H](CC(=O)OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000870667161 1296007675 /nfs/dbraw/zinc/00/76/75/1296007675.db2.gz UBSCGAPGRUZWEO-AOIWGVFYSA-N 2 2 341.455 3.146 20 0 EGADLP C[C@@H](CC(=O)OC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000870667161 1296007680 /nfs/dbraw/zinc/00/76/80/1296007680.db2.gz UBSCGAPGRUZWEO-AOIWGVFYSA-N 2 2 341.455 3.146 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(O)ccc2F)[C@@H](C)C1 ZINC000872033551 1296682587 /nfs/dbraw/zinc/68/25/87/1296682587.db2.gz FGSIJUZNIDZDGN-DOXZYTNZSA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(O)ccc2F)[C@@H](C)C1 ZINC000872033551 1296682600 /nfs/dbraw/zinc/68/26/00/1296682600.db2.gz FGSIJUZNIDZDGN-DOXZYTNZSA-N 2 2 338.467 3.319 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898097 1297217425 /nfs/dbraw/zinc/21/74/25/1297217425.db2.gz VAXZIHKYIMWPNO-RHSMWYFYSA-N 2 2 349.500 3.052 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478305 1297427017 /nfs/dbraw/zinc/42/70/17/1297427017.db2.gz XTAFHJLEYWCMDS-NHYWBVRUSA-N 2 2 345.256 3.169 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478305 1297427024 /nfs/dbraw/zinc/42/70/24/1297427024.db2.gz XTAFHJLEYWCMDS-NHYWBVRUSA-N 2 2 345.256 3.169 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378905453 1297528238 /nfs/dbraw/zinc/52/82/38/1297528238.db2.gz YWUDGZOCFVEHHT-IRXDYDNUSA-N 2 2 328.481 3.368 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000378905453 1297528240 /nfs/dbraw/zinc/52/82/40/1297528240.db2.gz YWUDGZOCFVEHHT-IRXDYDNUSA-N 2 2 328.481 3.368 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396324951 1297685010 /nfs/dbraw/zinc/68/50/10/1297685010.db2.gz RYCHRURAHHWHCD-JVWICGRDSA-N 2 2 333.398 3.123 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)nn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876784230 1298984712 /nfs/dbraw/zinc/98/47/12/1298984712.db2.gz BINABZCGQPWIAI-KRWDZBQOSA-N 2 2 344.890 3.474 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)nn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876784230 1298984721 /nfs/dbraw/zinc/98/47/21/1298984721.db2.gz BINABZCGQPWIAI-KRWDZBQOSA-N 2 2 344.890 3.474 20 0 EGADLP CC[NH+](Cc1ccc(Cl)nn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876784230 1298984732 /nfs/dbraw/zinc/98/47/32/1298984732.db2.gz BINABZCGQPWIAI-KRWDZBQOSA-N 2 2 344.890 3.474 20 0 EGADLP CC[NH+](Cc1ccc(Cl)nn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876784230 1298984740 /nfs/dbraw/zinc/98/47/40/1298984740.db2.gz BINABZCGQPWIAI-KRWDZBQOSA-N 2 2 344.890 3.474 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1nc2ccccc2s1 ZINC000877047063 1299131614 /nfs/dbraw/zinc/13/16/14/1299131614.db2.gz UILJAOYFHABHIF-CYBMUJFWSA-N 2 2 333.501 3.182 20 0 EGADLP C[N@H+](C[C@@H]1CC1(Cl)Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750185447 1299353619 /nfs/dbraw/zinc/35/36/19/1299353619.db2.gz OBRRXRGAIHNQOQ-AWEZNQCLSA-N 2 2 342.314 3.214 20 0 EGADLP C[N@@H+](C[C@@H]1CC1(Cl)Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750185447 1299353632 /nfs/dbraw/zinc/35/36/32/1299353632.db2.gz OBRRXRGAIHNQOQ-AWEZNQCLSA-N 2 2 342.314 3.214 20 0 EGADLP COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877822527 1299589385 /nfs/dbraw/zinc/58/93/85/1299589385.db2.gz REWSITUSIPQJRT-MRXNPFEDSA-N 2 2 327.428 3.038 20 0 EGADLP COC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877822527 1299589402 /nfs/dbraw/zinc/58/94/02/1299589402.db2.gz REWSITUSIPQJRT-MRXNPFEDSA-N 2 2 327.428 3.038 20 0 EGADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(C(C)(C)C)oc3=S)C2)CC1 ZINC000755779627 1300396091 /nfs/dbraw/zinc/39/60/91/1300396091.db2.gz KZXPDMKMTGWPAV-AWEZNQCLSA-N 2 2 338.521 3.124 20 0 EGADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(C(C)(C)C)oc3=S)C2)CC1 ZINC000755779627 1300396099 /nfs/dbraw/zinc/39/60/99/1300396099.db2.gz KZXPDMKMTGWPAV-AWEZNQCLSA-N 2 2 338.521 3.124 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569801 1301166616 /nfs/dbraw/zinc/16/66/16/1301166616.db2.gz PDHAOAQADINHQE-KRWDZBQOSA-N 2 2 344.459 3.129 20 0 EGADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252142 1302229017 /nfs/dbraw/zinc/22/90/17/1302229017.db2.gz RCOFSUNTMGNYJS-YZGWKJHDSA-N 2 2 340.515 3.408 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765647757 1302295714 /nfs/dbraw/zinc/29/57/14/1302295714.db2.gz BOGYOIVQQPSIDC-KRWDZBQOSA-N 2 2 342.487 3.024 20 0 EGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCOCC2)cc1 ZINC000883217891 1302315141 /nfs/dbraw/zinc/31/51/41/1302315141.db2.gz QAGHNBSPXUEZNC-MJGOQNOKSA-N 2 2 329.419 3.095 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765755962 1302317900 /nfs/dbraw/zinc/31/79/00/1302317900.db2.gz APWZGMXWJHLQSE-OAHLLOKOSA-N 2 2 341.503 3.114 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789616 1302326432 /nfs/dbraw/zinc/32/64/32/1302326432.db2.gz BWBYNWNBFZMPBP-VYDXJSESSA-N 2 2 338.879 3.253 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789616 1302326446 /nfs/dbraw/zinc/32/64/46/1302326446.db2.gz BWBYNWNBFZMPBP-VYDXJSESSA-N 2 2 338.879 3.253 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000765973769 1302360112 /nfs/dbraw/zinc/36/01/12/1302360112.db2.gz FNPPAOOABHSMDO-YOEHRIQHSA-N 2 2 336.451 3.128 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387743 1302425651 /nfs/dbraw/zinc/42/56/51/1302425651.db2.gz DGISMVKXURWLRN-NKELODKYSA-N 2 2 341.455 3.336 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)C3CCCCC3)CC2)CC1 ZINC000766406222 1302445500 /nfs/dbraw/zinc/44/55/00/1302445500.db2.gz SARUJQXXBCYVCM-UHFFFAOYSA-N 2 2 349.563 3.268 20 0 EGADLP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000767410896 1302664880 /nfs/dbraw/zinc/66/48/80/1302664880.db2.gz GDGVESXVYHJJOY-NRFANRHFSA-N 2 2 326.484 3.344 20 0 EGADLP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000767410896 1302664887 /nfs/dbraw/zinc/66/48/87/1302664887.db2.gz GDGVESXVYHJJOY-NRFANRHFSA-N 2 2 326.484 3.344 20 0 EGADLP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000767410896 1302664894 /nfs/dbraw/zinc/66/48/94/1302664894.db2.gz GDGVESXVYHJJOY-NRFANRHFSA-N 2 2 326.484 3.344 20 0 EGADLP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000767410896 1302664899 /nfs/dbraw/zinc/66/48/99/1302664899.db2.gz GDGVESXVYHJJOY-NRFANRHFSA-N 2 2 326.484 3.344 20 0 EGADLP Cc1cc(NC(=O)NCCCCCCC[NH+]2CCCC2)c(C)c[nH+]1 ZINC000767943774 1302789827 /nfs/dbraw/zinc/78/98/27/1302789827.db2.gz QQSMDINKNVAZCX-UHFFFAOYSA-N 2 2 332.492 3.288 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC[NH+]1CCCCCC1)NC(=O)OC(C)(C)C ZINC000769681483 1303157032 /nfs/dbraw/zinc/15/70/32/1303157032.db2.gz POWWQFNZTXTPKR-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC000770398769 1303261356 /nfs/dbraw/zinc/26/13/56/1303261356.db2.gz UPJWYFSSKYFYDT-GOSISDBHSA-N 2 2 336.439 3.147 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870271 1303621325 /nfs/dbraw/zinc/62/13/25/1303621325.db2.gz UNDLWCWGQVYKKE-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870271 1303621328 /nfs/dbraw/zinc/62/13/28/1303621328.db2.gz UNDLWCWGQVYKKE-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP CO[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000773085240 1303621487 /nfs/dbraw/zinc/62/14/87/1303621487.db2.gz WBGKMNPBITUUEV-FXAWDEMLSA-N 2 2 331.504 3.269 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604425 1303991994 /nfs/dbraw/zinc/99/19/94/1303991994.db2.gz QWGAMQVNUPYDKD-YJBOKZPZSA-N 2 2 340.870 3.463 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604425 1303991995 /nfs/dbraw/zinc/99/19/95/1303991995.db2.gz QWGAMQVNUPYDKD-YJBOKZPZSA-N 2 2 340.870 3.463 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000775620620 1303995920 /nfs/dbraw/zinc/99/59/20/1303995920.db2.gz DLKWIIBAKLUHQI-IXDOHACOSA-N 2 2 339.524 3.142 20 0 EGADLP CCc1noc(C)c1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000777256705 1304276582 /nfs/dbraw/zinc/27/65/82/1304276582.db2.gz RAGZXOWTOMTRSQ-BBRMVZONSA-N 2 2 343.475 3.254 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574138 1304469134 /nfs/dbraw/zinc/46/91/34/1304469134.db2.gz VOWIITXWYSBIEU-ROUUACIJSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574138 1304469138 /nfs/dbraw/zinc/46/91/38/1304469138.db2.gz VOWIITXWYSBIEU-ROUUACIJSA-N 2 2 343.519 3.168 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000778998946 1304516278 /nfs/dbraw/zinc/51/62/78/1304516278.db2.gz HLULNDFCNSPBFF-MRXNPFEDSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000779065761 1304525303 /nfs/dbraw/zinc/52/53/03/1304525303.db2.gz OWXSVQOGZPUOBH-MWLCHTKSSA-N 2 2 325.243 3.438 20 0 EGADLP O=C(OCCCn1cc[nH+]c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000782169738 1304924369 /nfs/dbraw/zinc/92/43/69/1304924369.db2.gz UGZIRJWQCRRFBL-UHFFFAOYSA-N 2 2 327.428 3.116 20 0 EGADLP CC(C)[C@@H](c1ccccc1)[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783989833 1305172092 /nfs/dbraw/zinc/17/20/92/1305172092.db2.gz UHBJXYPEMXYVAG-PXNSSMCTSA-N 2 2 340.471 3.023 20 0 EGADLP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783989833 1305172095 /nfs/dbraw/zinc/17/20/95/1305172095.db2.gz UHBJXYPEMXYVAG-PXNSSMCTSA-N 2 2 340.471 3.023 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000783997459 1305173340 /nfs/dbraw/zinc/17/33/40/1305173340.db2.gz VGJGWDIUOYOLBI-QZTJIDSGSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000783997459 1305173342 /nfs/dbraw/zinc/17/33/42/1305173342.db2.gz VGJGWDIUOYOLBI-QZTJIDSGSA-N 2 2 344.503 3.128 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3cnccc3c2)cn1 ZINC000785424197 1305348730 /nfs/dbraw/zinc/34/87/30/1305348730.db2.gz VCZXKPQRAIWHEG-UHFFFAOYSA-N 2 2 329.407 3.414 20 0 EGADLP Fc1c(Cl)ccc(Br)c1C[NH2+]CCn1cc[nH+]c1 ZINC000892441193 1305374094 /nfs/dbraw/zinc/37/40/94/1305374094.db2.gz JZOXYNJILSSOMV-UHFFFAOYSA-N 2 2 332.604 3.228 20 0 EGADLP CC1CC[NH+](CCC[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892460207 1305383977 /nfs/dbraw/zinc/38/39/77/1305383977.db2.gz ONMBTEKAIFBAFD-UHFFFAOYSA-N 2 2 335.439 3.460 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C(C)(C)C ZINC000786912650 1305654335 /nfs/dbraw/zinc/65/43/35/1305654335.db2.gz SULAWWUDZDZEIM-MAUKXSAKSA-N 2 2 348.535 3.241 20 0 EGADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](CCC(C)C)CC1)n2C ZINC000893649498 1306007349 /nfs/dbraw/zinc/00/73/49/1306007349.db2.gz TZXSENUDEDOOFC-UHFFFAOYSA-N 2 2 328.504 3.482 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000788754225 1306009535 /nfs/dbraw/zinc/00/95/35/1306009535.db2.gz AFQZBXPSQSVBHT-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC[C@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000790054977 1306255548 /nfs/dbraw/zinc/25/55/48/1306255548.db2.gz NPFJVBKISODPBM-IEBWSBKVSA-N 2 2 336.483 3.364 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ocnc2C)CC1 ZINC000894242329 1306298013 /nfs/dbraw/zinc/29/80/13/1306298013.db2.gz WKYREABWCVJFNB-AWEZNQCLSA-N 2 2 346.450 3.115 20 0 EGADLP C[N@H+](CCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCCC1 ZINC000791128422 1308925121 /nfs/dbraw/zinc/92/51/21/1308925121.db2.gz OHHAGUPLPXCEKF-QGZVFWFLSA-N 2 2 334.508 3.069 20 0 EGADLP C[N@@H+](CCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCCC1 ZINC000791128422 1308925125 /nfs/dbraw/zinc/92/51/25/1308925125.db2.gz OHHAGUPLPXCEKF-QGZVFWFLSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791649434 1309040937 /nfs/dbraw/zinc/04/09/37/1309040937.db2.gz YVNFMMLZRUSCPC-LJQANCHMSA-N 2 2 341.455 3.180 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791649434 1309040948 /nfs/dbraw/zinc/04/09/48/1309040948.db2.gz YVNFMMLZRUSCPC-LJQANCHMSA-N 2 2 341.455 3.180 20 0 EGADLP Fc1ccc(-n2nccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000792947165 1309268777 /nfs/dbraw/zinc/26/87/77/1309268777.db2.gz XEJLCKRAVJHVGI-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000793534056 1309398384 /nfs/dbraw/zinc/39/83/84/1309398384.db2.gz OIEFKAQTKIEFPY-AYBZRNKSSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000793534056 1309398392 /nfs/dbraw/zinc/39/83/92/1309398392.db2.gz OIEFKAQTKIEFPY-AYBZRNKSSA-N 2 2 326.488 3.290 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895712102 1309482469 /nfs/dbraw/zinc/48/24/69/1309482469.db2.gz XVHQMWBNICCBTF-LJQANCHMSA-N 2 2 337.471 3.273 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C ZINC000896193201 1309738753 /nfs/dbraw/zinc/73/87/53/1309738753.db2.gz VFTBPEROQQATAE-UHFFFAOYSA-N 2 2 339.439 3.253 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000796782084 1310086925 /nfs/dbraw/zinc/08/69/25/1310086925.db2.gz OSQUMTXUHLHWOP-UWJYYQICSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000796782084 1310086928 /nfs/dbraw/zinc/08/69/28/1310086928.db2.gz OSQUMTXUHLHWOP-UWJYYQICSA-N 2 2 339.483 3.448 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)on2)c1 ZINC000897840492 1310487782 /nfs/dbraw/zinc/48/77/82/1310487782.db2.gz BNCCNCZVVIHIQG-HOTGVXAUSA-N 2 2 327.428 3.067 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)on2)c1 ZINC000897840492 1310487785 /nfs/dbraw/zinc/48/77/85/1310487785.db2.gz BNCCNCZVVIHIQG-HOTGVXAUSA-N 2 2 327.428 3.067 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799165964 1310496646 /nfs/dbraw/zinc/49/66/46/1310496646.db2.gz SYAVRTHEBKTHOU-QWHZDKJVSA-N 2 2 344.890 3.376 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799165964 1310496655 /nfs/dbraw/zinc/49/66/55/1310496655.db2.gz SYAVRTHEBKTHOU-QWHZDKJVSA-N 2 2 344.890 3.376 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)no1 ZINC000800502921 1310770743 /nfs/dbraw/zinc/77/07/43/1310770743.db2.gz HXUZRVOCXQUUFF-OAHLLOKOSA-N 2 2 328.460 3.369 20 0 EGADLP CCc1nc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)co1 ZINC000825057027 1320307383 /nfs/dbraw/zinc/30/73/83/1320307383.db2.gz LFULBBBYDMNRRZ-UHFFFAOYSA-N 2 2 328.460 3.062 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001019447370 1317249604 /nfs/dbraw/zinc/24/96/04/1317249604.db2.gz FRUOANPGKLRSTH-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001020296418 1317632915 /nfs/dbraw/zinc/63/29/15/1317632915.db2.gz PSYCFXSNLYKBFC-IYARVYRRSA-N 2 2 348.450 3.176 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903814644 1317736453 /nfs/dbraw/zinc/73/64/53/1317736453.db2.gz OHNKRBXJRSGCRZ-SFHVURJKSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC000903814644 1317736460 /nfs/dbraw/zinc/73/64/60/1317736460.db2.gz OHNKRBXJRSGCRZ-SFHVURJKSA-N 2 2 329.488 3.225 20 0 EGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(CCc3ccccc3)n1)C2 ZINC000903842149 1317739619 /nfs/dbraw/zinc/73/96/19/1317739619.db2.gz KMQHQGKNQVQHQL-BQFCYCMXSA-N 2 2 327.497 3.240 20 0 EGADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(CCc3ccccc3)n1)C2 ZINC000903842149 1317739626 /nfs/dbraw/zinc/73/96/26/1317739626.db2.gz KMQHQGKNQVQHQL-BQFCYCMXSA-N 2 2 327.497 3.240 20 0 EGADLP c1nc2c(n1-c1ccccc1)CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000903902516 1317745144 /nfs/dbraw/zinc/74/51/44/1317745144.db2.gz ILTFIKKTBHFRJP-UHFFFAOYSA-N 2 2 344.462 3.076 20 0 EGADLP c1nc2c(n1-c1ccccc1)CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000903902516 1317745150 /nfs/dbraw/zinc/74/51/50/1317745150.db2.gz ILTFIKKTBHFRJP-UHFFFAOYSA-N 2 2 344.462 3.076 20 0 EGADLP Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903909870 1317747725 /nfs/dbraw/zinc/74/77/25/1317747725.db2.gz HKLKDOMYKBVPKR-MJGOQNOKSA-N 2 2 343.450 3.069 20 0 EGADLP Fc1ccc([C@@H]2CCCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903909870 1317747732 /nfs/dbraw/zinc/74/77/32/1317747732.db2.gz HKLKDOMYKBVPKR-MJGOQNOKSA-N 2 2 343.450 3.069 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@@H+](C)C3)CC2)cc1 ZINC000858245270 1328721227 /nfs/dbraw/zinc/72/12/27/1328721227.db2.gz FYDGSIMLQZBFDD-GOSISDBHSA-N 3 2 344.547 3.043 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000904272131 1317822217 /nfs/dbraw/zinc/82/22/17/1317822217.db2.gz KVODLEZNCDSDRI-INIZCTEOSA-N 2 2 349.438 3.402 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000904272131 1317822229 /nfs/dbraw/zinc/82/22/29/1317822229.db2.gz KVODLEZNCDSDRI-INIZCTEOSA-N 2 2 349.438 3.402 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000904317903 1317830230 /nfs/dbraw/zinc/83/02/30/1317830230.db2.gz JPEBCIQODFHOBW-JKSUJKDBSA-N 2 2 325.541 3.014 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000904317903 1317830238 /nfs/dbraw/zinc/83/02/38/1317830238.db2.gz JPEBCIQODFHOBW-JKSUJKDBSA-N 2 2 325.541 3.014 20 0 EGADLP Cc1c[nH+]c2cc(-c3nc(-c4ccc(C[NH+](C)C)cc4)no3)ccn12 ZINC000904624691 1317870636 /nfs/dbraw/zinc/87/06/36/1317870636.db2.gz JCOAWKXAFSMSSW-UHFFFAOYSA-N 2 2 333.395 3.421 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575940 1318423194 /nfs/dbraw/zinc/42/31/94/1318423194.db2.gz PHZZHZGQTFJZIB-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575940 1318423199 /nfs/dbraw/zinc/42/31/99/1318423199.db2.gz PHZZHZGQTFJZIB-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21 ZINC001021723437 1318613008 /nfs/dbraw/zinc/61/30/08/1318613008.db2.gz UMHGEDNUBUEHLG-FUHWJXTLSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21 ZINC001021723437 1318613017 /nfs/dbraw/zinc/61/30/17/1318613017.db2.gz UMHGEDNUBUEHLG-FUHWJXTLSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)cs1 ZINC001022462587 1318951401 /nfs/dbraw/zinc/95/14/01/1318951401.db2.gz UPTZSOBGUGUCED-CALCHBBNSA-N 2 2 343.496 3.427 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190600 1319304199 /nfs/dbraw/zinc/30/41/99/1319304199.db2.gz SEBPLWUQWPJNOU-HOTGVXAUSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190600 1319304210 /nfs/dbraw/zinc/30/42/10/1319304210.db2.gz SEBPLWUQWPJNOU-HOTGVXAUSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000817902144 1319455794 /nfs/dbraw/zinc/45/57/94/1319455794.db2.gz JGXQPASUYIRVIN-MAODMQOUSA-N 2 2 340.467 3.029 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC[NH2+]C(C)(C)C)n2)C1 ZINC000930473228 1328865420 /nfs/dbraw/zinc/86/54/20/1328865420.db2.gz MATXQTVCSMOWOY-CYBMUJFWSA-N 2 2 338.521 3.092 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[NH2+]C(C)(C)C)n2)C1 ZINC000930473228 1328865423 /nfs/dbraw/zinc/86/54/23/1328865423.db2.gz MATXQTVCSMOWOY-CYBMUJFWSA-N 2 2 338.521 3.092 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000827519652 1320458196 /nfs/dbraw/zinc/45/81/96/1320458196.db2.gz QMUAPDFXIUQZBZ-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000827519652 1320458197 /nfs/dbraw/zinc/45/81/97/1320458197.db2.gz QMUAPDFXIUQZBZ-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)O1 ZINC000840871931 1321166046 /nfs/dbraw/zinc/16/60/46/1321166046.db2.gz IJLYXOUKQHVFOU-BRWVUGGUSA-N 2 2 331.504 3.125 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000841037912 1321207101 /nfs/dbraw/zinc/20/71/01/1321207101.db2.gz RLHZRPPBMINAER-OAGGEKHMSA-N 2 2 340.414 3.033 20 0 EGADLP C[NH2+]CCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000841042640 1321207422 /nfs/dbraw/zinc/20/74/22/1321207422.db2.gz OFEOIRYFEIZBNW-UHFFFAOYSA-N 2 2 341.286 3.246 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000841058278 1321211326 /nfs/dbraw/zinc/21/13/26/1321211326.db2.gz VDGQBQBFHQIANS-IBGZPJMESA-N 2 2 346.906 3.373 20 0 EGADLP C[NH+](C)[C@@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000841382186 1321267495 /nfs/dbraw/zinc/26/74/95/1321267495.db2.gz BHLVREMPUKUSQR-ROUUACIJSA-N 2 2 342.487 3.107 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000842838417 1321440076 /nfs/dbraw/zinc/44/00/76/1321440076.db2.gz NUBWSMGGILOYLK-JTDSTZFVSA-N 2 2 332.513 3.239 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000842838417 1321440079 /nfs/dbraw/zinc/44/00/79/1321440079.db2.gz NUBWSMGGILOYLK-JTDSTZFVSA-N 2 2 332.513 3.239 20 0 EGADLP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053097 1321461874 /nfs/dbraw/zinc/46/18/74/1321461874.db2.gz WXXBVGOSNWKQGC-WMZOPIPTSA-N 2 2 346.906 3.452 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053097 1321461877 /nfs/dbraw/zinc/46/18/77/1321461877.db2.gz WXXBVGOSNWKQGC-WMZOPIPTSA-N 2 2 346.906 3.452 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@H]1[NH3+] ZINC000843053618 1321463383 /nfs/dbraw/zinc/46/33/83/1321463383.db2.gz OTQPLCLPXADEQT-IUODEOHRSA-N 2 2 335.883 3.225 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@H]1[NH3+] ZINC000843053618 1321463386 /nfs/dbraw/zinc/46/33/86/1321463386.db2.gz OTQPLCLPXADEQT-IUODEOHRSA-N 2 2 335.883 3.225 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843058530 1321463869 /nfs/dbraw/zinc/46/38/69/1321463869.db2.gz VCHGJVCXJOLPQD-XJKSGUPXSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843058530 1321463873 /nfs/dbraw/zinc/46/38/73/1321463873.db2.gz VCHGJVCXJOLPQD-XJKSGUPXSA-N 2 2 332.879 3.062 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353684 1321505505 /nfs/dbraw/zinc/50/55/05/1321505505.db2.gz MTGDXFYXAGWAQI-XHSDSOJGSA-N 2 2 331.504 3.370 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353684 1321505508 /nfs/dbraw/zinc/50/55/08/1321505508.db2.gz MTGDXFYXAGWAQI-XHSDSOJGSA-N 2 2 331.504 3.370 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC000848927728 1322047308 /nfs/dbraw/zinc/04/73/08/1322047308.db2.gz MBQKAWQRVRKHGC-QZTJIDSGSA-N 2 2 330.472 3.438 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC000848927728 1322047313 /nfs/dbraw/zinc/04/73/13/1322047313.db2.gz MBQKAWQRVRKHGC-QZTJIDSGSA-N 2 2 330.472 3.438 20 0 EGADLP C[C@H]1C[NH+]=C(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)N1 ZINC000849051348 1322058739 /nfs/dbraw/zinc/05/87/39/1322058739.db2.gz HOAGQJKXJSLIBB-INIZCTEOSA-N 2 2 345.450 3.036 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000849070128 1322066485 /nfs/dbraw/zinc/06/64/85/1322066485.db2.gz JWAXPCFZKNSZFV-HNNXBMFYSA-N 2 2 342.512 3.117 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000849070128 1322066492 /nfs/dbraw/zinc/06/64/92/1322066492.db2.gz JWAXPCFZKNSZFV-HNNXBMFYSA-N 2 2 342.512 3.117 20 0 EGADLP C1C[C@@H]2SCCS[C@@H]2[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539880 1322262954 /nfs/dbraw/zinc/26/29/54/1322262954.db2.gz VHKVUYDTDPYSDC-PQEBFOHHSA-N 2 2 326.575 3.363 20 0 EGADLP C1C[C@@H]2SCCS[C@@H]2[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539880 1322262963 /nfs/dbraw/zinc/26/29/63/1322262963.db2.gz VHKVUYDTDPYSDC-PQEBFOHHSA-N 2 2 326.575 3.363 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000850556785 1322266689 /nfs/dbraw/zinc/26/66/89/1322266689.db2.gz MCRZNEXBSWVRNP-DZGCQCFKSA-N 2 2 338.879 3.253 20 0 EGADLP O[C@@H](C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428988 1322750616 /nfs/dbraw/zinc/75/06/16/1322750616.db2.gz VNJOWCUUJRTYBI-IRXDYDNUSA-N 2 2 342.405 3.204 20 0 EGADLP O[C@@H](C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428988 1322750624 /nfs/dbraw/zinc/75/06/24/1322750624.db2.gz VNJOWCUUJRTYBI-IRXDYDNUSA-N 2 2 342.405 3.204 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000923516662 1322767323 /nfs/dbraw/zinc/76/73/23/1322767323.db2.gz NDCCSDUINBHPHY-LSDHHAIUSA-N 2 2 331.847 3.345 20 0 EGADLP Cc1nc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000923516662 1322767328 /nfs/dbraw/zinc/76/73/28/1322767328.db2.gz NDCCSDUINBHPHY-LSDHHAIUSA-N 2 2 331.847 3.345 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924650815 1323093883 /nfs/dbraw/zinc/09/38/83/1323093883.db2.gz XSWVTBTUZVRLQB-OAHLLOKOSA-N 2 2 348.491 3.041 20 0 EGADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(N2CCCCC2)n1 ZINC000924698754 1323118888 /nfs/dbraw/zinc/11/88/88/1323118888.db2.gz AFWXSTPMDUUBIQ-OALUTQOASA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(N2CCCCC2)n1 ZINC000924698754 1323118894 /nfs/dbraw/zinc/11/88/94/1323118894.db2.gz AFWXSTPMDUUBIQ-OALUTQOASA-N 2 2 328.504 3.178 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000924733271 1323138729 /nfs/dbraw/zinc/13/87/29/1323138729.db2.gz RXHRENFTSIGMHD-HNNXBMFYSA-N 2 2 336.480 3.041 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000924855570 1323189238 /nfs/dbraw/zinc/18/92/38/1323189238.db2.gz WSNUFJISDCRAIS-DOTOQJQBSA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000924855570 1323189242 /nfs/dbraw/zinc/18/92/42/1323189242.db2.gz WSNUFJISDCRAIS-DOTOQJQBSA-N 2 2 329.444 3.246 20 0 EGADLP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001024236627 1323224215 /nfs/dbraw/zinc/22/42/15/1323224215.db2.gz MZQLRZGRATZEJJ-KRWDZBQOSA-N 2 2 346.519 3.096 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4c(F)cccc4F)n3)C[C@@H]2C1 ZINC000931440729 1329118312 /nfs/dbraw/zinc/11/83/12/1329118312.db2.gz XZXHBEOBZWSPJE-OLZOCXBDSA-N 2 2 333.382 3.003 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4c(F)cccc4F)n3)C[C@@H]2C1 ZINC000931440729 1329118314 /nfs/dbraw/zinc/11/83/14/1329118314.db2.gz XZXHBEOBZWSPJE-OLZOCXBDSA-N 2 2 333.382 3.003 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3coc(-c4c(F)cccc4F)n3)C[C@@H]2C1 ZINC000931440729 1329118316 /nfs/dbraw/zinc/11/83/16/1329118316.db2.gz XZXHBEOBZWSPJE-OLZOCXBDSA-N 2 2 333.382 3.003 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3coc(-c4c(F)cccc4F)n3)C[C@@H]2C1 ZINC000931440729 1329118318 /nfs/dbraw/zinc/11/83/18/1329118318.db2.gz XZXHBEOBZWSPJE-OLZOCXBDSA-N 2 2 333.382 3.003 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCC4)[C@@H]3C2)c(C)[nH+]1 ZINC001026317239 1324721455 /nfs/dbraw/zinc/72/14/55/1324721455.db2.gz KUNWLXPBOWVBSD-OTWHNJEPSA-N 2 2 341.499 3.247 20 0 EGADLP CC[C@@H]([NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001026568065 1324901977 /nfs/dbraw/zinc/90/19/77/1324901977.db2.gz RFOKETPOUFSGIM-FAFZWHIHSA-N 2 2 340.471 3.121 20 0 EGADLP COc1ccnc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000925177736 1325072272 /nfs/dbraw/zinc/07/22/72/1325072272.db2.gz FEQPBPJATUNXNR-HNAYVOBHSA-N 2 2 336.439 3.458 20 0 EGADLP FC(F)(F)c1ccc(N2CC[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925498909 1325179584 /nfs/dbraw/zinc/17/95/84/1325179584.db2.gz TUCGLPKYPIHAHG-ZBFHGGJFSA-N 2 2 339.405 3.158 20 0 EGADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1SC(C)(C)C ZINC000854231458 1325232882 /nfs/dbraw/zinc/23/28/82/1325232882.db2.gz DJJUTFNSAYUKQA-LBPRGKRZSA-N 2 2 346.500 3.382 20 0 EGADLP Cn1c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc2cc(Cl)ccc21 ZINC000925641786 1325243259 /nfs/dbraw/zinc/24/32/59/1325243259.db2.gz BPFZGCZSBFFAAU-HZPDHXFCSA-N 2 2 346.906 3.485 20 0 EGADLP Cn1c(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)nc2cc(Cl)ccc21 ZINC000925642830 1325244330 /nfs/dbraw/zinc/24/43/30/1325244330.db2.gz HBOKEMVWZDDWJW-OAUYIBNBSA-N 2 2 332.879 3.093 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCCC2 ZINC000925765517 1325290493 /nfs/dbraw/zinc/29/04/93/1325290493.db2.gz DUZLVWUEQHIECG-VQIMIIECSA-N 2 2 330.472 3.346 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCCC2 ZINC000925765516 1325290578 /nfs/dbraw/zinc/29/05/78/1325290578.db2.gz DUZLVWUEQHIECG-QFBILLFUSA-N 2 2 330.472 3.346 20 0 EGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792061 1325302926 /nfs/dbraw/zinc/30/29/26/1325302926.db2.gz OBWRIWUJPMAKTI-IEBWSBKVSA-N 2 2 328.500 3.429 20 0 EGADLP CCN(C(=O)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000925812488 1325312071 /nfs/dbraw/zinc/31/20/71/1325312071.db2.gz HUERACUKRNGOCZ-AZUAARDMSA-N 2 2 337.467 3.122 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925835046 1325321398 /nfs/dbraw/zinc/32/13/98/1325321398.db2.gz LMJRRNLDWYFGIY-HIFRSBDPSA-N 2 2 338.377 3.022 20 0 EGADLP C[C@@H]1CC(C)(C)c2cccc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)c21 ZINC000926198451 1325466721 /nfs/dbraw/zinc/46/67/21/1325466721.db2.gz LCHWSLSINVNDOV-CQSZACIVSA-N 2 2 344.503 3.016 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000857002982 1325552831 /nfs/dbraw/zinc/55/28/31/1325552831.db2.gz OHJSEMZADYXDCK-HNNXBMFYSA-N 2 2 326.444 3.412 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927021156 1327823669 /nfs/dbraw/zinc/82/36/69/1327823669.db2.gz WMRANIICUKOOBF-HOJAQTOUSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927021156 1327823677 /nfs/dbraw/zinc/82/36/77/1327823677.db2.gz WMRANIICUKOOBF-HOJAQTOUSA-N 2 2 343.515 3.373 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000927065562 1327838272 /nfs/dbraw/zinc/83/82/72/1327838272.db2.gz GENLCTROHBZRRZ-PZJWPPBQSA-N 2 2 344.499 3.379 20 0 EGADLP C[N@H+](CCC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000927080305 1327849469 /nfs/dbraw/zinc/84/94/69/1327849469.db2.gz JDWUMMKYAFOLJU-UHFFFAOYSA-N 2 2 344.503 3.139 20 0 EGADLP C[N@@H+](CCC(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000927080305 1327849476 /nfs/dbraw/zinc/84/94/76/1327849476.db2.gz JDWUMMKYAFOLJU-UHFFFAOYSA-N 2 2 344.503 3.139 20 0 EGADLP Clc1ccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927104089 1327864214 /nfs/dbraw/zinc/86/42/14/1327864214.db2.gz CBRHWMLZYLMCHJ-KVWWFHCMSA-N 2 2 334.891 3.429 20 0 EGADLP Clc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927104089 1327864223 /nfs/dbraw/zinc/86/42/23/1327864223.db2.gz CBRHWMLZYLMCHJ-KVWWFHCMSA-N 2 2 334.891 3.429 20 0 EGADLP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702074 1328117282 /nfs/dbraw/zinc/11/72/82/1328117282.db2.gz RTGYBVNRCIPBPR-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702074 1328117285 /nfs/dbraw/zinc/11/72/85/1328117285.db2.gz RTGYBVNRCIPBPR-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108818 1328188291 /nfs/dbraw/zinc/18/82/91/1328188291.db2.gz YIPJOZWRUYIVQC-MAUKXSAKSA-N 2 2 340.471 3.049 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108818 1328188297 /nfs/dbraw/zinc/18/82/97/1328188297.db2.gz YIPJOZWRUYIVQC-MAUKXSAKSA-N 2 2 340.471 3.049 20 0 EGADLP CC(C)[NH2+][C@@H]1CCCN(c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865488164 1329704532 /nfs/dbraw/zinc/70/45/32/1329704532.db2.gz LAPZWJXMTUGCDG-QGZVFWFLSA-N 2 2 325.460 3.056 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933244911 1329873964 /nfs/dbraw/zinc/87/39/64/1329873964.db2.gz AZTSQMPRCLKMSQ-XJKSGUPXSA-N 2 2 330.394 3.203 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933244911 1329873966 /nfs/dbraw/zinc/87/39/66/1329873966.db2.gz AZTSQMPRCLKMSQ-XJKSGUPXSA-N 2 2 330.394 3.203 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839805 1331214808 /nfs/dbraw/zinc/21/48/08/1331214808.db2.gz PLWVQLWPFVZEFY-QGZVFWFLSA-N 2 2 328.460 3.193 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839805 1331214811 /nfs/dbraw/zinc/21/48/11/1331214811.db2.gz PLWVQLWPFVZEFY-QGZVFWFLSA-N 2 2 328.460 3.193 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129704 1331344767 /nfs/dbraw/zinc/34/47/67/1331344767.db2.gz KFGBVODAZLINSG-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129704 1331344772 /nfs/dbraw/zinc/34/47/72/1331344772.db2.gz KFGBVODAZLINSG-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942180816 1331864485 /nfs/dbraw/zinc/86/44/85/1331864485.db2.gz KPNNZKPFLUKIBE-YJBOKZPZSA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942180816 1331864491 /nfs/dbraw/zinc/86/44/91/1331864491.db2.gz KPNNZKPFLUKIBE-YJBOKZPZSA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183432 1331866515 /nfs/dbraw/zinc/86/65/15/1331866515.db2.gz HEKNLINZMKQEOL-RHSMWYFYSA-N 2 2 342.487 3.439 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183432 1331866518 /nfs/dbraw/zinc/86/65/18/1331866518.db2.gz HEKNLINZMKQEOL-RHSMWYFYSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H]1C[N@H+](CC2CCCC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184644 1331867953 /nfs/dbraw/zinc/86/79/53/1331867953.db2.gz VUNNYNFHNWZOGF-WMLDXEAASA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184644 1331867956 /nfs/dbraw/zinc/86/79/56/1331867956.db2.gz VUNNYNFHNWZOGF-WMLDXEAASA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947862648 1333284030 /nfs/dbraw/zinc/28/40/30/1333284030.db2.gz UXNDYBVOUPTWQE-DOTOQJQBSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947862648 1333284033 /nfs/dbraw/zinc/28/40/33/1333284033.db2.gz UXNDYBVOUPTWQE-DOTOQJQBSA-N 2 2 346.519 3.138 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948811958 1333692460 /nfs/dbraw/zinc/69/24/60/1333692460.db2.gz CNIMAAJFUZBKLZ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](CC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1)n1cc[nH+]c1 ZINC000950961278 1334161342 /nfs/dbraw/zinc/16/13/42/1334161342.db2.gz AYWMIFDDOJOWOJ-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902245 1336085087 /nfs/dbraw/zinc/08/50/87/1336085087.db2.gz VTYUHPXOTXQUGE-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902245 1336085089 /nfs/dbraw/zinc/08/50/89/1336085089.db2.gz VTYUHPXOTXQUGE-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902245 1336085092 /nfs/dbraw/zinc/08/50/92/1336085092.db2.gz VTYUHPXOTXQUGE-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902245 1336085094 /nfs/dbraw/zinc/08/50/94/1336085094.db2.gz VTYUHPXOTXQUGE-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969024095 1336120460 /nfs/dbraw/zinc/12/04/60/1336120460.db2.gz YQUDWAURRPNMEH-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969024095 1336120462 /nfs/dbraw/zinc/12/04/62/1336120462.db2.gz YQUDWAURRPNMEH-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1O ZINC001205288320 1370708442 /nfs/dbraw/zinc/70/84/42/1370708442.db2.gz IRRZVLDKADUYNS-HNNXBMFYSA-N 2 2 327.266 3.166 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1O ZINC001205288320 1370708444 /nfs/dbraw/zinc/70/84/44/1370708444.db2.gz IRRZVLDKADUYNS-HNNXBMFYSA-N 2 2 327.266 3.166 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000969317906 1336199875 /nfs/dbraw/zinc/19/98/75/1336199875.db2.gz MDQXBKUGGVOABB-FUHWJXTLSA-N 2 2 348.450 3.208 20 0 EGADLP CC(C)C[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001005791175 1336402120 /nfs/dbraw/zinc/40/21/20/1336402120.db2.gz NTBJYKOCEHPPQJ-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642182 1336681978 /nfs/dbraw/zinc/68/19/78/1336681978.db2.gz SRXGBFHMUOEUTG-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642182 1336681982 /nfs/dbraw/zinc/68/19/82/1336681982.db2.gz SRXGBFHMUOEUTG-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205922891 1370912176 /nfs/dbraw/zinc/91/21/76/1370912176.db2.gz CWTXZRKYBSWXRR-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205922891 1370912183 /nfs/dbraw/zinc/91/21/83/1370912183.db2.gz CWTXZRKYBSWXRR-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@@H]1F ZINC001206173138 1370980069 /nfs/dbraw/zinc/98/00/69/1370980069.db2.gz FIFSMOCDENRNEQ-STQMWFEESA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@@H]1F ZINC001206173138 1370980075 /nfs/dbraw/zinc/98/00/75/1370980075.db2.gz FIFSMOCDENRNEQ-STQMWFEESA-N 2 2 340.240 3.192 20 0 EGADLP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001029165519 1340946629 /nfs/dbraw/zinc/94/66/29/1340946629.db2.gz IJBIANDZXUHVBN-OAHLLOKOSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001030000597 1341152519 /nfs/dbraw/zinc/15/25/19/1341152519.db2.gz BGOSOBQPMMLSSV-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001030000597 1341152521 /nfs/dbraw/zinc/15/25/21/1341152521.db2.gz BGOSOBQPMMLSSV-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP O=C(NC1C[NH+]([C@@H]2CCCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001030527795 1341194256 /nfs/dbraw/zinc/19/42/56/1341194256.db2.gz UTYLFPZMWWNXEP-HXUWFJFHSA-N 2 2 346.434 3.055 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030593755 1341199532 /nfs/dbraw/zinc/19/95/32/1341199532.db2.gz BSMHKCLUOXSSFQ-WOJBJXKFSA-N 2 2 343.515 3.059 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030593755 1341199533 /nfs/dbraw/zinc/19/95/33/1341199533.db2.gz BSMHKCLUOXSSFQ-WOJBJXKFSA-N 2 2 343.515 3.059 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031045795 1341269120 /nfs/dbraw/zinc/26/91/20/1341269120.db2.gz URQWBDKUVJDWOH-PMACEKPBSA-N 2 2 343.515 3.201 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031045795 1341269122 /nfs/dbraw/zinc/26/91/22/1341269122.db2.gz URQWBDKUVJDWOH-PMACEKPBSA-N 2 2 343.515 3.201 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001031440295 1341342579 /nfs/dbraw/zinc/34/25/79/1341342579.db2.gz UEKOENCUSLHRJY-FXAWDEMLSA-N 2 2 343.515 3.039 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001031440295 1341342581 /nfs/dbraw/zinc/34/25/81/1341342581.db2.gz UEKOENCUSLHRJY-FXAWDEMLSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1)n1cc[nH+]c1 ZINC001032657145 1341572490 /nfs/dbraw/zinc/57/24/90/1341572490.db2.gz YTFILNFGEYXMFF-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1)n1cc[nH+]c1 ZINC001032657145 1341572491 /nfs/dbraw/zinc/57/24/91/1341572491.db2.gz YTFILNFGEYXMFF-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001034006086 1342143674 /nfs/dbraw/zinc/14/36/74/1342143674.db2.gz XMSVEUVBDBPDFR-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001034006086 1342143677 /nfs/dbraw/zinc/14/36/77/1342143677.db2.gz XMSVEUVBDBPDFR-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665265 1342678507 /nfs/dbraw/zinc/67/85/07/1342678507.db2.gz GBJSVQYBZYGAEQ-BRSBDYLESA-N 2 2 342.487 3.031 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665265 1342678511 /nfs/dbraw/zinc/67/85/11/1342678511.db2.gz GBJSVQYBZYGAEQ-BRSBDYLESA-N 2 2 342.487 3.031 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCC3)CC2)c[nH+]1 ZINC001034670937 1342681495 /nfs/dbraw/zinc/68/14/95/1342681495.db2.gz FUXSOYJUVCQREO-IYARVYRRSA-N 2 2 346.519 3.134 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3C[NH2+]CC3CCCC3)ccn12 ZINC001034937613 1342843834 /nfs/dbraw/zinc/84/38/34/1342843834.db2.gz ZOUHFTJYUDYKPK-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(CC[N@H+](CCCF)C3)CC2)c(C)[nH+]1 ZINC001035207429 1343024927 /nfs/dbraw/zinc/02/49/27/1343024927.db2.gz SRLSQXRUHNMNBJ-UHFFFAOYSA-N 2 2 347.478 3.295 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(CC[N@@H+](CCCF)C3)CC2)c(C)[nH+]1 ZINC001035207429 1343024932 /nfs/dbraw/zinc/02/49/32/1343024932.db2.gz SRLSQXRUHNMNBJ-UHFFFAOYSA-N 2 2 347.478 3.295 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231039 1343052539 /nfs/dbraw/zinc/05/25/39/1343052539.db2.gz HCSHYWPPXVFBIQ-QZTJIDSGSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231039 1343052545 /nfs/dbraw/zinc/05/25/45/1343052545.db2.gz HCSHYWPPXVFBIQ-QZTJIDSGSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231808 1343053939 /nfs/dbraw/zinc/05/39/39/1343053939.db2.gz SFAUSDSRSQOHJS-GOSISDBHSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231808 1343053947 /nfs/dbraw/zinc/05/39/47/1343053947.db2.gz SFAUSDSRSQOHJS-GOSISDBHSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869414 1343807623 /nfs/dbraw/zinc/80/76/23/1343807623.db2.gz CWHNFFJXOQIMAV-JKSUJKDBSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869414 1343807628 /nfs/dbraw/zinc/80/76/28/1343807628.db2.gz CWHNFFJXOQIMAV-JKSUJKDBSA-N 2 2 346.519 3.046 20 0 EGADLP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1[NH2+]CC1CC1 ZINC001037885979 1344161256 /nfs/dbraw/zinc/16/12/56/1344161256.db2.gz DCXSBBPTALZEMT-ZWKOTPCHSA-N 2 2 329.488 3.247 20 0 EGADLP CC[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1[NH2+]C(C)C ZINC001037970639 1344210611 /nfs/dbraw/zinc/21/06/11/1344210611.db2.gz NKEMVXBQPCOIQB-LPHOPBHVSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038418423 1344420528 /nfs/dbraw/zinc/42/05/28/1344420528.db2.gz WIFBPFSUSJQGQL-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C)cc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038418423 1344420531 /nfs/dbraw/zinc/42/05/31/1344420531.db2.gz WIFBPFSUSJQGQL-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161721 1344846566 /nfs/dbraw/zinc/84/65/66/1344846566.db2.gz MRBMIUNEMXVVES-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161721 1344846572 /nfs/dbraw/zinc/84/65/72/1344846572.db2.gz MRBMIUNEMXVVES-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868497 1345590288 /nfs/dbraw/zinc/59/02/88/1345590288.db2.gz SJVNHIJNPDSWKH-ZWKOTPCHSA-N 2 2 346.519 3.195 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CC2CCCCCC2)C1 ZINC001043092262 1346139407 /nfs/dbraw/zinc/13/94/07/1346139407.db2.gz SKBLBYANBZGMBY-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876714 1346452817 /nfs/dbraw/zinc/45/28/17/1346452817.db2.gz BTMFPKOAMLZZKF-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001045128557 1346499969 /nfs/dbraw/zinc/49/99/69/1346499969.db2.gz KTSPOBSWNZAIBD-IBGZPJMESA-N 2 2 337.467 3.401 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439402 1346594175 /nfs/dbraw/zinc/59/41/75/1346594175.db2.gz LLDDOAARSQIMHM-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553066 1346628459 /nfs/dbraw/zinc/62/84/59/1346628459.db2.gz DZXYRFIFZNGWJY-OAHLLOKOSA-N 2 2 346.519 3.237 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)c[nH+]1 ZINC001045800476 1346701251 /nfs/dbraw/zinc/70/12/51/1346701251.db2.gz CDKJPNCQGIVXCX-MSOLQXFVSA-N 2 2 346.519 3.038 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)c[nH+]1 ZINC001045800476 1346701253 /nfs/dbraw/zinc/70/12/53/1346701253.db2.gz CDKJPNCQGIVXCX-MSOLQXFVSA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045968585 1346802773 /nfs/dbraw/zinc/80/27/73/1346802773.db2.gz DBFSMQDGXDYYIW-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045968585 1346802774 /nfs/dbraw/zinc/80/27/74/1346802774.db2.gz DBFSMQDGXDYYIW-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CC2=CCCCC2)C1 ZINC001046421777 1346971054 /nfs/dbraw/zinc/97/10/54/1346971054.db2.gz JKOCVLUWXCMTSA-FQEVSTJZSA-N 2 2 338.455 3.258 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046421777 1346971059 /nfs/dbraw/zinc/97/10/59/1346971059.db2.gz JKOCVLUWXCMTSA-FQEVSTJZSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049552957 1347905862 /nfs/dbraw/zinc/90/58/62/1347905862.db2.gz RJXJLEDEAUMGKJ-MOPGFXCFSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049552957 1347905864 /nfs/dbraw/zinc/90/58/64/1347905864.db2.gz RJXJLEDEAUMGKJ-MOPGFXCFSA-N 2 2 338.455 3.042 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049783208 1348020253 /nfs/dbraw/zinc/02/02/53/1348020253.db2.gz SITIOSAHFPPEMF-ATZDWAIDSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049783208 1348020255 /nfs/dbraw/zinc/02/02/55/1348020255.db2.gz SITIOSAHFPPEMF-ATZDWAIDSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049783208 1348020258 /nfs/dbraw/zinc/02/02/58/1348020258.db2.gz SITIOSAHFPPEMF-ATZDWAIDSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049783208 1348020262 /nfs/dbraw/zinc/02/02/62/1348020262.db2.gz SITIOSAHFPPEMF-ATZDWAIDSA-N 2 2 346.519 3.090 20 0 EGADLP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001050336814 1348230542 /nfs/dbraw/zinc/23/05/42/1348230542.db2.gz RDCTVUPOQXDEJH-JCNLHEQBSA-N 2 2 340.471 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC3(C2)CC[NH+](CC[C@H](C)F)CC3)c(C)[nH+]1 ZINC001050598608 1348296822 /nfs/dbraw/zinc/29/68/22/1348296822.db2.gz MXPHQTWKJSUYIT-HNNXBMFYSA-N 2 2 347.478 3.293 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599043 1348591473 /nfs/dbraw/zinc/59/14/73/1348591473.db2.gz RIKZVWNJYYTOKQ-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599043 1348591476 /nfs/dbraw/zinc/59/14/76/1348591476.db2.gz RIKZVWNJYYTOKQ-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750531 1348661671 /nfs/dbraw/zinc/66/16/71/1348661671.db2.gz JWJUZOWOXUNLKD-HKUYNNGSSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750531 1348661674 /nfs/dbraw/zinc/66/16/74/1348661674.db2.gz JWJUZOWOXUNLKD-HKUYNNGSSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052896454 1348732864 /nfs/dbraw/zinc/73/28/64/1348732864.db2.gz CAUBGWUIEGESBK-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052896454 1348732867 /nfs/dbraw/zinc/73/28/67/1348732867.db2.gz CAUBGWUIEGESBK-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(Br)cc1C ZINC001232317808 1376439753 /nfs/dbraw/zinc/43/97/53/1376439753.db2.gz BGTIQVUXKMQTGE-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(Br)cc1C ZINC001232317808 1376439755 /nfs/dbraw/zinc/43/97/55/1376439755.db2.gz BGTIQVUXKMQTGE-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP Cc1cccc(C[NH2+]C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)c1 ZINC001323022559 1387268262 /nfs/dbraw/zinc/26/82/62/1387268262.db2.gz PEWJLZYZIMDBCY-FQEVSTJZSA-N 2 2 348.450 3.170 20 0 EGADLP COc1cc(C)nc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001323023920 1387269942 /nfs/dbraw/zinc/26/99/42/1387269942.db2.gz AYZVXQPHUGDIOV-QGZVFWFLSA-N 2 2 326.444 3.179 20 0 EGADLP COc1cc(C)nc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001323023920 1387269946 /nfs/dbraw/zinc/26/99/46/1387269946.db2.gz AYZVXQPHUGDIOV-QGZVFWFLSA-N 2 2 326.444 3.179 20 0 EGADLP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711907 1354869987 /nfs/dbraw/zinc/86/99/87/1354869987.db2.gz GIWBDNXEBHOENR-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711907 1354869992 /nfs/dbraw/zinc/86/99/92/1354869992.db2.gz GIWBDNXEBHOENR-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072028584 1355089607 /nfs/dbraw/zinc/08/96/07/1355089607.db2.gz APHJLLMFPPIQBM-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072028584 1355089612 /nfs/dbraw/zinc/08/96/12/1355089612.db2.gz APHJLLMFPPIQBM-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001074022031 1356038819 /nfs/dbraw/zinc/03/88/19/1356038819.db2.gz MLJPIHKJSLQVBA-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001074022031 1356038820 /nfs/dbraw/zinc/03/88/20/1356038820.db2.gz MLJPIHKJSLQVBA-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001074022031 1356038822 /nfs/dbraw/zinc/03/88/22/1356038822.db2.gz MLJPIHKJSLQVBA-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001074022031 1356038824 /nfs/dbraw/zinc/03/88/24/1356038824.db2.gz MLJPIHKJSLQVBA-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C)c1ccccc1 ZINC001074742735 1356230247 /nfs/dbraw/zinc/23/02/47/1356230247.db2.gz ZIJBZYNRSQJDHJ-BQFCYCMXSA-N 2 2 348.450 3.288 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360126 1363772480 /nfs/dbraw/zinc/77/24/80/1363772480.db2.gz VXDKGGGXOXVWNX-QZTJIDSGSA-N 2 2 348.535 3.172 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360126 1363772482 /nfs/dbraw/zinc/77/24/82/1363772482.db2.gz VXDKGGGXOXVWNX-QZTJIDSGSA-N 2 2 348.535 3.172 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496254 1387313271 /nfs/dbraw/zinc/31/32/71/1387313271.db2.gz MAEZTTLSZZBGGN-MGBKSAOESA-N 2 2 346.519 3.407 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496252 1387313475 /nfs/dbraw/zinc/31/34/75/1387313475.db2.gz MAEZTTLSZZBGGN-KAGICYHLSA-N 2 2 346.519 3.407 20 0 EGADLP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001085244789 1358443099 /nfs/dbraw/zinc/44/30/99/1358443099.db2.gz XLCXSJQTPQZSAA-VKYMVXLJSA-N 2 2 340.471 3.240 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001085856317 1358823672 /nfs/dbraw/zinc/82/36/72/1358823672.db2.gz WJOXAUJXRHYITG-ZWKOTPCHSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001085856317 1358823676 /nfs/dbraw/zinc/82/36/76/1358823676.db2.gz WJOXAUJXRHYITG-ZWKOTPCHSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001085856317 1358823677 /nfs/dbraw/zinc/82/36/77/1358823677.db2.gz WJOXAUJXRHYITG-ZWKOTPCHSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001085856317 1358823681 /nfs/dbraw/zinc/82/36/81/1358823681.db2.gz WJOXAUJXRHYITG-ZWKOTPCHSA-N 2 2 349.544 3.044 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920404 1359247295 /nfs/dbraw/zinc/24/72/95/1359247295.db2.gz NXBSDHJWNVTEBC-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001087195335 1359317180 /nfs/dbraw/zinc/31/71/80/1359317180.db2.gz LEZZDYSHHMRFNP-APWZRJJASA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001089238697 1360276029 /nfs/dbraw/zinc/27/60/29/1360276029.db2.gz RREFSZHNWIHDCC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001089238697 1360276032 /nfs/dbraw/zinc/27/60/32/1360276032.db2.gz RREFSZHNWIHDCC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001089238697 1360276034 /nfs/dbraw/zinc/27/60/34/1360276034.db2.gz RREFSZHNWIHDCC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001089238697 1360276035 /nfs/dbraw/zinc/27/60/35/1360276035.db2.gz RREFSZHNWIHDCC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092058049 1361285029 /nfs/dbraw/zinc/28/50/29/1361285029.db2.gz YBEBTWJCDUARIG-HLIPFELVSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092058049 1361285030 /nfs/dbraw/zinc/28/50/30/1361285030.db2.gz YBEBTWJCDUARIG-HLIPFELVSA-N 2 2 346.519 3.051 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[N@@H+]4CCC(C)C)ccn12 ZINC001097077277 1362834807 /nfs/dbraw/zinc/83/48/07/1362834807.db2.gz YNXZTRMIGCXIIE-KURKYZTESA-N 2 2 340.471 3.024 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[N@H+]4CCC(C)C)ccn12 ZINC001097077277 1362834809 /nfs/dbraw/zinc/83/48/09/1362834809.db2.gz YNXZTRMIGCXIIE-KURKYZTESA-N 2 2 340.471 3.024 20 0 EGADLP CC(C)C[C@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001100428667 1364110509 /nfs/dbraw/zinc/11/05/09/1364110509.db2.gz FMXSLNYGLQMHGF-CTWPCTMYSA-N 2 2 346.519 3.145 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446167 1364117389 /nfs/dbraw/zinc/11/73/89/1364117389.db2.gz SHGNDJRNHHLTTM-UQPPLGOBSA-N 2 2 342.487 3.343 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500180 1364137134 /nfs/dbraw/zinc/13/71/34/1364137134.db2.gz AHIQGYCNVNSSQG-SNAWJCMRSA-N 2 2 340.471 3.179 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100747309 1364245306 /nfs/dbraw/zinc/24/53/06/1364245306.db2.gz GFSTYCBCAOGCLF-ZLPCBKJTSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100747309 1364245310 /nfs/dbraw/zinc/24/53/10/1364245310.db2.gz GFSTYCBCAOGCLF-ZLPCBKJTSA-N 2 2 346.519 3.043 20 0 EGADLP CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101274486 1364495063 /nfs/dbraw/zinc/49/50/63/1364495063.db2.gz IEEOSOVXPRBZCY-HBFSDRIKSA-N 2 2 346.519 3.051 20 0 EGADLP CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101274486 1364495065 /nfs/dbraw/zinc/49/50/65/1364495065.db2.gz IEEOSOVXPRBZCY-HBFSDRIKSA-N 2 2 346.519 3.051 20 0 EGADLP CCC(CC)C[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579312 1364631427 /nfs/dbraw/zinc/63/14/27/1364631427.db2.gz CCLKWWJDSDKPFQ-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001101579365 1364632137 /nfs/dbraw/zinc/63/21/37/1364632137.db2.gz DJDZKCPNJCAZRG-MRXNPFEDSA-N 2 2 334.508 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185571643 1387752389 /nfs/dbraw/zinc/75/23/89/1387752389.db2.gz FEZABPHQURAXTH-WBVHZDCISA-N 2 2 348.535 3.161 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185572202 1387752984 /nfs/dbraw/zinc/75/29/84/1387752984.db2.gz IBVUHOOXTDEGIY-ANBQXBGZSA-N 2 2 346.519 3.081 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104133382 1365921667 /nfs/dbraw/zinc/92/16/67/1365921667.db2.gz WCVBWZYYESCYGU-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544789 1366521546 /nfs/dbraw/zinc/52/15/46/1366521546.db2.gz ULLJFTUKOUKNFA-NUJGCVRESA-N 2 2 344.503 3.063 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544789 1366521548 /nfs/dbraw/zinc/52/15/48/1366521548.db2.gz ULLJFTUKOUKNFA-NUJGCVRESA-N 2 2 344.503 3.063 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CC[C@H](C)F)[C@H](C)C2)c(C)[nH+]1 ZINC001106455166 1366701228 /nfs/dbraw/zinc/70/12/28/1366701228.db2.gz CZKVLELZZPNCSP-JKIFEVAISA-N 2 2 335.467 3.053 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433123 1366961895 /nfs/dbraw/zinc/96/18/95/1366961895.db2.gz OMJCKDAUMCLOFA-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433123 1366961896 /nfs/dbraw/zinc/96/18/96/1366961896.db2.gz OMJCKDAUMCLOFA-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433123 1366961898 /nfs/dbraw/zinc/96/18/98/1366961898.db2.gz OMJCKDAUMCLOFA-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433123 1366961900 /nfs/dbraw/zinc/96/19/00/1366961900.db2.gz OMJCKDAUMCLOFA-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440471 1367121719 /nfs/dbraw/zinc/12/17/19/1367121719.db2.gz WKMAWSVBVZZGNL-SQNIBIBYSA-N 2 2 346.519 3.228 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440471 1367121722 /nfs/dbraw/zinc/12/17/22/1367121722.db2.gz WKMAWSVBVZZGNL-SQNIBIBYSA-N 2 2 346.519 3.228 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109773391 1367314540 /nfs/dbraw/zinc/31/45/40/1367314540.db2.gz SAUBMSLULKAGRN-MHORFTMASA-N 2 2 332.492 3.136 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109773391 1367314545 /nfs/dbraw/zinc/31/45/45/1367314545.db2.gz SAUBMSLULKAGRN-MHORFTMASA-N 2 2 332.492 3.136 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001191444578 1367504832 /nfs/dbraw/zinc/50/48/32/1367504832.db2.gz OLBJDUXJVNOIKK-AZUAARDMSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001191444578 1367504834 /nfs/dbraw/zinc/50/48/34/1367504834.db2.gz OLBJDUXJVNOIKK-AZUAARDMSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001191444578 1367504837 /nfs/dbraw/zinc/50/48/37/1367504837.db2.gz OLBJDUXJVNOIKK-AZUAARDMSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001191444578 1367504838 /nfs/dbraw/zinc/50/48/38/1367504838.db2.gz OLBJDUXJVNOIKK-AZUAARDMSA-N 2 2 343.515 3.376 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001111781137 1368459295 /nfs/dbraw/zinc/45/92/95/1368459295.db2.gz FBSWZKATKZIHAE-XLSPSMHOSA-N 2 2 344.503 3.064 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001111781137 1368459296 /nfs/dbraw/zinc/45/92/96/1368459296.db2.gz FBSWZKATKZIHAE-XLSPSMHOSA-N 2 2 344.503 3.064 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001111781137 1368459298 /nfs/dbraw/zinc/45/92/98/1368459298.db2.gz FBSWZKATKZIHAE-XLSPSMHOSA-N 2 2 344.503 3.064 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001111781137 1368459299 /nfs/dbraw/zinc/45/92/99/1368459299.db2.gz FBSWZKATKZIHAE-XLSPSMHOSA-N 2 2 344.503 3.064 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242501 1368574645 /nfs/dbraw/zinc/57/46/45/1368574645.db2.gz KAYJYWBBGAWGPN-ZMBJWTFHSA-N 2 2 346.519 3.361 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021474 1368623543 /nfs/dbraw/zinc/62/35/43/1368623543.db2.gz PEHGYJHTQBDDPT-ICSRJNTNSA-N 2 2 346.519 3.070 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021474 1368623549 /nfs/dbraw/zinc/62/35/49/1368623549.db2.gz PEHGYJHTQBDDPT-ICSRJNTNSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125857 1368750081 /nfs/dbraw/zinc/75/00/81/1368750081.db2.gz NATJSJVPZKEOHA-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125857 1368750084 /nfs/dbraw/zinc/75/00/84/1368750084.db2.gz NATJSJVPZKEOHA-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001198367944 1369017071 /nfs/dbraw/zinc/01/70/71/1369017071.db2.gz FPIQLWDXAYRNNZ-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001198367944 1369017074 /nfs/dbraw/zinc/01/70/74/1369017074.db2.gz FPIQLWDXAYRNNZ-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112991502 1369126264 /nfs/dbraw/zinc/12/62/64/1369126264.db2.gz NPHMRASANGEUOD-GOSISDBHSA-N 2 2 334.508 3.195 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994770 1369127654 /nfs/dbraw/zinc/12/76/54/1369127654.db2.gz GTQMIBONPTUDLW-GHOSXJJBSA-N 2 2 346.519 3.361 20 0 EGADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529189 1369479547 /nfs/dbraw/zinc/47/95/47/1369479547.db2.gz HVKLQMMIKBKVSM-YJJPMGAVSA-N 2 2 343.515 3.180 20 0 EGADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529189 1369479550 /nfs/dbraw/zinc/47/95/50/1369479550.db2.gz HVKLQMMIKBKVSM-YJJPMGAVSA-N 2 2 343.515 3.180 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201559774 1369574808 /nfs/dbraw/zinc/57/48/08/1369574808.db2.gz NBOJKGSMZIOHHZ-KRWDZBQOSA-N 2 2 329.492 3.202 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201559774 1369574816 /nfs/dbraw/zinc/57/48/16/1369574816.db2.gz NBOJKGSMZIOHHZ-KRWDZBQOSA-N 2 2 329.492 3.202 20 0 EGADLP Cc1ccc2c(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)cccc2[nH+]1 ZINC001201666955 1369601451 /nfs/dbraw/zinc/60/14/51/1369601451.db2.gz JRFVZZDKKDQVIU-UHFFFAOYSA-N 3 2 333.439 3.434 20 0 EGADLP COc1ccc([C@H]([NH2+]CCCc2nc(C)cs2)[C@@H]2CCC[NH2+]2)cc1 ZINC001325716121 1388033696 /nfs/dbraw/zinc/03/36/96/1388033696.db2.gz FPTQRMYDUNOVTD-HKUYNNGSSA-N 2 2 345.512 3.476 20 0 EGADLP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813398 1370273832 /nfs/dbraw/zinc/27/38/32/1370273832.db2.gz CLXIDYPUIKNIIF-IRXDYDNUSA-N 2 2 346.519 3.117 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813868 1370274471 /nfs/dbraw/zinc/27/44/71/1370274471.db2.gz FQNXSZNFPFKWFD-GVKUHWBJSA-N 2 2 344.503 3.037 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1 ZINC001203969311 1370334635 /nfs/dbraw/zinc/33/46/35/1370334635.db2.gz DVDQOGBUDDNGDS-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1OC ZINC001204194183 1370403708 /nfs/dbraw/zinc/40/37/08/1370403708.db2.gz XTDRUUFZEIPRBT-QGZVFWFLSA-N 2 2 342.439 3.451 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1OC ZINC001204194183 1370403711 /nfs/dbraw/zinc/40/37/11/1370403711.db2.gz XTDRUUFZEIPRBT-QGZVFWFLSA-N 2 2 342.439 3.451 20 0 EGADLP CCCOc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001204308699 1370439531 /nfs/dbraw/zinc/43/95/31/1370439531.db2.gz IMPYUGVBWURUSV-UHFFFAOYSA-N 2 2 340.471 3.204 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@@H]3C2)nc1 ZINC001204502504 1370494691 /nfs/dbraw/zinc/49/46/91/1370494691.db2.gz SLRCZPXOJYMHMC-OALUTQOASA-N 2 2 344.462 3.194 20 0 EGADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)oc1C ZINC001204531391 1370505532 /nfs/dbraw/zinc/50/55/32/1370505532.db2.gz NLTRYYHCUTXGQD-UHFFFAOYSA-N 2 2 342.487 3.261 20 0 EGADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)oc1C ZINC001204531391 1370505536 /nfs/dbraw/zinc/50/55/36/1370505536.db2.gz NLTRYYHCUTXGQD-UHFFFAOYSA-N 2 2 342.487 3.261 20 0 EGADLP CCCCCC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115509936 1370508817 /nfs/dbraw/zinc/50/88/17/1370508817.db2.gz HNTDWJIXROURAB-UHFFFAOYSA-N 2 2 334.508 3.331 20 0 EGADLP Brc1ccc2sc(C[N@@H+]3CCC[NH2+]CC3)cc2c1 ZINC001204667183 1370540025 /nfs/dbraw/zinc/54/00/25/1370540025.db2.gz GOQYAFBQFOHZHL-UHFFFAOYSA-N 2 2 325.275 3.459 20 0 EGADLP Brc1ccc2sc(C[N@H+]3CCC[NH2+]CC3)cc2c1 ZINC001204667183 1370540030 /nfs/dbraw/zinc/54/00/30/1370540030.db2.gz GOQYAFBQFOHZHL-UHFFFAOYSA-N 2 2 325.275 3.459 20 0 EGADLP Cn1cc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)cn1 ZINC001204995529 1370623269 /nfs/dbraw/zinc/62/32/69/1370623269.db2.gz UHBQFSGHYDMPFI-UHFFFAOYSA-N 2 2 347.466 3.221 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655832 1370641633 /nfs/dbraw/zinc/64/16/33/1370641633.db2.gz MGTWSUJJKZJPCH-UHFFFAOYSA-N 2 2 334.508 3.118 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115655960 1370641980 /nfs/dbraw/zinc/64/19/80/1370641980.db2.gz UMLUTBREKCYEJS-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP CSc1ncc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(NC2CCCC2)n1 ZINC001205266751 1370700229 /nfs/dbraw/zinc/70/02/29/1370700229.db2.gz XGMISMHKGIXUFN-GOSISDBHSA-N 2 2 349.548 3.256 20 0 EGADLP CSc1ncc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(NC2CCCC2)n1 ZINC001205266751 1370700233 /nfs/dbraw/zinc/70/02/33/1370700233.db2.gz XGMISMHKGIXUFN-GOSISDBHSA-N 2 2 349.548 3.256 20 0 EGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001205411947 1370747660 /nfs/dbraw/zinc/74/76/60/1370747660.db2.gz STTUULMLBKFQSV-PMACEKPBSA-N 2 2 348.531 3.318 20 0 EGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001205411947 1370747664 /nfs/dbraw/zinc/74/76/64/1370747664.db2.gz STTUULMLBKFQSV-PMACEKPBSA-N 2 2 348.531 3.318 20 0 EGADLP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1F)C[C@H]1C[NH2+]CCO1 ZINC001205539409 1370785215 /nfs/dbraw/zinc/78/52/15/1370785215.db2.gz YQSODHRHELAQCO-MRXNPFEDSA-N 2 2 332.394 3.052 20 0 EGADLP C[N@H+](Cc1ccccc1-c1ccc(F)cc1F)C[C@H]1C[NH2+]CCO1 ZINC001205539409 1370785219 /nfs/dbraw/zinc/78/52/19/1370785219.db2.gz YQSODHRHELAQCO-MRXNPFEDSA-N 2 2 332.394 3.052 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)OC1CCCCC1 ZINC001116070735 1370831610 /nfs/dbraw/zinc/83/16/10/1370831610.db2.gz ASPZSUODMNNGIU-CYBMUJFWSA-N 2 2 328.416 3.252 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCOCc1ccccc1 ZINC001116070986 1370832576 /nfs/dbraw/zinc/83/25/76/1370832576.db2.gz LTUNIGFYLXWNAC-UHFFFAOYSA-N 2 2 336.395 3.121 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnoc3)C[C@H]21 ZINC001205689914 1370843320 /nfs/dbraw/zinc/84/33/20/1370843320.db2.gz QBPXICYQIQLXNA-KBAYOESNSA-N 2 2 331.485 3.469 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnoc3)C[C@H]21 ZINC001205689914 1370843323 /nfs/dbraw/zinc/84/33/23/1370843323.db2.gz QBPXICYQIQLXNA-KBAYOESNSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnoc3)C[C@H]21 ZINC001205689914 1370843326 /nfs/dbraw/zinc/84/33/26/1370843326.db2.gz QBPXICYQIQLXNA-KBAYOESNSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnoc3)C[C@H]21 ZINC001205689914 1370843329 /nfs/dbraw/zinc/84/33/29/1370843329.db2.gz QBPXICYQIQLXNA-KBAYOESNSA-N 2 2 331.485 3.469 20 0 EGADLP c1[nH+]c2ccccn2c1Nc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001205791468 1370872419 /nfs/dbraw/zinc/87/24/19/1370872419.db2.gz SIFUTFRSNLFIBN-UHFFFAOYSA-N 2 2 334.423 3.399 20 0 EGADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205795932 1370874724 /nfs/dbraw/zinc/87/47/24/1370874724.db2.gz MCKZPFSGKWSKED-KRWDZBQOSA-N 2 2 331.410 3.473 20 0 EGADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205795932 1370874729 /nfs/dbraw/zinc/87/47/29/1370874729.db2.gz MCKZPFSGKWSKED-KRWDZBQOSA-N 2 2 331.410 3.473 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796986 1370874806 /nfs/dbraw/zinc/87/48/06/1370874806.db2.gz WTGWLMUXQQVYFU-KRWDZBQOSA-N 2 2 347.409 3.173 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796986 1370874812 /nfs/dbraw/zinc/87/48/12/1370874812.db2.gz WTGWLMUXQQVYFU-KRWDZBQOSA-N 2 2 347.409 3.173 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351117 1370892094 /nfs/dbraw/zinc/89/20/94/1370892094.db2.gz ZKZDWGNXFACWOT-MAUKXSAKSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351117 1370892096 /nfs/dbraw/zinc/89/20/96/1370892096.db2.gz ZKZDWGNXFACWOT-MAUKXSAKSA-N 2 2 347.409 3.278 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]1O ZINC001205967274 1370924791 /nfs/dbraw/zinc/92/47/91/1370924791.db2.gz LSXVUCAWQRCZPX-QZTJIDSGSA-N 2 2 332.831 3.026 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]1O ZINC001205967274 1370924795 /nfs/dbraw/zinc/92/47/95/1370924795.db2.gz LSXVUCAWQRCZPX-QZTJIDSGSA-N 2 2 332.831 3.026 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C)c1Br ZINC001206185193 1370985028 /nfs/dbraw/zinc/98/50/28/1370985028.db2.gz LLSLBZUQGMFIQX-KGLIPLIRSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C)c1Br ZINC001206185193 1370985033 /nfs/dbraw/zinc/98/50/33/1370985033.db2.gz LLSLBZUQGMFIQX-KGLIPLIRSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001116868310 1370990353 /nfs/dbraw/zinc/99/03/53/1370990353.db2.gz ULYMWGQBUOJVLM-UHFFFAOYSA-N 3 2 341.459 3.169 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001116868310 1370990355 /nfs/dbraw/zinc/99/03/55/1370990355.db2.gz ULYMWGQBUOJVLM-UHFFFAOYSA-N 3 2 341.459 3.169 20 0 EGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001326077056 1388109505 /nfs/dbraw/zinc/10/95/05/1388109505.db2.gz VBUADKNJIYQRQE-CQSZACIVSA-N 2 2 334.895 3.147 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)n2)cc1 ZINC001206351627 1371029780 /nfs/dbraw/zinc/02/97/80/1371029780.db2.gz GPTHPJFBNQWUTA-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)n2)cc1 ZINC001206351627 1371029782 /nfs/dbraw/zinc/02/97/82/1371029782.db2.gz GPTHPJFBNQWUTA-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206639924 1371115917 /nfs/dbraw/zinc/11/59/17/1371115917.db2.gz GRTYZCDVFGYBMX-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206639924 1371115921 /nfs/dbraw/zinc/11/59/21/1371115921.db2.gz GRTYZCDVFGYBMX-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP [NH3+][C@@H]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc21 ZINC001206739596 1371150472 /nfs/dbraw/zinc/15/04/72/1371150472.db2.gz ANUFTPZQXAPIGN-HXUWFJFHSA-N 2 2 326.415 3.271 20 0 EGADLP Cc1[nH+]cc(CN2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1C ZINC001206794408 1371169473 /nfs/dbraw/zinc/16/94/73/1371169473.db2.gz YARSVVVIINRKJF-FQEVSTJZSA-N 2 2 342.462 3.108 20 0 EGADLP Cc1[nH+]cc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)n1C ZINC001206796391 1371170461 /nfs/dbraw/zinc/17/04/61/1371170461.db2.gz YQBPYSWEBOGRBX-UHFFFAOYSA-N 2 2 334.467 3.200 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206809420 1371175848 /nfs/dbraw/zinc/17/58/48/1371175848.db2.gz LPOCCODVCFUKQZ-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206809420 1371175852 /nfs/dbraw/zinc/17/58/52/1371175852.db2.gz LPOCCODVCFUKQZ-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@H]1CN(Cc2[nH+]cc3ccccn32)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001207048929 1371277309 /nfs/dbraw/zinc/27/73/09/1371277309.db2.gz KWNIKMKCIJDGOC-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1CN(Cc2[nH+]cc3ccccn32)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001207048929 1371277312 /nfs/dbraw/zinc/27/73/12/1371277312.db2.gz KWNIKMKCIJDGOC-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP CC[N@H+](C)C1CC[NH+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207320045 1371360798 /nfs/dbraw/zinc/36/07/98/1371360798.db2.gz UOVUKEZBVOIDFT-KRWDZBQOSA-N 2 2 339.524 3.192 20 0 EGADLP CC[N@@H+](C)C1CC[NH+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207320045 1371360800 /nfs/dbraw/zinc/36/08/00/1371360800.db2.gz UOVUKEZBVOIDFT-KRWDZBQOSA-N 2 2 339.524 3.192 20 0 EGADLP c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207435412 1371395907 /nfs/dbraw/zinc/39/59/07/1371395907.db2.gz NZMXXCZKEXTJSF-SFHVURJKSA-N 2 2 343.496 3.183 20 0 EGADLP c1sc(-c2ccccc2)nc1[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207435412 1371395912 /nfs/dbraw/zinc/39/59/12/1371395912.db2.gz NZMXXCZKEXTJSF-SFHVURJKSA-N 2 2 343.496 3.183 20 0 EGADLP COc1ccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207584579 1371443237 /nfs/dbraw/zinc/44/32/37/1371443237.db2.gz KEXYUYWZVGVWPF-IBGZPJMESA-N 2 2 326.440 3.485 20 0 EGADLP COc1ccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207584579 1371443240 /nfs/dbraw/zinc/44/32/40/1371443240.db2.gz KEXYUYWZVGVWPF-IBGZPJMESA-N 2 2 326.440 3.485 20 0 EGADLP c1ccc(CCCC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001207612990 1371452227 /nfs/dbraw/zinc/45/22/27/1371452227.db2.gz FWZOWHKUTPCLSF-SZPZYZBQSA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001207612990 1371452228 /nfs/dbraw/zinc/45/22/28/1371452228.db2.gz FWZOWHKUTPCLSF-SZPZYZBQSA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001207612990 1371452232 /nfs/dbraw/zinc/45/22/32/1371452232.db2.gz FWZOWHKUTPCLSF-SZPZYZBQSA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001207612990 1371452234 /nfs/dbraw/zinc/45/22/34/1371452234.db2.gz FWZOWHKUTPCLSF-SZPZYZBQSA-N 2 2 335.495 3.468 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2F)CC1 ZINC001207745536 1371492750 /nfs/dbraw/zinc/49/27/50/1371492750.db2.gz OTQDBZNHUCKKKW-GOSISDBHSA-N 2 2 348.441 3.109 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207904503 1371533208 /nfs/dbraw/zinc/53/32/08/1371533208.db2.gz GDIWNMQLRHWQRM-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C[C@H](C)c1ccccc1)C2 ZINC001207904503 1371533211 /nfs/dbraw/zinc/53/32/11/1371533211.db2.gz GDIWNMQLRHWQRM-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C[C@H](C)c1ccccc1)C2 ZINC001207904503 1371533213 /nfs/dbraw/zinc/53/32/13/1371533213.db2.gz GDIWNMQLRHWQRM-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C[C@H](C)c1ccccc1)C2 ZINC001207904503 1371533217 /nfs/dbraw/zinc/53/32/17/1371533217.db2.gz GDIWNMQLRHWQRM-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459524 1371583484 /nfs/dbraw/zinc/58/34/84/1371583484.db2.gz MYCIGQLKZKNLPX-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459524 1371583485 /nfs/dbraw/zinc/58/34/85/1371583485.db2.gz MYCIGQLKZKNLPX-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)Nc1ccccc1F ZINC001120496826 1371592813 /nfs/dbraw/zinc/59/28/13/1371592813.db2.gz LGZLUOKKAANKAS-OAHLLOKOSA-N 2 2 333.451 3.151 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)Nc1ccccc1F ZINC001120496826 1371592818 /nfs/dbraw/zinc/59/28/18/1371592818.db2.gz LGZLUOKKAANKAS-OAHLLOKOSA-N 2 2 333.451 3.151 20 0 EGADLP Cc1ccc([C@H](C)CC[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC001208155106 1371612001 /nfs/dbraw/zinc/61/20/01/1371612001.db2.gz IVAGLSMTLCJSEB-CQSZACIVSA-N 2 2 328.460 3.311 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212291 1371893321 /nfs/dbraw/zinc/89/33/21/1371893321.db2.gz IJMNBUFRTMSNPR-PLNGDYQASA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212291 1371893325 /nfs/dbraw/zinc/89/33/25/1371893325.db2.gz IJMNBUFRTMSNPR-PLNGDYQASA-N 2 2 344.503 3.106 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCc1ccccc1Br)C2 ZINC001208848959 1371916901 /nfs/dbraw/zinc/91/69/01/1371916901.db2.gz ZVYGYOIQYZEMIF-NVXWUHKLSA-N 2 2 337.305 3.265 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCCc1ccccc1Br)C2 ZINC001208848959 1371916897 /nfs/dbraw/zinc/91/68/97/1371916897.db2.gz ZVYGYOIQYZEMIF-NVXWUHKLSA-N 2 2 337.305 3.265 20 0 EGADLP CC[C@@H](F)C[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC001121443630 1371976473 /nfs/dbraw/zinc/97/64/73/1371976473.db2.gz OZUTXYXYTNGTBI-UEBDJUODSA-N 2 2 347.478 3.386 20 0 EGADLP COCC[N@H+](CCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001209128187 1372007075 /nfs/dbraw/zinc/00/70/75/1372007075.db2.gz GRCFFAFHYFSSPF-UHFFFAOYSA-N 2 2 344.421 3.291 20 0 EGADLP COCC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001209128187 1372007077 /nfs/dbraw/zinc/00/70/77/1372007077.db2.gz GRCFFAFHYFSSPF-UHFFFAOYSA-N 2 2 344.421 3.291 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CC2Cc4ccccc4C2)C3)c1 ZINC001209321591 1372068820 /nfs/dbraw/zinc/06/88/20/1372068820.db2.gz XEISDQDVDHCHFY-KDURUIRLSA-N 2 2 336.479 3.448 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CC2Cc4ccccc4C2)C3)c1 ZINC001209321591 1372068827 /nfs/dbraw/zinc/06/88/27/1372068827.db2.gz XEISDQDVDHCHFY-KDURUIRLSA-N 2 2 336.479 3.448 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CC4Cc5ccccc5C4)C3)C2)c1 ZINC001209321591 1372068831 /nfs/dbraw/zinc/06/88/31/1372068831.db2.gz XEISDQDVDHCHFY-KDURUIRLSA-N 2 2 336.479 3.448 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CC4Cc5ccccc5C4)C3)C2)c1 ZINC001209321591 1372068834 /nfs/dbraw/zinc/06/88/34/1372068834.db2.gz XEISDQDVDHCHFY-KDURUIRLSA-N 2 2 336.479 3.448 20 0 EGADLP CCOC(=O)CCCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209354305 1372075527 /nfs/dbraw/zinc/07/55/27/1372075527.db2.gz JHDDVQYBKZMBTH-QGZVFWFLSA-N 2 2 334.460 3.357 20 0 EGADLP CCOC(=O)CCCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209354305 1372075531 /nfs/dbraw/zinc/07/55/31/1372075531.db2.gz JHDDVQYBKZMBTH-QGZVFWFLSA-N 2 2 334.460 3.357 20 0 EGADLP C[C@@H]1CC(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378655 1372082809 /nfs/dbraw/zinc/08/28/09/1372082809.db2.gz DVXOYWHEBOGZKL-XYVMCAHJSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1CC(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378655 1372082813 /nfs/dbraw/zinc/08/28/13/1372082813.db2.gz DVXOYWHEBOGZKL-XYVMCAHJSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1CC(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378655 1372082817 /nfs/dbraw/zinc/08/28/17/1372082817.db2.gz DVXOYWHEBOGZKL-XYVMCAHJSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1CC(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378655 1372082820 /nfs/dbraw/zinc/08/28/20/1372082820.db2.gz DVXOYWHEBOGZKL-XYVMCAHJSA-N 2 2 349.544 3.243 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001209483925 1372117462 /nfs/dbraw/zinc/11/74/62/1372117462.db2.gz CFGXMNZRAUTYQQ-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(F)c1O ZINC001209532456 1372129669 /nfs/dbraw/zinc/12/96/69/1372129669.db2.gz HEZAQXURTOVAJK-INIZCTEOSA-N 2 2 336.451 3.380 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(F)c1O ZINC001209532456 1372129672 /nfs/dbraw/zinc/12/96/72/1372129672.db2.gz HEZAQXURTOVAJK-INIZCTEOSA-N 2 2 336.451 3.380 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncs3)C[C@H]21 ZINC001209549456 1372133619 /nfs/dbraw/zinc/13/36/19/1372133619.db2.gz USICJKNUXTWPJM-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncs3)C[C@H]21 ZINC001209549456 1372133621 /nfs/dbraw/zinc/13/36/21/1372133621.db2.gz USICJKNUXTWPJM-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC001209549456 1372133627 /nfs/dbraw/zinc/13/36/27/1372133627.db2.gz USICJKNUXTWPJM-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC001209549456 1372133632 /nfs/dbraw/zinc/13/36/32/1372133632.db2.gz USICJKNUXTWPJM-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001209822380 1372208329 /nfs/dbraw/zinc/20/83/29/1372208329.db2.gz VEMKVTQHPWFHPL-IBGZPJMESA-N 2 2 340.471 3.238 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209849281 1372212779 /nfs/dbraw/zinc/21/27/79/1372212779.db2.gz ZZXMHHLUELOSPT-UHFFFAOYSA-N 2 2 337.427 3.067 20 0 EGADLP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001211991737 1372644592 /nfs/dbraw/zinc/64/45/92/1372644592.db2.gz KSRNAWUKZNZBJT-SFHVURJKSA-N 2 2 340.471 3.238 20 0 EGADLP [NH3+]CCc1ccc(Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1 ZINC001212214914 1372672521 /nfs/dbraw/zinc/67/25/21/1372672521.db2.gz CBLWTHJSZNKYID-UHFFFAOYSA-N 2 2 345.406 3.014 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3ccc(-n4cc[nH+]c4)cc3)c2)CC1 ZINC001212713717 1372759741 /nfs/dbraw/zinc/75/97/41/1372759741.db2.gz DFIUHKNXANESPF-UHFFFAOYSA-N 2 2 333.439 3.368 20 0 EGADLP Cc1ccc2c(Nc3ccc(N4CC[NH+](C)CC4)cn3)cccc2[nH+]1 ZINC001212794430 1372773612 /nfs/dbraw/zinc/77/36/12/1372773612.db2.gz ZFSTZGDCOOCZJB-UHFFFAOYSA-N 2 2 333.439 3.434 20 0 EGADLP C[NH+](C)CCOc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001212806141 1372776692 /nfs/dbraw/zinc/77/66/92/1372776692.db2.gz OFNRHWVMNYTSJA-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP C[NH+](C)CCOc1cccc(Nc2[nH+]cccc2N2CCCC2)c1 ZINC001212806110 1372776707 /nfs/dbraw/zinc/77/67/07/1372776707.db2.gz MYCSDTBKBFCFKL-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1cccc(C(C)C)[nH+]1 ZINC001213887243 1372973970 /nfs/dbraw/zinc/97/39/70/1372973970.db2.gz XFBSIQGJDLIQDT-UHFFFAOYSA-N 2 2 326.444 3.367 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916508 1373141681 /nfs/dbraw/zinc/14/16/81/1373141681.db2.gz FIWAZIORJHGGKR-YSNLUETFSA-N 2 2 346.519 3.263 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132355 1373175555 /nfs/dbraw/zinc/17/55/55/1373175555.db2.gz BWLBPTCCSWUPRY-SDKBWNRFSA-N 2 2 340.471 3.131 20 0 EGADLP Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(N(C)C)[nH+]1 ZINC001216090518 1373261183 /nfs/dbraw/zinc/26/11/83/1373261183.db2.gz RVLKMFGFXUYELS-WMLDXEAASA-N 2 2 347.507 3.040 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001216397144 1373305897 /nfs/dbraw/zinc/30/58/97/1373305897.db2.gz MRAKINNRUNRJDB-NVXWUHKLSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc2c(c1)CCC2 ZINC001130269049 1373481883 /nfs/dbraw/zinc/48/18/83/1373481883.db2.gz VZEOIPOOUDJLBZ-CQSZACIVSA-N 2 2 348.450 3.132 20 0 EGADLP [NH3+][C@H](CC(=O)Nc1cccc2[nH+]ccn21)Cc1ccc2ccccc2c1 ZINC001218497956 1373626979 /nfs/dbraw/zinc/62/69/79/1373626979.db2.gz BUHJDHXOVPOVGG-SFHVURJKSA-N 2 2 344.418 3.386 20 0 EGADLP Cc1nc2cc(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)c(C)cc2s1 ZINC001219105668 1373687469 /nfs/dbraw/zinc/68/74/69/1373687469.db2.gz PWEXCOYYIJRANI-AWEZNQCLSA-N 2 2 340.452 3.124 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc3c(Cl)ccnc23)cc1 ZINC001219117219 1373688501 /nfs/dbraw/zinc/68/85/01/1373688501.db2.gz ZIGKAASOVDSKJX-OAHLLOKOSA-N 2 2 340.814 3.099 20 0 EGADLP CC(C)c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(C(F)(F)F)c1 ZINC001219266360 1373697404 /nfs/dbraw/zinc/69/74/04/1373697404.db2.gz GSSSVKQNBLOTFP-ZDUSSCGKSA-N 2 2 340.349 3.060 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc(Cl)c2)c(C)[nH+]1 ZINC001131560278 1373721596 /nfs/dbraw/zinc/72/15/96/1373721596.db2.gz GPEQOLMYVOWLHW-UHFFFAOYSA-N 2 2 331.847 3.180 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222395877 1373834836 /nfs/dbraw/zinc/83/48/36/1373834836.db2.gz NKQOKRSKWZETNI-FQEVSTJZSA-N 2 2 341.455 3.063 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222395877 1373834845 /nfs/dbraw/zinc/83/48/45/1373834845.db2.gz NKQOKRSKWZETNI-FQEVSTJZSA-N 2 2 341.455 3.063 20 0 EGADLP CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132124826 1375159004 /nfs/dbraw/zinc/15/90/04/1375159004.db2.gz QCXOLXWHNLONGE-QZTJIDSGSA-N 2 2 348.535 3.476 20 0 EGADLP CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132124826 1375159010 /nfs/dbraw/zinc/15/90/10/1375159010.db2.gz QCXOLXWHNLONGE-QZTJIDSGSA-N 2 2 348.535 3.476 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132221087 1375217923 /nfs/dbraw/zinc/21/79/23/1375217923.db2.gz BTZKEWGCCQJNDJ-IRXDYDNUSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132221087 1375217929 /nfs/dbraw/zinc/21/79/29/1375217929.db2.gz BTZKEWGCCQJNDJ-IRXDYDNUSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696814 1375311610 /nfs/dbraw/zinc/31/16/10/1375311610.db2.gz OHLCFCKHOZJQQR-KBAYOESNSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696814 1375311618 /nfs/dbraw/zinc/31/16/18/1375311618.db2.gz OHLCFCKHOZJQQR-KBAYOESNSA-N 2 2 334.508 3.042 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CCCCC1 ZINC001132528668 1375442875 /nfs/dbraw/zinc/44/28/75/1375442875.db2.gz FFKQIOABMPYUKD-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CCCCC1 ZINC001132528668 1375442879 /nfs/dbraw/zinc/44/28/79/1375442879.db2.gz FFKQIOABMPYUKD-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919322 1375643994 /nfs/dbraw/zinc/64/39/94/1375643994.db2.gz IIZWKZWTAQAFPU-WBVHZDCISA-N 2 2 340.471 3.217 20 0 EGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132921548 1375646438 /nfs/dbraw/zinc/64/64/38/1375646438.db2.gz ZUKBDNYQEQFPCA-GOEBONIOSA-N 2 2 328.460 3.051 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(Br)ncc12 ZINC001232863111 1376525630 /nfs/dbraw/zinc/52/56/30/1376525630.db2.gz NXEQHKAQRHYSOX-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(Br)ncc12 ZINC001232863111 1376525633 /nfs/dbraw/zinc/52/56/33/1376525633.db2.gz NXEQHKAQRHYSOX-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2[nH]nc3cc(F)ccc32)CC1 ZINC001233121635 1376574618 /nfs/dbraw/zinc/57/46/18/1376574618.db2.gz RYDWAOKPIJJHGC-UHFFFAOYSA-N 2 2 339.418 3.144 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2n[nH]c3cc(F)ccc32)CC1 ZINC001233121635 1376574622 /nfs/dbraw/zinc/57/46/22/1376574622.db2.gz RYDWAOKPIJJHGC-UHFFFAOYSA-N 2 2 339.418 3.144 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544370 1376584398 /nfs/dbraw/zinc/58/43/98/1376584398.db2.gz GGRKBBCSKNIEKX-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544370 1376584404 /nfs/dbraw/zinc/58/44/04/1376584404.db2.gz GGRKBBCSKNIEKX-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544310 1376584412 /nfs/dbraw/zinc/58/44/12/1376584412.db2.gz FNWFHJGAKPRFOJ-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544310 1376584416 /nfs/dbraw/zinc/58/44/16/1376584416.db2.gz FNWFHJGAKPRFOJ-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544338 1376584456 /nfs/dbraw/zinc/58/44/56/1376584456.db2.gz FUHFSCPMBWGBPL-JKSUJKDBSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544338 1376584462 /nfs/dbraw/zinc/58/44/62/1376584462.db2.gz FUHFSCPMBWGBPL-JKSUJKDBSA-N 2 2 332.492 3.106 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545038 1376585188 /nfs/dbraw/zinc/58/51/88/1376585188.db2.gz KRHXIVREPBACLD-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545038 1376585192 /nfs/dbraw/zinc/58/51/92/1376585192.db2.gz KRHXIVREPBACLD-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnn5ccccc45)C[C@@H]3C2)cc1 ZINC001233237660 1376597504 /nfs/dbraw/zinc/59/75/04/1376597504.db2.gz VICUXEYCDKMTIV-SFTDATJTSA-N 2 2 346.478 3.207 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739924 1376690229 /nfs/dbraw/zinc/69/02/29/1376690229.db2.gz LUBBYFRNROSXHM-KGLIPLIRSA-N 2 2 330.476 3.486 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011187 1376752746 /nfs/dbraw/zinc/75/27/46/1376752746.db2.gz JAUJDTSYLLGQGU-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011187 1376752754 /nfs/dbraw/zinc/75/27/54/1376752754.db2.gz JAUJDTSYLLGQGU-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCC1 ZINC001134963830 1376814499 /nfs/dbraw/zinc/81/44/99/1376814499.db2.gz AZMFLMCKYUQJRQ-CABCVRRESA-N 2 2 328.460 3.011 20 0 EGADLP CC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235020695 1376829177 /nfs/dbraw/zinc/82/91/77/1376829177.db2.gz QAUCLWJAASFWRV-UHFFFAOYSA-N 2 2 338.249 3.103 20 0 EGADLP CC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235020695 1376829182 /nfs/dbraw/zinc/82/91/82/1376829182.db2.gz QAUCLWJAASFWRV-UHFFFAOYSA-N 2 2 338.249 3.103 20 0 EGADLP CC(C)(C)c1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc(C(C)(C)C)c1 ZINC001235051696 1376843638 /nfs/dbraw/zinc/84/36/38/1376843638.db2.gz BMHSXIMMWQNEHF-QFIPXVFZSA-N 2 2 343.559 3.419 20 0 EGADLP CC(C)(C)c1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc(C(C)(C)C)c1 ZINC001235051696 1376843640 /nfs/dbraw/zinc/84/36/40/1376843640.db2.gz BMHSXIMMWQNEHF-QFIPXVFZSA-N 2 2 343.559 3.419 20 0 EGADLP Clc1ccccc1-c1ccccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054595 1376843724 /nfs/dbraw/zinc/84/37/24/1376843724.db2.gz PXCCVDIVKJPBCR-HXUWFJFHSA-N 2 2 341.886 3.144 20 0 EGADLP Clc1ccccc1-c1ccccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054595 1376843725 /nfs/dbraw/zinc/84/37/25/1376843725.db2.gz PXCCVDIVKJPBCR-HXUWFJFHSA-N 2 2 341.886 3.144 20 0 EGADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115836 1376848888 /nfs/dbraw/zinc/84/88/88/1376848888.db2.gz RZOBAUSVMMLBRV-MJGOQNOKSA-N 2 2 326.525 3.062 20 0 EGADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115836 1376848893 /nfs/dbraw/zinc/84/88/93/1376848893.db2.gz RZOBAUSVMMLBRV-MJGOQNOKSA-N 2 2 326.525 3.062 20 0 EGADLP Fc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OCc1ccccc1 ZINC001235189873 1376856423 /nfs/dbraw/zinc/85/64/23/1376856423.db2.gz GFNMDQWJNYKZOI-MJGOQNOKSA-N 2 2 340.442 3.446 20 0 EGADLP Fc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OCc1ccccc1 ZINC001235189873 1376856427 /nfs/dbraw/zinc/85/64/27/1376856427.db2.gz GFNMDQWJNYKZOI-MJGOQNOKSA-N 2 2 340.442 3.446 20 0 EGADLP COCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043777 1376865423 /nfs/dbraw/zinc/86/54/23/1376865423.db2.gz LKQJVCQLKSYOPG-NVXWUHKLSA-N 2 2 349.519 3.310 20 0 EGADLP Clc1ccc([C@@H]2C[NH2+]CCN2Cc2cccn3cc[nH+]c23)cc1 ZINC001235817087 1376899080 /nfs/dbraw/zinc/89/90/80/1376899080.db2.gz WFIBUMFQFDYSOH-KRWDZBQOSA-N 2 2 326.831 3.134 20 0 EGADLP CC[C@@H]([NH3+])C[NH+]1CCC2(COc3ccc(C(F)(F)F)cc32)CC1 ZINC001236006296 1376925003 /nfs/dbraw/zinc/92/50/03/1376925003.db2.gz QMTIYPAPXRIJRS-CYBMUJFWSA-N 2 2 328.378 3.169 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001236182933 1376939813 /nfs/dbraw/zinc/93/98/13/1376939813.db2.gz AVPXNEDUJCICCL-FYYLOGMGSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001236182933 1376939821 /nfs/dbraw/zinc/93/98/21/1376939821.db2.gz AVPXNEDUJCICCL-FYYLOGMGSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)C[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001236182933 1376939824 /nfs/dbraw/zinc/93/98/24/1376939824.db2.gz AVPXNEDUJCICCL-FYYLOGMGSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)C[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001236182933 1376939826 /nfs/dbraw/zinc/93/98/26/1376939826.db2.gz AVPXNEDUJCICCL-FYYLOGMGSA-N 3 2 347.506 3.244 20 0 EGADLP COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(OCC[NH+](C)C)cc1 ZINC001242153205 1377022709 /nfs/dbraw/zinc/02/27/09/1377022709.db2.gz TWLIOYUWFAQIRC-UHFFFAOYSA-N 2 2 337.423 3.488 20 0 EGADLP CCCC[C@H]1C[C@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383000 1377051588 /nfs/dbraw/zinc/05/15/88/1377051588.db2.gz GVSPJFAVJFBNFN-DLBZAZTESA-N 2 2 332.492 3.056 20 0 EGADLP CC[NH+](CC)CC[C@H](C)[NH2+]C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001246381949 1377051617 /nfs/dbraw/zinc/05/16/17/1377051617.db2.gz VGQWYIDUJSDHPF-KRWDZBQOSA-N 3 2 335.511 3.200 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246380960 1377051658 /nfs/dbraw/zinc/05/16/58/1377051658.db2.gz LJQNZPRBXUHCTD-BWTSREIZSA-N 3 2 347.522 3.389 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817972 1377070301 /nfs/dbraw/zinc/07/03/01/1377070301.db2.gz RYNKBQVCPKDMJI-QGZVFWFLSA-N 2 2 345.462 3.382 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817972 1377070304 /nfs/dbraw/zinc/07/03/04/1377070304.db2.gz RYNKBQVCPKDMJI-QGZVFWFLSA-N 2 2 345.462 3.382 20 0 EGADLP CCc1ccc(-c2nnc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)o2)cc1 ZINC001253013121 1377094560 /nfs/dbraw/zinc/09/45/60/1377094560.db2.gz FCDXXGGJYQXPIG-UHFFFAOYSA-N 2 2 349.438 3.113 20 0 EGADLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106387 /nfs/dbraw/zinc/10/63/87/1377106387.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@H]([NH+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106388 /nfs/dbraw/zinc/10/63/88/1377106388.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106392 /nfs/dbraw/zinc/10/63/92/1377106392.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526679 1377106397 /nfs/dbraw/zinc/10/63/97/1377106397.db2.gz STROCVWABRHPKW-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135678772 1377181279 /nfs/dbraw/zinc/18/12/79/1377181279.db2.gz IIDOHVPZBBKHTG-DLBZAZTESA-N 2 2 344.503 3.248 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799791 1377214689 /nfs/dbraw/zinc/21/46/89/1377214689.db2.gz XRVZBHFJOOQZAG-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP CCCC[NH+]1CCC(N(CCC)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001266388458 1377302459 /nfs/dbraw/zinc/30/24/59/1377302459.db2.gz FAVCNMNULFKQIV-UHFFFAOYSA-N 2 2 342.487 3.451 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136057069 1377316721 /nfs/dbraw/zinc/31/67/21/1377316721.db2.gz WDQURFGEPWKSJT-IRXDYDNUSA-N 2 2 348.535 3.196 20 0 EGADLP CC(=O)Oc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001138045040 1377670305 /nfs/dbraw/zinc/67/03/05/1377670305.db2.gz FCGRVCCBBKTSBA-UHFFFAOYSA-N 2 2 335.407 3.430 20 0 EGADLP CC(=O)Oc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001138045040 1377670307 /nfs/dbraw/zinc/67/03/07/1377670307.db2.gz FCGRVCCBBKTSBA-UHFFFAOYSA-N 2 2 335.407 3.430 20 0 EGADLP CCOc1cccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1 ZINC001138102384 1377677125 /nfs/dbraw/zinc/67/71/25/1377677125.db2.gz JJHJVGUFJKABOG-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP Oc1cc(O)cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332720 1377703352 /nfs/dbraw/zinc/70/33/52/1377703352.db2.gz HRLUSMPAKWWCOD-OALUTQOASA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332720 1377703358 /nfs/dbraw/zinc/70/33/58/1377703358.db2.gz HRLUSMPAKWWCOD-OALUTQOASA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332720 1377703365 /nfs/dbraw/zinc/70/33/65/1377703365.db2.gz HRLUSMPAKWWCOD-OALUTQOASA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332720 1377703370 /nfs/dbraw/zinc/70/33/70/1377703370.db2.gz HRLUSMPAKWWCOD-OALUTQOASA-N 2 2 338.451 3.052 20 0 EGADLP COCC[N@H+](Cc1ccccc1N1CCCCC1)C1CC[NH+](C)CC1 ZINC001138605703 1377751570 /nfs/dbraw/zinc/75/15/70/1377751570.db2.gz RECRLXWMYDBURO-UHFFFAOYSA-N 2 2 345.531 3.220 20 0 EGADLP COCC[N@@H+](Cc1ccccc1N1CCCCC1)C1CC[NH+](C)CC1 ZINC001138605703 1377751571 /nfs/dbraw/zinc/75/15/71/1377751571.db2.gz RECRLXWMYDBURO-UHFFFAOYSA-N 2 2 345.531 3.220 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2C1 ZINC001138624214 1377756102 /nfs/dbraw/zinc/75/61/02/1377756102.db2.gz YINMRGIGSORTOV-QZTJIDSGSA-N 2 2 338.455 3.043 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnc5ccccc5n4)C[C@H]3C2)cc1 ZINC001138866482 1377797458 /nfs/dbraw/zinc/79/74/58/1377797458.db2.gz IHJQPQLTBGXKIO-RTBURBONSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2c(c1)CCC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139061407 1377823011 /nfs/dbraw/zinc/82/30/11/1377823011.db2.gz DGJNQTMPCVXAGR-UHFFFAOYSA-N 2 2 336.479 3.467 20 0 EGADLP c1ccc2c(c1)CCC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139061407 1377823014 /nfs/dbraw/zinc/82/30/14/1377823014.db2.gz DGJNQTMPCVXAGR-UHFFFAOYSA-N 2 2 336.479 3.467 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001139061227 1377823397 /nfs/dbraw/zinc/82/33/97/1377823397.db2.gz NGXLWQLPMNSCJS-RTBURBONSA-N 2 2 333.435 3.392 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c21 ZINC001139196112 1377849290 /nfs/dbraw/zinc/84/92/90/1377849290.db2.gz ZSUDWUXXWKBHNY-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@]1(O)C(F)(F)F ZINC001139356800 1377873996 /nfs/dbraw/zinc/87/39/96/1377873996.db2.gz TWWPZSADVSHKKB-CZUORRHYSA-N 2 2 339.361 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@]1(O)C(F)(F)F ZINC001139356800 1377873999 /nfs/dbraw/zinc/87/39/99/1377873999.db2.gz TWWPZSADVSHKKB-CZUORRHYSA-N 2 2 339.361 3.008 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4ccc(Br)cc4[nH]3)C[C@H]2C1 ZINC001139475619 1377891421 /nfs/dbraw/zinc/89/14/21/1377891421.db2.gz GZFOSMSADIVAQN-ZIAGYGMSSA-N 2 2 348.288 3.314 20 0 EGADLP c1ccc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001139996537 1377989301 /nfs/dbraw/zinc/98/93/01/1377989301.db2.gz JLJZZWSMRYAIEN-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP CCOC(=O)C1(F)CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140024442 1377991932 /nfs/dbraw/zinc/99/19/32/1377991932.db2.gz CTBCNRVHRNKJDJ-UHFFFAOYSA-N 2 2 345.418 3.048 20 0 EGADLP CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140029675 1377993330 /nfs/dbraw/zinc/99/33/30/1377993330.db2.gz PQKRHBDQEGPDDK-GOSISDBHSA-N 2 2 341.455 3.346 20 0 EGADLP CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140029675 1377993332 /nfs/dbraw/zinc/99/33/32/1377993332.db2.gz PQKRHBDQEGPDDK-GOSISDBHSA-N 2 2 341.455 3.346 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@@H]3C2)c1 ZINC001140385285 1378055201 /nfs/dbraw/zinc/05/52/01/1378055201.db2.gz ASOQHASCGCNYTP-IAGOWNOFSA-N 2 2 338.480 3.188 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001140525194 1378077538 /nfs/dbraw/zinc/07/75/38/1378077538.db2.gz VROAXQVBRWYJLL-UHFFFAOYSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)s1 ZINC001140525194 1378077541 /nfs/dbraw/zinc/07/75/41/1378077541.db2.gz VROAXQVBRWYJLL-UHFFFAOYSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001140523888 1378077571 /nfs/dbraw/zinc/07/75/71/1378077571.db2.gz FSGKHWCBJNIVNA-GJZGRUSLSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001140523888 1378077574 /nfs/dbraw/zinc/07/75/74/1378077574.db2.gz FSGKHWCBJNIVNA-GJZGRUSLSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001140523888 1378077576 /nfs/dbraw/zinc/07/75/76/1378077576.db2.gz FSGKHWCBJNIVNA-GJZGRUSLSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)s1 ZINC001140523888 1378077577 /nfs/dbraw/zinc/07/75/77/1378077577.db2.gz FSGKHWCBJNIVNA-GJZGRUSLSA-N 2 2 336.501 3.374 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140783054 1378134841 /nfs/dbraw/zinc/13/48/41/1378134841.db2.gz HYPUDISCIKKMKC-QZTJIDSGSA-N 2 2 333.435 3.392 20 0 EGADLP Cc1cc(Br)c(F)cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001140791399 1378137297 /nfs/dbraw/zinc/13/72/97/1378137297.db2.gz JSZGLYFDAIMYIR-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140791399 1378137299 /nfs/dbraw/zinc/13/72/99/1378137299.db2.gz JSZGLYFDAIMYIR-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(Br)c(F)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001140791399 1378137295 /nfs/dbraw/zinc/13/72/95/1378137295.db2.gz JSZGLYFDAIMYIR-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166427 1378137274 /nfs/dbraw/zinc/13/72/74/1378137274.db2.gz VYDCZXGNVRKMIS-INIZCTEOSA-N 2 2 344.425 3.430 20 0 EGADLP FC(F)(F)CCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166427 1378137275 /nfs/dbraw/zinc/13/72/75/1378137275.db2.gz VYDCZXGNVRKMIS-INIZCTEOSA-N 2 2 344.425 3.430 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166427 1378137278 /nfs/dbraw/zinc/13/72/78/1378137278.db2.gz VYDCZXGNVRKMIS-INIZCTEOSA-N 2 2 344.425 3.430 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166427 1378137280 /nfs/dbraw/zinc/13/72/80/1378137280.db2.gz VYDCZXGNVRKMIS-INIZCTEOSA-N 2 2 344.425 3.430 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001140791399 1378137302 /nfs/dbraw/zinc/13/73/02/1378137302.db2.gz JSZGLYFDAIMYIR-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802257 1378140721 /nfs/dbraw/zinc/14/07/21/1378140721.db2.gz SJCGBROGUNJMSJ-CQSZACIVSA-N 2 2 344.459 3.252 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802257 1378140723 /nfs/dbraw/zinc/14/07/23/1378140723.db2.gz SJCGBROGUNJMSJ-CQSZACIVSA-N 2 2 344.459 3.252 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C(=O)OC(C)(C)C ZINC001140801800 1378141088 /nfs/dbraw/zinc/14/10/88/1378141088.db2.gz GBLMTVSTFSCBPZ-CQSZACIVSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C(=O)OC(C)(C)C ZINC001140801800 1378141090 /nfs/dbraw/zinc/14/10/90/1378141090.db2.gz GBLMTVSTFSCBPZ-CQSZACIVSA-N 2 2 344.459 3.394 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906315 1378251825 /nfs/dbraw/zinc/25/18/25/1378251825.db2.gz YAFRNYGFEFZQGA-UXHICEINSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906315 1378251832 /nfs/dbraw/zinc/25/18/32/1378251832.db2.gz YAFRNYGFEFZQGA-UXHICEINSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCNC(C)=O)C2 ZINC001277906315 1378251839 /nfs/dbraw/zinc/25/18/39/1378251839.db2.gz YAFRNYGFEFZQGA-UXHICEINSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCNC(C)=O)C2 ZINC001277906315 1378251843 /nfs/dbraw/zinc/25/18/43/1378251843.db2.gz YAFRNYGFEFZQGA-UXHICEINSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906313 1378251939 /nfs/dbraw/zinc/25/19/39/1378251939.db2.gz YAFRNYGFEFZQGA-PMACEKPBSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906313 1378251941 /nfs/dbraw/zinc/25/19/41/1378251941.db2.gz YAFRNYGFEFZQGA-PMACEKPBSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCNC(C)=O)C2 ZINC001277906313 1378251946 /nfs/dbraw/zinc/25/19/46/1378251946.db2.gz YAFRNYGFEFZQGA-PMACEKPBSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCNC(C)=O)C2 ZINC001277906313 1378251949 /nfs/dbraw/zinc/25/19/49/1378251949.db2.gz YAFRNYGFEFZQGA-PMACEKPBSA-N 2 2 337.552 3.127 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](CCCCF)C3)C2)[nH]1 ZINC001278205177 1378262446 /nfs/dbraw/zinc/26/24/46/1378262446.db2.gz CEAYSIBOCUXVAN-IBGZPJMESA-N 2 2 335.467 3.215 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](CCCCF)C3)C2)[nH]1 ZINC001278205177 1378262451 /nfs/dbraw/zinc/26/24/51/1378262451.db2.gz CEAYSIBOCUXVAN-IBGZPJMESA-N 2 2 335.467 3.215 20 0 EGADLP O=c1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](CCCCF)C3)C2)[nH]1 ZINC001278205177 1378262455 /nfs/dbraw/zinc/26/24/55/1378262455.db2.gz CEAYSIBOCUXVAN-IBGZPJMESA-N 2 2 335.467 3.215 20 0 EGADLP O=c1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](CCCCF)C3)C2)[nH]1 ZINC001278205177 1378262457 /nfs/dbraw/zinc/26/24/57/1378262457.db2.gz CEAYSIBOCUXVAN-IBGZPJMESA-N 2 2 335.467 3.215 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc(OC4CCOCC4)cc3)CC2)c[nH+]1 ZINC001141414323 1378320459 /nfs/dbraw/zinc/32/04/59/1378320459.db2.gz BVNCDXZXGNQYAX-UHFFFAOYSA-N 2 2 341.455 3.278 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(C(F)(F)F)nn2)C2CCCC2)CC1 ZINC001141503298 1378335600 /nfs/dbraw/zinc/33/56/00/1378335600.db2.gz SHBXRIWTYUUERL-UHFFFAOYSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(C(F)(F)F)nn2)C2CCCC2)CC1 ZINC001141503298 1378335601 /nfs/dbraw/zinc/33/56/01/1378335601.db2.gz SHBXRIWTYUUERL-UHFFFAOYSA-N 2 2 342.409 3.334 20 0 EGADLP c1cn(CCN2CCC23C[NH+](CCc2cccc4ccccc42)C3)c[nH+]1 ZINC001280216383 1378335932 /nfs/dbraw/zinc/33/59/32/1378335932.db2.gz RTRIONZSQJJVFZ-UHFFFAOYSA-N 2 2 346.478 3.039 20 0 EGADLP Cc1ccc(-c2ccc(C[NH+]3CC(N4CC[NH+](C)CC4)C3)cc2)cc1 ZINC001142309728 1378432950 /nfs/dbraw/zinc/43/29/50/1378432950.db2.gz KCSWVXDLULARDR-UHFFFAOYSA-N 2 2 335.495 3.094 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc2[nH+]1 ZINC001143035187 1378530731 /nfs/dbraw/zinc/53/07/31/1378530731.db2.gz GVIRNBJVNQRJNV-WOJBJXKFSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2[nH+]1 ZINC001143035187 1378530732 /nfs/dbraw/zinc/53/07/32/1378530732.db2.gz GVIRNBJVNQRJNV-WOJBJXKFSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH+]1 ZINC001143033868 1378530815 /nfs/dbraw/zinc/53/08/15/1378530815.db2.gz LOFNSRYGVSLIPS-NHCUHLMSSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH+]1 ZINC001143033868 1378530818 /nfs/dbraw/zinc/53/08/18/1378530818.db2.gz LOFNSRYGVSLIPS-NHCUHLMSSA-N 2 2 346.478 3.288 20 0 EGADLP COc1c(F)ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1F ZINC001143314522 1378578763 /nfs/dbraw/zinc/57/87/63/1378578763.db2.gz QBKCBKWBNDTPHC-UHFFFAOYSA-N 2 2 347.409 3.416 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143352035 1378585099 /nfs/dbraw/zinc/58/50/99/1378585099.db2.gz GHYSLCOAKBBITF-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143352035 1378585102 /nfs/dbraw/zinc/58/51/02/1378585102.db2.gz GHYSLCOAKBBITF-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143352035 1378585105 /nfs/dbraw/zinc/58/51/05/1378585105.db2.gz GHYSLCOAKBBITF-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143352035 1378585108 /nfs/dbraw/zinc/58/51/08/1378585108.db2.gz GHYSLCOAKBBITF-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP CCOc1c(Cl)ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001143825718 1378651154 /nfs/dbraw/zinc/65/11/54/1378651154.db2.gz WCRNZGLJHBQRGQ-OCCSQVGLSA-N 2 2 326.843 3.261 20 0 EGADLP CCOc1c(Cl)ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c1F ZINC001143825718 1378651155 /nfs/dbraw/zinc/65/11/55/1378651155.db2.gz WCRNZGLJHBQRGQ-OCCSQVGLSA-N 2 2 326.843 3.261 20 0 EGADLP CCOc1c(Cl)ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c1F ZINC001143825718 1378651156 /nfs/dbraw/zinc/65/11/56/1378651156.db2.gz WCRNZGLJHBQRGQ-OCCSQVGLSA-N 2 2 326.843 3.261 20 0 EGADLP CCOc1c(Cl)ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c1F ZINC001143825718 1378651157 /nfs/dbraw/zinc/65/11/57/1378651157.db2.gz WCRNZGLJHBQRGQ-OCCSQVGLSA-N 2 2 326.843 3.261 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC001146474089 1378846792 /nfs/dbraw/zinc/84/67/92/1378846792.db2.gz RBSFXUGWMALGBD-KRWDZBQOSA-N 2 2 348.450 3.261 20 0 EGADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001327667990 1388576377 /nfs/dbraw/zinc/57/63/77/1388576377.db2.gz IXXUYLLTQANPMU-HNNXBMFYSA-N 2 2 326.843 3.212 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146773408 1378915656 /nfs/dbraw/zinc/91/56/56/1378915656.db2.gz ZGCDBTTZZARJON-DLBZAZTESA-N 2 2 342.487 3.080 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766797 1379075602 /nfs/dbraw/zinc/07/56/02/1379075602.db2.gz HPXWSFBBQNJCED-ZWKOTPCHSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766797 1379075606 /nfs/dbraw/zinc/07/56/06/1379075606.db2.gz HPXWSFBBQNJCED-ZWKOTPCHSA-N 2 2 346.519 3.051 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005016 1380176010 /nfs/dbraw/zinc/17/60/10/1380176010.db2.gz VDBANLWNEQUINH-KBOKABMXSA-N 2 2 347.503 3.206 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005016 1380176015 /nfs/dbraw/zinc/17/60/15/1380176015.db2.gz VDBANLWNEQUINH-KBOKABMXSA-N 2 2 347.503 3.206 20 0 EGADLP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015974 1380181211 /nfs/dbraw/zinc/18/12/11/1380181211.db2.gz ZVRIXUGPPIVTNT-CYBMUJFWSA-N 2 2 342.468 3.265 20 0 EGADLP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015974 1380181213 /nfs/dbraw/zinc/18/12/13/1380181213.db2.gz ZVRIXUGPPIVTNT-CYBMUJFWSA-N 2 2 342.468 3.265 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154529170 1380298803 /nfs/dbraw/zinc/29/88/03/1380298803.db2.gz ZSXLLUACDPGSEN-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154529170 1380298807 /nfs/dbraw/zinc/29/88/07/1380298807.db2.gz ZSXLLUACDPGSEN-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP COc1cc2[nH+]c(C)nc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2cc1OC ZINC001155026448 1380393982 /nfs/dbraw/zinc/39/39/82/1380393982.db2.gz TZQWFKPRLZPIOI-JSGCOSHPSA-N 2 2 344.459 3.003 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189441 1380422100 /nfs/dbraw/zinc/42/21/00/1380422100.db2.gz NMYNBWMLUXOIPB-GDBMZVCRSA-N 2 2 334.508 3.092 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189441 1380422101 /nfs/dbraw/zinc/42/21/01/1380422101.db2.gz NMYNBWMLUXOIPB-GDBMZVCRSA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521172 1380464038 /nfs/dbraw/zinc/46/40/38/1380464038.db2.gz GODBZBNAADCYNC-IAGOWNOFSA-N 2 2 336.524 3.487 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521172 1380464040 /nfs/dbraw/zinc/46/40/40/1380464040.db2.gz GODBZBNAADCYNC-IAGOWNOFSA-N 2 2 336.524 3.487 20 0 EGADLP [NH2+]=C(Nc1nc(Cl)nc2c1C[NH2+]CC2)C12CC3CC(CC(C3)C1)C2 ZINC001155956541 1380507866 /nfs/dbraw/zinc/50/78/66/1380507866.db2.gz UFFXFRAEOOTXMK-UHFFFAOYSA-N 2 2 345.878 3.381 20 0 EGADLP CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149132 1380531125 /nfs/dbraw/zinc/53/11/25/1380531125.db2.gz CEZFVYDRBJLAOH-JKSUJKDBSA-N 2 2 346.450 3.061 20 0 EGADLP CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149132 1380531126 /nfs/dbraw/zinc/53/11/26/1380531126.db2.gz CEZFVYDRBJLAOH-JKSUJKDBSA-N 2 2 346.450 3.061 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617262 1380600323 /nfs/dbraw/zinc/60/03/23/1380600323.db2.gz BNLGHBSCHCGFFX-OAHLLOKOSA-N 2 2 334.508 3.058 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617262 1380600324 /nfs/dbraw/zinc/60/03/24/1380600324.db2.gz BNLGHBSCHCGFFX-OAHLLOKOSA-N 2 2 334.508 3.058 20 0 EGADLP C[NH+]1CCN(c2cccc(N[C@@H]3C[C@H]3c3ccc(F)c(F)c3)[nH+]2)CC1 ZINC001157298685 1380835679 /nfs/dbraw/zinc/83/56/79/1380835679.db2.gz GEINFLKMZKYIKK-WMLDXEAASA-N 2 2 344.409 3.080 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3C[N@@H+](C)CC(C)C)ccn12 ZINC001157957893 1381082186 /nfs/dbraw/zinc/08/21/86/1381082186.db2.gz KASGMNVKRXITDX-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3C[N@H+](C)CC(C)C)ccn12 ZINC001157957893 1381082193 /nfs/dbraw/zinc/08/21/93/1381082193.db2.gz KASGMNVKRXITDX-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CC1(C)C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158263358 1381177564 /nfs/dbraw/zinc/17/75/64/1381177564.db2.gz BUDTUSTULQDFQI-DNVCBOLYSA-N 2 2 331.508 3.423 20 0 EGADLP CC1(C)C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C[C@@](C)(C[NH3+])C1 ZINC001158263358 1381177568 /nfs/dbraw/zinc/17/75/68/1381177568.db2.gz BUDTUSTULQDFQI-DNVCBOLYSA-N 2 2 331.508 3.423 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806586 1381407762 /nfs/dbraw/zinc/40/77/62/1381407762.db2.gz LHTHQYQHECUDRT-LJQANCHMSA-N 2 2 348.535 3.102 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806586 1381407770 /nfs/dbraw/zinc/40/77/70/1381407770.db2.gz LHTHQYQHECUDRT-LJQANCHMSA-N 2 2 348.535 3.102 20 0 EGADLP C[C@@H]1CN(c2ccc(Nc3ccc4c(c3)CC[NH2+]C4)c[nH+]2)C[C@H](C)O1 ZINC001159167792 1381694875 /nfs/dbraw/zinc/69/48/75/1381694875.db2.gz SQLREOQZVXBQAX-GASCZTMLSA-N 2 2 338.455 3.085 20 0 EGADLP CCOc1cc(C)ccc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261337 1381745758 /nfs/dbraw/zinc/74/57/58/1381745758.db2.gz HLSJEIWBMRLRJQ-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc([C@H]3CCC[NH2+]3)cc2)CC1 ZINC001159261321 1381745904 /nfs/dbraw/zinc/74/59/04/1381745904.db2.gz GYMMARWKCOPZKQ-GOSISDBHSA-N 3 2 337.471 3.177 20 0 EGADLP Clc1cc(Nc2cccc(N3CC[NH2+]CC3)c2)cn2cc[nH+]c12 ZINC001159266800 1381747596 /nfs/dbraw/zinc/74/75/96/1381747596.db2.gz RWGIXDJTHXINJB-UHFFFAOYSA-N 2 2 327.819 3.141 20 0 EGADLP CN(c1ccc(Nc2cnn([C@@H]3CC[NH2+]C3)c2)c[nH+]1)C1CCCCC1 ZINC001159321446 1381761403 /nfs/dbraw/zinc/76/14/03/1381761403.db2.gz BTPXWWYWMLJIAN-GOSISDBHSA-N 2 2 340.475 3.325 20 0 EGADLP COc1cc[nH+]cc1Nc1ccc(OCC2CC[NH2+]CC2)c(F)c1 ZINC001159880597 1381927235 /nfs/dbraw/zinc/92/72/35/1381927235.db2.gz ADHLXMYSLJAWPJ-UHFFFAOYSA-N 2 2 331.391 3.351 20 0 EGADLP [NH3+][C@H]1CCCN(c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2)C1 ZINC001159980230 1381957839 /nfs/dbraw/zinc/95/78/39/1381957839.db2.gz BSXCXMNXGPEGBF-INIZCTEOSA-N 2 2 337.471 3.353 20 0 EGADLP Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1cccc2[nH+]c[nH]c21 ZINC001160124569 1382004877 /nfs/dbraw/zinc/00/48/77/1382004877.db2.gz SYPAHTOEZXGHJB-UHFFFAOYSA-N 2 2 339.418 3.422 20 0 EGADLP c1cc2c(c(Nc3ccc(N4CCCCC4)[nH+]c3)c1)[C@H]1C[NH2+]C[C@@H]1O2 ZINC001160394792 1382092349 /nfs/dbraw/zinc/09/23/49/1382092349.db2.gz NFIIZEGOWGWPRJ-YJBOKZPZSA-N 2 2 336.439 3.263 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001160533995 1382134409 /nfs/dbraw/zinc/13/44/09/1382134409.db2.gz FALOTOYAYUIMRK-HKUYNNGSSA-N 2 2 342.487 3.327 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc(F)c1 ZINC001160992962 1382265542 /nfs/dbraw/zinc/26/55/42/1382265542.db2.gz VYDHDXHGQJZOCA-ZDUSSCGKSA-N 2 2 340.402 3.173 20 0 EGADLP CCc1ccc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001160992162 1382265554 /nfs/dbraw/zinc/26/55/54/1382265554.db2.gz RKZGLAXRELVSPY-UHFFFAOYSA-N 2 2 336.439 3.035 20 0 EGADLP COCCC1(CNc2ccc3ccc(OC)cc3[nH+]2)CC[NH2+]CC1 ZINC001161503724 1382425178 /nfs/dbraw/zinc/42/51/78/1382425178.db2.gz RNNZYYRSQTWTQZ-UHFFFAOYSA-N 2 2 329.444 3.062 20 0 EGADLP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc([NH+](CC)CC)ccc1C ZINC001162736766 1382852703 /nfs/dbraw/zinc/85/27/03/1382852703.db2.gz CCZQDSMNADNZOX-LJQANCHMSA-N 2 2 349.519 3.384 20 0 EGADLP COc1cccc2[nH+]c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)ccc21 ZINC001163055704 1382955691 /nfs/dbraw/zinc/95/56/91/1382955691.db2.gz COFIGLZORGPCHW-OAHLLOKOSA-N 2 2 336.439 3.267 20 0 EGADLP C[Si](C)(C)c1ccc[nH+]c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163908887 1383134962 /nfs/dbraw/zinc/13/49/62/1383134962.db2.gz NJRHAGGYLIMNOV-UHFFFAOYSA-N 2 2 340.547 3.101 20 0 EGADLP Cc1[nH+]ccn1CCNc1c(Br)c[nH+]c2ccccc21 ZINC001163924641 1383136323 /nfs/dbraw/zinc/13/63/23/1383136323.db2.gz YSNMBFQFQRPENL-UHFFFAOYSA-N 2 2 331.217 3.036 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001164334343 1383178374 /nfs/dbraw/zinc/17/83/74/1383178374.db2.gz DQQQDERPYYOALE-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)cc2[nH+]1 ZINC001164493113 1383193206 /nfs/dbraw/zinc/19/32/06/1383193206.db2.gz QQDSITGMZUDEMU-NZSAHSFTSA-N 2 2 347.466 3.239 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cc2[nH+]1 ZINC001164493113 1383193209 /nfs/dbraw/zinc/19/32/09/1383193209.db2.gz QQDSITGMZUDEMU-NZSAHSFTSA-N 2 2 347.466 3.239 20 0 EGADLP Cc1c[nH+]c(N2CCC(C3CC[NH+](C)CC3)CC2)nc1NC(C)C ZINC001165065505 1383220259 /nfs/dbraw/zinc/22/02/59/1383220259.db2.gz JHQAFVMPQUZUGL-UHFFFAOYSA-N 2 2 331.508 3.164 20 0 EGADLP Cc1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc(C(C)C)[nH+]1 ZINC001165418219 1383291867 /nfs/dbraw/zinc/29/18/67/1383291867.db2.gz NPWVRBGFSITGLF-NQIIRXRSSA-N 2 2 336.483 3.492 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC001166401097 1383418710 /nfs/dbraw/zinc/41/87/10/1383418710.db2.gz BQSOJXXXKANZCU-IAGOWNOFSA-N 2 2 340.471 3.077 20 0 EGADLP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166408734 1383419078 /nfs/dbraw/zinc/41/90/78/1383419078.db2.gz YQKKCPMULKEVNF-QGZVFWFLSA-N 2 2 346.519 3.286 20 0 EGADLP c1ccc([C@@H](CNc2cc[nH+]c(N3CCCC3)n2)[NH+]2CCCC2)cc1 ZINC001166888148 1383494003 /nfs/dbraw/zinc/49/40/03/1383494003.db2.gz DGWZQVIFKAFBBV-GOSISDBHSA-N 2 2 337.471 3.326 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167426073 1383631305 /nfs/dbraw/zinc/63/13/05/1383631305.db2.gz PBTQXQLRPZLFAI-MRXNPFEDSA-N 2 2 334.508 3.045 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167426073 1383631307 /nfs/dbraw/zinc/63/13/07/1383631307.db2.gz PBTQXQLRPZLFAI-MRXNPFEDSA-N 2 2 334.508 3.045 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034709 1383801505 /nfs/dbraw/zinc/80/15/05/1383801505.db2.gz QTJSKCQRFIDTBV-HRQSHJORSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034709 1383801507 /nfs/dbraw/zinc/80/15/07/1383801507.db2.gz QTJSKCQRFIDTBV-HRQSHJORSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1CC(N2CCC3(C[NH+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056269 1383805501 /nfs/dbraw/zinc/80/55/01/1383805501.db2.gz FBEHEKFKKUXVSP-QZTJIDSGSA-N 2 2 327.516 3.066 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@H](C)C2)CC3)cs1 ZINC001168114941 1383820167 /nfs/dbraw/zinc/82/01/67/1383820167.db2.gz JTWLTSBWRZNWJR-CRAIPNDOSA-N 2 2 349.544 3.449 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@H](C)C2)CC3)cs1 ZINC001168114941 1383820169 /nfs/dbraw/zinc/82/01/69/1383820169.db2.gz JTWLTSBWRZNWJR-CRAIPNDOSA-N 2 2 349.544 3.449 20 0 EGADLP C[C@H]1C[C@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137215 1383825024 /nfs/dbraw/zinc/82/50/24/1383825024.db2.gz NNMWQUHVFWREJB-JSNNEVCYSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@H]1C[C@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137215 1383825028 /nfs/dbraw/zinc/82/50/28/1383825028.db2.gz NNMWQUHVFWREJB-JSNNEVCYSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137215 1383825036 /nfs/dbraw/zinc/82/50/36/1383825036.db2.gz NNMWQUHVFWREJB-JSNNEVCYSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137215 1383825041 /nfs/dbraw/zinc/82/50/41/1383825041.db2.gz NNMWQUHVFWREJB-JSNNEVCYSA-N 2 2 330.516 3.449 20 0 EGADLP Clc1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168371985 1383887118 /nfs/dbraw/zinc/88/71/18/1383887118.db2.gz REHDEGKUUWUXON-UHFFFAOYSA-N 2 2 333.907 3.336 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001168486702 1383920762 /nfs/dbraw/zinc/92/07/62/1383920762.db2.gz MZVKTTQRLNIPAW-YTQUADARSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001168486702 1383920765 /nfs/dbraw/zinc/92/07/65/1383920765.db2.gz MZVKTTQRLNIPAW-YTQUADARSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001168486702 1383920767 /nfs/dbraw/zinc/92/07/67/1383920767.db2.gz MZVKTTQRLNIPAW-YTQUADARSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001168486702 1383920771 /nfs/dbraw/zinc/92/07/71/1383920771.db2.gz MZVKTTQRLNIPAW-YTQUADARSA-N 2 2 339.458 3.216 20 0 EGADLP CCc1cc(N2CCC(CCC[N@H+](C)CCOC)CC2)nc(CC)[nH+]1 ZINC001307073047 1383937274 /nfs/dbraw/zinc/93/72/74/1383937274.db2.gz OYUFHPZPBIMUOU-UHFFFAOYSA-N 2 2 348.535 3.176 20 0 EGADLP CCc1cc(N2CCC(CCC[N@@H+](C)CCOC)CC2)nc(CC)[nH+]1 ZINC001307073047 1383937277 /nfs/dbraw/zinc/93/72/77/1383937277.db2.gz OYUFHPZPBIMUOU-UHFFFAOYSA-N 2 2 348.535 3.176 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093512 1384105610 /nfs/dbraw/zinc/10/56/10/1384105610.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 3 2 339.527 3.397 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093512 1384105613 /nfs/dbraw/zinc/10/56/13/1384105613.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169093512 1384105615 /nfs/dbraw/zinc/10/56/15/1384105615.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169093512 1384105617 /nfs/dbraw/zinc/10/56/17/1384105617.db2.gz IGCUCRDVHKXZSS-CODRONKASA-N 3 2 339.527 3.397 20 0 EGADLP COC(=O)[C@H](C)c1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169144875 1384114145 /nfs/dbraw/zinc/11/41/45/1384114145.db2.gz ODMYVSYTQJNJES-WTANOLMUSA-N 2 2 333.476 3.314 20 0 EGADLP CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151429 1384115506 /nfs/dbraw/zinc/11/55/06/1384115506.db2.gz JNAJEVCOHCVVDT-SLYNCCJLSA-N 3 2 344.547 3.175 20 0 EGADLP CC1(C)C[C@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151429 1384115507 /nfs/dbraw/zinc/11/55/07/1384115507.db2.gz JNAJEVCOHCVVDT-SLYNCCJLSA-N 3 2 344.547 3.175 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001169240029 1384126080 /nfs/dbraw/zinc/12/60/80/1384126080.db2.gz BMAXQTFPKRXDQG-UHFFFAOYSA-N 3 2 335.923 3.160 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(OC(F)(F)F)cc32)CC1 ZINC001169244211 1384126950 /nfs/dbraw/zinc/12/69/50/1384126950.db2.gz IGGLHGQWEONQRW-OAHLLOKOSA-N 2 2 344.377 3.483 20 0 EGADLP CCN(C(=O)OC(C)(C)C)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169258613 1384128448 /nfs/dbraw/zinc/12/84/48/1384128448.db2.gz OPOAAYUUALSQNX-UHFFFAOYSA-N 2 2 339.524 3.192 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169273573 1384130850 /nfs/dbraw/zinc/13/08/50/1384130850.db2.gz WJQOADVYFZKDKY-XBMUEBEBSA-N 2 2 330.472 3.227 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169273573 1384130852 /nfs/dbraw/zinc/13/08/52/1384130852.db2.gz WJQOADVYFZKDKY-XBMUEBEBSA-N 2 2 330.472 3.227 20 0 EGADLP CC[NH+](CC)C1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774203 1384185217 /nfs/dbraw/zinc/18/52/17/1384185217.db2.gz DXEUULFDHKXHDO-HXUWFJFHSA-N 2 2 343.515 3.097 20 0 EGADLP Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001170676070 1384362619 /nfs/dbraw/zinc/36/26/19/1384362619.db2.gz VXQHCBCXNPUSPN-QGZVFWFLSA-N 2 2 343.421 3.476 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711022 1384371879 /nfs/dbraw/zinc/37/18/79/1384371879.db2.gz MSSWVOKZFMLNIS-QFIPXVFZSA-N 2 2 338.495 3.413 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711022 1384371882 /nfs/dbraw/zinc/37/18/82/1384371882.db2.gz MSSWVOKZFMLNIS-QFIPXVFZSA-N 2 2 338.495 3.413 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711022 1384371887 /nfs/dbraw/zinc/37/18/87/1384371887.db2.gz MSSWVOKZFMLNIS-QFIPXVFZSA-N 2 2 338.495 3.413 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711022 1384371889 /nfs/dbraw/zinc/37/18/89/1384371889.db2.gz MSSWVOKZFMLNIS-QFIPXVFZSA-N 2 2 338.495 3.413 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889375 1384406697 /nfs/dbraw/zinc/40/66/97/1384406697.db2.gz NHKHDQYVXYKPSI-FHLIZLRMSA-N 2 2 349.316 3.332 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889375 1384406699 /nfs/dbraw/zinc/40/66/99/1384406699.db2.gz NHKHDQYVXYKPSI-FHLIZLRMSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889375 1384406702 /nfs/dbraw/zinc/40/67/02/1384406702.db2.gz NHKHDQYVXYKPSI-FHLIZLRMSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889375 1384406703 /nfs/dbraw/zinc/40/67/03/1384406703.db2.gz NHKHDQYVXYKPSI-FHLIZLRMSA-N 2 2 349.316 3.332 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359744 1384502074 /nfs/dbraw/zinc/50/20/74/1384502074.db2.gz UKGZQKNFEWGCQI-HDNKPZPWSA-N 2 2 332.492 3.134 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359744 1384502081 /nfs/dbraw/zinc/50/20/81/1384502081.db2.gz UKGZQKNFEWGCQI-HDNKPZPWSA-N 2 2 332.492 3.134 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171597497 1384575177 /nfs/dbraw/zinc/57/51/77/1384575177.db2.gz ZNSSPFNQZFPSBV-FUHWJXTLSA-N 2 2 348.535 3.146 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171606046 1384577918 /nfs/dbraw/zinc/57/79/18/1384577918.db2.gz SXAZPEWGWAMWGC-WYIDIVSCSA-N 2 2 346.519 3.066 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnc(OCC3CC3)n2)CC1(C)C ZINC001171630111 1384586757 /nfs/dbraw/zinc/58/67/57/1384586757.db2.gz JNLRDKRBMBXDJL-UHFFFAOYSA-N 2 2 332.492 3.006 20 0 EGADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccco3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171762309 1384629030 /nfs/dbraw/zinc/62/90/30/1384629030.db2.gz IYUUUUDHCYNVGU-AZUAARDMSA-N 2 2 339.483 3.060 20 0 EGADLP C[C@H]1C[C@@H](N2CC[NH+](Cc3ccco3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171762309 1384629032 /nfs/dbraw/zinc/62/90/32/1384629032.db2.gz IYUUUUDHCYNVGU-AZUAARDMSA-N 2 2 339.483 3.060 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784462 1384635556 /nfs/dbraw/zinc/63/55/56/1384635556.db2.gz NLVBSVJCYVYTGU-HNNXBMFYSA-N 2 2 328.460 3.013 20 0 EGADLP Cc1nccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067107 1384716756 /nfs/dbraw/zinc/71/67/56/1384716756.db2.gz FIGUVXMPSXJUIB-ACDBMABISA-N 2 2 336.483 3.460 20 0 EGADLP Cc1nccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067107 1384716757 /nfs/dbraw/zinc/71/67/57/1384716757.db2.gz FIGUVXMPSXJUIB-ACDBMABISA-N 2 2 336.483 3.460 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073715 1384719347 /nfs/dbraw/zinc/71/93/47/1384719347.db2.gz BWUZSSKFCQHNRF-PMOLBWCYSA-N 2 2 342.483 3.021 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073715 1384719349 /nfs/dbraw/zinc/71/93/49/1384719349.db2.gz BWUZSSKFCQHNRF-PMOLBWCYSA-N 2 2 342.483 3.021 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073715 1384719353 /nfs/dbraw/zinc/71/93/53/1384719353.db2.gz BWUZSSKFCQHNRF-PMOLBWCYSA-N 2 2 342.483 3.021 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073715 1384719358 /nfs/dbraw/zinc/71/93/58/1384719358.db2.gz BWUZSSKFCQHNRF-PMOLBWCYSA-N 2 2 342.483 3.021 20 0 EGADLP Cc1nccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172072763 1384720019 /nfs/dbraw/zinc/72/00/19/1384720019.db2.gz MWRSWMHOTRRGPC-WKCHPHFGSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1nccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172072763 1384720023 /nfs/dbraw/zinc/72/00/23/1384720023.db2.gz MWRSWMHOTRRGPC-WKCHPHFGSA-N 2 2 336.483 3.460 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090412 1384725269 /nfs/dbraw/zinc/72/52/69/1384725269.db2.gz VNGSXNIHKDMKDC-FDKIHUSFSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090412 1384725271 /nfs/dbraw/zinc/72/52/71/1384725271.db2.gz VNGSXNIHKDMKDC-FDKIHUSFSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090412 1384725272 /nfs/dbraw/zinc/72/52/72/1384725272.db2.gz VNGSXNIHKDMKDC-FDKIHUSFSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090412 1384725275 /nfs/dbraw/zinc/72/52/75/1384725275.db2.gz VNGSXNIHKDMKDC-FDKIHUSFSA-N 2 2 326.484 3.435 20 0 EGADLP Cc1ccc(C)c(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172113779 1384730616 /nfs/dbraw/zinc/73/06/16/1384730616.db2.gz MCLJOHDGJOHXGU-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(C)c(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172113779 1384730618 /nfs/dbraw/zinc/73/06/18/1384730618.db2.gz MCLJOHDGJOHXGU-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001172128566 1384736003 /nfs/dbraw/zinc/73/60/03/1384736003.db2.gz SFTNWBPIAIXGQT-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001172128566 1384736005 /nfs/dbraw/zinc/73/60/05/1384736005.db2.gz SFTNWBPIAIXGQT-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172197476 1384745536 /nfs/dbraw/zinc/74/55/36/1384745536.db2.gz LXIDRDZJNYYARS-KRWDZBQOSA-N 2 2 325.481 3.048 20 0 EGADLP CC[C@@H](CC(C)C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001172383213 1384782293 /nfs/dbraw/zinc/78/22/93/1384782293.db2.gz LFLHSQBJJHSTBR-IBGZPJMESA-N 2 2 334.504 3.312 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452728 1384795416 /nfs/dbraw/zinc/79/54/16/1384795416.db2.gz UXVFOIMKCQFHEM-YESZJQIVSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452728 1384795419 /nfs/dbraw/zinc/79/54/19/1384795419.db2.gz UXVFOIMKCQFHEM-YESZJQIVSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172452728 1384795423 /nfs/dbraw/zinc/79/54/23/1384795423.db2.gz UXVFOIMKCQFHEM-YESZJQIVSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172452728 1384795425 /nfs/dbraw/zinc/79/54/25/1384795425.db2.gz UXVFOIMKCQFHEM-YESZJQIVSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)COCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172463062 1384797987 /nfs/dbraw/zinc/79/79/87/1384797987.db2.gz JAUBEUBPFKHWGX-QGZVFWFLSA-N 2 2 334.504 3.397 20 0 EGADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075542 1384908759 /nfs/dbraw/zinc/90/87/59/1384908759.db2.gz LBOGSBXVVUGQMA-NVXWUHKLSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075542 1384908764 /nfs/dbraw/zinc/90/87/64/1384908764.db2.gz LBOGSBXVVUGQMA-NVXWUHKLSA-N 2 2 339.524 3.191 20 0 EGADLP C[NH+]1CC(C[NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173705902 1385005731 /nfs/dbraw/zinc/00/57/31/1385005731.db2.gz FOXPFCSKAZHMGJ-OAQYLSRUSA-N 2 2 336.479 3.274 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001317290734 1385064221 /nfs/dbraw/zinc/06/42/21/1385064221.db2.gz SXHQZIVXOQUIJP-CABCVRRESA-N 2 2 348.878 3.172 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001174581965 1385122698 /nfs/dbraw/zinc/12/26/98/1385122698.db2.gz WYIMQRPOYOYWSV-JLAWEPINSA-N 2 2 348.535 3.364 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317452133 1385151251 /nfs/dbraw/zinc/15/12/51/1385151251.db2.gz VVWLUQNCYITIIY-ZDUSSCGKSA-N 2 2 340.402 3.125 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317452133 1385151255 /nfs/dbraw/zinc/15/12/55/1385151255.db2.gz VVWLUQNCYITIIY-ZDUSSCGKSA-N 2 2 340.402 3.125 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC001174813685 1385153203 /nfs/dbraw/zinc/15/32/03/1385153203.db2.gz AWIGZWLMULUHKG-UHFFFAOYSA-N 2 2 347.466 3.427 20 0 EGADLP CCC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317540003 1385275489 /nfs/dbraw/zinc/27/54/89/1385275489.db2.gz AKXOFVOHKKESGN-QGZVFWFLSA-N 2 2 348.535 3.100 20 0 EGADLP CCC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317540003 1385275493 /nfs/dbraw/zinc/27/54/93/1385275493.db2.gz AKXOFVOHKKESGN-QGZVFWFLSA-N 2 2 348.535 3.100 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175628945 1385356322 /nfs/dbraw/zinc/35/63/22/1385356322.db2.gz HVCRAXUJRDMOHI-DLBZAZTESA-N 2 2 342.487 3.053 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175628945 1385356326 /nfs/dbraw/zinc/35/63/26/1385356326.db2.gz HVCRAXUJRDMOHI-DLBZAZTESA-N 2 2 342.487 3.053 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001317674531 1385380593 /nfs/dbraw/zinc/38/05/93/1385380593.db2.gz FASGSUBWTRJUBP-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176400738 1385576603 /nfs/dbraw/zinc/57/66/03/1385576603.db2.gz IBYHCUYSGYRMRH-KRWDZBQOSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)n1cc[nH+]c1 ZINC001318012850 1385608280 /nfs/dbraw/zinc/60/82/80/1385608280.db2.gz MAQPNMDIZNUFEG-IRXDYDNUSA-N 2 2 340.471 3.135 20 0 EGADLP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)n1cc[nH+]c1 ZINC001318012850 1385608286 /nfs/dbraw/zinc/60/82/86/1385608286.db2.gz MAQPNMDIZNUFEG-IRXDYDNUSA-N 2 2 340.471 3.135 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177339912 1385920574 /nfs/dbraw/zinc/92/05/74/1385920574.db2.gz UORVMDTZHZWOEA-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177339912 1385920577 /nfs/dbraw/zinc/92/05/77/1385920577.db2.gz UORVMDTZHZWOEA-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001177362875 1385930296 /nfs/dbraw/zinc/93/02/96/1385930296.db2.gz SYXIZOBXIDAHDX-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178346688 1386193832 /nfs/dbraw/zinc/19/38/32/1386193832.db2.gz VZDWSUOIAFNIKI-UHFFFAOYSA-N 2 2 332.492 3.109 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852041 1386328521 /nfs/dbraw/zinc/32/85/21/1386328521.db2.gz KFEHOJIKWHUIFF-OAJJDEHYSA-N 2 2 346.519 3.068 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179630264 1386535536 /nfs/dbraw/zinc/53/55/36/1386535536.db2.gz NNHRXFCGTFSXGK-IAGOWNOFSA-N 2 2 348.535 3.226 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001179907151 1386624216 /nfs/dbraw/zinc/62/42/16/1386624216.db2.gz XKZDIYHWKRWTSM-KRWDZBQOSA-N 2 2 342.487 3.288 20 0 EGADLP Cc1nc2cc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)ccc2o1 ZINC001321472563 1386912257 /nfs/dbraw/zinc/91/22/57/1386912257.db2.gz XKDWZQVLZBKIOZ-UHFFFAOYSA-N 2 2 333.351 3.278 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652709 1386949902 /nfs/dbraw/zinc/94/99/02/1386949902.db2.gz LLYCNJLLVKJZBF-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652709 1386949904 /nfs/dbraw/zinc/94/99/04/1386949904.db2.gz LLYCNJLLVKJZBF-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP C[NH+]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)CC1 ZINC001182243516 1387130278 /nfs/dbraw/zinc/13/02/78/1387130278.db2.gz JCHZYMOLWNAWMM-SFHVURJKSA-N 2 2 349.906 3.031 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855990 1387235587 /nfs/dbraw/zinc/23/55/87/1387235587.db2.gz NQQSDTNQOIAHEU-IGQRSLPVSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855990 1387235589 /nfs/dbraw/zinc/23/55/89/1387235589.db2.gz NQQSDTNQOIAHEU-IGQRSLPVSA-N 2 2 346.519 3.019 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC001330317589 1389386158 /nfs/dbraw/zinc/38/61/58/1389386158.db2.gz FELPNMSKBIIOQI-HWKANZROSA-N 2 2 339.786 3.276 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001331997445 1389939837 /nfs/dbraw/zinc/93/98/37/1389939837.db2.gz OVGCMZNRYAFTKB-XJKSGUPXSA-N 2 2 328.460 3.192 20 0 EGADLP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001340138376 1390234623 /nfs/dbraw/zinc/23/46/23/1390234623.db2.gz GJQFNIWEHJQRND-GUTXKFCHSA-N 2 2 338.521 3.077 20 0 EGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001333353917 1390288162 /nfs/dbraw/zinc/28/81/62/1390288162.db2.gz FVBGACKCQSFRAY-HNNXBMFYSA-N 2 2 330.451 3.080 20 0 EGADLP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001333353917 1390288167 /nfs/dbraw/zinc/28/81/67/1390288167.db2.gz FVBGACKCQSFRAY-HNNXBMFYSA-N 2 2 330.451 3.080 20 0 EGADLP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)cn2c1 ZINC001335060779 1390636730 /nfs/dbraw/zinc/63/67/30/1390636730.db2.gz KWWWSJSEHYFODL-GOSISDBHSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1ccc2nc(C[N@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)cn2c1 ZINC001335060779 1390636732 /nfs/dbraw/zinc/63/67/32/1390636732.db2.gz KWWWSJSEHYFODL-GOSISDBHSA-N 2 2 335.455 3.423 20 0 EGADLP CCc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[nH+]c1 ZINC001354154632 1392123400 /nfs/dbraw/zinc/12/34/00/1392123400.db2.gz DAWIOLMXDBHLJV-IBGZPJMESA-N 2 2 325.456 3.213 20 0 EGADLP CCc1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[nH+]c1 ZINC001354154632 1392123401 /nfs/dbraw/zinc/12/34/01/1392123401.db2.gz DAWIOLMXDBHLJV-IBGZPJMESA-N 2 2 325.456 3.213 20 0 EGADLP C[C@H]([NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1)c1ccccc1 ZINC001480029037 1392541400 /nfs/dbraw/zinc/54/14/00/1392541400.db2.gz RSTFKEUXBANDCX-VBKZILBWSA-N 2 2 348.450 3.422 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001480781946 1392930003 /nfs/dbraw/zinc/93/00/03/1392930003.db2.gz VJTYXONASFEKHL-GFCCVEGCSA-N 2 2 339.430 3.150 20 0 EGADLP CC[C@H]([NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001481285777 1393158318 /nfs/dbraw/zinc/15/83/18/1393158318.db2.gz QIFCQJPABQIUSH-QAPCUYQASA-N 2 2 346.450 3.173 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481534931 1394393592 /nfs/dbraw/zinc/39/35/92/1394393592.db2.gz OKYMEGCLDMHQGV-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481534931 1394393593 /nfs/dbraw/zinc/39/35/93/1394393593.db2.gz OKYMEGCLDMHQGV-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481534931 1394393600 /nfs/dbraw/zinc/39/36/00/1394393600.db2.gz OKYMEGCLDMHQGV-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481534931 1394393603 /nfs/dbraw/zinc/39/36/03/1394393603.db2.gz OKYMEGCLDMHQGV-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1CC[NH+](CCC2CCCC2)CC1 ZINC001482043608 1394705715 /nfs/dbraw/zinc/70/57/15/1394705715.db2.gz PKTPRISZLQKTPL-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1CC[NH+](CCC2CCCC2)CC1 ZINC001482043608 1394705717 /nfs/dbraw/zinc/70/57/17/1394705717.db2.gz PKTPRISZLQKTPL-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001482299719 1394876374 /nfs/dbraw/zinc/87/63/74/1394876374.db2.gz SUWPQGDZEZNXSE-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001484175010 1395321176 /nfs/dbraw/zinc/32/11/76/1395321176.db2.gz SUVXOEPFMDJWDX-HXUWFJFHSA-N 2 2 348.535 3.007 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001484175010 1395321179 /nfs/dbraw/zinc/32/11/79/1395321179.db2.gz SUVXOEPFMDJWDX-HXUWFJFHSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001484759738 1395512236 /nfs/dbraw/zinc/51/22/36/1395512236.db2.gz CZVWBWKTBODFON-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001484759738 1395512237 /nfs/dbraw/zinc/51/22/37/1395512237.db2.gz CZVWBWKTBODFON-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP CC[C@H](C)C[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001690163279 1404361587 /nfs/dbraw/zinc/36/15/87/1404361587.db2.gz ZOTTWKVXGZIPEM-HNAYVOBHSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H]1CCCc2ccccc21 ZINC001690591334 1404642827 /nfs/dbraw/zinc/64/28/27/1404642827.db2.gz LNBZVWRTPLRBKX-LIRRHRJNSA-N 2 2 348.450 3.348 20 0 EGADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)c1cccc(Cl)c1 ZINC001691034519 1404944192 /nfs/dbraw/zinc/94/41/92/1404944192.db2.gz QDESBDYJQBXZHX-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)c1cccc(Cl)c1 ZINC001691034519 1404944195 /nfs/dbraw/zinc/94/41/95/1404944195.db2.gz QDESBDYJQBXZHX-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001691922585 1405652045 /nfs/dbraw/zinc/65/20/45/1405652045.db2.gz QFBHGDDULPWVOD-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001691922585 1405652050 /nfs/dbraw/zinc/65/20/50/1405652050.db2.gz QFBHGDDULPWVOD-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001699146451 1412534923 /nfs/dbraw/zinc/53/49/23/1412534923.db2.gz DJGZPHCTXDUGFW-BBRMVZONSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001699608234 1412972791 /nfs/dbraw/zinc/97/27/91/1412972791.db2.gz VBDMYHSXYNJDQB-ROAXPNGRSA-N 2 2 346.862 3.146 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001700101430 1413518864 /nfs/dbraw/zinc/51/88/64/1413518864.db2.gz DVQPOJHZRYOEFQ-KOMQPUFPSA-N 2 2 328.460 3.097 20 0 EGADLP CCCC[N@H+](CC)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700340949 1413821148 /nfs/dbraw/zinc/82/11/48/1413821148.db2.gz FTDZIWAECPRQCS-KRWDZBQOSA-N 2 2 334.508 3.195 20 0 EGADLP CCCC[N@@H+](CC)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001700340949 1413821156 /nfs/dbraw/zinc/82/11/56/1413821156.db2.gz FTDZIWAECPRQCS-KRWDZBQOSA-N 2 2 334.508 3.195 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)CCc1[nH+]ccn1C ZINC001700443353 1414017154 /nfs/dbraw/zinc/01/71/54/1414017154.db2.gz CTRZSPIXBHDYJH-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCC1CCCCCC1 ZINC001700776518 1414456860 /nfs/dbraw/zinc/45/68/60/1414456860.db2.gz RTWCJQZALIFTLD-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001732592692 1428819500 /nfs/dbraw/zinc/81/95/00/1428819500.db2.gz LIMVOLMZVXTYDI-ZWKOTPCHSA-N 2 2 342.487 3.294 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001732592692 1428819510 /nfs/dbraw/zinc/81/95/10/1428819510.db2.gz LIMVOLMZVXTYDI-ZWKOTPCHSA-N 2 2 342.487 3.294 20 0 EGADLP CCC(CC)C[N@H+](C)CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001732594482 1428825282 /nfs/dbraw/zinc/82/52/82/1428825282.db2.gz MJTVOYLFBGKLGC-UHFFFAOYSA-N 2 2 344.503 3.012 20 0 EGADLP CCC(CC)C[N@@H+](C)CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001732594482 1428825286 /nfs/dbraw/zinc/82/52/86/1428825286.db2.gz MJTVOYLFBGKLGC-UHFFFAOYSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001733005624 1429126158 /nfs/dbraw/zinc/12/61/58/1429126158.db2.gz SBYUVVHJBGFMFP-HNNXBMFYSA-N 2 2 342.487 3.259 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001713000238 1417553943 /nfs/dbraw/zinc/55/39/43/1417553943.db2.gz QYFBQCPSBMXIJV-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001713000238 1417553946 /nfs/dbraw/zinc/55/39/46/1417553946.db2.gz QYFBQCPSBMXIJV-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713275391 1417892521 /nfs/dbraw/zinc/89/25/21/1417892521.db2.gz IBXSUWKJJTXAKM-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713275391 1417892525 /nfs/dbraw/zinc/89/25/25/1417892525.db2.gz IBXSUWKJJTXAKM-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713275391 1417892528 /nfs/dbraw/zinc/89/25/28/1417892528.db2.gz IBXSUWKJJTXAKM-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713275391 1417892530 /nfs/dbraw/zinc/89/25/30/1417892530.db2.gz IBXSUWKJJTXAKM-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCCc2ccsc2)c(C)[nH+]1 ZINC001713460909 1418117799 /nfs/dbraw/zinc/11/77/99/1418117799.db2.gz FXTGOAVWJZYMQQ-UHFFFAOYSA-N 2 2 345.512 3.363 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCCc2ccsc2)c(C)[nH+]1 ZINC001713460909 1418117808 /nfs/dbraw/zinc/11/78/08/1418117808.db2.gz FXTGOAVWJZYMQQ-UHFFFAOYSA-N 2 2 345.512 3.363 20 0 EGADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1cccc(Cl)c1 ZINC001713940438 1418728958 /nfs/dbraw/zinc/72/89/58/1418728958.db2.gz DUKPIZPCMBHUIL-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1cccc(Cl)c1 ZINC001713940438 1418728960 /nfs/dbraw/zinc/72/89/60/1418728960.db2.gz DUKPIZPCMBHUIL-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1cccc(Cl)c1 ZINC001713940438 1418728964 /nfs/dbraw/zinc/72/89/64/1418728964.db2.gz DUKPIZPCMBHUIL-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1cccc(Cl)c1 ZINC001713940438 1418728967 /nfs/dbraw/zinc/72/89/67/1418728967.db2.gz DUKPIZPCMBHUIL-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714046249 1418842016 /nfs/dbraw/zinc/84/20/16/1418842016.db2.gz AMHFFPSSFIIYCO-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714046249 1418842018 /nfs/dbraw/zinc/84/20/18/1418842018.db2.gz AMHFFPSSFIIYCO-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001715343867 1420046354 /nfs/dbraw/zinc/04/63/54/1420046354.db2.gz ZFXJQHSDRHOVDR-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001715343867 1420046355 /nfs/dbraw/zinc/04/63/55/1420046355.db2.gz ZFXJQHSDRHOVDR-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001715532160 1420222994 /nfs/dbraw/zinc/22/29/94/1420222994.db2.gz HHBUOBAASDBHDQ-MJGOQNOKSA-N 2 2 342.487 3.376 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001715532160 1420222995 /nfs/dbraw/zinc/22/29/95/1420222995.db2.gz HHBUOBAASDBHDQ-MJGOQNOKSA-N 2 2 342.487 3.376 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001715533059 1420224911 /nfs/dbraw/zinc/22/49/11/1420224911.db2.gz QLLXUTBIANSXDN-LPHOPBHVSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001715533059 1420224914 /nfs/dbraw/zinc/22/49/14/1420224914.db2.gz QLLXUTBIANSXDN-LPHOPBHVSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001715533059 1420224917 /nfs/dbraw/zinc/22/49/17/1420224917.db2.gz QLLXUTBIANSXDN-LPHOPBHVSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001715533059 1420224919 /nfs/dbraw/zinc/22/49/19/1420224919.db2.gz QLLXUTBIANSXDN-LPHOPBHVSA-N 2 2 342.487 3.130 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715703742 1420302539 /nfs/dbraw/zinc/30/25/39/1420302539.db2.gz SGVMTQUQKILRTK-OLZOCXBDSA-N 2 2 348.878 3.160 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715935287 1420406692 /nfs/dbraw/zinc/40/66/92/1420406692.db2.gz KCBFJZBESFERGE-CHWSQXEVSA-N 2 2 340.402 3.171 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001715987496 1420444802 /nfs/dbraw/zinc/44/48/02/1420444802.db2.gz NKDLCMJZIXPDFY-RDJZCZTQSA-N 2 2 336.439 3.194 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001716897601 1421025940 /nfs/dbraw/zinc/02/59/40/1421025940.db2.gz FMAHKXNHAVETQD-FQEVSTJZSA-N 2 2 348.535 3.318 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001716897601 1421025942 /nfs/dbraw/zinc/02/59/42/1421025942.db2.gz FMAHKXNHAVETQD-FQEVSTJZSA-N 2 2 348.535 3.318 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001717123177 1421126085 /nfs/dbraw/zinc/12/60/85/1421126085.db2.gz BQFJBTBFGNVUQB-WGSAOQKQSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC(C)(C)C ZINC001717339060 1421276555 /nfs/dbraw/zinc/27/65/55/1421276555.db2.gz KUUFIMSXTAEZFJ-ZWKOTPCHSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC(C)(C)C ZINC001717339060 1421276557 /nfs/dbraw/zinc/27/65/57/1421276557.db2.gz KUUFIMSXTAEZFJ-ZWKOTPCHSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@@H](CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001733361096 1429544874 /nfs/dbraw/zinc/54/48/74/1429544874.db2.gz LLHBQBMEYSXWEH-KRWDZBQOSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733361269 1429545041 /nfs/dbraw/zinc/54/50/41/1429545041.db2.gz QZZIOXUXKCAPNM-SJORKVTESA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733361269 1429545043 /nfs/dbraw/zinc/54/50/43/1429545043.db2.gz QZZIOXUXKCAPNM-SJORKVTESA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001733764342 1429983985 /nfs/dbraw/zinc/98/39/85/1429983985.db2.gz FWEZKTSWHRKUDB-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001733764342 1429983988 /nfs/dbraw/zinc/98/39/88/1429983988.db2.gz FWEZKTSWHRKUDB-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001724857427 1425232838 /nfs/dbraw/zinc/23/28/38/1425232838.db2.gz OLGZSHZVFVBTTM-IAGOWNOFSA-N 2 2 348.535 3.130 20 0 EGADLP CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001724857427 1425232843 /nfs/dbraw/zinc/23/28/43/1425232843.db2.gz OLGZSHZVFVBTTM-IAGOWNOFSA-N 2 2 348.535 3.130 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170404 1425678668 /nfs/dbraw/zinc/67/86/68/1425678668.db2.gz BXIQJBSMXYNLIL-HUUCEWRRSA-N 2 2 330.476 3.295 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170404 1425678697 /nfs/dbraw/zinc/67/86/97/1425678697.db2.gz BXIQJBSMXYNLIL-HUUCEWRRSA-N 2 2 330.476 3.295 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001725195449 1425748515 /nfs/dbraw/zinc/74/85/15/1425748515.db2.gz NLHQUFGQWGOLKJ-GXTWGEPZSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001725195449 1425748519 /nfs/dbraw/zinc/74/85/19/1425748519.db2.gz NLHQUFGQWGOLKJ-GXTWGEPZSA-N 2 2 348.878 3.112 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001725239283 1425837215 /nfs/dbraw/zinc/83/72/15/1425837215.db2.gz MMXZATOUFRGZCU-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001725239283 1425837224 /nfs/dbraw/zinc/83/72/24/1425837224.db2.gz MMXZATOUFRGZCU-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001725239285 1425837271 /nfs/dbraw/zinc/83/72/71/1425837271.db2.gz MMXZATOUFRGZCU-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001725239285 1425837280 /nfs/dbraw/zinc/83/72/80/1425837280.db2.gz MMXZATOUFRGZCU-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP Cc1ccc(CC[N@H+](C)CCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001731779682 1427902648 /nfs/dbraw/zinc/90/26/48/1427902648.db2.gz JNNPCHOEHXVXRN-UHFFFAOYSA-N 2 2 339.483 3.220 20 0 EGADLP Cc1ccc(CC[N@@H+](C)CCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001731779682 1427902651 /nfs/dbraw/zinc/90/26/51/1427902651.db2.gz JNNPCHOEHXVXRN-UHFFFAOYSA-N 2 2 339.483 3.220 20 0 EGADLP CCC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCC1CCCC1 ZINC001731865742 1428112668 /nfs/dbraw/zinc/11/26/68/1428112668.db2.gz AECOWUWOBNGBOD-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCC1CCCC1 ZINC001731865742 1428112669 /nfs/dbraw/zinc/11/26/69/1428112669.db2.gz AECOWUWOBNGBOD-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP C[C@@H]([NH2+]CCF)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001733682789 1429896250 /nfs/dbraw/zinc/89/62/50/1429896250.db2.gz WLPDAKTYPCZWGG-CYBMUJFWSA-N 2 2 340.402 3.113 20 0 EGADLP CC[N@H+](C[C@@H](C)CC(C)C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001733920441 1437734283 /nfs/dbraw/zinc/73/42/83/1437734283.db2.gz JGQDKCYMHOCEOE-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@@H+](C[C@@H](C)CC(C)C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001733920441 1437734285 /nfs/dbraw/zinc/73/42/85/1437734285.db2.gz JGQDKCYMHOCEOE-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464446 1438120525 /nfs/dbraw/zinc/12/05/25/1438120525.db2.gz XYKUYAZLNSNIIP-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464446 1438120528 /nfs/dbraw/zinc/12/05/28/1438120528.db2.gz XYKUYAZLNSNIIP-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464446 1438120530 /nfs/dbraw/zinc/12/05/30/1438120530.db2.gz XYKUYAZLNSNIIP-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464446 1438120533 /nfs/dbraw/zinc/12/05/33/1438120533.db2.gz XYKUYAZLNSNIIP-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001753000479 1440264330 /nfs/dbraw/zinc/26/43/30/1440264330.db2.gz GJCHRQSDRSYSIV-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001753000479 1440264331 /nfs/dbraw/zinc/26/43/31/1440264331.db2.gz GJCHRQSDRSYSIV-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029368 1440272398 /nfs/dbraw/zinc/27/23/98/1440272398.db2.gz CGSXZZXPPBTDEB-JKSUJKDBSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@H](F)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029368 1440272399 /nfs/dbraw/zinc/27/23/99/1440272399.db2.gz CGSXZZXPPBTDEB-JKSUJKDBSA-N 2 2 346.450 3.285 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC1CCC(C)(C)CC1 ZINC001753091094 1440298933 /nfs/dbraw/zinc/29/89/33/1440298933.db2.gz IODYDXSNKAGMEH-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC1CCC(C)(C)CC1 ZINC001753091094 1440298934 /nfs/dbraw/zinc/29/89/34/1440298934.db2.gz IODYDXSNKAGMEH-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC001753091094 1440298935 /nfs/dbraw/zinc/29/89/35/1440298935.db2.gz IODYDXSNKAGMEH-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC001753091094 1440298936 /nfs/dbraw/zinc/29/89/36/1440298936.db2.gz IODYDXSNKAGMEH-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129097 1440316109 /nfs/dbraw/zinc/31/61/09/1440316109.db2.gz JUKIUQPMTOGGNO-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129097 1440316110 /nfs/dbraw/zinc/31/61/10/1440316110.db2.gz JUKIUQPMTOGGNO-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CCC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CC(C)(C)C1 ZINC001753145898 1440324516 /nfs/dbraw/zinc/32/45/16/1440324516.db2.gz ZJKIKGLZYRYSMZ-UHFFFAOYSA-N 2 2 342.487 3.441 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CC(C)(C)C1 ZINC001753145898 1440324517 /nfs/dbraw/zinc/32/45/17/1440324517.db2.gz ZJKIKGLZYRYSMZ-UHFFFAOYSA-N 2 2 342.487 3.441 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330851 1440369222 /nfs/dbraw/zinc/36/92/22/1440369222.db2.gz NMPIKJDCYQNEPQ-GJZGRUSLSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330851 1440369223 /nfs/dbraw/zinc/36/92/23/1440369223.db2.gz NMPIKJDCYQNEPQ-GJZGRUSLSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H](C)CC(C)C ZINC001753477334 1440415524 /nfs/dbraw/zinc/41/55/24/1440415524.db2.gz DRVBZPQAOOZPHD-HOCLYGCPSA-N 2 2 330.476 3.343 20 0 EGADLP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754326338 1440580687 /nfs/dbraw/zinc/58/06/87/1440580687.db2.gz IGNBSZKHYNPMKX-SJORKVTESA-N 2 2 334.508 3.241 20 0 EGADLP C[C@H](C[N@@H+](C)CCC1CCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754326338 1440580688 /nfs/dbraw/zinc/58/06/88/1440580688.db2.gz IGNBSZKHYNPMKX-SJORKVTESA-N 2 2 334.508 3.241 20 0 EGADLP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001754545207 1440627181 /nfs/dbraw/zinc/62/71/81/1440627181.db2.gz ZYZDCHANKOIJGM-YQQQUEKLSA-N 2 2 346.519 3.211 20 0 EGADLP CC1(CNC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CC2CCCCC2)CC1 ZINC001754718289 1440672266 /nfs/dbraw/zinc/67/22/66/1440672266.db2.gz VXKZWABQKAMWHZ-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC1(CNC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CC2CCCCC2)CC1 ZINC001754718289 1440672267 /nfs/dbraw/zinc/67/22/67/1440672267.db2.gz VXKZWABQKAMWHZ-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001754947971 1440713949 /nfs/dbraw/zinc/71/39/49/1440713949.db2.gz CXYOZNABLMNSOD-HOTGVXAUSA-N 2 2 328.460 3.210 20 0 EGADLP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001755038926 1440735977 /nfs/dbraw/zinc/73/59/77/1440735977.db2.gz KLVTYBRUZXHBER-UHFFFAOYSA-N 2 2 330.476 3.164 20 0 EGADLP CN(CCC[N@@H+](C)CCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001755038926 1440735978 /nfs/dbraw/zinc/73/59/78/1440735978.db2.gz KLVTYBRUZXHBER-UHFFFAOYSA-N 2 2 330.476 3.164 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[N@H+](C)CCC(C)(C)C)c[nH+]1 ZINC001755194691 1440776327 /nfs/dbraw/zinc/77/63/27/1440776327.db2.gz YDPLWFDGNFXLBH-QGZVFWFLSA-N 2 2 348.535 3.286 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC(C)(C)C)c[nH+]1 ZINC001755194691 1440776328 /nfs/dbraw/zinc/77/63/28/1440776328.db2.gz YDPLWFDGNFXLBH-QGZVFWFLSA-N 2 2 348.535 3.286 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001755352789 1440828351 /nfs/dbraw/zinc/82/83/51/1440828351.db2.gz NILHHAFFOJFDQQ-UHFFFAOYSA-N 2 2 344.503 3.251 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]CC2=CCCCC2)CCCCC1 ZINC001755352789 1440828352 /nfs/dbraw/zinc/82/83/52/1440828352.db2.gz NILHHAFFOJFDQQ-UHFFFAOYSA-N 2 2 344.503 3.251 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001755450978 1440853459 /nfs/dbraw/zinc/85/34/59/1440853459.db2.gz CJTYYTAYMGKDJW-BZSNNMDCSA-N 2 2 346.519 3.058 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001755450978 1440853460 /nfs/dbraw/zinc/85/34/60/1440853460.db2.gz CJTYYTAYMGKDJW-BZSNNMDCSA-N 2 2 346.519 3.058 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001755450980 1440853565 /nfs/dbraw/zinc/85/35/65/1440853565.db2.gz CJTYYTAYMGKDJW-OKZBNKHCSA-N 2 2 346.519 3.058 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001755450980 1440853566 /nfs/dbraw/zinc/85/35/66/1440853566.db2.gz CJTYYTAYMGKDJW-OKZBNKHCSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CC(C)C1 ZINC001755550115 1440871757 /nfs/dbraw/zinc/87/17/57/1440871757.db2.gz RRTJLGSNQPHEGL-OFLPRAFFSA-N 2 2 342.487 3.115 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH2+]CC1CCC(C)CC1)C(C)C ZINC001755552380 1440872504 /nfs/dbraw/zinc/87/25/04/1440872504.db2.gz JNJAVFYQGMQMOQ-VMWRSERWSA-N 2 2 348.535 3.207 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755562063 1440874743 /nfs/dbraw/zinc/87/47/43/1440874743.db2.gz GJXXTVUOKXPFRQ-RDTXWAMCSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001755613844 1440887948 /nfs/dbraw/zinc/88/79/48/1440887948.db2.gz IDNIWDXYBPWSJA-JKSUJKDBSA-N 2 2 342.487 3.075 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)c(Cl)s3)C[C@H]12 ZINC000261545142 547323893 /nfs/dbraw/zinc/32/38/93/547323893.db2.gz FQHISRPJDAATAC-POZPLHJXSA-N 2 2 335.698 3.333 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)c(Cl)s3)C[C@H]12 ZINC000261545142 547323898 /nfs/dbraw/zinc/32/38/98/547323898.db2.gz FQHISRPJDAATAC-POZPLHJXSA-N 2 2 335.698 3.333 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000356562455 282232158 /nfs/dbraw/zinc/23/21/58/282232158.db2.gz KSNUZCWLMUFZSN-ROUUACIJSA-N 2 2 349.906 3.030 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000187786153 530000863 /nfs/dbraw/zinc/00/08/63/530000863.db2.gz ZKFOKBYNHWYCNC-WOJBJXKFSA-N 2 2 338.499 3.371 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000187786153 530000865 /nfs/dbraw/zinc/00/08/65/530000865.db2.gz ZKFOKBYNHWYCNC-WOJBJXKFSA-N 2 2 338.499 3.371 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCO2 ZINC000152752725 283002354 /nfs/dbraw/zinc/00/23/54/283002354.db2.gz DDWMOMSOCXMZTL-KRWDZBQOSA-N 2 2 329.419 3.405 20 0 EGADLP C[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000187802663 236305211 /nfs/dbraw/zinc/30/52/11/236305211.db2.gz QRDZWOYHFFCUQO-QAPCUYQASA-N 2 2 330.451 3.350 20 0 EGADLP C[NH+](C)Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC000187728908 236285011 /nfs/dbraw/zinc/28/50/11/236285011.db2.gz YMXQWEPECIABJH-IBGZPJMESA-N 2 2 338.430 3.490 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCCO4)CC2)cc1 ZINC000060856778 201144534 /nfs/dbraw/zinc/14/45/34/201144534.db2.gz HKAANGYQENBBSJ-UHFFFAOYSA-N 2 2 338.451 3.212 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000245695472 201153858 /nfs/dbraw/zinc/15/38/58/201153858.db2.gz BHLNKRBRJZVHNP-GTAWCEEGSA-N 2 2 346.540 3.294 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000245695472 201153860 /nfs/dbraw/zinc/15/38/60/201153860.db2.gz BHLNKRBRJZVHNP-GTAWCEEGSA-N 2 2 346.540 3.294 20 0 EGADLP C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276654911 201298216 /nfs/dbraw/zinc/29/82/16/201298216.db2.gz UZROHJUUGAUTGC-FUHWJXTLSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276654911 201298219 /nfs/dbraw/zinc/29/82/19/201298219.db2.gz UZROHJUUGAUTGC-FUHWJXTLSA-N 2 2 341.503 3.033 20 0 EGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000290238308 201335044 /nfs/dbraw/zinc/33/50/44/201335044.db2.gz ZDXRFOAUFYUWSG-LJQANCHMSA-N 2 2 341.503 3.249 20 0 EGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000290238308 201335047 /nfs/dbraw/zinc/33/50/47/201335047.db2.gz ZDXRFOAUFYUWSG-LJQANCHMSA-N 2 2 341.503 3.249 20 0 EGADLP COCCN(C)c1ccc(CNc2c(C)cc([NH+](C)C)cc2C)c[nH+]1 ZINC000191597546 239201959 /nfs/dbraw/zinc/20/19/59/239201959.db2.gz WKKPLCFHZYENCD-UHFFFAOYSA-N 2 2 342.487 3.459 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCCCO)cc3)[nH+]c12 ZINC000193254687 240081229 /nfs/dbraw/zinc/08/12/29/240081229.db2.gz DACBBSLREVYESG-UHFFFAOYSA-N 2 2 339.439 3.084 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000245945766 243175425 /nfs/dbraw/zinc/17/54/25/243175425.db2.gz VRWJUDTZZKAKOG-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000245945766 243175431 /nfs/dbraw/zinc/17/54/31/243175431.db2.gz VRWJUDTZZKAKOG-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090721049 203009547 /nfs/dbraw/zinc/00/95/47/203009547.db2.gz NLSAKUZCNQEZIH-FZMZJTMJSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090721049 203009551 /nfs/dbraw/zinc/00/95/51/203009551.db2.gz NLSAKUZCNQEZIH-FZMZJTMJSA-N 2 2 327.266 3.030 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000072859308 203248482 /nfs/dbraw/zinc/24/84/82/203248482.db2.gz KBCXLCPJZAASSR-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000072859308 203248486 /nfs/dbraw/zinc/24/84/86/203248486.db2.gz KBCXLCPJZAASSR-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859308 203248490 /nfs/dbraw/zinc/24/84/90/203248490.db2.gz KBCXLCPJZAASSR-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859308 203248493 /nfs/dbraw/zinc/24/84/93/203248493.db2.gz KBCXLCPJZAASSR-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000076005046 203330584 /nfs/dbraw/zinc/33/05/84/203330584.db2.gz ATKKXXOSRLMEPG-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000076005046 203330586 /nfs/dbraw/zinc/33/05/86/203330586.db2.gz ATKKXXOSRLMEPG-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000262507225 245008373 /nfs/dbraw/zinc/00/83/73/245008373.db2.gz BPGWCCHBXLDWQL-NWDGAFQWSA-N 2 2 340.402 3.215 20 0 EGADLP Cn1cc[nH+]c1CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000106441788 204195677 /nfs/dbraw/zinc/19/56/77/204195677.db2.gz LBRCHGVYYBCUQK-UHFFFAOYSA-N 2 2 344.462 3.308 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796336 204294169 /nfs/dbraw/zinc/29/41/69/204294169.db2.gz RUWMKFGCTNOBBZ-ZDUSSCGKSA-N 2 2 332.835 3.201 20 0 EGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cccc2ccccc21 ZINC000109794122 204294245 /nfs/dbraw/zinc/29/42/45/204294245.db2.gz SRDUOSVMUMHRSV-UHFFFAOYSA-N 2 2 334.423 3.312 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793994 204294666 /nfs/dbraw/zinc/29/46/66/204294666.db2.gz MYRIJAVRFPQREF-CYBMUJFWSA-N 2 2 332.835 3.201 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000108369205 204259303 /nfs/dbraw/zinc/25/93/03/204259303.db2.gz KBLQKBPHCLBVHE-LJQANCHMSA-N 2 2 348.531 3.186 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000044559111 204304551 /nfs/dbraw/zinc/30/45/51/204304551.db2.gz MAINQPOOHAPGMH-NSHDSACASA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000044559111 204304556 /nfs/dbraw/zinc/30/45/56/204304556.db2.gz MAINQPOOHAPGMH-NSHDSACASA-N 2 2 330.259 3.135 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1OC(F)F ZINC000125468833 205011430 /nfs/dbraw/zinc/01/14/30/205011430.db2.gz DLBMZBCITVOQDU-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1OC(F)F ZINC000125468833 205011434 /nfs/dbraw/zinc/01/14/34/205011434.db2.gz DLBMZBCITVOQDU-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccs1 ZINC000125529248 205014625 /nfs/dbraw/zinc/01/46/25/205014625.db2.gz OTUFFDBISFHQGW-NVXWUHKLSA-N 2 2 326.469 3.453 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246119317 284339433 /nfs/dbraw/zinc/33/94/33/284339433.db2.gz CWNMKOYQQYWFNE-GVDBMIGSSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246119317 284339438 /nfs/dbraw/zinc/33/94/38/284339438.db2.gz CWNMKOYQQYWFNE-GVDBMIGSSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129858434 205215512 /nfs/dbraw/zinc/21/55/12/205215512.db2.gz OWTFSYKTVVYMNX-KVSKMBFKSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129858434 205215514 /nfs/dbraw/zinc/21/55/14/205215514.db2.gz OWTFSYKTVVYMNX-KVSKMBFKSA-N 2 2 340.471 3.410 20 0 EGADLP Cn1c[nH+]cc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131244204 205279240 /nfs/dbraw/zinc/27/92/40/205279240.db2.gz PSFXERLXMHCRRA-KRWDZBQOSA-N 2 2 327.453 3.217 20 0 EGADLP Cn1c[nH+]cc1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131244204 205279244 /nfs/dbraw/zinc/27/92/44/205279244.db2.gz PSFXERLXMHCRRA-KRWDZBQOSA-N 2 2 327.453 3.217 20 0 EGADLP Cn1c[nH+]cc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000131244407 205279367 /nfs/dbraw/zinc/27/93/67/205279367.db2.gz PSFXERLXMHCRRA-QGZVFWFLSA-N 2 2 327.453 3.217 20 0 EGADLP Cn1c[nH+]cc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000131244407 205279371 /nfs/dbraw/zinc/27/93/71/205279371.db2.gz PSFXERLXMHCRRA-QGZVFWFLSA-N 2 2 327.453 3.217 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000156311901 206070254 /nfs/dbraw/zinc/07/02/54/206070254.db2.gz WYHIWXNSPFAQQI-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000156311901 206070256 /nfs/dbraw/zinc/07/02/56/206070256.db2.gz WYHIWXNSPFAQQI-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158904375 206215581 /nfs/dbraw/zinc/21/55/81/206215581.db2.gz NVOSYTMOKRKBNL-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158904375 206215584 /nfs/dbraw/zinc/21/55/84/206215584.db2.gz NVOSYTMOKRKBNL-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158904375 206215586 /nfs/dbraw/zinc/21/55/86/206215586.db2.gz NVOSYTMOKRKBNL-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158904375 206215589 /nfs/dbraw/zinc/21/55/89/206215589.db2.gz NVOSYTMOKRKBNL-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000159314029 206237766 /nfs/dbraw/zinc/23/77/66/206237766.db2.gz AJAMOHRZEIQANX-GFCCVEGCSA-N 2 2 326.868 3.492 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161862898 206373949 /nfs/dbraw/zinc/37/39/49/206373949.db2.gz LLRORPCVIYKHJQ-UHFFFAOYSA-N 3 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161862898 206373954 /nfs/dbraw/zinc/37/39/54/206373954.db2.gz LLRORPCVIYKHJQ-UHFFFAOYSA-N 3 2 326.488 3.178 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CCSCC3)c2C1 ZINC000162207493 206391018 /nfs/dbraw/zinc/39/10/18/206391018.db2.gz WSVUBZOURPYUIM-HNNXBMFYSA-N 2 2 347.528 3.034 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CCSCC3)c2C1 ZINC000162207493 206391023 /nfs/dbraw/zinc/39/10/23/206391023.db2.gz WSVUBZOURPYUIM-HNNXBMFYSA-N 2 2 347.528 3.034 20 0 EGADLP CC(C)n1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000377543235 169039784 /nfs/dbraw/zinc/03/97/84/169039784.db2.gz QGOGUMXGVKQOSX-QGZVFWFLSA-N 2 2 333.524 3.336 20 0 EGADLP CC(C)n1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000377543235 169039787 /nfs/dbraw/zinc/03/97/87/169039787.db2.gz QGOGUMXGVKQOSX-QGZVFWFLSA-N 2 2 333.524 3.336 20 0 EGADLP C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654340 169055255 /nfs/dbraw/zinc/05/52/55/169055255.db2.gz TXJVTPWEYUQNPW-CVEARBPZSA-N 2 2 337.533 3.284 20 0 EGADLP C[C@@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654340 169055256 /nfs/dbraw/zinc/05/52/56/169055256.db2.gz TXJVTPWEYUQNPW-CVEARBPZSA-N 2 2 337.533 3.284 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000268732297 252183011 /nfs/dbraw/zinc/18/30/11/252183011.db2.gz MWDXLOYGIGNYDQ-UHFFFAOYSA-N 3 2 335.923 3.380 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000268866409 252315650 /nfs/dbraw/zinc/31/56/50/252315650.db2.gz SWNIFRGTZRYDKE-GOEBONIOSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000268866409 252315652 /nfs/dbraw/zinc/31/56/52/252315652.db2.gz SWNIFRGTZRYDKE-GOEBONIOSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000345305473 296486354 /nfs/dbraw/zinc/48/63/54/296486354.db2.gz QEEDZVDDDAFRQO-ARALAYPOSA-N 2 2 344.503 3.029 20 0 EGADLP c1cnn(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)c1 ZINC000079080542 135641714 /nfs/dbraw/zinc/64/17/14/135641714.db2.gz URJSNQZNMDNMOW-UHFFFAOYSA-N 2 2 333.439 3.026 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246804565 141035945 /nfs/dbraw/zinc/03/59/45/141035945.db2.gz QVWRQUBLTKQGPX-YJBOKZPZSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246804565 141035946 /nfs/dbraw/zinc/03/59/46/141035946.db2.gz QVWRQUBLTKQGPX-YJBOKZPZSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000246804565 141035947 /nfs/dbraw/zinc/03/59/47/141035947.db2.gz QVWRQUBLTKQGPX-YJBOKZPZSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000246804565 141035948 /nfs/dbraw/zinc/03/59/48/141035948.db2.gz QVWRQUBLTKQGPX-YJBOKZPZSA-N 2 2 340.471 3.427 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246912569 141043000 /nfs/dbraw/zinc/04/30/00/141043000.db2.gz FTGQKLKAXAYJIJ-YWPYICTPSA-N 2 2 328.403 3.115 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246912569 141043003 /nfs/dbraw/zinc/04/30/03/141043003.db2.gz FTGQKLKAXAYJIJ-YWPYICTPSA-N 2 2 328.403 3.115 20 0 EGADLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H]1C ZINC000337858235 141067959 /nfs/dbraw/zinc/06/79/59/141067959.db2.gz ZOBCZHQKSHLLAB-CVEARBPZSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H]1C ZINC000337858235 141067960 /nfs/dbraw/zinc/06/79/60/141067960.db2.gz ZOBCZHQKSHLLAB-CVEARBPZSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000344477571 141160865 /nfs/dbraw/zinc/16/08/65/141160865.db2.gz HGAHQFWBDBXCGC-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000344477571 141160869 /nfs/dbraw/zinc/16/08/69/141160869.db2.gz HGAHQFWBDBXCGC-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000344477571 141160872 /nfs/dbraw/zinc/16/08/72/141160872.db2.gz HGAHQFWBDBXCGC-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000344477571 141160873 /nfs/dbraw/zinc/16/08/73/141160873.db2.gz HGAHQFWBDBXCGC-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000346275338 141189887 /nfs/dbraw/zinc/18/98/87/141189887.db2.gz JQKJRHJCZZNKIM-QTMHVTGLSA-N 2 2 346.519 3.067 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000346275338 141189888 /nfs/dbraw/zinc/18/98/88/141189888.db2.gz JQKJRHJCZZNKIM-QTMHVTGLSA-N 2 2 346.519 3.067 20 0 EGADLP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000346619801 141205941 /nfs/dbraw/zinc/20/59/41/141205941.db2.gz DVFANFZYLVUUEO-GJZGRUSLSA-N 2 2 341.459 3.034 20 0 EGADLP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000346619801 141205942 /nfs/dbraw/zinc/20/59/42/141205942.db2.gz DVFANFZYLVUUEO-GJZGRUSLSA-N 2 2 341.459 3.034 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000348014254 141232186 /nfs/dbraw/zinc/23/21/86/141232186.db2.gz MJPQKVBAYFUONT-MRXNPFEDSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000348028467 141234654 /nfs/dbraw/zinc/23/46/54/141234654.db2.gz UEWXHKFOLUPGPN-IAGOWNOFSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000348028467 141234656 /nfs/dbraw/zinc/23/46/56/141234656.db2.gz UEWXHKFOLUPGPN-IAGOWNOFSA-N 2 2 337.552 3.076 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000348038721 141235229 /nfs/dbraw/zinc/23/52/29/141235229.db2.gz IZYDBJLBQBVABZ-GOSISDBHSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@H]1CCSCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151251 141239550 /nfs/dbraw/zinc/23/95/50/141239550.db2.gz MUFHWPJJSIYYPT-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CCSCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151251 141239553 /nfs/dbraw/zinc/23/95/53/141239553.db2.gz MUFHWPJJSIYYPT-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CCSCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348151251 141239555 /nfs/dbraw/zinc/23/95/55/141239555.db2.gz MUFHWPJJSIYYPT-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CCSCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348151251 141239558 /nfs/dbraw/zinc/23/95/58/141239558.db2.gz MUFHWPJJSIYYPT-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000677806809 549334419 /nfs/dbraw/zinc/33/44/19/549334419.db2.gz OXKGRWYWNWOJIF-LEWJYISDSA-N 2 2 338.495 3.233 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000677806809 549334421 /nfs/dbraw/zinc/33/44/21/549334421.db2.gz OXKGRWYWNWOJIF-LEWJYISDSA-N 2 2 338.495 3.233 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)o1 ZINC000353349529 141292693 /nfs/dbraw/zinc/29/26/93/141292693.db2.gz JWUUGOZVVKDSBU-UHFFFAOYSA-N 2 2 346.446 3.283 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)o1 ZINC000353349529 141292694 /nfs/dbraw/zinc/29/26/94/141292694.db2.gz JWUUGOZVVKDSBU-UHFFFAOYSA-N 2 2 346.446 3.283 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccccc2)s1)C1CC[NH+](CCO)CC1 ZINC000353357461 141294611 /nfs/dbraw/zinc/29/46/11/141294611.db2.gz XLKSJKHJLNXEQM-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccccc2)s1)C1CC[NH+](CCO)CC1 ZINC000353357461 141294614 /nfs/dbraw/zinc/29/46/14/141294614.db2.gz XLKSJKHJLNXEQM-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445988 141298052 /nfs/dbraw/zinc/29/80/52/141298052.db2.gz FDVRBXKXUFLSSR-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445988 141298053 /nfs/dbraw/zinc/29/80/53/141298053.db2.gz FDVRBXKXUFLSSR-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP CC[C@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1(C(=O)OC)CCC1 ZINC000353533435 141305662 /nfs/dbraw/zinc/30/56/62/141305662.db2.gz FRLNFEGLRCTKHP-KRWDZBQOSA-N 2 2 329.444 3.056 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833784 141351218 /nfs/dbraw/zinc/35/12/18/141351218.db2.gz BTZYRSMNGGVIDB-JKSUJKDBSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833784 141351220 /nfs/dbraw/zinc/35/12/20/141351220.db2.gz BTZYRSMNGGVIDB-JKSUJKDBSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)nnn1-c1ccccc1 ZINC000359605150 141384413 /nfs/dbraw/zinc/38/44/13/141384413.db2.gz XFCOXYFGNMTGKC-KRWDZBQOSA-N 2 2 341.503 3.348 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000184733793 144097947 /nfs/dbraw/zinc/09/79/47/144097947.db2.gz TZETYUSJOPTZQK-INIZCTEOSA-N 2 2 335.455 3.265 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000184733793 144097948 /nfs/dbraw/zinc/09/79/48/144097948.db2.gz TZETYUSJOPTZQK-INIZCTEOSA-N 2 2 335.455 3.265 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@@H+]1C ZINC000344631867 144202416 /nfs/dbraw/zinc/20/24/16/144202416.db2.gz PCZJNXGHRKPEBH-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@H+]1C ZINC000344631867 144202417 /nfs/dbraw/zinc/20/24/17/144202417.db2.gz PCZJNXGHRKPEBH-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP CC[N@H+](CC(=O)NCCC[NH+](C)C(C)C)Cc1ccccc1Cl ZINC000351357579 144262971 /nfs/dbraw/zinc/26/29/71/144262971.db2.gz XPCMLZNAMDRGBX-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[N@@H+](CC(=O)NCCC[NH+](C)C(C)C)Cc1ccccc1Cl ZINC000351357579 144262973 /nfs/dbraw/zinc/26/29/73/144262973.db2.gz XPCMLZNAMDRGBX-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[NH+](CC(=O)NCCC[N@H+](C)C(C)C)Cc1ccccc1Cl ZINC000351357579 144262975 /nfs/dbraw/zinc/26/29/75/144262975.db2.gz XPCMLZNAMDRGBX-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[NH+](CC(=O)NCCC[N@@H+](C)C(C)C)Cc1ccccc1Cl ZINC000351357579 144262976 /nfs/dbraw/zinc/26/29/76/144262976.db2.gz XPCMLZNAMDRGBX-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000351513739 144272507 /nfs/dbraw/zinc/27/25/07/144272507.db2.gz MHMMTCDLYJIGFX-UHFFFAOYSA-N 2 2 337.508 3.295 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000351601110 144286093 /nfs/dbraw/zinc/28/60/93/144286093.db2.gz GOANCIQTMDXJFO-UHFFFAOYSA-N 2 2 346.478 3.359 20 0 EGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCC(F)(F)F ZINC000351871690 144318387 /nfs/dbraw/zinc/31/83/87/144318387.db2.gz VMARZADBMUEJGL-UHFFFAOYSA-N 2 2 329.410 3.083 20 0 EGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCC(F)(F)F ZINC000351871690 144318389 /nfs/dbraw/zinc/31/83/89/144318389.db2.gz VMARZADBMUEJGL-UHFFFAOYSA-N 2 2 329.410 3.083 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)n21 ZINC000352288337 144323218 /nfs/dbraw/zinc/32/32/18/144323218.db2.gz ZUORDPKMBIOOPY-KURKYZTESA-N 2 2 326.488 3.480 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341121725 155171197 /nfs/dbraw/zinc/17/11/97/155171197.db2.gz FOWRRARRAMVOKC-AWEZNQCLSA-N 2 2 343.406 3.079 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341121725 155171201 /nfs/dbraw/zinc/17/12/01/155171201.db2.gz FOWRRARRAMVOKC-AWEZNQCLSA-N 2 2 343.406 3.079 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)n2)cc1 ZINC000246561677 286265374 /nfs/dbraw/zinc/26/53/74/286265374.db2.gz HGWNFAJXAFRFBV-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)n2)cc1 ZINC000246561677 286265376 /nfs/dbraw/zinc/26/53/76/286265376.db2.gz HGWNFAJXAFRFBV-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000246561677 286265377 /nfs/dbraw/zinc/26/53/77/286265377.db2.gz HGWNFAJXAFRFBV-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000246561677 286265378 /nfs/dbraw/zinc/26/53/78/286265378.db2.gz HGWNFAJXAFRFBV-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP Cc1cc(OCC[NH+]2CCC([N@H+](C)CCCO)CC2)ccc1C(C)C ZINC000115547674 152016386 /nfs/dbraw/zinc/01/63/86/152016386.db2.gz YVGOBZMVDRUJPR-UHFFFAOYSA-N 2 2 348.531 3.276 20 0 EGADLP Cc1cc(OCC[NH+]2CCC([N@@H+](C)CCCO)CC2)ccc1C(C)C ZINC000115547674 152016390 /nfs/dbraw/zinc/01/63/90/152016390.db2.gz YVGOBZMVDRUJPR-UHFFFAOYSA-N 2 2 348.531 3.276 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000118755269 152150423 /nfs/dbraw/zinc/15/04/23/152150423.db2.gz APMIKAMCPHYUBA-UHFFFAOYSA-N 2 2 328.460 3.029 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC000119014867 152166456 /nfs/dbraw/zinc/16/64/56/152166456.db2.gz ZWPZPZDEWQGYNI-INIZCTEOSA-N 2 2 336.549 3.130 20 0 EGADLP Cc1cc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119350982 152197578 /nfs/dbraw/zinc/19/75/78/152197578.db2.gz NLIMWNFEABVNKL-MRXNPFEDSA-N 2 2 326.444 3.422 20 0 EGADLP Cc1cc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119350982 152197582 /nfs/dbraw/zinc/19/75/82/152197582.db2.gz NLIMWNFEABVNKL-MRXNPFEDSA-N 2 2 326.444 3.422 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1C ZINC000120191767 152257923 /nfs/dbraw/zinc/25/79/23/152257923.db2.gz VZPXFJHNKCILJI-MRXNPFEDSA-N 2 2 345.468 3.160 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)s1 ZINC000120884138 152308426 /nfs/dbraw/zinc/30/84/26/152308426.db2.gz VUMUVFPPBDHHOR-UHFFFAOYSA-N 2 2 345.516 3.015 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000189425126 153068639 /nfs/dbraw/zinc/06/86/39/153068639.db2.gz DDYVUWWTRNSXSF-CYBMUJFWSA-N 2 2 344.368 3.008 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000189425126 153068641 /nfs/dbraw/zinc/06/86/41/153068641.db2.gz DDYVUWWTRNSXSF-CYBMUJFWSA-N 2 2 344.368 3.008 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189755711 153094708 /nfs/dbraw/zinc/09/47/08/153094708.db2.gz DIPFUKYNUHDGOI-YTQUADARSA-N 2 2 337.552 3.218 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189755711 153094712 /nfs/dbraw/zinc/09/47/12/153094712.db2.gz DIPFUKYNUHDGOI-YTQUADARSA-N 2 2 337.552 3.218 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000190755455 153157929 /nfs/dbraw/zinc/15/79/29/153157929.db2.gz WRSGQLIFHOMOSF-HXUWFJFHSA-N 2 2 338.499 3.292 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000190755455 153157933 /nfs/dbraw/zinc/15/79/33/153157933.db2.gz WRSGQLIFHOMOSF-HXUWFJFHSA-N 2 2 338.499 3.292 20 0 EGADLP CCN(C)c1ccc(CNc2ccnn2C2CC[NH+](CC)CC2)c[nH+]1 ZINC000190934723 153166517 /nfs/dbraw/zinc/16/65/17/153166517.db2.gz LVMMXSFMQCMDIC-UHFFFAOYSA-N 2 2 342.491 3.003 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000191092434 153174930 /nfs/dbraw/zinc/17/49/30/153174930.db2.gz VAXCPRUALLTACX-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1ccc([C@@H](CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000195011018 153370625 /nfs/dbraw/zinc/37/06/25/153370625.db2.gz FOAYKANJSPVLMT-MOPGFXCFSA-N 2 2 335.455 3.095 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1OC(F)F ZINC000261715035 153709757 /nfs/dbraw/zinc/70/97/57/153709757.db2.gz QBHMRDXNZCEGQZ-UHFFFAOYSA-N 2 2 340.414 3.261 20 0 EGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000305138061 154084860 /nfs/dbraw/zinc/08/48/60/154084860.db2.gz PDUVWZAXOVIISN-AWEZNQCLSA-N 2 2 342.430 3.094 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400693 154335153 /nfs/dbraw/zinc/33/51/53/154335153.db2.gz LENOXSDBYNWNMT-WPTTZPOMSA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400693 154335156 /nfs/dbraw/zinc/33/51/56/154335156.db2.gz LENOXSDBYNWNMT-WPTTZPOMSA-N 2 2 336.426 3.022 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C1 ZINC000343438756 155813193 /nfs/dbraw/zinc/81/31/93/155813193.db2.gz FXVTXAKDTPDOPD-GUDVDZBRSA-N 2 2 331.504 3.117 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308091 156048757 /nfs/dbraw/zinc/04/87/57/156048757.db2.gz HJSZCVWLPIPNIW-QZTJIDSGSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308091 156048760 /nfs/dbraw/zinc/04/87/60/156048760.db2.gz HJSZCVWLPIPNIW-QZTJIDSGSA-N 2 2 349.906 3.111 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)ccc1OC(F)F ZINC000346813012 156146582 /nfs/dbraw/zinc/14/65/82/156146582.db2.gz YDBHYRROMKAPCC-SCRDCRAPSA-N 2 2 328.403 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)ccc1OC(F)F ZINC000346813012 156146587 /nfs/dbraw/zinc/14/65/87/156146587.db2.gz YDBHYRROMKAPCC-SCRDCRAPSA-N 2 2 328.403 3.430 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347014848 156249678 /nfs/dbraw/zinc/24/96/78/156249678.db2.gz ABSVEXAZBKJLIW-CYBMUJFWSA-N 2 2 334.357 3.198 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347014848 156249680 /nfs/dbraw/zinc/24/96/80/156249680.db2.gz ABSVEXAZBKJLIW-CYBMUJFWSA-N 2 2 334.357 3.198 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358301444 156797014 /nfs/dbraw/zinc/79/70/14/156797014.db2.gz RBJWDKBDWFPERP-UKRRQHHQSA-N 2 2 347.450 3.177 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358301444 156797016 /nfs/dbraw/zinc/79/70/16/156797016.db2.gz RBJWDKBDWFPERP-UKRRQHHQSA-N 2 2 347.450 3.177 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000365647904 157202620 /nfs/dbraw/zinc/20/26/20/157202620.db2.gz GKHQEGBQQLHUPW-OAHLLOKOSA-N 2 2 339.418 3.125 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000365647904 157202621 /nfs/dbraw/zinc/20/26/21/157202621.db2.gz GKHQEGBQQLHUPW-OAHLLOKOSA-N 2 2 339.418 3.125 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365677815 157215096 /nfs/dbraw/zinc/21/50/96/157215096.db2.gz LPLPQTDNZIMTKC-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365677815 157215099 /nfs/dbraw/zinc/21/50/99/157215099.db2.gz LPLPQTDNZIMTKC-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ncc(Br)cc1F ZINC000368752334 157279747 /nfs/dbraw/zinc/27/97/47/157279747.db2.gz BKQUIPMESYBPKD-CYZMBNFOSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ncc(Br)cc1F ZINC000368752334 157279748 /nfs/dbraw/zinc/27/97/48/157279748.db2.gz BKQUIPMESYBPKD-CYZMBNFOSA-N 2 2 342.256 3.261 20 0 EGADLP CN(Cc1cc(Cl)ccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372736585 157374026 /nfs/dbraw/zinc/37/40/26/157374026.db2.gz HMMOOTWVPLDDAY-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1cc(Cl)ccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372736585 157374028 /nfs/dbraw/zinc/37/40/28/157374028.db2.gz HMMOOTWVPLDDAY-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372736585 157374031 /nfs/dbraw/zinc/37/40/31/157374031.db2.gz HMMOOTWVPLDDAY-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372736585 157374033 /nfs/dbraw/zinc/37/40/33/157374033.db2.gz HMMOOTWVPLDDAY-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CCC[NH+]1CCC(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000114178489 162224261 /nfs/dbraw/zinc/22/42/61/162224261.db2.gz ZCUPBLRECSCSNZ-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP CCOc1c(C[N@H+](C)C2CC[NH+](CC)CC2)c(C)nn1CC(C)C ZINC000125196809 162267083 /nfs/dbraw/zinc/26/70/83/162267083.db2.gz ISVNQKFTIBCTLW-UHFFFAOYSA-N 2 2 336.524 3.162 20 0 EGADLP CCOc1c(C[N@@H+](C)C2CC[NH+](CC)CC2)c(C)nn1CC(C)C ZINC000125196809 162267087 /nfs/dbraw/zinc/26/70/87/162267087.db2.gz ISVNQKFTIBCTLW-UHFFFAOYSA-N 2 2 336.524 3.162 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140114 162391853 /nfs/dbraw/zinc/39/18/53/162391853.db2.gz IHMQGAJMJUYQIK-MAZHCROVSA-N 2 2 330.394 3.465 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140114 162391857 /nfs/dbraw/zinc/39/18/57/162391857.db2.gz IHMQGAJMJUYQIK-MAZHCROVSA-N 2 2 330.394 3.465 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000131221989 162394318 /nfs/dbraw/zinc/39/43/18/162394318.db2.gz YORVKLREIIUYFO-YOEHRIQHSA-N 2 2 333.863 3.062 20 0 EGADLP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000249092932 163055252 /nfs/dbraw/zinc/05/52/52/163055252.db2.gz OGJCWGQFJNCAMK-OQUMVOOASA-N 2 2 331.504 3.087 20 0 EGADLP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000249092932 163055255 /nfs/dbraw/zinc/05/52/55/163055255.db2.gz OGJCWGQFJNCAMK-OQUMVOOASA-N 2 2 331.504 3.087 20 0 EGADLP CCCCc1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)n1 ZINC000337044889 163114057 /nfs/dbraw/zinc/11/40/57/163114057.db2.gz FBNCDNBWDDIXPW-USXIJHARSA-N 2 2 328.460 3.148 20 0 EGADLP CCCCc1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)n1 ZINC000337044889 163114058 /nfs/dbraw/zinc/11/40/58/163114058.db2.gz FBNCDNBWDDIXPW-USXIJHARSA-N 2 2 328.460 3.148 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745213 164024307 /nfs/dbraw/zinc/02/43/07/164024307.db2.gz RZAODEBTLRCXQI-APWZRJJASA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745213 164024310 /nfs/dbraw/zinc/02/43/10/164024310.db2.gz RZAODEBTLRCXQI-APWZRJJASA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745213 164024312 /nfs/dbraw/zinc/02/43/12/164024312.db2.gz RZAODEBTLRCXQI-APWZRJJASA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745213 164024314 /nfs/dbraw/zinc/02/43/14/164024314.db2.gz RZAODEBTLRCXQI-APWZRJJASA-N 2 2 347.478 3.127 20 0 EGADLP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000343761878 164029179 /nfs/dbraw/zinc/02/91/79/164029179.db2.gz ILZUGPYBWZIAOK-FXAWDEMLSA-N 2 2 327.516 3.428 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCC2 ZINC000344034106 164087112 /nfs/dbraw/zinc/08/71/12/164087112.db2.gz NFCZDAKUXVRALD-SJORKVTESA-N 2 2 338.561 3.285 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000344338582 164159950 /nfs/dbraw/zinc/15/99/50/164159950.db2.gz XOMRJXSGLFMGIN-RLLQIKCJSA-N 2 2 342.483 3.480 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000344338582 164159954 /nfs/dbraw/zinc/15/99/54/164159954.db2.gz XOMRJXSGLFMGIN-RLLQIKCJSA-N 2 2 342.483 3.480 20 0 EGADLP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000345946506 164302218 /nfs/dbraw/zinc/30/22/18/164302218.db2.gz GIMLYUYQRFOLID-HOTGVXAUSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000345946506 164302219 /nfs/dbraw/zinc/30/22/19/164302219.db2.gz GIMLYUYQRFOLID-HOTGVXAUSA-N 2 2 339.439 3.429 20 0 EGADLP CCOC(=O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000346171079 164355613 /nfs/dbraw/zinc/35/56/13/164355613.db2.gz NUGKMXSWWKVAQP-UHFFFAOYSA-N 2 2 333.457 3.242 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000346171079 164355615 /nfs/dbraw/zinc/35/56/15/164355615.db2.gz NUGKMXSWWKVAQP-UHFFFAOYSA-N 2 2 333.457 3.242 20 0 EGADLP CCn1cc([C@@H]2OCCC[C@@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cn1 ZINC000354850623 166047761 /nfs/dbraw/zinc/04/77/61/166047761.db2.gz MLTVXLITPKGKDA-OALUTQOASA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543543 164394117 /nfs/dbraw/zinc/39/41/17/164394117.db2.gz XJSMMCFRIHERSF-XOKHGSTOSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543543 164394119 /nfs/dbraw/zinc/39/41/19/164394119.db2.gz XJSMMCFRIHERSF-XOKHGSTOSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543543 164394122 /nfs/dbraw/zinc/39/41/22/164394122.db2.gz XJSMMCFRIHERSF-XOKHGSTOSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543543 164394123 /nfs/dbraw/zinc/39/41/23/164394123.db2.gz XJSMMCFRIHERSF-XOKHGSTOSA-N 2 2 343.437 3.238 20 0 EGADLP C[NH+](C)Cc1cc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)ccc1F ZINC000350402440 165042305 /nfs/dbraw/zinc/04/23/05/165042305.db2.gz FRXYJKIEULXIIO-HNNXBMFYSA-N 2 2 341.390 3.060 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350950488 165086190 /nfs/dbraw/zinc/08/61/90/165086190.db2.gz NBGDCGCZPVRMSQ-LBPRGKRZSA-N 2 2 341.858 3.080 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(NC(=O)c3ccccc3)CC2)c[nH+]1 ZINC000351320784 165097431 /nfs/dbraw/zinc/09/74/31/165097431.db2.gz AYGGFZUIJSGWAT-UHFFFAOYSA-N 2 2 337.467 3.217 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000351588750 165101891 /nfs/dbraw/zinc/10/18/91/165101891.db2.gz KAYNNYCIIXWLGR-SDXDJHTJSA-N 2 2 346.515 3.015 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000351588750 165101893 /nfs/dbraw/zinc/10/18/93/165101893.db2.gz KAYNNYCIIXWLGR-SDXDJHTJSA-N 2 2 346.515 3.015 20 0 EGADLP CCc1noc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430545 165399402 /nfs/dbraw/zinc/39/94/02/165399402.db2.gz HAIMYCLUJJYNQW-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430545 165399404 /nfs/dbraw/zinc/39/94/04/165399404.db2.gz HAIMYCLUJJYNQW-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430545 165399409 /nfs/dbraw/zinc/39/94/09/165399409.db2.gz HAIMYCLUJJYNQW-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430545 165399410 /nfs/dbraw/zinc/39/94/10/165399410.db2.gz HAIMYCLUJJYNQW-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@H](c1ncc(C(C)(C)C)o1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355077699 166101445 /nfs/dbraw/zinc/10/14/45/166101445.db2.gz ZKYLMBRHAFMKPP-HZPDHXFCSA-N 2 2 348.535 3.133 20 0 EGADLP C[C@H](c1ncc(C(C)(C)C)o1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355077699 166101448 /nfs/dbraw/zinc/10/14/48/166101448.db2.gz ZKYLMBRHAFMKPP-HZPDHXFCSA-N 2 2 348.535 3.133 20 0 EGADLP CCC(CC)[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)N1CCOCC1 ZINC000353932563 165924419 /nfs/dbraw/zinc/92/44/19/165924419.db2.gz MWGVQSCVXCEJMW-FQEVSTJZSA-N 2 2 333.520 3.049 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358949707 167015881 /nfs/dbraw/zinc/01/58/81/167015881.db2.gz IUGMPTIGOWWXPT-XHSDSOJGSA-N 2 2 331.460 3.100 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358949707 167015884 /nfs/dbraw/zinc/01/58/84/167015884.db2.gz IUGMPTIGOWWXPT-XHSDSOJGSA-N 2 2 331.460 3.100 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359304448 167120091 /nfs/dbraw/zinc/12/00/91/167120091.db2.gz GYVAIULXVQGWPM-FUHWJXTLSA-N 2 2 349.500 3.257 20 0 EGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000360484476 167339515 /nfs/dbraw/zinc/33/95/15/167339515.db2.gz QYEPPRGAGNGRSG-SFHVURJKSA-N 2 2 347.422 3.075 20 0 EGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000360484476 167339519 /nfs/dbraw/zinc/33/95/19/167339519.db2.gz QYEPPRGAGNGRSG-SFHVURJKSA-N 2 2 347.422 3.075 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218721 168095432 /nfs/dbraw/zinc/09/54/32/168095432.db2.gz MJDYMRKYCBVIEL-UAGQMJEPSA-N 2 2 340.414 3.192 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000366794338 168141632 /nfs/dbraw/zinc/14/16/32/168141632.db2.gz ZGOSGHJRTVEHAS-RTBURBONSA-N 2 2 326.488 3.168 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000366794338 168141635 /nfs/dbraw/zinc/14/16/35/168141635.db2.gz ZGOSGHJRTVEHAS-RTBURBONSA-N 2 2 326.488 3.168 20 0 EGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000367093976 168179049 /nfs/dbraw/zinc/17/90/49/168179049.db2.gz NMWDJNKNSNXEHK-IRXDYDNUSA-N 2 2 326.550 3.143 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c[nH+]1 ZINC000367303784 168204404 /nfs/dbraw/zinc/20/44/04/168204404.db2.gz XQVVUYYJFBYGBH-GOSISDBHSA-N 2 2 344.503 3.096 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccnn2C)c1 ZINC000367341884 168210959 /nfs/dbraw/zinc/21/09/59/168210959.db2.gz IDMMECRDMYGIHY-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccnn2C)c1 ZINC000367341884 168210960 /nfs/dbraw/zinc/21/09/60/168210960.db2.gz IDMMECRDMYGIHY-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP COc1cccc(C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)c1 ZINC000367438558 168226219 /nfs/dbraw/zinc/22/62/19/168226219.db2.gz NSVOAKOQCXBZCN-IBGZPJMESA-N 2 2 325.456 3.339 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367699249 168259416 /nfs/dbraw/zinc/25/94/16/168259416.db2.gz GYAJAYIRSBDSSG-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367699249 168259417 /nfs/dbraw/zinc/25/94/17/168259417.db2.gz GYAJAYIRSBDSSG-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)nn1 ZINC000367952339 168287352 /nfs/dbraw/zinc/28/73/52/168287352.db2.gz OWDQCRWNSGRMJZ-UHFFFAOYSA-N 2 2 344.422 3.051 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000677845590 549341228 /nfs/dbraw/zinc/34/12/28/549341228.db2.gz IJOGPLQMZXLXDH-FUHWJXTLSA-N 2 2 334.504 3.489 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122875744 222174337 /nfs/dbraw/zinc/17/43/37/222174337.db2.gz VVUDTRHNGHJGBI-CXAGYDPISA-N 2 2 346.862 3.367 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122875744 222174340 /nfs/dbraw/zinc/17/43/40/222174340.db2.gz VVUDTRHNGHJGBI-CXAGYDPISA-N 2 2 346.862 3.367 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(C)no1 ZINC000677891750 549352463 /nfs/dbraw/zinc/35/24/63/549352463.db2.gz PTEKYTCFJSZRCM-CQSZACIVSA-N 2 2 329.448 3.073 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(C)no1 ZINC000677891750 549352465 /nfs/dbraw/zinc/35/24/65/549352465.db2.gz PTEKYTCFJSZRCM-CQSZACIVSA-N 2 2 329.448 3.073 20 0 EGADLP COCc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)o1 ZINC000269628275 266330373 /nfs/dbraw/zinc/33/03/73/266330373.db2.gz SRYQENLQQIDZAC-OAHLLOKOSA-N 2 2 329.444 3.136 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000270092782 266417675 /nfs/dbraw/zinc/41/76/75/266417675.db2.gz XPMRZSORWCQFFF-CQSZACIVSA-N 2 2 332.411 3.285 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1Cl ZINC000272202121 266791286 /nfs/dbraw/zinc/79/12/86/266791286.db2.gz JEGUUPOFWNZSKC-UKRRQHHQSA-N 2 2 345.878 3.443 20 0 EGADLP Cc1cnc([C@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000273436365 267039339 /nfs/dbraw/zinc/03/93/39/267039339.db2.gz YMDKYTAXHJMYGL-GJZGRUSLSA-N 2 2 344.484 3.130 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000274364109 267224911 /nfs/dbraw/zinc/22/49/11/267224911.db2.gz IZQMPICWMKFOKW-CQSZACIVSA-N 2 2 339.468 3.068 20 0 EGADLP CCn1nc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000274424886 267234715 /nfs/dbraw/zinc/23/47/15/267234715.db2.gz LGZGXYDBUDHRSW-UHFFFAOYSA-N 2 2 349.482 3.205 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cn1 ZINC000274745074 267280133 /nfs/dbraw/zinc/28/01/33/267280133.db2.gz ARUHFQZHEFXJPE-KKXDTOCCSA-N 2 2 337.895 3.154 20 0 EGADLP C[C@H]([NH2+][C@@H](CCO)c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274792378 267288060 /nfs/dbraw/zinc/28/80/60/267288060.db2.gz SAHQVWXFIOHWIK-UHOSZYNNSA-N 2 2 328.456 3.203 20 0 EGADLP C[C@H]([NH2+][C@@H](CCO)c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274792378 267288063 /nfs/dbraw/zinc/28/80/63/267288063.db2.gz SAHQVWXFIOHWIK-UHOSZYNNSA-N 2 2 328.456 3.203 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000274845784 267296233 /nfs/dbraw/zinc/29/62/33/267296233.db2.gz DVAXNBNHTUWCFX-KRWDZBQOSA-N 2 2 337.826 3.448 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000274845784 267296236 /nfs/dbraw/zinc/29/62/36/267296236.db2.gz DVAXNBNHTUWCFX-KRWDZBQOSA-N 2 2 337.826 3.448 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cn1 ZINC000274945206 267310362 /nfs/dbraw/zinc/31/03/62/267310362.db2.gz UEMRTPZZEPBMFP-OAHLLOKOSA-N 2 2 345.874 3.418 20 0 EGADLP C[C@H](c1cccnc1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565937 268039825 /nfs/dbraw/zinc/03/98/25/268039825.db2.gz IUZJCBBIBVSION-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565937 268039828 /nfs/dbraw/zinc/03/98/28/268039828.db2.gz IUZJCBBIBVSION-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1cccnc1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278565937 268039831 /nfs/dbraw/zinc/03/98/31/268039831.db2.gz IUZJCBBIBVSION-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1cccnc1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278565937 268039834 /nfs/dbraw/zinc/03/98/34/268039834.db2.gz IUZJCBBIBVSION-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000358019770 274276437 /nfs/dbraw/zinc/27/64/37/274276437.db2.gz CUSDQLRJYYAUBM-LBPRGKRZSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000358019770 274276438 /nfs/dbraw/zinc/27/64/38/274276438.db2.gz CUSDQLRJYYAUBM-LBPRGKRZSA-N 2 2 331.287 3.443 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000090913903 275153736 /nfs/dbraw/zinc/15/37/36/275153736.db2.gz TXJROAUXBNHOMW-URVUXULASA-N 2 2 336.479 3.207 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CC2 ZINC000090913903 275153737 /nfs/dbraw/zinc/15/37/37/275153737.db2.gz TXJROAUXBNHOMW-URVUXULASA-N 2 2 336.479 3.207 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275002130 275248904 /nfs/dbraw/zinc/24/89/04/275248904.db2.gz NZNWCCCCBZVUIU-UHFFFAOYSA-N 2 2 328.859 3.458 20 0 EGADLP c1nc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000278739422 275270439 /nfs/dbraw/zinc/27/04/39/275270439.db2.gz MKBIUPDNTRLBPZ-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP OC[C@@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000279635759 275345810 /nfs/dbraw/zinc/34/58/10/275345810.db2.gz CLPVOHFEIBBXIR-GOSISDBHSA-N 2 2 336.907 3.445 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000279670844 275348507 /nfs/dbraw/zinc/34/85/07/275348507.db2.gz FEIIVWXVSWXYOB-MRXNPFEDSA-N 2 2 335.473 3.133 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000279670844 275348509 /nfs/dbraw/zinc/34/85/09/275348509.db2.gz FEIIVWXVSWXYOB-MRXNPFEDSA-N 2 2 335.473 3.133 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1C ZINC000280057143 275398691 /nfs/dbraw/zinc/39/86/91/275398691.db2.gz WNISONUWOSGFMD-QRTARXTBSA-N 2 2 345.418 3.079 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)COCC(C)C)CC1 ZINC000280141491 275411443 /nfs/dbraw/zinc/41/14/43/275411443.db2.gz CBOVLDYIPNGNTR-SFHVURJKSA-N 2 2 345.487 3.015 20 0 EGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1-n1ccnn1 ZINC000286141223 275956663 /nfs/dbraw/zinc/95/66/63/275956663.db2.gz OXSWNYLDMRNOFN-HNNXBMFYSA-N 2 2 346.438 3.427 20 0 EGADLP [NH3+]CC[C@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000286175751 275961689 /nfs/dbraw/zinc/96/16/89/275961689.db2.gz REVCDMDERVAPJW-MRXNPFEDSA-N 2 2 325.412 3.217 20 0 EGADLP CC(C)c1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000354947338 276048913 /nfs/dbraw/zinc/04/89/13/276048913.db2.gz MJWMOHBNAKVHJZ-KRWDZBQOSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000354947338 276048914 /nfs/dbraw/zinc/04/89/14/276048914.db2.gz MJWMOHBNAKVHJZ-KRWDZBQOSA-N 2 2 343.515 3.051 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000286842743 276049234 /nfs/dbraw/zinc/04/92/34/276049234.db2.gz FERLPYXMVPQZDB-CJNGLKHVSA-N 2 2 341.377 3.434 20 0 EGADLP C[NH+](C)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000287195073 276095082 /nfs/dbraw/zinc/09/50/82/276095082.db2.gz VZXKYSGXICBERL-MRXNPFEDSA-N 2 2 341.293 3.068 20 0 EGADLP COc1ccncc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000287927613 276170007 /nfs/dbraw/zinc/17/00/07/276170007.db2.gz WNPUWMOGSNQXDK-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccncc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000287927613 276170008 /nfs/dbraw/zinc/17/00/08/276170008.db2.gz WNPUWMOGSNQXDK-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000289200863 276303654 /nfs/dbraw/zinc/30/36/54/276303654.db2.gz VLHUVHGNEKXWHK-KRWDZBQOSA-N 2 2 333.476 3.312 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000289221272 276306438 /nfs/dbraw/zinc/30/64/38/276306438.db2.gz JICYTSSMCQLDME-GOSISDBHSA-N 2 2 339.483 3.447 20 0 EGADLP Cn1c[nH+]cc1CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000289461858 276342674 /nfs/dbraw/zinc/34/26/74/276342674.db2.gz OKZIEGGULHVCPO-UHFFFAOYSA-N 2 2 340.393 3.003 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000289493111 276347499 /nfs/dbraw/zinc/34/74/99/276347499.db2.gz ZDERIXAUBVEVMA-UHFFFAOYSA-N 2 2 334.460 3.355 20 0 EGADLP CC(C)n1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000289741082 276386470 /nfs/dbraw/zinc/38/64/70/276386470.db2.gz NIAMQFRAEYRZNX-QGZVFWFLSA-N 2 2 341.503 3.381 20 0 EGADLP CC(C)n1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000289741082 276386471 /nfs/dbraw/zinc/38/64/71/276386471.db2.gz NIAMQFRAEYRZNX-QGZVFWFLSA-N 2 2 341.503 3.381 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)[NH+]2CCCC2)cc1 ZINC000289779413 276392897 /nfs/dbraw/zinc/39/28/97/276392897.db2.gz NVQPERYLRVXQDK-HKUYNNGSSA-N 2 2 341.503 3.137 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000291026250 276576828 /nfs/dbraw/zinc/57/68/28/276576828.db2.gz ICYAQQIYSGEKBM-UHFFFAOYSA-N 2 2 344.455 3.248 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cn1 ZINC000305829815 276583621 /nfs/dbraw/zinc/58/36/21/276583621.db2.gz NTRSOBSHGCXWGH-UHOSZYNNSA-N 2 2 335.467 3.029 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000170709583 276772300 /nfs/dbraw/zinc/77/23/00/276772300.db2.gz YXYAYGHKWRRGQB-MRXNPFEDSA-N 2 2 327.432 3.230 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087924 278054701 /nfs/dbraw/zinc/05/47/01/278054701.db2.gz SNJWDSDQVGDNKU-SJORKVTESA-N 2 2 343.515 3.413 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357087924 278054703 /nfs/dbraw/zinc/05/47/03/278054703.db2.gz SNJWDSDQVGDNKU-SJORKVTESA-N 2 2 343.515 3.413 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000154864851 288044590 /nfs/dbraw/zinc/04/45/90/288044590.db2.gz IXHJIUZPEBWMOK-HOJAQTOUSA-N 2 2 332.488 3.237 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002611 279214017 /nfs/dbraw/zinc/21/40/17/279214017.db2.gz HKLOTICPKDXLKH-IIBYNOLFSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002611 279214020 /nfs/dbraw/zinc/21/40/20/279214020.db2.gz HKLOTICPKDXLKH-IIBYNOLFSA-N 2 2 340.515 3.462 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988506 289274550 /nfs/dbraw/zinc/27/45/50/289274550.db2.gz BOQBPKSHMIZGAF-IXDOHACOSA-N 2 2 349.544 3.216 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988506 289274551 /nfs/dbraw/zinc/27/45/51/289274551.db2.gz BOQBPKSHMIZGAF-IXDOHACOSA-N 2 2 349.544 3.216 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000347994003 302288830 /nfs/dbraw/zinc/28/88/30/302288830.db2.gz DDOIPALVVIPJAV-ZWKOTPCHSA-N 2 2 334.410 3.150 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414110174 309061517 /nfs/dbraw/zinc/06/15/17/309061517.db2.gz HWOQSIYYNBQKNL-NZSAHSFTSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414110174 309061518 /nfs/dbraw/zinc/06/15/18/309061518.db2.gz HWOQSIYYNBQKNL-NZSAHSFTSA-N 2 2 335.923 3.202 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414135503 309062806 /nfs/dbraw/zinc/06/28/06/309062806.db2.gz IFKWIRKVILGIFE-QXAKKESOSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414135503 309062807 /nfs/dbraw/zinc/06/28/07/309062807.db2.gz IFKWIRKVILGIFE-QXAKKESOSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2)o1 ZINC000151336871 307731642 /nfs/dbraw/zinc/73/16/42/307731642.db2.gz RIULWPWIPBVTSW-SJLPKXTDSA-N 2 2 328.456 3.444 20 0 EGADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1OC(F)F ZINC000414271363 309069848 /nfs/dbraw/zinc/06/98/48/309069848.db2.gz MQLNOXSTBUFSFM-CQSZACIVSA-N 2 2 338.402 3.328 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000158898140 307865301 /nfs/dbraw/zinc/86/53/01/307865301.db2.gz SBHTWDOJIAIKCE-YJBOKZPZSA-N 2 2 326.431 3.098 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1C ZINC000414298704 309071238 /nfs/dbraw/zinc/07/12/38/309071238.db2.gz ZKYGPAHWOAFDSS-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nn1C ZINC000414298704 309071239 /nfs/dbraw/zinc/07/12/39/309071239.db2.gz ZKYGPAHWOAFDSS-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP CC[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)Oc1cccc(Cl)c1 ZINC000414357929 309074824 /nfs/dbraw/zinc/07/48/24/309074824.db2.gz AVFSTLIWDBDLHC-OAHLLOKOSA-N 2 2 336.867 3.087 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248725914 308010090 /nfs/dbraw/zinc/01/00/90/308010090.db2.gz IHRRMTSZQNREIH-YRWFTTLQSA-N 2 2 339.483 3.336 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248725914 308010092 /nfs/dbraw/zinc/01/00/92/308010092.db2.gz IHRRMTSZQNREIH-YRWFTTLQSA-N 2 2 339.483 3.336 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292881133 308075700 /nfs/dbraw/zinc/07/57/00/308075700.db2.gz DYAOCFKNHXNMAB-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292881133 308075702 /nfs/dbraw/zinc/07/57/02/308075702.db2.gz DYAOCFKNHXNMAB-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292881133 308075704 /nfs/dbraw/zinc/07/57/04/308075704.db2.gz DYAOCFKNHXNMAB-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292881133 308075706 /nfs/dbraw/zinc/07/57/06/308075706.db2.gz DYAOCFKNHXNMAB-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022791 308091260 /nfs/dbraw/zinc/09/12/60/308091260.db2.gz QVZYGHXQXBFQSP-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022791 308091261 /nfs/dbraw/zinc/09/12/61/308091261.db2.gz QVZYGHXQXBFQSP-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000293022791 308091263 /nfs/dbraw/zinc/09/12/63/308091263.db2.gz QVZYGHXQXBFQSP-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000293022791 308091265 /nfs/dbraw/zinc/09/12/65/308091265.db2.gz QVZYGHXQXBFQSP-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119775 308100964 /nfs/dbraw/zinc/10/09/64/308100964.db2.gz ZBJAMJBZSKHFKM-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119775 308100966 /nfs/dbraw/zinc/10/09/66/308100966.db2.gz ZBJAMJBZSKHFKM-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119775 308100968 /nfs/dbraw/zinc/10/09/68/308100968.db2.gz ZBJAMJBZSKHFKM-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119775 308100969 /nfs/dbraw/zinc/10/09/69/308100969.db2.gz ZBJAMJBZSKHFKM-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(O)c3Cl)[nH+]c2)C1 ZINC000293313780 308119523 /nfs/dbraw/zinc/11/95/23/308119523.db2.gz QLVPTAUHLUANRO-OAHLLOKOSA-N 2 2 346.862 3.193 20 0 EGADLP CC1CC[NH+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293651621 308149867 /nfs/dbraw/zinc/14/98/67/308149867.db2.gz IPZNMVLLXQPPME-INIZCTEOSA-N 2 2 333.505 3.057 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccnc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000293763184 308159604 /nfs/dbraw/zinc/15/96/04/308159604.db2.gz KFESOCYYWGPEIB-JSGCOSHPSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccnc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000293763184 308159606 /nfs/dbraw/zinc/15/96/06/308159606.db2.gz KFESOCYYWGPEIB-JSGCOSHPSA-N 2 2 335.249 3.124 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294182159 308198036 /nfs/dbraw/zinc/19/80/36/308198036.db2.gz NRNGPHJJVROMJQ-GOEBONIOSA-N 2 2 328.460 3.124 20 0 EGADLP CC[C@@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](CC)CC ZINC000294213918 308200560 /nfs/dbraw/zinc/20/05/60/308200560.db2.gz PLOYXPFJSGZHJU-IRXDYDNUSA-N 2 2 328.460 3.078 20 0 EGADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000294659105 308243210 /nfs/dbraw/zinc/24/32/10/308243210.db2.gz CLRVUJLQZKFSEK-ROUUACIJSA-N 2 2 345.874 3.067 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000294769534 308254808 /nfs/dbraw/zinc/25/48/08/308254808.db2.gz KAJPOTGITPVURV-DOTOQJQBSA-N 2 2 327.476 3.071 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000294769534 308254810 /nfs/dbraw/zinc/25/48/10/308254810.db2.gz KAJPOTGITPVURV-DOTOQJQBSA-N 2 2 327.476 3.071 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129031 308294845 /nfs/dbraw/zinc/29/48/45/308294845.db2.gz OIMSQDMDVPPEJZ-PMACEKPBSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129031 308294846 /nfs/dbraw/zinc/29/48/46/308294846.db2.gz OIMSQDMDVPPEJZ-PMACEKPBSA-N 2 2 332.463 3.198 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnn1-c1ccc(C)cc1 ZINC000295936593 308376530 /nfs/dbraw/zinc/37/65/30/308376530.db2.gz LDQARNWLRPJUGP-NMACRGETSA-N 2 2 339.487 3.160 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnn1-c1ccc(C)cc1 ZINC000295936593 308376531 /nfs/dbraw/zinc/37/65/31/308376531.db2.gz LDQARNWLRPJUGP-NMACRGETSA-N 2 2 339.487 3.160 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000295944824 308377385 /nfs/dbraw/zinc/37/73/85/308377385.db2.gz LBTQJEXTQGSDMV-RTBURBONSA-N 2 2 330.497 3.208 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000295944824 308377386 /nfs/dbraw/zinc/37/73/86/308377386.db2.gz LBTQJEXTQGSDMV-RTBURBONSA-N 2 2 330.497 3.208 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414659834 309094103 /nfs/dbraw/zinc/09/41/03/309094103.db2.gz UFPYWAOVICCYQQ-HNNXBMFYSA-N 2 2 338.377 3.204 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414659834 309094104 /nfs/dbraw/zinc/09/41/04/309094104.db2.gz UFPYWAOVICCYQQ-HNNXBMFYSA-N 2 2 338.377 3.204 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414738023 309098107 /nfs/dbraw/zinc/09/81/07/309098107.db2.gz AXLVZWAIOMQHCV-JQHSSLGASA-N 3 2 326.488 3.197 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414738023 309098108 /nfs/dbraw/zinc/09/81/08/309098108.db2.gz AXLVZWAIOMQHCV-JQHSSLGASA-N 3 2 326.488 3.197 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000414775238 309100081 /nfs/dbraw/zinc/10/00/81/309100081.db2.gz BPWHGVYFQMLSJG-CYBMUJFWSA-N 2 2 329.271 3.181 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000414775238 309100082 /nfs/dbraw/zinc/10/00/82/309100082.db2.gz BPWHGVYFQMLSJG-CYBMUJFWSA-N 2 2 329.271 3.181 20 0 EGADLP CC(C)([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414806874 309102504 /nfs/dbraw/zinc/10/25/04/309102504.db2.gz QNXHSLCHEZGBAI-UHFFFAOYSA-N 2 2 331.847 3.419 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414821605 309103783 /nfs/dbraw/zinc/10/37/83/309103783.db2.gz CMEXUJFKFWMCAB-CQSZACIVSA-N 2 2 327.266 3.080 20 0 EGADLP Fc1ccc(N2CC[NH+](CCNc3cc[nH+]cc3Cl)CC2)cc1 ZINC000301494172 308702509 /nfs/dbraw/zinc/70/25/09/308702509.db2.gz AMJRUNHMRHMITM-UHFFFAOYSA-N 2 2 334.826 3.108 20 0 EGADLP Cc1cn2cc(NC(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC000333161397 308851565 /nfs/dbraw/zinc/85/15/65/308851565.db2.gz NZHLCSSNOAMQLR-DOTOQJQBSA-N 2 2 341.459 3.029 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCC1 ZINC000342130949 308880503 /nfs/dbraw/zinc/88/05/03/308880503.db2.gz CTTVJNVFQDEVCM-UHFFFAOYSA-N 2 2 335.192 3.022 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000414852088 309105583 /nfs/dbraw/zinc/10/55/83/309105583.db2.gz VJXBBUBWLYUOQV-GOSISDBHSA-N 2 2 326.440 3.371 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414861078 309106076 /nfs/dbraw/zinc/10/60/76/309106076.db2.gz DWNZWOYLTLEGTI-KRWDZBQOSA-N 2 2 326.440 3.212 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414872206 309106638 /nfs/dbraw/zinc/10/66/38/309106638.db2.gz WBBLNGGNSAWPHX-GOSISDBHSA-N 2 2 326.440 3.116 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)c1 ZINC000414886371 309107366 /nfs/dbraw/zinc/10/73/66/309107366.db2.gz PVUVUSWNGRADAZ-NHCUHLMSSA-N 2 2 340.467 3.329 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)c(OC)c2)cc1 ZINC000414889477 309107478 /nfs/dbraw/zinc/10/74/78/309107478.db2.gz SSJAOAXMZKVGPF-WOJBJXKFSA-N 2 2 340.467 3.248 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414894893 309107840 /nfs/dbraw/zinc/10/78/40/309107840.db2.gz UYJDDXCDVCEJGS-SFHVURJKSA-N 2 2 332.879 3.029 20 0 EGADLP COC[C@]1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414954304 309111176 /nfs/dbraw/zinc/11/11/76/309111176.db2.gz LCDGQGADWDIJCA-CQSZACIVSA-N 2 2 336.785 3.217 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415036411 309115722 /nfs/dbraw/zinc/11/57/22/309115722.db2.gz LTKAXPWOJPDIHV-HALDLXJZSA-N 2 2 344.890 3.131 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415040571 309116004 /nfs/dbraw/zinc/11/60/04/309116004.db2.gz KFJHXVGIZYGBFV-CZUORRHYSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415040571 309116005 /nfs/dbraw/zinc/11/60/05/309116005.db2.gz KFJHXVGIZYGBFV-CZUORRHYSA-N 2 2 332.879 3.191 20 0 EGADLP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000415044201 309116152 /nfs/dbraw/zinc/11/61/52/309116152.db2.gz APACVIWWZKZBDJ-NRFANRHFSA-N 3 2 338.499 3.116 20 0 EGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415051070 309116657 /nfs/dbraw/zinc/11/66/57/309116657.db2.gz ZKUPNYPGVMEHJZ-LJQANCHMSA-N 2 2 340.467 3.139 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000415065214 309117881 /nfs/dbraw/zinc/11/78/81/309117881.db2.gz MJIOSBIAGJOZMH-IRXDYDNUSA-N 2 2 331.485 3.347 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415064698 309117976 /nfs/dbraw/zinc/11/79/76/309117976.db2.gz LDAFPKXVWDYJEO-LIRRHRJNSA-N 2 2 343.446 3.395 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000415069674 309118165 /nfs/dbraw/zinc/11/81/65/309118165.db2.gz TUGHBIHZWINLSQ-LJQANCHMSA-N 2 2 326.488 3.278 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415079062 309118799 /nfs/dbraw/zinc/11/87/99/309118799.db2.gz HDNHFJYBEBISHA-OAHLLOKOSA-N 2 2 340.471 3.373 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000415087446 309119398 /nfs/dbraw/zinc/11/93/98/309119398.db2.gz UODSDJFAYIYRPK-KBAYOESNSA-N 3 2 328.435 3.022 20 0 EGADLP COc1cc(C[NH2+]CC[NH2+]C(C)(C)C)ccc1OCC(F)(F)F ZINC000415089373 309119534 /nfs/dbraw/zinc/11/95/34/309119534.db2.gz WLVAGXGIQSDCNP-UHFFFAOYSA-N 2 2 334.382 3.114 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CCCO1 ZINC000415106012 309120755 /nfs/dbraw/zinc/12/07/55/309120755.db2.gz JAHGTJHNMATUMO-AWEZNQCLSA-N 2 2 343.452 3.106 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CCCO1 ZINC000415106012 309120756 /nfs/dbraw/zinc/12/07/56/309120756.db2.gz JAHGTJHNMATUMO-AWEZNQCLSA-N 2 2 343.452 3.106 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Sc3ccccc3)cc2)CCCO1 ZINC000415116958 309121415 /nfs/dbraw/zinc/12/14/15/309121415.db2.gz YOQUOKLNDDPLJT-QGZVFWFLSA-N 2 2 328.481 3.387 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Sc3ccccc3)cc2)CCCO1 ZINC000415116958 309121416 /nfs/dbraw/zinc/12/14/16/309121416.db2.gz YOQUOKLNDDPLJT-QGZVFWFLSA-N 2 2 328.481 3.387 20 0 EGADLP [NH3+][C@@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@H]1c1cccc(F)c1 ZINC000415117258 309121475 /nfs/dbraw/zinc/12/14/75/309121475.db2.gz CBMGTGOYJOLDAB-DLBZAZTESA-N 2 2 344.821 3.054 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415136077 309123084 /nfs/dbraw/zinc/12/30/84/309123084.db2.gz XCJWIRPPHJYFCZ-JSGCOSHPSA-N 2 2 328.403 3.103 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415136077 309123085 /nfs/dbraw/zinc/12/30/85/309123085.db2.gz XCJWIRPPHJYFCZ-JSGCOSHPSA-N 2 2 328.403 3.103 20 0 EGADLP C[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C[NH2+]1 ZINC000415186580 309125427 /nfs/dbraw/zinc/12/54/27/309125427.db2.gz NJKDOJFCHHPASV-KBPBESRZSA-N 2 2 326.400 3.088 20 0 EGADLP C[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@@H]1[NH3+] ZINC000415191450 309125604 /nfs/dbraw/zinc/12/56/04/309125604.db2.gz VKPDQBCEFHKEQM-GUYCJALGSA-N 2 2 326.400 3.075 20 0 EGADLP Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1Oc1cc[nH+]cc1 ZINC000416306198 309167934 /nfs/dbraw/zinc/16/79/34/309167934.db2.gz ZFJBWPQSCGRUON-UHFFFAOYSA-N 2 2 325.412 3.006 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCn2c3ccccc3c3ccccc32)n1C ZINC000419678387 309270964 /nfs/dbraw/zinc/27/09/64/309270964.db2.gz DMNRIWWMSJOVPB-UHFFFAOYSA-N 2 2 347.466 3.384 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Br)s1 ZINC000419690195 309271036 /nfs/dbraw/zinc/27/10/36/309271036.db2.gz BRPDSCPIXDBSLA-VIFPVBQESA-N 2 2 343.294 3.161 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCCCc2ccc(Cl)s2)n1C ZINC000419699501 309271054 /nfs/dbraw/zinc/27/10/54/309271054.db2.gz AMSNXSWSKKQGMV-UHFFFAOYSA-N 2 2 326.897 3.314 20 0 EGADLP CC(C)c1ccc(O[C@H](C)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419703743 309271340 /nfs/dbraw/zinc/27/13/40/309271340.db2.gz FBVQUBKZOCTGRY-OAHLLOKOSA-N 2 2 330.476 3.167 20 0 EGADLP COC(=O)c1cc2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)ccc2o1 ZINC000420290249 309279473 /nfs/dbraw/zinc/27/94/73/309279473.db2.gz LSFOGSCRRISVRU-UHFFFAOYSA-N 2 2 342.439 3.183 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000420292323 309279673 /nfs/dbraw/zinc/27/96/73/309279673.db2.gz PGRYKCHXIJMRPV-AHRSYUTCSA-N 2 2 337.467 3.344 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000420292323 309279674 /nfs/dbraw/zinc/27/96/74/309279674.db2.gz PGRYKCHXIJMRPV-AHRSYUTCSA-N 2 2 337.467 3.344 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1 ZINC000420297230 309280023 /nfs/dbraw/zinc/28/00/23/309280023.db2.gz YHJRKOPBVGOONB-CJNGLKHVSA-N 2 2 332.448 3.111 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1 ZINC000420297230 309280024 /nfs/dbraw/zinc/28/00/24/309280024.db2.gz YHJRKOPBVGOONB-CJNGLKHVSA-N 2 2 332.448 3.111 20 0 EGADLP CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420315500 309281461 /nfs/dbraw/zinc/28/14/61/309281461.db2.gz RRMOZYGBEVPFDL-QGZVFWFLSA-N 2 2 332.879 3.490 20 0 EGADLP CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420315500 309281462 /nfs/dbraw/zinc/28/14/62/309281462.db2.gz RRMOZYGBEVPFDL-QGZVFWFLSA-N 2 2 332.879 3.490 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420347343 309283656 /nfs/dbraw/zinc/28/36/56/309283656.db2.gz YCDCIUMEDCVUAZ-TYPHKJRUSA-N 2 2 349.478 3.359 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420347343 309283657 /nfs/dbraw/zinc/28/36/57/309283657.db2.gz YCDCIUMEDCVUAZ-TYPHKJRUSA-N 2 2 349.478 3.359 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000420353816 309283700 /nfs/dbraw/zinc/28/37/00/309283700.db2.gz AUFRWSPKWQOAAN-DZHLUBAWSA-N 2 2 344.286 3.297 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1 ZINC000420358069 309283889 /nfs/dbraw/zinc/28/38/89/309283889.db2.gz JAXQHFDMMOCXDR-CXAGYDPISA-N 2 2 337.895 3.014 20 0 EGADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)cc1 ZINC000420363462 309284258 /nfs/dbraw/zinc/28/42/58/309284258.db2.gz NWNIREAQFVNWPO-OAHLLOKOSA-N 2 2 347.484 3.060 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000420372256 309284868 /nfs/dbraw/zinc/28/48/68/309284868.db2.gz QDWNXISDJURQAD-USXUVBGUSA-N 2 2 344.286 3.297 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000420375538 309285077 /nfs/dbraw/zinc/28/50/77/309285077.db2.gz TXECDUITLRDTML-QUCCMNQESA-N 2 2 349.494 3.136 20 0 EGADLP CCN(C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1cccc2ccccc21 ZINC000420375120 309285094 /nfs/dbraw/zinc/28/50/94/309285094.db2.gz SPPXFPLFQVOAJV-LJQANCHMSA-N 2 2 339.483 3.170 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397137 309286394 /nfs/dbraw/zinc/28/63/94/309286394.db2.gz MOHREDNNIDIHLY-YOEHRIQHSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397137 309286395 /nfs/dbraw/zinc/28/63/95/309286395.db2.gz MOHREDNNIDIHLY-YOEHRIQHSA-N 2 2 335.879 3.051 20 0 EGADLP C[NH2+]CCCN[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420406052 309286804 /nfs/dbraw/zinc/28/68/04/309286804.db2.gz NJFYNUFPQZAWOM-IRXDYDNUSA-N 2 2 327.875 3.202 20 0 EGADLP C[NH2+]CCCN[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420406052 309286805 /nfs/dbraw/zinc/28/68/05/309286805.db2.gz NJFYNUFPQZAWOM-IRXDYDNUSA-N 2 2 327.875 3.202 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1C ZINC000420413372 309287090 /nfs/dbraw/zinc/28/70/90/309287090.db2.gz ZWQOMGFOYQTGBQ-JKSUJKDBSA-N 2 2 335.517 3.076 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1C ZINC000420413372 309287091 /nfs/dbraw/zinc/28/70/91/309287091.db2.gz ZWQOMGFOYQTGBQ-JKSUJKDBSA-N 2 2 335.517 3.076 20 0 EGADLP Cc1cc(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000420768802 309293853 /nfs/dbraw/zinc/29/38/53/309293853.db2.gz WQGMRKUSTRLTRL-UHFFFAOYSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc(C)[nH+]1 ZINC000420768802 309293854 /nfs/dbraw/zinc/29/38/54/309293854.db2.gz WQGMRKUSTRLTRL-UHFFFAOYSA-N 2 2 332.492 3.152 20 0 EGADLP C[C@H](O)C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000420906234 309300273 /nfs/dbraw/zinc/30/02/73/309300273.db2.gz SGQSFVUEERXFHX-SFHVURJKSA-N 2 2 346.515 3.034 20 0 EGADLP C[C@H](O)C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000420906234 309300274 /nfs/dbraw/zinc/30/02/74/309300274.db2.gz SGQSFVUEERXFHX-SFHVURJKSA-N 2 2 346.515 3.034 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H](C)C1 ZINC000420915712 309300699 /nfs/dbraw/zinc/30/06/99/309300699.db2.gz FWBIGROIICOZFT-WIYYLYMNSA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H](C)C1 ZINC000420915712 309300700 /nfs/dbraw/zinc/30/07/00/309300700.db2.gz FWBIGROIICOZFT-WIYYLYMNSA-N 2 2 346.515 3.156 20 0 EGADLP CCc1cnc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420917527 309300983 /nfs/dbraw/zinc/30/09/83/309300983.db2.gz SGNFVMINRUQWJK-UHFFFAOYSA-N 2 2 345.512 3.170 20 0 EGADLP CCc1cnc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420917527 309300984 /nfs/dbraw/zinc/30/09/84/309300984.db2.gz SGNFVMINRUQWJK-UHFFFAOYSA-N 2 2 345.512 3.170 20 0 EGADLP Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420939936 309302839 /nfs/dbraw/zinc/30/28/39/309302839.db2.gz QTCFSBUCLITFOK-UHFFFAOYSA-N 2 2 347.890 3.143 20 0 EGADLP Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420939936 309302840 /nfs/dbraw/zinc/30/28/40/309302840.db2.gz QTCFSBUCLITFOK-UHFFFAOYSA-N 2 2 347.890 3.143 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958805 309304451 /nfs/dbraw/zinc/30/44/51/309304451.db2.gz PMFNULBXSHHMJM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958805 309304452 /nfs/dbraw/zinc/30/44/52/309304452.db2.gz PMFNULBXSHHMJM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958805 309304453 /nfs/dbraw/zinc/30/44/53/309304453.db2.gz PMFNULBXSHHMJM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958805 309304454 /nfs/dbraw/zinc/30/44/54/309304454.db2.gz PMFNULBXSHHMJM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccsc3Cl)CC2)CC1 ZINC000421370312 309321147 /nfs/dbraw/zinc/32/11/47/309321147.db2.gz IIZRQQMEKFXDHK-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccsc3Cl)CC2)CC1 ZINC000421370312 309321148 /nfs/dbraw/zinc/32/11/48/309321148.db2.gz IIZRQQMEKFXDHK-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccsc3Cl)CC2)CC1 ZINC000421370312 309321149 /nfs/dbraw/zinc/32/11/49/309321149.db2.gz IIZRQQMEKFXDHK-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccsc3Cl)CC2)CC1 ZINC000421370312 309321150 /nfs/dbraw/zinc/32/11/50/309321150.db2.gz IIZRQQMEKFXDHK-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[N@H+](CCOc1ccccc1C)Cc1ncc(C[NH+](C)C)s1 ZINC000421390278 309322216 /nfs/dbraw/zinc/32/22/16/309322216.db2.gz SHBDGNBLYMBKLN-UHFFFAOYSA-N 2 2 333.501 3.414 20 0 EGADLP CC[N@@H+](CCOc1ccccc1C)Cc1ncc(C[NH+](C)C)s1 ZINC000421390278 309322217 /nfs/dbraw/zinc/32/22/17/309322217.db2.gz SHBDGNBLYMBKLN-UHFFFAOYSA-N 2 2 333.501 3.414 20 0 EGADLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000421822446 309341675 /nfs/dbraw/zinc/34/16/75/309341675.db2.gz XAUAWSLCYPSZCI-QGZVFWFLSA-N 2 2 331.504 3.373 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421828893 309341983 /nfs/dbraw/zinc/34/19/83/309341983.db2.gz FWGJOSDUEZZIAO-BEFAXECRSA-N 2 2 338.467 3.089 20 0 EGADLP Brc1cc2cccnc2c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422633838 309363033 /nfs/dbraw/zinc/36/30/33/309363033.db2.gz ITKWSIMTZMUTPW-UHFFFAOYSA-N 2 2 346.272 3.325 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422714822 309364463 /nfs/dbraw/zinc/36/44/63/309364463.db2.gz ROCWZCVLRYSQSN-DNVCBOLYSA-N 2 2 329.488 3.436 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)[C@H]1CCC[NH2+]1 ZINC000422721208 309364843 /nfs/dbraw/zinc/36/48/43/309364843.db2.gz NPYHGDWWVDPXNM-RZQQEMMASA-N 2 2 325.456 3.452 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422750429 309366408 /nfs/dbraw/zinc/36/64/08/309366408.db2.gz DEFWIFIRFLDSHP-KSZLIROESA-N 3 2 326.488 3.245 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422787514 309368262 /nfs/dbraw/zinc/36/82/62/309368262.db2.gz RKWVOPFDQBNLPG-KDOFPFPSSA-N 2 2 327.428 3.113 20 0 EGADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000422824191 309370307 /nfs/dbraw/zinc/37/03/07/309370307.db2.gz GKQYGJFVVBHUEX-OCCSQVGLSA-N 2 2 346.393 3.257 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422839264 309371435 /nfs/dbraw/zinc/37/14/35/309371435.db2.gz ZODVLLIOGPQYGX-XLIONFOSSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422839264 309371436 /nfs/dbraw/zinc/37/14/36/309371436.db2.gz ZODVLLIOGPQYGX-XLIONFOSSA-N 3 2 338.499 3.164 20 0 EGADLP CCc1nc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422883838 309373804 /nfs/dbraw/zinc/37/38/04/309373804.db2.gz CZPLLKRUZBBOQM-YJBOKZPZSA-N 2 2 329.469 3.051 20 0 EGADLP CCc1nc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422883833 309373873 /nfs/dbraw/zinc/37/38/73/309373873.db2.gz CZPLLKRUZBBOQM-MAUKXSAKSA-N 2 2 329.469 3.051 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cn2)c1 ZINC000422900149 309375031 /nfs/dbraw/zinc/37/50/31/309375031.db2.gz PYUBQUUJEJQYJQ-KSSFIOAISA-N 2 2 327.428 3.113 20 0 EGADLP COc1ccc(C2(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CCCCC2)cc1 ZINC000422903343 309375389 /nfs/dbraw/zinc/37/53/89/309375389.db2.gz OHZGPCMZLZAIRT-HKUYNNGSSA-N 2 2 346.515 3.254 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422910524 309375772 /nfs/dbraw/zinc/37/57/72/309375772.db2.gz QXRJPZSDOWNHMD-JKSUJKDBSA-N 3 2 326.488 3.020 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422910524 309375773 /nfs/dbraw/zinc/37/57/73/309375773.db2.gz QXRJPZSDOWNHMD-JKSUJKDBSA-N 3 2 326.488 3.020 20 0 EGADLP C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000422942567 309377337 /nfs/dbraw/zinc/37/73/37/309377337.db2.gz JFSAWZDEHYEHNH-JOYOIKCWSA-N 2 2 349.219 3.281 20 0 EGADLP CC[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]1 ZINC000422981698 309379409 /nfs/dbraw/zinc/37/94/09/309379409.db2.gz OZUWEGVMLKBLBK-CABCVRRESA-N 2 2 334.851 3.053 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423024398 309381690 /nfs/dbraw/zinc/38/16/90/309381690.db2.gz LTSMKEHRLPXFQC-AHIWAGSCSA-N 2 2 325.859 3.178 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423061012 309383698 /nfs/dbraw/zinc/38/36/98/309383698.db2.gz JPXTXYIAZKMWOH-GOEBONIOSA-N 2 2 338.442 3.133 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423124525 309387103 /nfs/dbraw/zinc/38/71/03/309387103.db2.gz MQQBPQFIZYERCV-YWZLYKJASA-N 2 2 342.487 3.235 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423150262 309388589 /nfs/dbraw/zinc/38/85/89/309388589.db2.gz BJXRALXIUTVPCS-ZLENFMNRSA-N 2 2 326.843 3.287 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423190730 309389652 /nfs/dbraw/zinc/38/96/52/309389652.db2.gz NZVYLGNOGXBRSP-BHYGNILZSA-N 2 2 336.451 3.176 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423231153 309391585 /nfs/dbraw/zinc/39/15/85/309391585.db2.gz FUQYATIPVZWVGM-YGRLFVJLSA-N 2 2 329.669 3.431 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000423260049 309392803 /nfs/dbraw/zinc/39/28/03/309392803.db2.gz GQAJWLBFQPZZMN-KXBFYZLASA-N 2 2 341.503 3.442 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000423366431 309397479 /nfs/dbraw/zinc/39/74/79/309397479.db2.gz LJNYTYCDWPOHGI-PDWMJMLSSA-N 2 2 338.442 3.204 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000423372755 309397517 /nfs/dbraw/zinc/39/75/17/309397517.db2.gz IRXMPFATDHTUML-TYNCELHUSA-N 2 2 333.867 3.020 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423437879 309400424 /nfs/dbraw/zinc/40/04/24/309400424.db2.gz ULKMRECKLKXKCH-CZUORRHYSA-N 2 2 346.393 3.047 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2nccn21 ZINC000423481004 309401971 /nfs/dbraw/zinc/40/19/71/309401971.db2.gz WLYZGXDLQJSSKG-OXXUSNJHSA-N 2 2 328.435 3.011 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000427185545 309524221 /nfs/dbraw/zinc/52/42/21/309524221.db2.gz NIUHTMLHOPFASW-UHFFFAOYSA-N 2 2 326.444 3.444 20 0 EGADLP CS[C@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C[C@@H]1[NH+](C)C ZINC000433775548 309696031 /nfs/dbraw/zinc/69/60/31/309696031.db2.gz UTVHCAQKIBHUKO-KBPBESRZSA-N 2 2 336.549 3.379 20 0 EGADLP Fc1cccc2[nH]c(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)cc21 ZINC000436270200 309751247 /nfs/dbraw/zinc/75/12/47/309751247.db2.gz NVWAEPPMUULCFB-UHFFFAOYSA-N 2 2 338.430 3.456 20 0 EGADLP CC[C@H](NC(=O)c1ccc(OCC[NH+](CC)CC)cc1)c1[nH]cc[nH+]1 ZINC000442804746 309887736 /nfs/dbraw/zinc/88/77/36/309887736.db2.gz XTYDUEMFJKTCFG-KRWDZBQOSA-N 2 2 344.459 3.011 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C)[NH+](C)C ZINC000443012042 309893670 /nfs/dbraw/zinc/89/36/70/309893670.db2.gz RIRLBBLVBVAHLS-YWZLYKJASA-N 2 2 337.471 3.058 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443207288 309897067 /nfs/dbraw/zinc/89/70/67/309897067.db2.gz YYFOYVNETIQLEP-CNXCKVANSA-N 2 2 331.504 3.023 20 0 EGADLP COc1cc2ccccc2cc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000449037240 310031880 /nfs/dbraw/zinc/03/18/80/310031880.db2.gz XXFXRBCMOQPRMT-UHFFFAOYSA-N 2 2 342.483 3.127 20 0 EGADLP COc1cc2ccccc2cc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000449037240 310031881 /nfs/dbraw/zinc/03/18/81/310031881.db2.gz XXFXRBCMOQPRMT-UHFFFAOYSA-N 2 2 342.483 3.127 20 0 EGADLP c1cc(C[NH2+][C@H]2CCCC23CCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC000449104670 310037367 /nfs/dbraw/zinc/03/73/67/310037367.db2.gz WIQSRAIWUKVUCD-FQEVSTJZSA-N 2 2 344.499 3.210 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449109020 310037698 /nfs/dbraw/zinc/03/76/98/310037698.db2.gz WWAQKPVCLLWVRQ-UHFFFAOYSA-N 2 2 328.456 3.049 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137326 310039517 /nfs/dbraw/zinc/03/95/17/310039517.db2.gz FGKIQLODUOYBKW-MOPGFXCFSA-N 2 2 333.907 3.111 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137326 310039518 /nfs/dbraw/zinc/03/95/18/310039518.db2.gz FGKIQLODUOYBKW-MOPGFXCFSA-N 2 2 333.907 3.111 20 0 EGADLP Fc1ccccc1-c1ncc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000449256642 310047908 /nfs/dbraw/zinc/04/79/08/310047908.db2.gz FBFOBVYAMAIVSG-LBPRGKRZSA-N 2 2 328.416 3.250 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385439 310058051 /nfs/dbraw/zinc/05/80/51/310058051.db2.gz FNJSWTUJXZDCNN-APIJFGDWSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385439 310058052 /nfs/dbraw/zinc/05/80/52/310058052.db2.gz FNJSWTUJXZDCNN-APIJFGDWSA-N 2 2 342.936 3.330 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398735 310058922 /nfs/dbraw/zinc/05/89/22/310058922.db2.gz WHGFWIAPWBMHTN-FGZHOGPDSA-N 2 2 338.495 3.407 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398735 310058923 /nfs/dbraw/zinc/05/89/23/310058923.db2.gz WHGFWIAPWBMHTN-FGZHOGPDSA-N 2 2 338.495 3.407 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C)c(Br)s2)[C@@H](C)C1 ZINC000449400961 310059119 /nfs/dbraw/zinc/05/91/19/310059119.db2.gz KRVPLHAYFOQUIA-GXSJLCMTSA-N 2 2 332.311 3.034 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C)c(Br)s2)[C@@H](C)C1 ZINC000449400961 310059120 /nfs/dbraw/zinc/05/91/20/310059120.db2.gz KRVPLHAYFOQUIA-GXSJLCMTSA-N 2 2 332.311 3.034 20 0 EGADLP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000449506230 310067602 /nfs/dbraw/zinc/06/76/02/310067602.db2.gz CCFXNIYPCOPWKV-HZPDHXFCSA-N 2 2 338.458 3.282 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CC(C)(C)C3)CC2)cc1 ZINC000449519628 310068847 /nfs/dbraw/zinc/06/88/47/310068847.db2.gz CAFIKHOVWHGCNA-UHFFFAOYSA-N 2 2 329.488 3.388 20 0 EGADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+](Cc2ccccc2)C1 ZINC000449552424 310071284 /nfs/dbraw/zinc/07/12/84/310071284.db2.gz JGGKXBANZFUUEY-SFHVURJKSA-N 2 2 334.467 3.288 20 0 EGADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+](Cc2ccccc2)C1 ZINC000449552424 310071285 /nfs/dbraw/zinc/07/12/85/310071285.db2.gz JGGKXBANZFUUEY-SFHVURJKSA-N 2 2 334.467 3.288 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)c[nH+]c12 ZINC000449648679 310077391 /nfs/dbraw/zinc/07/73/91/310077391.db2.gz UJNAWHHHZXBCHT-HOTGVXAUSA-N 2 2 348.450 3.099 20 0 EGADLP COc1cc(F)cc(C[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000449784833 310087198 /nfs/dbraw/zinc/08/71/98/310087198.db2.gz YORRMECJVBNVEV-HNNXBMFYSA-N 2 2 343.446 3.419 20 0 EGADLP Cc1cc2nc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)oc2c(C)c1 ZINC000450418228 310121233 /nfs/dbraw/zinc/12/12/33/310121233.db2.gz LQGFDTPHQPJUPF-INIZCTEOSA-N 2 2 342.487 3.049 20 0 EGADLP Cc1cc2nc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)oc2c(C)c1 ZINC000450418228 310121234 /nfs/dbraw/zinc/12/12/34/310121234.db2.gz LQGFDTPHQPJUPF-INIZCTEOSA-N 2 2 342.487 3.049 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450730335 310139859 /nfs/dbraw/zinc/13/98/59/310139859.db2.gz WCIRDTDOOYVWGW-KBPBESRZSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730335 310139860 /nfs/dbraw/zinc/13/98/60/310139860.db2.gz WCIRDTDOOYVWGW-KBPBESRZSA-N 2 2 344.425 3.188 20 0 EGADLP Cc1cc[nH+]cc1N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450903008 310149005 /nfs/dbraw/zinc/14/90/05/310149005.db2.gz LTXZSCVLTVBGIK-UHFFFAOYSA-N 2 2 341.430 3.314 20 0 EGADLP OCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000451312897 310171221 /nfs/dbraw/zinc/17/12/21/310171221.db2.gz VMYMKLWGBPZFDW-HNNXBMFYSA-N 2 2 327.350 3.005 20 0 EGADLP COc1cc[nH+]c(CN2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000451708059 310193859 /nfs/dbraw/zinc/19/38/59/310193859.db2.gz MBSCVKIYVLLWGZ-QGZVFWFLSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000451708059 310193860 /nfs/dbraw/zinc/19/38/60/310193860.db2.gz MBSCVKIYVLLWGZ-QGZVFWFLSA-N 2 2 325.456 3.044 20 0 EGADLP CCn1cccc1CNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000453047835 310254270 /nfs/dbraw/zinc/25/42/70/310254270.db2.gz RCUHIFHHPXUBCW-UHFFFAOYSA-N 2 2 348.454 3.179 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000453056037 310254718 /nfs/dbraw/zinc/25/47/18/310254718.db2.gz KOCGQNKAFUCZLD-PCCBWWKXSA-N 3 2 338.499 3.306 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000453056037 310254719 /nfs/dbraw/zinc/25/47/19/310254719.db2.gz KOCGQNKAFUCZLD-PCCBWWKXSA-N 3 2 338.499 3.306 20 0 EGADLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000453096906 310257661 /nfs/dbraw/zinc/25/76/61/310257661.db2.gz IPUQLNVAJWTTOE-GUYCJALGSA-N 2 2 332.879 3.235 20 0 EGADLP C[C@@H](CN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000453096906 310257662 /nfs/dbraw/zinc/25/76/62/310257662.db2.gz IPUQLNVAJWTTOE-GUYCJALGSA-N 2 2 332.879 3.235 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453098141 310257765 /nfs/dbraw/zinc/25/77/65/310257765.db2.gz ZVRWWOPQIJIEDB-NJYVYQBISA-N 3 2 338.499 3.224 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453098141 310257766 /nfs/dbraw/zinc/25/77/66/310257766.db2.gz ZVRWWOPQIJIEDB-NJYVYQBISA-N 3 2 338.499 3.224 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000453590193 310283103 /nfs/dbraw/zinc/28/31/03/310283103.db2.gz AYMWJHCFBYBFTM-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000453590193 310283104 /nfs/dbraw/zinc/28/31/04/310283104.db2.gz AYMWJHCFBYBFTM-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590193 310283105 /nfs/dbraw/zinc/28/31/05/310283105.db2.gz AYMWJHCFBYBFTM-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590193 310283106 /nfs/dbraw/zinc/28/31/06/310283106.db2.gz AYMWJHCFBYBFTM-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453588602 310283206 /nfs/dbraw/zinc/28/32/06/310283206.db2.gz LWTXVCBGMGEFAE-UHFFFAOYSA-N 2 2 347.322 3.019 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)[nH+]1 ZINC000455482444 310363046 /nfs/dbraw/zinc/36/30/46/310363046.db2.gz PHTYPJAONOYAAO-HUUCEWRRSA-N 2 2 348.491 3.016 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cn4ccccc4[nH+]3)ccc21 ZINC000455847231 310379324 /nfs/dbraw/zinc/37/93/24/310379324.db2.gz IVOKRVJTGMTQDV-SFHVURJKSA-N 2 2 349.438 3.205 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)Cn2cc[nH+]c2C)c1 ZINC000457653097 310465569 /nfs/dbraw/zinc/46/55/69/310465569.db2.gz NKORJXQNPHZPSI-UHFFFAOYSA-N 2 2 337.427 3.494 20 0 EGADLP CCCCC1CCC(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000482007737 310924701 /nfs/dbraw/zinc/92/47/01/310924701.db2.gz KEDYPSWIFJXYJI-UHFFFAOYSA-N 2 2 337.552 3.125 20 0 EGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490083509 311132718 /nfs/dbraw/zinc/13/27/18/311132718.db2.gz CEOUBXAFRMPVCY-KRWDZBQOSA-N 2 2 328.460 3.321 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000490308344 311138482 /nfs/dbraw/zinc/13/84/82/311138482.db2.gz OVPWVSUHLDMYKQ-IRXDYDNUSA-N 2 2 328.500 3.421 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000490308344 311138483 /nfs/dbraw/zinc/13/84/83/311138483.db2.gz OVPWVSUHLDMYKQ-IRXDYDNUSA-N 2 2 328.500 3.421 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)NC(=O)OC(C)(C)C ZINC000492328503 311238727 /nfs/dbraw/zinc/23/87/27/311238727.db2.gz MGYHXCNDDVPNAV-HUUCEWRRSA-N 2 2 344.459 3.436 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000492922708 311307367 /nfs/dbraw/zinc/30/73/67/311307367.db2.gz GQUQXKYTRMDVDS-XZVRFQMRSA-N 2 2 346.862 3.276 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000492922708 311307369 /nfs/dbraw/zinc/30/73/69/311307369.db2.gz GQUQXKYTRMDVDS-XZVRFQMRSA-N 2 2 346.862 3.276 20 0 EGADLP CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000493357640 311364441 /nfs/dbraw/zinc/36/44/41/311364441.db2.gz UUDUDBRKYXKTMM-NKHMXISVSA-N 2 2 338.455 3.107 20 0 EGADLP CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000493357640 311364444 /nfs/dbraw/zinc/36/44/44/311364444.db2.gz UUDUDBRKYXKTMM-NKHMXISVSA-N 2 2 338.455 3.107 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCc4ccccc4OC3)c2)c[nH+]1 ZINC000493850322 311439084 /nfs/dbraw/zinc/43/90/84/311439084.db2.gz VBHLEGKUHIAGBF-HXUWFJFHSA-N 2 2 333.435 3.415 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494413936 311475804 /nfs/dbraw/zinc/47/58/04/311475804.db2.gz VFZZYHCQTFUOPW-ZDUSSCGKSA-N 2 2 335.835 3.048 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000496034885 311651693 /nfs/dbraw/zinc/65/16/93/311651693.db2.gz HJNXPBZEHUDMEF-OAHLLOKOSA-N 2 2 348.491 3.236 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496361185 311702187 /nfs/dbraw/zinc/70/21/87/311702187.db2.gz OWLDJNBQPQUEHJ-MRXNPFEDSA-N 2 2 333.476 3.310 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000504589898 312008491 /nfs/dbraw/zinc/00/84/91/312008491.db2.gz OSLBAJVCGZVMGG-FQEVSTJZSA-N 2 2 346.515 3.410 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000504589898 312008493 /nfs/dbraw/zinc/00/84/93/312008493.db2.gz OSLBAJVCGZVMGG-FQEVSTJZSA-N 2 2 346.515 3.410 20 0 EGADLP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507521678 312075882 /nfs/dbraw/zinc/07/58/82/312075882.db2.gz ZUNGZSQUAXBTBW-HOCLYGCPSA-N 2 2 336.442 3.444 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000510515501 312142110 /nfs/dbraw/zinc/14/21/10/312142110.db2.gz RMHBEEUOFWSHBW-LJQANCHMSA-N 2 2 341.430 3.429 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105314 312225050 /nfs/dbraw/zinc/22/50/50/312225050.db2.gz QMJBDWBUUPZJFQ-QAPCUYQASA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105314 312225051 /nfs/dbraw/zinc/22/50/51/312225051.db2.gz QMJBDWBUUPZJFQ-QAPCUYQASA-N 2 2 340.458 3.232 20 0 EGADLP CCn1nnc(C)c1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000514776494 312244663 /nfs/dbraw/zinc/24/46/63/312244663.db2.gz KJXZZFHMQKLFBC-UHFFFAOYSA-N 2 2 338.459 3.102 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000515346323 312277833 /nfs/dbraw/zinc/27/78/33/312277833.db2.gz GVWBHRHQRRXZIR-GTYSZEQSSA-N 2 2 338.455 3.252 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000515364944 312278999 /nfs/dbraw/zinc/27/89/99/312278999.db2.gz ZLZMFJCBGPHCPY-AZUAARDMSA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000515364944 312279000 /nfs/dbraw/zinc/27/90/00/312279000.db2.gz ZLZMFJCBGPHCPY-AZUAARDMSA-N 2 2 334.479 3.380 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCSC1 ZINC000515710349 312295151 /nfs/dbraw/zinc/29/51/51/312295151.db2.gz GTWJXJUMINMCPD-QWFMPGPPSA-N 2 2 326.456 3.238 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC(CCC[NH+](C)C)CC1 ZINC000516088453 312308351 /nfs/dbraw/zinc/30/83/51/312308351.db2.gz FZLRDKPFOCMPIU-UHFFFAOYSA-N 2 2 332.492 3.229 20 0 EGADLP CC(C)Oc1cccc(C[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000517214020 312368354 /nfs/dbraw/zinc/36/83/54/312368354.db2.gz ISCNBYPZQDCTOX-KRWDZBQOSA-N 2 2 332.488 3.159 20 0 EGADLP CC(C)Oc1cccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000517214020 312368357 /nfs/dbraw/zinc/36/83/57/312368357.db2.gz ISCNBYPZQDCTOX-KRWDZBQOSA-N 2 2 332.488 3.159 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227992 312370155 /nfs/dbraw/zinc/37/01/55/312370155.db2.gz GLACQLYBNBXSQH-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227992 312370156 /nfs/dbraw/zinc/37/01/56/312370156.db2.gz GLACQLYBNBXSQH-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227992 312370159 /nfs/dbraw/zinc/37/01/59/312370159.db2.gz GLACQLYBNBXSQH-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227992 312370160 /nfs/dbraw/zinc/37/01/60/312370160.db2.gz GLACQLYBNBXSQH-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP CN(C)c1nc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc[nH+]1 ZINC000524857175 312684392 /nfs/dbraw/zinc/68/43/92/312684392.db2.gz WYNKRUOEZWAEKW-UHFFFAOYSA-N 2 2 347.466 3.018 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1F)Cn1cc[nH+]c1 ZINC000527648984 312898413 /nfs/dbraw/zinc/89/84/13/312898413.db2.gz LXKDXCVCSQOQGL-JTQLQIEISA-N 2 2 344.203 3.350 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570679 313359175 /nfs/dbraw/zinc/35/91/75/313359175.db2.gz WZLUAJJJOCFRCT-GWCFXTLKSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570679 313359177 /nfs/dbraw/zinc/35/91/77/313359177.db2.gz WZLUAJJJOCFRCT-GWCFXTLKSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570679 313359178 /nfs/dbraw/zinc/35/91/78/313359178.db2.gz WZLUAJJJOCFRCT-GWCFXTLKSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570679 313359179 /nfs/dbraw/zinc/35/91/79/313359179.db2.gz WZLUAJJJOCFRCT-GWCFXTLKSA-N 2 2 347.247 3.499 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123025 313876704 /nfs/dbraw/zinc/87/67/04/313876704.db2.gz IHLRBHKOGGQKCS-UYAOXDASSA-N 2 2 347.466 3.433 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534860817 314003043 /nfs/dbraw/zinc/00/30/43/314003043.db2.gz MAKPWFMFLOERHV-MRXNPFEDSA-N 2 2 344.503 3.043 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)c[nH+]1 ZINC000535746992 314066939 /nfs/dbraw/zinc/06/69/39/314066939.db2.gz JFENPTWUTNNQBO-UHFFFAOYSA-N 2 2 335.411 3.303 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000536696221 314139234 /nfs/dbraw/zinc/13/92/34/314139234.db2.gz OYYVDNJXSGXSJA-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000536696221 314139235 /nfs/dbraw/zinc/13/92/35/314139235.db2.gz OYYVDNJXSGXSJA-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCn1cc[nH+]c1 ZINC000536784302 314145183 /nfs/dbraw/zinc/14/51/83/314145183.db2.gz SKIWDFCDTSDSPY-MRXNPFEDSA-N 2 2 335.835 3.163 20 0 EGADLP CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCn1cc[nH+]c1 ZINC000536784302 314145187 /nfs/dbraw/zinc/14/51/87/314145187.db2.gz SKIWDFCDTSDSPY-MRXNPFEDSA-N 2 2 335.835 3.163 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537093865 314160933 /nfs/dbraw/zinc/16/09/33/314160933.db2.gz FFIPNUHGKQOAFD-QGZVFWFLSA-N 2 2 342.405 3.203 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000537296725 314173105 /nfs/dbraw/zinc/17/31/05/314173105.db2.gz WYQLKEZJUUXSJU-CVEARBPZSA-N 2 2 330.472 3.411 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@@H](C)C1 ZINC000537455261 314182315 /nfs/dbraw/zinc/18/23/15/314182315.db2.gz BPROTGPKNGJDFC-HKUYNNGSSA-N 2 2 348.535 3.477 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@@H](C)C1 ZINC000537455261 314182317 /nfs/dbraw/zinc/18/23/17/314182317.db2.gz BPROTGPKNGJDFC-HKUYNNGSSA-N 2 2 348.535 3.477 20 0 EGADLP CC[C@H](C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724169 314270226 /nfs/dbraw/zinc/27/02/26/314270226.db2.gz WINMXIRCXWMMED-SFHLNBCPSA-N 2 2 329.532 3.138 20 0 EGADLP CC[C@H](C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724169 314270230 /nfs/dbraw/zinc/27/02/30/314270230.db2.gz WINMXIRCXWMMED-SFHLNBCPSA-N 2 2 329.532 3.138 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123654 314298398 /nfs/dbraw/zinc/29/83/98/314298398.db2.gz WQUKFBRXZGODBH-IUODEOHRSA-N 2 2 328.378 3.200 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123654 314298401 /nfs/dbraw/zinc/29/84/01/314298401.db2.gz WQUKFBRXZGODBH-IUODEOHRSA-N 2 2 328.378 3.200 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000541572527 314470339 /nfs/dbraw/zinc/47/03/39/314470339.db2.gz QBIJOBTYRCPNEF-ZVBPTUHVSA-N 2 2 343.515 3.011 20 0 EGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cn2ccccc2n1 ZINC000548385441 315002179 /nfs/dbraw/zinc/00/21/79/315002179.db2.gz BXNLKDGXVBPJTE-KRWDZBQOSA-N 2 2 345.450 3.472 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@@H+]1C1CC1 ZINC000549923417 315110798 /nfs/dbraw/zinc/11/07/98/315110798.db2.gz KFAVLEJHNIHPSG-GDBMZVCRSA-N 2 2 346.544 3.269 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@H+]1C1CC1 ZINC000549923417 315110801 /nfs/dbraw/zinc/11/08/01/315110801.db2.gz KFAVLEJHNIHPSG-GDBMZVCRSA-N 2 2 346.544 3.269 20 0 EGADLP Cc1ccc2[nH+]c(CNC[C@@H](C(C)C)[NH+]3CCC(C)CC3)cn2c1 ZINC000551226074 315145698 /nfs/dbraw/zinc/14/56/98/315145698.db2.gz BWPTYXVTXIYIHJ-IBGZPJMESA-N 2 2 328.504 3.489 20 0 EGADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551274128 315147853 /nfs/dbraw/zinc/14/78/53/315147853.db2.gz BSHGDNZLDSZNNF-NJYVYQBISA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551274128 315147857 /nfs/dbraw/zinc/14/78/57/315147857.db2.gz BSHGDNZLDSZNNF-NJYVYQBISA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000553486674 315266363 /nfs/dbraw/zinc/26/63/63/315266363.db2.gz WVMGLRLMTLCRKY-UHFFFAOYSA-N 2 2 333.863 3.435 20 0 EGADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2sccc2Cl)c2ccccc2)CC1 ZINC000555525730 315387651 /nfs/dbraw/zinc/38/76/51/315387651.db2.gz KUHPMUWTPFJMIV-KRWDZBQOSA-N 2 2 349.931 3.480 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000556873389 315478556 /nfs/dbraw/zinc/47/85/56/315478556.db2.gz WYKJIQMSIFFANZ-RXVVDRJESA-N 2 2 338.499 3.029 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)C[NH+]1CCCC1 ZINC000562282310 315811972 /nfs/dbraw/zinc/81/19/72/315811972.db2.gz SKVQUORZFRIQFJ-SFHVURJKSA-N 2 2 344.430 3.164 20 0 EGADLP Oc1cc(F)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000564507298 316159773 /nfs/dbraw/zinc/15/97/73/316159773.db2.gz ULUOPPQGRVVGOP-RTBURBONSA-N 2 2 340.442 3.485 20 0 EGADLP Oc1cc(F)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000564507298 316159777 /nfs/dbraw/zinc/15/97/77/316159777.db2.gz ULUOPPQGRVVGOP-RTBURBONSA-N 2 2 340.442 3.485 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)n1C ZINC000564879049 316225761 /nfs/dbraw/zinc/22/57/61/316225761.db2.gz PCPOAQOPYKAYJA-UHFFFAOYSA-N 2 2 334.414 3.144 20 0 EGADLP C[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072098 316261112 /nfs/dbraw/zinc/26/11/12/316261112.db2.gz ZRXOPVXTEGUCGB-KGLIPLIRSA-N 2 2 347.488 3.161 20 0 EGADLP C[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072098 316261117 /nfs/dbraw/zinc/26/11/17/316261117.db2.gz ZRXOPVXTEGUCGB-KGLIPLIRSA-N 2 2 347.488 3.161 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)c1OC ZINC000565156871 316277354 /nfs/dbraw/zinc/27/73/54/316277354.db2.gz MYTYLLKNTDLCRR-QWHCGFSZSA-N 2 2 347.484 3.139 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)c1OC ZINC000565156871 316277358 /nfs/dbraw/zinc/27/73/58/316277358.db2.gz MYTYLLKNTDLCRR-QWHCGFSZSA-N 2 2 347.484 3.139 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)oc1C ZINC000565282651 316302729 /nfs/dbraw/zinc/30/27/29/316302729.db2.gz LQESJDHCBSNBJT-ZDUSSCGKSA-N 2 2 343.427 3.407 20 0 EGADLP Fc1ccc([C@H](NC[C@@H]2[NH2+]CCc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000566614233 316503135 /nfs/dbraw/zinc/50/31/35/316503135.db2.gz WZUYEAOCOYHLPE-OALUTQOASA-N 2 2 336.414 3.115 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000571725475 317237434 /nfs/dbraw/zinc/23/74/34/317237434.db2.gz LJOFNLQUHBPWIY-LBPRGKRZSA-N 2 2 330.303 3.491 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000571725475 317237439 /nfs/dbraw/zinc/23/74/39/317237439.db2.gz LJOFNLQUHBPWIY-LBPRGKRZSA-N 2 2 330.303 3.491 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571752167 317242225 /nfs/dbraw/zinc/24/22/25/317242225.db2.gz BUYGEUFVZREXPJ-YOEHRIQHSA-N 2 2 341.846 3.033 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000571752167 317242227 /nfs/dbraw/zinc/24/22/27/317242227.db2.gz BUYGEUFVZREXPJ-YOEHRIQHSA-N 2 2 341.846 3.033 20 0 EGADLP C[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896081 317263690 /nfs/dbraw/zinc/26/36/90/317263690.db2.gz YMZDIIZRLAWFOW-BEFAXECRSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896081 317263692 /nfs/dbraw/zinc/26/36/92/317263692.db2.gz YMZDIIZRLAWFOW-BEFAXECRSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309937 456135507 /nfs/dbraw/zinc/13/55/07/456135507.db2.gz MRWRXZPOENFLCY-UWVGGRQHSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309937 456135515 /nfs/dbraw/zinc/13/55/15/456135515.db2.gz MRWRXZPOENFLCY-UWVGGRQHSA-N 2 2 333.220 3.300 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000236072778 456155214 /nfs/dbraw/zinc/15/52/14/456155214.db2.gz LOQBBKBDVAZJRO-LLVKDONJSA-N 2 2 329.669 3.429 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000236072778 456155221 /nfs/dbraw/zinc/15/52/21/456155221.db2.gz LOQBBKBDVAZJRO-LLVKDONJSA-N 2 2 329.669 3.429 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290553643 456363200 /nfs/dbraw/zinc/36/32/00/456363200.db2.gz RXYNRHHTZKHESL-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290553643 456363205 /nfs/dbraw/zinc/36/32/05/456363205.db2.gz RXYNRHHTZKHESL-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290553643 456363210 /nfs/dbraw/zinc/36/32/10/456363210.db2.gz RXYNRHHTZKHESL-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202614 323374233 /nfs/dbraw/zinc/37/42/33/323374233.db2.gz JYPWSYFTZFXAFW-UWVGGRQHSA-N 2 2 330.295 3.041 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202614 323374236 /nfs/dbraw/zinc/37/42/36/323374236.db2.gz JYPWSYFTZFXAFW-UWVGGRQHSA-N 2 2 330.295 3.041 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]2CCCO[C@@H]21 ZINC000181471200 323485254 /nfs/dbraw/zinc/48/52/54/323485254.db2.gz JBZAPGGYWNGGNP-QRVBRYPASA-N 2 2 325.456 3.225 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000350260716 324064829 /nfs/dbraw/zinc/06/48/29/324064829.db2.gz QSVSXVJUFLSWLR-CYBMUJFWSA-N 2 2 325.416 3.010 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000350260716 324064834 /nfs/dbraw/zinc/06/48/34/324064834.db2.gz QSVSXVJUFLSWLR-CYBMUJFWSA-N 2 2 325.416 3.010 20 0 EGADLP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386903387 324270311 /nfs/dbraw/zinc/27/03/11/324270311.db2.gz ZDNKMKLJNUHCPF-WMZOPIPTSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386903387 324270313 /nfs/dbraw/zinc/27/03/13/324270313.db2.gz ZDNKMKLJNUHCPF-WMZOPIPTSA-N 2 2 334.467 3.318 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389860071 324281139 /nfs/dbraw/zinc/28/11/39/324281139.db2.gz FZNDHJATUZKIQC-KXBFYZLASA-N 2 2 328.431 3.444 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389860071 324281144 /nfs/dbraw/zinc/28/11/44/324281144.db2.gz FZNDHJATUZKIQC-KXBFYZLASA-N 2 2 328.431 3.444 20 0 EGADLP C[C@@H]([NH3+])CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000575751369 324473173 /nfs/dbraw/zinc/47/31/73/324473173.db2.gz CERFEAAYYCGEDH-OAHLLOKOSA-N 2 2 345.437 3.019 20 0 EGADLP Cc1[nH]c(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)[nH+]c1C ZINC000578083663 324916226 /nfs/dbraw/zinc/91/62/26/324916226.db2.gz BDOYEPAPPGSLDL-UHFFFAOYSA-N 2 2 341.503 3.477 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1C ZINC000579734164 325152885 /nfs/dbraw/zinc/15/28/85/325152885.db2.gz UAHOISONZZPRHC-UHFFFAOYSA-N 3 2 326.488 3.394 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097179 325204057 /nfs/dbraw/zinc/20/40/57/325204057.db2.gz DBWGEWDEXCKGBN-IEBWSBKVSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097179 325204060 /nfs/dbraw/zinc/20/40/60/325204060.db2.gz DBWGEWDEXCKGBN-IEBWSBKVSA-N 2 2 345.531 3.213 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000580247794 325222474 /nfs/dbraw/zinc/22/24/74/325222474.db2.gz QAMUSYLOZLWGDP-UHFFFAOYSA-N 2 2 339.483 3.482 20 0 EGADLP c1nn(-c2ccccc2)c2nc[nH+]c(NC3CC[NH+](C4CCC4)CC3)c12 ZINC000580277927 325226746 /nfs/dbraw/zinc/22/67/46/325226746.db2.gz YQDLEKWIUPBWHL-UHFFFAOYSA-N 2 2 348.454 3.244 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1ccncc1 ZINC000581233130 325343962 /nfs/dbraw/zinc/34/39/62/325343962.db2.gz WQCJZWAHTBQLSR-MSOLQXFVSA-N 2 2 338.455 3.150 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1C ZINC000581440383 325362089 /nfs/dbraw/zinc/36/20/89/325362089.db2.gz FSTWFOFHMQQWDU-INIZCTEOSA-N 3 2 326.488 3.250 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1C ZINC000581440383 325362090 /nfs/dbraw/zinc/36/20/90/325362090.db2.gz FSTWFOFHMQQWDU-INIZCTEOSA-N 3 2 326.488 3.250 20 0 EGADLP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000581773563 325390341 /nfs/dbraw/zinc/39/03/41/325390341.db2.gz YOJRGSVUTKAAIJ-GOSISDBHSA-N 2 2 343.858 3.434 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000582176363 325420197 /nfs/dbraw/zinc/42/01/97/325420197.db2.gz PHIFLONELTZUSM-KRWDZBQOSA-N 2 2 338.373 3.145 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c2ccccc21 ZINC000583558857 325533806 /nfs/dbraw/zinc/53/38/06/325533806.db2.gz PTDULZUBDUAGDA-AQNXPRMDSA-N 2 2 335.451 3.085 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693503 457115032 /nfs/dbraw/zinc/11/50/32/457115032.db2.gz NKQUXSBGDNZSBM-ONGXEEELSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693503 457115038 /nfs/dbraw/zinc/11/50/38/457115038.db2.gz NKQUXSBGDNZSBM-ONGXEEELSA-N 2 2 349.219 3.220 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)C[NH+]1CCCC1 ZINC000237967044 455238729 /nfs/dbraw/zinc/23/87/29/455238729.db2.gz KNVQGWBWKLXYMO-CQSZACIVSA-N 2 2 334.847 3.146 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750904 455239221 /nfs/dbraw/zinc/23/92/21/455239221.db2.gz BAHUKKAWOVEGBE-GJZGRUSLSA-N 2 2 330.501 3.189 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750904 455239227 /nfs/dbraw/zinc/23/92/27/455239227.db2.gz BAHUKKAWOVEGBE-GJZGRUSLSA-N 2 2 330.501 3.189 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750904 455239230 /nfs/dbraw/zinc/23/92/30/455239230.db2.gz BAHUKKAWOVEGBE-GJZGRUSLSA-N 2 2 330.501 3.189 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750904 455239236 /nfs/dbraw/zinc/23/92/36/455239236.db2.gz BAHUKKAWOVEGBE-GJZGRUSLSA-N 2 2 330.501 3.189 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059405 459041428 /nfs/dbraw/zinc/04/14/28/459041428.db2.gz XOGYMAVMDQEJSW-BLLLJJGKSA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059405 459041433 /nfs/dbraw/zinc/04/14/33/459041433.db2.gz XOGYMAVMDQEJSW-BLLLJJGKSA-N 2 2 331.287 3.347 20 0 EGADLP C[C@H]1CN(c2ccc(CNc3cc[nH+]c4ccccc34)c[nH+]2)CCO1 ZINC000264656050 455257576 /nfs/dbraw/zinc/25/75/76/455257576.db2.gz QNUXUZUYOVDREQ-HNNXBMFYSA-N 2 2 334.423 3.467 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2coc(-c3ccccc3C(F)(F)F)n2)CCC1 ZINC000631823385 460573508 /nfs/dbraw/zinc/57/35/08/460573508.db2.gz CRASHEVAFHPCFI-UHFFFAOYSA-N 2 2 325.334 3.331 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265476917 455332193 /nfs/dbraw/zinc/33/21/93/455332193.db2.gz JSNMMNZIQBASGN-GFCCVEGCSA-N 2 2 332.835 3.270 20 0 EGADLP O=C(CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000631869123 460584249 /nfs/dbraw/zinc/58/42/49/460584249.db2.gz SYQBSDFRQSJOOC-BZNIZROVSA-N 2 2 342.270 3.054 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190597834 455350285 /nfs/dbraw/zinc/35/02/85/455350285.db2.gz HXMYIMRFQZVJDK-AWEZNQCLSA-N 2 2 347.322 3.130 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190597834 455350291 /nfs/dbraw/zinc/35/02/91/455350291.db2.gz HXMYIMRFQZVJDK-AWEZNQCLSA-N 2 2 347.322 3.130 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075158625 453867692 /nfs/dbraw/zinc/86/76/92/453867692.db2.gz ANDPCXKOQICUNV-KRWDZBQOSA-N 2 2 340.471 3.127 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075158625 453867695 /nfs/dbraw/zinc/86/76/95/453867695.db2.gz ANDPCXKOQICUNV-KRWDZBQOSA-N 2 2 340.471 3.127 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783980 455378992 /nfs/dbraw/zinc/37/89/92/455378992.db2.gz UXQCZIAQZSPYHR-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783980 455378993 /nfs/dbraw/zinc/37/89/93/455378993.db2.gz UXQCZIAQZSPYHR-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783980 455378994 /nfs/dbraw/zinc/37/89/94/455378994.db2.gz UXQCZIAQZSPYHR-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783980 455378995 /nfs/dbraw/zinc/37/89/95/455378995.db2.gz UXQCZIAQZSPYHR-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635906 453898816 /nfs/dbraw/zinc/89/88/16/453898816.db2.gz XMXTXWLJOAZZEP-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635906 453898821 /nfs/dbraw/zinc/89/88/21/453898821.db2.gz XMXTXWLJOAZZEP-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081635906 453898823 /nfs/dbraw/zinc/89/88/23/453898823.db2.gz XMXTXWLJOAZZEP-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635906 453898827 /nfs/dbraw/zinc/89/88/27/453898827.db2.gz XMXTXWLJOAZZEP-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075834512 453929383 /nfs/dbraw/zinc/92/93/83/453929383.db2.gz UFEPQNJNVDSXIT-IBGZPJMESA-N 2 2 343.515 3.236 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075834512 453929387 /nfs/dbraw/zinc/92/93/87/453929387.db2.gz UFEPQNJNVDSXIT-IBGZPJMESA-N 2 2 343.515 3.236 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500587 453935999 /nfs/dbraw/zinc/93/59/99/453935999.db2.gz NFAXDGHJIXTZEI-CQSZACIVSA-N 2 2 341.434 3.251 20 0 EGADLP FC(F)n1ccnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000076198820 453978884 /nfs/dbraw/zinc/97/88/84/453978884.db2.gz SHROXCDZHCNCKE-UHFFFAOYSA-N 2 2 326.435 3.366 20 0 EGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068351987 454019463 /nfs/dbraw/zinc/01/94/63/454019463.db2.gz IWKFAOXCSAQDFG-UHFFFAOYSA-N 2 2 336.439 3.058 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000076730464 454030918 /nfs/dbraw/zinc/03/09/18/454030918.db2.gz URHBCYBMSALGAS-OAHLLOKOSA-N 2 2 338.496 3.111 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000076730464 454030920 /nfs/dbraw/zinc/03/09/20/454030920.db2.gz URHBCYBMSALGAS-OAHLLOKOSA-N 2 2 338.496 3.111 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000042933737 454032409 /nfs/dbraw/zinc/03/24/09/454032409.db2.gz MVGGZZIPBNFCLN-GOSISDBHSA-N 2 2 336.439 3.342 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000042933737 454032411 /nfs/dbraw/zinc/03/24/11/454032411.db2.gz MVGGZZIPBNFCLN-GOSISDBHSA-N 2 2 336.439 3.342 20 0 EGADLP C[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000076827494 454040522 /nfs/dbraw/zinc/04/05/22/454040522.db2.gz ZTFXHFIEAORLNR-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP C[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000076827494 454040523 /nfs/dbraw/zinc/04/05/23/454040523.db2.gz ZTFXHFIEAORLNR-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000119316971 454185486 /nfs/dbraw/zinc/18/54/86/454185486.db2.gz CAYWFSWXEDUIML-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000119316971 454185489 /nfs/dbraw/zinc/18/54/89/454185489.db2.gz CAYWFSWXEDUIML-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP Cc1cn2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2[nH+]1 ZINC000071540834 454208752 /nfs/dbraw/zinc/20/87/52/454208752.db2.gz MAHWNJPZRCBQGF-LJQANCHMSA-N 2 2 348.450 3.210 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047142 454266507 /nfs/dbraw/zinc/26/65/07/454266507.db2.gz GWULFDSUXFLADM-HKUYNNGSSA-N 2 2 332.488 3.218 20 0 EGADLP CC(C)c1cc(N2CCC([N@H+](C)CCCO)CC2)nc(C(C)C)[nH+]1 ZINC000090093196 454277956 /nfs/dbraw/zinc/27/79/56/454277956.db2.gz HXTCWYFGECQZFX-UHFFFAOYSA-N 2 2 334.508 3.006 20 0 EGADLP CC(C)c1cc(N2CCC([N@@H+](C)CCCO)CC2)nc(C(C)C)[nH+]1 ZINC000090093196 454277961 /nfs/dbraw/zinc/27/79/61/454277961.db2.gz HXTCWYFGECQZFX-UHFFFAOYSA-N 2 2 334.508 3.006 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131826372 454289211 /nfs/dbraw/zinc/28/92/11/454289211.db2.gz DJLNJQSOZZZYRS-LJQANCHMSA-N 2 2 339.439 3.297 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131826372 454289215 /nfs/dbraw/zinc/28/92/15/454289215.db2.gz DJLNJQSOZZZYRS-LJQANCHMSA-N 2 2 339.439 3.297 20 0 EGADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090846829 454344797 /nfs/dbraw/zinc/34/47/97/454344797.db2.gz HCCNHSUFICHJON-HNNXBMFYSA-N 2 2 332.469 3.077 20 0 EGADLP Clc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc2c1OCCO2 ZINC000266721649 455442872 /nfs/dbraw/zinc/44/28/72/455442872.db2.gz HRHGTKAMCQQVKI-UHFFFAOYSA-N 2 2 333.819 3.214 20 0 EGADLP CCc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)o2)cc1 ZINC000072922113 454363181 /nfs/dbraw/zinc/36/31/81/454363181.db2.gz RRXQCOBZOSILLP-UHFFFAOYSA-N 2 2 342.483 3.445 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254671 454373209 /nfs/dbraw/zinc/37/32/09/454373209.db2.gz LCXBYTJIBDKLTC-LBPRGKRZSA-N 2 2 338.249 3.080 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)o3)c2)CCO1 ZINC000063524477 454422090 /nfs/dbraw/zinc/42/20/90/454422090.db2.gz XPRDLYFBFANLBD-AWEZNQCLSA-N 2 2 334.847 3.444 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)o3)c2)CCO1 ZINC000063524477 454422095 /nfs/dbraw/zinc/42/20/95/454422095.db2.gz XPRDLYFBFANLBD-AWEZNQCLSA-N 2 2 334.847 3.444 20 0 EGADLP CCOc1cc2c(cc1C[NH2+]C1CC[NH+](C3CC3)CC1)O[C@H](C)C2 ZINC000073381148 454429630 /nfs/dbraw/zinc/42/96/30/454429630.db2.gz ZITHJLUEKMYHDW-CQSZACIVSA-N 2 2 330.472 3.125 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000121633826 454460665 /nfs/dbraw/zinc/46/06/65/454460665.db2.gz ZBVXSJFOHTWWCG-HNNXBMFYSA-N 2 2 344.484 3.485 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000121633826 454460670 /nfs/dbraw/zinc/46/06/70/454460670.db2.gz ZBVXSJFOHTWWCG-HNNXBMFYSA-N 2 2 344.484 3.485 20 0 EGADLP O=C(Cc1cn2ccccc2[nH+]1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091788196 454470936 /nfs/dbraw/zinc/47/09/36/454470936.db2.gz QEFOKWLZIHTBSE-UHFFFAOYSA-N 2 2 348.450 3.154 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000634980809 460639239 /nfs/dbraw/zinc/63/92/39/460639239.db2.gz OBIUBDQTFRACED-APWZRJJASA-N 2 2 332.451 3.382 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000634980809 460639246 /nfs/dbraw/zinc/63/92/46/460639246.db2.gz OBIUBDQTFRACED-APWZRJJASA-N 2 2 332.451 3.382 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)CCO1 ZINC000092078753 454517900 /nfs/dbraw/zinc/51/79/00/454517900.db2.gz LCTYNTCDDNGWFX-CQSZACIVSA-N 2 2 332.419 3.257 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)CCO1 ZINC000092078753 454517902 /nfs/dbraw/zinc/51/79/02/454517902.db2.gz LCTYNTCDDNGWFX-CQSZACIVSA-N 2 2 332.419 3.257 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246244096 455456900 /nfs/dbraw/zinc/45/69/00/455456900.db2.gz VFTUFGKBESOFRM-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246244096 455456905 /nfs/dbraw/zinc/45/69/05/455456905.db2.gz VFTUFGKBESOFRM-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134622862 454570566 /nfs/dbraw/zinc/57/05/66/454570566.db2.gz DKPAAVRMUPTERI-MRXNPFEDSA-N 2 2 346.434 3.258 20 0 EGADLP C[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000134622862 454570573 /nfs/dbraw/zinc/57/05/73/454570573.db2.gz DKPAAVRMUPTERI-MRXNPFEDSA-N 2 2 346.434 3.258 20 0 EGADLP Fc1ccc(-n2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cn2)cc1 ZINC000092659297 454604349 /nfs/dbraw/zinc/60/43/49/454604349.db2.gz HCAKTSGXFSGEAM-UHFFFAOYSA-N 2 2 325.391 3.045 20 0 EGADLP CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134898174 454604703 /nfs/dbraw/zinc/60/47/03/454604703.db2.gz WLVQKSYOAMCCOP-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134898174 454604706 /nfs/dbraw/zinc/60/47/06/454604706.db2.gz WLVQKSYOAMCCOP-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134898174 454604711 /nfs/dbraw/zinc/60/47/11/454604711.db2.gz WLVQKSYOAMCCOP-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134898174 454604717 /nfs/dbraw/zinc/60/47/17/454604717.db2.gz WLVQKSYOAMCCOP-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000080933711 454650778 /nfs/dbraw/zinc/65/07/78/454650778.db2.gz UVZXQUKCYWQCMG-ZDUSSCGKSA-N 2 2 333.819 3.214 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000080933711 454650781 /nfs/dbraw/zinc/65/07/81/454650781.db2.gz UVZXQUKCYWQCMG-ZDUSSCGKSA-N 2 2 333.819 3.214 20 0 EGADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000123803229 454677114 /nfs/dbraw/zinc/67/71/14/454677114.db2.gz PPUYJPYFVMLKRB-LSDHHAIUSA-N 2 2 348.516 3.429 20 0 EGADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000123803229 454677116 /nfs/dbraw/zinc/67/71/16/454677116.db2.gz PPUYJPYFVMLKRB-LSDHHAIUSA-N 2 2 348.516 3.429 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCO)Cc1cccnc1 ZINC000093086151 454680048 /nfs/dbraw/zinc/68/00/48/454680048.db2.gz PGZPZFRIPZDEFG-UHFFFAOYSA-N 2 2 341.499 3.034 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCO)Cc1cccnc1 ZINC000093086151 454680052 /nfs/dbraw/zinc/68/00/52/454680052.db2.gz PGZPZFRIPZDEFG-UHFFFAOYSA-N 2 2 341.499 3.034 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](CCO)Cc1cccnc1 ZINC000093086151 454680057 /nfs/dbraw/zinc/68/00/57/454680057.db2.gz PGZPZFRIPZDEFG-UHFFFAOYSA-N 2 2 341.499 3.034 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](CCO)Cc1cccnc1 ZINC000093086151 454680061 /nfs/dbraw/zinc/68/00/61/454680061.db2.gz PGZPZFRIPZDEFG-UHFFFAOYSA-N 2 2 341.499 3.034 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCC(=O)N(C)CC)CC1 ZINC000093302119 454701136 /nfs/dbraw/zinc/70/11/36/454701136.db2.gz WPJPLLGWVODGGP-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000152746217 454720543 /nfs/dbraw/zinc/72/05/43/454720543.db2.gz JYEXJXIJMYEGDD-OAHLLOKOSA-N 2 2 343.471 3.438 20 0 EGADLP CC(C)CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664948 454726612 /nfs/dbraw/zinc/72/66/12/454726612.db2.gz PSSRHIDRTYUJLL-FQEVSTJZSA-N 2 2 346.515 3.266 20 0 EGADLP CC(C)CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664948 454726617 /nfs/dbraw/zinc/72/66/17/454726617.db2.gz PSSRHIDRTYUJLL-FQEVSTJZSA-N 2 2 346.515 3.266 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194763 454728010 /nfs/dbraw/zinc/72/80/10/454728010.db2.gz PLZAKWKRFLRXOI-DYVFJYSZSA-N 2 2 326.843 3.241 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194763 454728012 /nfs/dbraw/zinc/72/80/12/454728012.db2.gz PLZAKWKRFLRXOI-DYVFJYSZSA-N 2 2 326.843 3.241 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093693338 454730627 /nfs/dbraw/zinc/73/06/27/454730627.db2.gz WTUITFIZZFQBOG-HNNXBMFYSA-N 2 2 330.451 3.380 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093693338 454730630 /nfs/dbraw/zinc/73/06/30/454730630.db2.gz WTUITFIZZFQBOG-HNNXBMFYSA-N 2 2 330.451 3.380 20 0 EGADLP FC(F)COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865808 454742092 /nfs/dbraw/zinc/74/20/92/454742092.db2.gz XLBNPNHSLZIIBQ-KRWDZBQOSA-N 2 2 334.366 3.379 20 0 EGADLP FC(F)COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865808 454742094 /nfs/dbraw/zinc/74/20/94/454742094.db2.gz XLBNPNHSLZIIBQ-KRWDZBQOSA-N 2 2 334.366 3.379 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635008381 460651981 /nfs/dbraw/zinc/65/19/81/460651981.db2.gz JNDIANOMTLFGHY-ZYHUDNBSSA-N 2 2 336.785 3.215 20 0 EGADLP CCCCOc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000620439869 460652490 /nfs/dbraw/zinc/65/24/90/460652490.db2.gz SLNUPMGYUPMKTM-FQEVSTJZSA-N 2 2 334.504 3.312 20 0 EGADLP CCCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000620439869 460652496 /nfs/dbraw/zinc/65/24/96/460652496.db2.gz SLNUPMGYUPMKTM-FQEVSTJZSA-N 2 2 334.504 3.312 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000124709394 454762618 /nfs/dbraw/zinc/76/26/18/454762618.db2.gz UQLPWKBHYLDZDT-OAHLLOKOSA-N 2 2 339.886 3.081 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000124709394 454762621 /nfs/dbraw/zinc/76/26/21/454762621.db2.gz UQLPWKBHYLDZDT-OAHLLOKOSA-N 2 2 339.886 3.081 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153210960 454771336 /nfs/dbraw/zinc/77/13/36/454771336.db2.gz IXHMECCZZAJABC-XJKSGUPXSA-N 2 2 340.920 3.435 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(-c2ccncc2)c1 ZINC000153359346 454786280 /nfs/dbraw/zinc/78/62/80/454786280.db2.gz ZEHSOGDUQZWNTR-ZWKOTPCHSA-N 2 2 339.483 3.368 20 0 EGADLP Oc1ccc(C2=CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000176995409 454809506 /nfs/dbraw/zinc/80/95/06/454809506.db2.gz WGZQUGPFKLSJJW-UHFFFAOYSA-N 2 2 332.407 3.262 20 0 EGADLP Oc1ccc(C2=CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000176995409 454809508 /nfs/dbraw/zinc/80/95/08/454809508.db2.gz WGZQUGPFKLSJJW-UHFFFAOYSA-N 2 2 332.407 3.262 20 0 EGADLP Cc1ccc(OCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000162955100 454812438 /nfs/dbraw/zinc/81/24/38/454812438.db2.gz ILMKZTLUOMTKHC-UHFFFAOYSA-N 2 2 346.394 3.010 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000153711484 454823879 /nfs/dbraw/zinc/82/38/79/454823879.db2.gz BWLCNCNNZIGZJH-IYOUNJFTSA-N 3 2 330.451 3.138 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000153711484 454823883 /nfs/dbraw/zinc/82/38/83/454823883.db2.gz BWLCNCNNZIGZJH-IYOUNJFTSA-N 3 2 330.451 3.138 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212572 454831106 /nfs/dbraw/zinc/83/11/06/454831106.db2.gz VWZZBFHWBGGUHV-GHMZBOCLSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212572 454831111 /nfs/dbraw/zinc/83/11/11/454831111.db2.gz VWZZBFHWBGGUHV-GHMZBOCLSA-N 2 2 347.684 3.150 20 0 EGADLP COC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153975244 454852506 /nfs/dbraw/zinc/85/25/06/454852506.db2.gz CEMDSKLOJHEWJD-PKOBYXMFSA-N 2 2 334.504 3.147 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000125863810 454852718 /nfs/dbraw/zinc/85/27/18/454852718.db2.gz HQYBTWWUEMDCFA-GFCCVEGCSA-N 2 2 347.272 3.207 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000125863810 454852722 /nfs/dbraw/zinc/85/27/22/454852722.db2.gz HQYBTWWUEMDCFA-GFCCVEGCSA-N 2 2 347.272 3.207 20 0 EGADLP CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154037846 454859868 /nfs/dbraw/zinc/85/98/68/454859868.db2.gz OHFVJFDYWQSALD-DLBZAZTESA-N 2 2 326.444 3.047 20 0 EGADLP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154037846 454859871 /nfs/dbraw/zinc/85/98/71/454859871.db2.gz OHFVJFDYWQSALD-DLBZAZTESA-N 2 2 326.444 3.047 20 0 EGADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]1 ZINC000154047204 454860867 /nfs/dbraw/zinc/86/08/67/454860867.db2.gz LOYHYLXUWXWTPC-HNNXBMFYSA-N 2 2 341.459 3.365 20 0 EGADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]1 ZINC000154047204 454860871 /nfs/dbraw/zinc/86/08/71/454860871.db2.gz LOYHYLXUWXWTPC-HNNXBMFYSA-N 2 2 341.459 3.365 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000154077135 454862734 /nfs/dbraw/zinc/86/27/34/454862734.db2.gz NOJPYPYBAAOVQK-NEWSRXKRSA-N 2 2 327.472 3.135 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000154077135 454862738 /nfs/dbraw/zinc/86/27/38/454862738.db2.gz NOJPYPYBAAOVQK-NEWSRXKRSA-N 2 2 327.472 3.135 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000163807772 454865381 /nfs/dbraw/zinc/86/53/81/454865381.db2.gz PBQIWHKMELHJIR-QGZVFWFLSA-N 3 2 342.487 3.175 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000126081131 454869951 /nfs/dbraw/zinc/86/99/51/454869951.db2.gz FQYKBUPFRFBDRW-INIZCTEOSA-N 2 2 335.458 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000126081131 454869955 /nfs/dbraw/zinc/86/99/55/454869955.db2.gz FQYKBUPFRFBDRW-INIZCTEOSA-N 2 2 335.458 3.257 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)c1 ZINC000164651254 454887804 /nfs/dbraw/zinc/88/78/04/454887804.db2.gz CBHRMLPBHRDZPZ-UHFFFAOYSA-N 3 2 344.547 3.292 20 0 EGADLP O=C(CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000164966513 454891832 /nfs/dbraw/zinc/89/18/32/454891832.db2.gz ALXZZVZKUBZDPM-FQEVSTJZSA-N 2 2 337.467 3.269 20 0 EGADLP O=C(CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000164966513 454891835 /nfs/dbraw/zinc/89/18/35/454891835.db2.gz ALXZZVZKUBZDPM-FQEVSTJZSA-N 2 2 337.467 3.269 20 0 EGADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112635364 454893070 /nfs/dbraw/zinc/89/30/70/454893070.db2.gz ARSUBDUCMBGKKO-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150837178 454899674 /nfs/dbraw/zinc/89/96/74/454899674.db2.gz VSKBRINNVMVOMF-HZPDHXFCSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150837178 454899679 /nfs/dbraw/zinc/89/96/79/454899679.db2.gz VSKBRINNVMVOMF-HZPDHXFCSA-N 2 2 326.444 3.215 20 0 EGADLP CC(C)[NH2+]CCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000165827395 454904478 /nfs/dbraw/zinc/90/44/78/454904478.db2.gz ODKTYNABUQJGOU-UHFFFAOYSA-N 2 2 326.444 3.213 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166535073 454912691 /nfs/dbraw/zinc/91/26/91/454912691.db2.gz KATMDMBKLGVSMI-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166535073 454912692 /nfs/dbraw/zinc/91/26/92/454912692.db2.gz KATMDMBKLGVSMI-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccsc1 ZINC000178002708 454926366 /nfs/dbraw/zinc/92/63/66/454926366.db2.gz YOJPIELEQRFRGK-INIZCTEOSA-N 2 2 346.496 3.310 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151115469 454940398 /nfs/dbraw/zinc/94/03/98/454940398.db2.gz PORRQHZAHPSWBK-OAHLLOKOSA-N 2 2 338.224 3.452 20 0 EGADLP COC(=O)c1coc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114480726 454956692 /nfs/dbraw/zinc/95/66/92/454956692.db2.gz RLQFLUIILDOKIX-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP COC(=O)c1coc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114480726 454956694 /nfs/dbraw/zinc/95/66/94/454956694.db2.gz RLQFLUIILDOKIX-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000170711227 454961571 /nfs/dbraw/zinc/96/15/71/454961571.db2.gz YVGWONKXXQLDHO-UHFFFAOYSA-N 2 2 341.459 3.157 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000178656582 454966531 /nfs/dbraw/zinc/96/65/31/454966531.db2.gz AWEYOTHNEKGBGO-QGZVFWFLSA-N 2 2 338.879 3.254 20 0 EGADLP CCCC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000179329821 455034096 /nfs/dbraw/zinc/03/40/96/455034096.db2.gz LKHPEINYYKXLTJ-IBGZPJMESA-N 2 2 332.488 3.220 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1cccs1 ZINC000171690353 455086659 /nfs/dbraw/zinc/08/66/59/455086659.db2.gz DXLRJTOPXQPLDN-ZIAGYGMSSA-N 2 2 347.488 3.011 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000152244945 455091716 /nfs/dbraw/zinc/09/17/16/455091716.db2.gz BONCZHDMQQHNDL-OAHLLOKOSA-N 2 2 335.407 3.494 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152371742 455108791 /nfs/dbraw/zinc/10/87/91/455108791.db2.gz YRCACFPEQHOPEK-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152371742 455108793 /nfs/dbraw/zinc/10/87/93/455108793.db2.gz YRCACFPEQHOPEK-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152371742 455108795 /nfs/dbraw/zinc/10/87/95/455108795.db2.gz YRCACFPEQHOPEK-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152371742 455108799 /nfs/dbraw/zinc/10/87/99/455108799.db2.gz YRCACFPEQHOPEK-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1c(F)cccc1F ZINC000172092635 455120106 /nfs/dbraw/zinc/12/01/06/455120106.db2.gz ZGORMBSOVAGPFT-WFASDCNBSA-N 2 2 341.446 3.248 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000157306843 455182424 /nfs/dbraw/zinc/18/24/24/455182424.db2.gz XEUIMGOLNBOXNN-HSALFYBXSA-N 2 2 347.547 3.118 20 0 EGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000157306843 455182428 /nfs/dbraw/zinc/18/24/28/455182428.db2.gz XEUIMGOLNBOXNN-HSALFYBXSA-N 2 2 347.547 3.118 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000264193333 455194685 /nfs/dbraw/zinc/19/46/85/455194685.db2.gz NZXHPCJNUNPKGL-GOSISDBHSA-N 2 2 338.455 3.373 20 0 EGADLP Cc1cccn2c(C[NH2+]CC3CCN(CC(F)(F)F)CC3)c[nH+]c12 ZINC000189459164 455199883 /nfs/dbraw/zinc/19/98/83/455199883.db2.gz FZRHEYCZUYLEHF-UHFFFAOYSA-N 2 2 340.393 3.007 20 0 EGADLP CCN(C(=O)C[N@H+](C)C1CC[NH+](CC)CC1)[C@H](C)c1ccc(F)cc1 ZINC000157497619 455201250 /nfs/dbraw/zinc/20/12/50/455201250.db2.gz PIMYBZPEYQGCGZ-MRXNPFEDSA-N 2 2 349.494 3.151 20 0 EGADLP CCN(C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1)[C@H](C)c1ccc(F)cc1 ZINC000157497619 455201256 /nfs/dbraw/zinc/20/12/56/455201256.db2.gz PIMYBZPEYQGCGZ-MRXNPFEDSA-N 2 2 349.494 3.151 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000245423050 455294224 /nfs/dbraw/zinc/29/42/24/455294224.db2.gz JFPGYIICFHZJIN-BBWFWOEESA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000245423050 455294227 /nfs/dbraw/zinc/29/42/27/455294227.db2.gz JFPGYIICFHZJIN-BBWFWOEESA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000245423050 455294230 /nfs/dbraw/zinc/29/42/30/455294230.db2.gz JFPGYIICFHZJIN-BBWFWOEESA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000245423050 455294231 /nfs/dbraw/zinc/29/42/31/455294231.db2.gz JFPGYIICFHZJIN-BBWFWOEESA-N 2 2 349.494 3.055 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615000 455316883 /nfs/dbraw/zinc/31/68/83/455316883.db2.gz DSLGPIWUZOJKDM-CQSZACIVSA-N 2 2 337.895 3.438 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1C ZINC000158615577 455317047 /nfs/dbraw/zinc/31/70/47/455317047.db2.gz VAAMJRIHPWJAOJ-HZPDHXFCSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1C ZINC000158615577 455317051 /nfs/dbraw/zinc/31/70/51/455317051.db2.gz VAAMJRIHPWJAOJ-HZPDHXFCSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1C ZINC000158615577 455317056 /nfs/dbraw/zinc/31/70/56/455317056.db2.gz VAAMJRIHPWJAOJ-HZPDHXFCSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1C ZINC000158615577 455317060 /nfs/dbraw/zinc/31/70/60/455317060.db2.gz VAAMJRIHPWJAOJ-HZPDHXFCSA-N 2 2 335.517 3.028 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000158673078 455320898 /nfs/dbraw/zinc/32/08/98/455320898.db2.gz ILTVSAPKTWCXGL-VQIMIIECSA-N 2 2 343.515 3.339 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000158673078 455320902 /nfs/dbraw/zinc/32/09/02/455320902.db2.gz ILTVSAPKTWCXGL-VQIMIIECSA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000158673078 455320906 /nfs/dbraw/zinc/32/09/06/455320906.db2.gz ILTVSAPKTWCXGL-VQIMIIECSA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000158673078 455320912 /nfs/dbraw/zinc/32/09/12/455320912.db2.gz ILTVSAPKTWCXGL-VQIMIIECSA-N 2 2 343.515 3.339 20 0 EGADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000265463536 455329747 /nfs/dbraw/zinc/32/97/47/455329747.db2.gz GIGJLDWSMPESEW-ZDUSSCGKSA-N 2 2 342.443 3.008 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000245585078 455334940 /nfs/dbraw/zinc/33/49/40/455334940.db2.gz JAGOGSXKYWLULK-MGPUTAFESA-N 2 2 343.446 3.230 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000245585078 455334945 /nfs/dbraw/zinc/33/49/45/455334945.db2.gz JAGOGSXKYWLULK-MGPUTAFESA-N 2 2 343.446 3.230 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000183988710 455345484 /nfs/dbraw/zinc/34/54/84/455345484.db2.gz HKBMIBAJDCQWDN-HOJAQTOUSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000183988710 455345490 /nfs/dbraw/zinc/34/54/90/455345490.db2.gz HKBMIBAJDCQWDN-HOJAQTOUSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245706904 455360386 /nfs/dbraw/zinc/36/03/86/455360386.db2.gz SDUXYFPGLNYEDH-MDZRGWNJSA-N 2 2 336.443 3.108 20 0 EGADLP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245706904 455360389 /nfs/dbraw/zinc/36/03/89/455360389.db2.gz SDUXYFPGLNYEDH-MDZRGWNJSA-N 2 2 336.443 3.108 20 0 EGADLP CC[N@@H+](Cc1cccc(OC)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485739 455396500 /nfs/dbraw/zinc/39/65/00/455396500.db2.gz HLSGIYWYHHGOHS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@H+](Cc1cccc(OC)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485739 455396502 /nfs/dbraw/zinc/39/65/02/455396502.db2.gz HLSGIYWYHHGOHS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cccc(OC)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485739 455396504 /nfs/dbraw/zinc/39/65/04/455396504.db2.gz HLSGIYWYHHGOHS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cccc(OC)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485739 455396505 /nfs/dbraw/zinc/39/65/05/455396505.db2.gz HLSGIYWYHHGOHS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000182072536 455428625 /nfs/dbraw/zinc/42/86/25/455428625.db2.gz RBYSAWJLYRQKSG-NYVOZVTQSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000182072536 455428628 /nfs/dbraw/zinc/42/86/28/455428628.db2.gz RBYSAWJLYRQKSG-NYVOZVTQSA-N 2 2 338.495 3.090 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246298207 455466510 /nfs/dbraw/zinc/46/65/10/455466510.db2.gz CWHSHWWLNKMSNS-QUCCMNQESA-N 2 2 345.531 3.479 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246298207 455466513 /nfs/dbraw/zinc/46/65/13/455466513.db2.gz CWHSHWWLNKMSNS-QUCCMNQESA-N 2 2 345.531 3.479 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000266902730 455471636 /nfs/dbraw/zinc/47/16/36/455471636.db2.gz HBGNJDDFTBEXES-AWEZNQCLSA-N 2 2 346.862 3.498 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000266902730 455471640 /nfs/dbraw/zinc/47/16/40/455471640.db2.gz HBGNJDDFTBEXES-AWEZNQCLSA-N 2 2 346.862 3.498 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843815 455529316 /nfs/dbraw/zinc/52/93/16/455529316.db2.gz RZJUDCPKLFVZJN-HHXXYDBFSA-N 2 2 347.890 3.249 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843815 455529318 /nfs/dbraw/zinc/52/93/18/455529318.db2.gz RZJUDCPKLFVZJN-HHXXYDBFSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843815 455529320 /nfs/dbraw/zinc/52/93/20/455529320.db2.gz RZJUDCPKLFVZJN-HHXXYDBFSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843815 455529323 /nfs/dbraw/zinc/52/93/23/455529323.db2.gz RZJUDCPKLFVZJN-HHXXYDBFSA-N 2 2 347.890 3.249 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000277580342 455604952 /nfs/dbraw/zinc/60/49/52/455604952.db2.gz CESLHMRVYLSWKC-PXNSSMCTSA-N 2 2 343.471 3.352 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCO[C@H]1CCCCO1 ZINC000277580342 455604958 /nfs/dbraw/zinc/60/49/58/455604958.db2.gz CESLHMRVYLSWKC-PXNSSMCTSA-N 2 2 343.471 3.352 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cn21 ZINC000185723258 455606538 /nfs/dbraw/zinc/60/65/38/455606538.db2.gz UERFKYDABJMOJO-SJORKVTESA-N 2 2 326.488 3.385 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cn21 ZINC000185723258 455606546 /nfs/dbraw/zinc/60/65/46/455606546.db2.gz UERFKYDABJMOJO-SJORKVTESA-N 2 2 326.488 3.385 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2sccc2Br)CCCO1 ZINC000277631743 455619032 /nfs/dbraw/zinc/61/90/32/455619032.db2.gz CGQZLCYOCIIZOO-LBPRGKRZSA-N 2 2 347.322 3.101 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2sccc2Br)CCCO1 ZINC000277631743 455619037 /nfs/dbraw/zinc/61/90/37/455619037.db2.gz CGQZLCYOCIIZOO-LBPRGKRZSA-N 2 2 347.322 3.101 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000247541505 455620584 /nfs/dbraw/zinc/62/05/84/455620584.db2.gz PDSYFCBBGZERLZ-QZTJIDSGSA-N 2 2 337.552 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000247541505 455620591 /nfs/dbraw/zinc/62/05/91/455620591.db2.gz PDSYFCBBGZERLZ-QZTJIDSGSA-N 2 2 337.552 3.220 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247567914 455626364 /nfs/dbraw/zinc/62/63/64/455626364.db2.gz RLLFWESXGFSZDI-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247567914 455626369 /nfs/dbraw/zinc/62/63/69/455626369.db2.gz RLLFWESXGFSZDI-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247567914 455626373 /nfs/dbraw/zinc/62/63/73/455626373.db2.gz RLLFWESXGFSZDI-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247567914 455626379 /nfs/dbraw/zinc/62/63/79/455626379.db2.gz RLLFWESXGFSZDI-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)no1 ZINC000284338708 455670161 /nfs/dbraw/zinc/67/01/61/455670161.db2.gz XRFXIDLWYMVRCB-HNNXBMFYSA-N 2 2 329.444 3.307 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000248052151 455676339 /nfs/dbraw/zinc/67/63/39/455676339.db2.gz WQANDXYRFZDIKI-IXDOHACOSA-N 2 2 327.472 3.385 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000248052151 455676343 /nfs/dbraw/zinc/67/63/43/455676343.db2.gz WQANDXYRFZDIKI-IXDOHACOSA-N 2 2 327.472 3.385 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248179720 455695227 /nfs/dbraw/zinc/69/52/27/455695227.db2.gz WESYGGOQZNJSMR-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248179720 455695228 /nfs/dbraw/zinc/69/52/28/455695228.db2.gz WESYGGOQZNJSMR-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248179720 455695229 /nfs/dbraw/zinc/69/52/29/455695229.db2.gz WESYGGOQZNJSMR-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248179720 455695230 /nfs/dbraw/zinc/69/52/30/455695230.db2.gz WESYGGOQZNJSMR-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775874 455712623 /nfs/dbraw/zinc/71/26/23/455712623.db2.gz VTUWREHBNUHQLY-PXNSSMCTSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775874 455712627 /nfs/dbraw/zinc/71/26/27/455712627.db2.gz VTUWREHBNUHQLY-PXNSSMCTSA-N 3 2 327.516 3.256 20 0 EGADLP CO[C@@]1(C)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667650 455723100 /nfs/dbraw/zinc/72/31/00/455723100.db2.gz GRQUKFYFIDZKTM-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@@]1(C)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667650 455723103 /nfs/dbraw/zinc/72/31/03/455723103.db2.gz GRQUKFYFIDZKTM-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@@]1(C)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667650 455723112 /nfs/dbraw/zinc/72/31/12/455723112.db2.gz GRQUKFYFIDZKTM-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@@]1(C)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667650 455723114 /nfs/dbraw/zinc/72/31/14/455723114.db2.gz GRQUKFYFIDZKTM-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@]1(C)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667640 455723538 /nfs/dbraw/zinc/72/35/38/455723538.db2.gz GRQUKFYFIDZKTM-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@]1(C)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667640 455723546 /nfs/dbraw/zinc/72/35/46/455723546.db2.gz GRQUKFYFIDZKTM-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@]1(C)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667640 455723551 /nfs/dbraw/zinc/72/35/51/455723551.db2.gz GRQUKFYFIDZKTM-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@]1(C)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667640 455723557 /nfs/dbraw/zinc/72/35/57/455723557.db2.gz GRQUKFYFIDZKTM-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000268919426 455730757 /nfs/dbraw/zinc/73/07/57/455730757.db2.gz JRHCVBKQMKJFQN-BEFAXECRSA-N 3 2 344.528 3.269 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269020436 455765424 /nfs/dbraw/zinc/76/54/24/455765424.db2.gz PMBLWUNTZGLHHT-CHWSQXEVSA-N 2 2 335.883 3.220 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000269046109 455774391 /nfs/dbraw/zinc/77/43/91/455774391.db2.gz HMWQSQZSDZNSDL-JCXROGDPSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000269046109 455774394 /nfs/dbraw/zinc/77/43/94/455774394.db2.gz HMWQSQZSDZNSDL-JCXROGDPSA-N 2 2 336.479 3.287 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000271830798 455778764 /nfs/dbraw/zinc/77/87/64/455778764.db2.gz QYMBQNSEWPVTBP-IRXDYDNUSA-N 2 2 332.488 3.186 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1 ZINC000250109512 455784426 /nfs/dbraw/zinc/78/44/26/455784426.db2.gz SQNAXOLVWGPVDM-OTWHNJEPSA-N 2 2 334.891 3.462 20 0 EGADLP Fc1cncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285655173 455890280 /nfs/dbraw/zinc/89/02/80/455890280.db2.gz SQNHCVDKKXUIAO-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285655173 455890283 /nfs/dbraw/zinc/89/02/83/455890283.db2.gz SQNHCVDKKXUIAO-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285655173 455890286 /nfs/dbraw/zinc/89/02/86/455890286.db2.gz SQNHCVDKKXUIAO-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285655173 455890289 /nfs/dbraw/zinc/89/02/89/455890289.db2.gz SQNHCVDKKXUIAO-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724029 455905851 /nfs/dbraw/zinc/90/58/51/455905851.db2.gz QINAAAFRTAZDIN-PKOBYXMFSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724029 455905854 /nfs/dbraw/zinc/90/58/54/455905854.db2.gz QINAAAFRTAZDIN-PKOBYXMFSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@@H+]1C ZINC000285745368 455907781 /nfs/dbraw/zinc/90/77/81/455907781.db2.gz RQABRKSTHDHZFZ-KOLCDFICSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@H+]1C ZINC000285745368 455907784 /nfs/dbraw/zinc/90/77/84/455907784.db2.gz RQABRKSTHDHZFZ-KOLCDFICSA-N 2 2 333.220 3.300 20 0 EGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C)cc1 ZINC000285743008 455908169 /nfs/dbraw/zinc/90/81/69/455908169.db2.gz RNLKOZIWBIMPGO-RAFMOHDBSA-N 2 2 343.515 3.119 20 0 EGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C)cc1 ZINC000285743008 455908172 /nfs/dbraw/zinc/90/81/72/455908172.db2.gz RNLKOZIWBIMPGO-RAFMOHDBSA-N 2 2 343.515 3.119 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663039 455923591 /nfs/dbraw/zinc/92/35/91/455923591.db2.gz IJUIUMJHYYZRJI-NQIIRXRSSA-N 2 2 348.450 3.497 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663039 455923595 /nfs/dbraw/zinc/92/35/95/455923595.db2.gz IJUIUMJHYYZRJI-NQIIRXRSSA-N 2 2 348.450 3.497 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745240 455938954 /nfs/dbraw/zinc/93/89/54/455938954.db2.gz PQFJCGRRRIMIBW-IIBYNOLFSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745240 455938958 /nfs/dbraw/zinc/93/89/58/455938958.db2.gz PQFJCGRRRIMIBW-IIBYNOLFSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000261755677 455942462 /nfs/dbraw/zinc/94/24/62/455942462.db2.gz QPXBDVPKAMKHGO-LEWJYISDSA-N 2 2 343.515 3.095 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000261755677 455942469 /nfs/dbraw/zinc/94/24/69/455942469.db2.gz QPXBDVPKAMKHGO-LEWJYISDSA-N 2 2 343.515 3.095 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1-n1ccnn1 ZINC000285953898 455948353 /nfs/dbraw/zinc/94/83/53/455948353.db2.gz GHPWWFLFSVKTQT-INIZCTEOSA-N 2 2 336.443 3.205 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338137 455951224 /nfs/dbraw/zinc/95/12/24/455951224.db2.gz SCLSQUHOKBBUDA-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338137 455951226 /nfs/dbraw/zinc/95/12/26/455951226.db2.gz SCLSQUHOKBBUDA-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338137 455951233 /nfs/dbraw/zinc/95/12/33/455951233.db2.gz SCLSQUHOKBBUDA-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338137 455951236 /nfs/dbraw/zinc/95/12/36/455951236.db2.gz SCLSQUHOKBBUDA-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187957313 455972038 /nfs/dbraw/zinc/97/20/38/455972038.db2.gz XNVGICRVMWTBTF-GUYCJALGSA-N 2 2 327.407 3.069 20 0 EGADLP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262039726 455989076 /nfs/dbraw/zinc/98/90/76/455989076.db2.gz PAMKJYNYJWLEEO-YOEHRIQHSA-N 2 2 338.480 3.380 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262039726 455989077 /nfs/dbraw/zinc/98/90/77/455989077.db2.gz PAMKJYNYJWLEEO-YOEHRIQHSA-N 2 2 338.480 3.380 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](COc4ccccc4)C3)cn2)c[nH+]1 ZINC000272546563 455989809 /nfs/dbraw/zinc/98/98/09/455989809.db2.gz KEEBEDOQRFAEIA-SFHVURJKSA-N 2 2 334.423 3.168 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](COc4ccccc4)C3)cn2)c[nH+]1 ZINC000272546563 455989814 /nfs/dbraw/zinc/98/98/14/455989814.db2.gz KEEBEDOQRFAEIA-SFHVURJKSA-N 2 2 334.423 3.168 20 0 EGADLP CCC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)C1CC[NH2+]CC1 ZINC000262067660 455991918 /nfs/dbraw/zinc/99/19/18/455991918.db2.gz BMMJWQCHQBZQBO-UHFFFAOYSA-N 2 2 334.414 3.115 20 0 EGADLP CCC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)C1CC[NH2+]CC1 ZINC000262067660 455991924 /nfs/dbraw/zinc/99/19/24/455991924.db2.gz BMMJWQCHQBZQBO-UHFFFAOYSA-N 2 2 334.414 3.115 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286181244 455995029 /nfs/dbraw/zinc/99/50/29/455995029.db2.gz QWJNWVUCXPXUKH-ZQIUZPCESA-N 2 2 332.488 3.158 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286181244 455995031 /nfs/dbraw/zinc/99/50/31/455995031.db2.gz QWJNWVUCXPXUKH-ZQIUZPCESA-N 2 2 332.488 3.158 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000286262928 456011317 /nfs/dbraw/zinc/01/13/17/456011317.db2.gz GVWKKUCHFZXZJT-ZFWWWQNUSA-N 2 2 331.847 3.188 20 0 EGADLP C[C@@H](CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[NH2+]C1 ZINC000262656651 456050716 /nfs/dbraw/zinc/05/07/16/456050716.db2.gz URJIWEMJYNXVTD-BQFCYCMXSA-N 2 2 340.471 3.075 20 0 EGADLP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2[nH+]ccn21 ZINC000296887164 456061047 /nfs/dbraw/zinc/06/10/47/456061047.db2.gz OJXIWMKJCVHLPN-BEFAXECRSA-N 2 2 340.471 3.205 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)CC3 ZINC000272905637 456107477 /nfs/dbraw/zinc/10/74/77/456107477.db2.gz KWGKBDMPPPRWME-LKBUQDJMSA-N 2 2 339.483 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)CC3 ZINC000272905637 456107486 /nfs/dbraw/zinc/10/74/86/456107486.db2.gz KWGKBDMPPPRWME-LKBUQDJMSA-N 2 2 339.483 3.106 20 0 EGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)c1c[nH]c2ncccc12 ZINC000271061959 456116485 /nfs/dbraw/zinc/11/64/85/456116485.db2.gz KVQAFKYHZITZGC-CJNGLKHVSA-N 2 2 330.476 3.090 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000289884560 456168064 /nfs/dbraw/zinc/16/80/64/456168064.db2.gz WTQXOHDBHCVPAA-OAHLLOKOSA-N 2 2 347.894 3.145 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000289884560 456168070 /nfs/dbraw/zinc/16/80/70/456168070.db2.gz WTQXOHDBHCVPAA-OAHLLOKOSA-N 2 2 347.894 3.145 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000236686921 456169250 /nfs/dbraw/zinc/16/92/50/456169250.db2.gz JZZYSRRSYTXPLX-FQEVSTJZSA-N 2 2 339.483 3.268 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)n1 ZINC000236686921 456169254 /nfs/dbraw/zinc/16/92/54/456169254.db2.gz JZZYSRRSYTXPLX-FQEVSTJZSA-N 2 2 339.483 3.268 20 0 EGADLP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000271221428 456180890 /nfs/dbraw/zinc/18/08/90/456180890.db2.gz ZLBGWHRVCXCIRJ-MRXNPFEDSA-N 2 2 344.430 3.240 20 0 EGADLP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000271221428 456180893 /nfs/dbraw/zinc/18/08/93/456180893.db2.gz ZLBGWHRVCXCIRJ-MRXNPFEDSA-N 2 2 344.430 3.240 20 0 EGADLP Nc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)[nH+]c2ccccc12 ZINC000301749511 456205856 /nfs/dbraw/zinc/20/58/56/456205856.db2.gz ACPMOOLUHARUQN-MRXNPFEDSA-N 2 2 337.427 3.444 20 0 EGADLP C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)C[NH+]1CCCCC1 ZINC000301839604 456230286 /nfs/dbraw/zinc/23/02/86/456230286.db2.gz OHZZESWEHQSEAD-AWEZNQCLSA-N 2 2 330.480 3.115 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC1CC[NH+](C2CCCC2)CC1 ZINC000301875146 456239271 /nfs/dbraw/zinc/23/92/71/456239271.db2.gz IGOFOARSXKVJFL-UHFFFAOYSA-N 2 2 342.491 3.400 20 0 EGADLP COc1cncc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000290111943 456243101 /nfs/dbraw/zinc/24/31/01/456243101.db2.gz YJQVQEDUMQSREL-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1cncc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000290111943 456243103 /nfs/dbraw/zinc/24/31/03/456243103.db2.gz YJQVQEDUMQSREL-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP Nc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301895576 456244437 /nfs/dbraw/zinc/24/44/37/456244437.db2.gz UCSMABIOWXCWON-QGZVFWFLSA-N 2 2 347.466 3.189 20 0 EGADLP Nc1nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301895576 456244444 /nfs/dbraw/zinc/24/44/44/456244444.db2.gz UCSMABIOWXCWON-QGZVFWFLSA-N 2 2 347.466 3.189 20 0 EGADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(N)c2ccccc2[nH+]1 ZINC000301914638 456249193 /nfs/dbraw/zinc/24/91/93/456249193.db2.gz UZBHXMJXONHCQY-QGZVFWFLSA-N 2 2 347.466 3.170 20 0 EGADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(N)c2ccccc2[nH+]1 ZINC000301914638 456249196 /nfs/dbraw/zinc/24/91/96/456249196.db2.gz UZBHXMJXONHCQY-QGZVFWFLSA-N 2 2 347.466 3.170 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000333736257 456255815 /nfs/dbraw/zinc/25/58/15/456255815.db2.gz WYCIZKZNRLABDI-DNVCBOLYSA-N 2 2 326.444 3.182 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000333736257 456255818 /nfs/dbraw/zinc/25/58/18/456255818.db2.gz WYCIZKZNRLABDI-DNVCBOLYSA-N 2 2 326.444 3.182 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000333736258 456255833 /nfs/dbraw/zinc/25/58/33/456255833.db2.gz WYCIZKZNRLABDI-HNAYVOBHSA-N 2 2 326.444 3.182 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000333736258 456255839 /nfs/dbraw/zinc/25/58/39/456255839.db2.gz WYCIZKZNRLABDI-HNAYVOBHSA-N 2 2 326.444 3.182 20 0 EGADLP COCc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000297745277 456285757 /nfs/dbraw/zinc/28/57/57/456285757.db2.gz TZOUHADCFUXJRG-IGOJGBNBSA-N 2 2 343.471 3.067 20 0 EGADLP COCc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000297745277 456285761 /nfs/dbraw/zinc/28/57/61/456285761.db2.gz TZOUHADCFUXJRG-IGOJGBNBSA-N 2 2 343.471 3.067 20 0 EGADLP CCCn1c(C[N@H+](C)CCCn2cc[nH+]c2C)nc2ccccc21 ZINC000290345306 456301278 /nfs/dbraw/zinc/30/12/78/456301278.db2.gz FTPXZWVFBAQWEE-UHFFFAOYSA-N 2 2 325.460 3.473 20 0 EGADLP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000347707569 456316610 /nfs/dbraw/zinc/31/66/10/456316610.db2.gz QIXGYISEHOKLMV-UHFFFAOYSA-N 3 2 338.499 3.233 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000352801699 456322414 /nfs/dbraw/zinc/32/24/14/456322414.db2.gz KFLQTALPEVMCFQ-DVECYGJZSA-N 2 2 348.556 3.368 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000352801699 456322417 /nfs/dbraw/zinc/32/24/17/456322417.db2.gz KFLQTALPEVMCFQ-DVECYGJZSA-N 2 2 348.556 3.368 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000297965673 456334021 /nfs/dbraw/zinc/33/40/21/456334021.db2.gz WTADIENUHLQSNM-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000297965673 456334023 /nfs/dbraw/zinc/33/40/23/456334023.db2.gz WTADIENUHLQSNM-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000297965673 456334027 /nfs/dbraw/zinc/33/40/27/456334027.db2.gz WTADIENUHLQSNM-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000297965673 456334031 /nfs/dbraw/zinc/33/40/31/456334031.db2.gz WTADIENUHLQSNM-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000352823565 456339293 /nfs/dbraw/zinc/33/92/93/456339293.db2.gz RRRWLTYZTKAIBM-UHFFFAOYSA-N 3 2 344.528 3.090 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000297997071 456339708 /nfs/dbraw/zinc/33/97/08/456339708.db2.gz ZGHVXJJRXCRZSX-QUCCMNQESA-N 2 2 327.472 3.331 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000297997071 456339713 /nfs/dbraw/zinc/33/97/13/456339713.db2.gz ZGHVXJJRXCRZSX-QUCCMNQESA-N 2 2 327.472 3.331 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258013 456346676 /nfs/dbraw/zinc/34/66/76/456346676.db2.gz ZDGJMWNKHOELPW-UFYCRDLUSA-N 3 2 338.499 3.494 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258013 456346683 /nfs/dbraw/zinc/34/66/83/456346683.db2.gz ZDGJMWNKHOELPW-UFYCRDLUSA-N 3 2 338.499 3.494 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)c(C)o1 ZINC000340278046 456357953 /nfs/dbraw/zinc/35/79/53/456357953.db2.gz XFWLRQRQHLZTCK-KXBFYZLASA-N 2 2 327.472 3.477 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)c(C)o1 ZINC000340278046 456357961 /nfs/dbraw/zinc/35/79/61/456357961.db2.gz XFWLRQRQHLZTCK-KXBFYZLASA-N 2 2 327.472 3.477 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290553643 456363197 /nfs/dbraw/zinc/36/31/97/456363197.db2.gz RXYNRHHTZKHESL-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP COc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1OC(F)F ZINC000290575870 456369854 /nfs/dbraw/zinc/36/98/54/456369854.db2.gz UCKTZQAMMYNTGY-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1OC(F)F ZINC000290575870 456369861 /nfs/dbraw/zinc/36/98/61/456369861.db2.gz UCKTZQAMMYNTGY-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP COc1cccc2c(NC[C@H](O)C[NH+]3CCC(C)CC3)c(C)c[nH+]c12 ZINC000302670910 456372277 /nfs/dbraw/zinc/37/22/77/456372277.db2.gz RMBAASIRXAXLDV-INIZCTEOSA-N 2 2 343.471 3.057 20 0 EGADLP Cn1c[nH+]cc1CCSCCCCSCCc1c[nH+]cn1C ZINC000298174669 456381188 /nfs/dbraw/zinc/38/11/88/456381188.db2.gz GAHYRIIYKOZKAQ-UHFFFAOYSA-N 2 2 338.546 3.185 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)s1 ZINC000347851888 456405811 /nfs/dbraw/zinc/40/58/11/456405811.db2.gz IYAJVKKDCRLPET-KRWDZBQOSA-N 2 2 345.512 3.243 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)s1 ZINC000347851888 456405813 /nfs/dbraw/zinc/40/58/13/456405813.db2.gz IYAJVKKDCRLPET-KRWDZBQOSA-N 2 2 345.512 3.243 20 0 EGADLP CC(C)c1nc(C2CC[NH+](Cc3ncc(C[NH+](C)C)s3)CC2)no1 ZINC000347851409 456406034 /nfs/dbraw/zinc/40/60/34/456406034.db2.gz VOEGHHRXELDJFE-UHFFFAOYSA-N 2 2 349.504 3.091 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935505 456421630 /nfs/dbraw/zinc/42/16/30/456421630.db2.gz ZJCQPXIIAYTWJJ-KBXCAEBGSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935505 456421637 /nfs/dbraw/zinc/42/16/37/456421637.db2.gz ZJCQPXIIAYTWJJ-KBXCAEBGSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935505 456421640 /nfs/dbraw/zinc/42/16/40/456421640.db2.gz ZJCQPXIIAYTWJJ-KBXCAEBGSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935505 456421647 /nfs/dbraw/zinc/42/16/47/456421647.db2.gz ZJCQPXIIAYTWJJ-KBXCAEBGSA-N 2 2 344.890 3.267 20 0 EGADLP c1nc(NC2CC[NH+](CC3CCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000302905821 456434895 /nfs/dbraw/zinc/43/48/95/456434895.db2.gz SVIURGSWIJYKNC-UHFFFAOYSA-N 2 2 329.492 3.143 20 0 EGADLP c1nc(N2CCCC2)cc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC000302905821 456434900 /nfs/dbraw/zinc/43/49/00/456434900.db2.gz SVIURGSWIJYKNC-UHFFFAOYSA-N 2 2 329.492 3.143 20 0 EGADLP COCCCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000337670957 456471857 /nfs/dbraw/zinc/47/18/57/456471857.db2.gz PQIOPSWUWFDEAK-LEWJYISDSA-N 2 2 340.467 3.029 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000337670957 456471864 /nfs/dbraw/zinc/47/18/64/456471864.db2.gz PQIOPSWUWFDEAK-LEWJYISDSA-N 2 2 340.467 3.029 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000340493677 456492256 /nfs/dbraw/zinc/49/22/56/456492256.db2.gz ALVUCNUABOQKOO-JTDSTZFVSA-N 2 2 325.456 3.261 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000340493677 456492266 /nfs/dbraw/zinc/49/22/66/456492266.db2.gz ALVUCNUABOQKOO-JTDSTZFVSA-N 2 2 325.456 3.261 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348127475 456502215 /nfs/dbraw/zinc/50/22/15/456502215.db2.gz SFPUZHFEQRFTRX-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348127475 456502225 /nfs/dbraw/zinc/50/22/25/456502225.db2.gz SFPUZHFEQRFTRX-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000340535423 456516991 /nfs/dbraw/zinc/51/69/91/456516991.db2.gz YSWYSGLLXQJTFS-CCKFTAQKSA-N 2 2 333.545 3.084 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000340535423 456516998 /nfs/dbraw/zinc/51/69/98/456516998.db2.gz YSWYSGLLXQJTFS-CCKFTAQKSA-N 2 2 333.545 3.084 20 0 EGADLP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000343315386 456525589 /nfs/dbraw/zinc/52/55/89/456525589.db2.gz PRBDGKINQOTNRE-ROUUACIJSA-N 2 2 331.847 3.031 20 0 EGADLP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000343315386 456525594 /nfs/dbraw/zinc/52/55/94/456525594.db2.gz PRBDGKINQOTNRE-ROUUACIJSA-N 2 2 331.847 3.031 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000276653071 456542597 /nfs/dbraw/zinc/54/25/97/456542597.db2.gz WWIJVMUFCXAAAD-LXXRFIIISA-N 2 2 344.846 3.030 20 0 EGADLP FC(F)Oc1ccccc1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000276654181 456542928 /nfs/dbraw/zinc/54/29/28/456542928.db2.gz MVPQSXSAIWIYLZ-UHFFFAOYSA-N 2 2 347.409 3.484 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@H]3c3ccnn3C(C)C)n2c1 ZINC000343404101 456598294 /nfs/dbraw/zinc/59/82/94/456598294.db2.gz QAGZHIKTGDAWGH-QFBILLFUSA-N 2 2 339.443 3.040 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@H]3c3ccnn3C(C)C)n2c1 ZINC000343404102 456598435 /nfs/dbraw/zinc/59/84/35/456598435.db2.gz QAGZHIKTGDAWGH-VQIMIIECSA-N 2 2 339.443 3.040 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2cnn(C)c2)c1 ZINC000282734599 456608323 /nfs/dbraw/zinc/60/83/23/456608323.db2.gz DXOCZMVVUIVEMS-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2cnn(C)c2)c1 ZINC000282734599 456608329 /nfs/dbraw/zinc/60/83/29/456608329.db2.gz DXOCZMVVUIVEMS-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282753133 456615123 /nfs/dbraw/zinc/61/51/23/456615123.db2.gz NVDJTINZOHOTEC-SJLPKXTDSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282753133 456615130 /nfs/dbraw/zinc/61/51/30/456615130.db2.gz NVDJTINZOHOTEC-SJLPKXTDSA-N 2 2 341.503 3.033 20 0 EGADLP FCCC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000337997231 456644524 /nfs/dbraw/zinc/64/45/24/456644524.db2.gz LQRKLXRBVYOIBE-UYAOXDASSA-N 3 2 348.510 3.102 20 0 EGADLP c1sc(-c2ccccn2)nc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000299352700 456666091 /nfs/dbraw/zinc/66/60/91/456666091.db2.gz SAVYKMCVESGJAA-UHFFFAOYSA-N 2 2 328.485 3.312 20 0 EGADLP CCC[NH+]1CCC(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277151981 456699131 /nfs/dbraw/zinc/69/91/31/456699131.db2.gz QJLQLAVTZKRPSD-FQEVSTJZSA-N 2 2 347.572 3.068 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000277208272 456724684 /nfs/dbraw/zinc/72/46/84/456724684.db2.gz NBKMPNCUPFBSBQ-HXUWFJFHSA-N 2 2 343.515 3.229 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000277208272 456724688 /nfs/dbraw/zinc/72/46/88/456724688.db2.gz NBKMPNCUPFBSBQ-HXUWFJFHSA-N 2 2 343.515 3.229 20 0 EGADLP C[C@H](C[N@H+](CCO)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000283160176 456725676 /nfs/dbraw/zinc/72/56/76/456725676.db2.gz CYARHYFHLODUQP-CQSZACIVSA-N 2 2 344.421 3.197 20 0 EGADLP C[C@H](C[N@@H+](CCO)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000283160176 456725679 /nfs/dbraw/zinc/72/56/79/456725679.db2.gz CYARHYFHLODUQP-CQSZACIVSA-N 2 2 344.421 3.197 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000353513097 456726541 /nfs/dbraw/zinc/72/65/41/456726541.db2.gz FAFGXEYYHXMEQJ-CQSZACIVSA-N 2 2 348.406 3.054 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000299602454 456741468 /nfs/dbraw/zinc/74/14/68/456741468.db2.gz VXFSSRPUXSHKIM-FXAWDEMLSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000299602454 456741474 /nfs/dbraw/zinc/74/14/74/456741474.db2.gz VXFSSRPUXSHKIM-FXAWDEMLSA-N 2 2 334.479 3.303 20 0 EGADLP C[N@H+](C[C@H]1CCCC(F)(F)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000338305065 456761472 /nfs/dbraw/zinc/76/14/72/456761472.db2.gz KHZFPJXHHDRTJE-INIZCTEOSA-N 2 2 340.462 3.105 20 0 EGADLP C[N@@H+](C[C@H]1CCCC(F)(F)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000338305065 456761481 /nfs/dbraw/zinc/76/14/81/456761481.db2.gz KHZFPJXHHDRTJE-INIZCTEOSA-N 2 2 340.462 3.105 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000338323477 456771912 /nfs/dbraw/zinc/77/19/12/456771912.db2.gz ZUPZHLTXNVSDLT-IBGZPJMESA-N 2 2 331.504 3.003 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000338323477 456771916 /nfs/dbraw/zinc/77/19/16/456771916.db2.gz ZUPZHLTXNVSDLT-IBGZPJMESA-N 2 2 331.504 3.003 20 0 EGADLP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CS1 ZINC000277390674 456806142 /nfs/dbraw/zinc/80/61/42/456806142.db2.gz YEJGLDLSKGHERX-RTBURBONSA-N 2 2 334.529 3.139 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622389 456811363 /nfs/dbraw/zinc/81/13/63/456811363.db2.gz IPMSIJAKUIQNIH-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622389 456811371 /nfs/dbraw/zinc/81/13/71/456811371.db2.gz IPMSIJAKUIQNIH-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000344300440 456813893 /nfs/dbraw/zinc/81/38/93/456813893.db2.gz VBSMDHZVAZUIFB-XLNTUCKNSA-N 2 2 341.499 3.154 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4[NH2+]CCC[C@H]4C3)cc2)cs1 ZINC000353682872 456851987 /nfs/dbraw/zinc/85/19/87/456851987.db2.gz DZENYRIZTYWDCD-LPHOPBHVSA-N 2 2 343.496 3.214 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H]4[NH2+]CCC[C@H]4C3)cc2)cs1 ZINC000353682872 456851992 /nfs/dbraw/zinc/85/19/92/456851992.db2.gz DZENYRIZTYWDCD-LPHOPBHVSA-N 2 2 343.496 3.214 20 0 EGADLP COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000348783554 456854326 /nfs/dbraw/zinc/85/43/26/456854326.db2.gz JIVJAWXYZBBUIA-QGZVFWFLSA-N 2 2 337.423 3.386 20 0 EGADLP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000348783554 456854330 /nfs/dbraw/zinc/85/43/30/456854330.db2.gz JIVJAWXYZBBUIA-QGZVFWFLSA-N 2 2 337.423 3.386 20 0 EGADLP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341497892 456869901 /nfs/dbraw/zinc/86/99/01/456869901.db2.gz JUFUACICAWRZDR-INIZCTEOSA-N 2 2 327.447 3.406 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C[C@H]1C ZINC000348833973 456876357 /nfs/dbraw/zinc/87/63/57/456876357.db2.gz OSPBCGCESGCIFF-HYVNUMGLSA-N 2 2 342.443 3.106 20 0 EGADLP c1cn(Cc2ccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)nc2)c[nH+]1 ZINC000348838733 456878222 /nfs/dbraw/zinc/87/82/22/456878222.db2.gz QLONQTRPWZAGLK-FQEVSTJZSA-N 2 2 347.466 3.403 20 0 EGADLP c1cn(Cc2ccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2)c[nH+]1 ZINC000348838733 456878227 /nfs/dbraw/zinc/87/82/27/456878227.db2.gz QLONQTRPWZAGLK-FQEVSTJZSA-N 2 2 347.466 3.403 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765978 456898209 /nfs/dbraw/zinc/89/82/09/456898209.db2.gz FRLVNKRXXOPFPA-OXQOHEQNSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765978 456898215 /nfs/dbraw/zinc/89/82/15/456898215.db2.gz FRLVNKRXXOPFPA-OXQOHEQNSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765978 456898219 /nfs/dbraw/zinc/89/82/19/456898219.db2.gz FRLVNKRXXOPFPA-OXQOHEQNSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765978 456898223 /nfs/dbraw/zinc/89/82/23/456898223.db2.gz FRLVNKRXXOPFPA-OXQOHEQNSA-N 2 2 326.488 3.485 20 0 EGADLP COc1ccc2nc(C[NH2+]C3CC[NH+](CC4CC4)CC3)sc2c1 ZINC000353771313 456899490 /nfs/dbraw/zinc/89/94/90/456899490.db2.gz BDELZGINKCVOEO-UHFFFAOYSA-N 2 2 331.485 3.269 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179834 456955642 /nfs/dbraw/zinc/95/56/42/456955642.db2.gz AWIOTGROGKEYBX-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179834 456955647 /nfs/dbraw/zinc/95/56/47/456955647.db2.gz AWIOTGROGKEYBX-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP COC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341827098 456961425 /nfs/dbraw/zinc/96/14/25/456961425.db2.gz UTKRNXRDAFCUOK-MRXNPFEDSA-N 2 2 330.394 3.468 20 0 EGADLP C[C@H]1C[C@@H]1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406578 456963425 /nfs/dbraw/zinc/96/34/25/456963425.db2.gz LXEGWGLPQSSWHO-QWHCGFSZSA-N 2 2 338.249 3.397 20 0 EGADLP C[C@H]1C[C@@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406578 456963430 /nfs/dbraw/zinc/96/34/30/456963430.db2.gz LXEGWGLPQSSWHO-QWHCGFSZSA-N 2 2 338.249 3.397 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329965166 456968765 /nfs/dbraw/zinc/96/87/65/456968765.db2.gz UYCABLAVYWIXJD-VXGBXAGGSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329965166 456968766 /nfs/dbraw/zinc/96/87/66/456968766.db2.gz UYCABLAVYWIXJD-VXGBXAGGSA-N 2 2 329.429 3.462 20 0 EGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353950503 456976825 /nfs/dbraw/zinc/97/68/25/456976825.db2.gz CGFDTKICUSBXSA-DXDKGHSRSA-N 2 2 349.563 3.120 20 0 EGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353950503 456976828 /nfs/dbraw/zinc/97/68/28/456976828.db2.gz CGFDTKICUSBXSA-DXDKGHSRSA-N 2 2 349.563 3.120 20 0 EGADLP CCc1nocc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000339180034 456979762 /nfs/dbraw/zinc/97/97/62/456979762.db2.gz NCOVFUNDDQOZGP-HOTGVXAUSA-N 2 2 343.471 3.136 20 0 EGADLP COc1ccc(F)c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000339180726 456980710 /nfs/dbraw/zinc/98/07/10/456980710.db2.gz GSCBIXBSPJIMIK-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP CSCc1cnc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000339183759 456982390 /nfs/dbraw/zinc/98/23/90/456982390.db2.gz OUZLJJHDDBEYSC-ZIAGYGMSSA-N 2 2 327.563 3.464 20 0 EGADLP Cc1cccc(C[NH+]2CCN(Cc3c[nH+]c4c(C)cccn34)CC2)c1 ZINC000349613112 456994974 /nfs/dbraw/zinc/99/49/74/456994974.db2.gz BZCXSYFCZJKKFR-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc2n[nH]cc2c1 ZINC000353999236 456997876 /nfs/dbraw/zinc/99/78/76/456997876.db2.gz ZMARBHLEXBJXDR-OAHLLOKOSA-N 2 2 335.455 3.273 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018906 457014150 /nfs/dbraw/zinc/01/41/50/457014150.db2.gz SKWOSPUWTHFSPH-NVGVWMPQSA-N 2 2 343.298 3.489 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018906 457014153 /nfs/dbraw/zinc/01/41/53/457014153.db2.gz SKWOSPUWTHFSPH-NVGVWMPQSA-N 2 2 343.298 3.489 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@H+](C)Cc1ccccc1 ZINC000354031741 457022432 /nfs/dbraw/zinc/02/24/32/457022432.db2.gz OGOCLKOMRYOLRQ-SFHVURJKSA-N 2 2 336.439 3.492 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@@H+](C)Cc1ccccc1 ZINC000354031741 457022434 /nfs/dbraw/zinc/02/24/34/457022434.db2.gz OGOCLKOMRYOLRQ-SFHVURJKSA-N 2 2 336.439 3.492 20 0 EGADLP COC1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000349717986 457025743 /nfs/dbraw/zinc/02/57/43/457025743.db2.gz DTWIYQBDVSTWQM-CZOVOBHWSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000349717986 457025747 /nfs/dbraw/zinc/02/57/47/457025747.db2.gz DTWIYQBDVSTWQM-CZOVOBHWSA-N 2 2 345.531 3.477 20 0 EGADLP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661970 457032126 /nfs/dbraw/zinc/03/21/26/457032126.db2.gz HIMXFSXAKCTQTJ-LPHOPBHVSA-N 2 2 335.455 3.098 20 0 EGADLP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661970 457032128 /nfs/dbraw/zinc/03/21/28/457032128.db2.gz HIMXFSXAKCTQTJ-LPHOPBHVSA-N 2 2 335.455 3.098 20 0 EGADLP CCc1nc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc(C)[nH+]1 ZINC000341975159 457035963 /nfs/dbraw/zinc/03/59/63/457035963.db2.gz QXUSSNOKWQOKJF-INIZCTEOSA-N 2 2 340.471 3.239 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccn(C)n1 ZINC000349771785 457046824 /nfs/dbraw/zinc/04/68/24/457046824.db2.gz AHWJSRQQYPYDNK-MAUKXSAKSA-N 2 2 327.476 3.081 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000354100207 457061854 /nfs/dbraw/zinc/06/18/54/457061854.db2.gz KPILGVQCTCAFOB-CQSZACIVSA-N 2 2 330.394 3.037 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000354100207 457061858 /nfs/dbraw/zinc/06/18/58/457061858.db2.gz KPILGVQCTCAFOB-CQSZACIVSA-N 2 2 330.394 3.037 20 0 EGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000349822702 457067913 /nfs/dbraw/zinc/06/79/13/457067913.db2.gz QJVJJTDINZVBSL-KXBFYZLASA-N 2 2 346.496 3.044 20 0 EGADLP COc1ccsc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000349822702 457067919 /nfs/dbraw/zinc/06/79/19/457067919.db2.gz QJVJJTDINZVBSL-KXBFYZLASA-N 2 2 346.496 3.044 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(Cl)c1OC ZINC000354167902 457105972 /nfs/dbraw/zinc/10/59/72/457105972.db2.gz UIPOPGXBEKSEBW-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(Cl)c1OC ZINC000354167902 457105977 /nfs/dbraw/zinc/10/59/77/457105977.db2.gz UIPOPGXBEKSEBW-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc(Cl)c1OC ZINC000354167902 457105981 /nfs/dbraw/zinc/10/59/81/457105981.db2.gz UIPOPGXBEKSEBW-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc(Cl)c1OC ZINC000354167902 457105987 /nfs/dbraw/zinc/10/59/87/457105987.db2.gz UIPOPGXBEKSEBW-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000339431594 457114625 /nfs/dbraw/zinc/11/46/25/457114625.db2.gz DVCGEHJKIOZYFD-UHFFFAOYSA-N 2 2 348.450 3.174 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)c1 ZINC000349960130 457121211 /nfs/dbraw/zinc/12/12/11/457121211.db2.gz AMLBLNPUEVDGNU-NSCUHMNNSA-N 2 2 345.393 3.204 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(C)c1OC ZINC000342187286 457157798 /nfs/dbraw/zinc/15/77/98/457157798.db2.gz LZUXMUOTTZQWOY-MRXNPFEDSA-N 2 2 329.444 3.184 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798629 457176222 /nfs/dbraw/zinc/17/62/22/457176222.db2.gz PWPMIGHQJSTDQO-PMUMKWKESA-N 2 2 330.476 3.104 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798629 457176225 /nfs/dbraw/zinc/17/62/25/457176225.db2.gz PWPMIGHQJSTDQO-PMUMKWKESA-N 2 2 330.476 3.104 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000356865300 457185416 /nfs/dbraw/zinc/18/54/16/457185416.db2.gz LIPAPAQKVLCHSP-KPFFTGBYSA-N 2 2 332.488 3.237 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347014483 457195882 /nfs/dbraw/zinc/19/58/82/457195882.db2.gz XNHTZSWWZILNQD-BEFAXECRSA-N 2 2 337.458 3.033 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347014483 457195891 /nfs/dbraw/zinc/19/58/91/457195891.db2.gz XNHTZSWWZILNQD-BEFAXECRSA-N 2 2 337.458 3.033 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000347078478 457218550 /nfs/dbraw/zinc/21/85/50/457218550.db2.gz VRPSKEIXHLRQKZ-QWHCGFSZSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000347078478 457218556 /nfs/dbraw/zinc/21/85/56/457218556.db2.gz VRPSKEIXHLRQKZ-QWHCGFSZSA-N 2 2 328.403 3.246 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1OC(C)C ZINC000347088471 457223978 /nfs/dbraw/zinc/22/39/78/457223978.db2.gz CRGRIWSUWNPWPQ-UHFFFAOYSA-N 2 2 332.488 3.446 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2SC)C1 ZINC000347091520 457226479 /nfs/dbraw/zinc/22/64/79/457226479.db2.gz FXYFFTHKJHHIHD-NSHDSACASA-N 2 2 329.307 3.212 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2SC)C1 ZINC000347091520 457226485 /nfs/dbraw/zinc/22/64/85/457226485.db2.gz FXYFFTHKJHHIHD-NSHDSACASA-N 2 2 329.307 3.212 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347100473 457229241 /nfs/dbraw/zinc/22/92/41/457229241.db2.gz JSEFYLUVRCMBTM-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347100473 457229245 /nfs/dbraw/zinc/22/92/45/457229245.db2.gz JSEFYLUVRCMBTM-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COCCCOc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000347117372 457238266 /nfs/dbraw/zinc/23/82/66/457238266.db2.gz UNHJQWJVIDUJTO-UHFFFAOYSA-N 2 2 332.488 3.066 20 0 EGADLP CCCOc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1OC ZINC000347117806 457238397 /nfs/dbraw/zinc/23/83/97/457238397.db2.gz XDURSIODWUCMDK-UHFFFAOYSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCCC[C@@H](CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363226052 457263346 /nfs/dbraw/zinc/26/33/46/457263346.db2.gz QTPWBSNJFJARNR-QZTJIDSGSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@@H](CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363226052 457263353 /nfs/dbraw/zinc/26/33/53/457263353.db2.gz QTPWBSNJFJARNR-QZTJIDSGSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@@H]1C[N@@H+](CCCCNc2[nH+]ccc3ccc(F)cc32)C[C@H](C)O1 ZINC000354534065 457274648 /nfs/dbraw/zinc/27/46/48/457274648.db2.gz GMTHRIFDWGXWLK-GASCZTMLSA-N 2 2 331.435 3.097 20 0 EGADLP C[C@@H]1C[N@H+](CCCCNc2[nH+]ccc3ccc(F)cc32)C[C@H](C)O1 ZINC000354534065 457274654 /nfs/dbraw/zinc/27/46/54/457274654.db2.gz GMTHRIFDWGXWLK-GASCZTMLSA-N 2 2 331.435 3.097 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1C[NH3+] ZINC000347216186 457292416 /nfs/dbraw/zinc/29/24/16/457292416.db2.gz RCKBQRMSRRREMK-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1C[NH3+] ZINC000347216186 457292423 /nfs/dbraw/zinc/29/24/23/457292423.db2.gz RCKBQRMSRRREMK-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[N@@H+](C)Cc2ccccc2)c1C ZINC000354671448 457307256 /nfs/dbraw/zinc/30/72/56/457307256.db2.gz MAZJOAHVLSJGHB-UHFFFAOYSA-N 2 2 347.466 3.121 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[N@H+](C)Cc2ccccc2)c1C ZINC000354671448 457307262 /nfs/dbraw/zinc/30/72/62/457307262.db2.gz MAZJOAHVLSJGHB-UHFFFAOYSA-N 2 2 347.466 3.121 20 0 EGADLP CCN(CCC[NH+]1CCCC1)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000357130959 457339070 /nfs/dbraw/zinc/33/90/70/457339070.db2.gz YBLXIIPQAJVSFR-UHFFFAOYSA-N 2 2 342.487 3.069 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360840219 457377947 /nfs/dbraw/zinc/37/79/47/457377947.db2.gz MKSUTHFOSDSDCZ-LJQANCHMSA-N 2 2 331.504 3.402 20 0 EGADLP FCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352464790 457388590 /nfs/dbraw/zinc/38/85/90/457388590.db2.gz XHYDFOBNXOSWQL-UHFFFAOYSA-N 2 2 330.201 3.100 20 0 EGADLP FCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352464790 457388596 /nfs/dbraw/zinc/38/85/96/457388596.db2.gz XHYDFOBNXOSWQL-UHFFFAOYSA-N 2 2 330.201 3.100 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000357240503 457395796 /nfs/dbraw/zinc/39/57/96/457395796.db2.gz VGBBGQDWBXLFRQ-CQSZACIVSA-N 2 2 343.862 3.176 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000357240503 457395802 /nfs/dbraw/zinc/39/58/02/457395802.db2.gz VGBBGQDWBXLFRQ-CQSZACIVSA-N 2 2 343.862 3.176 20 0 EGADLP FCCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352492101 457410325 /nfs/dbraw/zinc/41/03/25/457410325.db2.gz VQBSDADFCNYTBN-UHFFFAOYSA-N 2 2 344.228 3.491 20 0 EGADLP FCCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352492101 457410328 /nfs/dbraw/zinc/41/03/28/457410328.db2.gz VQBSDADFCNYTBN-UHFFFAOYSA-N 2 2 344.228 3.491 20 0 EGADLP COc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000379650957 457414755 /nfs/dbraw/zinc/41/47/55/457414755.db2.gz TUKIHFNLGYSFEP-HOCLYGCPSA-N 2 2 331.485 3.294 20 0 EGADLP COc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000379650957 457414760 /nfs/dbraw/zinc/41/47/60/457414760.db2.gz TUKIHFNLGYSFEP-HOCLYGCPSA-N 2 2 331.485 3.294 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC000360894762 457415029 /nfs/dbraw/zinc/41/50/29/457415029.db2.gz QSEYTZJWIQMZNU-AZUAARDMSA-N 2 2 345.531 3.205 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC000360894762 457415034 /nfs/dbraw/zinc/41/50/34/457415034.db2.gz QSEYTZJWIQMZNU-AZUAARDMSA-N 2 2 345.531 3.205 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccco3)o2)[nH+]1 ZINC000369899655 457451813 /nfs/dbraw/zinc/45/18/13/457451813.db2.gz IXYNWXBEBVUSRK-AWEZNQCLSA-N 2 2 339.399 3.110 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccco3)o2)[nH+]1 ZINC000369899655 457451819 /nfs/dbraw/zinc/45/18/19/457451819.db2.gz IXYNWXBEBVUSRK-AWEZNQCLSA-N 2 2 339.399 3.110 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000360948860 457455923 /nfs/dbraw/zinc/45/59/23/457455923.db2.gz WSICMUKYFYIGIK-QGZVFWFLSA-N 3 2 344.528 3.314 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000360955015 457464380 /nfs/dbraw/zinc/46/43/80/457464380.db2.gz ISKLCISQMFQEQL-LSDHHAIUSA-N 2 2 332.448 3.320 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1)CC(C)C ZINC000347527673 457486456 /nfs/dbraw/zinc/48/64/56/457486456.db2.gz FOBQIDYQTYJBFZ-UHFFFAOYSA-N 2 2 333.524 3.262 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1)CC(C)C ZINC000347527673 457486464 /nfs/dbraw/zinc/48/64/64/457486464.db2.gz FOBQIDYQTYJBFZ-UHFFFAOYSA-N 2 2 333.524 3.262 20 0 EGADLP CCCCC[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364144623 457497067 /nfs/dbraw/zinc/49/70/67/457497067.db2.gz PDMNVAWINRPBPI-FXAWDEMLSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCC[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364144623 457497074 /nfs/dbraw/zinc/49/70/74/457497074.db2.gz PDMNVAWINRPBPI-FXAWDEMLSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc(C(C)C)[nH+]1 ZINC000361001478 457501672 /nfs/dbraw/zinc/50/16/72/457501672.db2.gz GYXXBGLTPRBBPH-GOSISDBHSA-N 2 2 339.487 3.262 20 0 EGADLP Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C(C)C)[nH+]1 ZINC000361001478 457501677 /nfs/dbraw/zinc/50/16/77/457501677.db2.gz GYXXBGLTPRBBPH-GOSISDBHSA-N 2 2 339.487 3.262 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401047008 457522399 /nfs/dbraw/zinc/52/23/99/457522399.db2.gz RKVFDRXKUNZZRX-MHTWAQMVSA-N 3 2 329.532 3.121 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401047008 457522405 /nfs/dbraw/zinc/52/24/05/457522405.db2.gz RKVFDRXKUNZZRX-MHTWAQMVSA-N 3 2 329.532 3.121 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC4(CCC4)[C@H]3C3CC3)c2cc1C ZINC000357450972 457536626 /nfs/dbraw/zinc/53/66/26/457536626.db2.gz IZNYAIOQZZQROS-FXAWDEMLSA-N 2 2 339.483 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC4(CCC4)[C@H]3C3CC3)c2cc1C ZINC000357450972 457536631 /nfs/dbraw/zinc/53/66/31/457536631.db2.gz IZNYAIOQZZQROS-FXAWDEMLSA-N 2 2 339.483 3.279 20 0 EGADLP COc1c(O)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352715898 457554319 /nfs/dbraw/zinc/55/43/19/457554319.db2.gz HDFJKVXKPUQVQM-SJORKVTESA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352715898 457554325 /nfs/dbraw/zinc/55/43/25/457554325.db2.gz HDFJKVXKPUQVQM-SJORKVTESA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352715898 457554329 /nfs/dbraw/zinc/55/43/29/457554329.db2.gz HDFJKVXKPUQVQM-SJORKVTESA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352715898 457554331 /nfs/dbraw/zinc/55/43/31/457554331.db2.gz HDFJKVXKPUQVQM-SJORKVTESA-N 2 2 332.488 3.487 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361062416 457556946 /nfs/dbraw/zinc/55/69/46/457556946.db2.gz LTEDXMXZLZWFKP-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP Cc1cccn2c(CN3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)c[nH+]c12 ZINC000342857937 457559641 /nfs/dbraw/zinc/55/96/41/457559641.db2.gz FXAHYRPTOLWCNU-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1cccn2c(CN3CC[N@H+](C)[C@H](Cc4ccccc4)C3)c[nH+]c12 ZINC000342857937 457559650 /nfs/dbraw/zinc/55/96/50/457559650.db2.gz FXAHYRPTOLWCNU-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)C[C@H]1COc2ccccc2O1 ZINC000347631232 457561901 /nfs/dbraw/zinc/56/19/01/457561901.db2.gz FHJPUHUICHWJJK-SFHVURJKSA-N 2 2 326.440 3.485 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)C[C@H]1COc2ccccc2O1 ZINC000347631232 457561904 /nfs/dbraw/zinc/56/19/04/457561904.db2.gz FHJPUHUICHWJJK-SFHVURJKSA-N 2 2 326.440 3.485 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000374361398 457598746 /nfs/dbraw/zinc/59/87/46/457598746.db2.gz WLVATYRTAGCFNK-UHFFFAOYSA-N 2 2 330.863 3.193 20 0 EGADLP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425677883 457628131 /nfs/dbraw/zinc/62/81/31/457628131.db2.gz VKDHGVQWOTYEAL-UHFFFAOYSA-N 2 2 341.459 3.006 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199162 457642398 /nfs/dbraw/zinc/64/23/98/457642398.db2.gz BWTYPMQAWOIYEG-CRAIPNDOSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199162 457642401 /nfs/dbraw/zinc/64/24/01/457642401.db2.gz BWTYPMQAWOIYEG-CRAIPNDOSA-N 2 2 326.488 3.432 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000361204944 457644183 /nfs/dbraw/zinc/64/41/83/457644183.db2.gz WPRDXZWYYODEMC-LJQANCHMSA-N 2 2 344.499 3.315 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000361204944 457644186 /nfs/dbraw/zinc/64/41/86/457644186.db2.gz WPRDXZWYYODEMC-LJQANCHMSA-N 2 2 344.499 3.315 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000425917250 457651420 /nfs/dbraw/zinc/65/14/20/457651420.db2.gz GMHJFPBREWIINQ-OLZOCXBDSA-N 2 2 335.883 3.077 20 0 EGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CCN(CC(F)F)CC1)[NH+](C)C ZINC000361456018 457737513 /nfs/dbraw/zinc/73/75/13/457737513.db2.gz HJIPSKSPKURQCG-DNVCBOLYSA-N 2 2 339.474 3.305 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000361458798 457738773 /nfs/dbraw/zinc/73/87/73/457738773.db2.gz IDZOCTSBSBPHTF-CQSZACIVSA-N 2 2 332.341 3.266 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000371085894 457783700 /nfs/dbraw/zinc/78/37/00/457783700.db2.gz HOLKVDNNNORMPJ-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000371085894 457783707 /nfs/dbraw/zinc/78/37/07/457783707.db2.gz HOLKVDNNNORMPJ-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358087978 457778409 /nfs/dbraw/zinc/77/84/09/457778409.db2.gz RFUVCZDCFHDDNM-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358087978 457778415 /nfs/dbraw/zinc/77/84/15/457778415.db2.gz RFUVCZDCFHDDNM-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137415 457808001 /nfs/dbraw/zinc/80/80/01/457808001.db2.gz GPUZVTZPOPMBSA-DNVCBOLYSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137415 457808006 /nfs/dbraw/zinc/80/80/06/457808006.db2.gz GPUZVTZPOPMBSA-DNVCBOLYSA-N 2 2 345.437 3.403 20 0 EGADLP C[NH+](C)[C@H](CC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000433344570 457817318 /nfs/dbraw/zinc/81/73/18/457817318.db2.gz SLTCINBGGLXEBE-GOSISDBHSA-N 2 2 340.471 3.083 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cc2c1 ZINC000411186069 457823478 /nfs/dbraw/zinc/82/34/78/457823478.db2.gz INQNSBJAVONZJU-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc2c1 ZINC000411186069 457823486 /nfs/dbraw/zinc/82/34/86/457823486.db2.gz INQNSBJAVONZJU-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762057 457843093 /nfs/dbraw/zinc/84/30/93/457843093.db2.gz BNSVYGXRVISINW-YQQAZPJKSA-N 2 2 327.476 3.017 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762057 457843100 /nfs/dbraw/zinc/84/31/00/457843100.db2.gz BNSVYGXRVISINW-YQQAZPJKSA-N 2 2 327.476 3.017 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536720 457843258 /nfs/dbraw/zinc/84/32/58/457843258.db2.gz TVIUZIXURDJNGH-MRXNPFEDSA-N 2 2 346.368 3.294 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536720 457843269 /nfs/dbraw/zinc/84/32/69/457843269.db2.gz TVIUZIXURDJNGH-MRXNPFEDSA-N 2 2 346.368 3.294 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536720 457843275 /nfs/dbraw/zinc/84/32/75/457843275.db2.gz TVIUZIXURDJNGH-MRXNPFEDSA-N 2 2 346.368 3.294 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536720 457843282 /nfs/dbraw/zinc/84/32/82/457843282.db2.gz TVIUZIXURDJNGH-MRXNPFEDSA-N 2 2 346.368 3.294 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000371269882 457844853 /nfs/dbraw/zinc/84/48/53/457844853.db2.gz CEBKCFAQIOYMAL-IBGZPJMESA-N 2 2 326.444 3.342 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1Cl ZINC000371291936 457850963 /nfs/dbraw/zinc/85/09/63/457850963.db2.gz AIDGGCJHDWMZHB-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)cc1Cl ZINC000371291936 457850968 /nfs/dbraw/zinc/85/09/68/457850968.db2.gz AIDGGCJHDWMZHB-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303400 457857087 /nfs/dbraw/zinc/85/70/87/457857087.db2.gz OJMUYDPMJWAJIP-PGRDOPGGSA-N 2 2 337.511 3.298 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303400 457857092 /nfs/dbraw/zinc/85/70/92/457857092.db2.gz OJMUYDPMJWAJIP-PGRDOPGGSA-N 2 2 337.511 3.298 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444173018 457862551 /nfs/dbraw/zinc/86/25/51/457862551.db2.gz YNAUOTCTPWWLPL-IAGOWNOFSA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444173018 457862555 /nfs/dbraw/zinc/86/25/55/457862555.db2.gz YNAUOTCTPWWLPL-IAGOWNOFSA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000444173018 457862562 /nfs/dbraw/zinc/86/25/62/457862562.db2.gz YNAUOTCTPWWLPL-IAGOWNOFSA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000444173018 457862564 /nfs/dbraw/zinc/86/25/64/457862564.db2.gz YNAUOTCTPWWLPL-IAGOWNOFSA-N 2 2 347.503 3.137 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444218263 457868575 /nfs/dbraw/zinc/86/85/75/457868575.db2.gz XEGNBQXCCUHNNK-MSOLQXFVSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444218263 457868582 /nfs/dbraw/zinc/86/85/82/457868582.db2.gz XEGNBQXCCUHNNK-MSOLQXFVSA-N 2 2 329.488 3.130 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874530 /nfs/dbraw/zinc/87/45/30/457874530.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874538 /nfs/dbraw/zinc/87/45/38/457874538.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874544 /nfs/dbraw/zinc/87/45/44/457874544.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231519 457874552 /nfs/dbraw/zinc/87/45/52/457874552.db2.gz TWDBREZTGCEGKY-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411428315 457886852 /nfs/dbraw/zinc/88/68/52/457886852.db2.gz OUJVTTGPJKKUGX-GOSISDBHSA-N 2 2 327.472 3.370 20 0 EGADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411428315 457886856 /nfs/dbraw/zinc/88/68/56/457886856.db2.gz OUJVTTGPJKKUGX-GOSISDBHSA-N 2 2 327.472 3.370 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000358304306 457922036 /nfs/dbraw/zinc/92/20/36/457922036.db2.gz SSGHQSPSIAYQNN-CQSZACIVSA-N 2 2 348.516 3.453 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+][C@H]3CCO[C@@H](c4c[nH+]cn4C)C3)sc2C1 ZINC000433990608 457925577 /nfs/dbraw/zinc/92/55/77/457925577.db2.gz QCFTVSIRFYSLAL-DVOMOZLQSA-N 2 2 346.500 3.011 20 0 EGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000433999642 457929533 /nfs/dbraw/zinc/92/95/33/457929533.db2.gz QSDLMYLQRAJIPP-FXAWDEMLSA-N 2 2 343.471 3.465 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC000358342740 457946637 /nfs/dbraw/zinc/94/66/37/457946637.db2.gz QUDNZLOUWJMYNW-RZQQEMMASA-N 2 2 326.488 3.042 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC000358342740 457946643 /nfs/dbraw/zinc/94/66/43/457946643.db2.gz QUDNZLOUWJMYNW-RZQQEMMASA-N 2 2 326.488 3.042 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374680 458125411 /nfs/dbraw/zinc/12/54/11/458125411.db2.gz JQOLRLBBWCIOHB-WCQYABFASA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374680 458125416 /nfs/dbraw/zinc/12/54/16/458125416.db2.gz JQOLRLBBWCIOHB-WCQYABFASA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376180 458125904 /nfs/dbraw/zinc/12/59/04/458125904.db2.gz YPOYJMKWVKJPIZ-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376180 458125908 /nfs/dbraw/zinc/12/59/08/458125908.db2.gz YPOYJMKWVKJPIZ-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+]3CCCC[C@H]3C[NH3+])cc2)cs1 ZINC000435377621 458127027 /nfs/dbraw/zinc/12/70/27/458127027.db2.gz DNLLXQYVGKGPBL-KRWDZBQOSA-N 2 2 331.485 3.344 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+]3CCCC[C@H]3C[NH3+])cc2)cs1 ZINC000435377621 458127032 /nfs/dbraw/zinc/12/70/32/458127032.db2.gz DNLLXQYVGKGPBL-KRWDZBQOSA-N 2 2 331.485 3.344 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000428405360 458135856 /nfs/dbraw/zinc/13/58/56/458135856.db2.gz WKEASNKOIPKHLX-MRXNPFEDSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000428405360 458135862 /nfs/dbraw/zinc/13/58/62/458135862.db2.gz WKEASNKOIPKHLX-MRXNPFEDSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000428405360 458135870 /nfs/dbraw/zinc/13/58/70/458135870.db2.gz WKEASNKOIPKHLX-MRXNPFEDSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)sc2C1 ZINC000428405360 458135879 /nfs/dbraw/zinc/13/58/79/458135879.db2.gz WKEASNKOIPKHLX-MRXNPFEDSA-N 2 2 349.544 3.301 20 0 EGADLP O=C(Nc1ccccc1)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000358677999 458145616 /nfs/dbraw/zinc/14/56/16/458145616.db2.gz JXGUCFXAWNEEFA-LJQANCHMSA-N 2 2 334.423 3.243 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccc(C)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440379 458148312 /nfs/dbraw/zinc/14/83/12/458148312.db2.gz WECXKESIFVVPRZ-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccc(C)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440379 458148317 /nfs/dbraw/zinc/14/83/17/458148317.db2.gz WECXKESIFVVPRZ-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP Cc1nc2ccccn2c1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435613541 458171829 /nfs/dbraw/zinc/17/18/29/458171829.db2.gz BTPTWCQEFUHBKR-IBGZPJMESA-N 2 2 349.482 3.182 20 0 EGADLP Cc1nc2ccccn2c1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435613541 458171834 /nfs/dbraw/zinc/17/18/34/458171834.db2.gz BTPTWCQEFUHBKR-IBGZPJMESA-N 2 2 349.482 3.182 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435613541 458171841 /nfs/dbraw/zinc/17/18/41/458171841.db2.gz BTPTWCQEFUHBKR-IBGZPJMESA-N 2 2 349.482 3.182 20 0 EGADLP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369334844 458176595 /nfs/dbraw/zinc/17/65/95/458176595.db2.gz JEWNDFRUIQKCAH-AZUAARDMSA-N 2 2 349.563 3.220 20 0 EGADLP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369334844 458176601 /nfs/dbraw/zinc/17/66/01/458176601.db2.gz JEWNDFRUIQKCAH-AZUAARDMSA-N 2 2 349.563 3.220 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c(N2CCCCC2)n1 ZINC000428664637 458187389 /nfs/dbraw/zinc/18/73/89/458187389.db2.gz MOXFWCNKVBGRBC-UHFFFAOYSA-N 2 2 342.491 3.142 20 0 EGADLP CCn1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c2ccccc21 ZINC000372124010 458201222 /nfs/dbraw/zinc/20/12/22/458201222.db2.gz HONQEHAPAWZTAN-INIZCTEOSA-N 2 2 337.471 3.244 20 0 EGADLP CCC[N@H+](CCC[NH2+]C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000435880388 458217528 /nfs/dbraw/zinc/21/75/28/458217528.db2.gz IROSRMBMRZYHGO-UHFFFAOYSA-N 2 2 332.275 3.253 20 0 EGADLP CCC[N@@H+](CCC[NH2+]C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000435880388 458217537 /nfs/dbraw/zinc/21/75/37/458217537.db2.gz IROSRMBMRZYHGO-UHFFFAOYSA-N 2 2 332.275 3.253 20 0 EGADLP CSCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358828376 458242277 /nfs/dbraw/zinc/24/22/77/458242277.db2.gz OBMQGFDFICIDCF-QGZVFWFLSA-N 2 2 342.936 3.008 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065495 458257903 /nfs/dbraw/zinc/25/79/03/458257903.db2.gz UBPQXGJWSDSZHQ-YESZJQIVSA-N 2 2 349.523 3.164 20 0 EGADLP COCCC1(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000436278168 458280924 /nfs/dbraw/zinc/28/09/24/458280924.db2.gz CGYRDNUYQGWRAM-QZTJIDSGSA-N 2 2 326.525 3.062 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(-c3ccccc3)nc1C)CCC2 ZINC000372581062 458307567 /nfs/dbraw/zinc/30/75/67/458307567.db2.gz DSPHTHPWBFCZGX-QGZVFWFLSA-N 2 2 335.455 3.353 20 0 EGADLP CC(C)c1nc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC000376468916 458309633 /nfs/dbraw/zinc/30/96/33/458309633.db2.gz XAYUBUORHAULPJ-UHFFFAOYSA-N 2 2 340.471 3.107 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000376559803 458338097 /nfs/dbraw/zinc/33/80/97/458338097.db2.gz ZKBSMJNFYZIEMR-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000376559803 458338099 /nfs/dbraw/zinc/33/80/99/458338099.db2.gz ZKBSMJNFYZIEMR-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459358210 458341840 /nfs/dbraw/zinc/34/18/40/458341840.db2.gz BZWLOUMPWNPGAJ-KZNAEPCWSA-N 2 2 331.485 3.201 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2c(F)cc(C)cc2Cl)CC1 ZINC000459391691 458357188 /nfs/dbraw/zinc/35/71/88/458357188.db2.gz CQBFYHSXUOMWDB-UHFFFAOYSA-N 2 2 328.859 3.378 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000459392925 458357609 /nfs/dbraw/zinc/35/76/09/458357609.db2.gz RQKQXAWOZUNUEB-GOSISDBHSA-N 2 2 341.846 3.127 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000459392925 458357614 /nfs/dbraw/zinc/35/76/14/458357614.db2.gz RQKQXAWOZUNUEB-GOSISDBHSA-N 2 2 341.846 3.127 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376676080 458366630 /nfs/dbraw/zinc/36/66/30/458366630.db2.gz ZLKNHIWZDRIYBJ-GOSISDBHSA-N 2 2 338.455 3.342 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032693 458381767 /nfs/dbraw/zinc/38/17/67/458381767.db2.gz XHXPCJWKVZTKPH-OALUTQOASA-N 2 2 349.563 3.364 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032693 458381771 /nfs/dbraw/zinc/38/17/71/458381771.db2.gz XHXPCJWKVZTKPH-OALUTQOASA-N 2 2 349.563 3.364 20 0 EGADLP Cc1ccc(CCC[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c[nH+]1 ZINC000430096386 458399901 /nfs/dbraw/zinc/39/99/01/458399901.db2.gz SCJORTFKCHERNH-UHFFFAOYSA-N 2 2 341.430 3.225 20 0 EGADLP Cc1ccc(CCC[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c[nH+]1 ZINC000430096386 458399907 /nfs/dbraw/zinc/39/99/07/458399907.db2.gz SCJORTFKCHERNH-UHFFFAOYSA-N 2 2 341.430 3.225 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)cn1 ZINC000376833888 458400690 /nfs/dbraw/zinc/40/06/90/458400690.db2.gz KUQNSUIWEXEZPF-LBPRGKRZSA-N 2 2 344.365 3.405 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1-c1ccccc1 ZINC000430132965 458406537 /nfs/dbraw/zinc/40/65/37/458406537.db2.gz DGOMPXLPCLHKFK-XGHQBKJUSA-N 2 2 338.499 3.343 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1-c1ccccc1 ZINC000430132965 458406540 /nfs/dbraw/zinc/40/65/40/458406540.db2.gz DGOMPXLPCLHKFK-XGHQBKJUSA-N 2 2 338.499 3.343 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1Cl ZINC000437112235 458427088 /nfs/dbraw/zinc/42/70/88/458427088.db2.gz HDLKOKNOQDCPHS-CQSZACIVSA-N 2 2 337.895 3.439 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cc2n(n1)CCC2 ZINC000423460342 458436319 /nfs/dbraw/zinc/43/63/19/458436319.db2.gz ASNRKPUSQXWOHZ-SIXWZSSISA-N 2 2 342.462 3.012 20 0 EGADLP Clc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492434 458442302 /nfs/dbraw/zinc/44/23/02/458442302.db2.gz NAYCOVVVTIKTCV-RBUKOAKNSA-N 2 2 330.859 3.398 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423492076 458442535 /nfs/dbraw/zinc/44/25/35/458442535.db2.gz LNFXMIFTFZPMAT-PMACEKPBSA-N 2 2 328.431 3.192 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423505121 458446254 /nfs/dbraw/zinc/44/62/54/458446254.db2.gz GMYFUUUXGBRDDD-WMZOPIPTSA-N 2 2 349.931 3.179 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423531544 458454056 /nfs/dbraw/zinc/45/40/56/458454056.db2.gz YAYFKWVRWUXIMK-ZBFHGGJFSA-N 2 2 326.868 3.014 20 0 EGADLP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000373300530 458456689 /nfs/dbraw/zinc/45/66/89/458456689.db2.gz RDQNTECEYDBOEZ-UHFFFAOYSA-N 2 2 335.333 3.082 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000430539786 458458050 /nfs/dbraw/zinc/45/80/50/458458050.db2.gz FVBABBITWAICIP-WMLDXEAASA-N 2 2 339.549 3.257 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000430539786 458458053 /nfs/dbraw/zinc/45/80/53/458458053.db2.gz FVBABBITWAICIP-WMLDXEAASA-N 2 2 339.549 3.257 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000430553057 458459337 /nfs/dbraw/zinc/45/93/37/458459337.db2.gz SUNBNMZRWOWYSY-SCWSEQNSSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000430553057 458459343 /nfs/dbraw/zinc/45/93/43/458459343.db2.gz SUNBNMZRWOWYSY-SCWSEQNSSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430557445 458461023 /nfs/dbraw/zinc/46/10/23/458461023.db2.gz NHKKLUHMIGRXNE-GFCCVEGCSA-N 2 2 336.867 3.292 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430557445 458461027 /nfs/dbraw/zinc/46/10/27/458461027.db2.gz NHKKLUHMIGRXNE-GFCCVEGCSA-N 2 2 336.867 3.292 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C(C)C)cc1 ZINC000430570326 458464020 /nfs/dbraw/zinc/46/40/20/458464020.db2.gz NBSJRTXXOWKODJ-NHCUHLMSSA-N 2 2 345.531 3.340 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593594 458468328 /nfs/dbraw/zinc/46/83/28/458468328.db2.gz SWPFXPZDPORSHM-SFHVURJKSA-N 2 2 337.467 3.366 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593594 458468332 /nfs/dbraw/zinc/46/83/32/458468332.db2.gz SWPFXPZDPORSHM-SFHVURJKSA-N 2 2 337.467 3.366 20 0 EGADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430606763 458470221 /nfs/dbraw/zinc/47/02/21/458470221.db2.gz ARQRLSBIBCAKLY-MRXNPFEDSA-N 2 2 339.439 3.101 20 0 EGADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430606763 458470227 /nfs/dbraw/zinc/47/02/27/458470227.db2.gz ARQRLSBIBCAKLY-MRXNPFEDSA-N 2 2 339.439 3.101 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603394 458470404 /nfs/dbraw/zinc/47/04/04/458470404.db2.gz YOXBAJUJAIVJFY-LSDHHAIUSA-N 2 2 342.462 3.059 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603394 458470410 /nfs/dbraw/zinc/47/04/10/458470410.db2.gz YOXBAJUJAIVJFY-LSDHHAIUSA-N 2 2 342.462 3.059 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430628258 458472679 /nfs/dbraw/zinc/47/26/79/458472679.db2.gz VFPUYGCJUQFTRP-GOSISDBHSA-N 2 2 337.467 3.370 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430628258 458472681 /nfs/dbraw/zinc/47/26/81/458472681.db2.gz VFPUYGCJUQFTRP-GOSISDBHSA-N 2 2 337.467 3.370 20 0 EGADLP [NH3+]C1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000430632415 458472864 /nfs/dbraw/zinc/47/28/64/458472864.db2.gz XKVWNQXGRYKSOV-UHFFFAOYSA-N 2 2 331.847 3.237 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@@H](C)[NH3+])n2)cc1F ZINC000430646403 458474786 /nfs/dbraw/zinc/47/47/86/458474786.db2.gz PFTBXDREUOMRDX-PBHICJAKSA-N 2 2 346.450 3.318 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@@H](C)[NH3+])n2)cc1F ZINC000430646403 458474790 /nfs/dbraw/zinc/47/47/90/458474790.db2.gz PFTBXDREUOMRDX-PBHICJAKSA-N 2 2 346.450 3.318 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423815531 458489543 /nfs/dbraw/zinc/48/95/43/458489543.db2.gz VFCTYMCYSLIHTB-KGLIPLIRSA-N 2 2 328.460 3.197 20 0 EGADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430919653 458504870 /nfs/dbraw/zinc/50/48/70/458504870.db2.gz RIMGZESHYBSRGL-CVEARBPZSA-N 2 2 339.483 3.089 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430917934 458505550 /nfs/dbraw/zinc/50/55/50/458505550.db2.gz FKPFCAYGXYNHBZ-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430917934 458505555 /nfs/dbraw/zinc/50/55/55/458505555.db2.gz FKPFCAYGXYNHBZ-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430935908 458508007 /nfs/dbraw/zinc/50/80/07/458508007.db2.gz WGPDHBJDQOSDBM-GJYPPUQNSA-N 2 2 337.467 3.350 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430935908 458508009 /nfs/dbraw/zinc/50/80/09/458508009.db2.gz WGPDHBJDQOSDBM-GJYPPUQNSA-N 2 2 337.467 3.350 20 0 EGADLP CC(C)c1csc([C@H]2CCC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)n1 ZINC000431095228 458528994 /nfs/dbraw/zinc/52/89/94/458528994.db2.gz UFLCYTAWIKUMAC-LBPRGKRZSA-N 2 2 349.504 3.223 20 0 EGADLP CC(C)c1csc([C@H]2CCC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)n1 ZINC000431095228 458528997 /nfs/dbraw/zinc/52/89/97/458528997.db2.gz UFLCYTAWIKUMAC-LBPRGKRZSA-N 2 2 349.504 3.223 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469022237 458550151 /nfs/dbraw/zinc/55/01/51/458550151.db2.gz NKINBPSVUZEQBY-YLJYHZDGSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469022237 458550159 /nfs/dbraw/zinc/55/01/59/458550159.db2.gz NKINBPSVUZEQBY-YLJYHZDGSA-N 2 2 340.515 3.334 20 0 EGADLP [NH3+][C@H](CCC(=O)NCCCNc1cccc[nH+]1)CC1CCCCC1 ZINC000424141415 458568939 /nfs/dbraw/zinc/56/89/39/458568939.db2.gz XEVJRBMROTUUPQ-QGZVFWFLSA-N 2 2 332.492 3.078 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000431413871 458569395 /nfs/dbraw/zinc/56/93/95/458569395.db2.gz JPIALPLLYDSFGR-MRXNPFEDSA-N 2 2 348.372 3.127 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000424277144 458603033 /nfs/dbraw/zinc/60/30/33/458603033.db2.gz BMYHEYFLJQWDMK-KBPBESRZSA-N 2 2 326.868 3.110 20 0 EGADLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000469988865 458604982 /nfs/dbraw/zinc/60/49/82/458604982.db2.gz AGYCOIZYYMVBSE-ZDUSSCGKSA-N 2 2 334.357 3.341 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@H]1CC[NH2+]C1 ZINC000469988865 458604986 /nfs/dbraw/zinc/60/49/86/458604986.db2.gz AGYCOIZYYMVBSE-ZDUSSCGKSA-N 2 2 334.357 3.341 20 0 EGADLP COCC(C)(C)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000494144140 458632190 /nfs/dbraw/zinc/63/21/90/458632190.db2.gz FBMKCJJUQGGDNG-KRWDZBQOSA-N 2 2 334.504 3.149 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCCC(C)C ZINC000494446126 458678068 /nfs/dbraw/zinc/67/80/68/458678068.db2.gz UBPMSQWWSCOXOQ-QGZVFWFLSA-N 2 2 343.471 3.421 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203161 458681692 /nfs/dbraw/zinc/68/16/92/458681692.db2.gz CKQYMWZWFIKBKB-YWZLYKJASA-N 2 2 347.934 3.377 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203161 458681699 /nfs/dbraw/zinc/68/16/99/458681699.db2.gz CKQYMWZWFIKBKB-YWZLYKJASA-N 2 2 347.934 3.377 20 0 EGADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000503577273 458715933 /nfs/dbraw/zinc/71/59/33/458715933.db2.gz VUEXRUKLALRUQS-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000503577273 458715941 /nfs/dbraw/zinc/71/59/41/458715941.db2.gz VUEXRUKLALRUQS-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217630 458720295 /nfs/dbraw/zinc/72/02/95/458720295.db2.gz UQLYBIVLOXNSLG-CVEARBPZSA-N 2 2 330.863 3.037 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)CCCO1 ZINC000432350491 458721553 /nfs/dbraw/zinc/72/15/53/458721553.db2.gz YNPCJUOWIMMYQW-MRXNPFEDSA-N 2 2 345.512 3.401 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)CCCO1 ZINC000432350491 458721559 /nfs/dbraw/zinc/72/15/59/458721559.db2.gz YNPCJUOWIMMYQW-MRXNPFEDSA-N 2 2 345.512 3.401 20 0 EGADLP CC(C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829253 458739429 /nfs/dbraw/zinc/73/94/29/458739429.db2.gz ARPFNKKJEHIWCP-ZWKOTPCHSA-N 2 2 342.487 3.365 20 0 EGADLP CC(C)c1noc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829253 458739432 /nfs/dbraw/zinc/73/94/32/458739432.db2.gz ARPFNKKJEHIWCP-ZWKOTPCHSA-N 2 2 342.487 3.365 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000439694346 458741987 /nfs/dbraw/zinc/74/19/87/458741987.db2.gz VUUWOFXYDNBSLT-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000439694346 458741992 /nfs/dbraw/zinc/74/19/92/458741992.db2.gz VUUWOFXYDNBSLT-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2[nH+]1 ZINC000495250088 458820622 /nfs/dbraw/zinc/82/06/22/458820622.db2.gz PHYSVMYLEHMDQE-QGZVFWFLSA-N 2 2 326.444 3.471 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2[nH+]1 ZINC000495250088 458820627 /nfs/dbraw/zinc/82/06/27/458820627.db2.gz PHYSVMYLEHMDQE-QGZVFWFLSA-N 2 2 326.444 3.471 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902451 458842790 /nfs/dbraw/zinc/84/27/90/458842790.db2.gz DOYGOWZOQSSBHY-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902451 458842794 /nfs/dbraw/zinc/84/27/94/458842794.db2.gz DOYGOWZOQSSBHY-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902451 458842797 /nfs/dbraw/zinc/84/27/97/458842797.db2.gz DOYGOWZOQSSBHY-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902451 458842803 /nfs/dbraw/zinc/84/28/03/458842803.db2.gz DOYGOWZOQSSBHY-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1 ZINC000440804172 458855661 /nfs/dbraw/zinc/85/56/61/458855661.db2.gz NFNLMBQGMAKZNA-UHFFFAOYSA-N 2 2 326.366 3.040 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)Cc1ccccc1 ZINC000440804172 458855665 /nfs/dbraw/zinc/85/56/65/458855665.db2.gz NFNLMBQGMAKZNA-UHFFFAOYSA-N 2 2 326.366 3.040 20 0 EGADLP CC(C)[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273466 458873410 /nfs/dbraw/zinc/87/34/10/458873410.db2.gz LTIXAJVDXZVARZ-FPOVZHCZSA-N 2 2 330.516 3.470 20 0 EGADLP CC(C)[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273466 458873415 /nfs/dbraw/zinc/87/34/15/458873415.db2.gz LTIXAJVDXZVARZ-FPOVZHCZSA-N 2 2 330.516 3.470 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)c2C1 ZINC000518543925 458877541 /nfs/dbraw/zinc/87/75/41/458877541.db2.gz XKZHZPWYHSGRGK-INIZCTEOSA-N 2 2 338.455 3.118 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)c2C1 ZINC000518543925 458877547 /nfs/dbraw/zinc/87/75/47/458877547.db2.gz XKZHZPWYHSGRGK-INIZCTEOSA-N 2 2 338.455 3.118 20 0 EGADLP C[NH+](C)Cc1csc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000457295055 458915247 /nfs/dbraw/zinc/91/52/47/458915247.db2.gz QQLCNWPSHUMWLY-UHFFFAOYSA-N 2 2 344.484 3.053 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441335099 458921315 /nfs/dbraw/zinc/92/13/15/458921315.db2.gz XLSVIJXYAHXWQD-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441335099 458921317 /nfs/dbraw/zinc/92/13/17/458921317.db2.gz XLSVIJXYAHXWQD-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441335099 458921320 /nfs/dbraw/zinc/92/13/20/458921320.db2.gz XLSVIJXYAHXWQD-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441335099 458921322 /nfs/dbraw/zinc/92/13/22/458921322.db2.gz XLSVIJXYAHXWQD-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475345864 458938215 /nfs/dbraw/zinc/93/82/15/458938215.db2.gz LJPHSNOMWREFRF-KDURUIRLSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475345864 458938221 /nfs/dbraw/zinc/93/82/21/458938221.db2.gz LJPHSNOMWREFRF-KDURUIRLSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475345864 458938228 /nfs/dbraw/zinc/93/82/28/458938228.db2.gz LJPHSNOMWREFRF-KDURUIRLSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475345864 458938233 /nfs/dbraw/zinc/93/82/33/458938233.db2.gz LJPHSNOMWREFRF-KDURUIRLSA-N 2 2 338.499 3.271 20 0 EGADLP CC1(C)CCC[N@H+]1CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000556705339 458992486 /nfs/dbraw/zinc/99/24/86/458992486.db2.gz MSKBCGFDVPANAR-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000577189801 458995573 /nfs/dbraw/zinc/99/55/73/458995573.db2.gz YPMICVAGELYGMX-HNNXBMFYSA-N 2 2 335.411 3.083 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531948255 459004995 /nfs/dbraw/zinc/00/49/95/459004995.db2.gz XMQFUHREPQTOMZ-LZQZEXGQSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C[C@H](C)O1 ZINC000566836746 459008286 /nfs/dbraw/zinc/00/82/86/459008286.db2.gz DSRDFXAGLVRCDC-BCDXTJNWSA-N 2 2 338.536 3.346 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C[C@H](C)O1 ZINC000566836746 459008288 /nfs/dbraw/zinc/00/82/88/459008288.db2.gz DSRDFXAGLVRCDC-BCDXTJNWSA-N 2 2 338.536 3.346 20 0 EGADLP Cc1cccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1F ZINC000519864124 459017480 /nfs/dbraw/zinc/01/74/80/459017480.db2.gz KWISHFAGJBMAKX-FQEVSTJZSA-N 2 2 341.474 3.212 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442652995 459021485 /nfs/dbraw/zinc/02/14/85/459021485.db2.gz QSIIERSLIJPDBR-QZTJIDSGSA-N 2 2 333.479 3.398 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442786368 459035522 /nfs/dbraw/zinc/03/55/22/459035522.db2.gz BCAKLFOXXVSMLN-HNNXBMFYSA-N 2 2 341.499 3.114 20 0 EGADLP C[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442797854 459038286 /nfs/dbraw/zinc/03/82/86/459038286.db2.gz XEBJPILSMAIGMV-JCHQDKQGSA-N 2 2 349.544 3.166 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442797854 459038292 /nfs/dbraw/zinc/03/82/92/459038292.db2.gz XEBJPILSMAIGMV-JCHQDKQGSA-N 2 2 349.544 3.166 20 0 EGADLP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000442798231 459038348 /nfs/dbraw/zinc/03/83/48/459038348.db2.gz WDJYERGDQCKIHY-NVXWUHKLSA-N 2 2 349.544 3.002 20 0 EGADLP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000442798231 459038353 /nfs/dbraw/zinc/03/83/53/459038353.db2.gz WDJYERGDQCKIHY-NVXWUHKLSA-N 2 2 349.544 3.002 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000532188389 459043514 /nfs/dbraw/zinc/04/35/14/459043514.db2.gz VXOIHJFKCHWKKX-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000577517160 459046233 /nfs/dbraw/zinc/04/62/33/459046233.db2.gz AFLAFHGHVJGXKW-KRWDZBQOSA-N 2 2 338.455 3.357 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513117 459070991 /nfs/dbraw/zinc/07/09/91/459070991.db2.gz LDBVIVDQSJKQRP-JFIYKMOQSA-N 2 2 332.488 3.389 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513117 459070994 /nfs/dbraw/zinc/07/09/94/459070994.db2.gz LDBVIVDQSJKQRP-JFIYKMOQSA-N 2 2 332.488 3.389 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000594520854 459077757 /nfs/dbraw/zinc/07/77/57/459077757.db2.gz QEBUVDOJPFRMHD-ZGUYJTEBSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000594520854 459077760 /nfs/dbraw/zinc/07/77/60/459077760.db2.gz QEBUVDOJPFRMHD-ZGUYJTEBSA-N 2 2 336.520 3.493 20 0 EGADLP Cc1sc2[nH]c(C[NH2+][C@H](C[NH3+])C3CCCCC3)nc(=O)c2c1C ZINC000567365215 459094015 /nfs/dbraw/zinc/09/40/15/459094015.db2.gz QEZZJWUEJZTYTN-CYBMUJFWSA-N 2 2 334.489 3.011 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000479080048 459121408 /nfs/dbraw/zinc/12/14/08/459121408.db2.gz NEIQQMIVQXZKMP-VQIMIIECSA-N 2 2 340.458 3.344 20 0 EGADLP Cc1[nH+]cc(CNc2cccc(C[N@H+](C)Cc3cscn3)c2)n1C ZINC000578084258 459144356 /nfs/dbraw/zinc/14/43/56/459144356.db2.gz UKUANGGBEBEADX-UHFFFAOYSA-N 2 2 341.484 3.429 20 0 EGADLP Cc1[nH+]cc(CNc2cccc(C[N@@H+](C)Cc3cscn3)c2)n1C ZINC000578084258 459144360 /nfs/dbraw/zinc/14/43/60/459144360.db2.gz UKUANGGBEBEADX-UHFFFAOYSA-N 2 2 341.484 3.429 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567723922 459154521 /nfs/dbraw/zinc/15/45/21/459154521.db2.gz BSQGLWLNKDCVKH-RYGJVYDSSA-N 2 2 345.918 3.491 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567723922 459154527 /nfs/dbraw/zinc/15/45/27/459154527.db2.gz BSQGLWLNKDCVKH-RYGJVYDSSA-N 2 2 345.918 3.491 20 0 EGADLP C[N@H+](Cc1cc(Br)cc2cccnc21)C1(C[NH3+])CCC1 ZINC000578196921 459159716 /nfs/dbraw/zinc/15/97/16/459159716.db2.gz XVEWWSFPPBJNAG-UHFFFAOYSA-N 2 2 334.261 3.311 20 0 EGADLP C[N@@H+](Cc1cc(Br)cc2cccnc21)C1(C[NH3+])CCC1 ZINC000578196921 459159721 /nfs/dbraw/zinc/15/97/21/459159721.db2.gz XVEWWSFPPBJNAG-UHFFFAOYSA-N 2 2 334.261 3.311 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000578322823 459182122 /nfs/dbraw/zinc/18/21/22/459182122.db2.gz MXWMZXUDAAFPLF-OALUTQOASA-N 2 2 332.488 3.338 20 0 EGADLP CCOCc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000578322823 459182130 /nfs/dbraw/zinc/18/21/30/459182130.db2.gz MXWMZXUDAAFPLF-OALUTQOASA-N 2 2 332.488 3.338 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496412884 459183231 /nfs/dbraw/zinc/18/32/31/459183231.db2.gz COCLFNSXRZPYTO-GOSISDBHSA-N 2 2 331.460 3.066 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496412884 459183235 /nfs/dbraw/zinc/18/32/35/459183235.db2.gz COCLFNSXRZPYTO-GOSISDBHSA-N 2 2 331.460 3.066 20 0 EGADLP Cc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000480582240 459206891 /nfs/dbraw/zinc/20/68/91/459206891.db2.gz PKBXDYLKDFOOLN-KDURUIRLSA-N 2 2 348.494 3.232 20 0 EGADLP Cc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000480582240 459206895 /nfs/dbraw/zinc/20/68/95/459206895.db2.gz PKBXDYLKDFOOLN-KDURUIRLSA-N 2 2 348.494 3.232 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCNc1cccc[nH+]1)O[C@@H](C)C2 ZINC000578596607 459226188 /nfs/dbraw/zinc/22/61/88/459226188.db2.gz JIUZBFTZLARUOQ-AWEZNQCLSA-N 2 2 327.428 3.005 20 0 EGADLP CC[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000481313562 459244798 /nfs/dbraw/zinc/24/47/98/459244798.db2.gz OAAQESBZGJYALZ-OAQYLSRUSA-N 2 2 329.532 3.363 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082563 459309056 /nfs/dbraw/zinc/30/90/56/459309056.db2.gz POOFJFKCBORHDH-WMLDXEAASA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082563 459309058 /nfs/dbraw/zinc/30/90/58/459309058.db2.gz POOFJFKCBORHDH-WMLDXEAASA-N 2 2 346.862 3.051 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083102 459309686 /nfs/dbraw/zinc/30/96/86/459309686.db2.gz OEXTZRWZJFADTP-HUUCEWRRSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083102 459309692 /nfs/dbraw/zinc/30/96/92/459309692.db2.gz OEXTZRWZJFADTP-HUUCEWRRSA-N 2 2 346.862 3.051 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901180 459364562 /nfs/dbraw/zinc/36/45/62/459364562.db2.gz OMVSQQKAAUBDKL-ARFHVFGLSA-N 2 2 329.410 3.168 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000560528451 459365980 /nfs/dbraw/zinc/36/59/80/459365980.db2.gz GDXDOTOGTVBXQB-KMFTYDHNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000560528451 459365987 /nfs/dbraw/zinc/36/59/87/459365987.db2.gz GDXDOTOGTVBXQB-KMFTYDHNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528451 459365995 /nfs/dbraw/zinc/36/59/95/459365995.db2.gz GDXDOTOGTVBXQB-KMFTYDHNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528451 459366002 /nfs/dbraw/zinc/36/60/02/459366002.db2.gz GDXDOTOGTVBXQB-KMFTYDHNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514553 459377751 /nfs/dbraw/zinc/37/77/51/459377751.db2.gz QWMZRUJVODXQIZ-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514553 459377758 /nfs/dbraw/zinc/37/77/58/459377758.db2.gz QWMZRUJVODXQIZ-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)cc1Br ZINC000582514553 459377763 /nfs/dbraw/zinc/37/77/63/459377763.db2.gz QWMZRUJVODXQIZ-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)cc1Br ZINC000582514553 459377768 /nfs/dbraw/zinc/37/77/68/459377768.db2.gz QWMZRUJVODXQIZ-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017623 459383004 /nfs/dbraw/zinc/38/30/04/459383004.db2.gz NYBYUGKJERBOFG-HXUWFJFHSA-N 2 2 342.483 3.010 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017623 459383007 /nfs/dbraw/zinc/38/30/07/459383007.db2.gz NYBYUGKJERBOFG-HXUWFJFHSA-N 2 2 342.483 3.010 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017623 459383008 /nfs/dbraw/zinc/38/30/08/459383008.db2.gz NYBYUGKJERBOFG-HXUWFJFHSA-N 2 2 342.483 3.010 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017623 459383013 /nfs/dbraw/zinc/38/30/13/459383013.db2.gz NYBYUGKJERBOFG-HXUWFJFHSA-N 2 2 342.483 3.010 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000496991505 459397760 /nfs/dbraw/zinc/39/77/60/459397760.db2.gz BKAMNHMTPHWOKI-OAGGEKHMSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000496991505 459397761 /nfs/dbraw/zinc/39/77/61/459397761.db2.gz BKAMNHMTPHWOKI-OAGGEKHMSA-N 2 2 339.524 3.094 20 0 EGADLP OC[C@@H](C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053846 459416024 /nfs/dbraw/zinc/41/60/24/459416024.db2.gz YZWJAMOCWMIENF-NHCUHLMSSA-N 2 2 330.516 3.082 20 0 EGADLP OC[C@@H](C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053846 459416027 /nfs/dbraw/zinc/41/60/27/459416027.db2.gz YZWJAMOCWMIENF-NHCUHLMSSA-N 2 2 330.516 3.082 20 0 EGADLP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582858500 459440572 /nfs/dbraw/zinc/44/05/72/459440572.db2.gz GUZSNGBEZLMJSR-BEFAXECRSA-N 2 2 336.907 3.445 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000569447575 459453647 /nfs/dbraw/zinc/45/36/47/459453647.db2.gz BFPOOTMBTHQKQY-BEFAXECRSA-N 2 2 329.488 3.436 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867251 459458109 /nfs/dbraw/zinc/45/81/09/459458109.db2.gz NJXCOIMEYGDPLA-HNNXBMFYSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867251 459458114 /nfs/dbraw/zinc/45/81/14/459458114.db2.gz NJXCOIMEYGDPLA-HNNXBMFYSA-N 2 2 332.835 3.121 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000569768544 459505518 /nfs/dbraw/zinc/50/55/18/459505518.db2.gz IJDZYGRSVKOJEX-STZQEDGTSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000569768544 459505524 /nfs/dbraw/zinc/50/55/24/459505524.db2.gz IJDZYGRSVKOJEX-STZQEDGTSA-N 2 2 338.495 3.090 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000569791275 459510253 /nfs/dbraw/zinc/51/02/53/459510253.db2.gz JHRDXARWAJASKF-OXJNMPFZSA-N 2 2 337.467 3.189 20 0 EGADLP COC(=O)C(C)(C)[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000592097215 459524840 /nfs/dbraw/zinc/52/48/40/459524840.db2.gz HEWKSJOGRXSMJE-GOSISDBHSA-N 2 2 326.440 3.463 20 0 EGADLP CC[C@H](C)[C@@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542167987 459531252 /nfs/dbraw/zinc/53/12/52/459531252.db2.gz GIICEKROYABFLS-LSDHHAIUSA-N 2 2 330.476 3.284 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000583638695 459573736 /nfs/dbraw/zinc/57/37/36/459573736.db2.gz GWNBJIJDWBXGRB-OAHLLOKOSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000583638695 459573737 /nfs/dbraw/zinc/57/37/37/459573737.db2.gz GWNBJIJDWBXGRB-OAHLLOKOSA-N 2 2 326.375 3.204 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000583807997 459599985 /nfs/dbraw/zinc/59/99/85/459599985.db2.gz MTHURKUEVSNDSE-INIZCTEOSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000583807997 459599990 /nfs/dbraw/zinc/59/99/90/459599990.db2.gz MTHURKUEVSNDSE-INIZCTEOSA-N 2 2 333.451 3.069 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000562777972 459645795 /nfs/dbraw/zinc/64/57/95/459645795.db2.gz BFJRGIFUTQSTMG-QRWLVFNGSA-N 2 2 339.414 3.266 20 0 EGADLP Clc1cnc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000527637563 459679919 /nfs/dbraw/zinc/67/99/19/459679919.db2.gz MISZOFYMJMILGL-SNVBAGLBSA-N 2 2 344.684 3.071 20 0 EGADLP Clc1cnc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000527637563 459679928 /nfs/dbraw/zinc/67/99/28/459679928.db2.gz MISZOFYMJMILGL-SNVBAGLBSA-N 2 2 344.684 3.071 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527638596 459680916 /nfs/dbraw/zinc/68/09/16/459680916.db2.gz XQLBRUNTDCJMGO-SECBINFHSA-N 2 2 330.176 3.102 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527648509 459684052 /nfs/dbraw/zinc/68/40/52/459684052.db2.gz GJPWAULEIQBRQJ-UHFFFAOYSA-N 2 2 344.272 3.337 20 0 EGADLP Cc1c2cc(Cl)ccc2sc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000563003229 459692662 /nfs/dbraw/zinc/69/26/62/459692662.db2.gz QAMLSBZKSDSECF-CQSZACIVSA-N 2 2 338.904 3.408 20 0 EGADLP Cc1c2cc(Cl)ccc2sc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000563003229 459692666 /nfs/dbraw/zinc/69/26/66/459692666.db2.gz QAMLSBZKSDSECF-CQSZACIVSA-N 2 2 338.904 3.408 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527680563 459697996 /nfs/dbraw/zinc/69/79/96/459697996.db2.gz CKJWGEPUWARFAM-OAHLLOKOSA-N 2 2 347.532 3.001 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527680563 459697998 /nfs/dbraw/zinc/69/79/98/459697998.db2.gz CKJWGEPUWARFAM-OAHLLOKOSA-N 2 2 347.532 3.001 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000563095391 459715641 /nfs/dbraw/zinc/71/56/41/459715641.db2.gz RDBMKAKJBGFGLT-INIZCTEOSA-N 2 2 342.487 3.091 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c[nH+]1 ZINC000573776087 459731752 /nfs/dbraw/zinc/73/17/52/459731752.db2.gz MWJZKZCUBPWPQJ-IBGZPJMESA-N 2 2 344.503 3.295 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c[nH+]1 ZINC000573776087 459731759 /nfs/dbraw/zinc/73/17/59/459731759.db2.gz MWJZKZCUBPWPQJ-IBGZPJMESA-N 2 2 344.503 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214695 459740216 /nfs/dbraw/zinc/74/02/16/459740216.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214695 459740220 /nfs/dbraw/zinc/74/02/20/459740220.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[NH+](C)CC[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214695 459740227 /nfs/dbraw/zinc/74/02/27/459740227.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[NH+](C)CC[C@H]3CCC[N@H+]3C)C2)s1 ZINC000563214695 459740231 /nfs/dbraw/zinc/74/02/31/459740231.db2.gz CVRKRXICARLHIW-QZTJIDSGSA-N 3 2 335.561 3.295 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)n1cc[nH+]c1 ZINC000563222409 459742653 /nfs/dbraw/zinc/74/26/53/459742653.db2.gz KDCGOEPMUISPCQ-OAHLLOKOSA-N 2 2 344.484 3.022 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160759 459805144 /nfs/dbraw/zinc/80/51/44/459805144.db2.gz BAJAGXKTGYGNLD-LKFCYVNXSA-N 2 2 337.678 3.364 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1F ZINC000585810833 459854076 /nfs/dbraw/zinc/85/40/76/459854076.db2.gz LAEPEZNDKKESCB-QGZVFWFLSA-N 2 2 341.430 3.018 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1F ZINC000585810833 459854086 /nfs/dbraw/zinc/85/40/86/459854086.db2.gz LAEPEZNDKKESCB-QGZVFWFLSA-N 2 2 341.430 3.018 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866533 459864345 /nfs/dbraw/zinc/86/43/45/459864345.db2.gz APMSVXUETFCOFQ-RBUKOAKNSA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866533 459864350 /nfs/dbraw/zinc/86/43/50/459864350.db2.gz APMSVXUETFCOFQ-RBUKOAKNSA-N 2 2 348.849 3.225 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)ccc2n1C1CC1 ZINC000575175793 459941601 /nfs/dbraw/zinc/94/16/01/459941601.db2.gz RUHKOAGKVYCZPT-MRXNPFEDSA-N 2 2 341.377 3.337 20 0 EGADLP COC(=O)c1csc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000602503897 459972834 /nfs/dbraw/zinc/97/28/34/459972834.db2.gz OCZIMQIZAZJFHF-UHFFFAOYSA-N 2 2 344.480 3.289 20 0 EGADLP COC(=O)c1csc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000602592402 460014608 /nfs/dbraw/zinc/01/46/08/460014608.db2.gz DVLLSUOSHJESJU-UHFFFAOYSA-N 2 2 343.452 3.144 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000575860078 460018643 /nfs/dbraw/zinc/01/86/43/460018643.db2.gz JCKDOZOOXVSKNB-KSSFIOAISA-N 2 2 344.484 3.007 20 0 EGADLP CCOc1cncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000621715875 460019970 /nfs/dbraw/zinc/01/99/70/460019970.db2.gz JKARZYLWDBABOH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000621715875 460019974 /nfs/dbraw/zinc/01/99/74/460019974.db2.gz JKARZYLWDBABOH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621715875 460019983 /nfs/dbraw/zinc/01/99/83/460019983.db2.gz JKARZYLWDBABOH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621715875 460019992 /nfs/dbraw/zinc/01/99/92/460019992.db2.gz JKARZYLWDBABOH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000597752351 460045991 /nfs/dbraw/zinc/04/59/91/460045991.db2.gz ZLUHGQBKKQCEBQ-LJQANCHMSA-N 2 2 348.450 3.291 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784081 460060951 /nfs/dbraw/zinc/06/09/51/460060951.db2.gz JMYPRQKROGLPCR-KXBFYZLASA-N 2 2 342.874 3.419 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784081 460060960 /nfs/dbraw/zinc/06/09/60/460060960.db2.gz JMYPRQKROGLPCR-KXBFYZLASA-N 2 2 342.874 3.419 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000576289559 460109653 /nfs/dbraw/zinc/10/96/53/460109653.db2.gz ILPLDWACOJIWJZ-GHTZIAJQSA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000576289559 460109657 /nfs/dbraw/zinc/10/96/57/460109657.db2.gz ILPLDWACOJIWJZ-GHTZIAJQSA-N 2 2 346.515 3.338 20 0 EGADLP CCc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000597933540 460116640 /nfs/dbraw/zinc/11/66/40/460116640.db2.gz KNGYPPRSPZLXON-KRWDZBQOSA-N 2 2 325.460 3.068 20 0 EGADLP COC(=O)CC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000599025012 460131325 /nfs/dbraw/zinc/13/13/25/460131325.db2.gz WSGIYQSXFTYTLM-UHFFFAOYSA-N 2 2 345.418 3.223 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000599026835 460132187 /nfs/dbraw/zinc/13/21/87/460132187.db2.gz HKQIAPMHTCXRGS-LRYGQEGESA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000599026835 460132191 /nfs/dbraw/zinc/13/21/91/460132191.db2.gz HKQIAPMHTCXRGS-LRYGQEGESA-N 2 2 332.488 3.218 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005131 460158797 /nfs/dbraw/zinc/15/87/97/460158797.db2.gz YUCMVGOFWFQJGL-LIRRHRJNSA-N 2 2 346.425 3.081 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622005131 460158802 /nfs/dbraw/zinc/15/88/02/460158802.db2.gz YUCMVGOFWFQJGL-LIRRHRJNSA-N 2 2 346.425 3.081 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000599395097 460245934 /nfs/dbraw/zinc/24/59/34/460245934.db2.gz RVRJMOHQEKJBSR-GOSISDBHSA-N 2 2 340.471 3.478 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000599395097 460245937 /nfs/dbraw/zinc/24/59/37/460245937.db2.gz RVRJMOHQEKJBSR-GOSISDBHSA-N 2 2 340.471 3.478 20 0 EGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517307 460315411 /nfs/dbraw/zinc/31/54/11/460315411.db2.gz OHGWEIFVIGWTLQ-KRWDZBQOSA-N 2 2 338.879 3.082 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740924 460338522 /nfs/dbraw/zinc/33/85/22/460338522.db2.gz XUXUEDMPSCTFRB-CEXWTWQISA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740924 460338525 /nfs/dbraw/zinc/33/85/25/460338525.db2.gz XUXUEDMPSCTFRB-CEXWTWQISA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740924 460338530 /nfs/dbraw/zinc/33/85/30/460338530.db2.gz XUXUEDMPSCTFRB-CEXWTWQISA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740924 460338533 /nfs/dbraw/zinc/33/85/33/460338533.db2.gz XUXUEDMPSCTFRB-CEXWTWQISA-N 2 2 344.499 3.413 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)C2 ZINC000615559063 460346790 /nfs/dbraw/zinc/34/67/90/460346790.db2.gz CSPOUHTUMXQVKI-AWEZNQCLSA-N 2 2 349.438 3.076 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)CC2 ZINC000615559063 460346795 /nfs/dbraw/zinc/34/67/95/460346795.db2.gz CSPOUHTUMXQVKI-AWEZNQCLSA-N 2 2 349.438 3.076 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000626089302 460367444 /nfs/dbraw/zinc/36/74/44/460367444.db2.gz KJQBNZRQYQJHLM-PMACEKPBSA-N 2 2 328.500 3.367 20 0 EGADLP CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(C)c1 ZINC000628452690 460416989 /nfs/dbraw/zinc/41/69/89/460416989.db2.gz HKKWVYBXRJWLAC-UHFFFAOYSA-N 2 2 332.488 3.080 20 0 EGADLP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000604758743 460472140 /nfs/dbraw/zinc/47/21/40/460472140.db2.gz RWFOMRZONWEJRF-SFHVURJKSA-N 2 2 336.483 3.408 20 0 EGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000604758743 460472147 /nfs/dbraw/zinc/47/21/47/460472147.db2.gz RWFOMRZONWEJRF-SFHVURJKSA-N 2 2 336.483 3.408 20 0 EGADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000631631656 460480735 /nfs/dbraw/zinc/48/07/35/460480735.db2.gz JCYKUTYATJXDLG-GOSISDBHSA-N 2 2 338.495 3.331 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cn21 ZINC000631642732 460485142 /nfs/dbraw/zinc/48/51/42/460485142.db2.gz RRNJKLKBIRQGTO-UHOSZYNNSA-N 2 2 325.456 3.123 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ncc1Br ZINC000623363333 460511447 /nfs/dbraw/zinc/51/14/47/460511447.db2.gz OBWQIBVIJGZSAS-UHFFFAOYSA-N 2 2 338.293 3.117 20 0 EGADLP C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000628750847 460526911 /nfs/dbraw/zinc/52/69/11/460526911.db2.gz ONRFTTKWFLTGRS-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCCC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000628750847 460526916 /nfs/dbraw/zinc/52/69/16/460526916.db2.gz ONRFTTKWFLTGRS-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000623867329 460752851 /nfs/dbraw/zinc/75/28/51/460752851.db2.gz YJBZJACBQKJDDX-INIZCTEOSA-N 2 2 328.485 3.170 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000623871638 460754305 /nfs/dbraw/zinc/75/43/05/460754305.db2.gz JJMOTKGDJOUKJC-TZMCWYRMSA-N 2 2 348.384 3.342 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000629653214 460847119 /nfs/dbraw/zinc/84/71/19/460847119.db2.gz CZKTVFTYRZTDIA-GXTWGEPZSA-N 2 2 340.393 3.015 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000629653214 460847125 /nfs/dbraw/zinc/84/71/25/460847125.db2.gz CZKTVFTYRZTDIA-GXTWGEPZSA-N 2 2 340.393 3.015 20 0 EGADLP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676444 460861973 /nfs/dbraw/zinc/86/19/73/460861973.db2.gz UOWRADCPHDFRFU-WFASDCNBSA-N 2 2 334.851 3.211 20 0 EGADLP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676444 460861980 /nfs/dbraw/zinc/86/19/80/460861980.db2.gz UOWRADCPHDFRFU-WFASDCNBSA-N 2 2 334.851 3.211 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000635882624 460961904 /nfs/dbraw/zinc/96/19/04/460961904.db2.gz YPIWEGXJGJYBFP-KRWDZBQOSA-N 2 2 335.879 3.357 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000635882624 460961908 /nfs/dbraw/zinc/96/19/08/460961908.db2.gz YPIWEGXJGJYBFP-KRWDZBQOSA-N 2 2 335.879 3.357 20 0 EGADLP Cn1c2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc2[nH+]c1C1CC1 ZINC000635904699 460970669 /nfs/dbraw/zinc/97/06/69/460970669.db2.gz KYQSORJITPZPPK-UHFFFAOYSA-N 2 2 342.487 3.045 20 0 EGADLP Cn1c2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc2[nH+]c1C1CC1 ZINC000635904699 460970673 /nfs/dbraw/zinc/97/06/73/460970673.db2.gz KYQSORJITPZPPK-UHFFFAOYSA-N 2 2 342.487 3.045 20 0 EGADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CC[N@@H+]1C ZINC000633157724 460979118 /nfs/dbraw/zinc/97/91/18/460979118.db2.gz CIUXLIYUFFSJKV-ZWKOTPCHSA-N 2 2 326.444 3.158 20 0 EGADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CC[N@H+]1C ZINC000633157724 460979124 /nfs/dbraw/zinc/97/91/24/460979124.db2.gz CIUXLIYUFFSJKV-ZWKOTPCHSA-N 2 2 326.444 3.158 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183146 461036455 /nfs/dbraw/zinc/03/64/55/461036455.db2.gz RVWVCTPRTXVWNY-ZFWWWQNUSA-N 2 2 325.447 3.335 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183146 461036458 /nfs/dbraw/zinc/03/64/58/461036458.db2.gz RVWVCTPRTXVWNY-ZFWWWQNUSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183146 461036462 /nfs/dbraw/zinc/03/64/62/461036462.db2.gz RVWVCTPRTXVWNY-ZFWWWQNUSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183146 461036466 /nfs/dbraw/zinc/03/64/66/461036466.db2.gz RVWVCTPRTXVWNY-ZFWWWQNUSA-N 2 2 325.447 3.335 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc(C4CC4)o3)[nH+]c2)CC1 ZINC000628229066 461054026 /nfs/dbraw/zinc/05/40/26/461054026.db2.gz IWSSINIVXRUTKV-UHFFFAOYSA-N 2 2 341.459 3.090 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ncc1Br ZINC000628281431 461071489 /nfs/dbraw/zinc/07/14/89/461071489.db2.gz YWBOFJMABCSXEO-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ncc1Br ZINC000628281431 461071490 /nfs/dbraw/zinc/07/14/90/461071490.db2.gz YWBOFJMABCSXEO-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ncc1Br ZINC000628281431 461071492 /nfs/dbraw/zinc/07/14/92/461071492.db2.gz YWBOFJMABCSXEO-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ncc1Br ZINC000628281431 461071493 /nfs/dbraw/zinc/07/14/93/461071493.db2.gz YWBOFJMABCSXEO-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Brc1c2ccccc2oc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662273890 461161245 /nfs/dbraw/zinc/16/12/45/461161245.db2.gz QJPSAOXXLKCCHN-WCQYABFASA-N 2 2 335.245 3.379 20 0 EGADLP Brc1c2ccccc2oc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662273890 461161250 /nfs/dbraw/zinc/16/12/50/461161250.db2.gz QJPSAOXXLKCCHN-WCQYABFASA-N 2 2 335.245 3.379 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662289987 461168345 /nfs/dbraw/zinc/16/83/45/461168345.db2.gz CMJTZZMDSREBGI-INIZCTEOSA-N 2 2 349.906 3.299 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000649574460 461187262 /nfs/dbraw/zinc/18/72/62/461187262.db2.gz LOESRDMFXJJRAJ-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000649574460 461187268 /nfs/dbraw/zinc/18/72/68/461187268.db2.gz LOESRDMFXJJRAJ-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP CC(C)CC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000638050784 461214472 /nfs/dbraw/zinc/21/44/72/461214472.db2.gz RQIKYUOXKNZSTL-ZFWWWQNUSA-N 2 2 338.521 3.077 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104267 461240107 /nfs/dbraw/zinc/24/01/07/461240107.db2.gz FXKBWENUSJMPJC-INIZCTEOSA-N 2 2 336.451 3.293 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000638104267 461240114 /nfs/dbraw/zinc/24/01/14/461240114.db2.gz FXKBWENUSJMPJC-INIZCTEOSA-N 2 2 336.451 3.293 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000638186219 461297926 /nfs/dbraw/zinc/29/79/26/461297926.db2.gz OESSFNMZXBXGJU-SXLOBPIMSA-N 2 2 341.499 3.116 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)CCCC2 ZINC000655682835 461360053 /nfs/dbraw/zinc/36/00/53/461360053.db2.gz LMGIXDCQWYWFQE-IERDGZPVSA-N 2 2 328.500 3.469 20 0 EGADLP c1ccc(OC2CCCC2)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655695128 461367836 /nfs/dbraw/zinc/36/78/36/461367836.db2.gz RIGXKSVQBTZCDD-IBGZPJMESA-N 2 2 344.499 3.351 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638324702 461368398 /nfs/dbraw/zinc/36/83/98/461368398.db2.gz UIUNYCMFOLQVEN-TZIWHRDSSA-N 2 2 349.478 3.243 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638324702 461368407 /nfs/dbraw/zinc/36/84/07/461368407.db2.gz UIUNYCMFOLQVEN-TZIWHRDSSA-N 2 2 349.478 3.243 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655704129 461375493 /nfs/dbraw/zinc/37/54/93/461375493.db2.gz QIPOAXQMNCNPEM-LPHOPBHVSA-N 2 2 332.488 3.379 20 0 EGADLP CO[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000638345609 461377828 /nfs/dbraw/zinc/37/78/28/461377828.db2.gz WWXAQHURAACCBX-OAQYLSRUSA-N 2 2 335.451 3.279 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cs2)c(OC)c1 ZINC000641802050 461379812 /nfs/dbraw/zinc/37/98/12/461379812.db2.gz HHOZFROTZYNSOD-HOTGVXAUSA-N 2 2 347.484 3.043 20 0 EGADLP COCC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655711052 461380309 /nfs/dbraw/zinc/38/03/09/461380309.db2.gz DDWBCGNJFRKJFF-UHFFFAOYSA-N 2 2 347.528 3.485 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655711052 461380317 /nfs/dbraw/zinc/38/03/17/461380317.db2.gz DDWBCGNJFRKJFF-UHFFFAOYSA-N 2 2 347.528 3.485 20 0 EGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719595 461389937 /nfs/dbraw/zinc/38/99/37/461389937.db2.gz XHMCEGNBUWLXIV-WOJBJXKFSA-N 2 2 334.479 3.236 20 0 EGADLP CC(C)[NH+]1CCN(c2cccc(N[C@H]3CCCn4cc[nH+]c43)c2)CC1 ZINC000655748789 461416530 /nfs/dbraw/zinc/41/65/30/461416530.db2.gz JGSVVEPNLPWWRR-IBGZPJMESA-N 2 2 339.487 3.361 20 0 EGADLP Fc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771607 461435582 /nfs/dbraw/zinc/43/55/82/461435582.db2.gz NQIVCQIUYLYICM-IBGZPJMESA-N 2 2 332.463 3.436 20 0 EGADLP Clc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655771321 461435934 /nfs/dbraw/zinc/43/59/34/461435934.db2.gz HREXODKLUAMBBK-XIRDDKMYSA-N 2 2 334.891 3.429 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521586 461467445 /nfs/dbraw/zinc/46/74/45/461467445.db2.gz BYGAQHSJMQFDQZ-VQTJNVASSA-N 2 2 338.536 3.062 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521586 461467454 /nfs/dbraw/zinc/46/74/54/461467454.db2.gz BYGAQHSJMQFDQZ-VQTJNVASSA-N 2 2 338.536 3.062 20 0 EGADLP CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061653 461481025 /nfs/dbraw/zinc/48/10/25/461481025.db2.gz XQRSXSCLTMZPTD-ZYSHUDEJSA-N 2 2 333.520 3.292 20 0 EGADLP CC(C)CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653072623 461488102 /nfs/dbraw/zinc/48/81/02/461488102.db2.gz YDRGLLLRPUZIOO-IRXDYDNUSA-N 2 2 339.911 3.213 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638588445 461495032 /nfs/dbraw/zinc/49/50/32/461495032.db2.gz LQCSFBUHBHHWIQ-NSHDSACASA-N 2 2 338.249 3.022 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638588445 461495039 /nfs/dbraw/zinc/49/50/39/461495039.db2.gz LQCSFBUHBHHWIQ-NSHDSACASA-N 2 2 338.249 3.022 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1NC(C)=O ZINC000655849821 461495700 /nfs/dbraw/zinc/49/57/00/461495700.db2.gz ZAMCSBKOAKCHKN-FNHZYXHNSA-N 2 2 345.487 3.321 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1NC(C)=O ZINC000655849821 461495708 /nfs/dbraw/zinc/49/57/08/461495708.db2.gz ZAMCSBKOAKCHKN-FNHZYXHNSA-N 2 2 345.487 3.321 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848729 461496315 /nfs/dbraw/zinc/49/63/15/461496315.db2.gz KAJPTBKKAQJMEI-IOMROCGXSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848729 461496318 /nfs/dbraw/zinc/49/63/18/461496318.db2.gz KAJPTBKKAQJMEI-IOMROCGXSA-N 2 2 343.515 3.191 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000653095079 461498571 /nfs/dbraw/zinc/49/85/71/461498571.db2.gz ZFLXCVCWZNFHLN-CVEARBPZSA-N 2 2 339.911 3.213 20 0 EGADLP C(CC1CCOCC1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000638594069 461498865 /nfs/dbraw/zinc/49/88/65/461498865.db2.gz CNSFECDFHMKVPW-UHFFFAOYSA-N 2 2 326.550 3.144 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000638670280 461525256 /nfs/dbraw/zinc/52/52/56/461525256.db2.gz DEPBNSAYLLODLG-UHFFFAOYSA-N 2 2 325.412 3.498 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000638670280 461525264 /nfs/dbraw/zinc/52/52/64/461525264.db2.gz DEPBNSAYLLODLG-UHFFFAOYSA-N 2 2 325.412 3.498 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[N@H+](C)Cc2ccccc2)o1 ZINC000647174804 461545091 /nfs/dbraw/zinc/54/50/91/461545091.db2.gz MVWLAWNYYWCPBX-UHFFFAOYSA-N 2 2 338.455 3.210 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[N@@H+](C)Cc2ccccc2)o1 ZINC000647174804 461545104 /nfs/dbraw/zinc/54/51/04/461545104.db2.gz MVWLAWNYYWCPBX-UHFFFAOYSA-N 2 2 338.455 3.210 20 0 EGADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343920 461572125 /nfs/dbraw/zinc/57/21/25/461572125.db2.gz JXEWAHGFKCXJTA-IBGZPJMESA-N 2 2 339.483 3.477 20 0 EGADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343920 461572130 /nfs/dbraw/zinc/57/21/30/461572130.db2.gz JXEWAHGFKCXJTA-IBGZPJMESA-N 2 2 339.483 3.477 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000638804505 461588481 /nfs/dbraw/zinc/58/84/81/461588481.db2.gz MPNMDRZDGDQASB-XIRDDKMYSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000638804505 461588490 /nfs/dbraw/zinc/58/84/90/461588490.db2.gz MPNMDRZDGDQASB-XIRDDKMYSA-N 2 2 342.405 3.257 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000638823511 461599813 /nfs/dbraw/zinc/59/98/13/461599813.db2.gz UGYVAEWONRDUCI-QILLFSRXSA-N 2 2 339.487 3.386 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000638823511 461599821 /nfs/dbraw/zinc/59/98/21/461599821.db2.gz UGYVAEWONRDUCI-QILLFSRXSA-N 2 2 339.487 3.386 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000631182813 461621211 /nfs/dbraw/zinc/62/12/11/461621211.db2.gz VQDFFUUZHUHFOV-LJQANCHMSA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000631182813 461621218 /nfs/dbraw/zinc/62/12/18/461621218.db2.gz VQDFFUUZHUHFOV-LJQANCHMSA-N 2 2 343.515 3.271 20 0 EGADLP Cc1[nH]c(CN[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000631189837 461628004 /nfs/dbraw/zinc/62/80/04/461628004.db2.gz CVZIZQRDRPNZRX-HNNXBMFYSA-N 2 2 340.393 3.438 20 0 EGADLP Clc1cccc(Cl)c1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000656201377 461646415 /nfs/dbraw/zinc/64/64/15/461646415.db2.gz WPDIGHNQXAJEKX-DLBZAZTESA-N 2 2 343.298 3.283 20 0 EGADLP O=C(c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925512 461649713 /nfs/dbraw/zinc/64/97/13/461649713.db2.gz PGRRHJIXOIVACX-OKILXGFUSA-N 2 2 343.814 3.104 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000638938400 461653572 /nfs/dbraw/zinc/65/35/72/461653572.db2.gz XPLGZFVXFPKIHF-YPMHNXCESA-N 2 2 331.803 3.089 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC(O)(C(F)(F)F)CC3)cn21 ZINC000647364882 461659072 /nfs/dbraw/zinc/65/90/72/461659072.db2.gz PXIXZSYNADCUBG-UHFFFAOYSA-N 2 2 341.377 3.011 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc4[nH]c(=O)oc4c3)cn21 ZINC000647364111 461659764 /nfs/dbraw/zinc/65/97/64/461659764.db2.gz RYHVIDHTACNFDS-ZDUSSCGKSA-N 2 2 336.395 3.383 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470638 461660590 /nfs/dbraw/zinc/66/05/90/461660590.db2.gz VVLDWRCNXIKSPA-DOTOQJQBSA-N 2 2 326.488 3.346 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470638 461660592 /nfs/dbraw/zinc/66/05/92/461660592.db2.gz VVLDWRCNXIKSPA-DOTOQJQBSA-N 2 2 326.488 3.346 20 0 EGADLP Cc1ncc([C@H](C)[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082198 461716030 /nfs/dbraw/zinc/71/60/30/461716030.db2.gz XVVRXYSFIOZWKI-QFBILLFUSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082198 461716035 /nfs/dbraw/zinc/71/60/35/461716035.db2.gz XVVRXYSFIOZWKI-QFBILLFUSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@H](C)[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082198 461716037 /nfs/dbraw/zinc/71/60/37/461716037.db2.gz XVVRXYSFIOZWKI-QFBILLFUSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@H](C)[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082198 461716039 /nfs/dbraw/zinc/71/60/39/461716039.db2.gz XVVRXYSFIOZWKI-QFBILLFUSA-N 2 2 339.487 3.003 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000637800519 461723572 /nfs/dbraw/zinc/72/35/72/461723572.db2.gz FELJOERLQOMHQV-GOSISDBHSA-N 2 2 343.858 3.402 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000637800519 461723576 /nfs/dbraw/zinc/72/35/76/461723576.db2.gz FELJOERLQOMHQV-GOSISDBHSA-N 2 2 343.858 3.402 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501757 461746181 /nfs/dbraw/zinc/74/61/81/461746181.db2.gz PIKKSPRMSMDSAR-IAQYHMDHSA-N 2 2 327.241 3.307 20 0 EGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537866 461758572 /nfs/dbraw/zinc/75/85/72/461758572.db2.gz SMIYAUMPKSLDBY-KCXAZCMYSA-N 2 2 333.476 3.393 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cccs2)CC1 ZINC000647550491 461763011 /nfs/dbraw/zinc/76/30/11/461763011.db2.gz UDRYCMOMMOPDTQ-INDMIFKZSA-N 3 2 347.572 3.499 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1 ZINC000656503604 461769034 /nfs/dbraw/zinc/76/90/34/461769034.db2.gz PQKKSMWCBKYJND-FQEVSTJZSA-N 2 2 332.451 3.377 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208202 461804592 /nfs/dbraw/zinc/80/45/92/461804592.db2.gz QMCPWXAISRCUGW-IBGZPJMESA-N 2 2 331.410 3.431 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208202 461804598 /nfs/dbraw/zinc/80/45/98/461804598.db2.gz QMCPWXAISRCUGW-IBGZPJMESA-N 2 2 331.410 3.431 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208202 461804604 /nfs/dbraw/zinc/80/46/04/461804604.db2.gz QMCPWXAISRCUGW-IBGZPJMESA-N 2 2 331.410 3.431 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208202 461804608 /nfs/dbraw/zinc/80/46/08/461804608.db2.gz QMCPWXAISRCUGW-IBGZPJMESA-N 2 2 331.410 3.431 20 0 EGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC([C@@H]4CCC[NH2+]C4)CC3)c21 ZINC000656609850 461805359 /nfs/dbraw/zinc/80/53/59/461805359.db2.gz YFMRAZVJKLLPJO-OAHLLOKOSA-N 2 2 335.455 3.327 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CCCCC1 ZINC000666801380 461808574 /nfs/dbraw/zinc/80/85/74/461808574.db2.gz IZCFBKCLYNNFAJ-UHFFFAOYSA-N 2 2 332.879 3.336 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000639222690 461812258 /nfs/dbraw/zinc/81/22/58/461812258.db2.gz ZRHXPGRANFMQKH-FUHWJXTLSA-N 2 2 339.487 3.386 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000639222690 461812264 /nfs/dbraw/zinc/81/22/64/461812264.db2.gz ZRHXPGRANFMQKH-FUHWJXTLSA-N 2 2 339.487 3.386 20 0 EGADLP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000660496361 461813767 /nfs/dbraw/zinc/81/37/67/461813767.db2.gz GHZWHYVDPUMBAX-CQSZACIVSA-N 2 2 335.473 3.007 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000660496361 461813775 /nfs/dbraw/zinc/81/37/75/461813775.db2.gz GHZWHYVDPUMBAX-CQSZACIVSA-N 2 2 335.473 3.007 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)on1 ZINC000660496361 461813779 /nfs/dbraw/zinc/81/37/79/461813779.db2.gz GHZWHYVDPUMBAX-CQSZACIVSA-N 2 2 335.473 3.007 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)on1 ZINC000660496361 461813784 /nfs/dbraw/zinc/81/37/84/461813784.db2.gz GHZWHYVDPUMBAX-CQSZACIVSA-N 2 2 335.473 3.007 20 0 EGADLP Brc1ccc(-c2c[nH]c(C[NH2+][C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000666856654 461838608 /nfs/dbraw/zinc/83/86/08/461838608.db2.gz WNSAWMFETBZMQL-CQSZACIVSA-N 2 2 349.276 3.071 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000669934886 461843896 /nfs/dbraw/zinc/84/38/96/461843896.db2.gz XAPNLGZRFQXAGE-YZGWKJHDSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000669934886 461843901 /nfs/dbraw/zinc/84/39/01/461843901.db2.gz XAPNLGZRFQXAGE-YZGWKJHDSA-N 2 2 343.515 3.373 20 0 EGADLP Fc1ccccc1COc1cccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000666945354 461882912 /nfs/dbraw/zinc/88/29/12/461882912.db2.gz LRMVOTFXCKWYRW-IRXDYDNUSA-N 2 2 332.394 3.194 20 0 EGADLP Cn1c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc2ccccc21 ZINC000656770588 461883164 /nfs/dbraw/zinc/88/31/64/461883164.db2.gz IIPRTXXIRWYFSD-SFHVURJKSA-N 2 2 349.482 3.326 20 0 EGADLP CC[C@H]1C[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@@H]1[NH3+] ZINC000647937414 461893696 /nfs/dbraw/zinc/89/36/96/461893696.db2.gz YJJPVEFIRHBNFS-KSSFIOAISA-N 2 2 342.462 3.059 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@@H]1[NH3+] ZINC000647937414 461893702 /nfs/dbraw/zinc/89/37/02/461893702.db2.gz YJJPVEFIRHBNFS-KSSFIOAISA-N 2 2 342.462 3.059 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936366 461894174 /nfs/dbraw/zinc/89/41/74/461894174.db2.gz CALSFXRGQAJBAP-OZOXKJRCSA-N 2 2 343.515 3.093 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936366 461894182 /nfs/dbraw/zinc/89/41/82/461894182.db2.gz CALSFXRGQAJBAP-OZOXKJRCSA-N 2 2 343.515 3.093 20 0 EGADLP CC[C@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937839 461894655 /nfs/dbraw/zinc/89/46/55/461894655.db2.gz CYDUUEAYFARUBS-PXNSSMCTSA-N 2 2 343.515 3.412 20 0 EGADLP CC[C@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937839 461894662 /nfs/dbraw/zinc/89/46/62/461894662.db2.gz CYDUUEAYFARUBS-PXNSSMCTSA-N 2 2 343.515 3.412 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647940216 461898491 /nfs/dbraw/zinc/89/84/91/461898491.db2.gz PQJVYFDAQNJVPL-APWZRJJASA-N 2 2 337.467 3.351 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647940216 461898499 /nfs/dbraw/zinc/89/84/99/461898499.db2.gz PQJVYFDAQNJVPL-APWZRJJASA-N 2 2 337.467 3.351 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655147 461905345 /nfs/dbraw/zinc/90/53/45/461905345.db2.gz KOIODGXQJDNFEW-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655147 461905354 /nfs/dbraw/zinc/90/53/54/461905354.db2.gz KOIODGXQJDNFEW-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655147 461905361 /nfs/dbraw/zinc/90/53/61/461905361.db2.gz KOIODGXQJDNFEW-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655147 461905368 /nfs/dbraw/zinc/90/53/68/461905368.db2.gz KOIODGXQJDNFEW-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718138 461909872 /nfs/dbraw/zinc/90/98/72/461909872.db2.gz ZMHVQFDVJNGWQS-JXFKEZNVSA-N 3 2 341.474 3.427 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718138 461909874 /nfs/dbraw/zinc/90/98/74/461909874.db2.gz ZMHVQFDVJNGWQS-JXFKEZNVSA-N 3 2 341.474 3.427 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647969126 461911371 /nfs/dbraw/zinc/91/13/71/461911371.db2.gz NRZZZQLKOLGDGC-GJZGRUSLSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647969126 461911376 /nfs/dbraw/zinc/91/13/76/461911376.db2.gz NRZZZQLKOLGDGC-GJZGRUSLSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647969126 461911379 /nfs/dbraw/zinc/91/13/79/461911379.db2.gz NRZZZQLKOLGDGC-GJZGRUSLSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647969126 461911383 /nfs/dbraw/zinc/91/13/83/461911383.db2.gz NRZZZQLKOLGDGC-GJZGRUSLSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(NC2CCC([NH+](C)C)CC2)c(Br)c(C)[nH+]1 ZINC000664028155 461918824 /nfs/dbraw/zinc/91/88/24/461918824.db2.gz RLUHQVAELZBDQR-UHFFFAOYSA-N 2 2 327.270 3.141 20 0 EGADLP Fc1cc(Br)cc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647990371 461927163 /nfs/dbraw/zinc/92/71/63/461927163.db2.gz RPULYOURHSSQLO-XHDPSFHLSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc(Br)cc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647990371 461927170 /nfs/dbraw/zinc/92/71/70/461927170.db2.gz RPULYOURHSSQLO-XHDPSFHLSA-N 2 2 327.241 3.335 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000660698578 461928898 /nfs/dbraw/zinc/92/88/98/461928898.db2.gz QYVBWWAABIYNBN-UHFFFAOYSA-N 2 2 326.431 3.197 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751851 461933839 /nfs/dbraw/zinc/93/38/39/461933839.db2.gz CLPVYZNLZGQQHU-KKSFZXQISA-N 3 2 341.474 3.285 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751851 461933845 /nfs/dbraw/zinc/93/38/45/461933845.db2.gz CLPVYZNLZGQQHU-KKSFZXQISA-N 3 2 341.474 3.285 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546762 461980137 /nfs/dbraw/zinc/98/01/37/461980137.db2.gz SELWVYBNCXZVHO-RTBURBONSA-N 2 2 327.472 3.005 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546762 461980142 /nfs/dbraw/zinc/98/01/42/461980142.db2.gz SELWVYBNCXZVHO-RTBURBONSA-N 2 2 327.472 3.005 20 0 EGADLP CCCCNC(=O)CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660854267 461996973 /nfs/dbraw/zinc/99/69/73/461996973.db2.gz RLTDJFOVRFXJDF-UHFFFAOYSA-N 2 2 342.487 3.124 20 0 EGADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853277 461997362 /nfs/dbraw/zinc/99/73/62/461997362.db2.gz UICHFVSVSHPPPY-OAHLLOKOSA-N 2 2 342.487 3.074 20 0 EGADLP CC(C)(C)c1nc(NCC2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000664283949 462003079 /nfs/dbraw/zinc/00/30/79/462003079.db2.gz YUOAAWWUJPJMEF-UHFFFAOYSA-N 2 2 339.487 3.493 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000644625691 462014916 /nfs/dbraw/zinc/01/49/16/462014916.db2.gz IFABIIYGCVMNAO-KRWDZBQOSA-N 2 2 336.838 3.062 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000644625691 462014921 /nfs/dbraw/zinc/01/49/21/462014921.db2.gz IFABIIYGCVMNAO-KRWDZBQOSA-N 2 2 336.838 3.062 20 0 EGADLP C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657329989 462051756 /nfs/dbraw/zinc/05/17/56/462051756.db2.gz IAUISCONKNAHQZ-GFCCVEGCSA-N 2 2 334.261 3.313 20 0 EGADLP Cc1c(C[NH+]2CCSCC2)cccc1NCc1c[nH+]c2n1CCC2 ZINC000657407896 462103704 /nfs/dbraw/zinc/10/37/04/462103704.db2.gz VSTZVKUTAYHUQX-UHFFFAOYSA-N 2 2 342.512 3.299 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000648452359 462124743 /nfs/dbraw/zinc/12/47/43/462124743.db2.gz YQGXZWQDDRTRIB-HXUWFJFHSA-N 2 2 346.515 3.454 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210989 462135486 /nfs/dbraw/zinc/13/54/86/462135486.db2.gz PRGOJEMHFBDDPL-PKOBYXMFSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210989 462135491 /nfs/dbraw/zinc/13/54/91/462135491.db2.gz PRGOJEMHFBDDPL-PKOBYXMFSA-N 2 2 326.488 3.466 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NCC[N@@H+]3CCc4sccc4C3)c2c1C ZINC000645134882 462195698 /nfs/dbraw/zinc/19/56/98/462195698.db2.gz QVKFRFTXFXIVAA-UHFFFAOYSA-N 2 2 327.457 3.106 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NCC[N@H+]3CCc4sccc4C3)c2c1C ZINC000645134882 462195701 /nfs/dbraw/zinc/19/57/01/462195701.db2.gz QVKFRFTXFXIVAA-UHFFFAOYSA-N 2 2 327.457 3.106 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664293 462197798 /nfs/dbraw/zinc/19/77/98/462197798.db2.gz HROQQEWNCCTXBY-SWLSCSKDSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664293 462197805 /nfs/dbraw/zinc/19/78/05/462197805.db2.gz HROQQEWNCCTXBY-SWLSCSKDSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664293 462197812 /nfs/dbraw/zinc/19/78/12/462197812.db2.gz HROQQEWNCCTXBY-SWLSCSKDSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664293 462197818 /nfs/dbraw/zinc/19/78/18/462197818.db2.gz HROQQEWNCCTXBY-SWLSCSKDSA-N 2 2 340.309 3.457 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667670262 462202759 /nfs/dbraw/zinc/20/27/59/462202759.db2.gz IQYVHMUBGBZQIT-OAHLLOKOSA-N 2 2 344.890 3.362 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000645156230 462206539 /nfs/dbraw/zinc/20/65/39/462206539.db2.gz DLOOECFTTKCOTA-MGPUTAFESA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000645156230 462206546 /nfs/dbraw/zinc/20/65/46/462206546.db2.gz DLOOECFTTKCOTA-MGPUTAFESA-N 2 2 343.446 3.230 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000639987676 462206953 /nfs/dbraw/zinc/20/69/53/462206953.db2.gz MVRDKWNRFGMCSB-LJQANCHMSA-N 2 2 347.547 3.260 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000639988361 462207665 /nfs/dbraw/zinc/20/76/65/462207665.db2.gz PXTZLIIOZVMAPD-IBGZPJMESA-N 2 2 343.515 3.156 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667699964 462221411 /nfs/dbraw/zinc/22/14/11/462221411.db2.gz OOPNHIGFSJJRLJ-WBMJQRKESA-N 2 2 349.276 3.432 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667699964 462221420 /nfs/dbraw/zinc/22/14/20/462221420.db2.gz OOPNHIGFSJJRLJ-WBMJQRKESA-N 2 2 349.276 3.432 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000667705287 462224070 /nfs/dbraw/zinc/22/40/70/462224070.db2.gz AJRPWEFELVAWEB-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000667705287 462224076 /nfs/dbraw/zinc/22/40/76/462224076.db2.gz AJRPWEFELVAWEB-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000667705287 462224080 /nfs/dbraw/zinc/22/40/80/462224080.db2.gz AJRPWEFELVAWEB-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000667705287 462224084 /nfs/dbraw/zinc/22/40/84/462224084.db2.gz AJRPWEFELVAWEB-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Clc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000661381853 462224690 /nfs/dbraw/zinc/22/46/90/462224690.db2.gz DXTPNJMYWMKNAD-UHFFFAOYSA-N 2 2 325.243 3.012 20 0 EGADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC2 ZINC000657693857 462232542 /nfs/dbraw/zinc/23/25/42/462232542.db2.gz PJWBEWLQWUBZKF-MRXNPFEDSA-N 2 2 328.378 3.386 20 0 EGADLP c1nc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)sc1-c1ccccc1 ZINC000657752235 462251700 /nfs/dbraw/zinc/25/17/00/462251700.db2.gz NZKPQEHTAIYRCS-KRWDZBQOSA-N 2 2 343.496 3.153 20 0 EGADLP Clc1scc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1Cl ZINC000657753483 462253584 /nfs/dbraw/zinc/25/35/84/462253584.db2.gz WRVVHVUIKLBCNB-GFCCVEGCSA-N 2 2 335.300 3.398 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3c(C)cc[nH+]c3C)C2)cc1 ZINC000640128509 462269864 /nfs/dbraw/zinc/26/98/64/462269864.db2.gz LYPARVDMDQJDAM-SFHVURJKSA-N 2 2 338.455 3.403 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3c(C)cc[nH+]c3C)C2)cc1 ZINC000640128509 462269869 /nfs/dbraw/zinc/26/98/69/462269869.db2.gz LYPARVDMDQJDAM-SFHVURJKSA-N 2 2 338.455 3.403 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000654579661 462294562 /nfs/dbraw/zinc/29/45/62/462294562.db2.gz NUYHMTBGYLYRNJ-ZDUSSCGKSA-N 2 2 347.488 3.060 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000654579661 462294566 /nfs/dbraw/zinc/29/45/66/462294566.db2.gz NUYHMTBGYLYRNJ-ZDUSSCGKSA-N 2 2 347.488 3.060 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000665253240 462370902 /nfs/dbraw/zinc/37/09/02/462370902.db2.gz LJNYTYCDWPOHGI-SFUIVIKGSA-N 2 2 338.442 3.204 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000654996309 462444593 /nfs/dbraw/zinc/44/45/93/462444593.db2.gz OWAAZZLWHQTNCN-INIZCTEOSA-N 2 2 332.835 3.042 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000654996310 462445374 /nfs/dbraw/zinc/44/53/74/462445374.db2.gz OWAAZZLWHQTNCN-MRXNPFEDSA-N 2 2 332.835 3.042 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151542 462452856 /nfs/dbraw/zinc/45/28/56/462452856.db2.gz VSSLVLFSNFRLGZ-IRXDYDNUSA-N 2 2 348.487 3.237 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151542 462452859 /nfs/dbraw/zinc/45/28/59/462452859.db2.gz VSSLVLFSNFRLGZ-IRXDYDNUSA-N 2 2 348.487 3.237 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287040 462455316 /nfs/dbraw/zinc/45/53/16/462455316.db2.gz FSVPZCXWAVMKFR-CABCVRRESA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287040 462455322 /nfs/dbraw/zinc/45/53/22/462455322.db2.gz FSVPZCXWAVMKFR-CABCVRRESA-N 2 2 337.895 3.439 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292364 462460652 /nfs/dbraw/zinc/46/06/52/462460652.db2.gz WDAHPSNKMZNANE-CZUORRHYSA-N 2 2 338.879 3.253 20 0 EGADLP c1c(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc2ncccn12 ZINC000649267243 462462046 /nfs/dbraw/zinc/46/20/46/462462046.db2.gz FKQSZKAFMRYLQT-UHFFFAOYSA-N 2 2 346.438 3.060 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000658353158 462487358 /nfs/dbraw/zinc/48/73/58/462487358.db2.gz KUSHCQSQQWZJLA-OXQOHEQNSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000658353158 462487364 /nfs/dbraw/zinc/48/73/64/462487364.db2.gz KUSHCQSQQWZJLA-OXQOHEQNSA-N 2 2 339.483 3.399 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935073 536465206 /nfs/dbraw/zinc/46/52/06/536465206.db2.gz XYMWBUIUFPPYLI-CRAIPNDOSA-N 2 2 330.863 3.052 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935073 536465208 /nfs/dbraw/zinc/46/52/08/536465208.db2.gz XYMWBUIUFPPYLI-CRAIPNDOSA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935073 536465211 /nfs/dbraw/zinc/46/52/11/536465211.db2.gz XYMWBUIUFPPYLI-CRAIPNDOSA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935073 536465214 /nfs/dbraw/zinc/46/52/14/536465214.db2.gz XYMWBUIUFPPYLI-CRAIPNDOSA-N 2 2 330.863 3.052 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187096871 528177084 /nfs/dbraw/zinc/17/70/84/528177084.db2.gz KDIUPTUMLITWIB-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187096871 528177088 /nfs/dbraw/zinc/17/70/88/528177088.db2.gz KDIUPTUMLITWIB-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+]1CC[C@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000264902772 534958323 /nfs/dbraw/zinc/95/83/23/534958323.db2.gz BZYLIIVOKOZCRT-MRXNPFEDSA-N 2 2 325.460 3.299 20 0 EGADLP CCC[N@H+]1CC[C@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000264902772 534958328 /nfs/dbraw/zinc/95/83/28/534958328.db2.gz BZYLIIVOKOZCRT-MRXNPFEDSA-N 2 2 325.460 3.299 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000353453729 535699747 /nfs/dbraw/zinc/69/97/47/535699747.db2.gz ZKSOVKUFYSDSFH-SFHVURJKSA-N 2 2 346.519 3.245 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1Cl ZINC000357938682 536015069 /nfs/dbraw/zinc/01/50/69/536015069.db2.gz YRVKULBEISKIMM-UHFFFAOYSA-N 2 2 345.874 3.472 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000357938682 536015071 /nfs/dbraw/zinc/01/50/71/536015071.db2.gz YRVKULBEISKIMM-UHFFFAOYSA-N 2 2 345.874 3.472 20 0 EGADLP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000264927290 536136383 /nfs/dbraw/zinc/13/63/83/536136383.db2.gz VQGFSZPIELXEFV-INIZCTEOSA-N 2 2 325.412 3.040 20 0 EGADLP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959801 546603101 /nfs/dbraw/zinc/60/31/01/546603101.db2.gz ZPJWKMTZXUXZFT-AWEZNQCLSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959801 546603109 /nfs/dbraw/zinc/60/31/09/546603109.db2.gz ZPJWKMTZXUXZFT-AWEZNQCLSA-N 2 2 325.391 3.114 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCOCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000090168549 546654702 /nfs/dbraw/zinc/65/47/02/546654702.db2.gz KMDARLCBPLPEOY-OAHLLOKOSA-N 2 2 330.394 3.208 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCOCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000090168549 546654708 /nfs/dbraw/zinc/65/47/08/546654708.db2.gz KMDARLCBPLPEOY-OAHLLOKOSA-N 2 2 330.394 3.208 20 0 EGADLP CCc1cnc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093807490 546686844 /nfs/dbraw/zinc/68/68/44/546686844.db2.gz DWGVOVFGKMDJQJ-UHFFFAOYSA-N 2 2 333.501 3.278 20 0 EGADLP CCc1cnc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093807490 546686846 /nfs/dbraw/zinc/68/68/46/546686846.db2.gz DWGVOVFGKMDJQJ-UHFFFAOYSA-N 2 2 333.501 3.278 20 0 EGADLP Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125246106 546750514 /nfs/dbraw/zinc/75/05/14/546750514.db2.gz FGUGPHAACJSPJZ-UHFFFAOYSA-N 2 2 334.423 3.367 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000128555565 546780031 /nfs/dbraw/zinc/78/00/31/546780031.db2.gz NSJROQROEFYCRC-UHFFFAOYSA-N 2 2 326.444 3.206 20 0 EGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccccc1OC(F)F ZINC000163713196 546974600 /nfs/dbraw/zinc/97/46/00/546974600.db2.gz VNFUTWLKRMDHIY-INIZCTEOSA-N 2 2 342.430 3.440 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cn[nH]c2C)cc1 ZINC000180143050 547052774 /nfs/dbraw/zinc/05/27/74/547052774.db2.gz DXFXTFJOYASUBM-OAHLLOKOSA-N 2 2 330.476 3.290 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000192745131 547204860 /nfs/dbraw/zinc/20/48/60/547204860.db2.gz OEUUWTFUGTWYEW-HNNXBMFYSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000192745131 547204866 /nfs/dbraw/zinc/20/48/66/547204866.db2.gz OEUUWTFUGTWYEW-HNNXBMFYSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000192745131 547204868 /nfs/dbraw/zinc/20/48/68/547204868.db2.gz OEUUWTFUGTWYEW-HNNXBMFYSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000192745131 547204872 /nfs/dbraw/zinc/20/48/72/547204872.db2.gz OEUUWTFUGTWYEW-HNNXBMFYSA-N 2 2 326.444 3.355 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)[nH+]1 ZINC000285090263 547387879 /nfs/dbraw/zinc/38/78/79/547387879.db2.gz YLILXZPQBJTQPV-HNAYVOBHSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)[nH+]1 ZINC000285090263 547387884 /nfs/dbraw/zinc/38/78/84/547387884.db2.gz YLILXZPQBJTQPV-HNAYVOBHSA-N 2 2 325.460 3.151 20 0 EGADLP [NH3+]C1(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000333856560 547543981 /nfs/dbraw/zinc/54/39/81/547543981.db2.gz RASRZPASAZUWLI-ZOAQYOGUSA-N 2 2 343.519 3.169 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193409 548259630 /nfs/dbraw/zinc/25/96/30/548259630.db2.gz MQWXPFZEFWKVBD-KKSFZXQISA-N 2 2 334.467 3.216 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193409 548259635 /nfs/dbraw/zinc/25/96/35/548259635.db2.gz MQWXPFZEFWKVBD-KKSFZXQISA-N 2 2 334.467 3.216 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000671746842 548351501 /nfs/dbraw/zinc/35/15/01/548351501.db2.gz OMNRWAGBNAUWPR-RDTXWAMCSA-N 2 2 332.488 3.017 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000671746842 548351504 /nfs/dbraw/zinc/35/15/04/548351504.db2.gz OMNRWAGBNAUWPR-RDTXWAMCSA-N 2 2 332.488 3.017 20 0 EGADLP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000675883395 548996956 /nfs/dbraw/zinc/99/69/56/548996956.db2.gz ZOJXRDDMGFLAFO-OAQYLSRUSA-N 3 2 349.563 3.017 20 0 EGADLP FC(F)(F)c1ccc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000677374782 549260347 /nfs/dbraw/zinc/26/03/47/549260347.db2.gz DFVANEHIGNDYJT-STQMWFEESA-N 2 2 337.345 3.012 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000678235622 549435872 /nfs/dbraw/zinc/43/58/72/549435872.db2.gz XGIBUDOGCVVQGT-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000678235622 549435876 /nfs/dbraw/zinc/43/58/76/549435876.db2.gz XGIBUDOGCVVQGT-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235104 549436328 /nfs/dbraw/zinc/43/63/28/549436328.db2.gz DBJKQXODYBRVKL-KRWDZBQOSA-N 2 2 337.427 3.119 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235104 549436332 /nfs/dbraw/zinc/43/63/32/549436332.db2.gz DBJKQXODYBRVKL-KRWDZBQOSA-N 2 2 337.427 3.119 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000678586641 549525170 /nfs/dbraw/zinc/52/51/70/549525170.db2.gz IXDYPKDVHIRSKP-ZFWWWQNUSA-N 2 2 344.484 3.130 20 0 EGADLP COc1ccc([C@H](CNc2cc[nH+]cc2F)[NH+]2CCCCC2)cc1 ZINC000678789310 549561586 /nfs/dbraw/zinc/56/15/86/549561586.db2.gz XRUFZJSIAMNTLA-IBGZPJMESA-N 2 2 329.419 3.290 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678924293 549595087 /nfs/dbraw/zinc/59/50/87/549595087.db2.gz JAMCKAHIZKRWIE-SFHVURJKSA-N 2 2 326.488 3.180 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678924293 549595091 /nfs/dbraw/zinc/59/50/91/549595091.db2.gz JAMCKAHIZKRWIE-SFHVURJKSA-N 2 2 326.488 3.180 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545275 549731402 /nfs/dbraw/zinc/73/14/02/549731402.db2.gz JPILKUMZWNBZGA-HYVNUMGLSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545275 549731406 /nfs/dbraw/zinc/73/14/06/549731406.db2.gz JPILKUMZWNBZGA-HYVNUMGLSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679545275 549731407 /nfs/dbraw/zinc/73/14/07/549731407.db2.gz JPILKUMZWNBZGA-HYVNUMGLSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679545275 549731411 /nfs/dbraw/zinc/73/14/11/549731411.db2.gz JPILKUMZWNBZGA-HYVNUMGLSA-N 2 2 344.421 3.142 20 0 EGADLP Cn1cc[nH+]c1[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(F)c1 ZINC000679581405 549739565 /nfs/dbraw/zinc/73/95/65/549739565.db2.gz FADCTZDAAXJJEC-GOSISDBHSA-N 2 2 348.385 3.341 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401525 549992745 /nfs/dbraw/zinc/99/27/45/549992745.db2.gz HIDFNIDNAMEFIP-UTKZUKDTSA-N 3 2 329.532 3.217 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401525 549992747 /nfs/dbraw/zinc/99/27/47/549992747.db2.gz HIDFNIDNAMEFIP-UTKZUKDTSA-N 3 2 329.532 3.217 20 0 EGADLP Cn1c[nH+]c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000683896988 550271685 /nfs/dbraw/zinc/27/16/85/550271685.db2.gz HEQANTDTOAKZNR-UHFFFAOYSA-N 2 2 346.478 3.327 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)c[nH+]1 ZINC000684375843 550321415 /nfs/dbraw/zinc/32/14/15/550321415.db2.gz CFPIPOSTXVPXFO-KRWDZBQOSA-N 2 2 331.410 3.469 20 0 EGADLP O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc2[nH+]ccn2c1 ZINC000684850698 550376595 /nfs/dbraw/zinc/37/65/95/550376595.db2.gz POKWGKCRBNTOFH-UHFFFAOYSA-N 2 2 329.363 3.147 20 0 EGADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000727931470 574704878 /nfs/dbraw/zinc/70/48/78/574704878.db2.gz LRNHWBXFDDVZNY-NZSAHSFTSA-N 2 2 338.536 3.264 20 0 EGADLP CCc1ccc2c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000729265864 574834817 /nfs/dbraw/zinc/83/48/17/574834817.db2.gz QTHZPHQCLLQTBP-KRWDZBQOSA-N 2 2 337.423 3.389 20 0 EGADLP c1cc(CNc2nc(N3CCCC3)cc[nH+]2)cc(N2CCCCC2)[nH+]1 ZINC000733186610 575317916 /nfs/dbraw/zinc/31/79/16/575317916.db2.gz AVZOORYEETVWHI-UHFFFAOYSA-N 2 2 338.459 3.074 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H](Nc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000733188136 575318410 /nfs/dbraw/zinc/31/84/10/575318410.db2.gz ZBJJTILNCWWURR-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H](Nc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000733188136 575318412 /nfs/dbraw/zinc/31/84/12/575318412.db2.gz ZBJJTILNCWWURR-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@@H](C)c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000182250737 575343305 /nfs/dbraw/zinc/34/33/05/575343305.db2.gz WBWZJXDTDKNDHJ-YJBOKZPZSA-N 2 2 330.476 3.162 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1c[nH]nc1C ZINC000678998766 576172729 /nfs/dbraw/zinc/17/27/29/576172729.db2.gz RNPIBIQLACKOJE-UHFFFAOYSA-N 2 2 326.448 3.022 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000738877671 576220955 /nfs/dbraw/zinc/22/09/55/576220955.db2.gz UFERWRAGLLZATG-IBGZPJMESA-N 2 2 337.458 3.129 20 0 EGADLP O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738148277 576293268 /nfs/dbraw/zinc/29/32/68/576293268.db2.gz KGCLKJXPRFWZQC-INIZCTEOSA-N 2 2 332.407 3.291 20 0 EGADLP O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738148277 576293272 /nfs/dbraw/zinc/29/32/72/576293272.db2.gz KGCLKJXPRFWZQC-INIZCTEOSA-N 2 2 332.407 3.291 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000742374638 576775548 /nfs/dbraw/zinc/77/55/48/576775548.db2.gz AUJIKMQOGCHJAG-ZFWWWQNUSA-N 2 2 332.879 3.313 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000742374638 576775549 /nfs/dbraw/zinc/77/55/49/576775549.db2.gz AUJIKMQOGCHJAG-ZFWWWQNUSA-N 2 2 332.879 3.313 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742375045 576775556 /nfs/dbraw/zinc/77/55/56/576775556.db2.gz LKARWXGVNUOQLJ-RHSMWYFYSA-N 2 2 346.906 3.466 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742375045 576775557 /nfs/dbraw/zinc/77/55/57/576775557.db2.gz LKARWXGVNUOQLJ-RHSMWYFYSA-N 2 2 346.906 3.466 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1cccc2c1OCCO2)Cc1ccccc1 ZINC000060856779 1291948613 /nfs/dbraw/zinc/94/86/13/1291948613.db2.gz YQJSEJLDKVXHKQ-UHFFFAOYSA-N 2 2 326.440 3.070 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1cccc2c1OCCO2)Cc1ccccc1 ZINC000060856779 1291948618 /nfs/dbraw/zinc/94/86/18/1291948618.db2.gz YQJSEJLDKVXHKQ-UHFFFAOYSA-N 2 2 326.440 3.070 20 0 EGADLP c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c2c(c1)OCCO2 ZINC000063319733 1292006885 /nfs/dbraw/zinc/00/68/85/1292006885.db2.gz YBMQSURKWWNLFJ-UHFFFAOYSA-N 2 2 330.472 3.202 20 0 EGADLP CCOc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OCC(C)C ZINC000075784372 1292411066 /nfs/dbraw/zinc/41/10/66/1292411066.db2.gz PZTSXNTUMKGCMB-MRXNPFEDSA-N 2 2 331.460 3.495 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1C ZINC000827970225 1292413522 /nfs/dbraw/zinc/41/35/22/1292413522.db2.gz ALQCMHXVCPPEEH-GOSISDBHSA-N 2 2 341.455 3.049 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3ccccc3nc1Cl)CCO2 ZINC000830630624 1292742760 /nfs/dbraw/zinc/74/27/60/1292742760.db2.gz MTPKTAHHORIODA-UHFFFAOYSA-N 2 2 345.874 3.185 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3ccccc3nc1Cl)CCO2 ZINC000830630624 1292742767 /nfs/dbraw/zinc/74/27/67/1292742767.db2.gz MTPKTAHHORIODA-UHFFFAOYSA-N 2 2 345.874 3.185 20 0 EGADLP C[C@H](Cc1cnccn1)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000834737864 1293140479 /nfs/dbraw/zinc/14/04/79/1293140479.db2.gz ZEEJBOSQFCIMJC-MRXNPFEDSA-N 2 2 339.487 3.050 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000834789218 1293148623 /nfs/dbraw/zinc/14/86/23/1293148623.db2.gz AUIYKLYEJSNICE-XLIONFOSSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000834789218 1293148629 /nfs/dbraw/zinc/14/86/29/1293148629.db2.gz AUIYKLYEJSNICE-XLIONFOSSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000834789216 1293148809 /nfs/dbraw/zinc/14/88/09/1293148809.db2.gz AUIYKLYEJSNICE-FXAWDEMLSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000834789216 1293148817 /nfs/dbraw/zinc/14/88/17/1293148817.db2.gz AUIYKLYEJSNICE-FXAWDEMLSA-N 2 2 326.488 3.466 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Cl ZINC000116333413 1293203603 /nfs/dbraw/zinc/20/36/03/1293203603.db2.gz YLTONSRUWGMMGU-UHFFFAOYSA-N 2 2 344.890 3.457 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cnn(C)c1 ZINC000122325030 1293408895 /nfs/dbraw/zinc/40/88/95/1293408895.db2.gz UETDRHPBPMZSOS-HXUWFJFHSA-N 2 2 341.503 3.196 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000122358950 1293410327 /nfs/dbraw/zinc/41/03/27/1293410327.db2.gz QTWLDLXVXIODLA-UHFFFAOYSA-N 3 2 344.547 3.184 20 0 EGADLP CC1CCN(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000156008489 1294123349 /nfs/dbraw/zinc/12/33/49/1294123349.db2.gz XBFRMDWUYFDZTL-UHFFFAOYSA-N 2 2 344.547 3.043 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000162811264 1294323420 /nfs/dbraw/zinc/32/34/20/1294323420.db2.gz QLTZKHCJJGWOKF-UHFFFAOYSA-N 2 2 334.423 3.285 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000162811264 1294323428 /nfs/dbraw/zinc/32/34/28/1294323428.db2.gz QLTZKHCJJGWOKF-UHFFFAOYSA-N 2 2 334.423 3.285 20 0 EGADLP CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163839575 1294339496 /nfs/dbraw/zinc/33/94/96/1294339496.db2.gz QFHLKWMXOOSPJA-UZLBHIALSA-N 2 2 333.520 3.108 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166532173 1294363019 /nfs/dbraw/zinc/36/30/19/1294363019.db2.gz HTEIGJYUDWYGGG-CYBMUJFWSA-N 2 2 348.288 3.429 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166532173 1294363023 /nfs/dbraw/zinc/36/30/23/1294363023.db2.gz HTEIGJYUDWYGGG-CYBMUJFWSA-N 2 2 348.288 3.429 20 0 EGADLP Cc1cc([C@](C)(O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)o1 ZINC000180167562 1294866503 /nfs/dbraw/zinc/86/65/03/1294866503.db2.gz IMHKXSHHCCXNEI-MRXNPFEDSA-N 2 2 348.409 3.110 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)[C@H](C)C1 ZINC000187019875 1295362779 /nfs/dbraw/zinc/36/27/79/1295362779.db2.gz QXLIMWPFZDXJLX-TZMCWYRMSA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)[C@H](C)C1 ZINC000187019875 1295362793 /nfs/dbraw/zinc/36/27/93/1295362793.db2.gz QXLIMWPFZDXJLX-TZMCWYRMSA-N 2 2 331.913 3.023 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000191277203 1295664662 /nfs/dbraw/zinc/66/46/62/1295664662.db2.gz LRTQAJWTLJMXAJ-UHFFFAOYSA-N 2 2 342.443 3.032 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1c2cc(C)ccc2oc1=O ZINC000191277203 1295664677 /nfs/dbraw/zinc/66/46/77/1295664677.db2.gz LRTQAJWTLJMXAJ-UHFFFAOYSA-N 2 2 342.443 3.032 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000237125194 1296220430 /nfs/dbraw/zinc/22/04/30/1296220430.db2.gz BNWRENNCPAUENG-UHFFFAOYSA-N 2 2 328.456 3.455 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000237106576 1296221908 /nfs/dbraw/zinc/22/19/08/1296221908.db2.gz VRJBGMMPWYYBDG-UHFFFAOYSA-N 2 2 347.286 3.202 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1 ZINC000289569842 1296745882 /nfs/dbraw/zinc/74/58/82/1296745882.db2.gz SJBXRUSLBNOSTR-KSSFIOAISA-N 2 2 338.459 3.357 20 0 EGADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000301516099 1296789470 /nfs/dbraw/zinc/78/94/70/1296789470.db2.gz SFNZZAZDWAYJJO-IXDOHACOSA-N 2 2 341.540 3.484 20 0 EGADLP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309945964 1297079466 /nfs/dbraw/zinc/07/94/66/1297079466.db2.gz KDURUCIOEKUFAH-MRXNPFEDSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000324826195 1297216440 /nfs/dbraw/zinc/21/64/40/1297216440.db2.gz AZNVGXQIKCQQQP-KBXCAEBGSA-N 2 2 329.444 3.420 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000873206978 1297353831 /nfs/dbraw/zinc/35/38/31/1297353831.db2.gz HHEZEGDONWHAIQ-KBXCAEBGSA-N 2 2 328.481 3.356 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000873206978 1297353843 /nfs/dbraw/zinc/35/38/43/1297353843.db2.gz HHEZEGDONWHAIQ-KBXCAEBGSA-N 2 2 328.481 3.356 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000388215494 1297600530 /nfs/dbraw/zinc/60/05/30/1297600530.db2.gz SBIFERJLWCCXMY-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000388215494 1297600541 /nfs/dbraw/zinc/60/05/41/1297600541.db2.gz SBIFERJLWCCXMY-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000389260546 1297608425 /nfs/dbraw/zinc/60/84/25/1297608425.db2.gz OPUOZFJQMQLRHZ-YESZJQIVSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000389260546 1297608433 /nfs/dbraw/zinc/60/84/33/1297608433.db2.gz OPUOZFJQMQLRHZ-YESZJQIVSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000390701975 1297632197 /nfs/dbraw/zinc/63/21/97/1297632197.db2.gz MKSBHHGBZMWWBG-IRXDYDNUSA-N 2 2 339.524 3.145 20 0 EGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000749587070 1299240336 /nfs/dbraw/zinc/24/03/36/1299240336.db2.gz FYCBLEZBGPRKDI-SOLBZPMBSA-N 2 2 349.519 3.051 20 0 EGADLP CN1c2ccc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)cc2CCC1=O ZINC000877673638 1299470305 /nfs/dbraw/zinc/47/03/05/1299470305.db2.gz IXBHMXVOHJWQCP-UHFFFAOYSA-N 2 2 341.499 3.046 20 0 EGADLP c1cn(CCCC2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)c[nH+]1 ZINC000753750752 1300015270 /nfs/dbraw/zinc/01/52/70/1300015270.db2.gz WLQOHXXHJVWWSZ-UHFFFAOYSA-N 2 2 347.503 3.309 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccnc(N(C)C)c3)C2)CC1 ZINC000754032394 1300068829 /nfs/dbraw/zinc/06/88/29/1300068829.db2.gz LCFMSMBUSLSCDJ-IBGZPJMESA-N 2 2 330.520 3.092 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccnc(N(C)C)c3)C2)CC1 ZINC000754032394 1300068840 /nfs/dbraw/zinc/06/88/40/1300068840.db2.gz LCFMSMBUSLSCDJ-IBGZPJMESA-N 2 2 330.520 3.092 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878662234 1300132546 /nfs/dbraw/zinc/13/25/46/1300132546.db2.gz NJHCOABTBSJZNU-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878662234 1300132549 /nfs/dbraw/zinc/13/25/49/1300132549.db2.gz NJHCOABTBSJZNU-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878662234 1300132553 /nfs/dbraw/zinc/13/25/53/1300132553.db2.gz NJHCOABTBSJZNU-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878662234 1300132555 /nfs/dbraw/zinc/13/25/55/1300132555.db2.gz NJHCOABTBSJZNU-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201183 1300981185 /nfs/dbraw/zinc/98/11/85/1300981185.db2.gz HJTSZRFKWWGBOZ-LPHOPBHVSA-N 2 2 332.488 3.032 20 0 EGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201183 1300981189 /nfs/dbraw/zinc/98/11/89/1300981189.db2.gz HJTSZRFKWWGBOZ-LPHOPBHVSA-N 2 2 332.488 3.032 20 0 EGADLP C[C@H](CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205896 1300982916 /nfs/dbraw/zinc/98/29/16/1300982916.db2.gz VRZHDLMDCANDJS-WIYYLYMNSA-N 2 2 346.515 3.215 20 0 EGADLP C[C@H](CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205896 1300982925 /nfs/dbraw/zinc/98/29/25/1300982925.db2.gz VRZHDLMDCANDJS-WIYYLYMNSA-N 2 2 346.515 3.215 20 0 EGADLP COc1cccc(OCC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880569416 1301165475 /nfs/dbraw/zinc/16/54/75/1301165475.db2.gz KISTZSHCTPMOAR-HXUWFJFHSA-N 2 2 337.423 3.302 20 0 EGADLP c1cn(C[C@H]([NH2+]CC2CCC3(CC2)OCCO3)c2ccccc2)c[nH+]1 ZINC000880569132 1301165672 /nfs/dbraw/zinc/16/56/72/1301165672.db2.gz HXEPZLMYYVRUAK-IBGZPJMESA-N 2 2 341.455 3.147 20 0 EGADLP C[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295302 1301437951 /nfs/dbraw/zinc/43/79/51/1301437951.db2.gz WYOKEHSZPZFRIZ-IEBWSBKVSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295302 1301437955 /nfs/dbraw/zinc/43/79/55/1301437955.db2.gz WYOKEHSZPZFRIZ-IEBWSBKVSA-N 2 2 326.488 3.162 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000765675114 1302304503 /nfs/dbraw/zinc/30/45/03/1302304503.db2.gz GZMCUVRPZSZZNY-GHTZIAJQSA-N 2 2 343.515 3.269 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)c(F)c(F)c1 ZINC000765974520 1302361668 /nfs/dbraw/zinc/36/16/68/1302361668.db2.gz ICDGTMJWOLUADK-SWLSCSKDSA-N 2 2 342.405 3.398 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000765976367 1302361877 /nfs/dbraw/zinc/36/18/77/1302361877.db2.gz OAPUIYBQUUYBGG-CZUORRHYSA-N 2 2 337.533 3.308 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)[C@@H]1C ZINC000883388607 1302427808 /nfs/dbraw/zinc/42/78/08/1302427808.db2.gz YQYLWOZHYCAFJC-BVBHFADKSA-N 2 2 341.455 3.192 20 0 EGADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)o1 ZINC000767383484 1302656811 /nfs/dbraw/zinc/65/68/11/1302656811.db2.gz PRFSJKUYWKBMIM-UHFFFAOYSA-N 2 2 328.460 3.434 20 0 EGADLP C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@@H]1CCC[NH+](C)C1 ZINC000768546460 1302931985 /nfs/dbraw/zinc/93/19/85/1302931985.db2.gz SMEATCFHXJUZFK-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@@H]1CCC[NH+](C)C1 ZINC000768546460 1302931992 /nfs/dbraw/zinc/93/19/92/1302931992.db2.gz SMEATCFHXJUZFK-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP C[NH+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000768546460 1302931997 /nfs/dbraw/zinc/93/19/97/1302931997.db2.gz SMEATCFHXJUZFK-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP C[NH+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768546460 1302932004 /nfs/dbraw/zinc/93/20/04/1302932004.db2.gz SMEATCFHXJUZFK-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000769876504 1303186484 /nfs/dbraw/zinc/18/64/84/1303186484.db2.gz SQUWJLDWXIXRER-GFCCVEGCSA-N 2 2 325.416 3.285 20 0 EGADLP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000886646450 1303537643 /nfs/dbraw/zinc/53/76/43/1303537643.db2.gz JNUVTPRJWSOCAD-NZSAHSFTSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000886646450 1303537649 /nfs/dbraw/zinc/53/76/49/1303537649.db2.gz JNUVTPRJWSOCAD-NZSAHSFTSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000886646450 1303537654 /nfs/dbraw/zinc/53/76/54/1303537654.db2.gz JNUVTPRJWSOCAD-NZSAHSFTSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000886646450 1303537658 /nfs/dbraw/zinc/53/76/58/1303537658.db2.gz JNUVTPRJWSOCAD-NZSAHSFTSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)[nH+]c1C ZINC000886672134 1303551861 /nfs/dbraw/zinc/55/18/61/1303551861.db2.gz JFGYQLVIQRJGKB-PMUMKWKESA-N 2 2 346.519 3.147 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886870279 1303621061 /nfs/dbraw/zinc/62/10/61/1303621061.db2.gz USEBUUFWJQZIJZ-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886870279 1303621067 /nfs/dbraw/zinc/62/10/67/1303621067.db2.gz USEBUUFWJQZIJZ-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000774489902 1303817725 /nfs/dbraw/zinc/81/77/25/1303817725.db2.gz WUJBYKWNMBNELK-HUUCEWRRSA-N 2 2 346.462 3.065 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000774489902 1303817731 /nfs/dbraw/zinc/81/77/31/1303817731.db2.gz WUJBYKWNMBNELK-HUUCEWRRSA-N 2 2 346.462 3.065 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)Cc2ccccc2C1 ZINC000775394472 1303954590 /nfs/dbraw/zinc/95/45/90/1303954590.db2.gz QULCXYFFACCJJY-KURKYZTESA-N 2 2 348.581 3.055 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)Cc2ccccc2C1 ZINC000775394475 1303954934 /nfs/dbraw/zinc/95/49/34/1303954934.db2.gz QULCXYFFACCJJY-KZNAEPCWSA-N 2 2 348.581 3.055 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(c3ccccc3)C3CC[NH+](C)CC3)ccn12 ZINC000888272243 1304094257 /nfs/dbraw/zinc/09/42/57/1304094257.db2.gz DUFRSXUDLDTRBN-UHFFFAOYSA-N 2 2 348.450 3.384 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000779038210 1304521731 /nfs/dbraw/zinc/52/17/31/1304521731.db2.gz AHQXIGDBRZYZHC-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000780739319 1304732056 /nfs/dbraw/zinc/73/20/56/1304732056.db2.gz KVZCHZRMHFPPHE-IRXDYDNUSA-N 2 2 331.504 3.444 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CCCOC1 ZINC000780737609 1304732527 /nfs/dbraw/zinc/73/25/27/1304732527.db2.gz ALZMCZCYNWCOAU-IAGOWNOFSA-N 2 2 331.504 3.444 20 0 EGADLP CC(C)[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989113 1304899335 /nfs/dbraw/zinc/89/93/35/1304899335.db2.gz RNQXRWHJIPRGEQ-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989113 1304899336 /nfs/dbraw/zinc/89/93/36/1304899336.db2.gz RNQXRWHJIPRGEQ-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989113 1304899338 /nfs/dbraw/zinc/89/93/38/1304899338.db2.gz RNQXRWHJIPRGEQ-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989113 1304899339 /nfs/dbraw/zinc/89/93/39/1304899339.db2.gz RNQXRWHJIPRGEQ-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(O)cc(Cl)c3)[nH+]c2)C1 ZINC000893206657 1305762532 /nfs/dbraw/zinc/76/25/32/1305762532.db2.gz SZINPCPRWRNOLG-MRXNPFEDSA-N 2 2 346.862 3.193 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788250672 1305907817 /nfs/dbraw/zinc/90/78/17/1305907817.db2.gz TXJVJOSYUBJFPI-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788250672 1305907820 /nfs/dbraw/zinc/90/78/20/1305907820.db2.gz TXJVJOSYUBJFPI-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788252260 1305908037 /nfs/dbraw/zinc/90/80/37/1305908037.db2.gz ZOZHPYRHFWDTAB-HOTGVXAUSA-N 2 2 327.513 3.142 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788252260 1305908046 /nfs/dbraw/zinc/90/80/46/1305908046.db2.gz ZOZHPYRHFWDTAB-HOTGVXAUSA-N 2 2 327.513 3.142 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@]1(C)CCCO1 ZINC000788609343 1305980685 /nfs/dbraw/zinc/98/06/85/1305980685.db2.gz HOOGDMADMREEBR-OXJNMPFZSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977801 1306160042 /nfs/dbraw/zinc/16/00/42/1306160042.db2.gz JKLNSQKFAWSNGJ-RDJZCZTQSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977801 1306160052 /nfs/dbraw/zinc/16/00/52/1306160052.db2.gz JKLNSQKFAWSNGJ-RDJZCZTQSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977801 1306160058 /nfs/dbraw/zinc/16/00/58/1306160058.db2.gz JKLNSQKFAWSNGJ-RDJZCZTQSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977801 1306160063 /nfs/dbraw/zinc/16/00/63/1306160063.db2.gz JKLNSQKFAWSNGJ-RDJZCZTQSA-N 2 2 344.455 3.472 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791939290 1309094433 /nfs/dbraw/zinc/09/44/33/1309094433.db2.gz OBHFLVUKQYDOQA-UHFFFAOYSA-N 2 2 327.428 3.253 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791939290 1309094442 /nfs/dbraw/zinc/09/44/42/1309094442.db2.gz OBHFLVUKQYDOQA-UHFFFAOYSA-N 2 2 327.428 3.253 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000793530646 1309396911 /nfs/dbraw/zinc/39/69/11/1309396911.db2.gz FERAPPVLNKJOPC-JENIJYKNSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000793530646 1309396916 /nfs/dbraw/zinc/39/69/16/1309396916.db2.gz FERAPPVLNKJOPC-JENIJYKNSA-N 2 2 326.488 3.432 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)s1 ZINC000796295585 1309956863 /nfs/dbraw/zinc/95/68/63/1309956863.db2.gz QQJKRHGTIANQKB-SFHVURJKSA-N 2 2 341.480 3.181 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@@H+]1C ZINC000796310712 1309962688 /nfs/dbraw/zinc/96/26/88/1309962688.db2.gz BUPMIUZVKYLVQZ-ZYHUDNBSSA-N 2 2 327.259 3.213 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@H+]1C ZINC000796310712 1309962694 /nfs/dbraw/zinc/96/26/94/1309962694.db2.gz BUPMIUZVKYLVQZ-ZYHUDNBSSA-N 2 2 327.259 3.213 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000796716726 1310070413 /nfs/dbraw/zinc/07/04/13/1310070413.db2.gz MZIZUEFTCOMDIJ-CQSZACIVSA-N 2 2 348.406 3.054 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000796782080 1310086683 /nfs/dbraw/zinc/08/66/83/1310086683.db2.gz OSQUMTXUHLHWOP-LAUBAEHRSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000796782080 1310086695 /nfs/dbraw/zinc/08/66/95/1310086695.db2.gz OSQUMTXUHLHWOP-LAUBAEHRSA-N 2 2 339.483 3.448 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)on2)c1 ZINC000897840493 1310486819 /nfs/dbraw/zinc/48/68/19/1310486819.db2.gz BNCCNCZVVIHIQG-HZPDHXFCSA-N 2 2 327.428 3.067 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)on2)c1 ZINC000897840493 1310486827 /nfs/dbraw/zinc/48/68/27/1310486827.db2.gz BNCCNCZVVIHIQG-HZPDHXFCSA-N 2 2 327.428 3.067 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@H](C)C1 ZINC000800493842 1310769450 /nfs/dbraw/zinc/76/94/50/1310769450.db2.gz BVZNNTBQIZQPQL-NVXWUHKLSA-N 2 2 339.911 3.270 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@H](C)C1 ZINC000800493842 1310769459 /nfs/dbraw/zinc/76/94/59/1310769459.db2.gz BVZNNTBQIZQPQL-NVXWUHKLSA-N 2 2 339.911 3.270 20 0 EGADLP [NH3+]CC1(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCCCC1 ZINC000822807848 1320125230 /nfs/dbraw/zinc/12/52/30/1320125230.db2.gz IXSGJDOHJJSSHE-UHFFFAOYSA-N 2 2 337.427 3.374 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000900436557 1317288917 /nfs/dbraw/zinc/28/89/17/1317288917.db2.gz KYNQTDJLBQGCAN-QGZVFWFLSA-N 2 2 347.528 3.047 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000900436557 1317288926 /nfs/dbraw/zinc/28/89/26/1317288926.db2.gz KYNQTDJLBQGCAN-QGZVFWFLSA-N 2 2 347.528 3.047 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000957337171 1317291827 /nfs/dbraw/zinc/29/18/27/1317291827.db2.gz LVGHHTWUWWPNIC-IRXDYDNUSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001019566038 1317293630 /nfs/dbraw/zinc/29/36/30/1317293630.db2.gz OUVSUIPTSZSVSG-QAPCUYQASA-N 2 2 340.471 3.027 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001019656592 1317319702 /nfs/dbraw/zinc/31/97/02/1317319702.db2.gz OGOOUFDZPRAWKT-IRXDYDNUSA-N 2 2 340.471 3.029 20 0 EGADLP CN(C)c1ncc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000929804689 1328705064 /nfs/dbraw/zinc/70/50/64/1328705064.db2.gz XLKMAHMTFSQNLE-UHFFFAOYSA-N 2 2 335.455 3.404 20 0 EGADLP CC1CC[NH+](CCC[C@H]([NH2+]CC2([NH3+])CC2)c2ccc(F)cc2)CC1 ZINC000902406153 1317575018 /nfs/dbraw/zinc/57/50/18/1317575018.db2.gz MBPCOEYRDZTNCN-IBGZPJMESA-N 3 2 333.495 3.460 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440302 1317578758 /nfs/dbraw/zinc/57/87/58/1317578758.db2.gz YTDCVPQBZJGJIK-YRISNDGFSA-N 2 2 340.467 3.239 20 0 EGADLP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000903065942 1317647122 /nfs/dbraw/zinc/64/71/22/1317647122.db2.gz JCBFGKRPABEQAT-OAHLLOKOSA-N 2 2 341.455 3.176 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CC3=CCCCC3)C2)c(C)[nH+]1 ZINC001020414800 1317687326 /nfs/dbraw/zinc/68/73/26/1317687326.db2.gz MUCQSQRYAJWGIH-IYARVYRRSA-N 2 2 327.472 3.358 20 0 EGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797988 1317737121 /nfs/dbraw/zinc/73/71/21/1317737121.db2.gz LXZOMVFJQQCJFS-TZIWHRDSSA-N 2 2 337.467 3.364 20 0 EGADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797988 1317737125 /nfs/dbraw/zinc/73/71/25/1317737125.db2.gz LXZOMVFJQQCJFS-TZIWHRDSSA-N 2 2 337.467 3.364 20 0 EGADLP CCc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816330 1317737451 /nfs/dbraw/zinc/73/74/51/1317737451.db2.gz YEZJHCQKWCNDTQ-SFHVURJKSA-N 2 2 329.488 3.171 20 0 EGADLP CCc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816330 1317737455 /nfs/dbraw/zinc/73/74/55/1317737455.db2.gz YEZJHCQKWCNDTQ-SFHVURJKSA-N 2 2 329.488 3.171 20 0 EGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000903821283 1317737666 /nfs/dbraw/zinc/73/76/66/1317737666.db2.gz JGIDJJINYGTGHK-IAGOWNOFSA-N 2 2 336.357 3.342 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)sc2c1 ZINC000903960064 1317757639 /nfs/dbraw/zinc/75/76/39/1317757639.db2.gz WGHRMWHAQFGXOI-SFHVURJKSA-N 2 2 331.485 3.271 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)sc2c1 ZINC000903960064 1317757644 /nfs/dbraw/zinc/75/76/44/1317757644.db2.gz WGHRMWHAQFGXOI-SFHVURJKSA-N 2 2 331.485 3.271 20 0 EGADLP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904309659 1317828757 /nfs/dbraw/zinc/82/87/57/1317828757.db2.gz ONFZLEZAVRUXTF-AZUAARDMSA-N 2 2 332.488 3.066 20 0 EGADLP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904309659 1317828764 /nfs/dbraw/zinc/82/87/64/1317828764.db2.gz ONFZLEZAVRUXTF-AZUAARDMSA-N 2 2 332.488 3.066 20 0 EGADLP CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000960045486 1318327371 /nfs/dbraw/zinc/32/73/71/1318327371.db2.gz JPBYTVFCKJLSTC-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC000960148816 1318382291 /nfs/dbraw/zinc/38/22/91/1318382291.db2.gz ABIXHRKDZWLSRS-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154556 1318388962 /nfs/dbraw/zinc/38/89/62/1318388962.db2.gz HNPDJVJTIMCPCI-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154556 1318388969 /nfs/dbraw/zinc/38/89/69/1318388969.db2.gz HNPDJVJTIMCPCI-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000812825468 1318465289 /nfs/dbraw/zinc/46/52/89/1318465289.db2.gz UJRPMWNWVVWUGV-OAHLLOKOSA-N 2 2 333.505 3.013 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]([NH2+]Cc4cccc(C)c4)C3)ccn12 ZINC001022080656 1318792195 /nfs/dbraw/zinc/79/21/95/1318792195.db2.gz KYVSBDNPDHVYFC-KDURUIRLSA-N 2 2 348.450 3.002 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001022424244 1318935035 /nfs/dbraw/zinc/93/50/35/1318935035.db2.gz WLOFQNOJUSWYHD-CALCHBBNSA-N 2 2 340.471 3.155 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC000961034921 1319158701 /nfs/dbraw/zinc/15/87/01/1319158701.db2.gz ALRCASUABDFYBZ-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC000961034921 1319158704 /nfs/dbraw/zinc/15/87/04/1319158704.db2.gz ALRCASUABDFYBZ-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817966482 1319479641 /nfs/dbraw/zinc/47/96/41/1319479641.db2.gz OQBTYBDPGBRTPQ-QMTHXVAHSA-N 2 2 330.245 3.024 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000917009935 1319737601 /nfs/dbraw/zinc/73/76/01/1319737601.db2.gz OITJFIDMQDEQQQ-LJQANCHMSA-N 2 2 346.515 3.110 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC(C[NH2+]Cc3ccsc3)C2)c(C)[nH+]1 ZINC000962106328 1319825263 /nfs/dbraw/zinc/82/52/63/1319825263.db2.gz JYEPXXSXZVZWOJ-UHFFFAOYSA-N 2 2 343.496 3.367 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823579122 1320188183 /nfs/dbraw/zinc/18/81/83/1320188183.db2.gz MRBRCJJSRUCRBB-GVDBMIGSSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823579122 1320188186 /nfs/dbraw/zinc/18/81/86/1320188186.db2.gz MRBRCJJSRUCRBB-GVDBMIGSSA-N 2 2 339.524 3.096 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccnc(Cl)c3F)[nH+]c2)C1 ZINC000824027682 1320223048 /nfs/dbraw/zinc/22/30/48/1320223048.db2.gz OCZZUHYPFNBGHD-CQSZACIVSA-N 2 2 349.841 3.022 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2nccn21 ZINC000825016950 1320304451 /nfs/dbraw/zinc/30/44/51/1320304451.db2.gz JVEWPGHVUHDLLM-HNAYVOBHSA-N 2 2 339.487 3.214 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2nccn21 ZINC000825016947 1320304583 /nfs/dbraw/zinc/30/45/83/1320304583.db2.gz JVEWPGHVUHDLLM-DNVCBOLYSA-N 2 2 339.487 3.214 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC[C@H]3CCOC3)CC2)cc1 ZINC000825144895 1320314815 /nfs/dbraw/zinc/31/48/15/1320314815.db2.gz SJTRKGMUHAJGPX-KRWDZBQOSA-N 2 2 331.504 3.128 20 0 EGADLP CCSc1ccccc1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000930626135 1328918594 /nfs/dbraw/zinc/91/85/94/1328918594.db2.gz KHKZGOONJIIWOU-UHFFFAOYSA-N 2 2 336.545 3.371 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000841064845 1321212039 /nfs/dbraw/zinc/21/20/39/1321212039.db2.gz CUHBXDXQTITILO-QGZVFWFLSA-N 2 2 327.472 3.365 20 0 EGADLP Cc1[nH+]cc(CNc2ccc3c(c2)C[NH2+]CCO3)n1-c1ccccc1 ZINC000841083650 1321216300 /nfs/dbraw/zinc/21/63/00/1321216300.db2.gz WVJQIFAATYPZKH-UHFFFAOYSA-N 2 2 334.423 3.275 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100315 1321218459 /nfs/dbraw/zinc/21/84/59/1321218459.db2.gz CHMAXTQNMWICNQ-WFASDCNBSA-N 2 2 335.883 3.082 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100315 1321218463 /nfs/dbraw/zinc/21/84/63/1321218463.db2.gz CHMAXTQNMWICNQ-WFASDCNBSA-N 2 2 335.883 3.082 20 0 EGADLP CC[C@H](C)C[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842755582 1321428313 /nfs/dbraw/zinc/42/83/13/1321428313.db2.gz HDNIXGUBDAIWQR-WMZOPIPTSA-N 2 2 333.520 3.108 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000842828321 1321436355 /nfs/dbraw/zinc/43/63/55/1321436355.db2.gz BCUYMCFHFQWKCF-MRXNPFEDSA-N 2 2 327.428 3.150 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000842828321 1321436357 /nfs/dbraw/zinc/43/63/57/1321436357.db2.gz BCUYMCFHFQWKCF-MRXNPFEDSA-N 2 2 327.428 3.150 20 0 EGADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048374 1321461299 /nfs/dbraw/zinc/46/12/99/1321461299.db2.gz NLDWJCGIIYYROI-CQSZACIVSA-N 2 2 332.879 3.430 20 0 EGADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048374 1321461302 /nfs/dbraw/zinc/46/13/02/1321461302.db2.gz NLDWJCGIIYYROI-CQSZACIVSA-N 2 2 332.879 3.430 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843051976 1321461739 /nfs/dbraw/zinc/46/17/39/1321461739.db2.gz NPPAIEBURBNICP-HIFRSBDPSA-N 2 2 332.879 3.393 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843051976 1321461743 /nfs/dbraw/zinc/46/17/43/1321461743.db2.gz NPPAIEBURBNICP-HIFRSBDPSA-N 2 2 332.879 3.393 20 0 EGADLP Clc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[NH2+]3)CC2)cc1Cl ZINC000843126443 1321474228 /nfs/dbraw/zinc/47/42/28/1321474228.db2.gz RVFNTWVTFFJSCK-HNNXBMFYSA-N 2 2 342.314 3.299 20 0 EGADLP C[C@@H](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)C1CC[NH2+]CC1 ZINC000843187074 1321484131 /nfs/dbraw/zinc/48/41/31/1321484131.db2.gz KYNZVUDFRDVERB-AWEZNQCLSA-N 2 2 337.427 3.101 20 0 EGADLP COc1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1SC(F)(F)F ZINC000843386130 1321509919 /nfs/dbraw/zinc/50/99/19/1321509919.db2.gz FEYNLYJYGSTKDR-GFCCVEGCSA-N 2 2 334.407 3.476 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1SC(F)(F)F ZINC000843386130 1321509921 /nfs/dbraw/zinc/50/99/21/1321509921.db2.gz FEYNLYJYGSTKDR-GFCCVEGCSA-N 2 2 334.407 3.476 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c(Cl)nc21 ZINC000844903104 1321655900 /nfs/dbraw/zinc/65/59/00/1321655900.db2.gz SAMIQQBYTXQNTN-YJBOKZPZSA-N 2 2 347.894 3.226 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c(Cl)nc21 ZINC000844903104 1321655903 /nfs/dbraw/zinc/65/59/03/1321655903.db2.gz SAMIQQBYTXQNTN-YJBOKZPZSA-N 2 2 347.894 3.226 20 0 EGADLP C[C@@H](CC(=O)O[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845599931 1321722267 /nfs/dbraw/zinc/72/22/67/1321722267.db2.gz BIMNGMYZOHVFRQ-JENIJYKNSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@@H](CC(=O)O[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845599931 1321722269 /nfs/dbraw/zinc/72/22/69/1321722269.db2.gz BIMNGMYZOHVFRQ-JENIJYKNSA-N 2 2 341.455 3.288 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccco1 ZINC000849051096 1322058773 /nfs/dbraw/zinc/05/87/73/1322058773.db2.gz WPFSIQCUDNWKLY-XJKSGUPXSA-N 2 2 330.432 3.354 20 0 EGADLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cc(F)ccc1F ZINC000849081066 1322070386 /nfs/dbraw/zinc/07/03/86/1322070386.db2.gz FRLNIFDVWDJADL-UHFFFAOYSA-N 2 2 341.365 3.346 20 0 EGADLP C[NH+](C)[C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000849091489 1322075472 /nfs/dbraw/zinc/07/54/72/1322075472.db2.gz JPWBXPBLZGQKMQ-GOSISDBHSA-N 2 2 344.890 3.299 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000850060779 1322189457 /nfs/dbraw/zinc/18/94/57/1322189457.db2.gz UGBUVIUEVQTQIE-OALUTQOASA-N 2 2 343.471 3.255 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557824 1322266876 /nfs/dbraw/zinc/26/68/76/1322266876.db2.gz YCZFBDFJDJEKKN-ZWKOTPCHSA-N 2 2 345.487 3.114 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557824 1322266881 /nfs/dbraw/zinc/26/68/81/1322266881.db2.gz YCZFBDFJDJEKKN-ZWKOTPCHSA-N 2 2 345.487 3.114 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530563 1322341953 /nfs/dbraw/zinc/34/19/53/1322341953.db2.gz DMAZUIKRRMKNBW-IXDOHACOSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530563 1322341960 /nfs/dbraw/zinc/34/19/60/1322341960.db2.gz DMAZUIKRRMKNBW-IXDOHACOSA-N 2 2 339.524 3.001 20 0 EGADLP CCc1[nH]nc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000921643361 1322369550 /nfs/dbraw/zinc/36/95/50/1322369550.db2.gz NCBIAVPTPREUFX-NSHDSACASA-N 2 2 335.883 3.224 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000922805204 1322621943 /nfs/dbraw/zinc/62/19/43/1322621943.db2.gz JVVYEGHGRGHWKA-OAHLLOKOSA-N 2 2 334.426 3.485 20 0 EGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924605597 1323072351 /nfs/dbraw/zinc/07/23/51/1323072351.db2.gz WTCTUVANMPEILD-OAHLLOKOSA-N 2 2 328.460 3.461 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ncco1 ZINC000924608416 1323073429 /nfs/dbraw/zinc/07/34/29/1323073429.db2.gz AYQAJCPXLUEKBR-OAGGEKHMSA-N 2 2 329.444 3.135 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000924632903 1323085766 /nfs/dbraw/zinc/08/57/66/1323085766.db2.gz SZLUQSUEPNPZLU-BEVDRBHNSA-N 2 2 349.494 3.101 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cnn(C)n1 ZINC000924678231 1323108553 /nfs/dbraw/zinc/10/85/53/1323108553.db2.gz AGJQRZUPHOSJJQ-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnn(C)n1 ZINC000924678231 1323108557 /nfs/dbraw/zinc/10/85/57/1323108557.db2.gz AGJQRZUPHOSJJQ-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924788148 1323163212 /nfs/dbraw/zinc/16/32/12/1323163212.db2.gz LPPGQIDKLVVIME-OAQYLSRUSA-N 2 2 339.483 3.180 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000924874928 1323195498 /nfs/dbraw/zinc/19/54/98/1323195498.db2.gz VGTIAJCEBBKEJF-ZIAGYGMSSA-N 2 2 335.473 3.308 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000924874928 1323195501 /nfs/dbraw/zinc/19/55/01/1323195501.db2.gz VGTIAJCEBBKEJF-ZIAGYGMSSA-N 2 2 335.473 3.308 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000924881614 1323198636 /nfs/dbraw/zinc/19/86/36/1323198636.db2.gz HKOCCQFNZBVHQQ-QYZOEREBSA-N 2 2 343.515 3.128 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000924881614 1323198645 /nfs/dbraw/zinc/19/86/45/1323198645.db2.gz HKOCCQFNZBVHQQ-QYZOEREBSA-N 2 2 343.515 3.128 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510765 1323458885 /nfs/dbraw/zinc/45/88/85/1323458885.db2.gz WGJCGHQUUDBKTK-GOSISDBHSA-N 2 2 348.450 3.347 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510765 1323458888 /nfs/dbraw/zinc/45/88/88/1323458888.db2.gz WGJCGHQUUDBKTK-GOSISDBHSA-N 2 2 348.450 3.347 20 0 EGADLP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC001025035583 1323839228 /nfs/dbraw/zinc/83/92/28/1323839228.db2.gz QVRZNOJTTUCAIA-CTWPCTMYSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255626 1324062277 /nfs/dbraw/zinc/06/22/77/1324062277.db2.gz RIFOGMZYXCTPIF-RTBURBONSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255626 1324062281 /nfs/dbraw/zinc/06/22/81/1324062281.db2.gz RIFOGMZYXCTPIF-RTBURBONSA-N 2 2 346.519 3.165 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](CC(C)C)C3)ccn12 ZINC001025423646 1324256349 /nfs/dbraw/zinc/25/63/49/1324256349.db2.gz SUYYVYDXWGZSSJ-WMZOPIPTSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](CC(C)C)C3)ccn12 ZINC001025423646 1324256356 /nfs/dbraw/zinc/25/63/56/1324256356.db2.gz SUYYVYDXWGZSSJ-WMZOPIPTSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457416 1324297631 /nfs/dbraw/zinc/29/76/31/1324297631.db2.gz CANBEEVZVXEDMQ-HZPDHXFCSA-N 2 2 340.471 3.359 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457416 1324297637 /nfs/dbraw/zinc/29/76/37/1324297637.db2.gz CANBEEVZVXEDMQ-HZPDHXFCSA-N 2 2 340.471 3.359 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001025460208 1324304424 /nfs/dbraw/zinc/30/44/24/1324304424.db2.gz XUGFDIQVNPQBFG-DZYGNGBISA-N 2 2 346.862 3.146 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001025460208 1324304429 /nfs/dbraw/zinc/30/44/29/1324304429.db2.gz XUGFDIQVNPQBFG-DZYGNGBISA-N 2 2 346.862 3.146 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000931773836 1329180706 /nfs/dbraw/zinc/18/07/06/1329180706.db2.gz UYEWFCCEVGAICI-OAHLLOKOSA-N 2 2 342.443 3.008 20 0 EGADLP O=C(NC1CCC([NH2+]CC2=CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001026509228 1324856336 /nfs/dbraw/zinc/85/63/36/1324856336.db2.gz GBJSVQYBZYGAEQ-OPQOLIRYSA-N 2 2 342.487 3.031 20 0 EGADLP O=C(NC1CCC([NH2+]CC2=CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001026509228 1324856348 /nfs/dbraw/zinc/85/63/48/1324856348.db2.gz GBJSVQYBZYGAEQ-OPQOLIRYSA-N 2 2 342.487 3.031 20 0 EGADLP COCCSc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925495516 1325176469 /nfs/dbraw/zinc/17/64/69/1325176469.db2.gz YYGFHNFNYJXVTL-JAVISRFCSA-N 2 2 332.513 3.072 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c[nH+]1 ZINC000925532490 1325194777 /nfs/dbraw/zinc/19/47/77/1325194777.db2.gz GVEYCDOJQHBEHQ-SFTDATJTSA-N 3 2 338.499 3.189 20 0 EGADLP c1ccc(COCc2cccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c2)cc1 ZINC000925546848 1325201177 /nfs/dbraw/zinc/20/11/77/1325201177.db2.gz QKZLSSPJNJIUMU-FADBTOOJSA-N 2 2 348.490 3.489 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963483662 1325275711 /nfs/dbraw/zinc/27/57/11/1325275711.db2.gz HZSGVYGUBFJQNN-OPQOLIRYSA-N 2 2 344.503 3.063 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000963483662 1325275719 /nfs/dbraw/zinc/27/57/19/1325275719.db2.gz HZSGVYGUBFJQNN-OPQOLIRYSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287431 1325504817 /nfs/dbraw/zinc/50/48/17/1325504817.db2.gz NZTWSTUGJZDIJV-IAGOWNOFSA-N 2 2 343.471 3.493 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287431 1325504825 /nfs/dbraw/zinc/50/48/25/1325504825.db2.gz NZTWSTUGJZDIJV-IAGOWNOFSA-N 2 2 343.471 3.493 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cc(C4CC4)nn3C)CC2)C1 ZINC000927099637 1327861057 /nfs/dbraw/zinc/86/10/57/1327861057.db2.gz RILOEBXKSUMUSJ-CRAIPNDOSA-N 2 2 330.520 3.430 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598505 1327950314 /nfs/dbraw/zinc/95/03/14/1327950314.db2.gz RLCHTISMBXBTBS-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598505 1327950318 /nfs/dbraw/zinc/95/03/18/1327950318.db2.gz RLCHTISMBXBTBS-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027629711 1327994138 /nfs/dbraw/zinc/99/41/38/1327994138.db2.gz ZFUHGXXICPWOAH-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027629711 1327994144 /nfs/dbraw/zinc/99/41/44/1327994144.db2.gz ZFUHGXXICPWOAH-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969067 1328441232 /nfs/dbraw/zinc/44/12/32/1328441232.db2.gz ANZNHJKFVDALFV-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969067 1328441236 /nfs/dbraw/zinc/44/12/36/1328441236.db2.gz ANZNHJKFVDALFV-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933244902 1329873803 /nfs/dbraw/zinc/87/38/03/1329873803.db2.gz AZTSQMPRCLKMSQ-CJNGLKHVSA-N 2 2 330.394 3.203 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933244902 1329873804 /nfs/dbraw/zinc/87/38/04/1329873804.db2.gz AZTSQMPRCLKMSQ-CJNGLKHVSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339521 1330098401 /nfs/dbraw/zinc/09/84/01/1330098401.db2.gz LBNGLUUMUSWUBI-FZMZJTMJSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339521 1330098402 /nfs/dbraw/zinc/09/84/02/1330098402.db2.gz LBNGLUUMUSWUBI-FZMZJTMJSA-N 2 2 334.407 3.016 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)ccc1F ZINC000866707480 1330143576 /nfs/dbraw/zinc/14/35/76/1330143576.db2.gz OWXYZFKGYBEHNM-LJQANCHMSA-N 2 2 346.450 3.381 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)n2)ccc1F ZINC000866707480 1330143577 /nfs/dbraw/zinc/14/35/77/1330143577.db2.gz OWXYZFKGYBEHNM-LJQANCHMSA-N 2 2 346.450 3.381 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000868686212 1330315613 /nfs/dbraw/zinc/31/56/13/1330315613.db2.gz TXWIRAJEYXNZGF-UHFFFAOYSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)c[nH+]1 ZINC000947442361 1333128827 /nfs/dbraw/zinc/12/88/27/1333128827.db2.gz USNUDRJMCNERCN-DLBZAZTESA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@@H](C)C2)c[nH+]1 ZINC000947442361 1333128830 /nfs/dbraw/zinc/12/88/30/1333128830.db2.gz USNUDRJMCNERCN-DLBZAZTESA-N 2 2 348.535 3.332 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554349 1333573175 /nfs/dbraw/zinc/57/31/75/1333573175.db2.gz UTVAXCXPWFTPDT-INIZCTEOSA-N 2 2 328.460 3.290 20 0 EGADLP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554349 1333573178 /nfs/dbraw/zinc/57/31/78/1333573178.db2.gz UTVAXCXPWFTPDT-INIZCTEOSA-N 2 2 328.460 3.290 20 0 EGADLP C[C@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554382 1333573599 /nfs/dbraw/zinc/57/35/99/1333573599.db2.gz VCXAMXUXDTZNQB-GOEBONIOSA-N 2 2 346.450 3.238 20 0 EGADLP C[C@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554382 1333573603 /nfs/dbraw/zinc/57/36/03/1333573603.db2.gz VCXAMXUXDTZNQB-GOEBONIOSA-N 2 2 346.450 3.238 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948615798 1333597288 /nfs/dbraw/zinc/59/72/88/1333597288.db2.gz CCNCXNQIGGCCDI-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948615798 1333597291 /nfs/dbraw/zinc/59/72/91/1333597291.db2.gz CCNCXNQIGGCCDI-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948617113 1333597967 /nfs/dbraw/zinc/59/79/67/1333597967.db2.gz NHTBTCGYTXROKM-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948617113 1333597974 /nfs/dbraw/zinc/59/79/74/1333597974.db2.gz NHTBTCGYTXROKM-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948618012 1333599085 /nfs/dbraw/zinc/59/90/85/1333599085.db2.gz ZKBCFNRLYVEZES-QGZVFWFLSA-N 2 2 340.471 3.227 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948618012 1333599087 /nfs/dbraw/zinc/59/90/87/1333599087.db2.gz ZKBCFNRLYVEZES-QGZVFWFLSA-N 2 2 340.471 3.227 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949118033 1333780174 /nfs/dbraw/zinc/78/01/74/1333780174.db2.gz WWJGTFXIBGURTI-KRWDZBQOSA-N 2 2 348.450 3.162 20 0 EGADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950047639 1334001959 /nfs/dbraw/zinc/00/19/59/1334001959.db2.gz ALJITBGGIZIVFK-FXAWDEMLSA-N 2 2 343.515 3.153 20 0 EGADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950047639 1334001963 /nfs/dbraw/zinc/00/19/63/1334001963.db2.gz ALJITBGGIZIVFK-FXAWDEMLSA-N 2 2 343.515 3.153 20 0 EGADLP C[C@H](F)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920824 1336089960 /nfs/dbraw/zinc/08/99/60/1336089960.db2.gz ZFOGPAITKDXXIO-GOEBONIOSA-N 2 2 346.450 3.285 20 0 EGADLP C[C@H](F)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920824 1336089963 /nfs/dbraw/zinc/08/99/63/1336089963.db2.gz ZFOGPAITKDXXIO-GOEBONIOSA-N 2 2 346.450 3.285 20 0 EGADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)c1c[nH+]c[nH]1 ZINC000970483759 1336311829 /nfs/dbraw/zinc/31/18/29/1336311829.db2.gz BJFLTNFHOHGOSW-MRXNPFEDSA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005579035 1336374719 /nfs/dbraw/zinc/37/47/19/1336374719.db2.gz ISSWAMPWRVYWME-UHFFFAOYSA-N 2 2 348.535 3.286 20 0 EGADLP CN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006472098 1336513402 /nfs/dbraw/zinc/51/34/02/1336513402.db2.gz COOJOYNZFVVQHJ-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523779 1337032979 /nfs/dbraw/zinc/03/29/79/1337032979.db2.gz LZYYVCUPPBLARH-YJBOKZPZSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523779 1337032982 /nfs/dbraw/zinc/03/29/82/1337032982.db2.gz LZYYVCUPPBLARH-YJBOKZPZSA-N 2 2 349.906 3.077 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805264 1371175044 /nfs/dbraw/zinc/17/50/44/1371175044.db2.gz BAUHKTGFVWVRHB-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805264 1371175045 /nfs/dbraw/zinc/17/50/45/1371175045.db2.gz BAUHKTGFVWVRHB-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941962 1337960921 /nfs/dbraw/zinc/96/09/21/1337960921.db2.gz QPLVGNQKBALFJJ-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941962 1337960924 /nfs/dbraw/zinc/96/09/24/1337960924.db2.gz QPLVGNQKBALFJJ-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015937670 1338366603 /nfs/dbraw/zinc/36/66/03/1338366603.db2.gz GZABDXNRDYVYHF-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015937670 1338366607 /nfs/dbraw/zinc/36/66/07/1338366607.db2.gz GZABDXNRDYVYHF-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC23CC[NH+](CC[C@H](C)F)CC3)c(C)[nH+]1 ZINC001016742574 1338709304 /nfs/dbraw/zinc/70/93/04/1338709304.db2.gz LUGZLAFKVGTXJG-WMLDXEAASA-N 2 2 347.478 3.339 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221972 1338961640 /nfs/dbraw/zinc/96/16/40/1338961640.db2.gz KJSPBIBZWVKKKD-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221972 1338961644 /nfs/dbraw/zinc/96/16/44/1338961644.db2.gz KJSPBIBZWVKKKD-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001017241676 1338973546 /nfs/dbraw/zinc/97/35/46/1338973546.db2.gz VUQSUQSJYGKAIV-KRWDZBQOSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001017241676 1338973548 /nfs/dbraw/zinc/97/35/48/1338973548.db2.gz VUQSUQSJYGKAIV-KRWDZBQOSA-N 2 2 340.471 3.065 20 0 EGADLP O=C(NC[C@H]1CC[N@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028631125 1340734991 /nfs/dbraw/zinc/73/49/91/1340734991.db2.gz AKPMOGSRTBRQKK-MRXNPFEDSA-N 2 2 338.455 3.115 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028631125 1340734992 /nfs/dbraw/zinc/73/49/92/1340734992.db2.gz AKPMOGSRTBRQKK-MRXNPFEDSA-N 2 2 338.455 3.115 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001029091529 1340928478 /nfs/dbraw/zinc/92/84/78/1340928478.db2.gz LMWBPTVFMGTSKK-INIZCTEOSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854915 1341096318 /nfs/dbraw/zinc/09/63/18/1341096318.db2.gz BKPIMPUZXXJHJM-IEBWSBKVSA-N 2 2 344.503 3.115 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854915 1341096319 /nfs/dbraw/zinc/09/63/19/1341096319.db2.gz BKPIMPUZXXJHJM-IEBWSBKVSA-N 2 2 344.503 3.115 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)c1 ZINC001031049957 1341270218 /nfs/dbraw/zinc/27/02/18/1341270218.db2.gz UPRGINLRCIFTNM-QZTJIDSGSA-N 2 2 343.515 3.121 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCCC1)n1cc[nH+]c1 ZINC001032657146 1341572485 /nfs/dbraw/zinc/57/24/85/1341572485.db2.gz YTFILNFGEYXMFF-WDSOQIARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCCC1)n1cc[nH+]c1 ZINC001032657146 1341572486 /nfs/dbraw/zinc/57/24/86/1341572486.db2.gz YTFILNFGEYXMFF-WDSOQIARSA-N 2 2 344.503 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391566 1342461435 /nfs/dbraw/zinc/46/14/35/1342461435.db2.gz MZORRLSKEFMYSZ-IAGOWNOFSA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391566 1342461439 /nfs/dbraw/zinc/46/14/39/1342461439.db2.gz MZORRLSKEFMYSZ-IAGOWNOFSA-N 2 2 346.519 3.237 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036543675 1343546661 /nfs/dbraw/zinc/54/66/61/1343546661.db2.gz VQIMAYPZOOIADB-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001037043539 1343945550 /nfs/dbraw/zinc/94/55/50/1343945550.db2.gz QFESPCFGJCNIJM-MSOLQXFVSA-N 2 2 348.450 3.023 20 0 EGADLP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037209505 1344044118 /nfs/dbraw/zinc/04/41/18/1344044118.db2.gz CCPSXGUWTANKCB-WBVHZDCISA-N 2 2 340.471 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC2)c(C)[nH+]1 ZINC001037218323 1344050204 /nfs/dbraw/zinc/05/02/04/1344050204.db2.gz XQFGUWCBSKMANY-MSOLQXFVSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037828425 1344122431 /nfs/dbraw/zinc/12/24/31/1344122431.db2.gz OZNYIWDHSHCESE-MSOLQXFVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037830467 1344123473 /nfs/dbraw/zinc/12/34/73/1344123473.db2.gz VEKXXUMNAVXEMG-ZWKOTPCHSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001037923474 1344183340 /nfs/dbraw/zinc/18/33/40/1344183340.db2.gz BEUAWOLGISITSS-PKOBYXMFSA-N 2 2 344.503 3.059 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415344 1344417956 /nfs/dbraw/zinc/41/79/56/1344417956.db2.gz HFCRZHZUMNANKE-OXQOHEQNSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1[C@@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415344 1344417960 /nfs/dbraw/zinc/41/79/60/1344417960.db2.gz HFCRZHZUMNANKE-OXQOHEQNSA-N 2 2 346.434 3.055 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415701 1344419009 /nfs/dbraw/zinc/41/90/09/1344419009.db2.gz ISERDYOLAOGIHR-YJBOKZPZSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@H](C)[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415701 1344419010 /nfs/dbraw/zinc/41/90/10/1344419010.db2.gz ISERDYOLAOGIHR-YJBOKZPZSA-N 2 2 348.450 3.437 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208639 1344921548 /nfs/dbraw/zinc/92/15/48/1344921548.db2.gz FUJIJIKRIUEZKJ-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208639 1344921553 /nfs/dbraw/zinc/92/15/53/1344921553.db2.gz FUJIJIKRIUEZKJ-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208639 1344921554 /nfs/dbraw/zinc/92/15/54/1344921554.db2.gz FUJIJIKRIUEZKJ-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208639 1344921558 /nfs/dbraw/zinc/92/15/58/1344921558.db2.gz FUJIJIKRIUEZKJ-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236807 1344959036 /nfs/dbraw/zinc/95/90/36/1344959036.db2.gz CUTIFAJZCMRXKE-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236807 1344959040 /nfs/dbraw/zinc/95/90/40/1344959040.db2.gz CUTIFAJZCMRXKE-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253272 1344984877 /nfs/dbraw/zinc/98/48/77/1344984877.db2.gz CAWNQLXIIXQMRQ-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253272 1344984879 /nfs/dbraw/zinc/98/48/79/1344984879.db2.gz CAWNQLXIIXQMRQ-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001042848143 1346121141 /nfs/dbraw/zinc/12/11/41/1346121141.db2.gz LZSSFAIIFXXPST-FXAWDEMLSA-N 2 2 343.515 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001042848143 1346121142 /nfs/dbraw/zinc/12/11/42/1346121142.db2.gz LZSSFAIIFXXPST-FXAWDEMLSA-N 2 2 343.515 3.073 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001044006921 1346233367 /nfs/dbraw/zinc/23/33/67/1346233367.db2.gz YSDGYRWHBQYNLX-YLJYHZDGSA-N 2 2 343.515 3.153 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001044006921 1346233370 /nfs/dbraw/zinc/23/33/70/1346233370.db2.gz YSDGYRWHBQYNLX-YLJYHZDGSA-N 2 2 343.515 3.153 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579459 1346373603 /nfs/dbraw/zinc/37/36/03/1346373603.db2.gz HEGVMEVALZQOKI-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044695767 1346405716 /nfs/dbraw/zinc/40/57/16/1346405716.db2.gz YHHBWPFPGQCHOQ-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044757923 1346421837 /nfs/dbraw/zinc/42/18/37/1346421837.db2.gz WTOMZCYUOJHALW-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001044843019 1346442802 /nfs/dbraw/zinc/44/28/02/1346442802.db2.gz SXQRHGIPFZEQRP-MAUKXSAKSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C)CC[N@H+](CC4CCCC4)C3)ccn12 ZINC001046314356 1346931403 /nfs/dbraw/zinc/93/14/03/1346931403.db2.gz HVAMZTOKKPMVAP-FQEVSTJZSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C)CC[N@@H+](CC4CCCC4)C3)ccn12 ZINC001046314356 1346931404 /nfs/dbraw/zinc/93/14/04/1346931404.db2.gz HVAMZTOKKPMVAP-FQEVSTJZSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001048051940 1347453309 /nfs/dbraw/zinc/45/33/09/1347453309.db2.gz ZSECKUJMARBPBD-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554004 1347906094 /nfs/dbraw/zinc/90/60/94/1347906094.db2.gz YSUXSBABCMAKON-KYNGSXCRSA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554004 1347906097 /nfs/dbraw/zinc/90/60/97/1347906097.db2.gz YSUXSBABCMAKON-KYNGSXCRSA-N 2 2 340.471 3.288 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049554019 1347906370 /nfs/dbraw/zinc/90/63/70/1347906370.db2.gz YVBNCDZDKOIGIL-RTBURBONSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049554019 1347906374 /nfs/dbraw/zinc/90/63/74/1347906374.db2.gz YVBNCDZDKOIGIL-RTBURBONSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)c1cccc2[nH+]ccn21 ZINC001050344539 1348232995 /nfs/dbraw/zinc/23/29/95/1348232995.db2.gz NGGTWBLSMDYNKS-QAQDUYKDSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@H+](CCC4CC4)CC3)ccn12 ZINC001052379978 1348536495 /nfs/dbraw/zinc/53/64/95/1348536495.db2.gz SWDVTRDAXCSECG-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@@H+](CCC4CC4)CC3)ccn12 ZINC001052379978 1348536496 /nfs/dbraw/zinc/53/64/96/1348536496.db2.gz SWDVTRDAXCSECG-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052462025 1348547188 /nfs/dbraw/zinc/54/71/88/1348547188.db2.gz FJVMTUBCPNHGMH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052462025 1348547190 /nfs/dbraw/zinc/54/71/90/1348547190.db2.gz FJVMTUBCPNHGMH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052462025 1348547192 /nfs/dbraw/zinc/54/71/92/1348547192.db2.gz FJVMTUBCPNHGMH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052462025 1348547193 /nfs/dbraw/zinc/54/71/93/1348547193.db2.gz FJVMTUBCPNHGMH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490935 1348555825 /nfs/dbraw/zinc/55/58/25/1348555825.db2.gz XCWGXQWQJCULMI-SFHVURJKSA-N 2 2 347.503 3.040 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490935 1348555827 /nfs/dbraw/zinc/55/58/27/1348555827.db2.gz XCWGXQWQJCULMI-SFHVURJKSA-N 2 2 347.503 3.040 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700460 1348640029 /nfs/dbraw/zinc/64/00/29/1348640029.db2.gz MMXFPGYCBFPKER-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700460 1348640031 /nfs/dbraw/zinc/64/00/31/1348640031.db2.gz MMXFPGYCBFPKER-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970819 1348780409 /nfs/dbraw/zinc/78/04/09/1348780409.db2.gz YOYFIPLJPBXFLA-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970819 1348780415 /nfs/dbraw/zinc/78/04/15/1348780415.db2.gz YOYFIPLJPBXFLA-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205166 1349206929 /nfs/dbraw/zinc/20/69/29/1349206929.db2.gz LVYSJWLPTUIVGJ-UYAOXDASSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205166 1349206930 /nfs/dbraw/zinc/20/69/30/1349206930.db2.gz LVYSJWLPTUIVGJ-UYAOXDASSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050297 1376928037 /nfs/dbraw/zinc/92/80/37/1376928037.db2.gz HKTVWGZEISEWCR-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]Cc2ccccc2)C2CC2)c(C)[nH+]1 ZINC001323036301 1387272596 /nfs/dbraw/zinc/27/25/96/1387272596.db2.gz SNBSNMAENBMZTE-IBGZPJMESA-N 2 2 337.467 3.305 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072028595 1355089628 /nfs/dbraw/zinc/08/96/28/1355089628.db2.gz APHJLLMFPPIQBM-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072028595 1355089630 /nfs/dbraw/zinc/08/96/30/1355089630.db2.gz APHJLLMFPPIQBM-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072029759 1355091477 /nfs/dbraw/zinc/09/14/77/1355091477.db2.gz JNTQPLLCUZPFFR-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001072029759 1355091480 /nfs/dbraw/zinc/09/14/80/1355091480.db2.gz JNTQPLLCUZPFFR-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP CC1(C)CC(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001086401527 1359087816 /nfs/dbraw/zinc/08/78/16/1359087816.db2.gz HBCSTESPJLRYOG-SAZUREKKSA-N 2 2 340.471 3.097 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124440 1359765041 /nfs/dbraw/zinc/76/50/41/1359765041.db2.gz MGWWQQYBXCNFSR-KURKYZTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124440 1359765045 /nfs/dbraw/zinc/76/50/45/1359765045.db2.gz MGWWQQYBXCNFSR-KURKYZTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088396902 1359872713 /nfs/dbraw/zinc/87/27/13/1359872713.db2.gz UMRDRMBDRVVCKQ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088396902 1359872715 /nfs/dbraw/zinc/87/27/15/1359872715.db2.gz UMRDRMBDRVVCKQ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702938 1387423787 /nfs/dbraw/zinc/42/37/87/1387423787.db2.gz KNGNORIOLNRUEW-MSOLQXFVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702938 1387423788 /nfs/dbraw/zinc/42/37/88/1387423788.db2.gz KNGNORIOLNRUEW-MSOLQXFVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccnc2N(C)C)C1 ZINC001323702938 1387423789 /nfs/dbraw/zinc/42/37/89/1387423789.db2.gz KNGNORIOLNRUEW-MSOLQXFVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC001323702938 1387423790 /nfs/dbraw/zinc/42/37/90/1387423790.db2.gz KNGNORIOLNRUEW-MSOLQXFVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184273194 1387421833 /nfs/dbraw/zinc/42/18/33/1387421833.db2.gz JPTFBAIFNHLABK-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095414444 1362132478 /nfs/dbraw/zinc/13/24/78/1362132478.db2.gz YCVZEZNBETXVMP-NBMRYCAZSA-N 2 2 340.471 3.024 20 0 EGADLP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095414444 1362132480 /nfs/dbraw/zinc/13/24/80/1362132480.db2.gz YCVZEZNBETXVMP-NBMRYCAZSA-N 2 2 340.471 3.024 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309845 1363741977 /nfs/dbraw/zinc/74/19/77/1363741977.db2.gz GBYPDMQXQKEDJZ-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309845 1363741979 /nfs/dbraw/zinc/74/19/79/1363741979.db2.gz GBYPDMQXQKEDJZ-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310332 1363743034 /nfs/dbraw/zinc/74/30/34/1363743034.db2.gz JVRXJCVQJYJRNV-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099310332 1363743035 /nfs/dbraw/zinc/74/30/35/1363743035.db2.gz JVRXJCVQJYJRNV-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100427759 1364109708 /nfs/dbraw/zinc/10/97/08/1364109708.db2.gz GPZUMHCTBSRANR-MZCYRKOTSA-N 2 2 346.519 3.311 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001101061961 1364397096 /nfs/dbraw/zinc/39/70/96/1364397096.db2.gz YNFZHHJEZDFXGS-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414786 1365044748 /nfs/dbraw/zinc/04/47/48/1365044748.db2.gz NXLPVEYSVIZVCI-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414786 1365044750 /nfs/dbraw/zinc/04/47/50/1365044750.db2.gz NXLPVEYSVIZVCI-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145054 1365407400 /nfs/dbraw/zinc/40/74/00/1365407400.db2.gz COGFJKREAUJRPL-HZPDHXFCSA-N 2 2 340.471 3.217 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145054 1365407405 /nfs/dbraw/zinc/40/74/05/1365407405.db2.gz COGFJKREAUJRPL-HZPDHXFCSA-N 2 2 340.471 3.217 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224259 1365443669 /nfs/dbraw/zinc/44/36/69/1365443669.db2.gz RYZAUZURVPVBCO-BRWVUGGUSA-N 2 2 342.487 3.068 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224259 1365443672 /nfs/dbraw/zinc/44/36/72/1365443672.db2.gz RYZAUZURVPVBCO-BRWVUGGUSA-N 2 2 342.487 3.068 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479969 1365587455 /nfs/dbraw/zinc/58/74/55/1365587455.db2.gz WTPPRTVNVPCQRD-CEXWTWQISA-N 2 2 348.535 3.489 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479969 1365587459 /nfs/dbraw/zinc/58/74/59/1365587459.db2.gz WTPPRTVNVPCQRD-CEXWTWQISA-N 2 2 348.535 3.489 20 0 EGADLP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105572560 1366539109 /nfs/dbraw/zinc/53/91/09/1366539109.db2.gz VPQWPFGCBXKUSH-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106309944 1366649437 /nfs/dbraw/zinc/64/94/37/1366649437.db2.gz IFZIXNGYURAPIP-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318285 1366651457 /nfs/dbraw/zinc/65/14/57/1366651457.db2.gz CWEHVHJAXVLLPQ-NVXWUHKLSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419798 1366690032 /nfs/dbraw/zinc/69/00/32/1366690032.db2.gz VDOPTTYWOVLWIQ-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CCC3CC3)[C@H](C)C2)c(C)[nH+]1 ZINC001106455482 1366701290 /nfs/dbraw/zinc/70/12/90/1366701290.db2.gz VTDXYFOGCGOZLG-RDTXWAMCSA-N 2 2 329.488 3.105 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710314 1366777550 /nfs/dbraw/zinc/77/75/50/1366777550.db2.gz GBUGCHZFPYLUMV-ZRAQOITDSA-N 2 2 346.519 3.265 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491855 1366992041 /nfs/dbraw/zinc/99/20/41/1366992041.db2.gz NXJXKOPPISLEDQ-UYAOXDASSA-N 2 2 346.519 3.214 20 0 EGADLP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491855 1366992044 /nfs/dbraw/zinc/99/20/44/1366992044.db2.gz NXJXKOPPISLEDQ-UYAOXDASSA-N 2 2 346.519 3.214 20 0 EGADLP C[NH+](C)C1(CNC(=O)Nc2ccccc2C(C)(C)C)CC[NH+](C)CC1 ZINC001189599699 1367064823 /nfs/dbraw/zinc/06/48/23/1367064823.db2.gz KFZSMQDPAZBFDB-UHFFFAOYSA-N 2 2 346.519 3.132 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001109773150 1367315051 /nfs/dbraw/zinc/31/50/51/1367315051.db2.gz IAALJRGRMFHAPX-YSHGAJCASA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001109773150 1367315055 /nfs/dbraw/zinc/31/50/55/1367315055.db2.gz IAALJRGRMFHAPX-YSHGAJCASA-N 2 2 344.503 3.136 20 0 EGADLP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818124 1367357730 /nfs/dbraw/zinc/35/77/30/1367357730.db2.gz OEGASCAJGRZJAB-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818124 1367357734 /nfs/dbraw/zinc/35/77/34/1367357734.db2.gz OEGASCAJGRZJAB-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899422 1367378491 /nfs/dbraw/zinc/37/84/91/1367378491.db2.gz JUMVLOGEBATIFD-WMZOPIPTSA-N 2 2 348.535 3.142 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899422 1367378494 /nfs/dbraw/zinc/37/84/94/1367378494.db2.gz JUMVLOGEBATIFD-WMZOPIPTSA-N 2 2 348.535 3.142 20 0 EGADLP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933850 1367386184 /nfs/dbraw/zinc/38/61/84/1367386184.db2.gz LZXDOZQOPWJIBQ-INIZCTEOSA-N 2 2 328.460 3.290 20 0 EGADLP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933850 1367386188 /nfs/dbraw/zinc/38/61/88/1367386188.db2.gz LZXDOZQOPWJIBQ-INIZCTEOSA-N 2 2 328.460 3.290 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191319770 1367475893 /nfs/dbraw/zinc/47/58/93/1367475893.db2.gz JWLVAUNVUWQFPJ-MRXNPFEDSA-N 2 2 342.487 3.307 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191319770 1367475895 /nfs/dbraw/zinc/47/58/95/1367475895.db2.gz JWLVAUNVUWQFPJ-MRXNPFEDSA-N 2 2 342.487 3.307 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268357 1368219391 /nfs/dbraw/zinc/21/93/91/1368219391.db2.gz GWSZFUFWSJUUMY-FBBABVLZSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268357 1368219393 /nfs/dbraw/zinc/21/93/93/1368219393.db2.gz GWSZFUFWSJUUMY-FBBABVLZSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268357 1368219395 /nfs/dbraw/zinc/21/93/95/1368219395.db2.gz GWSZFUFWSJUUMY-FBBABVLZSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268357 1368219396 /nfs/dbraw/zinc/21/93/96/1368219396.db2.gz GWSZFUFWSJUUMY-FBBABVLZSA-N 2 2 344.499 3.172 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001196242967 1368574758 /nfs/dbraw/zinc/57/47/58/1368574758.db2.gz RPILXKULTKPJJE-ACBHZAAOSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001196242967 1368574760 /nfs/dbraw/zinc/57/47/60/1368574760.db2.gz RPILXKULTKPJJE-ACBHZAAOSA-N 2 2 346.519 3.051 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268186 1368579986 /nfs/dbraw/zinc/57/99/86/1368579986.db2.gz CGVXTBQSMVCPET-BQYQJAHWSA-N 2 2 346.519 3.207 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268186 1368579991 /nfs/dbraw/zinc/57/99/91/1368579991.db2.gz CGVXTBQSMVCPET-BQYQJAHWSA-N 2 2 346.519 3.207 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001112901908 1369081270 /nfs/dbraw/zinc/08/12/70/1369081270.db2.gz AZBQYAVPIKBQRA-UHFFFAOYSA-N 2 2 337.533 3.148 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1)n1cc[nH+]c1 ZINC001112991203 1369125938 /nfs/dbraw/zinc/12/59/38/1369125938.db2.gz GPSMRMCOTZMXPB-SFHVURJKSA-N 2 2 346.519 3.051 20 0 EGADLP CCc1cnc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC001200094813 1369314965 /nfs/dbraw/zinc/31/49/65/1369314965.db2.gz DUGMJTDSDMYESQ-QGZVFWFLSA-N 2 2 329.513 3.360 20 0 EGADLP CCc1cnc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC001200094813 1369314971 /nfs/dbraw/zinc/31/49/71/1369314971.db2.gz DUGMJTDSDMYESQ-QGZVFWFLSA-N 2 2 329.513 3.360 20 0 EGADLP CCc1cccc(C[NH+]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)c1 ZINC001113336452 1369357497 /nfs/dbraw/zinc/35/74/97/1369357497.db2.gz CBCDDNUXOZOGCS-HXUWFJFHSA-N 2 2 345.531 3.014 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC([NH2+]CCC(C)(C)C)CC3)ccn12 ZINC001200571101 1369391785 /nfs/dbraw/zinc/39/17/85/1369391785.db2.gz OZXVLFMCCJYKME-UHFFFAOYSA-N 2 2 342.487 3.273 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113399214 1369398789 /nfs/dbraw/zinc/39/87/89/1369398789.db2.gz UXPKETJDVHQDQN-VOTSOKGWSA-N 2 2 346.519 3.287 20 0 EGADLP CC(C)CCC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201260131 1369505793 /nfs/dbraw/zinc/50/57/93/1369505793.db2.gz LBWYKLZXSFKERK-UHFFFAOYSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(C(N)=O)cc2)c(C)c1 ZINC001201600122 1369586804 /nfs/dbraw/zinc/58/68/04/1369586804.db2.gz HIHACIGZLOWQGK-HXUWFJFHSA-N 2 2 348.450 3.130 20 0 EGADLP CCCCC[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201744868 1369615781 /nfs/dbraw/zinc/61/57/81/1369615781.db2.gz PQHZLVNNUQJKDY-INIZCTEOSA-N 2 2 339.524 3.240 20 0 EGADLP CCCCC[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201744868 1369615784 /nfs/dbraw/zinc/61/57/84/1369615784.db2.gz PQHZLVNNUQJKDY-INIZCTEOSA-N 2 2 339.524 3.240 20 0 EGADLP COc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203432318 1370123323 /nfs/dbraw/zinc/12/33/23/1370123323.db2.gz PGHVMJTWDXIMFW-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1ccccc1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203432318 1370123329 /nfs/dbraw/zinc/12/33/29/1370123329.db2.gz PGHVMJTWDXIMFW-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1ccccc1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203432318 1370123332 /nfs/dbraw/zinc/12/33/32/1370123332.db2.gz PGHVMJTWDXIMFW-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001203432318 1370123334 /nfs/dbraw/zinc/12/33/34/1370123334.db2.gz PGHVMJTWDXIMFW-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP CC[N@H+](Cc1cc(Br)ccc1OC)C1CC[NH+](C)CC1 ZINC001203779365 1370260962 /nfs/dbraw/zinc/26/09/62/1370260962.db2.gz SFLRRUJGBJRATO-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[N@@H+](Cc1cc(Br)ccc1OC)C1CC[NH+](C)CC1 ZINC001203779365 1370260965 /nfs/dbraw/zinc/26/09/65/1370260965.db2.gz SFLRRUJGBJRATO-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Fc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001203784547 1370262760 /nfs/dbraw/zinc/26/27/60/1370262760.db2.gz GPPLIMQLHFVPSG-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814559 1370274261 /nfs/dbraw/zinc/27/42/61/1370274261.db2.gz KUCGEZSOKXUXST-QZTJIDSGSA-N 2 2 346.519 3.117 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001204041246 1370357067 /nfs/dbraw/zinc/35/70/67/1370357067.db2.gz AZNFAGFCKMCFSG-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP CSc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204138120 1370387518 /nfs/dbraw/zinc/38/75/18/1370387518.db2.gz CZYGPPHQCWYPJP-KDURUIRLSA-N 2 2 339.508 3.367 20 0 EGADLP CSc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204138120 1370387523 /nfs/dbraw/zinc/38/75/23/1370387523.db2.gz CZYGPPHQCWYPJP-KDURUIRLSA-N 2 2 339.508 3.367 20 0 EGADLP CSc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204138120 1370387527 /nfs/dbraw/zinc/38/75/27/1370387527.db2.gz CZYGPPHQCWYPJP-KDURUIRLSA-N 2 2 339.508 3.367 20 0 EGADLP CSc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204138120 1370387531 /nfs/dbraw/zinc/38/75/31/1370387531.db2.gz CZYGPPHQCWYPJP-KDURUIRLSA-N 2 2 339.508 3.367 20 0 EGADLP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)co1 ZINC001204241685 1370419936 /nfs/dbraw/zinc/41/99/36/1370419936.db2.gz LCTUUBQNFTYMRH-SFTDATJTSA-N 2 2 344.499 3.240 20 0 EGADLP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)co1 ZINC001204241685 1370419938 /nfs/dbraw/zinc/41/99/38/1370419938.db2.gz LCTUUBQNFTYMRH-SFTDATJTSA-N 2 2 344.499 3.240 20 0 EGADLP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)co1 ZINC001204241685 1370419939 /nfs/dbraw/zinc/41/99/39/1370419939.db2.gz LCTUUBQNFTYMRH-SFTDATJTSA-N 2 2 344.499 3.240 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)co1 ZINC001204241685 1370419940 /nfs/dbraw/zinc/41/99/40/1370419940.db2.gz LCTUUBQNFTYMRH-SFTDATJTSA-N 2 2 344.499 3.240 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001204361951 1370453074 /nfs/dbraw/zinc/45/30/74/1370453074.db2.gz NNAFHMWZVGBYGH-KRWDZBQOSA-N 2 2 342.439 3.451 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001204361951 1370453080 /nfs/dbraw/zinc/45/30/80/1370453080.db2.gz NNAFHMWZVGBYGH-KRWDZBQOSA-N 2 2 342.439 3.451 20 0 EGADLP CC(C)c1cc(Br)ccc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204755259 1370567609 /nfs/dbraw/zinc/56/76/09/1370567609.db2.gz FADMFJCMUGSRQH-HNNXBMFYSA-N 2 2 341.293 3.122 20 0 EGADLP CC(C)c1cc(Br)ccc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC001204755259 1370567613 /nfs/dbraw/zinc/56/76/13/1370567613.db2.gz FADMFJCMUGSRQH-HNNXBMFYSA-N 2 2 341.293 3.122 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580929 1370583347 /nfs/dbraw/zinc/58/33/47/1370583347.db2.gz WLXABOMCVVXSMX-NMBNSIPYSA-N 2 2 344.503 3.278 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580929 1370583352 /nfs/dbraw/zinc/58/33/52/1370583352.db2.gz WLXABOMCVVXSMX-NMBNSIPYSA-N 2 2 344.503 3.278 20 0 EGADLP CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001204863590 1370592721 /nfs/dbraw/zinc/59/27/21/1370592721.db2.gz LQFIKFWNDMENHC-MRXNPFEDSA-N 2 2 326.481 3.325 20 0 EGADLP CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001204863590 1370592725 /nfs/dbraw/zinc/59/27/25/1370592725.db2.gz LQFIKFWNDMENHC-MRXNPFEDSA-N 2 2 326.481 3.325 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001115601592 1370601269 /nfs/dbraw/zinc/60/12/69/1370601269.db2.gz IFBCJVWBDSPLPL-QGZVFWFLSA-N 2 2 346.519 3.044 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001205016220 1370628537 /nfs/dbraw/zinc/62/85/37/1370628537.db2.gz GWWFKGMYSBQRSC-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001205016220 1370628542 /nfs/dbraw/zinc/62/85/42/1370628542.db2.gz GWWFKGMYSBQRSC-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124532 1370657907 /nfs/dbraw/zinc/65/79/07/1370657907.db2.gz ULSFBFAOHRHYQH-AWEZNQCLSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205124532 1370657913 /nfs/dbraw/zinc/65/79/13/1370657913.db2.gz ULSFBFAOHRHYQH-AWEZNQCLSA-N 2 2 327.266 3.161 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@H]3C)o2)cc1 ZINC001205326059 1370721665 /nfs/dbraw/zinc/72/16/65/1370721665.db2.gz UHICHOXZUHNGFW-OAHLLOKOSA-N 2 2 342.439 3.307 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@H]3C)o2)cc1 ZINC001205326059 1370721668 /nfs/dbraw/zinc/72/16/68/1370721668.db2.gz UHICHOXZUHNGFW-OAHLLOKOSA-N 2 2 342.439 3.307 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205781711 1370867879 /nfs/dbraw/zinc/86/78/79/1370867879.db2.gz XWKIIWLQIPKPTA-HNNXBMFYSA-N 2 2 340.414 3.058 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205781711 1370867883 /nfs/dbraw/zinc/86/78/83/1370867883.db2.gz XWKIIWLQIPKPTA-HNNXBMFYSA-N 2 2 340.414 3.058 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Oc3cccnc3)cc2)CCC1(F)F ZINC001205787365 1370869998 /nfs/dbraw/zinc/86/99/98/1370869998.db2.gz GEHZXEBTSWZWIZ-OAHLLOKOSA-N 2 2 333.382 3.290 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CCC1(F)F ZINC001205787365 1370870006 /nfs/dbraw/zinc/87/00/06/1370870006.db2.gz GEHZXEBTSWZWIZ-OAHLLOKOSA-N 2 2 333.382 3.290 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)nc2)CCC1(F)F ZINC001205788802 1370871113 /nfs/dbraw/zinc/87/11/13/1370871113.db2.gz RRBXYHOENMJFTJ-CQSZACIVSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CCC1(F)F ZINC001205788802 1370871117 /nfs/dbraw/zinc/87/11/17/1370871117.db2.gz RRBXYHOENMJFTJ-CQSZACIVSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccnc3c(Cl)cccc23)CCC1(F)F ZINC001205788786 1370871295 /nfs/dbraw/zinc/87/12/95/1370871295.db2.gz RJLMCFSISPSFCM-LBPRGKRZSA-N 2 2 325.790 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc3c(Cl)cccc23)CCC1(F)F ZINC001205788786 1370871300 /nfs/dbraw/zinc/87/13/00/1370871300.db2.gz RJLMCFSISPSFCM-LBPRGKRZSA-N 2 2 325.790 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)CCC1(F)F ZINC001205795665 1370874894 /nfs/dbraw/zinc/87/48/94/1370874894.db2.gz KAWOLUPYKRCRMZ-OAHLLOKOSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CCC1(F)F ZINC001205795665 1370874897 /nfs/dbraw/zinc/87/48/97/1370874897.db2.gz KAWOLUPYKRCRMZ-OAHLLOKOSA-N 2 2 335.373 3.304 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Br ZINC001205923934 1370912787 /nfs/dbraw/zinc/91/27/87/1370912787.db2.gz QLMKUNGINRAWNW-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1Br ZINC001205923934 1370912792 /nfs/dbraw/zinc/91/27/92/1370912792.db2.gz QLMKUNGINRAWNW-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Br ZINC001205923931 1370913174 /nfs/dbraw/zinc/91/31/74/1370913174.db2.gz QLMKUNGINRAWNW-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1Br ZINC001205923931 1370913181 /nfs/dbraw/zinc/91/31/81/1370913181.db2.gz QLMKUNGINRAWNW-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001205932511 1370915581 /nfs/dbraw/zinc/91/55/81/1370915581.db2.gz KZJQBFCTSRIEBC-BBTUJRGHSA-N 2 2 332.532 3.456 20 0 EGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001205932511 1370915584 /nfs/dbraw/zinc/91/55/84/1370915584.db2.gz KZJQBFCTSRIEBC-BBTUJRGHSA-N 2 2 332.532 3.456 20 0 EGADLP COc1ccc2c(c1)[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CC2 ZINC001116772337 1370970994 /nfs/dbraw/zinc/97/09/94/1370970994.db2.gz RHTCOYXJLIPCPR-MRXNPFEDSA-N 2 2 348.406 3.253 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206174094 1370980394 /nfs/dbraw/zinc/98/03/94/1370980394.db2.gz LXTQWVJQRDEDCE-NWDGAFQWSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206174094 1370980398 /nfs/dbraw/zinc/98/03/98/1370980398.db2.gz LXTQWVJQRDEDCE-NWDGAFQWSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2cc(F)c(Br)cc2F)CC1 ZINC001206499845 1371074062 /nfs/dbraw/zinc/07/40/62/1371074062.db2.gz FAHGXQXSAWNMCN-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)[C@H](C)n2cc[nH+]c2)[NH+](CC)CC)cc1 ZINC001117790631 1371085135 /nfs/dbraw/zinc/08/51/35/1371085135.db2.gz CTTRSDNWGJPMEH-QFBILLFUSA-N 2 2 342.487 3.206 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541762 1371087796 /nfs/dbraw/zinc/08/77/96/1371087796.db2.gz JRWLRFCQHVEJIX-LEWJYISDSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541762 1371087799 /nfs/dbraw/zinc/08/77/99/1371087799.db2.gz JRWLRFCQHVEJIX-LEWJYISDSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@]1(C[NH3+])CCCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541762 1371087802 /nfs/dbraw/zinc/08/78/02/1371087802.db2.gz JRWLRFCQHVEJIX-LEWJYISDSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@]1(C[NH3+])CCCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541762 1371087804 /nfs/dbraw/zinc/08/78/04/1371087804.db2.gz JRWLRFCQHVEJIX-LEWJYISDSA-N 3 2 329.532 3.350 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206563684 1371094376 /nfs/dbraw/zinc/09/43/76/1371094376.db2.gz GZKRMTWMRHISLW-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206563684 1371094380 /nfs/dbraw/zinc/09/43/80/1371094380.db2.gz GZKRMTWMRHISLW-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206640875 1371116225 /nfs/dbraw/zinc/11/62/25/1371116225.db2.gz OMUJKNLBVYMOSR-CYBMUJFWSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206640875 1371116228 /nfs/dbraw/zinc/11/62/28/1371116228.db2.gz OMUJKNLBVYMOSR-CYBMUJFWSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1O ZINC001206808062 1371175654 /nfs/dbraw/zinc/17/56/54/1371175654.db2.gz JSBLMIYQTOZMQK-NWDGAFQWSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1O ZINC001206808062 1371175658 /nfs/dbraw/zinc/17/56/58/1371175658.db2.gz JSBLMIYQTOZMQK-NWDGAFQWSA-N 2 2 327.266 3.022 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](n2cncn2)C1 ZINC001118493247 1371189792 /nfs/dbraw/zinc/18/97/92/1371189792.db2.gz RKSLBEVVWWNTNP-ZAWLATJESA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](n2cncn2)C1 ZINC001118493247 1371189797 /nfs/dbraw/zinc/18/97/97/1371189797.db2.gz RKSLBEVVWWNTNP-ZAWLATJESA-N 2 2 331.508 3.004 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872393 1371198895 /nfs/dbraw/zinc/19/88/95/1371198895.db2.gz BRORRJJDYOTOCP-VOTSOKGWSA-N 2 2 346.519 3.262 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206898529 1371214875 /nfs/dbraw/zinc/21/48/75/1371214875.db2.gz VQKJKJRWKGPRBS-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC001206970719 1371252190 /nfs/dbraw/zinc/25/21/90/1371252190.db2.gz DJNOZNMWVKETST-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207007721 1371264880 /nfs/dbraw/zinc/26/48/80/1371264880.db2.gz WZOAHHLKMIHNJE-UHFFFAOYSA-N 2 2 325.456 3.274 20 0 EGADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207007721 1371264884 /nfs/dbraw/zinc/26/48/84/1371264884.db2.gz WZOAHHLKMIHNJE-UHFFFAOYSA-N 2 2 325.456 3.274 20 0 EGADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001119381348 1371326595 /nfs/dbraw/zinc/32/65/95/1371326595.db2.gz RWAYTBUXBSNIOA-QGZVFWFLSA-N 2 2 331.847 3.349 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323608 1371361369 /nfs/dbraw/zinc/36/13/69/1371361369.db2.gz VPQAXAFPVDQRHW-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323608 1371361374 /nfs/dbraw/zinc/36/13/74/1371361374.db2.gz VPQAXAFPVDQRHW-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323608 1371361378 /nfs/dbraw/zinc/36/13/78/1371361378.db2.gz VPQAXAFPVDQRHW-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323608 1371361380 /nfs/dbraw/zinc/36/13/80/1371361380.db2.gz VPQAXAFPVDQRHW-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001207345109 1371366656 /nfs/dbraw/zinc/36/66/56/1371366656.db2.gz AYXHGPSXSUFCNT-IAGOWNOFSA-N 2 2 335.442 3.271 20 0 EGADLP COc1ccc(CC[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001207476158 1371406719 /nfs/dbraw/zinc/40/67/19/1371406719.db2.gz TYIGLRDYWFCGIK-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP COc1ccc(CC[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001207476158 1371406721 /nfs/dbraw/zinc/40/67/21/1371406721.db2.gz TYIGLRDYWFCGIK-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP COc1ccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001207476158 1371406723 /nfs/dbraw/zinc/40/67/23/1371406723.db2.gz TYIGLRDYWFCGIK-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP COc1ccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001207476158 1371406726 /nfs/dbraw/zinc/40/67/26/1371406726.db2.gz TYIGLRDYWFCGIK-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](CCc3cccc(Br)c3)C[C@H]2C1 ZINC001207511437 1371420172 /nfs/dbraw/zinc/42/01/72/1371420172.db2.gz QRFNXRKFTIAWRD-HZPDHXFCSA-N 2 2 337.305 3.265 20 0 EGADLP Cc1cc(N2CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC2)nc(C)[nH+]1 ZINC001207670769 1371470748 /nfs/dbraw/zinc/47/07/48/1371470748.db2.gz KPWCQAZWIDLFFG-INIZCTEOSA-N 2 2 348.535 3.183 20 0 EGADLP C[C@@H](CCCC(C)(C)O)CC[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001207678088 1371472214 /nfs/dbraw/zinc/47/22/14/1371472214.db2.gz DJYGWZNFWSIXIY-IBGZPJMESA-N 3 2 343.600 3.159 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702959 1371479063 /nfs/dbraw/zinc/47/90/63/1371479063.db2.gz DPOYQRFULBUOJG-VKRNSVOSSA-N 2 2 340.471 3.359 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702959 1371479068 /nfs/dbraw/zinc/47/90/68/1371479068.db2.gz DPOYQRFULBUOJG-VKRNSVOSSA-N 2 2 340.471 3.359 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC001120239699 1371510879 /nfs/dbraw/zinc/51/08/79/1371510879.db2.gz BXHXVNMYRHZPBP-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440896 1371578318 /nfs/dbraw/zinc/57/83/18/1371578318.db2.gz UVYRNDSMPFBAMY-QZTJIDSGSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440896 1371578321 /nfs/dbraw/zinc/57/83/21/1371578321.db2.gz UVYRNDSMPFBAMY-QZTJIDSGSA-N 2 2 346.519 3.236 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1Cl ZINC001120591251 1371629065 /nfs/dbraw/zinc/62/90/65/1371629065.db2.gz WFENXYDIZBGBIZ-GVDBMIGSSA-N 2 2 326.843 3.119 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1Cl ZINC001120591251 1371629078 /nfs/dbraw/zinc/62/90/78/1371629078.db2.gz WFENXYDIZBGBIZ-GVDBMIGSSA-N 2 2 326.843 3.119 20 0 EGADLP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001208218439 1371657738 /nfs/dbraw/zinc/65/77/38/1371657738.db2.gz UZZNQQRGQLKNJW-MRXNPFEDSA-N 2 2 342.483 3.012 20 0 EGADLP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001208218439 1371657740 /nfs/dbraw/zinc/65/77/40/1371657740.db2.gz UZZNQQRGQLKNJW-MRXNPFEDSA-N 2 2 342.483 3.012 20 0 EGADLP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386286 1371746364 /nfs/dbraw/zinc/74/63/64/1371746364.db2.gz AZOJGDOEPSSUEK-MSOLQXFVSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386618 1371746821 /nfs/dbraw/zinc/74/68/21/1371746821.db2.gz GNUASOFFCAFRFW-MSOLQXFVSA-N 2 2 334.508 3.241 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421097 1371761814 /nfs/dbraw/zinc/76/18/14/1371761814.db2.gz VTDWWTAZTCBCQH-MRXNPFEDSA-N 2 2 328.460 3.337 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833805 1371777930 /nfs/dbraw/zinc/77/79/30/1371777930.db2.gz QRGSOYBZMOKHEN-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833805 1371777932 /nfs/dbraw/zinc/77/79/32/1371777932.db2.gz QRGSOYBZMOKHEN-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833805 1371777935 /nfs/dbraw/zinc/77/79/35/1371777935.db2.gz QRGSOYBZMOKHEN-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833805 1371777936 /nfs/dbraw/zinc/77/79/36/1371777936.db2.gz QRGSOYBZMOKHEN-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208805340 1371901654 /nfs/dbraw/zinc/90/16/54/1371901654.db2.gz CSPDNNNXCFFXMY-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CCOC(=O)c1ccc(CCC[N@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001208867931 1371925289 /nfs/dbraw/zinc/92/52/89/1371925289.db2.gz UVCSEJWHXYZQRG-UHFFFAOYSA-N 2 2 329.444 3.015 20 0 EGADLP CCOC(=O)c1ccc(CCC[N@@H+](CC)CCn2cc[nH+]c2)cc1 ZINC001208867931 1371925290 /nfs/dbraw/zinc/92/52/90/1371925290.db2.gz UVCSEJWHXYZQRG-UHFFFAOYSA-N 2 2 329.444 3.015 20 0 EGADLP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001121747812 1372068245 /nfs/dbraw/zinc/06/82/45/1372068245.db2.gz WBKNDOOJWWIANW-WWTHOCDUSA-N 2 2 344.503 3.037 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209568549 1372139150 /nfs/dbraw/zinc/13/91/50/1372139150.db2.gz NNWANSHEYOGGNC-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001209727628 1372178707 /nfs/dbraw/zinc/17/87/07/1372178707.db2.gz HGKFZWBRMQZTCT-KRWDZBQOSA-N 2 2 345.491 3.068 20 0 EGADLP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001209727628 1372178710 /nfs/dbraw/zinc/17/87/10/1372178710.db2.gz HGKFZWBRMQZTCT-KRWDZBQOSA-N 2 2 345.491 3.068 20 0 EGADLP CCC[N@H+](Cc1c[nH+]ccc1N)[C@H](C)C(=O)Nc1ccccc1C ZINC001209736705 1372180411 /nfs/dbraw/zinc/18/04/11/1372180411.db2.gz HQLSWBZKQBUQDU-OAHLLOKOSA-N 2 2 326.444 3.042 20 0 EGADLP CCC[N@@H+](Cc1c[nH+]ccc1N)[C@H](C)C(=O)Nc1ccccc1C ZINC001209736705 1372180412 /nfs/dbraw/zinc/18/04/12/1372180412.db2.gz HQLSWBZKQBUQDU-OAHLLOKOSA-N 2 2 326.444 3.042 20 0 EGADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@@H](O)C2)cc(C)c1-c1ccc(F)cc1F ZINC001210475400 1372362161 /nfs/dbraw/zinc/36/21/61/1372362161.db2.gz MVIJWCGRKRBFOQ-QGZVFWFLSA-N 2 2 346.421 3.015 20 0 EGADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@@H](O)C2)cc(C)c1-c1ccc(F)cc1F ZINC001210475400 1372362164 /nfs/dbraw/zinc/36/21/64/1372362164.db2.gz MVIJWCGRKRBFOQ-QGZVFWFLSA-N 2 2 346.421 3.015 20 0 EGADLP Cc1[nH]c2ccc(Nc3ccc(CN4CC[NH+](C)CC4)cc3)cc2[nH+]1 ZINC001213074202 1372835069 /nfs/dbraw/zinc/83/50/69/1372835069.db2.gz JAYGQKKFYFXHIG-UHFFFAOYSA-N 2 2 335.455 3.362 20 0 EGADLP Cc1[nH]c2ccc(Nc3ccc(C[NH+]4CCN(C)CC4)cc3)cc2[nH+]1 ZINC001213074202 1372835077 /nfs/dbraw/zinc/83/50/77/1372835077.db2.gz JAYGQKKFYFXHIG-UHFFFAOYSA-N 2 2 335.455 3.362 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4ccc5c(c4)C[NH2+]CC5)n3)cc2)c[nH+]1 ZINC001217382555 1373435521 /nfs/dbraw/zinc/43/55/21/1373435521.db2.gz NRZMJLAPENNRHQ-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001130001515 1373444426 /nfs/dbraw/zinc/44/44/26/1373444426.db2.gz RALADUCWTIAAHD-KRWDZBQOSA-N 2 2 348.878 3.030 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc2c(c1)CCC2 ZINC001130269048 1373481927 /nfs/dbraw/zinc/48/19/27/1373481927.db2.gz VZEOIPOOUDJLBZ-AWEZNQCLSA-N 2 2 348.450 3.132 20 0 EGADLP Cc1cc(Cl)ccc1-c1nnc([C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001217707324 1373491381 /nfs/dbraw/zinc/49/13/81/1373491381.db2.gz ZUWBPJQNCCBBPU-AWEZNQCLSA-N 2 2 332.835 3.245 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2c(C)cccc2C)c(C)[nH+]1 ZINC001131560491 1373721919 /nfs/dbraw/zinc/72/19/19/1373721919.db2.gz PYNPZOTZSFYUTP-UHFFFAOYSA-N 2 2 325.456 3.143 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H](C)c2cccc(F)c2)c(C)[nH+]1 ZINC001131565673 1373722214 /nfs/dbraw/zinc/72/22/14/1373722214.db2.gz AYYUOKQXSVFNJV-AWEZNQCLSA-N 2 2 329.419 3.227 20 0 EGADLP Fc1c(Cl)c(Br)ccc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222207702 1373820503 /nfs/dbraw/zinc/82/05/03/1373820503.db2.gz DQDXDQXTRVKUPH-UHFFFAOYSA-N 2 2 347.659 3.427 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222935566 1375028889 /nfs/dbraw/zinc/02/88/89/1375028889.db2.gz BDZWQBRBBJZTLU-QRVBRYPASA-N 2 2 346.519 3.193 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222935566 1375028892 /nfs/dbraw/zinc/02/88/92/1375028892.db2.gz BDZWQBRBBJZTLU-QRVBRYPASA-N 2 2 346.519 3.193 20 0 EGADLP O=C(NCC[NH2+]CCC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976637 1375079871 /nfs/dbraw/zinc/07/98/71/1375079871.db2.gz OKFXRINFVLRCST-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123825 1375159146 /nfs/dbraw/zinc/15/91/46/1375159146.db2.gz JXIVHOYJJCAWKS-MSOLQXFVSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123825 1375159151 /nfs/dbraw/zinc/15/91/51/1375159151.db2.gz JXIVHOYJJCAWKS-MSOLQXFVSA-N 2 2 348.535 3.332 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CC1CCCCCC1 ZINC001132221321 1375218359 /nfs/dbraw/zinc/21/83/59/1375218359.db2.gz FZJUYEBZKCSCJR-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CC1CCCCCC1 ZINC001132221321 1375218360 /nfs/dbraw/zinc/21/83/60/1375218360.db2.gz FZJUYEBZKCSCJR-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001227137997 1375395900 /nfs/dbraw/zinc/39/59/00/1375395900.db2.gz FOFZWBPNFQYBFJ-IRXDYDNUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132456782 1375399500 /nfs/dbraw/zinc/39/95/00/1375399500.db2.gz HYPPWPMQQBXUEW-IAGOWNOFSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCCC(C)(C)C ZINC001132456782 1375399504 /nfs/dbraw/zinc/39/95/04/1375399504.db2.gz HYPPWPMQQBXUEW-IAGOWNOFSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249608 1375533577 /nfs/dbraw/zinc/53/35/77/1375533577.db2.gz QJJITXXRYRZZCE-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982544 1375692908 /nfs/dbraw/zinc/69/29/08/1375692908.db2.gz SKHMINLABNKWLW-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133001648 1375703676 /nfs/dbraw/zinc/70/36/76/1375703676.db2.gz DOSWZTOSPIOIPR-KDOFPFPSSA-N 2 2 331.504 3.495 20 0 EGADLP Cc1ccc(N2CCC[C@@H](Oc3ccc4c(c3)CC[N@@H+](C)C4)C2)[nH+]c1 ZINC001228943274 1375722719 /nfs/dbraw/zinc/72/27/19/1375722719.db2.gz DUAUIBVANZIITA-HXUWFJFHSA-N 2 2 337.467 3.426 20 0 EGADLP Cc1ccc(N2CCC[C@@H](Oc3ccc4c(c3)CC[N@H+](C)C4)C2)[nH+]c1 ZINC001228943274 1375722723 /nfs/dbraw/zinc/72/27/23/1375722723.db2.gz DUAUIBVANZIITA-HXUWFJFHSA-N 2 2 337.467 3.426 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1)n1cc[nH+]c1 ZINC001229384946 1375824411 /nfs/dbraw/zinc/82/44/11/1375824411.db2.gz MPRKMXZHOWCZPN-LXPRWKDFSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133245717 1375867064 /nfs/dbraw/zinc/86/70/64/1375867064.db2.gz JSIPITOWBWMDBT-SJORKVTESA-N 2 2 348.535 3.198 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccnc2OC(C)C)CC1 ZINC001231757790 1376317348 /nfs/dbraw/zinc/31/73/48/1376317348.db2.gz FMNWKCBCUQSBBI-UHFFFAOYSA-N 2 2 340.471 3.311 20 0 EGADLP CCCOc1ncccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001231865543 1376327065 /nfs/dbraw/zinc/32/70/65/1376327065.db2.gz PVTJJYZONCSZSW-QGZVFWFLSA-N 2 2 327.428 3.227 20 0 EGADLP CCCOc1ncccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001231865543 1376327074 /nfs/dbraw/zinc/32/70/74/1376327074.db2.gz PVTJJYZONCSZSW-QGZVFWFLSA-N 2 2 327.428 3.227 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228790 1376424581 /nfs/dbraw/zinc/42/45/81/1376424581.db2.gz QNGZPQXHARFTCI-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc(F)ccc4N)C[C@@H]3C2)cc1 ZINC001232508625 1376471158 /nfs/dbraw/zinc/47/11/58/1376471158.db2.gz OPUHCEYIXJBRSS-KDURUIRLSA-N 2 2 339.458 3.280 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc(F)ccc4N)C[C@@H]3C2)cc1 ZINC001232508625 1376471161 /nfs/dbraw/zinc/47/11/61/1376471161.db2.gz OPUHCEYIXJBRSS-KDURUIRLSA-N 2 2 339.458 3.280 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc(F)ccc4N)C[C@@H]3C2)cc1 ZINC001232508625 1376471163 /nfs/dbraw/zinc/47/11/63/1376471163.db2.gz OPUHCEYIXJBRSS-KDURUIRLSA-N 2 2 339.458 3.280 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc(F)ccc4N)C[C@@H]3C2)cc1 ZINC001232508625 1376471168 /nfs/dbraw/zinc/47/11/68/1376471168.db2.gz OPUHCEYIXJBRSS-KDURUIRLSA-N 2 2 339.458 3.280 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595284 1376487148 /nfs/dbraw/zinc/48/71/48/1376487148.db2.gz DGXZZCWGFTUTNE-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595284 1376487150 /nfs/dbraw/zinc/48/71/50/1376487150.db2.gz DGXZZCWGFTUTNE-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595284 1376487154 /nfs/dbraw/zinc/48/71/54/1376487154.db2.gz DGXZZCWGFTUTNE-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595284 1376487157 /nfs/dbraw/zinc/48/71/57/1376487157.db2.gz DGXZZCWGFTUTNE-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001232603410 1376488004 /nfs/dbraw/zinc/48/80/04/1376488004.db2.gz YOJYYPFVUOFARR-UHFFFAOYSA-N 2 2 336.480 3.202 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001232603410 1376488008 /nfs/dbraw/zinc/48/80/08/1376488008.db2.gz YOJYYPFVUOFARR-UHFFFAOYSA-N 2 2 336.480 3.202 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134368913 1376496351 /nfs/dbraw/zinc/49/63/51/1376496351.db2.gz CEFMFTKZAUOPBY-ZWOPJXCPSA-N 2 2 342.487 3.486 20 0 EGADLP C[C@@H](CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)n1cc[nH+]c1 ZINC001134517694 1376574176 /nfs/dbraw/zinc/57/41/76/1376574176.db2.gz PFROYJZWLJTPDS-AOCRQIFASA-N 2 2 348.535 3.393 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545813 1376584748 /nfs/dbraw/zinc/58/47/48/1376584748.db2.gz RMXYABVNUHOVHU-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545813 1376584753 /nfs/dbraw/zinc/58/47/53/1376584753.db2.gz RMXYABVNUHOVHU-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)C)c[nH+]1 ZINC001134730011 1376682076 /nfs/dbraw/zinc/68/20/76/1376682076.db2.gz RRMKYTHLTFQPJI-HOTGVXAUSA-N 2 2 336.524 3.236 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134737030 1376688111 /nfs/dbraw/zinc/68/81/11/1376688111.db2.gz MTEKCZZWDWAAOL-LSDHHAIUSA-N 2 2 336.439 3.250 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCCCF)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741430 1376691322 /nfs/dbraw/zinc/69/13/22/1376691322.db2.gz WZESTJHYXNCNHI-ZIAGYGMSSA-N 2 2 334.439 3.189 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CCCC1 ZINC001134963850 1376813950 /nfs/dbraw/zinc/81/39/50/1376813950.db2.gz BFODPMUUHCLARS-CVEARBPZSA-N 2 2 342.487 3.401 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969230 1376818420 /nfs/dbraw/zinc/81/84/20/1376818420.db2.gz KTXTYKDAIRHPSQ-HZPDHXFCSA-N 2 2 336.439 3.021 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970859 1376819471 /nfs/dbraw/zinc/81/94/71/1376819471.db2.gz STCOAIRIDHBIIJ-LSDHHAIUSA-N 2 2 330.476 3.257 20 0 EGADLP Cc1nnc(-c2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)o1 ZINC001235046973 1376841725 /nfs/dbraw/zinc/84/17/25/1376841725.db2.gz VEZOYNRJJFQDKT-UHFFFAOYSA-N 2 2 326.444 3.105 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135057639 1376872436 /nfs/dbraw/zinc/87/24/36/1376872436.db2.gz YQELWDOTXJSSNU-IAGOWNOFSA-N 2 2 348.535 3.196 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097811 1376896282 /nfs/dbraw/zinc/89/62/82/1376896282.db2.gz QQRJTTMCKOOQHM-IAGOWNOFSA-N 2 2 340.471 3.325 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135135881 1376925353 /nfs/dbraw/zinc/92/53/53/1376925353.db2.gz CQGHURAEOAGBIM-DLBZAZTESA-N 2 2 334.508 3.117 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050297 1376928029 /nfs/dbraw/zinc/92/80/29/1376928029.db2.gz HKTVWGZEISEWCR-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001135148470 1376935232 /nfs/dbraw/zinc/93/52/32/1376935232.db2.gz NQTSVDZIBYHCJJ-ZIAGYGMSSA-N 2 2 348.516 3.025 20 0 EGADLP c1ccc(-c2[nH]c3ccccc3c2C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237140937 1376977090 /nfs/dbraw/zinc/97/70/90/1376977090.db2.gz CQFJAVBEPWOXNE-QFIPXVFZSA-N 2 2 347.462 3.399 20 0 EGADLP c1ccc(-c2[nH]c3ccccc3c2C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237140937 1376977093 /nfs/dbraw/zinc/97/70/93/1376977093.db2.gz CQFJAVBEPWOXNE-QFIPXVFZSA-N 2 2 347.462 3.399 20 0 EGADLP COCOc1c(C)cccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001244657190 1377038640 /nfs/dbraw/zinc/03/86/40/1377038640.db2.gz CFMKPTXARBLBGE-QGZVFWFLSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1c(C)cccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001244657190 1377038642 /nfs/dbraw/zinc/03/86/42/1377038642.db2.gz CFMKPTXARBLBGE-QGZVFWFLSA-N 2 2 326.440 3.178 20 0 EGADLP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+]([C@@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748579 1377054458 /nfs/dbraw/zinc/05/44/58/1377054458.db2.gz YZLTYRDEAOLTSB-OAQYLSRUSA-N 3 2 341.543 3.425 20 0 EGADLP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748579 1377054464 /nfs/dbraw/zinc/05/44/64/1377054464.db2.gz YZLTYRDEAOLTSB-OAQYLSRUSA-N 3 2 341.543 3.425 20 0 EGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)CC1 ZINC001254510002 1377105036 /nfs/dbraw/zinc/10/50/36/1377105036.db2.gz LCNDOIPCEFDQDO-QGZVFWFLSA-N 2 2 332.879 3.159 20 0 EGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)CC1 ZINC001254510002 1377105038 /nfs/dbraw/zinc/10/50/38/1377105038.db2.gz LCNDOIPCEFDQDO-QGZVFWFLSA-N 2 2 332.879 3.159 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100791 1377112833 /nfs/dbraw/zinc/11/28/33/1377112833.db2.gz FCDUAHOHEYEBQH-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100791 1377112838 /nfs/dbraw/zinc/11/28/38/1377112838.db2.gz FCDUAHOHEYEBQH-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553711 1377142485 /nfs/dbraw/zinc/14/24/85/1377142485.db2.gz VWBROCOAMAALKS-CVEARBPZSA-N 2 2 342.487 3.149 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001136031783 1377305886 /nfs/dbraw/zinc/30/58/86/1377305886.db2.gz PWWOURHDOPWCOC-GJZGRUSLSA-N 2 2 334.508 3.104 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001136970028 1377447052 /nfs/dbraw/zinc/44/70/52/1377447052.db2.gz HCICUQUOLHUZFE-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137176893 1377491101 /nfs/dbraw/zinc/49/11/01/1377491101.db2.gz VATGEDKQMNFBGR-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137176893 1377491102 /nfs/dbraw/zinc/49/11/02/1377491102.db2.gz VATGEDKQMNFBGR-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138097224 1377676423 /nfs/dbraw/zinc/67/64/23/1377676423.db2.gz MSWNTZYXJUCRIP-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138097224 1377676424 /nfs/dbraw/zinc/67/64/24/1377676424.db2.gz MSWNTZYXJUCRIP-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138097224 1377676425 /nfs/dbraw/zinc/67/64/25/1377676425.db2.gz MSWNTZYXJUCRIP-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138097224 1377676426 /nfs/dbraw/zinc/67/64/26/1377676426.db2.gz MSWNTZYXJUCRIP-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP Cn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001138380542 1377712281 /nfs/dbraw/zinc/71/22/81/1377712281.db2.gz LNEVMQWFNYZGPA-DLBZAZTESA-N 2 2 326.488 3.412 20 0 EGADLP Cn1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001138380542 1377712282 /nfs/dbraw/zinc/71/22/82/1377712282.db2.gz LNEVMQWFNYZGPA-DLBZAZTESA-N 2 2 326.488 3.412 20 0 EGADLP Cn1c2ccccc2nc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001138380542 1377712283 /nfs/dbraw/zinc/71/22/83/1377712283.db2.gz LNEVMQWFNYZGPA-DLBZAZTESA-N 2 2 326.488 3.412 20 0 EGADLP Cn1c2ccccc2nc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001138380542 1377712284 /nfs/dbraw/zinc/71/22/84/1377712284.db2.gz LNEVMQWFNYZGPA-DLBZAZTESA-N 2 2 326.488 3.412 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001138398693 1377717385 /nfs/dbraw/zinc/71/73/85/1377717385.db2.gz JAKZKVUCYXRVEQ-QZTJIDSGSA-N 2 2 346.478 3.435 20 0 EGADLP COCC[N@H+](Cc1[nH]c2ccc(F)cc2c1C)C1CC[NH+](C)CC1 ZINC001138411388 1377719060 /nfs/dbraw/zinc/71/90/60/1377719060.db2.gz AQTXERXUKUEMAS-UHFFFAOYSA-N 2 2 333.451 3.158 20 0 EGADLP COCC[N@@H+](Cc1[nH]c2ccc(F)cc2c1C)C1CC[NH+](C)CC1 ZINC001138411388 1377719061 /nfs/dbraw/zinc/71/90/61/1377719061.db2.gz AQTXERXUKUEMAS-UHFFFAOYSA-N 2 2 333.451 3.158 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC001138434403 1377723718 /nfs/dbraw/zinc/72/37/18/1377723718.db2.gz RWUZVPCWEIPFMX-UHFFFAOYSA-N 2 2 340.471 3.123 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2o1 ZINC001138823707 1377792961 /nfs/dbraw/zinc/79/29/61/1377792961.db2.gz KTXMNLNBMWMJPW-WOJBJXKFSA-N 2 2 333.435 3.392 20 0 EGADLP Cc1ccc2cc(C[N@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc2c1 ZINC001138861343 1377796300 /nfs/dbraw/zinc/79/63/00/1377796300.db2.gz CMMVSWUVTUVATO-UHFFFAOYSA-N 2 2 326.831 3.451 20 0 EGADLP Cc1ccc2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc2c1 ZINC001138861343 1377796303 /nfs/dbraw/zinc/79/63/03/1377796303.db2.gz CMMVSWUVTUVATO-UHFFFAOYSA-N 2 2 326.831 3.451 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001139015176 1377818045 /nfs/dbraw/zinc/81/80/45/1377818045.db2.gz CFTYWUQZEBSWKC-UHFFFAOYSA-N 2 2 336.361 3.126 20 0 EGADLP COCC[N@H+](Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139643712 1377924424 /nfs/dbraw/zinc/92/44/24/1377924424.db2.gz KFBMBLVMCQPDGI-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COCC[N@@H+](Cc1ccc(-c2cccnc2)cc1)C1CC[NH+](C)CC1 ZINC001139643712 1377924425 /nfs/dbraw/zinc/92/44/25/1377924425.db2.gz KFBMBLVMCQPDGI-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139760240 1377947566 /nfs/dbraw/zinc/94/75/66/1377947566.db2.gz LDOXXHCGZTYRMF-RBUKOAKNSA-N 2 2 346.515 3.266 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139760240 1377947569 /nfs/dbraw/zinc/94/75/69/1377947569.db2.gz LDOXXHCGZTYRMF-RBUKOAKNSA-N 2 2 346.515 3.266 20 0 EGADLP CCCC1CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139767353 1377948203 /nfs/dbraw/zinc/94/82/03/1377948203.db2.gz RLSSSRLYPXOLAC-UHFFFAOYSA-N 2 2 346.515 3.410 20 0 EGADLP CCN(CC[NH+]1CCCCC1)Cc1ccccc1-n1cc[nH+]c1C ZINC001140026990 1377991963 /nfs/dbraw/zinc/99/19/63/1377991963.db2.gz SSUFBVVZOIGPAY-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC001140529303 1378078836 /nfs/dbraw/zinc/07/88/36/1378078836.db2.gz JUGFWDPUEAQBEP-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC001140529303 1378078838 /nfs/dbraw/zinc/07/88/38/1378078838.db2.gz JUGFWDPUEAQBEP-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140779650 1378134153 /nfs/dbraw/zinc/13/41/53/1378134153.db2.gz VDNZCEVHTJADDE-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140779650 1378134156 /nfs/dbraw/zinc/13/41/56/1378134156.db2.gz VDNZCEVHTJADDE-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801909 1378141756 /nfs/dbraw/zinc/14/17/56/1378141756.db2.gz KOCQTDUTPKKSEY-UHFFFAOYSA-N 2 2 342.443 3.052 20 0 EGADLP CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801909 1378141762 /nfs/dbraw/zinc/14/17/62/1378141762.db2.gz KOCQTDUTPKKSEY-UHFFFAOYSA-N 2 2 342.443 3.052 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801742 1378142024 /nfs/dbraw/zinc/14/20/24/1378142024.db2.gz YXIUQVNTZFFZGR-UHFFFAOYSA-N 2 2 330.432 3.006 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801742 1378142028 /nfs/dbraw/zinc/14/20/28/1378142028.db2.gz YXIUQVNTZFFZGR-UHFFFAOYSA-N 2 2 330.432 3.006 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802368 1378142345 /nfs/dbraw/zinc/14/23/45/1378142345.db2.gz TXJXGNGVWOLCAB-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802368 1378142348 /nfs/dbraw/zinc/14/23/48/1378142348.db2.gz TXJXGNGVWOLCAB-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP CN(C[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12)C(=O)OC(C)(C)C ZINC001140805974 1378144738 /nfs/dbraw/zinc/14/47/38/1378144738.db2.gz RWJLGOSELBGIIP-OAHLLOKOSA-N 2 2 344.459 3.394 20 0 EGADLP CN(C[C@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12)C(=O)OC(C)(C)C ZINC001140805974 1378144743 /nfs/dbraw/zinc/14/47/43/1378144743.db2.gz RWJLGOSELBGIIP-OAHLLOKOSA-N 2 2 344.459 3.394 20 0 EGADLP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806772 1378146361 /nfs/dbraw/zinc/14/63/61/1378146361.db2.gz RPJOKIACGWPFBO-IBGZPJMESA-N 2 2 344.459 3.300 20 0 EGADLP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806772 1378146364 /nfs/dbraw/zinc/14/63/64/1378146364.db2.gz RPJOKIACGWPFBO-IBGZPJMESA-N 2 2 344.459 3.300 20 0 EGADLP CCOC(=O)C1(C(C)C)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806129 1378146920 /nfs/dbraw/zinc/14/69/20/1378146920.db2.gz WCKXIMDLNMRWSK-UHFFFAOYSA-N 2 2 329.444 3.364 20 0 EGADLP Nc1cccc(F)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140872883 1378164772 /nfs/dbraw/zinc/16/47/72/1378164772.db2.gz JWOXPMONPUWDGS-OKILXGFUSA-N 2 2 331.460 3.033 20 0 EGADLP Nc1cccc(F)c1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140872883 1378164776 /nfs/dbraw/zinc/16/47/76/1378164776.db2.gz JWOXPMONPUWDGS-OKILXGFUSA-N 2 2 331.460 3.033 20 0 EGADLP Nc1cccc(F)c1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140872883 1378164779 /nfs/dbraw/zinc/16/47/79/1378164779.db2.gz JWOXPMONPUWDGS-OKILXGFUSA-N 2 2 331.460 3.033 20 0 EGADLP Nc1cccc(F)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140872883 1378164782 /nfs/dbraw/zinc/16/47/82/1378164782.db2.gz JWOXPMONPUWDGS-OKILXGFUSA-N 2 2 331.460 3.033 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470822 1378174860 /nfs/dbraw/zinc/17/48/60/1378174860.db2.gz QQMCURBKKCHUCU-AEFFLSMTSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@H](C)CC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470822 1378174863 /nfs/dbraw/zinc/17/48/63/1378174863.db2.gz QQMCURBKKCHUCU-AEFFLSMTSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470822 1378174868 /nfs/dbraw/zinc/17/48/68/1378174868.db2.gz QQMCURBKKCHUCU-AEFFLSMTSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470822 1378174873 /nfs/dbraw/zinc/17/48/73/1378174873.db2.gz QQMCURBKKCHUCU-AEFFLSMTSA-N 2 2 336.549 3.229 20 0 EGADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1cccc3cc(Br)cnc31)C2 ZINC001276837633 1378189342 /nfs/dbraw/zinc/18/93/42/1378189342.db2.gz NTKZKVIITNMZHJ-WBMJQRKESA-N 2 2 346.272 3.133 20 0 EGADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1cccc3cc(Br)cnc31)C2 ZINC001276837633 1378189346 /nfs/dbraw/zinc/18/93/46/1378189346.db2.gz NTKZKVIITNMZHJ-WBMJQRKESA-N 2 2 346.272 3.133 20 0 EGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc3cc(Br)cnc31)C2 ZINC001276837633 1378189347 /nfs/dbraw/zinc/18/93/47/1378189347.db2.gz NTKZKVIITNMZHJ-WBMJQRKESA-N 2 2 346.272 3.133 20 0 EGADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc3cc(Br)cnc31)C2 ZINC001276837633 1378189350 /nfs/dbraw/zinc/18/93/50/1378189350.db2.gz NTKZKVIITNMZHJ-WBMJQRKESA-N 2 2 346.272 3.133 20 0 EGADLP Cc1ncoc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001141055096 1378224090 /nfs/dbraw/zinc/22/40/90/1378224090.db2.gz NZCGVMAUVCRMBP-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001141055096 1378224092 /nfs/dbraw/zinc/22/40/92/1378224092.db2.gz NZCGVMAUVCRMBP-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001141055096 1378224097 /nfs/dbraw/zinc/22/40/97/1378224097.db2.gz NZCGVMAUVCRMBP-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001141055096 1378224101 /nfs/dbraw/zinc/22/41/01/1378224101.db2.gz NZCGVMAUVCRMBP-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001141066201 1378227232 /nfs/dbraw/zinc/22/72/32/1378227232.db2.gz LRBWANHGAGJXEY-UHFFFAOYSA-N 2 2 342.830 3.152 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001141066201 1378227237 /nfs/dbraw/zinc/22/72/37/1378227237.db2.gz LRBWANHGAGJXEY-UHFFFAOYSA-N 2 2 342.830 3.152 20 0 EGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1F)C2 ZINC001141191778 1378263372 /nfs/dbraw/zinc/26/33/72/1378263372.db2.gz AUUMKDFQONSUPB-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1F)C2 ZINC001141191778 1378263378 /nfs/dbraw/zinc/26/33/78/1378263378.db2.gz AUUMKDFQONSUPB-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)cc1F)C2 ZINC001141191778 1378263385 /nfs/dbraw/zinc/26/33/85/1378263385.db2.gz AUUMKDFQONSUPB-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)cc1F)C2 ZINC001141191778 1378263390 /nfs/dbraw/zinc/26/33/90/1378263390.db2.gz AUUMKDFQONSUPB-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143350051 1378585348 /nfs/dbraw/zinc/58/53/48/1378585348.db2.gz ADJYEDGNGCKSDP-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143350051 1378585352 /nfs/dbraw/zinc/58/53/52/1378585352.db2.gz ADJYEDGNGCKSDP-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143350051 1378585354 /nfs/dbraw/zinc/58/53/54/1378585354.db2.gz ADJYEDGNGCKSDP-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143350051 1378585356 /nfs/dbraw/zinc/58/53/56/1378585356.db2.gz ADJYEDGNGCKSDP-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@H]2C1 ZINC001143352037 1378585741 /nfs/dbraw/zinc/58/57/41/1378585741.db2.gz GHYSLCOAKBBITF-HUUCEWRRSA-N 2 2 342.405 3.488 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC001146458990 1378843593 /nfs/dbraw/zinc/84/35/93/1378843593.db2.gz VIJREJRWWGWNFK-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC001146707519 1378903644 /nfs/dbraw/zinc/90/36/44/1378903644.db2.gz SDBYONRLFHNKJY-QZTJIDSGSA-N 2 2 342.487 3.045 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001283679812 1379108872 /nfs/dbraw/zinc/10/88/72/1379108872.db2.gz MKKKTPIMKMCLEJ-CXAGYDPISA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CC1CCCCC1 ZINC001284148337 1379542718 /nfs/dbraw/zinc/54/27/18/1379542718.db2.gz JFNGIWWOVPAADU-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1CCCCC1 ZINC001284148337 1379542722 /nfs/dbraw/zinc/54/27/22/1379542722.db2.gz JFNGIWWOVPAADU-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930700 1380157003 /nfs/dbraw/zinc/15/70/03/1380157003.db2.gz XOKJOGVQFXMECF-MSOLQXFVSA-N 2 2 336.524 3.487 20 0 EGADLP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930700 1380157004 /nfs/dbraw/zinc/15/70/04/1380157004.db2.gz XOKJOGVQFXMECF-MSOLQXFVSA-N 2 2 336.524 3.487 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083348 1380201654 /nfs/dbraw/zinc/20/16/54/1380201654.db2.gz RWIUCUQOMYWLBL-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083348 1380201657 /nfs/dbraw/zinc/20/16/57/1380201657.db2.gz RWIUCUQOMYWLBL-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492213 1380288716 /nfs/dbraw/zinc/28/87/16/1380288716.db2.gz HFYNTFUDOQMAGM-IAGOWNOFSA-N 2 2 342.487 3.359 20 0 EGADLP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492213 1380288722 /nfs/dbraw/zinc/28/87/22/1380288722.db2.gz HFYNTFUDOQMAGM-IAGOWNOFSA-N 2 2 342.487 3.359 20 0 EGADLP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493202 1380289949 /nfs/dbraw/zinc/28/99/49/1380289949.db2.gz YIDVBJNKWMMRBX-KHSJVXASSA-N 2 2 346.862 3.065 20 0 EGADLP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493202 1380289953 /nfs/dbraw/zinc/28/99/53/1380289953.db2.gz YIDVBJNKWMMRBX-KHSJVXASSA-N 2 2 346.862 3.065 20 0 EGADLP COc1cc2[nH+]c(C)nc(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2cc1OC ZINC001155026447 1380393888 /nfs/dbraw/zinc/39/38/88/1380393888.db2.gz TZQWFKPRLZPIOI-GXTWGEPZSA-N 2 2 344.459 3.003 20 0 EGADLP Fc1c(Cl)nccc1C(F)(F)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053871 1380399246 /nfs/dbraw/zinc/39/92/46/1380399246.db2.gz TUYZMFVADVNMEB-UHFFFAOYSA-N 2 2 330.741 3.135 20 0 EGADLP Cc1nc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)nc(Cl)c1C ZINC001155057222 1380400047 /nfs/dbraw/zinc/40/00/47/1380400047.db2.gz BBYQPPNOXDATAF-UHFFFAOYSA-N 2 2 341.793 3.008 20 0 EGADLP CCN(c1ccccc1)c1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncn1 ZINC001155062485 1380401140 /nfs/dbraw/zinc/40/11/40/1380401140.db2.gz BUXGVSNNBFVVMC-UHFFFAOYSA-N 2 2 348.454 3.287 20 0 EGADLP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522323 1380464067 /nfs/dbraw/zinc/46/40/67/1380464067.db2.gz UVPOZJMJSBNNKX-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522323 1380464069 /nfs/dbraw/zinc/46/40/69/1380464069.db2.gz UVPOZJMJSBNNKX-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc3c[nH+]cn32)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001155786666 1380492198 /nfs/dbraw/zinc/49/21/98/1380492198.db2.gz FLQJWDKAVCPSSD-SJORKVTESA-N 2 2 348.450 3.069 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc3c[nH+]cn32)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001155786666 1380492199 /nfs/dbraw/zinc/49/21/99/1380492199.db2.gz FLQJWDKAVCPSSD-SJORKVTESA-N 2 2 348.450 3.069 20 0 EGADLP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617257 1380600212 /nfs/dbraw/zinc/60/02/12/1380600212.db2.gz BGHXFPYNFSHVMD-OAHLLOKOSA-N 2 2 346.519 3.058 20 0 EGADLP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617257 1380600213 /nfs/dbraw/zinc/60/02/13/1380600213.db2.gz BGHXFPYNFSHVMD-OAHLLOKOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2c(C3CC3)cnn2C)[nH+]1 ZINC001328185921 1388686401 /nfs/dbraw/zinc/68/64/01/1388686401.db2.gz QPLLVERFUAJKKQ-MRXNPFEDSA-N 2 2 325.460 3.077 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2c(C3CC3)cnn2C)[nH+]1 ZINC001328185921 1388686402 /nfs/dbraw/zinc/68/64/02/1388686402.db2.gz QPLLVERFUAJKKQ-MRXNPFEDSA-N 2 2 325.460 3.077 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881488 1381058375 /nfs/dbraw/zinc/05/83/75/1381058375.db2.gz WWSJXNCTPRFMME-QGZVFWFLSA-N 2 2 348.535 3.482 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881488 1381058382 /nfs/dbraw/zinc/05/83/82/1381058382.db2.gz WWSJXNCTPRFMME-QGZVFWFLSA-N 2 2 348.535 3.482 20 0 EGADLP [NH3+][C@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC001157971274 1381087830 /nfs/dbraw/zinc/08/78/30/1381087830.db2.gz WVZKZEHOYYMPSF-RTWAWAEBSA-N 2 2 345.446 3.013 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1)n1cc[nH+]c1 ZINC001158107053 1381129854 /nfs/dbraw/zinc/12/98/54/1381129854.db2.gz AIDBIFPBOIGPJT-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1)n1cc[nH+]c1 ZINC001158107053 1381129856 /nfs/dbraw/zinc/12/98/56/1381129856.db2.gz AIDBIFPBOIGPJT-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP CCOC(=O)Cc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158265730 1381178214 /nfs/dbraw/zinc/17/82/14/1381178214.db2.gz IQUBINCNRPFEPH-BEFAXECRSA-N 2 2 333.476 3.143 20 0 EGADLP Cc1cccc2c(C)cc(N3CCO[C@@H](C[NH+]4CCCC4)C3)[nH+]c12 ZINC001158303889 1381192675 /nfs/dbraw/zinc/19/26/75/1381192675.db2.gz GQTAKQNPBLDCMD-KRWDZBQOSA-N 2 2 325.456 3.153 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCCC(C)(C)C ZINC001328281988 1388713245 /nfs/dbraw/zinc/71/32/45/1388713245.db2.gz FNLAVFKJRFHNSI-DLBZAZTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCCC(C)(C)C ZINC001328281988 1388713248 /nfs/dbraw/zinc/71/32/48/1388713248.db2.gz FNLAVFKJRFHNSI-DLBZAZTESA-N 2 2 348.535 3.148 20 0 EGADLP CCOC(=O)c1c(Nc2c[nH+]c(C)cc2C)sc2c1CC[NH2+]C2 ZINC001159211921 1381731906 /nfs/dbraw/zinc/73/19/06/1381731906.db2.gz AHJIUGZXKWFLMZ-UHFFFAOYSA-N 2 2 331.441 3.326 20 0 EGADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCC3C[NH+](C)C3)c12 ZINC001159219501 1381733119 /nfs/dbraw/zinc/73/31/19/1381733119.db2.gz LCIDHPSMBSHELW-UHFFFAOYSA-N 2 2 335.455 3.070 20 0 EGADLP COc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c(C)c1C ZINC001159261842 1381746661 /nfs/dbraw/zinc/74/66/61/1381746661.db2.gz QSVBSJXMVINSBI-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP Clc1cc(Nc2ccc(N3CC[NH2+]CC3)cc2)cn2cc[nH+]c12 ZINC001159267268 1381747912 /nfs/dbraw/zinc/74/79/12/1381747912.db2.gz YUBQWIUIQYLTCS-UHFFFAOYSA-N 2 2 327.819 3.141 20 0 EGADLP COc1cc[nH+]cc1Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001159889620 1381928914 /nfs/dbraw/zinc/92/89/14/1381928914.db2.gz LOZGSOHZDOOPTL-UHFFFAOYSA-N 2 2 331.391 3.351 20 0 EGADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc(N4CCCCC4)[nH+]cn3)c2C1 ZINC001159948044 1381946402 /nfs/dbraw/zinc/94/64/02/1381946402.db2.gz HIGHCTHTDXXOOT-OAHLLOKOSA-N 2 2 347.466 3.227 20 0 EGADLP O=C(NCCC1=CC[N@H+](CCC2CC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160491504 1382120583 /nfs/dbraw/zinc/12/05/83/1382120583.db2.gz FRNZRFAZABTSIZ-UHFFFAOYSA-N 2 2 338.455 3.115 20 0 EGADLP O=C(NCCC1=CC[N@@H+](CCC2CC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160491504 1382120585 /nfs/dbraw/zinc/12/05/85/1382120585.db2.gz FRNZRFAZABTSIZ-UHFFFAOYSA-N 2 2 338.455 3.115 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001160992010 1382265466 /nfs/dbraw/zinc/26/54/66/1382265466.db2.gz PCQVLAJTBFACJW-HZPDHXFCSA-N 2 2 342.487 3.489 20 0 EGADLP Cc1cc(N2CCCC2)nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)[nH+]1 ZINC001161181909 1382328886 /nfs/dbraw/zinc/32/88/86/1382328886.db2.gz RYVMRQWWYNRAQB-KRWDZBQOSA-N 2 2 329.492 3.062 20 0 EGADLP Cc1cc(N2CCCC2)nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]1 ZINC001161181909 1382328890 /nfs/dbraw/zinc/32/88/90/1382328890.db2.gz RYVMRQWWYNRAQB-KRWDZBQOSA-N 2 2 329.492 3.062 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434583 1382410077 /nfs/dbraw/zinc/41/00/77/1382410077.db2.gz ULNFGHDIGPUPIA-CHYADLBTSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434583 1382410078 /nfs/dbraw/zinc/41/00/78/1382410078.db2.gz ULNFGHDIGPUPIA-CHYADLBTSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434583 1382410080 /nfs/dbraw/zinc/41/00/80/1382410080.db2.gz ULNFGHDIGPUPIA-CHYADLBTSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434583 1382410082 /nfs/dbraw/zinc/41/00/82/1382410082.db2.gz ULNFGHDIGPUPIA-CHYADLBTSA-N 2 2 344.503 3.083 20 0 EGADLP [NH3+]C1CC[NH+](CCNc2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001161872808 1382536324 /nfs/dbraw/zinc/53/63/24/1382536324.db2.gz KYFYLQFRHLYIOC-UHFFFAOYSA-N 2 2 339.270 3.377 20 0 EGADLP COc1cccc(C2(Nc3[nH+]cc(OC)cc3C)CC[NH2+]CC2)c1 ZINC001161996250 1382593382 /nfs/dbraw/zinc/59/33/82/1382593382.db2.gz QUNDMNARLCVJGT-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP CCN(C)c1cc(C)[nH+]c(NCC(C)(C)c2cc(OC)cc[nH+]2)n1 ZINC001162128468 1382634514 /nfs/dbraw/zinc/63/45/14/1382634514.db2.gz PQPYIPNJIQLFAA-UHFFFAOYSA-N 2 2 329.448 3.034 20 0 EGADLP c1ccc(COc2cc(NCc3ccc4c(c3)CC[NH2+]C4)cc[nH+]2)nc1 ZINC001162815925 1382883778 /nfs/dbraw/zinc/88/37/78/1382883778.db2.gz RNOURKSXFROMIA-UHFFFAOYSA-N 2 2 346.434 3.313 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3C)c2[nH]1 ZINC001163360754 1383030364 /nfs/dbraw/zinc/03/03/64/1383030364.db2.gz FRTUAISLFFZELZ-DZGCQCFKSA-N 2 2 344.459 3.270 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@@H]3CC[N@H+](C(C)C)C[C@@H]3C)c2[nH]1 ZINC001163360754 1383030367 /nfs/dbraw/zinc/03/03/67/1383030367.db2.gz FRTUAISLFFZELZ-DZGCQCFKSA-N 2 2 344.459 3.270 20 0 EGADLP COc1ccc2c[nH+]c(N3CCN(c4cccc(C)[nH+]4)CC3)cc2c1 ZINC001163666187 1383099500 /nfs/dbraw/zinc/09/95/00/1383099500.db2.gz OUEDJRKXRVEYMA-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP Cc1nc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cc(C(C)C)[nH+]1 ZINC001165265390 1383262255 /nfs/dbraw/zinc/26/22/55/1383262255.db2.gz ROWKAHITEUDUKI-HNNXBMFYSA-N 2 2 342.409 3.419 20 0 EGADLP Cc1cc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001165670689 1383322397 /nfs/dbraw/zinc/32/23/97/1383322397.db2.gz STLJRRHNRBIWDR-INIZCTEOSA-N 2 2 344.503 3.178 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC001166401099 1383418769 /nfs/dbraw/zinc/41/87/69/1383418769.db2.gz BQSOJXXXKANZCU-SJORKVTESA-N 2 2 340.471 3.077 20 0 EGADLP CCCC[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001166422683 1383421266 /nfs/dbraw/zinc/42/12/66/1383421266.db2.gz NSAKHKJFQLEKLN-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP C[C@H](CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1)n1cc[nH+]c1 ZINC001167348093 1383605476 /nfs/dbraw/zinc/60/54/76/1383605476.db2.gz BLNCTDDQONRRBT-MRXNPFEDSA-N 2 2 346.519 3.147 20 0 EGADLP FC1(F)CC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940831 1383773952 /nfs/dbraw/zinc/77/39/52/1383773952.db2.gz NBUTVWITRIPNGT-ISARSNTHSA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940831 1383773954 /nfs/dbraw/zinc/77/39/54/1383773954.db2.gz NBUTVWITRIPNGT-ISARSNTHSA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001167940831 1383773957 /nfs/dbraw/zinc/77/39/57/1383773957.db2.gz NBUTVWITRIPNGT-ISARSNTHSA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001167940831 1383773959 /nfs/dbraw/zinc/77/39/59/1383773959.db2.gz NBUTVWITRIPNGT-ISARSNTHSA-N 2 2 347.453 3.413 20 0 EGADLP Brc1ccc2c(C3C[NH+]([C@@H]4C[C@H]5C[C@H]5C4)C3)[nH+]cn2c1 ZINC001167952435 1383777527 /nfs/dbraw/zinc/77/75/27/1383777527.db2.gz OUEBHUXJTONJFO-GNXNZQSNSA-N 2 2 332.245 3.295 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001167976682 1383785408 /nfs/dbraw/zinc/78/54/08/1383785408.db2.gz CYZUNCAZMKCXMR-MRXNPFEDSA-N 2 2 342.487 3.008 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001167976682 1383785411 /nfs/dbraw/zinc/78/54/11/1383785411.db2.gz CYZUNCAZMKCXMR-MRXNPFEDSA-N 2 2 342.487 3.008 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001167991640 1383789400 /nfs/dbraw/zinc/78/94/00/1383789400.db2.gz MUJVGCLIHKARBA-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001167991640 1383789406 /nfs/dbraw/zinc/78/94/06/1383789406.db2.gz MUJVGCLIHKARBA-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001167991643 1383789741 /nfs/dbraw/zinc/78/97/41/1383789741.db2.gz MUJVGCLIHKARBA-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001167991643 1383789745 /nfs/dbraw/zinc/78/97/45/1383789745.db2.gz MUJVGCLIHKARBA-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059885 1383806446 /nfs/dbraw/zinc/80/64/46/1383806446.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059885 1383806450 /nfs/dbraw/zinc/80/64/50/1383806450.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059885 1383806456 /nfs/dbraw/zinc/80/64/56/1383806456.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059885 1383806461 /nfs/dbraw/zinc/80/64/61/1383806461.db2.gz VSCZCWBTKOGFTG-MXNKGDRCSA-N 3 2 341.543 3.456 20 0 EGADLP c1ccc(OC2CCOCC2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168363330 1383883316 /nfs/dbraw/zinc/88/33/16/1383883316.db2.gz XXHAJGDMCBXQFJ-UHFFFAOYSA-N 2 2 344.499 3.208 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168463884 1383912936 /nfs/dbraw/zinc/91/29/36/1383912936.db2.gz YGKKMSXVCWKAPD-UHFFFAOYSA-N 2 2 348.535 3.366 20 0 EGADLP CCc1cc(NCC2(C[NH+]3CCOCC3)CCCCC2)nc(C)[nH+]1 ZINC001306992235 1383931196 /nfs/dbraw/zinc/93/11/96/1383931196.db2.gz BDKBMKLQPJNKEF-UHFFFAOYSA-N 2 2 332.492 3.042 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001168582395 1383941846 /nfs/dbraw/zinc/94/18/46/1383941846.db2.gz DRLIOOLLVWAZIB-AZUAARDMSA-N 2 2 332.488 3.381 20 0 EGADLP CC[NH+](CC)C1CC[NH+]([C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168862558 1384037475 /nfs/dbraw/zinc/03/74/75/1384037475.db2.gz FRERZXXTAMEPGV-WBVHZDCISA-N 2 2 339.524 3.191 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C[C@H]2Cc2ccccc2)c1C ZINC001307902064 1384054938 /nfs/dbraw/zinc/05/49/38/1384054938.db2.gz PVOHOXWKCIELOW-LJQANCHMSA-N 2 2 339.483 3.066 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C[C@H]2Cc2ccccc2)c1C ZINC001307902064 1384054941 /nfs/dbraw/zinc/05/49/41/1384054941.db2.gz PVOHOXWKCIELOW-LJQANCHMSA-N 2 2 339.483 3.066 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169101238 1384107519 /nfs/dbraw/zinc/10/75/19/1384107519.db2.gz PSISEJRQDOKJQH-QKDCVEJESA-N 2 2 339.277 3.173 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101238 1384107520 /nfs/dbraw/zinc/10/75/20/1384107520.db2.gz PSISEJRQDOKJQH-QKDCVEJESA-N 2 2 339.277 3.173 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccc(Cl)cc1)C2 ZINC001169109531 1384108497 /nfs/dbraw/zinc/10/84/97/1384108497.db2.gz CTZSLEUHJHXEAC-BCDXTJNWSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccc(Cl)cc1)C2 ZINC001169109531 1384108500 /nfs/dbraw/zinc/10/85/00/1384108500.db2.gz CTZSLEUHJHXEAC-BCDXTJNWSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(=O)c4ccc(F)cc43)CC1)C2 ZINC001169127996 1384110949 /nfs/dbraw/zinc/11/09/49/1384110949.db2.gz BAIYCLGUPZSOBC-FVQHAEBGSA-N 2 2 342.458 3.371 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC(=O)c4ccc(F)cc43)CC1)C2 ZINC001169127996 1384110951 /nfs/dbraw/zinc/11/09/51/1384110951.db2.gz BAIYCLGUPZSOBC-FVQHAEBGSA-N 2 2 342.458 3.371 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143025 1384113394 /nfs/dbraw/zinc/11/33/94/1384113394.db2.gz JAVYXUGVVIIMFJ-RXVVDRJESA-N 3 2 344.547 3.394 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169152606 1384115853 /nfs/dbraw/zinc/11/58/53/1384115853.db2.gz CRMGUWLDBOSTAJ-REPLKXPHSA-N 2 2 344.499 3.467 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169152606 1384115855 /nfs/dbraw/zinc/11/58/55/1384115855.db2.gz CRMGUWLDBOSTAJ-REPLKXPHSA-N 2 2 344.499 3.467 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169152606 1384115856 /nfs/dbraw/zinc/11/58/56/1384115856.db2.gz CRMGUWLDBOSTAJ-REPLKXPHSA-N 2 2 344.499 3.467 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169152606 1384115858 /nfs/dbraw/zinc/11/58/58/1384115858.db2.gz CRMGUWLDBOSTAJ-REPLKXPHSA-N 2 2 344.499 3.467 20 0 EGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215384 1384266807 /nfs/dbraw/zinc/26/68/07/1384266807.db2.gz BJNZANIITVTTSD-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215384 1384266809 /nfs/dbraw/zinc/26/68/09/1384266809.db2.gz BJNZANIITVTTSD-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215384 1384266810 /nfs/dbraw/zinc/26/68/10/1384266810.db2.gz BJNZANIITVTTSD-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215384 1384266812 /nfs/dbraw/zinc/26/68/12/1384266812.db2.gz BJNZANIITVTTSD-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482114 1384327437 /nfs/dbraw/zinc/32/74/37/1384327437.db2.gz BGHZVUBCOXKWDM-OAHLLOKOSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001170483973 1384328678 /nfs/dbraw/zinc/32/86/78/1384328678.db2.gz SFGRKPOUTBTHFY-DLBZAZTESA-N 2 2 342.487 3.368 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)c1 ZINC001171579005 1384570573 /nfs/dbraw/zinc/57/05/73/1384570573.db2.gz MZQCQTBZBCYMLZ-GOSISDBHSA-N 2 2 337.467 3.078 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171603513 1384576211 /nfs/dbraw/zinc/57/62/11/1384576211.db2.gz ALDSVVQJDQOHJA-QZTJIDSGSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC1(C)C ZINC001171627328 1384585114 /nfs/dbraw/zinc/58/51/14/1384585114.db2.gz PQMCFNHDWOIJGA-UHFFFAOYSA-N 3 2 344.547 3.069 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCCC[NH2+]CCC[C@H](C)O)c(C)[nH+]1 ZINC001171859556 1384662912 /nfs/dbraw/zinc/66/29/12/1384662912.db2.gz GIPZJPDTRCXAKD-WBVHZDCISA-N 2 2 349.519 3.046 20 0 EGADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC001171867165 1384665718 /nfs/dbraw/zinc/66/57/18/1384665718.db2.gz VHIUEUHMQCUBCY-FQEVSTJZSA-N 2 2 343.515 3.147 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]2C1 ZINC001171990781 1384707325 /nfs/dbraw/zinc/70/73/25/1384707325.db2.gz OVFBXNOZQZJUTK-NJDAHSKKSA-N 3 2 341.543 3.313 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]2C1 ZINC001171990781 1384707328 /nfs/dbraw/zinc/70/73/28/1384707328.db2.gz OVFBXNOZQZJUTK-NJDAHSKKSA-N 3 2 341.543 3.313 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001172060496 1384713931 /nfs/dbraw/zinc/71/39/31/1384713931.db2.gz ASNCAELJHBUSSU-LRSLUSHPSA-N 2 2 339.527 3.256 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001172060496 1384713933 /nfs/dbraw/zinc/71/39/33/1384713933.db2.gz ASNCAELJHBUSSU-LRSLUSHPSA-N 2 2 339.527 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C2 ZINC001172108929 1384728103 /nfs/dbraw/zinc/72/81/03/1384728103.db2.gz FTJKBKISDGIGAS-OQMKEHIESA-N 2 2 326.843 3.117 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C2 ZINC001172108929 1384728105 /nfs/dbraw/zinc/72/81/05/1384728105.db2.gz FTJKBKISDGIGAS-OQMKEHIESA-N 2 2 326.843 3.117 20 0 EGADLP C[NH+](C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC001172223488 1384751404 /nfs/dbraw/zinc/75/14/04/1384751404.db2.gz YEABBTLHCXTHKJ-KCUCDVLQSA-N 2 2 332.532 3.433 20 0 EGADLP Clc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001172726558 1384839333 /nfs/dbraw/zinc/83/93/33/1384839333.db2.gz XWIGGZGPTFFQBX-GOSISDBHSA-N 2 2 327.859 3.461 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001172783693 1384851851 /nfs/dbraw/zinc/85/18/51/1384851851.db2.gz KZRQUHSQKWLDAD-WBVHZDCISA-N 2 2 327.428 3.303 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869458 1384869411 /nfs/dbraw/zinc/86/94/11/1384869411.db2.gz ZTTUMUGOCQSGGI-QIIPPGSGSA-N 2 2 340.870 3.063 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869458 1384869413 /nfs/dbraw/zinc/86/94/13/1384869413.db2.gz ZTTUMUGOCQSGGI-QIIPPGSGSA-N 2 2 340.870 3.063 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869458 1384869415 /nfs/dbraw/zinc/86/94/15/1384869415.db2.gz ZTTUMUGOCQSGGI-QIIPPGSGSA-N 2 2 340.870 3.063 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869458 1384869416 /nfs/dbraw/zinc/86/94/16/1384869416.db2.gz ZTTUMUGOCQSGGI-QIIPPGSGSA-N 2 2 340.870 3.063 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317136301 1384900643 /nfs/dbraw/zinc/90/06/43/1384900643.db2.gz CAMUVTYYESXHCZ-QGZVFWFLSA-N 2 2 348.535 3.007 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317136301 1384900644 /nfs/dbraw/zinc/90/06/44/1384900644.db2.gz CAMUVTYYESXHCZ-QGZVFWFLSA-N 2 2 348.535 3.007 20 0 EGADLP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281258 1384950761 /nfs/dbraw/zinc/95/07/61/1384950761.db2.gz RQBWALZDIFWHFN-MJGOQNOKSA-N 2 2 330.520 3.429 20 0 EGADLP CC[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281258 1384950765 /nfs/dbraw/zinc/95/07/65/1384950765.db2.gz RQBWALZDIFWHFN-MJGOQNOKSA-N 2 2 330.520 3.429 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001173624861 1384991556 /nfs/dbraw/zinc/99/15/56/1384991556.db2.gz YMKOCOKACUTVSC-RMXPPQQLSA-N 2 2 331.460 3.032 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513108 1385226247 /nfs/dbraw/zinc/22/62/47/1385226247.db2.gz GVAZFURJHCKURG-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513108 1385226249 /nfs/dbraw/zinc/22/62/49/1385226249.db2.gz GVAZFURJHCKURG-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175871876 1385426320 /nfs/dbraw/zinc/42/63/20/1385426320.db2.gz CYCPLFVZQKMVGF-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176350537 1385558470 /nfs/dbraw/zinc/55/84/70/1385558470.db2.gz GKMDFYBZBTZUBI-CVEARBPZSA-N 2 2 336.524 3.207 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176350601 1385559098 /nfs/dbraw/zinc/55/90/98/1385559098.db2.gz IEUCQVYFLSJYDL-CVEARBPZSA-N 2 2 342.487 3.286 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176351010 1385559982 /nfs/dbraw/zinc/55/99/82/1385559982.db2.gz OKPGFQZVBJRCEX-INIZCTEOSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176350604 1385560070 /nfs/dbraw/zinc/56/00/70/1385560070.db2.gz IEUCQVYFLSJYDL-JKSUJKDBSA-N 2 2 342.487 3.286 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176351983 1385560970 /nfs/dbraw/zinc/56/09/70/1385560970.db2.gz XYXAEXPYNLZRAH-HNNXBMFYSA-N 2 2 334.508 3.106 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176829960 1385716550 /nfs/dbraw/zinc/71/65/50/1385716550.db2.gz WJBZEYUPTDHAMX-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1F ZINC001177454588 1385961810 /nfs/dbraw/zinc/96/18/10/1385961810.db2.gz SNPBNHNZPOMGLW-UHFFFAOYSA-N 2 2 335.386 3.257 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177466899 1385966660 /nfs/dbraw/zinc/96/66/60/1385966660.db2.gz JQOIWTSXUMHGKA-UHFFFAOYSA-N 2 2 348.535 3.486 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1-n1cncn1 ZINC001177492717 1385978309 /nfs/dbraw/zinc/97/83/09/1385978309.db2.gz UQYZFCWGMBJOOV-UHFFFAOYSA-N 2 2 344.422 3.051 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001178326109 1386189063 /nfs/dbraw/zinc/18/90/63/1386189063.db2.gz AAQHWWNQLWUVAI-AWEZNQCLSA-N 2 2 348.853 3.309 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCC[NH2+]CC[C@H](C)F)ccn12 ZINC001178483975 1386231665 /nfs/dbraw/zinc/23/16/65/1386231665.db2.gz NDMHAGXHBNAJMN-HNNXBMFYSA-N 2 2 348.466 3.271 20 0 EGADLP Cc1ccccc1C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649663 1386269011 /nfs/dbraw/zinc/26/90/11/1386269011.db2.gz TZAUZXCOEJBATD-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP Cc1ccccc1C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649663 1386269014 /nfs/dbraw/zinc/26/90/14/1386269014.db2.gz TZAUZXCOEJBATD-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752563 1386294227 /nfs/dbraw/zinc/29/42/27/1386294227.db2.gz VDDMXSGAMWCJMA-IAGOWNOFSA-N 2 2 334.508 3.216 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752563 1386294233 /nfs/dbraw/zinc/29/42/33/1386294233.db2.gz VDDMXSGAMWCJMA-IAGOWNOFSA-N 2 2 334.508 3.216 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178863728 1386332569 /nfs/dbraw/zinc/33/25/69/1386332569.db2.gz AEANDYLDLZBTKX-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CCC1)c1cccc2[nH+]ccn21 ZINC001179009457 1386375470 /nfs/dbraw/zinc/37/54/70/1386375470.db2.gz GJSFGFJXXLMRSH-UHFFFAOYSA-N 2 2 328.460 3.014 20 0 EGADLP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179098026 1386399679 /nfs/dbraw/zinc/39/96/79/1386399679.db2.gz YXADLVCODOQNOO-AATRIKPKSA-N 2 2 348.535 3.365 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001179179999 1386419669 /nfs/dbraw/zinc/41/96/69/1386419669.db2.gz MDSAMXLXIWAFIX-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630052 1386535504 /nfs/dbraw/zinc/53/55/04/1386535504.db2.gz HRHJZDVFOVEASM-UBZMYNMCSA-N 2 2 346.519 3.146 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)c(C)s1 ZINC001179907306 1386624360 /nfs/dbraw/zinc/62/43/60/1386624360.db2.gz ZRWGWEAHXUBDEI-UHFFFAOYSA-N 2 2 348.516 3.097 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)c3ccc(C)cc3)CC2)c1 ZINC001179997798 1386663705 /nfs/dbraw/zinc/66/37/05/1386663705.db2.gz XTNQRJWTBJRTDD-KRWDZBQOSA-N 2 2 325.456 3.324 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2C1 ZINC001321176895 1386831559 /nfs/dbraw/zinc/83/15/59/1386831559.db2.gz QNIKAFMCIVDSQR-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2C1 ZINC001321176895 1386831562 /nfs/dbraw/zinc/83/15/62/1386831562.db2.gz QNIKAFMCIVDSQR-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP Cc1cc(NCc2ccc[nH+]c2N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001180865971 1386888045 /nfs/dbraw/zinc/88/80/45/1386888045.db2.gz WZZQGWJKIJMIQK-UHFFFAOYSA-N 2 2 339.487 3.115 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@]1(C)C[NH2+]C/C=C\Cl ZINC001181903184 1387073292 /nfs/dbraw/zinc/07/32/92/1387073292.db2.gz FQRNZNVPUFNFNK-MTRFTSAKSA-N 2 2 346.862 3.003 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767994 1387221783 /nfs/dbraw/zinc/22/17/83/1387221783.db2.gz VATJHXCBLOQBKB-YLFWBSLLSA-N 2 2 346.519 3.265 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCOc1ccccc1 ZINC001322848433 1387246087 /nfs/dbraw/zinc/24/60/87/1387246087.db2.gz YUPQYTYJHPMWOZ-UHFFFAOYSA-N 2 2 336.395 3.373 20 0 EGADLP CN(C)c1nc(NC2CCN(c3cc[nH+]cc3)CC2)[nH+]c2ccccc21 ZINC001337442051 1389346270 /nfs/dbraw/zinc/34/62/70/1389346270.db2.gz CEQZXEMWPKZFPY-UHFFFAOYSA-N 2 2 348.454 3.172 20 0 EGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC001331417445 1389739382 /nfs/dbraw/zinc/73/93/82/1389739382.db2.gz AXXPPDUNBFAAHF-NSHDSACASA-N 2 2 341.286 3.433 20 0 EGADLP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331488148 1389766896 /nfs/dbraw/zinc/76/68/96/1389766896.db2.gz IWLCZWZFRXTGHW-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnn(C(C)(C)C)c1C ZINC001339095009 1389897299 /nfs/dbraw/zinc/89/72/99/1389897299.db2.gz QKFRBZSGSPQZOD-UHFFFAOYSA-N 2 2 338.415 3.088 20 0 EGADLP C[C@@H]([NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC001332839449 1390197978 /nfs/dbraw/zinc/19/79/78/1390197978.db2.gz XTDGHGPAOYOHBA-AEFFLSMTSA-N 2 2 342.487 3.155 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3nc4ccccc4n4c[nH+]cc34)C[C@@H]2C1 ZINC001333874643 1390426642 /nfs/dbraw/zinc/42/66/42/1390426642.db2.gz BPPJRVJFIAHHOB-OWCLPIDISA-N 2 2 335.455 3.049 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001341523425 1390497602 /nfs/dbraw/zinc/49/76/02/1390497602.db2.gz TYMKNUKOCPAWTF-UHFFFAOYSA-N 2 2 336.549 3.358 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2sc(N3CCCCC3)nc2C)CC1 ZINC001341523425 1390497603 /nfs/dbraw/zinc/49/76/03/1390497603.db2.gz TYMKNUKOCPAWTF-UHFFFAOYSA-N 2 2 336.549 3.358 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC001334355754 1390524195 /nfs/dbraw/zinc/52/41/95/1390524195.db2.gz QFKRALGEFDJFCA-RTBURBONSA-N 2 2 327.472 3.142 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC001334355754 1390524199 /nfs/dbraw/zinc/52/41/99/1390524199.db2.gz QFKRALGEFDJFCA-RTBURBONSA-N 2 2 327.472 3.142 20 0 EGADLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC001335345866 1390674435 /nfs/dbraw/zinc/67/44/35/1390674435.db2.gz PMUQWLCQYMEVQS-OAHLLOKOSA-N 2 2 341.377 3.349 20 0 EGADLP C[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC001335395247 1390679367 /nfs/dbraw/zinc/67/93/67/1390679367.db2.gz RWVYEVYXOIIGES-ABAIWWIYSA-N 2 2 328.243 3.149 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccnc3N(C)C)C2)CC1 ZINC001343220434 1390700593 /nfs/dbraw/zinc/70/05/93/1390700593.db2.gz CKZVIMGERJDGPG-GOSISDBHSA-N 2 2 330.520 3.092 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccnc3N(C)C)C2)CC1 ZINC001343220434 1390700594 /nfs/dbraw/zinc/70/05/94/1390700594.db2.gz CKZVIMGERJDGPG-GOSISDBHSA-N 2 2 330.520 3.092 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cs1 ZINC001347434913 1391074618 /nfs/dbraw/zinc/07/46/18/1391074618.db2.gz KZFVXIWLWQARRM-AWEZNQCLSA-N 2 2 330.501 3.054 20 0 EGADLP CC(C)(C)[NH+]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001351735373 1391681162 /nfs/dbraw/zinc/68/11/62/1391681162.db2.gz CWNSIYLMNDZICA-UHFFFAOYSA-N 2 2 345.491 3.020 20 0 EGADLP C[N@H+](Cc1ccccc1NC(=O)C[C@H]([NH3+])C(F)F)C1CCCCC1 ZINC001353447451 1392013844 /nfs/dbraw/zinc/01/38/44/1392013844.db2.gz FWDZHGFYOLMXLR-HNNXBMFYSA-N 2 2 339.430 3.372 20 0 EGADLP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]([NH3+])C(F)F)C1CCCCC1 ZINC001353447451 1392013849 /nfs/dbraw/zinc/01/38/49/1392013849.db2.gz FWDZHGFYOLMXLR-HNNXBMFYSA-N 2 2 339.430 3.372 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001480486336 1392766620 /nfs/dbraw/zinc/76/66/20/1392766620.db2.gz KIPZAMXJJODLDJ-CHWSQXEVSA-N 2 2 340.402 3.171 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001481290768 1393159288 /nfs/dbraw/zinc/15/92/88/1393159288.db2.gz QHOXYPVYMUTSBR-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001481290768 1393159289 /nfs/dbraw/zinc/15/92/89/1393159289.db2.gz QHOXYPVYMUTSBR-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001482154046 1394773897 /nfs/dbraw/zinc/77/38/97/1394773897.db2.gz HHSWSMCHJHUQMY-CVEARBPZSA-N 2 2 342.487 3.179 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001690592046 1404643053 /nfs/dbraw/zinc/64/30/53/1404643053.db2.gz RRFUBSQNKQOAIR-HUUCEWRRSA-N 2 2 336.439 3.340 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001690777781 1404726909 /nfs/dbraw/zinc/72/69/09/1404726909.db2.gz RHLXKUKNFLISQB-OXUBUWLOSA-N 2 2 335.879 3.390 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC001692098096 1405770529 /nfs/dbraw/zinc/77/05/29/1405770529.db2.gz XWSCWCLDIZODKZ-RYRKJORJSA-N 2 2 348.535 3.160 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001732219082 1428467552 /nfs/dbraw/zinc/46/75/52/1428467552.db2.gz VMNWINICSKDORJ-BLLLJJGKSA-N 2 2 348.878 3.160 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001699979349 1413424160 /nfs/dbraw/zinc/42/41/60/1413424160.db2.gz LOTDDFXKGYFOTJ-KZNAEPCWSA-N 2 2 334.508 3.002 20 0 EGADLP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001700193217 1413626701 /nfs/dbraw/zinc/62/67/01/1413626701.db2.gz SENBRLOUNURPCB-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cccc(C[N@H+](C)CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001700193217 1413626706 /nfs/dbraw/zinc/62/67/06/1413626706.db2.gz SENBRLOUNURPCB-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001700366533 1413893333 /nfs/dbraw/zinc/89/33/33/1413893333.db2.gz WKWWRZSYZZULEY-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001700366533 1413893337 /nfs/dbraw/zinc/89/33/37/1413893337.db2.gz WKWWRZSYZZULEY-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCC(C)(C)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001700446612 1414023037 /nfs/dbraw/zinc/02/30/37/1414023037.db2.gz UFCQQWPBAUHTBT-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001700754947 1414425234 /nfs/dbraw/zinc/42/52/34/1414425234.db2.gz DAFUNHZUNSEWLB-LBPRGKRZSA-N 2 2 342.468 3.183 20 0 EGADLP CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001732731219 1428933071 /nfs/dbraw/zinc/93/30/71/1428933071.db2.gz DXDXQISGVNUXRP-DYVFJYSZSA-N 2 2 348.878 3.241 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001712999993 1417552853 /nfs/dbraw/zinc/55/28/53/1417552853.db2.gz PZRJFDNVEBVUMV-AEFFLSMTSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713276616 1417897401 /nfs/dbraw/zinc/89/74/01/1417897401.db2.gz XVCGLCKDZKRPBS-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713276616 1417897405 /nfs/dbraw/zinc/89/74/05/1417897405.db2.gz XVCGLCKDZKRPBS-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001713410304 1418033188 /nfs/dbraw/zinc/03/31/88/1418033188.db2.gz IXQOZMQYJZEWGF-ZDUSSCGKSA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001713412342 1418035509 /nfs/dbraw/zinc/03/55/09/1418035509.db2.gz LSKVYMSYLCMKFN-JKSUJKDBSA-N 2 2 330.476 3.115 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H]2CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713507178 1418230002 /nfs/dbraw/zinc/23/00/02/1418230002.db2.gz KASMWEJPADZIDX-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H]2CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713507178 1418230006 /nfs/dbraw/zinc/23/00/06/1418230006.db2.gz KASMWEJPADZIDX-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H]2CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713507178 1418230007 /nfs/dbraw/zinc/23/00/07/1418230007.db2.gz KASMWEJPADZIDX-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H]2CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713507178 1418230010 /nfs/dbraw/zinc/23/00/10/1418230010.db2.gz KASMWEJPADZIDX-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145708 1418950069 /nfs/dbraw/zinc/95/00/69/1418950069.db2.gz RFMOSTVUPUEBJZ-MOPGFXCFSA-N 2 2 346.519 3.309 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145708 1418950070 /nfs/dbraw/zinc/95/00/70/1418950070.db2.gz RFMOSTVUPUEBJZ-MOPGFXCFSA-N 2 2 346.519 3.309 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001714187235 1418994339 /nfs/dbraw/zinc/99/43/39/1418994339.db2.gz QTAYFJUPXSVCLJ-OXJNMPFZSA-N 2 2 348.535 3.054 20 0 EGADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1cccc(Cl)c1 ZINC001714596587 1419348637 /nfs/dbraw/zinc/34/86/37/1419348637.db2.gz JXURNXIVINFCGF-CQSZACIVSA-N 2 2 348.878 3.113 20 0 EGADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1cccc(Cl)c1 ZINC001714596587 1419348640 /nfs/dbraw/zinc/34/86/40/1419348640.db2.gz JXURNXIVINFCGF-CQSZACIVSA-N 2 2 348.878 3.113 20 0 EGADLP C[C@H]([NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC001714844828 1419557076 /nfs/dbraw/zinc/55/70/76/1419557076.db2.gz GUMCYTZWHGFWQH-QFBILLFUSA-N 2 2 348.450 3.161 20 0 EGADLP CC(C)[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001714978610 1419713374 /nfs/dbraw/zinc/71/33/74/1419713374.db2.gz QGNIKRRFHLYCJY-MRXNPFEDSA-N 2 2 328.460 3.011 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001715233980 1419965191 /nfs/dbraw/zinc/96/51/91/1419965191.db2.gz OHHFGZMANUZMHX-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001715233980 1419965194 /nfs/dbraw/zinc/96/51/94/1419965194.db2.gz OHHFGZMANUZMHX-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257840 1419980001 /nfs/dbraw/zinc/98/00/01/1419980001.db2.gz OHUBYQPFOLTGJT-HOTGVXAUSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257840 1419980003 /nfs/dbraw/zinc/98/00/03/1419980003.db2.gz OHUBYQPFOLTGJT-HOTGVXAUSA-N 2 2 348.535 3.147 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CC3CC(C)C3)C(C)C)ccn12 ZINC001715490555 1420172018 /nfs/dbraw/zinc/17/20/18/1420172018.db2.gz BKAONZQRNFIGQD-PVARCSIZSA-N 2 2 342.487 3.033 20 0 EGADLP CC(C)C[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001715498791 1420180308 /nfs/dbraw/zinc/18/03/08/1420180308.db2.gz QAUGYPNUTHWQMC-QGZVFWFLSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[N@@H+](C)CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001715498791 1420180311 /nfs/dbraw/zinc/18/03/11/1420180311.db2.gz QAUGYPNUTHWQMC-QGZVFWFLSA-N 2 2 334.508 3.051 20 0 EGADLP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001716037241 1420497077 /nfs/dbraw/zinc/49/70/77/1420497077.db2.gz IHFCJNPATVYUOW-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001716037241 1420497078 /nfs/dbraw/zinc/49/70/78/1420497078.db2.gz IHFCJNPATVYUOW-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672922 1420829696 /nfs/dbraw/zinc/82/96/96/1420829696.db2.gz HVMHRQNJTNARFM-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672922 1420829700 /nfs/dbraw/zinc/82/97/00/1420829700.db2.gz HVMHRQNJTNARFM-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001716968306 1421055955 /nfs/dbraw/zinc/05/59/55/1421055955.db2.gz ZGSHRCPPXMADIP-DOTOQJQBSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332300 1421267212 /nfs/dbraw/zinc/26/72/12/1421267212.db2.gz SOXVAYDVWOWQQP-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332300 1421267213 /nfs/dbraw/zinc/26/72/13/1421267213.db2.gz SOXVAYDVWOWQQP-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332300 1421267214 /nfs/dbraw/zinc/26/72/14/1421267214.db2.gz SOXVAYDVWOWQQP-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332300 1421267215 /nfs/dbraw/zinc/26/72/15/1421267215.db2.gz SOXVAYDVWOWQQP-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001717886625 1421688684 /nfs/dbraw/zinc/68/86/84/1421688684.db2.gz FOMZFADQUQFAPC-RBUKOAKNSA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461230 1429686331 /nfs/dbraw/zinc/68/63/31/1429686331.db2.gz KPQFCFVEEMHUJB-QUCCMNQESA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461230 1429686333 /nfs/dbraw/zinc/68/63/33/1429686333.db2.gz KPQFCFVEEMHUJB-QUCCMNQESA-N 2 2 348.535 3.174 20 0 EGADLP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724322676 1424810373 /nfs/dbraw/zinc/81/03/73/1424810373.db2.gz GPQNFWSKEJXAEZ-IBGZPJMESA-N 2 2 328.460 3.195 20 0 EGADLP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724322676 1424810379 /nfs/dbraw/zinc/81/03/79/1424810379.db2.gz GPQNFWSKEJXAEZ-IBGZPJMESA-N 2 2 328.460 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170402 1425679012 /nfs/dbraw/zinc/67/90/12/1425679012.db2.gz BXIQJBSMXYNLIL-GJZGRUSLSA-N 2 2 330.476 3.295 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170402 1425679016 /nfs/dbraw/zinc/67/90/16/1425679016.db2.gz BXIQJBSMXYNLIL-GJZGRUSLSA-N 2 2 330.476 3.295 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001725422843 1426075066 /nfs/dbraw/zinc/07/50/66/1426075066.db2.gz CRFLXZZIHWTEGN-UHFFFAOYSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001725422843 1426075077 /nfs/dbraw/zinc/07/50/77/1426075077.db2.gz CRFLXZZIHWTEGN-UHFFFAOYSA-N 2 2 334.508 3.022 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC001725512557 1426201090 /nfs/dbraw/zinc/20/10/90/1426201090.db2.gz CCMRGXMLQACMKQ-QWHCGFSZSA-N 2 2 348.878 3.112 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396438 1427352450 /nfs/dbraw/zinc/35/24/50/1427352450.db2.gz OMFYBMFHZAYRLP-KUHUBIRLSA-N 2 2 342.487 3.343 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001731792147 1427936080 /nfs/dbraw/zinc/93/60/80/1427936080.db2.gz WZACNNUGPDVRRM-INIZCTEOSA-N 2 2 342.487 3.193 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001731792147 1427936083 /nfs/dbraw/zinc/93/60/83/1427936083.db2.gz WZACNNUGPDVRRM-INIZCTEOSA-N 2 2 342.487 3.193 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464438 1438120398 /nfs/dbraw/zinc/12/03/98/1438120398.db2.gz XYKUYAZLNSNIIP-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464438 1438120399 /nfs/dbraw/zinc/12/03/99/1438120399.db2.gz XYKUYAZLNSNIIP-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464438 1438120400 /nfs/dbraw/zinc/12/04/00/1438120400.db2.gz XYKUYAZLNSNIIP-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464438 1438120401 /nfs/dbraw/zinc/12/04/01/1438120401.db2.gz XYKUYAZLNSNIIP-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CCCC(C)C)ccn12 ZINC001751976399 1440129961 /nfs/dbraw/zinc/12/99/61/1440129961.db2.gz YXRIAWGNVDFXEZ-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CCCC(C)C)ccn12 ZINC001751976399 1440129962 /nfs/dbraw/zinc/12/99/62/1440129962.db2.gz YXRIAWGNVDFXEZ-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC1CCC(C(C)(C)C)CC1 ZINC001752137498 1440143898 /nfs/dbraw/zinc/14/38/98/1440143898.db2.gz UGWQNUCEVMYEHL-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC1CCC(C(C)(C)C)CC1 ZINC001752137498 1440143899 /nfs/dbraw/zinc/14/38/99/1440143899.db2.gz UGWQNUCEVMYEHL-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP O=C(NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001752468651 1440184134 /nfs/dbraw/zinc/18/41/34/1440184134.db2.gz KZPGSUYTSMPNGS-LJQANCHMSA-N 2 2 340.471 3.241 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999260 1440263640 /nfs/dbraw/zinc/26/36/40/1440263640.db2.gz WQZWNYCEFDTQPI-SJLPKXTDSA-N 2 2 334.508 3.193 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999260 1440263641 /nfs/dbraw/zinc/26/36/41/1440263641.db2.gz WQZWNYCEFDTQPI-SJLPKXTDSA-N 2 2 334.508 3.193 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753127832 1440315598 /nfs/dbraw/zinc/31/55/98/1440315598.db2.gz WGGOLNQAYXFDCK-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753127832 1440315599 /nfs/dbraw/zinc/31/55/99/1440315599.db2.gz WGGOLNQAYXFDCK-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753127832 1440315600 /nfs/dbraw/zinc/31/56/00/1440315600.db2.gz WGGOLNQAYXFDCK-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753127832 1440315601 /nfs/dbraw/zinc/31/56/01/1440315601.db2.gz WGGOLNQAYXFDCK-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129096 1440316082 /nfs/dbraw/zinc/31/60/82/1440316082.db2.gz JUKIUQPMTOGGNO-DLBZAZTESA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129096 1440316083 /nfs/dbraw/zinc/31/60/83/1440316083.db2.gz JUKIUQPMTOGGNO-DLBZAZTESA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1)n1cc[nH+]c1 ZINC001753550737 1440435038 /nfs/dbraw/zinc/43/50/38/1440435038.db2.gz WUQFGSKNFFSGQO-RTBURBONSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001753586671 1440441559 /nfs/dbraw/zinc/44/15/59/1440441559.db2.gz XUZGDLZYIWSLDM-KBAYOESNSA-N 2 2 344.503 3.106 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001753586671 1440441560 /nfs/dbraw/zinc/44/15/60/1440441560.db2.gz XUZGDLZYIWSLDM-KBAYOESNSA-N 2 2 344.503 3.106 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]CC3=CCCCC3)ccn12 ZINC001753614268 1440449401 /nfs/dbraw/zinc/44/94/01/1440449401.db2.gz KXAUXVMBMUWOHH-HNNXBMFYSA-N 2 2 340.471 3.099 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001753742964 1440479793 /nfs/dbraw/zinc/47/97/93/1440479793.db2.gz BXQIMOOVBBOYPO-MJGOQNOKSA-N 2 2 342.487 3.073 20 0 EGADLP C[C@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754003762 1440530450 /nfs/dbraw/zinc/53/04/50/1440530450.db2.gz NCFFKNNDPGHHPR-IAGOWNOFSA-N 2 2 346.519 3.289 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001754048271 1440535549 /nfs/dbraw/zinc/53/55/49/1440535549.db2.gz KBMSOGKKCFESQU-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001754048271 1440535550 /nfs/dbraw/zinc/53/55/50/1440535550.db2.gz KBMSOGKKCFESQU-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754054186 1440536108 /nfs/dbraw/zinc/53/61/08/1440536108.db2.gz RTEZJFNQLGTFID-LJQANCHMSA-N 2 2 348.450 3.302 20 0 EGADLP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754231850 1440554230 /nfs/dbraw/zinc/55/42/30/1440554230.db2.gz SPZYLJJDYJJTST-LLVKDONJSA-N 2 2 342.365 3.003 20 0 EGADLP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001754468519 1440604887 /nfs/dbraw/zinc/60/48/87/1440604887.db2.gz OTONUKDCPWQRER-MOPGFXCFSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677309 1440660339 /nfs/dbraw/zinc/66/03/39/1440660339.db2.gz DGBFOUDSBZYEHN-AZUAARDMSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677309 1440660340 /nfs/dbraw/zinc/66/03/40/1440660340.db2.gz DGBFOUDSBZYEHN-AZUAARDMSA-N 2 2 340.471 3.005 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001754795901 1440689473 /nfs/dbraw/zinc/68/94/73/1440689473.db2.gz UUANOHARWAEXCM-ZBFHGGJFSA-N 2 2 342.487 3.439 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](CC[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001754923282 1440709574 /nfs/dbraw/zinc/70/95/74/1440709574.db2.gz LSDJJGLQVKDJNI-HQQUCIOCSA-N 2 2 335.879 3.201 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCC1 ZINC001754980895 1440721252 /nfs/dbraw/zinc/72/12/52/1440721252.db2.gz VKLPUWQBNICMEO-SNAWJCMRSA-N 2 2 340.471 3.241 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCC1 ZINC001754980894 1440721341 /nfs/dbraw/zinc/72/13/41/1440721341.db2.gz VKLPUWQBNICMEO-PLNGDYQASA-N 2 2 340.471 3.241 20 0 EGADLP CCCCCC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001755108907 1440754117 /nfs/dbraw/zinc/75/41/17/1440754117.db2.gz NJRVAOLOHHHJEY-QAPCUYQASA-N 2 2 342.487 3.273 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCCC1 ZINC001755355836 1440829323 /nfs/dbraw/zinc/82/93/23/1440829323.db2.gz WWXHAULYLAYQBV-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H]1CCc2ccccc21 ZINC001755595314 1440882532 /nfs/dbraw/zinc/88/25/32/1440882532.db2.gz MJSDOIDDSUROJG-MAUKXSAKSA-N 2 2 348.450 3.072 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001755827452 1440927696 /nfs/dbraw/zinc/92/76/96/1440927696.db2.gz LSVVYCGUBNQNJS-JKSUJKDBSA-N 2 2 348.535 3.002 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C)c(C)[nH+]1 ZINC001755828274 1440927913 /nfs/dbraw/zinc/92/79/13/1440927913.db2.gz DNWAXDOVPBVRBM-LZNQSLFOSA-N 2 2 337.895 3.493 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C)c(C)[nH+]1 ZINC001755828977 1440928117 /nfs/dbraw/zinc/92/81/17/1440928117.db2.gz VAPIEIZVOJVLBJ-CZUORRHYSA-N 2 2 337.483 3.489 20 0 EGADLP CC[C@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755833743 1440929602 /nfs/dbraw/zinc/92/96/02/1440929602.db2.gz OWVXMRUJRWTPDE-ROUUACIJSA-N 2 2 342.487 3.224 20 0 EGADLP Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000032717198 721959693 /nfs/dbraw/zinc/95/96/93/721959693.db2.gz UUDFTYWGDIBFLP-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1NC(C)C ZINC001165048245 721964639 /nfs/dbraw/zinc/96/46/39/721964639.db2.gz XWAFWASJHMJZDD-QGZVFWFLSA-N 2 2 331.508 3.450 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046067 721969744 /nfs/dbraw/zinc/96/97/44/721969744.db2.gz AEWKTYWQSOTFII-QGZVFWFLSA-N 2 2 345.487 3.330 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354235 168346099 /nfs/dbraw/zinc/34/60/99/168346099.db2.gz HKRYEHQLIUCPAR-OXJNMPFZSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354235 168346100 /nfs/dbraw/zinc/34/61/00/168346100.db2.gz HKRYEHQLIUCPAR-OXJNMPFZSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354235 168346102 /nfs/dbraw/zinc/34/61/02/168346102.db2.gz HKRYEHQLIUCPAR-OXJNMPFZSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354235 168346104 /nfs/dbraw/zinc/34/61/04/168346104.db2.gz HKRYEHQLIUCPAR-OXJNMPFZSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354236 168346239 /nfs/dbraw/zinc/34/62/39/168346239.db2.gz HKRYEHQLIUCPAR-OXQOHEQNSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354236 168346241 /nfs/dbraw/zinc/34/62/41/168346241.db2.gz HKRYEHQLIUCPAR-OXQOHEQNSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354236 168346242 /nfs/dbraw/zinc/34/62/42/168346242.db2.gz HKRYEHQLIUCPAR-OXQOHEQNSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354236 168346244 /nfs/dbraw/zinc/34/62/44/168346244.db2.gz HKRYEHQLIUCPAR-OXQOHEQNSA-N 2 2 340.471 3.442 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530558 168369247 /nfs/dbraw/zinc/36/92/47/168369247.db2.gz NLRVELWZHQJGAW-AZUAARDMSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530558 168369248 /nfs/dbraw/zinc/36/92/48/168369248.db2.gz NLRVELWZHQJGAW-AZUAARDMSA-N 2 2 326.488 3.373 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000348877464 282232674 /nfs/dbraw/zinc/23/26/74/282232674.db2.gz HCLSQPWTGRUKLG-MSOLQXFVSA-N 2 2 349.906 3.030 20 0 EGADLP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351582414 535219489 /nfs/dbraw/zinc/21/94/89/535219489.db2.gz PYUSZUDDYGYMIZ-GOSISDBHSA-N 2 2 334.504 3.001 20 0 EGADLP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351582414 535219496 /nfs/dbraw/zinc/21/94/96/535219496.db2.gz PYUSZUDDYGYMIZ-GOSISDBHSA-N 2 2 334.504 3.001 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000070533502 202335759 /nfs/dbraw/zinc/33/57/59/202335759.db2.gz HRTCOFAKFSYBIE-DGCLKSJQSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000070533502 202335763 /nfs/dbraw/zinc/33/57/63/202335763.db2.gz HRTCOFAKFSYBIE-DGCLKSJQSA-N 2 2 327.266 3.017 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252486790 201183330 /nfs/dbraw/zinc/18/33/30/201183330.db2.gz NGFWHLVZFSFNQJ-LZWOXQAQSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252486790 201183333 /nfs/dbraw/zinc/18/33/33/201183333.db2.gz NGFWHLVZFSFNQJ-LZWOXQAQSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000252486790 201183336 /nfs/dbraw/zinc/18/33/36/201183336.db2.gz NGFWHLVZFSFNQJ-LZWOXQAQSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000252486790 201183339 /nfs/dbraw/zinc/18/33/39/201183339.db2.gz NGFWHLVZFSFNQJ-LZWOXQAQSA-N 2 2 332.444 3.076 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789968 201308244 /nfs/dbraw/zinc/30/82/44/201308244.db2.gz WCPMPBFCLZMPNE-XPGWFJOJSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789968 201308247 /nfs/dbraw/zinc/30/82/47/201308247.db2.gz WCPMPBFCLZMPNE-XPGWFJOJSA-N 2 2 328.431 3.112 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282507536 201327703 /nfs/dbraw/zinc/32/77/03/201327703.db2.gz OFMQZFMGVYPJKZ-IBGZPJMESA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282507536 201327705 /nfs/dbraw/zinc/32/77/05/201327705.db2.gz OFMQZFMGVYPJKZ-IBGZPJMESA-N 3 2 326.488 3.082 20 0 EGADLP Fc1c(Br)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000294773285 201346355 /nfs/dbraw/zinc/34/63/55/201346355.db2.gz MYQDIXHOVBHDIY-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000677751239 549326340 /nfs/dbraw/zinc/32/63/40/549326340.db2.gz SOBKRPVYLRAVNF-RTBURBONSA-N 2 2 342.483 3.073 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000677751239 549326343 /nfs/dbraw/zinc/32/63/43/549326343.db2.gz SOBKRPVYLRAVNF-RTBURBONSA-N 2 2 342.483 3.073 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069803302 203050159 /nfs/dbraw/zinc/05/01/59/203050159.db2.gz MYWCXKPADBBTTH-SFHVURJKSA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069803302 203050162 /nfs/dbraw/zinc/05/01/62/203050162.db2.gz MYWCXKPADBBTTH-SFHVURJKSA-N 2 2 332.488 3.018 20 0 EGADLP CCCc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000375507514 284111451 /nfs/dbraw/zinc/11/14/51/284111451.db2.gz WZWOJYKCQUZIAB-JNAXZKDPSA-N 2 2 340.471 3.043 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860012 203325279 /nfs/dbraw/zinc/32/52/79/203325279.db2.gz OCAZMIYSZDBLLF-CABCVRRESA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860012 203325282 /nfs/dbraw/zinc/32/52/82/203325282.db2.gz OCAZMIYSZDBLLF-CABCVRRESA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860012 203325286 /nfs/dbraw/zinc/32/52/86/203325286.db2.gz OCAZMIYSZDBLLF-CABCVRRESA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860012 203325290 /nfs/dbraw/zinc/32/52/90/203325290.db2.gz OCAZMIYSZDBLLF-CABCVRRESA-N 2 2 337.895 3.473 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000076109811 203338994 /nfs/dbraw/zinc/33/89/94/203338994.db2.gz PUEWLJGVTIZCRR-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000076109811 203338997 /nfs/dbraw/zinc/33/89/97/203338997.db2.gz PUEWLJGVTIZCRR-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000076109811 203338999 /nfs/dbraw/zinc/33/89/99/203338999.db2.gz PUEWLJGVTIZCRR-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000076109811 203339002 /nfs/dbraw/zinc/33/90/02/203339002.db2.gz PUEWLJGVTIZCRR-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP Cn1c(CCC[NH2+]Cc2cccc3c2OCCO3)[nH+]c2ccccc21 ZINC000076901096 203366525 /nfs/dbraw/zinc/36/65/25/203366525.db2.gz QUNCDZJCXKCSAY-UHFFFAOYSA-N 2 2 337.423 3.067 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109793037 204293352 /nfs/dbraw/zinc/29/33/52/204293352.db2.gz BZLVXLJRDQQSFQ-HNNXBMFYSA-N 2 2 326.444 3.110 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000111172484 204339623 /nfs/dbraw/zinc/33/96/23/204339623.db2.gz FKUDTPFCBUVRTG-UHFFFAOYSA-N 2 2 328.460 3.132 20 0 EGADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000121165656 204784365 /nfs/dbraw/zinc/78/43/65/204784365.db2.gz OFKZQCVCWHOJHS-KBPBESRZSA-N 2 2 329.941 3.326 20 0 EGADLP COCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000126129479 205042167 /nfs/dbraw/zinc/04/21/67/205042167.db2.gz MCSSVGXUOSHHBI-UHFFFAOYSA-N 2 2 329.375 3.349 20 0 EGADLP C[C@@](O)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000155082367 205983107 /nfs/dbraw/zinc/98/31/07/205983107.db2.gz HVFVSGXUHKUJDT-LJQANCHMSA-N 2 2 345.874 3.201 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158576201 206200020 /nfs/dbraw/zinc/20/00/20/206200020.db2.gz WESYGGOQZNJSMR-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158576201 206200024 /nfs/dbraw/zinc/20/00/24/206200024.db2.gz WESYGGOQZNJSMR-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158576201 206200029 /nfs/dbraw/zinc/20/00/29/206200029.db2.gz WESYGGOQZNJSMR-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158576201 206200033 /nfs/dbraw/zinc/20/00/33/206200033.db2.gz WESYGGOQZNJSMR-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)o1 ZINC000266193338 248162844 /nfs/dbraw/zinc/16/28/44/248162844.db2.gz ZFMWVTXRFRXRPA-IBGZPJMESA-N 2 2 325.412 3.079 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266132267 248118570 /nfs/dbraw/zinc/11/85/70/248118570.db2.gz RKUKYUUPPDHZNX-LLVKDONJSA-N 2 2 344.286 3.394 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000266146966 248129791 /nfs/dbraw/zinc/12/97/91/248129791.db2.gz MPMUZLPGGSUSCP-HNNXBMFYSA-N 2 2 325.456 3.241 20 0 EGADLP Cc1cnn(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000377644961 169053417 /nfs/dbraw/zinc/05/34/17/169053417.db2.gz FZEYNWZIMITTOH-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cnn(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000377644961 169053419 /nfs/dbraw/zinc/05/34/19/169053419.db2.gz FZEYNWZIMITTOH-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cnn(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000377644961 169053421 /nfs/dbraw/zinc/05/34/21/169053421.db2.gz FZEYNWZIMITTOH-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cnn(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000377644961 169053423 /nfs/dbraw/zinc/05/34/23/169053423.db2.gz FZEYNWZIMITTOH-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1F ZINC000378372964 169108785 /nfs/dbraw/zinc/10/87/85/169108785.db2.gz SMMRXZHRLLWQHF-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1F ZINC000378372964 169108787 /nfs/dbraw/zinc/10/87/87/169108787.db2.gz SMMRXZHRLLWQHF-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP c1cn(CCC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000378445000 169122477 /nfs/dbraw/zinc/12/24/77/169122477.db2.gz PKZZSOOCDQPTCW-UHFFFAOYSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000378445000 169122478 /nfs/dbraw/zinc/12/24/78/169122478.db2.gz PKZZSOOCDQPTCW-UHFFFAOYSA-N 3 2 338.499 3.261 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000378617250 169148047 /nfs/dbraw/zinc/14/80/47/169148047.db2.gz MUQJCTGIIZAVDK-PBHICJAKSA-N 2 2 326.444 3.378 20 0 EGADLP COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267397037 251019676 /nfs/dbraw/zinc/01/96/76/251019676.db2.gz PZDMSMSUBSXCOA-INIZCTEOSA-N 2 2 336.439 3.339 20 0 EGADLP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267397037 251019680 /nfs/dbraw/zinc/01/96/80/251019680.db2.gz PZDMSMSUBSXCOA-INIZCTEOSA-N 2 2 336.439 3.339 20 0 EGADLP COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267397043 251019994 /nfs/dbraw/zinc/01/99/94/251019994.db2.gz PZDMSMSUBSXCOA-MRXNPFEDSA-N 2 2 336.439 3.339 20 0 EGADLP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267397043 251019997 /nfs/dbraw/zinc/01/99/97/251019997.db2.gz PZDMSMSUBSXCOA-MRXNPFEDSA-N 2 2 336.439 3.339 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267466692 251083827 /nfs/dbraw/zinc/08/38/27/251083827.db2.gz WNKVUBUXPDYNSC-MRXNPFEDSA-N 2 2 327.428 3.391 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267466692 251083830 /nfs/dbraw/zinc/08/38/30/251083830.db2.gz WNKVUBUXPDYNSC-MRXNPFEDSA-N 2 2 327.428 3.391 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CCC(OC4CCCC4)CC3)cn2)c[nH+]1 ZINC000177087732 207293101 /nfs/dbraw/zinc/29/31/01/207293101.db2.gz XCOPXPBRIKTMMB-UHFFFAOYSA-N 2 2 326.444 3.191 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1nc(-c2ccccc2)no1 ZINC000177318539 207319826 /nfs/dbraw/zinc/31/98/26/207319826.db2.gz FZQKTDVHZAIUAL-MSOLQXFVSA-N 2 2 340.471 3.228 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1nc(-c2ccccc2)no1 ZINC000177318539 207319831 /nfs/dbraw/zinc/31/98/31/207319831.db2.gz FZQKTDVHZAIUAL-MSOLQXFVSA-N 2 2 340.471 3.228 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000177318539 207319835 /nfs/dbraw/zinc/31/98/35/207319835.db2.gz FZQKTDVHZAIUAL-MSOLQXFVSA-N 2 2 340.471 3.228 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000177318539 207319840 /nfs/dbraw/zinc/31/98/40/207319840.db2.gz FZQKTDVHZAIUAL-MSOLQXFVSA-N 2 2 340.471 3.228 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818481 252268574 /nfs/dbraw/zinc/26/85/74/252268574.db2.gz GVQSIOKVHNQEPM-FUHWJXTLSA-N 2 2 341.503 3.267 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818481 252268577 /nfs/dbraw/zinc/26/85/77/252268577.db2.gz GVQSIOKVHNQEPM-FUHWJXTLSA-N 2 2 341.503 3.267 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC(F)F ZINC000268811152 252263350 /nfs/dbraw/zinc/26/33/50/252263350.db2.gz KUZDQEAXRXGCEM-NEPJUHHUSA-N 2 2 325.359 3.232 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000268854072 252301108 /nfs/dbraw/zinc/30/11/08/252301108.db2.gz XGOYJFAKLFNHCN-UONOGXRCSA-N 2 2 327.407 3.256 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000119424493 221317522 /nfs/dbraw/zinc/31/75/22/221317522.db2.gz FTKKJIUAGCKBKD-CYBMUJFWSA-N 2 2 330.457 3.020 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000119424493 221317524 /nfs/dbraw/zinc/31/75/24/221317524.db2.gz FTKKJIUAGCKBKD-CYBMUJFWSA-N 2 2 330.457 3.020 20 0 EGADLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccco1 ZINC000305148836 258016102 /nfs/dbraw/zinc/01/61/02/258016102.db2.gz OBWQJMKLZMQDSC-IBGZPJMESA-N 2 2 348.874 3.395 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1F ZINC000183308624 533339013 /nfs/dbraw/zinc/33/90/13/533339013.db2.gz QOPLJQHWVYWWFF-BVGQSLNGSA-N 2 2 338.442 3.383 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[C@H]1OC ZINC000246529302 141014278 /nfs/dbraw/zinc/01/42/78/141014278.db2.gz VHHRYDPPBWKQJG-VBSBHUPXSA-N 2 2 345.531 3.475 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[C@H]1OC ZINC000246529302 141014280 /nfs/dbraw/zinc/01/42/80/141014280.db2.gz VHHRYDPPBWKQJG-VBSBHUPXSA-N 2 2 345.531 3.475 20 0 EGADLP Cc1c[nH+]c(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000342797678 141149350 /nfs/dbraw/zinc/14/93/50/141149350.db2.gz HKSFPPJYFSXEBB-UHFFFAOYSA-N 2 2 332.879 3.090 20 0 EGADLP Cc1c[nH+]c(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000342797678 141149351 /nfs/dbraw/zinc/14/93/51/141149351.db2.gz HKSFPPJYFSXEBB-UHFFFAOYSA-N 2 2 332.879 3.090 20 0 EGADLP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915906 141215848 /nfs/dbraw/zinc/21/58/48/141215848.db2.gz JSDSGJPNGVITQN-CXAGYDPISA-N 2 2 331.485 3.029 20 0 EGADLP C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915906 141215851 /nfs/dbraw/zinc/21/58/51/141215851.db2.gz JSDSGJPNGVITQN-CXAGYDPISA-N 2 2 331.485 3.029 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000352955755 141276827 /nfs/dbraw/zinc/27/68/27/141276827.db2.gz IXNHBWWTOMNTRC-IAGOWNOFSA-N 2 2 335.923 3.330 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000352974961 141281209 /nfs/dbraw/zinc/28/12/09/141281209.db2.gz SDNNKTYAUZXOME-IAGOWNOFSA-N 2 2 335.923 3.330 20 0 EGADLP Clc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000178437821 144071539 /nfs/dbraw/zinc/07/15/39/144071539.db2.gz BYXNJUXYCTUEBJ-GOSISDBHSA-N 2 2 333.907 3.131 20 0 EGADLP Clc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000178437821 144071540 /nfs/dbraw/zinc/07/15/40/144071540.db2.gz BYXNJUXYCTUEBJ-GOSISDBHSA-N 2 2 333.907 3.131 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)CC2)cc1 ZINC000186951509 144148339 /nfs/dbraw/zinc/14/83/39/144148339.db2.gz SQNAXOLVWGPVDM-QRVBRYPASA-N 2 2 334.891 3.462 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403299 144264162 /nfs/dbraw/zinc/26/41/62/144264162.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 3 2 329.532 3.315 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403299 144264163 /nfs/dbraw/zinc/26/41/63/144264163.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403299 144264164 /nfs/dbraw/zinc/26/41/64/144264164.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403299 144264165 /nfs/dbraw/zinc/26/41/65/144264165.db2.gz CQCRMFWRNYKIOT-LEWJYISDSA-N 3 2 329.532 3.315 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351569973 144281907 /nfs/dbraw/zinc/28/19/07/144281907.db2.gz TUFWXWVIZWPEKJ-UHFFFAOYSA-N 2 2 348.385 3.468 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1ccccc1F ZINC000361725859 144355658 /nfs/dbraw/zinc/35/56/58/144355658.db2.gz HTXDONXFIBVRAX-INIZCTEOSA-N 2 2 343.446 3.242 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000364066004 144388931 /nfs/dbraw/zinc/38/89/31/144388931.db2.gz LSQVXGAEFDAWLJ-SEVLPDGMSA-N 2 2 328.500 3.302 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000364066004 144388933 /nfs/dbraw/zinc/38/89/33/144388933.db2.gz LSQVXGAEFDAWLJ-SEVLPDGMSA-N 2 2 328.500 3.302 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2ccncc2)cc1 ZINC000341138891 155183192 /nfs/dbraw/zinc/18/31/92/155183192.db2.gz QWDVHTICXHIJCT-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2ccncc2)cc1 ZINC000341138891 155183196 /nfs/dbraw/zinc/18/31/96/155183196.db2.gz QWDVHTICXHIJCT-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[NH+](C)CCCC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000341145493 155189503 /nfs/dbraw/zinc/18/95/03/155189503.db2.gz XKPKLXXUQOMIBO-UHFFFAOYSA-N 2 2 346.338 3.459 20 0 EGADLP CCc1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000677819636 549337640 /nfs/dbraw/zinc/33/76/40/549337640.db2.gz HDIBSKYWDGVUON-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP CCc1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000677819636 549337643 /nfs/dbraw/zinc/33/76/43/549337643.db2.gz HDIBSKYWDGVUON-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+]CCCc2[nH+]c3ccccc3n2C)n1 ZINC000341344704 155244317 /nfs/dbraw/zinc/24/43/17/155244317.db2.gz FJNJJVWFTHRWHM-HNNXBMFYSA-N 2 2 338.455 3.130 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000341406618 155274430 /nfs/dbraw/zinc/27/44/30/155274430.db2.gz QMEJCZKOPBRADG-UHFFFAOYSA-N 2 2 348.535 3.145 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000072630386 307380706 /nfs/dbraw/zinc/38/07/06/307380706.db2.gz LELWKPCJSHVZHA-QGZVFWFLSA-N 2 2 325.541 3.124 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000072630386 307380709 /nfs/dbraw/zinc/38/07/09/307380709.db2.gz LELWKPCJSHVZHA-QGZVFWFLSA-N 2 2 325.541 3.124 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117785840 152114712 /nfs/dbraw/zinc/11/47/12/152114712.db2.gz WQQNGPXNAXKQGR-UHFFFAOYSA-N 2 2 328.460 3.114 20 0 EGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000119536629 152211985 /nfs/dbraw/zinc/21/19/85/152211985.db2.gz PYEDXRBDHGATAP-KRWDZBQOSA-N 2 2 339.483 3.363 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000119910550 152236952 /nfs/dbraw/zinc/23/69/52/152236952.db2.gz KQBJKLIESPVPBL-UPJWGTAASA-N 2 2 330.394 3.254 20 0 EGADLP Fc1ccc(OCCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000121705181 152366199 /nfs/dbraw/zinc/36/61/99/152366199.db2.gz TUVXGYSVQPVYDO-UHFFFAOYSA-N 2 2 343.446 3.244 20 0 EGADLP Cc1cccc(C(=O)N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000193467383 153293079 /nfs/dbraw/zinc/29/30/79/153293079.db2.gz HLWRHVZWMSYKOH-UHFFFAOYSA-N 2 2 343.515 3.019 20 0 EGADLP Cc1cccc(C(=O)N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000193467383 153293085 /nfs/dbraw/zinc/29/30/85/153293085.db2.gz HLWRHVZWMSYKOH-UHFFFAOYSA-N 2 2 343.515 3.019 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193982780 153315303 /nfs/dbraw/zinc/31/53/03/153315303.db2.gz ULBFZVREJFROIF-HSALFYBXSA-N 2 2 344.474 3.337 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCSc3ccccc3)CC2)c1 ZINC000303652963 154052793 /nfs/dbraw/zinc/05/27/93/154052793.db2.gz BNXSIHHICBTJSA-UHFFFAOYSA-N 2 2 329.469 3.005 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000336722690 154211521 /nfs/dbraw/zinc/21/15/21/154211521.db2.gz FXOHEPBMEJHZHK-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000336722690 154211525 /nfs/dbraw/zinc/21/15/25/154211525.db2.gz FXOHEPBMEJHZHK-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccoc1C(=O)OC ZINC000336876398 154226110 /nfs/dbraw/zinc/22/61/10/154226110.db2.gz RZONCSREPZOJOE-UHFFFAOYSA-N 2 2 330.428 3.198 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000337391933 154329800 /nfs/dbraw/zinc/32/98/00/154329800.db2.gz HVLVFQRNRUELEN-QGZVFWFLSA-N 2 2 332.488 3.185 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000337391933 154329802 /nfs/dbraw/zinc/32/98/02/154329802.db2.gz HVLVFQRNRUELEN-QGZVFWFLSA-N 2 2 332.488 3.185 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000337394885 154331848 /nfs/dbraw/zinc/33/18/48/154331848.db2.gz PAEPXSALBLCTGT-RLFYNMQTSA-N 2 2 332.488 3.016 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000337394885 154331850 /nfs/dbraw/zinc/33/18/50/154331850.db2.gz PAEPXSALBLCTGT-RLFYNMQTSA-N 2 2 332.488 3.016 20 0 EGADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000337409468 154338132 /nfs/dbraw/zinc/33/81/32/154338132.db2.gz WDEXGUOQQJKAGK-HNNXBMFYSA-N 2 2 335.455 3.475 20 0 EGADLP FC(F)n1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337486609 154378008 /nfs/dbraw/zinc/37/80/08/154378008.db2.gz STBGEZKNKFDZGI-ZDUSSCGKSA-N 2 2 335.402 3.191 20 0 EGADLP FC(F)n1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337486609 154378014 /nfs/dbraw/zinc/37/80/14/154378014.db2.gz STBGEZKNKFDZGI-ZDUSSCGKSA-N 2 2 335.402 3.191 20 0 EGADLP Cn1c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2[nH+]c1C1CC1 ZINC000339945336 155045343 /nfs/dbraw/zinc/04/53/43/155045343.db2.gz VBEBXBTZXMKDSV-UHFFFAOYSA-N 2 2 331.379 3.351 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1cccs1 ZINC000345305330 156045524 /nfs/dbraw/zinc/04/55/24/156045524.db2.gz PKXCLEBSVCRHHK-WRSAYESZSA-N 2 2 344.484 3.027 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]c(C)c2)[NH+]2CCCC2)cc1 ZINC000348848781 156261414 /nfs/dbraw/zinc/26/14/14/156261414.db2.gz OAKWEQGLUCTCQX-LJQANCHMSA-N 2 2 338.455 3.079 20 0 EGADLP CCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365500673 157147641 /nfs/dbraw/zinc/14/76/41/157147641.db2.gz DEAIUMGBGAMLSS-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365500673 157147642 /nfs/dbraw/zinc/14/76/42/157147642.db2.gz DEAIUMGBGAMLSS-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518440 157153280 /nfs/dbraw/zinc/15/32/80/157153280.db2.gz VYBLAWMZIRVASG-UNEWFSDZSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518440 157153284 /nfs/dbraw/zinc/15/32/84/157153284.db2.gz VYBLAWMZIRVASG-UNEWFSDZSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000114199027 162223863 /nfs/dbraw/zinc/22/38/63/162223863.db2.gz HCNHDCJPKSKIBO-XLIONFOSSA-N 2 2 337.467 3.250 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000114199027 162223866 /nfs/dbraw/zinc/22/38/66/162223866.db2.gz HCNHDCJPKSKIBO-XLIONFOSSA-N 2 2 337.467 3.250 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481291 162234007 /nfs/dbraw/zinc/23/40/07/162234007.db2.gz ZDZZUCPYVGVRIK-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481291 162234009 /nfs/dbraw/zinc/23/40/09/162234009.db2.gz ZDZZUCPYVGVRIK-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP C[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000126235615 162297963 /nfs/dbraw/zinc/29/79/63/162297963.db2.gz HCSPUSWAFCYXFR-UHFFFAOYSA-N 3 2 335.923 3.236 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000354147109 165974207 /nfs/dbraw/zinc/97/42/07/165974207.db2.gz RHYLIAUJPQPPHW-UHFFFAOYSA-N 2 2 334.460 3.201 20 0 EGADLP Cc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000126370705 162301214 /nfs/dbraw/zinc/30/12/14/162301214.db2.gz QXTMCOGMVQRNRP-SFHVURJKSA-N 2 2 339.483 3.412 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000305103178 163073559 /nfs/dbraw/zinc/07/35/59/163073559.db2.gz BZNADYFAGYNULY-HOCLYGCPSA-N 2 2 332.419 3.191 20 0 EGADLP O[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000305110262 163074519 /nfs/dbraw/zinc/07/45/19/163074519.db2.gz CQFKJQFKFOPMDI-CRAIPNDOSA-N 2 2 336.907 3.445 20 0 EGADLP [NH3+][C@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000337066372 163120058 /nfs/dbraw/zinc/12/00/58/163120058.db2.gz KCEHGRNRGONYRB-OALUTQOASA-N 2 2 348.450 3.096 20 0 EGADLP [NH3+][C@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000337066372 163120059 /nfs/dbraw/zinc/12/00/59/163120059.db2.gz KCEHGRNRGONYRB-OALUTQOASA-N 2 2 348.450 3.096 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)ccc1Cl ZINC000337244328 163177240 /nfs/dbraw/zinc/17/72/40/163177240.db2.gz IBAVONLNXGAROK-UHFFFAOYSA-N 2 2 345.874 3.472 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)ccc1Cl ZINC000337244328 163177242 /nfs/dbraw/zinc/17/72/42/163177242.db2.gz IBAVONLNXGAROK-UHFFFAOYSA-N 2 2 345.874 3.472 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000337276253 163191250 /nfs/dbraw/zinc/19/12/50/163191250.db2.gz FBURLHXVFJSKOC-MRXNPFEDSA-N 2 2 329.444 3.308 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000338331489 163212740 /nfs/dbraw/zinc/21/27/40/163212740.db2.gz IMUAYBPOQDPTBF-KRWDZBQOSA-N 2 2 339.487 3.072 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000338331489 163212743 /nfs/dbraw/zinc/21/27/43/163212743.db2.gz IMUAYBPOQDPTBF-KRWDZBQOSA-N 2 2 339.487 3.072 20 0 EGADLP C[NH+](C)C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000338753267 163338342 /nfs/dbraw/zinc/33/83/42/163338342.db2.gz BDSXGNHBDMDBCJ-INIZCTEOSA-N 2 2 342.830 3.020 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2cnn(C)c2)c1 ZINC000338945893 163399761 /nfs/dbraw/zinc/39/97/61/163399761.db2.gz XVWJREDEFHJFRS-HXUWFJFHSA-N 2 2 348.450 3.444 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2cnn(C)c2)c1 ZINC000338945893 163399765 /nfs/dbraw/zinc/39/97/65/163399765.db2.gz XVWJREDEFHJFRS-HXUWFJFHSA-N 2 2 348.450 3.444 20 0 EGADLP COCCC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000339014863 163429974 /nfs/dbraw/zinc/42/99/74/163429974.db2.gz MTNIQMFXAMFDMC-UHFFFAOYSA-N 2 2 334.508 3.058 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107086 164104629 /nfs/dbraw/zinc/10/46/29/164104629.db2.gz RFIPAQYPNSKVMI-QZTJIDSGSA-N 2 2 349.494 3.232 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107086 164104631 /nfs/dbraw/zinc/10/46/31/164104631.db2.gz RFIPAQYPNSKVMI-QZTJIDSGSA-N 2 2 349.494 3.232 20 0 EGADLP CCCCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(C)C ZINC000344166233 164118455 /nfs/dbraw/zinc/11/84/55/164118455.db2.gz KHGSFXFTZDZAGB-MSOLQXFVSA-N 2 2 340.552 3.449 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000344338583 164159901 /nfs/dbraw/zinc/15/99/01/164159901.db2.gz XOMRJXSGLFMGIN-SXLOBPIMSA-N 2 2 342.483 3.480 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000344338583 164159903 /nfs/dbraw/zinc/15/99/03/164159903.db2.gz XOMRJXSGLFMGIN-SXLOBPIMSA-N 2 2 342.483 3.480 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1Cl ZINC000346027116 164320725 /nfs/dbraw/zinc/32/07/25/164320725.db2.gz DZIDVIAGSJEOLR-KRWDZBQOSA-N 2 2 348.878 3.113 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1[nH+]c[nH]c1C)c1ccccc1Cl ZINC000346027116 164320726 /nfs/dbraw/zinc/32/07/26/164320726.db2.gz DZIDVIAGSJEOLR-KRWDZBQOSA-N 2 2 348.878 3.113 20 0 EGADLP CCn1cc([C@@H]2OCCC[C@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cn1 ZINC000354850591 166047931 /nfs/dbraw/zinc/04/79/31/166047931.db2.gz MLTVXLITPKGKDA-MOPGFXCFSA-N 2 2 328.460 3.049 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000349316259 164859958 /nfs/dbraw/zinc/85/99/58/164859958.db2.gz WIWOYJAOEPDMBL-FTRWYGJKSA-N 2 2 327.472 3.302 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000354972982 166076775 /nfs/dbraw/zinc/07/67/75/166076775.db2.gz VOJIPDOLNUPYQO-HNONPPJISA-N 2 2 342.512 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000354972982 166076778 /nfs/dbraw/zinc/07/67/78/166076778.db2.gz VOJIPDOLNUPYQO-HNONPPJISA-N 2 2 342.512 3.408 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612831 165103290 /nfs/dbraw/zinc/10/32/90/165103290.db2.gz YKMBULZTAXNJAH-WMLDXEAASA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612831 165103296 /nfs/dbraw/zinc/10/32/96/165103296.db2.gz YKMBULZTAXNJAH-WMLDXEAASA-N 2 2 328.859 3.221 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000351906813 165145363 /nfs/dbraw/zinc/14/53/63/165145363.db2.gz ZQVITMUBXNVRBC-OALUTQOASA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000351906813 165145367 /nfs/dbraw/zinc/14/53/67/165145367.db2.gz ZQVITMUBXNVRBC-OALUTQOASA-N 2 2 343.515 3.357 20 0 EGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000351989198 165181686 /nfs/dbraw/zinc/18/16/86/165181686.db2.gz QXIPLIIAGIEPGG-CHWSQXEVSA-N 2 2 343.924 3.118 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(C(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352078487 165223483 /nfs/dbraw/zinc/22/34/83/165223483.db2.gz YXCOOAFVTGEHSW-HOCLYGCPSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(C(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352078487 165223486 /nfs/dbraw/zinc/22/34/86/165223486.db2.gz YXCOOAFVTGEHSW-HOCLYGCPSA-N 2 2 334.414 3.278 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000357796920 166775302 /nfs/dbraw/zinc/77/53/02/166775302.db2.gz FQOLEARYPHORJS-KRWDZBQOSA-N 2 2 340.471 3.033 20 0 EGADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)ccc1F ZINC000358930545 167010449 /nfs/dbraw/zinc/01/04/49/167010449.db2.gz IFSGPHWDFLDTFL-SFHVURJKSA-N 2 2 326.431 3.098 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359058875 167054841 /nfs/dbraw/zinc/05/48/41/167054841.db2.gz ONGYAYKMRYNNIM-ROUUACIJSA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359058875 167054845 /nfs/dbraw/zinc/05/48/45/167054845.db2.gz ONGYAYKMRYNNIM-ROUUACIJSA-N 2 2 328.456 3.047 20 0 EGADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000359080538 167061622 /nfs/dbraw/zinc/06/16/22/167061622.db2.gz QUWDPNJKIVUGAM-FPOVZHCZSA-N 3 2 342.531 3.176 20 0 EGADLP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360433751 167327213 /nfs/dbraw/zinc/32/72/13/167327213.db2.gz NYIIANJZPATYBA-FQEVSTJZSA-N 2 2 337.467 3.332 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000360993746 167476419 /nfs/dbraw/zinc/47/64/19/167476419.db2.gz BYIDUXLMXVEMDC-GOSISDBHSA-N 2 2 332.488 3.249 20 0 EGADLP C[C@H](CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792282 168044063 /nfs/dbraw/zinc/04/40/63/168044063.db2.gz BLSXPSSEEUZWJR-SVFBPWRDSA-N 2 2 329.532 3.138 20 0 EGADLP C[C@H](CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792282 168044066 /nfs/dbraw/zinc/04/40/66/168044066.db2.gz BLSXPSSEEUZWJR-SVFBPWRDSA-N 2 2 329.532 3.138 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000366956422 168161134 /nfs/dbraw/zinc/16/11/34/168161134.db2.gz ZOMDAQXUJXCOSQ-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000366956422 168161136 /nfs/dbraw/zinc/16/11/36/168161136.db2.gz ZOMDAQXUJXCOSQ-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000367437662 168225177 /nfs/dbraw/zinc/22/51/77/168225177.db2.gz JKTYZDJHJYROTL-INIZCTEOSA-N 3 2 342.487 3.011 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000173954392 265014041 /nfs/dbraw/zinc/01/40/41/265014041.db2.gz YBIYAKMKDQLRKW-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000173954392 265014043 /nfs/dbraw/zinc/01/40/43/265014043.db2.gz YBIYAKMKDQLRKW-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000173954392 265014045 /nfs/dbraw/zinc/01/40/45/265014045.db2.gz YBIYAKMKDQLRKW-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000173954392 265014047 /nfs/dbraw/zinc/01/40/47/265014047.db2.gz YBIYAKMKDQLRKW-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174216668 265032948 /nfs/dbraw/zinc/03/29/48/265032948.db2.gz FZOVKKSIAJCDTK-SJLPKXTDSA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174216668 265032950 /nfs/dbraw/zinc/03/29/50/265032950.db2.gz FZOVKKSIAJCDTK-SJLPKXTDSA-N 2 2 331.504 3.240 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1Cl ZINC000272202111 266790842 /nfs/dbraw/zinc/79/08/42/266790842.db2.gz JEGUUPOFWNZSKC-DZGCQCFKSA-N 2 2 345.878 3.443 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000274274151 267210211 /nfs/dbraw/zinc/21/02/11/267210211.db2.gz XFDDRVHANNOVNN-QWHCGFSZSA-N 2 2 334.489 3.199 20 0 EGADLP C[C@](O)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000274323579 267217847 /nfs/dbraw/zinc/21/78/47/267217847.db2.gz XTUIXSGNLDGPEX-IBGZPJMESA-N 2 2 345.874 3.201 20 0 EGADLP CC(C)[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+](C)C ZINC000278265729 267975259 /nfs/dbraw/zinc/97/52/59/267975259.db2.gz YPGWBURIWBEZAC-GOSISDBHSA-N 2 2 340.471 3.411 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4c3cccc4F)[nH+]c2)C1 ZINC000346983538 273817459 /nfs/dbraw/zinc/81/74/59/273817459.db2.gz ZPVUEVPQHFPPHT-HNAYVOBHSA-N 2 2 340.446 3.460 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000184285664 275211693 /nfs/dbraw/zinc/21/16/93/275211693.db2.gz KEGPEFHRGUHVMZ-QGZVFWFLSA-N 2 2 325.456 3.073 20 0 EGADLP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000237876065 275232115 /nfs/dbraw/zinc/23/21/15/275232115.db2.gz WAEDGLMPMOHXLE-UHFFFAOYSA-N 2 2 347.409 3.437 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1noc(C)n1 ZINC000278750979 275271605 /nfs/dbraw/zinc/27/16/05/275271605.db2.gz XAZDWMGJCVFCQY-AWEZNQCLSA-N 2 2 329.448 3.073 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1noc(C)n1 ZINC000278750979 275271606 /nfs/dbraw/zinc/27/16/06/275271606.db2.gz XAZDWMGJCVFCQY-AWEZNQCLSA-N 2 2 329.448 3.073 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000282617424 275653816 /nfs/dbraw/zinc/65/38/16/275653816.db2.gz NZSHINUYYAVVPM-HNNXBMFYSA-N 2 2 332.879 3.179 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283064759 275694871 /nfs/dbraw/zinc/69/48/71/275694871.db2.gz IMAICYSOBQINLE-MRXNPFEDSA-N 2 2 332.835 3.468 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000283152816 275701251 /nfs/dbraw/zinc/70/12/51/275701251.db2.gz IAVPNUUBYVTIBN-QGTPRVQTSA-N 2 2 327.428 3.043 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000285664374 275900937 /nfs/dbraw/zinc/90/09/37/275900937.db2.gz TUDYCTONXQXLIP-UHFFFAOYSA-N 2 2 328.435 3.177 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000286429037 275998910 /nfs/dbraw/zinc/99/89/10/275998910.db2.gz RPZXRVXGQCYJBJ-ZFWWWQNUSA-N 2 2 331.847 3.188 20 0 EGADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000286776665 276042434 /nfs/dbraw/zinc/04/24/34/276042434.db2.gz IRNKEKGJOFCBQL-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP CCc1nc(N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000286941788 276060847 /nfs/dbraw/zinc/06/08/47/276060847.db2.gz RFMZCOQDWTWCFL-UHFFFAOYSA-N 2 2 337.402 3.235 20 0 EGADLP CCc1nc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)cc(C)[nH+]1 ZINC000286941788 276060849 /nfs/dbraw/zinc/06/08/49/276060849.db2.gz RFMZCOQDWTWCFL-UHFFFAOYSA-N 2 2 337.402 3.235 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000287121799 276086486 /nfs/dbraw/zinc/08/64/86/276086486.db2.gz KKRLADPQAVQAPG-OAHLLOKOSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000287121799 276086487 /nfs/dbraw/zinc/08/64/87/276086487.db2.gz KKRLADPQAVQAPG-OAHLLOKOSA-N 2 2 326.444 3.355 20 0 EGADLP OCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000287142493 276088926 /nfs/dbraw/zinc/08/89/26/276088926.db2.gz SHHWASLJLPBCLE-GOSISDBHSA-N 2 2 345.874 3.417 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541020 276165622 /nfs/dbraw/zinc/16/56/22/276165622.db2.gz UAVKCTBRBPFQKO-ABSDTBQOSA-N 2 2 341.503 3.281 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541020 276165624 /nfs/dbraw/zinc/16/56/24/276165624.db2.gz UAVKCTBRBPFQKO-ABSDTBQOSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541020 276165625 /nfs/dbraw/zinc/16/56/25/276165625.db2.gz UAVKCTBRBPFQKO-ABSDTBQOSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541020 276165626 /nfs/dbraw/zinc/16/56/26/276165626.db2.gz UAVKCTBRBPFQKO-ABSDTBQOSA-N 2 2 341.503 3.281 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288731825 276246322 /nfs/dbraw/zinc/24/63/22/276246322.db2.gz FQYRQVYFFMGWAY-AEFFLSMTSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288731825 276246323 /nfs/dbraw/zinc/24/63/23/276246323.db2.gz FQYRQVYFFMGWAY-AEFFLSMTSA-N 2 2 338.455 3.483 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253437 /nfs/dbraw/zinc/25/34/37/276253437.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253438 /nfs/dbraw/zinc/25/34/38/276253438.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253440 /nfs/dbraw/zinc/25/34/40/276253440.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468114 276253441 /nfs/dbraw/zinc/25/34/41/276253441.db2.gz HDHXPQRDRFHNDK-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000289206675 276304442 /nfs/dbraw/zinc/30/44/42/276304442.db2.gz WDIGBEXIVCNRKA-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000289206675 276304443 /nfs/dbraw/zinc/30/44/43/276304443.db2.gz WDIGBEXIVCNRKA-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000289275779 276314784 /nfs/dbraw/zinc/31/47/84/276314784.db2.gz OAGFNQGCUWUQCO-UHFFFAOYSA-N 3 2 327.472 3.053 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000289414344 276335390 /nfs/dbraw/zinc/33/53/90/276335390.db2.gz PVJAIYRRHANBCR-LJQANCHMSA-N 2 2 326.440 3.357 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000289506332 276349531 /nfs/dbraw/zinc/34/95/31/276349531.db2.gz DXUNTDJVPJIVQL-UHFFFAOYSA-N 2 2 331.847 3.211 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000289645858 276371539 /nfs/dbraw/zinc/37/15/39/276371539.db2.gz LGVQIOGSITWJMP-LJQANCHMSA-N 2 2 337.467 3.308 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000289645858 276371540 /nfs/dbraw/zinc/37/15/40/276371540.db2.gz LGVQIOGSITWJMP-LJQANCHMSA-N 2 2 337.467 3.308 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCn2cnc3ccccc32)CC1 ZINC000291220836 276609466 /nfs/dbraw/zinc/60/94/66/276609466.db2.gz SDRSSFGIINKABY-UHFFFAOYSA-N 2 2 340.393 3.043 20 0 EGADLP C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186320639 278335919 /nfs/dbraw/zinc/33/59/19/278335919.db2.gz OCXBXWGLQIHXIS-PBHICJAKSA-N 2 2 343.437 3.294 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173908006 279040294 /nfs/dbraw/zinc/04/02/94/279040294.db2.gz ZLSUANCOLZCURM-CJNGLKHVSA-N 2 2 330.394 3.012 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173908006 279040295 /nfs/dbraw/zinc/04/02/95/279040295.db2.gz ZLSUANCOLZCURM-CJNGLKHVSA-N 2 2 330.394 3.012 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173908006 279040298 /nfs/dbraw/zinc/04/02/98/279040298.db2.gz ZLSUANCOLZCURM-CJNGLKHVSA-N 2 2 330.394 3.012 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173908006 279040300 /nfs/dbraw/zinc/04/03/00/279040300.db2.gz ZLSUANCOLZCURM-CJNGLKHVSA-N 2 2 330.394 3.012 20 0 EGADLP CCS[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342793747 280058397 /nfs/dbraw/zinc/05/83/97/280058397.db2.gz JDBCHPAUMZBAEA-SJORKVTESA-N 2 2 342.549 3.058 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000063757934 307355789 /nfs/dbraw/zinc/35/57/89/307355789.db2.gz VAZPCEQIXMCBRT-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000063757934 307355790 /nfs/dbraw/zinc/35/57/90/307355790.db2.gz VAZPCEQIXMCBRT-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP COC(=O)c1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)oc1C ZINC000073275986 307384969 /nfs/dbraw/zinc/38/49/69/307384969.db2.gz RFZHOHSPGOXXAC-UHFFFAOYSA-N 2 2 339.395 3.192 20 0 EGADLP COC(=O)c1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)oc1C ZINC000073275986 307384972 /nfs/dbraw/zinc/38/49/72/307384972.db2.gz RFZHOHSPGOXXAC-UHFFFAOYSA-N 2 2 339.395 3.192 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084798 309060023 /nfs/dbraw/zinc/06/00/23/309060023.db2.gz XUAZCSPUAORZSI-HOTGVXAUSA-N 2 2 344.528 3.454 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084798 309060024 /nfs/dbraw/zinc/06/00/24/309060024.db2.gz XUAZCSPUAORZSI-HOTGVXAUSA-N 2 2 344.528 3.454 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414120763 309062186 /nfs/dbraw/zinc/06/21/86/309062186.db2.gz YLOCIECEAKLFEU-ABSDTBQOSA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414120763 309062187 /nfs/dbraw/zinc/06/21/87/309062187.db2.gz YLOCIECEAKLFEU-ABSDTBQOSA-N 2 2 339.483 3.274 20 0 EGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000153161841 307767475 /nfs/dbraw/zinc/76/74/75/307767475.db2.gz BHBBZNXRUQLLDX-CABCVRRESA-N 2 2 342.430 3.215 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414210513 309066822 /nfs/dbraw/zinc/06/68/22/309066822.db2.gz OQYVXBDJWWWIHY-CEWLAPEOSA-N 2 2 338.499 3.293 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414210513 309066823 /nfs/dbraw/zinc/06/68/23/309066823.db2.gz OQYVXBDJWWWIHY-CEWLAPEOSA-N 2 2 338.499 3.293 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1csnn1 ZINC000414298003 309071227 /nfs/dbraw/zinc/07/12/27/309071227.db2.gz IITZDYBHDUUYON-QSPRXWTASA-N 2 2 328.485 3.099 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1csnn1 ZINC000414298003 309071228 /nfs/dbraw/zinc/07/12/28/309071228.db2.gz IITZDYBHDUUYON-QSPRXWTASA-N 2 2 328.485 3.099 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1C(F)(F)F ZINC000414304933 309071834 /nfs/dbraw/zinc/07/18/34/309071834.db2.gz MSTKZFUBKFUIAB-NSHDSACASA-N 2 2 326.366 3.356 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000414317800 309072430 /nfs/dbraw/zinc/07/24/30/309072430.db2.gz WLGDUVGZZFAZKA-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1C ZINC000414317800 309072431 /nfs/dbraw/zinc/07/24/31/309072431.db2.gz WLGDUVGZZFAZKA-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)n1C ZINC000414360415 309075255 /nfs/dbraw/zinc/07/52/55/309075255.db2.gz AGBHSAQYZVFMDQ-UHFFFAOYSA-N 2 2 336.842 3.100 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(-c2ccncc2)cc1 ZINC000414372793 309076101 /nfs/dbraw/zinc/07/61/01/309076101.db2.gz XYLBZIPMZYCWCH-OAHLLOKOSA-N 2 2 335.455 3.399 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1 ZINC000414383594 309076914 /nfs/dbraw/zinc/07/69/14/309076914.db2.gz AJIMDIYOBZAFAX-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1 ZINC000414383594 309076915 /nfs/dbraw/zinc/07/69/15/309076915.db2.gz AJIMDIYOBZAFAX-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nn1 ZINC000414383594 309076916 /nfs/dbraw/zinc/07/69/16/309076916.db2.gz AJIMDIYOBZAFAX-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nn1 ZINC000414383594 309076917 /nfs/dbraw/zinc/07/69/17/309076917.db2.gz AJIMDIYOBZAFAX-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000414450671 309080880 /nfs/dbraw/zinc/08/08/80/309080880.db2.gz HCDHCWBHNWSTFN-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000414450671 309080881 /nfs/dbraw/zinc/08/08/81/309080881.db2.gz HCDHCWBHNWSTFN-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000414450671 309080882 /nfs/dbraw/zinc/08/08/82/309080882.db2.gz HCDHCWBHNWSTFN-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000414450671 309080883 /nfs/dbraw/zinc/08/08/83/309080883.db2.gz HCDHCWBHNWSTFN-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897029 308077420 /nfs/dbraw/zinc/07/74/20/308077420.db2.gz GFZAONNFTQNZHV-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897029 308077422 /nfs/dbraw/zinc/07/74/22/308077422.db2.gz GFZAONNFTQNZHV-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897029 308077424 /nfs/dbraw/zinc/07/74/24/308077424.db2.gz GFZAONNFTQNZHV-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897029 308077425 /nfs/dbraw/zinc/07/74/25/308077425.db2.gz GFZAONNFTQNZHV-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H](O)C(C)C)cc1 ZINC000292977012 308086249 /nfs/dbraw/zinc/08/62/49/308086249.db2.gz QQMLEWVVEISULK-HXUWFJFHSA-N 2 2 345.487 3.191 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](O)C(C)C)cc1 ZINC000292977012 308086250 /nfs/dbraw/zinc/08/62/50/308086250.db2.gz QQMLEWVVEISULK-HXUWFJFHSA-N 2 2 345.487 3.191 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087784 308098291 /nfs/dbraw/zinc/09/82/91/308098291.db2.gz WSZUXBBHGRUGHE-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087784 308098292 /nfs/dbraw/zinc/09/82/92/308098292.db2.gz WSZUXBBHGRUGHE-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293087784 308098293 /nfs/dbraw/zinc/09/82/93/308098293.db2.gz WSZUXBBHGRUGHE-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087784 308098294 /nfs/dbraw/zinc/09/82/94/308098294.db2.gz WSZUXBBHGRUGHE-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225601 308111396 /nfs/dbraw/zinc/11/13/96/308111396.db2.gz AORPUBCEYCNGTM-CRAIPNDOSA-N 2 2 345.466 3.277 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225601 308111399 /nfs/dbraw/zinc/11/13/99/308111399.db2.gz AORPUBCEYCNGTM-CRAIPNDOSA-N 2 2 345.466 3.277 20 0 EGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293742121 308157810 /nfs/dbraw/zinc/15/78/10/308157810.db2.gz VYTRYDDZVSRZSL-HXUWFJFHSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293742121 308157811 /nfs/dbraw/zinc/15/78/11/308157811.db2.gz VYTRYDDZVSRZSL-HXUWFJFHSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293742121 308157812 /nfs/dbraw/zinc/15/78/12/308157812.db2.gz VYTRYDDZVSRZSL-HXUWFJFHSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293742121 308157813 /nfs/dbraw/zinc/15/78/13/308157813.db2.gz VYTRYDDZVSRZSL-HXUWFJFHSA-N 2 2 326.488 3.364 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CS[C@@H](C)C3)c[nH+]c12 ZINC000414498942 309084839 /nfs/dbraw/zinc/08/48/39/309084839.db2.gz NUBVSUKORYKJGL-JQWIXIFHSA-N 2 2 340.290 3.389 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccncc3C)CC2)c1 ZINC000294643250 308241145 /nfs/dbraw/zinc/24/11/45/308241145.db2.gz BFGLRKQBALWLHH-UHFFFAOYSA-N 2 2 338.499 3.000 20 0 EGADLP Fc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(F)cn1 ZINC000294707303 308248112 /nfs/dbraw/zinc/24/81/12/308248112.db2.gz BEIIFCXXQBRUIX-MRXNPFEDSA-N 2 2 331.410 3.014 20 0 EGADLP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)cn1 ZINC000294707303 308248114 /nfs/dbraw/zinc/24/81/14/308248114.db2.gz BEIIFCXXQBRUIX-MRXNPFEDSA-N 2 2 331.410 3.014 20 0 EGADLP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000294773178 308255416 /nfs/dbraw/zinc/25/54/16/308255416.db2.gz NJIFIZBYLFXQSN-KRWDZBQOSA-N 2 2 347.532 3.303 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295665554 308348597 /nfs/dbraw/zinc/34/85/97/308348597.db2.gz WOEPQTMWPUCWEE-CYBMUJFWSA-N 2 2 348.878 3.309 20 0 EGADLP Brc1ccccc1C[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000295904114 308372964 /nfs/dbraw/zinc/37/29/64/308372964.db2.gz IWKNFWXAJHCMLD-INIZCTEOSA-N 2 2 334.261 3.257 20 0 EGADLP CCOC(=O)c1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)[nH]c1C ZINC000296540909 308438576 /nfs/dbraw/zinc/43/85/76/308438576.db2.gz TWPHZLKWHMIEPM-UHFFFAOYSA-N 2 2 340.427 3.099 20 0 EGADLP CC(C)(C)[NH2+]CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414752425 309098881 /nfs/dbraw/zinc/09/88/81/309098881.db2.gz KQCQIHNPCNTJTP-UHFFFAOYSA-N 3 2 329.532 3.363 20 0 EGADLP CC(C)(C)[NH2+]CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000414752425 309098882 /nfs/dbraw/zinc/09/88/82/309098882.db2.gz KQCQIHNPCNTJTP-UHFFFAOYSA-N 3 2 329.532 3.363 20 0 EGADLP Clc1ccc(OCc2nc(C[NH2+]C3CC[NH2+]CC3)cs2)cc1 ZINC000414781263 309100713 /nfs/dbraw/zinc/10/07/13/309100713.db2.gz BXOPLNTULSJNAW-UHFFFAOYSA-N 2 2 337.876 3.217 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC1 ZINC000414793057 309101590 /nfs/dbraw/zinc/10/15/90/309101590.db2.gz CZBXFTPKDCADMO-GOSISDBHSA-N 2 2 343.858 3.419 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1OCc1cccs1 ZINC000414822327 309103857 /nfs/dbraw/zinc/10/38/57/309103857.db2.gz DUGROJCOQNNBQN-HNNXBMFYSA-N 2 2 332.469 3.177 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)C1CCCCC1 ZINC000414832130 309104438 /nfs/dbraw/zinc/10/44/38/309104438.db2.gz DKAYHMCUZRRWIX-CYBMUJFWSA-N 2 2 342.386 3.014 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000299473108 308676182 /nfs/dbraw/zinc/67/61/82/308676182.db2.gz AWTFAMMHHSVBJY-UHFFFAOYSA-N 2 2 340.471 3.271 20 0 EGADLP Cc1ccc([C@H](CNc2nc(N)c3ccccc3[nH+]2)[NH+]2CCCC2)o1 ZINC000301874632 308719420 /nfs/dbraw/zinc/71/94/20/308719420.db2.gz JUOHBTUKLRIUPB-INIZCTEOSA-N 2 2 337.427 3.362 20 0 EGADLP CCc1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000302073017 308728085 /nfs/dbraw/zinc/72/80/85/308728085.db2.gz FVUPONVGYYWEPZ-UHFFFAOYSA-N 2 2 339.487 3.494 20 0 EGADLP COc1ccc(Cl)cc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000302321481 308735947 /nfs/dbraw/zinc/73/59/47/308735947.db2.gz RJLZPIGXXVNRMN-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000333760968 308867787 /nfs/dbraw/zinc/86/77/87/308867787.db2.gz CQKCMONJTRCXRW-QAPCUYQASA-N 2 2 349.837 3.360 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC000411556133 308944096 /nfs/dbraw/zinc/94/40/96/308944096.db2.gz XLLSOLPWUUTCKB-KBPBESRZSA-N 2 2 348.516 3.387 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414864620 309106245 /nfs/dbraw/zinc/10/62/45/309106245.db2.gz BSJCTRGGNPFQKB-ONGXEEELSA-N 2 2 349.784 3.027 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2sc(C)nc2C)cc1 ZINC000414877520 309106794 /nfs/dbraw/zinc/10/67/94/309106794.db2.gz GAWZVPDEMLLEOA-SJORKVTESA-N 2 2 331.485 3.004 20 0 EGADLP COCc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)c1 ZINC000414889498 309107467 /nfs/dbraw/zinc/10/74/67/309107467.db2.gz SULHFMJYIGCFKT-SFTDATJTSA-N 2 2 340.467 3.077 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)n1 ZINC000414934608 309109921 /nfs/dbraw/zinc/10/99/21/309109921.db2.gz FIASVAHCSLPNSP-MGPUTAFESA-N 2 2 335.451 3.464 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414943573 309110484 /nfs/dbraw/zinc/11/04/84/309110484.db2.gz FOEYFCUJHAIIML-VQIMIIECSA-N 2 2 332.394 3.209 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)C[NH3+])c1 ZINC000414948015 309110669 /nfs/dbraw/zinc/11/06/69/309110669.db2.gz WJHLJWKIUUTVKY-KRWDZBQOSA-N 2 2 334.467 3.344 20 0 EGADLP Fc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000414953957 309111076 /nfs/dbraw/zinc/11/10/76/309111076.db2.gz SDGUBWUHLUSGDQ-ACJLOTCBSA-N 2 2 338.348 3.478 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414956359 309111211 /nfs/dbraw/zinc/11/12/11/309111211.db2.gz PMNBRXHTPGRXRI-NHYWBVRUSA-N 2 2 338.377 3.326 20 0 EGADLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414985074 309112767 /nfs/dbraw/zinc/11/27/67/309112767.db2.gz VNPZRSZWLKUHHK-INIZCTEOSA-N 2 2 331.847 3.419 20 0 EGADLP FC(F)COc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415032880 309115455 /nfs/dbraw/zinc/11/54/55/309115455.db2.gz BFFSHMGXLVTVKW-ZWKOTPCHSA-N 2 2 332.394 3.176 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)ccc1OCC(F)(F)F ZINC000415043475 309116260 /nfs/dbraw/zinc/11/62/60/309116260.db2.gz RHUBDMZFVJGCEC-HNNXBMFYSA-N 2 2 346.393 3.257 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000415065808 309117857 /nfs/dbraw/zinc/11/78/57/309117857.db2.gz NNOZKANSAKADCH-GOSISDBHSA-N 2 2 328.456 3.364 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000415069671 309118068 /nfs/dbraw/zinc/11/80/68/309118068.db2.gz TUGHBIHZWINLSQ-IBGZPJMESA-N 2 2 326.488 3.278 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CCCO1 ZINC000415106014 309120661 /nfs/dbraw/zinc/12/06/61/309120661.db2.gz JAHGTJHNMATUMO-CQSZACIVSA-N 2 2 343.452 3.106 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CCCO1 ZINC000415106014 309120662 /nfs/dbraw/zinc/12/06/62/309120662.db2.gz JAHGTJHNMATUMO-CQSZACIVSA-N 2 2 343.452 3.106 20 0 EGADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415132784 309122844 /nfs/dbraw/zinc/12/28/44/309122844.db2.gz LZDOJMUGEGIRDD-UXHICEINSA-N 3 2 329.532 3.394 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000415134185 309122950 /nfs/dbraw/zinc/12/29/50/309122950.db2.gz OBTGXRBDQWBFTI-UHFFFAOYSA-N 3 2 349.931 3.485 20 0 EGADLP C[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C[NH3+] ZINC000415188881 309125520 /nfs/dbraw/zinc/12/55/20/309125520.db2.gz RTHBLKUWSKGRCG-HUUCEWRRSA-N 2 2 340.427 3.323 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC[NH2+]CC)c1 ZINC000415299390 309130408 /nfs/dbraw/zinc/13/04/08/309130408.db2.gz YLRFCIJSMBJHDP-UHFFFAOYSA-N 2 2 329.448 3.081 20 0 EGADLP Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000415432999 309133362 /nfs/dbraw/zinc/13/33/62/309133362.db2.gz HSVBOTNQQONSSB-LIRRHRJNSA-N 2 2 345.491 3.018 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)CCC[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000415453459 309133929 /nfs/dbraw/zinc/13/39/29/309133929.db2.gz LLCWTRKGDQJVGB-LSDHHAIUSA-N 2 2 333.480 3.018 20 0 EGADLP CC[N@H+](CCCNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000415989542 309153223 /nfs/dbraw/zinc/15/32/23/309153223.db2.gz LLDDYWIYWZORPH-UHFFFAOYSA-N 2 2 340.471 3.444 20 0 EGADLP CC[N@@H+](CCCNC(=O)Nc1ccc(C[NH2+]C)cc1)c1ccccc1 ZINC000415989542 309153224 /nfs/dbraw/zinc/15/32/24/309153224.db2.gz LLDDYWIYWZORPH-UHFFFAOYSA-N 2 2 340.471 3.444 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CC1 ZINC000417376241 309203432 /nfs/dbraw/zinc/20/34/32/309203432.db2.gz DBGLTOLKZLBWIP-LBPRGKRZSA-N 2 2 343.393 3.106 20 0 EGADLP CCCc1[nH+]c(C)cc(OCCCn2cc[nH+]c2C)c1C(=O)OC ZINC000419049666 309260024 /nfs/dbraw/zinc/26/00/24/309260024.db2.gz XNYPZMJFWWTPKN-UHFFFAOYSA-N 2 2 331.416 3.103 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C3CC3)cs2)cc1OC ZINC000420291896 309279728 /nfs/dbraw/zinc/27/97/28/309279728.db2.gz OJAAYZAXGHAABV-GOSISDBHSA-N 2 2 347.484 3.044 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296350 309279903 /nfs/dbraw/zinc/27/99/03/309279903.db2.gz DJLQVIKLFDWVQU-SUMWQHHRSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296350 309279904 /nfs/dbraw/zinc/27/99/04/309279904.db2.gz DJLQVIKLFDWVQU-SUMWQHHRSA-N 2 2 326.843 3.242 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301871 309280344 /nfs/dbraw/zinc/28/03/44/309280344.db2.gz VZKPAKGOAFHFIR-DNVCBOLYSA-N 2 2 341.430 3.047 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301871 309280345 /nfs/dbraw/zinc/28/03/45/309280345.db2.gz VZKPAKGOAFHFIR-DNVCBOLYSA-N 2 2 341.430 3.047 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326778 309282237 /nfs/dbraw/zinc/28/22/37/309282237.db2.gz XRMADODJGOAEPU-SJORKVTESA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326778 309282238 /nfs/dbraw/zinc/28/22/38/309282238.db2.gz XRMADODJGOAEPU-SJORKVTESA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420382215 309285508 /nfs/dbraw/zinc/28/55/08/309285508.db2.gz ZNIMGGUTHINYMZ-VWKPWSFCSA-N 2 2 337.467 3.268 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000420391465 309285884 /nfs/dbraw/zinc/28/58/84/309285884.db2.gz OEMQYQSMZZNFPS-LEWJYISDSA-N 2 2 342.458 3.202 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000420391465 309285885 /nfs/dbraw/zinc/28/58/85/309285885.db2.gz OEMQYQSMZZNFPS-LEWJYISDSA-N 2 2 342.458 3.202 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc(C)[nH+]1 ZINC000420812952 309296179 /nfs/dbraw/zinc/29/61/79/309296179.db2.gz GSDNNICWPNLSHW-GOSISDBHSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc(C)[nH+]1 ZINC000420812952 309296180 /nfs/dbraw/zinc/29/61/80/309296180.db2.gz GSDNNICWPNLSHW-GOSISDBHSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420819560 309296596 /nfs/dbraw/zinc/29/65/96/309296596.db2.gz GIAVAGQMUPKCDV-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420819560 309296597 /nfs/dbraw/zinc/29/65/97/309296597.db2.gz GIAVAGQMUPKCDV-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Fc1cccc2c1CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420929739 309301988 /nfs/dbraw/zinc/30/19/88/309301988.db2.gz DNQWCHWEXOFFMB-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1cccc2c1CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420929739 309301989 /nfs/dbraw/zinc/30/19/89/309301989.db2.gz DNQWCHWEXOFFMB-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP CS[C@@H]1CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420943405 309303001 /nfs/dbraw/zinc/30/30/01/309303001.db2.gz WLAXAKCRSCIYQF-LJQANCHMSA-N 2 2 334.529 3.236 20 0 EGADLP CS[C@@H]1CCCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420943405 309303002 /nfs/dbraw/zinc/30/30/02/309303002.db2.gz WLAXAKCRSCIYQF-LJQANCHMSA-N 2 2 334.529 3.236 20 0 EGADLP Fc1cccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000420954973 309303884 /nfs/dbraw/zinc/30/38/84/309303884.db2.gz WSTKAWOYPMRFCW-UHFFFAOYSA-N 2 2 340.442 3.437 20 0 EGADLP Fc1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420955486 309304121 /nfs/dbraw/zinc/30/41/21/309304121.db2.gz XHYLWNFHCDQNQV-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1cccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420955486 309304122 /nfs/dbraw/zinc/30/41/22/309304122.db2.gz XHYLWNFHCDQNQV-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420977794 309305391 /nfs/dbraw/zinc/30/53/91/309305391.db2.gz SHCGTTNMYIITRE-UHFFFAOYSA-N 2 2 326.415 3.174 20 0 EGADLP Fc1cccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420977794 309305392 /nfs/dbraw/zinc/30/53/92/309305392.db2.gz SHCGTTNMYIITRE-UHFFFAOYSA-N 2 2 326.415 3.174 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973729 309305433 /nfs/dbraw/zinc/30/54/33/309305433.db2.gz CRONTJCOWFXGQP-SFTDATJTSA-N 2 2 345.506 3.174 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN([C@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973729 309305434 /nfs/dbraw/zinc/30/54/34/309305434.db2.gz CRONTJCOWFXGQP-SFTDATJTSA-N 2 2 345.506 3.174 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421580076 309330544 /nfs/dbraw/zinc/33/05/44/309330544.db2.gz VNCWXJOGRGUHGT-UHFFFAOYSA-N 2 2 325.456 3.470 20 0 EGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000421829056 309341933 /nfs/dbraw/zinc/34/19/33/309341933.db2.gz GQFWNWIFRXNIGU-GOEBONIOSA-N 2 2 340.895 3.092 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000422014067 309351022 /nfs/dbraw/zinc/35/10/22/309351022.db2.gz FVIKSXDJSSLGQM-OALUTQOASA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000422014067 309351023 /nfs/dbraw/zinc/35/10/23/309351023.db2.gz FVIKSXDJSSLGQM-OALUTQOASA-N 2 2 349.563 3.221 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)n2)cc1 ZINC000422625998 309362800 /nfs/dbraw/zinc/36/28/00/309362800.db2.gz CYRKRIFOICMFON-CPUCHLNUSA-N 2 2 328.460 3.104 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)n2)cc1 ZINC000422625998 309362801 /nfs/dbraw/zinc/36/28/01/309362801.db2.gz CYRKRIFOICMFON-CPUCHLNUSA-N 2 2 328.460 3.104 20 0 EGADLP CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000422695899 309363631 /nfs/dbraw/zinc/36/36/31/309363631.db2.gz QLFZCJCBDRVLLP-OCCSQVGLSA-N 2 2 328.403 3.307 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])ccn2)cc1 ZINC000422708580 309364035 /nfs/dbraw/zinc/36/40/35/309364035.db2.gz JHNTVFHBRSIITD-ZWKOTPCHSA-N 2 2 327.428 3.242 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735441 309365840 /nfs/dbraw/zinc/36/58/40/309365840.db2.gz UTDRVGXSYJZLCS-OCCSQVGLSA-N 2 2 328.859 3.113 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000422739020 309366003 /nfs/dbraw/zinc/36/60/03/309366003.db2.gz KRKRNRUQNGMATO-NRSPTQNISA-N 2 2 349.478 3.265 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1Br ZINC000422780195 309367858 /nfs/dbraw/zinc/36/78/58/309367858.db2.gz HCDVFZLZCLTKFT-SUNKGSAMSA-N 2 2 327.266 3.249 20 0 EGADLP C[C@H](NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422851941 309372110 /nfs/dbraw/zinc/37/21/10/309372110.db2.gz XNFUQYPKGMPTNF-JQFCIGGWSA-N 2 2 339.886 3.346 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422872388 309373005 /nfs/dbraw/zinc/37/30/05/309373005.db2.gz GXUUPVPCKFFZRR-QRVBRYPASA-N 2 2 332.488 3.173 20 0 EGADLP C[C@H](NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887467 309374344 /nfs/dbraw/zinc/37/43/44/309374344.db2.gz YTVFZFAWTNXVLH-HNAYVOBHSA-N 2 2 341.524 3.045 20 0 EGADLP C[C@H](NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887467 309374345 /nfs/dbraw/zinc/37/43/45/309374345.db2.gz YTVFZFAWTNXVLH-HNAYVOBHSA-N 2 2 341.524 3.045 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422890293 309374395 /nfs/dbraw/zinc/37/43/95/309374395.db2.gz IBHWDUJHXHEUQP-PKOBYXMFSA-N 3 2 333.520 3.027 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000422903913 309375355 /nfs/dbraw/zinc/37/53/55/309375355.db2.gz PLIDGNQSHMBQRH-DNVCBOLYSA-N 3 2 338.430 3.060 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422932882 309376818 /nfs/dbraw/zinc/37/68/18/309376818.db2.gz ZYUZCVQMLBCILZ-BZPMIXESSA-N 2 2 332.366 3.003 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422931705 309376871 /nfs/dbraw/zinc/37/68/71/309376871.db2.gz CNMGMBUFNWMKDI-LSDHHAIUSA-N 2 2 327.266 3.207 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423056199 309383393 /nfs/dbraw/zinc/38/33/93/309383393.db2.gz FNLIDAOKZIPNRT-CZUORRHYSA-N 2 2 342.405 3.094 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085470 309385113 /nfs/dbraw/zinc/38/51/13/309385113.db2.gz KQKGCZYBHUOKOK-ORYQWCPZSA-N 2 2 349.478 3.000 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423093374 309385567 /nfs/dbraw/zinc/38/55/67/309385567.db2.gz HEVOPAJLBOHZGP-WNOSKKOXSA-N 2 2 342.405 3.308 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423108997 309386246 /nfs/dbraw/zinc/38/62/46/309386246.db2.gz MZMKPEJYUYYNAU-SNVBAGLBSA-N 2 2 341.333 3.252 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)nnn1-c1ccc(C)cc1 ZINC000423187497 309389642 /nfs/dbraw/zinc/38/96/42/309389642.db2.gz XXBJHNHNHKCWAC-OAHLLOKOSA-N 2 2 327.476 3.196 20 0 EGADLP C[NH2+]CCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423197943 309390032 /nfs/dbraw/zinc/39/00/32/309390032.db2.gz CCFQJPIQXQTEEV-HNNXBMFYSA-N 2 2 341.224 3.470 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423210962 309390566 /nfs/dbraw/zinc/39/05/66/309390566.db2.gz GUKVLXNOYTZGKU-YDHLFZDLSA-N 2 2 347.894 3.268 20 0 EGADLP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219211 309391086 /nfs/dbraw/zinc/39/10/86/309391086.db2.gz SXDODKNYJMHNOG-OAQYLSRUSA-N 2 2 337.467 3.448 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230723 309391409 /nfs/dbraw/zinc/39/14/09/309391409.db2.gz FFTUOMJEWGQMDL-YGRLFVJLSA-N 2 2 329.669 3.431 20 0 EGADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1OC ZINC000423234497 309391772 /nfs/dbraw/zinc/39/17/72/309391772.db2.gz PRTXQGVWOCFWPE-KRWDZBQOSA-N 2 2 326.444 3.063 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)nnn1-c1ccccc1 ZINC000423263519 309392924 /nfs/dbraw/zinc/39/29/24/309392924.db2.gz OREIBNBHWFOQKF-RDTXWAMCSA-N 2 2 327.476 3.134 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000423328573 309395522 /nfs/dbraw/zinc/39/55/22/309395522.db2.gz KWBLVGNKGCZLIN-SLFFLAALSA-N 2 2 325.456 3.277 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H](C)[NH3+] ZINC000423336451 309395826 /nfs/dbraw/zinc/39/58/26/309395826.db2.gz GXTGKQJUXWVVAY-RDTXWAMCSA-N 2 2 340.471 3.444 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340551 309396094 /nfs/dbraw/zinc/39/60/94/309396094.db2.gz XJTBBXAPYHNMQN-SLFFLAALSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340551 309396095 /nfs/dbraw/zinc/39/60/95/309396095.db2.gz XJTBBXAPYHNMQN-SLFFLAALSA-N 3 2 327.516 3.148 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423363504 309397224 /nfs/dbraw/zinc/39/72/24/309397224.db2.gz JFSMJKICQQIUNO-OHNRDTAOSA-N 2 2 331.410 3.465 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cn1 ZINC000423393272 309398456 /nfs/dbraw/zinc/39/84/56/309398456.db2.gz MCVQFSWPKLKTLG-MGPUTAFESA-N 2 2 335.451 3.464 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCCC2=O)c1 ZINC000423395990 309398604 /nfs/dbraw/zinc/39/86/04/309398604.db2.gz SVXJSYRBDAADGS-CRAIPNDOSA-N 2 2 329.488 3.242 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000424331848 309439348 /nfs/dbraw/zinc/43/93/48/309439348.db2.gz KAJOQJIVBMVBHL-IAGOWNOFSA-N 2 2 339.439 3.277 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)C2 ZINC000427865326 309537271 /nfs/dbraw/zinc/53/72/71/309537271.db2.gz NIPSVOJHGCTYRX-HOTGVXAUSA-N 2 2 346.272 3.108 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OC(F)F ZINC000427877257 309537516 /nfs/dbraw/zinc/53/75/16/309537516.db2.gz OGVCQISTBIWYJY-AAEUAGOBSA-N 2 2 337.370 3.159 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCN(C4CCCCC4)C3=O)n2c1 ZINC000443008423 309893437 /nfs/dbraw/zinc/89/34/37/309893437.db2.gz FYJKMFIYXYQYAS-SFHVURJKSA-N 2 2 340.471 3.056 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000446969530 309971700 /nfs/dbraw/zinc/97/17/00/309971700.db2.gz MHOPHINJXCHJGK-UHFFFAOYSA-N 2 2 326.425 3.452 20 0 EGADLP Cc1[nH+]ccn1CCCN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552340 310006164 /nfs/dbraw/zinc/00/61/64/310006164.db2.gz VARDPVJHWXJZBD-SFHVURJKSA-N 2 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552340 310006165 /nfs/dbraw/zinc/00/61/65/310006165.db2.gz VARDPVJHWXJZBD-SFHVURJKSA-N 2 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448552340 310006166 /nfs/dbraw/zinc/00/61/66/310006166.db2.gz VARDPVJHWXJZBD-SFHVURJKSA-N 2 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448552340 310006167 /nfs/dbraw/zinc/00/61/67/310006167.db2.gz VARDPVJHWXJZBD-SFHVURJKSA-N 2 2 326.488 3.036 20 0 EGADLP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000449071149 310034649 /nfs/dbraw/zinc/03/46/49/310034649.db2.gz AJEYMOHFNIXTNV-AWEZNQCLSA-N 2 2 335.373 3.456 20 0 EGADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCC1 ZINC000449101276 310037181 /nfs/dbraw/zinc/03/71/81/310037181.db2.gz UTSUEQMADNOUQE-IBGZPJMESA-N 2 2 332.488 3.066 20 0 EGADLP Brc1cccc2c(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)ccnc12 ZINC000449131928 310039305 /nfs/dbraw/zinc/03/93/05/310039305.db2.gz QKBOSJFUXLYFBJ-ZDUSSCGKSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1cccc2c(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)ccnc12 ZINC000449131928 310039306 /nfs/dbraw/zinc/03/93/06/310039306.db2.gz QKBOSJFUXLYFBJ-ZDUSSCGKSA-N 2 2 346.272 3.324 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)CCOCC1)c1ccccc1 ZINC000449153104 310040791 /nfs/dbraw/zinc/04/07/91/310040791.db2.gz CDXIGDIWYBIRQG-DFEOGRTESA-N 2 2 332.488 3.042 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000449383812 310057796 /nfs/dbraw/zinc/05/77/96/310057796.db2.gz KGGRJFGIKQKQGZ-INIZCTEOSA-N 2 2 335.458 3.113 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)C1 ZINC000449503945 310067493 /nfs/dbraw/zinc/06/74/93/310067493.db2.gz IOEPRSJWLIYSHP-CGRMTHRGSA-N 2 2 328.500 3.209 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)C1 ZINC000449503945 310067494 /nfs/dbraw/zinc/06/74/94/310067494.db2.gz IOEPRSJWLIYSHP-CGRMTHRGSA-N 2 2 328.500 3.209 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000449526608 310069351 /nfs/dbraw/zinc/06/93/51/310069351.db2.gz WTPAFRYPPGUULU-RTWAWAEBSA-N 2 2 341.499 3.388 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]CC3(C)CCC3)CC2)cc1 ZINC000449526674 310069372 /nfs/dbraw/zinc/06/93/72/310069372.db2.gz XGZGTBUWWIXPKO-UHFFFAOYSA-N 2 2 329.488 3.389 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000449588771 310074161 /nfs/dbraw/zinc/07/41/61/310074161.db2.gz QYXQRHRUEXJDKR-LBPRGKRZSA-N 2 2 341.402 3.399 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449649763 310077567 /nfs/dbraw/zinc/07/75/67/310077567.db2.gz XLGQVACLWBUKJE-HOTGVXAUSA-N 2 2 343.515 3.205 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)c[nH+]1 ZINC000449656843 310078054 /nfs/dbraw/zinc/07/80/54/310078054.db2.gz MOTNYKITPLSILR-CEXWTWQISA-N 2 2 342.487 3.306 20 0 EGADLP O=C(CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000450498774 310126719 /nfs/dbraw/zinc/12/67/19/310126719.db2.gz IBYOGWLYECWYBG-GOSISDBHSA-N 2 2 328.387 3.337 20 0 EGADLP O=C(CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000450498774 310126720 /nfs/dbraw/zinc/12/67/20/310126720.db2.gz IBYOGWLYECWYBG-GOSISDBHSA-N 2 2 328.387 3.337 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)c2cc1C ZINC000453041864 310253956 /nfs/dbraw/zinc/25/39/56/310253956.db2.gz RQWLBCHXRYGHSY-OPYAIIAOSA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C4CC4)[C@@H]3C3CC3)c2cc1C ZINC000453041864 310253957 /nfs/dbraw/zinc/25/39/57/310253957.db2.gz RQWLBCHXRYGHSY-OPYAIIAOSA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C4CC4)[C@H]3C3CC3)c2cc1C ZINC000453041861 310254080 /nfs/dbraw/zinc/25/40/80/310254080.db2.gz RQWLBCHXRYGHSY-DBXWQHBBSA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C4CC4)[C@H]3C3CC3)c2cc1C ZINC000453041861 310254081 /nfs/dbraw/zinc/25/40/81/310254081.db2.gz RQWLBCHXRYGHSY-DBXWQHBBSA-N 2 2 339.483 3.134 20 0 EGADLP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000453069439 310255819 /nfs/dbraw/zinc/25/58/19/310255819.db2.gz ZOEZNJBHMCAOGI-SFHVURJKSA-N 2 2 338.499 3.442 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000453095614 310257530 /nfs/dbraw/zinc/25/75/30/310257530.db2.gz WMMOPEZVIWFZBN-LJQANCHMSA-N 3 2 344.528 3.396 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453118980 310259294 /nfs/dbraw/zinc/25/92/94/310259294.db2.gz VPFJIMJLUHRHJX-KRWDZBQOSA-N 2 2 333.520 3.272 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264802 310267917 /nfs/dbraw/zinc/26/79/17/310267917.db2.gz MYSZJIXDGITPCR-AEFFLSMTSA-N 2 2 334.504 3.361 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264802 310267918 /nfs/dbraw/zinc/26/79/18/310267918.db2.gz MYSZJIXDGITPCR-AEFFLSMTSA-N 2 2 334.504 3.361 20 0 EGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453270194 310268271 /nfs/dbraw/zinc/26/82/71/310268271.db2.gz SBTIPHRLZPQYLU-HKUYNNGSSA-N 2 2 336.545 3.240 20 0 EGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453270194 310268272 /nfs/dbraw/zinc/26/82/72/310268272.db2.gz SBTIPHRLZPQYLU-HKUYNNGSSA-N 2 2 336.545 3.240 20 0 EGADLP COC(C)(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453323944 310271095 /nfs/dbraw/zinc/27/10/95/310271095.db2.gz KEUYBMKSYQYXRV-OAHLLOKOSA-N 2 2 347.503 3.013 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c[nH+]1 ZINC000455198724 310349920 /nfs/dbraw/zinc/34/99/20/310349920.db2.gz UNACYOITAPZTSX-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)c2[nH+]ccn21 ZINC000456363974 310401519 /nfs/dbraw/zinc/40/15/19/310401519.db2.gz FQSRVYYXEFNFAQ-WFASDCNBSA-N 2 2 338.411 3.127 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414672 311064481 /nfs/dbraw/zinc/06/44/81/311064481.db2.gz HKGOVGRXDHKZER-GOEBONIOSA-N 2 2 328.566 3.386 20 0 EGADLP Brc1ccc2[nH+]ccc(N[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000489878032 311123741 /nfs/dbraw/zinc/12/37/41/311123741.db2.gz AUAIGOKYFVLEBG-LBPRGKRZSA-N 2 2 343.228 3.043 20 0 EGADLP O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492279632 311233212 /nfs/dbraw/zinc/23/32/12/311233212.db2.gz SXEVNGGCNSCFKD-DUXPYHPUSA-N 2 2 329.363 3.401 20 0 EGADLP CN(C(=O)/C=C/C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000492297223 311235268 /nfs/dbraw/zinc/23/52/68/311235268.db2.gz RBLGHWKNVXFOJG-XICOBVEKSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)/C=C/C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000492297223 311235269 /nfs/dbraw/zinc/23/52/69/311235269.db2.gz RBLGHWKNVXFOJG-XICOBVEKSA-N 2 2 347.547 3.138 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492635712 311274233 /nfs/dbraw/zinc/27/42/33/311274233.db2.gz PMIJLUCKNDWFGD-QGZVFWFLSA-N 2 2 333.476 3.312 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC000492865888 311300886 /nfs/dbraw/zinc/30/08/86/311300886.db2.gz VWAFFZFCOUSUNI-YDZSZYSISA-N 2 2 338.455 3.203 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000492915632 311306194 /nfs/dbraw/zinc/30/61/94/311306194.db2.gz WWIJVMUFCXAAAD-JTGQJZMRSA-N 2 2 344.846 3.030 20 0 EGADLP CCC(CC)(CNC(=O)C=Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000493582181 311398314 /nfs/dbraw/zinc/39/83/14/311398314.db2.gz KOQMJVKCKPBGLX-YUQCYMQKSA-N 2 2 340.471 3.449 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000494450838 311479495 /nfs/dbraw/zinc/47/94/95/311479495.db2.gz FSRARCZZCZBIQQ-HNNXBMFYSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)s1 ZINC000494834468 311516076 /nfs/dbraw/zinc/51/60/76/311516076.db2.gz FISGYXPTKQTNAR-NXEZZACHSA-N 2 2 326.263 3.373 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCCCC2CCCCC2)CC1 ZINC000507338263 312068844 /nfs/dbraw/zinc/06/88/44/312068844.db2.gz JHOQYOQHCHLSQW-UHFFFAOYSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCCCC2CCCCC2)CC1 ZINC000507338263 312068847 /nfs/dbraw/zinc/06/88/47/312068847.db2.gz JHOQYOQHCHLSQW-UHFFFAOYSA-N 2 2 337.552 3.268 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880288 312105163 /nfs/dbraw/zinc/10/51/63/312105163.db2.gz UUDHSSLOKXHTCI-KRWDZBQOSA-N 2 2 331.504 3.423 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880288 312105166 /nfs/dbraw/zinc/10/51/66/312105166.db2.gz UUDHSSLOKXHTCI-KRWDZBQOSA-N 2 2 331.504 3.423 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880288 312105167 /nfs/dbraw/zinc/10/51/67/312105167.db2.gz UUDHSSLOKXHTCI-KRWDZBQOSA-N 2 2 331.504 3.423 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880288 312105169 /nfs/dbraw/zinc/10/51/69/312105169.db2.gz UUDHSSLOKXHTCI-KRWDZBQOSA-N 2 2 331.504 3.423 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000509129515 312109580 /nfs/dbraw/zinc/10/95/80/312109580.db2.gz WXJHTZZXOIQEED-QGZVFWFLSA-N 2 2 339.483 3.496 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670363 312146236 /nfs/dbraw/zinc/14/62/36/312146236.db2.gz XDLRPWCFNOORDN-YOEHRIQHSA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670363 312146238 /nfs/dbraw/zinc/14/62/38/312146238.db2.gz XDLRPWCFNOORDN-YOEHRIQHSA-N 2 2 344.421 3.337 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190436 /nfs/dbraw/zinc/19/04/36/312190436.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190437 /nfs/dbraw/zinc/19/04/37/312190437.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190438 /nfs/dbraw/zinc/19/04/38/312190438.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622919 312190439 /nfs/dbraw/zinc/19/04/39/312190439.db2.gz CRCDMQSBSCHXPY-CEMLEFRQSA-N 3 2 341.543 3.361 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1OC ZINC000514909698 312252955 /nfs/dbraw/zinc/25/29/55/312252955.db2.gz FINOQWAGJUGZHD-QAPCUYQASA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000514909698 312252956 /nfs/dbraw/zinc/25/29/56/312252956.db2.gz FINOQWAGJUGZHD-QAPCUYQASA-N 2 2 332.488 3.241 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000515497107 312286133 /nfs/dbraw/zinc/28/61/33/312286133.db2.gz TUAUYSWQOATDHV-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@H]3CCC[C@H]3C3CC3)c12 ZINC000516014810 312305905 /nfs/dbraw/zinc/30/59/05/312305905.db2.gz PTUNWHDTEWDZIR-ZBFHGGJFSA-N 2 2 334.427 3.449 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000516965512 312355299 /nfs/dbraw/zinc/35/52/99/312355299.db2.gz YSENVSRNEPIWAG-OXQOHEQNSA-N 2 2 344.474 3.448 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[NH2+][C@@H]4C)cc3)[nH+]c12 ZINC000521230755 312537990 /nfs/dbraw/zinc/53/79/90/312537990.db2.gz OUWYCKWUIFADKE-PBHICJAKSA-N 2 2 334.423 3.246 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000087790507 454088726 /nfs/dbraw/zinc/08/87/26/454088726.db2.gz GBYHAABKJKOEND-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000087790507 454088729 /nfs/dbraw/zinc/08/87/29/454088729.db2.gz GBYHAABKJKOEND-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527678349 312909018 /nfs/dbraw/zinc/90/90/18/312909018.db2.gz ZVFDKEKUTURULA-JKSUJKDBSA-N 2 2 344.833 3.086 20 0 EGADLP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528431588 313092511 /nfs/dbraw/zinc/09/25/11/313092511.db2.gz WUIPCFJNHDAPHU-IBGZPJMESA-N 2 2 343.446 3.355 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(C(F)(F)F)c1 ZINC000529567715 313357176 /nfs/dbraw/zinc/35/71/76/313357176.db2.gz NYESAGBLDLQJMT-ZDUSSCGKSA-N 2 2 339.361 3.437 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(C(F)(F)F)c1 ZINC000529567715 313357180 /nfs/dbraw/zinc/35/71/80/313357180.db2.gz NYESAGBLDLQJMT-ZDUSSCGKSA-N 2 2 339.361 3.437 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)n1C ZINC000529643358 313377198 /nfs/dbraw/zinc/37/71/98/313377198.db2.gz ZBCHDSKQABAORM-HXUWFJFHSA-N 2 2 326.488 3.071 20 0 EGADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218994 313499955 /nfs/dbraw/zinc/49/99/55/313499955.db2.gz YLRVATBTLMLWDG-HUUCEWRRSA-N 2 2 325.378 3.352 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530225988 313501634 /nfs/dbraw/zinc/50/16/34/313501634.db2.gz YILOWBOQLBSWCA-IUODEOHRSA-N 2 2 328.485 3.449 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000531939499 313733850 /nfs/dbraw/zinc/73/38/50/313733850.db2.gz UVQHFEQJOJCLIE-CQSZACIVSA-N 2 2 326.444 3.244 20 0 EGADLP CC(C)C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000131831017 454290192 /nfs/dbraw/zinc/29/01/92/454290192.db2.gz ZOXDFXFQHFLOLM-KGLIPLIRSA-N 2 2 340.899 3.018 20 0 EGADLP CCOc1ccccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127745 313954613 /nfs/dbraw/zinc/95/46/13/313954613.db2.gz CHKUAMFWBONVFF-UHFFFAOYSA-N 2 2 341.455 3.436 20 0 EGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535758059 314069650 /nfs/dbraw/zinc/06/96/50/314069650.db2.gz KGDLAWMIZANVDT-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535758059 314069651 /nfs/dbraw/zinc/06/96/51/314069651.db2.gz KGDLAWMIZANVDT-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)c[nH+]1 ZINC000535774481 314072586 /nfs/dbraw/zinc/07/25/86/314072586.db2.gz BETQWYNAWOAREO-QGZVFWFLSA-N 2 2 342.443 3.062 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372461 314109627 /nfs/dbraw/zinc/10/96/27/314109627.db2.gz RZOLWNOAARIMRG-CQSZACIVSA-N 2 2 342.418 3.124 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992130 314222197 /nfs/dbraw/zinc/22/21/97/314222197.db2.gz YESFPQDGYHHCIZ-BXUZGUMPSA-N 2 2 329.271 3.445 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992130 314222202 /nfs/dbraw/zinc/22/22/02/314222202.db2.gz YESFPQDGYHHCIZ-BXUZGUMPSA-N 2 2 329.271 3.445 20 0 EGADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000540146826 314365338 /nfs/dbraw/zinc/36/53/38/314365338.db2.gz MBMFOKVJBXWFEP-AGHHOFFYSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000540146826 314365340 /nfs/dbraw/zinc/36/53/40/314365340.db2.gz MBMFOKVJBXWFEP-AGHHOFFYSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@H](N[C@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146826 314365343 /nfs/dbraw/zinc/36/53/43/314365343.db2.gz MBMFOKVJBXWFEP-AGHHOFFYSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@H](N[C@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146826 314365345 /nfs/dbraw/zinc/36/53/45/314365345.db2.gz MBMFOKVJBXWFEP-AGHHOFFYSA-N 2 2 335.495 3.426 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548393100 315003531 /nfs/dbraw/zinc/00/35/31/315003531.db2.gz QUNIAHHVNBSSFB-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548393100 315003533 /nfs/dbraw/zinc/00/35/33/315003533.db2.gz QUNIAHHVNBSSFB-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@H+](CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000548714838 315038075 /nfs/dbraw/zinc/03/80/75/315038075.db2.gz UIKSULZLEYHSIR-UHFFFAOYSA-N 2 2 326.444 3.465 20 0 EGADLP C[N@@H+](CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000548714838 315038078 /nfs/dbraw/zinc/03/80/78/315038078.db2.gz UIKSULZLEYHSIR-UHFFFAOYSA-N 2 2 326.444 3.465 20 0 EGADLP CC[C@H](C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1)[NH+](CC)CC ZINC000550160816 315119255 /nfs/dbraw/zinc/11/92/55/315119255.db2.gz YZPSIJCWCAIKLR-GOSISDBHSA-N 2 2 342.487 3.416 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1OCc1ccncc1)CCCC2 ZINC000551568708 315159465 /nfs/dbraw/zinc/15/94/65/315159465.db2.gz BYSAAGHSGZGGPQ-UHFFFAOYSA-N 2 2 348.450 3.483 20 0 EGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000551598326 315160634 /nfs/dbraw/zinc/16/06/34/315160634.db2.gz YLDWPGNXWIBRJY-IBGZPJMESA-N 2 2 332.875 3.409 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000554724496 315345598 /nfs/dbraw/zinc/34/55/98/315345598.db2.gz FBBHSPCJMRFJDP-CEWLAPEOSA-N 2 2 327.516 3.285 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000555538046 315388870 /nfs/dbraw/zinc/38/88/70/315388870.db2.gz OVMQLUFDJHUHGZ-ZIAGYGMSSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000555538046 315388873 /nfs/dbraw/zinc/38/88/73/315388873.db2.gz OVMQLUFDJHUHGZ-ZIAGYGMSSA-N 2 2 335.289 3.133 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000564221409 316126446 /nfs/dbraw/zinc/12/64/46/316126446.db2.gz CIBOPOSJUVVHER-INIZCTEOSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000564221409 316126450 /nfs/dbraw/zinc/12/64/50/316126450.db2.gz CIBOPOSJUVVHER-INIZCTEOSA-N 2 2 340.471 3.459 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000564458270 316155538 /nfs/dbraw/zinc/15/55/38/316155538.db2.gz QVLIDDHLNGVLGP-INIZCTEOSA-N 2 2 326.444 3.377 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000564612281 316174922 /nfs/dbraw/zinc/17/49/22/316174922.db2.gz WZFKYTMSSZJIDX-FQEVSTJZSA-N 2 2 342.483 3.473 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000564612281 316174925 /nfs/dbraw/zinc/17/49/25/316174925.db2.gz WZFKYTMSSZJIDX-FQEVSTJZSA-N 2 2 342.483 3.473 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]1 ZINC000565880168 316382768 /nfs/dbraw/zinc/38/27/68/316382768.db2.gz LEMHJMMYDDYVLM-BXUZGUMPSA-N 2 2 349.276 3.069 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733447 317099736 /nfs/dbraw/zinc/09/97/36/317099736.db2.gz MPTASFKYCNHHKY-QAPCUYQASA-N 2 2 349.438 3.291 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733447 317099740 /nfs/dbraw/zinc/09/97/40/317099740.db2.gz MPTASFKYCNHHKY-QAPCUYQASA-N 2 2 349.438 3.291 20 0 EGADLP COc1nc2ccccc2cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000572066166 317285999 /nfs/dbraw/zinc/28/59/99/317285999.db2.gz NILDOGOSXIVHSO-UHFFFAOYSA-N 2 2 327.472 3.455 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703590 317377524 /nfs/dbraw/zinc/37/75/24/317377524.db2.gz SDMWBXWENVJPAR-AWEZNQCLSA-N 2 2 341.846 3.249 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703590 317377529 /nfs/dbraw/zinc/37/75/29/317377529.db2.gz SDMWBXWENVJPAR-AWEZNQCLSA-N 2 2 341.846 3.249 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3nnc4ccccn43)CC23CC3)cc1 ZINC000572720109 317380946 /nfs/dbraw/zinc/38/09/46/317380946.db2.gz DUYOZPAEMBCYRK-GOSISDBHSA-N 2 2 347.466 3.016 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3nnc4ccccn43)CC23CC3)cc1 ZINC000572720109 317380950 /nfs/dbraw/zinc/38/09/50/317380950.db2.gz DUYOZPAEMBCYRK-GOSISDBHSA-N 2 2 347.466 3.016 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000262567372 456043642 /nfs/dbraw/zinc/04/36/42/456043642.db2.gz WXWPCXCMICROAZ-NEPJUHHUSA-N 2 2 344.286 3.381 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264940 /nfs/dbraw/zinc/26/49/40/324264940.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 3 2 341.543 3.315 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264943 /nfs/dbraw/zinc/26/49/43/324264943.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264948 /nfs/dbraw/zinc/26/49/48/324264948.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000385881908 324264952 /nfs/dbraw/zinc/26/49/52/324264952.db2.gz BVKLWVLHIHPCLA-FDFHNCONSA-N 3 2 341.543 3.315 20 0 EGADLP CCc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(C)[nH+]1 ZINC000386167088 324266873 /nfs/dbraw/zinc/26/68/73/324266873.db2.gz RNJVGDDADFUQBJ-OALUTQOASA-N 2 2 336.483 3.306 20 0 EGADLP CCc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(C)[nH+]1 ZINC000386167088 324266876 /nfs/dbraw/zinc/26/68/76/324266876.db2.gz RNJVGDDADFUQBJ-OALUTQOASA-N 2 2 336.483 3.306 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386628477 324269226 /nfs/dbraw/zinc/26/92/26/324269226.db2.gz ZNGXYKJQVMPNSC-OWCLPIDISA-N 2 2 336.480 3.039 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130886 324288259 /nfs/dbraw/zinc/28/82/59/324288259.db2.gz GHPXGJVMDMQSDH-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130886 324288263 /nfs/dbraw/zinc/28/82/63/324288263.db2.gz GHPXGJVMDMQSDH-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP Cc1ccc(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000577485293 324815389 /nfs/dbraw/zinc/81/53/89/324815389.db2.gz RDAYHAUADVYYPX-LJQANCHMSA-N 2 2 337.467 3.155 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000578658447 325000391 /nfs/dbraw/zinc/00/03/91/325000391.db2.gz YBVWPRMYASBCNO-HNNXBMFYSA-N 2 2 336.451 3.151 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000578658447 325000395 /nfs/dbraw/zinc/00/03/95/325000395.db2.gz YBVWPRMYASBCNO-HNNXBMFYSA-N 2 2 336.451 3.151 20 0 EGADLP CC1([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]CC1 ZINC000579095596 325061224 /nfs/dbraw/zinc/06/12/24/325061224.db2.gz WBLZATWXRJCMOZ-UHFFFAOYSA-N 2 2 349.276 3.071 20 0 EGADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c2O1 ZINC000579127464 325067123 /nfs/dbraw/zinc/06/71/23/325067123.db2.gz CHXNXTRVGCHMDH-IBGZPJMESA-N 2 2 344.499 3.087 20 0 EGADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)c2O1 ZINC000579127464 325067126 /nfs/dbraw/zinc/06/71/26/325067126.db2.gz CHXNXTRVGCHMDH-IBGZPJMESA-N 2 2 344.499 3.087 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)c2ccccn21 ZINC000579482530 325116487 /nfs/dbraw/zinc/11/64/87/325116487.db2.gz WMRIHYDMTFZTTM-JKSUJKDBSA-N 2 2 342.487 3.337 20 0 EGADLP C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653886 455219198 /nfs/dbraw/zinc/21/91/98/455219198.db2.gz LEBSHSNODHGPLD-LBPRGKRZSA-N 2 2 349.360 3.475 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441351070 458924406 /nfs/dbraw/zinc/92/44/06/458924406.db2.gz WAKNWLFDJZUDRJ-ZWKOTPCHSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441351070 458924411 /nfs/dbraw/zinc/92/44/11/458924411.db2.gz WAKNWLFDJZUDRJ-ZWKOTPCHSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441351070 458924416 /nfs/dbraw/zinc/92/44/16/458924416.db2.gz WAKNWLFDJZUDRJ-ZWKOTPCHSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441351070 458924423 /nfs/dbraw/zinc/92/44/23/458924423.db2.gz WAKNWLFDJZUDRJ-ZWKOTPCHSA-N 2 2 325.541 3.124 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268891 455266691 /nfs/dbraw/zinc/26/66/91/455266691.db2.gz ABDZFGZTFPQPTM-QUCCMNQESA-N 2 2 338.499 3.025 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268891 455266697 /nfs/dbraw/zinc/26/66/97/455266697.db2.gz ABDZFGZTFPQPTM-QUCCMNQESA-N 2 2 338.499 3.025 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)cc1 ZINC000173370198 455274629 /nfs/dbraw/zinc/27/46/29/455274629.db2.gz PPYMLPTWSGMPAL-LJQANCHMSA-N 2 2 338.455 3.024 20 0 EGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623453620 460557575 /nfs/dbraw/zinc/55/75/75/460557575.db2.gz XHIGOWKZOWNHPF-ZIAGYGMSSA-N 2 2 348.434 3.234 20 0 EGADLP Cc1cccn2cc(CN3CC[N@@H+](Cc4ccccc4)C[C@H]3C)[nH+]c12 ZINC000600724003 460580343 /nfs/dbraw/zinc/58/03/43/460580343.db2.gz HQUUMEXKPZRGOC-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2cc(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)[nH+]c12 ZINC000600724003 460580350 /nfs/dbraw/zinc/58/03/50/460580350.db2.gz HQUUMEXKPZRGOC-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567893 453888545 /nfs/dbraw/zinc/88/85/45/453888545.db2.gz NUQIIHDEPKKCAM-HOTGVXAUSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567893 453888547 /nfs/dbraw/zinc/88/85/47/453888547.db2.gz NUQIIHDEPKKCAM-HOTGVXAUSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567893 453888549 /nfs/dbraw/zinc/88/85/49/453888549.db2.gz NUQIIHDEPKKCAM-HOTGVXAUSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567893 453888551 /nfs/dbraw/zinc/88/85/51/453888551.db2.gz NUQIIHDEPKKCAM-HOTGVXAUSA-N 2 2 335.467 3.125 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081634858 453899395 /nfs/dbraw/zinc/89/93/95/453899395.db2.gz JZEUZMQECFRFGI-VQIMIIECSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081634858 453899398 /nfs/dbraw/zinc/89/93/98/453899398.db2.gz JZEUZMQECFRFGI-VQIMIIECSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081634858 453899400 /nfs/dbraw/zinc/89/94/00/453899400.db2.gz JZEUZMQECFRFGI-VQIMIIECSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081634858 453899402 /nfs/dbraw/zinc/89/94/02/453899402.db2.gz JZEUZMQECFRFGI-VQIMIIECSA-N 2 2 343.515 3.240 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860412 453932611 /nfs/dbraw/zinc/93/26/11/453932611.db2.gz QCMGSIWOJFVDJU-MJGOQNOKSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860412 453932615 /nfs/dbraw/zinc/93/26/15/453932615.db2.gz QCMGSIWOJFVDJU-MJGOQNOKSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860412 453932617 /nfs/dbraw/zinc/93/26/17/453932617.db2.gz QCMGSIWOJFVDJU-MJGOQNOKSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860412 453932618 /nfs/dbraw/zinc/93/26/18/453932618.db2.gz QCMGSIWOJFVDJU-MJGOQNOKSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500612 453936071 /nfs/dbraw/zinc/93/60/71/453936071.db2.gz UYWFQEDEROPPRL-MRXNPFEDSA-N 2 2 337.471 3.171 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076001639 453947472 /nfs/dbraw/zinc/94/74/72/453947472.db2.gz FBFJAFOCCWHSGS-DLBZAZTESA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076001639 453947478 /nfs/dbraw/zinc/94/74/78/453947478.db2.gz FBFJAFOCCWHSGS-DLBZAZTESA-N 2 2 331.504 3.240 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000084673139 454004637 /nfs/dbraw/zinc/00/46/37/454004637.db2.gz HODPQUMGGVUHRJ-IRXDYDNUSA-N 2 2 326.444 3.095 20 0 EGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068415973 454024921 /nfs/dbraw/zinc/02/49/21/454024921.db2.gz JOJFKMOLEZHRAY-UHFFFAOYSA-N 2 2 336.439 3.105 20 0 EGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068415973 454024924 /nfs/dbraw/zinc/02/49/24/454024924.db2.gz JOJFKMOLEZHRAY-UHFFFAOYSA-N 2 2 336.439 3.105 20 0 EGADLP Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)[nH+]c2ccccc12 ZINC000045026578 454133531 /nfs/dbraw/zinc/13/35/31/454133531.db2.gz JCXXROQFFAJFMU-UHFFFAOYSA-N 2 2 334.423 3.387 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000119589831 454205937 /nfs/dbraw/zinc/20/59/37/454205937.db2.gz SRPPEMSQQPEDNJ-INIZCTEOSA-N 2 2 347.484 3.007 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000119589831 454205939 /nfs/dbraw/zinc/20/59/39/454205939.db2.gz SRPPEMSQQPEDNJ-INIZCTEOSA-N 2 2 347.484 3.007 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000130814599 454220412 /nfs/dbraw/zinc/22/04/12/454220412.db2.gz CUYPDCDNGWXBQO-UHFFFAOYSA-N 2 2 328.460 3.276 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000130814599 454220415 /nfs/dbraw/zinc/22/04/15/454220415.db2.gz CUYPDCDNGWXBQO-UHFFFAOYSA-N 2 2 328.460 3.276 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000095955981 454238318 /nfs/dbraw/zinc/23/83/18/454238318.db2.gz BGAACUFYVDDXEW-LBPRGKRZSA-N 2 2 329.429 3.393 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000131397154 454250068 /nfs/dbraw/zinc/25/00/68/454250068.db2.gz PULIBHWCZZYCNS-WCVJEAGWSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000131397154 454250075 /nfs/dbraw/zinc/25/00/75/454250075.db2.gz PULIBHWCZZYCNS-WCVJEAGWSA-N 2 2 337.508 3.037 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C12CCCC2 ZINC000089986159 454254837 /nfs/dbraw/zinc/25/48/37/454254837.db2.gz FDVFXMXYMJHKQQ-PMACEKPBSA-N 2 2 343.515 3.373 20 0 EGADLP Clc1ccc(O[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1Cl ZINC000131716556 454278317 /nfs/dbraw/zinc/27/83/17/454278317.db2.gz MNOUEIPGGURJEF-ZDUSSCGKSA-N 2 2 326.227 3.343 20 0 EGADLP c1ccc(CCOCCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131740307 454281150 /nfs/dbraw/zinc/28/11/50/454281150.db2.gz BNZXABRSHRKPCX-FQEVSTJZSA-N 2 2 326.440 3.184 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000120302762 454284001 /nfs/dbraw/zinc/28/40/01/454284001.db2.gz UXFGZWLPUHGSTF-MRXNPFEDSA-N 2 2 328.416 3.332 20 0 EGADLP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090217866 454294177 /nfs/dbraw/zinc/29/41/77/454294177.db2.gz RMAQCQPRASHYMZ-UYAOXDASSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132119762 454315050 /nfs/dbraw/zinc/31/50/50/454315050.db2.gz HKUIMIKBIJFODI-RXVVDRJESA-N 2 2 338.499 3.384 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132119762 454315055 /nfs/dbraw/zinc/31/50/55/454315055.db2.gz HKUIMIKBIJFODI-RXVVDRJESA-N 2 2 338.499 3.384 20 0 EGADLP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000132429242 454337396 /nfs/dbraw/zinc/33/73/96/454337396.db2.gz ISPVPQNRDVRDTI-INIZCTEOSA-N 2 2 327.447 3.406 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965724 454372340 /nfs/dbraw/zinc/37/23/40/454372340.db2.gz OFHCFSGTMJOIHE-SQNIBIBYSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072965724 454372347 /nfs/dbraw/zinc/37/23/47/454372347.db2.gz OFHCFSGTMJOIHE-SQNIBIBYSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072965724 454372350 /nfs/dbraw/zinc/37/23/50/454372350.db2.gz OFHCFSGTMJOIHE-SQNIBIBYSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072965724 454372353 /nfs/dbraw/zinc/37/23/53/454372353.db2.gz OFHCFSGTMJOIHE-SQNIBIBYSA-N 2 2 335.536 3.020 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121004846 454376003 /nfs/dbraw/zinc/37/60/03/454376003.db2.gz KPGFQPPSZDMZKC-LZQZEXGQSA-N 2 2 325.456 3.282 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000612473600 460636562 /nfs/dbraw/zinc/63/65/62/460636562.db2.gz WAJZDRVFUXPZKQ-UHFFFAOYSA-N 2 2 326.444 3.383 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000098143634 454462600 /nfs/dbraw/zinc/46/26/00/454462600.db2.gz PQHGXXBZAZXJRJ-RBBKRZOGSA-N 2 2 336.479 3.073 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000098143634 454462604 /nfs/dbraw/zinc/46/26/04/454462604.db2.gz PQHGXXBZAZXJRJ-RBBKRZOGSA-N 2 2 336.479 3.073 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824355 454476907 /nfs/dbraw/zinc/47/69/07/454476907.db2.gz JYNLUYCNQPJKTM-CMDGGOBGSA-N 2 2 338.455 3.193 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccccc1F ZINC000091892615 454485615 /nfs/dbraw/zinc/48/56/15/454485615.db2.gz VCNUJCYCVCDWJT-CVEARBPZSA-N 2 2 328.435 3.274 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccccc1F ZINC000091892615 454485620 /nfs/dbraw/zinc/48/56/20/454485620.db2.gz VCNUJCYCVCDWJT-CVEARBPZSA-N 2 2 328.435 3.274 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccccc1F ZINC000091892615 454485624 /nfs/dbraw/zinc/48/56/24/454485624.db2.gz VCNUJCYCVCDWJT-CVEARBPZSA-N 2 2 328.435 3.274 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccccc1F ZINC000091892615 454485628 /nfs/dbraw/zinc/48/56/28/454485628.db2.gz VCNUJCYCVCDWJT-CVEARBPZSA-N 2 2 328.435 3.274 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043202 454507627 /nfs/dbraw/zinc/50/76/27/454507627.db2.gz LXPQTFVJRUZLLH-DYVFJYSZSA-N 2 2 346.425 3.271 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043202 454507636 /nfs/dbraw/zinc/50/76/36/454507636.db2.gz LXPQTFVJRUZLLH-DYVFJYSZSA-N 2 2 346.425 3.271 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043202 454507640 /nfs/dbraw/zinc/50/76/40/454507640.db2.gz LXPQTFVJRUZLLH-DYVFJYSZSA-N 2 2 346.425 3.271 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043202 454507644 /nfs/dbraw/zinc/50/76/44/454507644.db2.gz LXPQTFVJRUZLLH-DYVFJYSZSA-N 2 2 346.425 3.271 20 0 EGADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(Cl)cc1 ZINC000266747250 455447461 /nfs/dbraw/zinc/44/74/61/455447461.db2.gz NEQXPELPFCVIEY-INIZCTEOSA-N 2 2 344.846 3.048 20 0 EGADLP CC[C@]1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCC[NH2+]1 ZINC000134578688 454562764 /nfs/dbraw/zinc/56/27/64/454562764.db2.gz AWVJUZUDOCUIMY-HXUWFJFHSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122856499 454574757 /nfs/dbraw/zinc/57/47/57/454574757.db2.gz WVWKAMLDAWESDG-FUHWJXTLSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122856499 454574760 /nfs/dbraw/zinc/57/47/60/454574760.db2.gz WVWKAMLDAWESDG-FUHWJXTLSA-N 2 2 326.444 3.022 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104359669 454582216 /nfs/dbraw/zinc/58/22/16/454582216.db2.gz VECYHZWBFXRMJU-MRXNPFEDSA-N 2 2 325.294 3.236 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104359669 454582220 /nfs/dbraw/zinc/58/22/20/454582220.db2.gz VECYHZWBFXRMJU-MRXNPFEDSA-N 2 2 325.294 3.236 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000122947058 454585990 /nfs/dbraw/zinc/58/59/90/454585990.db2.gz AQRCPFBFZVSAOA-UHFFFAOYSA-N 2 2 337.471 3.215 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000092587846 454591137 /nfs/dbraw/zinc/59/11/37/454591137.db2.gz KFLQTALPEVMCFQ-NTKDMRAZSA-N 2 2 348.556 3.368 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000092587846 454591143 /nfs/dbraw/zinc/59/11/43/454591143.db2.gz KFLQTALPEVMCFQ-NTKDMRAZSA-N 2 2 348.556 3.368 20 0 EGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(F)cn1 ZINC000092766996 454629127 /nfs/dbraw/zinc/62/91/27/454629127.db2.gz DYHCCVRQLTTYTP-INIZCTEOSA-N 2 2 335.467 3.154 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958628 454657865 /nfs/dbraw/zinc/65/78/65/454657865.db2.gz SKTLPIINGXRHAH-CABCVRRESA-N 2 2 349.438 3.165 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958628 454657868 /nfs/dbraw/zinc/65/78/68/454657868.db2.gz SKTLPIINGXRHAH-CABCVRRESA-N 2 2 349.438 3.165 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000123855312 454682133 /nfs/dbraw/zinc/68/21/33/454682133.db2.gz KRADKNDUWGEYNX-KRWDZBQOSA-N 2 2 342.487 3.172 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000093132799 454685779 /nfs/dbraw/zinc/68/57/79/454685779.db2.gz FQQRDDICGHDCMP-KRWDZBQOSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000093132799 454685786 /nfs/dbraw/zinc/68/57/86/454685786.db2.gz FQQRDDICGHDCMP-KRWDZBQOSA-N 2 2 348.560 3.013 20 0 EGADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106544744 454700525 /nfs/dbraw/zinc/70/05/25/454700525.db2.gz PTLAIELWVFLSBA-YYIAUSFCSA-N 2 2 347.507 3.013 20 0 EGADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106544744 454700529 /nfs/dbraw/zinc/70/05/29/454700529.db2.gz PTLAIELWVFLSBA-YYIAUSFCSA-N 2 2 347.507 3.013 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000124264539 454710775 /nfs/dbraw/zinc/71/07/75/454710775.db2.gz KMGAUBQLDKVFDS-OAHLLOKOSA-N 2 2 331.485 3.011 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)O[C@H](C)C2 ZINC000093683380 454728289 /nfs/dbraw/zinc/72/82/89/454728289.db2.gz HACVIDPSUYUPKS-IAGOWNOFSA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)O[C@H](C)C2 ZINC000093683380 454728293 /nfs/dbraw/zinc/72/82/93/454728293.db2.gz HACVIDPSUYUPKS-IAGOWNOFSA-N 2 2 344.499 3.326 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000093683571 454729334 /nfs/dbraw/zinc/72/93/34/454729334.db2.gz ZWGWTUJOVHNXTN-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000093683571 454729338 /nfs/dbraw/zinc/72/93/38/454729338.db2.gz ZWGWTUJOVHNXTN-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2Br)C1 ZINC000093770243 454734787 /nfs/dbraw/zinc/73/47/87/454734787.db2.gz GXUMALHEBIQLMZ-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2Br)C1 ZINC000093770243 454734794 /nfs/dbraw/zinc/73/47/94/454734794.db2.gz GXUMALHEBIQLMZ-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2Br)C1 ZINC000093770243 454734798 /nfs/dbraw/zinc/73/47/98/454734798.db2.gz GXUMALHEBIQLMZ-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2Br)C1 ZINC000093770243 454734802 /nfs/dbraw/zinc/73/48/02/454734802.db2.gz GXUMALHEBIQLMZ-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866032 454740512 /nfs/dbraw/zinc/74/05/12/454740512.db2.gz NJLWPFZIXBDCPL-SFHVURJKSA-N 2 2 338.386 3.264 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866032 454740514 /nfs/dbraw/zinc/74/05/14/454740514.db2.gz NJLWPFZIXBDCPL-SFHVURJKSA-N 2 2 338.386 3.264 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124617667 454753840 /nfs/dbraw/zinc/75/38/40/454753840.db2.gz DKIUJFBIUSFMBW-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124617667 454753844 /nfs/dbraw/zinc/75/38/44/454753844.db2.gz DKIUJFBIUSFMBW-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124687754 454760600 /nfs/dbraw/zinc/76/06/00/454760600.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124687754 454760605 /nfs/dbraw/zinc/76/06/05/454760605.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124687754 454760608 /nfs/dbraw/zinc/76/06/08/454760608.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124687754 454760610 /nfs/dbraw/zinc/76/06/10/454760610.db2.gz DSUNOAMJWIFKFP-MYTGEXCLSA-N 3 2 329.532 3.215 20 0 EGADLP CCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124851567 454776013 /nfs/dbraw/zinc/77/60/13/454776013.db2.gz IQCVTQRIOYNNIB-RBUKOAKNSA-N 2 2 337.552 3.362 20 0 EGADLP CCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124851567 454776015 /nfs/dbraw/zinc/77/60/15/454776015.db2.gz IQCVTQRIOYNNIB-RBUKOAKNSA-N 2 2 337.552 3.362 20 0 EGADLP CN(C(=O)c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124850459 454776386 /nfs/dbraw/zinc/77/63/86/454776386.db2.gz XMENNROERFNTOI-PMACEKPBSA-N 2 2 343.515 3.096 20 0 EGADLP CN(C(=O)c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124850459 454776391 /nfs/dbraw/zinc/77/63/91/454776391.db2.gz XMENNROERFNTOI-PMACEKPBSA-N 2 2 343.515 3.096 20 0 EGADLP CC(C)CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124861548 454776921 /nfs/dbraw/zinc/77/69/21/454776921.db2.gz YMAXYKRSGRHPCX-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124861548 454776923 /nfs/dbraw/zinc/77/69/23/454776923.db2.gz YMAXYKRSGRHPCX-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[NH+](C)C ZINC000124908698 454781675 /nfs/dbraw/zinc/78/16/75/454781675.db2.gz SFCTXYKTLNPOHT-QGZVFWFLSA-N 2 2 326.444 3.165 20 0 EGADLP CC[C@@H](C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000125130386 454799277 /nfs/dbraw/zinc/79/92/77/454799277.db2.gz WJMJNXZRNLRTCU-KRWDZBQOSA-N 2 2 346.500 3.054 20 0 EGADLP CC[C@@H](C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000125130386 454799283 /nfs/dbraw/zinc/79/92/83/454799283.db2.gz WJMJNXZRNLRTCU-KRWDZBQOSA-N 2 2 346.500 3.054 20 0 EGADLP Clc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000162924319 454809588 /nfs/dbraw/zinc/80/95/88/454809588.db2.gz MDRXAKNHRVPAPY-UHFFFAOYSA-N 2 2 336.786 3.476 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246286748 455465220 /nfs/dbraw/zinc/46/52/20/455465220.db2.gz IDVZUKNSQDLOCJ-FCGDIQPGSA-N 2 2 335.536 3.115 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246286748 455465223 /nfs/dbraw/zinc/46/52/23/455465223.db2.gz IDVZUKNSQDLOCJ-FCGDIQPGSA-N 2 2 335.536 3.115 20 0 EGADLP COC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153975587 454853067 /nfs/dbraw/zinc/85/30/67/454853067.db2.gz CEMDSKLOJHEWJD-MJGOQNOKSA-N 2 2 334.504 3.147 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000149340732 454876018 /nfs/dbraw/zinc/87/60/18/454876018.db2.gz VAZPCEQIXMCBRT-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000149340732 454876019 /nfs/dbraw/zinc/87/60/19/454876019.db2.gz VAZPCEQIXMCBRT-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337676 454880453 /nfs/dbraw/zinc/88/04/53/454880453.db2.gz DXYICPSWXBTLDY-HBFSDRIKSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337676 454880454 /nfs/dbraw/zinc/88/04/54/454880454.db2.gz DXYICPSWXBTLDY-HBFSDRIKSA-N 2 2 340.515 3.334 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cnn(C)c1 ZINC000177968654 454923906 /nfs/dbraw/zinc/92/39/06/454923906.db2.gz MKKZTWINAGPJKF-FQEVSTJZSA-N 2 2 326.488 3.168 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1OC(F)F ZINC000168636124 454926943 /nfs/dbraw/zinc/92/69/43/454926943.db2.gz XVFAFNTUCNKQLI-JSGCOSHPSA-N 2 2 328.403 3.117 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1OC(F)F ZINC000168636124 454926944 /nfs/dbraw/zinc/92/69/44/454926944.db2.gz XVFAFNTUCNKQLI-JSGCOSHPSA-N 2 2 328.403 3.117 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154833555 454934445 /nfs/dbraw/zinc/93/44/45/454934445.db2.gz SKHAGWMQJLOTJT-AWEZNQCLSA-N 2 2 342.430 3.358 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154840190 454935109 /nfs/dbraw/zinc/93/51/09/454935109.db2.gz UQGHMUZJCANXML-ZDUSSCGKSA-N 2 2 326.481 3.309 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000178412776 454953450 /nfs/dbraw/zinc/95/34/50/454953450.db2.gz NTOGDPYLCPFPBE-NSHDSACASA-N 2 2 327.457 3.500 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462521 454955977 /nfs/dbraw/zinc/95/59/77/454955977.db2.gz NWLJETDNLJTXKN-QAPCUYQASA-N 2 2 328.460 3.179 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462521 454955981 /nfs/dbraw/zinc/95/59/81/454955981.db2.gz NWLJETDNLJTXKN-QAPCUYQASA-N 2 2 328.460 3.179 20 0 EGADLP C[N@H+](C[C@H](O)c1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481161 454957192 /nfs/dbraw/zinc/95/71/92/454957192.db2.gz IGQNXXBLQLMGEO-NRFANRHFSA-N 2 2 342.458 3.456 20 0 EGADLP C[N@@H+](C[C@H](O)c1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481161 454957195 /nfs/dbraw/zinc/95/71/95/454957195.db2.gz IGQNXXBLQLMGEO-NRFANRHFSA-N 2 2 342.458 3.456 20 0 EGADLP C[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000178867057 454986272 /nfs/dbraw/zinc/98/62/72/454986272.db2.gz LTYNIBKVMUPSGI-UHFFFAOYSA-N 2 2 347.503 3.108 20 0 EGADLP C[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000178867057 454986274 /nfs/dbraw/zinc/98/62/74/454986274.db2.gz LTYNIBKVMUPSGI-UHFFFAOYSA-N 2 2 347.503 3.108 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000170956282 455005820 /nfs/dbraw/zinc/00/58/20/455005820.db2.gz GMRBXXURHNHZBP-UHFFFAOYSA-N 2 2 338.455 3.173 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156068688 455078189 /nfs/dbraw/zinc/07/81/89/455078189.db2.gz IYRZKLYFMUYWKE-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129168855 455100787 /nfs/dbraw/zinc/10/07/87/455100787.db2.gz HGMLGTJHQQOYTO-LSDHHAIUSA-N 2 2 342.405 3.421 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129168855 455100793 /nfs/dbraw/zinc/10/07/93/455100793.db2.gz HGMLGTJHQQOYTO-LSDHHAIUSA-N 2 2 342.405 3.421 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156342794 455107350 /nfs/dbraw/zinc/10/73/50/455107350.db2.gz QPHYUKNPWJAIGE-BEFAXECRSA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156342794 455107352 /nfs/dbraw/zinc/10/73/52/455107352.db2.gz QPHYUKNPWJAIGE-BEFAXECRSA-N 2 2 339.439 3.124 20 0 EGADLP Cc1ccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000129393743 455109582 /nfs/dbraw/zinc/10/95/82/455109582.db2.gz OBOZCZWLXNQPFV-SFHVURJKSA-N 2 2 334.529 3.050 20 0 EGADLP Cc1ccc(SCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000129393743 455109586 /nfs/dbraw/zinc/10/95/86/455109586.db2.gz OBOZCZWLXNQPFV-SFHVURJKSA-N 2 2 334.529 3.050 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1nc2ccccc2n1C ZINC000180027894 455118737 /nfs/dbraw/zinc/11/87/37/455118737.db2.gz TUBZATRRGTZRPB-MRXNPFEDSA-N 2 2 349.482 3.284 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000157478617 455198632 /nfs/dbraw/zinc/19/86/32/455198632.db2.gz PZEBLXVHTOPSOX-LJQANCHMSA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000157478617 455198634 /nfs/dbraw/zinc/19/86/34/455198634.db2.gz PZEBLXVHTOPSOX-LJQANCHMSA-N 2 2 331.504 3.060 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000157537550 455204976 /nfs/dbraw/zinc/20/49/76/455204976.db2.gz YFBNIQZTEGQAPW-FXAWDEMLSA-N 2 2 326.488 3.088 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000157537550 455204977 /nfs/dbraw/zinc/20/49/77/455204977.db2.gz YFBNIQZTEGQAPW-FXAWDEMLSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061725 455282237 /nfs/dbraw/zinc/28/22/37/455282237.db2.gz YATXUJAQYRGXEL-JKSUJKDBSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061725 455282240 /nfs/dbraw/zinc/28/22/40/455282240.db2.gz YATXUJAQYRGXEL-JKSUJKDBSA-N 2 2 346.500 3.019 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000181076719 455284086 /nfs/dbraw/zinc/28/40/86/455284086.db2.gz FGVKXGBCDAZIJH-UHFFFAOYSA-N 2 2 342.487 3.032 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000181076719 455284088 /nfs/dbraw/zinc/28/40/88/455284088.db2.gz FGVKXGBCDAZIJH-UHFFFAOYSA-N 2 2 342.487 3.032 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000181078030 455284411 /nfs/dbraw/zinc/28/44/11/455284411.db2.gz OBDGPJGUZUBWLD-UHFFFAOYSA-N 2 2 332.354 3.338 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000181078030 455284414 /nfs/dbraw/zinc/28/44/14/455284414.db2.gz OBDGPJGUZUBWLD-UHFFFAOYSA-N 2 2 332.354 3.338 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245444568 455301261 /nfs/dbraw/zinc/30/12/61/455301261.db2.gz JTIUEYTVSOBCBT-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245444568 455301263 /nfs/dbraw/zinc/30/12/63/455301263.db2.gz JTIUEYTVSOBCBT-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489577 455307124 /nfs/dbraw/zinc/30/71/24/455307124.db2.gz KDXDQRYRMCDUOG-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489577 455307128 /nfs/dbraw/zinc/30/71/28/455307128.db2.gz KDXDQRYRMCDUOG-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489577 455307132 /nfs/dbraw/zinc/30/71/32/455307132.db2.gz KDXDQRYRMCDUOG-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489577 455307137 /nfs/dbraw/zinc/30/71/37/455307137.db2.gz KDXDQRYRMCDUOG-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3cccc(O)c3)c2cc1C ZINC000181515900 455347993 /nfs/dbraw/zinc/34/79/93/455347993.db2.gz PJUUHQWYWVIEHO-MAUKXSAKSA-N 2 2 339.439 3.070 20 0 EGADLP CC[C@@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCC[NH2+]1 ZINC000184149541 455357239 /nfs/dbraw/zinc/35/72/39/455357239.db2.gz KGYVYFVPYIKTQT-IBGZPJMESA-N 2 2 326.444 3.233 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000246115449 455429370 /nfs/dbraw/zinc/42/93/70/455429370.db2.gz QDBRZUNNRKRGCC-QEJZJMRPSA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000246115449 455429376 /nfs/dbraw/zinc/42/93/76/455429376.db2.gz QDBRZUNNRKRGCC-QEJZJMRPSA-N 2 2 331.416 3.215 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000182172552 455452781 /nfs/dbraw/zinc/45/27/81/455452781.db2.gz VRWJUDTZZKAKOG-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000182172552 455452782 /nfs/dbraw/zinc/45/27/82/455452782.db2.gz VRWJUDTZZKAKOG-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246270119 455461042 /nfs/dbraw/zinc/46/10/42/455461042.db2.gz ATYORBOREPPYPM-QRVBRYPASA-N 2 2 349.563 3.410 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246270119 455461049 /nfs/dbraw/zinc/46/10/49/455461049.db2.gz ATYORBOREPPYPM-QRVBRYPASA-N 2 2 349.563 3.410 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246270119 455461054 /nfs/dbraw/zinc/46/10/54/455461054.db2.gz ATYORBOREPPYPM-QRVBRYPASA-N 2 2 349.563 3.410 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246270119 455461056 /nfs/dbraw/zinc/46/10/56/455461056.db2.gz ATYORBOREPPYPM-QRVBRYPASA-N 2 2 349.563 3.410 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277696 455462733 /nfs/dbraw/zinc/46/27/33/455462733.db2.gz WNCHKXMKBRPBBK-SJORKVTESA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277696 455462739 /nfs/dbraw/zinc/46/27/39/455462739.db2.gz WNCHKXMKBRPBBK-SJORKVTESA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277696 455462741 /nfs/dbraw/zinc/46/27/41/455462741.db2.gz WNCHKXMKBRPBBK-SJORKVTESA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277696 455462745 /nfs/dbraw/zinc/46/27/45/455462745.db2.gz WNCHKXMKBRPBBK-SJORKVTESA-N 2 2 331.504 3.240 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887296 455468444 /nfs/dbraw/zinc/46/84/44/455468444.db2.gz BVHXPMULHMASLD-KBPBESRZSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887296 455468449 /nfs/dbraw/zinc/46/84/49/455468449.db2.gz BVHXPMULHMASLD-KBPBESRZSA-N 2 2 330.407 3.064 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000246320560 455470824 /nfs/dbraw/zinc/47/08/24/455470824.db2.gz GWFXGEALBHTDEF-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000246320560 455470827 /nfs/dbraw/zinc/47/08/27/455470827.db2.gz GWFXGEALBHTDEF-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](O)Cc1ccccc1 ZINC000246335381 455473478 /nfs/dbraw/zinc/47/34/78/455473478.db2.gz GLWISBGDMKYHLL-RPHTVSPISA-N 2 2 338.495 3.089 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](O)Cc1ccccc1 ZINC000246335381 455473479 /nfs/dbraw/zinc/47/34/79/455473479.db2.gz GLWISBGDMKYHLL-RPHTVSPISA-N 2 2 338.495 3.089 20 0 EGADLP COC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000182310498 455485856 /nfs/dbraw/zinc/48/58/56/455485856.db2.gz BMLIATFUTVTHPG-KRWDZBQOSA-N 2 2 331.366 3.132 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000185228336 455525788 /nfs/dbraw/zinc/52/57/88/455525788.db2.gz URAPTYJQYGJDAC-MRXNPFEDSA-N 2 2 330.863 3.170 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246891952 455533840 /nfs/dbraw/zinc/53/38/40/455533840.db2.gz BOPHPUUDQAWIRA-KXBFYZLASA-N 2 2 338.442 3.460 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246891952 455533841 /nfs/dbraw/zinc/53/38/41/455533841.db2.gz BOPHPUUDQAWIRA-KXBFYZLASA-N 2 2 338.442 3.460 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247026989 455546858 /nfs/dbraw/zinc/54/68/58/455546858.db2.gz YDIPTMCRSMYJIF-IMFGXOCKSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247026989 455546867 /nfs/dbraw/zinc/54/68/67/455546867.db2.gz YDIPTMCRSMYJIF-IMFGXOCKSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247026989 455546872 /nfs/dbraw/zinc/54/68/72/455546872.db2.gz YDIPTMCRSMYJIF-IMFGXOCKSA-N 2 2 347.547 3.020 20 0 EGADLP FC(F)(F)c1ccc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)cc1 ZINC000182618373 455553991 /nfs/dbraw/zinc/55/39/91/455553991.db2.gz FVVQSJMHTVEGCS-MRXNPFEDSA-N 2 2 339.361 3.366 20 0 EGADLP FC(F)(F)c1ccc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)cc1 ZINC000182618373 455553995 /nfs/dbraw/zinc/55/39/95/455553995.db2.gz FVVQSJMHTVEGCS-MRXNPFEDSA-N 2 2 339.361 3.366 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247207837 455573081 /nfs/dbraw/zinc/57/30/81/455573081.db2.gz WUJFNBHVTFPXEF-SLHNCBLASA-N 2 2 349.563 3.266 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247207837 455573087 /nfs/dbraw/zinc/57/30/87/455573087.db2.gz WUJFNBHVTFPXEF-SLHNCBLASA-N 2 2 349.563 3.266 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000247293650 455584146 /nfs/dbraw/zinc/58/41/46/455584146.db2.gz ZHOSPGCWEGWTHL-YZVOILCLSA-N 2 2 341.455 3.298 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000247293650 455584150 /nfs/dbraw/zinc/58/41/50/455584150.db2.gz ZHOSPGCWEGWTHL-YZVOILCLSA-N 2 2 341.455 3.298 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccco1 ZINC000192290110 455588199 /nfs/dbraw/zinc/58/81/99/455588199.db2.gz KNPGMTWZONMZSU-HNNXBMFYSA-N 2 2 329.448 3.165 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355265 455595310 /nfs/dbraw/zinc/59/53/10/455595310.db2.gz FZMCZIQTIICNNR-FQEVSTJZSA-N 2 2 328.431 3.206 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355265 455595314 /nfs/dbraw/zinc/59/53/14/455595314.db2.gz FZMCZIQTIICNNR-FQEVSTJZSA-N 2 2 328.431 3.206 20 0 EGADLP c1c[nH]c([C@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000283901563 455608731 /nfs/dbraw/zinc/60/87/31/455608731.db2.gz BIKGJWFLUYUKKB-TZIWHRDSSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000283901563 455608734 /nfs/dbraw/zinc/60/87/34/455608734.db2.gz BIKGJWFLUYUKKB-TZIWHRDSSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283901563 455608738 /nfs/dbraw/zinc/60/87/38/455608738.db2.gz BIKGJWFLUYUKKB-TZIWHRDSSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283901563 455608743 /nfs/dbraw/zinc/60/87/43/455608743.db2.gz BIKGJWFLUYUKKB-TZIWHRDSSA-N 2 2 339.483 3.443 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]4CCC[C@H]43)c2cc1C ZINC000247494584 455612094 /nfs/dbraw/zinc/61/20/94/455612094.db2.gz LEYNFPQPZCLNSF-YQVWRLOYSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]4CCC[C@H]43)c2cc1C ZINC000247494584 455612098 /nfs/dbraw/zinc/61/20/98/455612098.db2.gz LEYNFPQPZCLNSF-YQVWRLOYSA-N 2 2 327.472 3.279 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000271373071 455614090 /nfs/dbraw/zinc/61/40/90/455614090.db2.gz GILYTTXZFBGGNX-UHFFFAOYSA-N 2 2 340.471 3.186 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247684347 455637470 /nfs/dbraw/zinc/63/74/70/455637470.db2.gz USUOIWJSEZLUGQ-QUCCMNQESA-N 2 2 345.531 3.087 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247684347 455637481 /nfs/dbraw/zinc/63/74/81/455637481.db2.gz USUOIWJSEZLUGQ-QUCCMNQESA-N 2 2 345.531 3.087 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271459455 455644781 /nfs/dbraw/zinc/64/47/81/455644781.db2.gz HFYQMEIZOAEFRO-HSTIPLNKSA-N 2 2 328.859 3.485 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271459455 455644786 /nfs/dbraw/zinc/64/47/86/455644786.db2.gz HFYQMEIZOAEFRO-HSTIPLNKSA-N 2 2 328.859 3.485 20 0 EGADLP CCOCC[C@H](O)C[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000277789731 455667444 /nfs/dbraw/zinc/66/74/44/455667444.db2.gz SMUGVDCYDJNDIV-KRWDZBQOSA-N 2 2 345.487 3.023 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248174486 455693719 /nfs/dbraw/zinc/69/37/19/455693719.db2.gz VJWDIERLHUGJEG-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248174486 455693724 /nfs/dbraw/zinc/69/37/24/455693724.db2.gz VJWDIERLHUGJEG-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248174486 455693728 /nfs/dbraw/zinc/69/37/28/455693728.db2.gz VJWDIERLHUGJEG-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000248174486 455693733 /nfs/dbraw/zinc/69/37/33/455693733.db2.gz VJWDIERLHUGJEG-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000268873603 455717577 /nfs/dbraw/zinc/71/75/77/455717577.db2.gz GOGRUIKKRRLBMH-GOEBONIOSA-N 2 2 339.936 3.102 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000268873603 455717582 /nfs/dbraw/zinc/71/75/82/455717582.db2.gz GOGRUIKKRRLBMH-GOEBONIOSA-N 2 2 339.936 3.102 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923256 455732295 /nfs/dbraw/zinc/73/22/95/455732295.db2.gz PIBDHVBSJNVWMM-CRAIPNDOSA-N 2 2 329.513 3.312 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923256 455732300 /nfs/dbraw/zinc/73/23/00/455732300.db2.gz PIBDHVBSJNVWMM-CRAIPNDOSA-N 2 2 329.513 3.312 20 0 EGADLP C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186320657 455742602 /nfs/dbraw/zinc/74/26/02/455742602.db2.gz OCXBXWGLQIHXIS-WMLDXEAASA-N 2 2 343.437 3.294 20 0 EGADLP C[C@H](CC[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000249046997 455742650 /nfs/dbraw/zinc/74/26/50/455742650.db2.gz WIMWUEDURYSITL-STZQEDGTSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](CC[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000249046997 455742657 /nfs/dbraw/zinc/74/26/57/455742657.db2.gz WIMWUEDURYSITL-STZQEDGTSA-N 2 2 338.495 3.405 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000271811979 455769704 /nfs/dbraw/zinc/76/97/04/455769704.db2.gz NJGVOAYXIDVDKT-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1ccc(OC)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000271811979 455769707 /nfs/dbraw/zinc/76/97/07/455769707.db2.gz NJGVOAYXIDVDKT-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000186457484 455772097 /nfs/dbraw/zinc/77/20/97/455772097.db2.gz MDVLXDNIKWYJRO-HNAYVOBHSA-N 2 2 326.440 3.254 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000186457445 455772274 /nfs/dbraw/zinc/77/22/74/455772274.db2.gz MDVLXDNIKWYJRO-KXBFYZLASA-N 2 2 326.440 3.254 20 0 EGADLP CS[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269056113 455777247 /nfs/dbraw/zinc/77/72/47/455777247.db2.gz ZBTPDSFSXYPGLG-GUYCJALGSA-N 2 2 342.936 3.006 20 0 EGADLP Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000193848532 455783079 /nfs/dbraw/zinc/78/30/79/455783079.db2.gz GQLLCHLPNAATLW-SFHVURJKSA-N 2 2 338.455 3.342 20 0 EGADLP Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000193848532 455783083 /nfs/dbraw/zinc/78/30/83/455783083.db2.gz GQLLCHLPNAATLW-SFHVURJKSA-N 2 2 338.455 3.342 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673140 455827456 /nfs/dbraw/zinc/82/74/56/455827456.db2.gz GQQPJSBGTVHCAZ-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673140 455827458 /nfs/dbraw/zinc/82/74/58/455827458.db2.gz GQQPJSBGTVHCAZ-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)nc1 ZINC000272034746 455827585 /nfs/dbraw/zinc/82/75/85/455827585.db2.gz XDTISZYCSJGSJK-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)nc1 ZINC000272034746 455827592 /nfs/dbraw/zinc/82/75/92/455827592.db2.gz XDTISZYCSJGSJK-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285592566 455877424 /nfs/dbraw/zinc/87/74/24/455877424.db2.gz PCLYESQVMJEKSO-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285592566 455877427 /nfs/dbraw/zinc/87/74/27/455877427.db2.gz PCLYESQVMJEKSO-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285592566 455877430 /nfs/dbraw/zinc/87/74/30/455877430.db2.gz PCLYESQVMJEKSO-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285592566 455877432 /nfs/dbraw/zinc/87/74/32/455877432.db2.gz PCLYESQVMJEKSO-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104283 455893100 /nfs/dbraw/zinc/89/31/00/455893100.db2.gz BOJNSXZMNSLRDF-OAHLLOKOSA-N 2 2 347.894 3.084 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104283 455893106 /nfs/dbraw/zinc/89/31/06/455893106.db2.gz BOJNSXZMNSLRDF-OAHLLOKOSA-N 2 2 347.894 3.084 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104283 455893110 /nfs/dbraw/zinc/89/31/10/455893110.db2.gz BOJNSXZMNSLRDF-OAHLLOKOSA-N 2 2 347.894 3.084 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104283 455893114 /nfs/dbraw/zinc/89/31/14/455893114.db2.gz BOJNSXZMNSLRDF-OAHLLOKOSA-N 2 2 347.894 3.084 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000187392650 455904349 /nfs/dbraw/zinc/90/43/49/455904349.db2.gz POGDMOIKMWBRJD-IEBWSBKVSA-N 2 2 348.494 3.368 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000187392650 455904351 /nfs/dbraw/zinc/90/43/51/455904351.db2.gz POGDMOIKMWBRJD-IEBWSBKVSA-N 2 2 348.494 3.368 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261639272 455918117 /nfs/dbraw/zinc/91/81/17/455918117.db2.gz GDQSRAIPTDHTDM-CQSZACIVSA-N 2 2 329.307 3.342 20 0 EGADLP C[C@@H](c1ccccn1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285765056 455912323 /nfs/dbraw/zinc/91/23/23/455912323.db2.gz WIKAWPZFXWHUSE-IBGZPJMESA-N 2 2 338.499 3.287 20 0 EGADLP C[C@@H](c1ccccn1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285765056 455912329 /nfs/dbraw/zinc/91/23/29/455912329.db2.gz WIKAWPZFXWHUSE-IBGZPJMESA-N 2 2 338.499 3.287 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261639272 455918116 /nfs/dbraw/zinc/91/81/16/455918116.db2.gz GDQSRAIPTDHTDM-CQSZACIVSA-N 2 2 329.307 3.342 20 0 EGADLP COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1OC(C)C ZINC000261647534 455921210 /nfs/dbraw/zinc/92/12/10/455921210.db2.gz GYEZFFYVJLJTAQ-RBUKOAKNSA-N 2 2 340.467 3.409 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1OC(C)C ZINC000261647534 455921216 /nfs/dbraw/zinc/92/12/16/455921216.db2.gz GYEZFFYVJLJTAQ-RBUKOAKNSA-N 2 2 340.467 3.409 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)s1 ZINC000285815571 455921585 /nfs/dbraw/zinc/92/15/85/455921585.db2.gz WTSGKNYDTGQNNQ-WZYMTQMTSA-N 2 2 349.544 3.045 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)s1 ZINC000285815571 455921592 /nfs/dbraw/zinc/92/15/92/455921592.db2.gz WTSGKNYDTGQNNQ-WZYMTQMTSA-N 2 2 349.544 3.045 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000261660477 455924018 /nfs/dbraw/zinc/92/40/18/455924018.db2.gz FPDGEXWJPSVDFM-SJLPKXTDSA-N 2 2 338.879 3.069 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000261660477 455924022 /nfs/dbraw/zinc/92/40/22/455924022.db2.gz FPDGEXWJPSVDFM-SJLPKXTDSA-N 2 2 338.879 3.069 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261673977 455926358 /nfs/dbraw/zinc/92/63/58/455926358.db2.gz GLMIEZGZNQKTIW-PXAZEXFGSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261673977 455926366 /nfs/dbraw/zinc/92/63/66/455926366.db2.gz GLMIEZGZNQKTIW-PXAZEXFGSA-N 2 2 334.851 3.046 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285864061 455930620 /nfs/dbraw/zinc/93/06/20/455930620.db2.gz ZWHKBBZSJPAKHD-NXEWRWPSSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285864061 455930624 /nfs/dbraw/zinc/93/06/24/455930624.db2.gz ZWHKBBZSJPAKHD-NXEWRWPSSA-N 2 2 343.515 3.201 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OC(F)F ZINC000261850271 455959364 /nfs/dbraw/zinc/95/93/64/455959364.db2.gz ZSWKUMHLBDGDOX-GXTWGEPZSA-N 2 2 328.403 3.388 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OC(F)F ZINC000261850271 455959366 /nfs/dbraw/zinc/95/93/66/455959366.db2.gz ZSWKUMHLBDGDOX-GXTWGEPZSA-N 2 2 328.403 3.388 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261920038 455972071 /nfs/dbraw/zinc/97/20/71/455972071.db2.gz BMQAFACRTSQNCL-VQIMIIECSA-N 2 2 325.456 3.056 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261920038 455972078 /nfs/dbraw/zinc/97/20/78/455972078.db2.gz BMQAFACRTSQNCL-VQIMIIECSA-N 2 2 325.456 3.056 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272503086 455973108 /nfs/dbraw/zinc/97/31/08/455973108.db2.gz DYYOOVKUODARKN-INIZCTEOSA-N 2 2 330.394 3.381 20 0 EGADLP Cc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272517177 455979142 /nfs/dbraw/zinc/97/91/42/455979142.db2.gz HFYNKYCKKMZIDX-MRXNPFEDSA-N 2 2 330.394 3.035 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000262057705 455990733 /nfs/dbraw/zinc/99/07/33/455990733.db2.gz QTDDXIAOKCJKSR-RDTXWAMCSA-N 2 2 342.487 3.093 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000262057705 455990740 /nfs/dbraw/zinc/99/07/40/455990740.db2.gz QTDDXIAOKCJKSR-RDTXWAMCSA-N 2 2 342.487 3.093 20 0 EGADLP [NH3+]Cc1cc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)co1 ZINC000188116269 456000992 /nfs/dbraw/zinc/00/09/92/456000992.db2.gz CVAHHJQEQIDKHQ-UHFFFAOYSA-N 2 2 336.395 3.190 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650002 456026038 /nfs/dbraw/zinc/02/60/38/456026038.db2.gz PRGTXDPAKTVSPN-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650002 456026046 /nfs/dbraw/zinc/02/60/46/456026046.db2.gz PRGTXDPAKTVSPN-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650002 456026051 /nfs/dbraw/zinc/02/60/51/456026051.db2.gz PRGTXDPAKTVSPN-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650002 456026057 /nfs/dbraw/zinc/02/60/57/456026057.db2.gz PRGTXDPAKTVSPN-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[NH2+]1 ZINC000262375108 456029807 /nfs/dbraw/zinc/02/98/07/456029807.db2.gz MWOICDOAEGTFBB-HOCLYGCPSA-N 2 2 338.455 3.213 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680389 456037158 /nfs/dbraw/zinc/03/71/58/456037158.db2.gz VHOFAARJIDVLBM-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680389 456037161 /nfs/dbraw/zinc/03/71/61/456037161.db2.gz VHOFAARJIDVLBM-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680389 456037168 /nfs/dbraw/zinc/03/71/68/456037168.db2.gz VHOFAARJIDVLBM-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680389 456037175 /nfs/dbraw/zinc/03/71/75/456037175.db2.gz VHOFAARJIDVLBM-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000262567372 456043637 /nfs/dbraw/zinc/04/36/37/456043637.db2.gz WXWPCXCMICROAZ-NEPJUHHUSA-N 2 2 344.286 3.381 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722916 456052085 /nfs/dbraw/zinc/05/20/85/456052085.db2.gz FVBXCMVKMRURME-YOEHRIQHSA-N 2 2 327.875 3.012 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722916 456052089 /nfs/dbraw/zinc/05/20/89/456052089.db2.gz FVBXCMVKMRURME-YOEHRIQHSA-N 2 2 327.875 3.012 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC[N@H+](CCCO)C3)ccc2c1 ZINC000297193923 456146968 /nfs/dbraw/zinc/14/69/68/456146968.db2.gz FPCIZNGFPPMMLO-OXJNMPFZSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CCC[N@@H+](CCCO)C3)ccc2c1 ZINC000297193923 456146975 /nfs/dbraw/zinc/14/69/75/456146975.db2.gz FPCIZNGFPPMMLO-OXJNMPFZSA-N 2 2 342.483 3.346 20 0 EGADLP Cc1cn2cc(NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC000333161398 456169197 /nfs/dbraw/zinc/16/91/97/456169197.db2.gz NZHLCSSNOAMQLR-NVXWUHKLSA-N 2 2 341.459 3.029 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000333199872 456177700 /nfs/dbraw/zinc/17/77/00/456177700.db2.gz XKHKOFNRHCQYDF-GOEBONIOSA-N 2 2 345.491 3.031 20 0 EGADLP Cc1nc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000301679556 456184675 /nfs/dbraw/zinc/18/46/75/456184675.db2.gz JBSTZBVKVGACJT-GASCZTMLSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1nc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000301679556 456184677 /nfs/dbraw/zinc/18/46/77/456184677.db2.gz JBSTZBVKVGACJT-GASCZTMLSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951520 456192153 /nfs/dbraw/zinc/19/21/53/456192153.db2.gz WOARDEPRJSMNJK-BBWFWOEESA-N 2 2 343.471 3.443 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951520 456192160 /nfs/dbraw/zinc/19/21/60/456192160.db2.gz WOARDEPRJSMNJK-BBWFWOEESA-N 2 2 343.471 3.443 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000271260083 456195024 /nfs/dbraw/zinc/19/50/24/456195024.db2.gz KMPLMOKCBMFCMU-NVXWUHKLSA-N 2 2 327.428 3.128 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000271260083 456195028 /nfs/dbraw/zinc/19/50/28/456195028.db2.gz KMPLMOKCBMFCMU-NVXWUHKLSA-N 2 2 327.428 3.128 20 0 EGADLP C[C@H](CNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)N1CC[NH+](C)CC1 ZINC000301723553 456197371 /nfs/dbraw/zinc/19/73/71/456197371.db2.gz KYXLRWZJXIABGY-OAHLLOKOSA-N 2 2 347.551 3.119 20 0 EGADLP c1cc(C[NH2+][C@H]2CCC23CCCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC000189085474 456221828 /nfs/dbraw/zinc/22/18/28/456221828.db2.gz NOWUODXHHIZNCY-FQEVSTJZSA-N 2 2 344.499 3.210 20 0 EGADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465023 456226505 /nfs/dbraw/zinc/22/65/05/456226505.db2.gz QMMYYOXJSWPMQV-IUODEOHRSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465023 456226507 /nfs/dbraw/zinc/22/65/07/456226507.db2.gz QMMYYOXJSWPMQV-IUODEOHRSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465023 456226511 /nfs/dbraw/zinc/22/65/11/456226511.db2.gz QMMYYOXJSWPMQV-IUODEOHRSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465023 456226513 /nfs/dbraw/zinc/22/65/13/456226513.db2.gz QMMYYOXJSWPMQV-IUODEOHRSA-N 2 2 326.868 3.216 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]C[C@H]3CCC[N@H+]3C)cc2)cs1 ZINC000237082946 456229219 /nfs/dbraw/zinc/22/92/19/456229219.db2.gz SHPLDXKEUUKNFZ-QGZVFWFLSA-N 2 2 331.485 3.214 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]C[C@H]3CCC[N@@H+]3C)cc2)cs1 ZINC000237082946 456229225 /nfs/dbraw/zinc/22/92/25/456229225.db2.gz SHPLDXKEUUKNFZ-QGZVFWFLSA-N 2 2 331.485 3.214 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000290090336 456237703 /nfs/dbraw/zinc/23/77/03/456237703.db2.gz RFPZJCUKBGIDGP-SFHVURJKSA-N 2 2 341.480 3.260 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000290090336 456237710 /nfs/dbraw/zinc/23/77/10/456237710.db2.gz RFPZJCUKBGIDGP-SFHVURJKSA-N 2 2 341.480 3.260 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787172 456263126 /nfs/dbraw/zinc/26/31/26/456263126.db2.gz FOACYHHOBDXKIJ-WDEJKIRISA-N 3 2 331.548 3.040 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000297655174 456271962 /nfs/dbraw/zinc/27/19/62/456271962.db2.gz JFDSNYDUPRXBCE-HDICACEKSA-N 2 2 349.950 3.373 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000297655174 456271965 /nfs/dbraw/zinc/27/19/65/456271965.db2.gz JFDSNYDUPRXBCE-HDICACEKSA-N 2 2 349.950 3.373 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000290235780 456272123 /nfs/dbraw/zinc/27/21/23/456272123.db2.gz GHFOKRJHSRJRLI-UHFFFAOYSA-N 2 2 341.455 3.065 20 0 EGADLP Cc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000290280574 456279322 /nfs/dbraw/zinc/27/93/22/456279322.db2.gz XCGJVKBENLPYMI-MRXNPFEDSA-N 2 2 342.405 3.305 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000352766793 456288375 /nfs/dbraw/zinc/28/83/75/456288375.db2.gz ZDGXKKSYFYRXCE-OAHLLOKOSA-N 2 2 335.448 3.347 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000334059402 456294360 /nfs/dbraw/zinc/29/43/60/456294360.db2.gz XVTXVQMQXPBYHH-JTOWHCCKSA-N 2 2 344.503 3.213 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000334059402 456294368 /nfs/dbraw/zinc/29/43/68/456294368.db2.gz XVTXVQMQXPBYHH-JTOWHCCKSA-N 2 2 344.503 3.213 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nn1C ZINC000337493057 456356269 /nfs/dbraw/zinc/35/62/69/456356269.db2.gz XGQPIEQWHGWPGN-LAUBAEHRSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)nn1C ZINC000337493057 456356274 /nfs/dbraw/zinc/35/62/74/456356274.db2.gz XGQPIEQWHGWPGN-LAUBAEHRSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000290537021 456357296 /nfs/dbraw/zinc/35/72/96/456357296.db2.gz YNBYYGHZESDTPH-SFHVURJKSA-N 2 2 333.426 3.493 20 0 EGADLP Cc1ccc2[nH+]cc(CN(Cc3ccco3)C3CC[NH+](C)CC3)n2c1 ZINC000290593934 456377222 /nfs/dbraw/zinc/37/72/22/456377222.db2.gz VNMSZWBNJSIJPX-UHFFFAOYSA-N 2 2 338.455 3.332 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1OC ZINC000347852666 456405839 /nfs/dbraw/zinc/40/58/39/456405839.db2.gz IZWJEBJKTWBUNZ-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1OC ZINC000347852666 456405842 /nfs/dbraw/zinc/40/58/42/456405842.db2.gz IZWJEBJKTWBUNZ-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)s1 ZINC000347860045 456411085 /nfs/dbraw/zinc/41/10/85/456411085.db2.gz RLMKRBDKDIYDSY-SFHVURJKSA-N 2 2 345.512 3.077 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)s1 ZINC000347860045 456411093 /nfs/dbraw/zinc/41/10/93/456411093.db2.gz RLMKRBDKDIYDSY-SFHVURJKSA-N 2 2 345.512 3.077 20 0 EGADLP CSC1(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000347867828 456415402 /nfs/dbraw/zinc/41/54/02/456415402.db2.gz CSBXENCNJMLKKV-UHFFFAOYSA-N 2 2 347.572 3.070 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290740909 456418985 /nfs/dbraw/zinc/41/89/85/456418985.db2.gz QBZKPTLGGRZWOS-UHFFFAOYSA-N 2 2 343.475 3.310 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290740909 456418989 /nfs/dbraw/zinc/41/89/89/456418989.db2.gz QBZKPTLGGRZWOS-UHFFFAOYSA-N 2 2 343.475 3.310 20 0 EGADLP CC(C)[NH+](CCN[C@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000343134972 456426481 /nfs/dbraw/zinc/42/64/81/456426481.db2.gz VIWSLBKKOUEISJ-TZIWHRDSSA-N 2 2 347.547 3.157 20 0 EGADLP COc1cccc([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N2CCCC2)c1 ZINC000298542049 456485219 /nfs/dbraw/zinc/48/52/19/456485219.db2.gz TTZSPPHBRPHSOH-NRFANRHFSA-N 2 2 343.515 3.049 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000348034139 456439867 /nfs/dbraw/zinc/43/98/67/456439867.db2.gz BFPMGXYXDOWGPA-LJQANCHMSA-N 2 2 331.504 3.412 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000282195357 456439913 /nfs/dbraw/zinc/43/99/13/456439913.db2.gz NPYVKBJYJXJHBT-HHXXYDBFSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000282195357 456439921 /nfs/dbraw/zinc/43/99/21/456439921.db2.gz NPYVKBJYJXJHBT-HHXXYDBFSA-N 2 2 326.488 3.290 20 0 EGADLP O=C(NCCCCC[NH+]1CCCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000290844320 456445200 /nfs/dbraw/zinc/44/52/00/456445200.db2.gz YXSBGLAUBYNDFJ-UHFFFAOYSA-N 2 2 329.448 3.112 20 0 EGADLP CCOC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000340464189 456475363 /nfs/dbraw/zinc/47/53/63/456475363.db2.gz JJVOPXHICWPUCE-IEBWSBKVSA-N 2 2 331.504 3.231 20 0 EGADLP CCOC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000340464189 456475369 /nfs/dbraw/zinc/47/53/69/456475369.db2.gz JJVOPXHICWPUCE-IEBWSBKVSA-N 2 2 331.504 3.231 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(F)cn1 ZINC000348099303 456478060 /nfs/dbraw/zinc/47/80/60/456478060.db2.gz BEFDADZLLVOUND-HNNXBMFYSA-N 2 2 331.435 3.402 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(F)cn1 ZINC000348099303 456478065 /nfs/dbraw/zinc/47/80/65/456478065.db2.gz BEFDADZLLVOUND-HNNXBMFYSA-N 2 2 331.435 3.402 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000348099681 456479084 /nfs/dbraw/zinc/47/90/84/456479084.db2.gz CKLXAKXKNQRCTN-ZFWWWQNUSA-N 2 2 325.334 3.072 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340473101 456480931 /nfs/dbraw/zinc/48/09/31/456480931.db2.gz HZEOYBIEPNNSSL-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340473101 456480938 /nfs/dbraw/zinc/48/09/38/456480938.db2.gz HZEOYBIEPNNSSL-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNc1nc(C)[nH+]c2c1CCCC2)c1ccco1 ZINC000343250341 456482655 /nfs/dbraw/zinc/48/26/55/456482655.db2.gz MEQOHLOLDWEYAL-DYVFJYSZSA-N 2 2 328.460 3.220 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC000348128429 456503680 /nfs/dbraw/zinc/50/36/80/456503680.db2.gz VMYAVPIOTJQMEH-GOSISDBHSA-N 2 2 343.471 3.211 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC000348128429 456503688 /nfs/dbraw/zinc/50/36/88/456503688.db2.gz VMYAVPIOTJQMEH-GOSISDBHSA-N 2 2 343.471 3.211 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1OC ZINC000348137516 456508709 /nfs/dbraw/zinc/50/87/09/456508709.db2.gz ZXFLYRGRRZOZFI-MRXNPFEDSA-N 2 2 343.471 3.200 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1OC ZINC000348137516 456508713 /nfs/dbraw/zinc/50/87/13/456508713.db2.gz ZXFLYRGRRZOZFI-MRXNPFEDSA-N 2 2 343.471 3.200 20 0 EGADLP CCn1ccnc1[C@H]1OCCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000348172957 456515621 /nfs/dbraw/zinc/51/56/21/456515621.db2.gz HTJWEQBZQQTLPX-MSOLQXFVSA-N 2 2 328.460 3.049 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)s1 ZINC000348231371 456552613 /nfs/dbraw/zinc/55/26/13/456552613.db2.gz NPZVCAZVOSWMQR-OAHLLOKOSA-N 2 2 341.484 3.001 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)s1 ZINC000348231371 456552618 /nfs/dbraw/zinc/55/26/18/456552618.db2.gz NPZVCAZVOSWMQR-OAHLLOKOSA-N 2 2 341.484 3.001 20 0 EGADLP CC1CC[NH+]([C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2cccs2)CC1 ZINC000276778799 456576524 /nfs/dbraw/zinc/57/65/24/456576524.db2.gz ZBGZNWKPAOPGBH-DWTRPJMMSA-N 2 2 344.484 3.074 20 0 EGADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C(F)F)n1 ZINC000291259885 456582971 /nfs/dbraw/zinc/58/29/71/456582971.db2.gz SCYIUQZLXGHLJT-INIZCTEOSA-N 2 2 334.414 3.112 20 0 EGADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C(F)F)n1 ZINC000291259885 456582977 /nfs/dbraw/zinc/58/29/77/456582977.db2.gz SCYIUQZLXGHLJT-INIZCTEOSA-N 2 2 334.414 3.112 20 0 EGADLP C[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000348272190 456587762 /nfs/dbraw/zinc/58/77/62/456587762.db2.gz QOBRPRRFXVWOTJ-SUMWQHHRSA-N 2 2 348.397 3.073 20 0 EGADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000348272190 456587767 /nfs/dbraw/zinc/58/77/67/456587767.db2.gz QOBRPRRFXVWOTJ-SUMWQHHRSA-N 2 2 348.397 3.073 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CCCO1 ZINC000313399146 456599301 /nfs/dbraw/zinc/59/93/01/456599301.db2.gz RJXUZDNSADRFEJ-GFCCVEGCSA-N 2 2 335.300 3.135 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CCCO1 ZINC000313399146 456599309 /nfs/dbraw/zinc/59/93/09/456599309.db2.gz RJXUZDNSADRFEJ-GFCCVEGCSA-N 2 2 335.300 3.135 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000348325879 456624635 /nfs/dbraw/zinc/62/46/35/456624635.db2.gz XOGFJFIGXWCWLU-AEFFLSMTSA-N 2 2 345.535 3.481 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447513 456627202 /nfs/dbraw/zinc/62/72/02/456627202.db2.gz PHKPSHPWCGPOMJ-YJBOKZPZSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447513 456627210 /nfs/dbraw/zinc/62/72/10/456627210.db2.gz PHKPSHPWCGPOMJ-YJBOKZPZSA-N 2 2 339.439 3.395 20 0 EGADLP COC[C@@]1(C[NH2+]CCCc2c[nH+]ccc2C)OCCc2ccccc21 ZINC000291487719 456658601 /nfs/dbraw/zinc/65/86/01/456658601.db2.gz GIADAPVGWJWFHB-OAQYLSRUSA-N 2 2 340.467 3.027 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000324736943 456671761 /nfs/dbraw/zinc/67/17/61/456671761.db2.gz LPYBMAYGTSCNNQ-SFHVURJKSA-N 2 2 326.484 3.375 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000324736943 456671765 /nfs/dbraw/zinc/67/17/65/456671765.db2.gz LPYBMAYGTSCNNQ-SFHVURJKSA-N 2 2 326.484 3.375 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccccc2Br)CC1 ZINC000277112105 456684476 /nfs/dbraw/zinc/68/44/76/456684476.db2.gz HFECFZGSDAULLS-AWEZNQCLSA-N 2 2 341.293 3.244 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccccc2Br)CC1 ZINC000277112105 456684479 /nfs/dbraw/zinc/68/44/79/456684479.db2.gz HFECFZGSDAULLS-AWEZNQCLSA-N 2 2 341.293 3.244 20 0 EGADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338175197 456684797 /nfs/dbraw/zinc/68/47/97/456684797.db2.gz HJBOYJZXHZLWJB-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338175197 456684806 /nfs/dbraw/zinc/68/48/06/456684806.db2.gz HJBOYJZXHZLWJB-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP c1c(CC[NH2+][C@H](Cc2ccccn2)c2cccnc2)[nH+]c2n1CCCC2 ZINC000338213443 456709853 /nfs/dbraw/zinc/70/98/53/456709853.db2.gz YDOOSSXAGBPJLN-HXUWFJFHSA-N 2 2 347.466 3.126 20 0 EGADLP CC(C)CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496153 456715983 /nfs/dbraw/zinc/71/59/83/456715983.db2.gz LECUXBIEWDKPET-RTBURBONSA-N 2 2 349.519 3.289 20 0 EGADLP CC(C)CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496153 456715989 /nfs/dbraw/zinc/71/59/89/456715989.db2.gz LECUXBIEWDKPET-RTBURBONSA-N 2 2 349.519 3.289 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000277237786 456737566 /nfs/dbraw/zinc/73/75/66/456737566.db2.gz PFZYVVKAUKQAFM-KRWDZBQOSA-N 2 2 332.879 3.442 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000277237786 456737574 /nfs/dbraw/zinc/73/75/74/456737574.db2.gz PFZYVVKAUKQAFM-KRWDZBQOSA-N 2 2 332.879 3.442 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000353535736 456739658 /nfs/dbraw/zinc/73/96/58/456739658.db2.gz LEEBFEWLMSDNNG-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000353535736 456739661 /nfs/dbraw/zinc/73/96/61/456739661.db2.gz LEEBFEWLMSDNNG-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274946 456754794 /nfs/dbraw/zinc/75/47/94/456754794.db2.gz RXPCMTPQTKHRCL-CZUORRHYSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274946 456754799 /nfs/dbraw/zinc/75/47/99/456754799.db2.gz RXPCMTPQTKHRCL-CZUORRHYSA-N 2 2 331.287 3.443 20 0 EGADLP CC(C)N(C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCC1 ZINC000353562789 456762958 /nfs/dbraw/zinc/76/29/58/456762958.db2.gz BTWULCGYMAKMPD-UHFFFAOYSA-N 2 2 349.519 3.213 20 0 EGADLP CC(C)N(C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCC1 ZINC000353562789 456762967 /nfs/dbraw/zinc/76/29/67/456762967.db2.gz BTWULCGYMAKMPD-UHFFFAOYSA-N 2 2 349.519 3.213 20 0 EGADLP CC(C)N(C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1)C1CCCC1 ZINC000353562789 456762979 /nfs/dbraw/zinc/76/29/79/456762979.db2.gz BTWULCGYMAKMPD-UHFFFAOYSA-N 2 2 349.519 3.213 20 0 EGADLP CC(C)N(C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC000353562789 456762987 /nfs/dbraw/zinc/76/29/87/456762987.db2.gz BTWULCGYMAKMPD-UHFFFAOYSA-N 2 2 349.519 3.213 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353574028 456773998 /nfs/dbraw/zinc/77/39/98/456773998.db2.gz LVAWNXUDJXGGSC-OAHLLOKOSA-N 2 2 332.879 3.218 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000353574028 456774004 /nfs/dbraw/zinc/77/40/04/456774004.db2.gz LVAWNXUDJXGGSC-OAHLLOKOSA-N 2 2 332.879 3.218 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000283501592 456792895 /nfs/dbraw/zinc/79/28/95/456792895.db2.gz OWWXLLNKFRNWPS-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000283501592 456792900 /nfs/dbraw/zinc/79/29/00/456792900.db2.gz OWWXLLNKFRNWPS-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)nc(C(C)C)[nH+]1 ZINC000301102193 456796054 /nfs/dbraw/zinc/79/60/54/456796054.db2.gz OMGCDQVTECPPLV-HNNXBMFYSA-N 2 2 341.459 3.141 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622390 456810575 /nfs/dbraw/zinc/81/05/75/456810575.db2.gz IPMSIJAKUIQNIH-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622390 456810583 /nfs/dbraw/zinc/81/05/83/456810583.db2.gz IPMSIJAKUIQNIH-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP Cc1nc(N2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)cc[nH+]1 ZINC000353635888 456818838 /nfs/dbraw/zinc/81/88/38/456818838.db2.gz NRAPSRGPIZVXOF-QGZVFWFLSA-N 2 2 328.847 3.248 20 0 EGADLP O[C@@]1(C[NH2+]C/C=C\c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344526226 456835220 /nfs/dbraw/zinc/83/52/20/456835220.db2.gz JHXLREALQSLZMK-ANIGNSTFSA-N 2 2 340.442 3.066 20 0 EGADLP O[C@@]1(C[NH2+]C/C=C\c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344526226 456835223 /nfs/dbraw/zinc/83/52/23/456835223.db2.gz JHXLREALQSLZMK-ANIGNSTFSA-N 2 2 340.442 3.066 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000353671835 456845606 /nfs/dbraw/zinc/84/56/06/456845606.db2.gz OQEPURJUHKHACY-GPJFCIFZSA-N 3 2 338.499 3.231 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000353671835 456845614 /nfs/dbraw/zinc/84/56/14/456845614.db2.gz OQEPURJUHKHACY-GPJFCIFZSA-N 3 2 338.499 3.231 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)n1 ZINC000292070858 456847203 /nfs/dbraw/zinc/84/72/03/456847203.db2.gz DPCMBIAQYDNOHO-KXBFYZLASA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)n1 ZINC000292070858 456847206 /nfs/dbraw/zinc/84/72/06/456847206.db2.gz DPCMBIAQYDNOHO-KXBFYZLASA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000292070858 456847211 /nfs/dbraw/zinc/84/72/11/456847211.db2.gz DPCMBIAQYDNOHO-KXBFYZLASA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292070858 456847213 /nfs/dbraw/zinc/84/72/13/456847213.db2.gz DPCMBIAQYDNOHO-KXBFYZLASA-N 2 2 326.444 3.134 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948876 456869834 /nfs/dbraw/zinc/86/98/34/456869834.db2.gz OMDKIWALLWGRGB-CRAIPNDOSA-N 2 2 341.503 3.189 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948876 456869839 /nfs/dbraw/zinc/86/98/39/456869839.db2.gz OMDKIWALLWGRGB-CRAIPNDOSA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948876 456869843 /nfs/dbraw/zinc/86/98/43/456869843.db2.gz OMDKIWALLWGRGB-CRAIPNDOSA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948876 456869845 /nfs/dbraw/zinc/86/98/45/456869845.db2.gz OMDKIWALLWGRGB-CRAIPNDOSA-N 2 2 341.503 3.189 20 0 EGADLP CCOC(=O)C1CCC([N@H+](CC)Cc2cccc3[nH+]ccn32)CC1 ZINC000338963717 456880033 /nfs/dbraw/zinc/88/00/33/456880033.db2.gz QLGQBGDVBXYKSE-UHFFFAOYSA-N 2 2 329.444 3.278 20 0 EGADLP CCOC(=O)C1CCC([N@@H+](CC)Cc2cccc3[nH+]ccn32)CC1 ZINC000338963717 456880039 /nfs/dbraw/zinc/88/00/39/456880039.db2.gz QLGQBGDVBXYKSE-UHFFFAOYSA-N 2 2 329.444 3.278 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(F)c1Cl ZINC000339044183 456914038 /nfs/dbraw/zinc/91/40/38/456914038.db2.gz LFBMJRGIGDPVLE-FVQBIDKESA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(F)c1Cl ZINC000339044183 456914042 /nfs/dbraw/zinc/91/40/42/456914042.db2.gz LFBMJRGIGDPVLE-FVQBIDKESA-N 2 2 326.843 3.163 20 0 EGADLP C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349290416 456932267 /nfs/dbraw/zinc/93/22/67/456932267.db2.gz XJZFLVWMSBPHOQ-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349290416 456932270 /nfs/dbraw/zinc/93/22/70/456932270.db2.gz XJZFLVWMSBPHOQ-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)Cn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000349352163 456950480 /nfs/dbraw/zinc/95/04/80/456950480.db2.gz QVDAEKZPILIUAP-UHFFFAOYSA-N 2 2 329.492 3.428 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cn1 ZINC000349408291 456964050 /nfs/dbraw/zinc/96/40/50/456964050.db2.gz OXJBYXJDKGSTKY-UHFFFAOYSA-N 2 2 326.282 3.152 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cn1 ZINC000349408291 456964056 /nfs/dbraw/zinc/96/40/56/456964056.db2.gz OXJBYXJDKGSTKY-UHFFFAOYSA-N 2 2 326.282 3.152 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329965164 456968228 /nfs/dbraw/zinc/96/82/28/456968228.db2.gz UYCABLAVYWIXJD-NWDGAFQWSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329965164 456968231 /nfs/dbraw/zinc/96/82/31/456968231.db2.gz UYCABLAVYWIXJD-NWDGAFQWSA-N 2 2 329.429 3.462 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000353940124 456973104 /nfs/dbraw/zinc/97/31/04/456973104.db2.gz ARJKOLISBAYQGE-QPIRBTGLSA-N 2 2 332.488 3.391 20 0 EGADLP CCCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353954624 456978222 /nfs/dbraw/zinc/97/82/22/456978222.db2.gz KDRBGPFBXAUMRX-DHVPZBTDSA-N 2 2 335.536 3.019 20 0 EGADLP CCCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353954624 456978226 /nfs/dbraw/zinc/97/82/26/456978226.db2.gz KDRBGPFBXAUMRX-DHVPZBTDSA-N 2 2 335.536 3.019 20 0 EGADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330087974 456982887 /nfs/dbraw/zinc/98/28/87/456982887.db2.gz UHNZFPZMHDKFMZ-RDJZCZTQSA-N 2 2 330.476 3.118 20 0 EGADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330087974 456982892 /nfs/dbraw/zinc/98/28/92/456982892.db2.gz UHNZFPZMHDKFMZ-RDJZCZTQSA-N 2 2 330.476 3.118 20 0 EGADLP FC(F)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341893090 456989102 /nfs/dbraw/zinc/98/91/02/456989102.db2.gz RJLHYGBXTFXZAD-GOSISDBHSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341893090 456989103 /nfs/dbraw/zinc/98/91/03/456989103.db2.gz RJLHYGBXTFXZAD-GOSISDBHSA-N 2 2 338.442 3.255 20 0 EGADLP CC[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000339259683 457023628 /nfs/dbraw/zinc/02/36/28/457023628.db2.gz PCTYSWSAVFWFNQ-SFHVURJKSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339259683 457023633 /nfs/dbraw/zinc/02/36/33/457023633.db2.gz PCTYSWSAVFWFNQ-SFHVURJKSA-N 2 2 340.471 3.026 20 0 EGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000358952862 457042387 /nfs/dbraw/zinc/04/23/87/457042387.db2.gz ZYCPRKCGRJAVOX-LJQANCHMSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000358952862 457042394 /nfs/dbraw/zinc/04/23/94/457042394.db2.gz ZYCPRKCGRJAVOX-LJQANCHMSA-N 2 2 338.499 3.224 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccn(C)n1 ZINC000349771786 457046941 /nfs/dbraw/zinc/04/69/41/457046941.db2.gz AHWJSRQQYPYDNK-QAPCUYQASA-N 2 2 327.476 3.081 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(C)c1OC ZINC000342023363 457065623 /nfs/dbraw/zinc/06/56/23/457065623.db2.gz LFMVPRCXNGRJGU-UHFFFAOYSA-N 2 2 337.423 3.488 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000354164618 457102953 /nfs/dbraw/zinc/10/29/53/457102953.db2.gz PGXWWDPZUHSONW-GOSISDBHSA-N 2 2 348.487 3.011 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000346692514 457115111 /nfs/dbraw/zinc/11/51/11/457115111.db2.gz ZPEHCULCINRFSW-ZDUSSCGKSA-N 2 2 342.409 3.397 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000346692514 457115119 /nfs/dbraw/zinc/11/51/19/457115119.db2.gz ZPEHCULCINRFSW-ZDUSSCGKSA-N 2 2 342.409 3.397 20 0 EGADLP CCOC(=O)CCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339662309 457200120 /nfs/dbraw/zinc/20/01/20/457200120.db2.gz XWECIFGAGKYWJC-MRXNPFEDSA-N 2 2 329.444 3.152 20 0 EGADLP CCOC(=O)CCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339662309 457200126 /nfs/dbraw/zinc/20/01/26/457200126.db2.gz XWECIFGAGKYWJC-MRXNPFEDSA-N 2 2 329.444 3.152 20 0 EGADLP Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000356912518 457215331 /nfs/dbraw/zinc/21/53/31/457215331.db2.gz GDYNMFRJGXKKJP-OAHLLOKOSA-N 2 2 349.272 3.051 20 0 EGADLP Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000356912518 457215337 /nfs/dbraw/zinc/21/53/37/457215337.db2.gz GDYNMFRJGXKKJP-OAHLLOKOSA-N 2 2 349.272 3.051 20 0 EGADLP Cc1nn(C)cc1C[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000342293471 457217678 /nfs/dbraw/zinc/21/76/78/457217678.db2.gz GPBRDMYAVSMFKN-FQEVSTJZSA-N 2 2 328.504 3.320 20 0 EGADLP COc1cc(F)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000360058162 457230848 /nfs/dbraw/zinc/23/08/48/457230848.db2.gz WNYDFZDYOMAXMN-CYBMUJFWSA-N 2 2 347.434 3.269 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347117627 457238298 /nfs/dbraw/zinc/23/82/98/457238298.db2.gz WVJMNRLPDYXCRC-UHFFFAOYSA-N 2 2 326.488 3.040 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347117627 457238305 /nfs/dbraw/zinc/23/83/05/457238305.db2.gz WVJMNRLPDYXCRC-UHFFFAOYSA-N 2 2 326.488 3.040 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CCSCC1 ZINC000354547334 457281793 /nfs/dbraw/zinc/28/17/93/457281793.db2.gz KWDVRIFKTXBUHL-YOEHRIQHSA-N 2 2 334.533 3.166 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038384 457290819 /nfs/dbraw/zinc/29/08/19/457290819.db2.gz MIVNXSASXPHKQE-FGTMMUONSA-N 2 2 331.504 3.281 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038384 457290823 /nfs/dbraw/zinc/29/08/23/457290823.db2.gz MIVNXSASXPHKQE-FGTMMUONSA-N 2 2 331.504 3.281 20 0 EGADLP CC[NH+](CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038384 457290830 /nfs/dbraw/zinc/29/08/30/457290830.db2.gz MIVNXSASXPHKQE-FGTMMUONSA-N 2 2 331.504 3.281 20 0 EGADLP CC[NH+](CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038384 457290835 /nfs/dbraw/zinc/29/08/35/457290835.db2.gz MIVNXSASXPHKQE-FGTMMUONSA-N 2 2 331.504 3.281 20 0 EGADLP Cc1cc(NC(=O)NC2CCC([NH3+])CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000332058500 457296542 /nfs/dbraw/zinc/29/65/42/457296542.db2.gz OOZMUAXRZRQPDO-QQFBHYJXSA-N 2 2 345.491 3.160 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000332074461 457299111 /nfs/dbraw/zinc/29/91/11/457299111.db2.gz XQVAKUHDQFUAPM-ARFHVFGLSA-N 2 2 345.491 3.160 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832212 457299262 /nfs/dbraw/zinc/29/92/62/457299262.db2.gz VCFLEWMCDYHJJP-FQEVSTJZSA-N 2 2 338.499 3.095 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832212 457299270 /nfs/dbraw/zinc/29/92/70/457299270.db2.gz VCFLEWMCDYHJJP-FQEVSTJZSA-N 2 2 338.499 3.095 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832212 457299278 /nfs/dbraw/zinc/29/92/78/457299278.db2.gz VCFLEWMCDYHJJP-FQEVSTJZSA-N 2 2 338.499 3.095 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832212 457299284 /nfs/dbraw/zinc/29/92/84/457299284.db2.gz VCFLEWMCDYHJJP-FQEVSTJZSA-N 2 2 338.499 3.095 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363354512 457302441 /nfs/dbraw/zinc/30/24/41/457302441.db2.gz BNINHEDIYHSIHV-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363354512 457302442 /nfs/dbraw/zinc/30/24/42/457302442.db2.gz BNINHEDIYHSIHV-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)on1 ZINC000363354512 457302443 /nfs/dbraw/zinc/30/24/43/457302443.db2.gz BNINHEDIYHSIHV-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)on1 ZINC000363354512 457302446 /nfs/dbraw/zinc/30/24/46/457302446.db2.gz BNINHEDIYHSIHV-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085344 457313767 /nfs/dbraw/zinc/31/37/67/457313767.db2.gz SKXUCJVJLRMSKI-DZGCQCFKSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085344 457313775 /nfs/dbraw/zinc/31/37/75/457313775.db2.gz SKXUCJVJLRMSKI-DZGCQCFKSA-N 2 2 346.272 3.039 20 0 EGADLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000354708290 457313933 /nfs/dbraw/zinc/31/39/33/457313933.db2.gz DSWHOIAITBWZAP-QGZVFWFLSA-N 3 2 338.499 3.148 20 0 EGADLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000354708290 457313938 /nfs/dbraw/zinc/31/39/38/457313938.db2.gz DSWHOIAITBWZAP-QGZVFWFLSA-N 3 2 338.499 3.148 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352016825 457332020 /nfs/dbraw/zinc/33/20/20/457332020.db2.gz ZYWPYQFAFKYDLQ-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352016825 457332028 /nfs/dbraw/zinc/33/20/28/457332028.db2.gz ZYWPYQFAFKYDLQ-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000352305962 457354814 /nfs/dbraw/zinc/35/48/14/457354814.db2.gz VGZDJBXKNLPYRF-MHTWAQMVSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000352305962 457354819 /nfs/dbraw/zinc/35/48/19/457354819.db2.gz VGZDJBXKNLPYRF-MHTWAQMVSA-N 2 2 340.511 3.371 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433902 457364871 /nfs/dbraw/zinc/36/48/71/457364871.db2.gz YZUSOKSCAYQLDR-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433902 457364876 /nfs/dbraw/zinc/36/48/76/457364876.db2.gz YZUSOKSCAYQLDR-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433902 457364879 /nfs/dbraw/zinc/36/48/79/457364879.db2.gz YZUSOKSCAYQLDR-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433902 457364883 /nfs/dbraw/zinc/36/48/83/457364883.db2.gz YZUSOKSCAYQLDR-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP CN(C)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000342576983 457375480 /nfs/dbraw/zinc/37/54/80/457375480.db2.gz VZGJDADKIFMBQA-GOSISDBHSA-N 2 2 338.455 3.141 20 0 EGADLP CN(C)c1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000342576983 457375486 /nfs/dbraw/zinc/37/54/86/457375486.db2.gz VZGJDADKIFMBQA-GOSISDBHSA-N 2 2 338.455 3.141 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000352496664 457414637 /nfs/dbraw/zinc/41/46/37/457414637.db2.gz YCQACIVMJDXWIT-ZWOKBUDYSA-N 2 2 339.483 3.274 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000352496664 457414640 /nfs/dbraw/zinc/41/46/40/457414640.db2.gz YCQACIVMJDXWIT-ZWOKBUDYSA-N 2 2 339.483 3.274 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC000378956736 457416308 /nfs/dbraw/zinc/41/63/08/457416308.db2.gz UCMPYGSODKQSIP-HZPDHXFCSA-N 2 2 332.488 3.373 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC000378956736 457416313 /nfs/dbraw/zinc/41/63/13/457416313.db2.gz UCMPYGSODKQSIP-HZPDHXFCSA-N 2 2 332.488 3.373 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@@H+](C)C[C@H](C)O)CC3)cc2c(C)c1 ZINC000360897743 457418812 /nfs/dbraw/zinc/41/88/12/457418812.db2.gz NZXUFPAJKZZQCQ-INIZCTEOSA-N 2 2 329.488 3.062 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@H+](C)C[C@H](C)O)CC3)cc2c(C)c1 ZINC000360897743 457418819 /nfs/dbraw/zinc/41/88/19/457418819.db2.gz NZXUFPAJKZZQCQ-INIZCTEOSA-N 2 2 329.488 3.062 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cnc4ccccc4n3)CC2)cc1 ZINC000384054767 457425102 /nfs/dbraw/zinc/42/51/02/457425102.db2.gz AGLSMSZTMQJAJT-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000347494750 457465380 /nfs/dbraw/zinc/46/53/80/457465380.db2.gz XKTWACWSXQIHHX-KRWDZBQOSA-N 2 2 341.455 3.365 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000347494750 457465381 /nfs/dbraw/zinc/46/53/81/457465381.db2.gz XKTWACWSXQIHHX-KRWDZBQOSA-N 2 2 341.455 3.365 20 0 EGADLP Oc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC000356124533 457468186 /nfs/dbraw/zinc/46/81/86/457468186.db2.gz JJIAYXPSKVEVDO-MRXNPFEDSA-N 2 2 338.329 3.459 20 0 EGADLP Oc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC000356124533 457468189 /nfs/dbraw/zinc/46/81/89/457468189.db2.gz JJIAYXPSKVEVDO-MRXNPFEDSA-N 2 2 338.329 3.459 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000360973885 457480472 /nfs/dbraw/zinc/48/04/72/457480472.db2.gz LDAVIAJYIFQXLX-YQVWRLOYSA-N 2 2 336.520 3.353 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000360981459 457486471 /nfs/dbraw/zinc/48/64/71/457486471.db2.gz LOXZRMUTFDIARM-LSDHHAIUSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000360981459 457486476 /nfs/dbraw/zinc/48/64/76/457486476.db2.gz LOXZRMUTFDIARM-LSDHHAIUSA-N 2 2 342.439 3.306 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000357414280 457507689 /nfs/dbraw/zinc/50/76/89/457507689.db2.gz MKTMJWCVEZLBLI-GDBMZVCRSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1cn2cc(NC(=O)c3ccccc3CC3CC[NH2+]CC3)ccc2[nH+]1 ZINC000342765264 457510046 /nfs/dbraw/zinc/51/00/46/457510046.db2.gz NEBLWVIMFIHLFQ-UHFFFAOYSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc[nH+]1 ZINC000361025890 457521919 /nfs/dbraw/zinc/52/19/19/457521919.db2.gz PNOCPSMZIRFMHS-KRWDZBQOSA-N 2 2 330.863 3.327 20 0 EGADLP Cc1nc(NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc[nH+]1 ZINC000361025890 457521923 /nfs/dbraw/zinc/52/19/23/457521923.db2.gz PNOCPSMZIRFMHS-KRWDZBQOSA-N 2 2 330.863 3.327 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043183 457537174 /nfs/dbraw/zinc/53/71/74/457537174.db2.gz CUBLFQZADCBIOG-QZTJIDSGSA-N 2 2 346.519 3.165 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)s1 ZINC000347607604 457547038 /nfs/dbraw/zinc/54/70/38/457547038.db2.gz JBDLDRRBCCGKJH-UHFFFAOYSA-N 2 2 343.496 3.300 20 0 EGADLP COc1ccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000406145482 457554899 /nfs/dbraw/zinc/55/48/99/457554899.db2.gz SFLUHIPHNUYIDE-NRFANRHFSA-N 2 2 340.467 3.458 20 0 EGADLP COc1ccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000406145482 457554902 /nfs/dbraw/zinc/55/49/02/457554902.db2.gz SFLUHIPHNUYIDE-NRFANRHFSA-N 2 2 340.467 3.458 20 0 EGADLP CCc1nc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc(C)[nH+]1 ZINC000342850417 457555039 /nfs/dbraw/zinc/55/50/39/457555039.db2.gz PCMFGADMTVLPKW-UHFFFAOYSA-N 2 2 339.487 3.485 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cn1 ZINC000352721621 457558804 /nfs/dbraw/zinc/55/88/04/457558804.db2.gz UYMPXOCWZXFQHF-LJQANCHMSA-N 2 2 343.446 3.294 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1)CC1CC1 ZINC000425452733 457559853 /nfs/dbraw/zinc/55/98/53/457559853.db2.gz DGAMCBQXGBZOEP-UHFFFAOYSA-N 2 2 342.434 3.341 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1)CC1CC1 ZINC000425452733 457559857 /nfs/dbraw/zinc/55/98/57/457559857.db2.gz DGAMCBQXGBZOEP-UHFFFAOYSA-N 2 2 342.434 3.341 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309071 457566198 /nfs/dbraw/zinc/56/61/98/457566198.db2.gz STGOOSCKVOXRHI-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309071 457566203 /nfs/dbraw/zinc/56/62/03/457566203.db2.gz STGOOSCKVOXRHI-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309071 457566208 /nfs/dbraw/zinc/56/62/08/457566208.db2.gz STGOOSCKVOXRHI-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309071 457566212 /nfs/dbraw/zinc/56/62/12/457566212.db2.gz STGOOSCKVOXRHI-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)s1 ZINC000352733545 457568168 /nfs/dbraw/zinc/56/81/68/457568168.db2.gz SGIFUFOQDYHGGD-OAHLLOKOSA-N 2 2 335.448 3.347 20 0 EGADLP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352738068 457570357 /nfs/dbraw/zinc/57/03/57/457570357.db2.gz MCIAXALWWNLNOP-SJKOYZFVSA-N 2 2 337.464 3.210 20 0 EGADLP Cn1c(NC2CC[NH+](CC3CCCC3)CC2)[nH+]c2cccc(F)c21 ZINC000409727683 457615771 /nfs/dbraw/zinc/61/57/71/457615771.db2.gz MCKANLDUUWXCGW-UHFFFAOYSA-N 2 2 330.451 3.201 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425921 457624802 /nfs/dbraw/zinc/62/48/02/457624802.db2.gz APDZOWLLTFRPQN-SQNIBIBYSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425921 457624807 /nfs/dbraw/zinc/62/48/07/457624807.db2.gz APDZOWLLTFRPQN-SQNIBIBYSA-N 2 2 341.455 3.025 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@H](C)[NH+]3CCSCC3)c2)[nH+]c1C ZINC000361190214 457639071 /nfs/dbraw/zinc/63/90/71/457639071.db2.gz KIPGMDMTUQHSRU-AWEZNQCLSA-N 2 2 344.484 3.069 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000364576430 457645165 /nfs/dbraw/zinc/64/51/65/457645165.db2.gz HMKYXYCRMUSDST-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000364576430 457645170 /nfs/dbraw/zinc/64/51/70/457645170.db2.gz HMKYXYCRMUSDST-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374538854 457653260 /nfs/dbraw/zinc/65/32/60/457653260.db2.gz SGZPUDBDCQSQJG-MJGOQNOKSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374538854 457653265 /nfs/dbraw/zinc/65/32/65/457653265.db2.gz SGZPUDBDCQSQJG-MJGOQNOKSA-N 2 2 345.531 3.037 20 0 EGADLP Cc1ccc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)ccc2n1 ZINC000364602712 457654941 /nfs/dbraw/zinc/65/49/41/457654941.db2.gz CDFUZJZHWVJMCR-UHFFFAOYSA-N 2 2 329.407 3.414 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000361276765 457676150 /nfs/dbraw/zinc/67/61/50/457676150.db2.gz MCWDVKRAUCMIEL-INIZCTEOSA-N 2 2 348.535 3.193 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000361276765 457676153 /nfs/dbraw/zinc/67/61/53/457676153.db2.gz MCWDVKRAUCMIEL-INIZCTEOSA-N 2 2 348.535 3.193 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000357768863 457682603 /nfs/dbraw/zinc/68/26/03/457682603.db2.gz DCNXAXQZCMCBDK-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000361328289 457694877 /nfs/dbraw/zinc/69/48/77/457694877.db2.gz JYKJEJXYNQZHAV-MAUKXSAKSA-N 2 2 337.458 3.141 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000361328289 457694878 /nfs/dbraw/zinc/69/48/78/457694878.db2.gz JYKJEJXYNQZHAV-MAUKXSAKSA-N 2 2 337.458 3.141 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCC2 ZINC000370669688 457695855 /nfs/dbraw/zinc/69/58/55/457695855.db2.gz PLCSWSZUAWVNBJ-AWEZNQCLSA-N 2 2 339.468 3.453 20 0 EGADLP CCCCNC(=O)CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000361347558 457700983 /nfs/dbraw/zinc/70/09/83/457700983.db2.gz WBSIHLZPOZODNE-UHFFFAOYSA-N 2 2 342.487 3.288 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000361372948 457708980 /nfs/dbraw/zinc/70/89/80/457708980.db2.gz ARNPYFDYGXKVSI-GYCJOSAFSA-N 2 2 347.528 3.358 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000361372948 457708981 /nfs/dbraw/zinc/70/89/81/457708981.db2.gz ARNPYFDYGXKVSI-GYCJOSAFSA-N 2 2 347.528 3.358 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[NH+](C)CC2)c1 ZINC000357892636 457725918 /nfs/dbraw/zinc/72/59/18/457725918.db2.gz DDBDHLOMBHGOMB-UHFFFAOYSA-N 2 2 341.459 3.130 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000358024544 457743433 /nfs/dbraw/zinc/74/34/33/457743433.db2.gz QZHUMJVFBJGMJB-NILFDRSVSA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)C1 ZINC000358024544 457743435 /nfs/dbraw/zinc/74/34/35/457743435.db2.gz QZHUMJVFBJGMJB-NILFDRSVSA-N 2 2 339.277 3.203 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000361471637 457743543 /nfs/dbraw/zinc/74/35/43/457743543.db2.gz SIEOOPKSRLNCFC-UKRRQHHQSA-N 2 2 346.393 3.083 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000361471637 457743547 /nfs/dbraw/zinc/74/35/47/457743547.db2.gz SIEOOPKSRLNCFC-UKRRQHHQSA-N 2 2 346.393 3.083 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C2 ZINC000426032085 457762680 /nfs/dbraw/zinc/76/26/80/457762680.db2.gz WHOGUNDCOFKMMN-QGZVFWFLSA-N 2 2 346.515 3.032 20 0 EGADLP Clc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000358067722 457764217 /nfs/dbraw/zinc/76/42/17/457764217.db2.gz XZUOMGCMUDZEBH-UHFFFAOYSA-N 2 2 345.874 3.368 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531414 457775074 /nfs/dbraw/zinc/77/50/74/457775074.db2.gz RITSXYINGNHRIQ-HIFRSBDPSA-N 2 2 345.409 3.327 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531414 457775078 /nfs/dbraw/zinc/77/50/78/457775078.db2.gz RITSXYINGNHRIQ-HIFRSBDPSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531414 457775082 /nfs/dbraw/zinc/77/50/82/457775082.db2.gz RITSXYINGNHRIQ-HIFRSBDPSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531414 457775087 /nfs/dbraw/zinc/77/50/87/457775087.db2.gz RITSXYINGNHRIQ-HIFRSBDPSA-N 2 2 345.409 3.327 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1(C)C ZINC000457722552 457807643 /nfs/dbraw/zinc/80/76/43/457807643.db2.gz ZEMHQTLOWLVDAU-FIKGOQFSSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1(C)C ZINC000457722552 457807647 /nfs/dbraw/zinc/80/76/47/457807647.db2.gz ZEMHQTLOWLVDAU-FIKGOQFSSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676188 457817783 /nfs/dbraw/zinc/81/77/83/457817783.db2.gz UBQDRSZKEYXZBF-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676188 457817785 /nfs/dbraw/zinc/81/77/85/457817785.db2.gz UBQDRSZKEYXZBF-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361676188 457817789 /nfs/dbraw/zinc/81/77/89/457817789.db2.gz UBQDRSZKEYXZBF-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361676188 457817792 /nfs/dbraw/zinc/81/77/92/457817792.db2.gz UBQDRSZKEYXZBF-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000366481092 457823516 /nfs/dbraw/zinc/82/35/16/457823516.db2.gz KHOUPNNJVJCKMV-NRFANRHFSA-N 2 2 336.483 3.377 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000366481092 457823521 /nfs/dbraw/zinc/82/35/21/457823521.db2.gz KHOUPNNJVJCKMV-NRFANRHFSA-N 2 2 336.483 3.377 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000366481092 457823530 /nfs/dbraw/zinc/82/35/30/457823530.db2.gz KHOUPNNJVJCKMV-NRFANRHFSA-N 2 2 336.483 3.377 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000366481092 457823539 /nfs/dbraw/zinc/82/35/39/457823539.db2.gz KHOUPNNJVJCKMV-NRFANRHFSA-N 2 2 336.483 3.377 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411216740 457832637 /nfs/dbraw/zinc/83/26/37/457832637.db2.gz FPFXDKIKKAAYPB-JWWGGVBKSA-N 2 2 345.506 3.172 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411216740 457832643 /nfs/dbraw/zinc/83/26/43/457832643.db2.gz FPFXDKIKKAAYPB-JWWGGVBKSA-N 2 2 345.506 3.172 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000358173931 457834467 /nfs/dbraw/zinc/83/44/67/457834467.db2.gz VZRIXMXBNKJGBO-PMPSAXMXSA-N 2 2 347.528 3.489 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762058 457842867 /nfs/dbraw/zinc/84/28/67/457842867.db2.gz BNSVYGXRVISINW-ZOBUZTSGSA-N 2 2 327.476 3.017 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762058 457842873 /nfs/dbraw/zinc/84/28/73/457842873.db2.gz BNSVYGXRVISINW-ZOBUZTSGSA-N 2 2 327.476 3.017 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c(F)cccc1Cl ZINC000371294768 457852745 /nfs/dbraw/zinc/85/27/45/457852745.db2.gz MZGRKUHVHICLAJ-DQYPLSBCSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(F)cccc1Cl ZINC000371294768 457852756 /nfs/dbraw/zinc/85/27/56/457852756.db2.gz MZGRKUHVHICLAJ-DQYPLSBCSA-N 2 2 326.843 3.163 20 0 EGADLP CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000366635365 457873976 /nfs/dbraw/zinc/87/39/76/457873976.db2.gz LFAMBFUAJDHXJU-QWFCFKBJSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000366635365 457873981 /nfs/dbraw/zinc/87/39/81/457873981.db2.gz LFAMBFUAJDHXJU-QWFCFKBJSA-N 2 2 349.563 3.076 20 0 EGADLP CC[N@H+](CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1)CC(C)C ZINC000433746912 457875965 /nfs/dbraw/zinc/87/59/65/457875965.db2.gz CAZXSUOMAHBJOY-UHFFFAOYSA-N 2 2 339.915 3.297 20 0 EGADLP CC[N@@H+](CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1)CC(C)C ZINC000433746912 457875968 /nfs/dbraw/zinc/87/59/68/457875968.db2.gz CAZXSUOMAHBJOY-UHFFFAOYSA-N 2 2 339.915 3.297 20 0 EGADLP CC[N@H+](CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1)CC(C)C ZINC000433746912 457875975 /nfs/dbraw/zinc/87/59/75/457875975.db2.gz CAZXSUOMAHBJOY-UHFFFAOYSA-N 2 2 339.915 3.297 20 0 EGADLP CC[N@@H+](CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1)CC(C)C ZINC000433746912 457875979 /nfs/dbraw/zinc/87/59/79/457875979.db2.gz CAZXSUOMAHBJOY-UHFFFAOYSA-N 2 2 339.915 3.297 20 0 EGADLP c1csc(-c2ccc(C[NH+]3CCN(Cc4[nH]cc[nH+]4)CC3)cc2)c1 ZINC000444639447 457925737 /nfs/dbraw/zinc/92/57/37/457925737.db2.gz LZLRKZMIACZEPK-UHFFFAOYSA-N 2 2 338.480 3.456 20 0 EGADLP C[C@H](CC1CCOCC1)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025743 457934362 /nfs/dbraw/zinc/93/43/62/457934362.db2.gz PHBURAIQAHOMFB-QMMLZNLJSA-N 2 2 345.531 3.459 20 0 EGADLP C[C@H](CC1CCOCC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025743 457934366 /nfs/dbraw/zinc/93/43/66/457934366.db2.gz PHBURAIQAHOMFB-QMMLZNLJSA-N 2 2 345.531 3.459 20 0 EGADLP C[C@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434025743 457934370 /nfs/dbraw/zinc/93/43/70/457934370.db2.gz PHBURAIQAHOMFB-QMMLZNLJSA-N 2 2 345.531 3.459 20 0 EGADLP C[C@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434025743 457934375 /nfs/dbraw/zinc/93/43/75/457934375.db2.gz PHBURAIQAHOMFB-QMMLZNLJSA-N 2 2 345.531 3.459 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(Cl)ccc1OC ZINC000361892115 457936358 /nfs/dbraw/zinc/93/63/58/457936358.db2.gz ZOJHIZFZXBGCEC-WMLDXEAASA-N 2 2 340.895 3.358 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361893480 457937038 /nfs/dbraw/zinc/93/70/38/457937038.db2.gz QPWXKGJJNXBEQW-QRFRQXIXSA-N 2 2 342.483 3.376 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361893480 457937040 /nfs/dbraw/zinc/93/70/40/457937040.db2.gz QPWXKGJJNXBEQW-QRFRQXIXSA-N 2 2 342.483 3.376 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@]1=O ZINC000411642683 457938622 /nfs/dbraw/zinc/93/86/22/457938622.db2.gz ZDKNMRJSUWEYDR-GAJHUEQPSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@]1=O ZINC000411642683 457938626 /nfs/dbraw/zinc/93/86/26/457938626.db2.gz ZDKNMRJSUWEYDR-GAJHUEQPSA-N 2 2 334.529 3.015 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000358336393 457942915 /nfs/dbraw/zinc/94/29/15/457942915.db2.gz PSDAOLJEROVRHF-YLJYHZDGSA-N 2 2 345.531 3.136 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000358336393 457942919 /nfs/dbraw/zinc/94/29/19/457942919.db2.gz PSDAOLJEROVRHF-YLJYHZDGSA-N 2 2 345.531 3.136 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427105708 457945511 /nfs/dbraw/zinc/94/55/11/457945511.db2.gz ABHWIBOHTAPABF-HOCLYGCPSA-N 2 2 338.879 3.321 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427105708 457945518 /nfs/dbraw/zinc/94/55/18/457945518.db2.gz ABHWIBOHTAPABF-HOCLYGCPSA-N 2 2 338.879 3.321 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427130795 457947431 /nfs/dbraw/zinc/94/74/31/457947431.db2.gz LWOPPKPSYNXREU-VQIMIIECSA-N 2 2 338.499 3.354 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427130795 457947439 /nfs/dbraw/zinc/94/74/39/457947439.db2.gz LWOPPKPSYNXREU-VQIMIIECSA-N 2 2 338.499 3.354 20 0 EGADLP CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000358366084 457958319 /nfs/dbraw/zinc/95/83/19/457958319.db2.gz FUJWFFXOQVECOH-UHFFFAOYSA-N 2 2 341.434 3.469 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000375694775 458023695 /nfs/dbraw/zinc/02/36/95/458023695.db2.gz XFVMUAXPVJPTSY-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000375694775 458023701 /nfs/dbraw/zinc/02/37/01/458023701.db2.gz XFVMUAXPVJPTSY-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427861413 458045556 /nfs/dbraw/zinc/04/55/56/458045556.db2.gz SUWZCIQJJQUIHX-NEPJUHHUSA-N 2 2 335.835 3.219 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031495 458069000 /nfs/dbraw/zinc/06/90/00/458069000.db2.gz LBCLMVQPFRMIHI-JZXOWHBKSA-N 2 2 329.488 3.129 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031495 458069003 /nfs/dbraw/zinc/06/90/03/458069003.db2.gz LBCLMVQPFRMIHI-JZXOWHBKSA-N 2 2 329.488 3.129 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000375838447 458089526 /nfs/dbraw/zinc/08/95/26/458089526.db2.gz JFDWIIJVAPYRKU-STQMWFEESA-N 2 2 333.457 3.268 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376039 458125740 /nfs/dbraw/zinc/12/57/40/458125740.db2.gz YEYOMRJBHWBXCK-NEPJUHHUSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376039 458125742 /nfs/dbraw/zinc/12/57/42/458125742.db2.gz YEYOMRJBHWBXCK-NEPJUHHUSA-N 2 2 349.276 3.008 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000435381124 458128694 /nfs/dbraw/zinc/12/86/94/458128694.db2.gz RLKSIYRSRXVUHK-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000435381124 458128697 /nfs/dbraw/zinc/12/86/97/458128697.db2.gz RLKSIYRSRXVUHK-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000435384409 458131911 /nfs/dbraw/zinc/13/19/11/458131911.db2.gz MQWKAZMJEIWPLB-HNNXBMFYSA-N 2 2 344.455 3.062 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000435384409 458131920 /nfs/dbraw/zinc/13/19/20/458131920.db2.gz MQWKAZMJEIWPLB-HNNXBMFYSA-N 2 2 344.455 3.062 20 0 EGADLP CC(C)n1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435395323 458135959 /nfs/dbraw/zinc/13/59/59/458135959.db2.gz SFVMCUYDORCJES-IBGZPJMESA-N 2 2 327.476 3.003 20 0 EGADLP CC(C)n1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435395323 458135967 /nfs/dbraw/zinc/13/59/67/458135967.db2.gz SFVMCUYDORCJES-IBGZPJMESA-N 2 2 327.476 3.003 20 0 EGADLP Fc1ccccc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420795 458141660 /nfs/dbraw/zinc/14/16/60/458141660.db2.gz DWPUTNQRBMFJSP-INIZCTEOSA-N 2 2 331.460 3.427 20 0 EGADLP Fc1ccccc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420795 458141665 /nfs/dbraw/zinc/14/16/65/458141665.db2.gz DWPUTNQRBMFJSP-INIZCTEOSA-N 2 2 331.460 3.427 20 0 EGADLP Oc1cc(F)cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435430273 458144293 /nfs/dbraw/zinc/14/42/93/458144293.db2.gz ZXDSYAREBVCCAG-MRXNPFEDSA-N 2 2 347.459 3.132 20 0 EGADLP Oc1cc(F)cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435430273 458144300 /nfs/dbraw/zinc/14/43/00/458144300.db2.gz ZXDSYAREBVCCAG-MRXNPFEDSA-N 2 2 347.459 3.132 20 0 EGADLP Cn1ccnc1C[N@H+](C/C=C\c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432736 458144715 /nfs/dbraw/zinc/14/47/15/458144715.db2.gz OMJGBHICIGJCEY-ZXYDQQDNSA-N 2 2 336.483 3.078 20 0 EGADLP Cn1ccnc1C[N@@H+](C/C=C\c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432736 458144719 /nfs/dbraw/zinc/14/47/19/458144719.db2.gz OMJGBHICIGJCEY-ZXYDQQDNSA-N 2 2 336.483 3.078 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H](C)[NH+]1C ZINC000358678637 458147314 /nfs/dbraw/zinc/14/73/14/458147314.db2.gz MDVLJLDRKVCSAV-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435620746 458173657 /nfs/dbraw/zinc/17/36/57/458173657.db2.gz FOICHMZSFIYHFU-KRWDZBQOSA-N 2 2 328.460 3.434 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435620746 458173662 /nfs/dbraw/zinc/17/36/62/458173662.db2.gz FOICHMZSFIYHFU-KRWDZBQOSA-N 2 2 328.460 3.434 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358729464 458175587 /nfs/dbraw/zinc/17/55/87/458175587.db2.gz YGHBFTUVMCZXCY-HNAYVOBHSA-N 3 2 335.923 3.234 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358729464 458175594 /nfs/dbraw/zinc/17/55/94/458175594.db2.gz YGHBFTUVMCZXCY-HNAYVOBHSA-N 3 2 335.923 3.234 20 0 EGADLP CC[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435629215 458176838 /nfs/dbraw/zinc/17/68/38/458176838.db2.gz SPYWIEUBCGWXMR-HNNXBMFYSA-N 2 2 334.851 3.354 20 0 EGADLP CC[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435629215 458176844 /nfs/dbraw/zinc/17/68/44/458176844.db2.gz SPYWIEUBCGWXMR-HNNXBMFYSA-N 2 2 334.851 3.354 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000435988400 458232849 /nfs/dbraw/zinc/23/28/49/458232849.db2.gz GMNJOWZVACUJAA-SFHVURJKSA-N 2 2 340.471 3.089 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000435988400 458232857 /nfs/dbraw/zinc/23/28/57/458232857.db2.gz GMNJOWZVACUJAA-SFHVURJKSA-N 2 2 340.471 3.089 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)[nH+]1 ZINC000369512035 458244263 /nfs/dbraw/zinc/24/42/63/458244263.db2.gz QDRRIHFNYGKKJX-OAHLLOKOSA-N 2 2 329.448 3.048 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)[nH+]1 ZINC000369512035 458244266 /nfs/dbraw/zinc/24/42/66/458244266.db2.gz QDRRIHFNYGKKJX-OAHLLOKOSA-N 2 2 329.448 3.048 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526312 458246567 /nfs/dbraw/zinc/24/65/67/458246567.db2.gz QQKUEKOREULQQN-BRWVUGGUSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526312 458246575 /nfs/dbraw/zinc/24/65/75/458246575.db2.gz QQKUEKOREULQQN-BRWVUGGUSA-N 2 2 326.843 3.163 20 0 EGADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027446 458261109 /nfs/dbraw/zinc/26/11/09/458261109.db2.gz ZRMMAUPSUJPKOT-LQWHRVPQSA-N 2 2 338.499 3.094 20 0 EGADLP C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027446 458261110 /nfs/dbraw/zinc/26/11/10/458261110.db2.gz ZRMMAUPSUJPKOT-LQWHRVPQSA-N 2 2 338.499 3.094 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330234 458278763 /nfs/dbraw/zinc/27/87/63/458278763.db2.gz FQPRYQYWXLEOEO-PZJWPPBQSA-N 2 2 329.532 3.070 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330234 458278766 /nfs/dbraw/zinc/27/87/66/458278766.db2.gz FQPRYQYWXLEOEO-PZJWPPBQSA-N 2 2 329.532 3.070 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[NH+](CC)CC)CCC2 ZINC000447509301 458302504 /nfs/dbraw/zinc/30/25/04/458302504.db2.gz FIPRYYOSZKEYOJ-OAHLLOKOSA-N 2 2 336.476 3.464 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000372494617 458304035 /nfs/dbraw/zinc/30/40/35/458304035.db2.gz COGYQRDMSGMXMX-HNNXBMFYSA-N 2 2 344.459 3.214 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000447540379 458307807 /nfs/dbraw/zinc/30/78/07/458307807.db2.gz CTJUFTWRPQGFKH-OXQOHEQNSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000447540379 458307809 /nfs/dbraw/zinc/30/78/09/458307809.db2.gz CTJUFTWRPQGFKH-OXQOHEQNSA-N 2 2 326.488 3.154 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3cccnc3)CC1)CCO2 ZINC000436481268 458311221 /nfs/dbraw/zinc/31/12/21/458311221.db2.gz VZTWPRLVALEDKM-LJQANCHMSA-N 2 2 341.430 3.299 20 0 EGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429460292 458334430 /nfs/dbraw/zinc/33/44/30/458334430.db2.gz XRBHFJFDTDVERS-NQIIRXRSSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429460292 458334433 /nfs/dbraw/zinc/33/44/33/458334433.db2.gz XRBHFJFDTDVERS-NQIIRXRSSA-N 2 2 346.515 3.072 20 0 EGADLP C[N@H+](CCOCC1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000459346918 458338128 /nfs/dbraw/zinc/33/81/28/458338128.db2.gz QVEJWKHFPOWFKY-UHFFFAOYSA-N 2 2 345.531 3.227 20 0 EGADLP C[N@@H+](CCOCC1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000459346918 458338132 /nfs/dbraw/zinc/33/81/32/458338132.db2.gz QVEJWKHFPOWFKY-UHFFFAOYSA-N 2 2 345.531 3.227 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531086 458340155 /nfs/dbraw/zinc/34/01/55/458340155.db2.gz AANKUISAFCGLJN-NVXWUHKLSA-N 2 2 349.544 3.000 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531086 458340159 /nfs/dbraw/zinc/34/01/59/458340159.db2.gz AANKUISAFCGLJN-NVXWUHKLSA-N 2 2 349.544 3.000 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034112 458382804 /nfs/dbraw/zinc/38/28/04/458382804.db2.gz ZTSZPBNREFGQBU-WMLDXEAASA-N 2 2 335.467 3.253 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448034112 458382806 /nfs/dbraw/zinc/38/28/06/458382806.db2.gz ZTSZPBNREFGQBU-WMLDXEAASA-N 2 2 335.467 3.253 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373114571 458401729 /nfs/dbraw/zinc/40/17/29/458401729.db2.gz BATVLECZMLMTAM-CQSZACIVSA-N 2 2 341.434 3.308 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373114571 458401735 /nfs/dbraw/zinc/40/17/35/458401735.db2.gz BATVLECZMLMTAM-CQSZACIVSA-N 2 2 341.434 3.308 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1F ZINC000437008508 458422306 /nfs/dbraw/zinc/42/23/06/458422306.db2.gz SDNQIXGILYFFST-CMPLNLGQSA-N 2 2 338.224 3.450 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CCC[NH2+]1 ZINC000423439032 458433969 /nfs/dbraw/zinc/43/39/69/458433969.db2.gz VCKDCKLVLZXHMK-DOMZBBRYSA-N 2 2 332.366 3.004 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000423518628 458449598 /nfs/dbraw/zinc/44/95/98/458449598.db2.gz OWCBWIKOHBWUKX-KGLIPLIRSA-N 2 2 333.476 3.108 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc2ccccc2c1OC(F)F ZINC000423529786 458452549 /nfs/dbraw/zinc/45/25/49/458452549.db2.gz VVIQVOQJYMSOTR-TZMCWYRMSA-N 2 2 336.382 3.080 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)cc1 ZINC000423543151 458455310 /nfs/dbraw/zinc/45/53/10/458455310.db2.gz BNPDMTNDZIHOIR-MSOLQXFVSA-N 2 2 334.822 3.147 20 0 EGADLP CCCCCOc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423546431 458456358 /nfs/dbraw/zinc/45/63/58/458456358.db2.gz DGFFKOIFQDYJNP-UXHICEINSA-N 2 2 332.488 3.285 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000430542123 458458431 /nfs/dbraw/zinc/45/84/31/458458431.db2.gz CEHCQDJXXCEYNF-VQTJNVASSA-N 2 2 349.494 3.136 20 0 EGADLP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000430547124 458458894 /nfs/dbraw/zinc/45/88/94/458458894.db2.gz FERPUFALWNGMDK-GFCCVEGCSA-N 2 2 348.516 3.396 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000430575958 458465375 /nfs/dbraw/zinc/46/53/75/458465375.db2.gz LWHXCOCPBMRTGA-ZBEGNZNMSA-N 2 2 346.302 3.134 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000430585828 458466940 /nfs/dbraw/zinc/46/69/40/458466940.db2.gz XNIUNSGKSRGUHM-LEWJYISDSA-N 2 2 345.531 3.387 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000430585830 458467134 /nfs/dbraw/zinc/46/71/34/458467134.db2.gz XNIUNSGKSRGUHM-NHCUHLMSSA-N 2 2 345.531 3.387 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000430594046 458468061 /nfs/dbraw/zinc/46/80/61/458468061.db2.gz UYAZQTANGDOVEV-NRFANRHFSA-N 2 2 339.483 3.183 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1C[NH3+] ZINC000430594184 458468195 /nfs/dbraw/zinc/46/81/95/458468195.db2.gz JZOYMUXHBMOOMM-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1C[NH3+] ZINC000430594184 458468201 /nfs/dbraw/zinc/46/82/01/458468201.db2.gz JZOYMUXHBMOOMM-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611868 458471522 /nfs/dbraw/zinc/47/15/22/458471522.db2.gz PXKYFQADMAFIHO-CRAIPNDOSA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611868 458471527 /nfs/dbraw/zinc/47/15/27/458471527.db2.gz PXKYFQADMAFIHO-CRAIPNDOSA-N 2 2 349.494 3.090 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633422 458473435 /nfs/dbraw/zinc/47/34/35/458473435.db2.gz PMTAZAVUFMLNBK-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633422 458473438 /nfs/dbraw/zinc/47/34/38/458473438.db2.gz PMTAZAVUFMLNBK-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640335 458474732 /nfs/dbraw/zinc/47/47/32/458474732.db2.gz HDHHJROARXBUIM-PXNSSMCTSA-N 2 2 337.467 3.298 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640335 458474738 /nfs/dbraw/zinc/47/47/38/458474738.db2.gz HDHHJROARXBUIM-PXNSSMCTSA-N 2 2 337.467 3.298 20 0 EGADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000423809404 458487926 /nfs/dbraw/zinc/48/79/26/458487926.db2.gz KEFNMLFNLSQYCL-GOSISDBHSA-N 2 2 334.423 3.398 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437767067 458489951 /nfs/dbraw/zinc/48/99/51/458489951.db2.gz WEZOBPIDJPQYBP-JOQOYGCGSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437767067 458489955 /nfs/dbraw/zinc/48/99/55/458489955.db2.gz WEZOBPIDJPQYBP-JOQOYGCGSA-N 2 2 340.870 3.488 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000430807797 458493296 /nfs/dbraw/zinc/49/32/96/458493296.db2.gz UIRKMNSHVKCHOR-INIZCTEOSA-N 2 2 326.444 3.431 20 0 EGADLP CC[C@@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC[NH2+]1 ZINC000423838731 458494759 /nfs/dbraw/zinc/49/47/59/458494759.db2.gz HJUCYKWDLSJZRN-FQEVSTJZSA-N 2 2 336.439 3.073 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000430922376 458504662 /nfs/dbraw/zinc/50/46/62/458504662.db2.gz ZWUWKJOHPHOECZ-NSHDSACASA-N 2 2 344.286 3.252 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C(C)C)cc1 ZINC000430926747 458506341 /nfs/dbraw/zinc/50/63/41/458506341.db2.gz GZTJLFHQDMIYTI-LKUPVBHCSA-N 2 2 345.531 3.292 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C(C)C)cc1 ZINC000430926747 458506347 /nfs/dbraw/zinc/50/63/47/458506347.db2.gz GZTJLFHQDMIYTI-LKUPVBHCSA-N 2 2 345.531 3.292 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C(CC)(CC)C[NH3+])ccc2n1C1CC1 ZINC000423926609 458514245 /nfs/dbraw/zinc/51/42/45/458514245.db2.gz DOFXMNTZHIZDFN-UHFFFAOYSA-N 2 2 342.487 3.315 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377765827 458518465 /nfs/dbraw/zinc/51/84/65/458518465.db2.gz YBFAUGYMBJNYCM-APWZRJJASA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377765827 458518467 /nfs/dbraw/zinc/51/84/67/458518467.db2.gz YBFAUGYMBJNYCM-APWZRJJASA-N 2 2 337.458 3.128 20 0 EGADLP [NH3+][C@@H](CCC(=O)NCCCNc1cccc[nH+]1)CC1CCCCC1 ZINC000424141411 458569504 /nfs/dbraw/zinc/56/95/04/458569504.db2.gz XEVJRBMROTUUPQ-KRWDZBQOSA-N 2 2 332.492 3.078 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000377967344 458584948 /nfs/dbraw/zinc/58/49/48/458584948.db2.gz ZLVZGJJMDKPWHC-ZBFHGGJFSA-N 2 2 329.444 3.437 20 0 EGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000493967470 458607591 /nfs/dbraw/zinc/60/75/91/458607591.db2.gz GRCJLLHMMHVRFX-APWZRJJASA-N 2 2 334.504 3.242 20 0 EGADLP C[NH+](C)[C@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000431725274 458613892 /nfs/dbraw/zinc/61/38/92/458613892.db2.gz MDQSJYHDIXBOMH-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP CC[N@H+](CCCNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424434897 458643413 /nfs/dbraw/zinc/64/34/13/458643413.db2.gz HIKDODQYEZYQFD-UHFFFAOYSA-N 2 2 340.471 3.492 20 0 EGADLP CC[N@@H+](CCCNC(=O)Nc1cc(C)cc(C[NH3+])c1)c1ccccc1 ZINC000424434897 458643416 /nfs/dbraw/zinc/64/34/16/458643416.db2.gz HIKDODQYEZYQFD-UHFFFAOYSA-N 2 2 340.471 3.492 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494435530 458677069 /nfs/dbraw/zinc/67/70/69/458677069.db2.gz IQFVPXXNAFCSQG-UHFFFAOYSA-N 2 2 334.261 3.321 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000494435530 458677070 /nfs/dbraw/zinc/67/70/70/458677070.db2.gz IQFVPXXNAFCSQG-UHFFFAOYSA-N 2 2 334.261 3.321 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)CCCO1 ZINC000432350490 458721170 /nfs/dbraw/zinc/72/11/70/458721170.db2.gz YNPCJUOWIMMYQW-INIZCTEOSA-N 2 2 345.512 3.401 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2nc(-c3ccccc3)cs2)CCCO1 ZINC000432350490 458721177 /nfs/dbraw/zinc/72/11/77/458721177.db2.gz YNPCJUOWIMMYQW-INIZCTEOSA-N 2 2 345.512 3.401 20 0 EGADLP CCCCOc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432345701 458721326 /nfs/dbraw/zinc/72/13/26/458721326.db2.gz ISFRDTOHQSUABA-GOSISDBHSA-N 2 2 334.504 3.456 20 0 EGADLP CCCCOc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432345701 458721333 /nfs/dbraw/zinc/72/13/33/458721333.db2.gz ISFRDTOHQSUABA-GOSISDBHSA-N 2 2 334.504 3.456 20 0 EGADLP Cc1ccc(-c2ncc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)s2)o1 ZINC000432355649 458723289 /nfs/dbraw/zinc/72/32/89/458723289.db2.gz GANCVRQKVKWGHX-OAHLLOKOSA-N 2 2 349.500 3.302 20 0 EGADLP Cc1ccc(-c2ncc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)s2)o1 ZINC000432355649 458723295 /nfs/dbraw/zinc/72/32/95/458723295.db2.gz GANCVRQKVKWGHX-OAHLLOKOSA-N 2 2 349.500 3.302 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cnn1-c1ccc(F)cc1 ZINC000530225121 458723448 /nfs/dbraw/zinc/72/34/48/458723448.db2.gz WOLNJGVJIULLEU-SCLBCKFNSA-N 2 2 328.435 3.255 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000530232417 458725417 /nfs/dbraw/zinc/72/54/17/458725417.db2.gz OWTPFCKJSQBCCL-OHESCVLLSA-N 2 2 328.500 3.290 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000530232417 458725420 /nfs/dbraw/zinc/72/54/20/458725420.db2.gz OWTPFCKJSQBCCL-OHESCVLLSA-N 2 2 328.500 3.290 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000471834593 458740480 /nfs/dbraw/zinc/74/04/80/458740480.db2.gz SOSHVEJUBDAANK-MSOLQXFVSA-N 2 2 340.471 3.119 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000471834593 458740488 /nfs/dbraw/zinc/74/04/88/458740488.db2.gz SOSHVEJUBDAANK-MSOLQXFVSA-N 2 2 340.471 3.119 20 0 EGADLP CCC(CC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464317463 458742227 /nfs/dbraw/zinc/74/22/27/458742227.db2.gz JPQLDBPOBLOZPD-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP CCC(CC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464317463 458742232 /nfs/dbraw/zinc/74/22/32/458742232.db2.gz JPQLDBPOBLOZPD-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000547471075 458745489 /nfs/dbraw/zinc/74/54/89/458745489.db2.gz QQRAQDBDJGYXJA-UHFFFAOYSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000547471075 458745494 /nfs/dbraw/zinc/74/54/94/458745494.db2.gz QQRAQDBDJGYXJA-UHFFFAOYSA-N 2 2 342.487 3.068 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2[nH+]1 ZINC000495250087 458821304 /nfs/dbraw/zinc/82/13/04/458821304.db2.gz PHYSVMYLEHMDQE-KRWDZBQOSA-N 2 2 326.444 3.471 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2[nH+]1 ZINC000495250087 458821310 /nfs/dbraw/zinc/82/13/10/458821310.db2.gz PHYSVMYLEHMDQE-KRWDZBQOSA-N 2 2 326.444 3.471 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000495271440 458823272 /nfs/dbraw/zinc/82/32/72/458823272.db2.gz RTRDZJGGCGFYFW-HOTGVXAUSA-N 2 2 336.480 3.089 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902442 458843219 /nfs/dbraw/zinc/84/32/19/458843219.db2.gz DOYGOWZOQSSBHY-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902442 458843225 /nfs/dbraw/zinc/84/32/25/458843225.db2.gz DOYGOWZOQSSBHY-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902442 458843232 /nfs/dbraw/zinc/84/32/32/458843232.db2.gz DOYGOWZOQSSBHY-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C ZINC000530902442 458843238 /nfs/dbraw/zinc/84/32/38/458843238.db2.gz DOYGOWZOQSSBHY-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495402153 458850244 /nfs/dbraw/zinc/85/02/44/458850244.db2.gz FWLMIYJIUACBDE-KRWDZBQOSA-N 2 2 337.508 3.018 20 0 EGADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495402153 458850246 /nfs/dbraw/zinc/85/02/46/458850246.db2.gz FWLMIYJIUACBDE-KRWDZBQOSA-N 2 2 337.508 3.018 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000474053409 458856640 /nfs/dbraw/zinc/85/66/40/458856640.db2.gz OPECVTUWTAXTQC-IEBWSBKVSA-N 2 2 334.529 3.445 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000474597938 458892713 /nfs/dbraw/zinc/89/27/13/458892713.db2.gz BFCHVUHRMWTQAZ-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000474597938 458892718 /nfs/dbraw/zinc/89/27/18/458892718.db2.gz BFCHVUHRMWTQAZ-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000518797504 458894370 /nfs/dbraw/zinc/89/43/70/458894370.db2.gz WNBLTLIDASCKRM-HKUYNNGSSA-N 2 2 347.547 3.459 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000518797504 458894372 /nfs/dbraw/zinc/89/43/72/458894372.db2.gz WNBLTLIDASCKRM-HKUYNNGSSA-N 2 2 347.547 3.459 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@@H]1C ZINC000474722245 458899256 /nfs/dbraw/zinc/89/92/56/458899256.db2.gz YZVWBRMHLZOGQF-AFKBCAQJSA-N 2 2 344.499 3.389 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@@H]1C ZINC000474722245 458899263 /nfs/dbraw/zinc/89/92/63/458899263.db2.gz YZVWBRMHLZOGQF-AFKBCAQJSA-N 2 2 344.499 3.389 20 0 EGADLP C[C@@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000495687654 458919552 /nfs/dbraw/zinc/91/95/52/458919552.db2.gz LMKBMGJIAKVMEG-FHERZECASA-N 2 2 339.524 3.142 20 0 EGADLP C[C@@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000495687654 458919559 /nfs/dbraw/zinc/91/95/59/458919559.db2.gz LMKBMGJIAKVMEG-FHERZECASA-N 2 2 339.524 3.142 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556118994 458929027 /nfs/dbraw/zinc/92/90/27/458929027.db2.gz XEORUMGQYKCMSB-HOJAQTOUSA-N 2 2 340.467 3.154 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556118994 458929030 /nfs/dbraw/zinc/92/90/30/458929030.db2.gz XEORUMGQYKCMSB-HOJAQTOUSA-N 2 2 340.467 3.154 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495746829 458939060 /nfs/dbraw/zinc/93/90/60/458939060.db2.gz DYFCRVWHKWJROL-KLAILNCOSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495746829 458939064 /nfs/dbraw/zinc/93/90/64/458939064.db2.gz DYFCRVWHKWJROL-KLAILNCOSA-N 2 2 339.524 3.001 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000556233520 458940223 /nfs/dbraw/zinc/94/02/23/458940223.db2.gz JEHRDZHZTFJHJJ-APWZRJJASA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000556233520 458940230 /nfs/dbraw/zinc/94/02/30/458940230.db2.gz JEHRDZHZTFJHJJ-APWZRJJASA-N 2 2 325.456 3.405 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)o1 ZINC000531677725 458958887 /nfs/dbraw/zinc/95/88/87/458958887.db2.gz STMGDXBWGVJDSF-CVEARBPZSA-N 2 2 333.501 3.289 20 0 EGADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000566555715 458959800 /nfs/dbraw/zinc/95/98/00/458959800.db2.gz SIFGHWZMJQWTRL-HOTGVXAUSA-N 2 2 338.377 3.028 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)nnn1-c1ccc(C)cc1 ZINC000531684797 458961143 /nfs/dbraw/zinc/96/11/43/458961143.db2.gz VNLWPXDPSFAZBE-INIZCTEOSA-N 2 2 338.459 3.212 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000566615400 458970184 /nfs/dbraw/zinc/97/01/84/458970184.db2.gz JCBZPIZDDBYFMX-WAOWUJCRSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000566615400 458970189 /nfs/dbraw/zinc/97/01/89/458970189.db2.gz JCBZPIZDDBYFMX-WAOWUJCRSA-N 2 2 326.484 3.261 20 0 EGADLP Cc1ccc(SCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1C ZINC000519605467 458972026 /nfs/dbraw/zinc/97/20/26/458972026.db2.gz LMKRSXDDEVFCHV-UHFFFAOYSA-N 2 2 348.556 3.222 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000531965102 459008464 /nfs/dbraw/zinc/00/84/64/459008464.db2.gz FAGJTMYSBJKLHU-MJGOQNOKSA-N 2 2 327.472 3.227 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000531988076 459011779 /nfs/dbraw/zinc/01/17/79/459011779.db2.gz PTEAUNQYCAKCMQ-DOTOQJQBSA-N 2 2 340.471 3.384 20 0 EGADLP CCOC(=O)N1CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000495995973 459031557 /nfs/dbraw/zinc/03/15/57/459031557.db2.gz WGVLNBBWNFVALG-LJQANCHMSA-N 2 2 341.455 3.050 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)cc1 ZINC000442787648 459036001 /nfs/dbraw/zinc/03/60/01/459036001.db2.gz HVGPFXOMYYJLEK-FKEKPDDDSA-N 2 2 327.428 3.065 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)co2)cc1 ZINC000442787648 459036006 /nfs/dbraw/zinc/03/60/06/459036006.db2.gz HVGPFXOMYYJLEK-FKEKPDDDSA-N 2 2 327.428 3.065 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)nnn1-c1ccc(F)cc1 ZINC000532194918 459044886 /nfs/dbraw/zinc/04/48/86/459044886.db2.gz DXKLMHBQTJNHAJ-CQSZACIVSA-N 2 2 342.422 3.042 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149468 459087275 /nfs/dbraw/zinc/08/72/75/459087275.db2.gz WKKAFSPTFDGQFS-CKEIUWERSA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149468 459087281 /nfs/dbraw/zinc/08/72/81/459087281.db2.gz WKKAFSPTFDGQFS-CKEIUWERSA-N 2 2 348.491 3.035 20 0 EGADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198126 459104512 /nfs/dbraw/zinc/10/45/12/459104512.db2.gz QWRKTGSYGJRDKG-YOEHRIQHSA-N 2 2 333.476 3.382 20 0 EGADLP Cc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198126 459104517 /nfs/dbraw/zinc/10/45/17/459104517.db2.gz QWRKTGSYGJRDKG-YOEHRIQHSA-N 2 2 333.476 3.382 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n1C ZINC000521069376 459118301 /nfs/dbraw/zinc/11/83/01/459118301.db2.gz IEFGKBBDCPQBLJ-UHFFFAOYSA-N 3 2 326.488 3.250 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000479438326 459140336 /nfs/dbraw/zinc/14/03/36/459140336.db2.gz IUPWCLIGEQAYCE-UHFFFAOYSA-N 2 2 336.439 3.435 20 0 EGADLP Cc1ccc(C(=O)C2CC[NH+](CCc3c[nH+]cn3C)CC2)c(C)c1 ZINC000578118048 459148959 /nfs/dbraw/zinc/14/89/59/459148959.db2.gz GQYYKFIJROEXTL-UHFFFAOYSA-N 2 2 325.456 3.174 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000567724052 459153919 /nfs/dbraw/zinc/15/39/19/459153919.db2.gz WIPGCMRFYCQUSN-NEPJUHHUSA-N 2 2 332.366 3.072 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000567725824 459154292 /nfs/dbraw/zinc/15/42/92/459154292.db2.gz KYPJYAIDUTZRAR-NQIIRXRSSA-N 2 2 349.478 3.228 20 0 EGADLP c1cn(Cc2ccc(N[C@@H]3CCC[C@H]([C@H]4CCOC4)C3)[nH+]c2)c[nH+]1 ZINC000558417559 459156609 /nfs/dbraw/zinc/15/66/09/459156609.db2.gz GQBDTFZSJQXCHG-OKZBNKHCSA-N 2 2 326.444 3.334 20 0 EGADLP Cc1ccc(CCC[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)c[nH+]1 ZINC000496346652 459159636 /nfs/dbraw/zinc/15/96/36/459159636.db2.gz VOTLHUQNRVQXOB-ROUUACIJSA-N 2 2 345.487 3.264 20 0 EGADLP Cc1cc(OCC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)ccc1C(C)C ZINC000578203647 459161414 /nfs/dbraw/zinc/16/14/14/459161414.db2.gz YLJOARLMTFIUKK-UHFFFAOYSA-N 2 2 348.531 3.322 20 0 EGADLP c1cc(NC2CC3(CCC3)C2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000521827000 459181455 /nfs/dbraw/zinc/18/14/55/459181455.db2.gz SMNCFPXMPMXQFG-UHFFFAOYSA-N 2 2 340.471 3.182 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000578438164 459201254 /nfs/dbraw/zinc/20/12/54/459201254.db2.gz ZQSSUTWNIMEDNE-IAGOWNOFSA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000578438164 459201258 /nfs/dbraw/zinc/20/12/58/459201258.db2.gz ZQSSUTWNIMEDNE-IAGOWNOFSA-N 2 2 344.503 3.151 20 0 EGADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533295197 459214424 /nfs/dbraw/zinc/21/44/24/459214424.db2.gz XYKPZTLJPGKBQH-KRWDZBQOSA-N 2 2 342.487 3.082 20 0 EGADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533295197 459214430 /nfs/dbraw/zinc/21/44/30/459214430.db2.gz XYKPZTLJPGKBQH-KRWDZBQOSA-N 2 2 342.487 3.082 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483586 459241810 /nfs/dbraw/zinc/24/18/10/459241810.db2.gz WWMPRQHBVXWENC-MXDZQPNWSA-N 2 2 330.516 3.188 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483586 459241815 /nfs/dbraw/zinc/24/18/15/459241815.db2.gz WWMPRQHBVXWENC-MXDZQPNWSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483586 459241820 /nfs/dbraw/zinc/24/18/20/459241820.db2.gz WWMPRQHBVXWENC-MXDZQPNWSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483586 459241827 /nfs/dbraw/zinc/24/18/27/459241827.db2.gz WWMPRQHBVXWENC-MXDZQPNWSA-N 2 2 330.516 3.188 20 0 EGADLP O=C(C[N@H+](C1CC1)C1CCCC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000559216113 459242997 /nfs/dbraw/zinc/24/29/97/459242997.db2.gz NUSNMRLIUZAUOX-UHFFFAOYSA-N 2 2 348.516 3.084 20 0 EGADLP O=C(C[N@@H+](C1CC1)C1CCCC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000559216113 459243004 /nfs/dbraw/zinc/24/30/04/459243004.db2.gz NUSNMRLIUZAUOX-UHFFFAOYSA-N 2 2 348.516 3.084 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000559761178 459275529 /nfs/dbraw/zinc/27/55/29/459275529.db2.gz XEIMGRLBLKMXCY-MRXNPFEDSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000559761178 459275533 /nfs/dbraw/zinc/27/55/33/459275533.db2.gz XEIMGRLBLKMXCY-MRXNPFEDSA-N 2 2 326.843 3.166 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496666233 459279153 /nfs/dbraw/zinc/27/91/53/459279153.db2.gz ZNGXYKJQVMPNSC-XHSDSOJGSA-N 2 2 336.480 3.039 20 0 EGADLP CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCc1c[nH+]cn1C ZINC000590955064 459281552 /nfs/dbraw/zinc/28/15/52/459281552.db2.gz SBXPZTZNEXYLJA-QGZVFWFLSA-N 2 2 349.862 3.242 20 0 EGADLP CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000590955064 459281554 /nfs/dbraw/zinc/28/15/54/459281554.db2.gz SBXPZTZNEXYLJA-QGZVFWFLSA-N 2 2 349.862 3.242 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000534129866 459292460 /nfs/dbraw/zinc/29/24/60/459292460.db2.gz VVJOWTUHVVSXAX-UHFFFAOYSA-N 2 2 331.441 3.006 20 0 EGADLP COC(=O)N1CCC([NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)CC1 ZINC000496709975 459295163 /nfs/dbraw/zinc/29/51/63/459295163.db2.gz QRFCFOGAOJFVPG-UHFFFAOYSA-N 2 2 328.416 3.132 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(=O)Nc1cccc(F)c1C)CCC2 ZINC000568502015 459297914 /nfs/dbraw/zinc/29/79/14/459297914.db2.gz KREFQLAMJMUYCE-HNNXBMFYSA-N 2 2 344.434 3.135 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000560124930 459303722 /nfs/dbraw/zinc/30/37/22/459303722.db2.gz AGSWXEPDOCDHQI-QXOCSCLMSA-N 2 2 332.488 3.378 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591195571 459330547 /nfs/dbraw/zinc/33/05/47/459330547.db2.gz CYWKLHAVNXICTD-LJQANCHMSA-N 2 2 340.471 3.007 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496904860 459364480 /nfs/dbraw/zinc/36/44/80/459364480.db2.gz WREWIPVAGNEOJX-IAGOWNOFSA-N 2 2 333.476 3.358 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000483471434 459371215 /nfs/dbraw/zinc/37/12/15/459371215.db2.gz ILTVSAPKTWCXGL-LPHOPBHVSA-N 2 2 343.515 3.339 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000483471434 459371218 /nfs/dbraw/zinc/37/12/18/459371218.db2.gz ILTVSAPKTWCXGL-LPHOPBHVSA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000483471434 459371222 /nfs/dbraw/zinc/37/12/22/459371222.db2.gz ILTVSAPKTWCXGL-LPHOPBHVSA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000483471434 459371226 /nfs/dbraw/zinc/37/12/26/459371226.db2.gz ILTVSAPKTWCXGL-LPHOPBHVSA-N 2 2 343.515 3.339 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000582568933 459387393 /nfs/dbraw/zinc/38/73/93/459387393.db2.gz IKCRDCZQYMMTEQ-GOSISDBHSA-N 2 2 334.467 3.482 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000582568933 459387398 /nfs/dbraw/zinc/38/73/98/459387398.db2.gz IKCRDCZQYMMTEQ-GOSISDBHSA-N 2 2 334.467 3.482 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000497056811 459421703 /nfs/dbraw/zinc/42/17/03/459421703.db2.gz LUXHSKLDOJYQLS-KRWDZBQOSA-N 2 2 333.476 3.216 20 0 EGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000561129735 459422305 /nfs/dbraw/zinc/42/23/05/459422305.db2.gz AOTAPVKMKPOQEH-XMSQKQJNSA-N 2 2 338.495 3.373 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485189049 459443867 /nfs/dbraw/zinc/44/38/67/459443867.db2.gz PVZKNEQBHAPSLP-AEFFLSMTSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485189049 459443873 /nfs/dbraw/zinc/44/38/73/459443873.db2.gz PVZKNEQBHAPSLP-AEFFLSMTSA-N 2 2 332.451 3.374 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)c[nH+]1 ZINC000591869331 459460402 /nfs/dbraw/zinc/46/04/02/459460402.db2.gz PVZXSDBJQWVORQ-GOSISDBHSA-N 2 2 347.466 3.395 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)c[nH+]1 ZINC000591869331 459460406 /nfs/dbraw/zinc/46/04/06/459460406.db2.gz PVZXSDBJQWVORQ-GOSISDBHSA-N 2 2 347.466 3.395 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495591 459461883 /nfs/dbraw/zinc/46/18/83/459461883.db2.gz HHPATHVIQKDGSI-HOTGVXAUSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495591 459461892 /nfs/dbraw/zinc/46/18/92/459461892.db2.gz HHPATHVIQKDGSI-HOTGVXAUSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000497189484 459478818 /nfs/dbraw/zinc/47/88/18/459478818.db2.gz HHFVSGKCSLDWFM-JKSUJKDBSA-N 2 2 327.513 3.001 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000497189484 459478823 /nfs/dbraw/zinc/47/88/23/459478823.db2.gz HHFVSGKCSLDWFM-JKSUJKDBSA-N 2 2 327.513 3.001 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000583372241 459526915 /nfs/dbraw/zinc/52/69/15/459526915.db2.gz NNFQVNURELOSDN-GHTZIAJQSA-N 2 2 340.467 3.119 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000583372241 459526922 /nfs/dbraw/zinc/52/69/22/459526922.db2.gz NNFQVNURELOSDN-GHTZIAJQSA-N 2 2 340.467 3.119 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280741 459543945 /nfs/dbraw/zinc/54/39/45/459543945.db2.gz POQVLVSLYIWNGO-ICSRJNTNSA-N 2 2 347.934 3.429 20 0 EGADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280741 459543949 /nfs/dbraw/zinc/54/39/49/459543949.db2.gz POQVLVSLYIWNGO-ICSRJNTNSA-N 2 2 347.934 3.429 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000562579989 459592536 /nfs/dbraw/zinc/59/25/36/459592536.db2.gz JWLDXQDWIQLVMC-QAPCUYQASA-N 2 2 330.472 3.343 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000562579989 459592538 /nfs/dbraw/zinc/59/25/38/459592538.db2.gz JWLDXQDWIQLVMC-QAPCUYQASA-N 2 2 330.472 3.343 20 0 EGADLP O=C(NC1CC1)c1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000583806400 459599844 /nfs/dbraw/zinc/59/98/44/459599844.db2.gz BRIRKLSYKSZOEB-SFTDATJTSA-N 2 2 349.478 3.162 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)c1c[nH+]ccc1N ZINC000562960534 459681360 /nfs/dbraw/zinc/68/13/60/459681360.db2.gz OKHAZJKDWQUCEK-AWEZNQCLSA-N 2 2 326.444 3.451 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856664 459707875 /nfs/dbraw/zinc/70/78/75/459707875.db2.gz RBYFQOSITPKHHW-VQTJNVASSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856664 459707878 /nfs/dbraw/zinc/70/78/78/459707878.db2.gz RBYFQOSITPKHHW-VQTJNVASSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543856664 459707880 /nfs/dbraw/zinc/70/78/80/459707880.db2.gz RBYFQOSITPKHHW-VQTJNVASSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543856664 459707882 /nfs/dbraw/zinc/70/78/82/459707882.db2.gz RBYFQOSITPKHHW-VQTJNVASSA-N 2 2 346.515 3.418 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000501216475 459716674 /nfs/dbraw/zinc/71/66/74/459716674.db2.gz HBYJFLAGSDHFJJ-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000501216475 459716678 /nfs/dbraw/zinc/71/66/78/459716678.db2.gz HBYJFLAGSDHFJJ-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000573880623 459750113 /nfs/dbraw/zinc/75/01/13/459750113.db2.gz CNARKLXIDHCHQA-UHFFFAOYSA-N 2 2 325.884 3.310 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C)C(C)(C)C3)c2cc1C ZINC000544782996 459784276 /nfs/dbraw/zinc/78/42/76/459784276.db2.gz ZVZNTJBUJCOLHV-DLBZAZTESA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C)C(C)(C)C3)c2cc1C ZINC000544782996 459784279 /nfs/dbraw/zinc/78/42/79/459784279.db2.gz ZVZNTJBUJCOLHV-DLBZAZTESA-N 2 2 329.488 3.382 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)CC2)n1 ZINC000528011399 459795643 /nfs/dbraw/zinc/79/56/43/459795643.db2.gz LAPZQHUXHDJLFX-DQPZFDDXSA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)CC2)n1 ZINC000528011399 459795645 /nfs/dbraw/zinc/79/56/45/459795645.db2.gz LAPZQHUXHDJLFX-DQPZFDDXSA-N 2 2 332.492 3.265 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)CC3 ZINC000545189372 459807853 /nfs/dbraw/zinc/80/78/53/459807853.db2.gz TXOCHWHBJSPOMZ-MRXNPFEDSA-N 2 2 341.499 3.355 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412587 459860554 /nfs/dbraw/zinc/86/05/54/459860554.db2.gz XUCNAECXXMWGPW-CVEARBPZSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412587 459860562 /nfs/dbraw/zinc/86/05/62/459860562.db2.gz XUCNAECXXMWGPW-CVEARBPZSA-N 2 2 339.439 3.229 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415216 459862637 /nfs/dbraw/zinc/86/26/37/459862637.db2.gz YMAMOLXMRIACOZ-HXUWFJFHSA-N 3 2 338.499 3.396 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415216 459862644 /nfs/dbraw/zinc/86/26/44/459862644.db2.gz YMAMOLXMRIACOZ-HXUWFJFHSA-N 3 2 338.499 3.396 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000588690626 459971443 /nfs/dbraw/zinc/97/14/43/459971443.db2.gz GTGGFXTZNOSMBX-UZLBHIALSA-N 2 2 344.886 3.410 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000588690626 459971448 /nfs/dbraw/zinc/97/14/48/459971448.db2.gz GTGGFXTZNOSMBX-UZLBHIALSA-N 2 2 344.886 3.410 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000575998016 460049374 /nfs/dbraw/zinc/04/93/74/460049374.db2.gz FWEZTXRTPQVYFB-BZSNNMDCSA-N 2 2 344.503 3.184 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000575998016 460049384 /nfs/dbraw/zinc/04/93/84/460049384.db2.gz FWEZTXRTPQVYFB-BZSNNMDCSA-N 2 2 344.503 3.184 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050080 460058919 /nfs/dbraw/zinc/05/89/19/460058919.db2.gz YWQAQAXBSHONJN-SJORKVTESA-N 2 2 335.536 3.292 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050080 460058922 /nfs/dbraw/zinc/05/89/22/460058922.db2.gz YWQAQAXBSHONJN-SJORKVTESA-N 2 2 335.536 3.292 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000576356927 460125164 /nfs/dbraw/zinc/12/51/64/460125164.db2.gz JAQBXKAFERVHCR-LJQANCHMSA-N 2 2 337.471 3.467 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000576356927 460125167 /nfs/dbraw/zinc/12/51/67/460125167.db2.gz JAQBXKAFERVHCR-LJQANCHMSA-N 2 2 337.471 3.467 20 0 EGADLP c1cc2cc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)ccc2[nH]1 ZINC000576360503 460127270 /nfs/dbraw/zinc/12/72/70/460127270.db2.gz UCEZUSNAONLNIT-UHFFFAOYSA-N 2 2 335.451 3.290 20 0 EGADLP COC(=O)CC1CCC([NH2+]CCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000599021471 460130128 /nfs/dbraw/zinc/13/01/28/460130128.db2.gz ATWGKTBTRACNPF-UHFFFAOYSA-N 2 2 343.471 3.446 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000599041881 460136424 /nfs/dbraw/zinc/13/64/24/460136424.db2.gz CYPZKGGGPIJGEV-CLPROHDKSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000599041881 460136433 /nfs/dbraw/zinc/13/64/33/460136433.db2.gz CYPZKGGGPIJGEV-CLPROHDKSA-N 2 2 344.499 3.218 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)[C@@H]1CCC[NH2+]1 ZINC000576695454 460194778 /nfs/dbraw/zinc/19/47/78/460194778.db2.gz SLWGVWMHCHQUFJ-LIRRHRJNSA-N 2 2 341.430 3.308 20 0 EGADLP c1ccc([C@@H]2CC[C@@H](C[NH+]3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC000625544344 460202647 /nfs/dbraw/zinc/20/26/47/460202647.db2.gz OQHYUMZNJSSKHW-UYAOXDASSA-N 2 2 328.500 3.367 20 0 EGADLP c1ccc2cc(OCC[NH+]3CCC([NH+]4CCOCC4)CC3)ccc2c1 ZINC000625554957 460205758 /nfs/dbraw/zinc/20/57/58/460205758.db2.gz PPWUWNVHHRGXMM-UHFFFAOYSA-N 2 2 340.467 3.015 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811668 460217642 /nfs/dbraw/zinc/21/76/42/460217642.db2.gz KKPOUFHCUDQLCB-IYBDPMFKSA-N 3 2 349.485 3.361 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811668 460217646 /nfs/dbraw/zinc/21/76/46/460217646.db2.gz KKPOUFHCUDQLCB-IYBDPMFKSA-N 3 2 349.485 3.361 20 0 EGADLP CCOC(=O)c1nc(C[N@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000603109546 460244424 /nfs/dbraw/zinc/24/44/24/460244424.db2.gz DERUXIQXCMJVPY-UHFFFAOYSA-N 2 2 339.505 3.018 20 0 EGADLP CCOC(=O)c1nc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cs1 ZINC000603109546 460244428 /nfs/dbraw/zinc/24/44/28/460244428.db2.gz DERUXIQXCMJVPY-UHFFFAOYSA-N 2 2 339.505 3.018 20 0 EGADLP CC(C)(C)OC(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611183008 460303665 /nfs/dbraw/zinc/30/36/65/460303665.db2.gz IUCSXGBKXYAABO-KRWDZBQOSA-N 2 2 332.488 3.361 20 0 EGADLP CC(C)(C)OC(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611183008 460303669 /nfs/dbraw/zinc/30/36/69/460303669.db2.gz IUCSXGBKXYAABO-KRWDZBQOSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000615302814 460307344 /nfs/dbraw/zinc/30/73/44/460307344.db2.gz OQKYZJIATMALCB-WMLDXEAASA-N 2 2 325.412 3.039 20 0 EGADLP Fc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c2ncccc12 ZINC000623089161 460409206 /nfs/dbraw/zinc/40/92/06/460409206.db2.gz XMQUFPYGHVJCSF-UHFFFAOYSA-N 2 2 337.389 3.441 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000623957502 460795995 /nfs/dbraw/zinc/79/59/95/460795995.db2.gz LHSZOMVPTNVMDV-MAUKXSAKSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000623957502 460796001 /nfs/dbraw/zinc/79/60/01/460796001.db2.gz LHSZOMVPTNVMDV-MAUKXSAKSA-N 2 2 345.512 3.259 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561573 460808528 /nfs/dbraw/zinc/80/85/28/460808528.db2.gz JMKGSYMFPYBPIB-ZYHUDNBSSA-N 2 2 338.776 3.481 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561573 460808532 /nfs/dbraw/zinc/80/85/32/460808532.db2.gz JMKGSYMFPYBPIB-ZYHUDNBSSA-N 2 2 338.776 3.481 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635557012 460831024 /nfs/dbraw/zinc/83/10/24/460831024.db2.gz XYXGIISNTWNMAA-IBGZPJMESA-N 2 2 348.535 3.441 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635557012 460831032 /nfs/dbraw/zinc/83/10/32/460831032.db2.gz XYXGIISNTWNMAA-IBGZPJMESA-N 2 2 348.535 3.441 20 0 EGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)nc1 ZINC000624105242 460862785 /nfs/dbraw/zinc/86/27/85/460862785.db2.gz HQVLSVZPKODPJB-AZUAARDMSA-N 2 2 329.488 3.156 20 0 EGADLP CC(C)C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)n1cc[nH+]c1 ZINC000635642873 460868345 /nfs/dbraw/zinc/86/83/45/460868345.db2.gz YZRWKUWWCXARHG-LJQANCHMSA-N 2 2 346.519 3.384 20 0 EGADLP O=C(Nc1ccc(-c2cccc(-c3[nH]cc[nH+]3)c2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000629708444 460880578 /nfs/dbraw/zinc/88/05/78/460880578.db2.gz GNVRACXOTRDIMS-QGZVFWFLSA-N 2 2 347.422 3.077 20 0 EGADLP CCOc1cncc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000621339165 460995884 /nfs/dbraw/zinc/99/58/84/460995884.db2.gz XHCQOVOCUWOSCU-LJQANCHMSA-N 2 2 336.439 3.287 20 0 EGADLP CCOc1cncc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621369004 461011279 /nfs/dbraw/zinc/01/12/79/461011279.db2.gz CXRNEUNNFVGHMH-HXUWFJFHSA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621369004 461011283 /nfs/dbraw/zinc/01/12/83/461011283.db2.gz CXRNEUNNFVGHMH-HXUWFJFHSA-N 2 2 325.456 3.235 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628230613 461054950 /nfs/dbraw/zinc/05/49/50/461054950.db2.gz NCOBESFVRABMOH-MRXNPFEDSA-N 2 2 347.466 3.340 20 0 EGADLP CN(CC(C)(C)[NH3+])C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000659012768 461137804 /nfs/dbraw/zinc/13/78/04/461137804.db2.gz ZKRCPLGPQLIUOH-UHFFFAOYSA-N 2 2 341.459 3.087 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668154886 461139803 /nfs/dbraw/zinc/13/98/03/461139803.db2.gz ZHAQOVBSNVRPSS-INIZCTEOSA-N 2 2 329.448 3.029 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668154886 461139810 /nfs/dbraw/zinc/13/98/10/461139810.db2.gz ZHAQOVBSNVRPSS-INIZCTEOSA-N 2 2 329.448 3.029 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353478 461146725 /nfs/dbraw/zinc/14/67/25/461146725.db2.gz LNKWDTKNFRKLKX-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353478 461146733 /nfs/dbraw/zinc/14/67/33/461146733.db2.gz LNKWDTKNFRKLKX-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652353575 461148222 /nfs/dbraw/zinc/14/82/22/461148222.db2.gz RAQPUTLSTHHEJX-XHDPSFHLSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652353575 461148226 /nfs/dbraw/zinc/14/82/26/461148226.db2.gz RAQPUTLSTHHEJX-XHDPSFHLSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1CC[NH3+] ZINC000652355801 461149589 /nfs/dbraw/zinc/14/95/89/461149589.db2.gz HXWMVAUPCVJLTP-GUYCJALGSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1CC[NH3+] ZINC000652355801 461149593 /nfs/dbraw/zinc/14/95/93/461149593.db2.gz HXWMVAUPCVJLTP-GUYCJALGSA-N 2 2 334.414 3.100 20 0 EGADLP [NH3+]C[C@H]1CCc2ccccc2N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000662306073 461181642 /nfs/dbraw/zinc/18/16/42/461181642.db2.gz WXEIIOGJMFQEFA-LJQANCHMSA-N 2 2 332.451 3.212 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000668217493 461185370 /nfs/dbraw/zinc/18/53/70/461185370.db2.gz ILOUYSGRUURWPP-JRGCBEDISA-N 2 2 341.499 3.388 20 0 EGADLP CC(C)(C)c1cc[nH+]c(NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000641274505 461198053 /nfs/dbraw/zinc/19/80/53/461198053.db2.gz UUTDQFAQWPPZLN-UHFFFAOYSA-N 2 2 326.444 3.223 20 0 EGADLP COCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000649622885 461228188 /nfs/dbraw/zinc/22/81/88/461228188.db2.gz YJELHHWKLQZCHO-HZPDHXFCSA-N 2 2 330.394 3.467 20 0 EGADLP COCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000649622885 461228199 /nfs/dbraw/zinc/22/81/99/461228199.db2.gz YJELHHWKLQZCHO-HZPDHXFCSA-N 2 2 330.394 3.467 20 0 EGADLP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630641994 461235013 /nfs/dbraw/zinc/23/50/13/461235013.db2.gz KRFZFQKPVFICLO-UHFFFAOYSA-N 2 2 326.444 3.022 20 0 EGADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000662446855 461247263 /nfs/dbraw/zinc/24/72/63/461247263.db2.gz PZSHCPRRSZACKF-SJORKVTESA-N 2 2 347.503 3.029 20 0 EGADLP COc1cc(C[C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)ccn1 ZINC000638297367 461353209 /nfs/dbraw/zinc/35/32/09/461353209.db2.gz CNSQGIQVHPEHHS-HNNXBMFYSA-N 2 2 338.455 3.359 20 0 EGADLP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655688256 461363670 /nfs/dbraw/zinc/36/36/70/461363670.db2.gz STKGKFIXASKTIF-PBHICJAKSA-N 2 2 336.476 3.206 20 0 EGADLP Cc1cc(CNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000638354393 461382011 /nfs/dbraw/zinc/38/20/11/461382011.db2.gz LKFJJWVGLMOKNC-OAHLLOKOSA-N 2 2 337.345 3.033 20 0 EGADLP Cc1cnc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)s1 ZINC000655720503 461388604 /nfs/dbraw/zinc/38/86/04/461388604.db2.gz YFOZHNWFWIKWLW-SJORKVTESA-N 2 2 335.517 3.136 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000641823086 461389657 /nfs/dbraw/zinc/38/96/57/461389657.db2.gz QDMPFGSTNITNME-CMPLNLGQSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000641823086 461389662 /nfs/dbraw/zinc/38/96/62/461389662.db2.gz QDMPFGSTNITNME-CMPLNLGQSA-N 2 2 329.391 3.255 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1C(F)(F)F ZINC000668738417 461406979 /nfs/dbraw/zinc/40/69/79/461406979.db2.gz CKIDRCIRPFSRII-MRXNPFEDSA-N 2 2 342.405 3.045 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1C(F)(F)F ZINC000668738417 461406985 /nfs/dbraw/zinc/40/69/85/461406985.db2.gz CKIDRCIRPFSRII-MRXNPFEDSA-N 2 2 342.405 3.045 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)C1 ZINC000668740300 461410448 /nfs/dbraw/zinc/41/04/48/461410448.db2.gz SRSAYGXVTIACAC-OAQYLSRUSA-N 2 2 328.500 3.375 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)C1 ZINC000668740300 461410455 /nfs/dbraw/zinc/41/04/55/461410455.db2.gz SRSAYGXVTIACAC-OAQYLSRUSA-N 2 2 328.500 3.375 20 0 EGADLP Clc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655764492 461430549 /nfs/dbraw/zinc/43/05/49/461430549.db2.gz IXWDIZDIMXJDII-SNRMKQJTSA-N 2 2 334.891 3.429 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000638522214 461467264 /nfs/dbraw/zinc/46/72/64/461467264.db2.gz YIRKXWHOMCCEBW-GOSISDBHSA-N 2 2 335.451 3.482 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000638522214 461467272 /nfs/dbraw/zinc/46/72/72/461467272.db2.gz YIRKXWHOMCCEBW-GOSISDBHSA-N 2 2 335.451 3.482 20 0 EGADLP CC[C@H](C)c1ccc([C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061651 461481229 /nfs/dbraw/zinc/48/12/29/461481229.db2.gz XQRSXSCLTMZPTD-KFKAGJAMSA-N 2 2 333.520 3.292 20 0 EGADLP CCCCc1oc2ccccc2c1CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653061184 461481662 /nfs/dbraw/zinc/48/16/62/461481662.db2.gz DYQYSNAYZYLSLL-QGZVFWFLSA-N 2 2 345.487 3.013 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1Br ZINC000631034725 461487435 /nfs/dbraw/zinc/48/74/35/461487435.db2.gz AJDFCEYGNQPAHT-CYBMUJFWSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1Br ZINC000631034725 461487440 /nfs/dbraw/zinc/48/74/40/461487440.db2.gz AJDFCEYGNQPAHT-CYBMUJFWSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@H](Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1)c1ccccc1 ZINC000653076322 461489368 /nfs/dbraw/zinc/48/93/68/461489368.db2.gz RGCDJXPIXJFYCV-KXBFYZLASA-N 2 2 340.471 3.077 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848377 461494868 /nfs/dbraw/zinc/49/48/68/461494868.db2.gz IIQYDJAAEHQRNK-SNRMKQJTSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848377 461494877 /nfs/dbraw/zinc/49/48/77/461494877.db2.gz IIQYDJAAEHQRNK-SNRMKQJTSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849120 461495551 /nfs/dbraw/zinc/49/55/51/461495551.db2.gz NDEQUEWMGOJRPX-XYJFISCASA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849120 461495564 /nfs/dbraw/zinc/49/55/64/461495564.db2.gz NDEQUEWMGOJRPX-XYJFISCASA-N 2 2 345.487 3.019 20 0 EGADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@](C)(CC)OC)CCCC2)no1 ZINC000638603543 461501606 /nfs/dbraw/zinc/50/16/06/461501606.db2.gz DVAHSHMRHHJWIN-KRWDZBQOSA-N 2 2 338.496 3.085 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631069914 461521156 /nfs/dbraw/zinc/52/11/56/461521156.db2.gz YFNCBXMYOHDKOR-SFHVURJKSA-N 2 2 331.504 3.128 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631069914 461521165 /nfs/dbraw/zinc/52/11/65/461521165.db2.gz YFNCBXMYOHDKOR-SFHVURJKSA-N 2 2 331.504 3.128 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345011 461573314 /nfs/dbraw/zinc/57/33/14/461573314.db2.gz FEUPWRFEQDRLBP-HNNXBMFYSA-N 2 2 346.906 3.438 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345011 461573320 /nfs/dbraw/zinc/57/33/20/461573320.db2.gz FEUPWRFEQDRLBP-HNNXBMFYSA-N 2 2 346.906 3.438 20 0 EGADLP CCCn1nc(C)c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1C ZINC000647262538 461597332 /nfs/dbraw/zinc/59/73/32/461597332.db2.gz CGSDKXRUTIAUKX-UHFFFAOYSA-N 2 2 325.460 3.198 20 0 EGADLP Clc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000643064077 461600603 /nfs/dbraw/zinc/60/06/03/461600603.db2.gz FHYMEQCIZJALAB-GOEBONIOSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000643064077 461600606 /nfs/dbraw/zinc/60/06/06/461600606.db2.gz FHYMEQCIZJALAB-GOEBONIOSA-N 2 2 346.862 3.354 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069074 461602628 /nfs/dbraw/zinc/60/26/28/461602628.db2.gz OAXFQXSEVJPCOX-ABAIWWIYSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069074 461602633 /nfs/dbraw/zinc/60/26/33/461602633.db2.gz OAXFQXSEVJPCOX-ABAIWWIYSA-N 2 2 342.270 3.006 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000643235693 461642471 /nfs/dbraw/zinc/64/24/71/461642471.db2.gz AGMQPFOJFUYSQR-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000643235693 461642477 /nfs/dbraw/zinc/64/24/77/461642477.db2.gz AGMQPFOJFUYSQR-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP Cc1nc(N2CCC[N@@H+](C(C)(C)C)CC2)c(Br)c(C)[nH+]1 ZINC000663470865 461660919 /nfs/dbraw/zinc/66/09/19/461660919.db2.gz KKJRQEZHYUGINP-UHFFFAOYSA-N 2 2 341.297 3.167 20 0 EGADLP Cc1nc(N2CCC[N@H+](C(C)(C)C)CC2)c(Br)c(C)[nH+]1 ZINC000663470865 461660924 /nfs/dbraw/zinc/66/09/24/461660924.db2.gz KKJRQEZHYUGINP-UHFFFAOYSA-N 2 2 341.297 3.167 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)cc1 ZINC000631258859 461678133 /nfs/dbraw/zinc/67/81/33/461678133.db2.gz CVHSDAMUIRRJHS-HXUWFJFHSA-N 2 2 347.466 3.144 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)cc1 ZINC000631258859 461678149 /nfs/dbraw/zinc/67/81/49/461678149.db2.gz CVHSDAMUIRRJHS-HXUWFJFHSA-N 2 2 347.466 3.144 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000663510411 461679832 /nfs/dbraw/zinc/67/98/32/461679832.db2.gz PIXSYTWUBJEXAQ-JOYOIKCWSA-N 2 2 344.299 3.256 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656258540 461680665 /nfs/dbraw/zinc/68/06/65/461680665.db2.gz VIVDLCYUOZGLGI-LJQANCHMSA-N 2 2 326.488 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656258540 461680673 /nfs/dbraw/zinc/68/06/73/461680673.db2.gz VIVDLCYUOZGLGI-LJQANCHMSA-N 2 2 326.488 3.405 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076815 461710225 /nfs/dbraw/zinc/71/02/25/461710225.db2.gz RHSVBOCQAJTBPM-PBHICJAKSA-N 2 2 339.487 3.485 20 0 EGADLP C[NH+](C)CC[C@@H](NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C(C)(C)C ZINC000631346553 461723483 /nfs/dbraw/zinc/72/34/83/461723483.db2.gz NBZZPXABKRHKLO-QGZVFWFLSA-N 2 2 328.460 3.173 20 0 EGADLP Cc1ncc([C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)n1 ZINC000639109449 461733280 /nfs/dbraw/zinc/73/32/80/461733280.db2.gz AMQZEEKTYCIMLQ-OAHLLOKOSA-N 2 2 326.444 3.401 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000643456741 461733409 /nfs/dbraw/zinc/73/34/09/461733409.db2.gz UBIAHHUUOITFQS-OZOXKJRCSA-N 2 2 340.467 3.141 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]1 ZINC000643462211 461734309 /nfs/dbraw/zinc/73/43/09/461734309.db2.gz GRHRATQVMNAVGD-UXHICEINSA-N 2 2 325.456 3.281 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000643460890 461734860 /nfs/dbraw/zinc/73/48/60/461734860.db2.gz BQHNYTJXUXIZAJ-KUHUBIRLSA-N 2 2 341.430 3.166 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467623 461736818 /nfs/dbraw/zinc/73/68/18/461736818.db2.gz DMUSXLYHXJOBRL-RLLQIKCJSA-N 2 2 341.499 3.003 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506568 461738384 /nfs/dbraw/zinc/73/83/84/461738384.db2.gz SPPBOKAHJQZFHC-VLIAUNLRSA-N 2 2 346.421 3.145 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506568 461738387 /nfs/dbraw/zinc/73/83/87/461738387.db2.gz SPPBOKAHJQZFHC-VLIAUNLRSA-N 2 2 346.421 3.145 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CC[C@H]1[NH3+] ZINC000647499099 461739063 /nfs/dbraw/zinc/73/90/63/461739063.db2.gz ZKFLKVBAHKANPJ-JOYOIKCWSA-N 2 2 333.295 3.078 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CC[C@H]1[NH3+] ZINC000647499099 461739074 /nfs/dbraw/zinc/73/90/74/461739074.db2.gz ZKFLKVBAHKANPJ-JOYOIKCWSA-N 2 2 333.295 3.078 20 0 EGADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506566 461739163 /nfs/dbraw/zinc/73/91/63/461739163.db2.gz SPPBOKAHJQZFHC-JLTOFOAXSA-N 2 2 346.421 3.145 20 0 EGADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506566 461739167 /nfs/dbraw/zinc/73/91/67/461739167.db2.gz SPPBOKAHJQZFHC-JLTOFOAXSA-N 2 2 346.421 3.145 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506871 461740081 /nfs/dbraw/zinc/74/00/81/461740081.db2.gz DTDQUHCVOSHFBT-CJNGLKHVSA-N 2 2 330.394 3.076 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506871 461740086 /nfs/dbraw/zinc/74/00/86/461740086.db2.gz DTDQUHCVOSHFBT-CJNGLKHVSA-N 2 2 330.394 3.076 20 0 EGADLP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643497070 461746637 /nfs/dbraw/zinc/74/66/37/461746637.db2.gz UDNXWNMXQYNPCE-JYJNAYRXSA-N 2 2 339.277 3.011 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502065 461748809 /nfs/dbraw/zinc/74/88/09/461748809.db2.gz WZCCXALWLJQMCG-UKRRQHHQSA-N 2 2 339.277 3.395 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000643522384 461752237 /nfs/dbraw/zinc/75/22/37/461752237.db2.gz MJBPWPYDOWOPQQ-WFASDCNBSA-N 2 2 333.867 3.022 20 0 EGADLP COc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1F ZINC000669679546 461763900 /nfs/dbraw/zinc/76/39/00/461763900.db2.gz JLMREDJDXMOEBR-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000639169060 461779697 /nfs/dbraw/zinc/77/96/97/461779697.db2.gz AUQCZECFJIJNMP-GOSISDBHSA-N 2 2 330.451 3.074 20 0 EGADLP c1c[nH+]c(N2CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)[nH]1 ZINC000653643927 461779750 /nfs/dbraw/zinc/77/97/50/461779750.db2.gz BPYAHXJLSPSTCA-UHFFFAOYSA-N 2 2 348.450 3.311 20 0 EGADLP CO[C@H](C[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@H]1CCOC1 ZINC000639182400 461787499 /nfs/dbraw/zinc/78/74/99/461787499.db2.gz FSEPKNCJZUKRBH-PWRODBHTSA-N 2 2 348.531 3.129 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770376 461795793 /nfs/dbraw/zinc/79/57/93/461795793.db2.gz XDYJWCFLVXGOJH-OLZOCXBDSA-N 2 2 343.393 3.154 20 0 EGADLP COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc(CO)cc(C)[nH+]2)cc1 ZINC000663783614 461804054 /nfs/dbraw/zinc/80/40/54/461804054.db2.gz ZTSKDLPZXGKLSU-IBGZPJMESA-N 2 2 341.455 3.140 20 0 EGADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000639215720 461809052 /nfs/dbraw/zinc/80/90/52/461809052.db2.gz FYISNFDQRZNMPZ-KBPBESRZSA-N 2 2 346.862 3.063 20 0 EGADLP CC[C@@H](OCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000653690389 461809100 /nfs/dbraw/zinc/80/91/00/461809100.db2.gz SYSHUGOEZIJILK-GHTZIAJQSA-N 2 2 346.515 3.339 20 0 EGADLP CC[C@@H](OCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000653690389 461809107 /nfs/dbraw/zinc/80/91/07/461809107.db2.gz SYSHUGOEZIJILK-GHTZIAJQSA-N 2 2 346.515 3.339 20 0 EGADLP CO[C@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000639225993 461813443 /nfs/dbraw/zinc/81/34/43/461813443.db2.gz BIPVHWDADYVPPV-HXUWFJFHSA-N 2 2 346.515 3.072 20 0 EGADLP CO[C@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000639225993 461813451 /nfs/dbraw/zinc/81/34/51/461813451.db2.gz BIPVHWDADYVPPV-HXUWFJFHSA-N 2 2 346.515 3.072 20 0 EGADLP CC[C@](C)(C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)OC ZINC000639230894 461817474 /nfs/dbraw/zinc/81/74/74/461817474.db2.gz GWKTWTPUKMGDNQ-HXUWFJFHSA-N 2 2 347.503 3.014 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)c[nH+]1 ZINC000656783604 461892344 /nfs/dbraw/zinc/89/23/44/461892344.db2.gz RARIWTMNPHLHBT-INIZCTEOSA-N 3 2 330.501 3.145 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)c[nH+]1 ZINC000656783604 461892354 /nfs/dbraw/zinc/89/23/54/461892354.db2.gz RARIWTMNPHLHBT-INIZCTEOSA-N 3 2 330.501 3.145 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647937968 461895518 /nfs/dbraw/zinc/89/55/18/461895518.db2.gz FWRAYGPNODKRRZ-SCRDCRAPSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647937968 461895525 /nfs/dbraw/zinc/89/55/25/461895525.db2.gz FWRAYGPNODKRRZ-SCRDCRAPSA-N 2 2 343.393 3.092 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000639376622 461895591 /nfs/dbraw/zinc/89/55/91/461895591.db2.gz RPUMTVXQBVPERA-UHFFFAOYSA-N 2 2 341.503 3.187 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939072 461896765 /nfs/dbraw/zinc/89/67/65/461896765.db2.gz ZXAAYKUWLIAWIC-RZQQEMMASA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939072 461896771 /nfs/dbraw/zinc/89/67/71/461896771.db2.gz ZXAAYKUWLIAWIC-RZQQEMMASA-N 2 2 339.483 3.076 20 0 EGADLP FC(F)(F)c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656787033 461897932 /nfs/dbraw/zinc/89/79/32/461897932.db2.gz RLGTZZQTPVMLKL-GFCCVEGCSA-N 2 2 333.423 3.374 20 0 EGADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000656786395 461898226 /nfs/dbraw/zinc/89/82/26/461898226.db2.gz ZHBCQSIGBCKIDN-UHFFFAOYSA-N 2 2 327.472 3.447 20 0 EGADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])cc(C)c1OCc1ccccn1 ZINC000656786395 461898233 /nfs/dbraw/zinc/89/82/33/461898233.db2.gz ZHBCQSIGBCKIDN-UHFFFAOYSA-N 2 2 327.472 3.447 20 0 EGADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2([NH3+])CCCC2)c1 ZINC000656789562 461899678 /nfs/dbraw/zinc/89/96/78/461899678.db2.gz QOXVOUQJUNHVCT-UHFFFAOYSA-N 2 2 341.455 3.030 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000666997134 461904040 /nfs/dbraw/zinc/90/40/40/461904040.db2.gz YQMCNMJBYWKBHQ-CYBMUJFWSA-N 2 2 327.241 3.353 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657161 461906869 /nfs/dbraw/zinc/90/68/69/461906869.db2.gz WFAKSUDLGWZZGM-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657161 461906874 /nfs/dbraw/zinc/90/68/74/461906874.db2.gz WFAKSUDLGWZZGM-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657161 461906880 /nfs/dbraw/zinc/90/68/80/461906880.db2.gz WFAKSUDLGWZZGM-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657161 461906887 /nfs/dbraw/zinc/90/68/87/461906887.db2.gz WFAKSUDLGWZZGM-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657233 461908055 /nfs/dbraw/zinc/90/80/55/461908055.db2.gz WTHYTVOQWAFOAM-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657233 461908062 /nfs/dbraw/zinc/90/80/62/461908062.db2.gz WTHYTVOQWAFOAM-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657233 461908069 /nfs/dbraw/zinc/90/80/69/461908069.db2.gz WTHYTVOQWAFOAM-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657233 461908074 /nfs/dbraw/zinc/90/80/74/461908074.db2.gz WTHYTVOQWAFOAM-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052282 461930012 /nfs/dbraw/zinc/93/00/12/461930012.db2.gz FLJGDKGTXHZZIH-AYOQOUSVSA-N 2 2 326.415 3.119 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052282 461930018 /nfs/dbraw/zinc/93/00/18/461930018.db2.gz FLJGDKGTXHZZIH-AYOQOUSVSA-N 2 2 326.415 3.119 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000650748415 461931947 /nfs/dbraw/zinc/93/19/47/461931947.db2.gz UCXIQPAZSDARDD-WMQCIHAUSA-N 2 2 337.467 3.115 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000648006358 461934858 /nfs/dbraw/zinc/93/48/58/461934858.db2.gz ZXPDEPYBKQRYJB-INIZCTEOSA-N 2 2 325.416 3.022 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000648006358 461934865 /nfs/dbraw/zinc/93/48/65/461934865.db2.gz ZXPDEPYBKQRYJB-INIZCTEOSA-N 2 2 325.416 3.022 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)[NH+](C)C)cc1 ZINC000644529866 461971869 /nfs/dbraw/zinc/97/18/69/461971869.db2.gz GEGZJDCSZSQNND-LJQANCHMSA-N 2 2 343.446 3.355 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)[N@H+](C)Cc1ccccc1 ZINC000644560787 461986576 /nfs/dbraw/zinc/98/65/76/461986576.db2.gz RODQOEQDFFCONT-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccccc1 ZINC000644560787 461986584 /nfs/dbraw/zinc/98/65/84/461986584.db2.gz RODQOEQDFFCONT-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@](O)(C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)C(F)(F)F ZINC000660857800 461999133 /nfs/dbraw/zinc/99/91/33/461999133.db2.gz WBGXYLGGUQRMJT-INIZCTEOSA-N 2 2 341.377 3.131 20 0 EGADLP Clc1ccccc1[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)N1CCCC1 ZINC000657290535 462019378 /nfs/dbraw/zinc/01/93/78/462019378.db2.gz RCBMOTYZSKHHKF-GOSISDBHSA-N 2 2 344.890 3.409 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]2Cn2cc(C3CC3)nn2)c(C)[nH+]1 ZINC000639635273 462031257 /nfs/dbraw/zinc/03/12/57/462031257.db2.gz ZOWFZRDQZUHNEO-KRWDZBQOSA-N 2 2 325.460 3.140 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]2Cn2cc(C3CC3)nn2)c(C)[nH+]1 ZINC000639635273 462031265 /nfs/dbraw/zinc/03/12/65/462031265.db2.gz ZOWFZRDQZUHNEO-KRWDZBQOSA-N 2 2 325.460 3.140 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657311651 462035810 /nfs/dbraw/zinc/03/58/10/462035810.db2.gz QKEFMDSQNBJHRL-QGZVFWFLSA-N 3 2 338.499 3.351 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657311651 462035812 /nfs/dbraw/zinc/03/58/12/462035812.db2.gz QKEFMDSQNBJHRL-QGZVFWFLSA-N 3 2 338.499 3.351 20 0 EGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000657313713 462037822 /nfs/dbraw/zinc/03/78/22/462037822.db2.gz WCTBAESRFNQNGW-IYBDPMFKSA-N 2 2 326.488 3.486 20 0 EGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000657313713 462037829 /nfs/dbraw/zinc/03/78/29/462037829.db2.gz WCTBAESRFNQNGW-IYBDPMFKSA-N 2 2 326.488 3.486 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(F)c1F ZINC000657314400 462039758 /nfs/dbraw/zinc/03/97/58/462039758.db2.gz UIBMCJVGRMDISJ-UHFFFAOYSA-N 2 2 335.373 3.253 20 0 EGADLP Cc1[nH+]cc(C[N@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1C ZINC000667477930 462102632 /nfs/dbraw/zinc/10/26/32/462102632.db2.gz UWLUKBDPUVJJFF-UHFFFAOYSA-N 2 2 332.423 3.107 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)n1C ZINC000667477930 462102635 /nfs/dbraw/zinc/10/26/35/462102635.db2.gz UWLUKBDPUVJJFF-UHFFFAOYSA-N 2 2 332.423 3.107 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1C ZINC000644900714 462124252 /nfs/dbraw/zinc/12/42/52/462124252.db2.gz DFRDNJCCCURECS-CQSZACIVSA-N 2 2 339.443 3.007 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1C ZINC000644900714 462124255 /nfs/dbraw/zinc/12/42/55/462124255.db2.gz DFRDNJCCCURECS-CQSZACIVSA-N 2 2 339.443 3.007 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667533000 462130216 /nfs/dbraw/zinc/13/02/16/462130216.db2.gz BSVWBMMACCNCEJ-RDJZCZTQSA-N 2 2 329.444 3.203 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)CCCO1 ZINC000657449401 462131557 /nfs/dbraw/zinc/13/15/57/462131557.db2.gz XCZYYGWZOGLYJN-CYBMUJFWSA-N 2 2 346.393 3.018 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)CCCO1 ZINC000657449401 462131561 /nfs/dbraw/zinc/13/15/61/462131561.db2.gz XCZYYGWZOGLYJN-CYBMUJFWSA-N 2 2 346.393 3.018 20 0 EGADLP CC(C)COc1cccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000639831737 462134766 /nfs/dbraw/zinc/13/47/66/462134766.db2.gz XDNVPQOGEZMPIJ-UHFFFAOYSA-N 2 2 332.488 3.018 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000667564372 462145265 /nfs/dbraw/zinc/14/52/65/462145265.db2.gz JYZUMBOSVASQSK-HNNXBMFYSA-N 2 2 329.444 3.203 20 0 EGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000667567017 462147100 /nfs/dbraw/zinc/14/71/00/462147100.db2.gz NNDYCFQEVUKTRO-YLJYHZDGSA-N 2 2 325.456 3.429 20 0 EGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000667567017 462147102 /nfs/dbraw/zinc/14/71/02/462147102.db2.gz NNDYCFQEVUKTRO-YLJYHZDGSA-N 2 2 325.456 3.429 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657477608 462147649 /nfs/dbraw/zinc/14/76/49/462147649.db2.gz XMSSFTOYUMRRAI-UHFFFAOYSA-N 2 2 341.846 3.422 20 0 EGADLP COc1cc(C[NH2+]CC[NH+]2CCC(OC)CC2)cc2ccccc21 ZINC000648500324 462148560 /nfs/dbraw/zinc/14/85/60/462148560.db2.gz WPFDJBPMQXJKKI-UHFFFAOYSA-N 2 2 328.456 3.049 20 0 EGADLP Cc1[nH+]c2cc(NCc3[nH+]ccn3C(C)C)ccc2n1[C@H](C)CO ZINC000657489450 462153516 /nfs/dbraw/zinc/15/35/16/462153516.db2.gz SQQUXKCCMLDMIF-CYBMUJFWSA-N 2 2 327.432 3.288 20 0 EGADLP CO[C@@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)COCc1ccccc1 ZINC000657591936 462194231 /nfs/dbraw/zinc/19/42/31/462194231.db2.gz OLFAWQRJPKOSQR-FQEVSTJZSA-N 2 2 339.439 3.046 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000639987626 462206971 /nfs/dbraw/zinc/20/69/71/462206971.db2.gz HBOPXFYWYOCBIO-UHFFFAOYSA-N 2 2 343.515 3.229 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667700327 462221015 /nfs/dbraw/zinc/22/10/15/462221015.db2.gz YOLYWEUXXXYIEF-FUHIMQAGSA-N 2 2 343.471 3.380 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667700327 462221019 /nfs/dbraw/zinc/22/10/19/462221019.db2.gz YOLYWEUXXXYIEF-FUHIMQAGSA-N 2 2 343.471 3.380 20 0 EGADLP CCC(=O)N1CCC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000648725737 462247383 /nfs/dbraw/zinc/24/73/83/462247383.db2.gz WZSUTWQFMWKVEL-UHFFFAOYSA-N 2 2 343.515 3.032 20 0 EGADLP CCC(=O)N1CCC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000648725737 462247389 /nfs/dbraw/zinc/24/73/89/462247389.db2.gz WZSUTWQFMWKVEL-UHFFFAOYSA-N 2 2 343.515 3.032 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1)CC1CC1 ZINC000667758231 462248604 /nfs/dbraw/zinc/24/86/04/462248604.db2.gz ZOLSPBMJCLPASO-UHFFFAOYSA-N 3 2 330.520 3.163 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750140 462249791 /nfs/dbraw/zinc/24/97/91/462249791.db2.gz BAHKAVXYGUMGGB-MRXNPFEDSA-N 2 2 328.456 3.338 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648779966 462275117 /nfs/dbraw/zinc/27/51/17/462275117.db2.gz OUQZAXVLNZWXBC-QUCCMNQESA-N 2 2 349.563 3.386 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648779966 462275121 /nfs/dbraw/zinc/27/51/21/462275121.db2.gz OUQZAXVLNZWXBC-QUCCMNQESA-N 2 2 349.563 3.386 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657823721 462284597 /nfs/dbraw/zinc/28/45/97/462284597.db2.gz AKAZRUKCUJAQQO-GDBMZVCRSA-N 2 2 333.501 3.304 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657823721 462284602 /nfs/dbraw/zinc/28/46/02/462284602.db2.gz AKAZRUKCUJAQQO-GDBMZVCRSA-N 2 2 333.501 3.304 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657829792 462286839 /nfs/dbraw/zinc/28/68/39/462286839.db2.gz IIFJMQNKUVFWCN-HZSPNIEDSA-N 2 2 327.419 3.169 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657829792 462286845 /nfs/dbraw/zinc/28/68/45/462286845.db2.gz IIFJMQNKUVFWCN-HZSPNIEDSA-N 2 2 327.419 3.169 20 0 EGADLP CC[NH+](CC)CCN(Cc1[nH+]ccn1C)Cc1ccc(Cl)cc1 ZINC000661575224 462316416 /nfs/dbraw/zinc/31/64/16/462316416.db2.gz FIASMUVTQMYFRJ-UHFFFAOYSA-N 2 2 334.895 3.418 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000654707183 462344245 /nfs/dbraw/zinc/34/42/45/462344245.db2.gz WBVWUDKKIGYBQT-SJORKVTESA-N 2 2 346.862 3.003 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000651816599 462346375 /nfs/dbraw/zinc/34/63/75/462346375.db2.gz AKVBPVSJRRSJBI-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000651816599 462346383 /nfs/dbraw/zinc/34/63/83/462346383.db2.gz AKVBPVSJRRSJBI-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000651816599 462346392 /nfs/dbraw/zinc/34/63/92/462346392.db2.gz AKVBPVSJRRSJBI-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000651816599 462346400 /nfs/dbraw/zinc/34/64/00/462346400.db2.gz AKVBPVSJRRSJBI-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644450 462346910 /nfs/dbraw/zinc/34/69/10/462346910.db2.gz SWOIKIHSYXGIJP-CQSZACIVSA-N 2 2 328.243 3.164 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644450 462346915 /nfs/dbraw/zinc/34/69/15/462346915.db2.gz SWOIKIHSYXGIJP-CQSZACIVSA-N 2 2 328.243 3.164 20 0 EGADLP c1cn(Cc2ccc(-c3ccc(CC[NH+]4CCOCC4)cc3)cc2)c[nH+]1 ZINC000665212396 462355792 /nfs/dbraw/zinc/35/57/92/462355792.db2.gz YSBWAYAIEPWLON-UHFFFAOYSA-N 2 2 347.462 3.473 20 0 EGADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000665234280 462363749 /nfs/dbraw/zinc/36/37/49/462363749.db2.gz AAGVWDMUVJKWEM-GJZGRUSLSA-N 2 2 336.361 3.078 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(C)n1 ZINC000665254630 462370177 /nfs/dbraw/zinc/37/01/77/462370177.db2.gz VTBGTRZLZMXPSV-OMWUSAIZSA-N 2 2 328.435 3.029 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1O ZINC000665254325 462370391 /nfs/dbraw/zinc/37/03/91/462370391.db2.gz NPVMUGJWKFUQEQ-MORSLUCNSA-N 2 2 344.430 3.336 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093712 462379940 /nfs/dbraw/zinc/37/99/40/462379940.db2.gz WAUCRJCWBLRMPX-DLBZAZTESA-N 2 2 331.504 3.483 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093712 462379945 /nfs/dbraw/zinc/37/99/45/462379945.db2.gz WAUCRJCWBLRMPX-DLBZAZTESA-N 2 2 331.504 3.483 20 0 EGADLP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1c[nH+]c2n1CCC2 ZINC000668042774 462386135 /nfs/dbraw/zinc/38/61/35/462386135.db2.gz AQKHUBDDJDMDOC-UHFFFAOYSA-N 2 2 339.361 3.359 20 0 EGADLP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1c[nH+]c2n1CCC2 ZINC000668042774 462386139 /nfs/dbraw/zinc/38/61/39/462386139.db2.gz AQKHUBDDJDMDOC-UHFFFAOYSA-N 2 2 339.361 3.359 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000665296750 462390119 /nfs/dbraw/zinc/39/01/19/462390119.db2.gz XKPQZYHJUGOOKP-DOMZBBRYSA-N 2 2 331.485 3.394 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295801 462461460 /nfs/dbraw/zinc/46/14/60/462461460.db2.gz OOWFRUCZLSRYTN-OXQOHEQNSA-N 2 2 344.499 3.261 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000658294808 462461789 /nfs/dbraw/zinc/46/17/89/462461789.db2.gz PLBFJVMFHRBIFT-CZUORRHYSA-N 2 2 338.492 3.452 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCS2 ZINC000658296625 462462699 /nfs/dbraw/zinc/46/26/99/462462699.db2.gz UNRSBZQKOYHYNT-QAPCUYQASA-N 2 2 348.512 3.075 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCC1 ZINC000658313779 462473960 /nfs/dbraw/zinc/47/39/60/462473960.db2.gz FSYZMDCAKFIYMI-FFZOFVMBSA-N 2 2 331.504 3.087 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCC1 ZINC000658313779 462473965 /nfs/dbraw/zinc/47/39/65/462473965.db2.gz FSYZMDCAKFIYMI-FFZOFVMBSA-N 2 2 331.504 3.087 20 0 EGADLP C[NH+]1CCC(n2ccc(NCc3cc(-n4cc[nH+]c4)cs3)n2)CC1 ZINC000517805249 468098624 /nfs/dbraw/zinc/09/86/24/468098624.db2.gz VOQRHYJKAYAEPR-UHFFFAOYSA-N 2 2 342.472 3.009 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000191499684 528864741 /nfs/dbraw/zinc/86/47/41/528864741.db2.gz DXWQCWQJTXFQIM-SFHVURJKSA-N 2 2 329.444 3.072 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1 ZINC000191499684 528864747 /nfs/dbraw/zinc/86/47/47/528864747.db2.gz DXWQCWQJTXFQIM-SFHVURJKSA-N 2 2 329.444 3.072 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353334401 535591829 /nfs/dbraw/zinc/59/18/29/535591829.db2.gz YQTAZMHDWJEDBA-WBVHZDCISA-N 2 2 343.475 3.356 20 0 EGADLP COC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)C ZINC000361711900 536451326 /nfs/dbraw/zinc/45/13/26/536451326.db2.gz MZCRVCDGJDVYJM-UHFFFAOYSA-N 2 2 329.444 3.202 20 0 EGADLP COC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)C ZINC000361711900 536451329 /nfs/dbraw/zinc/45/13/29/536451329.db2.gz MZCRVCDGJDVYJM-UHFFFAOYSA-N 2 2 329.444 3.202 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246967166 536669936 /nfs/dbraw/zinc/66/99/36/536669936.db2.gz VFKANLOSVYHDOS-HNAYVOBHSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246967166 536669945 /nfs/dbraw/zinc/66/99/45/536669945.db2.gz VFKANLOSVYHDOS-HNAYVOBHSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246967166 536669950 /nfs/dbraw/zinc/66/99/50/536669950.db2.gz VFKANLOSVYHDOS-HNAYVOBHSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246967166 536669957 /nfs/dbraw/zinc/66/99/57/536669957.db2.gz VFKANLOSVYHDOS-HNAYVOBHSA-N 2 2 346.446 3.061 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccn3CCC(C)C)CC2)c1 ZINC000353336495 537117390 /nfs/dbraw/zinc/11/73/90/537117390.db2.gz VBFZACPGLKBDAY-UHFFFAOYSA-N 2 2 342.487 3.260 20 0 EGADLP CCN(CC)C(=O)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169434 546653725 /nfs/dbraw/zinc/65/37/25/546653725.db2.gz WTNIEAVKRBVNKZ-LJQANCHMSA-N 2 2 345.531 3.278 20 0 EGADLP CCN(CC)C(=O)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169434 546653730 /nfs/dbraw/zinc/65/37/30/546653730.db2.gz WTNIEAVKRBVNKZ-LJQANCHMSA-N 2 2 345.531 3.278 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)[nH]1 ZINC000092073669 546669863 /nfs/dbraw/zinc/66/98/63/546669863.db2.gz OUBQHRLCDKCFSE-INIZCTEOSA-N 2 2 335.411 3.372 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)[nH]1 ZINC000092073669 546669869 /nfs/dbraw/zinc/66/98/69/546669869.db2.gz OUBQHRLCDKCFSE-INIZCTEOSA-N 2 2 335.411 3.372 20 0 EGADLP C[C@H](CC[N@@H+]1CCOC2(CCCC2)C1)[NH+]1CCOC2(CCCC2)C1 ZINC000155090963 546899518 /nfs/dbraw/zinc/89/95/18/546899518.db2.gz WTZNTIJHBCFABH-GOSISDBHSA-N 2 2 336.520 3.055 20 0 EGADLP C[C@H](CC[N@H+]1CCOC2(CCCC2)C1)[NH+]1CCOC2(CCCC2)C1 ZINC000155090963 546899519 /nfs/dbraw/zinc/89/95/19/546899519.db2.gz WTZNTIJHBCFABH-GOSISDBHSA-N 2 2 336.520 3.055 20 0 EGADLP C[C@H](CC[NH+]1CCOC2(CCCC2)C1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000155090963 546899524 /nfs/dbraw/zinc/89/95/24/546899524.db2.gz WTZNTIJHBCFABH-GOSISDBHSA-N 2 2 336.520 3.055 20 0 EGADLP C[C@H](CC[NH+]1CCOC2(CCCC2)C1)[N@H+]1CCOC2(CCCC2)C1 ZINC000155090963 546899527 /nfs/dbraw/zinc/89/95/27/546899527.db2.gz WTZNTIJHBCFABH-GOSISDBHSA-N 2 2 336.520 3.055 20 0 EGADLP CC(C)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000169283464 546992396 /nfs/dbraw/zinc/99/23/96/546992396.db2.gz VBXIEXWZHBTEKM-YJBOKZPZSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000169283464 546992401 /nfs/dbraw/zinc/99/24/01/546992401.db2.gz VBXIEXWZHBTEKM-YJBOKZPZSA-N 2 2 328.460 3.193 20 0 EGADLP CCc1nn(C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000180181673 547053255 /nfs/dbraw/zinc/05/32/55/547053255.db2.gz OJZBZSISVPIMJU-YLJYHZDGSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000180181673 547053260 /nfs/dbraw/zinc/05/32/60/547053260.db2.gz OJZBZSISVPIMJU-YLJYHZDGSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180181673 547053263 /nfs/dbraw/zinc/05/32/63/547053263.db2.gz OJZBZSISVPIMJU-YLJYHZDGSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180181673 547053267 /nfs/dbraw/zinc/05/32/67/547053267.db2.gz OJZBZSISVPIMJU-YLJYHZDGSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000180181690 547053410 /nfs/dbraw/zinc/05/34/10/547053410.db2.gz OJZBZSISVPIMJU-XLIONFOSSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000180181690 547053413 /nfs/dbraw/zinc/05/34/13/547053413.db2.gz OJZBZSISVPIMJU-XLIONFOSSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180181690 547053416 /nfs/dbraw/zinc/05/34/16/547053416.db2.gz OJZBZSISVPIMJU-XLIONFOSSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000180181690 547053418 /nfs/dbraw/zinc/05/34/18/547053418.db2.gz OJZBZSISVPIMJU-XLIONFOSSA-N 2 2 340.515 3.467 20 0 EGADLP Cn1c[nH+]cc1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000188129700 547144874 /nfs/dbraw/zinc/14/48/74/547144874.db2.gz FITGAKRYKYBNCW-UHFFFAOYSA-N 2 2 340.471 3.366 20 0 EGADLP Cn1c[nH+]cc1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000188129700 547144882 /nfs/dbraw/zinc/14/48/82/547144882.db2.gz FITGAKRYKYBNCW-UHFFFAOYSA-N 2 2 340.471 3.366 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000189105412 547156200 /nfs/dbraw/zinc/15/62/00/547156200.db2.gz DFMBQSBUEHAZPP-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000189105412 547156206 /nfs/dbraw/zinc/15/62/06/547156206.db2.gz DFMBQSBUEHAZPP-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000189105412 547156210 /nfs/dbraw/zinc/15/62/10/547156210.db2.gz DFMBQSBUEHAZPP-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000189105412 547156216 /nfs/dbraw/zinc/15/62/16/547156216.db2.gz DFMBQSBUEHAZPP-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)c(Cl)s3)C[C@H]12 ZINC000261545141 547324447 /nfs/dbraw/zinc/32/44/47/547324447.db2.gz FQHISRPJDAATAC-OVYXKVPISA-N 2 2 335.698 3.333 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)c(Cl)s3)C[C@H]12 ZINC000261545141 547324453 /nfs/dbraw/zinc/32/44/53/547324453.db2.gz FQHISRPJDAATAC-OVYXKVPISA-N 2 2 335.698 3.333 20 0 EGADLP CCc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000277122269 547358083 /nfs/dbraw/zinc/35/80/83/547358083.db2.gz ZAJWQVGWMCXDSS-QGZVFWFLSA-N 2 2 345.512 3.086 20 0 EGADLP CCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000277122269 547358085 /nfs/dbraw/zinc/35/80/85/547358085.db2.gz ZAJWQVGWMCXDSS-QGZVFWFLSA-N 2 2 345.512 3.086 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339352481 547575613 /nfs/dbraw/zinc/57/56/13/547575613.db2.gz BDIQGCPJOXBTPI-IAGOWNOFSA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339352481 547575618 /nfs/dbraw/zinc/57/56/18/547575618.db2.gz BDIQGCPJOXBTPI-IAGOWNOFSA-N 2 2 349.544 3.218 20 0 EGADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000347444029 547624893 /nfs/dbraw/zinc/62/48/93/547624893.db2.gz ISEOVBPQWGPVRM-GOSISDBHSA-N 2 2 326.444 3.351 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc(Br)c1)C2 ZINC000388994737 547824951 /nfs/dbraw/zinc/82/49/51/547824951.db2.gz TUHNWMDRUBTMKJ-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)cc(Br)c1)C2 ZINC000388994737 547824953 /nfs/dbraw/zinc/82/49/53/547824953.db2.gz TUHNWMDRUBTMKJ-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235189 549435936 /nfs/dbraw/zinc/43/59/36/549435936.db2.gz FDOJDSMZQYHSFW-GOSISDBHSA-N 2 2 329.444 3.136 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235189 549435937 /nfs/dbraw/zinc/43/59/37/549435937.db2.gz FDOJDSMZQYHSFW-GOSISDBHSA-N 2 2 329.444 3.136 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000678259065 549448285 /nfs/dbraw/zinc/44/82/85/549448285.db2.gz YENIKTYKFKDVDN-HNNXBMFYSA-N 2 2 347.890 3.298 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000678259065 549448287 /nfs/dbraw/zinc/44/82/87/549448287.db2.gz YENIKTYKFKDVDN-HNNXBMFYSA-N 2 2 347.890 3.298 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000678269110 549452466 /nfs/dbraw/zinc/45/24/66/549452466.db2.gz NRBUNDGAOYANHD-DOTOQJQBSA-N 2 2 336.439 3.017 20 0 EGADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000678269110 549452468 /nfs/dbraw/zinc/45/24/68/549452468.db2.gz NRBUNDGAOYANHD-DOTOQJQBSA-N 2 2 336.439 3.017 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2cccs2)n1 ZINC000678823323 549570436 /nfs/dbraw/zinc/57/04/36/549570436.db2.gz PICFRYGTWSLJIM-OAHLLOKOSA-N 2 2 327.457 3.182 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2cccs2)n1 ZINC000678823323 549570440 /nfs/dbraw/zinc/57/04/40/549570440.db2.gz PICFRYGTWSLJIM-OAHLLOKOSA-N 2 2 327.457 3.182 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1 ZINC000680254463 549838901 /nfs/dbraw/zinc/83/89/01/549838901.db2.gz WFCPEFUHTKNHMT-UHFFFAOYSA-N 2 2 326.444 3.242 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000680260214 549840559 /nfs/dbraw/zinc/84/05/59/549840559.db2.gz RXNJWAACATWNQL-INIZCTEOSA-N 2 2 332.835 3.042 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)no2)c(F)c1 ZINC000682027854 550063372 /nfs/dbraw/zinc/06/33/72/550063372.db2.gz KKINRGFZBFCVHS-CYBMUJFWSA-N 2 2 345.353 3.048 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)no2)c(F)c1 ZINC000682027854 550063376 /nfs/dbraw/zinc/06/33/76/550063376.db2.gz KKINRGFZBFCVHS-CYBMUJFWSA-N 2 2 345.353 3.048 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000682407197 550095726 /nfs/dbraw/zinc/09/57/26/550095726.db2.gz UHKZKTQHVZPYFE-INIZCTEOSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000682407197 550095727 /nfs/dbraw/zinc/09/57/27/550095727.db2.gz UHKZKTQHVZPYFE-INIZCTEOSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000682407197 550095728 /nfs/dbraw/zinc/09/57/28/550095728.db2.gz UHKZKTQHVZPYFE-INIZCTEOSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000682407197 550095729 /nfs/dbraw/zinc/09/57/29/550095729.db2.gz UHKZKTQHVZPYFE-INIZCTEOSA-N 2 2 331.485 3.111 20 0 EGADLP C[N@H+](CCC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000684162175 550297711 /nfs/dbraw/zinc/29/77/11/550297711.db2.gz YRGCMNKCLNWUKJ-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP C[N@@H+](CCC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000684162175 550297714 /nfs/dbraw/zinc/29/77/14/550297714.db2.gz YRGCMNKCLNWUKJ-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP Oc1cccc2c(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc[nH+]c12 ZINC000684566268 550343588 /nfs/dbraw/zinc/34/35/88/550343588.db2.gz PHOTXSSSYKMMDW-QGZVFWFLSA-N 2 2 349.434 3.253 20 0 EGADLP Oc1cccc2c(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc[nH+]c12 ZINC000684566268 550343589 /nfs/dbraw/zinc/34/35/89/550343589.db2.gz PHOTXSSSYKMMDW-QGZVFWFLSA-N 2 2 349.434 3.253 20 0 EGADLP Oc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc(C(F)(F)F)c1 ZINC000685833121 550445898 /nfs/dbraw/zinc/44/58/98/550445898.db2.gz CXHYKVPPVWFOBE-UHFFFAOYSA-N 2 2 337.345 3.128 20 0 EGADLP Cc1ccc([C@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+](C)C)cc1 ZINC000733188551 575318554 /nfs/dbraw/zinc/31/85/54/575318554.db2.gz IEONVELBLYTILK-KRWDZBQOSA-N 2 2 325.460 3.100 20 0 EGADLP Brc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000733797894 575397190 /nfs/dbraw/zinc/39/71/90/575397190.db2.gz CHWUTKSRYDSDOA-UHFFFAOYSA-N 2 2 343.228 3.320 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(O)c3)CC2)cc1 ZINC000742377475 576776148 /nfs/dbraw/zinc/77/61/48/576776148.db2.gz DMMZDJWHDWTYQX-UHFFFAOYSA-N 2 2 325.456 3.217 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733562 1298150495 /nfs/dbraw/zinc/15/04/95/1298150495.db2.gz AKYSXEMJIJOQDU-LELZANKISA-N 3 2 341.543 3.406 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733562 1298150498 /nfs/dbraw/zinc/15/04/98/1298150498.db2.gz AKYSXEMJIJOQDU-LELZANKISA-N 3 2 341.543 3.406 20 0 EGADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(OC)c1 ZINC000030901884 1291357345 /nfs/dbraw/zinc/35/73/45/1291357345.db2.gz WZRZHRFNDHCXSM-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054152908 1291745021 /nfs/dbraw/zinc/74/50/21/1291745021.db2.gz BTFCVRIQQHNQSZ-HNNXBMFYSA-N 2 2 335.407 3.494 20 0 EGADLP CC1CC[NH+](CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000060774027 1291941610 /nfs/dbraw/zinc/94/16/10/1291941610.db2.gz LOZZZGFHZURVMV-UHFFFAOYSA-N 2 2 325.840 3.460 20 0 EGADLP CCOc1cccc(C[NH2+]CC(C)(C)C[NH+](C)C)c1OC(F)F ZINC000060816827 1291943837 /nfs/dbraw/zinc/94/38/37/1291943837.db2.gz MYEPRIRCILVGJC-UHFFFAOYSA-N 2 2 330.419 3.364 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)cn1 ZINC000070396334 1292255854 /nfs/dbraw/zinc/25/58/54/1292255854.db2.gz SRPNCWWBCVHWNU-AWEZNQCLSA-N 2 2 337.265 3.245 20 0 EGADLP CN(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000072670974 1292285240 /nfs/dbraw/zinc/28/52/40/1292285240.db2.gz PRJQARYEHZAUPA-OAQYLSRUSA-N 2 2 334.467 3.135 20 0 EGADLP CC/C(C)=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827684852 1292355656 /nfs/dbraw/zinc/35/56/56/1292355656.db2.gz HALNYVBBASNCLW-OONVKKPXSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C(C)=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827684852 1292355662 /nfs/dbraw/zinc/35/56/62/1292355662.db2.gz HALNYVBBASNCLW-OONVKKPXSA-N 2 2 335.536 3.138 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000077403266 1292462273 /nfs/dbraw/zinc/46/22/73/1292462273.db2.gz WKYRFTGCPWUBCK-UHFFFAOYSA-N 2 2 330.451 3.366 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000090117567 1292788289 /nfs/dbraw/zinc/78/82/89/1292788289.db2.gz QXUNZPMFEHUNKJ-YWZLYKJASA-N 2 2 338.430 3.093 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000090117567 1292788293 /nfs/dbraw/zinc/78/82/93/1292788293.db2.gz QXUNZPMFEHUNKJ-YWZLYKJASA-N 2 2 338.430 3.093 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000109016021 1293085769 /nfs/dbraw/zinc/08/57/69/1293085769.db2.gz NVHFUSWUOAEKIM-OAQYLSRUSA-N 2 2 333.435 3.186 20 0 EGADLP CO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C12CCC2 ZINC000834601785 1293121297 /nfs/dbraw/zinc/12/12/97/1293121297.db2.gz AFWFLOQRSHDXIC-UXHICEINSA-N 2 2 343.515 3.269 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000120140556 1293307004 /nfs/dbraw/zinc/30/70/04/1293307004.db2.gz XMJLBHFUDMSFRF-UHFFFAOYSA-N 2 2 343.446 3.088 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000120759482 1293337531 /nfs/dbraw/zinc/33/75/31/1293337531.db2.gz POBQLRQNBCPDEV-OAHLLOKOSA-N 2 2 334.895 3.445 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000120759482 1293337538 /nfs/dbraw/zinc/33/75/38/1293337538.db2.gz POBQLRQNBCPDEV-OAHLLOKOSA-N 2 2 334.895 3.445 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000120851253 1293343183 /nfs/dbraw/zinc/34/31/83/1293343183.db2.gz GLKCJEUFZCVTNN-IBGZPJMESA-N 3 2 326.488 3.330 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000120851253 1293343189 /nfs/dbraw/zinc/34/31/89/1293343189.db2.gz GLKCJEUFZCVTNN-IBGZPJMESA-N 3 2 326.488 3.330 20 0 EGADLP CCOc1c(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c(C)nn1CC(C)C ZINC000125445760 1293507950 /nfs/dbraw/zinc/50/79/50/1293507950.db2.gz IQPUGRGZXBCWQE-KRWDZBQOSA-N 2 2 336.524 3.068 20 0 EGADLP CCOc1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c(C)nn1CC(C)C ZINC000125445760 1293507957 /nfs/dbraw/zinc/50/79/57/1293507957.db2.gz IQPUGRGZXBCWQE-KRWDZBQOSA-N 2 2 336.524 3.068 20 0 EGADLP COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000128655667 1293599998 /nfs/dbraw/zinc/59/99/98/1293599998.db2.gz KHHUCOATOATCMK-HXUWFJFHSA-N 2 2 337.423 3.094 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157674357 1294184377 /nfs/dbraw/zinc/18/43/77/1294184377.db2.gz UKWYRQDTWZLZHP-KUHUBIRLSA-N 2 2 325.387 3.396 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000161089033 1294285055 /nfs/dbraw/zinc/28/50/55/1294285055.db2.gz CWGSPYLTPRZWAI-GHTZIAJQSA-N 3 2 344.547 3.184 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cccnc1=S ZINC000173511745 1294464482 /nfs/dbraw/zinc/46/44/82/1294464482.db2.gz LIRNXPKIRYPPHQ-UHFFFAOYSA-N 2 2 343.500 3.204 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cccnc1=S ZINC000173511745 1294464484 /nfs/dbraw/zinc/46/44/84/1294464484.db2.gz LIRNXPKIRYPPHQ-UHFFFAOYSA-N 2 2 343.500 3.204 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000185404321 1295261556 /nfs/dbraw/zinc/26/15/56/1295261556.db2.gz MAONPHIJOUNKEB-NEPJUHHUSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000185404321 1295261563 /nfs/dbraw/zinc/26/15/63/1295261563.db2.gz MAONPHIJOUNKEB-NEPJUHHUSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000185404301 1295262030 /nfs/dbraw/zinc/26/20/30/1295262030.db2.gz MAONPHIJOUNKEB-RYUDHWBXSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000185404301 1295262035 /nfs/dbraw/zinc/26/20/35/1295262035.db2.gz MAONPHIJOUNKEB-RYUDHWBXSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000237521709 1296248105 /nfs/dbraw/zinc/24/81/05/1296248105.db2.gz XGQLPBXOMRRCFZ-MJGOQNOKSA-N 2 2 332.488 3.066 20 0 EGADLP Cc1csc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000247047749 1296381211 /nfs/dbraw/zinc/38/12/11/1296381211.db2.gz OOTVVNCBYOJZCH-QAPCUYQASA-N 2 2 344.528 3.279 20 0 EGADLP Cc1csc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000247047749 1296381226 /nfs/dbraw/zinc/38/12/26/1296381226.db2.gz OOTVVNCBYOJZCH-QAPCUYQASA-N 2 2 344.528 3.279 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871886363 1296595166 /nfs/dbraw/zinc/59/51/66/1296595166.db2.gz JLOCNFVESVCQJK-IBGZPJMESA-N 2 2 329.488 3.319 20 0 EGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000261921104 1296608677 /nfs/dbraw/zinc/60/86/77/1296608677.db2.gz ZLKVMUGUZOFJEO-ZWKOTPCHSA-N 2 2 332.394 3.257 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1c1ccccc1 ZINC000261921104 1296608693 /nfs/dbraw/zinc/60/86/93/1296608693.db2.gz ZLKVMUGUZOFJEO-ZWKOTPCHSA-N 2 2 332.394 3.257 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2F)[C@@H](C)C1 ZINC000872035681 1296684677 /nfs/dbraw/zinc/68/46/77/1296684677.db2.gz PXJQLOSUCUYVEM-UXLLHSPISA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2F)[C@@H](C)C1 ZINC000872035681 1296684699 /nfs/dbraw/zinc/68/46/99/1296684699.db2.gz PXJQLOSUCUYVEM-UXLLHSPISA-N 2 2 338.467 3.319 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872260146 1296863416 /nfs/dbraw/zinc/86/34/16/1296863416.db2.gz JJKWOBLSWAMUGL-OTWHNJEPSA-N 2 2 325.456 3.162 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872260146 1296863438 /nfs/dbraw/zinc/86/34/38/1296863438.db2.gz JJKWOBLSWAMUGL-OTWHNJEPSA-N 2 2 325.456 3.162 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000309947554 1297079729 /nfs/dbraw/zinc/07/97/29/1297079729.db2.gz RBCXULNEECXAHD-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000309947554 1297079743 /nfs/dbraw/zinc/07/97/43/1297079743.db2.gz RBCXULNEECXAHD-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209635 1297352466 /nfs/dbraw/zinc/35/24/66/1297352466.db2.gz RBFUUPQJTIGCFG-MRXNPFEDSA-N 2 2 330.501 3.337 20 0 EGADLP CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209635 1297352477 /nfs/dbraw/zinc/35/24/77/1297352477.db2.gz RBFUUPQJTIGCFG-MRXNPFEDSA-N 2 2 330.501 3.337 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000383378472 1297570909 /nfs/dbraw/zinc/57/09/09/1297570909.db2.gz DMFCFNXGSLDSBW-LJQANCHMSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000383378472 1297570914 /nfs/dbraw/zinc/57/09/14/1297570914.db2.gz DMFCFNXGSLDSBW-LJQANCHMSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398025249 1297710443 /nfs/dbraw/zinc/71/04/43/1297710443.db2.gz LSHPSJUURWYASQ-RDTXWAMCSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398025249 1297710452 /nfs/dbraw/zinc/71/04/52/1297710452.db2.gz LSHPSJUURWYASQ-RDTXWAMCSA-N 2 2 346.906 3.382 20 0 EGADLP C/C=C(/CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000588573631 1298085098 /nfs/dbraw/zinc/08/50/98/1298085098.db2.gz NIPFOVVXVRTFSS-OEFWXDCSSA-N 2 2 335.536 3.138 20 0 EGADLP C/C=C(/CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000588573631 1298085112 /nfs/dbraw/zinc/08/51/12/1298085112.db2.gz NIPFOVVXVRTFSS-OEFWXDCSSA-N 2 2 335.536 3.138 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029219 1298254974 /nfs/dbraw/zinc/25/49/74/1298254974.db2.gz UVODCPYQSDNKRA-IEBWSBKVSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029219 1298254982 /nfs/dbraw/zinc/25/49/82/1298254982.db2.gz UVODCPYQSDNKRA-IEBWSBKVSA-N 2 2 326.488 3.373 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000749334288 1299194823 /nfs/dbraw/zinc/19/48/23/1299194823.db2.gz SZOHBTWPAQYZID-SFHVURJKSA-N 2 2 339.483 3.022 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000749334288 1299194830 /nfs/dbraw/zinc/19/48/30/1299194830.db2.gz SZOHBTWPAQYZID-SFHVURJKSA-N 2 2 339.483 3.022 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755206774 1300299226 /nfs/dbraw/zinc/29/92/26/1300299226.db2.gz MTBIMSGDQNMNMA-RTBURBONSA-N 2 2 335.536 3.138 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755206774 1300299236 /nfs/dbraw/zinc/29/92/36/1300299236.db2.gz MTBIMSGDQNMNMA-RTBURBONSA-N 2 2 335.536 3.138 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202854 1300299278 /nfs/dbraw/zinc/29/92/78/1300299278.db2.gz CLSCDGDGHLMUAT-LSTHTHJFSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202854 1300299286 /nfs/dbraw/zinc/29/92/86/1300299286.db2.gz CLSCDGDGHLMUAT-LSTHTHJFSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202856 1300299634 /nfs/dbraw/zinc/29/96/34/1300299634.db2.gz CLSCDGDGHLMUAT-NSISKUIASA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202856 1300299643 /nfs/dbraw/zinc/29/96/43/1300299643.db2.gz CLSCDGDGHLMUAT-NSISKUIASA-N 2 2 349.563 3.218 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215562 1300300474 /nfs/dbraw/zinc/30/04/74/1300300474.db2.gz WYSODWVUQLDPKJ-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215562 1300300482 /nfs/dbraw/zinc/30/04/82/1300300482.db2.gz WYSODWVUQLDPKJ-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccccc3)cc12 ZINC000880572131 1301168476 /nfs/dbraw/zinc/16/84/76/1301168476.db2.gz XCOUUIDYNDJUBI-IBGZPJMESA-N 2 2 346.438 3.004 20 0 EGADLP C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000882874005 1302140713 /nfs/dbraw/zinc/14/07/13/1302140713.db2.gz RKGFUQXHBWDMRA-SFNKJDCFSA-N 2 2 340.471 3.002 20 0 EGADLP C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000882874005 1302140719 /nfs/dbraw/zinc/14/07/19/1302140719.db2.gz RKGFUQXHBWDMRA-SFNKJDCFSA-N 2 2 340.471 3.002 20 0 EGADLP Cc1csc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000764880588 1302158008 /nfs/dbraw/zinc/15/80/08/1302158008.db2.gz OPJOWKXFVVFMQQ-UHFFFAOYSA-N 2 2 344.528 3.319 20 0 EGADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252138 1302229608 /nfs/dbraw/zinc/22/96/08/1302229608.db2.gz RCOFSUNTMGNYJS-MISYRCLQSA-N 2 2 340.515 3.408 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135044 1302397256 /nfs/dbraw/zinc/39/72/56/1302397256.db2.gz JDHWGNKEORDAPJ-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135044 1302397267 /nfs/dbraw/zinc/39/72/67/1302397267.db2.gz JDHWGNKEORDAPJ-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP CCC1([NH+]2CCC2)CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000884716565 1302964832 /nfs/dbraw/zinc/96/48/32/1302964832.db2.gz BWAFAWJEHCYBNF-UHFFFAOYSA-N 2 2 335.455 3.337 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769875843 1303186743 /nfs/dbraw/zinc/18/67/43/1303186743.db2.gz XNFXGKUNIYYORE-ZWOKBUDYSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000769875843 1303186748 /nfs/dbraw/zinc/18/67/48/1303186748.db2.gz XNFXGKUNIYYORE-ZWOKBUDYSA-N 2 2 344.499 3.477 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388781 1303397570 /nfs/dbraw/zinc/39/75/70/1303397570.db2.gz JYXVLPIPCRRAPL-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388781 1303397576 /nfs/dbraw/zinc/39/75/76/1303397576.db2.gz JYXVLPIPCRRAPL-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951953 1303597596 /nfs/dbraw/zinc/59/75/96/1303597596.db2.gz PUHUSYKKPYZJEB-JQWIXIFHSA-N 2 2 330.259 3.004 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951953 1303597603 /nfs/dbraw/zinc/59/76/03/1303597603.db2.gz PUHUSYKKPYZJEB-JQWIXIFHSA-N 2 2 330.259 3.004 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886874389 1303622621 /nfs/dbraw/zinc/62/26/21/1303622621.db2.gz MYNDQFHNUXSLPU-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886874389 1303622626 /nfs/dbraw/zinc/62/26/26/1303622626.db2.gz MYNDQFHNUXSLPU-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000887130924 1303685262 /nfs/dbraw/zinc/68/52/62/1303685262.db2.gz NNNWGHFDIQFWFE-INIZCTEOSA-N 2 2 334.423 3.447 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000887130924 1303685267 /nfs/dbraw/zinc/68/52/67/1303685267.db2.gz NNNWGHFDIQFWFE-INIZCTEOSA-N 2 2 334.423 3.447 20 0 EGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775377479 1303950350 /nfs/dbraw/zinc/95/03/50/1303950350.db2.gz CJMCXHVPUMFZGF-NEXGVSGLSA-N 2 2 328.591 3.322 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775377479 1303950352 /nfs/dbraw/zinc/95/03/52/1303950352.db2.gz CJMCXHVPUMFZGF-NEXGVSGLSA-N 2 2 328.591 3.322 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2nccn2C)cc1C[NH+]1CCCCC1 ZINC000775379692 1303951029 /nfs/dbraw/zinc/95/10/29/1303951029.db2.gz IZYRYOZTZZWNFO-MRXNPFEDSA-N 2 2 342.487 3.265 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCCOC1 ZINC000780724382 1304729681 /nfs/dbraw/zinc/72/96/81/1304729681.db2.gz KHESQQOXJLTTGU-IRXDYDNUSA-N 2 2 331.504 3.126 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)CC3 ZINC000782756759 1305009545 /nfs/dbraw/zinc/00/95/45/1305009545.db2.gz GRLHOTABLBQVPH-JKSUJKDBSA-N 2 2 341.499 3.498 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CC3 ZINC000782762715 1305010691 /nfs/dbraw/zinc/01/06/91/1305010691.db2.gz CAGHNULGTDZHPT-GJZGRUSLSA-N 2 2 327.472 3.108 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CC3 ZINC000782762715 1305010698 /nfs/dbraw/zinc/01/06/98/1305010698.db2.gz CAGHNULGTDZHPT-GJZGRUSLSA-N 2 2 327.472 3.108 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCS(=O)CC2)CCCC1)c1ccccc1 ZINC000892982784 1305637735 /nfs/dbraw/zinc/63/77/35/1305637735.db2.gz MTEBKGIOJHDKRX-NEAIJXHWSA-N 2 2 334.529 3.151 20 0 EGADLP CCOC(CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC000786836131 1305640331 /nfs/dbraw/zinc/64/03/31/1305640331.db2.gz WZMMKDHTLICCNR-GOSISDBHSA-N 2 2 334.504 3.418 20 0 EGADLP CCOC(CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC000786836131 1305640335 /nfs/dbraw/zinc/64/03/35/1305640335.db2.gz WZMMKDHTLICCNR-GOSISDBHSA-N 2 2 334.504 3.418 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]cnc2[nH]cc(CC)c21 ZINC000893488221 1305921344 /nfs/dbraw/zinc/92/13/44/1305921344.db2.gz QGEWFUDZABLAER-UHFFFAOYSA-N 2 2 326.448 3.196 20 0 EGADLP COc1cccc(-c2csc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000893706141 1306041106 /nfs/dbraw/zinc/04/11/06/1306041106.db2.gz BFOHSOUJKUMGCN-CQSZACIVSA-N 2 2 340.452 3.120 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791649430 1309040268 /nfs/dbraw/zinc/04/02/68/1309040268.db2.gz YVNFMMLZRUSCPC-IBGZPJMESA-N 2 2 341.455 3.180 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791649430 1309040274 /nfs/dbraw/zinc/04/02/74/1309040274.db2.gz YVNFMMLZRUSCPC-IBGZPJMESA-N 2 2 341.455 3.180 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)n(C)n1 ZINC000793519062 1309391965 /nfs/dbraw/zinc/39/19/65/1309391965.db2.gz AMQUMDNKOOVKEZ-KRWDZBQOSA-N 2 2 326.488 3.352 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000793530647 1309396536 /nfs/dbraw/zinc/39/65/36/1309396536.db2.gz FERAPPVLNKJOPC-LNLFQRSKSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000793530647 1309396544 /nfs/dbraw/zinc/39/65/44/1309396544.db2.gz FERAPPVLNKJOPC-LNLFQRSKSA-N 2 2 326.488 3.432 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895712101 1309481981 /nfs/dbraw/zinc/48/19/81/1309481981.db2.gz XVHQMWBNICCBTF-IBGZPJMESA-N 2 2 337.471 3.273 20 0 EGADLP C[C@@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)Cn1cc[nH+]c1 ZINC000796278733 1309951057 /nfs/dbraw/zinc/95/10/57/1309951057.db2.gz CMOAVUVAELOGSG-NSHDSACASA-N 2 2 338.242 3.264 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577983 1319401513 /nfs/dbraw/zinc/40/15/13/1319401513.db2.gz PQZBPRGYUAGZQM-ZWNOBZJWSA-N 2 2 344.322 3.288 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577983 1319401520 /nfs/dbraw/zinc/40/15/20/1319401520.db2.gz PQZBPRGYUAGZQM-ZWNOBZJWSA-N 2 2 344.322 3.288 20 0 EGADLP CCc1ccc2c(C[N@H+](C)CCC[NH+]3CCCC3)cc(=O)oc2c1 ZINC000799175698 1310498279 /nfs/dbraw/zinc/49/82/79/1310498279.db2.gz LMLOBDVLTMPMMA-UHFFFAOYSA-N 2 2 328.456 3.273 20 0 EGADLP CCc1ccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)cc(=O)oc2c1 ZINC000799175698 1310498282 /nfs/dbraw/zinc/49/82/82/1310498282.db2.gz LMLOBDVLTMPMMA-UHFFFAOYSA-N 2 2 328.456 3.273 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000799175463 1310498524 /nfs/dbraw/zinc/49/85/24/1310498524.db2.gz ZKMYDBCIVRJMSB-INIZCTEOSA-N 2 2 331.287 3.445 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000799175463 1310498525 /nfs/dbraw/zinc/49/85/25/1310498525.db2.gz ZKMYDBCIVRJMSB-INIZCTEOSA-N 2 2 331.287 3.445 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)n1cc[nH+]c1 ZINC000825329159 1320328928 /nfs/dbraw/zinc/32/89/28/1320328928.db2.gz SDSFLQAOFWFACN-GOSISDBHSA-N 2 2 334.508 3.097 20 0 EGADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929474089 1328607930 /nfs/dbraw/zinc/60/79/30/1328607930.db2.gz TYZAGJWDVMDJMT-INIZCTEOSA-N 2 2 340.452 3.191 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001019139634 1317068149 /nfs/dbraw/zinc/06/81/49/1317068149.db2.gz MDQXBKUGGVOABB-WMZOPIPTSA-N 2 2 348.450 3.208 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)c(F)c1 ZINC000805754270 1317417856 /nfs/dbraw/zinc/41/78/56/1317417856.db2.gz PIQCWDLEXYWAFB-PBHICJAKSA-N 2 2 336.794 3.061 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)c(F)c1 ZINC000805754270 1317417858 /nfs/dbraw/zinc/41/78/58/1317417858.db2.gz PIQCWDLEXYWAFB-PBHICJAKSA-N 2 2 336.794 3.061 20 0 EGADLP CC(C)[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC000957578432 1317474213 /nfs/dbraw/zinc/47/42/13/1317474213.db2.gz ZTZJRBXZWKRYGD-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615032 1317498310 /nfs/dbraw/zinc/49/83/10/1317498310.db2.gz UVMJOVXQXXOJOC-GOSISDBHSA-N 2 2 346.519 3.339 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+][C@H](C)c4ccccc4)C3)ccn12 ZINC001020153469 1317565855 /nfs/dbraw/zinc/56/58/55/1317565855.db2.gz LAWGMDLHRZIIEG-ATZDWAIDSA-N 2 2 348.450 3.254 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000902436143 1317578990 /nfs/dbraw/zinc/57/89/90/1317578990.db2.gz XMAMFUGQBPTKQS-MVJPYGJCSA-N 2 2 332.488 3.019 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514776 1317585188 /nfs/dbraw/zinc/58/51/88/1317585188.db2.gz PUHJKXGNVUKHQF-AAEUAGOBSA-N 2 2 334.407 3.155 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001020296566 1317632201 /nfs/dbraw/zinc/63/22/01/1317632201.db2.gz WFAKXVUFAVPFOE-IYARVYRRSA-N 2 2 348.450 3.230 20 0 EGADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c1 ZINC000903198339 1317672258 /nfs/dbraw/zinc/67/22/58/1317672258.db2.gz JCVCSUUPXLVOSD-FQEVSTJZSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)c(C)[nH+]1 ZINC001020415052 1317686877 /nfs/dbraw/zinc/68/68/77/1317686877.db2.gz YKTBIBKJHKHTMN-RHQZKXFESA-N 2 2 341.499 3.293 20 0 EGADLP Clc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903974846 1317759345 /nfs/dbraw/zinc/75/93/45/1317759345.db2.gz UDOOVDLGBYYQOT-ZDUSSCGKSA-N 2 2 329.271 3.242 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000904272751 1317821408 /nfs/dbraw/zinc/82/14/08/1317821408.db2.gz YNLPTAOGMJXPSF-UHFFFAOYSA-N 2 2 349.438 3.402 20 0 EGADLP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309661 1317828431 /nfs/dbraw/zinc/82/84/31/1317828431.db2.gz ONFZLEZAVRUXTF-QUCCMNQESA-N 2 2 332.488 3.066 20 0 EGADLP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309661 1317828438 /nfs/dbraw/zinc/82/84/38/1317828438.db2.gz ONFZLEZAVRUXTF-QUCCMNQESA-N 2 2 332.488 3.066 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809633704 1317851804 /nfs/dbraw/zinc/85/18/04/1317851804.db2.gz SAMNZMJASCKGAM-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809633704 1317851809 /nfs/dbraw/zinc/85/18/09/1317851809.db2.gz SAMNZMJASCKGAM-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP C[C@@H](C[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)CO)c1ccccc1 ZINC000809774719 1317895321 /nfs/dbraw/zinc/89/53/21/1317895321.db2.gz PTCVNFNLILCNHQ-HOTGVXAUSA-N 2 2 347.528 3.191 20 0 EGADLP C[C@@H](C[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)CO)c1ccccc1 ZINC000809774719 1317895326 /nfs/dbraw/zinc/89/53/26/1317895326.db2.gz PTCVNFNLILCNHQ-HOTGVXAUSA-N 2 2 347.528 3.191 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@](C)(O)C(F)F)CCCC1)c1ccccc1 ZINC000905113040 1317925323 /nfs/dbraw/zinc/92/53/23/1317925323.db2.gz CBHBOMWCKSNVML-PBHICJAKSA-N 2 2 326.431 3.256 20 0 EGADLP CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000809994849 1317933450 /nfs/dbraw/zinc/93/34/50/1317933450.db2.gz HKMSRRXKHNNZQH-QGZVFWFLSA-N 2 2 347.503 3.318 20 0 EGADLP Cc1cc(C(F)(F)F)nn1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000811761695 1318257052 /nfs/dbraw/zinc/25/70/52/1318257052.db2.gz KKTOZIGZMUGDIZ-UHFFFAOYSA-N 2 2 332.414 3.222 20 0 EGADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000812840322 1318468948 /nfs/dbraw/zinc/46/89/48/1318468948.db2.gz AJUMWVIQMWHKNB-UIAACRFSSA-N 2 2 345.531 3.371 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000813854710 1318643914 /nfs/dbraw/zinc/64/39/14/1318643914.db2.gz DRQNXTYDPKTMBG-MRXNPFEDSA-N 2 2 348.450 3.425 20 0 EGADLP CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001022285362 1318875234 /nfs/dbraw/zinc/87/52/34/1318875234.db2.gz HJCIUQFLEIBHPJ-HDICACEKSA-N 2 2 348.450 3.176 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001022286997 1318878044 /nfs/dbraw/zinc/87/80/44/1318878044.db2.gz ZSGRJZSBYGYUDK-OLMNPRSZSA-N 2 2 348.450 3.483 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnn(C)c1Cl ZINC000815130187 1318903853 /nfs/dbraw/zinc/90/38/53/1318903853.db2.gz WGDPBGRUGHHYCZ-GJZGRUSLSA-N 2 2 346.906 3.320 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)c(C)[nH+]1 ZINC001022461216 1318950568 /nfs/dbraw/zinc/95/05/68/1318950568.db2.gz DVPCPVQKLSYNRH-HDICACEKSA-N 2 2 341.499 3.438 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259936 1319407963 /nfs/dbraw/zinc/40/79/63/1319407963.db2.gz HMFNGYFPAGOFQQ-IAGOWNOFSA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259936 1319407967 /nfs/dbraw/zinc/40/79/67/1319407967.db2.gz HMFNGYFPAGOFQQ-IAGOWNOFSA-N 2 2 346.519 3.048 20 0 EGADLP CCCCn1c(SC[C@@H]2CCC[N@@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000915471970 1319488305 /nfs/dbraw/zinc/48/83/05/1319488305.db2.gz PRWVBUIQAAMQMY-GJZGRUSLSA-N 2 2 339.553 3.277 20 0 EGADLP CCCCn1c(SC[C@@H]2CCC[N@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000915471970 1319488310 /nfs/dbraw/zinc/48/83/10/1319488310.db2.gz PRWVBUIQAAMQMY-GJZGRUSLSA-N 2 2 339.553 3.277 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445613 1319542597 /nfs/dbraw/zinc/54/25/97/1319542597.db2.gz WKIRCFCPPYINPV-HNNXBMFYSA-N 2 2 342.487 3.441 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445613 1319542601 /nfs/dbraw/zinc/54/26/01/1319542601.db2.gz WKIRCFCPPYINPV-HNNXBMFYSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819182664 1319661010 /nfs/dbraw/zinc/66/10/10/1319661010.db2.gz GMSFSSULGJMMTR-MGPUTAFESA-N 2 2 343.446 3.069 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000822129187 1320056798 /nfs/dbraw/zinc/05/67/98/1320056798.db2.gz RZYZXMJMZZUFJY-QLFBSQMISA-N 2 2 339.524 3.141 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000822129187 1320056802 /nfs/dbraw/zinc/05/68/02/1320056802.db2.gz RZYZXMJMZZUFJY-QLFBSQMISA-N 2 2 339.524 3.141 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823579121 1320188474 /nfs/dbraw/zinc/18/84/74/1320188474.db2.gz MRBRCJJSRUCRBB-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823579121 1320188476 /nfs/dbraw/zinc/18/84/76/1320188476.db2.gz MRBRCJJSRUCRBB-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP Fc1c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccnc1Cl ZINC000824314684 1320247234 /nfs/dbraw/zinc/24/72/34/1320247234.db2.gz NKHPZSXTJAKUIH-HNNXBMFYSA-N 2 2 333.838 3.486 20 0 EGADLP Fc1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1Cl ZINC000824314684 1320247237 /nfs/dbraw/zinc/24/72/37/1320247237.db2.gz NKHPZSXTJAKUIH-HNNXBMFYSA-N 2 2 333.838 3.486 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474535 1321393042 /nfs/dbraw/zinc/39/30/42/1321393042.db2.gz VCXYQCWYWGPKDW-ICSRJNTNSA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474535 1321393046 /nfs/dbraw/zinc/39/30/46/1321393046.db2.gz VCXYQCWYWGPKDW-ICSRJNTNSA-N 2 2 337.467 3.242 20 0 EGADLP Cc1ccc2c(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc(=O)oc2c1C ZINC000842476021 1321393502 /nfs/dbraw/zinc/39/35/02/1321393502.db2.gz DRDGDBAWYXFLRN-GOSISDBHSA-N 2 2 328.456 3.407 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(Br)cnc1Cl)Cn1cc[nH+]c1 ZINC000842674658 1321416477 /nfs/dbraw/zinc/41/64/77/1321416477.db2.gz YHPGJFSGBPRYDF-JTQLQIEISA-N 2 2 343.656 3.120 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843046841 1321461201 /nfs/dbraw/zinc/46/12/01/1321461201.db2.gz BYRDSXOEWBKUPZ-KRWDZBQOSA-N 2 2 346.906 3.372 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843046841 1321461203 /nfs/dbraw/zinc/46/12/03/1321461203.db2.gz BYRDSXOEWBKUPZ-KRWDZBQOSA-N 2 2 346.906 3.372 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843050896 1321462217 /nfs/dbraw/zinc/46/22/17/1321462217.db2.gz ARHPBKZFFTVLJO-PBHICJAKSA-N 2 2 346.906 3.452 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843050896 1321462223 /nfs/dbraw/zinc/46/22/23/1321462223.db2.gz ARHPBKZFFTVLJO-PBHICJAKSA-N 2 2 346.906 3.452 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053250 1321462378 /nfs/dbraw/zinc/46/23/78/1321462378.db2.gz ZWAQFPDBAAZBJJ-QWHCGFSZSA-N 2 2 335.883 3.225 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053250 1321462382 /nfs/dbraw/zinc/46/23/82/1321462382.db2.gz ZWAQFPDBAAZBJJ-QWHCGFSZSA-N 2 2 335.883 3.225 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000843356303 1321504739 /nfs/dbraw/zinc/50/47/39/1321504739.db2.gz TWTLDHKXBIRHLR-FQEVSTJZSA-N 2 2 325.456 3.255 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354242 1321505022 /nfs/dbraw/zinc/50/50/22/1321505022.db2.gz WNOLNOZQLDBGQE-LPHOPBHVSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354242 1321505025 /nfs/dbraw/zinc/50/50/25/1321505025.db2.gz WNOLNOZQLDBGQE-LPHOPBHVSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845923538 1321754350 /nfs/dbraw/zinc/75/43/50/1321754350.db2.gz NYVXBPWBRKXHAP-KLAILNCOSA-N 2 2 339.524 3.144 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3(Br)CC3)C2)CC1 ZINC000846787865 1321808664 /nfs/dbraw/zinc/80/86/64/1321808664.db2.gz FWVGHZJVYSEWPL-OAHLLOKOSA-N 2 2 329.326 3.358 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(Br)CC3)C2)CC1 ZINC000846787865 1321808669 /nfs/dbraw/zinc/80/86/69/1321808669.db2.gz FWVGHZJVYSEWPL-OAHLLOKOSA-N 2 2 329.326 3.358 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccco1 ZINC000849051095 1322058676 /nfs/dbraw/zinc/05/86/76/1322058676.db2.gz WPFSIQCUDNWKLY-CZUORRHYSA-N 2 2 330.432 3.354 20 0 EGADLP COc1ccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)cc1Cl ZINC000849071086 1322066397 /nfs/dbraw/zinc/06/63/97/1322066397.db2.gz VHEJUIRUDUSNIS-UHFFFAOYSA-N 2 2 333.823 3.182 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924648380 1323092730 /nfs/dbraw/zinc/09/27/30/1323092730.db2.gz JXPWNJYCLYAVKG-LBFURVHYSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924648380 1323092737 /nfs/dbraw/zinc/09/27/37/1323092737.db2.gz JXPWNJYCLYAVKG-LBFURVHYSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)n1 ZINC000924693682 1323116422 /nfs/dbraw/zinc/11/64/22/1323116422.db2.gz GCSRUYWGTZMSKO-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)n1 ZINC000924693682 1323116431 /nfs/dbraw/zinc/11/64/31/1323116431.db2.gz GCSRUYWGTZMSKO-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000931222931 1329073983 /nfs/dbraw/zinc/07/39/83/1329073983.db2.gz PCRHBMUVFXPPSG-UHFFFAOYSA-N 2 2 342.443 3.008 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903869 1323206334 /nfs/dbraw/zinc/20/63/34/1323206334.db2.gz XFAUXVWEUMVXIO-QAPCUYQASA-N 2 2 343.471 3.026 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903869 1323206346 /nfs/dbraw/zinc/20/63/46/1323206346.db2.gz XFAUXVWEUMVXIO-QAPCUYQASA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)c2ccccn2)CCCC1)c1ccccc1 ZINC000853100005 1323281963 /nfs/dbraw/zinc/28/19/63/1323281963.db2.gz XWYFYHBYCKATAX-PXNSSMCTSA-N 2 2 339.483 3.368 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)cc1 ZINC000931430923 1329115714 /nfs/dbraw/zinc/11/57/14/1329115714.db2.gz SGOZSIULUQMROU-ZWKOTPCHSA-N 2 2 340.471 3.244 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@@H]4C3)n2)cc1 ZINC000931430923 1329115716 /nfs/dbraw/zinc/11/57/16/1329115716.db2.gz SGOZSIULUQMROU-ZWKOTPCHSA-N 2 2 340.471 3.244 20 0 EGADLP CC(C)c1ccc(-c2noc(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)n2)cc1 ZINC000931430923 1329115720 /nfs/dbraw/zinc/11/57/20/1329115720.db2.gz SGOZSIULUQMROU-ZWKOTPCHSA-N 2 2 340.471 3.244 20 0 EGADLP CC(C)c1ccc(-c2noc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)n2)cc1 ZINC000931430923 1329115723 /nfs/dbraw/zinc/11/57/23/1329115723.db2.gz SGOZSIULUQMROU-ZWKOTPCHSA-N 2 2 340.471 3.244 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccccc4F)n3)C[C@@H]2C1 ZINC000931434750 1329116786 /nfs/dbraw/zinc/11/67/86/1329116786.db2.gz ZSONCZLTWQMDMB-KGLIPLIRSA-N 2 2 331.460 3.333 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(-c4ccccc4F)n3)C[C@@H]2C1 ZINC000931434750 1329116789 /nfs/dbraw/zinc/11/67/89/1329116789.db2.gz ZSONCZLTWQMDMB-KGLIPLIRSA-N 2 2 331.460 3.333 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]2C1 ZINC000931434750 1329116793 /nfs/dbraw/zinc/11/67/93/1329116793.db2.gz ZSONCZLTWQMDMB-KGLIPLIRSA-N 2 2 331.460 3.333 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4F)n3)C[C@@H]2C1 ZINC000931434750 1329116795 /nfs/dbraw/zinc/11/67/95/1329116795.db2.gz ZSONCZLTWQMDMB-KGLIPLIRSA-N 2 2 331.460 3.333 20 0 EGADLP CN(C)c1ncc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c2ccccc21 ZINC000931701332 1329166779 /nfs/dbraw/zinc/16/67/79/1329166779.db2.gz ZUQZWUCVFJVSLI-UHFFFAOYSA-N 2 2 338.499 3.361 20 0 EGADLP CC[C@@H]([NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC001026612796 1324934318 /nfs/dbraw/zinc/93/43/18/1324934318.db2.gz SRLDJIOOUWTSAM-CTWPCTMYSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315831 1325100669 /nfs/dbraw/zinc/10/06/69/1325100669.db2.gz ZPSFHHJUCQDVOP-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315831 1325100677 /nfs/dbraw/zinc/10/06/77/1325100677.db2.gz ZPSFHHJUCQDVOP-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315831 1325100686 /nfs/dbraw/zinc/10/06/86/1325100686.db2.gz ZPSFHHJUCQDVOP-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315831 1325100694 /nfs/dbraw/zinc/10/06/94/1325100694.db2.gz ZPSFHHJUCQDVOP-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c[nH+]1 ZINC000925532483 1325193551 /nfs/dbraw/zinc/19/35/51/1325193551.db2.gz GVEYCDOJQHBEHQ-LEWJYISDSA-N 3 2 338.499 3.189 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000925592406 1325225280 /nfs/dbraw/zinc/22/52/80/1325225280.db2.gz GILUFFCGIMMVOM-HXUWFJFHSA-N 2 2 334.467 3.315 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621544 1325235443 /nfs/dbraw/zinc/23/54/43/1325235443.db2.gz FBYYGMRKVVJHQH-OXJNMPFZSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621544 1325235451 /nfs/dbraw/zinc/23/54/51/1325235451.db2.gz FBYYGMRKVVJHQH-OXJNMPFZSA-N 3 2 327.472 3.142 20 0 EGADLP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925643252 1325245184 /nfs/dbraw/zinc/24/51/84/1325245184.db2.gz JSGAAKHJYMSOCZ-XJKSGUPXSA-N 2 2 339.405 3.158 20 0 EGADLP c1sc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1-c1ccncc1 ZINC000925732201 1325274174 /nfs/dbraw/zinc/27/41/74/1325274174.db2.gz WSRPQXUPMTZUCG-DLBZAZTESA-N 2 2 342.512 3.463 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796937 1325306236 /nfs/dbraw/zinc/30/62/36/1325306236.db2.gz NEVGBPBIUDIPGD-VCBZYWHSSA-N 2 2 332.463 3.197 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174284 1325457399 /nfs/dbraw/zinc/45/73/99/1325457399.db2.gz QYOHUULZLKMDFJ-SMDDNHRTSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174284 1325457407 /nfs/dbraw/zinc/45/74/07/1325457407.db2.gz QYOHUULZLKMDFJ-SMDDNHRTSA-N 2 2 334.407 3.016 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C3(Cl)CC3)CC2)cc1 ZINC000926529119 1325587284 /nfs/dbraw/zinc/58/72/84/1325587284.db2.gz VIZUAFLSXRCGFN-AWEZNQCLSA-N 2 2 349.906 3.359 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598503 1327949651 /nfs/dbraw/zinc/94/96/51/1327949651.db2.gz RLCHTISMBXBTBS-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598503 1327949659 /nfs/dbraw/zinc/94/96/59/1327949659.db2.gz RLCHTISMBXBTBS-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP c1coc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N2CCCC2)c1 ZINC000863983408 1329592482 /nfs/dbraw/zinc/59/24/82/1329592482.db2.gz GZLMDIBESKBERI-DQXYTYHJSA-N 2 2 329.488 3.164 20 0 EGADLP c1coc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N2CCCC2)c1 ZINC000863983408 1329592483 /nfs/dbraw/zinc/59/24/83/1329592483.db2.gz GZLMDIBESKBERI-DQXYTYHJSA-N 2 2 329.488 3.164 20 0 EGADLP COc1cc(Cl)c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000865483343 1329703731 /nfs/dbraw/zinc/70/37/31/1329703731.db2.gz IGGLMFCEARFLGG-UONOGXRCSA-N 2 2 326.868 3.320 20 0 EGADLP Oc1cccc(C[NH+]2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)c1 ZINC000865498024 1329705689 /nfs/dbraw/zinc/70/56/89/1329705689.db2.gz XFUKBIHEWYFYTI-UHFFFAOYSA-N 2 2 337.345 3.128 20 0 EGADLP CCCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000934085790 1329945588 /nfs/dbraw/zinc/94/55/88/1329945588.db2.gz YIVMVCVNHQPWSA-KRWDZBQOSA-N 2 2 345.491 3.020 20 0 EGADLP CCCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000934085790 1329945590 /nfs/dbraw/zinc/94/55/90/1329945590.db2.gz YIVMVCVNHQPWSA-KRWDZBQOSA-N 2 2 345.491 3.020 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866596148 1330131306 /nfs/dbraw/zinc/13/13/06/1330131306.db2.gz BOCYNXVGZULSCH-KCXAZCMYSA-N 2 2 341.293 3.209 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866596148 1330131308 /nfs/dbraw/zinc/13/13/08/1330131308.db2.gz BOCYNXVGZULSCH-KCXAZCMYSA-N 2 2 341.293 3.209 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000866661965 1330138792 /nfs/dbraw/zinc/13/87/92/1330138792.db2.gz XVEMYFCFPPMHEQ-AYDFFVQHSA-N 2 2 335.879 3.035 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000866661965 1330138793 /nfs/dbraw/zinc/13/87/93/1330138793.db2.gz XVEMYFCFPPMHEQ-AYDFFVQHSA-N 2 2 335.879 3.035 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000866662145 1330138847 /nfs/dbraw/zinc/13/88/47/1330138847.db2.gz XVEMYFCFPPMHEQ-TTZDDIAXSA-N 2 2 335.879 3.035 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000866662145 1330138848 /nfs/dbraw/zinc/13/88/48/1330138848.db2.gz XVEMYFCFPPMHEQ-TTZDDIAXSA-N 2 2 335.879 3.035 20 0 EGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1 ZINC000866665813 1330139119 /nfs/dbraw/zinc/13/91/19/1330139119.db2.gz HQFMYRJZAWJUDG-LRDDRELGSA-N 2 2 344.286 3.107 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175826 1332114105 /nfs/dbraw/zinc/11/41/05/1332114105.db2.gz IQTGVJWMLOZIAK-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175826 1332114107 /nfs/dbraw/zinc/11/41/07/1332114107.db2.gz IQTGVJWMLOZIAK-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCC(C)(C)C ZINC000947540389 1333164141 /nfs/dbraw/zinc/16/41/41/1333164141.db2.gz SNYZIQIXGRMMBK-HOTGVXAUSA-N 2 2 342.487 3.353 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCC(C)(C)C ZINC000947540389 1333164144 /nfs/dbraw/zinc/16/41/44/1333164144.db2.gz SNYZIQIXGRMMBK-HOTGVXAUSA-N 2 2 342.487 3.353 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947980062 1333330584 /nfs/dbraw/zinc/33/05/84/1333330584.db2.gz NKMSEPDKBYPRGU-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947980062 1333330585 /nfs/dbraw/zinc/33/05/85/1333330585.db2.gz NKMSEPDKBYPRGU-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473420 1333539619 /nfs/dbraw/zinc/53/96/19/1333539619.db2.gz GPBRNHARTRSULV-SFHVURJKSA-N 2 2 346.519 3.206 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473420 1333539623 /nfs/dbraw/zinc/53/96/23/1333539623.db2.gz GPBRNHARTRSULV-SFHVURJKSA-N 2 2 346.519 3.206 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)c[nH+]1 ZINC000948474764 1333540616 /nfs/dbraw/zinc/54/06/16/1333540616.db2.gz YSLURVYWFMGUHY-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)c[nH+]1 ZINC000948474764 1333540619 /nfs/dbraw/zinc/54/06/19/1333540619.db2.gz YSLURVYWFMGUHY-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767541 1333669940 /nfs/dbraw/zinc/66/99/40/1333669940.db2.gz YFCPFYGOJAEQNC-DLBZAZTESA-N 2 2 344.503 3.109 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767541 1333669944 /nfs/dbraw/zinc/66/99/44/1333669944.db2.gz YFCPFYGOJAEQNC-DLBZAZTESA-N 2 2 344.503 3.109 20 0 EGADLP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614895 1334097492 /nfs/dbraw/zinc/09/74/92/1334097492.db2.gz KZMGHBDWYMLPBM-QUCCMNQESA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614895 1334097494 /nfs/dbraw/zinc/09/74/94/1334097494.db2.gz KZMGHBDWYMLPBM-QUCCMNQESA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000950704847 1334119128 /nfs/dbraw/zinc/11/91/28/1334119128.db2.gz DBYMHHDBFAXVIU-HXUWFJFHSA-N 2 2 347.547 3.140 20 0 EGADLP CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000950704847 1334119130 /nfs/dbraw/zinc/11/91/30/1334119130.db2.gz DBYMHHDBFAXVIU-HXUWFJFHSA-N 2 2 347.547 3.140 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000951103993 1334182290 /nfs/dbraw/zinc/18/22/90/1334182290.db2.gz NBFHYKWKYBMTJQ-UHFFFAOYSA-N 2 2 344.503 3.041 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC000969318194 1336199879 /nfs/dbraw/zinc/19/98/79/1336199879.db2.gz QVUMTPYRXPFPNU-QZTJIDSGSA-N 2 2 348.450 3.290 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001006341196 1336491823 /nfs/dbraw/zinc/49/18/23/1336491823.db2.gz UUQAKHVVCJLSPR-UHFFFAOYSA-N 2 2 346.519 3.010 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923023 1370912521 /nfs/dbraw/zinc/91/25/21/1370912521.db2.gz GQCJRAZQTSDQPH-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923023 1370912524 /nfs/dbraw/zinc/91/25/24/1370912524.db2.gz GQCJRAZQTSDQPH-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806759 1371175086 /nfs/dbraw/zinc/17/50/86/1371175086.db2.gz HLKWUFASJPPODR-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206806759 1371175089 /nfs/dbraw/zinc/17/50/89/1371175089.db2.gz HLKWUFASJPPODR-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@H+](C)CC3CC3)C2)c(C)[nH+]1 ZINC001017168600 1338914434 /nfs/dbraw/zinc/91/44/34/1338914434.db2.gz PSVWVOSVHQAZAN-GOSISDBHSA-N 2 2 329.488 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)[nH+]1 ZINC001017168600 1338914440 /nfs/dbraw/zinc/91/44/40/1338914440.db2.gz PSVWVOSVHQAZAN-GOSISDBHSA-N 2 2 329.488 3.201 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001029090259 1340928160 /nfs/dbraw/zinc/92/81/60/1340928160.db2.gz AFKATRAFOOSVCE-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001030313471 1341178055 /nfs/dbraw/zinc/17/80/55/1341178055.db2.gz ZCBGTFNLTMYJSZ-QGZVFWFLSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)c3ccc4c[nH+]cn4c3C)C2)c1 ZINC001030591179 1341199654 /nfs/dbraw/zinc/19/96/54/1341199654.db2.gz UILXJFUFGVYLAY-OAHLLOKOSA-N 2 2 348.450 3.126 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC001031050652 1341270300 /nfs/dbraw/zinc/27/03/00/1341270300.db2.gz SEHZHPHMBPLAIP-PXNSSMCTSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC001031050652 1341270301 /nfs/dbraw/zinc/27/03/01/1341270301.db2.gz SEHZHPHMBPLAIP-PXNSSMCTSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001033190612 1341748193 /nfs/dbraw/zinc/74/81/93/1341748193.db2.gz CKOVLVFJLFQSFN-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001033190612 1341748194 /nfs/dbraw/zinc/74/81/94/1341748194.db2.gz CKOVLVFJLFQSFN-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004216 1342141394 /nfs/dbraw/zinc/14/13/94/1342141394.db2.gz KKOJPXDYDMQZJA-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004216 1342141397 /nfs/dbraw/zinc/14/13/97/1342141397.db2.gz KKOJPXDYDMQZJA-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC001034689183 1342693368 /nfs/dbraw/zinc/69/33/68/1342693368.db2.gz MCKDYBXUBXVTCL-GWEOLNPGSA-N 2 2 340.471 3.011 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001034761668 1342742672 /nfs/dbraw/zinc/74/26/72/1342742672.db2.gz REMURJZWJNGFRJ-XMTFNYHQSA-N 2 2 346.519 3.186 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001034921057 1342837027 /nfs/dbraw/zinc/83/70/27/1342837027.db2.gz UROLEHMFNUMBIA-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001034991147 1342866948 /nfs/dbraw/zinc/86/69/48/1342866948.db2.gz QLKBWFXWCBUTHY-GOSISDBHSA-N 2 2 348.450 3.037 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035211069 1343029257 /nfs/dbraw/zinc/02/92/57/1343029257.db2.gz UDMRBRGEJXGTDA-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035211069 1343029260 /nfs/dbraw/zinc/02/92/60/1343029260.db2.gz UDMRBRGEJXGTDA-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036265318 1343385713 /nfs/dbraw/zinc/38/57/13/1343385713.db2.gz LCIJNRMCRMHEFB-WBVHZDCISA-N 2 2 346.519 3.094 20 0 EGADLP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1cccc2[nH+]ccn21 ZINC001037043262 1343945686 /nfs/dbraw/zinc/94/56/86/1343945686.db2.gz MMXZQCBLDRCZTN-SJORKVTESA-N 2 2 340.471 3.013 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001037923473 1344183096 /nfs/dbraw/zinc/18/30/96/1344183096.db2.gz BEUAWOLGISITSS-MJGOQNOKSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038418417 1344420348 /nfs/dbraw/zinc/42/03/48/1344420348.db2.gz WIFBPFSUSJQGQL-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038418417 1344420349 /nfs/dbraw/zinc/42/03/49/1344420349.db2.gz WIFBPFSUSJQGQL-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001038783871 1344582115 /nfs/dbraw/zinc/58/21/15/1344582115.db2.gz ZJTVZQPPNJUQRG-ROUUACIJSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001038783871 1344582117 /nfs/dbraw/zinc/58/21/17/1344582117.db2.gz ZJTVZQPPNJUQRG-ROUUACIJSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783871 1344582121 /nfs/dbraw/zinc/58/21/21/1344582121.db2.gz ZJTVZQPPNJUQRG-ROUUACIJSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783871 1344582123 /nfs/dbraw/zinc/58/21/23/1344582123.db2.gz ZJTVZQPPNJUQRG-ROUUACIJSA-N 2 2 349.544 3.010 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224931 1344942562 /nfs/dbraw/zinc/94/25/62/1344942562.db2.gz JGWKYBXITXPKFG-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224931 1344942563 /nfs/dbraw/zinc/94/25/63/1344942563.db2.gz JGWKYBXITXPKFG-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494343 1345519492 /nfs/dbraw/zinc/51/94/92/1345519492.db2.gz WUPSVEBPAJNKKX-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494343 1345519495 /nfs/dbraw/zinc/51/94/95/1345519495.db2.gz WUPSVEBPAJNKKX-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP CN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+](CCC2CCCCC2)C1 ZINC001043232336 1346155685 /nfs/dbraw/zinc/15/56/85/1346155685.db2.gz AAWWNTNJMWIRCT-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001044337074 1346301593 /nfs/dbraw/zinc/30/15/93/1346301593.db2.gz CEBJBYIVRRKYKR-PXNSSMCTSA-N 2 2 343.515 3.073 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001044337074 1346301596 /nfs/dbraw/zinc/30/15/96/1346301596.db2.gz CEBJBYIVRRKYKR-PXNSSMCTSA-N 2 2 343.515 3.073 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981271 1346819411 /nfs/dbraw/zinc/81/94/11/1346819411.db2.gz FBRMICIKVYLHCF-JXFKEZNVSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981271 1346819414 /nfs/dbraw/zinc/81/94/14/1346819414.db2.gz FBRMICIKVYLHCF-JXFKEZNVSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001047921726 1347410214 /nfs/dbraw/zinc/41/02/14/1347410214.db2.gz RHCLQILEWDCRFA-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)cc1 ZINC001054797413 1349464748 /nfs/dbraw/zinc/46/47/48/1349464748.db2.gz GLMQDEUQZZIGLP-QRWLVFNGSA-N 2 2 348.450 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001072029995 1355091415 /nfs/dbraw/zinc/09/14/15/1355091415.db2.gz LFPHXESTKVKDHC-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001072029995 1355091417 /nfs/dbraw/zinc/09/14/17/1355091417.db2.gz LFPHXESTKVKDHC-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001072322608 1355236488 /nfs/dbraw/zinc/23/64/88/1355236488.db2.gz LRHSZIXLSONXCR-LIRRHRJNSA-N 2 2 343.515 3.495 20 0 EGADLP C[N@H+](C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC001074087201 1356075333 /nfs/dbraw/zinc/07/53/33/1356075333.db2.gz YYTPSWKEGVLPJZ-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC001074087201 1356075336 /nfs/dbraw/zinc/07/53/36/1356075336.db2.gz YYTPSWKEGVLPJZ-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC001075461574 1356394772 /nfs/dbraw/zinc/39/47/72/1356394772.db2.gz LHWVQTCKGLGIMO-MRXNPFEDSA-N 2 2 346.519 3.048 20 0 EGADLP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC001075461574 1356394774 /nfs/dbraw/zinc/39/47/74/1356394774.db2.gz LHWVQTCKGLGIMO-MRXNPFEDSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001183496240 1387313410 /nfs/dbraw/zinc/31/34/10/1387313410.db2.gz LOKASBGMDUPIEZ-RTBURBONSA-N 2 2 344.503 3.161 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001085856314 1358824567 /nfs/dbraw/zinc/82/45/67/1358824567.db2.gz WJOXAUJXRHYITG-MSOLQXFVSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001085856314 1358824571 /nfs/dbraw/zinc/82/45/71/1358824571.db2.gz WJOXAUJXRHYITG-MSOLQXFVSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001085856314 1358824574 /nfs/dbraw/zinc/82/45/74/1358824574.db2.gz WJOXAUJXRHYITG-MSOLQXFVSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001085856314 1358824578 /nfs/dbraw/zinc/82/45/78/1358824578.db2.gz WJOXAUJXRHYITG-MSOLQXFVSA-N 2 2 349.544 3.044 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)c(C)[nH+]1 ZINC001086154873 1359010542 /nfs/dbraw/zinc/01/05/42/1359010542.db2.gz CKLIBXGTUWXNIT-CALCHBBNSA-N 2 2 343.496 3.367 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948106 1359269604 /nfs/dbraw/zinc/26/96/04/1359269604.db2.gz PWRCWOPCSPTOHE-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948106 1359269608 /nfs/dbraw/zinc/26/96/08/1359269608.db2.gz PWRCWOPCSPTOHE-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088354945 1359838754 /nfs/dbraw/zinc/83/87/54/1359838754.db2.gz JYBFTAOXSKRLGF-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184264892 1387421484 /nfs/dbraw/zinc/42/14/84/1387421484.db2.gz LYCZZHCNZOBWRP-CQSZACIVSA-N 2 2 337.895 3.379 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184264892 1387421485 /nfs/dbraw/zinc/42/14/85/1387421485.db2.gz LYCZZHCNZOBWRP-CQSZACIVSA-N 2 2 337.895 3.379 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088418504 1359888939 /nfs/dbraw/zinc/88/89/39/1359888939.db2.gz QLGWBSQLLQRXRO-SFHVURJKSA-N 2 2 344.503 3.122 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955477 1360113276 /nfs/dbraw/zinc/11/32/76/1360113276.db2.gz SLYMILFSIZWSNV-APWZRJJASA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955477 1360113280 /nfs/dbraw/zinc/11/32/80/1360113280.db2.gz SLYMILFSIZWSNV-APWZRJJASA-N 2 2 340.471 3.111 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089185774 1360236531 /nfs/dbraw/zinc/23/65/31/1360236531.db2.gz LGTMXBYUQCHPBR-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089185774 1360236534 /nfs/dbraw/zinc/23/65/34/1360236534.db2.gz LGTMXBYUQCHPBR-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089185774 1360236539 /nfs/dbraw/zinc/23/65/39/1360236539.db2.gz LGTMXBYUQCHPBR-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089185774 1360236545 /nfs/dbraw/zinc/23/65/45/1360236545.db2.gz LGTMXBYUQCHPBR-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416048 1360410445 /nfs/dbraw/zinc/41/04/45/1360410445.db2.gz GBAPDCUGCXGDSF-QGZVFWFLSA-N 2 2 347.503 3.040 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416048 1360410446 /nfs/dbraw/zinc/41/04/46/1360410446.db2.gz GBAPDCUGCXGDSF-QGZVFWFLSA-N 2 2 347.503 3.040 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[N@H+](CC2CC2)C1 ZINC001089659330 1360570329 /nfs/dbraw/zinc/57/03/29/1360570329.db2.gz YAGSMADYPDAKJW-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[N@@H+](CC2CC2)C1 ZINC001089659330 1360570333 /nfs/dbraw/zinc/57/03/33/1360570333.db2.gz YAGSMADYPDAKJW-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001089719914 1360622666 /nfs/dbraw/zinc/62/26/66/1360622666.db2.gz MPVDMJSONOVUQG-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001089719914 1360622671 /nfs/dbraw/zinc/62/26/71/1360622671.db2.gz MPVDMJSONOVUQG-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)C2)c(C)[nH+]1 ZINC001184453123 1387464583 /nfs/dbraw/zinc/46/45/83/1387464583.db2.gz FFBXIAWGOYAWEG-GOSISDBHSA-N 2 2 329.488 3.391 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2CC([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001091154670 1360999217 /nfs/dbraw/zinc/99/92/17/1360999217.db2.gz LULWRRDHBGMWOA-UHFFFAOYSA-N 2 2 329.488 3.295 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184800552 1387543008 /nfs/dbraw/zinc/54/30/08/1387543008.db2.gz XBZGTBGBHSBKRR-IRXDYDNUSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)[C@@H](C)C2)c(C)[nH+]1 ZINC001184852231 1387549522 /nfs/dbraw/zinc/54/95/22/1387549522.db2.gz UOSZTAXIXAMTFK-XNNRTHFOSA-N 2 2 349.906 3.447 20 0 EGADLP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097318494 1362929319 /nfs/dbraw/zinc/92/93/19/1362929319.db2.gz QTPGSBDAQLIDAJ-KURKYZTESA-N 2 2 346.519 3.084 20 0 EGADLP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001097318494 1362929322 /nfs/dbraw/zinc/92/93/22/1362929322.db2.gz QTPGSBDAQLIDAJ-KURKYZTESA-N 2 2 346.519 3.084 20 0 EGADLP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001098814393 1363479246 /nfs/dbraw/zinc/47/92/46/1363479246.db2.gz PNBULOLITXXYHZ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049306 1363594140 /nfs/dbraw/zinc/59/41/40/1363594140.db2.gz REYJLXOICXMJDY-KEGWNNHHSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049306 1363594143 /nfs/dbraw/zinc/59/41/43/1363594143.db2.gz REYJLXOICXMJDY-KEGWNNHHSA-N 2 2 346.519 3.305 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106289 1363624955 /nfs/dbraw/zinc/62/49/55/1363624955.db2.gz CQRMMNYAZXBTAI-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106289 1363624957 /nfs/dbraw/zinc/62/49/57/1363624957.db2.gz CQRMMNYAZXBTAI-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106289 1363624959 /nfs/dbraw/zinc/62/49/59/1363624959.db2.gz CQRMMNYAZXBTAI-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106289 1363624960 /nfs/dbraw/zinc/62/49/60/1363624960.db2.gz CQRMMNYAZXBTAI-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106476 1363625147 /nfs/dbraw/zinc/62/51/47/1363625147.db2.gz GSXOAWKSLWURBN-XFHJGTJQSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106476 1363625152 /nfs/dbraw/zinc/62/51/52/1363625152.db2.gz GSXOAWKSLWURBN-XFHJGTJQSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106476 1363625154 /nfs/dbraw/zinc/62/51/54/1363625154.db2.gz GSXOAWKSLWURBN-XFHJGTJQSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106476 1363625158 /nfs/dbraw/zinc/62/51/58/1363625158.db2.gz GSXOAWKSLWURBN-XFHJGTJQSA-N 2 2 346.519 3.305 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099310597 1363743946 /nfs/dbraw/zinc/74/39/46/1363743946.db2.gz QPRPIUGHLBKODX-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099310597 1363743949 /nfs/dbraw/zinc/74/39/49/1363743949.db2.gz QPRPIUGHLBKODX-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324359 1363751004 /nfs/dbraw/zinc/75/10/04/1363751004.db2.gz KWDUVXZANUELNX-KRWDZBQOSA-N 2 2 348.535 3.448 20 0 EGADLP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324359 1363751007 /nfs/dbraw/zinc/75/10/07/1363751007.db2.gz KWDUVXZANUELNX-KRWDZBQOSA-N 2 2 348.535 3.448 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360125 1363772274 /nfs/dbraw/zinc/77/22/74/1363772274.db2.gz VXDKGGGXOXVWNX-MSOLQXFVSA-N 2 2 348.535 3.172 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360125 1363772278 /nfs/dbraw/zinc/77/22/78/1363772278.db2.gz VXDKGGGXOXVWNX-MSOLQXFVSA-N 2 2 348.535 3.172 20 0 EGADLP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001100332026 1364081565 /nfs/dbraw/zinc/08/15/65/1364081565.db2.gz VBOKCJKOQMJSBQ-PLNGDYQASA-N 2 2 340.471 3.097 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001100428666 1364110500 /nfs/dbraw/zinc/11/05/00/1364110500.db2.gz FMXSLNYGLQMHGF-ACBHZAAOSA-N 2 2 346.519 3.145 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429795 1364560056 /nfs/dbraw/zinc/56/00/56/1364560056.db2.gz AFUYRXWAHLAVHT-UZLBHIALSA-N 2 2 346.519 3.048 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101429795 1364560059 /nfs/dbraw/zinc/56/00/59/1364560059.db2.gz AFUYRXWAHLAVHT-UZLBHIALSA-N 2 2 346.519 3.048 20 0 EGADLP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001101579601 1364631942 /nfs/dbraw/zinc/63/19/42/1364631942.db2.gz NTGVWWXCCATBEU-INIZCTEOSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581233 1364634371 /nfs/dbraw/zinc/63/43/71/1364634371.db2.gz OZUSAHNJEJFJHP-INIZCTEOSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581233 1364634375 /nfs/dbraw/zinc/63/43/75/1364634375.db2.gz OZUSAHNJEJFJHP-INIZCTEOSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584311 1364635959 /nfs/dbraw/zinc/63/59/59/1364635959.db2.gz LEVPSWOFKJEVFB-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598464 1364648609 /nfs/dbraw/zinc/64/86/09/1364648609.db2.gz OCKNZKMARSITHV-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073461 1364838066 /nfs/dbraw/zinc/83/80/66/1364838066.db2.gz ZUNLTERBTBUOJA-QRVBRYPASA-N 2 2 348.535 3.345 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073461 1364838072 /nfs/dbraw/zinc/83/80/72/1364838072.db2.gz ZUNLTERBTBUOJA-QRVBRYPASA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073272 1364838135 /nfs/dbraw/zinc/83/81/35/1364838135.db2.gz PZWFJQFGKZWIFY-GUDVDZBRSA-N 2 2 348.535 3.201 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073272 1364838137 /nfs/dbraw/zinc/83/81/37/1364838137.db2.gz PZWFJQFGKZWIFY-GUDVDZBRSA-N 2 2 348.535 3.201 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290529 1365475739 /nfs/dbraw/zinc/47/57/39/1365475739.db2.gz UQFKHASHFCASIH-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290529 1365475740 /nfs/dbraw/zinc/47/57/40/1365475740.db2.gz UQFKHASHFCASIH-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570596 1366537653 /nfs/dbraw/zinc/53/76/53/1366537653.db2.gz VTWSEOHEBHVFPT-QGZVFWFLSA-N 2 2 344.503 3.059 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710265 1366777801 /nfs/dbraw/zinc/77/78/01/1366777801.db2.gz DGZJZOURXNSDLR-KZNAEPCWSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651874 1367094329 /nfs/dbraw/zinc/09/43/29/1367094329.db2.gz LZHHBDLZRKWGLL-UYAOXDASSA-N 2 2 346.519 3.214 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651874 1367094333 /nfs/dbraw/zinc/09/43/33/1367094333.db2.gz LZHHBDLZRKWGLL-UYAOXDASSA-N 2 2 346.519 3.214 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699536 1367540588 /nfs/dbraw/zinc/54/05/88/1367540588.db2.gz FBDGARJBUWSVGJ-PMSLMXJFSA-N 2 2 344.503 3.058 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699536 1367540594 /nfs/dbraw/zinc/54/05/94/1367540594.db2.gz FBDGARJBUWSVGJ-PMSLMXJFSA-N 2 2 344.503 3.058 20 0 EGADLP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108836457 1367627928 /nfs/dbraw/zinc/62/79/28/1367627928.db2.gz VAAPYSIYYLDVLB-BZSNNMDCSA-N 2 2 346.519 3.069 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577267 1367822803 /nfs/dbraw/zinc/82/28/03/1367822803.db2.gz FASHYIZIWQOPBF-PLQXZHKYSA-N 2 2 332.492 3.113 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577267 1367822806 /nfs/dbraw/zinc/82/28/06/1367822806.db2.gz FASHYIZIWQOPBF-PLQXZHKYSA-N 2 2 332.492 3.113 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462100 1368034999 /nfs/dbraw/zinc/03/49/99/1368034999.db2.gz KRZABZMJGXTSNM-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462100 1368035004 /nfs/dbraw/zinc/03/50/04/1368035004.db2.gz KRZABZMJGXTSNM-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111078308 1368153366 /nfs/dbraw/zinc/15/33/66/1368153366.db2.gz SAUBMSLULKAGRN-MLHJIOFPSA-N 2 2 332.492 3.136 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111078308 1368153371 /nfs/dbraw/zinc/15/33/71/1368153371.db2.gz SAUBMSLULKAGRN-MLHJIOFPSA-N 2 2 332.492 3.136 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496870 1368320737 /nfs/dbraw/zinc/32/07/37/1368320737.db2.gz IXMKCXVNOPMDSN-KSULIHCOSA-N 2 2 344.503 3.131 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496870 1368320741 /nfs/dbraw/zinc/32/07/41/1368320741.db2.gz IXMKCXVNOPMDSN-KSULIHCOSA-N 2 2 344.503 3.131 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001112991911 1369126141 /nfs/dbraw/zinc/12/61/41/1369126141.db2.gz YXTXNUAAADQWST-IBGZPJMESA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355952 1369366574 /nfs/dbraw/zinc/36/65/74/1369366574.db2.gz YPHMIWGWBQQXDE-INIZCTEOSA-N 2 2 349.494 3.009 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355952 1369366582 /nfs/dbraw/zinc/36/65/82/1369366582.db2.gz YPHMIWGWBQQXDE-INIZCTEOSA-N 2 2 349.494 3.009 20 0 EGADLP C[NH+](C)[C@]1(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872951 1369441731 /nfs/dbraw/zinc/44/17/31/1369441731.db2.gz XVBFXLKPECWDRJ-QUCCMNQESA-N 2 2 347.572 3.066 20 0 EGADLP C[NH+](C)[C@]1(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872951 1369441735 /nfs/dbraw/zinc/44/17/35/1369441735.db2.gz XVBFXLKPECWDRJ-QUCCMNQESA-N 2 2 347.572 3.066 20 0 EGADLP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529187 1369479717 /nfs/dbraw/zinc/47/97/17/1369479717.db2.gz HVKLQMMIKBKVSM-PXDRNWIDSA-N 2 2 343.515 3.180 20 0 EGADLP CC/C=C\CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529187 1369479718 /nfs/dbraw/zinc/47/97/18/1369479718.db2.gz HVKLQMMIKBKVSM-PXDRNWIDSA-N 2 2 343.515 3.180 20 0 EGADLP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183050 1369492277 /nfs/dbraw/zinc/49/22/77/1369492277.db2.gz SBNXYVBQBUYWOT-UEKDZROGSA-N 2 2 346.519 3.407 20 0 EGADLP COc1[nH+]ccc(N)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474315 1369552812 /nfs/dbraw/zinc/55/28/12/1369552812.db2.gz DZOLAJJAXUGSSD-SJORKVTESA-N 2 2 336.439 3.405 20 0 EGADLP C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)O1 ZINC001202690728 1369852725 /nfs/dbraw/zinc/85/27/25/1369852725.db2.gz CLFTXIKCPJNKMX-ZBFHGGJFSA-N 2 2 349.862 3.273 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001203069003 1369972325 /nfs/dbraw/zinc/97/23/25/1369972325.db2.gz JRILUBQUJRKADC-SJORKVTESA-N 2 2 346.519 3.134 20 0 EGADLP CCc1[nH]c(CN2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c(C)[nH+]1 ZINC001203238165 1370035748 /nfs/dbraw/zinc/03/57/48/1370035748.db2.gz KWOZCADJKGPUGT-RTBURBONSA-N 2 2 338.499 3.153 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)cc1Cl ZINC001203395295 1370110902 /nfs/dbraw/zinc/11/09/02/1370110902.db2.gz TYAFREIZJRIODB-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)cc1Cl ZINC001203395295 1370110903 /nfs/dbraw/zinc/11/09/03/1370110903.db2.gz TYAFREIZJRIODB-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203867731 1370294767 /nfs/dbraw/zinc/29/47/67/1370294767.db2.gz IUBLHSZAIVSDSE-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203867731 1370294772 /nfs/dbraw/zinc/29/47/72/1370294772.db2.gz IUBLHSZAIVSDSE-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203867731 1370294778 /nfs/dbraw/zinc/29/47/78/1370294778.db2.gz IUBLHSZAIVSDSE-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203867731 1370294781 /nfs/dbraw/zinc/29/47/81/1370294781.db2.gz IUBLHSZAIVSDSE-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP Cc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001203890410 1370300925 /nfs/dbraw/zinc/30/09/25/1370300925.db2.gz IHRVDJLCQFKBKX-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP Cc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001203890410 1370300929 /nfs/dbraw/zinc/30/09/29/1370300929.db2.gz IHRVDJLCQFKBKX-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001203922687 1370316467 /nfs/dbraw/zinc/31/64/67/1370316467.db2.gz DUNVOYSQXGTLAI-UHFFFAOYSA-N 2 2 325.412 3.083 20 0 EGADLP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001204012664 1370346914 /nfs/dbraw/zinc/34/69/14/1370346914.db2.gz JEEIEPQNSVOAGN-UHFFFAOYSA-N 2 2 332.469 3.208 20 0 EGADLP c1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001204012664 1370346915 /nfs/dbraw/zinc/34/69/15/1370346915.db2.gz JEEIEPQNSVOAGN-UHFFFAOYSA-N 2 2 332.469 3.208 20 0 EGADLP c1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc2c1OCC2 ZINC001204489172 1370490042 /nfs/dbraw/zinc/49/00/42/1370490042.db2.gz IDFIFJNBZSVYQB-UHFFFAOYSA-N 2 2 326.484 3.462 20 0 EGADLP c1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc2c1OCC2 ZINC001204489172 1370490045 /nfs/dbraw/zinc/49/00/45/1370490045.db2.gz IDFIFJNBZSVYQB-UHFFFAOYSA-N 2 2 326.484 3.462 20 0 EGADLP CC(C)CC(=O)OCc1cocc2c(C[N@@H+]3CCC[NH2+]CC3)ccc1-2 ZINC001204683788 1370545173 /nfs/dbraw/zinc/54/51/73/1370545173.db2.gz AAZKGHXSJPCSPS-UHFFFAOYSA-N 2 2 344.455 3.269 20 0 EGADLP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3CCC[NH2+]CC3)ccc1-2 ZINC001204683788 1370545176 /nfs/dbraw/zinc/54/51/76/1370545176.db2.gz AAZKGHXSJPCSPS-UHFFFAOYSA-N 2 2 344.455 3.269 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318832 1370720801 /nfs/dbraw/zinc/72/08/01/1370720801.db2.gz WXGZFVKSPOIHIJ-JQWIXIFHSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318832 1370720809 /nfs/dbraw/zinc/72/08/09/1370720809.db2.gz WXGZFVKSPOIHIJ-JQWIXIFHSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Br)cc1F ZINC001205318123 1370719660 /nfs/dbraw/zinc/71/96/60/1370719660.db2.gz RWCGACYLIIBYCP-GWCFXTLKSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Br)cc1F ZINC001205318123 1370719667 /nfs/dbraw/zinc/71/96/67/1370719667.db2.gz RWCGACYLIIBYCP-GWCFXTLKSA-N 2 2 329.257 3.313 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2sccc2Cl)CC1 ZINC001205339912 1370725888 /nfs/dbraw/zinc/72/58/88/1370725888.db2.gz SXBWABRWILXZFH-UHFFFAOYSA-N 2 2 329.941 3.251 20 0 EGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001205411949 1370747283 /nfs/dbraw/zinc/74/72/83/1370747283.db2.gz STTUULMLBKFQSV-VQTJNVASSA-N 2 2 348.531 3.318 20 0 EGADLP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001205411949 1370747289 /nfs/dbraw/zinc/74/72/89/1370747289.db2.gz STTUULMLBKFQSV-VQTJNVASSA-N 2 2 348.531 3.318 20 0 EGADLP CC(C)CCC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521801 1370780260 /nfs/dbraw/zinc/78/02/60/1370780260.db2.gz IKIMUUZBTQKIGF-UHFFFAOYSA-N 2 2 342.487 3.441 20 0 EGADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205777918 1370867039 /nfs/dbraw/zinc/86/70/39/1370867039.db2.gz DIOVDGLVCIFAJB-GFCCVEGCSA-N 2 2 338.320 3.310 20 0 EGADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205777918 1370867043 /nfs/dbraw/zinc/86/70/43/1370867043.db2.gz DIOVDGLVCIFAJB-GFCCVEGCSA-N 2 2 338.320 3.310 20 0 EGADLP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC001205841555 1370890306 /nfs/dbraw/zinc/89/03/06/1370890306.db2.gz SFNZZAZDWAYJJO-ULQDDVLXSA-N 2 2 341.540 3.484 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1F ZINC001205913012 1370908763 /nfs/dbraw/zinc/90/87/63/1370908763.db2.gz GBSDBWQAMAZDNF-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1F ZINC001205913012 1370908766 /nfs/dbraw/zinc/90/87/66/1370908766.db2.gz GBSDBWQAMAZDNF-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206285885 1371013357 /nfs/dbraw/zinc/01/33/57/1371013357.db2.gz PEASASWLQRQYHQ-MRXNPFEDSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206285885 1371013361 /nfs/dbraw/zinc/01/33/61/1371013361.db2.gz PEASASWLQRQYHQ-MRXNPFEDSA-N 2 2 334.467 3.351 20 0 EGADLP CC(C)CCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206427165 1371050760 /nfs/dbraw/zinc/05/07/60/1371050760.db2.gz ACWFXMLNNFBWQD-QGZVFWFLSA-N 2 2 334.508 3.099 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(C[NH+](C)C)c1 ZINC001206511122 1371078630 /nfs/dbraw/zinc/07/86/30/1371078630.db2.gz WPSPOMHHGKDWAB-UHFFFAOYSA-N 2 2 340.467 3.256 20 0 EGADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CCc2ccc(Cl)cc21 ZINC001206530185 1371084980 /nfs/dbraw/zinc/08/49/80/1371084980.db2.gz OSCHKLLWIWKSHD-CYBMUJFWSA-N 2 2 332.879 3.301 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CCc2ccc(Cl)cc21 ZINC001206530185 1371084985 /nfs/dbraw/zinc/08/49/85/1371084985.db2.gz OSCHKLLWIWKSHD-CYBMUJFWSA-N 2 2 332.879 3.301 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622850 1371111539 /nfs/dbraw/zinc/11/15/39/1371111539.db2.gz HUICBJPFZYYBOP-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622850 1371111541 /nfs/dbraw/zinc/11/15/41/1371111541.db2.gz HUICBJPFZYYBOP-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(Br)cc1F ZINC001206641102 1371116462 /nfs/dbraw/zinc/11/64/62/1371116462.db2.gz TUVBHDJPBZKAMM-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(Br)cc1F ZINC001206641102 1371116465 /nfs/dbraw/zinc/11/64/65/1371116465.db2.gz TUVBHDJPBZKAMM-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP CC1(C[NH3+])C[NH+](Cc2cnccc2-c2cccc(Br)c2)C1 ZINC001206717951 1371143730 /nfs/dbraw/zinc/14/37/30/1371143730.db2.gz HYBUQDCQNHWSSW-UHFFFAOYSA-N 2 2 346.272 3.292 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1c(F)cccc1N1CC[NH+](C)CC1 ZINC001206754948 1371154891 /nfs/dbraw/zinc/15/48/91/1371154891.db2.gz SODMZJWMXUJZHC-UHFFFAOYSA-N 2 2 343.450 3.091 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001206970807 1371252354 /nfs/dbraw/zinc/25/23/54/1371252354.db2.gz JXTFWVMVZORWIR-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP C(C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1)C1CCCCC1 ZINC001207262578 1371345304 /nfs/dbraw/zinc/34/53/04/1371345304.db2.gz ONFNJTSHVJVIDV-UHFFFAOYSA-N 2 2 345.535 3.093 20 0 EGADLP C(C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1)C1CCCCC1 ZINC001207262578 1371345309 /nfs/dbraw/zinc/34/53/09/1371345309.db2.gz ONFNJTSHVJVIDV-UHFFFAOYSA-N 2 2 345.535 3.093 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001207274376 1371346491 /nfs/dbraw/zinc/34/64/91/1371346491.db2.gz BMZHUNBUBKEPGG-UHFFFAOYSA-N 2 2 343.437 3.415 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(F)cc1)[C@@H]2C ZINC001207514173 1371422104 /nfs/dbraw/zinc/42/21/04/1371422104.db2.gz VSACDLVHQYCAAU-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(F)cc1)[C@@H]2C ZINC001207514173 1371422106 /nfs/dbraw/zinc/42/21/06/1371422106.db2.gz VSACDLVHQYCAAU-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccc(F)cc1)[C@@H]2C ZINC001207514173 1371422109 /nfs/dbraw/zinc/42/21/09/1371422109.db2.gz VSACDLVHQYCAAU-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccc(F)cc1)[C@@H]2C ZINC001207514173 1371422111 /nfs/dbraw/zinc/42/21/11/1371422111.db2.gz VSACDLVHQYCAAU-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnn(C3CCC3)c2)[nH+]1 ZINC001119937025 1371426719 /nfs/dbraw/zinc/42/67/19/1371426719.db2.gz QBBPJSQEXILNHZ-SFHVURJKSA-N 2 2 325.460 3.388 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnn(C3CCC3)c2)[nH+]1 ZINC001119937025 1371426722 /nfs/dbraw/zinc/42/67/22/1371426722.db2.gz QBBPJSQEXILNHZ-SFHVURJKSA-N 2 2 325.460 3.388 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120085836 1371482459 /nfs/dbraw/zinc/48/24/59/1371482459.db2.gz ZJXSBGACVKUCIL-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001207946324 1371546150 /nfs/dbraw/zinc/54/61/50/1371546150.db2.gz FBMOFTACXYLQMV-WOJBJXKFSA-N 2 2 339.483 3.370 20 0 EGADLP Cc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001207946324 1371546153 /nfs/dbraw/zinc/54/61/53/1371546153.db2.gz FBMOFTACXYLQMV-WOJBJXKFSA-N 2 2 339.483 3.370 20 0 EGADLP Cc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001207946324 1371546160 /nfs/dbraw/zinc/54/61/60/1371546160.db2.gz FBMOFTACXYLQMV-WOJBJXKFSA-N 2 2 339.483 3.370 20 0 EGADLP Cc1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001207946324 1371546165 /nfs/dbraw/zinc/54/61/65/1371546165.db2.gz FBMOFTACXYLQMV-WOJBJXKFSA-N 2 2 339.483 3.370 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208049885 1371580166 /nfs/dbraw/zinc/58/01/66/1371580166.db2.gz RTQRAIAURQIOBS-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208110858 1371598009 /nfs/dbraw/zinc/59/80/09/1371598009.db2.gz HTAYATCJBMDVDR-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208110858 1371598012 /nfs/dbraw/zinc/59/80/12/1371598012.db2.gz HTAYATCJBMDVDR-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208205924 1371646348 /nfs/dbraw/zinc/64/63/48/1371646348.db2.gz CMIMRVMGZDLAII-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208205924 1371646356 /nfs/dbraw/zinc/64/63/56/1371646356.db2.gz CMIMRVMGZDLAII-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387157 1371746669 /nfs/dbraw/zinc/74/66/69/1371746669.db2.gz OGCUIUXAZZJHOR-RTBURBONSA-N 2 2 348.535 3.487 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421206 1371762033 /nfs/dbraw/zinc/76/20/33/1371762033.db2.gz ZGXAMHQBLBDHMH-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421207 1371762060 /nfs/dbraw/zinc/76/20/60/1371762060.db2.gz ZGXAMHQBLBDHMH-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](CCCc3ccccc3Br)C[C@H]2C1 ZINC001208847926 1371916028 /nfs/dbraw/zinc/91/60/28/1371916028.db2.gz IHELZRUFSOZQLE-HZPDHXFCSA-N 2 2 337.305 3.265 20 0 EGADLP COC(=O)C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941190 1371955824 /nfs/dbraw/zinc/95/58/24/1371955824.db2.gz YGRKQZSSTGUOMT-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP COC(=O)C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941190 1371955827 /nfs/dbraw/zinc/95/58/27/1371955827.db2.gz YGRKQZSSTGUOMT-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP COC(=O)C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941190 1371955830 /nfs/dbraw/zinc/95/58/30/1371955830.db2.gz YGRKQZSSTGUOMT-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP COC(=O)C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941190 1371955835 /nfs/dbraw/zinc/95/58/35/1371955835.db2.gz YGRKQZSSTGUOMT-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849276 1372101930 /nfs/dbraw/zinc/10/19/30/1372101930.db2.gz YUZDTGKBSGAWMM-WIOLVWRCSA-N 2 2 346.519 3.287 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncs3)C[C@@H]21 ZINC001209549457 1372134112 /nfs/dbraw/zinc/13/41/12/1372134112.db2.gz USICJKNUXTWPJM-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncs3)C[C@@H]21 ZINC001209549457 1372134115 /nfs/dbraw/zinc/13/41/15/1372134115.db2.gz USICJKNUXTWPJM-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC001209549457 1372134116 /nfs/dbraw/zinc/13/41/16/1372134116.db2.gz USICJKNUXTWPJM-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC001209549457 1372134119 /nfs/dbraw/zinc/13/41/19/1372134119.db2.gz USICJKNUXTWPJM-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209568546 1372139030 /nfs/dbraw/zinc/13/90/30/1372139030.db2.gz NNWANSHEYOGGNC-CVEARBPZSA-N 2 2 346.519 3.237 20 0 EGADLP COc1cc(Nc2c[nH+]c(C)c(N)c2)ccc1OCC[NH+]1CCCC1 ZINC001210292878 1372315999 /nfs/dbraw/zinc/31/59/99/1372315999.db2.gz AZVXOQISYGJUFR-UHFFFAOYSA-N 2 2 342.443 3.199 20 0 EGADLP Cc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]c2ccccc12 ZINC001326450752 1388195790 /nfs/dbraw/zinc/19/57/90/1388195790.db2.gz BVEXTMXCNBPPJS-UHFFFAOYSA-N 2 2 339.483 3.482 20 0 EGADLP CCCc1ccc(-c2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)cc1 ZINC001211755688 1372612258 /nfs/dbraw/zinc/61/22/58/1372612258.db2.gz ZKDITAQAZPOTSZ-OALUTQOASA-N 2 2 348.450 3.370 20 0 EGADLP CC[N@H+](C)c1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2OC)cc1 ZINC001213907062 1372978300 /nfs/dbraw/zinc/97/83/00/1372978300.db2.gz ZLMPZZVLQNMRRV-UHFFFAOYSA-N 2 2 340.471 3.305 20 0 EGADLP CC[N@@H+](C)c1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2OC)cc1 ZINC001213907062 1372978303 /nfs/dbraw/zinc/97/83/03/1372978303.db2.gz ZLMPZZVLQNMRRV-UHFFFAOYSA-N 2 2 340.471 3.305 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC[C@@H]3CCC[C@@H](C)C3)ccn12 ZINC001127298782 1373113247 /nfs/dbraw/zinc/11/32/47/1373113247.db2.gz FYJPBRCXEISDIV-WBVHZDCISA-N 2 2 342.487 3.179 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@@H](C)c2ccccc2Cl)c[nH+]1 ZINC001130166290 1373467210 /nfs/dbraw/zinc/46/72/10/1373467210.db2.gz FGZLRCYKQYCEGV-AWEZNQCLSA-N 2 2 348.878 3.047 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001130268991 1373481951 /nfs/dbraw/zinc/48/19/51/1373481951.db2.gz SOUPTQJUZOQFJD-OAHLLOKOSA-N 2 2 336.439 3.260 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCCC(F)(F)F)c(C)[nH+]1 ZINC001131560176 1373720816 /nfs/dbraw/zinc/72/08/16/1373720816.db2.gz APDCSEBVPREXFH-UHFFFAOYSA-N 2 2 331.382 3.059 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]C[C@H]2CCCC(F)(F)C2)c(C)[nH+]1 ZINC001131560545 1373721954 /nfs/dbraw/zinc/72/19/54/1373721954.db2.gz SOLGQIRDKBBVHB-HNNXBMFYSA-N 2 2 339.430 3.152 20 0 EGADLP Fc1c(Br)cc(Cl)cc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222207707 1373820701 /nfs/dbraw/zinc/82/07/01/1373820701.db2.gz DWAQHLINZIBKDQ-UHFFFAOYSA-N 2 2 347.659 3.427 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222259769 1373821763 /nfs/dbraw/zinc/82/17/63/1373821763.db2.gz YXGYDBBNGSPABO-OAQYLSRUSA-N 2 2 337.467 3.475 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222259769 1373821767 /nfs/dbraw/zinc/82/17/67/1373821767.db2.gz YXGYDBBNGSPABO-OAQYLSRUSA-N 2 2 337.467 3.475 20 0 EGADLP Cc1ccccc1C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001326844395 1388327818 /nfs/dbraw/zinc/32/78/18/1388327818.db2.gz PAHLWWJCIULCOO-UHFFFAOYSA-N 2 2 348.450 3.314 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)n1cc[nH+]c1 ZINC001326890387 1388341262 /nfs/dbraw/zinc/34/12/62/1388341262.db2.gz PHYWERJFPPLAGQ-QGZVFWFLSA-N 2 2 346.519 3.433 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC1CCC1 ZINC001132545548 1375452337 /nfs/dbraw/zinc/45/23/37/1375452337.db2.gz CGFKYSOOFKRWEP-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC1CCC1 ZINC001132545548 1375452338 /nfs/dbraw/zinc/45/23/38/1375452338.db2.gz CGFKYSOOFKRWEP-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001132782616 1375560440 /nfs/dbraw/zinc/56/04/40/1375560440.db2.gz POYZNDIYZLIKIT-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919035 1375643361 /nfs/dbraw/zinc/64/33/61/1375643361.db2.gz CDCZEEKBTZGADM-DOTOQJQBSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919933 1375645007 /nfs/dbraw/zinc/64/50/07/1375645007.db2.gz OYNLQWTWQGEMPV-AEFFLSMTSA-N 2 2 348.535 3.191 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001132921400 1375645870 /nfs/dbraw/zinc/64/58/70/1375645870.db2.gz YUHGIMRXKZZBBB-LDOQWONVSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+](CCC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001229385040 1375824193 /nfs/dbraw/zinc/82/41/93/1375824193.db2.gz OJLHQNBMBBMEHS-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001229466240 1375841348 /nfs/dbraw/zinc/84/13/48/1375841348.db2.gz WMMGXOMUMAQDDG-RTBURBONSA-N 2 2 340.471 3.303 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133272498 1375887978 /nfs/dbraw/zinc/88/79/78/1375887978.db2.gz ZPIVYBYCOSBRFC-NVXWUHKLSA-N 2 2 348.535 3.161 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1nc(Cl)ccc1Br)CC2 ZINC001232060597 1376393605 /nfs/dbraw/zinc/39/36/05/1376393605.db2.gz CNNBOYNGGYUMCH-UHFFFAOYSA-N 2 2 344.684 3.025 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC001232250711 1376424729 /nfs/dbraw/zinc/42/47/29/1376424729.db2.gz BYLWCNGGDVAAKA-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC001232250711 1376424730 /nfs/dbraw/zinc/42/47/30/1376424730.db2.gz BYLWCNGGDVAAKA-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)s1 ZINC001134228389 1376424877 /nfs/dbraw/zinc/42/48/77/1376424877.db2.gz ODNOVRMJCPJAJJ-CHWSQXEVSA-N 2 2 348.516 3.094 20 0 EGADLP Cc1cc(O)cc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001232881950 1376529957 /nfs/dbraw/zinc/52/99/57/1376529957.db2.gz RWXUWHFPQQHSIS-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP Cc1cc(O)cc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001232881950 1376529959 /nfs/dbraw/zinc/52/99/59/1376529959.db2.gz RWXUWHFPQQHSIS-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP Cc1cc(O)cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001232881950 1376529962 /nfs/dbraw/zinc/52/99/62/1376529962.db2.gz RWXUWHFPQQHSIS-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP Cc1cc(O)cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001232881950 1376529967 /nfs/dbraw/zinc/52/99/67/1376529967.db2.gz RWXUWHFPQQHSIS-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)nc2)C1 ZINC001232957022 1376547382 /nfs/dbraw/zinc/54/73/82/1376547382.db2.gz PVMBBVYFHIEIFH-CQSZACIVSA-N 2 2 335.354 3.040 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)nc2)C1 ZINC001232957022 1376547387 /nfs/dbraw/zinc/54/73/87/1376547387.db2.gz PVMBBVYFHIEIFH-CQSZACIVSA-N 2 2 335.354 3.040 20 0 EGADLP CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(F)n1 ZINC001233118686 1376572325 /nfs/dbraw/zinc/57/23/25/1376572325.db2.gz PFXQOGVXOKOPGU-DLBZAZTESA-N 2 2 334.483 3.126 20 0 EGADLP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(F)n1 ZINC001233118686 1376572330 /nfs/dbraw/zinc/57/23/30/1376572330.db2.gz PFXQOGVXOKOPGU-DLBZAZTESA-N 2 2 334.483 3.126 20 0 EGADLP CN(C)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(F)n1 ZINC001233118686 1376572334 /nfs/dbraw/zinc/57/23/34/1376572334.db2.gz PFXQOGVXOKOPGU-DLBZAZTESA-N 2 2 334.483 3.126 20 0 EGADLP CN(C)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(F)n1 ZINC001233118686 1376572339 /nfs/dbraw/zinc/57/23/39/1376572339.db2.gz PFXQOGVXOKOPGU-DLBZAZTESA-N 2 2 334.483 3.126 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544176 1376584575 /nfs/dbraw/zinc/58/45/75/1376584575.db2.gz DHGCIHZYKHZWEV-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544176 1376584591 /nfs/dbraw/zinc/58/45/91/1376584591.db2.gz DHGCIHZYKHZWEV-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(/C=C/C(=O)OC)cc2)CC1 ZINC001233298371 1376607777 /nfs/dbraw/zinc/60/77/77/1376607777.db2.gz HOXSWQMJMATJBQ-ZHACJKMWSA-N 2 2 330.472 3.179 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001134743867 1376692298 /nfs/dbraw/zinc/69/22/98/1376692298.db2.gz FAVQVITUZXZJAP-HOTGVXAUSA-N 2 2 345.487 3.006 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001327245763 1388461568 /nfs/dbraw/zinc/46/15/68/1388461568.db2.gz PQTVVHYDIBZLLS-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001327245763 1388461573 /nfs/dbraw/zinc/46/15/73/1388461573.db2.gz PQTVVHYDIBZLLS-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970857 1376819416 /nfs/dbraw/zinc/81/94/16/1376819416.db2.gz STCOAIRIDHBIIJ-GJZGRUSLSA-N 2 2 330.476 3.257 20 0 EGADLP Brc1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033059 1376833331 /nfs/dbraw/zinc/83/33/31/1376833331.db2.gz OCBQQPQQNURYHI-INIZCTEOSA-N 2 2 334.261 3.116 20 0 EGADLP Brc1[nH]c2ccccc2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235033059 1376833336 /nfs/dbraw/zinc/83/33/36/1376833336.db2.gz OCBQQPQQNURYHI-INIZCTEOSA-N 2 2 334.261 3.116 20 0 EGADLP c1ccc(C(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c2ccccc2)cc1 ZINC001235116778 1376849360 /nfs/dbraw/zinc/84/93/60/1376849360.db2.gz ZFDRICSVMUQJIW-QFIPXVFZSA-N 2 2 336.479 3.273 20 0 EGADLP c1ccc(C(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c2ccccc2)cc1 ZINC001235116778 1376849372 /nfs/dbraw/zinc/84/93/72/1376849372.db2.gz ZFDRICSVMUQJIW-QFIPXVFZSA-N 2 2 336.479 3.273 20 0 EGADLP CCCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044062 1376865321 /nfs/dbraw/zinc/86/53/21/1376865321.db2.gz OFVLZCJWPQKPEU-RDJZCZTQSA-N 2 2 349.519 3.310 20 0 EGADLP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098385 1376897636 /nfs/dbraw/zinc/89/76/36/1376897636.db2.gz XCCZJMGZQNRVCH-HZPDHXFCSA-N 2 2 328.460 3.015 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235943912 1376919780 /nfs/dbraw/zinc/91/97/80/1376919780.db2.gz ZWPOSLRSJMIRHA-UONOGXRCSA-N 2 2 328.378 3.145 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235943912 1376919784 /nfs/dbraw/zinc/91/97/84/1376919784.db2.gz ZWPOSLRSJMIRHA-UONOGXRCSA-N 2 2 328.378 3.145 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001135148467 1376935393 /nfs/dbraw/zinc/93/53/93/1376935393.db2.gz NQTSVDZIBYHCJJ-KBPBESRZSA-N 2 2 348.516 3.025 20 0 EGADLP CCC[N@H+](Cc1cc(OC)c(Cl)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236845048 1376967133 /nfs/dbraw/zinc/96/71/33/1376967133.db2.gz YILYOHWYCQCZDS-LLVKDONJSA-N 2 2 332.822 3.448 20 0 EGADLP CCC[N@@H+](Cc1cc(OC)c(Cl)c(F)c1F)C[C@@H]1CC[NH2+]C1 ZINC001236845048 1376967129 /nfs/dbraw/zinc/96/71/29/1376967129.db2.gz YILYOHWYCQCZDS-LLVKDONJSA-N 2 2 332.822 3.448 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1F ZINC001237959646 1376991159 /nfs/dbraw/zinc/99/11/59/1376991159.db2.gz OCQJMPVRUHTNFL-UHFFFAOYSA-N 2 2 329.419 3.250 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(F)cc4cc[nH]c43)CC2)c1 ZINC001249525895 1377074543 /nfs/dbraw/zinc/07/45/43/1377074543.db2.gz HGKQASKKRNOCMN-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001257788064 1377114617 /nfs/dbraw/zinc/11/46/17/1377114617.db2.gz KFIJLLYYMZKHTQ-LPHOPBHVSA-N 2 2 348.491 3.043 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001266614162 1377343554 /nfs/dbraw/zinc/34/35/54/1377343554.db2.gz UZFADQGMZAARJD-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001266614162 1377343556 /nfs/dbraw/zinc/34/35/56/1377343556.db2.gz UZFADQGMZAARJD-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001266614162 1377343558 /nfs/dbraw/zinc/34/35/58/1377343558.db2.gz UZFADQGMZAARJD-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001266614162 1377343560 /nfs/dbraw/zinc/34/35/60/1377343560.db2.gz UZFADQGMZAARJD-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)CC(C)C ZINC001136649118 1377413442 /nfs/dbraw/zinc/41/34/42/1377413442.db2.gz KIPCCTZJOLFOFF-KRWDZBQOSA-N 2 2 330.476 3.129 20 0 EGADLP C[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CCCCC1 ZINC001267209014 1377431119 /nfs/dbraw/zinc/43/11/19/1377431119.db2.gz FTYWRHOQXGZAJB-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP C[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CCCCC1 ZINC001267209014 1377431121 /nfs/dbraw/zinc/43/11/21/1377431121.db2.gz FTYWRHOQXGZAJB-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001136970218 1377447244 /nfs/dbraw/zinc/44/72/44/1377447244.db2.gz KFHXDZCVYLZWNV-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740244 1377568574 /nfs/dbraw/zinc/56/85/74/1377568574.db2.gz JKYUVPKBBJFZBQ-YTQUADARSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740244 1377568575 /nfs/dbraw/zinc/56/85/75/1377568575.db2.gz JKYUVPKBBJFZBQ-YTQUADARSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740244 1377568576 /nfs/dbraw/zinc/56/85/76/1377568576.db2.gz JKYUVPKBBJFZBQ-YTQUADARSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740244 1377568577 /nfs/dbraw/zinc/56/85/77/1377568577.db2.gz JKYUVPKBBJFZBQ-YTQUADARSA-N 2 2 346.519 3.234 20 0 EGADLP Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1F ZINC001137673779 1377588941 /nfs/dbraw/zinc/58/89/41/1377588941.db2.gz RNQBKIRYXMDFLU-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1F ZINC001137673779 1377588942 /nfs/dbraw/zinc/58/89/42/1377588942.db2.gz RNQBKIRYXMDFLU-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1F ZINC001137673779 1377588944 /nfs/dbraw/zinc/58/89/44/1377588944.db2.gz RNQBKIRYXMDFLU-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1F ZINC001137673779 1377588946 /nfs/dbraw/zinc/58/89/46/1377588946.db2.gz RNQBKIRYXMDFLU-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Clc1ccc2[nH]cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2c1 ZINC001137713845 1377603174 /nfs/dbraw/zinc/60/31/74/1377603174.db2.gz AONHTGNUORHUEY-UHFFFAOYSA-N 2 2 346.906 3.035 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc5ccnn54)C[C@@H]3C2)cc1 ZINC001138805196 1377787945 /nfs/dbraw/zinc/78/79/45/1377787945.db2.gz IDYFXRBGLHIFMO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5ccnn54)C[C@@H]3C2)cc1 ZINC001138805196 1377787947 /nfs/dbraw/zinc/78/79/47/1377787947.db2.gz IDYFXRBGLHIFMO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5ccnn54)C[C@@H]3C2)cc1 ZINC001138805196 1377787955 /nfs/dbraw/zinc/78/79/55/1377787955.db2.gz IDYFXRBGLHIFMO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5ccnn54)C[C@@H]3C2)cc1 ZINC001138805196 1377787959 /nfs/dbraw/zinc/78/79/59/1377787959.db2.gz IDYFXRBGLHIFMO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2o1 ZINC001138823706 1377792721 /nfs/dbraw/zinc/79/27/21/1377792721.db2.gz KTXMNLNBMWMJPW-PMACEKPBSA-N 2 2 333.435 3.392 20 0 EGADLP Clc1cccc2c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c[nH]c21 ZINC001138833636 1377793125 /nfs/dbraw/zinc/79/31/25/1377793125.db2.gz IALOSHYHQYOVHP-UHFFFAOYSA-N 2 2 346.906 3.035 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139156603 1377841556 /nfs/dbraw/zinc/84/15/56/1377841556.db2.gz XGDVCFYWCZXNRS-PMACEKPBSA-N 2 2 346.478 3.137 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@@H]3C2)c1 ZINC001139171564 1377843465 /nfs/dbraw/zinc/84/34/65/1377843465.db2.gz WQOWLCPSVBVIAL-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)Cc2ccccc21 ZINC001139318814 1377867583 /nfs/dbraw/zinc/86/75/83/1377867583.db2.gz IEHKLEICHVQLOH-OAHLLOKOSA-N 2 2 342.512 3.014 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)Cc2ccccc21 ZINC001139318814 1377867587 /nfs/dbraw/zinc/86/75/87/1377867587.db2.gz IEHKLEICHVQLOH-OAHLLOKOSA-N 2 2 342.512 3.014 20 0 EGADLP COCC[N@H+](Cc1ccc2cc(O)ccc2c1)C1CC[NH+](C)CC1 ZINC001139337329 1377869641 /nfs/dbraw/zinc/86/96/41/1377869641.db2.gz ADKXDFCCLLTLDJ-UHFFFAOYSA-N 2 2 328.456 3.088 20 0 EGADLP COCC[N@@H+](Cc1ccc2cc(O)ccc2c1)C1CC[NH+](C)CC1 ZINC001139337329 1377869643 /nfs/dbraw/zinc/86/96/43/1377869643.db2.gz ADKXDFCCLLTLDJ-UHFFFAOYSA-N 2 2 328.456 3.088 20 0 EGADLP OC1(Cc2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139357628 1377873003 /nfs/dbraw/zinc/87/30/03/1377873003.db2.gz DECPQANYDWNLMI-UHFFFAOYSA-N 2 2 347.462 3.442 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC001139464617 1377888511 /nfs/dbraw/zinc/88/85/11/1377888511.db2.gz XXACLSXWRZDAQZ-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001139464617 1377888517 /nfs/dbraw/zinc/88/85/17/1377888517.db2.gz XXACLSXWRZDAQZ-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CC[N@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C1CC[NH+](C)CC1 ZINC001139537691 1377900368 /nfs/dbraw/zinc/90/03/68/1377900368.db2.gz CSIYHUIACJEJID-UHFFFAOYSA-N 2 2 340.393 3.498 20 0 EGADLP CC[N@@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C1CC[NH+](C)CC1 ZINC001139537691 1377900369 /nfs/dbraw/zinc/90/03/69/1377900369.db2.gz CSIYHUIACJEJID-UHFFFAOYSA-N 2 2 340.393 3.498 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139891080 1377972947 /nfs/dbraw/zinc/97/29/47/1377972947.db2.gz OQZWNELSGUWIEW-OXJNMPFZSA-N 2 2 328.431 3.131 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139891080 1377972950 /nfs/dbraw/zinc/97/29/50/1377972950.db2.gz OQZWNELSGUWIEW-OXJNMPFZSA-N 2 2 328.431 3.131 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139891080 1377972955 /nfs/dbraw/zinc/97/29/55/1377972955.db2.gz OQZWNELSGUWIEW-OXJNMPFZSA-N 2 2 328.431 3.131 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c4ccccc34)C[C@@H]2C1 ZINC001139891080 1377972958 /nfs/dbraw/zinc/97/29/58/1377972958.db2.gz OQZWNELSGUWIEW-OXJNMPFZSA-N 2 2 328.431 3.131 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3cncc4ccccc43)CC2)CC1 ZINC001139897725 1377974974 /nfs/dbraw/zinc/97/49/74/1377974974.db2.gz DJOQTWQHXOIXNF-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(O)cc2Cl)CC1 ZINC001140084553 1378004225 /nfs/dbraw/zinc/00/42/25/1378004225.db2.gz PEEPHXAIJLJPDH-UHFFFAOYSA-N 2 2 331.847 3.488 20 0 EGADLP COCC[N@H+](Cc1ccc(-c2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC001140380637 1378054114 /nfs/dbraw/zinc/05/41/14/1378054114.db2.gz YGJCRBFHQCJBPM-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COCC[N@@H+](Cc1ccc(-c2ccccn2)cc1)C1CC[NH+](C)CC1 ZINC001140380637 1378054117 /nfs/dbraw/zinc/05/41/17/1378054117.db2.gz YGJCRBFHQCJBPM-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COc1cc(F)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001140482218 1378070071 /nfs/dbraw/zinc/07/00/71/1378070071.db2.gz USYOTMIWUJAKCX-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cc(F)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001140482218 1378070074 /nfs/dbraw/zinc/07/00/74/1378070074.db2.gz USYOTMIWUJAKCX-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cc(F)cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001140482218 1378070078 /nfs/dbraw/zinc/07/00/78/1378070078.db2.gz USYOTMIWUJAKCX-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cc(F)cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001140482218 1378070082 /nfs/dbraw/zinc/07/00/82/1378070082.db2.gz USYOTMIWUJAKCX-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140771228 1378133829 /nfs/dbraw/zinc/13/38/29/1378133829.db2.gz SZZUVTHEZHMMJJ-INIZCTEOSA-N 2 2 348.487 3.250 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140771228 1378133830 /nfs/dbraw/zinc/13/38/30/1378133830.db2.gz SZZUVTHEZHMMJJ-INIZCTEOSA-N 2 2 348.487 3.250 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802083 1378141060 /nfs/dbraw/zinc/14/10/60/1378141060.db2.gz NBYXXWVKOVEYLL-HNNXBMFYSA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802083 1378141062 /nfs/dbraw/zinc/14/10/62/1378141062.db2.gz NBYXXWVKOVEYLL-HNNXBMFYSA-N 2 2 344.459 3.442 20 0 EGADLP CS[C@@H](C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470359 1378174951 /nfs/dbraw/zinc/17/49/51/1378174951.db2.gz MTBNHVLUYKFDNX-LPHOPBHVSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@@H](C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470359 1378174955 /nfs/dbraw/zinc/17/49/55/1378174955.db2.gz MTBNHVLUYKFDNX-LPHOPBHVSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470359 1378174959 /nfs/dbraw/zinc/17/49/59/1378174959.db2.gz MTBNHVLUYKFDNX-LPHOPBHVSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470359 1378174963 /nfs/dbraw/zinc/17/49/63/1378174963.db2.gz MTBNHVLUYKFDNX-LPHOPBHVSA-N 2 2 349.544 3.217 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2CCN(Cc3cccc(N)[nH+]3)[C@@H]2C1 ZINC001276492782 1378175573 /nfs/dbraw/zinc/17/55/73/1378175573.db2.gz MXRABTHQIWRZMR-ZIFCJYIRSA-N 2 2 330.520 3.386 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(Cc3cccc(N)[nH+]3)[C@@H]2C1 ZINC001276492782 1378175575 /nfs/dbraw/zinc/17/55/75/1378175575.db2.gz MXRABTHQIWRZMR-ZIFCJYIRSA-N 2 2 330.520 3.386 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(OC)cc4)n3)C[C@@H]2C1 ZINC001140962798 1378194787 /nfs/dbraw/zinc/19/47/87/1378194787.db2.gz KCDDFTVJMCCYJV-HDICACEKSA-N 2 2 337.467 3.141 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(OC)cc4)n3)C[C@@H]2C1 ZINC001140962798 1378194791 /nfs/dbraw/zinc/19/47/91/1378194791.db2.gz KCDDFTVJMCCYJV-HDICACEKSA-N 2 2 337.467 3.141 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(OC)cc4)n3)C[C@@H]2C1 ZINC001140962798 1378194792 /nfs/dbraw/zinc/19/47/92/1378194792.db2.gz KCDDFTVJMCCYJV-HDICACEKSA-N 2 2 337.467 3.141 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccc(OC)cc4)n3)C[C@@H]2C1 ZINC001140962798 1378194799 /nfs/dbraw/zinc/19/47/99/1378194799.db2.gz KCDDFTVJMCCYJV-HDICACEKSA-N 2 2 337.467 3.141 20 0 EGADLP CCC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCN(C(C)=O)CC1 ZINC001141244987 1378282916 /nfs/dbraw/zinc/28/29/16/1378282916.db2.gz ZHSSYYOTXIHBFA-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP CCC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCN(C(C)=O)CC1 ZINC001141244987 1378282922 /nfs/dbraw/zinc/28/29/22/1378282922.db2.gz ZHSSYYOTXIHBFA-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ncc(Br)s2)CC1 ZINC001142717351 1378481339 /nfs/dbraw/zinc/48/13/39/1378481339.db2.gz ONCIMCPAVLBGOR-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ncc(Br)s2)CC1 ZINC001142717351 1378481343 /nfs/dbraw/zinc/48/13/43/1378481343.db2.gz ONCIMCPAVLBGOR-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP COCC[N@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC001142841103 1378494173 /nfs/dbraw/zinc/49/41/73/1378494173.db2.gz MPKGMWGXLXTCML-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COCC[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC001142841103 1378494175 /nfs/dbraw/zinc/49/41/75/1378494175.db2.gz MPKGMWGXLXTCML-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5nccn5c4)C[C@@H]3C2)cc1 ZINC001143021286 1378527250 /nfs/dbraw/zinc/52/72/50/1378527250.db2.gz VJNOEFXVNUYUSZ-SFTDATJTSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1c(C[NH+]2CCN(CCC[NH+](C)C)CC2)cccc1C(F)(F)F ZINC001143929817 1378661258 /nfs/dbraw/zinc/66/12/58/1378661258.db2.gz AVAHRKKMJGDLGW-UHFFFAOYSA-N 2 2 343.437 3.083 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c2[nH]1 ZINC001144712083 1378762607 /nfs/dbraw/zinc/76/26/07/1378762607.db2.gz JSCMXTWJYWALMW-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2[nH]1 ZINC001144712083 1378762608 /nfs/dbraw/zinc/76/26/08/1378762608.db2.gz JSCMXTWJYWALMW-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cccc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2[nH]1 ZINC001144712083 1378762609 /nfs/dbraw/zinc/76/26/09/1378762609.db2.gz JSCMXTWJYWALMW-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2[nH]1 ZINC001144712083 1378762610 /nfs/dbraw/zinc/76/26/10/1378762610.db2.gz JSCMXTWJYWALMW-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001146707234 1378903798 /nfs/dbraw/zinc/90/37/98/1378903798.db2.gz PJCMYWFXNOVBOY-QZTJIDSGSA-N 2 2 342.487 3.045 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC001146707518 1378903996 /nfs/dbraw/zinc/90/39/96/1378903996.db2.gz SDBYONRLFHNKJY-MSOLQXFVSA-N 2 2 342.487 3.045 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994613 1380173476 /nfs/dbraw/zinc/17/34/76/1380173476.db2.gz NJXKNJUJIVFQBL-QGZVFWFLSA-N 2 2 336.524 3.334 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994613 1380173478 /nfs/dbraw/zinc/17/34/78/1380173478.db2.gz NJXKNJUJIVFQBL-QGZVFWFLSA-N 2 2 336.524 3.334 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005017 1380175773 /nfs/dbraw/zinc/17/57/73/1380175773.db2.gz VDBANLWNEQUINH-XZVRFQMRSA-N 2 2 347.503 3.206 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005017 1380175776 /nfs/dbraw/zinc/17/57/76/1380175776.db2.gz VDBANLWNEQUINH-XZVRFQMRSA-N 2 2 347.503 3.206 20 0 EGADLP CC[N@H+](CCOCC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403931 1380270798 /nfs/dbraw/zinc/27/07/98/1380270798.db2.gz PEMVJRSRMXSAJZ-QGZVFWFLSA-N 2 2 349.519 3.120 20 0 EGADLP CC[N@@H+](CCOCC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403931 1380270799 /nfs/dbraw/zinc/27/07/99/1380270799.db2.gz PEMVJRSRMXSAJZ-QGZVFWFLSA-N 2 2 349.519 3.120 20 0 EGADLP Cc1ccc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)nc1Cl ZINC001155058345 1380399965 /nfs/dbraw/zinc/39/99/65/1380399965.db2.gz YECKDWOTXLWDSL-UHFFFAOYSA-N 2 2 326.778 3.305 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189884 1380421993 /nfs/dbraw/zinc/42/19/93/1380421993.db2.gz YNQVLRXOTAVBLO-HZPDHXFCSA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189884 1380421994 /nfs/dbraw/zinc/42/19/94/1380421994.db2.gz YNQVLRXOTAVBLO-HZPDHXFCSA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521104 1380463627 /nfs/dbraw/zinc/46/36/27/1380463627.db2.gz FGGCUTHNCXHTKN-HZPDHXFCSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521104 1380463628 /nfs/dbraw/zinc/46/36/28/1380463628.db2.gz FGGCUTHNCXHTKN-HZPDHXFCSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247888 1380823164 /nfs/dbraw/zinc/82/31/64/1380823164.db2.gz ASKPJELDBJCOFM-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247888 1380823167 /nfs/dbraw/zinc/82/31/67/1380823167.db2.gz ASKPJELDBJCOFM-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248802 1380824227 /nfs/dbraw/zinc/82/42/27/1380824227.db2.gz XWPFTBCFTQLDJA-QGZVFWFLSA-N 2 2 336.524 3.316 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248802 1380824252 /nfs/dbraw/zinc/82/42/52/1380824252.db2.gz XWPFTBCFTQLDJA-QGZVFWFLSA-N 2 2 336.524 3.316 20 0 EGADLP C[NH+](C)Cc1nc(CSCCNc2[nH+]ccc3[nH]ccc32)cs1 ZINC001157333086 1380844811 /nfs/dbraw/zinc/84/48/11/1380844811.db2.gz WQGKIHNDDWDSTE-UHFFFAOYSA-N 2 2 347.513 3.426 20 0 EGADLP C[N@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217428 1381162149 /nfs/dbraw/zinc/16/21/49/1381162149.db2.gz OMYFXPWRVFZVOI-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217428 1381162151 /nfs/dbraw/zinc/16/21/51/1381162151.db2.gz OMYFXPWRVFZVOI-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)Oc1cc[nH+]c(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001158625002 1381328839 /nfs/dbraw/zinc/32/88/39/1381328839.db2.gz ZCONPXNNZMHNOM-OAHLLOKOSA-N 2 2 325.403 3.179 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653725 1381338619 /nfs/dbraw/zinc/33/86/19/1381338619.db2.gz LPXUSXOTALFLSC-MRXNPFEDSA-N 2 2 334.508 3.091 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653725 1381338624 /nfs/dbraw/zinc/33/86/24/1381338624.db2.gz LPXUSXOTALFLSC-MRXNPFEDSA-N 2 2 334.508 3.091 20 0 EGADLP CCOC(=O)c1c(Nc2cc(C)c[nH+]c2C)sc2c1CC[NH2+]C2 ZINC001159208307 1381731098 /nfs/dbraw/zinc/73/10/98/1381731098.db2.gz IEGUKGWXBDGFST-UHFFFAOYSA-N 2 2 331.441 3.326 20 0 EGADLP CC[NH+](CC)c1ccc(N(c2ncccc2N)C2CC[NH2+]CC2)cc1 ZINC001159289125 1381752663 /nfs/dbraw/zinc/75/26/63/1381752663.db2.gz SBASNABICHTGSD-UHFFFAOYSA-N 2 2 339.487 3.400 20 0 EGADLP COc1cc(C)c(N(c2[nH+]cccc2N)C2CC[NH2+]CC2)cc1C ZINC001159288554 1381752746 /nfs/dbraw/zinc/75/27/46/1381752746.db2.gz BIGHLWXNMJRAGW-UHFFFAOYSA-N 2 2 326.444 3.179 20 0 EGADLP CC[NH+](CC)c1ccc(N(c2ccc(N)cn2)C2CC[NH2+]CC2)cc1 ZINC001159321324 1381761411 /nfs/dbraw/zinc/76/14/11/1381761411.db2.gz IQACDRWERGFILA-UHFFFAOYSA-N 2 2 339.487 3.400 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N)[nH+]cn1)c1ccc(Cl)cc1Cl ZINC001159515141 1381815412 /nfs/dbraw/zinc/81/54/12/1381815412.db2.gz LUFZXSSUEINDBF-GFCCVEGCSA-N 2 2 326.231 3.080 20 0 EGADLP Brc1ccc(Nc2ccn3cc[nH+]c3c2)c2c1CC[NH2+]C2 ZINC001159942078 1381943468 /nfs/dbraw/zinc/94/34/68/1381943468.db2.gz UMGKHVPMWRHMCO-UHFFFAOYSA-N 2 2 343.228 3.486 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001160330675 1382075222 /nfs/dbraw/zinc/07/52/22/1382075222.db2.gz HCCAHEKINDNCOU-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001160330675 1382075228 /nfs/dbraw/zinc/07/52/28/1382075228.db2.gz HCCAHEKINDNCOU-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001160330675 1382075231 /nfs/dbraw/zinc/07/52/31/1382075231.db2.gz HCCAHEKINDNCOU-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001160330675 1382075235 /nfs/dbraw/zinc/07/52/35/1382075235.db2.gz HCCAHEKINDNCOU-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP Cc1cccc(C[NH2+]CCCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001160522174 1382130716 /nfs/dbraw/zinc/13/07/16/1382130716.db2.gz XCJDPOHDOJPDEN-IBGZPJMESA-N 2 2 342.487 3.075 20 0 EGADLP CCCN(CCC)c1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]cn1 ZINC001160738524 1382182888 /nfs/dbraw/zinc/18/28/88/1382182888.db2.gz KKYDGHQVMDFBLY-STQMWFEESA-N 2 2 345.413 3.055 20 0 EGADLP CCCN(CCC)c1cc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc[nH+]1 ZINC001160738524 1382182892 /nfs/dbraw/zinc/18/28/92/1382182892.db2.gz KKYDGHQVMDFBLY-STQMWFEESA-N 2 2 345.413 3.055 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1F ZINC001160990075 1382263136 /nfs/dbraw/zinc/26/31/36/1382263136.db2.gz CWWISCZDAUQAQS-CYBMUJFWSA-N 2 2 340.402 3.173 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001160991179 1382264216 /nfs/dbraw/zinc/26/42/16/1382264216.db2.gz OEMOYVYIRTUJGP-HNNXBMFYSA-N 2 2 336.439 3.342 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001161012547 1382271304 /nfs/dbraw/zinc/27/13/04/1382271304.db2.gz CZFVEFJIQRSXFU-VVLHAWIVSA-N 2 2 340.471 3.311 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001161012547 1382271309 /nfs/dbraw/zinc/27/13/09/1382271309.db2.gz CZFVEFJIQRSXFU-VVLHAWIVSA-N 2 2 340.471 3.311 20 0 EGADLP CCc1cc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)nc(C)[nH+]1 ZINC001161137058 1382314704 /nfs/dbraw/zinc/31/47/04/1382314704.db2.gz OXYYHUSLHJDBJY-UHFFFAOYSA-N 2 2 326.444 3.130 20 0 EGADLP CN(C)c1cc(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)[nH+]cn1 ZINC001162231146 1382662672 /nfs/dbraw/zinc/66/26/72/1382662672.db2.gz MCJAZLRGYWQDHG-KRWDZBQOSA-N 2 2 343.450 3.225 20 0 EGADLP CN(C)c1cc(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)nc[nH+]1 ZINC001162231146 1382662676 /nfs/dbraw/zinc/66/26/76/1382662676.db2.gz MCJAZLRGYWQDHG-KRWDZBQOSA-N 2 2 343.450 3.225 20 0 EGADLP CCOc1ccc[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162468894 1382766673 /nfs/dbraw/zinc/76/66/73/1382766673.db2.gz HLRUYAQWKPWYNF-UHFFFAOYSA-N 2 2 345.427 3.439 20 0 EGADLP [NH3+][C@@H]1Cc2ccccc2N(c2c[nH+]c3c(Br)cccn23)C1 ZINC001162851000 1382894590 /nfs/dbraw/zinc/89/45/90/1382894590.db2.gz WKNKVXHNZIZPMX-GFCCVEGCSA-N 2 2 343.228 3.118 20 0 EGADLP CC[NH2+]CCN(CCc1ccccc1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001162871217 1382900625 /nfs/dbraw/zinc/90/06/25/1382900625.db2.gz LVNGUYHCEYMVTK-UHFFFAOYSA-N 2 2 339.483 3.301 20 0 EGADLP COc1cc2cc[nH+]c(Nc3ccc([C@H](C[NH3+])CO)cc3)c2cc1F ZINC001163058831 1382958347 /nfs/dbraw/zinc/95/83/47/1382958347.db2.gz STYVOBZBOBVNEV-CQSZACIVSA-N 2 2 341.386 3.161 20 0 EGADLP CC(C)n1ccc2c1nc[nH+]c2N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC001165123386 1383231870 /nfs/dbraw/zinc/23/18/70/1383231870.db2.gz VLCYJHXGORZAIR-UHFFFAOYSA-N 2 2 347.466 3.334 20 0 EGADLP C[N@@H+]1CCC[C@@H](CCNc2cc[nH+]c(OCc3ccccn3)c2)C1 ZINC001165301289 1383268930 /nfs/dbraw/zinc/26/89/30/1383268930.db2.gz ZNUNPTDUXPEXDB-INIZCTEOSA-N 2 2 326.444 3.199 20 0 EGADLP C[N@H+]1CCC[C@@H](CCNc2cc[nH+]c(OCc3ccccn3)c2)C1 ZINC001165301289 1383268936 /nfs/dbraw/zinc/26/89/36/1383268936.db2.gz ZNUNPTDUXPEXDB-INIZCTEOSA-N 2 2 326.444 3.199 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc3nc(Cl)cnc3cc1Cl)CC[NH2+]CC2 ZINC001165352937 1383280476 /nfs/dbraw/zinc/28/04/76/1383280476.db2.gz IHEODWSAWKZXAD-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP COc1cc2cnc(Cl)cc2cc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165356747 1383280742 /nfs/dbraw/zinc/28/07/42/1383280742.db2.gz REAPXJBJEYZPFF-UHFFFAOYSA-N 2 2 342.830 3.079 20 0 EGADLP CC(C)Oc1ccnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167974837 1383784024 /nfs/dbraw/zinc/78/40/24/1383784024.db2.gz BFTJWJKGLPUDRR-JLYLLQBASA-N 2 2 329.488 3.364 20 0 EGADLP CC(C)Oc1ccnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974837 1383784027 /nfs/dbraw/zinc/78/40/27/1383784027.db2.gz BFTJWJKGLPUDRR-JLYLLQBASA-N 2 2 329.488 3.364 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001167991641 1383789874 /nfs/dbraw/zinc/78/98/74/1383789874.db2.gz MUJVGCLIHKARBA-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001167991641 1383789877 /nfs/dbraw/zinc/78/98/77/1383789877.db2.gz MUJVGCLIHKARBA-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039264 1383802028 /nfs/dbraw/zinc/80/20/28/1383802028.db2.gz CORSHCHCLZEEPI-WKRCXCSHSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039264 1383802032 /nfs/dbraw/zinc/80/20/32/1383802032.db2.gz CORSHCHCLZEEPI-WKRCXCSHSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802081 /nfs/dbraw/zinc/80/20/81/1383802081.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802083 /nfs/dbraw/zinc/80/20/83/1383802083.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802085 /nfs/dbraw/zinc/80/20/85/1383802085.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039261 1383802088 /nfs/dbraw/zinc/80/20/88/1383802088.db2.gz CORSHCHCLZEEPI-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[C@@H](N2CC([NH+]3CC[C@H](F)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064301 1383808137 /nfs/dbraw/zinc/80/81/37/1383808137.db2.gz PYFFETNWCQVMNN-HNJRGHQBSA-N 2 2 345.506 3.156 20 0 EGADLP C[C@@H]1C[C@@H](N2CC([NH+]3CC[C@H](F)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064301 1383808141 /nfs/dbraw/zinc/80/81/41/1383808141.db2.gz PYFFETNWCQVMNN-HNJRGHQBSA-N 2 2 345.506 3.156 20 0 EGADLP C[C@@H]1C[C@@H](N2CC([N@@H+]3CC[C@H](F)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064301 1383808145 /nfs/dbraw/zinc/80/81/45/1383808145.db2.gz PYFFETNWCQVMNN-HNJRGHQBSA-N 2 2 345.506 3.156 20 0 EGADLP C[C@@H]1C[C@@H](N2CC([N@H+]3CC[C@H](F)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064301 1383808150 /nfs/dbraw/zinc/80/81/50/1383808150.db2.gz PYFFETNWCQVMNN-HNJRGHQBSA-N 2 2 345.506 3.156 20 0 EGADLP CCc1cc(N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)nc(CC)[nH+]1 ZINC001306993475 1383931064 /nfs/dbraw/zinc/93/10/64/1383931064.db2.gz DXDDWGNTBJVURW-UHFFFAOYSA-N 2 2 348.441 3.448 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001168729286 1383982984 /nfs/dbraw/zinc/98/29/84/1383982984.db2.gz HPYFXRCVGOIAHU-JTOWHCCKSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001168729286 1383982988 /nfs/dbraw/zinc/98/29/88/1383982988.db2.gz HPYFXRCVGOIAHU-JTOWHCCKSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC001308176551 1384105587 /nfs/dbraw/zinc/10/55/87/1384105587.db2.gz LJMBJKFHLNLJCM-QIJUGHKUSA-N 2 2 337.511 3.399 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC001308176551 1384105590 /nfs/dbraw/zinc/10/55/90/1384105590.db2.gz LJMBJKFHLNLJCM-QIJUGHKUSA-N 2 2 337.511 3.399 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccc(Cl)cc1)C2 ZINC001169109532 1384108731 /nfs/dbraw/zinc/10/87/31/1384108731.db2.gz CTZSLEUHJHXEAC-NNZMDNLPSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccc(Cl)cc1)C2 ZINC001169109532 1384108734 /nfs/dbraw/zinc/10/87/34/1384108734.db2.gz CTZSLEUHJHXEAC-NNZMDNLPSA-N 2 2 344.890 3.300 20 0 EGADLP CC(C)C(C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C(C)C ZINC001308227422 1384110735 /nfs/dbraw/zinc/11/07/35/1384110735.db2.gz JIVRHPUPFHOCAU-UHFFFAOYSA-N 2 2 348.531 3.415 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)C2 ZINC001169126775 1384111350 /nfs/dbraw/zinc/11/13/50/1384111350.db2.gz XOLLGHUZSLQQSZ-BWTSREIZSA-N 2 2 330.447 3.346 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)C2 ZINC001169126775 1384111352 /nfs/dbraw/zinc/11/13/52/1384111352.db2.gz XOLLGHUZSLQQSZ-BWTSREIZSA-N 2 2 330.447 3.346 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160015 1384117128 /nfs/dbraw/zinc/11/71/28/1384117128.db2.gz AEXGEMIEMAQCGE-KCUHQSDYSA-N 2 2 331.479 3.130 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160015 1384117131 /nfs/dbraw/zinc/11/71/31/1384117131.db2.gz AEXGEMIEMAQCGE-KCUHQSDYSA-N 2 2 331.479 3.130 20 0 EGADLP CC(C)c1nc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cs1 ZINC001308365374 1384122151 /nfs/dbraw/zinc/12/21/51/1384122151.db2.gz CRIWHKJVQWMRHM-SFHVURJKSA-N 2 2 345.512 3.123 20 0 EGADLP CC(C)c1nc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cs1 ZINC001308365374 1384122153 /nfs/dbraw/zinc/12/21/53/1384122153.db2.gz CRIWHKJVQWMRHM-SFHVURJKSA-N 2 2 345.512 3.123 20 0 EGADLP Fc1cccc(-n2cccn2)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001308409407 1384124123 /nfs/dbraw/zinc/12/41/23/1384124123.db2.gz ZQUYAQZXVIKTCD-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130388 /nfs/dbraw/zinc/13/03/88/1384130388.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130390 /nfs/dbraw/zinc/13/03/90/1384130390.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130393 /nfs/dbraw/zinc/13/03/93/1384130393.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268125 1384130396 /nfs/dbraw/zinc/13/03/96/1384130396.db2.gz GXORQVDUSYFIMC-SFTDATJTSA-N 3 2 341.543 3.315 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169464865 1384150781 /nfs/dbraw/zinc/15/07/81/1384150781.db2.gz QWJQKPIHAREYPJ-GOSISDBHSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169464865 1384150782 /nfs/dbraw/zinc/15/07/82/1384150782.db2.gz QWJQKPIHAREYPJ-GOSISDBHSA-N 2 2 345.531 3.230 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169734050 1384180391 /nfs/dbraw/zinc/18/03/91/1384180391.db2.gz XYYBJVMJHUULLF-AZUAARDMSA-N 2 2 343.515 3.001 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)CCO1 ZINC001170171911 1384254812 /nfs/dbraw/zinc/25/48/12/1384254812.db2.gz WNKXCYVJTPNQAA-MOPGFXCFSA-N 2 2 332.488 3.207 20 0 EGADLP Cc1ccc(-c2cc[nH+]c(NC[C@H]3O[C@H](C(C)C)O[C@@H]3C[NH3+])c2)cc1 ZINC001170272688 1384279775 /nfs/dbraw/zinc/27/97/75/1384279775.db2.gz KCMROBGBHOXKOK-QWFCFKBJSA-N 2 2 341.455 3.194 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001170417670 1384313728 /nfs/dbraw/zinc/31/37/28/1384313728.db2.gz MGCCYHUJGUMOIZ-AEFFLSMTSA-N 2 2 332.488 3.446 20 0 EGADLP C[NH+]1C(C)(C)CC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1(C)C ZINC001170449922 1384321829 /nfs/dbraw/zinc/32/18/29/1384321829.db2.gz AXTAVBGYWVFZMZ-UHFFFAOYSA-N 2 2 327.476 3.390 20 0 EGADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)cs1 ZINC001170721579 1384373547 /nfs/dbraw/zinc/37/35/47/1384373547.db2.gz WRSXTGKVQUEBDZ-XMQYKBBCSA-N 2 2 339.574 3.462 20 0 EGADLP Fc1cccc2c1C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001171004497 1384428083 /nfs/dbraw/zinc/42/80/83/1384428083.db2.gz GDMZLZNZOGEMPO-QGZVFWFLSA-N 2 2 325.431 3.337 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150943 1384455522 /nfs/dbraw/zinc/45/55/22/1384455522.db2.gz FJCJXGBSEXZMMR-MRXNPFEDSA-N 2 2 336.524 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150943 1384455525 /nfs/dbraw/zinc/45/55/25/1384455525.db2.gz FJCJXGBSEXZMMR-MRXNPFEDSA-N 2 2 336.524 3.433 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cs1 ZINC001171153226 1384456016 /nfs/dbraw/zinc/45/60/16/1384456016.db2.gz WMOJTSBIFSHAKF-AWEZNQCLSA-N 2 2 348.516 3.177 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cs1 ZINC001171153226 1384456019 /nfs/dbraw/zinc/45/60/19/1384456019.db2.gz WMOJTSBIFSHAKF-AWEZNQCLSA-N 2 2 348.516 3.177 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475550 1384533972 /nfs/dbraw/zinc/53/39/72/1384533972.db2.gz LMOODDZJSQGPEQ-MRXNPFEDSA-N 2 2 336.524 3.381 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486230 1384537904 /nfs/dbraw/zinc/53/79/04/1384537904.db2.gz JKDAQKZWTJEFIA-OSJSJHBBSA-N 2 2 347.503 3.254 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486216 1384538121 /nfs/dbraw/zinc/53/81/21/1384538121.db2.gz JHPPUYSAMUQUOO-INIZCTEOSA-N 2 2 349.519 3.334 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171605743 1384577651 /nfs/dbraw/zinc/57/76/51/1384577651.db2.gz QLSFNDYCDNDMQN-ROUUACIJSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171785045 1384635808 /nfs/dbraw/zinc/63/58/08/1384635808.db2.gz ZYPVUJFAGQOUBL-CGZBRXJRSA-N 2 2 342.487 3.259 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705701 /nfs/dbraw/zinc/70/57/01/1384705701.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705706 /nfs/dbraw/zinc/70/57/06/1384705706.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705715 /nfs/dbraw/zinc/70/57/15/1384705715.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987317 1384705720 /nfs/dbraw/zinc/70/57/20/1384705720.db2.gz UFQLTCSOTJXBND-RBBKRZOGSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987390 1384706290 /nfs/dbraw/zinc/70/62/90/1384706290.db2.gz UOKWPAZIMPIUDY-FQEVSTJZSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987390 1384706294 /nfs/dbraw/zinc/70/62/94/1384706294.db2.gz UOKWPAZIMPIUDY-FQEVSTJZSA-N 3 2 341.543 3.457 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067576 1384716861 /nfs/dbraw/zinc/71/68/61/1384716861.db2.gz DCOBGZSLIOWMCF-UZFIKNKDSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067576 1384716863 /nfs/dbraw/zinc/71/68/63/1384716863.db2.gz DCOBGZSLIOWMCF-UZFIKNKDSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067576 1384716874 /nfs/dbraw/zinc/71/68/74/1384716874.db2.gz DCOBGZSLIOWMCF-UZFIKNKDSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067576 1384716876 /nfs/dbraw/zinc/71/68/76/1384716876.db2.gz DCOBGZSLIOWMCF-UZFIKNKDSA-N 2 2 326.484 3.435 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001316947946 1384720273 /nfs/dbraw/zinc/72/02/73/1384720273.db2.gz PIMHYHGICITBIM-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001316947946 1384720277 /nfs/dbraw/zinc/72/02/77/1384720277.db2.gz PIMHYHGICITBIM-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001172118847 1384732687 /nfs/dbraw/zinc/73/26/87/1384732687.db2.gz QSJALQRNKCBVEK-IZZQQSIFSA-N 2 2 333.907 3.477 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001172118847 1384732691 /nfs/dbraw/zinc/73/26/91/1384732691.db2.gz QSJALQRNKCBVEK-IZZQQSIFSA-N 2 2 333.907 3.477 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120175 1384733222 /nfs/dbraw/zinc/73/32/22/1384733222.db2.gz ACFROAQBBSKNMR-FUMNGEBKSA-N 2 2 332.463 3.388 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120175 1384733226 /nfs/dbraw/zinc/73/32/26/1384733226.db2.gz ACFROAQBBSKNMR-FUMNGEBKSA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120175 1384733230 /nfs/dbraw/zinc/73/32/30/1384733230.db2.gz ACFROAQBBSKNMR-FUMNGEBKSA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120175 1384733233 /nfs/dbraw/zinc/73/32/33/1384733233.db2.gz ACFROAQBBSKNMR-FUMNGEBKSA-N 2 2 332.463 3.388 20 0 EGADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC001172126821 1384735477 /nfs/dbraw/zinc/73/54/77/1384735477.db2.gz YKMAZGDDFJRWCY-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC001172126821 1384735483 /nfs/dbraw/zinc/73/54/83/1384735483.db2.gz YKMAZGDDFJRWCY-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCOC(C)C)CC2)cc1 ZINC001172432636 1384791178 /nfs/dbraw/zinc/79/11/78/1384791178.db2.gz BTQBYQBKHJXFNF-KRWDZBQOSA-N 2 2 334.504 3.453 20 0 EGADLP CC(C)COCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172473200 1384800932 /nfs/dbraw/zinc/80/09/32/1384800932.db2.gz SEFZTTZRSYWVHK-TYPHKJRUSA-N 2 2 345.531 3.287 20 0 EGADLP CC(C)COCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172473200 1384800933 /nfs/dbraw/zinc/80/09/33/1384800933.db2.gz SEFZTTZRSYWVHK-TYPHKJRUSA-N 2 2 345.531 3.287 20 0 EGADLP CC(C)COCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172473200 1384800938 /nfs/dbraw/zinc/80/09/38/1384800938.db2.gz SEFZTTZRSYWVHK-TYPHKJRUSA-N 2 2 345.531 3.287 20 0 EGADLP CC(C)COCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172473200 1384800941 /nfs/dbraw/zinc/80/09/41/1384800941.db2.gz SEFZTTZRSYWVHK-TYPHKJRUSA-N 2 2 345.531 3.287 20 0 EGADLP COc1cc(N(C2CC[NH2+]CC2)C2CC(C)(C)OC(C)(C)C2)cc[nH+]1 ZINC001172660935 1384828453 /nfs/dbraw/zinc/82/84/53/1384828453.db2.gz MJMRQCWYBFOWFY-UHFFFAOYSA-N 2 2 347.503 3.385 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722177 1384837858 /nfs/dbraw/zinc/83/78/58/1384837858.db2.gz PWFUVYZZBHNWNW-FQEVSTJZSA-N 2 2 348.918 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722177 1384837860 /nfs/dbraw/zinc/83/78/60/1384837860.db2.gz PWFUVYZZBHNWNW-FQEVSTJZSA-N 2 2 348.918 3.382 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172747209 1384842265 /nfs/dbraw/zinc/84/22/65/1384842265.db2.gz ZQVDPUAJMFIDTE-MRXNPFEDSA-N 2 2 348.487 3.067 20 0 EGADLP Cc1ccc(N([C@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172763177 1384845829 /nfs/dbraw/zinc/84/58/29/1384845829.db2.gz VROTXWDHCWJAIE-MRXNPFEDSA-N 2 2 333.476 3.069 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172960883 1384890300 /nfs/dbraw/zinc/89/03/00/1384890300.db2.gz YKBNIAKBFGRRGZ-HOTGVXAUSA-N 2 2 341.540 3.342 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172960883 1384890307 /nfs/dbraw/zinc/89/03/07/1384890307.db2.gz YKBNIAKBFGRRGZ-HOTGVXAUSA-N 2 2 341.540 3.342 20 0 EGADLP Cc1[nH+]cn([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)c1CC[NH3+] ZINC001173082470 1384910404 /nfs/dbraw/zinc/91/04/04/1384910404.db2.gz MMZCDYIFMDNEDH-NSHDSACASA-N 2 2 327.350 3.395 20 0 EGADLP CCCOC1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001173090690 1384912713 /nfs/dbraw/zinc/91/27/13/1384912713.db2.gz FXYWQODGLHQINJ-UHFFFAOYSA-N 2 2 346.515 3.346 20 0 EGADLP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001173257183 1384945991 /nfs/dbraw/zinc/94/59/91/1384945991.db2.gz RFMMSTGVWUNDPU-JYJNAYRXSA-N 2 2 327.513 3.128 20 0 EGADLP CC[NH+]1CCN(Cc2ccc(Nc3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001174279373 1385091513 /nfs/dbraw/zinc/09/15/13/1385091513.db2.gz WFOMZFLIIJGRDJ-UHFFFAOYSA-N 2 2 335.455 3.215 20 0 EGADLP CCN1CC[NH+](Cc2ccc(Nc3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001174279373 1385091518 /nfs/dbraw/zinc/09/15/18/1385091518.db2.gz WFOMZFLIIJGRDJ-UHFFFAOYSA-N 2 2 335.455 3.215 20 0 EGADLP Cc1ccc(C)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)[nH+]1 ZINC001174431594 1385107581 /nfs/dbraw/zinc/10/75/81/1385107581.db2.gz FNQCKDULQMXCJX-UHFFFAOYSA-N 2 2 327.428 3.153 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]Cc2cccc(F)c2)c(C)[nH+]1 ZINC001317400402 1385115501 /nfs/dbraw/zinc/11/55/01/1385115501.db2.gz JUVGVHOVBHVKLU-AWEZNQCLSA-N 2 2 343.446 3.444 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001174581966 1385122681 /nfs/dbraw/zinc/12/26/81/1385122681.db2.gz WYIMQRPOYOYWSV-XBMUEBEBSA-N 2 2 348.535 3.364 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3cc(Cl)c4[nH+]ccn4c3)cc2)CC1 ZINC001174816041 1385154289 /nfs/dbraw/zinc/15/42/89/1385154289.db2.gz NIUHTESBWYVTDM-UHFFFAOYSA-N 2 2 341.846 3.483 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209487 1385221005 /nfs/dbraw/zinc/22/10/05/1385221005.db2.gz KFZCPNGQZKCAQR-NVXWUHKLSA-N 2 2 346.519 3.284 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c(C)s1 ZINC001175469454 1385302073 /nfs/dbraw/zinc/30/20/73/1385302073.db2.gz QWSXHSAFCMKSNE-ZDUSSCGKSA-N 2 2 348.516 3.095 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501411 1385312903 /nfs/dbraw/zinc/31/29/03/1385312903.db2.gz DOYQJMJIINEIND-KBPBESRZSA-N 2 2 348.413 3.051 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175630250 1385357062 /nfs/dbraw/zinc/35/70/62/1385357062.db2.gz OUOYTDLEUXIJKU-IAGOWNOFSA-N 2 2 346.519 3.353 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175630250 1385357068 /nfs/dbraw/zinc/35/70/68/1385357068.db2.gz OUOYTDLEUXIJKU-IAGOWNOFSA-N 2 2 346.519 3.353 20 0 EGADLP COC(=O)Cc1ccccc1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668797 1385367689 /nfs/dbraw/zinc/36/76/89/1385367689.db2.gz HOZPCUUWVNZIED-HXUWFJFHSA-N 2 2 349.434 3.130 20 0 EGADLP Cc1cccn2cc(CC(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)[nH+]c12 ZINC001175703738 1385378416 /nfs/dbraw/zinc/37/84/16/1385378416.db2.gz KKEMYKZKDFDPJS-KRWDZBQOSA-N 2 2 344.503 3.106 20 0 EGADLP C[NH+](C)CCOc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)cc1 ZINC001175712435 1385382249 /nfs/dbraw/zinc/38/22/49/1385382249.db2.gz AUMCGVLNEKDYGH-UHFFFAOYSA-N 2 2 340.349 3.367 20 0 EGADLP CCOc1cc[nH+]cc1Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001175783832 1385404167 /nfs/dbraw/zinc/40/41/67/1385404167.db2.gz WJZAGVKJEMTPEO-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC001175881274 1385428997 /nfs/dbraw/zinc/42/89/97/1385428997.db2.gz MVODROJMWXEXQK-LSDHHAIUSA-N 2 2 346.450 3.117 20 0 EGADLP CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001176828535 1385715536 /nfs/dbraw/zinc/71/55/36/1385715536.db2.gz CBFBSCAHULTFCH-IEBWSBKVSA-N 2 2 342.487 3.299 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC001318497277 1385725879 /nfs/dbraw/zinc/72/58/79/1385725879.db2.gz IPWRJJPOQYUYLT-KRWDZBQOSA-N 2 2 336.420 3.231 20 0 EGADLP COc1ccc2cc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3C)[nH]c2c1 ZINC001318500537 1385728229 /nfs/dbraw/zinc/72/82/29/1385728229.db2.gz LBPVZTLPIRCQTK-UHFFFAOYSA-N 2 2 347.378 3.318 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318592597 1385777119 /nfs/dbraw/zinc/77/71/19/1385777119.db2.gz HLXZVGXSUZBGLP-WBMJQRKESA-N 2 2 348.878 3.160 20 0 EGADLP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378767 1385935328 /nfs/dbraw/zinc/93/53/28/1385935328.db2.gz LJBSAMFDHFFZPE-UHFFFAOYSA-N 2 2 348.535 3.462 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2c(Cl)ccc3cccnc32)CC1 ZINC001177501918 1385980757 /nfs/dbraw/zinc/98/07/57/1385980757.db2.gz OZWMYWVJPIWLEK-UHFFFAOYSA-N 2 2 333.863 3.089 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1OC ZINC001319711950 1386264662 /nfs/dbraw/zinc/26/46/62/1386264662.db2.gz METYRZBDHFTUQS-QGZVFWFLSA-N 2 2 341.455 3.484 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1OC ZINC001319711950 1386264666 /nfs/dbraw/zinc/26/46/66/1386264666.db2.gz METYRZBDHFTUQS-QGZVFWFLSA-N 2 2 341.455 3.484 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001319714129 1386265936 /nfs/dbraw/zinc/26/59/36/1386265936.db2.gz YNXQQHFGCUIJGH-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@H](C(=O)NCCCCCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001178773768 1386299747 /nfs/dbraw/zinc/29/97/47/1386299747.db2.gz HFWVWEGBGADMLH-QGZVFWFLSA-N 2 2 340.487 3.096 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852040 1386329069 /nfs/dbraw/zinc/32/90/69/1386329069.db2.gz KFEHOJIKWHUIFF-JXCVUKRWSA-N 2 2 346.519 3.068 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179561749 1386515326 /nfs/dbraw/zinc/51/53/26/1386515326.db2.gz ZVXHILALORZNAY-CWIOURORSA-N 2 2 346.519 3.452 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001179622734 1386533821 /nfs/dbraw/zinc/53/38/21/1386533821.db2.gz OGHTXTAYSLPEAO-IKGGRYGDSA-N 2 2 334.508 3.240 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776871 1386581978 /nfs/dbraw/zinc/58/19/78/1386581978.db2.gz LJFDIAJOROWSOJ-KRWDZBQOSA-N 2 2 342.487 3.055 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776871 1386581981 /nfs/dbraw/zinc/58/19/81/1386581981.db2.gz LJFDIAJOROWSOJ-KRWDZBQOSA-N 2 2 342.487 3.055 20 0 EGADLP CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001320723715 1386701982 /nfs/dbraw/zinc/70/19/82/1386701982.db2.gz VBHGPIRBDINUPE-KRWDZBQOSA-N 2 2 327.428 3.098 20 0 EGADLP CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001320723715 1386701989 /nfs/dbraw/zinc/70/19/89/1386701989.db2.gz VBHGPIRBDINUPE-KRWDZBQOSA-N 2 2 327.428 3.098 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001180470758 1386806915 /nfs/dbraw/zinc/80/69/15/1386806915.db2.gz UAONPOAVFTYUAZ-UHFFFAOYSA-N 2 2 348.878 3.003 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]Cc1cccc(Cl)c1 ZINC001180470842 1386807363 /nfs/dbraw/zinc/80/73/63/1386807363.db2.gz XAUIVBTTWHRCRU-UHFFFAOYSA-N 2 2 348.878 3.003 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001321599635 1386937918 /nfs/dbraw/zinc/93/79/18/1386937918.db2.gz HIKXSHDFDRZUEI-SJORKVTESA-N 2 2 348.450 3.341 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2ccccc2n1C ZINC001321818975 1386990383 /nfs/dbraw/zinc/99/03/83/1386990383.db2.gz NREXNDTVDJDGKT-UHFFFAOYSA-N 2 2 331.379 3.320 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001181902897 1387073660 /nfs/dbraw/zinc/07/36/60/1387073660.db2.gz BZQVWLDMPCURRW-JLTOFOAXSA-N 2 2 340.471 3.051 20 0 EGADLP CCCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182768075 1387221451 /nfs/dbraw/zinc/22/14/51/1387221451.db2.gz ZQVBCCWIZNVMLS-ZHALLVOQSA-N 2 2 334.508 3.099 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc(Cl)cc1 ZINC001322845667 1387245807 /nfs/dbraw/zinc/24/58/07/1387245807.db2.gz KAADYMOVUQDDHT-UHFFFAOYSA-N 2 2 342.786 3.247 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC001330558649 1389454604 /nfs/dbraw/zinc/45/46/04/1389454604.db2.gz HERAIJDOCIZMQC-AWEZNQCLSA-N 2 2 326.469 3.485 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001330558649 1389454608 /nfs/dbraw/zinc/45/46/08/1389454608.db2.gz HERAIJDOCIZMQC-AWEZNQCLSA-N 2 2 326.469 3.485 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC001338418237 1389679853 /nfs/dbraw/zinc/67/98/53/1389679853.db2.gz LBKNYLKNKMMYEH-WOJBJXKFSA-N 2 2 335.451 3.336 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001331761707 1389868250 /nfs/dbraw/zinc/86/82/50/1389868250.db2.gz HBPDLKVQNAVUPR-YPMHNXCESA-N 2 2 349.828 3.365 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001331761707 1389868256 /nfs/dbraw/zinc/86/82/56/1389868256.db2.gz HBPDLKVQNAVUPR-YPMHNXCESA-N 2 2 349.828 3.365 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332276210 1390073868 /nfs/dbraw/zinc/07/38/68/1390073868.db2.gz YLEBHMHKUDJYTO-RTWAWAEBSA-N 2 2 343.515 3.271 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332276210 1390073872 /nfs/dbraw/zinc/07/38/72/1390073872.db2.gz YLEBHMHKUDJYTO-RTWAWAEBSA-N 2 2 343.515 3.271 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC001332966222 1390226063 /nfs/dbraw/zinc/22/60/63/1390226063.db2.gz WZXULGOZHNJOIY-HOTGVXAUSA-N 2 2 347.503 3.013 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)[nH+]1 ZINC001340940996 1390409747 /nfs/dbraw/zinc/40/97/47/1390409747.db2.gz WTCUEZXGELQGIM-OAHLLOKOSA-N 2 2 326.444 3.333 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2noc3c2CCCC3)[nH+]1 ZINC001340940996 1390409749 /nfs/dbraw/zinc/40/97/49/1390409749.db2.gz WTCUEZXGELQGIM-OAHLLOKOSA-N 2 2 326.444 3.333 20 0 EGADLP CO[C@@H]1CCC[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)C1 ZINC001344379750 1390787893 /nfs/dbraw/zinc/78/78/93/1390787893.db2.gz BOUWWLYLTCYAHN-HUUCEWRRSA-N 2 2 328.416 3.110 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC(F)(F)C(F)(F)F ZINC001348547743 1391235434 /nfs/dbraw/zinc/23/54/34/1391235434.db2.gz HSAAEEHJHBBAIP-UHFFFAOYSA-N 2 2 334.248 3.102 20 0 EGADLP Cc1cccc([C@@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC001351413109 1391638046 /nfs/dbraw/zinc/63/80/46/1391638046.db2.gz DNCLRRFLLLKBMP-IBGZPJMESA-N 2 2 326.440 3.275 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001480487043 1392767465 /nfs/dbraw/zinc/76/74/65/1392767465.db2.gz RNAAPCYVIHWBNW-AWEZNQCLSA-N 2 2 342.487 3.487 20 0 EGADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001480767287 1392921256 /nfs/dbraw/zinc/92/12/56/1392921256.db2.gz JGSHMTVVHSBKMZ-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001480767287 1392921259 /nfs/dbraw/zinc/92/12/59/1392921259.db2.gz JGSHMTVVHSBKMZ-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H]([NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001481256518 1393154171 /nfs/dbraw/zinc/15/41/71/1393154171.db2.gz MOXNKHZNFQTSQR-QGZVFWFLSA-N 2 2 336.439 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]C(C)C)c1ccc(C(C)C)cc1 ZINC001481359068 1393180879 /nfs/dbraw/zinc/18/08/79/1393180879.db2.gz DROZTADCDYSKCR-LJQANCHMSA-N 2 2 342.487 3.240 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001482334810 1394904052 /nfs/dbraw/zinc/90/40/52/1394904052.db2.gz APSXFFWQPNZFMM-CVEARBPZSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CC(C)C)CC(C)C)ccn12 ZINC001482383860 1394944592 /nfs/dbraw/zinc/94/45/92/1394944592.db2.gz DMGCZTVCWJATHE-QGZVFWFLSA-N 2 2 330.476 3.033 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001484173771 1395318829 /nfs/dbraw/zinc/31/88/29/1395318829.db2.gz FRHFOGHAFDHGES-FQEVSTJZSA-N 2 2 348.535 3.007 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001484173771 1395318835 /nfs/dbraw/zinc/31/88/35/1395318835.db2.gz FRHFOGHAFDHGES-FQEVSTJZSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cccn2cc(CC(=O)N(C)CC[C@H]([NH2+]C(C)C)C(C)C)[nH+]c12 ZINC001485437088 1395904290 /nfs/dbraw/zinc/90/42/90/1395904290.db2.gz DDWWZLXEXQCYCP-SFHVURJKSA-N 2 2 344.503 3.056 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001502714589 1396218931 /nfs/dbraw/zinc/21/89/31/1396218931.db2.gz BANBFCNSBJSKOV-KDOFPFPSSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699010199 1406837836 /nfs/dbraw/zinc/83/78/36/1406837836.db2.gz UISKRDMZUANUIR-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699010199 1406837840 /nfs/dbraw/zinc/83/78/40/1406837840.db2.gz UISKRDMZUANUIR-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699010199 1406837823 /nfs/dbraw/zinc/83/78/23/1406837823.db2.gz UISKRDMZUANUIR-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699010199 1406837828 /nfs/dbraw/zinc/83/78/28/1406837828.db2.gz UISKRDMZUANUIR-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001690023231 1404261356 /nfs/dbraw/zinc/26/13/56/1404261356.db2.gz JJQNUWHFRCFADN-MRXNPFEDSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001690023231 1404261359 /nfs/dbraw/zinc/26/13/59/1404261359.db2.gz JJQNUWHFRCFADN-MRXNPFEDSA-N 2 2 340.471 3.026 20 0 EGADLP CC1(C)CCC(C[NH2+][C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001690301670 1404460300 /nfs/dbraw/zinc/46/03/00/1404460300.db2.gz KCNDEGCTULZHBG-IYARVYRRSA-N 2 2 346.519 3.117 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001691867003 1405587359 /nfs/dbraw/zinc/58/73/59/1405587359.db2.gz KYBJZZSFZVJRSC-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001691867003 1405587362 /nfs/dbraw/zinc/58/73/62/1405587362.db2.gz KYBJZZSFZVJRSC-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447912 1412783183 /nfs/dbraw/zinc/78/31/83/1412783183.db2.gz SFJTURLMBNTRGX-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447912 1412783186 /nfs/dbraw/zinc/78/31/86/1412783186.db2.gz SFJTURLMBNTRGX-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447912 1412783190 /nfs/dbraw/zinc/78/31/90/1412783190.db2.gz SFJTURLMBNTRGX-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447912 1412783192 /nfs/dbraw/zinc/78/31/92/1412783192.db2.gz SFJTURLMBNTRGX-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001699979158 1413424113 /nfs/dbraw/zinc/42/41/13/1413424113.db2.gz KAVYZRILNOTNFB-WKILWMFISA-N 2 2 342.487 3.345 20 0 EGADLP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001700325014 1413794328 /nfs/dbraw/zinc/79/43/28/1413794328.db2.gz ABOGKOXRXVUTLE-HNNXBMFYSA-N 2 2 336.439 3.170 20 0 EGADLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCCC1 ZINC001700325325 1413794468 /nfs/dbraw/zinc/79/44/68/1413794468.db2.gz MDZJUKXKUOORTE-INIZCTEOSA-N 2 2 342.487 3.403 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001700698038 1414357032 /nfs/dbraw/zinc/35/70/32/1414357032.db2.gz IFWBRHZNYUWREC-GOSISDBHSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001700698038 1414357035 /nfs/dbraw/zinc/35/70/35/1414357035.db2.gz IFWBRHZNYUWREC-GOSISDBHSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001700765737 1414440037 /nfs/dbraw/zinc/44/00/37/1414440037.db2.gz BOGOVZGWZQALTL-JKSUJKDBSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001713268801 1417878505 /nfs/dbraw/zinc/87/85/05/1417878505.db2.gz HDWQIBWAVHCXPU-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001713320402 1417945110 /nfs/dbraw/zinc/94/51/10/1417945110.db2.gz UCGACJHBKPDPIB-STQMWFEESA-N 2 2 340.402 3.171 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713327519 1417951981 /nfs/dbraw/zinc/95/19/81/1417951981.db2.gz PJPDAZLOXPJTGV-IAGOWNOFSA-N 2 2 342.487 3.262 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@@H]([NH2+]C/C=C/Cl)C3)ccn12 ZINC001713372953 1417983546 /nfs/dbraw/zinc/98/35/46/1417983546.db2.gz LLJWOTUACSDQDI-SULOOQPXSA-N 2 2 346.862 3.026 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001713850517 1418646211 /nfs/dbraw/zinc/64/62/11/1418646211.db2.gz RKIQRCNFLZFWFV-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001713858201 1418654853 /nfs/dbraw/zinc/65/48/53/1418654853.db2.gz LQVVVRQWGMFURJ-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714049613 1418847729 /nfs/dbraw/zinc/84/77/29/1418847729.db2.gz WTRYYEAEFSDGHA-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714049613 1418847736 /nfs/dbraw/zinc/84/77/36/1418847736.db2.gz WTRYYEAEFSDGHA-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CC3CC(C)C3)C(C)C)ccn12 ZINC001715490553 1420172313 /nfs/dbraw/zinc/17/23/13/1420172313.db2.gz BKAONZQRNFIGQD-JFUPDXTOSA-N 2 2 342.487 3.033 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001716514449 1420744474 /nfs/dbraw/zinc/74/44/74/1420744474.db2.gz BYBWCZWXCKEQFQ-OALUTQOASA-N 2 2 346.519 3.118 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716974789 1421058621 /nfs/dbraw/zinc/05/86/21/1421058621.db2.gz FLLAVXOCULIRTL-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212929 1421187860 /nfs/dbraw/zinc/18/78/60/1421187860.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212929 1421187861 /nfs/dbraw/zinc/18/78/61/1421187861.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212929 1421187862 /nfs/dbraw/zinc/18/78/62/1421187862.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212929 1421187863 /nfs/dbraw/zinc/18/78/63/1421187863.db2.gz SFRNCRVGMHVZLR-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001724612073 1424953270 /nfs/dbraw/zinc/95/32/70/1424953270.db2.gz CQNGRDGRCGFHGG-BHIYHBOVSA-N 2 2 346.519 3.147 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731595632 1427638638 /nfs/dbraw/zinc/63/86/38/1427638638.db2.gz OXKRAFOOBJCZHL-KLAILNCOSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731595632 1427638641 /nfs/dbraw/zinc/63/86/41/1427638641.db2.gz OXKRAFOOBJCZHL-KLAILNCOSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001731796673 1427950815 /nfs/dbraw/zinc/95/08/15/1427950815.db2.gz OAJJTSOTPYQEDG-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001731796673 1427950818 /nfs/dbraw/zinc/95/08/18/1427950818.db2.gz OAJJTSOTPYQEDG-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001733690132 1429906844 /nfs/dbraw/zinc/90/68/44/1429906844.db2.gz NHBQERXZJJPRLA-XMTFNYHQSA-N 2 2 334.508 3.145 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733880179 1437707053 /nfs/dbraw/zinc/70/70/53/1437707053.db2.gz YUJCGCPEFRLPBC-CRAIPNDOSA-N 2 2 348.535 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733880179 1437707054 /nfs/dbraw/zinc/70/70/54/1437707054.db2.gz YUJCGCPEFRLPBC-CRAIPNDOSA-N 2 2 348.535 3.160 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456583 1438114074 /nfs/dbraw/zinc/11/40/74/1438114074.db2.gz HHICLBOWYUSKFC-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456583 1438114077 /nfs/dbraw/zinc/11/40/77/1438114077.db2.gz HHICLBOWYUSKFC-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456583 1438114079 /nfs/dbraw/zinc/11/40/79/1438114079.db2.gz HHICLBOWYUSKFC-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456583 1438114082 /nfs/dbraw/zinc/11/40/82/1438114082.db2.gz HHICLBOWYUSKFC-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001752156948 1440147287 /nfs/dbraw/zinc/14/72/87/1440147287.db2.gz JAPWBCWDKSNHSC-HZPDHXFCSA-N 2 2 334.508 3.138 20 0 EGADLP CC[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC001752202368 1440153632 /nfs/dbraw/zinc/15/36/32/1440153632.db2.gz TWKNNSCAIXFPGA-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC001752202368 1440153633 /nfs/dbraw/zinc/15/36/33/1440153633.db2.gz TWKNNSCAIXFPGA-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP CCCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001752439490 1440180942 /nfs/dbraw/zinc/18/09/42/1440180942.db2.gz GNGIWDUSHNQVKT-QZTJIDSGSA-N 2 2 346.519 3.406 20 0 EGADLP CCCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001752439490 1440180943 /nfs/dbraw/zinc/18/09/43/1440180943.db2.gz GNGIWDUSHNQVKT-QZTJIDSGSA-N 2 2 346.519 3.406 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507914 1440189654 /nfs/dbraw/zinc/18/96/54/1440189654.db2.gz IQPAHFDCWZYYIV-QZTJIDSGSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507914 1440189655 /nfs/dbraw/zinc/18/96/55/1440189655.db2.gz IQPAHFDCWZYYIV-QZTJIDSGSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507914 1440189656 /nfs/dbraw/zinc/18/96/56/1440189656.db2.gz IQPAHFDCWZYYIV-QZTJIDSGSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507914 1440189657 /nfs/dbraw/zinc/18/96/57/1440189657.db2.gz IQPAHFDCWZYYIV-QZTJIDSGSA-N 2 2 348.535 3.195 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783263 1440209920 /nfs/dbraw/zinc/20/99/20/1440209920.db2.gz WZGCDJJQIVNHIR-MSOLQXFVSA-N 2 2 334.508 3.099 20 0 EGADLP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783263 1440209921 /nfs/dbraw/zinc/20/99/21/1440209921.db2.gz WZGCDJJQIVNHIR-MSOLQXFVSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752802336 1440215270 /nfs/dbraw/zinc/21/52/70/1440215270.db2.gz DNOOIILSFRWTRW-INIZCTEOSA-N 2 2 342.487 3.212 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+][C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001752889476 1440240448 /nfs/dbraw/zinc/24/04/48/1440240448.db2.gz SEDQACMOIHTRIT-KXBFYZLASA-N 2 2 337.467 3.402 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001752945260 1440251319 /nfs/dbraw/zinc/25/13/19/1440251319.db2.gz JHARINICUJVMHD-CQSZACIVSA-N 2 2 343.393 3.011 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993645 1440260803 /nfs/dbraw/zinc/26/08/03/1440260803.db2.gz KSJOLEQMKOYMQF-HPFMTEOYSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993645 1440260804 /nfs/dbraw/zinc/26/08/04/1440260804.db2.gz KSJOLEQMKOYMQF-HPFMTEOYSA-N 2 2 346.519 3.022 20 0 EGADLP CCC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)Cc1ccsc1 ZINC001753145364 1440324054 /nfs/dbraw/zinc/32/40/54/1440324054.db2.gz FKNVWMGVRCVHHP-UHFFFAOYSA-N 2 2 342.468 3.038 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)Cc1ccsc1 ZINC001753145364 1440324055 /nfs/dbraw/zinc/32/40/55/1440324055.db2.gz FKNVWMGVRCVHHP-UHFFFAOYSA-N 2 2 342.468 3.038 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001753276748 1440346411 /nfs/dbraw/zinc/34/64/11/1440346411.db2.gz CUOFJOWFLVGGLQ-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCC(C)(C)C ZINC001753288300 1440349405 /nfs/dbraw/zinc/34/94/05/1440349405.db2.gz LIYSXTUHZKLCEB-QGZVFWFLSA-N 2 2 348.535 3.098 20 0 EGADLP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCC(C)(C)C ZINC001753288300 1440349406 /nfs/dbraw/zinc/34/94/06/1440349406.db2.gz LIYSXTUHZKLCEB-QGZVFWFLSA-N 2 2 348.535 3.098 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001753584545 1440441014 /nfs/dbraw/zinc/44/10/14/1440441014.db2.gz ZDYOFMUAYVIILC-QAQDUYKDSA-N 2 2 348.535 3.196 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001753620670 1440450395 /nfs/dbraw/zinc/45/03/95/1440450395.db2.gz BAJPKSZCPIMJQU-INIZCTEOSA-N 2 2 346.519 3.159 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CC2CC(C)C2)C(C)C)c(C)[nH+]1 ZINC001753834813 1440500564 /nfs/dbraw/zinc/50/05/64/1440500564.db2.gz OHWXWNZCNSEDDY-SYGMWZTRSA-N 2 2 331.504 3.397 20 0 EGADLP CN(CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753855540 1440508633 /nfs/dbraw/zinc/50/86/33/1440508633.db2.gz BNTLZOQSXHHDES-OWCLPIDISA-N 2 2 340.471 3.003 20 0 EGADLP CN(CC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753855540 1440508634 /nfs/dbraw/zinc/50/86/34/1440508634.db2.gz BNTLZOQSXHHDES-OWCLPIDISA-N 2 2 340.471 3.003 20 0 EGADLP CCC/C=C\CC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753858294 1440510268 /nfs/dbraw/zinc/51/02/68/1440510268.db2.gz UZQOPBBMNUDYDG-SREVYHEPSA-N 2 2 328.460 3.085 20 0 EGADLP CCC/C=C\CC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753858294 1440510269 /nfs/dbraw/zinc/51/02/69/1440510269.db2.gz UZQOPBBMNUDYDG-SREVYHEPSA-N 2 2 328.460 3.085 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001754283325 1440563602 /nfs/dbraw/zinc/56/36/02/1440563602.db2.gz JRAZEPMGSKAXEX-HOTGVXAUSA-N 2 2 325.456 3.476 20 0 EGADLP CCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001754463458 1440603961 /nfs/dbraw/zinc/60/39/61/1440603961.db2.gz CREGMIXUYVVFIB-WMZOPIPTSA-N 2 2 342.487 3.273 20 0 EGADLP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755074958 1440748176 /nfs/dbraw/zinc/74/81/76/1440748176.db2.gz RYUFIADYBPBJGS-UHFFFAOYSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cccnc2C)c(C)[nH+]1 ZINC001755246081 1440790680 /nfs/dbraw/zinc/79/06/80/1440790680.db2.gz KMKUNHROKMDXPJ-GJZGRUSLSA-N 2 2 340.471 3.007 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCC(C)CC1 ZINC001755592486 1440881743 /nfs/dbraw/zinc/88/17/43/1440881743.db2.gz FTTUFVCFZCEZRM-PCKAHOCUSA-N 2 2 342.487 3.439 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736661 1440911076 /nfs/dbraw/zinc/91/10/76/1440911076.db2.gz YTBQKLVSXHIATJ-ROUUACIJSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736661 1440911077 /nfs/dbraw/zinc/91/10/77/1440911077.db2.gz YTBQKLVSXHIATJ-ROUUACIJSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)ccn12 ZINC001755822371 1440926008 /nfs/dbraw/zinc/92/60/08/1440926008.db2.gz QFQRQEDJMFRLFW-BBRMVZONSA-N 2 2 348.466 3.125 20 0 EGADLP CN(C)c1cccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164629224 719058797 /nfs/dbraw/zinc/05/87/97/719058797.db2.gz WPKVLTXQRFXDCA-RBUKOAKNSA-N 2 2 336.483 3.248 20 0 EGADLP CN(C)c1cccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164629224 719058802 /nfs/dbraw/zinc/05/88/02/719058802.db2.gz WPKVLTXQRFXDCA-RBUKOAKNSA-N 2 2 336.483 3.248 20 0 EGADLP CCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164629909 719086912 /nfs/dbraw/zinc/08/69/12/719086912.db2.gz UCSPCAAPORNWDB-UYAOXDASSA-N 2 2 336.483 3.448 20 0 EGADLP CCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164629909 719086913 /nfs/dbraw/zinc/08/69/13/719086913.db2.gz UCSPCAAPORNWDB-UYAOXDASSA-N 2 2 336.483 3.448 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000368916495 168379193 /nfs/dbraw/zinc/37/91/93/168379193.db2.gz ZMUJWIPEOWYSDS-YSGRDPCXSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000368916495 168379194 /nfs/dbraw/zinc/37/91/94/168379194.db2.gz ZMUJWIPEOWYSDS-YSGRDPCXSA-N 2 2 328.431 3.284 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208406 282225833 /nfs/dbraw/zinc/22/58/33/282225833.db2.gz HVNWUSPQYDTUDC-PVAVHDDUSA-N 2 2 335.517 3.094 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208406 282225835 /nfs/dbraw/zinc/22/58/35/282225835.db2.gz HVNWUSPQYDTUDC-PVAVHDDUSA-N 2 2 335.517 3.094 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228461 283062604 /nfs/dbraw/zinc/06/26/04/283062604.db2.gz PYEOVXKKUDJRQQ-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228461 283062608 /nfs/dbraw/zinc/06/26/08/283062608.db2.gz PYEOVXKKUDJRQQ-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228461 283062611 /nfs/dbraw/zinc/06/26/11/283062611.db2.gz PYEOVXKKUDJRQQ-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228461 283062613 /nfs/dbraw/zinc/06/26/13/283062613.db2.gz PYEOVXKKUDJRQQ-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP Fc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037904767 202061300 /nfs/dbraw/zinc/06/13/00/202061300.db2.gz HZFOMGNELHGQRU-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037904767 202061302 /nfs/dbraw/zinc/06/13/02/202061302.db2.gz HZFOMGNELHGQRU-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993467 236089417 /nfs/dbraw/zinc/08/94/17/236089417.db2.gz NNYXUFFEITUUOK-QWRGUYRKSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993467 236089419 /nfs/dbraw/zinc/08/94/19/236089419.db2.gz NNYXUFFEITUUOK-QWRGUYRKSA-N 2 2 342.256 3.118 20 0 EGADLP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000261920428 283299679 /nfs/dbraw/zinc/29/96/79/283299679.db2.gz KJBFXARXJGAFIH-CYBMUJFWSA-N 2 2 348.878 3.200 20 0 EGADLP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000261920428 283299680 /nfs/dbraw/zinc/29/96/80/283299680.db2.gz KJBFXARXJGAFIH-CYBMUJFWSA-N 2 2 348.878 3.200 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)F ZINC000119904141 299294058 /nfs/dbraw/zinc/29/40/58/299294058.db2.gz NYBGEESHADBESW-KFWWJZLASA-N 2 2 342.430 3.438 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749007 549326230 /nfs/dbraw/zinc/32/62/30/549326230.db2.gz GEGQPWVBFLYLJV-FQEVSTJZSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749007 549326231 /nfs/dbraw/zinc/32/62/31/549326231.db2.gz GEGQPWVBFLYLJV-FQEVSTJZSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)[NH+]1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000009498028 201363742 /nfs/dbraw/zinc/36/37/42/201363742.db2.gz SHOBFBARZICDRP-UHFFFAOYSA-N 2 2 336.443 3.100 20 0 EGADLP Fc1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000193993567 240392735 /nfs/dbraw/zinc/39/27/35/240392735.db2.gz MXCYHHQRIIGLGA-FHLIZLRMSA-N 2 2 327.403 3.059 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090721046 203008962 /nfs/dbraw/zinc/00/89/62/203008962.db2.gz NLSAKUZCNQEZIH-SMDDNHRTSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090721046 203008965 /nfs/dbraw/zinc/00/89/65/203008965.db2.gz NLSAKUZCNQEZIH-SMDDNHRTSA-N 2 2 327.266 3.030 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000076001428 203330573 /nfs/dbraw/zinc/33/05/73/203330573.db2.gz LHINQUXFAVVHKQ-LJQANCHMSA-N 2 2 345.531 3.236 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000076001428 203330577 /nfs/dbraw/zinc/33/05/77/203330577.db2.gz LHINQUXFAVVHKQ-LJQANCHMSA-N 2 2 345.531 3.236 20 0 EGADLP CC(C)N(C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000076110040 203338455 /nfs/dbraw/zinc/33/84/55/203338455.db2.gz FRLVEMLLZMSZCA-FQEVSTJZSA-N 2 2 345.531 3.086 20 0 EGADLP CC(C)N(C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000076110040 203338458 /nfs/dbraw/zinc/33/84/58/203338458.db2.gz FRLVEMLLZMSZCA-FQEVSTJZSA-N 2 2 345.531 3.086 20 0 EGADLP CC(C)N(C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000076110040 203338461 /nfs/dbraw/zinc/33/84/61/203338461.db2.gz FRLVEMLLZMSZCA-FQEVSTJZSA-N 2 2 345.531 3.086 20 0 EGADLP CC(C)N(C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000076110040 203338464 /nfs/dbraw/zinc/33/84/64/203338464.db2.gz FRLVEMLLZMSZCA-FQEVSTJZSA-N 2 2 345.531 3.086 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093598123 203700749 /nfs/dbraw/zinc/70/07/49/203700749.db2.gz PHTPTRSJSPSYHP-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093598123 203700752 /nfs/dbraw/zinc/70/07/52/203700752.db2.gz PHTPTRSJSPSYHP-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000104098117 204097588 /nfs/dbraw/zinc/09/75/88/204097588.db2.gz XWOHPRXWJSDOTI-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000104098117 204097590 /nfs/dbraw/zinc/09/75/90/204097590.db2.gz XWOHPRXWJSDOTI-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000104098117 204097594 /nfs/dbraw/zinc/09/75/94/204097594.db2.gz XWOHPRXWJSDOTI-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000104098117 204097598 /nfs/dbraw/zinc/09/75/98/204097598.db2.gz XWOHPRXWJSDOTI-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1C ZINC000111244649 204344621 /nfs/dbraw/zinc/34/46/21/204344621.db2.gz DZOGNKJACLIBNJ-MRXNPFEDSA-N 2 2 326.444 3.164 20 0 EGADLP COCc1cc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)ccc1OC ZINC000130648174 205249385 /nfs/dbraw/zinc/24/93/85/205249385.db2.gz RSWRCKYQYUIAGK-OAHLLOKOSA-N 2 2 339.439 3.383 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000130948297 205265917 /nfs/dbraw/zinc/26/59/17/205265917.db2.gz PESKNGQBIIYFEN-UHFFFAOYSA-N 2 2 327.457 3.232 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000130948297 205265922 /nfs/dbraw/zinc/26/59/22/205265922.db2.gz PESKNGQBIIYFEN-UHFFFAOYSA-N 2 2 327.457 3.232 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132834237 205344110 /nfs/dbraw/zinc/34/41/10/205344110.db2.gz BYGVPADXESPNCI-UHFFFAOYSA-N 2 2 349.482 3.291 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3nc4c(cccc4F)n3C)n2c1 ZINC000156813977 206101104 /nfs/dbraw/zinc/10/11/04/206101104.db2.gz YIYNISPMHVEEBI-UHFFFAOYSA-N 2 2 337.402 3.001 20 0 EGADLP C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157551942 206142281 /nfs/dbraw/zinc/14/22/81/206142281.db2.gz LVHIZPGMVOLAPL-HNNXBMFYSA-N 2 2 336.443 3.041 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)cc1 ZINC000158881228 206214829 /nfs/dbraw/zinc/21/48/29/206214829.db2.gz OGWOQJDDPOLHFC-QZTJIDSGSA-N 2 2 340.471 3.215 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)cc1 ZINC000158881228 206214832 /nfs/dbraw/zinc/21/48/32/206214832.db2.gz OGWOQJDDPOLHFC-QZTJIDSGSA-N 2 2 340.471 3.215 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)n2)cc1 ZINC000158881228 206214836 /nfs/dbraw/zinc/21/48/36/206214836.db2.gz OGWOQJDDPOLHFC-QZTJIDSGSA-N 2 2 340.471 3.215 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)cc1 ZINC000158881228 206214839 /nfs/dbraw/zinc/21/48/39/206214839.db2.gz OGWOQJDDPOLHFC-QZTJIDSGSA-N 2 2 340.471 3.215 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc3c(c1)OCCO3)CCC2 ZINC000378186754 169082689 /nfs/dbraw/zinc/08/26/89/169082689.db2.gz YPUZIYBBRUEHPN-ZBFHGGJFSA-N 2 2 327.428 3.191 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367584 169108738 /nfs/dbraw/zinc/10/87/38/169108738.db2.gz DMLABODLWBUCCH-BMFZPTHFSA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367584 169108740 /nfs/dbraw/zinc/10/87/40/169108740.db2.gz DMLABODLWBUCCH-BMFZPTHFSA-N 2 2 337.533 3.124 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378397482 169114039 /nfs/dbraw/zinc/11/40/39/169114039.db2.gz BCWPVVCYAPRJMJ-KBPBESRZSA-N 2 2 339.277 3.174 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378397482 169114040 /nfs/dbraw/zinc/11/40/40/169114040.db2.gz BCWPVVCYAPRJMJ-KBPBESRZSA-N 2 2 339.277 3.174 20 0 EGADLP FC(F)n1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)nc2ccccc21 ZINC000173370412 206920607 /nfs/dbraw/zinc/92/06/07/206920607.db2.gz WALQWAYYVKYNEX-UHFFFAOYSA-N 2 2 331.370 3.465 20 0 EGADLP Clc1c[nH+]ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000267431359 251050245 /nfs/dbraw/zinc/05/02/45/251050245.db2.gz WTOKBMBLKQDKGI-UHFFFAOYSA-N 2 2 347.846 3.058 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451754 251070319 /nfs/dbraw/zinc/07/03/19/251070319.db2.gz RRMGBYHLNDATTB-HOTGVXAUSA-N 2 2 326.444 3.031 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451754 251070322 /nfs/dbraw/zinc/07/03/22/251070322.db2.gz RRMGBYHLNDATTB-HOTGVXAUSA-N 2 2 326.444 3.031 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Cl)c1 ZINC000268794368 252245556 /nfs/dbraw/zinc/24/55/56/252245556.db2.gz FDEHAGQOIKHYAQ-CHWSQXEVSA-N 2 2 344.850 3.165 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268795674 252248697 /nfs/dbraw/zinc/24/86/97/252248697.db2.gz FYOBMDMTENMKPY-GJZGRUSLSA-N 2 2 329.448 3.152 20 0 EGADLP CCCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268851436 252298054 /nfs/dbraw/zinc/29/80/54/252298054.db2.gz CIRJZWCRIQSQGZ-HKUYNNGSSA-N 2 2 333.520 3.152 20 0 EGADLP CCCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268851436 252298058 /nfs/dbraw/zinc/29/80/58/252298058.db2.gz CIRJZWCRIQSQGZ-HKUYNNGSSA-N 2 2 333.520 3.152 20 0 EGADLP O=C(CCCC[NH2+]Cc1cccc2[nH+]ccn21)OCc1ccccc1 ZINC000181027096 207873920 /nfs/dbraw/zinc/87/39/20/207873920.db2.gz XYFLSIAAKWNKPQ-UHFFFAOYSA-N 2 2 337.423 3.338 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000237446980 141002423 /nfs/dbraw/zinc/00/24/23/141002423.db2.gz ZMUJWIPEOWYSDS-CDHQVMDDSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000237446980 141002427 /nfs/dbraw/zinc/00/24/27/141002427.db2.gz ZMUJWIPEOWYSDS-CDHQVMDDSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000237512922 141005952 /nfs/dbraw/zinc/00/59/52/141005952.db2.gz ZMUJWIPEOWYSDS-CWFSZBLJSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000237512922 141005953 /nfs/dbraw/zinc/00/59/53/141005953.db2.gz ZMUJWIPEOWYSDS-CWFSZBLJSA-N 2 2 328.431 3.284 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246817566 141036636 /nfs/dbraw/zinc/03/66/36/141036636.db2.gz JDDWNUKUPOJCOJ-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246817566 141036637 /nfs/dbraw/zinc/03/66/37/141036637.db2.gz JDDWNUKUPOJCOJ-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246817566 141036638 /nfs/dbraw/zinc/03/66/38/141036638.db2.gz JDDWNUKUPOJCOJ-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246817566 141036639 /nfs/dbraw/zinc/03/66/39/141036639.db2.gz JDDWNUKUPOJCOJ-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC000246946891 141045163 /nfs/dbraw/zinc/04/51/63/141045163.db2.gz JDFHASDUWFRBIK-WMLDXEAASA-N 2 2 332.492 3.211 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC000246946891 141045164 /nfs/dbraw/zinc/04/51/64/141045164.db2.gz JDFHASDUWFRBIK-WMLDXEAASA-N 2 2 332.492 3.211 20 0 EGADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374423 141110571 /nfs/dbraw/zinc/11/05/71/141110571.db2.gz UJIVYGWMSICLBG-HKUYNNGSSA-N 2 2 347.503 3.332 20 0 EGADLP c1[nH+]c([C@H]2CCC[N@H+](CCCO[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374423 141110572 /nfs/dbraw/zinc/11/05/72/141110572.db2.gz UJIVYGWMSICLBG-HKUYNNGSSA-N 2 2 347.503 3.332 20 0 EGADLP Cc1cccn2c(C[NH2+]CCc3cc(C(F)(F)F)ccn3)c[nH+]c12 ZINC000339485649 141121426 /nfs/dbraw/zinc/12/14/26/141121426.db2.gz VGHHEECNTWCOMD-UHFFFAOYSA-N 2 2 334.345 3.389 20 0 EGADLP c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341264241 141147481 /nfs/dbraw/zinc/14/74/81/141147481.db2.gz BZGJEXFMRPRAMA-SFHVURJKSA-N 2 2 325.481 3.483 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc3ccccc3o2)CC[N@H+](Cc2ccccc2)C1 ZINC000344515009 141167945 /nfs/dbraw/zinc/16/79/45/141167945.db2.gz CPIOTJFUTMCMFW-OAQYLSRUSA-N 2 2 336.435 3.159 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc3ccccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344515009 141167948 /nfs/dbraw/zinc/16/79/48/141167948.db2.gz CPIOTJFUTMCMFW-OAQYLSRUSA-N 2 2 336.435 3.159 20 0 EGADLP C[C@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971599 141226407 /nfs/dbraw/zinc/22/64/07/141226407.db2.gz XYUFCUMNRNHOHF-SXLOBPIMSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971599 141226410 /nfs/dbraw/zinc/22/64/10/141226410.db2.gz XYUFCUMNRNHOHF-SXLOBPIMSA-N 2 2 341.499 3.383 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)C1 ZINC000352969038 141280193 /nfs/dbraw/zinc/28/01/93/141280193.db2.gz PVLUJGMRKIAECK-MISXGVKJSA-N 2 2 332.414 3.053 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)C1 ZINC000352969038 141280195 /nfs/dbraw/zinc/28/01/95/141280195.db2.gz PVLUJGMRKIAECK-MISXGVKJSA-N 2 2 332.414 3.053 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(NC(=O)c3ccsc3)CC2)c[nH+]1 ZINC000353442391 141296122 /nfs/dbraw/zinc/29/61/22/141296122.db2.gz VEZWGABMKBSEPD-UHFFFAOYSA-N 2 2 343.496 3.279 20 0 EGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354625462 141316641 /nfs/dbraw/zinc/31/66/41/141316641.db2.gz FZBIQMUCWOQUOW-QGZVFWFLSA-N 2 2 346.496 3.083 20 0 EGADLP CSc1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccn1 ZINC000356846022 141353099 /nfs/dbraw/zinc/35/30/99/141353099.db2.gz IZFMDHVBANTKAT-UHFFFAOYSA-N 2 2 333.423 3.310 20 0 EGADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357962893 141368520 /nfs/dbraw/zinc/36/85/20/141368520.db2.gz HMWZFSHUDITZQP-MRXNPFEDSA-N 2 2 346.519 3.221 20 0 EGADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000357962893 141368523 /nfs/dbraw/zinc/36/85/23/141368523.db2.gz HMWZFSHUDITZQP-MRXNPFEDSA-N 2 2 346.519 3.221 20 0 EGADLP COCCn1c2ccccc2[nH+]c1NCc1c[nH+]c2c(C)cccn12 ZINC000185849859 144120608 /nfs/dbraw/zinc/12/06/08/144120608.db2.gz LFCYMSFNVRSVGR-UHFFFAOYSA-N 2 2 335.411 3.251 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@@H+]1C ZINC000344631868 144202244 /nfs/dbraw/zinc/20/22/44/144202244.db2.gz PCZJNXGHRKPEBH-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@H+]1C ZINC000344631868 144202246 /nfs/dbraw/zinc/20/22/46/144202246.db2.gz PCZJNXGHRKPEBH-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391181 144263622 /nfs/dbraw/zinc/26/36/22/144263622.db2.gz XPVLRISQQUEFMT-OAHLLOKOSA-N 2 2 343.298 3.413 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391181 144263623 /nfs/dbraw/zinc/26/36/23/144263623.db2.gz XPVLRISQQUEFMT-OAHLLOKOSA-N 2 2 343.298 3.413 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391181 144263626 /nfs/dbraw/zinc/26/36/26/144263626.db2.gz XPVLRISQQUEFMT-OAHLLOKOSA-N 2 2 343.298 3.413 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391181 144263627 /nfs/dbraw/zinc/26/36/27/144263627.db2.gz XPVLRISQQUEFMT-OAHLLOKOSA-N 2 2 343.298 3.413 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000351880227 144319827 /nfs/dbraw/zinc/31/98/27/144319827.db2.gz WWIXJNOLRWSASL-NRFANRHFSA-N 2 2 338.499 3.364 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000351880227 144319828 /nfs/dbraw/zinc/31/98/28/144319828.db2.gz WWIXJNOLRWSASL-NRFANRHFSA-N 2 2 338.499 3.364 20 0 EGADLP Cc1cc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000341462665 155306521 /nfs/dbraw/zinc/30/65/21/155306521.db2.gz BXINZYLCXWTFER-HNNXBMFYSA-N 2 2 332.398 3.077 20 0 EGADLP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000341480951 155316186 /nfs/dbraw/zinc/31/61/86/155316186.db2.gz DKNHPJMGIYEWSF-UHFFFAOYSA-N 2 2 343.446 3.026 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000117755745 152113555 /nfs/dbraw/zinc/11/35/55/152113555.db2.gz AZLMSFPNIGIHLU-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c(C[NH+](C)C)c1 ZINC000117805897 152117722 /nfs/dbraw/zinc/11/77/22/152117722.db2.gz XYCWFUUPPWEYLJ-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCc3nc(C4CC4)cs3)c12 ZINC000119706549 152223164 /nfs/dbraw/zinc/22/31/64/152223164.db2.gz KLDGGHGURKAIBP-UHFFFAOYSA-N 2 2 349.423 3.157 20 0 EGADLP COCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000122115034 152389658 /nfs/dbraw/zinc/38/96/58/152389658.db2.gz OHEMTYYIHBWFND-UWJYYQICSA-N 2 2 339.483 3.228 20 0 EGADLP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000122115034 152389664 /nfs/dbraw/zinc/38/96/64/152389664.db2.gz OHEMTYYIHBWFND-UWJYYQICSA-N 2 2 339.483 3.228 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cn1 ZINC000190852271 153163133 /nfs/dbraw/zinc/16/31/33/153163133.db2.gz KEMTUPJZZCESCA-UHFFFAOYSA-N 2 2 326.488 3.148 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cn1 ZINC000190852271 153163136 /nfs/dbraw/zinc/16/31/36/153163136.db2.gz KEMTUPJZZCESCA-UHFFFAOYSA-N 2 2 326.488 3.148 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000303649734 154053214 /nfs/dbraw/zinc/05/32/14/154053214.db2.gz DLULAJRHHTUCIW-SFHVURJKSA-N 2 2 349.438 3.109 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H]3c3ccccc3)c2cc1C ZINC000336894028 154232771 /nfs/dbraw/zinc/23/27/71/154232771.db2.gz VQWPZDRGXUJRET-AZUAARDMSA-N 2 2 335.451 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H]3c3ccccc3)c2cc1C ZINC000336894028 154232774 /nfs/dbraw/zinc/23/27/74/154232774.db2.gz VQWPZDRGXUJRET-AZUAARDMSA-N 2 2 335.451 3.461 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337338263 154291970 /nfs/dbraw/zinc/29/19/70/154291970.db2.gz NQXQMZOTRWYOHA-YZGWKJHDSA-N 2 2 331.504 3.054 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337338263 154291972 /nfs/dbraw/zinc/29/19/72/154291972.db2.gz NQXQMZOTRWYOHA-YZGWKJHDSA-N 2 2 331.504 3.054 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nn1C ZINC000337493059 154381732 /nfs/dbraw/zinc/38/17/32/154381732.db2.gz XGQPIEQWHGWPGN-UWJYYQICSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)nn1C ZINC000337493059 154381735 /nfs/dbraw/zinc/38/17/35/154381735.db2.gz XGQPIEQWHGWPGN-UWJYYQICSA-N 2 2 340.515 3.462 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346823570 156152824 /nfs/dbraw/zinc/15/28/24/156152824.db2.gz HGCJVZZYHXIKBU-QFUCXCTJSA-N 2 2 342.483 3.337 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000346823570 156152828 /nfs/dbraw/zinc/15/28/28/156152828.db2.gz HGCJVZZYHXIKBU-QFUCXCTJSA-N 2 2 342.483 3.337 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@H](C[NH3+])C1 ZINC000346851378 156165010 /nfs/dbraw/zinc/16/50/10/156165010.db2.gz JIGJEGNREWDSQN-JKSUJKDBSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@H](C[NH3+])C1 ZINC000346851378 156165011 /nfs/dbraw/zinc/16/50/11/156165011.db2.gz JIGJEGNREWDSQN-JKSUJKDBSA-N 2 2 334.460 3.492 20 0 EGADLP COc1cc2c(c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c1)O[C@H](C)C2 ZINC000348871543 156270372 /nfs/dbraw/zinc/27/03/72/156270372.db2.gz XTQGDOPEUHLFHK-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c1)O[C@H](C)C2 ZINC000348871543 156270374 /nfs/dbraw/zinc/27/03/74/156270374.db2.gz XTQGDOPEUHLFHK-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c1)O[C@H](C)C2 ZINC000348871543 156270380 /nfs/dbraw/zinc/27/03/80/156270380.db2.gz XTQGDOPEUHLFHK-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c1)O[C@H](C)C2 ZINC000348871543 156270384 /nfs/dbraw/zinc/27/03/84/156270384.db2.gz XTQGDOPEUHLFHK-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP CCCCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365500683 157147663 /nfs/dbraw/zinc/14/76/63/157147663.db2.gz DEAIUMGBGAMLSS-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365500683 157147666 /nfs/dbraw/zinc/14/76/66/157147666.db2.gz DEAIUMGBGAMLSS-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000365618252 157194126 /nfs/dbraw/zinc/19/41/26/157194126.db2.gz AALAHFDQDIOFNV-ZDUSSCGKSA-N 2 2 337.826 3.471 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000365618252 157194131 /nfs/dbraw/zinc/19/41/31/157194131.db2.gz AALAHFDQDIOFNV-ZDUSSCGKSA-N 2 2 337.826 3.471 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000365700635 157220977 /nfs/dbraw/zinc/22/09/77/157220977.db2.gz ISIWJMXIJOXZLK-LPHOPBHVSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000365700635 157220980 /nfs/dbraw/zinc/22/09/80/157220980.db2.gz ISIWJMXIJOXZLK-LPHOPBHVSA-N 2 2 335.923 3.106 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000368585426 157227635 /nfs/dbraw/zinc/22/76/35/157227635.db2.gz QWDJBDOMPUGUAV-JLTOFOAXSA-N 2 2 341.430 3.297 20 0 EGADLP C[C@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C(C)(C)C[NH+](C)C ZINC000378116327 157473283 /nfs/dbraw/zinc/47/32/83/157473283.db2.gz WEZXICZJNGBQPI-AWEZNQCLSA-N 2 2 343.475 3.185 20 0 EGADLP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc(OC2CCCC2)c1 ZINC000093664117 162020516 /nfs/dbraw/zinc/02/05/16/162020516.db2.gz ZGIBZQXIPVCRQQ-LJQANCHMSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc(OC2CCCC2)c1 ZINC000093664117 162020522 /nfs/dbraw/zinc/02/05/22/162020522.db2.gz ZGIBZQXIPVCRQQ-LJQANCHMSA-N 2 2 344.499 3.162 20 0 EGADLP CCn1cc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000112095944 162162704 /nfs/dbraw/zinc/16/27/04/162162704.db2.gz NIIPNFGKROKCKY-HXUWFJFHSA-N 2 2 326.488 3.076 20 0 EGADLP CCn1cc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000112095944 162162708 /nfs/dbraw/zinc/16/27/08/162162708.db2.gz NIIPNFGKROKCKY-HXUWFJFHSA-N 2 2 326.488 3.076 20 0 EGADLP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000113934204 162219445 /nfs/dbraw/zinc/21/94/45/162219445.db2.gz DLIPGPWVXFISJZ-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000113934204 162219448 /nfs/dbraw/zinc/21/94/48/162219448.db2.gz DLIPGPWVXFISJZ-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000113934204 162219450 /nfs/dbraw/zinc/21/94/50/162219450.db2.gz DLIPGPWVXFISJZ-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000113934204 162219453 /nfs/dbraw/zinc/21/94/53/162219453.db2.gz DLIPGPWVXFISJZ-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000126390426 162301529 /nfs/dbraw/zinc/30/15/29/162301529.db2.gz FGJKNGSRIVNBSB-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1OC ZINC000249126564 163058406 /nfs/dbraw/zinc/05/84/06/163058406.db2.gz UGVQQDSQGZZNHS-IRXDYDNUSA-N 2 2 347.503 3.185 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1OC ZINC000249126564 163058409 /nfs/dbraw/zinc/05/84/09/163058409.db2.gz UGVQQDSQGZZNHS-IRXDYDNUSA-N 2 2 347.503 3.185 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305110386 163074312 /nfs/dbraw/zinc/07/43/12/163074312.db2.gz FPEDBNLGQDNKAG-XJKSGUPXSA-N 2 2 333.501 3.000 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000337217996 163166898 /nfs/dbraw/zinc/16/68/98/163166898.db2.gz BOGJOZPVVIPYMK-SFHVURJKSA-N 2 2 349.906 3.253 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000337217996 163166900 /nfs/dbraw/zinc/16/69/00/163166900.db2.gz BOGJOZPVVIPYMK-SFHVURJKSA-N 2 2 349.906 3.253 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccnc(OC3CCOCC3)c2)c[nH+]1 ZINC000354330762 166004594 /nfs/dbraw/zinc/00/45/94/166004594.db2.gz PHUHDFHXRXLSQS-UHFFFAOYSA-N 2 2 341.455 3.065 20 0 EGADLP Fc1ccc2cc[nH+]c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000354342950 166006232 /nfs/dbraw/zinc/00/62/32/166006232.db2.gz ZCCIZMJGGPWZGH-AWEZNQCLSA-N 2 2 329.419 3.287 20 0 EGADLP COc1cc(OC)cc(C2(F)CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000338633153 163299220 /nfs/dbraw/zinc/29/92/20/163299220.db2.gz OAVGFFXQLMVLDL-UHFFFAOYSA-N 2 2 347.434 3.170 20 0 EGADLP CSc1ccc([C@@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1 ZINC000338836709 163360289 /nfs/dbraw/zinc/36/02/89/163360289.db2.gz LUPIBAXBKOUYMG-MRXNPFEDSA-N 2 2 330.501 3.459 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000354402050 166014186 /nfs/dbraw/zinc/01/41/86/166014186.db2.gz UMJBEWHJESVVCL-UXPWSPDFSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000354402050 166014188 /nfs/dbraw/zinc/01/41/88/166014188.db2.gz UMJBEWHJESVVCL-UXPWSPDFSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344128140 164110154 /nfs/dbraw/zinc/11/01/54/164110154.db2.gz JCXCOGPLOHAUIO-UMSONDCASA-N 2 2 343.515 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344128140 164110158 /nfs/dbraw/zinc/11/01/58/164110158.db2.gz JCXCOGPLOHAUIO-UMSONDCASA-N 2 2 343.515 3.087 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@H]2c2ccnn2C(C)C)c[nH+]1 ZINC000344250952 164137889 /nfs/dbraw/zinc/13/78/89/164137889.db2.gz INLPBKITYSATKB-IEBWSBKVSA-N 2 2 328.460 3.220 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000344269555 164142663 /nfs/dbraw/zinc/14/26/63/164142663.db2.gz KFQGKUFTMFVZEW-KRWDZBQOSA-N 2 2 340.471 3.175 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000344269555 164142665 /nfs/dbraw/zinc/14/26/65/164142665.db2.gz KFQGKUFTMFVZEW-KRWDZBQOSA-N 2 2 340.471 3.175 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000346009418 164316807 /nfs/dbraw/zinc/31/68/07/164316807.db2.gz CINMWUKSSMCRSR-AEFFLSMTSA-N 2 2 340.471 3.029 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccccc1 ZINC000346009418 164316809 /nfs/dbraw/zinc/31/68/09/164316809.db2.gz CINMWUKSSMCRSR-AEFFLSMTSA-N 2 2 340.471 3.029 20 0 EGADLP COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346327804 164369253 /nfs/dbraw/zinc/36/92/53/164369253.db2.gz IQJLHJXSFVMRBE-VQTJNVASSA-N 2 2 342.483 3.481 20 0 EGADLP COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346327804 164369255 /nfs/dbraw/zinc/36/92/55/164369255.db2.gz IQJLHJXSFVMRBE-VQTJNVASSA-N 2 2 342.483 3.481 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346422492 164384426 /nfs/dbraw/zinc/38/44/26/164384426.db2.gz AWDJOIWSZFJNIK-GOSISDBHSA-N 2 2 332.488 3.363 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346422492 164384428 /nfs/dbraw/zinc/38/44/28/164384428.db2.gz AWDJOIWSZFJNIK-GOSISDBHSA-N 2 2 332.488 3.363 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000346502551 164387620 /nfs/dbraw/zinc/38/76/20/164387620.db2.gz MZKUZWNNQCPKLK-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000346502551 164387621 /nfs/dbraw/zinc/38/76/21/164387621.db2.gz MZKUZWNNQCPKLK-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503833 164388257 /nfs/dbraw/zinc/38/82/57/164388257.db2.gz WMGZJUXVBKXZRQ-YWZLYKJASA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503833 164388260 /nfs/dbraw/zinc/38/82/60/164388260.db2.gz WMGZJUXVBKXZRQ-YWZLYKJASA-N 2 2 325.431 3.384 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000354933840 166067334 /nfs/dbraw/zinc/06/73/34/166067334.db2.gz HSZAMBVBEICKRM-JKSUJKDBSA-N 2 2 330.394 3.396 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000354972984 166076329 /nfs/dbraw/zinc/07/63/29/166076329.db2.gz VOJIPDOLNUPYQO-OKDNKWQNSA-N 2 2 342.512 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000354972984 166076332 /nfs/dbraw/zinc/07/63/32/166076332.db2.gz VOJIPDOLNUPYQO-OKDNKWQNSA-N 2 2 342.512 3.408 20 0 EGADLP c1onc(Cc2ccccc2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351643906 165113635 /nfs/dbraw/zinc/11/36/35/165113635.db2.gz KNTCLTHAKMUWKD-SFHVURJKSA-N 2 2 325.456 3.183 20 0 EGADLP c1onc(Cc2ccccc2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351643906 165113637 /nfs/dbraw/zinc/11/36/37/165113637.db2.gz KNTCLTHAKMUWKD-SFHVURJKSA-N 2 2 325.456 3.183 20 0 EGADLP COc1ccccc1[C@@H](CNC(=O)Nc1c(C)cc[nH+]c1C)[NH+](C)C ZINC000351942118 165160565 /nfs/dbraw/zinc/16/05/65/165160565.db2.gz AWTACHSNXKTXBX-MRXNPFEDSA-N 2 2 342.443 3.131 20 0 EGADLP CCc1ccc([C@@H](CNCc2ncc(C[NH+](C)C)s2)[NH+](C)C)cc1 ZINC000352250251 165308256 /nfs/dbraw/zinc/30/82/56/165308256.db2.gz FIHBOUCGVXTWON-GOSISDBHSA-N 2 2 346.544 3.160 20 0 EGADLP CCc1ccc([C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)N(C)C)cc1 ZINC000352250251 165308261 /nfs/dbraw/zinc/30/82/61/165308261.db2.gz FIHBOUCGVXTWON-GOSISDBHSA-N 2 2 346.544 3.160 20 0 EGADLP C[C@@H]1CCSCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352406841 165384891 /nfs/dbraw/zinc/38/48/91/165384891.db2.gz NYNHEGOTEYQJNQ-GOSISDBHSA-N 2 2 333.545 3.026 20 0 EGADLP C[C@@H]1CCSCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352406841 165384892 /nfs/dbraw/zinc/38/48/92/165384892.db2.gz NYNHEGOTEYQJNQ-GOSISDBHSA-N 2 2 333.545 3.026 20 0 EGADLP CCOC(=O)[C@@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000355145517 166117676 /nfs/dbraw/zinc/11/76/76/166117676.db2.gz AQXBAZKPTHFZPJ-NRFANRHFSA-N 2 2 340.467 3.433 20 0 EGADLP Cc1cccc2ncc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)n21 ZINC000355300168 166156826 /nfs/dbraw/zinc/15/68/26/166156826.db2.gz ZJYPXGWIMOSGJG-WOJBJXKFSA-N 2 2 346.478 3.207 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000355367366 166176723 /nfs/dbraw/zinc/17/67/23/166176723.db2.gz OWQDKBRGNBHFJZ-MRXNPFEDSA-N 2 2 343.471 3.282 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000355367366 166176726 /nfs/dbraw/zinc/17/67/26/166176726.db2.gz OWQDKBRGNBHFJZ-MRXNPFEDSA-N 2 2 343.471 3.282 20 0 EGADLP Cn1cc[nH+]c1[C@H](NCC1(C[NH+](C)C)CCCC1)c1cccc(F)c1 ZINC000355503499 166223842 /nfs/dbraw/zinc/22/38/42/166223842.db2.gz BKDUVJIKLXNVHK-GOSISDBHSA-N 2 2 344.478 3.360 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000359223640 167099810 /nfs/dbraw/zinc/09/98/10/167099810.db2.gz KRFBVXQYYJCNCQ-RHSMWYFYSA-N 2 2 328.859 3.223 20 0 EGADLP Cc1[nH+]c2ccc(Br)cc2c(NCc2[nH+]ccn2C)c1C ZINC000359496708 167171908 /nfs/dbraw/zinc/17/19/08/167171908.db2.gz NKDFBTZEWUHPPF-UHFFFAOYSA-N 2 2 345.244 3.382 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000359857048 167250747 /nfs/dbraw/zinc/25/07/47/167250747.db2.gz WSZZSTOGMLTBDC-NRFANRHFSA-N 2 2 332.451 3.374 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000359857048 167250749 /nfs/dbraw/zinc/25/07/49/167250749.db2.gz WSZZSTOGMLTBDC-NRFANRHFSA-N 2 2 332.451 3.374 20 0 EGADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC23CCCCC3)([NH+]2CCCCC2)CC1 ZINC000360353339 167310082 /nfs/dbraw/zinc/31/00/82/167310082.db2.gz GOSYKLMIQQONDX-SFHVURJKSA-N 2 2 347.547 3.023 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000360567043 167359928 /nfs/dbraw/zinc/35/99/28/167359928.db2.gz CEZRMISTJNTKIW-LJQANCHMSA-N 2 2 326.444 3.045 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000360567043 167359931 /nfs/dbraw/zinc/35/99/31/167359931.db2.gz CEZRMISTJNTKIW-LJQANCHMSA-N 2 2 326.444 3.045 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000366345919 168109164 /nfs/dbraw/zinc/10/91/64/168109164.db2.gz KOSSELHMLRRNBG-OAHLLOKOSA-N 2 2 348.441 3.463 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000367359655 168214072 /nfs/dbraw/zinc/21/40/72/168214072.db2.gz AHMMPHKEBALUOG-DNVCBOLYSA-N 2 2 345.512 3.198 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000367359655 168214074 /nfs/dbraw/zinc/21/40/74/168214074.db2.gz AHMMPHKEBALUOG-DNVCBOLYSA-N 2 2 345.512 3.198 20 0 EGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000367450207 168227288 /nfs/dbraw/zinc/22/72/88/168227288.db2.gz HDCUDTABNCXRBY-SJLPKXTDSA-N 2 2 327.476 3.002 20 0 EGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000367450207 168227290 /nfs/dbraw/zinc/22/72/90/168227290.db2.gz HDCUDTABNCXRBY-SJLPKXTDSA-N 2 2 327.476 3.002 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000367589672 168245288 /nfs/dbraw/zinc/24/52/88/168245288.db2.gz QFQIFZRKRNSBPF-NUEKZKHPSA-N 2 2 338.879 3.171 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000367589672 168245289 /nfs/dbraw/zinc/24/52/89/168245289.db2.gz QFQIFZRKRNSBPF-NUEKZKHPSA-N 2 2 338.879 3.171 20 0 EGADLP COCCOCc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000367963934 168290113 /nfs/dbraw/zinc/29/01/13/168290113.db2.gz SHFIXGNZXOBAFD-IBGZPJMESA-N 2 2 343.471 3.022 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124240641 222397537 /nfs/dbraw/zinc/39/75/37/222397537.db2.gz NJPWASHGQGPKCY-UHFFFAOYSA-N 2 2 328.460 3.276 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124240641 222397540 /nfs/dbraw/zinc/39/75/40/222397540.db2.gz NJPWASHGQGPKCY-UHFFFAOYSA-N 2 2 328.460 3.276 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354563 265249114 /nfs/dbraw/zinc/24/91/14/265249114.db2.gz KBRGWBJALUQWQW-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354563 265249115 /nfs/dbraw/zinc/24/91/15/265249115.db2.gz KBRGWBJALUQWQW-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354563 265249116 /nfs/dbraw/zinc/24/91/16/265249116.db2.gz KBRGWBJALUQWQW-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354563 265249117 /nfs/dbraw/zinc/24/91/17/265249117.db2.gz KBRGWBJALUQWQW-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177484393 265256506 /nfs/dbraw/zinc/25/65/06/265256506.db2.gz AANWGFDWMLAQHZ-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)c2cc1C ZINC000177580439 265265092 /nfs/dbraw/zinc/26/50/92/265265092.db2.gz SVKUJOLGQCXOMI-KSZLIROESA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)c2cc1C ZINC000177580439 265265093 /nfs/dbraw/zinc/26/50/93/265265093.db2.gz SVKUJOLGQCXOMI-KSZLIROESA-N 2 2 327.472 3.136 20 0 EGADLP Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000191583725 265918373 /nfs/dbraw/zinc/91/83/73/265918373.db2.gz BRDMYJGIZDSSTD-PXNSSMCTSA-N 2 2 335.451 3.435 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCC([NH3+])CC2)C(C)C)cc1 ZINC000236685380 266210424 /nfs/dbraw/zinc/21/04/24/266210424.db2.gz PALRLKYVQZNFLF-FQEVSTJZSA-N 2 2 331.504 3.046 20 0 EGADLP O[C@H](c1ccccc1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000267062353 266279979 /nfs/dbraw/zinc/27/99/79/266279979.db2.gz MPKUNXZYJNMCIV-OAQYLSRUSA-N 2 2 348.450 3.213 20 0 EGADLP CC(C)(C)SCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000269845136 266366857 /nfs/dbraw/zinc/36/68/57/266366857.db2.gz NCYVCSMCNZCHHO-UHFFFAOYSA-N 2 2 328.445 3.154 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890585 267134499 /nfs/dbraw/zinc/13/44/99/267134499.db2.gz TVVFHMXRPZNRLW-GHMZBOCLSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890585 267134501 /nfs/dbraw/zinc/13/45/01/267134501.db2.gz TVVFHMXRPZNRLW-GHMZBOCLSA-N 2 2 342.256 3.118 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000274682865 267272341 /nfs/dbraw/zinc/27/23/41/267272341.db2.gz RVQJHUPIGYBSPN-QGZVFWFLSA-N 2 2 343.437 3.382 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000275268220 267339353 /nfs/dbraw/zinc/33/93/53/267339353.db2.gz BLVAQOBOLLDIJA-LLVKDONJSA-N 2 2 332.261 3.364 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000275268220 267339354 /nfs/dbraw/zinc/33/93/54/267339354.db2.gz BLVAQOBOLLDIJA-LLVKDONJSA-N 2 2 332.261 3.364 20 0 EGADLP Fc1ccc(Cn2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)cc1 ZINC000275486353 267369264 /nfs/dbraw/zinc/36/92/64/267369264.db2.gz KRALTRPGDKMXSP-UHFFFAOYSA-N 2 2 342.462 3.177 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278523153 268030784 /nfs/dbraw/zinc/03/07/84/268030784.db2.gz SPRQWSKHFHWWBA-WMZOPIPTSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278523153 268030786 /nfs/dbraw/zinc/03/07/86/268030786.db2.gz SPRQWSKHFHWWBA-WMZOPIPTSA-N 2 2 329.488 3.319 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCCc3c2cnn3C)[NH+](C)C)cc1 ZINC000133892711 273770324 /nfs/dbraw/zinc/77/03/24/273770324.db2.gz UYKYLLYHUGJHBI-AZUAARDMSA-N 2 2 326.488 3.252 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC(C)CC1 ZINC000373552456 274014698 /nfs/dbraw/zinc/01/46/98/274014698.db2.gz RKBOSIGPKSBFFS-OHWJTAOLSA-N 2 2 345.531 3.477 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC(C)CC1 ZINC000373552456 274014700 /nfs/dbraw/zinc/01/47/00/274014700.db2.gz RKBOSIGPKSBFFS-OHWJTAOLSA-N 2 2 345.531 3.477 20 0 EGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000367085938 274101381 /nfs/dbraw/zinc/10/13/81/274101381.db2.gz IHRMUIKHRNSEMO-WMLDXEAASA-N 2 2 329.419 3.494 20 0 EGADLP Cc1nc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000269389638 275236378 /nfs/dbraw/zinc/23/63/78/275236378.db2.gz CCPYANIVGKTUMK-INIZCTEOSA-N 2 2 344.528 3.314 20 0 EGADLP COc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000278815245 275277381 /nfs/dbraw/zinc/27/73/81/275277381.db2.gz SCSJXYVZZBWIMB-AGUYFDCRSA-N 2 2 339.277 3.173 20 0 EGADLP COc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000278815245 275277382 /nfs/dbraw/zinc/27/73/82/275277382.db2.gz SCSJXYVZZBWIMB-AGUYFDCRSA-N 2 2 339.277 3.173 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000279010631 275295728 /nfs/dbraw/zinc/29/57/28/275295728.db2.gz UVRKNSUTWJFFCU-UHFFFAOYSA-N 2 2 344.503 3.102 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000279644891 275346405 /nfs/dbraw/zinc/34/64/05/275346405.db2.gz DIKHFSOMNXZHKH-LBPRGKRZSA-N 2 2 326.282 3.368 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccnn2C(C)C)cc1F ZINC000279937585 275378462 /nfs/dbraw/zinc/37/84/62/275378462.db2.gz NOXGFUATPDURIH-UHFFFAOYSA-N 2 2 327.407 3.387 20 0 EGADLP COCCCOc1ccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000285415792 275873454 /nfs/dbraw/zinc/87/34/54/275873454.db2.gz DKAZFBFOJQFOMI-UHFFFAOYSA-N 2 2 339.439 3.348 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287191217 276094679 /nfs/dbraw/zinc/09/46/79/276094679.db2.gz DCQZTRLULUGLOU-XLNGHYISSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000287191217 276094680 /nfs/dbraw/zinc/09/46/80/276094680.db2.gz DCQZTRLULUGLOU-XLNGHYISSA-N 2 2 342.405 3.349 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000287499290 276125684 /nfs/dbraw/zinc/12/56/84/276125684.db2.gz LIOWGTSSQHALTH-UHFFFAOYSA-N 2 2 326.444 3.294 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@@H+]1C ZINC000287700757 276148645 /nfs/dbraw/zinc/14/86/45/276148645.db2.gz XDAWMSWODFVXDT-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@H+]1C ZINC000287700757 276148646 /nfs/dbraw/zinc/14/86/46/276148646.db2.gz XDAWMSWODFVXDT-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP CCc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000287730905 276151583 /nfs/dbraw/zinc/15/15/83/276151583.db2.gz YKZZWHYIHGFGIO-QGZVFWFLSA-N 2 2 344.421 3.289 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000288352486 276205209 /nfs/dbraw/zinc/20/52/09/276205209.db2.gz CGBUAQZCQKIEAA-IIBYNOLFSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000288352486 276205210 /nfs/dbraw/zinc/20/52/10/276205210.db2.gz CGBUAQZCQKIEAA-IIBYNOLFSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000288352478 276205238 /nfs/dbraw/zinc/20/52/38/276205238.db2.gz CGBUAQZCQKIEAA-HRAATJIYSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000288352478 276205239 /nfs/dbraw/zinc/20/52/39/276205239.db2.gz CGBUAQZCQKIEAA-HRAATJIYSA-N 2 2 337.467 3.398 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1O ZINC000288473140 276217806 /nfs/dbraw/zinc/21/78/06/276217806.db2.gz PDNJDTFNWYCKNZ-MAUKXSAKSA-N 2 2 326.440 3.153 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277551 276248244 /nfs/dbraw/zinc/24/82/44/276248244.db2.gz DSZGGNWTDJOVRB-PBHICJAKSA-N 2 2 344.421 3.403 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277551 276248246 /nfs/dbraw/zinc/24/82/46/276248246.db2.gz DSZGGNWTDJOVRB-PBHICJAKSA-N 2 2 344.421 3.403 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277551 276248248 /nfs/dbraw/zinc/24/82/48/276248248.db2.gz DSZGGNWTDJOVRB-PBHICJAKSA-N 2 2 344.421 3.403 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277551 276248250 /nfs/dbraw/zinc/24/82/50/276248250.db2.gz DSZGGNWTDJOVRB-PBHICJAKSA-N 2 2 344.421 3.403 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000343256734 276253215 /nfs/dbraw/zinc/25/32/15/276253215.db2.gz PXAYVWRVNNNWGM-RXVVDRJESA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000343256734 276253216 /nfs/dbraw/zinc/25/32/16/276253216.db2.gz PXAYVWRVNNNWGM-RXVVDRJESA-N 3 2 329.532 3.348 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]([NH+](CC)CC)C1 ZINC000361238595 276302461 /nfs/dbraw/zinc/30/24/61/276302461.db2.gz UZNYVJANZZWFLD-HNNXBMFYSA-N 2 2 341.455 3.332 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3COCC[C@@H]32)[nH+]1 ZINC000289256545 276311993 /nfs/dbraw/zinc/31/19/93/276311993.db2.gz FKYRBWJLVLMWNF-UFYCRDLUSA-N 2 2 333.435 3.339 20 0 EGADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3COCC[C@@H]32)[nH+]1 ZINC000289256545 276311995 /nfs/dbraw/zinc/31/19/95/276311995.db2.gz FKYRBWJLVLMWNF-UFYCRDLUSA-N 2 2 333.435 3.339 20 0 EGADLP COc1cccc([C@@H](C[NH2+]CCCc2c[nH+]ccc2C)N(C)C)c1 ZINC000289327878 276322447 /nfs/dbraw/zinc/32/24/47/276322447.db2.gz UMKZPGUDFTYZEI-HXUWFJFHSA-N 2 2 327.472 3.224 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000289330346 276322904 /nfs/dbraw/zinc/32/29/04/276322904.db2.gz UVSBIHZQPHUQHP-UHFFFAOYSA-N 3 2 327.472 3.053 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(N2CCCC2)nc1 ZINC000289673515 276376149 /nfs/dbraw/zinc/37/61/49/276376149.db2.gz DODGWNHZDGEACN-UHFFFAOYSA-N 2 2 342.487 3.229 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(N2CCCC2)nc1 ZINC000289673515 276376150 /nfs/dbraw/zinc/37/61/50/276376150.db2.gz DODGWNHZDGEACN-UHFFFAOYSA-N 2 2 342.487 3.229 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccc(N2CCCC2)nc1)Cc1ccco1 ZINC000289673515 276376151 /nfs/dbraw/zinc/37/61/51/276376151.db2.gz DODGWNHZDGEACN-UHFFFAOYSA-N 2 2 342.487 3.229 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccc(N2CCCC2)nc1)Cc1ccco1 ZINC000289673515 276376152 /nfs/dbraw/zinc/37/61/52/276376152.db2.gz DODGWNHZDGEACN-UHFFFAOYSA-N 2 2 342.487 3.229 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)n1-c1ccccc1 ZINC000289934805 276421692 /nfs/dbraw/zinc/42/16/92/276421692.db2.gz TZWIGMGROGVIBK-FGZHOGPDSA-N 2 2 347.462 3.437 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000363652546 278044302 /nfs/dbraw/zinc/04/43/02/278044302.db2.gz QJLPVVDJUVJSLZ-OXQOHEQNSA-N 2 2 343.515 3.285 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000363652546 278044303 /nfs/dbraw/zinc/04/43/03/278044303.db2.gz QJLPVVDJUVJSLZ-OXQOHEQNSA-N 2 2 343.515 3.285 20 0 EGADLP CC(C)C[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000187743902 278869957 /nfs/dbraw/zinc/86/99/57/278869957.db2.gz IIVUAJDPKAMNBD-SFHVURJKSA-N 2 2 330.451 3.348 20 0 EGADLP Cc1ccc2[nH+]ccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c2c1 ZINC000354575361 281169795 /nfs/dbraw/zinc/16/97/95/281169795.db2.gz MBYVDKXUVAEHRU-QGZVFWFLSA-N 3 2 338.499 3.148 20 0 EGADLP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c2c1 ZINC000354575361 281169797 /nfs/dbraw/zinc/16/97/97/281169797.db2.gz MBYVDKXUVAEHRU-QGZVFWFLSA-N 3 2 338.499 3.148 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248186198 281209932 /nfs/dbraw/zinc/20/99/32/281209932.db2.gz XJMSHHVCZXWZPM-BZSNNMDCSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248186198 281209933 /nfs/dbraw/zinc/20/99/33/281209933.db2.gz XJMSHHVCZXWZPM-BZSNNMDCSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248186198 281209934 /nfs/dbraw/zinc/20/99/34/281209934.db2.gz XJMSHHVCZXWZPM-BZSNNMDCSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248186198 281209936 /nfs/dbraw/zinc/20/99/36/281209936.db2.gz XJMSHHVCZXWZPM-BZSNNMDCSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375316810 289733955 /nfs/dbraw/zinc/73/39/55/289733955.db2.gz FBIFODOACJDLQQ-KGLIPLIRSA-N 2 2 336.480 3.001 20 0 EGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369356961 290228310 /nfs/dbraw/zinc/22/83/10/290228310.db2.gz DCZMUMKOACMDOS-ZBFHGGJFSA-N 2 2 339.886 3.252 20 0 EGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356961 290228312 /nfs/dbraw/zinc/22/83/12/290228312.db2.gz DCZMUMKOACMDOS-ZBFHGGJFSA-N 2 2 339.886 3.252 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247926309 290385709 /nfs/dbraw/zinc/38/57/09/290385709.db2.gz ZUPIKQXBTLNXGE-IRXDYDNUSA-N 2 2 347.507 3.301 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247926309 290385710 /nfs/dbraw/zinc/38/57/10/290385710.db2.gz ZUPIKQXBTLNXGE-IRXDYDNUSA-N 2 2 347.507 3.301 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157362131 298186145 /nfs/dbraw/zinc/18/61/45/298186145.db2.gz JPVCAQJDAPZOAS-YRXWBPOGSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157362131 298186149 /nfs/dbraw/zinc/18/61/49/298186149.db2.gz JPVCAQJDAPZOAS-YRXWBPOGSA-N 2 2 335.536 3.020 20 0 EGADLP C[NH+](C)CCCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000090067554 307457578 /nfs/dbraw/zinc/45/75/78/307457578.db2.gz XPZMHMJELAROET-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414089190 309060390 /nfs/dbraw/zinc/06/03/90/309060390.db2.gz CKCJTWBLXRAOKL-DLBZAZTESA-N 2 2 326.488 3.391 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414089190 309060391 /nfs/dbraw/zinc/06/03/91/309060391.db2.gz CKCJTWBLXRAOKL-DLBZAZTESA-N 2 2 326.488 3.391 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414115995 309061813 /nfs/dbraw/zinc/06/18/13/309061813.db2.gz VSHHVZYHKDGUPP-AOIWGVFYSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414115995 309061814 /nfs/dbraw/zinc/06/18/14/309061814.db2.gz VSHHVZYHKDGUPP-AOIWGVFYSA-N 2 2 338.499 3.391 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000158901270 307865504 /nfs/dbraw/zinc/86/55/04/307865504.db2.gz ZVAYKKVGFLWVIY-GDBMZVCRSA-N 2 2 340.895 3.092 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C1 ZINC000414317042 309072494 /nfs/dbraw/zinc/07/24/94/309072494.db2.gz VHFQWBBYKUHLRO-LKUPVBHCSA-N 2 2 342.458 3.327 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C1 ZINC000414317042 309072495 /nfs/dbraw/zinc/07/24/95/309072495.db2.gz VHFQWBBYKUHLRO-LKUPVBHCSA-N 2 2 342.458 3.327 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000414345540 309074352 /nfs/dbraw/zinc/07/43/52/309074352.db2.gz LLRAFNZNSZZXET-CPUCHLNUSA-N 2 2 329.463 3.463 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000414345540 309074353 /nfs/dbraw/zinc/07/43/53/309074353.db2.gz LLRAFNZNSZZXET-CPUCHLNUSA-N 2 2 329.463 3.463 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248622070 308007776 /nfs/dbraw/zinc/00/77/76/308007776.db2.gz NMHPZQHLOYOFGZ-DBVUQKKJSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248622070 308007777 /nfs/dbraw/zinc/00/77/77/308007777.db2.gz NMHPZQHLOYOFGZ-DBVUQKKJSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248622070 308007778 /nfs/dbraw/zinc/00/77/78/308007778.db2.gz NMHPZQHLOYOFGZ-DBVUQKKJSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248622070 308007779 /nfs/dbraw/zinc/00/77/79/308007779.db2.gz NMHPZQHLOYOFGZ-DBVUQKKJSA-N 2 2 342.483 3.158 20 0 EGADLP CCc1ncc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000414393070 309077473 /nfs/dbraw/zinc/07/74/73/309077473.db2.gz CWHDQTBMXHUNQS-QGZVFWFLSA-N 2 2 335.455 3.362 20 0 EGADLP CCc1ncc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000414393070 309077474 /nfs/dbraw/zinc/07/74/74/309077474.db2.gz CWHDQTBMXHUNQS-QGZVFWFLSA-N 2 2 335.455 3.362 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897047 308077450 /nfs/dbraw/zinc/07/74/50/308077450.db2.gz GFZAONNFTQNZHV-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897047 308077452 /nfs/dbraw/zinc/07/74/52/308077452.db2.gz GFZAONNFTQNZHV-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897047 308077453 /nfs/dbraw/zinc/07/74/53/308077453.db2.gz GFZAONNFTQNZHV-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897047 308077455 /nfs/dbraw/zinc/07/74/55/308077455.db2.gz GFZAONNFTQNZHV-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP COc1cc[nH+]cc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000293278617 308116480 /nfs/dbraw/zinc/11/64/80/308116480.db2.gz GVKRPRNOGOEVJX-UHFFFAOYSA-N 2 2 339.439 3.006 20 0 EGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000293849881 308167533 /nfs/dbraw/zinc/16/75/33/308167533.db2.gz UBBLWJUSIQWJSG-SFHVURJKSA-N 2 2 337.423 3.404 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295143348 308296423 /nfs/dbraw/zinc/29/64/23/308296423.db2.gz QFCXJHFTABMEGO-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295143348 308296425 /nfs/dbraw/zinc/29/64/25/308296425.db2.gz QFCXJHFTABMEGO-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958864 308378940 /nfs/dbraw/zinc/37/89/40/308378940.db2.gz HRWKLPGOPUBZOS-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958864 308378942 /nfs/dbraw/zinc/37/89/42/308378942.db2.gz HRWKLPGOPUBZOS-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(F)c1Br ZINC000295958864 308378943 /nfs/dbraw/zinc/37/89/43/308378943.db2.gz HRWKLPGOPUBZOS-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(F)c1Br ZINC000295958864 308378945 /nfs/dbraw/zinc/37/89/45/308378945.db2.gz HRWKLPGOPUBZOS-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012295 308384324 /nfs/dbraw/zinc/38/43/24/308384324.db2.gz OWVPXEPQTQROFB-KRWDZBQOSA-N 2 2 343.471 3.493 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012295 308384325 /nfs/dbraw/zinc/38/43/25/308384325.db2.gz OWVPXEPQTQROFB-KRWDZBQOSA-N 2 2 343.471 3.493 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414803057 309102371 /nfs/dbraw/zinc/10/23/71/309102371.db2.gz JACUZIMMWMRZFK-MRXNPFEDSA-N 2 2 347.503 3.314 20 0 EGADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414822165 309103808 /nfs/dbraw/zinc/10/38/08/309103808.db2.gz DGNGKVZWRIMDFE-MRXNPFEDSA-N 2 2 338.480 3.442 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414823704 309103970 /nfs/dbraw/zinc/10/39/70/309103970.db2.gz IVBHRUTXPGTFQY-UHFFFAOYSA-N 2 2 331.847 3.291 20 0 EGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000414837527 309104627 /nfs/dbraw/zinc/10/46/27/309104627.db2.gz XUTAZJCVDSNJCQ-UHFFFAOYSA-N 2 2 325.275 3.487 20 0 EGADLP CC1CCC([NH+]2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)CC1 ZINC000301288237 308695052 /nfs/dbraw/zinc/69/50/52/308695052.db2.gz MLSWNFJWDUTGOX-UHFFFAOYSA-N 2 2 343.519 3.168 20 0 EGADLP Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c2ccccc2[nH+]1 ZINC000301590575 308706416 /nfs/dbraw/zinc/70/64/16/308706416.db2.gz QKCZNFBWVNDDKN-CQSZACIVSA-N 2 2 326.469 3.157 20 0 EGADLP Cc1ccc([C@@H](CNc2cc(NCC3CC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000301816304 308716589 /nfs/dbraw/zinc/71/65/89/308716589.db2.gz HAFMFEMHQOLVBG-MRXNPFEDSA-N 2 2 341.459 3.449 20 0 EGADLP C[NH+](C)CC1(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CCCC1 ZINC000302167442 308731701 /nfs/dbraw/zinc/73/17/01/308731701.db2.gz RZJDRXHIXLHXPR-UHFFFAOYSA-N 2 2 330.480 3.115 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc(OC)c1O ZINC000414840663 309105059 /nfs/dbraw/zinc/10/50/59/309105059.db2.gz XJKLFDPQZLUTCK-QGZVFWFLSA-N 2 2 344.455 3.322 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1OCc1ccc(F)cc1 ZINC000414847392 309105302 /nfs/dbraw/zinc/10/53/02/309105302.db2.gz OOQWCGPKDDFJDB-SFHVURJKSA-N 2 2 344.430 3.255 20 0 EGADLP Cc1nn2c(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)c(C)nc2s1 ZINC000414852812 309105721 /nfs/dbraw/zinc/10/57/21/309105721.db2.gz WKWQYVNFROLJAS-MRXNPFEDSA-N 2 2 343.500 3.321 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866440 309106255 /nfs/dbraw/zinc/10/62/55/309106255.db2.gz MWPDKKXCSCEDDL-QGZVFWFLSA-N 2 2 332.879 3.043 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OC)c(F)c2)cc1 ZINC000414884907 309107078 /nfs/dbraw/zinc/10/70/78/309107078.db2.gz OIGGOUTZFUCWBL-IEBWSBKVSA-N 2 2 344.430 3.078 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000414892638 309107697 /nfs/dbraw/zinc/10/76/97/309107697.db2.gz XDBDRKHYHIVEBC-APWZRJJASA-N 2 2 332.394 3.209 20 0 EGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414934106 309109996 /nfs/dbraw/zinc/10/99/96/309109996.db2.gz UYSPRDWGGZHIRK-RBUKOAKNSA-N 2 2 332.488 3.112 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2)cs1 ZINC000414937974 309110164 /nfs/dbraw/zinc/11/01/64/309110164.db2.gz VTSYVPBYOILKRF-SCLBCKFNSA-N 2 2 331.485 3.118 20 0 EGADLP C[C@@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414940643 309110412 /nfs/dbraw/zinc/11/04/12/309110412.db2.gz HPBBYUYVGIJUAH-AWEZNQCLSA-N 2 2 326.469 3.097 20 0 EGADLP COc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414946457 309110745 /nfs/dbraw/zinc/11/07/45/309110745.db2.gz JOSQWOCRLDBZSQ-WFASDCNBSA-N 2 2 338.423 3.270 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414951514 309110893 /nfs/dbraw/zinc/11/08/93/309110893.db2.gz JDKFRANBURPRBH-IUODEOHRSA-N 2 2 338.377 3.121 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415040569 309116062 /nfs/dbraw/zinc/11/60/62/309116062.db2.gz KFJHXVGIZYGBFV-CJNGLKHVSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415040569 309116063 /nfs/dbraw/zinc/11/60/63/309116063.db2.gz KFJHXVGIZYGBFV-CJNGLKHVSA-N 2 2 332.879 3.191 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000415043052 309116246 /nfs/dbraw/zinc/11/62/46/309116246.db2.gz AAHZOJSIISPONN-INIZCTEOSA-N 2 2 326.469 3.490 20 0 EGADLP c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415055643 309116899 /nfs/dbraw/zinc/11/68/99/309116899.db2.gz RHVFFHYYBVDFGA-ZWKOTPCHSA-N 2 2 336.464 3.050 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000415063456 309117818 /nfs/dbraw/zinc/11/78/18/309117818.db2.gz ICWPWNNFXHWMDC-LJQANCHMSA-N 2 2 345.531 3.266 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065202 309118011 /nfs/dbraw/zinc/11/80/11/309118011.db2.gz MIBYLPMHNXWCOO-AWEZNQCLSA-N 2 2 340.393 3.199 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000415067854 309118157 /nfs/dbraw/zinc/11/81/57/309118157.db2.gz QCDGTXWSDUIXSF-QGZVFWFLSA-N 2 2 344.455 3.064 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000415072365 309118271 /nfs/dbraw/zinc/11/82/71/309118271.db2.gz XYEVJAUKTGBMSG-SFHVURJKSA-N 2 2 344.455 3.064 20 0 EGADLP CC(C)(C)[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000415088441 309119537 /nfs/dbraw/zinc/11/95/37/309119537.db2.gz XLXPDRNMYZMTBG-UHFFFAOYSA-N 2 2 349.482 3.412 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[NH2+]CC2)c1 ZINC000415298598 309130448 /nfs/dbraw/zinc/13/04/48/309130448.db2.gz XJIKWKPWDWLTEP-UHFFFAOYSA-N 2 2 341.459 3.177 20 0 EGADLP Cc1cc(NC(=O)NCCC[NH2+]C2CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000415465596 309134224 /nfs/dbraw/zinc/13/42/24/309134224.db2.gz SFAZITWCRUJPIR-OAHLLOKOSA-N 2 2 345.491 3.032 20 0 EGADLP CC[N@H+](CCCNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000415933538 309149755 /nfs/dbraw/zinc/14/97/55/309149755.db2.gz PXBACLGXPGXSIK-UHFFFAOYSA-N 2 2 340.471 3.444 20 0 EGADLP CC[N@@H+](CCCNC(=O)Nc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000415933538 309149756 /nfs/dbraw/zinc/14/97/56/309149756.db2.gz PXBACLGXPGXSIK-UHFFFAOYSA-N 2 2 340.471 3.444 20 0 EGADLP CO[C@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CC(C)C ZINC000418090015 309235131 /nfs/dbraw/zinc/23/51/31/309235131.db2.gz CAZZBORRWSGYRW-AWEZNQCLSA-N 2 2 325.522 3.060 20 0 EGADLP CO[C@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CC(C)C ZINC000418090015 309235132 /nfs/dbraw/zinc/23/51/32/309235132.db2.gz CAZZBORRWSGYRW-AWEZNQCLSA-N 2 2 325.522 3.060 20 0 EGADLP Cc1cc(NCc2c[nH+]c(N(C)C)n2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000419690269 309271115 /nfs/dbraw/zinc/27/11/15/309271115.db2.gz KGYPHDMJUBYSKY-HNNXBMFYSA-N 2 2 342.491 3.180 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C2(Cc3ccc(Cl)cc3)CCC2)n1C ZINC000419745106 309271372 /nfs/dbraw/zinc/27/13/72/309271372.db2.gz JUHMPNGRHCPQJE-UHFFFAOYSA-N 2 2 332.879 3.395 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)n1C ZINC000419746209 309271382 /nfs/dbraw/zinc/27/13/82/309271382.db2.gz LGOWERAKIKFPMT-HNNXBMFYSA-N 2 2 340.393 3.312 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)n1C ZINC000419783086 309272031 /nfs/dbraw/zinc/27/20/31/309272031.db2.gz QMEJVHFJCAHRHU-UHFFFAOYSA-N 2 2 332.879 3.252 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC000420285135 309279328 /nfs/dbraw/zinc/27/93/28/309279328.db2.gz DVEKEJBBYSNRIE-GOSISDBHSA-N 2 2 332.488 3.066 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC000420285135 309279329 /nfs/dbraw/zinc/27/93/29/309279329.db2.gz DVEKEJBBYSNRIE-GOSISDBHSA-N 2 2 332.488 3.066 20 0 EGADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)n2)cc1 ZINC000420298620 309280074 /nfs/dbraw/zinc/28/00/74/309280074.db2.gz FIXLNHRWQWVZCL-SFHVURJKSA-N 2 2 346.500 3.020 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000420305697 309280606 /nfs/dbraw/zinc/28/06/06/309280606.db2.gz PXKNWTJPTMQJKL-CQSZACIVSA-N 2 2 332.394 3.074 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000420305697 309280607 /nfs/dbraw/zinc/28/06/07/309280607.db2.gz PXKNWTJPTMQJKL-CQSZACIVSA-N 2 2 332.394 3.074 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316252 309281624 /nfs/dbraw/zinc/28/16/24/309281624.db2.gz NANPLKBRSOJOHU-CRAIPNDOSA-N 2 2 342.874 3.289 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316252 309281625 /nfs/dbraw/zinc/28/16/25/309281625.db2.gz NANPLKBRSOJOHU-CRAIPNDOSA-N 2 2 342.874 3.289 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1Br ZINC000420318586 309281882 /nfs/dbraw/zinc/28/18/82/309281882.db2.gz QKXNLUAPHAPBFT-ZDUSSCGKSA-N 2 2 327.266 3.031 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1Br ZINC000420318586 309281883 /nfs/dbraw/zinc/28/18/83/309281883.db2.gz QKXNLUAPHAPBFT-ZDUSSCGKSA-N 2 2 327.266 3.031 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1 ZINC000420358072 309283957 /nfs/dbraw/zinc/28/39/57/309283957.db2.gz JAXQHFDMMOCXDR-SUMWQHHRSA-N 2 2 337.895 3.014 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1Cl ZINC000420366441 309284656 /nfs/dbraw/zinc/28/46/56/309284656.db2.gz UOTFJVWQPAKIBT-SUMWQHHRSA-N 2 2 337.895 3.014 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000420376275 309285065 /nfs/dbraw/zinc/28/50/65/309285065.db2.gz UXNNJAPSLJHVKQ-OZTPJHRESA-N 2 2 343.393 3.009 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383690 309285459 /nfs/dbraw/zinc/28/54/59/309285459.db2.gz ZVQVKUSKACNOGI-ZFWWWQNUSA-N 2 2 344.459 3.245 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383690 309285460 /nfs/dbraw/zinc/28/54/60/309285460.db2.gz ZVQVKUSKACNOGI-ZFWWWQNUSA-N 2 2 344.459 3.245 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420382831 309285489 /nfs/dbraw/zinc/28/54/89/309285489.db2.gz DHMUURMBQRMDKZ-QFBILLFUSA-N 2 2 343.515 3.387 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420382831 309285490 /nfs/dbraw/zinc/28/54/90/309285490.db2.gz DHMUURMBQRMDKZ-QFBILLFUSA-N 2 2 343.515 3.387 20 0 EGADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc(N)c1)CC2 ZINC000420382179 309285613 /nfs/dbraw/zinc/28/56/13/309285613.db2.gz YQBYOGXSXHEZMO-KRWDZBQOSA-N 2 2 342.512 3.212 20 0 EGADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc(N)c1)CC2 ZINC000420382179 309285614 /nfs/dbraw/zinc/28/56/14/309285614.db2.gz YQBYOGXSXHEZMO-KRWDZBQOSA-N 2 2 342.512 3.212 20 0 EGADLP C[C@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420422787 309287160 /nfs/dbraw/zinc/28/71/60/309287160.db2.gz ZRJRCNQSWHAECU-RDJZCZTQSA-N 2 2 329.513 3.345 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420422787 309287161 /nfs/dbraw/zinc/28/71/61/309287161.db2.gz ZRJRCNQSWHAECU-RDJZCZTQSA-N 2 2 329.513 3.345 20 0 EGADLP c1coc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420912296 309300617 /nfs/dbraw/zinc/30/06/17/309300617.db2.gz HFYMCOFXXDARMV-IBGZPJMESA-N 2 2 326.440 3.449 20 0 EGADLP c1coc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420912296 309300618 /nfs/dbraw/zinc/30/06/18/309300618.db2.gz HFYMCOFXXDARMV-IBGZPJMESA-N 2 2 326.440 3.449 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421367338 309320908 /nfs/dbraw/zinc/32/09/08/309320908.db2.gz SNIBIBBEMQCSGC-CABCVRRESA-N 2 2 326.916 3.372 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCc3cccnc3CC2)[nH+]1 ZINC000421820148 309341466 /nfs/dbraw/zinc/34/14/66/309341466.db2.gz KXLAEUBCTISRCE-HXUWFJFHSA-N 2 2 346.478 3.406 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421843702 309342977 /nfs/dbraw/zinc/34/29/77/309342977.db2.gz RHHDIVMRHAQIOY-AGHHOFFYSA-N 2 2 335.495 3.439 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421843702 309342978 /nfs/dbraw/zinc/34/29/78/309342978.db2.gz RHHDIVMRHAQIOY-AGHHOFFYSA-N 2 2 335.495 3.439 20 0 EGADLP CCC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422029037 309351854 /nfs/dbraw/zinc/35/18/54/309351854.db2.gz ZBDSOJRTLKMBLF-IBGZPJMESA-N 2 2 337.552 3.077 20 0 EGADLP CCC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422029037 309351855 /nfs/dbraw/zinc/35/18/55/309351855.db2.gz ZBDSOJRTLKMBLF-IBGZPJMESA-N 2 2 337.552 3.077 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422217071 309358106 /nfs/dbraw/zinc/35/81/06/309358106.db2.gz VVLSRVOUZYAUFA-UHFFFAOYSA-N 2 2 332.492 3.106 20 0 EGADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000422697698 309363637 /nfs/dbraw/zinc/36/36/37/309363637.db2.gz VSTCPIFHISDIMD-HNNXBMFYSA-N 2 2 341.455 3.360 20 0 EGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422719868 309364989 /nfs/dbraw/zinc/36/49/89/309364989.db2.gz YQJVOXBIUJDBNR-ROUUACIJSA-N 2 2 327.403 3.047 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422726403 309365350 /nfs/dbraw/zinc/36/53/50/309365350.db2.gz ZTEKRNLRDHBYIR-UXHICEINSA-N 2 2 325.456 3.281 20 0 EGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000422737801 309366078 /nfs/dbraw/zinc/36/60/78/309366078.db2.gz ILVDCVDPIXLUIG-UDZFHETQSA-N 2 2 327.291 3.184 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422826114 309370536 /nfs/dbraw/zinc/37/05/36/309370536.db2.gz KVTQSPMSKBWKBZ-PWRODBHTSA-N 3 2 338.499 3.332 20 0 EGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422834240 309370892 /nfs/dbraw/zinc/37/08/92/309370892.db2.gz NNUMDUTZBMYELO-RBUKOAKNSA-N 2 2 326.488 3.266 20 0 EGADLP [NH3+][C@H]1CCCCC[C@H]1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000422834240 309370893 /nfs/dbraw/zinc/37/08/93/309370893.db2.gz NNUMDUTZBMYELO-RBUKOAKNSA-N 2 2 326.488 3.266 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838543 309371129 /nfs/dbraw/zinc/37/11/29/309371129.db2.gz OSHPXQSIDIUBKS-CTNGQTDRSA-N 3 2 327.516 3.476 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422839263 309371355 /nfs/dbraw/zinc/37/13/55/309371355.db2.gz ZODVLLIOGPQYGX-PXNSSMCTSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422839263 309371356 /nfs/dbraw/zinc/37/13/56/309371356.db2.gz ZODVLLIOGPQYGX-PXNSSMCTSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(N2CCOCC2)c1 ZINC000422865416 309372779 /nfs/dbraw/zinc/37/27/79/309372779.db2.gz OSCOQPVKDRJJRD-VQTJNVASSA-N 2 2 337.467 3.066 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C1C[NH2+]C1 ZINC000422873948 309373294 /nfs/dbraw/zinc/37/32/94/309373294.db2.gz MQWRVMCJOATOOE-SSDOTTSWSA-N 2 2 325.186 3.292 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422877127 309373445 /nfs/dbraw/zinc/37/34/45/309373445.db2.gz RBFCTTRTIPXARL-YTQUADARSA-N 2 2 332.488 3.173 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000422903912 309375454 /nfs/dbraw/zinc/37/54/54/309375454.db2.gz PLIDGNQSHMBQRH-BEFAXECRSA-N 3 2 338.430 3.060 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422909061 309375639 /nfs/dbraw/zinc/37/56/39/309375639.db2.gz ZRAFQOFESCACDZ-NFAWXSAZSA-N 2 2 346.393 3.045 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000422910522 309375721 /nfs/dbraw/zinc/37/57/21/309375721.db2.gz QXRJPZSDOWNHMD-HOTGVXAUSA-N 3 2 326.488 3.020 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422910522 309375722 /nfs/dbraw/zinc/37/57/22/309375722.db2.gz QXRJPZSDOWNHMD-HOTGVXAUSA-N 3 2 326.488 3.020 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423049566 309383094 /nfs/dbraw/zinc/38/30/94/309383094.db2.gz KFJAGFXTIDDOMB-FUHWJXTLSA-N 2 2 342.483 3.484 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085465 309385108 /nfs/dbraw/zinc/38/51/08/309385108.db2.gz KQKGCZYBHUOKOK-MAODMQOUSA-N 2 2 349.478 3.000 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)c2ccccc21 ZINC000423102643 309386197 /nfs/dbraw/zinc/38/61/97/309386197.db2.gz OJJRLONALSYDRO-LSDHHAIUSA-N 2 2 337.345 3.257 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423161712 309388810 /nfs/dbraw/zinc/38/88/10/309388810.db2.gz ODMHADMNLGXNPM-DNVCBOLYSA-N 2 2 338.430 3.060 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177611 309389331 /nfs/dbraw/zinc/38/93/31/309389331.db2.gz AYLSVSJYDNCWBY-YGRLFVJLSA-N 2 2 329.669 3.431 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000423203833 309390286 /nfs/dbraw/zinc/39/02/86/309390286.db2.gz AEFZIHQHZBWEHW-WCBMZHEXSA-N 2 2 337.183 3.480 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423211842 309390743 /nfs/dbraw/zinc/39/07/43/309390743.db2.gz HKPIPHJQKPPLBB-IPYPFGDCSA-N 2 2 347.894 3.268 20 0 EGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423264992 309393015 /nfs/dbraw/zinc/39/30/15/309393015.db2.gz QLBJMWBVNYEKFA-UZLBHIALSA-N 2 2 326.488 3.490 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccccc1I ZINC000423282903 309393888 /nfs/dbraw/zinc/39/38/88/309393888.db2.gz DIXAQPXLIDPRTP-NSHDSACASA-N 2 2 346.256 3.459 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284083 309394021 /nfs/dbraw/zinc/39/40/21/309394021.db2.gz XPVKZYHOBSPNPJ-UWHLTILDSA-N 3 2 329.532 3.250 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284083 309394022 /nfs/dbraw/zinc/39/40/22/309394022.db2.gz XPVKZYHOBSPNPJ-UWHLTILDSA-N 3 2 329.532 3.250 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H](C)[NH3+] ZINC000423298038 309394414 /nfs/dbraw/zinc/39/44/14/309394414.db2.gz MWHRPRDKOOTOPA-FZKQIMNGSA-N 2 2 328.460 3.321 20 0 EGADLP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000423327859 309395398 /nfs/dbraw/zinc/39/53/98/309395398.db2.gz KLPBNCRPKMTPPK-HNNXBMFYSA-N 2 2 338.455 3.022 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc(CO)c1 ZINC000423357426 309396698 /nfs/dbraw/zinc/39/66/98/309396698.db2.gz AKQVLZXIBAQUPL-WSXQUGQNSA-N 2 2 346.421 3.253 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423358836 309396746 /nfs/dbraw/zinc/39/67/46/309396746.db2.gz NZVYLGNOGXBRSP-DJIMGWMZSA-N 2 2 336.451 3.176 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000423394877 309398396 /nfs/dbraw/zinc/39/83/96/309398396.db2.gz SHLSKSXBIDRHFT-CXAGYDPISA-N 2 2 347.894 3.350 20 0 EGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)cs2)cs1 ZINC000423521470 309404559 /nfs/dbraw/zinc/40/45/59/309404559.db2.gz QTAVIQDLMKXLLA-BXUZGUMPSA-N 2 2 337.514 3.209 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000431350104 309630668 /nfs/dbraw/zinc/63/06/68/309630668.db2.gz NMRDWRVOLWPYJD-QFBILLFUSA-N 2 2 332.488 3.070 20 0 EGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000435537799 309734559 /nfs/dbraw/zinc/73/45/59/309734559.db2.gz QZGKJVQMTJCOFC-JJYIYXIDSA-N 2 2 329.419 3.302 20 0 EGADLP Cn1c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)[nH+]c2cccc(F)c21 ZINC000443507979 309902183 /nfs/dbraw/zinc/90/21/83/309902183.db2.gz CXJAJHIJCUKNHT-UHFFFAOYSA-N 2 2 339.349 3.071 20 0 EGADLP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024139 310030446 /nfs/dbraw/zinc/03/04/46/310030446.db2.gz YJGDUHVCCVBYKV-CVEARBPZSA-N 2 2 338.442 3.113 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024139 310030447 /nfs/dbraw/zinc/03/04/47/310030447.db2.gz YJGDUHVCCVBYKV-CVEARBPZSA-N 2 2 338.442 3.113 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449109359 310037644 /nfs/dbraw/zinc/03/76/44/310037644.db2.gz YKLFOPWFAVSBTQ-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449109359 310037645 /nfs/dbraw/zinc/03/76/45/310037645.db2.gz YKLFOPWFAVSBTQ-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449112273 310038029 /nfs/dbraw/zinc/03/80/29/310038029.db2.gz QFFSMBPGWIOOGN-ROUUACIJSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449112273 310038030 /nfs/dbraw/zinc/03/80/30/310038030.db2.gz QFFSMBPGWIOOGN-ROUUACIJSA-N 2 2 335.536 3.022 20 0 EGADLP COCC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000449146055 310040167 /nfs/dbraw/zinc/04/01/67/310040167.db2.gz ZSXUHNUJNULJSF-CKVGWXAMSA-N 2 2 331.504 3.087 20 0 EGADLP COCC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000449146055 310040168 /nfs/dbraw/zinc/04/01/68/310040168.db2.gz ZSXUHNUJNULJSF-CKVGWXAMSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CSC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000449153904 310040800 /nfs/dbraw/zinc/04/08/00/310040800.db2.gz GGJWVGJULMUDDG-BQFCYCMXSA-N 2 2 334.529 3.228 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339444 310054874 /nfs/dbraw/zinc/05/48/74/310054874.db2.gz KKIHLFFESOCITN-HXUWFJFHSA-N 2 2 341.524 3.456 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339444 310054875 /nfs/dbraw/zinc/05/48/75/310054875.db2.gz KKIHLFFESOCITN-HXUWFJFHSA-N 2 2 341.524 3.456 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339444 310054876 /nfs/dbraw/zinc/05/48/76/310054876.db2.gz KKIHLFFESOCITN-HXUWFJFHSA-N 2 2 341.524 3.456 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339444 310054877 /nfs/dbraw/zinc/05/48/77/310054877.db2.gz KKIHLFFESOCITN-HXUWFJFHSA-N 2 2 341.524 3.456 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000449356199 310056232 /nfs/dbraw/zinc/05/62/32/310056232.db2.gz AXBLCQZXPXPJJO-RHSMWYFYSA-N 2 2 326.444 3.144 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000449359560 310056552 /nfs/dbraw/zinc/05/65/52/310056552.db2.gz GOPCDCYGYQUERQ-CQSZACIVSA-N 2 2 326.444 3.429 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387538 310057918 /nfs/dbraw/zinc/05/79/18/310057918.db2.gz LUZQQBXJSQJZPL-UONOGXRCSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387538 310057919 /nfs/dbraw/zinc/05/79/19/310057919.db2.gz LUZQQBXJSQJZPL-UONOGXRCSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000449470919 310064849 /nfs/dbraw/zinc/06/48/49/310064849.db2.gz BOUNNXCHNOACSA-GOSISDBHSA-N 2 2 326.488 3.306 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000449470919 310064850 /nfs/dbraw/zinc/06/48/50/310064850.db2.gz BOUNNXCHNOACSA-GOSISDBHSA-N 2 2 326.488 3.306 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C(=O)N3c4ccccc4C[C@H]3C)n2c1 ZINC000449645678 310077161 /nfs/dbraw/zinc/07/71/61/310077161.db2.gz KZPQALXXFWIMNL-HZPDHXFCSA-N 2 2 348.450 3.099 20 0 EGADLP COc1cccnc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449747324 310084190 /nfs/dbraw/zinc/08/41/90/310084190.db2.gz IVDBNDQDNLMJKZ-WMZOPIPTSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449747324 310084191 /nfs/dbraw/zinc/08/41/91/310084191.db2.gz IVDBNDQDNLMJKZ-WMZOPIPTSA-N 2 2 325.456 3.090 20 0 EGADLP C[N@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786439 310087118 /nfs/dbraw/zinc/08/71/18/310087118.db2.gz NVTRIXQZJRFHSR-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786439 310087119 /nfs/dbraw/zinc/08/71/19/310087119.db2.gz NVTRIXQZJRFHSR-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP C[N@H+](Cc1ccc(CO)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119157 310213152 /nfs/dbraw/zinc/21/31/52/310213152.db2.gz PYYHFORZQSCOIB-UHFFFAOYSA-N 2 2 330.394 3.028 20 0 EGADLP C[N@@H+](Cc1ccc(CO)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119157 310213153 /nfs/dbraw/zinc/21/31/53/310213153.db2.gz PYYHFORZQSCOIB-UHFFFAOYSA-N 2 2 330.394 3.028 20 0 EGADLP CC[N@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000453083544 310256818 /nfs/dbraw/zinc/25/68/18/310256818.db2.gz DJZMWNPQKWFLAZ-QGZVFWFLSA-N 2 2 334.895 3.483 20 0 EGADLP CC[N@@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000453083544 310256819 /nfs/dbraw/zinc/25/68/19/310256819.db2.gz DJZMWNPQKWFLAZ-QGZVFWFLSA-N 2 2 334.895 3.483 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453104808 310258211 /nfs/dbraw/zinc/25/82/11/310258211.db2.gz DVXPRJLCUSBOCR-UHFFFAOYSA-N 2 2 330.516 3.413 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cc1cnccn1 ZINC000453196028 310263301 /nfs/dbraw/zinc/26/33/01/310263301.db2.gz LBLRURKOCJZXTA-YLJYHZDGSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cc1cnccn1 ZINC000453196028 310263302 /nfs/dbraw/zinc/26/33/02/310263302.db2.gz LBLRURKOCJZXTA-YLJYHZDGSA-N 2 2 326.488 3.154 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250337 310266625 /nfs/dbraw/zinc/26/66/25/310266625.db2.gz HFOILWGLXUGDDH-GOEBONIOSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250337 310266626 /nfs/dbraw/zinc/26/66/26/310266626.db2.gz HFOILWGLXUGDDH-GOEBONIOSA-N 2 2 342.430 3.176 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCCC[NH+]2CCCCC2)c[nH+]1 ZINC000454475717 310311680 /nfs/dbraw/zinc/31/16/80/310311680.db2.gz APVSUYOFBBXNBI-UHFFFAOYSA-N 2 2 332.492 3.154 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455841638 310379143 /nfs/dbraw/zinc/37/91/43/310379143.db2.gz DVUZRDHNNKTLBL-GUYCJALGSA-N 2 2 341.459 3.335 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000456391184 310403355 /nfs/dbraw/zinc/40/33/55/310403355.db2.gz PKUVYQJPFYDLRD-DOMZBBRYSA-N 2 2 334.851 3.037 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000456408950 310404714 /nfs/dbraw/zinc/40/47/14/310404714.db2.gz ZPIOPYAWHRBENO-RDJZCZTQSA-N 2 2 328.460 3.163 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccco1 ZINC000458766169 310519851 /nfs/dbraw/zinc/51/98/51/310519851.db2.gz LETLJIHHWAWUMR-PBHICJAKSA-N 2 2 344.459 3.220 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]C/C=C/c3ccncc3)CCCCC2)CCO1 ZINC000487280781 311018892 /nfs/dbraw/zinc/01/88/92/311018892.db2.gz QQJVQFYQTFCVIZ-VOTSOKGWSA-N 2 2 343.515 3.498 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]C/C=C/c3ccncc3)CCCCC2)CCO1 ZINC000487280781 311018893 /nfs/dbraw/zinc/01/88/93/311018893.db2.gz QQJVQFYQTFCVIZ-VOTSOKGWSA-N 2 2 343.515 3.498 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000496457625 311715525 /nfs/dbraw/zinc/71/55/25/311715525.db2.gz FBCIDGNNDXTCKT-KGLIPLIRSA-N 2 2 332.448 3.116 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506483209 312050191 /nfs/dbraw/zinc/05/01/91/312050191.db2.gz UYWPYESJDVUYDL-CEXWTWQISA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506483209 312050193 /nfs/dbraw/zinc/05/01/93/312050193.db2.gz UYWPYESJDVUYDL-CEXWTWQISA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506483209 312050194 /nfs/dbraw/zinc/05/01/94/312050194.db2.gz UYWPYESJDVUYDL-CEXWTWQISA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506483209 312050196 /nfs/dbraw/zinc/05/01/96/312050196.db2.gz UYWPYESJDVUYDL-CEXWTWQISA-N 2 2 337.552 3.268 20 0 EGADLP C[C@@H]1CCC[C@@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000507955254 312085621 /nfs/dbraw/zinc/08/56/21/312085621.db2.gz ZUFXAVTZLFOPQK-IAGOWNOFSA-N 2 2 330.520 3.272 20 0 EGADLP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000508193940 312090454 /nfs/dbraw/zinc/09/04/54/312090454.db2.gz WCCPNJOGZFHRIL-LJQANCHMSA-N 2 2 328.500 3.498 20 0 EGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000508193940 312090456 /nfs/dbraw/zinc/09/04/56/312090456.db2.gz WCCPNJOGZFHRIL-LJQANCHMSA-N 2 2 328.500 3.498 20 0 EGADLP CC[NH+](CC)[C@H](CNCc1cn2ccccc2[nH+]1)Cc1ccccc1 ZINC000508729735 312101235 /nfs/dbraw/zinc/10/12/35/312101235.db2.gz JFGCSJOBAJJASQ-FQEVSTJZSA-N 2 2 336.483 3.377 20 0 EGADLP C[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1 ZINC000511250049 312157351 /nfs/dbraw/zinc/15/73/51/312157351.db2.gz IXVDKZNJIMPATK-IBGZPJMESA-N 2 2 338.495 3.376 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1OC ZINC000514909695 312252899 /nfs/dbraw/zinc/25/28/99/312252899.db2.gz FINOQWAGJUGZHD-CRAIPNDOSA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000514909695 312252900 /nfs/dbraw/zinc/25/29/00/312252900.db2.gz FINOQWAGJUGZHD-CRAIPNDOSA-N 2 2 332.488 3.241 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000515996674 312304751 /nfs/dbraw/zinc/30/47/51/312304751.db2.gz DWVJZQHGKMCBJC-HNNXBMFYSA-N 2 2 347.507 3.060 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(-c2ccccc2)s1 ZINC000516562081 312329656 /nfs/dbraw/zinc/32/96/56/312329656.db2.gz LUQQGNBOJFHRSY-HOCLYGCPSA-N 2 2 345.512 3.434 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000516646170 312334883 /nfs/dbraw/zinc/33/48/83/312334883.db2.gz BWPBHMGXIYOFKY-CQSZACIVSA-N 2 2 338.459 3.083 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000517038305 312360486 /nfs/dbraw/zinc/36/04/86/312360486.db2.gz VHKSULGROWCFPT-KRWDZBQOSA-N 2 2 340.471 3.245 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000517038305 312360487 /nfs/dbraw/zinc/36/04/87/312360487.db2.gz VHKSULGROWCFPT-KRWDZBQOSA-N 2 2 340.471 3.245 20 0 EGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000527520187 312874122 /nfs/dbraw/zinc/87/41/22/312874122.db2.gz HECJSQQQUAWPPM-HOTGVXAUSA-N 2 2 331.460 3.462 20 0 EGADLP COc1cccc([C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)OC)c1 ZINC000527916651 312972663 /nfs/dbraw/zinc/97/26/63/312972663.db2.gz BJCVAUHKMCSGHN-IBGZPJMESA-N 2 2 341.455 3.036 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763468 313167368 /nfs/dbraw/zinc/16/73/68/313167368.db2.gz RXHWTQPQAWQAIU-QGZVFWFLSA-N 2 2 326.488 3.164 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763468 313167371 /nfs/dbraw/zinc/16/73/71/313167371.db2.gz RXHWTQPQAWQAIU-QGZVFWFLSA-N 2 2 326.488 3.164 20 0 EGADLP C[NH+](C)CCC1CC[NH+](Cc2ncc(Br)cc2F)CC1 ZINC000529527517 313343806 /nfs/dbraw/zinc/34/38/06/313343806.db2.gz SQXAJBJINAIREW-UHFFFAOYSA-N 2 2 344.272 3.147 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)n1C ZINC000529643357 313377243 /nfs/dbraw/zinc/37/72/43/313377243.db2.gz ZBCHDSKQABAORM-FQEVSTJZSA-N 2 2 326.488 3.071 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000535848591 314080116 /nfs/dbraw/zinc/08/01/16/314080116.db2.gz KSMMWJHRYZZYNZ-APWZRJJASA-N 2 2 333.439 3.423 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000535848591 314080120 /nfs/dbraw/zinc/08/01/20/314080120.db2.gz KSMMWJHRYZZYNZ-APWZRJJASA-N 2 2 333.439 3.423 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372460 314109402 /nfs/dbraw/zinc/10/94/02/314109402.db2.gz RZOLWNOAARIMRG-AWEZNQCLSA-N 2 2 342.418 3.124 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000536649871 314134647 /nfs/dbraw/zinc/13/46/47/314134647.db2.gz OKFVQCHAWMZACE-HNNXBMFYSA-N 2 2 332.488 3.325 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000536649871 314134652 /nfs/dbraw/zinc/13/46/52/314134652.db2.gz OKFVQCHAWMZACE-HNNXBMFYSA-N 2 2 332.488 3.325 20 0 EGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C)[C@H]1CCOC1 ZINC000537408103 314179118 /nfs/dbraw/zinc/17/91/18/314179118.db2.gz QWLROPAVEFIMEE-HKUYNNGSSA-N 2 2 331.504 3.364 20 0 EGADLP COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537984131 314221755 /nfs/dbraw/zinc/22/17/55/314221755.db2.gz JGISHPPUPBNIPU-DNVCBOLYSA-N 2 2 337.423 3.265 20 0 EGADLP COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537984132 314221783 /nfs/dbraw/zinc/22/17/83/314221783.db2.gz JGISHPPUPBNIPU-HNAYVOBHSA-N 2 2 337.423 3.265 20 0 EGADLP Cc1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000540542409 314388013 /nfs/dbraw/zinc/38/80/13/314388013.db2.gz QTVBORUDDXWCMF-UHFFFAOYSA-N 2 2 337.423 3.174 20 0 EGADLP Cc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000540542409 314388016 /nfs/dbraw/zinc/38/80/16/314388016.db2.gz QTVBORUDDXWCMF-UHFFFAOYSA-N 2 2 337.423 3.174 20 0 EGADLP Cn1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)nc2cccc(Cl)c21 ZINC000548486702 315016257 /nfs/dbraw/zinc/01/62/57/315016257.db2.gz LQRUDOSJFRCBMB-UHFFFAOYSA-N 2 2 332.879 3.191 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548860322 315056055 /nfs/dbraw/zinc/05/60/55/315056055.db2.gz YYLPQYDWRMHLFE-CVEARBPZSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000549100819 315075502 /nfs/dbraw/zinc/07/55/02/315075502.db2.gz PPPKJXFCFWFPQL-UHFFFAOYSA-N 2 2 339.439 3.477 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1conc1Cc1ccccc1)CCC2 ZINC000550156823 315118527 /nfs/dbraw/zinc/11/85/27/315118527.db2.gz MDQPNKFNTJLCDJ-KRWDZBQOSA-N 2 2 336.439 3.438 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000550860262 315136362 /nfs/dbraw/zinc/13/63/62/315136362.db2.gz HSDAJSBCMOPAFI-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000550860262 315136364 /nfs/dbraw/zinc/13/63/64/315136364.db2.gz HSDAJSBCMOPAFI-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551045858 315140816 /nfs/dbraw/zinc/14/08/16/315140816.db2.gz MPIIXODPOSOARF-MRXNPFEDSA-N 2 2 342.405 3.392 20 0 EGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000551045858 315140819 /nfs/dbraw/zinc/14/08/19/315140819.db2.gz MPIIXODPOSOARF-MRXNPFEDSA-N 2 2 342.405 3.392 20 0 EGADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273335 315148082 /nfs/dbraw/zinc/14/80/82/315148082.db2.gz VXGPAHGRPMEOKP-LAUBAEHRSA-N 2 2 330.516 3.354 20 0 EGADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273335 315148085 /nfs/dbraw/zinc/14/80/85/315148085.db2.gz VXGPAHGRPMEOKP-LAUBAEHRSA-N 2 2 330.516 3.354 20 0 EGADLP Clc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc2c1OCCCO2 ZINC000551587649 315160134 /nfs/dbraw/zinc/16/01/34/315160134.db2.gz FIZKALNDKAAXLK-UHFFFAOYSA-N 2 2 347.846 3.324 20 0 EGADLP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccncn2)cc1 ZINC000551803490 315170273 /nfs/dbraw/zinc/17/02/73/315170273.db2.gz IPNCYTJTJZZFES-NRFANRHFSA-N 2 2 345.450 3.220 20 0 EGADLP COc1ccc2c(c1)C[C@@H](Nc1ccc(Cn3cc[nH+]c3)c[nH+]1)CC2 ZINC000552195109 315204904 /nfs/dbraw/zinc/20/49/04/315204904.db2.gz TUJZJMAKUALMAQ-SFHVURJKSA-N 2 2 334.423 3.304 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)sc2c1 ZINC000554886446 315354604 /nfs/dbraw/zinc/35/46/04/315354604.db2.gz KUZFECNSXKCKRW-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)sc2c1 ZINC000554886446 315354605 /nfs/dbraw/zinc/35/46/05/315354605.db2.gz KUZFECNSXKCKRW-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)sc2c1 ZINC000554886446 315354609 /nfs/dbraw/zinc/35/46/09/315354609.db2.gz KUZFECNSXKCKRW-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)sc2c1 ZINC000554886446 315354610 /nfs/dbraw/zinc/35/46/10/315354610.db2.gz KUZFECNSXKCKRW-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000555587088 315392837 /nfs/dbraw/zinc/39/28/37/315392837.db2.gz YLWXWZXYRAWVSD-CVEARBPZSA-N 2 2 333.476 3.211 20 0 EGADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000563200893 315976154 /nfs/dbraw/zinc/97/61/54/315976154.db2.gz JZFXZZIOXVDFHY-SFHVURJKSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@H+]4CCOC[C@H]4C)CC3)cc2c1 ZINC000563363950 316007068 /nfs/dbraw/zinc/00/70/68/316007068.db2.gz NVSYTORULDXKPN-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@@H+]4CCOC[C@H]4C)CC3)cc2c1 ZINC000563363950 316007073 /nfs/dbraw/zinc/00/70/73/316007073.db2.gz NVSYTORULDXKPN-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nn2)cc1 ZINC000563869087 316082409 /nfs/dbraw/zinc/08/24/09/316082409.db2.gz XGNIPQUKRVSPQH-LJQANCHMSA-N 2 2 348.406 3.317 20 0 EGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nn2)cc1 ZINC000563869087 316082412 /nfs/dbraw/zinc/08/24/12/316082412.db2.gz XGNIPQUKRVSPQH-LJQANCHMSA-N 2 2 348.406 3.317 20 0 EGADLP C[C@H](CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930699 316233963 /nfs/dbraw/zinc/23/39/63/316233963.db2.gz XRHHVTQAVBZEQK-KZNAEPCWSA-N 2 2 336.520 3.052 20 0 EGADLP C[C@H](CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930699 316233965 /nfs/dbraw/zinc/23/39/65/316233965.db2.gz XRHHVTQAVBZEQK-KZNAEPCWSA-N 2 2 336.520 3.052 20 0 EGADLP C[C@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930699 316233968 /nfs/dbraw/zinc/23/39/68/316233968.db2.gz XRHHVTQAVBZEQK-KZNAEPCWSA-N 2 2 336.520 3.052 20 0 EGADLP C[C@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930699 316233971 /nfs/dbraw/zinc/23/39/71/316233971.db2.gz XRHHVTQAVBZEQK-KZNAEPCWSA-N 2 2 336.520 3.052 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000565155886 316276562 /nfs/dbraw/zinc/27/65/62/316276562.db2.gz HVHRHDMRJLDLBH-TZMCWYRMSA-N 2 2 326.868 3.449 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000565155886 316276563 /nfs/dbraw/zinc/27/65/63/316276563.db2.gz HVHRHDMRJLDLBH-TZMCWYRMSA-N 2 2 326.868 3.449 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)c1OC ZINC000565156870 316276919 /nfs/dbraw/zinc/27/69/19/316276919.db2.gz MYTYLLKNTDLCRR-OLZOCXBDSA-N 2 2 347.484 3.139 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)c1OC ZINC000565156870 316276922 /nfs/dbraw/zinc/27/69/22/316276922.db2.gz MYTYLLKNTDLCRR-OLZOCXBDSA-N 2 2 347.484 3.139 20 0 EGADLP CCSCC[C@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000565887514 316383442 /nfs/dbraw/zinc/38/34/42/316383442.db2.gz SVDRXKXYMCSPAQ-JKSUJKDBSA-N 2 2 335.517 3.135 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)n1C ZINC000571061232 317146626 /nfs/dbraw/zinc/14/66/26/317146626.db2.gz QMCOEGDNCAXSLZ-QRWLVFNGSA-N 2 2 343.471 3.144 20 0 EGADLP Cc1ncc2c(n1)CC[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000571408877 317196337 /nfs/dbraw/zinc/19/63/37/317196337.db2.gz CKVJWGJNYIMBCU-UHFFFAOYSA-N 2 2 336.483 3.329 20 0 EGADLP Cc1ncc2c(n1)CC[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000571408877 317196341 /nfs/dbraw/zinc/19/63/41/317196341.db2.gz CKVJWGJNYIMBCU-UHFFFAOYSA-N 2 2 336.483 3.329 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCCCC1 ZINC000571432448 317199497 /nfs/dbraw/zinc/19/94/97/317199497.db2.gz BWAMZBNVWGAEBX-AWEZNQCLSA-N 2 2 330.407 3.214 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)c2)cc1 ZINC000572234323 317309925 /nfs/dbraw/zinc/30/99/25/317309925.db2.gz RZQRAHAROXEXTQ-OXQOHEQNSA-N 2 2 337.467 3.477 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000572566360 317357036 /nfs/dbraw/zinc/35/70/36/317357036.db2.gz GLECFIQZSOEUKK-CRAIPNDOSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000572566360 317357039 /nfs/dbraw/zinc/35/70/39/317357039.db2.gz GLECFIQZSOEUKK-CRAIPNDOSA-N 2 2 349.438 3.119 20 0 EGADLP C[NH2+]CC1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000572772621 317389762 /nfs/dbraw/zinc/38/97/62/317389762.db2.gz HDBSZXPTWWIAAK-UHFFFAOYSA-N 2 2 333.220 3.159 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000573429316 317483380 /nfs/dbraw/zinc/48/33/80/317483380.db2.gz XLIQZKBUUUBMQQ-LBPRGKRZSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccnc1Cl ZINC000116396056 455054975 /nfs/dbraw/zinc/05/49/75/455054975.db2.gz QDSVCQAOTAUXGO-TZMCWYRMSA-N 2 2 340.899 3.018 20 0 EGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171961862 323263947 /nfs/dbraw/zinc/26/39/47/323263947.db2.gz PPTDPQCGGWJFKN-HNNXBMFYSA-N 2 2 340.870 3.066 20 0 EGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171961862 323263949 /nfs/dbraw/zinc/26/39/49/323263949.db2.gz PPTDPQCGGWJFKN-HNNXBMFYSA-N 2 2 340.870 3.066 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000179237319 323375930 /nfs/dbraw/zinc/37/59/30/323375930.db2.gz VRBVDUUPGDBEHE-AXFHLTTASA-N 2 2 332.311 3.429 20 0 EGADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC(C)C2)ccc1Oc1cc[nH+]cc1 ZINC000578763149 325016067 /nfs/dbraw/zinc/01/60/67/325016067.db2.gz NRDYHVWXRPEQHB-HNNXBMFYSA-N 2 2 325.412 3.461 20 0 EGADLP Cc1cccc(CC[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000578862721 325029613 /nfs/dbraw/zinc/02/96/13/325029613.db2.gz HBSUMVQSQDRTCJ-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP Cc1cccc(CC[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000578862721 325029617 /nfs/dbraw/zinc/02/96/17/325029617.db2.gz HBSUMVQSQDRTCJ-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4ccc(C)cn34)ccc2n1[C@@H](C)CO ZINC000579816943 325162687 /nfs/dbraw/zinc/16/26/87/325162687.db2.gz VTUFZPKDCRBHHB-AWEZNQCLSA-N 2 2 349.438 3.466 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960784 325314799 /nfs/dbraw/zinc/31/47/99/325314799.db2.gz WKHKWXDJLRIKPS-VHSXEESVSA-N 2 2 349.784 3.109 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960784 325314802 /nfs/dbraw/zinc/31/48/02/325314802.db2.gz WKHKWXDJLRIKPS-VHSXEESVSA-N 2 2 349.784 3.109 20 0 EGADLP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000581243200 325345105 /nfs/dbraw/zinc/34/51/05/325345105.db2.gz QEFYPVLJSCUIJT-ROUUACIJSA-N 2 2 340.471 3.276 20 0 EGADLP c1ccc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000581243200 325345108 /nfs/dbraw/zinc/34/51/08/325345108.db2.gz QEFYPVLJSCUIJT-ROUUACIJSA-N 2 2 340.471 3.276 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000581423455 325360018 /nfs/dbraw/zinc/36/00/18/325360018.db2.gz PRDOBGCILZIVEQ-GUDVDZBRSA-N 2 2 336.414 3.383 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3CC[NH+](CCC(C)C)CC3)ccn12 ZINC000581735160 325387195 /nfs/dbraw/zinc/38/71/95/325387195.db2.gz IROCQJNMDYZNBB-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000582480797 325444467 /nfs/dbraw/zinc/44/44/67/325444467.db2.gz AURTXWPVVYWIIM-YQVWRLOYSA-N 2 2 326.488 3.298 20 0 EGADLP COc1ccccc1OCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000583539290 325532017 /nfs/dbraw/zinc/53/20/17/325532017.db2.gz KFONFBIOWCSGNC-UHFFFAOYSA-N 2 2 346.393 3.080 20 0 EGADLP C[C@@H]1CN(Cc2ccsc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349272558 456928016 /nfs/dbraw/zinc/92/80/16/456928016.db2.gz ALIDQCWXSQOXHK-CYBMUJFWSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@@H]1CN(Cc2ccsc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349272558 456928020 /nfs/dbraw/zinc/92/80/20/456928020.db2.gz ALIDQCWXSQOXHK-CYBMUJFWSA-N 2 2 327.925 3.002 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339173658 456976381 /nfs/dbraw/zinc/97/63/81/456976381.db2.gz RSFGFPDWIATZKL-OAHLLOKOSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339173658 456976385 /nfs/dbraw/zinc/97/63/85/456976385.db2.gz RSFGFPDWIATZKL-OAHLLOKOSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[C@@H]([NH3+])C4)cc3)[nH+]c12 ZINC000237858968 455226089 /nfs/dbraw/zinc/22/60/89/455226089.db2.gz NZCMSTSQZXJMEB-HZPDHXFCSA-N 2 2 334.423 3.376 20 0 EGADLP Cc1ccc(N2CCC[C@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)cc1 ZINC000173370184 455274523 /nfs/dbraw/zinc/27/45/23/455274523.db2.gz PPYMLPTWSGMPAL-IBGZPJMESA-N 2 2 338.455 3.024 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448032 455304203 /nfs/dbraw/zinc/30/42/03/455304203.db2.gz MNSHGMFECYPJQX-ROUUACIJSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448032 455304206 /nfs/dbraw/zinc/30/42/06/455304206.db2.gz MNSHGMFECYPJQX-ROUUACIJSA-N 2 2 343.515 3.384 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245452299 455304686 /nfs/dbraw/zinc/30/46/86/455304686.db2.gz QGTGZVJXZVFIJI-OALUTQOASA-N 2 2 343.515 3.236 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245452299 455304691 /nfs/dbraw/zinc/30/46/91/455304691.db2.gz QGTGZVJXZVFIJI-OALUTQOASA-N 2 2 343.515 3.236 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245591961 455336755 /nfs/dbraw/zinc/33/67/55/455336755.db2.gz KWJHMGIOZNQNDB-AOIWGVFYSA-N 2 2 340.471 3.208 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245591961 455336761 /nfs/dbraw/zinc/33/67/61/455336761.db2.gz KWJHMGIOZNQNDB-AOIWGVFYSA-N 2 2 340.471 3.208 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(OC)ccc1Br ZINC000032239308 453866085 /nfs/dbraw/zinc/86/60/85/453866085.db2.gz HMZOBOIXUWCIGO-UHFFFAOYSA-N 2 2 329.282 3.279 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)Cn1cc[nH+]c1 ZINC000081797504 453909726 /nfs/dbraw/zinc/90/97/26/453909726.db2.gz CSEVTDPTDMSJCM-HNNXBMFYSA-N 2 2 335.411 3.088 20 0 EGADLP Cc1cc([C@](C)(O)C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)c(C)o1 ZINC000084047250 453966457 /nfs/dbraw/zinc/96/64/57/453966457.db2.gz YZVVWXWQOVWBRT-HXUWFJFHSA-N 2 2 339.439 3.388 20 0 EGADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cscn3)cc2)C[C@H](C)O1 ZINC000084706362 454006587 /nfs/dbraw/zinc/00/65/87/454006587.db2.gz MRFGFXLMMGLCQP-GJZGRUSLSA-N 2 2 331.485 3.042 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccsc1 ZINC000068414259 454024499 /nfs/dbraw/zinc/02/44/99/454024499.db2.gz ZQFHWQQZFXOCKI-INIZCTEOSA-N 2 2 342.468 3.209 20 0 EGADLP Cn1c(CCC[NH2+]Cc2cnn(-c3ccccc3)c2)[nH+]c2ccccc21 ZINC000076901273 454047241 /nfs/dbraw/zinc/04/72/41/454047241.db2.gz XWULTFHPJYWPRS-UHFFFAOYSA-N 2 2 345.450 3.481 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000076898184 454047421 /nfs/dbraw/zinc/04/74/21/454047421.db2.gz AMDLTLOUHAGTFF-QGZVFWFLSA-N 2 2 332.488 3.208 20 0 EGADLP CC[C@H](CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000068840051 454059584 /nfs/dbraw/zinc/05/95/84/454059584.db2.gz DNNWGFZNOPUYKR-QGZVFWFLSA-N 2 2 339.439 3.082 20 0 EGADLP c1cc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)[nH]n1 ZINC000068986183 454070565 /nfs/dbraw/zinc/07/05/65/454070565.db2.gz VZZKOGALCDXOPF-UHFFFAOYSA-N 2 2 326.488 3.234 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)Oc1ccccc1 ZINC000089722008 454184161 /nfs/dbraw/zinc/18/41/61/454184161.db2.gz IEEGJHZKQCMMLH-QGZVFWFLSA-N 2 2 325.456 3.103 20 0 EGADLP Cc1cn2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC000071540830 454208977 /nfs/dbraw/zinc/20/89/77/454208977.db2.gz QXRTWSOFKZWACM-UHFFFAOYSA-N 2 2 348.450 3.037 20 0 EGADLP C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095423045 454209214 /nfs/dbraw/zinc/20/92/14/454209214.db2.gz TXFIRYLMQQTCSD-KDOFPFPSSA-N 2 2 327.453 3.492 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000095445235 454213687 /nfs/dbraw/zinc/21/36/87/454213687.db2.gz VYNOMAHBLFLYHB-GOSISDBHSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000095445235 454213689 /nfs/dbraw/zinc/21/36/89/454213689.db2.gz VYNOMAHBLFLYHB-GOSISDBHSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119926112 454236581 /nfs/dbraw/zinc/23/65/81/454236581.db2.gz FCHMPZGECZSQJH-KXBFYZLASA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119926112 454236589 /nfs/dbraw/zinc/23/65/89/454236589.db2.gz FCHMPZGECZSQJH-KXBFYZLASA-N 2 2 338.455 3.422 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000120202520 454271412 /nfs/dbraw/zinc/27/14/12/454271412.db2.gz XLBZMWVRCNRPEW-MLGOLLRUSA-N 2 2 346.500 3.391 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000120202520 454271414 /nfs/dbraw/zinc/27/14/14/454271414.db2.gz XLBZMWVRCNRPEW-MLGOLLRUSA-N 2 2 346.500 3.391 20 0 EGADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090224764 454295120 /nfs/dbraw/zinc/29/51/20/454295120.db2.gz KWXJCBOKTJYHKT-ACJLOTCBSA-N 2 2 336.443 3.266 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090847060 454345504 /nfs/dbraw/zinc/34/55/04/454345504.db2.gz LLXQBQPATMSFMJ-QGZVFWFLSA-N 3 2 327.472 3.224 20 0 EGADLP CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)Cc2ccccc2C1 ZINC000090972703 454357017 /nfs/dbraw/zinc/35/70/17/454357017.db2.gz MMUUWRKOIKEAOR-UHFFFAOYSA-N 2 2 335.495 3.441 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000091961154 454496422 /nfs/dbraw/zinc/49/64/22/454496422.db2.gz ULFZOTHGCCZZRY-PXNSSMCTSA-N 2 2 343.471 3.382 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000091961154 454496426 /nfs/dbraw/zinc/49/64/26/454496426.db2.gz ULFZOTHGCCZZRY-PXNSSMCTSA-N 2 2 343.471 3.382 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)[nH+]c12 ZINC000122072274 454508187 /nfs/dbraw/zinc/50/81/87/454508187.db2.gz AUTIVEIVQCPSPX-KSZLIROESA-N 2 2 325.456 3.123 20 0 EGADLP OCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043791 454508666 /nfs/dbraw/zinc/50/86/66/454508666.db2.gz LESHQPXLTZFHBB-RXVVDRJESA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043791 454508670 /nfs/dbraw/zinc/50/86/70/454508670.db2.gz LESHQPXLTZFHBB-RXVVDRJESA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000092043791 454508677 /nfs/dbraw/zinc/50/86/77/454508677.db2.gz LESHQPXLTZFHBB-RXVVDRJESA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000092043791 454508682 /nfs/dbraw/zinc/50/86/82/454508682.db2.gz LESHQPXLTZFHBB-RXVVDRJESA-N 2 2 340.467 3.258 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000092066651 454513600 /nfs/dbraw/zinc/51/36/00/454513600.db2.gz SPPIPIUTQJGGHN-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000092066651 454513605 /nfs/dbraw/zinc/51/36/05/454513605.db2.gz SPPIPIUTQJGGHN-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1OC ZINC000092066651 454513611 /nfs/dbraw/zinc/51/36/11/454513611.db2.gz SPPIPIUTQJGGHN-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1OC ZINC000092066651 454513614 /nfs/dbraw/zinc/51/36/14/454513614.db2.gz SPPIPIUTQJGGHN-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)c1 ZINC000104720167 454598036 /nfs/dbraw/zinc/59/80/36/454598036.db2.gz IHJVMRXKRXSLSB-ZDUSSCGKSA-N 2 2 333.382 3.252 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3c(F)cccc3F)CC2)c1 ZINC000104719957 454598074 /nfs/dbraw/zinc/59/80/74/454598074.db2.gz ZPYHQBMUUDJUBM-ZDUSSCGKSA-N 2 2 333.382 3.252 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000123096662 454601523 /nfs/dbraw/zinc/60/15/23/454601523.db2.gz LBWHMYYDKZUVQX-GOSISDBHSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000123096662 454601526 /nfs/dbraw/zinc/60/15/26/454601526.db2.gz LBWHMYYDKZUVQX-GOSISDBHSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccsc3)c2cc1C ZINC000051127501 454610176 /nfs/dbraw/zinc/61/01/76/454610176.db2.gz CZXBDENIFMQYQV-MRXNPFEDSA-N 2 2 329.469 3.208 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccsc3)c2cc1C ZINC000051127501 454610180 /nfs/dbraw/zinc/61/01/80/454610180.db2.gz CZXBDENIFMQYQV-MRXNPFEDSA-N 2 2 329.469 3.208 20 0 EGADLP CCCC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000135190128 454644617 /nfs/dbraw/zinc/64/46/17/454644617.db2.gz ZJVSUAFNSJFNOO-QGZVFWFLSA-N 2 2 338.517 3.282 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002067 454646651 /nfs/dbraw/zinc/64/66/51/454646651.db2.gz HHWHPZLLFLYGPT-MSOLQXFVSA-N 2 2 335.536 3.116 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000080959122 454657147 /nfs/dbraw/zinc/65/71/47/454657147.db2.gz KYTLKMUPAIYZKJ-CYBMUJFWSA-N 2 2 332.835 3.271 20 0 EGADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000080959122 454657150 /nfs/dbraw/zinc/65/71/50/454657150.db2.gz KYTLKMUPAIYZKJ-CYBMUJFWSA-N 2 2 332.835 3.271 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000080960073 454658203 /nfs/dbraw/zinc/65/82/03/454658203.db2.gz DKPVZSKRCGSABM-HIFRSBDPSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000080960073 454658207 /nfs/dbraw/zinc/65/82/07/454658207.db2.gz DKPVZSKRCGSABM-HIFRSBDPSA-N 2 2 346.862 3.120 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Br)c1 ZINC000124269757 454711816 /nfs/dbraw/zinc/71/18/16/454711816.db2.gz TVOBHDITIROEOX-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Br)c1 ZINC000124269757 454711819 /nfs/dbraw/zinc/71/18/19/454711819.db2.gz TVOBHDITIROEOX-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770441 454735107 /nfs/dbraw/zinc/73/51/07/454735107.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 3 2 331.548 3.418 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770441 454735108 /nfs/dbraw/zinc/73/51/08/454735108.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 3 2 331.548 3.418 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770441 454735110 /nfs/dbraw/zinc/73/51/10/454735110.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 3 2 331.548 3.418 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770441 454735111 /nfs/dbraw/zinc/73/51/11/454735111.db2.gz DTQPRXVENOCMBD-FQEVSTJZSA-N 3 2 331.548 3.418 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865673 454741030 /nfs/dbraw/zinc/74/10/30/454741030.db2.gz ZHKPEVKKXCUERP-HNNXBMFYSA-N 2 2 332.473 3.038 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865673 454741035 /nfs/dbraw/zinc/74/10/35/454741035.db2.gz ZHKPEVKKXCUERP-HNNXBMFYSA-N 2 2 332.473 3.038 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000107290181 454749351 /nfs/dbraw/zinc/74/93/51/454749351.db2.gz QNISCVWWTWKLSW-INIZCTEOSA-N 2 2 327.403 3.380 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000107290181 454749356 /nfs/dbraw/zinc/74/93/56/454749356.db2.gz QNISCVWWTWKLSW-INIZCTEOSA-N 2 2 327.403 3.380 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000136736826 454754711 /nfs/dbraw/zinc/75/47/11/454754711.db2.gz AJUOTKDDSJZCLO-VQIMIIECSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000136736826 454754714 /nfs/dbraw/zinc/75/47/14/454754714.db2.gz AJUOTKDDSJZCLO-VQIMIIECSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000136736826 454754719 /nfs/dbraw/zinc/75/47/19/454754719.db2.gz AJUOTKDDSJZCLO-VQIMIIECSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000136736826 454754723 /nfs/dbraw/zinc/75/47/23/454754723.db2.gz AJUOTKDDSJZCLO-VQIMIIECSA-N 2 2 346.446 3.061 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009439 460652446 /nfs/dbraw/zinc/65/24/46/460652446.db2.gz GZIGEFSVTXNXPZ-MISYRCLQSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009439 460652452 /nfs/dbraw/zinc/65/24/52/460652452.db2.gz GZIGEFSVTXNXPZ-MISYRCLQSA-N 3 2 329.532 3.265 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(C)cc1 ZINC000635010689 460653171 /nfs/dbraw/zinc/65/31/71/460653171.db2.gz KZDXTICZVSVJML-DOTOQJQBSA-N 2 2 341.503 3.313 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139810983 454812172 /nfs/dbraw/zinc/81/21/72/454812172.db2.gz UXFFNSKHFAKTJC-ZMSDIMECSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139810983 454812174 /nfs/dbraw/zinc/81/21/74/454812174.db2.gz UXFFNSKHFAKTJC-ZMSDIMECSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139810983 454812177 /nfs/dbraw/zinc/81/21/77/454812177.db2.gz UXFFNSKHFAKTJC-ZMSDIMECSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139810983 454812178 /nfs/dbraw/zinc/81/21/78/454812178.db2.gz UXFFNSKHFAKTJC-ZMSDIMECSA-N 2 2 347.528 3.152 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)Cn1cc[nH+]c1 ZINC000163071870 454820844 /nfs/dbraw/zinc/82/08/44/454820844.db2.gz IQHZZQZBLCXWGB-INIZCTEOSA-N 2 2 346.906 3.427 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cn1cc[nH+]c1 ZINC000163071870 454820846 /nfs/dbraw/zinc/82/08/46/454820846.db2.gz IQHZZQZBLCXWGB-INIZCTEOSA-N 3 2 346.906 3.427 20 0 EGADLP C[N@H+](Cc1ccc(Br)o1)Cc1ccc(-n2ccnc2)nc1 ZINC000177255062 454843150 /nfs/dbraw/zinc/84/31/50/454843150.db2.gz HORIGMQUJJFBDL-UHFFFAOYSA-N 2 2 347.216 3.255 20 0 EGADLP C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(-n2ccnc2)nc1 ZINC000177255062 454843153 /nfs/dbraw/zinc/84/31/53/454843153.db2.gz HORIGMQUJJFBDL-UHFFFAOYSA-N 2 2 347.216 3.255 20 0 EGADLP C[N@H+](Cc1ccc(Br)o1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177255062 454843156 /nfs/dbraw/zinc/84/31/56/454843156.db2.gz HORIGMQUJJFBDL-UHFFFAOYSA-N 2 2 347.216 3.255 20 0 EGADLP C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177255062 454843160 /nfs/dbraw/zinc/84/31/60/454843160.db2.gz HORIGMQUJJFBDL-UHFFFAOYSA-N 2 2 347.216 3.255 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583459 454856613 /nfs/dbraw/zinc/85/66/13/454856613.db2.gz NHUAZXLZJRGYOA-HNAYVOBHSA-N 3 2 335.923 3.377 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583459 454856615 /nfs/dbraw/zinc/85/66/15/454856615.db2.gz NHUAZXLZJRGYOA-HNAYVOBHSA-N 3 2 335.923 3.377 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246393111 455482193 /nfs/dbraw/zinc/48/21/93/455482193.db2.gz BFZHMBITYBUUHW-LAUBAEHRSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246393111 455482198 /nfs/dbraw/zinc/48/21/98/455482198.db2.gz BFZHMBITYBUUHW-LAUBAEHRSA-N 2 2 339.483 3.133 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000165350420 454898585 /nfs/dbraw/zinc/89/85/85/454898585.db2.gz XSGNTNVLLQSEOK-IRXDYDNUSA-N 2 2 326.444 3.323 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367163 454900088 /nfs/dbraw/zinc/90/00/88/454900088.db2.gz PTIFBHUMJVOSKT-GUXCAODWSA-N 3 2 333.495 3.108 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367163 454900092 /nfs/dbraw/zinc/90/00/92/454900092.db2.gz PTIFBHUMJVOSKT-GUXCAODWSA-N 3 2 333.495 3.108 20 0 EGADLP COC(=O)[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154542811 454906002 /nfs/dbraw/zinc/90/60/02/454906002.db2.gz QINAVUVDELQSFX-YOEHRIQHSA-N 2 2 347.846 3.224 20 0 EGADLP COC(=O)[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154542811 454906006 /nfs/dbraw/zinc/90/60/06/454906006.db2.gz QINAVUVDELQSFX-YOEHRIQHSA-N 2 2 347.846 3.224 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256274 454909578 /nfs/dbraw/zinc/90/95/78/454909578.db2.gz KHTBTFLRXFCCKK-YDHLFZDLSA-N 2 2 327.472 3.192 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256274 454909582 /nfs/dbraw/zinc/90/95/82/454909582.db2.gz KHTBTFLRXFCCKK-YDHLFZDLSA-N 2 2 327.472 3.192 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@@H+]1C1CC1 ZINC000177939862 454921391 /nfs/dbraw/zinc/92/13/91/454921391.db2.gz FLKYDXBSUUKNPL-JOTOCRJQSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@H+]1C1CC1 ZINC000177939862 454921394 /nfs/dbraw/zinc/92/13/94/454921394.db2.gz FLKYDXBSUUKNPL-JOTOCRJQSA-N 2 2 328.456 3.124 20 0 EGADLP C[N@H+](C[C@@H](O)c1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481163 454957227 /nfs/dbraw/zinc/95/72/27/454957227.db2.gz IGQNXXBLQLMGEO-OAQYLSRUSA-N 2 2 342.458 3.456 20 0 EGADLP C[N@@H+](C[C@@H](O)c1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481163 454957230 /nfs/dbraw/zinc/95/72/30/454957230.db2.gz IGQNXXBLQLMGEO-OAQYLSRUSA-N 2 2 342.458 3.456 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000151284694 454962579 /nfs/dbraw/zinc/96/25/79/454962579.db2.gz YENBUAHKRKYOSN-DNVCBOLYSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000151284694 454962580 /nfs/dbraw/zinc/96/25/80/454962580.db2.gz YENBUAHKRKYOSN-DNVCBOLYSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178681920 454967664 /nfs/dbraw/zinc/96/76/64/454967664.db2.gz UGNRUWWKNULOKV-HNNXBMFYSA-N 2 2 326.488 3.216 20 0 EGADLP CC[NH+](CC)Cc1cccc(NC(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000127534494 454974550 /nfs/dbraw/zinc/97/45/50/454974550.db2.gz GBOWHUWHFISPDY-UHFFFAOYSA-N 2 2 336.439 3.357 20 0 EGADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178886124 454987525 /nfs/dbraw/zinc/98/75/25/454987525.db2.gz BLXXUZREEZMPPY-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000155374691 454993523 /nfs/dbraw/zinc/99/35/23/454993523.db2.gz BAGHDKMYLVMAES-HKUYNNGSSA-N 2 2 333.520 3.070 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000155374691 454993530 /nfs/dbraw/zinc/99/35/30/454993530.db2.gz BAGHDKMYLVMAES-HKUYNNGSSA-N 2 2 333.520 3.070 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000151627048 455008965 /nfs/dbraw/zinc/00/89/65/455008965.db2.gz DDFNPCZRHZPUJR-MRXNPFEDSA-N 2 2 334.435 3.063 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000151627048 455008967 /nfs/dbraw/zinc/00/89/67/455008967.db2.gz DDFNPCZRHZPUJR-MRXNPFEDSA-N 2 2 334.435 3.063 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cn1 ZINC000179109742 455009080 /nfs/dbraw/zinc/00/90/80/455009080.db2.gz CVMCNPPDJFJCCG-GFCCVEGCSA-N 2 2 327.819 3.475 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000267116451 455503431 /nfs/dbraw/zinc/50/34/31/455503431.db2.gz NQSODJMSBDILTN-KRWDZBQOSA-N 2 2 342.487 3.181 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000267116451 455503439 /nfs/dbraw/zinc/50/34/39/455503439.db2.gz NQSODJMSBDILTN-KRWDZBQOSA-N 2 2 342.487 3.181 20 0 EGADLP CCCc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000179395855 455043522 /nfs/dbraw/zinc/04/35/22/455043522.db2.gz AEAJQLODQSBFLB-UHFFFAOYSA-N 2 2 343.475 3.156 20 0 EGADLP CCCc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000179395855 455043527 /nfs/dbraw/zinc/04/35/27/455043527.db2.gz AEAJQLODQSBFLB-UHFFFAOYSA-N 2 2 343.475 3.156 20 0 EGADLP Fc1cccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)c1 ZINC000179428616 455047209 /nfs/dbraw/zinc/04/72/09/455047209.db2.gz JGKMYDPOSRAGEL-UHFFFAOYSA-N 2 2 325.387 3.269 20 0 EGADLP C[C@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000116336853 455052988 /nfs/dbraw/zinc/05/29/88/455052988.db2.gz GBMMHNGMWKZDSF-CQSZACIVSA-N 2 2 343.862 3.363 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116395940 455053797 /nfs/dbraw/zinc/05/37/97/455053797.db2.gz BQBCWZZNMCLSDL-CRAIPNDOSA-N 2 2 349.519 3.368 20 0 EGADLP CCc1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000171305154 455060037 /nfs/dbraw/zinc/06/00/37/455060037.db2.gz VBTNIEVMNMCLTE-GASCZTMLSA-N 2 2 337.533 3.027 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1cccs1 ZINC000171690357 455087026 /nfs/dbraw/zinc/08/70/26/455087026.db2.gz DXLRJTOPXQPLDN-KBPBESRZSA-N 2 2 347.488 3.011 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000179842125 455088221 /nfs/dbraw/zinc/08/82/21/455088221.db2.gz KDGNVFSMRMIQIJ-INIZCTEOSA-N 2 2 332.835 3.468 20 0 EGADLP CCc1cc(NC2CC[NH+](CC3CC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000171944970 455103215 /nfs/dbraw/zinc/10/32/15/455103215.db2.gz IUTLKUDAGFQMML-UHFFFAOYSA-N 2 2 337.471 3.387 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCOC1 ZINC000179955731 455105654 /nfs/dbraw/zinc/10/56/54/455105654.db2.gz IBZDWKVSCYONEX-SJLPKXTDSA-N 2 2 331.504 3.302 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)co2)cc1 ZINC000118841320 455113197 /nfs/dbraw/zinc/11/31/97/455113197.db2.gz SSLDOVJGNFFRIX-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)co2)cc1 ZINC000118841320 455113200 /nfs/dbraw/zinc/11/32/00/455113200.db2.gz SSLDOVJGNFFRIX-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2nc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)co2)cc1 ZINC000118841320 455113201 /nfs/dbraw/zinc/11/32/01/455113201.db2.gz SSLDOVJGNFFRIX-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2nc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)co2)cc1 ZINC000118841320 455113205 /nfs/dbraw/zinc/11/32/05/455113205.db2.gz SSLDOVJGNFFRIX-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841680 455114429 /nfs/dbraw/zinc/11/44/29/455114429.db2.gz HRNNFIJPWKSUOM-QGZVFWFLSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841680 455114432 /nfs/dbraw/zinc/11/44/32/455114432.db2.gz HRNNFIJPWKSUOM-QGZVFWFLSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841680 455114434 /nfs/dbraw/zinc/11/44/34/455114434.db2.gz HRNNFIJPWKSUOM-QGZVFWFLSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841680 455114438 /nfs/dbraw/zinc/11/44/38/455114438.db2.gz HRNNFIJPWKSUOM-QGZVFWFLSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc[nH+]1 ZINC000119145736 455128142 /nfs/dbraw/zinc/12/81/42/455128142.db2.gz QMJGAWRBZHHQDT-MRXNPFEDSA-N 2 2 328.416 3.332 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000156600630 455136567 /nfs/dbraw/zinc/13/65/67/455136567.db2.gz JPQQKWMZSDAJIK-YLJYHZDGSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000156600630 455136570 /nfs/dbraw/zinc/13/65/70/455136570.db2.gz JPQQKWMZSDAJIK-YLJYHZDGSA-N 2 2 327.472 3.442 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000157015547 455161560 /nfs/dbraw/zinc/16/15/60/455161560.db2.gz CYKWPEYYHMAYIY-WDYCEAGBSA-N 2 2 332.488 3.378 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000157015547 455161562 /nfs/dbraw/zinc/16/15/62/455161562.db2.gz CYKWPEYYHMAYIY-WDYCEAGBSA-N 2 2 332.488 3.378 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157127116 455166185 /nfs/dbraw/zinc/16/61/85/455166185.db2.gz HRJPKSIWVHRDOJ-ICSRJNTNSA-N 2 2 343.515 3.156 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157127116 455166187 /nfs/dbraw/zinc/16/61/87/455166187.db2.gz HRJPKSIWVHRDOJ-ICSRJNTNSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644818 455167227 /nfs/dbraw/zinc/16/72/27/455167227.db2.gz YEZNTUXVYCOPQD-JKSUJKDBSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644818 455167232 /nfs/dbraw/zinc/16/72/32/455167232.db2.gz YEZNTUXVYCOPQD-JKSUJKDBSA-N 2 2 349.906 3.393 20 0 EGADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000189349381 455181539 /nfs/dbraw/zinc/18/15/39/455181539.db2.gz MFEAMZUMNMNSLD-ZDUSSCGKSA-N 2 2 326.843 3.070 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157417713 455192081 /nfs/dbraw/zinc/19/20/81/455192081.db2.gz TUAADZAAJCEWKU-OALUTQOASA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157417713 455192086 /nfs/dbraw/zinc/19/20/86/455192086.db2.gz TUAADZAAJCEWKU-OALUTQOASA-N 2 2 337.552 3.268 20 0 EGADLP c1cn2c(cccc2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000180547283 455193338 /nfs/dbraw/zinc/19/33/38/455193338.db2.gz NXHXHEMHVOXYAN-UHFFFAOYSA-N 3 2 326.488 3.422 20 0 EGADLP C[C@H]1CCC[C@@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237584391 455196326 /nfs/dbraw/zinc/19/63/26/455196326.db2.gz VFNWOVFHILRXCA-FPOVZHCZSA-N 2 2 329.532 3.363 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413890 455292163 /nfs/dbraw/zinc/29/21/63/455292163.db2.gz BWEUVVDSXJMGCH-MOPGFXCFSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413890 455292164 /nfs/dbraw/zinc/29/21/64/455292164.db2.gz BWEUVVDSXJMGCH-MOPGFXCFSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413890 455292166 /nfs/dbraw/zinc/29/21/66/455292166.db2.gz BWEUVVDSXJMGCH-MOPGFXCFSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413890 455292169 /nfs/dbraw/zinc/29/21/69/455292169.db2.gz BWEUVVDSXJMGCH-MOPGFXCFSA-N 2 2 345.531 3.006 20 0 EGADLP C[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000173518754 455300186 /nfs/dbraw/zinc/30/01/86/455300186.db2.gz VZSFSFVCXSDYOL-QGZVFWFLSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000173518754 455300189 /nfs/dbraw/zinc/30/01/89/455300189.db2.gz VZSFSFVCXSDYOL-QGZVFWFLSA-N 2 2 348.450 3.071 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158583358 455314038 /nfs/dbraw/zinc/31/40/38/455314038.db2.gz RXQWTIFNIBBQBR-GUDVDZBRSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158583358 455314040 /nfs/dbraw/zinc/31/40/40/455314040.db2.gz RXQWTIFNIBBQBR-GUDVDZBRSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000158583358 455314044 /nfs/dbraw/zinc/31/40/44/455314044.db2.gz RXQWTIFNIBBQBR-GUDVDZBRSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000158583358 455314046 /nfs/dbraw/zinc/31/40/46/455314046.db2.gz RXQWTIFNIBBQBR-GUDVDZBRSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000265407131 455320526 /nfs/dbraw/zinc/32/05/26/455320526.db2.gz ZYBQIVGSYORZOZ-SFHVURJKSA-N 2 2 338.455 3.148 20 0 EGADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245674365 455352829 /nfs/dbraw/zinc/35/28/29/455352829.db2.gz GJDIDJORESJGSM-ROUUACIJSA-N 2 2 334.529 3.211 20 0 EGADLP C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245674365 455352834 /nfs/dbraw/zinc/35/28/34/455352834.db2.gz GJDIDJORESJGSM-ROUUACIJSA-N 2 2 334.529 3.211 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000245745364 455371477 /nfs/dbraw/zinc/37/14/77/455371477.db2.gz XXDCVTGZEYEOJW-RVKKMQEKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000245745364 455371478 /nfs/dbraw/zinc/37/14/78/455371478.db2.gz XXDCVTGZEYEOJW-RVKKMQEKSA-N 2 2 344.434 3.241 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958078 455405056 /nfs/dbraw/zinc/40/50/56/455405056.db2.gz ITXANKGPIFSSQL-PBHICJAKSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245956020 455407459 /nfs/dbraw/zinc/40/74/59/455407459.db2.gz XINQJGLPYWSXBR-XWPNQZOQSA-N 2 2 343.515 3.400 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000181977056 455408352 /nfs/dbraw/zinc/40/83/52/455408352.db2.gz HUJGNBVRPITSPP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000181977056 455408357 /nfs/dbraw/zinc/40/83/57/455408357.db2.gz HUJGNBVRPITSPP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000181977056 455408362 /nfs/dbraw/zinc/40/83/62/455408362.db2.gz HUJGNBVRPITSPP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000181977056 455408366 /nfs/dbraw/zinc/40/83/66/455408366.db2.gz HUJGNBVRPITSPP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000190959944 455414911 /nfs/dbraw/zinc/41/49/11/455414911.db2.gz JNGWJUVPFNEFQV-GOSISDBHSA-N 2 2 345.487 3.094 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246100778 455426518 /nfs/dbraw/zinc/42/65/18/455426518.db2.gz OQSCZLBNMPCVQG-UXLLHSPISA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246100778 455426521 /nfs/dbraw/zinc/42/65/21/455426521.db2.gz OQSCZLBNMPCVQG-UXLLHSPISA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246100778 455426526 /nfs/dbraw/zinc/42/65/26/455426526.db2.gz OQSCZLBNMPCVQG-UXLLHSPISA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246100778 455426529 /nfs/dbraw/zinc/42/65/29/455426529.db2.gz OQSCZLBNMPCVQG-UXLLHSPISA-N 2 2 346.471 3.384 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246122784 455431299 /nfs/dbraw/zinc/43/12/99/455431299.db2.gz DMQQGCVWFCDACA-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246122784 455431302 /nfs/dbraw/zinc/43/13/02/455431302.db2.gz DMQQGCVWFCDACA-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000246149532 455437076 /nfs/dbraw/zinc/43/70/76/455437076.db2.gz BWIYZXTYWKCMNP-MBOZVWFJSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000246149532 455437078 /nfs/dbraw/zinc/43/70/78/455437078.db2.gz BWIYZXTYWKCMNP-MBOZVWFJSA-N 3 2 326.488 3.253 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188365 455444756 /nfs/dbraw/zinc/44/47/56/455444756.db2.gz LSWGIOHGDJWQQV-GJZGRUSLSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188365 455444762 /nfs/dbraw/zinc/44/47/62/455444762.db2.gz LSWGIOHGDJWQQV-GJZGRUSLSA-N 2 2 335.879 3.085 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228468 455453650 /nfs/dbraw/zinc/45/36/50/455453650.db2.gz PYEOVXKKUDJRQQ-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228468 455453657 /nfs/dbraw/zinc/45/36/57/455453657.db2.gz PYEOVXKKUDJRQQ-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228468 455453660 /nfs/dbraw/zinc/45/36/60/455453660.db2.gz PYEOVXKKUDJRQQ-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246228468 455453663 /nfs/dbraw/zinc/45/36/63/455453663.db2.gz PYEOVXKKUDJRQQ-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000247100936 455559802 /nfs/dbraw/zinc/55/98/02/455559802.db2.gz PZYNBKSOJPWIML-HIFRSBDPSA-N 2 2 339.277 3.347 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000247100936 455559805 /nfs/dbraw/zinc/55/98/05/455559805.db2.gz PZYNBKSOJPWIML-HIFRSBDPSA-N 2 2 339.277 3.347 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000247195840 455570998 /nfs/dbraw/zinc/57/09/98/455570998.db2.gz VZLXVSANRFIOFG-SFHLNBCPSA-N 3 2 344.547 3.004 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214497 455574305 /nfs/dbraw/zinc/57/43/05/455574305.db2.gz WAFWHEJAUVMQLN-SWLSCSKDSA-N 2 2 328.403 3.117 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214497 455574306 /nfs/dbraw/zinc/57/43/06/455574306.db2.gz WAFWHEJAUVMQLN-SWLSCSKDSA-N 2 2 328.403 3.117 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000268042784 455584261 /nfs/dbraw/zinc/58/42/61/455584261.db2.gz QTPODZOJQSNIAJ-UHFFFAOYSA-N 2 2 349.544 3.148 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247325201 455588350 /nfs/dbraw/zinc/58/83/50/455588350.db2.gz GFLHMJDPZVYVDI-ZHALLVOQSA-N 2 2 344.503 3.161 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247325201 455588352 /nfs/dbraw/zinc/58/83/52/455588352.db2.gz GFLHMJDPZVYVDI-ZHALLVOQSA-N 2 2 344.503 3.161 20 0 EGADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277601052 455610599 /nfs/dbraw/zinc/61/05/99/455610599.db2.gz PXYUTVPJOIUCFW-MLGOLLRUSA-N 2 2 345.830 3.255 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755951 455615161 /nfs/dbraw/zinc/61/51/61/455615161.db2.gz TWDQVORGSCYPOO-ZIAGYGMSSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755951 455615166 /nfs/dbraw/zinc/61/51/66/455615166.db2.gz TWDQVORGSCYPOO-ZIAGYGMSSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292315304 455626892 /nfs/dbraw/zinc/62/68/92/455626892.db2.gz WIQSUHIGBOYNAV-QBTDHISASA-N 2 2 332.463 3.366 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292315304 455626898 /nfs/dbraw/zinc/62/68/98/455626898.db2.gz WIQSUHIGBOYNAV-QBTDHISASA-N 2 2 332.463 3.366 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000247600429 455628937 /nfs/dbraw/zinc/62/89/37/455628937.db2.gz KWUBHCQLJZERPW-MLHJIOFPSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000247600429 455628944 /nfs/dbraw/zinc/62/89/44/455628944.db2.gz KWUBHCQLJZERPW-MLHJIOFPSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000247741210 455641957 /nfs/dbraw/zinc/64/19/57/455641957.db2.gz NRGUOUYHCXDTNM-BSDSXHPESA-N 2 2 346.519 3.023 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000247741210 455641962 /nfs/dbraw/zinc/64/19/62/455641962.db2.gz NRGUOUYHCXDTNM-BSDSXHPESA-N 2 2 346.519 3.023 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)CCCO1 ZINC000277710971 455642088 /nfs/dbraw/zinc/64/20/88/455642088.db2.gz IPTQTMDDCDQFKA-ZDUSSCGKSA-N 2 2 348.459 3.326 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)CCCO1 ZINC000277710971 455642093 /nfs/dbraw/zinc/64/20/93/455642093.db2.gz IPTQTMDDCDQFKA-ZDUSSCGKSA-N 2 2 348.459 3.326 20 0 EGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000247773119 455644807 /nfs/dbraw/zinc/64/48/07/455644807.db2.gz PTLAIELWVFLSBA-VVLHAWIVSA-N 2 2 347.507 3.013 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000247773119 455644815 /nfs/dbraw/zinc/64/48/15/455644815.db2.gz PTLAIELWVFLSBA-VVLHAWIVSA-N 2 2 347.507 3.013 20 0 EGADLP FCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284172454 455646122 /nfs/dbraw/zinc/64/61/22/455646122.db2.gz QUONTWKRSNHYLB-LJQANCHMSA-N 2 2 348.510 3.055 20 0 EGADLP FCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284172454 455646125 /nfs/dbraw/zinc/64/61/25/455646125.db2.gz QUONTWKRSNHYLB-LJQANCHMSA-N 2 2 348.510 3.055 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247973581 455662829 /nfs/dbraw/zinc/66/28/29/455662829.db2.gz HNYGBNGLKWSOFF-BPQIPLTHSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247973581 455662836 /nfs/dbraw/zinc/66/28/36/455662836.db2.gz HNYGBNGLKWSOFF-BPQIPLTHSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247973581 455662839 /nfs/dbraw/zinc/66/28/39/455662839.db2.gz HNYGBNGLKWSOFF-BPQIPLTHSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247973581 455662845 /nfs/dbraw/zinc/66/28/45/455662845.db2.gz HNYGBNGLKWSOFF-BPQIPLTHSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000247977940 455664895 /nfs/dbraw/zinc/66/48/95/455664895.db2.gz LRCFIJVUDYLQQC-OXQOHEQNSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000247977940 455664901 /nfs/dbraw/zinc/66/49/01/455664901.db2.gz LRCFIJVUDYLQQC-OXQOHEQNSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248125181 455684366 /nfs/dbraw/zinc/68/43/66/455684366.db2.gz NVOSYTMOKRKBNL-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248125181 455684373 /nfs/dbraw/zinc/68/43/73/455684373.db2.gz NVOSYTMOKRKBNL-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248125181 455684377 /nfs/dbraw/zinc/68/43/77/455684377.db2.gz NVOSYTMOKRKBNL-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248125181 455684382 /nfs/dbraw/zinc/68/43/82/455684382.db2.gz NVOSYTMOKRKBNL-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617828 455712668 /nfs/dbraw/zinc/71/26/68/455712668.db2.gz MNTODAQWNVUSKL-ZBFHGGJFSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617828 455712674 /nfs/dbraw/zinc/71/26/74/455712674.db2.gz MNTODAQWNVUSKL-ZBFHGGJFSA-N 2 2 334.460 3.243 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268893218 455720526 /nfs/dbraw/zinc/72/05/26/455720526.db2.gz KAGISRHQSYLXIS-SZMVWBNQSA-N 2 2 340.471 3.170 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000268899549 455723747 /nfs/dbraw/zinc/72/37/47/455723747.db2.gz QQEQLKHBYPLXQS-APWZRJJASA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000268899549 455723752 /nfs/dbraw/zinc/72/37/52/455723752.db2.gz QQEQLKHBYPLXQS-APWZRJJASA-N 2 2 325.456 3.090 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000268919432 455730537 /nfs/dbraw/zinc/73/05/37/455730537.db2.gz JRHCVBKQMKJFQN-KXBFYZLASA-N 3 2 344.528 3.269 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268942140 455738028 /nfs/dbraw/zinc/73/80/28/455738028.db2.gz AKPNEVADVTWUSQ-ATZDWAIDSA-N 2 2 328.456 3.264 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268942140 455738032 /nfs/dbraw/zinc/73/80/32/455738032.db2.gz AKPNEVADVTWUSQ-ATZDWAIDSA-N 2 2 328.456 3.264 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950645 455741436 /nfs/dbraw/zinc/74/14/36/455741436.db2.gz VBVIJVJBZLHUID-GJZGRUSLSA-N 2 2 347.503 3.451 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950645 455741440 /nfs/dbraw/zinc/74/14/40/455741440.db2.gz VBVIJVJBZLHUID-GJZGRUSLSA-N 2 2 347.503 3.451 20 0 EGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000268989966 455755210 /nfs/dbraw/zinc/75/52/10/455755210.db2.gz VMJACTWOMVNCEN-UXHICEINSA-N 2 2 340.467 3.414 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269020439 455765023 /nfs/dbraw/zinc/76/50/23/455765023.db2.gz PMBLWUNTZGLHHT-QWHCGFSZSA-N 2 2 335.883 3.220 20 0 EGADLP CS[C@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269056109 455777352 /nfs/dbraw/zinc/77/73/52/455777352.db2.gz ZBTPDSFSXYPGLG-CXAGYDPISA-N 2 2 342.936 3.006 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250289011 455787301 /nfs/dbraw/zinc/78/73/01/455787301.db2.gz OHZHCMLDRHFZLG-MSOLQXFVSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250289011 455787306 /nfs/dbraw/zinc/78/73/06/455787306.db2.gz OHZHCMLDRHFZLG-MSOLQXFVSA-N 2 2 337.552 3.124 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186639744 455810783 /nfs/dbraw/zinc/81/07/83/455810783.db2.gz AIHLSYALJDQTGR-IBGZPJMESA-N 2 2 330.451 3.113 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186875601 455846970 /nfs/dbraw/zinc/84/69/70/455846970.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186875601 455846972 /nfs/dbraw/zinc/84/69/72/455846972.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186875601 455846974 /nfs/dbraw/zinc/84/69/74/455846974.db2.gz SYQWOZWHGTYIPU-DGQTTZFYSA-N 3 2 329.532 3.215 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285592567 455877394 /nfs/dbraw/zinc/87/73/94/455877394.db2.gz PCLYESQVMJEKSO-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285592567 455877398 /nfs/dbraw/zinc/87/73/98/455877398.db2.gz PCLYESQVMJEKSO-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285592567 455877401 /nfs/dbraw/zinc/87/74/01/455877401.db2.gz PCLYESQVMJEKSO-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285592567 455877404 /nfs/dbraw/zinc/87/74/04/455877404.db2.gz PCLYESQVMJEKSO-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP c1cn(CCC[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c[nH+]1 ZINC000272273624 455897670 /nfs/dbraw/zinc/89/76/70/455897670.db2.gz SGYKMEGFFWQLPG-KRWDZBQOSA-N 2 2 342.491 3.319 20 0 EGADLP c1cn(CCC[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c[nH+]1 ZINC000272273624 455897676 /nfs/dbraw/zinc/89/76/76/455897676.db2.gz SGYKMEGFFWQLPG-KRWDZBQOSA-N 2 2 342.491 3.319 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000285710285 455901511 /nfs/dbraw/zinc/90/15/11/455901511.db2.gz PNKFNDRCIPTURA-QGZVFWFLSA-N 2 2 325.456 3.073 20 0 EGADLP C[N@H+](CCCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)C1CCCCC1 ZINC000194971345 455908556 /nfs/dbraw/zinc/90/85/56/455908556.db2.gz ZMYIEKLZWOUHGR-GOSISDBHSA-N 2 2 327.476 3.138 20 0 EGADLP C[N@@H+](CCCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)C1CCCCC1 ZINC000194971345 455908564 /nfs/dbraw/zinc/90/85/64/455908564.db2.gz ZMYIEKLZWOUHGR-GOSISDBHSA-N 2 2 327.476 3.138 20 0 EGADLP CC[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(C(=O)OC)CCC1 ZINC000272343186 455921226 /nfs/dbraw/zinc/92/12/26/455921226.db2.gz CALVMVIZMAQUME-SFHVURJKSA-N 2 2 341.455 3.143 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](COC)C1CCOCC1)c1ccccc1 ZINC000187675349 455937512 /nfs/dbraw/zinc/93/75/12/455937512.db2.gz OFXMBUALUBAGCL-UXHICEINSA-N 2 2 334.504 3.101 20 0 EGADLP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2ccccc2)n1 ZINC000261842144 455957106 /nfs/dbraw/zinc/95/71/06/455957106.db2.gz ZZJAFLKOYJGYMX-VQTJNVASSA-N 2 2 332.451 3.014 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2ccccc2)n1 ZINC000261842144 455957112 /nfs/dbraw/zinc/95/71/12/455957112.db2.gz ZZJAFLKOYJGYMX-VQTJNVASSA-N 2 2 332.451 3.014 20 0 EGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cn1 ZINC000280380264 455960168 /nfs/dbraw/zinc/96/01/68/455960168.db2.gz KZWQPKUXKPSYGH-OCCSQVGLSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cn1 ZINC000280380264 455960170 /nfs/dbraw/zinc/96/01/70/455960170.db2.gz KZWQPKUXKPSYGH-OCCSQVGLSA-N 2 2 326.282 3.369 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000270475870 455963764 /nfs/dbraw/zinc/96/37/64/455963764.db2.gz NSIRTCTZSWJWJJ-UHFFFAOYSA-N 2 2 336.439 3.025 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000270475870 455963769 /nfs/dbraw/zinc/96/37/69/455963769.db2.gz NSIRTCTZSWJWJJ-UHFFFAOYSA-N 2 2 336.439 3.025 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnc(N)s1 ZINC000261932775 455974268 /nfs/dbraw/zinc/97/42/68/455974268.db2.gz CXADPJMRBFVMRS-ZDUSSCGKSA-N 2 2 327.457 3.048 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnc(N)s1 ZINC000261932775 455974273 /nfs/dbraw/zinc/97/42/73/455974273.db2.gz CXADPJMRBFVMRS-ZDUSSCGKSA-N 2 2 327.457 3.048 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@H]1[NH3+] ZINC000262026845 455987664 /nfs/dbraw/zinc/98/76/64/455987664.db2.gz NPRZBOXOADIMNQ-ACJLOTCBSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@H]1[NH3+] ZINC000262026845 455987670 /nfs/dbraw/zinc/98/76/70/455987670.db2.gz NPRZBOXOADIMNQ-ACJLOTCBSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@@H+]1C1CC1 ZINC000623756256 460706700 /nfs/dbraw/zinc/70/67/00/460706700.db2.gz UGHHCHPOWPZENX-YUELXQCFSA-N 2 2 337.870 3.273 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@H+]1C1CC1 ZINC000623756256 460706708 /nfs/dbraw/zinc/70/67/08/460706708.db2.gz UGHHCHPOWPZENX-YUELXQCFSA-N 2 2 337.870 3.273 20 0 EGADLP Cc1cnn(C)c1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000286254684 456009474 /nfs/dbraw/zinc/00/94/74/456009474.db2.gz ARGRYNUQUILXJN-KRWDZBQOSA-N 2 2 326.488 3.482 20 0 EGADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000262310970 456024389 /nfs/dbraw/zinc/02/43/89/456024389.db2.gz PRPLVDNVSVHDLB-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744623 456026625 /nfs/dbraw/zinc/02/66/25/456026625.db2.gz JZLILWIQOSLUAP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744623 456026629 /nfs/dbraw/zinc/02/66/29/456026629.db2.gz JZLILWIQOSLUAP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744623 456026634 /nfs/dbraw/zinc/02/66/34/456026634.db2.gz JZLILWIQOSLUAP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744623 456026637 /nfs/dbraw/zinc/02/66/37/456026637.db2.gz JZLILWIQOSLUAP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000272741946 456057520 /nfs/dbraw/zinc/05/75/20/456057520.db2.gz LEPYMOGBGULCJL-RDTXWAMCSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cs1 ZINC000272741946 456057522 /nfs/dbraw/zinc/05/75/22/456057522.db2.gz LEPYMOGBGULCJL-RDTXWAMCSA-N 2 2 345.512 3.259 20 0 EGADLP C[NH+](C)CC1(CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CCCC1 ZINC000188462374 456068298 /nfs/dbraw/zinc/06/82/98/456068298.db2.gz XNHAUVGMTUQDRQ-QGZVFWFLSA-N 2 2 330.451 3.350 20 0 EGADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000271057266 456115886 /nfs/dbraw/zinc/11/58/86/456115886.db2.gz ZVIIOFHZEOUZCK-INIZCTEOSA-N 2 2 335.835 3.081 20 0 EGADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271057266 456115889 /nfs/dbraw/zinc/11/58/89/456115889.db2.gz ZVIIOFHZEOUZCK-INIZCTEOSA-N 2 2 335.835 3.081 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3F)C[C@H]21 ZINC000228471720 456123783 /nfs/dbraw/zinc/12/37/83/456123783.db2.gz FKDHNUZZVUFWEZ-PSOPSSQASA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3F)C[C@H]21 ZINC000228471720 456123787 /nfs/dbraw/zinc/12/37/87/456123787.db2.gz FKDHNUZZVUFWEZ-PSOPSSQASA-N 2 2 327.241 3.147 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000271134120 456136970 /nfs/dbraw/zinc/13/69/70/456136970.db2.gz MPEVSUFLBFSZGF-KGLIPLIRSA-N 2 2 348.491 3.446 20 0 EGADLP C[C@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1=CC[N@H+](C)CC1 ZINC000273007167 456143234 /nfs/dbraw/zinc/14/32/34/456143234.db2.gz RXAPJALRVPBFIK-HNNXBMFYSA-N 2 2 337.423 3.254 20 0 EGADLP C[C@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1=CC[N@@H+](C)CC1 ZINC000273007167 456143237 /nfs/dbraw/zinc/14/32/37/456143237.db2.gz RXAPJALRVPBFIK-HNNXBMFYSA-N 2 2 337.423 3.254 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cscn3)CC2)c1 ZINC000271191175 456162616 /nfs/dbraw/zinc/16/26/16/456162616.db2.gz XRCJXYWKIPZQRD-QGZVFWFLSA-N 2 2 344.528 3.314 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000333199873 456177628 /nfs/dbraw/zinc/17/76/28/456177628.db2.gz XKHKOFNRHCQYDF-HOCLYGCPSA-N 2 2 345.491 3.031 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1O ZINC000289924808 456183622 /nfs/dbraw/zinc/18/36/22/456183622.db2.gz VHRYGZLHPLLMQW-OAHLLOKOSA-N 2 2 341.455 3.111 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281287630 456190308 /nfs/dbraw/zinc/19/03/08/456190308.db2.gz JBWIJQNYLUFVHV-SJORKVTESA-N 2 2 339.487 3.010 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000281287630 456190311 /nfs/dbraw/zinc/19/03/11/456190311.db2.gz JBWIJQNYLUFVHV-SJORKVTESA-N 2 2 339.487 3.010 20 0 EGADLP C[C@@H]([NH2+]Cc1ncccc1N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966751 456198939 /nfs/dbraw/zinc/19/89/39/456198939.db2.gz XEQFXEKMJMDEPC-MJGOQNOKSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@@H]([NH2+]Cc1ncccc1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966751 456198940 /nfs/dbraw/zinc/19/89/40/456198940.db2.gz XEQFXEKMJMDEPC-MJGOQNOKSA-N 2 2 338.499 3.148 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000297384131 456206093 /nfs/dbraw/zinc/20/60/93/456206093.db2.gz ISAZDQDEETWOCY-IUODEOHRSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000297384131 456206096 /nfs/dbraw/zinc/20/60/96/456206096.db2.gz ISAZDQDEETWOCY-IUODEOHRSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000297384131 456206100 /nfs/dbraw/zinc/20/61/00/456206100.db2.gz ISAZDQDEETWOCY-IUODEOHRSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000297384131 456206104 /nfs/dbraw/zinc/20/61/04/456206104.db2.gz ISAZDQDEETWOCY-IUODEOHRSA-N 2 2 332.517 3.354 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000297480557 456231777 /nfs/dbraw/zinc/23/17/77/456231777.db2.gz ZFNPEYBCYAYGON-RDJZCZTQSA-N 2 2 345.487 3.179 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OCc1ccccc1 ZINC000237184277 456243069 /nfs/dbraw/zinc/24/30/69/456243069.db2.gz MLABGDZBVSAQAE-IBGZPJMESA-N 2 2 340.467 3.458 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OCc1ccccc1 ZINC000237184277 456243075 /nfs/dbraw/zinc/24/30/75/456243075.db2.gz MLABGDZBVSAQAE-IBGZPJMESA-N 2 2 340.467 3.458 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061873 456277657 /nfs/dbraw/zinc/27/76/57/456277657.db2.gz UDINRCUCSRUKIT-HUUCEWRRSA-N 2 2 346.523 3.126 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061873 456277661 /nfs/dbraw/zinc/27/76/61/456277661.db2.gz UDINRCUCSRUKIT-HUUCEWRRSA-N 2 2 346.523 3.126 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352765428 456287601 /nfs/dbraw/zinc/28/76/01/456287601.db2.gz KKJPTPWQRNCFSF-DOTOQJQBSA-N 3 2 338.565 3.195 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000352764844 456287752 /nfs/dbraw/zinc/28/77/52/456287752.db2.gz YEGYPSUMABCRRN-SFHVURJKSA-N 2 2 340.471 3.078 20 0 EGADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc2c(c1)OCCO2 ZINC000352774097 456295391 /nfs/dbraw/zinc/29/53/91/456295391.db2.gz VSIWPDOEMCYQOE-HNNXBMFYSA-N 2 2 347.484 3.217 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ncccc1C(F)(F)F ZINC000290424927 456324991 /nfs/dbraw/zinc/32/49/91/456324991.db2.gz RGGYLJROEFMOOJ-UHFFFAOYSA-N 2 2 339.361 3.405 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244452 456337901 /nfs/dbraw/zinc/33/79/01/456337901.db2.gz AMJWOCWQYIZFDS-WOJBJXKFSA-N 3 2 326.488 3.397 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244452 456337907 /nfs/dbraw/zinc/33/79/07/456337907.db2.gz AMJWOCWQYIZFDS-WOJBJXKFSA-N 3 2 326.488 3.397 20 0 EGADLP CSc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)s1 ZINC000352824495 456339261 /nfs/dbraw/zinc/33/92/61/456339261.db2.gz QVEPWXPPQIGMKN-UHFFFAOYSA-N 2 2 334.514 3.229 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340256669 456345303 /nfs/dbraw/zinc/34/53/03/456345303.db2.gz QFNSJIJTBZJTLI-OKZBNKHCSA-N 2 2 339.487 3.101 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340256669 456345311 /nfs/dbraw/zinc/34/53/11/456345311.db2.gz QFNSJIJTBZJTLI-OKZBNKHCSA-N 2 2 339.487 3.101 20 0 EGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(OC(F)F)c1 ZINC000290516830 456351269 /nfs/dbraw/zinc/35/12/69/456351269.db2.gz PXSNHMWEGQCOSM-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(OC(F)F)c1 ZINC000290516830 456351272 /nfs/dbraw/zinc/35/12/72/456351272.db2.gz PXSNHMWEGQCOSM-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000352837357 456352985 /nfs/dbraw/zinc/35/29/85/456352985.db2.gz ZVHOJJGZSZYHAV-UHFFFAOYSA-N 2 2 327.259 3.436 20 0 EGADLP Cc1ccoc1C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000343072370 456388136 /nfs/dbraw/zinc/38/81/36/456388136.db2.gz OPZDZUCRMVOXKK-UHFFFAOYSA-N 2 2 327.472 3.198 20 0 EGADLP CCOc1cc2[nH+]ccc(N3CCn4c[nH+]cc4C3)c2cc1OCC ZINC000290660797 456397892 /nfs/dbraw/zinc/39/78/92/456397892.db2.gz JMRUAUZBBJAANV-UHFFFAOYSA-N 2 2 338.411 3.249 20 0 EGADLP c1nc(N2CCC(CCC[NH+]3CCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000302850672 456417717 /nfs/dbraw/zinc/41/77/17/456417717.db2.gz PSPNPAQCPZSQGT-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP c1nc(N2CCCC2)cc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000302850672 456417722 /nfs/dbraw/zinc/41/77/22/456417722.db2.gz PSPNPAQCPZSQGT-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164712 456430302 /nfs/dbraw/zinc/43/03/02/456430302.db2.gz UODBUPUNNMXBLX-LSTHTHJFSA-N 2 2 337.467 3.057 20 0 EGADLP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164712 456430306 /nfs/dbraw/zinc/43/03/06/456430306.db2.gz UODBUPUNNMXBLX-LSTHTHJFSA-N 2 2 337.467 3.057 20 0 EGADLP O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164716 456432080 /nfs/dbraw/zinc/43/20/80/456432080.db2.gz UODBUPUNNMXBLX-NSISKUIASA-N 2 2 337.467 3.057 20 0 EGADLP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164716 456432085 /nfs/dbraw/zinc/43/20/85/456432085.db2.gz UODBUPUNNMXBLX-NSISKUIASA-N 2 2 337.467 3.057 20 0 EGADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847800 456445801 /nfs/dbraw/zinc/44/58/01/456445801.db2.gz ZGFVKQXVHMMVSQ-YJBOKZPZSA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847800 456445805 /nfs/dbraw/zinc/44/58/05/456445805.db2.gz ZGFVKQXVHMMVSQ-YJBOKZPZSA-N 2 2 340.895 3.118 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CSC[C@H]3C)c[nH+]c12 ZINC000353031121 456449075 /nfs/dbraw/zinc/44/90/75/456449075.db2.gz BCMYYLXYWZJAOW-ZWNOBZJWSA-N 2 2 340.290 3.246 20 0 EGADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000303482073 456463474 /nfs/dbraw/zinc/46/34/74/456463474.db2.gz JHWVAEZTEZLTPZ-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000303482073 456463479 /nfs/dbraw/zinc/46/34/79/456463479.db2.gz JHWVAEZTEZLTPZ-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455250 456469967 /nfs/dbraw/zinc/46/99/67/456469967.db2.gz LEKMOOBCJMGEBR-GLJUWKHASA-N 2 2 328.435 3.145 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455250 456469969 /nfs/dbraw/zinc/46/99/69/456469969.db2.gz LEKMOOBCJMGEBR-GLJUWKHASA-N 2 2 328.435 3.145 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(F)cn1 ZINC000348090003 456471037 /nfs/dbraw/zinc/47/10/37/456471037.db2.gz UKTZDIGYIQKXNJ-HNNXBMFYSA-N 2 2 343.446 3.328 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(F)cn1 ZINC000348090003 456471042 /nfs/dbraw/zinc/47/10/42/456471042.db2.gz UKTZDIGYIQKXNJ-HNNXBMFYSA-N 2 2 343.446 3.328 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456261 456471081 /nfs/dbraw/zinc/47/10/81/456471081.db2.gz PUCOXPVIFMIUAK-YCPHGPKFSA-N 2 2 328.435 3.287 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456261 456471089 /nfs/dbraw/zinc/47/10/89/456471089.db2.gz PUCOXPVIFMIUAK-YCPHGPKFSA-N 2 2 328.435 3.287 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511043 456500755 /nfs/dbraw/zinc/50/07/55/456500755.db2.gz YGXXZQIGWLGUSD-AEFFLSMTSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000340518711 456506228 /nfs/dbraw/zinc/50/62/28/456506228.db2.gz RPKSUSDIWWYLEW-JUSBFGHESA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C[N@H+]1Cc1ccccc1 ZINC000340518711 456506235 /nfs/dbraw/zinc/50/62/35/456506235.db2.gz RPKSUSDIWWYLEW-JUSBFGHESA-N 2 2 326.484 3.197 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000348220705 456544074 /nfs/dbraw/zinc/54/40/74/456544074.db2.gz CFTUESNVJAOBNI-CVEARBPZSA-N 2 2 330.394 3.396 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)sc1Br ZINC000353247608 456583801 /nfs/dbraw/zinc/58/38/01/456583801.db2.gz JOAYWUKAXFCDDD-SECBINFHSA-N 2 2 326.263 3.189 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)sc1Br ZINC000353247608 456583807 /nfs/dbraw/zinc/58/38/07/456583807.db2.gz JOAYWUKAXFCDDD-SECBINFHSA-N 2 2 326.263 3.189 20 0 EGADLP C/C=C\c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000353251569 456587466 /nfs/dbraw/zinc/58/74/66/456587466.db2.gz VGIBOLRALJSCRS-WAYWQWQTSA-N 2 2 344.503 3.209 20 0 EGADLP C/C=C\c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000353251569 456587471 /nfs/dbraw/zinc/58/74/71/456587471.db2.gz VGIBOLRALJSCRS-WAYWQWQTSA-N 2 2 344.503 3.209 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000348289169 456600945 /nfs/dbraw/zinc/60/09/45/456600945.db2.gz ILXSFBGNBDEAFD-SFHVURJKSA-N 2 2 339.483 3.474 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000348289169 456600952 /nfs/dbraw/zinc/60/09/52/456600952.db2.gz ILXSFBGNBDEAFD-SFHVURJKSA-N 2 2 339.483 3.474 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000348318224 456618348 /nfs/dbraw/zinc/61/83/48/456618348.db2.gz FMCNKKLCONIDIG-HBGVWJBISA-N 2 2 345.531 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000348318224 456618353 /nfs/dbraw/zinc/61/83/53/456618353.db2.gz FMCNKKLCONIDIG-HBGVWJBISA-N 2 2 345.531 3.149 20 0 EGADLP C[C@@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276932105 456623522 /nfs/dbraw/zinc/62/35/22/456623522.db2.gz OKCZWEVHNNGFPM-MCIONIFRSA-N 2 2 325.416 3.242 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000343442259 456623995 /nfs/dbraw/zinc/62/39/95/456623995.db2.gz MQRYIKMDUJDTJI-KDOFPFPSSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000343442259 456624001 /nfs/dbraw/zinc/62/40/01/456624001.db2.gz MQRYIKMDUJDTJI-KDOFPFPSSA-N 2 2 325.412 3.086 20 0 EGADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443077 456637663 /nfs/dbraw/zinc/63/76/63/456637663.db2.gz WFVAISWZBLUCBF-DLBZAZTESA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443077 456637671 /nfs/dbraw/zinc/63/76/71/456637671.db2.gz WFVAISWZBLUCBF-DLBZAZTESA-N 2 2 335.879 3.275 20 0 EGADLP Cc1ccc(-c2ccc(C[N@@H+](C)C3CC[NH+](CCO)CC3)o2)cc1 ZINC000353362004 456647795 /nfs/dbraw/zinc/64/77/95/456647795.db2.gz XDFLFEDGIDQACF-UHFFFAOYSA-N 2 2 328.456 3.144 20 0 EGADLP Cc1ccc(-c2ccc(C[N@H+](C)C3CC[NH+](CCO)CC3)o2)cc1 ZINC000353362004 456647802 /nfs/dbraw/zinc/64/78/02/456647802.db2.gz XDFLFEDGIDQACF-UHFFFAOYSA-N 2 2 328.456 3.144 20 0 EGADLP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085348 456675079 /nfs/dbraw/zinc/67/50/79/456675079.db2.gz FOSNPQYGICMJIL-JSGCOSHPSA-N 2 2 347.532 3.367 20 0 EGADLP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085348 456675082 /nfs/dbraw/zinc/67/50/82/456675082.db2.gz FOSNPQYGICMJIL-JSGCOSHPSA-N 2 2 347.532 3.367 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000282992483 456683974 /nfs/dbraw/zinc/68/39/74/456683974.db2.gz FQWATWDAAWFGNS-PPRPKMEESA-N 2 2 342.483 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000282992483 456683980 /nfs/dbraw/zinc/68/39/80/456683980.db2.gz FQWATWDAAWFGNS-PPRPKMEESA-N 2 2 342.483 3.241 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542003 456695658 /nfs/dbraw/zinc/69/56/58/456695658.db2.gz SZJBXKSSSSOVKI-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542003 456695662 /nfs/dbraw/zinc/69/56/62/456695662.db2.gz SZJBXKSSSSOVKI-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542003 456695668 /nfs/dbraw/zinc/69/56/68/456695668.db2.gz SZJBXKSSSSOVKI-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542003 456695675 /nfs/dbraw/zinc/69/56/75/456695675.db2.gz SZJBXKSSSSOVKI-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338228155 456718180 /nfs/dbraw/zinc/71/81/80/456718180.db2.gz BDIDQTLSCYNRND-MRXNPFEDSA-N 2 2 339.439 3.430 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000353535737 456739640 /nfs/dbraw/zinc/73/96/40/456739640.db2.gz LEEBFEWLMSDNNG-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000353535737 456739646 /nfs/dbraw/zinc/73/96/46/456739646.db2.gz LEEBFEWLMSDNNG-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000277249919 456744602 /nfs/dbraw/zinc/74/46/02/456744602.db2.gz NVYPWSJQCGMEKE-ZIAGYGMSSA-N 2 2 328.464 3.033 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000338296563 456754894 /nfs/dbraw/zinc/75/48/94/456754894.db2.gz NYNMVAVDVUVABI-GRDNDAEWSA-N 2 2 330.501 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000338296563 456754903 /nfs/dbraw/zinc/75/49/03/456754903.db2.gz NYNMVAVDVUVABI-GRDNDAEWSA-N 2 2 330.501 3.408 20 0 EGADLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c2ccc(F)c(F)c2n1 ZINC000277379886 456802301 /nfs/dbraw/zinc/80/23/01/456802301.db2.gz ILNWYBNYHXYPHF-UHFFFAOYSA-N 2 2 348.441 3.259 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338429275 456814764 /nfs/dbraw/zinc/81/47/64/456814764.db2.gz DYYGAJHGJUXJTK-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338429275 456814769 /nfs/dbraw/zinc/81/47/69/456814769.db2.gz DYYGAJHGJUXJTK-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP CC(=O)N1CCC([NH2+]C[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000348695389 456819046 /nfs/dbraw/zinc/81/90/46/456819046.db2.gz JKLXLUSKFDRAIX-NRFANRHFSA-N 2 2 345.531 3.088 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000277420466 456819391 /nfs/dbraw/zinc/81/93/91/456819391.db2.gz APPNGKVBKPKIHZ-DZGCQCFKSA-N 2 2 348.384 3.156 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@H+]1Cc1ccccc1 ZINC000277420466 456819397 /nfs/dbraw/zinc/81/93/97/456819397.db2.gz APPNGKVBKPKIHZ-DZGCQCFKSA-N 2 2 348.384 3.156 20 0 EGADLP CCc1ccc([C@H](C[NH2+]CC2(OC)CCOCC2)[NH+](CC)CC)cc1 ZINC000353667069 456842737 /nfs/dbraw/zinc/84/27/37/456842737.db2.gz RWMRAJRUVTUICJ-FQEVSTJZSA-N 2 2 348.531 3.417 20 0 EGADLP CCc1nc(NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000341359577 456854556 /nfs/dbraw/zinc/85/45/56/456854556.db2.gz RMRBTFATRAMUOS-QGZVFWFLSA-N 2 2 340.471 3.027 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292114061 456859610 /nfs/dbraw/zinc/85/96/10/456859610.db2.gz KJBSOFOJLLSCEJ-QGZVFWFLSA-N 2 2 339.483 3.171 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292114061 456859613 /nfs/dbraw/zinc/85/96/13/456859613.db2.gz KJBSOFOJLLSCEJ-QGZVFWFLSA-N 2 2 339.483 3.171 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C[C@H]1C ZINC000348833971 456876728 /nfs/dbraw/zinc/87/67/28/456876728.db2.gz OSPBCGCESGCIFF-DJIMGWMZSA-N 2 2 342.443 3.106 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@@H+]1C1CC1 ZINC000344975259 456884204 /nfs/dbraw/zinc/88/42/04/456884204.db2.gz QEUHAGLEFKBMAZ-QFBILLFUSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@H+]1C1CC1 ZINC000344975259 456884207 /nfs/dbraw/zinc/88/42/07/456884207.db2.gz QEUHAGLEFKBMAZ-QFBILLFUSA-N 2 2 337.467 3.375 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765977 456896692 /nfs/dbraw/zinc/89/66/92/456896692.db2.gz FRLVNKRXXOPFPA-OXJNMPFZSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765977 456896696 /nfs/dbraw/zinc/89/66/96/456896696.db2.gz FRLVNKRXXOPFPA-OXJNMPFZSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765977 456896698 /nfs/dbraw/zinc/89/66/98/456896698.db2.gz FRLVNKRXXOPFPA-OXJNMPFZSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765977 456896702 /nfs/dbraw/zinc/89/67/02/456896702.db2.gz FRLVNKRXXOPFPA-OXJNMPFZSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766964 456897903 /nfs/dbraw/zinc/89/79/03/456897903.db2.gz JGXNQHHACWKZKG-KXBFYZLASA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766964 456897905 /nfs/dbraw/zinc/89/79/05/456897905.db2.gz JGXNQHHACWKZKG-KXBFYZLASA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766964 456897911 /nfs/dbraw/zinc/89/79/11/456897911.db2.gz JGXNQHHACWKZKG-KXBFYZLASA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766964 456897915 /nfs/dbraw/zinc/89/79/15/456897915.db2.gz JGXNQHHACWKZKG-KXBFYZLASA-N 2 2 330.451 3.316 20 0 EGADLP CC(C)CCOc1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000353903628 456959279 /nfs/dbraw/zinc/95/92/79/456959279.db2.gz WSFDHZXVEBRTJT-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1nn(C)cc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349405482 456963404 /nfs/dbraw/zinc/96/34/04/456963404.db2.gz JIPMNXOIOOFZOO-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Cc1nn(C)cc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349405482 456963407 /nfs/dbraw/zinc/96/34/07/456963407.db2.gz JIPMNXOIOOFZOO-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Cc1ccoc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000354010049 457005505 /nfs/dbraw/zinc/00/55/05/457005505.db2.gz MDFIFPZURZTFEB-UHFFFAOYSA-N 3 2 333.520 3.216 20 0 EGADLP Cc1ccoc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000354010049 457005510 /nfs/dbraw/zinc/00/55/10/457005510.db2.gz MDFIFPZURZTFEB-UHFFFAOYSA-N 3 2 333.520 3.216 20 0 EGADLP CCOCc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000354032575 457022449 /nfs/dbraw/zinc/02/24/49/457022449.db2.gz BZQBKDKJFDKEFO-IBGZPJMESA-N 2 2 342.439 3.280 20 0 EGADLP CCOCc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000354032575 457022455 /nfs/dbraw/zinc/02/24/55/457022455.db2.gz BZQBKDKJFDKEFO-IBGZPJMESA-N 2 2 342.439 3.280 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nnc(C(C)C)o3)C1)CCCC2 ZINC000330349996 457032307 /nfs/dbraw/zinc/03/23/07/457032307.db2.gz KOMTUVLHSOOQRO-CQSZACIVSA-N 2 2 329.448 3.024 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nnc(C(C)C)o3)C1)CCCC2 ZINC000330349996 457032311 /nfs/dbraw/zinc/03/23/11/457032311.db2.gz KOMTUVLHSOOQRO-CQSZACIVSA-N 2 2 329.448 3.024 20 0 EGADLP Cn1ncc(Cl)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356524201 457035258 /nfs/dbraw/zinc/03/52/58/457035258.db2.gz KKOMYFOPUHZEBU-SJORKVTESA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356524201 457035261 /nfs/dbraw/zinc/03/52/61/457035261.db2.gz KKOMYFOPUHZEBU-SJORKVTESA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356524201 457035265 /nfs/dbraw/zinc/03/52/65/457035265.db2.gz KKOMYFOPUHZEBU-SJORKVTESA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356524201 457035270 /nfs/dbraw/zinc/03/52/70/457035270.db2.gz KKOMYFOPUHZEBU-SJORKVTESA-N 2 2 344.890 3.027 20 0 EGADLP Cc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1Oc1cc[nH+]cc1 ZINC000342014522 457060235 /nfs/dbraw/zinc/06/02/35/457060235.db2.gz RFVWRZWEHRTZHV-UHFFFAOYSA-N 2 2 339.439 3.396 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356578946 457065878 /nfs/dbraw/zinc/06/58/78/457065878.db2.gz PBZKBIGYQIXVRB-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356578946 457065882 /nfs/dbraw/zinc/06/58/82/457065882.db2.gz PBZKBIGYQIXVRB-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356578946 457065884 /nfs/dbraw/zinc/06/58/84/457065884.db2.gz PBZKBIGYQIXVRB-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356578946 457065887 /nfs/dbraw/zinc/06/58/87/457065887.db2.gz PBZKBIGYQIXVRB-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000354109253 457068286 /nfs/dbraw/zinc/06/82/86/457068286.db2.gz JOCVTSIKYVIABQ-PZJWPPBQSA-N 2 2 344.499 3.187 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000359468363 457087017 /nfs/dbraw/zinc/08/70/17/457087017.db2.gz VNVOYUMWXNYULN-FGTMMUONSA-N 2 2 343.519 3.309 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000359468363 457087023 /nfs/dbraw/zinc/08/70/23/457087023.db2.gz VNVOYUMWXNYULN-FGTMMUONSA-N 2 2 343.519 3.309 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000359524456 457091465 /nfs/dbraw/zinc/09/14/65/457091465.db2.gz KUKSPJMQVQWDOM-MJGOQNOKSA-N 2 2 332.488 3.155 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359524456 457091467 /nfs/dbraw/zinc/09/14/67/457091467.db2.gz KUKSPJMQVQWDOM-MJGOQNOKSA-N 2 2 332.488 3.155 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346693131 457115207 /nfs/dbraw/zinc/11/52/07/457115207.db2.gz KXGJALMFSLXFBT-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346693131 457115208 /nfs/dbraw/zinc/11/52/08/457115208.db2.gz KXGJALMFSLXFBT-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346698064 457117179 /nfs/dbraw/zinc/11/71/79/457117179.db2.gz JAUBFRAKWPZRHF-NUJGCVRESA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346698064 457117183 /nfs/dbraw/zinc/11/71/83/457117183.db2.gz JAUBFRAKWPZRHF-NUJGCVRESA-N 2 2 332.488 3.359 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439280 457119172 /nfs/dbraw/zinc/11/91/72/457119172.db2.gz SXTCBIBZEMBGPS-GUYCJALGSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439280 457119182 /nfs/dbraw/zinc/11/91/82/457119182.db2.gz SXTCBIBZEMBGPS-GUYCJALGSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339439280 457119187 /nfs/dbraw/zinc/11/91/87/457119187.db2.gz SXTCBIBZEMBGPS-GUYCJALGSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339439280 457119192 /nfs/dbraw/zinc/11/91/92/457119192.db2.gz SXTCBIBZEMBGPS-GUYCJALGSA-N 2 2 332.473 3.277 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439343 457119748 /nfs/dbraw/zinc/11/97/48/457119748.db2.gz UHTTZRXRJSYCPD-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439343 457119751 /nfs/dbraw/zinc/11/97/51/457119751.db2.gz UHTTZRXRJSYCPD-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439343 457119753 /nfs/dbraw/zinc/11/97/53/457119753.db2.gz UHTTZRXRJSYCPD-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439343 457119756 /nfs/dbraw/zinc/11/97/56/457119756.db2.gz UHTTZRXRJSYCPD-HXUWFJFHSA-N 2 2 338.455 3.187 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@H](C)[C@H]1OC ZINC000356691885 457120587 /nfs/dbraw/zinc/12/05/87/457120587.db2.gz GVADZLIUHPBHPT-PWIZWCRZSA-N 2 2 345.531 3.475 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219776 457137728 /nfs/dbraw/zinc/13/77/28/457137728.db2.gz DICVXNTWQPQUMK-ZWKOTPCHSA-N 2 2 331.504 3.355 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219776 457137733 /nfs/dbraw/zinc/13/77/33/457137733.db2.gz DICVXNTWQPQUMK-ZWKOTPCHSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219776 457137739 /nfs/dbraw/zinc/13/77/39/457137739.db2.gz DICVXNTWQPQUMK-ZWKOTPCHSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219776 457137744 /nfs/dbraw/zinc/13/77/44/457137744.db2.gz DICVXNTWQPQUMK-ZWKOTPCHSA-N 2 2 331.504 3.355 20 0 EGADLP COc1ccc(C2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000346737106 457138998 /nfs/dbraw/zinc/13/89/98/457138998.db2.gz BVFNBKIPXRTNGT-UHFFFAOYSA-N 2 2 337.467 3.334 20 0 EGADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC(C)(C)C1 ZINC000356795193 457170436 /nfs/dbraw/zinc/17/04/36/457170436.db2.gz XOWAGKFQNSYOKG-FGTMMUONSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC(C)(C)C1 ZINC000356795193 457170440 /nfs/dbraw/zinc/17/04/40/457170440.db2.gz XOWAGKFQNSYOKG-FGTMMUONSA-N 2 2 349.563 3.076 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609285 457172182 /nfs/dbraw/zinc/17/21/82/457172182.db2.gz SNKNDMFUSYJHKO-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609285 457172185 /nfs/dbraw/zinc/17/21/85/457172185.db2.gz SNKNDMFUSYJHKO-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609285 457172188 /nfs/dbraw/zinc/17/21/88/457172188.db2.gz SNKNDMFUSYJHKO-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609285 457172191 /nfs/dbraw/zinc/17/21/91/457172191.db2.gz SNKNDMFUSYJHKO-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP Fc1ccc(C2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000346797880 457176600 /nfs/dbraw/zinc/17/66/00/457176600.db2.gz NQCMFHUXQYXPNP-UHFFFAOYSA-N 2 2 325.431 3.464 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000356845112 457182272 /nfs/dbraw/zinc/18/22/72/457182272.db2.gz IFSXLZIOHSZCQX-KFKAGJAMSA-N 2 2 331.504 3.063 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2CC[NH+](C3CCC3)CC2)CC1 ZINC000356909733 457212470 /nfs/dbraw/zinc/21/24/70/457212470.db2.gz YPZAKVSEOVXLHW-UHFFFAOYSA-N 3 2 333.442 3.010 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@H](CO)c3ccccc3Cl)c[nH+]c12 ZINC000342289209 457215662 /nfs/dbraw/zinc/21/56/62/457215662.db2.gz LTIKLDZDWYWYRC-AWEZNQCLSA-N 2 2 329.831 3.162 20 0 EGADLP c1cnc(Oc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)cn1 ZINC000347084435 457222061 /nfs/dbraw/zinc/22/20/61/457222061.db2.gz AHWHUQHCIXAGFW-UHFFFAOYSA-N 2 2 338.455 3.233 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC4(CCOCC4)[C@H]3C3CC3)c2)c[nH+]1 ZINC000354440369 457222932 /nfs/dbraw/zinc/22/29/32/457222932.db2.gz XINCBEVLWBPYKS-QGZVFWFLSA-N 2 2 329.469 3.325 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC4(CCOCC4)[C@H]3C3CC3)c2)c[nH+]1 ZINC000354440369 457222936 /nfs/dbraw/zinc/22/29/36/457222936.db2.gz XINCBEVLWBPYKS-QGZVFWFLSA-N 2 2 329.469 3.325 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(Br)cc2SC)C1 ZINC000347091510 457224469 /nfs/dbraw/zinc/22/44/69/457224469.db2.gz FXYFFTHKJHHIHD-LLVKDONJSA-N 2 2 329.307 3.212 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2SC)C1 ZINC000347091510 457224474 /nfs/dbraw/zinc/22/44/74/457224474.db2.gz FXYFFTHKJHHIHD-LLVKDONJSA-N 2 2 329.307 3.212 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000347097416 457227588 /nfs/dbraw/zinc/22/75/88/457227588.db2.gz IKBCVUZCIIELEL-ZFWWWQNUSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000347097416 457227590 /nfs/dbraw/zinc/22/75/90/457227590.db2.gz IKBCVUZCIIELEL-ZFWWWQNUSA-N 2 2 331.485 3.378 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354515498 457266919 /nfs/dbraw/zinc/26/69/19/457266919.db2.gz SUEMKAKJAKBCIB-FFGOWVMKSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354515498 457266924 /nfs/dbraw/zinc/26/69/24/457266924.db2.gz SUEMKAKJAKBCIB-FFGOWVMKSA-N 2 2 344.499 3.218 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379503 457271298 /nfs/dbraw/zinc/27/12/98/457271298.db2.gz COFPQCXIRQTVBL-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379503 457271303 /nfs/dbraw/zinc/27/13/03/457271303.db2.gz COFPQCXIRQTVBL-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379503 457271309 /nfs/dbraw/zinc/27/13/09/457271309.db2.gz COFPQCXIRQTVBL-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379503 457271312 /nfs/dbraw/zinc/27/13/12/457271312.db2.gz COFPQCXIRQTVBL-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP C[C@H]1C[NH+](CCCCNc2[nH+]ccc3ccc(F)cc32)C[C@H](C)O1 ZINC000354534068 457274896 /nfs/dbraw/zinc/27/48/96/457274896.db2.gz GMTHRIFDWGXWLK-GJZGRUSLSA-N 2 2 331.435 3.097 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000354546050 457281931 /nfs/dbraw/zinc/28/19/31/457281931.db2.gz IQNXMEQVIDUCTC-UHFFFAOYSA-N 2 2 331.423 3.161 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000339833092 457299876 /nfs/dbraw/zinc/29/98/76/457299876.db2.gz NPIJRKIINVVKOS-UHFFFAOYSA-N 2 2 345.874 3.370 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845819 457307582 /nfs/dbraw/zinc/30/75/82/457307582.db2.gz JISGDVQVCXPTLE-STQMWFEESA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845819 457307586 /nfs/dbraw/zinc/30/75/86/457307586.db2.gz JISGDVQVCXPTLE-STQMWFEESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000339845819 457307591 /nfs/dbraw/zinc/30/75/91/457307591.db2.gz JISGDVQVCXPTLE-STQMWFEESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000339845819 457307596 /nfs/dbraw/zinc/30/75/96/457307596.db2.gz JISGDVQVCXPTLE-STQMWFEESA-N 2 2 329.307 3.427 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213353 457348717 /nfs/dbraw/zinc/34/87/17/457348717.db2.gz QIOLMGNYVDKIQQ-GJZGRUSLSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213353 457348723 /nfs/dbraw/zinc/34/87/23/457348723.db2.gz QIOLMGNYVDKIQQ-GJZGRUSLSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213353 457348726 /nfs/dbraw/zinc/34/87/26/457348726.db2.gz QIOLMGNYVDKIQQ-GJZGRUSLSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213353 457348732 /nfs/dbraw/zinc/34/87/32/457348732.db2.gz QIOLMGNYVDKIQQ-GJZGRUSLSA-N 2 2 347.532 3.139 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442179 457370810 /nfs/dbraw/zinc/37/08/10/457370810.db2.gz LOHFZQNPDSACDQ-YOEHRIQHSA-N 2 2 334.414 3.073 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442179 457370812 /nfs/dbraw/zinc/37/08/12/457370812.db2.gz LOHFZQNPDSACDQ-YOEHRIQHSA-N 2 2 334.414 3.073 20 0 EGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Br)cn1 ZINC000355518931 457383565 /nfs/dbraw/zinc/38/35/65/457383565.db2.gz UGHRNFNRESMNQA-NSHDSACASA-N 2 2 331.217 3.343 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000352526803 457440606 /nfs/dbraw/zinc/44/06/06/457440606.db2.gz RXESWUSLJTURLS-SFHVURJKSA-N 2 2 336.863 3.077 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000352526803 457440614 /nfs/dbraw/zinc/44/06/14/457440614.db2.gz RXESWUSLJTURLS-SFHVURJKSA-N 2 2 336.863 3.077 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352535667 457446240 /nfs/dbraw/zinc/44/62/40/457446240.db2.gz UCXCPEYUZIBPBW-ZDUSSCGKSA-N 2 2 340.393 3.295 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352535667 457446243 /nfs/dbraw/zinc/44/62/43/457446243.db2.gz UCXCPEYUZIBPBW-ZDUSSCGKSA-N 2 2 340.393 3.295 20 0 EGADLP Fc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ncc[nH]2)cc1 ZINC000363867780 457457860 /nfs/dbraw/zinc/45/78/60/457457860.db2.gz SURVPTCVUXXIIC-SFHVURJKSA-N 2 2 339.418 3.003 20 0 EGADLP COc1ccc(F)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000360956182 457464153 /nfs/dbraw/zinc/46/41/53/457464153.db2.gz TUKRPDFJABLLHO-UHFFFAOYSA-N 2 2 329.350 3.449 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000363950257 457466328 /nfs/dbraw/zinc/46/63/28/457466328.db2.gz CYKWPEYYHMAYIY-VDZJLULYSA-N 2 2 332.488 3.378 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000363950257 457466333 /nfs/dbraw/zinc/46/63/33/457466333.db2.gz CYKWPEYYHMAYIY-VDZJLULYSA-N 2 2 332.488 3.378 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@H]2C)CC1 ZINC000360965430 457471496 /nfs/dbraw/zinc/47/14/96/457471496.db2.gz GLHOYWTXUFRFSI-IIBYNOLFSA-N 2 2 344.499 3.317 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000360981457 457486664 /nfs/dbraw/zinc/48/66/64/457486664.db2.gz LOXZRMUTFDIARM-GJZGRUSLSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000360981457 457486667 /nfs/dbraw/zinc/48/66/67/457486667.db2.gz LOXZRMUTFDIARM-GJZGRUSLSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000360981458 457486691 /nfs/dbraw/zinc/48/66/91/457486691.db2.gz LOXZRMUTFDIARM-HUUCEWRRSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000360981458 457486699 /nfs/dbraw/zinc/48/66/99/457486699.db2.gz LOXZRMUTFDIARM-HUUCEWRRSA-N 2 2 342.439 3.306 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cn2)c[nH+]1 ZINC000374233405 457536374 /nfs/dbraw/zinc/53/63/74/457536374.db2.gz ZZMPQRQZGKVVPV-HNNXBMFYSA-N 2 2 329.407 3.006 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)s1 ZINC000352705186 457544640 /nfs/dbraw/zinc/54/46/40/457544640.db2.gz LDDMTZJMTVHHDA-UHFFFAOYSA-N 2 2 349.475 3.139 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)n21 ZINC000342839005 457551072 /nfs/dbraw/zinc/55/10/72/457551072.db2.gz FTWHMTPEHCTCBI-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](C)[C@H](Cc4ccccc4)C3)n21 ZINC000342839005 457551079 /nfs/dbraw/zinc/55/10/79/457551079.db2.gz FTWHMTPEHCTCBI-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)CC(=O)NCc1ccc(F)cc1 ZINC000347619007 457553034 /nfs/dbraw/zinc/55/30/34/457553034.db2.gz WGHZKAUBKSLDQY-UHFFFAOYSA-N 2 2 343.446 3.100 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)CC(=O)NCc1ccc(F)cc1 ZINC000347619007 457553049 /nfs/dbraw/zinc/55/30/49/457553049.db2.gz WGHZKAUBKSLDQY-UHFFFAOYSA-N 2 2 343.446 3.100 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000342862768 457563843 /nfs/dbraw/zinc/56/38/43/457563843.db2.gz CSWIJUKZVUKQBC-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000342862768 457563851 /nfs/dbraw/zinc/56/38/51/457563851.db2.gz CSWIJUKZVUKQBC-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)nc2c1 ZINC000361157308 457620572 /nfs/dbraw/zinc/62/05/72/457620572.db2.gz VVZDRFWDSHUVNO-FXAWDEMLSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)nc2c1 ZINC000361157308 457620577 /nfs/dbraw/zinc/62/05/77/457620577.db2.gz VVZDRFWDSHUVNO-FXAWDEMLSA-N 2 2 349.482 3.038 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000425931424 457654723 /nfs/dbraw/zinc/65/47/23/457654723.db2.gz LSDJYHUFHVTCLP-PMACEKPBSA-N 2 2 336.479 3.417 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000425931424 457654728 /nfs/dbraw/zinc/65/47/28/457654728.db2.gz LSDJYHUFHVTCLP-PMACEKPBSA-N 2 2 336.479 3.417 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C[C@H]21 ZINC000374593016 457667954 /nfs/dbraw/zinc/66/79/54/457667954.db2.gz ICVTZLLICGBYCC-KFKAGJAMSA-N 2 2 337.423 3.073 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C[C@H]21 ZINC000374593013 457668118 /nfs/dbraw/zinc/66/81/18/457668118.db2.gz ICVTZLLICGBYCC-ATZDWAIDSA-N 2 2 337.423 3.073 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)F ZINC000370632486 457687098 /nfs/dbraw/zinc/68/70/98/457687098.db2.gz BDQSWZLLFPLMKD-FMKPAKJESA-N 2 2 340.414 3.192 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@@H+]1C1CC1 ZINC000357843515 457709153 /nfs/dbraw/zinc/70/91/53/457709153.db2.gz CRCGPAFTZPSONN-TZMCWYRMSA-N 2 2 343.393 3.084 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1 ZINC000357843515 457709158 /nfs/dbraw/zinc/70/91/58/457709158.db2.gz CRCGPAFTZPSONN-TZMCWYRMSA-N 2 2 343.393 3.084 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000358021334 457741829 /nfs/dbraw/zinc/74/18/29/457741829.db2.gz NKHTUCJRNOWLAH-AHRSYUTCSA-N 2 2 337.467 3.439 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021334 457741834 /nfs/dbraw/zinc/74/18/34/457741834.db2.gz NKHTUCJRNOWLAH-AHRSYUTCSA-N 2 2 337.467 3.439 20 0 EGADLP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(OCCC)c1 ZINC000425971841 457751104 /nfs/dbraw/zinc/75/11/04/457751104.db2.gz SPYBUPGDFISLOW-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(OCCC)c1 ZINC000425971841 457751113 /nfs/dbraw/zinc/75/11/13/457751113.db2.gz SPYBUPGDFISLOW-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(OCCC)c1 ZINC000425971841 457751122 /nfs/dbraw/zinc/75/11/22/457751122.db2.gz SPYBUPGDFISLOW-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(OCCC)c1 ZINC000425971841 457751127 /nfs/dbraw/zinc/75/11/27/457751127.db2.gz SPYBUPGDFISLOW-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)oc2c1 ZINC000426035938 457763826 /nfs/dbraw/zinc/76/38/26/457763826.db2.gz OGCCIDVVOSPJQH-WMZOPIPTSA-N 2 2 330.472 3.485 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000426332179 457806274 /nfs/dbraw/zinc/80/62/74/457806274.db2.gz QNDLRTQXDCXVNK-CQSZACIVSA-N 2 2 328.909 3.479 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160637 457825325 /nfs/dbraw/zinc/82/53/25/457825325.db2.gz SXEZNXRCVXBYPS-IUODEOHRSA-N 2 2 334.414 3.046 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160637 457825330 /nfs/dbraw/zinc/82/53/30/457825330.db2.gz SXEZNXRCVXBYPS-IUODEOHRSA-N 2 2 334.414 3.046 20 0 EGADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295677 457852977 /nfs/dbraw/zinc/85/29/77/457852977.db2.gz QZQTXKMQUKLYKR-QZMQVMSPSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295677 457852983 /nfs/dbraw/zinc/85/29/83/457852983.db2.gz QZQTXKMQUKLYKR-QZMQVMSPSA-N 2 2 334.529 3.014 20 0 EGADLP CC(C)(C)Oc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000358247887 457886332 /nfs/dbraw/zinc/88/63/32/457886332.db2.gz LQESHJYFCVKWMY-UHFFFAOYSA-N 2 2 340.471 3.413 20 0 EGADLP CCCC(=CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CCC ZINC000371404974 457912706 /nfs/dbraw/zinc/91/27/06/457912706.db2.gz ATUYSYQJIDCZGY-IBGZPJMESA-N 2 2 335.536 3.140 20 0 EGADLP CCCC(=CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CCC ZINC000371404974 457912712 /nfs/dbraw/zinc/91/27/12/457912712.db2.gz ATUYSYQJIDCZGY-IBGZPJMESA-N 2 2 335.536 3.140 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000361860983 457913706 /nfs/dbraw/zinc/91/37/06/457913706.db2.gz SWXJGKHRJRBROA-KRWDZBQOSA-N 2 2 348.450 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000361860983 457913717 /nfs/dbraw/zinc/91/37/17/457913717.db2.gz SWXJGKHRJRBROA-KRWDZBQOSA-N 2 2 348.450 3.229 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000358301502 457919960 /nfs/dbraw/zinc/91/99/60/457919960.db2.gz PUROUGQNOGVVOZ-GOEBONIOSA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000358301502 457919962 /nfs/dbraw/zinc/91/99/62/457919962.db2.gz PUROUGQNOGVVOZ-GOEBONIOSA-N 2 2 337.533 3.247 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427103794 457944014 /nfs/dbraw/zinc/94/40/14/457944014.db2.gz ZBLJGVSOCOZCCO-KBXCAEBGSA-N 2 2 330.863 3.018 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427103794 457944019 /nfs/dbraw/zinc/94/40/19/457944019.db2.gz ZBLJGVSOCOZCCO-KBXCAEBGSA-N 2 2 330.863 3.018 20 0 EGADLP CCCCCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427136272 457948575 /nfs/dbraw/zinc/94/85/75/457948575.db2.gz MZJFOCDJEQBRCH-QZTJIDSGSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427136272 457948583 /nfs/dbraw/zinc/94/85/83/457948583.db2.gz MZJFOCDJEQBRCH-QZTJIDSGSA-N 2 2 332.488 3.448 20 0 EGADLP C[N@H+](CC(=O)N(c1ccccc1)C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000358370356 457960509 /nfs/dbraw/zinc/96/05/09/457960509.db2.gz PELSZBLHMSTORT-GOSISDBHSA-N 2 2 343.515 3.426 20 0 EGADLP C[N@@H+](CC(=O)N(c1ccccc1)C1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000358370356 457960517 /nfs/dbraw/zinc/96/05/17/457960517.db2.gz PELSZBLHMSTORT-GOSISDBHSA-N 2 2 343.515 3.426 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599170 457965790 /nfs/dbraw/zinc/96/57/90/457965790.db2.gz UKKIUDMPYZEFCN-FUHWJXTLSA-N 2 2 334.508 3.122 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599170 457965794 /nfs/dbraw/zinc/96/57/94/457965794.db2.gz UKKIUDMPYZEFCN-FUHWJXTLSA-N 2 2 334.508 3.122 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000427855654 458045337 /nfs/dbraw/zinc/04/53/37/458045337.db2.gz LIQCPOQFEFGKKN-OCCSQVGLSA-N 2 2 339.361 3.490 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N(CC(C)C)C3CC[NH+](C)CC3)cc2n1C ZINC000362251394 458055161 /nfs/dbraw/zinc/05/51/61/458055161.db2.gz RFHCTKZDSLDOIJ-UHFFFAOYSA-N 2 2 342.487 3.074 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000368935529 458067771 /nfs/dbraw/zinc/06/77/71/458067771.db2.gz ZXDZNMXILNETAV-UWVAXJGDSA-N 2 2 349.950 3.401 20 0 EGADLP C[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000368935529 458067775 /nfs/dbraw/zinc/06/77/75/458067775.db2.gz ZXDZNMXILNETAV-UWVAXJGDSA-N 2 2 349.950 3.401 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037530 458070142 /nfs/dbraw/zinc/07/01/42/458070142.db2.gz ZCFHHCHTHFVXGM-FXAWDEMLSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037530 458070145 /nfs/dbraw/zinc/07/01/45/458070145.db2.gz ZCFHHCHTHFVXGM-FXAWDEMLSA-N 2 2 347.547 3.164 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035757 458070208 /nfs/dbraw/zinc/07/02/08/458070208.db2.gz QCVUKLPOPLMUGB-GOEBONIOSA-N 2 2 331.847 3.487 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035757 458070209 /nfs/dbraw/zinc/07/02/09/458070209.db2.gz QCVUKLPOPLMUGB-GOEBONIOSA-N 2 2 331.847 3.487 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1C ZINC000362297760 458090210 /nfs/dbraw/zinc/09/02/10/458090210.db2.gz FDMHRMUFJJBXLR-UHFFFAOYSA-N 2 2 335.455 3.257 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1C ZINC000362297760 458090215 /nfs/dbraw/zinc/09/02/15/458090215.db2.gz FDMHRMUFJJBXLR-UHFFFAOYSA-N 2 2 335.455 3.257 20 0 EGADLP CCc1ncc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000435370518 458122735 /nfs/dbraw/zinc/12/27/35/458122735.db2.gz IZGUTEUEAAVDBI-INIZCTEOSA-N 2 2 330.501 3.245 20 0 EGADLP CCc1ncc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000435370518 458122740 /nfs/dbraw/zinc/12/27/40/458122740.db2.gz IZGUTEUEAAVDBI-INIZCTEOSA-N 2 2 330.501 3.245 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435375376 458124686 /nfs/dbraw/zinc/12/46/86/458124686.db2.gz UQGMCZSSSSAUCX-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435375376 458124691 /nfs/dbraw/zinc/12/46/91/458124691.db2.gz UQGMCZSSSSAUCX-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+](C3CC3)[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000435386982 458132560 /nfs/dbraw/zinc/13/25/60/458132560.db2.gz ZQVULATUIQBNEI-GOSISDBHSA-N 2 2 343.496 3.357 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+](C3CC3)[C@@H]3CC[NH2+]C3)cc2)cs1 ZINC000435386982 458132565 /nfs/dbraw/zinc/13/25/65/458132565.db2.gz ZQVULATUIQBNEI-GOSISDBHSA-N 2 2 343.496 3.357 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)CCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435554752 458160665 /nfs/dbraw/zinc/16/06/65/458160665.db2.gz AQZLIOUSSCKQDV-INIZCTEOSA-N 2 2 346.519 3.200 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000369378190 458195979 /nfs/dbraw/zinc/19/59/79/458195979.db2.gz QSYZHEKFJKIOQG-HZPDHXFCSA-N 2 2 344.890 3.457 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000369378190 458195985 /nfs/dbraw/zinc/19/59/85/458195985.db2.gz QSYZHEKFJKIOQG-HZPDHXFCSA-N 2 2 344.890 3.457 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000372168886 458217208 /nfs/dbraw/zinc/21/72/08/458217208.db2.gz BRRGAGXBBNWKNF-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000372168886 458217216 /nfs/dbraw/zinc/21/72/16/458217216.db2.gz BRRGAGXBBNWKNF-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372168886 458217218 /nfs/dbraw/zinc/21/72/18/458217218.db2.gz BRRGAGXBBNWKNF-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000372168886 458217224 /nfs/dbraw/zinc/21/72/24/458217224.db2.gz BRRGAGXBBNWKNF-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831244 458232428 /nfs/dbraw/zinc/23/24/28/458232428.db2.gz BZQCEOYUPHQTBN-VQTJNVASSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831244 458232435 /nfs/dbraw/zinc/23/24/35/458232435.db2.gz BZQCEOYUPHQTBN-VQTJNVASSA-N 2 2 343.515 3.156 20 0 EGADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C[C@H](C)O1 ZINC000372372422 458294114 /nfs/dbraw/zinc/29/41/14/458294114.db2.gz GMDYTZYMTOSARE-HOTGVXAUSA-N 2 2 347.503 3.263 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000447432639 458296709 /nfs/dbraw/zinc/29/67/09/458296709.db2.gz WMKCWYHOSPUNOQ-UHFFFAOYSA-N 2 2 344.415 3.387 20 0 EGADLP CN1C[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)Cc2ccccc21 ZINC000436379747 458297309 /nfs/dbraw/zinc/29/73/09/458297309.db2.gz RVNVOCZOLQLDBZ-OAHLLOKOSA-N 2 2 338.480 3.332 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538116 458307653 /nfs/dbraw/zinc/30/76/53/458307653.db2.gz ASUCDLQMMRGMMW-UZLBHIALSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538116 458307654 /nfs/dbraw/zinc/30/76/54/458307654.db2.gz ASUCDLQMMRGMMW-UZLBHIALSA-N 2 2 328.456 3.184 20 0 EGADLP CCCCC[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369726078 458326830 /nfs/dbraw/zinc/32/68/30/458326830.db2.gz CYDWBEFLQPJKAZ-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369726078 458326833 /nfs/dbraw/zinc/32/68/33/458326833.db2.gz CYDWBEFLQPJKAZ-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000448020633 458380390 /nfs/dbraw/zinc/38/03/90/458380390.db2.gz DAGUHTUXBDQJMO-DNVCBOLYSA-N 2 2 334.504 3.345 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC000448020633 458380396 /nfs/dbraw/zinc/38/03/96/458380396.db2.gz DAGUHTUXBDQJMO-DNVCBOLYSA-N 2 2 334.504 3.345 20 0 EGADLP FC(F)(F)Oc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376757303 458385456 /nfs/dbraw/zinc/38/54/56/458385456.db2.gz HMNZVYZQMCKPEC-UHFFFAOYSA-N 2 2 325.334 3.408 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459479321 458386021 /nfs/dbraw/zinc/38/60/21/458386021.db2.gz LSCMTTSIDDDFOD-MRXNPFEDSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459479321 458386027 /nfs/dbraw/zinc/38/60/27/458386027.db2.gz LSCMTTSIDDDFOD-MRXNPFEDSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459479321 458386032 /nfs/dbraw/zinc/38/60/32/458386032.db2.gz LSCMTTSIDDDFOD-MRXNPFEDSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459479321 458386036 /nfs/dbraw/zinc/38/60/36/458386036.db2.gz LSCMTTSIDDDFOD-MRXNPFEDSA-N 2 2 329.835 3.329 20 0 EGADLP CCCOc1c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1OCC ZINC000430120829 458406034 /nfs/dbraw/zinc/40/60/34/458406034.db2.gz KRSOHRDQTFJFKZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1OCC ZINC000430120829 458406040 /nfs/dbraw/zinc/40/60/40/458406040.db2.gz KRSOHRDQTFJFKZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1OCC ZINC000430120829 458406045 /nfs/dbraw/zinc/40/60/45/458406045.db2.gz KRSOHRDQTFJFKZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1OCC ZINC000430120829 458406051 /nfs/dbraw/zinc/40/60/51/458406051.db2.gz KRSOHRDQTFJFKZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000373233580 458439768 /nfs/dbraw/zinc/43/97/68/458439768.db2.gz WLIIQLHTERJATD-AWEZNQCLSA-N 2 2 349.862 3.470 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000373233580 458439774 /nfs/dbraw/zinc/43/97/74/458439774.db2.gz WLIIQLHTERJATD-AWEZNQCLSA-N 2 2 349.862 3.470 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423523037 458451519 /nfs/dbraw/zinc/45/15/19/458451519.db2.gz MVJJQFXVQHMIDV-BBRMVZONSA-N 2 2 331.485 3.066 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423533232 458454036 /nfs/dbraw/zinc/45/40/36/458454036.db2.gz SQSVUTHYFVIQKJ-YQQAZPJKSA-N 2 2 327.497 3.428 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423541363 458455032 /nfs/dbraw/zinc/45/50/32/458455032.db2.gz KQWQNMBTZRELFJ-VDZJLULYSA-N 3 2 347.934 3.282 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000430542124 458458660 /nfs/dbraw/zinc/45/86/60/458458660.db2.gz CEHCQDJXXCEYNF-WOJBJXKFSA-N 2 2 349.494 3.136 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605198 458470918 /nfs/dbraw/zinc/47/09/18/458470918.db2.gz QAWVYPQRZUSUMY-UWJYYQICSA-N 2 2 343.515 3.095 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605198 458470921 /nfs/dbraw/zinc/47/09/21/458470921.db2.gz QAWVYPQRZUSUMY-UWJYYQICSA-N 2 2 343.515 3.095 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000459759490 458471013 /nfs/dbraw/zinc/47/10/13/458471013.db2.gz WELPDDGZYKLUEF-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000430626707 458473038 /nfs/dbraw/zinc/47/30/38/458473038.db2.gz MEXNGHVICUHZHQ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000430626707 458473044 /nfs/dbraw/zinc/47/30/44/458473044.db2.gz MEXNGHVICUHZHQ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000430807798 458493010 /nfs/dbraw/zinc/49/30/10/458493010.db2.gz UIRKMNSHVKCHOR-MRXNPFEDSA-N 2 2 326.444 3.431 20 0 EGADLP C[C@@H]1C[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430944913 458508682 /nfs/dbraw/zinc/50/86/82/458508682.db2.gz OPKHRKBHWGMGJI-LZQZEXGQSA-N 2 2 348.450 3.495 20 0 EGADLP C[C@@H]1C[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430944913 458508686 /nfs/dbraw/zinc/50/86/86/458508686.db2.gz OPKHRKBHWGMGJI-LZQZEXGQSA-N 2 2 348.450 3.495 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955113 458510101 /nfs/dbraw/zinc/51/01/01/458510101.db2.gz HQYJSAYJAQHXRN-LAUBAEHRSA-N 2 2 345.531 3.165 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955113 458510108 /nfs/dbraw/zinc/51/01/08/458510108.db2.gz HQYJSAYJAQHXRN-LAUBAEHRSA-N 2 2 345.531 3.165 20 0 EGADLP CCC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CC[NH2+]CC1 ZINC000431067908 458522896 /nfs/dbraw/zinc/52/28/96/458522896.db2.gz SCROFZQSUBMDCV-UHFFFAOYSA-N 2 2 338.499 3.325 20 0 EGADLP CCC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1CC[NH2+]CC1 ZINC000431067908 458522901 /nfs/dbraw/zinc/52/29/01/458522901.db2.gz SCROFZQSUBMDCV-UHFFFAOYSA-N 2 2 338.499 3.325 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816883 458539033 /nfs/dbraw/zinc/53/90/33/458539033.db2.gz MVBXCEBUVQIDRG-RBUKOAKNSA-N 2 2 337.423 3.448 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000377826023 458542794 /nfs/dbraw/zinc/54/27/94/458542794.db2.gz IBRYPYMMJOPKKP-INIZCTEOSA-N 2 2 329.444 3.205 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000377826023 458542801 /nfs/dbraw/zinc/54/28/01/458542801.db2.gz IBRYPYMMJOPKKP-INIZCTEOSA-N 2 2 329.444 3.205 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377887444 458564195 /nfs/dbraw/zinc/56/41/95/458564195.db2.gz FMXGMTSPYOPQFS-ZDUSSCGKSA-N 2 2 335.835 3.080 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377887444 458564202 /nfs/dbraw/zinc/56/42/02/458564202.db2.gz FMXGMTSPYOPQFS-ZDUSSCGKSA-N 2 2 335.835 3.080 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431422489 458571019 /nfs/dbraw/zinc/57/10/19/458571019.db2.gz OAUBBQUPSBEJSO-MRXNPFEDSA-N 2 2 338.430 3.068 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000431422489 458571024 /nfs/dbraw/zinc/57/10/24/458571024.db2.gz OAUBBQUPSBEJSO-MRXNPFEDSA-N 2 2 338.430 3.068 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760385 458594111 /nfs/dbraw/zinc/59/41/11/458594111.db2.gz ZYHBFEXQIXWIDZ-KXBFYZLASA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760385 458594115 /nfs/dbraw/zinc/59/41/15/458594115.db2.gz ZYHBFEXQIXWIDZ-KXBFYZLASA-N 2 2 348.491 3.236 20 0 EGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000424262716 458596706 /nfs/dbraw/zinc/59/67/06/458596706.db2.gz GKSVJXCCXQPIEJ-AVCFWEGKSA-N 2 2 325.456 3.225 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1I ZINC000424369151 458626858 /nfs/dbraw/zinc/62/68/58/458626858.db2.gz BFAMIHSZUCWDRH-ZLKJLUDKSA-N 2 2 344.240 3.212 20 0 EGADLP CC(C)c1[nH+]c2c(n1C)CCN(c1cc(C(C)C)[nH+]c(N(C)C)n1)C2 ZINC000462816494 458657735 /nfs/dbraw/zinc/65/77/35/458657735.db2.gz GNNPVCTXDNNYPM-UHFFFAOYSA-N 2 2 342.491 3.086 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)CC3 ZINC000547309631 458717151 /nfs/dbraw/zinc/71/71/51/458717151.db2.gz DLIVEWHAVADYSB-HOTGVXAUSA-N 2 2 341.499 3.355 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)CC3 ZINC000547309631 458717160 /nfs/dbraw/zinc/71/71/60/458717160.db2.gz DLIVEWHAVADYSB-HOTGVXAUSA-N 2 2 341.499 3.355 20 0 EGADLP COc1cc(OC)c(C2CC[NH+]([C@H](C)[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000530214332 458717872 /nfs/dbraw/zinc/71/78/72/458717872.db2.gz XTXGWINBGJIONM-PBHICJAKSA-N 2 2 348.487 3.032 20 0 EGADLP CCCc1nc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837646 458740744 /nfs/dbraw/zinc/74/07/44/458740744.db2.gz KJGRCKIHZRCIBU-MSOLQXFVSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1nc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837646 458740747 /nfs/dbraw/zinc/74/07/47/458740747.db2.gz KJGRCKIHZRCIBU-MSOLQXFVSA-N 2 2 342.487 3.194 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547655514 458768766 /nfs/dbraw/zinc/76/87/66/458768766.db2.gz OMPKHPOIBICMBX-IUODEOHRSA-N 2 2 339.468 3.376 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827899 458794803 /nfs/dbraw/zinc/79/48/03/458794803.db2.gz HBVQIKGZHDROOA-CZUORRHYSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827899 458794805 /nfs/dbraw/zinc/79/48/05/458794805.db2.gz HBVQIKGZHDROOA-CZUORRHYSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)oc1C ZINC000432827899 458794807 /nfs/dbraw/zinc/79/48/07/458794807.db2.gz HBVQIKGZHDROOA-CZUORRHYSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)oc1C ZINC000432827899 458794811 /nfs/dbraw/zinc/79/48/11/458794811.db2.gz HBVQIKGZHDROOA-CZUORRHYSA-N 2 2 334.460 3.099 20 0 EGADLP CC[C@H](C[NH2+]C1CCC(C(=O)OC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000495258529 458821484 /nfs/dbraw/zinc/82/14/84/458821484.db2.gz CKQSWMZDIJDTGL-LYBXBRPPSA-N 2 2 344.499 3.145 20 0 EGADLP CC[C@H](C[NH2+]C1CCC(C(=O)OC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000495258529 458821489 /nfs/dbraw/zinc/82/14/89/458821489.db2.gz CKQSWMZDIJDTGL-LYBXBRPPSA-N 2 2 344.499 3.145 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c2ccccc21 ZINC000473147074 458821622 /nfs/dbraw/zinc/82/16/22/458821622.db2.gz WFIINVYEENCZDA-QGZVFWFLSA-N 2 2 326.488 3.220 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c2ccccc21 ZINC000473147074 458821625 /nfs/dbraw/zinc/82/16/25/458821625.db2.gz WFIINVYEENCZDA-QGZVFWFLSA-N 2 2 326.488 3.220 20 0 EGADLP CCn1nc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c2ccccc21 ZINC000473147074 458821626 /nfs/dbraw/zinc/82/16/26/458821626.db2.gz WFIINVYEENCZDA-QGZVFWFLSA-N 2 2 326.488 3.220 20 0 EGADLP CCn1nc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c2ccccc21 ZINC000473147074 458821629 /nfs/dbraw/zinc/82/16/29/458821629.db2.gz WFIINVYEENCZDA-QGZVFWFLSA-N 2 2 326.488 3.220 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474265920 458871872 /nfs/dbraw/zinc/87/18/72/458871872.db2.gz JDXLDBGYJUMJJF-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474265920 458871876 /nfs/dbraw/zinc/87/18/76/458871876.db2.gz JDXLDBGYJUMJJF-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000474618240 458893524 /nfs/dbraw/zinc/89/35/24/458893524.db2.gz YIRMLTUDOCODSW-GOSISDBHSA-N 2 2 332.488 3.311 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378348 458907948 /nfs/dbraw/zinc/90/79/48/458907948.db2.gz BKNIASYEIYTAQB-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378348 458907952 /nfs/dbraw/zinc/90/79/52/458907952.db2.gz BKNIASYEIYTAQB-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378348 458907956 /nfs/dbraw/zinc/90/79/56/458907956.db2.gz BKNIASYEIYTAQB-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378348 458907962 /nfs/dbraw/zinc/90/79/62/458907962.db2.gz BKNIASYEIYTAQB-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270047 458908499 /nfs/dbraw/zinc/90/84/99/458908499.db2.gz NKCYZPNGECBGFD-KFWWJZLASA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270047 458908503 /nfs/dbraw/zinc/90/85/03/458908503.db2.gz NKCYZPNGECBGFD-KFWWJZLASA-N 2 2 347.484 3.087 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531956800 459005883 /nfs/dbraw/zinc/00/58/83/459005883.db2.gz WSFJZEGEXJHZRE-MRXNPFEDSA-N 2 2 337.467 3.354 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531956800 459005886 /nfs/dbraw/zinc/00/58/86/459005886.db2.gz WSFJZEGEXJHZRE-MRXNPFEDSA-N 2 2 337.467 3.354 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@H+](C)CCC[NH+](C)C)o2)cc1 ZINC000520290044 459046055 /nfs/dbraw/zinc/04/60/55/459046055.db2.gz RLPRVCOFIWVDDE-UHFFFAOYSA-N 2 2 330.428 3.117 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+](C)CCC[NH+](C)C)o2)cc1 ZINC000520290044 459046061 /nfs/dbraw/zinc/04/60/61/459046061.db2.gz RLPRVCOFIWVDDE-UHFFFAOYSA-N 2 2 330.428 3.117 20 0 EGADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1F ZINC000532497638 459099829 /nfs/dbraw/zinc/09/98/29/459099829.db2.gz BWYRNVRCXZQPMC-DYESRHJHSA-N 2 2 341.474 3.465 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000577816612 459099878 /nfs/dbraw/zinc/09/98/78/459099878.db2.gz XZSRVRNZAZWVEC-OAHLLOKOSA-N 2 2 346.519 3.092 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000577839751 459105493 /nfs/dbraw/zinc/10/54/93/459105493.db2.gz RZQRAHAROXEXTQ-UZLBHIALSA-N 2 2 337.467 3.477 20 0 EGADLP CC(C)OC(=O)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000594621871 459117045 /nfs/dbraw/zinc/11/70/45/459117045.db2.gz CPGQLHDDHJZVOO-KRWDZBQOSA-N 2 2 333.476 3.006 20 0 EGADLP c1ccc(CSCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594616512 459117172 /nfs/dbraw/zinc/11/71/72/459117172.db2.gz DSBAJELXRVQMOC-IBGZPJMESA-N 2 2 334.529 3.107 20 0 EGADLP c1ccc(CSCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594616512 459117174 /nfs/dbraw/zinc/11/71/74/459117174.db2.gz DSBAJELXRVQMOC-IBGZPJMESA-N 2 2 334.529 3.107 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000496239833 459119429 /nfs/dbraw/zinc/11/94/29/459119429.db2.gz ZTEGPWQSWNUMJR-HUUCEWRRSA-N 2 2 336.480 3.044 20 0 EGADLP CSCC1(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000594661181 459124109 /nfs/dbraw/zinc/12/41/09/459124109.db2.gz WVPIGOSPVMKQNZ-UHFFFAOYSA-N 2 2 340.456 3.156 20 0 EGADLP Cc1noc(C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc2)n1 ZINC000567640033 459138641 /nfs/dbraw/zinc/13/86/41/459138641.db2.gz ZXGYMEWKFHGHEQ-GBESFXJTSA-N 2 2 334.423 3.396 20 0 EGADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)Cc1ccc2ccccc2c1 ZINC000567690443 459146309 /nfs/dbraw/zinc/14/63/09/459146309.db2.gz BLYFZKMTVGWSKJ-FQEVSTJZSA-N 2 2 335.451 3.230 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)cc1OC ZINC000578202284 459161608 /nfs/dbraw/zinc/16/16/08/459161608.db2.gz AUFRKZCNKGCHFR-OCCSQVGLSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)cc1OC ZINC000578202284 459161615 /nfs/dbraw/zinc/16/16/15/459161615.db2.gz AUFRKZCNKGCHFR-OCCSQVGLSA-N 2 2 347.484 3.139 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CN1C(=O)OC(C)(C)C ZINC000496361769 459165149 /nfs/dbraw/zinc/16/51/49/459165149.db2.gz PFQVBXDBZYXULJ-GJZGRUSLSA-N 2 2 348.491 3.097 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000594965451 459197734 /nfs/dbraw/zinc/19/77/34/459197734.db2.gz IRCLFEVBVQFVNX-DNNXHKROSA-N 2 2 348.556 3.319 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000594965451 459197738 /nfs/dbraw/zinc/19/77/38/459197738.db2.gz IRCLFEVBVQFVNX-DNNXHKROSA-N 2 2 348.556 3.319 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000480650422 459210850 /nfs/dbraw/zinc/21/08/50/459210850.db2.gz YMLFPFOLZLTGFN-BETUJISGSA-N 2 2 329.282 3.500 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000480650422 459210854 /nfs/dbraw/zinc/21/08/54/459210854.db2.gz YMLFPFOLZLTGFN-BETUJISGSA-N 2 2 329.282 3.500 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1cncnc1C)c1ccccc1 ZINC000578522366 459215656 /nfs/dbraw/zinc/21/56/56/459215656.db2.gz JLVMALPTVGLNLK-PXNSSMCTSA-N 2 2 342.487 3.145 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310015 459218788 /nfs/dbraw/zinc/21/87/88/459218788.db2.gz BWYNVKYORJBOHQ-PDRSHUBSSA-N 2 2 332.532 3.436 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310015 459218797 /nfs/dbraw/zinc/21/87/97/459218797.db2.gz BWYNVKYORJBOHQ-PDRSHUBSSA-N 2 2 332.532 3.436 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310015 459218801 /nfs/dbraw/zinc/21/88/01/459218801.db2.gz BWYNVKYORJBOHQ-PDRSHUBSSA-N 2 2 332.532 3.436 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310015 459218807 /nfs/dbraw/zinc/21/88/07/459218807.db2.gz BWYNVKYORJBOHQ-PDRSHUBSSA-N 2 2 332.532 3.436 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000533431966 459234385 /nfs/dbraw/zinc/23/43/85/459234385.db2.gz SRCHIJADALTYQP-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000533431966 459234391 /nfs/dbraw/zinc/23/43/91/459234391.db2.gz SRCHIJADALTYQP-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000533431966 459234395 /nfs/dbraw/zinc/23/43/95/459234395.db2.gz SRCHIJADALTYQP-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533431966 459234402 /nfs/dbraw/zinc/23/44/02/459234402.db2.gz SRCHIJADALTYQP-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169204 459238626 /nfs/dbraw/zinc/23/86/26/459238626.db2.gz DIKFTEWCFVMTFH-DYVFJYSZSA-N 2 2 336.526 3.070 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169204 459238632 /nfs/dbraw/zinc/23/86/32/459238632.db2.gz DIKFTEWCFVMTFH-DYVFJYSZSA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169204 459238638 /nfs/dbraw/zinc/23/86/38/459238638.db2.gz DIKFTEWCFVMTFH-DYVFJYSZSA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169204 459238642 /nfs/dbraw/zinc/23/86/42/459238642.db2.gz DIKFTEWCFVMTFH-DYVFJYSZSA-N 2 2 336.526 3.070 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(CC[NH+](C)C)CC3CCCCC3)ccn12 ZINC000568189724 459243590 /nfs/dbraw/zinc/24/35/90/459243590.db2.gz QYRAZPMXDHDVHR-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097543 459244786 /nfs/dbraw/zinc/24/47/86/459244786.db2.gz WVUFXGCVHWBRIX-IPELMVKDSA-N 2 2 330.472 3.242 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097543 459244788 /nfs/dbraw/zinc/24/47/88/459244788.db2.gz WVUFXGCVHWBRIX-IPELMVKDSA-N 2 2 330.472 3.242 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)o1 ZINC000590892143 459260991 /nfs/dbraw/zinc/26/09/91/459260991.db2.gz FUOURACABWYSGM-UHFFFAOYSA-N 2 2 341.455 3.214 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)o1 ZINC000590892143 459260992 /nfs/dbraw/zinc/26/09/92/459260992.db2.gz FUOURACABWYSGM-UHFFFAOYSA-N 2 2 341.455 3.214 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000534109134 459289021 /nfs/dbraw/zinc/28/90/21/459289021.db2.gz AWGSYSCQSWSIHB-UHFFFAOYSA-N 2 2 332.451 3.409 20 0 EGADLP CCc1nc(N2CCC[N@H+](CCCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000568544178 459306741 /nfs/dbraw/zinc/30/67/41/459306741.db2.gz KQCVILQLMKUERE-UHFFFAOYSA-N 2 2 338.499 3.492 20 0 EGADLP CCc1nc(N2CCC[N@@H+](CCCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000568544178 459306744 /nfs/dbraw/zinc/30/67/44/459306744.db2.gz KQCVILQLMKUERE-UHFFFAOYSA-N 2 2 338.499 3.492 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082564 459310140 /nfs/dbraw/zinc/31/01/40/459310140.db2.gz POOFJFKCBORHDH-YOEHRIQHSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082564 459310143 /nfs/dbraw/zinc/31/01/43/459310143.db2.gz POOFJFKCBORHDH-YOEHRIQHSA-N 2 2 346.862 3.051 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3CCC(C)CC3)c2cc1C ZINC000560327743 459323640 /nfs/dbraw/zinc/32/36/40/459323640.db2.gz VEFZWEAEIJFHKE-IUPXNIOVSA-N 2 2 329.488 3.430 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1)C1CC1 ZINC000523778144 459331351 /nfs/dbraw/zinc/33/13/51/459331351.db2.gz SALMRTAJZWZICU-UHFFFAOYSA-N 2 2 340.471 3.078 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1)C1CC1 ZINC000523778144 459331357 /nfs/dbraw/zinc/33/13/57/459331357.db2.gz SALMRTAJZWZICU-UHFFFAOYSA-N 2 2 340.471 3.078 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000496877044 459355251 /nfs/dbraw/zinc/35/52/51/459355251.db2.gz SVGNIHHYCSOTPA-OWCLPIDISA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000496877044 459355258 /nfs/dbraw/zinc/35/52/58/459355258.db2.gz SVGNIHHYCSOTPA-OWCLPIDISA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000496877042 459355707 /nfs/dbraw/zinc/35/57/07/459355707.db2.gz SVGNIHHYCSOTPA-BZUAXINKSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000496877042 459355709 /nfs/dbraw/zinc/35/57/09/459355709.db2.gz SVGNIHHYCSOTPA-BZUAXINKSA-N 2 2 339.524 3.285 20 0 EGADLP O=C(Nc1c[nH+]c2n1CCCC2)c1cccc(C[NH+]2CCCCC2)c1 ZINC000568969547 459374501 /nfs/dbraw/zinc/37/45/01/459374501.db2.gz JSFGPCWXPLNZJA-UHFFFAOYSA-N 2 2 338.455 3.458 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000560575285 459375680 /nfs/dbraw/zinc/37/56/80/459375680.db2.gz WSRGOENBRAJWNI-LOWRVKSDSA-N 2 2 336.426 3.480 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000560575285 459375686 /nfs/dbraw/zinc/37/56/86/459375686.db2.gz WSRGOENBRAJWNI-LOWRVKSDSA-N 2 2 336.426 3.480 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)Nc1ccccc1 ZINC000560904297 459405150 /nfs/dbraw/zinc/40/51/50/459405150.db2.gz PDOIGSNDCZMSPT-MRXNPFEDSA-N 2 2 329.488 3.400 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000484181822 459408726 /nfs/dbraw/zinc/40/87/26/459408726.db2.gz XCJKTDLKSKWLIR-GJZGRUSLSA-N 2 2 340.895 3.358 20 0 EGADLP CSCc1cccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000591762589 459430594 /nfs/dbraw/zinc/43/05/94/459430594.db2.gz LZPJYRXKANMTJN-FQEVSTJZSA-N 2 2 344.524 3.132 20 0 EGADLP CSCc1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000591762589 459430598 /nfs/dbraw/zinc/43/05/98/459430598.db2.gz LZPJYRXKANMTJN-FQEVSTJZSA-N 2 2 344.524 3.132 20 0 EGADLP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000485043315 459438653 /nfs/dbraw/zinc/43/86/53/459438653.db2.gz FMOKAUMYJOPKJL-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000485043315 459438660 /nfs/dbraw/zinc/43/86/60/459438660.db2.gz FMOKAUMYJOPKJL-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867301 459457695 /nfs/dbraw/zinc/45/76/95/459457695.db2.gz OGELTGBXWLPCMY-KSZLIROESA-N 2 2 340.471 3.094 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867301 459457697 /nfs/dbraw/zinc/45/76/97/459457697.db2.gz OGELTGBXWLPCMY-KSZLIROESA-N 2 2 340.471 3.094 20 0 EGADLP c1nc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000583427122 459536935 /nfs/dbraw/zinc/53/69/35/459536935.db2.gz XQWIRRDEAHAWHS-GOSISDBHSA-N 2 2 326.444 3.393 20 0 EGADLP c1nc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000583427122 459536937 /nfs/dbraw/zinc/53/69/37/459536937.db2.gz XQWIRRDEAHAWHS-GOSISDBHSA-N 2 2 326.444 3.393 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000542489743 459561508 /nfs/dbraw/zinc/56/15/08/459561508.db2.gz XGBFHEXOJGOYCL-STZQEDGTSA-N 2 2 338.495 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000542489743 459561514 /nfs/dbraw/zinc/56/15/14/459561514.db2.gz XGBFHEXOJGOYCL-STZQEDGTSA-N 2 2 338.495 3.233 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471344 459609179 /nfs/dbraw/zinc/60/91/79/459609179.db2.gz XKAMDNBVVXMGSJ-UHFFFAOYSA-N 2 2 342.439 3.326 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471344 459609184 /nfs/dbraw/zinc/60/91/84/459609184.db2.gz XKAMDNBVVXMGSJ-UHFFFAOYSA-N 2 2 342.439 3.326 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C(F)F)cc3)[nH+]c2)C1 ZINC000527232238 459611740 /nfs/dbraw/zinc/61/17/40/459611740.db2.gz BKZHTOHBRVTGLO-QGZVFWFLSA-N 2 2 346.425 3.194 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000573138420 459631915 /nfs/dbraw/zinc/63/19/15/459631915.db2.gz KVACVTYMPLYJOQ-KRWDZBQOSA-N 2 2 337.552 3.124 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000573140542 459632603 /nfs/dbraw/zinc/63/26/03/459632603.db2.gz UDTAZGHMKADIKI-JXFKEZNVSA-N 2 2 338.451 3.083 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000573140542 459632610 /nfs/dbraw/zinc/63/26/10/459632610.db2.gz UDTAZGHMKADIKI-JXFKEZNVSA-N 2 2 338.451 3.083 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000562770872 459643796 /nfs/dbraw/zinc/64/37/96/459643796.db2.gz YHAKAUUUTZLMNU-MRXNPFEDSA-N 2 2 341.459 3.000 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000499672783 459645614 /nfs/dbraw/zinc/64/56/14/459645614.db2.gz URYUOHPRPFSOJB-GXTWGEPZSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000499672783 459645618 /nfs/dbraw/zinc/64/56/18/459645618.db2.gz URYUOHPRPFSOJB-GXTWGEPZSA-N 2 2 328.378 3.299 20 0 EGADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000527662755 459689539 /nfs/dbraw/zinc/68/95/39/459689539.db2.gz RUVXFFOPOLKMEQ-GFCCVEGCSA-N 2 2 348.434 3.357 20 0 EGADLP O[C@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000573774941 459731507 /nfs/dbraw/zinc/73/15/07/459731507.db2.gz QZBGJHRWNQRPLX-LEWJYISDSA-N 2 2 342.458 3.156 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCCC(F)(F)C3)c2cc1C ZINC000584524820 459761790 /nfs/dbraw/zinc/76/17/90/459761790.db2.gz KBHIRRVQYUFHBT-GJZGRUSLSA-N 2 2 337.414 3.182 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000527954205 459780660 /nfs/dbraw/zinc/78/06/60/459780660.db2.gz ZQBODWWRBDLSRD-IBGZPJMESA-N 3 2 328.504 3.047 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000527954205 459780665 /nfs/dbraw/zinc/78/06/65/459780665.db2.gz ZQBODWWRBDLSRD-IBGZPJMESA-N 3 2 328.504 3.047 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528004075 459793779 /nfs/dbraw/zinc/79/37/79/459793779.db2.gz VCTJXDXQWZMEDD-FUHWJXTLSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528004075 459793781 /nfs/dbraw/zinc/79/37/81/459793781.db2.gz VCTJXDXQWZMEDD-FUHWJXTLSA-N 2 2 330.472 3.298 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000584739574 459793775 /nfs/dbraw/zinc/79/37/75/459793775.db2.gz ACYQSSAYMHVGTC-DLBZAZTESA-N 2 2 347.507 3.014 20 0 EGADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000584739574 459793780 /nfs/dbraw/zinc/79/37/80/459793780.db2.gz ACYQSSAYMHVGTC-DLBZAZTESA-N 2 2 347.507 3.014 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007090 459794927 /nfs/dbraw/zinc/79/49/27/459794927.db2.gz BIMAOQXAHLWYBF-JXFKEZNVSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007090 459794934 /nfs/dbraw/zinc/79/49/34/459794934.db2.gz BIMAOQXAHLWYBF-JXFKEZNVSA-N 2 2 341.499 3.481 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000574912603 459892677 /nfs/dbraw/zinc/89/26/77/459892677.db2.gz OSKNGGVIEAKNTK-JKSUJKDBSA-N 2 2 344.421 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000574912603 459892680 /nfs/dbraw/zinc/89/26/80/459892680.db2.gz OSKNGGVIEAKNTK-JKSUJKDBSA-N 2 2 344.421 3.073 20 0 EGADLP Fc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000575431010 459975516 /nfs/dbraw/zinc/97/55/16/459975516.db2.gz QXNGSBDYOTYAOU-OAHLLOKOSA-N 2 2 346.368 3.136 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000593908837 460015910 /nfs/dbraw/zinc/01/59/10/460015910.db2.gz GEUNQVXJXHNIQT-SFHVURJKSA-N 2 2 349.544 3.470 20 0 EGADLP C[C@H](C[S@](C)=O)[N@@H+](C)[C@@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616593 460023952 /nfs/dbraw/zinc/02/39/52/460023952.db2.gz WDFPFEFIJOBBTK-ZMHGRXQUSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616593 460023959 /nfs/dbraw/zinc/02/39/59/460023959.db2.gz WDFPFEFIJOBBTK-ZMHGRXQUSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616593 460023966 /nfs/dbraw/zinc/02/39/66/460023966.db2.gz WDFPFEFIJOBBTK-ZMHGRXQUSA-N 2 2 334.529 3.053 20 0 EGADLP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000597752350 460045899 /nfs/dbraw/zinc/04/58/99/460045899.db2.gz ZLUHGQBKKQCEBQ-IBGZPJMESA-N 2 2 348.450 3.291 20 0 EGADLP COC(=O)CC1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000599025469 460130943 /nfs/dbraw/zinc/13/09/43/460130943.db2.gz OUJXNBIPMFYQOT-UHFFFAOYSA-N 2 2 327.428 3.084 20 0 EGADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576648614 460186261 /nfs/dbraw/zinc/18/62/61/460186261.db2.gz QTHHVRQJWAMONY-IBGZPJMESA-N 2 2 333.520 3.221 20 0 EGADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576648614 460186267 /nfs/dbraw/zinc/18/62/67/460186267.db2.gz QTHHVRQJWAMONY-IBGZPJMESA-N 2 2 333.520 3.221 20 0 EGADLP Clc1cccc2c1CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000576742841 460204966 /nfs/dbraw/zinc/20/49/66/460204966.db2.gz CHCZWMKNNXMSJR-KRWDZBQOSA-N 2 2 328.847 3.244 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310256 460225752 /nfs/dbraw/zinc/22/57/52/460225752.db2.gz RUTQMOURFLFWJM-MSOLQXFVSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310256 460225756 /nfs/dbraw/zinc/22/57/56/460225756.db2.gz RUTQMOURFLFWJM-MSOLQXFVSA-N 2 2 349.906 3.077 20 0 EGADLP CCOc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1F ZINC000623089355 460408175 /nfs/dbraw/zinc/40/81/75/460408175.db2.gz DJSGDCWBPCVWJW-UHFFFAOYSA-N 2 2 330.394 3.291 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1nccn1C ZINC000631664908 460499055 /nfs/dbraw/zinc/49/90/55/460499055.db2.gz RZBWQAMDWMVBNH-NEWSRXKRSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1nccn1C ZINC000631664908 460499060 /nfs/dbraw/zinc/49/90/60/460499060.db2.gz RZBWQAMDWMVBNH-NEWSRXKRSA-N 2 2 326.488 3.229 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000629562435 460809919 /nfs/dbraw/zinc/80/99/19/460809919.db2.gz NPHBJBZLBBSSNG-NEPJUHHUSA-N 2 2 338.320 3.247 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000629562435 460809921 /nfs/dbraw/zinc/80/99/21/460809921.db2.gz NPHBJBZLBBSSNG-NEPJUHHUSA-N 2 2 338.320 3.247 20 0 EGADLP Cc1cc(NC[C@@H](O)C[NH+]2CCCC2)ccc1Oc1cc[nH+]cc1 ZINC000629581753 460814477 /nfs/dbraw/zinc/81/44/77/460814477.db2.gz FYMDSHFXDIOEKF-QGZVFWFLSA-N 2 2 327.428 3.051 20 0 EGADLP CC(C)c1ccsc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472530 460817629 /nfs/dbraw/zinc/81/76/29/460817629.db2.gz NTHNXLLLOXLEEH-INIZCTEOSA-N 2 2 349.544 3.112 20 0 EGADLP CC(C)c1ccsc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472530 460817639 /nfs/dbraw/zinc/81/76/39/460817639.db2.gz NTHNXLLLOXLEEH-INIZCTEOSA-N 2 2 349.544 3.112 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000624018927 460824097 /nfs/dbraw/zinc/82/40/97/460824097.db2.gz AUCFHCPZZSYLIR-HZPDHXFCSA-N 2 2 331.460 3.495 20 0 EGADLP C[C@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624825 460859880 /nfs/dbraw/zinc/85/98/80/460859880.db2.gz NSUDCEQNBLCBHU-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624825 460859883 /nfs/dbraw/zinc/85/98/83/460859883.db2.gz NSUDCEQNBLCBHU-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP Cc1cn2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2[nH+]1 ZINC000635642115 460867823 /nfs/dbraw/zinc/86/78/23/460867823.db2.gz ZOVAHIURVXZRBH-UHFFFAOYSA-N 2 2 340.471 3.170 20 0 EGADLP COCCCNc1ccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)c[nH+]1 ZINC000629731677 460893859 /nfs/dbraw/zinc/89/38/59/460893859.db2.gz MDVFYGFWCGTPLA-UHFFFAOYSA-N 2 2 340.402 3.003 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624332964 460963609 /nfs/dbraw/zinc/96/36/09/460963609.db2.gz DPIXCTPEOYHZEF-QUCCMNQESA-N 2 2 346.515 3.009 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624332964 460963618 /nfs/dbraw/zinc/96/36/18/460963618.db2.gz DPIXCTPEOYHZEF-QUCCMNQESA-N 2 2 346.515 3.009 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000628190650 461042261 /nfs/dbraw/zinc/04/22/61/461042261.db2.gz MGQZWYGCGGBMPI-BBRMVZONSA-N 2 2 334.414 3.310 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000628190650 461042265 /nfs/dbraw/zinc/04/22/65/461042265.db2.gz MGQZWYGCGGBMPI-BBRMVZONSA-N 2 2 334.414 3.310 20 0 EGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000641111364 461114379 /nfs/dbraw/zinc/11/43/79/461114379.db2.gz AYEYLRYRTMFSJZ-FQEVSTJZSA-N 2 2 335.455 3.455 20 0 EGADLP CC[NH+](CC)CC1CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668151854 461137752 /nfs/dbraw/zinc/13/77/52/461137752.db2.gz QEOJGYFVPNWPEP-UHFFFAOYSA-N 2 2 343.475 3.228 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1 ZINC000652351203 461144521 /nfs/dbraw/zinc/14/45/21/461144521.db2.gz MOCXXUBAFDOONK-PXNSSMCTSA-N 2 2 340.471 3.421 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1 ZINC000652351203 461144527 /nfs/dbraw/zinc/14/45/27/461144527.db2.gz MOCXXUBAFDOONK-PXNSSMCTSA-N 2 2 340.471 3.421 20 0 EGADLP CCc1cc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nc(C)[nH+]1 ZINC000649565893 461179322 /nfs/dbraw/zinc/17/93/22/461179322.db2.gz UQUBWUHOMMKWRB-UHFFFAOYSA-N 2 2 330.398 3.200 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000638058770 461221158 /nfs/dbraw/zinc/22/11/58/461221158.db2.gz XEJSTTODVDRHFP-RFFSMVSESA-N 2 2 341.543 3.337 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000638058770 461221162 /nfs/dbraw/zinc/22/11/62/461221162.db2.gz XEJSTTODVDRHFP-RFFSMVSESA-N 2 2 341.543 3.337 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108902 461243396 /nfs/dbraw/zinc/24/33/96/461243396.db2.gz BUFMQGFGPRBWHF-MJGOQNOKSA-N 2 2 334.504 3.143 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108902 461243402 /nfs/dbraw/zinc/24/34/02/461243402.db2.gz BUFMQGFGPRBWHF-MJGOQNOKSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108902 461243409 /nfs/dbraw/zinc/24/34/09/461243409.db2.gz BUFMQGFGPRBWHF-MJGOQNOKSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108902 461243414 /nfs/dbraw/zinc/24/34/14/461243414.db2.gz BUFMQGFGPRBWHF-MJGOQNOKSA-N 2 2 334.504 3.143 20 0 EGADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000662446854 461247175 /nfs/dbraw/zinc/24/71/75/461247175.db2.gz PZSHCPRRSZACKF-IRXDYDNUSA-N 2 2 347.503 3.029 20 0 EGADLP CCc1cc2c(nc(C)nc2NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000641444284 461249331 /nfs/dbraw/zinc/24/93/31/461249331.db2.gz RKEWFPILJOMJGL-UHFFFAOYSA-N 2 2 347.532 3.000 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])ccc2n1C1CC1 ZINC000646561986 461333548 /nfs/dbraw/zinc/33/35/48/461333548.db2.gz SAVFNMBQPAPRRK-JXFKEZNVSA-N 2 2 340.471 3.203 20 0 EGADLP [NH3+]CC12CC(C1)CN2C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000662677981 461345546 /nfs/dbraw/zinc/34/55/46/461345546.db2.gz BAHOEWGJNKCCQK-UHFFFAOYSA-N 2 2 343.814 3.091 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000655691574 461365089 /nfs/dbraw/zinc/36/50/89/461365089.db2.gz VTNHOJUZZXJEMU-BBRMVZONSA-N 2 2 340.414 3.192 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nc2ccccc2[nH]1 ZINC000655700931 461371830 /nfs/dbraw/zinc/37/18/30/461371830.db2.gz RBXRFXKKWPGIMG-VQIMIIECSA-N 2 2 342.487 3.103 20 0 EGADLP Cc1cc(NC(=O)NCCC(C)(C)[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000641815610 461386357 /nfs/dbraw/zinc/38/63/57/461386357.db2.gz OSSJVVBLDZCVNZ-CQSZACIVSA-N 2 2 333.480 3.018 20 0 EGADLP CSc1ccc(F)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655718683 461386912 /nfs/dbraw/zinc/38/69/12/461386912.db2.gz PITSLISISYTWTH-KRWDZBQOSA-N 2 2 338.492 3.281 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000655727581 461396326 /nfs/dbraw/zinc/39/63/26/461396326.db2.gz PAFIASHYCZEWOZ-FZMZJTMJSA-N 2 2 328.378 3.008 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1C(F)(F)F ZINC000668738416 461407210 /nfs/dbraw/zinc/40/72/10/461407210.db2.gz CKIDRCIRPFSRII-INIZCTEOSA-N 2 2 342.405 3.045 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1C(F)(F)F ZINC000668738416 461407213 /nfs/dbraw/zinc/40/72/13/461407213.db2.gz CKIDRCIRPFSRII-INIZCTEOSA-N 2 2 342.405 3.045 20 0 EGADLP CCc1cccc2cc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)oc21 ZINC000668740181 461409254 /nfs/dbraw/zinc/40/92/54/461409254.db2.gz RBUKZCGFIOCKFJ-SFHVURJKSA-N 2 2 328.456 3.026 20 0 EGADLP CCc1cccc2cc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)oc21 ZINC000668740181 461409256 /nfs/dbraw/zinc/40/92/56/461409256.db2.gz RBUKZCGFIOCKFJ-SFHVURJKSA-N 2 2 328.456 3.026 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000668740532 461409888 /nfs/dbraw/zinc/40/98/88/461409888.db2.gz JMVCNVXNEVARFI-SFHVURJKSA-N 2 2 344.430 3.117 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000668740532 461409896 /nfs/dbraw/zinc/40/98/96/461409896.db2.gz JMVCNVXNEVARFI-SFHVURJKSA-N 2 2 344.430 3.117 20 0 EGADLP CC[N@H+](CCOc1ccccc1OC)Cc1cccc2[nH+]ccn21 ZINC000668763170 461419902 /nfs/dbraw/zinc/41/99/02/461419902.db2.gz RBDRVOYLCVGSBO-UHFFFAOYSA-N 2 2 325.412 3.244 20 0 EGADLP CC[N@@H+](CCOc1ccccc1OC)Cc1cccc2[nH+]ccn21 ZINC000668763170 461419908 /nfs/dbraw/zinc/41/99/08/461419908.db2.gz RBDRVOYLCVGSBO-UHFFFAOYSA-N 2 2 325.412 3.244 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000653095081 461498757 /nfs/dbraw/zinc/49/87/57/461498757.db2.gz ZFLXCVCWZNFHLN-HZPDHXFCSA-N 2 2 339.911 3.213 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655849862 461499062 /nfs/dbraw/zinc/49/90/62/461499062.db2.gz ZSLLOKFNUOHGIB-QZTJIDSGSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849862 461499071 /nfs/dbraw/zinc/49/90/71/461499071.db2.gz ZSLLOKFNUOHGIB-QZTJIDSGSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096841 461499752 /nfs/dbraw/zinc/49/97/52/461499752.db2.gz XLOYLLCCNOQTSQ-OXJNMPFZSA-N 2 2 339.483 3.152 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)cn1 ZINC000655855209 461503495 /nfs/dbraw/zinc/50/34/95/461503495.db2.gz DYMLKTJLUDJHGK-MOPGFXCFSA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)cn1 ZINC000655855209 461503500 /nfs/dbraw/zinc/50/35/00/461503500.db2.gz DYMLKTJLUDJHGK-MOPGFXCFSA-N 2 2 338.455 3.375 20 0 EGADLP Fc1ccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000659948277 461511657 /nfs/dbraw/zinc/51/16/57/461511657.db2.gz QKKURGFWRNPYAJ-CQSZACIVSA-N 2 2 326.456 3.475 20 0 EGADLP Fc1ccc(SCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000659948277 461511669 /nfs/dbraw/zinc/51/16/69/461511669.db2.gz QKKURGFWRNPYAJ-CQSZACIVSA-N 2 2 326.456 3.475 20 0 EGADLP CC[N@@H+](Cc1cc(C)nc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972566 461524119 /nfs/dbraw/zinc/52/41/19/461524119.db2.gz AWBNWGWSIUZXPL-UHFFFAOYSA-N 2 2 339.487 3.227 20 0 EGADLP CC[N@H+](Cc1cc(C)nc(C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972566 461524130 /nfs/dbraw/zinc/52/41/30/461524130.db2.gz AWBNWGWSIUZXPL-UHFFFAOYSA-N 2 2 339.487 3.227 20 0 EGADLP Clc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cn2c1 ZINC000663345562 461573943 /nfs/dbraw/zinc/57/39/43/461573943.db2.gz KWKNYIQXERBPBC-HNNXBMFYSA-N 2 2 332.879 3.199 20 0 EGADLP Clc1ccc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cn2c1 ZINC000663345562 461573952 /nfs/dbraw/zinc/57/39/52/461573952.db2.gz KWKNYIQXERBPBC-HNNXBMFYSA-N 2 2 332.879 3.199 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663360869 461589538 /nfs/dbraw/zinc/58/95/38/461589538.db2.gz WMRVURLWPLPCKD-GOSISDBHSA-N 2 2 339.483 3.150 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663360869 461589541 /nfs/dbraw/zinc/58/95/41/461589541.db2.gz WMRVURLWPLPCKD-GOSISDBHSA-N 2 2 339.483 3.150 20 0 EGADLP C[C@@H]1CN(c2ccc(CNc3[nH+]ccc4c(N)cccc43)c[nH+]2)CCO1 ZINC000663391697 461612551 /nfs/dbraw/zinc/61/25/51/461612551.db2.gz KOGHAPNZHUDZBV-CQSZACIVSA-N 2 2 349.438 3.049 20 0 EGADLP Cc1c[nH]c(CN[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000631189874 461627846 /nfs/dbraw/zinc/62/78/46/461627846.db2.gz DJOUVGWWJLVILE-CQSZACIVSA-N 2 2 326.366 3.129 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631194165 461631934 /nfs/dbraw/zinc/63/19/34/461631934.db2.gz JFMHQNYVKTYMKO-IEBWSBKVSA-N 2 2 326.488 3.322 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631194165 461631940 /nfs/dbraw/zinc/63/19/40/461631940.db2.gz JFMHQNYVKTYMKO-IEBWSBKVSA-N 2 2 326.488 3.322 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000643235691 461642443 /nfs/dbraw/zinc/64/24/43/461642443.db2.gz AGMQPFOJFUYSQR-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000643235691 461642449 /nfs/dbraw/zinc/64/24/49/461642449.db2.gz AGMQPFOJFUYSQR-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000656202064 461646356 /nfs/dbraw/zinc/64/63/56/461646356.db2.gz XBPRICFFURBVTK-FHLIZLRMSA-N 2 2 326.440 3.067 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467437 461657913 /nfs/dbraw/zinc/65/79/13/461657913.db2.gz FWRKBGYHQCOWLI-DNVCBOLYSA-N 2 2 338.442 3.364 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467437 461657921 /nfs/dbraw/zinc/65/79/21/461657921.db2.gz FWRKBGYHQCOWLI-DNVCBOLYSA-N 2 2 338.442 3.364 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)cn21 ZINC000647364935 461659060 /nfs/dbraw/zinc/65/90/60/461659060.db2.gz SJELOWDSMYKVIT-HNNXBMFYSA-N 2 2 348.450 3.421 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656250999 461673930 /nfs/dbraw/zinc/67/39/30/461673930.db2.gz DCESWJCMPCPZMT-KRWDZBQOSA-N 2 2 339.418 3.353 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656250999 461673936 /nfs/dbraw/zinc/67/39/36/461673936.db2.gz DCESWJCMPCPZMT-KRWDZBQOSA-N 2 2 339.418 3.353 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000656260785 461687252 /nfs/dbraw/zinc/68/72/52/461687252.db2.gz WLXBZVOBVRDOIE-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000656260785 461687259 /nfs/dbraw/zinc/68/72/59/461687259.db2.gz WLXBZVOBVRDOIE-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000656260785 461687268 /nfs/dbraw/zinc/68/72/68/461687268.db2.gz WLXBZVOBVRDOIE-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000656260785 461687275 /nfs/dbraw/zinc/68/72/75/461687275.db2.gz WLXBZVOBVRDOIE-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP c1c[nH+]c2c(c1)CC[C@@H](Nc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000643348034 461700001 /nfs/dbraw/zinc/70/00/01/461700001.db2.gz ITLFLXKIUBOCNT-HXUWFJFHSA-N 2 2 337.467 3.273 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cccc(Br)c2OC)CC[C@@H]1[NH3+] ZINC000647497344 461737567 /nfs/dbraw/zinc/73/75/67/461737567.db2.gz DIEYGCLWMBFYJR-FZMZJTMJSA-N 2 2 327.266 3.017 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000643537413 461756362 /nfs/dbraw/zinc/75/63/62/461756362.db2.gz HNJXZPXFCBXQOT-PKFCDNJMSA-N 2 2 347.659 3.379 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](c2nccn2C)C2CC2)CC1 ZINC000639110560 461734633 /nfs/dbraw/zinc/73/46/33/461734633.db2.gz PAUGZQUDHWHSCC-SFHVURJKSA-N 2 2 326.444 3.118 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000643466039 461737348 /nfs/dbraw/zinc/73/73/48/461737348.db2.gz REFOSHXYHFAYHZ-QMMMGPOBSA-N 2 2 327.325 3.256 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cccc(Br)c2OC)CC[C@@H]1[NH3+] ZINC000647497344 461737558 /nfs/dbraw/zinc/73/75/58/461737558.db2.gz DIEYGCLWMBFYJR-FZMZJTMJSA-N 2 2 327.266 3.017 20 0 EGADLP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000643471923 461738779 /nfs/dbraw/zinc/73/87/79/461738779.db2.gz RWXXZLGTYDYERL-RTBURBONSA-N 2 2 325.456 3.452 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccccc1 ZINC000656503605 461769332 /nfs/dbraw/zinc/76/93/32/461769332.db2.gz PQKKSMWCBKYJND-HXUWFJFHSA-N 2 2 332.451 3.377 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639177313 461782611 /nfs/dbraw/zinc/78/26/11/461782611.db2.gz RQQMAGPRJCTYEL-ZDUSSCGKSA-N 2 2 328.366 3.236 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639177313 461782614 /nfs/dbraw/zinc/78/26/14/461782614.db2.gz RQQMAGPRJCTYEL-ZDUSSCGKSA-N 2 2 328.366 3.236 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000666759226 461793400 /nfs/dbraw/zinc/79/34/00/461793400.db2.gz UGQGXMADAPWAGM-YIONKMFJSA-N 2 2 329.469 3.191 20 0 EGADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2cc(C)[nH+]c3ccc(F)cc32)C1 ZINC000643745238 461795228 /nfs/dbraw/zinc/79/52/28/461795228.db2.gz ZGSYKQZWHBPFKZ-DYVFJYSZSA-N 2 2 326.375 3.372 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660528542 461833310 /nfs/dbraw/zinc/83/33/10/461833310.db2.gz MPMDLLVRVVYODC-HOTGVXAUSA-N 2 2 341.377 3.218 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000669905606 461833711 /nfs/dbraw/zinc/83/37/11/461833711.db2.gz XVPKKAYNYWGZRZ-INIZCTEOSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000669905606 461833720 /nfs/dbraw/zinc/83/37/20/461833720.db2.gz XVPKKAYNYWGZRZ-INIZCTEOSA-N 2 2 337.423 3.088 20 0 EGADLP CC(C)(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)Oc1ccccc1 ZINC000639301925 461850563 /nfs/dbraw/zinc/85/05/63/461850563.db2.gz IWPDZVUWNLYHCZ-SFHVURJKSA-N 2 2 332.488 3.031 20 0 EGADLP CC(C)(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)Oc1ccccc1 ZINC000639301925 461850570 /nfs/dbraw/zinc/85/05/70/461850570.db2.gz IWPDZVUWNLYHCZ-SFHVURJKSA-N 2 2 332.488 3.031 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647872228 461866127 /nfs/dbraw/zinc/86/61/27/461866127.db2.gz JISGVCLGPPXBSK-GFCCVEGCSA-N 2 2 344.286 3.253 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647872228 461866134 /nfs/dbraw/zinc/86/61/34/461866134.db2.gz JISGVCLGPPXBSK-GFCCVEGCSA-N 2 2 344.286 3.253 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000639372030 461892260 /nfs/dbraw/zinc/89/22/60/461892260.db2.gz WDOFAGKEPCSCGS-VNQPRFMTSA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000639372030 461892268 /nfs/dbraw/zinc/89/22/68/461892268.db2.gz WDOFAGKEPCSCGS-VNQPRFMTSA-N 2 2 329.271 3.071 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000639375852 461894001 /nfs/dbraw/zinc/89/40/01/461894001.db2.gz HTLDBTZDNWKCFV-UHFFFAOYSA-N 2 2 339.430 3.084 20 0 EGADLP Clc1ccc(Cl)c(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000650709557 461903040 /nfs/dbraw/zinc/90/30/40/461903040.db2.gz FNHOEBFKRQXVFJ-CYBMUJFWSA-N 2 2 328.287 3.115 20 0 EGADLP CC(C)c1cc(N2CCC(CO)([NH2+]CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000663992994 461905585 /nfs/dbraw/zinc/90/55/85/461905585.db2.gz XSTVYJZXKKHZPH-UHFFFAOYSA-N 2 2 346.519 3.054 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956911 461908973 /nfs/dbraw/zinc/90/89/73/461908973.db2.gz QNTYCEBGSYJPQG-GDBMZVCRSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956911 461908977 /nfs/dbraw/zinc/90/89/77/461908977.db2.gz QNTYCEBGSYJPQG-GDBMZVCRSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956911 461908984 /nfs/dbraw/zinc/90/89/84/461908984.db2.gz QNTYCEBGSYJPQG-GDBMZVCRSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956911 461908988 /nfs/dbraw/zinc/90/89/88/461908988.db2.gz QNTYCEBGSYJPQG-GDBMZVCRSA-N 2 2 333.501 3.134 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccc(F)cc1F)C2 ZINC000660664658 461912314 /nfs/dbraw/zinc/91/23/14/461912314.db2.gz RISYUQUBWAWQHA-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCSc1ccc(F)cc1F)C2 ZINC000660664658 461912325 /nfs/dbraw/zinc/91/23/25/461912325.db2.gz RISYUQUBWAWQHA-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCSc1ccc(F)cc1F)C2 ZINC000660664658 461912333 /nfs/dbraw/zinc/91/23/33/461912333.db2.gz RISYUQUBWAWQHA-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCSc1ccc(F)cc1F)C2 ZINC000660664658 461912340 /nfs/dbraw/zinc/91/23/40/461912340.db2.gz RISYUQUBWAWQHA-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000667119059 461958092 /nfs/dbraw/zinc/95/80/92/461958092.db2.gz HPRCBRQPIFZWQX-GOSISDBHSA-N 2 2 338.455 3.403 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c(C)[nH+]1 ZINC000667119059 461958097 /nfs/dbraw/zinc/95/80/97/461958097.db2.gz HPRCBRQPIFZWQX-GOSISDBHSA-N 2 2 338.455 3.403 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518343 461967088 /nfs/dbraw/zinc/96/70/88/461967088.db2.gz FETQPVQPZKWONB-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518343 461967095 /nfs/dbraw/zinc/96/70/95/461967095.db2.gz FETQPVQPZKWONB-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)co2)c1 ZINC000639518343 461967098 /nfs/dbraw/zinc/96/70/98/461967098.db2.gz FETQPVQPZKWONB-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)co2)c1 ZINC000639518343 461967103 /nfs/dbraw/zinc/96/71/03/461967103.db2.gz FETQPVQPZKWONB-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cscc1C(F)(F)F)CCO2 ZINC000648072150 461970147 /nfs/dbraw/zinc/97/01/47/461970147.db2.gz OTKNVOVUMWLKIQ-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cscc1C(F)(F)F)CCO2 ZINC000648072150 461970154 /nfs/dbraw/zinc/97/01/54/461970154.db2.gz OTKNVOVUMWLKIQ-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc[nH+]c1N1CCCC1 ZINC000664196389 461977298 /nfs/dbraw/zinc/97/72/98/461977298.db2.gz WEMJJCIEOBYMFK-UHFFFAOYSA-N 2 2 325.391 3.320 20 0 EGADLP Cc1c2ccccc2oc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644567619 461988774 /nfs/dbraw/zinc/98/87/74/461988774.db2.gz BZLVCEBCFQWVHE-SFHVURJKSA-N 2 2 338.451 3.324 20 0 EGADLP Cc1c2ccccc2oc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644567619 461988780 /nfs/dbraw/zinc/98/87/80/461988780.db2.gz BZLVCEBCFQWVHE-SFHVURJKSA-N 2 2 338.451 3.324 20 0 EGADLP CN(C)c1ccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000660857629 461998682 /nfs/dbraw/zinc/99/86/82/461998682.db2.gz TZRCJRYPMHNPQA-UHFFFAOYSA-N 2 2 349.482 3.479 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1F ZINC000644616135 462010825 /nfs/dbraw/zinc/01/08/25/462010825.db2.gz QCPLXFXKVGVUTG-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1F ZINC000644616135 462010832 /nfs/dbraw/zinc/01/08/32/462010832.db2.gz QCPLXFXKVGVUTG-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP c1ccc(C[NH2+]C2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000639661018 462046143 /nfs/dbraw/zinc/04/61/43/462046143.db2.gz MLSALQHVYNGKLS-IBGZPJMESA-N 2 2 338.451 3.081 20 0 EGADLP COC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1cccc(C(F)(F)F)c1 ZINC000657363843 462072909 /nfs/dbraw/zinc/07/29/09/462072909.db2.gz CONKBHMTEAQHFP-OAHLLOKOSA-N 2 2 327.350 3.225 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCO1 ZINC000648457107 462128666 /nfs/dbraw/zinc/12/86/66/462128666.db2.gz MLANWEOEKDAQHN-YSIASYRMSA-N 2 2 346.515 3.434 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)CCCO1 ZINC000657448130 462130894 /nfs/dbraw/zinc/13/08/94/462130894.db2.gz HJZUYRUEHYURNE-CYBMUJFWSA-N 2 2 346.393 3.018 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)CCCO1 ZINC000657448130 462130896 /nfs/dbraw/zinc/13/08/96/462130896.db2.gz HJZUYRUEHYURNE-CYBMUJFWSA-N 2 2 346.393 3.018 20 0 EGADLP Cc1ccc(C)c(OC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000667547200 462137171 /nfs/dbraw/zinc/13/71/71/462137171.db2.gz DGLSQVBHOZETNT-UHFFFAOYSA-N 2 2 325.456 3.490 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560751 462144036 /nfs/dbraw/zinc/14/40/36/462144036.db2.gz BSPDZLJPPXQKHR-HKUYNNGSSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560751 462144041 /nfs/dbraw/zinc/14/40/41/462144041.db2.gz BSPDZLJPPXQKHR-HKUYNNGSSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560751 462144047 /nfs/dbraw/zinc/14/40/47/462144047.db2.gz BSPDZLJPPXQKHR-HKUYNNGSSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560751 462144053 /nfs/dbraw/zinc/14/40/53/462144053.db2.gz BSPDZLJPPXQKHR-HKUYNNGSSA-N 2 2 330.520 3.380 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4c(cccc4C)[nH]3)CC2)c1 ZINC000667596958 462165372 /nfs/dbraw/zinc/16/53/72/462165372.db2.gz XVDVVGQSMOMLRV-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000639987285 462207424 /nfs/dbraw/zinc/20/74/24/462207424.db2.gz AERJUHBLIXJIST-UHFFFAOYSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667699961 462221120 /nfs/dbraw/zinc/22/11/20/462221120.db2.gz OOPNHIGFSJJRLJ-BLLLJJGKSA-N 2 2 349.276 3.432 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667699961 462221127 /nfs/dbraw/zinc/22/11/27/462221127.db2.gz OOPNHIGFSJJRLJ-BLLLJJGKSA-N 2 2 349.276 3.432 20 0 EGADLP Fc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000657750131 462249722 /nfs/dbraw/zinc/24/97/22/462249722.db2.gz AVJJATFZUDJRAM-INIZCTEOSA-N 2 2 346.368 3.187 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000651650206 462289018 /nfs/dbraw/zinc/28/90/18/462289018.db2.gz GZYLDALVOKKRNL-BBRMVZONSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000651650206 462289021 /nfs/dbraw/zinc/28/90/21/462289021.db2.gz GZYLDALVOKKRNL-BBRMVZONSA-N 2 2 333.407 3.123 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(Cl)c1 ZINC000651673493 462299393 /nfs/dbraw/zinc/29/93/93/462299393.db2.gz KRJXVMQSGXMTNG-UHFFFAOYSA-N 2 2 344.890 3.085 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880330 462306094 /nfs/dbraw/zinc/30/60/94/462306094.db2.gz WJQFYSBMCDCTOD-RTWAWAEBSA-N 2 2 329.532 3.098 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880330 462306097 /nfs/dbraw/zinc/30/60/97/462306097.db2.gz WJQFYSBMCDCTOD-RTWAWAEBSA-N 2 2 329.532 3.098 20 0 EGADLP c1c2cnccc2oc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000651731694 462318930 /nfs/dbraw/zinc/31/89/30/462318930.db2.gz VUSKTSOWEJBPDS-UHFFFAOYSA-N 2 2 343.471 3.200 20 0 EGADLP CC1(C)CC[N@H+](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000654657879 462325113 /nfs/dbraw/zinc/32/51/13/462325113.db2.gz GTRDEKWZSWGMEK-UHFFFAOYSA-N 2 2 332.835 3.196 20 0 EGADLP CC1(C)CC[N@@H+](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000654657879 462325117 /nfs/dbraw/zinc/32/51/17/462325117.db2.gz GTRDEKWZSWGMEK-UHFFFAOYSA-N 2 2 332.835 3.196 20 0 EGADLP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808163 462343101 /nfs/dbraw/zinc/34/31/01/462343101.db2.gz HVIIQRFZNFNRIM-GOSISDBHSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808163 462343105 /nfs/dbraw/zinc/34/31/05/462343105.db2.gz HVIIQRFZNFNRIM-GOSISDBHSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808163 462343108 /nfs/dbraw/zinc/34/31/08/462343108.db2.gz HVIIQRFZNFNRIM-GOSISDBHSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808163 462343111 /nfs/dbraw/zinc/34/31/11/462343111.db2.gz HVIIQRFZNFNRIM-GOSISDBHSA-N 2 2 335.923 3.249 20 0 EGADLP C[C@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000652038034 462414263 /nfs/dbraw/zinc/41/42/63/462414263.db2.gz HLWXYKMFYPFOKC-NRFANRHFSA-N 2 2 347.466 3.022 20 0 EGADLP C[C@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652038034 462414266 /nfs/dbraw/zinc/41/42/66/462414266.db2.gz HLWXYKMFYPFOKC-NRFANRHFSA-N 2 2 347.466 3.022 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000658186596 462423430 /nfs/dbraw/zinc/42/34/30/462423430.db2.gz IBPNRNMZZTVXRN-KSSFIOAISA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000658186596 462423434 /nfs/dbraw/zinc/42/34/34/462423434.db2.gz IBPNRNMZZTVXRN-KSSFIOAISA-N 2 2 329.444 3.170 20 0 EGADLP COc1ccc([C@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccn2)cc1 ZINC000652137330 462446576 /nfs/dbraw/zinc/44/65/76/462446576.db2.gz HGSQJDWRJNDGJP-FQEVSTJZSA-N 2 2 327.472 3.500 20 0 EGADLP COc1ccc([C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccn2)cc1 ZINC000652137330 462446579 /nfs/dbraw/zinc/44/65/79/462446579.db2.gz HGSQJDWRJNDGJP-FQEVSTJZSA-N 2 2 327.472 3.500 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000652151161 462452772 /nfs/dbraw/zinc/45/27/72/462452772.db2.gz KRCOKSYGOHIQGN-UZLBHIALSA-N 2 2 325.456 3.111 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652151161 462452775 /nfs/dbraw/zinc/45/27/75/462452775.db2.gz KRCOKSYGOHIQGN-UZLBHIALSA-N 2 2 325.456 3.111 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCS2 ZINC000658296627 462462723 /nfs/dbraw/zinc/46/27/23/462462723.db2.gz UNRSBZQKOYHYNT-YJBOKZPZSA-N 2 2 348.512 3.075 20 0 EGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658297141 462462752 /nfs/dbraw/zinc/46/27/52/462462752.db2.gz YMEFZWIWYWQQGI-CRAIPNDOSA-N 2 2 328.456 3.207 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000658296513 462463049 /nfs/dbraw/zinc/46/30/49/462463049.db2.gz SWFBOGYKDAXCSR-UZLBHIALSA-N 2 2 348.462 3.128 20 0 EGADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000649330585 462479315 /nfs/dbraw/zinc/47/93/15/462479315.db2.gz KBZDZJPNLLDWSQ-UHFFFAOYSA-N 2 2 346.500 3.231 20 0 EGADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000649330585 462479318 /nfs/dbraw/zinc/47/93/18/462479318.db2.gz KBZDZJPNLLDWSQ-UHFFFAOYSA-N 2 2 346.500 3.231 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1c(Cl)cccc1Cl)CCO2 ZINC000646102677 462518785 /nfs/dbraw/zinc/51/87/85/462518785.db2.gz NPSMCSVHYDGYEW-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c(Cl)cccc1Cl)CCO2 ZINC000646102677 462518787 /nfs/dbraw/zinc/51/87/87/462518787.db2.gz NPSMCSVHYDGYEW-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP COC(=O)c1coc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174403144 534314865 /nfs/dbraw/zinc/31/48/65/534314865.db2.gz ZGTAXVYTBDOWHT-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1coc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174403144 534314866 /nfs/dbraw/zinc/31/48/66/534314866.db2.gz ZGTAXVYTBDOWHT-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1coc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174403144 534314868 /nfs/dbraw/zinc/31/48/68/534314868.db2.gz ZGTAXVYTBDOWHT-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1coc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174403144 534314870 /nfs/dbraw/zinc/31/48/70/534314870.db2.gz ZGTAXVYTBDOWHT-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(CO)C[C@H]3c3ccc(F)cc3)n2c1 ZINC000428559195 518190223 /nfs/dbraw/zinc/19/02/23/518190223.db2.gz PKVKYFYNHIAWLI-ICSRJNTNSA-N 2 2 339.414 3.038 20 0 EGADLP CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC000185200952 534932917 /nfs/dbraw/zinc/93/29/17/534932917.db2.gz MACWWECZNZNETM-PMACEKPBSA-N 2 2 346.515 3.201 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246825924 535883626 /nfs/dbraw/zinc/88/36/26/535883626.db2.gz JIJPDAHEEXLFIV-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246825924 535883631 /nfs/dbraw/zinc/88/36/31/535883631.db2.gz JIJPDAHEEXLFIV-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246825924 535883635 /nfs/dbraw/zinc/88/36/35/535883635.db2.gz JIJPDAHEEXLFIV-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246825924 535883640 /nfs/dbraw/zinc/88/36/40/535883640.db2.gz JIJPDAHEEXLFIV-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000090401554 546655820 /nfs/dbraw/zinc/65/58/20/546655820.db2.gz XAVYZESZZJWPBB-INIZCTEOSA-N 2 2 344.528 3.314 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155436936 546902872 /nfs/dbraw/zinc/90/28/72/546902872.db2.gz FTFAQTADSKCWOV-IERDGZPVSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000155436936 546902875 /nfs/dbraw/zinc/90/28/75/546902875.db2.gz FTFAQTADSKCWOV-IERDGZPVSA-N 2 2 337.467 3.398 20 0 EGADLP C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157125741 546918049 /nfs/dbraw/zinc/91/80/49/546918049.db2.gz IGPNMZZKNDMDPO-ZDUSSCGKSA-N 2 2 327.457 3.246 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000189117225 547156896 /nfs/dbraw/zinc/15/68/96/547156896.db2.gz OTKJMNUNAQCTLH-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000189117225 547156901 /nfs/dbraw/zinc/15/69/01/547156901.db2.gz OTKJMNUNAQCTLH-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000189117225 547156904 /nfs/dbraw/zinc/15/69/04/547156904.db2.gz OTKJMNUNAQCTLH-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000189117225 547156910 /nfs/dbraw/zinc/15/69/10/547156910.db2.gz OTKJMNUNAQCTLH-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000194835934 547225433 /nfs/dbraw/zinc/22/54/33/547225433.db2.gz MPLGIXRHOFDTIU-QFBILLFUSA-N 2 2 332.488 3.019 20 0 EGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000194835934 547225437 /nfs/dbraw/zinc/22/54/37/547225437.db2.gz MPLGIXRHOFDTIU-QFBILLFUSA-N 2 2 332.488 3.019 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000279959446 547369014 /nfs/dbraw/zinc/36/90/14/547369014.db2.gz CEWDMTLSXXBDCV-QGZVFWFLSA-N 2 2 337.423 3.171 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000675829661 548991171 /nfs/dbraw/zinc/99/11/71/548991171.db2.gz LMJDKJYQVHIENB-HKUYNNGSSA-N 2 2 332.875 3.136 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)o1 ZINC000677471914 549275363 /nfs/dbraw/zinc/27/53/63/549275363.db2.gz LJJRJCIDMPOEIR-SFHVURJKSA-N 2 2 341.455 3.038 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)o1 ZINC000677471914 549275368 /nfs/dbraw/zinc/27/53/68/549275368.db2.gz LJJRJCIDMPOEIR-SFHVURJKSA-N 2 2 341.455 3.038 20 0 EGADLP CCCCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678258864 549448128 /nfs/dbraw/zinc/44/81/28/549448128.db2.gz QDBWMMXRKRFABH-FQEVSTJZSA-N 2 2 345.531 3.077 20 0 EGADLP CCCCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678258864 549448132 /nfs/dbraw/zinc/44/81/32/549448132.db2.gz QDBWMMXRKRFABH-FQEVSTJZSA-N 2 2 345.531 3.077 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3cccs3)c2cc1C ZINC000678586309 549525511 /nfs/dbraw/zinc/52/55/11/549525511.db2.gz DRYWCZYGCQQRIC-GJZGRUSLSA-N 2 2 329.469 3.426 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000679388933 549703055 /nfs/dbraw/zinc/70/30/55/549703055.db2.gz XSDULUFXRQHDJT-IBGZPJMESA-N 2 2 332.463 3.462 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000680040384 549809853 /nfs/dbraw/zinc/80/98/53/549809853.db2.gz YXDJHCKBQUKLTR-JEDBISTDSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000680040384 549809855 /nfs/dbraw/zinc/80/98/55/549809855.db2.gz YXDJHCKBQUKLTR-JEDBISTDSA-N 2 2 340.471 3.329 20 0 EGADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867234 549920942 /nfs/dbraw/zinc/92/09/42/549920942.db2.gz CGLHMDACAMHBAZ-BZWMRVRASA-N 2 2 349.563 3.124 20 0 EGADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867234 549920945 /nfs/dbraw/zinc/92/09/45/549920945.db2.gz CGLHMDACAMHBAZ-BZWMRVRASA-N 2 2 349.563 3.124 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000681698860 550028144 /nfs/dbraw/zinc/02/81/44/550028144.db2.gz LAGSAZXHJNTBCN-GOEBONIOSA-N 2 2 329.444 3.174 20 0 EGADLP COc1cc(C)c([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069758 550068811 /nfs/dbraw/zinc/06/88/11/550068811.db2.gz AAJUKPKFKYITKD-ROUUACIJSA-N 2 2 332.488 3.027 20 0 EGADLP COc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069758 550068812 /nfs/dbraw/zinc/06/88/12/550068812.db2.gz AAJUKPKFKYITKD-ROUUACIJSA-N 2 2 332.488 3.027 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c12 ZINC000682135262 550076915 /nfs/dbraw/zinc/07/69/15/550076915.db2.gz RFTVNPYLQJANOD-SFHVURJKSA-N 2 2 349.413 3.427 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000682780885 550144058 /nfs/dbraw/zinc/14/40/58/550144058.db2.gz OYQORGBVKLYGFI-IPMKNSEASA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000682780885 550144059 /nfs/dbraw/zinc/14/40/59/550144059.db2.gz OYQORGBVKLYGFI-IPMKNSEASA-N 2 2 325.456 3.373 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000682907961 550162209 /nfs/dbraw/zinc/16/22/09/550162209.db2.gz ZPLCSGAMMZKZOV-GUYCJALGSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000682907961 550162213 /nfs/dbraw/zinc/16/22/13/550162213.db2.gz ZPLCSGAMMZKZOV-GUYCJALGSA-N 2 2 337.305 3.454 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000684956996 550388388 /nfs/dbraw/zinc/38/83/88/550388388.db2.gz FOHCDXJCEPRMCR-MSOLQXFVSA-N 2 2 331.504 3.117 20 0 EGADLP c1ccc2c(c1)CC(C[NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000685840141 550447218 /nfs/dbraw/zinc/44/72/18/550447218.db2.gz HGYHOZLSEVPHEM-UHFFFAOYSA-N 2 2 336.479 3.023 20 0 EGADLP COCc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000685906082 550453306 /nfs/dbraw/zinc/45/33/06/550453306.db2.gz NYARUZFKSSDSQA-OAHLLOKOSA-N 2 2 331.435 3.487 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000727465560 574669574 /nfs/dbraw/zinc/66/95/74/574669574.db2.gz BSADHHWJPKAGBN-ULQDDVLXSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000727465560 574669575 /nfs/dbraw/zinc/66/95/75/574669575.db2.gz BSADHHWJPKAGBN-ULQDDVLXSA-N 2 2 339.524 3.238 20 0 EGADLP CCC(CC)[C@@H](CNc1nc(N2CCCC2)cc[nH+]1)[NH+]1CCCC1 ZINC000733186061 575317936 /nfs/dbraw/zinc/31/79/36/575317936.db2.gz QLPZQCZGDPYZCE-QGZVFWFLSA-N 2 2 331.508 3.389 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000735870955 575728749 /nfs/dbraw/zinc/72/87/49/575728749.db2.gz SWPWCEXSRHIMND-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000735870955 575728751 /nfs/dbraw/zinc/72/87/51/575728751.db2.gz SWPWCEXSRHIMND-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000735870955 575728753 /nfs/dbraw/zinc/72/87/53/575728753.db2.gz SWPWCEXSRHIMND-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000735870955 575728755 /nfs/dbraw/zinc/72/87/55/575728755.db2.gz SWPWCEXSRHIMND-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000742385650 576777322 /nfs/dbraw/zinc/77/73/22/576777322.db2.gz NOHANRWRFVJXPO-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000742385650 576777325 /nfs/dbraw/zinc/77/73/25/576777325.db2.gz NOHANRWRFVJXPO-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000079000421 1292539610 /nfs/dbraw/zinc/53/96/10/1292539610.db2.gz MWEIPBCPVZQFIP-KRWDZBQOSA-N 2 2 329.444 3.249 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C12CCC2 ZINC000834606430 1293122052 /nfs/dbraw/zinc/12/20/52/1293122052.db2.gz HXVUFBYRIMEWPT-RCCFBDPRSA-N 2 2 325.456 3.251 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615851 1293124034 /nfs/dbraw/zinc/12/40/34/1293124034.db2.gz JHYBGPOSKCRLLG-HOTGVXAUSA-N 2 2 348.491 3.261 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000121592040 1293379336 /nfs/dbraw/zinc/37/93/36/1293379336.db2.gz AVDDYNKBKQMBNX-FQEVSTJZSA-N 3 2 343.559 3.405 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000130770100 1293668001 /nfs/dbraw/zinc/66/80/01/1293668001.db2.gz FKYPGSQPDDUYKP-LBPRGKRZSA-N 2 2 340.393 3.024 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000130770100 1293668009 /nfs/dbraw/zinc/66/80/09/1293668009.db2.gz FKYPGSQPDDUYKP-LBPRGKRZSA-N 2 2 340.393 3.024 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2cc1F ZINC000153441428 1294014293 /nfs/dbraw/zinc/01/42/93/1294014293.db2.gz XSLNDYYJMZSMBE-CQSZACIVSA-N 2 2 334.414 3.222 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2cc1F ZINC000153441428 1294014297 /nfs/dbraw/zinc/01/42/97/1294014297.db2.gz XSLNDYYJMZSMBE-CQSZACIVSA-N 2 2 334.414 3.222 20 0 EGADLP CO[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)C ZINC000154961788 1294078385 /nfs/dbraw/zinc/07/83/85/1294078385.db2.gz CQFNDJSHBRKXAE-IBGZPJMESA-N 2 2 333.520 3.372 20 0 EGADLP Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)n2c1 ZINC000155564202 1294104003 /nfs/dbraw/zinc/10/40/03/1294104003.db2.gz WZLNXTXOENSUBC-UHFFFAOYSA-N 2 2 334.467 3.397 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000159605616 1294242259 /nfs/dbraw/zinc/24/22/59/1294242259.db2.gz RIRTVULUHOPDBV-PXNSSMCTSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000159605616 1294242264 /nfs/dbraw/zinc/24/22/64/1294242264.db2.gz RIRTVULUHOPDBV-PXNSSMCTSA-N 2 2 339.483 3.481 20 0 EGADLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000183888033 1295155377 /nfs/dbraw/zinc/15/53/77/1295155377.db2.gz FNBPNXRACMLNRE-HNNXBMFYSA-N 2 2 342.409 3.365 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185320847 1295256506 /nfs/dbraw/zinc/25/65/06/1295256506.db2.gz GTYCJYZVOJQJRR-ZDUSSCGKSA-N 2 2 348.834 3.436 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185320847 1295256514 /nfs/dbraw/zinc/25/65/14/1295256514.db2.gz GTYCJYZVOJQJRR-ZDUSSCGKSA-N 2 2 348.834 3.436 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(O)ccc2F)[C@H](C)C1 ZINC000872033550 1296681977 /nfs/dbraw/zinc/68/19/77/1296681977.db2.gz FGSIJUZNIDZDGN-CLCXKQKWSA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(O)ccc2F)[C@H](C)C1 ZINC000872033550 1296681994 /nfs/dbraw/zinc/68/19/94/1296681994.db2.gz FGSIJUZNIDZDGN-CLCXKQKWSA-N 2 2 338.467 3.319 20 0 EGADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(O)ccc1F ZINC000872072454 1296718392 /nfs/dbraw/zinc/71/83/92/1296718392.db2.gz GLLHADKWMSDXDQ-CQSZACIVSA-N 2 2 347.434 3.108 20 0 EGADLP CC[NH+](CC)[C@@H](c1nc([C@H]2C[NH+]3CCC2CC3)no1)c1ccccc1 ZINC000350065592 1297389674 /nfs/dbraw/zinc/38/96/74/1297389674.db2.gz ALKNJSBFEZQRAC-ZWKOTPCHSA-N 2 2 340.471 3.310 20 0 EGADLP CCOc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC(F)F ZINC000378904551 1297527391 /nfs/dbraw/zinc/52/73/91/1297527391.db2.gz DQMHTHZYBKYROH-LBPRGKRZSA-N 2 2 325.359 3.062 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000378957830 1297531100 /nfs/dbraw/zinc/53/11/00/1297531100.db2.gz NODBZZMVEYKUDD-ZIAGYGMSSA-N 2 2 346.418 3.251 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000378957830 1297531108 /nfs/dbraw/zinc/53/11/08/1297531108.db2.gz NODBZZMVEYKUDD-ZIAGYGMSSA-N 2 2 346.418 3.251 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000382468452 1297560996 /nfs/dbraw/zinc/56/09/96/1297560996.db2.gz GOWZZURZTKDFQF-HXUWFJFHSA-N 2 2 328.456 3.428 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000382468452 1297560999 /nfs/dbraw/zinc/56/09/99/1297560999.db2.gz GOWZZURZTKDFQF-HXUWFJFHSA-N 2 2 328.456 3.428 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000382629454 1297561565 /nfs/dbraw/zinc/56/15/65/1297561565.db2.gz NPBZDJJRUJKHML-YESZJQIVSA-N 2 2 341.540 3.388 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Br)C[C@@H]2C1 ZINC000388684910 1297603621 /nfs/dbraw/zinc/60/36/21/1297603621.db2.gz SJLNCBOPHZWPSZ-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)ccc3Br)C[C@@H]2C1 ZINC000388684910 1297603635 /nfs/dbraw/zinc/60/36/35/1297603635.db2.gz SJLNCBOPHZWPSZ-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Br)C[C@@H]2C1 ZINC000388684910 1297603643 /nfs/dbraw/zinc/60/36/43/1297603643.db2.gz SJLNCBOPHZWPSZ-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Br)C[C@@H]2C1 ZINC000388684910 1297603650 /nfs/dbraw/zinc/60/36/50/1297603650.db2.gz SJLNCBOPHZWPSZ-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548712 1297610437 /nfs/dbraw/zinc/61/04/37/1297610437.db2.gz NMGDOFHUBBXSED-IRXDYDNUSA-N 2 2 337.305 3.380 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548712 1297610442 /nfs/dbraw/zinc/61/04/42/1297610442.db2.gz NMGDOFHUBBXSED-IRXDYDNUSA-N 2 2 337.305 3.380 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000444791230 1297860835 /nfs/dbraw/zinc/86/08/35/1297860835.db2.gz KJDPJHRVKZVEDM-INIZCTEOSA-N 2 2 349.438 3.382 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000444791230 1297860840 /nfs/dbraw/zinc/86/08/40/1297860840.db2.gz KJDPJHRVKZVEDM-INIZCTEOSA-N 2 2 349.438 3.382 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525989 1298240559 /nfs/dbraw/zinc/24/05/59/1298240559.db2.gz DEMJCCUBDIRGLO-PKOBYXMFSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525989 1298240570 /nfs/dbraw/zinc/24/05/70/1298240570.db2.gz DEMJCCUBDIRGLO-PKOBYXMFSA-N 2 2 348.494 3.431 20 0 EGADLP CCCCC[C@@H](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000742669743 1298409096 /nfs/dbraw/zinc/40/90/96/1298409096.db2.gz AHAPUSOSMUEURY-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP CCCCC[C@@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000742669743 1298409108 /nfs/dbraw/zinc/40/91/08/1298409108.db2.gz AHAPUSOSMUEURY-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCn1cc[nH+]c1C ZINC000748096440 1298927892 /nfs/dbraw/zinc/92/78/92/1298927892.db2.gz UDJIDDVXFJSWPG-UHFFFAOYSA-N 2 2 343.862 3.188 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000749299265 1299188340 /nfs/dbraw/zinc/18/83/40/1299188340.db2.gz VIKKROVDTJBRGY-PXNSSMCTSA-N 2 2 327.472 3.152 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000749299265 1299188344 /nfs/dbraw/zinc/18/83/44/1299188344.db2.gz VIKKROVDTJBRGY-PXNSSMCTSA-N 2 2 327.472 3.152 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750391600 1299387049 /nfs/dbraw/zinc/38/70/49/1299387049.db2.gz ZFFRYJATXKYCKJ-UHFFFAOYSA-N 2 2 349.523 3.288 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877570019 1299406095 /nfs/dbraw/zinc/40/60/95/1299406095.db2.gz DMAKTRFLHIWJHP-NXOAAHMSSA-N 2 2 339.524 3.094 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2Br)C1 ZINC000878166700 1299791163 /nfs/dbraw/zinc/79/11/63/1299791163.db2.gz CLDXMUQYSKMJPE-AWEZNQCLSA-N 2 2 325.294 3.265 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2Br)C1 ZINC000878166700 1299791170 /nfs/dbraw/zinc/79/11/70/1299791170.db2.gz CLDXMUQYSKMJPE-AWEZNQCLSA-N 2 2 325.294 3.265 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000878166700 1299791176 /nfs/dbraw/zinc/79/11/76/1299791176.db2.gz CLDXMUQYSKMJPE-AWEZNQCLSA-N 2 2 325.294 3.265 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2Br)C1 ZINC000878166700 1299791183 /nfs/dbraw/zinc/79/11/83/1299791183.db2.gz CLDXMUQYSKMJPE-AWEZNQCLSA-N 2 2 325.294 3.265 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)co1 ZINC000878302817 1299904010 /nfs/dbraw/zinc/90/40/10/1299904010.db2.gz XXXPVRFQCYGLGF-CQSZACIVSA-N 2 2 338.411 3.073 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)co1 ZINC000878302817 1299904019 /nfs/dbraw/zinc/90/40/19/1299904019.db2.gz XXXPVRFQCYGLGF-CQSZACIVSA-N 2 2 338.411 3.073 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202853 1300298522 /nfs/dbraw/zinc/29/85/22/1300298522.db2.gz CLSCDGDGHLMUAT-AHRSYUTCSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202853 1300298530 /nfs/dbraw/zinc/29/85/30/1300298530.db2.gz CLSCDGDGHLMUAT-AHRSYUTCSA-N 2 2 349.563 3.218 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755206772 1300298743 /nfs/dbraw/zinc/29/87/43/1300298743.db2.gz MTBIMSGDQNMNMA-OALUTQOASA-N 2 2 335.536 3.138 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755206772 1300298750 /nfs/dbraw/zinc/29/87/50/1300298750.db2.gz MTBIMSGDQNMNMA-OALUTQOASA-N 2 2 335.536 3.138 20 0 EGADLP CN(C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC000880568338 1301164326 /nfs/dbraw/zinc/16/43/26/1301164326.db2.gz XDBZHEUGFBXXLH-IBGZPJMESA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571896 1301166308 /nfs/dbraw/zinc/16/63/08/1301166308.db2.gz VCJBAAVEVKFWBL-PKOBYXMFSA-N 2 2 342.487 3.107 20 0 EGADLP O=C(CCCn1cc[nH+]c1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882949242 1302177848 /nfs/dbraw/zinc/17/78/48/1302177848.db2.gz HVDQFCNQAAJCSE-UHFFFAOYSA-N 2 2 326.444 3.288 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000765472950 1302270371 /nfs/dbraw/zinc/27/03/71/1302270371.db2.gz UMLFGWMEVFOFOH-SFHVURJKSA-N 3 2 344.547 3.043 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000765472950 1302270379 /nfs/dbraw/zinc/27/03/79/1302270379.db2.gz UMLFGWMEVFOFOH-SFHVURJKSA-N 3 2 344.547 3.043 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791492 1302328390 /nfs/dbraw/zinc/32/83/90/1302328390.db2.gz LJOJKIAHBFVSJN-DQLDELGASA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791492 1302328403 /nfs/dbraw/zinc/32/84/03/1302328403.db2.gz LJOJKIAHBFVSJN-DQLDELGASA-N 2 2 337.467 3.262 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000766139061 1302399190 /nfs/dbraw/zinc/39/91/90/1302399190.db2.gz ITRIQOZKDHGDRL-XUVXKRRUSA-N 2 2 343.515 3.125 20 0 EGADLP COC[C@@H](CC(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191757 1302407375 /nfs/dbraw/zinc/40/73/75/1302407375.db2.gz PDNXTTQLCOFZRB-GOSISDBHSA-N 2 2 333.520 3.372 20 0 EGADLP COc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000883456227 1302451028 /nfs/dbraw/zinc/45/10/28/1302451028.db2.gz RVMGWNCDGOPOQM-NRFANRHFSA-N 2 2 348.450 3.027 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000766530006 1302469523 /nfs/dbraw/zinc/46/95/23/1302469523.db2.gz SBASLMABEXJXFZ-RTBURBONSA-N 2 2 331.504 3.125 20 0 EGADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000769544343 1303138540 /nfs/dbraw/zinc/13/85/40/1303138540.db2.gz VLQHUNCEGLLNEL-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000769544343 1303138548 /nfs/dbraw/zinc/13/85/48/1303138548.db2.gz VLQHUNCEGLLNEL-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769686993 1303158395 /nfs/dbraw/zinc/15/83/95/1303158395.db2.gz ZVCQBRTWZBWKLR-ARFHVFGLSA-N 2 2 327.513 3.142 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC000769688813 1303158961 /nfs/dbraw/zinc/15/89/61/1303158961.db2.gz CYYBXOZHQWTWJS-GVDBMIGSSA-N 2 2 341.540 3.388 20 0 EGADLP COc1cccc(COc2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)c1 ZINC000885896943 1303269937 /nfs/dbraw/zinc/26/99/37/1303269937.db2.gz ZJNGYVOQRUDSEH-UHFFFAOYSA-N 2 2 337.423 3.261 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2ncc(Cl)n2C)CC1)CC1CC1 ZINC000771475435 1303410393 /nfs/dbraw/zinc/41/03/93/1303410393.db2.gz KGLXMBDIZQULRC-UHFFFAOYSA-N 2 2 338.927 3.408 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2ncc(Cl)n2C)CC1)CC1CC1 ZINC000771475435 1303410395 /nfs/dbraw/zinc/41/03/95/1303410395.db2.gz KGLXMBDIZQULRC-UHFFFAOYSA-N 2 2 338.927 3.408 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)n1 ZINC000772357478 1303523519 /nfs/dbraw/zinc/52/35/19/1303523519.db2.gz JVOSIWNCXWXIKR-LBPRGKRZSA-N 2 2 326.510 3.090 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615442 1303525845 /nfs/dbraw/zinc/52/58/45/1303525845.db2.gz GLOBHDPYYXELHW-BEFAXECRSA-N 2 2 345.462 3.121 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615442 1303525849 /nfs/dbraw/zinc/52/58/49/1303525849.db2.gz GLOBHDPYYXELHW-BEFAXECRSA-N 2 2 345.462 3.121 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)[nH+]c1C ZINC000886664676 1303545142 /nfs/dbraw/zinc/54/51/42/1303545142.db2.gz UNLDZGJQAUDTRU-RDTXWAMCSA-N 2 2 346.519 3.243 20 0 EGADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664729 1303545697 /nfs/dbraw/zinc/54/56/97/1303545697.db2.gz WCHWCFCVHAOHGB-KRWDZBQOSA-N 2 2 327.428 3.120 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886867756 1303620155 /nfs/dbraw/zinc/62/01/55/1303620155.db2.gz MZTYMPVGRTXDNN-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886867756 1303620161 /nfs/dbraw/zinc/62/01/61/1303620161.db2.gz MZTYMPVGRTXDNN-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000887726623 1303910309 /nfs/dbraw/zinc/91/03/09/1303910309.db2.gz PTFOWJGSAZSSLS-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1OC ZINC000775622418 1303997047 /nfs/dbraw/zinc/99/70/47/1303997047.db2.gz CLZGQGBFRPKVIQ-GOSISDBHSA-N 2 2 348.487 3.154 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH2+][C@H](c2ccccc2)C(C)(C)C)C1 ZINC000783974719 1305171074 /nfs/dbraw/zinc/17/10/74/1305171074.db2.gz RRWNYEZIPNWKPO-QFBILLFUSA-N 2 2 340.471 3.071 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892235934 1305290938 /nfs/dbraw/zinc/29/09/38/1305290938.db2.gz PZTKDYZZKISQRH-AZUAARDMSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892235934 1305290942 /nfs/dbraw/zinc/29/09/42/1305290942.db2.gz PZTKDYZZKISQRH-AZUAARDMSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000892235934 1305290945 /nfs/dbraw/zinc/29/09/45/1305290945.db2.gz PZTKDYZZKISQRH-AZUAARDMSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000892235934 1305290947 /nfs/dbraw/zinc/29/09/47/1305290947.db2.gz PZTKDYZZKISQRH-AZUAARDMSA-N 2 2 328.504 3.132 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785744409 1305421047 /nfs/dbraw/zinc/42/10/47/1305421047.db2.gz VCHDANQGDXJYCN-HZPDHXFCSA-N 2 2 327.428 3.097 20 0 EGADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000893203076 1305759859 /nfs/dbraw/zinc/75/98/59/1305759859.db2.gz SNDDJFAESZYSDY-OAHLLOKOSA-N 2 2 328.460 3.256 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788242286 1305905018 /nfs/dbraw/zinc/90/50/18/1305905018.db2.gz DMBMKXMQFYFPNJ-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788242286 1305905023 /nfs/dbraw/zinc/90/50/23/1305905023.db2.gz DMBMKXMQFYFPNJ-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000788246418 1305906381 /nfs/dbraw/zinc/90/63/81/1305906381.db2.gz DDKJSDDFHRBBPA-OIISXLGYSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000788246418 1305906385 /nfs/dbraw/zinc/90/63/85/1305906385.db2.gz DDKJSDDFHRBBPA-OIISXLGYSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977799 1306160365 /nfs/dbraw/zinc/16/03/65/1306160365.db2.gz JKLNSQKFAWSNGJ-DOTOQJQBSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977799 1306160368 /nfs/dbraw/zinc/16/03/68/1306160368.db2.gz JKLNSQKFAWSNGJ-DOTOQJQBSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977799 1306160375 /nfs/dbraw/zinc/16/03/75/1306160375.db2.gz JKLNSQKFAWSNGJ-DOTOQJQBSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977799 1306160380 /nfs/dbraw/zinc/16/03/80/1306160380.db2.gz JKLNSQKFAWSNGJ-DOTOQJQBSA-N 2 2 344.455 3.472 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095446 1306216252 /nfs/dbraw/zinc/21/62/52/1306216252.db2.gz QUWJIFHCMIVPGG-UYAOXDASSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095446 1306216257 /nfs/dbraw/zinc/21/62/57/1306216257.db2.gz QUWJIFHCMIVPGG-UYAOXDASSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095446 1306216261 /nfs/dbraw/zinc/21/62/61/1306216261.db2.gz QUWJIFHCMIVPGG-UYAOXDASSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095446 1306216266 /nfs/dbraw/zinc/21/62/66/1306216266.db2.gz QUWJIFHCMIVPGG-UYAOXDASSA-N 2 2 338.499 3.486 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000895034895 1309166326 /nfs/dbraw/zinc/16/63/26/1309166326.db2.gz YVNHDNOZTZSCMS-DAXSKMNVSA-N 2 2 345.506 3.331 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000895034895 1309166331 /nfs/dbraw/zinc/16/63/31/1309166331.db2.gz YVNHDNOZTZSCMS-DAXSKMNVSA-N 2 2 345.506 3.331 20 0 EGADLP CC1=Nc2ccccc2C12CC[NH+](Cc1c[nH+]c(N(C)C)n1C)CC2 ZINC000895129591 1309201700 /nfs/dbraw/zinc/20/17/00/1309201700.db2.gz XNQLJNAZRWOZPD-UHFFFAOYSA-N 2 2 337.471 3.126 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000796702342 1310067519 /nfs/dbraw/zinc/06/75/19/1310067519.db2.gz MJLNEHHZRQMWRE-QAPCUYQASA-N 2 2 338.459 3.229 20 0 EGADLP CC[C@@H](C)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824597696 1320269018 /nfs/dbraw/zinc/26/90/18/1320269018.db2.gz WOGRIHYSDNTXME-UZLBHIALSA-N 2 2 333.520 3.372 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CC3=CCCCC3)C2)c(C)[nH+]1 ZINC001019171571 1317086446 /nfs/dbraw/zinc/08/64/46/1317086446.db2.gz CYWMXWQOYJOVAB-SFHVURJKSA-N 2 2 327.472 3.311 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001019448651 1317249869 /nfs/dbraw/zinc/24/98/69/1317249869.db2.gz HSUQSPGXXMSGAN-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880266 1317351801 /nfs/dbraw/zinc/35/18/01/1317351801.db2.gz CXPSYFDJZUQVRK-WDYCEAGBSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880266 1317351807 /nfs/dbraw/zinc/35/18/07/1317351807.db2.gz CXPSYFDJZUQVRK-WDYCEAGBSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000806132579 1317463532 /nfs/dbraw/zinc/46/35/32/1317463532.db2.gz XQKVTTLTNGPRPJ-QAPCUYQASA-N 2 2 338.459 3.229 20 0 EGADLP CC(C)CC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586714 1317479040 /nfs/dbraw/zinc/47/90/40/1317479040.db2.gz PUXZFKILCXSTKY-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957611720 1317496177 /nfs/dbraw/zinc/49/61/77/1317496177.db2.gz BEAGYUAZXITBCU-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CNc1ccccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000902339024 1317565619 /nfs/dbraw/zinc/56/56/19/1317565619.db2.gz PMVTWSLGQXQBKC-UHFFFAOYSA-N 2 2 339.487 3.266 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1OC ZINC000902436086 1317577505 /nfs/dbraw/zinc/57/75/05/1317577505.db2.gz WYYJSIBVSQSBIK-BOFPYLFWSA-N 2 2 326.440 3.288 20 0 EGADLP CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001020296151 1317632483 /nfs/dbraw/zinc/63/24/83/1317632483.db2.gz HJCIUQFLEIBHPJ-IYARVYRRSA-N 2 2 348.450 3.176 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001020388715 1317675627 /nfs/dbraw/zinc/67/56/27/1317675627.db2.gz IFICDJOEZCYIPM-BZSNNMDCSA-N 2 2 348.450 3.336 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCC3)C2)c(C)[nH+]1 ZINC001020413750 1317686321 /nfs/dbraw/zinc/68/63/21/1317686321.db2.gz IRUXUPQAQVLXBL-IYARVYRRSA-N 2 2 329.488 3.438 20 0 EGADLP c1nnc([C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2ccccc2)[nH]1 ZINC000808700074 1317717228 /nfs/dbraw/zinc/71/72/28/1317717228.db2.gz BMHFXHCOHCTVHI-ACBHZAAOSA-N 2 2 339.487 3.281 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814055 1317736057 /nfs/dbraw/zinc/73/60/57/1317736057.db2.gz JPMGXVRUWRNRFQ-QGZVFWFLSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814055 1317736062 /nfs/dbraw/zinc/73/60/62/1317736062.db2.gz JPMGXVRUWRNRFQ-QGZVFWFLSA-N 2 2 329.488 3.225 20 0 EGADLP Clc1ccc([C@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903884200 1317740674 /nfs/dbraw/zinc/74/06/74/1317740674.db2.gz USVFEIFRAKNXTR-SJLPKXTDSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccc([C@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903884200 1317740677 /nfs/dbraw/zinc/74/06/77/1317740677.db2.gz USVFEIFRAKNXTR-SJLPKXTDSA-N 2 2 345.878 3.193 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1Cl ZINC000858245939 1328721171 /nfs/dbraw/zinc/72/11/71/1328721171.db2.gz ZADPGACAONNSTL-HNNXBMFYSA-N 2 2 326.916 3.467 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245939 1328721174 /nfs/dbraw/zinc/72/11/74/1328721174.db2.gz ZADPGACAONNSTL-HNNXBMFYSA-N 2 2 326.916 3.467 20 0 EGADLP CC1CCN(C(=O)C2CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC2)CC1 ZINC000904335559 1317832939 /nfs/dbraw/zinc/83/29/39/1317832939.db2.gz GBJCEVZMPAURLP-SFHVURJKSA-N 2 2 337.552 3.111 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC000904385020 1317839974 /nfs/dbraw/zinc/83/99/74/1317839974.db2.gz SEJKKNDMKIGKBH-UHFFFAOYSA-N 2 2 344.430 3.164 20 0 EGADLP Cn1c(Cl)nc(Cl)c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904412664 1317844851 /nfs/dbraw/zinc/84/48/51/1317844851.db2.gz WBCWYYMQSWWHAI-LBPRGKRZSA-N 2 2 345.318 3.329 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671986 1318786229 /nfs/dbraw/zinc/78/62/29/1318786229.db2.gz LAQAKNIBKMQADX-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671986 1318786231 /nfs/dbraw/zinc/78/62/31/1318786231.db2.gz LAQAKNIBKMQADX-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671986 1318786236 /nfs/dbraw/zinc/78/62/36/1318786236.db2.gz LAQAKNIBKMQADX-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671986 1318786241 /nfs/dbraw/zinc/78/62/41/1318786241.db2.gz LAQAKNIBKMQADX-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056995 1318876893 /nfs/dbraw/zinc/87/68/93/1318876893.db2.gz KZOAVNAWFPIRKH-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056995 1318876900 /nfs/dbraw/zinc/87/69/00/1318876900.db2.gz KZOAVNAWFPIRKH-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056995 1318876906 /nfs/dbraw/zinc/87/69/06/1318876906.db2.gz KZOAVNAWFPIRKH-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056995 1318876914 /nfs/dbraw/zinc/87/69/14/1318876914.db2.gz KZOAVNAWFPIRKH-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1ccc2ccccc2c1 ZINC001022775032 1319100397 /nfs/dbraw/zinc/10/03/97/1319100397.db2.gz GVUGKKLRPPHTQO-ZOCIIQOWSA-N 2 2 348.450 3.103 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190606 1319305048 /nfs/dbraw/zinc/30/50/48/1319305048.db2.gz SEBPLWUQWPJNOU-JKSUJKDBSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190606 1319305059 /nfs/dbraw/zinc/30/50/59/1319305059.db2.gz SEBPLWUQWPJNOU-JKSUJKDBSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000817902141 1319455144 /nfs/dbraw/zinc/45/51/44/1319455144.db2.gz JGXQPASUYIRVIN-CZAAIQMYSA-N 2 2 340.467 3.029 20 0 EGADLP [NH3+]C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc2ccccc2c1 ZINC000817970891 1319481280 /nfs/dbraw/zinc/48/12/80/1319481280.db2.gz GUUHDAMFYZYCBO-LJQANCHMSA-N 2 2 326.440 3.115 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2N2CCCCC2)C[C@H](C)O1 ZINC000818340383 1319528895 /nfs/dbraw/zinc/52/88/95/1319528895.db2.gz LTLMYXJZCNENST-KDURUIRLSA-N 2 2 345.531 3.266 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2N2CCCCC2)C[C@H](C)O1 ZINC000818340383 1319528903 /nfs/dbraw/zinc/52/89/03/1319528903.db2.gz LTLMYXJZCNENST-KDURUIRLSA-N 2 2 345.531 3.266 20 0 EGADLP C[C@@H]([NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC000961989142 1319794214 /nfs/dbraw/zinc/79/42/14/1319794214.db2.gz UDJTWBHPNGWVIR-KSTDHSDQSA-N 2 2 348.450 3.422 20 0 EGADLP CC[N@H+](CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1CC1 ZINC000823753461 1320203465 /nfs/dbraw/zinc/20/34/65/1320203465.db2.gz WLUSMIAMGBMFHD-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1CC1 ZINC000823753461 1320203467 /nfs/dbraw/zinc/20/34/67/1320203467.db2.gz WLUSMIAMGBMFHD-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000823944233 1320217180 /nfs/dbraw/zinc/21/71/80/1320217180.db2.gz UHNGHORWAWRECR-PXNSSMCTSA-N 2 2 331.504 3.269 20 0 EGADLP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000826872403 1320411100 /nfs/dbraw/zinc/41/11/00/1320411100.db2.gz MBKPDWFOSMVKBZ-PCKAHOCUSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000826872403 1320411102 /nfs/dbraw/zinc/41/11/02/1320411102.db2.gz MBKPDWFOSMVKBZ-PCKAHOCUSA-N 2 2 339.524 3.142 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000839136562 1320878260 /nfs/dbraw/zinc/87/82/60/1320878260.db2.gz RBBHFGHRDCLBSN-UHFFFAOYSA-N 2 2 344.459 3.137 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000839136562 1320878269 /nfs/dbraw/zinc/87/82/69/1320878269.db2.gz RBBHFGHRDCLBSN-UHFFFAOYSA-N 2 2 344.459 3.137 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000839606905 1320944457 /nfs/dbraw/zinc/94/44/57/1320944457.db2.gz CQDNEZNYIVIWOV-GOSISDBHSA-N 2 2 330.472 3.198 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000839606905 1320944460 /nfs/dbraw/zinc/94/44/60/1320944460.db2.gz CQDNEZNYIVIWOV-GOSISDBHSA-N 2 2 330.472 3.198 20 0 EGADLP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000930680331 1328935095 /nfs/dbraw/zinc/93/50/95/1328935095.db2.gz GZNAAGKEKZEDKD-UHFFFAOYSA-N 2 2 348.450 3.205 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841056976 1321211369 /nfs/dbraw/zinc/21/13/69/1321211369.db2.gz GOAHJMVFRBYPCL-MRXNPFEDSA-N 2 2 332.879 3.125 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843050898 1321462434 /nfs/dbraw/zinc/46/24/34/1321462434.db2.gz ARHPBKZFFTVLJO-RHSMWYFYSA-N 2 2 346.906 3.452 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843050898 1321462436 /nfs/dbraw/zinc/46/24/36/1321462436.db2.gz ARHPBKZFFTVLJO-RHSMWYFYSA-N 2 2 346.906 3.452 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@@H]1[NH3+] ZINC000843053620 1321463234 /nfs/dbraw/zinc/46/32/34/1321463234.db2.gz OTQPLCLPXADEQT-WFASDCNBSA-N 2 2 335.883 3.225 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@@H]1[NH3+] ZINC000843053620 1321463238 /nfs/dbraw/zinc/46/32/38/1321463238.db2.gz OTQPLCLPXADEQT-WFASDCNBSA-N 2 2 335.883 3.225 20 0 EGADLP c1cn(Cc2cccc(-c3noc(CC4C[C@H]5CC[C@@H](C4)[NH2+]5)n3)c2)c[nH+]1 ZINC000843178125 1321482499 /nfs/dbraw/zinc/48/24/99/1321482499.db2.gz IZAWDXCDDBIOQV-ZNXRZULTSA-N 2 2 349.438 3.055 20 0 EGADLP C[C@@H](CC(=O)OC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845476250 1321711347 /nfs/dbraw/zinc/71/13/47/1321711347.db2.gz DIQJWGXVQADWGU-PXNSSMCTSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@@H](CC(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845476250 1321711350 /nfs/dbraw/zinc/71/13/50/1321711350.db2.gz DIQJWGXVQADWGU-PXNSSMCTSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@@H](CC(=O)O[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508871 1321714690 /nfs/dbraw/zinc/71/46/90/1321714690.db2.gz KMSMKTSRIYZQGW-LNLFQRSKSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@@H](CC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508871 1321714695 /nfs/dbraw/zinc/71/46/95/1321714695.db2.gz KMSMKTSRIYZQGW-LNLFQRSKSA-N 2 2 341.455 3.288 20 0 EGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145623 1321771176 /nfs/dbraw/zinc/77/11/76/1321771176.db2.gz MAYISPRGSYHXTM-GOEBONIOSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145623 1321771178 /nfs/dbraw/zinc/77/11/78/1321771178.db2.gz MAYISPRGSYHXTM-GOEBONIOSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])NCc1ccc(C)cc1)c1ccco1 ZINC000849050785 1322059010 /nfs/dbraw/zinc/05/90/10/1322059010.db2.gz IGYLKIRJVYZLRP-NVXWUHKLSA-N 2 2 328.460 3.331 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000849062945 1322062931 /nfs/dbraw/zinc/06/29/31/1322062931.db2.gz HCDLDWPYEOVYJX-SFHVURJKSA-N 2 2 328.435 3.051 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c(F)c1 ZINC000920425479 1322176028 /nfs/dbraw/zinc/17/60/28/1322176028.db2.gz LGQSLPPIPMUQCC-GOSISDBHSA-N 2 2 347.340 3.113 20 0 EGADLP Cc1[nH]c(CNc2ccc(N(C)C3CC[NH+](C)CC3)cc2)[nH+]c1C ZINC000850059217 1322188130 /nfs/dbraw/zinc/18/81/30/1322188130.db2.gz JHAZOBAKNPCZOR-UHFFFAOYSA-N 2 2 327.476 3.169 20 0 EGADLP Cc1[nH]c(CNc2ccc(OCC[NH+]3CCCC3)c(C)c2)[nH+]c1C ZINC000850147758 1322199325 /nfs/dbraw/zinc/19/93/25/1322199325.db2.gz YIGBSNRYYXVRGN-UHFFFAOYSA-N 2 2 328.460 3.422 20 0 EGADLP OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924622121 1323079334 /nfs/dbraw/zinc/07/93/34/1323079334.db2.gz AFTULMOUWBMPIZ-YLJYHZDGSA-N 2 2 327.472 3.352 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CCN1Cc1ccccc1 ZINC000924645523 1323090740 /nfs/dbraw/zinc/09/07/40/1323090740.db2.gz KRMCIQGOKAHMCM-XLIONFOSSA-N 2 2 338.499 3.015 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cc(CO)on1 ZINC000924673791 1323106224 /nfs/dbraw/zinc/10/62/24/1323106224.db2.gz YGSDYIRPKSTMEM-HZPDHXFCSA-N 2 2 343.471 3.392 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cc(CO)on1 ZINC000924673791 1323106229 /nfs/dbraw/zinc/10/62/29/1323106229.db2.gz YGSDYIRPKSTMEM-HZPDHXFCSA-N 2 2 343.471 3.392 20 0 EGADLP O[C@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000852115373 1323150520 /nfs/dbraw/zinc/15/05/20/1323150520.db2.gz OKKPQPUIQDVSFQ-HXUWFJFHSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c2ncnn21 ZINC000924860047 1323190992 /nfs/dbraw/zinc/19/09/92/1323190992.db2.gz IEDXUIHECHGCJZ-VQIMIIECSA-N 2 2 339.487 3.450 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647579 1323573530 /nfs/dbraw/zinc/57/35/30/1323573530.db2.gz PKQKVXSDRDEGMY-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647579 1323573537 /nfs/dbraw/zinc/57/35/37/1323573537.db2.gz PKQKVXSDRDEGMY-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001025026037 1323832291 /nfs/dbraw/zinc/83/22/91/1323832291.db2.gz MNTPMHGYGWVSNX-GOSISDBHSA-N 2 2 329.488 3.391 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001025035117 1323838904 /nfs/dbraw/zinc/83/89/04/1323838904.db2.gz GSVHHXDNYUGSQE-PKOBYXMFSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001025103282 1323897367 /nfs/dbraw/zinc/89/73/67/1323897367.db2.gz QLFKYPTYIUWLAZ-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1ccc([C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[NH+]2CCCC2)o1 ZINC000931471775 1329125984 /nfs/dbraw/zinc/12/59/84/1329125984.db2.gz PIPCXINPWVOECP-KRWDZBQOSA-N 2 2 338.411 3.031 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290067 1324115123 /nfs/dbraw/zinc/11/51/23/1324115123.db2.gz XOVVTMAEXDISIO-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290067 1324115127 /nfs/dbraw/zinc/11/51/27/1324115127.db2.gz XOVVTMAEXDISIO-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP c1ccc(CON2CCC([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000925233051 1325089031 /nfs/dbraw/zinc/08/90/31/1325089031.db2.gz QSCKGSXCYFVGAP-UHFFFAOYSA-N 2 2 340.471 3.069 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925495289 1325176984 /nfs/dbraw/zinc/17/69/84/1325176984.db2.gz TWYCLIJLRYKVEG-FCHUYYIVSA-N 3 2 341.543 3.409 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506094 1325181873 /nfs/dbraw/zinc/18/18/73/1325181873.db2.gz XMGQDKJIHXVWQH-QFIDOLFYSA-N 3 2 327.516 3.331 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925554691 1325206154 /nfs/dbraw/zinc/20/61/54/1325206154.db2.gz CYRBKPZZRAPUNC-VQTJNVASSA-N 2 2 340.467 3.029 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925557903 1325207952 /nfs/dbraw/zinc/20/79/52/1325207952.db2.gz QJXHFBAJPQHBGS-NDXORKPFSA-N 2 2 340.467 3.029 20 0 EGADLP CN1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631101 1325239555 /nfs/dbraw/zinc/23/95/55/1325239555.db2.gz UQPNCRKRJALJHQ-KBRIMQKVSA-N 2 2 339.886 3.202 20 0 EGADLP CCc1nc2cc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)ccc2n1C1CC1 ZINC000925665162 1325254287 /nfs/dbraw/zinc/25/42/87/1325254287.db2.gz JFKDMOAIPSOBRP-WAQIHRDZSA-N 2 2 336.483 3.020 20 0 EGADLP CCc1nc2cc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)ccc2n1C1CC1 ZINC000925665160 1325254351 /nfs/dbraw/zinc/25/43/51/1325254351.db2.gz JFKDMOAIPSOBRP-QITMRDMXSA-N 2 2 336.483 3.020 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925791532 1325301811 /nfs/dbraw/zinc/30/18/11/1325301811.db2.gz AMLAMTANJRPVDZ-HIFRSBDPSA-N 2 2 340.414 3.097 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793268 1325303702 /nfs/dbraw/zinc/30/37/02/1325303702.db2.gz HYMPPXSNWQEMNM-SJLPKXTDSA-N 2 2 332.488 3.283 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(Cl)c1 ZINC000925794431 1325303779 /nfs/dbraw/zinc/30/37/79/1325303779.db2.gz LNMQYHXNZQQXTQ-JSGCOSHPSA-N 2 2 326.843 3.288 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC000964206043 1325487287 /nfs/dbraw/zinc/48/72/87/1325487287.db2.gz CHTHDPGJYWVVJP-UHFFFAOYSA-N 2 2 346.519 3.237 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926464273 1325563595 /nfs/dbraw/zinc/56/35/95/1325563595.db2.gz RQIWENOCELPKDU-KPFFTGBYSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926464273 1325563606 /nfs/dbraw/zinc/56/36/06/1325563606.db2.gz RQIWENOCELPKDU-KPFFTGBYSA-N 2 2 331.479 3.259 20 0 EGADLP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509944 1327775614 /nfs/dbraw/zinc/77/56/14/1327775614.db2.gz KRCMHWIMNHZQAW-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509944 1327775621 /nfs/dbraw/zinc/77/56/21/1327775621.db2.gz KRCMHWIMNHZQAW-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027664102 1328053873 /nfs/dbraw/zinc/05/38/73/1328053873.db2.gz PLEJFPHFJLBFDT-SFHVURJKSA-N 2 2 344.503 3.074 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027664102 1328053881 /nfs/dbraw/zinc/05/38/81/1328053881.db2.gz PLEJFPHFJLBFDT-SFHVURJKSA-N 2 2 344.503 3.074 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCC3)ccn12 ZINC001027883296 1328350932 /nfs/dbraw/zinc/35/09/32/1328350932.db2.gz IZJMTNXYKFLTDJ-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@H+]3CC3CCCC3)ccn12 ZINC001027883296 1328350939 /nfs/dbraw/zinc/35/09/39/1328350939.db2.gz IZJMTNXYKFLTDJ-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054244 1328519805 /nfs/dbraw/zinc/51/98/05/1328519805.db2.gz USXGWYCUIFQMFE-LJQANCHMSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054244 1328519808 /nfs/dbraw/zinc/51/98/08/1328519808.db2.gz USXGWYCUIFQMFE-LJQANCHMSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865450273 1329699175 /nfs/dbraw/zinc/69/91/75/1329699175.db2.gz NMLKSGWIFSFFAX-CYBMUJFWSA-N 2 2 326.282 3.054 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865450273 1329699176 /nfs/dbraw/zinc/69/91/76/1329699176.db2.gz NMLKSGWIFSFFAX-CYBMUJFWSA-N 2 2 326.282 3.054 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865804753 1329739918 /nfs/dbraw/zinc/73/99/18/1329739918.db2.gz GUZHKULJUCUQIW-QGZVFWFLSA-N 2 2 347.469 3.400 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865804753 1329739919 /nfs/dbraw/zinc/73/99/19/1329739919.db2.gz GUZHKULJUCUQIW-QGZVFWFLSA-N 2 2 347.469 3.400 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCC4(CC3)CC[NH+](C)CC4)[nH+]cn2)C1 ZINC000866055170 1330060536 /nfs/dbraw/zinc/06/05/36/1330060536.db2.gz PXSXDMQLDXDUSS-KRWDZBQOSA-N 2 2 343.519 3.025 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCC4(CC3)CC[NH+](C)CC4)nc[nH+]2)C1 ZINC000866055170 1330060538 /nfs/dbraw/zinc/06/05/38/1330060538.db2.gz PXSXDMQLDXDUSS-KRWDZBQOSA-N 2 2 343.519 3.025 20 0 EGADLP CC1(C)C[N@H+](CC2CCCCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060315 1331313443 /nfs/dbraw/zinc/31/34/43/1331313443.db2.gz FCOZEPOOHMHQNM-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CC2CCCCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060315 1331313444 /nfs/dbraw/zinc/31/34/44/1331313444.db2.gz FCOZEPOOHMHQNM-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947863139 1333284297 /nfs/dbraw/zinc/28/42/97/1333284297.db2.gz XBTVQVFZRFTZSX-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCC1CCCCCC1 ZINC000947863139 1333284300 /nfs/dbraw/zinc/28/43/00/1333284300.db2.gz XBTVQVFZRFTZSX-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947979539 1333330634 /nfs/dbraw/zinc/33/06/34/1333330634.db2.gz IGHSBHCDHBCRAZ-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947979539 1333330637 /nfs/dbraw/zinc/33/06/37/1333330637.db2.gz IGHSBHCDHBCRAZ-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617034 1333598036 /nfs/dbraw/zinc/59/80/36/1333598036.db2.gz MKRAOVUEEATTBE-HOTGVXAUSA-N 2 2 346.450 3.009 20 0 EGADLP CC[C@H](F)C[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617034 1333598041 /nfs/dbraw/zinc/59/80/41/1333598041.db2.gz MKRAOVUEEATTBE-HOTGVXAUSA-N 2 2 346.450 3.009 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948886565 1333719362 /nfs/dbraw/zinc/71/93/62/1333719362.db2.gz OQYIGQRHEUFFJL-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948886565 1333719364 /nfs/dbraw/zinc/71/93/64/1333719364.db2.gz OQYIGQRHEUFFJL-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933530 1333739953 /nfs/dbraw/zinc/73/99/53/1333739953.db2.gz ZQFIYZVEOOXBKO-HXUWFJFHSA-N 2 2 348.450 3.302 20 0 EGADLP CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933530 1333739956 /nfs/dbraw/zinc/73/99/56/1333739956.db2.gz ZQFIYZVEOOXBKO-HXUWFJFHSA-N 2 2 348.450 3.302 20 0 EGADLP C[C@H](CC(=O)N1CC[NH+](CCC2CCCCCC2)CC1)n1cc[nH+]c1 ZINC000950962595 1334161446 /nfs/dbraw/zinc/16/14/46/1334161446.db2.gz SRGLUAMEOVYINB-GOSISDBHSA-N 2 2 346.519 3.339 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000969317360 1336199945 /nfs/dbraw/zinc/19/99/45/1336199945.db2.gz ASGGQRZMNSJBHQ-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CC4CCCCC4)C3)ccn12 ZINC001014448462 1337780666 /nfs/dbraw/zinc/78/06/66/1337780666.db2.gz VNLLZNUKQVTLAW-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CC4CCCCC4)C3)ccn12 ZINC001014448462 1337780668 /nfs/dbraw/zinc/78/06/68/1337780668.db2.gz VNLLZNUKQVTLAW-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017141627 1338893572 /nfs/dbraw/zinc/89/35/72/1338893572.db2.gz LGNCIUJZYRRHJD-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017141627 1338893578 /nfs/dbraw/zinc/89/35/78/1338893578.db2.gz LGNCIUJZYRRHJD-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017141627 1338893583 /nfs/dbraw/zinc/89/35/83/1338893583.db2.gz LGNCIUJZYRRHJD-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017141627 1338893590 /nfs/dbraw/zinc/89/35/90/1338893590.db2.gz LGNCIUJZYRRHJD-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001017263337 1338989349 /nfs/dbraw/zinc/98/93/49/1338989349.db2.gz KQIUUADUCOIZAE-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001017263337 1338989352 /nfs/dbraw/zinc/98/93/52/1338989352.db2.gz KQIUUADUCOIZAE-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029105983 1340931492 /nfs/dbraw/zinc/93/14/92/1340931492.db2.gz GLXGDQAQUAOESK-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029105983 1340931493 /nfs/dbraw/zinc/93/14/93/1340931493.db2.gz GLXGDQAQUAOESK-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032232 1341162459 /nfs/dbraw/zinc/16/24/59/1341162459.db2.gz IYHZWGHBJZVBJY-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032232 1341162460 /nfs/dbraw/zinc/16/24/60/1341162460.db2.gz IYHZWGHBJZVBJY-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032232 1341162461 /nfs/dbraw/zinc/16/24/61/1341162461.db2.gz IYHZWGHBJZVBJY-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032232 1341162462 /nfs/dbraw/zinc/16/24/62/1341162462.db2.gz IYHZWGHBJZVBJY-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC001031034824 1341267895 /nfs/dbraw/zinc/26/78/95/1341267895.db2.gz GCDPHZPRGOWPDL-DLBZAZTESA-N 2 2 346.519 3.023 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031045352 1341269277 /nfs/dbraw/zinc/26/92/77/1341269277.db2.gz LWPNGRRTBSVDAG-MSOLQXFVSA-N 2 2 343.515 3.121 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033192207 1341748503 /nfs/dbraw/zinc/74/85/03/1341748503.db2.gz OSVLDPZUEMOEEV-MRXNPFEDSA-N 2 2 340.471 3.145 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033192207 1341748504 /nfs/dbraw/zinc/74/85/04/1341748504.db2.gz OSVLDPZUEMOEEV-MRXNPFEDSA-N 2 2 340.471 3.145 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206478 1342317055 /nfs/dbraw/zinc/31/70/55/1342317055.db2.gz IXYCYHXBWSPADG-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206478 1342317058 /nfs/dbraw/zinc/31/70/58/1342317058.db2.gz IXYCYHXBWSPADG-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001034801303 1342766872 /nfs/dbraw/zinc/76/68/72/1342766872.db2.gz JSSNUEGYTFUJEX-FCGDIQPGSA-N 2 2 346.519 3.117 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC001034801996 1342766895 /nfs/dbraw/zinc/76/68/95/1342766895.db2.gz SRLDJIOOUWTSAM-GUDVDZBRSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001034801306 1342767271 /nfs/dbraw/zinc/76/72/71/1342767271.db2.gz JSSNUEGYTFUJEX-NCXUSEDFSA-N 2 2 346.519 3.117 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC001035005561 1342872470 /nfs/dbraw/zinc/87/24/70/1342872470.db2.gz ARNZEGSSQYYQPY-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001036473834 1343504537 /nfs/dbraw/zinc/50/45/37/1343504537.db2.gz VOPGJBAGBZYGME-RDJZCZTQSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CC1CCCCCC1 ZINC001036600445 1343570834 /nfs/dbraw/zinc/57/08/34/1343570834.db2.gz AHRSDZURBMNTIR-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC2)c(C)[nH+]1 ZINC001037218325 1344050589 /nfs/dbraw/zinc/05/05/89/1344050589.db2.gz XQFGUWCBSKMANY-QZTJIDSGSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CC(C)C ZINC001037886265 1344161114 /nfs/dbraw/zinc/16/11/14/1344161114.db2.gz XHSGSFWCBUNKAK-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182829 1345368205 /nfs/dbraw/zinc/36/82/05/1345368205.db2.gz ZASFXIGLQDLVOT-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182829 1345368207 /nfs/dbraw/zinc/36/82/07/1345368207.db2.gz ZASFXIGLQDLVOT-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264703 1345402407 /nfs/dbraw/zinc/40/24/07/1345402407.db2.gz QEWGYKNMDUYWAL-HXUWFJFHSA-N 2 2 340.471 3.291 20 0 EGADLP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264703 1345402409 /nfs/dbraw/zinc/40/24/09/1345402409.db2.gz QEWGYKNMDUYWAL-HXUWFJFHSA-N 2 2 340.471 3.291 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319606 1345429452 /nfs/dbraw/zinc/42/94/52/1345429452.db2.gz IEALOSTVBIYDJF-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319606 1345429455 /nfs/dbraw/zinc/42/94/55/1345429455.db2.gz IEALOSTVBIYDJF-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493510 1345519120 /nfs/dbraw/zinc/51/91/20/1345519120.db2.gz MRVFLQKOTIQXNO-JXFKEZNVSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493510 1345519121 /nfs/dbraw/zinc/51/91/21/1345519121.db2.gz MRVFLQKOTIQXNO-JXFKEZNVSA-N 2 2 346.519 3.048 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001040926962 1345602912 /nfs/dbraw/zinc/60/29/12/1345602912.db2.gz PMHHVYWLNOGFAS-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787946 1345850381 /nfs/dbraw/zinc/85/03/81/1345850381.db2.gz USJKNFHMVRLDQW-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787946 1345850385 /nfs/dbraw/zinc/85/03/85/1345850385.db2.gz USJKNFHMVRLDQW-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001042710660 1346108808 /nfs/dbraw/zinc/10/88/08/1346108808.db2.gz IEUFSUKDBKCZEH-XLIONFOSSA-N 2 2 343.515 3.071 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001042710660 1346108809 /nfs/dbraw/zinc/10/88/09/1346108809.db2.gz IEUFSUKDBKCZEH-XLIONFOSSA-N 2 2 343.515 3.071 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001043092338 1346139467 /nfs/dbraw/zinc/13/94/67/1346139467.db2.gz UJNVMYPDDYMGSD-FQEVSTJZSA-N 2 2 346.434 3.007 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CC4CCC4)C[C@@H]3C)ccn12 ZINC001044604663 1346380734 /nfs/dbraw/zinc/38/07/34/1346380734.db2.gz LJNCJQCBVCUBAG-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878672 1346452978 /nfs/dbraw/zinc/45/29/78/1346452978.db2.gz MSEJQLWDAARLPU-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)c[nH+]1 ZINC001045087213 1346491910 /nfs/dbraw/zinc/49/19/10/1346491910.db2.gz VCVDRXIEXGTTEO-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](CCCC2CCC2)CC1 ZINC001045466995 1346600877 /nfs/dbraw/zinc/60/08/77/1346600877.db2.gz DJGBVKXKFLKNEN-IAGOWNOFSA-N 2 2 344.503 3.064 20 0 EGADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](CCCC2CCC2)CC1 ZINC001045466995 1346600879 /nfs/dbraw/zinc/60/08/79/1346600879.db2.gz DJGBVKXKFLKNEN-IAGOWNOFSA-N 2 2 344.503 3.064 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969436 1346804570 /nfs/dbraw/zinc/80/45/70/1346804570.db2.gz QNWJKKGIQVWNPQ-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969436 1346804574 /nfs/dbraw/zinc/80/45/74/1346804574.db2.gz QNWJKKGIQVWNPQ-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001047265060 1347285849 /nfs/dbraw/zinc/28/58/49/1347285849.db2.gz PIKJWWWAWPVGCH-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001047921724 1347410244 /nfs/dbraw/zinc/41/02/44/1347410244.db2.gz RHCLQILEWDCRFA-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049554014 1347906649 /nfs/dbraw/zinc/90/66/49/1347906649.db2.gz YVBNCDZDKOIGIL-OALUTQOASA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049554014 1347906650 /nfs/dbraw/zinc/90/66/50/1347906650.db2.gz YVBNCDZDKOIGIL-OALUTQOASA-N 2 2 338.455 3.042 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050684335 1348326060 /nfs/dbraw/zinc/32/60/60/1348326060.db2.gz JFJPZGJMEFRJBM-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052464063 1348547733 /nfs/dbraw/zinc/54/77/33/1348547733.db2.gz YEANMKIVPVLHEA-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052464063 1348547737 /nfs/dbraw/zinc/54/77/37/1348547737.db2.gz YEANMKIVPVLHEA-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052464063 1348547741 /nfs/dbraw/zinc/54/77/41/1348547741.db2.gz YEANMKIVPVLHEA-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052464063 1348547744 /nfs/dbraw/zinc/54/77/44/1348547744.db2.gz YEANMKIVPVLHEA-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053052541 1348857964 /nfs/dbraw/zinc/85/79/64/1348857964.db2.gz WBVNSBKQGXPGMD-ROUUACIJSA-N 2 2 346.519 3.011 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053052541 1348857968 /nfs/dbraw/zinc/85/79/68/1348857968.db2.gz WBVNSBKQGXPGMD-ROUUACIJSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962594 1357440245 /nfs/dbraw/zinc/44/02/45/1357440245.db2.gz SBDCHRVCKZRJSU-QEEYODRMSA-N 2 2 348.450 3.374 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962594 1357440246 /nfs/dbraw/zinc/44/02/46/1357440246.db2.gz SBDCHRVCKZRJSU-QEEYODRMSA-N 2 2 348.450 3.374 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C)[N@@H+](CC4CCC4)C3)ccn12 ZINC001071511731 1354735864 /nfs/dbraw/zinc/73/58/64/1354735864.db2.gz PBKSCFLHJBWTPR-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C)[N@H+](CC4CCC4)C3)ccn12 ZINC001071511731 1354735868 /nfs/dbraw/zinc/73/58/68/1354735868.db2.gz PBKSCFLHJBWTPR-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C)[N@H+](CCC(C)C)C3)ccn12 ZINC001071511135 1354736180 /nfs/dbraw/zinc/73/61/80/1354736180.db2.gz JOPAAVHAUVVIMB-YJBOKZPZSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C)[N@@H+](CCC(C)C)C3)ccn12 ZINC001071511135 1354736184 /nfs/dbraw/zinc/73/61/84/1354736184.db2.gz JOPAAVHAUVVIMB-YJBOKZPZSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001075461297 1356395043 /nfs/dbraw/zinc/39/50/43/1356395043.db2.gz BZTGVFVFUBSRCW-KRWDZBQOSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001075461297 1356395045 /nfs/dbraw/zinc/39/50/45/1356395045.db2.gz BZTGVFVFUBSRCW-KRWDZBQOSA-N 2 2 346.519 3.010 20 0 EGADLP CC(C)C1CCC(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC001183533866 1387317156 /nfs/dbraw/zinc/31/71/56/1387317156.db2.gz NEJGQRNHKKMFLI-UHFFFAOYSA-N 2 2 349.563 3.255 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC001085406338 1358492217 /nfs/dbraw/zinc/49/22/17/1358492217.db2.gz AKAHFXSHZQIMOZ-BMGDILEWSA-N 2 2 340.471 3.039 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651422 1358660010 /nfs/dbraw/zinc/66/00/10/1358660010.db2.gz SUIQMBBVPZOBRO-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651422 1358660015 /nfs/dbraw/zinc/66/00/15/1358660015.db2.gz SUIQMBBVPZOBRO-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651422 1358660021 /nfs/dbraw/zinc/66/00/21/1358660021.db2.gz SUIQMBBVPZOBRO-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651422 1358660024 /nfs/dbraw/zinc/66/00/24/1358660024.db2.gz SUIQMBBVPZOBRO-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651865 1358660231 /nfs/dbraw/zinc/66/02/31/1358660231.db2.gz GDXOPONXMLFFIR-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651865 1358660236 /nfs/dbraw/zinc/66/02/36/1358660236.db2.gz GDXOPONXMLFFIR-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651865 1358660243 /nfs/dbraw/zinc/66/02/43/1358660243.db2.gz GDXOPONXMLFFIR-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651865 1358660247 /nfs/dbraw/zinc/66/02/47/1358660247.db2.gz GDXOPONXMLFFIR-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001088345933 1359833200 /nfs/dbraw/zinc/83/32/00/1359833200.db2.gz BLJMISOZXMUWAW-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CC1CCC(C[NH2+][C@@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001088404924 1359876778 /nfs/dbraw/zinc/87/67/78/1359876778.db2.gz KGTRKYOQQAXNLI-DAWZGUTISA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCC2CCCC2)C1 ZINC001089569414 1360514881 /nfs/dbraw/zinc/51/48/81/1360514881.db2.gz ZWMMBPQFHCIRON-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCC2CCCC2)C1 ZINC001089569414 1360514883 /nfs/dbraw/zinc/51/48/83/1360514883.db2.gz ZWMMBPQFHCIRON-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001323813929 1387465733 /nfs/dbraw/zinc/46/57/33/1387465733.db2.gz VNJGFUMXYDBDJT-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001323813929 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O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110510154 1367793991 /nfs/dbraw/zinc/79/39/91/1367793991.db2.gz ARUAIEZZTMVORZ-KURKYZTESA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110510154 1367793992 /nfs/dbraw/zinc/79/39/92/1367793992.db2.gz ARUAIEZZTMVORZ-KURKYZTESA-N 2 2 344.503 3.034 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577266 1367822724 /nfs/dbraw/zinc/82/27/24/1367822724.db2.gz FASHYIZIWQOPBF-IKSUFZCESA-N 2 2 332.492 3.113 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577266 1367822730 /nfs/dbraw/zinc/82/27/30/1367822730.db2.gz FASHYIZIWQOPBF-IKSUFZCESA-N 2 2 332.492 3.113 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001111008491 1368142335 /nfs/dbraw/zinc/14/23/35/1368142335.db2.gz XDXSIJSSVFUZRT-ATLSCFEFSA-N 2 2 344.503 3.131 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001111008491 1368142339 /nfs/dbraw/zinc/14/23/39/1368142339.db2.gz XDXSIJSSVFUZRT-ATLSCFEFSA-N 2 2 344.503 3.131 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496849 1368320850 /nfs/dbraw/zinc/32/08/50/1368320850.db2.gz HZHKVRFGMHNPGO-MANSERQUSA-N 2 2 346.519 3.067 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496849 1368320856 /nfs/dbraw/zinc/32/08/56/1368320856.db2.gz HZHKVRFGMHNPGO-MANSERQUSA-N 2 2 346.519 3.067 20 0 EGADLP C[C@H](CNC(=O)c1cccc(-c2c[nH+]cn2C)c1)CC(C)(C)CC[NH3+] ZINC001194918558 1368347734 /nfs/dbraw/zinc/34/77/34/1368347734.db2.gz ZBTGVFQMAKDNKJ-HNNXBMFYSA-N 2 2 342.487 3.218 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242176 1368574793 /nfs/dbraw/zinc/57/47/93/1368574793.db2.gz FPNNOAUTHHARDS-ZWKOTPCHSA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242176 1368574795 /nfs/dbraw/zinc/57/47/95/1368574795.db2.gz FPNNOAUTHHARDS-ZWKOTPCHSA-N 2 2 334.508 3.051 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC001198022616 1368945118 /nfs/dbraw/zinc/94/51/18/1368945118.db2.gz XKWFXEABPNPOFP-UHFFFAOYSA-N 2 2 341.455 3.028 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2O)cc1 ZINC001198022616 1368945124 /nfs/dbraw/zinc/94/51/24/1368945124.db2.gz XKWFXEABPNPOFP-UHFFFAOYSA-N 2 2 341.455 3.028 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC001325435819 1387971926 /nfs/dbraw/zinc/97/19/26/1387971926.db2.gz WTFXIYDHKYGVPI-SJORKVTESA-N 2 2 325.456 3.241 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC001325435819 1387971927 /nfs/dbraw/zinc/97/19/27/1387971927.db2.gz WTFXIYDHKYGVPI-SJORKVTESA-N 2 2 325.456 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001112995002 1369127347 /nfs/dbraw/zinc/12/73/47/1369127347.db2.gz OEOVJTDWPDYBJR-KRWDZBQOSA-N 2 2 334.508 3.051 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001200705126 1369416954 /nfs/dbraw/zinc/41/69/54/1369416954.db2.gz ZPTFOCKFFHAFRA-CTNGQTDRSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001200705126 1369416956 /nfs/dbraw/zinc/41/69/56/1369416956.db2.gz ZPTFOCKFFHAFRA-CTNGQTDRSA-N 2 2 342.458 3.107 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201589038 1369583545 /nfs/dbraw/zinc/58/35/45/1369583545.db2.gz UGRMSHIBENUTOZ-MRXNPFEDSA-N 2 2 342.487 3.211 20 0 EGADLP CCC1(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)COC1 ZINC001202957929 1369936470 /nfs/dbraw/zinc/93/64/70/1369936470.db2.gz HTRKBJQPAMKACW-UHFFFAOYSA-N 2 2 337.423 3.420 20 0 EGADLP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203930613 1370319853 /nfs/dbraw/zinc/31/98/53/1370319853.db2.gz JLDGZUFHABJOOE-SFHVURJKSA-N 2 2 325.412 3.002 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203930613 1370319855 /nfs/dbraw/zinc/31/98/55/1370319855.db2.gz JLDGZUFHABJOOE-SFHVURJKSA-N 2 2 325.412 3.002 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204088154 1370373914 /nfs/dbraw/zinc/37/39/14/1370373914.db2.gz LDEXHWMHBHXEAS-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204088154 1370373919 /nfs/dbraw/zinc/37/39/19/1370373919.db2.gz LDEXHWMHBHXEAS-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510169 1370508882 /nfs/dbraw/zinc/50/88/82/1370508882.db2.gz NEZVDORWVXWYDV-ARJAWSKDSA-N 2 2 332.492 3.107 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)ccc1F ZINC001205171004 1370668970 /nfs/dbraw/zinc/66/89/70/1370668970.db2.gz BKQNJKOTMUCMRL-RTBURBONSA-N 2 2 325.431 3.093 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1)n1cc[nH+]c1 ZINC001115752562 1370734460 /nfs/dbraw/zinc/73/44/60/1370734460.db2.gz JNSKERJBVKWDRO-INIZCTEOSA-N 2 2 332.492 3.043 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115767523 1370752131 /nfs/dbraw/zinc/75/21/31/1370752131.db2.gz SJPSTVGGPPPYJY-MRXNPFEDSA-N 2 2 334.508 3.043 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115767523 1370752134 /nfs/dbraw/zinc/75/21/34/1370752134.db2.gz SJPSTVGGPPPYJY-MRXNPFEDSA-N 2 2 334.508 3.043 20 0 EGADLP CCn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001205557518 1370790420 /nfs/dbraw/zinc/79/04/20/1370790420.db2.gz TUXZBADJHJZRCB-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001205557518 1370790425 /nfs/dbraw/zinc/79/04/25/1370790425.db2.gz TUXZBADJHJZRCB-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557518 1370790427 /nfs/dbraw/zinc/79/04/27/1370790427.db2.gz TUXZBADJHJZRCB-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557518 1370790430 /nfs/dbraw/zinc/79/04/30/1370790430.db2.gz TUXZBADJHJZRCB-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651915 1370829296 /nfs/dbraw/zinc/82/92/96/1370829296.db2.gz LQWVJQMBTKWTAG-HOCLYGCPSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651915 1370829306 /nfs/dbraw/zinc/82/93/06/1370829306.db2.gz LQWVJQMBTKWTAG-HOCLYGCPSA-N 3 2 332.879 3.333 20 0 EGADLP C[NH+](C)Cc1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc1F ZINC001205679128 1370840298 /nfs/dbraw/zinc/84/02/98/1370840298.db2.gz DTXZTWXAHBTVEO-UHFFFAOYSA-N 2 2 342.458 3.429 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]CC[C@H](C)F)CC2)c(C)[nH+]1 ZINC001205731676 1370854705 /nfs/dbraw/zinc/85/47/05/1370854705.db2.gz FUGYCGIZMAGDHA-AWEZNQCLSA-N 2 2 335.467 3.197 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cncc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205788951 1370871101 /nfs/dbraw/zinc/87/11/01/1370871101.db2.gz UDVCMNMELLEDCY-INIZCTEOSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205788951 1370871107 /nfs/dbraw/zinc/87/11/07/1370871107.db2.gz UDVCMNMELLEDCY-INIZCTEOSA-N 2 2 335.373 3.304 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205914830 1370908742 /nfs/dbraw/zinc/90/87/42/1370908742.db2.gz OEXQGYZSIZHKEH-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205914830 1370908743 /nfs/dbraw/zinc/90/87/43/1370908743.db2.gz OEXQGYZSIZHKEH-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013801 1370939147 /nfs/dbraw/zinc/93/91/47/1370939147.db2.gz UIKKRIMJVRDWMJ-ZYHUDNBSSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013801 1370939149 /nfs/dbraw/zinc/93/91/49/1370939149.db2.gz UIKKRIMJVRDWMJ-ZYHUDNBSSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026246 1370942551 /nfs/dbraw/zinc/94/25/51/1370942551.db2.gz RCAVIFBHFIKSQJ-HOCLYGCPSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026246 1370942555 /nfs/dbraw/zinc/94/25/55/1370942555.db2.gz RCAVIFBHFIKSQJ-HOCLYGCPSA-N 3 2 332.879 3.333 20 0 EGADLP COC(=O)[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078605 1370956471 /nfs/dbraw/zinc/95/64/71/1370956471.db2.gz WRYKLTTWKXIZSP-RBUKOAKNSA-N 2 2 346.515 3.464 20 0 EGADLP COC(=O)[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078605 1370956475 /nfs/dbraw/zinc/95/64/75/1370956475.db2.gz WRYKLTTWKXIZSP-RBUKOAKNSA-N 2 2 346.515 3.464 20 0 EGADLP Cc1c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206197925 1370990540 /nfs/dbraw/zinc/99/05/40/1370990540.db2.gz KKRBBEULLKCBRG-LSDHHAIUSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206197925 1370990546 /nfs/dbraw/zinc/99/05/46/1370990546.db2.gz KKRBBEULLKCBRG-LSDHHAIUSA-N 2 2 329.257 3.327 20 0 EGADLP CC[C@H](C)CC[C@@H](O)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116879010 1370993503 /nfs/dbraw/zinc/99/35/03/1370993503.db2.gz LNSTWUKTBTXEQP-DZGCQCFKSA-N 2 2 330.432 3.092 20 0 EGADLP CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116879012 1370993732 /nfs/dbraw/zinc/99/37/32/1370993732.db2.gz LNSTWUKTBTXEQP-UKRRQHHQSA-N 2 2 330.432 3.092 20 0 EGADLP Cn1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001206213515 1370995508 /nfs/dbraw/zinc/99/55/08/1370995508.db2.gz IKGQNTQAXNUNSG-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001206213515 1370995512 /nfs/dbraw/zinc/99/55/12/1370995512.db2.gz IKGQNTQAXNUNSG-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001206213515 1370995517 /nfs/dbraw/zinc/99/55/17/1370995517.db2.gz IKGQNTQAXNUNSG-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)c1 ZINC001206213515 1370995523 /nfs/dbraw/zinc/99/55/23/1370995523.db2.gz IKGQNTQAXNUNSG-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP COC(=O)CCC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001206251701 1371004642 /nfs/dbraw/zinc/00/46/42/1371004642.db2.gz RORVXJWYGCGDHF-HXUWFJFHSA-N 2 2 340.467 3.012 20 0 EGADLP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001206251701 1371004644 /nfs/dbraw/zinc/00/46/44/1371004644.db2.gz RORVXJWYGCGDHF-HXUWFJFHSA-N 2 2 340.467 3.012 20 0 EGADLP Cn1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280947 1371011430 /nfs/dbraw/zinc/01/14/30/1371011430.db2.gz ZJWJRIJFAASFJI-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[N@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280947 1371011436 /nfs/dbraw/zinc/01/14/36/1371011436.db2.gz ZJWJRIJFAASFJI-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280947 1371011439 /nfs/dbraw/zinc/01/14/39/1371011439.db2.gz ZJWJRIJFAASFJI-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280947 1371011443 /nfs/dbraw/zinc/01/14/43/1371011443.db2.gz ZJWJRIJFAASFJI-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2cnc3cc(Br)ccc3c2)C1 ZINC001206284259 1371012313 /nfs/dbraw/zinc/01/23/13/1371012313.db2.gz AJUXTQLWIQPHNY-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cnc3cc(Br)ccc3c2)C1 ZINC001206284259 1371012317 /nfs/dbraw/zinc/01/23/17/1371012317.db2.gz AJUXTQLWIQPHNY-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(O)c(Br)c2)CC1 ZINC001206318256 1371019971 /nfs/dbraw/zinc/01/99/71/1371019971.db2.gz OMFZJPKXCKBMEP-OAHLLOKOSA-N 2 2 345.256 3.245 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(O)c(Br)c2)CC1 ZINC001206318256 1371019973 /nfs/dbraw/zinc/01/99/73/1371019973.db2.gz OMFZJPKXCKBMEP-OAHLLOKOSA-N 2 2 345.256 3.245 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001206427474 1371051480 /nfs/dbraw/zinc/05/14/80/1371051480.db2.gz HDILEIODGMOVSN-QGZVFWFLSA-N 2 2 346.519 3.243 20 0 EGADLP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428295 1371051640 /nfs/dbraw/zinc/05/16/40/1371051640.db2.gz XAYSUWYPJNWKOP-CHYADLBTSA-N 2 2 332.492 3.019 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206428386 1371052619 /nfs/dbraw/zinc/05/26/19/1371052619.db2.gz ZKHZJPFNDHNPQW-DUMMIQTOSA-N 2 2 346.519 3.409 20 0 EGADLP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC001206455170 1371059681 /nfs/dbraw/zinc/05/96/81/1371059681.db2.gz BKYOUZJPCDNFIA-OAQYLSRUSA-N 2 2 328.500 3.252 20 0 EGADLP c1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC001206455170 1371059684 /nfs/dbraw/zinc/05/96/84/1371059684.db2.gz BKYOUZJPCDNFIA-OAQYLSRUSA-N 2 2 328.500 3.252 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC001206563692 1371093972 /nfs/dbraw/zinc/09/39/72/1371093972.db2.gz HIQONMPCZZAEHR-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC001206563692 1371093977 /nfs/dbraw/zinc/09/39/77/1371093977.db2.gz HIQONMPCZZAEHR-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP CC(C)CC(=O)OCc1cocc2c(C[NH+]3CC(C)(C[NH3+])C3)ccc1-2 ZINC001206736329 1371149022 /nfs/dbraw/zinc/14/90/22/1371149022.db2.gz CISUAMCZYVQCDB-UHFFFAOYSA-N 2 2 344.455 3.254 20 0 EGADLP [NH3+][C@H]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc21 ZINC001206739595 1371150109 /nfs/dbraw/zinc/15/01/09/1371150109.db2.gz ANUFTPZQXAPIGN-FQEVSTJZSA-N 2 2 326.415 3.271 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806754 1371175155 /nfs/dbraw/zinc/17/51/55/1371175155.db2.gz HLKWUFASJPPODR-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206806754 1371175158 /nfs/dbraw/zinc/17/51/58/1371175158.db2.gz HLKWUFASJPPODR-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206808725 1371176104 /nfs/dbraw/zinc/17/61/04/1371176104.db2.gz KEUREOAJSMITDW-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206808725 1371176107 /nfs/dbraw/zinc/17/61/07/1371176107.db2.gz KEUREOAJSMITDW-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812201 1371177634 /nfs/dbraw/zinc/17/76/34/1371177634.db2.gz XWUQGTDEKVXUQP-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206812201 1371177637 /nfs/dbraw/zinc/17/76/37/1371177637.db2.gz XWUQGTDEKVXUQP-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207008042 1371264272 /nfs/dbraw/zinc/26/42/72/1371264272.db2.gz AQGWNLSAUJWARZ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207008042 1371264276 /nfs/dbraw/zinc/26/42/76/1371264276.db2.gz AQGWNLSAUJWARZ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001207278952 1371348417 /nfs/dbraw/zinc/34/84/17/1371348417.db2.gz HNNGNSBVHPBGGK-IBGZPJMESA-N 2 2 339.524 3.050 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001207278952 1371348423 /nfs/dbraw/zinc/34/84/23/1371348423.db2.gz HNNGNSBVHPBGGK-IBGZPJMESA-N 2 2 339.524 3.050 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207288204 1371351788 /nfs/dbraw/zinc/35/17/88/1371351788.db2.gz JIXFKIXRCRBXNO-WOJBJXKFSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207288204 1371351793 /nfs/dbraw/zinc/35/17/93/1371351793.db2.gz JIXFKIXRCRBXNO-WOJBJXKFSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288204 1371351795 /nfs/dbraw/zinc/35/17/95/1371351795.db2.gz JIXFKIXRCRBXNO-WOJBJXKFSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288204 1371351797 /nfs/dbraw/zinc/35/17/97/1371351797.db2.gz JIXFKIXRCRBXNO-WOJBJXKFSA-N 3 2 329.532 3.028 20 0 EGADLP CC[NH+](CC)C1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001207374798 1371378831 /nfs/dbraw/zinc/37/88/31/1371378831.db2.gz QVOLBEXLFPNPHB-KRWDZBQOSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](CCc3ccccc3Br)C[C@H]2C1 ZINC001207534516 1371427297 /nfs/dbraw/zinc/42/72/97/1371427297.db2.gz WHRQYQCGRLVLAE-HZPDHXFCSA-N 2 2 337.305 3.265 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659851 1371467159 /nfs/dbraw/zinc/46/71/59/1371467159.db2.gz PKVSNVUZMJHWQZ-YSNLUETFSA-N 2 2 346.519 3.263 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659851 1371467164 /nfs/dbraw/zinc/46/71/64/1371467164.db2.gz PKVSNVUZMJHWQZ-YSNLUETFSA-N 2 2 346.519 3.263 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659850 1371467537 /nfs/dbraw/zinc/46/75/37/1371467537.db2.gz PKVSNVUZMJHWQZ-RTUSNTFBSA-N 2 2 346.519 3.263 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659850 1371467542 /nfs/dbraw/zinc/46/75/42/1371467542.db2.gz PKVSNVUZMJHWQZ-RTUSNTFBSA-N 2 2 346.519 3.263 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001207834468 1371515648 /nfs/dbraw/zinc/51/56/48/1371515648.db2.gz VLHYJFPGNFLXLL-PMACEKPBSA-N 2 2 333.479 3.177 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440895 1371578777 /nfs/dbraw/zinc/57/87/77/1371578777.db2.gz UVYRNDSMPFBAMY-MSOLQXFVSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440895 1371578780 /nfs/dbraw/zinc/57/87/80/1371578780.db2.gz UVYRNDSMPFBAMY-MSOLQXFVSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001120467372 1371586004 /nfs/dbraw/zinc/58/60/04/1371586004.db2.gz KQXRVPMBQPMWKY-UIFIKXQLSA-N 2 2 349.478 3.458 20 0 EGADLP C[NH+]1CCC([N@H+](CCCn2cccn2)Cc2ccc(F)cc2)CC1 ZINC001208086037 1371591814 /nfs/dbraw/zinc/59/18/14/1371591814.db2.gz BVPDQYXZEKVBJO-UHFFFAOYSA-N 2 2 330.451 3.009 20 0 EGADLP C[NH+]1CCC([N@@H+](CCCn2cccn2)Cc2ccc(F)cc2)CC1 ZINC001208086037 1371591816 /nfs/dbraw/zinc/59/18/16/1371591816.db2.gz BVPDQYXZEKVBJO-UHFFFAOYSA-N 2 2 330.451 3.009 20 0 EGADLP Cc1cc(C)c(CNC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c[nH+]1 ZINC001120537514 1371603491 /nfs/dbraw/zinc/60/34/91/1371603491.db2.gz APBUBKYKOCEOAR-QGZVFWFLSA-N 2 2 344.503 3.010 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1 ZINC001120560921 1371611318 /nfs/dbraw/zinc/61/13/18/1371611318.db2.gz KPSNYFCIUXATCA-RTWAWAEBSA-N 2 2 349.478 3.287 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559129 1371817546 /nfs/dbraw/zinc/81/75/46/1371817546.db2.gz DJNJSOSPUHEEBA-LYPVTWFESA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559129 1371817548 /nfs/dbraw/zinc/81/75/48/1371817548.db2.gz DJNJSOSPUHEEBA-LYPVTWFESA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121033562 1371838601 /nfs/dbraw/zinc/83/86/01/1371838601.db2.gz JTMWKPKHQGLWIR-UHFFFAOYSA-N 2 2 346.519 3.186 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001208613650 1371840089 /nfs/dbraw/zinc/84/00/89/1371840089.db2.gz XJNDSEDXPUPRBV-AWEZNQCLSA-N 2 2 342.314 3.457 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001208613650 1371840096 /nfs/dbraw/zinc/84/00/96/1371840096.db2.gz XJNDSEDXPUPRBV-AWEZNQCLSA-N 2 2 342.314 3.457 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC1)O2 ZINC001208616616 1371842600 /nfs/dbraw/zinc/84/26/00/1371842600.db2.gz LWVKDNFWJGTYRN-QGZVFWFLSA-N 2 2 342.483 3.137 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC1)O2 ZINC001208616616 1371842604 /nfs/dbraw/zinc/84/26/04/1371842604.db2.gz LWVKDNFWJGTYRN-QGZVFWFLSA-N 2 2 342.483 3.137 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208616205 1371842757 /nfs/dbraw/zinc/84/27/57/1371842757.db2.gz JUXULFGENJRFLK-IAGOWNOFSA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208616205 1371842761 /nfs/dbraw/zinc/84/27/61/1371842761.db2.gz JUXULFGENJRFLK-IAGOWNOFSA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208616205 1371842765 /nfs/dbraw/zinc/84/27/65/1371842765.db2.gz JUXULFGENJRFLK-IAGOWNOFSA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208616205 1371842767 /nfs/dbraw/zinc/84/27/67/1371842767.db2.gz JUXULFGENJRFLK-IAGOWNOFSA-N 2 2 339.524 3.050 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824422 1371907271 /nfs/dbraw/zinc/90/72/71/1371907271.db2.gz HVTVNQKWLOIKAM-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824422 1371907298 /nfs/dbraw/zinc/90/72/98/1371907298.db2.gz HVTVNQKWLOIKAM-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824422 1371907300 /nfs/dbraw/zinc/90/73/00/1371907300.db2.gz HVTVNQKWLOIKAM-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824422 1371907304 /nfs/dbraw/zinc/90/73/04/1371907304.db2.gz HVTVNQKWLOIKAM-WBVHZDCISA-N 2 2 337.305 3.408 20 0 EGADLP FC1(F)CSC2(C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952825 1371960679 /nfs/dbraw/zinc/96/06/79/1371960679.db2.gz MFNOFANSAGZRDT-MRXNPFEDSA-N 2 2 338.467 3.335 20 0 EGADLP FC1(F)CSC2(C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952825 1371960684 /nfs/dbraw/zinc/96/06/84/1371960684.db2.gz MFNOFANSAGZRDT-MRXNPFEDSA-N 2 2 338.467 3.335 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208959517 1371962721 /nfs/dbraw/zinc/96/27/21/1371962721.db2.gz RVBNMWJXVIXVIT-UHOSZYNNSA-N 2 2 332.488 3.028 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208959517 1371962725 /nfs/dbraw/zinc/96/27/25/1371962725.db2.gz RVBNMWJXVIXVIT-UHOSZYNNSA-N 2 2 332.488 3.028 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208959517 1371962741 /nfs/dbraw/zinc/96/27/41/1371962741.db2.gz RVBNMWJXVIXVIT-UHOSZYNNSA-N 2 2 332.488 3.028 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208959517 1371962758 /nfs/dbraw/zinc/96/27/58/1371962758.db2.gz RVBNMWJXVIXVIT-UHOSZYNNSA-N 2 2 332.488 3.028 20 0 EGADLP C[NH+](C)CCCN1CC[NH+](CCc2c(Cl)cccc2Cl)CC1 ZINC001209113095 1372001354 /nfs/dbraw/zinc/00/13/54/1372001354.db2.gz TWQVWYWHLMXPDQ-UHFFFAOYSA-N 2 2 344.330 3.105 20 0 EGADLP COC1CCC(C[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001209391440 1372088607 /nfs/dbraw/zinc/08/86/07/1372088607.db2.gz NWTJWLMUPDFRJT-MUYFXNHWSA-N 2 2 348.535 3.305 20 0 EGADLP COC1CCC(C[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001209391440 1372088610 /nfs/dbraw/zinc/08/86/10/1372088610.db2.gz NWTJWLMUPDFRJT-MUYFXNHWSA-N 2 2 348.535 3.305 20 0 EGADLP COC1CCC(C[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001209391440 1372088613 /nfs/dbraw/zinc/08/86/13/1372088613.db2.gz NWTJWLMUPDFRJT-MUYFXNHWSA-N 2 2 348.535 3.305 20 0 EGADLP COC1CCC(C[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001209391440 1372088616 /nfs/dbraw/zinc/08/86/16/1372088616.db2.gz NWTJWLMUPDFRJT-MUYFXNHWSA-N 2 2 348.535 3.305 20 0 EGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001209450981 1372109319 /nfs/dbraw/zinc/10/93/19/1372109319.db2.gz XEGVINCJERNFBC-QGZVFWFLSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001209450981 1372109322 /nfs/dbraw/zinc/10/93/22/1372109322.db2.gz XEGVINCJERNFBC-QGZVFWFLSA-N 2 2 339.524 3.194 20 0 EGADLP c1ccc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c(C[NH+]2CCOCC2)c1 ZINC001210714103 1372412485 /nfs/dbraw/zinc/41/24/85/1372412485.db2.gz KDLZKQCTSIFCDV-HXUWFJFHSA-N 2 2 341.499 3.463 20 0 EGADLP CCCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001212272904 1372681237 /nfs/dbraw/zinc/68/12/37/1372681237.db2.gz BRMKSYXDHINEHI-KRWDZBQOSA-N 2 2 344.459 3.149 20 0 EGADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212360598 1372694128 /nfs/dbraw/zinc/69/41/28/1372694128.db2.gz YEHIZNHMKWTDIT-UHFFFAOYSA-N 2 2 349.438 3.215 20 0 EGADLP OC1C[NH+](Cc2ccc(Nc3cc[nH+]cc3Oc3ccccc3)cc2)C1 ZINC001212664236 1372747324 /nfs/dbraw/zinc/74/73/24/1372747324.db2.gz DFFVATFHUWUSDO-UHFFFAOYSA-N 2 2 347.418 3.216 20 0 EGADLP Cc1ccc2c(Nc3cncc(N4CC[NH+](C)CC4)c3)cccc2[nH+]1 ZINC001212797116 1372773956 /nfs/dbraw/zinc/77/39/56/1372773956.db2.gz YYYHTSAYCLSIMH-UHFFFAOYSA-N 2 2 333.439 3.434 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C2)c[nH+]1 ZINC001214946149 1373146056 /nfs/dbraw/zinc/14/60/56/1373146056.db2.gz NSJVLUXDGVSCQE-NVXWUHKLSA-N 2 2 348.535 3.189 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215132696 1373175768 /nfs/dbraw/zinc/17/57/68/1373175768.db2.gz MSZDHPWSPGZTCP-HZPDHXFCSA-N 2 2 342.487 3.211 20 0 EGADLP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001326594967 1388252215 /nfs/dbraw/zinc/25/22/15/1388252215.db2.gz DHAIDTNLKLVIET-DOTOQJQBSA-N 2 2 336.439 3.058 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccnn2CC(C)C)[nH+]1 ZINC001326599041 1388255169 /nfs/dbraw/zinc/25/51/69/1388255169.db2.gz PCLHEXKBTZEIEO-KRWDZBQOSA-N 2 2 327.476 3.319 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccnn2CC(C)C)[nH+]1 ZINC001326599041 1388255171 /nfs/dbraw/zinc/25/51/71/1388255171.db2.gz PCLHEXKBTZEIEO-KRWDZBQOSA-N 2 2 327.476 3.319 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc(Cl)c1 ZINC001130266287 1373481201 /nfs/dbraw/zinc/48/12/01/1373481201.db2.gz RVHZRZPSGBDMLR-GFCCVEGCSA-N 2 2 342.830 3.297 20 0 EGADLP O=C(NCC[NH2+]CC[C@@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001130269071 1373482095 /nfs/dbraw/zinc/48/20/95/1373482095.db2.gz XCJHMYHTRMEEJS-INIZCTEOSA-N 2 2 348.450 3.002 20 0 EGADLP COC(=O)c1cccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222395092 1373835279 /nfs/dbraw/zinc/83/52/79/1373835279.db2.gz GUBFLFIMCLVTHG-FQEVSTJZSA-N 2 2 341.455 3.063 20 0 EGADLP COC(=O)c1cccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222395092 1373835287 /nfs/dbraw/zinc/83/52/87/1373835287.db2.gz GUBFLFIMCLVTHG-FQEVSTJZSA-N 2 2 341.455 3.063 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090808 1375140976 /nfs/dbraw/zinc/14/09/76/1375140976.db2.gz MJYUBFWAKAMYRS-QFBILLFUSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090808 1375140978 /nfs/dbraw/zinc/14/09/78/1375140978.db2.gz MJYUBFWAKAMYRS-QFBILLFUSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090808 1375140980 /nfs/dbraw/zinc/14/09/80/1375140980.db2.gz MJYUBFWAKAMYRS-QFBILLFUSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090808 1375140983 /nfs/dbraw/zinc/14/09/83/1375140983.db2.gz MJYUBFWAKAMYRS-QFBILLFUSA-N 2 2 344.503 3.202 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]CC[C@@H](C)F)ccn12 ZINC001226251621 1375227322 /nfs/dbraw/zinc/22/73/22/1375227322.db2.gz VRXQBSNIQATPQB-KBRIMQKVSA-N 2 2 346.450 3.021 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1=CCCCC1 ZINC001132547024 1375454503 /nfs/dbraw/zinc/45/45/03/1375454503.db2.gz WBIAYGUNNDEDMI-PKOBYXMFSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1=CCCCC1 ZINC001132547024 1375454505 /nfs/dbraw/zinc/45/45/05/1375454505.db2.gz WBIAYGUNNDEDMI-PKOBYXMFSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001228854107 1375693984 /nfs/dbraw/zinc/69/39/84/1375693984.db2.gz VNRLKFOIIAECTB-QXAKKESOSA-N 2 2 344.503 3.352 20 0 EGADLP CCC/C=C\CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229384178 1375824836 /nfs/dbraw/zinc/82/48/36/1375824836.db2.gz BHCQKGUUUGLLEH-KEGWNNHHSA-N 2 2 332.492 3.161 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001230338452 1376002982 /nfs/dbraw/zinc/00/29/82/1376002982.db2.gz PFYQAMGOFALFLK-RTBURBONSA-N 2 2 346.519 3.261 20 0 EGADLP C[NH+](C)C1CC[NH+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001231824202 1376321140 /nfs/dbraw/zinc/32/11/40/1376321140.db2.gz FHXXTGCZUCSYIL-UHFFFAOYSA-N 2 2 334.357 3.449 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228797 1376425268 /nfs/dbraw/zinc/42/52/68/1376425268.db2.gz QNGZPQXHARFTCI-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(O)c3ncccc23)C1 ZINC001232281071 1376432198 /nfs/dbraw/zinc/43/21/98/1376432198.db2.gz DZFDUVUVOFNSPZ-MRXNPFEDSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(O)c3ncccc23)C1 ZINC001232281071 1376432200 /nfs/dbraw/zinc/43/22/00/1376432200.db2.gz DZFDUVUVOFNSPZ-MRXNPFEDSA-N 2 2 335.407 3.297 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(Cl)c2ccccc2n(C)c1=O ZINC001232646096 1376495060 /nfs/dbraw/zinc/49/50/60/1376495060.db2.gz ZFJQPMZOCJYCNH-UHFFFAOYSA-N 2 2 349.906 3.356 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(Cl)c2ccccc2n(C)c1=O ZINC001232646096 1376495063 /nfs/dbraw/zinc/49/50/63/1376495063.db2.gz ZFJQPMZOCJYCNH-UHFFFAOYSA-N 2 2 349.906 3.356 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001134544249 1376584840 /nfs/dbraw/zinc/58/48/40/1376584840.db2.gz FBHSTSJXQBXNQV-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001134544249 1376584847 /nfs/dbraw/zinc/58/48/47/1376584847.db2.gz FBHSTSJXQBXNQV-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP O=c1ccc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)ccc(O)c2[nH]1 ZINC001233290983 1376605448 /nfs/dbraw/zinc/60/54/48/1376605448.db2.gz GGRGFICPYRGNSE-UHFFFAOYSA-N 2 2 341.455 3.096 20 0 EGADLP CCOC(=O)c1ccnc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001233326642 1376616652 /nfs/dbraw/zinc/61/66/52/1376616652.db2.gz MJVHNZSWMJNETN-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccnc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001233326642 1376616655 /nfs/dbraw/zinc/61/66/55/1376616655.db2.gz MJVHNZSWMJNETN-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001233326642 1376616660 /nfs/dbraw/zinc/61/66/60/1376616660.db2.gz MJVHNZSWMJNETN-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccnc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001233326642 1376616663 /nfs/dbraw/zinc/61/66/63/1376616663.db2.gz MJVHNZSWMJNETN-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC2CCCC2)c[nH+]1 ZINC001134730201 1376682690 /nfs/dbraw/zinc/68/26/90/1376682690.db2.gz UJBLXOKGPYKLJI-CVEARBPZSA-N 2 2 348.535 3.380 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739831 1376688735 /nfs/dbraw/zinc/68/87/35/1376688735.db2.gz KLLIXMJJXMDVFQ-KBPBESRZSA-N 2 2 330.476 3.486 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068266 1376763064 /nfs/dbraw/zinc/76/30/64/1376763064.db2.gz ZQCKVNYGFSUOTF-ZDUSSCGKSA-N 2 2 325.334 3.265 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068266 1376763068 /nfs/dbraw/zinc/76/30/68/1376763068.db2.gz ZQCKVNYGFSUOTF-ZDUSSCGKSA-N 2 2 325.334 3.265 20 0 EGADLP Cc1nnc(-c2ccc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)cc2)o1 ZINC001235053594 1376843765 /nfs/dbraw/zinc/84/37/65/1376843765.db2.gz ALHBJGQLQVNJDZ-UHFFFAOYSA-N 2 2 326.444 3.104 20 0 EGADLP Cc1nnc(-c2ccc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)cc2)o1 ZINC001235053594 1376843768 /nfs/dbraw/zinc/84/37/68/1376843768.db2.gz ALHBJGQLQVNJDZ-UHFFFAOYSA-N 2 2 326.444 3.104 20 0 EGADLP CCCCCOc1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235114758 1376846500 /nfs/dbraw/zinc/84/65/00/1376846500.db2.gz NAHLTMANWFWWQW-FQEVSTJZSA-N 2 2 332.488 3.210 20 0 EGADLP CCCCCOc1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235114758 1376846513 /nfs/dbraw/zinc/84/65/13/1376846513.db2.gz NAHLTMANWFWWQW-FQEVSTJZSA-N 2 2 332.488 3.210 20 0 EGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)ccc21 ZINC001235116417 1376847555 /nfs/dbraw/zinc/84/75/55/1376847555.db2.gz WFLWTGQRBZWSCO-JOCHJYFZSA-N 2 2 349.478 3.286 20 0 EGADLP Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)ccc21 ZINC001235116417 1376847559 /nfs/dbraw/zinc/84/75/59/1376847559.db2.gz WFLWTGQRBZWSCO-JOCHJYFZSA-N 2 2 349.478 3.286 20 0 EGADLP Fc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCc1ccccc1 ZINC001235190494 1376858468 /nfs/dbraw/zinc/85/84/68/1376858468.db2.gz JUEQQIQIFGIJRP-MOPGFXCFSA-N 2 2 340.442 3.446 20 0 EGADLP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCc1ccccc1 ZINC001235190494 1376858474 /nfs/dbraw/zinc/85/84/74/1376858474.db2.gz JUEQQIQIFGIJRP-MOPGFXCFSA-N 2 2 340.442 3.446 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001135055741 1376870338 /nfs/dbraw/zinc/87/03/38/1376870338.db2.gz HLZYIAUYJOZOLN-JKSUJKDBSA-N 2 2 336.524 3.052 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632741 1376880812 /nfs/dbraw/zinc/88/08/12/1376880812.db2.gz KKRIHCMGLASTCJ-RBUKOAKNSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632741 1376880816 /nfs/dbraw/zinc/88/08/16/1376880816.db2.gz KKRIHCMGLASTCJ-RBUKOAKNSA-N 2 2 346.519 3.193 20 0 EGADLP Cc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(F)c1Br ZINC001236005608 1376925223 /nfs/dbraw/zinc/92/52/23/1376925223.db2.gz KMUCDHKMDHNLHQ-UHFFFAOYSA-N 2 2 341.268 3.472 20 0 EGADLP Fc1ccc(CN(Cc2cccn3cc[nH+]c23)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388082 1376951651 /nfs/dbraw/zinc/95/16/51/1376951651.db2.gz CAARLGYPCZKLIY-LJQANCHMSA-N 2 2 338.430 3.228 20 0 EGADLP Oc1cccc2ccc(C[N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)nc12 ZINC001236654191 1376957957 /nfs/dbraw/zinc/95/79/57/1376957957.db2.gz UBOLDMKVVRKOPM-GOSISDBHSA-N 2 2 325.456 3.437 20 0 EGADLP Oc1cccc2ccc(C[N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)nc12 ZINC001236654191 1376957965 /nfs/dbraw/zinc/95/79/65/1376957965.db2.gz UBOLDMKVVRKOPM-GOSISDBHSA-N 2 2 325.456 3.437 20 0 EGADLP Fc1ccc(Oc2cccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142073 1376976183 /nfs/dbraw/zinc/97/61/83/1376976183.db2.gz LUALERREDNHFKC-HXUWFJFHSA-N 2 2 342.414 3.182 20 0 EGADLP Fc1ccc(Oc2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142073 1376976189 /nfs/dbraw/zinc/97/61/89/1376976189.db2.gz LUALERREDNHFKC-HXUWFJFHSA-N 2 2 342.414 3.182 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)c3c[nH]nc32)C1 ZINC001244400000 1377036791 /nfs/dbraw/zinc/03/67/91/1377036791.db2.gz UYBXKOZSMXAFJE-CYBMUJFWSA-N 2 2 326.831 3.416 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)c3c[nH]nc32)C1 ZINC001244400000 1377036792 /nfs/dbraw/zinc/03/67/92/1377036792.db2.gz UYBXKOZSMXAFJE-CYBMUJFWSA-N 2 2 326.831 3.416 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001245142617 1377043373 /nfs/dbraw/zinc/04/33/73/1377043373.db2.gz DPJVFEBATPNVET-IBGZPJMESA-N 2 2 328.431 3.253 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001245142617 1377043376 /nfs/dbraw/zinc/04/33/76/1377043376.db2.gz DPJVFEBATPNVET-IBGZPJMESA-N 2 2 328.431 3.253 20 0 EGADLP Cc1cc(C)c(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)c[nH+]1 ZINC001249817325 1377079491 /nfs/dbraw/zinc/07/94/91/1377079491.db2.gz FBBSHCFDXCVUCT-UHFFFAOYSA-N 2 2 328.416 3.284 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001136032350 1377305606 /nfs/dbraw/zinc/30/56/06/1377305606.db2.gz ZKQOLMJQCUZBPQ-CABCVRRESA-N 2 2 346.519 3.104 20 0 EGADLP Cc1cccn2c(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)c[nH+]c12 ZINC001136961301 1377446247 /nfs/dbraw/zinc/44/62/47/1377446247.db2.gz IZJFDEIBZBIXIG-UHFFFAOYSA-N 2 2 338.499 3.483 20 0 EGADLP Cc1cccn2c(CN3CCC4(CCC[N@H+]4CC4CC4)CC3)c[nH+]c12 ZINC001136961301 1377446249 /nfs/dbraw/zinc/44/62/49/1377446249.db2.gz IZJFDEIBZBIXIG-UHFFFAOYSA-N 2 2 338.499 3.483 20 0 EGADLP CC[NH+](CC)CCN1CC[NH+](Cc2scc(C)c2Cl)CC1 ZINC001137285699 1377510576 /nfs/dbraw/zinc/51/05/76/1377510576.db2.gz CBBNTRDKQRXZGL-UHFFFAOYSA-N 2 2 329.941 3.169 20 0 EGADLP c1cn(Cc2noc3c2C[N@H+](Cc2cccc4ncccc24)CC3)c[nH+]1 ZINC001137625496 1377574853 /nfs/dbraw/zinc/57/48/53/1377574853.db2.gz OREORLOFUDMYFS-UHFFFAOYSA-N 2 2 345.406 3.026 20 0 EGADLP c1cn(Cc2noc3c2C[N@@H+](Cc2cccc4ncccc24)CC3)c[nH+]1 ZINC001137625496 1377574854 /nfs/dbraw/zinc/57/48/54/1377574854.db2.gz OREORLOFUDMYFS-UHFFFAOYSA-N 2 2 345.406 3.026 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC001137761522 1377612287 /nfs/dbraw/zinc/61/22/87/1377612287.db2.gz PYQKQNTWWHITTE-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC001137761522 1377612288 /nfs/dbraw/zinc/61/22/88/1377612288.db2.gz PYQKQNTWWHITTE-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138111455 1377678616 /nfs/dbraw/zinc/67/86/16/1377678616.db2.gz AGGNVSFCLRWMAO-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138111455 1377678620 /nfs/dbraw/zinc/67/86/20/1377678620.db2.gz AGGNVSFCLRWMAO-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP Cc1c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)[nH]c2ccccc21 ZINC001138398269 1377717399 /nfs/dbraw/zinc/71/73/99/1377717399.db2.gz AMTJPEMDGFLKIA-UHFFFAOYSA-N 2 2 326.444 3.106 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3cccc(C)n3)CC2)cc1 ZINC001138542657 1377738684 /nfs/dbraw/zinc/73/86/84/1377738684.db2.gz DKGFGGBZFAQQRU-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP CCCn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041579 1377821479 /nfs/dbraw/zinc/82/14/79/1377821479.db2.gz LKLNNWWDUSNEDD-SFTDATJTSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041579 1377821481 /nfs/dbraw/zinc/82/14/81/1377821481.db2.gz LKLNNWWDUSNEDD-SFTDATJTSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041579 1377821484 /nfs/dbraw/zinc/82/14/84/1377821484.db2.gz LKLNNWWDUSNEDD-SFTDATJTSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041579 1377821486 /nfs/dbraw/zinc/82/14/86/1377821486.db2.gz LKLNNWWDUSNEDD-SFTDATJTSA-N 2 2 338.499 3.247 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139168836 1377842872 /nfs/dbraw/zinc/84/28/72/1377842872.db2.gz ZLHUQIJZCMBOPL-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139168836 1377842873 /nfs/dbraw/zinc/84/28/73/1377842873.db2.gz ZLHUQIJZCMBOPL-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC001139355812 1377872664 /nfs/dbraw/zinc/87/26/64/1377872664.db2.gz BPHCMBWPIBFLHA-PMACEKPBSA-N 2 2 329.403 3.284 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC001139355812 1377872665 /nfs/dbraw/zinc/87/26/65/1377872665.db2.gz BPHCMBWPIBFLHA-PMACEKPBSA-N 2 2 329.403 3.284 20 0 EGADLP Cc1cncnc1OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139363597 1377874619 /nfs/dbraw/zinc/87/46/19/1377874619.db2.gz HHLSJGLLCPECBL-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001139364234 1377874739 /nfs/dbraw/zinc/87/47/39/1377874739.db2.gz PPKOQLSFAJSBME-SJLPKXTDSA-N 2 2 341.455 3.284 20 0 EGADLP CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001139364234 1377874740 /nfs/dbraw/zinc/87/47/40/1377874740.db2.gz PPKOQLSFAJSBME-SJLPKXTDSA-N 2 2 341.455 3.284 20 0 EGADLP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)ccc1Cl ZINC001139615955 1377919198 /nfs/dbraw/zinc/91/91/98/1377919198.db2.gz SANGCDWIIBVHMH-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP C[C@H]1CCCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139759355 1377947141 /nfs/dbraw/zinc/94/71/41/1377947141.db2.gz CUDFSICGJXCIIA-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@H]1CCCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139759355 1377947148 /nfs/dbraw/zinc/94/71/48/1377947148.db2.gz CUDFSICGJXCIIA-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP CCCC[N@H+](CCC)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139767578 1377948141 /nfs/dbraw/zinc/94/81/41/1377948141.db2.gz WSPURDSKNTYRRO-UHFFFAOYSA-N 2 2 334.504 3.410 20 0 EGADLP CCCC[N@@H+](CCC)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139767578 1377948142 /nfs/dbraw/zinc/94/81/42/1377948142.db2.gz WSPURDSKNTYRRO-UHFFFAOYSA-N 2 2 334.504 3.410 20 0 EGADLP c1ccc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001139996538 1377989240 /nfs/dbraw/zinc/98/92/40/1377989240.db2.gz JLJZZWSMRYAIEN-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001139996538 1377989242 /nfs/dbraw/zinc/98/92/42/1377989242.db2.gz JLJZZWSMRYAIEN-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001139996538 1377989248 /nfs/dbraw/zinc/98/92/48/1377989248.db2.gz JLJZZWSMRYAIEN-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001139996538 1377989250 /nfs/dbraw/zinc/98/92/50/1377989250.db2.gz JLJZZWSMRYAIEN-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)cc2C)CC1 ZINC001140201758 1378031004 /nfs/dbraw/zinc/03/10/04/1378031004.db2.gz YTMWJKQYOVJUAJ-LJQANCHMSA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)cc2C)CC1 ZINC001140201758 1378031007 /nfs/dbraw/zinc/03/10/07/1378031007.db2.gz YTMWJKQYOVJUAJ-LJQANCHMSA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140420412 1378060631 /nfs/dbraw/zinc/06/06/31/1378060631.db2.gz CDDSWFGGGGNQET-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140420412 1378060632 /nfs/dbraw/zinc/06/06/32/1378060632.db2.gz CDDSWFGGGGNQET-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140420412 1378060633 /nfs/dbraw/zinc/06/06/33/1378060633.db2.gz CDDSWFGGGGNQET-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140420412 1378060635 /nfs/dbraw/zinc/06/06/35/1378060635.db2.gz CDDSWFGGGGNQET-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272718118 1378080884 /nfs/dbraw/zinc/08/08/84/1378080884.db2.gz DHIMAIZZIVDBFK-OAQYLSRUSA-N 2 2 347.547 3.120 20 0 EGADLP O=C1N(CC2CCCC2)CC[C@]12CCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272718118 1378080886 /nfs/dbraw/zinc/08/08/86/1378080886.db2.gz DHIMAIZZIVDBFK-OAQYLSRUSA-N 2 2 347.547 3.120 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5ccncc54)C[C@@H]3C2)nc1 ZINC001140643252 1378103551 /nfs/dbraw/zinc/10/35/51/1378103551.db2.gz PXBGXCKGUVYNFU-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1cc(F)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Br ZINC001140700517 1378118397 /nfs/dbraw/zinc/11/83/97/1378118397.db2.gz BWRAFQACFCSVFT-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(F)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Br ZINC001140700517 1378118401 /nfs/dbraw/zinc/11/84/01/1378118401.db2.gz BWRAFQACFCSVFT-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(F)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001140700517 1378118407 /nfs/dbraw/zinc/11/84/07/1378118407.db2.gz BWRAFQACFCSVFT-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001140700517 1378118410 /nfs/dbraw/zinc/11/84/10/1378118410.db2.gz BWRAFQACFCSVFT-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275166329 1378137413 /nfs/dbraw/zinc/13/74/13/1378137413.db2.gz SEXKGYCLIHMEHY-MRXNPFEDSA-N 2 2 334.426 3.438 20 0 EGADLP FC(F)(F)CCC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275166329 1378137415 /nfs/dbraw/zinc/13/74/15/1378137415.db2.gz SEXKGYCLIHMEHY-MRXNPFEDSA-N 2 2 334.426 3.438 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275166329 1378137417 /nfs/dbraw/zinc/13/74/17/1378137417.db2.gz SEXKGYCLIHMEHY-MRXNPFEDSA-N 2 2 334.426 3.438 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275166329 1378137419 /nfs/dbraw/zinc/13/74/19/1378137419.db2.gz SEXKGYCLIHMEHY-MRXNPFEDSA-N 2 2 334.426 3.438 20 0 EGADLP Fc1ccc(F)c(O[C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140803967 1378144662 /nfs/dbraw/zinc/14/46/62/1378144662.db2.gz XFYAWZGCNJNAOD-CQSZACIVSA-N 2 2 329.350 3.494 20 0 EGADLP Fc1ccc(F)c(O[C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140803967 1378144665 /nfs/dbraw/zinc/14/46/65/1378144665.db2.gz XFYAWZGCNJNAOD-CQSZACIVSA-N 2 2 329.350 3.494 20 0 EGADLP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001276161764 1378168640 /nfs/dbraw/zinc/16/86/40/1378168640.db2.gz RBTMOWGFWJTQHZ-UHFFFAOYSA-N 2 2 341.952 3.251 20 0 EGADLP C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141239223 1378279980 /nfs/dbraw/zinc/27/99/80/1378279980.db2.gz JVQJDRCPUOSZGE-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141239223 1378279983 /nfs/dbraw/zinc/27/99/83/1378279983.db2.gz JVQJDRCPUOSZGE-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP CC(=O)OCc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001141787072 1378375890 /nfs/dbraw/zinc/37/58/90/1378375890.db2.gz GUWUVHGIOYVDQS-KRWDZBQOSA-N 2 2 334.460 3.183 20 0 EGADLP CC(=O)OCc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)o1 ZINC001141787072 1378375893 /nfs/dbraw/zinc/37/58/93/1378375893.db2.gz GUWUVHGIOYVDQS-KRWDZBQOSA-N 2 2 334.460 3.183 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC001142554893 1378458640 /nfs/dbraw/zinc/45/86/40/1378458640.db2.gz AWROLXJMDRHVOT-UHFFFAOYSA-N 2 2 333.785 3.281 20 0 EGADLP Cc1c(O)cccc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001144115999 1378684718 /nfs/dbraw/zinc/68/47/18/1378684718.db2.gz IQWVOARPWIYTTB-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1c(O)cccc1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001144115999 1378684719 /nfs/dbraw/zinc/68/47/19/1378684719.db2.gz IQWVOARPWIYTTB-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1c(O)cccc1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001144115999 1378684720 /nfs/dbraw/zinc/68/47/20/1378684720.db2.gz IQWVOARPWIYTTB-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1c(O)cccc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001144115999 1378684721 /nfs/dbraw/zinc/68/47/21/1378684721.db2.gz IQWVOARPWIYTTB-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706432 1378902776 /nfs/dbraw/zinc/90/27/76/1378902776.db2.gz FABPCXXCGFUECT-MSOLQXFVSA-N 2 2 342.487 3.045 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712898 1378904881 /nfs/dbraw/zinc/90/48/81/1378904881.db2.gz FZYORRCXRJPJFA-IAGOWNOFSA-N 2 2 334.508 3.117 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154079021 1380200531 /nfs/dbraw/zinc/20/05/31/1380200531.db2.gz RCSOPWWYMFFTIZ-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154079021 1380200535 /nfs/dbraw/zinc/20/05/35/1380200535.db2.gz RCSOPWWYMFFTIZ-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP Fc1cccc(F)c1-c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nn1 ZINC001155064070 1380401527 /nfs/dbraw/zinc/40/15/27/1380401527.db2.gz MEZGEBJTWUECFE-UHFFFAOYSA-N 2 2 341.365 3.075 20 0 EGADLP C[C@@H]1CCCN(c2cc(NCc3cccc(C[NH+](C)C)c3)[nH+]cn2)C1 ZINC001156051821 1380518815 /nfs/dbraw/zinc/51/88/15/1380518815.db2.gz HZIKSMBALXYDRT-MRXNPFEDSA-N 2 2 339.487 3.387 20 0 EGADLP C[C@@H]1CCCN(c2cc(NCc3cccc(C[NH+](C)C)c3)nc[nH+]2)C1 ZINC001156051821 1380518817 /nfs/dbraw/zinc/51/88/17/1380518817.db2.gz HZIKSMBALXYDRT-MRXNPFEDSA-N 2 2 339.487 3.387 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050341 1381112940 /nfs/dbraw/zinc/11/29/40/1381112940.db2.gz OZVABQGBHUKIGI-SHCNBLLESA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050341 1381112943 /nfs/dbraw/zinc/11/29/43/1381112943.db2.gz OZVABQGBHUKIGI-SHCNBLLESA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050341 1381112947 /nfs/dbraw/zinc/11/29/47/1381112947.db2.gz OZVABQGBHUKIGI-SHCNBLLESA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050341 1381112951 /nfs/dbraw/zinc/11/29/51/1381112951.db2.gz OZVABQGBHUKIGI-SHCNBLLESA-N 2 2 332.492 3.012 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CCCC3CCCC3)ccn12 ZINC001158062313 1381117734 /nfs/dbraw/zinc/11/77/34/1381117734.db2.gz VSBPMLLQRFDTBA-UHFFFAOYSA-N 2 2 342.487 3.323 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001158124690 1381135092 /nfs/dbraw/zinc/13/50/92/1381135092.db2.gz RVDUFUQSBVAQAT-GOSISDBHSA-N 2 2 347.503 3.136 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001158124690 1381135096 /nfs/dbraw/zinc/13/50/96/1381135096.db2.gz RVDUFUQSBVAQAT-GOSISDBHSA-N 2 2 347.503 3.136 20 0 EGADLP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217097 1381160715 /nfs/dbraw/zinc/16/07/15/1381160715.db2.gz CLIYJMOSLMBJKT-HZPDHXFCSA-N 2 2 346.450 3.009 20 0 EGADLP C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217097 1381160717 /nfs/dbraw/zinc/16/07/17/1381160717.db2.gz CLIYJMOSLMBJKT-HZPDHXFCSA-N 2 2 346.450 3.009 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533810 1381285508 /nfs/dbraw/zinc/28/55/08/1381285508.db2.gz HXOGENRVTNXXBR-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533810 1381285513 /nfs/dbraw/zinc/28/55/13/1381285513.db2.gz HXOGENRVTNXXBR-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571692 1381303807 /nfs/dbraw/zinc/30/38/07/1381303807.db2.gz WQMAFHOKYQBGHX-IBMJZYDUSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571692 1381303814 /nfs/dbraw/zinc/30/38/14/1381303814.db2.gz WQMAFHOKYQBGHX-IBMJZYDUSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571692 1381303821 /nfs/dbraw/zinc/30/38/21/1381303821.db2.gz WQMAFHOKYQBGHX-IBMJZYDUSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571692 1381303827 /nfs/dbraw/zinc/30/38/27/1381303827.db2.gz WQMAFHOKYQBGHX-IBMJZYDUSA-N 2 2 346.519 3.258 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCCC(C)(C)C ZINC001328281989 1388713323 /nfs/dbraw/zinc/71/33/23/1388713323.db2.gz FNLAVFKJRFHNSI-IAGOWNOFSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCCC(C)(C)C ZINC001328281989 1388713325 /nfs/dbraw/zinc/71/33/25/1388713325.db2.gz FNLAVFKJRFHNSI-IAGOWNOFSA-N 2 2 348.535 3.148 20 0 EGADLP COc1cc(C)c(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1C ZINC001159322080 1381761570 /nfs/dbraw/zinc/76/15/70/1381761570.db2.gz ZUCLNNKHXUWENS-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP COc1cc(C)c(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c(C)c1 ZINC001159324217 1381762319 /nfs/dbraw/zinc/76/23/19/1381762319.db2.gz XDKGGAKGBWOVBE-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP COc1ccc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)c(C)c1 ZINC001159330822 1381765493 /nfs/dbraw/zinc/76/54/93/1381765493.db2.gz VVABWNVRYZRGIT-UHFFFAOYSA-N 2 2 326.444 3.119 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001159537178 1381820734 /nfs/dbraw/zinc/82/07/34/1381820734.db2.gz NQHKWWVXZIGWMV-MRXNPFEDSA-N 2 2 342.487 3.323 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001159537178 1381820737 /nfs/dbraw/zinc/82/07/37/1381820737.db2.gz NQHKWWVXZIGWMV-MRXNPFEDSA-N 2 2 342.487 3.323 20 0 EGADLP Cc1ccc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)[nH+]c1C ZINC001159625794 1381851136 /nfs/dbraw/zinc/85/11/36/1381851136.db2.gz NEUHXORYAQRISK-MXVIHJGJSA-N 2 2 342.531 3.449 20 0 EGADLP Clc1cc(Nc2cc[nH+]c3[nH]ccc32)ccc1N1CC[NH2+]CC1 ZINC001159858180 1381921188 /nfs/dbraw/zinc/92/11/88/1381921188.db2.gz ASMZMMQZNSLRFV-UHFFFAOYSA-N 2 2 327.819 3.321 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431158 1382101773 /nfs/dbraw/zinc/10/17/73/1382101773.db2.gz NQLGFTIPHXHSQL-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431158 1382101779 /nfs/dbraw/zinc/10/17/79/1382101779.db2.gz NQLGFTIPHXHSQL-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431158 1382101780 /nfs/dbraw/zinc/10/17/80/1382101780.db2.gz NQLGFTIPHXHSQL-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431158 1382101782 /nfs/dbraw/zinc/10/17/82/1382101782.db2.gz NQLGFTIPHXHSQL-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1F ZINC001160990076 1382263303 /nfs/dbraw/zinc/26/33/03/1382263303.db2.gz CWWISCZDAUQAQS-ZDUSSCGKSA-N 2 2 340.402 3.173 20 0 EGADLP COc1ccc2c(cc[nH+]c2N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)c1 ZINC001162875611 1382901092 /nfs/dbraw/zinc/90/10/92/1382901092.db2.gz IDQGDWAVWQZMJD-SFHVURJKSA-N 2 2 343.471 3.402 20 0 EGADLP CCCc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc(CCC)[nH+]1 ZINC001162957318 1382927560 /nfs/dbraw/zinc/92/75/60/1382927560.db2.gz KYEWPUTVNXTGBF-QGZVFWFLSA-N 2 2 346.519 3.342 20 0 EGADLP Cc1cc(N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)[nH+]c2ccccc12 ZINC001163456789 1383055088 /nfs/dbraw/zinc/05/50/88/1383055088.db2.gz MHAGZUBZHKXZLE-SFHVURJKSA-N 2 2 340.471 3.075 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[NH+](C(C)(C)C)CC3)c2cc1OC ZINC001165091285 1383227294 /nfs/dbraw/zinc/22/72/94/1383227294.db2.gz PFWFIXKTZVPRLR-UHFFFAOYSA-N 2 2 329.444 3.173 20 0 EGADLP C[N@@H+]1CCC[C@@H](CCNc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001165279577 1383264686 /nfs/dbraw/zinc/26/46/86/1383264686.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 2 337.265 3.469 20 0 EGADLP C[N@H+]1CCC[C@@H](CCNc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001165279577 1383264689 /nfs/dbraw/zinc/26/46/89/1383264689.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 2 337.265 3.469 20 0 EGADLP C[N@@H+]1CCC[C@@H](CCNc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001165279577 1383264691 /nfs/dbraw/zinc/26/46/91/1383264691.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 2 337.265 3.469 20 0 EGADLP C[N@H+]1CCC[C@@H](CCNc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001165279577 1383264695 /nfs/dbraw/zinc/26/46/95/1383264695.db2.gz WEYRQTOEZGAWHB-NSHDSACASA-N 2 2 337.265 3.469 20 0 EGADLP CCC(CC)C[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718354 1383331552 /nfs/dbraw/zinc/33/15/52/1383331552.db2.gz JLBCIBILXDMRPY-UHFFFAOYSA-N 2 2 348.535 3.239 20 0 EGADLP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001167785785 1383740981 /nfs/dbraw/zinc/74/09/81/1383740981.db2.gz FDVRHIWCJRYJRS-UHFFFAOYSA-N 2 2 329.404 3.326 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001167901250 1383767836 /nfs/dbraw/zinc/76/78/36/1383767836.db2.gz RMTJKQSFCCEIQN-UHFFFAOYSA-N 2 2 346.519 3.107 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001348 1383792605 /nfs/dbraw/zinc/79/26/05/1383792605.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 3 2 341.499 3.249 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001348 1383792610 /nfs/dbraw/zinc/79/26/10/1383792610.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 3 2 341.499 3.249 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001348 1383792614 /nfs/dbraw/zinc/79/26/14/1383792614.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 3 2 341.499 3.249 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001348 1383792619 /nfs/dbraw/zinc/79/26/19/1383792619.db2.gz ATHRGXOEISENLO-JIRNRHONSA-N 3 2 341.499 3.249 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168001975 1383793517 /nfs/dbraw/zinc/79/35/17/1383793517.db2.gz AUACHCFYYHZAOF-YOFSQIOKSA-N 2 2 340.467 3.194 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001168001975 1383793521 /nfs/dbraw/zinc/79/35/21/1383793521.db2.gz AUACHCFYYHZAOF-YOFSQIOKSA-N 2 2 340.467 3.194 20 0 EGADLP COC(=O)c1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168001975 1383793524 /nfs/dbraw/zinc/79/35/24/1383793524.db2.gz AUACHCFYYHZAOF-YOFSQIOKSA-N 2 2 340.467 3.194 20 0 EGADLP COC(=O)c1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168001975 1383793526 /nfs/dbraw/zinc/79/35/26/1383793526.db2.gz AUACHCFYYHZAOF-YOFSQIOKSA-N 2 2 340.467 3.194 20 0 EGADLP C[C@@H]1CC([NH+]2CCC3(CC2)OCCO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168045764 1383804389 /nfs/dbraw/zinc/80/43/89/1383804389.db2.gz KFDOHPSZUVIZEW-QZTJIDSGSA-N 2 2 344.499 3.267 20 0 EGADLP C[NH+](C)Cc1nc(CSCCNc2c[nH+]cc3cc[nH]c32)cs1 ZINC001168108747 1383818238 /nfs/dbraw/zinc/81/82/38/1383818238.db2.gz UCIWZSMKKVEJEX-UHFFFAOYSA-N 2 2 347.513 3.426 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001168476161 1383917657 /nfs/dbraw/zinc/91/76/57/1383917657.db2.gz SZXDKIQBTKXGGM-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001168486700 1383921264 /nfs/dbraw/zinc/92/12/64/1383921264.db2.gz MZVKTTQRLNIPAW-NEWSRXKRSA-N 2 2 339.458 3.216 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168498568 1383923970 /nfs/dbraw/zinc/92/39/70/1383923970.db2.gz UNHCYDRBMBGKBC-OXJNMPFZSA-N 2 2 334.479 3.332 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168498568 1383923973 /nfs/dbraw/zinc/92/39/73/1383923973.db2.gz UNHCYDRBMBGKBC-OXJNMPFZSA-N 2 2 334.479 3.332 20 0 EGADLP Cc1ccc(/C=C/c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2)cc1 ZINC001169073741 1384103586 /nfs/dbraw/zinc/10/35/86/1384103586.db2.gz BLEKNDYJQMBMTD-OVKVCFKUSA-N 2 2 333.435 3.213 20 0 EGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001169086222 1384104814 /nfs/dbraw/zinc/10/48/14/1384104814.db2.gz RRQOGHMLCJCDQE-SFTDATJTSA-N 2 2 330.516 3.440 20 0 EGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001169086222 1384104816 /nfs/dbraw/zinc/10/48/16/1384104816.db2.gz RRQOGHMLCJCDQE-SFTDATJTSA-N 2 2 330.516 3.440 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001169099142 1384106663 /nfs/dbraw/zinc/10/66/63/1384106663.db2.gz OCEZMRYNPFOMGB-XYYAHUGASA-N 2 2 332.341 3.439 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001169099142 1384106665 /nfs/dbraw/zinc/10/66/65/1384106665.db2.gz OCEZMRYNPFOMGB-XYYAHUGASA-N 2 2 332.341 3.439 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(Cc3cccc(Cl)c3)CC1)C2 ZINC001169141673 1384112747 /nfs/dbraw/zinc/11/27/47/1384112747.db2.gz RRQNBGKARKOQNE-REPLKXPHSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(Cc3cccc(Cl)c3)CC1)C2 ZINC001169141673 1384112749 /nfs/dbraw/zinc/11/27/49/1384112749.db2.gz RRQNBGKARKOQNE-REPLKXPHSA-N 2 2 333.907 3.083 20 0 EGADLP CC1(c2cc[nH+]c(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)c2)OCCO1 ZINC001169140789 1384113018 /nfs/dbraw/zinc/11/30/18/1384113018.db2.gz HULRBASPGQFHMD-QAPCUYQASA-N 2 2 333.476 3.257 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccccc3Cl)CC1)C2 ZINC001169141366 1384113124 /nfs/dbraw/zinc/11/31/24/1384113124.db2.gz QEBJWDWLQPOYNL-PIIMJCKOSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccccc3Cl)CC1)C2 ZINC001169141366 1384113126 /nfs/dbraw/zinc/11/31/26/1384113126.db2.gz QEBJWDWLQPOYNL-PIIMJCKOSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](Cc3ccccc3Cl)CC1)C2 ZINC001169141366 1384113128 /nfs/dbraw/zinc/11/31/28/1384113128.db2.gz QEBJWDWLQPOYNL-PIIMJCKOSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[NH+](Cc3ccccc3Cl)CC1)C2 ZINC001169141366 1384113130 /nfs/dbraw/zinc/11/31/30/1384113130.db2.gz QEBJWDWLQPOYNL-PIIMJCKOSA-N 2 2 333.907 3.083 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169144774 1384114129 /nfs/dbraw/zinc/11/41/29/1384114129.db2.gz NKVDBKFZJRQRCX-ORAYPTAESA-N 2 2 344.459 3.305 20 0 EGADLP CCOc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001308336209 1384120055 /nfs/dbraw/zinc/12/00/55/1384120055.db2.gz DQGNHPSANHZVDJ-SFHVURJKSA-N 2 2 340.471 3.233 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)CCO1 ZINC001170197498 1384261536 /nfs/dbraw/zinc/26/15/36/1384261536.db2.gz OVBNNSQAFWPKPM-RBUKOAKNSA-N 2 2 332.488 3.207 20 0 EGADLP Cc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c2c([nH+]1)CCCC2 ZINC001170629366 1384353818 /nfs/dbraw/zinc/35/38/18/1384353818.db2.gz GRBGLTMLHVNRIV-UHFFFAOYSA-N 2 2 340.515 3.398 20 0 EGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)Nc2ccc3c([nH+]2)NCCO3)cc1 ZINC001170754869 1384380580 /nfs/dbraw/zinc/38/05/80/1384380580.db2.gz WKCBJIIGEGRSHO-KRWDZBQOSA-N 2 2 338.455 3.005 20 0 EGADLP CCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170786303 1384385067 /nfs/dbraw/zinc/38/50/67/1384385067.db2.gz RAPGMTJOLYGURM-OAHLLOKOSA-N 2 2 330.476 3.321 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1(C)C ZINC001171052706 1384437380 /nfs/dbraw/zinc/43/73/80/1384437380.db2.gz ZKDYXFXUBTYZPT-YWZLYKJASA-N 2 2 344.503 3.234 20 0 EGADLP Fc1cccc2c1CC[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001171442251 1384524924 /nfs/dbraw/zinc/52/49/24/1384524924.db2.gz OKAOUSDCTHTJPP-QGZVFWFLSA-N 2 2 325.431 3.337 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171474389 1384532918 /nfs/dbraw/zinc/53/29/18/1384532918.db2.gz AVZNSFZAKSCFDT-MRXNPFEDSA-N 2 2 334.508 3.157 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171496692 1384542542 /nfs/dbraw/zinc/54/25/42/1384542542.db2.gz FBZBGQQPHGXSPG-CQSZACIVSA-N 2 2 326.406 3.283 20 0 EGADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccco3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171762311 1384628467 /nfs/dbraw/zinc/62/84/67/1384628467.db2.gz IYUUUUDHCYNVGU-QUCCMNQESA-N 2 2 339.483 3.060 20 0 EGADLP C[C@@H]1C[C@H](N2CC[NH+](Cc3ccco3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171762311 1384628469 /nfs/dbraw/zinc/62/84/69/1384628469.db2.gz IYUUUUDHCYNVGU-QUCCMNQESA-N 2 2 339.483 3.060 20 0 EGADLP Fc1cccc2c1C[C@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)C2 ZINC001171780628 1384633659 /nfs/dbraw/zinc/63/36/59/1384633659.db2.gz NXVHRZADVYMLBF-QGZVFWFLSA-N 2 2 325.431 3.194 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797662 1384641280 /nfs/dbraw/zinc/64/12/80/1384641280.db2.gz XHDJDLZSXUGZHD-RXVVDRJESA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797662 1384641283 /nfs/dbraw/zinc/64/12/83/1384641283.db2.gz XHDJDLZSXUGZHD-RXVVDRJESA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797662 1384641286 /nfs/dbraw/zinc/64/12/86/1384641286.db2.gz XHDJDLZSXUGZHD-RXVVDRJESA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797662 1384641289 /nfs/dbraw/zinc/64/12/89/1384641289.db2.gz XHDJDLZSXUGZHD-RXVVDRJESA-N 2 2 346.490 3.116 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896831 1384673588 /nfs/dbraw/zinc/67/35/88/1384673588.db2.gz VSAKTNCYUMDHBF-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@H](CCCC[NH2+]CCCF)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942320 1384690187 /nfs/dbraw/zinc/69/01/87/1384690187.db2.gz LHDMZRHHDPALRZ-MRXNPFEDSA-N 2 2 346.450 3.110 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987391 1384705584 /nfs/dbraw/zinc/70/55/84/1384705584.db2.gz UOKWPAZIMPIUDY-HXUWFJFHSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987391 1384705590 /nfs/dbraw/zinc/70/55/90/1384705590.db2.gz UOKWPAZIMPIUDY-HXUWFJFHSA-N 3 2 341.543 3.457 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084693 1384723799 /nfs/dbraw/zinc/72/37/99/1384723799.db2.gz CSFHKFDRQSNCJD-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084693 1384723806 /nfs/dbraw/zinc/72/38/06/1384723806.db2.gz CSFHKFDRQSNCJD-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084693 1384723809 /nfs/dbraw/zinc/72/38/09/1384723809.db2.gz CSFHKFDRQSNCJD-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084693 1384723815 /nfs/dbraw/zinc/72/38/15/1384723815.db2.gz CSFHKFDRQSNCJD-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172113697 1384730470 /nfs/dbraw/zinc/73/04/70/1384730470.db2.gz JBAGHDCQAHPABF-BURNTYAHSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172113697 1384730473 /nfs/dbraw/zinc/73/04/73/1384730473.db2.gz JBAGHDCQAHPABF-BURNTYAHSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC001172113525 1384731261 /nfs/dbraw/zinc/73/12/61/1384731261.db2.gz JLNKYPJKWJCSPL-KXTWHKPSSA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC001172113525 1384731264 /nfs/dbraw/zinc/73/12/64/1384731264.db2.gz JLNKYPJKWJCSPL-KXTWHKPSSA-N 2 2 327.516 3.441 20 0 EGADLP CC[N@H+](Cc1cccc(F)c1F)C1CC[NH+](CCCOC)CC1 ZINC001172254615 1384756637 /nfs/dbraw/zinc/75/66/37/1384756637.db2.gz SUCANGXLHXDWGR-UHFFFAOYSA-N 2 2 326.431 3.288 20 0 EGADLP CC[N@@H+](Cc1cccc(F)c1F)C1CC[NH+](CCCOC)CC1 ZINC001172254615 1384756641 /nfs/dbraw/zinc/75/66/41/1384756641.db2.gz SUCANGXLHXDWGR-UHFFFAOYSA-N 2 2 326.431 3.288 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001172362217 1384777784 /nfs/dbraw/zinc/77/77/84/1384777784.db2.gz ROSSPNPNQFOXMR-JKSUJKDBSA-N 2 2 335.492 3.242 20 0 EGADLP C[C@@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)C[C@H]1C ZINC001172381214 1384781853 /nfs/dbraw/zinc/78/18/53/1384781853.db2.gz YMYWWSBNVCFMGC-KZNAEPCWSA-N 2 2 343.519 3.024 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001172798671 1384854803 /nfs/dbraw/zinc/85/48/03/1384854803.db2.gz ZJCPKBQQCBSAHX-RTBURBONSA-N 2 2 348.531 3.449 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001172798671 1384854806 /nfs/dbraw/zinc/85/48/06/1384854806.db2.gz ZJCPKBQQCBSAHX-RTBURBONSA-N 2 2 348.531 3.449 20 0 EGADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=[NH2+])C2CCCCCC2)CC1 ZINC001172888975 1384873268 /nfs/dbraw/zinc/87/32/68/1384873268.db2.gz NCDCBGNYTRMQKN-UHFFFAOYSA-N 2 2 337.508 3.330 20 0 EGADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001173065200 1384906193 /nfs/dbraw/zinc/90/61/93/1384906193.db2.gz JLFAJJLIBWQRHN-OAGGEKHMSA-N 2 2 348.491 3.311 20 0 EGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001173547055 1384981527 /nfs/dbraw/zinc/98/15/27/1384981527.db2.gz NPMSROZBLFHTJL-CYBMUJFWSA-N 2 2 345.314 3.361 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173624101 1384990483 /nfs/dbraw/zinc/99/04/83/1384990483.db2.gz XPQNDBRSAGBNFW-IRXDYDNUSA-N 2 2 327.428 3.084 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001317260011 1385029828 /nfs/dbraw/zinc/02/98/28/1385029828.db2.gz ZISMMSCKHYWDIR-KRWDZBQOSA-N 2 2 348.450 3.089 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317397394 1385113854 /nfs/dbraw/zinc/11/38/54/1385113854.db2.gz LNBOTXOBJBJEHF-LSDHHAIUSA-N 2 2 330.476 3.343 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001317408914 1385120391 /nfs/dbraw/zinc/12/03/91/1385120391.db2.gz NWGMJZDKEBEDJF-GUYCJALGSA-N 2 2 348.878 3.241 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3ccc(N(C)C)[nH+]c3)cc2)CC1 ZINC001175341032 1385257648 /nfs/dbraw/zinc/25/76/48/1385257648.db2.gz AAZICAOTEHTETH-UHFFFAOYSA-N 2 2 325.460 3.033 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175459826 1385298167 /nfs/dbraw/zinc/29/81/67/1385298167.db2.gz BKUGUJGBHTZZNL-MRXNPFEDSA-N 2 2 332.492 3.107 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F)n1cc[nH+]c1 ZINC001175501413 1385313213 /nfs/dbraw/zinc/31/32/13/1385313213.db2.gz DOYQJMJIINEIND-UONOGXRCSA-N 2 2 348.413 3.051 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175504073 1385313611 /nfs/dbraw/zinc/31/36/11/1385313611.db2.gz XUOKKQFQODYNFR-IRXDYDNUSA-N 2 2 340.487 3.239 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175644652 1385361984 /nfs/dbraw/zinc/36/19/84/1385361984.db2.gz OUOSCQAJTIUOCC-IAGOWNOFSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175644652 1385361991 /nfs/dbraw/zinc/36/19/91/1385361991.db2.gz OUOSCQAJTIUOCC-IAGOWNOFSA-N 2 2 348.535 3.433 20 0 EGADLP CN(c1ccc(OCC[NH+]2CCCCC2)cc1)c1[nH+]cccc1N ZINC001175797071 1385408440 /nfs/dbraw/zinc/40/84/40/1385408440.db2.gz ZYCYGAZFBQHQTM-UHFFFAOYSA-N 2 2 326.444 3.296 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176351089 1385559997 /nfs/dbraw/zinc/55/99/97/1385559997.db2.gz PRDYRWCQGPRNSH-MRXNPFEDSA-N 2 2 342.487 3.034 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001318686943 1385840228 /nfs/dbraw/zinc/84/02/28/1385840228.db2.gz SBRJFOCECYQXAP-VBKZILBWSA-N 2 2 342.487 3.177 20 0 EGADLP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318743449 1385850281 /nfs/dbraw/zinc/85/02/81/1385850281.db2.gz GLNFYJGISMMNKR-JLTOFOAXSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001318973920 1385904033 /nfs/dbraw/zinc/90/40/33/1385904033.db2.gz AIGWREZSBGYXKA-BHIYHBOVSA-N 2 2 346.519 3.432 20 0 EGADLP CC[NH2+]CCCN(CC1CCCC1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001177317148 1385911411 /nfs/dbraw/zinc/91/14/11/1385911411.db2.gz OQFRMLWWXCTHBK-UHFFFAOYSA-N 2 2 342.487 3.275 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339652 1385919870 /nfs/dbraw/zinc/91/98/70/1385919870.db2.gz MVLPRSPMBKFWJV-UHFFFAOYSA-N 2 2 334.508 3.141 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339652 1385919873 /nfs/dbraw/zinc/91/98/73/1385919873.db2.gz MVLPRSPMBKFWJV-UHFFFAOYSA-N 2 2 334.508 3.141 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319069638 1385951900 /nfs/dbraw/zinc/95/19/00/1385951900.db2.gz DVLKGVZNTVTAKF-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC001319569872 1386183872 /nfs/dbraw/zinc/18/38/72/1386183872.db2.gz HORKRCRETIKUDV-QGZVFWFLSA-N 2 2 348.406 3.332 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC001319569867 1386184105 /nfs/dbraw/zinc/18/41/05/1386184105.db2.gz HORKRCRETIKUDV-KRWDZBQOSA-N 2 2 348.406 3.332 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(OC(C)C)n1 ZINC001319705409 1386260925 /nfs/dbraw/zinc/26/09/25/1386260925.db2.gz VTJRFOYYNFBQHU-UHFFFAOYSA-N 2 2 337.383 3.010 20 0 EGADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001319714130 1386266082 /nfs/dbraw/zinc/26/60/82/1386266082.db2.gz YNXQQHFGCUIJGH-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](F)CC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823980 1386318167 /nfs/dbraw/zinc/31/81/67/1386318167.db2.gz YTDZWIXWNOIIIC-CQSZACIVSA-N 2 2 334.439 3.191 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178851504 1386328113 /nfs/dbraw/zinc/32/81/13/1386328113.db2.gz DCROUIJNIVRXJZ-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178853445 1386329583 /nfs/dbraw/zinc/32/95/83/1386329583.db2.gz KAHHVMQGPDVZGN-SFHVURJKSA-N 2 2 348.535 3.292 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141866 1386409492 /nfs/dbraw/zinc/40/94/92/1386409492.db2.gz RDQINRHWACVBJS-IKGGRYGDSA-N 2 2 342.487 3.209 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ncccc3C)CC2)c1 ZINC001319992455 1386441073 /nfs/dbraw/zinc/44/10/73/1386441073.db2.gz SEBWRNJAIWGKSH-UHFFFAOYSA-N 2 2 338.499 3.000 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2C[C@H]2C(F)(F)F)CC1 ZINC001179420019 1386479821 /nfs/dbraw/zinc/47/98/21/1386479821.db2.gz ZTJFLCNVOCRAEK-TZMCWYRMSA-N 2 2 347.812 3.132 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179561750 1386515368 /nfs/dbraw/zinc/51/53/68/1386515368.db2.gz ZVXHILALORZNAY-IDOMTICXSA-N 2 2 346.519 3.452 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179776765 1386581504 /nfs/dbraw/zinc/58/15/04/1386581504.db2.gz IKQQIUSHLZXMOM-KRWDZBQOSA-N 2 2 336.524 3.435 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179776765 1386581510 /nfs/dbraw/zinc/58/15/10/1386581510.db2.gz IKQQIUSHLZXMOM-KRWDZBQOSA-N 2 2 336.524 3.435 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001180179664 1386722655 /nfs/dbraw/zinc/72/26/55/1386722655.db2.gz VCBBXXGCJULFBA-UHFFFAOYSA-N 2 2 336.524 3.055 20 0 EGADLP Cc1nc2c(cccc2C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)o1 ZINC001321054632 1386795818 /nfs/dbraw/zinc/79/58/18/1386795818.db2.gz VBEXDVLXKZFYCP-UHFFFAOYSA-N 2 2 333.351 3.278 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001180452704 1386801798 /nfs/dbraw/zinc/80/17/98/1386801798.db2.gz ZKSUKKWTJZUVSF-UHFFFAOYSA-N 2 2 346.519 3.430 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001180469691 1386807123 /nfs/dbraw/zinc/80/71/23/1386807123.db2.gz CSAAODQLNBRAEQ-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP O=C(CC1CC[NH+](Cc2ccccc2)CC1)Nc1cc[nH+]c2c1CCC2 ZINC001182038210 1387097270 /nfs/dbraw/zinc/09/72/70/1387097270.db2.gz JNOBSIHLZHMXGK-UHFFFAOYSA-N 2 2 349.478 3.233 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182874166 1387238246 /nfs/dbraw/zinc/23/82/46/1387238246.db2.gz PDZKUQXMXBYEIT-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ncc1Br ZINC001329710501 1389206401 /nfs/dbraw/zinc/20/64/01/1389206401.db2.gz LRVJJUDJQYDDMZ-JSGCOSHPSA-N 2 2 326.282 3.115 20 0 EGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001334219049 1390500510 /nfs/dbraw/zinc/50/05/10/1390500510.db2.gz YNIPOYBWCWNPGN-QGZVFWFLSA-N 2 2 329.492 3.269 20 0 EGADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001334219049 1390500513 /nfs/dbraw/zinc/50/05/13/1390500513.db2.gz YNIPOYBWCWNPGN-QGZVFWFLSA-N 2 2 329.492 3.269 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629116 1390511946 /nfs/dbraw/zinc/51/19/46/1390511946.db2.gz AYCWKUOYHFXJTC-TZMCWYRMSA-N 2 2 338.521 3.077 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629116 1390511948 /nfs/dbraw/zinc/51/19/48/1390511948.db2.gz AYCWKUOYHFXJTC-TZMCWYRMSA-N 2 2 338.521 3.077 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374726 1392717558 /nfs/dbraw/zinc/71/75/58/1392717558.db2.gz WPDHQKCWQQTNMJ-OALUTQOASA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374726 1392717562 /nfs/dbraw/zinc/71/75/62/1392717562.db2.gz WPDHQKCWQQTNMJ-OALUTQOASA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490766142 1394328835 /nfs/dbraw/zinc/32/88/35/1394328835.db2.gz KPWAOZZCRCUKDY-HNNXBMFYSA-N 2 2 328.460 3.003 20 0 EGADLP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490766142 1394328840 /nfs/dbraw/zinc/32/88/40/1394328840.db2.gz KPWAOZZCRCUKDY-HNNXBMFYSA-N 2 2 328.460 3.003 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481754318 1394498819 /nfs/dbraw/zinc/49/88/19/1394498819.db2.gz MLQXYKUQMOXIMR-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001481754318 1394498820 /nfs/dbraw/zinc/49/88/20/1394498820.db2.gz MLQXYKUQMOXIMR-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@H+](CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)CC1CCCCC1 ZINC001698955218 1406701233 /nfs/dbraw/zinc/70/12/33/1406701233.db2.gz CPTJSWGRNHCVAM-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)CC1CCCCC1 ZINC001698955218 1406701238 /nfs/dbraw/zinc/70/12/38/1406701238.db2.gz CPTJSWGRNHCVAM-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001485949897 1396172721 /nfs/dbraw/zinc/17/27/21/1396172721.db2.gz VISSXKDAORVFGL-STQMWFEESA-N 2 2 348.878 3.112 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699026010 1406861753 /nfs/dbraw/zinc/86/17/53/1406861753.db2.gz BODGYYFXKCZYQI-IRXDYDNUSA-N 2 2 342.487 3.259 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292370 1404452463 /nfs/dbraw/zinc/45/24/63/1404452463.db2.gz USLPKSDIYKGAKK-DJIMGWMZSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292370 1404452468 /nfs/dbraw/zinc/45/24/68/1404452468.db2.gz USLPKSDIYKGAKK-DJIMGWMZSA-N 2 2 346.519 3.042 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001690980262 1404890940 /nfs/dbraw/zinc/89/09/40/1404890940.db2.gz BOESVJZJKKZXNF-CRAIPNDOSA-N 2 2 346.450 3.173 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001690980262 1404890944 /nfs/dbraw/zinc/89/09/44/1404890944.db2.gz BOESVJZJKKZXNF-CRAIPNDOSA-N 2 2 346.450 3.173 20 0 EGADLP C[C@H](CC(=O)N(C)CC[NH2+][C@H](C)c1ccccc1Cl)n1cc[nH+]c1 ZINC001691495613 1405302771 /nfs/dbraw/zinc/30/27/71/1405302771.db2.gz PYUVBRDHSNVLDT-HUUCEWRRSA-N 2 2 348.878 3.297 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(Cl)c1 ZINC001691495750 1405303479 /nfs/dbraw/zinc/30/34/79/1405303479.db2.gz WDPYBONKUAHQRA-LSDHHAIUSA-N 2 2 348.878 3.297 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001732072449 1428321357 /nfs/dbraw/zinc/32/13/57/1428321357.db2.gz DLVBJCBWFVATAH-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001732072449 1428321358 /nfs/dbraw/zinc/32/13/58/1428321358.db2.gz DLVBJCBWFVATAH-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699372651 1412679374 /nfs/dbraw/zinc/67/93/74/1412679374.db2.gz WTJYHNUNBMQUOR-MRXNPFEDSA-N 2 2 339.483 3.477 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001700182084 1413596837 /nfs/dbraw/zinc/59/68/37/1413596837.db2.gz NKZAGCVVYOOYEN-MOPGFXCFSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001700182084 1413596840 /nfs/dbraw/zinc/59/68/40/1413596840.db2.gz NKZAGCVVYOOYEN-MOPGFXCFSA-N 2 2 348.535 3.316 20 0 EGADLP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001700193216 1413626593 /nfs/dbraw/zinc/62/65/93/1413626593.db2.gz SENBRLOUNURPCB-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cccc(C[N@H+](C)CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001700193216 1413626598 /nfs/dbraw/zinc/62/65/98/1413626598.db2.gz SENBRLOUNURPCB-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001713315434 1417940938 /nfs/dbraw/zinc/94/09/38/1417940938.db2.gz WEQSAGPATDVABP-CVEARBPZSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001713315434 1417940941 /nfs/dbraw/zinc/94/09/41/1417940941.db2.gz WEQSAGPATDVABP-CVEARBPZSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]C/C=C\c1ccccc1 ZINC001713412492 1418036009 /nfs/dbraw/zinc/03/60/09/1418036009.db2.gz QKQDQLJCIOVFII-UXHZXRBQSA-N 2 2 348.450 3.146 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001713518339 1418256277 /nfs/dbraw/zinc/25/62/77/1418256277.db2.gz HEGLHAZUOMFVOK-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001713518339 1418256279 /nfs/dbraw/zinc/25/62/79/1418256279.db2.gz HEGLHAZUOMFVOK-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714010194 1418789654 /nfs/dbraw/zinc/78/96/54/1418789654.db2.gz BCQVOGUXGLHZTE-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714010194 1418789655 /nfs/dbraw/zinc/78/96/55/1418789655.db2.gz BCQVOGUXGLHZTE-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001715338228 1420041773 /nfs/dbraw/zinc/04/17/73/1420041773.db2.gz JRILYWQCAASDNU-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001715338228 1420041777 /nfs/dbraw/zinc/04/17/77/1420041777.db2.gz JRILYWQCAASDNU-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001716406967 1420639046 /nfs/dbraw/zinc/63/90/46/1420639046.db2.gz RQGNGULNJHQNKQ-IAGOWNOFSA-N 2 2 342.487 3.252 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001716888695 1421012617 /nfs/dbraw/zinc/01/26/17/1421012617.db2.gz ZSSZDOVUVITQAX-KRWDZBQOSA-N 2 2 348.535 3.489 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001716968308 1421056086 /nfs/dbraw/zinc/05/60/86/1421056086.db2.gz ZGSHRCPPXMADIP-RDJZCZTQSA-N 2 2 342.487 3.211 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717471813 1421405080 /nfs/dbraw/zinc/40/50/80/1421405080.db2.gz FKJPEDGQVVDIDW-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717471813 1421405081 /nfs/dbraw/zinc/40/50/81/1421405081.db2.gz FKJPEDGQVVDIDW-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001723905634 1424601934 /nfs/dbraw/zinc/60/19/34/1424601934.db2.gz HYWRCSXTXPMUNL-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001723905634 1424601942 /nfs/dbraw/zinc/60/19/42/1424601942.db2.gz HYWRCSXTXPMUNL-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189166 1425729466 /nfs/dbraw/zinc/72/94/66/1425729466.db2.gz WQMZHPHAXPTYHJ-CVEARBPZSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189166 1425729471 /nfs/dbraw/zinc/72/94/71/1425729471.db2.gz WQMZHPHAXPTYHJ-CVEARBPZSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001725195458 1425747725 /nfs/dbraw/zinc/74/77/25/1425747725.db2.gz NLHQUFGQWGOLKJ-TZMCWYRMSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001725195458 1425747726 /nfs/dbraw/zinc/74/77/26/1425747726.db2.gz NLHQUFGQWGOLKJ-TZMCWYRMSA-N 2 2 348.878 3.112 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242929 1425853992 /nfs/dbraw/zinc/85/39/92/1425853992.db2.gz WQNUKMUCYOXNME-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242929 1425853995 /nfs/dbraw/zinc/85/39/95/1425853995.db2.gz WQNUKMUCYOXNME-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001731729986 1427806155 /nfs/dbraw/zinc/80/61/55/1427806155.db2.gz PZDYEDPVHXJWHR-OAHLLOKOSA-N 2 2 336.439 3.170 20 0 EGADLP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001752156438 1440147092 /nfs/dbraw/zinc/14/70/92/1440147092.db2.gz JXUVMDDWSQEWAH-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)CCC[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001752310778 1440169952 /nfs/dbraw/zinc/16/99/52/1440169952.db2.gz RRFIYVMICOYJIR-UHFFFAOYSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752508246 1440189809 /nfs/dbraw/zinc/18/98/09/1440189809.db2.gz PFUWKXHGCMUCEY-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752508246 1440189810 /nfs/dbraw/zinc/18/98/10/1440189810.db2.gz PFUWKXHGCMUCEY-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752508246 1440189811 /nfs/dbraw/zinc/18/98/11/1440189811.db2.gz PFUWKXHGCMUCEY-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752508246 1440189812 /nfs/dbraw/zinc/18/98/12/1440189812.db2.gz PFUWKXHGCMUCEY-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1)OC ZINC001752851602 1440233755 /nfs/dbraw/zinc/23/37/55/1440233755.db2.gz WTYXEYUJAHLRLU-DAWZGUTISA-N 2 2 347.503 3.062 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+][C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001752889474 1440240428 /nfs/dbraw/zinc/24/04/28/1440240428.db2.gz SEDQACMOIHTRIT-DNVCBOLYSA-N 2 2 337.467 3.402 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC1CCC(C)(C)CC1 ZINC001753091093 1440298957 /nfs/dbraw/zinc/29/89/57/1440298957.db2.gz IODYDXSNKAGMEH-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC1CCC(C)(C)CC1 ZINC001753091093 1440298958 /nfs/dbraw/zinc/29/89/58/1440298958.db2.gz IODYDXSNKAGMEH-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC001753091093 1440298959 /nfs/dbraw/zinc/29/89/59/1440298959.db2.gz IODYDXSNKAGMEH-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC001753091093 1440298960 /nfs/dbraw/zinc/29/89/60/1440298960.db2.gz IODYDXSNKAGMEH-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001753280897 1440347321 /nfs/dbraw/zinc/34/73/21/1440347321.db2.gz OTKYILHKISHPMD-MWWKQMNYSA-N 2 2 346.519 3.224 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](CCC)C1 ZINC001753319046 1440361865 /nfs/dbraw/zinc/36/18/65/1440361865.db2.gz WMUVFEWUXXJVAV-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](CCC)C1 ZINC001753319046 1440361866 /nfs/dbraw/zinc/36/18/66/1440361866.db2.gz WMUVFEWUXXJVAV-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCC2=CCCCC2)CCCC1 ZINC001753509972 1440425555 /nfs/dbraw/zinc/42/55/55/1440425555.db2.gz KEMCSXDIAVMWHE-UHFFFAOYSA-N 2 2 344.503 3.170 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001753535105 1440432304 /nfs/dbraw/zinc/43/23/04/1440432304.db2.gz CTASLEJNCPGVJT-UUHFFZMRSA-N 2 2 346.519 3.272 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001753622106 1440450656 /nfs/dbraw/zinc/45/06/56/1440450656.db2.gz VUMNPILDRKOMKY-HNNXBMFYSA-N 2 2 336.439 3.027 20 0 EGADLP C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753699919 1440468255 /nfs/dbraw/zinc/46/82/55/1440468255.db2.gz BTTGKBOEWNJPBE-INIZCTEOSA-N 2 2 340.471 3.275 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001753814688 1440493524 /nfs/dbraw/zinc/49/35/24/1440493524.db2.gz VHBUEUVWMZWWSW-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001754003761 1440530509 /nfs/dbraw/zinc/53/05/09/1440530509.db2.gz NCFFKNNDPGHHPR-DLBZAZTESA-N 2 2 346.519 3.289 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001754345083 1440589505 /nfs/dbraw/zinc/58/95/05/1440589505.db2.gz HWFTZLCXHXNWBU-MOPGFXCFSA-N 2 2 344.503 3.038 20 0 EGADLP C[C@@H]([NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1cccc(F)c1 ZINC001754408078 1440595899 /nfs/dbraw/zinc/59/58/99/1440595899.db2.gz WBBOZOFZPAOEJR-CQSZACIVSA-N 2 2 346.450 3.026 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568961 1440636706 /nfs/dbraw/zinc/63/67/06/1440636706.db2.gz IKHSGUHODHENMN-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568961 1440636707 /nfs/dbraw/zinc/63/67/07/1440636707.db2.gz IKHSGUHODHENMN-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001754626901 1440646582 /nfs/dbraw/zinc/64/65/82/1440646582.db2.gz BFZZMOGYPBXOAI-UHFFFAOYSA-N 2 2 347.503 3.040 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001754650877 1440651939 /nfs/dbraw/zinc/65/19/39/1440651939.db2.gz RPOKTPILAGFSRU-IBGZPJMESA-N 2 2 344.503 3.107 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001754650877 1440651940 /nfs/dbraw/zinc/65/19/40/1440651940.db2.gz RPOKTPILAGFSRU-IBGZPJMESA-N 2 2 344.503 3.107 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCC1)n1cc[nH+]c1 ZINC001754651227 1440651992 /nfs/dbraw/zinc/65/19/92/1440651992.db2.gz VBIFRZHWZGVAAT-ZWKOTPCHSA-N 2 2 334.508 3.143 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732655 1440680689 /nfs/dbraw/zinc/68/06/89/1440680689.db2.gz ZNKBMEBORFOXMP-OXQOHEQNSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732655 1440680690 /nfs/dbraw/zinc/68/06/90/1440680690.db2.gz ZNKBMEBORFOXMP-OXQOHEQNSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732655 1440680691 /nfs/dbraw/zinc/68/06/91/1440680691.db2.gz ZNKBMEBORFOXMP-OXQOHEQNSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732655 1440680692 /nfs/dbraw/zinc/68/06/92/1440680692.db2.gz ZNKBMEBORFOXMP-OXQOHEQNSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754794353 1440689147 /nfs/dbraw/zinc/68/91/47/1440689147.db2.gz AOJGCSLXNPSDNS-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754794353 1440689148 /nfs/dbraw/zinc/68/91/48/1440689148.db2.gz AOJGCSLXNPSDNS-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754871096 1440705046 /nfs/dbraw/zinc/70/50/46/1440705046.db2.gz YQMAFWMVOQPKTK-NZSAHSFTSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754871096 1440705047 /nfs/dbraw/zinc/70/50/47/1440705047.db2.gz YQMAFWMVOQPKTK-NZSAHSFTSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754871096 1440705048 /nfs/dbraw/zinc/70/50/48/1440705048.db2.gz YQMAFWMVOQPKTK-NZSAHSFTSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754871096 1440705049 /nfs/dbraw/zinc/70/50/49/1440705049.db2.gz YQMAFWMVOQPKTK-NZSAHSFTSA-N 2 2 346.519 3.090 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](CC[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001754923285 1440709586 /nfs/dbraw/zinc/70/95/86/1440709586.db2.gz LSDJJGLQVKDJNI-RRGWEWPQSA-N 2 2 335.879 3.201 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001754944989 1440712541 /nfs/dbraw/zinc/71/25/41/1440712541.db2.gz OVQUKZLJUIFKQQ-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)c1cccc2[nH+]ccn21 ZINC001754953878 1440715797 /nfs/dbraw/zinc/71/57/97/1440715797.db2.gz PIPCMSDQDBTUKY-QAQDUYKDSA-N 2 2 340.471 3.013 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755024720 1440728094 /nfs/dbraw/zinc/72/80/94/1440728094.db2.gz HHBQWTMQXHRIPV-INIZCTEOSA-N 2 2 328.460 3.337 20 0 EGADLP CCCCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755024720 1440728095 /nfs/dbraw/zinc/72/80/95/1440728095.db2.gz HHBQWTMQXHRIPV-INIZCTEOSA-N 2 2 328.460 3.337 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755301896 1440808970 /nfs/dbraw/zinc/80/89/70/1440808970.db2.gz VFZCSCNAMZVBKB-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755301896 1440808971 /nfs/dbraw/zinc/80/89/71/1440808971.db2.gz VFZCSCNAMZVBKB-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755301896 1440808972 /nfs/dbraw/zinc/80/89/72/1440808972.db2.gz VFZCSCNAMZVBKB-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755301896 1440808973 /nfs/dbraw/zinc/80/89/73/1440808973.db2.gz VFZCSCNAMZVBKB-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)CC1CCCC1 ZINC001755309531 1440812713 /nfs/dbraw/zinc/81/27/13/1440812713.db2.gz CTVQXOUCKPYMSN-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)CC1CCCC1 ZINC001755309531 1440812714 /nfs/dbraw/zinc/81/27/14/1440812714.db2.gz CTVQXOUCKPYMSN-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364815 1440833765 /nfs/dbraw/zinc/83/37/65/1440833765.db2.gz YWISCZLDXDSZAO-JXCVUKRWSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364815 1440833766 /nfs/dbraw/zinc/83/37/66/1440833766.db2.gz YWISCZLDXDSZAO-JXCVUKRWSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364815 1440833767 /nfs/dbraw/zinc/83/37/67/1440833767.db2.gz YWISCZLDXDSZAO-JXCVUKRWSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364815 1440833768 /nfs/dbraw/zinc/83/37/68/1440833768.db2.gz YWISCZLDXDSZAO-JXCVUKRWSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366252 1440834695 /nfs/dbraw/zinc/83/46/95/1440834695.db2.gz NVZVIYFEQINHKG-SHCNBLLESA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366252 1440834696 /nfs/dbraw/zinc/83/46/96/1440834696.db2.gz NVZVIYFEQINHKG-SHCNBLLESA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412929 1440847181 /nfs/dbraw/zinc/84/71/81/1440847181.db2.gz SPWIIVNVCLJYJY-ZWKOTPCHSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412929 1440847182 /nfs/dbraw/zinc/84/71/82/1440847182.db2.gz SPWIIVNVCLJYJY-ZWKOTPCHSA-N 2 2 346.519 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001755536403 1440869755 /nfs/dbraw/zinc/86/97/55/1440869755.db2.gz RYRYIESXFQMUHW-UHFFFAOYSA-N 2 2 334.508 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001755536403 1440869756 /nfs/dbraw/zinc/86/97/56/1440869756.db2.gz RYRYIESXFQMUHW-UHFFFAOYSA-N 2 2 334.508 3.010 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002612 282300401 /nfs/dbraw/zinc/30/04/01/282300401.db2.gz HKLOTICPKDXLKH-KKSFZXQISA-N 2 2 340.515 3.462 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002612 282300405 /nfs/dbraw/zinc/30/04/05/282300405.db2.gz HKLOTICPKDXLKH-KKSFZXQISA-N 2 2 340.515 3.462 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000178698746 232389748 /nfs/dbraw/zinc/38/97/48/232389748.db2.gz NXHHFIOFMBJEAF-GOSISDBHSA-N 3 2 340.515 3.124 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000245502125 283004289 /nfs/dbraw/zinc/00/42/89/283004289.db2.gz BPRMLSVDDZJFJU-OXJNMPFZSA-N 2 2 332.463 3.247 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000245502125 283004291 /nfs/dbraw/zinc/00/42/91/283004291.db2.gz BPRMLSVDDZJFJU-OXJNMPFZSA-N 2 2 332.463 3.247 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000230048006 201044510 /nfs/dbraw/zinc/04/45/10/201044510.db2.gz KLPYSQSHAQOUMX-TYNCELHUSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000230048006 201044514 /nfs/dbraw/zinc/04/45/14/201044514.db2.gz KLPYSQSHAQOUMX-TYNCELHUSA-N 2 2 327.241 3.147 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274818905 201272222 /nfs/dbraw/zinc/27/22/22/201272222.db2.gz JGHJMHHYWLSAEW-JENIJYKNSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274818905 201272225 /nfs/dbraw/zinc/27/22/25/201272225.db2.gz JGHJMHHYWLSAEW-JENIJYKNSA-N 2 2 345.531 3.180 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110118 203339080 /nfs/dbraw/zinc/33/90/80/203339080.db2.gz MQWCDPIYVWEDOT-LJQANCHMSA-N 2 2 337.467 3.079 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110118 203339083 /nfs/dbraw/zinc/33/90/83/203339083.db2.gz MQWCDPIYVWEDOT-LJQANCHMSA-N 2 2 337.467 3.079 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110118 203339085 /nfs/dbraw/zinc/33/90/85/203339085.db2.gz MQWCDPIYVWEDOT-LJQANCHMSA-N 2 2 337.467 3.079 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110118 203339088 /nfs/dbraw/zinc/33/90/88/203339088.db2.gz MQWCDPIYVWEDOT-LJQANCHMSA-N 2 2 337.467 3.079 20 0 EGADLP Cn1c(CCC[NH2+]Cc2c[nH]nc2-c2cccnc2)[nH+]c2ccccc21 ZINC000076901004 203366719 /nfs/dbraw/zinc/36/67/19/203366719.db2.gz ZZYLSTNKFQOYAV-UHFFFAOYSA-N 2 2 346.438 3.081 20 0 EGADLP c1ccc(N2CCC([NH2+]CCCN3CCc4ccccc43)CC2)[nH+]c1 ZINC000236710492 203964078 /nfs/dbraw/zinc/96/40/78/203964078.db2.gz PIYIETRXONHDMA-UHFFFAOYSA-N 2 2 336.483 3.093 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000109796000 204292838 /nfs/dbraw/zinc/29/28/38/204292838.db2.gz JQAYTKUOKVPFRD-INIZCTEOSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2cc1C ZINC000109792285 204293141 /nfs/dbraw/zinc/29/31/41/204293141.db2.gz TZQUKUNMDWSKCW-UHFFFAOYSA-N 2 2 337.423 3.443 20 0 EGADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccccc1Cl ZINC000109796691 204293607 /nfs/dbraw/zinc/29/36/07/204293607.db2.gz MPJZEUVILNMZPQ-UHFFFAOYSA-N 2 2 332.835 3.202 20 0 EGADLP CSCC[C@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000126263037 205048410 /nfs/dbraw/zinc/04/84/10/205048410.db2.gz FQBNUYSIHRMAPO-JKSUJKDBSA-N 2 2 335.517 3.087 20 0 EGADLP CSCC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000126263037 205048416 /nfs/dbraw/zinc/04/84/16/205048416.db2.gz FQBNUYSIHRMAPO-JKSUJKDBSA-N 2 2 335.517 3.087 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000156179175 205067038 /nfs/dbraw/zinc/06/70/38/205067038.db2.gz BCALKDODVGFFMX-HOCLYGCPSA-N 2 2 325.412 3.073 20 0 EGADLP CCn1nccc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129247571 205185551 /nfs/dbraw/zinc/18/55/51/205185551.db2.gz WUIPLBLHNGFUQC-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP CCn1nccc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129247571 205185556 /nfs/dbraw/zinc/18/55/56/205185556.db2.gz WUIPLBLHNGFUQC-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156423550 206076448 /nfs/dbraw/zinc/07/64/48/206076448.db2.gz KXFQIRLNHVJZEX-HDMKZQKVSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156423550 206076453 /nfs/dbraw/zinc/07/64/53/206076453.db2.gz KXFQIRLNHVJZEX-HDMKZQKVSA-N 2 2 344.434 3.241 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472153 206080187 /nfs/dbraw/zinc/08/01/87/206080187.db2.gz WPADTXWEJGWDMR-IGCXYCKISA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472153 206080193 /nfs/dbraw/zinc/08/01/93/206080193.db2.gz WPADTXWEJGWDMR-IGCXYCKISA-N 2 2 348.397 3.071 20 0 EGADLP [NH3+]C1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000157629884 206147189 /nfs/dbraw/zinc/14/71/89/206147189.db2.gz JOUWDAYZPGKQJY-UHFFFAOYSA-N 2 2 331.803 3.091 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000158553930 206198582 /nfs/dbraw/zinc/19/85/82/206198582.db2.gz ODVMJPVCHNYNHQ-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000158553930 206198585 /nfs/dbraw/zinc/19/85/85/206198585.db2.gz ODVMJPVCHNYNHQ-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000158553930 206198590 /nfs/dbraw/zinc/19/85/90/206198590.db2.gz ODVMJPVCHNYNHQ-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000158553930 206198593 /nfs/dbraw/zinc/19/85/93/206198593.db2.gz ODVMJPVCHNYNHQ-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158923978 206216347 /nfs/dbraw/zinc/21/63/47/206216347.db2.gz KLBWETPKKCXPFV-MJGOQNOKSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158923978 206216353 /nfs/dbraw/zinc/21/63/53/206216353.db2.gz KLBWETPKKCXPFV-MJGOQNOKSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158923978 206216358 /nfs/dbraw/zinc/21/63/58/206216358.db2.gz KLBWETPKKCXPFV-MJGOQNOKSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158923978 206216360 /nfs/dbraw/zinc/21/63/60/206216360.db2.gz KLBWETPKKCXPFV-MJGOQNOKSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)[N@@H+]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264933251 247058832 /nfs/dbraw/zinc/05/88/32/247058832.db2.gz YSLWCRZDZJDAJG-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP CC(C)[N@H+]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264933251 247058834 /nfs/dbraw/zinc/05/88/34/247058834.db2.gz YSLWCRZDZJDAJG-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1F ZINC000161599312 206358653 /nfs/dbraw/zinc/35/86/53/206358653.db2.gz RZEWTASPUGZDIC-INIZCTEOSA-N 2 2 328.859 3.367 20 0 EGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1Cl ZINC000174717866 207049518 /nfs/dbraw/zinc/04/95/18/207049518.db2.gz BCMUTJGQILXBJR-UHFFFAOYSA-N 2 2 330.303 3.063 20 0 EGADLP Cc1ccccc1OCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177038171 207286952 /nfs/dbraw/zinc/28/69/52/207286952.db2.gz PKYVDWNJXVIHFQ-UHFFFAOYSA-N 2 2 336.439 3.477 20 0 EGADLP Cc1ccccc1OCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177038171 207286957 /nfs/dbraw/zinc/28/69/57/207286957.db2.gz PKYVDWNJXVIHFQ-UHFFFAOYSA-N 2 2 336.439 3.477 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000268833299 252281774 /nfs/dbraw/zinc/28/17/74/252281774.db2.gz STUAPIAJVKBSPO-MRXNPFEDSA-N 3 2 330.501 3.006 20 0 EGADLP COC[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000374241592 285235751 /nfs/dbraw/zinc/23/57/51/285235751.db2.gz ODXHCSMVMMXKSU-LJQANCHMSA-N 2 2 338.536 3.064 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187287858 533184214 /nfs/dbraw/zinc/18/42/14/533184214.db2.gz JOHIRUGUXAZJDB-KXBFYZLASA-N 2 2 337.467 3.472 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000187287858 533184221 /nfs/dbraw/zinc/18/42/21/533184221.db2.gz JOHIRUGUXAZJDB-KXBFYZLASA-N 2 2 337.467 3.472 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000098144488 140840567 /nfs/dbraw/zinc/84/05/67/140840567.db2.gz SDRVAHFWTSNEBX-ZBFHGGJFSA-N 2 2 342.430 3.031 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1C ZINC000246834220 141037494 /nfs/dbraw/zinc/03/74/94/141037494.db2.gz ZNAIBUWKEUYDKS-CVEARBPZSA-N 2 2 328.460 3.298 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1C ZINC000246834220 141037497 /nfs/dbraw/zinc/03/74/97/141037497.db2.gz ZNAIBUWKEUYDKS-CVEARBPZSA-N 2 2 328.460 3.298 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CSc4ccccc43)CC2)nc1 ZINC000341264255 141147023 /nfs/dbraw/zinc/14/70/23/141147023.db2.gz CDCGVVUQPYFTNW-SFHVURJKSA-N 2 2 325.481 3.483 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)[C@@H](C)C1 ZINC000342812692 141150039 /nfs/dbraw/zinc/15/00/39/141150039.db2.gz MAMFBPRXXORKJB-KNXALSJPSA-N 2 2 338.293 3.225 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)[C@@H](C)C1 ZINC000342812692 141150040 /nfs/dbraw/zinc/15/00/40/141150040.db2.gz MAMFBPRXXORKJB-KNXALSJPSA-N 2 2 338.293 3.225 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CN(Cc3ccccc3)C[C@@H]1C)CCC2 ZINC000344529288 141169654 /nfs/dbraw/zinc/16/96/54/141169654.db2.gz CDZVNBTWCKNZEM-FFZOFVMBSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000359636662 141393967 /nfs/dbraw/zinc/39/39/67/141393967.db2.gz HHWUXPISQVMSBF-HYVNUMGLSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000359636662 141393969 /nfs/dbraw/zinc/39/39/69/141393969.db2.gz HHWUXPISQVMSBF-HYVNUMGLSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194121769 299665104 /nfs/dbraw/zinc/66/51/04/299665104.db2.gz VBSMDHZVAZUIFB-GEALJGNFSA-N 2 2 341.499 3.154 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166533246 143990382 /nfs/dbraw/zinc/99/03/82/143990382.db2.gz NRAWXISIUNSNRG-LBPRGKRZSA-N 2 2 334.261 3.168 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166533246 143990384 /nfs/dbraw/zinc/99/03/84/143990384.db2.gz NRAWXISIUNSNRG-LBPRGKRZSA-N 2 2 334.261 3.168 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)c1 ZINC000171613271 144007563 /nfs/dbraw/zinc/00/75/63/144007563.db2.gz UPPKGVNCROISBW-CYBMUJFWSA-N 2 2 333.382 3.252 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178698964 144075208 /nfs/dbraw/zinc/07/52/08/144075208.db2.gz SZSUAMHBNUIQAF-FXAWDEMLSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178698964 144075209 /nfs/dbraw/zinc/07/52/09/144075209.db2.gz SZSUAMHBNUIQAF-FXAWDEMLSA-N 3 2 326.488 3.082 20 0 EGADLP CC[NH+](CC)CCCC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000184073378 144085568 /nfs/dbraw/zinc/08/55/68/144085568.db2.gz NULKADRVUQKCGQ-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000186570864 144137818 /nfs/dbraw/zinc/13/78/18/144137818.db2.gz RUYLARQKZLAENR-RVKKMQEKSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000186570864 144137819 /nfs/dbraw/zinc/13/78/19/144137819.db2.gz RUYLARQKZLAENR-RVKKMQEKSA-N 2 2 344.528 3.450 20 0 EGADLP Cn1cc([C@@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccc(F)cc2)cn1 ZINC000187514836 144160705 /nfs/dbraw/zinc/16/07/05/144160705.db2.gz KMMVOAMHNLLDTI-IBGZPJMESA-N 2 2 335.386 3.086 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475474 144266453 /nfs/dbraw/zinc/26/64/53/144266453.db2.gz IIVJPMCNQFXECN-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475474 144266454 /nfs/dbraw/zinc/26/64/54/144266454.db2.gz IIVJPMCNQFXECN-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351475474 144266455 /nfs/dbraw/zinc/26/64/55/144266455.db2.gz IIVJPMCNQFXECN-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351475474 144266456 /nfs/dbraw/zinc/26/64/56/144266456.db2.gz IIVJPMCNQFXECN-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851272 144316355 /nfs/dbraw/zinc/31/63/55/144316355.db2.gz KZBHPUAJDXIMNJ-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851272 144316357 /nfs/dbraw/zinc/31/63/57/144316357.db2.gz KZBHPUAJDXIMNJ-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000351880234 144319474 /nfs/dbraw/zinc/31/94/74/144319474.db2.gz WWIXJNOLRWSASL-OAQYLSRUSA-N 2 2 338.499 3.364 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@@H+]2CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000351880234 144319475 /nfs/dbraw/zinc/31/94/75/144319475.db2.gz WWIXJNOLRWSASL-OAQYLSRUSA-N 2 2 338.499 3.364 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000363757291 144362616 /nfs/dbraw/zinc/36/26/16/144362616.db2.gz LEMLFZOZEAOARF-HIFRSBDPSA-N 2 2 344.434 3.215 20 0 EGADLP COc1ccc([C@@H](CNCc2[nH+]cc(C)n2C)[NH+]2CCCCC2)cc1 ZINC000341083568 155147714 /nfs/dbraw/zinc/14/77/14/155147714.db2.gz XCCDQMVJJZOSPF-LJQANCHMSA-N 2 2 342.487 3.054 20 0 EGADLP CC(C)=CCC[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000341472154 155310715 /nfs/dbraw/zinc/31/07/15/155310715.db2.gz AEXIXSDLSRWEIQ-IBGZPJMESA-N 3 2 330.520 3.318 20 0 EGADLP CCCOc1ncccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341518186 155331278 /nfs/dbraw/zinc/33/12/78/155331278.db2.gz QTYNGCLEWMTQGP-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP Cc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000115359090 152008574 /nfs/dbraw/zinc/00/85/74/152008574.db2.gz QPWBZVFMLCRYSM-QGZVFWFLSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000117383471 152096541 /nfs/dbraw/zinc/09/65/41/152096541.db2.gz XNRNFNKPFXWCNM-IYBDPMFKSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000117383471 152096543 /nfs/dbraw/zinc/09/65/43/152096543.db2.gz XNRNFNKPFXWCNM-IYBDPMFKSA-N 2 2 345.512 3.351 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117761987 152115111 /nfs/dbraw/zinc/11/51/11/152115111.db2.gz OKLUDZYYGJTDNC-MRXNPFEDSA-N 2 2 328.460 3.113 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117756823 152115709 /nfs/dbraw/zinc/11/57/09/152115709.db2.gz ZRWCILNIRACUTM-QGZVFWFLSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117756823 152115713 /nfs/dbraw/zinc/11/57/13/152115713.db2.gz ZRWCILNIRACUTM-QGZVFWFLSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)C[N@@H+]1C1CC1 ZINC000119619222 152218347 /nfs/dbraw/zinc/21/83/47/152218347.db2.gz MNGARXQFZGQIEG-RDJZCZTQSA-N 2 2 325.456 3.219 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)C[N@H+]1C1CC1 ZINC000119619222 152218353 /nfs/dbraw/zinc/21/83/53/152218353.db2.gz MNGARXQFZGQIEG-RDJZCZTQSA-N 2 2 325.456 3.219 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000119910237 152236614 /nfs/dbraw/zinc/23/66/14/152236614.db2.gz KQBJKLIESPVPBL-XQQFMLRXSA-N 2 2 330.394 3.254 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000119910237 152236619 /nfs/dbraw/zinc/23/66/19/152236619.db2.gz KQBJKLIESPVPBL-XQQFMLRXSA-N 2 2 330.394 3.254 20 0 EGADLP CCN(C)c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000190749694 153158065 /nfs/dbraw/zinc/15/80/65/153158065.db2.gz ZWYDGSZHDUBDNV-UHFFFAOYSA-N 2 2 335.455 3.072 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000193158717 153280023 /nfs/dbraw/zinc/28/00/23/153280023.db2.gz AUISWZYTVULNSC-XLIONFOSSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000193158717 153280028 /nfs/dbraw/zinc/28/00/28/153280028.db2.gz AUISWZYTVULNSC-XLIONFOSSA-N 2 2 344.499 3.172 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305137565 154084072 /nfs/dbraw/zinc/08/40/72/154084072.db2.gz OYNDDJHOAGEHFW-CYBMUJFWSA-N 2 2 339.549 3.246 20 0 EGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000305138064 154085334 /nfs/dbraw/zinc/08/53/34/154085334.db2.gz PDUVWZAXOVIISN-CQSZACIVSA-N 2 2 342.430 3.094 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310079825 154139170 /nfs/dbraw/zinc/13/91/70/154139170.db2.gz ILDDIMOLGLEIET-NRFANRHFSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310079825 154139174 /nfs/dbraw/zinc/13/91/74/154139174.db2.gz ILDDIMOLGLEIET-NRFANRHFSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000311210442 154146182 /nfs/dbraw/zinc/14/61/82/154146182.db2.gz OWNXJIFYBKGNTN-GOSISDBHSA-N 2 2 341.503 3.035 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000311210442 154146185 /nfs/dbraw/zinc/14/61/85/154146185.db2.gz OWNXJIFYBKGNTN-GOSISDBHSA-N 2 2 341.503 3.035 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]3c3ccccc3)c2cc1C ZINC000336894034 154232815 /nfs/dbraw/zinc/23/28/15/154232815.db2.gz VQWPZDRGXUJRET-UYAOXDASSA-N 2 2 335.451 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]3c3ccccc3)c2cc1C ZINC000336894034 154232819 /nfs/dbraw/zinc/23/28/19/154232819.db2.gz VQWPZDRGXUJRET-UYAOXDASSA-N 2 2 335.451 3.461 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc2cccnc12 ZINC000337387703 154327004 /nfs/dbraw/zinc/32/70/04/154327004.db2.gz FBLDROCIAXPIAZ-SFHVURJKSA-N 2 2 339.483 3.087 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc2cccnc12 ZINC000337387703 154327006 /nfs/dbraw/zinc/32/70/06/154327006.db2.gz FBLDROCIAXPIAZ-SFHVURJKSA-N 2 2 339.483 3.087 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400694 154334512 /nfs/dbraw/zinc/33/45/12/154334512.db2.gz LENOXSDBYNWNMT-ZENLRNHISA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400694 154334514 /nfs/dbraw/zinc/33/45/14/154334514.db2.gz LENOXSDBYNWNMT-ZENLRNHISA-N 2 2 336.426 3.022 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000341693381 155429906 /nfs/dbraw/zinc/42/99/06/155429906.db2.gz RZOYZWNDLQUDKL-GOSISDBHSA-N 2 2 340.471 3.143 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)[NH+]2CCCC2)c1 ZINC000356850503 286468167 /nfs/dbraw/zinc/46/81/67/286468167.db2.gz QPQBINJUEMCIML-KPFFTGBYSA-N 2 2 332.488 3.237 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[NH+]3CCCCCC3)cc2)n1C ZINC000341039220 155127647 /nfs/dbraw/zinc/12/76/47/155127647.db2.gz NILSPUXQTOFNGF-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346823569 156152525 /nfs/dbraw/zinc/15/25/25/156152525.db2.gz HGCJVZZYHXIKBU-FBBABVLZSA-N 2 2 342.483 3.337 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000346823569 156152526 /nfs/dbraw/zinc/15/25/26/156152526.db2.gz HGCJVZZYHXIKBU-FBBABVLZSA-N 2 2 342.483 3.337 20 0 EGADLP CC(C)c1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000346904229 156190228 /nfs/dbraw/zinc/19/02/28/156190228.db2.gz LJCCEQNYFOQNMZ-HNNXBMFYSA-N 2 2 330.501 3.408 20 0 EGADLP CC(C)c1nc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000346904229 156190233 /nfs/dbraw/zinc/19/02/33/156190233.db2.gz LJCCEQNYFOQNMZ-HNNXBMFYSA-N 2 2 330.501 3.408 20 0 EGADLP COC(=O)c1cccc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)c1 ZINC000348922394 156289755 /nfs/dbraw/zinc/28/97/55/156289755.db2.gz QHGXHKMIDFWYRA-UHFFFAOYSA-N 2 2 335.407 3.257 20 0 EGADLP C[NH+](C)CCN(CCCc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000349035444 156325021 /nfs/dbraw/zinc/32/50/21/156325021.db2.gz JKBOIXUVMHYTJE-UHFFFAOYSA-N 2 2 336.483 3.331 20 0 EGADLP Cc1ccn2c(CN(CC[NH+](C)C)Cc3ccc(F)cc3)c[nH+]c2c1 ZINC000349060019 156337062 /nfs/dbraw/zinc/33/70/62/156337062.db2.gz DLCTZRNWLYOYEW-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368586283 157228815 /nfs/dbraw/zinc/22/88/15/157228815.db2.gz XGXZFPMLNOGDAT-XOBRGWDASA-N 2 2 341.430 3.297 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093693361 162022871 /nfs/dbraw/zinc/02/28/71/162022871.db2.gz FHWGIYJMXKQWGB-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093693361 162022875 /nfs/dbraw/zinc/02/28/75/162022875.db2.gz FHWGIYJMXKQWGB-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2N(C)C)cn1 ZINC000093942784 162034375 /nfs/dbraw/zinc/03/43/75/162034375.db2.gz RIRZXRWFMOYECH-OAHLLOKOSA-N 2 2 335.455 3.493 20 0 EGADLP Cc1cc(F)ccc1CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119723434 162242764 /nfs/dbraw/zinc/24/27/64/162242764.db2.gz HKPSVWLJJNDGPJ-UHFFFAOYSA-N 2 2 348.385 3.313 20 0 EGADLP C[S@](=O)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000121838873 162247787 /nfs/dbraw/zinc/24/77/87/162247787.db2.gz BMRVWGQAVLOKHC-YADARESESA-N 2 2 339.464 3.082 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128730355 162332716 /nfs/dbraw/zinc/33/27/16/162332716.db2.gz UVMWFZKZUZSGDV-MRXNPFEDSA-N 2 2 340.471 3.362 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000131330686 162397762 /nfs/dbraw/zinc/39/77/62/162397762.db2.gz HJZKTJHNGSBAIV-SFHVURJKSA-N 3 2 332.536 3.146 20 0 EGADLP C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248954729 163048012 /nfs/dbraw/zinc/04/80/12/163048012.db2.gz FSUCSSSLHQWMQR-INMHGKMJSA-N 2 2 343.479 3.019 20 0 EGADLP C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248954729 163048013 /nfs/dbraw/zinc/04/80/13/163048013.db2.gz FSUCSSSLHQWMQR-INMHGKMJSA-N 2 2 343.479 3.019 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108363 163074935 /nfs/dbraw/zinc/07/49/35/163074935.db2.gz DTFVYMNWPIVNDR-ZWKOTPCHSA-N 2 2 330.497 3.208 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108363 163074937 /nfs/dbraw/zinc/07/49/37/163074937.db2.gz DTFVYMNWPIVNDR-ZWKOTPCHSA-N 2 2 330.497 3.208 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@H](C)C1 ZINC000354334350 166005154 /nfs/dbraw/zinc/00/51/54/166005154.db2.gz MULZMEXSWVBVAG-YLJYHZDGSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@H](C)C1 ZINC000354334350 166005155 /nfs/dbraw/zinc/00/51/55/166005155.db2.gz MULZMEXSWVBVAG-YLJYHZDGSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@@H](C)C1 ZINC000354334344 166005180 /nfs/dbraw/zinc/00/51/80/166005180.db2.gz MULZMEXSWVBVAG-FXAWDEMLSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@@H](C)C1 ZINC000354334344 166005182 /nfs/dbraw/zinc/00/51/82/166005182.db2.gz MULZMEXSWVBVAG-FXAWDEMLSA-N 3 2 333.520 3.049 20 0 EGADLP CCc1oc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C(=O)OC ZINC000338944747 163397799 /nfs/dbraw/zinc/39/77/99/163397799.db2.gz SOMDPFQZZIAZMB-UHFFFAOYSA-N 2 2 339.395 3.104 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000344160440 164116807 /nfs/dbraw/zinc/11/68/07/164116807.db2.gz DQOHPJHRFMWBMM-ROUUACIJSA-N 2 2 340.552 3.305 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccccc3N(C)C)sc2C1 ZINC000344215661 164128834 /nfs/dbraw/zinc/12/88/34/164128834.db2.gz SUHWHCZJSPVXEH-UHFFFAOYSA-N 2 2 344.528 3.265 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccccc3N(C)C)sc2C1 ZINC000344215661 164128835 /nfs/dbraw/zinc/12/88/35/164128835.db2.gz SUHWHCZJSPVXEH-UHFFFAOYSA-N 2 2 344.528 3.265 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@]3(C)CCCO3)c[nH+]c12 ZINC000344368516 164165100 /nfs/dbraw/zinc/16/51/00/164165100.db2.gz VYIRMGOERUXRQT-OAHLLOKOSA-N 2 2 338.249 3.064 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000344533152 164187841 /nfs/dbraw/zinc/18/78/41/164187841.db2.gz OCGNZJSVJYRJRA-LJQANCHMSA-N 2 2 330.859 3.067 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344533152 164187842 /nfs/dbraw/zinc/18/78/42/164187842.db2.gz OCGNZJSVJYRJRA-LJQANCHMSA-N 2 2 330.859 3.067 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344541585 164188435 /nfs/dbraw/zinc/18/84/35/164188435.db2.gz VMCUHUXZCHTTOZ-IBGZPJMESA-N 2 2 330.859 3.067 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541585 164188437 /nfs/dbraw/zinc/18/84/37/164188437.db2.gz VMCUHUXZCHTTOZ-IBGZPJMESA-N 2 2 330.859 3.067 20 0 EGADLP CC1([N@H+](CCn2cc[nH+]c2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000346277974 164364314 /nfs/dbraw/zinc/36/43/14/164364314.db2.gz NQLUZLKLNPIIKP-UHFFFAOYSA-N 2 2 327.428 3.447 20 0 EGADLP CC1([N@@H+](CCn2cc[nH+]c2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000346277974 164364315 /nfs/dbraw/zinc/36/43/15/164364315.db2.gz NQLUZLKLNPIIKP-UHFFFAOYSA-N 2 2 327.428 3.447 20 0 EGADLP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000346352498 164373000 /nfs/dbraw/zinc/37/30/00/164373000.db2.gz OYUFUVPBAODHPP-UHFFFAOYSA-N 2 2 342.487 3.220 20 0 EGADLP C[C@@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945923 166071241 /nfs/dbraw/zinc/07/12/41/166071241.db2.gz FENFMXUMGOCSCA-MSOLQXFVSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945923 166071245 /nfs/dbraw/zinc/07/12/45/166071245.db2.gz FENFMXUMGOCSCA-MSOLQXFVSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748986 165067859 /nfs/dbraw/zinc/06/78/59/165067859.db2.gz RWZUKYKZFOICTI-HKUYNNGSSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748986 165067862 /nfs/dbraw/zinc/06/78/62/165067862.db2.gz RWZUKYKZFOICTI-HKUYNNGSSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748986 165067865 /nfs/dbraw/zinc/06/78/65/165067865.db2.gz RWZUKYKZFOICTI-HKUYNNGSSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748986 165067866 /nfs/dbraw/zinc/06/78/66/165067866.db2.gz RWZUKYKZFOICTI-HKUYNNGSSA-N 2 2 343.515 3.092 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000351330702 165098426 /nfs/dbraw/zinc/09/84/26/165098426.db2.gz QNNXDGVXEYYNEH-LJQANCHMSA-N 2 2 346.519 3.395 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000351330702 165098427 /nfs/dbraw/zinc/09/84/27/165098427.db2.gz QNNXDGVXEYYNEH-LJQANCHMSA-N 2 2 346.519 3.395 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000352072502 165220531 /nfs/dbraw/zinc/22/05/31/165220531.db2.gz WTMGTSWJBSRGLP-OVVXSAMCSA-N 2 2 346.515 3.325 20 0 EGADLP C[NH+](C)Cc1cnc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000352250574 165308683 /nfs/dbraw/zinc/30/86/83/165308683.db2.gz JFIOHUCKJKYSIP-GOSISDBHSA-N 2 2 344.528 3.131 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)s1 ZINC000352250574 165308686 /nfs/dbraw/zinc/30/86/86/165308686.db2.gz JFIOHUCKJKYSIP-GOSISDBHSA-N 2 2 344.528 3.131 20 0 EGADLP CCc1noc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430543 165399799 /nfs/dbraw/zinc/39/97/99/165399799.db2.gz HAIMYCLUJJYNQW-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430543 165399801 /nfs/dbraw/zinc/39/98/01/165399801.db2.gz HAIMYCLUJJYNQW-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430543 165399804 /nfs/dbraw/zinc/39/98/04/165399804.db2.gz HAIMYCLUJJYNQW-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000352430543 165399805 /nfs/dbraw/zinc/39/98/05/165399805.db2.gz HAIMYCLUJJYNQW-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]CCCc3ccc(C)[nH+]c3)n2)c1 ZINC000355138553 166116092 /nfs/dbraw/zinc/11/60/92/166116092.db2.gz VKSVEVNKMLDUFN-OAHLLOKOSA-N 2 2 336.443 3.162 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c[nH+]1 ZINC000355158914 166120165 /nfs/dbraw/zinc/12/01/65/166120165.db2.gz OWJBNWBILNDTLJ-QGZVFWFLSA-N 2 2 329.419 3.400 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c[nH+]1 ZINC000355158914 166120167 /nfs/dbraw/zinc/12/01/67/166120167.db2.gz OWJBNWBILNDTLJ-QGZVFWFLSA-N 2 2 329.419 3.400 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355265849 166149953 /nfs/dbraw/zinc/14/99/53/166149953.db2.gz QHIPPMNGVDIHDB-YOEHRIQHSA-N 2 2 329.444 3.292 20 0 EGADLP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355265849 166149955 /nfs/dbraw/zinc/14/99/55/166149955.db2.gz QHIPPMNGVDIHDB-YOEHRIQHSA-N 2 2 329.444 3.292 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000355294984 166156227 /nfs/dbraw/zinc/15/62/27/166156227.db2.gz QKOKABLPUJTRIH-PMACEKPBSA-N 2 2 338.499 3.084 20 0 EGADLP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667706 166278856 /nfs/dbraw/zinc/27/88/56/166278856.db2.gz YJEVUASWZCLGLI-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667706 166278857 /nfs/dbraw/zinc/27/88/57/166278857.db2.gz YJEVUASWZCLGLI-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667706 166278859 /nfs/dbraw/zinc/27/88/59/166278859.db2.gz YJEVUASWZCLGLI-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667706 166278860 /nfs/dbraw/zinc/27/88/60/166278860.db2.gz YJEVUASWZCLGLI-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1)C1CC1 ZINC000355744328 166294835 /nfs/dbraw/zinc/29/48/35/166294835.db2.gz LINMPUFWMSBRSR-UHFFFAOYSA-N 2 2 348.450 3.249 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1)C1CC1 ZINC000355744328 166294838 /nfs/dbraw/zinc/29/48/38/166294838.db2.gz LINMPUFWMSBRSR-UHFFFAOYSA-N 2 2 348.450 3.249 20 0 EGADLP CSC1(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC000356059949 166388041 /nfs/dbraw/zinc/38/80/41/166388041.db2.gz IDMOLTURQYPSTP-UHFFFAOYSA-N 2 2 334.533 3.316 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359304451 167120655 /nfs/dbraw/zinc/12/06/55/167120655.db2.gz GYVAIULXVQGWPM-SJLPKXTDSA-N 2 2 349.500 3.257 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000359659461 167203660 /nfs/dbraw/zinc/20/36/60/167203660.db2.gz VCODDWBSCPJMBE-VQIMIIECSA-N 2 2 331.504 3.106 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000359783376 167230492 /nfs/dbraw/zinc/23/04/92/167230492.db2.gz HGNXGQSRNMLMRS-MRXNPFEDSA-N 2 2 328.460 3.031 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000359783376 167230495 /nfs/dbraw/zinc/23/04/95/167230495.db2.gz HGNXGQSRNMLMRS-MRXNPFEDSA-N 2 2 328.460 3.031 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)c(C)c2c1 ZINC000360339598 167306143 /nfs/dbraw/zinc/30/61/43/167306143.db2.gz VFMJVHLZDBKLRO-HNNXBMFYSA-N 2 2 346.471 3.247 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360561454 167358433 /nfs/dbraw/zinc/35/84/33/167358433.db2.gz IZZPEUNMBBUDNT-OAQYLSRUSA-N 2 2 335.451 3.124 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360561454 167358437 /nfs/dbraw/zinc/35/84/37/167358437.db2.gz IZZPEUNMBBUDNT-OAQYLSRUSA-N 2 2 335.451 3.124 20 0 EGADLP COc1ccc(F)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000366038584 168074843 /nfs/dbraw/zinc/07/48/43/168074843.db2.gz HTRKUQCIBBJCAV-UHFFFAOYSA-N 2 2 326.375 3.013 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437851 168225780 /nfs/dbraw/zinc/22/57/80/168225780.db2.gz JZGRYNVNUPLGEF-GDBMZVCRSA-N 2 2 348.491 3.002 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CCC(Cc4cccnc4)CC3)cn2)c[nH+]1 ZINC000367521487 168236770 /nfs/dbraw/zinc/23/67/70/168236770.db2.gz WPRHPWGQTLNKAJ-UHFFFAOYSA-N 2 2 333.439 3.117 20 0 EGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000367742562 168265735 /nfs/dbraw/zinc/26/57/35/168265735.db2.gz VFMWXNVVJNULNZ-MRXNPFEDSA-N 2 2 335.492 3.044 20 0 EGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000367742562 168265738 /nfs/dbraw/zinc/26/57/38/168265738.db2.gz VFMWXNVVJNULNZ-MRXNPFEDSA-N 2 2 335.492 3.044 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000178332257 265308923 /nfs/dbraw/zinc/30/89/23/265308923.db2.gz JEJHNGQRVKKQBW-WMLDXEAASA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000178332257 265308927 /nfs/dbraw/zinc/30/89/27/265308927.db2.gz JEJHNGQRVKKQBW-WMLDXEAASA-N 2 2 342.430 3.295 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000268881353 266284759 /nfs/dbraw/zinc/28/47/59/266284759.db2.gz FKVYVRTYYRSMJR-CHWSQXEVSA-N 2 2 335.883 3.220 20 0 EGADLP Brc1cccc(C2=CC[N@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000273841645 267122536 /nfs/dbraw/zinc/12/25/36/267122536.db2.gz JKDUKHUDPZKEAN-UHFFFAOYSA-N 2 2 332.245 3.435 20 0 EGADLP Brc1cccc(C2=CC[N@@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000273841645 267122538 /nfs/dbraw/zinc/12/25/38/267122538.db2.gz JKDUKHUDPZKEAN-UHFFFAOYSA-N 2 2 332.245 3.435 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890588 267134087 /nfs/dbraw/zinc/13/40/87/267134087.db2.gz TVVFHMXRPZNRLW-WDEREUQCSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890588 267134088 /nfs/dbraw/zinc/13/40/88/267134088.db2.gz TVVFHMXRPZNRLW-WDEREUQCSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890587 267134423 /nfs/dbraw/zinc/13/44/23/267134423.db2.gz TVVFHMXRPZNRLW-QWRGUYRKSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890587 267134425 /nfs/dbraw/zinc/13/44/25/267134425.db2.gz TVVFHMXRPZNRLW-QWRGUYRKSA-N 2 2 342.256 3.118 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274786278 267286225 /nfs/dbraw/zinc/28/62/25/267286225.db2.gz ATBHCUFMLPNOTL-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274786278 267286228 /nfs/dbraw/zinc/28/62/28/267286228.db2.gz ATBHCUFMLPNOTL-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823221 267292635 /nfs/dbraw/zinc/29/26/35/267292635.db2.gz KKWCLJCDTNFOFX-RHSMWYFYSA-N 2 2 348.441 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823221 267292636 /nfs/dbraw/zinc/29/26/36/267292636.db2.gz KKWCLJCDTNFOFX-RHSMWYFYSA-N 2 2 348.441 3.358 20 0 EGADLP C[C@H](c1cccnc1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565931 268040670 /nfs/dbraw/zinc/04/06/70/268040670.db2.gz IUZJCBBIBVSION-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1cccnc1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565931 268040673 /nfs/dbraw/zinc/04/06/73/268040673.db2.gz IUZJCBBIBVSION-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1cccnc1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278565931 268040676 /nfs/dbraw/zinc/04/06/76/268040676.db2.gz IUZJCBBIBVSION-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1cccnc1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278565931 268040678 /nfs/dbraw/zinc/04/06/78/268040678.db2.gz IUZJCBBIBVSION-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000188764450 275218867 /nfs/dbraw/zinc/21/88/67/275218867.db2.gz QVYSGWJOUCXNLH-QGZVFWFLSA-N 2 2 339.483 3.448 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000192179202 275223619 /nfs/dbraw/zinc/22/36/19/275223619.db2.gz XEMCAVMJFACQJE-LJQANCHMSA-N 2 2 340.471 3.095 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C12CCC2 ZINC000271888186 275238948 /nfs/dbraw/zinc/23/89/48/275238948.db2.gz REPBOEHQTZYFOU-OALUTQOASA-N 2 2 325.456 3.369 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277500519 275254671 /nfs/dbraw/zinc/25/46/71/275254671.db2.gz PGTIFQRDIKOGJT-BLLLJJGKSA-N 2 2 345.830 3.398 20 0 EGADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc(OC)c1 ZINC000278640825 275261620 /nfs/dbraw/zinc/26/16/20/275261620.db2.gz IYXBBUXGQWVKJJ-UHFFFAOYSA-N 2 2 342.439 3.451 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCc4occc43)[nH+]c2)C1 ZINC000278696488 275266447 /nfs/dbraw/zinc/26/64/47/275266447.db2.gz KUQMTOVDMOQSPM-WBVHZDCISA-N 2 2 326.444 3.304 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000278889966 275284817 /nfs/dbraw/zinc/28/48/17/275284817.db2.gz YMQDQRLAOFRUTR-KKUMJFAQSA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000278889966 275284818 /nfs/dbraw/zinc/28/48/18/275284818.db2.gz YMQDQRLAOFRUTR-KKUMJFAQSA-N 2 2 334.460 3.370 20 0 EGADLP CCn1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000279695966 275350614 /nfs/dbraw/zinc/35/06/14/275350614.db2.gz QKOKABLPUJTRIH-BGYRXZFFSA-N 2 2 338.499 3.084 20 0 EGADLP CCn1nc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000279695966 275350616 /nfs/dbraw/zinc/35/06/16/275350616.db2.gz QKOKABLPUJTRIH-BGYRXZFFSA-N 2 2 338.499 3.084 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000279695966 275350617 /nfs/dbraw/zinc/35/06/17/275350617.db2.gz QKOKABLPUJTRIH-BGYRXZFFSA-N 2 2 338.499 3.084 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000279695966 275350619 /nfs/dbraw/zinc/35/06/19/275350619.db2.gz QKOKABLPUJTRIH-BGYRXZFFSA-N 2 2 338.499 3.084 20 0 EGADLP COCCC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000282272434 275617265 /nfs/dbraw/zinc/61/72/65/275617265.db2.gz KNINQWHAURRGGF-QZTJIDSGSA-N 2 2 340.508 3.320 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282709304 275662745 /nfs/dbraw/zinc/66/27/45/275662745.db2.gz KNCYHTFKDUEHKQ-CQSZACIVSA-N 2 2 343.240 3.096 20 0 EGADLP OCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000285505637 275883442 /nfs/dbraw/zinc/88/34/42/275883442.db2.gz JLGZEOHZDIPKAU-HNNXBMFYSA-N 2 2 328.243 3.293 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000373392569 276060810 /nfs/dbraw/zinc/06/08/10/276060810.db2.gz JLQMXDSAMPRIGO-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373392569 276060813 /nfs/dbraw/zinc/06/08/13/276060813.db2.gz JLQMXDSAMPRIGO-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000373392569 276060814 /nfs/dbraw/zinc/06/08/14/276060814.db2.gz JLQMXDSAMPRIGO-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373392569 276060816 /nfs/dbraw/zinc/06/08/16/276060816.db2.gz JLQMXDSAMPRIGO-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947958 276061617 /nfs/dbraw/zinc/06/16/17/276061617.db2.gz MLYAOIDFABWAQZ-YLJYHZDGSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947958 276061618 /nfs/dbraw/zinc/06/16/18/276061618.db2.gz MLYAOIDFABWAQZ-YLJYHZDGSA-N 2 2 347.466 3.192 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000287451256 276120721 /nfs/dbraw/zinc/12/07/21/276120721.db2.gz HZGLNUKXKKCNKU-UHFFFAOYSA-N 2 2 330.476 3.428 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)[C@@H](C)C1 ZINC000337556796 276254140 /nfs/dbraw/zinc/25/41/40/276254140.db2.gz RVTCGVLZRVYRLY-CQDKDKBSSA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)[C@@H](C)C1 ZINC000337556796 276254141 /nfs/dbraw/zinc/25/41/41/276254141.db2.gz RVTCGVLZRVYRLY-CQDKDKBSSA-N 2 2 339.277 3.203 20 0 EGADLP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000289167942 276299197 /nfs/dbraw/zinc/29/91/97/276299197.db2.gz HLFDRWYFUXSUNC-LJQANCHMSA-N 2 2 341.503 3.242 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391760 276332138 /nfs/dbraw/zinc/33/21/38/276332138.db2.gz NOLYEFXASUPLGF-WDSOQIARSA-N 2 2 341.503 3.012 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391760 276332140 /nfs/dbraw/zinc/33/21/40/276332140.db2.gz NOLYEFXASUPLGF-WDSOQIARSA-N 2 2 341.503 3.012 20 0 EGADLP CC(C)(CO)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cccs1 ZINC000289458704 276341983 /nfs/dbraw/zinc/34/19/83/276341983.db2.gz YBSONADLWXNPAZ-KRWDZBQOSA-N 2 2 342.468 3.178 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCCCC2 ZINC000344097523 276344925 /nfs/dbraw/zinc/34/49/25/276344925.db2.gz RZOFIJYQGJHKPX-QZTJIDSGSA-N 2 2 331.504 3.479 20 0 EGADLP COc1cncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000289707685 276381440 /nfs/dbraw/zinc/38/14/40/276381440.db2.gz FOMUIBQKDJNKJF-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000289707685 276381441 /nfs/dbraw/zinc/38/14/41/276381441.db2.gz FOMUIBQKDJNKJF-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C3=CCCC3)cc2)CC1 ZINC000290293729 276476108 /nfs/dbraw/zinc/47/61/08/276476108.db2.gz FGHTWWZCXGAWFL-UHFFFAOYSA-N 2 2 341.499 3.010 20 0 EGADLP Cc1ccc2[nH+]c(CN(Cc3ccco3)C3CC[NH+](C)CC3)cn2c1 ZINC000290409238 276491620 /nfs/dbraw/zinc/49/16/20/276491620.db2.gz JXPKMTCDMDKBIB-UHFFFAOYSA-N 2 2 338.455 3.332 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000290445766 276496909 /nfs/dbraw/zinc/49/69/09/276496909.db2.gz MAYUKSBMXIXJPV-UHFFFAOYSA-N 2 2 337.471 3.478 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188007524 280254719 /nfs/dbraw/zinc/25/47/19/280254719.db2.gz APCIWNDLCIRDRJ-MSOLQXFVSA-N 2 2 330.451 3.492 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188007524 280254721 /nfs/dbraw/zinc/25/47/21/280254721.db2.gz APCIWNDLCIRDRJ-MSOLQXFVSA-N 2 2 330.451 3.492 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000362340084 288738347 /nfs/dbraw/zinc/73/83/47/288738347.db2.gz PRNCVWXPPMEFDW-MRXNPFEDSA-N 2 2 347.507 3.014 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356846865 290387501 /nfs/dbraw/zinc/38/75/01/290387501.db2.gz JESSLOQILLJQRN-HNNXBMFYSA-N 3 2 335.458 3.257 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356846865 290387502 /nfs/dbraw/zinc/38/75/02/290387502.db2.gz JESSLOQILLJQRN-HNNXBMFYSA-N 3 2 335.458 3.257 20 0 EGADLP COc1ccccc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000275527746 295361401 /nfs/dbraw/zinc/36/14/01/295361401.db2.gz CQJUVXDXAUHNNP-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP COc1ccccc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000275527746 295361403 /nfs/dbraw/zinc/36/14/03/295361403.db2.gz CQJUVXDXAUHNNP-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189368549 303111806 /nfs/dbraw/zinc/11/18/06/303111806.db2.gz GLQGDHZZXSEAFX-ZDUSSCGKSA-N 2 2 344.368 3.151 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000189368549 303111808 /nfs/dbraw/zinc/11/18/08/303111808.db2.gz GLQGDHZZXSEAFX-ZDUSSCGKSA-N 2 2 344.368 3.151 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000129574899 307616692 /nfs/dbraw/zinc/61/66/92/307616692.db2.gz RABFBBJDQJGBQL-HOCLYGCPSA-N 3 2 347.469 3.256 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084801 309060124 /nfs/dbraw/zinc/06/01/24/309060124.db2.gz XUAZCSPUAORZSI-HZPDHXFCSA-N 2 2 344.528 3.454 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084801 309060125 /nfs/dbraw/zinc/06/01/25/309060125.db2.gz XUAZCSPUAORZSI-HZPDHXFCSA-N 2 2 344.528 3.454 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nn1C ZINC000414350561 309074573 /nfs/dbraw/zinc/07/45/73/309074573.db2.gz LRNYAVFHLMFPMR-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)nn1C ZINC000414363728 309075271 /nfs/dbraw/zinc/07/52/71/309075271.db2.gz YISSMDLNRGMULN-UHFFFAOYSA-N 2 2 338.455 3.243 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nn1C ZINC000414363728 309075272 /nfs/dbraw/zinc/07/52/72/309075272.db2.gz YISSMDLNRGMULN-UHFFFAOYSA-N 2 2 338.455 3.243 20 0 EGADLP FC(F)COCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249286961 308021976 /nfs/dbraw/zinc/02/19/76/308021976.db2.gz LTQMGEXLIAOZTK-QZTJIDSGSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249286961 308021977 /nfs/dbraw/zinc/02/19/77/308021977.db2.gz LTQMGEXLIAOZTK-QZTJIDSGSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249286961 308021978 /nfs/dbraw/zinc/02/19/78/308021978.db2.gz LTQMGEXLIAOZTK-QZTJIDSGSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249286961 308021979 /nfs/dbraw/zinc/02/19/79/308021979.db2.gz LTQMGEXLIAOZTK-QZTJIDSGSA-N 2 2 338.442 3.255 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000292944500 308082627 /nfs/dbraw/zinc/08/26/27/308082627.db2.gz IWVWTHJXKNPSQJ-UHFFFAOYSA-N 2 2 348.441 3.211 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292949066 308083271 /nfs/dbraw/zinc/08/32/71/308083271.db2.gz KLGOIYBOWBVUDK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292949066 308083274 /nfs/dbraw/zinc/08/32/74/308083274.db2.gz KLGOIYBOWBVUDK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292949066 308083276 /nfs/dbraw/zinc/08/32/76/308083276.db2.gz KLGOIYBOWBVUDK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292949066 308083279 /nfs/dbraw/zinc/08/32/79/308083279.db2.gz KLGOIYBOWBVUDK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP FC(F)Cn1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000293142339 308103218 /nfs/dbraw/zinc/10/32/18/308103218.db2.gz ZXLPNFCMAAZJSR-KRWDZBQOSA-N 2 2 334.414 3.075 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746323 308158006 /nfs/dbraw/zinc/15/80/06/308158006.db2.gz PUCOXPVIFMIUAK-LZWOXQAQSA-N 2 2 328.435 3.287 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746323 308158008 /nfs/dbraw/zinc/15/80/08/308158008.db2.gz PUCOXPVIFMIUAK-LZWOXQAQSA-N 2 2 328.435 3.287 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C)cs1 ZINC000414527578 309086715 /nfs/dbraw/zinc/08/67/15/309086715.db2.gz MXJRCUXAESSYKX-QZTJIDSGSA-N 2 2 345.512 3.078 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C)cs1 ZINC000414527578 309086716 /nfs/dbraw/zinc/08/67/16/309086716.db2.gz MXJRCUXAESSYKX-QZTJIDSGSA-N 2 2 345.512 3.078 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2)[NH+](CC)CC)cc1 ZINC000294489945 308225966 /nfs/dbraw/zinc/22/59/66/308225966.db2.gz JPPKVRJAXLEJGL-LJQANCHMSA-N 2 2 342.487 3.035 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1Cl ZINC000294884527 308267466 /nfs/dbraw/zinc/26/74/66/308267466.db2.gz FTNYUZVRGJKHHO-AWEZNQCLSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1Cl ZINC000294884527 308267467 /nfs/dbraw/zinc/26/74/67/308267467.db2.gz FTNYUZVRGJKHHO-AWEZNQCLSA-N 2 2 336.863 3.044 20 0 EGADLP CC[C@](C[NH2+]CCCc1c[nH+]ccc1C)(C(=O)OC)c1ccccc1 ZINC000414587965 309090849 /nfs/dbraw/zinc/09/08/49/309090849.db2.gz NKUBRONIIIQKHJ-OAQYLSRUSA-N 2 2 340.467 3.433 20 0 EGADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000295620570 308344413 /nfs/dbraw/zinc/34/44/13/308344413.db2.gz GXNRTTXKRPISAU-SFHVURJKSA-N 2 2 334.423 3.398 20 0 EGADLP CCn1cccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000295861048 308368379 /nfs/dbraw/zinc/36/83/79/308368379.db2.gz WVOBBQPHFPYLOP-UHFFFAOYSA-N 2 2 327.476 3.046 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)c1 ZINC000414651735 309093708 /nfs/dbraw/zinc/09/37/08/309093708.db2.gz GCJKNOODDBANBA-UHFFFAOYSA-N 2 2 342.439 3.291 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)c1 ZINC000414651735 309093709 /nfs/dbraw/zinc/09/37/09/309093709.db2.gz GCJKNOODDBANBA-UHFFFAOYSA-N 2 2 342.439 3.291 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000414771278 309099754 /nfs/dbraw/zinc/09/97/54/309099754.db2.gz QVNUKGCRINLNSH-DNVCBOLYSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000414771278 309099755 /nfs/dbraw/zinc/09/97/55/309099755.db2.gz QVNUKGCRINLNSH-DNVCBOLYSA-N 2 2 325.456 3.316 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000414812231 309103109 /nfs/dbraw/zinc/10/31/09/309103109.db2.gz XGRIHGVBTUGDNK-GFCCVEGCSA-N 2 2 337.183 3.295 20 0 EGADLP Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)nc[nH+]1 ZINC000301263601 308694050 /nfs/dbraw/zinc/69/40/50/308694050.db2.gz HOXJLQBXOJXXSE-INIZCTEOSA-N 2 2 326.444 3.097 20 0 EGADLP C[NH2+]CC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 ZINC000414839054 309104896 /nfs/dbraw/zinc/10/48/96/309104896.db2.gz ZYKZSCXJNMJHIL-UHFFFAOYSA-N 2 2 338.430 3.296 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414841309 309104936 /nfs/dbraw/zinc/10/49/36/309104936.db2.gz HQTFXPWEXKORMH-GOSISDBHSA-N 2 2 328.504 3.458 20 0 EGADLP COC(=O)c1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)oc1C ZINC000414842622 309104973 /nfs/dbraw/zinc/10/49/73/309104973.db2.gz IWDMMIAFWHZIER-GOSISDBHSA-N 2 2 330.428 3.288 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OCc1ccccc1 ZINC000414845686 309105145 /nfs/dbraw/zinc/10/51/45/309105145.db2.gz MJMZUBCADJWWHF-SFHVURJKSA-N 2 2 326.440 3.116 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000414844904 309105227 /nfs/dbraw/zinc/10/52/27/309105227.db2.gz DFVNAMUMKVXSBK-CVEARBPZSA-N 3 2 335.923 3.282 20 0 EGADLP O=C(Nc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1)c1ccccc1Cl ZINC000414847382 309105347 /nfs/dbraw/zinc/10/53/47/309105347.db2.gz OODJNZDMHBRORN-MRXNPFEDSA-N 2 2 343.858 3.434 20 0 EGADLP O=C1Nc2ccccc2C12CCC([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330313499 308794075 /nfs/dbraw/zinc/79/40/75/308794075.db2.gz OURMWKYEVLVKDI-CHWWFWEZSA-N 2 2 336.439 3.270 20 0 EGADLP Cc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c2cccc(F)c2[nH+]1 ZINC000333692094 308865982 /nfs/dbraw/zinc/86/59/82/308865982.db2.gz PURXFNAOILFXJU-YLJYHZDGSA-N 2 2 343.446 3.405 20 0 EGADLP COc1cc[nH+]cc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413284488 309025178 /nfs/dbraw/zinc/02/51/78/309025178.db2.gz VALHUYNCADWKFX-UHFFFAOYSA-N 2 2 325.412 3.328 20 0 EGADLP Brc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Br ZINC000414862741 309106196 /nfs/dbraw/zinc/10/61/96/309106196.db2.gz HPCQLWMOCHHAJJ-SNVBAGLBSA-N 2 2 348.082 3.053 20 0 EGADLP c1c(C[NH2+]C[C@H]2CCC[NH2+]2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000414853348 309105701 /nfs/dbraw/zinc/10/57/01/309105701.db2.gz XQBCCSQZVHXATD-LJQANCHMSA-N 2 2 332.451 3.381 20 0 EGADLP [NH3+]C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000414855296 309105795 /nfs/dbraw/zinc/10/57/95/309105795.db2.gz WRBGACCQJGPJPB-OAQYLSRUSA-N 3 2 347.522 3.330 20 0 EGADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H](C)C[NH3+])c1 ZINC000414922612 309109449 /nfs/dbraw/zinc/10/94/49/309109449.db2.gz CSBHVPHJXQNSRI-OAHLLOKOSA-N 2 2 338.430 3.424 20 0 EGADLP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3[NH2+]CCc4ccccc43)s2)cn1 ZINC000414953046 309111035 /nfs/dbraw/zinc/11/10/35/309111035.db2.gz JIMWPEPGORMGBV-SFHVURJKSA-N 2 2 338.480 3.125 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414952402 309111123 /nfs/dbraw/zinc/11/11/23/309111123.db2.gz IDOQGVKGMWWCRR-PZJWPPBQSA-N 2 2 342.458 3.250 20 0 EGADLP COc1sc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1Br ZINC000415065334 309117944 /nfs/dbraw/zinc/11/79/44/309117944.db2.gz MPFRTJAATIRILK-LBPRGKRZSA-N 2 2 333.295 3.126 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000415079516 309118880 /nfs/dbraw/zinc/11/88/80/309118880.db2.gz HWOZSMGVYJMSSP-RCCFBDPRSA-N 3 2 335.561 3.499 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415124971 309122008 /nfs/dbraw/zinc/12/20/08/309122008.db2.gz KSLQVQADYSBZLO-JSGCOSHPSA-N 2 2 326.868 3.164 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415124971 309122007 /nfs/dbraw/zinc/12/20/07/309122007.db2.gz KSLQVQADYSBZLO-JSGCOSHPSA-N 2 2 326.868 3.164 20 0 EGADLP C[C@H]1CCCC[C@H]1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415128076 309122340 /nfs/dbraw/zinc/12/23/40/309122340.db2.gz JMVNLEPHKAZXKJ-ICSRJNTNSA-N 3 2 329.532 3.396 20 0 EGADLP CN(CC(C)(C)C[NH3+])C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415186984 309125370 /nfs/dbraw/zinc/12/53/70/309125370.db2.gz OFKFXRAYSYLAJN-UHFFFAOYSA-N 2 2 328.416 3.323 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000415292693 309130122 /nfs/dbraw/zinc/13/01/22/309130122.db2.gz KCQRWZHBXJBMAN-MRXNPFEDSA-N 2 2 341.459 3.305 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H](C)C[NH3+])c1 ZINC000415298841 309130492 /nfs/dbraw/zinc/13/04/92/309130492.db2.gz XKIAPPMQRLRIKE-CQSZACIVSA-N 2 2 329.448 3.067 20 0 EGADLP CCn1c[nH+]cc1CN1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000417683690 309217842 /nfs/dbraw/zinc/21/78/42/309217842.db2.gz NVZGEYUKISERFZ-UHFFFAOYSA-N 2 2 326.488 3.344 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000419299012 309263471 /nfs/dbraw/zinc/26/34/71/309263471.db2.gz XQMXYKBZFOEICU-AWEZNQCLSA-N 2 2 347.528 3.342 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)n1C ZINC000419689457 309271112 /nfs/dbraw/zinc/27/11/12/309271112.db2.gz IUFDSRPQWSXAPI-OAHLLOKOSA-N 2 2 334.851 3.143 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420309270 309280980 /nfs/dbraw/zinc/28/09/80/309280980.db2.gz DVEOXGGAAOEXQI-PZJWPPBQSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420309270 309280981 /nfs/dbraw/zinc/28/09/81/309280981.db2.gz DVEOXGGAAOEXQI-PZJWPPBQSA-N 2 2 337.467 3.346 20 0 EGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341787 309283353 /nfs/dbraw/zinc/28/33/53/309283353.db2.gz VWRCOHGPGKUXMI-DLBZAZTESA-N 2 2 336.863 3.018 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)cc1OC ZINC000420353841 309283645 /nfs/dbraw/zinc/28/36/45/309283645.db2.gz CDUXDCXJJHKZCI-INIZCTEOSA-N 2 2 349.500 3.290 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420359402 309284200 /nfs/dbraw/zinc/28/42/00/309284200.db2.gz KLAHUJMFVIWCPY-AWEZNQCLSA-N 2 2 344.286 3.429 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)c1OC ZINC000420369286 309284667 /nfs/dbraw/zinc/28/46/67/309284667.db2.gz UWZBFBKPDKTMRV-OAHLLOKOSA-N 2 2 349.500 3.290 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420375648 309284982 /nfs/dbraw/zinc/28/49/82/309284982.db2.gz JFCIIMOBURAWJR-XIRDDKMYSA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420375648 309284983 /nfs/dbraw/zinc/28/49/83/309284983.db2.gz JFCIIMOBURAWJR-XIRDDKMYSA-N 2 2 331.504 3.362 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420377676 309285310 /nfs/dbraw/zinc/28/53/10/309285310.db2.gz WIVMMWKZSLKIIA-GQIGUUNPSA-N 2 2 325.456 3.137 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378041 309285321 /nfs/dbraw/zinc/28/53/21/309285321.db2.gz BAJPRZJSWICVII-LPHOPBHVSA-N 2 2 329.488 3.213 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378041 309285322 /nfs/dbraw/zinc/28/53/22/309285322.db2.gz BAJPRZJSWICVII-LPHOPBHVSA-N 2 2 329.488 3.213 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381196 309285324 /nfs/dbraw/zinc/28/53/24/309285324.db2.gz CKJLAFFLXVDQRE-HKUYNNGSSA-N 2 2 330.472 3.252 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381196 309285325 /nfs/dbraw/zinc/28/53/25/309285325.db2.gz CKJLAFFLXVDQRE-HKUYNNGSSA-N 2 2 330.472 3.252 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392034 309285919 /nfs/dbraw/zinc/28/59/19/309285919.db2.gz IVLZGGSZQCOAHZ-DZGCQCFKSA-N 2 2 334.414 3.395 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392034 309285920 /nfs/dbraw/zinc/28/59/20/309285920.db2.gz IVLZGGSZQCOAHZ-DZGCQCFKSA-N 2 2 334.414 3.395 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420389248 309285939 /nfs/dbraw/zinc/28/59/39/309285939.db2.gz HJOJHQJNFIWJPH-PBHICJAKSA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420389248 309285940 /nfs/dbraw/zinc/28/59/40/309285940.db2.gz HJOJHQJNFIWJPH-PBHICJAKSA-N 2 2 330.451 3.159 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392067 309285961 /nfs/dbraw/zinc/28/59/61/309285961.db2.gz IXAYCRZGYVXDNH-YLJYHZDGSA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392067 309285962 /nfs/dbraw/zinc/28/59/62/309285962.db2.gz IXAYCRZGYVXDNH-YLJYHZDGSA-N 2 2 337.467 3.242 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408892 309286874 /nfs/dbraw/zinc/28/68/74/309286874.db2.gz WKFQEUBIQMCQKI-KSSFIOAISA-N 2 2 346.425 3.115 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408892 309286875 /nfs/dbraw/zinc/28/68/75/309286875.db2.gz WKFQEUBIQMCQKI-KSSFIOAISA-N 2 2 346.425 3.115 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408885 309287004 /nfs/dbraw/zinc/28/70/04/309287004.db2.gz WKFQEUBIQMCQKI-KBXCAEBGSA-N 2 2 346.425 3.115 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408885 309287005 /nfs/dbraw/zinc/28/70/05/309287005.db2.gz WKFQEUBIQMCQKI-KBXCAEBGSA-N 2 2 346.425 3.115 20 0 EGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(F)c(F)c1 ZINC000420899588 309299972 /nfs/dbraw/zinc/29/99/72/309299972.db2.gz GBJXUPDPONEIHL-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(F)c(F)c1 ZINC000420899588 309299973 /nfs/dbraw/zinc/29/99/73/309299973.db2.gz GBJXUPDPONEIHL-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP Fc1ccc2c(c1)CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420933766 309302182 /nfs/dbraw/zinc/30/21/82/309302182.db2.gz IHQBMTRVVBRYSI-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1ccc2c(c1)CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420933766 309302183 /nfs/dbraw/zinc/30/21/83/309302183.db2.gz IHQBMTRVVBRYSI-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP c1cc2c(s1)C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420937400 309302423 /nfs/dbraw/zinc/30/24/23/309302423.db2.gz LIAHXNVEOONLBV-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP c1cc2c(s1)C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420937400 309302424 /nfs/dbraw/zinc/30/24/24/309302424.db2.gz LIAHXNVEOONLBV-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP CC(C)([C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000420953969 309303941 /nfs/dbraw/zinc/30/39/41/309303941.db2.gz VLKLLTGBXMCXDS-QIIPPGSGSA-N 2 2 338.442 3.241 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000420959343 309304270 /nfs/dbraw/zinc/30/42/70/309304270.db2.gz FGTSRBLZYXGVFW-FQEVSTJZSA-N 2 2 346.540 3.236 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000420959343 309304271 /nfs/dbraw/zinc/30/42/71/309304271.db2.gz FGTSRBLZYXGVFW-FQEVSTJZSA-N 2 2 346.540 3.236 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000420959344 309304442 /nfs/dbraw/zinc/30/44/42/309304442.db2.gz FGTSRBLZYXGVFW-HXUWFJFHSA-N 2 2 346.540 3.236 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000420959344 309304443 /nfs/dbraw/zinc/30/44/43/309304443.db2.gz FGTSRBLZYXGVFW-HXUWFJFHSA-N 2 2 346.540 3.236 20 0 EGADLP Brc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000420970503 309305165 /nfs/dbraw/zinc/30/51/65/309305165.db2.gz ITEYTPYENHCXMB-HNNXBMFYSA-N 2 2 334.261 3.353 20 0 EGADLP Brc1ccccc1C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000420970503 309305166 /nfs/dbraw/zinc/30/51/66/309305166.db2.gz ITEYTPYENHCXMB-HNNXBMFYSA-N 2 2 334.261 3.353 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973728 309305443 /nfs/dbraw/zinc/30/54/43/309305443.db2.gz CRONTJCOWFXGQP-LEWJYISDSA-N 2 2 345.506 3.174 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H]3C[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000420973728 309305444 /nfs/dbraw/zinc/30/54/44/309305444.db2.gz CRONTJCOWFXGQP-LEWJYISDSA-N 2 2 345.506 3.174 20 0 EGADLP CCC(CC)[C@H](C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013312 309350963 /nfs/dbraw/zinc/35/09/63/309350963.db2.gz FEHWSKXLCPMGBN-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP CCC(CC)[C@H](C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013312 309350964 /nfs/dbraw/zinc/35/09/64/309350964.db2.gz FEHWSKXLCPMGBN-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3=CCC(C)(C)CC3)CC2)CC1 ZINC000422027825 309351859 /nfs/dbraw/zinc/35/18/59/309351859.db2.gz XBIIZQMJHSVYIS-UHFFFAOYSA-N 2 2 347.547 3.142 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3=CCC(C)(C)CC3)CC2)CC1 ZINC000422027825 309351860 /nfs/dbraw/zinc/35/18/60/309351860.db2.gz XBIIZQMJHSVYIS-UHFFFAOYSA-N 2 2 347.547 3.142 20 0 EGADLP CCOc1cc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000422696283 309363709 /nfs/dbraw/zinc/36/37/09/309363709.db2.gz RDWPTUPEKWHENM-KBPBESRZSA-N 2 2 328.403 3.307 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422733226 309365757 /nfs/dbraw/zinc/36/57/57/309365757.db2.gz QLKLWHXKRPBRCX-KDOFPFPSSA-N 3 2 344.528 3.398 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422795164 309368607 /nfs/dbraw/zinc/36/86/07/309368607.db2.gz ZSJSIFOVNSUTDC-MGPUTAFESA-N 3 2 326.488 3.111 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805184 309369502 /nfs/dbraw/zinc/36/95/02/309369502.db2.gz IREVOFCQRPNANA-BHDDXSALSA-N 3 2 341.543 3.335 20 0 EGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805184 309369503 /nfs/dbraw/zinc/36/95/03/309369503.db2.gz IREVOFCQRPNANA-BHDDXSALSA-N 3 2 341.543 3.335 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422811819 309369699 /nfs/dbraw/zinc/36/96/99/309369699.db2.gz POMHIBXIOWNXHO-WFVVYAPDSA-N 2 2 330.863 3.036 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422820814 309370155 /nfs/dbraw/zinc/37/01/55/309370155.db2.gz SIONLQDYDQARHC-WIYYLYMNSA-N 3 2 348.494 3.022 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)s2)cc1 ZINC000422822459 309370319 /nfs/dbraw/zinc/37/03/19/309370319.db2.gz KCICYKVIJNDXBM-HOCLYGCPSA-N 2 2 346.496 3.280 20 0 EGADLP CO[C@H](C)c1nc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000422845243 309371658 /nfs/dbraw/zinc/37/16/58/309371658.db2.gz BHHPAZUYDXVVQN-KMFMINBZSA-N 2 2 331.485 3.433 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422851859 309372075 /nfs/dbraw/zinc/37/20/75/309372075.db2.gz XLHYGTVGLCNMGZ-CABCVRRESA-N 2 2 338.442 3.133 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000422885952 309374121 /nfs/dbraw/zinc/37/41/21/309374121.db2.gz ZREKWUVOVHUGJP-JHJVBQTASA-N 2 2 331.287 3.454 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)cn2)n1 ZINC000422898516 309375036 /nfs/dbraw/zinc/37/50/36/309375036.db2.gz MIMPVGADSSQXEX-OALUTQOASA-N 2 2 333.439 3.119 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000422925996 309376347 /nfs/dbraw/zinc/37/63/47/309376347.db2.gz CEVSADPPSHQHLG-YPMHNXCESA-N 2 2 329.271 3.339 20 0 EGADLP CC[C@H]([NH2+]Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422937072 309377043 /nfs/dbraw/zinc/37/70/43/309377043.db2.gz CDYAECWMZLIJDP-KBPBESRZSA-N 2 2 327.266 3.078 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422954687 309377830 /nfs/dbraw/zinc/37/78/30/309377830.db2.gz HYVXCWRBXNWGCM-BBRMVZONSA-N 2 2 342.405 3.441 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000422952948 309377906 /nfs/dbraw/zinc/37/79/06/309377906.db2.gz DLNMQFLSNOGTCI-SLYNCCJLSA-N 2 2 340.467 3.163 20 0 EGADLP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCC[NH2+]1 ZINC000422955578 309377983 /nfs/dbraw/zinc/37/79/83/309377983.db2.gz JPUINWJYQIXGDT-SWLSCSKDSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000422959797 309378169 /nfs/dbraw/zinc/37/81/69/309378169.db2.gz UOIDQJATGIYGMO-SIZVQLJJSA-N 2 2 344.503 3.028 20 0 EGADLP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCCC[NH2+]1 ZINC000422984559 309379514 /nfs/dbraw/zinc/37/95/14/309379514.db2.gz YIXAIPQPRSOFMP-DOMZBBRYSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008837 309380721 /nfs/dbraw/zinc/38/07/21/309380721.db2.gz BFJZOOODJGFCED-KXBFYZLASA-N 2 2 325.456 3.061 20 0 EGADLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(=O)Nc1nccs1 ZINC000423013408 309380945 /nfs/dbraw/zinc/38/09/45/309380945.db2.gz FWPUCGFBVCCWHA-JYJNAYRXSA-N 2 2 344.484 3.231 20 0 EGADLP CC[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]1 ZINC000423054359 309383403 /nfs/dbraw/zinc/38/34/03/309383403.db2.gz UOWGQHGZPNODIN-GJZGRUSLSA-N 2 2 339.277 3.004 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423110947 309386402 /nfs/dbraw/zinc/38/64/02/309386402.db2.gz POOBLOQVDVRWSF-NQBHXWOUSA-N 2 2 345.256 3.006 20 0 EGADLP CC(C)Oc1ccc([C@@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423124522 309387056 /nfs/dbraw/zinc/38/70/56/309387056.db2.gz MQQBPQFIZYERCV-FOIQADDNSA-N 2 2 342.487 3.235 20 0 EGADLP [NH3+]CC[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423181190 309389358 /nfs/dbraw/zinc/38/93/58/309389358.db2.gz JBXVTLHBEGHZOU-GFCCVEGCSA-N 2 2 348.082 3.137 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423196941 309390083 /nfs/dbraw/zinc/39/00/83/309390083.db2.gz WYURAQKTHPIDOR-VHSXEESVSA-N 2 2 336.329 3.292 20 0 EGADLP FC(F)(F)[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423233814 309391688 /nfs/dbraw/zinc/39/16/88/309391688.db2.gz OWHVMRZKVVGWOD-INIZCTEOSA-N 2 2 336.361 3.207 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ncc(Br)s1 ZINC000423259921 309392838 /nfs/dbraw/zinc/39/28/38/309392838.db2.gz GBMWWCXJGLTNDB-ONGXEEELSA-N 2 2 332.311 3.464 20 0 EGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272181 309393305 /nfs/dbraw/zinc/39/33/05/309393305.db2.gz YWXIAZWEYBDXFR-OXQOHEQNSA-N 3 2 333.520 3.185 20 0 EGADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423318950 309394943 /nfs/dbraw/zinc/39/49/43/309394943.db2.gz LEZWEFVHLHTANC-UFBFGSQYSA-N 2 2 336.329 3.277 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330162 309395645 /nfs/dbraw/zinc/39/56/45/309395645.db2.gz TYWYXRARCLBHQJ-PLACYPQZSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330162 309395646 /nfs/dbraw/zinc/39/56/46/309395646.db2.gz TYWYXRARCLBHQJ-PLACYPQZSA-N 3 2 327.516 3.004 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423340292 309395948 /nfs/dbraw/zinc/39/59/48/309395948.db2.gz VWLFGMIBZRNPJH-ACJLOTCBSA-N 2 2 347.894 3.269 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340553 309396136 /nfs/dbraw/zinc/39/61/36/309396136.db2.gz XJTBBXAPYHNMQN-XUVXKRRUSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340553 309396137 /nfs/dbraw/zinc/39/61/37/309396137.db2.gz XJTBBXAPYHNMQN-XUVXKRRUSA-N 3 2 327.516 3.148 20 0 EGADLP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1I ZINC000423365683 309397242 /nfs/dbraw/zinc/39/72/42/309397242.db2.gz PJJAPRKYWGMHJP-NWDGAFQWSA-N 2 2 344.240 3.084 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423377895 309397692 /nfs/dbraw/zinc/39/76/92/309397692.db2.gz KQHZLANPGJODIA-RISCZKNCSA-N 2 2 327.266 3.250 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423384603 309397954 /nfs/dbraw/zinc/39/79/54/309397954.db2.gz QDQFSOCYHKMIGM-HLLBOEOZSA-N 2 2 338.467 3.422 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CCC[NH2+]1 ZINC000423409774 309399145 /nfs/dbraw/zinc/39/91/45/309399145.db2.gz CEOGTLGPMHGCCG-UYAOXDASSA-N 2 2 327.472 3.212 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CCC[NH2+]1 ZINC000423434485 309400330 /nfs/dbraw/zinc/40/03/30/309400330.db2.gz SAVIQXGNQVNKIB-JXFKEZNVSA-N 2 2 325.456 3.168 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423481718 309402144 /nfs/dbraw/zinc/40/21/44/309402144.db2.gz QQUBWOQHHTVOCW-NXEZZACHSA-N 2 2 336.694 3.201 20 0 EGADLP Clc1ccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423514587 309404040 /nfs/dbraw/zinc/40/40/40/309404040.db2.gz DJASWBILMAOWKG-RBUKOAKNSA-N 2 2 330.859 3.202 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)nnn1-c1ccc(C)cc1 ZINC000423533909 309405221 /nfs/dbraw/zinc/40/52/21/309405221.db2.gz UQNJPDPAWUIJGU-KSSFIOAISA-N 2 2 327.476 3.052 20 0 EGADLP C[NH2+]CCCN(C)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000424015844 309425530 /nfs/dbraw/zinc/42/55/30/309425530.db2.gz AWVIFRWGWRJXBH-UHFFFAOYSA-N 2 2 333.819 3.209 20 0 EGADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000425234033 309469626 /nfs/dbraw/zinc/46/96/26/309469626.db2.gz LPYXFBOCWXSVDW-RDJZCZTQSA-N 2 2 342.487 3.024 20 0 EGADLP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000430547126 309610262 /nfs/dbraw/zinc/61/02/62/309610262.db2.gz FERPUFALWNGMDK-LBPRGKRZSA-N 2 2 348.516 3.396 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000430552957 309610517 /nfs/dbraw/zinc/61/05/17/309610517.db2.gz CDPTYWJUQARHLF-CQSZACIVSA-N 2 2 349.784 3.014 20 0 EGADLP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000433154921 309680181 /nfs/dbraw/zinc/68/01/81/309680181.db2.gz VOUJDAUFRITVCB-KRWDZBQOSA-N 2 2 326.444 3.056 20 0 EGADLP COCCC1(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000436278169 309751434 /nfs/dbraw/zinc/75/14/34/309751434.db2.gz CGYRDNUYQGWRAM-ROUUACIJSA-N 2 2 326.525 3.062 20 0 EGADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000442714675 309885095 /nfs/dbraw/zinc/88/50/95/309885095.db2.gz ACKZLCRJCHCKLI-QGZVFWFLSA-N 2 2 326.444 3.342 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3c(c1)OCCCCO3)CCC2 ZINC000449168362 310041893 /nfs/dbraw/zinc/04/18/93/310041893.db2.gz MCNHFYMJXNAIJX-QGZVFWFLSA-N 2 2 341.455 3.410 20 0 EGADLP C[C@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238571 310046681 /nfs/dbraw/zinc/04/66/81/310046681.db2.gz GUKCYKCOYLHNSS-IVZQSRNASA-N 2 2 330.582 3.364 20 0 EGADLP C[C@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238571 310046682 /nfs/dbraw/zinc/04/66/82/310046682.db2.gz GUKCYKCOYLHNSS-IVZQSRNASA-N 2 2 330.582 3.364 20 0 EGADLP CN(Cc1ccccc1)C1(C[NH2+]Cc2cccc3[nH+]ccn32)CCC1 ZINC000449479095 310065459 /nfs/dbraw/zinc/06/54/59/310065459.db2.gz UCBWUFLAKOSNOI-UHFFFAOYSA-N 2 2 334.467 3.479 20 0 EGADLP CCO[C@@H]1CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@@H]1C ZINC000449496714 310066843 /nfs/dbraw/zinc/06/68/43/310066843.db2.gz JHBCZIKASCGWJY-GOEBONIOSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@@H]1C ZINC000449496714 310066844 /nfs/dbraw/zinc/06/68/44/310066844.db2.gz JHBCZIKASCGWJY-GOEBONIOSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@@H]1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C[C@@H]1C ZINC000449496714 310066845 /nfs/dbraw/zinc/06/68/45/310066845.db2.gz JHBCZIKASCGWJY-GOEBONIOSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@@H]1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C[C@@H]1C ZINC000449496714 310066846 /nfs/dbraw/zinc/06/68/46/310066846.db2.gz JHBCZIKASCGWJY-GOEBONIOSA-N 2 2 337.533 3.157 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000449653660 310077803 /nfs/dbraw/zinc/07/78/03/310077803.db2.gz COFNPBIQOSERSP-QYZOEREBSA-N 2 2 342.487 3.306 20 0 EGADLP COc1cccnc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449750125 310084245 /nfs/dbraw/zinc/08/42/45/310084245.db2.gz SSEJMIZFKHVUOX-UHFFFAOYSA-N 2 2 343.446 3.026 20 0 EGADLP C[N@H+](C/C=C\c1ccncc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785711 310087301 /nfs/dbraw/zinc/08/73/01/310087301.db2.gz IMSQRQWGXWPHLC-IHWYPQMZSA-N 2 2 327.394 3.443 20 0 EGADLP C[N@@H+](C/C=C\c1ccncc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785711 310087302 /nfs/dbraw/zinc/08/73/02/310087302.db2.gz IMSQRQWGXWPHLC-IHWYPQMZSA-N 2 2 327.394 3.443 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CC[NH+](Cc4cc(C)on4)CC3)c2c1 ZINC000450227441 310109617 /nfs/dbraw/zinc/10/96/17/310109617.db2.gz PYWYLLWKLJHAQT-UHFFFAOYSA-N 2 2 336.439 3.416 20 0 EGADLP COc1cccc2c1cc[nH+]c2N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000450409737 310120723 /nfs/dbraw/zinc/12/07/23/310120723.db2.gz WPNXGNBTNAATOW-MRXNPFEDSA-N 2 2 325.456 3.412 20 0 EGADLP C[NH+]1CCC([C@@H]2CCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)CC1 ZINC000450409218 310120756 /nfs/dbraw/zinc/12/07/56/310120756.db2.gz VPPKVNRDKSAVDM-OAHLLOKOSA-N 2 2 335.455 3.279 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1OCCc2sccc21 ZINC000451059685 310158345 /nfs/dbraw/zinc/15/83/45/310158345.db2.gz IHUIEJKUPUAZJK-DNVCBOLYSA-N 2 2 330.497 3.472 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1OCCc2sccc21 ZINC000451059685 310158346 /nfs/dbraw/zinc/15/83/46/310158346.db2.gz IHUIEJKUPUAZJK-DNVCBOLYSA-N 2 2 330.497 3.472 20 0 EGADLP CCO[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522188 310182671 /nfs/dbraw/zinc/18/26/71/310182671.db2.gz ASRVWRUATLVTCD-CEWLAPEOSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522188 310182672 /nfs/dbraw/zinc/18/26/72/310182672.db2.gz ASRVWRUATLVTCD-CEWLAPEOSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522188 310182673 /nfs/dbraw/zinc/18/26/73/310182673.db2.gz ASRVWRUATLVTCD-CEWLAPEOSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522188 310182674 /nfs/dbraw/zinc/18/26/74/310182674.db2.gz ASRVWRUATLVTCD-CEWLAPEOSA-N 2 2 346.515 3.024 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577862 310187616 /nfs/dbraw/zinc/18/76/16/310187616.db2.gz FPSRMACRRCAZFX-HBMCJLEFSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577862 310187617 /nfs/dbraw/zinc/18/76/17/310187617.db2.gz FPSRMACRRCAZFX-HBMCJLEFSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577862 310187618 /nfs/dbraw/zinc/18/76/18/310187618.db2.gz FPSRMACRRCAZFX-HBMCJLEFSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577862 310187619 /nfs/dbraw/zinc/18/76/19/310187619.db2.gz FPSRMACRRCAZFX-HBMCJLEFSA-N 2 2 328.500 3.400 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000452332259 310223684 /nfs/dbraw/zinc/22/36/84/310223684.db2.gz GOHFGJIZLNSPCR-SFHVURJKSA-N 2 2 326.444 3.241 20 0 EGADLP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000453060965 310255053 /nfs/dbraw/zinc/25/50/53/310255053.db2.gz KLESPLPRNPHHTK-GOSISDBHSA-N 2 2 338.499 3.442 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)Cc1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000453068010 310255666 /nfs/dbraw/zinc/25/56/66/310255666.db2.gz CDPZUQWNCMBVKP-DYESRHJHSA-N 2 2 338.499 3.080 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)Cc1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000453068010 310255667 /nfs/dbraw/zinc/25/56/67/310255667.db2.gz CDPZUQWNCMBVKP-DYESRHJHSA-N 2 2 338.499 3.080 20 0 EGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H](C)Cc2cnccn2)[NH+](C)C)cc1 ZINC000453212111 310264455 /nfs/dbraw/zinc/26/44/55/310264455.db2.gz BVJASQVPTZAPSQ-UWJYYQICSA-N 2 2 340.515 3.499 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453254380 310267043 /nfs/dbraw/zinc/26/70/43/310267043.db2.gz DORLCALAKFVTIG-YLJYHZDGSA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453254380 310267044 /nfs/dbraw/zinc/26/70/44/310267044.db2.gz DORLCALAKFVTIG-YLJYHZDGSA-N 2 2 346.515 3.460 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264803 310268040 /nfs/dbraw/zinc/26/80/40/310268040.db2.gz MYSZJIXDGITPCR-FUHWJXTLSA-N 2 2 334.504 3.361 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264803 310268041 /nfs/dbraw/zinc/26/80/41/310268041.db2.gz MYSZJIXDGITPCR-FUHWJXTLSA-N 2 2 334.504 3.361 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc(Br)s1 ZINC000453341980 310272109 /nfs/dbraw/zinc/27/21/09/310272109.db2.gz HVZIRHYKFUCFFR-OFLUOSHYSA-N 2 2 330.295 3.181 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc(Br)s1 ZINC000453341980 310272110 /nfs/dbraw/zinc/27/21/10/310272110.db2.gz HVZIRHYKFUCFFR-OFLUOSHYSA-N 2 2 330.295 3.181 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c[nH+]1 ZINC000454713756 310325310 /nfs/dbraw/zinc/32/53/10/310325310.db2.gz LOYFHHCGDNOKKN-GOSISDBHSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c[nH+]1 ZINC000454713756 310325311 /nfs/dbraw/zinc/32/53/11/310325311.db2.gz LOYFHHCGDNOKKN-GOSISDBHSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455665445 310371839 /nfs/dbraw/zinc/37/18/39/310371839.db2.gz SRHSPXITIKUILK-AWEZNQCLSA-N 2 2 343.456 3.129 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456381536 310402836 /nfs/dbraw/zinc/40/28/36/310402836.db2.gz MTOOHXMLLQALLJ-PVAVHDDUSA-N 2 2 326.444 3.088 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000486937302 311002943 /nfs/dbraw/zinc/00/29/43/311002943.db2.gz HDIRJAHNQGJNOO-MRXNPFEDSA-N 2 2 340.895 3.185 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000486937302 311002945 /nfs/dbraw/zinc/00/29/45/311002945.db2.gz HDIRJAHNQGJNOO-MRXNPFEDSA-N 2 2 340.895 3.185 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414673 311064559 /nfs/dbraw/zinc/06/45/59/311064559.db2.gz HKGOVGRXDHKZER-HOCLYGCPSA-N 2 2 328.566 3.386 20 0 EGADLP COc1cccc2c(N3CC[N@@H+]([C@@H]4C[C@@H]4C)C[C@@H](C)C3)cc[nH+]c12 ZINC000488723203 311076570 /nfs/dbraw/zinc/07/65/70/311076570.db2.gz WLUHDVGQLDQXMQ-RLFYNMQTSA-N 2 2 325.456 3.410 20 0 EGADLP COc1cccc2c(N3CC[N@H+]([C@@H]4C[C@@H]4C)C[C@@H](C)C3)cc[nH+]c12 ZINC000488723203 311076571 /nfs/dbraw/zinc/07/65/71/311076571.db2.gz WLUHDVGQLDQXMQ-RLFYNMQTSA-N 2 2 325.456 3.410 20 0 EGADLP C[C@H]1C[C@H](CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696996 311149614 /nfs/dbraw/zinc/14/96/14/311149614.db2.gz KLYGAIRGQMGVFU-VIYGXFRKSA-N 2 2 335.580 3.407 20 0 EGADLP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696996 311149616 /nfs/dbraw/zinc/14/96/16/311149616.db2.gz KLYGAIRGQMGVFU-VIYGXFRKSA-N 2 2 335.580 3.407 20 0 EGADLP Cn1c2ccccc2cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1=O ZINC000491403288 311177466 /nfs/dbraw/zinc/17/74/66/311177466.db2.gz XTOCQVJSXBAUCA-UHFFFAOYSA-N 2 2 344.418 3.014 20 0 EGADLP CC(C)c1nnc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000492195901 311225448 /nfs/dbraw/zinc/22/54/48/311225448.db2.gz XLAHCCNREROMLC-UHFFFAOYSA-N 2 2 327.457 3.180 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492276153 311232728 /nfs/dbraw/zinc/23/27/28/311232728.db2.gz KCHPRUUKVPNYLN-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492276153 311232730 /nfs/dbraw/zinc/23/27/30/311232730.db2.gz KCHPRUUKVPNYLN-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000493166387 311336681 /nfs/dbraw/zinc/33/66/81/311336681.db2.gz YLWJIASZDWAQJM-DOOKAGJSSA-N 2 2 346.862 3.276 20 0 EGADLP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000495840246 311619424 /nfs/dbraw/zinc/61/94/24/311619424.db2.gz JOTYLZILVNNIBM-FUHWJXTLSA-N 2 2 333.476 3.169 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000496822023 311770183 /nfs/dbraw/zinc/77/01/83/311770183.db2.gz RCOVTWRRAQUPRQ-IAGOWNOFSA-N 2 2 333.476 3.358 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](C/C=C\c4ccccc4)CC3)n2c1 ZINC000505858134 312037019 /nfs/dbraw/zinc/03/70/19/312037019.db2.gz BEPXAVSWSPYJQX-YVMONPNESA-N 2 2 346.478 3.474 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)c1cccc(OC)c1 ZINC000507463141 312073311 /nfs/dbraw/zinc/07/33/11/312073311.db2.gz RELRNKPADRLKJU-YVWKXTFCSA-N 2 2 334.504 3.483 20 0 EGADLP CCCC1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000513466340 312211128 /nfs/dbraw/zinc/21/11/28/312211128.db2.gz DJAPLTLBPOTDEW-FBPXKMNZSA-N 2 2 330.516 3.354 20 0 EGADLP CCCC1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000513466340 312211129 /nfs/dbraw/zinc/21/11/29/312211129.db2.gz DJAPLTLBPOTDEW-FBPXKMNZSA-N 2 2 330.516 3.354 20 0 EGADLP C[C@H]1CC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000515409069 312281501 /nfs/dbraw/zinc/28/15/01/312281501.db2.gz TXRNSQNSHMZGDE-LSDHHAIUSA-N 2 2 328.460 3.038 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CCC[C@@H]3C3CC3)c12 ZINC000516014808 312305843 /nfs/dbraw/zinc/30/58/43/312305843.db2.gz PTUNWHDTEWDZIR-GOEBONIOSA-N 2 2 334.427 3.449 20 0 EGADLP COc1ccc([C@H]([NH2+]CCCOCC(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000518959924 312434416 /nfs/dbraw/zinc/43/44/16/312434416.db2.gz QJQPUVYWLCQOLJ-CVEARBPZSA-N 2 2 346.393 3.047 20 0 EGADLP CC(C)COc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000520211374 312496407 /nfs/dbraw/zinc/49/64/07/312496407.db2.gz KFOMOQOXFIWQAO-ROUUACIJSA-N 2 2 334.504 3.310 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccsc1C(F)(F)F ZINC000529533628 313347178 /nfs/dbraw/zinc/34/71/78/313347178.db2.gz BHMMTNVGYQLNAP-MCIONIFRSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccsc1C(F)(F)F ZINC000529533628 313347181 /nfs/dbraw/zinc/34/71/81/313347181.db2.gz BHMMTNVGYQLNAP-MCIONIFRSA-N 2 2 348.434 3.450 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)nnn1-c1ccc(C)cc1 ZINC000531684800 313700942 /nfs/dbraw/zinc/70/09/42/313700942.db2.gz VNLWPXDPSFAZBE-MRXNPFEDSA-N 2 2 338.459 3.212 20 0 EGADLP COc1ccccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126363 313954547 /nfs/dbraw/zinc/95/45/47/313954547.db2.gz HOLDLTAFBSDRMF-UHFFFAOYSA-N 2 2 327.428 3.046 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534860808 314003227 /nfs/dbraw/zinc/00/32/27/314003227.db2.gz MAKPWFMFLOERHV-INIZCTEOSA-N 2 2 344.503 3.043 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000535312763 314039662 /nfs/dbraw/zinc/03/96/62/314039662.db2.gz FPBLYPBPXMVIQX-INIZCTEOSA-N 2 2 337.427 3.022 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000535312763 314039663 /nfs/dbraw/zinc/03/96/63/314039663.db2.gz FPBLYPBPXMVIQX-INIZCTEOSA-N 2 2 337.427 3.022 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CCN(Cc4ccsc4)CC3)cc2)c[nH+]1 ZINC000536020746 314088313 /nfs/dbraw/zinc/08/83/13/314088313.db2.gz NSLCFCOQAYBKQY-UHFFFAOYSA-N 2 2 338.480 3.252 20 0 EGADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536367412 314108474 /nfs/dbraw/zinc/10/84/74/314108474.db2.gz AVFBUTGCKNWNDA-YESZJQIVSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536367408 314108582 /nfs/dbraw/zinc/10/85/82/314108582.db2.gz AVFBUTGCKNWNDA-IXDOHACOSA-N 2 2 344.503 3.136 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000536593917 314127921 /nfs/dbraw/zinc/12/79/21/314127921.db2.gz ZXTAGSWIOQRKRE-GFCCVEGCSA-N 2 2 344.365 3.343 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000536593917 314127925 /nfs/dbraw/zinc/12/79/25/314127925.db2.gz ZXTAGSWIOQRKRE-GFCCVEGCSA-N 2 2 344.365 3.343 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870717 314151425 /nfs/dbraw/zinc/15/14/25/314151425.db2.gz PLASNRKRKVANBX-LRDDRELGSA-N 2 2 346.862 3.005 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870717 314151428 /nfs/dbraw/zinc/15/14/28/314151428.db2.gz PLASNRKRKVANBX-LRDDRELGSA-N 2 2 346.862 3.005 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092299 314296170 /nfs/dbraw/zinc/29/61/70/314296170.db2.gz TYLJHNYOAUHLQY-KXBFYZLASA-N 2 2 348.918 3.461 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092299 314296171 /nfs/dbraw/zinc/29/61/71/314296171.db2.gz TYLJHNYOAUHLQY-KXBFYZLASA-N 2 2 348.918 3.461 20 0 EGADLP CCc1cc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)on1 ZINC000539395216 314311600 /nfs/dbraw/zinc/31/16/00/314311600.db2.gz QXXHILUAFWHGJV-GOSISDBHSA-N 2 2 341.455 3.315 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)S1 ZINC000552090039 315196530 /nfs/dbraw/zinc/19/65/30/315196530.db2.gz HTDZHSUZZDEGOR-HDICACEKSA-N 2 2 333.545 3.025 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)S1 ZINC000552090039 315196531 /nfs/dbraw/zinc/19/65/31/315196531.db2.gz HTDZHSUZZDEGOR-HDICACEKSA-N 2 2 333.545 3.025 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214370 /nfs/dbraw/zinc/21/43/70/315214370.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214373 /nfs/dbraw/zinc/21/43/73/315214373.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214375 /nfs/dbraw/zinc/21/43/75/315214375.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552337378 315214377 /nfs/dbraw/zinc/21/43/77/315214377.db2.gz RVOSMEATUSJTGE-MYGLTJDJSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)Cc3cccs3)c2cc1C ZINC000552570322 315225364 /nfs/dbraw/zinc/22/53/64/315225364.db2.gz BIELQWAXQGDVPZ-HZPDHXFCSA-N 2 2 343.496 3.296 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347630 315311626 /nfs/dbraw/zinc/31/16/26/315311626.db2.gz XBZTWVLPZAFUML-BBRMVZONSA-N 2 2 328.859 3.488 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347630 315311628 /nfs/dbraw/zinc/31/16/28/315311628.db2.gz XBZTWVLPZAFUML-BBRMVZONSA-N 2 2 328.859 3.488 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000562770870 315897525 /nfs/dbraw/zinc/89/75/25/315897525.db2.gz YHAKAUUUTZLMNU-INIZCTEOSA-N 2 2 341.459 3.000 20 0 EGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000563670477 316053374 /nfs/dbraw/zinc/05/33/74/316053374.db2.gz RQRREPLVZFQMMV-AEFFLSMTSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000563670477 316053379 /nfs/dbraw/zinc/05/33/79/316053379.db2.gz RQRREPLVZFQMMV-AEFFLSMTSA-N 2 2 341.455 3.314 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000563786151 316068040 /nfs/dbraw/zinc/06/80/40/316068040.db2.gz GKVXQRQDUVAESG-QAPCUYQASA-N 2 2 349.438 3.119 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000564221422 316126311 /nfs/dbraw/zinc/12/63/11/316126311.db2.gz CIBOPOSJUVVHER-MRXNPFEDSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000564221422 316126317 /nfs/dbraw/zinc/12/63/17/316126317.db2.gz CIBOPOSJUVVHER-MRXNPFEDSA-N 2 2 340.471 3.459 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330348 316138044 /nfs/dbraw/zinc/13/80/44/316138044.db2.gz HFJQJNMZGLSHRX-LPHOPBHVSA-N 2 2 348.450 3.497 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330348 316138046 /nfs/dbraw/zinc/13/80/46/316138046.db2.gz HFJQJNMZGLSHRX-LPHOPBHVSA-N 2 2 348.450 3.497 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459657 316155758 /nfs/dbraw/zinc/15/57/58/316155758.db2.gz LVBSBGUUTNKGSX-GGPKGHCWSA-N 2 2 345.531 3.285 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459657 316155761 /nfs/dbraw/zinc/15/57/61/316155761.db2.gz LVBSBGUUTNKGSX-GGPKGHCWSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459657 316155765 /nfs/dbraw/zinc/15/57/65/316155765.db2.gz LVBSBGUUTNKGSX-GGPKGHCWSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459657 316155768 /nfs/dbraw/zinc/15/57/68/316155768.db2.gz LVBSBGUUTNKGSX-GGPKGHCWSA-N 2 2 345.531 3.285 20 0 EGADLP C[C@@H](Nc1[nH+]c2cccc(F)c2n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000564584635 316171001 /nfs/dbraw/zinc/17/10/01/316171001.db2.gz WVUVABOTLQTFOT-DYVFJYSZSA-N 2 2 326.419 3.238 20 0 EGADLP c1cncc([C@H]2CCC[C@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1 ZINC000564722381 316194734 /nfs/dbraw/zinc/19/47/34/316194734.db2.gz BTISSXUHLGAVKT-WMZOPIPTSA-N 2 2 337.471 3.025 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)c1 ZINC000565140750 316274156 /nfs/dbraw/zinc/27/41/56/316274156.db2.gz PJDKSXBAODCAEF-IHWYPQMZSA-N 2 2 345.393 3.204 20 0 EGADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565229893 316295368 /nfs/dbraw/zinc/29/53/68/316295368.db2.gz OPPHWNLKXXZDKC-MRXNPFEDSA-N 2 2 335.517 3.097 20 0 EGADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000565229893 316295370 /nfs/dbraw/zinc/29/53/70/316295370.db2.gz OPPHWNLKXXZDKC-MRXNPFEDSA-N 2 2 335.517 3.097 20 0 EGADLP CC(C)OC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000565643938 316350860 /nfs/dbraw/zinc/35/08/60/316350860.db2.gz FMJRMVVXBHSBIP-OAQYLSRUSA-N 2 2 346.515 3.298 20 0 EGADLP CC(C)OC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000565643938 316350864 /nfs/dbraw/zinc/35/08/64/316350864.db2.gz FMJRMVVXBHSBIP-OAQYLSRUSA-N 2 2 346.515 3.298 20 0 EGADLP [NH3+]C1(c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)CCCCC1 ZINC000566096594 316415556 /nfs/dbraw/zinc/41/55/56/316415556.db2.gz DZPULFIZHPWJCM-UHFFFAOYSA-N 2 2 337.427 3.023 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000570154818 317014718 /nfs/dbraw/zinc/01/47/18/317014718.db2.gz FTLRAZHUHHNBOX-LAUBAEHRSA-N 2 2 335.451 3.186 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000570520379 317068513 /nfs/dbraw/zinc/06/85/13/317068513.db2.gz WCXODOWGPPTYDQ-LJQANCHMSA-N 2 2 332.463 3.030 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733446 317099631 /nfs/dbraw/zinc/09/96/31/317099631.db2.gz MPTASFKYCNHHKY-MAUKXSAKSA-N 2 2 349.438 3.291 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733446 317099635 /nfs/dbraw/zinc/09/96/35/317099635.db2.gz MPTASFKYCNHHKY-MAUKXSAKSA-N 2 2 349.438 3.291 20 0 EGADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000178601304 323358502 /nfs/dbraw/zinc/35/85/02/323358502.db2.gz ZICFZHDCSTXWEM-WOJBJXKFSA-N 2 2 345.531 3.475 20 0 EGADLP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182517063 323557547 /nfs/dbraw/zinc/55/75/47/323557547.db2.gz RKSSYGAAMFXKAW-KDOFPFPSSA-N 2 2 326.431 3.364 20 0 EGADLP Cc1cccc2[nH+]c(CCc3nc(-c4ccn5c[nH+]cc5c4)no3)[nH]c21 ZINC000351041488 324157278 /nfs/dbraw/zinc/15/72/78/324157278.db2.gz ANHUJSNUBKVWKL-UHFFFAOYSA-N 2 2 344.378 3.354 20 0 EGADLP Cc1cccc2[nH]c(CCc3nc(-c4ccn5c[nH+]cc5c4)no3)[nH+]c21 ZINC000351041488 324157280 /nfs/dbraw/zinc/15/72/80/324157280.db2.gz ANHUJSNUBKVWKL-UHFFFAOYSA-N 2 2 344.378 3.354 20 0 EGADLP C[C@@H]1C[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000379672588 324240362 /nfs/dbraw/zinc/24/03/62/324240362.db2.gz NREYSAKZNBCXSD-SJLPKXTDSA-N 2 2 334.467 3.460 20 0 EGADLP C[C@@H]1C[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000379672588 324240368 /nfs/dbraw/zinc/24/03/68/324240368.db2.gz NREYSAKZNBCXSD-SJLPKXTDSA-N 2 2 334.467 3.460 20 0 EGADLP Cc1ncncc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000576172406 324560938 /nfs/dbraw/zinc/56/09/38/324560938.db2.gz LOZSDMHDHVIXOO-JKSUJKDBSA-N 2 2 325.460 3.056 20 0 EGADLP C[NH+](C)C1CCC(NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000578062272 324911291 /nfs/dbraw/zinc/91/12/91/324911291.db2.gz LNBSDROUBJCESJ-UHFFFAOYSA-N 2 2 339.439 3.477 20 0 EGADLP CN(C(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000579565057 325128008 /nfs/dbraw/zinc/12/80/08/325128008.db2.gz ONBMNYWFSGYBPA-UHFFFAOYSA-N 2 2 338.455 3.011 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000580063904 325197727 /nfs/dbraw/zinc/19/77/27/325197727.db2.gz ANYCWBWKSYOBDY-HNAYVOBHSA-N 2 2 348.874 3.314 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCc4ccccc43)c2cc1C ZINC000581721850 325385626 /nfs/dbraw/zinc/38/56/26/325385626.db2.gz SEEUEYSKXAWEPP-RTBURBONSA-N 2 2 349.478 3.334 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000357309857 457437457 /nfs/dbraw/zinc/43/74/57/457437457.db2.gz XUHVGGZIKZIKOK-NSHDSACASA-N 2 2 331.217 3.116 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C2CCCCC2)n1 ZINC000183092221 455227486 /nfs/dbraw/zinc/22/74/86/455227486.db2.gz RWPWJTYNCCRJLA-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C2CCCCC2)n1 ZINC000183092221 455227494 /nfs/dbraw/zinc/22/74/94/455227494.db2.gz RWPWJTYNCCRJLA-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000376734712 458378286 /nfs/dbraw/zinc/37/82/86/458378286.db2.gz CLYWBGWZXMDQPS-KBPBESRZSA-N 2 2 339.277 3.174 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594819 458469807 /nfs/dbraw/zinc/46/98/07/458469807.db2.gz WEWVPTPMEFUDLX-FZMZJTMJSA-N 2 2 329.847 3.111 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594819 458469809 /nfs/dbraw/zinc/46/98/09/458469809.db2.gz WEWVPTPMEFUDLX-FZMZJTMJSA-N 2 2 329.847 3.111 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138835 455236956 /nfs/dbraw/zinc/23/69/56/455236956.db2.gz KFEUDAZZXCCTDB-YZGWKJHDSA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138835 455236959 /nfs/dbraw/zinc/23/69/59/455236959.db2.gz KFEUDAZZXCCTDB-YZGWKJHDSA-N 2 2 325.456 3.373 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527023 459046960 /nfs/dbraw/zinc/04/69/60/459046960.db2.gz OJGWQVYLKFFVLK-KOLCDFICSA-N 2 2 349.219 3.362 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000183184982 455246716 /nfs/dbraw/zinc/24/67/16/455246716.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000183184982 455246719 /nfs/dbraw/zinc/24/67/19/455246719.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184982 455246722 /nfs/dbraw/zinc/24/67/22/455246722.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184982 455246724 /nfs/dbraw/zinc/24/67/24/455246724.db2.gz MBNDSAQRRRFOBJ-ICSRJNTNSA-N 3 2 326.488 3.258 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180821839 455250840 /nfs/dbraw/zinc/25/08/40/455250840.db2.gz HYYAGJVMXVUTHN-UHFFFAOYSA-N 2 2 330.428 3.272 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180812940 455249985 /nfs/dbraw/zinc/24/99/85/455249985.db2.gz PHNDBZSTFIDAIV-IBGZPJMESA-N 2 2 330.451 3.111 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000183251299 455261187 /nfs/dbraw/zinc/26/11/87/455261187.db2.gz VRWHOHNTIWGATG-IBGZPJMESA-N 2 2 342.462 3.265 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093649 455268353 /nfs/dbraw/zinc/26/83/53/455268353.db2.gz UBCBTKPSCWUSQM-ZFWWWQNUSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093649 455268359 /nfs/dbraw/zinc/26/83/59/455268359.db2.gz UBCBTKPSCWUSQM-ZFWWWQNUSA-N 2 2 347.894 3.222 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112105 455289428 /nfs/dbraw/zinc/28/94/28/455289428.db2.gz DELZQMLDNXQAPK-IRXDYDNUSA-N 2 2 342.487 3.033 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112105 455289436 /nfs/dbraw/zinc/28/94/36/455289436.db2.gz DELZQMLDNXQAPK-IRXDYDNUSA-N 2 2 342.487 3.033 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245450782 455304076 /nfs/dbraw/zinc/30/40/76/455304076.db2.gz OXSZAKJGMAUHBY-QFBILLFUSA-N 2 2 347.503 3.076 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245450782 455304078 /nfs/dbraw/zinc/30/40/78/455304078.db2.gz OXSZAKJGMAUHBY-QFBILLFUSA-N 2 2 347.503 3.076 20 0 EGADLP O=C(CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)Nc1ccccc1-c1ccccc1 ZINC000631869292 460584369 /nfs/dbraw/zinc/58/43/69/460584369.db2.gz VLNQNSKNIAXFJR-GCJKJVERSA-N 2 2 349.478 3.414 20 0 EGADLP Clc1ccc(OCc2nc(C[NH2+]CCn3cc[nH+]c3)cs2)cc1 ZINC000066608636 453855233 /nfs/dbraw/zinc/85/52/33/453855233.db2.gz ITZNZWWMSVLALW-UHFFFAOYSA-N 2 2 348.859 3.362 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000067505446 453936442 /nfs/dbraw/zinc/93/64/42/453936442.db2.gz ABAOIWMOTLRJBT-OAHLLOKOSA-N 2 2 332.488 3.373 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000076004840 453948894 /nfs/dbraw/zinc/94/88/94/453948894.db2.gz YGGDSXJNRALSRN-WIYYLYMNSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000076004840 453948896 /nfs/dbraw/zinc/94/88/96/453948896.db2.gz YGGDSXJNRALSRN-WIYYLYMNSA-N 2 2 345.531 3.164 20 0 EGADLP Cc1ccn2cc(CNC(=O)Nc3cccc(C[NH+](C)C)c3)[nH+]c2c1 ZINC000056600951 454069790 /nfs/dbraw/zinc/06/97/90/454069790.db2.gz DHMFMFYOCPMOKD-UHFFFAOYSA-N 2 2 337.427 3.026 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000077248798 454081617 /nfs/dbraw/zinc/08/16/17/454081617.db2.gz NAUCSQQPJPGYFC-UHFFFAOYSA-N 2 2 343.393 3.060 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000077248798 454081619 /nfs/dbraw/zinc/08/16/19/454081619.db2.gz NAUCSQQPJPGYFC-UHFFFAOYSA-N 2 2 343.393 3.060 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@@H+]1C1CC1 ZINC000119471968 454197833 /nfs/dbraw/zinc/19/78/33/454197833.db2.gz PWPNVNOIYLKTMQ-IUODEOHRSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@H+]1C1CC1 ZINC000119471968 454197839 /nfs/dbraw/zinc/19/78/39/454197839.db2.gz PWPNVNOIYLKTMQ-IUODEOHRSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@@H+]1C1CC1 ZINC000119762703 454218601 /nfs/dbraw/zinc/21/86/01/454218601.db2.gz QKOIRAMJNDUOJP-SWLSCSKDSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@H+]1C1CC1 ZINC000119762703 454218606 /nfs/dbraw/zinc/21/86/06/454218606.db2.gz QKOIRAMJNDUOJP-SWLSCSKDSA-N 2 2 346.862 3.147 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047434 454266325 /nfs/dbraw/zinc/26/63/25/454266325.db2.gz ICHCUXHOBVTXBF-IEBWSBKVSA-N 2 2 332.488 3.218 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000090047503 454266496 /nfs/dbraw/zinc/26/64/96/454266496.db2.gz YOQQWNSTQMKNOX-WMLDXEAASA-N 2 2 342.430 3.440 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000090047029 454266676 /nfs/dbraw/zinc/26/66/76/454266676.db2.gz SJWMRXKNFLXAHM-KGLIPLIRSA-N 2 2 328.403 3.049 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000131897154 454296863 /nfs/dbraw/zinc/29/68/63/454296863.db2.gz UVLGMERDCNNDGG-APWZRJJASA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000131897154 454296866 /nfs/dbraw/zinc/29/68/66/454296866.db2.gz UVLGMERDCNNDGG-APWZRJJASA-N 2 2 339.439 3.179 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1COc2ccccc21 ZINC000090845596 454345236 /nfs/dbraw/zinc/34/52/36/454345236.db2.gz IPTOYJLWSJNJDZ-JXFKEZNVSA-N 2 2 337.467 3.200 20 0 EGADLP Cc1c(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)cnn1C ZINC000090888238 454348764 /nfs/dbraw/zinc/34/87/64/454348764.db2.gz DYPHPOVFOGERGE-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860768 454352554 /nfs/dbraw/zinc/35/25/54/454352554.db2.gz OQOIGDKJBAEFKB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860768 454352560 /nfs/dbraw/zinc/35/25/60/454352560.db2.gz OQOIGDKJBAEFKB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860768 454352567 /nfs/dbraw/zinc/35/25/67/454352567.db2.gz OQOIGDKJBAEFKB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860768 454352570 /nfs/dbraw/zinc/35/25/70/454352570.db2.gz OQOIGDKJBAEFKB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)Cn1cc[nH+]c1 ZINC000062254256 454371051 /nfs/dbraw/zinc/37/10/51/454371051.db2.gz JMVUUOKVUDNASO-HNNXBMFYSA-N 2 2 349.438 3.456 20 0 EGADLP Cc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)[NH+](C)C)cc1 ZINC000062423259 454376896 /nfs/dbraw/zinc/37/68/96/454376896.db2.gz OHKYPLNUOCFZAL-FQEVSTJZSA-N 2 2 349.482 3.183 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097016597 454387239 /nfs/dbraw/zinc/38/72/39/454387239.db2.gz HXLRWFZQCRJDBI-IFXJQAMLSA-N 2 2 325.387 3.396 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097016598 454387670 /nfs/dbraw/zinc/38/76/70/454387670.db2.gz HXLRWFZQCRJDBI-AUUYWEPGSA-N 2 2 325.387 3.396 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000079438480 454414620 /nfs/dbraw/zinc/41/46/20/454414620.db2.gz SEDBVCBDWYXLAL-INIZCTEOSA-N 2 2 337.427 3.072 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000079438480 454414625 /nfs/dbraw/zinc/41/46/25/454414625.db2.gz SEDBVCBDWYXLAL-INIZCTEOSA-N 2 2 337.427 3.072 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000097376992 454434344 /nfs/dbraw/zinc/43/43/44/454434344.db2.gz CQLIGTFMRAFEFZ-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC000097376992 454434349 /nfs/dbraw/zinc/43/43/49/454434349.db2.gz CQLIGTFMRAFEFZ-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000121431688 454434470 /nfs/dbraw/zinc/43/44/70/454434470.db2.gz GJHBQYDDBZZIPL-SFHVURJKSA-N 2 2 338.455 3.076 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000121431688 454434476 /nfs/dbraw/zinc/43/44/76/454434476.db2.gz GJHBQYDDBZZIPL-SFHVURJKSA-N 2 2 338.455 3.076 20 0 EGADLP Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000121476999 454440702 /nfs/dbraw/zinc/44/07/02/454440702.db2.gz HFATYHDNJHYLKQ-UHFFFAOYSA-N 2 2 343.446 3.231 20 0 EGADLP Cc1cccn2cc(CNC(=O)Nc3cccc(C[NH+](C)C)c3)[nH+]c12 ZINC000091627559 454450978 /nfs/dbraw/zinc/45/09/78/454450978.db2.gz BERZXQJJQCZDOV-UHFFFAOYSA-N 2 2 337.427 3.026 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000134022593 454493884 /nfs/dbraw/zinc/49/38/84/454493884.db2.gz RNFYECFEHMXGQC-SFHVURJKSA-N 2 2 339.474 3.389 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000092043318 454508624 /nfs/dbraw/zinc/50/86/24/454508624.db2.gz ARPVKEITAYAQRQ-HIFRSBDPSA-N 2 2 340.414 3.213 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000092043318 454508627 /nfs/dbraw/zinc/50/86/27/454508627.db2.gz ARPVKEITAYAQRQ-HIFRSBDPSA-N 2 2 340.414 3.213 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1OC(F)F ZINC000092043318 454508631 /nfs/dbraw/zinc/50/86/31/454508631.db2.gz ARPVKEITAYAQRQ-HIFRSBDPSA-N 2 2 340.414 3.213 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1OC(F)F ZINC000092043318 454508634 /nfs/dbraw/zinc/50/86/34/454508634.db2.gz ARPVKEITAYAQRQ-HIFRSBDPSA-N 2 2 340.414 3.213 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043252 454508852 /nfs/dbraw/zinc/50/88/52/454508852.db2.gz NISPYSYNDAISMM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043252 454508856 /nfs/dbraw/zinc/50/88/56/454508856.db2.gz NISPYSYNDAISMM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043252 454508859 /nfs/dbraw/zinc/50/88/59/454508859.db2.gz NISPYSYNDAISMM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043252 454508864 /nfs/dbraw/zinc/50/88/64/454508864.db2.gz NISPYSYNDAISMM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000122990756 454589667 /nfs/dbraw/zinc/58/96/67/454589667.db2.gz KQXLILDTCDNZQI-UHFFFAOYSA-N 2 2 340.515 3.413 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000104720177 454598745 /nfs/dbraw/zinc/59/87/45/454598745.db2.gz VZBVMCXSUYERIN-UHFFFAOYSA-N 2 2 349.381 3.014 20 0 EGADLP CCc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000092645245 454599144 /nfs/dbraw/zinc/59/91/44/454599144.db2.gz VTCHEBAFXXKJQU-UHFFFAOYSA-N 2 2 327.472 3.376 20 0 EGADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000092645245 454599149 /nfs/dbraw/zinc/59/91/49/454599149.db2.gz VTCHEBAFXXKJQU-UHFFFAOYSA-N 2 2 327.472 3.376 20 0 EGADLP C[N@H+](Cc1ccc(Cl)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645126 454599331 /nfs/dbraw/zinc/59/93/31/454599331.db2.gz VWBJDQGXOQUCHA-UHFFFAOYSA-N 2 2 333.863 3.467 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645126 454599335 /nfs/dbraw/zinc/59/93/35/454599335.db2.gz VWBJDQGXOQUCHA-UHFFFAOYSA-N 2 2 333.863 3.467 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000134867673 454601289 /nfs/dbraw/zinc/60/12/89/454601289.db2.gz YJZRBTGAVATDFE-XLIONFOSSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000134867673 454601292 /nfs/dbraw/zinc/60/12/92/454601292.db2.gz YJZRBTGAVATDFE-XLIONFOSSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000134867673 454601293 /nfs/dbraw/zinc/60/12/93/454601293.db2.gz YJZRBTGAVATDFE-XLIONFOSSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000134867673 454601295 /nfs/dbraw/zinc/60/12/95/454601295.db2.gz YJZRBTGAVATDFE-XLIONFOSSA-N 2 2 347.547 3.115 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C(C3CC3)C3CC3)c2cc1C ZINC000050965679 454603349 /nfs/dbraw/zinc/60/33/49/454603349.db2.gz DWBPPLLYXLUCAR-KRWDZBQOSA-N 2 2 327.472 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C(C3CC3)C3CC3)c2cc1C ZINC000050965679 454603354 /nfs/dbraw/zinc/60/33/54/454603354.db2.gz DWBPPLLYXLUCAR-KRWDZBQOSA-N 2 2 327.472 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3cccc(F)c3)c2cc1C ZINC000051114677 454608880 /nfs/dbraw/zinc/60/88/80/454608880.db2.gz MOBNNQJHBNJHSC-SFHVURJKSA-N 2 2 341.430 3.285 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3cccc(F)c3)c2cc1C ZINC000051114677 454608885 /nfs/dbraw/zinc/60/88/85/454608885.db2.gz MOBNNQJHBNJHSC-SFHVURJKSA-N 2 2 341.430 3.285 20 0 EGADLP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931210 454611300 /nfs/dbraw/zinc/61/13/00/454611300.db2.gz IKJWDMWFYVWEDP-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931210 454611305 /nfs/dbraw/zinc/61/13/05/454611305.db2.gz IKJWDMWFYVWEDP-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931210 454611310 /nfs/dbraw/zinc/61/13/10/454611310.db2.gz IKJWDMWFYVWEDP-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000080645564 454611596 /nfs/dbraw/zinc/61/15/96/454611596.db2.gz HXYJBQPGPKFTNS-OAHLLOKOSA-N 2 2 338.496 3.077 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000123361708 454629601 /nfs/dbraw/zinc/62/96/01/454629601.db2.gz LYPFWOHWRHGJJX-ZNMIVQPWSA-N 2 2 339.483 3.249 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)CC3 ZINC000123361708 454629605 /nfs/dbraw/zinc/62/96/05/454629605.db2.gz LYPFWOHWRHGJJX-ZNMIVQPWSA-N 2 2 339.483 3.249 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)cc1Cl ZINC000135147618 454638679 /nfs/dbraw/zinc/63/86/79/454638679.db2.gz QGIHBMHPDYEPLO-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Cl ZINC000080960950 454659089 /nfs/dbraw/zinc/65/90/89/454659089.db2.gz JEJKGDWGNZOKMK-ZDUSSCGKSA-N 2 2 332.835 3.271 20 0 EGADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Cl ZINC000080960950 454659094 /nfs/dbraw/zinc/65/90/94/454659094.db2.gz JEJKGDWGNZOKMK-ZDUSSCGKSA-N 2 2 332.835 3.271 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080973218 454663576 /nfs/dbraw/zinc/66/35/76/454663576.db2.gz XOPAPDXODJCHLE-FUHWJXTLSA-N 2 2 338.455 3.093 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080973218 454663579 /nfs/dbraw/zinc/66/35/79/454663579.db2.gz XOPAPDXODJCHLE-FUHWJXTLSA-N 2 2 338.455 3.093 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000635001303 460647096 /nfs/dbraw/zinc/64/70/96/460647096.db2.gz NKSRQMXPSPFJFM-UHFFFAOYSA-N 2 2 342.508 3.384 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2CC(F)F)C1 ZINC000623626599 460647812 /nfs/dbraw/zinc/64/78/12/460647812.db2.gz ZRQJYDODKPKDTM-KBAYOESNSA-N 2 2 337.458 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN2CC(F)F)C1 ZINC000623626599 460647817 /nfs/dbraw/zinc/64/78/17/460647817.db2.gz ZRQJYDODKPKDTM-KBAYOESNSA-N 2 2 337.458 3.141 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3nccs3)CC2)c1 ZINC000093371771 454709921 /nfs/dbraw/zinc/70/99/21/454709921.db2.gz YZBQVWSKLXFBOQ-QGZVFWFLSA-N 2 2 344.528 3.314 20 0 EGADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2nccs2)CC1 ZINC000093398789 454711175 /nfs/dbraw/zinc/71/11/75/454711175.db2.gz IYBXRXBBQGYFCE-MRXNPFEDSA-N 2 2 344.528 3.131 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664865 454727108 /nfs/dbraw/zinc/72/71/08/454727108.db2.gz KLGPRMNMSRAMRW-LJQANCHMSA-N 2 2 332.488 3.020 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664865 454727110 /nfs/dbraw/zinc/72/71/10/454727110.db2.gz KLGPRMNMSRAMRW-LJQANCHMSA-N 2 2 332.488 3.020 20 0 EGADLP COc1ccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000093664047 454727456 /nfs/dbraw/zinc/72/74/56/454727456.db2.gz SYJPNXMCMSYCIK-GOSISDBHSA-N 2 2 340.467 3.003 20 0 EGADLP COc1ccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000093664047 454727460 /nfs/dbraw/zinc/72/74/60/454727460.db2.gz SYJPNXMCMSYCIK-GOSISDBHSA-N 2 2 340.467 3.003 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1N(C)C ZINC000152804519 454727931 /nfs/dbraw/zinc/72/79/31/454727931.db2.gz YSVRCOZQWCIHSO-AWEZNQCLSA-N 2 2 330.451 3.318 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152810998 454729023 /nfs/dbraw/zinc/72/90/23/454729023.db2.gz VWIPIQWJMQPAJC-IBGZPJMESA-N 2 2 325.456 3.438 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922511 454731547 /nfs/dbraw/zinc/73/15/47/454731547.db2.gz KDVCYJHABYDAIQ-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922511 454731550 /nfs/dbraw/zinc/73/15/50/454731550.db2.gz KDVCYJHABYDAIQ-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922511 454731553 /nfs/dbraw/zinc/73/15/53/454731553.db2.gz KDVCYJHABYDAIQ-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922511 454731556 /nfs/dbraw/zinc/73/15/56/454731556.db2.gz KDVCYJHABYDAIQ-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769954 454734577 /nfs/dbraw/zinc/73/45/77/454734577.db2.gz NFFUEIDLNKLLPU-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769954 454734580 /nfs/dbraw/zinc/73/45/80/454734580.db2.gz NFFUEIDLNKLLPU-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769954 454734583 /nfs/dbraw/zinc/73/45/83/454734583.db2.gz NFFUEIDLNKLLPU-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769954 454734586 /nfs/dbraw/zinc/73/45/86/454734586.db2.gz NFFUEIDLNKLLPU-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866152 454741684 /nfs/dbraw/zinc/74/16/84/454741684.db2.gz PNXJJKOARSFKEI-OAHLLOKOSA-N 2 2 349.228 3.203 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866152 454741687 /nfs/dbraw/zinc/74/16/87/454741687.db2.gz PNXJJKOARSFKEI-OAHLLOKOSA-N 2 2 349.228 3.203 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153703622 454822976 /nfs/dbraw/zinc/82/29/76/454822976.db2.gz QSOBNYMEHQYODC-RDTXWAMCSA-N 3 2 330.451 3.140 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153703622 454822981 /nfs/dbraw/zinc/82/29/81/454822981.db2.gz QSOBNYMEHQYODC-RDTXWAMCSA-N 3 2 330.451 3.140 20 0 EGADLP Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2cccc(F)c2[nH+]1 ZINC000125592976 454834085 /nfs/dbraw/zinc/83/40/85/454834085.db2.gz MYBXDYLABPDFRJ-INIZCTEOSA-N 2 2 343.446 3.231 20 0 EGADLP CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000163284254 454836560 /nfs/dbraw/zinc/83/65/60/454836560.db2.gz MQFSWCPYUWMQLN-BFHYXJOUSA-N 2 2 335.477 3.163 20 0 EGADLP CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000163284254 454836563 /nfs/dbraw/zinc/83/65/63/454836563.db2.gz MQFSWCPYUWMQLN-BFHYXJOUSA-N 2 2 335.477 3.163 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163797545 454864921 /nfs/dbraw/zinc/86/49/21/454864921.db2.gz AOECVUVEPIHPKO-CQSZACIVSA-N 2 2 338.455 3.464 20 0 EGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000182240666 455470052 /nfs/dbraw/zinc/47/00/52/455470052.db2.gz BVDOTMXAUMHNCG-UHFFFAOYSA-N 2 2 325.431 3.464 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000154256168 454878514 /nfs/dbraw/zinc/87/85/14/454878514.db2.gz VFCZSBFMDPUSNZ-OCCSQVGLSA-N 2 2 338.398 3.014 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000164489158 454883610 /nfs/dbraw/zinc/88/36/10/454883610.db2.gz NINNRCMUCQLEBB-YLJYHZDGSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000164489158 454883613 /nfs/dbraw/zinc/88/36/13/454883613.db2.gz NINNRCMUCQLEBB-YLJYHZDGSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489158 454883614 /nfs/dbraw/zinc/88/36/14/454883614.db2.gz NINNRCMUCQLEBB-YLJYHZDGSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489158 454883616 /nfs/dbraw/zinc/88/36/16/454883616.db2.gz NINNRCMUCQLEBB-YLJYHZDGSA-N 3 2 341.499 3.484 20 0 EGADLP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000165827651 454905027 /nfs/dbraw/zinc/90/50/27/454905027.db2.gz PQCNYQCNDBZQAX-HOTGVXAUSA-N 2 2 338.455 3.342 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256382 454909970 /nfs/dbraw/zinc/90/99/70/454909970.db2.gz KHTBTFLRXFCCKK-VNHYZAJKSA-N 2 2 327.472 3.192 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256382 454909973 /nfs/dbraw/zinc/90/99/73/454909973.db2.gz KHTBTFLRXFCCKK-VNHYZAJKSA-N 2 2 327.472 3.192 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837783 454912269 /nfs/dbraw/zinc/91/22/69/454912269.db2.gz WJEYOCNDQCVBFN-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837783 454912271 /nfs/dbraw/zinc/91/22/71/454912271.db2.gz WJEYOCNDQCVBFN-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837783 454912274 /nfs/dbraw/zinc/91/22/74/454912274.db2.gz WJEYOCNDQCVBFN-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837783 454912278 /nfs/dbraw/zinc/91/22/78/454912278.db2.gz WJEYOCNDQCVBFN-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CCCCNC(=O)C1([NH2+]Cc2c[nH+]c3ccc(C)cn23)CCCCC1 ZINC000154630154 454914434 /nfs/dbraw/zinc/91/44/34/454914434.db2.gz FFUYVGGNTSHKDF-UHFFFAOYSA-N 2 2 342.487 3.352 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC000113340184 454924313 /nfs/dbraw/zinc/92/43/13/454924313.db2.gz QTSABVVDGLTXNE-MRXNPFEDSA-N 2 2 345.512 3.462 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)cs2)cc1 ZINC000113340184 454924315 /nfs/dbraw/zinc/92/43/15/454924315.db2.gz QTSABVVDGLTXNE-MRXNPFEDSA-N 2 2 345.512 3.462 20 0 EGADLP CCOCc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OC ZINC000179703986 455068577 /nfs/dbraw/zinc/06/85/77/455068577.db2.gz KAEVWUQUGVDWRK-UHFFFAOYSA-N 2 2 329.444 3.265 20 0 EGADLP C[N@H+](Cc1cccc2nccn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180064416 455126118 /nfs/dbraw/zinc/12/61/18/455126118.db2.gz OBUWAGPYYDIBAY-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP C[N@@H+](Cc1cccc2nccn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180064416 455126122 /nfs/dbraw/zinc/12/61/22/455126122.db2.gz OBUWAGPYYDIBAY-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[N@H+](Cc4ccccc4)CC3)n2c1 ZINC000156600616 455136879 /nfs/dbraw/zinc/13/68/79/455136879.db2.gz WAXBIWNECHIXGV-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[N@@H+](Cc4ccccc4)CC3)n2c1 ZINC000156600616 455136882 /nfs/dbraw/zinc/13/68/82/455136882.db2.gz WAXBIWNECHIXGV-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000156660194 455142389 /nfs/dbraw/zinc/14/23/89/455142389.db2.gz AXPXDCSKFOFVCN-HOJAQTOUSA-N 2 2 332.488 3.237 20 0 EGADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000156784657 455150471 /nfs/dbraw/zinc/15/04/71/455150471.db2.gz GJUNSZMGMAOSSB-GJYPPUQNSA-N 2 2 329.488 3.193 20 0 EGADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000156784657 455150473 /nfs/dbraw/zinc/15/04/73/455150473.db2.gz GJUNSZMGMAOSSB-GJYPPUQNSA-N 2 2 329.488 3.193 20 0 EGADLP Fc1ccccc1OC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000180310892 455157058 /nfs/dbraw/zinc/15/70/58/455157058.db2.gz APARJNONPNSRQF-GOSISDBHSA-N 2 2 325.387 3.432 20 0 EGADLP C[C@@]1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCCC[NH2+]1 ZINC000237383277 455179593 /nfs/dbraw/zinc/17/95/93/455179593.db2.gz CZLDEMPSWUNPQW-FQEVSTJZSA-N 2 2 338.455 3.357 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C[NH3+])cc3)n2)C1 ZINC000237480848 455187918 /nfs/dbraw/zinc/18/79/18/455187918.db2.gz HKDUMBATPAXOKQ-CYBMUJFWSA-N 2 2 344.484 3.086 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C[NH3+])cc3)n2)C1 ZINC000237480848 455187923 /nfs/dbraw/zinc/18/79/23/455187923.db2.gz HKDUMBATPAXOKQ-CYBMUJFWSA-N 2 2 344.484 3.086 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC000237679081 455206330 /nfs/dbraw/zinc/20/63/30/455206330.db2.gz MDFGEVUYEWCLED-UHFFFAOYSA-N 2 2 348.410 3.157 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000245467489 455308792 /nfs/dbraw/zinc/30/87/92/455308792.db2.gz ZMZAMOOXTPLLMF-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000245467489 455308793 /nfs/dbraw/zinc/30/87/93/455308793.db2.gz ZMZAMOOXTPLLMF-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000245467489 455308795 /nfs/dbraw/zinc/30/87/95/455308795.db2.gz ZMZAMOOXTPLLMF-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000245467489 455308797 /nfs/dbraw/zinc/30/87/97/455308797.db2.gz ZMZAMOOXTPLLMF-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP Cc1ccnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000265528994 455338110 /nfs/dbraw/zinc/33/81/10/455338110.db2.gz AQCCZNGQYARNKW-UHFFFAOYSA-N 2 2 325.460 3.307 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158996393 455344052 /nfs/dbraw/zinc/34/40/52/455344052.db2.gz UBQDRSZKEYXZBF-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158996393 455344056 /nfs/dbraw/zinc/34/40/56/455344056.db2.gz UBQDRSZKEYXZBF-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158996393 455344063 /nfs/dbraw/zinc/34/40/63/455344063.db2.gz UBQDRSZKEYXZBF-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158996393 455344065 /nfs/dbraw/zinc/34/40/65/455344065.db2.gz UBQDRSZKEYXZBF-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000245645676 455346756 /nfs/dbraw/zinc/34/67/56/455346756.db2.gz CBFYPNZPENFERZ-RWQQGDIJSA-N 2 2 328.456 3.202 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000245645676 455346765 /nfs/dbraw/zinc/34/67/65/455346765.db2.gz CBFYPNZPENFERZ-RWQQGDIJSA-N 2 2 328.456 3.202 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000159208730 455361394 /nfs/dbraw/zinc/36/13/94/455361394.db2.gz GVKGLYFHNJQACI-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000159208730 455361399 /nfs/dbraw/zinc/36/13/99/455361399.db2.gz GVKGLYFHNJQACI-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266704570 455439952 /nfs/dbraw/zinc/43/99/52/455439952.db2.gz DMQXDOZGRZWUME-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884167 455468511 /nfs/dbraw/zinc/46/85/11/455468511.db2.gz BBLQKFBTSSLUKY-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884167 455468516 /nfs/dbraw/zinc/46/85/16/455468516.db2.gz BBLQKFBTSSLUKY-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](O)Cc1ccccc1 ZINC000246335369 455472792 /nfs/dbraw/zinc/47/27/92/455472792.db2.gz GLWISBGDMKYHLL-KSCDAYEDSA-N 2 2 338.495 3.089 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](O)Cc1ccccc1 ZINC000246335369 455472795 /nfs/dbraw/zinc/47/27/95/455472795.db2.gz GLWISBGDMKYHLL-KSCDAYEDSA-N 2 2 338.495 3.089 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904255 455472944 /nfs/dbraw/zinc/47/29/44/455472944.db2.gz HGAULXYFYYCQME-LSDHHAIUSA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904255 455472947 /nfs/dbraw/zinc/47/29/47/455472947.db2.gz HGAULXYFYYCQME-LSDHHAIUSA-N 2 2 342.443 3.015 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266908166 455473501 /nfs/dbraw/zinc/47/35/01/455473501.db2.gz IHUDBRQRFBBVGJ-GDBMZVCRSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266908166 455473505 /nfs/dbraw/zinc/47/35/05/455473505.db2.gz IHUDBRQRFBBVGJ-GDBMZVCRSA-N 2 2 326.444 3.179 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918517 455475656 /nfs/dbraw/zinc/47/56/56/455475656.db2.gz LCLDMRDIBXCQTJ-LSDHHAIUSA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918517 455475662 /nfs/dbraw/zinc/47/56/62/455475662.db2.gz LCLDMRDIBXCQTJ-LSDHHAIUSA-N 2 2 342.443 3.015 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114448 455593354 /nfs/dbraw/zinc/59/33/54/455593354.db2.gz KACDEQLHMBDLRS-OXJNMPFZSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114448 455593355 /nfs/dbraw/zinc/59/33/55/455593355.db2.gz KACDEQLHMBDLRS-OXJNMPFZSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000247465951 455605510 /nfs/dbraw/zinc/60/55/10/455605510.db2.gz IVCHWMAJYLZVMM-TXPKVOOTSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000247465951 455605517 /nfs/dbraw/zinc/60/55/17/455605517.db2.gz IVCHWMAJYLZVMM-TXPKVOOTSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC000247465951 455605522 /nfs/dbraw/zinc/60/55/22/455605522.db2.gz IVCHWMAJYLZVMM-TXPKVOOTSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC000247465951 455605527 /nfs/dbraw/zinc/60/55/27/455605527.db2.gz IVCHWMAJYLZVMM-TXPKVOOTSA-N 2 2 349.494 3.198 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000268163793 455606466 /nfs/dbraw/zinc/60/64/66/455606466.db2.gz YSYMEGNMBNDHGX-UHFFFAOYSA-N 2 2 348.491 3.387 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc2c[nH+]cn2c1 ZINC000284044810 455627844 /nfs/dbraw/zinc/62/78/44/455627844.db2.gz UAGMDQJGPRFOKW-UHFFFAOYSA-N 2 2 341.440 3.029 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247581010 455628094 /nfs/dbraw/zinc/62/80/94/455628094.db2.gz LWTYUIZNHSMQKO-IIYDPXPESA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247581010 455628098 /nfs/dbraw/zinc/62/80/98/455628098.db2.gz LWTYUIZNHSMQKO-IIYDPXPESA-N 2 2 348.397 3.071 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000247658422 455635459 /nfs/dbraw/zinc/63/54/59/455635459.db2.gz PTTNOKHLODVMCJ-VKJFTORMSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000247658422 455635464 /nfs/dbraw/zinc/63/54/64/455635464.db2.gz PTTNOKHLODVMCJ-VKJFTORMSA-N 2 2 344.434 3.241 20 0 EGADLP CC[N@H+](CCc1cscn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000284102264 455636913 /nfs/dbraw/zinc/63/69/13/455636913.db2.gz SORSNTKPNXNADI-UHFFFAOYSA-N 2 2 330.501 3.319 20 0 EGADLP CC[N@@H+](CCc1cscn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000284102264 455636918 /nfs/dbraw/zinc/63/69/18/455636918.db2.gz SORSNTKPNXNADI-UHFFFAOYSA-N 2 2 330.501 3.319 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000271454194 455642580 /nfs/dbraw/zinc/64/25/80/455642580.db2.gz OQNXFFLPAUCYFA-KRWDZBQOSA-N 2 2 325.456 3.073 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CSCCc3ccccc32)C[C@@H](C)O1 ZINC000248057573 455676043 /nfs/dbraw/zinc/67/60/43/455676043.db2.gz XSKAVRUVGBPRIK-MDZRGWNJSA-N 2 2 334.529 3.106 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248125179 455684271 /nfs/dbraw/zinc/68/42/71/455684271.db2.gz NVOSYTMOKRKBNL-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248125179 455684280 /nfs/dbraw/zinc/68/42/80/455684280.db2.gz NVOSYTMOKRKBNL-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248125179 455684282 /nfs/dbraw/zinc/68/42/82/455684282.db2.gz NVOSYTMOKRKBNL-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248125179 455684288 /nfs/dbraw/zinc/68/42/88/455684288.db2.gz NVOSYTMOKRKBNL-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](CCc4ccccc4)C3)cn2)c[nH+]1 ZINC000186078374 455689728 /nfs/dbraw/zinc/68/97/28/455689728.db2.gz KFXFSLRSXBPCEI-FQEVSTJZSA-N 2 2 348.450 3.101 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCO[C@@H](CCc4ccccc4)C3)cn2)c[nH+]1 ZINC000186078374 455689735 /nfs/dbraw/zinc/68/97/35/455689735.db2.gz KFXFSLRSXBPCEI-FQEVSTJZSA-N 2 2 348.450 3.101 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000271713352 455731301 /nfs/dbraw/zinc/73/13/01/455731301.db2.gz BLVPSFGETVZROL-HXUWFJFHSA-N 2 2 344.499 3.015 20 0 EGADLP C[C@@]12CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@@H]1C2(Cl)Cl ZINC000284811423 455746456 /nfs/dbraw/zinc/74/64/56/455746456.db2.gz PHDSVWBFEBAEFI-DZGCQCFKSA-N 2 2 337.254 3.283 20 0 EGADLP C[C@@]12CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@@H]1C2(Cl)Cl ZINC000284811423 455746462 /nfs/dbraw/zinc/74/64/62/455746462.db2.gz PHDSVWBFEBAEFI-DZGCQCFKSA-N 2 2 337.254 3.283 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000268965361 455748115 /nfs/dbraw/zinc/74/81/15/455748115.db2.gz AASNUSNDLYCDTN-UHFFFAOYSA-N 2 2 342.487 3.277 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000268965361 455748117 /nfs/dbraw/zinc/74/81/17/455748117.db2.gz AASNUSNDLYCDTN-UHFFFAOYSA-N 2 2 342.487 3.277 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000193996295 455790500 /nfs/dbraw/zinc/79/05/00/455790500.db2.gz VBBOAOTVAZSFGQ-VAMGGRTRSA-N 2 2 340.511 3.371 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000193996295 455790503 /nfs/dbraw/zinc/79/05/03/455790503.db2.gz VBBOAOTVAZSFGQ-VAMGGRTRSA-N 2 2 340.511 3.371 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135531 455796375 /nfs/dbraw/zinc/79/63/75/455796375.db2.gz RAFIDRAEDVSFEN-RHSMWYFYSA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135531 455796377 /nfs/dbraw/zinc/79/63/77/455796377.db2.gz RAFIDRAEDVSFEN-RHSMWYFYSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135531 455796379 /nfs/dbraw/zinc/79/63/79/455796379.db2.gz RAFIDRAEDVSFEN-RHSMWYFYSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135531 455796381 /nfs/dbraw/zinc/79/63/81/455796381.db2.gz RAFIDRAEDVSFEN-RHSMWYFYSA-N 2 2 328.485 3.121 20 0 EGADLP FC(F)(F)Cn1cc[nH+]c1CNc1[nH+]ccn1Cc1ccccc1 ZINC000285158603 455797706 /nfs/dbraw/zinc/79/77/06/455797706.db2.gz LGRAACZMIRLQEU-UHFFFAOYSA-N 2 2 335.333 3.302 20 0 EGADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283159 455817406 /nfs/dbraw/zinc/81/74/06/455817406.db2.gz AQNGGVDMEVFTPD-PXNSSMCTSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283159 455817409 /nfs/dbraw/zinc/81/74/09/455817409.db2.gz AQNGGVDMEVFTPD-PXNSSMCTSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283159 455817416 /nfs/dbraw/zinc/81/74/16/455817416.db2.gz AQNGGVDMEVFTPD-PXNSSMCTSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283159 455817420 /nfs/dbraw/zinc/81/74/20/455817420.db2.gz AQNGGVDMEVFTPD-PXNSSMCTSA-N 2 2 342.483 3.217 20 0 EGADLP COc1cccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000272182636 455869030 /nfs/dbraw/zinc/86/90/30/455869030.db2.gz GBSZZWHAJJZWON-MAUKXSAKSA-N 2 2 340.471 3.404 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccsc1 ZINC000285575650 455873692 /nfs/dbraw/zinc/87/36/92/455873692.db2.gz GWMXVCBXAXMZLD-HQSKLWIPSA-N 2 2 349.544 3.263 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccsc1 ZINC000285575650 455873696 /nfs/dbraw/zinc/87/36/96/455873696.db2.gz GWMXVCBXAXMZLD-HQSKLWIPSA-N 2 2 349.544 3.263 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1Cl ZINC000272202126 455875182 /nfs/dbraw/zinc/87/51/82/455875182.db2.gz JEGUUPOFWNZSKC-ZFWWWQNUSA-N 2 2 345.878 3.443 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610886 455881417 /nfs/dbraw/zinc/88/14/17/455881417.db2.gz VWPDIQODAWNQFU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285610886 455881421 /nfs/dbraw/zinc/88/14/21/455881421.db2.gz VWPDIQODAWNQFU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285610886 455881425 /nfs/dbraw/zinc/88/14/25/455881425.db2.gz VWPDIQODAWNQFU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285610886 455881428 /nfs/dbraw/zinc/88/14/28/455881428.db2.gz VWPDIQODAWNQFU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000285758417 455910488 /nfs/dbraw/zinc/91/04/88/455910488.db2.gz SBGGCIXZZBDQAZ-LJQANCHMSA-N 2 2 338.499 3.253 20 0 EGADLP C[C@@H](c1ccncc1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285769723 455912521 /nfs/dbraw/zinc/91/25/21/455912521.db2.gz WSALMFPXTQNLQJ-IBGZPJMESA-N 2 2 338.499 3.287 20 0 EGADLP C[C@@H](c1ccncc1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285769723 455912525 /nfs/dbraw/zinc/91/25/25/455912525.db2.gz WSALMFPXTQNLQJ-IBGZPJMESA-N 2 2 338.499 3.287 20 0 EGADLP Cc1nc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cs1 ZINC000272326794 455914278 /nfs/dbraw/zinc/91/42/78/455914278.db2.gz XCHOIKMOBBXMIQ-IUODEOHRSA-N 2 2 331.489 3.160 20 0 EGADLP C[NH+](C)Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187706125 455942027 /nfs/dbraw/zinc/94/20/27/455942027.db2.gz NSMRKPPYQHFYEG-IBGZPJMESA-N 2 2 338.430 3.490 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(OC)c1OC ZINC000270465636 455960875 /nfs/dbraw/zinc/96/08/75/455960875.db2.gz AWPDBMZQGUFBBL-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c(OC)c1OC ZINC000270465636 455960879 /nfs/dbraw/zinc/96/08/79/455960879.db2.gz AWPDBMZQGUFBBL-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990956 455976513 /nfs/dbraw/zinc/97/65/13/455976513.db2.gz WXZLYHMYSXVKAA-UXHICEINSA-N 2 2 338.536 3.062 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990956 455976521 /nfs/dbraw/zinc/97/65/21/455976521.db2.gz WXZLYHMYSXVKAA-UXHICEINSA-N 2 2 338.536 3.062 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000296574183 455977931 /nfs/dbraw/zinc/97/79/31/455977931.db2.gz WJEKHDIUGAZMET-INIZCTEOSA-N 2 2 341.503 3.271 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000296574183 455977934 /nfs/dbraw/zinc/97/79/34/455977934.db2.gz WJEKHDIUGAZMET-INIZCTEOSA-N 2 2 341.503 3.271 20 0 EGADLP COc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000262030994 455987206 /nfs/dbraw/zinc/98/72/06/455987206.db2.gz OCIDICVNYGXPKK-KSSFIOAISA-N 2 2 326.440 3.150 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000262030994 455987213 /nfs/dbraw/zinc/98/72/13/455987213.db2.gz OCIDICVNYGXPKK-KSSFIOAISA-N 2 2 326.440 3.150 20 0 EGADLP Clc1cccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000195632275 455990965 /nfs/dbraw/zinc/99/09/65/455990965.db2.gz JMSSTEGCPVZZIX-UHFFFAOYSA-N 2 2 335.923 3.334 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652281 455992050 /nfs/dbraw/zinc/99/20/50/455992050.db2.gz YOAZGFNQPMKPSG-VXKWHMMOSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652281 455992059 /nfs/dbraw/zinc/99/20/59/455992059.db2.gz YOAZGFNQPMKPSG-VXKWHMMOSA-N 2 2 338.495 3.455 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc(Br)cc1F ZINC000296636521 455996384 /nfs/dbraw/zinc/99/63/84/455996384.db2.gz XSLVOWXPKJCQNH-SMHCIBLRSA-N 2 2 342.256 3.259 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc(Br)cc1F ZINC000296636521 455996386 /nfs/dbraw/zinc/99/63/86/455996386.db2.gz XSLVOWXPKJCQNH-SMHCIBLRSA-N 2 2 342.256 3.259 20 0 EGADLP Oc1ccc(CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272570950 455998348 /nfs/dbraw/zinc/99/83/48/455998348.db2.gz OXVOLCOSBWYIMD-UHFFFAOYSA-N 2 2 330.394 3.331 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000209989647 456020359 /nfs/dbraw/zinc/02/03/59/456020359.db2.gz RTMCVRCWFXUUSL-KRWDZBQOSA-N 2 2 339.483 3.413 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744609 456026891 /nfs/dbraw/zinc/02/68/91/456026891.db2.gz JZLILWIQOSLUAP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744609 456026899 /nfs/dbraw/zinc/02/68/99/456026899.db2.gz JZLILWIQOSLUAP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744609 456026901 /nfs/dbraw/zinc/02/69/01/456026901.db2.gz JZLILWIQOSLUAP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744609 456026907 /nfs/dbraw/zinc/02/69/07/456026907.db2.gz JZLILWIQOSLUAP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000216050268 456027987 /nfs/dbraw/zinc/02/79/87/456027987.db2.gz IOUMFBAUVDTVFH-DLBZAZTESA-N 2 2 339.483 3.043 20 0 EGADLP COCC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000297012565 456092531 /nfs/dbraw/zinc/09/25/31/456092531.db2.gz WSIIDXQHGIPTFK-XVAXZDLZSA-N 2 2 346.515 3.072 20 0 EGADLP COCC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000297012565 456092536 /nfs/dbraw/zinc/09/25/36/456092536.db2.gz WSIIDXQHGIPTFK-XVAXZDLZSA-N 2 2 346.515 3.072 20 0 EGADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000301392516 456105906 /nfs/dbraw/zinc/10/59/06/456105906.db2.gz IEPVOUIRUHVVKM-OAHLLOKOSA-N 2 2 345.874 3.437 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000301519133 456136583 /nfs/dbraw/zinc/13/65/83/456136583.db2.gz HEPRSGXNIVLMAF-IAGOWNOFSA-N 2 2 325.460 3.440 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301519147 456137262 /nfs/dbraw/zinc/13/72/62/456137262.db2.gz HFBZCYPFKOJZLD-ZBFHGGJFSA-N 2 2 336.443 3.100 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cscn1 ZINC000271197944 456167189 /nfs/dbraw/zinc/16/71/89/456167189.db2.gz YUFAFRHPDAHHGY-CABCVRRESA-N 2 2 331.485 3.215 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cscn1 ZINC000271197944 456167194 /nfs/dbraw/zinc/16/71/94/456167194.db2.gz YUFAFRHPDAHHGY-CABCVRRESA-N 2 2 331.485 3.215 20 0 EGADLP COc1cccc([C@H](C)[NH+]2CCN(c3nc(C)[nH+]c(C)c3C)CC2)c1 ZINC000301630846 456169099 /nfs/dbraw/zinc/16/90/99/456169099.db2.gz BKIVOAMWFHUXRP-INIZCTEOSA-N 2 2 340.471 3.294 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280125 456170213 /nfs/dbraw/zinc/17/02/13/456170213.db2.gz LHEUBMSPXSENEC-JKIFEVAISA-N 3 2 332.879 3.344 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280125 456170218 /nfs/dbraw/zinc/17/02/18/456170218.db2.gz LHEUBMSPXSENEC-JKIFEVAISA-N 3 2 332.879 3.344 20 0 EGADLP CSc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000271206570 456173458 /nfs/dbraw/zinc/17/34/58/456173458.db2.gz SBBNAMJYQLPIPU-OAHLLOKOSA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000271206570 456173466 /nfs/dbraw/zinc/17/34/66/456173466.db2.gz SBBNAMJYQLPIPU-OAHLLOKOSA-N 2 2 348.512 3.097 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000297296079 456175765 /nfs/dbraw/zinc/17/57/65/456175765.db2.gz MBCDPYWGPAMQIV-WMLDXEAASA-N 2 2 341.459 3.281 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000297296917 456175850 /nfs/dbraw/zinc/17/58/50/456175850.db2.gz AYVFSRABTRXDSO-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000297296917 456175857 /nfs/dbraw/zinc/17/58/57/456175857.db2.gz AYVFSRABTRXDSO-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000297296917 456175862 /nfs/dbraw/zinc/17/58/62/456175862.db2.gz AYVFSRABTRXDSO-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000297296917 456175868 /nfs/dbraw/zinc/17/58/68/456175868.db2.gz AYVFSRABTRXDSO-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000236918568 456201560 /nfs/dbraw/zinc/20/15/60/456201560.db2.gz AVPUXYWKWFNCQR-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000236930974 456204708 /nfs/dbraw/zinc/20/47/08/456204708.db2.gz BDLMDROXOVTYIN-GUYCJALGSA-N 2 2 346.500 3.087 20 0 EGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000236930974 456204709 /nfs/dbraw/zinc/20/47/09/456204709.db2.gz BDLMDROXOVTYIN-GUYCJALGSA-N 2 2 346.500 3.087 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000236949250 456207183 /nfs/dbraw/zinc/20/71/83/456207183.db2.gz UFARBJVCPJBBTE-UHFFFAOYSA-N 2 2 326.444 3.288 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000297461104 456226440 /nfs/dbraw/zinc/22/64/40/456226440.db2.gz XTYIIZYGHZZBRC-HNAYVOBHSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cs1 ZINC000297461104 456226443 /nfs/dbraw/zinc/22/64/43/456226443.db2.gz XTYIIZYGHZZBRC-HNAYVOBHSA-N 2 2 330.497 3.126 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCCC[NH2+]C1CCCCC1 ZINC000301905290 456247518 /nfs/dbraw/zinc/24/75/18/456247518.db2.gz YNFKVLXUTOOCIX-UHFFFAOYSA-N 2 2 330.480 3.306 20 0 EGADLP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(Cl)c1 ZINC000352762202 456283965 /nfs/dbraw/zinc/28/39/65/456283965.db2.gz DRMOETKQVUUFQC-GFCCVEGCSA-N 2 2 339.892 3.415 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000290317840 456288733 /nfs/dbraw/zinc/28/87/33/456288733.db2.gz JGGAEDWBSRLHTL-VYDXJSESSA-N 2 2 345.512 3.339 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000290317840 456288741 /nfs/dbraw/zinc/28/87/41/456288741.db2.gz JGGAEDWBSRLHTL-VYDXJSESSA-N 2 2 345.512 3.339 20 0 EGADLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340184314 456297414 /nfs/dbraw/zinc/29/74/14/456297414.db2.gz PLTRVBBBMWRYOB-JTDSTZFVSA-N 2 2 348.487 3.013 20 0 EGADLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340184314 456297420 /nfs/dbraw/zinc/29/74/20/456297420.db2.gz PLTRVBBBMWRYOB-JTDSTZFVSA-N 2 2 348.487 3.013 20 0 EGADLP O[C@H]([C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198829 456309930 /nfs/dbraw/zinc/30/99/30/456309930.db2.gz CKUWBEWKJCFDEL-HZPDHXFCSA-N 2 2 339.361 3.150 20 0 EGADLP O[C@H]([C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198829 456309936 /nfs/dbraw/zinc/30/99/36/456309936.db2.gz CKUWBEWKJCFDEL-HZPDHXFCSA-N 2 2 339.361 3.150 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000340275563 456355680 /nfs/dbraw/zinc/35/56/80/456355680.db2.gz FBSRTMFFSSULFI-ICSRJNTNSA-N 2 2 330.520 3.023 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000340275563 456355687 /nfs/dbraw/zinc/35/56/87/456355687.db2.gz FBSRTMFFSSULFI-ICSRJNTNSA-N 2 2 330.520 3.023 20 0 EGADLP COCC[N@H+](C)CCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000352841407 456355643 /nfs/dbraw/zinc/35/56/43/456355643.db2.gz QYUIABKMJFUDAH-UHFFFAOYSA-N 2 2 348.318 3.117 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000352841407 456355647 /nfs/dbraw/zinc/35/56/47/456355647.db2.gz QYUIABKMJFUDAH-UHFFFAOYSA-N 2 2 348.318 3.117 20 0 EGADLP COc1ccccc1C[C@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347765048 456356541 /nfs/dbraw/zinc/35/65/41/456356541.db2.gz COODZIHTOOJPFG-AWEZNQCLSA-N 2 2 333.501 3.276 20 0 EGADLP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347765048 456356544 /nfs/dbraw/zinc/35/65/44/456356544.db2.gz COODZIHTOOJPFG-AWEZNQCLSA-N 2 2 333.501 3.276 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000302685934 456375506 /nfs/dbraw/zinc/37/55/06/456375506.db2.gz YFJXMACXWVJIQD-WBVHZDCISA-N 2 2 325.456 3.472 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000302685934 456375510 /nfs/dbraw/zinc/37/55/10/456375510.db2.gz YFJXMACXWVJIQD-WBVHZDCISA-N 2 2 325.456 3.472 20 0 EGADLP C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290676753 456402263 /nfs/dbraw/zinc/40/22/63/456402263.db2.gz LRHWSDIWTYBSSM-GJZGRUSLSA-N 2 2 341.459 3.109 20 0 EGADLP C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000290676753 456402270 /nfs/dbraw/zinc/40/22/70/456402270.db2.gz LRHWSDIWTYBSSM-GJZGRUSLSA-N 2 2 341.459 3.109 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000347860043 456411410 /nfs/dbraw/zinc/41/14/10/456411410.db2.gz RLMKRBDKDIYDSY-GOSISDBHSA-N 2 2 345.512 3.077 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000347860043 456411411 /nfs/dbraw/zinc/41/14/11/456411411.db2.gz RLMKRBDKDIYDSY-GOSISDBHSA-N 2 2 345.512 3.077 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000340389221 456433016 /nfs/dbraw/zinc/43/30/16/456433016.db2.gz FIYLLPVBFDKSAK-XLIONFOSSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000340389221 456433022 /nfs/dbraw/zinc/43/30/22/456433022.db2.gz FIYLLPVBFDKSAK-XLIONFOSSA-N 2 2 334.467 3.477 20 0 EGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077857 456459664 /nfs/dbraw/zinc/45/96/64/456459664.db2.gz PLBRXBOJNGWVBM-CSMYWGQOSA-N 2 2 343.298 3.368 20 0 EGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077857 456459670 /nfs/dbraw/zinc/45/96/70/456459670.db2.gz PLBRXBOJNGWVBM-CSMYWGQOSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077857 456459674 /nfs/dbraw/zinc/45/96/74/456459674.db2.gz PLBRXBOJNGWVBM-CSMYWGQOSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077857 456459679 /nfs/dbraw/zinc/45/96/79/456459679.db2.gz PLBRXBOJNGWVBM-CSMYWGQOSA-N 2 2 343.298 3.368 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340473099 456481287 /nfs/dbraw/zinc/48/12/87/456481287.db2.gz HZEOYBIEPNNSSL-LPHOPBHVSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340473099 456481302 /nfs/dbraw/zinc/48/13/02/456481302.db2.gz HZEOYBIEPNNSSL-LPHOPBHVSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(F)cn1 ZINC000348115637 456493801 /nfs/dbraw/zinc/49/38/01/456493801.db2.gz ZFQHLTAWLRBRAR-AWEZNQCLSA-N 2 2 340.402 3.325 20 0 EGADLP c1cn(Cc2ccc(NCc3nc(-c4ccccc4)c[nH]3)[nH+]c2)c[nH+]1 ZINC000353131299 456512073 /nfs/dbraw/zinc/51/20/73/456512073.db2.gz YPNPYTCEIHRNKZ-UHFFFAOYSA-N 2 2 330.395 3.329 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000282442846 456516499 /nfs/dbraw/zinc/51/64/99/456516499.db2.gz IELHYHBFWGZXMB-JKIFEVAISA-N 2 2 330.501 3.408 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000340535430 456516911 /nfs/dbraw/zinc/51/69/11/456516911.db2.gz YSWYSGLLXQJTFS-ZMYBRWDISA-N 2 2 333.545 3.084 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000340535430 456516917 /nfs/dbraw/zinc/51/69/17/456516917.db2.gz YSWYSGLLXQJTFS-ZMYBRWDISA-N 2 2 333.545 3.084 20 0 EGADLP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797906 456553243 /nfs/dbraw/zinc/55/32/43/456553243.db2.gz GUWRKODQQZJWFM-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797906 456553246 /nfs/dbraw/zinc/55/32/46/456553246.db2.gz GUWRKODQQZJWFM-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000291227390 456571174 /nfs/dbraw/zinc/57/11/74/456571174.db2.gz SWWASNYNKXBAFA-YQQAZPJKSA-N 2 2 327.476 3.071 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000291227390 456571180 /nfs/dbraw/zinc/57/11/80/456571180.db2.gz SWWASNYNKXBAFA-YQQAZPJKSA-N 2 2 327.476 3.071 20 0 EGADLP c1ccc([C@@H]2C[C@H]2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000348264222 456581018 /nfs/dbraw/zinc/58/10/18/456581018.db2.gz MZVQORYAUYCKLQ-VXKWHMMOSA-N 2 2 336.479 3.412 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285623 456581979 /nfs/dbraw/zinc/58/19/79/456581979.db2.gz QMBJZFCEKOOBNM-PKOBYXMFSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285623 456581982 /nfs/dbraw/zinc/58/19/82/456581982.db2.gz QMBJZFCEKOOBNM-PKOBYXMFSA-N 2 2 326.488 3.373 20 0 EGADLP CC(C)n1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161890 456587331 /nfs/dbraw/zinc/58/73/31/456587331.db2.gz PSGIBRMWJDYOBC-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161890 456587338 /nfs/dbraw/zinc/58/73/38/456587338.db2.gz PSGIBRMWJDYOBC-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161890 456587343 /nfs/dbraw/zinc/58/73/43/456587343.db2.gz PSGIBRMWJDYOBC-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161890 456587348 /nfs/dbraw/zinc/58/73/48/456587348.db2.gz PSGIBRMWJDYOBC-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348272081 456588767 /nfs/dbraw/zinc/58/87/67/456588767.db2.gz XPRBJZDMXIQSIV-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348272081 456588772 /nfs/dbraw/zinc/58/87/72/456588772.db2.gz XPRBJZDMXIQSIV-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348272081 456588775 /nfs/dbraw/zinc/58/87/75/456588775.db2.gz XPRBJZDMXIQSIV-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348272081 456588781 /nfs/dbraw/zinc/58/87/81/456588781.db2.gz XPRBJZDMXIQSIV-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000348358358 456645996 /nfs/dbraw/zinc/64/59/96/456645996.db2.gz QVGLPHNWLHDGFW-KRWDZBQOSA-N 2 2 329.419 3.400 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000348358358 456646002 /nfs/dbraw/zinc/64/60/02/456646002.db2.gz QVGLPHNWLHDGFW-KRWDZBQOSA-N 2 2 329.419 3.400 20 0 EGADLP Cc1nc(NC2CC[NH+](C(C)C)CC2)c(Br)c(C)[nH+]1 ZINC000322868738 456651403 /nfs/dbraw/zinc/65/14/03/456651403.db2.gz FPMUCOBETTUKJJ-UHFFFAOYSA-N 2 2 327.270 3.141 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000353384105 456662704 /nfs/dbraw/zinc/66/27/04/456662704.db2.gz JXMDENAINQNFHO-CJNGLKHVSA-N 2 2 334.410 3.205 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000299352626 456666768 /nfs/dbraw/zinc/66/67/68/456666768.db2.gz PHWFUHSJHNUFQM-DOTOQJQBSA-N 2 2 347.459 3.161 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000299352626 456666774 /nfs/dbraw/zinc/66/67/74/456666774.db2.gz PHWFUHSJHNUFQM-DOTOQJQBSA-N 2 2 347.459 3.161 20 0 EGADLP OC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1F ZINC000343509470 456668654 /nfs/dbraw/zinc/66/86/54/456668654.db2.gz RCJWYAHRODOYJB-MRXNPFEDSA-N 2 2 349.837 3.166 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000291535233 456671964 /nfs/dbraw/zinc/67/19/64/456671964.db2.gz KTCCKZZYTOBJQY-UHFFFAOYSA-N 2 2 346.438 3.453 20 0 EGADLP c1cn(CCCC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c[nH+]1 ZINC000340788190 456686425 /nfs/dbraw/zinc/68/64/25/456686425.db2.gz YCQNOFFHSSUJMX-UHFFFAOYSA-N 2 2 340.475 3.192 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000353425163 456691670 /nfs/dbraw/zinc/69/16/70/456691670.db2.gz JEMGYLVIVSCDBM-SJLPKXTDSA-N 2 2 327.472 3.242 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000353425163 456691673 /nfs/dbraw/zinc/69/16/73/456691673.db2.gz JEMGYLVIVSCDBM-SJLPKXTDSA-N 2 2 327.472 3.242 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171227 456705945 /nfs/dbraw/zinc/70/59/45/456705945.db2.gz KSSWGCPRCMBBFQ-UXHICEINSA-N 2 2 343.515 3.156 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171227 456705948 /nfs/dbraw/zinc/70/59/48/456705948.db2.gz KSSWGCPRCMBBFQ-UXHICEINSA-N 2 2 343.515 3.156 20 0 EGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343562863 456708002 /nfs/dbraw/zinc/70/80/02/456708002.db2.gz KKGTZZJGBFYGIK-CYBMUJFWSA-N 2 2 334.261 3.483 20 0 EGADLP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000343562863 456708004 /nfs/dbraw/zinc/70/80/04/456708004.db2.gz KKGTZZJGBFYGIK-CYBMUJFWSA-N 2 2 334.261 3.483 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000353492348 456711893 /nfs/dbraw/zinc/71/18/93/456711893.db2.gz OIMFNAYEELKMDF-UHFFFAOYSA-N 2 2 336.863 3.365 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000353492348 456711899 /nfs/dbraw/zinc/71/18/99/456711899.db2.gz OIMFNAYEELKMDF-UHFFFAOYSA-N 2 2 336.863 3.365 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277230717 456735262 /nfs/dbraw/zinc/73/52/62/456735262.db2.gz YTKSHDRMJJYJQM-AZUAARDMSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277230717 456735267 /nfs/dbraw/zinc/73/52/67/456735267.db2.gz YTKSHDRMJJYJQM-AZUAARDMSA-N 2 2 339.483 3.332 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cnn(-c2ccccc2)c1 ZINC000353539757 456743178 /nfs/dbraw/zinc/74/31/78/456743178.db2.gz AGHUFGKIVJQYMR-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cnn(-c2ccccc2)c1 ZINC000353539757 456743181 /nfs/dbraw/zinc/74/31/81/456743181.db2.gz AGHUFGKIVJQYMR-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1cnn(-c2ccccc2)c1)Cc1ccco1 ZINC000353539757 456743186 /nfs/dbraw/zinc/74/31/86/456743186.db2.gz AGHUFGKIVJQYMR-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1)Cc1ccco1 ZINC000353539757 456743189 /nfs/dbraw/zinc/74/31/89/456743189.db2.gz AGHUFGKIVJQYMR-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299626475 456748040 /nfs/dbraw/zinc/74/80/40/456748040.db2.gz FRJDBOIVBXMNFC-QGZVFWFLSA-N 2 2 335.411 3.022 20 0 EGADLP CCc1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000277261465 456749106 /nfs/dbraw/zinc/74/91/06/456749106.db2.gz WYWXCJVLRAXVRT-KRWDZBQOSA-N 2 2 325.460 3.022 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551295 456753903 /nfs/dbraw/zinc/75/39/03/456753903.db2.gz RQALUYUXLGZLJD-FGTMMUONSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551295 456753906 /nfs/dbraw/zinc/75/39/06/456753906.db2.gz RQALUYUXLGZLJD-FGTMMUONSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353551295 456753910 /nfs/dbraw/zinc/75/39/10/456753910.db2.gz RQALUYUXLGZLJD-FGTMMUONSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353551295 456753913 /nfs/dbraw/zinc/75/39/13/456753913.db2.gz RQALUYUXLGZLJD-FGTMMUONSA-N 2 2 349.519 3.211 20 0 EGADLP CCc1nc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000343632105 456758564 /nfs/dbraw/zinc/75/85/64/456758564.db2.gz RKTULBGYECKDOF-OAQYLSRUSA-N 2 2 336.483 3.450 20 0 EGADLP CCc1nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000343632105 456758574 /nfs/dbraw/zinc/75/85/74/456758574.db2.gz RKTULBGYECKDOF-OAQYLSRUSA-N 2 2 336.483 3.450 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000277331804 456781502 /nfs/dbraw/zinc/78/15/02/456781502.db2.gz VPZDNSLHHSNLRT-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000277331804 456781509 /nfs/dbraw/zinc/78/15/09/456781509.db2.gz VPZDNSLHHSNLRT-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301073003 456790140 /nfs/dbraw/zinc/79/01/40/456790140.db2.gz WSBNIPJEICMXGO-HNNXBMFYSA-N 2 2 346.500 3.455 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c[nH+]1 ZINC000353647750 456827499 /nfs/dbraw/zinc/82/74/99/456827499.db2.gz HGRZVAYYRUFERQ-QGZVFWFLSA-N 2 2 326.444 3.463 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c[nH+]1 ZINC000353647750 456827505 /nfs/dbraw/zinc/82/75/05/456827505.db2.gz HGRZVAYYRUFERQ-QGZVFWFLSA-N 2 2 326.444 3.463 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c2ccccc21 ZINC000338774022 456856778 /nfs/dbraw/zinc/85/67/78/456856778.db2.gz CPMGSIMLGFAOJL-AXUOBQJMSA-N 2 2 330.472 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c2ccccc21 ZINC000338774022 456856780 /nfs/dbraw/zinc/85/67/80/456856780.db2.gz CPMGSIMLGFAOJL-AXUOBQJMSA-N 2 2 330.472 3.241 20 0 EGADLP CCc1oc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948136 456868119 /nfs/dbraw/zinc/86/81/19/456868119.db2.gz MCMNBUZHKFCQFU-KBXCAEBGSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948136 456868122 /nfs/dbraw/zinc/86/81/22/456868122.db2.gz MCMNBUZHKFCQFU-KBXCAEBGSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948136 456868125 /nfs/dbraw/zinc/86/81/25/456868125.db2.gz MCMNBUZHKFCQFU-KBXCAEBGSA-N 2 2 346.471 3.077 20 0 EGADLP COc1cccc2c(NC[C@@]3([NH+](C)C)CCSC3)c(C)c[nH+]c12 ZINC000344974564 456884511 /nfs/dbraw/zinc/88/45/11/456884511.db2.gz WUSSWLHNNAZZIS-SFHVURJKSA-N 2 2 331.485 3.401 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000341693382 456902585 /nfs/dbraw/zinc/90/25/85/456902585.db2.gz RZOYZWNDLQUDKL-SFHVURJKSA-N 2 2 340.471 3.143 20 0 EGADLP FC(F)(F)c1cc[nH+]c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000339055428 456918874 /nfs/dbraw/zinc/91/88/74/456918874.db2.gz AOEJPXYUAAMMHF-UHFFFAOYSA-N 2 2 343.393 3.039 20 0 EGADLP C[C@H]1CN(C/C=C/c2ccc(F)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349272590 456928306 /nfs/dbraw/zinc/92/83/06/456928306.db2.gz ATOZUMJFJIXKRL-CWDCEQMOSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@H]1CN(C/C=C/c2ccc(F)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349272590 456928310 /nfs/dbraw/zinc/92/83/10/456928310.db2.gz ATOZUMJFJIXKRL-CWDCEQMOSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272590 456928313 /nfs/dbraw/zinc/92/83/13/456928313.db2.gz ATOZUMJFJIXKRL-CWDCEQMOSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272590 456928318 /nfs/dbraw/zinc/92/83/18/456928318.db2.gz ATOZUMJFJIXKRL-CWDCEQMOSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349293637 456934817 /nfs/dbraw/zinc/93/48/17/456934817.db2.gz GCRCMNPRKBBAIV-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)c(Cl)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349293637 456934818 /nfs/dbraw/zinc/93/48/18/456934818.db2.gz GCRCMNPRKBBAIV-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccccn2)n1-c1ccccc1 ZINC000349321345 456941377 /nfs/dbraw/zinc/94/13/77/456941377.db2.gz WXSDOBTUAGHLGP-UHFFFAOYSA-N 2 2 349.482 3.140 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000349388428 456960915 /nfs/dbraw/zinc/96/09/15/456960915.db2.gz ZACYAQZOKDDVTL-MRXNPFEDSA-N 2 2 332.488 3.326 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000349388428 456960919 /nfs/dbraw/zinc/96/09/19/456960919.db2.gz ZACYAQZOKDDVTL-MRXNPFEDSA-N 2 2 332.488 3.326 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000349408857 456964763 /nfs/dbraw/zinc/96/47/63/456964763.db2.gz QPOTZXDOIKATGR-UHFFFAOYSA-N 2 2 337.537 3.386 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000349408857 456964768 /nfs/dbraw/zinc/96/47/68/456964768.db2.gz QPOTZXDOIKATGR-UHFFFAOYSA-N 2 2 337.537 3.386 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@@H](C)C1 ZINC000345310380 456974843 /nfs/dbraw/zinc/97/48/43/456974843.db2.gz XAYRTXGZZJRTTL-ARALAYPOSA-N 2 2 344.503 3.029 20 0 EGADLP CC[C@H]1C[N@H+](CCNc2c(C)c[nH+]c3c(OC)cccc23)CCO1 ZINC000362667761 457034808 /nfs/dbraw/zinc/03/48/08/457034808.db2.gz HHNKPYVAAFMLJC-HNNXBMFYSA-N 2 2 329.444 3.075 20 0 EGADLP CC[C@H]1C[N@@H+](CCNc2c(C)c[nH+]c3c(OC)cccc23)CCO1 ZINC000362667761 457034815 /nfs/dbraw/zinc/03/48/15/457034815.db2.gz HHNKPYVAAFMLJC-HNNXBMFYSA-N 2 2 329.444 3.075 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000346576477 457054443 /nfs/dbraw/zinc/05/44/43/457054443.db2.gz QINARTLPPBLFDE-KRWDZBQOSA-N 2 2 346.862 3.003 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000346660241 457098307 /nfs/dbraw/zinc/09/83/07/457098307.db2.gz ULRRPKZTUFAVOU-UHFFFAOYSA-N 2 2 349.219 3.234 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000342090770 457103201 /nfs/dbraw/zinc/10/32/01/457103201.db2.gz BWOYFHYVWNQXNE-QBYUYEEZSA-N 2 2 349.906 3.343 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000342090770 457103205 /nfs/dbraw/zinc/10/32/05/457103205.db2.gz BWOYFHYVWNQXNE-QBYUYEEZSA-N 2 2 349.906 3.343 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000346695613 457116653 /nfs/dbraw/zinc/11/66/53/457116653.db2.gz DUEZVYJCCDLRCA-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000346695613 457116658 /nfs/dbraw/zinc/11/66/58/457116658.db2.gz DUEZVYJCCDLRCA-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000354185522 457117821 /nfs/dbraw/zinc/11/78/21/457117821.db2.gz CQCFFXDKPWIXAN-UHFFFAOYSA-N 2 2 327.384 3.055 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851251 457124124 /nfs/dbraw/zinc/12/41/24/457124124.db2.gz MJKGRKSWMOTHAL-SJORKVTESA-N 2 2 348.535 3.133 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851251 457124128 /nfs/dbraw/zinc/12/41/28/457124128.db2.gz MJKGRKSWMOTHAL-SJORKVTESA-N 2 2 348.535 3.133 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209639 457133102 /nfs/dbraw/zinc/13/31/02/457133102.db2.gz QWSFJTDDCVASGJ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209639 457133104 /nfs/dbraw/zinc/13/31/04/457133104.db2.gz QWSFJTDDCVASGJ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209639 457133108 /nfs/dbraw/zinc/13/31/08/457133108.db2.gz QWSFJTDDCVASGJ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209639 457133110 /nfs/dbraw/zinc/13/31/10/457133110.db2.gz QWSFJTDDCVASGJ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000354256899 457158551 /nfs/dbraw/zinc/15/85/51/457158551.db2.gz XAWIKKWSXLQZFQ-RBUKOAKNSA-N 2 2 349.563 3.218 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000354256899 457158556 /nfs/dbraw/zinc/15/85/56/457158556.db2.gz XAWIKKWSXLQZFQ-RBUKOAKNSA-N 2 2 349.563 3.218 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ncc(Br)s1)CCC2 ZINC000359949191 457165590 /nfs/dbraw/zinc/16/55/90/457165590.db2.gz KEHAJDWWOZMUPN-SNVBAGLBSA-N 2 2 341.278 3.078 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000346783838 457168413 /nfs/dbraw/zinc/16/84/13/457168413.db2.gz AIIFJHHKDOFJKY-HDMKZQKVSA-N 2 2 332.492 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000346783838 457168419 /nfs/dbraw/zinc/16/84/19/457168419.db2.gz AIIFJHHKDOFJKY-HDMKZQKVSA-N 2 2 332.492 3.350 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000359963154 457173742 /nfs/dbraw/zinc/17/37/42/457173742.db2.gz JNLYCRVPTMPTQO-QZTJIDSGSA-N 2 2 326.488 3.330 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000356863099 457184514 /nfs/dbraw/zinc/18/45/14/457184514.db2.gz WALLXFMKQZEOTP-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000356863099 457184518 /nfs/dbraw/zinc/18/45/18/457184518.db2.gz WALLXFMKQZEOTP-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000356863099 457184521 /nfs/dbraw/zinc/18/45/21/457184521.db2.gz WALLXFMKQZEOTP-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000356863099 457184524 /nfs/dbraw/zinc/18/45/24/457184524.db2.gz WALLXFMKQZEOTP-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1OC ZINC000356875432 457192014 /nfs/dbraw/zinc/19/20/14/457192014.db2.gz QPHAJFFTFIAKOH-UHFFFAOYSA-N 2 2 346.393 3.210 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000360036927 457217762 /nfs/dbraw/zinc/21/77/62/457217762.db2.gz HUXSAPRUBJBYTE-HNNXBMFYSA-N 2 2 334.460 3.369 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000360036927 457217765 /nfs/dbraw/zinc/21/77/65/457217765.db2.gz HUXSAPRUBJBYTE-HNNXBMFYSA-N 2 2 334.460 3.369 20 0 EGADLP CC[N@H+](CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1)C(C)C ZINC000354435005 457219996 /nfs/dbraw/zinc/21/99/96/457219996.db2.gz RSXUINSSBSAQPL-UHFFFAOYSA-N 2 2 342.487 3.150 20 0 EGADLP CC[N@@H+](CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1)C(C)C ZINC000354435005 457220002 /nfs/dbraw/zinc/22/00/02/457220002.db2.gz RSXUINSSBSAQPL-UHFFFAOYSA-N 2 2 342.487 3.150 20 0 EGADLP CCOc1c(OC)cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000347096242 457227632 /nfs/dbraw/zinc/22/76/32/457227632.db2.gz JAZXPHAFWBZLCB-UHFFFAOYSA-N 2 2 348.487 3.067 20 0 EGADLP Cn1c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)nc2cc(Cl)ccc21 ZINC000360167385 457286057 /nfs/dbraw/zinc/28/60/57/457286057.db2.gz XHMKOHFUILYZGO-UHFFFAOYSA-N 2 2 334.895 3.438 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347229721 457300228 /nfs/dbraw/zinc/30/02/28/457300228.db2.gz XQGBILJJNGXNIR-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347229721 457300229 /nfs/dbraw/zinc/30/02/29/457300229.db2.gz XQGBILJJNGXNIR-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845818 457307943 /nfs/dbraw/zinc/30/79/43/457307943.db2.gz JISGDVQVCXPTLE-QWHCGFSZSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845818 457307944 /nfs/dbraw/zinc/30/79/44/457307944.db2.gz JISGDVQVCXPTLE-QWHCGFSZSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000339845818 457307952 /nfs/dbraw/zinc/30/79/52/457307952.db2.gz JISGDVQVCXPTLE-QWHCGFSZSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000339845818 457307956 /nfs/dbraw/zinc/30/79/56/457307956.db2.gz JISGDVQVCXPTLE-QWHCGFSZSA-N 2 2 329.307 3.427 20 0 EGADLP COc1cc[nH+]c(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000355336647 457358570 /nfs/dbraw/zinc/35/85/70/457358570.db2.gz QBFFOMWMNLYCNJ-LJQANCHMSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc[nH+]c(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000355336647 457358575 /nfs/dbraw/zinc/35/85/75/457358575.db2.gz QBFFOMWMNLYCNJ-LJQANCHMSA-N 2 2 325.456 3.187 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000342546046 457359688 /nfs/dbraw/zinc/35/96/88/457359688.db2.gz RLNYXKOHJPPKMO-JUSBFGHESA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000342546046 457359692 /nfs/dbraw/zinc/35/96/92/457359692.db2.gz RLNYXKOHJPPKMO-JUSBFGHESA-N 2 2 326.484 3.369 20 0 EGADLP Fc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ncc[nH]2)cc1 ZINC000363867779 457457787 /nfs/dbraw/zinc/45/77/87/457457787.db2.gz SURVPTCVUXXIIC-GOSISDBHSA-N 2 2 339.418 3.003 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000357364353 457474433 /nfs/dbraw/zinc/47/44/33/457474433.db2.gz MHHRTYCYMQICCP-IAGOWNOFSA-N 2 2 332.492 3.119 20 0 EGADLP CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1c[nH+]c(N(C)C)n1C)CCC2 ZINC000425342745 457505763 /nfs/dbraw/zinc/50/57/63/457505763.db2.gz ZVFYNQYJYJJPSA-AWEZNQCLSA-N 2 2 333.505 3.014 20 0 EGADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c[nH+]c(N(C)C)n1C)CCC2 ZINC000425342745 457505774 /nfs/dbraw/zinc/50/57/74/457505774.db2.gz ZVFYNQYJYJJPSA-AWEZNQCLSA-N 2 2 333.505 3.014 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000406012215 457554322 /nfs/dbraw/zinc/55/43/22/457554322.db2.gz TZLGXZIQHROMKW-FQEVSTJZSA-N 2 2 326.488 3.392 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000406012215 457554335 /nfs/dbraw/zinc/55/43/35/457554335.db2.gz TZLGXZIQHROMKW-FQEVSTJZSA-N 2 2 326.488 3.392 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309068 457565921 /nfs/dbraw/zinc/56/59/21/457565921.db2.gz STGOOSCKVOXRHI-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309068 457565924 /nfs/dbraw/zinc/56/59/24/457565924.db2.gz STGOOSCKVOXRHI-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309068 457565929 /nfs/dbraw/zinc/56/59/29/457565929.db2.gz STGOOSCKVOXRHI-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309068 457565935 /nfs/dbraw/zinc/56/59/35/457565935.db2.gz STGOOSCKVOXRHI-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)s1 ZINC000352733544 457568098 /nfs/dbraw/zinc/56/80/98/457568098.db2.gz SGIFUFOQDYHGGD-HNNXBMFYSA-N 2 2 335.448 3.347 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)n21 ZINC000356395756 457603779 /nfs/dbraw/zinc/60/37/79/457603779.db2.gz NSGMUUQAOLUWSR-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)n21 ZINC000356395756 457603784 /nfs/dbraw/zinc/60/37/84/457603784.db2.gz NSGMUUQAOLUWSR-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000374445364 457630136 /nfs/dbraw/zinc/63/01/36/457630136.db2.gz YXZVKDLNZIUNBR-GOSISDBHSA-N 2 2 344.890 3.175 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000364576433 457645669 /nfs/dbraw/zinc/64/56/69/457645669.db2.gz HMKYXYCRMUSDST-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)CC1 ZINC000364576433 457645672 /nfs/dbraw/zinc/64/56/72/457645672.db2.gz HMKYXYCRMUSDST-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944642 457657214 /nfs/dbraw/zinc/65/72/14/457657214.db2.gz NTBTWSPSFWVJMI-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944642 457657221 /nfs/dbraw/zinc/65/72/21/457657221.db2.gz NTBTWSPSFWVJMI-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccc(F)cc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425944642 457657228 /nfs/dbraw/zinc/65/72/28/457657228.db2.gz NTBTWSPSFWVJMI-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccc(F)cc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425944642 457657239 /nfs/dbraw/zinc/65/72/39/457657239.db2.gz NTBTWSPSFWVJMI-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C[C@@H]21 ZINC000374593014 457668108 /nfs/dbraw/zinc/66/81/08/457668108.db2.gz ICVTZLLICGBYCC-AYOQOUSVSA-N 2 2 337.423 3.073 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Cl)cc3OC)CC2)c1 ZINC000361253204 457668314 /nfs/dbraw/zinc/66/83/14/457668314.db2.gz ZVLQHZKJXORNKP-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000357777060 457685806 /nfs/dbraw/zinc/68/58/06/457685806.db2.gz YCPAEIIFLZLHML-OAHLLOKOSA-N 2 2 327.476 3.055 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000357777060 457685811 /nfs/dbraw/zinc/68/58/11/457685811.db2.gz YCPAEIIFLZLHML-OAHLLOKOSA-N 2 2 327.476 3.055 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000370643143 457689720 /nfs/dbraw/zinc/68/97/20/457689720.db2.gz IEPAARMBQWLQRR-LAUBAEHRSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000370643143 457689723 /nfs/dbraw/zinc/68/97/23/457689723.db2.gz IEPAARMBQWLQRR-LAUBAEHRSA-N 2 2 338.499 3.148 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000364831960 457702348 /nfs/dbraw/zinc/70/23/48/457702348.db2.gz WITJDSGJXGVNPV-DLBZAZTESA-N 2 2 337.471 3.394 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[N@H+]3[C@H](C)CCC[C@@H]3C)CC2)n1 ZINC000361355876 457704626 /nfs/dbraw/zinc/70/46/26/457704626.db2.gz OBDKHBHKIHVTGD-IYBDPMFKSA-N 2 2 336.549 3.273 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[N@@H+]3[C@H](C)CCC[C@@H]3C)CC2)n1 ZINC000361355876 457704629 /nfs/dbraw/zinc/70/46/29/457704629.db2.gz OBDKHBHKIHVTGD-IYBDPMFKSA-N 2 2 336.549 3.273 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000370882879 457732621 /nfs/dbraw/zinc/73/26/21/457732621.db2.gz ALNDVSXXWGYFDJ-GUYCJALGSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000370882879 457732624 /nfs/dbraw/zinc/73/26/24/457732624.db2.gz ALNDVSXXWGYFDJ-GUYCJALGSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)oc2c1 ZINC000370882879 457732627 /nfs/dbraw/zinc/73/26/27/457732627.db2.gz ALNDVSXXWGYFDJ-GUYCJALGSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)oc2c1 ZINC000370882879 457732631 /nfs/dbraw/zinc/73/26/31/457732631.db2.gz ALNDVSXXWGYFDJ-GUYCJALGSA-N 2 2 329.419 3.416 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000358002575 457736235 /nfs/dbraw/zinc/73/62/35/457736235.db2.gz GWFOTAQCPJSUOM-JXFKEZNVSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000358002575 457736238 /nfs/dbraw/zinc/73/62/38/457736238.db2.gz GWFOTAQCPJSUOM-JXFKEZNVSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000358002579 457736961 /nfs/dbraw/zinc/73/69/61/457736961.db2.gz GWFOTAQCPJSUOM-UZLBHIALSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000358002579 457736965 /nfs/dbraw/zinc/73/69/65/457736965.db2.gz GWFOTAQCPJSUOM-UZLBHIALSA-N 2 2 326.488 3.154 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358016991 457740782 /nfs/dbraw/zinc/74/07/82/457740782.db2.gz NMHJDUIEXLJQTM-HRAATJIYSA-N 2 2 338.499 3.186 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358016991 457740783 /nfs/dbraw/zinc/74/07/83/457740783.db2.gz NMHJDUIEXLJQTM-HRAATJIYSA-N 2 2 338.499 3.186 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000358155047 457820522 /nfs/dbraw/zinc/82/05/22/457820522.db2.gz OFKAKQBDWYJWME-UONOGXRCSA-N 2 2 341.293 3.211 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161859 457825880 /nfs/dbraw/zinc/82/58/80/457825880.db2.gz RMZPTCOIBOFADI-GOEBONIOSA-N 2 2 330.501 3.068 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161859 457825888 /nfs/dbraw/zinc/82/58/88/457825888.db2.gz RMZPTCOIBOFADI-GOEBONIOSA-N 2 2 330.501 3.068 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCC[NH+]2CCCCC2)cn1 ZINC000444626425 457922011 /nfs/dbraw/zinc/92/20/11/457922011.db2.gz UBFRDNJDNIUJFZ-HXUWFJFHSA-N 2 2 344.478 3.456 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCC[NH+]2CCCCC2)cn1 ZINC000444626425 457922014 /nfs/dbraw/zinc/92/20/14/457922014.db2.gz UBFRDNJDNIUJFZ-HXUWFJFHSA-N 2 2 344.478 3.456 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885355 457929583 /nfs/dbraw/zinc/92/95/83/457929583.db2.gz HYVXOBYVIZVJJR-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885355 457929589 /nfs/dbraw/zinc/92/95/89/457929589.db2.gz HYVXOBYVIZVJJR-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)S1=O ZINC000411615824 457930301 /nfs/dbraw/zinc/93/03/01/457930301.db2.gz CKEPWGJEPKDFRG-IRXDYDNUSA-N 2 2 334.529 3.014 20 0 EGADLP Cc1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000434017342 457933177 /nfs/dbraw/zinc/93/31/77/457933177.db2.gz MPXKQSJTMZWMEK-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000434017342 457933183 /nfs/dbraw/zinc/93/31/83/457933183.db2.gz MPXKQSJTMZWMEK-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000434017342 457933188 /nfs/dbraw/zinc/93/31/88/457933188.db2.gz MPXKQSJTMZWMEK-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1 ZINC000434017342 457933193 /nfs/dbraw/zinc/93/31/93/457933193.db2.gz MPXKQSJTMZWMEK-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000358336380 457940335 /nfs/dbraw/zinc/94/03/35/457940335.db2.gz PSDAOLJEROVRHF-PXNSSMCTSA-N 2 2 345.531 3.136 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000358336380 457940340 /nfs/dbraw/zinc/94/03/40/457940340.db2.gz PSDAOLJEROVRHF-PXNSSMCTSA-N 2 2 345.531 3.136 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427103797 457944028 /nfs/dbraw/zinc/94/40/28/457944028.db2.gz ZBLJGVSOCOZCCO-RDTXWAMCSA-N 2 2 330.863 3.018 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427103797 457944031 /nfs/dbraw/zinc/94/40/31/457944031.db2.gz ZBLJGVSOCOZCCO-RDTXWAMCSA-N 2 2 330.863 3.018 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000361965053 457982108 /nfs/dbraw/zinc/98/21/08/457982108.db2.gz AXSVCTLPDUZLSU-QILLFSRXSA-N 2 2 327.476 3.099 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434797752 458053894 /nfs/dbraw/zinc/05/38/94/458053894.db2.gz ZRUUEOCEEVCJSY-SFHVURJKSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434797752 458053896 /nfs/dbraw/zinc/05/38/96/458053896.db2.gz ZRUUEOCEEVCJSY-SFHVURJKSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428052698 458073051 /nfs/dbraw/zinc/07/30/51/458073051.db2.gz ZNPHMLLJRJCXOE-UXIGCNINSA-N 2 2 332.835 3.135 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428052698 458073057 /nfs/dbraw/zinc/07/30/57/458073057.db2.gz ZNPHMLLJRJCXOE-UXIGCNINSA-N 2 2 332.835 3.135 20 0 EGADLP Fc1cccc2c1OCC[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000435041381 458082480 /nfs/dbraw/zinc/08/24/80/458082480.db2.gz ICLPHMTVMDQCHK-UHFFFAOYSA-N 2 2 329.400 3.468 20 0 EGADLP Fc1cccc2c1OCC[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000435041381 458082486 /nfs/dbraw/zinc/08/24/86/458082486.db2.gz ICLPHMTVMDQCHK-UHFFFAOYSA-N 2 2 329.400 3.468 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1COCc2ccccc21 ZINC000428213562 458098820 /nfs/dbraw/zinc/09/88/20/458098820.db2.gz UGQWHOHECCLVNV-CZAAIQMYSA-N 2 2 337.467 3.153 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1COCc2ccccc21 ZINC000428213562 458098825 /nfs/dbraw/zinc/09/88/25/458098825.db2.gz UGQWHOHECCLVNV-CZAAIQMYSA-N 2 2 337.467 3.153 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369653 458120257 /nfs/dbraw/zinc/12/02/57/458120257.db2.gz GBEWAQAEIJCVJH-NEPJUHHUSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369653 458120263 /nfs/dbraw/zinc/12/02/63/458120263.db2.gz GBEWAQAEIJCVJH-NEPJUHHUSA-N 2 2 349.276 3.008 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435369727 458122357 /nfs/dbraw/zinc/12/23/57/458122357.db2.gz GJRJCZYZSUVOBT-UHFFFAOYSA-N 2 2 325.456 3.073 20 0 EGADLP Cc1cc(C[N@H+]2CCC[NH2+]CC2)cc(C)c1OCc1ccccn1 ZINC000435369727 458122364 /nfs/dbraw/zinc/12/23/64/458122364.db2.gz GJRJCZYZSUVOBT-UHFFFAOYSA-N 2 2 325.456 3.073 20 0 EGADLP CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412194053 458124137 /nfs/dbraw/zinc/12/41/37/458124137.db2.gz BCQQGKSMEVIJOQ-UHFFFAOYSA-N 2 2 340.471 3.031 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435379313 458128796 /nfs/dbraw/zinc/12/87/96/458128796.db2.gz LZPNSRKYMVNEAW-CYBMUJFWSA-N 2 2 331.847 3.371 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435379313 458128800 /nfs/dbraw/zinc/12/88/00/458128800.db2.gz LZPNSRKYMVNEAW-CYBMUJFWSA-N 2 2 331.847 3.371 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435381674 458130922 /nfs/dbraw/zinc/13/09/22/458130922.db2.gz VGZSYFALBLYIPH-WBAXXEDZSA-N 2 2 343.496 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435381674 458130926 /nfs/dbraw/zinc/13/09/26/458130926.db2.gz VGZSYFALBLYIPH-WBAXXEDZSA-N 2 2 343.496 3.200 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1cccc(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422604 458142776 /nfs/dbraw/zinc/14/27/76/458142776.db2.gz MQHPHVBBMYRXDX-LJQANCHMSA-N 2 2 338.499 3.356 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1cccc(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422604 458142783 /nfs/dbraw/zinc/14/27/83/458142783.db2.gz MQHPHVBBMYRXDX-LJQANCHMSA-N 2 2 338.499 3.356 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H](C)[N@H+]1C ZINC000358678635 458146977 /nfs/dbraw/zinc/14/69/77/458146977.db2.gz MDVLJLDRKVCSAV-GASCZTMLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H](C)[N@@H+]1C ZINC000358678635 458146982 /nfs/dbraw/zinc/14/69/82/458146982.db2.gz MDVLJLDRKVCSAV-GASCZTMLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435614988 458171796 /nfs/dbraw/zinc/17/17/96/458171796.db2.gz OJPYWQYMPWMUFG-WBVHZDCISA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435614988 458171804 /nfs/dbraw/zinc/17/18/04/458171804.db2.gz OJPYWQYMPWMUFG-WBVHZDCISA-N 2 2 343.471 3.026 20 0 EGADLP c1coc(-c2ncc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)s2)c1 ZINC000369326908 458173342 /nfs/dbraw/zinc/17/33/42/458173342.db2.gz MGGIGOKAHGHSHL-UHFFFAOYSA-N 2 2 337.408 3.274 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617065 458174006 /nfs/dbraw/zinc/17/40/06/458174006.db2.gz OJSUXDBVVDOHON-GOSISDBHSA-N 2 2 337.467 3.366 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617065 458174012 /nfs/dbraw/zinc/17/40/12/458174012.db2.gz OJSUXDBVVDOHON-GOSISDBHSA-N 2 2 337.467 3.366 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC000446839574 458236067 /nfs/dbraw/zinc/23/60/67/458236067.db2.gz TTWPXWLSKKLXSN-MRXNPFEDSA-N 2 2 334.504 3.346 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC000446839574 458236071 /nfs/dbraw/zinc/23/60/71/458236071.db2.gz TTWPXWLSKKLXSN-MRXNPFEDSA-N 2 2 334.504 3.346 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446884428 458242605 /nfs/dbraw/zinc/24/26/05/458242605.db2.gz OGMYMMCLGUXKJY-FQEVSTJZSA-N 3 2 327.516 3.115 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446884428 458242611 /nfs/dbraw/zinc/24/26/11/458242611.db2.gz OGMYMMCLGUXKJY-FQEVSTJZSA-N 3 2 327.516 3.115 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524697 458244622 /nfs/dbraw/zinc/24/46/22/458244622.db2.gz JFYVUHQVMQBNLH-KSSFIOAISA-N 2 2 338.455 3.023 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524697 458244625 /nfs/dbraw/zinc/24/46/25/458244625.db2.gz JFYVUHQVMQBNLH-KSSFIOAISA-N 2 2 338.455 3.023 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000459064263 458256069 /nfs/dbraw/zinc/25/60/69/458256069.db2.gz SBTKJINQGXKGQO-MRXNPFEDSA-N 2 2 349.523 3.118 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000372274693 458259140 /nfs/dbraw/zinc/25/91/40/458259140.db2.gz RTXAXTZSGQTJEL-XLIONFOSSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000372274693 458259147 /nfs/dbraw/zinc/25/91/47/458259147.db2.gz RTXAXTZSGQTJEL-XLIONFOSSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000372274693 458259152 /nfs/dbraw/zinc/25/91/52/458259152.db2.gz RTXAXTZSGQTJEL-XLIONFOSSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000372274693 458259159 /nfs/dbraw/zinc/25/91/59/458259159.db2.gz RTXAXTZSGQTJEL-XLIONFOSSA-N 2 2 337.467 3.283 20 0 EGADLP Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)c[nH+]1 ZINC000459075820 458260330 /nfs/dbraw/zinc/26/03/30/458260330.db2.gz LNNVAZJQGSQFAN-UHFFFAOYSA-N 2 2 346.500 3.033 20 0 EGADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027444 458261153 /nfs/dbraw/zinc/26/11/53/458261153.db2.gz ZRMMAUPSUJPKOT-DBXWQHBBSA-N 2 2 338.499 3.094 20 0 EGADLP C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027444 458261158 /nfs/dbraw/zinc/26/11/58/458261158.db2.gz ZRMMAUPSUJPKOT-DBXWQHBBSA-N 2 2 338.499 3.094 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC1 ZINC000459116519 458268526 /nfs/dbraw/zinc/26/85/26/458268526.db2.gz OPMZGKRWUNFDFN-MRXNPFEDSA-N 2 2 349.523 3.118 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC1 ZINC000459116519 458268530 /nfs/dbraw/zinc/26/85/30/458268530.db2.gz OPMZGKRWUNFDFN-MRXNPFEDSA-N 2 2 349.523 3.118 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000429154425 458282436 /nfs/dbraw/zinc/28/24/36/458282436.db2.gz KSUZAIGMEFWYGH-GJZGRUSLSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000429154425 458282441 /nfs/dbraw/zinc/28/24/41/458282441.db2.gz KSUZAIGMEFWYGH-GJZGRUSLSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000429154425 458282446 /nfs/dbraw/zinc/28/24/46/458282446.db2.gz KSUZAIGMEFWYGH-GJZGRUSLSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000429154425 458282451 /nfs/dbraw/zinc/28/24/51/458282451.db2.gz KSUZAIGMEFWYGH-GJZGRUSLSA-N 2 2 339.886 3.474 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602517 458286311 /nfs/dbraw/zinc/28/63/11/458286311.db2.gz QRNOMKJHEYPPKI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602517 458286314 /nfs/dbraw/zinc/28/63/14/458286314.db2.gz QRNOMKJHEYPPKI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)o2)c1 ZINC000369602517 458286317 /nfs/dbraw/zinc/28/63/17/458286317.db2.gz QRNOMKJHEYPPKI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)o2)c1 ZINC000369602517 458286319 /nfs/dbraw/zinc/28/63/19/458286319.db2.gz QRNOMKJHEYPPKI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000447542413 458308190 /nfs/dbraw/zinc/30/81/90/458308190.db2.gz JEEFKTATVMDHFM-NWANDNLSSA-N 2 2 334.460 3.214 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000447542413 458308195 /nfs/dbraw/zinc/30/81/95/458308195.db2.gz JEEFKTATVMDHFM-NWANDNLSSA-N 2 2 334.460 3.214 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000447540373 458308412 /nfs/dbraw/zinc/30/84/12/458308412.db2.gz CTJUFTWRPQGFKH-JXFKEZNVSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000447540373 458308414 /nfs/dbraw/zinc/30/84/14/458308414.db2.gz CTJUFTWRPQGFKH-JXFKEZNVSA-N 2 2 326.488 3.154 20 0 EGADLP CSC[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289913 458309067 /nfs/dbraw/zinc/30/90/67/458309067.db2.gz CUZSYFSACBOCFY-UXHICEINSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289913 458309072 /nfs/dbraw/zinc/30/90/72/458309072.db2.gz CUZSYFSACBOCFY-UXHICEINSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289913 458309076 /nfs/dbraw/zinc/30/90/76/458309076.db2.gz CUZSYFSACBOCFY-UXHICEINSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289913 458309080 /nfs/dbraw/zinc/30/90/80/458309080.db2.gz CUZSYFSACBOCFY-UXHICEINSA-N 2 2 348.556 3.353 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730510 458328202 /nfs/dbraw/zinc/32/82/02/458328202.db2.gz ZUYNGLWTSYVZCD-BEFAXECRSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730510 458328206 /nfs/dbraw/zinc/32/82/06/458328206.db2.gz ZUYNGLWTSYVZCD-BEFAXECRSA-N 2 2 333.907 3.039 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000447728063 458334700 /nfs/dbraw/zinc/33/47/00/458334700.db2.gz KMBLEPLZFCSQCD-LPHOPBHVSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000447728063 458334705 /nfs/dbraw/zinc/33/47/05/458334705.db2.gz KMBLEPLZFCSQCD-LPHOPBHVSA-N 2 2 335.923 3.106 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(Cl)c1O ZINC000459354665 458340886 /nfs/dbraw/zinc/34/08/86/458340886.db2.gz JLMKCCWNOMFJHD-GDBMZVCRSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354665 458340893 /nfs/dbraw/zinc/34/08/93/458340893.db2.gz JLMKCCWNOMFJHD-GDBMZVCRSA-N 2 2 338.879 3.360 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000429720135 458362896 /nfs/dbraw/zinc/36/28/96/458362896.db2.gz FBKLSSIFVSTTPZ-UHFFFAOYSA-N 2 2 343.402 3.011 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000372976877 458364097 /nfs/dbraw/zinc/36/40/97/458364097.db2.gz PGIXLTRBFFCCEP-RTBURBONSA-N 2 2 334.891 3.462 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000376734712 458378285 /nfs/dbraw/zinc/37/82/85/458378285.db2.gz CLYWBGWZXMDQPS-KBPBESRZSA-N 2 2 339.277 3.174 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000373116232 458401430 /nfs/dbraw/zinc/40/14/30/458401430.db2.gz SYGOZVVAAXPENY-SNVBAGLBSA-N 2 2 330.379 3.275 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000373116232 458401433 /nfs/dbraw/zinc/40/14/33/458401433.db2.gz SYGOZVVAAXPENY-SNVBAGLBSA-N 2 2 330.379 3.275 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430142244 458408791 /nfs/dbraw/zinc/40/87/91/458408791.db2.gz BKIPCOYZQNZCSW-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430142244 458408793 /nfs/dbraw/zinc/40/87/93/458408793.db2.gz BKIPCOYZQNZCSW-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000430142244 458408797 /nfs/dbraw/zinc/40/87/97/458408797.db2.gz BKIPCOYZQNZCSW-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000430142244 458408801 /nfs/dbraw/zinc/40/88/01/458408801.db2.gz BKIPCOYZQNZCSW-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2F)CCC[NH2+]1 ZINC000423447532 458434800 /nfs/dbraw/zinc/43/48/00/458434800.db2.gz ZUCGHGPIHNHDOE-XHDPSFHLSA-N 2 2 345.256 3.007 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423495214 458443859 /nfs/dbraw/zinc/44/38/59/458443859.db2.gz UAJJIRFZTLHZMF-MJGOQNOKSA-N 2 2 346.515 3.474 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000423515954 458448996 /nfs/dbraw/zinc/44/89/96/458448996.db2.gz XROGFRXOQHMYFQ-BLLLJJGKSA-N 2 2 332.469 3.448 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000423519064 458450047 /nfs/dbraw/zinc/45/00/47/458450047.db2.gz ZUCCVQMKTBWHCK-KBXCAEBGSA-N 2 2 326.440 3.371 20 0 EGADLP CC[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000423526173 458451231 /nfs/dbraw/zinc/45/12/31/458451231.db2.gz LCKPINYAJCWILS-HXUWFJFHSA-N 3 2 338.499 3.116 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530022 458452645 /nfs/dbraw/zinc/45/26/45/458452645.db2.gz QWUGDHKNSKZPLH-WOJBJXKFSA-N 3 2 347.522 3.488 20 0 EGADLP CCCCCOc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423546433 458455600 /nfs/dbraw/zinc/45/56/00/458455600.db2.gz DGFFKOIFQDYJNP-WOJBJXKFSA-N 2 2 332.488 3.285 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423554626 458457001 /nfs/dbraw/zinc/45/70/01/458457001.db2.gz WZQFZOLYKCJDEV-SQGPQFPESA-N 3 2 347.934 3.282 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430575361 458463765 /nfs/dbraw/zinc/46/37/65/458463765.db2.gz QUCMHZHLTJEIKU-FXAWDEMLSA-N 2 2 349.494 3.136 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000430574569 458464065 /nfs/dbraw/zinc/46/40/65/458464065.db2.gz SYJTWIUDZPSACS-SFHVURJKSA-N 2 2 348.450 3.411 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000430574569 458464067 /nfs/dbraw/zinc/46/40/67/458464067.db2.gz SYJTWIUDZPSACS-SFHVURJKSA-N 2 2 348.450 3.411 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586029 458466870 /nfs/dbraw/zinc/46/68/70/458466870.db2.gz XTVGFDCQAMDRFZ-ZWKOTPCHSA-N 2 2 343.515 3.412 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586029 458466873 /nfs/dbraw/zinc/46/68/73/458466873.db2.gz XTVGFDCQAMDRFZ-ZWKOTPCHSA-N 2 2 343.515 3.412 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC(C)C ZINC000377118273 458467187 /nfs/dbraw/zinc/46/71/87/458467187.db2.gz ZNJAKWYFLVGBPC-UHFFFAOYSA-N 2 2 329.444 3.305 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599411 458468736 /nfs/dbraw/zinc/46/87/36/458468736.db2.gz QEJCAPVZSWMGEY-OCCSQVGLSA-N 2 2 345.468 3.098 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599411 458468742 /nfs/dbraw/zinc/46/87/42/458468742.db2.gz QEJCAPVZSWMGEY-OCCSQVGLSA-N 2 2 345.468 3.098 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000430600395 458468937 /nfs/dbraw/zinc/46/89/37/458468937.db2.gz XTBNGIYNERODQA-UHFFFAOYSA-N 2 2 343.515 3.036 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430650173 458475499 /nfs/dbraw/zinc/47/54/99/458475499.db2.gz UIRVIAMKOBCJSB-QGZVFWFLSA-N 2 2 335.536 3.151 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430650173 458475504 /nfs/dbraw/zinc/47/55/04/458475504.db2.gz UIRVIAMKOBCJSB-QGZVFWFLSA-N 2 2 335.536 3.151 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)CCC2 ZINC000373392970 458480807 /nfs/dbraw/zinc/48/08/07/458480807.db2.gz ZISHFQMUKRXRLB-OAHLLOKOSA-N 2 2 339.418 3.184 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437767069 458490433 /nfs/dbraw/zinc/49/04/33/458490433.db2.gz WEZOBPIDJPQYBP-SIIHOXLZSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437767069 458490437 /nfs/dbraw/zinc/49/04/37/458490437.db2.gz WEZOBPIDJPQYBP-SIIHOXLZSA-N 2 2 340.870 3.488 20 0 EGADLP CCC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CC[NH2+]C1 ZINC000430961398 458510833 /nfs/dbraw/zinc/51/08/33/458510833.db2.gz CSSFLUVXKFUNCA-HNNXBMFYSA-N 2 2 334.851 3.006 20 0 EGADLP CCC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CC[NH2+]C1 ZINC000430961398 458510838 /nfs/dbraw/zinc/51/08/38/458510838.db2.gz CSSFLUVXKFUNCA-HNNXBMFYSA-N 2 2 334.851 3.006 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430965919 458511158 /nfs/dbraw/zinc/51/11/58/458511158.db2.gz LWYDSFUICMXFAM-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430965919 458511164 /nfs/dbraw/zinc/51/11/64/458511164.db2.gz LWYDSFUICMXFAM-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430963272 458511360 /nfs/dbraw/zinc/51/13/60/458511360.db2.gz TYDNGUZLMPQEAS-LPHOPBHVSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430963272 458511363 /nfs/dbraw/zinc/51/13/63/458511363.db2.gz TYDNGUZLMPQEAS-LPHOPBHVSA-N 2 2 329.488 3.021 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)ccc2n1C1CC1 ZINC000423933602 458515552 /nfs/dbraw/zinc/51/55/52/458515552.db2.gz SFTILFRIPMVOQK-HXUWFJFHSA-N 2 2 340.471 3.082 20 0 EGADLP CC1CC[NH+]([C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000493630934 458517411 /nfs/dbraw/zinc/51/74/11/458517411.db2.gz NATDAJBVUZGMEV-LKGOPFMKSA-N 2 2 338.455 3.012 20 0 EGADLP Cc1ccccc1C1CC([N@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CC2)C1 ZINC000431072623 458524355 /nfs/dbraw/zinc/52/43/55/458524355.db2.gz FXDTXWNPKYTQFZ-UHFFFAOYSA-N 2 2 340.471 3.482 20 0 EGADLP Cc1ccccc1C1CC([N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C2CC2)C1 ZINC000431072623 458524358 /nfs/dbraw/zinc/52/43/58/458524358.db2.gz FXDTXWNPKYTQFZ-UHFFFAOYSA-N 2 2 340.471 3.482 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)n1 ZINC000431085383 458526494 /nfs/dbraw/zinc/52/64/94/458526494.db2.gz QIBWURZBLQWCOL-IBGZPJMESA-N 2 2 348.450 3.411 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)n1 ZINC000431085383 458526498 /nfs/dbraw/zinc/52/64/98/458526498.db2.gz QIBWURZBLQWCOL-IBGZPJMESA-N 2 2 348.450 3.411 20 0 EGADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)ccc2[nH+]1 ZINC000438135917 458540149 /nfs/dbraw/zinc/54/01/49/458540149.db2.gz YJDPWTMMVLJWHN-QGZVFWFLSA-N 2 2 341.459 3.029 20 0 EGADLP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)ccc2[nH+]1 ZINC000438135917 458540151 /nfs/dbraw/zinc/54/01/51/458540151.db2.gz YJDPWTMMVLJWHN-QGZVFWFLSA-N 2 2 341.459 3.029 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC(F)F ZINC000377827480 458542829 /nfs/dbraw/zinc/54/28/29/458542829.db2.gz XCVDUBLBLXBKPV-CYBMUJFWSA-N 2 2 337.370 3.020 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC(F)F ZINC000377827480 458542834 /nfs/dbraw/zinc/54/28/34/458542834.db2.gz XCVDUBLBLXBKPV-CYBMUJFWSA-N 2 2 337.370 3.020 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000377890773 458565940 /nfs/dbraw/zinc/56/59/40/458565940.db2.gz YRUNZZOUGXWGQY-LLVKDONJSA-N 2 2 327.400 3.458 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000377890773 458565942 /nfs/dbraw/zinc/56/59/42/458565942.db2.gz YRUNZZOUGXWGQY-LLVKDONJSA-N 2 2 327.400 3.458 20 0 EGADLP Cc1cc(CNc2[nH+]c3ccc(F)cc3n2C)cc(N2CCCC2)[nH+]1 ZINC000431421895 458570547 /nfs/dbraw/zinc/57/05/47/458570547.db2.gz YSFSFQOOVIDZBM-UHFFFAOYSA-N 2 2 339.418 3.050 20 0 EGADLP COC(=O)CC1CC([NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000424282165 458602021 /nfs/dbraw/zinc/60/20/21/458602021.db2.gz PBTIKOIOFDABOM-CTWPCTMYSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)CC1CC([NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000424282165 458602025 /nfs/dbraw/zinc/60/20/25/458602025.db2.gz PBTIKOIOFDABOM-CTWPCTMYSA-N 2 2 332.488 3.074 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307525 458611293 /nfs/dbraw/zinc/61/12/93/458611293.db2.gz XQVAKVMXZXRALZ-AZUAARDMSA-N 3 2 347.522 3.312 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307525 458611299 /nfs/dbraw/zinc/61/12/99/458611299.db2.gz XQVAKVMXZXRALZ-AZUAARDMSA-N 3 2 347.522 3.312 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 ZINC000546564684 458637247 /nfs/dbraw/zinc/63/72/47/458637247.db2.gz WOBBHKZXTUPHJW-OAQYLSRUSA-N 2 2 342.483 3.400 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 ZINC000546564684 458637253 /nfs/dbraw/zinc/63/72/53/458637253.db2.gz WOBBHKZXTUPHJW-OAQYLSRUSA-N 2 2 342.483 3.400 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000432420796 458737554 /nfs/dbraw/zinc/73/75/54/458737554.db2.gz MQMMYIFAEFYTNI-UONOGXRCSA-N 2 2 325.522 3.165 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000432420796 458737560 /nfs/dbraw/zinc/73/75/60/458737560.db2.gz MQMMYIFAEFYTNI-UONOGXRCSA-N 2 2 325.522 3.165 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424559 458737871 /nfs/dbraw/zinc/73/78/71/458737871.db2.gz JOTTUTPSABSHOU-CABCVRRESA-N 2 2 337.533 3.173 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424559 458737879 /nfs/dbraw/zinc/73/78/79/458737879.db2.gz JOTTUTPSABSHOU-CABCVRRESA-N 2 2 337.533 3.173 20 0 EGADLP CC(C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829251 458739301 /nfs/dbraw/zinc/73/93/01/458739301.db2.gz ARPFNKKJEHIWCP-QZTJIDSGSA-N 2 2 342.487 3.365 20 0 EGADLP CC(C)c1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829251 458739307 /nfs/dbraw/zinc/73/93/07/458739307.db2.gz ARPFNKKJEHIWCP-QZTJIDSGSA-N 2 2 342.487 3.365 20 0 EGADLP CC(C)c1noc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829252 458739392 /nfs/dbraw/zinc/73/93/92/458739392.db2.gz ARPFNKKJEHIWCP-ROUUACIJSA-N 2 2 342.487 3.365 20 0 EGADLP CC(C)c1noc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829252 458739396 /nfs/dbraw/zinc/73/93/96/458739396.db2.gz ARPFNKKJEHIWCP-ROUUACIJSA-N 2 2 342.487 3.365 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724554 458774599 /nfs/dbraw/zinc/77/45/99/458774599.db2.gz ZRABZAYRWRXLNY-MRVWCRGKSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724554 458774605 /nfs/dbraw/zinc/77/46/05/458774605.db2.gz ZRABZAYRWRXLNY-MRVWCRGKSA-N 2 2 348.434 3.450 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000432729321 458775705 /nfs/dbraw/zinc/77/57/05/458775705.db2.gz QDENSTHMNJSLDG-CQSZACIVSA-N 2 2 329.400 3.484 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000432729321 458775710 /nfs/dbraw/zinc/77/57/10/458775710.db2.gz QDENSTHMNJSLDG-CQSZACIVSA-N 2 2 329.400 3.484 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000432729320 458775860 /nfs/dbraw/zinc/77/58/60/458775860.db2.gz QDENSTHMNJSLDG-AWEZNQCLSA-N 2 2 329.400 3.484 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000432729320 458775863 /nfs/dbraw/zinc/77/58/63/458775863.db2.gz QDENSTHMNJSLDG-AWEZNQCLSA-N 2 2 329.400 3.484 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)[nH]n1 ZINC000440809957 458855342 /nfs/dbraw/zinc/85/53/42/458855342.db2.gz BQPGEGSGBXHBSE-UHFFFAOYSA-N 2 2 349.360 3.006 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC000495603974 458894631 /nfs/dbraw/zinc/89/46/31/458894631.db2.gz QRWKXUKKGMJBCB-AEFFLSMTSA-N 2 2 345.487 3.031 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC000495603974 458894633 /nfs/dbraw/zinc/89/46/33/458894633.db2.gz QRWKXUKKGMJBCB-AEFFLSMTSA-N 2 2 345.487 3.031 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329881 458920078 /nfs/dbraw/zinc/92/00/78/458920078.db2.gz YPSCWSTYXJMITA-YLJYHZDGSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329881 458920080 /nfs/dbraw/zinc/92/00/80/458920080.db2.gz YPSCWSTYXJMITA-YLJYHZDGSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441329881 458920085 /nfs/dbraw/zinc/92/00/85/458920085.db2.gz YPSCWSTYXJMITA-YLJYHZDGSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441329881 458920090 /nfs/dbraw/zinc/92/00/90/458920090.db2.gz YPSCWSTYXJMITA-YLJYHZDGSA-N 2 2 345.531 3.232 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358980 458926359 /nfs/dbraw/zinc/92/63/59/458926359.db2.gz PDKDSWJLRGZIHR-ZWKOTPCHSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358980 458926361 /nfs/dbraw/zinc/92/63/61/458926361.db2.gz PDKDSWJLRGZIHR-ZWKOTPCHSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000441358980 458926365 /nfs/dbraw/zinc/92/63/65/458926365.db2.gz PDKDSWJLRGZIHR-ZWKOTPCHSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000441358980 458926369 /nfs/dbraw/zinc/92/63/69/458926369.db2.gz PDKDSWJLRGZIHR-ZWKOTPCHSA-N 2 2 337.552 3.362 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000466918174 458934237 /nfs/dbraw/zinc/93/42/37/458934237.db2.gz WCUFJJZVUQIAHV-VLCRHTCISA-N 2 2 338.495 3.009 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000466918174 458934242 /nfs/dbraw/zinc/93/42/42/458934242.db2.gz WCUFJJZVUQIAHV-VLCRHTCISA-N 2 2 338.495 3.009 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223738 458938889 /nfs/dbraw/zinc/93/88/89/458938889.db2.gz LEKMOOBCJMGEBR-LBTNJELSSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223738 458938895 /nfs/dbraw/zinc/93/88/95/458938895.db2.gz LEKMOOBCJMGEBR-LBTNJELSSA-N 2 2 328.435 3.145 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000531702937 458964056 /nfs/dbraw/zinc/96/40/56/458964056.db2.gz ULIVZMIXGQSTLI-SCTDSRPQSA-N 2 2 331.504 3.059 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531702937 458964063 /nfs/dbraw/zinc/96/40/63/458964063.db2.gz ULIVZMIXGQSTLI-SCTDSRPQSA-N 2 2 331.504 3.059 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000556953072 459036302 /nfs/dbraw/zinc/03/63/02/459036302.db2.gz SIUVIZTUYAZHED-FQEVSTJZSA-N 2 2 332.451 3.362 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000577484059 459040192 /nfs/dbraw/zinc/04/01/92/459040192.db2.gz DSLZNXIJPJVIOW-MRXNPFEDSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000577484059 459040198 /nfs/dbraw/zinc/04/01/98/459040198.db2.gz DSLZNXIJPJVIOW-MRXNPFEDSA-N 2 2 335.879 3.275 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000557044437 459045322 /nfs/dbraw/zinc/04/53/22/459045322.db2.gz QTIKARKFMIQJMG-INIZCTEOSA-N 2 2 341.459 3.145 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527023 459046953 /nfs/dbraw/zinc/04/69/53/459046953.db2.gz OJGWQVYLKFFVLK-KOLCDFICSA-N 2 2 349.219 3.362 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccccc3Cl)c2cc1C ZINC000567125927 459051166 /nfs/dbraw/zinc/05/11/66/459051166.db2.gz KQSVSOQPEPVGFL-INIZCTEOSA-N 2 2 343.858 3.457 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)n1cc[nH+]c1 ZINC000520589679 459076287 /nfs/dbraw/zinc/07/62/87/459076287.db2.gz COEMUSOMBFVWGW-INIZCTEOSA-N 2 2 326.444 3.111 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557518592 459079718 /nfs/dbraw/zinc/07/97/18/459079718.db2.gz DGCNXNAUTSCSGM-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496137228 459082485 /nfs/dbraw/zinc/08/24/85/459082485.db2.gz ASJWHELZKTXEII-SFHVURJKSA-N 2 2 347.503 3.361 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496137228 459082490 /nfs/dbraw/zinc/08/24/90/459082490.db2.gz ASJWHELZKTXEII-SFHVURJKSA-N 2 2 347.503 3.361 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000567337475 459087580 /nfs/dbraw/zinc/08/75/80/459087580.db2.gz XXLFTPOFSBOTSO-XYPHTWIQSA-N 2 2 341.459 3.012 20 0 EGADLP CC[N@H+](CCCNC(=O)N1CCC[NH+](C(C)C)CC1)c1ccccc1 ZINC000590150001 459092364 /nfs/dbraw/zinc/09/23/64/459092364.db2.gz QKISNKVCPYLQLL-UHFFFAOYSA-N 2 2 346.519 3.029 20 0 EGADLP CC[N@@H+](CCCNC(=O)N1CCC[NH+](C(C)C)CC1)c1ccccc1 ZINC000590150001 459092368 /nfs/dbraw/zinc/09/23/68/459092368.db2.gz QKISNKVCPYLQLL-UHFFFAOYSA-N 2 2 346.519 3.029 20 0 EGADLP CC[NH+](CCCNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC000590150001 459092373 /nfs/dbraw/zinc/09/23/73/459092373.db2.gz QKISNKVCPYLQLL-UHFFFAOYSA-N 2 2 346.519 3.029 20 0 EGADLP CC[NH+](CCCNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000590150001 459092380 /nfs/dbraw/zinc/09/23/80/459092380.db2.gz QKISNKVCPYLQLL-UHFFFAOYSA-N 2 2 346.519 3.029 20 0 EGADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Cl)o2)c2cccs2)CC1 ZINC000521332911 459141010 /nfs/dbraw/zinc/14/10/10/459141010.db2.gz SWBLHTFBHYSRHC-CQSZACIVSA-N 2 2 339.892 3.073 20 0 EGADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123006 459193606 /nfs/dbraw/zinc/19/36/06/459193606.db2.gz ARZOPODJKQDGBR-HKUYNNGSSA-N 2 2 333.439 3.124 20 0 EGADLP CC(C)(O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737410 459206888 /nfs/dbraw/zinc/20/68/88/459206888.db2.gz FDVSHMLCQJTSSI-LEWJYISDSA-N 2 2 338.495 3.405 20 0 EGADLP CC(C)(O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558737410 459206893 /nfs/dbraw/zinc/20/68/93/459206893.db2.gz FDVSHMLCQJTSSI-LEWJYISDSA-N 2 2 338.495 3.405 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310649 459218918 /nfs/dbraw/zinc/21/89/18/459218918.db2.gz RUDPDWQEEWPLIT-GOSISDBHSA-N 2 2 336.483 3.307 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310649 459218924 /nfs/dbraw/zinc/21/89/24/459218924.db2.gz RUDPDWQEEWPLIT-GOSISDBHSA-N 2 2 336.483 3.307 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310649 459218931 /nfs/dbraw/zinc/21/89/31/459218931.db2.gz RUDPDWQEEWPLIT-GOSISDBHSA-N 2 2 336.483 3.307 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533310649 459218939 /nfs/dbraw/zinc/21/89/39/459218939.db2.gz RUDPDWQEEWPLIT-GOSISDBHSA-N 2 2 336.483 3.307 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000533408816 459232102 /nfs/dbraw/zinc/23/21/02/459232102.db2.gz JZVXKDACVHLCLM-UHFFFAOYSA-N 2 2 337.895 3.331 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000533408816 459232109 /nfs/dbraw/zinc/23/21/09/459232109.db2.gz JZVXKDACVHLCLM-UHFFFAOYSA-N 2 2 337.895 3.331 20 0 EGADLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccccc1I ZINC000581937729 459279595 /nfs/dbraw/zinc/27/95/95/459279595.db2.gz IGMUCYYWHFUSSY-LBPRGKRZSA-N 2 2 346.256 3.330 20 0 EGADLP C[C@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000496679381 459283552 /nfs/dbraw/zinc/28/35/52/459283552.db2.gz RYBDPCFHGCNVBY-JKSUJKDBSA-N 2 2 336.480 3.023 20 0 EGADLP C[C@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000496679381 459283562 /nfs/dbraw/zinc/28/35/62/459283562.db2.gz RYBDPCFHGCNVBY-JKSUJKDBSA-N 2 2 336.480 3.023 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n2c1 ZINC000496821779 459336587 /nfs/dbraw/zinc/33/65/87/459336587.db2.gz SDSAJNHIMZQTEV-ZIAGYGMSSA-N 2 2 332.448 3.034 20 0 EGADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000560404998 459339650 /nfs/dbraw/zinc/33/96/50/459339650.db2.gz KIINMOIWVRBXNQ-UONOGXRCSA-N 2 2 325.294 3.484 20 0 EGADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000560404998 459339643 /nfs/dbraw/zinc/33/96/43/459339643.db2.gz KIINMOIWVRBXNQ-UONOGXRCSA-N 2 2 325.294 3.484 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000568918008 459365070 /nfs/dbraw/zinc/36/50/70/459365070.db2.gz OVOOGXQZODRNNV-MRXNPFEDSA-N 2 2 349.438 3.464 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCCc4occc43)c2cc1C ZINC000568954214 459370636 /nfs/dbraw/zinc/37/06/36/459370636.db2.gz BNGSRURGZBMIOW-NVXWUHKLSA-N 2 2 339.439 3.274 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCOc3cccc(Cl)c3)CC2)c1 ZINC000483538385 459374239 /nfs/dbraw/zinc/37/42/39/459374239.db2.gz MDWKZAYIRQOFSW-UHFFFAOYSA-N 2 2 331.847 3.244 20 0 EGADLP COCC[NH2+]C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000582551135 459384264 /nfs/dbraw/zinc/38/42/64/459384264.db2.gz ODDBBYHIFQUEKP-UHFFFAOYSA-N 2 2 334.504 3.063 20 0 EGADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)Cn1c2ccccc2c2ccccc21 ZINC000560725619 459390816 /nfs/dbraw/zinc/39/08/16/459390816.db2.gz BFHUAWHDUQYMCL-KRWDZBQOSA-N 2 2 348.450 3.032 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569135816 459403115 /nfs/dbraw/zinc/40/31/15/459403115.db2.gz KJOYLIZHGYRLMR-TZMCWYRMSA-N 2 2 342.424 3.407 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569135816 459403123 /nfs/dbraw/zinc/40/31/23/459403123.db2.gz KJOYLIZHGYRLMR-TZMCWYRMSA-N 2 2 342.424 3.407 20 0 EGADLP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)C1 ZINC000497034349 459413296 /nfs/dbraw/zinc/41/32/96/459413296.db2.gz IEGWDRJGKFPLNU-MVBPIPQGSA-N 2 2 330.520 3.360 20 0 EGADLP CC(C)C1CC([NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)C1 ZINC000497034349 459413299 /nfs/dbraw/zinc/41/32/99/459413299.db2.gz IEGWDRJGKFPLNU-MVBPIPQGSA-N 2 2 330.520 3.360 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)c[nH+]1 ZINC000591867269 459457998 /nfs/dbraw/zinc/45/79/98/459457998.db2.gz NQVCSGPJOLUTTJ-OAHLLOKOSA-N 2 2 325.441 3.239 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)c[nH+]1 ZINC000591867269 459458004 /nfs/dbraw/zinc/45/80/04/459458004.db2.gz NQVCSGPJOLUTTJ-OAHLLOKOSA-N 2 2 325.441 3.239 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000569587869 459476553 /nfs/dbraw/zinc/47/65/53/459476553.db2.gz BDSYTIOXLCTDIY-INIZCTEOSA-N 2 2 349.276 3.347 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000569587869 459476558 /nfs/dbraw/zinc/47/65/58/459476558.db2.gz BDSYTIOXLCTDIY-INIZCTEOSA-N 2 2 349.276 3.347 20 0 EGADLP [NH3+]C[C@@H]1CN(c2ccc3c(Cl)c4c([nH+]c3c2)CCCC4)CCCO1 ZINC000583134975 459488504 /nfs/dbraw/zinc/48/85/04/459488504.db2.gz FTSXDTSONYTLPT-CQSZACIVSA-N 2 2 345.874 3.321 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c2ccccc2n1 ZINC000583151685 459492849 /nfs/dbraw/zinc/49/28/49/459492849.db2.gz IFGYMOMVDDUXIV-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c2ccccc2n1 ZINC000583151685 459492853 /nfs/dbraw/zinc/49/28/53/459492853.db2.gz IFGYMOMVDDUXIV-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280744 459543655 /nfs/dbraw/zinc/54/36/55/459543655.db2.gz POQVLVSLYIWNGO-UYAOXDASSA-N 2 2 347.934 3.429 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280744 459543662 /nfs/dbraw/zinc/54/36/62/459543662.db2.gz POQVLVSLYIWNGO-UYAOXDASSA-N 2 2 347.934 3.429 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cn1 ZINC000526992685 459572911 /nfs/dbraw/zinc/57/29/11/459572911.db2.gz NOVYOOKLWPXOHK-GFCCVEGCSA-N 2 2 338.293 3.369 20 0 EGADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000572933865 459597594 /nfs/dbraw/zinc/59/75/94/459597594.db2.gz NYYICICNAAGUFN-INIZCTEOSA-N 2 2 340.427 3.432 20 0 EGADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000572933865 459597602 /nfs/dbraw/zinc/59/76/02/459597602.db2.gz NYYICICNAAGUFN-INIZCTEOSA-N 2 2 340.427 3.432 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCc4ccccc4C3)c2cc1C ZINC000498924589 459611924 /nfs/dbraw/zinc/61/19/24/459611924.db2.gz VQLREBITDLYXAE-FQEVSTJZSA-N 2 2 349.478 3.462 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCc4ccccc4C3)c2cc1C ZINC000498924589 459611929 /nfs/dbraw/zinc/61/19/29/459611929.db2.gz VQLREBITDLYXAE-FQEVSTJZSA-N 2 2 349.478 3.462 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573357920 459663839 /nfs/dbraw/zinc/66/38/39/459663839.db2.gz DLNGQNIZATYTFJ-RHSMWYFYSA-N 2 2 340.870 3.367 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573357920 459663843 /nfs/dbraw/zinc/66/38/43/459663843.db2.gz DLNGQNIZATYTFJ-RHSMWYFYSA-N 2 2 340.870 3.367 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ncc(Br)cc1F ZINC000527633401 459678697 /nfs/dbraw/zinc/67/86/97/459678697.db2.gz ZBAZGBVWTSAUSP-LBPRGKRZSA-N 2 2 344.272 3.337 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ncc(Br)cc1F ZINC000527633401 459678702 /nfs/dbraw/zinc/67/87/02/459678702.db2.gz ZBAZGBVWTSAUSP-LBPRGKRZSA-N 2 2 344.272 3.337 20 0 EGADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1Cl ZINC000527663259 459689714 /nfs/dbraw/zinc/68/97/14/459689714.db2.gz XNSBFZDIEVGRBK-LBPRGKRZSA-N 2 2 344.833 3.209 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676422 459715791 /nfs/dbraw/zinc/71/57/91/459715791.db2.gz JXZARNZRYRGLIS-VQTJNVASSA-N 2 2 344.886 3.474 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676422 459715797 /nfs/dbraw/zinc/71/57/97/459715797.db2.gz JXZARNZRYRGLIS-VQTJNVASSA-N 2 2 344.886 3.474 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544347644 459750896 /nfs/dbraw/zinc/75/08/96/459750896.db2.gz OUWKAOVHCBFMAL-STZQEDGTSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544347644 459750905 /nfs/dbraw/zinc/75/09/05/459750905.db2.gz OUWKAOVHCBFMAL-STZQEDGTSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2[nH+]ccn21 ZINC000584573525 459769979 /nfs/dbraw/zinc/76/99/79/459769979.db2.gz DZTYXSPYXIAKJA-CSMYWGQOSA-N 2 2 339.443 3.260 20 0 EGADLP COc1ccc[nH+]c1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000527920700 459772936 /nfs/dbraw/zinc/77/29/36/459772936.db2.gz XJDGPQDPIISVBB-UHFFFAOYSA-N 2 2 345.418 3.185 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2Cc3ccccc3NC2=O)CC1 ZINC000527998527 459791317 /nfs/dbraw/zinc/79/13/17/459791317.db2.gz IPRYELDGRQKSBW-UIAACRFSSA-N 2 2 341.499 3.183 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000584796287 459804144 /nfs/dbraw/zinc/80/41/44/459804144.db2.gz LZUTVVXTGZALJY-SUMWQHHRSA-N 2 2 328.472 3.313 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410188 459816307 /nfs/dbraw/zinc/81/63/07/459816307.db2.gz BKYKEOUSYCNVCY-PBHICJAKSA-N 2 2 347.528 3.390 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410188 459816311 /nfs/dbraw/zinc/81/63/11/459816311.db2.gz BKYKEOUSYCNVCY-PBHICJAKSA-N 2 2 347.528 3.390 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000574430574 459818097 /nfs/dbraw/zinc/81/80/97/459818097.db2.gz RYMSORYBNXIPKY-GOEBONIOSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000574430574 459818098 /nfs/dbraw/zinc/81/80/98/459818098.db2.gz RYMSORYBNXIPKY-GOEBONIOSA-N 2 2 346.862 3.354 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000545912603 459870556 /nfs/dbraw/zinc/87/05/56/459870556.db2.gz DDNSJVOHUYDNQB-BHIYHBOVSA-N 2 2 338.536 3.454 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CSc3ccc(Br)cc32)n1C ZINC000575073270 459922183 /nfs/dbraw/zinc/92/21/83/459922183.db2.gz XMUAFDWOEHVUPI-ZDUSSCGKSA-N 2 2 338.274 3.428 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)n1C ZINC000575196300 459946737 /nfs/dbraw/zinc/94/67/37/459946737.db2.gz IFDMBXMHMMCUTG-UHFFFAOYSA-N 2 2 341.455 3.449 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)o1 ZINC000618413903 460003262 /nfs/dbraw/zinc/00/32/62/460003262.db2.gz NGLFSFOCPBPAOQ-UHFFFAOYSA-N 2 2 340.427 3.008 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000593909152 460015961 /nfs/dbraw/zinc/01/59/61/460015961.db2.gz HEMDMAMIPKZDNS-QGZVFWFLSA-N 2 2 335.517 3.080 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625251077 460089723 /nfs/dbraw/zinc/08/97/23/460089723.db2.gz BXYWBGALNOGNFQ-GFCCVEGCSA-N 2 2 326.375 3.092 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625251077 460089730 /nfs/dbraw/zinc/08/97/30/460089730.db2.gz BXYWBGALNOGNFQ-GFCCVEGCSA-N 2 2 326.375 3.092 20 0 EGADLP CC[C@@H](C[NH2+]Cc1[nH]nc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000589638982 460117079 /nfs/dbraw/zinc/11/70/79/460117079.db2.gz KLIHZZUNIWSMML-SFHVURJKSA-N 2 2 334.467 3.489 20 0 EGADLP CC[C@@H](C[NH2+]Cc1[nH]nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000589638982 460117082 /nfs/dbraw/zinc/11/70/82/460117082.db2.gz KLIHZZUNIWSMML-SFHVURJKSA-N 2 2 334.467 3.489 20 0 EGADLP C[C@@H](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)n1cc[nH+]c1 ZINC000576588189 460174435 /nfs/dbraw/zinc/17/44/35/460174435.db2.gz MGQQXMDAFBQTPF-AWEZNQCLSA-N 2 2 347.488 3.161 20 0 EGADLP O=C1C[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)Oc2ccccc21 ZINC000625803089 460270731 /nfs/dbraw/zinc/27/07/31/460270731.db2.gz NOTHAVZYOOGJEI-NRFANRHFSA-N 2 2 342.483 3.362 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)ccc2n1C ZINC000625911325 460300535 /nfs/dbraw/zinc/30/05/35/460300535.db2.gz HMENWSWRJSDKEA-MSOLQXFVSA-N 2 2 348.450 3.166 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)ccc2n1C ZINC000625911325 460300538 /nfs/dbraw/zinc/30/05/38/460300538.db2.gz HMENWSWRJSDKEA-MSOLQXFVSA-N 2 2 348.450 3.166 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000603821894 460344323 /nfs/dbraw/zinc/34/43/23/460344323.db2.gz JSKCZALTRHNDHS-UHFFFAOYSA-N 2 2 342.487 3.279 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000603821894 460344326 /nfs/dbraw/zinc/34/43/26/460344326.db2.gz JSKCZALTRHNDHS-UHFFFAOYSA-N 2 2 342.487 3.279 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628393627 460397620 /nfs/dbraw/zinc/39/76/20/460397620.db2.gz KMEPOHAVPMSRBD-AWEZNQCLSA-N 2 2 334.414 3.144 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628393627 460397624 /nfs/dbraw/zinc/39/76/24/460397624.db2.gz KMEPOHAVPMSRBD-AWEZNQCLSA-N 2 2 334.414 3.144 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CC(F)F)CC1)CC2 ZINC000623089572 460408012 /nfs/dbraw/zinc/40/80/12/460408012.db2.gz MTNJZXTTXFJPEP-QGZVFWFLSA-N 2 2 338.442 3.119 20 0 EGADLP Cn1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(-c2ccccc2)n1 ZINC000623089645 460408326 /nfs/dbraw/zinc/40/83/26/460408326.db2.gz QPBBBXKMFBMFIY-UHFFFAOYSA-N 2 2 348.441 3.154 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(c4ccccc4)C3)c2cc1C ZINC000634651247 460459065 /nfs/dbraw/zinc/45/90/65/460459065.db2.gz JSEBRCRCXNQBFV-LJQANCHMSA-N 2 2 335.451 3.113 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000634680560 460473653 /nfs/dbraw/zinc/47/36/53/460473653.db2.gz VXKVUPIFUWUADF-MJGOQNOKSA-N 2 2 346.515 3.434 20 0 EGADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623418192 460538699 /nfs/dbraw/zinc/53/86/99/460538699.db2.gz GUEMTBBEYYHGMH-AWEZNQCLSA-N 2 2 348.434 3.500 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3scnc32)[C@@H](C)C1 ZINC000623894840 460766323 /nfs/dbraw/zinc/76/63/23/460766323.db2.gz CDQQMFCZDAWCNF-HRCADAONSA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3scnc32)[C@@H](C)C1 ZINC000623894840 460766329 /nfs/dbraw/zinc/76/63/29/460766329.db2.gz CDQQMFCZDAWCNF-HRCADAONSA-N 2 2 337.533 3.247 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629565171 460811462 /nfs/dbraw/zinc/81/14/62/460811462.db2.gz VQCXMQBNZRHQQM-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629565171 460811458 /nfs/dbraw/zinc/81/14/58/460811458.db2.gz VQCXMQBNZRHQQM-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567674 460812786 /nfs/dbraw/zinc/81/27/86/460812786.db2.gz PVJRFABWTKEBFB-NWDGAFQWSA-N 2 2 336.785 3.178 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567674 460812789 /nfs/dbraw/zinc/81/27/89/460812789.db2.gz PVJRFABWTKEBFB-NWDGAFQWSA-N 2 2 336.785 3.178 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000624018925 460823314 /nfs/dbraw/zinc/82/33/14/460823314.db2.gz AUCFHCPZZSYLIR-CVEARBPZSA-N 2 2 331.460 3.495 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c2ccccc21 ZINC000629653216 460847615 /nfs/dbraw/zinc/84/76/15/460847615.db2.gz CZKTVFTYRZTDIA-OCCSQVGLSA-N 2 2 340.393 3.015 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c2ccccc21 ZINC000629653216 460847618 /nfs/dbraw/zinc/84/76/18/460847618.db2.gz CZKTVFTYRZTDIA-OCCSQVGLSA-N 2 2 340.393 3.015 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1OCC(F)(F)F ZINC000629660413 460854117 /nfs/dbraw/zinc/85/41/17/460854117.db2.gz TYKAQEJICBCXMS-TZMCWYRMSA-N 2 2 346.393 3.257 20 0 EGADLP OCCCCNc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)c[nH+]1 ZINC000629696830 460870222 /nfs/dbraw/zinc/87/02/22/460870222.db2.gz JZPXBKSFAXSMCA-UHFFFAOYSA-N 2 2 339.483 3.341 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702952 460874948 /nfs/dbraw/zinc/87/49/48/460874948.db2.gz XSMMWGAXFSNBTA-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702952 460874953 /nfs/dbraw/zinc/87/49/53/460874953.db2.gz XSMMWGAXFSNBTA-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621344588 460999579 /nfs/dbraw/zinc/99/95/79/460999579.db2.gz MFRFDCPHERUABP-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621344588 460999586 /nfs/dbraw/zinc/99/95/86/460999586.db2.gz MFRFDCPHERUABP-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc(F)c1F ZINC000628161602 461025812 /nfs/dbraw/zinc/02/58/12/461025812.db2.gz JSMUPMADZVOOEG-AWEZNQCLSA-N 2 2 346.425 3.360 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)ccc(F)c1F ZINC000628161602 461025816 /nfs/dbraw/zinc/02/58/16/461025816.db2.gz JSMUPMADZVOOEG-AWEZNQCLSA-N 2 2 346.425 3.360 20 0 EGADLP CC[N@@H+](Cc1nc(C)c(C)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000628181354 461035240 /nfs/dbraw/zinc/03/52/40/461035240.db2.gz AJDROOWVGOBXTL-UHFFFAOYSA-N 2 2 327.476 3.160 20 0 EGADLP CC[N@H+](Cc1nc(C)c(C)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000628181354 461035245 /nfs/dbraw/zinc/03/52/45/461035245.db2.gz AJDROOWVGOBXTL-UHFFFAOYSA-N 2 2 327.476 3.160 20 0 EGADLP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242596 461059918 /nfs/dbraw/zinc/05/99/18/461059918.db2.gz LCFVIXKPMQFXMH-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242596 461059924 /nfs/dbraw/zinc/05/99/24/461059924.db2.gz LCFVIXKPMQFXMH-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2cc[nH]c2c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628242596 461059932 /nfs/dbraw/zinc/05/99/32/461059932.db2.gz LCFVIXKPMQFXMH-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2cc[nH]c2c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000628242596 461059937 /nfs/dbraw/zinc/05/99/37/461059937.db2.gz LCFVIXKPMQFXMH-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242482 461060364 /nfs/dbraw/zinc/06/03/64/461060364.db2.gz HJUKNOIDCMPDDE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242482 461060367 /nfs/dbraw/zinc/06/03/67/461060367.db2.gz HJUKNOIDCMPDDE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2[nH]ccc2c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628242482 461060371 /nfs/dbraw/zinc/06/03/71/461060371.db2.gz HJUKNOIDCMPDDE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2[nH]ccc2c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000628242482 461060374 /nfs/dbraw/zinc/06/03/74/461060374.db2.gz HJUKNOIDCMPDDE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc(F)c1F ZINC000628253881 461063776 /nfs/dbraw/zinc/06/37/76/461063776.db2.gz BGOYLTZOPBTLGA-OAHLLOKOSA-N 2 2 333.382 3.079 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc(F)c1F ZINC000628253881 461063780 /nfs/dbraw/zinc/06/37/80/461063780.db2.gz BGOYLTZOPBTLGA-OAHLLOKOSA-N 2 2 333.382 3.079 20 0 EGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc21 ZINC000668109944 461110706 /nfs/dbraw/zinc/11/07/06/461110706.db2.gz RNOQKGRNLMXWGZ-QGZVFWFLSA-N 2 2 327.472 3.021 20 0 EGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc21 ZINC000668109944 461110716 /nfs/dbraw/zinc/11/07/16/461110716.db2.gz RNOQKGRNLMXWGZ-QGZVFWFLSA-N 2 2 327.472 3.021 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000652352306 461146257 /nfs/dbraw/zinc/14/62/57/461146257.db2.gz AIPFAWMQXUTCIL-ZBEGNZNMSA-N 2 2 339.270 3.202 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cn3cc(Cl)cc(Cl)c3n1)C2 ZINC000652352306 461146264 /nfs/dbraw/zinc/14/62/64/461146264.db2.gz AIPFAWMQXUTCIL-ZBEGNZNMSA-N 2 2 339.270 3.202 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCCC[NH+]3CCCC3)cc2[nH+]1 ZINC000668164983 461149446 /nfs/dbraw/zinc/14/94/46/461149446.db2.gz ILGPCNJEVKMGHH-UHFFFAOYSA-N 2 2 329.448 3.030 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364008 461158381 /nfs/dbraw/zinc/15/83/81/461158381.db2.gz UXFYVVBAYVTBLK-DAXOMENPSA-N 2 2 344.286 3.249 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364008 461158391 /nfs/dbraw/zinc/15/83/91/461158391.db2.gz UXFYVVBAYVTBLK-DAXOMENPSA-N 2 2 344.286 3.249 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)on2)cc1 ZINC000662275891 461159876 /nfs/dbraw/zinc/15/98/76/461159876.db2.gz COACWYNVNYBABZ-IBGZPJMESA-N 2 2 329.444 3.347 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000662276676 461161087 /nfs/dbraw/zinc/16/10/87/461161087.db2.gz OHAFTAKMZAUMNO-WFASDCNBSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000662276676 461161093 /nfs/dbraw/zinc/16/10/93/461161093.db2.gz OHAFTAKMZAUMNO-WFASDCNBSA-N 2 2 328.378 3.391 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603455 461211007 /nfs/dbraw/zinc/21/10/07/461211007.db2.gz NOXIVOKHDHCMBD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603455 461211016 /nfs/dbraw/zinc/21/10/16/461211016.db2.gz NOXIVOKHDHCMBD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603455 461211020 /nfs/dbraw/zinc/21/10/20/461211020.db2.gz NOXIVOKHDHCMBD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603455 461211026 /nfs/dbraw/zinc/21/10/26/461211026.db2.gz NOXIVOKHDHCMBD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603271 461212052 /nfs/dbraw/zinc/21/20/52/461212052.db2.gz DIMHHNFHCGIKSL-MRXNPFEDSA-N 2 2 344.528 3.153 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603271 461212062 /nfs/dbraw/zinc/21/20/62/461212062.db2.gz DIMHHNFHCGIKSL-MRXNPFEDSA-N 2 2 344.528 3.153 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603271 461212071 /nfs/dbraw/zinc/21/20/71/461212071.db2.gz DIMHHNFHCGIKSL-MRXNPFEDSA-N 2 2 344.528 3.153 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603271 461212079 /nfs/dbraw/zinc/21/20/79/461212079.db2.gz DIMHHNFHCGIKSL-MRXNPFEDSA-N 2 2 344.528 3.153 20 0 EGADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614710 461221794 /nfs/dbraw/zinc/22/17/94/461221794.db2.gz ZAYDNHHRQWWVDY-HZPDHXFCSA-N 2 2 342.443 3.193 20 0 EGADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614710 461221801 /nfs/dbraw/zinc/22/18/01/461221801.db2.gz ZAYDNHHRQWWVDY-HZPDHXFCSA-N 2 2 342.443 3.193 20 0 EGADLP CC(C)O[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000649703582 461290367 /nfs/dbraw/zinc/29/03/67/461290367.db2.gz GXIWXSBODGWGRS-NRFANRHFSA-N 2 2 345.531 3.088 20 0 EGADLP CC(C)O[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000649703582 461290373 /nfs/dbraw/zinc/29/03/73/461290373.db2.gz GXIWXSBODGWGRS-NRFANRHFSA-N 2 2 345.531 3.088 20 0 EGADLP CSc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)o1 ZINC000641703537 461328026 /nfs/dbraw/zinc/32/80/26/461328026.db2.gz VPSWSBIDUIYEAN-UHFFFAOYSA-N 2 2 332.469 3.124 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@]12CCCO2 ZINC000638298796 461353912 /nfs/dbraw/zinc/35/39/12/461353912.db2.gz SOTARMVWLGBDPE-VAMGGRTRSA-N 2 2 343.471 3.051 20 0 EGADLP COc1cccc([C@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)c1 ZINC000638316049 461362552 /nfs/dbraw/zinc/36/25/52/461362552.db2.gz LDISCVGWAOVYAX-FQEVSTJZSA-N 2 2 332.488 3.238 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]CCC1CCOCC1)c1cccc(OC)c1 ZINC000638314644 461362832 /nfs/dbraw/zinc/36/28/32/461362832.db2.gz DMUJGQJTYFMENP-FQEVSTJZSA-N 2 2 334.504 3.484 20 0 EGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668636341 461366084 /nfs/dbraw/zinc/36/60/84/461366084.db2.gz FPJMOEQWUTUHSC-SFHVURJKSA-N 2 2 334.423 3.152 20 0 EGADLP CCOc1ccccc1[C@@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655705115 461375862 /nfs/dbraw/zinc/37/58/62/461375862.db2.gz WETLTQHWAXZVLF-PKOBYXMFSA-N 2 2 332.488 3.379 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000655708910 461380988 /nfs/dbraw/zinc/38/09/88/461380988.db2.gz PPEYFLAHDXWTRS-NHCUHLMSSA-N 2 2 337.467 3.014 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000655715256 461385599 /nfs/dbraw/zinc/38/55/99/461385599.db2.gz IDBRJBMPNYFVQB-HLLBOEOZSA-N 2 2 330.501 3.452 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000655715256 461385607 /nfs/dbraw/zinc/38/56/07/461385607.db2.gz IDBRJBMPNYFVQB-HLLBOEOZSA-N 2 2 330.501 3.452 20 0 EGADLP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655722432 461390693 /nfs/dbraw/zinc/39/06/93/461390693.db2.gz AVEYPGTYJQIIEY-IEBWSBKVSA-N 2 2 342.483 3.276 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1Cl ZINC000655729529 461397413 /nfs/dbraw/zinc/39/74/13/461397413.db2.gz BQNPKEBBHJBTCD-OCCSQVGLSA-N 2 2 326.843 3.383 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(F)cc2O1 ZINC000655733163 461401545 /nfs/dbraw/zinc/40/15/45/461401545.db2.gz JQBUYNVOJSINNH-FUHWJXTLSA-N 2 2 348.462 3.271 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@@H]3CCCn4cc[nH+]c43)c(C)c2)CC1 ZINC000655737834 461406207 /nfs/dbraw/zinc/40/62/07/461406207.db2.gz DUWNUXIZOBSHTR-LJQANCHMSA-N 2 2 339.487 3.280 20 0 EGADLP Cc1cc2cc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)oc2cc1C ZINC000668741581 461409144 /nfs/dbraw/zinc/40/91/44/461409144.db2.gz VDQDHWXADOQNRO-SFHVURJKSA-N 2 2 328.456 3.081 20 0 EGADLP Cc1cc2cc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)oc2cc1C ZINC000668741581 461409152 /nfs/dbraw/zinc/40/91/52/461409152.db2.gz VDQDHWXADOQNRO-SFHVURJKSA-N 2 2 328.456 3.081 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655744041 461410467 /nfs/dbraw/zinc/41/04/67/461410467.db2.gz NSKJPOFDHUVJAK-CJNGLKHVSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655744041 461410475 /nfs/dbraw/zinc/41/04/75/461410475.db2.gz NSKJPOFDHUVJAK-CJNGLKHVSA-N 2 2 332.879 3.406 20 0 EGADLP Fc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1-n1cc[nH+]c1 ZINC000655751037 461416595 /nfs/dbraw/zinc/41/65/95/461416595.db2.gz XOQFMPNVUGTIDK-KRWDZBQOSA-N 2 2 344.434 3.067 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1nc2ccccc2[nH]1 ZINC000638440525 461427437 /nfs/dbraw/zinc/42/74/37/461427437.db2.gz AJPBRFDFSOJBFJ-SFHVURJKSA-N 2 2 344.503 3.085 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000655762253 461429702 /nfs/dbraw/zinc/42/97/02/461429702.db2.gz VCVJPGFRPRGCQD-HNNXBMFYSA-N 2 2 341.846 3.135 20 0 EGADLP Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(F)c1 ZINC000630953325 461434166 /nfs/dbraw/zinc/43/41/66/461434166.db2.gz YDVYXMMHQQEEPA-UHFFFAOYSA-N 2 2 342.462 3.094 20 0 EGADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521583 461466871 /nfs/dbraw/zinc/46/68/71/461466871.db2.gz BYGAQHSJMQFDQZ-PMACEKPBSA-N 2 2 338.536 3.062 20 0 EGADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521583 461466879 /nfs/dbraw/zinc/46/68/79/461466879.db2.gz BYGAQHSJMQFDQZ-PMACEKPBSA-N 2 2 338.536 3.062 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)n2n1 ZINC000655848338 461495766 /nfs/dbraw/zinc/49/57/66/461495766.db2.gz FBFNHZYZFJOLLO-BMGDILEWSA-N 2 2 327.476 3.014 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)c(C)n2n1 ZINC000655848338 461495779 /nfs/dbraw/zinc/49/57/79/461495779.db2.gz FBFNHZYZFJOLLO-BMGDILEWSA-N 2 2 327.476 3.014 20 0 EGADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OCC1CCCCC1 ZINC000653094748 461497882 /nfs/dbraw/zinc/49/78/82/461497882.db2.gz OXUHQPUCVMVPET-GOSISDBHSA-N 2 2 347.503 3.172 20 0 EGADLP CO[C@H](C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000638601717 461499802 /nfs/dbraw/zinc/49/98/02/461499802.db2.gz OMRVCZWXQPDNSM-QFBILLFUSA-N 2 2 334.504 3.147 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Cl)c1OC ZINC000655857867 461507229 /nfs/dbraw/zinc/50/72/29/461507229.db2.gz XGYGNKRLFAKPOS-CVEARBPZSA-N 2 2 338.879 3.464 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Cl)c1OC ZINC000655857867 461507233 /nfs/dbraw/zinc/50/72/33/461507233.db2.gz XGYGNKRLFAKPOS-CVEARBPZSA-N 2 2 338.879 3.464 20 0 EGADLP Fc1ccc(OC(F)F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000659999011 461536314 /nfs/dbraw/zinc/53/63/14/461536314.db2.gz LVRLRFUQUSOZSQ-UHFFFAOYSA-N 2 2 325.334 3.461 20 0 EGADLP COc1ccccc1[C@H](CNc1cc(CO)cc(C)[nH+]1)[NH+]1CCCC1 ZINC000663334052 461565803 /nfs/dbraw/zinc/56/58/03/461565803.db2.gz ZFXWMAGHELSJRP-SFHVURJKSA-N 2 2 341.455 3.140 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NCc1ccccc1C[NH+]1CCOCC1 ZINC000663349040 461579840 /nfs/dbraw/zinc/57/98/40/461579840.db2.gz BTYRHLPFFQHYHQ-UHFFFAOYSA-N 2 2 348.450 3.261 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)N(C)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000663360689 461590022 /nfs/dbraw/zinc/59/00/22/461590022.db2.gz NYPGHLHZONDFMU-SFHVURJKSA-N 2 2 339.483 3.150 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)N(C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000663360689 461590030 /nfs/dbraw/zinc/59/00/30/461590030.db2.gz NYPGHLHZONDFMU-SFHVURJKSA-N 2 2 339.483 3.150 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638811981 461593308 /nfs/dbraw/zinc/59/33/08/461593308.db2.gz PBJHFCJDRAAFBL-YSIASYRMSA-N 2 2 343.515 3.105 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638811981 461593314 /nfs/dbraw/zinc/59/33/14/461593314.db2.gz PBJHFCJDRAAFBL-YSIASYRMSA-N 2 2 343.515 3.105 20 0 EGADLP Brc1cccc2c(N3CC[C@H]4CC[NH2+][C@H]4C3)cc[nH+]c12 ZINC000643034227 461594706 /nfs/dbraw/zinc/59/47/06/461594706.db2.gz VSALZVNMCNXEPH-RISCZKNCSA-N 2 2 332.245 3.186 20 0 EGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC000643044952 461596858 /nfs/dbraw/zinc/59/68/58/461596858.db2.gz ZYXDDYXIHBKLDZ-GJZGRUSLSA-N 2 2 335.455 3.327 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069077 461603082 /nfs/dbraw/zinc/60/30/82/461603082.db2.gz OAXFQXSEVJPCOX-XHDPSFHLSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069077 461603095 /nfs/dbraw/zinc/60/30/95/461603095.db2.gz OAXFQXSEVJPCOX-XHDPSFHLSA-N 2 2 342.270 3.006 20 0 EGADLP C[NH+]1CCC(n2cc(NCc3cc(-n4cc[nH+]c4)cs3)cn2)CC1 ZINC000631225609 461656492 /nfs/dbraw/zinc/65/64/92/461656492.db2.gz MXRRVSNOUWEZFS-UHFFFAOYSA-N 2 2 342.472 3.009 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000656248255 461670756 /nfs/dbraw/zinc/67/07/56/461670756.db2.gz ODFITVPMMIGFGR-UHFFFAOYSA-N 2 2 330.451 3.236 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000656248255 461670757 /nfs/dbraw/zinc/67/07/57/461670757.db2.gz ODFITVPMMIGFGR-UHFFFAOYSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000656256383 461682333 /nfs/dbraw/zinc/68/23/33/461682333.db2.gz ZDMZMYKKYCOUGZ-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000656256383 461682337 /nfs/dbraw/zinc/68/23/37/461682337.db2.gz ZDMZMYKKYCOUGZ-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656256383 461682346 /nfs/dbraw/zinc/68/23/46/461682346.db2.gz ZDMZMYKKYCOUGZ-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656256383 461682352 /nfs/dbraw/zinc/68/23/52/461682352.db2.gz ZDMZMYKKYCOUGZ-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@H]1Cn1cc[nH+]c1)CC2 ZINC000639042835 461687600 /nfs/dbraw/zinc/68/76/00/461687600.db2.gz LAFKQOKIJBAHGR-DOTOQJQBSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@H]1Cn1cc[nH+]c1)CC2 ZINC000639042835 461687604 /nfs/dbraw/zinc/68/76/04/461687604.db2.gz LAFKQOKIJBAHGR-DOTOQJQBSA-N 2 2 327.428 3.052 20 0 EGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000643460889 461735332 /nfs/dbraw/zinc/73/53/32/461735332.db2.gz BQHNYTJXUXIZAJ-IFXJQAMLSA-N 2 2 341.430 3.166 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000653592346 461747778 /nfs/dbraw/zinc/74/77/78/461747778.db2.gz WNDNSKIJIFVMDK-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000653592346 461747782 /nfs/dbraw/zinc/74/77/82/461747782.db2.gz WNDNSKIJIFVMDK-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538435 461758190 /nfs/dbraw/zinc/75/81/90/461758190.db2.gz KIMQQFFCQCLXBH-BJLQDIEVSA-N 2 2 328.431 3.269 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546151 461758744 /nfs/dbraw/zinc/75/87/44/461758744.db2.gz JQPAKSMPXGQJNY-MISYRCLQSA-N 3 2 327.516 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546151 461758751 /nfs/dbraw/zinc/75/87/51/461758751.db2.gz JQPAKSMPXGQJNY-MISYRCLQSA-N 3 2 327.516 3.161 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H](OC)[C@@H]3CCOC3)ccc2n1C1CC1 ZINC000639143692 461761620 /nfs/dbraw/zinc/76/16/20/461761620.db2.gz ZDWJZGZIFKXDNV-DNVCBOLYSA-N 2 2 343.471 3.075 20 0 EGADLP Cc1ccc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000647548073 461761754 /nfs/dbraw/zinc/76/17/54/461761754.db2.gz UQXQZJUZVHVNQO-XDNAFOTISA-N 2 2 330.472 3.353 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000639170639 461779308 /nfs/dbraw/zinc/77/93/08/461779308.db2.gz DAJZVXZAVFMQGY-SFHVURJKSA-N 2 2 348.441 3.213 20 0 EGADLP CC(C)O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475825 461801171 /nfs/dbraw/zinc/80/11/71/461801171.db2.gz VRNBNVLDTISGPY-LEWJYISDSA-N 2 2 346.515 3.339 20 0 EGADLP CC(C)O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475825 461801178 /nfs/dbraw/zinc/80/11/78/461801178.db2.gz VRNBNVLDTISGPY-LEWJYISDSA-N 2 2 346.515 3.339 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476168 461801223 /nfs/dbraw/zinc/80/12/23/461801223.db2.gz XIVHCOKTGFCZBX-LAUBAEHRSA-N 2 2 328.500 3.423 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476168 461801230 /nfs/dbraw/zinc/80/12/30/461801230.db2.gz XIVHCOKTGFCZBX-LAUBAEHRSA-N 2 2 328.500 3.423 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c(=O)c1 ZINC000663831602 461828439 /nfs/dbraw/zinc/82/84/39/461828439.db2.gz WSIOVSJLICNWMZ-LJQANCHMSA-N 2 2 344.499 3.326 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c(=O)c1 ZINC000663831602 461828443 /nfs/dbraw/zinc/82/84/43/461828443.db2.gz WSIOVSJLICNWMZ-LJQANCHMSA-N 2 2 344.499 3.326 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)cs2)cc1 ZINC000666842285 461828807 /nfs/dbraw/zinc/82/88/07/461828807.db2.gz LDZBIOUKUJMKHC-GOSISDBHSA-N 2 2 331.485 3.298 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@H+](C)[C@@H](C(C)C)C3)c2cc1OC ZINC000663841950 461831868 /nfs/dbraw/zinc/83/18/68/461831868.db2.gz UFNVFGVEZYQOFN-MRXNPFEDSA-N 2 2 329.444 3.028 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@@H+](C)[C@@H](C(C)C)C3)c2cc1OC ZINC000663841950 461831875 /nfs/dbraw/zinc/83/18/75/461831875.db2.gz UFNVFGVEZYQOFN-MRXNPFEDSA-N 2 2 329.444 3.028 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000639330570 461864496 /nfs/dbraw/zinc/86/44/96/461864496.db2.gz MMQHUAUPFDRUOT-OLEQZPESSA-N 2 2 328.500 3.156 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000639330570 461864504 /nfs/dbraw/zinc/86/45/04/461864504.db2.gz MMQHUAUPFDRUOT-OLEQZPESSA-N 2 2 328.500 3.156 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)ccc1OCc1ccccc1 ZINC000666946416 461882959 /nfs/dbraw/zinc/88/29/59/461882959.db2.gz AZXJZIYMHYRUDG-ROUUACIJSA-N 2 2 344.430 3.064 20 0 EGADLP CC(C)c1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)nc(C(C)C)[nH+]1 ZINC000663950414 461884931 /nfs/dbraw/zinc/88/49/31/461884931.db2.gz IUPPCGUOBSWATL-INIZCTEOSA-N 2 2 332.492 3.024 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@@H]1[NH3+] ZINC000647936784 461894244 /nfs/dbraw/zinc/89/42/44/461894244.db2.gz LIKMKEGYFBNGKV-IOASZLSFSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@@H]1[NH3+] ZINC000647936784 461894252 /nfs/dbraw/zinc/89/42/52/461894252.db2.gz LIKMKEGYFBNGKV-IOASZLSFSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@@H]1[NH3+] ZINC000647937413 461894624 /nfs/dbraw/zinc/89/46/24/461894624.db2.gz YJJPVEFIRHBNFS-KDOFPFPSSA-N 2 2 342.462 3.059 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@@H]1[NH3+] ZINC000647937413 461894630 /nfs/dbraw/zinc/89/46/30/461894630.db2.gz YJJPVEFIRHBNFS-KDOFPFPSSA-N 2 2 342.462 3.059 20 0 EGADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)CC(C)(C)[NH3+] ZINC000656785266 461895693 /nfs/dbraw/zinc/89/56/93/461895693.db2.gz MQZYHHWGHKKROU-UHFFFAOYSA-N 2 2 328.504 3.398 20 0 EGADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)CC(C)(C)[NH3+] ZINC000656785266 461895701 /nfs/dbraw/zinc/89/57/01/461895701.db2.gz MQZYHHWGHKKROU-UHFFFAOYSA-N 2 2 328.504 3.398 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647940275 461897490 /nfs/dbraw/zinc/89/74/90/461897490.db2.gz RUSXBVXLECGFND-ZOWXZIJZSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647940275 461897497 /nfs/dbraw/zinc/89/74/97/461897497.db2.gz RUSXBVXLECGFND-ZOWXZIJZSA-N 2 2 343.393 3.092 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708757 461903718 /nfs/dbraw/zinc/90/37/18/461903718.db2.gz LHFOXMOIXGCLRR-KSSFIOAISA-N 2 2 338.879 3.308 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708757 461903724 /nfs/dbraw/zinc/90/37/24/461903724.db2.gz LHFOXMOIXGCLRR-KSSFIOAISA-N 2 2 338.879 3.308 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656722 461907858 /nfs/dbraw/zinc/90/78/58/461907858.db2.gz WVZWSTYYDPXISW-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656722 461907862 /nfs/dbraw/zinc/90/78/62/461907862.db2.gz WVZWSTYYDPXISW-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656722 461907866 /nfs/dbraw/zinc/90/78/66/461907866.db2.gz WVZWSTYYDPXISW-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656722 461907872 /nfs/dbraw/zinc/90/78/72/461907872.db2.gz WVZWSTYYDPXISW-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650741111 461928480 /nfs/dbraw/zinc/92/84/80/461928480.db2.gz YEUBNNOGKRTDFD-NVXWUHKLSA-N 2 2 344.430 3.475 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ncc(Br)s1 ZINC000650755114 461937852 /nfs/dbraw/zinc/93/78/52/461937852.db2.gz ZLLNUTWQOIEBIS-QMMMGPOBSA-N 2 2 344.253 3.354 20 0 EGADLP Cc1nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664137917 461953744 /nfs/dbraw/zinc/95/37/44/461953744.db2.gz ZIMGEQLZKNFEQO-LBPRGKRZSA-N 2 2 341.297 3.388 20 0 EGADLP Cc1nc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664137917 461953752 /nfs/dbraw/zinc/95/37/52/461953752.db2.gz ZIMGEQLZKNFEQO-LBPRGKRZSA-N 2 2 341.297 3.388 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)co2)c1 ZINC000639495587 461954735 /nfs/dbraw/zinc/95/47/35/461954735.db2.gz RPLJLQLATAXKAE-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)co2)c1 ZINC000639495587 461954740 /nfs/dbraw/zinc/95/47/40/461954740.db2.gz RPLJLQLATAXKAE-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1cccc(-c2nc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)co2)c1 ZINC000639495587 461954742 /nfs/dbraw/zinc/95/47/42/461954742.db2.gz RPLJLQLATAXKAE-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1cccc(-c2nc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)co2)c1 ZINC000639495587 461954747 /nfs/dbraw/zinc/95/47/47/461954747.db2.gz RPLJLQLATAXKAE-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000644427957 461955999 /nfs/dbraw/zinc/95/59/99/461955999.db2.gz WCQMWHVBRMJESE-IWCQGFGOSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000644427957 461956006 /nfs/dbraw/zinc/95/60/06/461956006.db2.gz WCQMWHVBRMJESE-IWCQGFGOSA-N 2 2 342.405 3.257 20 0 EGADLP Cc1ccc(CCC[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c[nH+]1 ZINC000648055524 461961773 /nfs/dbraw/zinc/96/17/73/461961773.db2.gz CDMHYQYLZVTPBK-NRFANRHFSA-N 2 2 349.478 3.028 20 0 EGADLP Cc1ccc(CCC[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c[nH+]1 ZINC000648055524 461961776 /nfs/dbraw/zinc/96/17/76/461961776.db2.gz CDMHYQYLZVTPBK-NRFANRHFSA-N 2 2 349.478 3.028 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000644556009 461984997 /nfs/dbraw/zinc/98/49/97/461984997.db2.gz XUHUUEABDQKNLJ-BJJXKVORSA-N 2 2 339.361 3.369 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)n1-c1ccccc1 ZINC000644580210 461995206 /nfs/dbraw/zinc/99/52/06/461995206.db2.gz HIARQTMFHBCBLF-IIBYNOLFSA-N 2 2 335.451 3.435 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000657319131 462042385 /nfs/dbraw/zinc/04/23/85/462042385.db2.gz SRWAEYWIPBZZJS-UHFFFAOYSA-N 2 2 342.462 3.191 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)c[nH+]c1N1CCCC[C@H]1C ZINC000667345695 462050566 /nfs/dbraw/zinc/05/05/66/462050566.db2.gz MEAUPHCXRMUQBP-CVEARBPZSA-N 2 2 345.491 3.032 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nccn2C(C)C)cc1F ZINC000657329377 462050604 /nfs/dbraw/zinc/05/06/04/462050604.db2.gz OYZZUAVTTMLJAW-UHFFFAOYSA-N 2 2 327.407 3.387 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000657331629 462050750 /nfs/dbraw/zinc/05/07/50/462050750.db2.gz JKNJQVPYEBAVQH-UHFFFAOYSA-N 2 2 337.349 3.038 20 0 EGADLP CCCCc1noc([C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681853 462055046 /nfs/dbraw/zinc/05/50/46/462055046.db2.gz FXBGJSUELRFNRE-OAHLLOKOSA-N 2 2 329.448 3.081 20 0 EGADLP CCCCc1noc([C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681853 462055052 /nfs/dbraw/zinc/05/50/52/462055052.db2.gz FXBGJSUELRFNRE-OAHLLOKOSA-N 2 2 329.448 3.081 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2NCc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000657405111 462101131 /nfs/dbraw/zinc/10/11/31/462101131.db2.gz BCYRPDXDBSEDTF-HOTGVXAUSA-N 2 2 340.471 3.051 20 0 EGADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1OC ZINC000667493203 462110597 /nfs/dbraw/zinc/11/05/97/462110597.db2.gz MKYLCMQMBYFHFR-MRXNPFEDSA-N 2 2 327.428 3.184 20 0 EGADLP COc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1OC ZINC000667493203 462110602 /nfs/dbraw/zinc/11/06/02/462110602.db2.gz MKYLCMQMBYFHFR-MRXNPFEDSA-N 2 2 327.428 3.184 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000667555762 462140753 /nfs/dbraw/zinc/14/07/53/462140753.db2.gz MJAXRYHPFGKSPF-UHFFFAOYSA-N 2 2 337.471 3.471 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000667555762 462140760 /nfs/dbraw/zinc/14/07/60/462140760.db2.gz MJAXRYHPFGKSPF-UHFFFAOYSA-N 2 2 337.471 3.471 20 0 EGADLP Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657466194 462140993 /nfs/dbraw/zinc/14/09/93/462140993.db2.gz QFCMYEYNZIQXQC-DLBZAZTESA-N 2 2 333.382 3.197 20 0 EGADLP OCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C(F)(F)F)c1 ZINC000657478620 462147889 /nfs/dbraw/zinc/14/78/89/462147889.db2.gz MXKUQINSINNSAS-HNNXBMFYSA-N 2 2 339.361 3.061 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n(CC2CC2)n1 ZINC000667593339 462164334 /nfs/dbraw/zinc/16/43/34/462164334.db2.gz YNDLNZWXEGLEFP-IBGZPJMESA-N 2 2 330.520 3.381 20 0 EGADLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n(CC2CC2)n1 ZINC000667593339 462164339 /nfs/dbraw/zinc/16/43/39/462164339.db2.gz YNDLNZWXEGLEFP-IBGZPJMESA-N 2 2 330.520 3.381 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000657647261 462215508 /nfs/dbraw/zinc/21/55/08/462215508.db2.gz BHPPSCZESRLUNO-OTWHNJEPSA-N 2 2 327.472 3.497 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)on2)cc1 ZINC000645188564 462225786 /nfs/dbraw/zinc/22/57/86/462225786.db2.gz VIPNLBVDBVZNJP-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)on2)cc1 ZINC000645188564 462225795 /nfs/dbraw/zinc/22/57/95/462225795.db2.gz VIPNLBVDBVZNJP-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)on2)cc1 ZINC000645188564 462225802 /nfs/dbraw/zinc/22/58/02/462225802.db2.gz VIPNLBVDBVZNJP-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)on2)cc1 ZINC000645188564 462225810 /nfs/dbraw/zinc/22/58/10/462225810.db2.gz VIPNLBVDBVZNJP-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667736890 462239955 /nfs/dbraw/zinc/23/99/55/462239955.db2.gz WIKFFPQBMNSLAE-CQSZACIVSA-N 2 2 344.484 3.118 20 0 EGADLP COC1([C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCC1 ZINC000657887161 462309095 /nfs/dbraw/zinc/30/90/95/462309095.db2.gz HOUKWJGQVLIAAS-ROUUACIJSA-N 2 2 346.515 3.434 20 0 EGADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000665237744 462363728 /nfs/dbraw/zinc/36/37/28/462363728.db2.gz IVADGBDSEGTSLQ-SJLPKXTDSA-N 2 2 326.440 3.287 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089594 462378702 /nfs/dbraw/zinc/37/87/02/462378702.db2.gz ABWVUHPRLKHXPO-IAGOWNOFSA-N 2 2 334.504 3.487 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089594 462378704 /nfs/dbraw/zinc/37/87/04/462378704.db2.gz ABWVUHPRLKHXPO-IAGOWNOFSA-N 2 2 334.504 3.487 20 0 EGADLP C[C@@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000652038035 462414105 /nfs/dbraw/zinc/41/41/05/462414105.db2.gz HLWXYKMFYPFOKC-OAQYLSRUSA-N 2 2 347.466 3.022 20 0 EGADLP C[C@@]1([NH2+]Cc2ccc(-n3cncn3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652038035 462414110 /nfs/dbraw/zinc/41/41/10/462414110.db2.gz HLWXYKMFYPFOKC-OAQYLSRUSA-N 2 2 347.466 3.022 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138767 462447593 /nfs/dbraw/zinc/44/75/93/462447593.db2.gz PSWZWAHPMQCXRW-HRAATJIYSA-N 2 2 337.467 3.254 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138767 462447599 /nfs/dbraw/zinc/44/75/99/462447599.db2.gz PSWZWAHPMQCXRW-HRAATJIYSA-N 2 2 337.467 3.254 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000652154931 462455026 /nfs/dbraw/zinc/45/50/26/462455026.db2.gz RXRGBIXNXFZSHT-SYNHAJSKSA-N 2 2 325.456 3.252 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000652154931 462455031 /nfs/dbraw/zinc/45/50/31/462455031.db2.gz RXRGBIXNXFZSHT-SYNHAJSKSA-N 2 2 325.456 3.252 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285360 462455906 /nfs/dbraw/zinc/45/59/06/462455906.db2.gz KSLYAWYCWRYGIM-TZIWHRDSSA-N 2 2 339.483 3.448 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285360 462455911 /nfs/dbraw/zinc/45/59/11/462455911.db2.gz KSLYAWYCWRYGIM-TZIWHRDSSA-N 2 2 339.483 3.448 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000658294614 462460022 /nfs/dbraw/zinc/46/00/22/462460022.db2.gz OGAZSOSIPBDNKL-RTWAWAEBSA-N 2 2 330.516 3.405 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000658293444 462460456 /nfs/dbraw/zinc/46/04/56/462460456.db2.gz HDWDNKPUZPULEF-BBRMVZONSA-N 2 2 338.879 3.253 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296266 462462710 /nfs/dbraw/zinc/46/27/10/462462710.db2.gz RJIZPDZINWIUDA-GUYCJALGSA-N 2 2 340.870 3.253 20 0 EGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658297147 462463021 /nfs/dbraw/zinc/46/30/21/462463021.db2.gz YMEFZWIWYWQQGI-YJBOKZPZSA-N 2 2 328.456 3.207 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1F ZINC000183308567 533813483 /nfs/dbraw/zinc/81/34/83/533813483.db2.gz QOPLJQHWVYWWFF-VHSSKADRSA-N 2 2 338.442 3.383 20 0 EGADLP C[N@@H+](Cc1ccc(Br)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000351605281 536464491 /nfs/dbraw/zinc/46/44/91/536464491.db2.gz YPFOTAVNRCBGEH-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1ccc(Br)cc1F)C[C@H]1CCC[NH+](C)C1 ZINC000351605281 536464493 /nfs/dbraw/zinc/46/44/93/536464493.db2.gz YPFOTAVNRCBGEH-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(Br)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000351605281 536464494 /nfs/dbraw/zinc/46/44/94/536464494.db2.gz YPFOTAVNRCBGEH-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(Br)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000351605281 536464497 /nfs/dbraw/zinc/46/44/97/536464497.db2.gz YPFOTAVNRCBGEH-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP CC[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878076 529178158 /nfs/dbraw/zinc/17/81/58/529178158.db2.gz DBEDVMDWDGAYTJ-RTBURBONSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878076 529178160 /nfs/dbraw/zinc/17/81/60/529178160.db2.gz DBEDVMDWDGAYTJ-RTBURBONSA-N 2 2 326.488 3.371 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)CCn1cccn1 ZINC000346631001 534984911 /nfs/dbraw/zinc/98/49/11/534984911.db2.gz ZVECQRYPNOPMHA-QUCCMNQESA-N 2 2 328.504 3.408 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)CCn1cccn1 ZINC000346631001 534984919 /nfs/dbraw/zinc/98/49/19/534984919.db2.gz ZVECQRYPNOPMHA-QUCCMNQESA-N 2 2 328.504 3.408 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369646654 535074535 /nfs/dbraw/zinc/07/45/35/535074535.db2.gz IKUUXFFYTABMOT-UWVAXJGDSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369646654 535074539 /nfs/dbraw/zinc/07/45/39/535074539.db2.gz IKUUXFFYTABMOT-UWVAXJGDSA-N 2 2 345.531 3.180 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(OCC4CC4)CC3)sc2C1 ZINC000346215540 535250739 /nfs/dbraw/zinc/25/07/39/535250739.db2.gz KLSLAJILDHNNIJ-UHFFFAOYSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(OCC4CC4)CC3)sc2C1 ZINC000346215540 535250743 /nfs/dbraw/zinc/25/07/43/535250743.db2.gz KLSLAJILDHNNIJ-UHFFFAOYSA-N 2 2 349.544 3.301 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000265170617 536357206 /nfs/dbraw/zinc/35/72/06/536357206.db2.gz BETLETYRFNAKGS-UHFFFAOYSA-N 2 2 347.890 3.167 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000265170617 536357211 /nfs/dbraw/zinc/35/72/11/536357211.db2.gz BETLETYRFNAKGS-UHFFFAOYSA-N 2 2 347.890 3.167 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000151860301 546861367 /nfs/dbraw/zinc/86/13/67/546861367.db2.gz WZQYSDWLWUSZGR-IAGOWNOFSA-N 2 2 331.504 3.430 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000163641844 546973886 /nfs/dbraw/zinc/97/38/86/546973886.db2.gz XOYACVPXYOZDEQ-CYBMUJFWSA-N 2 2 330.394 3.467 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000163744608 546975376 /nfs/dbraw/zinc/97/53/76/546975376.db2.gz KQDMOUWREZEMJC-CYBMUJFWSA-N 2 2 346.393 3.347 20 0 EGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cc(C)[nH+]c(C)n1 ZINC000189448979 547158905 /nfs/dbraw/zinc/15/89/05/547158905.db2.gz WKPWPYNMLSHVNY-UHFFFAOYSA-N 2 2 325.460 3.231 20 0 EGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cscn3)cc2)CC1 ZINC000271066394 547343672 /nfs/dbraw/zinc/34/36/72/547343672.db2.gz DDFCDBUVICZQPS-MRXNPFEDSA-N 2 2 344.528 3.131 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cscn3)cc2)CC1 ZINC000271066394 547343676 /nfs/dbraw/zinc/34/36/76/547343676.db2.gz DDFCDBUVICZQPS-MRXNPFEDSA-N 2 2 344.528 3.131 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310096741 547461897 /nfs/dbraw/zinc/46/18/97/547461897.db2.gz VQPBGWPGZRFRQI-HXUWFJFHSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310096741 547461900 /nfs/dbraw/zinc/46/19/00/547461900.db2.gz VQPBGWPGZRFRQI-HXUWFJFHSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310096736 547462135 /nfs/dbraw/zinc/46/21/35/547462135.db2.gz VQPBGWPGZRFRQI-FQEVSTJZSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310096736 547462140 /nfs/dbraw/zinc/46/21/40/547462140.db2.gz VQPBGWPGZRFRQI-FQEVSTJZSA-N 3 2 329.532 3.363 20 0 EGADLP C[C@H](C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC000474817774 547954963 /nfs/dbraw/zinc/95/49/63/547954963.db2.gz KUIAOHRFHRFKKG-WXLSXGNJSA-N 2 2 336.442 3.302 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccnn2C)c1 ZINC000670263528 548192073 /nfs/dbraw/zinc/19/20/73/548192073.db2.gz WKCUHLNCOMAMOR-GOSISDBHSA-N 2 2 335.455 3.429 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccnn2C)c1 ZINC000670263528 548192077 /nfs/dbraw/zinc/19/20/77/548192077.db2.gz WKCUHLNCOMAMOR-GOSISDBHSA-N 2 2 335.455 3.429 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccnn2C)c1 ZINC000670263529 548192777 /nfs/dbraw/zinc/19/27/77/548192777.db2.gz WKCUHLNCOMAMOR-SFHVURJKSA-N 2 2 335.455 3.429 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccnn2C)c1 ZINC000670263529 548192779 /nfs/dbraw/zinc/19/27/79/548192779.db2.gz WKCUHLNCOMAMOR-SFHVURJKSA-N 2 2 335.455 3.429 20 0 EGADLP COc1cccc(OC)c1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000671715694 548341350 /nfs/dbraw/zinc/34/13/50/548341350.db2.gz TZSOZMWBXSCSOZ-UHFFFAOYSA-N 2 2 339.439 3.313 20 0 EGADLP OC[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000672619957 548454037 /nfs/dbraw/zinc/45/40/37/548454037.db2.gz KVJDDLGVODUGGS-MRXNPFEDSA-N 2 2 345.874 3.070 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000674881888 548821164 /nfs/dbraw/zinc/82/11/64/548821164.db2.gz WEFRPIIKMMPTQE-NQIIRXRSSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000674881888 548821168 /nfs/dbraw/zinc/82/11/68/548821168.db2.gz WEFRPIIKMMPTQE-NQIIRXRSSA-N 2 2 348.494 3.295 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000675514309 548932625 /nfs/dbraw/zinc/93/26/25/548932625.db2.gz CZVLILYZJDPDHO-HXUWFJFHSA-N 2 2 334.423 3.058 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000675514309 548932627 /nfs/dbraw/zinc/93/26/27/548932627.db2.gz CZVLILYZJDPDHO-HXUWFJFHSA-N 2 2 334.423 3.058 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000675809525 548986572 /nfs/dbraw/zinc/98/65/72/548986572.db2.gz JRDCRYKXZIRUNV-BMFZPTHFSA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000675809525 548986575 /nfs/dbraw/zinc/98/65/75/548986575.db2.gz JRDCRYKXZIRUNV-BMFZPTHFSA-N 2 2 325.522 3.239 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000677987032 549371208 /nfs/dbraw/zinc/37/12/08/549371208.db2.gz COADRFVZWVNJLV-UHFFFAOYSA-N 2 2 326.263 3.074 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2sc(Br)cc2C1 ZINC000677987032 549371211 /nfs/dbraw/zinc/37/12/11/549371211.db2.gz COADRFVZWVNJLV-UHFFFAOYSA-N 2 2 326.263 3.074 20 0 EGADLP CC(C)c1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000677742924 549324462 /nfs/dbraw/zinc/32/44/62/549324462.db2.gz UPXLKDXJCQJQEP-MRXNPFEDSA-N 2 2 332.492 3.024 20 0 EGADLP Cc1nc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000678939413 549599771 /nfs/dbraw/zinc/59/97/71/549599771.db2.gz STMXMVYQGUNBRC-WBMJQRKESA-N 2 2 345.516 3.468 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)CCCCO)[NH+]2CCCCC2)cc1 ZINC000679329110 549688565 /nfs/dbraw/zinc/68/85/65/549688565.db2.gz ZUKSURNOPFAFFR-FXAWDEMLSA-N 2 2 334.504 3.363 20 0 EGADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679339307 549691520 /nfs/dbraw/zinc/69/15/20/549691520.db2.gz GYLCMQBJDFKXMC-OAHLLOKOSA-N 2 2 328.460 3.044 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)on2)cc1 ZINC000683227928 550205955 /nfs/dbraw/zinc/20/59/55/550205955.db2.gz FMJWUQLHEUIZAT-INIZCTEOSA-N 2 2 329.444 3.266 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)on2)cc1 ZINC000683227928 550205957 /nfs/dbraw/zinc/20/59/57/550205957.db2.gz FMJWUQLHEUIZAT-INIZCTEOSA-N 2 2 329.444 3.266 20 0 EGADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000684953339 550387669 /nfs/dbraw/zinc/38/76/69/550387669.db2.gz DETREDGSPOHRPE-HXUWFJFHSA-N 2 2 337.467 3.081 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cn[nH]c2)cc1 ZINC000685451195 550417718 /nfs/dbraw/zinc/41/77/18/550417718.db2.gz DKFGNNNIPMUOAF-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cn[nH]c2)cc1 ZINC000685451195 550417720 /nfs/dbraw/zinc/41/77/20/550417720.db2.gz DKFGNNNIPMUOAF-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP CN(Cc1cnc(C2CCC2)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685458033 550419089 /nfs/dbraw/zinc/41/90/89/550419089.db2.gz YJUZMWDIPGUCPR-KRWDZBQOSA-N 2 2 348.560 3.011 20 0 EGADLP CN(Cc1cnc(C2CCC2)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685458033 550419091 /nfs/dbraw/zinc/41/90/91/550419091.db2.gz YJUZMWDIPGUCPR-KRWDZBQOSA-N 2 2 348.560 3.011 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685462497 550419754 /nfs/dbraw/zinc/41/97/54/550419754.db2.gz UORMQCIZTSURNS-UHFFFAOYSA-N 2 2 343.862 3.303 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685462497 550419755 /nfs/dbraw/zinc/41/97/55/550419755.db2.gz UORMQCIZTSURNS-UHFFFAOYSA-N 2 2 343.862 3.303 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000727469301 574670199 /nfs/dbraw/zinc/67/01/99/574670199.db2.gz SUBGLYNUCMFFGJ-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP CCOc1nn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=S)s1 ZINC000738091511 574710372 /nfs/dbraw/zinc/71/03/72/574710372.db2.gz YPRGBYSCLGRGKL-UHFFFAOYSA-N 2 2 344.550 3.082 20 0 EGADLP CCOc1nn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=S)s1 ZINC000738091511 574710373 /nfs/dbraw/zinc/71/03/73/574710373.db2.gz YPRGBYSCLGRGKL-UHFFFAOYSA-N 2 2 344.550 3.082 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000729266537 574834823 /nfs/dbraw/zinc/83/48/23/574834823.db2.gz JQLAVMQQKIUQHA-KRWDZBQOSA-N 2 2 337.423 3.443 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c2cc1C ZINC000729266537 574834824 /nfs/dbraw/zinc/83/48/24/574834824.db2.gz JQLAVMQQKIUQHA-KRWDZBQOSA-N 2 2 337.423 3.443 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C3)cc2)c1 ZINC000729681859 574878040 /nfs/dbraw/zinc/87/80/40/574878040.db2.gz LHMDLXCIZPMGQV-MRXNPFEDSA-N 2 2 342.439 3.290 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C3)cc2)c1 ZINC000729681859 574878041 /nfs/dbraw/zinc/87/80/41/574878041.db2.gz LHMDLXCIZPMGQV-MRXNPFEDSA-N 2 2 342.439 3.290 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000731865494 575213419 /nfs/dbraw/zinc/21/34/19/575213419.db2.gz LMSRDEMCYJGNAP-LJQANCHMSA-N 2 2 331.504 3.014 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000731865494 575213422 /nfs/dbraw/zinc/21/34/22/575213422.db2.gz LMSRDEMCYJGNAP-LJQANCHMSA-N 2 2 331.504 3.014 20 0 EGADLP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000731865494 575213425 /nfs/dbraw/zinc/21/34/25/575213425.db2.gz LMSRDEMCYJGNAP-LJQANCHMSA-N 2 2 331.504 3.014 20 0 EGADLP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000731865494 575213428 /nfs/dbraw/zinc/21/34/28/575213428.db2.gz LMSRDEMCYJGNAP-LJQANCHMSA-N 2 2 331.504 3.014 20 0 EGADLP C[C@@H](CNc1nc(N2CCCC2)cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000733190205 575318933 /nfs/dbraw/zinc/31/89/33/575318933.db2.gz AJHFWGXDRJDPLK-INIZCTEOSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@@H](CNc1nc(N2CCCC2)cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000733190205 575318934 /nfs/dbraw/zinc/31/89/34/575318934.db2.gz AJHFWGXDRJDPLK-INIZCTEOSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000733795772 575396539 /nfs/dbraw/zinc/39/65/39/575396539.db2.gz RTXMQDBHVAVAJQ-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000733795772 575396542 /nfs/dbraw/zinc/39/65/42/575396542.db2.gz RTXMQDBHVAVAJQ-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000733795772 575396545 /nfs/dbraw/zinc/39/65/45/575396545.db2.gz RTXMQDBHVAVAJQ-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000733795772 575396548 /nfs/dbraw/zinc/39/65/48/575396548.db2.gz RTXMQDBHVAVAJQ-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686398 576169549 /nfs/dbraw/zinc/16/95/49/576169549.db2.gz QITNGJYCWSOTIL-CRAIPNDOSA-N 2 2 329.444 3.304 20 0 EGADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686398 576169551 /nfs/dbraw/zinc/16/95/51/576169551.db2.gz QITNGJYCWSOTIL-CRAIPNDOSA-N 2 2 329.444 3.304 20 0 EGADLP Fc1ccc(-c2ccn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738159017 576294596 /nfs/dbraw/zinc/29/45/96/576294596.db2.gz QALQWIUKSGBWFO-KRWDZBQOSA-N 2 2 325.391 3.180 20 0 EGADLP Fc1ccc(-c2ccn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738159017 576294601 /nfs/dbraw/zinc/29/46/01/576294601.db2.gz QALQWIUKSGBWFO-KRWDZBQOSA-N 2 2 325.391 3.180 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742375044 576775598 /nfs/dbraw/zinc/77/55/98/576775598.db2.gz LKARWXGVNUOQLJ-PBHICJAKSA-N 2 2 346.906 3.466 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742375044 576775599 /nfs/dbraw/zinc/77/55/99/576775599.db2.gz LKARWXGVNUOQLJ-PBHICJAKSA-N 2 2 346.906 3.466 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1F ZINC000063548964 1292015815 /nfs/dbraw/zinc/01/58/15/1292015815.db2.gz UOYQTQUGQDXJRY-UHFFFAOYSA-N 2 2 339.370 3.338 20 0 EGADLP O=C1O[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)CN1C1CCCCC1 ZINC000827793107 1292374747 /nfs/dbraw/zinc/37/47/47/1292374747.db2.gz SVCQDKLQOLESOF-LJQANCHMSA-N 2 2 349.519 3.090 20 0 EGADLP CC(C)(O)c1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000830161079 1292675000 /nfs/dbraw/zinc/67/50/00/1292675000.db2.gz LNSBYTZADUBDMU-UHFFFAOYSA-N 2 2 348.556 3.365 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCOC1 ZINC000122352202 1293409974 /nfs/dbraw/zinc/40/99/74/1293409974.db2.gz FBLYNFNIDNBVJG-JXFKEZNVSA-N 2 2 331.504 3.126 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000124056343 1293464783 /nfs/dbraw/zinc/46/47/83/1293464783.db2.gz RCMRCCQHKFXRGG-IBGZPJMESA-N 2 2 341.455 3.180 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000124056343 1293464788 /nfs/dbraw/zinc/46/47/88/1293464788.db2.gz RCMRCCQHKFXRGG-IBGZPJMESA-N 2 2 341.455 3.180 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)cn1 ZINC000126416254 1293534126 /nfs/dbraw/zinc/53/41/26/1293534126.db2.gz FYONAXMJYMDKGT-LBPRGKRZSA-N 2 2 327.819 3.475 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404046 1295261523 /nfs/dbraw/zinc/26/15/23/1295261523.db2.gz IKKQUVPFQCAYMD-QWRGUYRKSA-N 2 2 345.256 3.286 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404046 1295261531 /nfs/dbraw/zinc/26/15/31/1295261531.db2.gz IKKQUVPFQCAYMD-QWRGUYRKSA-N 2 2 345.256 3.286 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000191278704 1295664584 /nfs/dbraw/zinc/66/45/84/1295664584.db2.gz VDZODYIFTBJSCY-SFHVURJKSA-N 2 2 340.471 3.089 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000191278704 1295664602 /nfs/dbraw/zinc/66/46/02/1295664602.db2.gz VDZODYIFTBJSCY-SFHVURJKSA-N 2 2 340.471 3.089 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000237315080 1296234681 /nfs/dbraw/zinc/23/46/81/1296234681.db2.gz YAUZFLCDICCMEP-KRWDZBQOSA-N 2 2 348.450 3.438 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc3ccccn23)CC1 ZINC000237733462 1296259786 /nfs/dbraw/zinc/25/97/86/1296259786.db2.gz AVBSLDAOXFIWCF-UHFFFAOYSA-N 2 2 334.467 3.397 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000301465299 1296788046 /nfs/dbraw/zinc/78/80/46/1296788046.db2.gz BRIIXHOXLNLDGU-BRWVUGGUSA-N 2 2 341.540 3.246 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376426781 1297517888 /nfs/dbraw/zinc/51/78/88/1297517888.db2.gz MDODVHWOESQSSW-GOEBONIOSA-N 2 2 337.427 3.411 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376426781 1297517896 /nfs/dbraw/zinc/51/78/96/1297517896.db2.gz MDODVHWOESQSSW-GOEBONIOSA-N 2 2 337.427 3.411 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689723 1297538283 /nfs/dbraw/zinc/53/82/83/1297538283.db2.gz IRNOJMNONPDIRK-WBVHZDCISA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689723 1297538287 /nfs/dbraw/zinc/53/82/87/1297538287.db2.gz IRNOJMNONPDIRK-WBVHZDCISA-N 2 2 339.524 3.144 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248646 1297764568 /nfs/dbraw/zinc/76/45/68/1297764568.db2.gz IQDUIYOFVVJYRX-CEXWTWQISA-N 3 2 327.516 3.147 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248646 1297764579 /nfs/dbraw/zinc/76/45/79/1297764579.db2.gz IQDUIYOFVVJYRX-CEXWTWQISA-N 3 2 327.516 3.147 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874889 1298153195 /nfs/dbraw/zinc/15/31/95/1298153195.db2.gz AGOORHFJNLJOCP-XHSDSOJGSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874889 1298153200 /nfs/dbraw/zinc/15/32/00/1298153200.db2.gz AGOORHFJNLJOCP-XHSDSOJGSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000693878780 1298153645 /nfs/dbraw/zinc/15/36/45/1298153645.db2.gz PAKZYYAZIDAUMR-ARFHVFGLSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000693878780 1298153653 /nfs/dbraw/zinc/15/36/53/1298153653.db2.gz PAKZYYAZIDAUMR-ARFHVFGLSA-N 2 2 339.524 3.285 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708548795 1298244427 /nfs/dbraw/zinc/24/44/27/1298244427.db2.gz CKTOCMZWNQLYHG-YOEHRIQHSA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708548795 1298244434 /nfs/dbraw/zinc/24/44/34/1298244434.db2.gz CKTOCMZWNQLYHG-YOEHRIQHSA-N 2 2 346.906 3.240 20 0 EGADLP C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000712454041 1298265233 /nfs/dbraw/zinc/26/52/33/1298265233.db2.gz XVVGKELVJNWFHX-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712454041 1298265238 /nfs/dbraw/zinc/26/52/38/1298265238.db2.gz XVVGKELVJNWFHX-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878126190 1299764237 /nfs/dbraw/zinc/76/42/37/1299764237.db2.gz UKUOWFIBVVSTET-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878126190 1299764245 /nfs/dbraw/zinc/76/42/45/1299764245.db2.gz UKUOWFIBVVSTET-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000878126190 1299764256 /nfs/dbraw/zinc/76/42/56/1299764256.db2.gz UKUOWFIBVVSTET-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126190 1299764263 /nfs/dbraw/zinc/76/42/63/1299764263.db2.gz UKUOWFIBVVSTET-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)co1 ZINC000878196959 1299815463 /nfs/dbraw/zinc/81/54/63/1299815463.db2.gz KAWQODDQXFXZHA-YJBOKZPZSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)co1 ZINC000878196959 1299815474 /nfs/dbraw/zinc/81/54/74/1299815474.db2.gz KAWQODDQXFXZHA-YJBOKZPZSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)co1 ZINC000878196959 1299815483 /nfs/dbraw/zinc/81/54/83/1299815483.db2.gz KAWQODDQXFXZHA-YJBOKZPZSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)co1 ZINC000878196959 1299815494 /nfs/dbraw/zinc/81/54/94/1299815494.db2.gz KAWQODDQXFXZHA-YJBOKZPZSA-N 2 2 341.455 3.266 20 0 EGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000753858404 1300030635 /nfs/dbraw/zinc/03/06/35/1300030635.db2.gz KPNVRHOFSFDSJR-KDOFPFPSSA-N 2 2 336.426 3.185 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653117 1300128433 /nfs/dbraw/zinc/12/84/33/1300128433.db2.gz YTRIVDVCGOCLLW-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653117 1300128435 /nfs/dbraw/zinc/12/84/35/1300128435.db2.gz YTRIVDVCGOCLLW-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000878653117 1300128437 /nfs/dbraw/zinc/12/84/37/1300128437.db2.gz YTRIVDVCGOCLLW-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000878653117 1300128441 /nfs/dbraw/zinc/12/84/41/1300128441.db2.gz YTRIVDVCGOCLLW-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568633 1301164022 /nfs/dbraw/zinc/16/40/22/1301164022.db2.gz BQMLLQTVPQVEEP-RTWAWAEBSA-N 2 2 335.451 3.208 20 0 EGADLP CCCCOC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762925112 1301785613 /nfs/dbraw/zinc/78/56/13/1301785613.db2.gz BHJZSDBUPJRVQK-UHFFFAOYSA-N 2 2 344.499 3.318 20 0 EGADLP CCCCOC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925112 1301785618 /nfs/dbraw/zinc/78/56/18/1301785618.db2.gz BHJZSDBUPJRVQK-UHFFFAOYSA-N 2 2 344.499 3.318 20 0 EGADLP C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000882874004 1302140902 /nfs/dbraw/zinc/14/09/02/1302140902.db2.gz RKGFUQXHBWDMRA-NTDBWNAOSA-N 2 2 340.471 3.002 20 0 EGADLP C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000882874004 1302140907 /nfs/dbraw/zinc/14/09/07/1302140907.db2.gz RKGFUQXHBWDMRA-NTDBWNAOSA-N 2 2 340.471 3.002 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000882949755 1302177998 /nfs/dbraw/zinc/17/79/98/1302177998.db2.gz GUJVMMNBBAUCTR-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765975799 1302360430 /nfs/dbraw/zinc/36/04/30/1302360430.db2.gz KIINEDRUEQWWGS-AEFFLSMTSA-N 2 2 332.488 3.298 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388580 1302427864 /nfs/dbraw/zinc/42/78/64/1302427864.db2.gz YBYHZXUVWMOAOZ-ACBHZAAOSA-N 2 2 341.455 3.336 20 0 EGADLP CC[C@@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766359912 1302438524 /nfs/dbraw/zinc/43/85/24/1302438524.db2.gz IKQVREMOLYTECB-IRXDYDNUSA-N 2 2 333.520 3.108 20 0 EGADLP CN(C(=O)C(C)(C)C1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000766975423 1302554924 /nfs/dbraw/zinc/55/49/24/1302554924.db2.gz SXSMQHHYLHXPPL-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)C(C)(C)C1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000766975423 1302554930 /nfs/dbraw/zinc/55/49/30/1302554930.db2.gz SXSMQHHYLHXPPL-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000768109647 1302826629 /nfs/dbraw/zinc/82/66/29/1302826629.db2.gz WVWDMQFXBRFKCK-PKOBYXMFSA-N 2 2 334.529 3.490 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221417 1302858791 /nfs/dbraw/zinc/85/87/91/1302858791.db2.gz RFIQBFNNKJFZFL-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221417 1302858807 /nfs/dbraw/zinc/85/88/07/1302858807.db2.gz RFIQBFNNKJFZFL-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388779 1303397024 /nfs/dbraw/zinc/39/70/24/1303397024.db2.gz JYXVLPIPCRRAPL-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388779 1303397026 /nfs/dbraw/zinc/39/70/26/1303397026.db2.gz JYXVLPIPCRRAPL-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@H](C)c3ccccc3)CC2)[nH+]c1C ZINC000886659946 1303542620 /nfs/dbraw/zinc/54/26/20/1303542620.db2.gz ZBYLDMFACIQIFQ-MRXNPFEDSA-N 2 2 340.471 3.083 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000886872646 1303620828 /nfs/dbraw/zinc/62/08/28/1303620828.db2.gz XTZYCVDDIDGOIC-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000886872646 1303620832 /nfs/dbraw/zinc/62/08/32/1303620832.db2.gz XTZYCVDDIDGOIC-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874297 1303622155 /nfs/dbraw/zinc/62/21/55/1303622155.db2.gz LBMNFCCQTVJNDI-JXFKEZNVSA-N 2 2 329.488 3.042 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874297 1303622159 /nfs/dbraw/zinc/62/21/59/1303622159.db2.gz LBMNFCCQTVJNDI-JXFKEZNVSA-N 2 2 329.488 3.042 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1OC ZINC000775622419 1303996519 /nfs/dbraw/zinc/99/65/19/1303996519.db2.gz CLZGQGBFRPKVIQ-SFHVURJKSA-N 2 2 348.487 3.154 20 0 EGADLP c1cn2c(cccc2CN2CCC[N@@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000775638023 1304001036 /nfs/dbraw/zinc/00/10/36/1304001036.db2.gz VVSHNPPVSKFDRO-UHFFFAOYSA-N 2 2 348.494 3.475 20 0 EGADLP c1cn2c(cccc2CN2CCC[N@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000775638023 1304001040 /nfs/dbraw/zinc/00/10/40/1304001040.db2.gz VVSHNPPVSKFDRO-UHFFFAOYSA-N 2 2 348.494 3.475 20 0 EGADLP Cc1ccc([C@@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783031463 1305039262 /nfs/dbraw/zinc/03/92/62/1305039262.db2.gz SNWKUPKPFIAEKP-FQEVSTJZSA-N 2 2 327.472 3.417 20 0 EGADLP Cc1cc(F)ncc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000893137267 1305727502 /nfs/dbraw/zinc/72/75/02/1305727502.db2.gz ZBHYAGOTQGQKAN-UHFFFAOYSA-N 2 2 343.450 3.067 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788250673 1305907448 /nfs/dbraw/zinc/90/74/48/1305907448.db2.gz TXJVJOSYUBJFPI-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788250673 1305907458 /nfs/dbraw/zinc/90/74/58/1305907458.db2.gz TXJVJOSYUBJFPI-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CCC1 ZINC000788259298 1305910075 /nfs/dbraw/zinc/91/00/75/1305910075.db2.gz NDMVVTOZDTVWMH-HOTGVXAUSA-N 2 2 339.524 3.286 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CCC1 ZINC000788259581 1305910359 /nfs/dbraw/zinc/91/03/59/1305910359.db2.gz NDMVVTOZDTVWMH-HZPDHXFCSA-N 2 2 339.524 3.286 20 0 EGADLP Cc1ncoc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000894019442 1306177504 /nfs/dbraw/zinc/17/75/04/1306177504.db2.gz NCHPWCDEYUXLQS-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000894019442 1306177508 /nfs/dbraw/zinc/17/75/08/1306177508.db2.gz NCHPWCDEYUXLQS-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000894019442 1306177511 /nfs/dbraw/zinc/17/75/11/1306177511.db2.gz NCHPWCDEYUXLQS-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000894019442 1306177516 /nfs/dbraw/zinc/17/75/16/1306177516.db2.gz NCHPWCDEYUXLQS-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000894288612 1306323478 /nfs/dbraw/zinc/32/34/78/1306323478.db2.gz WCLCHWKEXIGIIA-UHFFFAOYSA-N 2 2 325.412 3.498 20 0 EGADLP Cc1ncoc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000894288612 1306323487 /nfs/dbraw/zinc/32/34/87/1306323487.db2.gz WCLCHWKEXIGIIA-UHFFFAOYSA-N 2 2 325.412 3.498 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n(C)n1 ZINC000793531708 1309396032 /nfs/dbraw/zinc/39/60/32/1309396032.db2.gz FERJBEXXZGTJGR-MRXNPFEDSA-N 2 2 341.503 3.114 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c[nH+]1 ZINC000895809121 1309530101 /nfs/dbraw/zinc/53/01/01/1309530101.db2.gz GPZSJHJPLYXMMY-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c[nH+]1 ZINC000895809121 1309530113 /nfs/dbraw/zinc/53/01/13/1309530113.db2.gz GPZSJHJPLYXMMY-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000796279540 1309950973 /nfs/dbraw/zinc/95/09/73/1309950973.db2.gz CPAMGXXBLDKNGR-OAHLLOKOSA-N 2 2 347.894 3.051 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000796279540 1309950983 /nfs/dbraw/zinc/95/09/83/1309950983.db2.gz CPAMGXXBLDKNGR-OAHLLOKOSA-N 2 2 347.894 3.051 20 0 EGADLP CO[C@H]([C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000825098858 1320309596 /nfs/dbraw/zinc/30/95/96/1320309596.db2.gz PEVDOZNPJDALAW-MGPUTAFESA-N 2 2 331.504 3.125 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000929527864 1328627570 /nfs/dbraw/zinc/62/75/70/1328627570.db2.gz WPLBULKZWNSADI-RTBURBONSA-N 2 2 341.455 3.085 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000929527864 1328627573 /nfs/dbraw/zinc/62/75/73/1328627573.db2.gz WPLBULKZWNSADI-RTBURBONSA-N 2 2 341.455 3.085 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000806134085 1317463440 /nfs/dbraw/zinc/46/34/40/1317463440.db2.gz GRPCOLZLQMOPMC-HIFRSBDPSA-N 2 2 325.334 3.072 20 0 EGADLP CCC[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CC1 ZINC000957568426 1317467031 /nfs/dbraw/zinc/46/70/31/1317467031.db2.gz JLTLFUHLWOCAPO-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccccn3)C3CC3)[nH+]c2)C1 ZINC000903139330 1317661504 /nfs/dbraw/zinc/66/15/04/1317661504.db2.gz GWNMJAGFWTWIAX-XLIONFOSSA-N 2 2 337.471 3.180 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001020388728 1317675609 /nfs/dbraw/zinc/67/56/09/1317675609.db2.gz IQOZAIWUNWGHAQ-QAQDUYKDSA-N 2 2 338.455 3.075 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CCc3ccccc3)C2)c(C)[nH+]1 ZINC001020414071 1317686236 /nfs/dbraw/zinc/68/62/36/1317686236.db2.gz SSSWSLPMJJBUDV-WGSAOQKQSA-N 2 2 337.467 3.100 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)c(C)[nH+]1 ZINC001020414615 1317686967 /nfs/dbraw/zinc/68/69/67/1317686967.db2.gz DVPCPVQKLSYNRH-IYARVYRRSA-N 2 2 341.499 3.438 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)no2)CCC1 ZINC000903812899 1317737016 /nfs/dbraw/zinc/73/70/16/1317737016.db2.gz ADIKSNLWAZVBKZ-MRXNPFEDSA-N 2 2 326.444 3.220 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3)no2)CCC1 ZINC000903812899 1317737019 /nfs/dbraw/zinc/73/70/19/1317737019.db2.gz ADIKSNLWAZVBKZ-MRXNPFEDSA-N 2 2 326.444 3.220 20 0 EGADLP COc1ccc2cc(C[NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)ccc2c1 ZINC000903975107 1317759916 /nfs/dbraw/zinc/75/99/16/1317759916.db2.gz XTCJPLWMOFHCJC-IBGZPJMESA-N 2 2 340.467 3.097 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001020633345 1317817087 /nfs/dbraw/zinc/81/70/87/1317817087.db2.gz GYCROVUSZRWDJK-GWEOLNPGSA-N 2 2 346.519 3.042 20 0 EGADLP Cc1cn2cc(NC(=O)N3CCCC[C@H]3C3(C[NH3+])CCC3)ccc2[nH+]1 ZINC000904328461 1317831755 /nfs/dbraw/zinc/83/17/55/1317831755.db2.gz OWMLHVLLLOWMSM-INIZCTEOSA-N 2 2 341.459 3.158 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000904326797 1317831783 /nfs/dbraw/zinc/83/17/83/1317831783.db2.gz SKZIVBDMNHIDLB-WMZOPIPTSA-N 2 2 326.525 3.190 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809633703 1317852444 /nfs/dbraw/zinc/85/24/44/1317852444.db2.gz SAMNZMJASCKGAM-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809633703 1317852451 /nfs/dbraw/zinc/85/24/51/1317852451.db2.gz SAMNZMJASCKGAM-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809753715 1317891356 /nfs/dbraw/zinc/89/13/56/1317891356.db2.gz YHWZBOYLSXVUDF-UHFFFAOYSA-N 2 2 345.447 3.147 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809753715 1317891364 /nfs/dbraw/zinc/89/13/64/1317891364.db2.gz YHWZBOYLSXVUDF-UHFFFAOYSA-N 2 2 345.447 3.147 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000906517350 1318112167 /nfs/dbraw/zinc/11/21/67/1318112167.db2.gz NXILBHULNHVWGV-HAQNSBGRSA-N 2 2 327.375 3.408 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633715 1318489121 /nfs/dbraw/zinc/48/91/21/1318489121.db2.gz SNJCFILZTHXZTD-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633715 1318489128 /nfs/dbraw/zinc/48/91/28/1318489128.db2.gz SNJCFILZTHXZTD-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960707657 1318808666 /nfs/dbraw/zinc/80/86/66/1318808666.db2.gz HCFTZXSZFZGHQR-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960707657 1318808675 /nfs/dbraw/zinc/80/86/75/1318808675.db2.gz HCFTZXSZFZGHQR-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001022286716 1318878262 /nfs/dbraw/zinc/87/82/62/1318878262.db2.gz UUVIJGFVNRTFDO-HDICACEKSA-N 2 2 348.450 3.230 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143608 1318908302 /nfs/dbraw/zinc/90/83/02/1318908302.db2.gz BHAJVQSZVZELFB-IRXDYDNUSA-N 2 2 342.405 3.157 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143608 1318908308 /nfs/dbraw/zinc/90/83/08/1318908308.db2.gz BHAJVQSZVZELFB-IRXDYDNUSA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143608 1318908314 /nfs/dbraw/zinc/90/83/14/1318908314.db2.gz BHAJVQSZVZELFB-IRXDYDNUSA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143608 1318908317 /nfs/dbraw/zinc/90/83/17/1318908317.db2.gz BHAJVQSZVZELFB-IRXDYDNUSA-N 2 2 342.405 3.157 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001022692532 1319071350 /nfs/dbraw/zinc/07/13/50/1319071350.db2.gz MCPADDNOOIARBQ-BBWFWOEESA-N 2 2 344.503 3.037 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC(C)CC1 ZINC000960992344 1319122788 /nfs/dbraw/zinc/12/27/88/1319122788.db2.gz PEUOHDUFPBBPCN-VMWRSERWSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC(C)CC1 ZINC000960992344 1319122795 /nfs/dbraw/zinc/12/27/95/1319122795.db2.gz PEUOHDUFPBBPCN-VMWRSERWSA-N 2 2 346.519 3.010 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190598 1319304894 /nfs/dbraw/zinc/30/48/94/1319304894.db2.gz SEBPLWUQWPJNOU-CVEARBPZSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190598 1319304907 /nfs/dbraw/zinc/30/49/07/1319304907.db2.gz SEBPLWUQWPJNOU-CVEARBPZSA-N 2 2 340.471 3.145 20 0 EGADLP CCOc1cccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000817949752 1319474008 /nfs/dbraw/zinc/47/40/08/1319474008.db2.gz UVUMWTOOPPTZKL-HNNXBMFYSA-N 2 2 326.444 3.063 20 0 EGADLP Cc1ccc(C[NH2+]CC2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC000961987854 1319794956 /nfs/dbraw/zinc/79/49/56/1319794956.db2.gz IEPBYUKKUXNHMF-UHFFFAOYSA-N 2 2 348.450 3.170 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000820807564 1319956534 /nfs/dbraw/zinc/95/65/34/1319956534.db2.gz LGDYCILWAZDSLL-MRXNPFEDSA-N 3 2 349.482 3.488 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000930468845 1328864562 /nfs/dbraw/zinc/86/45/62/1328864562.db2.gz BVMGVWIVJWTUHW-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000930468845 1328864563 /nfs/dbraw/zinc/86/45/63/1328864563.db2.gz BVMGVWIVJWTUHW-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508160 1328881027 /nfs/dbraw/zinc/88/10/27/1328881027.db2.gz DMAGMOBGFLZEBA-YOEHRIQHSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508160 1328881032 /nfs/dbraw/zinc/88/10/32/1328881032.db2.gz DMAGMOBGFLZEBA-YOEHRIQHSA-N 2 2 334.423 3.128 20 0 EGADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841026689 1321203278 /nfs/dbraw/zinc/20/32/78/1321203278.db2.gz PEZVRCMFEXKXFD-UHFFFAOYSA-N 2 2 332.879 3.293 20 0 EGADLP C[NH+](C)[C@H](CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000841382184 1321267209 /nfs/dbraw/zinc/26/72/09/1321267209.db2.gz BHLVREMPUKUSQR-QZTJIDSGSA-N 2 2 342.487 3.107 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000842476242 1321394369 /nfs/dbraw/zinc/39/43/69/1321394369.db2.gz KAAPKWBSZPQFBU-IBGZPJMESA-N 2 2 337.467 3.270 20 0 EGADLP CC(C)Cc1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844334579 1321590605 /nfs/dbraw/zinc/59/06/05/1321590605.db2.gz JVGNBHLXCRQVBA-UHFFFAOYSA-N 2 2 330.516 3.212 20 0 EGADLP C[C@@H](CC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470861 1321710860 /nfs/dbraw/zinc/71/08/60/1321710860.db2.gz AGYCLAGMUOLWQA-HKUYNNGSSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@@H](CC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470861 1321710866 /nfs/dbraw/zinc/71/08/66/1321710866.db2.gz AGYCLAGMUOLWQA-HKUYNNGSSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@@H](CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581819 1321720044 /nfs/dbraw/zinc/72/00/44/1321720044.db2.gz LPEDVCIACBWZAF-AOIWGVFYSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@@H](CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581819 1321720051 /nfs/dbraw/zinc/72/00/51/1321720051.db2.gz LPEDVCIACBWZAF-AOIWGVFYSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@@H](COCC1CC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000846072363 1321766773 /nfs/dbraw/zinc/76/67/73/1321766773.db2.gz GHLAPFNZLHCAQK-INIZCTEOSA-N 2 2 331.504 3.126 20 0 EGADLP Cc1ncncc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000848528366 1321970198 /nfs/dbraw/zinc/97/01/98/1321970198.db2.gz FTLNSCSZVIYOKI-INIZCTEOSA-N 2 2 339.487 3.171 20 0 EGADLP CCOC(=O)NC1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000850427435 1322246819 /nfs/dbraw/zinc/24/68/19/1322246819.db2.gz SYTRJOCSBQMANQ-UHFFFAOYSA-N 2 2 342.443 3.019 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(F)F)nc1 ZINC000850433319 1322248199 /nfs/dbraw/zinc/24/81/99/1322248199.db2.gz HXVZZMDRALKWAC-CZUORRHYSA-N 2 2 339.430 3.313 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1 ZINC000921797509 1322399397 /nfs/dbraw/zinc/39/93/97/1322399397.db2.gz DPRLGQYTOPWVBU-IBGZPJMESA-N 2 2 333.435 3.429 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc3c(s2)CCC3)CC1 ZINC000922714580 1322600643 /nfs/dbraw/zinc/60/06/43/1322600643.db2.gz CBRUYQRUQFNMJE-UHFFFAOYSA-N 2 2 347.450 3.181 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924619687 1323078322 /nfs/dbraw/zinc/07/83/22/1323078322.db2.gz GKMXJVUVXIOTRP-WOJBJXKFSA-N 2 2 343.515 3.275 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924619687 1323078329 /nfs/dbraw/zinc/07/83/29/1323078329.db2.gz GKMXJVUVXIOTRP-WOJBJXKFSA-N 2 2 343.515 3.275 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Br)n1 ZINC000924645722 1323090397 /nfs/dbraw/zinc/09/03/97/1323090397.db2.gz MHZVUPSDOTUCOX-GFCCVEGCSA-N 2 2 349.276 3.270 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)n1 ZINC000924693685 1323115967 /nfs/dbraw/zinc/11/59/67/1323115967.db2.gz GCSRUYWGTZMSKO-ZACQAIPSSA-N 2 2 341.503 3.144 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924731675 1323137596 /nfs/dbraw/zinc/13/75/96/1323137596.db2.gz ZEKJHBGJSOOHTJ-RBUKOAKNSA-N 2 2 344.503 3.323 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924731675 1323137599 /nfs/dbraw/zinc/13/75/99/1323137599.db2.gz ZEKJHBGJSOOHTJ-RBUKOAKNSA-N 2 2 344.503 3.323 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000924771338 1323153304 /nfs/dbraw/zinc/15/33/04/1323153304.db2.gz WWQNFZSBQDNNDY-MJGOQNOKSA-N 2 2 335.455 3.107 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000924928718 1323217639 /nfs/dbraw/zinc/21/76/39/1323217639.db2.gz YOUCFKVWHKIDNE-QZTJIDSGSA-N 2 2 327.476 3.008 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C[C@H]21 ZINC000931281341 1329084992 /nfs/dbraw/zinc/08/49/92/1329084992.db2.gz YDKRUQXNXKTRSM-FVQHAEBGSA-N 2 2 331.460 3.025 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3cccc(NC(=O)OC(C)(C)C)c3)C[C@H]21 ZINC000931281341 1329084995 /nfs/dbraw/zinc/08/49/95/1329084995.db2.gz YDKRUQXNXKTRSM-FVQHAEBGSA-N 2 2 331.460 3.025 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440464 1323402108 /nfs/dbraw/zinc/40/21/08/1323402108.db2.gz PFAKFCGVQBHHEJ-YJBOKZPZSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440464 1323402111 /nfs/dbraw/zinc/40/21/11/1323402111.db2.gz PFAKFCGVQBHHEJ-YJBOKZPZSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510366 1323458355 /nfs/dbraw/zinc/45/83/55/1323458355.db2.gz KJZSYKAYARMIQJ-GDBMZVCRSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510366 1323458366 /nfs/dbraw/zinc/45/83/66/1323458366.db2.gz KJZSYKAYARMIQJ-GDBMZVCRSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001025101450 1323896192 /nfs/dbraw/zinc/89/61/92/1323896192.db2.gz ABIXHRKDZWLSRS-IEBWSBKVSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)c1c[nH+]c[nH]1 ZINC001025138157 1323915645 /nfs/dbraw/zinc/91/56/45/1323915645.db2.gz JFMYHZVLJMSSNC-KRWDZBQOSA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273105 1324087943 /nfs/dbraw/zinc/08/79/43/1324087943.db2.gz OBCUFMHEDXMNOH-ROUUACIJSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273105 1324087949 /nfs/dbraw/zinc/08/79/49/1324087949.db2.gz OBCUFMHEDXMNOH-ROUUACIJSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459728 1324303121 /nfs/dbraw/zinc/30/31/21/1324303121.db2.gz RTXZCSFQNSIRGO-GJZGRUSLSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459728 1324303127 /nfs/dbraw/zinc/30/31/27/1324303127.db2.gz RTXZCSFQNSIRGO-GJZGRUSLSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493460 1324345253 /nfs/dbraw/zinc/34/52/53/1324345253.db2.gz OAAUPIJAGCFOLO-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493460 1324345258 /nfs/dbraw/zinc/34/52/58/1324345258.db2.gz OAAUPIJAGCFOLO-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582011 1324421472 /nfs/dbraw/zinc/42/14/72/1324421472.db2.gz MSQNDTSEXLZLMD-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582011 1324421475 /nfs/dbraw/zinc/42/14/75/1324421475.db2.gz MSQNDTSEXLZLMD-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP O=C(NC1CCC([NH2+]CC2CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001026510061 1324855990 /nfs/dbraw/zinc/85/59/90/1324855990.db2.gz SLJRIYSJTMEFRY-OPQOLIRYSA-N 2 2 344.503 3.111 20 0 EGADLP O=C(NC1CCC([NH2+]CC2CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001026510061 1324856000 /nfs/dbraw/zinc/85/60/00/1324856000.db2.gz SLJRIYSJTMEFRY-OPQOLIRYSA-N 2 2 344.503 3.111 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001026568345 1324901513 /nfs/dbraw/zinc/90/15/13/1324901513.db2.gz COCZCFKMGOTOLQ-KLAILNCOSA-N 2 2 340.471 3.039 20 0 EGADLP Cc1ccc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nn1 ZINC000853361514 1325084887 /nfs/dbraw/zinc/08/48/87/1325084887.db2.gz PUKGSNQVYLQREN-UHFFFAOYSA-N 2 2 325.460 3.307 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925551488 1325205020 /nfs/dbraw/zinc/20/50/20/1325205020.db2.gz GFVBRFFOQIRQNR-VNQPRFMTSA-N 2 2 340.414 3.163 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925565306 1325213123 /nfs/dbraw/zinc/21/31/23/1325213123.db2.gz ZTLKQKVEBCXNJE-QHAWAJNXSA-N 3 2 341.543 3.326 20 0 EGADLP O[C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000925671665 1325256872 /nfs/dbraw/zinc/25/68/72/1325256872.db2.gz DZRZXHSPJXTTKQ-LRUMIOPTSA-N 2 2 334.463 3.047 20 0 EGADLP OCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(Cl)c(Cl)c1 ZINC000925670334 1325257555 /nfs/dbraw/zinc/25/75/55/1325257555.db2.gz KPPOAWQRWSIKHJ-HBBPNKQDSA-N 2 2 341.282 3.003 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925674286 1325258691 /nfs/dbraw/zinc/25/86/91/1325258691.db2.gz HUVQZFVFYVPXSC-QGZVFWFLSA-N 2 2 330.863 3.290 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793264 1325303441 /nfs/dbraw/zinc/30/34/41/1325303441.db2.gz HYMPPXSNWQEMNM-FUHWJXTLSA-N 2 2 332.488 3.283 20 0 EGADLP Cc1cc([C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)ccc1F ZINC000925796307 1325306044 /nfs/dbraw/zinc/30/60/44/1325306044.db2.gz LTDDRQAQTQQVPG-IEBWSBKVSA-N 2 2 332.463 3.334 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000963955316 1325450181 /nfs/dbraw/zinc/45/01/81/1325450181.db2.gz KKRSCFGBYLITBP-UHFFFAOYSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ncc(C(F)(F)F)cc1Cl ZINC000926207606 1325471138 /nfs/dbraw/zinc/47/11/38/1325471138.db2.gz SZPIRKGEKHWAPZ-SECBINFHSA-N 2 2 332.757 3.381 20 0 EGADLP C[N@@H+]1CCC[C@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@@H]21 ZINC000865616429 1329720474 /nfs/dbraw/zinc/72/04/74/1329720474.db2.gz HMJQHPZHVRWHQS-ROUUACIJSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CCC[C@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@@H]21 ZINC000865616429 1329720476 /nfs/dbraw/zinc/72/04/76/1329720476.db2.gz HMJQHPZHVRWHQS-ROUUACIJSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622986 1329721568 /nfs/dbraw/zinc/72/15/68/1329721568.db2.gz HRXSDOGONWXYII-QZTJIDSGSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622986 1329721570 /nfs/dbraw/zinc/72/15/70/1329721570.db2.gz HRXSDOGONWXYII-QZTJIDSGSA-N 2 2 337.471 3.009 20 0 EGADLP CCc1cc(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000866017182 1329759183 /nfs/dbraw/zinc/75/91/83/1329759183.db2.gz JCTDEDBMZUZPQK-UHFFFAOYSA-N 2 2 336.483 3.331 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000866661968 1330138724 /nfs/dbraw/zinc/13/87/24/1330138724.db2.gz XVEMYFCFPPMHEQ-RZLSGREXSA-N 2 2 335.879 3.035 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000866661968 1330138725 /nfs/dbraw/zinc/13/87/25/1330138725.db2.gz XVEMYFCFPPMHEQ-RZLSGREXSA-N 2 2 335.879 3.035 20 0 EGADLP CCC[N@H+](Cc1coc(-c2ccccc2OC)n1)C1CC[NH2+]CC1 ZINC000866661437 1330138789 /nfs/dbraw/zinc/13/87/89/1330138789.db2.gz PXNRBOROXNFDNB-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP CCC[N@@H+](Cc1coc(-c2ccccc2OC)n1)C1CC[NH2+]CC1 ZINC000866661437 1330138790 /nfs/dbraw/zinc/13/87/90/1330138790.db2.gz PXNRBOROXNFDNB-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000866667041 1330139756 /nfs/dbraw/zinc/13/97/56/1330139756.db2.gz ZDIYRIVRUCENEL-JKSUJKDBSA-N 2 2 344.286 3.107 20 0 EGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175828 1332113843 /nfs/dbraw/zinc/11/38/43/1332113843.db2.gz IQTGVJWMLOZIAK-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175828 1332113847 /nfs/dbraw/zinc/11/38/47/1332113847.db2.gz IQTGVJWMLOZIAK-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806136 1332678492 /nfs/dbraw/zinc/67/84/92/1332678492.db2.gz AYEDDCXYEWYSKF-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806136 1332678495 /nfs/dbraw/zinc/67/84/95/1332678495.db2.gz AYEDDCXYEWYSKF-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314939 1333086245 /nfs/dbraw/zinc/08/62/45/1333086245.db2.gz KLWLAHFXFOQLEE-PBHICJAKSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314939 1333086247 /nfs/dbraw/zinc/08/62/47/1333086247.db2.gz KLWLAHFXFOQLEE-PBHICJAKSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947571458 1333176180 /nfs/dbraw/zinc/17/61/80/1333176180.db2.gz FILNMMXKTPLMPO-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947571458 1333176182 /nfs/dbraw/zinc/17/61/82/1333176182.db2.gz FILNMMXKTPLMPO-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947758879 1333253524 /nfs/dbraw/zinc/25/35/24/1333253524.db2.gz UOJPBLCYHBCGCO-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP 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ZINC000949117769 1333780438 /nfs/dbraw/zinc/78/04/38/1333780438.db2.gz KQUPPMVETLGOSN-QGZVFWFLSA-N 2 2 348.450 3.162 20 0 EGADLP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614897 1334097519 /nfs/dbraw/zinc/09/75/19/1334097519.db2.gz KZMGHBDWYMLPBM-UYAOXDASSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614897 1334097521 /nfs/dbraw/zinc/09/75/21/1334097521.db2.gz KZMGHBDWYMLPBM-UYAOXDASSA-N 2 2 345.531 3.036 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000950961720 1334161381 /nfs/dbraw/zinc/16/13/81/1334161381.db2.gz GITSBSZTQSWPAT-ZWKOTPCHSA-N 2 2 340.471 3.048 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205314803 1370718789 /nfs/dbraw/zinc/71/87/89/1370718789.db2.gz CHEGBURTPGAEIC-SMDDNHRTSA-N 2 2 341.293 3.183 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205314803 1370718792 /nfs/dbraw/zinc/71/87/92/1370718792.db2.gz CHEGBURTPGAEIC-SMDDNHRTSA-N 2 2 341.293 3.183 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)c1ccccc1 ZINC000970484774 1336311792 /nfs/dbraw/zinc/31/17/92/1336311792.db2.gz OGOOUFDZPRAWKT-SJORKVTESA-N 2 2 340.471 3.029 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528534 1336664338 /nfs/dbraw/zinc/66/43/38/1336664338.db2.gz DMFNOQPYSPFPAX-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528534 1336664339 /nfs/dbraw/zinc/66/43/39/1336664339.db2.gz DMFNOQPYSPFPAX-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528534 1336664341 /nfs/dbraw/zinc/66/43/41/1336664341.db2.gz DMFNOQPYSPFPAX-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528534 1336664343 /nfs/dbraw/zinc/66/43/43/1336664343.db2.gz DMFNOQPYSPFPAX-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001007642145 1336682374 /nfs/dbraw/zinc/68/23/74/1336682374.db2.gz RKYJOGIRIVSVFY-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001007642145 1336682377 /nfs/dbraw/zinc/68/23/77/1336682377.db2.gz RKYJOGIRIVSVFY-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088532 1336767338 /nfs/dbraw/zinc/76/73/38/1336767338.db2.gz MEPGXDVWRLRDEN-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088532 1336767339 /nfs/dbraw/zinc/76/73/39/1336767339.db2.gz MEPGXDVWRLRDEN-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221975 1338962157 /nfs/dbraw/zinc/96/21/57/1338962157.db2.gz KJSPBIBZWVKKKD-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221975 1338962160 /nfs/dbraw/zinc/96/21/60/1338962160.db2.gz KJSPBIBZWVKKKD-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+][C@H](C)c4ccccc4)C3)ccn12 ZINC001018848701 1339737783 /nfs/dbraw/zinc/73/77/83/1339737783.db2.gz IQWKPZDKSYFVSY-APWZRJJASA-N 2 2 348.450 3.208 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029767409 1341066838 /nfs/dbraw/zinc/06/68/38/1341066838.db2.gz RJYPLCZGFLXLOO-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029767409 1341066841 /nfs/dbraw/zinc/06/68/41/1341066841.db2.gz RJYPLCZGFLXLOO-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@H+](C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001029798983 1341076731 /nfs/dbraw/zinc/07/67/31/1341076731.db2.gz USSWYYNUCNRQDG-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001029798983 1341076732 /nfs/dbraw/zinc/07/67/32/1341076732.db2.gz USSWYYNUCNRQDG-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192397 1341748757 /nfs/dbraw/zinc/74/87/57/1341748757.db2.gz QZHMHYDCZMYGJM-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192397 1341748758 /nfs/dbraw/zinc/74/87/58/1341748758.db2.gz QZHMHYDCZMYGJM-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192896 1341749282 /nfs/dbraw/zinc/74/92/82/1341749282.db2.gz YWYNXGQWCVHSRQ-QAPCUYQASA-N 2 2 348.450 3.470 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192896 1341749283 /nfs/dbraw/zinc/74/92/83/1341749283.db2.gz YWYNXGQWCVHSRQ-QAPCUYQASA-N 2 2 348.450 3.470 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033594236 1341888721 /nfs/dbraw/zinc/88/87/21/1341888721.db2.gz LQZCCOXHTSGSFC-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033594236 1341888722 /nfs/dbraw/zinc/88/87/22/1341888722.db2.gz LQZCCOXHTSGSFC-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261350 1342353495 /nfs/dbraw/zinc/35/34/95/1342353495.db2.gz WWXGYQLNKLUHDU-GOSISDBHSA-N 2 2 348.535 3.334 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261350 1342353497 /nfs/dbraw/zinc/35/34/97/1342353497.db2.gz WWXGYQLNKLUHDU-GOSISDBHSA-N 2 2 348.535 3.334 20 0 EGADLP CC[N@H+](CCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209373332 1372080505 /nfs/dbraw/zinc/08/05/05/1372080505.db2.gz MRERZHIBBKBRJN-UHFFFAOYSA-N 2 2 327.513 3.098 20 0 EGADLP CC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209373332 1372080509 /nfs/dbraw/zinc/08/05/09/1372080509.db2.gz MRERZHIBBKBRJN-UHFFFAOYSA-N 2 2 327.513 3.098 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001035112911 1342936476 /nfs/dbraw/zinc/93/64/76/1342936476.db2.gz ARBVDEJZHFDRRK-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001036452698 1343495343 /nfs/dbraw/zinc/49/53/43/1343495343.db2.gz ADABCFGJZIYHAU-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036555159 1343551894 /nfs/dbraw/zinc/55/18/94/1343551894.db2.gz RBUIJWXVSJPGNT-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036555159 1343551896 /nfs/dbraw/zinc/55/18/96/1343551896.db2.gz RBUIJWXVSJPGNT-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001036579602 1343563387 /nfs/dbraw/zinc/56/33/87/1343563387.db2.gz PGTBKRIWKUZMMA-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037158597 1344008592 /nfs/dbraw/zinc/00/85/92/1344008592.db2.gz UCHRKAWSCURTCP-QZTJIDSGSA-N 2 2 346.519 3.106 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037970853 1344211330 /nfs/dbraw/zinc/21/13/30/1344211330.db2.gz UVVTZHGTGJLRHI-MSOLQXFVSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414161 1344417134 /nfs/dbraw/zinc/41/71/34/1344417134.db2.gz AIHJTDIWMVWFCQ-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1CCC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414161 1344417139 /nfs/dbraw/zinc/41/71/39/1344417139.db2.gz AIHJTDIWMVWFCQ-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223711 1344940986 /nfs/dbraw/zinc/94/09/86/1344940986.db2.gz XZGOUVVQDYBTQH-QZTJIDSGSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223711 1344940989 /nfs/dbraw/zinc/94/09/89/1344940989.db2.gz XZGOUVVQDYBTQH-QZTJIDSGSA-N 2 2 344.503 3.012 20 0 EGADLP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040257586 1345397890 /nfs/dbraw/zinc/39/78/90/1345397890.db2.gz GNHBJNLJWOHZNS-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040257586 1345397893 /nfs/dbraw/zinc/39/78/93/1345397893.db2.gz GNHBJNLJWOHZNS-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494342 1345519591 /nfs/dbraw/zinc/51/95/91/1345519591.db2.gz WUPSVEBPAJNKKX-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040494342 1345519597 /nfs/dbraw/zinc/51/95/97/1345519597.db2.gz WUPSVEBPAJNKKX-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868491 1345590353 /nfs/dbraw/zinc/59/03/53/1345590353.db2.gz SJVNHIJNPDSWKH-MSOLQXFVSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041785949 1345849647 /nfs/dbraw/zinc/84/96/47/1345849647.db2.gz BPMRTVWAVDEEHF-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041785949 1345849649 /nfs/dbraw/zinc/84/96/49/1345849649.db2.gz BPMRTVWAVDEEHF-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1cccc(C)c1C[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043091310 1346139460 /nfs/dbraw/zinc/13/94/60/1346139460.db2.gz IYYZMDATSRNMCG-UHFFFAOYSA-N 2 2 348.450 3.136 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044624195 1346385550 /nfs/dbraw/zinc/38/55/50/1346385550.db2.gz FKQTUMPSQPFBAO-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044624195 1346385551 /nfs/dbraw/zinc/38/55/51/1346385551.db2.gz FKQTUMPSQPFBAO-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001048324255 1347518474 /nfs/dbraw/zinc/51/84/74/1347518474.db2.gz XCYHIMSIHWBQFE-BEFAXECRSA-N 2 2 343.515 3.495 20 0 EGADLP CC(C)(C)CC[N@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048895813 1347678862 /nfs/dbraw/zinc/67/88/62/1347678862.db2.gz WGMMCGJAVVDDGL-IYBDPMFKSA-N 2 2 340.471 3.003 20 0 EGADLP CC(C)(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048895813 1347678864 /nfs/dbraw/zinc/67/88/64/1347678864.db2.gz WGMMCGJAVVDDGL-IYBDPMFKSA-N 2 2 340.471 3.003 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553219 1347905724 /nfs/dbraw/zinc/90/57/24/1347905724.db2.gz UDTSOVVJRFTQSE-ZWKOTPCHSA-N 2 2 326.444 3.042 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553219 1347905727 /nfs/dbraw/zinc/90/57/27/1347905727.db2.gz UDTSOVVJRFTQSE-ZWKOTPCHSA-N 2 2 326.444 3.042 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759962 1348005128 /nfs/dbraw/zinc/00/51/28/1348005128.db2.gz VCQOAZRNZGGQMN-FGTMMUONSA-N 2 2 346.519 3.336 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759962 1348005130 /nfs/dbraw/zinc/00/51/30/1348005130.db2.gz VCQOAZRNZGGQMN-FGTMMUONSA-N 2 2 346.519 3.336 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700763 1348640914 /nfs/dbraw/zinc/64/09/14/1348640914.db2.gz SLCMFPCECKQQEZ-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700763 1348640917 /nfs/dbraw/zinc/64/09/17/1348640917.db2.gz SLCMFPCECKQQEZ-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084967 1348905878 /nfs/dbraw/zinc/90/58/78/1348905878.db2.gz ZNNBOXFGKKUORH-ZWKOTPCHSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084967 1348905881 /nfs/dbraw/zinc/90/58/81/1348905881.db2.gz ZNNBOXFGKKUORH-ZWKOTPCHSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054798602 1349465314 /nfs/dbraw/zinc/46/53/14/1349465314.db2.gz XKTDVZKZZPJTRK-ACJLOTCBSA-N 2 2 340.471 3.049 20 0 EGADLP CC1([NH+]2CCN(Cc3cc(Cl)sc3Cl)CC2)CC[NH2+]CC1 ZINC001235816759 1376898167 /nfs/dbraw/zinc/89/81/67/1376898167.db2.gz YQMLLTYMMGZYQX-UHFFFAOYSA-N 2 2 348.343 3.315 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001082492447 1358050474 /nfs/dbraw/zinc/05/04/74/1358050474.db2.gz VAEZDNUJUHFUTR-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001183575584 1387320399 /nfs/dbraw/zinc/32/03/99/1387320399.db2.gz ZROLPGZQTZTHSJ-YLJYHZDGSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001323546182 1387384925 /nfs/dbraw/zinc/38/49/25/1387384925.db2.gz QIKYTNJDNDSWAQ-OAHLLOKOSA-N 2 2 344.528 3.136 20 0 EGADLP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948108 1359269471 /nfs/dbraw/zinc/26/94/71/1359269471.db2.gz PWRCWOPCSPTOHE-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948108 1359269472 /nfs/dbraw/zinc/26/94/72/1359269472.db2.gz PWRCWOPCSPTOHE-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+]1CCC[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106785 1387393997 /nfs/dbraw/zinc/39/39/97/1387393997.db2.gz VZHMSMIUCVMMQS-XPWALMASSA-N 2 2 349.522 3.338 20 0 EGADLP C[N@H+]1CCC[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106785 1387394001 /nfs/dbraw/zinc/39/40/01/1387394001.db2.gz VZHMSMIUCVMMQS-XPWALMASSA-N 2 2 349.522 3.338 20 0 EGADLP C[NH+]1CCC[C@@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106785 1387394006 /nfs/dbraw/zinc/39/40/06/1387394006.db2.gz VZHMSMIUCVMMQS-XPWALMASSA-N 2 2 349.522 3.338 20 0 EGADLP C[NH+]1CCC[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106785 1387394011 /nfs/dbraw/zinc/39/40/11/1387394011.db2.gz VZHMSMIUCVMMQS-XPWALMASSA-N 2 2 349.522 3.338 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001088405239 1359877526 /nfs/dbraw/zinc/87/75/26/1359877526.db2.gz RNSSKXGMSWCESR-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP CC1(C)C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CC2CC2)C1 ZINC001089421709 1360416124 /nfs/dbraw/zinc/41/61/24/1360416124.db2.gz XDVICMPRRHQLSW-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CC2CC2)C1 ZINC001089421709 1360416125 /nfs/dbraw/zinc/41/61/25/1360416125.db2.gz XDVICMPRRHQLSW-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184533584 1387485718 /nfs/dbraw/zinc/48/57/18/1387485718.db2.gz GZJRXMRHFGASRU-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184533584 1387485723 /nfs/dbraw/zinc/48/57/23/1387485723.db2.gz GZJRXMRHFGASRU-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP COc1ccc(C[C@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001323928091 1387497629 /nfs/dbraw/zinc/49/76/29/1387497629.db2.gz ARCYNRQWYILVNZ-AWEZNQCLSA-N 2 2 333.501 3.276 20 0 EGADLP COc1ccc(C[C@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001323928091 1387497630 /nfs/dbraw/zinc/49/76/30/1387497630.db2.gz ARCYNRQWYILVNZ-AWEZNQCLSA-N 2 2 333.501 3.276 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@@H+]4CCC(C)C)ccn12 ZINC001095414455 1362132551 /nfs/dbraw/zinc/13/25/51/1362132551.db2.gz YNXZTRMIGCXIIE-SQNIBIBYSA-N 2 2 340.471 3.024 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3[N@H+]4CCC(C)C)ccn12 ZINC001095414455 1362132553 /nfs/dbraw/zinc/13/25/53/1362132553.db2.gz YNXZTRMIGCXIIE-SQNIBIBYSA-N 2 2 340.471 3.024 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1 ZINC001324212249 1387559161 /nfs/dbraw/zinc/55/91/61/1387559161.db2.gz BSNJWJBDRUWQPF-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1 ZINC001324212249 1387559166 /nfs/dbraw/zinc/55/91/66/1387559166.db2.gz BSNJWJBDRUWQPF-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619726 1362187447 /nfs/dbraw/zinc/18/74/47/1362187447.db2.gz RWGWGRJVTRPIMC-AYBZRNKSSA-N 2 2 340.471 3.334 20 0 EGADLP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619726 1362187450 /nfs/dbraw/zinc/18/74/50/1362187450.db2.gz RWGWGRJVTRPIMC-AYBZRNKSSA-N 2 2 340.471 3.334 20 0 EGADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001095619617 1362187750 /nfs/dbraw/zinc/18/77/50/1362187750.db2.gz MFZSTCBHFZPQGE-KPFFTGBYSA-N 2 2 346.434 3.098 20 0 EGADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001095619617 1362187752 /nfs/dbraw/zinc/18/77/52/1362187752.db2.gz MFZSTCBHFZPQGE-KPFFTGBYSA-N 2 2 346.434 3.098 20 0 EGADLP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098814412 1363479351 /nfs/dbraw/zinc/47/93/51/1363479351.db2.gz PRWAXNYFSAIEQP-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001098835791 1363487547 /nfs/dbraw/zinc/48/75/47/1363487547.db2.gz JGGSSCJFADQOHZ-PXNSSMCTSA-N 2 2 340.471 3.027 20 0 EGADLP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001098835791 1363487550 /nfs/dbraw/zinc/48/75/50/1363487550.db2.gz JGGSSCJFADQOHZ-PXNSSMCTSA-N 2 2 340.471 3.027 20 0 EGADLP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115576 1363631877 /nfs/dbraw/zinc/63/18/77/1363631877.db2.gz HMCONYGHNPEUOH-SJORKVTESA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115576 1363631878 /nfs/dbraw/zinc/63/18/78/1363631878.db2.gz HMCONYGHNPEUOH-SJORKVTESA-N 2 2 334.508 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099323839 1363750521 /nfs/dbraw/zinc/75/05/21/1363750521.db2.gz BOXGBRNUOTUGLC-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099323839 1363750524 /nfs/dbraw/zinc/75/05/24/1363750524.db2.gz BOXGBRNUOTUGLC-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357977 1363770886 /nfs/dbraw/zinc/77/08/86/1363770886.db2.gz CZEWMRKFAJLLIE-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099357977 1363770891 /nfs/dbraw/zinc/77/08/91/1363770891.db2.gz CZEWMRKFAJLLIE-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CCC(CC)C[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584231 1364636099 /nfs/dbraw/zinc/63/60/99/1364636099.db2.gz IHSVBWABWZFBOC-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+](CCCC(C)C)C[C@H]2C)c[nH+]1 ZINC001102083321 1364844811 /nfs/dbraw/zinc/84/48/11/1364844811.db2.gz MDIKPJPQMXWZPG-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](CCCC(C)C)C[C@H]2C)c[nH+]1 ZINC001102083321 1364844815 /nfs/dbraw/zinc/84/48/15/1364844815.db2.gz MDIKPJPQMXWZPG-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185491925 1387730662 /nfs/dbraw/zinc/73/06/62/1387730662.db2.gz JRFUBOZRLOFKLB-DLBZAZTESA-N 2 2 348.535 3.342 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479337 1365587487 /nfs/dbraw/zinc/58/74/87/1365587487.db2.gz LKKWBLQDHUVDMP-FGTMMUONSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479337 1365587490 /nfs/dbraw/zinc/58/74/90/1365587490.db2.gz LKKWBLQDHUVDMP-FGTMMUONSA-N 2 2 334.508 3.099 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103677045 1365722706 /nfs/dbraw/zinc/72/27/06/1365722706.db2.gz HSJYEMJITLRCPG-LZLYRXPVSA-N 2 2 348.535 3.017 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001103677045 1365722710 /nfs/dbraw/zinc/72/27/10/1365722710.db2.gz HSJYEMJITLRCPG-LZLYRXPVSA-N 2 2 348.535 3.017 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274696 1365974682 /nfs/dbraw/zinc/97/46/82/1365974682.db2.gz VRXAGPBTXJIZQV-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274696 1365974685 /nfs/dbraw/zinc/97/46/85/1365974685.db2.gz VRXAGPBTXJIZQV-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001104274858 1365974738 /nfs/dbraw/zinc/97/47/38/1365974738.db2.gz YIRJKABHYMAUIO-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001104274858 1365974740 /nfs/dbraw/zinc/97/47/40/1365974740.db2.gz YIRJKABHYMAUIO-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001104435824 1366028106 /nfs/dbraw/zinc/02/81/06/1366028106.db2.gz IFCCJCZTFUUJLG-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104911665 1366220581 /nfs/dbraw/zinc/22/05/81/1366220581.db2.gz DASWMPCPOCHMKJ-KGVXHEBISA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570479 1366537854 /nfs/dbraw/zinc/53/78/54/1366537854.db2.gz RNGHJKOCHXKZTI-DLBZAZTESA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105582474 1366543414 /nfs/dbraw/zinc/54/34/14/1366543414.db2.gz SWWAJMCIJDBNRW-GOSISDBHSA-N 2 2 346.519 3.213 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001109222544 1367011359 /nfs/dbraw/zinc/01/13/59/1367011359.db2.gz ARUAIEZZTMVORZ-SQNIBIBYSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001109222544 1367011363 /nfs/dbraw/zinc/01/13/63/1367011363.db2.gz ARUAIEZZTMVORZ-SQNIBIBYSA-N 2 2 344.503 3.034 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107563684 1367045648 /nfs/dbraw/zinc/04/56/48/1367045648.db2.gz NDECTWLEXCAAOI-NLWGTHIKSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107563684 1367045652 /nfs/dbraw/zinc/04/56/52/1367045652.db2.gz NDECTWLEXCAAOI-NLWGTHIKSA-N 2 2 346.519 3.241 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818883 1367359756 /nfs/dbraw/zinc/35/97/56/1367359756.db2.gz SZWDQVKEMSQCJF-RBUKOAKNSA-N 2 2 348.535 3.439 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818883 1367359762 /nfs/dbraw/zinc/35/97/62/1367359762.db2.gz SZWDQVKEMSQCJF-RBUKOAKNSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711818 1367549595 /nfs/dbraw/zinc/54/95/95/1367549595.db2.gz SOGNYHOXLKWTLK-XIRDDKMYSA-N 2 2 340.471 3.192 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577270 1367823360 /nfs/dbraw/zinc/82/33/60/1367823360.db2.gz FASHYIZIWQOPBF-ZGKJDNBHSA-N 2 2 332.492 3.113 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001192577270 1367823362 /nfs/dbraw/zinc/82/33/62/1367823362.db2.gz FASHYIZIWQOPBF-ZGKJDNBHSA-N 2 2 332.492 3.113 20 0 EGADLP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707850 1367940715 /nfs/dbraw/zinc/94/07/15/1367940715.db2.gz XQKQRBIRYDMYOP-WDYWZEPKSA-N 2 2 344.503 3.004 20 0 EGADLP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707850 1367940717 /nfs/dbraw/zinc/94/07/17/1367940717.db2.gz XQKQRBIRYDMYOP-WDYWZEPKSA-N 2 2 344.503 3.004 20 0 EGADLP CC1CCC(C[N@@H+]2CCCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001198368532 1369017248 /nfs/dbraw/zinc/01/72/48/1369017248.db2.gz YZKAQMWFIHGDGW-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC1CCC(C[N@H+]2CCCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001198368532 1369017253 /nfs/dbraw/zinc/01/72/53/1369017253.db2.gz YZKAQMWFIHGDGW-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001199865105 1369282510 /nfs/dbraw/zinc/28/25/10/1369282510.db2.gz OZQAYYMLCGWZGY-LJQANCHMSA-N 2 2 339.483 3.482 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001199865105 1369282515 /nfs/dbraw/zinc/28/25/15/1369282515.db2.gz OZQAYYMLCGWZGY-LJQANCHMSA-N 2 2 339.483 3.482 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1)[NH+](CC)CC ZINC001113341056 1369358963 /nfs/dbraw/zinc/35/89/63/1369358963.db2.gz JBQFZJBNCXTMNI-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183051 1369492250 /nfs/dbraw/zinc/49/22/50/1369492250.db2.gz SBNXYVBQBUYWOT-VOFKWLDRSA-N 2 2 346.519 3.407 20 0 EGADLP COCCCCC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201712498 1369609967 /nfs/dbraw/zinc/60/99/67/1369609967.db2.gz OFWSJAZLMPPGFI-UHFFFAOYSA-N 2 2 347.503 3.018 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)[C@@H]1CCOC1 ZINC001202176823 1369708373 /nfs/dbraw/zinc/70/83/73/1369708373.db2.gz ZHEHHRXAUOLSGO-GDBMZVCRSA-N 2 2 349.862 3.130 20 0 EGADLP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001202930881 1369929148 /nfs/dbraw/zinc/92/91/48/1369929148.db2.gz ZTRPVCFRDPBFPO-IAGOWNOFSA-N 2 2 340.471 3.073 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238059 1370035505 /nfs/dbraw/zinc/03/55/05/1370035505.db2.gz BDQOHZLCQSJMTE-UBZMYNMCSA-N 2 2 344.503 3.037 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(C)c1C ZINC001203726712 1370237118 /nfs/dbraw/zinc/23/71/18/1370237118.db2.gz JUSIETQOOGMXMQ-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815861 1370275282 /nfs/dbraw/zinc/27/52/82/1370275282.db2.gz RLMKEYTVJGOWEQ-QZTJIDSGSA-N 2 2 346.519 3.117 20 0 EGADLP Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001204269456 1370428338 /nfs/dbraw/zinc/42/83/38/1370428338.db2.gz CJPAIVMIMPYRTJ-SFHVURJKSA-N 2 2 344.459 3.046 20 0 EGADLP Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001204269456 1370428341 /nfs/dbraw/zinc/42/83/41/1370428341.db2.gz CJPAIVMIMPYRTJ-SFHVURJKSA-N 2 2 344.459 3.046 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204290600 1370432756 /nfs/dbraw/zinc/43/27/56/1370432756.db2.gz UZCKSNJMYUFYQB-QZTJIDSGSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cn2cc(Nc3cccc(CC[NH+]4CCOCC4)c3)ccc2[nH+]1 ZINC001204344379 1370448965 /nfs/dbraw/zinc/44/89/65/1370448965.db2.gz ZHMLJFSDRMBILT-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP COCC[N@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001204424911 1370473634 /nfs/dbraw/zinc/47/36/34/1370473634.db2.gz HJQAFVNQQGSIJR-UHFFFAOYSA-N 2 2 346.393 3.128 20 0 EGADLP COCC[N@@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC001204424911 1370473637 /nfs/dbraw/zinc/47/36/37/1370473637.db2.gz HJQAFVNQQGSIJR-UHFFFAOYSA-N 2 2 346.393 3.128 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204771041 1370572392 /nfs/dbraw/zinc/57/23/92/1370572392.db2.gz MGFRYWLBJUGZNZ-HXUWFJFHSA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204771041 1370572396 /nfs/dbraw/zinc/57/23/96/1370572396.db2.gz MGFRYWLBJUGZNZ-HXUWFJFHSA-N 2 2 325.456 3.386 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580745 1370583404 /nfs/dbraw/zinc/58/34/04/1370583404.db2.gz MHBVOOSUWULOLW-HZPDHXFCSA-N 2 2 332.492 3.112 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580745 1370583407 /nfs/dbraw/zinc/58/34/07/1370583407.db2.gz MHBVOOSUWULOLW-HZPDHXFCSA-N 2 2 332.492 3.112 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001205087670 1370647674 /nfs/dbraw/zinc/64/76/74/1370647674.db2.gz GTPZLEJRVPASGN-NHYWBVRUSA-N 2 2 338.377 3.407 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001205087670 1370647675 /nfs/dbraw/zinc/64/76/75/1370647675.db2.gz GTPZLEJRVPASGN-NHYWBVRUSA-N 2 2 338.377 3.407 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205119118 1370655858 /nfs/dbraw/zinc/65/58/58/1370655858.db2.gz LBQSBZLXULHMJJ-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273822 1370703212 /nfs/dbraw/zinc/70/32/12/1370703212.db2.gz PVRNPEQJJUDILM-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205273822 1370703219 /nfs/dbraw/zinc/70/32/19/1370703219.db2.gz PVRNPEQJJUDILM-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)CC1 ZINC001205297077 1370710952 /nfs/dbraw/zinc/71/09/52/1370710952.db2.gz YNBSEQGNPQLWOX-OAHLLOKOSA-N 2 2 342.365 3.165 20 0 EGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)CC1 ZINC001205297077 1370710956 /nfs/dbraw/zinc/71/09/56/1370710956.db2.gz YNBSEQGNPQLWOX-OAHLLOKOSA-N 2 2 342.365 3.165 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001115790192 1370771847 /nfs/dbraw/zinc/77/18/47/1370771847.db2.gz KDFRVXDPYMNLOC-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001205578609 1370798665 /nfs/dbraw/zinc/79/86/65/1370798665.db2.gz GVCSIOVOKPMBEO-QGZVFWFLSA-N 3 2 336.842 3.179 20 0 EGADLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001205578609 1370798669 /nfs/dbraw/zinc/79/86/69/1370798669.db2.gz GVCSIOVOKPMBEO-QGZVFWFLSA-N 3 2 336.842 3.179 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001205650870 1370827462 /nfs/dbraw/zinc/82/74/62/1370827462.db2.gz WEFHLXULRAWQPH-BEFAXECRSA-N 2 2 332.488 3.446 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001205650870 1370827468 /nfs/dbraw/zinc/82/74/68/1370827468.db2.gz WEFHLXULRAWQPH-BEFAXECRSA-N 2 2 332.488 3.446 20 0 EGADLP COc1cc[nH+]c(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001205791441 1370872162 /nfs/dbraw/zinc/87/21/62/1370872162.db2.gz QZPQRMMXSXSQHY-UHFFFAOYSA-N 2 2 325.412 3.155 20 0 EGADLP Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccs2)n1 ZINC001206280949 1371011274 /nfs/dbraw/zinc/01/12/74/1371011274.db2.gz ZJWJRIJFAASFJI-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccs2)n1 ZINC001206280949 1371011279 /nfs/dbraw/zinc/01/12/79/1371011279.db2.gz ZJWJRIJFAASFJI-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2cccs2)n1 ZINC001206280949 1371011282 /nfs/dbraw/zinc/01/12/82/1371011282.db2.gz ZJWJRIJFAASFJI-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2cccs2)n1 ZINC001206280949 1371011286 /nfs/dbraw/zinc/01/12/86/1371011286.db2.gz ZJWJRIJFAASFJI-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001206280954 1371011389 /nfs/dbraw/zinc/01/13/89/1371011389.db2.gz ZJWJRIJFAASFJI-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001206280954 1371011394 /nfs/dbraw/zinc/01/13/94/1371011394.db2.gz ZJWJRIJFAASFJI-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001206280954 1371011396 /nfs/dbraw/zinc/01/13/96/1371011396.db2.gz ZJWJRIJFAASFJI-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001206280954 1371011403 /nfs/dbraw/zinc/01/14/03/1371011403.db2.gz ZJWJRIJFAASFJI-ZYSHUDEJSA-N 2 2 344.528 3.214 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206285882 1371012897 /nfs/dbraw/zinc/01/28/97/1371012897.db2.gz PEASASWLQRQYHQ-INIZCTEOSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206285882 1371012901 /nfs/dbraw/zinc/01/29/01/1371012901.db2.gz PEASASWLQRQYHQ-INIZCTEOSA-N 2 2 334.467 3.351 20 0 EGADLP CCC(CC)C[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427204 1371050843 /nfs/dbraw/zinc/05/08/43/1371050843.db2.gz BGYTYWLSFUMUOA-INIZCTEOSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427576 1371051672 /nfs/dbraw/zinc/05/16/72/1371051672.db2.gz IYRKURBSNYQLBD-ROUUACIJSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1cncc(Br)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573163 1371097581 /nfs/dbraw/zinc/09/75/81/1371097581.db2.gz IZNMVHGDCKOWCX-OAHLLOKOSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1cncc(Br)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206573163 1371097582 /nfs/dbraw/zinc/09/75/82/1371097582.db2.gz IZNMVHGDCKOWCX-OAHLLOKOSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206641469 1371116366 /nfs/dbraw/zinc/11/63/66/1371116366.db2.gz XWLVIQWMMYBCIK-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206641469 1371116369 /nfs/dbraw/zinc/11/63/69/1371116369.db2.gz XWLVIQWMMYBCIK-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001206660725 1371124041 /nfs/dbraw/zinc/12/40/41/1371124041.db2.gz HATCCDPFZQPOMQ-TZIWHRDSSA-N 2 2 329.532 3.361 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001206738101 1371149455 /nfs/dbraw/zinc/14/94/55/1371149455.db2.gz WISNIEUEWVRKCW-UHFFFAOYSA-N 2 2 326.444 3.032 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)n1C ZINC001206796085 1371169529 /nfs/dbraw/zinc/16/95/29/1371169529.db2.gz PQQQDHAUNSHSMA-UHFFFAOYSA-N 2 2 345.830 3.044 20 0 EGADLP Cc1[nH+]cc(CN(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)n1C ZINC001206794116 1371169882 /nfs/dbraw/zinc/16/98/82/1371169882.db2.gz JJOXETXVSZNRTM-OXJNMPFZSA-N 2 2 326.488 3.071 20 0 EGADLP Cc1[nH+]cc(CN(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)n1C ZINC001206794116 1371169884 /nfs/dbraw/zinc/16/98/84/1371169884.db2.gz JJOXETXVSZNRTM-OXJNMPFZSA-N 2 2 326.488 3.071 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170743 /nfs/dbraw/zinc/17/07/43/1371170743.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170748 /nfs/dbraw/zinc/17/07/48/1371170748.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170751 /nfs/dbraw/zinc/17/07/51/1371170751.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797120 1371170756 /nfs/dbraw/zinc/17/07/56/1371170756.db2.gz UPXRNXIYRRMICD-PMACEKPBSA-N 3 2 338.499 3.073 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206809411 1371176186 /nfs/dbraw/zinc/17/61/86/1371176186.db2.gz LPOCCODVCFUKQZ-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206809411 1371176189 /nfs/dbraw/zinc/17/61/89/1371176189.db2.gz LPOCCODVCFUKQZ-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NC(=O)OC(C)(C)C ZINC001119327611 1371313494 /nfs/dbraw/zinc/31/34/94/1371313494.db2.gz IMOPUVLVLOVNGU-DOTOQJQBSA-N 2 2 344.459 3.127 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001207282647 1371350574 /nfs/dbraw/zinc/35/05/74/1371350574.db2.gz MRESGDDPOCXRGS-UHFFFAOYSA-N 2 2 332.488 3.178 20 0 EGADLP Cc1nc(Cl)c(CC[N@H+](C)CCC[NH+]2CCCC2)c(Cl)n1 ZINC001207335995 1371364398 /nfs/dbraw/zinc/36/43/98/1371364398.db2.gz AIWLDIWDRWHKKM-UHFFFAOYSA-N 2 2 331.291 3.052 20 0 EGADLP Cc1nc(Cl)c(CC[N@@H+](C)CCC[NH+]2CCCC2)c(Cl)n1 ZINC001207335995 1371364404 /nfs/dbraw/zinc/36/44/04/1371364404.db2.gz AIWLDIWDRWHKKM-UHFFFAOYSA-N 2 2 331.291 3.052 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365615 1371550199 /nfs/dbraw/zinc/55/01/99/1371550199.db2.gz UKWLQRUBVHQPHK-ROUUACIJSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365615 1371550201 /nfs/dbraw/zinc/55/02/01/1371550201.db2.gz UKWLQRUBVHQPHK-ROUUACIJSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413961 1371565971 /nfs/dbraw/zinc/56/59/71/1371565971.db2.gz QSISDUNMBRSPGF-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413961 1371565975 /nfs/dbraw/zinc/56/59/75/1371565975.db2.gz QSISDUNMBRSPGF-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145339 1371608940 /nfs/dbraw/zinc/60/89/40/1371608940.db2.gz UWEBQKZPTKBRNT-KFWWJZLASA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145339 1371608944 /nfs/dbraw/zinc/60/89/44/1371608944.db2.gz UWEBQKZPTKBRNT-KFWWJZLASA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208145339 1371608949 /nfs/dbraw/zinc/60/89/49/1371608949.db2.gz UWEBQKZPTKBRNT-KFWWJZLASA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208145339 1371608951 /nfs/dbraw/zinc/60/89/51/1371608951.db2.gz UWEBQKZPTKBRNT-KFWWJZLASA-N 2 2 325.547 3.181 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208185833 1371625618 /nfs/dbraw/zinc/62/56/18/1371625618.db2.gz IVTCNELBVRKMAH-OYRHEFFESA-N 3 2 341.543 3.172 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208185833 1371625629 /nfs/dbraw/zinc/62/56/29/1371625629.db2.gz IVTCNELBVRKMAH-OYRHEFFESA-N 3 2 341.543 3.172 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208185833 1371625646 /nfs/dbraw/zinc/62/56/46/1371625646.db2.gz IVTCNELBVRKMAH-OYRHEFFESA-N 3 2 341.543 3.172 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208185833 1371625681 /nfs/dbraw/zinc/62/56/81/1371625681.db2.gz IVTCNELBVRKMAH-OYRHEFFESA-N 3 2 341.543 3.172 20 0 EGADLP CC/C=C\CCCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001208190022 1371629205 /nfs/dbraw/zinc/62/92/05/1371629205.db2.gz JURWYJBAQPSFLJ-ARJAWSKDSA-N 2 2 342.491 3.255 20 0 EGADLP CC/C=C\CCCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001208190022 1371629207 /nfs/dbraw/zinc/62/92/07/1371629207.db2.gz JURWYJBAQPSFLJ-ARJAWSKDSA-N 2 2 342.491 3.255 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387077 1371746596 /nfs/dbraw/zinc/74/65/96/1371746596.db2.gz MRZNXHKTLQBMPZ-ASIGSXEYSA-N 2 2 346.519 3.407 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551825 1371813878 /nfs/dbraw/zinc/81/38/78/1371813878.db2.gz PAZOJMMRDROGTE-BDUNBXCCSA-N 2 2 340.471 3.275 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)C(F)(F)F)[C@H]2C ZINC001208889574 1371933777 /nfs/dbraw/zinc/93/37/77/1371933777.db2.gz AANDCONLSYAJOK-STQMWFEESA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)C(F)(F)F)[C@H]2C ZINC001208889574 1371933780 /nfs/dbraw/zinc/93/37/80/1371933780.db2.gz AANDCONLSYAJOK-STQMWFEESA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H](C)C(F)(F)F)[C@H]2C ZINC001208889574 1371933785 /nfs/dbraw/zinc/93/37/85/1371933785.db2.gz AANDCONLSYAJOK-STQMWFEESA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H](C)C(F)(F)F)[C@H]2C ZINC001208889574 1371933792 /nfs/dbraw/zinc/93/37/92/1371933792.db2.gz AANDCONLSYAJOK-STQMWFEESA-N 2 2 332.414 3.298 20 0 EGADLP COCOCCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001209030582 1371977497 /nfs/dbraw/zinc/97/74/97/1371977497.db2.gz WXMGJRSVXKEFER-UHFFFAOYSA-N 2 2 349.862 3.021 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]2C ZINC001209378265 1372082538 /nfs/dbraw/zinc/08/25/38/1372082538.db2.gz COGOVRIOMHSENI-XMTFNYHQSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]2C ZINC001209378265 1372082543 /nfs/dbraw/zinc/08/25/43/1372082543.db2.gz COGOVRIOMHSENI-XMTFNYHQSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]2C ZINC001209378265 1372082547 /nfs/dbraw/zinc/08/25/47/1372082547.db2.gz COGOVRIOMHSENI-XMTFNYHQSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]2C ZINC001209378265 1372082551 /nfs/dbraw/zinc/08/25/51/1372082551.db2.gz COGOVRIOMHSENI-XMTFNYHQSA-N 2 2 348.535 3.304 20 0 EGADLP C[C@@H](CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001121847724 1372100975 /nfs/dbraw/zinc/10/09/75/1372100975.db2.gz DUAKTUSDLOWMOQ-AKJOHPPZSA-N 2 2 346.519 3.287 20 0 EGADLP CC[C@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001209471081 1372114711 /nfs/dbraw/zinc/11/47/11/1372114711.db2.gz AEXTVYYPNBZBHJ-MRXNPFEDSA-N 2 2 339.524 3.240 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC001209762833 1372187894 /nfs/dbraw/zinc/18/78/94/1372187894.db2.gz DBGKONLJIDMKCM-UHFFFAOYSA-N 2 2 342.462 3.475 20 0 EGADLP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438592 1372353099 /nfs/dbraw/zinc/35/30/99/1372353099.db2.gz UWEUKZKKIZAWRS-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214966793 1373149242 /nfs/dbraw/zinc/14/92/42/1373149242.db2.gz CRMZPHGITNODCS-RDTXWAMCSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964795 1373149357 /nfs/dbraw/zinc/14/93/57/1373149357.db2.gz SDIGNXUXDSSTTM-RDTXWAMCSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001215742983 1373234931 /nfs/dbraw/zinc/23/49/31/1373234931.db2.gz PIMAWTBBDBZXMB-UHFFFAOYSA-N 2 2 340.471 3.407 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001129891374 1373432626 /nfs/dbraw/zinc/43/26/26/1373432626.db2.gz JLKFVUNDAPKAPU-ZTFGCOKTSA-N 2 2 340.471 3.104 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001129891374 1373432629 /nfs/dbraw/zinc/43/26/29/1373432629.db2.gz JLKFVUNDAPKAPU-ZTFGCOKTSA-N 2 2 340.471 3.104 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001130001226 1373444537 /nfs/dbraw/zinc/44/45/37/1373444537.db2.gz IASCUZSUCBNSEA-QGZVFWFLSA-N 2 2 348.878 3.030 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)c1cccc(Cl)c1 ZINC001131270315 1373672556 /nfs/dbraw/zinc/67/25/56/1373672556.db2.gz HPVMUUYPGKNDAC-CYBMUJFWSA-N 2 2 342.830 3.068 20 0 EGADLP O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1cccc2[nH+]ccn21 ZINC001131273396 1373673218 /nfs/dbraw/zinc/67/32/18/1373673218.db2.gz JSXHOCSJEGZJKQ-UHFFFAOYSA-N 2 2 344.418 3.007 20 0 EGADLP CCC/C=C/CC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001227947675 1375494143 /nfs/dbraw/zinc/49/41/43/1375494143.db2.gz XWYZLDOCLIXDHP-BQYQJAHWSA-N 2 2 346.519 3.254 20 0 EGADLP CCC/C=C/CC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249825 1375533698 /nfs/dbraw/zinc/53/36/98/1375533698.db2.gz WEURPNXTUMJTNP-SNAWJCMRSA-N 2 2 340.471 3.275 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228852391 1375693838 /nfs/dbraw/zinc/69/38/38/1375693838.db2.gz KFMKGIOHFJIBPO-RHIRGMCDSA-N 2 2 332.492 3.208 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229045584 1375750253 /nfs/dbraw/zinc/75/02/53/1375750253.db2.gz CSEZAVPNWRTCNY-ZTFGCOKTSA-N 2 2 334.508 3.042 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229045584 1375750258 /nfs/dbraw/zinc/75/02/58/1375750258.db2.gz CSEZAVPNWRTCNY-ZTFGCOKTSA-N 2 2 334.508 3.042 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363214 1375945518 /nfs/dbraw/zinc/94/55/18/1375945518.db2.gz FRPNJIPACUNGMZ-WWAPKCSDSA-N 2 2 346.519 3.094 20 0 EGADLP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC001133396142 1375980297 /nfs/dbraw/zinc/98/02/97/1375980297.db2.gz SPHHYDUEOUDMJH-UHFFFAOYSA-N 2 2 348.878 3.024 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610893 1376100346 /nfs/dbraw/zinc/10/03/46/1376100346.db2.gz JJNRGBRGWDNXPJ-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610893 1376100370 /nfs/dbraw/zinc/10/03/70/1376100370.db2.gz JJNRGBRGWDNXPJ-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CCOc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OC(=O)C(C)C ZINC001231555597 1376263147 /nfs/dbraw/zinc/26/31/47/1376263147.db2.gz RUGXVUFXYXPUEE-UHFFFAOYSA-N 2 2 336.476 3.030 20 0 EGADLP CCOc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OC(=O)C(C)C ZINC001231555597 1376263156 /nfs/dbraw/zinc/26/31/56/1376263156.db2.gz RUGXVUFXYXPUEE-UHFFFAOYSA-N 2 2 336.476 3.030 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)sc4ccccc43)C[C@@H]2C1 ZINC001231643885 1376290869 /nfs/dbraw/zinc/29/08/69/1376290869.db2.gz LUWQOVVBQVEYRQ-MAUKXSAKSA-N 2 2 330.497 3.362 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)sc4ccccc43)C[C@@H]2C1 ZINC001231643885 1376290872 /nfs/dbraw/zinc/29/08/72/1376290872.db2.gz LUWQOVVBQVEYRQ-MAUKXSAKSA-N 2 2 330.497 3.362 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)sc4ccccc43)C[C@@H]2C1 ZINC001231643885 1376290878 /nfs/dbraw/zinc/29/08/78/1376290878.db2.gz LUWQOVVBQVEYRQ-MAUKXSAKSA-N 2 2 330.497 3.362 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)sc4ccccc43)C[C@@H]2C1 ZINC001231643885 1376290882 /nfs/dbraw/zinc/29/08/82/1376290882.db2.gz LUWQOVVBQVEYRQ-MAUKXSAKSA-N 2 2 330.497 3.362 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CCC1CCCCC1 ZINC001134227309 1376423947 /nfs/dbraw/zinc/42/39/47/1376423947.db2.gz FBWOEUQVQFBRET-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP CC[N@H+](Cc1ccc(Br)c(C)n1)C1CC[NH+](C)CC1 ZINC001232665259 1376495972 /nfs/dbraw/zinc/49/59/72/1376495972.db2.gz AZNSHBQRAKQNJX-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[N@@H+](Cc1ccc(Br)c(C)n1)C1CC[NH+](C)CC1 ZINC001232665259 1376495975 /nfs/dbraw/zinc/49/59/75/1376495975.db2.gz AZNSHBQRAKQNJX-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C)ccn12 ZINC001134369383 1376497968 /nfs/dbraw/zinc/49/79/68/1376497968.db2.gz KQHZRHURRQYNLG-GJZGRUSLSA-N 2 2 330.476 3.175 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1O ZINC001233228630 1376592982 /nfs/dbraw/zinc/59/29/82/1376592982.db2.gz FIGJNBBXCYCSFU-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1O ZINC001233228630 1376592986 /nfs/dbraw/zinc/59/29/86/1376592986.db2.gz FIGJNBBXCYCSFU-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1O ZINC001233228630 1376592989 /nfs/dbraw/zinc/59/29/89/1376592989.db2.gz FIGJNBBXCYCSFU-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1O ZINC001233228630 1376592992 /nfs/dbraw/zinc/59/29/92/1376592992.db2.gz FIGJNBBXCYCSFU-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)sn1 ZINC001233310554 1376608626 /nfs/dbraw/zinc/60/86/26/1376608626.db2.gz LNWLBXOVGXZBTL-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)sn1 ZINC001233310554 1376608630 /nfs/dbraw/zinc/60/86/30/1376608630.db2.gz LNWLBXOVGXZBTL-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)sn1 ZINC001233310554 1376608633 /nfs/dbraw/zinc/60/86/33/1376608633.db2.gz LNWLBXOVGXZBTL-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)sn1 ZINC001233310554 1376608639 /nfs/dbraw/zinc/60/86/39/1376608639.db2.gz LNWLBXOVGXZBTL-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)s2)c1 ZINC001235113990 1376846452 /nfs/dbraw/zinc/84/64/52/1376846452.db2.gz IFNNRSCWXHMMRX-KRWDZBQOSA-N 2 2 334.510 3.431 20 0 EGADLP c1csc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)s2)c1 ZINC001235113990 1376846473 /nfs/dbraw/zinc/84/64/73/1376846473.db2.gz IFNNRSCWXHMMRX-KRWDZBQOSA-N 2 2 334.510 3.431 20 0 EGADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235119790 1376851385 /nfs/dbraw/zinc/85/13/85/1376851385.db2.gz QYRADUNBDNPXKQ-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(-c2ccccc2C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235119790 1376851387 /nfs/dbraw/zinc/85/13/87/1376851387.db2.gz QYRADUNBDNPXKQ-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC1CCCC1 ZINC001235273447 1376865279 /nfs/dbraw/zinc/86/52/79/1376865279.db2.gz STMIBEULXALWIB-WMZOPIPTSA-N 2 2 330.472 3.200 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC1CCCC1 ZINC001235273447 1376865286 /nfs/dbraw/zinc/86/52/86/1376865286.db2.gz STMIBEULXALWIB-WMZOPIPTSA-N 2 2 330.472 3.200 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235631960 1376879002 /nfs/dbraw/zinc/87/90/02/1376879002.db2.gz CPBIUSAKDLSQSQ-MGBKSAOESA-N 2 2 346.519 3.359 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235631960 1376879004 /nfs/dbraw/zinc/87/90/04/1376879004.db2.gz CPBIUSAKDLSQSQ-MGBKSAOESA-N 2 2 346.519 3.359 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632061 1376879233 /nfs/dbraw/zinc/87/92/33/1376879233.db2.gz DYUWRIGFPOLXGR-MSOLQXFVSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632061 1376879236 /nfs/dbraw/zinc/87/92/36/1376879236.db2.gz DYUWRIGFPOLXGR-MSOLQXFVSA-N 2 2 334.508 3.049 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096886 1376894066 /nfs/dbraw/zinc/89/40/66/1376894066.db2.gz CKZCUAAJDQKJPK-SBEDSWMFSA-N 2 2 346.862 3.111 20 0 EGADLP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098386 1376897725 /nfs/dbraw/zinc/89/77/25/1376897725.db2.gz XCCZJMGZQNRVCH-JKSUJKDBSA-N 2 2 328.460 3.015 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098410 1376897734 /nfs/dbraw/zinc/89/77/34/1376897734.db2.gz XJMGRUIGWXYODF-JKSUJKDBSA-N 2 2 340.471 3.159 20 0 EGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894550 1376912678 /nfs/dbraw/zinc/91/26/78/1376912678.db2.gz XSVGRBLVXADLKO-IAQYHMDHSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894550 1376912683 /nfs/dbraw/zinc/91/26/83/1376912683.db2.gz XSVGRBLVXADLKO-IAQYHMDHSA-N 2 2 334.261 3.309 20 0 EGADLP Fc1cccc(C[N@@H+]([C@@H]2CCc3ncsc3C2)[C@H]2CCC[NH2+]C2)c1 ZINC001246939255 1377056192 /nfs/dbraw/zinc/05/61/92/1377056192.db2.gz UJIGPMRDYIGCDG-SJORKVTESA-N 2 2 345.487 3.394 20 0 EGADLP Fc1cccc(C[N@H+]([C@@H]2CCc3ncsc3C2)[C@H]2CCC[NH2+]C2)c1 ZINC001246939255 1377056194 /nfs/dbraw/zinc/05/61/94/1377056194.db2.gz UJIGPMRDYIGCDG-SJORKVTESA-N 2 2 345.487 3.394 20 0 EGADLP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106691 /nfs/dbraw/zinc/10/66/91/1377106691.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@@H]([NH+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106693 /nfs/dbraw/zinc/10/66/93/1377106693.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106695 /nfs/dbraw/zinc/10/66/95/1377106695.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526680 1377106697 /nfs/dbraw/zinc/10/66/97/1377106697.db2.gz STROCVWABRHPKW-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553714 1377142329 /nfs/dbraw/zinc/14/23/29/1377142329.db2.gz VWBROCOAMAALKS-JKSUJKDBSA-N 2 2 342.487 3.149 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364507 1377296816 /nfs/dbraw/zinc/29/68/16/1377296816.db2.gz WZFBFRXQHQONSV-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364507 1377296818 /nfs/dbraw/zinc/29/68/18/1377296818.db2.gz WZFBFRXQHQONSV-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP Cc1ccn2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc2c1 ZINC001136890150 1377435937 /nfs/dbraw/zinc/43/59/37/1377435937.db2.gz RCIPAEVHNBFDOJ-PMACEKPBSA-N 2 2 346.478 3.207 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038163 1377463158 /nfs/dbraw/zinc/46/31/58/1377463158.db2.gz TYVPACMTGBJIDE-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038163 1377463159 /nfs/dbraw/zinc/46/31/59/1377463159.db2.gz TYVPACMTGBJIDE-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038163 1377463160 /nfs/dbraw/zinc/46/31/60/1377463160.db2.gz TYVPACMTGBJIDE-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038163 1377463161 /nfs/dbraw/zinc/46/31/61/1377463161.db2.gz TYVPACMTGBJIDE-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261299 1388500095 /nfs/dbraw/zinc/50/00/95/1388500095.db2.gz OZJHLBQOEATAFD-BQWVTDQKSA-N 2 2 344.503 3.113 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261299 1388500098 /nfs/dbraw/zinc/50/00/98/1388500098.db2.gz OZJHLBQOEATAFD-BQWVTDQKSA-N 2 2 344.503 3.113 20 0 EGADLP Cc1cccc2nc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cn21 ZINC001137301450 1377513433 /nfs/dbraw/zinc/51/34/33/1377513433.db2.gz JZUPRGTVOMESQV-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2nc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cn21 ZINC001137301450 1377513435 /nfs/dbraw/zinc/51/34/35/1377513435.db2.gz JZUPRGTVOMESQV-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2nc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn21 ZINC001137301450 1377513437 /nfs/dbraw/zinc/51/34/37/1377513437.db2.gz JZUPRGTVOMESQV-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2nc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn21 ZINC001137301450 1377513440 /nfs/dbraw/zinc/51/34/40/1377513440.db2.gz JZUPRGTVOMESQV-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001137373561 1377535252 /nfs/dbraw/zinc/53/52/52/1377535252.db2.gz DNRWELAJZSLHPF-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001137373561 1377535255 /nfs/dbraw/zinc/53/52/55/1377535255.db2.gz DNRWELAJZSLHPF-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001137373561 1377535258 /nfs/dbraw/zinc/53/52/58/1377535258.db2.gz DNRWELAJZSLHPF-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001137373561 1377535259 /nfs/dbraw/zinc/53/52/59/1377535259.db2.gz DNRWELAJZSLHPF-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP COCC[N@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001137393421 1377539360 /nfs/dbraw/zinc/53/93/60/1377539360.db2.gz NMEUPLMXIXEAND-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COCC[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CC[NH+](C)CC1 ZINC001137393421 1377539361 /nfs/dbraw/zinc/53/93/61/1377539361.db2.gz NMEUPLMXIXEAND-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1Cl ZINC001138476423 1377727829 /nfs/dbraw/zinc/72/78/29/1377727829.db2.gz GYPVIJSXSRUOJM-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)CC1 ZINC001138716441 1377772664 /nfs/dbraw/zinc/77/26/64/1377772664.db2.gz ICPDEDFJDFKZDX-UHFFFAOYSA-N 2 2 332.463 3.410 20 0 EGADLP Clc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001138817810 1377789895 /nfs/dbraw/zinc/78/98/95/1377789895.db2.gz CJVMMYRVCZNGGL-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001138817810 1377789897 /nfs/dbraw/zinc/78/98/97/1377789897.db2.gz CJVMMYRVCZNGGL-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001138817810 1377789900 /nfs/dbraw/zinc/78/99/00/1377789900.db2.gz CJVMMYRVCZNGGL-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccn1 ZINC001138817810 1377789903 /nfs/dbraw/zinc/78/99/03/1377789903.db2.gz CJVMMYRVCZNGGL-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138934955 1377804867 /nfs/dbraw/zinc/80/48/67/1377804867.db2.gz SQWZDHJTPAQAPD-UHFFFAOYSA-N 2 2 341.846 3.194 20 0 EGADLP Cn1ccc2c1cccc2C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139158941 1377841651 /nfs/dbraw/zinc/84/16/51/1377841651.db2.gz HHOKIFQRCMVTCL-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2c1cccc2C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139158941 1377841652 /nfs/dbraw/zinc/84/16/52/1377841652.db2.gz HHOKIFQRCMVTCL-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001139158941 1377841653 /nfs/dbraw/zinc/84/16/53/1377841653.db2.gz HHOKIFQRCMVTCL-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001139158941 1377841654 /nfs/dbraw/zinc/84/16/54/1377841654.db2.gz HHOKIFQRCMVTCL-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3c[nH]c4cccc(C)c34)CC2)nc(C)[nH+]1 ZINC001139197716 1377848759 /nfs/dbraw/zinc/84/87/59/1377848759.db2.gz XKOQGSKXAZYLDO-UHFFFAOYSA-N 2 2 335.455 3.205 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001139205241 1377851434 /nfs/dbraw/zinc/85/14/34/1377851434.db2.gz TWYXJCXQTVADPH-PMACEKPBSA-N 2 2 346.478 3.137 20 0 EGADLP CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139355858 1377872633 /nfs/dbraw/zinc/87/26/33/1377872633.db2.gz CGXFAAUBJKLXKW-HXUWFJFHSA-N 2 2 341.455 3.428 20 0 EGADLP CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139355858 1377872634 /nfs/dbraw/zinc/87/26/34/1377872634.db2.gz CGXFAAUBJKLXKW-HXUWFJFHSA-N 2 2 341.455 3.428 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763436 1377947881 /nfs/dbraw/zinc/94/78/81/1377947881.db2.gz MXBWCLTZEISPKE-FPOVZHCZSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763436 1377947883 /nfs/dbraw/zinc/94/78/83/1377947883.db2.gz MXBWCLTZEISPKE-FPOVZHCZSA-N 2 2 344.499 3.162 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001140027051 1377991750 /nfs/dbraw/zinc/99/17/50/1377991750.db2.gz WLLJXMSSXACXSX-FQEVSTJZSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001140027051 1377991751 /nfs/dbraw/zinc/99/17/51/1377991751.db2.gz WLLJXMSSXACXSX-FQEVSTJZSA-N 2 2 334.423 3.149 20 0 EGADLP CC(C)[N@H+](Cc1ccc(Br)cc1N)C1CC[NH+](C)CC1 ZINC001140227031 1378033755 /nfs/dbraw/zinc/03/37/55/1378033755.db2.gz MGSFCHCJHKJQPI-UHFFFAOYSA-N 2 2 340.309 3.336 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(Br)cc1N)C1CC[NH+](C)CC1 ZINC001140227031 1378033757 /nfs/dbraw/zinc/03/37/57/1378033757.db2.gz MGSFCHCJHKJQPI-UHFFFAOYSA-N 2 2 340.309 3.336 20 0 EGADLP Clc1cccc2[nH]cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c21 ZINC001140446772 1378064645 /nfs/dbraw/zinc/06/46/45/1378064645.db2.gz NTZYGPKMRVKLQH-UHFFFAOYSA-N 2 2 346.906 3.035 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801060 1378139095 /nfs/dbraw/zinc/13/90/95/1378139095.db2.gz AMZYFJKBBWQVER-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801060 1378139097 /nfs/dbraw/zinc/13/90/97/1378139097.db2.gz AMZYFJKBBWQVER-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801162 1378139506 /nfs/dbraw/zinc/13/95/06/1378139506.db2.gz DERHDKALRLMVGZ-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801162 1378139508 /nfs/dbraw/zinc/13/95/08/1378139508.db2.gz DERHDKALRLMVGZ-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801618 1378141682 /nfs/dbraw/zinc/14/16/82/1378141682.db2.gz TXRKHEUIHARUKP-IRXDYDNUSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801618 1378141683 /nfs/dbraw/zinc/14/16/83/1378141683.db2.gz TXRKHEUIHARUKP-IRXDYDNUSA-N 2 2 342.443 3.147 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(OC)cc1C ZINC001275582330 1378144593 /nfs/dbraw/zinc/14/45/93/1378144593.db2.gz NBBWENYUBYFGRP-FQEVSTJZSA-N 2 2 332.488 3.320 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(OC)cc1C ZINC001275582330 1378144595 /nfs/dbraw/zinc/14/45/95/1378144595.db2.gz NBBWENYUBYFGRP-FQEVSTJZSA-N 2 2 332.488 3.320 20 0 EGADLP COc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(OC)cc1C ZINC001275582330 1378144598 /nfs/dbraw/zinc/14/45/98/1378144598.db2.gz NBBWENYUBYFGRP-FQEVSTJZSA-N 2 2 332.488 3.320 20 0 EGADLP COc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(OC)cc1C ZINC001275582330 1378144601 /nfs/dbraw/zinc/14/46/01/1378144601.db2.gz NBBWENYUBYFGRP-FQEVSTJZSA-N 2 2 332.488 3.320 20 0 EGADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC001275919602 1378162768 /nfs/dbraw/zinc/16/27/68/1378162768.db2.gz IMFDWGBTTWDJMO-XJKSGUPXSA-N 2 2 342.314 3.061 20 0 EGADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)[C@@H]2C1 ZINC001275919602 1378162774 /nfs/dbraw/zinc/16/27/74/1378162774.db2.gz IMFDWGBTTWDJMO-XJKSGUPXSA-N 2 2 342.314 3.061 20 0 EGADLP Nc1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876625 1378166604 /nfs/dbraw/zinc/16/66/04/1378166604.db2.gz ICXNFXSAWLKZIS-ROUUACIJSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876625 1378166607 /nfs/dbraw/zinc/16/66/07/1378166607.db2.gz ICXNFXSAWLKZIS-ROUUACIJSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876625 1378166609 /nfs/dbraw/zinc/16/66/09/1378166609.db2.gz ICXNFXSAWLKZIS-ROUUACIJSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876625 1378166612 /nfs/dbraw/zinc/16/66/12/1378166612.db2.gz ICXNFXSAWLKZIS-ROUUACIJSA-N 2 2 339.458 3.362 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470154 1378174908 /nfs/dbraw/zinc/17/49/08/1378174908.db2.gz JYDOLZJKFXTBJV-AEFFLSMTSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@H](C)CC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470154 1378174914 /nfs/dbraw/zinc/17/49/14/1378174914.db2.gz JYDOLZJKFXTBJV-AEFFLSMTSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001276470154 1378174915 /nfs/dbraw/zinc/17/49/15/1378174915.db2.gz JYDOLZJKFXTBJV-AEFFLSMTSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001276470154 1378174921 /nfs/dbraw/zinc/17/49/21/1378174921.db2.gz JYDOLZJKFXTBJV-AEFFLSMTSA-N 2 2 326.550 3.237 20 0 EGADLP c1cn(-c2ccc(CN3CC[C@H]4[C@@H]3CC[N@@H+]4C3CCCC3)cc2)c[nH+]1 ZINC001276873281 1378190949 /nfs/dbraw/zinc/19/09/49/1378190949.db2.gz TULKMWHRIAFSKR-SFTDATJTSA-N 2 2 336.483 3.464 20 0 EGADLP c1cn(-c2ccc(CN3CC[C@H]4[C@@H]3CC[N@H+]4C3CCCC3)cc2)c[nH+]1 ZINC001276873281 1378190951 /nfs/dbraw/zinc/19/09/51/1378190951.db2.gz TULKMWHRIAFSKR-SFTDATJTSA-N 2 2 336.483 3.464 20 0 EGADLP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243865 1378281326 /nfs/dbraw/zinc/28/13/26/1378281326.db2.gz AINCQAQVSBSLOC-WDSOQIARSA-N 2 2 339.439 3.036 20 0 EGADLP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243865 1378281327 /nfs/dbraw/zinc/28/13/27/1378281327.db2.gz AINCQAQVSBSLOC-WDSOQIARSA-N 2 2 339.439 3.036 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611588 1378350603 /nfs/dbraw/zinc/35/06/03/1378350603.db2.gz DMEVDPDZXUIYFD-GJZGRUSLSA-N 2 2 342.405 3.488 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3cccnc3cc1F)CC2 ZINC001141627499 1378354348 /nfs/dbraw/zinc/35/43/48/1378354348.db2.gz RRKGJHUTJWBWEQ-UHFFFAOYSA-N 2 2 342.418 3.004 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001282678047 1378549041 /nfs/dbraw/zinc/54/90/41/1378549041.db2.gz MVVKZYKQNSSWPE-LJQANCHMSA-N 2 2 348.535 3.150 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001282678047 1378549043 /nfs/dbraw/zinc/54/90/43/1378549043.db2.gz MVVKZYKQNSSWPE-LJQANCHMSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@@H]3C2)cc1 ZINC001143213956 1378562442 /nfs/dbraw/zinc/56/24/42/1378562442.db2.gz GHPJNNZPPNEXCE-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc(C)c1F ZINC001143380733 1378589917 /nfs/dbraw/zinc/58/99/17/1378589917.db2.gz SIOTUWITHMSSLR-KDURUIRLSA-N 2 2 339.458 3.401 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc(C)c1F ZINC001143380733 1378589921 /nfs/dbraw/zinc/58/99/21/1378589921.db2.gz SIOTUWITHMSSLR-KDURUIRLSA-N 2 2 339.458 3.401 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc(C)c1F ZINC001143380733 1378589927 /nfs/dbraw/zinc/58/99/27/1378589927.db2.gz SIOTUWITHMSSLR-KDURUIRLSA-N 2 2 339.458 3.401 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc(C)c1F ZINC001143380733 1378589930 /nfs/dbraw/zinc/58/99/30/1378589930.db2.gz SIOTUWITHMSSLR-KDURUIRLSA-N 2 2 339.458 3.401 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146773411 1378915719 /nfs/dbraw/zinc/91/57/19/1378915719.db2.gz ZGCDBTTZZARJON-SJORKVTESA-N 2 2 342.487 3.080 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315075 1380253450 /nfs/dbraw/zinc/25/34/50/1380253450.db2.gz LVLOWIBOMWDQSY-MRXNPFEDSA-N 2 2 330.476 3.211 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315075 1380253453 /nfs/dbraw/zinc/25/34/53/1380253453.db2.gz LVLOWIBOMWDQSY-MRXNPFEDSA-N 2 2 330.476 3.211 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189915 1380421981 /nfs/dbraw/zinc/42/19/81/1380421981.db2.gz ZHECOHSXEMOGHL-CABCVRRESA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189915 1380421982 /nfs/dbraw/zinc/42/19/82/1380421982.db2.gz ZHECOHSXEMOGHL-CABCVRRESA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521939 1380464213 /nfs/dbraw/zinc/46/42/13/1380464213.db2.gz OZFNPEVNOKUJFB-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521939 1380464215 /nfs/dbraw/zinc/46/42/15/1380464215.db2.gz OZFNPEVNOKUJFB-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP CO[C@@H](C[NH+]1CCN(c2cc(C)cc(C)[nH+]2)CC1)c1ccccc1 ZINC001155705664 1380485283 /nfs/dbraw/zinc/48/52/83/1380485283.db2.gz JYBJBMQPRVRGSC-IBGZPJMESA-N 2 2 325.456 3.208 20 0 EGADLP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825629 1380495760 /nfs/dbraw/zinc/49/57/60/1380495760.db2.gz NZLPPVWECPQKJO-NVXWUHKLSA-N 2 2 344.503 3.058 20 0 EGADLP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825629 1380495761 /nfs/dbraw/zinc/49/57/61/1380495761.db2.gz NZLPPVWECPQKJO-NVXWUHKLSA-N 2 2 344.503 3.058 20 0 EGADLP CCCN(CCC)c1cc(N2CCCC[C@@]23CCC[NH2+]C3)nc[nH+]1 ZINC001157473682 1380925178 /nfs/dbraw/zinc/92/51/78/1380925178.db2.gz ZVDMNHKQDZXCBX-IBGZPJMESA-N 2 2 331.508 3.216 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC1CCCC1 ZINC001158794872 1381402994 /nfs/dbraw/zinc/40/29/94/1381402994.db2.gz UWUCWLCPSOCDDO-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001158794872 1381402997 /nfs/dbraw/zinc/40/29/97/1381402997.db2.gz UWUCWLCPSOCDDO-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949158 1381479786 /nfs/dbraw/zinc/47/97/86/1381479786.db2.gz FNOOIFNVKSWCGR-VZSQWMKGSA-N 2 2 346.519 3.333 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949158 1381479802 /nfs/dbraw/zinc/47/98/02/1381479802.db2.gz FNOOIFNVKSWCGR-VZSQWMKGSA-N 2 2 346.519 3.333 20 0 EGADLP Brc1ccc2[nH+]ccc(NC=CC3CC[NH2+]CC3)c2c1 ZINC001159215615 1381732205 /nfs/dbraw/zinc/73/22/05/1381732205.db2.gz NMSDFGDOSSDSFD-WEVVVXLNSA-N 2 2 332.245 3.344 20 0 EGADLP COc1cc(N(CC2CC[NH2+]CC2)c2c(N)cccc2F)cc(C)[nH+]1 ZINC001160124235 1382005287 /nfs/dbraw/zinc/00/52/87/1382005287.db2.gz OXAJSCXCKZPWMP-UHFFFAOYSA-N 2 2 344.434 3.258 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@H+](CC(C)C)CC2)c(C)[nH+]1 ZINC001160760958 1382189232 /nfs/dbraw/zinc/18/92/32/1382189232.db2.gz JHZWLUYQHJIDGC-UHFFFAOYSA-N 2 2 329.488 3.415 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@@H+](CC(C)C)CC2)c(C)[nH+]1 ZINC001160760958 1382189238 /nfs/dbraw/zinc/18/92/38/1382189238.db2.gz JHZWLUYQHJIDGC-UHFFFAOYSA-N 2 2 329.488 3.415 20 0 EGADLP C[C@H]1CN(C(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)C[C@H](C)[NH2+]1 ZINC001161231302 1382349911 /nfs/dbraw/zinc/34/99/11/1382349911.db2.gz HGPSLXKJZUCEEN-IRXDYDNUSA-N 2 2 349.478 3.025 20 0 EGADLP C[C@H]1CN(C(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C[C@H](C)[NH2+]1 ZINC001161231302 1382349913 /nfs/dbraw/zinc/34/99/13/1382349913.db2.gz HGPSLXKJZUCEEN-IRXDYDNUSA-N 2 2 349.478 3.025 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1c1ccc(NC2CN(c3cccc[nH+]3)C2)nc1 ZINC001161326088 1382370866 /nfs/dbraw/zinc/37/08/66/1382370866.db2.gz RHLNBVVGODUTPE-SFHVURJKSA-N 2 2 337.471 3.324 20 0 EGADLP CC[N@H+]1CCCC[C@H]1c1ccc(NC2CN(c3cccc[nH+]3)C2)nc1 ZINC001161326088 1382370868 /nfs/dbraw/zinc/37/08/68/1382370868.db2.gz RHLNBVVGODUTPE-SFHVURJKSA-N 2 2 337.471 3.324 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356669 1382381819 /nfs/dbraw/zinc/38/18/19/1382381819.db2.gz ZDIBUMVXDGMCBT-SFHVURJKSA-N 2 2 346.519 3.409 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356669 1382381825 /nfs/dbraw/zinc/38/18/25/1382381825.db2.gz ZDIBUMVXDGMCBT-SFHVURJKSA-N 2 2 346.519 3.409 20 0 EGADLP COc1cccc(C2(Nc3ccc(Cl)c(N)[nH+]3)CC[NH2+]CC2)c1 ZINC001161997568 1382594176 /nfs/dbraw/zinc/59/41/76/1382594176.db2.gz OESMUQIASRFLLN-UHFFFAOYSA-N 2 2 332.835 3.017 20 0 EGADLP CSCc1ccc(NCC2(c3cccnc3)CC[NH2+]CC2)[nH+]c1 ZINC001162039526 1382611038 /nfs/dbraw/zinc/61/10/38/1382611038.db2.gz GTPRJDYLVDIHSE-UHFFFAOYSA-N 2 2 328.485 3.073 20 0 EGADLP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc([NH+](CC)CC)ccc1C ZINC001162736765 1382852692 /nfs/dbraw/zinc/85/26/92/1382852692.db2.gz CCZQDSMNADNZOX-IBGZPJMESA-N 2 2 349.519 3.384 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC2CC3(C2)CCC[NH2+]C3)c1)C1CC1 ZINC001162982184 1382936673 /nfs/dbraw/zinc/93/66/73/1382936673.db2.gz RLUFNXUKZSPYMH-GNZRSQJKSA-N 2 2 343.471 3.082 20 0 EGADLP C[NH+](C)C1(CNc2cccnc2Oc2ccccc2)CC[NH+](C)CC1 ZINC001164211230 1383166338 /nfs/dbraw/zinc/16/63/38/1383166338.db2.gz LOUHRRNYPPMCEN-UHFFFAOYSA-N 2 2 340.471 3.312 20 0 EGADLP Cc1[nH+]ccn1CCCC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001164233315 1383169089 /nfs/dbraw/zinc/16/90/89/1383169089.db2.gz UGHQXYKGTANRSF-UHFFFAOYSA-N 2 2 335.411 3.171 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CC2)c(C)[nH+]1 ZINC001328750461 1388841675 /nfs/dbraw/zinc/84/16/75/1388841675.db2.gz SPSVTLIOBDUSMM-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)c(C)[nH+]1 ZINC001328750461 1388841677 /nfs/dbraw/zinc/84/16/77/1388841677.db2.gz SPSVTLIOBDUSMM-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP COc1cc2cc[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)c2cc1F ZINC001165248072 1383257537 /nfs/dbraw/zinc/25/75/37/1383257537.db2.gz BYBOUYJJOAIBSU-UHFFFAOYSA-N 2 2 329.419 3.495 20 0 EGADLP C[N@@H+]1CCC[C@@H](CCNc2c(Br)ccc3[nH+]ccn32)C1 ZINC001165300268 1383269223 /nfs/dbraw/zinc/26/92/23/1383269223.db2.gz KCQZDIZLRAZFRT-LBPRGKRZSA-N 2 2 337.265 3.241 20 0 EGADLP C[N@H+]1CCC[C@@H](CCNc2c(Br)ccc3[nH+]ccn32)C1 ZINC001165300268 1383269226 /nfs/dbraw/zinc/26/92/26/1383269226.db2.gz KCQZDIZLRAZFRT-LBPRGKRZSA-N 2 2 337.265 3.241 20 0 EGADLP Cc1nc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc(C(C)C)[nH+]1 ZINC001165417590 1383291749 /nfs/dbraw/zinc/29/17/49/1383291749.db2.gz PWXPEVBTQACVIJ-NQIIRXRSSA-N 2 2 336.483 3.492 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001167331257 1383599871 /nfs/dbraw/zinc/59/98/71/1383599871.db2.gz AOTCUEKLCCVPPB-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP C[C@@H](CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001167348069 1383605678 /nfs/dbraw/zinc/60/56/78/1383605678.db2.gz ANHFAXPGWRUUCF-INIZCTEOSA-N 2 2 334.508 3.147 20 0 EGADLP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348564 1383606189 /nfs/dbraw/zinc/60/61/89/1383606189.db2.gz MHLRFVTUVFJKPU-CHYADLBTSA-N 2 2 332.492 3.067 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001167429330 1383632141 /nfs/dbraw/zinc/63/21/41/1383632141.db2.gz RVFOVTBJMANNJI-QAPCUYQASA-N 2 2 346.450 3.221 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167963746 1383780709 /nfs/dbraw/zinc/78/07/09/1383780709.db2.gz CGPYKOFBNONNEA-ALOPSCKCSA-N 2 2 330.472 3.199 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167963746 1383780712 /nfs/dbraw/zinc/78/07/12/1383780712.db2.gz CGPYKOFBNONNEA-ALOPSCKCSA-N 2 2 330.472 3.199 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009177 1383795827 /nfs/dbraw/zinc/79/58/27/1383795827.db2.gz HHOKUGKCPFNHEU-XEMDLRDOSA-N 3 2 326.488 3.223 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009177 1383795828 /nfs/dbraw/zinc/79/58/28/1383795828.db2.gz HHOKUGKCPFNHEU-XEMDLRDOSA-N 3 2 326.488 3.223 20 0 EGADLP C[C@@H]1CC([NH2+][C@H](CO)c2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030788 1383800322 /nfs/dbraw/zinc/80/03/22/1383800322.db2.gz XODGRYYBIOWYIZ-CBGDNZLLSA-N 2 2 339.483 3.146 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168066577 1383809854 /nfs/dbraw/zinc/80/98/54/1383809854.db2.gz QERUWKBJZZFEPW-HVYFLLBWSA-N 3 2 341.543 3.312 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168066577 1383809858 /nfs/dbraw/zinc/80/98/58/1383809858.db2.gz QERUWKBJZZFEPW-HVYFLLBWSA-N 3 2 341.543 3.312 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC001168257069 1383855430 /nfs/dbraw/zinc/85/54/30/1383855430.db2.gz ITYCHCLSLMEAKH-SFTDATJTSA-N 2 2 336.479 3.417 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC001168257069 1383855436 /nfs/dbraw/zinc/85/54/36/1383855436.db2.gz ITYCHCLSLMEAKH-SFTDATJTSA-N 2 2 336.479 3.417 20 0 EGADLP COc1ccc2c(c1)C[C@H](N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168291564 1383865109 /nfs/dbraw/zinc/86/51/09/1383865109.db2.gz MPAAEKGWHBGRDX-LJQANCHMSA-N 2 2 337.467 3.124 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)c1 ZINC001168306083 1383868426 /nfs/dbraw/zinc/86/84/26/1383868426.db2.gz ZNSQBRQDIUVGOO-UHFFFAOYSA-N 3 2 345.531 3.122 20 0 EGADLP C[NH+](C)C1CCC([N@@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001168329961 1383874903 /nfs/dbraw/zinc/87/49/03/1383874903.db2.gz LOGBWKRTZHCBMZ-JCYILVPMSA-N 2 2 329.479 3.055 20 0 EGADLP C[NH+](C)C1CCC([N@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001168329961 1383874907 /nfs/dbraw/zinc/87/49/07/1383874907.db2.gz LOGBWKRTZHCBMZ-JCYILVPMSA-N 2 2 329.479 3.055 20 0 EGADLP C[NH+](C)C1CCC(N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001168329961 1383874910 /nfs/dbraw/zinc/87/49/10/1383874910.db2.gz LOGBWKRTZHCBMZ-JCYILVPMSA-N 2 2 329.479 3.055 20 0 EGADLP C[NH+]1CCC(CO)([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168342033 1383878660 /nfs/dbraw/zinc/87/86/60/1383878660.db2.gz ZKXNSNYTRAYMPU-UHFFFAOYSA-N 2 2 336.907 3.413 20 0 EGADLP Cc1cc(F)ccc1N1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168389944 1383893714 /nfs/dbraw/zinc/89/37/14/1383893714.db2.gz YKTDUOQAZFLAEI-UHFFFAOYSA-N 2 2 331.479 3.131 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001168483923 1383919582 /nfs/dbraw/zinc/91/95/82/1383919582.db2.gz CMZYKUWULSADKL-NSISKUIASA-N 2 2 339.458 3.216 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619477 1383949660 /nfs/dbraw/zinc/94/96/60/1383949660.db2.gz ZESQJAMJFHJXPN-CMKODMSKSA-N 2 2 332.488 3.235 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619477 1383949671 /nfs/dbraw/zinc/94/96/71/1383949671.db2.gz ZESQJAMJFHJXPN-CMKODMSKSA-N 2 2 332.488 3.235 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001308001800 1384071627 /nfs/dbraw/zinc/07/16/27/1384071627.db2.gz HQWSLWQHSYEBMS-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001308001800 1384071633 /nfs/dbraw/zinc/07/16/33/1384071633.db2.gz HQWSLWQHSYEBMS-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC001308176875 1384105620 /nfs/dbraw/zinc/10/56/20/1384105620.db2.gz OYMSAHVZXQUPBL-QGZVFWFLSA-N 2 2 330.447 3.425 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC001308176875 1384105622 /nfs/dbraw/zinc/10/56/22/1384105622.db2.gz OYMSAHVZXQUPBL-QGZVFWFLSA-N 2 2 330.447 3.425 20 0 EGADLP COc1cc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Cl ZINC001169156436 1384116776 /nfs/dbraw/zinc/11/67/76/1384116776.db2.gz YGQTVCNNFIEORP-SCAQPMJSSA-N 2 2 349.906 3.096 20 0 EGADLP COc1cc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Cl ZINC001169156436 1384116777 /nfs/dbraw/zinc/11/67/77/1384116777.db2.gz YGQTVCNNFIEORP-SCAQPMJSSA-N 2 2 349.906 3.096 20 0 EGADLP Cc1nn2c(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c(C)nc2s1 ZINC001308294741 1384117133 /nfs/dbraw/zinc/11/71/33/1384117133.db2.gz DMBBDNQYRWJMPS-UHFFFAOYSA-N 2 2 347.532 3.294 20 0 EGADLP COc1ccccc1N1CCC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001308385412 1384123086 /nfs/dbraw/zinc/12/30/86/1384123086.db2.gz PZICFBRACUFOHA-UHFFFAOYSA-N 2 2 345.531 3.376 20 0 EGADLP COc1ccccc1N1CCC([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001308385412 1384123087 /nfs/dbraw/zinc/12/30/87/1384123087.db2.gz PZICFBRACUFOHA-UHFFFAOYSA-N 2 2 345.531 3.376 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001169261145 1384128893 /nfs/dbraw/zinc/12/88/93/1384128893.db2.gz AFXWZYANUCYCNP-UHFFFAOYSA-N 2 2 328.378 3.428 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001169261145 1384128891 /nfs/dbraw/zinc/12/88/91/1384128891.db2.gz AFXWZYANUCYCNP-UHFFFAOYSA-N 2 2 328.378 3.428 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144372 1384247844 /nfs/dbraw/zinc/24/78/44/1384247844.db2.gz ILRDTGNPUOMBFJ-YCEFEEMOSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144372 1384247854 /nfs/dbraw/zinc/24/78/54/1384247854.db2.gz ILRDTGNPUOMBFJ-YCEFEEMOSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144372 1384247857 /nfs/dbraw/zinc/24/78/57/1384247857.db2.gz ILRDTGNPUOMBFJ-YCEFEEMOSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144372 1384247859 /nfs/dbraw/zinc/24/78/59/1384247859.db2.gz ILRDTGNPUOMBFJ-YCEFEEMOSA-N 2 2 349.544 3.163 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001170562951 1384343078 /nfs/dbraw/zinc/34/30/78/1384343078.db2.gz GJEHVCWYUNHNMO-APWZRJJASA-N 2 2 348.462 3.064 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001170562951 1384343082 /nfs/dbraw/zinc/34/30/82/1384343082.db2.gz GJEHVCWYUNHNMO-APWZRJJASA-N 2 2 348.462 3.064 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170782667 1384384014 /nfs/dbraw/zinc/38/40/14/1384384014.db2.gz BANIUFXCZKYCNK-MRXNPFEDSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCCC[NH2+]CC3CCC3)ccn12 ZINC001170783268 1384384019 /nfs/dbraw/zinc/38/40/19/1384384019.db2.gz DPNMPLLKGZJJSR-HNNXBMFYSA-N 2 2 342.487 3.321 20 0 EGADLP c1ccc(N2CC[NH2+]CC2)c(CNc2cc(-c3ccncc3)cc[nH+]2)c1 ZINC001171283241 1384485291 /nfs/dbraw/zinc/48/52/91/1384485291.db2.gz PFTSNPOVYBAQFI-UHFFFAOYSA-N 2 2 345.450 3.165 20 0 EGADLP Cc1cccc2c1CC[C@H]([N@@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)C2 ZINC001171567652 1384565744 /nfs/dbraw/zinc/56/57/44/1384565744.db2.gz TYVYBCQVDAPOBV-KRWDZBQOSA-N 2 2 348.450 3.143 20 0 EGADLP Cc1cccc2c1CC[C@H]([N@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)C2 ZINC001171567652 1384565747 /nfs/dbraw/zinc/56/57/47/1384565747.db2.gz TYVYBCQVDAPOBV-KRWDZBQOSA-N 2 2 348.450 3.143 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171576833 1384568958 /nfs/dbraw/zinc/56/89/58/1384568958.db2.gz KGRHPUZNBFUTEU-AEFFLSMTSA-N 2 2 348.535 3.146 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171596073 1384574182 /nfs/dbraw/zinc/57/41/82/1384574182.db2.gz KCIKBOPOEFCSMC-QZTJIDSGSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(OCC3CC3)ncn2)CC1(C)C ZINC001171631303 1384586399 /nfs/dbraw/zinc/58/63/99/1384586399.db2.gz YBFBKNUIOHHBQW-UHFFFAOYSA-N 2 2 332.492 3.006 20 0 EGADLP CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064570 1384715121 /nfs/dbraw/zinc/71/51/21/1384715121.db2.gz COHTYDVQCZSXFF-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064570 1384715127 /nfs/dbraw/zinc/71/51/27/1384715127.db2.gz COHTYDVQCZSXFF-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP CO[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068454 1384718659 /nfs/dbraw/zinc/71/86/59/1384718659.db2.gz IMBJDACBVBXZEG-LJDSDSDDSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068454 1384718663 /nfs/dbraw/zinc/71/86/63/1384718663.db2.gz IMBJDACBVBXZEG-LJDSDSDDSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068454 1384718665 /nfs/dbraw/zinc/71/86/65/1384718665.db2.gz IMBJDACBVBXZEG-LJDSDSDDSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068454 1384718672 /nfs/dbraw/zinc/71/86/72/1384718672.db2.gz IMBJDACBVBXZEG-LJDSDSDDSA-N 2 2 332.463 3.241 20 0 EGADLP CCOC(=O)C1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074328 1384720767 /nfs/dbraw/zinc/72/07/67/1384720767.db2.gz HCCGNIOGZBOSCX-ACDBMABISA-N 2 2 342.483 3.067 20 0 EGADLP CCOC(=O)C1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074328 1384720771 /nfs/dbraw/zinc/72/07/71/1384720771.db2.gz HCCGNIOGZBOSCX-ACDBMABISA-N 2 2 342.483 3.067 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112441 1384729579 /nfs/dbraw/zinc/72/95/79/1384729579.db2.gz WWSPDSCMKXGGLU-KOUNCHBCSA-N 3 2 341.543 3.298 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112441 1384729580 /nfs/dbraw/zinc/72/95/80/1384729580.db2.gz WWSPDSCMKXGGLU-KOUNCHBCSA-N 3 2 341.543 3.298 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119047 1384732279 /nfs/dbraw/zinc/73/22/79/1384732279.db2.gz RSYAAWYYUSYUAA-MANSERQUSA-N 3 2 349.563 3.013 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119047 1384732280 /nfs/dbraw/zinc/73/22/80/1384732280.db2.gz RSYAAWYYUSYUAA-MANSERQUSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119047 1384732282 /nfs/dbraw/zinc/73/22/82/1384732282.db2.gz RSYAAWYYUSYUAA-MANSERQUSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119047 1384732284 /nfs/dbraw/zinc/73/22/84/1384732284.db2.gz RSYAAWYYUSYUAA-MANSERQUSA-N 3 2 349.563 3.013 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172763130 1384845696 /nfs/dbraw/zinc/84/56/96/1384845696.db2.gz UTELBNLBUTVCNA-INIZCTEOSA-N 2 2 329.444 3.424 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172763130 1384845698 /nfs/dbraw/zinc/84/56/98/1384845698.db2.gz UTELBNLBUTVCNA-INIZCTEOSA-N 2 2 329.444 3.424 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001172774470 1384849082 /nfs/dbraw/zinc/84/90/82/1384849082.db2.gz BLIUXKCPMUWDHY-AQNXPRMDSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001172774470 1384849084 /nfs/dbraw/zinc/84/90/84/1384849084.db2.gz BLIUXKCPMUWDHY-AQNXPRMDSA-N 2 2 344.499 3.363 20 0 EGADLP COCC[N@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172869263 1384869347 /nfs/dbraw/zinc/86/93/47/1384869347.db2.gz YFHKVCAAIHVXOL-AWEZNQCLSA-N 2 2 342.886 3.453 20 0 EGADLP COCC[N@@H+]([C@@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172869263 1384869349 /nfs/dbraw/zinc/86/93/49/1384869349.db2.gz YFHKVCAAIHVXOL-AWEZNQCLSA-N 2 2 342.886 3.453 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC(n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001173624429 1384990602 /nfs/dbraw/zinc/99/06/02/1384990602.db2.gz XQNDZVNFCCZIKS-QCTRZYONSA-N 2 2 331.460 3.035 20 0 EGADLP COc1cc(Nc2cc[nH+]c3ccccc23)ccc1N1CC[NH+](C)CC1 ZINC001174039529 1385048935 /nfs/dbraw/zinc/04/89/35/1385048935.db2.gz UEGNYQICTUEKGO-UHFFFAOYSA-N 2 2 348.450 3.161 20 0 EGADLP c1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)cc(C2CC2)[nH+]1 ZINC001174432843 1385107981 /nfs/dbraw/zinc/10/79/81/1385107981.db2.gz ATEGHGZWRCYSNT-UHFFFAOYSA-N 2 2 339.439 3.414 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174581394 1385122371 /nfs/dbraw/zinc/12/23/71/1385122371.db2.gz QXBUQWIRGICUEU-SFHVURJKSA-N 2 2 346.519 3.428 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461590 1385298967 /nfs/dbraw/zinc/29/89/67/1385298967.db2.gz NXOINRMRDVVDIW-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c(C)s1 ZINC001175469453 1385301844 /nfs/dbraw/zinc/30/18/44/1385301844.db2.gz QWSXHSAFCMKSNE-CYBMUJFWSA-N 2 2 348.516 3.095 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175881873 1385428813 /nfs/dbraw/zinc/42/88/13/1385428813.db2.gz YTLSPIINQZDODM-IAGOWNOFSA-N 2 2 342.487 3.286 20 0 EGADLP CCOc1cc(Nc2ccc(OCCC[NH+](C)C)nc2)cc(C)[nH+]1 ZINC001176352250 1385560826 /nfs/dbraw/zinc/56/08/26/1385560826.db2.gz GUBJKDGHMDVSPY-UHFFFAOYSA-N 2 2 330.432 3.258 20 0 EGADLP Cn1c[nH+]c2cccc(Nc3ccc(CC[NH+]4CCOCC4)cc3)c21 ZINC001176385419 1385572328 /nfs/dbraw/zinc/57/23/28/1385572328.db2.gz AITBGDGJEFGDNA-UHFFFAOYSA-N 2 2 336.439 3.192 20 0 EGADLP Cc1cc[nH+]c(C(C)C)c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001176656673 1385648508 /nfs/dbraw/zinc/64/85/08/1385648508.db2.gz MPAWCPMMFYQQSX-UHFFFAOYSA-N 2 2 325.460 3.404 20 0 EGADLP Cc1cc[nH+]c2cc(Nc3ccc(N4CC[NH+](C)CC4)nc3)ccc12 ZINC001176660069 1385649492 /nfs/dbraw/zinc/64/94/92/1385649492.db2.gz IMFCKQRSCDUAID-UHFFFAOYSA-N 2 2 333.439 3.434 20 0 EGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]Cc1ccccc1 ZINC001318554753 1385752643 /nfs/dbraw/zinc/75/26/43/1385752643.db2.gz CRKGBVLSHAMDSW-GOSISDBHSA-N 2 2 325.456 3.305 20 0 EGADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC1CCCCC1 ZINC001177082075 1385800644 /nfs/dbraw/zinc/80/06/44/1385800644.db2.gz VLZIRMFEJVGEMM-UHFFFAOYSA-N 2 2 332.488 3.068 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)c(F)cc1F ZINC001318991284 1385914455 /nfs/dbraw/zinc/91/44/55/1385914455.db2.gz BTBFIWUGQXBZHW-UHFFFAOYSA-N 2 2 328.322 3.415 20 0 EGADLP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177379303 1385935543 /nfs/dbraw/zinc/93/55/43/1385935543.db2.gz ZCZFWTSYWSNDCD-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177468502 1385967933 /nfs/dbraw/zinc/96/79/33/1385967933.db2.gz CAZGOUVWYNTCOG-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177469169 1385969042 /nfs/dbraw/zinc/96/90/42/1385969042.db2.gz XPIRQIFHVHUAIE-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)n1cc[nH+]c1 ZINC001319720949 1386268327 /nfs/dbraw/zinc/26/83/27/1386268327.db2.gz AJSTZOMFRSAJSU-QGZVFWFLSA-N 2 2 340.471 3.357 20 0 EGADLP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649474 1386268798 /nfs/dbraw/zinc/26/87/98/1386268798.db2.gz LFFZQTVOTWWNFG-PLNGDYQASA-N 2 2 334.508 3.355 20 0 EGADLP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649474 1386268801 /nfs/dbraw/zinc/26/88/01/1386268801.db2.gz LFFZQTVOTWWNFG-PLNGDYQASA-N 2 2 334.508 3.355 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]3C)ccn12 ZINC001178703710 1386283894 /nfs/dbraw/zinc/28/38/94/1386283894.db2.gz DBBCMFQRASROMM-RDJZCZTQSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCCC(C)C)[C@@H]3C)ccn12 ZINC001178704252 1386284088 /nfs/dbraw/zinc/28/40/88/1386284088.db2.gz OWXIMYCPVPTTMQ-WMZOPIPTSA-N 2 2 342.487 3.272 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009548 1386375300 /nfs/dbraw/zinc/37/53/00/1386375300.db2.gz KKZQCUDLBJFVJI-INIZCTEOSA-N 2 2 330.476 3.260 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176250 1386418336 /nfs/dbraw/zinc/41/83/36/1386418336.db2.gz ODPOXIOWESMCPI-SFHVURJKSA-N 2 2 336.524 3.222 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001179689448 1386554543 /nfs/dbraw/zinc/55/45/43/1386554543.db2.gz CBKRXMXWTLPEJU-MSOLQXFVSA-N 2 2 348.535 3.435 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001179907152 1386624642 /nfs/dbraw/zinc/62/46/42/1386624642.db2.gz XKZDIYHWKRWTSM-QGZVFWFLSA-N 2 2 342.487 3.288 20 0 EGADLP CC(C)[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179977052 1386655815 /nfs/dbraw/zinc/65/58/15/1386655815.db2.gz FGXQKLJESRZCEZ-UHFFFAOYSA-N 2 2 328.460 3.161 20 0 EGADLP C[C@@H](C[NH2+]Cc1sccc1Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321895431 1387004925 /nfs/dbraw/zinc/00/49/25/1387004925.db2.gz GFUVXZCHXJRBGN-JTQLQIEISA-N 2 2 348.859 3.186 20 0 EGADLP CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001182116231 1387107459 /nfs/dbraw/zinc/10/74/59/1387107459.db2.gz KBJGLXUTAWUAJH-OXQOHEQNSA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001336754194 1389157193 /nfs/dbraw/zinc/15/71/93/1389157193.db2.gz CFACODZOGVAUIN-HOTGVXAUSA-N 2 2 339.842 3.414 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC001332845026 1390199379 /nfs/dbraw/zinc/19/93/79/1390199379.db2.gz SJPQGBLLRLBHTR-WOJBJXKFSA-N 2 2 331.479 3.401 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC001332845026 1390199382 /nfs/dbraw/zinc/19/93/82/1390199382.db2.gz SJPQGBLLRLBHTR-WOJBJXKFSA-N 2 2 331.479 3.401 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2noc3c2CCCC3)[nH+]1 ZINC001340940995 1390409566 /nfs/dbraw/zinc/40/95/66/1390409566.db2.gz WTCUEZXGELQGIM-HNNXBMFYSA-N 2 2 326.444 3.333 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2noc3c2CCCC3)[nH+]1 ZINC001340940995 1390409569 /nfs/dbraw/zinc/40/95/69/1390409569.db2.gz WTCUEZXGELQGIM-HNNXBMFYSA-N 2 2 326.444 3.333 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc(C2CCC2)[nH+]1 ZINC001334173874 1390493222 /nfs/dbraw/zinc/49/32/22/1390493222.db2.gz UAHJMVPTDWOIDW-QZTJIDSGSA-N 2 2 344.503 3.232 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cn3c(cccc3C)n2)[nH+]1 ZINC001335058815 1390636753 /nfs/dbraw/zinc/63/67/53/1390636753.db2.gz COVWALYZUHHRLY-SFHVURJKSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cn3c(cccc3C)n2)[nH+]1 ZINC001335058815 1390636754 /nfs/dbraw/zinc/63/67/54/1390636754.db2.gz COVWALYZUHHRLY-SFHVURJKSA-N 2 2 335.455 3.423 20 0 EGADLP CCCCN(C(=O)CCc1[nH+]ccn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001347592620 1391097217 /nfs/dbraw/zinc/09/72/17/1391097217.db2.gz NROFGJLEMLUFPH-UHFFFAOYSA-N 2 2 348.535 3.291 20 0 EGADLP COc1cccc2c(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)cc[nH+]c12 ZINC001352099165 1391759156 /nfs/dbraw/zinc/75/91/56/1391759156.db2.gz LKWGACQGPHCBSW-JYJNAYRXSA-N 2 2 325.456 3.410 20 0 EGADLP CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001353497578 1392024519 /nfs/dbraw/zinc/02/45/19/1392024519.db2.gz LCMXTNSHABVXCJ-SJLPKXTDSA-N 2 2 342.487 3.168 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479835518 1392421040 /nfs/dbraw/zinc/42/10/40/1392421040.db2.gz WOHNVNLHCHKBAF-YJBOKZPZSA-N 2 2 334.508 3.056 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480384233 1392728316 /nfs/dbraw/zinc/72/83/16/1392728316.db2.gz VEWSSUYOUFSUCQ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480384233 1392728318 /nfs/dbraw/zinc/72/83/18/1392728318.db2.gz VEWSSUYOUFSUCQ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001480772296 1392923986 /nfs/dbraw/zinc/92/39/86/1392923986.db2.gz DCJAMMUGCMLXOW-CYBMUJFWSA-N 2 2 340.402 3.000 20 0 EGADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC001481284699 1393158231 /nfs/dbraw/zinc/15/82/31/1393158231.db2.gz CZZVFVMKHJRUJR-HNNXBMFYSA-N 2 2 342.487 3.059 20 0 EGADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H](C)c1ccccc1 ZINC001481831706 1394549763 /nfs/dbraw/zinc/54/97/63/1394549763.db2.gz BZFZORRNRGBKQC-DOTOQJQBSA-N 2 2 336.439 3.194 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001481861798 1394565275 /nfs/dbraw/zinc/56/52/75/1394565275.db2.gz PRBMUIOFVDCKEK-HOTGVXAUSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C[NH2+]C(C)C)CCCC[C@@H]3C)ccn12 ZINC001481959519 1394620426 /nfs/dbraw/zinc/62/04/26/1394620426.db2.gz YKOKKHFMXLGEIW-YWZLYKJASA-N 2 2 342.487 3.319 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001482049736 1394712639 /nfs/dbraw/zinc/71/26/39/1394712639.db2.gz GWZXECVEYZYEHW-UHFFFAOYSA-N 2 2 348.535 3.305 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001482100902 1394747215 /nfs/dbraw/zinc/74/72/15/1394747215.db2.gz JMRJADFVKSNEFR-HOTGVXAUSA-N 2 2 344.503 3.280 20 0 EGADLP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001485320843 1395795975 /nfs/dbraw/zinc/79/59/75/1395795975.db2.gz UEGPFTLADBHNCG-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001485320843 1395795981 /nfs/dbraw/zinc/79/59/81/1395795981.db2.gz UEGPFTLADBHNCG-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001691859839 1405577440 /nfs/dbraw/zinc/57/74/40/1405577440.db2.gz BZSSDXVXGYJOHZ-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001691859839 1405577444 /nfs/dbraw/zinc/57/74/44/1405577444.db2.gz BZSSDXVXGYJOHZ-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@H+](C)CCCC(C)(C)C)CC1 ZINC001692026673 1405745480 /nfs/dbraw/zinc/74/54/80/1405745480.db2.gz UVCNDSRVBPSNHT-UHFFFAOYSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001692026673 1405745485 /nfs/dbraw/zinc/74/54/85/1405745485.db2.gz UVCNDSRVBPSNHT-UHFFFAOYSA-N 2 2 348.535 3.257 20 0 EGADLP CC[C@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC001732397000 1428564198 /nfs/dbraw/zinc/56/41/98/1428564198.db2.gz IMWXLQRPUAWVCD-KRWDZBQOSA-N 2 2 340.471 3.122 20 0 EGADLP COC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001700437272 1414005141 /nfs/dbraw/zinc/00/51/41/1414005141.db2.gz HYAZZAINYWUKGU-FAEJEUNOSA-N 2 2 347.503 3.015 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732799975 1428980000 /nfs/dbraw/zinc/98/00/00/1428980000.db2.gz UTXCIKHZAYGSRX-ROUUACIJSA-N 2 2 342.487 3.342 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732960702 1429084653 /nfs/dbraw/zinc/08/46/53/1429084653.db2.gz ZQJNJQXKEKQNDQ-CHWSQXEVSA-N 2 2 340.402 3.171 20 0 EGADLP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001733002309 1429123595 /nfs/dbraw/zinc/12/35/95/1429123595.db2.gz VPKOMKMFDXICTQ-HNNXBMFYSA-N 2 2 336.439 3.088 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001712999995 1417553236 /nfs/dbraw/zinc/55/32/36/1417553236.db2.gz PZRJFDNVEBVUMV-SJLPKXTDSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC001713413864 1418037351 /nfs/dbraw/zinc/03/73/51/1418037351.db2.gz INQDBOFBPFAEAR-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H]1CCCO1 ZINC001713548749 1418323918 /nfs/dbraw/zinc/32/39/18/1418323918.db2.gz UHCXSATUNOIFFW-SFHVURJKSA-N 2 2 347.503 3.018 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@@H]1CCCO1 ZINC001713548749 1418323922 /nfs/dbraw/zinc/32/39/22/1418323922.db2.gz UHCXSATUNOIFFW-SFHVURJKSA-N 2 2 347.503 3.018 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001714158334 1418969389 /nfs/dbraw/zinc/96/93/89/1418969389.db2.gz ZEAYFZFNWODEPA-DLBZAZTESA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001714158334 1418969392 /nfs/dbraw/zinc/96/93/92/1418969392.db2.gz ZEAYFZFNWODEPA-DLBZAZTESA-N 2 2 348.535 3.006 20 0 EGADLP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001715522459 1420209648 /nfs/dbraw/zinc/20/96/48/1420209648.db2.gz AWRGVDCBGSLDSD-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001715522459 1420209650 /nfs/dbraw/zinc/20/96/50/1420209650.db2.gz AWRGVDCBGSLDSD-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715657716 1420281412 /nfs/dbraw/zinc/28/14/12/1420281412.db2.gz INDGEYHVEPOWTO-GJZGRUSLSA-N 2 2 336.439 3.422 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715935022 1420406884 /nfs/dbraw/zinc/40/68/84/1420406884.db2.gz CXJTYOVZHNVDHK-CHWSQXEVSA-N 2 2 340.402 3.171 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001715937353 1420407969 /nfs/dbraw/zinc/40/79/69/1420407969.db2.gz JRAZEPMGSKAXEX-CVEARBPZSA-N 2 2 325.456 3.476 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715959873 1420426300 /nfs/dbraw/zinc/42/63/00/1420426300.db2.gz YYMPPXIFHDZOSE-JKSUJKDBSA-N 2 2 346.450 3.125 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715959873 1420426301 /nfs/dbraw/zinc/42/63/01/1420426301.db2.gz YYMPPXIFHDZOSE-JKSUJKDBSA-N 2 2 346.450 3.125 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001715984708 1420443471 /nfs/dbraw/zinc/44/34/71/1420443471.db2.gz HIKXSHDFDRZUEI-DLBZAZTESA-N 2 2 348.450 3.341 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@H+](C)CCC3CCCC3)ccn12 ZINC001716477529 1420693094 /nfs/dbraw/zinc/69/30/94/1420693094.db2.gz HGZGXDNRJXLQPS-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@@H+](C)CCC3CCCC3)ccn12 ZINC001716477529 1420693097 /nfs/dbraw/zinc/69/30/97/1420693097.db2.gz HGZGXDNRJXLQPS-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001716971563 1421057290 /nfs/dbraw/zinc/05/72/90/1421057290.db2.gz OXWNJSCRMOUBCC-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001717116393 1421120598 /nfs/dbraw/zinc/12/05/98/1421120598.db2.gz UFRAPXDWWLUSKM-NILIKEIBSA-N 2 2 346.862 3.062 20 0 EGADLP C[C@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717116393 1421120600 /nfs/dbraw/zinc/12/06/00/1421120600.db2.gz UFRAPXDWWLUSKM-NILIKEIBSA-N 2 2 346.862 3.062 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCC1 ZINC001717338986 1421276360 /nfs/dbraw/zinc/27/63/60/1421276360.db2.gz HPKDTROMSXWANA-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC1CCC1 ZINC001717338986 1421276361 /nfs/dbraw/zinc/27/63/61/1421276361.db2.gz HPKDTROMSXWANA-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC001717516818 1421454148 /nfs/dbraw/zinc/45/41/48/1421454148.db2.gz QOQHBEZLBQDQDQ-WMZOPIPTSA-N 2 2 342.487 3.176 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001724026435 1424634217 /nfs/dbraw/zinc/63/42/17/1424634217.db2.gz SOTBPAFHYGHXQJ-SFHVURJKSA-N 2 2 348.535 3.316 20 0 EGADLP C[C@@H](CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001724612075 1424953814 /nfs/dbraw/zinc/95/38/14/1424953814.db2.gz CQNGRDGRCGFHGG-WDSOQIARSA-N 2 2 346.519 3.147 20 0 EGADLP CCCC[C@H](C[NH2+]CC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001725234746 1425816272 /nfs/dbraw/zinc/81/62/72/1425816272.db2.gz RMPUZKIJPUPCHL-MRXNPFEDSA-N 2 2 328.460 3.013 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC001725237464 1425829360 /nfs/dbraw/zinc/82/93/60/1425829360.db2.gz CEYQXSBRKQIPTM-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC001725237464 1425829377 /nfs/dbraw/zinc/82/93/77/1425829377.db2.gz CEYQXSBRKQIPTM-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP CCC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001731866550 1428114621 /nfs/dbraw/zinc/11/46/21/1428114621.db2.gz KHXWCGUXBZAMIT-KRWDZBQOSA-N 2 2 348.535 3.100 20 0 EGADLP CCC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001731866550 1428114622 /nfs/dbraw/zinc/11/46/22/1428114622.db2.gz KHXWCGUXBZAMIT-KRWDZBQOSA-N 2 2 348.535 3.100 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001734274946 1438009305 /nfs/dbraw/zinc/00/93/05/1438009305.db2.gz VMVXXMYSCITAQM-UHFFFAOYSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001734274946 1438009314 /nfs/dbraw/zinc/00/93/14/1438009314.db2.gz VMVXXMYSCITAQM-UHFFFAOYSA-N 2 2 348.535 3.102 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734337151 1438058735 /nfs/dbraw/zinc/05/87/35/1438058735.db2.gz XZURRNWGHXZAAK-HZPDHXFCSA-N 2 2 330.476 3.067 20 0 EGADLP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001752156946 1440147309 /nfs/dbraw/zinc/14/73/09/1440147309.db2.gz JAPWBCWDKSNHSC-CVEARBPZSA-N 2 2 334.508 3.138 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001752439585 1440180953 /nfs/dbraw/zinc/18/09/53/1440180953.db2.gz KLLICQHNOVVUKO-UHFFFAOYSA-N 2 2 334.508 3.091 20 0 EGADLP C[C@H]([NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001752850084 1440233373 /nfs/dbraw/zinc/23/33/73/1440233373.db2.gz JRFQODMQGCQFMO-ZLPCBKJTSA-N 2 2 340.471 3.121 20 0 EGADLP C[C@H]([NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001752850084 1440233374 /nfs/dbraw/zinc/23/33/74/1440233374.db2.gz JRFQODMQGCQFMO-ZLPCBKJTSA-N 2 2 340.471 3.121 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992455 1440259960 /nfs/dbraw/zinc/25/99/60/1440259960.db2.gz MMGBQEBQQCHLOJ-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992455 1440259961 /nfs/dbraw/zinc/25/99/61/1440259961.db2.gz MMGBQEBQQCHLOJ-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753030179 1440272784 /nfs/dbraw/zinc/27/27/84/1440272784.db2.gz RRFYEHHTHYGMEW-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753030179 1440272785 /nfs/dbraw/zinc/27/27/85/1440272785.db2.gz RRFYEHHTHYGMEW-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)c1cccc(C)c1 ZINC001753090335 1440298667 /nfs/dbraw/zinc/29/86/67/1440298667.db2.gz ONOYXTPZMDTKIA-ROUUACIJSA-N 2 2 342.487 3.342 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)c1cccc(C)c1 ZINC001753090335 1440298668 /nfs/dbraw/zinc/29/86/68/1440298668.db2.gz ONOYXTPZMDTKIA-ROUUACIJSA-N 2 2 342.487 3.342 20 0 EGADLP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)c1cccc2[nH+]ccn21 ZINC001753213579 1440339510 /nfs/dbraw/zinc/33/95/10/1440339510.db2.gz XRIUKACYOIZYIQ-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)C)cc1 ZINC001753294569 1440351709 /nfs/dbraw/zinc/35/17/09/1440351709.db2.gz PXQVYLCSJDYBFF-GOSISDBHSA-N 2 2 342.487 3.179 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[C@H]2CC[N@@H+](CCCC(C)C)C2)c[nH+]1 ZINC001753329525 1440368521 /nfs/dbraw/zinc/36/85/21/1440368521.db2.gz AETMPWLTXXLFPK-SFHVURJKSA-N 2 2 348.535 3.191 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[C@H]2CC[N@H+](CCCC(C)C)C2)c[nH+]1 ZINC001753329525 1440368522 /nfs/dbraw/zinc/36/85/22/1440368522.db2.gz AETMPWLTXXLFPK-SFHVURJKSA-N 2 2 348.535 3.191 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330853 1440369144 /nfs/dbraw/zinc/36/91/44/1440369144.db2.gz NMPIKJDCYQNEPQ-LSDHHAIUSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330853 1440369145 /nfs/dbraw/zinc/36/91/45/1440369145.db2.gz NMPIKJDCYQNEPQ-LSDHHAIUSA-N 2 2 328.460 3.051 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753458551 1440409584 /nfs/dbraw/zinc/40/95/84/1440409584.db2.gz ILMVZDSQWBCDOS-PKOBYXMFSA-N 2 2 344.503 3.257 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753458551 1440409585 /nfs/dbraw/zinc/40/95/85/1440409585.db2.gz ILMVZDSQWBCDOS-PKOBYXMFSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001753626365 1440451446 /nfs/dbraw/zinc/45/14/46/1440451446.db2.gz FUONWIUGPYYHDG-GJZGRUSLSA-N 2 2 348.878 3.030 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001753665419 1440459968 /nfs/dbraw/zinc/45/99/68/1440459968.db2.gz XGPZPUXBUNRMSN-GVDBMIGSSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001753665419 1440459969 /nfs/dbraw/zinc/45/99/69/1440459969.db2.gz XGPZPUXBUNRMSN-GVDBMIGSSA-N 2 2 346.519 3.214 20 0 EGADLP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753715160 1440471636 /nfs/dbraw/zinc/47/16/36/1440471636.db2.gz RHYABUSYCPRTOB-SJORKVTESA-N 2 2 342.487 3.033 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001753758154 1440483505 /nfs/dbraw/zinc/48/35/05/1440483505.db2.gz APSUPKKHNVKWDC-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[N@H+](CCC1CCCC1)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001753823708 1440497358 /nfs/dbraw/zinc/49/73/58/1440497358.db2.gz OFRHHEWDPIOGAR-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CCC1CCCC1)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001753823708 1440497359 /nfs/dbraw/zinc/49/73/59/1440497359.db2.gz OFRHHEWDPIOGAR-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)CC[N@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001753856437 1440509174 /nfs/dbraw/zinc/50/91/74/1440509174.db2.gz ZXKYMNBKTRRKPZ-SFHVURJKSA-N 2 2 348.535 3.297 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001753856437 1440509175 /nfs/dbraw/zinc/50/91/75/1440509175.db2.gz ZXKYMNBKTRRKPZ-SFHVURJKSA-N 2 2 348.535 3.297 20 0 EGADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753864752 1440513743 /nfs/dbraw/zinc/51/37/43/1440513743.db2.gz VJNATYIXHLAZEG-CQSZACIVSA-N 2 2 348.516 3.103 20 0 EGADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753864752 1440513744 /nfs/dbraw/zinc/51/37/44/1440513744.db2.gz VJNATYIXHLAZEG-CQSZACIVSA-N 2 2 348.516 3.103 20 0 EGADLP Cc1ccc(C[NH2+]C/C=C\CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001754150017 1440544897 /nfs/dbraw/zinc/54/48/97/1440544897.db2.gz ABBZBBCRRCBOPG-WAYWQWQTSA-N 2 2 337.467 3.391 20 0 EGADLP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001754546160 1440627871 /nfs/dbraw/zinc/62/78/71/1440627871.db2.gz HJOSPTMKAKTLRP-MOPGFXCFSA-N 2 2 346.519 3.309 20 0 EGADLP CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001754546160 1440627872 /nfs/dbraw/zinc/62/78/72/1440627872.db2.gz HJOSPTMKAKTLRP-MOPGFXCFSA-N 2 2 346.519 3.309 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001754629670 1440647284 /nfs/dbraw/zinc/64/72/84/1440647284.db2.gz JHCREIRMQJFDFQ-UHFFFAOYSA-N 2 2 348.535 3.460 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001754833544 1440696268 /nfs/dbraw/zinc/69/62/68/1440696268.db2.gz CBCMJIHLFRBMML-QAQDUYKDSA-N 2 2 348.535 3.291 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001754833544 1440696269 /nfs/dbraw/zinc/69/62/69/1440696269.db2.gz CBCMJIHLFRBMML-QAQDUYKDSA-N 2 2 348.535 3.291 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001754956345 1440716602 /nfs/dbraw/zinc/71/66/02/1440716602.db2.gz MZLIWJJWKUUKSI-YMVWIMJXSA-N 2 2 346.519 3.145 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001755143748 1440762299 /nfs/dbraw/zinc/76/22/99/1440762299.db2.gz OQFXUJFQFVWINX-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001755143748 1440762300 /nfs/dbraw/zinc/76/23/00/1440762300.db2.gz OQFXUJFQFVWINX-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001755283253 1440801134 /nfs/dbraw/zinc/80/11/34/1440801134.db2.gz JHBBKNAWWSIDKR-UHFFFAOYSA-N 2 2 344.503 3.458 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)CCCC(C)C)ccn12 ZINC001755300907 1440808517 /nfs/dbraw/zinc/80/85/17/1440808517.db2.gz ZZNXVHWEHDARCH-HNNXBMFYSA-N 2 2 330.476 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)CCCC(C)C)ccn12 ZINC001755300907 1440808518 /nfs/dbraw/zinc/80/85/18/1440808518.db2.gz ZZNXVHWEHDARCH-HNNXBMFYSA-N 2 2 330.476 3.129 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755301895 1440808998 /nfs/dbraw/zinc/80/89/98/1440808998.db2.gz VFZCSCNAMZVBKB-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755301895 1440808999 /nfs/dbraw/zinc/80/89/99/1440808999.db2.gz VFZCSCNAMZVBKB-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755301895 1440809000 /nfs/dbraw/zinc/80/90/00/1440809000.db2.gz VFZCSCNAMZVBKB-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755301895 1440809001 /nfs/dbraw/zinc/80/90/01/1440809001.db2.gz VFZCSCNAMZVBKB-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755317484 1440816421 /nfs/dbraw/zinc/81/64/21/1440816421.db2.gz BHMROXUWZRITRT-ZWKOTPCHSA-N 2 2 342.487 3.088 20 0 EGADLP Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755317484 1440816422 /nfs/dbraw/zinc/81/64/22/1440816422.db2.gz BHMROXUWZRITRT-ZWKOTPCHSA-N 2 2 342.487 3.088 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363492 1440833215 /nfs/dbraw/zinc/83/32/15/1440833215.db2.gz JPKSNUMARVKDDB-MJGOQNOKSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363492 1440833216 /nfs/dbraw/zinc/83/32/16/1440833216.db2.gz JPKSNUMARVKDDB-MJGOQNOKSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363492 1440833217 /nfs/dbraw/zinc/83/32/17/1440833217.db2.gz JPKSNUMARVKDDB-MJGOQNOKSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363492 1440833218 /nfs/dbraw/zinc/83/32/18/1440833218.db2.gz JPKSNUMARVKDDB-MJGOQNOKSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCCC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001755534853 1440868816 /nfs/dbraw/zinc/86/88/16/1440868816.db2.gz ZSISMWGQOVQIID-QGZVFWFLSA-N 2 2 334.508 3.337 20 0 EGADLP CCCCCC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001755534853 1440868817 /nfs/dbraw/zinc/86/88/17/1440868817.db2.gz ZSISMWGQOVQIID-QGZVFWFLSA-N 2 2 334.508 3.337 20 0 EGADLP CC/C=C/CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755563247 1440875025 /nfs/dbraw/zinc/87/50/25/1440875025.db2.gz GHLHLZCBBWTGCH-SHCNBLLESA-N 2 2 340.471 3.131 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001755844593 1440932875 /nfs/dbraw/zinc/93/28/75/1440932875.db2.gz BUVDJNLTSIWLIM-HZPDHXFCSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001755844593 1440932876 /nfs/dbraw/zinc/93/28/76/1440932876.db2.gz BUVDJNLTSIWLIM-HZPDHXFCSA-N 2 2 348.535 3.241 20 0 EGADLP CC[NH2+]C1(CNC(=O)C[C@@H](C)CC)CC[NH+](Cc2ccccc2)CC1 ZINC001755851315 1440935082 /nfs/dbraw/zinc/93/50/82/1440935082.db2.gz HSIMYAXZWOPPMI-SFHVURJKSA-N 2 2 345.531 3.183 20 0 EGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810055 720123634 /nfs/dbraw/zinc/12/36/34/720123634.db2.gz JLPTYXHCBVTAPS-PZJWPPBQSA-N 2 2 343.515 3.390 20 0 EGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810055 720123638 /nfs/dbraw/zinc/12/36/38/720123638.db2.gz JLPTYXHCBVTAPS-PZJWPPBQSA-N 2 2 343.515 3.390 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1NCC1CC1 ZINC001165046177 721964650 /nfs/dbraw/zinc/96/46/50/721964650.db2.gz ICYNVPNAPSHQTK-SFHVURJKSA-N 2 2 343.519 3.452 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213355 282305499 /nfs/dbraw/zinc/30/54/99/282305499.db2.gz QIOLMGNYVDKIQQ-LSDHHAIUSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213355 282305500 /nfs/dbraw/zinc/30/55/00/282305500.db2.gz QIOLMGNYVDKIQQ-LSDHHAIUSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213355 282305502 /nfs/dbraw/zinc/30/55/02/282305502.db2.gz QIOLMGNYVDKIQQ-LSDHHAIUSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213355 282305503 /nfs/dbraw/zinc/30/55/03/282305503.db2.gz QIOLMGNYVDKIQQ-LSDHHAIUSA-N 2 2 347.532 3.139 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000037904768 202061188 /nfs/dbraw/zinc/06/11/88/202061188.db2.gz RUIVIJDDWJUYOI-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000037904768 202061193 /nfs/dbraw/zinc/06/11/93/202061193.db2.gz RUIVIJDDWJUYOI-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)C[NH+]1CCCC1 ZINC000187028141 236098489 /nfs/dbraw/zinc/09/84/89/236098489.db2.gz NQRPOUJGPWGERW-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000162918793 299291071 /nfs/dbraw/zinc/29/10/71/299291071.db2.gz LXOLQOJIYFOVAY-HNNXBMFYSA-N 2 2 347.484 3.028 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000070533501 202335724 /nfs/dbraw/zinc/33/57/24/202335724.db2.gz HRTCOFAKFSYBIE-WCQYABFASA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000070533501 202335727 /nfs/dbraw/zinc/33/57/27/202335727.db2.gz HRTCOFAKFSYBIE-WCQYABFASA-N 2 2 327.266 3.017 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000285620921 201333402 /nfs/dbraw/zinc/33/34/02/201333402.db2.gz ZJYGCUZWYCFWNA-UHFFFAOYSA-N 2 2 327.266 3.032 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000287775213 201334778 /nfs/dbraw/zinc/33/47/78/201334778.db2.gz RUOJAIDGSYAFBE-MXASKKJJSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000287775213 201334782 /nfs/dbraw/zinc/33/47/82/201334782.db2.gz RUOJAIDGSYAFBE-MXASKKJJSA-N 2 2 342.405 3.349 20 0 EGADLP Cc1c(Br)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000677762540 549327735 /nfs/dbraw/zinc/32/77/35/549327735.db2.gz MXJVEGICAUSORP-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)c3ccccn3)c2cc1C ZINC000245691204 243146163 /nfs/dbraw/zinc/14/61/63/243146163.db2.gz WCBBWDPTZSMNPJ-SJORKVTESA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)c3ccccn3)c2cc1C ZINC000245691204 243146172 /nfs/dbraw/zinc/14/61/72/243146172.db2.gz WCBBWDPTZSMNPJ-SJORKVTESA-N 2 2 338.455 3.102 20 0 EGADLP CC(C)COc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093394886 203696538 /nfs/dbraw/zinc/69/65/38/203696538.db2.gz LHKAQEQYLVYZBW-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC(C)COc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093394886 203696541 /nfs/dbraw/zinc/69/65/41/203696541.db2.gz LHKAQEQYLVYZBW-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597360 203701101 /nfs/dbraw/zinc/70/11/01/203701101.db2.gz IIVAJEHYDWJFKY-QGZVFWFLSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597360 203701102 /nfs/dbraw/zinc/70/11/02/203701102.db2.gz IIVAJEHYDWJFKY-QGZVFWFLSA-N 2 2 326.488 3.364 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000108369196 204258513 /nfs/dbraw/zinc/25/85/13/204258513.db2.gz LXMFXBXLRDDRFA-UHFFFAOYSA-N 2 2 343.515 3.275 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000109787375 204291010 /nfs/dbraw/zinc/29/10/10/204291010.db2.gz PSQJTZOARHZLCA-UHFFFAOYSA-N 2 2 331.504 3.234 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000109787375 204291012 /nfs/dbraw/zinc/29/10/12/204291012.db2.gz PSQJTZOARHZLCA-UHFFFAOYSA-N 2 2 331.504 3.234 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000108369202 204259888 /nfs/dbraw/zinc/25/98/88/204259888.db2.gz KBLQKBPHCLBVHE-IBGZPJMESA-N 2 2 348.531 3.186 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000044530248 204301189 /nfs/dbraw/zinc/30/11/89/204301189.db2.gz BLAMITRRVDPFAY-LLVKDONJSA-N 2 2 347.684 3.152 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000044530248 204301194 /nfs/dbraw/zinc/30/11/94/204301194.db2.gz BLAMITRRVDPFAY-LLVKDONJSA-N 2 2 347.684 3.152 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000127361296 205098694 /nfs/dbraw/zinc/09/86/94/205098694.db2.gz NJQVYELYIBPUKT-GFCCVEGCSA-N 2 2 338.249 3.080 20 0 EGADLP C[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccc(F)cc1 ZINC000127516214 205105022 /nfs/dbraw/zinc/10/50/22/205105022.db2.gz VLACFFDVIRHUSF-LJQANCHMSA-N 2 2 338.430 3.360 20 0 EGADLP C[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccc(F)cc1 ZINC000127516214 205105026 /nfs/dbraw/zinc/10/50/26/205105026.db2.gz VLACFFDVIRHUSF-LJQANCHMSA-N 2 2 338.430 3.360 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](CCCc2ccccc2Br)C1 ZINC000130051536 205222533 /nfs/dbraw/zinc/22/25/33/205222533.db2.gz IETAUQOTFTUXHY-CQSZACIVSA-N 2 2 325.294 3.265 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccccc2Br)C1 ZINC000130051536 205222536 /nfs/dbraw/zinc/22/25/36/205222536.db2.gz IETAUQOTFTUXHY-CQSZACIVSA-N 2 2 325.294 3.265 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571360 206200151 /nfs/dbraw/zinc/20/01/51/206200151.db2.gz XJMSHHVCZXWZPM-KZNAEPCWSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571360 206200154 /nfs/dbraw/zinc/20/01/54/206200154.db2.gz XJMSHHVCZXWZPM-KZNAEPCWSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158571360 206200158 /nfs/dbraw/zinc/20/01/58/206200158.db2.gz XJMSHHVCZXWZPM-KZNAEPCWSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158571360 206200163 /nfs/dbraw/zinc/20/01/63/206200163.db2.gz XJMSHHVCZXWZPM-KZNAEPCWSA-N 2 2 329.488 3.047 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000162228487 206391234 /nfs/dbraw/zinc/39/12/34/206391234.db2.gz URLFQXOXHHMWOM-OAQYLSRUSA-N 2 2 337.467 3.332 20 0 EGADLP CC[N@H+](CCn1nc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266530980 248347608 /nfs/dbraw/zinc/34/76/08/248347608.db2.gz FWMUYBHZLINXMB-UHFFFAOYSA-N 2 2 341.503 3.133 20 0 EGADLP CC[N@@H+](CCn1nc(C)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266530980 248347610 /nfs/dbraw/zinc/34/76/10/248347610.db2.gz FWMUYBHZLINXMB-UHFFFAOYSA-N 2 2 341.503 3.133 20 0 EGADLP Cc1csc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338444 169012440 /nfs/dbraw/zinc/01/24/40/169012440.db2.gz XUNLZLJZRASUOW-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338444 169012442 /nfs/dbraw/zinc/01/24/42/169012442.db2.gz XUNLZLJZRASUOW-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338444 169012443 /nfs/dbraw/zinc/01/24/43/169012443.db2.gz XUNLZLJZRASUOW-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338444 169012444 /nfs/dbraw/zinc/01/24/44/169012444.db2.gz XUNLZLJZRASUOW-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654341 169055576 /nfs/dbraw/zinc/05/55/76/169055576.db2.gz TXJVTPWEYUQNPW-HOTGVXAUSA-N 2 2 337.533 3.284 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654341 169055578 /nfs/dbraw/zinc/05/55/78/169055578.db2.gz TXJVTPWEYUQNPW-HOTGVXAUSA-N 2 2 337.533 3.284 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1F ZINC000378375495 169110223 /nfs/dbraw/zinc/11/02/23/169110223.db2.gz YMUKPTQCCPWZIK-KBMXLJTQSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1F ZINC000378375495 169110226 /nfs/dbraw/zinc/11/02/26/169110226.db2.gz YMUKPTQCCPWZIK-KBMXLJTQSA-N 2 2 326.843 3.163 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438018 169119961 /nfs/dbraw/zinc/11/99/61/169119961.db2.gz HXMOPGLOGUCRQU-AZUAARDMSA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438018 169119963 /nfs/dbraw/zinc/11/99/63/169119963.db2.gz HXMOPGLOGUCRQU-AZUAARDMSA-N 2 2 338.499 3.373 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2ncc(-c3ccccc3)s2)CC1 ZINC000267408516 251032168 /nfs/dbraw/zinc/03/21/68/251032168.db2.gz RDUZUINARCOZAQ-UHFFFAOYSA-N 2 2 330.501 3.248 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474143 251089893 /nfs/dbraw/zinc/08/98/93/251089893.db2.gz YTNNZXMEIBDVNW-ZIAGYGMSSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474143 251089897 /nfs/dbraw/zinc/08/98/97/251089897.db2.gz YTNNZXMEIBDVNW-ZIAGYGMSSA-N 2 2 330.407 3.064 20 0 EGADLP c1coc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]2CCCO2)c1 ZINC000177045324 207288029 /nfs/dbraw/zinc/28/80/29/207288029.db2.gz YZYSCXLGOVVFDK-SFHVURJKSA-N 2 2 338.411 3.042 20 0 EGADLP c1coc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]2CCCO2)c1 ZINC000177045324 207288033 /nfs/dbraw/zinc/28/80/33/207288033.db2.gz YZYSCXLGOVVFDK-SFHVURJKSA-N 2 2 338.411 3.042 20 0 EGADLP c1cn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)nc2s1 ZINC000268810379 252263008 /nfs/dbraw/zinc/26/30/08/252263008.db2.gz NQTVSTBWJBXMGF-UHFFFAOYSA-N 2 2 340.496 3.193 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000268813952 252265328 /nfs/dbraw/zinc/26/53/28/252265328.db2.gz LQQILDJWIFRVON-HNNXBMFYSA-N 2 2 332.879 3.179 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000268813954 252266202 /nfs/dbraw/zinc/26/62/02/252266202.db2.gz LQQILDJWIFRVON-OAHLLOKOSA-N 2 2 332.879 3.179 20 0 EGADLP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268843010 252290783 /nfs/dbraw/zinc/29/07/83/252290783.db2.gz AZHJKHZUODDYDS-AZUAARDMSA-N 2 2 333.520 3.008 20 0 EGADLP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268843010 252290785 /nfs/dbraw/zinc/29/07/85/252290785.db2.gz AZHJKHZUODDYDS-AZUAARDMSA-N 2 2 333.520 3.008 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000153742385 224150812 /nfs/dbraw/zinc/15/08/12/224150812.db2.gz SHIVMAAEGAJRTM-LLVKDONJSA-N 2 2 335.311 3.130 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000153742385 224150815 /nfs/dbraw/zinc/15/08/15/224150815.db2.gz SHIVMAAEGAJRTM-LLVKDONJSA-N 2 2 335.311 3.130 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCCC2)cc1 ZINC000154201224 533184521 /nfs/dbraw/zinc/18/45/21/533184521.db2.gz HAQUEIXPUHVVKD-CUWPLCDZSA-N 2 2 345.531 3.295 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCCC2)cc1 ZINC000154201224 533184526 /nfs/dbraw/zinc/18/45/26/533184526.db2.gz HAQUEIXPUHVVKD-CUWPLCDZSA-N 2 2 345.531 3.295 20 0 EGADLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccco1 ZINC000305148837 258015981 /nfs/dbraw/zinc/01/59/81/258015981.db2.gz OBWQJMKLZMQDSC-LJQANCHMSA-N 2 2 348.874 3.395 20 0 EGADLP CC(C)Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000328647224 258021683 /nfs/dbraw/zinc/02/16/83/258021683.db2.gz TVGUMDKMFVUUGG-PMACEKPBSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000328647224 258021684 /nfs/dbraw/zinc/02/16/84/258021684.db2.gz TVGUMDKMFVUUGG-PMACEKPBSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000328647224 258021685 /nfs/dbraw/zinc/02/16/85/258021685.db2.gz TVGUMDKMFVUUGG-PMACEKPBSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000328647224 258021686 /nfs/dbraw/zinc/02/16/86/258021686.db2.gz TVGUMDKMFVUUGG-PMACEKPBSA-N 2 2 341.503 3.059 20 0 EGADLP C[C@H]1C[C@@H]1c1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)o1 ZINC000237580123 141008554 /nfs/dbraw/zinc/00/85/54/141008554.db2.gz ZHPFBVFVHWRATD-YOEHRIQHSA-N 2 2 326.444 3.162 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC[NH2+]CC1 ZINC000237585422 141009282 /nfs/dbraw/zinc/00/92/82/141009282.db2.gz ULYCRIUQCNPFOI-CQSZACIVSA-N 2 2 326.444 3.051 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1nccs1 ZINC000246535056 141013900 /nfs/dbraw/zinc/01/39/00/141013900.db2.gz VOFQVAKCBKJWTG-HUUCEWRRSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1nccs1 ZINC000246535056 141013901 /nfs/dbraw/zinc/01/39/01/141013901.db2.gz VOFQVAKCBKJWTG-HUUCEWRRSA-N 2 2 331.485 3.215 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959862 141045650 /nfs/dbraw/zinc/04/56/50/141045650.db2.gz IOIZYPXEJMNHHY-OXJNMPFZSA-N 3 2 333.495 3.110 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959862 141045651 /nfs/dbraw/zinc/04/56/51/141045651.db2.gz IOIZYPXEJMNHHY-OXJNMPFZSA-N 3 2 333.495 3.110 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc3ccc(Cl)cn13)CCC2 ZINC000344545323 141171540 /nfs/dbraw/zinc/17/15/40/141171540.db2.gz JBUSNJDBXLODPX-CYBMUJFWSA-N 2 2 329.835 3.160 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346223935 141184536 /nfs/dbraw/zinc/18/45/36/141184536.db2.gz VFYWCGKOZMXWFE-UHFFFAOYSA-N 3 2 341.484 3.122 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000346268238 141188743 /nfs/dbraw/zinc/18/87/43/141188743.db2.gz CFUWCDYNHHGONP-ZBFHGGJFSA-N 2 2 336.439 3.058 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000346282468 141190679 /nfs/dbraw/zinc/19/06/79/141190679.db2.gz VQHFTJVMHSXVNI-GOSISDBHSA-N 2 2 341.846 3.356 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000346282468 141190680 /nfs/dbraw/zinc/19/06/80/141190680.db2.gz VQHFTJVMHSXVNI-GOSISDBHSA-N 2 2 341.846 3.356 20 0 EGADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000346619802 141205616 /nfs/dbraw/zinc/20/56/16/141205616.db2.gz DVFANFZYLVUUEO-HUUCEWRRSA-N 2 2 341.459 3.034 20 0 EGADLP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000346619802 141205617 /nfs/dbraw/zinc/20/56/17/141205617.db2.gz DVFANFZYLVUUEO-HUUCEWRRSA-N 2 2 341.459 3.034 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCC3CCCC3)CC2)CC1 ZINC000172929807 144031622 /nfs/dbraw/zinc/03/16/22/144031622.db2.gz UKYOSSGRIYFCBQ-UHFFFAOYSA-N 2 2 335.536 3.022 20 0 EGADLP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000173791822 144048874 /nfs/dbraw/zinc/04/88/74/144048874.db2.gz RTJBJOJBQSFAQB-AWEZNQCLSA-N 2 2 330.394 3.401 20 0 EGADLP C[N@H+](Cc1ccccc1OCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000173791822 144048876 /nfs/dbraw/zinc/04/88/76/144048876.db2.gz RTJBJOJBQSFAQB-AWEZNQCLSA-N 2 2 330.394 3.401 20 0 EGADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000173791822 144048878 /nfs/dbraw/zinc/04/88/78/144048878.db2.gz RTJBJOJBQSFAQB-AWEZNQCLSA-N 2 2 330.394 3.401 20 0 EGADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000173791822 144048879 /nfs/dbraw/zinc/04/88/79/144048879.db2.gz RTJBJOJBQSFAQB-AWEZNQCLSA-N 2 2 330.394 3.401 20 0 EGADLP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000178707503 144075610 /nfs/dbraw/zinc/07/56/10/144075610.db2.gz BCKDNNGGCHUNHW-RXVVDRJESA-N 2 2 339.483 3.269 20 0 EGADLP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000178707503 144075612 /nfs/dbraw/zinc/07/56/12/144075612.db2.gz BCKDNNGGCHUNHW-RXVVDRJESA-N 2 2 339.483 3.269 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732915 144097987 /nfs/dbraw/zinc/09/79/87/144097987.db2.gz VDRYNZUPHRVAIA-HNNXBMFYSA-N 2 2 347.532 3.178 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732915 144097988 /nfs/dbraw/zinc/09/79/88/144097988.db2.gz VDRYNZUPHRVAIA-HNNXBMFYSA-N 2 2 347.532 3.178 20 0 EGADLP CCSc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000186211864 144127965 /nfs/dbraw/zinc/12/79/65/144127965.db2.gz IKLHIJMRGLSHMY-SFHVURJKSA-N 2 2 334.529 3.343 20 0 EGADLP CCSc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000186211864 144127966 /nfs/dbraw/zinc/12/79/66/144127966.db2.gz IKLHIJMRGLSHMY-SFHVURJKSA-N 2 2 334.529 3.343 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cs1 ZINC000186346415 144130896 /nfs/dbraw/zinc/13/08/96/144130896.db2.gz SLIQHRQBLDMZQC-HUUCEWRRSA-N 2 2 337.533 3.418 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344626732 144201863 /nfs/dbraw/zinc/20/18/63/144201863.db2.gz KTOUQLIVOAPYNQ-SUMWQHHRSA-N 2 2 330.451 3.201 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344626732 144201864 /nfs/dbraw/zinc/20/18/64/144201864.db2.gz KTOUQLIVOAPYNQ-SUMWQHHRSA-N 2 2 330.451 3.201 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351538872 144275609 /nfs/dbraw/zinc/27/56/09/144275609.db2.gz LWMXRVUBKADJEL-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351538872 144275610 /nfs/dbraw/zinc/27/56/10/144275610.db2.gz LWMXRVUBKADJEL-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351538872 144275611 /nfs/dbraw/zinc/27/56/11/144275611.db2.gz LWMXRVUBKADJEL-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351538872 144275612 /nfs/dbraw/zinc/27/56/12/144275612.db2.gz LWMXRVUBKADJEL-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851753 144316289 /nfs/dbraw/zinc/31/62/89/144316289.db2.gz MEGHROGJGMFLKD-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851753 144316290 /nfs/dbraw/zinc/31/62/90/144316290.db2.gz MEGHROGJGMFLKD-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1c[nH+]c(CNc2cc(C[NH+]3CCSCC3)ccc2C)n1C ZINC000341379272 155258261 /nfs/dbraw/zinc/25/82/61/155258261.db2.gz BDQVYIUSNXDKFH-UHFFFAOYSA-N 2 2 330.501 3.198 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521211 152015131 /nfs/dbraw/zinc/01/51/31/152015131.db2.gz IPMXBFJXFZRIGS-WBVHZDCISA-N 2 2 334.508 3.457 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521211 152015133 /nfs/dbraw/zinc/01/51/33/152015133.db2.gz IPMXBFJXFZRIGS-WBVHZDCISA-N 2 2 334.508 3.457 20 0 EGADLP C[N@H+](CCc1cccc(NC(=O)c2ccc3[nH+]ccn3c2)c1)C1CC1 ZINC000341533391 155338602 /nfs/dbraw/zinc/33/86/02/155338602.db2.gz PFIUEDLSKFBTLG-UHFFFAOYSA-N 2 2 334.423 3.223 20 0 EGADLP C[N@@H+](CCc1cccc(NC(=O)c2ccc3[nH+]ccn3c2)c1)C1CC1 ZINC000341533391 155338605 /nfs/dbraw/zinc/33/86/05/155338605.db2.gz PFIUEDLSKFBTLG-UHFFFAOYSA-N 2 2 334.423 3.223 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(C)CCCCC3)CC2)CC1 ZINC000120655241 152289803 /nfs/dbraw/zinc/28/98/03/152289803.db2.gz DRBROZLGAJUURF-UHFFFAOYSA-N 2 2 335.536 3.022 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000120884441 152307429 /nfs/dbraw/zinc/30/74/29/152307429.db2.gz QNVPKBHPTCMLBP-UHFFFAOYSA-N 2 2 347.466 3.411 20 0 EGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(CO)c1 ZINC000122159495 152394438 /nfs/dbraw/zinc/39/44/38/152394438.db2.gz DLCPCUQJWXDXKS-SFHVURJKSA-N 2 2 346.515 3.112 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000191449038 153198588 /nfs/dbraw/zinc/19/85/88/153198588.db2.gz UZGZQISRSCVGIT-UYAOXDASSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000191449038 153198593 /nfs/dbraw/zinc/19/85/93/153198593.db2.gz UZGZQISRSCVGIT-UYAOXDASSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000191449038 153198602 /nfs/dbraw/zinc/19/86/02/153198602.db2.gz UZGZQISRSCVGIT-UYAOXDASSA-N 2 2 342.531 3.375 20 0 EGADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1 ZINC000193277295 153284850 /nfs/dbraw/zinc/28/48/50/153284850.db2.gz NGCQXJICYFEMND-KRWDZBQOSA-N 2 2 342.830 3.398 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)c[nH+]1 ZINC000193966561 153315944 /nfs/dbraw/zinc/31/59/44/153315944.db2.gz GWFBSCIHYWUWDR-VAMGGRTRSA-N 2 2 337.467 3.369 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)CC3 ZINC000346808346 286385076 /nfs/dbraw/zinc/38/50/76/286385076.db2.gz NQYTXADSRLNQGP-PMUMKWKESA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)CC3 ZINC000346808346 286385078 /nfs/dbraw/zinc/38/50/78/286385078.db2.gz NQYTXADSRLNQGP-PMUMKWKESA-N 2 2 327.472 3.106 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H]3c3ccccc3)c2cc1C ZINC000336894032 154233197 /nfs/dbraw/zinc/23/31/97/154233197.db2.gz VQWPZDRGXUJRET-QUCCMNQESA-N 2 2 335.451 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H]3c3ccccc3)c2cc1C ZINC000336894032 154233200 /nfs/dbraw/zinc/23/32/00/154233200.db2.gz VQWPZDRGXUJRET-QUCCMNQESA-N 2 2 335.451 3.461 20 0 EGADLP C[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000337381457 154323200 /nfs/dbraw/zinc/32/32/00/154323200.db2.gz DUEFUWPKYSQATE-CQSZACIVSA-N 2 2 330.395 3.426 20 0 EGADLP C[C@H](CCc1ccco1)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337388695 154326119 /nfs/dbraw/zinc/32/61/19/154326119.db2.gz JNJMEPGZHYFHGZ-CYBMUJFWSA-N 2 2 334.383 3.237 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000346997959 156236709 /nfs/dbraw/zinc/23/67/09/156236709.db2.gz DUBJDRHMOYGJES-MFKMUULPSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000346997959 156236713 /nfs/dbraw/zinc/23/67/13/156236713.db2.gz DUBJDRHMOYGJES-MFKMUULPSA-N 2 2 329.307 3.340 20 0 EGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000349008435 156316758 /nfs/dbraw/zinc/31/67/58/156316758.db2.gz OQKMLQLQXUFSJC-UHFFFAOYSA-N 2 2 327.472 3.482 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365627944 157196304 /nfs/dbraw/zinc/19/63/04/157196304.db2.gz KWENEGJUNREOLT-AWEZNQCLSA-N 2 2 347.846 3.240 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365627944 157196308 /nfs/dbraw/zinc/19/63/08/157196308.db2.gz KWENEGJUNREOLT-AWEZNQCLSA-N 2 2 347.846 3.240 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000365658534 157207595 /nfs/dbraw/zinc/20/75/95/157207595.db2.gz DSLOHNNPLGBDEJ-AWEZNQCLSA-N 2 2 339.468 3.318 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000365658534 157207601 /nfs/dbraw/zinc/20/76/01/157207601.db2.gz DSLOHNNPLGBDEJ-AWEZNQCLSA-N 2 2 339.468 3.318 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000368694772 157266982 /nfs/dbraw/zinc/26/69/82/157266982.db2.gz OLHNOUHTEVCVBJ-MRXNPFEDSA-N 2 2 329.444 3.266 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(C)C ZINC000093597097 162016823 /nfs/dbraw/zinc/01/68/23/162016823.db2.gz NFWLQKCLHKBWKN-SFHVURJKSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(C)C ZINC000093597097 162016827 /nfs/dbraw/zinc/01/68/27/162016827.db2.gz NFWLQKCLHKBWKN-SFHVURJKSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000126823744 162314048 /nfs/dbraw/zinc/31/40/48/162314048.db2.gz XIQXZAYVSMVZIP-VXNCWWDNSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000126823744 162314051 /nfs/dbraw/zinc/31/40/51/162314051.db2.gz XIQXZAYVSMVZIP-VXNCWWDNSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126823744 162314054 /nfs/dbraw/zinc/31/40/54/162314054.db2.gz XIQXZAYVSMVZIP-VXNCWWDNSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126823744 162314057 /nfs/dbraw/zinc/31/40/57/162314057.db2.gz XIQXZAYVSMVZIP-VXNCWWDNSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000248497632 163009092 /nfs/dbraw/zinc/00/90/92/163009092.db2.gz LYLUOXZYDJAJCH-HLLBOEOZSA-N 2 2 330.501 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000248497632 163009095 /nfs/dbraw/zinc/00/90/95/163009095.db2.gz LYLUOXZYDJAJCH-HLLBOEOZSA-N 2 2 330.501 3.142 20 0 EGADLP CCCCn1c(SC[C@@H]2CC[N@H+](C)C2)nnc1[C@H](CC)[NH+](C)C ZINC000248983519 163049680 /nfs/dbraw/zinc/04/96/80/163049680.db2.gz WDUNINHLXRGURF-CABCVRRESA-N 2 2 339.553 3.135 20 0 EGADLP CCCCn1c(SC[C@@H]2CC[N@@H+](C)C2)nnc1[C@H](CC)[NH+](C)C ZINC000248983519 163049683 /nfs/dbraw/zinc/04/96/83/163049683.db2.gz WDUNINHLXRGURF-CABCVRRESA-N 2 2 339.553 3.135 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000305161548 163075949 /nfs/dbraw/zinc/07/59/49/163075949.db2.gz XDQMMYJLAYLKPC-BDAKNGLRSA-N 2 2 325.667 3.220 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2n1C ZINC000354311319 166001472 /nfs/dbraw/zinc/00/14/72/166001472.db2.gz JYFHVGDXIWGKGY-UHFFFAOYSA-N 2 2 342.487 3.266 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2n1C ZINC000354311319 166001473 /nfs/dbraw/zinc/00/14/73/166001473.db2.gz JYFHVGDXIWGKGY-UHFFFAOYSA-N 2 2 342.487 3.266 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000338331492 163212937 /nfs/dbraw/zinc/21/29/37/163212937.db2.gz IMUAYBPOQDPTBF-QGZVFWFLSA-N 2 2 339.487 3.072 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000338331492 163212938 /nfs/dbraw/zinc/21/29/38/163212938.db2.gz IMUAYBPOQDPTBF-QGZVFWFLSA-N 2 2 339.487 3.072 20 0 EGADLP c1cc(N2CC[NH+](CCC[NH2+]C(C3CCC3)C3CCC3)CC2)cc[nH+]1 ZINC000338774203 163345391 /nfs/dbraw/zinc/34/53/91/163345391.db2.gz HEIUGNPCBLBWPO-UHFFFAOYSA-N 3 2 342.531 3.152 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000340705790 163650511 /nfs/dbraw/zinc/65/05/11/163650511.db2.gz BDUQYUIUCVWSIP-UHFFFAOYSA-N 2 2 325.243 3.049 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000343849863 164050576 /nfs/dbraw/zinc/05/05/76/164050576.db2.gz WBKWFRWTRQHALD-OAHLLOKOSA-N 2 2 339.487 3.254 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@H]2c2ccnn2C(C)C)c[nH+]1 ZINC000344250958 164137459 /nfs/dbraw/zinc/13/74/59/164137459.db2.gz INLPBKITYSATKB-PKOBYXMFSA-N 2 2 328.460 3.220 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@@H+]1C ZINC000344319323 164155696 /nfs/dbraw/zinc/15/56/96/164155696.db2.gz BRXPRSIYMSCKEL-JXFKEZNVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@H+]1C ZINC000344319323 164155699 /nfs/dbraw/zinc/15/56/99/164155699.db2.gz BRXPRSIYMSCKEL-JXFKEZNVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000345283154 164203007 /nfs/dbraw/zinc/20/30/07/164203007.db2.gz SVQGNUDVFYFWOX-KBXCAEBGSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@H]1[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000345283154 164203008 /nfs/dbraw/zinc/20/30/08/164203008.db2.gz SVQGNUDVFYFWOX-KBXCAEBGSA-N 2 2 340.427 3.478 20 0 EGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000346034107 164323023 /nfs/dbraw/zinc/32/30/23/164323023.db2.gz DSUAYDKTGGAZPP-LJQANCHMSA-N 2 2 332.451 3.462 20 0 EGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000346034107 164323026 /nfs/dbraw/zinc/32/30/26/164323026.db2.gz DSUAYDKTGGAZPP-LJQANCHMSA-N 2 2 332.451 3.462 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1 ZINC000354855651 166049644 /nfs/dbraw/zinc/04/96/44/166049644.db2.gz UWTVYPUDZUCHLD-KSSFIOAISA-N 2 2 349.438 3.132 20 0 EGADLP Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)o1 ZINC000346348622 164373222 /nfs/dbraw/zinc/37/32/22/164373222.db2.gz OUCMRMVSFWKSOX-UHFFFAOYSA-N 2 2 335.411 3.259 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543542 164394168 /nfs/dbraw/zinc/39/41/68/164394168.db2.gz XJSMMCFRIHERSF-KBRIMQKVSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543542 164394170 /nfs/dbraw/zinc/39/41/70/164394170.db2.gz XJSMMCFRIHERSF-KBRIMQKVSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543542 164394172 /nfs/dbraw/zinc/39/41/72/164394172.db2.gz XJSMMCFRIHERSF-KBRIMQKVSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543542 164394174 /nfs/dbraw/zinc/39/41/74/164394174.db2.gz XJSMMCFRIHERSF-KBRIMQKVSA-N 2 2 343.437 3.238 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000354933838 166068037 /nfs/dbraw/zinc/06/80/37/166068037.db2.gz HSZAMBVBEICKRM-HOTGVXAUSA-N 2 2 330.394 3.396 20 0 EGADLP C[C@@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945924 166071160 /nfs/dbraw/zinc/07/11/60/166071160.db2.gz FENFMXUMGOCSCA-QZTJIDSGSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945924 166071163 /nfs/dbraw/zinc/07/11/63/166071163.db2.gz FENFMXUMGOCSCA-QZTJIDSGSA-N 2 2 349.563 3.220 20 0 EGADLP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351590329 165101415 /nfs/dbraw/zinc/10/14/15/165101415.db2.gz ULKKCVKHMJUOGA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000351590329 165101417 /nfs/dbraw/zinc/10/14/17/165101417.db2.gz ULKKCVKHMJUOGA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP C[NH+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000351590329 165101422 /nfs/dbraw/zinc/10/14/22/165101422.db2.gz ULKKCVKHMJUOGA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP C[NH+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351590329 165101425 /nfs/dbraw/zinc/10/14/25/165101425.db2.gz ULKKCVKHMJUOGA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000351906812 165145140 /nfs/dbraw/zinc/14/51/40/165145140.db2.gz ZQVITMUBXNVRBC-MOPGFXCFSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000351906812 165145143 /nfs/dbraw/zinc/14/51/43/165145143.db2.gz ZQVITMUBXNVRBC-MOPGFXCFSA-N 2 2 343.515 3.357 20 0 EGADLP C[C@H]1CN(Cc2ccc(F)cc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355036596 166090535 /nfs/dbraw/zinc/09/05/35/166090535.db2.gz WSTFXWLVJBASNQ-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2ccc(F)cc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355036596 166090536 /nfs/dbraw/zinc/09/05/36/166090536.db2.gz WSTFXWLVJBASNQ-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP CCOC(=O)c1coc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000355130662 166114263 /nfs/dbraw/zinc/11/42/63/166114263.db2.gz XVWHSUQEGYPKHL-UHFFFAOYSA-N 2 2 344.411 3.203 20 0 EGADLP CC[C@@H](CC(F)(F)F)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000355138449 166115886 /nfs/dbraw/zinc/11/58/86/166115886.db2.gz WIKFNUIGNZDHSI-JTQLQIEISA-N 2 2 336.321 3.353 20 0 EGADLP CCC[N@H+](C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000355587677 166252177 /nfs/dbraw/zinc/25/21/77/166252177.db2.gz BMSFUECVLFXJJR-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP CCC[N@@H+](C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000355587677 166252178 /nfs/dbraw/zinc/25/21/78/166252178.db2.gz BMSFUECVLFXJJR-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000359052911 167050953 /nfs/dbraw/zinc/05/09/53/167050953.db2.gz HCWNJSTXNMFDDN-OALUTQOASA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000359052911 167050956 /nfs/dbraw/zinc/05/09/56/167050956.db2.gz HCWNJSTXNMFDDN-OALUTQOASA-N 2 2 328.456 3.047 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000359192578 167092126 /nfs/dbraw/zinc/09/21/26/167092126.db2.gz PQKULFVMBBRVAA-KRWDZBQOSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000359192578 167092128 /nfs/dbraw/zinc/09/21/28/167092128.db2.gz PQKULFVMBBRVAA-KRWDZBQOSA-N 2 2 326.843 3.242 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320829 167125223 /nfs/dbraw/zinc/12/52/23/167125223.db2.gz KNXDLVVXJTXRSG-NJAPINKUSA-N 2 2 329.444 3.303 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320829 167125226 /nfs/dbraw/zinc/12/52/26/167125226.db2.gz KNXDLVVXJTXRSG-NJAPINKUSA-N 2 2 329.444 3.303 20 0 EGADLP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000359576061 167198429 /nfs/dbraw/zinc/19/84/29/167198429.db2.gz ATMULSIQLAFCAY-CQSZACIVSA-N 2 2 339.370 3.435 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)c1cn(C)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000359663346 167204772 /nfs/dbraw/zinc/20/47/72/167204772.db2.gz MOKSGQHIODKFOZ-BEFAXECRSA-N 2 2 326.488 3.216 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)c1cn(C)nc1C)[N@H+]1CCc2ccccc2C1 ZINC000359663346 167204776 /nfs/dbraw/zinc/20/47/76/167204776.db2.gz MOKSGQHIODKFOZ-BEFAXECRSA-N 2 2 326.488 3.216 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)CC3CC[NH+](C)CC3)c2)[nH+]c1C ZINC000365958631 168064476 /nfs/dbraw/zinc/06/44/76/168064476.db2.gz BGJKLARRHXBDEO-UHFFFAOYSA-N 2 2 326.444 3.364 20 0 EGADLP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nn2)cc1 ZINC000365964298 168065510 /nfs/dbraw/zinc/06/55/10/168065510.db2.gz BRAZKNNAUAVEDV-ZDUSSCGKSA-N 2 2 342.834 3.023 20 0 EGADLP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)nn2)cc1 ZINC000365964298 168065512 /nfs/dbraw/zinc/06/55/12/168065512.db2.gz BRAZKNNAUAVEDV-ZDUSSCGKSA-N 2 2 342.834 3.023 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000367184094 168190352 /nfs/dbraw/zinc/19/03/52/168190352.db2.gz FGDCPJZKTHUWOS-SJORKVTESA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000367184094 168190354 /nfs/dbraw/zinc/19/03/54/168190354.db2.gz FGDCPJZKTHUWOS-SJORKVTESA-N 2 2 349.544 3.218 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000367378841 168217397 /nfs/dbraw/zinc/21/73/97/168217397.db2.gz VHYQMTPPORQBJE-UHFFFAOYSA-N 2 2 343.515 3.484 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc(OC)c1OC ZINC000367437641 168224733 /nfs/dbraw/zinc/22/47/33/168224733.db2.gz JEVPSRJHWSCTNR-ZDUSSCGKSA-N 2 2 345.443 3.096 20 0 EGADLP CC1CCC(N(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C2CC2)CC1 ZINC000367588539 168245533 /nfs/dbraw/zinc/24/55/33/168245533.db2.gz WXRHHTSGQNWRGZ-XJFWBRLCSA-N 2 2 347.547 3.113 20 0 EGADLP CC1CCC(N(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C2CC2)CC1 ZINC000367588539 168245534 /nfs/dbraw/zinc/24/55/34/168245534.db2.gz WXRHHTSGQNWRGZ-XJFWBRLCSA-N 2 2 347.547 3.113 20 0 EGADLP CC1CCC(N(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C2CC2)CC1 ZINC000367588539 168245536 /nfs/dbraw/zinc/24/55/36/168245536.db2.gz WXRHHTSGQNWRGZ-XJFWBRLCSA-N 2 2 347.547 3.113 20 0 EGADLP CC1CCC(N(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)CC1 ZINC000367588539 168245538 /nfs/dbraw/zinc/24/55/38/168245538.db2.gz WXRHHTSGQNWRGZ-XJFWBRLCSA-N 2 2 347.547 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000367702090 168260662 /nfs/dbraw/zinc/26/06/62/168260662.db2.gz MBRKFCUFBJTKOD-NSHDSACASA-N 2 2 343.324 3.447 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000367702090 168260664 /nfs/dbraw/zinc/26/06/64/168260664.db2.gz MBRKFCUFBJTKOD-NSHDSACASA-N 2 2 343.324 3.447 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106531857 287264981 /nfs/dbraw/zinc/26/49/81/287264981.db2.gz ZUPIKQXBTLNXGE-IAGOWNOFSA-N 2 2 347.507 3.301 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106531857 287264983 /nfs/dbraw/zinc/26/49/83/287264983.db2.gz ZUPIKQXBTLNXGE-IAGOWNOFSA-N 2 2 347.507 3.301 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324740 265525001 /nfs/dbraw/zinc/52/50/01/265525001.db2.gz JYMNZCXADSFKDO-LQWHRVPQSA-N 2 2 345.531 3.449 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194362270 266110685 /nfs/dbraw/zinc/11/06/85/266110685.db2.gz IDXVOABIAHPBRI-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194362270 266110689 /nfs/dbraw/zinc/11/06/89/266110689.db2.gz IDXVOABIAHPBRI-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000195652371 266189773 /nfs/dbraw/zinc/18/97/73/266189773.db2.gz OVBRWUACVVRXGA-YADHBBJMSA-N 2 2 338.495 3.393 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000195652371 266189776 /nfs/dbraw/zinc/18/97/76/266189776.db2.gz OVBRWUACVVRXGA-YADHBBJMSA-N 2 2 338.495 3.393 20 0 EGADLP C[C@@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000272621937 266884103 /nfs/dbraw/zinc/88/41/03/266884103.db2.gz YJSQWBGZEOQBEQ-MRXNPFEDSA-N 2 2 348.384 3.040 20 0 EGADLP Cc1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)n2)cc1 ZINC000274330668 267218104 /nfs/dbraw/zinc/21/81/04/267218104.db2.gz FSFVAUPAEYAVEO-UHFFFAOYSA-N 2 2 349.438 3.071 20 0 EGADLP CCn1nc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c2ccccc21 ZINC000274423448 267234942 /nfs/dbraw/zinc/23/49/42/267234942.db2.gz KTIPWJNCQHECRI-UHFFFAOYSA-N 2 2 344.503 3.035 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000274717891 267276723 /nfs/dbraw/zinc/27/67/23/267276723.db2.gz BORMDEGIRHZHQP-HOTGVXAUSA-N 2 2 347.503 3.185 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000274819274 267291077 /nfs/dbraw/zinc/29/10/77/267291077.db2.gz RTAUSUISFARXNS-MGPUTAFESA-N 2 2 337.467 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000274819274 267291078 /nfs/dbraw/zinc/29/10/78/267291078.db2.gz RTAUSUISFARXNS-MGPUTAFESA-N 2 2 337.467 3.330 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974823 267314025 /nfs/dbraw/zinc/31/40/25/267314025.db2.gz YLMHNZOONYRMJL-UYAOXDASSA-N 3 2 338.499 3.384 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974823 267314027 /nfs/dbraw/zinc/31/40/27/267314027.db2.gz YLMHNZOONYRMJL-UYAOXDASSA-N 3 2 338.499 3.384 20 0 EGADLP C[NH+](C)C1(CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CCCCC1 ZINC000275574972 267384303 /nfs/dbraw/zinc/38/43/03/267384303.db2.gz BFVPDKKMGSGJKL-KRWDZBQOSA-N 2 2 330.451 3.492 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278548913 268037875 /nfs/dbraw/zinc/03/78/75/268037875.db2.gz HBTNGSAIDAEDAG-KRWDZBQOSA-N 2 2 345.487 3.024 20 0 EGADLP C[N@H+](Cc1ccc(F)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265892 275217685 /nfs/dbraw/zinc/21/76/85/275217685.db2.gz CBCKERMRWUIXOK-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1ccc(F)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265892 275217686 /nfs/dbraw/zinc/21/76/86/275217686.db2.gz CBCKERMRWUIXOK-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)c(F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188265892 275217688 /nfs/dbraw/zinc/21/76/88/275217688.db2.gz CBCKERMRWUIXOK-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)c(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188265892 275217689 /nfs/dbraw/zinc/21/76/89/275217689.db2.gz CBCKERMRWUIXOK-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379840 275255845 /nfs/dbraw/zinc/25/58/45/275255845.db2.gz CISXUAAHAXXOMD-NQIIRXRSSA-N 2 2 339.483 3.262 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379840 275255846 /nfs/dbraw/zinc/25/58/46/275255846.db2.gz CISXUAAHAXXOMD-NQIIRXRSSA-N 2 2 339.483 3.262 20 0 EGADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccccc1 ZINC000278935016 275289117 /nfs/dbraw/zinc/28/91/17/275289117.db2.gz TXCSWHPMKRLIIE-UHFFFAOYSA-N 2 2 338.455 3.038 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000279098280 275303702 /nfs/dbraw/zinc/30/37/02/275303702.db2.gz AHPXDYBYSSQOKI-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1C ZINC000280057141 275398693 /nfs/dbraw/zinc/39/86/93/275398693.db2.gz WNISONUWOSGFMD-KMFMINBZSA-N 2 2 345.418 3.079 20 0 EGADLP C[NH+](C)C[C@H](NCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000282946509 275685828 /nfs/dbraw/zinc/68/58/28/275685828.db2.gz XMGQSAWJDALDRM-KRWDZBQOSA-N 2 2 328.847 3.380 20 0 EGADLP CCC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938770 276044946 /nfs/dbraw/zinc/04/49/46/276044946.db2.gz SDQXPWKAGPQSIX-IRXDYDNUSA-N 2 2 343.437 3.382 20 0 EGADLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938770 276044947 /nfs/dbraw/zinc/04/49/47/276044947.db2.gz SDQXPWKAGPQSIX-IRXDYDNUSA-N 2 2 343.437 3.382 20 0 EGADLP COCCC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(Br)cc1 ZINC000287138649 276088454 /nfs/dbraw/zinc/08/84/54/276088454.db2.gz SCCQZKXMSFHUNO-OAHLLOKOSA-N 2 2 329.282 3.068 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1nncn1C ZINC000287249024 276100613 /nfs/dbraw/zinc/10/06/13/276100613.db2.gz PKIMJSFAMHICHJ-BRWVUGGUSA-N 2 2 341.503 3.144 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCO1 ZINC000287455309 276121090 /nfs/dbraw/zinc/12/10/90/276121090.db2.gz LOZICUXIDNOFKV-BPQIPLTHSA-N 2 2 343.475 3.275 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000287492749 276124762 /nfs/dbraw/zinc/12/47/62/276124762.db2.gz KYEVOQVGGUNOTL-RDJZCZTQSA-N 2 2 328.460 3.179 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287492749 276124763 /nfs/dbraw/zinc/12/47/63/276124763.db2.gz KYEVOQVGGUNOTL-RDJZCZTQSA-N 2 2 328.460 3.179 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000287535779 276130064 /nfs/dbraw/zinc/13/00/64/276130064.db2.gz DUVGGSKMEZTNBT-CVEARBPZSA-N 2 2 339.361 3.131 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288731827 276246300 /nfs/dbraw/zinc/24/63/00/276246300.db2.gz FQYRQVYFFMGWAY-FUHWJXTLSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288731827 276246301 /nfs/dbraw/zinc/24/63/01/276246301.db2.gz FQYRQVYFFMGWAY-FUHWJXTLSA-N 2 2 338.455 3.483 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000288769631 276250819 /nfs/dbraw/zinc/25/08/19/276250819.db2.gz KHACELIGPNSBIH-HNNXBMFYSA-N 2 2 343.475 3.329 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000288769631 276250821 /nfs/dbraw/zinc/25/08/21/276250821.db2.gz KHACELIGPNSBIH-HNNXBMFYSA-N 2 2 343.475 3.329 20 0 EGADLP COc1ccccc1N1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289233567 276308800 /nfs/dbraw/zinc/30/88/00/276308800.db2.gz YUNRYIOZSFMYLU-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CC(C)n1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000289528631 276353159 /nfs/dbraw/zinc/35/31/59/276353159.db2.gz BQSAGXQOCGOJDU-IAGOWNOFSA-N 2 2 341.503 3.105 20 0 EGADLP COC(=O)COc1ccc(C[N@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289620583 276367327 /nfs/dbraw/zinc/36/73/27/276367327.db2.gz JWBOSQWROAGMJO-UHFFFAOYSA-N 2 2 342.439 3.006 20 0 EGADLP COC(=O)COc1ccc(C[N@@H+](C)CCCc2c[nH+]ccc2C)cc1 ZINC000289620583 276367328 /nfs/dbraw/zinc/36/73/28/276367328.db2.gz JWBOSQWROAGMJO-UHFFFAOYSA-N 2 2 342.439 3.006 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccc2ccccc21 ZINC000289655937 276373128 /nfs/dbraw/zinc/37/31/28/276373128.db2.gz ILOLCRRDPGXOHS-BBWFWOEESA-N 2 2 327.472 3.385 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccc2ccccc21 ZINC000289655937 276373129 /nfs/dbraw/zinc/37/31/29/276373129.db2.gz ILOLCRRDPGXOHS-BBWFWOEESA-N 2 2 327.472 3.385 20 0 EGADLP FC(F)(F)c1ccc(Br)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000289702337 276380739 /nfs/dbraw/zinc/38/07/39/276380739.db2.gz BUYAOMUVTMTNNT-UHFFFAOYSA-N 2 2 348.166 3.454 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)C[NH+]1CCOCC1 ZINC000153190078 278285934 /nfs/dbraw/zinc/28/59/34/278285934.db2.gz OJCIZUXACHOLIR-KCQAQPDRSA-N 2 2 326.531 3.231 20 0 EGADLP CC(C)N(C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1)C1CCCC1 ZINC000359300718 279274753 /nfs/dbraw/zinc/27/47/53/279274753.db2.gz HAIMUUMENXXBRQ-UHFFFAOYSA-N 2 2 331.504 3.017 20 0 EGADLP CC(C)N(C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1)C1CCCC1 ZINC000359300718 279274755 /nfs/dbraw/zinc/27/47/55/279274755.db2.gz HAIMUUMENXXBRQ-UHFFFAOYSA-N 2 2 331.504 3.017 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccsc2S1 ZINC000151279378 279968338 /nfs/dbraw/zinc/96/83/38/279968338.db2.gz CIRQKLDPRDYENX-GZBFAFLISA-N 2 2 326.531 3.110 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530184 289280722 /nfs/dbraw/zinc/28/07/22/289280722.db2.gz AOQBYWRYFCKWKE-IRXDYDNUSA-N 2 2 347.507 3.157 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241630868 290128642 /nfs/dbraw/zinc/12/86/42/290128642.db2.gz PLZAKWKRFLRXOI-SUMWQHHRSA-N 2 2 326.843 3.241 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241630868 290128644 /nfs/dbraw/zinc/12/86/44/290128644.db2.gz PLZAKWKRFLRXOI-SUMWQHHRSA-N 2 2 326.843 3.241 20 0 EGADLP Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000153521644 294113202 /nfs/dbraw/zinc/11/32/02/294113202.db2.gz QKTVJEIKBXEXRT-DNVCBOLYSA-N 2 2 334.891 3.372 20 0 EGADLP Clc1cccc2c1CC[C@H]2[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000153521644 294113208 /nfs/dbraw/zinc/11/32/08/294113208.db2.gz QKTVJEIKBXEXRT-DNVCBOLYSA-N 2 2 334.891 3.372 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000367088907 303112941 /nfs/dbraw/zinc/11/29/41/303112941.db2.gz YMMSJHDDICTOQC-HNNXBMFYSA-N 2 2 334.426 3.342 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000125601156 307557359 /nfs/dbraw/zinc/55/73/59/307557359.db2.gz HXYLJILBIKUPHK-IBGZPJMESA-N 2 2 331.423 3.447 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265833 309069439 /nfs/dbraw/zinc/06/94/39/309069439.db2.gz LTMHNLOSNYLDBF-LPHOPBHVSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265833 309069440 /nfs/dbraw/zinc/06/94/40/309069440.db2.gz LTMHNLOSNYLDBF-LPHOPBHVSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(F)(F)F ZINC000414284675 309070518 /nfs/dbraw/zinc/07/05/18/309070518.db2.gz QWFKTAHTFKVBQS-LZWOXQAQSA-N 2 2 329.410 3.470 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(F)(F)F ZINC000414284675 309070519 /nfs/dbraw/zinc/07/05/19/309070519.db2.gz QWFKTAHTFKVBQS-LZWOXQAQSA-N 2 2 329.410 3.470 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1C ZINC000414317802 309072627 /nfs/dbraw/zinc/07/26/27/309072627.db2.gz WLGDUVGZZFAZKA-IRXDYDNUSA-N 2 2 340.515 3.496 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414321460 309072805 /nfs/dbraw/zinc/07/28/05/309072805.db2.gz FABWTVCSZMYSNH-CYBMUJFWSA-N 2 2 346.500 3.207 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3cccc(Br)c3)CC2)n1C ZINC000414360258 309075238 /nfs/dbraw/zinc/07/52/38/309075238.db2.gz QMCGGPKTBRUBIA-UHFFFAOYSA-N 2 2 349.276 3.028 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(Br)c1 ZINC000292845323 308071892 /nfs/dbraw/zinc/07/18/92/308071892.db2.gz PZMZLSKGLQIOGW-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(Br)c1 ZINC000292845323 308071893 /nfs/dbraw/zinc/07/18/93/308071893.db2.gz PZMZLSKGLQIOGW-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnc(Br)c1 ZINC000292845323 308071894 /nfs/dbraw/zinc/07/18/94/308071894.db2.gz PZMZLSKGLQIOGW-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccnc(Br)c1 ZINC000292845323 308071895 /nfs/dbraw/zinc/07/18/95/308071895.db2.gz PZMZLSKGLQIOGW-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292978546 308086111 /nfs/dbraw/zinc/08/61/11/308086111.db2.gz MVSMYMOISGNYBX-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292978546 308086112 /nfs/dbraw/zinc/08/61/12/308086112.db2.gz MVSMYMOISGNYBX-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292978546 308086114 /nfs/dbraw/zinc/08/61/14/308086114.db2.gz MVSMYMOISGNYBX-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292978546 308086116 /nfs/dbraw/zinc/08/61/16/308086116.db2.gz MVSMYMOISGNYBX-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)n2)cc1 ZINC000293036833 308092781 /nfs/dbraw/zinc/09/27/81/308092781.db2.gz RZMUOBJCOHVHDE-FQEVSTJZSA-N 2 2 340.471 3.217 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)n2)cc1 ZINC000293036833 308092783 /nfs/dbraw/zinc/09/27/83/308092783.db2.gz RZMUOBJCOHVHDE-FQEVSTJZSA-N 2 2 340.471 3.217 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)n2)cc1 ZINC000293036833 308092784 /nfs/dbraw/zinc/09/27/84/308092784.db2.gz RZMUOBJCOHVHDE-FQEVSTJZSA-N 2 2 340.471 3.217 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)n2)cc1 ZINC000293036833 308092786 /nfs/dbraw/zinc/09/27/86/308092786.db2.gz RZMUOBJCOHVHDE-FQEVSTJZSA-N 2 2 340.471 3.217 20 0 EGADLP CC(C)[C@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094971 308099086 /nfs/dbraw/zinc/09/90/86/308099086.db2.gz KRIAGOPFWLYKPO-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094971 308099088 /nfs/dbraw/zinc/09/90/88/308099088.db2.gz KRIAGOPFWLYKPO-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094971 308099090 /nfs/dbraw/zinc/09/90/90/308099090.db2.gz KRIAGOPFWLYKPO-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094971 308099092 /nfs/dbraw/zinc/09/90/92/308099092.db2.gz KRIAGOPFWLYKPO-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000293574450 308143256 /nfs/dbraw/zinc/14/32/56/308143256.db2.gz NDYZXOMZKUDWCA-ZBFHGGJFSA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000293574450 308143257 /nfs/dbraw/zinc/14/32/57/308143257.db2.gz NDYZXOMZKUDWCA-ZBFHGGJFSA-N 2 2 340.895 3.272 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293632785 308147965 /nfs/dbraw/zinc/14/79/65/308147965.db2.gz HQUJYMMNKHUDBS-BFYDXBDKSA-N 2 2 347.532 3.303 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295108120 308292078 /nfs/dbraw/zinc/29/20/78/308292078.db2.gz LHICVOMVXPFGFD-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295108120 308292080 /nfs/dbraw/zinc/29/20/80/308292080.db2.gz LHICVOMVXPFGFD-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1F ZINC000295859092 308368155 /nfs/dbraw/zinc/36/81/55/308368155.db2.gz GLASQTODZOOHBZ-MLGOLLRUSA-N 2 2 325.391 3.312 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CO2 ZINC000295888653 308371415 /nfs/dbraw/zinc/37/14/15/308371415.db2.gz IBCZYDLPBYWYJL-LJQANCHMSA-N 2 2 349.434 3.033 20 0 EGADLP Brc1ccccc1C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000295904115 308372976 /nfs/dbraw/zinc/37/29/76/308372976.db2.gz IWKNFWXAJHCMLD-MRXNPFEDSA-N 2 2 334.261 3.257 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@@H]3C[C@H](C)n4cc[nH+]c43)c(C)c2)CC1 ZINC000296964056 308484788 /nfs/dbraw/zinc/48/47/88/308484788.db2.gz RETBAHTWAGRBLN-QFBILLFUSA-N 2 2 339.487 3.451 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414798293 309102122 /nfs/dbraw/zinc/10/21/22/309102122.db2.gz QBZQWAGDUAUDJK-NSHDSACASA-N 2 2 337.208 3.123 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000423363173 309396894 /nfs/dbraw/zinc/39/68/94/309396894.db2.gz NOYBVGCPIXFDJC-VXGBXAGGSA-N 2 2 327.266 3.250 20 0 EGADLP Cc1nc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000301679558 308710582 /nfs/dbraw/zinc/71/05/82/308710582.db2.gz JBSTZBVKVGACJT-HUUCEWRRSA-N 2 2 346.519 3.118 20 0 EGADLP Nc1nc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]c2ccccc12 ZINC000301884632 308720077 /nfs/dbraw/zinc/72/00/77/308720077.db2.gz JODMCQRPKQKSKR-UHFFFAOYSA-N 2 2 325.460 3.421 20 0 EGADLP FC(F)(F)c1cc(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414842630 309105061 /nfs/dbraw/zinc/10/50/61/309105061.db2.gz IWDSURXIYSIGJX-LBPRGKRZSA-N 2 2 337.183 3.310 20 0 EGADLP Brc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Br ZINC000414845720 309105140 /nfs/dbraw/zinc/10/51/40/309105140.db2.gz MLBVARVYLWOHRY-SNVBAGLBSA-N 2 2 348.082 3.053 20 0 EGADLP Cc1cc(C)c(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)[nH+]1 ZINC000332071292 308825290 /nfs/dbraw/zinc/82/52/90/308825290.db2.gz CHRHJQNQZNIWAR-UHFFFAOYSA-N 2 2 339.443 3.192 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849500 309105451 /nfs/dbraw/zinc/10/54/51/309105451.db2.gz RJEZELYRCICQAH-KRWDZBQOSA-N 2 2 332.879 3.043 20 0 EGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414852222 309105644 /nfs/dbraw/zinc/10/56/44/309105644.db2.gz QNGOWIIREAUCAY-CYBMUJFWSA-N 2 2 333.457 3.002 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414864614 309106225 /nfs/dbraw/zinc/10/62/25/309106225.db2.gz BSJCTRGGNPFQKB-KOLCDFICSA-N 2 2 349.784 3.027 20 0 EGADLP Cc1cc(Br)cc(C[NH2+]CC2([NH3+])CCC2)c1OC(F)F ZINC000414879091 309106843 /nfs/dbraw/zinc/10/68/43/309106843.db2.gz OYJRWDIMDAYYGZ-UHFFFAOYSA-N 2 2 349.219 3.330 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)c1 ZINC000414886374 309107285 /nfs/dbraw/zinc/10/72/85/309107285.db2.gz PVUVUSWNGRADAZ-RTWAWAEBSA-N 2 2 340.467 3.329 20 0 EGADLP C[C@]1(C[NH2+]Cc2c(F)ccc(Br)c2F)CCC[NH2+]C1 ZINC000414902751 309108396 /nfs/dbraw/zinc/10/83/96/309108396.db2.gz HNVCSDHABATPQH-AWEZNQCLSA-N 2 2 333.220 3.207 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1OCc1ccccc1 ZINC000414924691 309109578 /nfs/dbraw/zinc/10/95/78/309109578.db2.gz IZOKAGGLBRNPOO-QFBILLFUSA-N 2 2 340.467 3.362 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CCC[NH2+]1 ZINC000414938903 309110162 /nfs/dbraw/zinc/11/01/62/309110162.db2.gz FQLJPCWDVNHIAR-FQEVSTJZSA-N 2 2 341.455 3.041 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414949417 309110932 /nfs/dbraw/zinc/11/09/32/309110932.db2.gz DXFQATYSLHZJCE-VQIMIIECSA-N 2 2 348.441 3.286 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000414953821 309111153 /nfs/dbraw/zinc/11/11/53/309111153.db2.gz RZUIHBFNYWNRNZ-CRAIPNDOSA-N 2 2 348.441 3.152 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414957316 309111479 /nfs/dbraw/zinc/11/14/79/309111479.db2.gz OILNYVHLCSIHMX-NWDGAFQWSA-N 2 2 331.382 3.010 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000414975788 309112483 /nfs/dbraw/zinc/11/24/83/309112483.db2.gz HAFKIXIQNWWVLV-QGZVFWFLSA-N 2 2 344.455 3.110 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414988420 309112982 /nfs/dbraw/zinc/11/29/82/309112982.db2.gz ZXEZWWRYXMJILV-GFCCVEGCSA-N 2 2 340.290 3.400 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000415063920 309117674 /nfs/dbraw/zinc/11/76/74/309117674.db2.gz JCZPPNHEDZAFCA-QGZVFWFLSA-N 2 2 344.455 3.064 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000415071243 309118367 /nfs/dbraw/zinc/11/83/67/309118367.db2.gz WFMMJMDVYVMGAE-GOSISDBHSA-N 2 2 344.528 3.272 20 0 EGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415077893 309118649 /nfs/dbraw/zinc/11/86/49/309118649.db2.gz FWELFMKHQMCZEH-ICSRJNTNSA-N 2 2 328.431 3.460 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000415132341 309122691 /nfs/dbraw/zinc/12/26/91/309122691.db2.gz KYLLLOGWEOFDCO-QWFCFKBJSA-N 3 2 329.532 3.394 20 0 EGADLP Cc1cc(C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(C)n1CC(F)(F)F ZINC000420286906 309279513 /nfs/dbraw/zinc/27/95/13/309279513.db2.gz GYKVIKMMEXQLFR-HNNXBMFYSA-N 2 2 347.425 3.155 20 0 EGADLP Cc1cc(C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(C)n1CC(F)(F)F ZINC000420286906 309279514 /nfs/dbraw/zinc/27/95/14/309279514.db2.gz GYKVIKMMEXQLFR-HNNXBMFYSA-N 2 2 347.425 3.155 20 0 EGADLP CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000420305529 309280609 /nfs/dbraw/zinc/28/06/09/309280609.db2.gz GOYUBDSGZAEBPD-HNNXBMFYSA-N 2 2 332.423 3.148 20 0 EGADLP CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000420305529 309280610 /nfs/dbraw/zinc/28/06/10/309280610.db2.gz GOYUBDSGZAEBPD-HNNXBMFYSA-N 2 2 332.423 3.148 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327859 309282540 /nfs/dbraw/zinc/28/25/40/309282540.db2.gz ZGZZVDCFKCVPDY-SPYBWZPUSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327859 309282541 /nfs/dbraw/zinc/28/25/41/309282541.db2.gz ZGZZVDCFKCVPDY-SPYBWZPUSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420366816 309284585 /nfs/dbraw/zinc/28/45/85/309284585.db2.gz MMCVBCTVNIZTJY-OZTPJHRESA-N 2 2 343.393 3.009 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000420369234 309284692 /nfs/dbraw/zinc/28/46/92/309284692.db2.gz UTZPBTMHTCOETQ-MJGOQNOKSA-N 2 2 349.494 3.136 20 0 EGADLP COc1ccccc1CCC[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420391654 309285990 /nfs/dbraw/zinc/28/59/90/309285990.db2.gz SQRNCZGPUTYKGD-PKOBYXMFSA-N 2 2 328.431 3.194 20 0 EGADLP COc1ccccc1CCC[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420391654 309285991 /nfs/dbraw/zinc/28/59/91/309285991.db2.gz SQRNCZGPUTYKGD-PKOBYXMFSA-N 2 2 328.431 3.194 20 0 EGADLP [NH3+]Cc1nc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)no1 ZINC000420395525 309286238 /nfs/dbraw/zinc/28/62/38/309286238.db2.gz DMJBRDKLRRCGBO-WIYYLYMNSA-N 2 2 348.450 3.479 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397132 309286378 /nfs/dbraw/zinc/28/63/78/309286378.db2.gz MOHREDNNIDIHLY-PBHICJAKSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397132 309286379 /nfs/dbraw/zinc/28/63/79/309286379.db2.gz MOHREDNNIDIHLY-PBHICJAKSA-N 2 2 335.879 3.051 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408889 309286871 /nfs/dbraw/zinc/28/68/71/309286871.db2.gz WKFQEUBIQMCQKI-KDOFPFPSSA-N 2 2 346.425 3.115 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408889 309286872 /nfs/dbraw/zinc/28/68/72/309286872.db2.gz WKFQEUBIQMCQKI-KDOFPFPSSA-N 2 2 346.425 3.115 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000420407029 309286970 /nfs/dbraw/zinc/28/69/70/309286970.db2.gz VCVCPIMQQRHVFH-WMLDXEAASA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000420407029 309286971 /nfs/dbraw/zinc/28/69/71/309286971.db2.gz VCVCPIMQQRHVFH-WMLDXEAASA-N 2 2 329.419 3.445 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416894 309287040 /nfs/dbraw/zinc/28/70/40/309287040.db2.gz WAGVTKBTEIHGAF-NFAWXSAZSA-N 2 2 348.878 3.292 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416894 309287041 /nfs/dbraw/zinc/28/70/41/309287041.db2.gz WAGVTKBTEIHGAF-NFAWXSAZSA-N 2 2 348.878 3.292 20 0 EGADLP C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420419291 309287183 /nfs/dbraw/zinc/28/71/83/309287183.db2.gz XMGYQTYXTNVRDD-POAQFYNOSA-N 2 2 337.467 3.283 20 0 EGADLP C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420419291 309287184 /nfs/dbraw/zinc/28/71/84/309287184.db2.gz XMGYQTYXTNVRDD-POAQFYNOSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccccc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900067 309299992 /nfs/dbraw/zinc/29/99/92/309299992.db2.gz IEDQLIGPMKAMHF-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP COc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900067 309299993 /nfs/dbraw/zinc/29/99/93/309299993.db2.gz IEDQLIGPMKAMHF-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP CC(C)([C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000420953968 309303769 /nfs/dbraw/zinc/30/37/69/309303769.db2.gz VLKLLTGBXMCXDS-JOQOYGCGSA-N 2 2 338.442 3.241 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@H+](Cc2ccccc2)C1 ZINC000421343091 309319272 /nfs/dbraw/zinc/31/92/72/309319272.db2.gz PLWMHEJMKSVFEC-FCHUYYIVSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@@H+](Cc2ccccc2)C1 ZINC000421343091 309319273 /nfs/dbraw/zinc/31/92/73/309319273.db2.gz PLWMHEJMKSVFEC-FCHUYYIVSA-N 2 2 336.479 3.289 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccncc1Cl ZINC000421814532 309341211 /nfs/dbraw/zinc/34/12/11/309341211.db2.gz JXVNZMHSISKRBX-OAHLLOKOSA-N 2 2 345.874 3.418 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1Cl ZINC000421842343 309342850 /nfs/dbraw/zinc/34/28/50/309342850.db2.gz KSSFBHWSYIAOCN-VHSSKADRSA-N 2 2 337.895 3.154 20 0 EGADLP CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018869 309351337 /nfs/dbraw/zinc/35/13/37/309351337.db2.gz LDARJDZOIPIFGG-QUCCMNQESA-N 2 2 349.563 3.221 20 0 EGADLP CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018869 309351338 /nfs/dbraw/zinc/35/13/38/309351338.db2.gz LDARJDZOIPIFGG-QUCCMNQESA-N 2 2 349.563 3.221 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422692559 309363419 /nfs/dbraw/zinc/36/34/19/309363419.db2.gz KIXVOVKENQCLQE-HUUCEWRRSA-N 2 2 336.476 3.113 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@@H]1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000422722606 309365145 /nfs/dbraw/zinc/36/51/45/309365145.db2.gz PMBZIKDGLJLZDB-MOPGFXCFSA-N 2 2 337.458 3.179 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422788253 309368242 /nfs/dbraw/zinc/36/82/42/309368242.db2.gz QWDXJINGQZZVNW-DNVCBOLYSA-N 3 2 335.923 3.282 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)oc21 ZINC000422790368 309368375 /nfs/dbraw/zinc/36/83/75/309368375.db2.gz TYCIRVRSFCTGDM-IJEWVQPXSA-N 2 2 332.444 3.249 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422805085 309369497 /nfs/dbraw/zinc/36/94/97/309369497.db2.gz GEYIVGHEKSTPQM-CJNGLKHVSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831467 309370923 /nfs/dbraw/zinc/37/09/23/309370923.db2.gz TUGGGPZGWLWHQZ-UZLBHIALSA-N 2 2 334.467 3.172 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422916045 309376013 /nfs/dbraw/zinc/37/60/13/309376013.db2.gz ZQKRFQAUOMQCAP-GDBMZVCRSA-N 2 2 337.533 3.090 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cnc3ccccc32)c1)[C@H]1CCC[NH2+]1 ZINC000422947770 309377500 /nfs/dbraw/zinc/37/75/00/309377500.db2.gz YVMXENWCIWIUJJ-VQIMIIECSA-N 2 2 334.467 3.315 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422964480 309378398 /nfs/dbraw/zinc/37/83/98/309378398.db2.gz LVPANPYMPIULHY-UZLBHIALSA-N 2 2 339.483 3.451 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422970842 309378887 /nfs/dbraw/zinc/37/88/87/309378887.db2.gz HCPJZPKKEQJRHQ-OXJNMPFZSA-N 2 2 339.483 3.451 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423017705 309381158 /nfs/dbraw/zinc/38/11/58/309381158.db2.gz PKLGTCOOBSILDW-KNPMLCFXSA-N 2 2 341.293 3.255 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423029745 309381871 /nfs/dbraw/zinc/38/18/71/309381871.db2.gz VIHWSHBRTCVPHW-DTDBQYNISA-N 3 2 339.886 3.189 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423029745 309381872 /nfs/dbraw/zinc/38/18/72/309381872.db2.gz VIHWSHBRTCVPHW-DTDBQYNISA-N 3 2 339.886 3.189 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423049567 309383050 /nfs/dbraw/zinc/38/30/50/309383050.db2.gz KFJAGFXTIDDOMB-SJLPKXTDSA-N 2 2 342.483 3.484 20 0 EGADLP FC(F)COc1cnccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423103329 309386057 /nfs/dbraw/zinc/38/60/57/309386057.db2.gz PAWVAVNERDPRCF-DLBZAZTESA-N 2 2 347.409 3.308 20 0 EGADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423104662 309386105 /nfs/dbraw/zinc/38/61/05/309386105.db2.gz MKCITBHHMMIURL-MJXNMMHHSA-N 2 2 344.480 3.276 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423110945 309386589 /nfs/dbraw/zinc/38/65/89/309386589.db2.gz POOBLOQVDVRWSF-MDZLAQPJSA-N 2 2 345.256 3.006 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423119604 309386789 /nfs/dbraw/zinc/38/67/89/309386789.db2.gz FCXDOAKWVPBJJD-NUJGCVRESA-N 2 2 341.455 3.292 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)nnn1-c1ccc(C)cc1 ZINC000423187496 309389647 /nfs/dbraw/zinc/38/96/47/309389647.db2.gz XXBJHNHNHKCWAC-HNNXBMFYSA-N 2 2 327.476 3.196 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188645 309389715 /nfs/dbraw/zinc/38/97/15/309389715.db2.gz LYAGSXOMFZMMHI-BURNTYAHSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188645 309389716 /nfs/dbraw/zinc/38/97/16/309389716.db2.gz LYAGSXOMFZMMHI-BURNTYAHSA-N 3 2 327.516 3.019 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423211845 309390691 /nfs/dbraw/zinc/39/06/91/309390691.db2.gz HKPIPHJQKPPLBB-YDHLFZDLSA-N 2 2 347.894 3.268 20 0 EGADLP C[NH2+]CC[NH2+][C@@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000423228050 309391424 /nfs/dbraw/zinc/39/14/24/309391424.db2.gz YAFDSDKEQNGNDZ-JTQLQIEISA-N 2 2 327.259 3.358 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233414 309391592 /nfs/dbraw/zinc/39/15/92/309391592.db2.gz JUVMFDRETBIBOQ-BXUZGUMPSA-N 2 2 325.250 3.004 20 0 EGADLP C[C@H](C[NH3+])C[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423310252 309394751 /nfs/dbraw/zinc/39/47/51/309394751.db2.gz ROTHPEUYPHWQAT-BMIGLBTASA-N 2 2 341.224 3.455 20 0 EGADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423334839 309395677 /nfs/dbraw/zinc/39/56/77/309395677.db2.gz SSFKDTHCWHPGMM-HTQZYQBOSA-N 2 2 325.172 3.466 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000423370904 309397663 /nfs/dbraw/zinc/39/76/63/309397663.db2.gz QBPYHGFKOOBNES-JOKNJTHLSA-N 2 2 332.394 3.467 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384178 309397992 /nfs/dbraw/zinc/39/79/92/309397992.db2.gz JYIHJWCYIVGVRC-IHPCNDPISA-N 3 2 329.532 3.265 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384178 309397993 /nfs/dbraw/zinc/39/79/93/309397993.db2.gz JYIHJWCYIVGVRC-IHPCNDPISA-N 3 2 329.532 3.265 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423396606 309398579 /nfs/dbraw/zinc/39/85/79/309398579.db2.gz UAPIWVPEOLABGT-UGSOOPFHSA-N 2 2 333.476 3.082 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CCC[NH2+]1 ZINC000423412616 309399035 /nfs/dbraw/zinc/39/90/35/309399035.db2.gz IDNXPDGKAURTHE-HOTGVXAUSA-N 2 2 329.271 3.339 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000423415641 309399297 /nfs/dbraw/zinc/39/92/97/309399297.db2.gz DZUHXGRSQRLGRU-IAQYHMDHSA-N 2 2 345.256 3.007 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@]3(COC)CCC[NH2+]3)oc21 ZINC000423414673 309399330 /nfs/dbraw/zinc/39/93/30/309399330.db2.gz NKJUZLLVDKTJHZ-IFXJQAMLSA-N 2 2 332.444 3.251 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423417355 309399405 /nfs/dbraw/zinc/39/94/05/309399405.db2.gz GXKMPXRRIQJBBV-DOTOQJQBSA-N 2 2 326.868 3.158 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000423422832 309399612 /nfs/dbraw/zinc/39/96/12/309399612.db2.gz ZEAUWMOWSLPUBN-ABAIWWIYSA-N 2 2 345.256 3.007 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423424985 309399836 /nfs/dbraw/zinc/39/98/36/309399836.db2.gz MBXWIFKNOIVCMY-RBUKOAKNSA-N 2 2 338.451 3.168 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)CCC[NH2+]1 ZINC000423430686 309400055 /nfs/dbraw/zinc/40/00/55/309400055.db2.gz PXLHXVQHZBZCGZ-QUCCMNQESA-N 2 2 332.488 3.382 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496806 309402973 /nfs/dbraw/zinc/40/29/73/309402973.db2.gz XRWYDDCDXDQOGF-NVXWUHKLSA-N 2 2 340.895 3.404 20 0 EGADLP Fc1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2cccc(Cl)c2)c1 ZINC000423556225 309406259 /nfs/dbraw/zinc/40/62/59/309406259.db2.gz HYPWQGDWNARJGT-MSOLQXFVSA-N 2 2 334.822 3.147 20 0 EGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000423568882 309406592 /nfs/dbraw/zinc/40/65/92/309406592.db2.gz MMFVALLEHQUADI-CVEARBPZSA-N 2 2 341.293 3.114 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423811388 309414001 /nfs/dbraw/zinc/41/40/01/309414001.db2.gz BOSGPXBSJUPFOZ-MAUKXSAKSA-N 2 2 343.496 3.043 20 0 EGADLP CC(C)[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H](C)[NH3+] ZINC000423837092 309415727 /nfs/dbraw/zinc/41/57/27/309415727.db2.gz GPDPLIOWUWXBIL-KUHUBIRLSA-N 2 2 338.455 3.160 20 0 EGADLP [NH3+]CC1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1 ZINC000423854240 309416818 /nfs/dbraw/zinc/41/68/18/309416818.db2.gz VJWSFSMIOQPQCI-UHFFFAOYSA-N 2 2 336.439 3.059 20 0 EGADLP C[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H]1C[NH3+] ZINC000429186436 309573319 /nfs/dbraw/zinc/57/33/19/309573319.db2.gz XIGOWYRCXDSPQU-KSSFIOAISA-N 2 2 325.412 3.073 20 0 EGADLP CCOc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C3CC3)cs2)cc1 ZINC000430551949 309610462 /nfs/dbraw/zinc/61/04/62/309610462.db2.gz RBZJEHOQYBJESE-SFHVURJKSA-N 2 2 331.485 3.426 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430549159 309610540 /nfs/dbraw/zinc/61/05/40/309610540.db2.gz MXANBZWWVVYNAP-FQEVSTJZSA-N 2 2 343.515 3.060 20 0 EGADLP c1cc(-c2ccc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)o2)n[nH]1 ZINC000433313863 309685808 /nfs/dbraw/zinc/68/58/08/309685808.db2.gz XCAMIKWSESWPKV-UHFFFAOYSA-N 2 2 347.422 3.247 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccccc1OC ZINC000435537705 309734591 /nfs/dbraw/zinc/73/45/91/309734591.db2.gz XYKRLXNSHFFEMS-URLQWDBASA-N 2 2 329.444 3.390 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443201690 309896967 /nfs/dbraw/zinc/89/69/67/309896967.db2.gz IQKHWNJTLGYNJO-QKLQHJQFSA-N 2 2 333.520 3.223 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000444265157 309917079 /nfs/dbraw/zinc/91/70/79/309917079.db2.gz JHTSRDMODUKGNQ-FXAWDEMLSA-N 2 2 338.455 3.288 20 0 EGADLP Cc1nn(C)c(C[NH2+]CCC[NH+](C(C)C)C(C)C)c1Br ZINC000447926517 309993672 /nfs/dbraw/zinc/99/36/72/309993672.db2.gz MLHZRTOZLHHBLL-UHFFFAOYSA-N 2 2 345.329 3.090 20 0 EGADLP COc1cccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cccc12 ZINC000449032622 310031357 /nfs/dbraw/zinc/03/13/57/310031357.db2.gz XMEAERIWGGAYLV-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP COc1cccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cccc12 ZINC000449032622 310031358 /nfs/dbraw/zinc/03/13/58/310031358.db2.gz XMEAERIWGGAYLV-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449034938 310031591 /nfs/dbraw/zinc/03/15/91/310031591.db2.gz LLXYUTUNSQTEME-QGZVFWFLSA-N 2 2 329.513 3.312 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449034938 310031592 /nfs/dbraw/zinc/03/15/92/310031592.db2.gz LLXYUTUNSQTEME-QGZVFWFLSA-N 2 2 329.513 3.312 20 0 EGADLP c1cn(CCC[NH2+]Cc2cnc(CCc3ccccc3)s2)c[nH+]1 ZINC000449065936 310034195 /nfs/dbraw/zinc/03/41/95/310034195.db2.gz XPFWNLMERHSDST-UHFFFAOYSA-N 2 2 326.469 3.305 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C[C@@H](C)O1 ZINC000449070297 310034592 /nfs/dbraw/zinc/03/45/92/310034592.db2.gz JPFYNPFGOUPMBV-LALPHHSUSA-N 2 2 342.405 3.180 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(F)cc(Br)c1)Cn1cc[nH+]c1 ZINC000449102081 310037148 /nfs/dbraw/zinc/03/71/48/310037148.db2.gz ILBHDJGAXYZYOM-LLVKDONJSA-N 2 2 326.213 3.211 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137328 310039554 /nfs/dbraw/zinc/03/95/54/310039554.db2.gz FGKIQLODUOYBKW-RBUKOAKNSA-N 2 2 333.907 3.111 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137328 310039555 /nfs/dbraw/zinc/03/95/55/310039555.db2.gz FGKIQLODUOYBKW-RBUKOAKNSA-N 2 2 333.907 3.111 20 0 EGADLP C[C@H](C[NH2+]C1CC(c2ccc(Br)cc2F)C1)[NH+](C)C ZINC000449224293 310045764 /nfs/dbraw/zinc/04/57/64/310045764.db2.gz LFPMRACJZVNOSM-XSRFYTQQSA-N 2 2 329.257 3.374 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2cccc3ccoc32)[N@H+](Cc2ccccc2)C1 ZINC000449213571 310045059 /nfs/dbraw/zinc/04/50/59/310045059.db2.gz WVLLXMAGYXWHCE-VQTJNVASSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2cccc3ccoc32)[N@@H+](Cc2ccccc2)C1 ZINC000449213571 310045060 /nfs/dbraw/zinc/04/50/60/310045060.db2.gz WVLLXMAGYXWHCE-VQTJNVASSA-N 2 2 336.435 3.158 20 0 EGADLP Fc1cnccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449323499 310053459 /nfs/dbraw/zinc/05/34/59/310053459.db2.gz VRINUHHFQIJIBS-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cnccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449323499 310053460 /nfs/dbraw/zinc/05/34/60/310053460.db2.gz VRINUHHFQIJIBS-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cnccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000449323499 310053461 /nfs/dbraw/zinc/05/34/61/310053461.db2.gz VRINUHHFQIJIBS-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cnccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449323499 310053462 /nfs/dbraw/zinc/05/34/62/310053462.db2.gz VRINUHHFQIJIBS-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H](CO)c3ccccc3)sc2C1 ZINC000449452449 310063240 /nfs/dbraw/zinc/06/32/40/310063240.db2.gz KXHCCBUMLFCRME-KRWDZBQOSA-N 2 2 345.512 3.075 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H](CO)c3ccccc3)sc2C1 ZINC000449452449 310063241 /nfs/dbraw/zinc/06/32/41/310063241.db2.gz KXHCCBUMLFCRME-KRWDZBQOSA-N 2 2 345.512 3.075 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H](CO)c3ccccc3)sc2C1 ZINC000449452449 310063242 /nfs/dbraw/zinc/06/32/42/310063242.db2.gz KXHCCBUMLFCRME-KRWDZBQOSA-N 2 2 345.512 3.075 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H](CO)c3ccccc3)sc2C1 ZINC000449452449 310063243 /nfs/dbraw/zinc/06/32/43/310063243.db2.gz KXHCCBUMLFCRME-KRWDZBQOSA-N 2 2 345.512 3.075 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449481951 310065870 /nfs/dbraw/zinc/06/58/70/310065870.db2.gz WVRSVDFJLKYVDM-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449481951 310065871 /nfs/dbraw/zinc/06/58/71/310065871.db2.gz WVRSVDFJLKYVDM-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000449485296 310065912 /nfs/dbraw/zinc/06/59/12/310065912.db2.gz PPJOXXNECZAIEJ-OAQYLSRUSA-N 2 2 339.483 3.197 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000449588770 310074071 /nfs/dbraw/zinc/07/40/71/310074071.db2.gz QYXQRHRUEXJDKR-GFCCVEGCSA-N 2 2 341.402 3.399 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H](CO)CC(C)(C)C)sc2C1 ZINC000449593457 310074508 /nfs/dbraw/zinc/07/45/08/310074508.db2.gz ZWVZFRDWVDGMMY-AWEZNQCLSA-N 2 2 339.549 3.139 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H](CO)CC(C)(C)C)sc2C1 ZINC000449593457 310074509 /nfs/dbraw/zinc/07/45/09/310074509.db2.gz ZWVZFRDWVDGMMY-AWEZNQCLSA-N 2 2 339.549 3.139 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H](CO)CC(C)(C)C)sc2C1 ZINC000449593457 310074510 /nfs/dbraw/zinc/07/45/10/310074510.db2.gz ZWVZFRDWVDGMMY-AWEZNQCLSA-N 2 2 339.549 3.139 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)sc2C1 ZINC000449593457 310074511 /nfs/dbraw/zinc/07/45/11/310074511.db2.gz ZWVZFRDWVDGMMY-AWEZNQCLSA-N 2 2 339.549 3.139 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450363274 310117963 /nfs/dbraw/zinc/11/79/63/310117963.db2.gz KAGVOLXOXYVROO-ZWKOTPCHSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450363274 310117964 /nfs/dbraw/zinc/11/79/64/310117964.db2.gz KAGVOLXOXYVROO-ZWKOTPCHSA-N 2 2 337.552 3.076 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCSC[C@@H]3C3CC3)CC2)cc1 ZINC000451658497 310191701 /nfs/dbraw/zinc/19/17/01/310191701.db2.gz XTXKLGHCCJOGHG-HXUWFJFHSA-N 2 2 345.556 3.026 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCSC[C@@H]3C3CC3)CC2)cc1 ZINC000451658497 310191702 /nfs/dbraw/zinc/19/17/02/310191702.db2.gz XTXKLGHCCJOGHG-HXUWFJFHSA-N 2 2 345.556 3.026 20 0 EGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776553 310196729 /nfs/dbraw/zinc/19/67/29/310196729.db2.gz AOPWWNYMRDHHOY-UXHICEINSA-N 2 2 348.531 3.006 20 0 EGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776553 310196730 /nfs/dbraw/zinc/19/67/30/310196730.db2.gz AOPWWNYMRDHHOY-UXHICEINSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776553 310196731 /nfs/dbraw/zinc/19/67/31/310196731.db2.gz AOPWWNYMRDHHOY-UXHICEINSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776553 310196732 /nfs/dbraw/zinc/19/67/32/310196732.db2.gz AOPWWNYMRDHHOY-UXHICEINSA-N 2 2 348.531 3.006 20 0 EGADLP C[N@H+](CCCCCn1cccn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107697 310212541 /nfs/dbraw/zinc/21/25/41/310212541.db2.gz BYIZPCQYORAIOS-UHFFFAOYSA-N 2 2 346.441 3.402 20 0 EGADLP C[N@@H+](CCCCCn1cccn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107697 310212542 /nfs/dbraw/zinc/21/25/42/310212542.db2.gz BYIZPCQYORAIOS-UHFFFAOYSA-N 2 2 346.441 3.402 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211378 310218812 /nfs/dbraw/zinc/21/88/12/310218812.db2.gz YYPATSMSAMCCOX-QGZVFWFLSA-N 2 2 346.862 3.016 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211378 310218813 /nfs/dbraw/zinc/21/88/13/310218813.db2.gz YYPATSMSAMCCOX-QGZVFWFLSA-N 2 2 346.862 3.016 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000452449831 310228243 /nfs/dbraw/zinc/22/82/43/310228243.db2.gz DSVACYVGCHYPJX-KRWDZBQOSA-N 2 2 334.508 3.232 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452609886 310234635 /nfs/dbraw/zinc/23/46/35/310234635.db2.gz ZVNDOEBJNXXJIZ-OKILXGFUSA-N 2 2 346.862 3.015 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452609886 310234636 /nfs/dbraw/zinc/23/46/36/310234636.db2.gz ZVNDOEBJNXXJIZ-OKILXGFUSA-N 2 2 346.862 3.015 20 0 EGADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000453079245 310256567 /nfs/dbraw/zinc/25/65/67/310256567.db2.gz ZDILGOJUEPWWCE-GHTZIAJQSA-N 2 2 338.499 3.470 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300827 310269996 /nfs/dbraw/zinc/26/99/96/310269996.db2.gz ZOXBDQWHEFGPLS-HKUYNNGSSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300827 310269997 /nfs/dbraw/zinc/26/99/97/310269997.db2.gz ZOXBDQWHEFGPLS-HKUYNNGSSA-N 2 2 336.907 3.098 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C3(C)CC3)CC2)cc1 ZINC000453327886 310271273 /nfs/dbraw/zinc/27/12/73/310271273.db2.gz PHDJDTJZMIRVHZ-OAHLLOKOSA-N 2 2 329.488 3.388 20 0 EGADLP C[NH+](C)CCN(Cc1ccsc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000459760240 310573656 /nfs/dbraw/zinc/57/36/56/310573656.db2.gz QGVRQSDLCDTFOV-UHFFFAOYSA-N 2 2 340.496 3.498 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+](C)C ZINC000480648200 310898275 /nfs/dbraw/zinc/89/82/75/310898275.db2.gz MXOOFODJUBXCHG-TYPHKJRUSA-N 2 2 347.547 3.014 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000488451532 311066380 /nfs/dbraw/zinc/06/63/80/311066380.db2.gz STKQVSBPTZZEFU-ICSRJNTNSA-N 2 2 347.572 3.318 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCCO2 ZINC000489605541 311114094 /nfs/dbraw/zinc/11/40/94/311114094.db2.gz PEAQXCCMFXFCBE-HKUYNNGSSA-N 2 2 332.488 3.070 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000493353036 311364023 /nfs/dbraw/zinc/36/40/23/311364023.db2.gz MXPUGEKBFZAITL-KHPPLWFESA-N 2 2 344.503 3.173 20 0 EGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000493967473 311448320 /nfs/dbraw/zinc/44/83/20/311448320.db2.gz GRCJLLHMMHVRFX-VQIMIIECSA-N 2 2 334.504 3.242 20 0 EGADLP C[C@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCCOC1 ZINC000507472683 312073971 /nfs/dbraw/zinc/07/39/71/312073971.db2.gz RRDQVCVVKWJHOQ-ROUUACIJSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCCOC1 ZINC000507472683 312073973 /nfs/dbraw/zinc/07/39/73/312073973.db2.gz RRDQVCVVKWJHOQ-ROUUACIJSA-N 2 2 338.536 3.205 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000509841212 312127447 /nfs/dbraw/zinc/12/74/47/312127447.db2.gz VRKMYKAKKBNALQ-UHFFFAOYSA-N 2 2 335.495 3.257 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000509841212 312127449 /nfs/dbraw/zinc/12/74/49/312127449.db2.gz VRKMYKAKKBNALQ-UHFFFAOYSA-N 2 2 335.495 3.257 20 0 EGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510723476 312146987 /nfs/dbraw/zinc/14/69/87/312146987.db2.gz RUWWHCBTYNMJDU-BZUAXINKSA-N 2 2 340.458 3.375 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000514733378 312242700 /nfs/dbraw/zinc/24/27/00/312242700.db2.gz JEKQTIAAOHIBTP-JXXFODFXSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000515074494 312264333 /nfs/dbraw/zinc/26/43/33/312264333.db2.gz PGIBKGLGVWOYTM-MSOLQXFVSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513189 312326730 /nfs/dbraw/zinc/32/67/30/312326730.db2.gz RDSKPNSXUQSBNP-GOSISDBHSA-N 3 2 346.544 3.405 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513189 312326732 /nfs/dbraw/zinc/32/67/32/312326732.db2.gz RDSKPNSXUQSBNP-GOSISDBHSA-N 3 2 346.544 3.405 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513189 312326735 /nfs/dbraw/zinc/32/67/35/312326735.db2.gz RDSKPNSXUQSBNP-GOSISDBHSA-N 3 2 346.544 3.405 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513189 312326737 /nfs/dbraw/zinc/32/67/37/312326737.db2.gz RDSKPNSXUQSBNP-GOSISDBHSA-N 3 2 346.544 3.405 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000517251083 312372160 /nfs/dbraw/zinc/37/21/60/312372160.db2.gz DWAJMTXGKGJQAP-UHFFFAOYSA-N 2 2 338.430 3.211 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)CCCC[NH+](C)C)ccc2n1C1CC1 ZINC000520993007 312527216 /nfs/dbraw/zinc/52/72/16/312527216.db2.gz BTWHBKFGUGSIMR-UHFFFAOYSA-N 2 2 328.460 3.028 20 0 EGADLP C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)n1cc[nH+]c1 ZINC000521255865 312539080 /nfs/dbraw/zinc/53/90/80/312539080.db2.gz JECDDYRJSGZENY-CQSZACIVSA-N 2 2 347.488 3.305 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000528388766 313081128 /nfs/dbraw/zinc/08/11/28/313081128.db2.gz QSIXNRAUEXYBQS-PKOBYXMFSA-N 2 2 343.446 3.212 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000528388766 313081132 /nfs/dbraw/zinc/08/11/32/313081132.db2.gz QSIXNRAUEXYBQS-PKOBYXMFSA-N 2 2 343.446 3.212 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000528421571 313089793 /nfs/dbraw/zinc/08/97/93/313089793.db2.gz AJDDQSUDCSEPNQ-LZQZEXGQSA-N 2 2 331.435 3.163 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000528421571 313089797 /nfs/dbraw/zinc/08/97/97/313089797.db2.gz AJDDQSUDCSEPNQ-LZQZEXGQSA-N 2 2 331.435 3.163 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727261 313157543 /nfs/dbraw/zinc/15/75/43/313157543.db2.gz BAXCXBHIVRTXAO-UHFFFAOYSA-N 2 2 345.531 3.454 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570687 313358892 /nfs/dbraw/zinc/35/88/92/313358892.db2.gz WZLUAJJJOCFRCT-MFKMUULPSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570687 313358894 /nfs/dbraw/zinc/35/88/94/313358894.db2.gz WZLUAJJJOCFRCT-MFKMUULPSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570687 313358897 /nfs/dbraw/zinc/35/88/97/313358897.db2.gz WZLUAJJJOCFRCT-MFKMUULPSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570687 313358900 /nfs/dbraw/zinc/35/89/00/313358900.db2.gz WZLUAJJJOCFRCT-MFKMUULPSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570689 313358936 /nfs/dbraw/zinc/35/89/36/313358936.db2.gz WZLUAJJJOCFRCT-ZWNOBZJWSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570689 313358939 /nfs/dbraw/zinc/35/89/39/313358939.db2.gz WZLUAJJJOCFRCT-ZWNOBZJWSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570689 313358942 /nfs/dbraw/zinc/35/89/42/313358942.db2.gz WZLUAJJJOCFRCT-ZWNOBZJWSA-N 2 2 347.247 3.499 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570689 313358946 /nfs/dbraw/zinc/35/89/46/313358946.db2.gz WZLUAJJJOCFRCT-ZWNOBZJWSA-N 2 2 347.247 3.499 20 0 EGADLP Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000531095492 313626491 /nfs/dbraw/zinc/62/64/91/313626491.db2.gz AACAPAQNOBBELM-INIZCTEOSA-N 2 2 330.863 3.453 20 0 EGADLP COc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c(C)c1 ZINC000533112450 313874589 /nfs/dbraw/zinc/87/45/89/313874589.db2.gz VMHKMRCYRRBTPJ-UHFFFAOYSA-N 2 2 346.394 3.140 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000535313774 314039826 /nfs/dbraw/zinc/03/98/26/314039826.db2.gz KKHRIFFIJZGXCC-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000535313774 314039830 /nfs/dbraw/zinc/03/98/30/314039830.db2.gz KKHRIFFIJZGXCC-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535574490 314053195 /nfs/dbraw/zinc/05/31/95/314053195.db2.gz AAQGNNJKSPPNAE-UHFFFAOYSA-N 2 2 334.423 3.412 20 0 EGADLP c1csc(-c2noc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)n2)c1 ZINC000535576166 314053442 /nfs/dbraw/zinc/05/34/42/314053442.db2.gz UQNLNDYYGOPBEK-UHFFFAOYSA-N 2 2 341.440 3.270 20 0 EGADLP COc1cccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000536370306 314109674 /nfs/dbraw/zinc/10/96/74/314109674.db2.gz NMHDMUWOHVUMAE-UHFFFAOYSA-N 2 2 327.428 3.046 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000536593918 314128112 /nfs/dbraw/zinc/12/81/12/314128112.db2.gz ZXTAGSWIOQRKRE-LBPRGKRZSA-N 2 2 344.365 3.343 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000536593918 314128114 /nfs/dbraw/zinc/12/81/14/314128114.db2.gz ZXTAGSWIOQRKRE-LBPRGKRZSA-N 2 2 344.365 3.343 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O[C@@H](C)C2 ZINC000536659802 314136630 /nfs/dbraw/zinc/13/66/30/314136630.db2.gz ZJOIDDIBJFNCFK-LPHOPBHVSA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O[C@@H](C)C2 ZINC000536659802 314136633 /nfs/dbraw/zinc/13/66/33/314136633.db2.gz ZJOIDDIBJFNCFK-LPHOPBHVSA-N 2 2 344.499 3.469 20 0 EGADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2[nH]c(=O)oc2c1 ZINC000538059755 314225392 /nfs/dbraw/zinc/22/53/92/314225392.db2.gz FFVDKDZFRXPDTD-KRWDZBQOSA-N 2 2 328.416 3.497 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000539093492 314296153 /nfs/dbraw/zinc/29/61/53/314296153.db2.gz QKORMMKQXHSYSI-UTKZUKDTSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000539093492 314296154 /nfs/dbraw/zinc/29/61/54/314296154.db2.gz QKORMMKQXHSYSI-UTKZUKDTSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123653 314298365 /nfs/dbraw/zinc/29/83/65/314298365.db2.gz WQUKFBRXZGODBH-DOMZBBRYSA-N 2 2 328.378 3.200 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123653 314298366 /nfs/dbraw/zinc/29/83/66/314298366.db2.gz WQUKFBRXZGODBH-DOMZBBRYSA-N 2 2 328.378 3.200 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000539691245 314329260 /nfs/dbraw/zinc/32/92/60/314329260.db2.gz JTUAKXDRJNPVHC-OBJCFNGXSA-N 2 2 340.511 3.444 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000539691245 314329263 /nfs/dbraw/zinc/32/92/63/314329263.db2.gz JTUAKXDRJNPVHC-OBJCFNGXSA-N 2 2 340.511 3.444 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000548635169 315029069 /nfs/dbraw/zinc/02/90/69/315029069.db2.gz ZIPVHTTYQXIOAH-HIFRSBDPSA-N 2 2 346.862 3.167 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000549116773 315076663 /nfs/dbraw/zinc/07/66/63/315076663.db2.gz PKQRWYPRNWPHBK-LSDHHAIUSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000549116773 315076664 /nfs/dbraw/zinc/07/66/64/315076664.db2.gz PKQRWYPRNWPHBK-LSDHHAIUSA-N 2 2 337.423 3.229 20 0 EGADLP CC1CC[NH+](CCC[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000549694592 315100740 /nfs/dbraw/zinc/10/07/40/315100740.db2.gz UTSZJIHMHHWWQU-UHFFFAOYSA-N 2 2 327.472 3.477 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000550163134 315119204 /nfs/dbraw/zinc/11/92/04/315119204.db2.gz AICIECDDPGEQOS-HNNXBMFYSA-N 2 2 326.444 3.290 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000550163134 315119206 /nfs/dbraw/zinc/11/92/06/315119206.db2.gz AICIECDDPGEQOS-HNNXBMFYSA-N 2 2 326.444 3.290 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c(C)c1 ZINC000554831452 315351340 /nfs/dbraw/zinc/35/13/40/315351340.db2.gz OMUVEHZMHIITJK-LJQANCHMSA-N 2 2 337.467 3.421 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612253 315394523 /nfs/dbraw/zinc/39/45/23/315394523.db2.gz WFCKTFCDESQZRU-FPOVZHCZSA-N 3 2 329.532 3.363 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612253 315394528 /nfs/dbraw/zinc/39/45/28/315394528.db2.gz WFCKTFCDESQZRU-FPOVZHCZSA-N 3 2 329.532 3.363 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000558732619 315598411 /nfs/dbraw/zinc/59/84/11/315598411.db2.gz WPFKDXHLWBAITH-HNNXBMFYSA-N 2 2 329.469 3.174 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000563528330 316033453 /nfs/dbraw/zinc/03/34/53/316033453.db2.gz XVCVEQQOYQETCA-UXHICEINSA-N 3 2 332.451 3.208 20 0 EGADLP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000563656164 316052034 /nfs/dbraw/zinc/05/20/34/316052034.db2.gz LZRHTGSYAXTTLP-PXNSSMCTSA-N 2 2 340.467 3.333 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707401 316058991 /nfs/dbraw/zinc/05/89/91/316058991.db2.gz KEXZOAIXCGORGA-XLIONFOSSA-N 2 2 326.484 3.309 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCC(F)(F)C3)c2cc1C ZINC000564320005 316136011 /nfs/dbraw/zinc/13/60/11/316136011.db2.gz SOGALTWCWDRILV-HUUCEWRRSA-N 2 2 337.414 3.039 20 0 EGADLP Cc1cc(NC(=O)CCCC[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000564361583 316142913 /nfs/dbraw/zinc/14/29/13/316142913.db2.gz ZSVZODPUHIJQDD-INIZCTEOSA-N 2 2 332.492 3.439 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829313 316213433 /nfs/dbraw/zinc/21/34/33/316213433.db2.gz SCZHHKUSBGQOOF-BHIYHBOVSA-N 2 2 343.515 3.029 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000564829313 316213437 /nfs/dbraw/zinc/21/34/37/316213437.db2.gz SCZHHKUSBGQOOF-BHIYHBOVSA-N 2 2 343.515 3.029 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000565155884 316277191 /nfs/dbraw/zinc/27/71/91/316277191.db2.gz HVHRHDMRJLDLBH-OCCSQVGLSA-N 2 2 326.868 3.449 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC ZINC000565155884 316277195 /nfs/dbraw/zinc/27/71/95/316277195.db2.gz HVHRHDMRJLDLBH-OCCSQVGLSA-N 2 2 326.868 3.449 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000565159456 316277971 /nfs/dbraw/zinc/27/79/71/316277971.db2.gz YBKMBEFEONFRBE-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229917 316295655 /nfs/dbraw/zinc/29/56/55/316295655.db2.gz OSYPOKVGKBSZSG-FVIAUOKHSA-N 2 2 336.426 3.165 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229917 316295660 /nfs/dbraw/zinc/29/56/60/316295660.db2.gz OSYPOKVGKBSZSG-FVIAUOKHSA-N 2 2 336.426 3.165 20 0 EGADLP OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cccc3[nH+]ccn32)C1 ZINC000565685539 316355959 /nfs/dbraw/zinc/35/59/59/316355959.db2.gz XDNYVQRERWBLSE-JKSUJKDBSA-N 2 2 339.464 3.335 20 0 EGADLP OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cccc3[nH+]ccn32)C1 ZINC000565685539 316355962 /nfs/dbraw/zinc/35/59/62/316355962.db2.gz XDNYVQRERWBLSE-JKSUJKDBSA-N 2 2 339.464 3.335 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000566352124 316460646 /nfs/dbraw/zinc/46/06/46/316460646.db2.gz WWRWTJUYJZTIPS-GFCCVEGCSA-N 2 2 333.220 3.205 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCCC[C@H]3C)c2cc1C ZINC000567770173 316672664 /nfs/dbraw/zinc/67/26/64/316672664.db2.gz ACTVRDCZSFTEFR-ZTFGCOKTSA-N 2 2 329.488 3.430 20 0 EGADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2O1 ZINC000570463017 317059065 /nfs/dbraw/zinc/05/90/65/317059065.db2.gz OKHVJIRPJFVRQX-LJQANCHMSA-N 2 2 344.499 3.087 20 0 EGADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2O1 ZINC000570463017 317059067 /nfs/dbraw/zinc/05/90/67/317059067.db2.gz OKHVJIRPJFVRQX-LJQANCHMSA-N 2 2 344.499 3.087 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)n1C ZINC000570867025 317118875 /nfs/dbraw/zinc/11/88/75/317118875.db2.gz HWCSTBDGTVTKEH-CYBMUJFWSA-N 2 2 338.377 3.116 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572085718 317288049 /nfs/dbraw/zinc/28/80/49/317288049.db2.gz BFKRALDVTCHHET-BXWFABGCSA-N 2 2 332.488 3.162 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000573772270 317526041 /nfs/dbraw/zinc/52/60/41/317526041.db2.gz MHZFWGOPMFGULJ-UHFFFAOYSA-N 2 2 346.515 3.360 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000178682512 323359108 /nfs/dbraw/zinc/35/91/08/323359108.db2.gz PDJFCNJFUBVNMC-QGZVFWFLSA-N 2 2 345.531 3.060 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178682512 323359111 /nfs/dbraw/zinc/35/91/11/323359111.db2.gz PDJFCNJFUBVNMC-QGZVFWFLSA-N 2 2 345.531 3.060 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[NH+]1C ZINC000397985282 324294555 /nfs/dbraw/zinc/29/45/55/324294555.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[NH+]1C ZINC000397985282 324294559 /nfs/dbraw/zinc/29/45/59/324294559.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000397985282 324294562 /nfs/dbraw/zinc/29/45/62/324294562.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000397985282 324294568 /nfs/dbraw/zinc/29/45/68/324294568.db2.gz ODTYVCMIDANMRG-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@H](O)CC(F)(F)F)ccc2n1C1CC1 ZINC000578007187 324902239 /nfs/dbraw/zinc/90/22/39/324902239.db2.gz DCKGOHDCYPCTAD-CYBMUJFWSA-N 2 2 341.377 3.337 20 0 EGADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000579223517 325079754 /nfs/dbraw/zinc/07/97/54/325079754.db2.gz QYIIWNMDTLZLPU-MRXNPFEDSA-N 2 2 340.427 3.432 20 0 EGADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000579223517 325079757 /nfs/dbraw/zinc/07/97/57/325079757.db2.gz QYIIWNMDTLZLPU-MRXNPFEDSA-N 2 2 340.427 3.432 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cncc(Br)c1 ZINC000579615969 325136491 /nfs/dbraw/zinc/13/64/91/325136491.db2.gz YVVQZCBWOBSERY-LBPRGKRZSA-N 2 2 349.276 3.270 20 0 EGADLP CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1cc[nH+]c1 ZINC000580399617 325243240 /nfs/dbraw/zinc/24/32/40/325243240.db2.gz YKAZQXTUUPMSCX-AWEZNQCLSA-N 2 2 334.261 3.483 20 0 EGADLP CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCn1cc[nH+]c1 ZINC000580399617 325243242 /nfs/dbraw/zinc/24/32/42/325243242.db2.gz YKAZQXTUUPMSCX-AWEZNQCLSA-N 2 2 334.261 3.483 20 0 EGADLP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)s1 ZINC000581006911 325320286 /nfs/dbraw/zinc/32/02/86/325320286.db2.gz WFZXWMUFHOWOPC-LLVKDONJSA-N 2 2 339.896 3.228 20 0 EGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000581142218 325335056 /nfs/dbraw/zinc/33/50/56/325335056.db2.gz JNZJDZBTPYWTQG-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000581142218 325335060 /nfs/dbraw/zinc/33/50/60/325335060.db2.gz JNZJDZBTPYWTQG-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000581245190 325345360 /nfs/dbraw/zinc/34/53/60/325345360.db2.gz FWUDARDSCVAGHD-AUUYWEPGSA-N 2 2 337.467 3.484 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429861 325360960 /nfs/dbraw/zinc/36/09/60/325360960.db2.gz MNKDOQPFMGLRMH-IFXJQAMLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429861 325360962 /nfs/dbraw/zinc/36/09/62/325360962.db2.gz MNKDOQPFMGLRMH-IFXJQAMLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)COc1ccccc1)[NH+](C)C ZINC000582356027 325435295 /nfs/dbraw/zinc/43/52/95/325435295.db2.gz RDFXNGWTRQIJDE-UEXGIBASSA-N 2 2 342.483 3.016 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000582414360 325439338 /nfs/dbraw/zinc/43/93/38/325439338.db2.gz BXXIYXNQUBYUDT-CEXWTWQISA-N 2 2 336.414 3.383 20 0 EGADLP C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677903 455225665 /nfs/dbraw/zinc/22/56/65/455225665.db2.gz PWXPMWKHCHGPPE-QKFKETGDSA-N 2 2 327.453 3.265 20 0 EGADLP C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677903 455225667 /nfs/dbraw/zinc/22/56/67/455225667.db2.gz PWXPMWKHCHGPPE-QKFKETGDSA-N 2 2 327.453 3.265 20 0 EGADLP CSC[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430192599 458418334 /nfs/dbraw/zinc/41/83/34/458418334.db2.gz OZLFVHZEYMWAJF-CQSZACIVSA-N 2 2 339.574 3.485 20 0 EGADLP CSC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430192599 458418342 /nfs/dbraw/zinc/41/83/42/458418342.db2.gz OZLFVHZEYMWAJF-CQSZACIVSA-N 2 2 339.574 3.485 20 0 EGADLP CSC[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000430192599 458418346 /nfs/dbraw/zinc/41/83/46/458418346.db2.gz OZLFVHZEYMWAJF-CQSZACIVSA-N 2 2 339.574 3.485 20 0 EGADLP CSC[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000430192599 458418350 /nfs/dbraw/zinc/41/83/50/458418350.db2.gz OZLFVHZEYMWAJF-CQSZACIVSA-N 2 2 339.574 3.485 20 0 EGADLP [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237961418 455238879 /nfs/dbraw/zinc/23/88/79/455238879.db2.gz ZZPCBOXQOMVHQM-CQSZACIVSA-N 2 2 345.830 3.481 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000532124227 459033033 /nfs/dbraw/zinc/03/30/33/459033033.db2.gz NEASBFUOHHNJTQ-OAHLLOKOSA-N 2 2 341.952 3.394 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000532124227 459033038 /nfs/dbraw/zinc/03/30/38/459033038.db2.gz NEASBFUOHHNJTQ-OAHLLOKOSA-N 2 2 341.952 3.394 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274167 459060594 /nfs/dbraw/zinc/06/05/94/459060594.db2.gz UYJFZZDBHNXJCA-BDJLRTHQSA-N 2 2 341.268 3.203 20 0 EGADLP FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180800951 455248081 /nfs/dbraw/zinc/24/80/81/455248081.db2.gz PNZIFYQGFIUPKU-AWEZNQCLSA-N 2 2 349.360 3.387 20 0 EGADLP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180800951 455248083 /nfs/dbraw/zinc/24/80/83/455248083.db2.gz PNZIFYQGFIUPKU-AWEZNQCLSA-N 2 2 349.360 3.387 20 0 EGADLP CC(C)CN(C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000189885836 455250609 /nfs/dbraw/zinc/25/06/09/455250609.db2.gz HGKMCRLCPXIWIQ-QGZVFWFLSA-N 2 2 342.487 3.416 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1F ZINC000183256720 455262376 /nfs/dbraw/zinc/26/23/76/455262376.db2.gz MYBFHYPRTQHYDV-GOSISDBHSA-N 2 2 339.418 3.294 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000173432880 455282251 /nfs/dbraw/zinc/28/22/51/455282251.db2.gz MAZXXRPHDIHETI-UONOGXRCSA-N 2 2 341.293 3.068 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000181097378 455286897 /nfs/dbraw/zinc/28/68/97/455286897.db2.gz DAAVSGBZGGCBLY-HNNXBMFYSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000181097378 455286902 /nfs/dbraw/zinc/28/69/02/455286902.db2.gz DAAVSGBZGGCBLY-HNNXBMFYSA-N 2 2 325.416 3.325 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2csc(C(F)(F)F)c2)CCCO1 ZINC000623507456 460587343 /nfs/dbraw/zinc/58/73/43/460587343.db2.gz KNKMIDGSGXKMRO-LBPRGKRZSA-N 2 2 336.423 3.357 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2csc(C(F)(F)F)c2)CCCO1 ZINC000623507456 460587348 /nfs/dbraw/zinc/58/73/48/460587348.db2.gz KNKMIDGSGXKMRO-LBPRGKRZSA-N 2 2 336.423 3.357 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245685976 455355338 /nfs/dbraw/zinc/35/53/38/455355338.db2.gz AHHXVSYNJLDYIT-ICSRJNTNSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245685976 455355341 /nfs/dbraw/zinc/35/53/41/455355341.db2.gz AHHXVSYNJLDYIT-ICSRJNTNSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245685976 455355345 /nfs/dbraw/zinc/35/53/45/455355345.db2.gz AHHXVSYNJLDYIT-ICSRJNTNSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245685976 455355349 /nfs/dbraw/zinc/35/53/49/455355349.db2.gz AHHXVSYNJLDYIT-ICSRJNTNSA-N 2 2 340.515 3.131 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245717515 455363327 /nfs/dbraw/zinc/36/33/27/455363327.db2.gz UGTXIZRSHYNQMF-AOIWGVFYSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245717515 455363334 /nfs/dbraw/zinc/36/33/34/455363334.db2.gz UGTXIZRSHYNQMF-AOIWGVFYSA-N 2 2 340.471 3.410 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571459 453889575 /nfs/dbraw/zinc/88/95/75/453889575.db2.gz CCFPRAPJWIWQCO-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571459 453889578 /nfs/dbraw/zinc/88/95/78/453889578.db2.gz CCFPRAPJWIWQCO-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571459 453889581 /nfs/dbraw/zinc/88/95/81/453889581.db2.gz CCFPRAPJWIWQCO-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571459 453889583 /nfs/dbraw/zinc/88/95/83/453889583.db2.gz CCFPRAPJWIWQCO-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000075860301 453932824 /nfs/dbraw/zinc/93/28/24/453932824.db2.gz IVCHWMAJYLZVMM-BXWFABGCSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(F)cc1 ZINC000075860301 453932827 /nfs/dbraw/zinc/93/28/27/453932827.db2.gz IVCHWMAJYLZVMM-BXWFABGCSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC000075860301 453932830 /nfs/dbraw/zinc/93/28/30/453932830.db2.gz IVCHWMAJYLZVMM-BXWFABGCSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1 ZINC000075860301 453932832 /nfs/dbraw/zinc/93/28/32/453932832.db2.gz IVCHWMAJYLZVMM-BXWFABGCSA-N 2 2 349.494 3.198 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000037292587 453935053 /nfs/dbraw/zinc/93/50/53/453935053.db2.gz MRDIOZFFXAGFQQ-LSDHHAIUSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000037292587 453935056 /nfs/dbraw/zinc/93/50/56/453935056.db2.gz MRDIOZFFXAGFQQ-LSDHHAIUSA-N 2 2 339.277 3.174 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCCC2 ZINC000084672739 454004809 /nfs/dbraw/zinc/00/48/09/454004809.db2.gz RQJSLTWYRYJTGQ-QZTJIDSGSA-N 2 2 340.471 3.485 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000088693635 454116576 /nfs/dbraw/zinc/11/65/76/454116576.db2.gz GNACAYLTXLTQHG-JKSUJKDBSA-N 2 2 330.394 3.467 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]3C3CCC3)c2cc1C ZINC000246032835 455416028 /nfs/dbraw/zinc/41/60/28/455416028.db2.gz UBPYAJGIYYUPEU-MJGOQNOKSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]3C3CCC3)c2cc1C ZINC000246032835 455416032 /nfs/dbraw/zinc/41/60/32/455416032.db2.gz UBPYAJGIYYUPEU-MJGOQNOKSA-N 2 2 327.472 3.279 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803300 454146263 /nfs/dbraw/zinc/14/62/63/454146263.db2.gz MYWCXKPADBBTTH-GOSISDBHSA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803300 454146268 /nfs/dbraw/zinc/14/62/68/454146268.db2.gz MYWCXKPADBBTTH-GOSISDBHSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000070396489 454168823 /nfs/dbraw/zinc/16/88/23/454168823.db2.gz CHTWMYNJZAITJG-ZDUSSCGKSA-N 2 2 326.282 3.056 20 0 EGADLP Cc1cc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc[nH+]1 ZINC000119229797 454179850 /nfs/dbraw/zinc/17/98/50/454179850.db2.gz NSXMTDZYZFCGKB-UHFFFAOYSA-N 2 2 339.443 3.094 20 0 EGADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000095393923 454201730 /nfs/dbraw/zinc/20/17/30/454201730.db2.gz UGUAMTVGCPHCAI-SFHVURJKSA-N 2 2 338.455 3.373 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000095420524 454208447 /nfs/dbraw/zinc/20/84/47/454208447.db2.gz CGUNAQKJBSQIAU-KRWDZBQOSA-N 2 2 340.467 3.378 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc[nH+]1 ZINC000119735164 454216304 /nfs/dbraw/zinc/21/63/04/454216304.db2.gz LCZDFCBHUGUHES-KRWDZBQOSA-N 2 2 330.476 3.366 20 0 EGADLP CCO[C@@H](CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(C)C ZINC000119765338 454218722 /nfs/dbraw/zinc/21/87/22/454218722.db2.gz MARFUGWQELHUGA-INIZCTEOSA-N 2 2 340.431 3.074 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cnc2ccsc2c1 ZINC000119951051 454240096 /nfs/dbraw/zinc/24/00/96/454240096.db2.gz PWFNEUQQNDCTBX-KFWWJZLASA-N 2 2 333.501 3.446 20 0 EGADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078404329 454248733 /nfs/dbraw/zinc/24/87/33/454248733.db2.gz OYUOLDPTYMAAIB-CQSZACIVSA-N 2 2 331.847 3.047 20 0 EGADLP Cc1cnn(CCCCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003848 454260044 /nfs/dbraw/zinc/26/00/44/454260044.db2.gz GJKZKGFZIWVKMR-GOSISDBHSA-N 2 2 329.492 3.050 20 0 EGADLP Cc1cnn(CCCCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003848 454260050 /nfs/dbraw/zinc/26/00/50/454260050.db2.gz GJKZKGFZIWVKMR-GOSISDBHSA-N 2 2 329.492 3.050 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000090004072 454260524 /nfs/dbraw/zinc/26/05/24/454260524.db2.gz HQSGCPZDCBSFAN-HNNXBMFYSA-N 2 2 343.475 3.306 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000090004072 454260529 /nfs/dbraw/zinc/26/05/29/454260529.db2.gz HQSGCPZDCBSFAN-HNNXBMFYSA-N 2 2 343.475 3.306 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004146 454260842 /nfs/dbraw/zinc/26/08/42/454260842.db2.gz WPLLHGWSTPLXNG-QGZVFWFLSA-N 2 2 340.471 3.012 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004146 454260845 /nfs/dbraw/zinc/26/08/45/454260845.db2.gz WPLLHGWSTPLXNG-QGZVFWFLSA-N 2 2 340.471 3.012 20 0 EGADLP CSc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1F ZINC000090047394 454267198 /nfs/dbraw/zinc/26/71/98/454267198.db2.gz JGGLYMZFKNGAET-KBPBESRZSA-N 2 2 326.481 3.309 20 0 EGADLP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090224762 454294905 /nfs/dbraw/zinc/29/49/05/454294905.db2.gz KWXJCBOKTJYHKT-SCLBCKFNSA-N 2 2 336.443 3.266 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704710 454302705 /nfs/dbraw/zinc/30/27/05/454302705.db2.gz BAFDGRLJAVKOAG-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704710 454302711 /nfs/dbraw/zinc/30/27/11/454302711.db2.gz BAFDGRLJAVKOAG-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000078704710 454302716 /nfs/dbraw/zinc/30/27/16/454302716.db2.gz BAFDGRLJAVKOAG-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000078704710 454302722 /nfs/dbraw/zinc/30/27/22/454302722.db2.gz BAFDGRLJAVKOAG-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000090454247 454307699 /nfs/dbraw/zinc/30/76/99/454307699.db2.gz RVCJVBNOLYNHTE-GOSISDBHSA-N 2 2 344.890 3.175 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090457218 454308447 /nfs/dbraw/zinc/30/84/47/454308447.db2.gz CWHSHWWLNKMSNS-AZUAARDMSA-N 2 2 345.531 3.479 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090457218 454308449 /nfs/dbraw/zinc/30/84/49/454308449.db2.gz CWHSHWWLNKMSNS-AZUAARDMSA-N 2 2 345.531 3.479 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@H]1OC ZINC000090462127 454309791 /nfs/dbraw/zinc/30/97/91/454309791.db2.gz CDEYTIDAYOLOHD-RTBURBONSA-N 2 2 331.504 3.229 20 0 EGADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000060831210 454316302 /nfs/dbraw/zinc/31/63/02/454316302.db2.gz PQDIFGZTAZEEBW-UHFFFAOYSA-N 2 2 337.423 3.261 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000090586744 454324272 /nfs/dbraw/zinc/32/42/72/454324272.db2.gz WXOXMPJTBXPOQO-LJQANCHMSA-N 3 2 344.547 3.004 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000090586744 454324276 /nfs/dbraw/zinc/32/42/76/454324276.db2.gz WXOXMPJTBXPOQO-LJQANCHMSA-N 3 2 344.547 3.004 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000266704485 455438757 /nfs/dbraw/zinc/43/87/57/455438757.db2.gz DLBVMXTUVICCNX-ZDUSSCGKSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000120875161 454358958 /nfs/dbraw/zinc/35/89/58/454358958.db2.gz PARDJHLUIGEOAV-INIZCTEOSA-N 2 2 326.444 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000120875161 454358962 /nfs/dbraw/zinc/35/89/62/454358962.db2.gz PARDJHLUIGEOAV-INIZCTEOSA-N 2 2 326.444 3.422 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000121231969 454409198 /nfs/dbraw/zinc/40/91/98/454409198.db2.gz RVAUBDCGMZZEGE-OAQYLSRUSA-N 2 2 345.531 3.296 20 0 EGADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000097139237 454413453 /nfs/dbraw/zinc/41/34/53/454413453.db2.gz XPNMXZOBQKIOPP-QGZVFWFLSA-N 2 2 329.492 3.098 20 0 EGADLP CCCn1nc(C)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000097139237 454413459 /nfs/dbraw/zinc/41/34/59/454413459.db2.gz XPNMXZOBQKIOPP-QGZVFWFLSA-N 2 2 329.492 3.098 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000097139190 454413794 /nfs/dbraw/zinc/41/37/94/454413794.db2.gz GTETXRGPHYTGJX-MRXNPFEDSA-N 2 2 343.471 3.200 20 0 EGADLP COc1cc(C)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000097139190 454413798 /nfs/dbraw/zinc/41/37/98/454413798.db2.gz GTETXRGPHYTGJX-MRXNPFEDSA-N 2 2 343.471 3.200 20 0 EGADLP Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC000133738828 454461163 /nfs/dbraw/zinc/46/11/63/454461163.db2.gz VFSSJZGRAJOHES-FUHWJXTLSA-N 2 2 346.862 3.231 20 0 EGADLP Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC000133738828 454461169 /nfs/dbraw/zinc/46/11/69/454461169.db2.gz VFSSJZGRAJOHES-FUHWJXTLSA-N 2 2 346.862 3.231 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1nc2c(s1)CCCC2 ZINC000091726545 454461670 /nfs/dbraw/zinc/46/16/70/454461670.db2.gz LXTVAORBSKRIMM-LSDHHAIUSA-N 2 2 349.544 3.173 20 0 EGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143611 454462042 /nfs/dbraw/zinc/46/20/42/454462042.db2.gz VKLRHPLNLFKYNG-PGRDOPGGSA-N 2 2 338.495 3.017 20 0 EGADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143611 454462047 /nfs/dbraw/zinc/46/20/47/454462047.db2.gz VKLRHPLNLFKYNG-PGRDOPGGSA-N 2 2 338.495 3.017 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000121789127 454477821 /nfs/dbraw/zinc/47/78/21/454477821.db2.gz RVPUBZTVXJCCCB-UHFFFAOYSA-N 2 2 330.407 3.125 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000121970445 454500500 /nfs/dbraw/zinc/50/05/00/454500500.db2.gz NXNSHLNZYJKUBI-UHFFFAOYSA-N 2 2 340.471 3.418 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000104346200 454583080 /nfs/dbraw/zinc/58/30/80/454583080.db2.gz JBYUGRNUASTPRZ-INIZCTEOSA-N 2 2 332.835 3.339 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000104346200 454583083 /nfs/dbraw/zinc/58/30/83/454583083.db2.gz JBYUGRNUASTPRZ-INIZCTEOSA-N 2 2 332.835 3.339 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000092587845 454590355 /nfs/dbraw/zinc/59/03/55/454590355.db2.gz KFLQTALPEVMCFQ-YADARESESA-N 2 2 348.556 3.368 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000092587845 454590361 /nfs/dbraw/zinc/59/03/61/454590361.db2.gz KFLQTALPEVMCFQ-YADARESESA-N 2 2 348.556 3.368 20 0 EGADLP c1cc(-c2noc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000134861847 454598926 /nfs/dbraw/zinc/59/89/26/454598926.db2.gz UERTZCJBSVQCMS-CZUORRHYSA-N 2 2 344.484 3.247 20 0 EGADLP c1cc(-c2noc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000134861847 454598930 /nfs/dbraw/zinc/59/89/30/454598930.db2.gz UERTZCJBSVQCMS-CZUORRHYSA-N 2 2 344.484 3.247 20 0 EGADLP c1cc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cs1 ZINC000134861847 454598931 /nfs/dbraw/zinc/59/89/31/454598931.db2.gz UERTZCJBSVQCMS-CZUORRHYSA-N 2 2 344.484 3.247 20 0 EGADLP c1cc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cs1 ZINC000134861847 454598934 /nfs/dbraw/zinc/59/89/34/454598934.db2.gz UERTZCJBSVQCMS-CZUORRHYSA-N 2 2 344.484 3.247 20 0 EGADLP Oc1ccc(Br)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648854 454599777 /nfs/dbraw/zinc/59/97/77/454599777.db2.gz PQRAHVFZRUFSNV-UHFFFAOYSA-N 2 2 336.233 3.188 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000080961811 454658826 /nfs/dbraw/zinc/65/88/26/454658826.db2.gz NTEZWEQLCWKWHA-BBRMVZONSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000080961811 454658829 /nfs/dbraw/zinc/65/88/29/454658829.db2.gz NTEZWEQLCWKWHA-BBRMVZONSA-N 2 2 344.846 3.048 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000066155812 454661181 /nfs/dbraw/zinc/66/11/81/454661181.db2.gz OTLDEGHUEYOAHD-INIZCTEOSA-N 2 2 338.927 3.326 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000066155812 454661186 /nfs/dbraw/zinc/66/11/86/454661186.db2.gz OTLDEGHUEYOAHD-INIZCTEOSA-N 2 2 338.927 3.326 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000105896434 454666225 /nfs/dbraw/zinc/66/62/25/454666225.db2.gz CUPKPXMMBXXVPO-KRWDZBQOSA-N 2 2 340.471 3.338 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000105896434 454666230 /nfs/dbraw/zinc/66/62/30/454666230.db2.gz CUPKPXMMBXXVPO-KRWDZBQOSA-N 2 2 340.471 3.338 20 0 EGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000123803510 454677065 /nfs/dbraw/zinc/67/70/65/454677065.db2.gz PPUYJPYFVMLKRB-HUUCEWRRSA-N 2 2 348.516 3.429 20 0 EGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000123803510 454677067 /nfs/dbraw/zinc/67/70/67/454677067.db2.gz PPUYJPYFVMLKRB-HUUCEWRRSA-N 2 2 348.516 3.429 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000106116671 454679980 /nfs/dbraw/zinc/67/99/80/454679980.db2.gz FHSMSILXEAREBY-LJQANCHMSA-N 2 2 338.451 3.212 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000106116671 454679985 /nfs/dbraw/zinc/67/99/85/454679985.db2.gz FHSMSILXEAREBY-LJQANCHMSA-N 2 2 338.451 3.212 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000093394774 454710888 /nfs/dbraw/zinc/71/08/88/454710888.db2.gz JMRDGTWSSVGVHU-UHFFFAOYSA-N 2 2 346.515 3.287 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000093394774 454710889 /nfs/dbraw/zinc/71/08/89/454710889.db2.gz JMRDGTWSSVGVHU-UHFFFAOYSA-N 2 2 346.515 3.287 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000093394706 454711115 /nfs/dbraw/zinc/71/11/15/454711115.db2.gz MHDJSCUCTAFULI-UHFFFAOYSA-N 2 2 346.515 3.287 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000093394706 454711120 /nfs/dbraw/zinc/71/11/20/454711120.db2.gz MHDJSCUCTAFULI-UHFFFAOYSA-N 2 2 346.515 3.287 20 0 EGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3nccs3)cc2)CC1 ZINC000093398785 454711485 /nfs/dbraw/zinc/71/14/85/454711485.db2.gz KWTVGCJNWCXJGF-MRXNPFEDSA-N 2 2 344.528 3.131 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3nccs3)cc2)CC1 ZINC000093398785 454711489 /nfs/dbraw/zinc/71/14/89/454711489.db2.gz KWTVGCJNWCXJGF-MRXNPFEDSA-N 2 2 344.528 3.131 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869034 454726057 /nfs/dbraw/zinc/72/60/57/454726057.db2.gz GQQPJSBGTVHCAZ-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869034 454726058 /nfs/dbraw/zinc/72/60/58/454726058.db2.gz GQQPJSBGTVHCAZ-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663800 454727741 /nfs/dbraw/zinc/72/77/41/454727741.db2.gz OZYXWTVQSQJZNA-QGZVFWFLSA-N 2 2 326.440 3.101 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663800 454727746 /nfs/dbraw/zinc/72/77/46/454727746.db2.gz OZYXWTVQSQJZNA-QGZVFWFLSA-N 2 2 326.440 3.101 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124418286 454729875 /nfs/dbraw/zinc/72/98/75/454729875.db2.gz NWDCFBRJGPSQAN-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124418286 454729880 /nfs/dbraw/zinc/72/98/80/454729880.db2.gz NWDCFBRJGPSQAN-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000136323519 454735986 /nfs/dbraw/zinc/73/59/86/454735986.db2.gz BKDOSNVGOQGTDN-UEXGIBASSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000136323519 454735989 /nfs/dbraw/zinc/73/59/89/454735989.db2.gz BKDOSNVGOQGTDN-UEXGIBASSA-N 3 2 340.515 3.328 20 0 EGADLP CC[N@@H+](Cc1cnc2cnccn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818739 454737607 /nfs/dbraw/zinc/73/76/07/454737607.db2.gz FLMWMIYRJXSBNL-LJQANCHMSA-N 2 2 349.482 3.073 20 0 EGADLP CC[N@H+](Cc1cnc2cnccn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818739 454737610 /nfs/dbraw/zinc/73/76/10/454737610.db2.gz FLMWMIYRJXSBNL-LJQANCHMSA-N 2 2 349.482 3.073 20 0 EGADLP CC[NH+](Cc1cnc2cnccn12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818739 454737612 /nfs/dbraw/zinc/73/76/12/454737612.db2.gz FLMWMIYRJXSBNL-LJQANCHMSA-N 2 2 349.482 3.073 20 0 EGADLP CC[NH+](Cc1cnc2cnccn12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818739 454737615 /nfs/dbraw/zinc/73/76/15/454737615.db2.gz FLMWMIYRJXSBNL-LJQANCHMSA-N 2 2 349.482 3.073 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000124655692 454757433 /nfs/dbraw/zinc/75/74/33/454757433.db2.gz UCCGJMOFRKAPNB-INIZCTEOSA-N 2 2 341.421 3.312 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000124655692 454757434 /nfs/dbraw/zinc/75/74/34/454757434.db2.gz UCCGJMOFRKAPNB-INIZCTEOSA-N 2 2 341.421 3.312 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000162278673 454764011 /nfs/dbraw/zinc/76/40/11/454764011.db2.gz AEMRWUFPGZKYDX-INIZCTEOSA-N 2 2 327.476 3.174 20 0 EGADLP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000162579144 454785464 /nfs/dbraw/zinc/78/54/64/454785464.db2.gz KUQGTCFNZFQLNL-UHFFFAOYSA-N 2 2 334.508 3.175 20 0 EGADLP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000162579144 454785467 /nfs/dbraw/zinc/78/54/67/454785467.db2.gz KUQGTCFNZFQLNL-UHFFFAOYSA-N 2 2 334.508 3.175 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000137939630 454787634 /nfs/dbraw/zinc/78/76/34/454787634.db2.gz SGRXZQMWSSZYPW-IRXDYDNUSA-N 2 2 332.517 3.396 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125304858 454812353 /nfs/dbraw/zinc/81/23/53/454812353.db2.gz SGFBJFFNBCHBCF-UHFFFAOYSA-N 3 2 344.547 3.496 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125304858 454812359 /nfs/dbraw/zinc/81/23/59/454812359.db2.gz SGFBJFFNBCHBCF-UHFFFAOYSA-N 3 2 344.547 3.496 20 0 EGADLP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239693 454832741 /nfs/dbraw/zinc/83/27/41/454832741.db2.gz FAPXZPGYVLJTOU-OAGDOXAWSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239693 454832742 /nfs/dbraw/zinc/83/27/42/454832742.db2.gz FAPXZPGYVLJTOU-OAGDOXAWSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239693 454832744 /nfs/dbraw/zinc/83/27/44/454832744.db2.gz FAPXZPGYVLJTOU-OAGDOXAWSA-N 3 2 329.532 3.358 20 0 EGADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000153858511 454840725 /nfs/dbraw/zinc/84/07/25/454840725.db2.gz WTEJWDCWHZBICS-LJQANCHMSA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000153858511 454840729 /nfs/dbraw/zinc/84/07/29/454840729.db2.gz WTEJWDCWHZBICS-LJQANCHMSA-N 2 2 339.439 3.286 20 0 EGADLP Fc1ccc(COc2cccc(C[NH2+]CCn3cc[nH+]c3)c2)cc1 ZINC000163397090 454844705 /nfs/dbraw/zinc/84/47/05/454844705.db2.gz NRGQUDRTOVQFHM-UHFFFAOYSA-N 2 2 325.387 3.391 20 0 EGADLP Cc1nc(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)sc1C ZINC000177357252 454855736 /nfs/dbraw/zinc/85/57/36/454855736.db2.gz XHUZPXCUYDWHHD-UHFFFAOYSA-N 2 2 327.457 3.366 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCOCC2)CCOCC1)c1ccccc1 ZINC000154025807 454857554 /nfs/dbraw/zinc/85/75/54/454857554.db2.gz LOFZYFVIYVTEBU-ROUUACIJSA-N 2 2 346.515 3.291 20 0 EGADLP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000163593922 454858028 /nfs/dbraw/zinc/85/80/28/454858028.db2.gz BZPYHGKWAYRFIK-FQEVSTJZSA-N 2 2 325.431 3.462 20 0 EGADLP COCc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)ccc1OC ZINC000163840016 454865842 /nfs/dbraw/zinc/86/58/42/454865842.db2.gz VBKOBTFTOZZNNJ-OAHLLOKOSA-N 2 2 329.444 3.389 20 0 EGADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000154287971 454881287 /nfs/dbraw/zinc/88/12/87/454881287.db2.gz BBENSMYEUCUIIW-FXAWDEMLSA-N 2 2 342.483 3.147 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000150761095 454888184 /nfs/dbraw/zinc/88/81/84/454888184.db2.gz YPRDUIMLHVUUDU-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000150761095 454888186 /nfs/dbraw/zinc/88/81/86/454888186.db2.gz YPRDUIMLHVUUDU-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc2)c1 ZINC000154390147 454891488 /nfs/dbraw/zinc/89/14/88/454891488.db2.gz BCSCHMYVIMAMLM-PXNSSMCTSA-N 2 2 342.483 3.147 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000112709489 454897587 /nfs/dbraw/zinc/89/75/87/454897587.db2.gz KRPMFIWJAVFFSC-UHFFFAOYSA-N 2 2 326.387 3.013 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H]1C[N@H+](C)CCO1 ZINC000126514460 454899770 /nfs/dbraw/zinc/89/97/70/454899770.db2.gz JGWFFOXIXPGOCC-BDJLRTHQSA-N 2 2 339.361 3.385 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000126514460 454899773 /nfs/dbraw/zinc/89/97/73/454899773.db2.gz JGWFFOXIXPGOCC-BDJLRTHQSA-N 2 2 339.361 3.385 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000165827768 454904763 /nfs/dbraw/zinc/90/47/63/454904763.db2.gz PQCNYQCNDBZQAX-HZPDHXFCSA-N 2 2 338.455 3.342 20 0 EGADLP CC[N@@H+]1CCC[C@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000113247083 454919518 /nfs/dbraw/zinc/91/95/18/454919518.db2.gz IEYIURZJBWMBFE-MRXNPFEDSA-N 2 2 325.460 3.299 20 0 EGADLP CC[N@H+]1CCC[C@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000113247083 454919523 /nfs/dbraw/zinc/91/95/23/454919523.db2.gz IEYIURZJBWMBFE-MRXNPFEDSA-N 2 2 325.460 3.299 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccsc1 ZINC000178002720 454926342 /nfs/dbraw/zinc/92/63/42/454926342.db2.gz YOJPIELEQRFRGK-MRXNPFEDSA-N 2 2 346.496 3.310 20 0 EGADLP c1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)noc1-c1ccccc1 ZINC000154806787 454931691 /nfs/dbraw/zinc/93/16/91/454931691.db2.gz RPZHYKQAXIVATI-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP COCCC[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000178535520 454960526 /nfs/dbraw/zinc/96/05/26/454960526.db2.gz ZEPCUDGXHHUXQR-ROUUACIJSA-N 2 2 334.504 3.291 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc(C)c1F ZINC000155368711 454993122 /nfs/dbraw/zinc/99/31/22/454993122.db2.gz VOYLDWVMDWSKTE-SJLPKXTDSA-N 2 2 349.494 3.036 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc(C)c1F ZINC000155368711 454993126 /nfs/dbraw/zinc/99/31/26/454993126.db2.gz VOYLDWVMDWSKTE-SJLPKXTDSA-N 2 2 349.494 3.036 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791882 455031622 /nfs/dbraw/zinc/03/16/22/455031622.db2.gz LMKDRFMNQVOCMU-VBKZILBWSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791882 455031627 /nfs/dbraw/zinc/03/16/27/455031627.db2.gz LMKDRFMNQVOCMU-VBKZILBWSA-N 2 2 346.421 3.035 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCSC1 ZINC000155837564 455051398 /nfs/dbraw/zinc/05/13/98/455051398.db2.gz ZCLQFOCUJVYWOV-HNNXBMFYSA-N 2 2 343.452 3.250 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCSC1 ZINC000155837564 455051401 /nfs/dbraw/zinc/05/14/01/455051401.db2.gz ZCLQFOCUJVYWOV-HNNXBMFYSA-N 2 2 343.452 3.250 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC([NH2+]C(C)C)CC3)c2cc1C ZINC000171691509 455086460 /nfs/dbraw/zinc/08/64/60/455086460.db2.gz MOSWCEHSLIRGLQ-UHFFFAOYSA-N 2 2 328.456 3.372 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088964 455129955 /nfs/dbraw/zinc/12/99/55/455129955.db2.gz GUCGFSFWRNZVML-WIYYLYMNSA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088964 455129957 /nfs/dbraw/zinc/12/99/57/455129957.db2.gz GUCGFSFWRNZVML-WIYYLYMNSA-N 2 2 342.458 3.286 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156985008 455160294 /nfs/dbraw/zinc/16/02/94/455160294.db2.gz OKMOYNDTPFTJPF-NQIIRXRSSA-N 2 2 339.483 3.098 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156985008 455160295 /nfs/dbraw/zinc/16/02/95/455160295.db2.gz OKMOYNDTPFTJPF-NQIIRXRSSA-N 2 2 339.483 3.098 20 0 EGADLP C[C@H](CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC[NH2+]CC1 ZINC000237395769 455180706 /nfs/dbraw/zinc/18/07/06/455180706.db2.gz ILIHHKUMZKLTAY-HZPDHXFCSA-N 2 2 340.471 3.075 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157402135 455191711 /nfs/dbraw/zinc/19/17/11/455191711.db2.gz BMPQDUYEZNMJGS-WMZOPIPTSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157402135 455191715 /nfs/dbraw/zinc/19/17/15/455191715.db2.gz BMPQDUYEZNMJGS-WMZOPIPTSA-N 2 2 347.478 3.411 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415696 455291178 /nfs/dbraw/zinc/29/11/78/455291178.db2.gz DMHXBIAJOSSFQV-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415696 455291182 /nfs/dbraw/zinc/29/11/82/455291182.db2.gz DMHXBIAJOSSFQV-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415696 455291185 /nfs/dbraw/zinc/29/11/85/455291185.db2.gz DMHXBIAJOSSFQV-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415696 455291190 /nfs/dbraw/zinc/29/11/90/455291190.db2.gz DMHXBIAJOSSFQV-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000157431017 455194206 /nfs/dbraw/zinc/19/42/06/455194206.db2.gz JFEYOCYYXHESTA-UHFFFAOYSA-N 2 2 331.504 3.339 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000157431017 455194213 /nfs/dbraw/zinc/19/42/13/455194213.db2.gz JFEYOCYYXHESTA-UHFFFAOYSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438935 455299339 /nfs/dbraw/zinc/29/93/39/455299339.db2.gz SKNBKSWDQFLWIM-RTBURBONSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438935 455299341 /nfs/dbraw/zinc/29/93/41/455299341.db2.gz SKNBKSWDQFLWIM-RTBURBONSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438935 455299342 /nfs/dbraw/zinc/29/93/42/455299342.db2.gz SKNBKSWDQFLWIM-RTBURBONSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438935 455299344 /nfs/dbraw/zinc/29/93/44/455299344.db2.gz SKNBKSWDQFLWIM-RTBURBONSA-N 2 2 345.531 3.144 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442153 455300221 /nfs/dbraw/zinc/30/02/21/455300221.db2.gz HVBINEDKFBSMQA-PZJWPPBQSA-N 2 2 343.515 3.060 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442153 455300225 /nfs/dbraw/zinc/30/02/25/455300225.db2.gz HVBINEDKFBSMQA-PZJWPPBQSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442153 455300227 /nfs/dbraw/zinc/30/02/27/455300227.db2.gz HVBINEDKFBSMQA-PZJWPPBQSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000245442153 455300232 /nfs/dbraw/zinc/30/02/32/455300232.db2.gz HVBINEDKFBSMQA-PZJWPPBQSA-N 2 2 343.515 3.060 20 0 EGADLP Cc1cc(NCc2ccc(OCC[NH+](C)C)cc2)nc(C2CC2)[nH+]1 ZINC000265328073 455306514 /nfs/dbraw/zinc/30/65/14/455306514.db2.gz FYBKYUSGJQSHEW-UHFFFAOYSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265463612 455329913 /nfs/dbraw/zinc/32/99/13/455329913.db2.gz GLUAVAJHQGOHRU-LBPRGKRZSA-N 2 2 332.835 3.270 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173904231 455339141 /nfs/dbraw/zinc/33/91/41/455339141.db2.gz RBCZNANKZJXZQZ-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173904231 455339144 /nfs/dbraw/zinc/33/91/44/455339144.db2.gz RBCZNANKZJXZQZ-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173904231 455339147 /nfs/dbraw/zinc/33/91/47/455339147.db2.gz RBCZNANKZJXZQZ-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173904231 455339150 /nfs/dbraw/zinc/33/91/50/455339150.db2.gz RBCZNANKZJXZQZ-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CC[C@H](CSC)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245630431 455344656 /nfs/dbraw/zinc/34/46/56/455344656.db2.gz ZUTUYJUSSSVJGB-HZPDHXFCSA-N 2 2 335.517 3.087 20 0 EGADLP CC[C@H](CSC)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245630431 455344661 /nfs/dbraw/zinc/34/46/61/455344661.db2.gz ZUTUYJUSSSVJGB-HZPDHXFCSA-N 2 2 335.517 3.087 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159016112 455346109 /nfs/dbraw/zinc/34/61/09/455346109.db2.gz BZNKQBWPKIAFNT-UXHICEINSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159016112 455346114 /nfs/dbraw/zinc/34/61/14/455346114.db2.gz BZNKQBWPKIAFNT-UXHICEINSA-N 2 2 338.499 3.390 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000174216306 455370738 /nfs/dbraw/zinc/37/07/38/455370738.db2.gz UGOWICBYTJPYLY-INIZCTEOSA-N 2 2 329.492 3.176 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000174216306 455370744 /nfs/dbraw/zinc/37/07/44/455370744.db2.gz UGOWICBYTJPYLY-INIZCTEOSA-N 2 2 329.492 3.176 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788654 455381844 /nfs/dbraw/zinc/38/18/44/455381844.db2.gz QAMRAENPJYEFQA-SFTDATJTSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788654 455381846 /nfs/dbraw/zinc/38/18/46/455381846.db2.gz QAMRAENPJYEFQA-SFTDATJTSA-N 2 2 349.478 3.141 20 0 EGADLP CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000184478628 455387340 /nfs/dbraw/zinc/38/73/40/455387340.db2.gz LJEXSUNEYWPLMD-GOSISDBHSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000184478628 455387345 /nfs/dbraw/zinc/38/73/45/455387345.db2.gz LJEXSUNEYWPLMD-GOSISDBHSA-N 2 2 341.455 3.426 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181959480 455404663 /nfs/dbraw/zinc/40/46/63/455404663.db2.gz AROMSCQOSSJRRN-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181959480 455404667 /nfs/dbraw/zinc/40/46/67/455404667.db2.gz AROMSCQOSSJRRN-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000245948271 455404789 /nfs/dbraw/zinc/40/47/89/455404789.db2.gz KWBFVLLPONNTRP-OXQOHEQNSA-N 2 2 344.478 3.359 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000245948271 455404796 /nfs/dbraw/zinc/40/47/96/455404796.db2.gz KWBFVLLPONNTRP-OXQOHEQNSA-N 2 2 344.478 3.359 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191077544 455438488 /nfs/dbraw/zinc/43/84/88/455438488.db2.gz HNSYXHLBUCIAJN-OAHLLOKOSA-N 2 2 342.405 3.168 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191077544 455438490 /nfs/dbraw/zinc/43/84/90/455438490.db2.gz HNSYXHLBUCIAJN-OAHLLOKOSA-N 2 2 342.405 3.168 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277682 455463097 /nfs/dbraw/zinc/46/30/97/455463097.db2.gz WNCHKXMKBRPBBK-IAGOWNOFSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277682 455463099 /nfs/dbraw/zinc/46/30/99/455463099.db2.gz WNCHKXMKBRPBBK-IAGOWNOFSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277682 455463101 /nfs/dbraw/zinc/46/31/01/455463101.db2.gz WNCHKXMKBRPBBK-IAGOWNOFSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000246277682 455463104 /nfs/dbraw/zinc/46/31/04/455463104.db2.gz WNCHKXMKBRPBBK-IAGOWNOFSA-N 2 2 331.504 3.240 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246401429 455484235 /nfs/dbraw/zinc/48/42/35/455484235.db2.gz LSRGQTYDQDBEIG-DYESRHJHSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246401429 455484241 /nfs/dbraw/zinc/48/42/41/455484241.db2.gz LSRGQTYDQDBEIG-DYESRHJHSA-N 2 2 339.483 3.399 20 0 EGADLP c1ccc(C[NH+]2CCOCC2)c(CNc2cc[nH+]c3ccncc23)c1 ZINC000267196044 455514822 /nfs/dbraw/zinc/51/48/22/455514822.db2.gz IFZVNIFASPDFCZ-UHFFFAOYSA-N 2 2 334.423 3.074 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247114870 455561862 /nfs/dbraw/zinc/56/18/62/455561862.db2.gz LYPNDHJJJIXAOF-APWZRJJASA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247114870 455561865 /nfs/dbraw/zinc/56/18/65/455561865.db2.gz LYPNDHJJJIXAOF-APWZRJJASA-N 2 2 329.444 3.244 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000247138894 455564744 /nfs/dbraw/zinc/56/47/44/455564744.db2.gz WBGGPKDBIBWELF-UKAVVXHISA-N 2 2 329.532 3.450 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000247138894 455564748 /nfs/dbraw/zinc/56/47/48/455564748.db2.gz WBGGPKDBIBWELF-UKAVVXHISA-N 2 2 329.532 3.450 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247166862 455568237 /nfs/dbraw/zinc/56/82/37/455568237.db2.gz TUAADZAAJCEWKU-RTBURBONSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247166862 455568238 /nfs/dbraw/zinc/56/82/38/455568238.db2.gz TUAADZAAJCEWKU-RTBURBONSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000247195847 455571254 /nfs/dbraw/zinc/57/12/54/455571254.db2.gz VZLXVSANRFIOFG-SVFBPWRDSA-N 3 2 344.547 3.004 20 0 EGADLP OC1(c2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000185525899 455573353 /nfs/dbraw/zinc/57/33/53/455573353.db2.gz QKYZDYJAALAABE-UHFFFAOYSA-N 2 2 333.435 3.356 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231400 455576300 /nfs/dbraw/zinc/57/63/00/455576300.db2.gz YHYVEJUPXMVAEM-RXVVDRJESA-N 3 2 329.532 3.013 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231400 455576304 /nfs/dbraw/zinc/57/63/04/455576304.db2.gz YHYVEJUPXMVAEM-RXVVDRJESA-N 3 2 329.532 3.013 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H](C)C1 ZINC000247245453 455578105 /nfs/dbraw/zinc/57/81/05/455578105.db2.gz XXPKVAYFRNFNHD-AZUAARDMSA-N 2 2 340.515 3.336 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H](C)C1 ZINC000247245453 455578109 /nfs/dbraw/zinc/57/81/09/455578109.db2.gz XXPKVAYFRNFNHD-AZUAARDMSA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247463014 455604560 /nfs/dbraw/zinc/60/45/60/455604560.db2.gz INYXECZYQPRECX-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247463014 455604563 /nfs/dbraw/zinc/60/45/63/455604563.db2.gz INYXECZYQPRECX-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247463014 455604564 /nfs/dbraw/zinc/60/45/64/455604564.db2.gz INYXECZYQPRECX-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247463014 455604565 /nfs/dbraw/zinc/60/45/65/455604565.db2.gz INYXECZYQPRECX-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC(F)F ZINC000277619992 455616054 /nfs/dbraw/zinc/61/60/54/455616054.db2.gz XCAHUKCISBNIJA-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC(F)F ZINC000277619992 455616059 /nfs/dbraw/zinc/61/60/59/455616059.db2.gz XCAHUKCISBNIJA-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)c3ccncc3)c2cc1C ZINC000271386938 455618219 /nfs/dbraw/zinc/61/82/19/455618219.db2.gz LCBXSGIBSCRUET-FUHWJXTLSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)c3ccncc3)c2cc1C ZINC000271386938 455618226 /nfs/dbraw/zinc/61/82/26/455618226.db2.gz LCBXSGIBSCRUET-FUHWJXTLSA-N 2 2 338.455 3.102 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185769385 455618717 /nfs/dbraw/zinc/61/87/17/455618717.db2.gz XGEWHFVVTSDSDG-GDBMZVCRSA-N 2 2 348.462 3.355 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769385 455618718 /nfs/dbraw/zinc/61/87/18/455618718.db2.gz XGEWHFVVTSDSDG-GDBMZVCRSA-N 2 2 348.462 3.355 20 0 EGADLP COC1CCC([N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000283990996 455620271 /nfs/dbraw/zinc/62/02/71/455620271.db2.gz GENUPOCZDWWTRH-CBNMVNINSA-N 2 2 346.515 3.167 20 0 EGADLP COC1CCC([N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000283990996 455620273 /nfs/dbraw/zinc/62/02/73/455620273.db2.gz GENUPOCZDWWTRH-CBNMVNINSA-N 2 2 346.515 3.167 20 0 EGADLP COC1CCC([NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283990996 455620277 /nfs/dbraw/zinc/62/02/77/455620277.db2.gz GENUPOCZDWWTRH-CBNMVNINSA-N 2 2 346.515 3.167 20 0 EGADLP COC1CCC([NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283990996 455620280 /nfs/dbraw/zinc/62/02/80/455620280.db2.gz GENUPOCZDWWTRH-CBNMVNINSA-N 2 2 346.515 3.167 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000192591477 455648521 /nfs/dbraw/zinc/64/85/21/455648521.db2.gz MZGFZIDHZUQWRN-AWEZNQCLSA-N 2 2 331.416 3.019 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247968195 455661821 /nfs/dbraw/zinc/66/18/21/455661821.db2.gz IOUDAQNYSZVOPJ-CTNGQTDRSA-N 3 2 344.547 3.004 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247968195 455661826 /nfs/dbraw/zinc/66/18/26/455661826.db2.gz IOUDAQNYSZVOPJ-CTNGQTDRSA-N 3 2 344.547 3.004 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000284452508 455688293 /nfs/dbraw/zinc/68/82/93/455688293.db2.gz SOVCLAMPAZSRGN-HOCLYGCPSA-N 2 2 339.911 3.024 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000284452508 455688296 /nfs/dbraw/zinc/68/82/96/455688296.db2.gz SOVCLAMPAZSRGN-HOCLYGCPSA-N 2 2 339.911 3.024 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197979 455696449 /nfs/dbraw/zinc/69/64/49/455696449.db2.gz XRYNOUUAAZGRJK-NVXWUHKLSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197979 455696453 /nfs/dbraw/zinc/69/64/53/455696453.db2.gz XRYNOUUAAZGRJK-NVXWUHKLSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197979 455696459 /nfs/dbraw/zinc/69/64/59/455696459.db2.gz XRYNOUUAAZGRJK-NVXWUHKLSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197979 455696466 /nfs/dbraw/zinc/69/64/66/455696466.db2.gz XRYNOUUAAZGRJK-NVXWUHKLSA-N 2 2 329.419 3.397 20 0 EGADLP CSC[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000292558129 455696809 /nfs/dbraw/zinc/69/68/09/455696809.db2.gz ZDJAGOKJTKNOLY-IBGZPJMESA-N 2 2 347.572 3.274 20 0 EGADLP CSC[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000292558129 455696811 /nfs/dbraw/zinc/69/68/11/455696811.db2.gz ZDJAGOKJTKNOLY-IBGZPJMESA-N 2 2 347.572 3.274 20 0 EGADLP O[C@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000271619798 455702196 /nfs/dbraw/zinc/70/21/96/455702196.db2.gz XDGYYWROUIUXEK-LJQANCHMSA-N 2 2 346.421 3.101 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000186234339 455722932 /nfs/dbraw/zinc/72/29/32/455722932.db2.gz CCKMTYSSGYOUKJ-RDJZCZTQSA-N 2 2 338.565 3.189 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000192963529 455728190 /nfs/dbraw/zinc/72/81/90/455728190.db2.gz YWRUGCVTGOTSCS-WOJBJXKFSA-N 2 2 332.488 3.093 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000192963529 455728192 /nfs/dbraw/zinc/72/81/92/455728192.db2.gz YWRUGCVTGOTSCS-WOJBJXKFSA-N 2 2 332.488 3.093 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000192963544 455728243 /nfs/dbraw/zinc/72/82/43/455728243.db2.gz YWRUGCVTGOTSCS-VQTJNVASSA-N 2 2 332.488 3.093 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000192963544 455728251 /nfs/dbraw/zinc/72/82/51/455728251.db2.gz YWRUGCVTGOTSCS-VQTJNVASSA-N 2 2 332.488 3.093 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000271713349 455731592 /nfs/dbraw/zinc/73/15/92/455731592.db2.gz BLVPSFGETVZROL-FQEVSTJZSA-N 2 2 344.499 3.015 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268942143 455738249 /nfs/dbraw/zinc/73/82/49/455738249.db2.gz AKPNEVADVTWUSQ-KFKAGJAMSA-N 2 2 328.456 3.264 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268942143 455738256 /nfs/dbraw/zinc/73/82/56/455738256.db2.gz AKPNEVADVTWUSQ-KFKAGJAMSA-N 2 2 328.456 3.264 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccs1 ZINC000268949053 455740653 /nfs/dbraw/zinc/74/06/53/455740653.db2.gz BSNLAVRMEBGDIH-RYQLBKOJSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccs1 ZINC000268949053 455740657 /nfs/dbraw/zinc/74/06/57/455740657.db2.gz BSNLAVRMEBGDIH-RYQLBKOJSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H](CC[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000249046995 455742315 /nfs/dbraw/zinc/74/23/15/455742315.db2.gz WIMWUEDURYSITL-BVYCBKJFSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](CC[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000249046995 455742321 /nfs/dbraw/zinc/74/23/21/455742321.db2.gz WIMWUEDURYSITL-BVYCBKJFSA-N 2 2 338.495 3.405 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000249692851 455767688 /nfs/dbraw/zinc/76/76/88/455767688.db2.gz XMLBBGWYDDBPCG-XLIONFOSSA-N 2 2 338.499 3.148 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000249692851 455767693 /nfs/dbraw/zinc/76/76/93/455767693.db2.gz XMLBBGWYDDBPCG-XLIONFOSSA-N 2 2 338.499 3.148 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@H]2CCCO[C@@H]21 ZINC000271822187 455775242 /nfs/dbraw/zinc/77/52/42/455775242.db2.gz CJVSQEGMRMDTTN-QRVBRYPASA-N 2 2 325.456 3.225 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278316463 455815678 /nfs/dbraw/zinc/81/56/78/455815678.db2.gz BSOCYHRJVPXDAT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278316463 455815682 /nfs/dbraw/zinc/81/56/82/455815682.db2.gz BSOCYHRJVPXDAT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000252696222 455828530 /nfs/dbraw/zinc/82/85/30/455828530.db2.gz XOLVEYXOTWUOQE-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000252696222 455828534 /nfs/dbraw/zinc/82/85/34/455828534.db2.gz XOLVEYXOTWUOQE-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000252696222 455828540 /nfs/dbraw/zinc/82/85/40/455828540.db2.gz XOLVEYXOTWUOQE-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000252696222 455828544 /nfs/dbraw/zinc/82/85/44/455828544.db2.gz XOLVEYXOTWUOQE-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285558938 455870083 /nfs/dbraw/zinc/87/00/83/455870083.db2.gz RLHTXICAVNCQEA-XYPWUTKMSA-N 2 2 336.863 3.184 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285558938 455870089 /nfs/dbraw/zinc/87/00/89/455870089.db2.gz RLHTXICAVNCQEA-XYPWUTKMSA-N 2 2 336.863 3.184 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285558938 455870092 /nfs/dbraw/zinc/87/00/92/455870092.db2.gz RLHTXICAVNCQEA-XYPWUTKMSA-N 2 2 336.863 3.184 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285558938 455870097 /nfs/dbraw/zinc/87/00/97/455870097.db2.gz RLHTXICAVNCQEA-XYPWUTKMSA-N 2 2 336.863 3.184 20 0 EGADLP C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187176601 455877038 /nfs/dbraw/zinc/87/70/38/455877038.db2.gz NHKHYUXNQYLWQO-OXQOHEQNSA-N 2 2 348.450 3.294 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000270135455 455885583 /nfs/dbraw/zinc/88/55/83/455885583.db2.gz HPMJDVCSJFLENM-GOSISDBHSA-N 2 2 348.450 3.108 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000270135455 455885589 /nfs/dbraw/zinc/88/55/89/455885589.db2.gz HPMJDVCSJFLENM-GOSISDBHSA-N 2 2 348.450 3.108 20 0 EGADLP C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@H]2C1 ZINC000272260990 455895951 /nfs/dbraw/zinc/89/59/51/455895951.db2.gz AOWWKDAPQHQCPM-KXBFYZLASA-N 2 2 337.423 3.040 20 0 EGADLP C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@H]2C1 ZINC000272260990 455895954 /nfs/dbraw/zinc/89/59/54/455895954.db2.gz AOWWKDAPQHQCPM-KXBFYZLASA-N 2 2 337.423 3.040 20 0 EGADLP CCC(CC)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCC1 ZINC000194977323 455908465 /nfs/dbraw/zinc/90/84/65/455908465.db2.gz NMCIZVLOGBLATE-MOPGFXCFSA-N 2 2 341.503 3.384 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)C[C@H]12 ZINC000261568780 455909297 /nfs/dbraw/zinc/90/92/97/455909297.db2.gz JKMMEKAQXOKHAU-COPLHBTASA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)C[C@H]12 ZINC000261568780 455909303 /nfs/dbraw/zinc/90/93/03/455909303.db2.gz JKMMEKAQXOKHAU-COPLHBTASA-N 2 2 329.669 3.272 20 0 EGADLP CCO[C@H](C)c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261608245 455911879 /nfs/dbraw/zinc/91/18/79/455911879.db2.gz BOPNFBXJJDYWOU-KYJSFNMBSA-N 2 2 345.512 3.415 20 0 EGADLP CCO[C@H](C)c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261608245 455911886 /nfs/dbraw/zinc/91/18/86/455911886.db2.gz BOPNFBXJJDYWOU-KYJSFNMBSA-N 2 2 345.512 3.415 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000285764838 455912356 /nfs/dbraw/zinc/91/23/56/455912356.db2.gz SXRLAFRLBGWNFF-VXGBXAGGSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000285764838 455912360 /nfs/dbraw/zinc/91/23/60/455912360.db2.gz SXRLAFRLBGWNFF-VXGBXAGGSA-N 2 2 345.231 3.444 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811466 455921106 /nfs/dbraw/zinc/92/11/06/455921106.db2.gz VUURTIHRDBRNIK-FPOVZHCZSA-N 2 2 339.483 3.448 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811466 455921111 /nfs/dbraw/zinc/92/11/11/455921111.db2.gz VUURTIHRDBRNIK-FPOVZHCZSA-N 2 2 339.483 3.448 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261657039 455922267 /nfs/dbraw/zinc/92/22/67/455922267.db2.gz KDWQYGDRSXXLDD-KRWDZBQOSA-N 2 2 346.272 3.183 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261657039 455922272 /nfs/dbraw/zinc/92/22/72/455922272.db2.gz KDWQYGDRSXXLDD-KRWDZBQOSA-N 2 2 346.272 3.183 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000280244107 455926131 /nfs/dbraw/zinc/92/61/31/455926131.db2.gz NSOBOUNWMFEKLZ-UHFFFAOYSA-N 2 2 337.427 3.442 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000270313202 455926386 /nfs/dbraw/zinc/92/63/86/455926386.db2.gz JFAGJENDDNTMNZ-GOSISDBHSA-N 2 2 348.450 3.108 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000270313202 455926391 /nfs/dbraw/zinc/92/63/91/455926391.db2.gz JFAGJENDDNTMNZ-GOSISDBHSA-N 2 2 348.450 3.108 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261797403 455949470 /nfs/dbraw/zinc/94/94/70/455949470.db2.gz YJPOAMLCEPLXMQ-OCCSQVGLSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261797403 455949476 /nfs/dbraw/zinc/94/94/76/455949476.db2.gz YJPOAMLCEPLXMQ-OCCSQVGLSA-N 2 2 346.272 3.039 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280370362 455957384 /nfs/dbraw/zinc/95/73/84/455957384.db2.gz VIZKORTZINBBSD-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280370362 455957386 /nfs/dbraw/zinc/95/73/86/455957386.db2.gz VIZKORTZINBBSD-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP Cc1[nH+]cc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1-c1ccccc1 ZINC000261857378 455960547 /nfs/dbraw/zinc/96/05/47/455960547.db2.gz QUARVCYLXDDWAD-LEWJYISDSA-N 2 2 332.451 3.107 20 0 EGADLP Cn1cc(-c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)s2)cn1 ZINC000261938005 455974246 /nfs/dbraw/zinc/97/42/46/455974246.db2.gz MHWKPSOIEHPMKA-UHFFFAOYSA-N 2 2 330.501 3.113 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(OC)c1 ZINC000272576172 456001080 /nfs/dbraw/zinc/00/10/80/456001080.db2.gz PVUBICHGVTXPDX-UHFFFAOYSA-N 2 2 346.393 3.210 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000270689549 456015139 /nfs/dbraw/zinc/01/51/39/456015139.db2.gz XEHBLRRFYVZVOT-OAHLLOKOSA-N 2 2 332.879 3.224 20 0 EGADLP Cc1[nH+]ccn1CCN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000270689549 456015143 /nfs/dbraw/zinc/01/51/43/456015143.db2.gz XEHBLRRFYVZVOT-OAHLLOKOSA-N 2 2 332.879 3.224 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272676140 456036505 /nfs/dbraw/zinc/03/65/05/456036505.db2.gz UOZGYQGPHGVZGY-OXQOHEQNSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272676140 456036509 /nfs/dbraw/zinc/03/65/09/456036509.db2.gz UOZGYQGPHGVZGY-OXQOHEQNSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272676140 456036510 /nfs/dbraw/zinc/03/65/10/456036510.db2.gz UOZGYQGPHGVZGY-OXQOHEQNSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272676140 456036516 /nfs/dbraw/zinc/03/65/16/456036516.db2.gz UOZGYQGPHGVZGY-OXQOHEQNSA-N 2 2 342.462 3.154 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)cc1 ZINC000272700971 456044060 /nfs/dbraw/zinc/04/40/60/456044060.db2.gz WCUUQRGZSLVSAE-HXUWFJFHSA-N 2 2 343.471 3.353 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)cc1 ZINC000272700971 456044064 /nfs/dbraw/zinc/04/40/64/456044064.db2.gz WCUUQRGZSLVSAE-HXUWFJFHSA-N 2 2 343.471 3.353 20 0 EGADLP Clc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752195 456045125 /nfs/dbraw/zinc/04/51/25/456045125.db2.gz BRLDLVXBUBBARE-MSOLQXFVSA-N 2 2 349.906 3.211 20 0 EGADLP Clc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752195 456045129 /nfs/dbraw/zinc/04/51/29/456045129.db2.gz BRLDLVXBUBBARE-MSOLQXFVSA-N 2 2 349.906 3.211 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000286429026 456046236 /nfs/dbraw/zinc/04/62/36/456046236.db2.gz RPZXRVXGQCYJBJ-HIFRSBDPSA-N 2 2 331.847 3.188 20 0 EGADLP C[C@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2[nH+]ccn21 ZINC000296887176 456061244 /nfs/dbraw/zinc/06/12/44/456061244.db2.gz OJXIWMKJCVHLPN-HNAYVOBHSA-N 2 2 340.471 3.205 20 0 EGADLP c1coc([C@@H](CNc2cc(NCC3CC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000301305987 456087094 /nfs/dbraw/zinc/08/70/94/456087094.db2.gz YLJVOVZJMSFDHD-OAHLLOKOSA-N 2 2 327.432 3.141 20 0 EGADLP C[NH+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000297047725 456102053 /nfs/dbraw/zinc/10/20/53/456102053.db2.gz YGMBMSORKOVDRH-ROUUACIJSA-N 2 2 347.503 3.278 20 0 EGADLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1-n1cncn1 ZINC000271031285 456103347 /nfs/dbraw/zinc/10/33/47/456103347.db2.gz HKAZAZYBBDDFAQ-UHFFFAOYSA-N 2 2 339.487 3.026 20 0 EGADLP Cc1ccnc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000272957226 456124953 /nfs/dbraw/zinc/12/49/53/456124953.db2.gz NFAQLXIXFHCTLB-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000271110957 456129249 /nfs/dbraw/zinc/12/92/49/456129249.db2.gz DLODOKWVJWSMQZ-MRXNPFEDSA-N 2 2 329.444 3.334 20 0 EGADLP CCOCc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000271110957 456129256 /nfs/dbraw/zinc/12/92/56/456129256.db2.gz DLODOKWVJWSMQZ-MRXNPFEDSA-N 2 2 329.444 3.334 20 0 EGADLP CCn1ccnc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000297144845 456131762 /nfs/dbraw/zinc/13/17/62/456131762.db2.gz ZRISLGPYWFHVHH-OAHLLOKOSA-N 2 2 342.491 3.002 20 0 EGADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cscn2)CC1 ZINC000271118616 456131867 /nfs/dbraw/zinc/13/18/67/456131867.db2.gz IUHHTQJEGQCMJB-INIZCTEOSA-N 2 2 344.528 3.131 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000297296083 456176162 /nfs/dbraw/zinc/17/61/62/456176162.db2.gz MBCDPYWGPAMQIV-YOEHRIQHSA-N 2 2 341.459 3.281 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCO[C@@H](C)C3)c[nH+]c12 ZINC000273116902 456182343 /nfs/dbraw/zinc/18/23/43/456182343.db2.gz YOXWSKWJTIKECA-WCQYABFASA-N 2 2 338.249 3.062 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1O ZINC000289929903 456185719 /nfs/dbraw/zinc/18/57/19/456185719.db2.gz VPPVHUQNQAZXTD-OAHLLOKOSA-N 2 2 341.455 3.111 20 0 EGADLP CC1CCC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000236828184 456189765 /nfs/dbraw/zinc/18/97/65/456189765.db2.gz ARBLLNDSRWPTIE-UHFFFAOYSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000297369363 456202244 /nfs/dbraw/zinc/20/22/44/456202244.db2.gz GJGXDSMDPLWLNP-UWJYYQICSA-N 3 2 338.499 3.331 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415739 456215219 /nfs/dbraw/zinc/21/52/19/456215219.db2.gz LVEIECSYDBYBMO-GOEBONIOSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415739 456215227 /nfs/dbraw/zinc/21/52/27/456215227.db2.gz LVEIECSYDBYBMO-GOEBONIOSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415739 456215235 /nfs/dbraw/zinc/21/52/35/456215235.db2.gz LVEIECSYDBYBMO-GOEBONIOSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415739 456215240 /nfs/dbraw/zinc/21/52/40/456215240.db2.gz LVEIECSYDBYBMO-GOEBONIOSA-N 2 2 338.879 3.360 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000263765744 456216368 /nfs/dbraw/zinc/21/63/68/456216368.db2.gz BOZZWKTUGWLXJG-GFCCVEGCSA-N 2 2 348.244 3.100 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3CC[N@H+](CC(C)C)C3)c2c1 ZINC000301931060 456253392 /nfs/dbraw/zinc/25/33/92/456253392.db2.gz OHANQHGRTBQXMG-HNNXBMFYSA-N 2 2 328.460 3.337 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3CC[N@@H+](CC(C)C)C3)c2c1 ZINC000301931060 456253394 /nfs/dbraw/zinc/25/33/94/456253394.db2.gz OHANQHGRTBQXMG-HNNXBMFYSA-N 2 2 328.460 3.337 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061872 456277964 /nfs/dbraw/zinc/27/79/64/456277964.db2.gz UDINRCUCSRUKIT-GJZGRUSLSA-N 2 2 346.523 3.126 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061872 456277967 /nfs/dbraw/zinc/27/79/67/456277967.db2.gz UDINRCUCSRUKIT-GJZGRUSLSA-N 2 2 346.523 3.126 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000275680524 456285092 /nfs/dbraw/zinc/28/50/92/456285092.db2.gz YZDMAKUFCZSOMQ-AWEZNQCLSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000275680524 456285097 /nfs/dbraw/zinc/28/50/97/456285097.db2.gz YZDMAKUFCZSOMQ-AWEZNQCLSA-N 2 2 325.391 3.114 20 0 EGADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721929 456296459 /nfs/dbraw/zinc/29/64/59/456296459.db2.gz SPJGRQYOCARKLF-HIFRSBDPSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721929 456296464 /nfs/dbraw/zinc/29/64/64/456296464.db2.gz SPJGRQYOCARKLF-HIFRSBDPSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721929 456296467 /nfs/dbraw/zinc/29/64/67/456296467.db2.gz SPJGRQYOCARKLF-HIFRSBDPSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721929 456296471 /nfs/dbraw/zinc/29/64/71/456296471.db2.gz SPJGRQYOCARKLF-HIFRSBDPSA-N 2 2 338.517 3.198 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000290343796 456299004 /nfs/dbraw/zinc/29/90/04/456299004.db2.gz FQTGTHRRGVCJSC-UHFFFAOYSA-N 2 2 329.492 3.445 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000290343796 456299005 /nfs/dbraw/zinc/29/90/05/456299005.db2.gz FQTGTHRRGVCJSC-UHFFFAOYSA-N 2 2 329.492 3.445 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000275763373 456307187 /nfs/dbraw/zinc/30/71/87/456307187.db2.gz YAIGBZTXWTXKGU-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000275763373 456307192 /nfs/dbraw/zinc/30/71/92/456307192.db2.gz YAIGBZTXWTXKGU-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000275763373 456307198 /nfs/dbraw/zinc/30/71/98/456307198.db2.gz YAIGBZTXWTXKGU-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000275763373 456307201 /nfs/dbraw/zinc/30/72/01/456307201.db2.gz YAIGBZTXWTXKGU-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)oc1C ZINC000352795755 456316535 /nfs/dbraw/zinc/31/65/35/456316535.db2.gz FFDQKZOYTYURME-KRWDZBQOSA-N 2 2 348.487 3.319 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)oc1C ZINC000352795755 456316543 /nfs/dbraw/zinc/31/65/43/456316543.db2.gz FFDQKZOYTYURME-KRWDZBQOSA-N 2 2 348.487 3.319 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923658 456317545 /nfs/dbraw/zinc/31/75/45/456317545.db2.gz ZCJCBJZDTBTCHG-OAHLLOKOSA-N 2 2 344.528 3.437 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923658 456317548 /nfs/dbraw/zinc/31/75/48/456317548.db2.gz ZCJCBJZDTBTCHG-OAHLLOKOSA-N 2 2 344.528 3.437 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923658 456317551 /nfs/dbraw/zinc/31/75/51/456317551.db2.gz ZCJCBJZDTBTCHG-OAHLLOKOSA-N 2 2 344.528 3.437 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923658 456317555 /nfs/dbraw/zinc/31/75/55/456317555.db2.gz ZCJCBJZDTBTCHG-OAHLLOKOSA-N 2 2 344.528 3.437 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824809 456339104 /nfs/dbraw/zinc/33/91/04/456339104.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824809 456339109 /nfs/dbraw/zinc/33/91/09/456339109.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824809 456339117 /nfs/dbraw/zinc/33/91/17/456339117.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824809 456339126 /nfs/dbraw/zinc/33/91/26/456339126.db2.gz NGOBKBJSLYUARB-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352836358 456351315 /nfs/dbraw/zinc/35/13/15/456351315.db2.gz KLNBYKBAPLEKEH-LSDHHAIUSA-N 2 2 348.434 3.234 20 0 EGADLP COc1cccc2c(N3CCN(c4cc(C)cc[nH+]4)CC3)cc[nH+]c12 ZINC000302514083 456352056 /nfs/dbraw/zinc/35/20/56/456352056.db2.gz GTFJMQNMIHFEAU-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cscc2C(F)(F)F)CCCO1 ZINC000352863150 456370675 /nfs/dbraw/zinc/37/06/75/456370675.db2.gz STBRZBYOWFDNNC-GFCCVEGCSA-N 2 2 336.423 3.357 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cscc2C(F)(F)F)CCCO1 ZINC000352863150 456370683 /nfs/dbraw/zinc/37/06/83/456370683.db2.gz STBRZBYOWFDNNC-GFCCVEGCSA-N 2 2 336.423 3.357 20 0 EGADLP COC(=O)c1occc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000343070661 456385490 /nfs/dbraw/zinc/38/54/90/456385490.db2.gz PTZFYNGMLMNADG-UHFFFAOYSA-N 2 2 342.439 3.342 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(F)cn1 ZINC000348105372 456484808 /nfs/dbraw/zinc/48/48/08/456484808.db2.gz RLFSAGXPGMTMAK-LBPRGKRZSA-N 2 2 335.398 3.281 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340373382 456421653 /nfs/dbraw/zinc/42/16/53/456421653.db2.gz NKFNZVRMVXXTNW-UYAOXDASSA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340373382 456421659 /nfs/dbraw/zinc/42/16/59/456421659.db2.gz NKFNZVRMVXXTNW-UYAOXDASSA-N 2 2 347.466 3.192 20 0 EGADLP CC(C)[NH+](CCN[C@@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000343134971 456425887 /nfs/dbraw/zinc/42/58/87/456425887.db2.gz VIWSLBKKOUEISJ-PZJWPPBQSA-N 2 2 347.547 3.157 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)nn1C ZINC000282204517 456442752 /nfs/dbraw/zinc/44/27/52/456442752.db2.gz OBIOBHGTOJSEAK-KRWDZBQOSA-N 2 2 326.488 3.352 20 0 EGADLP CC[N@@H+](Cc1ccoc1)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000303376554 456458948 /nfs/dbraw/zinc/45/89/48/456458948.db2.gz OQFVZIFDQZJYFG-QGZVFWFLSA-N 2 2 327.428 3.129 20 0 EGADLP CC[N@H+](Cc1ccoc1)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000303376554 456458953 /nfs/dbraw/zinc/45/89/53/456458953.db2.gz OQFVZIFDQZJYFG-QGZVFWFLSA-N 2 2 327.428 3.129 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000290936036 456471507 /nfs/dbraw/zinc/47/15/07/456471507.db2.gz SQIGLPKJVLTOAK-UHFFFAOYSA-N 2 2 346.302 3.367 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000282376560 456493601 /nfs/dbraw/zinc/49/36/01/456493601.db2.gz CODLFVOYTYBCQM-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000282376560 456493608 /nfs/dbraw/zinc/49/36/08/456493608.db2.gz CODLFVOYTYBCQM-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340535429 456517251 /nfs/dbraw/zinc/51/72/51/456517251.db2.gz YSWYSGLLXQJTFS-KYNGSXCRSA-N 2 2 333.545 3.084 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340535429 456517254 /nfs/dbraw/zinc/51/72/54/456517254.db2.gz YSWYSGLLXQJTFS-KYNGSXCRSA-N 2 2 333.545 3.084 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000305163438 456532276 /nfs/dbraw/zinc/53/22/76/456532276.db2.gz XQXGOOPFGOCNLY-DZKIICNBSA-N 2 2 340.558 3.356 20 0 EGADLP CC(C)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679116 456548825 /nfs/dbraw/zinc/54/88/25/456548825.db2.gz VWGAVSFFFAWCNK-MSOLQXFVSA-N 2 2 340.471 3.135 20 0 EGADLP CC(C)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679116 456548834 /nfs/dbraw/zinc/54/88/34/456548834.db2.gz VWGAVSFFFAWCNK-MSOLQXFVSA-N 2 2 340.471 3.135 20 0 EGADLP COC[C@@H](CC(C)(C)C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000651741743 462321316 /nfs/dbraw/zinc/32/13/16/462321316.db2.gz UTTYLQOKSRNGOX-WBVHZDCISA-N 2 2 334.508 3.085 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000348243345 456563786 /nfs/dbraw/zinc/56/37/86/456563786.db2.gz LILBSCKCKACLCV-YSFYHYPLSA-N 2 2 336.479 3.015 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000348243345 456563789 /nfs/dbraw/zinc/56/37/89/456563789.db2.gz LILBSCKCKACLCV-YSFYHYPLSA-N 2 2 336.479 3.015 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000291227383 456571549 /nfs/dbraw/zinc/57/15/49/456571549.db2.gz SWWASNYNKXBAFA-HLLBOEOZSA-N 2 2 327.476 3.071 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000291227383 456571553 /nfs/dbraw/zinc/57/15/53/456571553.db2.gz SWWASNYNKXBAFA-HLLBOEOZSA-N 2 2 327.476 3.071 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000310703826 456583543 /nfs/dbraw/zinc/58/35/43/456583543.db2.gz RPVBSVRRELADMF-UZLBHIALSA-N 2 2 338.451 3.226 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000310703826 456583545 /nfs/dbraw/zinc/58/35/45/456583545.db2.gz RPVBSVRRELADMF-UZLBHIALSA-N 2 2 338.451 3.226 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@@H]3c3ccnn3C(C)C)n2c1 ZINC000343404099 456598087 /nfs/dbraw/zinc/59/80/87/456598087.db2.gz QAGZHIKTGDAWGH-APWZRJJASA-N 2 2 339.443 3.040 20 0 EGADLP Cn1cc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)c(C(F)F)n1 ZINC000291305269 456599642 /nfs/dbraw/zinc/59/96/42/456599642.db2.gz XCAVERFHHLIBAJ-UHFFFAOYSA-N 2 2 348.441 3.284 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1c(Cl)cccc1Cl ZINC000317848943 456618355 /nfs/dbraw/zinc/61/83/55/456618355.db2.gz OANDBWABRLVDAY-SMDDNHRTSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1c(Cl)cccc1Cl ZINC000317848943 456618361 /nfs/dbraw/zinc/61/83/61/456618361.db2.gz OANDBWABRLVDAY-SMDDNHRTSA-N 2 2 342.270 3.006 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000348336180 456632686 /nfs/dbraw/zinc/63/26/86/456632686.db2.gz SAOUUDCHOAAKPT-DJJJIMSYSA-N 2 2 327.403 3.301 20 0 EGADLP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000343461427 456636555 /nfs/dbraw/zinc/63/65/55/456636555.db2.gz AJMZZRKSNKMMIP-YADHBBJMSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343461427 456636562 /nfs/dbraw/zinc/63/65/62/456636562.db2.gz AJMZZRKSNKMMIP-YADHBBJMSA-N 2 2 338.495 3.153 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000343476858 456649525 /nfs/dbraw/zinc/64/95/25/456649525.db2.gz OBQHRDQRWRTMID-HNAYVOBHSA-N 2 2 329.488 3.245 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000343476858 456649529 /nfs/dbraw/zinc/64/95/29/456649529.db2.gz OBQHRDQRWRTMID-HNAYVOBHSA-N 2 2 329.488 3.245 20 0 EGADLP COC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000353392455 456670800 /nfs/dbraw/zinc/67/08/00/456670800.db2.gz ZNXVZTDOWGUGGT-DAYGRLMNSA-N 2 2 340.895 3.116 20 0 EGADLP COC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000353392455 456670805 /nfs/dbraw/zinc/67/08/05/456670805.db2.gz ZNXVZTDOWGUGGT-DAYGRLMNSA-N 2 2 340.895 3.116 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000324736942 456672806 /nfs/dbraw/zinc/67/28/06/456672806.db2.gz LPYBMAYGTSCNNQ-GOSISDBHSA-N 2 2 326.484 3.375 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000324736942 456672811 /nfs/dbraw/zinc/67/28/11/456672811.db2.gz LPYBMAYGTSCNNQ-GOSISDBHSA-N 2 2 326.484 3.375 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000299470768 456702673 /nfs/dbraw/zinc/70/26/73/456702673.db2.gz VMTICMCXHFACKH-KRWDZBQOSA-N 2 2 342.487 3.172 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000338256693 456734547 /nfs/dbraw/zinc/73/45/47/456734547.db2.gz ZDAFNPDXLJJBFS-QGZVFWFLSA-N 2 2 331.504 3.011 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000338256693 456734554 /nfs/dbraw/zinc/73/45/54/456734554.db2.gz ZDAFNPDXLJJBFS-QGZVFWFLSA-N 2 2 331.504 3.011 20 0 EGADLP CC[C@@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)C1(C(=O)OC)CCC1 ZINC000353546421 456748694 /nfs/dbraw/zinc/74/86/94/456748694.db2.gz WIKHZELBOATZRX-GOSISDBHSA-N 2 2 343.471 3.446 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727330 456768962 /nfs/dbraw/zinc/76/89/62/456768962.db2.gz STXWNPFGECFNKQ-KIQACKJLSA-N 2 2 336.479 3.460 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727330 456768967 /nfs/dbraw/zinc/76/89/67/456768967.db2.gz STXWNPFGECFNKQ-KIQACKJLSA-N 2 2 336.479 3.460 20 0 EGADLP Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301076808 456791263 /nfs/dbraw/zinc/79/12/63/456791263.db2.gz QDXKYXJPFBDMAG-SFHVURJKSA-N 2 2 340.471 3.394 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCC3)C2 ZINC000344160453 456802166 /nfs/dbraw/zinc/80/21/66/456802166.db2.gz DVXYJNZFCTWFLE-JFTQMJAMSA-N 2 2 329.488 3.043 20 0 EGADLP CSc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)OCCO2 ZINC000277425416 456820971 /nfs/dbraw/zinc/82/09/71/456820971.db2.gz JFXZJIHETDJLIL-HNNXBMFYSA-N 2 2 336.501 3.096 20 0 EGADLP CSc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1)OCCO2 ZINC000277425416 456820979 /nfs/dbraw/zinc/82/09/79/456820979.db2.gz JFXZJIHETDJLIL-HNNXBMFYSA-N 2 2 336.501 3.096 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1OC(F)F ZINC000277448764 456829239 /nfs/dbraw/zinc/82/92/39/456829239.db2.gz KRMUHMWEJBDMCQ-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1OC(F)F ZINC000277448764 456829242 /nfs/dbraw/zinc/82/92/42/456829242.db2.gz KRMUHMWEJBDMCQ-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP CO[C@H](C[N@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569004 456839711 /nfs/dbraw/zinc/83/97/11/456839711.db2.gz RWJXBQHKNFEARF-NJYVYQBISA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[N@@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569004 456839715 /nfs/dbraw/zinc/83/97/15/456839715.db2.gz RWJXBQHKNFEARF-NJYVYQBISA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569004 456839720 /nfs/dbraw/zinc/83/97/20/456839720.db2.gz RWJXBQHKNFEARF-NJYVYQBISA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569004 456839724 /nfs/dbraw/zinc/83/97/24/456839724.db2.gz RWJXBQHKNFEARF-NJYVYQBISA-N 2 2 339.483 3.394 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000349320381 456940584 /nfs/dbraw/zinc/94/05/84/456940584.db2.gz VINWMWCZZDNGJM-PBHICJAKSA-N 2 2 334.460 3.199 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349411086 456964454 /nfs/dbraw/zinc/96/44/54/456964454.db2.gz WOMVGJINHVNTDN-UHFFFAOYSA-N 2 2 329.444 3.290 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000354035079 457023746 /nfs/dbraw/zinc/02/37/46/457023746.db2.gz VPWITAHMPVWPHB-XLIONFOSSA-N 2 2 345.531 3.393 20 0 EGADLP Cn1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2cc(Cl)ccc21 ZINC000354045075 457029804 /nfs/dbraw/zinc/02/98/04/457029804.db2.gz PLPOHYIJLQPSRT-HNNXBMFYSA-N 2 2 342.830 3.275 20 0 EGADLP Cn1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2cc(Cl)ccc21 ZINC000354045075 457029813 /nfs/dbraw/zinc/02/98/13/457029813.db2.gz PLPOHYIJLQPSRT-HNNXBMFYSA-N 2 2 342.830 3.275 20 0 EGADLP Cn1ncc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356524182 457035483 /nfs/dbraw/zinc/03/54/83/457035483.db2.gz KKOMYFOPUHZEBU-DLBZAZTESA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356524182 457035489 /nfs/dbraw/zinc/03/54/89/457035489.db2.gz KKOMYFOPUHZEBU-DLBZAZTESA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356524182 457035496 /nfs/dbraw/zinc/03/54/96/457035496.db2.gz KKOMYFOPUHZEBU-DLBZAZTESA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356524182 457035501 /nfs/dbraw/zinc/03/55/01/457035501.db2.gz KKOMYFOPUHZEBU-DLBZAZTESA-N 2 2 344.890 3.027 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346591366 457063965 /nfs/dbraw/zinc/06/39/65/457063965.db2.gz QDUSMHYJEUMFBI-SJORKVTESA-N 2 2 348.450 3.069 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000346591366 457063967 /nfs/dbraw/zinc/06/39/67/457063967.db2.gz QDUSMHYJEUMFBI-SJORKVTESA-N 2 2 348.450 3.069 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000356579045 457065956 /nfs/dbraw/zinc/06/59/56/457065956.db2.gz PSINDPBCWFKCIV-SJORKVTESA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000356579045 457065961 /nfs/dbraw/zinc/06/59/61/457065961.db2.gz PSINDPBCWFKCIV-SJORKVTESA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000356579045 457065963 /nfs/dbraw/zinc/06/59/63/457065963.db2.gz PSINDPBCWFKCIV-SJORKVTESA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C ZINC000356579045 457065968 /nfs/dbraw/zinc/06/59/68/457065968.db2.gz PSINDPBCWFKCIV-SJORKVTESA-N 2 2 348.487 3.461 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426013 457108556 /nfs/dbraw/zinc/10/85/56/457108556.db2.gz IXLVCOAJJUDHOR-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426013 457108559 /nfs/dbraw/zinc/10/85/59/457108559.db2.gz IXLVCOAJJUDHOR-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426013 457108563 /nfs/dbraw/zinc/10/85/63/457108563.db2.gz IXLVCOAJJUDHOR-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426013 457108565 /nfs/dbraw/zinc/10/85/65/457108565.db2.gz IXLVCOAJJUDHOR-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000346695615 457116401 /nfs/dbraw/zinc/11/64/01/457116401.db2.gz DUEZVYJCCDLRCA-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000346695615 457116408 /nfs/dbraw/zinc/11/64/08/457116408.db2.gz DUEZVYJCCDLRCA-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000342123892 457122350 /nfs/dbraw/zinc/12/23/50/457122350.db2.gz IDECVDOQFFGSFF-OAHLLOKOSA-N 2 2 339.439 3.277 20 0 EGADLP Cc1cc(NC(=O)NCC[N@@H+](C)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000356707029 457126612 /nfs/dbraw/zinc/12/66/12/457126612.db2.gz KLIWNHHUCKBTEG-INIZCTEOSA-N 2 2 347.507 3.231 20 0 EGADLP Cc1cc(NC(=O)NCC[N@H+](C)C(C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000356707029 457126615 /nfs/dbraw/zinc/12/66/15/457126615.db2.gz KLIWNHHUCKBTEG-INIZCTEOSA-N 2 2 347.507 3.231 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)C2 ZINC000356708399 457126815 /nfs/dbraw/zinc/12/68/15/457126815.db2.gz XCAKUKCWNWHPHP-INIZCTEOSA-N 2 2 348.535 3.215 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC2 ZINC000356708399 457126823 /nfs/dbraw/zinc/12/68/23/457126823.db2.gz XCAKUKCWNWHPHP-INIZCTEOSA-N 2 2 348.535 3.215 20 0 EGADLP OC[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1c(F)cccc1Cl ZINC000354281791 457170922 /nfs/dbraw/zinc/17/09/22/457170922.db2.gz KSTPWWBTSWVYNF-ZDUSSCGKSA-N 2 2 347.821 3.068 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000339662326 457199728 /nfs/dbraw/zinc/19/97/28/457199728.db2.gz YBXDILZOJYMTTQ-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000339662326 457199733 /nfs/dbraw/zinc/19/97/33/457199733.db2.gz YBXDILZOJYMTTQ-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356890255 457201555 /nfs/dbraw/zinc/20/15/55/457201555.db2.gz GAPYYVFTTZZACY-NSHDSACASA-N 2 2 333.398 3.229 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000342280812 457209286 /nfs/dbraw/zinc/20/92/86/457209286.db2.gz AZGYNWSMBXODKO-BEFAXECRSA-N 2 2 335.455 3.019 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000342280812 457209294 /nfs/dbraw/zinc/20/92/94/457209294.db2.gz AZGYNWSMBXODKO-BEFAXECRSA-N 2 2 335.455 3.019 20 0 EGADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000342293005 457217763 /nfs/dbraw/zinc/21/77/63/457217763.db2.gz OHOWZSFGUDVHEP-INIZCTEOSA-N 2 2 341.842 3.391 20 0 EGADLP Cc1[nH+]ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c1Cl ZINC000357011341 457274979 /nfs/dbraw/zinc/27/49/79/457274979.db2.gz NSJDAEXTKMGVIC-QZTJIDSGSA-N 2 2 343.858 3.133 20 0 EGADLP Cc1[nH+]ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1Cl ZINC000357011341 457274984 /nfs/dbraw/zinc/27/49/84/457274984.db2.gz NSJDAEXTKMGVIC-QZTJIDSGSA-N 2 2 343.858 3.133 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](CC(C)C)C(=O)Nc2nccs2)c[nH+]1 ZINC000354554638 457286584 /nfs/dbraw/zinc/28/65/84/457286584.db2.gz ZKLCGLBDGMTZQN-INIZCTEOSA-N 2 2 346.500 3.422 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)cc1OC ZINC000342435345 457303514 /nfs/dbraw/zinc/30/35/14/457303514.db2.gz MIUOWTHRQGNOTF-INIZCTEOSA-N 2 2 328.456 3.314 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1OC ZINC000342435345 457303518 /nfs/dbraw/zinc/30/35/18/457303518.db2.gz MIUOWTHRQGNOTF-INIZCTEOSA-N 2 2 328.456 3.314 20 0 EGADLP CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000357093954 457318279 /nfs/dbraw/zinc/31/82/79/457318279.db2.gz LCQBDCQQYQPTSM-UHFFFAOYSA-N 2 2 340.471 3.129 20 0 EGADLP CCc1nc(NCc2[nH+]ccn2CCCc2ccccc2)cc(C)[nH+]1 ZINC000340019820 457321362 /nfs/dbraw/zinc/32/13/62/457321362.db2.gz UOURLFROFOLIQY-UHFFFAOYSA-N 2 2 335.455 3.211 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000378104370 457374480 /nfs/dbraw/zinc/37/44/80/457374480.db2.gz RLWKHDMKSLGUQM-SFHVURJKSA-N 2 2 326.488 3.015 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000378104370 457374487 /nfs/dbraw/zinc/37/44/87/457374487.db2.gz RLWKHDMKSLGUQM-SFHVURJKSA-N 2 2 326.488 3.015 20 0 EGADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000357265123 457409960 /nfs/dbraw/zinc/40/99/60/457409960.db2.gz DXCKDJKMXXNAIS-KRWDZBQOSA-N 2 2 348.878 3.044 20 0 EGADLP C[C@H]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c2ccccc2S1 ZINC000352507412 457426898 /nfs/dbraw/zinc/42/68/98/457426898.db2.gz CFGDTFDPFHSDBK-HOTGVXAUSA-N 2 2 347.528 3.107 20 0 EGADLP C[C@H]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c2ccccc2S1 ZINC000352507412 457426900 /nfs/dbraw/zinc/42/69/00/457426900.db2.gz CFGDTFDPFHSDBK-HOTGVXAUSA-N 2 2 347.528 3.107 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352545125 457454957 /nfs/dbraw/zinc/45/49/57/457454957.db2.gz GDZQGACPERHGJS-SFHVURJKSA-N 2 2 340.414 3.262 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352545125 457454963 /nfs/dbraw/zinc/45/49/63/457454963.db2.gz GDZQGACPERHGJS-SFHVURJKSA-N 2 2 340.414 3.262 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374052370 457458990 /nfs/dbraw/zinc/45/89/90/457458990.db2.gz DEYZYOOCRDWMLO-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374052370 457458991 /nfs/dbraw/zinc/45/89/91/457458991.db2.gz DEYZYOOCRDWMLO-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)c1C ZINC000360951515 457459611 /nfs/dbraw/zinc/45/96/11/457459611.db2.gz PJXUTAKOVCLNBT-UHFFFAOYSA-N 2 2 331.379 3.389 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)c1 ZINC000342709136 457470699 /nfs/dbraw/zinc/47/06/99/457470699.db2.gz XHKWZBLQFBHPFK-UHFFFAOYSA-N 2 2 347.466 3.113 20 0 EGADLP COc1ccc(F)cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000360972896 457481212 /nfs/dbraw/zinc/48/12/12/457481212.db2.gz DRNRIQGPMGFCGA-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000360973887 457481378 /nfs/dbraw/zinc/48/13/78/457481378.db2.gz LDAVIAJYIFQXLX-ZIFCJYIRSA-N 2 2 336.520 3.353 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000364121392 457488283 /nfs/dbraw/zinc/48/82/83/457488283.db2.gz MUXYGMALEIAMGK-UWWQBHOKSA-N 2 2 348.512 3.075 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000364121392 457488291 /nfs/dbraw/zinc/48/82/91/457488291.db2.gz MUXYGMALEIAMGK-UWWQBHOKSA-N 2 2 348.512 3.075 20 0 EGADLP CCc1oc2ccccc2c1C[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425328774 457500482 /nfs/dbraw/zinc/50/04/82/457500482.db2.gz UXHHSGNPUOMDBB-UHFFFAOYSA-N 2 2 326.444 3.427 20 0 EGADLP CCc1oc2ccccc2c1C[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425328774 457500489 /nfs/dbraw/zinc/50/04/89/457500489.db2.gz UXHHSGNPUOMDBB-UHFFFAOYSA-N 2 2 326.444 3.427 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000399197062 457505493 /nfs/dbraw/zinc/50/54/93/457505493.db2.gz JPUOLLBTYSVABU-GDBMZVCRSA-N 2 2 331.485 3.294 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000399197062 457505497 /nfs/dbraw/zinc/50/54/97/457505497.db2.gz JPUOLLBTYSVABU-GDBMZVCRSA-N 2 2 331.485 3.294 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2csc(C)n2)[C@@H](C)C1 ZINC000361005711 457505617 /nfs/dbraw/zinc/50/56/17/457505617.db2.gz WRLIBUWGBNRLAY-LZWOXQAQSA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2csc(C)n2)[C@@H](C)C1 ZINC000361005711 457505619 /nfs/dbraw/zinc/50/56/19/457505619.db2.gz WRLIBUWGBNRLAY-LZWOXQAQSA-N 2 2 325.522 3.239 20 0 EGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400338111 457512212 /nfs/dbraw/zinc/51/22/12/457512212.db2.gz HZBFYCRPXWEBCH-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779062 457519961 /nfs/dbraw/zinc/51/99/61/457519961.db2.gz NPUAAVVTFQUQBO-QFBILLFUSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779062 457519971 /nfs/dbraw/zinc/51/99/71/457519971.db2.gz NPUAAVVTFQUQBO-QFBILLFUSA-N 2 2 338.499 3.384 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370063689 457524941 /nfs/dbraw/zinc/52/49/41/457524941.db2.gz RUOMAAPSQLQCHU-INIZCTEOSA-N 2 2 329.444 3.077 20 0 EGADLP COc1ccc(OCCC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370063689 457524948 /nfs/dbraw/zinc/52/49/48/457524948.db2.gz RUOMAAPSQLQCHU-INIZCTEOSA-N 2 2 329.444 3.077 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361042571 457536214 /nfs/dbraw/zinc/53/62/14/457536214.db2.gz AEVZYHKDRAVYIK-SFHVURJKSA-N 2 2 346.519 3.166 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(OCC(F)F)c2)s1 ZINC000352751997 457581557 /nfs/dbraw/zinc/58/15/57/457581557.db2.gz WRESJALHINCOGM-UHFFFAOYSA-N 2 2 341.427 3.138 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000425931426 457654166 /nfs/dbraw/zinc/65/41/66/457654166.db2.gz LSDJYHUFHVTCLP-VQTJNVASSA-N 2 2 336.479 3.417 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000425931426 457654172 /nfs/dbraw/zinc/65/41/72/457654172.db2.gz LSDJYHUFHVTCLP-VQTJNVASSA-N 2 2 336.479 3.417 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000361290496 457680698 /nfs/dbraw/zinc/68/06/98/457680698.db2.gz SRFNPOZMBJRAAW-ZDUSSCGKSA-N 2 2 341.846 3.495 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361292084 457681145 /nfs/dbraw/zinc/68/11/45/457681145.db2.gz XQXGOOPFGOCNLY-FMKPAKJESA-N 2 2 340.558 3.356 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)F ZINC000370632485 457687201 /nfs/dbraw/zinc/68/72/01/457687201.db2.gz BDQSWZLLFPLMKD-DZKIICNBSA-N 2 2 340.414 3.192 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794920 457692574 /nfs/dbraw/zinc/69/25/74/457692574.db2.gz ODKHQKJLZNHFIC-PKOBYXMFSA-N 2 2 334.504 3.401 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794920 457692578 /nfs/dbraw/zinc/69/25/78/457692578.db2.gz ODKHQKJLZNHFIC-PKOBYXMFSA-N 2 2 334.504 3.401 20 0 EGADLP C[N@@H+](Cc1ccc(F)cn1)[C@H]1CCC[NH+](Cc2ccc(F)cn2)CC1 ZINC000364896223 457714077 /nfs/dbraw/zinc/71/40/77/457714077.db2.gz PAEXUFKUKHTKKS-IBGZPJMESA-N 2 2 346.425 3.241 20 0 EGADLP C[NH+](Cc1ccc(F)cn1)[C@H]1CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC000364896223 457714080 /nfs/dbraw/zinc/71/40/80/457714080.db2.gz PAEXUFKUKHTKKS-IBGZPJMESA-N 2 2 346.425 3.241 20 0 EGADLP C[NH+](Cc1ccc(F)cn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000364896223 457714083 /nfs/dbraw/zinc/71/40/83/457714083.db2.gz PAEXUFKUKHTKKS-IBGZPJMESA-N 2 2 346.425 3.241 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002610 457736735 /nfs/dbraw/zinc/73/67/35/457736735.db2.gz HKLOTICPKDXLKH-IERDGZPVSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002610 457736738 /nfs/dbraw/zinc/73/67/38/457736738.db2.gz HKLOTICPKDXLKH-IERDGZPVSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1cc(C)cc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000358015847 457740773 /nfs/dbraw/zinc/74/07/73/457740773.db2.gz FSYPEFBOHPUQGK-UHFFFAOYSA-N 2 2 339.483 3.331 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000358021341 457741896 /nfs/dbraw/zinc/74/18/96/457741896.db2.gz NKHTUCJRNOWLAH-UXPWSPDFSA-N 2 2 337.467 3.439 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021341 457741899 /nfs/dbraw/zinc/74/18/99/457741899.db2.gz NKHTUCJRNOWLAH-UXPWSPDFSA-N 2 2 337.467 3.439 20 0 EGADLP C[NH+]1CCC(Nc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443436320 457765151 /nfs/dbraw/zinc/76/51/51/457765151.db2.gz JDTGATNGBMBZAY-UHFFFAOYSA-N 2 2 338.224 3.064 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649177 457767610 /nfs/dbraw/zinc/76/76/10/457767610.db2.gz MPXWIBNAZJYXSL-BLLLJJGKSA-N 2 2 337.826 3.126 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649177 457767618 /nfs/dbraw/zinc/76/76/18/457767618.db2.gz MPXWIBNAZJYXSL-BLLLJJGKSA-N 2 2 337.826 3.126 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358081844 457773871 /nfs/dbraw/zinc/77/38/71/457773871.db2.gz IYMWBXJMYAMSQG-JZXOWHBKSA-N 2 2 332.488 3.217 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358081844 457773875 /nfs/dbraw/zinc/77/38/75/457773875.db2.gz IYMWBXJMYAMSQG-JZXOWHBKSA-N 2 2 332.488 3.217 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531413 457774571 /nfs/dbraw/zinc/77/45/71/457774571.db2.gz RITSXYINGNHRIQ-DZGCQCFKSA-N 2 2 345.409 3.327 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531413 457774578 /nfs/dbraw/zinc/77/45/78/457774578.db2.gz RITSXYINGNHRIQ-DZGCQCFKSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531413 457774580 /nfs/dbraw/zinc/77/45/80/457774580.db2.gz RITSXYINGNHRIQ-DZGCQCFKSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531413 457774588 /nfs/dbraw/zinc/77/45/88/457774588.db2.gz RITSXYINGNHRIQ-DZGCQCFKSA-N 2 2 345.409 3.327 20 0 EGADLP CC1=CC[N@H+](CC[NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000358132834 457805170 /nfs/dbraw/zinc/80/51/70/457805170.db2.gz HIEVLJPIERUXLJ-UHFFFAOYSA-N 2 2 344.890 3.482 20 0 EGADLP CC1=CC[N@@H+](CC[NH2+]Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000358132834 457805177 /nfs/dbraw/zinc/80/51/77/457805177.db2.gz HIEVLJPIERUXLJ-UHFFFAOYSA-N 2 2 344.890 3.482 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366543824 457845696 /nfs/dbraw/zinc/84/56/96/457845696.db2.gz JUUFMXBKSYZQGS-RDTXWAMCSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366543824 457845701 /nfs/dbraw/zinc/84/57/01/457845701.db2.gz JUUFMXBKSYZQGS-RDTXWAMCSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366543824 457845707 /nfs/dbraw/zinc/84/57/07/457845707.db2.gz JUUFMXBKSYZQGS-RDTXWAMCSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366543824 457845714 /nfs/dbraw/zinc/84/57/14/457845714.db2.gz JUUFMXBKSYZQGS-RDTXWAMCSA-N 2 2 335.879 3.003 20 0 EGADLP c1ccc(CC[NH+]2CCC(Nc3cc[nH+]c4ccncc34)CC2)cc1 ZINC000444113492 457853146 /nfs/dbraw/zinc/85/31/46/457853146.db2.gz OZVFJYHIIVDHER-UHFFFAOYSA-N 2 2 332.451 3.171 20 0 EGADLP Cc1ccc2nc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cn2c1 ZINC000375311799 457877951 /nfs/dbraw/zinc/87/79/51/457877951.db2.gz WYPDRPZYWGAGRX-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000358246773 457883841 /nfs/dbraw/zinc/88/38/41/457883841.db2.gz LAKUMXHQLNJZDX-DRPJVOAASA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000358246773 457883850 /nfs/dbraw/zinc/88/38/50/457883850.db2.gz LAKUMXHQLNJZDX-DRPJVOAASA-N 2 2 330.394 3.113 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859748 457914282 /nfs/dbraw/zinc/91/42/82/457914282.db2.gz GWQWWHQKUYMVKY-ICSRJNTNSA-N 2 2 341.455 3.392 20 0 EGADLP c1cc2c(cc1C1=CC[N@H+](CCC[NH+]3CCCCC3)CC1)OCCO2 ZINC000444611304 457918982 /nfs/dbraw/zinc/91/89/82/457918982.db2.gz SQEWOSWUIGFENY-UHFFFAOYSA-N 2 2 342.483 3.423 20 0 EGADLP c1cc2c(cc1C1=CC[N@@H+](CCC[NH+]3CCCCC3)CC1)OCCO2 ZINC000444611304 457918985 /nfs/dbraw/zinc/91/89/85/457918985.db2.gz SQEWOSWUIGFENY-UHFFFAOYSA-N 2 2 342.483 3.423 20 0 EGADLP O[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891503 457935006 /nfs/dbraw/zinc/93/50/06/457935006.db2.gz HZVDLXABAKBFEH-NHCUHLMSSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000361891503 457935009 /nfs/dbraw/zinc/93/50/09/457935009.db2.gz HZVDLXABAKBFEH-NHCUHLMSSA-N 2 2 340.442 3.040 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000375455237 457937876 /nfs/dbraw/zinc/93/78/76/457937876.db2.gz ALJPBMNYZIFXID-LJQANCHMSA-N 2 2 325.456 3.429 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000375455237 457937881 /nfs/dbraw/zinc/93/78/81/457937881.db2.gz ALJPBMNYZIFXID-LJQANCHMSA-N 2 2 325.456 3.429 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCC(C)C ZINC000427124566 457946211 /nfs/dbraw/zinc/94/62/11/457946211.db2.gz SVDTYMAYJUWSRT-ROUUACIJSA-N 2 2 332.488 3.304 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCC(C)C ZINC000427124566 457946221 /nfs/dbraw/zinc/94/62/21/457946221.db2.gz SVDTYMAYJUWSRT-ROUUACIJSA-N 2 2 332.488 3.304 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099827 457946911 /nfs/dbraw/zinc/94/69/11/457946911.db2.gz LZBZLQGVJVYHOY-SJLPKXTDSA-N 2 2 337.471 3.324 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099827 457946916 /nfs/dbraw/zinc/94/69/16/457946916.db2.gz LZBZLQGVJVYHOY-SJLPKXTDSA-N 2 2 337.471 3.324 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468515 457948027 /nfs/dbraw/zinc/94/80/27/457948027.db2.gz AUKMTLYUOSNHQN-KBAYOESNSA-N 2 2 349.544 3.484 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468515 457948033 /nfs/dbraw/zinc/94/80/33/457948033.db2.gz AUKMTLYUOSNHQN-KBAYOESNSA-N 2 2 349.544 3.484 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000358388545 457970943 /nfs/dbraw/zinc/97/09/43/457970943.db2.gz ZRLJUGULMNKCNJ-HUUCEWRRSA-N 2 2 337.533 3.120 20 0 EGADLP O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000427295271 457972552 /nfs/dbraw/zinc/97/25/52/457972552.db2.gz NDTFBQHWRVIJPU-OAHLLOKOSA-N 2 2 340.471 3.481 20 0 EGADLP Clc1cccc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000434544051 458015552 /nfs/dbraw/zinc/01/55/52/458015552.db2.gz KKPWOBHYBSEALS-CQSZACIVSA-N 2 2 343.298 3.190 20 0 EGADLP Clc1cccc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000434544051 458015559 /nfs/dbraw/zinc/01/55/59/458015559.db2.gz KKPWOBHYBSEALS-CQSZACIVSA-N 2 2 343.298 3.190 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC(c3nc(C)no3)CC1)CCC2 ZINC000368365587 458031278 /nfs/dbraw/zinc/03/12/78/458031278.db2.gz SKKRSNOKDNIGDS-HWOWSKLDSA-N 2 2 329.448 3.076 20 0 EGADLP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccn1 ZINC000434680139 458035988 /nfs/dbraw/zinc/03/59/88/458035988.db2.gz HLWLDSDJGYJLKF-UHFFFAOYSA-N 2 2 326.444 3.003 20 0 EGADLP Cc1cc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)ccc1F ZINC000427862134 458045502 /nfs/dbraw/zinc/04/55/02/458045502.db2.gz FFXGTQWAYGTZRC-XLIONFOSSA-N 2 2 336.414 3.420 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427861416 458045678 /nfs/dbraw/zinc/04/56/78/458045678.db2.gz SUWZCIQJJQUIHX-RYUDHWBXSA-N 2 2 335.835 3.219 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@]1(C)CCCO1 ZINC000428251490 458106677 /nfs/dbraw/zinc/10/66/77/458106677.db2.gz ZYBCOYZDFLFKBJ-IAGOWNOFSA-N 2 2 326.550 3.285 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435247690 458108796 /nfs/dbraw/zinc/10/87/96/458108796.db2.gz XTIQGIXSMMIGBD-MRXNPFEDSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435247690 458108800 /nfs/dbraw/zinc/10/88/00/458108800.db2.gz XTIQGIXSMMIGBD-MRXNPFEDSA-N 2 2 346.272 3.324 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2csc(C)n2)cc1 ZINC000435368320 458121243 /nfs/dbraw/zinc/12/12/43/458121243.db2.gz APBHEVZZVPWTTI-QGZVFWFLSA-N 2 2 331.485 3.214 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(OCc2csc(C)n2)cc1 ZINC000435368320 458121247 /nfs/dbraw/zinc/12/12/47/458121247.db2.gz APBHEVZZVPWTTI-QGZVFWFLSA-N 2 2 331.485 3.214 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376179 458127206 /nfs/dbraw/zinc/12/72/06/458127206.db2.gz YPOYJMKWVKJPIZ-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376179 458127210 /nfs/dbraw/zinc/12/72/10/458127210.db2.gz YPOYJMKWVKJPIZ-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000435385369 458132881 /nfs/dbraw/zinc/13/28/81/458132881.db2.gz PWVJZBGUSLRDKP-RTBURBONSA-N 2 2 340.467 3.300 20 0 EGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000435385369 458132884 /nfs/dbraw/zinc/13/28/84/458132884.db2.gz PWVJZBGUSLRDKP-RTBURBONSA-N 2 2 340.467 3.300 20 0 EGADLP CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435395069 458136177 /nfs/dbraw/zinc/13/61/77/458136177.db2.gz QSZJYDJZKZBFQV-AWEZNQCLSA-N 2 2 326.868 3.321 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435395069 458136185 /nfs/dbraw/zinc/13/61/85/458136185.db2.gz QSZJYDJZKZBFQV-AWEZNQCLSA-N 2 2 326.868 3.321 20 0 EGADLP CCOc1ccc(-c2noc(C[N@H+](CC)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435617522 458174649 /nfs/dbraw/zinc/17/46/49/458174649.db2.gz WAYVTALLFWTZDA-INIZCTEOSA-N 2 2 344.459 3.099 20 0 EGADLP CCOc1ccc(-c2noc(C[N@@H+](CC)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435617522 458174654 /nfs/dbraw/zinc/17/46/54/458174654.db2.gz WAYVTALLFWTZDA-INIZCTEOSA-N 2 2 344.459 3.099 20 0 EGADLP Cc1cc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c(C)c[nH+]1 ZINC000362483646 458208555 /nfs/dbraw/zinc/20/85/55/458208555.db2.gz DANPIMSDXUWCQI-UHFFFAOYSA-N 2 2 344.503 3.285 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@H](C)O1 ZINC000428861915 458225141 /nfs/dbraw/zinc/22/51/41/458225141.db2.gz LRGRBSHLOZHBCX-STQMWFEESA-N 2 2 337.464 3.024 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524698 458245076 /nfs/dbraw/zinc/24/50/76/458245076.db2.gz JFYVUHQVMQBNLH-RDTXWAMCSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524698 458245083 /nfs/dbraw/zinc/24/50/83/458245083.db2.gz JFYVUHQVMQBNLH-RDTXWAMCSA-N 2 2 338.455 3.023 20 0 EGADLP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000436284655 458283122 /nfs/dbraw/zinc/28/31/22/458283122.db2.gz MTXHLZMCIHTYTC-RTBURBONSA-N 2 2 343.515 3.020 20 0 EGADLP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000436284655 458283127 /nfs/dbraw/zinc/28/31/27/458283127.db2.gz MTXHLZMCIHTYTC-RTBURBONSA-N 2 2 343.515 3.020 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)CCC2 ZINC000447518011 458302974 /nfs/dbraw/zinc/30/29/74/458302974.db2.gz MTDQVNWEMGENRL-GJZGRUSLSA-N 2 2 334.460 3.216 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)CCC2 ZINC000447518011 458302976 /nfs/dbraw/zinc/30/29/76/458302976.db2.gz MTDQVNWEMGENRL-GJZGRUSLSA-N 2 2 334.460 3.216 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[N@H+]1C ZINC000436508530 458317446 /nfs/dbraw/zinc/31/74/46/458317446.db2.gz PRSYIMQSMGCXEJ-GASCZTMLSA-N 2 2 340.427 3.430 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[N@@H+]1C ZINC000436508530 458317455 /nfs/dbraw/zinc/31/74/55/458317455.db2.gz PRSYIMQSMGCXEJ-GASCZTMLSA-N 2 2 340.427 3.430 20 0 EGADLP Cc1ccoc1C[NH+](C)CC1(C[N@H+](C)Cc2occc2C)COC1 ZINC000429409193 458330696 /nfs/dbraw/zinc/33/06/96/458330696.db2.gz ODOBTTLSQTYRPK-UHFFFAOYSA-N 2 2 332.444 3.070 20 0 EGADLP Cc1ccoc1C[NH+](C)CC1(C[N@@H+](C)Cc2occc2C)COC1 ZINC000429409193 458330700 /nfs/dbraw/zinc/33/07/00/458330700.db2.gz ODOBTTLSQTYRPK-UHFFFAOYSA-N 2 2 332.444 3.070 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459341822 458337414 /nfs/dbraw/zinc/33/74/14/458337414.db2.gz FMHDNCOJVFHJPJ-INIZCTEOSA-N 2 2 340.471 3.013 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459341822 458337417 /nfs/dbraw/zinc/33/74/17/458337417.db2.gz FMHDNCOJVFHJPJ-INIZCTEOSA-N 2 2 340.471 3.013 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(Cl)c1O ZINC000459354668 458340919 /nfs/dbraw/zinc/34/09/19/458340919.db2.gz JLMKCCWNOMFJHD-ZBFHGGJFSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354668 458340931 /nfs/dbraw/zinc/34/09/31/458340931.db2.gz JLMKCCWNOMFJHD-ZBFHGGJFSA-N 2 2 338.879 3.360 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cnc(C2CC2)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000459390660 458356008 /nfs/dbraw/zinc/35/60/08/458356008.db2.gz OURQZQCQQQOGIK-FQEVSTJZSA-N 2 2 336.483 3.281 20 0 EGADLP CCOc1c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)nn1CC(C)C ZINC000373016683 458377095 /nfs/dbraw/zinc/37/70/95/458377095.db2.gz XJQNEZQVYAGXJD-KRWDZBQOSA-N 2 2 336.524 3.162 20 0 EGADLP CCOc1c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)nn1CC(C)C ZINC000373016683 458377098 /nfs/dbraw/zinc/37/70/98/458377098.db2.gz XJQNEZQVYAGXJD-KRWDZBQOSA-N 2 2 336.524 3.162 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021994 458380526 /nfs/dbraw/zinc/38/05/26/458380526.db2.gz LXEQOZZERPELNX-MAUKXSAKSA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021994 458380533 /nfs/dbraw/zinc/38/05/33/458380533.db2.gz LXEQOZZERPELNX-MAUKXSAKSA-N 2 2 347.503 3.122 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]CCc2cccc(Cl)c2)[N@H+](Cc2ccccc2)C1 ZINC000459465859 458381552 /nfs/dbraw/zinc/38/15/52/458381552.db2.gz YBCHLXYYCJWPOC-WOJBJXKFSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]CCc2cccc(Cl)c2)[N@@H+](Cc2ccccc2)C1 ZINC000459465859 458381558 /nfs/dbraw/zinc/38/15/58/458381558.db2.gz YBCHLXYYCJWPOC-WOJBJXKFSA-N 2 2 344.886 3.108 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540341 458404434 /nfs/dbraw/zinc/40/44/34/458404434.db2.gz DKBIUZWWEMGJOQ-JOCHJYFZSA-N 2 2 348.494 3.452 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540341 458404437 /nfs/dbraw/zinc/40/44/37/458404437.db2.gz DKBIUZWWEMGJOQ-JOCHJYFZSA-N 2 2 348.494 3.452 20 0 EGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540341 458404442 /nfs/dbraw/zinc/40/44/42/458404442.db2.gz DKBIUZWWEMGJOQ-JOCHJYFZSA-N 2 2 348.494 3.452 20 0 EGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540341 458404446 /nfs/dbraw/zinc/40/44/46/458404446.db2.gz DKBIUZWWEMGJOQ-JOCHJYFZSA-N 2 2 348.494 3.452 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000373217695 458433094 /nfs/dbraw/zinc/43/30/94/458433094.db2.gz FOXJLZWWSLBHDJ-KRWDZBQOSA-N 2 2 343.471 3.345 20 0 EGADLP CCOCc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000373217695 458433100 /nfs/dbraw/zinc/43/31/00/458433100.db2.gz FOXJLZWWSLBHDJ-KRWDZBQOSA-N 2 2 343.471 3.345 20 0 EGADLP Cc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nn1C ZINC000430291163 458436127 /nfs/dbraw/zinc/43/61/27/458436127.db2.gz PRQXXKMLZGWIFV-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Cc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nn1C ZINC000430291163 458436132 /nfs/dbraw/zinc/43/61/32/458436132.db2.gz PRQXXKMLZGWIFV-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Clc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492433 458442061 /nfs/dbraw/zinc/44/20/61/458442061.db2.gz NAYCOVVVTIKTCV-OALUTQOASA-N 2 2 330.859 3.398 20 0 EGADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491645 458442141 /nfs/dbraw/zinc/44/21/41/458442141.db2.gz KDYYOSZNYKLVMF-SMDDNHRTSA-N 2 2 345.270 3.175 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000423519066 458450482 /nfs/dbraw/zinc/45/04/82/458450482.db2.gz ZUCCVQMKTBWHCK-KSSFIOAISA-N 2 2 326.440 3.371 20 0 EGADLP CCCCCOc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423546430 458456010 /nfs/dbraw/zinc/45/60/10/458456010.db2.gz DGFFKOIFQDYJNP-PMACEKPBSA-N 2 2 332.488 3.285 20 0 EGADLP CC[C@H](C)[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000423580637 458458944 /nfs/dbraw/zinc/45/89/44/458458944.db2.gz SSOAVGZXIUPMLJ-YESZJQIVSA-N 2 2 346.519 3.056 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555414 458460370 /nfs/dbraw/zinc/46/03/70/458460370.db2.gz XCVPICMJXKEACB-WMZOPIPTSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555414 458460383 /nfs/dbraw/zinc/46/03/83/458460383.db2.gz XCVPICMJXKEACB-WMZOPIPTSA-N 2 2 337.467 3.351 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000430582445 458466859 /nfs/dbraw/zinc/46/68/59/458466859.db2.gz WNQAWOGDMZNOJY-OAHLLOKOSA-N 2 2 347.484 3.344 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000430582445 458466863 /nfs/dbraw/zinc/46/68/63/458466863.db2.gz WNQAWOGDMZNOJY-OAHLLOKOSA-N 2 2 347.484 3.344 20 0 EGADLP C[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(C)(C)C[NH3+] ZINC000430596750 458469433 /nfs/dbraw/zinc/46/94/33/458469433.db2.gz PBJDYNPKCAGFOH-UHFFFAOYSA-N 2 2 342.365 3.172 20 0 EGADLP C[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(C)(C)C[NH3+] ZINC000430596750 458469438 /nfs/dbraw/zinc/46/94/38/458469438.db2.gz PBJDYNPKCAGFOH-UHFFFAOYSA-N 2 2 342.365 3.172 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607253 458470965 /nfs/dbraw/zinc/47/09/65/458470965.db2.gz XZGCOXFYDLXYDT-UONOGXRCSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607253 458470968 /nfs/dbraw/zinc/47/09/68/458470968.db2.gz XZGCOXFYDLXYDT-UONOGXRCSA-N 2 2 332.423 3.177 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccn(C)n1 ZINC000459758021 458471052 /nfs/dbraw/zinc/47/10/52/458471052.db2.gz QEFDOZKLZNQYSC-AWEZNQCLSA-N 2 2 332.879 3.389 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430946812 458508429 /nfs/dbraw/zinc/50/84/29/458508429.db2.gz YBZQFUBBOONYRQ-HNAYVOBHSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430946812 458508435 /nfs/dbraw/zinc/50/84/35/458508435.db2.gz YBZQFUBBOONYRQ-HNAYVOBHSA-N 2 2 339.439 3.087 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955114 458510408 /nfs/dbraw/zinc/51/04/08/458510408.db2.gz HQYJSAYJAQHXRN-UTKZUKDTSA-N 2 2 345.531 3.165 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955114 458510413 /nfs/dbraw/zinc/51/04/13/458510413.db2.gz HQYJSAYJAQHXRN-UTKZUKDTSA-N 2 2 345.531 3.165 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966348 458511434 /nfs/dbraw/zinc/51/14/34/458511434.db2.gz NOZANBWLUKRMJR-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966348 458511439 /nfs/dbraw/zinc/51/14/39/458511439.db2.gz NOZANBWLUKRMJR-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000430959368 458511738 /nfs/dbraw/zinc/51/17/38/458511738.db2.gz YQJHVCJKXSDGOK-INIZCTEOSA-N 2 2 331.504 3.413 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000430959368 458511741 /nfs/dbraw/zinc/51/17/41/458511741.db2.gz YQJHVCJKXSDGOK-INIZCTEOSA-N 2 2 331.504 3.413 20 0 EGADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430968256 458512038 /nfs/dbraw/zinc/51/20/38/458512038.db2.gz WKGWECVOUMOUPW-YNEHKIRRSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430968256 458512041 /nfs/dbraw/zinc/51/20/41/458512041.db2.gz WKGWECVOUMOUPW-YNEHKIRRSA-N 2 2 343.393 3.092 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cscc2Br)C1 ZINC000377890329 458566526 /nfs/dbraw/zinc/56/65/26/458566526.db2.gz ULENRMZVCGETIN-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cscc2Br)C1 ZINC000377890329 458566528 /nfs/dbraw/zinc/56/65/28/458566528.db2.gz ULENRMZVCGETIN-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000438124502 458539147 /nfs/dbraw/zinc/53/91/47/458539147.db2.gz GDWFILYEJNVXSF-OAHLLOKOSA-N 2 2 330.501 3.446 20 0 EGADLP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000438124502 458539151 /nfs/dbraw/zinc/53/91/51/458539151.db2.gz GDWFILYEJNVXSF-OAHLLOKOSA-N 2 2 330.501 3.446 20 0 EGADLP Cc1ccc2c(C)cc(N3CCC[C@H](C[NH+]4CCOCC4)C3)[nH+]c2c1 ZINC000460956300 458542140 /nfs/dbraw/zinc/54/21/40/458542140.db2.gz AUSUQHRRDODWOK-GOSISDBHSA-N 2 2 339.483 3.400 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000469223090 458560522 /nfs/dbraw/zinc/56/05/22/458560522.db2.gz YOMIBKMRIVOERG-SLEUVZQESA-N 2 2 341.293 3.449 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OC)C1 ZINC000469223090 458560527 /nfs/dbraw/zinc/56/05/27/458560527.db2.gz YOMIBKMRIVOERG-SLEUVZQESA-N 2 2 341.293 3.449 20 0 EGADLP CC1CC[NH+]([C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000493789205 458567895 /nfs/dbraw/zinc/56/78/95/458567895.db2.gz LQLQYNSSGDZFIN-QULHZPMSSA-N 2 2 338.455 3.012 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000424271146 458598892 /nfs/dbraw/zinc/59/88/92/458598892.db2.gz ORIPFRMLCZLNKJ-GQOXECLESA-N 2 2 344.499 3.001 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)C1 ZINC000424271146 458598898 /nfs/dbraw/zinc/59/88/98/458598898.db2.gz ORIPFRMLCZLNKJ-GQOXECLESA-N 2 2 344.499 3.001 20 0 EGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000469954460 458603324 /nfs/dbraw/zinc/60/33/24/458603324.db2.gz VFZBUZMJTNOYQE-KNQAVFIVSA-N 2 2 343.559 3.310 20 0 EGADLP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000469954460 458603326 /nfs/dbraw/zinc/60/33/26/458603326.db2.gz VFZBUZMJTNOYQE-KNQAVFIVSA-N 2 2 343.559 3.310 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462265178 458607912 /nfs/dbraw/zinc/60/79/12/458607912.db2.gz AKOOCPPAQOEYHA-LMCOJAPRSA-N 2 2 349.563 3.218 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462265178 458607917 /nfs/dbraw/zinc/60/79/17/458607917.db2.gz AKOOCPPAQOEYHA-LMCOJAPRSA-N 2 2 349.563 3.218 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462265177 458608000 /nfs/dbraw/zinc/60/80/00/458608000.db2.gz AKOOCPPAQOEYHA-AFYVEPGGSA-N 2 2 349.563 3.218 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462265177 458608006 /nfs/dbraw/zinc/60/80/06/458608006.db2.gz AKOOCPPAQOEYHA-AFYVEPGGSA-N 2 2 349.563 3.218 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575282 458639363 /nfs/dbraw/zinc/63/93/63/458639363.db2.gz WTBAQZWNABZQBY-RTBURBONSA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575282 458639371 /nfs/dbraw/zinc/63/93/71/458639371.db2.gz WTBAQZWNABZQBY-RTBURBONSA-N 2 2 348.849 3.225 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cncc(F)c2)CCOCC1)c1ccccc1 ZINC000494555313 458697788 /nfs/dbraw/zinc/69/77/88/458697788.db2.gz AEGAASVWGIJQIK-INIZCTEOSA-N 2 2 343.446 3.210 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217188 458720268 /nfs/dbraw/zinc/72/02/68/458720268.db2.gz FQNHZACDUOUPRD-QAPCUYQASA-N 2 2 344.503 3.496 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547641810 458765834 /nfs/dbraw/zinc/76/58/34/458765834.db2.gz KYNHNRLBDJJGNJ-GOSISDBHSA-N 2 2 334.423 3.058 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472452301 458796760 /nfs/dbraw/zinc/79/67/60/458796760.db2.gz XJWIBYRGQUFWDX-WMZOPIPTSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472452301 458796767 /nfs/dbraw/zinc/79/67/67/458796767.db2.gz XJWIBYRGQUFWDX-WMZOPIPTSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472452301 458796770 /nfs/dbraw/zinc/79/67/70/458796770.db2.gz XJWIBYRGQUFWDX-WMZOPIPTSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452301 458796776 /nfs/dbraw/zinc/79/67/76/458796776.db2.gz XJWIBYRGQUFWDX-WMZOPIPTSA-N 2 2 343.515 3.240 20 0 EGADLP COc1cccc2c(NCCC[N@@H+]3CCCO[C@@H](C)C3)c(C)c[nH+]c12 ZINC000432878934 458805073 /nfs/dbraw/zinc/80/50/73/458805073.db2.gz JXKWHWAOHHOLJA-INIZCTEOSA-N 2 2 343.471 3.465 20 0 EGADLP COc1cccc2c(NCCC[N@H+]3CCCO[C@@H](C)C3)c(C)c[nH+]c12 ZINC000432878934 458805076 /nfs/dbraw/zinc/80/50/76/458805076.db2.gz JXKWHWAOHHOLJA-INIZCTEOSA-N 2 2 343.471 3.465 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000472761577 458807846 /nfs/dbraw/zinc/80/78/46/458807846.db2.gz FXBFRLCAHLZNHD-HXUWFJFHSA-N 2 2 349.563 3.366 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000472761577 458807852 /nfs/dbraw/zinc/80/78/52/458807852.db2.gz FXBFRLCAHLZNHD-HXUWFJFHSA-N 2 2 349.563 3.366 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472777669 458808769 /nfs/dbraw/zinc/80/87/69/458808769.db2.gz ZYVQVQYMKCQOCU-LDQXTDLNSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472777669 458808776 /nfs/dbraw/zinc/80/87/76/458808776.db2.gz ZYVQVQYMKCQOCU-LDQXTDLNSA-N 2 2 342.458 3.359 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000548021230 458824959 /nfs/dbraw/zinc/82/49/59/458824959.db2.gz AKJOTOXAXAYTBF-PZJWPPBQSA-N 2 2 348.450 3.492 20 0 EGADLP C[N@@H+]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C2(CCCCC2)C1 ZINC000530925366 458846640 /nfs/dbraw/zinc/84/66/40/458846640.db2.gz RHADUSPGDIQKOF-UHFFFAOYSA-N 2 2 332.879 3.438 20 0 EGADLP C[N@H+]1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)C2(CCCCC2)C1 ZINC000530925366 458846643 /nfs/dbraw/zinc/84/66/43/458846643.db2.gz RHADUSPGDIQKOF-UHFFFAOYSA-N 2 2 332.879 3.438 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000474468877 458887146 /nfs/dbraw/zinc/88/71/46/458887146.db2.gz FIXQEKWJOMOPDI-SCCNAQOGSA-N 2 2 346.515 3.261 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495612405 458896674 /nfs/dbraw/zinc/89/66/74/458896674.db2.gz MASUVTKALCWMEU-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441349759 458925082 /nfs/dbraw/zinc/92/50/82/458925082.db2.gz TWPMIAZVMFZFEJ-MJGOQNOKSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441349759 458925086 /nfs/dbraw/zinc/92/50/86/458925086.db2.gz TWPMIAZVMFZFEJ-MJGOQNOKSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441349759 458925089 /nfs/dbraw/zinc/92/50/89/458925089.db2.gz TWPMIAZVMFZFEJ-MJGOQNOKSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441349759 458925093 /nfs/dbraw/zinc/92/50/93/458925093.db2.gz TWPMIAZVMFZFEJ-MJGOQNOKSA-N 2 2 343.515 3.161 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC000519592906 458969404 /nfs/dbraw/zinc/96/94/04/458969404.db2.gz BTEIVTVLIIXDJW-LJQANCHMSA-N 2 2 344.503 3.295 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC000519592906 458969413 /nfs/dbraw/zinc/96/94/13/458969413.db2.gz BTEIVTVLIIXDJW-LJQANCHMSA-N 2 2 344.503 3.295 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000556585578 458975620 /nfs/dbraw/zinc/97/56/20/458975620.db2.gz MSANKEFPYUWCMI-MSOLQXFVSA-N 2 2 334.504 3.484 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000531931960 459001878 /nfs/dbraw/zinc/00/18/78/459001878.db2.gz ZKCIIWYYYVNMLP-CYBMUJFWSA-N 2 2 345.409 3.354 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000519770917 459003003 /nfs/dbraw/zinc/00/30/03/459003003.db2.gz IQVPHFAMUURMCV-UHFFFAOYSA-N 2 2 326.444 3.431 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761168 459032371 /nfs/dbraw/zinc/03/23/71/459032371.db2.gz WRDQPSLGWKBBIJ-DFNIBXOVSA-N 2 2 337.552 3.122 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761168 459032377 /nfs/dbraw/zinc/03/23/77/459032377.db2.gz WRDQPSLGWKBBIJ-DFNIBXOVSA-N 2 2 337.552 3.122 20 0 EGADLP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041518 459038378 /nfs/dbraw/zinc/03/83/78/459038378.db2.gz JNDWQKWNVFUKOO-TZIWHRDSSA-N 2 2 348.446 3.442 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274167 459060588 /nfs/dbraw/zinc/06/05/88/459060588.db2.gz UYJFZZDBHNXJCA-BDJLRTHQSA-N 2 2 341.268 3.203 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H]3CCCN(C4CCCCC4)C3=O)c[nH+]c12 ZINC000443017253 459074579 /nfs/dbraw/zinc/07/45/79/459074579.db2.gz YUTRCGFSMBNVRJ-GOSISDBHSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)n1C ZINC000567368183 459094940 /nfs/dbraw/zinc/09/49/40/459094940.db2.gz OBOMEZJHDFGXRZ-SFHVURJKSA-N 2 2 332.879 3.309 20 0 EGADLP COCc1cc(NCCCCn2cc[nH+]c2)c2cc(F)ccc2[nH+]1 ZINC000577908794 459114742 /nfs/dbraw/zinc/11/47/42/459114742.db2.gz LGDYDBOEMSQQDZ-UHFFFAOYSA-N 2 2 328.391 3.031 20 0 EGADLP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000594624414 459116946 /nfs/dbraw/zinc/11/69/46/459116946.db2.gz OSVMIEDBDPJWBH-IBGZPJMESA-N 2 2 347.503 3.002 20 0 EGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277294 459131779 /nfs/dbraw/zinc/13/17/79/459131779.db2.gz DHCINAUGAGWSEK-NHCUHLMSSA-N 2 2 329.532 3.452 20 0 EGADLP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277294 459131783 /nfs/dbraw/zinc/13/17/83/459131783.db2.gz DHCINAUGAGWSEK-NHCUHLMSSA-N 2 2 329.532 3.452 20 0 EGADLP O=C(CC[NH2+]CCc1cn2c([nH+]1)CCCC2)Nc1ccc(Cl)cc1 ZINC000567677795 459143476 /nfs/dbraw/zinc/14/34/76/459143476.db2.gz AIROEDWQCNUYHH-UHFFFAOYSA-N 2 2 346.862 3.034 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000558389731 459152962 /nfs/dbraw/zinc/15/29/62/459152962.db2.gz YQILFKVOILGXCJ-RXVVDRJESA-N 2 2 326.484 3.354 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000558389731 459152968 /nfs/dbraw/zinc/15/29/68/459152968.db2.gz YQILFKVOILGXCJ-RXVVDRJESA-N 2 2 326.484 3.354 20 0 EGADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000558418173 459156533 /nfs/dbraw/zinc/15/65/33/459156533.db2.gz QWWDQCTXUJWVBJ-GOSISDBHSA-N 2 2 337.458 3.448 20 0 EGADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000558418173 459156539 /nfs/dbraw/zinc/15/65/39/459156539.db2.gz QWWDQCTXUJWVBJ-GOSISDBHSA-N 2 2 337.458 3.448 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)cc1OC ZINC000578202285 459161248 /nfs/dbraw/zinc/16/12/48/459161248.db2.gz AUFRKZCNKGCHFR-TZMCWYRMSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)cc1OC ZINC000578202285 459161252 /nfs/dbraw/zinc/16/12/52/459161252.db2.gz AUFRKZCNKGCHFR-TZMCWYRMSA-N 2 2 347.484 3.139 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000533039016 459179281 /nfs/dbraw/zinc/17/92/81/459179281.db2.gz IKWHOLACKYPQRK-OAHLLOKOSA-N 2 2 335.455 3.273 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000533039016 459179285 /nfs/dbraw/zinc/17/92/85/459179285.db2.gz IKWHOLACKYPQRK-OAHLLOKOSA-N 2 2 335.455 3.273 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2ccc(C)nc2)[C@H]2CCC[NH2+]2)cc1 ZINC000578314065 459180052 /nfs/dbraw/zinc/18/00/52/459180052.db2.gz XBBOFXFTVICYEV-WOJBJXKFSA-N 2 2 325.456 3.024 20 0 EGADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123008 459193262 /nfs/dbraw/zinc/19/32/62/459193262.db2.gz ARZOPODJKQDGBR-MJGOQNOKSA-N 2 2 333.439 3.124 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+](C)C ZINC000480648199 459210758 /nfs/dbraw/zinc/21/07/58/459210758.db2.gz MXOOFODJUBXCHG-NRSPTQNISA-N 2 2 347.547 3.014 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169203 459237768 /nfs/dbraw/zinc/23/77/68/459237768.db2.gz DIKFTEWCFVMTFH-CXAGYDPISA-N 2 2 336.526 3.070 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169203 459237773 /nfs/dbraw/zinc/23/77/73/459237773.db2.gz DIKFTEWCFVMTFH-CXAGYDPISA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169203 459237776 /nfs/dbraw/zinc/23/77/76/459237776.db2.gz DIKFTEWCFVMTFH-CXAGYDPISA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169203 459237780 /nfs/dbraw/zinc/23/77/80/459237780.db2.gz DIKFTEWCFVMTFH-CXAGYDPISA-N 2 2 336.526 3.070 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000595296209 459271225 /nfs/dbraw/zinc/27/12/25/459271225.db2.gz XVEIGIVFLYDOOS-KRWDZBQOSA-N 2 2 338.879 3.218 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000496649772 459272970 /nfs/dbraw/zinc/27/29/70/459272970.db2.gz LJMJIVDKIYUVGG-MWDXBVQZSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1I ZINC000481948834 459283089 /nfs/dbraw/zinc/28/30/89/459283089.db2.gz BPQUWIIRMYQXHV-RYUDHWBXSA-N 2 2 346.256 3.282 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000559898778 459283810 /nfs/dbraw/zinc/28/38/10/459283810.db2.gz GCCGFIAAURUASY-NBCNXNJRSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000559898778 459283815 /nfs/dbraw/zinc/28/38/15/459283815.db2.gz GCCGFIAAURUASY-NBCNXNJRSA-N 2 2 336.479 3.244 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000482152857 459293635 /nfs/dbraw/zinc/29/36/35/459293635.db2.gz YNFGQGGYJIHDMU-FCHUYYIVSA-N 2 2 340.511 3.336 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000482152857 459293639 /nfs/dbraw/zinc/29/36/39/459293639.db2.gz YNFGQGGYJIHDMU-FCHUYYIVSA-N 2 2 340.511 3.336 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000482206419 459295998 /nfs/dbraw/zinc/29/59/98/459295998.db2.gz FGNFMHCUJNXSSK-WMLDXEAASA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000482206419 459296002 /nfs/dbraw/zinc/29/60/02/459296002.db2.gz FGNFMHCUJNXSSK-WMLDXEAASA-N 2 2 342.439 3.306 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000582056690 459299965 /nfs/dbraw/zinc/29/99/65/459299965.db2.gz VUHLZSVIGNHUGQ-LIRRHRJNSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082616 459310849 /nfs/dbraw/zinc/31/08/49/459310849.db2.gz SAXVONCDSKEQGT-KGLIPLIRSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082616 459310851 /nfs/dbraw/zinc/31/08/51/459310851.db2.gz SAXVONCDSKEQGT-KGLIPLIRSA-N 2 2 332.835 3.201 20 0 EGADLP Cc1cc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)c[nH+]1 ZINC000534326461 459314169 /nfs/dbraw/zinc/31/41/69/459314169.db2.gz SCRRWBMFCXRQAQ-QGZVFWFLSA-N 2 2 340.471 3.152 20 0 EGADLP Cc1cc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)c[nH+]1 ZINC000534326461 459314176 /nfs/dbraw/zinc/31/41/76/459314176.db2.gz SCRRWBMFCXRQAQ-QGZVFWFLSA-N 2 2 340.471 3.152 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772938 459318504 /nfs/dbraw/zinc/31/85/04/459318504.db2.gz GVXSUUCMSVNTQJ-JKSUJKDBSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772938 459318506 /nfs/dbraw/zinc/31/85/06/459318506.db2.gz GVXSUUCMSVNTQJ-JKSUJKDBSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000582181813 459322129 /nfs/dbraw/zinc/32/21/29/459322129.db2.gz SIFXZAIOKXBMLW-TZMCWYRMSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000582181813 459322135 /nfs/dbraw/zinc/32/21/35/459322135.db2.gz SIFXZAIOKXBMLW-TZMCWYRMSA-N 2 2 334.851 3.046 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000560338528 459325812 /nfs/dbraw/zinc/32/58/12/459325812.db2.gz FINKLNZBXUMTMA-FUHWJXTLSA-N 2 2 328.460 3.034 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000568991014 459377650 /nfs/dbraw/zinc/37/76/50/459377650.db2.gz JENAGOCRPNMMGD-QGZVFWFLSA-N 2 2 325.456 3.125 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000568991014 459377656 /nfs/dbraw/zinc/37/76/56/459377656.db2.gz JENAGOCRPNMMGD-QGZVFWFLSA-N 2 2 325.456 3.125 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2o1 ZINC000591447009 459382891 /nfs/dbraw/zinc/38/28/91/459382891.db2.gz WKFGDLKIEUEGKO-IAGOWNOFSA-N 2 2 342.439 3.326 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2o1 ZINC000591447009 459382897 /nfs/dbraw/zinc/38/28/97/459382897.db2.gz WKFGDLKIEUEGKO-IAGOWNOFSA-N 2 2 342.439 3.326 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000582693389 459409953 /nfs/dbraw/zinc/40/99/53/459409953.db2.gz YJLYPSOBGAYOEO-HNNXBMFYSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000582693389 459409958 /nfs/dbraw/zinc/40/99/58/459409958.db2.gz YJLYPSOBGAYOEO-HNNXBMFYSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779651 459426482 /nfs/dbraw/zinc/42/64/82/459426482.db2.gz JNFBXOOTNKDBKI-GVDBMIGSSA-N 2 2 343.450 3.011 20 0 EGADLP Fc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000582779651 459426484 /nfs/dbraw/zinc/42/64/84/459426484.db2.gz JNFBXOOTNKDBKI-GVDBMIGSSA-N 2 2 343.450 3.011 20 0 EGADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ncccc1F)c1ccccc1O2 ZINC000561250402 459436437 /nfs/dbraw/zinc/43/64/37/459436437.db2.gz LVVSCMKVZVZPBX-QGZVFWFLSA-N 2 2 341.430 3.299 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000561291848 459439987 /nfs/dbraw/zinc/43/99/87/459439987.db2.gz HENQTXVFYQJHRX-SJBKTWHCSA-N 2 2 343.559 3.213 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000561291848 459439995 /nfs/dbraw/zinc/43/99/95/459439995.db2.gz HENQTXVFYQJHRX-SJBKTWHCSA-N 2 2 343.559 3.213 20 0 EGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582858501 459440540 /nfs/dbraw/zinc/44/05/40/459440540.db2.gz GUZSNGBEZLMJSR-DNVCBOLYSA-N 2 2 336.907 3.445 20 0 EGADLP CCOC(=O)N1CCC([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000497118469 459447739 /nfs/dbraw/zinc/44/77/39/459447739.db2.gz HWJFREHVGNPVLJ-GOSISDBHSA-N 2 2 333.476 3.020 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867038 459457728 /nfs/dbraw/zinc/45/77/28/459457728.db2.gz MHAFQBNTCFXMOR-WBVHZDCISA-N 2 2 326.444 3.110 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867038 459457732 /nfs/dbraw/zinc/45/77/32/459457732.db2.gz MHAFQBNTCFXMOR-WBVHZDCISA-N 2 2 326.444 3.110 20 0 EGADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+](C)CCN3C)cc2)c1 ZINC000525708607 459480525 /nfs/dbraw/zinc/48/05/25/459480525.db2.gz DRRXYRLSWDUFSO-JOCHJYFZSA-N 2 2 337.511 3.306 20 0 EGADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+](C)CCN3C)cc2)c1 ZINC000525708607 459480529 /nfs/dbraw/zinc/48/05/29/459480529.db2.gz DRRXYRLSWDUFSO-JOCHJYFZSA-N 2 2 337.511 3.306 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC000595913161 459484341 /nfs/dbraw/zinc/48/43/41/459484341.db2.gz CGXYARSDCBSGGR-GOSISDBHSA-N 2 2 341.455 3.133 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC000595913161 459484347 /nfs/dbraw/zinc/48/43/47/459484347.db2.gz CGXYARSDCBSGGR-GOSISDBHSA-N 2 2 341.455 3.133 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000486673798 459513486 /nfs/dbraw/zinc/51/34/86/459513486.db2.gz ODQITRIXUMCREX-CRAIPNDOSA-N 2 2 340.471 3.486 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000486673798 459513489 /nfs/dbraw/zinc/51/34/89/459513489.db2.gz ODQITRIXUMCREX-CRAIPNDOSA-N 2 2 340.471 3.486 20 0 EGADLP C[C@H]1CCCC[C@@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000542312101 459546673 /nfs/dbraw/zinc/54/66/73/459546673.db2.gz RBMHYKHMYIEERZ-DLBZAZTESA-N 2 2 330.520 3.272 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000498819983 459606427 /nfs/dbraw/zinc/60/64/27/459606427.db2.gz WGEDXQZWPIKWFR-IBGZPJMESA-N 2 2 349.563 3.221 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000498819983 459606433 /nfs/dbraw/zinc/60/64/33/459606433.db2.gz WGEDXQZWPIKWFR-IBGZPJMESA-N 2 2 349.563 3.221 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCc3cccs3)c2cc1C ZINC000583867089 459609600 /nfs/dbraw/zinc/60/96/00/459609600.db2.gz RLYCJAOUMRQHRZ-MRXNPFEDSA-N 2 2 343.496 3.298 20 0 EGADLP c1ccc(-c2noc(CC[NH+]3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000562700325 459625026 /nfs/dbraw/zinc/62/50/26/459625026.db2.gz HDUPMHVYYAWWTH-UHFFFAOYSA-N 2 2 349.438 3.251 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)[N@H+](Cc2ccccc2)C1 ZINC000527523719 459654165 /nfs/dbraw/zinc/65/41/65/459654165.db2.gz SAKNDWSNQXVUSP-RTBURBONSA-N 2 2 346.421 3.349 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527639409 459680728 /nfs/dbraw/zinc/68/07/28/459680728.db2.gz CJJPRKFRSUSIOB-SNVBAGLBSA-N 2 2 333.220 3.159 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527639409 459680722 /nfs/dbraw/zinc/68/07/22/459680722.db2.gz CJJPRKFRSUSIOB-SNVBAGLBSA-N 2 2 333.220 3.159 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1I ZINC000596648652 459714089 /nfs/dbraw/zinc/71/40/89/459714089.db2.gz UQXLBXZTBZOECJ-LLVKDONJSA-N 2 2 344.240 3.213 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764978 459729187 /nfs/dbraw/zinc/72/91/87/459729187.db2.gz WRAYGMKMUIUWAQ-OXJNMPFZSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764978 459729194 /nfs/dbraw/zinc/72/91/94/459729194.db2.gz WRAYGMKMUIUWAQ-OXJNMPFZSA-N 2 2 334.467 3.498 20 0 EGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])c3cscn3)c2C1 ZINC000573850547 459745505 /nfs/dbraw/zinc/74/55/05/459745505.db2.gz SMABFOITIMFWQD-QGZVFWFLSA-N 2 2 344.484 3.143 20 0 EGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])c3cscn3)c2C1 ZINC000573850547 459745509 /nfs/dbraw/zinc/74/55/09/459745509.db2.gz SMABFOITIMFWQD-QGZVFWFLSA-N 2 2 344.484 3.143 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253582 459748711 /nfs/dbraw/zinc/74/87/11/459748711.db2.gz XBWUUZJKIZGCRW-BBRMVZONSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253582 459748716 /nfs/dbraw/zinc/74/87/16/459748716.db2.gz XBWUUZJKIZGCRW-BBRMVZONSA-N 2 2 333.407 3.123 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360880 459751629 /nfs/dbraw/zinc/75/16/29/459751629.db2.gz UXQWWDJWUXSMLZ-AUUYWEPGSA-N 2 2 331.410 3.381 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360880 459751634 /nfs/dbraw/zinc/75/16/34/459751634.db2.gz UXQWWDJWUXSMLZ-AUUYWEPGSA-N 2 2 331.410 3.381 20 0 EGADLP C[C@@H]1CN(c2ccc(CNc3[nH+]ccc4ccccc43)c[nH+]2)CCO1 ZINC000527846652 459757491 /nfs/dbraw/zinc/75/74/91/459757491.db2.gz FSBNSEYGJNTDLH-OAHLLOKOSA-N 2 2 334.423 3.467 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977195 459787139 /nfs/dbraw/zinc/78/71/39/459787139.db2.gz CONRRHBFEBOHQY-YMTOWFKASA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977195 459787145 /nfs/dbraw/zinc/78/71/45/459787145.db2.gz CONRRHBFEBOHQY-YMTOWFKASA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3Cc4ccccc4NC3=O)CC2)C1 ZINC000528001300 459792757 /nfs/dbraw/zinc/79/27/57/459792757.db2.gz OYQGGZQYJUZNKB-ZTNFWEORSA-N 2 2 341.499 3.183 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000566118507 459809731 /nfs/dbraw/zinc/80/97/31/459809731.db2.gz WKJGNVRQNMETLG-INIZCTEOSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000566118507 459809736 /nfs/dbraw/zinc/80/97/36/459809736.db2.gz WKJGNVRQNMETLG-INIZCTEOSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@@H](CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000566331284 459844005 /nfs/dbraw/zinc/84/40/05/459844005.db2.gz PSEVNMAXMUNLNM-ROUUACIJSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000566331284 459844011 /nfs/dbraw/zinc/84/40/11/459844011.db2.gz PSEVNMAXMUNLNM-ROUUACIJSA-N 2 2 346.519 3.337 20 0 EGADLP c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000574628507 459844652 /nfs/dbraw/zinc/84/46/52/459844652.db2.gz SAOIFAGDTFRYDS-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000574628507 459844659 /nfs/dbraw/zinc/84/46/59/459844659.db2.gz SAOIFAGDTFRYDS-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP CCN(CC)c1ccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c[nH+]1 ZINC000546016177 459887411 /nfs/dbraw/zinc/88/74/11/459887411.db2.gz LSKUVAYNGVXWHP-UHFFFAOYSA-N 2 2 346.519 3.199 20 0 EGADLP CCN(CC)c1ccc(CNC(=O)CC[N@@H+](C)C2CCCCC2)c[nH+]1 ZINC000546016177 459887416 /nfs/dbraw/zinc/88/74/16/459887416.db2.gz LSKUVAYNGVXWHP-UHFFFAOYSA-N 2 2 346.519 3.199 20 0 EGADLP COCC[NH2+]C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000575926608 460033996 /nfs/dbraw/zinc/03/39/96/460033996.db2.gz DASBVIAGZGCBRC-UHFFFAOYSA-N 2 2 337.514 3.072 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000625221908 460077933 /nfs/dbraw/zinc/07/79/33/460077933.db2.gz MGCVNAZGGAIMII-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000625221908 460077935 /nfs/dbraw/zinc/07/79/35/460077935.db2.gz MGCVNAZGGAIMII-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221908 460077940 /nfs/dbraw/zinc/07/79/40/460077940.db2.gz MGCVNAZGGAIMII-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221908 460077944 /nfs/dbraw/zinc/07/79/44/460077944.db2.gz MGCVNAZGGAIMII-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3cnc4ccccc4n3)CC2)cc1 ZINC000614385631 460124175 /nfs/dbraw/zinc/12/41/75/460124175.db2.gz HTQOKXOZYYRYIR-UHFFFAOYSA-N 2 2 346.478 3.427 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000576628183 460180440 /nfs/dbraw/zinc/18/04/40/460180440.db2.gz QJIOMYOQLZVUHG-LBPRGKRZSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000576628183 460180448 /nfs/dbraw/zinc/18/04/48/460180448.db2.gz QJIOMYOQLZVUHG-LBPRGKRZSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000599309041 460224122 /nfs/dbraw/zinc/22/41/22/460224122.db2.gz MLGRQKNUEMROOA-MAUKXSAKSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000599309041 460224130 /nfs/dbraw/zinc/22/41/30/460224130.db2.gz MLGRQKNUEMROOA-MAUKXSAKSA-N 2 2 349.906 3.030 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310259 460224466 /nfs/dbraw/zinc/22/44/66/460224466.db2.gz RUTQMOURFLFWJM-ZWKOTPCHSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310259 460224470 /nfs/dbraw/zinc/22/44/70/460224470.db2.gz RUTQMOURFLFWJM-ZWKOTPCHSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310257 460224839 /nfs/dbraw/zinc/22/48/39/460224839.db2.gz RUTQMOURFLFWJM-QZTJIDSGSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310257 460224844 /nfs/dbraw/zinc/22/48/44/460224844.db2.gz RUTQMOURFLFWJM-QZTJIDSGSA-N 2 2 349.906 3.077 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000622398116 460258467 /nfs/dbraw/zinc/25/84/67/460258467.db2.gz AVCAUKIMCHMMCI-FQEVSTJZSA-N 2 2 348.450 3.100 20 0 EGADLP COc1cccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000626024038 460342513 /nfs/dbraw/zinc/34/25/13/460342513.db2.gz YYFHYRKJXJXOGQ-UHFFFAOYSA-N 2 2 338.451 3.043 20 0 EGADLP COc1cccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000626024038 460342518 /nfs/dbraw/zinc/34/25/18/460342518.db2.gz YYFHYRKJXJXOGQ-UHFFFAOYSA-N 2 2 338.451 3.043 20 0 EGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631526581 460426186 /nfs/dbraw/zinc/42/61/86/460426186.db2.gz NZWHXISXYUNTNS-KRWDZBQOSA-N 2 2 326.444 3.023 20 0 EGADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631526581 460426192 /nfs/dbraw/zinc/42/61/92/460426192.db2.gz NZWHXISXYUNTNS-KRWDZBQOSA-N 2 2 326.444 3.023 20 0 EGADLP CC(C)[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)C(F)(F)F ZINC000631714046 460527501 /nfs/dbraw/zinc/52/75/01/460527501.db2.gz COKVIVPQUQHFCG-KCXAZCMYSA-N 2 2 341.377 3.471 20 0 EGADLP Cc1cccn2cc(CN3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)[nH+]c12 ZINC000605150456 460545191 /nfs/dbraw/zinc/54/51/91/460545191.db2.gz QQFPMCKJDVJNKM-ZIFCJYIRSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1cccn2cc(CN3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)[nH+]c12 ZINC000605150456 460545196 /nfs/dbraw/zinc/54/51/96/460545196.db2.gz QQFPMCKJDVJNKM-ZIFCJYIRSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1csc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000623885546 460761186 /nfs/dbraw/zinc/76/11/86/460761186.db2.gz AXYFSPVOLXKEOB-FUHWJXTLSA-N 2 2 344.528 3.091 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000623898028 460767549 /nfs/dbraw/zinc/76/75/49/460767549.db2.gz XNRIMCHJAPDISF-STQMWFEESA-N 2 2 348.384 3.463 20 0 EGADLP O[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000629557402 460807920 /nfs/dbraw/zinc/80/79/20/460807920.db2.gz LERVKWZHHQEVDQ-UXHICEINSA-N 2 2 344.886 3.476 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000629560701 460809688 /nfs/dbraw/zinc/80/96/88/460809688.db2.gz MXWBQGSFWIOVFF-RYUDHWBXSA-N 2 2 336.785 3.308 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000629560701 460809695 /nfs/dbraw/zinc/80/96/95/460809695.db2.gz MXWBQGSFWIOVFF-RYUDHWBXSA-N 2 2 336.785 3.308 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000629562444 460810964 /nfs/dbraw/zinc/81/09/64/460810964.db2.gz NPHBJBZLBBSSNG-RYUDHWBXSA-N 2 2 338.320 3.247 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@@H]1C(F)(F)F ZINC000629562444 460810975 /nfs/dbraw/zinc/81/09/75/460810975.db2.gz NPHBJBZLBBSSNG-RYUDHWBXSA-N 2 2 338.320 3.247 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1C(F)(F)F ZINC000629652705 460846790 /nfs/dbraw/zinc/84/67/90/460846790.db2.gz AOMTVMCKOSXUQK-DGCLKSJQSA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1C(F)(F)F ZINC000629652705 460846797 /nfs/dbraw/zinc/84/67/97/460846797.db2.gz AOMTVMCKOSXUQK-DGCLKSJQSA-N 2 2 344.406 3.097 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628230351 461054850 /nfs/dbraw/zinc/05/48/50/461054850.db2.gz DGXFZGXTSXAHLG-AWEZNQCLSA-N 2 2 326.444 3.262 20 0 EGADLP C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242595 461060476 /nfs/dbraw/zinc/06/04/76/461060476.db2.gz LCFVIXKPMQFXMH-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242595 461060482 /nfs/dbraw/zinc/06/04/82/461060482.db2.gz LCFVIXKPMQFXMH-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2cc[nH]c2c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628242595 461060486 /nfs/dbraw/zinc/06/04/86/461060486.db2.gz LCFVIXKPMQFXMH-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2cc[nH]c2c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000628242595 461060493 /nfs/dbraw/zinc/06/04/93/461060493.db2.gz LCFVIXKPMQFXMH-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000636310453 461094565 /nfs/dbraw/zinc/09/45/65/461094565.db2.gz MTVGIXKNVNWKRF-UHFFFAOYSA-N 2 2 340.471 3.123 20 0 EGADLP OCCCCOc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000637890572 461104870 /nfs/dbraw/zinc/10/48/70/461104870.db2.gz UTNRLBMKVWIJDP-UHFFFAOYSA-N 2 2 346.515 3.288 20 0 EGADLP Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)[nH+]1 ZINC000658999357 461130458 /nfs/dbraw/zinc/13/04/58/461130458.db2.gz ARAARPIBLCESDU-SJLPKXTDSA-N 2 2 342.418 3.105 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000652341198 461140001 /nfs/dbraw/zinc/14/00/01/461140001.db2.gz PWJKSJCDVQOPMY-GQIGUUNPSA-N 2 2 325.456 3.137 20 0 EGADLP CCc1nc([C@H]2CCCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662253006 461145192 /nfs/dbraw/zinc/14/51/92/461145192.db2.gz FXWAUWUVAADVIU-QGZVFWFLSA-N 2 2 326.444 3.005 20 0 EGADLP CCc1nc([C@H]2CCCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662253006 461145203 /nfs/dbraw/zinc/14/52/03/461145203.db2.gz FXWAUWUVAADVIU-QGZVFWFLSA-N 2 2 326.444 3.005 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000637955193 461150687 /nfs/dbraw/zinc/15/06/87/461150687.db2.gz FQBQHPXHZXGAHB-UHFFFAOYSA-N 2 2 326.868 3.360 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000637955193 461150698 /nfs/dbraw/zinc/15/06/98/461150698.db2.gz FQBQHPXHZXGAHB-UHFFFAOYSA-N 2 2 326.868 3.360 20 0 EGADLP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)CC(C)(C)[NH3+] ZINC000662295767 461175670 /nfs/dbraw/zinc/17/56/70/461175670.db2.gz SWTPLQDMSITCFM-UHFFFAOYSA-N 2 2 349.276 3.075 20 0 EGADLP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)CC(C)(C)[NH3+] ZINC000662295767 461175679 /nfs/dbraw/zinc/17/56/79/461175679.db2.gz SWTPLQDMSITCFM-UHFFFAOYSA-N 2 2 349.276 3.075 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185072 /nfs/dbraw/zinc/18/50/72/461185072.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185078 /nfs/dbraw/zinc/18/50/78/461185078.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185081 /nfs/dbraw/zinc/18/50/81/461185081.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649571220 461185086 /nfs/dbraw/zinc/18/50/86/461185086.db2.gz COWOTNQKZTWQIF-FQEVSTJZSA-N 3 2 327.516 3.069 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022078 461202123 /nfs/dbraw/zinc/20/21/23/461202123.db2.gz HBWQCXRFYOOONL-IEBWSBKVSA-N 2 2 330.520 3.459 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022078 461202130 /nfs/dbraw/zinc/20/21/30/461202130.db2.gz HBWQCXRFYOOONL-IEBWSBKVSA-N 2 2 330.520 3.459 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000638058765 461220138 /nfs/dbraw/zinc/22/01/38/461220138.db2.gz XEJSTTODVDRHFP-LHFJYWTJSA-N 2 2 341.543 3.337 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000638058765 461220146 /nfs/dbraw/zinc/22/01/46/461220146.db2.gz XEJSTTODVDRHFP-LHFJYWTJSA-N 2 2 341.543 3.337 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000638058769 461221366 /nfs/dbraw/zinc/22/13/66/461221366.db2.gz XEJSTTODVDRHFP-PVHVJQTOSA-N 2 2 341.543 3.337 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000638058769 461221372 /nfs/dbraw/zinc/22/13/72/461221372.db2.gz XEJSTTODVDRHFP-PVHVJQTOSA-N 2 2 341.543 3.337 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH+]1CCC(c3c[nH]c[nH+]3)CC1)CC2 ZINC000638086722 461232032 /nfs/dbraw/zinc/23/20/32/461232032.db2.gz VCVGCRBXBGNZEO-QGZVFWFLSA-N 2 2 327.428 3.294 20 0 EGADLP C[N@@H+]1CC[C@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000641469921 461259504 /nfs/dbraw/zinc/25/95/04/461259504.db2.gz UPRUHZKYWRPGTO-RDTXWAMCSA-N 2 2 349.837 3.471 20 0 EGADLP C[N@H+]1CC[C@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000641469921 461259509 /nfs/dbraw/zinc/25/95/09/461259509.db2.gz UPRUHZKYWRPGTO-RDTXWAMCSA-N 2 2 349.837 3.471 20 0 EGADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000662509295 461275601 /nfs/dbraw/zinc/27/56/01/461275601.db2.gz LPZMVTJVOSPPFP-ZDUSSCGKSA-N 2 2 328.460 3.400 20 0 EGADLP CC(C)c1cc(NC2CC[NH+](C3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000641656521 461307212 /nfs/dbraw/zinc/30/72/12/461307212.db2.gz HYHUDQAPRCBDJT-UHFFFAOYSA-N 2 2 346.519 3.201 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000641728377 461338766 /nfs/dbraw/zinc/33/87/66/461338766.db2.gz QZPJCFLAHDICRV-GOEBONIOSA-N 2 2 326.506 3.228 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000641728377 461338774 /nfs/dbraw/zinc/33/87/74/461338774.db2.gz QZPJCFLAHDICRV-GOEBONIOSA-N 2 2 326.506 3.228 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655689022 461364279 /nfs/dbraw/zinc/36/42/79/461364279.db2.gz CZHHBDQWRDHJDI-PZJWPPBQSA-N 2 2 337.467 3.014 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cs2)c1OC ZINC000641801204 461381332 /nfs/dbraw/zinc/38/13/32/461381332.db2.gz AZIIRRZELFRQGC-LSDHHAIUSA-N 2 2 347.484 3.043 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000655716809 461385151 /nfs/dbraw/zinc/38/51/51/461385151.db2.gz PCYATPBLZSLSTA-ZDUSSCGKSA-N 2 2 329.835 3.209 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360637 461385572 /nfs/dbraw/zinc/38/55/72/461385572.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360637 461385582 /nfs/dbraw/zinc/38/55/82/461385582.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360637 461385591 /nfs/dbraw/zinc/38/55/91/461385591.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360637 461385597 /nfs/dbraw/zinc/38/55/97/461385597.db2.gz XQMQOVCSRINWDI-LZNRXBQRSA-N 3 2 339.527 3.428 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638382543 461398377 /nfs/dbraw/zinc/39/83/77/461398377.db2.gz XHAYOKDCKOVQRW-LLVKDONJSA-N 2 2 338.249 3.022 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638382543 461398388 /nfs/dbraw/zinc/39/83/88/461398388.db2.gz XHAYOKDCKOVQRW-LLVKDONJSA-N 2 2 338.249 3.022 20 0 EGADLP Brc1ccc2oc(C[NH2+]CCCCn3cc[nH+]c3)nc2c1 ZINC000638405166 461411806 /nfs/dbraw/zinc/41/18/06/461411806.db2.gz WGJOLVWVKJAQBC-UHFFFAOYSA-N 2 2 349.232 3.357 20 0 EGADLP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655757845 461424284 /nfs/dbraw/zinc/42/42/84/461424284.db2.gz YKQOXCGCXGOMMK-AEFFLSMTSA-N 2 2 334.529 3.319 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638484301 461449339 /nfs/dbraw/zinc/44/93/39/461449339.db2.gz WOFCPVLUQTUIOG-UHFFFAOYSA-N 2 2 349.425 3.104 20 0 EGADLP CC(C)=CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659864147 461466334 /nfs/dbraw/zinc/46/63/34/461466334.db2.gz JTFOVXAELQCBEH-FQEVSTJZSA-N 2 2 342.531 3.272 20 0 EGADLP CC(C)=CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659864147 461466342 /nfs/dbraw/zinc/46/63/42/461466342.db2.gz JTFOVXAELQCBEH-FQEVSTJZSA-N 2 2 342.531 3.272 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000653081156 461492667 /nfs/dbraw/zinc/49/26/67/461492667.db2.gz DNLYUHIERIHRDO-QGZVFWFLSA-N 2 2 347.846 3.350 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655849701 461495800 /nfs/dbraw/zinc/49/58/00/461495800.db2.gz YFESLIQABJFAEN-CVEARBPZSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849701 461495808 /nfs/dbraw/zinc/49/58/08/461495808.db2.gz YFESLIQABJFAEN-CVEARBPZSA-N 2 2 333.442 3.010 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000655850300 461498604 /nfs/dbraw/zinc/49/86/04/461498604.db2.gz UIDNJOOBWNJXSO-FGZHOGPDSA-N 2 2 341.543 3.300 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631049266 461501841 /nfs/dbraw/zinc/50/18/41/461501841.db2.gz HPANNRSYGORURE-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631049266 461501852 /nfs/dbraw/zinc/50/18/52/461501852.db2.gz HPANNRSYGORURE-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CC(C)[NH+](CCC[NH2+]Cc1ccncc1Br)C(C)C ZINC000631081735 461532801 /nfs/dbraw/zinc/53/28/01/461532801.db2.gz ADEOAGDKCNLOMV-UHFFFAOYSA-N 2 2 328.298 3.443 20 0 EGADLP COc1cc(Cl)c(C[NH2+]CCCNc2cccc[nH+]2)cc1OC ZINC000631085204 461535021 /nfs/dbraw/zinc/53/50/21/461535021.db2.gz CTIJASGYPRVJBG-UHFFFAOYSA-N 2 2 335.835 3.344 20 0 EGADLP C[C@@]1(NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000650046804 461537205 /nfs/dbraw/zinc/53/72/05/461537205.db2.gz QFYIWADQLIJNBA-HXUWFJFHSA-N 2 2 349.438 3.120 20 0 EGADLP C[C@@]1(NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000650046804 461537212 /nfs/dbraw/zinc/53/72/12/461537212.db2.gz QFYIWADQLIJNBA-HXUWFJFHSA-N 2 2 349.438 3.120 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000663361608 461589043 /nfs/dbraw/zinc/58/90/43/461589043.db2.gz PZLSICWKLLQKQR-DYESRHJHSA-N 2 2 339.483 3.321 20 0 EGADLP C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000663361611 461589774 /nfs/dbraw/zinc/58/97/74/461589774.db2.gz PZLSICWKLLQKQR-UWJYYQICSA-N 2 2 339.483 3.321 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660129614 461602340 /nfs/dbraw/zinc/60/23/40/461602340.db2.gz SETBFGPBKLSXIU-NSHDSACASA-N 2 2 325.334 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660129614 461602349 /nfs/dbraw/zinc/60/23/49/461602349.db2.gz SETBFGPBKLSXIU-NSHDSACASA-N 2 2 325.334 3.150 20 0 EGADLP c1ccc(C(OCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc2)cc1 ZINC000643069872 461603736 /nfs/dbraw/zinc/60/37/36/461603736.db2.gz YSELERLIZILBEZ-RXVVDRJESA-N 2 2 336.479 3.476 20 0 EGADLP c1ccc(C(OCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c2ccccc2)cc1 ZINC000643069872 461603742 /nfs/dbraw/zinc/60/37/42/461603742.db2.gz YSELERLIZILBEZ-RXVVDRJESA-N 2 2 336.479 3.476 20 0 EGADLP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660158988 461611277 /nfs/dbraw/zinc/61/12/77/461611277.db2.gz YQOXBQOLZQQUJY-SYYKKAFVSA-N 2 2 341.543 3.064 20 0 EGADLP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660158988 461611287 /nfs/dbraw/zinc/61/12/87/461611287.db2.gz YQOXBQOLZQQUJY-SYYKKAFVSA-N 2 2 341.543 3.064 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000653297940 461618320 /nfs/dbraw/zinc/61/83/20/461618320.db2.gz JWXJTBNFFWHUDB-RDJZCZTQSA-N 2 2 325.456 3.004 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000653297940 461618322 /nfs/dbraw/zinc/61/83/22/461618322.db2.gz JWXJTBNFFWHUDB-RDJZCZTQSA-N 2 2 325.456 3.004 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638860533 461623828 /nfs/dbraw/zinc/62/38/28/461623828.db2.gz ZBDQHTQNGRKQJN-JSFADZTLSA-N 2 2 343.515 3.247 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638860533 461623835 /nfs/dbraw/zinc/62/38/35/461623835.db2.gz ZBDQHTQNGRKQJN-JSFADZTLSA-N 2 2 343.515 3.247 20 0 EGADLP Cc1c[nH]c(CN[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000631189871 461627597 /nfs/dbraw/zinc/62/75/97/461627597.db2.gz DJOUVGWWJLVILE-AWEZNQCLSA-N 2 2 326.366 3.129 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000660197740 461631080 /nfs/dbraw/zinc/63/10/80/461631080.db2.gz OVCTYNDTCSTWRO-PZJWPPBQSA-N 2 2 342.483 3.097 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000660197740 461631087 /nfs/dbraw/zinc/63/10/87/461631087.db2.gz OVCTYNDTCSTWRO-PZJWPPBQSA-N 2 2 342.483 3.097 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2ncc(C)cc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000656201775 461646504 /nfs/dbraw/zinc/64/65/04/461646504.db2.gz YWJOUSPDDMVBCU-LEWJYISDSA-N 2 2 339.483 3.332 20 0 EGADLP C[NH+]1CCC(n2cc(NCc3c[nH+]c4ccc(Cl)cn34)cn2)CC1 ZINC000631225209 461656436 /nfs/dbraw/zinc/65/64/36/461656436.db2.gz JEMBJOYELKWACD-UHFFFAOYSA-N 2 2 344.850 3.063 20 0 EGADLP Cc1cc(Cl)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1C ZINC000638984752 461670058 /nfs/dbraw/zinc/67/00/58/461670058.db2.gz QNIUPDXXQHLSPD-UHFFFAOYSA-N 2 2 344.846 3.014 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000643295896 461670882 /nfs/dbraw/zinc/67/08/82/461670882.db2.gz OVHXULOVYNGATM-UHFFFAOYSA-N 2 2 340.515 3.160 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000643295896 461670886 /nfs/dbraw/zinc/67/08/86/461670886.db2.gz OVHXULOVYNGATM-UHFFFAOYSA-N 2 2 340.515 3.160 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000656250659 461674117 /nfs/dbraw/zinc/67/41/17/461674117.db2.gz WWMKUSNCERNAGO-OAHLLOKOSA-N 2 2 339.418 3.423 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000656250659 461674121 /nfs/dbraw/zinc/67/41/21/461674121.db2.gz WWMKUSNCERNAGO-OAHLLOKOSA-N 2 2 339.418 3.423 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000656254440 461675496 /nfs/dbraw/zinc/67/54/96/461675496.db2.gz FTJFPKJEFIGKID-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000656254440 461675504 /nfs/dbraw/zinc/67/55/04/461675504.db2.gz FTJFPKJEFIGKID-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000656254440 461675509 /nfs/dbraw/zinc/67/55/09/461675509.db2.gz FTJFPKJEFIGKID-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000656254440 461675513 /nfs/dbraw/zinc/67/55/13/461675513.db2.gz FTJFPKJEFIGKID-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP CCc1nocc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000660270727 461677552 /nfs/dbraw/zinc/67/75/52/461677552.db2.gz VYAFLWBPZCSTKQ-HZPDHXFCSA-N 2 2 327.472 3.483 20 0 EGADLP COC1([C@@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350330 461700970 /nfs/dbraw/zinc/70/09/70/461700970.db2.gz ITEFLPFISNQXRQ-MJGOQNOKSA-N 2 2 346.515 3.213 20 0 EGADLP COC1([C@@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350330 461700972 /nfs/dbraw/zinc/70/09/72/461700972.db2.gz ITEFLPFISNQXRQ-MJGOQNOKSA-N 2 2 346.515 3.213 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076830 461711081 /nfs/dbraw/zinc/71/10/81/461711081.db2.gz RHSVBOCQAJTBPM-YOEHRIQHSA-N 2 2 339.487 3.485 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2nc(C)cs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643460698 461735413 /nfs/dbraw/zinc/73/54/13/461735413.db2.gz GPPUHMPLHGRZFS-FUHWJXTLSA-N 2 2 331.485 3.086 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCO[C@H]([C@@H](C)[NH3+])C3)ccc21 ZINC000647508508 461740856 /nfs/dbraw/zinc/74/08/56/461740856.db2.gz POTSSRSWKNWNSE-VFNWGFHPSA-N 2 2 337.467 3.362 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@H+]3CCO[C@H]([C@@H](C)[NH3+])C3)ccc21 ZINC000647508508 461740866 /nfs/dbraw/zinc/74/08/66/461740866.db2.gz POTSSRSWKNWNSE-VFNWGFHPSA-N 2 2 337.467 3.362 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643502326 461748470 /nfs/dbraw/zinc/74/84/70/461748470.db2.gz CNSLGLQXZSBNGD-ICSRJNTNSA-N 2 2 325.456 3.106 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502063 461748855 /nfs/dbraw/zinc/74/88/55/461748855.db2.gz WZCCXALWLJQMCG-DZGCQCFKSA-N 2 2 339.277 3.395 20 0 EGADLP [NH3+]C1(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCC1 ZINC000643517843 461751229 /nfs/dbraw/zinc/75/12/29/461751229.db2.gz JGWFVAKZZKCZAI-LSDHHAIUSA-N 2 2 339.277 3.140 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000643521425 461752923 /nfs/dbraw/zinc/75/29/23/461752923.db2.gz HFUUKHPNZYAQIS-WFASDCNBSA-N 2 2 333.867 3.022 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2cccc(Br)c21 ZINC000643537266 461757047 /nfs/dbraw/zinc/75/70/47/461757047.db2.gz CBLYHEFPRNBMOR-YAMSLAJTSA-N 2 2 327.241 3.287 20 0 EGADLP C[C@H]1C[NH+](CCCCNc2[nH+]ccc3c(N)cccc32)C[C@H](C)O1 ZINC000663706045 461766117 /nfs/dbraw/zinc/76/61/17/461766117.db2.gz ZKUNMPPDGVCHBP-GJZGRUSLSA-N 2 2 328.460 3.118 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498705 461767773 /nfs/dbraw/zinc/76/77/73/461767773.db2.gz AHABNLNORGWSAS-VBSBHUPXSA-N 2 2 346.540 3.399 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498705 461767781 /nfs/dbraw/zinc/76/77/81/461767781.db2.gz AHABNLNORGWSAS-VBSBHUPXSA-N 2 2 346.540 3.399 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000666767148 461794731 /nfs/dbraw/zinc/79/47/31/461794731.db2.gz XKZHYORXAPHMIR-CQSZACIVSA-N 2 2 326.868 3.369 20 0 EGADLP Fc1ccc(SCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660467339 461796913 /nfs/dbraw/zinc/79/69/13/461796913.db2.gz FPSOPBUORPNGKI-QGZVFWFLSA-N 2 2 338.492 3.105 20 0 EGADLP Fc1ccc(SCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660467339 461796920 /nfs/dbraw/zinc/79/69/20/461796920.db2.gz FPSOPBUORPNGKI-QGZVFWFLSA-N 2 2 338.492 3.105 20 0 EGADLP Clc1ccccc1CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476809 461800215 /nfs/dbraw/zinc/80/02/15/461800215.db2.gz FPDGSMQQGPJYPE-GOSISDBHSA-N 2 2 336.907 3.459 20 0 EGADLP Clc1ccccc1CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476809 461800222 /nfs/dbraw/zinc/80/02/22/461800222.db2.gz FPDGSMQQGPJYPE-GOSISDBHSA-N 2 2 336.907 3.459 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000639222689 461811827 /nfs/dbraw/zinc/81/18/27/461811827.db2.gz ZRHXPGRANFMQKH-AEFFLSMTSA-N 2 2 339.487 3.386 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000639222689 461811832 /nfs/dbraw/zinc/81/18/32/461811832.db2.gz ZRHXPGRANFMQKH-AEFFLSMTSA-N 2 2 339.487 3.386 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1)[NH+]1CCCCCC1 ZINC000669917033 461837155 /nfs/dbraw/zinc/83/71/55/461837155.db2.gz IUUQYJKUDFUMNE-CRAIPNDOSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1)[NH+]1CCCCCC1 ZINC000669917036 461837913 /nfs/dbraw/zinc/83/79/13/461837913.db2.gz IUUQYJKUDFUMNE-YJBOKZPZSA-N 2 2 349.906 3.077 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691722 461843833 /nfs/dbraw/zinc/84/38/33/461843833.db2.gz FMOSEBBVYDIUET-MNOVXSKESA-N 2 2 337.266 3.484 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691722 461843840 /nfs/dbraw/zinc/84/38/40/461843840.db2.gz FMOSEBBVYDIUET-MNOVXSKESA-N 2 2 337.266 3.484 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000643959601 461845377 /nfs/dbraw/zinc/84/53/77/461845377.db2.gz ABSZSIQBKBFSBU-OAGGEKHMSA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000643959601 461845384 /nfs/dbraw/zinc/84/53/84/461845384.db2.gz ABSZSIQBKBFSBU-OAGGEKHMSA-N 2 2 329.271 3.071 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000647929843 461890843 /nfs/dbraw/zinc/89/08/43/461890843.db2.gz GPCORMGNVLHKRF-ZDUSSCGKSA-N 2 2 339.361 3.307 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000647929843 461890851 /nfs/dbraw/zinc/89/08/51/461890851.db2.gz GPCORMGNVLHKRF-ZDUSSCGKSA-N 2 2 339.361 3.307 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000647937897 461896124 /nfs/dbraw/zinc/89/61/24/461896124.db2.gz DNPGWEFAQYTGAK-JXXFODFXSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000647937897 461896125 /nfs/dbraw/zinc/89/61/25/461896125.db2.gz DNPGWEFAQYTGAK-JXXFODFXSA-N 2 2 339.483 3.076 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cn1 ZINC000656790073 461898899 /nfs/dbraw/zinc/89/88/99/461898899.db2.gz IOMNWINPTHZOLE-QZTJIDSGSA-N 2 2 330.451 3.013 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000656789858 461899947 /nfs/dbraw/zinc/89/99/47/461899947.db2.gz BBRCYCQCEBYQLS-RTBURBONSA-N 2 2 344.430 3.078 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000639388401 461904845 /nfs/dbraw/zinc/90/48/45/461904845.db2.gz YZIIBPRRLPUPPR-JFOHDYCDSA-N 2 2 342.405 3.256 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000639388401 461904853 /nfs/dbraw/zinc/90/48/53/461904853.db2.gz YZIIBPRRLPUPPR-JFOHDYCDSA-N 2 2 342.405 3.256 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653951 461905251 /nfs/dbraw/zinc/90/52/51/461905251.db2.gz DVJWJLUSVQAFBB-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653951 461905258 /nfs/dbraw/zinc/90/52/58/461905258.db2.gz DVJWJLUSVQAFBB-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660653951 461905265 /nfs/dbraw/zinc/90/52/65/461905265.db2.gz DVJWJLUSVQAFBB-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660653951 461905274 /nfs/dbraw/zinc/90/52/74/461905274.db2.gz DVJWJLUSVQAFBB-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657235 461907757 /nfs/dbraw/zinc/90/77/57/461907757.db2.gz WTHYTVOQWAFOAM-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657235 461907763 /nfs/dbraw/zinc/90/77/63/461907763.db2.gz WTHYTVOQWAFOAM-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657235 461907770 /nfs/dbraw/zinc/90/77/70/461907770.db2.gz WTHYTVOQWAFOAM-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657235 461907776 /nfs/dbraw/zinc/90/77/76/461907776.db2.gz WTHYTVOQWAFOAM-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956912 461907801 /nfs/dbraw/zinc/90/78/01/461907801.db2.gz QNTYCEBGSYJPQG-GOEBONIOSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956912 461907807 /nfs/dbraw/zinc/90/78/07/461907807.db2.gz QNTYCEBGSYJPQG-GOEBONIOSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956912 461907813 /nfs/dbraw/zinc/90/78/13/461907813.db2.gz QNTYCEBGSYJPQG-GOEBONIOSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000647956912 461907821 /nfs/dbraw/zinc/90/78/21/461907821.db2.gz QNTYCEBGSYJPQG-GOEBONIOSA-N 2 2 333.501 3.134 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650717906 461909322 /nfs/dbraw/zinc/90/93/22/461909322.db2.gz QJNKVRFPNOHMFE-QRWLVFNGSA-N 3 2 333.495 3.417 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968236 461912152 /nfs/dbraw/zinc/91/21/52/461912152.db2.gz WOUICEDXNCCAQF-FXAWDEMLSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968236 461912154 /nfs/dbraw/zinc/91/21/54/461912154.db2.gz WOUICEDXNCCAQF-FXAWDEMLSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968236 461912159 /nfs/dbraw/zinc/91/21/59/461912159.db2.gz WOUICEDXNCCAQF-FXAWDEMLSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968236 461912161 /nfs/dbraw/zinc/91/21/61/461912161.db2.gz WOUICEDXNCCAQF-FXAWDEMLSA-N 2 2 329.488 3.396 20 0 EGADLP CCCCC[N@@H+]1CC(=O)NC12CCC([NH+](C)Cc1ccccc1)CC2 ZINC000639419882 461915146 /nfs/dbraw/zinc/91/51/46/461915146.db2.gz YLRQVNBTSWCPQR-UHFFFAOYSA-N 2 2 343.515 3.379 20 0 EGADLP CCCCC[N@H+]1CC(=O)NC12CCC([NH+](C)Cc1ccccc1)CC2 ZINC000639419882 461915150 /nfs/dbraw/zinc/91/51/50/461915150.db2.gz YLRQVNBTSWCPQR-UHFFFAOYSA-N 2 2 343.515 3.379 20 0 EGADLP CCCCC[NH+]1CC(=O)NC12CCC([N@H+](C)Cc1ccccc1)CC2 ZINC000639419882 461915157 /nfs/dbraw/zinc/91/51/57/461915157.db2.gz YLRQVNBTSWCPQR-UHFFFAOYSA-N 2 2 343.515 3.379 20 0 EGADLP CCCCC[NH+]1CC(=O)NC12CCC([N@@H+](C)Cc1ccccc1)CC2 ZINC000639419882 461915161 /nfs/dbraw/zinc/91/51/61/461915161.db2.gz YLRQVNBTSWCPQR-UHFFFAOYSA-N 2 2 343.515 3.379 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724695 461916059 /nfs/dbraw/zinc/91/60/59/461916059.db2.gz KPWWMKHIGOICCP-WOPDTQHZSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724695 461916062 /nfs/dbraw/zinc/91/60/62/461916062.db2.gz KPWWMKHIGOICCP-WOPDTQHZSA-N 2 2 349.422 3.023 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672198 461918415 /nfs/dbraw/zinc/91/84/15/461918415.db2.gz AEXYTQGZVGJFSC-PBHICJAKSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672198 461918418 /nfs/dbraw/zinc/91/84/18/461918418.db2.gz AEXYTQGZVGJFSC-PBHICJAKSA-N 2 2 328.859 3.221 20 0 EGADLP O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678449 461920937 /nfs/dbraw/zinc/92/09/37/461920937.db2.gz USUPTZHBTTXNHD-OAQYLSRUSA-N 2 2 349.478 3.194 20 0 EGADLP O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000667099705 461949407 /nfs/dbraw/zinc/94/94/07/461949407.db2.gz TUHVIDBCTTZAMW-HNNXBMFYSA-N 2 2 326.400 3.138 20 0 EGADLP CC[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@@H]1[NH3+] ZINC000667099719 461949422 /nfs/dbraw/zinc/94/94/22/461949422.db2.gz UNUUUFKZWGBZEG-KSSFIOAISA-N 2 2 340.427 3.465 20 0 EGADLP Cc1nc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664173438 461968819 /nfs/dbraw/zinc/96/88/19/461968819.db2.gz FNGNSVCBSMKQIJ-NSHDSACASA-N 2 2 327.270 3.141 20 0 EGADLP Cc1nc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664173438 461968825 /nfs/dbraw/zinc/96/88/25/461968825.db2.gz FNGNSVCBSMKQIJ-NSHDSACASA-N 2 2 327.270 3.141 20 0 EGADLP Cc1noc(CCC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660856852 461997448 /nfs/dbraw/zinc/99/74/48/461997448.db2.gz YHRFPPUYBRMSCU-UHFFFAOYSA-N 2 2 339.443 3.142 20 0 EGADLP CC(C)(C[NH2+]Cc1ccnn1CC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000657296553 462025204 /nfs/dbraw/zinc/02/52/04/462025204.db2.gz ASMJKCWSBVXGGV-UHFFFAOYSA-N 2 2 338.499 3.220 20 0 EGADLP CC(C)(C[NH2+]Cc1ccnn1CC1CC1)[N@H+]1CCc2ccccc2C1 ZINC000657296553 462025210 /nfs/dbraw/zinc/02/52/10/462025210.db2.gz ASMJKCWSBVXGGV-UHFFFAOYSA-N 2 2 338.499 3.220 20 0 EGADLP Cc1c(Br)cncc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000657301790 462030196 /nfs/dbraw/zinc/03/01/96/462030196.db2.gz HBXNXRZGWKXBHT-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP COCc1csc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000657305734 462031693 /nfs/dbraw/zinc/03/16/93/462031693.db2.gz SVVZSPPGHIBMTL-UHFFFAOYSA-N 2 2 327.453 3.429 20 0 EGADLP Brc1cccc(CCC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657359176 462070043 /nfs/dbraw/zinc/07/00/43/462070043.db2.gz SDFHVAWRIJBXCB-UHFFFAOYSA-N 2 2 334.261 3.314 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388173 462091241 /nfs/dbraw/zinc/09/12/41/462091241.db2.gz GWVBIGMFQYZOHM-VQIMIIECSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388173 462091245 /nfs/dbraw/zinc/09/12/45/462091245.db2.gz GWVBIGMFQYZOHM-VQIMIIECSA-N 2 2 338.499 3.440 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843035 462102441 /nfs/dbraw/zinc/10/24/41/462102441.db2.gz CHCRIVPVVALCHW-OXJNMPFZSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843035 462102446 /nfs/dbraw/zinc/10/24/46/462102446.db2.gz CHCRIVPVVALCHW-OXJNMPFZSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000644843035 462102450 /nfs/dbraw/zinc/10/24/50/462102450.db2.gz CHCRIVPVVALCHW-OXJNMPFZSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000644843035 462102454 /nfs/dbraw/zinc/10/24/54/462102454.db2.gz CHCRIVPVVALCHW-OXJNMPFZSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000648408509 462105358 /nfs/dbraw/zinc/10/53/58/462105358.db2.gz ZYWIGORELGSMDO-GGPKGHCWSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000667533601 462130328 /nfs/dbraw/zinc/13/03/28/462130328.db2.gz XNUUYEQAPDUCBB-LBPRGKRZSA-N 2 2 335.249 3.255 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667587330 462160856 /nfs/dbraw/zinc/16/08/56/462160856.db2.gz NSDYKZYQEPFAIW-WMZOPIPTSA-N 2 2 329.444 3.134 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667587330 462160862 /nfs/dbraw/zinc/16/08/62/462160862.db2.gz NSDYKZYQEPFAIW-WMZOPIPTSA-N 2 2 329.444 3.134 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174317 462216418 /nfs/dbraw/zinc/21/64/18/462216418.db2.gz STEUSXSOBWIIAO-CZUORRHYSA-N 2 2 345.491 3.124 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174317 462216424 /nfs/dbraw/zinc/21/64/24/462216424.db2.gz STEUSXSOBWIIAO-CZUORRHYSA-N 2 2 345.491 3.124 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667734972 462238487 /nfs/dbraw/zinc/23/84/87/462238487.db2.gz CXRPIUZJDIOJKS-MRXNPFEDSA-N 2 2 327.432 3.121 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1Cl ZINC000657753195 462253171 /nfs/dbraw/zinc/25/31/71/462253171.db2.gz VEJOZZICDIBTBU-ZDUSSCGKSA-N 2 2 347.261 3.475 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530536 462270552 /nfs/dbraw/zinc/27/05/52/462270552.db2.gz OXXFZFBDNMNTLE-CVEARBPZSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530536 462270559 /nfs/dbraw/zinc/27/05/59/462270559.db2.gz OXXFZFBDNMNTLE-CVEARBPZSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530536 462270563 /nfs/dbraw/zinc/27/05/63/462270563.db2.gz OXXFZFBDNMNTLE-CVEARBPZSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530536 462270567 /nfs/dbraw/zinc/27/05/67/462270567.db2.gz OXXFZFBDNMNTLE-CVEARBPZSA-N 2 2 340.471 3.459 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934487 462334875 /nfs/dbraw/zinc/33/48/75/462334875.db2.gz JDIZEWPEQSJNAH-HKUYNNGSSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934487 462334880 /nfs/dbraw/zinc/33/48/80/462334880.db2.gz JDIZEWPEQSJNAH-HKUYNNGSSA-N 2 2 337.552 3.076 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000661646756 462347322 /nfs/dbraw/zinc/34/73/22/462347322.db2.gz HQELVGXXLPYUPK-NRFANRHFSA-N 2 2 340.515 3.221 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000661646756 462347329 /nfs/dbraw/zinc/34/73/29/462347329.db2.gz HQELVGXXLPYUPK-NRFANRHFSA-N 2 2 340.515 3.221 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661646756 462347336 /nfs/dbraw/zinc/34/73/36/462347336.db2.gz HQELVGXXLPYUPK-NRFANRHFSA-N 2 2 340.515 3.221 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661646756 462347341 /nfs/dbraw/zinc/34/73/41/462347341.db2.gz HQELVGXXLPYUPK-NRFANRHFSA-N 2 2 340.515 3.221 20 0 EGADLP FC(F)(F)c1ncc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000665234282 462363720 /nfs/dbraw/zinc/36/37/20/462363720.db2.gz AAGVWDMUVJKWEM-LSDHHAIUSA-N 2 2 336.361 3.078 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299673 462391423 /nfs/dbraw/zinc/39/14/23/462391423.db2.gz RBEKVVXIJUTFAH-TYPHKJRUSA-N 3 2 327.516 3.191 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299673 462391427 /nfs/dbraw/zinc/39/14/27/462391427.db2.gz RBEKVVXIJUTFAH-TYPHKJRUSA-N 3 2 327.516 3.191 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000652140588 462446839 /nfs/dbraw/zinc/44/68/39/462446839.db2.gz VQCREWMKIJWIBF-UEXGIBASSA-N 2 2 337.467 3.396 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000652140588 462446845 /nfs/dbraw/zinc/44/68/45/462446845.db2.gz VQCREWMKIJWIBF-UEXGIBASSA-N 2 2 337.467 3.396 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000658294595 462459854 /nfs/dbraw/zinc/45/98/54/462459854.db2.gz NTMBVRIVOWRGNN-YJBOKZPZSA-N 2 2 325.456 3.139 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296825 462462570 /nfs/dbraw/zinc/46/25/70/462462570.db2.gz WGCVDCOBBOJQHK-RDTXWAMCSA-N 2 2 338.442 3.129 20 0 EGADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000649296985 462471416 /nfs/dbraw/zinc/47/14/16/462471416.db2.gz WWAKQXVJNACDIK-NRFANRHFSA-N 2 2 349.482 3.468 20 0 EGADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000649296985 462471421 /nfs/dbraw/zinc/47/14/21/462471421.db2.gz WWAKQXVJNACDIK-NRFANRHFSA-N 2 2 349.482 3.468 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc4cc[nH]c4c3)[nH+]c2)C1 ZINC000527683998 478476588 /nfs/dbraw/zinc/47/65/88/478476588.db2.gz XBDOQXKZXQCOQU-SFHVURJKSA-N 2 2 335.455 3.315 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)c1 ZINC000482078000 518191348 /nfs/dbraw/zinc/19/13/48/518191348.db2.gz QTSVTQUJGGILNL-UHFFFAOYSA-N 2 2 337.467 3.080 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187102757 534690888 /nfs/dbraw/zinc/69/08/88/534690888.db2.gz BLOKLDIRZZJZJF-UHFFFAOYSA-N 2 2 348.450 3.044 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2nccn2CCc2ccccc2)CC1 ZINC000164242862 528203790 /nfs/dbraw/zinc/20/37/90/528203790.db2.gz RGFCYGKHSLOXTG-UHFFFAOYSA-N 2 2 326.488 3.090 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000371337069 535200904 /nfs/dbraw/zinc/20/09/04/535200904.db2.gz SGMRTEIXSACGCM-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000371337069 535200908 /nfs/dbraw/zinc/20/09/08/535200908.db2.gz SGMRTEIXSACGCM-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264233515 535665533 /nfs/dbraw/zinc/66/55/33/535665533.db2.gz MWRNVEVWXDBFSO-ROUUACIJSA-N 2 2 340.471 3.199 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000088521581 546640943 /nfs/dbraw/zinc/64/09/43/546640943.db2.gz HKMRUOCOMRWZDP-GOSISDBHSA-N 2 2 331.504 3.424 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000088521581 546640949 /nfs/dbraw/zinc/64/09/49/546640949.db2.gz HKMRUOCOMRWZDP-GOSISDBHSA-N 2 2 331.504 3.424 20 0 EGADLP CCC(=O)N1CCC([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000089134302 546642235 /nfs/dbraw/zinc/64/22/35/546642235.db2.gz FEXKBBYERQQYQI-LJQANCHMSA-N 2 2 331.504 3.060 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000120634993 546716486 /nfs/dbraw/zinc/71/64/86/546716486.db2.gz TXGGASWUGNDGNW-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000120634993 546716490 /nfs/dbraw/zinc/71/64/90/546716490.db2.gz TXGGASWUGNDGNW-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000120634993 546716492 /nfs/dbraw/zinc/71/64/92/546716492.db2.gz TXGGASWUGNDGNW-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000120634993 546716498 /nfs/dbraw/zinc/71/64/98/546716498.db2.gz TXGGASWUGNDGNW-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP Cc1ccn2c(CN3CCC[N@H+](Cc4ccccc4)CC3)c[nH+]c2c1 ZINC000127317449 546768039 /nfs/dbraw/zinc/76/80/39/546768039.db2.gz VWWDNCJLRPVVSO-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1ccn2c(CN3CCC[N@@H+](Cc4ccccc4)CC3)c[nH+]c2c1 ZINC000127317449 546768044 /nfs/dbraw/zinc/76/80/44/546768044.db2.gz VWWDNCJLRPVVSO-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151125783 546851929 /nfs/dbraw/zinc/85/19/29/546851929.db2.gz URJYJQYWIIMTPY-HNNXBMFYSA-N 2 2 335.411 3.015 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000151426729 546854406 /nfs/dbraw/zinc/85/44/06/546854406.db2.gz MSNQNVIHSPGMNJ-RSPOEFSDSA-N 2 2 346.540 3.466 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000151426729 546854412 /nfs/dbraw/zinc/85/44/12/546854412.db2.gz MSNQNVIHSPGMNJ-RSPOEFSDSA-N 2 2 346.540 3.466 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000156678692 546913604 /nfs/dbraw/zinc/91/36/04/546913604.db2.gz FPZSFQRKTRWBNW-LAUBAEHRSA-N 3 2 345.531 3.152 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)C(=O)NCC3CCCCC3)n2c1 ZINC000157694865 546922766 /nfs/dbraw/zinc/92/27/66/546922766.db2.gz UQFMUVRHXCGZIQ-UHFFFAOYSA-N 2 2 342.487 3.207 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000163726480 546975134 /nfs/dbraw/zinc/97/51/34/546975134.db2.gz DUHMIXUWRLHHCE-OAQYLSRUSA-N 2 2 340.442 3.435 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC000188839586 547151572 /nfs/dbraw/zinc/15/15/72/547151572.db2.gz JVVYLYKFLLRUGZ-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000188839586 547151575 /nfs/dbraw/zinc/15/15/75/547151575.db2.gz JVVYLYKFLLRUGZ-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3Cl)C[C@H]12 ZINC000261557972 547324292 /nfs/dbraw/zinc/32/42/92/547324292.db2.gz CYCKDFDDGCUASW-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3Cl)C[C@H]12 ZINC000261557972 547324296 /nfs/dbraw/zinc/32/42/96/547324296.db2.gz CYCKDFDDGCUASW-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000339068714 547569130 /nfs/dbraw/zinc/56/91/30/547569130.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000339068714 547569134 /nfs/dbraw/zinc/56/91/34/547569134.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068714 547569139 /nfs/dbraw/zinc/56/91/39/547569139.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068714 547569141 /nfs/dbraw/zinc/56/91/41/547569141.db2.gz SVXRVTPEXGSAGL-PBASOCQRSA-N 3 2 327.516 3.256 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339243458 547571333 /nfs/dbraw/zinc/57/13/33/547571333.db2.gz GIEDWBYVONWBAZ-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339243458 547571338 /nfs/dbraw/zinc/57/13/38/547571338.db2.gz GIEDWBYVONWBAZ-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000378374769 547818618 /nfs/dbraw/zinc/81/86/18/547818618.db2.gz WDTADFGINATFGG-PKOBYXMFSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000378374769 547818624 /nfs/dbraw/zinc/81/86/24/547818624.db2.gz WDTADFGINATFGG-PKOBYXMFSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)nn1CC(C)C ZINC000378374769 547818628 /nfs/dbraw/zinc/81/86/28/547818628.db2.gz WDTADFGINATFGG-PKOBYXMFSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)nn1CC(C)C ZINC000378374769 547818632 /nfs/dbraw/zinc/81/86/32/547818632.db2.gz WDTADFGINATFGG-PKOBYXMFSA-N 2 2 348.535 3.162 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000482871378 547966016 /nfs/dbraw/zinc/96/60/16/547966016.db2.gz HPJGEDFIXXRJHI-RTWAWAEBSA-N 2 2 329.532 3.013 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000482871378 547966020 /nfs/dbraw/zinc/96/60/20/547966020.db2.gz HPJGEDFIXXRJHI-RTWAWAEBSA-N 2 2 329.532 3.013 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000674751722 548790998 /nfs/dbraw/zinc/79/09/98/548790998.db2.gz TUCBXCFNKSTXKL-KRWDZBQOSA-N 2 2 328.460 3.231 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000674751722 548791001 /nfs/dbraw/zinc/79/10/01/548791001.db2.gz TUCBXCFNKSTXKL-KRWDZBQOSA-N 2 2 328.460 3.231 20 0 EGADLP C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000678153120 549411705 /nfs/dbraw/zinc/41/17/05/549411705.db2.gz BZHJVIVRUFAENV-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000678153120 549411707 /nfs/dbraw/zinc/41/17/07/549411707.db2.gz BZHJVIVRUFAENV-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP C[NH+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000678153120 549411712 /nfs/dbraw/zinc/41/17/12/549411712.db2.gz BZHJVIVRUFAENV-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP C[NH+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000678153120 549411716 /nfs/dbraw/zinc/41/17/16/549411716.db2.gz BZHJVIVRUFAENV-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000678221053 549428788 /nfs/dbraw/zinc/42/87/88/549428788.db2.gz XPBUXPSWMHNSES-UHFFFAOYSA-N 2 2 337.427 3.119 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234476 549435738 /nfs/dbraw/zinc/43/57/38/549435738.db2.gz GCIRZQRRANKFGZ-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234476 549435741 /nfs/dbraw/zinc/43/57/41/549435741.db2.gz GCIRZQRRANKFGZ-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000678235624 549436071 /nfs/dbraw/zinc/43/60/71/549436071.db2.gz XGIBUDOGCVVQGT-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000678235624 549436073 /nfs/dbraw/zinc/43/60/73/549436073.db2.gz XGIBUDOGCVVQGT-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1OC ZINC000678235093 549436581 /nfs/dbraw/zinc/43/65/81/549436581.db2.gz CVBWBQDVCSPGSM-CQSZACIVSA-N 2 2 335.835 3.391 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1OC ZINC000678235093 549436584 /nfs/dbraw/zinc/43/65/84/549436584.db2.gz CVBWBQDVCSPGSM-CQSZACIVSA-N 2 2 335.835 3.391 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783734 549561057 /nfs/dbraw/zinc/56/10/57/549561057.db2.gz QSJGGRNQALSEIJ-PXNSSMCTSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783734 549561059 /nfs/dbraw/zinc/56/10/59/549561059.db2.gz QSJGGRNQALSEIJ-PXNSSMCTSA-N 2 2 348.437 3.498 20 0 EGADLP CC[NH+](CC)CCCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000679898706 549788194 /nfs/dbraw/zinc/78/81/94/549788194.db2.gz ALRDYOAKUGRTHW-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000680040390 549809675 /nfs/dbraw/zinc/80/96/75/549809675.db2.gz YXDJHCKBQUKLTR-UDTPNQRGSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000680040390 549809679 /nfs/dbraw/zinc/80/96/79/549809679.db2.gz YXDJHCKBQUKLTR-UDTPNQRGSA-N 2 2 340.471 3.329 20 0 EGADLP CC[C@@H](C)CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680192328 549830263 /nfs/dbraw/zinc/83/02/63/549830263.db2.gz ULHZUTYYUWHECA-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP CC[C@@H](C)CCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680192328 549830265 /nfs/dbraw/zinc/83/02/65/549830265.db2.gz ULHZUTYYUWHECA-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP Cc1[nH+]c2ccccc2n1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000680773890 549905043 /nfs/dbraw/zinc/90/50/43/549905043.db2.gz CRMHFLFQHIAFDA-GOOCMWNKSA-N 2 2 337.427 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000680773890 549905046 /nfs/dbraw/zinc/90/50/46/549905046.db2.gz CRMHFLFQHIAFDA-GOOCMWNKSA-N 2 2 337.427 3.116 20 0 EGADLP O[C@H](C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)C(F)(F)F ZINC000682030193 550063722 /nfs/dbraw/zinc/06/37/22/550063722.db2.gz RRFUHUWBNOLDOG-QGZVFWFLSA-N 2 2 344.421 3.288 20 0 EGADLP O[C@H](C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)C(F)(F)F ZINC000682030193 550063724 /nfs/dbraw/zinc/06/37/24/550063724.db2.gz RRFUHUWBNOLDOG-QGZVFWFLSA-N 2 2 344.421 3.288 20 0 EGADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682086282 550072237 /nfs/dbraw/zinc/07/22/37/550072237.db2.gz PTLUNNFJHBGOEI-MRXNPFEDSA-N 2 2 326.843 3.212 20 0 EGADLP CC[N@H+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)c1ccccc1 ZINC000685326824 550411381 /nfs/dbraw/zinc/41/13/81/550411381.db2.gz IPVMPWMZEGITOB-FBVQUNGASA-N 2 2 340.471 3.451 20 0 EGADLP CC[N@@H+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)c1ccccc1 ZINC000685326824 550411384 /nfs/dbraw/zinc/41/13/84/550411384.db2.gz IPVMPWMZEGITOB-FBVQUNGASA-N 2 2 340.471 3.451 20 0 EGADLP CC[NH+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000685326824 550411387 /nfs/dbraw/zinc/41/13/87/550411387.db2.gz IPVMPWMZEGITOB-FBVQUNGASA-N 2 2 340.471 3.451 20 0 EGADLP CC[NH+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685326824 550411389 /nfs/dbraw/zinc/41/13/89/550411389.db2.gz IPVMPWMZEGITOB-FBVQUNGASA-N 2 2 340.471 3.451 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000727758180 574688858 /nfs/dbraw/zinc/68/88/58/574688858.db2.gz QYUAAKRTMKZHPX-INIZCTEOSA-N 2 2 327.513 3.098 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000727758180 574688860 /nfs/dbraw/zinc/68/88/60/574688860.db2.gz QYUAAKRTMKZHPX-INIZCTEOSA-N 2 2 327.513 3.098 20 0 EGADLP O[C@H](C[N@H+](Cc1ccccc1F)C1CCCCC1)C[NH+]1CCCC1 ZINC000729543360 574870385 /nfs/dbraw/zinc/87/03/85/574870385.db2.gz QIMQDODCPJVTPO-IBGZPJMESA-N 2 2 334.479 3.417 20 0 EGADLP O[C@H](C[N@@H+](Cc1ccccc1F)C1CCCCC1)C[NH+]1CCCC1 ZINC000729543360 574870387 /nfs/dbraw/zinc/87/03/87/574870387.db2.gz QIMQDODCPJVTPO-IBGZPJMESA-N 2 2 334.479 3.417 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000729683427 574878970 /nfs/dbraw/zinc/87/89/70/574878970.db2.gz MSANZKVBXMMNBV-MJGOQNOKSA-N 2 2 326.440 3.208 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000729683427 574878973 /nfs/dbraw/zinc/87/89/73/574878973.db2.gz MSANZKVBXMMNBV-MJGOQNOKSA-N 2 2 326.440 3.208 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000731846890 575212004 /nfs/dbraw/zinc/21/20/04/575212004.db2.gz QVPRLRHGVSSTIX-INIZCTEOSA-N 2 2 343.309 3.146 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000731846890 575212002 /nfs/dbraw/zinc/21/20/02/575212002.db2.gz QVPRLRHGVSSTIX-INIZCTEOSA-N 2 2 343.309 3.146 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000678698708 576169913 /nfs/dbraw/zinc/16/99/13/576169913.db2.gz UOXVMUJZWQFUIT-GOSISDBHSA-N 2 2 335.495 3.441 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000738091517 576287090 /nfs/dbraw/zinc/28/70/90/576287090.db2.gz YVYKEOGPJITIJO-UHFFFAOYSA-N 2 2 339.553 3.179 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000738091517 576287093 /nfs/dbraw/zinc/28/70/93/576287093.db2.gz YVYKEOGPJITIJO-UHFFFAOYSA-N 2 2 339.553 3.179 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046468481 1291540518 /nfs/dbraw/zinc/54/05/18/1291540518.db2.gz RSNGAEWAWSCGGL-QGZVFWFLSA-N 2 2 343.475 3.181 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cn1 ZINC000048782422 1291618911 /nfs/dbraw/zinc/61/89/11/1291618911.db2.gz DLVDPVLIHDBRCT-UHFFFAOYSA-N 2 2 344.422 3.051 20 0 EGADLP C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000052822634 1291712676 /nfs/dbraw/zinc/71/26/76/1291712676.db2.gz ACXLXYUVPVDWRR-PBHICJAKSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)n1cc[nH+]c1 ZINC000053721991 1291728985 /nfs/dbraw/zinc/72/89/85/1291728985.db2.gz DMGYGBFQHJRCRC-JKSUJKDBSA-N 2 2 326.444 3.457 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)n1cc[nH+]c1 ZINC000053721991 1291728992 /nfs/dbraw/zinc/72/89/92/1291728992.db2.gz DMGYGBFQHJRCRC-JKSUJKDBSA-N 2 2 326.444 3.457 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014652 1291957111 /nfs/dbraw/zinc/95/71/11/1291957111.db2.gz GKLSEZATUAMDCJ-UHFFFAOYSA-N 2 2 343.862 3.188 20 0 EGADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccccc2Cl)c2ccccc2)CC1 ZINC000069171410 1292234084 /nfs/dbraw/zinc/23/40/84/1292234084.db2.gz MCFCWJFXMHWYFX-HXUWFJFHSA-N 2 2 343.902 3.418 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000071895963 1292270947 /nfs/dbraw/zinc/27/09/47/1292270947.db2.gz FHEZMEZGWUPJOO-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000071895963 1292270953 /nfs/dbraw/zinc/27/09/53/1292270953.db2.gz FHEZMEZGWUPJOO-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000828984169 1292525394 /nfs/dbraw/zinc/52/53/94/1292525394.db2.gz WKFHYXQDFSOHHB-AEFFLSMTSA-N 2 2 339.524 3.096 20 0 EGADLP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000828984169 1292525402 /nfs/dbraw/zinc/52/54/02/1292525402.db2.gz WKFHYXQDFSOHHB-AEFFLSMTSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000079000687 1292539736 /nfs/dbraw/zinc/53/97/36/1292539736.db2.gz JMIBIPAKTQFVIP-LJQANCHMSA-N 2 2 337.471 3.332 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003754 1292784034 /nfs/dbraw/zinc/78/40/34/1292784034.db2.gz ZBCJHQISMJOERA-QGZVFWFLSA-N 2 2 343.471 3.152 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003754 1292784038 /nfs/dbraw/zinc/78/40/38/1292784038.db2.gz ZBCJHQISMJOERA-QGZVFWFLSA-N 2 2 343.471 3.152 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+]CC(C)(C)C[NH+](C)C)c1Cl ZINC000116331473 1293202978 /nfs/dbraw/zinc/20/29/78/1293202978.db2.gz SNDIQQYTRUQGDW-UHFFFAOYSA-N 2 2 334.895 3.418 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000161999374 1294305024 /nfs/dbraw/zinc/30/50/24/1294305024.db2.gz ITRIQOZKDHGDRL-AQNXPRMDSA-N 2 2 343.515 3.125 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166547000 1294362972 /nfs/dbraw/zinc/36/29/72/1294362972.db2.gz TZQGNSPAGZMXKU-NHYWBVRUSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166547000 1294362976 /nfs/dbraw/zinc/36/29/76/1294362976.db2.gz TZQGNSPAGZMXKU-NHYWBVRUSA-N 2 2 334.261 3.166 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC000236682229 1296195534 /nfs/dbraw/zinc/19/55/34/1296195534.db2.gz IKFGZKBCPNSPNM-RTWAWAEBSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC000236682229 1296195536 /nfs/dbraw/zinc/19/55/36/1296195536.db2.gz IKFGZKBCPNSPNM-RTWAWAEBSA-N 2 2 337.467 3.377 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(O)ccc1F ZINC000872025328 1296669096 /nfs/dbraw/zinc/66/90/96/1296669096.db2.gz KUPKCRFPUMGBHW-OAHLLOKOSA-N 2 2 344.430 3.214 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000304205753 1296903817 /nfs/dbraw/zinc/90/38/17/1296903817.db2.gz BSHAYXKEDPLYID-IFXJQAMLSA-N 2 2 325.387 3.223 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000310276852 1297092894 /nfs/dbraw/zinc/09/28/94/1297092894.db2.gz JWMQGIZBVWEUEV-KRWDZBQOSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000310276852 1297092909 /nfs/dbraw/zinc/09/29/09/1297092909.db2.gz JWMQGIZBVWEUEV-KRWDZBQOSA-N 2 2 346.906 3.384 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873209773 1297352939 /nfs/dbraw/zinc/35/29/39/1297352939.db2.gz QOYZCQBDVYTRCW-CQSZACIVSA-N 2 2 347.553 3.334 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(N)cc(F)c3)CC2)cc1 ZINC000873289752 1297410675 /nfs/dbraw/zinc/41/06/75/1297410675.db2.gz XKEYOCCAWNUASJ-UHFFFAOYSA-N 2 2 342.462 3.233 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379636005 1297534631 /nfs/dbraw/zinc/53/46/31/1297534631.db2.gz WSCLVHYOWLPYNI-FUHWJXTLSA-N 2 2 325.456 3.238 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379636005 1297534637 /nfs/dbraw/zinc/53/46/37/1297534637.db2.gz WSCLVHYOWLPYNI-FUHWJXTLSA-N 2 2 325.456 3.238 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511971 1297731753 /nfs/dbraw/zinc/73/17/53/1297731753.db2.gz LTSHBNNPMBICRD-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511971 1297731757 /nfs/dbraw/zinc/73/17/57/1297731757.db2.gz LTSHBNNPMBICRD-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248647 1297764798 /nfs/dbraw/zinc/76/47/98/1297764798.db2.gz IQDUIYOFVVJYRX-FHWLQOOXSA-N 3 2 327.516 3.147 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248647 1297764809 /nfs/dbraw/zinc/76/48/09/1297764809.db2.gz IQDUIYOFVVJYRX-FHWLQOOXSA-N 3 2 327.516 3.147 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000420406069 1297787463 /nfs/dbraw/zinc/78/74/63/1297787463.db2.gz QKYPDXVTZIUFBK-MRXNPFEDSA-N 2 2 328.378 3.302 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000420406069 1297787471 /nfs/dbraw/zinc/78/74/71/1297787471.db2.gz QKYPDXVTZIUFBK-MRXNPFEDSA-N 2 2 328.378 3.302 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881214 1298152999 /nfs/dbraw/zinc/15/29/99/1298152999.db2.gz ZFJIOKWPBFKWEP-BZUAXINKSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881214 1298153003 /nfs/dbraw/zinc/15/30/03/1298153003.db2.gz ZFJIOKWPBFKWEP-BZUAXINKSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccncc1Br ZINC000703772038 1298202963 /nfs/dbraw/zinc/20/29/63/1298202963.db2.gz ZZTHCNFRTWAHHT-CQSZACIVSA-N 2 2 337.265 3.245 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876929410 1299072642 /nfs/dbraw/zinc/07/26/42/1299072642.db2.gz IVQWABLFUCIBAG-CQSZACIVSA-N 2 2 330.432 3.408 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877056506 1299136548 /nfs/dbraw/zinc/13/65/48/1299136548.db2.gz SXGLHIKQCIIDCQ-WVMBUTMQSA-N 2 2 348.556 3.491 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877056506 1299136551 /nfs/dbraw/zinc/13/65/51/1299136551.db2.gz SXGLHIKQCIIDCQ-WVMBUTMQSA-N 2 2 348.556 3.491 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NC[C@H]3CC3(Cl)Cl)[nH+]c2)CC1 ZINC000877095800 1299156220 /nfs/dbraw/zinc/15/62/20/1299156220.db2.gz UGVBINGAQOEQTJ-GFCCVEGCSA-N 2 2 343.302 3.218 20 0 EGADLP Cn1ccc(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000877124972 1299169076 /nfs/dbraw/zinc/16/90/76/1299169076.db2.gz GFKJATSNUVFORH-NRFANRHFSA-N 2 2 340.515 3.448 20 0 EGADLP Cn1ccc(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000877124972 1299169082 /nfs/dbraw/zinc/16/90/82/1299169082.db2.gz GFKJATSNUVFORH-NRFANRHFSA-N 2 2 340.515 3.448 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167718 1299792705 /nfs/dbraw/zinc/79/27/05/1299792705.db2.gz YRTZXLNZBDTFIJ-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167718 1299792713 /nfs/dbraw/zinc/79/27/13/1299792713.db2.gz YRTZXLNZBDTFIJ-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167718 1299792719 /nfs/dbraw/zinc/79/27/19/1299792719.db2.gz YRTZXLNZBDTFIJ-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000878167718 1299792724 /nfs/dbraw/zinc/79/27/24/1299792724.db2.gz YRTZXLNZBDTFIJ-PKOBYXMFSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511900 1300046313 /nfs/dbraw/zinc/04/63/13/1300046313.db2.gz IRJWVFVUGITJQO-MJGOQNOKSA-N 2 2 331.504 3.153 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511900 1300046323 /nfs/dbraw/zinc/04/63/23/1300046323.db2.gz IRJWVFVUGITJQO-MJGOQNOKSA-N 2 2 331.504 3.153 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653095 1300128384 /nfs/dbraw/zinc/12/83/84/1300128384.db2.gz YHXMCGBKXRDTBY-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653095 1300128388 /nfs/dbraw/zinc/12/83/88/1300128388.db2.gz YHXMCGBKXRDTBY-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000878653095 1300128392 /nfs/dbraw/zinc/12/83/92/1300128392.db2.gz YHXMCGBKXRDTBY-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000878653095 1300128397 /nfs/dbraw/zinc/12/83/97/1300128397.db2.gz YHXMCGBKXRDTBY-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000756107301 1300439692 /nfs/dbraw/zinc/43/96/92/1300439692.db2.gz QAMKBFSIXXDQNA-UHFFFAOYSA-N 2 2 335.448 3.263 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570771 1301166736 /nfs/dbraw/zinc/16/67/36/1301166736.db2.gz YMRHFBZJXSBSLF-QGZVFWFLSA-N 2 2 329.444 3.336 20 0 EGADLP Cc1nc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cs1 ZINC000764828127 1302143304 /nfs/dbraw/zinc/14/33/04/1302143304.db2.gz PDXKBZKPYWMCHA-UHFFFAOYSA-N 2 2 344.528 3.319 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000882949806 1302178310 /nfs/dbraw/zinc/17/83/10/1302178310.db2.gz IKBWYECNAAKXCM-INIZCTEOSA-N 2 2 347.528 3.048 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137556 1302399695 /nfs/dbraw/zinc/39/96/95/1302399695.db2.gz ZZCOVTQZFMSSLA-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137556 1302399705 /nfs/dbraw/zinc/39/97/05/1302399705.db2.gz ZZCOVTQZFMSSLA-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273228 1302419401 /nfs/dbraw/zinc/41/94/01/1302419401.db2.gz OMNLIQFEPWPAPL-IRXDYDNUSA-N 2 2 342.487 3.134 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273228 1302419405 /nfs/dbraw/zinc/41/94/05/1302419405.db2.gz OMNLIQFEPWPAPL-IRXDYDNUSA-N 2 2 342.487 3.134 20 0 EGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(OC)c1 ZINC000883398289 1302431392 /nfs/dbraw/zinc/43/13/92/1302431392.db2.gz JDRNMRYGJZKNMX-LJQANCHMSA-N 2 2 337.423 3.431 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](CCO)c3ccco3)CC2)cc1 ZINC000769419447 1303109996 /nfs/dbraw/zinc/10/99/96/1303109996.db2.gz UOYXYSQVKMXWMB-LJQANCHMSA-N 2 2 343.471 3.028 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000886188481 1303390847 /nfs/dbraw/zinc/39/08/47/1303390847.db2.gz STEPCYABYZXIFN-CTNGQTDRSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000886188481 1303390854 /nfs/dbraw/zinc/39/08/54/1303390854.db2.gz STEPCYABYZXIFN-CTNGQTDRSA-N 2 2 346.515 3.026 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)[nH+]c1C ZINC000886664264 1303545465 /nfs/dbraw/zinc/54/54/65/1303545465.db2.gz HPTOPMAUYAOWNG-UHFFFAOYSA-N 2 2 346.862 3.498 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000886707882 1303572912 /nfs/dbraw/zinc/57/29/12/1303572912.db2.gz VOOWUHJIKPHHKG-FGTMMUONSA-N 2 2 335.536 3.115 20 0 EGADLP CC(C)OC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000886725739 1303580166 /nfs/dbraw/zinc/58/01/66/1303580166.db2.gz TUWMDXCCNNSARZ-UHFFFAOYSA-N 2 2 327.428 3.036 20 0 EGADLP C[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCOC2(CCC2)C1 ZINC000886773953 1303594702 /nfs/dbraw/zinc/59/47/02/1303594702.db2.gz FBLHQHZQXDKLRK-IBGZPJMESA-N 2 2 329.488 3.379 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](CO)CC(C)(C)C)CC2)cc1 ZINC000773079997 1303620588 /nfs/dbraw/zinc/62/05/88/1303620588.db2.gz ZRINEKIGDNUGCY-QGZVFWFLSA-N 2 2 333.520 3.108 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000887131177 1303685299 /nfs/dbraw/zinc/68/52/99/1303685299.db2.gz SCLKZWPNVGIMLO-CQSZACIVSA-N 2 2 341.846 3.093 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000887131177 1303685304 /nfs/dbraw/zinc/68/53/04/1303685304.db2.gz SCLKZWPNVGIMLO-CQSZACIVSA-N 2 2 341.846 3.093 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775377308 1303950328 /nfs/dbraw/zinc/95/03/28/1303950328.db2.gz WSDLSUVCCYVDRV-KBXIAJHMSA-N 2 2 325.547 3.267 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CCOCC1 ZINC000777301215 1304280125 /nfs/dbraw/zinc/28/01/25/1304280125.db2.gz RJCBRBDUYTWSFN-MRXNPFEDSA-N 2 2 331.504 3.444 20 0 EGADLP CCC[NH+]1CCC([NH2+]CC(=O)Nc2cccc3ccccc32)CC1 ZINC000779905863 1304621242 /nfs/dbraw/zinc/62/12/42/1304621242.db2.gz AFALHCWCTOESKS-UHFFFAOYSA-N 2 2 325.456 3.242 20 0 EGADLP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000782944385 1305026999 /nfs/dbraw/zinc/02/69/99/1305026999.db2.gz GFGQGRBYWNAGGI-LJQANCHMSA-N 2 2 346.519 3.227 20 0 EGADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000783032457 1305039055 /nfs/dbraw/zinc/03/90/55/1305039055.db2.gz ZYAKVCGJLJHIGF-IBGZPJMESA-N 2 2 331.435 3.248 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000892565044 1305443023 /nfs/dbraw/zinc/44/30/23/1305443023.db2.gz DHETYYIMHGJSPO-HNNXBMFYSA-N 2 2 344.459 3.086 20 0 EGADLP FC(F)(F)Oc1cccc(CC[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000892659206 1305492508 /nfs/dbraw/zinc/49/25/08/1305492508.db2.gz RFIYZJZIHFMVRK-UHFFFAOYSA-N 2 2 327.350 3.394 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000892738385 1305530992 /nfs/dbraw/zinc/53/09/92/1305530992.db2.gz CAFBSYMDQXSDBI-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000892738385 1305530996 /nfs/dbraw/zinc/53/09/96/1305530996.db2.gz CAFBSYMDQXSDBI-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893098977 1305706473 /nfs/dbraw/zinc/70/64/73/1305706473.db2.gz UKQWRCMSNQSZDX-OXQOHEQNSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893098977 1305706478 /nfs/dbraw/zinc/70/64/78/1305706478.db2.gz UKQWRCMSNQSZDX-OXQOHEQNSA-N 2 2 338.499 3.440 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046630 1306189608 /nfs/dbraw/zinc/18/96/08/1306189608.db2.gz XEZSYAKBQORNRW-LSDHHAIUSA-N 2 2 343.471 3.259 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046630 1306189612 /nfs/dbraw/zinc/18/96/12/1306189612.db2.gz XEZSYAKBQORNRW-LSDHHAIUSA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046630 1306189615 /nfs/dbraw/zinc/18/96/15/1306189615.db2.gz XEZSYAKBQORNRW-LSDHHAIUSA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046630 1306189618 /nfs/dbraw/zinc/18/96/18/1306189618.db2.gz XEZSYAKBQORNRW-LSDHHAIUSA-N 2 2 343.471 3.259 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn(CC3CCC3)c2)CC1 ZINC000894081221 1306206060 /nfs/dbraw/zinc/20/60/60/1306206060.db2.gz UNQXXROIQLXRKN-UHFFFAOYSA-N 2 2 340.471 3.430 20 0 EGADLP FC(F)(F)C1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000894891691 1309116527 /nfs/dbraw/zinc/11/65/27/1309116527.db2.gz CUYMCXXEGDTFNO-UHFFFAOYSA-N 2 2 328.378 3.155 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000895438842 1309335866 /nfs/dbraw/zinc/33/58/66/1309335866.db2.gz NGLQYEABNJCMLO-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793534075 1309397995 /nfs/dbraw/zinc/39/79/95/1309397995.db2.gz OIEFKAQTKIEFPY-VDZJLULYSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793534075 1309397999 /nfs/dbraw/zinc/39/79/99/1309397999.db2.gz OIEFKAQTKIEFPY-VDZJLULYSA-N 2 2 326.488 3.290 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000796702341 1310067193 /nfs/dbraw/zinc/06/71/93/1310067193.db2.gz MJLNEHHZRQMWRE-MAUKXSAKSA-N 2 2 338.459 3.229 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000796704007 1310067677 /nfs/dbraw/zinc/06/76/77/1310067677.db2.gz YWXLRTOFOFQPRH-DOMZBBRYSA-N 2 2 335.473 3.497 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1C(F)(F)F ZINC000897331367 1310294227 /nfs/dbraw/zinc/29/42/27/1310294227.db2.gz QRDFNUPKXCDDNJ-KRWDZBQOSA-N 2 2 342.405 3.203 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000799175281 1310498517 /nfs/dbraw/zinc/49/85/17/1310498517.db2.gz UJQCUUKLQDJESB-INIZCTEOSA-N 2 2 330.394 3.157 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000799175281 1310498520 /nfs/dbraw/zinc/49/85/20/1310498520.db2.gz UJQCUUKLQDJESB-INIZCTEOSA-N 2 2 330.394 3.157 20 0 EGADLP C[N@H+](Cc1ccccc1NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000900092204 1317233967 /nfs/dbraw/zinc/23/39/67/1317233967.db2.gz GJBHKEDJLPACCE-UHFFFAOYSA-N 2 2 326.444 3.355 20 0 EGADLP C[N@@H+](Cc1ccccc1NC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000900092204 1317233970 /nfs/dbraw/zinc/23/39/70/1317233970.db2.gz GJBHKEDJLPACCE-UHFFFAOYSA-N 2 2 326.444 3.355 20 0 EGADLP CC(C)(C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)c1c[nH+]c[nH]1 ZINC001019656732 1317318982 /nfs/dbraw/zinc/31/89/82/1317318982.db2.gz WDBHPPNOWKEOOL-KRWDZBQOSA-N 2 2 346.519 3.238 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902349851 1317566296 /nfs/dbraw/zinc/56/62/96/1317566296.db2.gz RYGXGXQJDZFQEK-HXUWFJFHSA-N 3 2 329.532 3.327 20 0 EGADLP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000957720124 1317587177 /nfs/dbraw/zinc/58/71/77/1317587177.db2.gz BYOLTHZKWNTBQO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000957720124 1317587183 /nfs/dbraw/zinc/58/71/83/1317587183.db2.gz BYOLTHZKWNTBQO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000957720124 1317587191 /nfs/dbraw/zinc/58/71/91/1317587191.db2.gz BYOLTHZKWNTBQO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000957720124 1317587196 /nfs/dbraw/zinc/58/71/96/1317587196.db2.gz BYOLTHZKWNTBQO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](Cc1c(F)cccc1Cl)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718833 1317724829 /nfs/dbraw/zinc/72/48/29/1317724829.db2.gz RMRYGNGSSJMJFI-CYBMUJFWSA-N 2 2 326.843 3.070 20 0 EGADLP C[N@H+](Cc1c(F)cccc1Cl)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718833 1317724835 /nfs/dbraw/zinc/72/48/35/1317724835.db2.gz RMRYGNGSSJMJFI-CYBMUJFWSA-N 2 2 326.843 3.070 20 0 EGADLP FC(F)(F)c1ccccc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815253 1317738146 /nfs/dbraw/zinc/73/81/46/1317738146.db2.gz JTZTYRAIOHRUIK-UHFFFAOYSA-N 2 2 328.378 3.050 20 0 EGADLP FC(F)(F)c1ccccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815253 1317738150 /nfs/dbraw/zinc/73/81/50/1317738150.db2.gz JTZTYRAIOHRUIK-UHFFFAOYSA-N 2 2 328.378 3.050 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@@H+](C)C3)CC2)cc1 ZINC000858245271 1328720865 /nfs/dbraw/zinc/72/08/65/1328720865.db2.gz FYDGSIMLQZBFDD-SFHVURJKSA-N 3 2 344.547 3.043 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)s1 ZINC000809560107 1317831739 /nfs/dbraw/zinc/83/17/39/1317831739.db2.gz LNOJXRVFRJEBMK-MJGOQNOKSA-N 2 2 345.512 3.293 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)s1 ZINC000809560107 1317831749 /nfs/dbraw/zinc/83/17/49/1317831749.db2.gz LNOJXRVFRJEBMK-MJGOQNOKSA-N 2 2 345.512 3.293 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC001020818069 1317948139 /nfs/dbraw/zinc/94/81/39/1317948139.db2.gz GWMVGZXKWUICJQ-XIRDDKMYSA-N 2 2 348.450 3.103 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906272803 1318066823 /nfs/dbraw/zinc/06/68/23/1318066823.db2.gz IAOINDCEFCUNGJ-MRXNPFEDSA-N 2 2 331.508 3.090 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906272803 1318066829 /nfs/dbraw/zinc/06/68/29/1318066829.db2.gz IAOINDCEFCUNGJ-MRXNPFEDSA-N 2 2 331.508 3.090 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001021126688 1318107454 /nfs/dbraw/zinc/10/74/54/1318107454.db2.gz UVEQJZNCQABPNZ-SNRMKQJTSA-N 2 2 340.471 3.005 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(-c3cnco3)cc2)s1 ZINC000906520980 1318111697 /nfs/dbraw/zinc/11/16/97/1318111697.db2.gz XFGQGFIIZKJUTP-UHFFFAOYSA-N 2 2 328.441 3.150 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929990975 1328758476 /nfs/dbraw/zinc/75/84/76/1328758476.db2.gz DFOMRKIOPIKLLE-ZWKOTPCHSA-N 2 2 341.455 3.154 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929990975 1328758479 /nfs/dbraw/zinc/75/84/79/1328758479.db2.gz DFOMRKIOPIKLLE-ZWKOTPCHSA-N 2 2 341.455 3.154 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2c[nH+]cn2CC)C1 ZINC000908251753 1318318186 /nfs/dbraw/zinc/31/81/86/1318318186.db2.gz NBVBDTOCRAJKDC-DLBZAZTESA-N 2 2 332.492 3.079 20 0 EGADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2c[nH+]cn2CC)C1 ZINC000908251753 1318318192 /nfs/dbraw/zinc/31/81/92/1318318192.db2.gz NBVBDTOCRAJKDC-DLBZAZTESA-N 2 2 332.492 3.079 20 0 EGADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000812842355 1318468671 /nfs/dbraw/zinc/46/86/71/1318468671.db2.gz IRBRASKYWVUGAT-IAGOWNOFSA-N 2 2 331.504 3.126 20 0 EGADLP C[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000812842356 1318469230 /nfs/dbraw/zinc/46/92/30/1318469230.db2.gz IRBRASKYWVUGAT-IRXDYDNUSA-N 2 2 331.504 3.126 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640982 1318498238 /nfs/dbraw/zinc/49/82/38/1318498238.db2.gz AWOULRMWMCEEIE-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640982 1318498241 /nfs/dbraw/zinc/49/82/41/1318498241.db2.gz AWOULRMWMCEEIE-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnnn1-c1ccccc1 ZINC000813324467 1318532144 /nfs/dbraw/zinc/53/21/44/1318532144.db2.gz NCYSQVPNWVESTO-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001022287910 1318879742 /nfs/dbraw/zinc/87/97/42/1318879742.db2.gz VMJKZXGILNILMW-CALCHBBNSA-N 2 2 340.471 3.384 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1Cl ZINC000815121970 1318899964 /nfs/dbraw/zinc/89/99/64/1318899964.db2.gz HPKSWQALSQFNMW-ZDUSSCGKSA-N 2 2 338.908 3.137 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1Cl ZINC000815121970 1318899977 /nfs/dbraw/zinc/89/99/77/1318899977.db2.gz HPKSWQALSQFNMW-ZDUSSCGKSA-N 2 2 338.908 3.137 20 0 EGADLP C[N@H+](Cc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000816895147 1319240741 /nfs/dbraw/zinc/24/07/41/1319240741.db2.gz DDNMRAZTLGLKRS-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP C[N@@H+](Cc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000816895147 1319240751 /nfs/dbraw/zinc/24/07/51/1319240751.db2.gz DDNMRAZTLGLKRS-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP NC(=[NH+]OCc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000817377278 1319343366 /nfs/dbraw/zinc/34/33/66/1319343366.db2.gz RZEFCSSGAXTQKX-UHFFFAOYSA-N 2 2 331.460 3.098 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000817880459 1319450934 /nfs/dbraw/zinc/45/09/34/1319450934.db2.gz VJAOSYVLTQJDNW-RKVPGOIHSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000817880459 1319450942 /nfs/dbraw/zinc/45/09/42/1319450942.db2.gz VJAOSYVLTQJDNW-RKVPGOIHSA-N 2 2 325.456 3.084 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949344 1319473053 /nfs/dbraw/zinc/47/30/53/1319473053.db2.gz JCPSDZPQHKZGHI-YLJYHZDGSA-N 3 2 345.531 3.474 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817948588 1319473583 /nfs/dbraw/zinc/47/35/83/1319473583.db2.gz BWCIEUKAPQUFLZ-APWZRJJASA-N 3 2 333.520 3.330 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ncc1F ZINC000817985261 1319487066 /nfs/dbraw/zinc/48/70/66/1319487066.db2.gz IOQYAHCYQTULJX-WDEREUQCSA-N 2 2 342.256 3.309 20 0 EGADLP NC(=[NH+]OCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCOC1 ZINC000818093649 1319499464 /nfs/dbraw/zinc/49/94/64/1319499464.db2.gz UJKXONSFNFPNPC-GOSISDBHSA-N 2 2 331.460 3.098 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445173 1319542960 /nfs/dbraw/zinc/54/29/60/1319542960.db2.gz IJIWEXFFYOGABR-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445173 1319542969 /nfs/dbraw/zinc/54/29/69/1319542969.db2.gz IJIWEXFFYOGABR-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000839148323 1320881204 /nfs/dbraw/zinc/88/12/04/1320881204.db2.gz YNZDGMZOKGBRDK-MSEWRSJXSA-N 2 2 331.504 3.267 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c2cc1Cl ZINC000842479082 1321393956 /nfs/dbraw/zinc/39/39/56/1321393956.db2.gz UQKSXYNJKRCTPC-WFASDCNBSA-N 2 2 348.874 3.426 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c2cc1Cl ZINC000842479082 1321393960 /nfs/dbraw/zinc/39/39/60/1321393960.db2.gz UQKSXYNJKRCTPC-WFASDCNBSA-N 2 2 348.874 3.426 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000842828319 1321436468 /nfs/dbraw/zinc/43/64/68/1321436468.db2.gz BCUYMCFHFQWKCF-INIZCTEOSA-N 2 2 327.428 3.150 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000842828319 1321436469 /nfs/dbraw/zinc/43/64/69/1321436469.db2.gz BCUYMCFHFQWKCF-INIZCTEOSA-N 2 2 327.428 3.150 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2cc1C(C)C ZINC000843386560 1321509205 /nfs/dbraw/zinc/50/92/05/1321509205.db2.gz KDYKKCFIEKFKSD-DNVCBOLYSA-N 2 2 340.467 3.409 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2cc1C(C)C ZINC000843386560 1321509210 /nfs/dbraw/zinc/50/92/10/1321509210.db2.gz KDYKKCFIEKFKSD-DNVCBOLYSA-N 2 2 340.467 3.409 20 0 EGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145625 1321771616 /nfs/dbraw/zinc/77/16/16/1321771616.db2.gz MAYISPRGSYHXTM-HOCLYGCPSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145625 1321771618 /nfs/dbraw/zinc/77/16/18/1321771618.db2.gz MAYISPRGSYHXTM-HOCLYGCPSA-N 2 2 336.476 3.237 20 0 EGADLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc(F)ccc1F ZINC000849079328 1322069330 /nfs/dbraw/zinc/06/93/30/1322069330.db2.gz ILJWHFUQDBCGRP-UHFFFAOYSA-N 2 2 327.338 3.287 20 0 EGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cc(F)ccc1F ZINC000849080762 1322070520 /nfs/dbraw/zinc/07/05/20/1322070520.db2.gz QIIRQVYGQSRWGY-UHFFFAOYSA-N 2 2 327.338 3.287 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000850543337 1322263208 /nfs/dbraw/zinc/26/32/08/1322263208.db2.gz HYCPBHQZFGEORF-XHSDSOJGSA-N 2 2 346.462 3.064 20 0 EGADLP OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924622120 1323079428 /nfs/dbraw/zinc/07/94/28/1323079428.db2.gz AFTULMOUWBMPIZ-XLIONFOSSA-N 2 2 327.472 3.352 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024041381 1323093918 /nfs/dbraw/zinc/09/39/18/1323093918.db2.gz YNIOMVORNBPOJJ-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670389 1323104614 /nfs/dbraw/zinc/10/46/14/1323104614.db2.gz ZPGAMIWHCUACQO-HZPDHXFCSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670389 1323104620 /nfs/dbraw/zinc/10/46/20/1323104620.db2.gz ZPGAMIWHCUACQO-HZPDHXFCSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnnn1-c1ccccc1 ZINC000924728493 1323135980 /nfs/dbraw/zinc/13/59/80/1323135980.db2.gz GNILVMLVPZNHSZ-QAPCUYQASA-N 2 2 338.459 3.229 20 0 EGADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000924733166 1323139063 /nfs/dbraw/zinc/13/90/63/1323139063.db2.gz DMSQKZDJHBCDBQ-DFQSSKMNSA-N 2 2 343.515 3.106 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105408 1323148022 /nfs/dbraw/zinc/14/80/22/1323148022.db2.gz JRVHUWSLKOWZIA-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105408 1323148028 /nfs/dbraw/zinc/14/80/28/1323148028.db2.gz JRVHUWSLKOWZIA-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105408 1323148033 /nfs/dbraw/zinc/14/80/33/1323148033.db2.gz JRVHUWSLKOWZIA-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105408 1323148041 /nfs/dbraw/zinc/14/80/41/1323148041.db2.gz JRVHUWSLKOWZIA-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1F ZINC000852744517 1323234664 /nfs/dbraw/zinc/23/46/64/1323234664.db2.gz CKTVJWTVLADPBO-HXUWFJFHSA-N 2 2 344.405 3.184 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1F ZINC000852744517 1323234675 /nfs/dbraw/zinc/23/46/75/1323234675.db2.gz CKTVJWTVLADPBO-HXUWFJFHSA-N 2 2 344.405 3.184 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085177 1323274160 /nfs/dbraw/zinc/27/41/60/1323274160.db2.gz FRCRDRJPURPJLT-WHMCQKABSA-N 2 2 343.515 3.229 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085177 1323274166 /nfs/dbraw/zinc/27/41/66/1323274166.db2.gz FRCRDRJPURPJLT-WHMCQKABSA-N 2 2 343.515 3.229 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493321 1323443064 /nfs/dbraw/zinc/44/30/64/1323443064.db2.gz VRPZIWYKXJOYBC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493321 1323443069 /nfs/dbraw/zinc/44/30/69/1323443069.db2.gz VRPZIWYKXJOYBC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493321 1323443072 /nfs/dbraw/zinc/44/30/72/1323443072.db2.gz VRPZIWYKXJOYBC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493321 1323443078 /nfs/dbraw/zinc/44/30/78/1323443078.db2.gz VRPZIWYKXJOYBC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001024980067 1323812630 /nfs/dbraw/zinc/81/26/30/1323812630.db2.gz CVDVCQBFQPPMKH-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001024980067 1323812635 /nfs/dbraw/zinc/81/26/35/1323812635.db2.gz CVDVCQBFQPPMKH-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000860030154 1329130998 /nfs/dbraw/zinc/13/09/98/1329130998.db2.gz KEUXENOPUIWHJC-CQSZACIVSA-N 2 2 335.319 3.147 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](CC(C)C)C3)ccn12 ZINC001025423644 1324256782 /nfs/dbraw/zinc/25/67/82/1324256782.db2.gz SUYYVYDXWGZSSJ-FUHWJXTLSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](CC(C)C)C3)ccn12 ZINC001025423644 1324256787 /nfs/dbraw/zinc/25/67/87/1324256787.db2.gz SUYYVYDXWGZSSJ-FUHWJXTLSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459727 1324303146 /nfs/dbraw/zinc/30/31/46/1324303146.db2.gz RTXZCSFQNSIRGO-CABCVRRESA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459727 1324303151 /nfs/dbraw/zinc/30/31/51/1324303151.db2.gz RTXZCSFQNSIRGO-CABCVRRESA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480994 1324328651 /nfs/dbraw/zinc/32/86/51/1324328651.db2.gz CSXDWLVYKAURDL-DLBZAZTESA-N 2 2 340.471 3.131 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480994 1324328659 /nfs/dbraw/zinc/32/86/59/1324328659.db2.gz CSXDWLVYKAURDL-DLBZAZTESA-N 2 2 340.471 3.131 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491630 1324342273 /nfs/dbraw/zinc/34/22/73/1324342273.db2.gz XBLLVDSGEQSVNA-DLBZAZTESA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491630 1324342277 /nfs/dbraw/zinc/34/22/77/1324342277.db2.gz XBLLVDSGEQSVNA-DLBZAZTESA-N 2 2 342.487 3.211 20 0 EGADLP COc1cccc(OC)c1OCCCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719393 1329171064 /nfs/dbraw/zinc/17/10/64/1329171064.db2.gz QQUBTUHBVYAOKB-SJORKVTESA-N 2 2 348.487 3.031 20 0 EGADLP COc1cccc(OC)c1OCCCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931719393 1329171067 /nfs/dbraw/zinc/17/10/67/1329171067.db2.gz QQUBTUHBVYAOKB-SJORKVTESA-N 2 2 348.487 3.031 20 0 EGADLP COc1cccc(OC)c1OCCCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931719393 1329171069 /nfs/dbraw/zinc/17/10/69/1329171069.db2.gz QQUBTUHBVYAOKB-SJORKVTESA-N 2 2 348.487 3.031 20 0 EGADLP COc1cccc(OC)c1OCCCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931719393 1329171072 /nfs/dbraw/zinc/17/10/72/1329171072.db2.gz QQUBTUHBVYAOKB-SJORKVTESA-N 2 2 348.487 3.031 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnnn1-c1ccccc1 ZINC000925217194 1325084399 /nfs/dbraw/zinc/08/43/99/1325084399.db2.gz NWIMHXGZWGCGKO-INIZCTEOSA-N 2 2 339.487 3.325 20 0 EGADLP OCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)c(Cl)c1 ZINC000925670335 1325257100 /nfs/dbraw/zinc/25/71/00/1325257100.db2.gz KPPOAWQRWSIKHJ-LBGAXORKSA-N 2 2 341.282 3.003 20 0 EGADLP C[C@H]([NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000963955121 1325450278 /nfs/dbraw/zinc/45/02/78/1325450278.db2.gz JIJQIIUJMHSYOW-DMKPSLHHSA-N 2 2 340.471 3.073 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325383 1325516958 /nfs/dbraw/zinc/51/69/58/1325516958.db2.gz LRQOYLRYKCIESO-AEFFLSMTSA-N 2 2 325.456 3.263 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325383 1325516964 /nfs/dbraw/zinc/51/69/64/1325516964.db2.gz LRQOYLRYKCIESO-AEFFLSMTSA-N 2 2 325.456 3.263 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926349864 1325523600 /nfs/dbraw/zinc/52/36/00/1325523600.db2.gz BMPRXZZXNCLAQK-DNVCBOLYSA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926349864 1325523607 /nfs/dbraw/zinc/52/36/07/1325523607.db2.gz BMPRXZZXNCLAQK-DNVCBOLYSA-N 2 2 329.444 3.246 20 0 EGADLP C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462804 1327712190 /nfs/dbraw/zinc/71/21/90/1327712190.db2.gz KNOPTRYHEZCKHN-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462804 1327712197 /nfs/dbraw/zinc/71/21/97/1327712197.db2.gz KNOPTRYHEZCKHN-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000927065563 1327838300 /nfs/dbraw/zinc/83/83/00/1327838300.db2.gz GENLCTROHBZRRZ-TZIWHRDSSA-N 2 2 344.499 3.379 20 0 EGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC3)nn2C)CC1 ZINC000927100061 1327860700 /nfs/dbraw/zinc/86/07/00/1327860700.db2.gz SHKNUJNNDANFDL-MGPUTAFESA-N 2 2 330.520 3.430 20 0 EGADLP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595146 1327941472 /nfs/dbraw/zinc/94/14/72/1327941472.db2.gz VUNXPXSTBSGPQU-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595146 1327941482 /nfs/dbraw/zinc/94/14/82/1327941482.db2.gz VUNXPXSTBSGPQU-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609267 1327970615 /nfs/dbraw/zinc/97/06/15/1327970615.db2.gz CLTNGZRQJGEYQB-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609267 1327970620 /nfs/dbraw/zinc/97/06/20/1327970620.db2.gz CLTNGZRQJGEYQB-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609267 1327970624 /nfs/dbraw/zinc/97/06/24/1327970624.db2.gz CLTNGZRQJGEYQB-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609267 1327970631 /nfs/dbraw/zinc/97/06/31/1327970631.db2.gz CLTNGZRQJGEYQB-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610388 1327973799 /nfs/dbraw/zinc/97/37/99/1327973799.db2.gz KTSNNPZCCIKXBY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610388 1327973802 /nfs/dbraw/zinc/97/38/02/1327973802.db2.gz KTSNNPZCCIKXBY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610388 1327973807 /nfs/dbraw/zinc/97/38/07/1327973807.db2.gz KTSNNPZCCIKXBY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610388 1327973811 /nfs/dbraw/zinc/97/38/11/1327973811.db2.gz KTSNNPZCCIKXBY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628657 1327991895 /nfs/dbraw/zinc/99/18/95/1327991895.db2.gz HOKFLVITRZYMQL-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628657 1327991904 /nfs/dbraw/zinc/99/19/04/1327991904.db2.gz HOKFLVITRZYMQL-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001027969747 1328442845 /nfs/dbraw/zinc/44/28/45/1328442845.db2.gz UZBRFSPQZCDKNA-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001027969747 1328442849 /nfs/dbraw/zinc/44/28/49/1328442849.db2.gz UZBRFSPQZCDKNA-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271528 1330088620 /nfs/dbraw/zinc/08/86/20/1330088620.db2.gz MYCMZKSDKMOMJM-RTWAWAEBSA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271528 1330088622 /nfs/dbraw/zinc/08/86/22/1330088622.db2.gz MYCMZKSDKMOMJM-RTWAWAEBSA-N 2 2 339.483 3.005 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Br)c2)CC1 ZINC000866596579 1330131522 /nfs/dbraw/zinc/13/15/22/1330131522.db2.gz HORRFQCMTNWLPQ-INIZCTEOSA-N 2 2 341.293 3.211 20 0 EGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590986 1330130282 /nfs/dbraw/zinc/13/02/82/1330130282.db2.gz ZNLUGIYSBGLMLM-AWEZNQCLSA-N 2 2 339.886 3.252 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947441889 1333128924 /nfs/dbraw/zinc/12/89/24/1333128924.db2.gz MDPZDDORJQHKOJ-CRAIPNDOSA-N 2 2 347.503 3.038 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947441889 1333128929 /nfs/dbraw/zinc/12/89/29/1333128929.db2.gz MDPZDDORJQHKOJ-CRAIPNDOSA-N 2 2 347.503 3.038 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552973 1333571723 /nfs/dbraw/zinc/57/17/23/1333571723.db2.gz CVZWTFZRWDTINS-HZPDHXFCSA-N 2 2 346.450 3.238 20 0 EGADLP CC[C@@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552973 1333571727 /nfs/dbraw/zinc/57/17/27/1333571727.db2.gz CVZWTFZRWDTINS-HZPDHXFCSA-N 2 2 346.450 3.238 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948553915 1333572827 /nfs/dbraw/zinc/57/28/27/1333572827.db2.gz OGRFFNABYTVQTF-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948553915 1333572828 /nfs/dbraw/zinc/57/28/28/1333572828.db2.gz OGRFFNABYTVQTF-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948554646 1333573018 /nfs/dbraw/zinc/57/30/18/1333573018.db2.gz YGRBRUMOJBRYBU-YFUKIHRRSA-N 2 2 346.862 3.242 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948554646 1333573019 /nfs/dbraw/zinc/57/30/19/1333573019.db2.gz YGRBRUMOJBRYBU-YFUKIHRRSA-N 2 2 346.862 3.242 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616594 1333597890 /nfs/dbraw/zinc/59/78/90/1333597890.db2.gz JMNOLOKBJTUJJZ-SJORKVTESA-N 2 2 342.487 3.307 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616594 1333597893 /nfs/dbraw/zinc/59/78/93/1333597893.db2.gz JMNOLOKBJTUJJZ-SJORKVTESA-N 2 2 342.487 3.307 20 0 EGADLP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1C[NH+](CC=C(C)C)C1 ZINC000950330425 1334042897 /nfs/dbraw/zinc/04/28/97/1334042897.db2.gz FUKYKTFFQMRAKE-SFHVURJKSA-N 2 2 347.547 3.140 20 0 EGADLP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1C[NH+](CC=C(C)C)C1 ZINC000950330425 1334042899 /nfs/dbraw/zinc/04/28/99/1334042899.db2.gz FUKYKTFFQMRAKE-SFHVURJKSA-N 2 2 347.547 3.140 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1)[NH+](C)C ZINC000950555718 1334088433 /nfs/dbraw/zinc/08/84/33/1334088433.db2.gz OMMSMGJIUSOHBK-XLIONFOSSA-N 2 2 345.531 3.355 20 0 EGADLP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965340 1336104174 /nfs/dbraw/zinc/10/41/74/1336104174.db2.gz MLNCBRVWNPSYOO-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965340 1336104176 /nfs/dbraw/zinc/10/41/76/1336104176.db2.gz MLNCBRVWNPSYOO-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CCc3ccccc3)C2)c(C)[nH+]1 ZINC000969408677 1336207658 /nfs/dbraw/zinc/20/76/58/1336207658.db2.gz RVQTWNMLWPZWRW-LJQANCHMSA-N 2 2 337.467 3.054 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CC3=CCCCC3)C2)c(C)[nH+]1 ZINC000969408027 1336207673 /nfs/dbraw/zinc/20/76/73/1336207673.db2.gz CYWMXWQOYJOVAB-GOSISDBHSA-N 2 2 327.472 3.311 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006194728 1336465169 /nfs/dbraw/zinc/46/51/69/1336465169.db2.gz ZLBSFWCJMFQUTC-UHFFFAOYSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001006292038 1336484250 /nfs/dbraw/zinc/48/42/50/1336484250.db2.gz KYWIPYVRBFUXQI-UHFFFAOYSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642760 1336682130 /nfs/dbraw/zinc/68/21/30/1336682130.db2.gz VICBIIPPANMCFG-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642760 1336682133 /nfs/dbraw/zinc/68/21/33/1336682133.db2.gz VICBIIPPANMCFG-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205914829 1370908117 /nfs/dbraw/zinc/90/81/17/1370908117.db2.gz OEXQGYZSIZHKEH-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205914829 1370908121 /nfs/dbraw/zinc/90/81/21/1370908121.db2.gz OEXQGYZSIZHKEH-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072824 1336963955 /nfs/dbraw/zinc/96/39/55/1336963955.db2.gz KAHGRWDRSMVDLD-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072824 1336963959 /nfs/dbraw/zinc/96/39/59/1336963959.db2.gz KAHGRWDRSMVDLD-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941963 1337961300 /nfs/dbraw/zinc/96/13/00/1337961300.db2.gz QPLVGNQKBALFJJ-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941963 1337961303 /nfs/dbraw/zinc/96/13/03/1337961303.db2.gz QPLVGNQKBALFJJ-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017142650 1338894446 /nfs/dbraw/zinc/89/44/46/1338894446.db2.gz QFPIMJNSKWHMEI-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017142650 1338894449 /nfs/dbraw/zinc/89/44/49/1338894449.db2.gz QFPIMJNSKWHMEI-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017142650 1338894453 /nfs/dbraw/zinc/89/44/53/1338894453.db2.gz QFPIMJNSKWHMEI-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017142650 1338894455 /nfs/dbraw/zinc/89/44/55/1338894455.db2.gz QFPIMJNSKWHMEI-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001017172260 1338917317 /nfs/dbraw/zinc/91/73/17/1338917317.db2.gz KMDCQRQEKZQWOC-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001017172260 1338917319 /nfs/dbraw/zinc/91/73/19/1338917319.db2.gz KMDCQRQEKZQWOC-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221973 1338961917 /nfs/dbraw/zinc/96/19/17/1338961917.db2.gz KJSPBIBZWVKKKD-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221973 1338961921 /nfs/dbraw/zinc/96/19/21/1338961921.db2.gz KJSPBIBZWVKKKD-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP O=C(NC1C[NH+](CCC2CCCCCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001030618396 1341200855 /nfs/dbraw/zinc/20/08/55/1341200855.db2.gz GNWUAALTUMGMBS-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(NCC1C[NH+](CCCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772311 1341399612 /nfs/dbraw/zinc/39/96/12/1341399612.db2.gz HHUIFEJFLFGZJY-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001033192851 1341749406 /nfs/dbraw/zinc/74/94/06/1341749406.db2.gz XVVHCUJWCUASGW-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001033192851 1341749407 /nfs/dbraw/zinc/74/94/07/1341749407.db2.gz XVVHCUJWCUASGW-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033592252 1341888222 /nfs/dbraw/zinc/88/82/22/1341888222.db2.gz YCJKPBWQMJNTKD-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033592252 1341888224 /nfs/dbraw/zinc/88/82/24/1341888224.db2.gz YCJKPBWQMJNTKD-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873139 1342051951 /nfs/dbraw/zinc/05/19/51/1342051951.db2.gz MZVNCPSVVQDEFQ-GOEBONIOSA-N 2 2 328.460 3.145 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873139 1342051952 /nfs/dbraw/zinc/05/19/52/1342051952.db2.gz MZVNCPSVVQDEFQ-GOEBONIOSA-N 2 2 328.460 3.145 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271474 1342362128 /nfs/dbraw/zinc/36/21/28/1342362128.db2.gz NIBSONNJNZVQGM-GDBMZVCRSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271474 1342362132 /nfs/dbraw/zinc/36/21/32/1342362132.db2.gz NIBSONNJNZVQGM-GDBMZVCRSA-N 2 2 328.460 3.193 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001034743986 1342731962 /nfs/dbraw/zinc/73/19/62/1342731962.db2.gz GBOWWQMEBVUMKZ-IYARVYRRSA-N 2 2 346.519 3.330 20 0 EGADLP CC(C)[NH2+]Cc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001034830900 1342791858 /nfs/dbraw/zinc/79/18/58/1342791858.db2.gz GRTCIOGTMLXOQD-UHFFFAOYSA-N 2 2 348.450 3.300 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231040 1343052157 /nfs/dbraw/zinc/05/21/57/1343052157.db2.gz HCSHYWPPXVFBIQ-ROUUACIJSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231040 1343052160 /nfs/dbraw/zinc/05/21/60/1343052160.db2.gz HCSHYWPPXVFBIQ-ROUUACIJSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035250661 1343075363 /nfs/dbraw/zinc/07/53/63/1343075363.db2.gz RVAZPTQXDIDXFO-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001035250661 1343075370 /nfs/dbraw/zinc/07/53/70/1343075370.db2.gz RVAZPTQXDIDXFO-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@H](CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1)n1cc[nH+]c1 ZINC001035807564 1343208192 /nfs/dbraw/zinc/20/81/92/1343208192.db2.gz JOKZJKWWNYKRAE-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001036277510 1343392359 /nfs/dbraw/zinc/39/23/59/1343392359.db2.gz ZBRWVMGIJYIPRC-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001036414477 1343472801 /nfs/dbraw/zinc/47/28/01/1343472801.db2.gz OPESAKOIZRSYBQ-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001036414477 1343472804 /nfs/dbraw/zinc/47/28/04/1343472804.db2.gz OPESAKOIZRSYBQ-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036567328 1343557461 /nfs/dbraw/zinc/55/74/61/1343557461.db2.gz FQSBYSDCMWORIC-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC1CCCCCC1 ZINC001036579600 1343563412 /nfs/dbraw/zinc/56/34/12/1343563412.db2.gz PGTBKRIWKUZMMA-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037848701 1344135739 /nfs/dbraw/zinc/13/57/39/1344135739.db2.gz CPFSVMSOMYNDKD-HKUYNNGSSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037848701 1344135744 /nfs/dbraw/zinc/13/57/44/1344135744.db2.gz CPFSVMSOMYNDKD-HKUYNNGSSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037852366 1344138811 /nfs/dbraw/zinc/13/88/11/1344138811.db2.gz LEJQPCZNOKPAIE-IEBWSBKVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037852366 1344138814 /nfs/dbraw/zinc/13/88/14/1344138814.db2.gz LEJQPCZNOKPAIE-IEBWSBKVSA-N 2 2 346.519 3.139 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038314139 1344375142 /nfs/dbraw/zinc/37/51/42/1344375142.db2.gz HPOBDCNCVQMBJH-KRWDZBQOSA-N 2 2 347.528 3.114 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038314139 1344375144 /nfs/dbraw/zinc/37/51/44/1344375144.db2.gz HPOBDCNCVQMBJH-KRWDZBQOSA-N 2 2 347.528 3.114 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039135229 1344813715 /nfs/dbraw/zinc/81/37/15/1344813715.db2.gz FQBAJFPYWFCSQA-INIZCTEOSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039135229 1344813721 /nfs/dbraw/zinc/81/37/21/1344813721.db2.gz FQBAJFPYWFCSQA-INIZCTEOSA-N 2 2 340.471 3.145 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236533 1344957955 /nfs/dbraw/zinc/95/79/55/1344957955.db2.gz DEWWWOYUGWFRNP-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236533 1344957956 /nfs/dbraw/zinc/95/79/56/1344957956.db2.gz DEWWWOYUGWFRNP-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235470 1345388475 /nfs/dbraw/zinc/38/84/75/1345388475.db2.gz CDZXQYYRSJCABL-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235470 1345388476 /nfs/dbraw/zinc/38/84/76/1345388476.db2.gz CDZXQYYRSJCABL-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235470 1345388479 /nfs/dbraw/zinc/38/84/79/1345388479.db2.gz CDZXQYYRSJCABL-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235470 1345388481 /nfs/dbraw/zinc/38/84/81/1345388481.db2.gz CDZXQYYRSJCABL-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293710 1345417749 /nfs/dbraw/zinc/41/77/49/1345417749.db2.gz ZMZBFJXHAJVQAX-FQEVSTJZSA-N 2 2 340.471 3.063 20 0 EGADLP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293710 1345417750 /nfs/dbraw/zinc/41/77/50/1345417750.db2.gz ZMZBFJXHAJVQAX-FQEVSTJZSA-N 2 2 340.471 3.063 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040511611 1345526999 /nfs/dbraw/zinc/52/69/99/1345526999.db2.gz ZKCVMHXXTHKASU-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040511611 1345527002 /nfs/dbraw/zinc/52/70/02/1345527002.db2.gz ZKCVMHXXTHKASU-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116091 1345948634 /nfs/dbraw/zinc/94/86/34/1345948634.db2.gz HESVJANNCKXSQO-BEFAXECRSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116091 1345948636 /nfs/dbraw/zinc/94/86/36/1345948636.db2.gz HESVJANNCKXSQO-BEFAXECRSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042118019 1345948987 /nfs/dbraw/zinc/94/89/87/1345948987.db2.gz UUIGWFWAYVEEAD-KXBFYZLASA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042118019 1345948988 /nfs/dbraw/zinc/94/89/88/1345948988.db2.gz UUIGWFWAYVEEAD-KXBFYZLASA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCCC2CCCC2)C1 ZINC001043987656 1346230166 /nfs/dbraw/zinc/23/01/66/1346230166.db2.gz GATJCVGDXKWHQW-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044677341 1346401315 /nfs/dbraw/zinc/40/13/15/1346401315.db2.gz LKNSKKUOBXHJHG-WMZOPIPTSA-N 2 2 348.450 3.117 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001045128533 1346500442 /nfs/dbraw/zinc/50/04/42/1346500442.db2.gz JIWDXKMAUSSMCT-SFHVURJKSA-N 2 2 329.488 3.391 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001045225299 1346535106 /nfs/dbraw/zinc/53/51/06/1346535106.db2.gz XSPYWNWMFJTFSY-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958666 1346793701 /nfs/dbraw/zinc/79/37/01/1346793701.db2.gz VWEVZNODQPOXAH-UYAOXDASSA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958666 1346793702 /nfs/dbraw/zinc/79/37/02/1346793702.db2.gz VWEVZNODQPOXAH-UYAOXDASSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C)CC[N@H+](CCC(C)(C)C)C3)ccn12 ZINC001046314095 1346930892 /nfs/dbraw/zinc/93/08/92/1346930892.db2.gz BOCLHPCVGGMBHU-HXUWFJFHSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C)CC[N@@H+](CCC(C)(C)C)C3)ccn12 ZINC001046314095 1346930894 /nfs/dbraw/zinc/93/08/94/1346930894.db2.gz BOCLHPCVGGMBHU-HXUWFJFHSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CCCC2CCCC2)C1 ZINC001046388776 1346958847 /nfs/dbraw/zinc/95/88/47/1346958847.db2.gz XCXLOUCBJSGSPE-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046388776 1346958849 /nfs/dbraw/zinc/95/88/49/1346958849.db2.gz XCXLOUCBJSGSPE-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](CCCC2CCCC2)C1 ZINC001046388776 1346958853 /nfs/dbraw/zinc/95/88/53/1346958853.db2.gz XCXLOUCBJSGSPE-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046388776 1346958856 /nfs/dbraw/zinc/95/88/56/1346958856.db2.gz XCXLOUCBJSGSPE-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079698191 1357350361 /nfs/dbraw/zinc/35/03/61/1357350361.db2.gz NYFBPBQVYYIKDY-RDTXWAMCSA-N 2 2 342.487 3.129 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001079698191 1357350362 /nfs/dbraw/zinc/35/03/62/1357350362.db2.gz NYFBPBQVYYIKDY-RDTXWAMCSA-N 2 2 342.487 3.129 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001047921729 1347410061 /nfs/dbraw/zinc/41/00/61/1347410061.db2.gz RHCLQILEWDCRFA-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478142 1347868462 /nfs/dbraw/zinc/86/84/62/1347868462.db2.gz LNPOQDHOPOFFJG-ROUUACIJSA-N 2 2 340.471 3.122 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478142 1347868463 /nfs/dbraw/zinc/86/84/63/1347868463.db2.gz LNPOQDHOPOFFJG-ROUUACIJSA-N 2 2 340.471 3.122 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544474 1347900299 /nfs/dbraw/zinc/90/02/99/1347900299.db2.gz DBJHBCAHRWRXHA-SZMVWBNQSA-N 2 2 346.519 3.038 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544474 1347900300 /nfs/dbraw/zinc/90/03/00/1347900300.db2.gz DBJHBCAHRWRXHA-SZMVWBNQSA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551735 1347904351 /nfs/dbraw/zinc/90/43/51/1347904351.db2.gz IPFTUBGBXXSVGO-RTBURBONSA-N 2 2 338.455 3.208 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551735 1347904353 /nfs/dbraw/zinc/90/43/53/1347904353.db2.gz IPFTUBGBXXSVGO-RTBURBONSA-N 2 2 338.455 3.208 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173905 1349175150 /nfs/dbraw/zinc/17/51/50/1349175150.db2.gz VTMIRCKRQJBGQY-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173905 1349175152 /nfs/dbraw/zinc/17/51/52/1349175152.db2.gz VTMIRCKRQJBGQY-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1ccccc1C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001054798118 1349465249 /nfs/dbraw/zinc/46/52/49/1349465249.db2.gz QARJJOAHTKARST-YWZLYKJASA-N 2 2 348.450 3.122 20 0 EGADLP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711908 1354869631 /nfs/dbraw/zinc/86/96/31/1354869631.db2.gz GIWBDNXEBHOENR-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711908 1354869635 /nfs/dbraw/zinc/86/96/35/1354869635.db2.gz GIWBDNXEBHOENR-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP CC(C)(C)[C@]1(C[NH2+]Cc2ncc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001183179201 1387273159 /nfs/dbraw/zinc/27/31/59/1387273159.db2.gz BACKPKVICKIDGR-FQEVSTJZSA-N 2 2 326.488 3.438 20 0 EGADLP CC(C)(C)[C@]1(C[NH2+]Cc2ncc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001183179201 1387273163 /nfs/dbraw/zinc/27/31/63/1387273163.db2.gz BACKPKVICKIDGR-FQEVSTJZSA-N 2 2 326.488 3.438 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001074043088 1356049849 /nfs/dbraw/zinc/04/98/49/1356049849.db2.gz VCAIFGVCCMGVTJ-LJQANCHMSA-N 2 2 344.503 3.087 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001074043088 1356049851 /nfs/dbraw/zinc/04/98/51/1356049851.db2.gz VCAIFGVCCMGVTJ-LJQANCHMSA-N 2 2 344.503 3.087 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1CC ZINC001323171046 1387306180 /nfs/dbraw/zinc/30/61/80/1387306180.db2.gz SKKRIRNXGKNABU-HKUYNNGSSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)c[nH+]1 ZINC001085241789 1358441210 /nfs/dbraw/zinc/44/12/10/1358441210.db2.gz OBIDRGVWCLIJDR-QZTJIDSGSA-N 2 2 346.519 3.134 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001085439460 1358500274 /nfs/dbraw/zinc/50/02/74/1358500274.db2.gz XKPCIRQRWBWGBV-IPMKNSEASA-N 2 2 340.471 3.051 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673533 1358677349 /nfs/dbraw/zinc/67/73/49/1358677349.db2.gz ZDXMFMIYKSCREC-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673533 1358677350 /nfs/dbraw/zinc/67/73/50/1358677350.db2.gz ZDXMFMIYKSCREC-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@@H+]1CCC(C)C ZINC001087571818 1359536671 /nfs/dbraw/zinc/53/66/71/1359536671.db2.gz NQIGGPAJUMNQOF-ZWKOTPCHSA-N 2 2 342.487 3.272 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@H+]1CCC(C)C ZINC001087571818 1359536674 /nfs/dbraw/zinc/53/66/74/1359536674.db2.gz NQIGGPAJUMNQOF-ZWKOTPCHSA-N 2 2 342.487 3.272 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CC1CCCCC1 ZINC001087609740 1359552528 /nfs/dbraw/zinc/55/25/28/1359552528.db2.gz BAGOTCWNKFGJAH-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CC1CCCCC1 ZINC001087609740 1359552533 /nfs/dbraw/zinc/55/25/33/1359552533.db2.gz BAGOTCWNKFGJAH-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CC1CCCCC1 ZINC001087609740 1359552540 /nfs/dbraw/zinc/55/25/40/1359552540.db2.gz BAGOTCWNKFGJAH-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CC1CCCCC1 ZINC001087609740 1359552542 /nfs/dbraw/zinc/55/25/42/1359552542.db2.gz BAGOTCWNKFGJAH-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CC1CCC(C)CC1 ZINC001087810446 1359659378 /nfs/dbraw/zinc/65/93/78/1359659378.db2.gz VCEGEZHBLJFJQP-HJRFIPHPSA-N 2 2 346.519 3.056 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CC1CCC(C)CC1 ZINC001087810446 1359659380 /nfs/dbraw/zinc/65/93/80/1359659380.db2.gz VCEGEZHBLJFJQP-HJRFIPHPSA-N 2 2 346.519 3.056 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088356007 1359839255 /nfs/dbraw/zinc/83/92/55/1359839255.db2.gz NXGZRONONFYGOE-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184273196 1387421966 /nfs/dbraw/zinc/42/19/66/1387421966.db2.gz JPTFBAIFNHLABK-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)[NH2+][C@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088408260 1359879350 /nfs/dbraw/zinc/87/93/50/1359879350.db2.gz QUDACIDJVAPGHV-SFHVURJKSA-N 2 2 340.471 3.255 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089169211 1360223800 /nfs/dbraw/zinc/22/38/00/1360223800.db2.gz NJODNIHTFIYKSS-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089169211 1360223804 /nfs/dbraw/zinc/22/38/04/1360223804.db2.gz NJODNIHTFIYKSS-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001089235085 1360273706 /nfs/dbraw/zinc/27/37/06/1360273706.db2.gz KREJOJVTCYFKJX-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001089235085 1360273707 /nfs/dbraw/zinc/27/37/07/1360273707.db2.gz KREJOJVTCYFKJX-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089415736 1360409853 /nfs/dbraw/zinc/40/98/53/1360409853.db2.gz BRLBMAZWPSLTQP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089415736 1360409855 /nfs/dbraw/zinc/40/98/55/1360409855.db2.gz BRLBMAZWPSLTQP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442200 1360431966 /nfs/dbraw/zinc/43/19/66/1360431966.db2.gz ONTWGZRGBGQTFT-MRXNPFEDSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442200 1360431967 /nfs/dbraw/zinc/43/19/67/1360431967.db2.gz ONTWGZRGBGQTFT-MRXNPFEDSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@@H]([NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001091098235 1360991855 /nfs/dbraw/zinc/99/18/55/1360991855.db2.gz HNXDEGWHSMNUAO-KSTDHSDQSA-N 2 2 348.450 3.422 20 0 EGADLP Cc1csc(CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC001324000874 1387506545 /nfs/dbraw/zinc/50/65/45/1387506545.db2.gz VDRFIOWSLZNIMD-UHFFFAOYSA-N 2 2 335.439 3.391 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449564 1361805097 /nfs/dbraw/zinc/80/50/97/1361805097.db2.gz RATLVNCGDCBNRT-UYAOXDASSA-N 2 2 340.471 3.337 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449564 1361805099 /nfs/dbraw/zinc/80/50/99/1361805099.db2.gz RATLVNCGDCBNRT-UYAOXDASSA-N 2 2 340.471 3.337 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184800551 1387543178 /nfs/dbraw/zinc/54/31/78/1387543178.db2.gz XBZGTBGBHSBKRR-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264739 1363722783 /nfs/dbraw/zinc/72/27/83/1363722783.db2.gz XOGZAWCBAIJFAI-FUHWJXTLSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264739 1363722787 /nfs/dbraw/zinc/72/27/87/1363722787.db2.gz XOGZAWCBAIJFAI-FUHWJXTLSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264739 1363722789 /nfs/dbraw/zinc/72/27/89/1363722789.db2.gz XOGZAWCBAIJFAI-FUHWJXTLSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264739 1363722793 /nfs/dbraw/zinc/72/27/93/1363722793.db2.gz XOGZAWCBAIJFAI-FUHWJXTLSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264581 1363723001 /nfs/dbraw/zinc/72/30/01/1363723001.db2.gz VOSPCVIIYUQJOC-FUHWJXTLSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264581 1363723005 /nfs/dbraw/zinc/72/30/05/1363723005.db2.gz VOSPCVIIYUQJOC-FUHWJXTLSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264581 1363723007 /nfs/dbraw/zinc/72/30/07/1363723007.db2.gz VOSPCVIIYUQJOC-FUHWJXTLSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264581 1363723011 /nfs/dbraw/zinc/72/30/11/1363723011.db2.gz VOSPCVIIYUQJOC-FUHWJXTLSA-N 2 2 346.519 3.161 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100551323 1364158177 /nfs/dbraw/zinc/15/81/77/1364158177.db2.gz DZWUJPFCKJEDAJ-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536608 1364605331 /nfs/dbraw/zinc/60/53/31/1364605331.db2.gz QLAXVQVBVGKSBK-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546480 1364610513 /nfs/dbraw/zinc/61/05/13/1364610513.db2.gz CQDKDAWEJUEXCN-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546480 1364610519 /nfs/dbraw/zinc/61/05/19/1364610519.db2.gz CQDKDAWEJUEXCN-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102087933 1364848182 /nfs/dbraw/zinc/84/81/82/1364848182.db2.gz CASJEOUWSMNDOK-GDBMZVCRSA-N 2 2 328.460 3.051 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102087933 1364848184 /nfs/dbraw/zinc/84/81/84/1364848184.db2.gz CASJEOUWSMNDOK-GDBMZVCRSA-N 2 2 328.460 3.051 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185491928 1387730866 /nfs/dbraw/zinc/73/08/66/1387730866.db2.gz JRFUBOZRLOFKLB-SJORKVTESA-N 2 2 348.535 3.342 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738223 1366151050 /nfs/dbraw/zinc/15/10/50/1366151050.db2.gz LWKBKBDVJCLZNC-ZHALLVOQSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097347 1366325607 /nfs/dbraw/zinc/32/56/07/1366325607.db2.gz OGZXKZHSFHLDEY-RTBURBONSA-N 2 2 348.535 3.174 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455206 1366701056 /nfs/dbraw/zinc/70/10/56/1366701056.db2.gz FVSWPMXLWOOEMX-JCKWVBRZSA-N 2 2 331.504 3.351 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001109773021 1367315129 /nfs/dbraw/zinc/31/51/29/1367315129.db2.gz BURNSLQBDPNPMK-NQYYFHDYSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001109773021 1367315133 /nfs/dbraw/zinc/31/51/33/1367315133.db2.gz BURNSLQBDPNPMK-NQYYFHDYSA-N 2 2 344.503 3.136 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125803 1368161946 /nfs/dbraw/zinc/16/19/46/1368161946.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125803 1368161948 /nfs/dbraw/zinc/16/19/48/1368161948.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125803 1368161952 /nfs/dbraw/zinc/16/19/52/1368161952.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125803 1368161955 /nfs/dbraw/zinc/16/19/55/1368161955.db2.gz NDSLUUWPVIJMBK-FGSRJLNGSA-N 2 2 344.503 3.056 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC001195403943 1368432387 /nfs/dbraw/zinc/43/23/87/1368432387.db2.gz OFTISKWUQAMDIU-QFIPXVFZSA-N 2 2 347.462 3.447 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC001195403943 1368432392 /nfs/dbraw/zinc/43/23/92/1368432392.db2.gz OFTISKWUQAMDIU-QFIPXVFZSA-N 2 2 347.462 3.447 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773673 1368455483 /nfs/dbraw/zinc/45/54/83/1368455483.db2.gz JANGZBXJOYKARL-XQDXJYKWSA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773673 1368455485 /nfs/dbraw/zinc/45/54/85/1368455485.db2.gz JANGZBXJOYKARL-XQDXJYKWSA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773673 1368455488 /nfs/dbraw/zinc/45/54/88/1368455488.db2.gz JANGZBXJOYKARL-XQDXJYKWSA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773673 1368455490 /nfs/dbraw/zinc/45/54/90/1368455490.db2.gz JANGZBXJOYKARL-XQDXJYKWSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885603 1368529701 /nfs/dbraw/zinc/52/97/01/1368529701.db2.gz VMYHVGOSRNQUGP-JUYULLQASA-N 2 2 344.503 3.161 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885603 1368529705 /nfs/dbraw/zinc/52/97/05/1368529705.db2.gz VMYHVGOSRNQUGP-JUYULLQASA-N 2 2 344.503 3.161 20 0 EGADLP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001200863734 1369440501 /nfs/dbraw/zinc/44/05/01/1369440501.db2.gz IAJZMTSGSHRXSQ-LJQANCHMSA-N 2 2 332.488 3.066 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510094 1369561689 /nfs/dbraw/zinc/56/16/89/1369561689.db2.gz XDJPVLPEFFDZPJ-YXJHDRRASA-N 2 2 337.533 3.020 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510094 1369561692 /nfs/dbraw/zinc/56/16/92/1369561692.db2.gz XDJPVLPEFFDZPJ-YXJHDRRASA-N 2 2 337.533 3.020 20 0 EGADLP CC[C@H](C)C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510094 1369561694 /nfs/dbraw/zinc/56/16/94/1369561694.db2.gz XDJPVLPEFFDZPJ-YXJHDRRASA-N 2 2 337.533 3.020 20 0 EGADLP CC[C@H](C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510094 1369561699 /nfs/dbraw/zinc/56/16/99/1369561699.db2.gz XDJPVLPEFFDZPJ-YXJHDRRASA-N 2 2 337.533 3.020 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201566710 1369578561 /nfs/dbraw/zinc/57/85/61/1369578561.db2.gz UPUDZEOGIJOGDK-SFHVURJKSA-N 2 2 347.551 3.339 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201566710 1369578566 /nfs/dbraw/zinc/57/85/66/1369578566.db2.gz UPUDZEOGIJOGDK-SFHVURJKSA-N 2 2 347.551 3.339 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCCc2nc(C)cs2)[C@@H]2CCC[NH2+]2)cc1 ZINC001325716124 1388033571 /nfs/dbraw/zinc/03/35/71/1388033571.db2.gz FPTQRMYDUNOVTD-PKOBYXMFSA-N 2 2 345.512 3.476 20 0 EGADLP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161135 1370005580 /nfs/dbraw/zinc/00/55/80/1370005580.db2.gz PEQKYZSOMCEUDD-IRXDYDNUSA-N 2 2 340.471 3.011 20 0 EGADLP OCc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001203192374 1370018235 /nfs/dbraw/zinc/01/82/35/1370018235.db2.gz HFOHYAVWSRGOLO-UHFFFAOYSA-N 2 2 336.479 3.202 20 0 EGADLP OCc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001203192374 1370018238 /nfs/dbraw/zinc/01/82/38/1370018238.db2.gz HFOHYAVWSRGOLO-UHFFFAOYSA-N 2 2 336.479 3.202 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)cc(Cl)c1 ZINC001203810523 1370272957 /nfs/dbraw/zinc/27/29/57/1370272957.db2.gz ZFSAGGWCRZDRID-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)cc(Cl)c1 ZINC001203810523 1370272981 /nfs/dbraw/zinc/27/29/81/1370272981.db2.gz ZFSAGGWCRZDRID-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP Cc1cccc(C[NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)c1 ZINC001203891001 1370300962 /nfs/dbraw/zinc/30/09/62/1370300962.db2.gz NOQDBSVECUUVJR-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP Cc1cccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)c1 ZINC001203891001 1370300969 /nfs/dbraw/zinc/30/09/69/1370300969.db2.gz NOQDBSVECUUVJR-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCO5)C[C@@H]3C2)c1 ZINC001204053831 1370361577 /nfs/dbraw/zinc/36/15/77/1370361577.db2.gz NXMUYNGYVAQLII-HZPDHXFCSA-N 2 2 342.464 3.041 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001204069805 1370367340 /nfs/dbraw/zinc/36/73/40/1370367340.db2.gz VNLIZMGGJGOJNV-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP Cc1cccc2[nH+]cc(Nc3cccc(CN4CC[NH+](C)CC4)c3)n21 ZINC001204518035 1370501050 /nfs/dbraw/zinc/50/10/50/1370501050.db2.gz NHYXONLZEOKNKN-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP Cc1cccc2[nH+]cc(Nc3cccc(C[NH+]4CCN(C)CC4)c3)n21 ZINC001204518035 1370501056 /nfs/dbraw/zinc/50/10/56/1370501056.db2.gz NHYXONLZEOKNKN-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115567047 1370567303 /nfs/dbraw/zinc/56/73/03/1370567303.db2.gz LTUWXHCTCLKPBK-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115567047 1370567307 /nfs/dbraw/zinc/56/73/07/1370567307.db2.gz LTUWXHCTCLKPBK-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP COc1cc(F)ccc1-c1cccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204912377 1370603461 /nfs/dbraw/zinc/60/34/61/1370603461.db2.gz UUSABOZSUFWKRL-LJQANCHMSA-N 2 2 326.415 3.424 20 0 EGADLP COc1cc(F)ccc1-c1cccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c1 ZINC001204912377 1370603465 /nfs/dbraw/zinc/60/34/65/1370603465.db2.gz UUSABOZSUFWKRL-LJQANCHMSA-N 2 2 326.415 3.424 20 0 EGADLP O=C(NCC1([NH2+]C/C=C\Cl)CCCCC1)c1cccc2[nH+]ccn21 ZINC001115627434 1370621342 /nfs/dbraw/zinc/62/13/42/1370621342.db2.gz FAJJXTQPFBSLKA-YHYXMXQVSA-N 2 2 346.862 3.109 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2c(F)ccc(Cl)c2Br)CC1 ZINC001205047199 1370637718 /nfs/dbraw/zinc/63/77/18/1370637718.db2.gz QWKJTHRCCPUZNF-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725069 1370705308 /nfs/dbraw/zinc/70/53/08/1370705308.db2.gz ISISXLJAMNKFFA-HZPDHXFCSA-N 2 2 346.519 3.284 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725114 1370705980 /nfs/dbraw/zinc/70/59/80/1370705980.db2.gz KYHFOZPTOYXHHX-MRXNPFEDSA-N 2 2 346.519 3.284 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205289207 1370707943 /nfs/dbraw/zinc/70/79/43/1370707943.db2.gz UXJHXGGGANFNHS-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205289207 1370707948 /nfs/dbraw/zinc/70/79/48/1370707948.db2.gz UXJHXGGGANFNHS-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205290576 1370708432 /nfs/dbraw/zinc/70/84/32/1370708432.db2.gz LDXGKCOMHZVJAO-OAHLLOKOSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC(C[NH2+]CCC(C)C)CC3)ccn12 ZINC001205291234 1370708986 /nfs/dbraw/zinc/70/89/86/1370708986.db2.gz SQAZNXUUCSPAEO-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318831 1370721232 /nfs/dbraw/zinc/72/12/32/1370721232.db2.gz WXGZFVKSPOIHIJ-CMPLNLGQSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318831 1370721234 /nfs/dbraw/zinc/72/12/34/1370721234.db2.gz WXGZFVKSPOIHIJ-CMPLNLGQSA-N 2 2 329.257 3.313 20 0 EGADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205377178 1370735842 /nfs/dbraw/zinc/73/58/42/1370735842.db2.gz SWILCIDLZTXYHV-AWEZNQCLSA-N 2 2 328.909 3.131 20 0 EGADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205377178 1370735847 /nfs/dbraw/zinc/73/58/47/1370735847.db2.gz SWILCIDLZTXYHV-AWEZNQCLSA-N 2 2 328.909 3.131 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC(C[NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001205500259 1370773722 /nfs/dbraw/zinc/77/37/22/1370773722.db2.gz NQEILAAESITIJG-IBGZPJMESA-N 2 2 346.519 3.099 20 0 EGADLP CCC(CC)C[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205522447 1370779635 /nfs/dbraw/zinc/77/96/35/1370779635.db2.gz SXZDWHYUKJMANO-UHFFFAOYSA-N 2 2 342.487 3.441 20 0 EGADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205777919 1370866411 /nfs/dbraw/zinc/86/64/11/1370866411.db2.gz DIOVDGLVCIFAJB-LBPRGKRZSA-N 2 2 338.320 3.310 20 0 EGADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc(OC(F)(F)F)c1 ZINC001205777919 1370866416 /nfs/dbraw/zinc/86/64/16/1370866416.db2.gz DIOVDGLVCIFAJB-LBPRGKRZSA-N 2 2 338.320 3.310 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206185186 1370985224 /nfs/dbraw/zinc/98/52/24/1370985224.db2.gz LLOSDMXAXULKCX-RYUDHWBXSA-N 2 2 335.286 3.334 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206185186 1370985226 /nfs/dbraw/zinc/98/52/26/1370985226.db2.gz LLOSDMXAXULKCX-RYUDHWBXSA-N 2 2 335.286 3.334 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001206189539 1370988053 /nfs/dbraw/zinc/98/80/53/1370988053.db2.gz XEDZFFYMONLFTQ-QWHCGFSZSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001206189539 1370988056 /nfs/dbraw/zinc/98/80/56/1370988056.db2.gz XEDZFFYMONLFTQ-QWHCGFSZSA-N 2 2 340.748 3.500 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Br ZINC001206211045 1370994395 /nfs/dbraw/zinc/99/43/95/1370994395.db2.gz MNLABFPRSSKHRY-OLZOCXBDSA-N 2 2 345.256 3.109 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1Br ZINC001206211045 1370994400 /nfs/dbraw/zinc/99/44/00/1370994400.db2.gz MNLABFPRSSKHRY-OLZOCXBDSA-N 2 2 345.256 3.109 20 0 EGADLP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238671 1371001023 /nfs/dbraw/zinc/00/10/23/1371001023.db2.gz XFMXCZMPMIXUSH-INIZCTEOSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001206427473 1371051507 /nfs/dbraw/zinc/05/15/07/1371051507.db2.gz HDILEIODGMOVSN-KRWDZBQOSA-N 2 2 346.519 3.243 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001206428210 1371051707 /nfs/dbraw/zinc/05/17/07/1371051707.db2.gz VVTWLTXBIQRETG-INIZCTEOSA-N 2 2 334.508 3.099 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc([C@@H](C)[NH3+])c1 ZINC001206526274 1371083751 /nfs/dbraw/zinc/08/37/51/1371083751.db2.gz NHKPYXFPPZLLJA-OAHLLOKOSA-N 2 2 326.440 3.214 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206574697 1371097649 /nfs/dbraw/zinc/09/76/49/1371097649.db2.gz UJMCHCOQKHZIJJ-SFHVURJKSA-N 2 2 331.485 3.467 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206574697 1371097653 /nfs/dbraw/zinc/09/76/53/1371097653.db2.gz UJMCHCOQKHZIJJ-SFHVURJKSA-N 2 2 331.485 3.467 20 0 EGADLP CC(C)Oc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)cn1 ZINC001206643146 1371117239 /nfs/dbraw/zinc/11/72/39/1371117239.db2.gz LIUKPNAZCXJUMA-INIZCTEOSA-N 2 2 329.419 3.208 20 0 EGADLP CC(C)Oc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)cn1 ZINC001206643146 1371117242 /nfs/dbraw/zinc/11/72/42/1371117242.db2.gz LIUKPNAZCXJUMA-INIZCTEOSA-N 2 2 329.419 3.208 20 0 EGADLP Cc1cnc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cn1 ZINC001207078633 1371286738 /nfs/dbraw/zinc/28/67/38/1371286738.db2.gz HQQPPOVDKLGIGE-UHFFFAOYSA-N 2 2 345.406 3.292 20 0 EGADLP CCOc1cccc(F)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001119300767 1371301213 /nfs/dbraw/zinc/30/12/13/1371301213.db2.gz GLBDYCWKYSXXKJ-OAHLLOKOSA-N 2 2 331.435 3.413 20 0 EGADLP CCOc1cccc(F)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001119300767 1371301218 /nfs/dbraw/zinc/30/12/18/1371301218.db2.gz GLBDYCWKYSXXKJ-OAHLLOKOSA-N 2 2 331.435 3.413 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1Cl ZINC001119321070 1371310763 /nfs/dbraw/zinc/31/07/63/1371310763.db2.gz XVNNFBFBCNIPMM-GOSISDBHSA-N 2 2 343.858 3.055 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](CC(C)(C)C[NH+](C)C)CC2 ZINC001207283577 1371349579 /nfs/dbraw/zinc/34/95/79/1371349579.db2.gz ADNSEMVYWHXXOO-UHFFFAOYSA-N 2 2 334.504 3.430 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](CC(C)(C)C[NH+](C)C)CC2 ZINC001207283577 1371349585 /nfs/dbraw/zinc/34/95/85/1371349585.db2.gz ADNSEMVYWHXXOO-UHFFFAOYSA-N 2 2 334.504 3.430 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CCc2c(Cl)nc(C)nc2Cl)CC1 ZINC001207336061 1371364425 /nfs/dbraw/zinc/36/44/25/1371364425.db2.gz AVCXEWVMDXUQRA-UHFFFAOYSA-N 2 2 331.291 3.050 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CCc2c(Cl)nc(C)nc2Cl)CC1 ZINC001207336061 1371364428 /nfs/dbraw/zinc/36/44/28/1371364428.db2.gz AVCXEWVMDXUQRA-UHFFFAOYSA-N 2 2 331.291 3.050 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnc(C(C)C)nc1C ZINC001119597289 1371371919 /nfs/dbraw/zinc/37/19/19/1371371919.db2.gz BQTZMBWPEILTRL-UHFFFAOYSA-N 2 2 336.399 3.050 20 0 EGADLP COc1ccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207584580 1371443564 /nfs/dbraw/zinc/44/35/64/1371443564.db2.gz KEXYUYWZVGVWPF-LJQANCHMSA-N 2 2 326.440 3.485 20 0 EGADLP COc1ccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001207584580 1371443568 /nfs/dbraw/zinc/44/35/68/1371443568.db2.gz KEXYUYWZVGVWPF-LJQANCHMSA-N 2 2 326.440 3.485 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]2C)c[nH+]1 ZINC001207681616 1371473211 /nfs/dbraw/zinc/47/32/11/1371473211.db2.gz ZZIGZOAPESEGQU-JFIYKMOQSA-N 2 2 348.535 3.045 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@H]2C)c[nH+]1 ZINC001207681616 1371473214 /nfs/dbraw/zinc/47/32/14/1371473214.db2.gz ZZIGZOAPESEGQU-JFIYKMOQSA-N 2 2 348.535 3.045 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001120069057 1371477253 /nfs/dbraw/zinc/47/72/53/1371477253.db2.gz SNKIKAIZYLHURV-UHFFFAOYSA-N 2 2 346.519 3.250 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459528 1371583540 /nfs/dbraw/zinc/58/35/40/1371583540.db2.gz MYCIGQLKZKNLPX-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459528 1371583543 /nfs/dbraw/zinc/58/35/43/1371583543.db2.gz MYCIGQLKZKNLPX-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)o1 ZINC001208160057 1371613365 /nfs/dbraw/zinc/61/33/65/1371613365.db2.gz IMVFXGLECQQBCW-AWEZNQCLSA-N 2 2 340.427 3.373 20 0 EGADLP Cc1ccc([C@@H](C)CC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)o1 ZINC001208160057 1371613367 /nfs/dbraw/zinc/61/33/67/1371613367.db2.gz IMVFXGLECQQBCW-AWEZNQCLSA-N 2 2 340.427 3.373 20 0 EGADLP Fc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001208197644 1371641207 /nfs/dbraw/zinc/64/12/07/1371641207.db2.gz KLZSJSBDTGMTAA-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP Fc1cccc(CC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001208197644 1371641222 /nfs/dbraw/zinc/64/12/22/1371641222.db2.gz KLZSJSBDTGMTAA-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001208197644 1371641233 /nfs/dbraw/zinc/64/12/33/1371641233.db2.gz KLZSJSBDTGMTAA-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001208197644 1371641243 /nfs/dbraw/zinc/64/12/43/1371641243.db2.gz KLZSJSBDTGMTAA-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP C[NH+](Cc1cccc(Br)c1F)C[C@@H]1CCC[N@H+](C)C1 ZINC001208609597 1371840654 /nfs/dbraw/zinc/84/06/54/1371840654.db2.gz KOWKDBYBRLCCFN-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1cccc(Br)c1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609597 1371840656 /nfs/dbraw/zinc/84/06/56/1371840656.db2.gz KOWKDBYBRLCCFN-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121034037 1371838747 /nfs/dbraw/zinc/83/87/47/1371838747.db2.gz XFFBADIHRMGIKR-AKJOHPPZSA-N 2 2 346.519 3.042 20 0 EGADLP C[N@@H+](Cc1cccc(Br)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC001208609597 1371840652 /nfs/dbraw/zinc/84/06/52/1371840652.db2.gz KOWKDBYBRLCCFN-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1cccc(Br)c1F)C[C@@H]1CCC[NH+](C)C1 ZINC001208609597 1371840653 /nfs/dbraw/zinc/84/06/53/1371840653.db2.gz KOWKDBYBRLCCFN-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP CC(C)Oc1ncccc1CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001208790093 1371898033 /nfs/dbraw/zinc/89/80/33/1371898033.db2.gz JVYJRYDRKZPTLX-UHFFFAOYSA-N 2 2 341.455 3.350 20 0 EGADLP C[NH+]1CCC([N@H+](CC2CCC3(CC2)OCCO3)C2CCCC2)CC1 ZINC001209105257 1371998490 /nfs/dbraw/zinc/99/84/90/1371998490.db2.gz LYIMDSAUUFKQJB-UHFFFAOYSA-N 2 2 336.520 3.259 20 0 EGADLP C[NH+]1CCC([N@@H+](CC2CCC3(CC2)OCCO3)C2CCCC2)CC1 ZINC001209105257 1371998492 /nfs/dbraw/zinc/99/84/92/1371998492.db2.gz LYIMDSAUUFKQJB-UHFFFAOYSA-N 2 2 336.520 3.259 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209447746 1372108621 /nfs/dbraw/zinc/10/86/21/1372108621.db2.gz FTSCUYVWDRKDTF-QGZVFWFLSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209447746 1372108624 /nfs/dbraw/zinc/10/86/24/1372108624.db2.gz FTSCUYVWDRKDTF-QGZVFWFLSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001209452369 1372110129 /nfs/dbraw/zinc/11/01/29/1372110129.db2.gz LDLXOSRYMIAFFO-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001209452369 1372110132 /nfs/dbraw/zinc/11/01/32/1372110132.db2.gz LDLXOSRYMIAFFO-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209453030 1372110373 /nfs/dbraw/zinc/11/03/73/1372110373.db2.gz DDLFGAFNJXZTBF-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209453030 1372110378 /nfs/dbraw/zinc/11/03/78/1372110378.db2.gz DDLFGAFNJXZTBF-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP CC[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001209457381 1372110992 /nfs/dbraw/zinc/11/09/92/1372110992.db2.gz QIYAEIAMESPUNO-INIZCTEOSA-N 2 2 339.524 3.240 20 0 EGADLP Cn1nc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2ccccc21 ZINC001209581615 1372142327 /nfs/dbraw/zinc/14/23/27/1372142327.db2.gz NUZGGNUTNGYWRT-QGZVFWFLSA-N 2 2 326.488 3.414 20 0 EGADLP Cn1nc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2ccccc21 ZINC001209581615 1372142328 /nfs/dbraw/zinc/14/23/28/1372142328.db2.gz NUZGGNUTNGYWRT-QGZVFWFLSA-N 2 2 326.488 3.414 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC001209627181 1372155387 /nfs/dbraw/zinc/15/53/87/1372155387.db2.gz GQSWSMBZVXHATL-SFHVURJKSA-N 2 2 338.455 3.039 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC001209627181 1372155389 /nfs/dbraw/zinc/15/53/89/1372155389.db2.gz GQSWSMBZVXHATL-SFHVURJKSA-N 2 2 338.455 3.039 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnccn3)C[C@H]21 ZINC001209780773 1372195426 /nfs/dbraw/zinc/19/54/26/1372195426.db2.gz DLRPNNNQXPWPQN-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnccn3)C[C@H]21 ZINC001209780773 1372195428 /nfs/dbraw/zinc/19/54/28/1372195428.db2.gz DLRPNNNQXPWPQN-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnccn3)C[C@H]21 ZINC001209780773 1372195430 /nfs/dbraw/zinc/19/54/30/1372195430.db2.gz DLRPNNNQXPWPQN-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnccn3)C[C@H]21 ZINC001209780773 1372195437 /nfs/dbraw/zinc/19/54/37/1372195437.db2.gz DLRPNNNQXPWPQN-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP OC1C[NH+](Cc2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2)C1 ZINC001212669211 1372749185 /nfs/dbraw/zinc/74/91/85/1372749185.db2.gz MHCPVMZJUFJVGQ-UHFFFAOYSA-N 2 2 337.467 3.203 20 0 EGADLP OC1C[NH+](Cc2ccc(Nc3ccccc3C[NH+]3CCCC3)cc2)C1 ZINC001212669149 1372749383 /nfs/dbraw/zinc/74/93/83/1372749383.db2.gz JNAKDYXCWBLEMK-UHFFFAOYSA-N 2 2 337.467 3.203 20 0 EGADLP C[C@@H]([NH3+])c1ncc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)s1 ZINC001213205938 1372860316 /nfs/dbraw/zinc/86/03/16/1372860316.db2.gz WXHJIICTTBZLJY-SNVBAGLBSA-N 2 2 338.396 3.066 20 0 EGADLP CCc1ccc[nH+]c1Nc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001213539001 1372922922 /nfs/dbraw/zinc/92/29/22/1372922922.db2.gz KAWJABWPQSZCJI-UHFFFAOYSA-N 2 2 326.444 3.148 20 0 EGADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001213893856 1372975367 /nfs/dbraw/zinc/97/53/67/1372975367.db2.gz WZNUQMLVWRXDPM-UHFFFAOYSA-N 2 2 349.438 3.034 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]Cc3ccc(C4CC4)cc3)ccn12 ZINC001127293247 1373113160 /nfs/dbraw/zinc/11/31/60/1373113160.db2.gz RCMSCAQTEHJLLB-UHFFFAOYSA-N 2 2 348.450 3.040 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964751 1373149520 /nfs/dbraw/zinc/14/95/20/1373149520.db2.gz PWFNAYVTACISKN-VKRNSVOSSA-N 2 2 340.471 3.359 20 0 EGADLP [NH3+][C@H](CC(=O)Nc1cc[nH+]c2c1CCC2)c1ccc(C(F)(F)F)cc1 ZINC001218620679 1373637528 /nfs/dbraw/zinc/63/75/28/1373637528.db2.gz MPGPYYBYLVRIMZ-CQSZACIVSA-N 2 2 349.356 3.040 20 0 EGADLP Cc1cc(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c(C)s1 ZINC001131566347 1373722325 /nfs/dbraw/zinc/72/23/25/1373722325.db2.gz WLPXSBNOPJKUSC-UHFFFAOYSA-N 2 2 331.485 3.205 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001131976137 1375079559 /nfs/dbraw/zinc/07/95/59/1375079559.db2.gz JFRIPJIWPFTAKJ-KRWDZBQOSA-N 2 2 348.450 3.261 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132445574 1375390343 /nfs/dbraw/zinc/39/03/43/1375390343.db2.gz PRNGOMSETNMPCI-GDBMZVCRSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132445574 1375390347 /nfs/dbraw/zinc/39/03/47/1375390347.db2.gz PRNGOMSETNMPCI-GDBMZVCRSA-N 2 2 334.508 3.056 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001227947383 1375493967 /nfs/dbraw/zinc/49/39/67/1375493967.db2.gz QLOITAIBODVKJI-UHFFFAOYSA-N 2 2 347.503 3.040 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529560 1375587745 /nfs/dbraw/zinc/58/77/45/1375587745.db2.gz UDWFHPVTKCDNBG-KRJKFKNKSA-N 2 2 344.503 3.203 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363294 1375945460 /nfs/dbraw/zinc/94/54/60/1375945460.db2.gz GLQGGDDARQMPLY-RBUKOAKNSA-N 2 2 348.535 3.318 20 0 EGADLP C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001133363861 1375945477 /nfs/dbraw/zinc/94/54/77/1375945477.db2.gz OQZUMQVRFSLJHO-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606328 1376097282 /nfs/dbraw/zinc/09/72/82/1376097282.db2.gz VWSHPBFYGLOFCC-ZRHASKPBSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606328 1376097289 /nfs/dbraw/zinc/09/72/89/1376097289.db2.gz VWSHPBFYGLOFCC-ZRHASKPBSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227782 1376424017 /nfs/dbraw/zinc/42/40/17/1376424017.db2.gz KEIGLKFQFYVEIK-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP COc1cc(C)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001232349437 1376446265 /nfs/dbraw/zinc/44/62/65/1376446265.db2.gz XJSQDYSZATWRBG-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001232349437 1376446270 /nfs/dbraw/zinc/44/62/70/1376446270.db2.gz XJSQDYSZATWRBG-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001232509908 1376471188 /nfs/dbraw/zinc/47/11/88/1376471188.db2.gz YANSLYGAJVZFBZ-HUUCEWRRSA-N 2 2 331.460 3.033 20 0 EGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(-n3cnc(C)c3)c(OC)c2)CC1 ZINC001232567230 1376481900 /nfs/dbraw/zinc/48/19/00/1376481900.db2.gz RMEOXYIANRRXIX-UHFFFAOYSA-N 2 2 342.487 3.105 20 0 EGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(-n3cnc(C)c3)c(OC)c2)CC1 ZINC001232567230 1376481902 /nfs/dbraw/zinc/48/19/02/1376481902.db2.gz RMEOXYIANRRXIX-UHFFFAOYSA-N 2 2 342.487 3.105 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134368910 1376496254 /nfs/dbraw/zinc/49/62/54/1376496254.db2.gz CEFMFTKZAUOPBY-JTUDCUDASA-N 2 2 342.487 3.486 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402497 1376511928 /nfs/dbraw/zinc/51/19/28/1376511928.db2.gz FBBZXIIJMAYKLG-SJORKVTESA-N 2 2 348.535 3.215 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2o1 ZINC001232943186 1376543914 /nfs/dbraw/zinc/54/39/14/1376543914.db2.gz WCGOXWKAFLNAFY-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2o1 ZINC001232943186 1376543925 /nfs/dbraw/zinc/54/39/25/1376543925.db2.gz WCGOXWKAFLNAFY-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1nc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2o1 ZINC001232943186 1376543937 /nfs/dbraw/zinc/54/39/37/1376543937.db2.gz WCGOXWKAFLNAFY-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1nc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2o1 ZINC001232943186 1376543940 /nfs/dbraw/zinc/54/39/40/1376543940.db2.gz WCGOXWKAFLNAFY-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)nc2)CC1 ZINC001232956976 1376547747 /nfs/dbraw/zinc/54/77/47/1376547747.db2.gz NULGQAIGLANANY-UHFFFAOYSA-N 2 2 327.419 3.379 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)nc2)CC1 ZINC001232956976 1376547753 /nfs/dbraw/zinc/54/77/53/1376547753.db2.gz NULGQAIGLANANY-UHFFFAOYSA-N 2 2 327.419 3.379 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546206 1376584863 /nfs/dbraw/zinc/58/48/63/1376584863.db2.gz XPORLPLNOZCTGJ-HZPDHXFCSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546206 1376584868 /nfs/dbraw/zinc/58/48/68/1376584868.db2.gz XPORLPLNOZCTGJ-HZPDHXFCSA-N 2 2 346.519 3.186 20 0 EGADLP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233364109 1376630383 /nfs/dbraw/zinc/63/03/83/1376630383.db2.gz QPSJWYTZVFZGLR-QGZVFWFLSA-N 2 2 341.455 3.280 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001134733459 1376685182 /nfs/dbraw/zinc/68/51/82/1376685182.db2.gz ZZUNZBACOMCWTQ-JKSUJKDBSA-N 2 2 347.503 3.086 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC(F)(F)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739381 1376688825 /nfs/dbraw/zinc/68/88/25/1376688825.db2.gz DDMXAIJEHCYOBR-QWRGUYRKSA-N 2 2 342.365 3.002 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001327245764 1388461996 /nfs/dbraw/zinc/46/19/96/1388461996.db2.gz PQTVVHYDIBZLLS-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001327245764 1388461998 /nfs/dbraw/zinc/46/19/98/1388461998.db2.gz PQTVVHYDIBZLLS-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968962 1376817344 /nfs/dbraw/zinc/81/73/44/1376817344.db2.gz KHPYDAKPTKRKDX-DOOVEFGSSA-N 2 2 328.460 3.177 20 0 EGADLP Cc1cc(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)cc1Cl ZINC001235703454 1376884165 /nfs/dbraw/zinc/88/41/65/1376884165.db2.gz SSNGSOOUWOWUKC-UHFFFAOYSA-N 2 2 342.314 3.171 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235943854 1376920155 /nfs/dbraw/zinc/92/01/55/1376920155.db2.gz ZIGTYEMBECAEJN-JQWIXIFHSA-N 2 2 334.769 3.280 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235943854 1376920160 /nfs/dbraw/zinc/92/01/60/1376920160.db2.gz ZIGTYEMBECAEJN-JQWIXIFHSA-N 2 2 334.769 3.280 20 0 EGADLP CC[N@H+](Cc1cc2c(c(OC)c1)NC(C)(C)C=C2)[C@H]1CCC[NH2+]C1 ZINC001236007392 1376925955 /nfs/dbraw/zinc/92/59/55/1376925955.db2.gz AMHBBXULNAAZKE-KRWDZBQOSA-N 2 2 329.488 3.486 20 0 EGADLP CC[N@@H+](Cc1cc2c(c(OC)c1)NC(C)(C)C=C2)[C@H]1CCC[NH2+]C1 ZINC001236007392 1376925956 /nfs/dbraw/zinc/92/59/56/1376925956.db2.gz AMHBBXULNAAZKE-KRWDZBQOSA-N 2 2 329.488 3.486 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CCC1=CCCCC1 ZINC001135138224 1376928672 /nfs/dbraw/zinc/92/86/72/1376928672.db2.gz YLPYRMKOXUHUEH-SJORKVTESA-N 2 2 332.492 3.037 20 0 EGADLP COc1nc(C(C)C)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236446943 1376953623 /nfs/dbraw/zinc/95/36/23/1376953623.db2.gz USJREOUIFNMHHF-KRWDZBQOSA-N 2 2 325.456 3.414 20 0 EGADLP COc1nc(C(C)C)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236446943 1376953629 /nfs/dbraw/zinc/95/36/29/1376953629.db2.gz USJREOUIFNMHHF-KRWDZBQOSA-N 2 2 325.456 3.414 20 0 EGADLP c1ccc(CCc2ccccc2C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237141224 1376975683 /nfs/dbraw/zinc/97/56/83/1376975683.db2.gz GJFICNBHMPJQGH-QFIPXVFZSA-N 2 2 336.479 3.036 20 0 EGADLP c1ccc(CCc2ccccc2C[N@H+]2CC[C@@]3(C2)C[NH2+]CCO3)cc1 ZINC001237141224 1376975693 /nfs/dbraw/zinc/97/56/93/1376975693.db2.gz GJFICNBHMPJQGH-QFIPXVFZSA-N 2 2 336.479 3.036 20 0 EGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC001246381950 1377051748 /nfs/dbraw/zinc/05/17/48/1377051748.db2.gz VGQWYIDUJSDHPF-QGZVFWFLSA-N 3 2 335.511 3.200 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2C[NH2+][C@H](C)C2)CC3)cc1 ZINC001246716345 1377053574 /nfs/dbraw/zinc/05/35/74/1377053574.db2.gz UNOFRFYRPZVBGX-TZIWHRDSSA-N 3 2 341.543 3.423 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH2+]C/C=C\Cl ZINC001135840258 1377228432 /nfs/dbraw/zinc/22/84/32/1377228432.db2.gz FZRYJMAFLQZNMZ-JBLNNTITSA-N 2 2 346.862 3.111 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840929 1377229028 /nfs/dbraw/zinc/22/90/28/1377229028.db2.gz RLVVRVOYDQANCL-IAGOWNOFSA-N 2 2 340.471 3.325 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136053627 1377315227 /nfs/dbraw/zinc/31/52/27/1377315227.db2.gz CPMHQROOODZYFZ-DLBZAZTESA-N 2 2 346.519 3.116 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)c1 ZINC001136977103 1377448608 /nfs/dbraw/zinc/44/86/08/1377448608.db2.gz UAWNPSHNDJTCJF-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnn(C(C)C)c4)C[C@@H]3C2)cc1 ZINC001137074706 1377473534 /nfs/dbraw/zinc/47/35/34/1377473534.db2.gz RNXIDELEVWWSDV-SFTDATJTSA-N 2 2 338.499 3.336 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001268075363 1377484986 /nfs/dbraw/zinc/48/49/86/1377484986.db2.gz NUCUIUFZEBCQPI-JKSUJKDBSA-N 2 2 336.439 3.146 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)nc1 ZINC001137175116 1377490726 /nfs/dbraw/zinc/49/07/26/1377490726.db2.gz RDYVYMUVKMAPBB-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)nc1 ZINC001137175116 1377490727 /nfs/dbraw/zinc/49/07/27/1377490727.db2.gz RDYVYMUVKMAPBB-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5cccnc54)C[C@H]3C2)nc1 ZINC001137175116 1377490729 /nfs/dbraw/zinc/49/07/29/1377490729.db2.gz RDYVYMUVKMAPBB-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5cccnc54)C[C@H]3C2)nc1 ZINC001137175116 1377490730 /nfs/dbraw/zinc/49/07/30/1377490730.db2.gz RDYVYMUVKMAPBB-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001138097080 1377676366 /nfs/dbraw/zinc/67/63/66/1377676366.db2.gz HFLDKQUWZHTHEC-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001138097080 1377676367 /nfs/dbraw/zinc/67/63/67/1377676367.db2.gz HFLDKQUWZHTHEC-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001138097080 1377676368 /nfs/dbraw/zinc/67/63/68/1377676368.db2.gz HFLDKQUWZHTHEC-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001138097080 1377676369 /nfs/dbraw/zinc/67/63/69/1377676369.db2.gz HFLDKQUWZHTHEC-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC001138159290 1377686428 /nfs/dbraw/zinc/68/64/28/1377686428.db2.gz VTUNWNUTCIMCBO-OAHLLOKOSA-N 2 2 340.452 3.495 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC001138159290 1377686430 /nfs/dbraw/zinc/68/64/30/1377686430.db2.gz VTUNWNUTCIMCBO-OAHLLOKOSA-N 2 2 340.452 3.495 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc2c1 ZINC001138418531 1377720429 /nfs/dbraw/zinc/72/04/29/1377720429.db2.gz QZGKOFHOCZBFKN-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138459258 1377727194 /nfs/dbraw/zinc/72/71/94/1377727194.db2.gz LBBBCZUTPMNGAR-UHFFFAOYSA-N 2 2 334.508 3.230 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138459258 1377727195 /nfs/dbraw/zinc/72/71/95/1377727195.db2.gz LBBBCZUTPMNGAR-UHFFFAOYSA-N 2 2 334.508 3.230 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577043 1377745564 /nfs/dbraw/zinc/74/55/64/1377745564.db2.gz MENUBAJWGRLYRO-FQEVSTJZSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577043 1377745566 /nfs/dbraw/zinc/74/55/66/1377745566.db2.gz MENUBAJWGRLYRO-FQEVSTJZSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577043 1377745568 /nfs/dbraw/zinc/74/55/68/1377745568.db2.gz MENUBAJWGRLYRO-FQEVSTJZSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577043 1377745569 /nfs/dbraw/zinc/74/55/69/1377745569.db2.gz MENUBAJWGRLYRO-FQEVSTJZSA-N 2 2 348.535 3.030 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138803655 1377787872 /nfs/dbraw/zinc/78/78/72/1377787872.db2.gz VTRLBHLUJYZUMM-INIZCTEOSA-N 2 2 346.500 3.428 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138803655 1377787873 /nfs/dbraw/zinc/78/78/73/1377787873.db2.gz VTRLBHLUJYZUMM-INIZCTEOSA-N 2 2 346.500 3.428 20 0 EGADLP Cn1ccc2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001139204590 1377851236 /nfs/dbraw/zinc/85/12/36/1377851236.db2.gz IKZYKAJZNWPHLE-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001139204590 1377851239 /nfs/dbraw/zinc/85/12/39/1377851239.db2.gz IKZYKAJZNWPHLE-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001139204590 1377851243 /nfs/dbraw/zinc/85/12/43/1377851243.db2.gz IKZYKAJZNWPHLE-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001139204590 1377851246 /nfs/dbraw/zinc/85/12/46/1377851246.db2.gz IKZYKAJZNWPHLE-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)[C@H]1CCc2ccccc21 ZINC001139326268 1377868893 /nfs/dbraw/zinc/86/88/93/1377868893.db2.gz OHSGQXFOUJDZDM-SFHVURJKSA-N 2 2 342.512 3.014 20 0 EGADLP O[C@]1(C(F)(F)F)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356747 1377873904 /nfs/dbraw/zinc/87/39/04/1377873904.db2.gz SIUQNWUTGCNAET-MRXNPFEDSA-N 2 2 339.361 3.152 20 0 EGADLP O[C@]1(C(F)(F)F)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356747 1377873909 /nfs/dbraw/zinc/87/39/09/1377873909.db2.gz SIUQNWUTGCNAET-MRXNPFEDSA-N 2 2 339.361 3.152 20 0 EGADLP CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360703 1377874203 /nfs/dbraw/zinc/87/42/03/1377874203.db2.gz DRLHJEHOAPHTGV-KRWDZBQOSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360703 1377874204 /nfs/dbraw/zinc/87/42/04/1377874204.db2.gz DRLHJEHOAPHTGV-KRWDZBQOSA-N 2 2 341.455 3.426 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001139760236 1377947685 /nfs/dbraw/zinc/94/76/85/1377947685.db2.gz LDOXXHCGZTYRMF-MOPGFXCFSA-N 2 2 346.515 3.266 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001139760236 1377947689 /nfs/dbraw/zinc/94/76/89/1377947689.db2.gz LDOXXHCGZTYRMF-MOPGFXCFSA-N 2 2 346.515 3.266 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001140022477 1377991711 /nfs/dbraw/zinc/99/17/11/1377991711.db2.gz GYWFWLIVZWCBRR-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC001140022477 1377991712 /nfs/dbraw/zinc/99/17/12/1377991712.db2.gz GYWFWLIVZWCBRR-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097575 1378007243 /nfs/dbraw/zinc/00/72/43/1378007243.db2.gz WUDSOIDECNONQG-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097575 1378007244 /nfs/dbraw/zinc/00/72/44/1378007244.db2.gz WUDSOIDECNONQG-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097575 1378007245 /nfs/dbraw/zinc/00/72/45/1378007245.db2.gz WUDSOIDECNONQG-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097575 1378007246 /nfs/dbraw/zinc/00/72/46/1378007246.db2.gz WUDSOIDECNONQG-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP Cc1c(F)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Br ZINC001140557540 1378085253 /nfs/dbraw/zinc/08/52/53/1378085253.db2.gz OBOKAXULXAFXBA-KGLIPLIRSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1c(F)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Br ZINC001140557540 1378085254 /nfs/dbraw/zinc/08/52/54/1378085254.db2.gz OBOKAXULXAFXBA-KGLIPLIRSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1c(F)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001140557540 1378085255 /nfs/dbraw/zinc/08/52/55/1378085255.db2.gz OBOKAXULXAFXBA-KGLIPLIRSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1c(F)cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Br ZINC001140557540 1378085256 /nfs/dbraw/zinc/08/52/56/1378085256.db2.gz OBOKAXULXAFXBA-KGLIPLIRSA-N 2 2 341.268 3.280 20 0 EGADLP FC(F)(F)CCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001275166175 1378137228 /nfs/dbraw/zinc/13/72/28/1378137228.db2.gz QSWOVDCIPKYDSH-JKSUJKDBSA-N 3 2 344.425 3.250 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001140806020 1378143587 /nfs/dbraw/zinc/14/35/87/1378143587.db2.gz UJGDWAUOVOZJRM-UTKZUKDTSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001140806020 1378143590 /nfs/dbraw/zinc/14/35/90/1378143590.db2.gz UJGDWAUOVOZJRM-UTKZUKDTSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140807301 1378146570 /nfs/dbraw/zinc/14/65/70/1378146570.db2.gz UJGDWAUOVOZJRM-DYESRHJHSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140807301 1378146573 /nfs/dbraw/zinc/14/65/73/1378146573.db2.gz UJGDWAUOVOZJRM-DYESRHJHSA-N 2 2 332.451 3.269 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(N)[nH+]1)C2 ZINC001276493238 1378175915 /nfs/dbraw/zinc/17/59/15/1378175915.db2.gz QRFKCIWNKOPOLJ-SCTDSRPQSA-N 2 2 330.520 3.386 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(N)[nH+]1)C2 ZINC001276493238 1378175918 /nfs/dbraw/zinc/17/59/18/1378175918.db2.gz QRFKCIWNKOPOLJ-SCTDSRPQSA-N 2 2 330.520 3.386 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001277537526 1378233069 /nfs/dbraw/zinc/23/30/69/1378233069.db2.gz GMEWISRCRLZTHQ-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001277537526 1378233074 /nfs/dbraw/zinc/23/30/74/1378233074.db2.gz GMEWISRCRLZTHQ-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CC[NH+](C)CC3)(C1)CCC2 ZINC001277625318 1378240597 /nfs/dbraw/zinc/24/05/97/1378240597.db2.gz UUFAHTQKSHOJOT-RBUKOAKNSA-N 3 2 348.560 3.070 20 0 EGADLP COCC[N@H+](Cc1c(C)onc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001141985692 1378400855 /nfs/dbraw/zinc/40/08/55/1378400855.db2.gz GEBCLUCXBIFTES-UHFFFAOYSA-N 2 2 343.471 3.193 20 0 EGADLP COCC[N@@H+](Cc1c(C)onc1-c1ccccc1)C1CC[NH+](C)CC1 ZINC001141985692 1378400857 /nfs/dbraw/zinc/40/08/57/1378400857.db2.gz GEBCLUCXBIFTES-UHFFFAOYSA-N 2 2 343.471 3.193 20 0 EGADLP Brc1ccc2c(C[N@H+]3CCc4[nH+]ccn4CC3)c[nH]c2c1 ZINC001142402073 1378440051 /nfs/dbraw/zinc/44/00/51/1378440051.db2.gz NWBHXLOCNFKMJR-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Brc1ccc2c(C[N@@H+]3CCc4[nH+]ccn4CC3)c[nH]c2c1 ZINC001142402073 1378440055 /nfs/dbraw/zinc/44/00/55/1378440055.db2.gz NWBHXLOCNFKMJR-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001143838575 1378651797 /nfs/dbraw/zinc/65/17/97/1378651797.db2.gz NRXHCAHIMARAJN-AWEZNQCLSA-N 2 2 336.439 3.422 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001144445999 1378733114 /nfs/dbraw/zinc/73/31/14/1378733114.db2.gz SBLURISEXIORJC-SFHVURJKSA-N 2 2 348.462 3.453 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001144445999 1378733116 /nfs/dbraw/zinc/73/31/16/1378733116.db2.gz SBLURISEXIORJC-SFHVURJKSA-N 2 2 348.462 3.453 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146773410 1378915630 /nfs/dbraw/zinc/91/56/30/1378915630.db2.gz ZGCDBTTZZARJON-IRXDYDNUSA-N 2 2 342.487 3.080 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604581 1379224276 /nfs/dbraw/zinc/22/42/76/1379224276.db2.gz IOXLQSCDBJKVJG-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001148604581 1379224280 /nfs/dbraw/zinc/22/42/80/1379224280.db2.gz IOXLQSCDBJKVJG-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC(CC(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001151289211 1379694121 /nfs/dbraw/zinc/69/41/21/1379694121.db2.gz FVZVCEOXJOJTAX-UHFFFAOYSA-N 2 2 346.519 3.480 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001151896207 1379812340 /nfs/dbraw/zinc/81/23/40/1379812340.db2.gz ZAUJGPQNCGWLPU-SJORKVTESA-N 2 2 348.450 3.069 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001151896207 1379812342 /nfs/dbraw/zinc/81/23/42/1379812342.db2.gz ZAUJGPQNCGWLPU-SJORKVTESA-N 2 2 348.450 3.069 20 0 EGADLP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362301 1380064619 /nfs/dbraw/zinc/06/46/19/1380064619.db2.gz OCOOCPJFABPENL-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362301 1380064625 /nfs/dbraw/zinc/06/46/25/1380064625.db2.gz OCOOCPJFABPENL-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004813 1380175864 /nfs/dbraw/zinc/17/58/64/1380175864.db2.gz IZKVGIVXBYSRSZ-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004813 1380175872 /nfs/dbraw/zinc/17/58/72/1380175872.db2.gz IZKVGIVXBYSRSZ-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP COc1cc2[nH+]c(C)nc(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2cc1OC ZINC001155026449 1380393748 /nfs/dbraw/zinc/39/37/48/1380393748.db2.gz TZQWFKPRLZPIOI-OCCSQVGLSA-N 2 2 344.459 3.003 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC[C@H]2CCC[NH2+]C[C@H]2C)c1)C1CC1 ZINC001155030409 1380395198 /nfs/dbraw/zinc/39/51/98/1380395198.db2.gz JUKFDRIXSYJADL-OLMNPRSZSA-N 2 2 345.487 3.186 20 0 EGADLP Cc1cc2c(nc(Cl)nc2-n2c[nH+]cc2C2CC[NH2+]CC2)s1 ZINC001155052949 1380399353 /nfs/dbraw/zinc/39/93/53/1380399353.db2.gz IMDNAZYXPQDWGH-UHFFFAOYSA-N 2 2 333.848 3.306 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189881 1380422121 /nfs/dbraw/zinc/42/21/21/1380422121.db2.gz YNQVLRXOTAVBLO-CVEARBPZSA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189881 1380422122 /nfs/dbraw/zinc/42/21/22/1380422122.db2.gz YNQVLRXOTAVBLO-CVEARBPZSA-N 2 2 334.508 3.092 20 0 EGADLP CC1(Nc2cc[nH+]c(N)n2)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001155305340 1380435244 /nfs/dbraw/zinc/43/52/44/1380435244.db2.gz HCPHZZMCPKQXAK-UHFFFAOYSA-N 2 2 345.450 3.335 20 0 EGADLP CC[C@H](F)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149454 1380531231 /nfs/dbraw/zinc/53/12/31/1380531231.db2.gz KFIPRUIVBGRNNV-WBVHZDCISA-N 2 2 346.450 3.061 20 0 EGADLP CC[C@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149454 1380531232 /nfs/dbraw/zinc/53/12/32/1380531232.db2.gz KFIPRUIVBGRNNV-WBVHZDCISA-N 2 2 346.450 3.061 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3C(C)(C)CC([NH3+])CC3(C)C)nc[nH+]2)C1 ZINC001156774934 1380633439 /nfs/dbraw/zinc/63/34/39/1380633439.db2.gz KCUYQEYKHGWUJR-CQSZACIVSA-N 2 2 331.508 3.198 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3C(C)(C)CC([NH3+])CC3(C)C)[nH+]cn2)C1 ZINC001156774934 1380633445 /nfs/dbraw/zinc/63/34/45/1380633445.db2.gz KCUYQEYKHGWUJR-CQSZACIVSA-N 2 2 331.508 3.198 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248080 1380822687 /nfs/dbraw/zinc/82/26/87/1380822687.db2.gz FSYSCZOLCPWYHC-LKGOPFMKSA-N 2 2 334.508 3.236 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248080 1380822692 /nfs/dbraw/zinc/82/26/92/1380822692.db2.gz FSYSCZOLCPWYHC-LKGOPFMKSA-N 2 2 334.508 3.236 20 0 EGADLP CCCN(CCC)c1cc(N2CC[NH2+][C@H](c3ccccc3)C2)nc[nH+]1 ZINC001157765175 1381026965 /nfs/dbraw/zinc/02/69/65/1381026965.db2.gz ORGUAIMVTGPLQC-SFHVURJKSA-N 2 2 339.487 3.254 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]C/C=C/c3ccccc3)ccn12 ZINC001158061730 1381117142 /nfs/dbraw/zinc/11/71/42/1381117142.db2.gz DZGBPDKFNXCORI-WEVVVXLNSA-N 2 2 348.450 3.066 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC1)n1cc[nH+]c1 ZINC001158107054 1381129829 /nfs/dbraw/zinc/12/98/29/1381129829.db2.gz AIDBIFPBOIGPJT-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1)n1cc[nH+]c1 ZINC001158107054 1381129833 /nfs/dbraw/zinc/12/98/33/1381129833.db2.gz AIDBIFPBOIGPJT-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3c(Cl)cc(Cl)nc3Cl)CC2)C1 ZINC001158258938 1381175573 /nfs/dbraw/zinc/17/55/73/1381175573.db2.gz MLTWZCHBFFQMHM-VIFPVBQESA-N 2 2 349.693 3.044 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3c(Cl)cc(Cl)nc3Cl)CC2)C1 ZINC001158258938 1381175571 /nfs/dbraw/zinc/17/55/71/1381175571.db2.gz MLTWZCHBFFQMHM-VIFPVBQESA-N 2 2 349.693 3.044 20 0 EGADLP CCOC(=O)Cc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158265733 1381178141 /nfs/dbraw/zinc/17/81/41/1381178141.db2.gz IQUBINCNRPFEPH-HNAYVOBHSA-N 2 2 333.476 3.143 20 0 EGADLP Cc1c[nH+]c(N(C2CCCC2)C2CC[NH+](C)CC2)nc1NC1CC1 ZINC001158485407 1381263958 /nfs/dbraw/zinc/26/39/58/1381263958.db2.gz JZVWRAFEUQHIGE-UHFFFAOYSA-N 2 2 329.492 3.203 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744094 1381378684 /nfs/dbraw/zinc/37/86/84/1381378684.db2.gz AVILOJKFGHGFMY-HPFMTEOYSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744094 1381378686 /nfs/dbraw/zinc/37/86/86/1381378686.db2.gz AVILOJKFGHGFMY-HPFMTEOYSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@H](C)CC(C)C ZINC001158794937 1381403010 /nfs/dbraw/zinc/40/30/10/1381403010.db2.gz WCNAVGZONHRQJB-SJLPKXTDSA-N 2 2 348.535 3.256 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC(C)C ZINC001158794937 1381403011 /nfs/dbraw/zinc/40/30/11/1381403011.db2.gz WCNAVGZONHRQJB-SJLPKXTDSA-N 2 2 348.535 3.256 20 0 EGADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001159261266 1381745517 /nfs/dbraw/zinc/74/55/17/1381745517.db2.gz DFCFLJPTPZUSJA-UHFFFAOYSA-N 2 2 348.353 3.074 20 0 EGADLP CCOc1cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)ccc1C ZINC001159261285 1381745916 /nfs/dbraw/zinc/74/59/16/1381745916.db2.gz FCHFZGDOVHLTJH-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP CCOc1cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c(Cl)cn1 ZINC001159261548 1381747194 /nfs/dbraw/zinc/74/71/94/1381747194.db2.gz MSJYGXKEEZRKGF-UHFFFAOYSA-N 2 2 347.850 3.200 20 0 EGADLP Brc1cc(Nc2cccc3c2CC[NH2+]C3)cn2cc[nH+]c12 ZINC001159267863 1381747709 /nfs/dbraw/zinc/74/77/09/1381747709.db2.gz FJAAWNVZAZTPGT-UHFFFAOYSA-N 2 2 343.228 3.486 20 0 EGADLP c1cn(-c2cccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)c2)c[nH+]1 ZINC001159461523 1381799507 /nfs/dbraw/zinc/79/95/07/1381799507.db2.gz VWCNHTWXSKAMOT-UHFFFAOYSA-N 2 2 333.439 3.021 20 0 EGADLP CNc1ccc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001159889611 1381928810 /nfs/dbraw/zinc/92/88/10/1381928810.db2.gz KZWUIBXIHRWEKE-UHFFFAOYSA-N 2 2 330.407 3.384 20 0 EGADLP CN(C)c1ccc(N(CC2CC[NH2+]CC2)c2ccc(F)cc2N)c[nH+]1 ZINC001160092145 1381994769 /nfs/dbraw/zinc/99/47/69/1381994769.db2.gz IHPLFZAZEMDWPN-UHFFFAOYSA-N 2 2 343.450 3.007 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160331200 1382075401 /nfs/dbraw/zinc/07/54/01/1382075401.db2.gz UBFSDAVRXRKJCW-UHFFFAOYSA-N 2 2 332.492 3.061 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160331200 1382075410 /nfs/dbraw/zinc/07/54/10/1382075410.db2.gz UBFSDAVRXRKJCW-UHFFFAOYSA-N 2 2 332.492 3.061 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160331200 1382075416 /nfs/dbraw/zinc/07/54/16/1382075416.db2.gz UBFSDAVRXRKJCW-UHFFFAOYSA-N 2 2 332.492 3.061 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160331200 1382075423 /nfs/dbraw/zinc/07/54/23/1382075423.db2.gz UBFSDAVRXRKJCW-UHFFFAOYSA-N 2 2 332.492 3.061 20 0 EGADLP Cc1cc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c[nH+]c1N ZINC001160347642 1382078884 /nfs/dbraw/zinc/07/88/84/1382078884.db2.gz GUZXNUUVLUALBY-HNNXBMFYSA-N 2 2 334.370 3.092 20 0 EGADLP C[C@H](F)CC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492693 1382123119 /nfs/dbraw/zinc/12/31/19/1382123119.db2.gz ZHHMYRQDYBAARA-AWEZNQCLSA-N 2 2 344.434 3.063 20 0 EGADLP C[C@H](F)CC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492693 1382123121 /nfs/dbraw/zinc/12/31/21/1382123121.db2.gz ZHHMYRQDYBAARA-AWEZNQCLSA-N 2 2 344.434 3.063 20 0 EGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160729529 1382180427 /nfs/dbraw/zinc/18/04/27/1382180427.db2.gz KDXDXNBGDZBLMZ-WSTZPKSXSA-N 2 2 347.503 3.049 20 0 EGADLP CCc1nc(N[C@H]2CC[N@H+](Cc3cccc(OC)c3)C2)cc(C)[nH+]1 ZINC001161193062 1382335851 /nfs/dbraw/zinc/33/58/51/1382335851.db2.gz PQTWCIIRXUDQHD-INIZCTEOSA-N 2 2 326.444 3.042 20 0 EGADLP CCc1nc(N[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)cc(C)[nH+]1 ZINC001161193062 1382335858 /nfs/dbraw/zinc/33/58/58/1382335858.db2.gz PQTWCIIRXUDQHD-INIZCTEOSA-N 2 2 326.444 3.042 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356201 1382380749 /nfs/dbraw/zinc/38/07/49/1382380749.db2.gz FPMDFPWJYZREDP-SJORKVTESA-N 2 2 332.492 3.019 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356201 1382380755 /nfs/dbraw/zinc/38/07/55/1382380755.db2.gz FPMDFPWJYZREDP-SJORKVTESA-N 2 2 332.492 3.019 20 0 EGADLP CCN(CC)c1cc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC001161680638 1382479135 /nfs/dbraw/zinc/47/91/35/1382479135.db2.gz VJYIJWHLKWUDHB-WKILWMFISA-N 2 2 333.524 3.445 20 0 EGADLP CCN(CC)c1cc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)[nH+]cn1 ZINC001161680638 1382479140 /nfs/dbraw/zinc/47/91/40/1382479140.db2.gz VJYIJWHLKWUDHB-WKILWMFISA-N 2 2 333.524 3.445 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001162432680 1382757559 /nfs/dbraw/zinc/75/75/59/1382757559.db2.gz GPQDHCUYSJEBRI-IAGOWNOFSA-N 2 2 342.487 3.260 20 0 EGADLP c1ccc(-c2[nH]c3ccc(NC[C@H]4OC[C@H]5C[NH2+]CC[C@H]54)cc3[nH+]2)cc1 ZINC001163175189 1382984672 /nfs/dbraw/zinc/98/46/72/1382984672.db2.gz DJKHCKQATPNXCO-WRWLIDTKSA-N 2 2 348.450 3.266 20 0 EGADLP CC[NH+](CC)c1ccc(C)c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001163291163 1383014169 /nfs/dbraw/zinc/01/41/69/1383014169.db2.gz MPJPLRINDQCHEN-YLJYHZDGSA-N 2 2 331.504 3.412 20 0 EGADLP CCOc1cccc(CCNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001163713784 1383112164 /nfs/dbraw/zinc/11/21/64/1383112164.db2.gz HHTLWZPILZJRJF-LJQANCHMSA-N 2 2 339.483 3.273 20 0 EGADLP CCOc1cccc(CCNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001163713784 1383112165 /nfs/dbraw/zinc/11/21/65/1383112165.db2.gz HHTLWZPILZJRJF-LJQANCHMSA-N 2 2 339.483 3.273 20 0 EGADLP CCCc1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc(C)[nH+]1 ZINC001165270712 1383263381 /nfs/dbraw/zinc/26/33/81/1383263381.db2.gz OPBPWKBIVDVBFL-OAHLLOKOSA-N 2 2 342.409 3.248 20 0 EGADLP Cc1[nH+]c2c(n1-c1c(Cl)cc(Cl)nc1Cl)CC[NH2+]CC2 ZINC001165352611 1383280057 /nfs/dbraw/zinc/28/00/57/1383280057.db2.gz YBAVOJRVNJTBPW-UHFFFAOYSA-N 2 2 331.634 3.224 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165383317 1383283047 /nfs/dbraw/zinc/28/30/47/1383283047.db2.gz GRXZHVQGQBZOOW-UHFFFAOYSA-N 2 2 344.503 3.109 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001165383317 1383283049 /nfs/dbraw/zinc/28/30/49/1383283049.db2.gz GRXZHVQGQBZOOW-UHFFFAOYSA-N 2 2 344.503 3.109 20 0 EGADLP CC(C)(C)CC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138459 1383394688 /nfs/dbraw/zinc/39/46/88/1383394688.db2.gz LNKJWLIAOIOATQ-UHFFFAOYSA-N 2 2 342.487 3.260 20 0 EGADLP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001166408203 1383419037 /nfs/dbraw/zinc/41/90/37/1383419037.db2.gz LIINUVCEQHLJQQ-INIZCTEOSA-N 2 2 346.519 3.142 20 0 EGADLP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001328781672 1388859076 /nfs/dbraw/zinc/85/90/76/1388859076.db2.gz VANBQHFQJXMVLB-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001328781672 1388859078 /nfs/dbraw/zinc/85/90/78/1388859078.db2.gz VANBQHFQJXMVLB-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(CCC)c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc[nH+]1 ZINC001166900666 1383496863 /nfs/dbraw/zinc/49/68/63/1383496863.db2.gz SSOHKDHCJQZKSH-QGZVFWFLSA-N 2 2 331.508 3.071 20 0 EGADLP CCCN(CCC)c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]cn1 ZINC001166900666 1383496867 /nfs/dbraw/zinc/49/68/67/1383496867.db2.gz SSOHKDHCJQZKSH-QGZVFWFLSA-N 2 2 331.508 3.071 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422108 1383629083 /nfs/dbraw/zinc/62/90/83/1383629083.db2.gz ITFLOKGFHBLEDL-OSJSJHBBSA-N 2 2 346.519 3.211 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422108 1383629085 /nfs/dbraw/zinc/62/90/85/1383629085.db2.gz ITFLOKGFHBLEDL-OSJSJHBBSA-N 2 2 346.519 3.211 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001167427952 1383630748 /nfs/dbraw/zinc/63/07/48/1383630748.db2.gz DMSFMCKIRPZKDP-FUHWJXTLSA-N 2 2 328.460 3.081 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001167529108 1383658802 /nfs/dbraw/zinc/65/88/02/1383658802.db2.gz ZUUZDPOLCZBHAH-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP CSc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)cc(N2CCCC2)[nH+]1 ZINC001167625529 1383691914 /nfs/dbraw/zinc/69/19/14/1383691914.db2.gz LAINIWIORKVMKC-UHFFFAOYSA-N 2 2 349.548 3.283 20 0 EGADLP CSc1nc(N2CCCC2)cc(N2C(C)(C)CC([NH3+])CC2(C)C)[nH+]1 ZINC001167625529 1383691919 /nfs/dbraw/zinc/69/19/19/1383691919.db2.gz LAINIWIORKVMKC-UHFFFAOYSA-N 2 2 349.548 3.283 20 0 EGADLP Cc1nc2cc(CNc3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)ccc2o1 ZINC001167759539 1383733920 /nfs/dbraw/zinc/73/39/20/1383733920.db2.gz BRQDORKUSFVYPQ-QGZVFWFLSA-N 2 2 336.439 3.281 20 0 EGADLP Cc1nc2cc(CNc3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)ccc2o1 ZINC001167759539 1383733922 /nfs/dbraw/zinc/73/39/22/1383733922.db2.gz BRQDORKUSFVYPQ-QGZVFWFLSA-N 2 2 336.439 3.281 20 0 EGADLP FC(F)(F)C1(c2cc(NCC[NH+]3CCSCC3)cc[nH+]2)CC1 ZINC001167836670 1383755265 /nfs/dbraw/zinc/75/52/65/1383755265.db2.gz BMNYZFMXCIJBOZ-UHFFFAOYSA-N 2 2 331.407 3.136 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2CCF)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032472 1383801050 /nfs/dbraw/zinc/80/10/50/1383801050.db2.gz GPTBEBPMKJTBRG-IZZQQSIFSA-N 2 2 344.478 3.384 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2CCF)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032472 1383801054 /nfs/dbraw/zinc/80/10/54/1383801054.db2.gz GPTBEBPMKJTBRG-IZZQQSIFSA-N 2 2 344.478 3.384 20 0 EGADLP C[C@@H]1CC([NH2+][C@@H](CO)c2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034714 1383801364 /nfs/dbraw/zinc/80/13/64/1383801364.db2.gz QTJSKCQRFIDTBV-LZJOCLMNSA-N 2 2 339.483 3.146 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCO[C@H](C)C2)CC3)cs1 ZINC001168114948 1383820234 /nfs/dbraw/zinc/82/02/34/1383820234.db2.gz JTWLTSBWRZNWJR-QAPCUYQASA-N 2 2 349.544 3.449 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCO[C@H](C)C2)CC3)cs1 ZINC001168114948 1383820238 /nfs/dbraw/zinc/82/02/38/1383820238.db2.gz JTWLTSBWRZNWJR-QAPCUYQASA-N 2 2 349.544 3.449 20 0 EGADLP CC(=O)C1(c2ccccc2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168393164 1383893582 /nfs/dbraw/zinc/89/35/82/1383893582.db2.gz XRUWDVOXYMPXRP-UHFFFAOYSA-N 2 2 340.511 3.484 20 0 EGADLP [NH3+]CCc1nc(-c2ccccc2)nn1-c1cccc(C2=[NH+]CCC2)c1 ZINC001168717885 1383979800 /nfs/dbraw/zinc/97/98/00/1383979800.db2.gz SQULKKKAPVYAMS-UHFFFAOYSA-N 2 2 331.423 3.018 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001168729281 1383983219 /nfs/dbraw/zinc/98/32/19/1383983219.db2.gz HPYFXRCVGOIAHU-BASYENTBSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001168729281 1383983221 /nfs/dbraw/zinc/98/32/21/1383983221.db2.gz HPYFXRCVGOIAHU-BASYENTBSA-N 2 2 349.906 3.074 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC001307705237 1384016944 /nfs/dbraw/zinc/01/69/44/1384016944.db2.gz GWYGJSMSMLUAJG-LAUBAEHRSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC001307705237 1384016949 /nfs/dbraw/zinc/01/69/49/1384016949.db2.gz GWYGJSMSMLUAJG-LAUBAEHRSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC001307705239 1384017063 /nfs/dbraw/zinc/01/70/63/1384017063.db2.gz GWYGJSMSMLUAJG-UTKZUKDTSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC001307705239 1384017070 /nfs/dbraw/zinc/01/70/70/1384017070.db2.gz GWYGJSMSMLUAJG-UTKZUKDTSA-N 2 2 339.483 3.481 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091179 1384105043 /nfs/dbraw/zinc/10/50/43/1384105043.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091179 1384105046 /nfs/dbraw/zinc/10/50/46/1384105046.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091179 1384105047 /nfs/dbraw/zinc/10/50/47/1384105047.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091179 1384105049 /nfs/dbraw/zinc/10/50/49/1384105049.db2.gz OXUBBIYHNBLJFJ-LELZANKISA-N 3 2 327.516 3.254 20 0 EGADLP CC(C)n1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC001308192286 1384107526 /nfs/dbraw/zinc/10/75/26/1384107526.db2.gz ZYVALGDWYYONPE-UHFFFAOYSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109055 1384108403 /nfs/dbraw/zinc/10/84/03/1384108403.db2.gz HFJLWCVSFHXKKV-WKCHPHFGSA-N 2 2 345.506 3.313 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109055 1384108404 /nfs/dbraw/zinc/10/84/04/1384108404.db2.gz HFJLWCVSFHXKKV-WKCHPHFGSA-N 2 2 345.506 3.313 20 0 EGADLP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169153539 1384116430 /nfs/dbraw/zinc/11/64/30/1384116430.db2.gz KSIJTBILPHPWJA-AKHDSKFASA-N 2 2 334.504 3.057 20 0 EGADLP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169153539 1384116431 /nfs/dbraw/zinc/11/64/31/1384116431.db2.gz KSIJTBILPHPWJA-AKHDSKFASA-N 2 2 334.504 3.057 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001308375027 1384122986 /nfs/dbraw/zinc/12/29/86/1384122986.db2.gz UCOGMXWMICPGOF-QUCCMNQESA-N 2 2 346.515 3.456 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cncn2Cc2ccccc2Cl)CC1 ZINC001169240518 1384126572 /nfs/dbraw/zinc/12/65/72/1384126572.db2.gz KHFATKNQFRKTRW-UHFFFAOYSA-N 2 2 332.879 3.159 20 0 EGADLP CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001308468073 1384127322 /nfs/dbraw/zinc/12/73/22/1384127322.db2.gz JCWLMZFCNBLQLD-UHFFFAOYSA-N 2 2 334.423 3.145 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001308465896 1384127545 /nfs/dbraw/zinc/12/75/45/1384127545.db2.gz YGZQEXKUKYUJEG-SFHVURJKSA-N 2 2 345.531 3.374 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249360 1384127682 /nfs/dbraw/zinc/12/76/82/1384127682.db2.gz HQXVAOYAWINJSY-FQEVSTJZSA-N 3 2 345.531 3.440 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249360 1384127683 /nfs/dbraw/zinc/12/76/83/1384127683.db2.gz HQXVAOYAWINJSY-FQEVSTJZSA-N 3 2 345.531 3.440 20 0 EGADLP C[C@H](CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(O)cc1 ZINC001169545576 1384158435 /nfs/dbraw/zinc/15/84/35/1384158435.db2.gz HPXSWBAZKHGCGO-CRAIPNDOSA-N 2 2 325.456 3.141 20 0 EGADLP C[C@H](CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(O)cc1 ZINC001169545576 1384158437 /nfs/dbraw/zinc/15/84/37/1384158437.db2.gz HPXSWBAZKHGCGO-CRAIPNDOSA-N 2 2 325.456 3.141 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169734056 1384180397 /nfs/dbraw/zinc/18/03/97/1384180397.db2.gz XYYBJVMJHUULLF-ICSRJNTNSA-N 2 2 343.515 3.001 20 0 EGADLP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079312 1384231130 /nfs/dbraw/zinc/23/11/30/1384231130.db2.gz CJINSYLRPRETOF-MISYRCLQSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079312 1384231135 /nfs/dbraw/zinc/23/11/35/1384231135.db2.gz CJINSYLRPRETOF-MISYRCLQSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079312 1384231138 /nfs/dbraw/zinc/23/11/38/1384231138.db2.gz CJINSYLRPRETOF-MISYRCLQSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079312 1384231143 /nfs/dbraw/zinc/23/11/43/1384231143.db2.gz CJINSYLRPRETOF-MISYRCLQSA-N 2 2 332.536 3.389 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739158 1384375846 /nfs/dbraw/zinc/37/58/46/1384375846.db2.gz PDLQCZWXGXOYNE-LJDSDSDDSA-N 2 2 328.500 3.300 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739158 1384375849 /nfs/dbraw/zinc/37/58/49/1384375849.db2.gz PDLQCZWXGXOYNE-LJDSDSDDSA-N 2 2 328.500 3.300 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170894764 1384407113 /nfs/dbraw/zinc/40/71/13/1384407113.db2.gz NBYXOYFJNWUCCB-IAGOWNOFSA-N 2 2 348.535 3.073 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151391 1384455349 /nfs/dbraw/zinc/45/53/49/1384455349.db2.gz IBBRAPXGDRDRKW-OSJSJHBBSA-N 2 2 334.508 3.353 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151391 1384455350 /nfs/dbraw/zinc/45/53/50/1384455350.db2.gz IBBRAPXGDRDRKW-OSJSJHBBSA-N 2 2 334.508 3.353 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153539 1384456044 /nfs/dbraw/zinc/45/60/44/1384456044.db2.gz ZLCKVIPPTGSNPS-OAHLLOKOSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153539 1384456046 /nfs/dbraw/zinc/45/60/46/1384456046.db2.gz ZLCKVIPPTGSNPS-OAHLLOKOSA-N 2 2 334.508 3.043 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171326180 1384495146 /nfs/dbraw/zinc/49/51/46/1384495146.db2.gz KQMZFVKOVIWBOE-AWEZNQCLSA-N 2 2 333.863 3.425 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171326180 1384495147 /nfs/dbraw/zinc/49/51/47/1384495147.db2.gz KQMZFVKOVIWBOE-AWEZNQCLSA-N 2 2 333.863 3.425 20 0 EGADLP Cc1[nH+]cn([C@@H]2CCc3c(F)cc(F)cc3C2)c1CSCC[NH3+] ZINC001171345715 1384498059 /nfs/dbraw/zinc/49/80/59/1384498059.db2.gz MJMQRHGDUQTYPX-CQSZACIVSA-N 2 2 337.439 3.392 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360178 1384502129 /nfs/dbraw/zinc/50/21/29/1384502129.db2.gz XKWMYBRRRXAWNB-BZUAXINKSA-N 2 2 334.508 3.214 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360178 1384502131 /nfs/dbraw/zinc/50/21/31/1384502131.db2.gz XKWMYBRRRXAWNB-BZUAXINKSA-N 2 2 334.508 3.214 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001171407305 1384514225 /nfs/dbraw/zinc/51/42/25/1384514225.db2.gz CIKKAHMGIROOBD-IAGOWNOFSA-N 2 2 340.487 3.095 20 0 EGADLP CC[C@H](C[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001171861011 1384663838 /nfs/dbraw/zinc/66/38/38/1384663838.db2.gz WXOAGGOWLNIORK-CRAIPNDOSA-N 2 2 349.519 3.310 20 0 EGADLP CC1(C)C[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171983554 1384704169 /nfs/dbraw/zinc/70/41/69/1384704169.db2.gz YBXMLBPPDXGJBY-HSALFYBXSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171983554 1384704172 /nfs/dbraw/zinc/70/41/72/1384704172.db2.gz YBXMLBPPDXGJBY-HSALFYBXSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983554 1384704175 /nfs/dbraw/zinc/70/41/75/1384704175.db2.gz YBXMLBPPDXGJBY-HSALFYBXSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983554 1384704176 /nfs/dbraw/zinc/70/41/76/1384704176.db2.gz YBXMLBPPDXGJBY-HSALFYBXSA-N 2 2 328.500 3.398 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705060 /nfs/dbraw/zinc/70/50/60/1384705060.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 2 327.516 3.208 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705063 /nfs/dbraw/zinc/70/50/63/1384705063.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 2 327.516 3.208 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705068 /nfs/dbraw/zinc/70/50/68/1384705068.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 2 327.516 3.208 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988268 1384705072 /nfs/dbraw/zinc/70/50/72/1384705072.db2.gz QOAXPLFTLGXFMO-SLFFLAALSA-N 2 2 327.516 3.208 20 0 EGADLP CCN(C1C[NH+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172084696 1384723934 /nfs/dbraw/zinc/72/39/34/1384723934.db2.gz CUMOONRHYUQHLC-ACDBMABISA-N 2 2 327.516 3.208 20 0 EGADLP CCN(C1C[NH+](C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172084696 1384723936 /nfs/dbraw/zinc/72/39/36/1384723936.db2.gz CUMOONRHYUQHLC-ACDBMABISA-N 2 2 327.516 3.208 20 0 EGADLP CC[N@H+](C1CN(C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172084696 1384723939 /nfs/dbraw/zinc/72/39/39/1384723939.db2.gz CUMOONRHYUQHLC-ACDBMABISA-N 2 2 327.516 3.208 20 0 EGADLP CC[N@@H+](C1CN(C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172084696 1384723940 /nfs/dbraw/zinc/72/39/40/1384723940.db2.gz CUMOONRHYUQHLC-ACDBMABISA-N 2 2 327.516 3.208 20 0 EGADLP CC[NH+](C1CN(C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172084696 1384723943 /nfs/dbraw/zinc/72/39/43/1384723943.db2.gz CUMOONRHYUQHLC-ACDBMABISA-N 2 2 327.516 3.208 20 0 EGADLP CC[NH+](C1CN(C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172084696 1384723946 /nfs/dbraw/zinc/72/39/46/1384723946.db2.gz CUMOONRHYUQHLC-ACDBMABISA-N 2 2 327.516 3.208 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119048 1384732264 /nfs/dbraw/zinc/73/22/64/1384732264.db2.gz RSYAAWYYUSYUAA-RDGPPVDQSA-N 3 2 349.563 3.013 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119048 1384732267 /nfs/dbraw/zinc/73/22/67/1384732267.db2.gz RSYAAWYYUSYUAA-RDGPPVDQSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119048 1384732269 /nfs/dbraw/zinc/73/22/69/1384732269.db2.gz RSYAAWYYUSYUAA-RDGPPVDQSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119048 1384732272 /nfs/dbraw/zinc/73/22/72/1384732272.db2.gz RSYAAWYYUSYUAA-RDGPPVDQSA-N 3 2 349.563 3.013 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120176 1384733479 /nfs/dbraw/zinc/73/34/79/1384733479.db2.gz ACFROAQBBSKNMR-IYWMVGAKSA-N 2 2 332.463 3.388 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120176 1384733481 /nfs/dbraw/zinc/73/34/81/1384733481.db2.gz ACFROAQBBSKNMR-IYWMVGAKSA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120176 1384733484 /nfs/dbraw/zinc/73/34/84/1384733484.db2.gz ACFROAQBBSKNMR-IYWMVGAKSA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120176 1384733485 /nfs/dbraw/zinc/73/34/85/1384733485.db2.gz ACFROAQBBSKNMR-IYWMVGAKSA-N 2 2 332.463 3.388 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339134 1384773505 /nfs/dbraw/zinc/77/35/05/1384773505.db2.gz PCSJDKATMQHAOR-IAGOWNOFSA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339134 1384773507 /nfs/dbraw/zinc/77/35/07/1384773507.db2.gz PCSJDKATMQHAOR-IAGOWNOFSA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001172339134 1384773508 /nfs/dbraw/zinc/77/35/08/1384773508.db2.gz PCSJDKATMQHAOR-IAGOWNOFSA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001172339134 1384773510 /nfs/dbraw/zinc/77/35/10/1384773510.db2.gz PCSJDKATMQHAOR-IAGOWNOFSA-N 2 2 336.524 3.133 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001172794081 1384854186 /nfs/dbraw/zinc/85/41/86/1384854186.db2.gz FEGSMTUXMQDPBQ-HOTGVXAUSA-N 2 2 332.444 3.047 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172923608 1384879487 /nfs/dbraw/zinc/87/94/87/1384879487.db2.gz NNTLYGZOTAZBOY-RTBURBONSA-N 2 2 332.488 3.207 20 0 EGADLP Fc1cc2c(cc1F)CC([NH2+]CC1C[NH+](Cc3ccccc3)C1)C2 ZINC001173471675 1384976654 /nfs/dbraw/zinc/97/66/54/1384976654.db2.gz QANZWUWYRUVRFF-UHFFFAOYSA-N 2 2 328.406 3.154 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173482002 1384979422 /nfs/dbraw/zinc/97/94/22/1384979422.db2.gz SMRVJHZNAATSRX-MRXNPFEDSA-N 2 2 330.378 3.289 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173482002 1384979427 /nfs/dbraw/zinc/97/94/27/1384979427.db2.gz SMRVJHZNAATSRX-MRXNPFEDSA-N 2 2 330.378 3.289 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001173606271 1384986858 /nfs/dbraw/zinc/98/68/58/1384986858.db2.gz JNYVBOFCCJXDTB-WXNRQPJFSA-N 2 2 334.504 3.105 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001173606271 1384986862 /nfs/dbraw/zinc/98/68/62/1384986862.db2.gz JNYVBOFCCJXDTB-WXNRQPJFSA-N 2 2 334.504 3.105 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001173630124 1384991994 /nfs/dbraw/zinc/99/19/94/1384991994.db2.gz FTLCKOZAZRHTSD-UFYCRDLUSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001173630124 1384991997 /nfs/dbraw/zinc/99/19/97/1384991997.db2.gz FTLCKOZAZRHTSD-UFYCRDLUSA-N 2 2 344.499 3.363 20 0 EGADLP C[NH+]1CCN(Cc2ccccc2Nc2cc[nH+]c3ccccc23)CC1 ZINC001174038166 1385048507 /nfs/dbraw/zinc/04/85/07/1385048507.db2.gz HEOUUGFEJARLRO-UHFFFAOYSA-N 2 2 332.451 3.148 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349921 1385099472 /nfs/dbraw/zinc/09/94/72/1385099472.db2.gz INOQLKOQWINQDB-MSOLQXFVSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349921 1385099473 /nfs/dbraw/zinc/09/94/73/1385099473.db2.gz INOQLKOQWINQDB-MSOLQXFVSA-N 2 2 346.519 3.330 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174581393 1385122288 /nfs/dbraw/zinc/12/22/88/1385122288.db2.gz QXBUQWIRGICUEU-GOSISDBHSA-N 2 2 346.519 3.428 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1cc(C)sc1C ZINC001317486603 1385184294 /nfs/dbraw/zinc/18/42/94/1385184294.db2.gz BMKUIBJMKWYKGB-AWEZNQCLSA-N 2 2 348.516 3.151 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1cc(C)sc1C ZINC001317486603 1385184296 /nfs/dbraw/zinc/18/42/96/1385184296.db2.gz BMKUIBJMKWYKGB-AWEZNQCLSA-N 2 2 348.516 3.151 20 0 EGADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1ccccc1Cl ZINC001317490475 1385190576 /nfs/dbraw/zinc/19/05/76/1385190576.db2.gz WPMJOKUQHQGCON-AWEZNQCLSA-N 2 2 348.878 3.044 20 0 EGADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@@H](C)c1ccccc1Cl ZINC001317490475 1385190578 /nfs/dbraw/zinc/19/05/78/1385190578.db2.gz WPMJOKUQHQGCON-AWEZNQCLSA-N 2 2 348.878 3.044 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175207666 1385219452 /nfs/dbraw/zinc/21/94/52/1385219452.db2.gz AFYJGJIPLZPUSM-XPQDNOAISA-N 2 2 346.519 3.451 20 0 EGADLP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCC(C)(C)CC1 ZINC001317546574 1385296774 /nfs/dbraw/zinc/29/67/74/1385296774.db2.gz GARPVVGXQPEUKK-UHFFFAOYSA-N 2 2 348.535 3.305 20 0 EGADLP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC1CCC(C)(C)CC1 ZINC001317546574 1385296777 /nfs/dbraw/zinc/29/67/77/1385296777.db2.gz GARPVVGXQPEUKK-UHFFFAOYSA-N 2 2 348.535 3.305 20 0 EGADLP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175504072 1385313744 /nfs/dbraw/zinc/31/37/44/1385313744.db2.gz XUOKKQFQODYNFR-IAGOWNOFSA-N 2 2 340.487 3.239 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638204 1385359454 /nfs/dbraw/zinc/35/94/54/1385359454.db2.gz MAXQQBPOSXMXLF-HUUCEWRRSA-N 2 2 348.516 3.115 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638204 1385359459 /nfs/dbraw/zinc/35/94/59/1385359459.db2.gz MAXQQBPOSXMXLF-HUUCEWRRSA-N 2 2 348.516 3.115 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175639299 1385360312 /nfs/dbraw/zinc/36/03/12/1385360312.db2.gz XYJJVFRJCVDKAL-HOTGVXAUSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175639299 1385360317 /nfs/dbraw/zinc/36/03/17/1385360317.db2.gz XYJJVFRJCVDKAL-HOTGVXAUSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880591 1385428448 /nfs/dbraw/zinc/42/84/48/1385428448.db2.gz AQJUYEXGWLDFSF-CABCVRRESA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176165241 1385500902 /nfs/dbraw/zinc/50/09/02/1385500902.db2.gz KFAJZEBMVKWUGE-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP C[NH+](C)CCOc1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001176229925 1385520204 /nfs/dbraw/zinc/52/02/04/1385520204.db2.gz VTFDDZKCRVSABO-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC001176829294 1385714973 /nfs/dbraw/zinc/71/49/73/1385714973.db2.gz KNWSUPUAFDIDNE-JKSUJKDBSA-N 2 2 346.450 3.048 20 0 EGADLP CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001176828536 1385715324 /nfs/dbraw/zinc/71/53/24/1385715324.db2.gz CBFBSCAHULTFCH-MJGOQNOKSA-N 2 2 342.487 3.299 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001318592099 1385775756 /nfs/dbraw/zinc/77/57/56/1385775756.db2.gz SCLSQXKSJDNOHB-CRAIPNDOSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCNc1ccccc1C ZINC001318603697 1385788462 /nfs/dbraw/zinc/78/84/62/1385788462.db2.gz IKGAJIDPAARTEJ-UHFFFAOYSA-N 2 2 335.411 3.325 20 0 EGADLP C[C@@H](CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1)n1cc[nH+]c1 ZINC001318655824 1385820053 /nfs/dbraw/zinc/82/00/53/1385820053.db2.gz LZXYBGQTCQLXEW-KRWDZBQOSA-N 2 2 340.471 3.053 20 0 EGADLP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339285 1385918936 /nfs/dbraw/zinc/91/89/36/1385918936.db2.gz BILURCFGTDVGHR-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339285 1385918937 /nfs/dbraw/zinc/91/89/37/1385918937.db2.gz BILURCFGTDVGHR-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177492439 1385978137 /nfs/dbraw/zinc/97/81/37/1385978137.db2.gz HDNALEQWSPZJMW-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001698633665 1406277575 /nfs/dbraw/zinc/27/75/75/1406277575.db2.gz JKSBRTCKWWYKSE-MRXNPFEDSA-N 2 2 340.471 3.040 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001178349985 1386194668 /nfs/dbraw/zinc/19/46/68/1386194668.db2.gz LOPIVTRVIRBSBB-QGZVFWFLSA-N 2 2 342.487 3.370 20 0 EGADLP CC(C)CC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178535338 1386243441 /nfs/dbraw/zinc/24/34/41/1386243441.db2.gz HUCRBAMVYPKVHX-UHFFFAOYSA-N 2 2 348.535 3.074 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178865736 1386333146 /nfs/dbraw/zinc/33/31/46/1386333146.db2.gz SDAOTPNCPLMVQK-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880137 1386337073 /nfs/dbraw/zinc/33/70/73/1386337073.db2.gz ISFPHXLFRRXIEB-QGZVFWFLSA-N 2 2 348.535 3.279 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880137 1386337076 /nfs/dbraw/zinc/33/70/76/1386337076.db2.gz ISFPHXLFRRXIEB-QGZVFWFLSA-N 2 2 348.535 3.279 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001320091360 1386505586 /nfs/dbraw/zinc/50/55/86/1386505586.db2.gz UIZWTGDOZCUSDJ-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001320091360 1386505589 /nfs/dbraw/zinc/50/55/89/1386505589.db2.gz UIZWTGDOZCUSDJ-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777360 1386581326 /nfs/dbraw/zinc/58/13/26/1386581326.db2.gz VFFOGWIZBWUZPG-OAHLLOKOSA-N 2 2 348.516 3.116 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777360 1386581328 /nfs/dbraw/zinc/58/13/28/1386581328.db2.gz VFFOGWIZBWUZPG-OAHLLOKOSA-N 2 2 348.516 3.116 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179777374 1386581994 /nfs/dbraw/zinc/58/19/94/1386581994.db2.gz VQLXNQCBNRKXTQ-QGZVFWFLSA-N 2 2 336.524 3.291 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179777374 1386581997 /nfs/dbraw/zinc/58/19/97/1386581997.db2.gz VQLXNQCBNRKXTQ-QGZVFWFLSA-N 2 2 336.524 3.291 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320438814 1386609846 /nfs/dbraw/zinc/60/98/46/1386609846.db2.gz HRLLTAZATJYOBE-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320438814 1386609848 /nfs/dbraw/zinc/60/98/48/1386609848.db2.gz HRLLTAZATJYOBE-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001180159131 1386717532 /nfs/dbraw/zinc/71/75/32/1386717532.db2.gz ZVOGFNJCQHSQFX-UHFFFAOYSA-N 2 2 334.508 3.107 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001180469683 1386806994 /nfs/dbraw/zinc/80/69/94/1386806994.db2.gz COGAZCUIYQVMTO-MOPGFXCFSA-N 2 2 348.535 3.366 20 0 EGADLP C[C@H](C[N@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001322220159 1387107891 /nfs/dbraw/zinc/10/78/91/1387107891.db2.gz ZSUUTAPKCFFIGS-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001322220159 1387107893 /nfs/dbraw/zinc/10/78/93/1387107893.db2.gz ZSUUTAPKCFFIGS-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP CCCC[N@H+](CC)[C@H](C(=O)NCCc1[nH]cc(C)[nH+]1)c1ccccc1 ZINC001182237021 1387129251 /nfs/dbraw/zinc/12/92/51/1387129251.db2.gz UNBPSODFGDIGBG-IBGZPJMESA-N 2 2 342.487 3.240 20 0 EGADLP CCCC[N@@H+](CC)[C@H](C(=O)NCCc1[nH]cc(C)[nH+]1)c1ccccc1 ZINC001182237021 1387129252 /nfs/dbraw/zinc/12/92/52/1387129252.db2.gz UNBPSODFGDIGBG-IBGZPJMESA-N 2 2 342.487 3.240 20 0 EGADLP CCCC[N@H+](CC)[C@@H](C(=O)NCCc1[nH]cc(C)[nH+]1)c1ccccc1 ZINC001182237022 1387129658 /nfs/dbraw/zinc/12/96/58/1387129658.db2.gz UNBPSODFGDIGBG-LJQANCHMSA-N 2 2 342.487 3.240 20 0 EGADLP CCCC[N@@H+](CC)[C@@H](C(=O)NCCc1[nH]cc(C)[nH+]1)c1ccccc1 ZINC001182237022 1387129661 /nfs/dbraw/zinc/12/96/61/1387129661.db2.gz UNBPSODFGDIGBG-LJQANCHMSA-N 2 2 342.487 3.240 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182856524 1387235758 /nfs/dbraw/zinc/23/57/58/1387235758.db2.gz WAPZMDZDEQAREU-SQGPQFPESA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182856524 1387235759 /nfs/dbraw/zinc/23/57/59/1387235759.db2.gz WAPZMDZDEQAREU-SQGPQFPESA-N 2 2 348.535 3.099 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855991 1387235786 /nfs/dbraw/zinc/23/57/86/1387235786.db2.gz NQQSDTNQOIAHEU-NJUCSYBDSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855991 1387235789 /nfs/dbraw/zinc/23/57/89/1387235789.db2.gz NQQSDTNQOIAHEU-NJUCSYBDSA-N 2 2 346.519 3.019 20 0 EGADLP CC[C@H](CC(F)(F)F)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001330564780 1389456066 /nfs/dbraw/zinc/45/60/66/1389456066.db2.gz QIVPYQIQOHBLAF-LLVKDONJSA-N 2 2 326.322 3.493 20 0 EGADLP Fc1ccc2oc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)cc2c1 ZINC001331579022 1389812357 /nfs/dbraw/zinc/81/23/57/1389812357.db2.gz GBHYOAJMUPYELL-UHFFFAOYSA-N 2 2 332.419 3.305 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001332807111 1390191528 /nfs/dbraw/zinc/19/15/28/1390191528.db2.gz OWDMJRIIGNETDZ-QGZVFWFLSA-N 2 2 334.508 3.043 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001332807111 1390191530 /nfs/dbraw/zinc/19/15/30/1390191530.db2.gz OWDMJRIIGNETDZ-QGZVFWFLSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc(C2CCC2)[nH+]1 ZINC001334173881 1390493215 /nfs/dbraw/zinc/49/32/15/1390493215.db2.gz UAHJMVPTDWOIDW-ZWKOTPCHSA-N 2 2 344.503 3.232 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)c1cc2c(s1)CC[NH2+]C2 ZINC001342898092 1390669744 /nfs/dbraw/zinc/66/97/44/1390669744.db2.gz OYFYGTXKBFSELI-UHFFFAOYSA-N 2 2 342.468 3.031 20 0 EGADLP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001353158510 1391947100 /nfs/dbraw/zinc/94/71/00/1391947100.db2.gz KXSXQEWPSAAQOD-QGZVFWFLSA-N 2 2 347.846 3.049 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001479371312 1392227230 /nfs/dbraw/zinc/22/72/30/1392227230.db2.gz MIQZHZGGWBHOCS-UAPYVXQJSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001479371312 1392227236 /nfs/dbraw/zinc/22/72/36/1392227236.db2.gz MIQZHZGGWBHOCS-UAPYVXQJSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479905827 1392473160 /nfs/dbraw/zinc/47/31/60/1392473160.db2.gz XDOCAWGKCKCMCP-ZWKOTPCHSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479905827 1392473161 /nfs/dbraw/zinc/47/31/61/1392473161.db2.gz XDOCAWGKCKCMCP-ZWKOTPCHSA-N 2 2 332.492 3.017 20 0 EGADLP CCCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CCC)CC1 ZINC001479993361 1392524806 /nfs/dbraw/zinc/52/48/06/1392524806.db2.gz PHJHSIVIGJEZFA-UHFFFAOYSA-N 2 2 328.460 3.061 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+][C@@H](C)c3ccccc3)ccn12 ZINC001481230349 1393151570 /nfs/dbraw/zinc/15/15/70/1393151570.db2.gz ODCZVUGUTAGZQF-INIZCTEOSA-N 2 2 336.439 3.066 20 0 EGADLP C[C@H](CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001481285766 1393158366 /nfs/dbraw/zinc/15/83/66/1393158366.db2.gz QDGBZBRPFIUPNA-CABCVRRESA-N 2 2 348.878 3.297 20 0 EGADLP CC(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698946735 1406687141 /nfs/dbraw/zinc/68/71/41/1406687141.db2.gz QCQJSXINLHPSPI-KSSFIOAISA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001490960288 1394384873 /nfs/dbraw/zinc/38/48/73/1394384873.db2.gz QFQCYTAHVZXRCP-FCGDIQPGSA-N 2 2 346.519 3.117 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001484759514 1395511332 /nfs/dbraw/zinc/51/13/32/1395511332.db2.gz GKQJQJMILSPRBM-SJORKVTESA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001484759514 1395511335 /nfs/dbraw/zinc/51/13/35/1395511335.db2.gz GKQJQJMILSPRBM-SJORKVTESA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001484759514 1395511338 /nfs/dbraw/zinc/51/13/38/1395511338.db2.gz GKQJQJMILSPRBM-SJORKVTESA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001484759514 1395511340 /nfs/dbraw/zinc/51/13/40/1395511340.db2.gz GKQJQJMILSPRBM-SJORKVTESA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001484761279 1395513649 /nfs/dbraw/zinc/51/36/49/1395513649.db2.gz CRNXFDKWEKUIER-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001484761279 1395513651 /nfs/dbraw/zinc/51/36/51/1395513651.db2.gz CRNXFDKWEKUIER-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001485949893 1396172630 /nfs/dbraw/zinc/17/26/30/1396172630.db2.gz VISSXKDAORVFGL-OLZOCXBDSA-N 2 2 348.878 3.112 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001498350793 1396971797 /nfs/dbraw/zinc/97/17/97/1396971797.db2.gz TUDAZGGZOKNVPU-QGZVFWFLSA-N 2 2 342.487 3.033 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001498350793 1396971799 /nfs/dbraw/zinc/97/17/99/1396971799.db2.gz TUDAZGGZOKNVPU-QGZVFWFLSA-N 2 2 342.487 3.033 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001690027619 1404266398 /nfs/dbraw/zinc/26/63/98/1404266398.db2.gz SCSAQHNIMRVEBG-QZTJIDSGSA-N 2 2 348.535 3.439 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001690040220 1404275245 /nfs/dbraw/zinc/27/52/45/1404275245.db2.gz NZGIVAGSVQSDHQ-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001690040220 1404275247 /nfs/dbraw/zinc/27/52/47/1404275247.db2.gz NZGIVAGSVQSDHQ-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001690040220 1404275249 /nfs/dbraw/zinc/27/52/49/1404275249.db2.gz NZGIVAGSVQSDHQ-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001690040220 1404275252 /nfs/dbraw/zinc/27/52/52/1404275252.db2.gz NZGIVAGSVQSDHQ-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001690114007 1404309743 /nfs/dbraw/zinc/30/97/43/1404309743.db2.gz AGXWCIMSTQKBBN-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001690114007 1404309747 /nfs/dbraw/zinc/30/97/47/1404309747.db2.gz AGXWCIMSTQKBBN-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+][C@H](C)c1ccccc1 ZINC001690606056 1404649221 /nfs/dbraw/zinc/64/92/21/1404649221.db2.gz FRHFSUDXACSSOS-IAGOWNOFSA-N 2 2 348.450 3.341 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001690777779 1404727046 /nfs/dbraw/zinc/72/70/46/1404727046.db2.gz RHLXKUKNFLISQB-BJYXUANLSA-N 2 2 335.879 3.390 20 0 EGADLP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725178981 1425700104 /nfs/dbraw/zinc/70/01/04/1425700104.db2.gz RZYGRFNHWNVAHH-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725178981 1425700108 /nfs/dbraw/zinc/70/01/08/1425700108.db2.gz RZYGRFNHWNVAHH-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047711 1404960305 /nfs/dbraw/zinc/96/03/05/1404960305.db2.gz FHOBDJIRHOLMPA-NVXWUHKLSA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047711 1404960307 /nfs/dbraw/zinc/96/03/07/1404960307.db2.gz FHOBDJIRHOLMPA-NVXWUHKLSA-N 2 2 342.487 3.391 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731776130 1427892450 /nfs/dbraw/zinc/89/24/50/1427892450.db2.gz NXAUWSOZBGYFEY-HNNXBMFYSA-N 2 2 336.439 3.294 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731776130 1427892460 /nfs/dbraw/zinc/89/24/60/1427892460.db2.gz NXAUWSOZBGYFEY-HNNXBMFYSA-N 2 2 336.439 3.294 20 0 EGADLP C[C@H](CC(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001699773264 1413180694 /nfs/dbraw/zinc/18/06/94/1413180694.db2.gz NFZXTEQWORDZHK-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)C[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001699796898 1413205883 /nfs/dbraw/zinc/20/58/83/1413205883.db2.gz WMSTVWQDHIONFT-SFHVURJKSA-N 2 2 328.460 3.097 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001700190455 1413618751 /nfs/dbraw/zinc/61/87/51/1413618751.db2.gz COKXBOMZZPDUAT-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001700190455 1413618756 /nfs/dbraw/zinc/61/87/56/1413618756.db2.gz COKXBOMZZPDUAT-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001700190455 1413618760 /nfs/dbraw/zinc/61/87/60/1413618760.db2.gz COKXBOMZZPDUAT-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001700190455 1413618765 /nfs/dbraw/zinc/61/87/65/1413618765.db2.gz COKXBOMZZPDUAT-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001700529417 1414194501 /nfs/dbraw/zinc/19/45/01/1414194501.db2.gz UGFUFQAKDJJPAB-GOSISDBHSA-N 2 2 348.535 3.150 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001700529417 1414194507 /nfs/dbraw/zinc/19/45/07/1414194507.db2.gz UGFUFQAKDJJPAB-GOSISDBHSA-N 2 2 348.535 3.150 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001700619376 1414287898 /nfs/dbraw/zinc/28/78/98/1414287898.db2.gz JCCKCAJMJKQJSD-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001700619376 1414287899 /nfs/dbraw/zinc/28/78/99/1414287899.db2.gz JCCKCAJMJKQJSD-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CCCC1 ZINC001700755907 1414426757 /nfs/dbraw/zinc/42/67/57/1414426757.db2.gz WGZLTKZQGSCCMK-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001700994821 1414641550 /nfs/dbraw/zinc/64/15/50/1414641550.db2.gz KSWAJGCLMLSAAY-MRXNPFEDSA-N 2 2 348.535 3.289 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001732996440 1429120057 /nfs/dbraw/zinc/12/00/57/1429120057.db2.gz KXPDXLRXQYOSOJ-CABCVRRESA-N 2 2 330.476 3.033 20 0 EGADLP Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001713325799 1417950271 /nfs/dbraw/zinc/95/02/71/1417950271.db2.gz WCNLHLVMOJBVIT-KRWDZBQOSA-N 2 2 339.483 3.266 20 0 EGADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]C/C=C/c1ccccc1 ZINC001713412491 1418035978 /nfs/dbraw/zinc/03/59/78/1418035978.db2.gz QKQDQLJCIOVFII-RCMYXZNBSA-N 2 2 348.450 3.146 20 0 EGADLP CC[C@H]([NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001713605973 1418391406 /nfs/dbraw/zinc/39/14/06/1418391406.db2.gz VBIYBIGHAZAERA-KRWDZBQOSA-N 2 2 336.439 3.376 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131105 1418934654 /nfs/dbraw/zinc/93/46/54/1418934654.db2.gz BYZUDUHPRJCDQS-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001714151317 1418957824 /nfs/dbraw/zinc/95/78/24/1418957824.db2.gz LZZACOKSFGOWOO-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP C[C@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553817 1419281316 /nfs/dbraw/zinc/28/13/16/1419281316.db2.gz YVVTWNSATPZHRU-DLBZAZTESA-N 2 2 342.487 3.212 20 0 EGADLP C[C@H]1CCC[C@H](CC[N@@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553817 1419281317 /nfs/dbraw/zinc/28/13/17/1419281317.db2.gz YVVTWNSATPZHRU-DLBZAZTESA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715664513 1420285212 /nfs/dbraw/zinc/28/52/12/1420285212.db2.gz WJCPSUHCGIYIGZ-CXAGYDPISA-N 2 2 348.878 3.097 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001715937372 1420408022 /nfs/dbraw/zinc/40/80/22/1420408022.db2.gz JRAZEPMGSKAXEX-HZPDHXFCSA-N 2 2 325.456 3.476 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)c1 ZINC001716404504 1420637116 /nfs/dbraw/zinc/63/71/16/1420637116.db2.gz OEBYXFYZZXBTTA-HZPDHXFCSA-N 2 2 336.439 3.112 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653444 1420806370 /nfs/dbraw/zinc/80/63/70/1420806370.db2.gz IDSSXMFMBOWHMU-ZBFHGGJFSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653444 1420806372 /nfs/dbraw/zinc/80/63/72/1420806372.db2.gz IDSSXMFMBOWHMU-ZBFHGGJFSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001716653444 1420806374 /nfs/dbraw/zinc/80/63/74/1420806374.db2.gz IDSSXMFMBOWHMU-ZBFHGGJFSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653444 1420806376 /nfs/dbraw/zinc/80/63/76/1420806376.db2.gz IDSSXMFMBOWHMU-ZBFHGGJFSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001717115145 1421118928 /nfs/dbraw/zinc/11/89/28/1421118928.db2.gz JJIADHJFWRDUIR-INIZCTEOSA-N 2 2 348.450 3.119 20 0 EGADLP C[C@H](CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001733361097 1429545123 /nfs/dbraw/zinc/54/51/23/1429545123.db2.gz LLHBQBMEYSXWEH-QGZVFWFLSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001725590250 1426246021 /nfs/dbraw/zinc/24/60/21/1426246021.db2.gz KNWLVMOUTAFKTR-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@H]3[C@@H](C)[NH2+]CC(C)C)ccn12 ZINC001731293805 1427236229 /nfs/dbraw/zinc/23/62/29/1427236229.db2.gz SEKCPLJSFUKQNT-AEFFLSMTSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733880180 1437706955 /nfs/dbraw/zinc/70/69/55/1437706955.db2.gz YUJCGCPEFRLPBC-MAUKXSAKSA-N 2 2 348.535 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733880180 1437706956 /nfs/dbraw/zinc/70/69/56/1437706956.db2.gz YUJCGCPEFRLPBC-MAUKXSAKSA-N 2 2 348.535 3.160 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733937893 1437753110 /nfs/dbraw/zinc/75/31/10/1437753110.db2.gz DFEPPFUTAVBUNH-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733937893 1437753113 /nfs/dbraw/zinc/75/31/13/1437753113.db2.gz DFEPPFUTAVBUNH-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP CCC[NH2+][C@H](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001734077243 1437865213 /nfs/dbraw/zinc/86/52/13/1437865213.db2.gz AXXGMLUEOWICRV-LJQANCHMSA-N 2 2 342.487 3.359 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001734104305 1437890324 /nfs/dbraw/zinc/89/03/24/1437890324.db2.gz SIAIESUVLVNRTK-GOSISDBHSA-N 2 2 334.508 3.070 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001734104305 1437890325 /nfs/dbraw/zinc/89/03/25/1437890325.db2.gz SIAIESUVLVNRTK-GOSISDBHSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752159800 1440148626 /nfs/dbraw/zinc/14/86/26/1440148626.db2.gz UAUMHRRYQWOKSF-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001752442209 1440181595 /nfs/dbraw/zinc/18/15/95/1440181595.db2.gz PZTINQOHCGUIIH-UHFFFAOYSA-N 2 2 348.535 3.102 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1Cl ZINC001752882714 1440239264 /nfs/dbraw/zinc/23/92/64/1440239264.db2.gz BJCDOVDLKKQPDA-GFCCVEGCSA-N 2 2 342.830 3.124 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029365 1440272465 /nfs/dbraw/zinc/27/24/65/1440272465.db2.gz CGSXZZXPPBTDEB-CVEARBPZSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@@H](F)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029365 1440272466 /nfs/dbraw/zinc/27/24/66/1440272466.db2.gz CGSXZZXPPBTDEB-CVEARBPZSA-N 2 2 346.450 3.285 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753438228 1440400656 /nfs/dbraw/zinc/40/06/56/1440400656.db2.gz UWIZTXIVSVZCSZ-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP CCCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753438228 1440400657 /nfs/dbraw/zinc/40/06/57/1440400657.db2.gz UWIZTXIVSVZCSZ-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)C1 ZINC001753669571 1440461524 /nfs/dbraw/zinc/46/15/24/1440461524.db2.gz WXCHGZXWYZGKKA-IAGOWNOFSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001753807577 1440491994 /nfs/dbraw/zinc/49/19/94/1440491994.db2.gz OLFTVUIFTWSUPL-SJORKVTESA-N 2 2 348.535 3.006 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001754018628 1440532150 /nfs/dbraw/zinc/53/21/50/1440532150.db2.gz WFQUMXAGMZWZQR-OLZOCXBDSA-N 2 2 348.878 3.160 20 0 EGADLP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754054202 1440536040 /nfs/dbraw/zinc/53/60/40/1440536040.db2.gz SIBWWUNNXKRXJE-UHFFFAOYSA-N 2 2 336.439 3.123 20 0 EGADLP CCN(CC[NH2+]CCc1ccccc1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001754057708 1440536584 /nfs/dbraw/zinc/53/65/84/1440536584.db2.gz DHIHMJDMYZFUQH-UHFFFAOYSA-N 2 2 339.483 3.301 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001754139285 1440544183 /nfs/dbraw/zinc/54/41/83/1440544183.db2.gz ZHONNGDNFGNIMB-FPLPWBNLSA-N 2 2 344.503 3.079 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754225051 1440553070 /nfs/dbraw/zinc/55/30/70/1440553070.db2.gz IBCJMHOFIUELTF-LQYUOIDQSA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001754556732 1440632008 /nfs/dbraw/zinc/63/20/08/1440632008.db2.gz GKNIDTDXYXTSAF-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001754556732 1440632009 /nfs/dbraw/zinc/63/20/09/1440632009.db2.gz GKNIDTDXYXTSAF-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001754556732 1440632010 /nfs/dbraw/zinc/63/20/10/1440632010.db2.gz GKNIDTDXYXTSAF-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001754556732 1440632011 /nfs/dbraw/zinc/63/20/11/1440632011.db2.gz GKNIDTDXYXTSAF-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001754831705 1440695669 /nfs/dbraw/zinc/69/56/69/1440695669.db2.gz LRBWMYIYWHLMHG-REPLKXPHSA-N 2 2 346.519 3.069 20 0 EGADLP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001754831705 1440695670 /nfs/dbraw/zinc/69/56/70/1440695670.db2.gz LRBWMYIYWHLMHG-REPLKXPHSA-N 2 2 346.519 3.069 20 0 EGADLP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001755026401 1440728906 /nfs/dbraw/zinc/72/89/06/1440728906.db2.gz OLIMZWOFBZXFCN-CTWPCTMYSA-N 2 2 346.519 3.070 20 0 EGADLP CC1CCC(C[N@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001755026401 1440728907 /nfs/dbraw/zinc/72/89/07/1440728907.db2.gz OLIMZWOFBZXFCN-CTWPCTMYSA-N 2 2 346.519 3.070 20 0 EGADLP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001755039129 1440736077 /nfs/dbraw/zinc/73/60/77/1440736077.db2.gz OCYRWKWLEIAXNZ-UHFFFAOYSA-N 2 2 340.471 3.229 20 0 EGADLP CN(CCC[N@@H+](C)CC1=CCCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001755039129 1440736078 /nfs/dbraw/zinc/73/60/78/1440736078.db2.gz OCYRWKWLEIAXNZ-UHFFFAOYSA-N 2 2 340.471 3.229 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCCCCC1 ZINC001755343234 1440826012 /nfs/dbraw/zinc/82/60/12/1440826012.db2.gz RKNFXRUTBLQPJZ-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CCC1CCCCC1 ZINC001755371361 1440837298 /nfs/dbraw/zinc/83/72/98/1440837298.db2.gz QBJPDLBIZWNLSQ-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CCC1CCCCC1 ZINC001755371361 1440837299 /nfs/dbraw/zinc/83/72/99/1440837299.db2.gz QBJPDLBIZWNLSQ-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001755757461 1440914366 /nfs/dbraw/zinc/91/43/66/1440914366.db2.gz NMTACIWSOPGHBO-ROUUACIJSA-N 2 2 346.519 3.263 20 0 EGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814666 720196746 /nfs/dbraw/zinc/19/67/46/720196746.db2.gz VWXUWSFTNMLQAR-RXVVDRJESA-N 2 2 341.499 3.144 20 0 EGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814666 720196750 /nfs/dbraw/zinc/19/67/50/720196750.db2.gz VWXUWSFTNMLQAR-RXVVDRJESA-N 2 2 341.499 3.144 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000368131981 168314453 /nfs/dbraw/zinc/31/44/53/168314453.db2.gz CVLBDTMPGCCXAT-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000368131981 168314457 /nfs/dbraw/zinc/31/44/57/168314457.db2.gz CVLBDTMPGCCXAT-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531041 168369217 /nfs/dbraw/zinc/36/92/17/168369217.db2.gz SDYKAFBJIQXQGT-HLAWJBBLSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531041 168369219 /nfs/dbraw/zinc/36/92/19/168369219.db2.gz SDYKAFBJIQXQGT-HLAWJBBLSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531041 168369221 /nfs/dbraw/zinc/36/92/21/168369221.db2.gz SDYKAFBJIQXQGT-HLAWJBBLSA-N 3 2 329.532 3.219 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576990 168376719 /nfs/dbraw/zinc/37/67/19/168376719.db2.gz UBVKYMFPZYBNQU-RDJZCZTQSA-N 2 2 343.446 3.402 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576990 168376721 /nfs/dbraw/zinc/37/67/21/168376721.db2.gz UBVKYMFPZYBNQU-RDJZCZTQSA-N 2 2 343.446 3.402 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000348877466 282232663 /nfs/dbraw/zinc/23/26/63/282232663.db2.gz HCLSQPWTGRUKLG-ROUUACIJSA-N 2 2 349.906 3.030 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000221823467 282308653 /nfs/dbraw/zinc/30/86/53/282308653.db2.gz MEZWMNWDJYIFIK-BEFAXECRSA-N 3 2 344.528 3.382 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000221823467 282308654 /nfs/dbraw/zinc/30/86/54/282308654.db2.gz MEZWMNWDJYIFIK-BEFAXECRSA-N 3 2 344.528 3.382 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)oc21 ZINC000181782595 234322160 /nfs/dbraw/zinc/32/21/60/234322160.db2.gz QVDDRZGHAZVYDX-HUUCEWRRSA-N 2 2 332.444 3.060 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000184335388 235370367 /nfs/dbraw/zinc/37/03/67/235370367.db2.gz HJJLULFGDDEQRK-MRXNPFEDSA-N 2 2 336.476 3.032 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)cc2)c[nH+]1 ZINC000030900232 202200657 /nfs/dbraw/zinc/20/06/57/202200657.db2.gz AQLZFDGFGWFJAZ-UHFFFAOYSA-N 2 2 333.439 3.157 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)[C@@H]1C ZINC000354123841 291122280 /nfs/dbraw/zinc/12/22/80/291122280.db2.gz CZHREYIBILJAQD-XGXHKWSGSA-N 2 2 332.488 3.165 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353504812 299296478 /nfs/dbraw/zinc/29/64/78/299296478.db2.gz UBTVROKGGHIIQX-KRWDZBQOSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353504812 299296481 /nfs/dbraw/zinc/29/64/81/299296481.db2.gz UBTVROKGGHIIQX-KRWDZBQOSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836108 201052342 /nfs/dbraw/zinc/05/23/42/201052342.db2.gz VDEMVRZOXWQUBT-IEBWSBKVSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836108 201052345 /nfs/dbraw/zinc/05/23/45/201052345.db2.gz VDEMVRZOXWQUBT-IEBWSBKVSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272161146 201248911 /nfs/dbraw/zinc/24/89/11/201248911.db2.gz FSVQXXIFKQMEFU-GDBMZVCRSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272161146 201248914 /nfs/dbraw/zinc/24/89/14/201248914.db2.gz FSVQXXIFKQMEFU-GDBMZVCRSA-N 2 2 334.414 3.278 20 0 EGADLP CCCn1ncnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282489622 201335075 /nfs/dbraw/zinc/33/50/75/201335075.db2.gz MIXZMBUYQACCMZ-SFHVURJKSA-N 2 2 341.503 3.078 20 0 EGADLP CCCn1ncnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282489622 201335079 /nfs/dbraw/zinc/33/50/79/201335079.db2.gz MIXZMBUYQACCMZ-SFHVURJKSA-N 2 2 341.503 3.078 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151366940 201391365 /nfs/dbraw/zinc/39/13/65/201391365.db2.gz DTHSVPKVSAVVJW-RSPOEFSDSA-N 2 2 346.540 3.151 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151366940 201391368 /nfs/dbraw/zinc/39/13/68/201391368.db2.gz DTHSVPKVSAVVJW-RSPOEFSDSA-N 2 2 346.540 3.151 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000247163133 243386705 /nfs/dbraw/zinc/38/67/05/243386705.db2.gz AMQIWXUSSYPHOP-DNVCBOLYSA-N 2 2 339.439 3.286 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000247163133 243386712 /nfs/dbraw/zinc/38/67/12/243386712.db2.gz AMQIWXUSSYPHOP-DNVCBOLYSA-N 2 2 339.439 3.286 20 0 EGADLP C[NH+]1CCC(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000073011743 203254150 /nfs/dbraw/zinc/25/41/50/203254150.db2.gz DKSKMQKKVFBPAN-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858453 203248529 /nfs/dbraw/zinc/24/85/29/203248529.db2.gz RRXZPDJQDVMTID-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858453 203248533 /nfs/dbraw/zinc/24/85/33/203248533.db2.gz RRXZPDJQDVMTID-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858453 203248536 /nfs/dbraw/zinc/24/85/36/203248536.db2.gz RRXZPDJQDVMTID-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858453 203248539 /nfs/dbraw/zinc/24/85/39/203248539.db2.gz RRXZPDJQDVMTID-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000074991390 203298394 /nfs/dbraw/zinc/29/83/94/203298394.db2.gz GISQXMQZGWRROW-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000074991390 203298398 /nfs/dbraw/zinc/29/83/98/203298398.db2.gz GISQXMQZGWRROW-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000074991390 203298400 /nfs/dbraw/zinc/29/84/00/203298400.db2.gz GISQXMQZGWRROW-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000074991390 203298404 /nfs/dbraw/zinc/29/84/04/203298404.db2.gz GISQXMQZGWRROW-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](Cc1nnc(C(C)C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108537 203338796 /nfs/dbraw/zinc/33/87/96/203338796.db2.gz UJAHGBQLVINELT-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP CC[N@H+](Cc1nnc(C(C)C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108537 203338797 /nfs/dbraw/zinc/33/87/97/203338797.db2.gz UJAHGBQLVINELT-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP CCc1noc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000112086415 204382570 /nfs/dbraw/zinc/38/25/70/204382570.db2.gz KRSRZMYNWTVJKW-AWEZNQCLSA-N 2 2 337.427 3.063 20 0 EGADLP CCn1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000112095791 204382798 /nfs/dbraw/zinc/38/27/98/204382798.db2.gz OGXHDMLHVOMDAK-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126694325 205068206 /nfs/dbraw/zinc/06/82/06/205068206.db2.gz LWWIKTPAOTXKSI-KGLIPLIRSA-N 2 2 348.491 3.446 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000156312024 206069974 /nfs/dbraw/zinc/06/99/74/206069974.db2.gz WYHIWXNSPFAQQI-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000156312024 206069979 /nfs/dbraw/zinc/06/99/79/206069979.db2.gz WYHIWXNSPFAQQI-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc([S@](C)=O)cc1 ZINC000156252443 206065866 /nfs/dbraw/zinc/06/58/66/206065866.db2.gz BHGDRHOGTLGWHV-IZHWHUGBSA-N 2 2 343.496 3.139 20 0 EGADLP C[C@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156395444 206075522 /nfs/dbraw/zinc/07/55/22/206075522.db2.gz CCLFWKHEYWYUSW-AWEZNQCLSA-N 2 2 340.393 3.407 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000162045114 206381729 /nfs/dbraw/zinc/38/17/29/206381729.db2.gz HPWYDEGTKWWFTA-KRWDZBQOSA-N 2 2 344.455 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000377261716 169004077 /nfs/dbraw/zinc/00/40/77/169004077.db2.gz KKSXNJUTAVUVOG-GOSISDBHSA-N 2 2 346.519 3.076 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000377261716 169004078 /nfs/dbraw/zinc/00/40/78/169004078.db2.gz KKSXNJUTAVUVOG-GOSISDBHSA-N 2 2 346.519 3.076 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367587 169109260 /nfs/dbraw/zinc/10/92/60/169109260.db2.gz DMLABODLWBUCCH-KBMXLJTQSA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367587 169109261 /nfs/dbraw/zinc/10/92/61/169109261.db2.gz DMLABODLWBUCCH-KBMXLJTQSA-N 2 2 337.533 3.124 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378397484 169114158 /nfs/dbraw/zinc/11/41/58/169114158.db2.gz BCWPVVCYAPRJMJ-KGLIPLIRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378397484 169114159 /nfs/dbraw/zinc/11/41/59/169114159.db2.gz BCWPVVCYAPRJMJ-KGLIPLIRSA-N 2 2 339.277 3.174 20 0 EGADLP Fc1ccc2nc([C@H]3CCC[N@H+](CCCn4cc[nH+]c4)C3)oc2c1 ZINC000378440608 169121537 /nfs/dbraw/zinc/12/15/37/169121537.db2.gz CODQBXCRZJKZJN-AWEZNQCLSA-N 2 2 328.391 3.433 20 0 EGADLP Fc1ccc2nc([C@H]3CCC[N@@H+](CCCn4cc[nH+]c4)C3)oc2c1 ZINC000378440608 169121540 /nfs/dbraw/zinc/12/15/40/169121540.db2.gz CODQBXCRZJKZJN-AWEZNQCLSA-N 2 2 328.391 3.433 20 0 EGADLP O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000378522304 169135225 /nfs/dbraw/zinc/13/52/25/169135225.db2.gz XDQVDTPHGJQCFR-FQEVSTJZSA-N 2 2 337.398 3.105 20 0 EGADLP O[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000378522304 169135228 /nfs/dbraw/zinc/13/52/28/169135228.db2.gz XDQVDTPHGJQCFR-FQEVSTJZSA-N 2 2 337.398 3.105 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000360968458 284691721 /nfs/dbraw/zinc/69/17/21/284691721.db2.gz KFBFEMDMJPBLIE-ZCNNSNEGSA-N 2 2 345.531 3.306 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000174226019 207000731 /nfs/dbraw/zinc/00/07/31/207000731.db2.gz KMBFLRGBHXFCQK-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000174226019 207000733 /nfs/dbraw/zinc/00/07/33/207000733.db2.gz KMBFLRGBHXFCQK-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)c1ccccc1 ZINC000267390890 251013689 /nfs/dbraw/zinc/01/36/89/251013689.db2.gz OPKPLFKGFLVBLO-KRWDZBQOSA-N 2 2 336.439 3.477 20 0 EGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)c1ccccc1 ZINC000267390890 251013694 /nfs/dbraw/zinc/01/36/94/251013694.db2.gz OPKPLFKGFLVBLO-KRWDZBQOSA-N 2 2 336.439 3.477 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC(F)F)c(OC)c1 ZINC000175591673 207140710 /nfs/dbraw/zinc/14/07/10/207140710.db2.gz TZUPIAGPJKWGSP-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC(F)F)c(OC)c1 ZINC000175591673 207140714 /nfs/dbraw/zinc/14/07/14/207140714.db2.gz TZUPIAGPJKWGSP-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)c(OC)c1 ZINC000175591673 207140719 /nfs/dbraw/zinc/14/07/19/207140719.db2.gz TZUPIAGPJKWGSP-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(F)F)c(OC)c1 ZINC000175591673 207140721 /nfs/dbraw/zinc/14/07/21/207140721.db2.gz TZUPIAGPJKWGSP-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP c1cn(-c2ccc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)cn2)c[nH+]1 ZINC000177044091 207287167 /nfs/dbraw/zinc/28/71/67/207287167.db2.gz ZIERSCNQYXEWSW-FQEVSTJZSA-N 2 2 348.450 3.449 20 0 EGADLP c1cn(-c2ccc(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)cn2)c[nH+]1 ZINC000177044091 207287169 /nfs/dbraw/zinc/28/71/69/207287169.db2.gz ZIERSCNQYXEWSW-FQEVSTJZSA-N 2 2 348.450 3.449 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000268854067 252301866 /nfs/dbraw/zinc/30/18/66/252301866.db2.gz XGOYJFAKLFNHCN-KBPBESRZSA-N 2 2 327.407 3.256 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204325 285369664 /nfs/dbraw/zinc/36/96/64/285369664.db2.gz FCWHJRCHBGSVRJ-CBJHCWRLSA-N 2 2 349.563 3.361 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204325 285369665 /nfs/dbraw/zinc/36/96/65/285369665.db2.gz FCWHJRCHBGSVRJ-CBJHCWRLSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204325 285369666 /nfs/dbraw/zinc/36/96/66/285369666.db2.gz FCWHJRCHBGSVRJ-CBJHCWRLSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204325 285369667 /nfs/dbraw/zinc/36/96/67/285369667.db2.gz FCWHJRCHBGSVRJ-CBJHCWRLSA-N 2 2 349.563 3.361 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000677803941 549333930 /nfs/dbraw/zinc/33/39/30/549333930.db2.gz CBJJYZJESZWFME-UFYCRDLUSA-N 2 2 327.516 3.256 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000677803941 549333935 /nfs/dbraw/zinc/33/39/35/549333935.db2.gz CBJJYZJESZWFME-UFYCRDLUSA-N 2 2 327.516 3.256 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246891487 141041270 /nfs/dbraw/zinc/04/12/70/141041270.db2.gz BMPQDUYEZNMJGS-SJLPKXTDSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246891487 141041272 /nfs/dbraw/zinc/04/12/72/141041272.db2.gz BMPQDUYEZNMJGS-SJLPKXTDSA-N 2 2 347.478 3.411 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000246964811 141046509 /nfs/dbraw/zinc/04/65/09/141046509.db2.gz JASYFEVXLWVGBS-FXAWDEMLSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000246964811 141046510 /nfs/dbraw/zinc/04/65/10/141046510.db2.gz JASYFEVXLWVGBS-FXAWDEMLSA-N 2 2 331.504 3.231 20 0 EGADLP c1ccc2c(c1)SC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341263164 141146282 /nfs/dbraw/zinc/14/62/82/141146282.db2.gz BZGJEXFMRPRAMA-GOSISDBHSA-N 2 2 325.481 3.483 20 0 EGADLP O[C@@]1(C[NH2+]Cc2c(F)cccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344522925 141168404 /nfs/dbraw/zinc/16/84/04/141168404.db2.gz IJXXJCJGGNSROA-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP O[C@@]1(C[NH2+]Cc2c(F)cccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344522925 141168406 /nfs/dbraw/zinc/16/84/06/141168406.db2.gz IJXXJCJGGNSROA-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346284935 141191184 /nfs/dbraw/zinc/19/11/84/141191184.db2.gz ZIYNWDADNNARQG-IBGZPJMESA-N 2 2 348.441 3.239 20 0 EGADLP CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000346480644 141203611 /nfs/dbraw/zinc/20/36/11/141203611.db2.gz LWYKBJNTJJDRFR-UHFFFAOYSA-N 2 2 329.444 3.424 20 0 EGADLP CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000346480644 141203612 /nfs/dbraw/zinc/20/36/12/141203612.db2.gz LWYKBJNTJJDRFR-UHFFFAOYSA-N 2 2 329.444 3.424 20 0 EGADLP COC(=O)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000347968157 141225547 /nfs/dbraw/zinc/22/55/47/141225547.db2.gz UMJPSPISTRNHBQ-LJQANCHMSA-N 2 2 341.455 3.474 20 0 EGADLP C[C@@H]1CCSCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151250 141239784 /nfs/dbraw/zinc/23/97/84/141239784.db2.gz MUFHWPJJSIYYPT-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CCSCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151250 141239786 /nfs/dbraw/zinc/23/97/86/141239786.db2.gz MUFHWPJJSIYYPT-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CCSCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348151250 141239789 /nfs/dbraw/zinc/23/97/89/141239789.db2.gz MUFHWPJJSIYYPT-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CCSCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348151250 141239791 /nfs/dbraw/zinc/23/97/91/141239791.db2.gz MUFHWPJJSIYYPT-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP Fc1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)CCO2)cc1 ZINC000350549028 141252490 /nfs/dbraw/zinc/25/24/90/141252490.db2.gz ASUWLHSDYHGJBM-WMZOPIPTSA-N 2 2 325.387 3.483 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352967092 141279260 /nfs/dbraw/zinc/27/92/60/141279260.db2.gz KSVRLHOIGDXVRB-PGUXBMHVSA-N 2 2 344.425 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352967092 141279262 /nfs/dbraw/zinc/27/92/62/141279262.db2.gz KSVRLHOIGDXVRB-PGUXBMHVSA-N 2 2 344.425 3.196 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)[NH+]2CCCC2)c1 ZINC000356851000 141354420 /nfs/dbraw/zinc/35/44/20/141354420.db2.gz QPQBINJUEMCIML-QRFRQXIXSA-N 2 2 332.488 3.237 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1 ZINC000186951471 144148097 /nfs/dbraw/zinc/14/80/97/144148097.db2.gz SQNAXOLVWGPVDM-GUDVDZBRSA-N 2 2 334.891 3.462 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@@H+]1C ZINC000344621506 144200638 /nfs/dbraw/zinc/20/06/38/144200638.db2.gz GEEGDJYUDVKJGI-GXTWGEPZSA-N 2 2 345.468 3.111 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@H+]1C ZINC000344621506 144200639 /nfs/dbraw/zinc/20/06/39/144200639.db2.gz GEEGDJYUDVKJGI-GXTWGEPZSA-N 2 2 345.468 3.111 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344723523 144215549 /nfs/dbraw/zinc/21/55/49/144215549.db2.gz KWJAJWSSBIBESP-AZUAARDMSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344723523 144215551 /nfs/dbraw/zinc/21/55/51/144215551.db2.gz KWJAJWSSBIBESP-AZUAARDMSA-N 3 2 329.532 3.219 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344790939 144224931 /nfs/dbraw/zinc/22/49/31/144224931.db2.gz PVQKUEWCVOHUJB-QAPCUYQASA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344790939 144224933 /nfs/dbraw/zinc/22/49/33/144224933.db2.gz PVQKUEWCVOHUJB-QAPCUYQASA-N 2 2 342.439 3.209 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH]c2cccc(Cl)c2[nH+]1 ZINC000351562405 144279895 /nfs/dbraw/zinc/27/98/95/144279895.db2.gz AZTNMNAQRGXFKU-UHFFFAOYSA-N 2 2 338.802 3.139 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000351567269 144281197 /nfs/dbraw/zinc/28/11/97/144281197.db2.gz HITVTOGEULCTGX-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000351567269 144281198 /nfs/dbraw/zinc/28/11/98/144281198.db2.gz HITVTOGEULCTGX-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(F)cc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000351567269 144281200 /nfs/dbraw/zinc/28/12/00/144281200.db2.gz HITVTOGEULCTGX-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(F)cc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000351567269 144281202 /nfs/dbraw/zinc/28/12/02/144281202.db2.gz HITVTOGEULCTGX-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000351571812 144281789 /nfs/dbraw/zinc/28/17/89/144281789.db2.gz AZYVWALOICOFSX-CQSZACIVSA-N 2 2 330.501 3.204 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625628 144289423 /nfs/dbraw/zinc/28/94/23/144289423.db2.gz AXUXLVOBGSRXIY-QAPCUYQASA-N 2 2 347.532 3.090 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625628 144289424 /nfs/dbraw/zinc/28/94/24/144289424.db2.gz AXUXLVOBGSRXIY-QAPCUYQASA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625628 144289427 /nfs/dbraw/zinc/28/94/27/144289427.db2.gz AXUXLVOBGSRXIY-QAPCUYQASA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625628 144289428 /nfs/dbraw/zinc/28/94/28/144289428.db2.gz AXUXLVOBGSRXIY-QAPCUYQASA-N 2 2 347.532 3.090 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351719695 144296461 /nfs/dbraw/zinc/29/64/61/144296461.db2.gz SAGPZSDWYAXIBL-DZGCQCFKSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351719695 144296462 /nfs/dbraw/zinc/29/64/62/144296462.db2.gz SAGPZSDWYAXIBL-DZGCQCFKSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351719695 144296463 /nfs/dbraw/zinc/29/64/63/144296463.db2.gz SAGPZSDWYAXIBL-DZGCQCFKSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351719695 144296464 /nfs/dbraw/zinc/29/64/64/144296464.db2.gz SAGPZSDWYAXIBL-DZGCQCFKSA-N 2 2 325.522 3.023 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847528 144315907 /nfs/dbraw/zinc/31/59/07/144315907.db2.gz AEMZAPSCIWNONL-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847528 144315909 /nfs/dbraw/zinc/31/59/09/144315909.db2.gz AEMZAPSCIWNONL-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H](COc1cccc(F)c1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341461037 155305169 /nfs/dbraw/zinc/30/51/69/155305169.db2.gz PAOIPIGHNLHAMM-MRXNPFEDSA-N 2 2 343.446 3.242 20 0 EGADLP Cc1ccc(SCC[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC000115547897 152016608 /nfs/dbraw/zinc/01/66/08/152016608.db2.gz LZDXOOYZXBQNAH-UHFFFAOYSA-N 2 2 336.545 3.174 20 0 EGADLP Cc1ccc(SCC[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC000115547897 152016618 /nfs/dbraw/zinc/01/66/18/152016618.db2.gz LZDXOOYZXBQNAH-UHFFFAOYSA-N 2 2 336.545 3.174 20 0 EGADLP COC(=O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1 ZINC000119568421 152214057 /nfs/dbraw/zinc/21/40/57/152214057.db2.gz GPCHQRQTZUVEOV-UHFFFAOYSA-N 2 2 349.862 3.300 20 0 EGADLP COC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Cl)cc1 ZINC000119568421 152214060 /nfs/dbraw/zinc/21/40/60/152214060.db2.gz GPCHQRQTZUVEOV-UHFFFAOYSA-N 2 2 349.862 3.300 20 0 EGADLP Cc1cc(C)cc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119600511 152216577 /nfs/dbraw/zinc/21/65/77/152216577.db2.gz AVSAKHRJLJDTBB-UHFFFAOYSA-N 2 2 344.422 3.482 20 0 EGADLP c1csc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000120943683 152313314 /nfs/dbraw/zinc/31/33/14/152313314.db2.gz DGRFQHYYJUKMFZ-ONIAQPFYSA-N 2 2 332.513 3.432 20 0 EGADLP CCCc1nc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cs1 ZINC000187024353 153006648 /nfs/dbraw/zinc/00/66/48/153006648.db2.gz UIXLVPTUNPKABC-RDJZCZTQSA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1nc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cs1 ZINC000187024353 153006654 /nfs/dbraw/zinc/00/66/54/153006654.db2.gz UIXLVPTUNPKABC-RDJZCZTQSA-N 2 2 339.549 3.322 20 0 EGADLP FC(F)COCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188759338 153032994 /nfs/dbraw/zinc/03/29/94/153032994.db2.gz GLDWBMDIABFARH-UHFFFAOYSA-N 2 2 332.822 3.176 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000190993509 153170498 /nfs/dbraw/zinc/17/04/98/153170498.db2.gz GFRZHPAULQGBEQ-QGZVFWFLSA-N 2 2 326.488 3.148 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCc3ccccc3Cl)CC2)c1 ZINC000303243164 154041072 /nfs/dbraw/zinc/04/10/72/154041072.db2.gz KUIHBWGVCDICDA-UHFFFAOYSA-N 2 2 331.847 3.108 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)oc21 ZINC000305799506 154130876 /nfs/dbraw/zinc/13/08/76/154130876.db2.gz WUKFWQGKVNQCRB-HNNXBMFYSA-N 2 2 346.471 3.329 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000337373530 154316550 /nfs/dbraw/zinc/31/65/50/154316550.db2.gz FFLAXDNPAJQUPT-ZOBUZTSGSA-N 2 2 332.488 3.158 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000337373530 154316553 /nfs/dbraw/zinc/31/65/53/154316553.db2.gz FFLAXDNPAJQUPT-ZOBUZTSGSA-N 2 2 332.488 3.158 20 0 EGADLP COCC[C@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000337408667 154338332 /nfs/dbraw/zinc/33/83/32/154338332.db2.gz UQZMXZZTLXPWBD-RTBURBONSA-N 2 2 327.472 3.269 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000345225384 156003258 /nfs/dbraw/zinc/00/32/58/156003258.db2.gz OGTDYFAWOPVOSX-PMACEKPBSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000345225384 156003259 /nfs/dbraw/zinc/00/32/59/156003259.db2.gz OGTDYFAWOPVOSX-PMACEKPBSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000345225384 156003261 /nfs/dbraw/zinc/00/32/61/156003261.db2.gz OGTDYFAWOPVOSX-PMACEKPBSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000345225384 156003262 /nfs/dbraw/zinc/00/32/62/156003262.db2.gz OGTDYFAWOPVOSX-PMACEKPBSA-N 2 2 343.515 3.032 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119883742 292337496 /nfs/dbraw/zinc/33/74/96/292337496.db2.gz MFATVAORXPXKEQ-ZIFCJYIRSA-N 2 2 332.488 3.298 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119883742 292337497 /nfs/dbraw/zinc/33/74/97/292337497.db2.gz MFATVAORXPXKEQ-ZIFCJYIRSA-N 2 2 332.488 3.298 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)[C@H](C[NH3+])C1 ZINC000346858717 156166422 /nfs/dbraw/zinc/16/64/22/156166422.db2.gz YJLNMSDELFPULR-UONOGXRCSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)[C@H](C[NH3+])C1 ZINC000346858717 156166425 /nfs/dbraw/zinc/16/64/25/156166425.db2.gz YJLNMSDELFPULR-UONOGXRCSA-N 2 2 334.460 3.492 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1Oc1cc[nH+]cc1 ZINC000346901194 156188802 /nfs/dbraw/zinc/18/88/02/156188802.db2.gz HWBRRUPTMBAKDZ-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1Oc1cc[nH+]cc1 ZINC000346901194 156188805 /nfs/dbraw/zinc/18/88/05/156188805.db2.gz HWBRRUPTMBAKDZ-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349127045 156361718 /nfs/dbraw/zinc/36/17/18/156361718.db2.gz HRVSWDTVTICRMP-CQSZACIVSA-N 2 2 347.846 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349127045 156361723 /nfs/dbraw/zinc/36/17/23/156361723.db2.gz HRVSWDTVTICRMP-CQSZACIVSA-N 2 2 347.846 3.224 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000344887500 296736182 /nfs/dbraw/zinc/73/61/82/296736182.db2.gz SGBFQTAUFLKLCU-ITNJMCAHSA-N 2 2 344.503 3.029 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518438 157153238 /nfs/dbraw/zinc/15/32/38/157153238.db2.gz VYBLAWMZIRVASG-KMFMINBZSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518438 157153241 /nfs/dbraw/zinc/15/32/41/157153241.db2.gz VYBLAWMZIRVASG-KMFMINBZSA-N 2 2 347.484 3.087 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365641665 157202920 /nfs/dbraw/zinc/20/29/20/157202920.db2.gz UVSAYUJFFKPNAJ-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365641665 157202922 /nfs/dbraw/zinc/20/29/22/157202922.db2.gz UVSAYUJFFKPNAJ-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)n1-c1ccccc1 ZINC000368776028 157287520 /nfs/dbraw/zinc/28/75/20/157287520.db2.gz XAKYLQKILIMWNF-WOJBJXKFSA-N 2 2 325.456 3.476 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093563605 162015827 /nfs/dbraw/zinc/01/58/27/162015827.db2.gz HBYHHDHLNWHKON-MRXNPFEDSA-N 2 2 336.549 3.440 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000093563605 162015831 /nfs/dbraw/zinc/01/58/31/162015831.db2.gz HBYHHDHLNWHKON-MRXNPFEDSA-N 2 2 336.549 3.440 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000093683872 162022616 /nfs/dbraw/zinc/02/26/16/162022616.db2.gz HVWSSCVWRIPPCD-QGZVFWFLSA-N 2 2 342.462 3.319 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000093683872 162022619 /nfs/dbraw/zinc/02/26/19/162022619.db2.gz HVWSSCVWRIPPCD-QGZVFWFLSA-N 2 2 342.462 3.319 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093693885 162022703 /nfs/dbraw/zinc/02/27/03/162022703.db2.gz JVCKNINIVSYMGY-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093693885 162022706 /nfs/dbraw/zinc/02/27/06/162022706.db2.gz JVCKNINIVSYMGY-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc2ccccc21 ZINC000113513921 162212940 /nfs/dbraw/zinc/21/29/40/162212940.db2.gz WDZQPOOJMGCNBA-KRWDZBQOSA-N 2 2 339.483 3.076 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc2ccccc21 ZINC000113513921 162212942 /nfs/dbraw/zinc/21/29/42/162212942.db2.gz WDZQPOOJMGCNBA-KRWDZBQOSA-N 2 2 339.483 3.076 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127104079 162321564 /nfs/dbraw/zinc/32/15/64/162321564.db2.gz GHUFTVVFLXOLIE-GGPKGHCWSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000127104079 162321568 /nfs/dbraw/zinc/32/15/68/162321568.db2.gz GHUFTVVFLXOLIE-GGPKGHCWSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000305103177 163073587 /nfs/dbraw/zinc/07/35/87/163073587.db2.gz BZNADYFAGYNULY-GOEBONIOSA-N 2 2 332.419 3.191 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cnc2ccsc2c1 ZINC000305170359 163076166 /nfs/dbraw/zinc/07/61/66/163076166.db2.gz ZQICKRZPHXPNLB-GOEBONIOSA-N 2 2 333.501 3.040 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210974 /nfs/dbraw/zinc/21/09/74/163210974.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210977 /nfs/dbraw/zinc/21/09/77/163210977.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210979 /nfs/dbraw/zinc/21/09/79/163210979.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327937 163210982 /nfs/dbraw/zinc/21/09/82/163210982.db2.gz PJEOKHDDNKWWDR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000354350630 166007383 /nfs/dbraw/zinc/00/73/83/166007383.db2.gz FZVSGHIGJMSYEU-JOCHJYFZSA-N 3 2 337.511 3.477 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000354350630 166007385 /nfs/dbraw/zinc/00/73/85/166007385.db2.gz FZVSGHIGJMSYEU-JOCHJYFZSA-N 3 2 337.511 3.477 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]CC2=Cc3ccccc3OC2)c[nH+]1 ZINC000338713098 163327298 /nfs/dbraw/zinc/32/72/98/163327298.db2.gz HCQULVSFKAFFFT-UHFFFAOYSA-N 2 2 331.419 3.497 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000343917672 164065999 /nfs/dbraw/zinc/06/59/99/164065999.db2.gz AXKOAYJCADFJKX-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000343917672 164066002 /nfs/dbraw/zinc/06/60/02/164066002.db2.gz AXKOAYJCADFJKX-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000344111153 164106002 /nfs/dbraw/zinc/10/60/02/164106002.db2.gz UPXCOUMJWVQHKM-ZWKOTPCHSA-N 2 2 331.504 3.093 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000344111153 164106005 /nfs/dbraw/zinc/10/60/05/164106005.db2.gz UPXCOUMJWVQHKM-ZWKOTPCHSA-N 2 2 331.504 3.093 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc4c(c3)COC4)sc2C1 ZINC000344337135 164160356 /nfs/dbraw/zinc/16/03/56/164160356.db2.gz TZNJOGXWPITNQV-UHFFFAOYSA-N 2 2 343.496 3.230 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc4c(c3)COC4)sc2C1 ZINC000344337135 164160357 /nfs/dbraw/zinc/16/03/57/164160357.db2.gz TZNJOGXWPITNQV-UHFFFAOYSA-N 2 2 343.496 3.230 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000346034102 164322388 /nfs/dbraw/zinc/32/23/88/164322388.db2.gz DSUAYDKTGGAZPP-IBGZPJMESA-N 2 2 332.451 3.462 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000346034102 164322390 /nfs/dbraw/zinc/32/23/90/164322390.db2.gz DSUAYDKTGGAZPP-IBGZPJMESA-N 2 2 332.451 3.462 20 0 EGADLP CCN(CC[NH+]1CCCCCC1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000346291654 164364282 /nfs/dbraw/zinc/36/42/82/164364282.db2.gz INBNZCHDVKFOFO-UHFFFAOYSA-N 2 2 342.487 3.069 20 0 EGADLP COCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(F)cc1Cl ZINC000346277902 164364376 /nfs/dbraw/zinc/36/43/76/164364376.db2.gz MZHNCUVPGKYANK-UHFFFAOYSA-N 2 2 325.815 3.133 20 0 EGADLP COCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(F)cc1Cl ZINC000346277902 164364377 /nfs/dbraw/zinc/36/43/77/164364377.db2.gz MZHNCUVPGKYANK-UHFFFAOYSA-N 2 2 325.815 3.133 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000346319515 164368401 /nfs/dbraw/zinc/36/84/01/164368401.db2.gz YHWLDIYUMDWZRQ-LJQANCHMSA-N 2 2 334.423 3.161 20 0 EGADLP [NH3+]CCCN(Cc1cn2cc(Cl)ccc2[nH+]1)c1cccc(F)c1 ZINC000346375478 164376981 /nfs/dbraw/zinc/37/69/81/164376981.db2.gz YPQIYQBTIFNBKE-UHFFFAOYSA-N 2 2 332.810 3.482 20 0 EGADLP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cn1 ZINC000354850627 166048106 /nfs/dbraw/zinc/04/81/06/166048106.db2.gz MLTVXLITPKGKDA-RBUKOAKNSA-N 2 2 328.460 3.049 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000346500617 164387661 /nfs/dbraw/zinc/38/76/61/164387661.db2.gz ZTXINJQOBZAICA-FQEVSTJZSA-N 2 2 345.462 3.176 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000346500617 164387663 /nfs/dbraw/zinc/38/76/63/164387663.db2.gz ZTXINJQOBZAICA-FQEVSTJZSA-N 2 2 345.462 3.176 20 0 EGADLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1O ZINC000349405391 164878229 /nfs/dbraw/zinc/87/82/29/164878229.db2.gz HWGXNLYKYYUOLY-UHFFFAOYSA-N 2 2 329.444 3.290 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748988 165068702 /nfs/dbraw/zinc/06/87/02/165068702.db2.gz RWZUKYKZFOICTI-MJGOQNOKSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748988 165068707 /nfs/dbraw/zinc/06/87/07/165068707.db2.gz RWZUKYKZFOICTI-MJGOQNOKSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748988 165068711 /nfs/dbraw/zinc/06/87/11/165068711.db2.gz RWZUKYKZFOICTI-MJGOQNOKSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748988 165068717 /nfs/dbraw/zinc/06/87/17/165068717.db2.gz RWZUKYKZFOICTI-MJGOQNOKSA-N 2 2 343.515 3.092 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352340198 165353599 /nfs/dbraw/zinc/35/35/99/165353599.db2.gz CEFRUQNJJHCVQZ-GDBMZVCRSA-N 2 2 330.394 3.033 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352340198 165353602 /nfs/dbraw/zinc/35/36/02/165353602.db2.gz CEFRUQNJJHCVQZ-GDBMZVCRSA-N 2 2 330.394 3.033 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)n21 ZINC000352347355 165356891 /nfs/dbraw/zinc/35/68/91/165356891.db2.gz WFHJKAHDJZKPIN-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCc4c(cnn4-c4ccccc4)C3)n21 ZINC000352347355 165356895 /nfs/dbraw/zinc/35/68/95/165356895.db2.gz WFHJKAHDJZKPIN-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000355209813 166134782 /nfs/dbraw/zinc/13/47/82/166134782.db2.gz KJMUCUOMEHONNR-FHLIZLRMSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000355209813 166134784 /nfs/dbraw/zinc/13/47/84/166134784.db2.gz KJMUCUOMEHONNR-FHLIZLRMSA-N 2 2 338.879 3.032 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355412173 166189420 /nfs/dbraw/zinc/18/94/20/166189420.db2.gz AIJNLDGEBQAWTM-UHFFFAOYSA-N 2 2 333.395 3.194 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000355599276 166257141 /nfs/dbraw/zinc/25/71/41/166257141.db2.gz NJXVDBGJZIRVKB-GFCCVEGCSA-N 2 2 328.441 3.408 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000355599276 166257143 /nfs/dbraw/zinc/25/71/43/166257143.db2.gz NJXVDBGJZIRVKB-GFCCVEGCSA-N 2 2 328.441 3.408 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1)CC(C)C ZINC000356014097 166374961 /nfs/dbraw/zinc/37/49/61/166374961.db2.gz PYYSSAUKKJPPII-KRWDZBQOSA-N 2 2 344.503 3.368 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358992949 167030490 /nfs/dbraw/zinc/03/04/90/167030490.db2.gz WTPORUWNOHTRMG-KXBFYZLASA-N 2 2 325.456 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358992949 167030491 /nfs/dbraw/zinc/03/04/91/167030491.db2.gz WTPORUWNOHTRMG-KXBFYZLASA-N 2 2 325.456 3.330 20 0 EGADLP CN(Cc1cccc(Cl)c1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365029222 168013196 /nfs/dbraw/zinc/01/31/96/168013196.db2.gz QCXOGXHFPWRBKK-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1cccc(Cl)c1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365029222 168013198 /nfs/dbraw/zinc/01/31/98/168013198.db2.gz QCXOGXHFPWRBKK-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1cccc(Cl)c1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365029222 168013200 /nfs/dbraw/zinc/01/32/00/168013200.db2.gz QCXOGXHFPWRBKK-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1cccc(Cl)c1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365029222 168013203 /nfs/dbraw/zinc/01/32/03/168013203.db2.gz QCXOGXHFPWRBKK-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000365102992 168021286 /nfs/dbraw/zinc/02/12/86/168021286.db2.gz YKRJWGOSJWLPGB-UHFFFAOYSA-N 2 2 337.467 3.217 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC000366096003 168082562 /nfs/dbraw/zinc/08/25/62/168082562.db2.gz RJWGQULTGVXLIR-INIZCTEOSA-N 2 2 336.549 3.130 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC000366096003 168082565 /nfs/dbraw/zinc/08/25/65/168082565.db2.gz RJWGQULTGVXLIR-INIZCTEOSA-N 2 2 336.549 3.130 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218719 168095359 /nfs/dbraw/zinc/09/53/59/168095359.db2.gz MJDYMRKYCBVIEL-PVAVHDDUSA-N 2 2 340.414 3.192 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH+]ccn4C)C3)s2)cn1 ZINC000367348356 168212048 /nfs/dbraw/zinc/21/20/48/168212048.db2.gz HXLUZHOMVPESBK-AWEZNQCLSA-N 2 2 341.484 3.262 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](c4[nH+]ccn4C)C3)s2)cn1 ZINC000367348356 168212050 /nfs/dbraw/zinc/21/20/50/168212050.db2.gz HXLUZHOMVPESBK-AWEZNQCLSA-N 2 2 341.484 3.262 20 0 EGADLP Clc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401502 168220718 /nfs/dbraw/zinc/22/07/18/168220718.db2.gz ZPBVFLQQQQLOAU-MSOLQXFVSA-N 2 2 344.890 3.301 20 0 EGADLP Clc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401502 168220719 /nfs/dbraw/zinc/22/07/19/168220719.db2.gz ZPBVFLQQQQLOAU-MSOLQXFVSA-N 2 2 344.890 3.301 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000367699268 168259738 /nfs/dbraw/zinc/25/97/38/168259738.db2.gz HFRGSDOIONWNIM-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000367699268 168259740 /nfs/dbraw/zinc/25/97/40/168259740.db2.gz HFRGSDOIONWNIM-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000367699267 168260033 /nfs/dbraw/zinc/26/00/33/168260033.db2.gz HFRGSDOIONWNIM-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000367699267 168260036 /nfs/dbraw/zinc/26/00/36/168260036.db2.gz HFRGSDOIONWNIM-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000367701075 168260860 /nfs/dbraw/zinc/26/08/60/168260860.db2.gz KCKKVTJWZKBMHE-LBPRGKRZSA-N 2 2 325.334 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000367701075 168260862 /nfs/dbraw/zinc/26/08/62/168260862.db2.gz KCKKVTJWZKBMHE-LBPRGKRZSA-N 2 2 325.334 3.150 20 0 EGADLP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000236700984 266212373 /nfs/dbraw/zinc/21/23/73/266212373.db2.gz IKVAZTYBPLBQAI-IBGZPJMESA-N 2 2 343.515 3.071 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269646447 266333402 /nfs/dbraw/zinc/33/34/02/266333402.db2.gz PJFCCWYFSKSVRJ-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269646447 266333407 /nfs/dbraw/zinc/33/34/07/266333407.db2.gz PJFCCWYFSKSVRJ-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccco3)[nH+]c12 ZINC000273485676 267047832 /nfs/dbraw/zinc/04/78/32/267047832.db2.gz MHFKQYICPFDFFX-UHFFFAOYSA-N 2 2 334.217 3.331 20 0 EGADLP Cc1noc(CCC[NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000274838276 267294778 /nfs/dbraw/zinc/29/47/78/267294778.db2.gz LMGIKFJONWRBCP-SFHVURJKSA-N 2 2 330.476 3.057 20 0 EGADLP Cc1noc(CCC[NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000274838276 267294781 /nfs/dbraw/zinc/29/47/81/267294781.db2.gz LMGIKFJONWRBCP-SFHVURJKSA-N 2 2 330.476 3.057 20 0 EGADLP C[C@@H](c1cccnc1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565934 268040471 /nfs/dbraw/zinc/04/04/71/268040471.db2.gz IUZJCBBIBVSION-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1cccnc1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565934 268040473 /nfs/dbraw/zinc/04/04/73/268040473.db2.gz IUZJCBBIBVSION-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1cccnc1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278565934 268040478 /nfs/dbraw/zinc/04/04/78/268040478.db2.gz IUZJCBBIBVSION-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1cccnc1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278565934 268040482 /nfs/dbraw/zinc/04/04/82/268040482.db2.gz IUZJCBBIBVSION-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000359468783 274316238 /nfs/dbraw/zinc/31/62/38/274316238.db2.gz WLRULJIYNJPHJE-UXLLHSPISA-N 2 2 329.492 3.140 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000359468783 274316240 /nfs/dbraw/zinc/31/62/40/274316240.db2.gz WLRULJIYNJPHJE-UXLLHSPISA-N 2 2 329.492 3.140 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+]1CCCC1 ZINC000340585127 275052496 /nfs/dbraw/zinc/05/24/96/275052496.db2.gz WDSYKJSJAJBWFW-ZFWWWQNUSA-N 2 2 329.271 3.027 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000189025870 275219281 /nfs/dbraw/zinc/21/92/81/275219281.db2.gz FGXOFWJDVNSQJV-YUXAGFNASA-N 2 2 338.495 3.324 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000189025870 275219283 /nfs/dbraw/zinc/21/92/83/275219283.db2.gz FGXOFWJDVNSQJV-YUXAGFNASA-N 2 2 338.495 3.324 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000266113921 275234945 /nfs/dbraw/zinc/23/49/45/275234945.db2.gz NJIQMIQPQZRFNK-HUUCEWRRSA-N 2 2 343.471 3.072 20 0 EGADLP Cn1cc([C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891181 275248318 /nfs/dbraw/zinc/24/83/18/275248318.db2.gz PVYCUHVLOSFGAT-MOPGFXCFSA-N 2 2 330.451 3.113 20 0 EGADLP Cn1cc([C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891181 275248319 /nfs/dbraw/zinc/24/83/19/275248319.db2.gz PVYCUHVLOSFGAT-MOPGFXCFSA-N 2 2 330.451 3.113 20 0 EGADLP Cc1nc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000278755416 275272021 /nfs/dbraw/zinc/27/20/21/275272021.db2.gz XKJBWSIATAAWCV-HNNXBMFYSA-N 2 2 328.460 3.283 20 0 EGADLP Cc1nc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000278755416 275272023 /nfs/dbraw/zinc/27/20/23/275272023.db2.gz XKJBWSIATAAWCV-HNNXBMFYSA-N 2 2 328.460 3.283 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000278792641 275275302 /nfs/dbraw/zinc/27/53/02/275275302.db2.gz WUXKUQZDIGRLTL-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000278792641 275275304 /nfs/dbraw/zinc/27/53/04/275275304.db2.gz WUXKUQZDIGRLTL-UHFFFAOYSA-N 3 2 349.438 3.014 20 0 EGADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278856272 275281542 /nfs/dbraw/zinc/28/15/42/275281542.db2.gz KTXUBKJYYYCMOY-CYBMUJFWSA-N 2 2 341.459 3.420 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(NC(=O)N(C)C)cc3)n2c1 ZINC000279828727 275363783 /nfs/dbraw/zinc/36/37/83/275363783.db2.gz DUQTZWWDULBEPC-UHFFFAOYSA-N 2 2 337.427 3.026 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H]1C ZINC000280022833 275392913 /nfs/dbraw/zinc/39/29/13/275392913.db2.gz UBZMTBRFBHDZNV-HYVNUMGLSA-N 2 2 343.471 3.302 20 0 EGADLP CCCOC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280332271 275438716 /nfs/dbraw/zinc/43/87/16/275438716.db2.gz ZUXYTIYMIHSUIZ-AWEZNQCLSA-N 2 2 329.444 3.323 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000285449046 275876975 /nfs/dbraw/zinc/87/69/75/275876975.db2.gz MCYBHATXXAMOEG-UHFFFAOYSA-N 2 2 340.467 3.458 20 0 EGADLP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CS1 ZINC000366772604 276033420 /nfs/dbraw/zinc/03/34/20/276033420.db2.gz KVWAJZSYDAUUQN-DLBZAZTESA-N 2 2 326.550 3.141 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(-n2ccnn2)c1 ZINC000287753809 276154234 /nfs/dbraw/zinc/15/42/34/276154234.db2.gz QLILSNGEJIDGHP-INIZCTEOSA-N 2 2 336.443 3.205 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(F)cn1 ZINC000287809734 276159540 /nfs/dbraw/zinc/15/95/40/276159540.db2.gz UQLHLURVGWDVFF-LBPRGKRZSA-N 2 2 328.391 3.389 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000287899937 276167848 /nfs/dbraw/zinc/16/78/48/276167848.db2.gz USDNYNKVHIUWHO-UHFFFAOYSA-N 2 2 330.476 3.378 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000287899937 276167849 /nfs/dbraw/zinc/16/78/49/276167849.db2.gz USDNYNKVHIUWHO-UHFFFAOYSA-N 2 2 330.476 3.378 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000289227836 276307458 /nfs/dbraw/zinc/30/74/58/276307458.db2.gz JWLPYQLQUULVNM-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000289316416 276320870 /nfs/dbraw/zinc/32/08/70/276320870.db2.gz SQBOMXQTLZQFOY-FQEVSTJZSA-N 2 2 337.467 3.276 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000289350842 276326281 /nfs/dbraw/zinc/32/62/81/276326281.db2.gz XJYFVEPEZPZGKD-NHCUHLMSSA-N 2 2 340.467 3.147 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000289350842 276326282 /nfs/dbraw/zinc/32/62/82/276326282.db2.gz XJYFVEPEZPZGKD-NHCUHLMSSA-N 2 2 340.467 3.147 20 0 EGADLP COc1cccc(N2CC[C@H]([NH2+]CCCc3c[nH+]ccc3C)C2)c1 ZINC000289353033 276326401 /nfs/dbraw/zinc/32/64/01/276326401.db2.gz XSIKCAIVGAQZDV-SFHVURJKSA-N 2 2 325.456 3.200 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289358867 276327317 /nfs/dbraw/zinc/32/73/17/276327317.db2.gz YKVJVANQNCHZMF-UHFFFAOYSA-N 2 2 330.428 3.138 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1O ZINC000289594547 276363521 /nfs/dbraw/zinc/36/35/21/276363521.db2.gz FPMCEKNVAURCJS-MRXNPFEDSA-N 2 2 340.467 3.500 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1O ZINC000289594547 276363522 /nfs/dbraw/zinc/36/35/22/276363522.db2.gz FPMCEKNVAURCJS-MRXNPFEDSA-N 2 2 340.467 3.500 20 0 EGADLP C[C@@H](O)c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000289610442 276365929 /nfs/dbraw/zinc/36/59/29/276365929.db2.gz JJVYIUDGXSKTDC-CYBMUJFWSA-N 2 2 346.500 3.109 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc21 ZINC000289655943 276373197 /nfs/dbraw/zinc/37/31/97/276373197.db2.gz ILOLCRRDPGXOHS-BRWVUGGUSA-N 2 2 327.472 3.385 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C3CCCC3)cc2)CC1 ZINC000290313918 276478734 /nfs/dbraw/zinc/47/87/34/276478734.db2.gz HJYBKHMKZDSHOW-UHFFFAOYSA-N 2 2 343.515 3.100 20 0 EGADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccn2cc[nH+]c2c1 ZINC000290853038 276551112 /nfs/dbraw/zinc/55/11/12/276551112.db2.gz ZPJDZVQHJSTNSM-UHFFFAOYSA-N 2 2 349.438 3.252 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4cc(F)ccc43)[nH+]c2)C1 ZINC000346951519 276874394 /nfs/dbraw/zinc/87/43/94/276874394.db2.gz COMRHVNQXVKXMQ-HKUYNNGSSA-N 2 2 340.446 3.460 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261641577 277647701 /nfs/dbraw/zinc/64/77/01/277647701.db2.gz IRVMTPUKCYTLIY-JSGCOSHPSA-N 2 2 328.287 3.034 20 0 EGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncccc2N(C)C)CC1 ZINC000353609154 279655006 /nfs/dbraw/zinc/65/50/06/279655006.db2.gz AROODBQDXGMDRN-LPHOPBHVSA-N 2 2 330.520 3.280 20 0 EGADLP C[NH+](C)CCN(Cc1[nH+]ccn1CC(F)(F)F)CC1CCCCC1 ZINC000349063139 289152011 /nfs/dbraw/zinc/15/20/11/289152011.db2.gz PJMWRVPMXRIBCX-UHFFFAOYSA-N 2 2 346.441 3.389 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000343438766 292726109 /nfs/dbraw/zinc/72/61/09/292726109.db2.gz FXVTXAKDTPDOPD-OTWHNJEPSA-N 2 2 331.504 3.117 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000310592814 290252412 /nfs/dbraw/zinc/25/24/12/290252412.db2.gz OUOMWXOPJNUHDI-GOSISDBHSA-N 2 2 339.483 3.057 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000310592814 290252419 /nfs/dbraw/zinc/25/24/19/290252419.db2.gz OUOMWXOPJNUHDI-GOSISDBHSA-N 2 2 339.483 3.057 20 0 EGADLP COc1ccc2ccccc2c1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000076897801 295279181 /nfs/dbraw/zinc/27/91/81/295279181.db2.gz DPHGTVSTUWNKQF-MRXNPFEDSA-N 2 2 328.456 3.049 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342757765 297410314 /nfs/dbraw/zinc/41/03/14/297410314.db2.gz MMCXBERNPRHDRC-FHLIZLRMSA-N 2 2 349.906 3.028 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358254456 301158284 /nfs/dbraw/zinc/15/82/84/301158284.db2.gz PQLNSKFCPWVFNU-WIYYLYMNSA-N 2 2 346.515 3.162 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358254456 301158286 /nfs/dbraw/zinc/15/82/86/301158286.db2.gz PQLNSKFCPWVFNU-WIYYLYMNSA-N 2 2 346.515 3.162 20 0 EGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000122002345 307525690 /nfs/dbraw/zinc/52/56/90/307525690.db2.gz XZMLOOHNEDICLH-SFHVURJKSA-N 2 2 346.515 3.196 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000122002570 307525811 /nfs/dbraw/zinc/52/58/11/307525811.db2.gz XZMLOOHNEDICLH-GOSISDBHSA-N 2 2 346.515 3.196 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000414267952 309069633 /nfs/dbraw/zinc/06/96/33/309069633.db2.gz NQJCZTNTPMZPIB-FBBABVLZSA-N 2 2 339.483 3.269 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000414267952 309069634 /nfs/dbraw/zinc/06/96/34/309069634.db2.gz NQJCZTNTPMZPIB-FBBABVLZSA-N 2 2 339.483 3.269 20 0 EGADLP CSc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000158908898 307865443 /nfs/dbraw/zinc/86/54/43/307865443.db2.gz KWQRGRLCGZGYFQ-HOCLYGCPSA-N 2 2 340.508 3.291 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414319810 309072758 /nfs/dbraw/zinc/07/27/58/309072758.db2.gz AOFLPKUYYBQDBV-CQSZACIVSA-N 2 2 348.516 3.013 20 0 EGADLP COCCSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414336361 309073635 /nfs/dbraw/zinc/07/36/35/309073635.db2.gz YZSNFMBOTWACCI-CQSZACIVSA-N 2 2 348.516 3.075 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)n1C ZINC000414342843 309074072 /nfs/dbraw/zinc/07/40/72/309074072.db2.gz AEJCGJVWKPMWPY-KRWDZBQOSA-N 2 2 348.466 3.209 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(OC(F)(F)F)c1 ZINC000414365795 309075544 /nfs/dbraw/zinc/07/55/44/309075544.db2.gz PNFASDILZVWMNO-NSHDSACASA-N 2 2 342.365 3.236 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)nn1 ZINC000414391550 309077280 /nfs/dbraw/zinc/07/72/80/309077280.db2.gz LCMZBPXMFZQMKC-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)nn1 ZINC000414391550 309077281 /nfs/dbraw/zinc/07/72/81/309077281.db2.gz LCMZBPXMFZQMKC-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249171017 308020777 /nfs/dbraw/zinc/02/07/77/308020777.db2.gz BLYMLGQPMFYQLY-MAUKXSAKSA-N 2 2 330.451 3.492 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249171017 308020779 /nfs/dbraw/zinc/02/07/79/308020779.db2.gz BLYMLGQPMFYQLY-MAUKXSAKSA-N 2 2 330.451 3.492 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000414447163 309080589 /nfs/dbraw/zinc/08/05/89/309080589.db2.gz WKSMLUUOYDOPHA-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000414447163 309080590 /nfs/dbraw/zinc/08/05/90/309080590.db2.gz WKSMLUUOYDOPHA-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000414447163 309080591 /nfs/dbraw/zinc/08/05/91/309080591.db2.gz WKSMLUUOYDOPHA-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000414447163 309080592 /nfs/dbraw/zinc/08/05/92/309080592.db2.gz WKSMLUUOYDOPHA-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989782 308087466 /nfs/dbraw/zinc/08/74/66/308087466.db2.gz NXRFSNCMYZAMAN-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989782 308087468 /nfs/dbraw/zinc/08/74/68/308087468.db2.gz NXRFSNCMYZAMAN-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292989782 308087471 /nfs/dbraw/zinc/08/74/71/308087471.db2.gz NXRFSNCMYZAMAN-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292989782 308087472 /nfs/dbraw/zinc/08/74/72/308087472.db2.gz NXRFSNCMYZAMAN-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)N(C)c1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)c[nH+]1 ZINC000414491447 309084109 /nfs/dbraw/zinc/08/41/09/309084109.db2.gz QCWGZTAYFFKSIM-UHFFFAOYSA-N 2 2 349.482 3.440 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293743513 308157740 /nfs/dbraw/zinc/15/77/40/308157740.db2.gz WCNRNVACMJKLDG-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293743513 308157742 /nfs/dbraw/zinc/15/77/42/308157742.db2.gz WCNRNVACMJKLDG-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293743513 308157743 /nfs/dbraw/zinc/15/77/43/308157743.db2.gz WCNRNVACMJKLDG-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293743513 308157745 /nfs/dbraw/zinc/15/77/45/308157745.db2.gz WCNRNVACMJKLDG-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CCc1ccc([C@H](CNC(=O)CCc2c[nH+]c[nH]2)[NH+](CC)CC)cc1 ZINC000294408577 308218627 /nfs/dbraw/zinc/21/86/27/308218627.db2.gz FGGGALQJYDQJMT-IBGZPJMESA-N 2 2 342.487 3.104 20 0 EGADLP CCc1ccc([C@H](CNC(=O)CCc2c[nH]c[nH+]2)[NH+](CC)CC)cc1 ZINC000294408577 308218629 /nfs/dbraw/zinc/21/86/29/308218629.db2.gz FGGGALQJYDQJMT-IBGZPJMESA-N 2 2 342.487 3.104 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCOC4(CCC4)C3)[nH+]c2)CC1 ZINC000295675384 308349738 /nfs/dbraw/zinc/34/97/38/308349738.db2.gz KLYJMBSHGVMQHP-INIZCTEOSA-N 2 2 344.503 3.126 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695452 309095882 /nfs/dbraw/zinc/09/58/82/309095882.db2.gz GMCAOLDBMWQMOX-HKUYNNGSSA-N 3 2 330.520 3.008 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695452 309095883 /nfs/dbraw/zinc/09/58/83/309095883.db2.gz GMCAOLDBMWQMOX-HKUYNNGSSA-N 3 2 330.520 3.008 20 0 EGADLP Fc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(F)cn1 ZINC000296575969 308442958 /nfs/dbraw/zinc/44/29/58/308442958.db2.gz WLZAYDMVJJUQTD-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP COCc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)no1 ZINC000297745273 308560699 /nfs/dbraw/zinc/56/06/99/308560699.db2.gz TZOUHADCFUXJRG-HZPDHXFCSA-N 2 2 343.471 3.067 20 0 EGADLP C[C@@H](SCCc1c[nH+]cn1C)[C@H](C)SCCc1c[nH+]cn1C ZINC000298369968 308608110 /nfs/dbraw/zinc/60/81/10/308608110.db2.gz UOIMCEZPOHGEQG-OKILXGFUSA-N 2 2 338.546 3.182 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414801268 309102421 /nfs/dbraw/zinc/10/24/21/309102421.db2.gz TXJWBKBFSCBEFO-INIZCTEOSA-N 2 2 340.393 3.023 20 0 EGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000414820015 309103700 /nfs/dbraw/zinc/10/37/00/309103700.db2.gz BJHHQAUSASXKQI-UHFFFAOYSA-N 2 2 325.275 3.487 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000414818478 309103573 /nfs/dbraw/zinc/10/35/73/309103573.db2.gz VVQPLGDZBDEILR-GFCCVEGCSA-N 2 2 345.281 3.073 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cccc(O)c1Br)C1CCCCC1 ZINC000414831588 309104516 /nfs/dbraw/zinc/10/45/16/309104516.db2.gz CPYWAXSVCSTMIK-ZDUSSCGKSA-N 2 2 327.266 3.152 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000414840106 309104797 /nfs/dbraw/zinc/10/47/97/309104797.db2.gz GLQRKJXJBLFFPR-CQSZACIVSA-N 2 2 326.366 3.342 20 0 EGADLP Cc1ccc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000302875257 308748970 /nfs/dbraw/zinc/74/89/70/308748970.db2.gz DYIRJHCYGQKRTL-QGZVFWFLSA-N 2 2 325.460 3.100 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329761754 308787655 /nfs/dbraw/zinc/78/76/55/308787655.db2.gz RWCRCCSLWBYQJS-NSHDSACASA-N 2 2 329.429 3.462 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000332073322 308825449 /nfs/dbraw/zinc/82/54/49/308825449.db2.gz WWHBBIHXYANJOK-HRCADAONSA-N 2 2 345.491 3.031 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000354474556 308887369 /nfs/dbraw/zinc/88/73/69/308887369.db2.gz KGKYOQUZZDZGAF-MDCZIUGASA-N 2 2 333.476 3.171 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414864814 309106301 /nfs/dbraw/zinc/10/63/01/309106301.db2.gz KEFWSVISHDWYMI-GOSISDBHSA-N 2 2 326.488 3.071 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]CCCc2ccc(C)nc2)cc1 ZINC000414881101 309107025 /nfs/dbraw/zinc/10/70/25/309107025.db2.gz KREYOSKPVDHEKJ-LEWJYISDSA-N 2 2 339.483 3.067 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000414881101 309107026 /nfs/dbraw/zinc/10/70/26/309107026.db2.gz KREYOSKPVDHEKJ-LEWJYISDSA-N 3 2 339.483 3.067 20 0 EGADLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]CC1 ZINC000414896000 309107890 /nfs/dbraw/zinc/10/78/90/309107890.db2.gz AKHNHXCIZSAFKY-UHFFFAOYSA-N 3 2 335.923 3.284 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCC[NH2+][C@H]3C)cc2)cs1 ZINC000414936561 309110090 /nfs/dbraw/zinc/11/00/90/309110090.db2.gz CZJZFPPJTFJRDF-SCLBCKFNSA-N 2 2 331.485 3.261 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000414957814 309111492 /nfs/dbraw/zinc/11/14/92/309111492.db2.gz OTNXTOYKHILYND-QFBILLFUSA-N 2 2 348.441 3.053 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000415069640 309118053 /nfs/dbraw/zinc/11/80/53/309118053.db2.gz SVERJKAUWAAZAU-NRFANRHFSA-N 2 2 334.467 3.283 20 0 EGADLP CC(C)([NH3+])CNC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415085596 309119334 /nfs/dbraw/zinc/11/93/34/309119334.db2.gz QWKFHMKNDBAFLY-UHFFFAOYSA-N 2 2 330.303 3.285 20 0 EGADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)n2)cc1 ZINC000415107914 309120829 /nfs/dbraw/zinc/12/08/29/309120829.db2.gz ODXNGIFVEBFHTB-IRXDYDNUSA-N 2 2 342.487 3.281 20 0 EGADLP [NH3+][C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1ccccc1F ZINC000415126418 309122133 /nfs/dbraw/zinc/12/21/33/309122133.db2.gz QTSOAGKPIZCHEL-PKOBYXMFSA-N 2 2 336.414 3.143 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1ccccc1F ZINC000415126418 309122134 /nfs/dbraw/zinc/12/21/34/309122134.db2.gz QTSOAGKPIZCHEL-PKOBYXMFSA-N 2 2 336.414 3.143 20 0 EGADLP [NH3+]CC[C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415188269 309125585 /nfs/dbraw/zinc/12/55/85/309125585.db2.gz QPUYDWZEQHYEKU-OAHLLOKOSA-N 2 2 340.427 3.467 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415191003 309125631 /nfs/dbraw/zinc/12/56/31/309125631.db2.gz VHGPDJLZAGHVAN-ZIAGYGMSSA-N 2 2 326.400 3.075 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000415298012 309130290 /nfs/dbraw/zinc/13/02/90/309130290.db2.gz WCVBJEACRUCWFT-OAHLLOKOSA-N 2 2 341.459 3.163 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000415298009 309130325 /nfs/dbraw/zinc/13/03/25/309130325.db2.gz WCVBJEACRUCWFT-HNNXBMFYSA-N 2 2 341.459 3.163 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)CCC[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415462458 309134272 /nfs/dbraw/zinc/13/42/72/309134272.db2.gz OYDYRVOETKUEQA-HNNXBMFYSA-N 2 2 347.507 3.408 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417358210 309202887 /nfs/dbraw/zinc/20/28/87/309202887.db2.gz SWSUXWLBKORRMC-LJQANCHMSA-N 2 2 325.456 3.058 20 0 EGADLP OC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000417362891 309203023 /nfs/dbraw/zinc/20/30/23/309203023.db2.gz KDDFVEQOHXCDOE-MRXNPFEDSA-N 2 2 336.442 3.324 20 0 EGADLP CCn1c[nH+]cc1CNC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000417860415 309225449 /nfs/dbraw/zinc/22/54/49/309225449.db2.gz VATSTGLSPWJFGH-IBGZPJMESA-N 2 2 330.476 3.084 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCN(Cc2c[nH+]cn2CC)[C@H](C)C1 ZINC000418131426 309236789 /nfs/dbraw/zinc/23/67/89/309236789.db2.gz DCUBECPYAVMGJA-QGZVFWFLSA-N 2 2 342.487 3.008 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCN(Cc2c[nH+]cn2CC)[C@H](C)C1 ZINC000418131426 309236790 /nfs/dbraw/zinc/23/67/90/309236790.db2.gz DCUBECPYAVMGJA-QGZVFWFLSA-N 2 2 342.487 3.008 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419298109 309263548 /nfs/dbraw/zinc/26/35/48/309263548.db2.gz VJMHCVJTNHGPLW-AWEZNQCLSA-N 2 2 347.528 3.342 20 0 EGADLP COC(=O)c1cccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)c1 ZINC000420286860 309279522 /nfs/dbraw/zinc/27/95/22/309279522.db2.gz GVJDQQYKBCHWAG-UHFFFAOYSA-N 2 2 347.484 3.013 20 0 EGADLP COC(=O)c1cccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)c1 ZINC000420286860 309279523 /nfs/dbraw/zinc/27/95/23/309279523.db2.gz GVJDQQYKBCHWAG-UHFFFAOYSA-N 2 2 347.484 3.013 20 0 EGADLP C[N@H+](CC(C)(C)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420293270 309279710 /nfs/dbraw/zinc/27/97/10/309279710.db2.gz QRFQWQCRRNSZRG-CQSZACIVSA-N 2 2 344.286 3.015 20 0 EGADLP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420293270 309279711 /nfs/dbraw/zinc/27/97/11/309279711.db2.gz QRFQWQCRRNSZRG-CQSZACIVSA-N 2 2 344.286 3.015 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](C)[NH3+])c2ccccc2)cc1Br ZINC000420298822 309280072 /nfs/dbraw/zinc/28/00/72/309280072.db2.gz HXAYMVAKQMTFRY-YVEFUNNKSA-N 2 2 349.272 3.484 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000420376272 309285153 /nfs/dbraw/zinc/28/51/53/309285153.db2.gz UXNNJAPSLJHVKQ-OXJKWZBOSA-N 2 2 343.393 3.009 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420382217 309285611 /nfs/dbraw/zinc/28/56/11/309285611.db2.gz ZNIMGGUTHINYMZ-XFQAVAEZSA-N 2 2 337.467 3.268 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420394022 309286111 /nfs/dbraw/zinc/28/61/11/309286111.db2.gz CIWIOALABMQNKV-OSAQELSMSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420394022 309286112 /nfs/dbraw/zinc/28/61/12/309286112.db2.gz CIWIOALABMQNKV-OSAQELSMSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000420409993 309286821 /nfs/dbraw/zinc/28/68/21/309286821.db2.gz XVDGCTQBRWOOBC-NWDGAFQWSA-N 2 2 333.423 3.434 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000420409993 309286822 /nfs/dbraw/zinc/28/68/22/309286822.db2.gz XVDGCTQBRWOOBC-NWDGAFQWSA-N 2 2 333.423 3.434 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1cccc(OC(F)(F)F)c1 ZINC000420420734 309287044 /nfs/dbraw/zinc/28/70/44/309287044.db2.gz YKEQKKCRIKEPLU-SECBINFHSA-N 2 2 344.337 3.013 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420853378 309298170 /nfs/dbraw/zinc/29/81/70/309298170.db2.gz UHDCIBFUZLJJTI-UHFFFAOYSA-N 2 2 340.471 3.150 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420853378 309298171 /nfs/dbraw/zinc/29/81/71/309298171.db2.gz UHDCIBFUZLJJTI-UHFFFAOYSA-N 2 2 340.471 3.150 20 0 EGADLP Fc1cc(C[NH2+][C@H]2CCc3cccnc3CC2)ccc1-n1cc[nH+]c1 ZINC000421826079 309341889 /nfs/dbraw/zinc/34/18/89/309341889.db2.gz QXIVVLDXAXTEGB-KRWDZBQOSA-N 2 2 336.414 3.444 20 0 EGADLP CC[C@@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422027093 309351800 /nfs/dbraw/zinc/35/18/00/309351800.db2.gz VQYRUJMWYRJLAH-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422027093 309351801 /nfs/dbraw/zinc/35/18/01/309351801.db2.gz VQYRUJMWYRJLAH-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422196877 309357660 /nfs/dbraw/zinc/35/76/60/309357660.db2.gz AQWQVLYWYLXGFA-UHFFFAOYSA-N 2 2 346.519 3.352 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422196877 309357661 /nfs/dbraw/zinc/35/76/61/309357661.db2.gz AQWQVLYWYLXGFA-UHFFFAOYSA-N 2 2 346.519 3.352 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422736080 309365812 /nfs/dbraw/zinc/36/58/12/309365812.db2.gz XCZZNHJONZQYGR-IIBYNOLFSA-N 3 2 338.499 3.336 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1c(F)cccc1F ZINC000422748076 309366423 /nfs/dbraw/zinc/36/64/23/309366423.db2.gz RVCCHNNNMRRQPV-FGTMMUONSA-N 2 2 331.410 3.302 20 0 EGADLP Cc1ccc(N2CCC([NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)[nH+]c1 ZINC000422778753 309367867 /nfs/dbraw/zinc/36/78/67/309367867.db2.gz HTKXVROSEBGUTR-IEBWSBKVSA-N 3 2 330.520 3.259 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422806422 309369381 /nfs/dbraw/zinc/36/93/81/309369381.db2.gz KPRIEHBBDBYNGY-DYEKYZERSA-N 2 2 332.366 3.003 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422834242 309370936 /nfs/dbraw/zinc/37/09/36/309370936.db2.gz NNUMDUTZBMYELO-RTBURBONSA-N 2 2 326.488 3.266 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@H]1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000422834242 309370937 /nfs/dbraw/zinc/37/09/37/309370937.db2.gz NNUMDUTZBMYELO-RTBURBONSA-N 2 2 326.488 3.266 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422839265 309371424 /nfs/dbraw/zinc/37/14/24/309371424.db2.gz ZODVLLIOGPQYGX-YLJYHZDGSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422839265 309371425 /nfs/dbraw/zinc/37/14/25/309371425.db2.gz ZODVLLIOGPQYGX-YLJYHZDGSA-N 3 2 338.499 3.164 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422848387 309371926 /nfs/dbraw/zinc/37/19/26/309371926.db2.gz JWTWQLFLDRTCND-SJLPKXTDSA-N 2 2 332.488 3.255 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422905491 309375652 /nfs/dbraw/zinc/37/56/52/309375652.db2.gz ZDVDVOKBOMFOSV-BHIFYINESA-N 3 2 341.543 3.470 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942838 309377353 /nfs/dbraw/zinc/37/73/53/309377353.db2.gz QGNMRBOCGCNYQG-UIFIKXQLSA-N 3 2 329.532 3.047 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942838 309377354 /nfs/dbraw/zinc/37/73/54/309377354.db2.gz QGNMRBOCGCNYQG-UIFIKXQLSA-N 3 2 329.532 3.047 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422949686 309377730 /nfs/dbraw/zinc/37/77/30/309377730.db2.gz VVPVMHXXTXFAKM-ZIAGYGMSSA-N 2 2 327.266 3.207 20 0 EGADLP CCCCCn1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)n1 ZINC000423024842 309381617 /nfs/dbraw/zinc/38/16/17/309381617.db2.gz MUWYKAAZMKKMRJ-JXFKEZNVSA-N 2 2 328.504 3.430 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065465 309384055 /nfs/dbraw/zinc/38/40/55/309384055.db2.gz UMYHPLUMRLUANL-CIAFKFPVSA-N 3 2 341.543 3.407 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065465 309384056 /nfs/dbraw/zinc/38/40/56/309384056.db2.gz UMYHPLUMRLUANL-CIAFKFPVSA-N 3 2 341.543 3.407 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000423083071 309385023 /nfs/dbraw/zinc/38/50/23/309385023.db2.gz GDJWXWSLTVYSSP-OASPWFOLSA-N 2 2 327.291 3.326 20 0 EGADLP Fc1ccc(C2CC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423095354 309385678 /nfs/dbraw/zinc/38/56/78/309385678.db2.gz DZYBVAIJTWZGLW-PCHAPFSGSA-N 2 2 338.854 3.082 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423107297 309386236 /nfs/dbraw/zinc/38/62/36/309386236.db2.gz KNXUSCUJHFNQMC-YMTOWFKASA-N 2 2 333.220 3.205 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000423253210 309392273 /nfs/dbraw/zinc/39/22/73/309392273.db2.gz YQBJUKJBJAXUMC-OALUTQOASA-N 2 2 335.455 3.307 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423311673 309394845 /nfs/dbraw/zinc/39/48/45/309394845.db2.gz CGJLPMDBTJFANQ-CYBMUJFWSA-N 2 2 338.398 3.328 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423344795 309396457 /nfs/dbraw/zinc/39/64/57/309396457.db2.gz YCCLKVBSDONAFX-FZKQIMNGSA-N 2 2 347.894 3.269 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000423351456 309396558 /nfs/dbraw/zinc/39/65/58/309396558.db2.gz ICYOTPOWBBBIOK-PBHICJAKSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccc(CO)c1 ZINC000423357424 309396765 /nfs/dbraw/zinc/39/67/65/309396765.db2.gz AKQVLZXIBAQUPL-QKMWGZLOSA-N 2 2 346.421 3.253 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000423372756 309397519 /nfs/dbraw/zinc/39/75/19/309397519.db2.gz IRXMPFATDHTUML-XUJVJEKNSA-N 2 2 333.867 3.020 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)cn1 ZINC000423393282 309398304 /nfs/dbraw/zinc/39/83/04/309398304.db2.gz MCVQFSWPKLKTLG-QRWLVFNGSA-N 2 2 335.451 3.464 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000423394879 309398346 /nfs/dbraw/zinc/39/83/46/309398346.db2.gz SHLSKSXBIDRHFT-GUYCJALGSA-N 2 2 347.894 3.350 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000423414362 309399294 /nfs/dbraw/zinc/39/92/94/309399294.db2.gz CCOSXPYOVLNLJI-KKSFZXQISA-N 2 2 332.451 3.410 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)CCC[NH2+]1 ZINC000423417004 309399482 /nfs/dbraw/zinc/39/94/82/309399482.db2.gz GEPRREXFUSFCGG-MGPUTAFESA-N 2 2 328.456 3.268 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ncc(Br)cc1F ZINC000423498577 309403132 /nfs/dbraw/zinc/40/31/32/309403132.db2.gz IFQYDMBRIGICRJ-ZANVPECISA-N 2 2 330.245 3.151 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)c1OC ZINC000423527291 309404976 /nfs/dbraw/zinc/40/49/76/309404976.db2.gz MFPWINRAZXGFFH-AYOQOUSVSA-N 2 2 340.467 3.418 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423554624 309406263 /nfs/dbraw/zinc/40/62/63/309406263.db2.gz WZQFZOLYKCJDEV-FUHIMQAGSA-N 3 2 347.934 3.282 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000423815152 309414232 /nfs/dbraw/zinc/41/42/32/309414232.db2.gz HUFSKTGIXXAOIY-HUUCEWRRSA-N 2 2 343.496 3.287 20 0 EGADLP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000427270763 309526268 /nfs/dbraw/zinc/52/62/68/309526268.db2.gz XPXCBNYHSYZNIQ-GFCCVEGCSA-N 2 2 331.803 3.465 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000435371887 309729576 /nfs/dbraw/zinc/72/95/76/309729576.db2.gz XWQGDOZEOOJOJQ-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP Fc1cccc2c1OCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000437092197 309786663 /nfs/dbraw/zinc/78/66/63/309786663.db2.gz DEYRZWYNWWJRBL-QGZVFWFLSA-N 2 2 327.403 3.303 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCCNc1[nH+]c2cccc(F)c2n1C ZINC000443509460 309902142 /nfs/dbraw/zinc/90/21/42/309902142.db2.gz LKIZBNBDBQWITL-UHFFFAOYSA-N 2 2 337.402 3.066 20 0 EGADLP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024141 310030186 /nfs/dbraw/zinc/03/01/86/310030186.db2.gz YJGDUHVCCVBYKV-HZPDHXFCSA-N 2 2 338.442 3.113 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024141 310030187 /nfs/dbraw/zinc/03/01/87/310030187.db2.gz YJGDUHVCCVBYKV-HZPDHXFCSA-N 2 2 338.442 3.113 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229166 310046210 /nfs/dbraw/zinc/04/62/10/310046210.db2.gz YTRPYAJQGZDYNI-HKUYNNGSSA-N 2 2 341.524 3.454 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229166 310046211 /nfs/dbraw/zinc/04/62/11/310046211.db2.gz YTRPYAJQGZDYNI-HKUYNNGSSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229166 310046212 /nfs/dbraw/zinc/04/62/12/310046212.db2.gz YTRPYAJQGZDYNI-HKUYNNGSSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229166 310046213 /nfs/dbraw/zinc/04/62/13/310046213.db2.gz YTRPYAJQGZDYNI-HKUYNNGSSA-N 2 2 341.524 3.454 20 0 EGADLP Cc1cccc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000449264617 310048616 /nfs/dbraw/zinc/04/86/16/310048616.db2.gz PHESDFNVFSDJHS-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP Cc1cccc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000449264617 310048617 /nfs/dbraw/zinc/04/86/17/310048617.db2.gz PHESDFNVFSDJHS-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP Cc1cccc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000449264617 310048618 /nfs/dbraw/zinc/04/86/18/310048618.db2.gz PHESDFNVFSDJHS-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP Cc1cccc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000449264617 310048619 /nfs/dbraw/zinc/04/86/19/310048619.db2.gz PHESDFNVFSDJHS-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP COC(=O)C1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000449350690 310056164 /nfs/dbraw/zinc/05/61/64/310056164.db2.gz LMQXIMBEZGTJNF-UHFFFAOYSA-N 2 2 347.846 3.347 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395147 310058681 /nfs/dbraw/zinc/05/86/81/310058681.db2.gz ICELGRAJMRMFGY-KBPBESRZSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395147 310058682 /nfs/dbraw/zinc/05/86/82/310058682.db2.gz ICELGRAJMRMFGY-KBPBESRZSA-N 2 2 345.314 3.361 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000449475936 310065127 /nfs/dbraw/zinc/06/51/27/310065127.db2.gz FZFQEEUZDLUILS-GFCCVEGCSA-N 2 2 329.835 3.418 20 0 EGADLP C[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000449555031 310071416 /nfs/dbraw/zinc/07/14/16/310071416.db2.gz QIAKLRMIVJWZKJ-GOSISDBHSA-N 2 2 334.467 3.288 20 0 EGADLP C[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000449555031 310071417 /nfs/dbraw/zinc/07/14/17/310071417.db2.gz QIAKLRMIVJWZKJ-GOSISDBHSA-N 2 2 334.467 3.288 20 0 EGADLP CC(C)OCCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000449730575 310082912 /nfs/dbraw/zinc/08/29/12/310082912.db2.gz RGVQJMKJYUOFHI-UHFFFAOYSA-N 2 2 343.471 3.278 20 0 EGADLP COC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@@H]1c1ccccc1 ZINC000449752314 310084513 /nfs/dbraw/zinc/08/45/13/310084513.db2.gz BYCJEAWNBBMCFV-WOJBJXKFSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@@H]1c1ccccc1 ZINC000449752314 310084514 /nfs/dbraw/zinc/08/45/14/310084514.db2.gz BYCJEAWNBBMCFV-WOJBJXKFSA-N 2 2 338.451 3.211 20 0 EGADLP CC(C)n1nccc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786725 310087202 /nfs/dbraw/zinc/08/72/02/310087202.db2.gz PTSBKJNIHGGMFS-UHFFFAOYSA-N 2 2 332.414 3.313 20 0 EGADLP CC(C)n1nccc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786725 310087203 /nfs/dbraw/zinc/08/72/03/310087203.db2.gz PTSBKJNIHGGMFS-UHFFFAOYSA-N 2 2 332.414 3.313 20 0 EGADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450314073 310114925 /nfs/dbraw/zinc/11/49/25/310114925.db2.gz AHVPPSQTUXICQY-LBPRGKRZSA-N 2 2 336.842 3.075 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000450497422 310126542 /nfs/dbraw/zinc/12/65/42/310126542.db2.gz DAYILFPLVNASOM-HNNXBMFYSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000450497422 310126543 /nfs/dbraw/zinc/12/65/43/310126543.db2.gz DAYILFPLVNASOM-HNNXBMFYSA-N 2 2 346.814 3.175 20 0 EGADLP O=C(CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000450498776 310126655 /nfs/dbraw/zinc/12/66/55/310126655.db2.gz IBYOGWLYECWYBG-SFHVURJKSA-N 2 2 328.387 3.337 20 0 EGADLP O=C(CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1 ZINC000450498776 310126656 /nfs/dbraw/zinc/12/66/56/310126656.db2.gz IBYOGWLYECWYBG-SFHVURJKSA-N 2 2 328.387 3.337 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000450632152 310133975 /nfs/dbraw/zinc/13/39/75/310133975.db2.gz LMSXDSQPCIBAMQ-INIZCTEOSA-N 2 2 325.456 3.416 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000450632152 310133976 /nfs/dbraw/zinc/13/39/76/310133976.db2.gz LMSXDSQPCIBAMQ-INIZCTEOSA-N 2 2 325.456 3.416 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000451784393 310197228 /nfs/dbraw/zinc/19/72/28/310197228.db2.gz NXVYMTDGTUXXBS-MSOLQXFVSA-N 2 2 327.428 3.002 20 0 EGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000452051745 310209415 /nfs/dbraw/zinc/20/94/15/310209415.db2.gz MJNAWRYLFTUQPE-PWRODBHTSA-N 2 2 346.515 3.215 20 0 EGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000452051745 310209416 /nfs/dbraw/zinc/20/94/16/310209416.db2.gz MJNAWRYLFTUQPE-PWRODBHTSA-N 2 2 346.515 3.215 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)Cc1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000453068014 310255704 /nfs/dbraw/zinc/25/57/04/310255704.db2.gz CDPZUQWNCMBVKP-UTKZUKDTSA-N 2 2 338.499 3.080 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)Cc1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000453068014 310255705 /nfs/dbraw/zinc/25/57/05/310255705.db2.gz CDPZUQWNCMBVKP-UTKZUKDTSA-N 2 2 338.499 3.080 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453074019 310256159 /nfs/dbraw/zinc/25/61/59/310256159.db2.gz BLXFPWUICKDBEC-NRFANRHFSA-N 2 2 344.499 3.066 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453196021 310263326 /nfs/dbraw/zinc/26/33/26/310263326.db2.gz LBLRURKOCJZXTA-FXAWDEMLSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453196021 310263327 /nfs/dbraw/zinc/26/33/27/310263327.db2.gz LBLRURKOCJZXTA-FXAWDEMLSA-N 2 2 326.488 3.154 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221331 310264949 /nfs/dbraw/zinc/26/49/49/310264949.db2.gz VCGQEOVVSPLTEU-NHCUHLMSSA-N 2 2 339.483 3.413 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221331 310264950 /nfs/dbraw/zinc/26/49/50/310264950.db2.gz VCGQEOVVSPLTEU-NHCUHLMSSA-N 2 2 339.483 3.413 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCCO2 ZINC000453278076 310268864 /nfs/dbraw/zinc/26/88/64/310268864.db2.gz YNEDPJNNHHAKQO-QUCCMNQESA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCCO2 ZINC000453278076 310268865 /nfs/dbraw/zinc/26/88/65/310268865.db2.gz YNEDPJNNHHAKQO-QUCCMNQESA-N 2 2 346.515 3.460 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287209 310269173 /nfs/dbraw/zinc/26/91/73/310269173.db2.gz PTVUSPDBPFHLEG-JLZZUVOBSA-N 2 2 342.405 3.201 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287209 310269174 /nfs/dbraw/zinc/26/91/74/310269174.db2.gz PTVUSPDBPFHLEG-JLZZUVOBSA-N 2 2 342.405 3.201 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263268 310300081 /nfs/dbraw/zinc/30/00/81/310300081.db2.gz KGNWUDMZMADUEB-SJORKVTESA-N 2 2 349.523 3.020 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000459485512 310555970 /nfs/dbraw/zinc/55/59/70/310555970.db2.gz RTSHURNZXPJCCQ-INIZCTEOSA-N 2 2 333.439 3.216 20 0 EGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000474349473 310791241 /nfs/dbraw/zinc/79/12/41/310791241.db2.gz IIPBBJFMHOSZCG-OAHLLOKOSA-N 2 2 336.907 3.493 20 0 EGADLP COC1(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)CCCC1 ZINC000480634921 310898345 /nfs/dbraw/zinc/89/83/45/310898345.db2.gz KYIKJCLXNBROGI-UHFFFAOYSA-N 2 2 345.531 3.056 20 0 EGADLP C(=C/c1ccncc1)\C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000487260848 311018256 /nfs/dbraw/zinc/01/82/56/311018256.db2.gz AXGOZXKGGRCPIU-SNAWJCMRSA-N 2 2 331.529 3.436 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]C/C=C\c3ccncc3)CCCCC2)CCO1 ZINC000487280778 311018941 /nfs/dbraw/zinc/01/89/41/311018941.db2.gz QQJVQFYQTFCVIZ-SREVYHEPSA-N 2 2 343.515 3.498 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]C/C=C\c3ccncc3)CCCCC2)CCO1 ZINC000487280778 311018943 /nfs/dbraw/zinc/01/89/43/311018943.db2.gz QQJVQFYQTFCVIZ-SREVYHEPSA-N 2 2 343.515 3.498 20 0 EGADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488932 311025821 /nfs/dbraw/zinc/02/58/21/311025821.db2.gz TYXOIACSHDKXDW-YOEHRIQHSA-N 2 2 325.412 3.319 20 0 EGADLP Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488932 311025823 /nfs/dbraw/zinc/02/58/23/311025823.db2.gz TYXOIACSHDKXDW-YOEHRIQHSA-N 2 2 325.412 3.319 20 0 EGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CS1 ZINC000488443799 311065912 /nfs/dbraw/zinc/06/59/12/311065912.db2.gz BZVCSVLOQNQCGU-QZTJIDSGSA-N 2 2 340.577 3.389 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCCO2 ZINC000489605545 311114137 /nfs/dbraw/zinc/11/41/37/311114137.db2.gz PEAQXCCMFXFCBE-PKOBYXMFSA-N 2 2 332.488 3.070 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000491060095 311162671 /nfs/dbraw/zinc/16/26/71/311162671.db2.gz MLRLBJODFSWMFB-MSOLQXFVSA-N 2 2 336.838 3.081 20 0 EGADLP CCOC(=O)N1CCC([NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000492138713 311220354 /nfs/dbraw/zinc/22/03/54/311220354.db2.gz XFAFHJPKAXNVED-VQIMIIECSA-N 2 2 347.503 3.197 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000492301603 311235555 /nfs/dbraw/zinc/23/55/55/311235555.db2.gz VSKQWKNJHDADRB-JNSOCZORSA-N 2 2 340.471 3.162 20 0 EGADLP CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000493357638 311364606 /nfs/dbraw/zinc/36/46/06/311364606.db2.gz UUDUDBRKYXKTMM-JBMMNVDBSA-N 2 2 338.455 3.107 20 0 EGADLP CCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000493357638 311364608 /nfs/dbraw/zinc/36/46/08/311364608.db2.gz UUDUDBRKYXKTMM-JBMMNVDBSA-N 2 2 338.455 3.107 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000493789203 311430501 /nfs/dbraw/zinc/43/05/01/311430501.db2.gz LQLQYNSSGDZFIN-FQQSSWHASA-N 2 2 338.455 3.012 20 0 EGADLP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000495840247 311619325 /nfs/dbraw/zinc/61/93/25/311619325.db2.gz JOTYLZILVNNIBM-SJLPKXTDSA-N 2 2 333.476 3.169 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506477214 312050098 /nfs/dbraw/zinc/05/00/98/312050098.db2.gz AILKEHQNGQNPMI-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506477214 312050101 /nfs/dbraw/zinc/05/01/01/312050101.db2.gz AILKEHQNGQNPMI-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506477214 312050102 /nfs/dbraw/zinc/05/01/02/312050102.db2.gz AILKEHQNGQNPMI-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506477214 312050104 /nfs/dbraw/zinc/05/01/04/312050104.db2.gz AILKEHQNGQNPMI-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCOC1 ZINC000507466290 312073509 /nfs/dbraw/zinc/07/35/09/312073509.db2.gz CJKQOMYLTUDKNT-DLBZAZTESA-N 2 2 326.550 3.143 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709144 312100117 /nfs/dbraw/zinc/10/01/17/312100117.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709144 312100118 /nfs/dbraw/zinc/10/01/18/312100118.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709144 312100120 /nfs/dbraw/zinc/10/01/20/312100120.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709144 312100122 /nfs/dbraw/zinc/10/01/22/312100122.db2.gz FWFJCBYOJGYCOJ-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718456 312100830 /nfs/dbraw/zinc/10/08/30/312100830.db2.gz NTSUXHICHXKHHJ-HLAWJBBLSA-N 3 2 331.548 3.463 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cccc(F)c2)c1 ZINC000510720631 312146967 /nfs/dbraw/zinc/14/69/67/312146967.db2.gz MSJIZTBFMOLPJS-SFTDATJTSA-N 2 2 342.458 3.270 20 0 EGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000510737077 312147110 /nfs/dbraw/zinc/14/71/10/312147110.db2.gz RTAZRABTNYSOBR-SUMWQHHRSA-N 2 2 328.472 3.313 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000516606073 312332184 /nfs/dbraw/zinc/33/21/84/312332184.db2.gz AZKCQSZCXSLFNZ-MRXNPFEDSA-N 2 2 335.455 3.366 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000516606073 312332185 /nfs/dbraw/zinc/33/21/85/312332185.db2.gz AZKCQSZCXSLFNZ-MRXNPFEDSA-N 2 2 335.455 3.366 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000516643388 312335086 /nfs/dbraw/zinc/33/50/86/312335086.db2.gz FTVPKCLSDIMATL-IMFGXOCKSA-N 2 2 337.467 3.057 20 0 EGADLP Cc1nn2c(C[NH2+]C[C@H]3[NH2+]CCCC3(C)C)c(C(C)C)nc2s1 ZINC000517017469 312358476 /nfs/dbraw/zinc/35/84/76/312358476.db2.gz LAQZQIZAPNILML-CQSZACIVSA-N 2 2 335.521 3.090 20 0 EGADLP COCCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000528577264 313122101 /nfs/dbraw/zinc/12/21/01/313122101.db2.gz MBUZGXSVVBESHT-OAQYLSRUSA-N 2 2 346.515 3.026 20 0 EGADLP COCCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000528577264 313122103 /nfs/dbraw/zinc/12/21/03/313122103.db2.gz MBUZGXSVVBESHT-OAQYLSRUSA-N 2 2 346.515 3.026 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)cc2)c[nH+]1 ZINC000528739510 313161006 /nfs/dbraw/zinc/16/10/06/313161006.db2.gz ZEAHJGQWDHTVLH-UHFFFAOYSA-N 2 2 331.423 3.098 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)cc2)c[nH+]1 ZINC000528739510 313161010 /nfs/dbraw/zinc/16/10/10/313161010.db2.gz ZEAHJGQWDHTVLH-UHFFFAOYSA-N 2 2 331.423 3.098 20 0 EGADLP Cc1cccn2c(C[N@@H+]3CCc4nc(C(C)(C)C)ncc4C3)cnc12 ZINC000529642226 313376355 /nfs/dbraw/zinc/37/63/55/313376355.db2.gz NJTITHGLFAJRNR-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP Cc1cccn2c(C[N@H+]3CCc4nc(C(C)(C)C)ncc4C3)cnc12 ZINC000529642226 313376359 /nfs/dbraw/zinc/37/63/59/313376359.db2.gz NJTITHGLFAJRNR-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP Cc1cccn2c(C[N@@H+]3CCc4nc(C(C)(C)C)ncc4C3)c[nH+]c12 ZINC000529642226 313376363 /nfs/dbraw/zinc/37/63/63/313376363.db2.gz NJTITHGLFAJRNR-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP Cc1cccn2c(C[N@H+]3CCc4nc(C(C)(C)C)ncc4C3)c[nH+]c12 ZINC000529642226 313376367 /nfs/dbraw/zinc/37/63/67/313376367.db2.gz NJTITHGLFAJRNR-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1sccc1Br)C[NH+]1CCOCC1 ZINC000531976513 313739113 /nfs/dbraw/zinc/73/91/13/313739113.db2.gz SYYBHGWUDVMVMR-RYUDHWBXSA-N 2 2 347.322 3.130 20 0 EGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532926168 313854468 /nfs/dbraw/zinc/85/44/68/313854468.db2.gz UJIPYMUILMSDBB-QGZVFWFLSA-N 2 2 338.879 3.218 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128312 313954332 /nfs/dbraw/zinc/95/43/32/313954332.db2.gz MBHALTBHSIJUEZ-UHFFFAOYSA-N 2 2 343.427 3.100 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000535764346 314070644 /nfs/dbraw/zinc/07/06/44/314070644.db2.gz VGSFVXUVTONPNR-DOMZBBRYSA-N 2 2 333.819 3.348 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000535764346 314070645 /nfs/dbraw/zinc/07/06/45/314070645.db2.gz VGSFVXUVTONPNR-DOMZBBRYSA-N 2 2 333.819 3.348 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000538112756 314226883 /nfs/dbraw/zinc/22/68/83/314226883.db2.gz JGHRKSJKBZRPJP-UTKZUKDTSA-N 2 2 346.515 3.484 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000538256739 314235739 /nfs/dbraw/zinc/23/57/39/314235739.db2.gz BMQCMWUXJFTXGT-JPLJXNOCSA-N 2 2 348.531 3.142 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000539093490 314296060 /nfs/dbraw/zinc/29/60/60/314296060.db2.gz QKORMMKQXHSYSI-LAUBAEHRSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000539093490 314296064 /nfs/dbraw/zinc/29/60/64/314296064.db2.gz QKORMMKQXHSYSI-LAUBAEHRSA-N 2 2 330.516 3.474 20 0 EGADLP COc1ccc([C@@H](C)C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000540497291 314384793 /nfs/dbraw/zinc/38/47/93/314384793.db2.gz WZCVHTULWPNBBG-INIZCTEOSA-N 2 2 341.455 3.025 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548902326 315061222 /nfs/dbraw/zinc/06/12/22/315061222.db2.gz PXGMBEYMUMVETQ-MRXNPFEDSA-N 2 2 339.439 3.334 20 0 EGADLP CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548902326 315061223 /nfs/dbraw/zinc/06/12/23/315061223.db2.gz PXGMBEYMUMVETQ-MRXNPFEDSA-N 2 2 339.439 3.334 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(F)c(C)c3)c2cc1C ZINC000548945888 315064509 /nfs/dbraw/zinc/06/45/09/315064509.db2.gz IJWPQHQMJPYCGH-KRWDZBQOSA-N 2 2 341.430 3.251 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000550260125 315121845 /nfs/dbraw/zinc/12/18/45/315121845.db2.gz ZLFPIFJKTOQKEA-AWEZNQCLSA-N 2 2 346.862 3.118 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000550260125 315121847 /nfs/dbraw/zinc/12/18/47/315121847.db2.gz ZLFPIFJKTOQKEA-AWEZNQCLSA-N 2 2 346.862 3.118 20 0 EGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)S1 ZINC000551699880 315163901 /nfs/dbraw/zinc/16/39/01/315163901.db2.gz NTDXDXKFYNUPSN-LMMKCTJWSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)S1 ZINC000551699880 315163904 /nfs/dbraw/zinc/16/39/04/315163904.db2.gz NTDXDXKFYNUPSN-LMMKCTJWSA-N 2 2 334.529 3.103 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000552048595 315192772 /nfs/dbraw/zinc/19/27/72/315192772.db2.gz XPYBMPFZIGSHHV-UTKZUKDTSA-N 2 2 339.483 3.305 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000552048595 315192774 /nfs/dbraw/zinc/19/27/74/315192774.db2.gz XPYBMPFZIGSHHV-UTKZUKDTSA-N 2 2 339.483 3.305 20 0 EGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090243 315196704 /nfs/dbraw/zinc/19/67/04/315196704.db2.gz FLSOXVPMPHLOKQ-PBHICJAKSA-N 2 2 339.911 3.179 20 0 EGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090243 315196707 /nfs/dbraw/zinc/19/67/07/315196707.db2.gz FLSOXVPMPHLOKQ-PBHICJAKSA-N 2 2 339.911 3.179 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)Cc3cccs3)c2cc1C ZINC000552570320 315225146 /nfs/dbraw/zinc/22/51/46/315225146.db2.gz BIELQWAXQGDVPZ-CVEARBPZSA-N 2 2 343.496 3.296 20 0 EGADLP CC[C@@H]1CC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000554385367 315314578 /nfs/dbraw/zinc/31/45/78/315314578.db2.gz ZWHAQNMHPKGZLL-GDBMZVCRSA-N 2 2 328.460 3.038 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000554718247 315345072 /nfs/dbraw/zinc/34/50/72/315345072.db2.gz QPEZCKRWTRFYMR-FZMZJTMJSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000554718247 315345073 /nfs/dbraw/zinc/34/50/73/315345073.db2.gz QPEZCKRWTRFYMR-FZMZJTMJSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)O ZINC000562984853 315934612 /nfs/dbraw/zinc/93/46/12/315934612.db2.gz LYMDFISGBUMDGC-SJORKVTESA-N 2 2 335.451 3.457 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)CC2)c1 ZINC000563362254 316007542 /nfs/dbraw/zinc/00/75/42/316007542.db2.gz CTTRQBYVKVFQLK-RBUKOAKNSA-N 2 2 344.499 3.161 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)CC2)c1 ZINC000563362254 316007544 /nfs/dbraw/zinc/00/75/44/316007544.db2.gz CTTRQBYVKVFQLK-RBUKOAKNSA-N 2 2 344.499 3.161 20 0 EGADLP COCc1cccc(OCC2(C[NH+]3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)CC2)c1 ZINC000563362254 316007548 /nfs/dbraw/zinc/00/75/48/316007548.db2.gz CTTRQBYVKVFQLK-RBUKOAKNSA-N 2 2 344.499 3.161 20 0 EGADLP COCc1cccc(OCC2(C[NH+]3[C@@H]4CC[C@H]3CC[N@H+](C)C4)CC2)c1 ZINC000563362254 316007551 /nfs/dbraw/zinc/00/75/51/316007551.db2.gz CTTRQBYVKVFQLK-RBUKOAKNSA-N 2 2 344.499 3.161 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563429336 316020437 /nfs/dbraw/zinc/02/04/37/316020437.db2.gz WCTQHDMTAPFTQH-QGZVFWFLSA-N 2 2 349.544 3.487 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000563429336 316020441 /nfs/dbraw/zinc/02/04/41/316020441.db2.gz WCTQHDMTAPFTQH-QGZVFWFLSA-N 2 2 349.544 3.487 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000563807592 316071914 /nfs/dbraw/zinc/07/19/14/316071914.db2.gz AGAUPSMDRIUOMU-KRWDZBQOSA-N 2 2 346.519 3.102 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667677 316185543 /nfs/dbraw/zinc/18/55/43/316185543.db2.gz WBRSKXYYJJNUDS-GXFFZTMASA-N 2 2 340.349 3.067 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667677 316185547 /nfs/dbraw/zinc/18/55/47/316185547.db2.gz WBRSKXYYJJNUDS-GXFFZTMASA-N 2 2 340.349 3.067 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])ccc2n1C1CC1 ZINC000564937742 316235199 /nfs/dbraw/zinc/23/51/99/316235199.db2.gz PBFPCQNNOUAXPN-WBVHZDCISA-N 2 2 340.471 3.203 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000565594222 316344455 /nfs/dbraw/zinc/34/44/55/316344455.db2.gz LHJGGSUVUOZPDO-CQSZACIVSA-N 2 2 346.862 3.341 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)n1C ZINC000565609856 316347354 /nfs/dbraw/zinc/34/73/54/316347354.db2.gz MQRLUIOTHWXPAU-VIFPVBQESA-N 2 2 326.213 3.481 20 0 EGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000565877375 316382283 /nfs/dbraw/zinc/38/22/83/316382283.db2.gz QNIKJRYXIQPTBT-HOCLYGCPSA-N 2 2 333.524 3.235 20 0 EGADLP COc1cccc2c1CC[C@@H](Nc1ccc(Cn3cc[nH+]c3)c[nH+]1)C2 ZINC000568800233 316823784 /nfs/dbraw/zinc/82/37/84/316823784.db2.gz LXMMZZJIBGZQCC-QGZVFWFLSA-N 2 2 334.423 3.304 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000570817540 317113230 /nfs/dbraw/zinc/11/32/30/317113230.db2.gz FQGJKPFVPHFWKP-QZTJIDSGSA-N 2 2 340.471 3.263 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000570817540 317113232 /nfs/dbraw/zinc/11/32/32/317113232.db2.gz FQGJKPFVPHFWKP-QZTJIDSGSA-N 2 2 340.471 3.263 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)n1C ZINC000571061233 317146997 /nfs/dbraw/zinc/14/69/97/317146997.db2.gz QMCOEGDNCAXSLZ-YWZLYKJASA-N 2 2 343.471 3.144 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc3cnn(C)c3c2)n1-c1ccccc1 ZINC000571850262 317255163 /nfs/dbraw/zinc/25/51/63/317255163.db2.gz PGTMAHOLXFHEMP-UHFFFAOYSA-N 2 2 331.423 3.357 20 0 EGADLP CC(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C(C)C)c1 ZINC000572009670 317279095 /nfs/dbraw/zinc/27/90/95/317279095.db2.gz UZSCBMPNLQVQMJ-MRXNPFEDSA-N 2 2 332.492 3.040 20 0 EGADLP CC(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C(C)C)c1 ZINC000572009670 317279099 /nfs/dbraw/zinc/27/90/99/317279099.db2.gz UZSCBMPNLQVQMJ-MRXNPFEDSA-N 2 2 332.492 3.040 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703591 317377430 /nfs/dbraw/zinc/37/74/30/317377430.db2.gz SDMWBXWENVJPAR-CQSZACIVSA-N 2 2 341.846 3.249 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000572703591 317377433 /nfs/dbraw/zinc/37/74/33/317377433.db2.gz SDMWBXWENVJPAR-CQSZACIVSA-N 2 2 341.846 3.249 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035095 323349466 /nfs/dbraw/zinc/34/94/66/323349466.db2.gz JKOGKLLSOQLCBX-FQEVSTJZSA-N 2 2 326.488 3.238 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035095 323349468 /nfs/dbraw/zinc/34/94/68/323349468.db2.gz JKOGKLLSOQLCBX-FQEVSTJZSA-N 2 2 326.488 3.238 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035095 323349472 /nfs/dbraw/zinc/34/94/72/323349472.db2.gz JKOGKLLSOQLCBX-FQEVSTJZSA-N 2 2 326.488 3.238 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035095 323349476 /nfs/dbraw/zinc/34/94/76/323349476.db2.gz JKOGKLLSOQLCBX-FQEVSTJZSA-N 2 2 326.488 3.238 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179207668 323374344 /nfs/dbraw/zinc/37/43/44/323374344.db2.gz JOBNNSGPIIQTLR-WDEREUQCSA-N 2 2 332.311 3.288 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000179460768 323389488 /nfs/dbraw/zinc/38/94/88/323389488.db2.gz LDXOEBOBCSTJIJ-OEBLSADRSA-N 2 2 336.479 3.315 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000179460768 323389492 /nfs/dbraw/zinc/38/94/92/323389492.db2.gz LDXOEBOBCSTJIJ-OEBLSADRSA-N 2 2 336.479 3.315 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)Cn1cc[nH+]c1 ZINC000183455128 323617049 /nfs/dbraw/zinc/61/70/49/323617049.db2.gz BERKHQOAAKUKJV-GFCCVEGCSA-N 2 2 345.340 3.389 20 0 EGADLP CCCC[C@H](C(=O)OC)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332932 324256394 /nfs/dbraw/zinc/25/63/94/324256394.db2.gz OCFAQZDSYFPNCB-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332932 324256399 /nfs/dbraw/zinc/25/63/99/324256399.db2.gz OCFAQZDSYFPNCB-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383332932 324256403 /nfs/dbraw/zinc/25/64/03/324256403.db2.gz OCFAQZDSYFPNCB-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383332932 324256406 /nfs/dbraw/zinc/25/64/06/324256406.db2.gz OCFAQZDSYFPNCB-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000384910912 324261167 /nfs/dbraw/zinc/26/11/67/324261167.db2.gz YKPKXRUNGVFSRG-UHFFFAOYSA-N 2 2 336.650 3.007 20 0 EGADLP C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000384910912 324261169 /nfs/dbraw/zinc/26/11/69/324261169.db2.gz YKPKXRUNGVFSRG-UHFFFAOYSA-N 2 2 336.650 3.007 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389860070 324281181 /nfs/dbraw/zinc/28/11/81/324281181.db2.gz FZNDHJATUZKIQC-HNAYVOBHSA-N 2 2 328.431 3.444 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389860070 324281183 /nfs/dbraw/zinc/28/11/83/324281183.db2.gz FZNDHJATUZKIQC-HNAYVOBHSA-N 2 2 328.431 3.444 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCC[NH+]1C ZINC000397985287 324295083 /nfs/dbraw/zinc/29/50/83/324295083.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCC[NH+]1C ZINC000397985287 324295086 /nfs/dbraw/zinc/29/50/86/324295086.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000397985287 324295088 /nfs/dbraw/zinc/29/50/88/324295088.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000397985287 324295093 /nfs/dbraw/zinc/29/50/93/324295093.db2.gz ODTYVCMIDANMRG-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]CCC(=O)Nc1cccnc1)c1ccccc1 ZINC000575368317 324454288 /nfs/dbraw/zinc/45/42/88/324454288.db2.gz VCZYTDFZPWWUTI-LJQANCHMSA-N 2 2 340.471 3.083 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000580326210 325235246 /nfs/dbraw/zinc/23/52/46/325235246.db2.gz LJUICCVWTPUUAS-YOEHRIQHSA-N 2 2 338.879 3.069 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000580326210 325235248 /nfs/dbraw/zinc/23/52/48/325235248.db2.gz LJUICCVWTPUUAS-YOEHRIQHSA-N 2 2 338.879 3.069 20 0 EGADLP CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCn1cc[nH+]c1 ZINC000580399618 325243475 /nfs/dbraw/zinc/24/34/75/325243475.db2.gz YKAZQXTUUPMSCX-CQSZACIVSA-N 2 2 334.261 3.483 20 0 EGADLP CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCn1cc[nH+]c1 ZINC000580399618 325243476 /nfs/dbraw/zinc/24/34/76/325243476.db2.gz YKAZQXTUUPMSCX-CQSZACIVSA-N 2 2 334.261 3.483 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000580700373 325285448 /nfs/dbraw/zinc/28/54/48/325285448.db2.gz VGVWAJIVGNHBHC-MRXNPFEDSA-N 2 2 336.483 3.281 20 0 EGADLP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Cl)s1 ZINC000581006912 325320196 /nfs/dbraw/zinc/32/01/96/325320196.db2.gz WFZXWMUFHOWOPC-NSHDSACASA-N 2 2 339.896 3.228 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000581469113 325363760 /nfs/dbraw/zinc/36/37/60/325363760.db2.gz SJEXVULRRPFDKN-RMJJICAUSA-N 2 2 346.515 3.432 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000581924311 325399016 /nfs/dbraw/zinc/39/90/16/325399016.db2.gz ZEOKNUYTKDXNRX-MSOLQXFVSA-N 2 2 335.455 3.422 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Br)cn1)CCC2 ZINC000344538232 456836414 /nfs/dbraw/zinc/83/64/14/456836414.db2.gz LBEISSZSWCYJKF-GFCCVEGCSA-N 2 2 335.249 3.016 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)n2c1 ZINC000189627612 455224491 /nfs/dbraw/zinc/22/44/91/455224491.db2.gz PMKXVUPUBUCUGY-XJKSGUPXSA-N 2 2 341.377 3.216 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[C@H]([NH3+])C4)cc3)[nH+]c12 ZINC000237859496 455226982 /nfs/dbraw/zinc/22/69/82/455226982.db2.gz NZCMSTSQZXJMEB-HOTGVXAUSA-N 2 2 334.423 3.376 20 0 EGADLP Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)nc(C2CC2)[nH+]1 ZINC000264611209 455248074 /nfs/dbraw/zinc/24/80/74/455248074.db2.gz FILIBYJPVLHSSG-UHFFFAOYSA-N 2 2 338.455 3.107 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264615164 455248823 /nfs/dbraw/zinc/24/88/23/455248823.db2.gz LNPJRPNXOBQBJJ-IBGZPJMESA-N 2 2 340.471 3.130 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000484911710 459434632 /nfs/dbraw/zinc/43/46/32/459434632.db2.gz RTSAHDGFSSJXTF-UHFFFAOYSA-N 2 2 339.568 3.323 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000484911710 459434640 /nfs/dbraw/zinc/43/46/40/459434640.db2.gz RTSAHDGFSSJXTF-UHFFFAOYSA-N 2 2 339.568 3.323 20 0 EGADLP O=C(CC1CC[NH2+]CC1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000238155720 455256789 /nfs/dbraw/zinc/25/67/89/455256789.db2.gz FVZIFCFRCUKCMK-UHFFFAOYSA-N 2 2 338.455 3.215 20 0 EGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623453618 460557214 /nfs/dbraw/zinc/55/72/14/460557214.db2.gz XHIGOWKZOWNHPF-KGLIPLIRSA-N 2 2 348.434 3.234 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447857 455304262 /nfs/dbraw/zinc/30/42/62/455304262.db2.gz MKZKDVWXXRGBKJ-MSOLQXFVSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447857 455304267 /nfs/dbraw/zinc/30/42/67/455304267.db2.gz MKZKDVWXXRGBKJ-MSOLQXFVSA-N 2 2 329.488 3.130 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[N@H+](CC(C)C)CCO3)oc21 ZINC000181412141 455331314 /nfs/dbraw/zinc/33/13/14/455331314.db2.gz NRHKJPPVGVPPFA-RDJZCZTQSA-N 2 2 346.471 3.449 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[N@@H+](CC(C)C)CCO3)oc21 ZINC000181412141 455331319 /nfs/dbraw/zinc/33/13/19/455331319.db2.gz NRHKJPPVGVPPFA-RDJZCZTQSA-N 2 2 346.471 3.449 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857240 460582169 /nfs/dbraw/zinc/58/21/69/460582169.db2.gz FLAYAUAROMOAQU-JKSUJKDBSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857240 460582175 /nfs/dbraw/zinc/58/21/75/460582175.db2.gz FLAYAUAROMOAQU-JKSUJKDBSA-N 2 2 339.439 3.229 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686214 455355267 /nfs/dbraw/zinc/35/52/67/455355267.db2.gz AIMUJOCONDXHCF-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686214 455355269 /nfs/dbraw/zinc/35/52/69/455355269.db2.gz AIMUJOCONDXHCF-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686214 455355271 /nfs/dbraw/zinc/35/52/71/455355271.db2.gz AIMUJOCONDXHCF-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686214 455355273 /nfs/dbraw/zinc/35/52/73/455355273.db2.gz AIMUJOCONDXHCF-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000076002292 453947461 /nfs/dbraw/zinc/94/74/61/453947461.db2.gz IPZQRYKKPZBHFY-YESZJQIVSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000076002292 453947465 /nfs/dbraw/zinc/94/74/65/453947465.db2.gz IPZQRYKKPZBHFY-YESZJQIVSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000076004837 453948763 /nfs/dbraw/zinc/94/87/63/453948763.db2.gz YGGDSXJNRALSRN-GHTZIAJQSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000076004837 453948766 /nfs/dbraw/zinc/94/87/66/453948766.db2.gz YGGDSXJNRALSRN-GHTZIAJQSA-N 2 2 345.531 3.164 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)o3)c2)CCO1 ZINC000067976635 453985278 /nfs/dbraw/zinc/98/52/78/453985278.db2.gz XPRDLYFBFANLBD-CQSZACIVSA-N 2 2 334.847 3.444 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)o3)c2)CCO1 ZINC000067976635 453985281 /nfs/dbraw/zinc/98/52/81/453985281.db2.gz XPRDLYFBFANLBD-CQSZACIVSA-N 2 2 334.847 3.444 20 0 EGADLP Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000069228928 454088446 /nfs/dbraw/zinc/08/84/46/454088446.db2.gz AFQGQQNMZSCONU-ZDUSSCGKSA-N 2 2 332.398 3.255 20 0 EGADLP CC1(C)[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)[C@H]2CCCO[C@H]21 ZINC000245939907 455403948 /nfs/dbraw/zinc/40/39/48/455403948.db2.gz USIGGNBNMRUOLS-BRWVUGGUSA-N 2 2 338.561 3.141 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cccc3c2OCCCO3)c[nH+]1 ZINC000069676006 454132114 /nfs/dbraw/zinc/13/21/14/454132114.db2.gz VOBRZVSIJJKPDW-UHFFFAOYSA-N 2 2 349.434 3.383 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000089369309 454142372 /nfs/dbraw/zinc/14/23/72/454142372.db2.gz RGWZACCYYOZYMS-UHFFFAOYSA-N 2 2 342.487 3.102 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000089369309 454142374 /nfs/dbraw/zinc/14/23/74/454142374.db2.gz RGWZACCYYOZYMS-UHFFFAOYSA-N 2 2 342.487 3.102 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000057924338 454157261 /nfs/dbraw/zinc/15/72/61/454157261.db2.gz GXZZTTLWSGUKSD-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000057924338 454157265 /nfs/dbraw/zinc/15/72/65/454157265.db2.gz GXZZTTLWSGUKSD-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP Cc1cc(NCc2cc[nH+]c(N3CCOCC3)c2)c2ccccc2[nH+]1 ZINC000045733212 454176496 /nfs/dbraw/zinc/17/64/96/454176496.db2.gz DRNWKDJPQIFBCQ-UHFFFAOYSA-N 2 2 334.423 3.387 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000119318466 454187057 /nfs/dbraw/zinc/18/70/57/454187057.db2.gz JXKWSKJEBGBGBE-ZWKOTPCHSA-N 2 2 331.504 3.485 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C(C)(C)O1 ZINC000095420010 454207853 /nfs/dbraw/zinc/20/78/53/454207853.db2.gz MJHJAGPDOAPJLI-KRWDZBQOSA-N 2 2 327.472 3.410 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000095421747 454207967 /nfs/dbraw/zinc/20/79/67/454207967.db2.gz OQDWZEUOPVYSFC-FXAWDEMLSA-N 2 2 341.499 3.481 20 0 EGADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000078246756 454216113 /nfs/dbraw/zinc/21/61/13/454216113.db2.gz PGFFRRAMWMRWRM-OAHLLOKOSA-N 2 2 331.847 3.189 20 0 EGADLP CN(C)C(=O)[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000078279904 454222796 /nfs/dbraw/zinc/22/27/96/454222796.db2.gz YKLOAWLPHAZODA-IBGZPJMESA-N 2 2 331.504 3.060 20 0 EGADLP CN(C)C(=O)[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000078279904 454222800 /nfs/dbraw/zinc/22/28/00/454222800.db2.gz YKLOAWLPHAZODA-IBGZPJMESA-N 2 2 331.504 3.060 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000090003964 454260874 /nfs/dbraw/zinc/26/08/74/454260874.db2.gz SGTBBOXKIVYXDW-HNNXBMFYSA-N 2 2 335.398 3.476 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000090003964 454260875 /nfs/dbraw/zinc/26/08/75/454260875.db2.gz SGTBBOXKIVYXDW-HNNXBMFYSA-N 2 2 335.398 3.476 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000090047030 454267176 /nfs/dbraw/zinc/26/71/76/454267176.db2.gz SJWMRXKNFLXAHM-UONOGXRCSA-N 2 2 328.403 3.049 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131826148 454289290 /nfs/dbraw/zinc/28/92/90/454289290.db2.gz DJLNJQSOZZZYRS-IBGZPJMESA-N 2 2 339.439 3.297 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131826148 454289294 /nfs/dbraw/zinc/28/92/94/454289294.db2.gz DJLNJQSOZZZYRS-IBGZPJMESA-N 2 2 339.439 3.297 20 0 EGADLP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000132429436 454337639 /nfs/dbraw/zinc/33/76/39/454337639.db2.gz ISPVPQNRDVRDTI-MRXNPFEDSA-N 2 2 327.447 3.406 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000072965500 454371813 /nfs/dbraw/zinc/37/18/13/454371813.db2.gz LSURVHKRQFMLEE-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000072965500 454371816 /nfs/dbraw/zinc/37/18/16/454371816.db2.gz LSURVHKRQFMLEE-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000072965500 454371820 /nfs/dbraw/zinc/37/18/20/454371820.db2.gz LSURVHKRQFMLEE-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000072965500 454371822 /nfs/dbraw/zinc/37/18/22/454371822.db2.gz LSURVHKRQFMLEE-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO1 ZINC000072979385 454375682 /nfs/dbraw/zinc/37/56/82/454375682.db2.gz SGELPGHLQCRSFN-LJQANCHMSA-N 2 2 343.471 3.353 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCO1 ZINC000072979385 454375685 /nfs/dbraw/zinc/37/56/85/454375685.db2.gz SGELPGHLQCRSFN-LJQANCHMSA-N 2 2 343.471 3.353 20 0 EGADLP CC[C@@H](CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000063312815 454405773 /nfs/dbraw/zinc/40/57/73/454405773.db2.gz DNNWGFZNOPUYKR-KRWDZBQOSA-N 2 2 339.439 3.082 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097159264 454417805 /nfs/dbraw/zinc/41/78/05/454417805.db2.gz ZYTYKPKQNWLLIR-FQEVSTJZSA-N 2 2 347.466 3.226 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097159264 454417809 /nfs/dbraw/zinc/41/78/09/454417809.db2.gz ZYTYKPKQNWLLIR-FQEVSTJZSA-N 2 2 347.466 3.226 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000098143633 454462553 /nfs/dbraw/zinc/46/25/53/454462553.db2.gz PQHGXXBZAZXJRJ-IFMALSPDSA-N 2 2 336.479 3.073 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000098143633 454462559 /nfs/dbraw/zinc/46/25/59/454462559.db2.gz PQHGXXBZAZXJRJ-IFMALSPDSA-N 2 2 336.479 3.073 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)c2cc1C ZINC000048263419 454464449 /nfs/dbraw/zinc/46/44/49/454464449.db2.gz BQCZRXKJZZQRRZ-QFBILLFUSA-N 2 2 338.455 3.179 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H]3c3ccc[nH]3)c2cc1C ZINC000048263419 454464451 /nfs/dbraw/zinc/46/44/51/454464451.db2.gz BQCZRXKJZZQRRZ-QFBILLFUSA-N 2 2 338.455 3.179 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975929 460637888 /nfs/dbraw/zinc/63/78/88/460637888.db2.gz KAKNDXNRTLNBBM-IERDGZPVSA-N 2 2 332.451 3.240 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975929 460637897 /nfs/dbraw/zinc/63/78/97/460637897.db2.gz KAKNDXNRTLNBBM-IERDGZPVSA-N 2 2 332.451 3.240 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091959787 454495314 /nfs/dbraw/zinc/49/53/14/454495314.db2.gz KMPLMOKCBMFCMU-WBVHZDCISA-N 2 2 327.428 3.128 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091959787 454495319 /nfs/dbraw/zinc/49/53/19/454495319.db2.gz KMPLMOKCBMFCMU-WBVHZDCISA-N 2 2 327.428 3.128 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043752 454507492 /nfs/dbraw/zinc/50/74/92/454507492.db2.gz IPUAPVBFJIGATP-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043752 454507497 /nfs/dbraw/zinc/50/74/97/454507497.db2.gz IPUAPVBFJIGATP-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043752 454507502 /nfs/dbraw/zinc/50/75/02/454507502.db2.gz IPUAPVBFJIGATP-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043752 454507506 /nfs/dbraw/zinc/50/75/06/454507506.db2.gz IPUAPVBFJIGATP-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066476 454513155 /nfs/dbraw/zinc/51/31/55/454513155.db2.gz AHHXVSYNJLDYIT-UYAOXDASSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066476 454513158 /nfs/dbraw/zinc/51/31/58/454513158.db2.gz AHHXVSYNJLDYIT-UYAOXDASSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066476 454513161 /nfs/dbraw/zinc/51/31/61/454513161.db2.gz AHHXVSYNJLDYIT-UYAOXDASSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066476 454513166 /nfs/dbraw/zinc/51/31/66/454513166.db2.gz AHHXVSYNJLDYIT-UYAOXDASSA-N 2 2 340.515 3.131 20 0 EGADLP CCOc1c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)nn1CC(C)C ZINC000092253366 454542414 /nfs/dbraw/zinc/54/24/14/454542414.db2.gz WGPMGKBSFQOXDR-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)nn1CC(C)C ZINC000092253366 454542419 /nfs/dbraw/zinc/54/24/19/454542419.db2.gz WGPMGKBSFQOXDR-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000092253366 454542422 /nfs/dbraw/zinc/54/24/22/454542422.db2.gz WGPMGKBSFQOXDR-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)nn1CC(C)C ZINC000092253366 454542425 /nfs/dbraw/zinc/54/24/25/454542425.db2.gz WGPMGKBSFQOXDR-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000074194368 454543048 /nfs/dbraw/zinc/54/30/48/454543048.db2.gz IFDGLQPJENEBJE-UHFFFAOYSA-N 2 2 345.834 3.014 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134921975 454609516 /nfs/dbraw/zinc/60/95/16/454609516.db2.gz DTQSAECOSXFYJK-BEFAXECRSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134921975 454609519 /nfs/dbraw/zinc/60/95/19/454609519.db2.gz DTQSAECOSXFYJK-BEFAXECRSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134921975 454609523 /nfs/dbraw/zinc/60/95/23/454609523.db2.gz DTQSAECOSXFYJK-BEFAXECRSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134921975 454609528 /nfs/dbraw/zinc/60/95/28/454609528.db2.gz DTQSAECOSXFYJK-BEFAXECRSA-N 2 2 345.462 3.021 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@H](C)[C@@H]1OC ZINC000092768561 454629103 /nfs/dbraw/zinc/62/91/03/454629103.db2.gz GVADZLIUHPBHPT-DBVUQKKJSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000123393410 454632176 /nfs/dbraw/zinc/63/21/76/454632176.db2.gz VSWBTFILEMXYIB-INIZCTEOSA-N 2 2 343.446 3.088 20 0 EGADLP CCCCc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000051959538 454642456 /nfs/dbraw/zinc/64/24/56/454642456.db2.gz ZSKZDPVSDGLOBH-UHFFFAOYSA-N 2 2 337.533 3.030 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000080961676 454659789 /nfs/dbraw/zinc/65/97/89/454659789.db2.gz SNAOKAAEJSXCSR-HNNXBMFYSA-N 2 2 338.411 3.453 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000080961676 454659793 /nfs/dbraw/zinc/65/97/93/454659793.db2.gz SNAOKAAEJSXCSR-HNNXBMFYSA-N 2 2 338.411 3.453 20 0 EGADLP Cn1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2cc(Cl)ccc21 ZINC000080988689 454666670 /nfs/dbraw/zinc/66/66/70/454666670.db2.gz ANICFQFGKHFCOD-GFCCVEGCSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2cc(Cl)ccc21 ZINC000080988689 454666672 /nfs/dbraw/zinc/66/66/72/454666672.db2.gz ANICFQFGKHFCOD-GFCCVEGCSA-N 2 2 329.835 3.329 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080988880 454666752 /nfs/dbraw/zinc/66/67/52/454666752.db2.gz IHUDBRQRFBBVGJ-HOCLYGCPSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080988880 454666757 /nfs/dbraw/zinc/66/67/57/454666757.db2.gz IHUDBRQRFBBVGJ-HOCLYGCPSA-N 2 2 326.444 3.179 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)CC(C)C ZINC000106525506 454698953 /nfs/dbraw/zinc/69/89/53/454698953.db2.gz PUIKDCACVSKLEO-IRXDYDNUSA-N 2 2 349.523 3.403 20 0 EGADLP C[N@@H+](Cc1cccc2c1OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336811 454704531 /nfs/dbraw/zinc/70/45/31/454704531.db2.gz IPWOOZIKZUTWDO-GOSISDBHSA-N 2 2 338.451 3.369 20 0 EGADLP C[N@H+](Cc1cccc2c1OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336811 454704532 /nfs/dbraw/zinc/70/45/32/454704532.db2.gz IPWOOZIKZUTWDO-GOSISDBHSA-N 2 2 338.451 3.369 20 0 EGADLP C[NH+](Cc1cccc2c1OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336811 454704537 /nfs/dbraw/zinc/70/45/37/454704537.db2.gz IPWOOZIKZUTWDO-GOSISDBHSA-N 2 2 338.451 3.369 20 0 EGADLP C[NH+](Cc1cccc2c1OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336811 454704540 /nfs/dbraw/zinc/70/45/40/454704540.db2.gz IPWOOZIKZUTWDO-GOSISDBHSA-N 2 2 338.451 3.369 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC(C)(C)[NH+]3CCCCC3)CC2)n1 ZINC000152661752 454707702 /nfs/dbraw/zinc/70/77/02/454707702.db2.gz CDSLAAXIZPYNSL-UHFFFAOYSA-N 2 2 336.549 3.274 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597600 454722623 /nfs/dbraw/zinc/72/26/23/454722623.db2.gz PENQNPCJOLPTNU-OAHLLOKOSA-N 2 2 328.435 3.134 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597600 454722625 /nfs/dbraw/zinc/72/26/25/454722625.db2.gz PENQNPCJOLPTNU-OAHLLOKOSA-N 2 2 328.435 3.134 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124386762 454726949 /nfs/dbraw/zinc/72/69/49/454726949.db2.gz SYSWUCXSZDBDNF-MJGOQNOKSA-N 2 2 342.487 3.251 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124386762 454726955 /nfs/dbraw/zinc/72/69/55/454726955.db2.gz SYSWUCXSZDBDNF-MJGOQNOKSA-N 2 2 342.487 3.251 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(Cc2ccccc2)c1 ZINC000152805178 454727480 /nfs/dbraw/zinc/72/74/80/454727480.db2.gz NXBFWYAQZKJSJN-KRWDZBQOSA-N 2 2 349.482 3.358 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742167 454731587 /nfs/dbraw/zinc/73/15/87/454731587.db2.gz KOQOGWDPMPARDM-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742167 454731590 /nfs/dbraw/zinc/73/15/90/454731590.db2.gz KOQOGWDPMPARDM-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742167 454731593 /nfs/dbraw/zinc/73/15/93/454731593.db2.gz KOQOGWDPMPARDM-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742167 454731595 /nfs/dbraw/zinc/73/15/95/454731595.db2.gz KOQOGWDPMPARDM-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)[nH]1 ZINC000093795131 454735991 /nfs/dbraw/zinc/73/59/91/454735991.db2.gz CSVIYEJWUYKAQG-HKUYNNGSSA-N 2 2 341.455 3.347 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)[nH]1 ZINC000093795131 454735997 /nfs/dbraw/zinc/73/59/97/454735997.db2.gz CSVIYEJWUYKAQG-HKUYNNGSSA-N 2 2 341.455 3.347 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2cccc(F)c2)cn1 ZINC000635009521 460651766 /nfs/dbraw/zinc/65/17/66/460651766.db2.gz HQNFNTRGGKZWFY-ROUUACIJSA-N 2 2 330.451 3.016 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000161999626 454744852 /nfs/dbraw/zinc/74/48/52/454744852.db2.gz ITRIQOZKDHGDRL-ZCNNSNEGSA-N 2 2 343.515 3.125 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000107284962 454749614 /nfs/dbraw/zinc/74/96/14/454749614.db2.gz WTZKDVIWWIJDAT-UHFFFAOYSA-N 2 2 327.453 3.191 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2cccc(F)c2)cn1 ZINC000635009515 460652252 /nfs/dbraw/zinc/65/22/52/460652252.db2.gz HQNFNTRGGKZWFY-MSOLQXFVSA-N 2 2 330.451 3.016 20 0 EGADLP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(OC)c1OC ZINC000153394016 454789446 /nfs/dbraw/zinc/78/94/46/454789446.db2.gz OZZVKIANVIOXLU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(OC)c1OC ZINC000153394016 454789449 /nfs/dbraw/zinc/78/94/49/454789449.db2.gz OZZVKIANVIOXLU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(OC)c1OC ZINC000153394016 454789450 /nfs/dbraw/zinc/78/94/50/454789450.db2.gz OZZVKIANVIOXLU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(OC)c1OC ZINC000153394016 454789452 /nfs/dbraw/zinc/78/94/52/454789452.db2.gz OZZVKIANVIOXLU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000125001204 454790051 /nfs/dbraw/zinc/79/00/51/454790051.db2.gz WBGGPKDBIBWELF-MMKMLUHNSA-N 2 2 329.532 3.450 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000125001204 454790054 /nfs/dbraw/zinc/79/00/54/454790054.db2.gz WBGGPKDBIBWELF-MMKMLUHNSA-N 2 2 329.532 3.450 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)oc2c1 ZINC000163350551 454841025 /nfs/dbraw/zinc/84/10/25/454841025.db2.gz YUOSAKYKBSMXCC-ZDUSSCGKSA-N 2 2 326.375 3.296 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)oc2c1 ZINC000163350551 454841028 /nfs/dbraw/zinc/84/10/28/454841028.db2.gz YUOSAKYKBSMXCC-ZDUSSCGKSA-N 2 2 326.375 3.296 20 0 EGADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177317943 454851293 /nfs/dbraw/zinc/85/12/93/454851293.db2.gz ZOBUJZBISWDVKM-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154037943 454859540 /nfs/dbraw/zinc/85/95/40/454859540.db2.gz OHFVJFDYWQSALD-IRXDYDNUSA-N 2 2 326.444 3.047 20 0 EGADLP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154037943 454859544 /nfs/dbraw/zinc/85/95/44/454859544.db2.gz OHFVJFDYWQSALD-IRXDYDNUSA-N 2 2 326.444 3.047 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337547 454880391 /nfs/dbraw/zinc/88/03/91/454880391.db2.gz DXYICPSWXBTLDY-GGPKGHCWSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337547 454880394 /nfs/dbraw/zinc/88/03/94/454880394.db2.gz DXYICPSWXBTLDY-GGPKGHCWSA-N 2 2 340.515 3.334 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000164408139 454881209 /nfs/dbraw/zinc/88/12/09/454881209.db2.gz FAQINLYVHQFHGH-SFHVURJKSA-N 2 2 348.535 3.397 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777701 454890803 /nfs/dbraw/zinc/89/08/03/454890803.db2.gz VFTUFGKBESOFRM-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777701 454890808 /nfs/dbraw/zinc/89/08/08/454890808.db2.gz VFTUFGKBESOFRM-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000165295726 454897842 /nfs/dbraw/zinc/89/78/42/454897842.db2.gz SJAGLPAOXLZZBI-SFHVURJKSA-N 3 2 347.522 3.154 20 0 EGADLP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177794736 454905987 /nfs/dbraw/zinc/90/59/87/454905987.db2.gz IAMFMMLEHRGWMO-WMZOPIPTSA-N 2 2 346.434 3.328 20 0 EGADLP COCc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000126997298 454931060 /nfs/dbraw/zinc/93/10/60/454931060.db2.gz LVIQUQZGPBPZMC-GOSISDBHSA-N 2 2 328.456 3.080 20 0 EGADLP COCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000126997298 454931062 /nfs/dbraw/zinc/93/10/62/454931062.db2.gz LVIQUQZGPBPZMC-GOSISDBHSA-N 2 2 328.456 3.080 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@@H+]1C1CC1 ZINC000151064639 454932477 /nfs/dbraw/zinc/93/24/77/454932477.db2.gz OVSLOLIUGKJHSY-LPHOPBHVSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@H+]1C1CC1 ZINC000151064639 454932480 /nfs/dbraw/zinc/93/24/80/454932480.db2.gz OVSLOLIUGKJHSY-LPHOPBHVSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@@H+]1C1CC1 ZINC000151064602 454932507 /nfs/dbraw/zinc/93/25/07/454932507.db2.gz OVSLOLIUGKJHSY-APWZRJJASA-N 2 2 337.467 3.375 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@H+]1C1CC1 ZINC000151064602 454932509 /nfs/dbraw/zinc/93/25/09/454932509.db2.gz OVSLOLIUGKJHSY-APWZRJJASA-N 2 2 337.467 3.375 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151108934 454938850 /nfs/dbraw/zinc/93/88/50/454938850.db2.gz FRBDJBYMNCKNQC-MRXNPFEDSA-N 2 2 343.475 3.498 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H](C)C2CCOCC2)[NH+]2CCCC2)c1 ZINC000154874074 454938890 /nfs/dbraw/zinc/93/88/90/454938890.db2.gz BBDGRZUXAUQVQW-UZLBHIALSA-N 2 2 332.488 3.237 20 0 EGADLP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000178719000 454969312 /nfs/dbraw/zinc/96/93/12/454969312.db2.gz HJIPBTQGGUYCQY-HOTGVXAUSA-N 2 2 338.455 3.342 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3)s2)CC1 ZINC000155498068 455008207 /nfs/dbraw/zinc/00/82/07/455008207.db2.gz NSIVPQRHGJXQFK-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3)s2)CC1 ZINC000155498068 455008209 /nfs/dbraw/zinc/00/82/09/455008209.db2.gz NSIVPQRHGJXQFK-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000115549450 455019772 /nfs/dbraw/zinc/01/97/72/455019772.db2.gz JZRXCQXSIPHMGX-UHFFFAOYSA-N 2 2 348.531 3.142 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000115549450 455019776 /nfs/dbraw/zinc/01/97/76/455019776.db2.gz JZRXCQXSIPHMGX-UHFFFAOYSA-N 2 2 348.531 3.142 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCc2sccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000151795857 455031689 /nfs/dbraw/zinc/03/16/89/455031689.db2.gz RQDMMICDYKBDRN-IEBWSBKVSA-N 2 2 342.508 3.134 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc(Cl)c1OC ZINC000179630879 455062939 /nfs/dbraw/zinc/06/29/39/455062939.db2.gz INYAXWUUTRQBRR-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc(Cl)c1OC ZINC000179630879 455062942 /nfs/dbraw/zinc/06/29/42/455062942.db2.gz INYAXWUUTRQBRR-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CCOCC1)c1cccc(OC)c1 ZINC000119062943 455123432 /nfs/dbraw/zinc/12/34/32/455123432.db2.gz APPVXHPUPVHJTR-OXQOHEQNSA-N 2 2 334.504 3.483 20 0 EGADLP C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1[nH+]ccn1C ZINC000180157368 455141342 /nfs/dbraw/zinc/14/13/42/455141342.db2.gz UKCGESKIBVQDTF-MRXNPFEDSA-N 2 2 339.487 3.125 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000156660457 455141885 /nfs/dbraw/zinc/14/18/85/455141885.db2.gz AXPXDCSKFOFVCN-IHPCNDPISA-N 2 2 332.488 3.237 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000157328594 455185202 /nfs/dbraw/zinc/18/52/02/455185202.db2.gz RJJRQMKKLLXOKP-JXFKEZNVSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000157328594 455185207 /nfs/dbraw/zinc/18/52/07/455185207.db2.gz RJJRQMKKLLXOKP-JXFKEZNVSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000237521300 455191417 /nfs/dbraw/zinc/19/14/17/455191417.db2.gz XXIMBDDKNWTHSF-OLZOCXBDSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000237521300 455191421 /nfs/dbraw/zinc/19/14/21/455191421.db2.gz XXIMBDDKNWTHSF-OLZOCXBDSA-N 2 2 343.393 3.106 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccsc1 ZINC000264418126 455209369 /nfs/dbraw/zinc/20/93/69/455209369.db2.gz QKVVWBDYGXMMOA-CABCVRRESA-N 2 2 347.488 3.011 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158192187 455278732 /nfs/dbraw/zinc/27/87/32/455278732.db2.gz QFWNDZVXRRUNDP-DZGCQCFKSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158192187 455278733 /nfs/dbraw/zinc/27/87/33/455278733.db2.gz QFWNDZVXRRUNDP-DZGCQCFKSA-N 2 2 347.894 3.222 20 0 EGADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245431854 455297061 /nfs/dbraw/zinc/29/70/61/455297061.db2.gz AYPKUSAXFGLDQD-HOTGVXAUSA-N 2 2 341.459 3.000 20 0 EGADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245431854 455297065 /nfs/dbraw/zinc/29/70/65/455297065.db2.gz AYPKUSAXFGLDQD-HOTGVXAUSA-N 2 2 341.459 3.000 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000245464667 455308418 /nfs/dbraw/zinc/30/84/18/455308418.db2.gz YAESQAMASYPUNV-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000245464667 455308420 /nfs/dbraw/zinc/30/84/20/455308420.db2.gz YAESQAMASYPUNV-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000181432347 455333951 /nfs/dbraw/zinc/33/39/51/455333951.db2.gz JUIVSXJHNJUXHI-ZDUSSCGKSA-N 2 2 334.489 3.188 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000181460792 455337431 /nfs/dbraw/zinc/33/74/31/455337431.db2.gz DOELSTORECFCMW-ROUUACIJSA-N 2 2 327.472 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158931431 455338256 /nfs/dbraw/zinc/33/82/56/455338256.db2.gz VJWDIERLHUGJEG-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158931431 455338264 /nfs/dbraw/zinc/33/82/64/455338264.db2.gz VJWDIERLHUGJEG-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158931431 455338267 /nfs/dbraw/zinc/33/82/67/455338267.db2.gz VJWDIERLHUGJEG-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000158931431 455338272 /nfs/dbraw/zinc/33/82/72/455338272.db2.gz VJWDIERLHUGJEG-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225331 455452667 /nfs/dbraw/zinc/45/26/67/455452667.db2.gz RKSSTCSTLVVZGA-GJZGRUSLSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225331 455452673 /nfs/dbraw/zinc/45/26/73/455452673.db2.gz RKSSTCSTLVVZGA-GJZGRUSLSA-N 2 2 335.879 3.085 20 0 EGADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccccc1Cl ZINC000266788817 455453201 /nfs/dbraw/zinc/45/32/01/455453201.db2.gz WSGIWUPZKABKBL-MRXNPFEDSA-N 2 2 344.846 3.048 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246270101 455461690 /nfs/dbraw/zinc/46/16/90/455461690.db2.gz ATYORBOREPPYPM-GUDVDZBRSA-N 2 2 349.563 3.410 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246270101 455461694 /nfs/dbraw/zinc/46/16/94/455461694.db2.gz ATYORBOREPPYPM-GUDVDZBRSA-N 2 2 349.563 3.410 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246270101 455461697 /nfs/dbraw/zinc/46/16/97/455461697.db2.gz ATYORBOREPPYPM-GUDVDZBRSA-N 2 2 349.563 3.410 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246270101 455461701 /nfs/dbraw/zinc/46/17/01/455461701.db2.gz ATYORBOREPPYPM-GUDVDZBRSA-N 2 2 349.563 3.410 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444255 455491359 /nfs/dbraw/zinc/49/13/59/455491359.db2.gz DKBQVVPQAYLGOM-ICSRJNTNSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444255 455491363 /nfs/dbraw/zinc/49/13/63/455491363.db2.gz DKBQVVPQAYLGOM-ICSRJNTNSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444255 455491369 /nfs/dbraw/zinc/49/13/69/455491369.db2.gz DKBQVVPQAYLGOM-ICSRJNTNSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444255 455491375 /nfs/dbraw/zinc/49/13/75/455491375.db2.gz DKBQVVPQAYLGOM-ICSRJNTNSA-N 2 2 347.547 3.022 20 0 EGADLP CCCCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464087 455494504 /nfs/dbraw/zinc/49/45/04/455494504.db2.gz GHMFECYRQYQQIQ-AZUAARDMSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464087 455494507 /nfs/dbraw/zinc/49/45/07/455494507.db2.gz GHMFECYRQYQQIQ-AZUAARDMSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464087 455494508 /nfs/dbraw/zinc/49/45/08/455494508.db2.gz GHMFECYRQYQQIQ-AZUAARDMSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464087 455494511 /nfs/dbraw/zinc/49/45/11/455494511.db2.gz GHMFECYRQYQQIQ-AZUAARDMSA-N 2 2 345.531 3.278 20 0 EGADLP Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191562972 455496902 /nfs/dbraw/zinc/49/69/02/455496902.db2.gz LZQWKTDNUYMSAX-XLIONFOSSA-N 2 2 335.451 3.435 20 0 EGADLP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000185201265 455520288 /nfs/dbraw/zinc/52/02/88/455520288.db2.gz MPUFPDZKQQCZEL-OALUTQOASA-N 2 2 331.504 3.228 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000246945171 455537547 /nfs/dbraw/zinc/53/75/47/455537547.db2.gz UIPJHBKQSHEGKZ-YOEHRIQHSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000246945171 455537550 /nfs/dbraw/zinc/53/75/50/455537550.db2.gz UIPJHBKQSHEGKZ-YOEHRIQHSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000246945171 455537552 /nfs/dbraw/zinc/53/75/52/455537552.db2.gz UIPJHBKQSHEGKZ-YOEHRIQHSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000246945171 455537556 /nfs/dbraw/zinc/53/75/56/455537556.db2.gz UIPJHBKQSHEGKZ-YOEHRIQHSA-N 2 2 348.512 3.292 20 0 EGADLP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000247190783 455571453 /nfs/dbraw/zinc/57/14/53/455571453.db2.gz UKNNEVFVPUZMBM-AZUAARDMSA-N 2 2 345.531 3.479 20 0 EGADLP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000247190783 455571456 /nfs/dbraw/zinc/57/14/56/455571456.db2.gz UKNNEVFVPUZMBM-AZUAARDMSA-N 2 2 345.531 3.479 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(=O)OC)c2cccnc2)CC1 ZINC000182731402 455578192 /nfs/dbraw/zinc/57/81/92/455578192.db2.gz SHSDDRQGEWUVCR-LJQANCHMSA-N 2 2 347.503 3.130 20 0 EGADLP Clc1ncccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357480 455595953 /nfs/dbraw/zinc/59/59/53/455595953.db2.gz KJUWQRFEPLIBMI-GOSISDBHSA-N 2 2 345.874 3.116 20 0 EGADLP Clc1ncccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357480 455595960 /nfs/dbraw/zinc/59/59/60/455595960.db2.gz KJUWQRFEPLIBMI-GOSISDBHSA-N 2 2 345.874 3.116 20 0 EGADLP CCc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355083 455595984 /nfs/dbraw/zinc/59/59/84/455595984.db2.gz IZIYYPLPLRCGLI-HXUWFJFHSA-N 2 2 328.456 3.223 20 0 EGADLP CCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355083 455595990 /nfs/dbraw/zinc/59/59/90/455595990.db2.gz IZIYYPLPLRCGLI-HXUWFJFHSA-N 2 2 328.456 3.223 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000192437484 455615202 /nfs/dbraw/zinc/61/52/02/455615202.db2.gz IMXDCSZRJSDTQF-CTWPCTMYSA-N 2 2 332.488 3.391 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)c3ccncc3)c2cc1C ZINC000271386936 455618747 /nfs/dbraw/zinc/61/87/47/455618747.db2.gz LCBXSGIBSCRUET-AEFFLSMTSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)c3ccncc3)c2cc1C ZINC000271386936 455618749 /nfs/dbraw/zinc/61/87/49/455618749.db2.gz LCBXSGIBSCRUET-AEFFLSMTSA-N 2 2 338.455 3.102 20 0 EGADLP CC[N@@H+](Cc1nnc(C(C)C)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000292343994 455635425 /nfs/dbraw/zinc/63/54/25/455635425.db2.gz DCGTZUCQWXMUIK-UHFFFAOYSA-N 2 2 342.491 3.062 20 0 EGADLP CC[N@H+](Cc1nnc(C(C)C)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000292343994 455635430 /nfs/dbraw/zinc/63/54/30/455635430.db2.gz DCGTZUCQWXMUIK-UHFFFAOYSA-N 2 2 342.491 3.062 20 0 EGADLP FCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284172450 455645782 /nfs/dbraw/zinc/64/57/82/455645782.db2.gz QUONTWKRSNHYLB-IBGZPJMESA-N 2 2 348.510 3.055 20 0 EGADLP FCCCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284172450 455645785 /nfs/dbraw/zinc/64/57/85/455645785.db2.gz QUONTWKRSNHYLB-IBGZPJMESA-N 2 2 348.510 3.055 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2)CC1 ZINC000284347522 455671717 /nfs/dbraw/zinc/67/17/17/455671717.db2.gz JWGILYUDQLOVKD-AATRIKPKSA-N 2 2 338.455 3.336 20 0 EGADLP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248065354 455677916 /nfs/dbraw/zinc/67/79/16/455677916.db2.gz ZJCXEOVLTJJFOR-YLJYHZDGSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248065354 455677920 /nfs/dbraw/zinc/67/79/20/455677920.db2.gz ZJCXEOVLTJJFOR-YLJYHZDGSA-N 2 2 339.483 3.133 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(F)cccc2N2CCCC2)CCCO1 ZINC000277825949 455678311 /nfs/dbraw/zinc/67/83/11/455678311.db2.gz LGCQUQKQNQCYRU-KRWDZBQOSA-N 2 2 349.494 3.016 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(F)cccc2N2CCCC2)CCCO1 ZINC000277825949 455678314 /nfs/dbraw/zinc/67/83/14/455678314.db2.gz LGCQUQKQNQCYRU-KRWDZBQOSA-N 2 2 349.494 3.016 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248397291 455712815 /nfs/dbraw/zinc/71/28/15/455712815.db2.gz HUJGNBVRPITSPP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248397291 455712822 /nfs/dbraw/zinc/71/28/22/455712822.db2.gz HUJGNBVRPITSPP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248397291 455712829 /nfs/dbraw/zinc/71/28/29/455712829.db2.gz HUJGNBVRPITSPP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248397291 455712836 /nfs/dbraw/zinc/71/28/36/455712836.db2.gz HUJGNBVRPITSPP-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268911003 455727275 /nfs/dbraw/zinc/72/72/75/455727275.db2.gz MUZSRPRATWWUPH-YOEHRIQHSA-N 2 2 344.528 3.015 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268911003 455727281 /nfs/dbraw/zinc/72/72/81/455727281.db2.gz MUZSRPRATWWUPH-YOEHRIQHSA-N 2 2 344.528 3.015 20 0 EGADLP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000186278639 455731872 /nfs/dbraw/zinc/73/18/72/455731872.db2.gz LKAVSWDKWNONSC-KRWDZBQOSA-N 2 2 332.488 3.066 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000268993597 455756320 /nfs/dbraw/zinc/75/63/20/455756320.db2.gz NAOYRNMXZAWKSD-BVSLBCMMSA-N 2 2 336.479 3.147 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000268993597 455756323 /nfs/dbraw/zinc/75/63/23/455756323.db2.gz NAOYRNMXZAWKSD-BVSLBCMMSA-N 2 2 336.479 3.147 20 0 EGADLP C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271788073 455759497 /nfs/dbraw/zinc/75/94/97/455759497.db2.gz WJJOCPVHIWZUEI-YJBOKZPZSA-N 2 2 327.428 3.209 20 0 EGADLP Cn1nc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000186478078 455776848 /nfs/dbraw/zinc/77/68/48/455776848.db2.gz NHKBIIJBCHKPIL-IBGZPJMESA-N 2 2 348.494 3.370 20 0 EGADLP Cn1nc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000186478078 455776854 /nfs/dbraw/zinc/77/68/54/455776854.db2.gz NHKBIIJBCHKPIL-IBGZPJMESA-N 2 2 348.494 3.370 20 0 EGADLP OCC[C@H]([NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000186521443 455785971 /nfs/dbraw/zinc/78/59/71/455785971.db2.gz ZCBHXYWMGPPFCP-ZRNYENFQSA-N 2 2 340.467 3.203 20 0 EGADLP OCC[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000186521443 455785979 /nfs/dbraw/zinc/78/59/79/455785979.db2.gz ZCBHXYWMGPPFCP-ZRNYENFQSA-N 2 2 340.467 3.203 20 0 EGADLP C[N@H+]1CC=C(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000271866023 455792580 /nfs/dbraw/zinc/79/25/80/455792580.db2.gz WBSPUJCXBFKJTN-UHFFFAOYSA-N 2 2 329.469 3.074 20 0 EGADLP C[N@@H+]1CC=C(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000271866023 455792581 /nfs/dbraw/zinc/79/25/81/455792581.db2.gz WBSPUJCXBFKJTN-UHFFFAOYSA-N 2 2 329.469 3.074 20 0 EGADLP CCc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)o1 ZINC000269162125 455800987 /nfs/dbraw/zinc/80/09/87/455800987.db2.gz UZZHUXRNQZDAHN-UHFFFAOYSA-N 2 2 328.460 3.380 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCCC[C@H]1C ZINC000252644168 455825143 /nfs/dbraw/zinc/82/51/43/455825143.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCCC[C@H]1C ZINC000252644168 455825149 /nfs/dbraw/zinc/82/51/49/455825149.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252644168 455825160 /nfs/dbraw/zinc/82/51/60/455825160.db2.gz NMLUFYRJVKJCHT-SBHAEUEKSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000252644167 455825390 /nfs/dbraw/zinc/82/53/90/455825390.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000252644167 455825396 /nfs/dbraw/zinc/82/53/96/455825396.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000252644167 455825404 /nfs/dbraw/zinc/82/54/04/455825404.db2.gz NMLUFYRJVKJCHT-DYXWJJEUSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@H](CC[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533555 455855725 /nfs/dbraw/zinc/85/57/25/455855725.db2.gz WIMWUEDURYSITL-QIJUGHKUSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](CC[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000194533555 455855729 /nfs/dbraw/zinc/85/57/29/455855729.db2.gz WIMWUEDURYSITL-QIJUGHKUSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1Cl ZINC000285511212 455861044 /nfs/dbraw/zinc/86/10/44/455861044.db2.gz NMWMFTJSPOQRNZ-LSVZVQIISA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1Cl ZINC000285511212 455861047 /nfs/dbraw/zinc/86/10/47/455861047.db2.gz NMWMFTJSPOQRNZ-LSVZVQIISA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC000285511212 455861053 /nfs/dbraw/zinc/86/10/53/455861053.db2.gz NMWMFTJSPOQRNZ-LSVZVQIISA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000285511212 455861055 /nfs/dbraw/zinc/86/10/55/455861055.db2.gz NMWMFTJSPOQRNZ-LSVZVQIISA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCSCC1 ZINC000186997830 455861538 /nfs/dbraw/zinc/86/15/38/455861538.db2.gz VZWLSSRALWHRDU-HNNXBMFYSA-N 2 2 328.591 3.469 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000280164016 455906726 /nfs/dbraw/zinc/90/67/26/455906726.db2.gz FJPQJSZMXBHDJE-UHFFFAOYSA-N 2 2 329.444 3.323 20 0 EGADLP CC(C)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000194981035 455910147 /nfs/dbraw/zinc/91/01/47/455910147.db2.gz APOQGCQNDODMIW-MOPGFXCFSA-N 2 2 341.503 3.240 20 0 EGADLP Cc1ccc2[nH+]c(CSCc3nc(C4([NH3+])CCCC4)no3)cn2c1 ZINC000261731278 455936925 /nfs/dbraw/zinc/93/69/25/455936925.db2.gz KGECRUYADQUYNK-UHFFFAOYSA-N 2 2 343.456 3.187 20 0 EGADLP Nc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000261747979 455938784 /nfs/dbraw/zinc/93/87/84/455938784.db2.gz JKJDGZIKAWSZDS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000261747979 455938788 /nfs/dbraw/zinc/93/87/88/455938788.db2.gz JKJDGZIKAWSZDS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000261747979 455938793 /nfs/dbraw/zinc/93/87/93/455938793.db2.gz JKJDGZIKAWSZDS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000261747979 455938797 /nfs/dbraw/zinc/93/87/97/455938797.db2.gz JKJDGZIKAWSZDS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000261747982 455939766 /nfs/dbraw/zinc/93/97/66/455939766.db2.gz JKJDGZIKAWSZDS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)s1 ZINC000261747982 455939772 /nfs/dbraw/zinc/93/97/72/455939772.db2.gz JKJDGZIKAWSZDS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000261747982 455939779 /nfs/dbraw/zinc/93/97/79/455939779.db2.gz JKJDGZIKAWSZDS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000261747982 455939784 /nfs/dbraw/zinc/93/97/84/455939784.db2.gz JKJDGZIKAWSZDS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(Br)n2)CC1 ZINC000272421740 455944884 /nfs/dbraw/zinc/94/48/84/455944884.db2.gz NUSBPQQTELRCSX-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(Br)n2)CC1 ZINC000272421740 455944889 /nfs/dbraw/zinc/94/48/89/455944889.db2.gz NUSBPQQTELRCSX-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000272441591 455952842 /nfs/dbraw/zinc/95/28/42/455952842.db2.gz TXNLYLRPDIEPGE-OCCSQVGLSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000272441591 455952844 /nfs/dbraw/zinc/95/28/44/455952844.db2.gz TXNLYLRPDIEPGE-OCCSQVGLSA-N 2 2 335.249 3.124 20 0 EGADLP CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000296514263 455960084 /nfs/dbraw/zinc/96/00/84/455960084.db2.gz PPLQIBAVMSWTSN-YJBOKZPZSA-N 2 2 328.460 3.026 20 0 EGADLP Oc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272499979 455971620 /nfs/dbraw/zinc/97/16/20/455971620.db2.gz DOAXFLKAWIZERC-HNNXBMFYSA-N 2 2 328.378 3.386 20 0 EGADLP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000195516294 455977504 /nfs/dbraw/zinc/97/75/04/455977504.db2.gz AXJQOQOZABBCFT-GJZGRUSLSA-N 2 2 329.448 3.391 20 0 EGADLP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000195516294 455977515 /nfs/dbraw/zinc/97/75/15/455977515.db2.gz AXJQOQOZABBCFT-GJZGRUSLSA-N 2 2 329.448 3.391 20 0 EGADLP Fc1ccc([C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090649 455994032 /nfs/dbraw/zinc/99/40/32/455994032.db2.gz YRMRBPCWBYFMBX-MOPGFXCFSA-N 2 2 342.462 3.492 20 0 EGADLP Fc1ccc([C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090649 455994037 /nfs/dbraw/zinc/99/40/37/455994037.db2.gz YRMRBPCWBYFMBX-MOPGFXCFSA-N 2 2 342.462 3.492 20 0 EGADLP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262082618 455994486 /nfs/dbraw/zinc/99/44/86/455994486.db2.gz TZGYRSHXOZCRRH-OXJNMPFZSA-N 2 2 332.451 3.318 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262082618 455994490 /nfs/dbraw/zinc/99/44/90/455994490.db2.gz TZGYRSHXOZCRRH-OXJNMPFZSA-N 2 2 332.451 3.318 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000270632045 456000892 /nfs/dbraw/zinc/00/08/92/456000892.db2.gz GZVKCPXLPFROMD-UHFFFAOYSA-N 2 2 332.879 3.053 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000270632045 456000898 /nfs/dbraw/zinc/00/08/98/456000898.db2.gz GZVKCPXLPFROMD-UHFFFAOYSA-N 2 2 332.879 3.053 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000270664912 456009420 /nfs/dbraw/zinc/00/94/20/456009420.db2.gz UXRJYWSOMNWYLL-UHFFFAOYSA-N 2 2 332.879 3.333 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272676139 456035698 /nfs/dbraw/zinc/03/56/98/456035698.db2.gz UOZGYQGPHGVZGY-OXJNMPFZSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272676139 456035700 /nfs/dbraw/zinc/03/57/00/456035700.db2.gz UOZGYQGPHGVZGY-OXJNMPFZSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272676139 456035702 /nfs/dbraw/zinc/03/57/02/456035702.db2.gz UOZGYQGPHGVZGY-OXJNMPFZSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272676139 456035704 /nfs/dbraw/zinc/03/57/04/456035704.db2.gz UOZGYQGPHGVZGY-OXJNMPFZSA-N 2 2 342.462 3.154 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722911 456052563 /nfs/dbraw/zinc/05/25/63/456052563.db2.gz FVBXCMVKMRURME-PBHICJAKSA-N 2 2 327.875 3.012 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722911 456052568 /nfs/dbraw/zinc/05/25/68/456052568.db2.gz FVBXCMVKMRURME-PBHICJAKSA-N 2 2 327.875 3.012 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900419 456063198 /nfs/dbraw/zinc/06/31/98/456063198.db2.gz QYTJTNFABQDPJZ-SFTDATJTSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900419 456063203 /nfs/dbraw/zinc/06/32/03/456063203.db2.gz QYTJTNFABQDPJZ-SFTDATJTSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000270900419 456063207 /nfs/dbraw/zinc/06/32/07/456063207.db2.gz QYTJTNFABQDPJZ-SFTDATJTSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000270900419 456063209 /nfs/dbraw/zinc/06/32/09/456063209.db2.gz QYTJTNFABQDPJZ-SFTDATJTSA-N 3 2 338.499 3.178 20 0 EGADLP Fc1cc(F)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(F)c1F ZINC000281101048 456133764 /nfs/dbraw/zinc/13/37/64/456133764.db2.gz KYAXSTYXMUVXGE-UHFFFAOYSA-N 2 2 339.336 3.397 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271133953 456136464 /nfs/dbraw/zinc/13/64/64/456136464.db2.gz NWPUABXUHJKVLG-VQIMIIECSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271133953 456136471 /nfs/dbraw/zinc/13/64/71/456136471.db2.gz NWPUABXUHJKVLG-VQIMIIECSA-N 2 2 338.455 3.422 20 0 EGADLP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)cc(OC)c1 ZINC000301594972 456156119 /nfs/dbraw/zinc/15/61/19/456156119.db2.gz YQZRLEDQLXRJID-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCN(c3cc[nH+]c(C4CC4)n3)CC2)C[C@H](C)O1 ZINC000301595906 456156176 /nfs/dbraw/zinc/15/61/76/456156176.db2.gz ZCOGWCYQUCSRTO-IYBDPMFKSA-N 2 2 344.503 3.070 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCN(c3cc[nH+]c(C4CC4)n3)CC2)C[C@H](C)O1 ZINC000301595906 456156181 /nfs/dbraw/zinc/15/61/81/456156181.db2.gz ZCOGWCYQUCSRTO-IYBDPMFKSA-N 2 2 344.503 3.070 20 0 EGADLP c1coc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCCC2)c1 ZINC000236667275 456165623 /nfs/dbraw/zinc/16/56/23/456165623.db2.gz IQLPSVOTKFSQLT-LJQANCHMSA-N 2 2 336.439 3.392 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C[NH3+])o1)c1ccccc1Cl ZINC000236838228 456189561 /nfs/dbraw/zinc/18/95/61/456189561.db2.gz RFWPWPCMMMIIKX-INIZCTEOSA-N 2 2 349.862 3.205 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297340858 456191495 /nfs/dbraw/zinc/19/14/95/456191495.db2.gz ONIXYIMIBRWEBL-INIZCTEOSA-N 2 2 341.846 3.426 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306744 456196821 /nfs/dbraw/zinc/19/68/21/456196821.db2.gz NEWZLPZHRDQOIF-HZPDHXFCSA-N 2 2 332.492 3.159 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306744 456196826 /nfs/dbraw/zinc/19/68/26/456196826.db2.gz NEWZLPZHRDQOIF-HZPDHXFCSA-N 2 2 332.492 3.159 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCNc1cccc[nH+]1)NC(=O)OC(C)(C)C ZINC000271292502 456208767 /nfs/dbraw/zinc/20/87/67/456208767.db2.gz SCBUSGMRHTUUMP-GJZGRUSLSA-N 2 2 336.480 3.165 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302014653 456269434 /nfs/dbraw/zinc/26/94/34/456269434.db2.gz LFAZKAHLAWPMMJ-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302014653 456269437 /nfs/dbraw/zinc/26/94/37/456269437.db2.gz LFAZKAHLAWPMMJ-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290260048 456276359 /nfs/dbraw/zinc/27/63/59/456276359.db2.gz XKDMGXHIFZMBGA-QZTJIDSGSA-N 2 2 325.412 3.447 20 0 EGADLP CC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(C)c1 ZINC000352759222 456281269 /nfs/dbraw/zinc/28/12/69/456281269.db2.gz JJXQQTUDRLKKAF-OAHLLOKOSA-N 2 2 333.501 3.460 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2ccc3occc3c2)[N@H+](Cc2ccccc2)C1 ZINC000352758758 456281439 /nfs/dbraw/zinc/28/14/39/456281439.db2.gz IDPOCOUOHPGEKW-WOJBJXKFSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2ccc3occc3c2)[N@@H+](Cc2ccccc2)C1 ZINC000352758758 456281446 /nfs/dbraw/zinc/28/14/46/456281446.db2.gz IDPOCOUOHPGEKW-WOJBJXKFSA-N 2 2 336.435 3.158 20 0 EGADLP CSc1ccc(F)cc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352760712 456281889 /nfs/dbraw/zinc/28/18/89/456281889.db2.gz RLVCDKNUKKZTMV-UHFFFAOYSA-N 2 2 325.478 3.356 20 0 EGADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1Cl ZINC000290320915 456290242 /nfs/dbraw/zinc/29/02/42/456290242.db2.gz OHBKDELPNYCPPS-CQSZACIVSA-N 2 2 348.878 3.311 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176367 456292870 /nfs/dbraw/zinc/29/28/70/456292870.db2.gz WSPWPFAGQZZYLI-UYAOXDASSA-N 3 2 338.499 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176367 456292875 /nfs/dbraw/zinc/29/28/75/456292875.db2.gz WSPWPFAGQZZYLI-UYAOXDASSA-N 3 2 338.499 3.187 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1nc2c(cccc2F)n1C ZINC000290359278 456304694 /nfs/dbraw/zinc/30/46/94/456304694.db2.gz MQDUEBPGQCVANM-UHFFFAOYSA-N 2 2 326.419 3.181 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000290384559 456311705 /nfs/dbraw/zinc/31/17/05/456311705.db2.gz IWZJSELIYZUMGM-MRXNPFEDSA-N 2 2 346.438 3.281 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000290384559 456311711 /nfs/dbraw/zinc/31/17/11/456311711.db2.gz IWZJSELIYZUMGM-MRXNPFEDSA-N 2 2 346.438 3.281 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)C[C@@H]1c1ccccc1 ZINC000340201615 456311834 /nfs/dbraw/zinc/31/18/34/456311834.db2.gz UVVHPXXMSNBTOD-DOTOQJQBSA-N 2 2 326.469 3.321 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)C[C@@H]1c1ccccc1 ZINC000340201615 456311840 /nfs/dbraw/zinc/31/18/40/456311840.db2.gz UVVHPXXMSNBTOD-DOTOQJQBSA-N 2 2 326.469 3.321 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)[C@@H](C)C1 ZINC000290387391 456312997 /nfs/dbraw/zinc/31/29/97/456312997.db2.gz OJRNVDCGRFCBRJ-ICSRJNTNSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)[C@@H](C)C1 ZINC000290387391 456313004 /nfs/dbraw/zinc/31/30/04/456313004.db2.gz OJRNVDCGRFCBRJ-ICSRJNTNSA-N 3 2 333.520 3.049 20 0 EGADLP CCc1nc(N[C@@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc(C)[nH+]1 ZINC000342932682 456321052 /nfs/dbraw/zinc/32/10/52/456321052.db2.gz NRLCSGKHMCKWHW-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000297904140 456321441 /nfs/dbraw/zinc/32/14/41/456321441.db2.gz RVEXVFPQMRTAKU-HNNXBMFYSA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000297904140 456321449 /nfs/dbraw/zinc/32/14/49/456321449.db2.gz RVEXVFPQMRTAKU-HNNXBMFYSA-N 2 2 344.528 3.499 20 0 EGADLP CC[N@H+](CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C(C)C ZINC000352811867 456330113 /nfs/dbraw/zinc/33/01/13/456330113.db2.gz WLVXUZPHTLOAKV-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C(C)C ZINC000352811867 456330116 /nfs/dbraw/zinc/33/01/16/456330116.db2.gz WLVXUZPHTLOAKV-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814497 456332037 /nfs/dbraw/zinc/33/20/37/456332037.db2.gz HAKFNVZCDMJDPB-JOCHJYFZSA-N 3 2 341.543 3.460 20 0 EGADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814497 456332041 /nfs/dbraw/zinc/33/20/41/456332041.db2.gz HAKFNVZCDMJDPB-JOCHJYFZSA-N 3 2 341.543 3.460 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814497 456332044 /nfs/dbraw/zinc/33/20/44/456332044.db2.gz HAKFNVZCDMJDPB-JOCHJYFZSA-N 3 2 341.543 3.460 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814497 456332047 /nfs/dbraw/zinc/33/20/47/456332047.db2.gz HAKFNVZCDMJDPB-JOCHJYFZSA-N 3 2 341.543 3.460 20 0 EGADLP Clc1cc2c(cc1C[NH+]1CCC(n3cc[nH+]c3)CC1)OCCO2 ZINC000290528410 456353930 /nfs/dbraw/zinc/35/39/30/456353930.db2.gz ZHUCNCSZJIMCHC-UHFFFAOYSA-N 2 2 333.819 3.145 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557606 456363943 /nfs/dbraw/zinc/36/39/43/456363943.db2.gz SDVNLMMVOPLOKB-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557606 456363950 /nfs/dbraw/zinc/36/39/50/456363950.db2.gz SDVNLMMVOPLOKB-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557606 456363957 /nfs/dbraw/zinc/36/39/57/456363957.db2.gz SDVNLMMVOPLOKB-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557606 456363963 /nfs/dbraw/zinc/36/39/63/456363963.db2.gz SDVNLMMVOPLOKB-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP CCOc1cc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)ccc1O ZINC000298165452 456378648 /nfs/dbraw/zinc/37/86/48/456378648.db2.gz SYBAZHDGJZBJLU-UHFFFAOYSA-N 2 2 344.455 3.480 20 0 EGADLP CCOc1cc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)ccc1O ZINC000298165452 456378654 /nfs/dbraw/zinc/37/86/54/456378654.db2.gz SYBAZHDGJZBJLU-UHFFFAOYSA-N 2 2 344.455 3.480 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000276126762 456393904 /nfs/dbraw/zinc/39/39/04/456393904.db2.gz AHERGYKWIATDID-LFUKPOHLSA-N 2 2 339.483 3.336 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000276126762 456393910 /nfs/dbraw/zinc/39/39/10/456393910.db2.gz AHERGYKWIATDID-LFUKPOHLSA-N 2 2 339.483 3.336 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298234615 456399610 /nfs/dbraw/zinc/39/96/10/456399610.db2.gz BQBLRUXGAJSIIK-UHFFFAOYSA-N 3 2 345.531 3.124 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302830350 456413215 /nfs/dbraw/zinc/41/32/15/456413215.db2.gz KJHXKOUEBDEBAH-MRXNPFEDSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302830350 456413219 /nfs/dbraw/zinc/41/32/19/456413219.db2.gz KJHXKOUEBDEBAH-MRXNPFEDSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000340375478 456422904 /nfs/dbraw/zinc/42/29/04/456422904.db2.gz IRLPXSVFYFMAOW-HNNXBMFYSA-N 2 2 340.427 3.432 20 0 EGADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000340375478 456422913 /nfs/dbraw/zinc/42/29/13/456422913.db2.gz IRLPXSVFYFMAOW-HNNXBMFYSA-N 2 2 340.427 3.432 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCCNc1cccc[nH+]1 ZINC000290780679 456427461 /nfs/dbraw/zinc/42/74/61/456427461.db2.gz TVKKELHFCFAGKF-HNNXBMFYSA-N 2 2 336.480 3.167 20 0 EGADLP COc1ccccc1[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)N(C)C ZINC000347956543 456428538 /nfs/dbraw/zinc/42/85/38/456428538.db2.gz JGZBCHWIJPIIKN-LJQANCHMSA-N 2 2 327.472 3.224 20 0 EGADLP CCc1nc(N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)cc(C)[nH+]1 ZINC000343240392 456476224 /nfs/dbraw/zinc/47/62/24/456476224.db2.gz WKJXIXDUPVLAFU-UHFFFAOYSA-N 2 2 333.439 3.404 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474006 456481058 /nfs/dbraw/zinc/48/10/58/456481058.db2.gz GBKNXHPAHUONBL-FUHWJXTLSA-N 2 2 327.447 3.436 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474006 456481061 /nfs/dbraw/zinc/48/10/61/456481061.db2.gz GBKNXHPAHUONBL-FUHWJXTLSA-N 2 2 327.447 3.436 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511047 456500839 /nfs/dbraw/zinc/50/08/39/456500839.db2.gz YGXXZQIGWLGUSD-FUHWJXTLSA-N 2 2 343.446 3.162 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)c1C ZINC000291130624 456539603 /nfs/dbraw/zinc/53/96/03/456539603.db2.gz DVNLSEMRZVCOJV-UHFFFAOYSA-N 2 2 338.455 3.302 20 0 EGADLP Cn1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c(C(F)F)n1 ZINC000291278671 456588440 /nfs/dbraw/zinc/58/84/40/456588440.db2.gz UNLFOAICXTVKAE-MRXNPFEDSA-N 2 2 334.414 3.284 20 0 EGADLP CCC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000299023223 456588800 /nfs/dbraw/zinc/58/88/00/456588800.db2.gz CHMLPHAHHKZFFA-FQEVSTJZSA-N 2 2 345.531 3.055 20 0 EGADLP CCC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000299023223 456588806 /nfs/dbraw/zinc/58/88/06/456588806.db2.gz CHMLPHAHHKZFFA-FQEVSTJZSA-N 2 2 345.531 3.055 20 0 EGADLP C[N@H+](CCO)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000353270434 456600538 /nfs/dbraw/zinc/60/05/38/456600538.db2.gz XUQUSCTUIOSCSA-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000353270434 456600543 /nfs/dbraw/zinc/60/05/43/456600543.db2.gz XUQUSCTUIOSCSA-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[C@@H]1[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000343442261 456625285 /nfs/dbraw/zinc/62/52/85/456625285.db2.gz MQRYIKMDUJDTJI-RDTXWAMCSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H]1[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000343442261 456625289 /nfs/dbraw/zinc/62/52/89/456625289.db2.gz MQRYIKMDUJDTJI-RDTXWAMCSA-N 2 2 325.412 3.086 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000353305019 456625752 /nfs/dbraw/zinc/62/57/52/456625752.db2.gz ADZGLENJDHSWTA-RHSMWYFYSA-N 2 2 338.492 3.045 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447509 456627964 /nfs/dbraw/zinc/62/79/64/456627964.db2.gz PHKPSHPWCGPOMJ-QAPCUYQASA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447509 456627970 /nfs/dbraw/zinc/62/79/70/456627970.db2.gz PHKPSHPWCGPOMJ-QAPCUYQASA-N 2 2 339.439 3.395 20 0 EGADLP C[C@H](c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276986905 456641440 /nfs/dbraw/zinc/64/14/40/456641440.db2.gz WUMUYXWGHDLGFJ-MGPQQGTHSA-N 2 2 338.415 3.251 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000276999873 456646727 /nfs/dbraw/zinc/64/67/27/456646727.db2.gz HTCOYPAGACAPFE-HNNXBMFYSA-N 2 2 341.455 3.332 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875173 456652261 /nfs/dbraw/zinc/65/22/61/456652261.db2.gz WCWGSKWTHGADAB-GOSISDBHSA-N 2 2 341.503 3.048 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875173 456652265 /nfs/dbraw/zinc/65/22/65/456652265.db2.gz WCWGSKWTHGADAB-GOSISDBHSA-N 2 2 341.503 3.048 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875173 456652267 /nfs/dbraw/zinc/65/22/67/456652267.db2.gz WCWGSKWTHGADAB-GOSISDBHSA-N 2 2 341.503 3.048 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875173 456652271 /nfs/dbraw/zinc/65/22/71/456652271.db2.gz WCWGSKWTHGADAB-GOSISDBHSA-N 2 2 341.503 3.048 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000353382080 456662232 /nfs/dbraw/zinc/66/22/32/456662232.db2.gz PETXEXGATOEXOK-MRXNPFEDSA-N 2 2 346.496 3.419 20 0 EGADLP Cc1ccc(CCC[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000353382080 456662238 /nfs/dbraw/zinc/66/22/38/456662238.db2.gz PETXEXGATOEXOK-MRXNPFEDSA-N 2 2 346.496 3.419 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c[nH+]1 ZINC000353436145 456698814 /nfs/dbraw/zinc/69/88/14/456698814.db2.gz HSLGULODDQKEQW-UHFFFAOYSA-N 2 2 343.515 3.293 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000299476304 456704522 /nfs/dbraw/zinc/70/45/22/456704522.db2.gz XJYGSYVDFQMHLZ-INIZCTEOSA-N 2 2 344.503 3.225 20 0 EGADLP CC1CC[NH+](CCN2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000340824463 456704708 /nfs/dbraw/zinc/70/47/08/456704708.db2.gz QPRCKBQXCZSKCD-UHFFFAOYSA-N 2 2 335.923 3.190 20 0 EGADLP COc1sc(C[N@H+](C)CCC[NH+]2CCCC2)cc1Br ZINC000343608049 456740460 /nfs/dbraw/zinc/74/04/60/456740460.db2.gz SUQRWYCJSSDELA-UHFFFAOYSA-N 2 2 347.322 3.437 20 0 EGADLP COc1sc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1Br ZINC000343608049 456740465 /nfs/dbraw/zinc/74/04/65/456740465.db2.gz SUQRWYCJSSDELA-UHFFFAOYSA-N 2 2 347.322 3.437 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000338279184 456744499 /nfs/dbraw/zinc/74/44/99/456744499.db2.gz IWOKZBPYASQIEY-UHFFFAOYSA-N 2 2 346.544 3.146 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000283501589 456792652 /nfs/dbraw/zinc/79/26/52/456792652.db2.gz OWWXLLNKFRNWPS-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000283501589 456792658 /nfs/dbraw/zinc/79/26/58/456792658.db2.gz OWWXLLNKFRNWPS-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283509231 456793521 /nfs/dbraw/zinc/79/35/21/456793521.db2.gz ZIGXOQPKGJFECY-QPAVJXABSA-N 2 2 342.483 3.383 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000283509231 456793528 /nfs/dbraw/zinc/79/35/28/456793528.db2.gz ZIGXOQPKGJFECY-QPAVJXABSA-N 2 2 342.483 3.383 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277424064 456819964 /nfs/dbraw/zinc/81/99/64/456819964.db2.gz LKKUZYPIIBLXEC-UHFFFAOYSA-N 2 2 345.878 3.061 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277424064 456819966 /nfs/dbraw/zinc/81/99/66/456819966.db2.gz LKKUZYPIIBLXEC-UHFFFAOYSA-N 2 2 345.878 3.061 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000277424064 456819969 /nfs/dbraw/zinc/81/99/69/456819969.db2.gz LKKUZYPIIBLXEC-UHFFFAOYSA-N 2 2 345.878 3.061 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000277424064 456819973 /nfs/dbraw/zinc/81/99/73/456819973.db2.gz LKKUZYPIIBLXEC-UHFFFAOYSA-N 2 2 345.878 3.061 20 0 EGADLP Cc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc[nH+]1 ZINC000301231050 456827607 /nfs/dbraw/zinc/82/76/07/456827607.db2.gz HQMOFTVOMNONOH-IYBDPMFKSA-N 2 2 326.444 3.006 20 0 EGADLP Cc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc[nH+]1 ZINC000301231050 456827613 /nfs/dbraw/zinc/82/76/13/456827613.db2.gz HQMOFTVOMNONOH-IYBDPMFKSA-N 2 2 326.444 3.006 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCn3c(nnc3C3CCCC3)C2)c[nH+]1 ZINC000353651264 456830206 /nfs/dbraw/zinc/83/02/06/456830206.db2.gz CCUNCXXTCSOHJX-UHFFFAOYSA-N 2 2 325.460 3.088 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCn3c(nnc3C3CCCC3)C2)c[nH+]1 ZINC000353651264 456830211 /nfs/dbraw/zinc/83/02/11/456830211.db2.gz CCUNCXXTCSOHJX-UHFFFAOYSA-N 2 2 325.460 3.088 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655661 456834377 /nfs/dbraw/zinc/83/43/77/456834377.db2.gz YNODMUNVWFHFIQ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655661 456834381 /nfs/dbraw/zinc/83/43/81/456834381.db2.gz YNODMUNVWFHFIQ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655661 456834384 /nfs/dbraw/zinc/83/43/84/456834384.db2.gz YNODMUNVWFHFIQ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655661 456834387 /nfs/dbraw/zinc/83/43/87/456834387.db2.gz YNODMUNVWFHFIQ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189250 456880440 /nfs/dbraw/zinc/88/04/40/456880440.db2.gz RERYFJSWBLHRHX-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189250 456880442 /nfs/dbraw/zinc/88/04/42/456880442.db2.gz RERYFJSWBLHRHX-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189250 456880447 /nfs/dbraw/zinc/88/04/47/456880447.db2.gz RERYFJSWBLHRHX-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189250 456880451 /nfs/dbraw/zinc/88/04/51/456880451.db2.gz RERYFJSWBLHRHX-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766963 456897657 /nfs/dbraw/zinc/89/76/57/456897657.db2.gz JGXNQHHACWKZKG-HNAYVOBHSA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766963 456897662 /nfs/dbraw/zinc/89/76/62/456897662.db2.gz JGXNQHHACWKZKG-HNAYVOBHSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766963 456897665 /nfs/dbraw/zinc/89/76/65/456897665.db2.gz JGXNQHHACWKZKG-HNAYVOBHSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C ZINC000353766963 456897668 /nfs/dbraw/zinc/89/76/68/456897668.db2.gz JGXNQHHACWKZKG-HNAYVOBHSA-N 2 2 330.451 3.316 20 0 EGADLP CC(C)n1cc2c(n1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000345018208 456899230 /nfs/dbraw/zinc/89/92/30/456899230.db2.gz HWESRQUKVMIYSX-GOSISDBHSA-N 2 2 335.455 3.297 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349196868 456910367 /nfs/dbraw/zinc/91/03/67/456910367.db2.gz HIMSSXXZKCMZNW-KBPBESRZSA-N 2 2 326.400 3.364 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccon1)c1ccon1 ZINC000349196869 456910451 /nfs/dbraw/zinc/91/04/51/456910451.db2.gz HIMSSXXZKCMZNW-OKILXGFUSA-N 2 2 326.400 3.364 20 0 EGADLP c1ccc([C@H](C[NH+]2CCCC2)Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000341746903 456926170 /nfs/dbraw/zinc/92/61/70/456926170.db2.gz WFFSJGVNOMLYRV-SFHVURJKSA-N 2 2 337.471 3.326 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349388591 456961740 /nfs/dbraw/zinc/96/17/40/456961740.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 3 2 328.504 3.363 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349388591 456961743 /nfs/dbraw/zinc/96/17/43/456961743.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 3 2 328.504 3.363 20 0 EGADLP C[NH+](CCCn1cc[nH+]c1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000349388591 456961745 /nfs/dbraw/zinc/96/17/45/456961745.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 3 2 328.504 3.363 20 0 EGADLP C[NH+](CCCn1cc[nH+]c1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000349388591 456961748 /nfs/dbraw/zinc/96/17/48/456961748.db2.gz ZQBUUWLBPMOQJE-UHFFFAOYSA-N 3 2 328.504 3.363 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947347 456976147 /nfs/dbraw/zinc/97/61/47/456976147.db2.gz MGBCTGKURBKMFO-YMTOWFKASA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947347 456976149 /nfs/dbraw/zinc/97/61/49/456976149.db2.gz MGBCTGKURBKMFO-YMTOWFKASA-N 2 2 333.220 3.157 20 0 EGADLP CC[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+](CC)CC ZINC000341900921 456992554 /nfs/dbraw/zinc/99/25/54/456992554.db2.gz LQIMAPMBINTRRN-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](Cc4ccccc4C)CC3)n2c1 ZINC000349615711 456995726 /nfs/dbraw/zinc/99/57/26/456995726.db2.gz MFMLBVNAOIVPPW-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP COC[C@@H]1CCCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917178 457000323 /nfs/dbraw/zinc/00/03/23/457000323.db2.gz XNOGUMIMTRKHRY-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@@H]1CCCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917178 457000325 /nfs/dbraw/zinc/00/03/25/457000325.db2.gz XNOGUMIMTRKHRY-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@@H]1CCCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917178 457000330 /nfs/dbraw/zinc/00/03/30/457000330.db2.gz XNOGUMIMTRKHRY-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@@H]1CCCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917178 457000335 /nfs/dbraw/zinc/00/03/35/457000335.db2.gz XNOGUMIMTRKHRY-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000339224834 457000855 /nfs/dbraw/zinc/00/08/55/457000855.db2.gz DKIXUHYBVQNALH-HUUCEWRRSA-N 2 2 340.471 3.126 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477550 457045083 /nfs/dbraw/zinc/04/50/83/457045083.db2.gz DLHJLLLALVHSKB-MGPUTAFESA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477550 457045084 /nfs/dbraw/zinc/04/50/84/457045084.db2.gz DLHJLLLALVHSKB-MGPUTAFESA-N 2 2 325.431 3.384 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362729201 457066244 /nfs/dbraw/zinc/06/62/44/457066244.db2.gz XFMMVHLAOVEUJU-QGZVFWFLSA-N 2 2 337.423 3.184 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000362729201 457066251 /nfs/dbraw/zinc/06/62/51/457066251.db2.gz XFMMVHLAOVEUJU-QGZVFWFLSA-N 2 2 337.423 3.184 20 0 EGADLP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(C)c1OC ZINC000342026399 457066467 /nfs/dbraw/zinc/06/64/67/457066467.db2.gz ORQXMWZGOJHQIE-UHFFFAOYSA-N 2 2 329.444 3.389 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)[C@H](C)C1 ZINC000346595752 457067019 /nfs/dbraw/zinc/06/70/19/457067019.db2.gz DFYKUQVXVYKDNS-CHWSQXEVSA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)[C@H](C)C1 ZINC000346595752 457067022 /nfs/dbraw/zinc/06/70/22/457067022.db2.gz DFYKUQVXVYKDNS-CHWSQXEVSA-N 2 2 331.913 3.023 20 0 EGADLP CCc1cc(NCC[NH+](C(C)C)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000356591506 457072433 /nfs/dbraw/zinc/07/24/33/457072433.db2.gz WGOZLNCDJFQILF-UHFFFAOYSA-N 2 2 327.476 3.054 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129441 457082947 /nfs/dbraw/zinc/08/29/47/457082947.db2.gz CYGXQMNQAWUUGF-GJYPPUQNSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129441 457082954 /nfs/dbraw/zinc/08/29/54/457082954.db2.gz CYGXQMNQAWUUGF-GJYPPUQNSA-N 2 2 325.456 3.348 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)nn1CC(C)C ZINC000354166826 457104483 /nfs/dbraw/zinc/10/44/83/457104483.db2.gz NBQIRWJJCZZWLC-FQEVSTJZSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)nn1CC(C)C ZINC000354166826 457104487 /nfs/dbraw/zinc/10/44/87/457104487.db2.gz NBQIRWJJCZZWLC-FQEVSTJZSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)nn1CC(C)C ZINC000354166826 457104490 /nfs/dbraw/zinc/10/44/90/457104490.db2.gz NBQIRWJJCZZWLC-FQEVSTJZSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)nn1CC(C)C ZINC000354166826 457104493 /nfs/dbraw/zinc/10/44/93/457104493.db2.gz NBQIRWJJCZZWLC-FQEVSTJZSA-N 2 2 348.535 3.164 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432533 457115252 /nfs/dbraw/zinc/11/52/52/457115252.db2.gz ATVGFJSJGGOXTQ-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432533 457115256 /nfs/dbraw/zinc/11/52/56/457115256.db2.gz ATVGFJSJGGOXTQ-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000339432533 457115261 /nfs/dbraw/zinc/11/52/61/457115261.db2.gz ATVGFJSJGGOXTQ-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000339432533 457115264 /nfs/dbraw/zinc/11/52/64/457115264.db2.gz ATVGFJSJGGOXTQ-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434962 457116125 /nfs/dbraw/zinc/11/61/25/457116125.db2.gz YXQFPUQPNHDECW-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434962 457116132 /nfs/dbraw/zinc/11/61/32/457116132.db2.gz YXQFPUQPNHDECW-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339434962 457116136 /nfs/dbraw/zinc/11/61/36/457116136.db2.gz YXQFPUQPNHDECW-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339434962 457116144 /nfs/dbraw/zinc/11/61/44/457116144.db2.gz YXQFPUQPNHDECW-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1c(Cl)cccc1N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000342131314 457125376 /nfs/dbraw/zinc/12/53/76/457125376.db2.gz OCTHVTCIGXWLKR-UHFFFAOYSA-N 2 2 332.879 3.447 20 0 EGADLP Cc1c(Cl)cccc1N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000342131314 457125382 /nfs/dbraw/zinc/12/53/82/457125382.db2.gz OCTHVTCIGXWLKR-UHFFFAOYSA-N 2 2 332.879 3.447 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225625 457141605 /nfs/dbraw/zinc/14/16/05/457141605.db2.gz SEETVZCTPXUWMV-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225625 457141611 /nfs/dbraw/zinc/14/16/11/457141611.db2.gz SEETVZCTPXUWMV-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225625 457141616 /nfs/dbraw/zinc/14/16/16/457141616.db2.gz SEETVZCTPXUWMV-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225625 457141623 /nfs/dbraw/zinc/14/16/23/457141623.db2.gz SEETVZCTPXUWMV-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000362919533 457155379 /nfs/dbraw/zinc/15/53/79/457155379.db2.gz VPTRKDMBCVKSQX-KDOFPFPSSA-N 2 2 328.391 3.050 20 0 EGADLP CCN1CCN(c2c(C)c(C)[nH+]c3ccccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000359990086 457189434 /nfs/dbraw/zinc/18/94/34/457189434.db2.gz BRUXDRNGLNWZDL-SFHVURJKSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@@H+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C[C@H]1c1ncc[nH]1 ZINC000359990086 457189439 /nfs/dbraw/zinc/18/94/39/457189439.db2.gz BRUXDRNGLNWZDL-SFHVURJKSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@H+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C[C@H]1c1ncc[nH]1 ZINC000359990086 457189443 /nfs/dbraw/zinc/18/94/43/457189443.db2.gz BRUXDRNGLNWZDL-SFHVURJKSA-N 2 2 335.455 3.458 20 0 EGADLP Cc1cc(N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)nc[nH+]1 ZINC000347051221 457205343 /nfs/dbraw/zinc/20/53/43/457205343.db2.gz IOOYBXIJERJBHX-UHFFFAOYSA-N 2 2 338.377 3.372 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000360028570 457211875 /nfs/dbraw/zinc/21/18/75/457211875.db2.gz GFIOVTPQUZLVMS-HOTGVXAUSA-N 2 2 343.475 3.496 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000347078477 457218465 /nfs/dbraw/zinc/21/84/65/457218465.db2.gz VRPSKEIXHLRQKZ-OLZOCXBDSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000347078477 457218469 /nfs/dbraw/zinc/21/84/69/457218469.db2.gz VRPSKEIXHLRQKZ-OLZOCXBDSA-N 2 2 328.403 3.246 20 0 EGADLP Cc1ccn2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cnc2c1 ZINC000342312879 457230802 /nfs/dbraw/zinc/23/08/02/457230802.db2.gz MJWMUGPGKOLOMQ-XLIONFOSSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1ccn2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cnc2c1 ZINC000342312879 457230805 /nfs/dbraw/zinc/23/08/05/457230805.db2.gz MJWMUGPGKOLOMQ-XLIONFOSSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000331876300 457266422 /nfs/dbraw/zinc/26/64/22/457266422.db2.gz CCCQRWSMPOVYBM-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000354541116 457279319 /nfs/dbraw/zinc/27/93/19/457279319.db2.gz OQXGUUQFAYQOLF-QGZVFWFLSA-N 2 2 331.435 3.311 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH2+]CCCc2ccc(C)[nH+]c2)c(C)c1 ZINC000354540832 457279539 /nfs/dbraw/zinc/27/95/39/457279539.db2.gz BEEMSZCVTRLKQW-UHFFFAOYSA-N 2 2 325.456 3.476 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355227912 457349981 /nfs/dbraw/zinc/34/99/81/457349981.db2.gz WEJYONRYJIBVLE-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355227912 457349982 /nfs/dbraw/zinc/34/99/82/457349982.db2.gz WEJYONRYJIBVLE-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1F ZINC000355730548 457408231 /nfs/dbraw/zinc/40/82/31/457408231.db2.gz ROGVCPGZZZITSK-KDOFPFPSSA-N 2 2 340.508 3.040 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc21 ZINC000360897227 457418775 /nfs/dbraw/zinc/41/87/75/457418775.db2.gz LEOYXLUAGKQLLP-UXPWSPDFSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc21 ZINC000360897227 457418781 /nfs/dbraw/zinc/41/87/81/457418781.db2.gz LEOYXLUAGKQLLP-UXPWSPDFSA-N 2 2 343.515 3.157 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000352535557 457446051 /nfs/dbraw/zinc/44/60/51/457446051.db2.gz SCJCRVPKDCFDDO-NRFANRHFSA-N 2 2 336.483 3.425 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000352535557 457446053 /nfs/dbraw/zinc/44/60/53/457446053.db2.gz SCJCRVPKDCFDDO-NRFANRHFSA-N 2 2 336.483 3.425 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n(C)n1 ZINC000391074645 457449249 /nfs/dbraw/zinc/44/92/49/457449249.db2.gz QURGVDNHMAQBKN-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n(C)n1 ZINC000391074645 457449256 /nfs/dbraw/zinc/44/92/56/457449256.db2.gz QURGVDNHMAQBKN-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000352546298 457456223 /nfs/dbraw/zinc/45/62/23/457456223.db2.gz SNRPOZDRYUYRLN-SFHVURJKSA-N 2 2 330.863 3.101 20 0 EGADLP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000352546298 457456231 /nfs/dbraw/zinc/45/62/31/457456231.db2.gz SNRPOZDRYUYRLN-SFHVURJKSA-N 2 2 330.863 3.101 20 0 EGADLP CC(C)(C)OC1CC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000352558816 457466007 /nfs/dbraw/zinc/46/60/07/457466007.db2.gz ZOUHROOJQGNAKH-UHFFFAOYSA-N 2 2 327.472 3.410 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000352559722 457466680 /nfs/dbraw/zinc/46/66/80/457466680.db2.gz DGZYWDHXFONXSJ-UHFFFAOYSA-N 2 2 332.879 3.053 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342703949 457466822 /nfs/dbraw/zinc/46/68/22/457466822.db2.gz KFHQHEBOSWNVAB-YOEHRIQHSA-N 2 2 338.455 3.213 20 0 EGADLP CSc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000357361824 457473018 /nfs/dbraw/zinc/47/30/18/457473018.db2.gz YXDQYZXLWFLCEX-YJBOKZPZSA-N 2 2 327.497 3.414 20 0 EGADLP CSc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000357361824 457473022 /nfs/dbraw/zinc/47/30/22/457473022.db2.gz YXDQYZXLWFLCEX-YJBOKZPZSA-N 2 2 327.497 3.414 20 0 EGADLP CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364144639 457496844 /nfs/dbraw/zinc/49/68/44/457496844.db2.gz PDMNVAWINRPBPI-YLJYHZDGSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364144639 457496855 /nfs/dbraw/zinc/49/68/55/457496855.db2.gz PDMNVAWINRPBPI-YLJYHZDGSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1c[nH+]c(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1C ZINC000342800598 457533861 /nfs/dbraw/zinc/53/38/61/457533861.db2.gz SOIZFRTZUITKDR-UHFFFAOYSA-N 2 2 326.488 3.170 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CC1 ZINC000361058300 457550916 /nfs/dbraw/zinc/55/09/16/457550916.db2.gz BDMGLYXDHPNTGE-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073838 457564469 /nfs/dbraw/zinc/56/44/69/457564469.db2.gz NMCRAPLOAHWVOI-SJORKVTESA-N 2 2 334.508 3.069 20 0 EGADLP O[C@H]1CC[N@H+](Cc2cccc(NCc3ccc(-n4cc[nH+]c4)cc3)c2)C1 ZINC000361077139 457568839 /nfs/dbraw/zinc/56/88/39/457568839.db2.gz FVNYFVHRXWVPGF-NRFANRHFSA-N 2 2 348.450 3.051 20 0 EGADLP O[C@H]1CC[N@@H+](Cc2cccc(NCc3ccc(-n4cc[nH+]c4)cc3)c2)C1 ZINC000361077139 457568844 /nfs/dbraw/zinc/56/88/44/457568844.db2.gz FVNYFVHRXWVPGF-NRFANRHFSA-N 2 2 348.450 3.051 20 0 EGADLP CC[NH+](CC)[C@@H]1CCN(c2cc(COC)[nH+]c3ccc(F)cc32)C1 ZINC000357505205 457569258 /nfs/dbraw/zinc/56/92/58/457569258.db2.gz AEBZLEGNMYHWLZ-MRXNPFEDSA-N 2 2 331.435 3.441 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)s1 ZINC000356362226 457586119 /nfs/dbraw/zinc/58/61/19/457586119.db2.gz KMAZKUHKKYKRFH-IBGZPJMESA-N 2 2 343.496 3.174 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)s1 ZINC000356362226 457586127 /nfs/dbraw/zinc/58/61/27/457586127.db2.gz KMAZKUHKKYKRFH-IBGZPJMESA-N 2 2 343.496 3.174 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000370310253 457616544 /nfs/dbraw/zinc/61/65/44/457616544.db2.gz YAZVEJGWVBRZJQ-QAPCUYQASA-N 2 2 344.890 3.439 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000370310253 457616547 /nfs/dbraw/zinc/61/65/47/457616547.db2.gz YAZVEJGWVBRZJQ-QAPCUYQASA-N 2 2 344.890 3.439 20 0 EGADLP CCOC(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000374518574 457646923 /nfs/dbraw/zinc/64/69/23/457646923.db2.gz HDHZSQAUJSQFAH-SFHVURJKSA-N 2 2 334.504 3.276 20 0 EGADLP CCOC(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000374518574 457646926 /nfs/dbraw/zinc/64/69/26/457646926.db2.gz HDHZSQAUJSQFAH-SFHVURJKSA-N 2 2 334.504 3.276 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370671587 457696941 /nfs/dbraw/zinc/69/69/41/457696941.db2.gz UWDSWYKXTUDAHC-ZBFHGGJFSA-N 2 2 336.549 3.130 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370671587 457696942 /nfs/dbraw/zinc/69/69/42/457696942.db2.gz UWDSWYKXTUDAHC-ZBFHGGJFSA-N 2 2 336.549 3.130 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671386 457697144 /nfs/dbraw/zinc/69/71/44/457697144.db2.gz QSSVAPSOEYUCAY-NHCUHLMSSA-N 3 2 345.506 3.049 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671386 457697146 /nfs/dbraw/zinc/69/71/46/457697146.db2.gz QSSVAPSOEYUCAY-NHCUHLMSSA-N 3 2 345.506 3.049 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000361344234 457700392 /nfs/dbraw/zinc/70/03/92/457700392.db2.gz RLKMKGSUCBJSKH-HOTGVXAUSA-N 2 2 336.549 3.273 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000361344234 457700395 /nfs/dbraw/zinc/70/03/95/457700395.db2.gz RLKMKGSUCBJSKH-HOTGVXAUSA-N 2 2 336.549 3.273 20 0 EGADLP CCN1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1=O ZINC000361381192 457712788 /nfs/dbraw/zinc/71/27/88/457712788.db2.gz MGIKXPJWLHJGPV-MRXNPFEDSA-N 2 2 342.487 3.068 20 0 EGADLP CCN1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@H](C)C1=O ZINC000361381192 457712792 /nfs/dbraw/zinc/71/27/92/457712792.db2.gz MGIKXPJWLHJGPV-MRXNPFEDSA-N 2 2 342.487 3.068 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000365261761 457733641 /nfs/dbraw/zinc/73/36/41/457733641.db2.gz NKUVNIFGPFTZBA-GFCCVEGCSA-N 2 2 335.249 3.037 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)nnn1-c1ccccc1 ZINC000358020104 457742116 /nfs/dbraw/zinc/74/21/16/457742116.db2.gz LNUFJMCJICHNQH-MRXNPFEDSA-N 2 2 341.503 3.347 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)s1 ZINC000425956086 457747460 /nfs/dbraw/zinc/74/74/60/457747460.db2.gz VLUYFMRGJCILGZ-HXUWFJFHSA-N 2 2 344.524 3.434 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)s1 ZINC000425956086 457747463 /nfs/dbraw/zinc/74/74/63/457747463.db2.gz VLUYFMRGJCILGZ-HXUWFJFHSA-N 2 2 344.524 3.434 20 0 EGADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000425956086 457747466 /nfs/dbraw/zinc/74/74/66/457747466.db2.gz VLUYFMRGJCILGZ-HXUWFJFHSA-N 2 2 344.524 3.434 20 0 EGADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000425956086 457747470 /nfs/dbraw/zinc/74/74/70/457747470.db2.gz VLUYFMRGJCILGZ-HXUWFJFHSA-N 2 2 344.524 3.434 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000358053126 457754721 /nfs/dbraw/zinc/75/47/21/457754721.db2.gz ZTZGSWMBKMINQT-IMJJTQAJSA-N 2 2 328.485 3.483 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000358053126 457754726 /nfs/dbraw/zinc/75/47/26/457754726.db2.gz ZTZGSWMBKMINQT-IMJJTQAJSA-N 2 2 328.485 3.483 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000426034286 457763717 /nfs/dbraw/zinc/76/37/17/457763717.db2.gz HUFSDFUOZOPBRH-GWFLUQINSA-N 2 2 330.472 3.143 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000426034286 457763723 /nfs/dbraw/zinc/76/37/23/457763723.db2.gz HUFSDFUOZOPBRH-GWFLUQINSA-N 2 2 330.472 3.143 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000426300297 457803428 /nfs/dbraw/zinc/80/34/28/457803428.db2.gz DOFLYKVPAYGAEA-QGZVFWFLSA-N 2 2 344.528 3.458 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426300297 457803432 /nfs/dbraw/zinc/80/34/32/457803432.db2.gz DOFLYKVPAYGAEA-QGZVFWFLSA-N 2 2 344.528 3.458 20 0 EGADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000426329686 457805505 /nfs/dbraw/zinc/80/55/05/457805505.db2.gz HINNWWXHRLQQIV-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000426329686 457805511 /nfs/dbraw/zinc/80/55/11/457805511.db2.gz HINNWWXHRLQQIV-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000358154572 457819838 /nfs/dbraw/zinc/81/98/38/457819838.db2.gz KRTYFPUAZQQRQU-RHSMWYFYSA-N 2 2 338.879 3.254 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2)NC(=O)OC(C)(C)C ZINC000375316808 457878812 /nfs/dbraw/zinc/87/88/12/457878812.db2.gz FBIFODOACJDLQQ-KBPBESRZSA-N 2 2 336.480 3.001 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000358263056 457896337 /nfs/dbraw/zinc/89/63/37/457896337.db2.gz ZRHYUNWJMRYHFE-CQSZACIVSA-N 2 2 327.428 3.250 20 0 EGADLP CCn1ccnc1[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CCOCC1 ZINC000375420132 457925343 /nfs/dbraw/zinc/92/53/43/457925343.db2.gz QEMZYRUYKKGPBJ-SFHVURJKSA-N 2 2 348.535 3.223 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000361879071 457925787 /nfs/dbraw/zinc/92/57/87/457925787.db2.gz FUMYQMHBNFVVDA-OXJNMPFZSA-N 2 2 328.456 3.130 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000361879071 457925796 /nfs/dbraw/zinc/92/57/96/457925796.db2.gz FUMYQMHBNFVVDA-OXJNMPFZSA-N 2 2 328.456 3.130 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)c(C)n2n1 ZINC000371451914 457937988 /nfs/dbraw/zinc/93/79/88/457937988.db2.gz TWMGQSARGADMBR-ZBFHGGJFSA-N 2 2 338.459 3.079 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361893900 457938109 /nfs/dbraw/zinc/93/81/09/457938109.db2.gz SIRAUSWGEXLYRZ-IFXJQAMLSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361893900 457938116 /nfs/dbraw/zinc/93/81/16/457938116.db2.gz SIRAUSWGEXLYRZ-IFXJQAMLSA-N 2 2 345.512 3.048 20 0 EGADLP COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CCn3cc[nH+]c3)n2)c1 ZINC000367270177 457939159 /nfs/dbraw/zinc/93/91/59/457939159.db2.gz JVFYKDVZGCYZEW-GOSISDBHSA-N 2 2 337.427 3.119 20 0 EGADLP COc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3CCn3cc[nH+]c3)n2)c1 ZINC000367270177 457939165 /nfs/dbraw/zinc/93/91/65/457939165.db2.gz JVFYKDVZGCYZEW-GOSISDBHSA-N 2 2 337.427 3.119 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000375703922 458030094 /nfs/dbraw/zinc/03/00/94/458030094.db2.gz JRWGGKSWSFHGNN-FCHUYYIVSA-N 2 2 336.479 3.423 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000375703922 458030104 /nfs/dbraw/zinc/03/01/04/458030104.db2.gz JRWGGKSWSFHGNN-FCHUYYIVSA-N 2 2 336.479 3.423 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035753 458069539 /nfs/dbraw/zinc/06/95/39/458069539.db2.gz QCVUKLPOPLMUGB-GDBMZVCRSA-N 2 2 331.847 3.487 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035753 458069544 /nfs/dbraw/zinc/06/95/44/458069544.db2.gz QCVUKLPOPLMUGB-GDBMZVCRSA-N 2 2 331.847 3.487 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037538 458069769 /nfs/dbraw/zinc/06/97/69/458069769.db2.gz ZCFHHCHTHFVXGM-YLJYHZDGSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037538 458069772 /nfs/dbraw/zinc/06/97/72/458069772.db2.gz ZCFHHCHTHFVXGM-YLJYHZDGSA-N 2 2 347.547 3.164 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])cc2)cs1 ZINC000435377622 458126338 /nfs/dbraw/zinc/12/63/38/458126338.db2.gz DNLLXQYVGKGPBL-QGZVFWFLSA-N 2 2 331.485 3.344 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+]3CCCC[C@@H]3C[NH3+])cc2)cs1 ZINC000435377622 458126347 /nfs/dbraw/zinc/12/63/47/458126347.db2.gz DNLLXQYVGKGPBL-QGZVFWFLSA-N 2 2 331.485 3.344 20 0 EGADLP CC(C)CC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000445993278 458126940 /nfs/dbraw/zinc/12/69/40/458126940.db2.gz SDSNUXRCFYDFEF-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP CC(C)CC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000445993278 458126941 /nfs/dbraw/zinc/12/69/41/458126941.db2.gz SDSNUXRCFYDFEF-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCc1ccc(F)cc1 ZINC000435380714 458128754 /nfs/dbraw/zinc/12/87/54/458128754.db2.gz PEOFZBJDAQBJJT-UHFFFAOYSA-N 2 2 344.430 3.336 20 0 EGADLP C[N@H+](Cc1ccc(Cl)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437284 458144223 /nfs/dbraw/zinc/14/42/23/458144223.db2.gz HQVPGJMKQJPDHY-GOSISDBHSA-N 2 2 334.847 3.002 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437284 458144225 /nfs/dbraw/zinc/14/42/25/458144225.db2.gz HQVPGJMKQJPDHY-GOSISDBHSA-N 2 2 334.847 3.002 20 0 EGADLP C[NH+](Cc1ccc(Cl)o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428437284 458144230 /nfs/dbraw/zinc/14/42/30/458144230.db2.gz HQVPGJMKQJPDHY-GOSISDBHSA-N 2 2 334.847 3.002 20 0 EGADLP C[NH+](Cc1ccc(Cl)o1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428437284 458144236 /nfs/dbraw/zinc/14/42/36/458144236.db2.gz HQVPGJMKQJPDHY-GOSISDBHSA-N 2 2 334.847 3.002 20 0 EGADLP Oc1cc(F)cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435430272 458145120 /nfs/dbraw/zinc/14/51/20/458145120.db2.gz ZXDSYAREBVCCAG-INIZCTEOSA-N 2 2 347.459 3.132 20 0 EGADLP Oc1cc(F)cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435430272 458145129 /nfs/dbraw/zinc/14/51/29/458145129.db2.gz ZXDSYAREBVCCAG-INIZCTEOSA-N 2 2 347.459 3.132 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393447 458149620 /nfs/dbraw/zinc/14/96/20/458149620.db2.gz LEWOAYHJIYHOHL-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393447 458149623 /nfs/dbraw/zinc/14/96/23/458149623.db2.gz LEWOAYHJIYHOHL-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393447 458149625 /nfs/dbraw/zinc/14/96/25/458149625.db2.gz LEWOAYHJIYHOHL-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393447 458149626 /nfs/dbraw/zinc/14/96/26/458149626.db2.gz LEWOAYHJIYHOHL-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000435537798 458159964 /nfs/dbraw/zinc/15/99/64/458159964.db2.gz QZGKJVQMTJCOFC-GWMUQRIZSA-N 2 2 329.419 3.302 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435614986 458171970 /nfs/dbraw/zinc/17/19/70/458171970.db2.gz OJPYWQYMPWMUFG-NVXWUHKLSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435614986 458171978 /nfs/dbraw/zinc/17/19/78/458171978.db2.gz OJPYWQYMPWMUFG-NVXWUHKLSA-N 2 2 343.471 3.026 20 0 EGADLP C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435611472 458172358 /nfs/dbraw/zinc/17/23/58/458172358.db2.gz SKONLMBGNRYIHG-GOSISDBHSA-N 2 2 349.494 3.027 20 0 EGADLP C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435611472 458172365 /nfs/dbraw/zinc/17/23/65/458172365.db2.gz SKONLMBGNRYIHG-GOSISDBHSA-N 2 2 349.494 3.027 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435614985 458172377 /nfs/dbraw/zinc/17/23/77/458172377.db2.gz OJPYWQYMPWMUFG-DOTOQJQBSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435614985 458172383 /nfs/dbraw/zinc/17/23/83/458172383.db2.gz OJPYWQYMPWMUFG-DOTOQJQBSA-N 2 2 343.471 3.026 20 0 EGADLP CC[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435629217 458176260 /nfs/dbraw/zinc/17/62/60/458176260.db2.gz SPYWIEUBCGWXMR-OAHLLOKOSA-N 2 2 334.851 3.354 20 0 EGADLP CC[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435629217 458176268 /nfs/dbraw/zinc/17/62/68/458176268.db2.gz SPYWIEUBCGWXMR-OAHLLOKOSA-N 2 2 334.851 3.354 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435626534 458177024 /nfs/dbraw/zinc/17/70/24/458177024.db2.gz KTFPQCQPQDQJNY-SFHVURJKSA-N 2 2 331.504 3.214 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435626534 458177031 /nfs/dbraw/zinc/17/70/31/458177031.db2.gz KTFPQCQPQDQJNY-SFHVURJKSA-N 2 2 331.504 3.214 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446361784 458181723 /nfs/dbraw/zinc/18/17/23/458181723.db2.gz DVYBQARHNJRACN-IINYFYTJSA-N 2 2 335.766 3.166 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000369396774 458200994 /nfs/dbraw/zinc/20/09/94/458200994.db2.gz ASRCAPBROIWUFD-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000369396774 458201001 /nfs/dbraw/zinc/20/10/01/458201001.db2.gz ASRCAPBROIWUFD-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459080666 458261064 /nfs/dbraw/zinc/26/10/64/458261064.db2.gz PWPUPWUCSHSDQV-UHFFFAOYSA-N 2 2 346.519 3.496 20 0 EGADLP COc1ccc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000436276970 458281732 /nfs/dbraw/zinc/28/17/32/458281732.db2.gz VLCBZGJNXCHRNR-UHFFFAOYSA-N 2 2 325.456 3.017 20 0 EGADLP COc1ccc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000436276970 458281737 /nfs/dbraw/zinc/28/17/37/458281737.db2.gz VLCBZGJNXCHRNR-UHFFFAOYSA-N 2 2 325.456 3.017 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)CCC2 ZINC000447518013 458303125 /nfs/dbraw/zinc/30/31/25/458303125.db2.gz MTDQVNWEMGENRL-LSDHHAIUSA-N 2 2 334.460 3.216 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)CCC2 ZINC000447518013 458303131 /nfs/dbraw/zinc/30/31/31/458303131.db2.gz MTDQVNWEMGENRL-LSDHHAIUSA-N 2 2 334.460 3.216 20 0 EGADLP Cc1ccc2[nH+]cc(CN[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)n2c1 ZINC000414901515 458326438 /nfs/dbraw/zinc/32/64/38/458326438.db2.gz XCYYGEOGUHXKDM-RTBURBONSA-N 2 2 338.430 3.017 20 0 EGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429460293 458334361 /nfs/dbraw/zinc/33/43/61/458334361.db2.gz XRBHFJFDTDVERS-RXVVDRJESA-N 2 2 346.515 3.072 20 0 EGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429460293 458334363 /nfs/dbraw/zinc/33/43/63/458334363.db2.gz XRBHFJFDTDVERS-RXVVDRJESA-N 2 2 346.515 3.072 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000376559804 458338108 /nfs/dbraw/zinc/33/81/08/458338108.db2.gz ZKBSMJNFYZIEMR-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1C ZINC000376559804 458338109 /nfs/dbraw/zinc/33/81/09/458338109.db2.gz ZKBSMJNFYZIEMR-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP FC(F)(F)Oc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376728359 458376856 /nfs/dbraw/zinc/37/68/56/458376856.db2.gz KBAXLUOBHHZHHS-UHFFFAOYSA-N 2 2 325.334 3.408 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448025560 458381234 /nfs/dbraw/zinc/38/12/34/458381234.db2.gz DUHKASSIBONIOJ-AEFFLSMTSA-N 2 2 331.504 3.138 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448025560 458381239 /nfs/dbraw/zinc/38/12/39/458381239.db2.gz DUHKASSIBONIOJ-AEFFLSMTSA-N 2 2 331.504 3.138 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000373099866 458397222 /nfs/dbraw/zinc/39/72/22/458397222.db2.gz OXPRSUMKPDQZHV-CQSZACIVSA-N 2 2 346.862 3.282 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000373099866 458397226 /nfs/dbraw/zinc/39/72/26/458397226.db2.gz OXPRSUMKPDQZHV-CQSZACIVSA-N 2 2 346.862 3.282 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000373106782 458399599 /nfs/dbraw/zinc/39/95/99/458399599.db2.gz MODXCUVMJGEVRG-QGZVFWFLSA-N 2 2 340.471 3.041 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000373106782 458399601 /nfs/dbraw/zinc/39/96/01/458399601.db2.gz MODXCUVMJGEVRG-QGZVFWFLSA-N 2 2 340.471 3.041 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000423502489 458445213 /nfs/dbraw/zinc/44/52/13/458445213.db2.gz MALMVPFMHCRBCA-FOIQADDNSA-N 2 2 335.455 3.180 20 0 EGADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)cs2)cs1 ZINC000423521476 458449829 /nfs/dbraw/zinc/44/98/29/458449829.db2.gz QTAVIQDLMKXLLA-SMDDNHRTSA-N 2 2 337.514 3.209 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000423519067 458450369 /nfs/dbraw/zinc/45/03/69/458450369.db2.gz ZUCCVQMKTBWHCK-RDTXWAMCSA-N 2 2 326.440 3.371 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423527126 458452255 /nfs/dbraw/zinc/45/22/55/458452255.db2.gz RFNFPZGLZJCSQQ-QRWLVFNGSA-N 2 2 344.430 3.044 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000430546602 458458878 /nfs/dbraw/zinc/45/88/78/458458878.db2.gz DJBVMEAQHHTGAQ-AWEZNQCLSA-N 2 2 329.275 3.446 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000430546602 458458880 /nfs/dbraw/zinc/45/88/80/458458880.db2.gz DJBVMEAQHHTGAQ-AWEZNQCLSA-N 2 2 329.275 3.446 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430543843 458458464 /nfs/dbraw/zinc/45/84/64/458458464.db2.gz NFLKEKLDMPUYJY-RVKKMQEKSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430543843 458458468 /nfs/dbraw/zinc/45/84/68/458458468.db2.gz NFLKEKLDMPUYJY-RVKKMQEKSA-N 2 2 331.504 3.198 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423579140 458458561 /nfs/dbraw/zinc/45/85/61/458458561.db2.gz VTTDREMCRPCFBU-BBRMVZONSA-N 2 2 332.394 3.271 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000430546804 458458864 /nfs/dbraw/zinc/45/88/64/458458864.db2.gz KEMIXRYKJSHSKP-HXUWFJFHSA-N 2 2 339.439 3.134 20 0 EGADLP [NH3+]C1(C[NH2+]C2CCC3(CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423579458 458459135 /nfs/dbraw/zinc/45/91/35/458459135.db2.gz WHTPWSUVEXVUNG-UHFFFAOYSA-N 3 2 327.516 3.292 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC1 ZINC000430556478 458460550 /nfs/dbraw/zinc/46/05/50/458460550.db2.gz ULVWPUJPYYTVSD-FQEVSTJZSA-N 2 2 335.536 3.197 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000430564079 458462170 /nfs/dbraw/zinc/46/21/70/458462170.db2.gz YHQFMOXTCZPXBJ-ZDUSSCGKSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000430564079 458462174 /nfs/dbraw/zinc/46/21/74/458462174.db2.gz YHQFMOXTCZPXBJ-ZDUSSCGKSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430575362 458463015 /nfs/dbraw/zinc/46/30/15/458463015.db2.gz QUCMHZHLTJEIKU-PXNSSMCTSA-N 2 2 349.494 3.136 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000459744391 458466107 /nfs/dbraw/zinc/46/61/07/458466107.db2.gz HYURUZFKYQFLQS-CQSZACIVSA-N 2 2 332.879 3.389 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c(Cl)c1 ZINC000430597582 458469674 /nfs/dbraw/zinc/46/96/74/458469674.db2.gz QOJFPPDQHLNGBK-ZDUSSCGKSA-N 2 2 325.884 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c(Cl)c1 ZINC000430597582 458469677 /nfs/dbraw/zinc/46/96/77/458469677.db2.gz QOJFPPDQHLNGBK-ZDUSSCGKSA-N 2 2 325.884 3.201 20 0 EGADLP [NH3+]C1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430609957 458470653 /nfs/dbraw/zinc/47/06/53/458470653.db2.gz IYWJZSMLRNRHGZ-GOSISDBHSA-N 2 2 334.423 3.249 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1)c1cccc2ccccc21 ZINC000430639806 458474701 /nfs/dbraw/zinc/47/47/01/458474701.db2.gz GHBGNZMXUAABPE-KRWDZBQOSA-N 2 2 339.483 3.124 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1)c1cccc2ccccc21 ZINC000430639806 458474707 /nfs/dbraw/zinc/47/47/07/458474707.db2.gz GHBGNZMXUAABPE-KRWDZBQOSA-N 2 2 339.483 3.124 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430920215 458504718 /nfs/dbraw/zinc/50/47/18/458504718.db2.gz UOAIZJMYXLUULP-SUMWQHHRSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430920215 458504728 /nfs/dbraw/zinc/50/47/28/458504728.db2.gz UOAIZJMYXLUULP-SUMWQHHRSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430972875 458512445 /nfs/dbraw/zinc/51/24/45/458512445.db2.gz RWWWWCJCUQRPON-PBEJRMEISA-N 2 2 343.515 3.093 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430972875 458512450 /nfs/dbraw/zinc/51/24/50/458512450.db2.gz RWWWWCJCUQRPON-PBEJRMEISA-N 2 2 343.515 3.093 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000423931622 458514964 /nfs/dbraw/zinc/51/49/64/458514964.db2.gz MLKSFZZVDQMDGN-BFUOFWGJSA-N 2 2 342.487 3.169 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377763306 458516379 /nfs/dbraw/zinc/51/63/79/458516379.db2.gz OZJKEQKSAPBVAF-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377763306 458516387 /nfs/dbraw/zinc/51/63/87/458516387.db2.gz OZJKEQKSAPBVAF-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377763306 458516390 /nfs/dbraw/zinc/51/63/90/458516390.db2.gz OZJKEQKSAPBVAF-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377763306 458516400 /nfs/dbraw/zinc/51/64/00/458516400.db2.gz OZJKEQKSAPBVAF-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000431038997 458519418 /nfs/dbraw/zinc/51/94/18/458519418.db2.gz FYDOBEXPQFSYSI-KRWDZBQOSA-N 2 2 342.418 3.366 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431160999 458537197 /nfs/dbraw/zinc/53/71/97/458537197.db2.gz VXNHZHKPIKKGHG-IBGZPJMESA-N 2 2 340.423 3.336 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431160999 458537201 /nfs/dbraw/zinc/53/72/01/458537201.db2.gz VXNHZHKPIKKGHG-IBGZPJMESA-N 2 2 340.423 3.336 20 0 EGADLP CC(C)(CC[NH3+])NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000424047264 458544641 /nfs/dbraw/zinc/54/46/41/458544641.db2.gz NMCPAIBJBGWMGA-UHFFFAOYSA-N 2 2 342.487 3.328 20 0 EGADLP Cc1ccn2cc(CNC(=O)CC[C@@H]([NH3+])CC3CCCCC3)[nH+]c2c1 ZINC000424135269 458568262 /nfs/dbraw/zinc/56/82/62/458568262.db2.gz OTCAWKMFUXAYPJ-QGZVFWFLSA-N 2 2 342.487 3.337 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000438354951 458569498 /nfs/dbraw/zinc/56/94/98/458569498.db2.gz QQQAHLAFRCHGMT-NYVOZVTQSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000438354951 458569501 /nfs/dbraw/zinc/56/95/01/458569501.db2.gz QQQAHLAFRCHGMT-NYVOZVTQSA-N 2 2 338.495 3.090 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000431434908 458572911 /nfs/dbraw/zinc/57/29/11/458572911.db2.gz PCZVYQLUZZLYOK-SUMWQHHRSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000431434908 458572916 /nfs/dbraw/zinc/57/29/16/458572916.db2.gz PCZVYQLUZZLYOK-SUMWQHHRSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](CC3CCC(c4ccccc4)CC3)C[C@H]2[NH3+])cn1 ZINC000424285712 458603729 /nfs/dbraw/zinc/60/37/29/458603729.db2.gz FCKWLXAQAIGWHK-LNHIOMRXSA-N 2 2 338.499 3.121 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](CC3CCC(c4ccccc4)CC3)C[C@H]2[NH3+])cn1 ZINC000424285712 458603737 /nfs/dbraw/zinc/60/37/37/458603737.db2.gz FCKWLXAQAIGWHK-LNHIOMRXSA-N 2 2 338.499 3.121 20 0 EGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294474 458607047 /nfs/dbraw/zinc/60/70/47/458607047.db2.gz OWEKGDFQXFPJCX-ZOCIIQOWSA-N 2 2 326.488 3.205 20 0 EGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294474 458607053 /nfs/dbraw/zinc/60/70/53/458607053.db2.gz OWEKGDFQXFPJCX-ZOCIIQOWSA-N 2 2 326.488 3.205 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+]C[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)cc12 ZINC000494440464 458678384 /nfs/dbraw/zinc/67/83/84/458678384.db2.gz XTXKAIWBPUTKMH-OAQYLSRUSA-N 2 2 349.482 3.411 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+]C[C@@]3(C)CCC[N@H+]3Cc3ccccc3)cc12 ZINC000494440464 458678389 /nfs/dbraw/zinc/67/83/89/458678389.db2.gz XTXKAIWBPUTKMH-OAQYLSRUSA-N 2 2 349.482 3.411 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000432115483 458684290 /nfs/dbraw/zinc/68/42/90/458684290.db2.gz MSDIBOYRXGDKEO-AWEZNQCLSA-N 2 2 340.402 3.489 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000432115483 458684297 /nfs/dbraw/zinc/68/42/97/458684297.db2.gz MSDIBOYRXGDKEO-AWEZNQCLSA-N 2 2 340.402 3.489 20 0 EGADLP Cn1nccc1CC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503180395 458695928 /nfs/dbraw/zinc/69/59/28/458695928.db2.gz CCMRMMDODGZJLU-FQEVSTJZSA-N 2 2 340.515 3.025 20 0 EGADLP Cn1nccc1CC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503180395 458695929 /nfs/dbraw/zinc/69/59/29/458695929.db2.gz CCMRMMDODGZJLU-FQEVSTJZSA-N 2 2 340.515 3.025 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC000530222041 458722321 /nfs/dbraw/zinc/72/23/21/458722321.db2.gz QSMMIERQEUIJDR-ZACCUICWSA-N 2 2 331.204 3.100 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504691 458800216 /nfs/dbraw/zinc/80/02/16/458800216.db2.gz QYRZCJLFQTUWLZ-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504691 458800219 /nfs/dbraw/zinc/80/02/19/458800219.db2.gz QYRZCJLFQTUWLZ-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000472504691 458800222 /nfs/dbraw/zinc/80/02/22/458800222.db2.gz QYRZCJLFQTUWLZ-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000472504691 458800227 /nfs/dbraw/zinc/80/02/27/458800227.db2.gz QYRZCJLFQTUWLZ-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000456866205 458805922 /nfs/dbraw/zinc/80/59/22/458805922.db2.gz UQOXUGMFIINBGZ-IBGZPJMESA-N 2 2 337.467 3.227 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000456866205 458805923 /nfs/dbraw/zinc/80/59/23/458805923.db2.gz UQOXUGMFIINBGZ-IBGZPJMESA-N 2 2 337.467 3.227 20 0 EGADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432920945 458813940 /nfs/dbraw/zinc/81/39/40/458813940.db2.gz XLWHVZOUINUUSX-UHFFFAOYSA-N 2 2 335.250 3.069 20 0 EGADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495402157 458850317 /nfs/dbraw/zinc/85/03/17/458850317.db2.gz FWLMIYJIUACBDE-QGZVFWFLSA-N 2 2 337.508 3.018 20 0 EGADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495402157 458850320 /nfs/dbraw/zinc/85/03/20/458850320.db2.gz FWLMIYJIUACBDE-QGZVFWFLSA-N 2 2 337.508 3.018 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000474053411 458857242 /nfs/dbraw/zinc/85/72/42/458857242.db2.gz OPECVTUWTAXTQC-PKOBYXMFSA-N 2 2 334.529 3.445 20 0 EGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000474486857 458888244 /nfs/dbraw/zinc/88/82/44/458888244.db2.gz IUUUSFJODOUXBY-HMXCVIKNSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000474486857 458888250 /nfs/dbraw/zinc/88/82/50/458888250.db2.gz IUUUSFJODOUXBY-HMXCVIKNSA-N 2 2 330.516 3.210 20 0 EGADLP Cc1[nH+]c2c(n1C[C@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)CCCC2 ZINC000519064868 458911562 /nfs/dbraw/zinc/91/15/62/458911562.db2.gz VNHWGOJPEYFPQD-MRXNPFEDSA-N 2 2 338.455 3.098 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441345765 458924436 /nfs/dbraw/zinc/92/44/36/458924436.db2.gz HOWWIVNLAQTSTK-QUCCMNQESA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441345765 458924437 /nfs/dbraw/zinc/92/44/37/458924437.db2.gz HOWWIVNLAQTSTK-QUCCMNQESA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441345765 458924438 /nfs/dbraw/zinc/92/44/38/458924438.db2.gz HOWWIVNLAQTSTK-QUCCMNQESA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441345765 458924439 /nfs/dbraw/zinc/92/44/39/458924439.db2.gz HOWWIVNLAQTSTK-QUCCMNQESA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441362838 458927130 /nfs/dbraw/zinc/92/71/30/458927130.db2.gz ICDRUHRZWHHMNE-HXUWFJFHSA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441362838 458927132 /nfs/dbraw/zinc/92/71/32/458927132.db2.gz ICDRUHRZWHHMNE-HXUWFJFHSA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441362838 458927136 /nfs/dbraw/zinc/92/71/36/458927136.db2.gz ICDRUHRZWHHMNE-HXUWFJFHSA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441362838 458927140 /nfs/dbraw/zinc/92/71/40/458927140.db2.gz ICDRUHRZWHHMNE-HXUWFJFHSA-N 2 2 345.531 3.230 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369973 458929391 /nfs/dbraw/zinc/92/93/91/458929391.db2.gz OWLYEHLUELPZBB-WMZOPIPTSA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369973 458929395 /nfs/dbraw/zinc/92/93/95/458929395.db2.gz OWLYEHLUELPZBB-WMZOPIPTSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369973 458929400 /nfs/dbraw/zinc/92/94/00/458929400.db2.gz OWLYEHLUELPZBB-WMZOPIPTSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369973 458929404 /nfs/dbraw/zinc/92/94/04/458929404.db2.gz OWLYEHLUELPZBB-WMZOPIPTSA-N 2 2 349.906 3.252 20 0 EGADLP CN(C)c1[nH+]cc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)n1C ZINC000576849809 458933805 /nfs/dbraw/zinc/93/38/05/458933805.db2.gz SWLUDVYGMFNKTL-UHFFFAOYSA-N 2 2 338.459 3.174 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441397234 458936441 /nfs/dbraw/zinc/93/64/41/458936441.db2.gz TUIDJGZMBVXJPH-QKLQHJQFSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441397234 458936447 /nfs/dbraw/zinc/93/64/47/458936447.db2.gz TUIDJGZMBVXJPH-QKLQHJQFSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441397234 458936463 /nfs/dbraw/zinc/93/64/63/458936463.db2.gz TUIDJGZMBVXJPH-QKLQHJQFSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1C ZINC000556242419 458942048 /nfs/dbraw/zinc/94/20/48/458942048.db2.gz YCOWMQWRHJWZOL-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1C ZINC000556242419 458942052 /nfs/dbraw/zinc/94/20/52/458942052.db2.gz YCOWMQWRHJWZOL-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532566914 459109943 /nfs/dbraw/zinc/10/99/43/459109943.db2.gz USMLRAQFHJCFFB-GWVGAJKQSA-N 2 2 344.543 3.436 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532566914 459109951 /nfs/dbraw/zinc/10/99/51/459109951.db2.gz USMLRAQFHJCFFB-GWVGAJKQSA-N 2 2 344.543 3.436 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532566914 459109956 /nfs/dbraw/zinc/10/99/56/459109956.db2.gz USMLRAQFHJCFFB-GWVGAJKQSA-N 2 2 344.543 3.436 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532566914 459109962 /nfs/dbraw/zinc/10/99/62/459109962.db2.gz USMLRAQFHJCFFB-GWVGAJKQSA-N 2 2 344.543 3.436 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000578126646 459149821 /nfs/dbraw/zinc/14/98/21/459149821.db2.gz MTYASSCCLCJFJM-UZLBHIALSA-N 2 2 337.467 3.189 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323871 459149887 /nfs/dbraw/zinc/14/98/87/459149887.db2.gz JFQRCTZBKIOZBB-JKSUJKDBSA-N 2 2 339.524 3.048 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323871 459149889 /nfs/dbraw/zinc/14/98/89/459149889.db2.gz JFQRCTZBKIOZBB-JKSUJKDBSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323871 459149892 /nfs/dbraw/zinc/14/98/92/459149892.db2.gz JFQRCTZBKIOZBB-JKSUJKDBSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323871 459149895 /nfs/dbraw/zinc/14/98/95/459149895.db2.gz JFQRCTZBKIOZBB-JKSUJKDBSA-N 2 2 339.524 3.048 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323869 459150449 /nfs/dbraw/zinc/15/04/49/459150449.db2.gz JFQRCTZBKIOZBB-HZPDHXFCSA-N 2 2 339.524 3.048 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323869 459150454 /nfs/dbraw/zinc/15/04/54/459150454.db2.gz JFQRCTZBKIOZBB-HZPDHXFCSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323869 459150459 /nfs/dbraw/zinc/15/04/59/459150459.db2.gz JFQRCTZBKIOZBB-HZPDHXFCSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@@H]2C1 ZINC000496323869 459150464 /nfs/dbraw/zinc/15/04/64/459150464.db2.gz JFQRCTZBKIOZBB-HZPDHXFCSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000496433580 459191670 /nfs/dbraw/zinc/19/16/70/459191670.db2.gz TXWDMFWJKYSRPT-GJZGRUSLSA-N 2 2 348.491 3.145 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000496593093 459252124 /nfs/dbraw/zinc/25/21/24/459252124.db2.gz VCZUJNZUHCESKF-CABCVRRESA-N 2 2 344.459 3.117 20 0 EGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000559763690 459275266 /nfs/dbraw/zinc/27/52/66/459275266.db2.gz USLCKTFCIXUNHZ-QGZVFWFLSA-N 2 2 342.405 3.392 20 0 EGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000559763690 459275270 /nfs/dbraw/zinc/27/52/70/459275270.db2.gz USLCKTFCIXUNHZ-QGZVFWFLSA-N 2 2 342.405 3.392 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+]CC2Cc3ccccc3C2)[nH+]1 ZINC000581975859 459284292 /nfs/dbraw/zinc/28/42/92/459284292.db2.gz ZUCSHNHATAFWCU-UHFFFAOYSA-N 2 2 331.463 3.479 20 0 EGADLP C[NH+](C)[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000482164786 459294991 /nfs/dbraw/zinc/29/49/91/459294991.db2.gz QBNFLOWWMHOSOD-NRFANRHFSA-N 2 2 338.495 3.317 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560044520 459295412 /nfs/dbraw/zinc/29/54/12/459295412.db2.gz GWOIJSUEJYCACX-KRWDZBQOSA-N 2 2 346.519 3.289 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000482249374 459298603 /nfs/dbraw/zinc/29/86/03/459298603.db2.gz YXZOEQWWPMRVOC-AEFFLSMTSA-N 2 2 338.467 3.028 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000482249374 459298608 /nfs/dbraw/zinc/29/86/08/459298608.db2.gz YXZOEQWWPMRVOC-AEFFLSMTSA-N 2 2 338.467 3.028 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000496819904 459336143 /nfs/dbraw/zinc/33/61/43/459336143.db2.gz MNDXQFKCDOECHM-VNQPRFMTSA-N 2 2 348.491 3.083 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000496819904 459336145 /nfs/dbraw/zinc/33/61/45/459336145.db2.gz MNDXQFKCDOECHM-VNQPRFMTSA-N 2 2 348.491 3.083 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000568740611 459336952 /nfs/dbraw/zinc/33/69/52/459336952.db2.gz MUJIDMGNHGOFJU-SZMVWBNQSA-N 2 2 339.487 3.148 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCc4occc43)c2cc1C ZINC000568954216 459370296 /nfs/dbraw/zinc/37/02/96/459370296.db2.gz BNGSRURGZBMIOW-WBVHZDCISA-N 2 2 339.439 3.274 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)Cc3ccsc3)c2cc1C ZINC000560904499 459405244 /nfs/dbraw/zinc/40/52/44/459405244.db2.gz SJJMYONFSINKFM-DOTOQJQBSA-N 2 2 343.496 3.296 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000561291846 459440427 /nfs/dbraw/zinc/44/04/27/459440427.db2.gz HENQTXVFYQJHRX-KCZVDYSFSA-N 2 2 343.559 3.213 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000561291846 459440431 /nfs/dbraw/zinc/44/04/31/459440431.db2.gz HENQTXVFYQJHRX-KCZVDYSFSA-N 2 2 343.559 3.213 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH2+]C(C)C)nnn1-c1ccc(Cl)cc1 ZINC000582958692 459458234 /nfs/dbraw/zinc/45/82/34/459458234.db2.gz RHGBMJOJPFRYOT-ZDUSSCGKSA-N 2 2 335.883 3.268 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](CCCc3nc(-c4ccccc4)no3)C2)c[nH+]1 ZINC000591868331 459459934 /nfs/dbraw/zinc/45/99/34/459459934.db2.gz WTLNBEXFNQGJQE-KRWDZBQOSA-N 2 2 337.427 3.203 20 0 EGADLP c1cn([C@H]2CCC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)c[nH+]1 ZINC000591868331 459459940 /nfs/dbraw/zinc/45/99/40/459459940.db2.gz WTLNBEXFNQGJQE-KRWDZBQOSA-N 2 2 337.427 3.203 20 0 EGADLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735642 459485342 /nfs/dbraw/zinc/48/53/42/459485342.db2.gz ZSGVCMGHGQPUDN-SFTDATJTSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735642 459485346 /nfs/dbraw/zinc/48/53/46/459485346.db2.gz ZSGVCMGHGQPUDN-SFTDATJTSA-N 2 2 339.483 3.149 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000569791277 459509992 /nfs/dbraw/zinc/50/99/92/459509992.db2.gz JHRDXARWAJASKF-OXQOHEQNSA-N 2 2 337.467 3.189 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)c2[nH+]ccn21 ZINC000583307872 459517618 /nfs/dbraw/zinc/51/76/18/459517618.db2.gz BHBFRIOKDFMEFS-WBVHZDCISA-N 2 2 347.507 3.042 20 0 EGADLP Cc1cc(NC[C@@H](O)C[N@@H+](C)C2CC2)ccc1Oc1cc[nH+]cc1 ZINC000583560375 459559036 /nfs/dbraw/zinc/55/90/36/459559036.db2.gz IGVDFMJQBVAHGZ-QGZVFWFLSA-N 2 2 327.428 3.049 20 0 EGADLP Cc1cc(NC[C@@H](O)C[N@H+](C)C2CC2)ccc1Oc1cc[nH+]cc1 ZINC000583560375 459559042 /nfs/dbraw/zinc/55/90/42/459559042.db2.gz IGVDFMJQBVAHGZ-QGZVFWFLSA-N 2 2 327.428 3.049 20 0 EGADLP Cc1ccc(CCCNc2ccccc2C[NH+]2CCOCC2)c[nH+]1 ZINC000526973355 459568854 /nfs/dbraw/zinc/56/88/54/459568854.db2.gz HWJYIAQBCATXKK-UHFFFAOYSA-N 2 2 325.456 3.267 20 0 EGADLP Cc1cccc(C([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2cccc(C)c2)c1 ZINC000562992113 459688694 /nfs/dbraw/zinc/68/86/94/459688694.db2.gz SCYQNBHYTJQVQE-OAQYLSRUSA-N 2 2 338.495 3.438 20 0 EGADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000584240210 459690377 /nfs/dbraw/zinc/69/03/77/459690377.db2.gz ZVYGEWPFIQFRPL-HNNXBMFYSA-N 2 2 332.879 3.217 20 0 EGADLP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000584240210 459690382 /nfs/dbraw/zinc/69/03/82/459690382.db2.gz ZVYGEWPFIQFRPL-HNNXBMFYSA-N 2 2 332.879 3.217 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000573714302 459723986 /nfs/dbraw/zinc/72/39/86/459723986.db2.gz WBDCWPJNUAIZHD-DLBZAZTESA-N 2 2 344.421 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000573714302 459723991 /nfs/dbraw/zinc/72/39/91/459723991.db2.gz WBDCWPJNUAIZHD-DLBZAZTESA-N 2 2 344.421 3.073 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000573931351 459759588 /nfs/dbraw/zinc/75/95/88/459759588.db2.gz SBIDXLAXDHPFOW-UKRRQHHQSA-N 2 2 341.455 3.032 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000573931351 459759592 /nfs/dbraw/zinc/75/95/92/459759592.db2.gz SBIDXLAXDHPFOW-UKRRQHHQSA-N 2 2 341.455 3.032 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573931385 459759782 /nfs/dbraw/zinc/75/97/82/459759782.db2.gz TZJROSURCQDGAQ-VXGBXAGGSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573931385 459759785 /nfs/dbraw/zinc/75/97/85/459759785.db2.gz TZJROSURCQDGAQ-VXGBXAGGSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000566064139 459800496 /nfs/dbraw/zinc/80/04/96/459800496.db2.gz BAYVUHLOTBVDNA-YSSFQJQWSA-N 2 2 330.447 3.010 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC3 ZINC000545189077 459807715 /nfs/dbraw/zinc/80/77/15/459807715.db2.gz SWSXZCGAPOQRMD-MRXNPFEDSA-N 2 2 341.499 3.499 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000545309820 459823181 /nfs/dbraw/zinc/82/31/81/459823181.db2.gz JSLRYWKYTMUBQY-UHFFFAOYSA-N 2 2 326.444 3.465 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000545309820 459823182 /nfs/dbraw/zinc/82/31/82/459823182.db2.gz JSLRYWKYTMUBQY-UHFFFAOYSA-N 2 2 326.444 3.465 20 0 EGADLP Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000585749083 459840520 /nfs/dbraw/zinc/84/05/20/459840520.db2.gz SHCDXNYDXRTXMJ-GOSISDBHSA-N 2 2 333.439 3.350 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000609312787 459940966 /nfs/dbraw/zinc/94/09/66/459940966.db2.gz MHTUANFIKQVSKK-UHFFFAOYSA-N 2 2 333.391 3.175 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000609312787 459940975 /nfs/dbraw/zinc/94/09/75/459940975.db2.gz MHTUANFIKQVSKK-UHFFFAOYSA-N 2 2 333.391 3.175 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687143 459969029 /nfs/dbraw/zinc/96/90/29/459969029.db2.gz KPTRTAMHRPQALA-YJBOKZPZSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687143 459969032 /nfs/dbraw/zinc/96/90/32/459969032.db2.gz KPTRTAMHRPQALA-YJBOKZPZSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687143 459969035 /nfs/dbraw/zinc/96/90/35/459969035.db2.gz KPTRTAMHRPQALA-YJBOKZPZSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687143 459969037 /nfs/dbraw/zinc/96/90/37/459969037.db2.gz KPTRTAMHRPQALA-YJBOKZPZSA-N 2 2 348.437 3.451 20 0 EGADLP COC(=O)c1csc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000602665030 460054361 /nfs/dbraw/zinc/05/43/61/460054361.db2.gz XHUYUQZHCPNCLU-UHFFFAOYSA-N 2 2 347.484 3.424 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)[NH+](C)C)cc1 ZINC000576271931 460103981 /nfs/dbraw/zinc/10/39/81/460103981.db2.gz MHXGRYAYFQACEB-YYWHXJBOSA-N 2 2 326.484 3.352 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000576289562 460109779 /nfs/dbraw/zinc/10/97/79/460109779.db2.gz ILPLDWACOJIWJZ-WIYYLYMNSA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000576289562 460109781 /nfs/dbraw/zinc/10/97/81/460109781.db2.gz ILPLDWACOJIWJZ-WIYYLYMNSA-N 2 2 346.515 3.338 20 0 EGADLP Cn1nc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c2ccccc21 ZINC000589639628 460119554 /nfs/dbraw/zinc/11/95/54/460119554.db2.gz SZNOTDINWIYIEO-UHFFFAOYSA-N 2 2 331.423 3.108 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC(F)(F)CC3)c2cc1C ZINC000625768893 460256326 /nfs/dbraw/zinc/25/63/26/460256326.db2.gz WXUHTHQFYLXBNK-HNNXBMFYSA-N 2 2 337.414 3.135 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC(F)(F)CC3)c2cc1C ZINC000625768893 460256330 /nfs/dbraw/zinc/25/63/30/460256330.db2.gz WXUHTHQFYLXBNK-HNNXBMFYSA-N 2 2 337.414 3.135 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439351 460365701 /nfs/dbraw/zinc/36/57/01/460365701.db2.gz YSHUMNVZDSTMED-KDOFPFPSSA-N 2 2 330.472 3.214 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439351 460365704 /nfs/dbraw/zinc/36/57/04/460365704.db2.gz YSHUMNVZDSTMED-KDOFPFPSSA-N 2 2 330.472 3.214 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089391 460409190 /nfs/dbraw/zinc/40/91/90/460409190.db2.gz FYCOSOZYYXSKIN-UHFFFAOYSA-N 2 2 342.478 3.322 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000628476286 460430952 /nfs/dbraw/zinc/43/09/52/460430952.db2.gz RNQIONCKACFCAZ-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000631579469 460453881 /nfs/dbraw/zinc/45/38/81/460453881.db2.gz IQTMSBXPNKRYPE-PGRDOPGGSA-N 2 2 337.511 3.120 20 0 EGADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000631579469 460453885 /nfs/dbraw/zinc/45/38/85/460453885.db2.gz IQTMSBXPNKRYPE-PGRDOPGGSA-N 2 2 337.511 3.120 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000634678004 460471952 /nfs/dbraw/zinc/47/19/52/460471952.db2.gz FIKVLDIHOSWMSL-HKUYNNGSSA-N 2 2 332.488 3.379 20 0 EGADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCc2scnc21 ZINC000623879855 460759132 /nfs/dbraw/zinc/75/91/32/460759132.db2.gz PXTLXNRUPQUDAT-HNNXBMFYSA-N 2 2 331.485 3.251 20 0 EGADLP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876436 460761264 /nfs/dbraw/zinc/76/12/64/460761264.db2.gz YGPMISAQXGYIIY-SOLBZPMBSA-N 2 2 332.488 3.217 20 0 EGADLP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876436 460761271 /nfs/dbraw/zinc/76/12/71/460761271.db2.gz YGPMISAQXGYIIY-SOLBZPMBSA-N 2 2 332.488 3.217 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561570 460809376 /nfs/dbraw/zinc/80/93/76/460809376.db2.gz JMKGSYMFPYBPIB-CMPLNLGQSA-N 2 2 338.776 3.481 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629561570 460809382 /nfs/dbraw/zinc/80/93/82/460809382.db2.gz JMKGSYMFPYBPIB-CMPLNLGQSA-N 2 2 338.776 3.481 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657250 460850876 /nfs/dbraw/zinc/85/08/76/460850876.db2.gz VFMCYXXYCOJRPV-ZYHUDNBSSA-N 2 2 335.439 3.400 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657250 460850883 /nfs/dbraw/zinc/85/08/83/460850883.db2.gz VFMCYXXYCOJRPV-ZYHUDNBSSA-N 2 2 335.439 3.400 20 0 EGADLP C[NH+](C)CC1(C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)CC1 ZINC000636065124 461029320 /nfs/dbraw/zinc/02/93/20/461029320.db2.gz BWJZYOIKHNCPAU-UHFFFAOYSA-N 2 2 348.450 3.434 20 0 EGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000628187545 461040805 /nfs/dbraw/zinc/04/08/05/461040805.db2.gz SQNZHLNRNWJQSZ-LJQANCHMSA-N 2 2 326.488 3.371 20 0 EGADLP CCN(Cc1[nH]c(C)c(C)[nH+]1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628187545 461040811 /nfs/dbraw/zinc/04/08/11/461040811.db2.gz SQNZHLNRNWJQSZ-LJQANCHMSA-N 2 2 326.488 3.371 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+]CCc2cccc(C(F)(F)F)c2)CCSC1 ZINC000628225794 461054617 /nfs/dbraw/zinc/05/46/17/461054617.db2.gz NSVJJXUDRGVEJF-HNNXBMFYSA-N 2 2 332.435 3.275 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccsc1C(F)(F)F)CCO2 ZINC000628322656 461088120 /nfs/dbraw/zinc/08/81/20/461088120.db2.gz HGQLFQCDIGESCI-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccsc1C(F)(F)F)CCO2 ZINC000628322656 461088125 /nfs/dbraw/zinc/08/81/25/461088125.db2.gz HGQLFQCDIGESCI-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP COc1cc(Cl)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000637929831 461134814 /nfs/dbraw/zinc/13/48/14/461134814.db2.gz GVNYYVTYEMWFGC-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP COc1cc(Cl)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000637929831 461134819 /nfs/dbraw/zinc/13/48/19/461134819.db2.gz GVNYYVTYEMWFGC-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000637929831 461134825 /nfs/dbraw/zinc/13/48/25/461134825.db2.gz GVNYYVTYEMWFGC-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000637929831 461134833 /nfs/dbraw/zinc/13/48/33/461134833.db2.gz GVNYYVTYEMWFGC-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP C[NH+](C)CCN(Cc1c[nH+]c2n1CCC2)Cc1cccc(Cl)c1 ZINC000668159735 461145204 /nfs/dbraw/zinc/14/52/04/461145204.db2.gz FBHQKFBRUBDUEG-UHFFFAOYSA-N 2 2 332.879 3.047 20 0 EGADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)ccc1C ZINC000652356131 461150780 /nfs/dbraw/zinc/15/07/80/461150780.db2.gz SRSHBABBFROTLJ-CZUORRHYSA-N 2 2 344.459 3.003 20 0 EGADLP COc1cc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)ccc1C ZINC000652356131 461150791 /nfs/dbraw/zinc/15/07/91/461150791.db2.gz SRSHBABBFROTLJ-CZUORRHYSA-N 2 2 344.459 3.003 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668168765 461154478 /nfs/dbraw/zinc/15/44/78/461154478.db2.gz AOIWCABPYAFSJW-UHFFFAOYSA-N 2 2 343.397 3.110 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668168765 461154483 /nfs/dbraw/zinc/15/44/83/461154483.db2.gz AOIWCABPYAFSJW-UHFFFAOYSA-N 2 2 343.397 3.110 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364122 461156956 /nfs/dbraw/zinc/15/69/56/461156956.db2.gz YSGONTKKXGCKCY-WOPDTQHZSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364122 461156965 /nfs/dbraw/zinc/15/69/65/461156965.db2.gz YSGONTKKXGCKCY-WOPDTQHZSA-N 2 2 349.422 3.023 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649540679 461162321 /nfs/dbraw/zinc/16/23/21/461162321.db2.gz BFQVDZLRZRATQB-VQIMIIECSA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649540679 461162333 /nfs/dbraw/zinc/16/23/33/461162333.db2.gz BFQVDZLRZRATQB-VQIMIIECSA-N 2 2 337.458 3.128 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649596244 461205861 /nfs/dbraw/zinc/20/58/61/461205861.db2.gz OABZUMAILRHXAU-UHFFFAOYSA-N 2 2 335.455 3.325 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2[nH+]c1C(C)(C)C ZINC000655471559 461267368 /nfs/dbraw/zinc/26/73/68/461267368.db2.gz QRMRRCCINMFDIZ-JLTOFOAXSA-N 2 2 340.471 3.199 20 0 EGADLP CC(C)O[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702720 461290740 /nfs/dbraw/zinc/29/07/40/461290740.db2.gz LQFHQHQBSFYQOP-RTWAWAEBSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702720 461290747 /nfs/dbraw/zinc/29/07/47/461290747.db2.gz LQFHQHQBSFYQOP-RTWAWAEBSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702720 461290750 /nfs/dbraw/zinc/29/07/50/461290750.db2.gz LQFHQHQBSFYQOP-RTWAWAEBSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702720 461290753 /nfs/dbraw/zinc/29/07/53/461290753.db2.gz LQFHQHQBSFYQOP-RTWAWAEBSA-N 2 2 346.515 3.167 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180576 461292377 /nfs/dbraw/zinc/29/23/77/461292377.db2.gz WTJBKIVUBRIQFY-YOEHRIQHSA-N 2 2 331.410 3.429 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180576 461292381 /nfs/dbraw/zinc/29/23/81/461292381.db2.gz WTJBKIVUBRIQFY-YOEHRIQHSA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180576 461292389 /nfs/dbraw/zinc/29/23/89/461292389.db2.gz WTJBKIVUBRIQFY-YOEHRIQHSA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180576 461292392 /nfs/dbraw/zinc/29/23/92/461292392.db2.gz WTJBKIVUBRIQFY-YOEHRIQHSA-N 2 2 331.410 3.429 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c2ccccn21 ZINC000668476116 461297353 /nfs/dbraw/zinc/29/73/53/461297353.db2.gz YDPMMMIFOFNFQT-MRXNPFEDSA-N 2 2 348.450 3.135 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)ccc1F ZINC000649728627 461306988 /nfs/dbraw/zinc/30/69/88/461306988.db2.gz DSHPSSMTAHLFPD-VQIMIIECSA-N 2 2 330.447 3.278 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)ccc1F ZINC000649728627 461306992 /nfs/dbraw/zinc/30/69/92/461306992.db2.gz DSHPSSMTAHLFPD-VQIMIIECSA-N 2 2 330.447 3.278 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655693015 461365235 /nfs/dbraw/zinc/36/52/35/461365235.db2.gz YXKWDOKJVSKNIO-GOSISDBHSA-N 2 2 342.487 3.228 20 0 EGADLP CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630854887 461370297 /nfs/dbraw/zinc/37/02/97/461370297.db2.gz KOURPNREOPLJDJ-UHFFFAOYSA-N 2 2 326.444 3.023 20 0 EGADLP CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630854887 461370305 /nfs/dbraw/zinc/37/03/05/461370305.db2.gz KOURPNREOPLJDJ-UHFFFAOYSA-N 2 2 326.444 3.023 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000655698907 461370821 /nfs/dbraw/zinc/37/08/21/461370821.db2.gz YRJOHYRJKFRAEW-BBRMVZONSA-N 2 2 340.414 3.192 20 0 EGADLP CC(C)C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)n1cc[nH+]c1 ZINC000638334164 461375597 /nfs/dbraw/zinc/37/55/97/461375597.db2.gz WIJKHPXAMAGFBU-HNNXBMFYSA-N 2 2 347.488 3.033 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)C1 ZINC000668740297 461410020 /nfs/dbraw/zinc/41/00/20/461410020.db2.gz SRSAYGXVTIACAC-NRFANRHFSA-N 2 2 328.500 3.375 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)C1 ZINC000668740297 461410026 /nfs/dbraw/zinc/41/00/26/461410026.db2.gz SRSAYGXVTIACAC-NRFANRHFSA-N 2 2 328.500 3.375 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000638428965 461426082 /nfs/dbraw/zinc/42/60/82/461426082.db2.gz FUJZQWNAWURVFM-UHFFFAOYSA-N 2 2 326.868 3.408 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2O1 ZINC000655772159 461438464 /nfs/dbraw/zinc/43/84/64/461438464.db2.gz BMZYBYBYTMOITC-SZVBFZGTSA-N 2 2 330.472 3.132 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527347 461468028 /nfs/dbraw/zinc/46/80/28/461468028.db2.gz PQGUSWVYIHSVEJ-AZUAARDMSA-N 2 2 341.499 3.003 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527347 461468038 /nfs/dbraw/zinc/46/80/38/461468038.db2.gz PQGUSWVYIHSVEJ-AZUAARDMSA-N 2 2 341.499 3.003 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000653056885 461480124 /nfs/dbraw/zinc/48/01/24/461480124.db2.gz CQOZHPINIPOWBC-HNNXBMFYSA-N 2 2 329.469 3.055 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[C@@H]1[NH3+] ZINC000647011506 461482376 /nfs/dbraw/zinc/48/23/76/461482376.db2.gz GONVSBXGKVPHRV-KDOFPFPSSA-N 2 2 325.412 3.073 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000631035596 461487012 /nfs/dbraw/zinc/48/70/12/461487012.db2.gz MLCJJRFIOYSXBT-UHFFFAOYSA-N 2 2 326.868 3.321 20 0 EGADLP C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078006 461491093 /nfs/dbraw/zinc/49/10/93/461491093.db2.gz RJVJONJOUKGNSQ-YWZLYKJASA-N 2 2 339.483 3.171 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655848992 461495422 /nfs/dbraw/zinc/49/54/22/461495422.db2.gz NPJUUMMSEOFYPU-FGTMMUONSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655848992 461495429 /nfs/dbraw/zinc/49/54/29/461495429.db2.gz NPJUUMMSEOFYPU-FGTMMUONSA-N 2 2 330.472 3.298 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655849703 461496300 /nfs/dbraw/zinc/49/63/00/461496300.db2.gz YFESLIQABJFAEN-HOTGVXAUSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849703 461496304 /nfs/dbraw/zinc/49/63/04/461496304.db2.gz YFESLIQABJFAEN-HOTGVXAUSA-N 2 2 333.442 3.010 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655848375 461496385 /nfs/dbraw/zinc/49/63/85/461496385.db2.gz IIQYDJAAEHQRNK-IPELMVKDSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655848375 461496390 /nfs/dbraw/zinc/49/63/90/461496390.db2.gz IIQYDJAAEHQRNK-IPELMVKDSA-N 2 2 345.487 3.019 20 0 EGADLP Cc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCC(C)CC1 ZINC000653089414 461496487 /nfs/dbraw/zinc/49/64/87/461496487.db2.gz HCTJGFISSZPLMQ-LYBGUNNDSA-N 2 2 345.531 3.258 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1NC(C)=O ZINC000655849822 461496686 /nfs/dbraw/zinc/49/66/86/461496686.db2.gz ZAMCSBKOAKCHKN-POZUXBRTSA-N 2 2 345.487 3.321 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1NC(C)=O ZINC000655849822 461496691 /nfs/dbraw/zinc/49/66/91/461496691.db2.gz ZAMCSBKOAKCHKN-POZUXBRTSA-N 2 2 345.487 3.321 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849367 461496781 /nfs/dbraw/zinc/49/67/81/461496781.db2.gz UMUQUOJTCDCMOS-ZOCIIQOWSA-N 2 2 345.487 3.321 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849367 461496786 /nfs/dbraw/zinc/49/67/86/461496786.db2.gz UMUQUOJTCDCMOS-ZOCIIQOWSA-N 2 2 345.487 3.321 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)cn1 ZINC000655855311 461505010 /nfs/dbraw/zinc/50/50/10/461505010.db2.gz DYMLKTJLUDJHGK-RBUKOAKNSA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cn1 ZINC000655855311 461505016 /nfs/dbraw/zinc/50/50/16/461505016.db2.gz DYMLKTJLUDJHGK-RBUKOAKNSA-N 2 2 338.455 3.375 20 0 EGADLP Brc1cnccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000631062203 461515290 /nfs/dbraw/zinc/51/52/90/461515290.db2.gz QXYLLIBQIFVRAD-UHFFFAOYSA-N 2 2 335.249 3.221 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012889 461544606 /nfs/dbraw/zinc/54/46/06/461544606.db2.gz VKTVORAVIIKRML-IUODEOHRSA-N 2 2 328.378 3.343 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012889 461544615 /nfs/dbraw/zinc/54/46/15/461544615.db2.gz VKTVORAVIIKRML-IUODEOHRSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012889 461544624 /nfs/dbraw/zinc/54/46/24/461544624.db2.gz VKTVORAVIIKRML-IUODEOHRSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012889 461544630 /nfs/dbraw/zinc/54/46/30/461544630.db2.gz VKTVORAVIIKRML-IUODEOHRSA-N 2 2 328.378 3.343 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000666304708 461559008 /nfs/dbraw/zinc/55/90/08/461559008.db2.gz QLSQCELMYDDMRU-IBGZPJMESA-N 2 2 339.418 3.353 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000666304708 461559020 /nfs/dbraw/zinc/55/90/20/461559020.db2.gz QLSQCELMYDDMRU-IBGZPJMESA-N 2 2 339.418 3.353 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cn2cc[nH+]c12 ZINC000647221382 461571293 /nfs/dbraw/zinc/57/12/93/461571293.db2.gz WZQNHRYSOYKVEN-ZDUSSCGKSA-N 2 2 337.427 3.233 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cn2cc[nH+]c12 ZINC000647221382 461571304 /nfs/dbraw/zinc/57/13/04/461571304.db2.gz WZQNHRYSOYKVEN-ZDUSSCGKSA-N 2 2 337.427 3.233 20 0 EGADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000663346967 461576190 /nfs/dbraw/zinc/57/61/90/461576190.db2.gz YUPCISITAGJBCA-QGZVFWFLSA-N 2 2 326.488 3.268 20 0 EGADLP CCn1nc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000663346967 461576200 /nfs/dbraw/zinc/57/62/00/461576200.db2.gz YUPCISITAGJBCA-QGZVFWFLSA-N 2 2 326.488 3.268 20 0 EGADLP CC[C@@H](C)[C@@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)OC ZINC000638779559 461576188 /nfs/dbraw/zinc/57/61/88/461576188.db2.gz ORJFVNKJAZDKTE-CRAIPNDOSA-N 2 2 334.508 3.085 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(Br)o3)cn21 ZINC000647262363 461597486 /nfs/dbraw/zinc/59/74/86/461597486.db2.gz YLBHADGGQCSWRS-UHFFFAOYSA-N 2 2 334.217 3.331 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)CC(=O)Nc3ccccc3)cn21 ZINC000647262908 461599109 /nfs/dbraw/zinc/59/91/09/461599109.db2.gz YASKHECKRALFQC-OAHLLOKOSA-N 2 2 336.439 3.192 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643067091 461601219 /nfs/dbraw/zinc/60/12/19/461601219.db2.gz XWQZJJPEELAMAY-CJNGLKHVSA-N 2 2 328.378 3.158 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643067091 461601226 /nfs/dbraw/zinc/60/12/26/461601226.db2.gz XWQZJJPEELAMAY-CJNGLKHVSA-N 2 2 328.378 3.158 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000663381005 461603596 /nfs/dbraw/zinc/60/35/96/461603596.db2.gz DJFCOMFCLJGSML-HXUWFJFHSA-N 2 2 348.450 3.302 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202725 461635729 /nfs/dbraw/zinc/63/57/29/461635729.db2.gz UWOCWRQCFLGFCG-YOEHRIQHSA-N 2 2 328.447 3.343 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202725 461635736 /nfs/dbraw/zinc/63/57/36/461635736.db2.gz UWOCWRQCFLGFCG-YOEHRIQHSA-N 2 2 328.447 3.343 20 0 EGADLP CC[NH+](CC)CCCCNc1nc(C)[nH+]c(C)c1Br ZINC000663451065 461647262 /nfs/dbraw/zinc/64/72/62/461647262.db2.gz HEBZMSGRFUWXGH-UHFFFAOYSA-N 2 2 329.286 3.390 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)cn21 ZINC000647365082 461659250 /nfs/dbraw/zinc/65/92/50/461659250.db2.gz YWNADAUDCMKTOK-MRXNPFEDSA-N 2 2 346.438 3.117 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254111 461676618 /nfs/dbraw/zinc/67/66/18/461676618.db2.gz ASQVOCWHRRXPAI-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254111 461676627 /nfs/dbraw/zinc/67/66/27/461676627.db2.gz ASQVOCWHRRXPAI-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254111 461676636 /nfs/dbraw/zinc/67/66/36/461676636.db2.gz ASQVOCWHRRXPAI-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254111 461676642 /nfs/dbraw/zinc/67/66/42/461676642.db2.gz ASQVOCWHRRXPAI-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP Cn1c[nH+]cc1CCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000653505054 461681804 /nfs/dbraw/zinc/68/18/04/461681804.db2.gz WXNUQJPVPFIKNA-GHMZBOCLSA-N 2 2 343.315 3.415 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262583 461688511 /nfs/dbraw/zinc/68/85/11/461688511.db2.gz WKWPSTLYOJXLRJ-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262583 461688516 /nfs/dbraw/zinc/68/85/16/461688516.db2.gz WKWPSTLYOJXLRJ-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262583 461688522 /nfs/dbraw/zinc/68/85/22/461688522.db2.gz WKWPSTLYOJXLRJ-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262583 461688530 /nfs/dbraw/zinc/68/85/30/461688530.db2.gz WKWPSTLYOJXLRJ-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262584 461688940 /nfs/dbraw/zinc/68/89/40/461688940.db2.gz WKWPSTLYOJXLRJ-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262584 461688949 /nfs/dbraw/zinc/68/89/49/461688949.db2.gz WKWPSTLYOJXLRJ-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262584 461688958 /nfs/dbraw/zinc/68/89/58/461688958.db2.gz WKWPSTLYOJXLRJ-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262584 461688969 /nfs/dbraw/zinc/68/89/69/461688969.db2.gz WKWPSTLYOJXLRJ-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP CC[NH+](CC)C[C@H]1CCN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000663672271 461747509 /nfs/dbraw/zinc/74/75/09/461747509.db2.gz ZMSAFUXOFAEGQA-CYBMUJFWSA-N 2 2 341.297 3.024 20 0 EGADLP CC[N@@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@@H]1C ZINC000663649239 461734673 /nfs/dbraw/zinc/73/46/73/461734673.db2.gz DZCMJQGXXKCGJL-GWCFXTLKSA-N 2 2 341.297 3.165 20 0 EGADLP CC[N@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@@H]1C ZINC000663649239 461734681 /nfs/dbraw/zinc/73/46/81/461734681.db2.gz DZCMJQGXXKCGJL-GWCFXTLKSA-N 2 2 341.297 3.165 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498289 461737458 /nfs/dbraw/zinc/73/74/58/461737458.db2.gz DODAQTWFGKVILM-GUYCJALGSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498289 461737462 /nfs/dbraw/zinc/73/74/62/461737462.db2.gz DODAQTWFGKVILM-GUYCJALGSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000643506659 461748510 /nfs/dbraw/zinc/74/85/10/461748510.db2.gz DROGSUIJZDCNHF-PBHICJAKSA-N 2 2 336.451 3.176 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647533777 461750346 /nfs/dbraw/zinc/75/03/46/461750346.db2.gz XVKNAGMHFCATIY-XLIONFOSSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647533777 461750353 /nfs/dbraw/zinc/75/03/53/461750353.db2.gz XVKNAGMHFCATIY-XLIONFOSSA-N 2 2 332.451 3.209 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647542176 461754327 /nfs/dbraw/zinc/75/43/27/461754327.db2.gz LSQLWZLQCHUZFY-GJZGRUSLSA-N 2 2 332.394 3.483 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647542176 461754333 /nfs/dbraw/zinc/75/43/33/461754333.db2.gz LSQLWZLQCHUZFY-GJZGRUSLSA-N 2 2 332.394 3.483 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546152 461759162 /nfs/dbraw/zinc/75/91/62/461759162.db2.gz JQPAKSMPXGQJNY-RLLQIKCJSA-N 3 2 327.516 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546152 461759167 /nfs/dbraw/zinc/75/91/67/461759167.db2.gz JQPAKSMPXGQJNY-RLLQIKCJSA-N 3 2 327.516 3.161 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000631412721 461759637 /nfs/dbraw/zinc/75/96/37/461759637.db2.gz XVAWXSUBAVPPSI-SFHVURJKSA-N 2 2 338.455 3.167 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1 ZINC000656503623 461769736 /nfs/dbraw/zinc/76/97/36/461769736.db2.gz VANSWSCZGOARGU-SFHVURJKSA-N 2 2 333.439 3.161 20 0 EGADLP Cc1cccc(CN(CC[NH+](C)C)[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000639172281 461780515 /nfs/dbraw/zinc/78/05/15/461780515.db2.gz KUDOFVVPEUMCNZ-IBGZPJMESA-N 2 2 326.488 3.243 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000639178492 461785079 /nfs/dbraw/zinc/78/50/79/461785079.db2.gz KEIKGBVMBKVWCZ-FQEVSTJZSA-N 2 2 338.499 3.468 20 0 EGADLP CC(=O)Nc1cccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000639179588 461786179 /nfs/dbraw/zinc/78/61/79/461786179.db2.gz ULMOWIOADOOMIV-UHFFFAOYSA-N 2 2 341.455 3.334 20 0 EGADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1Br ZINC000666768505 461795863 /nfs/dbraw/zinc/79/58/63/461795863.db2.gz HTMDFZFLRGJOCZ-LLVKDONJSA-N 2 2 349.219 3.282 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770368 461795877 /nfs/dbraw/zinc/79/58/77/461795877.db2.gz WIPASTAPSJSTGU-MRXNPFEDSA-N 2 2 332.879 3.374 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222043 461811062 /nfs/dbraw/zinc/81/10/62/461811062.db2.gz OCBAHSDKIZUGNV-RDJZCZTQSA-N 2 2 328.485 3.304 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222043 461811068 /nfs/dbraw/zinc/81/10/68/461811068.db2.gz OCBAHSDKIZUGNV-RDJZCZTQSA-N 2 2 328.485 3.304 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c(=O)c1 ZINC000663825829 461824718 /nfs/dbraw/zinc/82/47/18/461824718.db2.gz JEMYUMLQRKRPFU-UHFFFAOYSA-N 2 2 344.499 3.326 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647814432 461848321 /nfs/dbraw/zinc/84/83/21/461848321.db2.gz NVMYUWOBWBWEBB-FQEVSTJZSA-N 2 2 343.515 3.106 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647814432 461848329 /nfs/dbraw/zinc/84/83/29/461848329.db2.gz NVMYUWOBWBWEBB-FQEVSTJZSA-N 2 2 343.515 3.106 20 0 EGADLP C[N@@H+](CCC[NH3+])Cc1csc(-c2ccc(Br)cc2)n1 ZINC000647847396 461857615 /nfs/dbraw/zinc/85/76/15/461857615.db2.gz OSAZFQGGRWNAML-UHFFFAOYSA-N 2 2 340.290 3.353 20 0 EGADLP C[N@H+](CCC[NH3+])Cc1csc(-c2ccc(Br)cc2)n1 ZINC000647847396 461857608 /nfs/dbraw/zinc/85/76/08/461857608.db2.gz OSAZFQGGRWNAML-UHFFFAOYSA-N 2 2 340.290 3.353 20 0 EGADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCC[NH3+] ZINC000647849486 461857973 /nfs/dbraw/zinc/85/79/73/461857973.db2.gz VJWPRWRTVFBKGX-JTQLQIEISA-N 2 2 328.338 3.097 20 0 EGADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCC[NH3+] ZINC000647849486 461857980 /nfs/dbraw/zinc/85/79/80/461857980.db2.gz VJWPRWRTVFBKGX-JTQLQIEISA-N 2 2 328.338 3.097 20 0 EGADLP Fc1cccc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)c1 ZINC000647860054 461862832 /nfs/dbraw/zinc/86/28/32/461862832.db2.gz MPXXAYXGTHPSSL-GOSISDBHSA-N 2 2 340.402 3.187 20 0 EGADLP Fc1ccc(Br)cc1C[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647874911 461867030 /nfs/dbraw/zinc/86/70/30/461867030.db2.gz IZEKUDSLNWNBFE-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(Br)cc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647874911 461867037 /nfs/dbraw/zinc/86/70/37/461867037.db2.gz IZEKUDSLNWNBFE-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP CSc1ccc([C@H](CNc2cc(CO)cc(C)[nH+]2)[NH+](C)C)cc1 ZINC000663944478 461882349 /nfs/dbraw/zinc/88/23/49/461882349.db2.gz JGLQJOUXVPHLHM-KRWDZBQOSA-N 2 2 331.485 3.319 20 0 EGADLP CCCCn1c(SCc2ccc[nH+]c2N)nnc1[C@@H](CC)[NH+](C)C ZINC000663954307 461886059 /nfs/dbraw/zinc/88/60/59/461886059.db2.gz NPURHBNTKILQTO-CQSZACIVSA-N 2 2 348.520 3.360 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1cccc2ccccc21 ZINC000647925253 461888899 /nfs/dbraw/zinc/88/88/99/461888899.db2.gz ADXULJFZRZKNGN-HOTGVXAUSA-N 2 2 339.483 3.219 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647937967 461896524 /nfs/dbraw/zinc/89/65/24/461896524.db2.gz FWRAYGPNODKRRZ-OUCADQQQSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647937967 461896528 /nfs/dbraw/zinc/89/65/28/461896528.db2.gz FWRAYGPNODKRRZ-OUCADQQQSA-N 2 2 343.393 3.092 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653760 461905085 /nfs/dbraw/zinc/90/50/85/461905085.db2.gz AHNZRAXNZMMTIE-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653760 461905090 /nfs/dbraw/zinc/90/50/90/461905090.db2.gz AHNZRAXNZMMTIE-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660653760 461905093 /nfs/dbraw/zinc/90/50/93/461905093.db2.gz AHNZRAXNZMMTIE-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660653760 461905095 /nfs/dbraw/zinc/90/50/95/461905095.db2.gz AHNZRAXNZMMTIE-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656975 461908593 /nfs/dbraw/zinc/90/85/93/461908593.db2.gz YZWXAPSSAWOVHU-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656975 461908596 /nfs/dbraw/zinc/90/85/96/461908596.db2.gz YZWXAPSSAWOVHU-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656975 461908601 /nfs/dbraw/zinc/90/86/01/461908601.db2.gz YZWXAPSSAWOVHU-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656975 461908606 /nfs/dbraw/zinc/90/86/06/461908606.db2.gz YZWXAPSSAWOVHU-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650717904 461909425 /nfs/dbraw/zinc/90/94/25/461909425.db2.gz QJNKVRFPNOHMFE-FOIQADDNSA-N 3 2 333.495 3.417 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970912 461913392 /nfs/dbraw/zinc/91/33/92/461913392.db2.gz LMHSYQBDIVOOER-PBHICJAKSA-N 2 2 330.875 3.467 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970912 461913397 /nfs/dbraw/zinc/91/33/97/461913397.db2.gz LMHSYQBDIVOOER-PBHICJAKSA-N 2 2 330.875 3.467 20 0 EGADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679385 461922831 /nfs/dbraw/zinc/92/28/31/461922831.db2.gz OVEHLWOATDBUAX-SFHVURJKSA-N 2 2 345.531 3.134 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000660697379 461928936 /nfs/dbraw/zinc/92/89/36/461928936.db2.gz YYPLKDVGLDHOOX-LJQANCHMSA-N 2 2 334.479 3.276 20 0 EGADLP [NH3+][C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1F ZINC000667051237 461929416 /nfs/dbraw/zinc/92/94/16/461929416.db2.gz SZFLHWQKIONGOP-DKSSEZFCSA-N 2 2 326.415 3.119 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1F ZINC000667051237 461929422 /nfs/dbraw/zinc/92/94/22/461929422.db2.gz SZFLHWQKIONGOP-DKSSEZFCSA-N 2 2 326.415 3.119 20 0 EGADLP FC(F)(F)c1ccccc1-c1nc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000639457297 461934198 /nfs/dbraw/zinc/93/41/98/461934198.db2.gz SKKKXHYCLNQNHG-VXGBXAGGSA-N 2 2 337.345 3.012 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccnn2CC(C)C)CC1 ZINC000648028918 461949166 /nfs/dbraw/zinc/94/91/66/461949166.db2.gz MEMCETUGFDMAAX-UHFFFAOYSA-N 2 2 328.460 3.286 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]C2(Cc3ccccc3)CCOCC2)C1 ZINC000660753206 461954283 /nfs/dbraw/zinc/95/42/83/461954283.db2.gz UUNXOEXVAYGROU-KDURUIRLSA-N 2 2 330.516 3.346 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]C2(Cc3ccccc3)CCOCC2)C1 ZINC000660753206 461954289 /nfs/dbraw/zinc/95/42/89/461954289.db2.gz UUNXOEXVAYGROU-KDURUIRLSA-N 2 2 330.516 3.346 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000644551008 461981964 /nfs/dbraw/zinc/98/19/64/461981964.db2.gz ZZTSYFBIUXHQFK-IXDOHACOSA-N 2 2 342.405 3.087 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000644551008 461981971 /nfs/dbraw/zinc/98/19/71/461981971.db2.gz ZZTSYFBIUXHQFK-IXDOHACOSA-N 2 2 342.405 3.087 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856603 461996522 /nfs/dbraw/zinc/99/65/22/461996522.db2.gz QGLOJBQFXNZKOH-KRWDZBQOSA-N 3 2 326.488 3.302 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856603 461996527 /nfs/dbraw/zinc/99/65/27/461996527.db2.gz QGLOJBQFXNZKOH-KRWDZBQOSA-N 3 2 326.488 3.302 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644623564 462015316 /nfs/dbraw/zinc/01/53/16/462015316.db2.gz CVIMRYDFWPHHFL-SFHVURJKSA-N 2 2 338.451 3.324 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644623564 462015318 /nfs/dbraw/zinc/01/53/18/462015318.db2.gz CVIMRYDFWPHHFL-SFHVURJKSA-N 2 2 338.451 3.324 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000657285400 462018581 /nfs/dbraw/zinc/01/85/81/462018581.db2.gz BYNUAZJBJFCPFN-QGZVFWFLSA-N 2 2 330.501 3.286 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3nccnc3C)C2)s1 ZINC000639632584 462029494 /nfs/dbraw/zinc/02/94/94/462029494.db2.gz DIVPPJPRMJLGMY-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3nccnc3C)C2)s1 ZINC000639632584 462029497 /nfs/dbraw/zinc/02/94/97/462029497.db2.gz DIVPPJPRMJLGMY-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3nccnc3C)C2)s1 ZINC000639632584 462029505 /nfs/dbraw/zinc/02/95/05/462029505.db2.gz DIVPPJPRMJLGMY-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3nccnc3C)C2)s1 ZINC000639632584 462029511 /nfs/dbraw/zinc/02/95/11/462029511.db2.gz DIVPPJPRMJLGMY-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP CCCn1nccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657310228 462035048 /nfs/dbraw/zinc/03/50/48/462035048.db2.gz XERQOFWSORUSKB-UHFFFAOYSA-N 2 2 326.488 3.090 20 0 EGADLP COCc1csc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657318628 462042311 /nfs/dbraw/zinc/04/23/11/462042311.db2.gz LSUXSOAVSHGTSO-UHFFFAOYSA-N 2 2 331.485 3.044 20 0 EGADLP CC(C)COc1cccc(C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000639659662 462044418 /nfs/dbraw/zinc/04/44/18/462044418.db2.gz BBOWVHYDAVARMQ-UHFFFAOYSA-N 2 2 334.504 3.046 20 0 EGADLP C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682901 462055652 /nfs/dbraw/zinc/05/56/52/462055652.db2.gz CXYFTSRBVGMNNK-MRXNPFEDSA-N 2 2 349.438 3.405 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684384 462056460 /nfs/dbraw/zinc/05/64/60/462056460.db2.gz UMWCVUVFDORBFH-UHFFFAOYSA-N 3 2 347.466 3.288 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684384 462056466 /nfs/dbraw/zinc/05/64/66/462056466.db2.gz UMWCVUVFDORBFH-UHFFFAOYSA-N 3 2 347.466 3.288 20 0 EGADLP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843036 462102137 /nfs/dbraw/zinc/10/21/37/462102137.db2.gz CHCRIVPVVALCHW-OXQOHEQNSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843036 462102143 /nfs/dbraw/zinc/10/21/43/462102143.db2.gz CHCRIVPVVALCHW-OXQOHEQNSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000644843036 462102149 /nfs/dbraw/zinc/10/21/49/462102149.db2.gz CHCRIVPVVALCHW-OXQOHEQNSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000644843036 462102154 /nfs/dbraw/zinc/10/21/54/462102154.db2.gz CHCRIVPVVALCHW-OXQOHEQNSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667563290 462145876 /nfs/dbraw/zinc/14/58/76/462145876.db2.gz YXTZCEJRBGQUAV-MRXNPFEDSA-N 2 2 336.483 3.245 20 0 EGADLP c1[nH+]c2n(c1C[NH+]1CCC(c3nc(-c4ccccc4)no3)CC1)CCC2 ZINC000667600129 462166306 /nfs/dbraw/zinc/16/63/06/462166306.db2.gz LTZHGFUWQJYJCQ-UHFFFAOYSA-N 2 2 349.438 3.259 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)[nH+]1 ZINC000667614833 462174173 /nfs/dbraw/zinc/17/41/73/462174173.db2.gz IAVBXHXVZLGZEU-SJORKVTESA-N 2 2 330.476 3.250 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)c2c1C ZINC000645147232 462201350 /nfs/dbraw/zinc/20/13/50/462201350.db2.gz ABVKPZMBZBJLRT-CYBMUJFWSA-N 2 2 338.459 3.496 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000639987196 462207792 /nfs/dbraw/zinc/20/77/92/462207792.db2.gz YRKLHZTUIMVBMV-UHFFFAOYSA-N 2 2 347.547 3.260 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000639988641 462207887 /nfs/dbraw/zinc/20/78/87/462207887.db2.gz WIGXSNYPGRAVBE-SFHVURJKSA-N 2 2 335.536 3.118 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661376739 462223723 /nfs/dbraw/zinc/22/37/23/462223723.db2.gz GCNWNVPLDKQADG-UHFFFAOYSA-N 2 2 339.270 3.092 20 0 EGADLP O=C(C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1 ZINC000667708004 462224614 /nfs/dbraw/zinc/22/46/14/462224614.db2.gz PJFBNHBDGSDBGU-INIZCTEOSA-N 2 2 327.403 3.206 20 0 EGADLP O=C(C[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1 ZINC000667708004 462224615 /nfs/dbraw/zinc/22/46/15/462224615.db2.gz PJFBNHBDGSDBGU-INIZCTEOSA-N 2 2 327.403 3.206 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647298 462288000 /nfs/dbraw/zinc/28/80/00/462288000.db2.gz KNSSSJOZZQBQJP-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647298 462288003 /nfs/dbraw/zinc/28/80/03/462288003.db2.gz KNSSSJOZZQBQJP-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647298 462288008 /nfs/dbraw/zinc/28/80/08/462288008.db2.gz KNSSSJOZZQBQJP-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647298 462288012 /nfs/dbraw/zinc/28/80/12/462288012.db2.gz KNSSSJOZZQBQJP-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000657877798 462305206 /nfs/dbraw/zinc/30/52/06/462305206.db2.gz DRZLJEFMWFHCAC-OPYAIIAOSA-N 2 2 331.548 3.213 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000657877798 462305213 /nfs/dbraw/zinc/30/52/13/462305213.db2.gz DRZLJEFMWFHCAC-OPYAIIAOSA-N 2 2 331.548 3.213 20 0 EGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641582 462343500 /nfs/dbraw/zinc/34/35/00/462343500.db2.gz DFTWCFISOJEAEN-DOMZBBRYSA-N 2 2 331.287 3.443 20 0 EGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641582 462343502 /nfs/dbraw/zinc/34/35/02/462343502.db2.gz DFTWCFISOJEAEN-DOMZBBRYSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641582 462343505 /nfs/dbraw/zinc/34/35/05/462343505.db2.gz DFTWCFISOJEAEN-DOMZBBRYSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641582 462343508 /nfs/dbraw/zinc/34/35/08/462343508.db2.gz DFTWCFISOJEAEN-DOMZBBRYSA-N 2 2 331.287 3.443 20 0 EGADLP COc1cccc(CC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000667968204 462352234 /nfs/dbraw/zinc/35/22/34/462352234.db2.gz JDQAFMMYGPQGQV-UHFFFAOYSA-N 2 2 325.456 3.293 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](OC)C2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665275719 462380121 /nfs/dbraw/zinc/38/01/21/462380121.db2.gz PVCZYVUEIAJNNT-AQNXPRMDSA-N 2 2 332.488 3.283 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000665295667 462390433 /nfs/dbraw/zinc/39/04/33/462390433.db2.gz HLWVQQLWONLOER-BHDSKKPTSA-N 2 2 329.307 3.430 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000645805537 462432360 /nfs/dbraw/zinc/43/23/60/462432360.db2.gz UHRMHTNCSUGESG-QGZVFWFLSA-N 2 2 338.373 3.449 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287543 462457608 /nfs/dbraw/zinc/45/76/08/462457608.db2.gz IZJGFHRXGMMGOM-YJBOKZPZSA-N 2 2 332.492 3.351 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287543 462457613 /nfs/dbraw/zinc/45/76/13/462457613.db2.gz IZJGFHRXGMMGOM-YJBOKZPZSA-N 2 2 332.492 3.351 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295406 462461925 /nfs/dbraw/zinc/46/19/25/462461925.db2.gz SDUPSNXHDVNJFD-CZUORRHYSA-N 2 2 337.533 3.479 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000658296510 462462763 /nfs/dbraw/zinc/46/27/63/462462763.db2.gz SWFBOGYKDAXCSR-OXQOHEQNSA-N 2 2 348.462 3.128 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655083735 462476993 /nfs/dbraw/zinc/47/69/93/462476993.db2.gz DJNCZUWPKSAQEP-MRXNPFEDSA-N 2 2 337.427 3.227 20 0 EGADLP COc1ccc(C[C@](C)([NH3+])CNc2nc(C)[nH+]c3c2CCCC3)cc1 ZINC000542948894 468391103 /nfs/dbraw/zinc/39/11/03/468391103.db2.gz GDMNRNXKFIAXHQ-FQEVSTJZSA-N 2 2 340.471 3.044 20 0 EGADLP C[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000187802638 534084670 /nfs/dbraw/zinc/08/46/70/534084670.db2.gz QRDZWOYHFFCUQO-YJBOKZPZSA-N 2 2 330.451 3.350 20 0 EGADLP CCC(CC)[C@@H](C[NH2+]CCCc1c[nH+]ccc1C)N1CCOCC1 ZINC000347928367 535107437 /nfs/dbraw/zinc/10/74/37/535107437.db2.gz VYMDIHLPQVRPTG-HXUWFJFHSA-N 2 2 333.520 3.049 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)s1 ZINC000347884154 536055011 /nfs/dbraw/zinc/05/50/11/536055011.db2.gz RAEUNEKAHDCMOP-OAHLLOKOSA-N 2 2 333.476 3.408 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)s1 ZINC000347884154 536055013 /nfs/dbraw/zinc/05/50/13/536055013.db2.gz RAEUNEKAHDCMOP-OAHLLOKOSA-N 2 2 333.476 3.408 20 0 EGADLP COC[C@@H]1CCCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000344900703 536741228 /nfs/dbraw/zinc/74/12/28/536741228.db2.gz XPFBDBNVFPRJAY-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@@H]1CCCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000344900703 536741229 /nfs/dbraw/zinc/74/12/29/536741229.db2.gz XPFBDBNVFPRJAY-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@@H]1CCCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000344900703 536741240 /nfs/dbraw/zinc/74/12/40/536741240.db2.gz XPFBDBNVFPRJAY-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@@H]1CCCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000344900703 536741249 /nfs/dbraw/zinc/74/12/49/536741249.db2.gz XPFBDBNVFPRJAY-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP C[C@@H]1C[C@@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230914 546598623 /nfs/dbraw/zinc/59/86/23/546598623.db2.gz MBRNWIPSHVHWPN-AEFFLSMTSA-N 2 2 348.454 3.127 20 0 EGADLP C[C@@H]1C[C@@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@H+]1Cc1ccccc1 ZINC000080230914 546598630 /nfs/dbraw/zinc/59/86/30/546598630.db2.gz MBRNWIPSHVHWPN-AEFFLSMTSA-N 2 2 348.454 3.127 20 0 EGADLP Fc1ccccc1-c1cnc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000151173485 546851162 /nfs/dbraw/zinc/85/11/62/546851162.db2.gz HUMRZXSVXALQKA-UHFFFAOYSA-N 2 2 338.386 3.198 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccccc1Cl ZINC000166698427 546990281 /nfs/dbraw/zinc/99/02/81/546990281.db2.gz XIYDARVDSHVCSV-BFYDXBDKSA-N 2 2 347.890 3.052 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccccc1Cl ZINC000166698427 546990286 /nfs/dbraw/zinc/99/02/86/546990286.db2.gz XIYDARVDSHVCSV-BFYDXBDKSA-N 2 2 347.890 3.052 20 0 EGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000180591414 547059072 /nfs/dbraw/zinc/05/90/72/547059072.db2.gz MHLGZMQPVSHAGC-HZPDHXFCSA-N 2 2 342.487 3.269 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074889 547568224 /nfs/dbraw/zinc/56/82/24/547568224.db2.gz MPAKTDGQQADNSE-UXHICEINSA-N 3 2 331.479 3.007 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074889 547568227 /nfs/dbraw/zinc/56/82/27/547568227.db2.gz MPAKTDGQQADNSE-UXHICEINSA-N 3 2 331.479 3.007 20 0 EGADLP C[C@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282419 547574077 /nfs/dbraw/zinc/57/40/77/547574077.db2.gz SNBVJTHTWHXMDF-IRXDYDNUSA-N 2 2 340.471 3.314 20 0 EGADLP C[C@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282419 547574081 /nfs/dbraw/zinc/57/40/81/547574081.db2.gz SNBVJTHTWHXMDF-IRXDYDNUSA-N 2 2 340.471 3.314 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000352256413 547682054 /nfs/dbraw/zinc/68/20/54/547682054.db2.gz IXUVETCEHWNHTA-RYUDHWBXSA-N 2 2 347.322 3.100 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cscc2Br)C[C@@H](C)O1 ZINC000352256415 547682283 /nfs/dbraw/zinc/68/22/83/547682283.db2.gz IXUVETCEHWNHTA-VXGBXAGGSA-N 2 2 347.322 3.100 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCN(c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000440678727 547912134 /nfs/dbraw/zinc/91/21/34/547912134.db2.gz ZNACXPPGVILZHM-INIZCTEOSA-N 2 2 340.471 3.203 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCN(c2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000440678727 547912140 /nfs/dbraw/zinc/91/21/40/547912140.db2.gz ZNACXPPGVILZHM-INIZCTEOSA-N 2 2 340.471 3.203 20 0 EGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987669 548244638 /nfs/dbraw/zinc/24/46/38/548244638.db2.gz ZSUVKZDHFMNLAM-JKSUJKDBSA-N 2 2 329.444 3.076 20 0 EGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987669 548244640 /nfs/dbraw/zinc/24/46/40/548244640.db2.gz ZSUVKZDHFMNLAM-JKSUJKDBSA-N 2 2 329.444 3.076 20 0 EGADLP CCn1ccc(C[N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000671689503 548334476 /nfs/dbraw/zinc/33/44/76/548334476.db2.gz MDRYUSNCENVYSV-UHFFFAOYSA-N 2 2 340.515 3.152 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000674880645 548821130 /nfs/dbraw/zinc/82/11/30/548821130.db2.gz SGZHEPKHLXKKJY-HRAATJIYSA-N 2 2 337.467 3.255 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000674880645 548821134 /nfs/dbraw/zinc/82/11/34/548821134.db2.gz SGZHEPKHLXKKJY-HRAATJIYSA-N 2 2 337.467 3.255 20 0 EGADLP Clc1cccc2c1OC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000675748330 548973551 /nfs/dbraw/zinc/97/35/51/548973551.db2.gz XOWJWCUBPVMNGV-MRXNPFEDSA-N 2 2 329.831 3.427 20 0 EGADLP O[C@@]1(C[NH2+][C@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000675898028 548999599 /nfs/dbraw/zinc/99/95/99/548999599.db2.gz DIGKJGJVRGUZFZ-AZUAARDMSA-N 2 2 340.492 3.060 20 0 EGADLP O[C@@]1(C[NH2+][C@H]2CSc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898028 548999605 /nfs/dbraw/zinc/99/96/05/548999605.db2.gz DIGKJGJVRGUZFZ-AZUAARDMSA-N 2 2 340.492 3.060 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477751 549094191 /nfs/dbraw/zinc/09/41/91/549094191.db2.gz NJJWKLXXTXRWTD-RTBURBONSA-N 2 2 340.471 3.178 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477751 549094196 /nfs/dbraw/zinc/09/41/96/549094196.db2.gz NJJWKLXXTXRWTD-RTBURBONSA-N 2 2 340.471 3.178 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000677440176 549272185 /nfs/dbraw/zinc/27/21/85/549272185.db2.gz KTXIFICVURBLIU-CQSZACIVSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000677440176 549272188 /nfs/dbraw/zinc/27/21/88/549272188.db2.gz KTXIFICVURBLIU-CQSZACIVSA-N 2 2 332.835 3.121 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1OC ZINC000678235091 549435843 /nfs/dbraw/zinc/43/58/43/549435843.db2.gz CVBWBQDVCSPGSM-AWEZNQCLSA-N 2 2 335.835 3.391 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1OC ZINC000678235091 549435849 /nfs/dbraw/zinc/43/58/49/549435849.db2.gz CVBWBQDVCSPGSM-AWEZNQCLSA-N 2 2 335.835 3.391 20 0 EGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678257072 549446523 /nfs/dbraw/zinc/44/65/23/549446523.db2.gz NYZHFNRCGHUBRM-SFHVURJKSA-N 2 2 335.923 3.169 20 0 EGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678257072 549446527 /nfs/dbraw/zinc/44/65/27/549446527.db2.gz NYZHFNRCGHUBRM-SFHVURJKSA-N 2 2 335.923 3.169 20 0 EGADLP COc1ccc([C@@H](CNc2cc[nH+]cc2F)[NH+]2CCCCC2)cc1 ZINC000678789315 549562031 /nfs/dbraw/zinc/56/20/31/549562031.db2.gz XRUFZJSIAMNTLA-LJQANCHMSA-N 2 2 329.419 3.290 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000679212054 549657985 /nfs/dbraw/zinc/65/79/85/549657985.db2.gz AGBNLHPCEFVOEC-HOTGVXAUSA-N 2 2 349.434 3.155 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679327391 549688740 /nfs/dbraw/zinc/68/87/40/549688740.db2.gz KFNUCJUJMQNOPI-MJGOQNOKSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327391 549688744 /nfs/dbraw/zinc/68/87/44/549688744.db2.gz KFNUCJUJMQNOPI-MJGOQNOKSA-N 2 2 326.488 3.464 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)on2)cc1 ZINC000680074551 549816290 /nfs/dbraw/zinc/81/62/90/549816290.db2.gz UOGVFARODAPFEG-UHFFFAOYSA-N 2 2 341.455 3.410 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC4(CCC[N@H+]4C)CC3)on2)cc1 ZINC000680074551 549816293 /nfs/dbraw/zinc/81/62/93/549816293.db2.gz UOGVFARODAPFEG-UHFFFAOYSA-N 2 2 341.455 3.410 20 0 EGADLP CCC(=O)N1CCC([NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000681108826 549955224 /nfs/dbraw/zinc/95/52/24/549955224.db2.gz LRFYPZHKBADRHM-FQEVSTJZSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(=O)N1CCC([NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000681108826 549955226 /nfs/dbraw/zinc/95/52/26/549955226.db2.gz LRFYPZHKBADRHM-FQEVSTJZSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682907963 550162593 /nfs/dbraw/zinc/16/25/93/550162593.db2.gz ZPLCSGAMMZKZOV-SUMWQHHRSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000682907963 550162596 /nfs/dbraw/zinc/16/25/96/550162596.db2.gz ZPLCSGAMMZKZOV-SUMWQHHRSA-N 2 2 337.305 3.454 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000684958178 550388462 /nfs/dbraw/zinc/38/84/62/550388462.db2.gz USWMNEQSYVYWMH-CQSZACIVSA-N 2 2 344.421 3.337 20 0 EGADLP CN(Cc1ccsc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457191 550418914 /nfs/dbraw/zinc/41/89/14/550418914.db2.gz JHDXJRCKWZLVDY-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP CN(Cc1ccsc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457191 550418917 /nfs/dbraw/zinc/41/89/17/550418917.db2.gz JHDXJRCKWZLVDY-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470452 550421220 /nfs/dbraw/zinc/42/12/20/550421220.db2.gz QDNWFEIAIFIMOU-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470452 550421222 /nfs/dbraw/zinc/42/12/22/550421222.db2.gz QDNWFEIAIFIMOU-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470452 550421223 /nfs/dbraw/zinc/42/12/23/550421223.db2.gz QDNWFEIAIFIMOU-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470452 550421225 /nfs/dbraw/zinc/42/12/25/550421225.db2.gz QDNWFEIAIFIMOU-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000685876765 550451060 /nfs/dbraw/zinc/45/10/60/550451060.db2.gz ROZCFFPCVBSACF-SFHVURJKSA-N 2 2 340.471 3.332 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796472 574572052 /nfs/dbraw/zinc/57/20/52/574572052.db2.gz AXQVJHWWFXTZOV-AZUAARDMSA-N 2 2 342.483 3.229 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796472 574572053 /nfs/dbraw/zinc/57/20/53/574572053.db2.gz AXQVJHWWFXTZOV-AZUAARDMSA-N 2 2 342.483 3.229 20 0 EGADLP c1ccc([C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCC2)cc1 ZINC000733185382 575317723 /nfs/dbraw/zinc/31/77/23/575317723.db2.gz TWPBRNMMCUDUQR-GOSISDBHSA-N 2 2 337.471 3.326 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC000734509346 575504856 /nfs/dbraw/zinc/50/48/56/575504856.db2.gz HLIUJPXGQKFTLQ-FUHWJXTLSA-N 2 2 344.430 3.347 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000734509346 575504859 /nfs/dbraw/zinc/50/48/59/575504859.db2.gz HLIUJPXGQKFTLQ-FUHWJXTLSA-N 2 2 344.430 3.347 20 0 EGADLP O[C@@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCCC1 ZINC000678683043 576168750 /nfs/dbraw/zinc/16/87/50/576168750.db2.gz KKQLNSROBMJEFU-FXAWDEMLSA-N 2 2 334.479 3.493 20 0 EGADLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OCc1ccccc1 ZINC000060831220 1291946342 /nfs/dbraw/zinc/94/63/42/1291946342.db2.gz JKGJWICEKULSPU-UHFFFAOYSA-N 2 2 337.423 3.261 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063548742 1292015944 /nfs/dbraw/zinc/01/59/44/1292015944.db2.gz JEACMLJGTGXLGE-UHFFFAOYSA-N 2 2 327.407 3.322 20 0 EGADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090004327 1292783201 /nfs/dbraw/zinc/78/32/01/1292783201.db2.gz GLPIHFFUNCVPHS-GOSISDBHSA-N 2 2 327.472 3.370 20 0 EGADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090004327 1292783205 /nfs/dbraw/zinc/78/32/05/1292783205.db2.gz GLPIHFFUNCVPHS-GOSISDBHSA-N 2 2 327.472 3.370 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000103342809 1293003651 /nfs/dbraw/zinc/00/36/51/1293003651.db2.gz NSKHLOOZTCLKPT-UHFFFAOYSA-N 2 2 325.456 3.158 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cnc2Cl)[C@@H](C)C1 ZINC000834841550 1293156671 /nfs/dbraw/zinc/15/66/71/1293156671.db2.gz WVDSMRHSMPWJJF-BBRMVZONSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cnc2Cl)[C@@H](C)C1 ZINC000834841550 1293156674 /nfs/dbraw/zinc/15/66/74/1293156674.db2.gz WVDSMRHSMPWJJF-BBRMVZONSA-N 2 2 343.874 3.101 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000117382158 1293220691 /nfs/dbraw/zinc/22/06/91/1293220691.db2.gz DFCMKLFKRCAMEU-HOTGVXAUSA-N 2 2 345.512 3.351 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128412087 1293592734 /nfs/dbraw/zinc/59/27/34/1293592734.db2.gz DLCWIJOFZRKVTA-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128412087 1293592739 /nfs/dbraw/zinc/59/27/39/1293592739.db2.gz DLCWIJOFZRKVTA-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000130977465 1293674934 /nfs/dbraw/zinc/67/49/34/1293674934.db2.gz CUKVHDQBYOLYLA-INIZCTEOSA-N 2 2 341.503 3.348 20 0 EGADLP FC(F)COc1ncccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000132538625 1293721941 /nfs/dbraw/zinc/72/19/41/1293721941.db2.gz HMRKFPQWQYQLMY-UHFFFAOYSA-N 2 2 344.365 3.201 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135983259 1293806340 /nfs/dbraw/zinc/80/63/40/1293806340.db2.gz FWVSNPGGJAASBY-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135983259 1293806350 /nfs/dbraw/zinc/80/63/50/1293806350.db2.gz FWVSNPGGJAASBY-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(C)CCCC[C@@H]3O)CC2)cc1 ZINC000159217189 1294229152 /nfs/dbraw/zinc/22/91/52/1294229152.db2.gz YXCGQNIFWSAYFK-SFTDATJTSA-N 2 2 345.531 3.252 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c2ccccc2n(C)c1=S ZINC000162840152 1294323833 /nfs/dbraw/zinc/32/38/33/1294323833.db2.gz XEGPFFYZUYTOLW-UHFFFAOYSA-N 2 2 329.473 3.194 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c2ccccc2n(C)c1=S ZINC000162840152 1294323839 /nfs/dbraw/zinc/32/38/39/1294323839.db2.gz XEGPFFYZUYTOLW-UHFFFAOYSA-N 2 2 329.473 3.194 20 0 EGADLP CC(C)COCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163300137 1294331465 /nfs/dbraw/zinc/33/14/65/1294331465.db2.gz XBNGVOHUCSPSNH-UHFFFAOYSA-N 2 2 333.520 3.374 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1occc1Br ZINC000227368067 1296142694 /nfs/dbraw/zinc/14/26/94/1296142694.db2.gz MTOBXLBWLQALCO-ZDUSSCGKSA-N 2 2 326.238 3.443 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248386410 1296411643 /nfs/dbraw/zinc/41/16/43/1296411643.db2.gz MMVBGOYRGOFTTA-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248386410 1296411648 /nfs/dbraw/zinc/41/16/48/1296411648.db2.gz MMVBGOYRGOFTTA-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000324826196 1297215669 /nfs/dbraw/zinc/21/56/69/1297215669.db2.gz AZNVGXQIKCQQQP-KDOFPFPSSA-N 2 2 329.444 3.420 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873060976 1297253625 /nfs/dbraw/zinc/25/36/25/1297253625.db2.gz OIMQFTXRUFFNBE-NEPJUHHUSA-N 2 2 329.257 3.469 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000873060976 1297253635 /nfs/dbraw/zinc/25/36/35/1297253635.db2.gz OIMQFTXRUFFNBE-NEPJUHHUSA-N 2 2 329.257 3.469 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350435 1297254508 /nfs/dbraw/zinc/25/45/08/1297254508.db2.gz NGDRUBFAZLGOGZ-BBRMVZONSA-N 2 2 325.294 3.454 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350435 1297254515 /nfs/dbraw/zinc/25/45/15/1297254515.db2.gz NGDRUBFAZLGOGZ-BBRMVZONSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124797 1297712856 /nfs/dbraw/zinc/71/28/56/1297712856.db2.gz HWMUCSCQBSAHSN-XLIONFOSSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124797 1297712861 /nfs/dbraw/zinc/71/28/61/1297712861.db2.gz HWMUCSCQBSAHSN-XLIONFOSSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124800 1297713789 /nfs/dbraw/zinc/71/37/89/1297713789.db2.gz HWMUCSCQBSAHSN-YLJYHZDGSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124800 1297713796 /nfs/dbraw/zinc/71/37/96/1297713796.db2.gz HWMUCSCQBSAHSN-YLJYHZDGSA-N 2 2 334.467 3.335 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000710371833 1298255981 /nfs/dbraw/zinc/25/59/81/1298255981.db2.gz APMHVNJXIOMKAA-JYJNAYRXSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000710371833 1298255984 /nfs/dbraw/zinc/25/59/84/1298255984.db2.gz APMHVNJXIOMKAA-JYJNAYRXSA-N 2 2 339.524 3.142 20 0 EGADLP Cc1nc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)sc1Br ZINC000719260035 1298313149 /nfs/dbraw/zinc/31/31/49/1298313149.db2.gz WPUTXSQEMBMZNN-UHFFFAOYSA-N 2 2 344.322 3.180 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059318 1299730421 /nfs/dbraw/zinc/73/04/21/1299730421.db2.gz OWPRISUMRYXYTF-ROUUACIJSA-N 2 2 326.444 3.246 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059318 1299730429 /nfs/dbraw/zinc/73/04/29/1299730429.db2.gz OWPRISUMRYXYTF-ROUUACIJSA-N 2 2 326.444 3.246 20 0 EGADLP CN(CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)Cc1ccccc1 ZINC000880569402 1301165909 /nfs/dbraw/zinc/16/59/09/1301165909.db2.gz JXWTUORAUKCOIJ-OAQYLSRUSA-N 2 2 334.467 3.346 20 0 EGADLP c1cn(C[C@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)c[nH+]1 ZINC000880569670 1301166220 /nfs/dbraw/zinc/16/62/20/1301166220.db2.gz OAFNYCKKSCBRHA-ROUUACIJSA-N 2 2 335.407 3.054 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860228 1301179581 /nfs/dbraw/zinc/17/95/81/1301179581.db2.gz YYSQGEUSTMDYSP-RDTXWAMCSA-N 2 2 340.870 3.320 20 0 EGADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860228 1301179584 /nfs/dbraw/zinc/17/95/84/1301179584.db2.gz YYSQGEUSTMDYSP-RDTXWAMCSA-N 2 2 340.870 3.320 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860226 1301179786 /nfs/dbraw/zinc/17/97/86/1301179786.db2.gz YYSQGEUSTMDYSP-KDOFPFPSSA-N 2 2 340.870 3.320 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860226 1301179790 /nfs/dbraw/zinc/17/97/90/1301179790.db2.gz YYSQGEUSTMDYSP-KDOFPFPSSA-N 2 2 340.870 3.320 20 0 EGADLP C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000882874003 1302141585 /nfs/dbraw/zinc/14/15/85/1302141585.db2.gz RKGFUQXHBWDMRA-MJQMVNBJSA-N 2 2 340.471 3.002 20 0 EGADLP C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000882874003 1302141588 /nfs/dbraw/zinc/14/15/88/1302141588.db2.gz RKGFUQXHBWDMRA-MJQMVNBJSA-N 2 2 340.471 3.002 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791493 1302327948 /nfs/dbraw/zinc/32/79/48/1302327948.db2.gz LJOJKIAHBFVSJN-NDXORKPFSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791493 1302327963 /nfs/dbraw/zinc/32/79/63/1302327963.db2.gz LJOJKIAHBFVSJN-NDXORKPFSA-N 2 2 337.467 3.262 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000765976365 1302361909 /nfs/dbraw/zinc/36/19/09/1302361909.db2.gz OAPUIYBQUUYBGG-BBRMVZONSA-N 2 2 337.533 3.308 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387134 1302426431 /nfs/dbraw/zinc/42/64/31/1302426431.db2.gz SCLUKZABQUXNLD-LEWJYISDSA-N 2 2 335.451 3.472 20 0 EGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1OC ZINC000883398835 1302431711 /nfs/dbraw/zinc/43/17/11/1302431711.db2.gz WZJGBOMQDXRTEF-GOSISDBHSA-N 2 2 337.423 3.431 20 0 EGADLP CC(C)(C)OC(=O)N1CCC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000767735964 1302753697 /nfs/dbraw/zinc/75/36/97/1302753697.db2.gz BJCZPTZCNRQISL-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP CC(C)(C)OC(=O)N1CCC([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000767735964 1302753706 /nfs/dbraw/zinc/75/37/06/1302753706.db2.gz BJCZPTZCNRQISL-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)[nH+]c1C ZINC000886671723 1303550473 /nfs/dbraw/zinc/55/04/73/1303550473.db2.gz BOZCEYCVJPPPSU-UHFFFAOYSA-N 2 2 327.388 3.049 20 0 EGADLP COc1ccc(F)cc1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000886721955 1303579236 /nfs/dbraw/zinc/57/92/36/1303579236.db2.gz PLANLOHCWWNCPF-UHFFFAOYSA-N 2 2 329.419 3.030 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886867754 1303619954 /nfs/dbraw/zinc/61/99/54/1303619954.db2.gz MZTYMPVGRTXDNN-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886867754 1303619960 /nfs/dbraw/zinc/61/99/60/1303619960.db2.gz MZTYMPVGRTXDNN-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886871775 1303621542 /nfs/dbraw/zinc/62/15/42/1303621542.db2.gz ARCNPLPTDCGPDU-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886871775 1303621548 /nfs/dbraw/zinc/62/15/48/1303621548.db2.gz ARCNPLPTDCGPDU-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)NC(=O)OC(C)(C)C ZINC000774381466 1303803942 /nfs/dbraw/zinc/80/39/42/1303803942.db2.gz WLHVKULHYDFEFU-BFYDXBDKSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)NC(=O)OC(C)(C)C ZINC000774381466 1303803944 /nfs/dbraw/zinc/80/39/44/1303803944.db2.gz WLHVKULHYDFEFU-BFYDXBDKSA-N 2 2 339.524 3.285 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000774489900 1303816362 /nfs/dbraw/zinc/81/63/62/1303816362.db2.gz WUJBYKWNMBNELK-CABCVRRESA-N 2 2 346.462 3.065 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000774489900 1303816366 /nfs/dbraw/zinc/81/63/66/1303816366.db2.gz WUJBYKWNMBNELK-CABCVRRESA-N 2 2 346.462 3.065 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775378859 1303950078 /nfs/dbraw/zinc/95/00/78/1303950078.db2.gz NASKUGPLPHYAMT-KLHDSHLOSA-N 2 2 328.591 3.466 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775378859 1303950082 /nfs/dbraw/zinc/95/00/82/1303950082.db2.gz NASKUGPLPHYAMT-KLHDSHLOSA-N 2 2 328.591 3.466 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000775634330 1303999009 /nfs/dbraw/zinc/99/90/09/1303999009.db2.gz OBTFXFRIHQBZEA-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000775634330 1303999015 /nfs/dbraw/zinc/99/90/15/1303999015.db2.gz OBTFXFRIHQBZEA-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000776799605 1304201095 /nfs/dbraw/zinc/20/10/95/1304201095.db2.gz JFDYCJSUTAKSGR-QGZVFWFLSA-N 2 2 326.843 3.212 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000779015255 1304518915 /nfs/dbraw/zinc/51/89/15/1304518915.db2.gz SKUXLSNCLJOKBA-GVDBMIGSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779071979 1304525855 /nfs/dbraw/zinc/52/58/55/1304525855.db2.gz HTZUSDMRGXQSHL-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779071979 1304525857 /nfs/dbraw/zinc/52/58/57/1304525857.db2.gz HTZUSDMRGXQSHL-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000782096783 1304916182 /nfs/dbraw/zinc/91/61/82/1304916182.db2.gz VIAXIAFGXCSMFM-IAGOWNOFSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000782096783 1304916184 /nfs/dbraw/zinc/91/61/84/1304916184.db2.gz VIAXIAFGXCSMFM-IAGOWNOFSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000782096783 1304916186 /nfs/dbraw/zinc/91/61/86/1304916186.db2.gz VIAXIAFGXCSMFM-IAGOWNOFSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000782096783 1304916188 /nfs/dbraw/zinc/91/61/88/1304916188.db2.gz VIAXIAFGXCSMFM-IAGOWNOFSA-N 2 2 339.524 3.192 20 0 EGADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC000783032305 1305038614 /nfs/dbraw/zinc/03/86/14/1305038614.db2.gz YDWNFBKRGVSACU-LJQANCHMSA-N 2 2 349.425 3.387 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)nc1 ZINC000892607469 1305466912 /nfs/dbraw/zinc/46/69/12/1305466912.db2.gz SLPUCIMZMROQSV-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C(C)C ZINC000786911524 1305654542 /nfs/dbraw/zinc/65/45/42/1305654542.db2.gz OSCPERGHXNYTQI-QAPCUYQASA-N 2 2 334.508 3.066 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C(C)(C)C ZINC000786912648 1305655109 /nfs/dbraw/zinc/65/51/09/1305655109.db2.gz SULAWWUDZDZEIM-CRAIPNDOSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788252271 1305908148 /nfs/dbraw/zinc/90/81/48/1305908148.db2.gz ZOZHPYRHFWDTAB-JKSUJKDBSA-N 2 2 327.513 3.142 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788252271 1305908153 /nfs/dbraw/zinc/90/81/53/1305908153.db2.gz ZOZHPYRHFWDTAB-JKSUJKDBSA-N 2 2 327.513 3.142 20 0 EGADLP CCn1cc(C[N@H+](C)C2CC[NH+](CC)CC2)c(-c2ccccc2)n1 ZINC000893919738 1306130815 /nfs/dbraw/zinc/13/08/15/1306130815.db2.gz TVNBNIYYUDYXHD-UHFFFAOYSA-N 2 2 326.488 3.486 20 0 EGADLP CCn1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)c(-c2ccccc2)n1 ZINC000893919738 1306130825 /nfs/dbraw/zinc/13/08/25/1306130825.db2.gz TVNBNIYYUDYXHD-UHFFFAOYSA-N 2 2 326.488 3.486 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000790081009 1306260441 /nfs/dbraw/zinc/26/04/41/1306260441.db2.gz UTVSVDJELVHWOA-MRXNPFEDSA-N 2 2 327.513 3.050 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000790081009 1306260450 /nfs/dbraw/zinc/26/04/50/1306260450.db2.gz UTVSVDJELVHWOA-MRXNPFEDSA-N 2 2 327.513 3.050 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000790497164 1306338431 /nfs/dbraw/zinc/33/84/31/1306338431.db2.gz KZWNDWFOKDRBQC-OAGGEKHMSA-N 2 2 341.540 3.388 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000790497164 1306338435 /nfs/dbraw/zinc/33/84/35/1306338435.db2.gz KZWNDWFOKDRBQC-OAGGEKHMSA-N 2 2 341.540 3.388 20 0 EGADLP Cn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C2CC2)n1 ZINC000894472590 1308908688 /nfs/dbraw/zinc/90/86/88/1308908688.db2.gz UDNFPSNXZFSXTL-UHFFFAOYSA-N 2 2 327.476 3.186 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621976 1308982749 /nfs/dbraw/zinc/98/27/49/1308982749.db2.gz DQCJCBPNKHAYCK-CQSZACIVSA-N 2 2 333.423 3.166 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621976 1308982756 /nfs/dbraw/zinc/98/27/56/1308982756.db2.gz DQCJCBPNKHAYCK-CQSZACIVSA-N 2 2 333.423 3.166 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621976 1308982765 /nfs/dbraw/zinc/98/27/65/1308982765.db2.gz DQCJCBPNKHAYCK-CQSZACIVSA-N 2 2 333.423 3.166 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621976 1308982774 /nfs/dbraw/zinc/98/27/74/1308982774.db2.gz DQCJCBPNKHAYCK-CQSZACIVSA-N 2 2 333.423 3.166 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n(C)n1 ZINC000793521755 1309391820 /nfs/dbraw/zinc/39/18/20/1309391820.db2.gz LUNDIVVXEKXRQN-CYBMUJFWSA-N 2 2 327.407 3.213 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C2CC(OCc3ccccc3)C2)s1 ZINC000796357525 1309977072 /nfs/dbraw/zinc/97/70/72/1309977072.db2.gz SPIPQQMLPIIFEB-UHFFFAOYSA-N 2 2 331.485 3.042 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577978 1319401859 /nfs/dbraw/zinc/40/18/59/1319401859.db2.gz PQZBPRGYUAGZQM-GWCFXTLKSA-N 2 2 344.322 3.288 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577978 1319401864 /nfs/dbraw/zinc/40/18/64/1319401864.db2.gz PQZBPRGYUAGZQM-GWCFXTLKSA-N 2 2 344.322 3.288 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@@H](C)C1 ZINC000800493843 1310769914 /nfs/dbraw/zinc/76/99/14/1310769914.db2.gz BVZNNTBQIZQPQL-RDJZCZTQSA-N 2 2 339.911 3.270 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@@H](C)C1 ZINC000800493843 1310769917 /nfs/dbraw/zinc/76/99/17/1310769917.db2.gz BVZNNTBQIZQPQL-RDJZCZTQSA-N 2 2 339.911 3.270 20 0 EGADLP CN(C)c1cc(COC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC000801869067 1316959184 /nfs/dbraw/zinc/95/91/84/1316959184.db2.gz QVJVDVXOBOVCMZ-UHFFFAOYSA-N 2 2 339.439 3.100 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1Cn1cccn1 ZINC000902481743 1317583206 /nfs/dbraw/zinc/58/32/06/1317583206.db2.gz GHVSFTZTQNQBHD-VQIMIIECSA-N 2 2 342.487 3.123 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514777 1317584775 /nfs/dbraw/zinc/58/47/75/1317584775.db2.gz PUHJKXGNVUKHQF-DGCLKSJQSA-N 2 2 334.407 3.155 20 0 EGADLP CC[N@H+](CC1CC1)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000957725787 1317591023 /nfs/dbraw/zinc/59/10/23/1317591023.db2.gz DYQBVIQKSGNZHO-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@@H+](CC1CC1)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000957725787 1317591031 /nfs/dbraw/zinc/59/10/31/1317591031.db2.gz DYQBVIQKSGNZHO-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@H+](CN1C[C@@H](C)CC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902641103 1317601898 /nfs/dbraw/zinc/60/18/98/1317601898.db2.gz WNWHQAUYBRMEDO-SFHVURJKSA-N 2 2 343.515 3.189 20 0 EGADLP CCC[N@@H+](CN1C[C@@H](C)CC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902641103 1317601903 /nfs/dbraw/zinc/60/19/03/1317601903.db2.gz WNWHQAUYBRMEDO-SFHVURJKSA-N 2 2 343.515 3.189 20 0 EGADLP CC[N@@H+](Cc1cncc(OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000808733101 1317725742 /nfs/dbraw/zinc/72/57/42/1317725742.db2.gz NTNUJOOBCIHBLF-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@H+](Cc1cncc(OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000808733101 1317725745 /nfs/dbraw/zinc/72/57/45/1317725745.db2.gz NTNUJOOBCIHBLF-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cncc(OC)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000808733101 1317725748 /nfs/dbraw/zinc/72/57/48/1317725748.db2.gz NTNUJOOBCIHBLF-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cncc(OC)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000808733101 1317725751 /nfs/dbraw/zinc/72/57/51/1317725751.db2.gz NTNUJOOBCIHBLF-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP Clc1ccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c2ncccc12 ZINC000903817752 1317737351 /nfs/dbraw/zinc/73/73/51/1317737351.db2.gz HGJZIUMPNYOCKK-UHFFFAOYSA-N 2 2 345.874 3.233 20 0 EGADLP Clc1ccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c2ncccc12 ZINC000903817752 1317737357 /nfs/dbraw/zinc/73/73/57/1317737357.db2.gz HGJZIUMPNYOCKK-UHFFFAOYSA-N 2 2 345.874 3.233 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1cccc2ccccc21 ZINC001020635425 1317818045 /nfs/dbraw/zinc/81/80/45/1317818045.db2.gz WNEVKAGWQIYCJP-XIRDDKMYSA-N 2 2 348.450 3.103 20 0 EGADLP COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000809550853 1317830684 /nfs/dbraw/zinc/83/06/84/1317830684.db2.gz NZBSBTVPTMARSB-INIZCTEOSA-N 2 2 345.512 3.420 20 0 EGADLP COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000809550853 1317830694 /nfs/dbraw/zinc/83/06/94/1317830694.db2.gz NZBSBTVPTMARSB-INIZCTEOSA-N 2 2 345.512 3.420 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000809687822 1317863099 /nfs/dbraw/zinc/86/30/99/1317863099.db2.gz RKMQOMULYVPINO-UHFFFAOYSA-N 2 2 342.468 3.492 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000809687822 1317863107 /nfs/dbraw/zinc/86/31/07/1317863107.db2.gz RKMQOMULYVPINO-UHFFFAOYSA-N 2 2 342.468 3.492 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960037921 1318323264 /nfs/dbraw/zinc/32/32/64/1318323264.db2.gz ZJYILCJEOUMNET-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960037921 1318323273 /nfs/dbraw/zinc/32/32/73/1318323273.db2.gz ZJYILCJEOUMNET-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858426575 1328759504 /nfs/dbraw/zinc/75/95/04/1328759504.db2.gz QVGMEEPLEPMSRV-IBGZPJMESA-N 2 2 347.409 3.125 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)CCCn3cc[nH+]c3C)cc2)c1C ZINC000812738810 1318446704 /nfs/dbraw/zinc/44/67/04/1318446704.db2.gz BSQXXPFTDQOLGZ-UHFFFAOYSA-N 2 2 337.427 3.413 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)CC1CCCCCC1 ZINC000960668860 1318785640 /nfs/dbraw/zinc/78/56/40/1318785640.db2.gz BEHBPDUQUQTBBD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)CC1CCCCCC1 ZINC000960668860 1318785648 /nfs/dbraw/zinc/78/56/48/1318785648.db2.gz BEHBPDUQUQTBBD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC000960668860 1318785654 /nfs/dbraw/zinc/78/56/54/1318785654.db2.gz BEHBPDUQUQTBBD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC000960668860 1318785663 /nfs/dbraw/zinc/78/56/63/1318785663.db2.gz BEHBPDUQUQTBBD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022288142 1318879703 /nfs/dbraw/zinc/87/97/03/1318879703.db2.gz XCSTUWNMDKUTDJ-BHYGNILZSA-N 2 2 348.450 3.483 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1Cl ZINC000815121969 1318899225 /nfs/dbraw/zinc/89/92/25/1318899225.db2.gz HPKSWQALSQFNMW-CYBMUJFWSA-N 2 2 338.908 3.137 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1Cl ZINC000815121969 1318899235 /nfs/dbraw/zinc/89/92/35/1318899235.db2.gz HPKSWQALSQFNMW-CYBMUJFWSA-N 2 2 338.908 3.137 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423540 1318933902 /nfs/dbraw/zinc/93/39/02/1318933902.db2.gz AICTVFOAZBLTRL-CALCHBBNSA-N 2 2 348.450 3.002 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000815654480 1319038375 /nfs/dbraw/zinc/03/83/75/1319038375.db2.gz OGQORXOUEGPIPY-RGMHLJPOSA-N 2 2 342.527 3.354 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000815654480 1319038383 /nfs/dbraw/zinc/03/83/83/1319038383.db2.gz OGQORXOUEGPIPY-RGMHLJPOSA-N 2 2 342.527 3.354 20 0 EGADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2=O)cc1 ZINC000817906308 1319456922 /nfs/dbraw/zinc/45/69/22/1319456922.db2.gz XCWUJMFZOIEEPH-GIVPXCGWSA-N 2 2 349.478 3.183 20 0 EGADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000817906311 1319457055 /nfs/dbraw/zinc/45/70/55/1319457055.db2.gz XCWUJMFZOIEEPH-SESVDKBCSA-N 2 2 349.478 3.183 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000818179993 1319510942 /nfs/dbraw/zinc/51/09/42/1319510942.db2.gz OAJDFIHLMBAQRB-UHFFFAOYSA-N 2 2 336.451 3.081 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccccc2N2CCCCC2)C[C@H](C)O1 ZINC000818340390 1319529884 /nfs/dbraw/zinc/52/98/84/1319529884.db2.gz LTLMYXJZCNENST-OALUTQOASA-N 2 2 345.531 3.266 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001023445572 1319543481 /nfs/dbraw/zinc/54/34/81/1319543481.db2.gz USPOKOSWPDAIFT-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001023445572 1319543485 /nfs/dbraw/zinc/54/34/85/1319543485.db2.gz USPOKOSWPDAIFT-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000819078651 1319629364 /nfs/dbraw/zinc/62/93/64/1319629364.db2.gz KIRCKPLUOUNKED-JKSUJKDBSA-N 2 2 330.394 3.203 20 0 EGADLP CC1CCC(O)(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000819108718 1319638529 /nfs/dbraw/zinc/63/85/29/1319638529.db2.gz LMBLIQOUCXQCPU-UHFFFAOYSA-N 2 2 345.531 3.252 20 0 EGADLP CC1(c2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2)OCCO1 ZINC000821213066 1320003530 /nfs/dbraw/zinc/00/35/30/1320003530.db2.gz JCTYKAFPVHBVGS-UHFFFAOYSA-N 2 2 349.434 3.382 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1(C)C ZINC000821982096 1320045466 /nfs/dbraw/zinc/04/54/66/1320045466.db2.gz GODSOFKCAVXCDT-HNNXBMFYSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@H]1C[C@H](C[NH2+]C2(C[NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824333092 1320248869 /nfs/dbraw/zinc/24/88/69/1320248869.db2.gz SKLVMTUDFYYINM-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP CCCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CCC[C@H](C)C1 ZINC000840089801 1321026786 /nfs/dbraw/zinc/02/67/86/1321026786.db2.gz BJJMZYRKUGMKCG-RCCFBDPRSA-N 2 2 346.519 3.374 20 0 EGADLP CCCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CCC[C@H](C)C1 ZINC000840089801 1321026789 /nfs/dbraw/zinc/02/67/89/1321026789.db2.gz BJJMZYRKUGMKCG-RCCFBDPRSA-N 2 2 346.519 3.374 20 0 EGADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)O1 ZINC000840871934 1321166113 /nfs/dbraw/zinc/16/61/13/1321166113.db2.gz IJLYXOUKQHVFOU-ZACQAIPSSA-N 2 2 331.504 3.125 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000841041666 1321207929 /nfs/dbraw/zinc/20/79/29/1321207929.db2.gz DGDDQBXAVRPWIH-GOSISDBHSA-N 2 2 325.456 3.119 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100313 1321217936 /nfs/dbraw/zinc/21/79/36/1321217936.db2.gz CHMAXTQNMWICNQ-IUODEOHRSA-N 2 2 335.883 3.082 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100313 1321217942 /nfs/dbraw/zinc/21/79/42/1321217942.db2.gz CHMAXTQNMWICNQ-IUODEOHRSA-N 2 2 335.883 3.082 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842477652 1321394314 /nfs/dbraw/zinc/39/43/14/1321394314.db2.gz CIAZSTYFSUPJNK-VKJFTORMSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842477652 1321394316 /nfs/dbraw/zinc/39/43/16/1321394316.db2.gz CIAZSTYFSUPJNK-VKJFTORMSA-N 2 2 325.456 3.084 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842687619 1321419823 /nfs/dbraw/zinc/41/98/23/1321419823.db2.gz SMOJCDVWNDTGNF-QWHCGFSZSA-N 2 2 346.700 3.460 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053247 1321461651 /nfs/dbraw/zinc/46/16/51/1321461651.db2.gz ZWAQFPDBAAZBJJ-OLZOCXBDSA-N 2 2 335.883 3.225 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053247 1321461654 /nfs/dbraw/zinc/46/16/54/1321461654.db2.gz ZWAQFPDBAAZBJJ-OLZOCXBDSA-N 2 2 335.883 3.225 20 0 EGADLP Cc1cccn2cc(Cc3noc(CC[C@H]([NH3+])c4ccccc4)n3)[nH+]c12 ZINC000843182400 1321482897 /nfs/dbraw/zinc/48/28/97/1321482897.db2.gz FCOHLLVVZMJWKI-KRWDZBQOSA-N 2 2 347.422 3.249 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@@H+](C)CC[C@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354471 1321505013 /nfs/dbraw/zinc/50/50/13/1321505013.db2.gz IMHBAIFHUDJAOH-ROUUACIJSA-N 2 2 331.504 3.022 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@H+](C)CC[C@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354471 1321505016 /nfs/dbraw/zinc/50/50/16/1321505016.db2.gz IMHBAIFHUDJAOH-ROUUACIJSA-N 2 2 331.504 3.022 20 0 EGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845923641 1321754321 /nfs/dbraw/zinc/75/43/21/1321754321.db2.gz USNDTPIITNUBGC-GTPINHCMSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845923641 1321754324 /nfs/dbraw/zinc/75/43/24/1321754324.db2.gz USNDTPIITNUBGC-GTPINHCMSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568460 1321977639 /nfs/dbraw/zinc/97/76/39/1321977639.db2.gz JGSHYKHBHDYLLO-SNRMKQJTSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568460 1321977643 /nfs/dbraw/zinc/97/76/43/1321977643.db2.gz JGSHYKHBHDYLLO-SNRMKQJTSA-N 2 2 343.471 3.311 20 0 EGADLP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000922845331 1322631840 /nfs/dbraw/zinc/63/18/40/1322631840.db2.gz OEFQGQWXAASAPR-UHFFFAOYSA-N 3 2 330.501 3.430 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2cc1Cl ZINC000923516916 1322767369 /nfs/dbraw/zinc/76/73/69/1322767369.db2.gz YIIUYVIOVDBTHT-DZGCQCFKSA-N 2 2 346.858 3.050 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c2cc1Cl ZINC000923516916 1322767374 /nfs/dbraw/zinc/76/73/74/1322767374.db2.gz YIIUYVIOVDBTHT-DZGCQCFKSA-N 2 2 346.858 3.050 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000924605653 1323072402 /nfs/dbraw/zinc/07/24/02/1323072402.db2.gz HICKFOBQPUYCPP-INIZCTEOSA-N 2 2 327.476 3.306 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000924728499 1323136198 /nfs/dbraw/zinc/13/61/98/1323136198.db2.gz GQQBZFYGTMYMFX-MAUKXSAKSA-N 2 2 338.459 3.229 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000924874652 1323195653 /nfs/dbraw/zinc/19/56/53/1323195653.db2.gz SBDYLWLSWBGMQE-CVEARBPZSA-N 2 2 347.532 3.483 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000924874652 1323195657 /nfs/dbraw/zinc/19/56/57/1323195657.db2.gz SBDYLWLSWBGMQE-CVEARBPZSA-N 2 2 347.532 3.483 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903867 1323206647 /nfs/dbraw/zinc/20/66/47/1323206647.db2.gz XFAUXVWEUMVXIO-CRAIPNDOSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903867 1323206651 /nfs/dbraw/zinc/20/66/51/1323206651.db2.gz XFAUXVWEUMVXIO-CRAIPNDOSA-N 2 2 343.471 3.026 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510367 1323457749 /nfs/dbraw/zinc/45/77/49/1323457749.db2.gz KJZSYKAYARMIQJ-GOEBONIOSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510367 1323457751 /nfs/dbraw/zinc/45/77/51/1323457751.db2.gz KJZSYKAYARMIQJ-GOEBONIOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273106 1324087280 /nfs/dbraw/zinc/08/72/80/1324087280.db2.gz OBCUFMHEDXMNOH-ZWKOTPCHSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273106 1324087283 /nfs/dbraw/zinc/08/72/83/1324087283.db2.gz OBCUFMHEDXMNOH-ZWKOTPCHSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273104 1324087405 /nfs/dbraw/zinc/08/74/05/1324087405.db2.gz OBCUFMHEDXMNOH-QZTJIDSGSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273104 1324087410 /nfs/dbraw/zinc/08/74/10/1324087410.db2.gz OBCUFMHEDXMNOH-QZTJIDSGSA-N 2 2 346.519 3.234 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001025458268 1324300134 /nfs/dbraw/zinc/30/01/34/1324300134.db2.gz HLPPVSCXVFARKS-ZBFHGGJFSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001025458268 1324300138 /nfs/dbraw/zinc/30/01/38/1324300138.db2.gz HLPPVSCXVFARKS-ZBFHGGJFSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931728651 1329173500 /nfs/dbraw/zinc/17/35/00/1329173500.db2.gz XVXPPWRZSBDBFF-ZWKOTPCHSA-N 2 2 329.488 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931728651 1329173502 /nfs/dbraw/zinc/17/35/02/1329173502.db2.gz XVXPPWRZSBDBFF-ZWKOTPCHSA-N 2 2 329.488 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931728651 1329173508 /nfs/dbraw/zinc/17/35/08/1329173508.db2.gz XVXPPWRZSBDBFF-ZWKOTPCHSA-N 2 2 329.488 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931728651 1329173513 /nfs/dbraw/zinc/17/35/13/1329173513.db2.gz XVXPPWRZSBDBFF-ZWKOTPCHSA-N 2 2 329.488 3.191 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000931727714 1329172529 /nfs/dbraw/zinc/17/25/29/1329172529.db2.gz XCTUALWXLFGQBY-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000931727714 1329172532 /nfs/dbraw/zinc/17/25/32/1329172532.db2.gz XCTUALWXLFGQBY-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000931727714 1329172534 /nfs/dbraw/zinc/17/25/34/1329172534.db2.gz XCTUALWXLFGQBY-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccc(OCc2ccncc2)cc1 ZINC000931727714 1329172536 /nfs/dbraw/zinc/17/25/36/1329172536.db2.gz XCTUALWXLFGQBY-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026919790 1325083128 /nfs/dbraw/zinc/08/31/28/1325083128.db2.gz NNPSJXNZQWLUSH-MRXNPFEDSA-N 2 2 338.455 3.115 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333236 1325118191 /nfs/dbraw/zinc/11/81/91/1325118191.db2.gz KXWNPDZFVUKJFV-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333236 1325118197 /nfs/dbraw/zinc/11/81/97/1325118197.db2.gz KXWNPDZFVUKJFV-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386784 1325186131 /nfs/dbraw/zinc/18/61/31/1325186131.db2.gz RDCPLIHWMCJHQR-IRXDYDNUSA-N 2 2 346.519 3.190 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386784 1325186133 /nfs/dbraw/zinc/18/61/33/1325186133.db2.gz RDCPLIHWMCJHQR-IRXDYDNUSA-N 2 2 346.519 3.190 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925554693 1325205573 /nfs/dbraw/zinc/20/55/73/1325205573.db2.gz CYRBKPZZRAPUNC-WOJBJXKFSA-N 2 2 340.467 3.029 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424162 1325549062 /nfs/dbraw/zinc/54/90/62/1325549062.db2.gz MNLZDOXQOZYLEV-BRWVUGGUSA-N 2 2 342.405 3.345 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424162 1325549068 /nfs/dbraw/zinc/54/90/68/1325549068.db2.gz MNLZDOXQOZYLEV-BRWVUGGUSA-N 2 2 342.405 3.345 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(N2CCCC2)n1 ZINC000926449711 1325559284 /nfs/dbraw/zinc/55/92/84/1325559284.db2.gz QPBPYBDEBQCCSI-RTBURBONSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(N2CCCC2)n1 ZINC000926449711 1325559292 /nfs/dbraw/zinc/55/92/92/1325559292.db2.gz QPBPYBDEBQCCSI-RTBURBONSA-N 2 2 328.504 3.097 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435284 1327674072 /nfs/dbraw/zinc/67/40/72/1327674072.db2.gz DELXQLTYARLMCV-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435284 1327674080 /nfs/dbraw/zinc/67/40/80/1327674080.db2.gz DELXQLTYARLMCV-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435284 1327674095 /nfs/dbraw/zinc/67/40/95/1327674095.db2.gz DELXQLTYARLMCV-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435284 1327674106 /nfs/dbraw/zinc/67/41/06/1327674106.db2.gz DELXQLTYARLMCV-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000926715878 1327681128 /nfs/dbraw/zinc/68/11/28/1327681128.db2.gz ZMQUQBJHSDOUSD-YRNRMSPPSA-N 2 2 349.494 3.101 20 0 EGADLP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649396 1328030445 /nfs/dbraw/zinc/03/04/45/1328030445.db2.gz JMIYSFKOYQTIOG-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649396 1328030451 /nfs/dbraw/zinc/03/04/51/1328030451.db2.gz JMIYSFKOYQTIOG-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052655 1328517094 /nfs/dbraw/zinc/51/70/94/1328517094.db2.gz BHDXNWQETABDDZ-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052655 1328517101 /nfs/dbraw/zinc/51/71/01/1328517101.db2.gz BHDXNWQETABDDZ-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn1 ZINC000865437732 1329697116 /nfs/dbraw/zinc/69/71/16/1329697116.db2.gz DGSTVFPVBVVZRV-UHFFFAOYSA-N 2 2 341.503 3.354 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622988 1329721702 /nfs/dbraw/zinc/72/17/02/1329721702.db2.gz HRXSDOGONWXYII-ZWKOTPCHSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622988 1329721703 /nfs/dbraw/zinc/72/17/03/1329721703.db2.gz HRXSDOGONWXYII-ZWKOTPCHSA-N 2 2 337.471 3.009 20 0 EGADLP C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865748744 1329734559 /nfs/dbraw/zinc/73/45/59/1329734559.db2.gz ASLMGHGXFFSTMV-BTQXECBCSA-N 2 2 347.547 3.044 20 0 EGADLP C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865748744 1329734560 /nfs/dbraw/zinc/73/45/60/1329734560.db2.gz ASLMGHGXFFSTMV-BTQXECBCSA-N 2 2 347.547 3.044 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248956 1329799974 /nfs/dbraw/zinc/79/99/74/1329799974.db2.gz AFSQBRIYFWWOSG-HNNXBMFYSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248956 1329799975 /nfs/dbraw/zinc/79/99/75/1329799975.db2.gz AFSQBRIYFWWOSG-HNNXBMFYSA-N 2 2 335.249 3.186 20 0 EGADLP CC(C)[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccn1 ZINC000866324181 1330096454 /nfs/dbraw/zinc/09/64/54/1330096454.db2.gz QDQLHONYBKNRNE-PXNSSMCTSA-N 2 2 339.487 3.426 20 0 EGADLP CC1(C)C[N@H+](C/C=C/Cl)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838956 1331213922 /nfs/dbraw/zinc/21/39/22/1331213922.db2.gz KFMKOSVXMAZSEK-GIZXNFQBSA-N 2 2 346.862 3.146 20 0 EGADLP CC1(C)C[N@@H+](C/C=C/Cl)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838956 1331213927 /nfs/dbraw/zinc/21/39/27/1331213927.db2.gz KFMKOSVXMAZSEK-GIZXNFQBSA-N 2 2 346.862 3.146 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940920397 1331255417 /nfs/dbraw/zinc/25/54/17/1331255417.db2.gz CLAYRVSPTISXCV-SFHVURJKSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940920397 1331255419 /nfs/dbraw/zinc/25/54/19/1331255419.db2.gz CLAYRVSPTISXCV-SFHVURJKSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485305 1331943674 /nfs/dbraw/zinc/94/36/74/1331943674.db2.gz GZUCMUAOHHELKM-CVEARBPZSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485305 1331943675 /nfs/dbraw/zinc/94/36/75/1331943675.db2.gz GZUCMUAOHHELKM-CVEARBPZSA-N 2 2 342.487 3.211 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)c[nH+]1 ZINC000947442364 1333128703 /nfs/dbraw/zinc/12/87/03/1333128703.db2.gz USNUDRJMCNERCN-SJORKVTESA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H](C)C2)c[nH+]1 ZINC000947442364 1333128706 /nfs/dbraw/zinc/12/87/06/1333128706.db2.gz USNUDRJMCNERCN-SJORKVTESA-N 2 2 348.535 3.332 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947757913 1333253364 /nfs/dbraw/zinc/25/33/64/1333253364.db2.gz HFIMPTNZVGKXMY-WBVHZDCISA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947757913 1333253365 /nfs/dbraw/zinc/25/33/65/1333253365.db2.gz HFIMPTNZVGKXMY-WBVHZDCISA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948656031 1333615309 /nfs/dbraw/zinc/61/53/09/1333615309.db2.gz RORUUQXHTGSNBI-SFHVURJKSA-N 2 2 340.471 3.207 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948656031 1333615311 /nfs/dbraw/zinc/61/53/11/1333615311.db2.gz RORUUQXHTGSNBI-SFHVURJKSA-N 2 2 340.471 3.207 20 0 EGADLP CCN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950890483 1334147439 /nfs/dbraw/zinc/14/74/39/1334147439.db2.gz HKGMCRJMCUXEDL-MRXNPFEDSA-N 2 2 348.450 3.242 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950962602 1334161328 /nfs/dbraw/zinc/16/13/28/1334161328.db2.gz SVACPIBUSYJIEO-ZWKOTPCHSA-N 2 2 340.471 3.048 20 0 EGADLP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000951001591 1334165737 /nfs/dbraw/zinc/16/57/37/1334165737.db2.gz FQZYEIQQKICMEL-INIZCTEOSA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1C[NH+](CCC(C)C)C1 ZINC000951001913 1334165877 /nfs/dbraw/zinc/16/58/77/1334165877.db2.gz WFAIVDUGRGVGQV-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000951103781 1334182361 /nfs/dbraw/zinc/18/23/61/1334182361.db2.gz FQHGNZYQOOFFRB-UHFFFAOYSA-N 2 2 346.519 3.121 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1C ZINC000968596268 1335978412 /nfs/dbraw/zinc/97/84/12/1335978412.db2.gz ILQULJMIXOIWQL-KXBFYZLASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1C ZINC000968596268 1335978413 /nfs/dbraw/zinc/97/84/13/1335978413.db2.gz ILQULJMIXOIWQL-KXBFYZLASA-N 2 2 346.519 3.058 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968979714 1336107877 /nfs/dbraw/zinc/10/78/77/1336107877.db2.gz UFNIFNGYADOPMC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000968979714 1336107878 /nfs/dbraw/zinc/10/78/78/1336107878.db2.gz UFNIFNGYADOPMC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C3C[NH+](CCC(C)(C)C)C3)ccn12 ZINC000969674404 1336235944 /nfs/dbraw/zinc/23/59/44/1336235944.db2.gz NZIWOAOERYJKQL-OAHLLOKOSA-N 2 2 342.487 3.129 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001006066249 1336445937 /nfs/dbraw/zinc/44/59/37/1336445937.db2.gz PSESYHTWCXCNMQ-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006187758 1336464175 /nfs/dbraw/zinc/46/41/75/1336464175.db2.gz LKQCFVLOQHBXEC-GOSISDBHSA-N 2 2 340.471 3.026 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007635511 1336681295 /nfs/dbraw/zinc/68/12/95/1336681295.db2.gz GOXRCSWVKGVMNB-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007635511 1336681299 /nfs/dbraw/zinc/68/12/99/1336681299.db2.gz GOXRCSWVKGVMNB-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2cnc3cc(Br)ccc3c2)C1 ZINC001206284260 1371011742 /nfs/dbraw/zinc/01/17/42/1371011742.db2.gz AJUXTQLWIQPHNY-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2cnc3cc(Br)ccc3c2)C1 ZINC001206284260 1371011747 /nfs/dbraw/zinc/01/17/47/1371011747.db2.gz AJUXTQLWIQPHNY-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)cc(Br)c2)C1 ZINC001206563872 1371095507 /nfs/dbraw/zinc/09/55/07/1371095507.db2.gz JJSMUBQGPWWQPD-HNNXBMFYSA-N 2 2 327.266 3.106 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017254313 1338984605 /nfs/dbraw/zinc/98/46/05/1338984605.db2.gz QTUMJIBOIQTXKQ-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017254313 1338984607 /nfs/dbraw/zinc/98/46/07/1338984607.db2.gz QTUMJIBOIQTXKQ-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCC4CCCC4)C3)ccn12 ZINC001018849501 1339737749 /nfs/dbraw/zinc/73/77/49/1339737749.db2.gz XTVOEVJOIUJJPW-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)c3ccc4c[nH+]cn4c3C)C2)c1 ZINC001030591178 1341199513 /nfs/dbraw/zinc/19/95/13/1341199513.db2.gz UILXJFUFGVYLAY-HNNXBMFYSA-N 2 2 348.450 3.126 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001030684005 1341208584 /nfs/dbraw/zinc/20/85/84/1341208584.db2.gz IJTRLYGLWRCHSP-MRXNPFEDSA-N 2 2 348.450 3.126 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+]([C@H](C)c4ccccc4)C3)ccn12 ZINC001031670369 1341386028 /nfs/dbraw/zinc/38/60/28/1341386028.db2.gz HLXYQNTZQBQMNM-MRXNPFEDSA-N 2 2 348.450 3.066 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032633465 1341565799 /nfs/dbraw/zinc/56/57/99/1341565799.db2.gz OGTPCLBGTFBYHC-MGHWNKPDSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032633465 1341565801 /nfs/dbraw/zinc/56/58/01/1341565801.db2.gz OGTPCLBGTFBYHC-MGHWNKPDSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299211 1341770575 /nfs/dbraw/zinc/77/05/75/1341770575.db2.gz ARGFNJVZZGANRW-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299211 1341770576 /nfs/dbraw/zinc/77/05/76/1341770576.db2.gz ARGFNJVZZGANRW-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033832253 1342032907 /nfs/dbraw/zinc/03/29/07/1342032907.db2.gz HYUBVRMYLOGBAY-GOSISDBHSA-N 2 2 340.471 3.145 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033832253 1342032910 /nfs/dbraw/zinc/03/29/10/1342032910.db2.gz HYUBVRMYLOGBAY-GOSISDBHSA-N 2 2 340.471 3.145 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391568 1342461924 /nfs/dbraw/zinc/46/19/24/1342461924.db2.gz MZORRLSKEFMYSZ-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391568 1342461926 /nfs/dbraw/zinc/46/19/26/1342461926.db2.gz MZORRLSKEFMYSZ-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001034761348 1342742588 /nfs/dbraw/zinc/74/25/88/1342742588.db2.gz MELQIJPORQYSBR-KZNAEPCWSA-N 2 2 340.471 3.121 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001034956148 1342852680 /nfs/dbraw/zinc/85/26/80/1342852680.db2.gz PJGYITPRCABAQU-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001034956148 1342852684 /nfs/dbraw/zinc/85/26/84/1342852684.db2.gz PJGYITPRCABAQU-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001034993099 1342867683 /nfs/dbraw/zinc/86/76/83/1342867683.db2.gz NWSJAISTEDELOY-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035180963 1342996864 /nfs/dbraw/zinc/99/68/64/1342996864.db2.gz KUMOTEOYSIKTJS-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035180963 1342996867 /nfs/dbraw/zinc/99/68/67/1342996867.db2.gz KUMOTEOYSIKTJS-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036567329 1343557544 /nfs/dbraw/zinc/55/75/44/1343557544.db2.gz FQSBYSDCMWORIC-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869413 1343807168 /nfs/dbraw/zinc/80/71/68/1343807168.db2.gz CWHNFFJXOQIMAV-HZPDHXFCSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869413 1343807172 /nfs/dbraw/zinc/80/71/72/1343807172.db2.gz CWHNFFJXOQIMAV-HZPDHXFCSA-N 2 2 346.519 3.046 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037158596 1344008584 /nfs/dbraw/zinc/00/85/84/1344008584.db2.gz UCHRKAWSCURTCP-MSOLQXFVSA-N 2 2 346.519 3.106 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037244742 1344065140 /nfs/dbraw/zinc/06/51/40/1344065140.db2.gz GETATECRYKSSDR-ZWKOTPCHSA-N 2 2 346.519 3.106 20 0 EGADLP C[C@H](CC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718014 1345829877 /nfs/dbraw/zinc/82/98/77/1345829877.db2.gz WKPHYLZVPCHBQE-XLIONFOSSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718014 1345829878 /nfs/dbraw/zinc/82/98/78/1345829878.db2.gz WKPHYLZVPCHBQE-XLIONFOSSA-N 2 2 346.519 3.195 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001044189108 1346269883 /nfs/dbraw/zinc/26/98/83/1346269883.db2.gz UIRBQOWRVUTNQD-UHFFFAOYSA-N 2 2 346.519 3.190 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001044337073 1346301372 /nfs/dbraw/zinc/30/13/72/1346301372.db2.gz CEBJBYIVRRKYKR-FXAWDEMLSA-N 2 2 343.515 3.073 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001044337073 1346301373 /nfs/dbraw/zinc/30/13/73/1346301373.db2.gz CEBJBYIVRRKYKR-FXAWDEMLSA-N 2 2 343.515 3.073 20 0 EGADLP CC1(NC(=O)c2cccc3[nH+]ccn32)CC[NH+](CC2CCCC2)CC1 ZINC001045501373 1346611139 /nfs/dbraw/zinc/61/11/39/1346611139.db2.gz WWIUDDBUYVCRSH-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001045856543 1346722402 /nfs/dbraw/zinc/72/24/02/1346722402.db2.gz PDJWMHNXCDQUQV-KURKYZTESA-N 2 2 346.519 3.336 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001045856543 1346722405 /nfs/dbraw/zinc/72/24/05/1346722405.db2.gz PDJWMHNXCDQUQV-KURKYZTESA-N 2 2 346.519 3.336 20 0 EGADLP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045952549 1346788250 /nfs/dbraw/zinc/78/82/50/1346788250.db2.gz NNFQBWHQLRRDRS-HXUWFJFHSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045952549 1346788251 /nfs/dbraw/zinc/78/82/51/1346788251.db2.gz NNFQBWHQLRRDRS-HXUWFJFHSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512474 1346999810 /nfs/dbraw/zinc/99/98/10/1346999810.db2.gz FHXRKRYXIPJJHF-FQEVSTJZSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512474 1346999811 /nfs/dbraw/zinc/99/98/11/1346999811.db2.gz FHXRKRYXIPJJHF-FQEVSTJZSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048297856 1347512460 /nfs/dbraw/zinc/51/24/60/1347512460.db2.gz PTLGNMPBUYMVLT-PBHICJAKSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525284 1347892289 /nfs/dbraw/zinc/89/22/89/1347892289.db2.gz DEPITLRNVJCDQI-AHCXZYCDSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525284 1347892291 /nfs/dbraw/zinc/89/22/91/1347892291.db2.gz DEPITLRNVJCDQI-AHCXZYCDSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525284 1347892296 /nfs/dbraw/zinc/89/22/96/1347892296.db2.gz DEPITLRNVJCDQI-AHCXZYCDSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525284 1347892299 /nfs/dbraw/zinc/89/22/99/1347892299.db2.gz DEPITLRNVJCDQI-AHCXZYCDSA-N 2 2 344.503 3.015 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554003 1347906657 /nfs/dbraw/zinc/90/66/57/1347906657.db2.gz YSUXSBABCMAKON-JVPBZIDWSA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554003 1347906659 /nfs/dbraw/zinc/90/66/59/1347906659.db2.gz YSUXSBABCMAKON-JVPBZIDWSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849698 1348058060 /nfs/dbraw/zinc/05/80/60/1348058060.db2.gz PNLRYNYSIDKPEO-JKSUJKDBSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849698 1348058063 /nfs/dbraw/zinc/05/80/63/1348058063.db2.gz PNLRYNYSIDKPEO-JKSUJKDBSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)CC2)c(C)[nH+]1 ZINC001050347384 1348233610 /nfs/dbraw/zinc/23/36/10/1348233610.db2.gz GULDUFDJOPUQPG-IYARVYRRSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750533 1348661093 /nfs/dbraw/zinc/66/10/93/1348661093.db2.gz JWJUZOWOXUNLKD-IEBWSBKVSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750533 1348661094 /nfs/dbraw/zinc/66/10/94/1348661094.db2.gz JWJUZOWOXUNLKD-IEBWSBKVSA-N 2 2 340.471 3.074 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052823254 1348690606 /nfs/dbraw/zinc/69/06/06/1348690606.db2.gz DOABPPXOKPKBFK-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052823254 1348690608 /nfs/dbraw/zinc/69/06/08/1348690608.db2.gz DOABPPXOKPKBFK-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001079961227 1357439292 /nfs/dbraw/zinc/43/92/92/1357439292.db2.gz IVAJMJHSMFHPQC-FOIQADDNSA-N 2 2 348.450 3.122 20 0 EGADLP Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001079961227 1357439293 /nfs/dbraw/zinc/43/92/93/1357439293.db2.gz IVAJMJHSMFHPQC-FOIQADDNSA-N 2 2 348.450 3.122 20 0 EGADLP CCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510725 1354734659 /nfs/dbraw/zinc/73/46/59/1354734659.db2.gz FMXDUZKOWODUSO-WMLDXEAASA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510725 1354734661 /nfs/dbraw/zinc/73/46/61/1354734661.db2.gz FMXDUZKOWODUSO-WMLDXEAASA-N 2 2 328.460 3.026 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC001071610948 1354795218 /nfs/dbraw/zinc/79/52/18/1354795218.db2.gz YHZHPLAJMRMNCH-MAUKXSAKSA-N 2 2 348.450 3.346 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC001071610948 1354795221 /nfs/dbraw/zinc/79/52/21/1354795221.db2.gz YHZHPLAJMRMNCH-MAUKXSAKSA-N 2 2 348.450 3.346 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120423 1363635217 /nfs/dbraw/zinc/63/52/17/1363635217.db2.gz BCYAAVQVWLYYHF-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120423 1363635218 /nfs/dbraw/zinc/63/52/18/1363635218.db2.gz BCYAAVQVWLYYHF-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496255 1387313429 /nfs/dbraw/zinc/31/34/29/1387313429.db2.gz MAEZTTLSZZBGGN-PWBPZBFBSA-N 2 2 346.519 3.407 20 0 EGADLP Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086401768 1359088018 /nfs/dbraw/zinc/08/80/18/1359088018.db2.gz SMHJMDGBISQHNG-RZDIXWSQSA-N 2 2 348.450 3.170 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CCC2CCCC2)C1 ZINC001089505402 1360478396 /nfs/dbraw/zinc/47/83/96/1360478396.db2.gz GWIUURGYDXVNQD-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CCC2CCCC2)C1 ZINC001089505402 1360478399 /nfs/dbraw/zinc/47/83/99/1360478399.db2.gz GWIUURGYDXVNQD-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCCC2CCC2)C1 ZINC001089569130 1360514756 /nfs/dbraw/zinc/51/47/56/1360514756.db2.gz RTVYSYJPOXOOAJ-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089569130 1360514759 /nfs/dbraw/zinc/51/47/59/1360514759.db2.gz RTVYSYJPOXOOAJ-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C)nc(Cl)c1 ZINC001324226004 1387561613 /nfs/dbraw/zinc/56/16/13/1387561613.db2.gz VSUNPJACMIYXNH-UHFFFAOYSA-N 2 2 327.775 3.185 20 0 EGADLP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115574 1363631974 /nfs/dbraw/zinc/63/19/74/1363631974.db2.gz HMCONYGHNPEUOH-IRXDYDNUSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115574 1363631976 /nfs/dbraw/zinc/63/19/76/1363631976.db2.gz HMCONYGHNPEUOH-IRXDYDNUSA-N 2 2 334.508 3.097 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1)n1cc[nH+]c1 ZINC001099252111 1363715172 /nfs/dbraw/zinc/71/51/72/1363715172.db2.gz RYVCHTARAZXKQE-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1)n1cc[nH+]c1 ZINC001099252111 1363715174 /nfs/dbraw/zinc/71/51/74/1363715174.db2.gz RYVCHTARAZXKQE-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323834 1363750225 /nfs/dbraw/zinc/75/02/25/1363750225.db2.gz BNRPVPZKKXBWGH-LXXRFIIISA-N 2 2 346.519 3.224 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323834 1363750228 /nfs/dbraw/zinc/75/02/28/1363750228.db2.gz BNRPVPZKKXBWGH-LXXRFIIISA-N 2 2 346.519 3.224 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCCn2cc[nH+]c2)[N@H+](CC2CCC2)C1 ZINC001099359956 1363772338 /nfs/dbraw/zinc/77/23/38/1363772338.db2.gz UXQPNIFVWFOBNZ-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCCn2cc[nH+]c2)[N@@H+](CC2CCC2)C1 ZINC001099359956 1363772340 /nfs/dbraw/zinc/77/23/40/1363772340.db2.gz UXQPNIFVWFOBNZ-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099365172 1363775554 /nfs/dbraw/zinc/77/55/54/1363775554.db2.gz WPYAMQRWSPMOHV-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099365172 1363775557 /nfs/dbraw/zinc/77/55/57/1363775557.db2.gz WPYAMQRWSPMOHV-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[C@H](C)C[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001100541786 1364152905 /nfs/dbraw/zinc/15/29/05/1364152905.db2.gz ZNJOWZHLZGPXLJ-HJOIGYKYSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H](CC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001100716714 1364233431 /nfs/dbraw/zinc/23/34/31/1364233431.db2.gz NDMOQFUOAKINDG-IVMQYODDSA-N 2 2 344.503 3.209 20 0 EGADLP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536517 1364605048 /nfs/dbraw/zinc/60/50/48/1364605048.db2.gz MNAIJZPLHBKMDY-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001101548885 1364612299 /nfs/dbraw/zinc/61/22/99/1364612299.db2.gz PACVPPJHPFEHPL-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001101548885 1364612301 /nfs/dbraw/zinc/61/23/01/1364612301.db2.gz PACVPPJHPFEHPL-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479339 1365587317 /nfs/dbraw/zinc/58/73/17/1365587317.db2.gz LKKWBLQDHUVDMP-KZNAEPCWSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479339 1365587320 /nfs/dbraw/zinc/58/73/20/1365587320.db2.gz LKKWBLQDHUVDMP-KZNAEPCWSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665171 1366123606 /nfs/dbraw/zinc/12/36/06/1366123606.db2.gz OSUMNQWRCDHSNA-BRWVUGGUSA-N 2 2 346.519 3.094 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775896 1366167111 /nfs/dbraw/zinc/16/71/11/1366167111.db2.gz QGEQSYOSZIXTNV-YSEKLJNJSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775896 1366167116 /nfs/dbraw/zinc/16/71/16/1366167116.db2.gz QGEQSYOSZIXTNV-YSEKLJNJSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001324867745 1387797104 /nfs/dbraw/zinc/79/71/04/1387797104.db2.gz DLFHLGTVPMIXFO-QGZVFWFLSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001324867745 1387797107 /nfs/dbraw/zinc/79/71/07/1387797107.db2.gz DLFHLGTVPMIXFO-QGZVFWFLSA-N 2 2 348.535 3.243 20 0 EGADLP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551494 1366526411 /nfs/dbraw/zinc/52/64/11/1366526411.db2.gz DQYJMRCZXJTWNZ-GOSISDBHSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570595 1366537631 /nfs/dbraw/zinc/53/76/31/1366537631.db2.gz VTWSEOHEBHVFPT-KRWDZBQOSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818492 1367358218 /nfs/dbraw/zinc/35/82/18/1367358218.db2.gz QBLQDHLUBRHQPE-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818492 1367358221 /nfs/dbraw/zinc/35/82/21/1367358221.db2.gz QBLQDHLUBRHQPE-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321487 1367476833 /nfs/dbraw/zinc/47/68/33/1367476833.db2.gz VTLJMSJHMYUHNB-IRXDYDNUSA-N 2 2 342.487 3.163 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321487 1367476836 /nfs/dbraw/zinc/47/68/36/1367476836.db2.gz VTLJMSJHMYUHNB-IRXDYDNUSA-N 2 2 342.487 3.163 20 0 EGADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001110717828 1367946620 /nfs/dbraw/zinc/94/66/20/1367946620.db2.gz JWBYJRVCTNGGON-KYJSFNMBSA-N 2 2 344.434 3.038 20 0 EGADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001110717828 1367946623 /nfs/dbraw/zinc/94/66/23/1367946623.db2.gz JWBYJRVCTNGGON-KYJSFNMBSA-N 2 2 344.434 3.038 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001111008490 1368141766 /nfs/dbraw/zinc/14/17/66/1368141766.db2.gz XDXSIJSSVFUZRT-AHCXZYCDSA-N 2 2 344.503 3.131 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001111008490 1368141771 /nfs/dbraw/zinc/14/17/71/1368141771.db2.gz XDXSIJSSVFUZRT-AHCXZYCDSA-N 2 2 344.503 3.131 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001111074866 1368153177 /nfs/dbraw/zinc/15/31/77/1368153177.db2.gz FSROJJQXUFCTNJ-OWYHZJEWSA-N 2 2 342.487 3.056 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001111074866 1368153180 /nfs/dbraw/zinc/15/31/80/1368153180.db2.gz FSROJJQXUFCTNJ-OWYHZJEWSA-N 2 2 342.487 3.056 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194440099 1368262697 /nfs/dbraw/zinc/26/26/97/1368262697.db2.gz UAABBIKNSLMPRW-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194440099 1368262704 /nfs/dbraw/zinc/26/27/04/1368262704.db2.gz UAABBIKNSLMPRW-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113035225 1369155043 /nfs/dbraw/zinc/15/50/43/1369155043.db2.gz QKXCSWDQDXGEMG-GOSISDBHSA-N 2 2 349.494 3.151 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113035225 1369155047 /nfs/dbraw/zinc/15/50/47/1369155047.db2.gz QKXCSWDQDXGEMG-GOSISDBHSA-N 2 2 349.494 3.151 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001199608855 1369244044 /nfs/dbraw/zinc/24/40/44/1369244044.db2.gz NLYNDLFYEWBIRW-OAHLLOKOSA-N 2 2 331.851 3.389 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3cnc([C@H]4CCCO4)s3)cc2)c[nH+]1 ZINC001199896790 1369286412 /nfs/dbraw/zinc/28/64/12/1369286412.db2.gz QGZMUDONKNDBHN-QGZVFWFLSA-N 2 2 340.452 3.470 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001200822108 1369434227 /nfs/dbraw/zinc/43/42/27/1369434227.db2.gz RIRTVULUHOPDBV-XLIONFOSSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001200822108 1369434229 /nfs/dbraw/zinc/43/42/29/1369434229.db2.gz RIRTVULUHOPDBV-XLIONFOSSA-N 2 2 339.483 3.481 20 0 EGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(C(N)=O)cc2)c(C)c1 ZINC001201600120 1369587475 /nfs/dbraw/zinc/58/74/75/1369587475.db2.gz HIHACIGZLOWQGK-FQEVSTJZSA-N 2 2 348.450 3.130 20 0 EGADLP c1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001201660325 1369599089 /nfs/dbraw/zinc/59/90/89/1369599089.db2.gz ILGXIMVFOXPTHG-FGZHOGPDSA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001201660325 1369599096 /nfs/dbraw/zinc/59/90/96/1369599096.db2.gz ILGXIMVFOXPTHG-FGZHOGPDSA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001201660325 1369599101 /nfs/dbraw/zinc/59/91/01/1369599101.db2.gz ILGXIMVFOXPTHG-FGZHOGPDSA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001201660325 1369599105 /nfs/dbraw/zinc/59/91/05/1369599105.db2.gz ILGXIMVFOXPTHG-FGZHOGPDSA-N 2 2 335.495 3.468 20 0 EGADLP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001202110445 1369689471 /nfs/dbraw/zinc/68/94/71/1369689471.db2.gz ATWAUTSTWGPXET-KRWDZBQOSA-N 2 2 332.488 3.066 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446513 1369774637 /nfs/dbraw/zinc/77/46/37/1369774637.db2.gz CMUPNIFLBFDDMB-MRXNPFEDSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202694926 1369854348 /nfs/dbraw/zinc/85/43/48/1369854348.db2.gz WJXJKMYFTLEHJR-DLBZAZTESA-N 2 2 334.508 3.097 20 0 EGADLP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001202699723 1369856068 /nfs/dbraw/zinc/85/60/68/1369856068.db2.gz PVRBJKNFMNJYKV-QGZVFWFLSA-N 2 2 334.504 3.312 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCCc2nc(C)cs2)[C@H]2CCC[NH2+]2)cc1 ZINC001325716122 1388033656 /nfs/dbraw/zinc/03/36/56/1388033656.db2.gz FPTQRMYDUNOVTD-IEBWSBKVSA-N 2 2 345.512 3.476 20 0 EGADLP COc1cc(Nc2ccc(C)[nH+]c2C)ccc1N1CC[NH+](C)CC1 ZINC001203381171 1370106614 /nfs/dbraw/zinc/10/66/14/1370106614.db2.gz QJPBZUQFMFZVBM-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccnc1)C2 ZINC001204073625 1370368353 /nfs/dbraw/zinc/36/83/53/1370368353.db2.gz UWSCEIJWOWWVGH-UHFFFAOYSA-N 2 2 348.450 3.260 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cccnc1)C2 ZINC001204073625 1370368356 /nfs/dbraw/zinc/36/83/56/1370368356.db2.gz UWSCEIJWOWWVGH-UHFFFAOYSA-N 2 2 348.450 3.260 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccnc1)C2 ZINC001204073625 1370368362 /nfs/dbraw/zinc/36/83/62/1370368362.db2.gz UWSCEIJWOWWVGH-UHFFFAOYSA-N 2 2 348.450 3.260 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC001204073625 1370368366 /nfs/dbraw/zinc/36/83/66/1370368366.db2.gz UWSCEIJWOWWVGH-UHFFFAOYSA-N 2 2 348.450 3.260 20 0 EGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001204289114 1370432509 /nfs/dbraw/zinc/43/25/09/1370432509.db2.gz JYMZZFNNICDYDA-UHFFFAOYSA-N 2 2 347.422 3.267 20 0 EGADLP Cc1[nH]c2ccccc2c1C[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001204289114 1370432512 /nfs/dbraw/zinc/43/25/12/1370432512.db2.gz JYMZZFNNICDYDA-UHFFFAOYSA-N 2 2 347.422 3.267 20 0 EGADLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001204317420 1370441815 /nfs/dbraw/zinc/44/18/15/1370441815.db2.gz UWCKDNDFRZSLRS-OALUTQOASA-N 2 2 346.478 3.137 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001204508517 1370497587 /nfs/dbraw/zinc/49/75/87/1370497587.db2.gz GRSDVCDNYLMVGH-RTBURBONSA-N 2 2 325.431 3.093 20 0 EGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001204782637 1370575032 /nfs/dbraw/zinc/57/50/32/1370575032.db2.gz HUMCHTXSIZTOFU-KRWDZBQOSA-N 2 2 346.272 3.434 20 0 EGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001204782637 1370575037 /nfs/dbraw/zinc/57/50/37/1370575037.db2.gz HUMCHTXSIZTOFU-KRWDZBQOSA-N 2 2 346.272 3.434 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)(F)F)c2)C1 ZINC001205009507 1370627469 /nfs/dbraw/zinc/62/74/69/1370627469.db2.gz VNVHODSFRZLILK-ZDUSSCGKSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC(F)(F)F)c2)C1 ZINC001205009507 1370627475 /nfs/dbraw/zinc/62/74/75/1370627475.db2.gz VNVHODSFRZLILK-ZDUSSCGKSA-N 2 2 332.366 3.025 20 0 EGADLP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205018369 1370629943 /nfs/dbraw/zinc/62/99/43/1370629943.db2.gz UDASKUFIHQBLDN-CYBMUJFWSA-N 2 2 325.294 3.443 20 0 EGADLP CCc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205018369 1370629947 /nfs/dbraw/zinc/62/99/47/1370629947.db2.gz UDASKUFIHQBLDN-CYBMUJFWSA-N 2 2 325.294 3.443 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001205330969 1370723175 /nfs/dbraw/zinc/72/31/75/1370723175.db2.gz BHHVRTHONWNJBC-LBPRGKRZSA-N 2 2 338.377 3.279 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001205330969 1370723177 /nfs/dbraw/zinc/72/31/77/1370723177.db2.gz BHHVRTHONWNJBC-LBPRGKRZSA-N 2 2 338.377 3.279 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CC2CCC2)CCCCC1)n1cc[nH+]c1 ZINC001115752563 1370734593 /nfs/dbraw/zinc/73/45/93/1370734593.db2.gz JNSKERJBVKWDRO-MRXNPFEDSA-N 2 2 332.492 3.043 20 0 EGADLP C[N@@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC001205376756 1370735711 /nfs/dbraw/zinc/73/57/11/1370735711.db2.gz NLUHXCKJVJQWPU-KRWDZBQOSA-N 2 2 335.451 3.255 20 0 EGADLP C[N@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC001205376756 1370735712 /nfs/dbraw/zinc/73/57/12/1370735712.db2.gz NLUHXCKJVJQWPU-KRWDZBQOSA-N 2 2 335.451 3.255 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205432812 1370753594 /nfs/dbraw/zinc/75/35/94/1370753594.db2.gz INDUYUPRQMQIBK-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205432812 1370753596 /nfs/dbraw/zinc/75/35/96/1370753596.db2.gz INDUYUPRQMQIBK-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790708 1370773118 /nfs/dbraw/zinc/77/31/18/1370773118.db2.gz YBEAWQHYVKCUBQ-MRXNPFEDSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC001116061465 1370829501 /nfs/dbraw/zinc/82/95/01/1370829501.db2.gz HBNAAYOVZJADTK-UHFFFAOYSA-N 2 2 331.379 3.238 20 0 EGADLP Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205795934 1370874161 /nfs/dbraw/zinc/87/41/61/1370874161.db2.gz MCKZPFSGKWSKED-QGZVFWFLSA-N 2 2 331.410 3.473 20 0 EGADLP Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cnc1-c1ccccc1 ZINC001205795934 1370874166 /nfs/dbraw/zinc/87/41/66/1370874166.db2.gz MCKZPFSGKWSKED-QGZVFWFLSA-N 2 2 331.410 3.473 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205854389 1370892539 /nfs/dbraw/zinc/89/25/39/1370892539.db2.gz KJAZBJURMHJDCM-YJBOKZPZSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205854389 1370892546 /nfs/dbraw/zinc/89/25/46/1370892546.db2.gz KJAZBJURMHJDCM-YJBOKZPZSA-N 2 2 325.456 3.316 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856265 1370893729 /nfs/dbraw/zinc/89/37/29/1370893729.db2.gz UGUFLDGFIVRDHV-WMLDXEAASA-N 2 2 329.488 3.472 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856265 1370893736 /nfs/dbraw/zinc/89/37/36/1370893736.db2.gz UGUFLDGFIVRDHV-WMLDXEAASA-N 2 2 329.488 3.472 20 0 EGADLP Cc1nc(C)c(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)s1 ZINC001206151337 1370972937 /nfs/dbraw/zinc/97/29/37/1370972937.db2.gz SUFWZMOJXDGPSI-SFHVURJKSA-N 2 2 337.533 3.083 20 0 EGADLP Cc1nc(C)c(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)s1 ZINC001206151337 1370972941 /nfs/dbraw/zinc/97/29/41/1370972941.db2.gz SUFWZMOJXDGPSI-SFHVURJKSA-N 2 2 337.533 3.083 20 0 EGADLP Cc1nc(C)c(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001206151337 1370972947 /nfs/dbraw/zinc/97/29/47/1370972947.db2.gz SUFWZMOJXDGPSI-SFHVURJKSA-N 2 2 337.533 3.083 20 0 EGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001206151337 1370972949 /nfs/dbraw/zinc/97/29/49/1370972949.db2.gz SUFWZMOJXDGPSI-SFHVURJKSA-N 2 2 337.533 3.083 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2c1 ZINC001206173637 1370980219 /nfs/dbraw/zinc/98/02/19/1370980219.db2.gz IXONXWVLQBWVMG-CABCVRRESA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2c1 ZINC001206173637 1370980224 /nfs/dbraw/zinc/98/02/24/1370980224.db2.gz IXONXWVLQBWVMG-CABCVRRESA-N 2 2 337.826 3.158 20 0 EGADLP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238166 1370999654 /nfs/dbraw/zinc/99/96/54/1370999654.db2.gz JOVIKSCTZLAJGJ-CWIOURORSA-N 2 2 344.503 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001116913279 1370999729 /nfs/dbraw/zinc/99/97/29/1370999729.db2.gz DGCRJDWPBILNQK-JKSUJKDBSA-N 2 2 336.370 3.457 20 0 EGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336297 1371027162 /nfs/dbraw/zinc/02/71/62/1371027162.db2.gz LDPAECBPFMCVFU-HXUWFJFHSA-N 3 2 333.495 3.052 20 0 EGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336297 1371027167 /nfs/dbraw/zinc/02/71/67/1371027167.db2.gz LDPAECBPFMCVFU-HXUWFJFHSA-N 3 2 333.495 3.052 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206381424 1371039778 /nfs/dbraw/zinc/03/97/78/1371039778.db2.gz YKOKRLFPFMNSKC-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206381424 1371039781 /nfs/dbraw/zinc/03/97/81/1371039781.db2.gz YKOKRLFPFMNSKC-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1[C@H](C)[NH3+] ZINC001206526066 1371084068 /nfs/dbraw/zinc/08/40/68/1371084068.db2.gz IKMGEBQZLSDVPV-HNNXBMFYSA-N 2 2 326.440 3.214 20 0 EGADLP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1OC ZINC001206548869 1371090532 /nfs/dbraw/zinc/09/05/32/1371090532.db2.gz KDEPFMZOMHAOBV-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1OC ZINC001206548869 1371090536 /nfs/dbraw/zinc/09/05/36/1371090536.db2.gz KDEPFMZOMHAOBV-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)cc(Br)c2)C1 ZINC001206563872 1371095503 /nfs/dbraw/zinc/09/55/03/1371095503.db2.gz JJSMUBQGPWWQPD-HNNXBMFYSA-N 2 2 327.266 3.106 20 0 EGADLP CC(C)Oc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)cn1 ZINC001206652528 1371121795 /nfs/dbraw/zinc/12/17/95/1371121795.db2.gz LIUKPNAZCXJUMA-MRXNPFEDSA-N 2 2 329.419 3.208 20 0 EGADLP CC(C)Oc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)cn1 ZINC001206652528 1371121798 /nfs/dbraw/zinc/12/17/98/1371121798.db2.gz LIUKPNAZCXJUMA-MRXNPFEDSA-N 2 2 329.419 3.208 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC001206660724 1371124143 /nfs/dbraw/zinc/12/41/43/1371124143.db2.gz HATCCDPFZQPOMQ-PZJWPPBQSA-N 2 2 329.532 3.361 20 0 EGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001206747874 1371152229 /nfs/dbraw/zinc/15/22/29/1371152229.db2.gz BMKPWNUYMZBAJM-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001206747874 1371152232 /nfs/dbraw/zinc/15/22/32/1371152232.db2.gz BMKPWNUYMZBAJM-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001206747874 1371152236 /nfs/dbraw/zinc/15/22/36/1371152236.db2.gz BMKPWNUYMZBAJM-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001206747874 1371152239 /nfs/dbraw/zinc/15/22/39/1371152239.db2.gz BMKPWNUYMZBAJM-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cs2)cc1 ZINC001206806716 1371174831 /nfs/dbraw/zinc/17/48/31/1371174831.db2.gz HFINFMLYHMJLHL-ZIAGYGMSSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cs2)cc1 ZINC001206806716 1371174835 /nfs/dbraw/zinc/17/48/35/1371174835.db2.gz HFINFMLYHMJLHL-ZIAGYGMSSA-N 2 2 331.485 3.378 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062641 1371283384 /nfs/dbraw/zinc/28/33/84/1371283384.db2.gz HFPGVLAJWFXBPN-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062641 1371283389 /nfs/dbraw/zinc/28/33/89/1371283389.db2.gz HFPGVLAJWFXBPN-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062641 1371283391 /nfs/dbraw/zinc/28/33/91/1371283391.db2.gz HFPGVLAJWFXBPN-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062641 1371283398 /nfs/dbraw/zinc/28/33/98/1371283398.db2.gz HFPGVLAJWFXBPN-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cn1 ZINC001207081355 1371287827 /nfs/dbraw/zinc/28/78/27/1371287827.db2.gz NCZPXQUHVUSTFT-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1cnc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cn1 ZINC001207081355 1371287830 /nfs/dbraw/zinc/28/78/30/1371287830.db2.gz NCZPXQUHVUSTFT-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1cnc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cn1 ZINC001207081355 1371287832 /nfs/dbraw/zinc/28/78/32/1371287832.db2.gz NCZPXQUHVUSTFT-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1cnc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cn1 ZINC001207081355 1371287839 /nfs/dbraw/zinc/28/78/39/1371287839.db2.gz NCZPXQUHVUSTFT-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP CC(C)[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207213371 1371330912 /nfs/dbraw/zinc/33/09/12/1371330912.db2.gz CMSSONAOTHMPHS-INIZCTEOSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207213371 1371330917 /nfs/dbraw/zinc/33/09/17/1371330917.db2.gz CMSSONAOTHMPHS-INIZCTEOSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC(C(=O)c2ccc(F)cc2F)CC1 ZINC001207282864 1371350153 /nfs/dbraw/zinc/35/01/53/1371350153.db2.gz QBYAPQPZSGUKHQ-UHFFFAOYSA-N 2 2 338.442 3.447 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288201 1371351377 /nfs/dbraw/zinc/35/13/77/1371351377.db2.gz JIXFKIXRCRBXNO-PMACEKPBSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288201 1371351380 /nfs/dbraw/zinc/35/13/80/1371351380.db2.gz JIXFKIXRCRBXNO-PMACEKPBSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288201 1371351385 /nfs/dbraw/zinc/35/13/85/1371351385.db2.gz JIXFKIXRCRBXNO-PMACEKPBSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288201 1371351389 /nfs/dbraw/zinc/35/13/89/1371351389.db2.gz JIXFKIXRCRBXNO-PMACEKPBSA-N 3 2 329.532 3.028 20 0 EGADLP CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207440665 1371397120 /nfs/dbraw/zinc/39/71/20/1371397120.db2.gz BJUJHUWFZNOYQM-UHFFFAOYSA-N 2 2 342.462 3.240 20 0 EGADLP CC1(C)c2nc(-c3ccc(F)cc3)cn2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207440665 1371397126 /nfs/dbraw/zinc/39/71/26/1371397126.db2.gz BJUJHUWFZNOYQM-UHFFFAOYSA-N 2 2 342.462 3.240 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001207659000 1371466789 /nfs/dbraw/zinc/46/67/89/1371466789.db2.gz CTHNKHGGGQNLCH-QRQLOZEOSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001207659000 1371466791 /nfs/dbraw/zinc/46/67/91/1371466791.db2.gz CTHNKHGGGQNLCH-QRQLOZEOSA-N 2 2 346.519 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001120068707 1371476979 /nfs/dbraw/zinc/47/69/79/1371476979.db2.gz NMVRRJWPLNULGP-UHFFFAOYSA-N 2 2 346.519 3.250 20 0 EGADLP CC1(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)COC1 ZINC001207794864 1371506498 /nfs/dbraw/zinc/50/64/98/1371506498.db2.gz MNMUIXDVZAIXMR-UHFFFAOYSA-N 2 2 331.847 3.047 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207958327 1371551572 /nfs/dbraw/zinc/55/15/72/1371551572.db2.gz FCYXYLMBRYMDHZ-GOSISDBHSA-N 2 2 347.503 3.291 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207958327 1371551574 /nfs/dbraw/zinc/55/15/74/1371551574.db2.gz FCYXYLMBRYMDHZ-GOSISDBHSA-N 2 2 347.503 3.291 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001120467370 1371586010 /nfs/dbraw/zinc/58/60/10/1371586010.db2.gz KQXRVPMBQPMWKY-QMMLZNLJSA-N 2 2 349.478 3.458 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001208386895 1371746826 /nfs/dbraw/zinc/74/68/26/1371746826.db2.gz KDHVQAUOHJRASF-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001208386896 1371746962 /nfs/dbraw/zinc/74/69/62/1371746962.db2.gz KDHVQAUOHJRASF-ROUUACIJSA-N 2 2 348.535 3.487 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001208411173 1371757659 /nfs/dbraw/zinc/75/76/59/1371757659.db2.gz OLGXFXKVQKEAJV-WMZOPIPTSA-N 2 2 348.535 3.189 20 0 EGADLP CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420484 1371762053 /nfs/dbraw/zinc/76/20/53/1371762053.db2.gz MKWUPHFEKWXKOT-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)C1 ZINC001208605255 1371837817 /nfs/dbraw/zinc/83/78/17/1371837817.db2.gz BJQLEDDHSUIRPB-OAHLLOKOSA-N 2 2 330.447 3.088 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)C1 ZINC001208605255 1371837824 /nfs/dbraw/zinc/83/78/24/1371837824.db2.gz BJQLEDDHSUIRPB-OAHLLOKOSA-N 2 2 330.447 3.088 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208741402 1371881926 /nfs/dbraw/zinc/88/19/26/1371881926.db2.gz YKFIDKWBZHRLRH-LJQANCHMSA-N 2 2 336.907 3.458 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208741402 1371881928 /nfs/dbraw/zinc/88/19/28/1371881928.db2.gz YKFIDKWBZHRLRH-LJQANCHMSA-N 2 2 336.907 3.458 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212474 1371893123 /nfs/dbraw/zinc/89/31/23/1371893123.db2.gz LIECWJQRZSNBGD-UHFFFAOYSA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212474 1371893128 /nfs/dbraw/zinc/89/31/28/1371893128.db2.gz LIECWJQRZSNBGD-UHFFFAOYSA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212477 1371893277 /nfs/dbraw/zinc/89/32/77/1371893277.db2.gz LLHZLWKNPHQZOW-YUCHZMFVSA-N 2 2 346.519 3.042 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212477 1371893283 /nfs/dbraw/zinc/89/32/83/1371893283.db2.gz LLHZLWKNPHQZOW-YUCHZMFVSA-N 2 2 346.519 3.042 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccncc1)[C@H]2C ZINC001209187091 1372031254 /nfs/dbraw/zinc/03/12/54/1372031254.db2.gz YQMFXILSZHBONY-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccncc1)[C@H]2C ZINC001209187091 1372031257 /nfs/dbraw/zinc/03/12/57/1372031257.db2.gz YQMFXILSZHBONY-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1ccncc1)[C@H]2C ZINC001209187091 1372031262 /nfs/dbraw/zinc/03/12/62/1372031262.db2.gz YQMFXILSZHBONY-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1ccncc1)[C@H]2C ZINC001209187091 1372031264 /nfs/dbraw/zinc/03/12/64/1372031264.db2.gz YQMFXILSZHBONY-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448147 1372107915 /nfs/dbraw/zinc/10/79/15/1372107915.db2.gz NWXXPFWQWLBTCR-QGZVFWFLSA-N 2 2 339.524 3.051 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448147 1372107918 /nfs/dbraw/zinc/10/79/18/1372107918.db2.gz NWXXPFWQWLBTCR-QGZVFWFLSA-N 2 2 339.524 3.051 20 0 EGADLP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC001209452895 1372110348 /nfs/dbraw/zinc/11/03/48/1372110348.db2.gz UXCFKWSWWMOZFG-UXHICEINSA-N 2 2 344.499 3.489 20 0 EGADLP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC001209452895 1372110353 /nfs/dbraw/zinc/11/03/53/1372110353.db2.gz UXCFKWSWWMOZFG-UXHICEINSA-N 2 2 344.499 3.489 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001209491237 1372118907 /nfs/dbraw/zinc/11/89/07/1372118907.db2.gz BNYRVCLNOOLNTC-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515600 1372126383 /nfs/dbraw/zinc/12/63/83/1372126383.db2.gz WGEFMVIPDUGDNA-UHFFFAOYSA-N 2 2 327.472 3.243 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515600 1372126385 /nfs/dbraw/zinc/12/63/85/1372126385.db2.gz WGEFMVIPDUGDNA-UHFFFAOYSA-N 2 2 327.472 3.243 20 0 EGADLP Nc1cc[nH+]cc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001209731114 1372178935 /nfs/dbraw/zinc/17/89/35/1372178935.db2.gz NTQRSRMNWXASFU-UHFFFAOYSA-N 2 2 337.254 3.123 20 0 EGADLP Cc1[nH+]cc(Nc2ccc(OCC3CC[NH+](C)CC3)cc2)cc1N ZINC001210291653 1372315158 /nfs/dbraw/zinc/31/51/58/1372315158.db2.gz PKJBSVZFJDVCLD-UHFFFAOYSA-N 2 2 326.444 3.436 20 0 EGADLP C[NH2+]CC1C[NH+](Cc2c[nH]c3cc(OCc4ccccc4)ccc23)C1 ZINC001210561178 1372379043 /nfs/dbraw/zinc/37/90/43/1372379043.db2.gz HVTQKWBSXHPCFB-UHFFFAOYSA-N 2 2 335.451 3.398 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001126448680 1372966298 /nfs/dbraw/zinc/96/62/98/1372966298.db2.gz WSDMQSPQLMUBOS-OAHLLOKOSA-N 2 2 342.487 3.107 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4cccc5c4C[NH2+]CC5)n3)cc2)c[nH+]1 ZINC001217191813 1373402238 /nfs/dbraw/zinc/40/22/38/1373402238.db2.gz RABAGYHEIQURNE-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001218390135 1373604917 /nfs/dbraw/zinc/60/49/17/1373604917.db2.gz FYSRIHAWJKJXPF-GOSISDBHSA-N 2 2 342.414 3.011 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC001218390135 1373604924 /nfs/dbraw/zinc/60/49/24/1373604924.db2.gz FYSRIHAWJKJXPF-GOSISDBHSA-N 2 2 342.414 3.011 20 0 EGADLP [NH3+][C@H](CC(=O)Nc1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)cc1 ZINC001218498996 1373627403 /nfs/dbraw/zinc/62/74/03/1373627403.db2.gz KZNBOZJEDKTZQM-CYBMUJFWSA-N 2 2 348.328 3.382 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1 ZINC001218525373 1373629856 /nfs/dbraw/zinc/62/98/56/1373629856.db2.gz YQYHACHCVWDIFV-HNNXBMFYSA-N 2 2 338.436 3.021 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCc2ccc(Cl)cc2)c(C)[nH+]1 ZINC001131560443 1373721977 /nfs/dbraw/zinc/72/19/77/1373721977.db2.gz NGSUUBSYVARWKT-UHFFFAOYSA-N 2 2 345.874 3.222 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)C1 ZINC001326835197 1388325709 /nfs/dbraw/zinc/32/57/09/1388325709.db2.gz SAHDQWWGNSBOHZ-IRXDYDNUSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)C1 ZINC001326835197 1388325713 /nfs/dbraw/zinc/32/57/13/1388325713.db2.gz SAHDQWWGNSBOHZ-IRXDYDNUSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001224795471 1375077009 /nfs/dbraw/zinc/07/70/09/1375077009.db2.gz IJMLESMULQIEFL-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001224795471 1375077016 /nfs/dbraw/zinc/07/70/16/1375077016.db2.gz IJMLESMULQIEFL-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024970 1375104752 /nfs/dbraw/zinc/10/47/52/1375104752.db2.gz KWEYYDCXNHOVLS-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132024970 1375104754 /nfs/dbraw/zinc/10/47/54/1375104754.db2.gz KWEYYDCXNHOVLS-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132195428 1375200960 /nfs/dbraw/zinc/20/09/60/1375200960.db2.gz OSRLEFAYNCJDHH-IAGOWNOFSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCCC(C)(C)C ZINC001132195428 1375200963 /nfs/dbraw/zinc/20/09/63/1375200963.db2.gz OSRLEFAYNCJDHH-IAGOWNOFSA-N 2 2 348.535 3.148 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226686734 1375309076 /nfs/dbraw/zinc/30/90/76/1375309076.db2.gz IZLNIIXZXANBTP-IFOCYFHOSA-N 2 2 332.492 3.106 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226686734 1375309078 /nfs/dbraw/zinc/30/90/78/1375309078.db2.gz IZLNIIXZXANBTP-IFOCYFHOSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC1CCCC1 ZINC001132546727 1375453843 /nfs/dbraw/zinc/45/38/43/1375453843.db2.gz QQLKYFUVBGIFMN-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC1CCCC1 ZINC001132546727 1375453846 /nfs/dbraw/zinc/45/38/46/1375453846.db2.gz QQLKYFUVBGIFMN-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C\Cl)c(C)[nH+]1 ZINC001227637497 1375457644 /nfs/dbraw/zinc/45/76/44/1375457644.db2.gz XWLOZSXMQIRVRE-PDTSHOSPSA-N 2 2 335.879 3.390 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529567 1375587990 /nfs/dbraw/zinc/58/79/90/1375587990.db2.gz UDWFHPVTKCDNBG-SHWSTLTGSA-N 2 2 344.503 3.203 20 0 EGADLP COc1ccccc1C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC001327152303 1388407248 /nfs/dbraw/zinc/40/72/48/1388407248.db2.gz XXLZFOSAPGSMJK-GOSISDBHSA-N 2 2 344.499 3.307 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933307 1375921069 /nfs/dbraw/zinc/92/10/69/1375921069.db2.gz KMBSZNUPJXZNFM-MBZYTVFJSA-N 2 2 332.492 3.024 20 0 EGADLP Nc1[nH]c2cc(O[C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)ccc2[nH+]1 ZINC001230518913 1376051499 /nfs/dbraw/zinc/05/14/99/1376051499.db2.gz WCMIESUEIHZOLP-OAHLLOKOSA-N 2 2 342.830 3.452 20 0 EGADLP Nc1[nH]c2cc(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)ccc2[nH+]1 ZINC001230518913 1376051510 /nfs/dbraw/zinc/05/15/10/1376051510.db2.gz WCMIESUEIHZOLP-OAHLLOKOSA-N 2 2 342.830 3.452 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013091 1376381734 /nfs/dbraw/zinc/38/17/34/1376381734.db2.gz XTARYKCCIPMIMV-IYBDPMFKSA-N 3 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013091 1376381749 /nfs/dbraw/zinc/38/17/49/1376381749.db2.gz XTARYKCCIPMIMV-IYBDPMFKSA-N 3 2 338.480 3.188 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013091 1376381758 /nfs/dbraw/zinc/38/17/58/1376381758.db2.gz XTARYKCCIPMIMV-IYBDPMFKSA-N 3 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013091 1376381761 /nfs/dbraw/zinc/38/17/61/1376381761.db2.gz XTARYKCCIPMIMV-IYBDPMFKSA-N 3 2 338.480 3.188 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(C)n1 ZINC001232080657 1376396608 /nfs/dbraw/zinc/39/66/08/1376396608.db2.gz HDNOXCNULMSAPA-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(C)n1 ZINC001232080657 1376396615 /nfs/dbraw/zinc/39/66/15/1376396615.db2.gz HDNOXCNULMSAPA-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(C)n1 ZINC001232080657 1376396620 /nfs/dbraw/zinc/39/66/20/1376396620.db2.gz HDNOXCNULMSAPA-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(C)n1 ZINC001232080657 1376396628 /nfs/dbraw/zinc/39/66/28/1376396628.db2.gz HDNOXCNULMSAPA-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP c1c2ccncc2[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232094133 1376398906 /nfs/dbraw/zinc/39/89/06/1376398906.db2.gz JSTDZBUIZQGTOC-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1ccc(OC(C)C)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001232395506 1376455617 /nfs/dbraw/zinc/45/56/17/1376455617.db2.gz BPIDKPJDMLKYJW-UHFFFAOYSA-N 2 2 345.487 3.412 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CCCCC2)c[nH+]1 ZINC001134728818 1376681379 /nfs/dbraw/zinc/68/13/79/1376681379.db2.gz BWCXRWCXZVRPNP-HOTGVXAUSA-N 2 2 348.535 3.380 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729785 1376682455 /nfs/dbraw/zinc/68/24/55/1376682455.db2.gz MTCWLQJOWHDPKL-GJZGRUSLSA-N 2 2 336.524 3.236 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccsc2)c[nH+]1 ZINC001134729942 1376682626 /nfs/dbraw/zinc/68/26/26/1376682626.db2.gz QAFZVPXIWUOCGL-ZIAGYGMSSA-N 2 2 348.516 3.061 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001134743662 1376692162 /nfs/dbraw/zinc/69/21/62/1376692162.db2.gz AYPJDSGXFHDJRY-CVEARBPZSA-N 2 2 346.519 3.300 20 0 EGADLP Brc1ccc2sc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2c1 ZINC001235027180 1376830637 /nfs/dbraw/zinc/83/06/37/1376830637.db2.gz WCPZJKMORFWMPS-SMDDNHRTSA-N 2 2 337.286 3.458 20 0 EGADLP Brc1ccc2sc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2c1 ZINC001235027180 1376830658 /nfs/dbraw/zinc/83/06/58/1376830658.db2.gz WCPZJKMORFWMPS-SMDDNHRTSA-N 2 2 337.286 3.458 20 0 EGADLP Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235116804 1376849418 /nfs/dbraw/zinc/84/94/18/1376849418.db2.gz ZJESFTGJLSMWMP-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(-c2cccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235116804 1376849420 /nfs/dbraw/zinc/84/94/20/1376849420.db2.gz ZJESFTGJLSMWMP-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)o1 ZINC001235121632 1376853068 /nfs/dbraw/zinc/85/30/68/1376853068.db2.gz VFWJSLQUKAPFIE-FQEVSTJZSA-N 2 2 326.440 3.209 20 0 EGADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)o1 ZINC001235121632 1376853081 /nfs/dbraw/zinc/85/30/81/1376853081.db2.gz VFWJSLQUKAPFIE-FQEVSTJZSA-N 2 2 326.440 3.209 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCOC(C)C)c(C)[nH+]1 ZINC001135043117 1376864969 /nfs/dbraw/zinc/86/49/69/1376864969.db2.gz HCURLZAMMRSBBW-NVXWUHKLSA-N 2 2 349.519 3.308 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCOC(C)C)c(C)[nH+]1 ZINC001135043119 1376865437 /nfs/dbraw/zinc/86/54/37/1376865437.db2.gz HCURLZAMMRSBBW-WBVHZDCISA-N 2 2 349.519 3.308 20 0 EGADLP Oc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428358 1376870149 /nfs/dbraw/zinc/87/01/49/1376870149.db2.gz PORHNILZPFTYEW-QWHCGFSZSA-N 2 2 326.843 3.396 20 0 EGADLP Oc1cc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428358 1376870155 /nfs/dbraw/zinc/87/01/55/1376870155.db2.gz PORHNILZPFTYEW-QWHCGFSZSA-N 2 2 326.843 3.396 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001135055740 1376870449 /nfs/dbraw/zinc/87/04/49/1376870449.db2.gz HLZYIAUYJOZOLN-HZPDHXFCSA-N 2 2 336.524 3.052 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CCC1=CCCCC1 ZINC001135055138 1376870988 /nfs/dbraw/zinc/87/09/88/1376870988.db2.gz DAXASMOIFNHBKA-SJORKVTESA-N 2 2 346.519 3.116 20 0 EGADLP Fc1cc(Cl)c(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001235703899 1376885211 /nfs/dbraw/zinc/88/52/11/1376885211.db2.gz VESQZMUBVJITLG-UHFFFAOYSA-N 2 2 346.277 3.002 20 0 EGADLP CC1(N2CC[NH+](Cc3cc4cc(Cl)ccc4[nH]3)CC2)CC[NH2+]CC1 ZINC001235816680 1376898965 /nfs/dbraw/zinc/89/89/65/1376898965.db2.gz WCGWUKZKXMJCCH-UHFFFAOYSA-N 2 2 346.906 3.081 20 0 EGADLP CC1([NH+]2CCN(Cc3cc4cc(Cl)ccc4[nH]3)CC2)CC[NH2+]CC1 ZINC001235816680 1376898971 /nfs/dbraw/zinc/89/89/71/1376898971.db2.gz WCGWUKZKXMJCCH-UHFFFAOYSA-N 2 2 346.906 3.081 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)o1 ZINC001236737357 1376963465 /nfs/dbraw/zinc/96/34/65/1376963465.db2.gz JOQIHTRMOUQSMD-QZTJIDSGSA-N 2 2 333.435 3.392 20 0 EGADLP CCC[N@@H+](Cc1cc(OC)c(Cl)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236845050 1376966116 /nfs/dbraw/zinc/96/61/16/1376966116.db2.gz YILYOHWYCQCZDS-NSHDSACASA-N 2 2 332.822 3.448 20 0 EGADLP CCC[N@H+](Cc1cc(OC)c(Cl)c(F)c1F)C[C@H]1CC[NH2+]C1 ZINC001236845050 1376966127 /nfs/dbraw/zinc/96/61/27/1376966127.db2.gz YILYOHWYCQCZDS-NSHDSACASA-N 2 2 332.822 3.448 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c(C)s1 ZINC001136035460 1377306766 /nfs/dbraw/zinc/30/67/66/1377306766.db2.gz OWGLBDDAXUDAPX-NEPJUHHUSA-N 2 2 348.516 3.012 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c(C)s1 ZINC001136035463 1377306833 /nfs/dbraw/zinc/30/68/33/1377306833.db2.gz OWGLBDDAXUDAPX-VXGBXAGGSA-N 2 2 348.516 3.012 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CCC1CCCCC1 ZINC001136052066 1377314020 /nfs/dbraw/zinc/31/40/20/1377314020.db2.gz KKQGORZXKBWOHA-SJORKVTESA-N 2 2 348.535 3.196 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001136057492 1377317136 /nfs/dbraw/zinc/31/71/36/1377317136.db2.gz YPXWKDVXCMPMRB-HZPDHXFCSA-N 2 2 336.524 3.052 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268075361 1377485109 /nfs/dbraw/zinc/48/51/09/1377485109.db2.gz NUCUIUFZEBCQPI-HOTGVXAUSA-N 2 2 336.439 3.146 20 0 EGADLP Cc1cccc2ncc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)n21 ZINC001137200281 1377496116 /nfs/dbraw/zinc/49/61/16/1377496116.db2.gz ZMXNMPLNLJVDNM-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2ncc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)n21 ZINC001137200281 1377496117 /nfs/dbraw/zinc/49/61/17/1377496117.db2.gz ZMXNMPLNLJVDNM-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP CC(C)(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001137373563 1377535098 /nfs/dbraw/zinc/53/50/98/1377535098.db2.gz DNRWELAJZSLHPF-ROUUACIJSA-N 2 2 338.499 3.271 20 0 EGADLP CCC/C=C/CC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001268984695 1377535442 /nfs/dbraw/zinc/53/54/42/1377535442.db2.gz TZXOVKZSCGJDAM-UHDDOPSISA-N 2 2 344.503 3.181 20 0 EGADLP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cscn4)CC3)C2)c1 ZINC001137592581 1377568758 /nfs/dbraw/zinc/56/87/58/1377568758.db2.gz UIZHMIMAEZNTNI-UHFFFAOYSA-N 2 2 349.525 3.072 20 0 EGADLP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cscn4)CC3)C2)c1 ZINC001137592581 1377568760 /nfs/dbraw/zinc/56/87/60/1377568760.db2.gz UIZHMIMAEZNTNI-UHFFFAOYSA-N 2 2 349.525 3.072 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5ncccc45)C[C@@H]3C2)c1 ZINC001137625021 1377574706 /nfs/dbraw/zinc/57/47/06/1377574706.db2.gz GUWRENSQGOUOFV-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001270456445 1377606768 /nfs/dbraw/zinc/60/67/68/1377606768.db2.gz OWXLGPFKNYFUEQ-SQNIBIBYSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001270456445 1377606771 /nfs/dbraw/zinc/60/67/71/1377606771.db2.gz OWXLGPFKNYFUEQ-SQNIBIBYSA-N 2 2 346.519 3.234 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3Cl)C[C@@H]2C1 ZINC001137827331 1377623634 /nfs/dbraw/zinc/62/36/34/1377623634.db2.gz LMDFKDFLCYTMDL-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)ccc3Cl)C[C@@H]2C1 ZINC001137827331 1377623629 /nfs/dbraw/zinc/62/36/29/1377623629.db2.gz LMDFKDFLCYTMDL-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Br)ccc3Cl)C[C@@H]2C1 ZINC001137827331 1377623630 /nfs/dbraw/zinc/62/36/30/1377623630.db2.gz LMDFKDFLCYTMDL-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3Cl)C[C@@H]2C1 ZINC001137827331 1377623632 /nfs/dbraw/zinc/62/36/32/1377623632.db2.gz LMDFKDFLCYTMDL-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001271459500 1377632588 /nfs/dbraw/zinc/63/25/88/1377632588.db2.gz UJWMHNDSDZCNCJ-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c(C)c1 ZINC001138435172 1377723706 /nfs/dbraw/zinc/72/37/06/1377723706.db2.gz BCZKZZGMJYXKLE-UHFFFAOYSA-N 2 2 341.455 3.120 20 0 EGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549053 1377740431 /nfs/dbraw/zinc/74/04/31/1377740431.db2.gz PKQOAUUBNYDVLB-DNVCBOLYSA-N 2 2 341.455 3.344 20 0 EGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549053 1377740432 /nfs/dbraw/zinc/74/04/32/1377740432.db2.gz PKQOAUUBNYDVLB-DNVCBOLYSA-N 2 2 341.455 3.344 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC001138550047 1377740482 /nfs/dbraw/zinc/74/04/82/1377740482.db2.gz IYFPUVVBZZXGCW-UHFFFAOYSA-N 3 2 347.466 3.206 20 0 EGADLP Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139059757 1377823358 /nfs/dbraw/zinc/82/33/58/1377823358.db2.gz IXJUCLRXCOCHPW-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cc1ccc2c(c1)CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139059757 1377823360 /nfs/dbraw/zinc/82/33/60/1377823360.db2.gz IXJUCLRXCOCHPW-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139364319 1377874543 /nfs/dbraw/zinc/87/45/43/1377874543.db2.gz RMECRVLFLCISND-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139364319 1377874544 /nfs/dbraw/zinc/87/45/44/1377874544.db2.gz RMECRVLFLCISND-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP C[N@H+](Cc1cccn1Cc1cnc(Cl)s1)C1CC[NH+](C)CC1 ZINC001139364226 1377874749 /nfs/dbraw/zinc/87/47/49/1377874749.db2.gz PNJJDEUPORZABV-UHFFFAOYSA-N 2 2 338.908 3.172 20 0 EGADLP C[N@@H+](Cc1cccn1Cc1cnc(Cl)s1)C1CC[NH+](C)CC1 ZINC001139364226 1377874750 /nfs/dbraw/zinc/87/47/50/1377874750.db2.gz PNJJDEUPORZABV-UHFFFAOYSA-N 2 2 338.908 3.172 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762200 1377947954 /nfs/dbraw/zinc/94/79/54/1377947954.db2.gz VDTMOGVFZHYGDI-UXHICEINSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762200 1377947955 /nfs/dbraw/zinc/94/79/55/1377947955.db2.gz VDTMOGVFZHYGDI-UXHICEINSA-N 2 2 344.499 3.020 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001139862319 1377965054 /nfs/dbraw/zinc/96/50/54/1377965054.db2.gz CUPMFFGGAZHJHS-UHFFFAOYSA-N 2 2 343.471 3.179 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001139862319 1377965056 /nfs/dbraw/zinc/96/50/56/1377965056.db2.gz CUPMFFGGAZHJHS-UHFFFAOYSA-N 2 2 343.471 3.179 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1C ZINC001140157204 1378022586 /nfs/dbraw/zinc/02/25/86/1378022586.db2.gz WRTURAPLGZTWIE-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1C ZINC001140157204 1378022588 /nfs/dbraw/zinc/02/25/88/1378022588.db2.gz WRTURAPLGZTWIE-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1C ZINC001140157204 1378022590 /nfs/dbraw/zinc/02/25/90/1378022590.db2.gz WRTURAPLGZTWIE-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C ZINC001140157204 1378022592 /nfs/dbraw/zinc/02/25/92/1378022592.db2.gz WRTURAPLGZTWIE-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420345 1378060724 /nfs/dbraw/zinc/06/07/24/1378060724.db2.gz AGROPENLWAEBPA-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420345 1378060725 /nfs/dbraw/zinc/06/07/25/1378060725.db2.gz AGROPENLWAEBPA-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420345 1378060726 /nfs/dbraw/zinc/06/07/26/1378060726.db2.gz AGROPENLWAEBPA-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420345 1378060727 /nfs/dbraw/zinc/06/07/27/1378060727.db2.gz AGROPENLWAEBPA-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2nc(Cl)ccc2C)CC1 ZINC001140444862 1378063783 /nfs/dbraw/zinc/06/37/83/1378063783.db2.gz PZWMUMFFWRCSSF-UHFFFAOYSA-N 2 2 330.863 3.486 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804999 1378143906 /nfs/dbraw/zinc/14/39/06/1378143906.db2.gz NXLYFLBGVFJYKX-UKRRQHHQSA-N 2 2 344.459 3.298 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804999 1378143913 /nfs/dbraw/zinc/14/39/13/1378143913.db2.gz NXLYFLBGVFJYKX-UKRRQHHQSA-N 2 2 344.459 3.298 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803988 1378144858 /nfs/dbraw/zinc/14/48/58/1378144858.db2.gz YGGHQFJTOVAWLW-CQSZACIVSA-N 2 2 344.459 3.300 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803988 1378144859 /nfs/dbraw/zinc/14/48/59/1378144859.db2.gz YGGHQFJTOVAWLW-CQSZACIVSA-N 2 2 344.459 3.300 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[NH+](Cc2c[nH]c3cc[nH+]cc23)CCC1 ZINC001140805406 1378144979 /nfs/dbraw/zinc/14/49/79/1378144979.db2.gz DTKTYAUKOIAWBG-UHFFFAOYSA-N 2 2 344.459 3.396 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+](C)C3CC[NH+](C)CC3)n2)cc1 ZINC001140955427 1378193082 /nfs/dbraw/zinc/19/30/82/1378193082.db2.gz WOECJMOFEGLJCP-UHFFFAOYSA-N 2 2 325.456 3.283 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+](C)C3CC[NH+](C)CC3)n2)cc1 ZINC001140955427 1378193087 /nfs/dbraw/zinc/19/30/87/1378193087.db2.gz WOECJMOFEGLJCP-UHFFFAOYSA-N 2 2 325.456 3.283 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001277382123 1378220730 /nfs/dbraw/zinc/22/07/30/1378220730.db2.gz GYFNAFPIECICJX-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001277382123 1378220741 /nfs/dbraw/zinc/22/07/41/1378220741.db2.gz GYFNAFPIECICJX-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001277382123 1378220743 /nfs/dbraw/zinc/22/07/43/1378220743.db2.gz GYFNAFPIECICJX-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001277382123 1378220746 /nfs/dbraw/zinc/22/07/46/1378220746.db2.gz GYFNAFPIECICJX-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001277537527 1378233405 /nfs/dbraw/zinc/23/34/05/1378233405.db2.gz GMEWISRCRLZTHQ-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CC[N@@H+](CCCC(C)(C)C)C2)C1 ZINC001277537527 1378233408 /nfs/dbraw/zinc/23/34/08/1378233408.db2.gz GMEWISRCRLZTHQ-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2C)CC1 ZINC001142935071 1378512750 /nfs/dbraw/zinc/51/27/50/1378512750.db2.gz NLLDDNBVWAJNHR-LJQANCHMSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2C)CC1 ZINC001142935071 1378512752 /nfs/dbraw/zinc/51/27/52/1378512752.db2.gz NLLDDNBVWAJNHR-LJQANCHMSA-N 2 2 346.515 3.387 20 0 EGADLP CCN(Cc1ccc2[nH+]ccn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001143027970 1378528677 /nfs/dbraw/zinc/52/86/77/1378528677.db2.gz UTKNTHHZVCBQAO-FQEVSTJZSA-N 2 2 334.467 3.431 20 0 EGADLP CCN(Cc1ccc2[nH+]ccn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143027970 1378528680 /nfs/dbraw/zinc/52/86/80/1378528680.db2.gz UTKNTHHZVCBQAO-FQEVSTJZSA-N 2 2 334.467 3.431 20 0 EGADLP c1cn2cc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)ccc2[nH+]1 ZINC001143029426 1378530497 /nfs/dbraw/zinc/53/04/97/1378530497.db2.gz YYBYHYXAZMWGJQ-UXHICEINSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)ccc2[nH+]1 ZINC001143029426 1378530498 /nfs/dbraw/zinc/53/04/98/1378530498.db2.gz YYBYHYXAZMWGJQ-UXHICEINSA-N 2 2 332.451 3.041 20 0 EGADLP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143034071 1378530709 /nfs/dbraw/zinc/53/07/09/1378530709.db2.gz ULDBXJLJPYOMJA-FQEVSTJZSA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc2[nH+]ccn2c1 ZINC001143034071 1378530710 /nfs/dbraw/zinc/53/07/10/1378530710.db2.gz ULDBXJLJPYOMJA-FQEVSTJZSA-N 2 2 334.467 3.431 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(OC(F)(F)F)c1 ZINC001144047055 1378674867 /nfs/dbraw/zinc/67/48/67/1378674867.db2.gz DWHBADYYFGZABM-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(OC(F)(F)F)c1 ZINC001144047055 1378674869 /nfs/dbraw/zinc/67/48/69/1378674869.db2.gz DWHBADYYFGZABM-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001283332197 1378814770 /nfs/dbraw/zinc/81/47/70/1378814770.db2.gz SBXYJJOBIKZBLX-INIZCTEOSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001283332197 1378814776 /nfs/dbraw/zinc/81/47/76/1378814776.db2.gz SBXYJJOBIKZBLX-INIZCTEOSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001283332197 1378814782 /nfs/dbraw/zinc/81/47/82/1378814782.db2.gz SBXYJJOBIKZBLX-INIZCTEOSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001283332197 1378814788 /nfs/dbraw/zinc/81/47/88/1378814788.db2.gz SBXYJJOBIKZBLX-INIZCTEOSA-N 2 2 348.535 3.337 20 0 EGADLP O=C(NCC[NH2+]CC1CCCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458050 1378843609 /nfs/dbraw/zinc/84/36/09/1378843609.db2.gz CMCFCFPPSQKXFB-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458664 1378843770 /nfs/dbraw/zinc/84/37/70/1378843770.db2.gz NPKSNVXCLXBDNW-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP CC[N@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760330 1380123379 /nfs/dbraw/zinc/12/33/79/1380123379.db2.gz HFPHSMANXWNNBS-CYBMUJFWSA-N 2 2 348.516 3.047 20 0 EGADLP CC[N@@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760330 1380123380 /nfs/dbraw/zinc/12/33/80/1380123380.db2.gz HFPHSMANXWNNBS-CYBMUJFWSA-N 2 2 348.516 3.047 20 0 EGADLP CC[N@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760330 1380123381 /nfs/dbraw/zinc/12/33/81/1380123381.db2.gz HFPHSMANXWNNBS-CYBMUJFWSA-N 2 2 348.516 3.047 20 0 EGADLP CC[N@@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760330 1380123382 /nfs/dbraw/zinc/12/33/82/1380123382.db2.gz HFPHSMANXWNNBS-CYBMUJFWSA-N 2 2 348.516 3.047 20 0 EGADLP CC(C)[PH+](CCNC(=O)c1nc2c(s1)C[N@H+](C)CC2)C(C)C ZINC001154224375 1380233229 /nfs/dbraw/zinc/23/32/29/1380233229.db2.gz QXSATAAVATUQOT-UHFFFAOYSA-N 2 2 341.461 3.160 20 0 EGADLP CC(C)[PH+](CCNC(=O)c1nc2c(s1)C[N@@H+](C)CC2)C(C)C ZINC001154224375 1380233231 /nfs/dbraw/zinc/23/32/31/1380233231.db2.gz QXSATAAVATUQOT-UHFFFAOYSA-N 2 2 341.461 3.160 20 0 EGADLP CC[C@@H](F)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492564 1380288432 /nfs/dbraw/zinc/28/84/32/1380288432.db2.gz KJRKISMPMNKOKS-NVXWUHKLSA-N 2 2 346.450 3.061 20 0 EGADLP CC[C@@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492564 1380288434 /nfs/dbraw/zinc/28/84/34/1380288434.db2.gz KJRKISMPMNKOKS-NVXWUHKLSA-N 2 2 346.450 3.061 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2c1 ZINC001155025671 1380393796 /nfs/dbraw/zinc/39/37/96/1380393796.db2.gz PENYBUHMJNBSDF-CJNGLKHVSA-N 2 2 327.428 3.069 20 0 EGADLP FC(F)(COc1ccnc(Cl)c1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057468 1380400225 /nfs/dbraw/zinc/40/02/25/1380400225.db2.gz JWZWQBQMZWJZLW-UHFFFAOYSA-N 2 2 342.777 3.027 20 0 EGADLP Fc1cc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)cnc1Cl ZINC001155057649 1380400240 /nfs/dbraw/zinc/40/02/40/1380400240.db2.gz LTQPTEZYECYVEC-UHFFFAOYSA-N 2 2 330.741 3.135 20 0 EGADLP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011569 1380513393 /nfs/dbraw/zinc/51/33/93/1380513393.db2.gz LTPXRRJABJSKPV-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011569 1380513394 /nfs/dbraw/zinc/51/33/94/1380513394.db2.gz LTPXRRJABJSKPV-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP c1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccncc2)cc1 ZINC001156096400 1380524224 /nfs/dbraw/zinc/52/42/24/1380524224.db2.gz WBPQVXQRNZFVPQ-NRFANRHFSA-N 2 2 345.450 3.088 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCC23CC[NH+](CC2)CC3)c1)C1CC1 ZINC001158828432 1381420509 /nfs/dbraw/zinc/42/05/09/1381420509.db2.gz AMWYKAGUPAVTQF-KRWDZBQOSA-N 2 2 343.471 3.036 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1cc(C)ccc1C ZINC001328322364 1388722625 /nfs/dbraw/zinc/72/26/25/1388722625.db2.gz LKCDZNKVFAMRLN-UHFFFAOYSA-N 2 2 336.395 3.210 20 0 EGADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc(N4CCCCC4)[nH+]cn3)c2C1 ZINC001159948043 1381946233 /nfs/dbraw/zinc/94/62/33/1381946233.db2.gz HIGHCTHTDXXOOT-HNNXBMFYSA-N 2 2 347.466 3.227 20 0 EGADLP Cc1cc(Nc2cccc(F)c2N2CC[NH2+]CC2)ccc1[NH+](C)C ZINC001160114242 1382000516 /nfs/dbraw/zinc/00/05/16/1382000516.db2.gz PJIXPEMFNVZVFT-UHFFFAOYSA-N 2 2 328.435 3.353 20 0 EGADLP CCC/C=C\CC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528192 1382132342 /nfs/dbraw/zinc/13/23/42/1382132342.db2.gz KHLUBUSMRHBEGK-MJRGOJFPSA-N 2 2 334.508 3.313 20 0 EGADLP Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528987 1382132852 /nfs/dbraw/zinc/13/28/52/1382132852.db2.gz ZKJSIBMVLXQXIW-LJQANCHMSA-N 2 2 342.487 3.075 20 0 EGADLP Cc1c[nH+]c(N(Cc2ccccc2)C[C@H](C)C[NH3+])nc1NC(C)C ZINC001160660040 1382162911 /nfs/dbraw/zinc/16/29/11/1382162911.db2.gz FEITZDFMIGOUNP-OAHLLOKOSA-N 2 2 327.476 3.207 20 0 EGADLP C[N@H+](Cc1ccc(NCc2c[nH+]cn2CC2CCC2)nc1)C1CC1 ZINC001161535591 1382433922 /nfs/dbraw/zinc/43/39/22/1382433922.db2.gz GIRAHUWOXWNCMU-UHFFFAOYSA-N 2 2 325.460 3.285 20 0 EGADLP C[N@@H+](Cc1ccc(NCc2c[nH+]cn2CC2CCC2)nc1)C1CC1 ZINC001161535591 1382433924 /nfs/dbraw/zinc/43/39/24/1382433924.db2.gz GIRAHUWOXWNCMU-UHFFFAOYSA-N 2 2 325.460 3.285 20 0 EGADLP C[C@@H]1CCCN(c2cc(NC[C@]3(CC4CC4)CCC[NH2+]3)nc[nH+]2)C1 ZINC001162353417 1382738672 /nfs/dbraw/zinc/73/86/72/1382738672.db2.gz PYAUTTLAGTYNIY-DNVCBOLYSA-N 2 2 329.492 3.047 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001162433337 1382758147 /nfs/dbraw/zinc/75/81/47/1382758147.db2.gz WQEDEVBQYXHAKL-MRXNPFEDSA-N 2 2 336.439 3.113 20 0 EGADLP C[N@@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)C1 ZINC001162683892 1382832514 /nfs/dbraw/zinc/83/25/14/1382832514.db2.gz OMRRCGBZLRMKNV-LBPRGKRZSA-N 2 2 343.393 3.112 20 0 EGADLP C[N@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)C1 ZINC001162683892 1382832524 /nfs/dbraw/zinc/83/25/24/1382832524.db2.gz OMRRCGBZLRMKNV-LBPRGKRZSA-N 2 2 343.393 3.112 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001165108633 1383229939 /nfs/dbraw/zinc/22/99/39/1383229939.db2.gz OGDMTALCPXQSEO-GOSISDBHSA-N 2 2 325.456 3.314 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001165108633 1383229945 /nfs/dbraw/zinc/22/99/45/1383229945.db2.gz OGDMTALCPXQSEO-GOSISDBHSA-N 2 2 325.456 3.314 20 0 EGADLP COc1cc2ccc(N3CCC4(CCCC[NH2+]4)CC3)[nH+]c2cc1OC ZINC001165247547 1383257844 /nfs/dbraw/zinc/25/78/44/1383257844.db2.gz RKMVOTISVMEDDD-UHFFFAOYSA-N 2 2 341.455 3.365 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3C3CC[NH2+]CC3)nc[nH+]2)C1 ZINC001165323010 1383272867 /nfs/dbraw/zinc/27/28/67/1383272867.db2.gz MZYRGAMZCGOJLS-SJLPKXTDSA-N 2 2 343.519 3.071 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3C3CC[NH2+]CC3)[nH+]cn2)C1 ZINC001165323010 1383272870 /nfs/dbraw/zinc/27/28/70/1383272870.db2.gz MZYRGAMZCGOJLS-SJLPKXTDSA-N 2 2 343.519 3.071 20 0 EGADLP Cc1[nH+]c2c(n1-c1c(Cl)ncc(Cl)c1Cl)CC[NH2+]CC2 ZINC001165353984 1383281099 /nfs/dbraw/zinc/28/10/99/1383281099.db2.gz WXWQPUHYWLFKBH-UHFFFAOYSA-N 2 2 331.634 3.224 20 0 EGADLP CC(C)C[NH2+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001166422636 1383421038 /nfs/dbraw/zinc/42/10/38/1383421038.db2.gz LWIAUHFOFODWBF-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001166474304 1383425907 /nfs/dbraw/zinc/42/59/07/1383425907.db2.gz LIIPHPHNHDXGKD-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP C[N@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001328781670 1388859299 /nfs/dbraw/zinc/85/92/99/1388859299.db2.gz VANBQHFQJXMVLB-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001328781670 1388859302 /nfs/dbraw/zinc/85/93/02/1388859302.db2.gz VANBQHFQJXMVLB-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP COc1cc2c[nH+]c(N3CCC(n4cc[nH+]c4)CC3)cc2cc1OC ZINC001167125722 1383546359 /nfs/dbraw/zinc/54/63/59/1383546359.db2.gz SAGZBOIXDYNETN-UHFFFAOYSA-N 2 2 338.411 3.290 20 0 EGADLP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348565 1383606687 /nfs/dbraw/zinc/60/66/87/1383606687.db2.gz MHLRFVTUVFJKPU-LAQIPUCWSA-N 2 2 332.492 3.067 20 0 EGADLP CC1(C)CCC(C[NH2+]CC2(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001167528993 1383658676 /nfs/dbraw/zinc/65/86/76/1383658676.db2.gz UOYJNBJTBQIJTM-UHFFFAOYSA-N 2 2 346.519 3.045 20 0 EGADLP Nc1cc(CNc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)cc[nH+]1 ZINC001167617297 1383690048 /nfs/dbraw/zinc/69/00/48/1383690048.db2.gz KJSOJWHMWFICKL-UHFFFAOYSA-N 2 2 349.360 3.066 20 0 EGADLP C[NH+](C)Cc1ccc(Br)c(NCc2cc[nH+]c(N)c2)c1 ZINC001167617918 1383690424 /nfs/dbraw/zinc/69/04/24/1383690424.db2.gz AFXYPTNFLXLWOR-UHFFFAOYSA-N 2 2 335.249 3.100 20 0 EGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1[nH+]cnc2[nH]c3c(c21)CCCC3 ZINC001167625255 1383691659 /nfs/dbraw/zinc/69/16/59/1383691659.db2.gz IIFRLDNZYJDBEF-UHFFFAOYSA-N 2 2 327.476 3.321 20 0 EGADLP CCOCc1cnc2n1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)[C@H]2C ZINC001167826010 1383750438 /nfs/dbraw/zinc/75/04/38/1383750438.db2.gz VJIAOVGBFBXGJR-IRXDYDNUSA-N 2 2 336.524 3.307 20 0 EGADLP CCOCc1cnc2n1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)[C@H]2C ZINC001167826010 1383750439 /nfs/dbraw/zinc/75/04/39/1383750439.db2.gz VJIAOVGBFBXGJR-IRXDYDNUSA-N 2 2 336.524 3.307 20 0 EGADLP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1Cl ZINC001167975126 1383783906 /nfs/dbraw/zinc/78/39/06/1383783906.db2.gz HZXXTEYQQVTSSR-IHBAFOEMSA-N 2 2 334.891 3.368 20 0 EGADLP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1Cl ZINC001167975126 1383783910 /nfs/dbraw/zinc/78/39/10/1383783910.db2.gz HZXXTEYQQVTSSR-IHBAFOEMSA-N 2 2 334.891 3.368 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010964 1383796211 /nfs/dbraw/zinc/79/62/11/1383796211.db2.gz LVGGWMAWFBKPTM-HOTGVXAUSA-N 3 2 326.488 3.307 20 0 EGADLP C[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039471 1383801835 /nfs/dbraw/zinc/80/18/35/1383801835.db2.gz FHGOSJITSSTMMF-IZZQQSIFSA-N 3 2 326.488 3.389 20 0 EGADLP C[C@@H]1C[C@@H](n2cc[nH+]c2CCC[NH3+])C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039471 1383801840 /nfs/dbraw/zinc/80/18/40/1383801840.db2.gz FHGOSJITSSTMMF-IZZQQSIFSA-N 3 2 326.488 3.389 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168043176 1383803397 /nfs/dbraw/zinc/80/33/97/1383803397.db2.gz BFASYCLVFCALLD-CBGDNZLLSA-N 2 2 344.499 3.456 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@H+]1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168043176 1383803400 /nfs/dbraw/zinc/80/34/00/1383803400.db2.gz BFASYCLVFCALLD-CBGDNZLLSA-N 2 2 344.499 3.456 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001169080417 1384104126 /nfs/dbraw/zinc/10/41/26/1384104126.db2.gz NFXXVCPZCDPJLD-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001169080417 1384104128 /nfs/dbraw/zinc/10/41/28/1384104128.db2.gz NFXXVCPZCDPJLD-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109054 1384108019 /nfs/dbraw/zinc/10/80/19/1384108019.db2.gz HFJLWCVSFHXKKV-MZADTFQBSA-N 2 2 345.506 3.313 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109054 1384108020 /nfs/dbraw/zinc/10/80/20/1384108020.db2.gz HFJLWCVSFHXKKV-MZADTFQBSA-N 2 2 345.506 3.313 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COc3cc(Br)ccc31)C2 ZINC001169115009 1384108629 /nfs/dbraw/zinc/10/86/29/1384108629.db2.gz GNGQUQYOXQYHCU-XPCVCDNBSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COc3cc(Br)ccc31)C2 ZINC001169115009 1384108631 /nfs/dbraw/zinc/10/86/31/1384108631.db2.gz GNGQUQYOXQYHCU-XPCVCDNBSA-N 2 2 337.261 3.097 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001308359855 1384121548 /nfs/dbraw/zinc/12/15/48/1384121548.db2.gz JNQMCHRDMVXWHU-STQMWFEESA-N 2 2 328.441 3.233 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305478 1384134269 /nfs/dbraw/zinc/13/42/69/1384134269.db2.gz LPMJSOCZJYRROF-UHFFFAOYSA-N 2 2 341.455 3.373 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305478 1384134270 /nfs/dbraw/zinc/13/42/70/1384134270.db2.gz LPMJSOCZJYRROF-UHFFFAOYSA-N 2 2 341.455 3.373 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)c1 ZINC001308586399 1384134969 /nfs/dbraw/zinc/13/49/69/1384134969.db2.gz ZNACPZRBYBVLQD-UHFFFAOYSA-N 2 2 337.467 3.291 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC001308625021 1384137421 /nfs/dbraw/zinc/13/74/21/1384137421.db2.gz WVHURPITVKPGIG-ALCCZGGFSA-N 2 2 330.516 3.404 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC001308625021 1384137422 /nfs/dbraw/zinc/13/74/22/1384137422.db2.gz WVHURPITVKPGIG-ALCCZGGFSA-N 2 2 330.516 3.404 20 0 EGADLP C[C@@H]1CCCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308695334 1384142875 /nfs/dbraw/zinc/14/28/75/1384142875.db2.gz NRPFOSJMMLRQPN-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308695334 1384142877 /nfs/dbraw/zinc/14/28/77/1384142877.db2.gz NRPFOSJMMLRQPN-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747596 1384181936 /nfs/dbraw/zinc/18/19/36/1384181936.db2.gz ZETBAZFNKDMVMU-OALUTQOASA-N 2 2 343.515 3.001 20 0 EGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747596 1384181938 /nfs/dbraw/zinc/18/19/38/1384181938.db2.gz ZETBAZFNKDMVMU-OALUTQOASA-N 2 2 343.515 3.001 20 0 EGADLP c1ccc([C@@H](C[NH2+][C@H]2CCCC3(C2)OCCO3)[NH+]2CCCC2)cc1 ZINC001169904999 1384196875 /nfs/dbraw/zinc/19/68/75/1384196875.db2.gz ILKRWTVHCGXEMK-RBUKOAKNSA-N 2 2 330.472 3.099 20 0 EGADLP CC(C)CCC[C@@H](C)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001170081057 1384231552 /nfs/dbraw/zinc/23/15/52/1384231552.db2.gz NOHQPSBUINGXJA-QGZVFWFLSA-N 2 2 329.492 3.201 20 0 EGADLP CC(C)CCC[C@@H](C)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001170081057 1384231553 /nfs/dbraw/zinc/23/15/53/1384231553.db2.gz NOHQPSBUINGXJA-QGZVFWFLSA-N 2 2 329.492 3.201 20 0 EGADLP CC[C@@H]1C[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215385 1384266860 /nfs/dbraw/zinc/26/68/60/1384266860.db2.gz BJNZANIITVTTSD-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215385 1384266862 /nfs/dbraw/zinc/26/68/62/1384266862.db2.gz BJNZANIITVTTSD-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215385 1384266864 /nfs/dbraw/zinc/26/68/64/1384266864.db2.gz BJNZANIITVTTSD-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215385 1384266865 /nfs/dbraw/zinc/26/68/65/1384266865.db2.gz BJNZANIITVTTSD-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001170417673 1384313336 /nfs/dbraw/zinc/31/33/36/1384313336.db2.gz MGCCYHUJGUMOIZ-WMZOPIPTSA-N 2 2 332.488 3.446 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001170426509 1384315746 /nfs/dbraw/zinc/31/57/46/1384315746.db2.gz UCYVTYUWVDARMZ-IRXDYDNUSA-N 2 2 332.488 3.446 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001170426509 1384315751 /nfs/dbraw/zinc/31/57/51/1384315751.db2.gz UCYVTYUWVDARMZ-IRXDYDNUSA-N 2 2 332.488 3.446 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170484416 1384328832 /nfs/dbraw/zinc/32/88/32/1384328832.db2.gz YLYSIIPCUUZXEZ-QGZVFWFLSA-N 2 2 346.519 3.497 20 0 EGADLP Fc1cccc2c1C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001170956752 1384418097 /nfs/dbraw/zinc/41/80/97/1384418097.db2.gz YSWRQMZBKCXFFV-QGZVFWFLSA-N 2 2 325.431 3.337 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152709 1384456000 /nfs/dbraw/zinc/45/60/00/1384456000.db2.gz UCMIMAHDNIAFIV-LXPRWKDFSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152709 1384456003 /nfs/dbraw/zinc/45/60/03/1384456003.db2.gz UCMIMAHDNIAFIV-LXPRWKDFSA-N 2 2 348.535 3.433 20 0 EGADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(N4CCCC4)[nH+]cn3)c2c1 ZINC001171164972 1384458480 /nfs/dbraw/zinc/45/84/80/1384458480.db2.gz MBJFAZKUHZUBSZ-OAHLLOKOSA-N 2 2 335.455 3.219 20 0 EGADLP Fc1cc(F)c2c(c1)C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001171383623 1384508204 /nfs/dbraw/zinc/50/82/04/1384508204.db2.gz SNTGSQXOEKFMBU-QGZVFWFLSA-N 2 2 343.421 3.476 20 0 EGADLP Cc1cc(N2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)nc(C)[nH+]1 ZINC001171571501 1384566857 /nfs/dbraw/zinc/56/68/57/1384566857.db2.gz ZPKZUKKRYZHLDB-LJQANCHMSA-N 2 2 336.483 3.081 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171576495 1384568484 /nfs/dbraw/zinc/56/84/84/1384568484.db2.gz AGAZRHBSQYAPSH-VMLVWOMUSA-N 2 2 346.519 3.066 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171606042 1384578000 /nfs/dbraw/zinc/57/80/00/1384578000.db2.gz SXAZPEWGWAMWGC-JDTHPWDHSA-N 2 2 346.519 3.066 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784053 1384635005 /nfs/dbraw/zinc/63/50/05/1384635005.db2.gz IXHWXYYKNIKSBI-INIZCTEOSA-N 2 2 330.476 3.403 20 0 EGADLP CC1(C)C[C@@H]([NH2+]Cc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC001171965089 1384697560 /nfs/dbraw/zinc/69/75/60/1384697560.db2.gz OAZJTVNJYDNPMX-SFHVURJKSA-N 2 2 349.482 3.262 20 0 EGADLP CC1(C)C[C@@H]([NH2+]Cc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC001171965089 1384697561 /nfs/dbraw/zinc/69/75/61/1384697561.db2.gz OAZJTVNJYDNPMX-SFHVURJKSA-N 2 2 349.482 3.262 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H](F)C[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976251 1384700924 /nfs/dbraw/zinc/70/09/24/1384700924.db2.gz JOJBJYGXOWJWLC-GUDVDZBRSA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H](F)C[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976251 1384700927 /nfs/dbraw/zinc/70/09/27/1384700927.db2.gz JOJBJYGXOWJWLC-GUDVDZBRSA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2C[C@H](F)C[C@@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976251 1384700931 /nfs/dbraw/zinc/70/09/31/1384700931.db2.gz JOJBJYGXOWJWLC-GUDVDZBRSA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@H+]2C[C@H](F)C[C@@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976251 1384700934 /nfs/dbraw/zinc/70/09/34/1384700934.db2.gz JOJBJYGXOWJWLC-GUDVDZBRSA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([NH+]2CC[C@@](C)(O)[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171978542 1384702698 /nfs/dbraw/zinc/70/26/98/1384702698.db2.gz ZFASEKNWLWWMIZ-WSTZPKSXSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@H]([NH+]2CC[C@@](C)(O)[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171978542 1384702702 /nfs/dbraw/zinc/70/27/02/1384702702.db2.gz ZFASEKNWLWWMIZ-WSTZPKSXSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171978542 1384702706 /nfs/dbraw/zinc/70/27/06/1384702706.db2.gz ZFASEKNWLWWMIZ-WSTZPKSXSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@H]([N@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171978542 1384702711 /nfs/dbraw/zinc/70/27/11/1384702711.db2.gz ZFASEKNWLWWMIZ-WSTZPKSXSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@@H](N2CC([NH+]3CC[C@H](F)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987819 1384705320 /nfs/dbraw/zinc/70/53/20/1384705320.db2.gz KEYCQIKJIBRJSA-OALUTQOASA-N 2 2 345.506 3.158 20 0 EGADLP CC1(C)C[C@@H](N2CC([NH+]3CC[C@H](F)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987819 1384705322 /nfs/dbraw/zinc/70/53/22/1384705322.db2.gz KEYCQIKJIBRJSA-OALUTQOASA-N 2 2 345.506 3.158 20 0 EGADLP CC1(C)C[C@@H](N2CC([N@@H+]3CC[C@H](F)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987819 1384705330 /nfs/dbraw/zinc/70/53/30/1384705330.db2.gz KEYCQIKJIBRJSA-OALUTQOASA-N 2 2 345.506 3.158 20 0 EGADLP CC1(C)C[C@@H](N2CC([N@H+]3CC[C@H](F)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987819 1384705338 /nfs/dbraw/zinc/70/53/38/1384705338.db2.gz KEYCQIKJIBRJSA-OALUTQOASA-N 2 2 345.506 3.158 20 0 EGADLP Cc1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172064007 1384714453 /nfs/dbraw/zinc/71/44/53/1384714453.db2.gz CZROJOPYNWFTIK-NUZGMZIFSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1cnc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172064007 1384714456 /nfs/dbraw/zinc/71/44/56/1384714456.db2.gz CZROJOPYNWFTIK-NUZGMZIFSA-N 2 2 336.483 3.460 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121649 1384734955 /nfs/dbraw/zinc/73/49/55/1384734955.db2.gz RSSVNNQFXALARI-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121649 1384734957 /nfs/dbraw/zinc/73/49/57/1384734957.db2.gz RSSVNNQFXALARI-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121649 1384734958 /nfs/dbraw/zinc/73/49/58/1384734958.db2.gz RSSVNNQFXALARI-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121649 1384734961 /nfs/dbraw/zinc/73/49/61/1384734961.db2.gz RSSVNNQFXALARI-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127100 1384735602 /nfs/dbraw/zinc/73/56/02/1384735602.db2.gz GQVPHTRVEPVRID-FVQHAEBGSA-N 2 2 349.519 3.085 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127100 1384735605 /nfs/dbraw/zinc/73/56/05/1384735605.db2.gz GQVPHTRVEPVRID-FVQHAEBGSA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127100 1384735613 /nfs/dbraw/zinc/73/56/13/1384735613.db2.gz GQVPHTRVEPVRID-FVQHAEBGSA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127100 1384735616 /nfs/dbraw/zinc/73/56/16/1384735616.db2.gz GQVPHTRVEPVRID-FVQHAEBGSA-N 2 2 349.519 3.085 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172235939 1384753617 /nfs/dbraw/zinc/75/36/17/1384753617.db2.gz HYWREFVTKORIJF-YQQQUEKLSA-N 2 2 330.447 3.174 20 0 EGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640494 1384825291 /nfs/dbraw/zinc/82/52/91/1384825291.db2.gz OGRGURVXEQBDKP-YESZJQIVSA-N 2 2 339.524 3.368 20 0 EGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640494 1384825296 /nfs/dbraw/zinc/82/52/96/1384825296.db2.gz OGRGURVXEQBDKP-YESZJQIVSA-N 2 2 339.524 3.368 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2 ZINC001172830456 1384860799 /nfs/dbraw/zinc/86/07/99/1384860799.db2.gz JGEYDZNRHQROPQ-HXUWFJFHSA-N 2 2 336.483 3.081 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172975590 1384893819 /nfs/dbraw/zinc/89/38/19/1384893819.db2.gz SQSFTFWKXLEAHV-HNNXBMFYSA-N 2 2 336.480 3.166 20 0 EGADLP CC[NH+](CC)C1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC001173101140 1384915076 /nfs/dbraw/zinc/91/50/76/1384915076.db2.gz DHQISBPRVPHHSB-ACBHZAAOSA-N 2 2 332.488 3.013 20 0 EGADLP c1nc2c(s1)C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)CC2 ZINC001173125995 1384919377 /nfs/dbraw/zinc/91/93/77/1384919377.db2.gz KAISOVMSIDXOFP-IRXDYDNUSA-N 2 2 327.497 3.255 20 0 EGADLP c1nc2c(s1)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)CC2 ZINC001173125995 1384919379 /nfs/dbraw/zinc/91/93/79/1384919379.db2.gz KAISOVMSIDXOFP-IRXDYDNUSA-N 2 2 327.497 3.255 20 0 EGADLP COc1cccc2c1C[C@@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)CO2 ZINC001173161275 1384927541 /nfs/dbraw/zinc/92/75/41/1384927541.db2.gz PSGGHKOWBJAJHB-MRXNPFEDSA-N 2 2 335.407 3.194 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001173651612 1384995860 /nfs/dbraw/zinc/99/58/60/1384995860.db2.gz OYWMEIHHEGUYIQ-WBVHZDCISA-N 2 2 327.428 3.303 20 0 EGADLP Cc1[nH+]cn(C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)c1CC[NH3+] ZINC001173673954 1385001394 /nfs/dbraw/zinc/00/13/94/1385001394.db2.gz WBQDBMJMYUGHHZ-CHWSQXEVSA-N 2 2 336.480 3.042 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173676211 1385001643 /nfs/dbraw/zinc/00/16/43/1385001643.db2.gz MBOYEYQNZCWQNW-BZUAXINKSA-N 2 2 339.524 3.235 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173676211 1385001646 /nfs/dbraw/zinc/00/16/46/1385001646.db2.gz MBOYEYQNZCWQNW-BZUAXINKSA-N 2 2 339.524 3.235 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580049 1385121971 /nfs/dbraw/zinc/12/19/71/1385121971.db2.gz FPAZZGLCWDTMFB-SFHVURJKSA-N 2 2 342.487 3.046 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001174581603 1385122224 /nfs/dbraw/zinc/12/22/24/1385122224.db2.gz VAEBEKFBTHXPHY-MSOLQXFVSA-N 2 2 342.487 3.299 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175207661 1385219716 /nfs/dbraw/zinc/21/97/16/1385219716.db2.gz AFYJGJIPLZPUSM-FEFZKZJHSA-N 2 2 346.519 3.451 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)n1cc[nH+]c1 ZINC001318028348 1385611127 /nfs/dbraw/zinc/61/11/27/1385611127.db2.gz SUXDZNMLAFAEGS-INIZCTEOSA-N 2 2 326.444 3.459 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001176809952 1385710034 /nfs/dbraw/zinc/71/00/34/1385710034.db2.gz GJDZMJOSJUJKME-SFHVURJKSA-N 2 2 346.519 3.428 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H](C)C(=O)c1ccccc1 ZINC001318491916 1385721555 /nfs/dbraw/zinc/72/15/55/1385721555.db2.gz WFFYQKXMQDYCIZ-AWEZNQCLSA-N 2 2 348.406 3.423 20 0 EGADLP CC[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1)OC ZINC001318962392 1385900003 /nfs/dbraw/zinc/90/00/03/1385900003.db2.gz WTYXEYUJAHLRLU-KZNAEPCWSA-N 2 2 347.503 3.062 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001318973923 1385903913 /nfs/dbraw/zinc/90/39/13/1385903913.db2.gz AIGWREZSBGYXKA-WDSOQIARSA-N 2 2 346.519 3.432 20 0 EGADLP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339779 1385919837 /nfs/dbraw/zinc/91/98/37/1385919837.db2.gz OPVGSMSEQKZNFE-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339779 1385919840 /nfs/dbraw/zinc/91/98/40/1385919840.db2.gz OPVGSMSEQKZNFE-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc3nsnc32)[nH+]1 ZINC001319388770 1386098462 /nfs/dbraw/zinc/09/84/62/1386098462.db2.gz LJBMIKXDILKVIV-OAHLLOKOSA-N 2 2 339.468 3.471 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc3nsnc32)[nH+]1 ZINC001319388770 1386098464 /nfs/dbraw/zinc/09/84/64/1386098464.db2.gz LJBMIKXDILKVIV-OAHLLOKOSA-N 2 2 339.468 3.471 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001178649454 1386269080 /nfs/dbraw/zinc/26/90/80/1386269080.db2.gz JLSDDYXLSBPMOA-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001178649454 1386269082 /nfs/dbraw/zinc/26/90/82/1386269082.db2.gz JLSDDYXLSBPMOA-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178703841 1386284485 /nfs/dbraw/zinc/28/44/85/1386284485.db2.gz FMNLLVXLIJOQAL-MMUANNJHSA-N 2 2 340.471 3.192 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178865138 1386332975 /nfs/dbraw/zinc/33/29/75/1386332975.db2.gz PIHRWSLBCGKTMJ-JXCVUKRWSA-N 2 2 346.519 3.068 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178871245 1386334860 /nfs/dbraw/zinc/33/48/60/1386334860.db2.gz KCZPJNRMXQXBJN-WHLIDYPQSA-N 2 2 346.519 3.068 20 0 EGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141911 1386409507 /nfs/dbraw/zinc/40/95/07/1386409507.db2.gz TXEYYIZVOFTLEK-HOTGVXAUSA-N 2 2 328.460 3.107 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179557587 1386513678 /nfs/dbraw/zinc/51/36/78/1386513678.db2.gz GEIWWYPCXSFXOI-QGZVFWFLSA-N 2 2 346.519 3.286 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179621579 1386534006 /nfs/dbraw/zinc/53/40/06/1386534006.db2.gz ACBTVBNCQLVFIN-JACAYTRUSA-N 2 2 332.492 3.160 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179621577 1386534225 /nfs/dbraw/zinc/53/42/25/1386534225.db2.gz ACBTVBNCQLVFIN-AKSSPNHOSA-N 2 2 332.492 3.160 20 0 EGADLP CCOCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001320184329 1386551753 /nfs/dbraw/zinc/55/17/53/1386551753.db2.gz SSDICCXIYOLUMM-SFHVURJKSA-N 2 2 343.471 3.248 20 0 EGADLP CCOCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001320184329 1386551754 /nfs/dbraw/zinc/55/17/54/1386551754.db2.gz SSDICCXIYOLUMM-SFHVURJKSA-N 2 2 343.471 3.248 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001179689597 1386554270 /nfs/dbraw/zinc/55/42/70/1386554270.db2.gz GNFMKMYZGSFEGC-KRWDZBQOSA-N 2 2 342.487 3.288 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179777373 1386581346 /nfs/dbraw/zinc/58/13/46/1386581346.db2.gz VQLXNQCBNRKXTQ-KRWDZBQOSA-N 2 2 336.524 3.291 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179777373 1386581350 /nfs/dbraw/zinc/58/13/50/1386581350.db2.gz VQLXNQCBNRKXTQ-KRWDZBQOSA-N 2 2 336.524 3.291 20 0 EGADLP Cc1cccn2cc(CC(=O)NCCCCCC[NH2+]CC(C)C)[nH+]c12 ZINC001179824197 1386597609 /nfs/dbraw/zinc/59/76/09/1386597609.db2.gz WFDDGVHMVKCFFJ-UHFFFAOYSA-N 2 2 344.503 3.107 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]Cc1ccccc1Cl ZINC001179902210 1386622206 /nfs/dbraw/zinc/62/22/06/1386622206.db2.gz JENPFVCHKKOASY-UHFFFAOYSA-N 2 2 348.878 3.072 20 0 EGADLP CCOC(=O)C1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001180304772 1386759898 /nfs/dbraw/zinc/75/98/98/1386759898.db2.gz AZXYVSHUBHYPHL-SFHVURJKSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001180304772 1386759901 /nfs/dbraw/zinc/75/99/01/1386759901.db2.gz AZXYVSHUBHYPHL-SFHVURJKSA-N 2 2 344.499 3.363 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001322155590 1387080308 /nfs/dbraw/zinc/08/03/08/1387080308.db2.gz DJVGHDRXRYQGOU-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001322155590 1387080309 /nfs/dbraw/zinc/08/03/09/1387080309.db2.gz DJVGHDRXRYQGOU-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168453 1387085479 /nfs/dbraw/zinc/08/54/79/1387085479.db2.gz JNEHWZQDQNJSJV-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168453 1387085481 /nfs/dbraw/zinc/08/54/81/1387085481.db2.gz JNEHWZQDQNJSJV-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168453 1387085484 /nfs/dbraw/zinc/08/54/84/1387085484.db2.gz JNEHWZQDQNJSJV-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168453 1387085488 /nfs/dbraw/zinc/08/54/88/1387085488.db2.gz JNEHWZQDQNJSJV-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC001339092397 1389895333 /nfs/dbraw/zinc/89/53/33/1389895333.db2.gz BAVCSRWZMXDKJO-SFHVURJKSA-N 2 2 347.378 3.032 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCO[C@H](C)CC(C)C ZINC001332016376 1389947660 /nfs/dbraw/zinc/94/76/60/1389947660.db2.gz OTFYLOULVQDWES-CQSZACIVSA-N 2 2 330.432 3.356 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc(C2CCC2)[nH+]1 ZINC001334173869 1390493106 /nfs/dbraw/zinc/49/31/06/1390493106.db2.gz UAHJMVPTDWOIDW-MSOLQXFVSA-N 2 2 344.503 3.232 20 0 EGADLP CCc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[nH+]c1 ZINC001354154636 1392123362 /nfs/dbraw/zinc/12/33/62/1392123362.db2.gz DAWIOLMXDBHLJV-LJQANCHMSA-N 2 2 325.456 3.213 20 0 EGADLP CCc1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[nH+]c1 ZINC001354154636 1392123363 /nfs/dbraw/zinc/12/33/63/1392123363.db2.gz DAWIOLMXDBHLJV-LJQANCHMSA-N 2 2 325.456 3.213 20 0 EGADLP O=C(NC[C@H]([NH2+]CCC1CC1)c1ccccc1)c1cccc2[nH+]ccn21 ZINC001481367942 1394207504 /nfs/dbraw/zinc/20/75/04/1394207504.db2.gz DBGSPQKIFFABDJ-SFHVURJKSA-N 2 2 348.450 3.195 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCC1CCCCCC1 ZINC001481868267 1394567867 /nfs/dbraw/zinc/56/78/67/1394567867.db2.gz FXJWZMWHSDBZKG-QGZVFWFLSA-N 2 2 334.508 3.106 20 0 EGADLP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001484875730 1395580746 /nfs/dbraw/zinc/58/07/46/1395580746.db2.gz PKZOZWDLESXYDA-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP CCC(CC)C[N@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001484875730 1395580751 /nfs/dbraw/zinc/58/07/51/1395580751.db2.gz PKZOZWDLESXYDA-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001690606055 1404649178 /nfs/dbraw/zinc/64/91/78/1404649178.db2.gz FRHFSUDXACSSOS-DLBZAZTESA-N 2 2 348.450 3.341 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)C/C=C/c3ccccc3)ccn12 ZINC001690941362 1404845933 /nfs/dbraw/zinc/84/59/33/1404845933.db2.gz ADBYYHUGVPEHPY-RMKNXTFCSA-N 2 2 348.450 3.018 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)C/C=C/c3ccccc3)ccn12 ZINC001690941362 1404845936 /nfs/dbraw/zinc/84/59/36/1404845936.db2.gz ADBYYHUGVPEHPY-RMKNXTFCSA-N 2 2 348.450 3.018 20 0 EGADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccccc1C(C)C ZINC001691050491 1404966272 /nfs/dbraw/zinc/96/62/72/1404966272.db2.gz VLOPFTREUYZFHK-UHFFFAOYSA-N 2 2 342.487 3.022 20 0 EGADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccccc1C(C)C ZINC001691050491 1404966274 /nfs/dbraw/zinc/96/62/74/1404966274.db2.gz VLOPFTREUYZFHK-UHFFFAOYSA-N 2 2 342.487 3.022 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001691867576 1405589843 /nfs/dbraw/zinc/58/98/43/1405589843.db2.gz WYUVRJVXBRDGSB-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001691867576 1405589846 /nfs/dbraw/zinc/58/98/46/1405589846.db2.gz WYUVRJVXBRDGSB-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cc2C1 ZINC001700252359 1413699583 /nfs/dbraw/zinc/69/95/83/1413699583.db2.gz HSBXHVGJWOOHGG-MRXNPFEDSA-N 2 2 340.471 3.266 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cc2C1 ZINC001700252359 1413699585 /nfs/dbraw/zinc/69/95/85/1413699585.db2.gz HSBXHVGJWOOHGG-MRXNPFEDSA-N 2 2 340.471 3.266 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)C/C=C/c1ccccc1 ZINC001700467256 1414076880 /nfs/dbraw/zinc/07/68/80/1414076880.db2.gz RIPFTCCAULMMKP-FSNWXROXSA-N 2 2 348.450 3.326 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001700467256 1414076889 /nfs/dbraw/zinc/07/68/89/1414076889.db2.gz RIPFTCCAULMMKP-FSNWXROXSA-N 2 2 348.450 3.326 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)C/C=C/c1ccccc1 ZINC001700467262 1414077569 /nfs/dbraw/zinc/07/75/69/1414077569.db2.gz RIPFTCCAULMMKP-YXMGTMDOSA-N 2 2 348.450 3.326 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001700467262 1414077576 /nfs/dbraw/zinc/07/75/76/1414077576.db2.gz RIPFTCCAULMMKP-YXMGTMDOSA-N 2 2 348.450 3.326 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC001700528923 1414193481 /nfs/dbraw/zinc/19/34/81/1414193481.db2.gz MVZXBMBIAVOJCR-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC001700528923 1414193483 /nfs/dbraw/zinc/19/34/83/1414193483.db2.gz MVZXBMBIAVOJCR-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC(C)(C)CC1 ZINC001713323576 1417948342 /nfs/dbraw/zinc/94/83/42/1417948342.db2.gz MIYMKQNLMDCRTL-OAHLLOKOSA-N 2 2 342.487 3.259 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCC2)c1 ZINC001714144848 1418948485 /nfs/dbraw/zinc/94/84/85/1418948485.db2.gz NZORPVKVZWFWFP-INIZCTEOSA-N 2 2 340.471 3.040 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(Cl)c1 ZINC001714246460 1419033425 /nfs/dbraw/zinc/03/34/25/1419033425.db2.gz FLPAJJOBSVOVCH-GFCCVEGCSA-N 2 2 342.830 3.124 20 0 EGADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714286069 1419065086 /nfs/dbraw/zinc/06/50/86/1419065086.db2.gz IFQALZZRCXONCH-CABCVRRESA-N 2 2 342.487 3.105 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714695356 1419475169 /nfs/dbraw/zinc/47/51/69/1419475169.db2.gz QSIJNXSSOYWHNC-HZPDHXFCSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)C[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714915142 1419664708 /nfs/dbraw/zinc/66/47/08/1419664708.db2.gz RZNALATUBONIST-UHFFFAOYSA-N 2 2 328.460 3.003 20 0 EGADLP CC(C)C[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001714915142 1419664711 /nfs/dbraw/zinc/66/47/11/1419664711.db2.gz RZNALATUBONIST-UHFFFAOYSA-N 2 2 328.460 3.003 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714987407 1419720993 /nfs/dbraw/zinc/72/09/93/1419720993.db2.gz JTGRXABHNITRSX-PVAVHDDUSA-N 2 2 340.471 3.144 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714987407 1419720996 /nfs/dbraw/zinc/72/09/96/1419720996.db2.gz JTGRXABHNITRSX-PVAVHDDUSA-N 2 2 340.471 3.144 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213005 1419945175 /nfs/dbraw/zinc/94/51/75/1419945175.db2.gz TYSDZNYNRBRCJT-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213005 1419945177 /nfs/dbraw/zinc/94/51/77/1419945177.db2.gz TYSDZNYNRBRCJT-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCC1 ZINC001715594823 1420263525 /nfs/dbraw/zinc/26/35/25/1420263525.db2.gz VIJGYKXRASBJLB-KRWDZBQOSA-N 2 2 342.487 3.259 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001716404420 1420637269 /nfs/dbraw/zinc/63/72/69/1420637269.db2.gz LBBKQEKLMZBNLV-CRAIPNDOSA-N 2 2 348.450 3.120 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716443448 1420662276 /nfs/dbraw/zinc/66/22/76/1420662276.db2.gz UQRZCKLXWQPBKV-LBPRGKRZSA-N 2 2 342.830 3.124 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001716478985 1420694329 /nfs/dbraw/zinc/69/43/29/1420694329.db2.gz WZVHIPGDELSKBC-HOTGVXAUSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001716478985 1420694331 /nfs/dbraw/zinc/69/43/31/1420694331.db2.gz WZVHIPGDELSKBC-HOTGVXAUSA-N 2 2 344.503 3.375 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC(C)(C)C ZINC001717339058 1421276643 /nfs/dbraw/zinc/27/66/43/1421276643.db2.gz KUUFIMSXTAEZFJ-QZTJIDSGSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC(C)(C)C ZINC001717339058 1421276645 /nfs/dbraw/zinc/27/66/45/1421276645.db2.gz KUUFIMSXTAEZFJ-QZTJIDSGSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC(C)(C)C ZINC001717339057 1421276804 /nfs/dbraw/zinc/27/68/04/1421276804.db2.gz KUUFIMSXTAEZFJ-MSOLQXFVSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC(C)(C)C ZINC001717339057 1421276806 /nfs/dbraw/zinc/27/68/06/1421276806.db2.gz KUUFIMSXTAEZFJ-MSOLQXFVSA-N 2 2 348.535 3.459 20 0 EGADLP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377500 1421320144 /nfs/dbraw/zinc/32/01/44/1421320144.db2.gz LCRAHWDCWVPUJS-OALUTQOASA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377500 1421320147 /nfs/dbraw/zinc/32/01/47/1421320147.db2.gz LCRAHWDCWVPUJS-OALUTQOASA-N 2 2 346.519 3.024 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001724083327 1424652140 /nfs/dbraw/zinc/65/21/40/1424652140.db2.gz DROZQIWSZWHPNQ-LJQANCHMSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001724083327 1424652144 /nfs/dbraw/zinc/65/21/44/1424652144.db2.gz DROZQIWSZWHPNQ-LJQANCHMSA-N 2 2 346.519 3.187 20 0 EGADLP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001731605752 1427651026 /nfs/dbraw/zinc/65/10/26/1427651026.db2.gz IGMLWJSJUNWHOK-INIZCTEOSA-N 2 2 339.483 3.477 20 0 EGADLP C[C@H](CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001731881040 1428151999 /nfs/dbraw/zinc/15/19/99/1428151999.db2.gz BGJUGHVDDLHRBK-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001731881040 1428152000 /nfs/dbraw/zinc/15/20/00/1428152000.db2.gz BGJUGHVDDLHRBK-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC001731884412 1428157625 /nfs/dbraw/zinc/15/76/25/1428157625.db2.gz JOJXFCDTMZHZRT-WBVHZDCISA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC001731884412 1428157629 /nfs/dbraw/zinc/15/76/29/1428157629.db2.gz JOJXFCDTMZHZRT-WBVHZDCISA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001752143380 1440145084 /nfs/dbraw/zinc/14/50/84/1440145084.db2.gz MKZRWHUGCJBFBA-QZTJIDSGSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001752156947 1440147378 /nfs/dbraw/zinc/14/73/78/1440147378.db2.gz JAPWBCWDKSNHSC-HOTGVXAUSA-N 2 2 334.508 3.138 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508634 1440189913 /nfs/dbraw/zinc/18/99/13/1440189913.db2.gz XHXYNNODYIGZBW-RTBURBONSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508634 1440189914 /nfs/dbraw/zinc/18/99/14/1440189914.db2.gz XHXYNNODYIGZBW-RTBURBONSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113775 1440310061 /nfs/dbraw/zinc/31/00/61/1440310061.db2.gz SBTHUTFJWREWJX-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113775 1440310062 /nfs/dbraw/zinc/31/00/62/1440310062.db2.gz SBTHUTFJWREWJX-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP CC[C@H](F)C[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001753503721 1440423989 /nfs/dbraw/zinc/42/39/89/1440423989.db2.gz QJGNUCXINBRASG-INIZCTEOSA-N 2 2 346.450 3.023 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753586083 1440441372 /nfs/dbraw/zinc/44/13/72/1440441372.db2.gz JAOZVEXKTIKUGL-BRWVUGGUSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753586083 1440441373 /nfs/dbraw/zinc/44/13/73/1440441373.db2.gz JAOZVEXKTIKUGL-BRWVUGGUSA-N 2 2 334.508 3.042 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1)c1ccccc1 ZINC001753590461 1440442699 /nfs/dbraw/zinc/44/26/99/1440442699.db2.gz GPWROFUKZIBMEH-INIZCTEOSA-N 2 2 348.450 3.119 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001753742962 1440479797 /nfs/dbraw/zinc/47/97/97/1440479797.db2.gz BXQIMOOVBBOYPO-HKUYNNGSSA-N 2 2 342.487 3.073 20 0 EGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001753757402 1440483361 /nfs/dbraw/zinc/48/33/61/1440483361.db2.gz PXBJENVVVMYCKX-IRXDYDNUSA-N 2 2 342.487 3.355 20 0 EGADLP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753802424 1440491208 /nfs/dbraw/zinc/49/12/08/1440491208.db2.gz ZUVZDMKZCVSIJA-MYOVTOPRSA-N 2 2 346.519 3.224 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCF)c(C)[nH+]1 ZINC001754344458 1440589454 /nfs/dbraw/zinc/58/94/54/1440589454.db2.gz DGXFCMUCQHNRGE-SJORKVTESA-N 2 2 335.467 3.245 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC001754520621 1440619737 /nfs/dbraw/zinc/61/97/37/1440619737.db2.gz ZPZMRBFNFDLIRT-INIZCTEOSA-N 2 2 348.450 3.256 20 0 EGADLP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001754543518 1440626607 /nfs/dbraw/zinc/62/66/07/1440626607.db2.gz JMHPMLAEDIBWRL-SJORKVTESA-N 2 2 346.519 3.333 20 0 EGADLP CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001754543518 1440626608 /nfs/dbraw/zinc/62/66/08/1440626608.db2.gz JMHPMLAEDIBWRL-SJORKVTESA-N 2 2 346.519 3.333 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568388 1440636622 /nfs/dbraw/zinc/63/66/22/1440636622.db2.gz DGUVBNYURHDTNT-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568388 1440636623 /nfs/dbraw/zinc/63/66/23/1440636623.db2.gz DGUVBNYURHDTNT-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001754588522 1440640418 /nfs/dbraw/zinc/64/04/18/1440640418.db2.gz ZNBAOFZXTLZPNW-FQEVSTJZSA-N 2 2 343.515 3.012 20 0 EGADLP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](CCC2CCCCCC2)CC1 ZINC001754629868 1440647495 /nfs/dbraw/zinc/64/74/95/1440647495.db2.gz OELWJWUTVXWQLX-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001754649493 1440651499 /nfs/dbraw/zinc/65/14/99/1440651499.db2.gz DCXYTEKOKCKKOB-SCLBCKFNSA-N 2 2 346.450 3.189 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677310 1440660354 /nfs/dbraw/zinc/66/03/54/1440660354.db2.gz DGBFOUDSBZYEHN-ICSRJNTNSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677310 1440660355 /nfs/dbraw/zinc/66/03/55/1440660355.db2.gz DGBFOUDSBZYEHN-ICSRJNTNSA-N 2 2 340.471 3.005 20 0 EGADLP O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001754953554 1440715621 /nfs/dbraw/zinc/71/56/21/1440715621.db2.gz GFKGBUPJFPJPJG-VTTBKBBPSA-N 2 2 346.862 3.194 20 0 EGADLP CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754976205 1440720187 /nfs/dbraw/zinc/72/01/87/1440720187.db2.gz UMRSPHNUBNJCRU-UBZMYNMCSA-N 2 2 332.492 3.161 20 0 EGADLP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754976203 1440720230 /nfs/dbraw/zinc/72/02/30/1440720230.db2.gz UMRSPHNUBNJCRU-IFOCYFHOSA-N 2 2 332.492 3.161 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755025242 1440728374 /nfs/dbraw/zinc/72/83/74/1440728374.db2.gz QPNGBDBKXKQTOS-GOSISDBHSA-N 2 2 348.535 3.478 20 0 EGADLP CCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755025242 1440728375 /nfs/dbraw/zinc/72/83/75/1440728375.db2.gz QPNGBDBKXKQTOS-GOSISDBHSA-N 2 2 348.535 3.478 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028440 1440730159 /nfs/dbraw/zinc/73/01/59/1440730159.db2.gz FDYGKYBTMAERIW-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028440 1440730160 /nfs/dbraw/zinc/73/01/60/1440730160.db2.gz FDYGKYBTMAERIW-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP CCC(CC)C[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755039893 1440736449 /nfs/dbraw/zinc/73/64/49/1440736449.db2.gz XOWLOWZKJHMARC-UHFFFAOYSA-N 2 2 330.476 3.393 20 0 EGADLP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755039893 1440736450 /nfs/dbraw/zinc/73/64/50/1440736450.db2.gz XOWLOWZKJHMARC-UHFFFAOYSA-N 2 2 330.476 3.393 20 0 EGADLP CCC1([NH2+]CC=C(C)C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755073135 1440747383 /nfs/dbraw/zinc/74/73/83/1440747383.db2.gz HRGCTRIPNOOUQE-UHFFFAOYSA-N 2 2 332.492 3.014 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCCCCF ZINC001755159579 1440764316 /nfs/dbraw/zinc/76/43/16/1440764316.db2.gz BTGYNUQGBOSAAM-HZPDHXFCSA-N 2 2 346.450 3.057 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCCCCF ZINC001755159579 1440764317 /nfs/dbraw/zinc/76/43/17/1440764317.db2.gz BTGYNUQGBOSAAM-HZPDHXFCSA-N 2 2 346.450 3.057 20 0 EGADLP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755376581 1440838219 /nfs/dbraw/zinc/83/82/19/1440838219.db2.gz GMUYZDFSJPMHSS-SQRWCISFSA-N 2 2 340.471 3.049 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001755657342 1440892148 /nfs/dbraw/zinc/89/21/48/1440892148.db2.gz BYWPQAJQBLZTPS-LZCSOBMZSA-N 2 2 340.471 3.273 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001755757460 1440914273 /nfs/dbraw/zinc/91/42/73/1440914273.db2.gz NMTACIWSOPGHBO-QZTJIDSGSA-N 2 2 346.519 3.263 20 0 EGADLP CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)CCc1c[nH+]cn1C ZINC001755817069 1440924014 /nfs/dbraw/zinc/92/40/14/1440924014.db2.gz BQAYTSSLAAGDLW-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)N(CC[N@@H+](C)CC1=CCCCC1)C(=O)CCc1c[nH+]cn1C ZINC001755817069 1440924015 /nfs/dbraw/zinc/92/40/15/1440924015.db2.gz BQAYTSSLAAGDLW-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H]([NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755825938 1440927252 /nfs/dbraw/zinc/92/72/52/1440927252.db2.gz XBOBGIWEDHHHTO-YJBOKZPZSA-N 2 2 342.487 3.224 20 0 EGADLP C[C@H]([NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C)c1ccccc1 ZINC001755825938 1440927253 /nfs/dbraw/zinc/92/72/53/1440927253.db2.gz XBOBGIWEDHHHTO-YJBOKZPZSA-N 2 2 342.487 3.224 20 0 EGADLP CN(C)c1cccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164629220 719059181 /nfs/dbraw/zinc/05/91/81/719059181.db2.gz WPKVLTXQRFXDCA-MOPGFXCFSA-N 2 2 336.483 3.248 20 0 EGADLP CN(C)c1cccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164629220 719059186 /nfs/dbraw/zinc/05/91/86/719059186.db2.gz WPKVLTXQRFXDCA-MOPGFXCFSA-N 2 2 336.483 3.248 20 0 EGADLP CC(C)Oc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165043872 721956986 /nfs/dbraw/zinc/95/69/86/721956986.db2.gz FZZYJDJQONDHNE-UHFFFAOYSA-N 2 2 341.455 3.070 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302113 168341199 /nfs/dbraw/zinc/34/11/99/168341199.db2.gz QZVXNAADBGWWPP-ZFWWWQNUSA-N 2 2 346.368 3.293 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302113 168341201 /nfs/dbraw/zinc/34/12/01/168341201.db2.gz QZVXNAADBGWWPP-ZFWWWQNUSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302113 168341203 /nfs/dbraw/zinc/34/12/03/168341203.db2.gz QZVXNAADBGWWPP-ZFWWWQNUSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302113 168341206 /nfs/dbraw/zinc/34/12/06/168341206.db2.gz QZVXNAADBGWWPP-ZFWWWQNUSA-N 2 2 346.368 3.293 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000368578327 168376631 /nfs/dbraw/zinc/37/66/31/168376631.db2.gz MAZYNOBGWSVMPM-IBGZPJMESA-N 2 2 329.488 3.093 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000179508530 299309375 /nfs/dbraw/zinc/30/93/75/299309375.db2.gz FRMVRXQPFXQJKG-CTNYNGJSSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000179508530 299309381 /nfs/dbraw/zinc/30/93/81/299309381.db2.gz FRMVRXQPFXQJKG-CTNYNGJSSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276654914 201297527 /nfs/dbraw/zinc/29/75/27/201297527.db2.gz UZROHJUUGAUTGC-SJLPKXTDSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276654914 201297529 /nfs/dbraw/zinc/29/75/29/201297529.db2.gz UZROHJUUGAUTGC-SJLPKXTDSA-N 2 2 341.503 3.033 20 0 EGADLP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282412849 201328587 /nfs/dbraw/zinc/32/85/87/201328587.db2.gz AZDHOGMCBCCNPF-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282412849 201328591 /nfs/dbraw/zinc/32/85/91/201328591.db2.gz AZDHOGMCBCCNPF-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287577468 201334694 /nfs/dbraw/zinc/33/46/94/201334694.db2.gz HCPRRBBFTDRIAN-SIXLDLHFSA-N 2 2 342.405 3.206 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287577468 201334697 /nfs/dbraw/zinc/33/46/97/201334697.db2.gz HCPRRBBFTDRIAN-SIXLDLHFSA-N 2 2 342.405 3.206 20 0 EGADLP Fc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1Br ZINC000294457305 201346922 /nfs/dbraw/zinc/34/69/22/201346922.db2.gz SZLSMXWOKURSTN-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000132945797 223375704 /nfs/dbraw/zinc/37/57/04/223375704.db2.gz JRDOLOWPNMZPTJ-DLBZAZTESA-N 2 2 332.492 3.088 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000076001396 203331298 /nfs/dbraw/zinc/33/12/98/203331298.db2.gz BGHAOEYTCSVABR-JKSUJKDBSA-N 2 2 328.460 3.461 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000076001396 203331299 /nfs/dbraw/zinc/33/12/99/203331299.db2.gz BGHAOEYTCSVABR-JKSUJKDBSA-N 2 2 328.460 3.461 20 0 EGADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000262507229 245007337 /nfs/dbraw/zinc/00/73/37/245007337.db2.gz BPGWCCHBXLDWQL-VXGBXAGGSA-N 2 2 340.402 3.215 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1N(C)C ZINC000093942615 203707522 /nfs/dbraw/zinc/70/75/22/203707522.db2.gz JBCFQNNQJMJQAB-QGZVFWFLSA-N 2 2 338.499 3.463 20 0 EGADLP CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC[NH2+]CC1 ZINC000237108376 204384493 /nfs/dbraw/zinc/38/44/93/204384493.db2.gz KRJRHEUTKWOWLY-UHFFFAOYSA-N 2 2 345.830 3.351 20 0 EGADLP CSc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129861123 205215451 /nfs/dbraw/zinc/21/54/51/205215451.db2.gz IHCHCUSUTSJOQY-PBHICJAKSA-N 2 2 344.484 3.127 20 0 EGADLP CSc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129861123 205215458 /nfs/dbraw/zinc/21/54/58/205215458.db2.gz IHCHCUSUTSJOQY-PBHICJAKSA-N 2 2 344.484 3.127 20 0 EGADLP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+](C)C1CC1 ZINC000130996430 205269805 /nfs/dbraw/zinc/26/98/05/205269805.db2.gz UMFPRHITOPHVDJ-HNNXBMFYSA-N 2 2 335.923 3.377 20 0 EGADLP C[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+](C)C1CC1 ZINC000130996430 205269809 /nfs/dbraw/zinc/26/98/09/205269809.db2.gz UMFPRHITOPHVDJ-HNNXBMFYSA-N 2 2 335.923 3.377 20 0 EGADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000133677431 205373613 /nfs/dbraw/zinc/37/36/13/205373613.db2.gz AFLLROYNEOTGMS-KRWDZBQOSA-N 2 2 331.847 3.027 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000156595816 206089186 /nfs/dbraw/zinc/08/91/86/206089186.db2.gz YOMNTZJGKDQACK-IBGZPJMESA-N 2 2 328.456 3.264 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261641574 296227016 /nfs/dbraw/zinc/22/70/16/296227016.db2.gz IRVMTPUKCYTLIY-GXTWGEPZSA-N 2 2 328.287 3.034 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000265049842 247160786 /nfs/dbraw/zinc/16/07/86/247160786.db2.gz LJYIDTDEVQWPTD-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000265049842 247160791 /nfs/dbraw/zinc/16/07/91/247160791.db2.gz LJYIDTDEVQWPTD-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000265049842 247160796 /nfs/dbraw/zinc/16/07/96/247160796.db2.gz LJYIDTDEVQWPTD-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000265049842 247160801 /nfs/dbraw/zinc/16/08/01/247160801.db2.gz LJYIDTDEVQWPTD-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP c1cc2[nH+]ccc(NCc3cc[nH+]c(N4CCOCC4)c3)c2s1 ZINC000266152940 248133041 /nfs/dbraw/zinc/13/30/41/248133041.db2.gz KYSILLCUAWJYET-UHFFFAOYSA-N 2 2 326.425 3.140 20 0 EGADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)Cc2ccccc2C1 ZINC000378203828 169084581 /nfs/dbraw/zinc/08/45/81/169084581.db2.gz SLNDGZJZBJEEPL-UHFFFAOYSA-N 2 2 346.434 3.265 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967844 207076865 /nfs/dbraw/zinc/07/68/65/207076865.db2.gz WQKBPUVPRBJJKW-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967844 207076870 /nfs/dbraw/zinc/07/68/70/207076870.db2.gz WQKBPUVPRBJJKW-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967844 207076873 /nfs/dbraw/zinc/07/68/73/207076873.db2.gz WQKBPUVPRBJJKW-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967844 207076879 /nfs/dbraw/zinc/07/68/79/207076879.db2.gz WQKBPUVPRBJJKW-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473162 251089868 /nfs/dbraw/zinc/08/98/68/251089868.db2.gz YLKFAOAKQJKQHB-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473162 251089871 /nfs/dbraw/zinc/08/98/71/251089871.db2.gz YLKFAOAKQJKQHB-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP C[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177026234 207286099 /nfs/dbraw/zinc/28/60/99/207286099.db2.gz WYHAHRRYUQYCBE-UHFFFAOYSA-N 2 2 340.402 3.307 20 0 EGADLP C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177026234 207286103 /nfs/dbraw/zinc/28/61/03/207286103.db2.gz WYHAHRRYUQYCBE-UHFFFAOYSA-N 2 2 340.402 3.307 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177245236 207311518 /nfs/dbraw/zinc/31/15/18/207311518.db2.gz ABNPNLDRTPBSOS-OAQYLSRUSA-N 2 2 342.458 3.352 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccnc1Cl ZINC000268748997 252200895 /nfs/dbraw/zinc/20/08/95/252200895.db2.gz BTOCPTVOJXKSAG-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1Cl ZINC000268830621 252279684 /nfs/dbraw/zinc/27/96/84/252279684.db2.gz KLBHVAUVRRWUDA-GFCCVEGCSA-N 2 2 331.287 3.491 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000268848133 252295503 /nfs/dbraw/zinc/29/55/03/252295503.db2.gz CAFCOJHQCFVAIS-GDBMZVCRSA-N 2 2 334.460 3.199 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000246608147 141018363 /nfs/dbraw/zinc/01/83/63/141018363.db2.gz WQGVJISQZHMPSL-SLFFLAALSA-N 2 2 346.540 3.295 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000246608147 141018366 /nfs/dbraw/zinc/01/83/66/141018366.db2.gz WQGVJISQZHMPSL-SLFFLAALSA-N 2 2 346.540 3.295 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246751494 141031224 /nfs/dbraw/zinc/03/12/24/141031224.db2.gz HEZDLBGGOCXKOC-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246751494 141031225 /nfs/dbraw/zinc/03/12/25/141031225.db2.gz HEZDLBGGOCXKOC-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246751494 141031226 /nfs/dbraw/zinc/03/12/26/141031226.db2.gz HEZDLBGGOCXKOC-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246751494 141031227 /nfs/dbraw/zinc/03/12/27/141031227.db2.gz HEZDLBGGOCXKOC-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038437 /nfs/dbraw/zinc/03/84/37/141038437.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 3 2 335.561 3.280 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038439 /nfs/dbraw/zinc/03/84/39/141038439.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038441 /nfs/dbraw/zinc/03/84/41/141038441.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853469 141038444 /nfs/dbraw/zinc/03/84/44/141038444.db2.gz BPLGYLIYPAFAPQ-LNLFQRSKSA-N 3 2 335.561 3.280 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000246875445 141040604 /nfs/dbraw/zinc/04/06/04/141040604.db2.gz LEOZYPZNBYOZOI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000246875445 141040605 /nfs/dbraw/zinc/04/06/05/141040605.db2.gz LEOZYPZNBYOZOI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000246875445 141040606 /nfs/dbraw/zinc/04/06/06/141040606.db2.gz LEOZYPZNBYOZOI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000246875445 141040607 /nfs/dbraw/zinc/04/06/07/141040607.db2.gz LEOZYPZNBYOZOI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246912539 141043293 /nfs/dbraw/zinc/04/32/93/141043293.db2.gz FTGQKLKAXAYJIJ-SLEUVZQESA-N 2 2 328.403 3.115 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246912539 141043294 /nfs/dbraw/zinc/04/32/94/141043294.db2.gz FTGQKLKAXAYJIJ-SLEUVZQESA-N 2 2 328.403 3.115 20 0 EGADLP Cc1c[nH+]c(CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1C ZINC000342798437 141149478 /nfs/dbraw/zinc/14/94/78/141149478.db2.gz JKFHTGAVNZGBFP-HNNXBMFYSA-N 2 2 332.879 3.261 20 0 EGADLP O[C@]1(C[NH2+]Cc2cccc(Cl)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000344513252 141167459 /nfs/dbraw/zinc/16/74/59/141167459.db2.gz LFACJQFXNPQGNT-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915907 141216233 /nfs/dbraw/zinc/21/62/33/141216233.db2.gz JSDSGJPNGVITQN-DYVFJYSZSA-N 2 2 331.485 3.029 20 0 EGADLP C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915907 141216234 /nfs/dbraw/zinc/21/62/34/141216234.db2.gz JSDSGJPNGVITQN-DYVFJYSZSA-N 2 2 331.485 3.029 20 0 EGADLP COC(=O)C[N@H+](CCCc1c[nH+]ccc1C)CCc1ccccc1 ZINC000348144874 141238408 /nfs/dbraw/zinc/23/84/08/141238408.db2.gz RDWSTMQYLWVEEY-UHFFFAOYSA-N 2 2 326.440 3.040 20 0 EGADLP COC(=O)C[N@@H+](CCCc1c[nH+]ccc1C)CCc1ccccc1 ZINC000348144874 141238409 /nfs/dbraw/zinc/23/84/09/141238409.db2.gz RDWSTMQYLWVEEY-UHFFFAOYSA-N 2 2 326.440 3.040 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC[C@H]2CCC[NH+]2C)cn1 ZINC000348166487 141242809 /nfs/dbraw/zinc/24/28/09/141242809.db2.gz BZKJNKDLLNAVCZ-MOPGFXCFSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cn1 ZINC000348166487 141242810 /nfs/dbraw/zinc/24/28/10/141242810.db2.gz BZKJNKDLLNAVCZ-MOPGFXCFSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000348166487 141242811 /nfs/dbraw/zinc/24/28/11/141242811.db2.gz BZKJNKDLLNAVCZ-MOPGFXCFSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[NH+](C)CC[C@H]2CCC[N@H+]2C)cn1 ZINC000348166487 141242812 /nfs/dbraw/zinc/24/28/12/141242812.db2.gz BZKJNKDLLNAVCZ-MOPGFXCFSA-N 2 2 330.451 3.065 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930492 141270908 /nfs/dbraw/zinc/27/09/08/141270908.db2.gz LDFNOQMUKPEHIQ-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930492 141270909 /nfs/dbraw/zinc/27/09/09/141270909.db2.gz LDFNOQMUKPEHIQ-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930492 141270910 /nfs/dbraw/zinc/27/09/10/141270910.db2.gz LDFNOQMUKPEHIQ-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OCC(C)C ZINC000352930492 141270911 /nfs/dbraw/zinc/27/09/11/141270911.db2.gz LDFNOQMUKPEHIQ-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000353438778 141295238 /nfs/dbraw/zinc/29/52/38/141295238.db2.gz VPGBRBFDROWNJK-HXUWFJFHSA-N 2 2 325.456 3.059 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000178482870 144072309 /nfs/dbraw/zinc/07/23/09/144072309.db2.gz WQANDXYRFZDIKI-ULQDDVLXSA-N 2 2 327.472 3.385 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632482 144073119 /nfs/dbraw/zinc/07/31/19/144073119.db2.gz XRYNOUUAAZGRJK-RDJZCZTQSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632482 144073121 /nfs/dbraw/zinc/07/31/21/144073121.db2.gz XRYNOUUAAZGRJK-RDJZCZTQSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632482 144073123 /nfs/dbraw/zinc/07/31/23/144073123.db2.gz XRYNOUUAAZGRJK-RDJZCZTQSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632482 144073125 /nfs/dbraw/zinc/07/31/25/144073125.db2.gz XRYNOUUAAZGRJK-RDJZCZTQSA-N 2 2 329.419 3.397 20 0 EGADLP Oc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000185473202 144113443 /nfs/dbraw/zinc/11/34/43/144113443.db2.gz JJHSRMGVOVMSJC-UHFFFAOYSA-N 2 2 332.394 3.425 20 0 EGADLP FC(F)(F)C1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185517761 144113877 /nfs/dbraw/zinc/11/38/77/144113877.db2.gz CNKXZNZZBWKKBO-PCKAHOCUSA-N 2 2 334.426 3.009 20 0 EGADLP FC(F)(F)C1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185517761 144113879 /nfs/dbraw/zinc/11/38/79/144113879.db2.gz CNKXZNZZBWKKBO-PCKAHOCUSA-N 2 2 334.426 3.009 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000186423860 144133238 /nfs/dbraw/zinc/13/32/38/144133238.db2.gz OWUZMJHUFMYCNI-GOSISDBHSA-N 2 2 339.483 3.242 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000186423860 144133240 /nfs/dbraw/zinc/13/32/40/144133240.db2.gz OWUZMJHUFMYCNI-GOSISDBHSA-N 2 2 339.483 3.242 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000192193118 144172181 /nfs/dbraw/zinc/17/21/81/144172181.db2.gz SFLOTBAOVSIIKH-UHFFFAOYSA-N 2 2 343.496 3.279 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000192193118 144172182 /nfs/dbraw/zinc/17/21/82/144172182.db2.gz SFLOTBAOVSIIKH-UHFFFAOYSA-N 2 2 343.496 3.279 20 0 EGADLP FC(F)(F)c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351570495 144281783 /nfs/dbraw/zinc/28/17/83/144281783.db2.gz WMGJQJWGDKNPQQ-UHFFFAOYSA-N 2 2 332.329 3.379 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609824 144287765 /nfs/dbraw/zinc/28/77/65/144287765.db2.gz MQFYZLDMUQJIOO-YOEHRIQHSA-N 2 2 326.431 3.097 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609824 144287767 /nfs/dbraw/zinc/28/77/67/144287767.db2.gz MQFYZLDMUQJIOO-YOEHRIQHSA-N 2 2 326.431 3.097 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625629 144289849 /nfs/dbraw/zinc/28/98/49/144289849.db2.gz AXUXLVOBGSRXIY-YJBOKZPZSA-N 2 2 347.532 3.090 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625629 144289851 /nfs/dbraw/zinc/28/98/51/144289851.db2.gz AXUXLVOBGSRXIY-YJBOKZPZSA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625629 144289856 /nfs/dbraw/zinc/28/98/56/144289856.db2.gz AXUXLVOBGSRXIY-YJBOKZPZSA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2scnc2C)[C@H]1c1cnn(C)c1 ZINC000351625629 144289858 /nfs/dbraw/zinc/28/98/58/144289858.db2.gz AXUXLVOBGSRXIY-YJBOKZPZSA-N 2 2 347.532 3.090 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351777543 144305381 /nfs/dbraw/zinc/30/53/81/144305381.db2.gz FZQWDVHOZVLPOE-MRXNPFEDSA-N 2 2 342.487 3.447 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351777543 144305383 /nfs/dbraw/zinc/30/53/83/144305383.db2.gz FZQWDVHOZVLPOE-MRXNPFEDSA-N 2 2 342.487 3.447 20 0 EGADLP Cc1ccn2c(CN3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)c[nH+]c2c1 ZINC000352284993 144322822 /nfs/dbraw/zinc/32/28/22/144322822.db2.gz CSIFNQWEVWKONC-BZSNNMDCSA-N 2 2 326.488 3.480 20 0 EGADLP CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000361576545 144330646 /nfs/dbraw/zinc/33/06/46/144330646.db2.gz HCHBAYUENNSBQM-HXUWFJFHSA-N 2 2 344.547 3.482 20 0 EGADLP CCN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000361576545 144330648 /nfs/dbraw/zinc/33/06/48/144330648.db2.gz HCHBAYUENNSBQM-HXUWFJFHSA-N 2 2 344.547 3.482 20 0 EGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000361642988 144341577 /nfs/dbraw/zinc/34/15/77/144341577.db2.gz FIBPWFZDMPCTFJ-UHFFFAOYSA-N 2 2 335.386 3.415 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnn(Cc3ccccc3)c1)CCC2 ZINC000364088503 144391662 /nfs/dbraw/zinc/39/16/62/144391662.db2.gz DWLHXIPJLKSGPN-LJQANCHMSA-N 2 2 335.455 3.104 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c(C)c1 ZINC000310036086 292146862 /nfs/dbraw/zinc/14/68/62/292146862.db2.gz SHIMTHPBMOWCBA-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C)c1 ZINC000310036086 292146864 /nfs/dbraw/zinc/14/68/64/292146864.db2.gz SHIMTHPBMOWCBA-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936832 286161755 /nfs/dbraw/zinc/16/17/55/286161755.db2.gz KSBVOCIXEOJJSJ-RVSPLBMKSA-N 2 2 328.859 3.487 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936832 286161756 /nfs/dbraw/zinc/16/17/56/286161756.db2.gz KSBVOCIXEOJJSJ-RVSPLBMKSA-N 2 2 328.859 3.487 20 0 EGADLP Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000115318469 152005793 /nfs/dbraw/zinc/00/57/93/152005793.db2.gz YOGXMKHYARUUJO-UHFFFAOYSA-N 2 2 327.428 3.252 20 0 EGADLP C[NH+](C)CCc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117649218 152109499 /nfs/dbraw/zinc/10/94/99/152109499.db2.gz OGHSGVLERFTOAU-UHFFFAOYSA-N 2 2 334.423 3.229 20 0 EGADLP CCc1noc(C)c1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000119316562 152193534 /nfs/dbraw/zinc/19/35/34/152193534.db2.gz YZGYPCZHKNRJSZ-UHFFFAOYSA-N 2 2 342.487 3.079 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000190715686 153156295 /nfs/dbraw/zinc/15/62/95/153156295.db2.gz GIJSAPCZQWRLJJ-IRXDYDNUSA-N 2 2 332.488 3.064 20 0 EGADLP CCN(C)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000190870027 153163044 /nfs/dbraw/zinc/16/30/44/153163044.db2.gz CTGNVIDMSJMQHD-UHFFFAOYSA-N 2 2 339.418 3.152 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193161386 153280369 /nfs/dbraw/zinc/28/03/69/153280369.db2.gz INMMFLMSMMORQH-XLIONFOSSA-N 2 2 344.499 3.030 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193161386 153280370 /nfs/dbraw/zinc/28/03/70/153280370.db2.gz INMMFLMSMMORQH-XLIONFOSSA-N 2 2 344.499 3.030 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000337399838 154333021 /nfs/dbraw/zinc/33/30/21/154333021.db2.gz QPDHTSLDLGPZGA-NVXWUHKLSA-N 2 2 334.504 3.265 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000337399838 154333027 /nfs/dbraw/zinc/33/30/27/154333027.db2.gz QPDHTSLDLGPZGA-NVXWUHKLSA-N 2 2 334.504 3.265 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2c1 ZINC000341037227 155127334 /nfs/dbraw/zinc/12/73/34/155127334.db2.gz ARCKDSANFDVMPS-YLJYHZDGSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2c1 ZINC000341037227 155127336 /nfs/dbraw/zinc/12/73/36/155127336.db2.gz ARCKDSANFDVMPS-YLJYHZDGSA-N 2 2 349.482 3.038 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1cccs1 ZINC000345305334 156046009 /nfs/dbraw/zinc/04/60/09/156046009.db2.gz PKXCLEBSVCRHHK-YEWDVWPNSA-N 2 2 344.484 3.027 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000345333079 156057172 /nfs/dbraw/zinc/05/71/72/156057172.db2.gz XLELXWZOPNITIT-UHFFFAOYSA-N 2 2 328.460 3.063 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000347014485 156248336 /nfs/dbraw/zinc/24/83/36/156248336.db2.gz XNHTZSWWZILNQD-HNAYVOBHSA-N 2 2 337.458 3.033 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000347014485 156248338 /nfs/dbraw/zinc/24/83/38/156248338.db2.gz XNHTZSWWZILNQD-HNAYVOBHSA-N 2 2 337.458 3.033 20 0 EGADLP CC[N@H+](Cc1ccoc1C(=O)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000348968303 156304907 /nfs/dbraw/zinc/30/49/07/156304907.db2.gz RHKOMSRMVQNYRO-UHFFFAOYSA-N 2 2 330.428 3.150 20 0 EGADLP CC[N@@H+](Cc1ccoc1C(=O)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000348968303 156304909 /nfs/dbraw/zinc/30/49/09/156304909.db2.gz RHKOMSRMVQNYRO-UHFFFAOYSA-N 2 2 330.428 3.150 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1F ZINC000368809096 157294480 /nfs/dbraw/zinc/29/44/80/157294480.db2.gz GGNXIQSBTPSQFD-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1F ZINC000368809096 157294482 /nfs/dbraw/zinc/29/44/82/157294482.db2.gz GGNXIQSBTPSQFD-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP [NH3+]Cc1cc(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)co1 ZINC000372439802 157332233 /nfs/dbraw/zinc/33/22/33/157332233.db2.gz VNCLHCOJELTRCN-UHFFFAOYSA-N 2 2 336.395 3.190 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093371074 162005570 /nfs/dbraw/zinc/00/55/70/162005570.db2.gz RNQOXHDEXAKTIU-KFWWJZLASA-N 2 2 337.533 3.172 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563700 162015552 /nfs/dbraw/zinc/01/55/52/162015552.db2.gz VZTJDUUAXAXVLY-KRWDZBQOSA-N 2 2 328.460 3.428 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563700 162015554 /nfs/dbraw/zinc/01/55/54/162015554.db2.gz VZTJDUUAXAXVLY-KRWDZBQOSA-N 2 2 328.460 3.428 20 0 EGADLP C[C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114322208 162227949 /nfs/dbraw/zinc/22/79/49/162227949.db2.gz LTNYPNLXONATRD-KRWDZBQOSA-N 2 2 349.563 3.268 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(OC)s2)CC1 ZINC000125219471 162267374 /nfs/dbraw/zinc/26/73/74/162267374.db2.gz PZHNAZWDQHYCNV-UHFFFAOYSA-N 2 2 347.322 3.435 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(OC)s2)CC1 ZINC000125219471 162267377 /nfs/dbraw/zinc/26/73/77/162267377.db2.gz PZHNAZWDQHYCNV-UHFFFAOYSA-N 2 2 347.322 3.435 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248493065 163009417 /nfs/dbraw/zinc/00/94/17/163009417.db2.gz JTEBMDHRBOTKSB-IIDMSEBBSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248493065 163009418 /nfs/dbraw/zinc/00/94/18/163009418.db2.gz JTEBMDHRBOTKSB-IIDMSEBBSA-N 2 2 344.528 3.450 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000248787952 163034475 /nfs/dbraw/zinc/03/44/75/163034475.db2.gz IMMVBWBXCQHIHQ-FRYIKTPZSA-N 2 2 345.531 3.474 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000248787952 163034477 /nfs/dbraw/zinc/03/44/77/163034477.db2.gz IMMVBWBXCQHIHQ-FRYIKTPZSA-N 2 2 345.531 3.474 20 0 EGADLP COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000338638366 163301231 /nfs/dbraw/zinc/30/12/31/163301231.db2.gz VNVUEQSVTJKFDT-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP COc1ccc2c(c1)OCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000338638366 163301235 /nfs/dbraw/zinc/30/12/35/163301235.db2.gz VNVUEQSVTJKFDT-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000343645469 164002154 /nfs/dbraw/zinc/00/21/54/164002154.db2.gz XUTCODDUERCHHG-UHFFFAOYSA-N 2 2 348.450 3.172 20 0 EGADLP CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682621 164011689 /nfs/dbraw/zinc/01/16/89/164011689.db2.gz ROHPHSYCLOICRM-YWZLYKJASA-N 2 2 341.455 3.278 20 0 EGADLP CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682621 164011690 /nfs/dbraw/zinc/01/16/90/164011690.db2.gz ROHPHSYCLOICRM-YWZLYKJASA-N 2 2 341.455 3.278 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(Br)c1 ZINC000344022610 164084512 /nfs/dbraw/zinc/08/45/12/164084512.db2.gz NZSJLZVIFMDDBE-NWDGAFQWSA-N 2 2 329.282 3.449 20 0 EGADLP CCC1(CC)[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1OC ZINC000344037328 164087837 /nfs/dbraw/zinc/08/78/37/164087837.db2.gz WVUBKJRICGTXKT-PMACEKPBSA-N 2 2 346.515 3.202 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCCCC2 ZINC000344097525 164102369 /nfs/dbraw/zinc/10/23/69/164102369.db2.gz RZOFIJYQGJHKPX-ROUUACIJSA-N 2 2 331.504 3.479 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]CCc3ccco3)c[nH+]c12 ZINC000344115919 164106497 /nfs/dbraw/zinc/10/64/97/164106497.db2.gz APEKHYBLNCGPCK-UHFFFAOYSA-N 2 2 334.217 3.331 20 0 EGADLP c1cn(Cc2cccc(-c3noc(-c4ccc5c[nH+]cn5c4)n3)c2)c[nH+]1 ZINC000346007539 164316170 /nfs/dbraw/zinc/31/61/70/164316170.db2.gz CLXNINOZFPPAIY-UHFFFAOYSA-N 2 2 342.362 3.296 20 0 EGADLP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)NCC[NH+](C(C)C)C(C)C ZINC000346502130 164387884 /nfs/dbraw/zinc/38/78/84/164387884.db2.gz VRSLFKMZFJCRDY-OAQYLSRUSA-N 2 2 347.547 3.077 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352101441 165237029 /nfs/dbraw/zinc/23/70/29/165237029.db2.gz KGNIFCJZOXDDFV-QGZVFWFLSA-N 2 2 340.870 3.056 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352101441 165237030 /nfs/dbraw/zinc/23/70/30/165237030.db2.gz KGNIFCJZOXDDFV-QGZVFWFLSA-N 2 2 340.870 3.056 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000355034244 166090074 /nfs/dbraw/zinc/09/00/74/166090074.db2.gz SCCHMGRBHIQNHH-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000355034244 166090076 /nfs/dbraw/zinc/09/00/76/166090076.db2.gz SCCHMGRBHIQNHH-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667702 166278820 /nfs/dbraw/zinc/27/88/20/166278820.db2.gz YJEVUASWZCLGLI-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667702 166278821 /nfs/dbraw/zinc/27/88/21/166278821.db2.gz YJEVUASWZCLGLI-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667702 166278822 /nfs/dbraw/zinc/27/88/22/166278822.db2.gz YJEVUASWZCLGLI-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@]2(CCOC2)O1 ZINC000355667702 166278824 /nfs/dbraw/zinc/27/88/24/166278824.db2.gz YJEVUASWZCLGLI-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000355727738 166291787 /nfs/dbraw/zinc/29/17/87/166291787.db2.gz CITAEMUDLODESO-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000355727738 166291789 /nfs/dbraw/zinc/29/17/89/166291789.db2.gz CITAEMUDLODESO-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000355727738 166291790 /nfs/dbraw/zinc/29/17/90/166291790.db2.gz CITAEMUDLODESO-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355727738 166291793 /nfs/dbraw/zinc/29/17/93/166291793.db2.gz CITAEMUDLODESO-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP [NH3+]CCC[N@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1 ZINC000359458165 167161753 /nfs/dbraw/zinc/16/17/53/167161753.db2.gz PIXROSJICPQTEI-QGZVFWFLSA-N 2 2 331.485 3.346 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1 ZINC000359458165 167161754 /nfs/dbraw/zinc/16/17/54/167161754.db2.gz PIXROSJICPQTEI-QGZVFWFLSA-N 2 2 331.485 3.346 20 0 EGADLP Cc1cc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000359900427 167262825 /nfs/dbraw/zinc/26/28/25/167262825.db2.gz NHNLWQKCMAUEGT-OALUTQOASA-N 2 2 334.467 3.231 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000360546582 167354332 /nfs/dbraw/zinc/35/43/32/167354332.db2.gz NZQLPKPPIUPPHK-SFHVURJKSA-N 2 2 329.469 3.004 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000360546582 167354334 /nfs/dbraw/zinc/35/43/34/167354334.db2.gz NZQLPKPPIUPPHK-SFHVURJKSA-N 2 2 329.469 3.004 20 0 EGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(C(C)(C)C)on3)CC2)C[C@H](C)O1 ZINC000365985887 168068423 /nfs/dbraw/zinc/06/84/23/168068423.db2.gz DXBOYINCGXHFCW-HOTGVXAUSA-N 2 2 349.519 3.293 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367439329 168225656 /nfs/dbraw/zinc/22/56/56/168225656.db2.gz SZIYAPNXQFQJSH-OAHLLOKOSA-N 2 2 329.444 3.095 20 0 EGADLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccco1 ZINC000167250651 226184515 /nfs/dbraw/zinc/18/45/15/226184515.db2.gz FSOSLKPXBIJYNL-LJQANCHMSA-N 2 2 348.874 3.395 20 0 EGADLP CN(C)[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000124078614 222373062 /nfs/dbraw/zinc/37/30/62/222373062.db2.gz KMORPEGVWBPLOI-INIZCTEOSA-N 2 2 330.501 3.004 20 0 EGADLP CCCn1c(C)nnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677884217 549350193 /nfs/dbraw/zinc/35/01/93/549350193.db2.gz MNTAOKZOJOFJAT-UHFFFAOYSA-N 2 2 333.524 3.085 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000178332265 265308809 /nfs/dbraw/zinc/30/88/09/265308809.db2.gz JEJHNGQRVKKQBW-YOEHRIQHSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000178332265 265308814 /nfs/dbraw/zinc/30/88/14/265308814.db2.gz JEJHNGQRVKKQBW-YOEHRIQHSA-N 2 2 342.430 3.295 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000236950290 266220603 /nfs/dbraw/zinc/22/06/03/266220603.db2.gz UTBYEWSUMVFIAD-IBGZPJMESA-N 2 2 326.444 3.288 20 0 EGADLP FC(F)(F)COc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000266212810 266273749 /nfs/dbraw/zinc/27/37/49/266273749.db2.gz ORJHWTDMSNVHEQ-UHFFFAOYSA-N 2 2 328.378 3.344 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](O)c1cccc(F)c1 ZINC000272504687 266857600 /nfs/dbraw/zinc/85/76/00/266857600.db2.gz FDCGROBPYMOALE-BLLLJJGKSA-N 2 2 348.384 3.254 20 0 EGADLP CC[NH+](CC)CCOCC[N@H+](Cc1ccon1)Cc1ccccc1 ZINC000273065636 266970308 /nfs/dbraw/zinc/97/03/08/266970308.db2.gz NJZHDEIPEMVLDL-UHFFFAOYSA-N 2 2 331.460 3.035 20 0 EGADLP CC[NH+](CC)CCOCC[N@@H+](Cc1ccon1)Cc1ccccc1 ZINC000273065636 266970310 /nfs/dbraw/zinc/97/03/10/266970310.db2.gz NJZHDEIPEMVLDL-UHFFFAOYSA-N 2 2 331.460 3.035 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccccn3)[nH+]c12 ZINC000273522181 267053188 /nfs/dbraw/zinc/05/31/88/267053188.db2.gz SSRYUABZELTRAT-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP Cc1cncc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000274366249 267224147 /nfs/dbraw/zinc/22/41/47/267224147.db2.gz JRTACLJRYCCHFP-YJBOKZPZSA-N 2 2 325.460 3.098 20 0 EGADLP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474758 267244260 /nfs/dbraw/zinc/24/42/60/267244260.db2.gz KYOWYOLLDIDLAR-INIZCTEOSA-N 2 2 348.441 3.312 20 0 EGADLP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474758 267244262 /nfs/dbraw/zinc/24/42/62/267244262.db2.gz KYOWYOLLDIDLAR-INIZCTEOSA-N 2 2 348.441 3.312 20 0 EGADLP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474758 267244265 /nfs/dbraw/zinc/24/42/65/267244265.db2.gz KYOWYOLLDIDLAR-INIZCTEOSA-N 2 2 348.441 3.312 20 0 EGADLP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474758 267244267 /nfs/dbraw/zinc/24/42/67/267244267.db2.gz KYOWYOLLDIDLAR-INIZCTEOSA-N 2 2 348.441 3.312 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000275376200 267352647 /nfs/dbraw/zinc/35/26/47/267352647.db2.gz WSRZAYZLDGMVHA-SNVBAGLBSA-N 2 2 330.245 3.118 20 0 EGADLP CC(C)(CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000276876318 267645009 /nfs/dbraw/zinc/64/50/09/267645009.db2.gz KOULFTBDBPJBLB-QGZVFWFLSA-N 2 2 330.451 3.350 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCCC(=O)OC)CC1 ZINC000093299911 273774970 /nfs/dbraw/zinc/77/49/70/273774970.db2.gz QLBMNJJMIDPBRM-UHFFFAOYSA-N 2 2 329.444 3.189 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000359525916 274137008 /nfs/dbraw/zinc/13/70/08/274137008.db2.gz SXSJMSGVWFRULO-AZUAARDMSA-N 2 2 332.488 3.019 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)CCC2 ZINC000359525916 274137009 /nfs/dbraw/zinc/13/70/09/274137009.db2.gz SXSJMSGVWFRULO-AZUAARDMSA-N 2 2 332.488 3.019 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000109786256 275179257 /nfs/dbraw/zinc/17/92/57/275179257.db2.gz RHVVOIKLUBSORL-QGZVFWFLSA-N 2 2 343.515 3.161 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000109786256 275179258 /nfs/dbraw/zinc/17/92/58/275179258.db2.gz RHVVOIKLUBSORL-QGZVFWFLSA-N 2 2 343.515 3.161 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccno2)cc1 ZINC000272356971 275244455 /nfs/dbraw/zinc/24/44/55/275244455.db2.gz MHERBIXONLYDOO-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccno2)cc1 ZINC000272356971 275244456 /nfs/dbraw/zinc/24/44/56/275244456.db2.gz MHERBIXONLYDOO-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cnn1C(C)(C)C ZINC000278900001 275285817 /nfs/dbraw/zinc/28/58/17/275285817.db2.gz FSHRWRXGVLXLAK-DHSIGJKJSA-N 2 2 345.491 3.251 20 0 EGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000278977266 275292900 /nfs/dbraw/zinc/29/29/00/275292900.db2.gz OGKMKIBBNUEGHV-HBFSDRIKSA-N 2 2 327.472 3.497 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279248596 275316198 /nfs/dbraw/zinc/31/61/98/275316198.db2.gz SPOCNTFZEDDTOG-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279248596 275316199 /nfs/dbraw/zinc/31/61/99/275316199.db2.gz SPOCNTFZEDDTOG-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(Cl)c1 ZINC000279448585 275331813 /nfs/dbraw/zinc/33/18/13/275331813.db2.gz IBGWGEITJJUGLU-QGZVFWFLSA-N 2 2 349.837 3.166 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1C ZINC000282140642 275605810 /nfs/dbraw/zinc/60/58/10/275605810.db2.gz KPHWPOPGHXPURI-QGZVFWFLSA-N 2 2 326.488 3.086 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1nncn1C ZINC000287249019 276100617 /nfs/dbraw/zinc/10/06/17/276100617.db2.gz PKIMJSFAMHICHJ-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nncn1C ZINC000287249019 276100618 /nfs/dbraw/zinc/10/06/18/276100618.db2.gz PKIMJSFAMHICHJ-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1nncn1C ZINC000287249028 276100671 /nfs/dbraw/zinc/10/06/71/276100671.db2.gz PKIMJSFAMHICHJ-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1nncn1C ZINC000287249028 276100672 /nfs/dbraw/zinc/10/06/72/276100672.db2.gz PKIMJSFAMHICHJ-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000287339678 276109780 /nfs/dbraw/zinc/10/97/80/276109780.db2.gz YQWURMGQHRIDFF-LBPRGKRZSA-N 2 2 333.819 3.207 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H](C)C1 ZINC000287520018 276128187 /nfs/dbraw/zinc/12/81/87/276128187.db2.gz OMJBMOZUZCQBSZ-PXNSSMCTSA-N 2 2 339.483 3.481 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H](C)C1 ZINC000287520018 276128188 /nfs/dbraw/zinc/12/81/88/276128188.db2.gz OMJBMOZUZCQBSZ-PXNSSMCTSA-N 2 2 339.483 3.481 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@@H+]1C ZINC000287700761 276148660 /nfs/dbraw/zinc/14/86/60/276148660.db2.gz XDAWMSWODFVXDT-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@H+]1C ZINC000287700761 276148661 /nfs/dbraw/zinc/14/86/61/276148661.db2.gz XDAWMSWODFVXDT-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287704948 276148966 /nfs/dbraw/zinc/14/89/66/276148966.db2.gz ZVFXXGDNXLWKAO-GDBMZVCRSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000287704948 276148967 /nfs/dbraw/zinc/14/89/67/276148967.db2.gz ZVFXXGDNXLWKAO-GDBMZVCRSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1cc(NCc2ccncc2OCCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000288133940 276185324 /nfs/dbraw/zinc/18/53/24/276185324.db2.gz FEYJJGPDZGEDJS-UHFFFAOYSA-N 2 2 341.459 3.000 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000288970311 276273104 /nfs/dbraw/zinc/27/31/04/276273104.db2.gz BRCXKAKSCRUBQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000288970311 276273105 /nfs/dbraw/zinc/27/31/05/276273105.db2.gz BRCXKAKSCRUBQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000288970311 276273106 /nfs/dbraw/zinc/27/31/06/276273106.db2.gz BRCXKAKSCRUBQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000288970311 276273108 /nfs/dbraw/zinc/27/31/08/276273108.db2.gz BRCXKAKSCRUBQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000289178259 276300453 /nfs/dbraw/zinc/30/04/53/276300453.db2.gz SLZALGSIYOIIEJ-UHFFFAOYSA-N 2 2 330.863 3.193 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]3COCC[C@H]32)[nH+]1 ZINC000289256548 276312092 /nfs/dbraw/zinc/31/20/92/276312092.db2.gz FKYRBWJLVLMWNF-XUVXKRRUSA-N 2 2 333.435 3.339 20 0 EGADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]3COCC[C@H]32)[nH+]1 ZINC000289256548 276312093 /nfs/dbraw/zinc/31/20/93/276312093.db2.gz FKYRBWJLVLMWNF-XUVXKRRUSA-N 2 2 333.435 3.339 20 0 EGADLP COc1cc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cc(OC)c1O ZINC000289350800 276326088 /nfs/dbraw/zinc/32/60/88/276326088.db2.gz XJIXYVVQRBCBIQ-KRWDZBQOSA-N 2 2 344.455 3.110 20 0 EGADLP Cc1nc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000289421195 276336554 /nfs/dbraw/zinc/33/65/54/276336554.db2.gz WHILQNKPOGNILV-CQSZACIVSA-N 2 2 329.448 3.073 20 0 EGADLP Cc1nc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000289421195 276336555 /nfs/dbraw/zinc/33/65/55/276336555.db2.gz WHILQNKPOGNILV-CQSZACIVSA-N 2 2 329.448 3.073 20 0 EGADLP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000289562969 276358380 /nfs/dbraw/zinc/35/83/80/276358380.db2.gz XXOZOVYORZYFBM-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000289562969 276358382 /nfs/dbraw/zinc/35/83/82/276358382.db2.gz XXOZOVYORZYFBM-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000290524924 276506941 /nfs/dbraw/zinc/50/69/41/276506941.db2.gz XVPYQINQIWRMOA-UHFFFAOYSA-N 2 2 328.456 3.446 20 0 EGADLP CCCOc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000291114662 276591694 /nfs/dbraw/zinc/59/16/94/276591694.db2.gz KVGUNZLVOKOLEX-UHFFFAOYSA-N 2 2 345.409 3.377 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000375503859 288065718 /nfs/dbraw/zinc/06/57/18/288065718.db2.gz ZQENRWJQNIDPMO-HDMKZQKVSA-N 2 2 346.862 3.134 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000174226002 279125323 /nfs/dbraw/zinc/12/53/23/279125323.db2.gz KMBFLRGBHXFCQK-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000174226002 279125326 /nfs/dbraw/zinc/12/53/26/279125326.db2.gz KMBFLRGBHXFCQK-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152487747 279235747 /nfs/dbraw/zinc/23/57/47/279235747.db2.gz NRLFWGXAPVNDDA-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152487747 279235749 /nfs/dbraw/zinc/23/57/49/279235749.db2.gz NRLFWGXAPVNDDA-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152487747 279235750 /nfs/dbraw/zinc/23/57/50/279235750.db2.gz NRLFWGXAPVNDDA-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152487747 279235752 /nfs/dbraw/zinc/23/57/52/279235752.db2.gz NRLFWGXAPVNDDA-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP CCS[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342793746 280057131 /nfs/dbraw/zinc/05/71/31/280057131.db2.gz JDBCHPAUMZBAEA-IRXDYDNUSA-N 2 2 342.549 3.058 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037113 280255774 /nfs/dbraw/zinc/25/57/74/280255774.db2.gz XEBNBEXUZUBDFJ-JKIFEVAISA-N 2 2 330.451 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037113 280255776 /nfs/dbraw/zinc/25/57/76/280255776.db2.gz XEBNBEXUZUBDFJ-JKIFEVAISA-N 2 2 330.451 3.453 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571502 281209875 /nfs/dbraw/zinc/20/98/75/281209875.db2.gz XJMSHHVCZXWZPM-RCCFBDPRSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571502 281209878 /nfs/dbraw/zinc/20/98/78/281209878.db2.gz XJMSHHVCZXWZPM-RCCFBDPRSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158571502 281209880 /nfs/dbraw/zinc/20/98/80/281209880.db2.gz XJMSHHVCZXWZPM-RCCFBDPRSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158571502 281209882 /nfs/dbraw/zinc/20/98/82/281209882.db2.gz XJMSHHVCZXWZPM-RCCFBDPRSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccccc1[C@@H]([C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1)[NH+](C)C ZINC000357536587 281361360 /nfs/dbraw/zinc/36/13/60/281361360.db2.gz QWAAHVLSTYHGJO-OXQOHEQNSA-N 2 2 339.487 3.489 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000367195313 288379103 /nfs/dbraw/zinc/37/91/03/288379103.db2.gz MMQKVEKJUCXCIU-KRWDZBQOSA-N 2 2 349.544 3.002 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000367195313 288379105 /nfs/dbraw/zinc/37/91/05/288379105.db2.gz MMQKVEKJUCXCIU-KRWDZBQOSA-N 2 2 349.544 3.002 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352853291 289020844 /nfs/dbraw/zinc/02/08/44/289020844.db2.gz NCXDAXMDZSLYDY-GOSISDBHSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352853291 289020846 /nfs/dbraw/zinc/02/08/46/289020846.db2.gz NCXDAXMDZSLYDY-GOSISDBHSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@H](c1ccccc1F)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250292920 290265143 /nfs/dbraw/zinc/26/51/43/290265143.db2.gz VRZWQFIPLRMONL-KZNAEPCWSA-N 2 2 333.495 3.377 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342757768 297261689 /nfs/dbraw/zinc/26/16/89/297261689.db2.gz MMCXBERNPRHDRC-ZTFGCOKTSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156162514 298111436 /nfs/dbraw/zinc/11/14/36/298111436.db2.gz IDVZUKNSQDLOCJ-MKXGPGLRSA-N 2 2 335.536 3.115 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156162514 298111439 /nfs/dbraw/zinc/11/14/39/298111439.db2.gz IDVZUKNSQDLOCJ-MKXGPGLRSA-N 2 2 335.536 3.115 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ncc(Br)s1)CC1CCCC1 ZINC000352526936 303378129 /nfs/dbraw/zinc/37/81/29/303378129.db2.gz UFQUFEMWNAVQLW-UHFFFAOYSA-N 2 2 332.311 3.247 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ncc(Br)s1)CC1CCCC1 ZINC000352526936 303378130 /nfs/dbraw/zinc/37/81/30/303378130.db2.gz UFQUFEMWNAVQLW-UHFFFAOYSA-N 2 2 332.311 3.247 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000062072155 307353511 /nfs/dbraw/zinc/35/35/11/307353511.db2.gz GKYKWRDTQSQPBY-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP COc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000070737532 307376867 /nfs/dbraw/zinc/37/68/67/307376867.db2.gz JQLRYOKKMPWXNQ-UHFFFAOYSA-N 2 2 348.450 3.203 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718224 307381567 /nfs/dbraw/zinc/38/15/67/307381567.db2.gz MNSHGMFECYPJQX-ZWKOTPCHSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718224 307381569 /nfs/dbraw/zinc/38/15/69/307381569.db2.gz MNSHGMFECYPJQX-ZWKOTPCHSA-N 2 2 343.515 3.384 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718404 307381689 /nfs/dbraw/zinc/38/16/89/307381689.db2.gz LJNMTDQGBMTOGS-JKSUJKDBSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718404 307381690 /nfs/dbraw/zinc/38/16/90/307381690.db2.gz LJNMTDQGBMTOGS-JKSUJKDBSA-N 2 2 349.906 3.475 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000414048205 309057673 /nfs/dbraw/zinc/05/76/73/309057673.db2.gz DJLJZXYPYRZDJG-FXAWDEMLSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000414127305 309062462 /nfs/dbraw/zinc/06/24/62/309062462.db2.gz FVBXBKNHCLSSKP-RZQQEMMASA-N 2 2 327.472 3.302 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414300775 309071481 /nfs/dbraw/zinc/07/14/81/309071481.db2.gz MCHFLJJASBFGIG-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP CN(C)c1[nH+]cc(CNc2cccc([NH+]3CCCCCC3)c2)n1C ZINC000414364856 309075507 /nfs/dbraw/zinc/07/55/07/309075507.db2.gz ZEAQBBNGPHUGNC-UHFFFAOYSA-N 2 2 327.476 3.479 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005272 /nfs/dbraw/zinc/00/52/72/308005272.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005273 /nfs/dbraw/zinc/00/52/73/308005273.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005275 /nfs/dbraw/zinc/00/52/75/308005275.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547228 308005277 /nfs/dbraw/zinc/00/52/77/308005277.db2.gz GAYHQLPOQVPIQG-YYWHXJBOSA-N 3 2 329.532 3.217 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000248778047 308011490 /nfs/dbraw/zinc/01/14/90/308011490.db2.gz BLAUMPRBHVNATO-STZQEDGTSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000248778047 308011492 /nfs/dbraw/zinc/01/14/92/308011492.db2.gz BLAUMPRBHVNATO-STZQEDGTSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1occc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000414419065 309079069 /nfs/dbraw/zinc/07/90/69/309079069.db2.gz ZLCIBQJFSKDINE-UHFFFAOYSA-N 3 2 333.520 3.216 20 0 EGADLP Cc1occc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000414419065 309079070 /nfs/dbraw/zinc/07/90/70/309079070.db2.gz ZLCIBQJFSKDINE-UHFFFAOYSA-N 3 2 333.520 3.216 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000252644195 308032527 /nfs/dbraw/zinc/03/25/27/308032527.db2.gz NOJPYPYBAAOVQK-BHIYHBOVSA-N 2 2 327.472 3.135 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000252644195 308032528 /nfs/dbraw/zinc/03/25/28/308032528.db2.gz NOJPYPYBAAOVQK-BHIYHBOVSA-N 2 2 327.472 3.135 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000414443957 309080473 /nfs/dbraw/zinc/08/04/73/309080473.db2.gz JUIMYBAGAVTVCF-UHFFFAOYSA-N 2 2 330.451 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000414443957 309080474 /nfs/dbraw/zinc/08/04/74/309080474.db2.gz JUIMYBAGAVTVCF-UHFFFAOYSA-N 2 2 330.451 3.238 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@H](O)C(C)C)cc1 ZINC000292977009 308086268 /nfs/dbraw/zinc/08/62/68/308086268.db2.gz QQMLEWVVEISULK-FQEVSTJZSA-N 2 2 345.487 3.191 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H](O)C(C)C)cc1 ZINC000292977009 308086269 /nfs/dbraw/zinc/08/62/69/308086269.db2.gz QQMLEWVVEISULK-FQEVSTJZSA-N 2 2 345.487 3.191 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085507 308097783 /nfs/dbraw/zinc/09/77/83/308097783.db2.gz WNKLNVPZPNLESP-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085507 308097784 /nfs/dbraw/zinc/09/77/84/308097784.db2.gz WNKLNVPZPNLESP-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085507 308097785 /nfs/dbraw/zinc/09/77/85/308097785.db2.gz WNKLNVPZPNLESP-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085507 308097786 /nfs/dbraw/zinc/09/77/86/308097786.db2.gz WNKLNVPZPNLESP-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000293262725 308115004 /nfs/dbraw/zinc/11/50/04/308115004.db2.gz CCMBDPRCFYFMFP-UHFFFAOYSA-N 2 2 328.460 3.085 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000295257423 308308200 /nfs/dbraw/zinc/30/82/00/308308200.db2.gz UWIDHGQRYWBFMM-UHFFFAOYSA-N 2 2 341.503 3.272 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2[nH+]ccn2CC)cc1 ZINC000295755238 308356825 /nfs/dbraw/zinc/35/68/25/308356825.db2.gz NSQORRKEZVEANC-UHFFFAOYSA-N 2 2 328.460 3.065 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2[nH+]ccn2CC)cc1 ZINC000295755238 308356827 /nfs/dbraw/zinc/35/68/27/308356827.db2.gz NSQORRKEZVEANC-UHFFFAOYSA-N 2 2 328.460 3.065 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1F ZINC000295859086 308368023 /nfs/dbraw/zinc/36/80/23/308368023.db2.gz GLASQTODZOOHBZ-LRDDRELGSA-N 2 2 325.391 3.312 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000295944815 308377467 /nfs/dbraw/zinc/37/74/67/308377467.db2.gz LBTQJEXTQGSDMV-MOPGFXCFSA-N 2 2 330.497 3.208 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000295944815 308377468 /nfs/dbraw/zinc/37/74/68/308377468.db2.gz LBTQJEXTQGSDMV-MOPGFXCFSA-N 2 2 330.497 3.208 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663975 309094379 /nfs/dbraw/zinc/09/43/79/309094379.db2.gz SMYIMNBNBLWJNJ-TZMCWYRMSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663975 309094380 /nfs/dbraw/zinc/09/43/80/309094380.db2.gz SMYIMNBNBLWJNJ-TZMCWYRMSA-N 2 2 346.393 3.196 20 0 EGADLP [NH3+]CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000414749460 309098706 /nfs/dbraw/zinc/09/87/06/309098706.db2.gz QBSHAIRPLDWKHD-CQSZACIVSA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000414749460 309098707 /nfs/dbraw/zinc/09/87/07/309098707.db2.gz QBSHAIRPLDWKHD-CQSZACIVSA-N 2 2 330.259 3.135 20 0 EGADLP Cc1ccc(C[N@H+](CCC[NH3+])C[C@H]2CCCO2)c(Br)c1 ZINC000414764485 309099324 /nfs/dbraw/zinc/09/93/24/309099324.db2.gz YNBCKMXHHSEVIU-OAHLLOKOSA-N 2 2 341.293 3.087 20 0 EGADLP Cc1ccc(C[N@@H+](CCC[NH3+])C[C@H]2CCCO2)c(Br)c1 ZINC000414764485 309099325 /nfs/dbraw/zinc/09/93/25/309099325.db2.gz YNBCKMXHHSEVIU-OAHLLOKOSA-N 2 2 341.293 3.087 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC12CCOCC2 ZINC000414792759 309101702 /nfs/dbraw/zinc/10/17/02/309101702.db2.gz SEVLHFYEGBGLTO-AWEZNQCLSA-N 2 2 349.525 3.059 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC12CCOCC2 ZINC000414792759 309101703 /nfs/dbraw/zinc/10/17/03/309101703.db2.gz SEVLHFYEGBGLTO-AWEZNQCLSA-N 2 2 349.525 3.059 20 0 EGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000414813231 309103178 /nfs/dbraw/zinc/10/31/78/309103178.db2.gz SWMJTVJBDWDPME-UHFFFAOYSA-N 2 2 343.471 3.276 20 0 EGADLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301300980 308695603 /nfs/dbraw/zinc/69/56/03/308695603.db2.gz XOJXOYAGGNNZEL-UHFFFAOYSA-N 2 2 340.402 3.301 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)ccc1-n1cncn1 ZINC000414843130 309104942 /nfs/dbraw/zinc/10/49/42/309104942.db2.gz JLJISZNFSLYWFQ-HXUWFJFHSA-N 2 2 349.482 3.489 20 0 EGADLP Brc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Br ZINC000414845718 309105148 /nfs/dbraw/zinc/10/51/48/309105148.db2.gz MLBVARVYLWOHRY-JTQLQIEISA-N 2 2 348.082 3.053 20 0 EGADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1)c1ccccc1Cl ZINC000414847381 309105317 /nfs/dbraw/zinc/10/53/17/309105317.db2.gz OODJNZDMHBRORN-INIZCTEOSA-N 2 2 343.858 3.434 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C)c(Br)s2)[C@H](C)C1 ZINC000449400964 310059057 /nfs/dbraw/zinc/05/90/57/310059057.db2.gz KRVPLHAYFOQUIA-KOLCDFICSA-N 2 2 332.311 3.034 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C)c(Br)s2)[C@H](C)C1 ZINC000449400964 310059058 /nfs/dbraw/zinc/05/90/58/310059058.db2.gz KRVPLHAYFOQUIA-KOLCDFICSA-N 2 2 332.311 3.034 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cn1 ZINC000332410681 308836727 /nfs/dbraw/zinc/83/67/27/308836727.db2.gz JQNJWNYTRSJVDF-WBAXXEDZSA-N 2 2 332.423 3.161 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000409449101 308909007 /nfs/dbraw/zinc/90/90/07/308909007.db2.gz IJRVDINFPMQVID-GOSISDBHSA-N 2 2 329.488 3.394 20 0 EGADLP Cc1ccc([C@@H](CNc2cc(NC3CC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000413114108 309016747 /nfs/dbraw/zinc/01/67/47/309016747.db2.gz SNVQIDGCOYYCRB-OAHLLOKOSA-N 2 2 327.432 3.201 20 0 EGADLP C[N@H+](CCCCNc1[nH+]cnc2c1cnn2-c1ccccc1)C1CC1 ZINC000413347820 309028166 /nfs/dbraw/zinc/02/81/66/309028166.db2.gz LYZHUQHPWVHTTM-UHFFFAOYSA-N 2 2 336.443 3.102 20 0 EGADLP C[N@@H+](CCCCNc1[nH+]cnc2c1cnn2-c1ccccc1)C1CC1 ZINC000413347820 309028167 /nfs/dbraw/zinc/02/81/67/309028167.db2.gz LYZHUQHPWVHTTM-UHFFFAOYSA-N 2 2 336.443 3.102 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414869873 309106367 /nfs/dbraw/zinc/10/63/67/309106367.db2.gz RULQBHADEKJIFL-HNNXBMFYSA-N 2 2 332.469 3.177 20 0 EGADLP c1c(C[NH2+][C@@H]2CCC[NH2+]C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000414871661 309106568 /nfs/dbraw/zinc/10/65/68/309106568.db2.gz VBLYNYVBCMWDTH-LJQANCHMSA-N 2 2 332.451 3.381 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414892696 309107718 /nfs/dbraw/zinc/10/77/18/309107718.db2.gz YBLOXSZSOCGNIN-NRFANRHFSA-N 2 2 346.478 3.358 20 0 EGADLP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414948929 309110995 /nfs/dbraw/zinc/11/09/95/309110995.db2.gz MXBYFGNKIODOAH-LPHOPBHVSA-N 2 2 332.394 3.209 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Br ZINC000415041258 309116097 /nfs/dbraw/zinc/11/60/97/309116097.db2.gz LGIBWTSJVSUCQT-WMLDXEAASA-N 2 2 349.247 3.433 20 0 EGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000415081101 309118904 /nfs/dbraw/zinc/11/89/04/309118904.db2.gz KAFVMBIQVNPGEC-UYAOXDASSA-N 3 2 340.515 3.374 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C(=O)N1c1ccccc1 ZINC000415100769 309120432 /nfs/dbraw/zinc/12/04/32/309120432.db2.gz HZVPMBBCUMOXRV-LMQGHGSNSA-N 2 2 349.478 3.263 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415162405 309124227 /nfs/dbraw/zinc/12/42/27/309124227.db2.gz AMXYPAMLILRELI-ZIAGYGMSSA-N 2 2 326.400 3.075 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C[NH2+]1 ZINC000415186581 309125449 /nfs/dbraw/zinc/12/54/49/309125449.db2.gz NJKDOJFCHHPASV-KGLIPLIRSA-N 2 2 326.400 3.088 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415190995 309125695 /nfs/dbraw/zinc/12/56/95/309125695.db2.gz VHGPDJLZAGHVAN-KBPBESRZSA-N 2 2 326.400 3.075 20 0 EGADLP [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415194021 309125862 /nfs/dbraw/zinc/12/58/62/309125862.db2.gz ZLBHCARYKDKIPA-ZFWWWQNUSA-N 2 2 326.400 3.123 20 0 EGADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415194020 309125890 /nfs/dbraw/zinc/12/58/90/309125890.db2.gz ZLBHCARYKDKIPA-UKRRQHHQSA-N 2 2 326.400 3.123 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000415932151 309149527 /nfs/dbraw/zinc/14/95/27/309149527.db2.gz MKDSDKJZPVOFMO-UHFFFAOYSA-N 2 2 337.427 3.074 20 0 EGADLP C[NH2+]Cc1ccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000415969308 309151938 /nfs/dbraw/zinc/15/19/38/309151938.db2.gz FUOLFGWPKLHJSO-UHFFFAOYSA-N 2 2 342.443 3.090 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416011644 309154562 /nfs/dbraw/zinc/15/45/62/309154562.db2.gz PVQINYWBHOZYQI-UHFFFAOYSA-N 2 2 343.475 3.109 20 0 EGADLP CC[N@@H+](Cc1cc(C)nn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417817780 309223783 /nfs/dbraw/zinc/22/37/83/309223783.db2.gz VIWJVUFCLUCBTD-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cc(C)nn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417817780 309223784 /nfs/dbraw/zinc/22/37/84/309223784.db2.gz VIWJVUFCLUCBTD-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)nn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417817780 309223785 /nfs/dbraw/zinc/22/37/85/309223785.db2.gz VIWJVUFCLUCBTD-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)nn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417817780 309223786 /nfs/dbraw/zinc/22/37/86/309223786.db2.gz VIWJVUFCLUCBTD-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2cc[nH+]c3ccccc32)C1 ZINC000418939597 309258653 /nfs/dbraw/zinc/25/86/53/309258653.db2.gz FWRWSFQHDFKCBZ-FQEVSTJZSA-N 2 2 341.455 3.135 20 0 EGADLP CC[N@H+](CCOCC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000419202814 309261227 /nfs/dbraw/zinc/26/12/27/309261227.db2.gz DWPJHKQNSHJFPX-UHFFFAOYSA-N 2 2 331.504 3.437 20 0 EGADLP CC[N@@H+](CCOCC1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000419202814 309261228 /nfs/dbraw/zinc/26/12/28/309261228.db2.gz DWPJHKQNSHJFPX-UHFFFAOYSA-N 2 2 331.504 3.437 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419295252 309263476 /nfs/dbraw/zinc/26/34/76/309263476.db2.gz QGUHUFQEYBNWCU-HNNXBMFYSA-N 2 2 329.488 3.183 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000420297231 309279929 /nfs/dbraw/zinc/27/99/29/309279929.db2.gz YHJRKOPBVGOONB-CZUORRHYSA-N 2 2 332.448 3.111 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000420297231 309279930 /nfs/dbraw/zinc/27/99/30/309279930.db2.gz YHJRKOPBVGOONB-CZUORRHYSA-N 2 2 332.448 3.111 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000420305695 309280804 /nfs/dbraw/zinc/28/08/04/309280804.db2.gz PXKNWTJPTMQJKL-AWEZNQCLSA-N 2 2 332.394 3.074 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000420305695 309280805 /nfs/dbraw/zinc/28/08/05/309280805.db2.gz PXKNWTJPTMQJKL-AWEZNQCLSA-N 2 2 332.394 3.074 20 0 EGADLP CCC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC[NH2+]CC1 ZINC000420309836 309280983 /nfs/dbraw/zinc/28/09/83/309280983.db2.gz FIXTUULDJBTLMZ-UHFFFAOYSA-N 2 2 340.427 3.046 20 0 EGADLP CCC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C1CC[NH2+]CC1 ZINC000420309836 309280984 /nfs/dbraw/zinc/28/09/84/309280984.db2.gz FIXTUULDJBTLMZ-UHFFFAOYSA-N 2 2 340.427 3.046 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420313022 309281162 /nfs/dbraw/zinc/28/11/62/309281162.db2.gz TVCHKINPAAZYDC-HNNXBMFYSA-N 2 2 339.439 3.277 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000420312754 309281324 /nfs/dbraw/zinc/28/13/24/309281324.db2.gz XDKACWKXUXLFJU-YJLNNSPDSA-N 2 2 346.496 3.261 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1 ZINC000420312754 309281325 /nfs/dbraw/zinc/28/13/25/309281325.db2.gz XDKACWKXUXLFJU-YJLNNSPDSA-N 2 2 346.496 3.261 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000420328178 309282572 /nfs/dbraw/zinc/28/25/72/309282572.db2.gz DXYZLAMAPOYWKI-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000420328178 309282573 /nfs/dbraw/zinc/28/25/73/309282573.db2.gz DXYZLAMAPOYWKI-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)c1 ZINC000420353352 309283725 /nfs/dbraw/zinc/28/37/25/309283725.db2.gz BTZINMPXHOFMFQ-HNNXBMFYSA-N 2 2 347.484 3.060 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccccc1 ZINC000420359969 309284063 /nfs/dbraw/zinc/28/40/63/309284063.db2.gz GMEZMZKHTDDXTH-RFXPCRSYSA-N 2 2 331.504 3.009 20 0 EGADLP Cc1ccc([C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)C2CC2)cc1 ZINC000420359656 309284108 /nfs/dbraw/zinc/28/41/08/309284108.db2.gz GHZIBZVUJGVPRO-TZIWHRDSSA-N 2 2 343.515 3.060 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420361648 309284127 /nfs/dbraw/zinc/28/41/27/309284127.db2.gz MHKBBPJJSJDYLE-MRXNPFEDSA-N 2 2 330.428 3.087 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420363309 309284312 /nfs/dbraw/zinc/28/43/12/309284312.db2.gz JJOIBYVAPAZGLC-IRXDYDNUSA-N 2 2 349.544 3.081 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392082 309285922 /nfs/dbraw/zinc/28/59/22/309285922.db2.gz IXYSDMHBSVSNEG-YOEHRIQHSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392082 309285923 /nfs/dbraw/zinc/28/59/23/309285923.db2.gz IXYSDMHBSVSNEG-YOEHRIQHSA-N 2 2 335.879 3.051 20 0 EGADLP C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420419288 309287194 /nfs/dbraw/zinc/28/71/94/309287194.db2.gz XMGYQTYXTNVRDD-KPFFTGBYSA-N 2 2 337.467 3.283 20 0 EGADLP C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420419288 309287195 /nfs/dbraw/zinc/28/71/95/309287195.db2.gz XMGYQTYXTNVRDD-KPFFTGBYSA-N 2 2 337.467 3.283 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000420824887 309296803 /nfs/dbraw/zinc/29/68/03/309296803.db2.gz RHEYOLVBVODJAF-CQSZACIVSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000420824887 309296804 /nfs/dbraw/zinc/29/68/04/309296804.db2.gz RHEYOLVBVODJAF-CQSZACIVSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420924825 309301417 /nfs/dbraw/zinc/30/14/17/309301417.db2.gz UPIOVXHSBFRPKY-HNNXBMFYSA-N 2 2 331.485 3.135 20 0 EGADLP CS[C@H]1CCCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420943404 309303009 /nfs/dbraw/zinc/30/30/09/309303009.db2.gz WLAXAKCRSCIYQF-IBGZPJMESA-N 2 2 334.529 3.236 20 0 EGADLP CS[C@H]1CCCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420943404 309303010 /nfs/dbraw/zinc/30/30/10/309303010.db2.gz WLAXAKCRSCIYQF-IBGZPJMESA-N 2 2 334.529 3.236 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1c(F)cncc1F ZINC000420965858 309304918 /nfs/dbraw/zinc/30/49/18/309304918.db2.gz QFCRPOMOYPISLT-AWEZNQCLSA-N 2 2 347.409 3.043 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000420979247 309305834 /nfs/dbraw/zinc/30/58/34/309305834.db2.gz VJHCOSSTVNVUTR-FQEVSTJZSA-N 2 2 346.540 3.238 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000420979247 309305835 /nfs/dbraw/zinc/30/58/35/309305835.db2.gz VJHCOSSTVNVUTR-FQEVSTJZSA-N 2 2 346.540 3.238 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000421375020 309321444 /nfs/dbraw/zinc/32/14/44/309321444.db2.gz OJLMEKCQLAUUSR-HXUWFJFHSA-N 2 2 328.431 3.141 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000421375020 309321445 /nfs/dbraw/zinc/32/14/45/309321445.db2.gz OJLMEKCQLAUUSR-HXUWFJFHSA-N 2 2 328.431 3.141 20 0 EGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000421829057 309341944 /nfs/dbraw/zinc/34/19/44/309341944.db2.gz GQFWNWIFRXNIGU-HOCLYGCPSA-N 2 2 340.895 3.092 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1Cl ZINC000421831274 309342206 /nfs/dbraw/zinc/34/22/06/309342206.db2.gz DRDBPHFVKLHQEF-HIFRSBDPSA-N 2 2 345.878 3.443 20 0 EGADLP CCC[C@@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018871 309351323 /nfs/dbraw/zinc/35/13/23/309351323.db2.gz LDARJDZOIPIFGG-UYAOXDASSA-N 2 2 349.563 3.221 20 0 EGADLP CCC[C@@H]1CCC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018871 309351324 /nfs/dbraw/zinc/35/13/24/309351324.db2.gz LDARJDZOIPIFGG-UYAOXDASSA-N 2 2 349.563 3.221 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715353 309364610 /nfs/dbraw/zinc/36/46/10/309364610.db2.gz JDZOECJSSVWPRO-QHAWAJNXSA-N 3 2 345.506 3.300 20 0 EGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422719869 309364957 /nfs/dbraw/zinc/36/49/57/309364957.db2.gz YQJVOXBIUJDBNR-ZWKOTPCHSA-N 2 2 327.403 3.047 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000422727922 309365320 /nfs/dbraw/zinc/36/53/20/309365320.db2.gz DTUXKKXYQNJZKB-WTNAPCKOSA-N 2 2 339.527 3.400 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422747691 309366457 /nfs/dbraw/zinc/36/64/57/309366457.db2.gz ZJYSYWPZAOJDPX-JXFKEZNVSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422747691 309366458 /nfs/dbraw/zinc/36/64/58/309366458.db2.gz ZJYSYWPZAOJDPX-JXFKEZNVSA-N 3 2 338.499 3.164 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)oc21 ZINC000422790369 309368406 /nfs/dbraw/zinc/36/84/06/309368406.db2.gz TYCIRVRSFCTGDM-OFQRWUPVSA-N 2 2 332.444 3.249 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422798274 309368978 /nfs/dbraw/zinc/36/89/78/309368978.db2.gz QLBROEQBPKLXMY-VAMGGRTRSA-N 2 2 333.520 3.328 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422805087 309369401 /nfs/dbraw/zinc/36/94/01/309369401.db2.gz GEYIVGHEKSTPQM-XJKSGUPXSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000422870142 309372811 /nfs/dbraw/zinc/37/28/11/309372811.db2.gz BDNJJHYQKYBADL-XPGWFJOJSA-N 2 2 328.431 3.272 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422868662 309372836 /nfs/dbraw/zinc/37/28/36/309372836.db2.gz VHMFYQZNRRLWMK-OALUTQOASA-N 2 2 326.440 3.255 20 0 EGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422945497 309377563 /nfs/dbraw/zinc/37/75/63/309377563.db2.gz NGRQWEKZRPEOPL-QWRGUYRKSA-N 2 2 335.192 3.020 20 0 EGADLP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCC[NH2+]1 ZINC000422955576 309378037 /nfs/dbraw/zinc/37/80/37/309378037.db2.gz JPUINWJYQIXGDT-DOMZBBRYSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000422958691 309378233 /nfs/dbraw/zinc/37/82/33/309378233.db2.gz YRTHTAOEYSGJMJ-NEPJUHHUSA-N 2 2 329.271 3.339 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000423060883 309383701 /nfs/dbraw/zinc/38/37/01/309383701.db2.gz PPJRFWONZOGUAI-XPIZARPCSA-N 3 2 340.515 3.499 20 0 EGADLP Fc1cc(F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000423134341 309387523 /nfs/dbraw/zinc/38/75/23/309387523.db2.gz LZMSNEAKYJWZOL-HKUYNNGSSA-N 2 2 348.368 3.449 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142733 309388176 /nfs/dbraw/zinc/38/81/76/309388176.db2.gz VRLYTEUUSZSCPS-GIVPXCGWSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142733 309388177 /nfs/dbraw/zinc/38/81/77/309388177.db2.gz VRLYTEUUSZSCPS-GIVPXCGWSA-N 3 2 329.532 3.409 20 0 EGADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423248522 309392227 /nfs/dbraw/zinc/39/22/27/309392227.db2.gz QXAWJJBIKOXIPP-INIZCTEOSA-N 2 2 338.455 3.173 20 0 EGADLP [NH3+][C@H](C[NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000423247234 309392233 /nfs/dbraw/zinc/39/22/33/309392233.db2.gz QJNSGKUDMIGNAY-GOSISDBHSA-N 2 2 331.410 3.223 20 0 EGADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423284869 309393998 /nfs/dbraw/zinc/39/39/98/309393998.db2.gz XHQUGUDZBRZDNN-QGZVFWFLSA-N 2 2 345.531 3.328 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423306022 309394614 /nfs/dbraw/zinc/39/46/14/309394614.db2.gz DEXYEXXRLQPMLK-AWEZNQCLSA-N 2 2 327.266 3.252 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000423328566 309395555 /nfs/dbraw/zinc/39/55/55/309395555.db2.gz KWBLVGNKGCZLIN-AABGKKOBSA-N 2 2 325.456 3.277 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423335201 309395746 /nfs/dbraw/zinc/39/57/46/309395746.db2.gz PRQSGEYHQDMXOP-BEVDRBHNSA-N 2 2 339.483 3.449 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423339249 309396040 /nfs/dbraw/zinc/39/60/40/309396040.db2.gz SETHBQWLSKXBBB-INIZCTEOSA-N 2 2 345.512 3.322 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C12CCC2 ZINC000423336635 309396075 /nfs/dbraw/zinc/39/60/75/309396075.db2.gz QNQJXNUEFLLXNR-ZGXWSNOMSA-N 2 2 344.499 3.078 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393335 309398410 /nfs/dbraw/zinc/39/84/10/309398410.db2.gz QZJCXERMRBSQRH-QFBILLFUSA-N 3 2 333.520 3.056 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423399415 309398562 /nfs/dbraw/zinc/39/85/62/309398562.db2.gz PMEPGCJKRCMBJQ-HNAYVOBHSA-N 2 2 327.472 3.076 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CCC[NH2+]1 ZINC000423419846 309399710 /nfs/dbraw/zinc/39/97/10/309399710.db2.gz WLVPJGGGKVMFTQ-HOCLYGCPSA-N 2 2 329.271 3.339 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]1 ZINC000423420280 309399727 /nfs/dbraw/zinc/39/97/27/309399727.db2.gz JEKGSIBUGCAYRQ-HOCLYGCPSA-N 2 2 329.271 3.339 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)nc1 ZINC000423452031 309400857 /nfs/dbraw/zinc/40/08/57/309400857.db2.gz VTQVWMOUPVABBU-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423499586 309403144 /nfs/dbraw/zinc/40/31/44/309403144.db2.gz CDRXXHNXWMRQDN-MDASCCDHSA-N 2 2 327.447 3.298 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cnn1C(C)(C)C ZINC000423509324 309403639 /nfs/dbraw/zinc/40/36/39/309403639.db2.gz JMBRPIJROFZJSH-MDASCCDHSA-N 2 2 326.488 3.353 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000423818418 309414490 /nfs/dbraw/zinc/41/44/90/309414490.db2.gz ZZPHQISMWVHWJX-MRXNPFEDSA-N 2 2 334.423 3.132 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)CC[C@H]([NH3+])CC3CCCCC3)cn2c1 ZINC000424140738 309430506 /nfs/dbraw/zinc/43/05/06/309430506.db2.gz WQVNPPQUMURKIC-KRWDZBQOSA-N 2 2 342.487 3.337 20 0 EGADLP CN(CC[NH+](C)C)c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443507330 309902233 /nfs/dbraw/zinc/90/22/33/309902233.db2.gz GMSGLORXQCSKNI-UHFFFAOYSA-N 2 2 326.213 3.134 20 0 EGADLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449021350 310029780 /nfs/dbraw/zinc/02/97/80/310029780.db2.gz SVMGAXIEVAZMRF-UHFFFAOYSA-N 2 2 339.418 3.260 20 0 EGADLP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024142 310030353 /nfs/dbraw/zinc/03/03/53/310030353.db2.gz YJGDUHVCCVBYKV-JKSUJKDBSA-N 2 2 338.442 3.113 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024142 310030354 /nfs/dbraw/zinc/03/03/54/310030354.db2.gz YJGDUHVCCVBYKV-JKSUJKDBSA-N 2 2 338.442 3.113 20 0 EGADLP CC[N@@H+](Cc1ccncc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449027075 310030665 /nfs/dbraw/zinc/03/06/65/310030665.db2.gz HRTUTBMHLOUQJE-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP CC[N@H+](Cc1ccncc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000449027075 310030666 /nfs/dbraw/zinc/03/06/66/310030666.db2.gz HRTUTBMHLOUQJE-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449071605 310034738 /nfs/dbraw/zinc/03/47/38/310034738.db2.gz BODJWWVJVSJWFK-GFCCVEGCSA-N 2 2 345.244 3.372 20 0 EGADLP CSCC1CCC([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212829 310045003 /nfs/dbraw/zinc/04/50/03/310045003.db2.gz VNBLEKYHVPXCDD-NTFDOXNWSA-N 2 2 348.556 3.133 20 0 EGADLP CSCC1CCC([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212829 310045004 /nfs/dbraw/zinc/04/50/04/310045004.db2.gz VNBLEKYHVPXCDD-NTFDOXNWSA-N 2 2 348.556 3.133 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385440 310058044 /nfs/dbraw/zinc/05/80/44/310058044.db2.gz FNJSWTUJXZDCNN-CBBWQLFWSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385440 310058045 /nfs/dbraw/zinc/05/80/45/310058045.db2.gz FNJSWTUJXZDCNN-CBBWQLFWSA-N 2 2 342.936 3.330 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000449395419 310058678 /nfs/dbraw/zinc/05/86/78/310058678.db2.gz IWGDMQGXXJHZMD-KVSKMBFKSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000449395419 310058679 /nfs/dbraw/zinc/05/86/79/310058679.db2.gz IWGDMQGXXJHZMD-KVSKMBFKSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000449397594 310058733 /nfs/dbraw/zinc/05/87/33/310058733.db2.gz QWHYRGPBSCYOJJ-FHWLQOOXSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000449397594 310058734 /nfs/dbraw/zinc/05/87/34/310058734.db2.gz QWHYRGPBSCYOJJ-FHWLQOOXSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)C1 ZINC000449503949 310067562 /nfs/dbraw/zinc/06/75/62/310067562.db2.gz IOEPRSJWLIYSHP-PSOYPTMXSA-N 2 2 328.500 3.209 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)C1 ZINC000449503949 310067563 /nfs/dbraw/zinc/06/75/63/310067563.db2.gz IOEPRSJWLIYSHP-PSOYPTMXSA-N 2 2 328.500 3.209 20 0 EGADLP COc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449751120 310084236 /nfs/dbraw/zinc/08/42/36/310084236.db2.gz XQDCISWMHKIOJX-WMZOPIPTSA-N 2 2 325.456 3.233 20 0 EGADLP COc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449751120 310084237 /nfs/dbraw/zinc/08/42/37/310084237.db2.gz XQDCISWMHKIOJX-WMZOPIPTSA-N 2 2 325.456 3.233 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc21 ZINC000449776165 310086393 /nfs/dbraw/zinc/08/63/93/310086393.db2.gz NVDAQBYVMAMUOU-NEPJUHHUSA-N 2 2 349.276 3.042 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)nc21 ZINC000449776165 310086394 /nfs/dbraw/zinc/08/63/94/310086394.db2.gz NVDAQBYVMAMUOU-NEPJUHHUSA-N 2 2 349.276 3.042 20 0 EGADLP C[N@H+](Cc1cc(O)cc(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786701 310087228 /nfs/dbraw/zinc/08/72/28/310087228.db2.gz PQJGXIPAOWZIFI-UHFFFAOYSA-N 2 2 334.357 3.380 20 0 EGADLP C[N@@H+](Cc1cc(O)cc(F)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786701 310087229 /nfs/dbraw/zinc/08/72/29/310087229.db2.gz PQJGXIPAOWZIFI-UHFFFAOYSA-N 2 2 334.357 3.380 20 0 EGADLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)C[C@@H]21 ZINC000450777427 310142217 /nfs/dbraw/zinc/14/22/17/310142217.db2.gz JIXVKLMMYJBLLN-ABAIWWIYSA-N 2 2 332.245 3.138 20 0 EGADLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)C[C@@H]21 ZINC000450777427 310142218 /nfs/dbraw/zinc/14/22/18/310142218.db2.gz JIXVKLMMYJBLLN-ABAIWWIYSA-N 2 2 332.245 3.138 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646046 310190990 /nfs/dbraw/zinc/19/09/90/310190990.db2.gz CZIQRKXMXHUDQH-VQTJNVASSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646046 310190991 /nfs/dbraw/zinc/19/09/91/310190991.db2.gz CZIQRKXMXHUDQH-VQTJNVASSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646046 310190992 /nfs/dbraw/zinc/19/09/92/310190992.db2.gz CZIQRKXMXHUDQH-VQTJNVASSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646046 310190993 /nfs/dbraw/zinc/19/09/93/310190993.db2.gz CZIQRKXMXHUDQH-VQTJNVASSA-N 2 2 346.540 3.105 20 0 EGADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332613 310223705 /nfs/dbraw/zinc/22/37/05/310223705.db2.gz HSCPLVWUMKXKLH-UHFFFAOYSA-N 2 2 338.411 3.280 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000453056036 310254730 /nfs/dbraw/zinc/25/47/30/310254730.db2.gz KOCGQNKAFUCZLD-HKBOAZHASA-N 3 2 338.499 3.306 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000453056036 310254731 /nfs/dbraw/zinc/25/47/31/310254731.db2.gz KOCGQNKAFUCZLD-HKBOAZHASA-N 3 2 338.499 3.306 20 0 EGADLP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000453069436 310255743 /nfs/dbraw/zinc/25/57/43/310255743.db2.gz ZOEZNJBHMCAOGI-GOSISDBHSA-N 2 2 338.499 3.442 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106582 310258273 /nfs/dbraw/zinc/25/82/73/310258273.db2.gz HEDQVFHMKACUMZ-MSOLQXFVSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106582 310258274 /nfs/dbraw/zinc/25/82/74/310258274.db2.gz HEDQVFHMKACUMZ-MSOLQXFVSA-N 2 2 349.906 3.111 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453227092 310265230 /nfs/dbraw/zinc/26/52/30/310265230.db2.gz AORWNDSAMXCPHI-QRWLVFNGSA-N 2 2 339.414 3.266 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250885 310266587 /nfs/dbraw/zinc/26/65/87/310266587.db2.gz HOVNAIWUQREJNQ-XJKSGUPXSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250885 310266588 /nfs/dbraw/zinc/26/65/88/310266588.db2.gz HOVNAIWUQREJNQ-XJKSGUPXSA-N 2 2 330.394 3.203 20 0 EGADLP COCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453321936 310270953 /nfs/dbraw/zinc/27/09/53/310270953.db2.gz HYJKVTMUJHMKHX-MRXNPFEDSA-N 2 2 347.503 3.014 20 0 EGADLP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@]4(CCSC4)C3)CC2)nc1 ZINC000453357641 310272723 /nfs/dbraw/zinc/27/27/23/310272723.db2.gz LFVOXUQDLPZZRD-LJQANCHMSA-N 2 2 331.529 3.265 20 0 EGADLP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@]4(CCSC4)C3)CC2)nc1 ZINC000453357641 310272724 /nfs/dbraw/zinc/27/27/24/310272724.db2.gz LFVOXUQDLPZZRD-LJQANCHMSA-N 2 2 331.529 3.265 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000453590197 310283243 /nfs/dbraw/zinc/28/32/43/310283243.db2.gz AYMWJHCFBYBFTM-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000453590197 310283244 /nfs/dbraw/zinc/28/32/44/310283244.db2.gz AYMWJHCFBYBFTM-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590197 310283245 /nfs/dbraw/zinc/28/32/45/310283245.db2.gz AYMWJHCFBYBFTM-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590197 310283246 /nfs/dbraw/zinc/28/32/46/310283246.db2.gz AYMWJHCFBYBFTM-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000454488257 310312366 /nfs/dbraw/zinc/31/23/66/310312366.db2.gz PXMWWBHSJDWKCE-QGZVFWFLSA-N 2 2 346.519 3.398 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000454488257 310312367 /nfs/dbraw/zinc/31/23/67/310312367.db2.gz PXMWWBHSJDWKCE-QGZVFWFLSA-N 2 2 346.519 3.398 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC000455475021 310362685 /nfs/dbraw/zinc/36/26/85/310362685.db2.gz KMKQKOKJKCMXAJ-ZENOOKHLSA-N 2 2 332.492 3.495 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC000455475021 310362686 /nfs/dbraw/zinc/36/26/86/310362686.db2.gz KMKQKOKJKCMXAJ-ZENOOKHLSA-N 2 2 332.492 3.495 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000456415920 310405289 /nfs/dbraw/zinc/40/52/89/310405289.db2.gz JOEVECBXDOHJTM-YOEHRIQHSA-N 2 2 326.444 3.161 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459544625 310559739 /nfs/dbraw/zinc/55/97/39/310559739.db2.gz DTGWKIFPHWBFKQ-UHFFFAOYSA-N 2 2 344.377 3.310 20 0 EGADLP Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1C[NH+](C)C ZINC000459736004 310571923 /nfs/dbraw/zinc/57/19/23/310571923.db2.gz FYJTUUFYKVEMNI-UHFFFAOYSA-N 2 2 326.366 3.428 20 0 EGADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC1CCCC1 ZINC000463238671 310610412 /nfs/dbraw/zinc/61/04/12/310610412.db2.gz XDMOXJVSJWTDAQ-OAHLLOKOSA-N 2 2 336.442 3.182 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488929 311025782 /nfs/dbraw/zinc/02/57/82/311025782.db2.gz TYXOIACSHDKXDW-RHSMWYFYSA-N 2 2 325.412 3.319 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488929 311025783 /nfs/dbraw/zinc/02/57/83/311025783.db2.gz TYXOIACSHDKXDW-RHSMWYFYSA-N 2 2 325.412 3.319 20 0 EGADLP COc1cccc2c(N3CC[N@@H+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)cc[nH+]c12 ZINC000488723204 311076699 /nfs/dbraw/zinc/07/66/99/311076699.db2.gz WLUHDVGQLDQXMQ-RVKKMQEKSA-N 2 2 325.456 3.410 20 0 EGADLP COc1cccc2c(N3CC[N@H+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)cc[nH+]c12 ZINC000488723204 311076701 /nfs/dbraw/zinc/07/67/01/311076701.db2.gz WLUHDVGQLDQXMQ-RVKKMQEKSA-N 2 2 325.456 3.410 20 0 EGADLP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494415554 311475960 /nfs/dbraw/zinc/47/59/60/311475960.db2.gz ZAPGMDSYKDGSCM-GFCCVEGCSA-N 2 2 327.762 3.243 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494413935 311475968 /nfs/dbraw/zinc/47/59/68/311475968.db2.gz VFZZYHCQTFUOPW-CYBMUJFWSA-N 2 2 335.835 3.048 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Br)cs1 ZINC000494787243 311511639 /nfs/dbraw/zinc/51/16/39/311511639.db2.gz ILFVXZCNOYZCNA-ONGXEEELSA-N 2 2 326.263 3.373 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000496239831 311683040 /nfs/dbraw/zinc/68/30/40/311683040.db2.gz ZTEGPWQSWNUMJR-GJZGRUSLSA-N 2 2 336.480 3.044 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000037320222 453934905 /nfs/dbraw/zinc/93/49/05/453934905.db2.gz OHFYSOZQYWYVCO-NWDGAFQWSA-N 2 2 338.249 3.394 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471536 312049711 /nfs/dbraw/zinc/04/97/11/312049711.db2.gz CWXKNZSDWAUGJW-RTBURBONSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471536 312049712 /nfs/dbraw/zinc/04/97/12/312049712.db2.gz CWXKNZSDWAUGJW-RTBURBONSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471536 312049714 /nfs/dbraw/zinc/04/97/14/312049714.db2.gz CWXKNZSDWAUGJW-RTBURBONSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471536 312049716 /nfs/dbraw/zinc/04/97/16/312049716.db2.gz CWXKNZSDWAUGJW-RTBURBONSA-N 2 2 349.563 3.364 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718462 312100765 /nfs/dbraw/zinc/10/07/65/312100765.db2.gz NTSUXHICHXKHHJ-SESVDKBCSA-N 3 2 331.548 3.463 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000509827701 312127530 /nfs/dbraw/zinc/12/75/30/312127530.db2.gz WHRPJQHBQNOPPF-GOSISDBHSA-N 2 2 331.504 3.284 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000509827701 312127531 /nfs/dbraw/zinc/12/75/31/312127531.db2.gz WHRPJQHBQNOPPF-GOSISDBHSA-N 2 2 331.504 3.284 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513476582 312211141 /nfs/dbraw/zinc/21/11/41/312211141.db2.gz OBBQYPLGTNNENR-INIZCTEOSA-N 3 2 349.485 3.361 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513476582 312211142 /nfs/dbraw/zinc/21/11/42/312211142.db2.gz OBBQYPLGTNNENR-INIZCTEOSA-N 3 2 349.485 3.361 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000515074495 312264564 /nfs/dbraw/zinc/26/45/64/312264564.db2.gz PGIBKGLGVWOYTM-QZTJIDSGSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000515755720 312296445 /nfs/dbraw/zinc/29/64/45/312296445.db2.gz GBAKGBZLSRRTNE-UHFFFAOYSA-N 2 2 343.446 3.184 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000515755720 312296447 /nfs/dbraw/zinc/29/64/47/312296447.db2.gz GBAKGBZLSRRTNE-UHFFFAOYSA-N 2 2 343.446 3.184 20 0 EGADLP COc1ccc([C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)c2[nH+]ccn2C)cc1 ZINC000521609750 312552361 /nfs/dbraw/zinc/55/23/61/312552361.db2.gz LKWSMOYSGVMLBT-AABGKKOBSA-N 2 2 348.450 3.253 20 0 EGADLP C[C@@H](C[NH2+]Cc1ncc(Br)cc1F)C[NH+]1CCCCC1 ZINC000527640536 312895444 /nfs/dbraw/zinc/89/54/44/312895444.db2.gz FZLIFKVIDUYWPZ-LBPRGKRZSA-N 2 2 344.272 3.195 20 0 EGADLP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Br ZINC000044353314 454097736 /nfs/dbraw/zinc/09/77/36/454097736.db2.gz IVCKZWIIWZLYTI-UHFFFAOYSA-N 2 2 338.249 3.224 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC(F)(F)C[C@H]3C)c2cc1C ZINC000528771637 313169087 /nfs/dbraw/zinc/16/90/87/313169087.db2.gz YSYGRNIVSPERRA-HUUCEWRRSA-N 2 2 337.414 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC(F)(F)C[C@H]3C)c2cc1C ZINC000528771637 313169090 /nfs/dbraw/zinc/16/90/90/313169090.db2.gz YSYGRNIVSPERRA-HUUCEWRRSA-N 2 2 337.414 3.134 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534326123 313972504 /nfs/dbraw/zinc/97/25/04/313972504.db2.gz SZJHFWIYIZFLRQ-SJORKVTESA-N 2 2 332.492 3.142 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090230122 454296253 /nfs/dbraw/zinc/29/62/53/454296253.db2.gz BCWPVVCYAPRJMJ-ZIAGYGMSSA-N 2 2 339.277 3.174 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090230122 454296260 /nfs/dbraw/zinc/29/62/60/454296260.db2.gz BCWPVVCYAPRJMJ-ZIAGYGMSSA-N 2 2 339.277 3.174 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041731 314090247 /nfs/dbraw/zinc/09/02/47/314090247.db2.gz KPONZCJUKJKTCF-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041731 314090250 /nfs/dbraw/zinc/09/02/50/314090250.db2.gz KPONZCJUKJKTCF-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041731 314090252 /nfs/dbraw/zinc/09/02/52/314090252.db2.gz KPONZCJUKJKTCF-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041731 314090254 /nfs/dbraw/zinc/09/02/54/314090254.db2.gz KPONZCJUKJKTCF-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536371972 314109882 /nfs/dbraw/zinc/10/98/82/314109882.db2.gz TWVPKFJEXOFFJF-INIZCTEOSA-N 2 2 338.455 3.294 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000536649873 314134719 /nfs/dbraw/zinc/13/47/19/314134719.db2.gz OKFVQCHAWMZACE-OAHLLOKOSA-N 2 2 332.488 3.325 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000536649873 314134724 /nfs/dbraw/zinc/13/47/24/314134724.db2.gz OKFVQCHAWMZACE-OAHLLOKOSA-N 2 2 332.488 3.325 20 0 EGADLP CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000537895839 314215724 /nfs/dbraw/zinc/21/57/24/314215724.db2.gz BOIUXBQUHHHKHX-KRWDZBQOSA-N 2 2 349.862 3.471 20 0 EGADLP CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000537895839 314215728 /nfs/dbraw/zinc/21/57/28/314215728.db2.gz BOIUXBQUHHHKHX-KRWDZBQOSA-N 2 2 349.862 3.471 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000538112754 314227077 /nfs/dbraw/zinc/22/70/77/314227077.db2.gz JGHRKSJKBZRPJP-DYESRHJHSA-N 2 2 346.515 3.484 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000549816797 315106269 /nfs/dbraw/zinc/10/62/69/315106269.db2.gz ABLLPEHRPCRXCP-AWEZNQCLSA-N 2 2 337.305 3.380 20 0 EGADLP C[C@H]1[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000550818609 315135451 /nfs/dbraw/zinc/13/54/51/315135451.db2.gz OLACERPCYWTDHD-WJMWBRGCSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H]1[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@H+]1Cc1ccccc1 ZINC000550818609 315135454 /nfs/dbraw/zinc/13/54/54/315135454.db2.gz OLACERPCYWTDHD-WJMWBRGCSA-N 2 2 330.516 3.428 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000552044091 315192450 /nfs/dbraw/zinc/19/24/50/315192450.db2.gz PQOUXGCOWDDARR-SFHVURJKSA-N 2 2 331.504 3.323 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000552124874 315199627 /nfs/dbraw/zinc/19/96/27/315199627.db2.gz UMJBEWHJESVVCL-DBVUQKKJSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000552124874 315199630 /nfs/dbraw/zinc/19/96/30/315199630.db2.gz UMJBEWHJESVVCL-DBVUQKKJSA-N 2 2 337.467 3.028 20 0 EGADLP CCN(C)c1ccc(CNc2cc(C[NH+](C)C)ccc2OC)c[nH+]1 ZINC000555388688 315382395 /nfs/dbraw/zinc/38/23/95/315382395.db2.gz QSFOZDIBTZCNKD-UHFFFAOYSA-N 2 2 328.460 3.220 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000555524071 315387661 /nfs/dbraw/zinc/38/76/61/315387661.db2.gz CWFNRDFBITXXGS-IRXDYDNUSA-N 2 2 343.471 3.369 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000555536857 315388721 /nfs/dbraw/zinc/38/87/21/315388721.db2.gz BBXALJSVKIDRIU-CQSZACIVSA-N 2 2 337.305 3.380 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000555536857 315388722 /nfs/dbraw/zinc/38/87/22/315388722.db2.gz BBXALJSVKIDRIU-CQSZACIVSA-N 2 2 337.305 3.380 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000557032302 315491717 /nfs/dbraw/zinc/49/17/17/315491717.db2.gz IYPRMECXNJJVNZ-AWEZNQCLSA-N 2 2 325.294 3.238 20 0 EGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000557339599 315506576 /nfs/dbraw/zinc/50/65/76/315506576.db2.gz WZOKXYPNUMRSPF-GDBMZVCRSA-N 2 2 344.286 3.107 20 0 EGADLP O=C(c1ccccc1Oc1cc[nH+]cc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000558714877 315596797 /nfs/dbraw/zinc/59/67/97/315596797.db2.gz LKQSDTGHYGEPKQ-MRXNPFEDSA-N 2 2 337.423 3.184 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(F)cn1 ZINC000563737043 316063495 /nfs/dbraw/zinc/06/34/95/316063495.db2.gz CJRPEOSTTUJGSC-STQMWFEESA-N 2 2 346.450 3.389 20 0 EGADLP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328120 316137242 /nfs/dbraw/zinc/13/72/42/316137242.db2.gz BAGBQNDXFOLNEH-OALUTQOASA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328120 316137246 /nfs/dbraw/zinc/13/72/46/316137246.db2.gz BAGBQNDXFOLNEH-OALUTQOASA-N 2 2 338.455 3.375 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459658 316155825 /nfs/dbraw/zinc/15/58/25/316155825.db2.gz LVBSBGUUTNKGSX-HBFSDRIKSA-N 2 2 345.531 3.285 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459658 316155829 /nfs/dbraw/zinc/15/58/29/316155829.db2.gz LVBSBGUUTNKGSX-HBFSDRIKSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459658 316155832 /nfs/dbraw/zinc/15/58/32/316155832.db2.gz LVBSBGUUTNKGSX-HBFSDRIKSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C ZINC000564459658 316155835 /nfs/dbraw/zinc/15/58/35/316155835.db2.gz LVBSBGUUTNKGSX-HBFSDRIKSA-N 2 2 345.531 3.285 20 0 EGADLP Oc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000564507291 316159954 /nfs/dbraw/zinc/15/99/54/316159954.db2.gz ULUOPPQGRVVGOP-RBUKOAKNSA-N 2 2 340.442 3.485 20 0 EGADLP Oc1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000564507291 316159957 /nfs/dbraw/zinc/15/99/57/316159957.db2.gz ULUOPPQGRVVGOP-RBUKOAKNSA-N 2 2 340.442 3.485 20 0 EGADLP Fc1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000565230427 316295287 /nfs/dbraw/zinc/29/52/87/316295287.db2.gz RNVDDCPKPUOOCJ-QGZVFWFLSA-N 2 2 340.870 3.208 20 0 EGADLP Fc1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000565230427 316295290 /nfs/dbraw/zinc/29/52/90/316295290.db2.gz RNVDDCPKPUOOCJ-QGZVFWFLSA-N 2 2 340.870 3.208 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000565370151 316316224 /nfs/dbraw/zinc/31/62/24/316316224.db2.gz IKTIEYLJOLDRLO-MRXNPFEDSA-N 2 2 346.906 3.385 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c2[nH+]ccn21 ZINC000565936612 316390434 /nfs/dbraw/zinc/39/04/34/316390434.db2.gz QEPWRMCWYIDFJJ-JKSUJKDBSA-N 2 2 347.507 3.233 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H](O)Cc1ccc(F)cc1)[NH+](C)C ZINC000569232151 316885356 /nfs/dbraw/zinc/88/53/56/316885356.db2.gz LOUBTYKXSQCOBU-PBEJRMEISA-N 2 2 344.474 3.319 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CCC[NH+](C)C ZINC000570761369 317102332 /nfs/dbraw/zinc/10/23/32/317102332.db2.gz YKFLGEMBLRVKAA-UHFFFAOYSA-N 2 2 328.504 3.240 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)CCC[NH+](C)C ZINC000570761369 317102335 /nfs/dbraw/zinc/10/23/35/317102335.db2.gz YKFLGEMBLRVKAA-UHFFFAOYSA-N 2 2 328.504 3.240 20 0 EGADLP C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000571038390 317142463 /nfs/dbraw/zinc/14/24/63/317142463.db2.gz SJRXBBIJKIEDKP-HQRMLTQVSA-N 2 2 337.467 3.344 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000572020323 317280657 /nfs/dbraw/zinc/28/06/57/317280657.db2.gz PMRKBBRSLHSDHZ-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000572020323 317280660 /nfs/dbraw/zinc/28/06/60/317280660.db2.gz PMRKBBRSLHSDHZ-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cc4ccccc4[nH]3)c2cc1C ZINC000572079227 317287034 /nfs/dbraw/zinc/28/70/34/317287034.db2.gz XNIXOIOXMPHHHE-SFHVURJKSA-N 2 2 348.450 3.285 20 0 EGADLP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000572725922 317382543 /nfs/dbraw/zinc/38/25/43/317382543.db2.gz AWLXLDKEGZJVTH-INIZCTEOSA-N 2 2 344.459 3.194 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc(Cl)c1OC ZINC000179630889 455062815 /nfs/dbraw/zinc/06/28/15/455062815.db2.gz INYAXWUUTRQBRR-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc(Cl)c1OC ZINC000179630889 455062818 /nfs/dbraw/zinc/06/28/18/455062818.db2.gz INYAXWUUTRQBRR-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000261590263 455910243 /nfs/dbraw/zinc/91/02/43/455910243.db2.gz LFMAIDRBKLSVHI-AWEZNQCLSA-N 2 2 347.684 3.152 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3)C[C@H]21 ZINC000228473258 456122690 /nfs/dbraw/zinc/12/26/90/456122690.db2.gz MMXABYFBSLXGOK-KCPJHIHWSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3)C[C@H]21 ZINC000228473258 456122695 /nfs/dbraw/zinc/12/26/95/456122695.db2.gz MMXABYFBSLXGOK-KCPJHIHWSA-N 2 2 327.241 3.147 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC000178507062 323357348 /nfs/dbraw/zinc/35/73/48/323357348.db2.gz BGLWPVOHZMLPHN-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC000178507062 323357353 /nfs/dbraw/zinc/35/73/53/323357353.db2.gz BGLWPVOHZMLPHN-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ncc(Br)s1 ZINC000179207765 323374553 /nfs/dbraw/zinc/37/45/53/323374553.db2.gz SBXHMBXPYSYVRX-JTQLQIEISA-N 2 2 344.322 3.431 20 0 EGADLP CCC[C@@H](C(=O)OCC)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309235 324255142 /nfs/dbraw/zinc/25/51/42/324255142.db2.gz GDCUHVBJUGJLQR-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@@H](C(=O)OCC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309235 324255146 /nfs/dbraw/zinc/25/51/46/324255146.db2.gz GDCUHVBJUGJLQR-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@@H](C(=O)OCC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383309235 324255148 /nfs/dbraw/zinc/25/51/48/324255148.db2.gz GDCUHVBJUGJLQR-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@@H](C(=O)OCC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383309235 324255153 /nfs/dbraw/zinc/25/51/53/324255153.db2.gz GDCUHVBJUGJLQR-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP CN(Cc1ccccc1)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000387317031 324271048 /nfs/dbraw/zinc/27/10/48/324271048.db2.gz BYTUKFDGOXEUEZ-UHFFFAOYSA-N 2 2 327.516 3.258 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000398140446 324295878 /nfs/dbraw/zinc/29/58/78/324295878.db2.gz WEJIJEAZZULKPR-FQEVSTJZSA-N 3 2 328.504 3.099 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000398140446 324295880 /nfs/dbraw/zinc/29/58/80/324295880.db2.gz WEJIJEAZZULKPR-FQEVSTJZSA-N 3 2 328.504 3.099 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000577841439 324875789 /nfs/dbraw/zinc/87/57/89/324875789.db2.gz OCFLIJIPNUEMQP-HNNXBMFYSA-N 2 2 335.467 3.173 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579975296 325186471 /nfs/dbraw/zinc/18/64/71/325186471.db2.gz OIKDSBHBCJULCW-SQNIBIBYSA-N 2 2 349.906 3.028 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579975296 325186472 /nfs/dbraw/zinc/18/64/72/325186472.db2.gz OIKDSBHBCJULCW-SQNIBIBYSA-N 2 2 349.906 3.028 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000580209390 325219430 /nfs/dbraw/zinc/21/94/30/325219430.db2.gz ZZODUHPJCCJHAU-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000580209390 325219433 /nfs/dbraw/zinc/21/94/33/325219433.db2.gz ZZODUHPJCCJHAU-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)s2)cn1 ZINC000580713876 325287282 /nfs/dbraw/zinc/28/72/82/325287282.db2.gz MYUVCNMMQUDQOS-IRXDYDNUSA-N 2 2 330.501 3.255 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)s2)cn1 ZINC000580713876 325287286 /nfs/dbraw/zinc/28/72/86/325287286.db2.gz MYUVCNMMQUDQOS-IRXDYDNUSA-N 2 2 330.501 3.255 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797321 325390544 /nfs/dbraw/zinc/39/05/44/325390544.db2.gz KDPBUISGNXTFGO-AEFFLSMTSA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797321 325390546 /nfs/dbraw/zinc/39/05/46/325390546.db2.gz KDPBUISGNXTFGO-AEFFLSMTSA-N 2 2 344.503 3.151 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000581924312 325399074 /nfs/dbraw/zinc/39/90/74/325399074.db2.gz ZEOKNUYTKDXNRX-QZTJIDSGSA-N 2 2 335.455 3.422 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)ccn12 ZINC000582071257 325412069 /nfs/dbraw/zinc/41/20/69/325412069.db2.gz MOMQKQOPMBRPMQ-IBGZPJMESA-N 2 2 348.450 3.210 20 0 EGADLP CC[C@@H](F)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352462997 457387156 /nfs/dbraw/zinc/38/71/56/457387156.db2.gz HJCUYJVRZLBTCS-GFCCVEGCSA-N 2 2 344.228 3.489 20 0 EGADLP CC[C@@H](F)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352462997 457387161 /nfs/dbraw/zinc/38/71/61/457387161.db2.gz HJCUYJVRZLBTCS-GFCCVEGCSA-N 2 2 344.228 3.489 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000180720105 455233378 /nfs/dbraw/zinc/23/33/78/455233378.db2.gz RYTGPVBQFBDUEE-ZBFHGGJFSA-N 2 2 341.484 3.428 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734456 459304762 /nfs/dbraw/zinc/30/47/62/459304762.db2.gz MXRWMQBCWIJFOV-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734456 459304764 /nfs/dbraw/zinc/30/47/64/459304764.db2.gz MXRWMQBCWIJFOV-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180941647 455267087 /nfs/dbraw/zinc/26/70/87/455267087.db2.gz OELWMGFDBITJGA-IBGZPJMESA-N 2 2 339.474 3.374 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180941647 455267088 /nfs/dbraw/zinc/26/70/88/455267088.db2.gz OELWMGFDBITJGA-IBGZPJMESA-N 2 2 339.474 3.374 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000181095041 455286107 /nfs/dbraw/zinc/28/61/07/455286107.db2.gz MOOIOFOQNSQAJT-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000181095041 455286111 /nfs/dbraw/zinc/28/61/11/455286111.db2.gz MOOIOFOQNSQAJT-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454409 455305460 /nfs/dbraw/zinc/30/54/60/455305460.db2.gz RYAXXOZTJPIXNI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454409 455305462 /nfs/dbraw/zinc/30/54/62/455305462.db2.gz RYAXXOZTJPIXNI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454409 455305467 /nfs/dbraw/zinc/30/54/67/455305467.db2.gz RYAXXOZTJPIXNI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454409 455305472 /nfs/dbraw/zinc/30/54/72/455305472.db2.gz RYAXXOZTJPIXNI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](CC)CCOc1ccc(CNc2cccc[nH+]2)cc1OC ZINC000019778304 453659528 /nfs/dbraw/zinc/65/95/28/453659528.db2.gz ROFUDYHQAWGNPY-UHFFFAOYSA-N 2 2 329.444 3.423 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000623572771 460618348 /nfs/dbraw/zinc/61/83/48/460618348.db2.gz NIEFLUXGOAFCSS-CYBMUJFWSA-N 2 2 334.407 3.110 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000030903637 453841358 /nfs/dbraw/zinc/84/13/58/453841358.db2.gz ODPPUHKIOFIQOW-NRFANRHFSA-N 2 2 338.495 3.121 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000030903637 453841360 /nfs/dbraw/zinc/84/13/60/453841360.db2.gz ODPPUHKIOFIQOW-NRFANRHFSA-N 2 2 338.495 3.121 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000081633997 453899079 /nfs/dbraw/zinc/89/90/79/453899079.db2.gz QREGVSPENHTAHF-LJQANCHMSA-N 2 2 343.515 3.092 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000081633997 453899082 /nfs/dbraw/zinc/89/90/82/453899082.db2.gz QREGVSPENHTAHF-LJQANCHMSA-N 2 2 343.515 3.092 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000081633997 453899086 /nfs/dbraw/zinc/89/90/86/453899086.db2.gz QREGVSPENHTAHF-LJQANCHMSA-N 2 2 343.515 3.092 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000081633997 453899090 /nfs/dbraw/zinc/89/90/90/453899090.db2.gz QREGVSPENHTAHF-LJQANCHMSA-N 2 2 343.515 3.092 20 0 EGADLP C[N@@H+](Cc1cn2ccsc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109910 453965144 /nfs/dbraw/zinc/96/51/44/453965144.db2.gz ZQUWORKISHQVIR-QGZVFWFLSA-N 2 2 340.496 3.350 20 0 EGADLP C[N@H+](Cc1cn2ccsc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109910 453965146 /nfs/dbraw/zinc/96/51/46/453965146.db2.gz ZQUWORKISHQVIR-QGZVFWFLSA-N 2 2 340.496 3.350 20 0 EGADLP C[NH+](Cc1cn2ccsc2n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109910 453965148 /nfs/dbraw/zinc/96/51/48/453965148.db2.gz ZQUWORKISHQVIR-QGZVFWFLSA-N 2 2 340.496 3.350 20 0 EGADLP C[NH+](Cc1cn2ccsc2n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109910 453965151 /nfs/dbraw/zinc/96/51/51/453965151.db2.gz ZQUWORKISHQVIR-QGZVFWFLSA-N 2 2 340.496 3.350 20 0 EGADLP Cc1cc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000043533916 454066569 /nfs/dbraw/zinc/06/65/69/454066569.db2.gz PKOQWPLPKHPRSA-UHFFFAOYSA-N 2 2 330.863 3.459 20 0 EGADLP Cc1cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000043533916 454066572 /nfs/dbraw/zinc/06/65/72/454066572.db2.gz PKOQWPLPKHPRSA-UHFFFAOYSA-N 2 2 330.863 3.459 20 0 EGADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(Cl)o2)c2ccccc2)CC1 ZINC000069171170 454084418 /nfs/dbraw/zinc/08/44/18/454084418.db2.gz LYOBICVGYPHNDM-KRWDZBQOSA-N 2 2 333.863 3.011 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)Oc1ccccc1 ZINC000089722005 454184010 /nfs/dbraw/zinc/18/40/10/454184010.db2.gz IEEGJHZKQCMMLH-KRWDZBQOSA-N 2 2 325.456 3.103 20 0 EGADLP c1coc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000045806936 454184345 /nfs/dbraw/zinc/18/43/45/454184345.db2.gz RUDNBRVCKSGGCF-UHFFFAOYSA-N 2 2 344.459 3.418 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246091492 455424577 /nfs/dbraw/zinc/42/45/77/455424577.db2.gz IPUAPVBFJIGATP-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246091492 455424581 /nfs/dbraw/zinc/42/45/81/455424581.db2.gz IPUAPVBFJIGATP-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246091492 455424584 /nfs/dbraw/zinc/42/45/84/455424584.db2.gz IPUAPVBFJIGATP-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246091492 455424587 /nfs/dbraw/zinc/42/45/87/455424587.db2.gz IPUAPVBFJIGATP-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246106891 455429128 /nfs/dbraw/zinc/42/91/28/455429128.db2.gz CZKKHVOBYNXOKV-MOPGFXCFSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246106891 455429130 /nfs/dbraw/zinc/42/91/30/455429130.db2.gz CZKKHVOBYNXOKV-MOPGFXCFSA-N 2 2 349.563 3.268 20 0 EGADLP Cc1cccn2cc(CN3CC[NH+](Cc4ccccc4C)CC3)[nH+]c12 ZINC000045912914 454195862 /nfs/dbraw/zinc/19/58/62/454195862.db2.gz FITPQKCIVJPCLK-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058383618 454196131 /nfs/dbraw/zinc/19/61/31/454196131.db2.gz HKGSSHMTKKNJPR-UHFFFAOYSA-N 2 2 343.390 3.369 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000130575842 454206002 /nfs/dbraw/zinc/20/60/02/454206002.db2.gz XHPCESLBHJKDNT-CQSZACIVSA-N 2 2 348.450 3.457 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C(C)(C)O1 ZINC000095420011 454208090 /nfs/dbraw/zinc/20/80/90/454208090.db2.gz MJHJAGPDOAPJLI-QGZVFWFLSA-N 2 2 327.472 3.410 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000119639318 454209578 /nfs/dbraw/zinc/20/95/78/454209578.db2.gz XJGFAEZHPGLDMM-SFHVURJKSA-N 2 2 338.455 3.076 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000119639318 454209586 /nfs/dbraw/zinc/20/95/86/454209586.db2.gz XJGFAEZHPGLDMM-SFHVURJKSA-N 2 2 338.455 3.076 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000119778017 454219044 /nfs/dbraw/zinc/21/90/44/454219044.db2.gz LSBZRSQXDNRNLE-HNNXBMFYSA-N 2 2 344.484 3.485 20 0 EGADLP c1cn(-c2cc(N[C@H](C[NH+]3CCCCC3)c3ccccc3)ncn2)c[nH+]1 ZINC000078333901 454233750 /nfs/dbraw/zinc/23/37/50/454233750.db2.gz QXYRKCFLNIHORP-GOSISDBHSA-N 2 2 348.454 3.301 20 0 EGADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131113854 454237216 /nfs/dbraw/zinc/23/72/16/454237216.db2.gz SGATYHLWBRMARP-QGZVFWFLSA-N 2 2 328.456 3.285 20 0 EGADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000131113854 454237219 /nfs/dbraw/zinc/23/72/19/454237219.db2.gz SGATYHLWBRMARP-QGZVFWFLSA-N 2 2 328.456 3.285 20 0 EGADLP Cc1cnn(CCCCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003849 454259858 /nfs/dbraw/zinc/25/98/58/454259858.db2.gz GJKZKGFZIWVKMR-SFHVURJKSA-N 2 2 329.492 3.050 20 0 EGADLP Cc1cnn(CCCCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003849 454259864 /nfs/dbraw/zinc/25/98/64/454259864.db2.gz GJKZKGFZIWVKMR-SFHVURJKSA-N 2 2 329.492 3.050 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000090048288 454266701 /nfs/dbraw/zinc/26/67/01/454266701.db2.gz ZHSVNSMEXYMKPX-SJLPKXTDSA-N 2 2 330.472 3.133 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000090047504 454266980 /nfs/dbraw/zinc/26/69/80/454266980.db2.gz YOQQWNSTQMKNOX-PBHICJAKSA-N 2 2 342.430 3.440 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(F)ccc1Br)Cn1cc[nH+]c1 ZINC000090171793 454289435 /nfs/dbraw/zinc/28/94/35/454289435.db2.gz QVFJIMLUTKUWMZ-LLVKDONJSA-N 2 2 326.213 3.211 20 0 EGADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014637 454324385 /nfs/dbraw/zinc/32/43/85/454324385.db2.gz ZRCXHBMSHDPFRB-UHFFFAOYSA-N 2 2 347.825 3.019 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC000061029175 454325366 /nfs/dbraw/zinc/32/53/66/454325366.db2.gz UCMPYGSODKQSIP-JKSUJKDBSA-N 2 2 332.488 3.373 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC000061029175 454325369 /nfs/dbraw/zinc/32/53/69/454325369.db2.gz UCMPYGSODKQSIP-JKSUJKDBSA-N 2 2 332.488 3.373 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1c(C)noc1C ZINC000090887506 454348604 /nfs/dbraw/zinc/34/86/04/454348604.db2.gz GUUOCGYRSQRUSF-GOSISDBHSA-N 2 2 328.460 3.392 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936834 454352024 /nfs/dbraw/zinc/35/20/24/454352024.db2.gz KSBVOCIXEOJJSJ-DXCKQFNASA-N 2 2 328.859 3.487 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936834 454352025 /nfs/dbraw/zinc/35/20/25/454352025.db2.gz KSBVOCIXEOJJSJ-DXCKQFNASA-N 2 2 328.859 3.487 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634962826 460632070 /nfs/dbraw/zinc/63/20/70/460632070.db2.gz CNYOQCSKCCZXGB-UHFFFAOYSA-N 2 2 331.423 3.239 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000133218773 454401902 /nfs/dbraw/zinc/40/19/02/454401902.db2.gz XQGRSGPUWQWWAF-QGZVFWFLSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000133218773 454401905 /nfs/dbraw/zinc/40/19/05/454401905.db2.gz XQGRSGPUWQWWAF-QGZVFWFLSA-N 2 2 325.456 3.187 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000121793933 454477566 /nfs/dbraw/zinc/47/75/66/454477566.db2.gz XEELIGFIZSJXEX-GFCCVEGCSA-N 2 2 345.409 3.352 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)[NH+](C)C ZINC000121793785 454477859 /nfs/dbraw/zinc/47/78/59/454477859.db2.gz XEELIGFIZSJXEX-LBPRGKRZSA-N 2 2 345.409 3.352 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000091959813 454495986 /nfs/dbraw/zinc/49/59/86/454495986.db2.gz ZHOSPGCWEGWTHL-CLCXKQKWSA-N 2 2 341.455 3.298 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000091959813 454495990 /nfs/dbraw/zinc/49/59/90/454495990.db2.gz ZHOSPGCWEGWTHL-CLCXKQKWSA-N 2 2 341.455 3.298 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073332 454515919 /nfs/dbraw/zinc/51/59/19/454515919.db2.gz MGSUPMOMNZIUCO-NSHDSACASA-N 2 2 336.233 3.257 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073332 454515921 /nfs/dbraw/zinc/51/59/21/454515921.db2.gz MGSUPMOMNZIUCO-NSHDSACASA-N 2 2 336.233 3.257 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(Cl)c1OC ZINC000092072290 454515969 /nfs/dbraw/zinc/51/59/69/454515969.db2.gz MDSPCUQXKUCODE-ZDUSSCGKSA-N 2 2 335.835 3.460 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(Cl)c1OC ZINC000092072290 454515973 /nfs/dbraw/zinc/51/59/73/454515973.db2.gz MDSPCUQXKUCODE-ZDUSSCGKSA-N 2 2 335.835 3.460 20 0 EGADLP CC(C)COc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079233 454519800 /nfs/dbraw/zinc/51/98/00/454519800.db2.gz KVNGYOCGZHLDCN-GOSISDBHSA-N 2 2 346.515 3.407 20 0 EGADLP CC(C)COc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079233 454519802 /nfs/dbraw/zinc/51/98/02/454519802.db2.gz KVNGYOCGZHLDCN-GOSISDBHSA-N 2 2 346.515 3.407 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1OC ZINC000092253931 454541829 /nfs/dbraw/zinc/54/18/29/454541829.db2.gz QEJNLYGUDRPBJH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1OC ZINC000092253931 454541836 /nfs/dbraw/zinc/54/18/36/454541836.db2.gz QEJNLYGUDRPBJH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000092253931 454541841 /nfs/dbraw/zinc/54/18/41/454541841.db2.gz QEJNLYGUDRPBJH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000092253931 454541846 /nfs/dbraw/zinc/54/18/46/454541846.db2.gz QEJNLYGUDRPBJH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000074218447 454546489 /nfs/dbraw/zinc/54/64/89/454546489.db2.gz YNLBBGPAWCBHTD-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000092587754 454590701 /nfs/dbraw/zinc/59/07/01/454590701.db2.gz WIIJUSYLOJFARA-MRXNPFEDSA-N 2 2 336.549 3.153 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000092587754 454590705 /nfs/dbraw/zinc/59/07/05/454590705.db2.gz WIIJUSYLOJFARA-MRXNPFEDSA-N 2 2 336.549 3.153 20 0 EGADLP COc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645328 454599698 /nfs/dbraw/zinc/59/96/98/454599698.db2.gz BZUQNSXGLOBYRT-UHFFFAOYSA-N 2 2 339.483 3.229 20 0 EGADLP COc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645328 454599700 /nfs/dbraw/zinc/59/97/00/454599700.db2.gz BZUQNSXGLOBYRT-UHFFFAOYSA-N 2 2 339.483 3.229 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+](C)C ZINC000123074329 454599865 /nfs/dbraw/zinc/59/98/65/454599865.db2.gz IDSRNKIRAFJINE-UHFFFAOYSA-N 2 2 334.895 3.243 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)c1cnn(CC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000123090594 454600640 /nfs/dbraw/zinc/60/06/40/454600640.db2.gz CGZWBXLZIMTSHY-OXJNMPFZSA-N 2 2 326.488 3.391 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)c1cnn(CC)c1)[N@H+]1CCc2ccccc2C1 ZINC000123090594 454600646 /nfs/dbraw/zinc/60/06/46/454600646.db2.gz CGZWBXLZIMTSHY-OXJNMPFZSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000092665605 454605524 /nfs/dbraw/zinc/60/55/24/454605524.db2.gz BKHOXHGRRIEMBZ-HDAKTPJGSA-N 2 2 345.506 3.329 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000092665605 454605528 /nfs/dbraw/zinc/60/55/28/454605528.db2.gz BKHOXHGRRIEMBZ-HDAKTPJGSA-N 2 2 345.506 3.329 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]([C@@H](C)C3CC3)C3CC3)c2cc1C ZINC000051881917 454639729 /nfs/dbraw/zinc/63/97/29/454639729.db2.gz ZCKVFCGMZDWYSH-YJBOKZPZSA-N 2 2 327.472 3.277 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]([C@@H](C)C3CC3)C3CC3)c2cc1C ZINC000051881917 454639734 /nfs/dbraw/zinc/63/97/34/454639734.db2.gz ZCKVFCGMZDWYSH-YJBOKZPZSA-N 2 2 327.472 3.277 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000123522207 454647350 /nfs/dbraw/zinc/64/73/50/454647350.db2.gz BCHKDJXDUPRWLU-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000066048774 454654442 /nfs/dbraw/zinc/65/44/42/454654442.db2.gz RFFAMECUDLFJKN-UHFFFAOYSA-N 2 2 338.386 3.082 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000066048774 454654447 /nfs/dbraw/zinc/65/44/47/454654447.db2.gz RFFAMECUDLFJKN-UHFFFAOYSA-N 2 2 338.386 3.082 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080959527 454656895 /nfs/dbraw/zinc/65/68/95/454656895.db2.gz BLJORUCNLQRLNA-INIZCTEOSA-N 2 2 328.460 3.300 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080959527 454656897 /nfs/dbraw/zinc/65/68/97/454656897.db2.gz BLJORUCNLQRLNA-INIZCTEOSA-N 2 2 328.460 3.300 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc(=O)oc2c1 ZINC000080959992 454658163 /nfs/dbraw/zinc/65/81/63/454658163.db2.gz ABKMOOXNQNSYIX-OAHLLOKOSA-N 2 2 337.423 3.458 20 0 EGADLP CCc1ccc2c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc(=O)oc2c1 ZINC000080959992 454658169 /nfs/dbraw/zinc/65/81/69/454658169.db2.gz ABKMOOXNQNSYIX-OAHLLOKOSA-N 2 2 337.423 3.458 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984242 454665742 /nfs/dbraw/zinc/66/57/42/454665742.db2.gz OXBGLVKLKQYSQF-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984242 454665747 /nfs/dbraw/zinc/66/57/47/454665747.db2.gz OXBGLVKLKQYSQF-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106216775 454686514 /nfs/dbraw/zinc/68/65/14/454686514.db2.gz GEDHAHCSJYUIQR-GOSISDBHSA-N 2 2 340.471 3.338 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106216775 454686519 /nfs/dbraw/zinc/68/65/19/454686519.db2.gz GEDHAHCSJYUIQR-GOSISDBHSA-N 2 2 340.471 3.338 20 0 EGADLP CC(C)c1nc(NCc2cccc(C[NH+]3CCOCC3)c2)cc[nH+]1 ZINC000106464822 454696050 /nfs/dbraw/zinc/69/60/50/454696050.db2.gz JFHMGYVPPDUEFJ-UHFFFAOYSA-N 2 2 326.444 3.044 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000124049744 454696623 /nfs/dbraw/zinc/69/66/23/454696623.db2.gz XJUYKLRARCOGFB-UHFFFAOYSA-N 2 2 347.503 3.252 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318332 454702338 /nfs/dbraw/zinc/70/23/38/454702338.db2.gz XHPHHPNACRYWHN-FUHWJXTLSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318332 454702340 /nfs/dbraw/zinc/70/23/40/454702340.db2.gz XHPHHPNACRYWHN-FUHWJXTLSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318332 454702342 /nfs/dbraw/zinc/70/23/42/454702342.db2.gz XHPHHPNACRYWHN-FUHWJXTLSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318332 454702345 /nfs/dbraw/zinc/70/23/45/454702345.db2.gz XHPHHPNACRYWHN-FUHWJXTLSA-N 2 2 328.456 3.257 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000161627278 454709270 /nfs/dbraw/zinc/70/92/70/454709270.db2.gz AMXQXEMODPTYOT-CQSZACIVSA-N 2 2 345.466 3.240 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3nccs3)CC2)c1 ZINC000093371770 454709623 /nfs/dbraw/zinc/70/96/23/454709623.db2.gz YZBQVWSKLXFBOQ-KRWDZBQOSA-N 2 2 344.528 3.314 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1F ZINC000124294200 454714620 /nfs/dbraw/zinc/71/46/20/454714620.db2.gz GDDZATQEJJFZQK-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1F ZINC000124294200 454714628 /nfs/dbraw/zinc/71/46/28/454714628.db2.gz GDDZATQEJJFZQK-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683646 454729001 /nfs/dbraw/zinc/72/90/01/454729001.db2.gz HZQMSCCKJCSNAA-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683646 454729007 /nfs/dbraw/zinc/72/90/07/454729007.db2.gz HZQMSCCKJCSNAA-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770712 454734423 /nfs/dbraw/zinc/73/44/23/454734423.db2.gz NOZSMAHGFKNUIH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770712 454734426 /nfs/dbraw/zinc/73/44/26/454734426.db2.gz NOZSMAHGFKNUIH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770712 454734430 /nfs/dbraw/zinc/73/44/30/454734430.db2.gz NOZSMAHGFKNUIH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770712 454734431 /nfs/dbraw/zinc/73/44/31/454734431.db2.gz NOZSMAHGFKNUIH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494890 454751679 /nfs/dbraw/zinc/75/16/79/454751679.db2.gz BWIYZXTYWKCMNP-FUHIMQAGSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494890 454751683 /nfs/dbraw/zinc/75/16/83/454751683.db2.gz BWIYZXTYWKCMNP-FUHIMQAGSA-N 3 2 326.488 3.253 20 0 EGADLP CN(C(=O)c1ccsc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124657134 454757676 /nfs/dbraw/zinc/75/76/76/454757676.db2.gz SEDTUHJQXLZUSL-MSOLQXFVSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1ccsc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124657134 454757680 /nfs/dbraw/zinc/75/76/80/454757680.db2.gz SEDTUHJQXLZUSL-MSOLQXFVSA-N 2 2 349.544 3.157 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000162191596 454757857 /nfs/dbraw/zinc/75/78/57/454757857.db2.gz TUJUOAOTKLYZHK-DGCLKSJQSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000162191596 454757861 /nfs/dbraw/zinc/75/78/61/454757861.db2.gz TUJUOAOTKLYZHK-DGCLKSJQSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124688213 454760829 /nfs/dbraw/zinc/76/08/29/454760829.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124688213 454760834 /nfs/dbraw/zinc/76/08/34/454760834.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124688213 454760837 /nfs/dbraw/zinc/76/08/37/454760837.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124688213 454760843 /nfs/dbraw/zinc/76/08/43/454760843.db2.gz DSUNOAMJWIFKFP-PRKQWTSCSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000153232938 454773743 /nfs/dbraw/zinc/77/37/43/454773743.db2.gz IRTAUBKUBCDWGZ-ARFHVFGLSA-N 2 2 347.528 3.346 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cn2)c1 ZINC000162664240 454791956 /nfs/dbraw/zinc/79/19/56/454791956.db2.gz JPXPWKOPWNKJDQ-WBVHZDCISA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cn2)c1 ZINC000162664240 454791960 /nfs/dbraw/zinc/79/19/60/454791960.db2.gz JPXPWKOPWNKJDQ-WBVHZDCISA-N 2 2 341.455 3.455 20 0 EGADLP Cc1csc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC000153697638 454822015 /nfs/dbraw/zinc/82/20/15/454822015.db2.gz JDJKPFBLSBQDCS-INIZCTEOSA-N 2 2 334.533 3.027 20 0 EGADLP Cc1csc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCC4)C3)CC2)n1 ZINC000153697638 454822016 /nfs/dbraw/zinc/82/20/16/454822016.db2.gz JDJKPFBLSBQDCS-INIZCTEOSA-N 2 2 334.533 3.027 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c(C)n1 ZINC000164393187 454881238 /nfs/dbraw/zinc/88/12/38/454881238.db2.gz MCJAWJMRUODHHH-INIZCTEOSA-N 2 2 346.519 3.027 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1Cl ZINC000126433574 454893284 /nfs/dbraw/zinc/89/32/84/454893284.db2.gz PMVQAZJRTHNYQB-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1Cl ZINC000126433574 454893289 /nfs/dbraw/zinc/89/32/89/454893289.db2.gz PMVQAZJRTHNYQB-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@H+](C)Cc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000126433574 454893292 /nfs/dbraw/zinc/89/32/92/454893292.db2.gz PMVQAZJRTHNYQB-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@@H+](C)Cc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000126433574 454893296 /nfs/dbraw/zinc/89/32/96/454893296.db2.gz PMVQAZJRTHNYQB-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150813558 454896720 /nfs/dbraw/zinc/89/67/20/454896720.db2.gz ZTYHFSCEWHUMQO-QGZVFWFLSA-N 2 2 337.467 3.196 20 0 EGADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150813558 454896723 /nfs/dbraw/zinc/89/67/23/454896723.db2.gz ZTYHFSCEWHUMQO-QGZVFWFLSA-N 2 2 337.467 3.196 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165991088 454906992 /nfs/dbraw/zinc/90/69/92/454906992.db2.gz QFMSBJWOWYSDJT-YXYSEUPNSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165991088 454906995 /nfs/dbraw/zinc/90/69/95/454906995.db2.gz QFMSBJWOWYSDJT-YXYSEUPNSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000165991088 454906998 /nfs/dbraw/zinc/90/69/98/454906998.db2.gz QFMSBJWOWYSDJT-YXYSEUPNSA-N 3 2 347.547 3.014 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000154689011 454919749 /nfs/dbraw/zinc/91/97/49/454919749.db2.gz XAJOUGZDMSVMDV-KSSFIOAISA-N 2 2 329.419 3.443 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000154689011 454919752 /nfs/dbraw/zinc/91/97/52/454919752.db2.gz XAJOUGZDMSVMDV-KSSFIOAISA-N 2 2 329.419 3.443 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000113516042 454928631 /nfs/dbraw/zinc/92/86/31/454928631.db2.gz WIJORVGOKPOZPX-SFHVURJKSA-N 2 2 349.563 3.364 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000113516042 454928633 /nfs/dbraw/zinc/92/86/33/454928633.db2.gz WIJORVGOKPOZPX-SFHVURJKSA-N 2 2 349.563 3.364 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn21 ZINC000178061823 454931345 /nfs/dbraw/zinc/93/13/45/454931345.db2.gz KMXCRMIFFXZFRL-OXJNMPFZSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn21 ZINC000178061823 454931350 /nfs/dbraw/zinc/93/13/50/454931350.db2.gz KMXCRMIFFXZFRL-OXJNMPFZSA-N 2 2 349.482 3.038 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+]2CCCC2)c1 ZINC000154873957 454938625 /nfs/dbraw/zinc/93/86/25/454938625.db2.gz BBDGRZUXAUQVQW-JXFKEZNVSA-N 2 2 332.488 3.237 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000151138763 454942896 /nfs/dbraw/zinc/94/28/96/454942896.db2.gz GKYUJOOPOHYYTI-UHFFFAOYSA-N 2 2 346.906 3.445 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198715 454946332 /nfs/dbraw/zinc/94/63/32/454946332.db2.gz FBNAJACKTJTUEN-ZIAGYGMSSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198715 454946337 /nfs/dbraw/zinc/94/63/37/454946337.db2.gz FBNAJACKTJTUEN-ZIAGYGMSSA-N 2 2 332.423 3.129 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)c1cccs1 ZINC000155102379 454963629 /nfs/dbraw/zinc/96/36/29/454963629.db2.gz QGKDXZALSLHOQU-GOSISDBHSA-N 2 2 344.528 3.000 20 0 EGADLP C[N@H+](CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000127453668 454966357 /nfs/dbraw/zinc/96/63/57/454966357.db2.gz MWGGHAHXGRRVQN-UHFFFAOYSA-N 3 2 330.520 3.295 20 0 EGADLP C[N@@H+](CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000127453668 454966363 /nfs/dbraw/zinc/96/63/63/454966363.db2.gz MWGGHAHXGRRVQN-UHFFFAOYSA-N 3 2 330.520 3.295 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000178682812 454967650 /nfs/dbraw/zinc/96/76/50/454967650.db2.gz MWVSNKWWTNDWRM-IBGZPJMESA-N 2 2 338.499 3.224 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178682812 454967651 /nfs/dbraw/zinc/96/76/51/454967651.db2.gz MWVSNKWWTNDWRM-IBGZPJMESA-N 2 2 338.499 3.224 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346737 454972484 /nfs/dbraw/zinc/97/24/84/454972484.db2.gz GWPOACDVLYPEJW-LRDDRELGSA-N 2 2 343.298 3.417 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246477727 455498296 /nfs/dbraw/zinc/49/82/96/455498296.db2.gz RBBWMRINTGRBEP-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246477727 455498300 /nfs/dbraw/zinc/49/83/00/455498300.db2.gz RBBWMRINTGRBEP-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000151460699 454987289 /nfs/dbraw/zinc/98/72/89/454987289.db2.gz CMOUNYXLEUNEJF-WMZOPIPTSA-N 2 2 329.469 3.017 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336734 454988065 /nfs/dbraw/zinc/98/80/65/454988065.db2.gz LEOYXLUAGKQLLP-PWIZWCRZSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336734 454988068 /nfs/dbraw/zinc/98/80/68/454988068.db2.gz LEOYXLUAGKQLLP-PWIZWCRZSA-N 2 2 343.515 3.157 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CCOC4)cc3)[nH+]c12 ZINC000178996610 454997343 /nfs/dbraw/zinc/99/73/43/454997343.db2.gz FWNZWJCXYWXBRE-QGZVFWFLSA-N 2 2 337.423 3.100 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000155510635 455010158 /nfs/dbraw/zinc/01/01/58/455010158.db2.gz KPQSUJLHPDAGDX-UHFFFAOYSA-N 2 2 348.874 3.489 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000155510635 455010161 /nfs/dbraw/zinc/01/01/61/455010161.db2.gz KPQSUJLHPDAGDX-UHFFFAOYSA-N 2 2 348.874 3.489 20 0 EGADLP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000171109842 455030644 /nfs/dbraw/zinc/03/06/44/455030644.db2.gz JFLSMHDXPTWDQF-INIZCTEOSA-N 2 2 334.460 3.010 20 0 EGADLP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000171109842 455030649 /nfs/dbraw/zinc/03/06/49/455030649.db2.gz JFLSMHDXPTWDQF-INIZCTEOSA-N 2 2 334.460 3.010 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791952 455031930 /nfs/dbraw/zinc/03/19/30/455031930.db2.gz LMKDRFMNQVOCMU-JLTOFOAXSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791952 455031935 /nfs/dbraw/zinc/03/19/35/455031935.db2.gz LMKDRFMNQVOCMU-JLTOFOAXSA-N 2 2 346.421 3.035 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151802005 455032808 /nfs/dbraw/zinc/03/28/08/455032808.db2.gz ZNYOPLONPFBLSU-LEWJYISDSA-N 2 2 342.458 3.286 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116395871 455054002 /nfs/dbraw/zinc/05/40/02/455054002.db2.gz GKIOCWYIERMJTR-KRWDZBQOSA-N 2 2 333.520 3.452 20 0 EGADLP c1cn2c(cccc2C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)[nH+]1 ZINC000179594645 455060728 /nfs/dbraw/zinc/06/07/28/455060728.db2.gz KONDUPQQPBFIAM-FQEVSTJZSA-N 2 2 335.407 3.346 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152048287 455065833 /nfs/dbraw/zinc/06/58/33/455065833.db2.gz FBKFMNDMAWWWCO-PKOBYXMFSA-N 2 2 333.520 3.213 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152048287 455065837 /nfs/dbraw/zinc/06/58/37/455065837.db2.gz FBKFMNDMAWWWCO-PKOBYXMFSA-N 2 2 333.520 3.213 20 0 EGADLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2cccs2)n1 ZINC000179903035 455096458 /nfs/dbraw/zinc/09/64/58/455096458.db2.gz QVQUTOOBSAPXTR-UHFFFAOYSA-N 2 2 327.457 3.182 20 0 EGADLP CCn1nccc1C[N@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100210 455131985 /nfs/dbraw/zinc/13/19/85/455131985.db2.gz GLTUSVGVDXKJBH-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1nccc1C[N@@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100210 455131990 /nfs/dbraw/zinc/13/19/90/455131990.db2.gz GLTUSVGVDXKJBH-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1nccc1C[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100210 455131994 /nfs/dbraw/zinc/13/19/94/455131994.db2.gz GLTUSVGVDXKJBH-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1nccc1C[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100210 455132000 /nfs/dbraw/zinc/13/20/00/455132000.db2.gz GLTUSVGVDXKJBH-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP Cc1ncsc1C[NH+](C)CC(C)C[N@H+](C)Cc1scnc1C ZINC000172418555 455152871 /nfs/dbraw/zinc/15/28/71/455152871.db2.gz NTNXDSJMQRNDGI-UHFFFAOYSA-N 2 2 338.546 3.416 20 0 EGADLP Cc1ncsc1C[NH+](C)CC(C)C[N@@H+](C)Cc1scnc1C ZINC000172418555 455152874 /nfs/dbraw/zinc/15/28/74/455152874.db2.gz NTNXDSJMQRNDGI-UHFFFAOYSA-N 2 2 338.546 3.416 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157259082 455177547 /nfs/dbraw/zinc/17/75/47/455177547.db2.gz CEPOQINTSKMPHR-MJGOQNOKSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157259082 455177552 /nfs/dbraw/zinc/17/75/52/455177552.db2.gz CEPOQINTSKMPHR-MJGOQNOKSA-N 2 2 335.536 3.022 20 0 EGADLP Cc1sc2nc([C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)nc(N)c2c1C ZINC000181117152 455290738 /nfs/dbraw/zinc/29/07/38/455290738.db2.gz GTMVBLWSOKYSBB-GFCCVEGCSA-N 2 2 344.488 3.170 20 0 EGADLP Cc1sc2nc([C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)nc(N)c2c1C ZINC000181117152 455290741 /nfs/dbraw/zinc/29/07/41/455290741.db2.gz GTMVBLWSOKYSBB-GFCCVEGCSA-N 2 2 344.488 3.170 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157379627 455189564 /nfs/dbraw/zinc/18/95/64/455189564.db2.gz APHIEYJFCPEZBG-LJQANCHMSA-N 2 2 343.515 3.378 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157379627 455189568 /nfs/dbraw/zinc/18/95/68/455189568.db2.gz APHIEYJFCPEZBG-LJQANCHMSA-N 2 2 343.515 3.378 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CCN(CC(F)(F)F)CC3)n2c1 ZINC000189470172 455201732 /nfs/dbraw/zinc/20/17/32/455201732.db2.gz BUTMGDWDVQIZBT-UHFFFAOYSA-N 2 2 340.393 3.007 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157525635 455203888 /nfs/dbraw/zinc/20/38/88/455203888.db2.gz DFAXZYMNEWRBFG-MJGOQNOKSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157525635 455203890 /nfs/dbraw/zinc/20/38/90/455203890.db2.gz DFAXZYMNEWRBFG-MJGOQNOKSA-N 2 2 329.488 3.272 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445453 455303558 /nfs/dbraw/zinc/30/35/58/455303558.db2.gz KKBUJAHDSKJAQY-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445453 455303563 /nfs/dbraw/zinc/30/35/63/455303563.db2.gz KKBUJAHDSKJAQY-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445453 455303565 /nfs/dbraw/zinc/30/35/65/455303565.db2.gz KKBUJAHDSKJAQY-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445453 455303567 /nfs/dbraw/zinc/30/35/67/455303567.db2.gz KKBUJAHDSKJAQY-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245455340 455305303 /nfs/dbraw/zinc/30/53/03/455305303.db2.gz SLRUHIOIGCYQDM-CMKODMSKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245455340 455305308 /nfs/dbraw/zinc/30/53/08/455305308.db2.gz SLRUHIOIGCYQDM-CMKODMSKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245455340 455305313 /nfs/dbraw/zinc/30/53/13/455305313.db2.gz SLRUHIOIGCYQDM-CMKODMSKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245455340 455305314 /nfs/dbraw/zinc/30/53/14/455305314.db2.gz SLRUHIOIGCYQDM-CMKODMSKSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245495729 455313933 /nfs/dbraw/zinc/31/39/33/455313933.db2.gz QAVPNOFQCBVFFE-STQMWFEESA-N 2 2 334.851 3.335 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245495729 455313936 /nfs/dbraw/zinc/31/39/36/455313936.db2.gz QAVPNOFQCBVFFE-STQMWFEESA-N 2 2 334.851 3.335 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173904217 455339874 /nfs/dbraw/zinc/33/98/74/455339874.db2.gz RBCZNANKZJXZQZ-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173904217 455339879 /nfs/dbraw/zinc/33/98/79/455339879.db2.gz RBCZNANKZJXZQZ-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173904217 455339881 /nfs/dbraw/zinc/33/98/81/455339881.db2.gz RBCZNANKZJXZQZ-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173904217 455339884 /nfs/dbraw/zinc/33/98/84/455339884.db2.gz RBCZNANKZJXZQZ-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000159170211 455356982 /nfs/dbraw/zinc/35/69/82/455356982.db2.gz SQQNSEKBDQVAIO-QGZVFWFLSA-N 3 2 342.487 3.024 20 0 EGADLP Cc1cc(C)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000265857515 455394960 /nfs/dbraw/zinc/39/49/60/455394960.db2.gz VZVUSUVYBFZUJO-UHFFFAOYSA-N 2 2 346.519 3.102 20 0 EGADLP Cc1cc(C)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000265857515 455394964 /nfs/dbraw/zinc/39/49/64/455394964.db2.gz VZVUSUVYBFZUJO-UHFFFAOYSA-N 2 2 346.519 3.102 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000266902732 455471786 /nfs/dbraw/zinc/47/17/86/455471786.db2.gz HBGNJDDFTBEXES-CQSZACIVSA-N 2 2 346.862 3.498 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000266902732 455471789 /nfs/dbraw/zinc/47/17/89/455471789.db2.gz HBGNJDDFTBEXES-CQSZACIVSA-N 2 2 346.862 3.498 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@](C)(Cc3ccccc3)[C@H](C)O)n2c1 ZINC000191717829 455512895 /nfs/dbraw/zinc/51/28/95/455512895.db2.gz ZYZSXDBEDAOLAO-LAUBAEHRSA-N 2 2 337.467 3.362 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000267217477 455518602 /nfs/dbraw/zinc/51/86/02/455518602.db2.gz IMMWPNUWEDJUMS-HNNXBMFYSA-N 2 2 341.455 3.190 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000267217477 455518604 /nfs/dbraw/zinc/51/86/04/455518604.db2.gz IMMWPNUWEDJUMS-HNNXBMFYSA-N 2 2 341.455 3.190 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000182638349 455558518 /nfs/dbraw/zinc/55/85/18/455558518.db2.gz DIHNYMFZCNCWGG-MOPGFXCFSA-N 2 2 329.488 3.198 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692209 455570040 /nfs/dbraw/zinc/57/00/40/455570040.db2.gz GMQROGQQJHKOMY-WBVHZDCISA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692209 455570041 /nfs/dbraw/zinc/57/00/41/455570041.db2.gz GMQROGQQJHKOMY-WBVHZDCISA-N 2 2 332.517 3.435 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247304338 455586087 /nfs/dbraw/zinc/58/60/87/455586087.db2.gz UXFFNSKHFAKTJC-ZOBUZTSGSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247304338 455586091 /nfs/dbraw/zinc/58/60/91/455586091.db2.gz UXFFNSKHFAKTJC-ZOBUZTSGSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247304338 455586094 /nfs/dbraw/zinc/58/60/94/455586094.db2.gz UXFFNSKHFAKTJC-ZOBUZTSGSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247304338 455586099 /nfs/dbraw/zinc/58/60/99/455586099.db2.gz UXFFNSKHFAKTJC-ZOBUZTSGSA-N 2 2 347.528 3.152 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000277580350 455605291 /nfs/dbraw/zinc/60/52/91/455605291.db2.gz CESLHMRVYLSWKC-YLJYHZDGSA-N 2 2 343.471 3.352 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000277580350 455605298 /nfs/dbraw/zinc/60/52/98/455605298.db2.gz CESLHMRVYLSWKC-YLJYHZDGSA-N 2 2 343.471 3.352 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247485078 455608898 /nfs/dbraw/zinc/60/88/98/455608898.db2.gz KLYZYQAFUXJWAW-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247485078 455608905 /nfs/dbraw/zinc/60/89/05/455608905.db2.gz KLYZYQAFUXJWAW-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP c1cn(-c2ccccc2C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c[nH+]1 ZINC000292287302 455618783 /nfs/dbraw/zinc/61/87/83/455618783.db2.gz VATPHZYOULRTJG-SFHVURJKSA-N 2 2 336.443 3.402 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000247600424 455629522 /nfs/dbraw/zinc/62/95/22/455629522.db2.gz KWUBHCQLJZERPW-BSDSXHPESA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000247600424 455629525 /nfs/dbraw/zinc/62/95/25/455629525.db2.gz KWUBHCQLJZERPW-BSDSXHPESA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247771881 455645467 /nfs/dbraw/zinc/64/54/67/455645467.db2.gz PJNWTRTXFNLTHG-SJORKVTESA-N 2 2 347.507 3.158 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247771881 455645474 /nfs/dbraw/zinc/64/54/74/455645474.db2.gz PJNWTRTXFNLTHG-SJORKVTESA-N 2 2 347.507 3.158 20 0 EGADLP O[C@H]([C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(F)(F)F ZINC000277812174 455673843 /nfs/dbraw/zinc/67/38/43/455673843.db2.gz QGLGYFIMBXVBBL-GDBMZVCRSA-N 2 2 339.361 3.008 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000248050675 455674845 /nfs/dbraw/zinc/67/48/45/455674845.db2.gz WCAOQADKHWJKOJ-OWCLPIDISA-N 2 2 337.483 3.042 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000248050675 455674849 /nfs/dbraw/zinc/67/48/49/455674849.db2.gz WCAOQADKHWJKOJ-OWCLPIDISA-N 2 2 337.483 3.042 20 0 EGADLP CCc1ncc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000268425870 455680303 /nfs/dbraw/zinc/68/03/03/455680303.db2.gz AGQLMTUYZXCSAA-UHFFFAOYSA-N 2 2 345.516 3.250 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199749 455697606 /nfs/dbraw/zinc/69/76/06/455697606.db2.gz YHHIPHOAIYDSSY-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199749 455697614 /nfs/dbraw/zinc/69/76/14/455697614.db2.gz YHHIPHOAIYDSSY-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248199749 455697619 /nfs/dbraw/zinc/69/76/19/455697619.db2.gz YHHIPHOAIYDSSY-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248199749 455697624 /nfs/dbraw/zinc/69/76/24/455697624.db2.gz YHHIPHOAIYDSSY-RLFYNMQTSA-N 2 2 347.528 3.152 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)oc1C ZINC000292958043 455767847 /nfs/dbraw/zinc/76/78/47/455767847.db2.gz OWYJBAQHMPPELT-XEZPLFJOSA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)oc1C ZINC000292958043 455767852 /nfs/dbraw/zinc/76/78/52/455767852.db2.gz OWYJBAQHMPPELT-XEZPLFJOSA-N 2 2 331.416 3.215 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186456782 455772128 /nfs/dbraw/zinc/77/21/28/455772128.db2.gz KAJIJDZHRZPZIO-HJZRJOMTSA-N 2 2 332.488 3.389 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000252696224 455828964 /nfs/dbraw/zinc/82/89/64/455828964.db2.gz XOLVEYXOTWUOQE-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000252696224 455828971 /nfs/dbraw/zinc/82/89/71/455828971.db2.gz XOLVEYXOTWUOQE-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000252696224 455828978 /nfs/dbraw/zinc/82/89/78/455828978.db2.gz XOLVEYXOTWUOQE-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000252696224 455828982 /nfs/dbraw/zinc/82/89/82/455828982.db2.gz XOLVEYXOTWUOQE-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCSCC1 ZINC000186997847 455861334 /nfs/dbraw/zinc/86/13/34/455861334.db2.gz VZWLSSRALWHRDU-OAHLLOKOSA-N 2 2 328.591 3.469 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@@H+]1C ZINC000285745365 455908208 /nfs/dbraw/zinc/90/82/08/455908208.db2.gz RQABRKSTHDHZFZ-GXSJLCMTSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@H+]1C ZINC000285745365 455908212 /nfs/dbraw/zinc/90/82/12/455908212.db2.gz RQABRKSTHDHZFZ-GXSJLCMTSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000261590263 455910237 /nfs/dbraw/zinc/91/02/37/455910237.db2.gz LFMAIDRBKLSVHI-AWEZNQCLSA-N 2 2 347.684 3.152 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000280193671 455913326 /nfs/dbraw/zinc/91/33/26/455913326.db2.gz HJFAFJVVQDJCIC-KRXQYRFLSA-N 2 2 332.488 3.268 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000280193671 455913330 /nfs/dbraw/zinc/91/33/30/455913330.db2.gz HJFAFJVVQDJCIC-KRXQYRFLSA-N 2 2 332.488 3.268 20 0 EGADLP C[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195031701 455914622 /nfs/dbraw/zinc/91/46/22/455914622.db2.gz DWTIGDWDVWDHQA-LPHOPBHVSA-N 2 2 335.455 3.004 20 0 EGADLP C[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195031701 455914626 /nfs/dbraw/zinc/91/46/26/455914626.db2.gz DWTIGDWDVWDHQA-LPHOPBHVSA-N 2 2 335.455 3.004 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccnc1 ZINC000272330461 455915169 /nfs/dbraw/zinc/91/51/69/455915169.db2.gz XUCZNACKQRPDCA-OAHLLOKOSA-N 2 2 325.460 3.180 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000280223981 455920891 /nfs/dbraw/zinc/92/08/91/455920891.db2.gz LPPLFVNKUILJJT-FQEVSTJZSA-N 2 2 348.450 3.208 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261755562 455942057 /nfs/dbraw/zinc/94/20/57/455942057.db2.gz UJXLIGSLBUZYIS-LRDDRELGSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261755562 455942059 /nfs/dbraw/zinc/94/20/59/455942059.db2.gz UJXLIGSLBUZYIS-LRDDRELGSA-N 2 2 346.272 3.181 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1-n1ccnn1 ZINC000285953903 455948687 /nfs/dbraw/zinc/94/86/87/455948687.db2.gz GHPWWFLFSVKTQT-MRXNPFEDSA-N 2 2 336.443 3.205 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000296482990 455950502 /nfs/dbraw/zinc/95/05/02/455950502.db2.gz PGSXFDAXCXWZII-QFBILLFUSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000296482990 455950504 /nfs/dbraw/zinc/95/05/04/455950504.db2.gz PGSXFDAXCXWZII-QFBILLFUSA-N 2 2 326.488 3.464 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OC(F)F ZINC000261812903 455952072 /nfs/dbraw/zinc/95/20/72/455952072.db2.gz VUEIKWSCAUTIQZ-JSGCOSHPSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OC(F)F ZINC000261812903 455952075 /nfs/dbraw/zinc/95/20/75/455952075.db2.gz VUEIKWSCAUTIQZ-JSGCOSHPSA-N 2 2 328.403 3.246 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000261869896 455962673 /nfs/dbraw/zinc/96/26/73/455962673.db2.gz SWGHEUCDQIOSFE-MRXNPFEDSA-N 2 2 334.261 3.168 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000261869896 455962677 /nfs/dbraw/zinc/96/26/77/455962677.db2.gz SWGHEUCDQIOSFE-MRXNPFEDSA-N 2 2 334.261 3.168 20 0 EGADLP Cc1ncc(C[N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000286088438 455974642 /nfs/dbraw/zinc/97/46/42/455974642.db2.gz UBICNEIWIQBCOH-UHFFFAOYSA-N 2 2 344.528 3.096 20 0 EGADLP Cc1ncc(C[N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000286088438 455974647 /nfs/dbraw/zinc/97/46/47/455974647.db2.gz UBICNEIWIQBCOH-UHFFFAOYSA-N 2 2 344.528 3.096 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3Br)C[C@@H]21 ZINC000261973668 455979741 /nfs/dbraw/zinc/97/97/41/455979741.db2.gz QPFJKJMEGQPNCC-ZIBATOQPSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3Br)C[C@@H]21 ZINC000261973668 455979746 /nfs/dbraw/zinc/97/97/46/455979746.db2.gz QPFJKJMEGQPNCC-ZIBATOQPSA-N 2 2 327.241 3.147 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262057699 455990922 /nfs/dbraw/zinc/99/09/22/455990922.db2.gz QTDDXIAOKCJKSR-KBXCAEBGSA-N 2 2 342.487 3.093 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262057699 455990926 /nfs/dbraw/zinc/99/09/26/455990926.db2.gz QTDDXIAOKCJKSR-KBXCAEBGSA-N 2 2 342.487 3.093 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@H]1[NH3+] ZINC000262130379 456002250 /nfs/dbraw/zinc/00/22/50/456002250.db2.gz YBZABLQAQMKOSP-SCLBCKFNSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@H]1[NH3+] ZINC000262130379 456002253 /nfs/dbraw/zinc/00/22/53/456002253.db2.gz YBZABLQAQMKOSP-SCLBCKFNSA-N 2 2 343.858 3.371 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634306 456020857 /nfs/dbraw/zinc/02/08/57/456020857.db2.gz NNGSQUGHKPWCJC-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634306 456020861 /nfs/dbraw/zinc/02/08/61/456020861.db2.gz NNGSQUGHKPWCJC-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634306 456020865 /nfs/dbraw/zinc/02/08/65/456020865.db2.gz NNGSQUGHKPWCJC-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634306 456020868 /nfs/dbraw/zinc/02/08/68/456020868.db2.gz NNGSQUGHKPWCJC-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000262356923 456028371 /nfs/dbraw/zinc/02/83/71/456028371.db2.gz VZJAEDSHDMRTKC-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)CC[NH2+]1 ZINC000262397942 456032453 /nfs/dbraw/zinc/03/24/53/456032453.db2.gz NSYPVKIHCKZOAZ-STQMWFEESA-N 2 2 328.460 3.197 20 0 EGADLP COCc1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272667614 456032607 /nfs/dbraw/zinc/03/26/07/456032607.db2.gz JNKRUXXQACPTPO-UHFFFAOYSA-N 2 2 330.394 3.339 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700097 456044379 /nfs/dbraw/zinc/04/43/79/456044379.db2.gz YLNUOTFMUNBUEL-YLJYHZDGSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700097 456044384 /nfs/dbraw/zinc/04/43/84/456044384.db2.gz YLNUOTFMUNBUEL-YLJYHZDGSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700097 456044388 /nfs/dbraw/zinc/04/43/88/456044388.db2.gz YLNUOTFMUNBUEL-YLJYHZDGSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700097 456044394 /nfs/dbraw/zinc/04/43/94/456044394.db2.gz YLNUOTFMUNBUEL-YLJYHZDGSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344106 456115881 /nfs/dbraw/zinc/11/58/81/456115881.db2.gz UXKXWJMBUBXHCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344106 456115887 /nfs/dbraw/zinc/11/58/87/456115887.db2.gz UXKXWJMBUBXHCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344106 456115890 /nfs/dbraw/zinc/11/58/90/456115890.db2.gz UXKXWJMBUBXHCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344106 456115896 /nfs/dbraw/zinc/11/58/96/456115896.db2.gz UXKXWJMBUBXHCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000297150219 456132732 /nfs/dbraw/zinc/13/27/32/456132732.db2.gz ZXLRUIMQSYEUBZ-DOTOQJQBSA-N 2 2 333.476 3.310 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCC[N@H+](CCCO)C3)ccc2c1 ZINC000297193931 456147214 /nfs/dbraw/zinc/14/72/14/456147214.db2.gz FPCIZNGFPPMMLO-UZLBHIALSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+][C@H]3CCC[N@@H+](CCCO)C3)ccc2c1 ZINC000297193931 456147218 /nfs/dbraw/zinc/14/72/18/456147218.db2.gz FPCIZNGFPPMMLO-UZLBHIALSA-N 2 2 342.483 3.346 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000289862344 456159281 /nfs/dbraw/zinc/15/92/81/456159281.db2.gz VXVFYHSHGCEVSU-MRXNPFEDSA-N 2 2 330.501 3.158 20 0 EGADLP c1[nH]cc(C2CC[NH+](Cc3ccc4c(c3)OCCCCO4)CC2)[nH+]1 ZINC000333318363 456198922 /nfs/dbraw/zinc/19/89/22/456198922.db2.gz OWZKRBFVVUOQSY-UHFFFAOYSA-N 2 2 327.428 3.341 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000301733502 456200286 /nfs/dbraw/zinc/20/02/86/456200286.db2.gz UFCFQFJBYCLSLJ-QGZVFWFLSA-N 2 2 325.456 3.092 20 0 EGADLP Fc1ccc(-c2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)no2)c(F)c1 ZINC000189072282 456217780 /nfs/dbraw/zinc/21/77/80/456217780.db2.gz ILUSSJFSGIBYSV-UHFFFAOYSA-N 2 2 345.353 3.048 20 0 EGADLP Nc1nc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]c2ccccc12 ZINC000301882750 456242294 /nfs/dbraw/zinc/24/22/94/456242294.db2.gz NBBJXCKRSIXFPX-UHFFFAOYSA-N 2 2 325.460 3.279 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(Br)s2)s1 ZINC000352766335 456288981 /nfs/dbraw/zinc/28/89/81/456288981.db2.gz WFIDVUSTFLVADP-UHFFFAOYSA-N 2 2 346.319 3.319 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000290317868 456289132 /nfs/dbraw/zinc/28/91/32/456289132.db2.gz JGGAEDWBSRLHTL-ZOBUZTSGSA-N 2 2 345.512 3.339 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000290317868 456289136 /nfs/dbraw/zinc/28/91/36/456289136.db2.gz JGGAEDWBSRLHTL-ZOBUZTSGSA-N 2 2 345.512 3.339 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275746393 456302754 /nfs/dbraw/zinc/30/27/54/456302754.db2.gz ZKGYCBNTZYEKSD-UHFFFAOYSA-N 2 2 336.439 3.088 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)s1 ZINC000290359352 456303960 /nfs/dbraw/zinc/30/39/60/456303960.db2.gz MQZWLJHENXWUKU-ZIAGYGMSSA-N 2 2 333.501 3.415 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)s1 ZINC000352785411 456305131 /nfs/dbraw/zinc/30/51/31/456305131.db2.gz GBPAXAFLQIPDCS-CQSZACIVSA-N 2 2 348.491 3.102 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1OC ZINC000336789527 456308506 /nfs/dbraw/zinc/30/85/06/456308506.db2.gz JHZZXZPBRLUSPE-LPHOPBHVSA-N 2 2 340.467 3.456 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1OC ZINC000336789527 456308515 /nfs/dbraw/zinc/30/85/15/456308515.db2.gz JHZZXZPBRLUSPE-LPHOPBHVSA-N 2 2 340.467 3.456 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793173 456310131 /nfs/dbraw/zinc/31/01/31/456310131.db2.gz VSGIFKFSCNWJOI-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793173 456310136 /nfs/dbraw/zinc/31/01/36/456310136.db2.gz VSGIFKFSCNWJOI-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793173 456310144 /nfs/dbraw/zinc/31/01/44/456310144.db2.gz VSGIFKFSCNWJOI-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793173 456310149 /nfs/dbraw/zinc/31/01/49/456310149.db2.gz VSGIFKFSCNWJOI-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347702057 456314413 /nfs/dbraw/zinc/31/44/13/456314413.db2.gz IRBNNVCSFMUJMY-UHFFFAOYSA-N 3 2 326.488 3.089 20 0 EGADLP C[N@H+](Cc1c[nH]c2nccnc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290392885 456315026 /nfs/dbraw/zinc/31/50/26/456315026.db2.gz JOMQODRURIYHSU-UHFFFAOYSA-N 2 2 335.455 3.054 20 0 EGADLP C[N@@H+](Cc1c[nH]c2nccnc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000290392885 456315028 /nfs/dbraw/zinc/31/50/28/456315028.db2.gz JOMQODRURIYHSU-UHFFFAOYSA-N 2 2 335.455 3.054 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000352799231 456319120 /nfs/dbraw/zinc/31/91/20/456319120.db2.gz LRJMUQKQOHJSAA-GOSISDBHSA-N 2 2 344.499 3.417 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000352799231 456319123 /nfs/dbraw/zinc/31/91/23/456319123.db2.gz LRJMUQKQOHJSAA-GOSISDBHSA-N 2 2 344.499 3.417 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000290436558 456328996 /nfs/dbraw/zinc/32/89/96/456328996.db2.gz RYACXMCQMACYRR-HUUCEWRRSA-N 2 2 333.501 3.197 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000290436558 456329004 /nfs/dbraw/zinc/32/90/04/456329004.db2.gz RYACXMCQMACYRR-HUUCEWRRSA-N 2 2 333.501 3.197 20 0 EGADLP CN(C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000340254006 456342894 /nfs/dbraw/zinc/34/28/94/456342894.db2.gz FYTPUSIDOCRXJE-AZUAARDMSA-N 2 2 343.515 3.203 20 0 EGADLP CN(C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000340254006 456342899 /nfs/dbraw/zinc/34/28/99/456342899.db2.gz FYTPUSIDOCRXJE-AZUAARDMSA-N 2 2 343.515 3.203 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000352828146 456343898 /nfs/dbraw/zinc/34/38/98/456343898.db2.gz XKMRMQIPABNOJI-KRWDZBQOSA-N 2 2 349.482 3.275 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000352828146 456343902 /nfs/dbraw/zinc/34/39/02/456343902.db2.gz XKMRMQIPABNOJI-KRWDZBQOSA-N 2 2 349.482 3.275 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340256646 456344198 /nfs/dbraw/zinc/34/41/98/456344198.db2.gz QFNSJIJTBZJTLI-BZSNNMDCSA-N 2 2 339.487 3.101 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340256646 456344206 /nfs/dbraw/zinc/34/42/06/456344206.db2.gz QFNSJIJTBZJTLI-BZSNNMDCSA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H](C[NH2+]Cc1c(F)ccc(Br)c1F)Cn1cc[nH+]c1 ZINC000281881446 456348995 /nfs/dbraw/zinc/34/89/95/456348995.db2.gz DHOYROMRKQHFLR-SNVBAGLBSA-N 2 2 344.203 3.350 20 0 EGADLP COc1cccc2c(NC[C@@H](C(C)C)[NH+]3CCOCC3)cc[nH+]c12 ZINC000302491357 456349093 /nfs/dbraw/zinc/34/90/93/456349093.db2.gz ZCYXLMCXDDFUFK-KRWDZBQOSA-N 2 2 329.444 3.012 20 0 EGADLP c1c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839303 456354093 /nfs/dbraw/zinc/35/40/93/456354093.db2.gz PHXKWGJKTZSGTO-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839303 456354096 /nfs/dbraw/zinc/35/40/96/456354096.db2.gz PHXKWGJKTZSGTO-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839303 456354101 /nfs/dbraw/zinc/35/41/01/456354101.db2.gz PHXKWGJKTZSGTO-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839303 456354105 /nfs/dbraw/zinc/35/41/05/456354105.db2.gz PHXKWGJKTZSGTO-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1)C1CC1 ZINC000337544660 456369286 /nfs/dbraw/zinc/36/92/86/456369286.db2.gz NENQOCSIWRODOC-UHFFFAOYSA-N 2 2 325.412 3.327 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1)C1CC1 ZINC000337544660 456369290 /nfs/dbraw/zinc/36/92/90/456369290.db2.gz NENQOCSIWRODOC-UHFFFAOYSA-N 2 2 325.412 3.327 20 0 EGADLP Fc1cc(Br)c(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000298160150 456378583 /nfs/dbraw/zinc/37/85/83/456378583.db2.gz SKWJYKPUADBRCG-UHFFFAOYSA-N 2 2 345.231 3.444 20 0 EGADLP CC(C)c1nc(NC[C@@H](O)C[NH+]2CCCCC2)cc(C(C)(C)C)[nH+]1 ZINC000302785028 456400446 /nfs/dbraw/zinc/40/04/46/456400446.db2.gz MJFLNJKXKPJSHX-OAHLLOKOSA-N 2 2 334.508 3.156 20 0 EGADLP [NH3+]CC[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000282080313 456408205 /nfs/dbraw/zinc/40/82/05/456408205.db2.gz XQTVMRFXDBFMEC-OAHLLOKOSA-N 2 2 325.412 3.075 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352929401 456421078 /nfs/dbraw/zinc/42/10/78/456421078.db2.gz GUUKPQZNQMOXLJ-FPOVZHCZSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000352929401 456421084 /nfs/dbraw/zinc/42/10/84/456421084.db2.gz GUUKPQZNQMOXLJ-FPOVZHCZSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352929401 456421090 /nfs/dbraw/zinc/42/10/90/456421090.db2.gz GUUKPQZNQMOXLJ-FPOVZHCZSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352929401 456421094 /nfs/dbraw/zinc/42/10/94/456421094.db2.gz GUUKPQZNQMOXLJ-FPOVZHCZSA-N 2 2 338.499 3.074 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@H]1c1ccccc1 ZINC000340381393 456427014 /nfs/dbraw/zinc/42/70/14/456427014.db2.gz XELFLIFWHYYMJH-FPOVZHCZSA-N 2 2 349.478 3.348 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@H]1c1ccccc1 ZINC000340381393 456427020 /nfs/dbraw/zinc/42/70/20/456427020.db2.gz XELFLIFWHYYMJH-FPOVZHCZSA-N 2 2 349.478 3.348 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000352997583 456437039 /nfs/dbraw/zinc/43/70/39/456437039.db2.gz AGPBSGJASFTSSG-UHFFFAOYSA-N 2 2 347.846 3.252 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1 ZINC000282267389 456461273 /nfs/dbraw/zinc/46/12/73/456461273.db2.gz KICMVVUTMSMTCL-RHSMWYFYSA-N 2 2 326.444 3.101 20 0 EGADLP COCc1cc(N2CCC[C@H]([NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000290905352 456462908 /nfs/dbraw/zinc/46/29/08/456462908.db2.gz FXGUTKAOIRCPJM-INIZCTEOSA-N 2 2 331.435 3.441 20 0 EGADLP COCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000340443211 456465418 /nfs/dbraw/zinc/46/54/18/456465418.db2.gz DVYFKJMLXSRDPH-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000340443211 456465423 /nfs/dbraw/zinc/46/54/23/456465423.db2.gz DVYFKJMLXSRDPH-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000340476053 456482890 /nfs/dbraw/zinc/48/28/90/456482890.db2.gz GPGGZDCOGBFIKV-GPJFCIFZSA-N 3 2 327.516 3.256 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000340476053 456482898 /nfs/dbraw/zinc/48/28/98/456482898.db2.gz GPGGZDCOGBFIKV-GPJFCIFZSA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340476053 456482906 /nfs/dbraw/zinc/48/29/06/456482906.db2.gz GPGGZDCOGBFIKV-GPJFCIFZSA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340476053 456482917 /nfs/dbraw/zinc/48/29/17/456482917.db2.gz GPGGZDCOGBFIKV-GPJFCIFZSA-N 3 2 327.516 3.256 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCN(c4ccccc4F)C3)n2c1 ZINC000290993229 456489800 /nfs/dbraw/zinc/48/98/00/456489800.db2.gz AGIGHPLTJKLPLY-INIZCTEOSA-N 2 2 338.430 3.398 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)n1-c1ccccc1 ZINC000291002144 456491920 /nfs/dbraw/zinc/49/19/20/456491920.db2.gz WBPZMIOOPWDZCC-KRWDZBQOSA-N 2 2 341.846 3.478 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)n1-c1ccccc1 ZINC000291002144 456491925 /nfs/dbraw/zinc/49/19/25/456491925.db2.gz WBPZMIOOPWDZCC-KRWDZBQOSA-N 2 2 341.846 3.478 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)[N@H+](C)Cc1ccccc1 ZINC000348127473 456502269 /nfs/dbraw/zinc/50/22/69/456502269.db2.gz SFPUZHFEQRFTRX-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)[N@@H+](C)Cc1ccccc1 ZINC000348127473 456502279 /nfs/dbraw/zinc/50/22/79/456502279.db2.gz SFPUZHFEQRFTRX-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(N2CCCNC2=O)cc1 ZINC000291065215 456515939 /nfs/dbraw/zinc/51/59/39/456515939.db2.gz KQCGVZPGGRVJPL-HNNXBMFYSA-N 2 2 349.438 3.105 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000276581101 456520809 /nfs/dbraw/zinc/52/08/09/456520809.db2.gz LQLQYNSSGDZFIN-UCFODXPJSA-N 2 2 338.455 3.012 20 0 EGADLP COCCN(C)c1ccc(CNc2cc(C)cc(C[NH+](C)C)c2)c[nH+]1 ZINC000276651416 456543158 /nfs/dbraw/zinc/54/31/58/456543158.db2.gz TXYGUSSNKNRWKA-UHFFFAOYSA-N 2 2 342.487 3.146 20 0 EGADLP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000282548983 456548131 /nfs/dbraw/zinc/54/81/31/456548131.db2.gz XASKZJFDMLDEPK-QGZVFWFLSA-N 2 2 344.421 3.343 20 0 EGADLP C[C@@H]1[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@@H+]1C ZINC000337812322 456562718 /nfs/dbraw/zinc/56/27/18/456562718.db2.gz MDUZKBOJEMWKPP-RHSMWYFYSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H]1[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@H+]1C ZINC000337812322 456562720 /nfs/dbraw/zinc/56/27/20/456562720.db2.gz MDUZKBOJEMWKPP-RHSMWYFYSA-N 2 2 325.412 3.086 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000348243344 456563897 /nfs/dbraw/zinc/56/38/97/456563897.db2.gz LILBSCKCKACLCV-GXRSIYKFSA-N 2 2 336.479 3.015 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000348243344 456563902 /nfs/dbraw/zinc/56/39/02/456563902.db2.gz LILBSCKCKACLCV-GXRSIYKFSA-N 2 2 336.479 3.015 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000282617427 456569522 /nfs/dbraw/zinc/56/95/22/456569522.db2.gz NZSHINUYYAVVPM-OAHLLOKOSA-N 2 2 332.879 3.179 20 0 EGADLP O=C(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000312067195 456591201 /nfs/dbraw/zinc/59/12/01/456591201.db2.gz LMCKWSPIQZABMM-VQTJNVASSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000312067195 456591208 /nfs/dbraw/zinc/59/12/08/456591208.db2.gz LMCKWSPIQZABMM-VQTJNVASSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000312067195 456591213 /nfs/dbraw/zinc/59/12/13/456591213.db2.gz LMCKWSPIQZABMM-VQTJNVASSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000312067195 456591218 /nfs/dbraw/zinc/59/12/18/456591218.db2.gz LMCKWSPIQZABMM-VQTJNVASSA-N 2 2 349.478 3.079 20 0 EGADLP Cc1ncc(C[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348325816 456624396 /nfs/dbraw/zinc/62/43/96/456624396.db2.gz WPJLLGCKMLPPKT-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1ncc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348325816 456624404 /nfs/dbraw/zinc/62/44/04/456624404.db2.gz WPJLLGCKMLPPKT-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000299352646 456665321 /nfs/dbraw/zinc/66/53/21/456665321.db2.gz PHWFUHSJHNUFQM-RDJZCZTQSA-N 2 2 347.459 3.161 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@@H](C)C1 ZINC000299352646 456665326 /nfs/dbraw/zinc/66/53/26/456665326.db2.gz PHWFUHSJHNUFQM-RDJZCZTQSA-N 2 2 347.459 3.161 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000282992486 456683093 /nfs/dbraw/zinc/68/30/93/456683093.db2.gz FQWATWDAAWFGNS-WBCYEJBOSA-N 2 2 342.483 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000282992486 456683098 /nfs/dbraw/zinc/68/30/98/456683098.db2.gz FQWATWDAAWFGNS-WBCYEJBOSA-N 2 2 342.483 3.241 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000353436080 456696991 /nfs/dbraw/zinc/69/69/91/456696991.db2.gz NSBCMCBHJCYVPD-QGZVFWFLSA-N 2 2 325.456 3.073 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)[N@H+](C)Cc1ccccc1 ZINC000353514230 456727878 /nfs/dbraw/zinc/72/78/78/456727878.db2.gz BUEQTPPNYQIAQA-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)[N@@H+](C)Cc1ccccc1 ZINC000353514230 456727887 /nfs/dbraw/zinc/72/78/87/456727887.db2.gz BUEQTPPNYQIAQA-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274950 456754441 /nfs/dbraw/zinc/75/44/41/456754441.db2.gz RXPCMTPQTKHRCL-XJKSGUPXSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274950 456754447 /nfs/dbraw/zinc/75/44/47/456754447.db2.gz RXPCMTPQTKHRCL-XJKSGUPXSA-N 2 2 331.287 3.443 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280996 456757484 /nfs/dbraw/zinc/75/74/84/456757484.db2.gz SJNMVDLHMXXGTH-QUCCMNQESA-N 2 2 349.494 3.055 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280996 456757489 /nfs/dbraw/zinc/75/74/89/456757489.db2.gz SJNMVDLHMXXGTH-QUCCMNQESA-N 2 2 349.494 3.055 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771665 456772545 /nfs/dbraw/zinc/77/25/45/456772545.db2.gz RGGBMGAIEPYELD-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771665 456772560 /nfs/dbraw/zinc/77/25/60/456772560.db2.gz RGGBMGAIEPYELD-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771665 456772563 /nfs/dbraw/zinc/77/25/63/456772563.db2.gz RGGBMGAIEPYELD-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329034104 456819131 /nfs/dbraw/zinc/81/91/31/456819131.db2.gz QPFOHJUAYHBSOI-NQUFMGSDSA-N 2 2 344.503 3.029 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000292015364 456831231 /nfs/dbraw/zinc/83/12/31/456831231.db2.gz DSQVORQUKZYMOZ-MAUKXSAKSA-N 2 2 349.906 3.077 20 0 EGADLP CC(C)[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)[NH+]1CCC(C)CC1 ZINC000353672588 456845702 /nfs/dbraw/zinc/84/57/02/456845702.db2.gz ABWHXSQOJKTZFU-QGZVFWFLSA-N 2 2 343.475 3.212 20 0 EGADLP CCc1oc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948138 456868229 /nfs/dbraw/zinc/86/82/29/456868229.db2.gz MCMNBUZHKFCQFU-KSSFIOAISA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948138 456868235 /nfs/dbraw/zinc/86/82/35/456868235.db2.gz MCMNBUZHKFCQFU-KSSFIOAISA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948138 456868240 /nfs/dbraw/zinc/86/82/40/456868240.db2.gz MCMNBUZHKFCQFU-KSSFIOAISA-N 2 2 346.471 3.077 20 0 EGADLP C[C@@H]1CN(Cc2cccc(F)c2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000339061663 456921836 /nfs/dbraw/zinc/92/18/36/456921836.db2.gz NTIMLSDUAJRDKA-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2cccc(F)c2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000339061663 456921839 /nfs/dbraw/zinc/92/18/39/456921839.db2.gz NTIMLSDUAJRDKA-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945794 /nfs/dbraw/zinc/94/57/94/456945794.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 3 2 347.547 3.016 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945795 /nfs/dbraw/zinc/94/57/95/456945795.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 3 2 347.547 3.016 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@H](CC[N@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945796 /nfs/dbraw/zinc/94/57/96/456945796.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 3 2 347.547 3.016 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@H](CC[N@@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155694 456945797 /nfs/dbraw/zinc/94/57/97/456945797.db2.gz CTFJDFGVRLDDJY-SESVDKBCSA-N 3 2 347.547 3.016 20 0 EGADLP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(Cl)c1OC ZINC000349405091 456962773 /nfs/dbraw/zinc/96/27/73/456962773.db2.gz HUNAVAGNPKLNBD-UHFFFAOYSA-N 2 2 337.851 3.466 20 0 EGADLP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(Cl)c1OC ZINC000349405091 456962775 /nfs/dbraw/zinc/96/27/75/456962775.db2.gz HUNAVAGNPKLNBD-UHFFFAOYSA-N 2 2 337.851 3.466 20 0 EGADLP CC[C@H](C[NH2+]CCC(C)(C)C(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000353935120 456971983 /nfs/dbraw/zinc/97/19/83/456971983.db2.gz VJKLPHGCNOLUKZ-GOSISDBHSA-N 2 2 332.488 3.002 20 0 EGADLP CC[C@H](C[NH2+]CCC(C)(C)C(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000353935120 456971986 /nfs/dbraw/zinc/97/19/86/456971986.db2.gz VJKLPHGCNOLUKZ-GOSISDBHSA-N 2 2 332.488 3.002 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000354043629 457030012 /nfs/dbraw/zinc/03/00/12/457030012.db2.gz APDPTYCFHWEUKD-UHFFFAOYSA-N 2 2 335.923 3.330 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354100403 457061905 /nfs/dbraw/zinc/06/19/05/457061905.db2.gz MDMIUNJWQHOCRA-MRXNPFEDSA-N 2 2 336.549 3.153 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354100403 457061907 /nfs/dbraw/zinc/06/19/07/457061907.db2.gz MDMIUNJWQHOCRA-MRXNPFEDSA-N 2 2 336.549 3.153 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354100403 457061911 /nfs/dbraw/zinc/06/19/11/457061911.db2.gz MDMIUNJWQHOCRA-MRXNPFEDSA-N 2 2 336.549 3.153 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354100403 457061912 /nfs/dbraw/zinc/06/19/12/457061912.db2.gz MDMIUNJWQHOCRA-MRXNPFEDSA-N 2 2 336.549 3.153 20 0 EGADLP CC(C)n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)nn1 ZINC000342067548 457088999 /nfs/dbraw/zinc/08/89/99/457088999.db2.gz VRMNOXVZUSFIGE-UHFFFAOYSA-N 2 2 341.503 3.381 20 0 EGADLP CN(CC1CCN(c2cc[nH+]cc2)CC1)c1[nH+]c2ccccc2n1C ZINC000346657626 457097284 /nfs/dbraw/zinc/09/72/84/457097284.db2.gz OSUFUCPSLOKKPE-UHFFFAOYSA-N 2 2 335.455 3.321 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)nc(=O)c2c1C ZINC000342138934 457130892 /nfs/dbraw/zinc/13/08/92/457130892.db2.gz SHCNPZYISHOFGB-SCUASFONSA-N 2 2 346.500 3.134 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)nc(=O)c2c1C ZINC000342138934 457130900 /nfs/dbraw/zinc/13/09/00/457130900.db2.gz SHCNPZYISHOFGB-SCUASFONSA-N 2 2 346.500 3.134 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000350014764 457143705 /nfs/dbraw/zinc/14/37/05/457143705.db2.gz XUDCMZKWHMSCMO-UHFFFAOYSA-N 2 2 336.501 3.096 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000350014764 457143712 /nfs/dbraw/zinc/14/37/12/457143712.db2.gz XUDCMZKWHMSCMO-UHFFFAOYSA-N 2 2 336.501 3.096 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000356780440 457164559 /nfs/dbraw/zinc/16/45/59/457164559.db2.gz OVHLHOKFXCXGFL-OAHLLOKOSA-N 2 2 342.487 3.149 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000356780440 457164561 /nfs/dbraw/zinc/16/45/61/457164561.db2.gz OVHLHOKFXCXGFL-OAHLLOKOSA-N 2 2 342.487 3.149 20 0 EGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000359960504 457172165 /nfs/dbraw/zinc/17/21/65/457172165.db2.gz YBIYLJFIHXPGHI-UHFFFAOYSA-N 2 2 338.398 3.283 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000359960504 457172169 /nfs/dbraw/zinc/17/21/69/457172169.db2.gz YBIYLJFIHXPGHI-UHFFFAOYSA-N 2 2 338.398 3.283 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)CC3 ZINC000346808341 457177746 /nfs/dbraw/zinc/17/77/46/457177746.db2.gz NQYTXADSRLNQGP-IYOUNJFTSA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)CC3 ZINC000346808341 457177751 /nfs/dbraw/zinc/17/77/51/457177751.db2.gz NQYTXADSRLNQGP-IYOUNJFTSA-N 2 2 327.472 3.106 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000360052815 457226750 /nfs/dbraw/zinc/22/67/50/457226750.db2.gz CKHSECBRQKMVII-DZGCQCFKSA-N 2 2 348.516 3.374 20 0 EGADLP Cc1cc(N(CC[NH+](C)C)Cc2cccc(F)c2)nc(C2CC2)[nH+]1 ZINC000347102433 457229298 /nfs/dbraw/zinc/22/92/98/457229298.db2.gz NEAIGXDQQPIMDB-UHFFFAOYSA-N 2 2 328.435 3.370 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c[nH+]1 ZINC000354468285 457243300 /nfs/dbraw/zinc/24/33/00/457243300.db2.gz SXZZYAMNRAEWBR-HKBOAZHASA-N 2 2 349.478 3.069 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000339830056 457297120 /nfs/dbraw/zinc/29/71/20/457297120.db2.gz KHEAZTAXTHCKBV-UHFFFAOYSA-N 2 2 345.874 3.370 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c[nH+]1 ZINC000354650588 457297741 /nfs/dbraw/zinc/29/77/41/457297741.db2.gz BHUCJOGIICJJOD-IRXDYDNUSA-N 2 2 342.443 3.093 20 0 EGADLP CCn1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000347269955 457322372 /nfs/dbraw/zinc/32/23/72/457322372.db2.gz KEOKTBRLUXTOPX-OAHLLOKOSA-N 2 2 342.491 3.002 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000363451856 457333951 /nfs/dbraw/zinc/33/39/51/457333951.db2.gz YCJSIBVMONJVIM-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000363451856 457333961 /nfs/dbraw/zinc/33/39/61/457333961.db2.gz YCJSIBVMONJVIM-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320036 457351373 /nfs/dbraw/zinc/35/13/73/457351373.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320036 457351375 /nfs/dbraw/zinc/35/13/75/457351375.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320036 457351378 /nfs/dbraw/zinc/35/13/78/457351378.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320036 457351381 /nfs/dbraw/zinc/35/13/81/457351381.db2.gz PKPFAOUVXANCLD-ZMWHVPEISA-N 3 2 327.516 3.112 20 0 EGADLP CCC[N@@H+]1CC[C@H](CNc2cc(COC)[nH+]c3ccc(F)cc23)C1 ZINC000357180637 457362373 /nfs/dbraw/zinc/36/23/73/457362373.db2.gz GQRBFCJDWGAEGA-CQSZACIVSA-N 2 2 331.435 3.086 20 0 EGADLP CCC[N@H+]1CC[C@H](CNc2cc(COC)[nH+]c3ccc(F)cc23)C1 ZINC000357180637 457362379 /nfs/dbraw/zinc/36/23/79/457362379.db2.gz GQRBFCJDWGAEGA-CQSZACIVSA-N 2 2 331.435 3.086 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000352433904 457363836 /nfs/dbraw/zinc/36/38/36/457363836.db2.gz YZUSOKSCAYQLDR-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000352433904 457363842 /nfs/dbraw/zinc/36/38/42/457363842.db2.gz YZUSOKSCAYQLDR-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000352433904 457363849 /nfs/dbraw/zinc/36/38/49/457363849.db2.gz YZUSOKSCAYQLDR-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000352433904 457363856 /nfs/dbraw/zinc/36/38/56/457363856.db2.gz YZUSOKSCAYQLDR-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1nc(CCc2ccccc2)no1)CC1CCCC1 ZINC000352496703 457415442 /nfs/dbraw/zinc/41/54/42/457415442.db2.gz YLSYDWUOCQGLCW-UHFFFAOYSA-N 2 2 342.487 3.196 20 0 EGADLP [NH3+]CCC[N@H+](Cc1nc(CCc2ccccc2)no1)CC1CCCC1 ZINC000352496703 457415451 /nfs/dbraw/zinc/41/54/51/457415451.db2.gz YLSYDWUOCQGLCW-UHFFFAOYSA-N 2 2 342.487 3.196 20 0 EGADLP [NH3+]C1(CNC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CCC1 ZINC000342665627 457439471 /nfs/dbraw/zinc/43/94/71/457439471.db2.gz QUENYXUUDYLTTF-UHFFFAOYSA-N 2 2 340.471 3.082 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000352535558 457446110 /nfs/dbraw/zinc/44/61/10/457446110.db2.gz SCJCRVPKDCFDDO-OAQYLSRUSA-N 2 2 336.483 3.425 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000352535558 457446115 /nfs/dbraw/zinc/44/61/15/457446115.db2.gz SCJCRVPKDCFDDO-OAQYLSRUSA-N 2 2 336.483 3.425 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(SC)cc1OC ZINC000352535311 457446229 /nfs/dbraw/zinc/44/62/29/457446229.db2.gz OYEPKWANHOWCSJ-SFHVURJKSA-N 2 2 336.501 3.001 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(SC)cc1OC ZINC000352535311 457446233 /nfs/dbraw/zinc/44/62/33/457446233.db2.gz OYEPKWANHOWCSJ-SFHVURJKSA-N 2 2 336.501 3.001 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000360939110 457447988 /nfs/dbraw/zinc/44/79/88/457447988.db2.gz XEPPUCQHVYNEFN-GOSISDBHSA-N 2 2 326.444 3.302 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000360939110 457447989 /nfs/dbraw/zinc/44/79/89/457447989.db2.gz XEPPUCQHVYNEFN-GOSISDBHSA-N 2 2 326.444 3.302 20 0 EGADLP CC(C)(C)c1ccc(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000356130783 457472375 /nfs/dbraw/zinc/47/23/75/457472375.db2.gz DZQUBZHABKWTMI-UHFFFAOYSA-N 2 2 326.488 3.068 20 0 EGADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(I)cc1 ZINC000397852097 457492055 /nfs/dbraw/zinc/49/20/55/457492055.db2.gz KIYPVIUWWMTCLO-NSHDSACASA-N 2 2 344.240 3.036 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389141 457533029 /nfs/dbraw/zinc/53/30/29/457533029.db2.gz XEXFQXLXDQNANN-YJBOKZPZSA-N 2 2 342.487 3.468 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389141 457533034 /nfs/dbraw/zinc/53/30/34/457533034.db2.gz XEXFQXLXDQNANN-YJBOKZPZSA-N 2 2 342.487 3.468 20 0 EGADLP CC(C)c1nc(N2CCC([NH2+]CCOc3ccccc3)CC2)cc[nH+]1 ZINC000361044940 457540713 /nfs/dbraw/zinc/54/07/13/457540713.db2.gz OABXLYFJKXGLQY-UHFFFAOYSA-N 2 2 340.471 3.237 20 0 EGADLP COc1c(O)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000352724329 457560160 /nfs/dbraw/zinc/56/01/60/457560160.db2.gz QCWKXOGTLMSZRR-QGZVFWFLSA-N 2 2 332.488 3.345 20 0 EGADLP COc1c(O)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000352724329 457560170 /nfs/dbraw/zinc/56/01/70/457560170.db2.gz QCWKXOGTLMSZRR-QGZVFWFLSA-N 2 2 332.488 3.345 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)Cc1ccccc1 ZINC000374295557 457573038 /nfs/dbraw/zinc/57/30/38/457573038.db2.gz MMGASVXWPIJFJD-VQTJNVASSA-N 2 2 330.516 3.488 20 0 EGADLP COCc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357513729 457573162 /nfs/dbraw/zinc/57/31/62/457573162.db2.gz NTKHSOGYYZASNS-GOEBONIOSA-N 2 2 331.435 3.227 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744935 457576533 /nfs/dbraw/zinc/57/65/33/457576533.db2.gz FYXJTYYLNPZOBZ-ZUZCIYMTSA-N 2 2 327.241 3.161 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744935 457576537 /nfs/dbraw/zinc/57/65/37/457576537.db2.gz FYXJTYYLNPZOBZ-ZUZCIYMTSA-N 2 2 327.241 3.161 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125805 457597593 /nfs/dbraw/zinc/59/75/93/457597593.db2.gz KZRHTAAILIHYPC-OXQOHEQNSA-N 2 2 344.503 3.089 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125805 457597599 /nfs/dbraw/zinc/59/75/99/457597599.db2.gz KZRHTAAILIHYPC-OXQOHEQNSA-N 2 2 344.503 3.089 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](C(C)(C)C)C3)c2cc1C ZINC000409467372 457599712 /nfs/dbraw/zinc/59/97/12/457599712.db2.gz NTIGQNWPTCYFIA-SJORKVTESA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](C(C)(C)C)C3)c2cc1C ZINC000409467372 457599718 /nfs/dbraw/zinc/59/97/18/457599718.db2.gz NTIGQNWPTCYFIA-SJORKVTESA-N 2 2 329.488 3.382 20 0 EGADLP C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000357680665 457653699 /nfs/dbraw/zinc/65/36/99/457653699.db2.gz MUOODQOHIGIZAU-AUUYWEPGSA-N 2 2 325.460 3.402 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000361236207 457661391 /nfs/dbraw/zinc/66/13/91/457661391.db2.gz ICICXMOSUXJOCJ-SJORKVTESA-N 2 2 326.525 3.058 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+](CCCCOc3ccccc3)CC2)CCO1 ZINC000357700895 457661932 /nfs/dbraw/zinc/66/19/32/457661932.db2.gz OAUOGTFIUNQOHZ-SFHVURJKSA-N 2 2 332.488 3.031 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+](CCCCOc3ccccc3)CC2)CCO1 ZINC000357700895 457661936 /nfs/dbraw/zinc/66/19/36/457661936.db2.gz OAUOGTFIUNQOHZ-SFHVURJKSA-N 2 2 332.488 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000357771368 457683564 /nfs/dbraw/zinc/68/35/64/457683564.db2.gz KYJWJTPCFTZRAL-IRXDYDNUSA-N 2 2 340.471 3.173 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000357771368 457683566 /nfs/dbraw/zinc/68/35/66/457683566.db2.gz KYJWJTPCFTZRAL-IRXDYDNUSA-N 2 2 340.471 3.173 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000357777059 457686292 /nfs/dbraw/zinc/68/62/92/457686292.db2.gz YCPAEIIFLZLHML-HNNXBMFYSA-N 2 2 327.476 3.055 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000357777059 457686293 /nfs/dbraw/zinc/68/62/93/457686293.db2.gz YCPAEIIFLZLHML-HNNXBMFYSA-N 2 2 327.476 3.055 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC000361442292 457733756 /nfs/dbraw/zinc/73/37/56/457733756.db2.gz GGOCFUAXEAIYSC-UHFFFAOYSA-N 3 2 335.458 3.115 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022241 457742603 /nfs/dbraw/zinc/74/26/03/457742603.db2.gz IPEALTVMHYKYJV-PJSUUKDQSA-N 2 2 342.462 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022241 457742605 /nfs/dbraw/zinc/74/26/05/457742605.db2.gz IPEALTVMHYKYJV-PJSUUKDQSA-N 2 2 342.462 3.453 20 0 EGADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000365356310 457748118 /nfs/dbraw/zinc/74/81/18/457748118.db2.gz HAYJPFRPDQMXKP-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000365356310 457748120 /nfs/dbraw/zinc/74/81/20/457748120.db2.gz HAYJPFRPDQMXKP-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(OC(F)F)ccc4ccccc43)C[C@@H]2C1 ZINC000425971453 457750440 /nfs/dbraw/zinc/75/04/40/457750440.db2.gz PJJDVQNSDOGINH-GASCZTMLSA-N 2 2 332.394 3.435 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(OC(F)F)ccc4ccccc43)C[C@@H]2C1 ZINC000425971453 457750447 /nfs/dbraw/zinc/75/04/47/457750447.db2.gz PJJDVQNSDOGINH-GASCZTMLSA-N 2 2 332.394 3.435 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C[C@@H]2C1 ZINC000425971453 457750453 /nfs/dbraw/zinc/75/04/53/457750453.db2.gz PJJDVQNSDOGINH-GASCZTMLSA-N 2 2 332.394 3.435 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(OC(F)F)ccc4ccccc43)C[C@@H]2C1 ZINC000425971453 457750460 /nfs/dbraw/zinc/75/04/60/457750460.db2.gz PJJDVQNSDOGINH-GASCZTMLSA-N 2 2 332.394 3.435 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433077819 457753847 /nfs/dbraw/zinc/75/38/47/457753847.db2.gz SVLKAZZDCHGUKC-NRFANRHFSA-N 2 2 335.451 3.216 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433077819 457753851 /nfs/dbraw/zinc/75/38/51/457753851.db2.gz SVLKAZZDCHGUKC-NRFANRHFSA-N 2 2 335.451 3.216 20 0 EGADLP CCC(CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCCC1 ZINC000457607956 457763881 /nfs/dbraw/zinc/76/38/81/457763881.db2.gz IMNRTLSHDGAGDX-OIISXLGYSA-N 2 2 347.507 3.089 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000443524464 457776401 /nfs/dbraw/zinc/77/64/01/457776401.db2.gz UOJWKJGXMUVBFS-CYBMUJFWSA-N 2 2 327.407 3.313 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)oc1C ZINC000433201111 457778654 /nfs/dbraw/zinc/77/86/54/457778654.db2.gz USZFKMHKACIVQU-CQSZACIVSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)oc1C ZINC000433201111 457778660 /nfs/dbraw/zinc/77/86/60/457778660.db2.gz USZFKMHKACIVQU-CQSZACIVSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+](C)CCC[N@H+](C)Cc2ccco2)oc1C ZINC000433201111 457778667 /nfs/dbraw/zinc/77/86/67/457778667.db2.gz USZFKMHKACIVQU-CQSZACIVSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)oc1C ZINC000433201111 457778674 /nfs/dbraw/zinc/77/86/74/457778674.db2.gz USZFKMHKACIVQU-CQSZACIVSA-N 2 2 348.443 3.483 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000358089998 457779894 /nfs/dbraw/zinc/77/98/94/457779894.db2.gz MUFZJIZLNLJECB-MRXNPFEDSA-N 2 2 334.508 3.069 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000371091067 457785172 /nfs/dbraw/zinc/78/51/72/457785172.db2.gz XECPCVDCKNJZRS-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000371091067 457785178 /nfs/dbraw/zinc/78/51/78/457785178.db2.gz XECPCVDCKNJZRS-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426296949 457802838 /nfs/dbraw/zinc/80/28/38/457802838.db2.gz VNRNNKMTBMXATI-CJNGLKHVSA-N 2 2 337.305 3.454 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426296949 457802844 /nfs/dbraw/zinc/80/28/44/457802844.db2.gz VNRNNKMTBMXATI-CJNGLKHVSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1(C)C ZINC000457722553 457807265 /nfs/dbraw/zinc/80/72/65/457807265.db2.gz ZEMHQTLOWLVDAU-FVJLSDCUSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1(C)C ZINC000457722553 457807269 /nfs/dbraw/zinc/80/72/69/457807269.db2.gz ZEMHQTLOWLVDAU-FVJLSDCUSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccc(N2CCCC2=O)c1 ZINC000361661410 457812614 /nfs/dbraw/zinc/81/26/14/457812614.db2.gz FPMRSAMLZDLNFR-DOTOQJQBSA-N 2 2 338.455 3.238 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676186 457816982 /nfs/dbraw/zinc/81/69/82/457816982.db2.gz UBQDRSZKEYXZBF-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676186 457816992 /nfs/dbraw/zinc/81/69/92/457816992.db2.gz UBQDRSZKEYXZBF-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361676186 457816999 /nfs/dbraw/zinc/81/69/99/457816999.db2.gz UBQDRSZKEYXZBF-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361676186 457817006 /nfs/dbraw/zinc/81/70/06/457817006.db2.gz UBQDRSZKEYXZBF-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000358154574 457820624 /nfs/dbraw/zinc/82/06/24/457820624.db2.gz KRTYFPUAZQQRQU-WMLDXEAASA-N 2 2 338.879 3.254 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000361755729 457838720 /nfs/dbraw/zinc/83/87/20/457838720.db2.gz ROXHKTKTXXJENZ-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000361755729 457838727 /nfs/dbraw/zinc/83/87/27/457838727.db2.gz ROXHKTKTXXJENZ-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000361755729 457838732 /nfs/dbraw/zinc/83/87/32/457838732.db2.gz ROXHKTKTXXJENZ-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000361755729 457838737 /nfs/dbraw/zinc/83/87/37/457838737.db2.gz ROXHKTKTXXJENZ-LAUBAEHRSA-N 3 2 341.499 3.341 20 0 EGADLP c1ccc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCC2)cc1 ZINC000433624700 457861522 /nfs/dbraw/zinc/86/15/22/457861522.db2.gz YXZPMFUWOOLIOS-GOSISDBHSA-N 2 2 337.471 3.326 20 0 EGADLP CC[N@H+](CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1)CC1CC1 ZINC000433777720 457883860 /nfs/dbraw/zinc/88/38/60/457883860.db2.gz OXTJSMSKVCPOKC-UHFFFAOYSA-N 2 2 337.899 3.051 20 0 EGADLP CC[N@@H+](CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1)CC1CC1 ZINC000433777720 457883867 /nfs/dbraw/zinc/88/38/67/457883867.db2.gz OXTJSMSKVCPOKC-UHFFFAOYSA-N 2 2 337.899 3.051 20 0 EGADLP CC[N@H+](CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1)CC1CC1 ZINC000433777720 457883874 /nfs/dbraw/zinc/88/38/74/457883874.db2.gz OXTJSMSKVCPOKC-UHFFFAOYSA-N 2 2 337.899 3.051 20 0 EGADLP CC[N@@H+](CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1)CC1CC1 ZINC000433777720 457883882 /nfs/dbraw/zinc/88/38/82/457883882.db2.gz OXTJSMSKVCPOKC-UHFFFAOYSA-N 2 2 337.899 3.051 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000361834873 457896042 /nfs/dbraw/zinc/89/60/42/457896042.db2.gz XPKVWTGZABBKKN-FQEVSTJZSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000361834873 457896048 /nfs/dbraw/zinc/89/60/48/457896048.db2.gz XPKVWTGZABBKKN-FQEVSTJZSA-N 2 2 334.423 3.229 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877344 457924992 /nfs/dbraw/zinc/92/49/92/457924992.db2.gz MSYVTENODOXXCJ-JXFKEZNVSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877344 457924998 /nfs/dbraw/zinc/92/49/98/457924998.db2.gz MSYVTENODOXXCJ-JXFKEZNVSA-N 2 2 328.431 3.113 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000367073452 457925328 /nfs/dbraw/zinc/92/53/28/457925328.db2.gz SLVKNDDXJSQKFF-LJQANCHMSA-N 2 2 329.488 3.200 20 0 EGADLP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433998456 457928735 /nfs/dbraw/zinc/92/87/35/457928735.db2.gz GHCULOKAQHLULW-IMFGXOCKSA-N 2 2 327.472 3.499 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@@]1=O ZINC000411634141 457935409 /nfs/dbraw/zinc/93/54/09/457935409.db2.gz KLERWGZOZYUJQZ-HXOBKFHXSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@@]1=O ZINC000411634141 457935416 /nfs/dbraw/zinc/93/54/16/457935416.db2.gz KLERWGZOZYUJQZ-HXOBKFHXSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640171 457937179 /nfs/dbraw/zinc/93/71/79/457937179.db2.gz VEZYYIFRNMMYLS-HXOBKFHXSA-N 2 2 334.529 3.015 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000358342597 457947483 /nfs/dbraw/zinc/94/74/83/457947483.db2.gz FSINHCBORKNOLI-CZUORRHYSA-N 2 2 328.287 3.034 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663252 458010185 /nfs/dbraw/zinc/01/01/85/458010185.db2.gz JFAQIVIRZGRFLD-RDJZCZTQSA-N 2 2 342.439 3.239 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663252 458010194 /nfs/dbraw/zinc/01/01/94/458010194.db2.gz JFAQIVIRZGRFLD-RDJZCZTQSA-N 2 2 342.439 3.239 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411925218 458011482 /nfs/dbraw/zinc/01/14/82/458011482.db2.gz NBUVUMFHMKBFRX-RTWAWAEBSA-N 2 2 333.435 3.489 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411925218 458011489 /nfs/dbraw/zinc/01/14/89/458011489.db2.gz NBUVUMFHMKBFRX-RTWAWAEBSA-N 2 2 333.435 3.489 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000445278107 458035728 /nfs/dbraw/zinc/03/57/28/458035728.db2.gz KBKCCYRKWBKXNM-UHFFFAOYSA-N 2 2 343.437 3.471 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000445278107 458035734 /nfs/dbraw/zinc/03/57/34/458035734.db2.gz KBKCCYRKWBKXNM-UHFFFAOYSA-N 2 2 343.437 3.471 20 0 EGADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427842685 458042714 /nfs/dbraw/zinc/04/27/14/458042714.db2.gz KYTQRBSEGMSUQF-WFASDCNBSA-N 2 2 337.345 3.374 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031590 458070212 /nfs/dbraw/zinc/07/02/12/458070212.db2.gz LSLLMNSRPOCTFN-IMFGXOCKSA-N 2 2 349.478 3.364 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031590 458070214 /nfs/dbraw/zinc/07/02/14/458070214.db2.gz LSLLMNSRPOCTFN-IMFGXOCKSA-N 2 2 349.478 3.364 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC(=O)Nc2cccc(F)c2)n1-c1ccccc1 ZINC000362312053 458099315 /nfs/dbraw/zinc/09/93/15/458099315.db2.gz GUPLKESXORBOTE-UHFFFAOYSA-N 2 2 338.386 3.048 20 0 EGADLP c1cc2cc(CC[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccc2[nH]1 ZINC000369198547 458121150 /nfs/dbraw/zinc/12/11/50/458121150.db2.gz OSTVHOVKLFPCPZ-UHFFFAOYSA-N 2 2 334.467 3.360 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2csc(C)n2)cc1 ZINC000435368319 458121184 /nfs/dbraw/zinc/12/11/84/458121184.db2.gz APBHEVZZVPWTTI-KRWDZBQOSA-N 2 2 331.485 3.214 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2csc(C)n2)cc1 ZINC000435368319 458121188 /nfs/dbraw/zinc/12/11/88/458121188.db2.gz APBHEVZZVPWTTI-KRWDZBQOSA-N 2 2 331.485 3.214 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)s1 ZINC000362361498 458126658 /nfs/dbraw/zinc/12/66/58/458126658.db2.gz QOMRXFCANRKSHJ-CYBMUJFWSA-N 2 2 348.516 3.067 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000435378986 458129127 /nfs/dbraw/zinc/12/91/27/458129127.db2.gz HHCZDPDZBCIDER-KBRIMQKVSA-N 2 2 338.879 3.067 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000435378986 458129131 /nfs/dbraw/zinc/12/91/31/458129131.db2.gz HHCZDPDZBCIDER-KBRIMQKVSA-N 2 2 338.879 3.067 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435381955 458129702 /nfs/dbraw/zinc/12/97/02/458129702.db2.gz WVCJHWQMKULSLU-LJQANCHMSA-N 2 2 325.456 3.201 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435381955 458129709 /nfs/dbraw/zinc/12/97/09/458129709.db2.gz WVCJHWQMKULSLU-LJQANCHMSA-N 2 2 325.456 3.201 20 0 EGADLP Cc1nc(C)c(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435391378 458134024 /nfs/dbraw/zinc/13/40/24/458134024.db2.gz SFIJMNJBDYVXHN-QGZVFWFLSA-N 2 2 330.501 3.299 20 0 EGADLP Cc1nc(C)c(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435391378 458134030 /nfs/dbraw/zinc/13/40/30/458134030.db2.gz SFIJMNJBDYVXHN-QGZVFWFLSA-N 2 2 330.501 3.299 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243784 458140812 /nfs/dbraw/zinc/14/08/12/458140812.db2.gz ZJFLRIZUDYTJFR-SJORKVTESA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243784 458140818 /nfs/dbraw/zinc/14/08/18/458140818.db2.gz ZJFLRIZUDYTJFR-SJORKVTESA-N 2 2 337.423 3.231 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1F ZINC000428434837 458142434 /nfs/dbraw/zinc/14/24/34/458142434.db2.gz XIUBIFCJUZWTSN-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1F ZINC000428434837 458142444 /nfs/dbraw/zinc/14/24/44/458142444.db2.gz XIUBIFCJUZWTSN-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000428434837 458142448 /nfs/dbraw/zinc/14/24/48/458142448.db2.gz XIUBIFCJUZWTSN-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000428434837 458142455 /nfs/dbraw/zinc/14/24/55/458142455.db2.gz XIUBIFCJUZWTSN-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP COc1ccccc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435441390 458147961 /nfs/dbraw/zinc/14/79/61/458147961.db2.gz FKPFWRNPPNCYOA-KRWDZBQOSA-N 2 2 343.496 3.296 20 0 EGADLP COc1ccccc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435441390 458147968 /nfs/dbraw/zinc/14/79/68/458147968.db2.gz FKPFWRNPPNCYOA-KRWDZBQOSA-N 2 2 343.496 3.296 20 0 EGADLP Cn1cc[nH+]c1CN(C(=O)CCCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435570914 458163176 /nfs/dbraw/zinc/16/31/76/458163176.db2.gz ZBHCNWHXYNHNOD-MRXNPFEDSA-N 2 2 346.519 3.107 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435614987 458172855 /nfs/dbraw/zinc/17/28/55/458172855.db2.gz OJPYWQYMPWMUFG-RDJZCZTQSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435614987 458172859 /nfs/dbraw/zinc/17/28/59/458172859.db2.gz OJPYWQYMPWMUFG-RDJZCZTQSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626372 458175738 /nfs/dbraw/zinc/17/57/38/458175738.db2.gz ODVIHWXUJRYCHR-WMZOPIPTSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626372 458175745 /nfs/dbraw/zinc/17/57/45/458175745.db2.gz ODVIHWXUJRYCHR-WMZOPIPTSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369356959 458186261 /nfs/dbraw/zinc/18/62/61/458186261.db2.gz DCZMUMKOACMDOS-GOEBONIOSA-N 2 2 339.886 3.252 20 0 EGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356959 458186267 /nfs/dbraw/zinc/18/62/67/458186267.db2.gz DCZMUMKOACMDOS-GOEBONIOSA-N 2 2 339.886 3.252 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000369396775 458201522 /nfs/dbraw/zinc/20/15/22/458201522.db2.gz ASRCAPBROIWUFD-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000369396775 458201528 /nfs/dbraw/zinc/20/15/28/458201528.db2.gz ASRCAPBROIWUFD-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[N@H+](Cc4ccccc4)CC3)n21 ZINC000435773571 458202302 /nfs/dbraw/zinc/20/23/02/458202302.db2.gz VWBREZMSOGOWOZ-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[N@@H+](Cc4ccccc4)CC3)n21 ZINC000435773571 458202307 /nfs/dbraw/zinc/20/23/07/458202307.db2.gz VWBREZMSOGOWOZ-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000372168877 458217503 /nfs/dbraw/zinc/21/75/03/458217503.db2.gz BRRGAGXBBNWKNF-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000372168877 458217510 /nfs/dbraw/zinc/21/75/10/458217510.db2.gz BRRGAGXBBNWKNF-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372168877 458217517 /nfs/dbraw/zinc/21/75/17/458217517.db2.gz BRRGAGXBBNWKNF-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000372168877 458217524 /nfs/dbraw/zinc/21/75/24/458217524.db2.gz BRRGAGXBBNWKNF-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)[nH+]1 ZINC000369511751 458243063 /nfs/dbraw/zinc/24/30/63/458243063.db2.gz ORJWANKWBNVVBJ-AWEZNQCLSA-N 2 2 329.448 3.147 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)[nH+]1 ZINC000369511751 458243072 /nfs/dbraw/zinc/24/30/72/458243072.db2.gz ORJWANKWBNVVBJ-AWEZNQCLSA-N 2 2 329.448 3.147 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000446978279 458253217 /nfs/dbraw/zinc/25/32/17/458253217.db2.gz WENDRTVHNURSJC-YJBOKZPZSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000446978279 458253224 /nfs/dbraw/zinc/25/32/24/458253224.db2.gz WENDRTVHNURSJC-YJBOKZPZSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000372330943 458278891 /nfs/dbraw/zinc/27/88/91/458278891.db2.gz HGNUJMDZZDIJEC-QILLFSRXSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000372330943 458278895 /nfs/dbraw/zinc/27/88/95/458278895.db2.gz HGNUJMDZZDIJEC-QILLFSRXSA-N 2 2 338.879 3.032 20 0 EGADLP Cc1cc(C)c(NC(=O)NCc2cccc(C[NH+](C)C)c2)c(C)[nH+]1 ZINC000436491996 458314093 /nfs/dbraw/zinc/31/40/93/458314093.db2.gz JCZQDFVFCGWYCD-UHFFFAOYSA-N 2 2 326.444 3.390 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000376502225 458320103 /nfs/dbraw/zinc/32/01/03/458320103.db2.gz OTLIJTYECFCNGZ-HNNXBMFYSA-N 2 2 342.491 3.298 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000376502225 458320106 /nfs/dbraw/zinc/32/01/06/458320106.db2.gz OTLIJTYECFCNGZ-HNNXBMFYSA-N 2 2 342.491 3.298 20 0 EGADLP Oc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000459322586 458328208 /nfs/dbraw/zinc/32/82/08/458328208.db2.gz HOEHXENJPYTRIR-GFCCVEGCSA-N 2 2 336.233 3.257 20 0 EGADLP Oc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000459322586 458328214 /nfs/dbraw/zinc/32/82/14/458328214.db2.gz HOEHXENJPYTRIR-GFCCVEGCSA-N 2 2 336.233 3.257 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675392 458357594 /nfs/dbraw/zinc/35/75/94/458357594.db2.gz GIHHCPMUWRGEBF-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675392 458357598 /nfs/dbraw/zinc/35/75/98/458357598.db2.gz GIHHCPMUWRGEBF-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675392 458357604 /nfs/dbraw/zinc/35/76/04/458357604.db2.gz GIHHCPMUWRGEBF-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675392 458357608 /nfs/dbraw/zinc/35/76/08/458357608.db2.gz GIHHCPMUWRGEBF-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459451677 458376565 /nfs/dbraw/zinc/37/65/65/458376565.db2.gz LNPGFKXGKSUXQD-UXHICEINSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459451677 458376569 /nfs/dbraw/zinc/37/65/69/458376569.db2.gz LNPGFKXGKSUXQD-UXHICEINSA-N 2 2 344.886 3.108 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032694 458380955 /nfs/dbraw/zinc/38/09/55/458380955.db2.gz XHXPCJWKVZTKPH-RBUKOAKNSA-N 2 2 349.563 3.364 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032694 458380960 /nfs/dbraw/zinc/38/09/60/458380960.db2.gz XHXPCJWKVZTKPH-RBUKOAKNSA-N 2 2 349.563 3.364 20 0 EGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(O)c2Br)CC1 ZINC000459504778 458394701 /nfs/dbraw/zinc/39/47/01/458394701.db2.gz GQHCLISYWRILDL-UHFFFAOYSA-N 2 2 339.277 3.215 20 0 EGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(O)c2Br)CC1 ZINC000459504778 458394703 /nfs/dbraw/zinc/39/47/03/458394703.db2.gz GQHCLISYWRILDL-UHFFFAOYSA-N 2 2 339.277 3.215 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828741 458399478 /nfs/dbraw/zinc/39/94/78/458399478.db2.gz QAGLPLGTBYFARA-RBUKOAKNSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828741 458399482 /nfs/dbraw/zinc/39/94/82/458399482.db2.gz QAGLPLGTBYFARA-RBUKOAKNSA-N 2 2 326.488 3.373 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCC2 ZINC000376847296 458405016 /nfs/dbraw/zinc/40/50/16/458405016.db2.gz VXWIDSKEGNNPDJ-CABCVRRESA-N 2 2 334.426 3.341 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376858776 458408726 /nfs/dbraw/zinc/40/87/26/458408726.db2.gz WNHSKTCOMQOGCQ-GOSISDBHSA-N 2 2 341.846 3.438 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376858776 458408728 /nfs/dbraw/zinc/40/87/28/458408728.db2.gz WNHSKTCOMQOGCQ-GOSISDBHSA-N 2 2 341.846 3.438 20 0 EGADLP Cn1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(Cl)cc2)cn1 ZINC000430256981 458429685 /nfs/dbraw/zinc/42/96/85/458429685.db2.gz ZFXPFWLGDCKCOD-UHFFFAOYSA-N 2 2 343.862 3.363 20 0 EGADLP Cn1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(Cl)cc2)cn1 ZINC000430256981 458429688 /nfs/dbraw/zinc/42/96/88/458429688.db2.gz ZFXPFWLGDCKCOD-UHFFFAOYSA-N 2 2 343.862 3.363 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000423444520 458434699 /nfs/dbraw/zinc/43/46/99/458434699.db2.gz XRNNEHPMHVLJIK-RTBURBONSA-N 2 2 338.451 3.386 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000373232194 458439519 /nfs/dbraw/zinc/43/95/19/458439519.db2.gz UDEACQYLMZWBAS-ZDUSSCGKSA-N 2 2 329.835 3.101 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000373232194 458439524 /nfs/dbraw/zinc/43/95/24/458439524.db2.gz UDEACQYLMZWBAS-ZDUSSCGKSA-N 2 2 329.835 3.101 20 0 EGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)cs2)cs1 ZINC000423521475 458450287 /nfs/dbraw/zinc/45/02/87/458450287.db2.gz QTAVIQDLMKXLLA-RISCZKNCSA-N 2 2 337.514 3.209 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530018 458452361 /nfs/dbraw/zinc/45/23/61/458452361.db2.gz QWUGDHKNSKZPLH-UXHICEINSA-N 3 2 347.522 3.488 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530017 458452389 /nfs/dbraw/zinc/45/23/89/458452389.db2.gz QWUGDHKNSKZPLH-PMACEKPBSA-N 3 2 347.522 3.488 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)nnn1-c1ccc(C)cc1 ZINC000423533907 458453663 /nfs/dbraw/zinc/45/36/63/458453663.db2.gz UQNJPDPAWUIJGU-KBXCAEBGSA-N 2 2 327.476 3.052 20 0 EGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423553457 458456869 /nfs/dbraw/zinc/45/68/69/458456869.db2.gz GXSPBNUVYMDJGN-PKOBYXMFSA-N 3 2 329.532 3.394 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430552864 458459360 /nfs/dbraw/zinc/45/93/60/458459360.db2.gz BWPZVXHUGINUNR-OXQOHEQNSA-N 2 2 333.520 3.025 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430571165 458463671 /nfs/dbraw/zinc/46/36/71/458463671.db2.gz NUPJIEQMRQSGJD-HXUWFJFHSA-N 2 2 341.455 3.380 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758521 458471100 /nfs/dbraw/zinc/47/11/00/458471100.db2.gz VLGNGDHLRPXOQZ-UXHICEINSA-N 2 2 328.500 3.449 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758521 458471102 /nfs/dbraw/zinc/47/11/02/458471102.db2.gz VLGNGDHLRPXOQZ-UXHICEINSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758521 458471105 /nfs/dbraw/zinc/47/11/05/458471105.db2.gz VLGNGDHLRPXOQZ-UXHICEINSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758521 458471109 /nfs/dbraw/zinc/47/11/09/458471109.db2.gz VLGNGDHLRPXOQZ-UXHICEINSA-N 2 2 328.500 3.449 20 0 EGADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430963612 458511100 /nfs/dbraw/zinc/51/11/00/458511100.db2.gz AJLUHPIZUWDWPB-QWRGUYRKSA-N 2 2 340.349 3.097 20 0 EGADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430963612 458511103 /nfs/dbraw/zinc/51/11/03/458511103.db2.gz AJLUHPIZUWDWPB-QWRGUYRKSA-N 2 2 340.349 3.097 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)ccc2n1C1CC1 ZINC000423927967 458514408 /nfs/dbraw/zinc/51/44/08/458514408.db2.gz GPNLORJZTHBWMT-GJZGRUSLSA-N 2 2 340.471 3.067 20 0 EGADLP COc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778171 458524217 /nfs/dbraw/zinc/52/42/17/458524217.db2.gz XOIXPKYKKNKBGU-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778171 458524224 /nfs/dbraw/zinc/52/42/24/458524224.db2.gz XOIXPKYKKNKBGU-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778171 458524228 /nfs/dbraw/zinc/52/42/28/458524228.db2.gz XOIXPKYKKNKBGU-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778171 458524234 /nfs/dbraw/zinc/52/42/34/458524234.db2.gz XOIXPKYKKNKBGU-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP Cc1ccc2c(C)cc(NCC3([NH+]4CCCC4)CCOCC3)[nH+]c2c1 ZINC000460941731 458541415 /nfs/dbraw/zinc/54/14/15/458541415.db2.gz YKKWFZKVOHSCHY-UHFFFAOYSA-N 2 2 339.483 3.330 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000431422488 458570416 /nfs/dbraw/zinc/57/04/16/458570416.db2.gz OAUBBQUPSBEJSO-INIZCTEOSA-N 2 2 338.430 3.068 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000431422488 458570422 /nfs/dbraw/zinc/57/04/22/458570422.db2.gz OAUBBQUPSBEJSO-INIZCTEOSA-N 2 2 338.430 3.068 20 0 EGADLP C[C@H](Nc1[nH+]c2ccc(F)cc2n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000431424691 458571512 /nfs/dbraw/zinc/57/15/12/458571512.db2.gz ZQAHNFKZOSWESR-SCLBCKFNSA-N 2 2 326.419 3.238 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000431431876 458572631 /nfs/dbraw/zinc/57/26/31/458572631.db2.gz PPPBTPVZLCKKFN-QGZVFWFLSA-N 2 2 338.430 3.076 20 0 EGADLP Cc1cc(F)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(F)c1 ZINC000424171363 458576589 /nfs/dbraw/zinc/57/65/89/458576589.db2.gz JFFZLXJZTJMJTL-UHFFFAOYSA-N 2 2 349.425 3.289 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000424329532 458617596 /nfs/dbraw/zinc/61/75/96/458617596.db2.gz GTPHQPZHPHKTIG-PBGAUENZSA-N 2 2 339.483 3.265 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494403928 458672099 /nfs/dbraw/zinc/67/20/99/458672099.db2.gz IZIPQKFBTJLGBG-AWEZNQCLSA-N 2 2 349.862 3.439 20 0 EGADLP C[NH+](C)C1(C[NH2+]C2CCN(c3ccccc3)CC2)Cc2ccccc2C1 ZINC000463206927 458681973 /nfs/dbraw/zinc/68/19/73/458681973.db2.gz RBADRHZTOYPGSU-UHFFFAOYSA-N 2 2 349.522 3.344 20 0 EGADLP CCc1cc(OC)ccc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000503902957 458728348 /nfs/dbraw/zinc/72/83/48/458728348.db2.gz PIURDJCYZZBECQ-UHFFFAOYSA-N 2 2 325.456 3.283 20 0 EGADLP CCCc1nc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837648 458740616 /nfs/dbraw/zinc/74/06/16/458740616.db2.gz KJGRCKIHZRCIBU-ROUUACIJSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1nc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837648 458740620 /nfs/dbraw/zinc/74/06/20/458740620.db2.gz KJGRCKIHZRCIBU-ROUUACIJSA-N 2 2 342.487 3.194 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000494768665 458743916 /nfs/dbraw/zinc/74/39/16/458743916.db2.gz QYZCDVIRVHYBPS-PLACYPQZSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000494768665 458743921 /nfs/dbraw/zinc/74/39/21/458743921.db2.gz QYZCDVIRVHYBPS-PLACYPQZSA-N 2 2 340.511 3.444 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494923547 458766697 /nfs/dbraw/zinc/76/66/97/458766697.db2.gz NUGGIENRSKZMLZ-NUJGCVRESA-N 2 2 333.524 3.384 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721850 458774577 /nfs/dbraw/zinc/77/45/77/458774577.db2.gz FPXPZZAXBQQBLG-VNQPRFMTSA-N 2 2 349.475 3.119 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721850 458774582 /nfs/dbraw/zinc/77/45/82/458774582.db2.gz FPXPZZAXBQQBLG-VNQPRFMTSA-N 2 2 349.475 3.119 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000495070485 458793601 /nfs/dbraw/zinc/79/36/01/458793601.db2.gz YISDVMMBZNGLFC-UHFFFAOYSA-N 2 2 327.513 3.144 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000495070485 458793605 /nfs/dbraw/zinc/79/36/05/458793605.db2.gz YISDVMMBZNGLFC-UHFFFAOYSA-N 2 2 327.513 3.144 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CCCC1 ZINC000495084563 458796624 /nfs/dbraw/zinc/79/66/24/458796624.db2.gz MKCWLYNKEGODLB-WOJBJXKFSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CCCC1 ZINC000495084563 458796629 /nfs/dbraw/zinc/79/66/29/458796629.db2.gz MKCWLYNKEGODLB-WOJBJXKFSA-N 2 2 343.515 3.156 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1csc(COc3ccccc3)n1)CC2 ZINC000547967542 458815894 /nfs/dbraw/zinc/81/58/94/458815894.db2.gz PCWZNRYFUGDCQY-AWEZNQCLSA-N 2 2 340.452 3.023 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000474022273 458854748 /nfs/dbraw/zinc/85/47/48/458854748.db2.gz JAQCBEVNFNALHT-XLIONFOSSA-N 2 2 346.515 3.364 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000474022273 458854754 /nfs/dbraw/zinc/85/47/54/458854754.db2.gz JAQCBEVNFNALHT-XLIONFOSSA-N 2 2 346.515 3.364 20 0 EGADLP COc1ncc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1Cl ZINC000518623126 458881779 /nfs/dbraw/zinc/88/17/79/458881779.db2.gz UJQMTAFVJJEMGS-UHFFFAOYSA-N 2 2 347.846 3.490 20 0 EGADLP CCOC(=O)[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123405 458890628 /nfs/dbraw/zinc/89/06/28/458890628.db2.gz JPLXYDQRQJRZRO-MJGOQNOKSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123405 458890630 /nfs/dbraw/zinc/89/06/30/458890630.db2.gz JPLXYDQRQJRZRO-MJGOQNOKSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000441123405 458890632 /nfs/dbraw/zinc/89/06/32/458890632.db2.gz JPLXYDQRQJRZRO-MJGOQNOKSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000441123405 458890635 /nfs/dbraw/zinc/89/06/35/458890635.db2.gz JPLXYDQRQJRZRO-MJGOQNOKSA-N 2 2 330.472 3.023 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1c1ccccc1 ZINC000495603976 458894585 /nfs/dbraw/zinc/89/45/85/458894585.db2.gz QRWKXUKKGMJBCB-SJLPKXTDSA-N 2 2 345.487 3.031 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1c1ccccc1 ZINC000495603976 458894591 /nfs/dbraw/zinc/89/45/91/458894591.db2.gz QRWKXUKKGMJBCB-SJLPKXTDSA-N 2 2 345.487 3.031 20 0 EGADLP Cc1cnccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000519076073 458913143 /nfs/dbraw/zinc/91/31/43/458913143.db2.gz LHLIKZDXKCWIJX-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1cnccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000519076073 458913149 /nfs/dbraw/zinc/91/31/49/458913149.db2.gz LHLIKZDXKCWIJX-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP CC1CCC(N(C(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)C2CC2)CC1 ZINC000441333639 458920989 /nfs/dbraw/zinc/92/09/89/458920989.db2.gz UXIFBGDEYWKRRS-XBMUEBEBSA-N 2 2 349.563 3.362 20 0 EGADLP CC1CCC(N(C(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C2CC2)CC1 ZINC000441333639 458920992 /nfs/dbraw/zinc/92/09/92/458920992.db2.gz UXIFBGDEYWKRRS-XBMUEBEBSA-N 2 2 349.563 3.362 20 0 EGADLP CC1CCC(N(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)C2CC2)CC1 ZINC000441333639 458920997 /nfs/dbraw/zinc/92/09/97/458920997.db2.gz UXIFBGDEYWKRRS-XBMUEBEBSA-N 2 2 349.563 3.362 20 0 EGADLP CC1CCC(N(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)C2CC2)CC1 ZINC000441333639 458921000 /nfs/dbraw/zinc/92/10/00/458921000.db2.gz UXIFBGDEYWKRRS-XBMUEBEBSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353075 458924790 /nfs/dbraw/zinc/92/47/90/458924790.db2.gz LJHLFSRASSXATP-FQBWVUSXSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353075 458924792 /nfs/dbraw/zinc/92/47/92/458924792.db2.gz LJHLFSRASSXATP-FQBWVUSXSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441353075 458924794 /nfs/dbraw/zinc/92/47/94/458924794.db2.gz LJHLFSRASSXATP-FQBWVUSXSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441353075 458924797 /nfs/dbraw/zinc/92/47/97/458924797.db2.gz LJHLFSRASSXATP-FQBWVUSXSA-N 2 2 337.552 3.122 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](C)c3ccccc3)c2cc1C ZINC000556090202 458927723 /nfs/dbraw/zinc/92/77/23/458927723.db2.gz JQCGCYBCCOESFV-MJGOQNOKSA-N 2 2 337.467 3.407 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000441384754 458933935 /nfs/dbraw/zinc/93/39/35/458933935.db2.gz VCQSZLQYWLWKJN-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000441384754 458933940 /nfs/dbraw/zinc/93/39/40/458933940.db2.gz VCQSZLQYWLWKJN-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000441384754 458933947 /nfs/dbraw/zinc/93/39/47/458933947.db2.gz VCQSZLQYWLWKJN-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000441384754 458933953 /nfs/dbraw/zinc/93/39/53/458933953.db2.gz VCQSZLQYWLWKJN-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000441398513 458935053 /nfs/dbraw/zinc/93/50/53/458935053.db2.gz YJZRBTGAVATDFE-FXAWDEMLSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000441398513 458935062 /nfs/dbraw/zinc/93/50/62/458935062.db2.gz YJZRBTGAVATDFE-FXAWDEMLSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000441398513 458935073 /nfs/dbraw/zinc/93/50/73/458935073.db2.gz YJZRBTGAVATDFE-FXAWDEMLSA-N 2 2 347.547 3.115 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531706250 458963743 /nfs/dbraw/zinc/96/37/43/458963743.db2.gz NUPKXGNVDMPXPV-PMACEKPBSA-N 2 2 343.515 3.060 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531706250 458963751 /nfs/dbraw/zinc/96/37/51/458963751.db2.gz NUPKXGNVDMPXPV-PMACEKPBSA-N 2 2 343.515 3.060 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495869150 458985267 /nfs/dbraw/zinc/98/52/67/458985267.db2.gz ZNGXYKJQVMPNSC-HRCADAONSA-N 2 2 336.480 3.039 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636783 459019085 /nfs/dbraw/zinc/01/90/85/459019085.db2.gz UTTBHJPDGAUZFL-QZTJIDSGSA-N 2 2 331.463 3.499 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636783 459019087 /nfs/dbraw/zinc/01/90/87/459019087.db2.gz UTTBHJPDGAUZFL-QZTJIDSGSA-N 2 2 331.463 3.499 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000442714672 459026133 /nfs/dbraw/zinc/02/61/33/459026133.db2.gz ACKZLCRJCHCKLI-KRWDZBQOSA-N 2 2 326.444 3.342 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754741 459031842 /nfs/dbraw/zinc/03/18/42/459031842.db2.gz IOHJISSMVFRSDD-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754741 459031847 /nfs/dbraw/zinc/03/18/47/459031847.db2.gz IOHJISSMVFRSDD-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762726 459033238 /nfs/dbraw/zinc/03/32/38/459033238.db2.gz FPLTZQPATRPIAE-IAGOWNOFSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762726 459033243 /nfs/dbraw/zinc/03/32/43/459033243.db2.gz FPLTZQPATRPIAE-IAGOWNOFSA-N 2 2 329.488 3.021 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]Cc3cccc(O)c3)CCCCC2)CCO1 ZINC000520227385 459041357 /nfs/dbraw/zinc/04/13/57/459041357.db2.gz WLSRFVUTPBCFPD-UHFFFAOYSA-N 2 2 332.488 3.296 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]Cc3cccc(O)c3)CCCCC2)CCO1 ZINC000520227385 459041362 /nfs/dbraw/zinc/04/13/62/459041362.db2.gz WLSRFVUTPBCFPD-UHFFFAOYSA-N 2 2 332.488 3.296 20 0 EGADLP CC[N@@H+](Cc1nc(CC(C)C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999429 459064567 /nfs/dbraw/zinc/06/45/67/459064567.db2.gz HNKJGOOOCXKMFL-UHFFFAOYSA-N 2 2 330.476 3.352 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513119 459071323 /nfs/dbraw/zinc/07/13/23/459071323.db2.gz LDBVIVDQSJKQRP-NUJGCVRESA-N 2 2 332.488 3.389 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513119 459071329 /nfs/dbraw/zinc/07/13/29/459071329.db2.gz LDBVIVDQSJKQRP-NUJGCVRESA-N 2 2 332.488 3.389 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000496165810 459094634 /nfs/dbraw/zinc/09/46/34/459094634.db2.gz IEHKAVBRMFEYNI-NVXWUHKLSA-N 2 2 333.476 3.168 20 0 EGADLP COC[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000557805452 459109716 /nfs/dbraw/zinc/10/97/16/459109716.db2.gz HROZNPKLZAEAEN-FQEVSTJZSA-N 2 2 346.515 3.246 20 0 EGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277296 459131717 /nfs/dbraw/zinc/13/17/17/459131717.db2.gz DHCINAUGAGWSEK-RTWAWAEBSA-N 2 2 329.532 3.452 20 0 EGADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277296 459131723 /nfs/dbraw/zinc/13/17/23/459131723.db2.gz DHCINAUGAGWSEK-RTWAWAEBSA-N 2 2 329.532 3.452 20 0 EGADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)Cc1ccc2ccccc2c1 ZINC000567690444 459145816 /nfs/dbraw/zinc/14/58/16/459145816.db2.gz BLYFZKMTVGWSKJ-HXUWFJFHSA-N 2 2 335.451 3.230 20 0 EGADLP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000567712559 459152060 /nfs/dbraw/zinc/15/20/60/459152060.db2.gz ARUWYLVVTVQOHT-INIZCTEOSA-N 2 2 341.459 3.000 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477732 459163805 /nfs/dbraw/zinc/16/38/05/459163805.db2.gz HUZRNRBRYXDCIL-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477732 459163810 /nfs/dbraw/zinc/16/38/10/459163810.db2.gz HUZRNRBRYXDCIL-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477732 459163818 /nfs/dbraw/zinc/16/38/18/459163818.db2.gz HUZRNRBRYXDCIL-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000558477732 459163824 /nfs/dbraw/zinc/16/38/24/459163824.db2.gz HUZRNRBRYXDCIL-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000533012929 459174877 /nfs/dbraw/zinc/17/48/77/459174877.db2.gz JPHBGCSRRLCZEY-KJNZLNQQSA-N 2 2 348.531 3.006 20 0 EGADLP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000533012929 459174881 /nfs/dbraw/zinc/17/48/81/459174881.db2.gz JPHBGCSRRLCZEY-KJNZLNQQSA-N 2 2 348.531 3.006 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000558715094 459203400 /nfs/dbraw/zinc/20/34/00/459203400.db2.gz BUPQJJMEYZDIRW-HUUCEWRRSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000558715094 459203404 /nfs/dbraw/zinc/20/34/04/459203404.db2.gz BUPQJJMEYZDIRW-HUUCEWRRSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(c4ccccc4)CC3)c2cc1C ZINC000558751005 459207612 /nfs/dbraw/zinc/20/76/12/459207612.db2.gz XPKCOASBBRCFFI-IBGZPJMESA-N 2 2 349.478 3.335 20 0 EGADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000481070204 459231684 /nfs/dbraw/zinc/23/16/84/459231684.db2.gz GPBIPDWRVIJNFC-UHFFFAOYSA-N 2 2 344.286 3.206 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)ccn12 ZINC000568193325 459245607 /nfs/dbraw/zinc/24/56/07/459245607.db2.gz GEXGMNBQSSTGPX-HNNXBMFYSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)ccn12 ZINC000568193325 459245615 /nfs/dbraw/zinc/24/56/15/459245615.db2.gz GEXGMNBQSSTGPX-HNNXBMFYSA-N 2 2 328.460 3.027 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000482152862 459293502 /nfs/dbraw/zinc/29/35/02/459293502.db2.gz YNFGQGGYJIHDMU-YADHBBJMSA-N 2 2 340.511 3.336 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000482152862 459293504 /nfs/dbraw/zinc/29/35/04/459293504.db2.gz YNFGQGGYJIHDMU-YADHBBJMSA-N 2 2 340.511 3.336 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1 ZINC000582067922 459303041 /nfs/dbraw/zinc/30/30/41/459303041.db2.gz PTPBNDGFUMMHLM-UHFFFAOYSA-N 2 2 328.460 3.307 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1 ZINC000582067922 459303046 /nfs/dbraw/zinc/30/30/46/459303046.db2.gz PTPBNDGFUMMHLM-UHFFFAOYSA-N 2 2 328.460 3.307 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083105 459309230 /nfs/dbraw/zinc/30/92/30/459309230.db2.gz OGSFZDVGQRFWIR-OAHLLOKOSA-N 2 2 346.862 3.429 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083105 459309234 /nfs/dbraw/zinc/30/92/34/459309234.db2.gz OGSFZDVGQRFWIR-OAHLLOKOSA-N 2 2 346.862 3.429 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000582165135 459319767 /nfs/dbraw/zinc/31/97/67/459319767.db2.gz ZANUVFYDMSRXKT-QGZVFWFLSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000582165135 459319773 /nfs/dbraw/zinc/31/97/73/459319773.db2.gz ZANUVFYDMSRXKT-QGZVFWFLSA-N 2 2 349.438 3.039 20 0 EGADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)n1cc[nH+]c1 ZINC000560338461 459326266 /nfs/dbraw/zinc/32/62/66/459326266.db2.gz QDUZWZNHUNJZJU-QGZVFWFLSA-N 2 2 332.492 3.139 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000582480799 459372712 /nfs/dbraw/zinc/37/27/12/459372712.db2.gz AURTXWPVVYWIIM-ZIFCJYIRSA-N 2 2 326.488 3.298 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000496991507 459397803 /nfs/dbraw/zinc/39/78/03/459397803.db2.gz BKAMNHMTPHWOKI-XHSDSOJGSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@@H]1C ZINC000496991507 459397806 /nfs/dbraw/zinc/39/78/06/459397806.db2.gz BKAMNHMTPHWOKI-XHSDSOJGSA-N 2 2 339.524 3.094 20 0 EGADLP Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779650 459426615 /nfs/dbraw/zinc/42/66/15/459426615.db2.gz JNFBXOOTNKDBKI-BRWVUGGUSA-N 2 2 343.450 3.011 20 0 EGADLP Fc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000582779650 459426619 /nfs/dbraw/zinc/42/66/19/459426619.db2.gz JNFBXOOTNKDBKI-BRWVUGGUSA-N 2 2 343.450 3.011 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc(C)n1 ZINC000569361551 459439194 /nfs/dbraw/zinc/43/91/94/459439194.db2.gz FEVSNRKGGQPBDV-LJQANCHMSA-N 2 2 336.483 3.380 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc(C)n1 ZINC000569361551 459439197 /nfs/dbraw/zinc/43/91/97/459439197.db2.gz FEVSNRKGGQPBDV-LJQANCHMSA-N 2 2 336.483 3.380 20 0 EGADLP CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000595913988 459484966 /nfs/dbraw/zinc/48/49/66/459484966.db2.gz CBHMMVBVDWWUTK-SFHVURJKSA-N 2 2 341.455 3.214 20 0 EGADLP CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000595913988 459484972 /nfs/dbraw/zinc/48/49/72/459484972.db2.gz CBHMMVBVDWWUTK-SFHVURJKSA-N 2 2 341.455 3.214 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000497235788 459496650 /nfs/dbraw/zinc/49/66/50/459496650.db2.gz INGOPAOSRBAARV-UXLLHSPISA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000497235788 459496656 /nfs/dbraw/zinc/49/66/56/459496656.db2.gz INGOPAOSRBAARV-UXLLHSPISA-N 2 2 339.524 3.142 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1F ZINC000562019062 459503253 /nfs/dbraw/zinc/50/32/53/459503253.db2.gz DFCAFPUPJNELRQ-CZUORRHYSA-N 2 2 328.859 3.488 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000569839332 459519412 /nfs/dbraw/zinc/51/94/12/459519412.db2.gz ACONPPPBWJCWAA-MRXNPFEDSA-N 2 2 333.439 3.044 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000569839332 459519414 /nfs/dbraw/zinc/51/94/14/459519414.db2.gz ACONPPPBWJCWAA-MRXNPFEDSA-N 2 2 333.439 3.044 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)C2 ZINC000526001649 459529757 /nfs/dbraw/zinc/52/97/57/459529757.db2.gz UELYFNOALPQBQB-HNNXBMFYSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)C2 ZINC000526001649 459529761 /nfs/dbraw/zinc/52/97/61/459529761.db2.gz UELYFNOALPQBQB-HNNXBMFYSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)CC2 ZINC000526001649 459529767 /nfs/dbraw/zinc/52/97/67/459529767.db2.gz UELYFNOALPQBQB-HNNXBMFYSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)CC2 ZINC000526001649 459529772 /nfs/dbraw/zinc/52/97/72/459529772.db2.gz UELYFNOALPQBQB-HNNXBMFYSA-N 2 2 346.519 3.019 20 0 EGADLP Cc1cc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000572981884 459605917 /nfs/dbraw/zinc/60/59/17/459605917.db2.gz DPNUTIPKFJLRTE-KRWDZBQOSA-N 2 2 331.847 3.271 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000573168714 459635909 /nfs/dbraw/zinc/63/59/09/459635909.db2.gz BMOWQWPCJVNUBB-RTBURBONSA-N 2 2 344.524 3.385 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000573168714 459635916 /nfs/dbraw/zinc/63/59/16/459635916.db2.gz BMOWQWPCJVNUBB-RTBURBONSA-N 2 2 344.524 3.385 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000584048196 459640642 /nfs/dbraw/zinc/64/06/42/459640642.db2.gz GTKROOUZOODBKR-GOSISDBHSA-N 2 2 326.440 3.024 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000584048196 459640645 /nfs/dbraw/zinc/64/06/45/459640645.db2.gz GTKROOUZOODBKR-GOSISDBHSA-N 2 2 326.440 3.024 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1C ZINC000584183768 459676815 /nfs/dbraw/zinc/67/68/15/459676815.db2.gz UYAKSGUKLNORLT-UHFFFAOYSA-N 3 2 326.488 3.394 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000584225939 459685818 /nfs/dbraw/zinc/68/58/18/459685818.db2.gz MJEQRBPHNOLICJ-LIRRHRJNSA-N 2 2 341.430 3.308 20 0 EGADLP Cc1ccc([C@@H]([NH2+]CCc2cc[nH+]cc2C)[C@H](C)S(C)(=O)=O)cc1 ZINC000573718015 459723156 /nfs/dbraw/zinc/72/31/56/459723156.db2.gz NGEGIGJBASSNJR-LPHOPBHVSA-N 2 2 346.496 3.005 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000584433327 459736303 /nfs/dbraw/zinc/73/63/03/459736303.db2.gz VUQCYBUJZHJRLQ-STQMWFEESA-N 2 2 343.284 3.451 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000584433327 459736307 /nfs/dbraw/zinc/73/63/07/459736307.db2.gz VUQCYBUJZHJRLQ-STQMWFEESA-N 2 2 343.284 3.451 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000527801178 459742249 /nfs/dbraw/zinc/74/22/49/459742249.db2.gz QYAWROMQUFAKNB-OZOXKJRCSA-N 2 2 349.478 3.193 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC000527801178 459742256 /nfs/dbraw/zinc/74/22/56/459742256.db2.gz QYAWROMQUFAKNB-OZOXKJRCSA-N 2 2 349.478 3.193 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000573931352 459759345 /nfs/dbraw/zinc/75/93/45/459759345.db2.gz SBIDXLAXDHPFOW-ZFWWWQNUSA-N 2 2 341.455 3.032 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000573931352 459759349 /nfs/dbraw/zinc/75/93/49/459759349.db2.gz SBIDXLAXDHPFOW-ZFWWWQNUSA-N 2 2 341.455 3.032 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000574150664 459785234 /nfs/dbraw/zinc/78/52/34/459785234.db2.gz JLUUZHLVBZKHOY-LLVKDONJSA-N 2 2 348.520 3.011 20 0 EGADLP COc1ccc[nH+]c1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000528008910 459794898 /nfs/dbraw/zinc/79/48/98/459794898.db2.gz LIEGSGSSMJWXPG-UHFFFAOYSA-N 2 2 327.428 3.175 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCc1c[nH+]cn1C ZINC000584789316 459802947 /nfs/dbraw/zinc/80/29/47/459802947.db2.gz XJLCKRDIEKVYLD-QZTJIDSGSA-N 3 2 340.515 3.099 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410190 459816110 /nfs/dbraw/zinc/81/61/10/459816110.db2.gz BKYKEOUSYCNVCY-WMLDXEAASA-N 2 2 347.528 3.390 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410190 459816114 /nfs/dbraw/zinc/81/61/14/459816114.db2.gz BKYKEOUSYCNVCY-WMLDXEAASA-N 2 2 347.528 3.390 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412701 459862661 /nfs/dbraw/zinc/86/26/61/459862661.db2.gz JSEYTULBUOXUDL-MJGOQNOKSA-N 2 2 337.467 3.031 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412701 459862669 /nfs/dbraw/zinc/86/26/69/459862669.db2.gz JSEYTULBUOXUDL-MJGOQNOKSA-N 2 2 337.467 3.031 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905890 459869955 /nfs/dbraw/zinc/86/99/55/459869955.db2.gz IUBOIWBXOOSVKG-OAHLLOKOSA-N 2 2 329.488 3.355 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000545905890 459869956 /nfs/dbraw/zinc/86/99/56/459869956.db2.gz IUBOIWBXOOSVKG-OAHLLOKOSA-N 2 2 329.488 3.355 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1Br ZINC000574771402 459870820 /nfs/dbraw/zinc/87/08/20/459870820.db2.gz VSDCAJPBOQADBK-SNVBAGLBSA-N 2 2 338.249 3.350 20 0 EGADLP C[C@H](CC1CC1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000545949769 459878343 /nfs/dbraw/zinc/87/83/43/459878343.db2.gz GGVFESWHJPJWBM-CQSZACIVSA-N 2 2 328.460 3.038 20 0 EGADLP Cn1c2ccc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000574915187 459893804 /nfs/dbraw/zinc/89/38/04/459893804.db2.gz HLFFLOWRZADGIH-QGZVFWFLSA-N 2 2 348.450 3.157 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588687949 459968864 /nfs/dbraw/zinc/96/88/64/459968864.db2.gz HVYZILCAFYVBDM-LAUBAEHRSA-N 2 2 326.484 3.393 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588687949 459968868 /nfs/dbraw/zinc/96/88/68/459968868.db2.gz HVYZILCAFYVBDM-LAUBAEHRSA-N 2 2 326.484 3.393 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000588690625 459971407 /nfs/dbraw/zinc/97/14/07/459971407.db2.gz GTGGFXTZNOSMBX-OXQOHEQNSA-N 2 2 344.886 3.410 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000588690625 459971411 /nfs/dbraw/zinc/97/14/11/459971411.db2.gz GTGGFXTZNOSMBX-OXQOHEQNSA-N 2 2 344.886 3.410 20 0 EGADLP O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000621641381 459994891 /nfs/dbraw/zinc/99/48/91/459994891.db2.gz IFDUYXYNBLXQDN-OAHLLOKOSA-N 2 2 340.471 3.481 20 0 EGADLP Cc1nccnc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000621716176 460022890 /nfs/dbraw/zinc/02/28/90/460022890.db2.gz UUVHVPCSQYKYBY-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1nccnc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000621716176 460022895 /nfs/dbraw/zinc/02/28/95/460022895.db2.gz UUVHVPCSQYKYBY-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000621716176 460022901 /nfs/dbraw/zinc/02/29/01/460022901.db2.gz UUVHVPCSQYKYBY-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000621716176 460022907 /nfs/dbraw/zinc/02/29/07/460022907.db2.gz UUVHVPCSQYKYBY-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP C[C@H](C[S@](C)=O)[N@@H+](C)[C@@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616584 460024296 /nfs/dbraw/zinc/02/42/96/460024296.db2.gz WDFPFEFIJOBBTK-ALIIGJLFSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616584 460024304 /nfs/dbraw/zinc/02/43/04/460024304.db2.gz WDFPFEFIJOBBTK-ALIIGJLFSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616584 460024311 /nfs/dbraw/zinc/02/43/11/460024311.db2.gz WDFPFEFIJOBBTK-ALIIGJLFSA-N 2 2 334.529 3.053 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)o1 ZINC000625214342 460073770 /nfs/dbraw/zinc/07/37/70/460073770.db2.gz HONZLWQSRACDRI-HNNXBMFYSA-N 2 2 330.432 3.212 20 0 EGADLP CCCC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914599 460113820 /nfs/dbraw/zinc/11/38/20/460113820.db2.gz BOWHRKZIUDARIX-RBUKOAKNSA-N 2 2 337.552 3.076 20 0 EGADLP CCCC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914599 460113824 /nfs/dbraw/zinc/11/38/24/460113824.db2.gz BOWHRKZIUDARIX-RBUKOAKNSA-N 2 2 337.552 3.076 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602767264 460114342 /nfs/dbraw/zinc/11/43/42/460114342.db2.gz BXEBFOVCJDGBKW-KRWDZBQOSA-N 2 2 339.439 3.478 20 0 EGADLP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602767264 460114348 /nfs/dbraw/zinc/11/43/48/460114348.db2.gz BXEBFOVCJDGBKW-KRWDZBQOSA-N 2 2 339.439 3.478 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)nnn1-c1ccc(Cl)cc1 ZINC000576577589 460171782 /nfs/dbraw/zinc/17/17/82/460171782.db2.gz RTZWCGQWEGCCAI-SWLSCSKDSA-N 2 2 333.867 3.022 20 0 EGADLP C[C@H](CCSc1ccccc1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625547040 460203516 /nfs/dbraw/zinc/20/35/16/460203516.db2.gz YOBOCGKVOFZQQF-QGZVFWFLSA-N 2 2 334.529 3.354 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798889 460268441 /nfs/dbraw/zinc/26/84/41/460268441.db2.gz HPXXKNDJBPISLK-DYESRHJHSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798889 460268444 /nfs/dbraw/zinc/26/84/44/460268444.db2.gz HPXXKNDJBPISLK-DYESRHJHSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798889 460268447 /nfs/dbraw/zinc/26/84/47/460268447.db2.gz HPXXKNDJBPISLK-DYESRHJHSA-N 2 2 342.483 3.361 20 0 EGADLP Cc1[nH+]ccc(NCc2cc[nH+]c(N3CCSCC3)c2)c1Cl ZINC000631507552 460417318 /nfs/dbraw/zinc/41/73/18/460417318.db2.gz KZKFJRGNTBMBGF-UHFFFAOYSA-N 2 2 334.876 3.026 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000623137143 460419400 /nfs/dbraw/zinc/41/94/00/460419400.db2.gz LELCRQXWZMAUNZ-RBUKOAKNSA-N 2 2 344.499 3.270 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000623137143 460419404 /nfs/dbraw/zinc/41/94/04/460419404.db2.gz LELCRQXWZMAUNZ-RBUKOAKNSA-N 2 2 344.499 3.270 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000628475924 460430319 /nfs/dbraw/zinc/43/03/19/460430319.db2.gz KUQBGGJURCCEJN-UHFFFAOYSA-N 2 2 332.488 3.080 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)o1 ZINC000600227689 460451359 /nfs/dbraw/zinc/45/13/59/460451359.db2.gz ZLJUHNBJQYXFRH-UHFFFAOYSA-N 2 2 340.427 3.008 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000619904735 460468961 /nfs/dbraw/zinc/46/89/61/460468961.db2.gz QCAWWIHMVOLBNH-HNNXBMFYSA-N 2 2 325.412 3.088 20 0 EGADLP CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000619904735 460468964 /nfs/dbraw/zinc/46/89/64/460468964.db2.gz QCAWWIHMVOLBNH-HNNXBMFYSA-N 2 2 325.412 3.088 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000634678311 460471976 /nfs/dbraw/zinc/47/19/76/460471976.db2.gz PHANIZZUNUVQJG-HKUYNNGSSA-N 2 2 332.488 3.379 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000634678005 460472265 /nfs/dbraw/zinc/47/22/65/460472265.db2.gz FIKVLDIHOSWMSL-IEBWSBKVSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1cc(N2CCC[C@@H]([NH3+])C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000634807297 460532022 /nfs/dbraw/zinc/53/20/22/460532022.db2.gz FWVUUWMEVWLUBB-CQSZACIVSA-N 2 2 347.260 3.142 20 0 EGADLP OC1(C[NH2+]CCCCn2cc[nH+]c2)CCC(c2ccccc2)CC1 ZINC000629560963 460808851 /nfs/dbraw/zinc/80/88/51/460808851.db2.gz GVVPKEUQOQHZMA-UHFFFAOYSA-N 2 2 327.472 3.342 20 0 EGADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)CC2 ZINC000627571964 460848345 /nfs/dbraw/zinc/84/83/45/460848345.db2.gz NQZSWYWEVXJBST-OAHLLOKOSA-N 2 2 349.438 3.007 20 0 EGADLP CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000629683928 460864750 /nfs/dbraw/zinc/86/47/50/460864750.db2.gz KHKOCOSWJMLRTJ-QGZVFWFLSA-N 2 2 344.459 3.005 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000613210226 460867847 /nfs/dbraw/zinc/86/78/47/460867847.db2.gz OOTRBWZOWRGAGA-ZJOUEHCJSA-N 2 2 349.478 3.134 20 0 EGADLP CC[NH+](CC)CCOc1ccc(-c2ccc(N[C@@H](C)CO)[nH+]c2)cc1 ZINC000629705347 460878536 /nfs/dbraw/zinc/87/85/36/460878536.db2.gz KHDWHJOBSANOCN-INIZCTEOSA-N 2 2 343.471 3.262 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000632923294 460887864 /nfs/dbraw/zinc/88/78/64/460887864.db2.gz NKGGRQYRTGHSEJ-GOEBONIOSA-N 2 2 341.459 3.304 20 0 EGADLP Cc1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000621154515 460917722 /nfs/dbraw/zinc/91/77/22/460917722.db2.gz MPXROAZYHAKGIX-SFHVURJKSA-N 2 2 339.439 3.252 20 0 EGADLP Cc1cc(NC(=O)C[N@H+](C)C2CCC2)c[nH+]c1N1CCCC[C@H]1C ZINC000629979451 460985204 /nfs/dbraw/zinc/98/52/04/460985204.db2.gz RDOWGPOUFUULAQ-OAHLLOKOSA-N 2 2 330.476 3.192 20 0 EGADLP Cc1cc(NC(=O)C[N@@H+](C)C2CCC2)c[nH+]c1N1CCCC[C@H]1C ZINC000629979451 460985208 /nfs/dbraw/zinc/98/52/08/460985208.db2.gz RDOWGPOUFUULAQ-OAHLLOKOSA-N 2 2 330.476 3.192 20 0 EGADLP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000628186543 461037174 /nfs/dbraw/zinc/03/71/74/461037174.db2.gz NRAIXJWNNLKEKQ-SFHLNBCPSA-N 2 2 329.532 3.056 20 0 EGADLP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000628186543 461037177 /nfs/dbraw/zinc/03/71/77/461037177.db2.gz NRAIXJWNNLKEKQ-SFHLNBCPSA-N 2 2 329.532 3.056 20 0 EGADLP Cc1cn2ccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000668151274 461138263 /nfs/dbraw/zinc/13/82/63/461138263.db2.gz YXAOXBXSPYWFQN-GOSISDBHSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cn2ccc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000668151274 461138271 /nfs/dbraw/zinc/13/82/71/461138271.db2.gz YXAOXBXSPYWFQN-GOSISDBHSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cn2ccc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000668151004 461138695 /nfs/dbraw/zinc/13/86/95/461138695.db2.gz OFFWRPSQVOLRGL-UHFFFAOYSA-N 2 2 329.448 3.029 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1F ZINC000652351657 461148204 /nfs/dbraw/zinc/14/82/04/461148204.db2.gz OIJYPRSHHOGOSO-WTANOLMUSA-N 2 2 344.434 3.306 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1F ZINC000652351657 461148209 /nfs/dbraw/zinc/14/82/09/461148209.db2.gz OIJYPRSHHOGOSO-WTANOLMUSA-N 2 2 344.434 3.306 20 0 EGADLP c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n(CC2CC2)n1 ZINC000668165432 461149716 /nfs/dbraw/zinc/14/97/16/461149716.db2.gz XJMWSBSWFLYPIV-UHFFFAOYSA-N 2 2 327.476 3.182 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H]1CC[NH3+] ZINC000652355937 461151003 /nfs/dbraw/zinc/15/10/03/461151003.db2.gz NJGLAJXZGWUJJW-CZUORRHYSA-N 2 2 347.894 3.085 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H]1CC[NH3+] ZINC000652355937 461151013 /nfs/dbraw/zinc/15/10/13/461151013.db2.gz NJGLAJXZGWUJJW-CZUORRHYSA-N 2 2 347.894 3.085 20 0 EGADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668282662 461226017 /nfs/dbraw/zinc/22/60/17/461226017.db2.gz XWYVBGKRJVKOCA-KSZLIROESA-N 2 2 338.499 3.313 20 0 EGADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668282662 461226030 /nfs/dbraw/zinc/22/60/30/461226030.db2.gz XWYVBGKRJVKOCA-KSZLIROESA-N 2 2 338.499 3.313 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131234 461260903 /nfs/dbraw/zinc/26/09/03/461260903.db2.gz AEPOBZJDGAKPSB-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131234 461260913 /nfs/dbraw/zinc/26/09/13/461260913.db2.gz AEPOBZJDGAKPSB-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131234 461260914 /nfs/dbraw/zinc/26/09/14/461260914.db2.gz AEPOBZJDGAKPSB-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131234 461260915 /nfs/dbraw/zinc/26/09/15/461260915.db2.gz AEPOBZJDGAKPSB-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(SC)o2)[C@H](C)C1 ZINC000641728379 461339565 /nfs/dbraw/zinc/33/95/65/461339565.db2.gz QZPJCFLAHDICRV-ZBFHGGJFSA-N 2 2 326.506 3.228 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC)o2)[C@H](C)C1 ZINC000641728379 461339571 /nfs/dbraw/zinc/33/95/71/461339571.db2.gz QZPJCFLAHDICRV-ZBFHGGJFSA-N 2 2 326.506 3.228 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)CCCC2 ZINC000655682834 461359573 /nfs/dbraw/zinc/35/95/73/461359573.db2.gz LMGIXDCQWYWFQE-HRAATJIYSA-N 2 2 328.500 3.469 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@H]1CCCn2cc[nH+]c21)Cc1ccccc1 ZINC000655688372 461364438 /nfs/dbraw/zinc/36/44/38/461364438.db2.gz YVNBSMQWRWHIMX-MOPGFXCFSA-N 2 2 326.488 3.261 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000655707455 461378039 /nfs/dbraw/zinc/37/80/39/461378039.db2.gz STWDLWXJJHSLRY-DOMZBBRYSA-N 2 2 326.843 3.383 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(N2CCCC2)c1 ZINC000655724473 461393086 /nfs/dbraw/zinc/39/30/86/461393086.db2.gz YLYJANXRPZEKLO-UWJYYQICSA-N 2 2 343.515 3.191 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000638374137 461393410 /nfs/dbraw/zinc/39/34/10/461393410.db2.gz NKVJQWWVJZVODS-IAGOWNOFSA-N 2 2 341.503 3.066 20 0 EGADLP COc1cccc(C)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000638387236 461401222 /nfs/dbraw/zinc/40/12/22/461401222.db2.gz VOUYYPJFYVBAHF-UHFFFAOYSA-N 2 2 340.467 3.126 20 0 EGADLP CO[C@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000638404555 461411647 /nfs/dbraw/zinc/41/16/47/461411647.db2.gz GKIBYDHFNJGLBM-PWRODBHTSA-N 2 2 346.515 3.101 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426535 461423623 /nfs/dbraw/zinc/42/36/23/461423623.db2.gz UQHYIEKJPOKILV-IEZWGBDMSA-N 2 2 343.515 3.247 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426535 461423627 /nfs/dbraw/zinc/42/36/27/461423627.db2.gz UQHYIEKJPOKILV-IEZWGBDMSA-N 2 2 343.515 3.247 20 0 EGADLP Fc1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655765101 461430479 /nfs/dbraw/zinc/43/04/79/461430479.db2.gz YOTYLCCITRQHJG-AHRSYUTCSA-N 2 2 332.463 3.305 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000668793866 461437324 /nfs/dbraw/zinc/43/73/24/461437324.db2.gz RSXQWHOCMWVUDC-UHFFFAOYSA-N 2 2 340.471 3.064 20 0 EGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638465704 461441943 /nfs/dbraw/zinc/44/19/43/461441943.db2.gz DQVIVXYZYNLEFS-JTQLQIEISA-N 2 2 326.238 3.020 20 0 EGADLP COCCc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000631030510 461482854 /nfs/dbraw/zinc/48/28/54/461482854.db2.gz SWNSIVWHILXIFG-UHFFFAOYSA-N 2 2 345.512 3.086 20 0 EGADLP CC1(C)CC([NH2+]Cc2ccncc2Br)CC(C)(C)[NH2+]1 ZINC000631034991 461486489 /nfs/dbraw/zinc/48/64/89/461486489.db2.gz HPDAFRVXHBKSRP-UHFFFAOYSA-N 2 2 326.282 3.243 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000655850460 461499003 /nfs/dbraw/zinc/49/90/03/461499003.db2.gz VSSFQEAGCPNHKV-RTWAWAEBSA-N 2 2 327.516 3.258 20 0 EGADLP C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653096840 461500194 /nfs/dbraw/zinc/50/01/94/461500194.db2.gz XLOYLLCCNOQTSQ-JXFKEZNVSA-N 2 2 339.483 3.152 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855034 461501688 /nfs/dbraw/zinc/50/16/88/461501688.db2.gz ALRLMBQXOWKACN-PWRODBHTSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855034 461501695 /nfs/dbraw/zinc/50/16/95/461501695.db2.gz ALRLMBQXOWKACN-PWRODBHTSA-N 2 2 344.499 3.351 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000631080407 461530844 /nfs/dbraw/zinc/53/08/44/461530844.db2.gz PTCBTSZLWXPRLL-CMPLNLGQSA-N 2 2 345.256 3.169 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000631080407 461530854 /nfs/dbraw/zinc/53/08/54/461530854.db2.gz PTCBTSZLWXPRLL-CMPLNLGQSA-N 2 2 345.256 3.169 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638702226 461545110 /nfs/dbraw/zinc/54/51/10/461545110.db2.gz ZHEVLHXBMZFBFS-HKUYNNGSSA-N 2 2 335.455 3.178 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000660197645 461629750 /nfs/dbraw/zinc/62/97/50/461629750.db2.gz GQOFDYKYCDBHPD-NQIIRXRSSA-N 2 2 344.474 3.400 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000660197645 461629761 /nfs/dbraw/zinc/62/97/61/461629761.db2.gz GQOFDYKYCDBHPD-NQIIRXRSSA-N 2 2 344.474 3.400 20 0 EGADLP Cc1noc(C2CCC([NH2+]CCc3cn4c(cccc4C)[nH+]3)CC2)n1 ZINC000647364355 461659476 /nfs/dbraw/zinc/65/94/76/461659476.db2.gz YRDJPGYTVSCVJK-UHFFFAOYSA-N 2 2 339.443 3.193 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000669420380 461669569 /nfs/dbraw/zinc/66/95/69/461669569.db2.gz KXIFAUBECZQTTP-HYVNUMGLSA-N 2 2 342.512 3.499 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656258508 461682103 /nfs/dbraw/zinc/68/21/03/461682103.db2.gz UCXLXBOERIDICM-QGZVFWFLSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000656258508 461682110 /nfs/dbraw/zinc/68/21/10/461682110.db2.gz UCXLXBOERIDICM-QGZVFWFLSA-N 2 2 330.451 3.236 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000643347011 461698694 /nfs/dbraw/zinc/69/86/94/461698694.db2.gz AQSJIDLBBYGSIB-KRWDZBQOSA-N 2 2 334.467 3.438 20 0 EGADLP COC1([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350328 461701422 /nfs/dbraw/zinc/70/14/22/461701422.db2.gz ITEFLPFISNQXRQ-HKUYNNGSSA-N 2 2 346.515 3.213 20 0 EGADLP COC1([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350328 461701427 /nfs/dbraw/zinc/70/14/27/461701427.db2.gz ITEFLPFISNQXRQ-HKUYNNGSSA-N 2 2 346.515 3.213 20 0 EGADLP CC[N@H+](CCCNC(=O)c1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000650374111 461730269 /nfs/dbraw/zinc/73/02/69/461730269.db2.gz RPWVGDYMSSITAL-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000650374111 461730277 /nfs/dbraw/zinc/73/02/77/461730277.db2.gz RPWVGDYMSSITAL-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1[NH3+] ZINC000647497327 461737938 /nfs/dbraw/zinc/73/79/38/461737938.db2.gz CUNUYSOCDOXONL-DOMZBBRYSA-N 2 2 345.468 3.098 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1[NH3+] ZINC000647497327 461737948 /nfs/dbraw/zinc/73/79/48/461737948.db2.gz CUNUYSOCDOXONL-DOMZBBRYSA-N 2 2 345.468 3.098 20 0 EGADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506569 461739496 /nfs/dbraw/zinc/73/94/96/461739496.db2.gz SPPBOKAHJQZFHC-XOBRGWDASA-N 2 2 346.421 3.145 20 0 EGADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506569 461739505 /nfs/dbraw/zinc/73/95/05/461739505.db2.gz SPPBOKAHJQZFHC-XOBRGWDASA-N 2 2 346.421 3.145 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643502325 461748883 /nfs/dbraw/zinc/74/88/83/461748883.db2.gz CNSLGLQXZSBNGD-AZUAARDMSA-N 2 2 325.456 3.106 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507265 461749278 /nfs/dbraw/zinc/74/92/78/461749278.db2.gz XQVQHCSPTKIILH-AWEZNQCLSA-N 2 2 325.250 3.004 20 0 EGADLP Brc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)[C@H]2CCCO2)cc1 ZINC000643507167 461749441 /nfs/dbraw/zinc/74/94/41/461749441.db2.gz UVHFRCVNTYJVKV-HZPDHXFCSA-N 2 2 339.277 3.011 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cn21 ZINC000647553492 461765238 /nfs/dbraw/zinc/76/52/38/461765238.db2.gz BGJAJWBSULHZCE-ICSRJNTNSA-N 3 2 334.467 3.268 20 0 EGADLP Cc1nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663708713 461766533 /nfs/dbraw/zinc/76/65/33/461766533.db2.gz KPILPSGTSRIVME-ZDUSSCGKSA-N 2 2 341.297 3.246 20 0 EGADLP Cc1nc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663708713 461766538 /nfs/dbraw/zinc/76/65/38/461766538.db2.gz KPILPSGTSRIVME-ZDUSSCGKSA-N 2 2 341.297 3.246 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000660432257 461775930 /nfs/dbraw/zinc/77/59/30/461775930.db2.gz XMTADXKMBZKIDE-UHFFFAOYSA-N 2 2 334.423 3.377 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000639169061 461778943 /nfs/dbraw/zinc/77/89/43/461778943.db2.gz AUQCZECFJIJNMP-SFHVURJKSA-N 2 2 330.451 3.074 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)c2nccc(N)n2)CC1 ZINC000653653416 461786802 /nfs/dbraw/zinc/78/68/02/461786802.db2.gz PSTBPZFNWKEWBW-CYBMUJFWSA-N 2 2 336.443 3.115 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000639182402 461788279 /nfs/dbraw/zinc/78/82/79/461788279.db2.gz FSEPKNCJZUKRBH-QHAWAJNXSA-N 2 2 348.531 3.129 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472414 461799495 /nfs/dbraw/zinc/79/94/95/461799495.db2.gz FMUZBUVFDLDOAB-LJQANCHMSA-N 2 2 331.504 3.200 20 0 EGADLP Cc1nc(N(C)[C@H](C)C2CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000663776558 461801702 /nfs/dbraw/zinc/80/17/02/461801702.db2.gz NLZJIMISPROTHV-LLVKDONJSA-N 2 2 341.297 3.022 20 0 EGADLP CO[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000639216368 461810122 /nfs/dbraw/zinc/81/01/22/461810122.db2.gz VKCRFNKMEOBOMO-GOSISDBHSA-N 2 2 349.862 3.057 20 0 EGADLP C[C@H](CC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[NH+](C)C ZINC000656681285 461838731 /nfs/dbraw/zinc/83/87/31/461838731.db2.gz COCFTKDCCDUEKK-BEFAXECRSA-N 2 2 343.446 3.435 20 0 EGADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000653778195 461852151 /nfs/dbraw/zinc/85/21/51/461852151.db2.gz LCTYZINGRCZJKC-IPMKNSEASA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000653778195 461852157 /nfs/dbraw/zinc/85/21/57/461852157.db2.gz LCTYZINGRCZJKC-IPMKNSEASA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C[C@H](C)N1Cc1ccccc1 ZINC000653778195 461852160 /nfs/dbraw/zinc/85/21/60/461852160.db2.gz LCTYZINGRCZJKC-IPMKNSEASA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C[C@H](C)N1Cc1ccccc1 ZINC000653778195 461852168 /nfs/dbraw/zinc/85/21/68/461852168.db2.gz LCTYZINGRCZJKC-IPMKNSEASA-N 2 2 340.515 3.336 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621370 461884588 /nfs/dbraw/zinc/88/45/88/461884588.db2.gz MJBXPSXNHYDBLV-WBVHZDCISA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621370 461884593 /nfs/dbraw/zinc/88/45/93/461884593.db2.gz MJBXPSXNHYDBLV-WBVHZDCISA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621370 461884595 /nfs/dbraw/zinc/88/45/95/461884595.db2.gz MJBXPSXNHYDBLV-WBVHZDCISA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621370 461884596 /nfs/dbraw/zinc/88/45/96/461884596.db2.gz MJBXPSXNHYDBLV-WBVHZDCISA-N 2 2 342.936 3.208 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC000660631392 461889542 /nfs/dbraw/zinc/88/95/42/461889542.db2.gz WAVDXOYVONSSHE-QZTJIDSGSA-N 2 2 348.506 3.485 20 0 EGADLP CC(C)C[NH2+]C1(CO)CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000663963640 461889760 /nfs/dbraw/zinc/88/97/60/461889760.db2.gz VTFMJZPCODNGCA-UHFFFAOYSA-N 2 2 348.535 3.300 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373481 461891075 /nfs/dbraw/zinc/89/10/75/461891075.db2.gz RAZVYDJXQAFQGP-GQAVTEOGSA-N 2 2 338.854 3.044 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373481 461891082 /nfs/dbraw/zinc/89/10/82/461891082.db2.gz RAZVYDJXQAFQGP-GQAVTEOGSA-N 2 2 338.854 3.044 20 0 EGADLP Clc1ccc2[nH+]c(CN[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)cn2c1 ZINC000656789358 461899733 /nfs/dbraw/zinc/89/97/33/461899733.db2.gz WPPITDDCYNEUPC-QZTJIDSGSA-N 2 2 340.858 3.223 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000648004670 461932959 /nfs/dbraw/zinc/93/29/59/461932959.db2.gz YNIAUTISPYXJIP-UHFFFAOYSA-N 2 2 325.416 3.022 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000648006359 461935444 /nfs/dbraw/zinc/93/54/44/461935444.db2.gz ZXPDEPYBKQRYJB-MRXNPFEDSA-N 2 2 325.416 3.022 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000648006359 461935448 /nfs/dbraw/zinc/93/54/48/461935448.db2.gz ZXPDEPYBKQRYJB-MRXNPFEDSA-N 2 2 325.416 3.022 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000639494568 461953672 /nfs/dbraw/zinc/95/36/72/461953672.db2.gz IYAFGCLJJMMOML-MRXNPFEDSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000639494568 461953678 /nfs/dbraw/zinc/95/36/78/461953678.db2.gz IYAFGCLJJMMOML-MRXNPFEDSA-N 2 2 341.455 3.268 20 0 EGADLP CSc1ccc(F)cc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644580864 461994757 /nfs/dbraw/zinc/99/47/57/461994757.db2.gz LZDHFEXFFVLGFW-SFHVURJKSA-N 2 2 348.487 3.130 20 0 EGADLP CSc1ccc(F)cc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644580864 461994765 /nfs/dbraw/zinc/99/47/65/461994765.db2.gz LZDHFEXFFVLGFW-SFHVURJKSA-N 2 2 348.487 3.130 20 0 EGADLP NC(=O)c1ccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000660852701 461995433 /nfs/dbraw/zinc/99/54/33/461995433.db2.gz FYKQSTKEZIJLSN-UHFFFAOYSA-N 2 2 348.450 3.117 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000664365492 462034024 /nfs/dbraw/zinc/03/40/24/462034024.db2.gz YRHPSARRQFMTDK-SFHVURJKSA-N 2 2 332.451 3.383 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000664365492 462034029 /nfs/dbraw/zinc/03/40/29/462034029.db2.gz YRHPSARRQFMTDK-SFHVURJKSA-N 2 2 332.451 3.383 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)co2)c1 ZINC000639643154 462034505 /nfs/dbraw/zinc/03/45/05/462034505.db2.gz BKKQHNMGVFPKTF-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)co2)c1 ZINC000639643154 462034508 /nfs/dbraw/zinc/03/45/08/462034508.db2.gz BKKQHNMGVFPKTF-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP COc1cccc(-c2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)co2)c1 ZINC000639643154 462034516 /nfs/dbraw/zinc/03/45/16/462034516.db2.gz BKKQHNMGVFPKTF-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP COc1cccc(-c2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)co2)c1 ZINC000639643154 462034523 /nfs/dbraw/zinc/03/45/23/462034523.db2.gz BKKQHNMGVFPKTF-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP COCc1csc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000657313750 462038481 /nfs/dbraw/zinc/03/84/81/462038481.db2.gz NSXLOGBCVSKVSW-UHFFFAOYSA-N 2 2 331.485 3.044 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000639699452 462066311 /nfs/dbraw/zinc/06/63/11/462066311.db2.gz AZMSMNYQNMRXCW-UHFFFAOYSA-N 2 2 341.459 3.207 20 0 EGADLP CC(C)c1nnc(CC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000639719168 462075522 /nfs/dbraw/zinc/07/55/22/462075522.db2.gz ZWJJOZNAEKYZCJ-QGZVFWFLSA-N 2 2 333.524 3.057 20 0 EGADLP CC(C)c1nnc(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000639719168 462075526 /nfs/dbraw/zinc/07/55/26/462075526.db2.gz ZWJJOZNAEKYZCJ-QGZVFWFLSA-N 2 2 333.524 3.057 20 0 EGADLP CC(C)c1nc(CC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n[nH]1 ZINC000639719168 462075531 /nfs/dbraw/zinc/07/55/31/462075531.db2.gz ZWJJOZNAEKYZCJ-QGZVFWFLSA-N 2 2 333.524 3.057 20 0 EGADLP CC(C)c1nc(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n[nH]1 ZINC000639719168 462075534 /nfs/dbraw/zinc/07/55/34/462075534.db2.gz ZWJJOZNAEKYZCJ-QGZVFWFLSA-N 2 2 333.524 3.057 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1F ZINC000644783411 462075578 /nfs/dbraw/zinc/07/55/78/462075578.db2.gz KEICEXFMJXFPDQ-QGZVFWFLSA-N 2 2 330.447 3.143 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)c1ccccc1F ZINC000644783411 462075583 /nfs/dbraw/zinc/07/55/83/462075583.db2.gz KEICEXFMJXFPDQ-QGZVFWFLSA-N 2 2 330.447 3.143 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)[C@H]1c1cccs1 ZINC000657374157 462080026 /nfs/dbraw/zinc/08/00/26/462080026.db2.gz FWQSGEOFDMWEFL-KSSFIOAISA-N 2 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)[C@H]1c1cccs1 ZINC000657374157 462080032 /nfs/dbraw/zinc/08/00/32/462080032.db2.gz FWQSGEOFDMWEFL-KSSFIOAISA-N 2 2 330.501 3.064 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1cccs1 ZINC000657374157 462080038 /nfs/dbraw/zinc/08/00/38/462080038.db2.gz FWQSGEOFDMWEFL-KSSFIOAISA-N 3 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1cccs1 ZINC000657374157 462080043 /nfs/dbraw/zinc/08/00/43/462080043.db2.gz FWQSGEOFDMWEFL-KSSFIOAISA-N 3 2 330.501 3.064 20 0 EGADLP Cc1[nH+]cc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)n1C ZINC000667486363 462106944 /nfs/dbraw/zinc/10/69/44/462106944.db2.gz TVKPJACSHZEJCL-UHFFFAOYSA-N 2 2 334.467 3.200 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1C ZINC000667496025 462112604 /nfs/dbraw/zinc/11/26/04/462112604.db2.gz FRTMPJSVROWXMD-UHFFFAOYSA-N 2 2 338.377 3.070 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@H]1OCc1ccccc1 ZINC000657439267 462124119 /nfs/dbraw/zinc/12/41/19/462124119.db2.gz YXWWAMGUJGRWMK-QZTJIDSGSA-N 2 2 325.456 3.303 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]CC1(CCOCc3ccccc3)CC1)CCC2 ZINC000657438398 462124934 /nfs/dbraw/zinc/12/49/34/462124934.db2.gz KBOSDNKBNAAGGV-UHFFFAOYSA-N 2 2 325.456 3.306 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCO1 ZINC000648457108 462128583 /nfs/dbraw/zinc/12/85/83/462128583.db2.gz MLANWEOEKDAQHN-YZGWKJHDSA-N 2 2 346.515 3.434 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)N(C)C)cc1 ZINC000657467866 462142352 /nfs/dbraw/zinc/14/23/52/462142352.db2.gz YLTKXNOEHUPQSU-IBGZPJMESA-N 2 2 342.487 3.009 20 0 EGADLP CCCn1nccc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000657477612 462148601 /nfs/dbraw/zinc/14/86/01/462148601.db2.gz XPZXQFAOSNYECW-UHFFFAOYSA-N 2 2 329.835 3.422 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657507011 462161278 /nfs/dbraw/zinc/16/12/78/462161278.db2.gz ZIZKLMWWHWTTAB-DBVUQKKJSA-N 2 2 332.488 3.207 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657507011 462161284 /nfs/dbraw/zinc/16/12/84/462161284.db2.gz ZIZKLMWWHWTTAB-DBVUQKKJSA-N 2 2 332.488 3.207 20 0 EGADLP COC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1cccc(OC)c1 ZINC000657613570 462204225 /nfs/dbraw/zinc/20/42/25/462204225.db2.gz WMBQWZUOANNJHC-SFHVURJKSA-N 2 2 325.412 3.129 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657675777 462225509 /nfs/dbraw/zinc/22/55/09/462225509.db2.gz ZOFQCVBLSRCWGH-AEFFLSMTSA-N 2 2 329.488 3.400 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657675777 462225513 /nfs/dbraw/zinc/22/55/13/462225513.db2.gz ZOFQCVBLSRCWGH-AEFFLSMTSA-N 2 2 329.488 3.400 20 0 EGADLP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000657750758 462252391 /nfs/dbraw/zinc/25/23/91/462252391.db2.gz CGEONRJPSWVOLW-SJORKVTESA-N 2 2 334.891 3.040 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780439 462275029 /nfs/dbraw/zinc/27/50/29/462275029.db2.gz JDIFQOYQIZAQCB-QZTJIDSGSA-N 2 2 335.536 3.044 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780439 462275033 /nfs/dbraw/zinc/27/50/33/462275033.db2.gz JDIFQOYQIZAQCB-QZTJIDSGSA-N 2 2 335.536 3.044 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650944 462289099 /nfs/dbraw/zinc/28/90/99/462289099.db2.gz FSCLSMBELLCJNC-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650944 462289103 /nfs/dbraw/zinc/28/91/03/462289103.db2.gz FSCLSMBELLCJNC-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000651650944 462289108 /nfs/dbraw/zinc/28/91/08/462289108.db2.gz FSCLSMBELLCJNC-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000651650944 462289115 /nfs/dbraw/zinc/28/91/15/462289115.db2.gz FSCLSMBELLCJNC-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657881222 462307035 /nfs/dbraw/zinc/30/70/35/462307035.db2.gz RPVQEAKRIISBNL-SZVBFZGTSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657881222 462307038 /nfs/dbraw/zinc/30/70/38/462307038.db2.gz RPVQEAKRIISBNL-SZVBFZGTSA-N 2 2 335.923 3.202 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661642996 462345264 /nfs/dbraw/zinc/34/52/64/462345264.db2.gz DECXKERAJQJRIP-FQEVSTJZSA-N 2 2 348.494 3.392 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661642996 462345268 /nfs/dbraw/zinc/34/52/68/462345268.db2.gz DECXKERAJQJRIP-FQEVSTJZSA-N 2 2 348.494 3.392 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cncc(Br)c1 ZINC000658006959 462345691 /nfs/dbraw/zinc/34/56/91/462345691.db2.gz MJRNEOHGSANLEZ-NSHDSACASA-N 2 2 335.249 3.228 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000665251240 462369282 /nfs/dbraw/zinc/36/92/82/462369282.db2.gz KSQAVNWVVAUPPE-IWMITWMQSA-N 2 2 337.467 3.441 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000658186595 462422678 /nfs/dbraw/zinc/42/26/78/462422678.db2.gz IBPNRNMZZTVXRN-KDOFPFPSSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000658186595 462422684 /nfs/dbraw/zinc/42/26/84/462422684.db2.gz IBPNRNMZZTVXRN-KDOFPFPSSA-N 2 2 329.444 3.170 20 0 EGADLP C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534988 462432803 /nfs/dbraw/zinc/43/28/03/462432803.db2.gz YHGDZFALTDZNJB-QGZVFWFLSA-N 2 2 348.539 3.437 20 0 EGADLP C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534988 462432809 /nfs/dbraw/zinc/43/28/09/462432809.db2.gz YHGDZFALTDZNJB-QGZVFWFLSA-N 2 2 348.539 3.437 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)c2C1 ZINC000649214520 462441887 /nfs/dbraw/zinc/44/18/87/462441887.db2.gz BJEIYMAWKZBVAV-INIZCTEOSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)c2C1 ZINC000649214520 462441890 /nfs/dbraw/zinc/44/18/90/462441890.db2.gz BJEIYMAWKZBVAV-INIZCTEOSA-N 2 2 338.455 3.056 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000645852368 462445538 /nfs/dbraw/zinc/44/55/38/462445538.db2.gz QCWNSSHYWGXPJA-KRWDZBQOSA-N 2 2 349.272 3.408 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286780 462456239 /nfs/dbraw/zinc/45/62/39/462456239.db2.gz VBUAHJLMNYINHM-CVEARBPZSA-N 2 2 336.476 3.237 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286780 462456243 /nfs/dbraw/zinc/45/62/43/462456243.db2.gz VBUAHJLMNYINHM-CVEARBPZSA-N 2 2 336.476 3.237 20 0 EGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000658292216 462460289 /nfs/dbraw/zinc/46/02/89/462460289.db2.gz ROWVORZVVJGGFT-AZUAARDMSA-N 2 2 332.488 3.379 20 0 EGADLP C1CCC(OC2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)C1 ZINC000658293728 462460404 /nfs/dbraw/zinc/46/04/04/462460404.db2.gz BGHLVHVDAHBVHF-KGXSXCIVSA-N 2 2 336.520 3.100 20 0 EGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295722 462461578 /nfs/dbraw/zinc/46/15/78/462461578.db2.gz VIWFVXHDTWBFPY-LEWJYISDSA-N 2 2 330.516 3.487 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658296120 462462884 /nfs/dbraw/zinc/46/28/84/462462884.db2.gz QWKQFIBLMLFPEN-HOJAQTOUSA-N 2 2 343.515 3.259 20 0 EGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000646048483 462502690 /nfs/dbraw/zinc/50/26/90/462502690.db2.gz QCLLPXNFTBYZCW-FQEVSTJZSA-N 2 2 326.488 3.258 20 0 EGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000646048483 462502694 /nfs/dbraw/zinc/50/26/94/462502694.db2.gz QCLLPXNFTBYZCW-FQEVSTJZSA-N 2 2 326.488 3.258 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416946 462503117 /nfs/dbraw/zinc/50/31/17/462503117.db2.gz REBSOTBICDCICD-SJLPKXTDSA-N 2 2 329.513 3.488 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416946 462503120 /nfs/dbraw/zinc/50/31/20/462503120.db2.gz REBSOTBICDCICD-SJLPKXTDSA-N 2 2 329.513 3.488 20 0 EGADLP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Nc1cccc(F)c1 ZINC000485283207 518198612 /nfs/dbraw/zinc/19/86/12/518198612.db2.gz FAVZDUFGRVGSIN-UHFFFAOYSA-N 2 2 333.451 3.151 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189756799 528196030 /nfs/dbraw/zinc/19/60/30/528196030.db2.gz QIIDOSJMPGFZOL-UHFFFAOYSA-N 2 2 344.478 3.377 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189756799 528196039 /nfs/dbraw/zinc/19/60/39/528196039.db2.gz QIIDOSJMPGFZOL-UHFFFAOYSA-N 2 2 344.478 3.377 20 0 EGADLP CCOc1cc2[nH+]ccc(N(C)Cc3[nH+]ccn3C)c2cc1OCC ZINC000347901120 535692407 /nfs/dbraw/zinc/69/24/07/535692407.db2.gz MLRKTEGTWNNKDN-UHFFFAOYSA-N 2 2 340.427 3.402 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)[nH+]c12 ZINC000156322188 546910246 /nfs/dbraw/zinc/91/02/46/546910246.db2.gz WDSZWAHFWKSWBA-HNNXBMFYSA-N 2 2 337.423 3.307 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000157631619 546921561 /nfs/dbraw/zinc/92/15/61/546921561.db2.gz KEDKDPZXWGSZAH-GOSISDBHSA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000157631619 546921566 /nfs/dbraw/zinc/92/15/66/546921566.db2.gz KEDKDPZXWGSZAH-GOSISDBHSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000180591271 547059024 /nfs/dbraw/zinc/05/90/24/547059024.db2.gz MHLGZMQPVSHAGC-HOTGVXAUSA-N 2 2 342.487 3.269 20 0 EGADLP CCc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc(C)[nH+]1 ZINC000278931881 547363565 /nfs/dbraw/zinc/36/35/65/547363565.db2.gz VBZOCPVJSOBCRC-UHFFFAOYSA-N 2 2 325.460 3.264 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000280005461 547368678 /nfs/dbraw/zinc/36/86/78/547368678.db2.gz GGUDSLLSEYAHDP-INIZCTEOSA-N 2 2 327.428 3.178 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569583 /nfs/dbraw/zinc/56/95/83/547569583.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569590 /nfs/dbraw/zinc/56/95/90/547569590.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569595 /nfs/dbraw/zinc/56/95/95/547569595.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068281 547569602 /nfs/dbraw/zinc/56/96/02/547569602.db2.gz CWRWGCPATRGMIF-SQNIBIBYSA-N 3 2 333.545 3.177 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000399140346 547836757 /nfs/dbraw/zinc/83/67/57/547836757.db2.gz UEDCBOBOQKMSPA-WMLDXEAASA-N 2 2 331.485 3.152 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000399140346 547836761 /nfs/dbraw/zinc/83/67/61/547836761.db2.gz UEDCBOBOQKMSPA-WMLDXEAASA-N 2 2 331.485 3.152 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000671746840 548351078 /nfs/dbraw/zinc/35/10/78/548351078.db2.gz OMNRWAGBNAUWPR-KDOFPFPSSA-N 2 2 332.488 3.017 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000671746840 548351082 /nfs/dbraw/zinc/35/10/82/548351082.db2.gz OMNRWAGBNAUWPR-KDOFPFPSSA-N 2 2 332.488 3.017 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc4[nH]c(=O)oc4c3)[nH+]c12 ZINC000671749645 548352577 /nfs/dbraw/zinc/35/25/77/548352577.db2.gz BHHRIPIVENARAQ-ZDUSSCGKSA-N 2 2 336.395 3.383 20 0 EGADLP Cc1ccc(-c2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cs2)o1 ZINC000675499310 548930457 /nfs/dbraw/zinc/93/04/57/548930457.db2.gz HBBKWFLUDGOJSC-UHFFFAOYSA-N 2 2 340.452 3.429 20 0 EGADLP c1ccc(N2CCC([NH2+]CCN3CCCc4ccccc43)CC2)[nH+]c1 ZINC000675783470 548980793 /nfs/dbraw/zinc/98/07/93/548980793.db2.gz IAXOYGZJBLAXDX-UHFFFAOYSA-N 2 2 336.483 3.093 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000675934771 549006909 /nfs/dbraw/zinc/00/69/09/549006909.db2.gz VCEAJGGSBMBJAN-GOSISDBHSA-N 2 2 326.431 3.362 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000677985095 549370065 /nfs/dbraw/zinc/37/00/65/549370065.db2.gz YIQLAZBOJPNSPZ-UHFFFAOYSA-N 2 2 337.427 3.121 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000678190555 549421228 /nfs/dbraw/zinc/42/12/28/549421228.db2.gz JQOPWIGCDUMGFS-OAHLLOKOSA-N 2 2 337.427 3.188 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000678190555 549421230 /nfs/dbraw/zinc/42/12/30/549421230.db2.gz JQOPWIGCDUMGFS-OAHLLOKOSA-N 2 2 337.427 3.188 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000678226091 549430647 /nfs/dbraw/zinc/43/06/47/549430647.db2.gz JOGKKSIBDPMBHJ-UHFFFAOYSA-N 2 2 328.460 3.048 20 0 EGADLP Cc1cccn2c(CN3CC[C@H]([N@H+](C)Cc4ccccc4)C3)c[nH+]c12 ZINC000678279752 549457199 /nfs/dbraw/zinc/45/71/99/549457199.db2.gz SLZDGGMHBDBOEE-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2c(CN3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)c[nH+]c12 ZINC000678279752 549457200 /nfs/dbraw/zinc/45/72/00/549457200.db2.gz SLZDGGMHBDBOEE-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP C[C@H]([NH2+]Cc1csc(N(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679627509 549742462 /nfs/dbraw/zinc/74/24/62/549742462.db2.gz NXBPHFAZZDPIMK-RDJZCZTQSA-N 2 2 344.528 3.209 20 0 EGADLP C[C@H]([NH2+]Cc1csc(N(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679627509 549742465 /nfs/dbraw/zinc/74/24/65/549742465.db2.gz NXBPHFAZZDPIMK-RDJZCZTQSA-N 2 2 344.528 3.209 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721227 549768001 /nfs/dbraw/zinc/76/80/01/549768001.db2.gz IMDJRYXGBDTQFP-CVEARBPZSA-N 2 2 326.488 3.316 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721227 549768004 /nfs/dbraw/zinc/76/80/04/549768004.db2.gz IMDJRYXGBDTQFP-CVEARBPZSA-N 2 2 326.488 3.316 20 0 EGADLP Cc1cccn2cc(CCNc3cc[nH+]c(N4CCCCC4)n3)[nH+]c12 ZINC000680529397 549874441 /nfs/dbraw/zinc/87/44/41/549874441.db2.gz RFFMMUCDGWVECV-UHFFFAOYSA-N 2 2 336.443 3.078 20 0 EGADLP Oc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000684412420 550327256 /nfs/dbraw/zinc/32/72/56/550327256.db2.gz KOAOMJBRMDSPSA-UHFFFAOYSA-N 2 2 328.378 3.287 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000684836586 550374964 /nfs/dbraw/zinc/37/49/64/550374964.db2.gz OTZGAIOGKMXFND-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000684836586 550374965 /nfs/dbraw/zinc/37/49/65/550374965.db2.gz OTZGAIOGKMXFND-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP C[C@H]1[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000685079314 550398200 /nfs/dbraw/zinc/39/82/00/550398200.db2.gz FIMDXGCPAVWPOC-MAUKXSAKSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@H]1[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000685079314 550398202 /nfs/dbraw/zinc/39/82/02/550398202.db2.gz FIMDXGCPAVWPOC-MAUKXSAKSA-N 2 2 349.438 3.119 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000685307785 550409910 /nfs/dbraw/zinc/40/99/10/550409910.db2.gz VVYRCSZYINGERI-SFHVURJKSA-N 2 2 349.438 3.032 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000685876324 550450756 /nfs/dbraw/zinc/45/07/56/550450756.db2.gz KRKQSRPVKASTHR-SJORKVTESA-N 2 2 332.492 3.221 20 0 EGADLP CCc1cccc(NC(=O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000732231706 575247394 /nfs/dbraw/zinc/24/73/94/575247394.db2.gz VOQCSEWJPSBUIR-UHFFFAOYSA-N 2 2 334.423 3.163 20 0 EGADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000738518148 576333436 /nfs/dbraw/zinc/33/34/36/576333436.db2.gz ONFWVQRZRFFGER-UHFFFAOYSA-N 2 2 348.450 3.206 20 0 EGADLP O[C@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)C[NH+]1CCCC1 ZINC000060270304 1291920587 /nfs/dbraw/zinc/92/05/87/1291920587.db2.gz FQUCKGRTNNFQED-GOSISDBHSA-N 2 2 326.440 3.025 20 0 EGADLP Fc1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)ccc1-n1cc[nH+]c1 ZINC000067977599 1292179603 /nfs/dbraw/zinc/17/96/03/1292179603.db2.gz XYVKBSLVAUEUCA-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000834789217 1293148900 /nfs/dbraw/zinc/14/89/00/1293148900.db2.gz AUIYKLYEJSNICE-PXNSSMCTSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000834789217 1293148904 /nfs/dbraw/zinc/14/89/04/1293148904.db2.gz AUIYKLYEJSNICE-PXNSSMCTSA-N 2 2 326.488 3.466 20 0 EGADLP CC(C)CCOCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000119547317 1293276624 /nfs/dbraw/zinc/27/66/24/1293276624.db2.gz CKZVRXFACBSLEP-UHFFFAOYSA-N 2 2 333.520 3.374 20 0 EGADLP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128563439 1293597310 /nfs/dbraw/zinc/59/73/10/1293597310.db2.gz ARBFGGFKWMEASI-INIZCTEOSA-N 2 2 348.450 3.425 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000128656380 1293600460 /nfs/dbraw/zinc/60/04/60/1293600460.db2.gz KXCUCIKGZLWMND-UONOGXRCSA-N 2 2 341.293 3.420 20 0 EGADLP O[C@@H](c1ccccc1)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000129745790 1293633076 /nfs/dbraw/zinc/63/30/76/1293633076.db2.gz RJEQLENEKACGEB-FQEVSTJZSA-N 2 2 333.435 3.476 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC000130985652 1293674880 /nfs/dbraw/zinc/67/48/80/1293674880.db2.gz DZQQUUSXHQUQLM-HNNXBMFYSA-N 2 2 335.455 3.273 20 0 EGADLP Cc1cccc([C@@H](O)C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000131762242 1293699859 /nfs/dbraw/zinc/69/98/59/1293699859.db2.gz ZLYNYVLLEYSOBF-NRFANRHFSA-N 2 2 335.451 3.427 20 0 EGADLP Cc1cccc([C@@H](O)C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000131762242 1293699863 /nfs/dbraw/zinc/69/98/63/1293699863.db2.gz ZLYNYVLLEYSOBF-NRFANRHFSA-N 2 2 335.451 3.427 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919338 1293783660 /nfs/dbraw/zinc/78/36/60/1293783660.db2.gz UVIGTHZCDGJDPI-XLIONFOSSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919338 1293783663 /nfs/dbraw/zinc/78/36/63/1293783663.db2.gz UVIGTHZCDGJDPI-XLIONFOSSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919338 1293783667 /nfs/dbraw/zinc/78/36/67/1293783667.db2.gz UVIGTHZCDGJDPI-XLIONFOSSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000134919338 1293783670 /nfs/dbraw/zinc/78/36/70/1293783670.db2.gz UVIGTHZCDGJDPI-XLIONFOSSA-N 2 2 347.547 3.164 20 0 EGADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000150945426 1293899759 /nfs/dbraw/zinc/89/97/59/1293899759.db2.gz DCZAEMDSXCWMSF-CYBMUJFWSA-N 2 2 326.843 3.070 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157674481 1294184467 /nfs/dbraw/zinc/18/44/67/1294184467.db2.gz UKWYRQDTWZLZHP-IFXJQAMLSA-N 2 2 325.387 3.396 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(OCC4CC4)nc3)cc2)c[nH+]1 ZINC000159964051 1294252584 /nfs/dbraw/zinc/25/25/84/1294252584.db2.gz WQSCBSJAAKJDPH-UHFFFAOYSA-N 2 2 334.423 3.346 20 0 EGADLP CCC(CC)[C@@H](O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000162233729 1294311033 /nfs/dbraw/zinc/31/10/33/1294311033.db2.gz LJYZKQJWTLXPMA-FQEVSTJZSA-N 2 2 333.520 3.108 20 0 EGADLP CC(C)C[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000174028077 1294476956 /nfs/dbraw/zinc/47/69/56/1294476956.db2.gz HPVRXJUNHLFGSG-JCYILVPMSA-N 2 2 341.540 3.388 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962100 1294534046 /nfs/dbraw/zinc/53/40/46/1294534046.db2.gz IASWOSXRMAXHBF-UYAOXDASSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962100 1294534048 /nfs/dbraw/zinc/53/40/48/1294534048.db2.gz IASWOSXRMAXHBF-UYAOXDASSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962100 1294534056 /nfs/dbraw/zinc/53/40/56/1294534056.db2.gz IASWOSXRMAXHBF-UYAOXDASSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962100 1294534059 /nfs/dbraw/zinc/53/40/59/1294534059.db2.gz IASWOSXRMAXHBF-UYAOXDASSA-N 2 2 343.515 3.154 20 0 EGADLP O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181138203 1294941830 /nfs/dbraw/zinc/94/18/30/1294941830.db2.gz DFQBFSLFENAOLC-HXUWFJFHSA-N 2 2 347.418 3.304 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)cc1O ZINC000184833410 1295222964 /nfs/dbraw/zinc/22/29/64/1295222964.db2.gz NHABTYRHNGXWOX-LLVKDONJSA-N 2 2 329.282 3.393 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000192175761 1295741184 /nfs/dbraw/zinc/74/11/84/1295741184.db2.gz LENBHXNTKBFHSC-GOSISDBHSA-N 2 2 341.455 3.156 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000192175761 1295741192 /nfs/dbraw/zinc/74/11/92/1295741192.db2.gz LENBHXNTKBFHSC-GOSISDBHSA-N 2 2 341.455 3.156 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000237122718 1296221873 /nfs/dbraw/zinc/22/18/73/1296221873.db2.gz IWRPOKAASGQTBM-UHFFFAOYSA-N 2 2 332.488 3.208 20 0 EGADLP [NH3+][C@@H](CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000237943949 1296272227 /nfs/dbraw/zinc/27/22/27/1296272227.db2.gz ZVTNLAMPOLGLHL-FQEVSTJZSA-N 2 2 348.450 3.028 20 0 EGADLP [NH3+][C@@H](C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1)C1CCCC1 ZINC000871666317 1296471936 /nfs/dbraw/zinc/47/19/36/1296471936.db2.gz CIVRDFHHYKENIT-AEFFLSMTSA-N 2 2 343.519 3.201 20 0 EGADLP [NH3+][C@@H](C[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1)C1CCCC1 ZINC000871666317 1296471941 /nfs/dbraw/zinc/47/19/41/1296471941.db2.gz CIVRDFHHYKENIT-AEFFLSMTSA-N 2 2 343.519 3.201 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871877343 1296587648 /nfs/dbraw/zinc/58/76/48/1296587648.db2.gz GFQRNNVGKSVHCM-LJQANCHMSA-N 2 2 331.504 3.199 20 0 EGADLP Cn1c2ccccc2c(Br)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000873006780 1297220416 /nfs/dbraw/zinc/22/04/16/1297220416.db2.gz QXEHHWFTSKNBFE-UHFFFAOYSA-N 2 2 347.260 3.317 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000327114341 1297244452 /nfs/dbraw/zinc/24/44/52/1297244452.db2.gz GHJOCOJMMACSNG-VQTJNVASSA-N 2 2 346.515 3.387 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000328218337 1297254997 /nfs/dbraw/zinc/25/49/97/1297254997.db2.gz XQBMXFUOKLRDDS-GOSISDBHSA-N 2 2 347.503 3.285 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000328218337 1297255004 /nfs/dbraw/zinc/25/50/04/1297255004.db2.gz XQBMXFUOKLRDDS-GOSISDBHSA-N 2 2 347.503 3.285 20 0 EGADLP CC[NH+](CC)[C@@H](c1nc([C@@H]2C[NH+]3CCC2CC3)no1)c1ccccc1 ZINC000350065590 1297390496 /nfs/dbraw/zinc/39/04/96/1297390496.db2.gz ALKNJSBFEZQRAC-QZTJIDSGSA-N 2 2 340.471 3.310 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373114608 1297514628 /nfs/dbraw/zinc/51/46/28/1297514628.db2.gz BMKVWVKDCAIAHF-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373114608 1297514633 /nfs/dbraw/zinc/51/46/33/1297514633.db2.gz BMKVWVKDCAIAHF-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000383087857 1297568692 /nfs/dbraw/zinc/56/86/92/1297568692.db2.gz KQJRCOABNKRHEU-UHFFFAOYSA-N 2 2 326.488 3.284 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398044352 1297711677 /nfs/dbraw/zinc/71/16/77/1297711677.db2.gz UVEDJPCHERZNHI-MAUKXSAKSA-N 2 2 325.456 3.096 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398044352 1297711687 /nfs/dbraw/zinc/71/16/87/1297711687.db2.gz UVEDJPCHERZNHI-MAUKXSAKSA-N 2 2 325.456 3.096 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124790 1297713241 /nfs/dbraw/zinc/71/32/41/1297713241.db2.gz HWMUCSCQBSAHSN-FXAWDEMLSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124790 1297713248 /nfs/dbraw/zinc/71/32/48/1297713248.db2.gz HWMUCSCQBSAHSN-FXAWDEMLSA-N 2 2 334.467 3.335 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C12CCC2 ZINC000453178155 1297891787 /nfs/dbraw/zinc/89/17/87/1297891787.db2.gz SBYYWTOJRHUPAC-KFKAGJAMSA-N 2 2 329.488 3.154 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000692138649 1298140949 /nfs/dbraw/zinc/14/09/49/1298140949.db2.gz KLLPMHIFQPZUSC-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000877429093 1299294485 /nfs/dbraw/zinc/29/44/85/1299294485.db2.gz AWTVFOGJJJEHKZ-INIZCTEOSA-N 2 2 342.443 3.335 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccnc(N(C)C)c3)C2)CC1 ZINC000754032396 1300068610 /nfs/dbraw/zinc/06/86/10/1300068610.db2.gz LCFMSMBUSLSCDJ-LJQANCHMSA-N 2 2 330.520 3.092 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccnc(N(C)C)c3)C2)CC1 ZINC000754032396 1300068622 /nfs/dbraw/zinc/06/86/22/1300068622.db2.gz LCFMSMBUSLSCDJ-LJQANCHMSA-N 2 2 330.520 3.092 20 0 EGADLP Clc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000878748433 1300172790 /nfs/dbraw/zinc/17/27/90/1300172790.db2.gz VEWGHQFMKALYBW-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP Clc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000878748433 1300172794 /nfs/dbraw/zinc/17/27/94/1300172794.db2.gz VEWGHQFMKALYBW-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568634 1301164487 /nfs/dbraw/zinc/16/44/87/1301164487.db2.gz BQMLLQTVPQVEEP-SFTDATJTSA-N 2 2 335.451 3.208 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569477 1301165656 /nfs/dbraw/zinc/16/56/56/1301165656.db2.gz LWZCSXINHSJPRA-JRGCBEDISA-N 2 2 335.451 3.379 20 0 EGADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571894 1301166171 /nfs/dbraw/zinc/16/61/71/1301166171.db2.gz VCJBAAVEVKFWBL-IEBWSBKVSA-N 2 2 342.487 3.107 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000765322443 1302245491 /nfs/dbraw/zinc/24/54/91/1302245491.db2.gz FRQZYUGEZWZMSR-YJBOKZPZSA-N 2 2 326.488 3.370 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000765322443 1302245495 /nfs/dbraw/zinc/24/54/95/1302245495.db2.gz FRQZYUGEZWZMSR-YJBOKZPZSA-N 2 2 326.488 3.370 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000765322435 1302246109 /nfs/dbraw/zinc/24/61/09/1302246109.db2.gz FRQZYUGEZWZMSR-MAUKXSAKSA-N 2 2 326.488 3.370 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000765322435 1302246118 /nfs/dbraw/zinc/24/61/18/1302246118.db2.gz FRQZYUGEZWZMSR-MAUKXSAKSA-N 2 2 326.488 3.370 20 0 EGADLP COCCc1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883397697 1302431843 /nfs/dbraw/zinc/43/18/43/1302431843.db2.gz SPMADWOIIOOJSS-KRWDZBQOSA-N 2 2 342.468 3.060 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000768109644 1302825826 /nfs/dbraw/zinc/82/58/26/1302825826.db2.gz WVWDMQFXBRFKCK-MJGOQNOKSA-N 2 2 334.529 3.490 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCC[C@H]1C1OCCO1 ZINC000769299173 1303088008 /nfs/dbraw/zinc/08/80/08/1303088008.db2.gz VOPFNQMIXUEZNP-IBGZPJMESA-N 2 2 346.515 3.372 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCC[C@H]1C1OCCO1 ZINC000769299173 1303088019 /nfs/dbraw/zinc/08/80/19/1303088019.db2.gz VOPFNQMIXUEZNP-IBGZPJMESA-N 2 2 346.515 3.372 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000769299173 1303088023 /nfs/dbraw/zinc/08/80/23/1303088023.db2.gz VOPFNQMIXUEZNP-IBGZPJMESA-N 2 2 346.515 3.372 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000769299173 1303088031 /nfs/dbraw/zinc/08/80/31/1303088031.db2.gz VOPFNQMIXUEZNP-IBGZPJMESA-N 2 2 346.515 3.372 20 0 EGADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000769873969 1303186927 /nfs/dbraw/zinc/18/69/27/1303186927.db2.gz JEYPSLTUINBHQX-HNNXBMFYSA-N 2 2 343.471 3.228 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC000770398770 1303261779 /nfs/dbraw/zinc/26/17/79/1303261779.db2.gz UPJWYFSSKYFYDT-SFHVURJKSA-N 2 2 336.439 3.147 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)[nH+]c1C ZINC000886672664 1303551566 /nfs/dbraw/zinc/55/15/66/1303551566.db2.gz SMASSESPLZIBJL-UHFFFAOYSA-N 2 2 337.427 3.456 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685952 1303560991 /nfs/dbraw/zinc/56/09/91/1303560991.db2.gz HIHFXIXDDRLNHF-SFHVURJKSA-N 2 2 333.439 3.350 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685952 1303560999 /nfs/dbraw/zinc/56/09/99/1303560999.db2.gz HIHFXIXDDRLNHF-SFHVURJKSA-N 2 2 333.439 3.350 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868150 1303619209 /nfs/dbraw/zinc/61/92/09/1303619209.db2.gz WQCLKBPWTJOSBZ-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868150 1303619215 /nfs/dbraw/zinc/61/92/15/1303619215.db2.gz WQCLKBPWTJOSBZ-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886870280 1303621005 /nfs/dbraw/zinc/62/10/05/1303621005.db2.gz USEBUUFWJQZIJZ-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886870280 1303621009 /nfs/dbraw/zinc/62/10/09/1303621009.db2.gz USEBUUFWJQZIJZ-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000887130925 1303685177 /nfs/dbraw/zinc/68/51/77/1303685177.db2.gz NNNWGHFDIQFWFE-MRXNPFEDSA-N 2 2 334.423 3.447 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000887130925 1303685182 /nfs/dbraw/zinc/68/51/82/1303685182.db2.gz NNNWGHFDIQFWFE-MRXNPFEDSA-N 2 2 334.423 3.447 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000774969697 1303883845 /nfs/dbraw/zinc/88/38/45/1303883845.db2.gz VBPRWSKLZJGDKW-KRWDZBQOSA-N 2 2 325.456 3.407 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609216 1303992814 /nfs/dbraw/zinc/99/28/14/1303992814.db2.gz SNZSFFVVSQOMAZ-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609216 1303992817 /nfs/dbraw/zinc/99/28/17/1303992817.db2.gz SNZSFFVVSQOMAZ-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609216 1303992824 /nfs/dbraw/zinc/99/28/24/1303992824.db2.gz SNZSFFVVSQOMAZ-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609216 1303992829 /nfs/dbraw/zinc/99/28/29/1303992829.db2.gz SNZSFFVVSQOMAZ-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000779009490 1304518208 /nfs/dbraw/zinc/51/82/08/1304518208.db2.gz GXBJNIIRXHXRQZ-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000779009490 1304518209 /nfs/dbraw/zinc/51/82/09/1304518209.db2.gz GXBJNIIRXHXRQZ-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH2+][C@H](c2ccccc2)C(C)(C)C)C1 ZINC000783974726 1305170729 /nfs/dbraw/zinc/17/07/29/1305170729.db2.gz RRWNYEZIPNWKPO-VQIMIIECSA-N 2 2 340.471 3.071 20 0 EGADLP Cc1cc(F)ncc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000891839297 1305183737 /nfs/dbraw/zinc/18/37/37/1305183737.db2.gz BNHWFHQWZQDSIJ-UHFFFAOYSA-N 2 2 342.462 3.063 20 0 EGADLP Cc1cc(F)ncc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000891839297 1305183742 /nfs/dbraw/zinc/18/37/42/1305183742.db2.gz BNHWFHQWZQDSIJ-UHFFFAOYSA-N 2 2 342.462 3.063 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893099137 1305706414 /nfs/dbraw/zinc/70/64/14/1305706414.db2.gz WKUNLTRBJDJTOY-OXJNMPFZSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893099137 1305706419 /nfs/dbraw/zinc/70/64/19/1305706419.db2.gz WKUNLTRBJDJTOY-OXJNMPFZSA-N 2 2 338.499 3.440 20 0 EGADLP CCC[C@H]1CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788381810 1305933139 /nfs/dbraw/zinc/93/31/39/1305933139.db2.gz HTOFQXCCIXNCEH-INIZCTEOSA-N 2 2 344.503 3.005 20 0 EGADLP Clc1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cnn1Cc1ccccc1 ZINC000790512862 1306342166 /nfs/dbraw/zinc/34/21/66/1306342166.db2.gz CJJYKGVPXCGBAR-INIZCTEOSA-N 2 2 344.890 3.159 20 0 EGADLP Clc1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cnn1Cc1ccccc1 ZINC000790512862 1306342175 /nfs/dbraw/zinc/34/21/75/1306342175.db2.gz CJJYKGVPXCGBAR-INIZCTEOSA-N 2 2 344.890 3.159 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000791011073 1308909192 /nfs/dbraw/zinc/90/91/92/1308909192.db2.gz MLUNNLKJOAIWEI-UHFFFAOYSA-N 2 2 326.916 3.409 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000791392489 1308978372 /nfs/dbraw/zinc/97/83/72/1308978372.db2.gz RJRBZOJRTOMEMA-IXDOHACOSA-N 2 2 341.455 3.485 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000791392489 1308978376 /nfs/dbraw/zinc/97/83/76/1308978376.db2.gz RJRBZOJRTOMEMA-IXDOHACOSA-N 2 2 341.455 3.485 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(C)n1 ZINC000793521652 1309392351 /nfs/dbraw/zinc/39/23/51/1309392351.db2.gz DINGPVJMQMZBGK-QGZVFWFLSA-N 2 2 326.488 3.086 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793534067 1309398152 /nfs/dbraw/zinc/39/81/52/1309398152.db2.gz OIEFKAQTKIEFPY-IEZWGBDMSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000793534067 1309398161 /nfs/dbraw/zinc/39/81/61/1309398161.db2.gz OIEFKAQTKIEFPY-IEZWGBDMSA-N 2 2 326.488 3.290 20 0 EGADLP CC1(C)OCc2cc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)ccc2O1 ZINC000895671475 1309458238 /nfs/dbraw/zinc/45/82/38/1309458238.db2.gz PKJJHYZIIQYORU-UHFFFAOYSA-N 2 2 330.472 3.392 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000796704011 1310067775 /nfs/dbraw/zinc/06/77/75/1310067775.db2.gz YWXLRTOFOFQPRH-SWLSCSKDSA-N 2 2 335.473 3.497 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC000796786567 1310087863 /nfs/dbraw/zinc/08/78/63/1310087863.db2.gz LOWAXBQZDOSKOA-UHFFFAOYSA-N 3 2 344.547 3.184 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985463 1310540774 /nfs/dbraw/zinc/54/07/74/1310540774.db2.gz NIDJWADPKHBQFV-UHFFFAOYSA-N 2 2 328.435 3.322 20 0 EGADLP CC(C)(CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)n1cc[nH+]c1 ZINC000898910084 1310868251 /nfs/dbraw/zinc/86/82/51/1310868251.db2.gz JCUFNBQSHOBVCR-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000825101961 1320310171 /nfs/dbraw/zinc/31/01/71/1320310171.db2.gz IVRNBVBVDKTVPU-ARFHVFGLSA-N 2 2 346.462 3.208 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC=C(C)C)C1 ZINC000957113298 1317195302 /nfs/dbraw/zinc/19/53/02/1317195302.db2.gz IZWVVKMVZMOYMB-LJQANCHMSA-N 2 2 335.536 3.140 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(CC)C1C[NH+](CC=C(C)C)C1 ZINC000957113298 1317195306 /nfs/dbraw/zinc/19/53/06/1317195306.db2.gz IZWVVKMVZMOYMB-LJQANCHMSA-N 2 2 335.536 3.140 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccc2ccccc2c1 ZINC001019561955 1317292238 /nfs/dbraw/zinc/29/22/38/1317292238.db2.gz CKMKGABAGUYONH-BEFAXECRSA-N 2 2 348.450 3.057 20 0 EGADLP COCc1cc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1OC ZINC000902442550 1317580034 /nfs/dbraw/zinc/58/00/34/1317580034.db2.gz JMBWILBXMPLHRZ-CFSSXQINSA-N 2 2 326.440 3.117 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446849 1317580108 /nfs/dbraw/zinc/58/01/08/1317580108.db2.gz VMTUJRXQXKWCNF-OEPMTFCVSA-N 2 2 343.858 3.271 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000902485092 1317582451 /nfs/dbraw/zinc/58/24/51/1317582451.db2.gz YWGLYCGNYWKGHU-AEFFLSMTSA-N 2 2 342.487 3.182 20 0 EGADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165608 1317636327 /nfs/dbraw/zinc/63/63/27/1317636327.db2.gz RFPBDCQMGDEZDX-LJQANCHMSA-N 2 2 343.515 3.189 20 0 EGADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165608 1317636336 /nfs/dbraw/zinc/63/63/36/1317636336.db2.gz RFPBDCQMGDEZDX-LJQANCHMSA-N 2 2 343.515 3.189 20 0 EGADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165608 1317636346 /nfs/dbraw/zinc/63/63/46/1317636346.db2.gz RFPBDCQMGDEZDX-LJQANCHMSA-N 2 2 343.515 3.189 20 0 EGADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165608 1317636352 /nfs/dbraw/zinc/63/63/52/1317636352.db2.gz RFPBDCQMGDEZDX-LJQANCHMSA-N 2 2 343.515 3.189 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000903054138 1317642700 /nfs/dbraw/zinc/64/27/00/1317642700.db2.gz GYRRWNSAUGPHRR-XERREHJYSA-N 2 2 344.499 3.162 20 0 EGADLP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000903106706 1317655154 /nfs/dbraw/zinc/65/51/54/1317655154.db2.gz IYYUVTBZXWAUIM-OAHLLOKOSA-N 2 2 327.428 3.298 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cccs3)C2)c(C)[nH+]1 ZINC001020414915 1317687453 /nfs/dbraw/zinc/68/74/53/1317687453.db2.gz SAFCBZPVDDFANS-WKILWMFISA-N 2 2 343.496 3.161 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000903899835 1317745581 /nfs/dbraw/zinc/74/55/81/1317745581.db2.gz WGWAHXPSLDRATD-MCIONIFRSA-N 2 2 332.460 3.399 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000903899835 1317745587 /nfs/dbraw/zinc/74/55/87/1317745587.db2.gz WGWAHXPSLDRATD-MCIONIFRSA-N 2 2 332.460 3.399 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921109 1317748802 /nfs/dbraw/zinc/74/88/02/1317748802.db2.gz NAUHTVKNFGKBPK-WMLDXEAASA-N 3 2 325.447 3.133 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921109 1317748807 /nfs/dbraw/zinc/74/88/07/1317748807.db2.gz NAUHTVKNFGKBPK-WMLDXEAASA-N 3 2 325.447 3.133 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000904305341 1317827381 /nfs/dbraw/zinc/82/73/81/1317827381.db2.gz LGPPEBWLMZJYJD-INIZCTEOSA-N 2 2 347.503 3.196 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000904448619 1317848449 /nfs/dbraw/zinc/84/84/49/1317848449.db2.gz CQXPDUYRLUDUCX-UHFFFAOYSA-N 2 2 329.831 3.173 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001020818992 1317947649 /nfs/dbraw/zinc/94/76/49/1317947649.db2.gz NAIBTFDCPZUIBK-WBAXXEDZSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858426577 1328759586 /nfs/dbraw/zinc/75/95/86/1328759586.db2.gz QVGMEEPLEPMSRV-LJQANCHMSA-N 2 2 347.409 3.125 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CCC4(CC3)CC[NH+](C)CC4)ccn12 ZINC000908490236 1318352836 /nfs/dbraw/zinc/35/28/36/1318352836.db2.gz MFIAQDOGIQEMIN-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP C[C@H]1C[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000812842354 1318469256 /nfs/dbraw/zinc/46/92/56/1318469256.db2.gz IRBRASKYWVUGAT-DLBZAZTESA-N 2 2 331.504 3.126 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723200 1318610092 /nfs/dbraw/zinc/61/00/92/1318610092.db2.gz RYCZQORPVPMPNU-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723200 1318610098 /nfs/dbraw/zinc/61/00/98/1318610098.db2.gz RYCZQORPVPMPNU-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H]([NH2+][C@H](C)c4ccccc4)C3)ccn12 ZINC001022080658 1318792862 /nfs/dbraw/zinc/79/28/62/1318792862.db2.gz LAWGMDLHRZIIEG-LZQZEXGQSA-N 2 2 348.450 3.254 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001022424225 1318935232 /nfs/dbraw/zinc/93/52/32/1318935232.db2.gz WCICFUQKFKZEBW-HDICACEKSA-N 2 2 348.450 3.002 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584622 1319023371 /nfs/dbraw/zinc/02/33/71/1319023371.db2.gz JRHVDYSLVDLPRF-HZPDHXFCSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584622 1319023378 /nfs/dbraw/zinc/02/33/78/1319023378.db2.gz JRHVDYSLVDLPRF-HZPDHXFCSA-N 2 2 331.460 3.168 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000815654478 1319037057 /nfs/dbraw/zinc/03/70/57/1319037057.db2.gz OGQORXOUEGPIPY-HVJHZFLKSA-N 2 2 342.527 3.354 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000815654478 1319037066 /nfs/dbraw/zinc/03/70/66/1319037066.db2.gz OGQORXOUEGPIPY-HVJHZFLKSA-N 2 2 342.527 3.354 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910024 1319055983 /nfs/dbraw/zinc/05/59/83/1319055983.db2.gz IVOXGTCTCJFHPY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910024 1319055989 /nfs/dbraw/zinc/05/59/89/1319055989.db2.gz IVOXGTCTCJFHPY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910024 1319055998 /nfs/dbraw/zinc/05/59/98/1319055998.db2.gz IVOXGTCTCJFHPY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910024 1319056007 /nfs/dbraw/zinc/05/60/07/1319056007.db2.gz IVOXGTCTCJFHPY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC3(O)CCC3)CC2)cc1 ZINC000817414459 1319353164 /nfs/dbraw/zinc/35/31/64/1319353164.db2.gz LDVMSQBUJXDYSA-UHFFFAOYSA-N 2 2 331.504 3.006 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000817902147 1319454867 /nfs/dbraw/zinc/45/48/67/1319454867.db2.gz JGXQPASUYIRVIN-TYCQWZJGSA-N 2 2 340.467 3.029 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000818179124 1319511180 /nfs/dbraw/zinc/51/11/80/1319511180.db2.gz QDTHDMWQPAOXRS-UHFFFAOYSA-N 2 2 338.467 3.327 20 0 EGADLP O[C@@H](C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)C[NH+]1CCCC1 ZINC000917063316 1319745529 /nfs/dbraw/zinc/74/55/29/1319745529.db2.gz NKOHMULSOSVABN-MRXNPFEDSA-N 2 2 342.405 3.127 20 0 EGADLP O[C@@H](C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)C[NH+]1CCCC1 ZINC000917063316 1319745535 /nfs/dbraw/zinc/74/55/35/1319745535.db2.gz NKOHMULSOSVABN-MRXNPFEDSA-N 2 2 342.405 3.127 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC(C[NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC000962105614 1319824710 /nfs/dbraw/zinc/82/47/10/1319824710.db2.gz AXKJKIUOYJPWCD-UHFFFAOYSA-N 2 2 337.467 3.305 20 0 EGADLP Cc1nnsc1[C@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000930439259 1328854956 /nfs/dbraw/zinc/85/49/56/1328854956.db2.gz IQBARTYRADZAFF-AWEZNQCLSA-N 2 2 339.468 3.278 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876095 1321167202 /nfs/dbraw/zinc/16/72/02/1321167202.db2.gz KIVZCSKCRQWURU-CHWSQXEVSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876095 1321167203 /nfs/dbraw/zinc/16/72/03/1321167203.db2.gz KIVZCSKCRQWURU-CHWSQXEVSA-N 2 2 342.270 3.148 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC(=O)CC ZINC000840941716 1321182972 /nfs/dbraw/zinc/18/29/72/1321182972.db2.gz IYDHGAWPTRTSFM-QGZVFWFLSA-N 2 2 348.487 3.317 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC(=O)CC ZINC000840941716 1321182978 /nfs/dbraw/zinc/18/29/78/1321182978.db2.gz IYDHGAWPTRTSFM-QGZVFWFLSA-N 2 2 348.487 3.317 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841101347 1321218150 /nfs/dbraw/zinc/21/81/50/1321218150.db2.gz ULZCKKRGURQRQH-HIFRSBDPSA-N 2 2 332.879 3.251 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841101347 1321218155 /nfs/dbraw/zinc/21/81/55/1321218155.db2.gz ULZCKKRGURQRQH-HIFRSBDPSA-N 2 2 332.879 3.251 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842477649 1321394156 /nfs/dbraw/zinc/39/41/56/1321394156.db2.gz CIAZSTYFSUPJNK-IIDMSEBBSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842477649 1321394159 /nfs/dbraw/zinc/39/41/59/1321394159.db2.gz CIAZSTYFSUPJNK-IIDMSEBBSA-N 2 2 325.456 3.084 20 0 EGADLP CC[NH+](CC)[C@H](c1nc(CC[NH3+])no1)c1cccc(C(F)(F)F)c1 ZINC000843132380 1321475208 /nfs/dbraw/zinc/47/52/08/1321475208.db2.gz WBHUIMSYSMJQMR-AWEZNQCLSA-N 2 2 342.365 3.021 20 0 EGADLP Cc1cccn2cc(Cc3noc(CC[C@@H]([NH3+])c4ccccc4)n3)[nH+]c12 ZINC000843182401 1321482850 /nfs/dbraw/zinc/48/28/50/1321482850.db2.gz FCOHLLVVZMJWKI-QGZVFWFLSA-N 2 2 347.422 3.249 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845923642 1321754191 /nfs/dbraw/zinc/75/41/91/1321754191.db2.gz USNDTPIITNUBGC-KLAILNCOSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845923642 1321754194 /nfs/dbraw/zinc/75/41/94/1321754194.db2.gz USNDTPIITNUBGC-KLAILNCOSA-N 2 2 339.524 3.001 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000848568421 1321977578 /nfs/dbraw/zinc/97/75/78/1321977578.db2.gz HZDMLVUKNHKQLX-RKDVLTNBSA-N 2 2 328.500 3.423 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000848568421 1321977583 /nfs/dbraw/zinc/97/75/83/1321977583.db2.gz HZDMLVUKNHKQLX-RKDVLTNBSA-N 2 2 328.500 3.423 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)OCC[N@@H+](C)Cc3ccc(F)cc3)ccn12 ZINC000848781939 1322009639 /nfs/dbraw/zinc/00/96/39/1322009639.db2.gz FAVIPSWQIYORBM-UHFFFAOYSA-N 2 2 341.386 3.071 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)OCC[N@H+](C)Cc3ccc(F)cc3)ccn12 ZINC000848781939 1322009646 /nfs/dbraw/zinc/00/96/46/1322009646.db2.gz FAVIPSWQIYORBM-UHFFFAOYSA-N 2 2 341.386 3.071 20 0 EGADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000849077508 1322069027 /nfs/dbraw/zinc/06/90/27/1322069027.db2.gz BOLRNRUBDOMDKE-LPHOPBHVSA-N 2 2 346.519 3.333 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000930935416 1329012367 /nfs/dbraw/zinc/01/23/67/1329012367.db2.gz UKWKULYEMQBKRA-KRWDZBQOSA-N 2 2 348.450 3.205 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000930935416 1329012370 /nfs/dbraw/zinc/01/23/70/1329012370.db2.gz UKWKULYEMQBKRA-KRWDZBQOSA-N 2 2 348.450 3.205 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491841 1322257321 /nfs/dbraw/zinc/25/73/21/1322257321.db2.gz AGOORHFJNLJOCP-BZUAXINKSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491841 1322257318 /nfs/dbraw/zinc/25/73/18/1322257318.db2.gz AGOORHFJNLJOCP-BZUAXINKSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530566 1322341720 /nfs/dbraw/zinc/34/17/20/1322341720.db2.gz DMAZUIKRRMKNBW-ZACQAIPSSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530566 1322341726 /nfs/dbraw/zinc/34/17/26/1322341726.db2.gz DMAZUIKRRMKNBW-ZACQAIPSSA-N 2 2 339.524 3.001 20 0 EGADLP c1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)no2)cc1 ZINC000923504031 1322764826 /nfs/dbraw/zinc/76/48/26/1322764826.db2.gz SKPHPDHCDXAJCM-MRXNPFEDSA-N 2 2 340.471 3.338 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668033 1323103022 /nfs/dbraw/zinc/10/30/22/1323103022.db2.gz CHFRSFBNANMSMR-GJYPPUQNSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668033 1323103026 /nfs/dbraw/zinc/10/30/26/1323103026.db2.gz CHFRSFBNANMSMR-GJYPPUQNSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001024182174 1323193418 /nfs/dbraw/zinc/19/34/18/1323193418.db2.gz NPPOQAPRXIPLKY-PKOBYXMFSA-N 2 2 344.503 3.163 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000924874924 1323195916 /nfs/dbraw/zinc/19/59/16/1323195916.db2.gz VGTIAJCEBBKEJF-KBPBESRZSA-N 2 2 335.473 3.308 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000924874924 1323195927 /nfs/dbraw/zinc/19/59/27/1323195927.db2.gz VGTIAJCEBBKEJF-KBPBESRZSA-N 2 2 335.473 3.308 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000924890864 1323202624 /nfs/dbraw/zinc/20/26/24/1323202624.db2.gz WVRATANYFBYYAC-GVDBMIGSSA-N 2 2 330.520 3.102 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000924928720 1323217062 /nfs/dbraw/zinc/21/70/62/1323217062.db2.gz YOUCFKVWHKIDNE-ZWKOTPCHSA-N 2 2 327.476 3.008 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC000931240223 1329077809 /nfs/dbraw/zinc/07/78/09/1329077809.db2.gz JPYKXOJXBOBFHT-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ncnn21 ZINC000925048311 1323256517 /nfs/dbraw/zinc/25/65/17/1323256517.db2.gz CCKPZAWXSQLTQJ-QFBILLFUSA-N 2 2 339.487 3.450 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)c2ccccn2)CCCC1)c1ccccc1 ZINC000853100006 1323282140 /nfs/dbraw/zinc/28/21/40/1323282140.db2.gz XWYFYHBYCKATAX-XLIONFOSSA-N 2 2 339.483 3.368 20 0 EGADLP CSC1CC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000925112226 1323286558 /nfs/dbraw/zinc/28/65/58/1323286558.db2.gz LWHBWRRMUGBTME-FAEJEUNOSA-N 2 2 334.529 3.370 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510369 1323457416 /nfs/dbraw/zinc/45/74/16/1323457416.db2.gz KJZSYKAYARMIQJ-ZBFHGGJFSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510369 1323457422 /nfs/dbraw/zinc/45/74/22/1323457422.db2.gz KJZSYKAYARMIQJ-ZBFHGGJFSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647603 1323573975 /nfs/dbraw/zinc/57/39/75/1323573975.db2.gz PKQKVXSDRDEGMY-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647603 1323573978 /nfs/dbraw/zinc/57/39/78/1323573978.db2.gz PKQKVXSDRDEGMY-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245144 1324042572 /nfs/dbraw/zinc/04/25/72/1324042572.db2.gz LTJRVHLNVHNQRA-MSOLQXFVSA-N 2 2 326.444 3.042 20 0 EGADLP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245144 1324042585 /nfs/dbraw/zinc/04/25/85/1324042585.db2.gz LTJRVHLNVHNQRA-MSOLQXFVSA-N 2 2 326.444 3.042 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001025458265 1324299928 /nfs/dbraw/zinc/29/99/28/1324299928.db2.gz HLPPVSCXVFARKS-GDBMZVCRSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001025458265 1324299933 /nfs/dbraw/zinc/29/99/33/1324299933.db2.gz HLPPVSCXVFARKS-GDBMZVCRSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001025459433 1324302779 /nfs/dbraw/zinc/30/27/79/1324302779.db2.gz NFRGQPRAWKVBPU-GDBMZVCRSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001025459433 1324302784 /nfs/dbraw/zinc/30/27/84/1324302784.db2.gz NFRGQPRAWKVBPU-GDBMZVCRSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582319 1324423307 /nfs/dbraw/zinc/42/33/07/1324423307.db2.gz RFPKYZAILDXYQF-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582319 1324423310 /nfs/dbraw/zinc/42/33/10/1324423310.db2.gz RFPKYZAILDXYQF-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925135531 1325059478 /nfs/dbraw/zinc/05/94/78/1325059478.db2.gz XSDQBUAJNSTGNK-CQSZACIVSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925135531 1325059485 /nfs/dbraw/zinc/05/94/85/1325059485.db2.gz XSDQBUAJNSTGNK-CQSZACIVSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)c(C)[nH+]1 ZINC001026966309 1325112927 /nfs/dbraw/zinc/11/29/27/1325112927.db2.gz RKUHTFREFQUQKL-KRWDZBQOSA-N 2 2 343.515 3.495 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000925394336 1325140421 /nfs/dbraw/zinc/14/04/21/1325140421.db2.gz WDTCGYALPXEESS-GOSISDBHSA-N 2 2 347.478 3.031 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368239 1325173290 /nfs/dbraw/zinc/17/32/90/1325173290.db2.gz VAPIJSCMAGOEJA-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368239 1325173296 /nfs/dbraw/zinc/17/32/96/1325173296.db2.gz VAPIJSCMAGOEJA-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506092 1325182090 /nfs/dbraw/zinc/18/20/90/1325182090.db2.gz XMGQDKJIHXVWQH-DTXWBZGDSA-N 3 2 327.516 3.331 20 0 EGADLP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512975 1325185601 /nfs/dbraw/zinc/18/56/01/1325185601.db2.gz GOLJJFGJUXWVSN-QZTJIDSGSA-N 2 2 333.907 3.164 20 0 EGADLP [NH3+]CCC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000925580070 1325219252 /nfs/dbraw/zinc/21/92/52/1325219252.db2.gz JBYNINXMVJNIKV-KRWDZBQOSA-N 2 2 339.418 3.181 20 0 EGADLP [NH3+]CCC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000925580070 1325219260 /nfs/dbraw/zinc/21/92/60/1325219260.db2.gz JBYNINXMVJNIKV-KRWDZBQOSA-N 2 2 339.418 3.181 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631698 1325239979 /nfs/dbraw/zinc/23/99/79/1325239979.db2.gz WPLRNXPEPGPXTD-BAGBSZHRSA-N 2 2 339.886 3.202 20 0 EGADLP Cn1c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc2cccc(Cl)c21 ZINC000925641878 1325243946 /nfs/dbraw/zinc/24/39/46/1325243946.db2.gz CSSCBLVXVNZHHZ-ZBFHGGJFSA-N 2 2 346.906 3.485 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442400 1325249631 /nfs/dbraw/zinc/24/96/31/1325249631.db2.gz QLVWILYOPWLFJU-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442400 1325249637 /nfs/dbraw/zinc/24/96/37/1325249637.db2.gz QLVWILYOPWLFJU-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)on1 ZINC000925718103 1325268632 /nfs/dbraw/zinc/26/86/32/1325268632.db2.gz WNPLHATXXVXCQD-AYOQOUSVSA-N 2 2 341.455 3.216 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCCC2 ZINC000925765514 1325290430 /nfs/dbraw/zinc/29/04/30/1325290430.db2.gz DUZLVWUEQHIECG-APWZRJJASA-N 2 2 330.472 3.346 20 0 EGADLP Cc1cc([C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)ccc1F ZINC000925796312 1325305562 /nfs/dbraw/zinc/30/55/62/1325305562.db2.gz LTDDRQAQTQQVPG-PKOBYXMFSA-N 2 2 332.463 3.334 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925798988 1325305638 /nfs/dbraw/zinc/30/56/38/1325305638.db2.gz XOIGCICCYWXPJO-FUHWJXTLSA-N 2 2 332.488 3.285 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926349870 1325522839 /nfs/dbraw/zinc/52/28/39/1325522839.db2.gz BMPRXZZXNCLAQK-KXBFYZLASA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926349870 1325522842 /nfs/dbraw/zinc/52/28/42/1325522842.db2.gz BMPRXZZXNCLAQK-KXBFYZLASA-N 2 2 329.444 3.246 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435648 1327674851 /nfs/dbraw/zinc/67/48/51/1327674851.db2.gz HVTOBTPDQQRTCW-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435648 1327674860 /nfs/dbraw/zinc/67/48/60/1327674860.db2.gz HVTOBTPDQQRTCW-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435648 1327674863 /nfs/dbraw/zinc/67/48/63/1327674863.db2.gz HVTOBTPDQQRTCW-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435648 1327674869 /nfs/dbraw/zinc/67/48/69/1327674869.db2.gz HVTOBTPDQQRTCW-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001027515247 1327786231 /nfs/dbraw/zinc/78/62/31/1327786231.db2.gz XZKKGWIAXGZNPB-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001027515247 1327786238 /nfs/dbraw/zinc/78/62/38/1327786238.db2.gz XZKKGWIAXGZNPB-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594262 1327939761 /nfs/dbraw/zinc/93/97/61/1327939761.db2.gz GQBJZYIKENUHPG-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594262 1327939768 /nfs/dbraw/zinc/93/97/68/1327939768.db2.gz GQBJZYIKENUHPG-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598504 1327950080 /nfs/dbraw/zinc/95/00/80/1327950080.db2.gz RLCHTISMBXBTBS-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598504 1327950083 /nfs/dbraw/zinc/95/00/83/1327950083.db2.gz RLCHTISMBXBTBS-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027969078 1328441173 /nfs/dbraw/zinc/44/11/73/1328441173.db2.gz ASJHEARQTIMXBD-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027969078 1328441177 /nfs/dbraw/zinc/44/11/77/1328441177.db2.gz ASJHEARQTIMXBD-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908385 1328468638 /nfs/dbraw/zinc/46/86/38/1328468638.db2.gz PFCSJLBHHMCREQ-YJBOKZPZSA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908385 1328468641 /nfs/dbraw/zinc/46/86/41/1328468641.db2.gz PFCSJLBHHMCREQ-YJBOKZPZSA-N 2 2 348.535 3.189 20 0 EGADLP COc1ccc([C@@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1F ZINC000862541869 1329494996 /nfs/dbraw/zinc/49/49/96/1329494996.db2.gz YEVROLNKMWTPSM-CQSZACIVSA-N 2 2 349.475 3.342 20 0 EGADLP COc1ccc([C@@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1F ZINC000862541869 1329494997 /nfs/dbraw/zinc/49/49/97/1329494997.db2.gz YEVROLNKMWTPSM-CQSZACIVSA-N 2 2 349.475 3.342 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000865424033 1329695458 /nfs/dbraw/zinc/69/54/58/1329695458.db2.gz SKXPPBXUSLODMB-QGZVFWFLSA-N 2 2 331.504 3.128 20 0 EGADLP Cn1cc(C[NH2+]CCCCn2cc[nH+]c2)c(-c2cc(F)ccc2F)n1 ZINC000865424844 1329695547 /nfs/dbraw/zinc/69/55/47/1329695547.db2.gz CWPSZCIGAAJELO-UHFFFAOYSA-N 2 2 345.397 3.132 20 0 EGADLP Brc1ncccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000865636039 1329723502 /nfs/dbraw/zinc/72/35/02/1329723502.db2.gz SDYADBAKIJXNGK-CQSZACIVSA-N 2 2 338.293 3.056 20 0 EGADLP Brc1ncccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000865636039 1329723503 /nfs/dbraw/zinc/72/35/03/1329723503.db2.gz SDYADBAKIJXNGK-CQSZACIVSA-N 2 2 338.293 3.056 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248959 1329799986 /nfs/dbraw/zinc/79/99/86/1329799986.db2.gz AFSQBRIYFWWOSG-OAHLLOKOSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248959 1329799987 /nfs/dbraw/zinc/79/99/87/1329799987.db2.gz AFSQBRIYFWWOSG-OAHLLOKOSA-N 2 2 335.249 3.186 20 0 EGADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933814457 1329925530 /nfs/dbraw/zinc/92/55/30/1329925530.db2.gz MQNYRXRXVARVGC-QGZVFWFLSA-N 2 2 348.450 3.157 20 0 EGADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933814457 1329925531 /nfs/dbraw/zinc/92/55/31/1329925531.db2.gz MQNYRXRXVARVGC-QGZVFWFLSA-N 2 2 348.450 3.157 20 0 EGADLP C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000933821254 1329926282 /nfs/dbraw/zinc/92/62/82/1329926282.db2.gz LWQJMOYTNSWSOL-INIZCTEOSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000933821254 1329926284 /nfs/dbraw/zinc/92/62/84/1329926284.db2.gz LWQJMOYTNSWSOL-INIZCTEOSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181653 1329952988 /nfs/dbraw/zinc/95/29/88/1329952988.db2.gz HIFQYEVNHWCUMG-QAPCUYQASA-N 2 2 348.450 3.203 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181653 1329952989 /nfs/dbraw/zinc/95/29/89/1329952989.db2.gz HIFQYEVNHWCUMG-QAPCUYQASA-N 2 2 348.450 3.203 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000934278816 1329961331 /nfs/dbraw/zinc/96/13/31/1329961331.db2.gz SCFQMCFASMXEBB-QAPCUYQASA-N 2 2 348.450 3.346 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000934278816 1329961332 /nfs/dbraw/zinc/96/13/32/1329961332.db2.gz SCFQMCFASMXEBB-QAPCUYQASA-N 2 2 348.450 3.346 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000935045360 1330025217 /nfs/dbraw/zinc/02/52/17/1330025217.db2.gz IIRQDYMMZBTFJG-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]4[NH2+]CC[C@@H]43)CCC2)c1 ZINC000866723932 1330144472 /nfs/dbraw/zinc/14/44/72/1330144472.db2.gz HQMGABAIIRMXIB-UXHICEINSA-N 2 2 344.499 3.208 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CCC[C@H]4[NH2+]CC[C@@H]43)CCC2)c1 ZINC000866723932 1330144473 /nfs/dbraw/zinc/14/44/73/1330144473.db2.gz HQMGABAIIRMXIB-UXHICEINSA-N 2 2 344.499 3.208 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H]4[NH2+]CC[C@@H]43)CCC2)c1 ZINC000866723930 1330144650 /nfs/dbraw/zinc/14/46/50/1330144650.db2.gz HQMGABAIIRMXIB-PMACEKPBSA-N 2 2 344.499 3.208 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H]4[NH2+]CC[C@@H]43)CCC2)c1 ZINC000866723930 1330144652 /nfs/dbraw/zinc/14/46/52/1330144652.db2.gz HQMGABAIIRMXIB-PMACEKPBSA-N 2 2 344.499 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CC(C)C)CC3(C)C)ccn12 ZINC000940745147 1331176870 /nfs/dbraw/zinc/17/68/70/1331176870.db2.gz NXMYQIFGUFNFRZ-KRWDZBQOSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CC(C)C)CC3(C)C)ccn12 ZINC000940745147 1331176872 /nfs/dbraw/zinc/17/68/72/1331176872.db2.gz NXMYQIFGUFNFRZ-KRWDZBQOSA-N 2 2 342.487 3.129 20 0 EGADLP CC1(C)C[N@H+](CC2CCCCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129163 1331345387 /nfs/dbraw/zinc/34/53/87/1331345387.db2.gz DOFKJLOLNXHLKP-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CC2CCCCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129163 1331345390 /nfs/dbraw/zinc/34/53/90/1331345390.db2.gz DOFKJLOLNXHLKP-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183491 1331865990 /nfs/dbraw/zinc/86/59/90/1331865990.db2.gz HYOMPKQZOIURSQ-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183491 1331865993 /nfs/dbraw/zinc/86/59/93/1331865993.db2.gz HYOMPKQZOIURSQ-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485308 1331943830 /nfs/dbraw/zinc/94/38/30/1331943830.db2.gz GZUCMUAOHHELKM-HOTGVXAUSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485308 1331943832 /nfs/dbraw/zinc/94/38/32/1331943832.db2.gz GZUCMUAOHHELKM-HOTGVXAUSA-N 2 2 342.487 3.211 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCC4CC4)[C@H](C)C3)ccn12 ZINC000947313829 1333085232 /nfs/dbraw/zinc/08/52/32/1333085232.db2.gz CVFKBZRWKDAMEN-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCC4CC4)[C@H](C)C3)ccn12 ZINC000947313829 1333085237 /nfs/dbraw/zinc/08/52/37/1333085237.db2.gz CVFKBZRWKDAMEN-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947758881 1333253623 /nfs/dbraw/zinc/25/36/23/1333253623.db2.gz UOJPBLCYHBCGCO-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCC1CCCCCC1 ZINC000947758881 1333253625 /nfs/dbraw/zinc/25/36/25/1333253625.db2.gz UOJPBLCYHBCGCO-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474219 1333540115 /nfs/dbraw/zinc/54/01/15/1333540115.db2.gz RGKWXPAKBAMTOB-SJLPKXTDSA-N 2 2 348.535 3.286 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474219 1333540118 /nfs/dbraw/zinc/54/01/18/1333540118.db2.gz RGKWXPAKBAMTOB-SJLPKXTDSA-N 2 2 348.535 3.286 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553627 1333572542 /nfs/dbraw/zinc/57/25/42/1333572542.db2.gz JGICSUHPOSDNBZ-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553627 1333572547 /nfs/dbraw/zinc/57/25/47/1333572547.db2.gz JGICSUHPOSDNBZ-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP C[C@@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616319 1333598349 /nfs/dbraw/zinc/59/83/49/1333598349.db2.gz HPYHPTGERKAYCI-HZPDHXFCSA-N 2 2 346.450 3.009 20 0 EGADLP C[C@@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616319 1333598351 /nfs/dbraw/zinc/59/83/51/1333598351.db2.gz HPYHPTGERKAYCI-HZPDHXFCSA-N 2 2 346.450 3.009 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948655994 1333614981 /nfs/dbraw/zinc/61/49/81/1333614981.db2.gz QWKSZRQBNXGGPP-GOSISDBHSA-N 2 2 340.471 3.209 20 0 EGADLP CCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948655994 1333614984 /nfs/dbraw/zinc/61/49/84/1333614984.db2.gz QWKSZRQBNXGGPP-GOSISDBHSA-N 2 2 340.471 3.209 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812748 1333693298 /nfs/dbraw/zinc/69/32/98/1333693298.db2.gz NBDJRSQFRUNHAU-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812748 1333693302 /nfs/dbraw/zinc/69/33/02/1333693302.db2.gz NBDJRSQFRUNHAU-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948812929 1333693380 /nfs/dbraw/zinc/69/33/80/1333693380.db2.gz OSWUTLMDWCVLOZ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948812929 1333693382 /nfs/dbraw/zinc/69/33/82/1333693382.db2.gz OSWUTLMDWCVLOZ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933529 1333739866 /nfs/dbraw/zinc/73/98/66/1333739866.db2.gz ZQFIYZVEOOXBKO-FQEVSTJZSA-N 2 2 348.450 3.302 20 0 EGADLP CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933529 1333739868 /nfs/dbraw/zinc/73/98/68/1333739868.db2.gz ZQFIYZVEOOXBKO-FQEVSTJZSA-N 2 2 348.450 3.302 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000950635676 1334100085 /nfs/dbraw/zinc/10/00/85/1334100085.db2.gz SWBXGADNEJXLKL-XLIONFOSSA-N 2 2 343.515 3.073 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000950635676 1334100088 /nfs/dbraw/zinc/10/00/88/1334100088.db2.gz SWBXGADNEJXLKL-XLIONFOSSA-N 2 2 343.515 3.073 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920151 1336088675 /nfs/dbraw/zinc/08/86/75/1336088675.db2.gz PJHRBYXEEGDLCS-HZPDHXFCSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@@H](F)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920151 1336088680 /nfs/dbraw/zinc/08/86/80/1336088680.db2.gz PJHRBYXEEGDLCS-HZPDHXFCSA-N 2 2 346.450 3.285 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC[NH+](CC3CCCC3)CC2)c[nH+]1 ZINC001005582032 1336375497 /nfs/dbraw/zinc/37/54/97/1336375497.db2.gz QBDSHLYZXBISGL-UHFFFAOYSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001006191686 1336464750 /nfs/dbraw/zinc/46/47/50/1336464750.db2.gz GNKKEIHUZFTXJF-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006341173 1336491890 /nfs/dbraw/zinc/49/18/90/1336491890.db2.gz UOHOUPWLJFVKBD-UHFFFAOYSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001006475371 1336513929 /nfs/dbraw/zinc/51/39/29/1336513929.db2.gz NPUJTMPOMWDDAV-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206617046 1371110074 /nfs/dbraw/zinc/11/00/74/1371110074.db2.gz YVBHDIOIQNYKBK-ZDUSSCGKSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206617046 1371110079 /nfs/dbraw/zinc/11/00/79/1371110079.db2.gz YVBHDIOIQNYKBK-ZDUSSCGKSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC23CC[NH+](CC[C@@H](C)F)CC3)c(C)[nH+]1 ZINC001016742570 1338709525 /nfs/dbraw/zinc/70/95/25/1338709525.db2.gz LUGZLAFKVGTXJG-PBHICJAKSA-N 2 2 347.478 3.339 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[N@H+](C)CC3CC3)CC2)c(C)[nH+]1 ZINC001029979064 1341142606 /nfs/dbraw/zinc/14/26/06/1341142606.db2.gz BACFDXKFNRBRIB-UHFFFAOYSA-N 2 2 329.488 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[N@@H+](C)CC3CC3)CC2)c(C)[nH+]1 ZINC001029979064 1341142607 /nfs/dbraw/zinc/14/26/07/1341142607.db2.gz BACFDXKFNRBRIB-UHFFFAOYSA-N 2 2 329.488 3.201 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001030400740 1341184544 /nfs/dbraw/zinc/18/45/44/1341184544.db2.gz DNUKTEPHMBBSGC-PXNSSMCTSA-N 2 2 343.515 3.039 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001030400740 1341184545 /nfs/dbraw/zinc/18/45/45/1341184545.db2.gz DNUKTEPHMBBSGC-PXNSSMCTSA-N 2 2 343.515 3.039 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031844407 1341410872 /nfs/dbraw/zinc/41/08/72/1341410872.db2.gz NOSIXHZXXJLVRU-GOSISDBHSA-N 2 2 348.450 3.147 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269483 1342360231 /nfs/dbraw/zinc/36/02/31/1342360231.db2.gz FIEJSZNYCLPMES-MRXNPFEDSA-N 2 2 326.444 3.113 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269483 1342360233 /nfs/dbraw/zinc/36/02/33/1342360233.db2.gz FIEJSZNYCLPMES-MRXNPFEDSA-N 2 2 326.444 3.113 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328571 1342402817 /nfs/dbraw/zinc/40/28/17/1342402817.db2.gz XMUMXUOSSXHQGT-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328571 1342402822 /nfs/dbraw/zinc/40/28/22/1342402822.db2.gz XMUMXUOSSXHQGT-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001036416677 1343474356 /nfs/dbraw/zinc/47/43/56/1343474356.db2.gz PXBKSMKWXILTJG-ZBFHGGJFSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001036434066 1343485248 /nfs/dbraw/zinc/48/52/48/1343485248.db2.gz RURZMXIKSAJWET-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388947 1345040521 /nfs/dbraw/zinc/04/05/21/1345040521.db2.gz SAEAGPWSLNQPMT-YYIAUSFCSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388947 1345040525 /nfs/dbraw/zinc/04/05/25/1345040525.db2.gz SAEAGPWSLNQPMT-YYIAUSFCSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388947 1345040528 /nfs/dbraw/zinc/04/05/28/1345040528.db2.gz SAEAGPWSLNQPMT-YYIAUSFCSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388947 1345040531 /nfs/dbraw/zinc/04/05/31/1345040531.db2.gz SAEAGPWSLNQPMT-YYIAUSFCSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394553 1345043246 /nfs/dbraw/zinc/04/32/46/1345043246.db2.gz WUCDJFMATARKOI-SJORKVTESA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394553 1345043247 /nfs/dbraw/zinc/04/32/47/1345043247.db2.gz WUCDJFMATARKOI-SJORKVTESA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868445 1345590275 /nfs/dbraw/zinc/59/02/75/1345590275.db2.gz RSZXOYSFZYGBQB-GOSISDBHSA-N 2 2 344.503 3.115 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001040915210 1345599116 /nfs/dbraw/zinc/59/91/16/1345599116.db2.gz WUESFCDUVZKXPJ-MRXNPFEDSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001040915005 1345599156 /nfs/dbraw/zinc/59/91/56/1345599156.db2.gz STTQOHVATXZNFF-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001043198655 1346152373 /nfs/dbraw/zinc/15/23/73/1346152373.db2.gz XKZJRQPVRYMPDU-FXAWDEMLSA-N 2 2 343.515 3.011 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001043198655 1346152374 /nfs/dbraw/zinc/15/23/74/1346152374.db2.gz XKZJRQPVRYMPDU-FXAWDEMLSA-N 2 2 343.515 3.011 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044693015 1346405062 /nfs/dbraw/zinc/40/50/62/1346405062.db2.gz KEDWLJITLTUXMD-PKOBYXMFSA-N 2 2 344.503 3.133 20 0 EGADLP CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH+](CC2CCCC2)CC1 ZINC001045476431 1346603162 /nfs/dbraw/zinc/60/31/62/1346603162.db2.gz OQVGFEVTKFQMQM-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934665 1346772385 /nfs/dbraw/zinc/77/23/85/1346772385.db2.gz AIBNMABGJNOWOY-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934665 1346772387 /nfs/dbraw/zinc/77/23/87/1346772387.db2.gz AIBNMABGJNOWOY-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973432 1346809301 /nfs/dbraw/zinc/80/93/01/1346809301.db2.gz PVXXQNVWBXLCJY-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973432 1346809306 /nfs/dbraw/zinc/80/93/06/1346809306.db2.gz PVXXQNVWBXLCJY-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973432 1346809309 /nfs/dbraw/zinc/80/93/09/1346809309.db2.gz PVXXQNVWBXLCJY-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973432 1346809313 /nfs/dbraw/zinc/80/93/13/1346809313.db2.gz PVXXQNVWBXLCJY-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973433 1346809362 /nfs/dbraw/zinc/80/93/62/1346809362.db2.gz PVXXQNVWBXLCJY-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973433 1346809365 /nfs/dbraw/zinc/80/93/65/1346809365.db2.gz PVXXQNVWBXLCJY-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973433 1346809368 /nfs/dbraw/zinc/80/93/68/1346809368.db2.gz PVXXQNVWBXLCJY-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973433 1346809370 /nfs/dbraw/zinc/80/93/70/1346809370.db2.gz PVXXQNVWBXLCJY-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@H]3C)ccn12 ZINC001079698033 1357350595 /nfs/dbraw/zinc/35/05/95/1357350595.db2.gz HJWIGKRKVPPIPN-RHSMWYFYSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCC(C)(C)C)C[C@H]3C)ccn12 ZINC001079698033 1357350600 /nfs/dbraw/zinc/35/06/00/1357350600.db2.gz HJWIGKRKVPPIPN-RHSMWYFYSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525285 1347892024 /nfs/dbraw/zinc/89/20/24/1347892024.db2.gz DEPITLRNVJCDQI-JOCBIADPSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525285 1347892027 /nfs/dbraw/zinc/89/20/27/1347892027.db2.gz DEPITLRNVJCDQI-JOCBIADPSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525285 1347892030 /nfs/dbraw/zinc/89/20/30/1347892030.db2.gz DEPITLRNVJCDQI-JOCBIADPSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525285 1347892032 /nfs/dbraw/zinc/89/20/32/1347892032.db2.gz DEPITLRNVJCDQI-JOCBIADPSA-N 2 2 344.503 3.015 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780837 1348018799 /nfs/dbraw/zinc/01/87/99/1348018799.db2.gz JKQPMMVONCOXCC-KBAYOESNSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780837 1348018800 /nfs/dbraw/zinc/01/88/00/1348018800.db2.gz JKQPMMVONCOXCC-KBAYOESNSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780837 1348018802 /nfs/dbraw/zinc/01/88/02/1348018802.db2.gz JKQPMMVONCOXCC-KBAYOESNSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780837 1348018804 /nfs/dbraw/zinc/01/88/04/1348018804.db2.gz JKQPMMVONCOXCC-KBAYOESNSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052377883 1348535687 /nfs/dbraw/zinc/53/56/87/1348535687.db2.gz COSQOIAITZIHTC-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052377883 1348535690 /nfs/dbraw/zinc/53/56/90/1348535690.db2.gz COSQOIAITZIHTC-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@H+](CCC4CC4)CC3)ccn12 ZINC001052379980 1348536222 /nfs/dbraw/zinc/53/62/22/1348536222.db2.gz SWDVTRDAXCSECG-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@@H+](CCC4CC4)CC3)ccn12 ZINC001052379980 1348536224 /nfs/dbraw/zinc/53/62/24/1348536224.db2.gz SWDVTRDAXCSECG-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052464062 1348547770 /nfs/dbraw/zinc/54/77/70/1348547770.db2.gz YEANMKIVPVLHEA-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052464062 1348547773 /nfs/dbraw/zinc/54/77/73/1348547773.db2.gz YEANMKIVPVLHEA-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052464062 1348547776 /nfs/dbraw/zinc/54/77/76/1348547776.db2.gz YEANMKIVPVLHEA-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052464062 1348547778 /nfs/dbraw/zinc/54/77/78/1348547778.db2.gz YEANMKIVPVLHEA-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052487866 1348554693 /nfs/dbraw/zinc/55/46/93/1348554693.db2.gz DTFVILSCWKCOAW-GOSISDBHSA-N 2 2 348.535 3.334 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052487866 1348554695 /nfs/dbraw/zinc/55/46/95/1348554695.db2.gz DTFVILSCWKCOAW-GOSISDBHSA-N 2 2 348.535 3.334 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001052555374 1348577480 /nfs/dbraw/zinc/57/74/80/1348577480.db2.gz QNGPVKMJUIKYJQ-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001052555374 1348577481 /nfs/dbraw/zinc/57/74/81/1348577481.db2.gz QNGPVKMJUIKYJQ-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032018 1348831937 /nfs/dbraw/zinc/83/19/37/1348831937.db2.gz MSVJWBXLBXBHCI-JKSUJKDBSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032018 1348831942 /nfs/dbraw/zinc/83/19/42/1348831942.db2.gz MSVJWBXLBXBHCI-JKSUJKDBSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053051939 1348856121 /nfs/dbraw/zinc/85/61/21/1348856121.db2.gz RIKUUSQAOGXPTI-IAGOWNOFSA-N 2 2 346.519 3.048 20 0 EGADLP CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053051939 1348856125 /nfs/dbraw/zinc/85/61/25/1348856125.db2.gz RIKUUSQAOGXPTI-IAGOWNOFSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001074078315 1356071263 /nfs/dbraw/zinc/07/12/63/1356071263.db2.gz RREFSZHNWIHDCC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001074078315 1356071265 /nfs/dbraw/zinc/07/12/65/1356071265.db2.gz RREFSZHNWIHDCC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001074078315 1356071268 /nfs/dbraw/zinc/07/12/68/1356071268.db2.gz RREFSZHNWIHDCC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001074078315 1356071270 /nfs/dbraw/zinc/07/12/70/1356071270.db2.gz RREFSZHNWIHDCC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP CC1(C)CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001085438696 1358500505 /nfs/dbraw/zinc/50/05/05/1358500505.db2.gz AZVHSTMYOWIILZ-QZTJIDSGSA-N 2 2 346.519 3.117 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672748 1358677064 /nfs/dbraw/zinc/67/70/64/1358677064.db2.gz GFVUVMCFTFUJAI-HNNXBMFYSA-N 2 2 328.460 3.145 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672748 1358677070 /nfs/dbraw/zinc/67/70/70/1358677070.db2.gz GFVUVMCFTFUJAI-HNNXBMFYSA-N 2 2 328.460 3.145 20 0 EGADLP CC1(C)CC(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001086121193 1359002694 /nfs/dbraw/zinc/00/26/94/1359002694.db2.gz HBCSTESPJLRYOG-AKAXFMLLSA-N 2 2 340.471 3.097 20 0 EGADLP O=C(NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086401022 1359087927 /nfs/dbraw/zinc/08/79/27/1359087927.db2.gz IEWNONQDQPKLBY-JCNLHEQBSA-N 2 2 338.455 3.161 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCC1=CCCCC1 ZINC001087810663 1359659410 /nfs/dbraw/zinc/65/94/10/1359659410.db2.gz GCNIFTGEJPAGNZ-PKOBYXMFSA-N 2 2 344.503 3.120 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCC1=CCCCC1 ZINC001087810663 1359659414 /nfs/dbraw/zinc/65/94/14/1359659414.db2.gz GCNIFTGEJPAGNZ-PKOBYXMFSA-N 2 2 344.503 3.120 20 0 EGADLP CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184653960 1387504229 /nfs/dbraw/zinc/50/42/29/1387504229.db2.gz USSXMWOBRHBWQW-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048828 1363593250 /nfs/dbraw/zinc/59/32/50/1363593250.db2.gz KPPXHPKHILEEQL-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048828 1363593254 /nfs/dbraw/zinc/59/32/54/1363593254.db2.gz KPPXHPKHILEEQL-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250995 1363713925 /nfs/dbraw/zinc/71/39/25/1363713925.db2.gz FDLLMSFUFRKURT-ROUUACIJSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250995 1363713928 /nfs/dbraw/zinc/71/39/28/1363713928.db2.gz FDLLMSFUFRKURT-ROUUACIJSA-N 2 2 346.519 3.407 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)[N@H+](CCC2CCCC2)C1 ZINC001099358490 1363771581 /nfs/dbraw/zinc/77/15/81/1363771581.db2.gz HUDQPSSXOYSXHQ-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CCC2CCCC2)C1 ZINC001099358490 1363771585 /nfs/dbraw/zinc/77/15/85/1363771585.db2.gz HUDQPSSXOYSXHQ-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2CC([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001100522470 1364146199 /nfs/dbraw/zinc/14/61/99/1364146199.db2.gz OXFKPIOXNVPDAD-UHFFFAOYSA-N 2 2 343.393 3.057 20 0 EGADLP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522542 1364146323 /nfs/dbraw/zinc/14/63/23/1364146323.db2.gz SOWFVBLLEXIRJZ-VOTSOKGWSA-N 2 2 329.488 3.461 20 0 EGADLP C[C@H](CC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001100716676 1364233170 /nfs/dbraw/zinc/23/31/70/1364233170.db2.gz LTJCDNXHKRSQEP-KLAILNCOSA-N 2 2 334.508 3.145 20 0 EGADLP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101591920 1364643053 /nfs/dbraw/zinc/64/30/53/1364643053.db2.gz CGLRSTUXHVMAFS-HNNXBMFYSA-N 2 2 348.535 3.161 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414559 1365045749 /nfs/dbraw/zinc/04/57/49/1365045749.db2.gz IWYIXRZWKYXRSL-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414559 1365045752 /nfs/dbraw/zinc/04/57/52/1365045752.db2.gz IWYIXRZWKYXRSL-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCC(C)(C)C ZINC001185490772 1387729965 /nfs/dbraw/zinc/72/99/65/1387729965.db2.gz CAYCPGUTHZZTAD-CVEARBPZSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103774497 1365778285 /nfs/dbraw/zinc/77/82/85/1365778285.db2.gz CVQWMGSWFUSMSO-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CCNC(=O)CCCn1cc[nH+]c1 ZINC001103774497 1365778289 /nfs/dbraw/zinc/77/82/89/1365778289.db2.gz CVQWMGSWFUSMSO-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001104345722 1365982301 /nfs/dbraw/zinc/98/23/01/1365982301.db2.gz QIHONRRETJTHQK-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185787360 1387799434 /nfs/dbraw/zinc/79/94/34/1387799434.db2.gz FVHFVKDGSCKTOL-OALUTQOASA-N 2 2 348.535 3.318 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105581025 1366543420 /nfs/dbraw/zinc/54/34/20/1366543420.db2.gz AGMAADVLXHIEKD-GOSISDBHSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588379 1367059462 /nfs/dbraw/zinc/05/94/62/1367059462.db2.gz IODXTVFDCWSRNF-OXQOHEQNSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588379 1367059466 /nfs/dbraw/zinc/05/94/66/1367059466.db2.gz IODXTVFDCWSRNF-OXQOHEQNSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1-n1cc[nH+]c1 ZINC001190112942 1367176792 /nfs/dbraw/zinc/17/67/92/1367176792.db2.gz GRGPYTVPIJJMPY-MRXNPFEDSA-N 2 2 338.455 3.009 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1-n1cc[nH+]c1 ZINC001190112942 1367176796 /nfs/dbraw/zinc/17/67/96/1367176796.db2.gz GRGPYTVPIJJMPY-MRXNPFEDSA-N 2 2 338.455 3.009 20 0 EGADLP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818577 1367359508 /nfs/dbraw/zinc/35/95/08/1367359508.db2.gz RJHJSWYUYJFORU-ZWKOTPCHSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818577 1367359515 /nfs/dbraw/zinc/35/95/15/1367359515.db2.gz RJHJSWYUYJFORU-ZWKOTPCHSA-N 2 2 334.508 3.049 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933543 1367384884 /nfs/dbraw/zinc/38/48/84/1367384884.db2.gz JNAZJLJVQANDHC-FUTAKVPZSA-N 2 2 340.471 3.456 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933543 1367384888 /nfs/dbraw/zinc/38/48/88/1367384888.db2.gz JNAZJLJVQANDHC-FUTAKVPZSA-N 2 2 340.471 3.456 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933549 1367385362 /nfs/dbraw/zinc/38/53/62/1367385362.db2.gz JNAZJLJVQANDHC-RTRPANQVSA-N 2 2 340.471 3.456 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933549 1367385369 /nfs/dbraw/zinc/38/53/69/1367385369.db2.gz JNAZJLJVQANDHC-RTRPANQVSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC001191390526 1367489889 /nfs/dbraw/zinc/48/98/89/1367489889.db2.gz LWCUKNRYDQJPJF-NRFANRHFSA-N 2 2 345.531 3.088 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC001191390526 1367489893 /nfs/dbraw/zinc/48/98/93/1367489893.db2.gz LWCUKNRYDQJPJF-NRFANRHFSA-N 2 2 345.531 3.088 20 0 EGADLP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001108687625 1367533165 /nfs/dbraw/zinc/53/31/65/1367533165.db2.gz GKSHMMGQYWWXOZ-SZMVWBNQSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108836797 1367628794 /nfs/dbraw/zinc/62/87/94/1367628794.db2.gz ZJXFMNBUSJNZEY-OTWHNJEPSA-N 2 2 346.519 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC001197523307 1368831720 /nfs/dbraw/zinc/83/17/20/1368831720.db2.gz HYCSRGILCGISTP-HXUWFJFHSA-N 2 2 344.478 3.490 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001198006972 1368940761 /nfs/dbraw/zinc/94/07/61/1368940761.db2.gz GOOAXRRMUGCROV-UHFFFAOYSA-N 2 2 325.456 3.322 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001198006972 1368940764 /nfs/dbraw/zinc/94/07/64/1368940764.db2.gz GOOAXRRMUGCROV-UHFFFAOYSA-N 2 2 325.456 3.322 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](CCCC(C)(C)C)CC3)ccn12 ZINC001112853836 1369048268 /nfs/dbraw/zinc/04/82/68/1369048268.db2.gz NLDMXYGDWVPVEH-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113016115 1369139238 /nfs/dbraw/zinc/13/92/38/1369139238.db2.gz USYLAQJMDKXXEF-HNNXBMFYSA-N 2 2 328.460 3.003 20 0 EGADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355730 1369367106 /nfs/dbraw/zinc/36/71/06/1369367106.db2.gz LDMJEVUJNSNDGA-MRXNPFEDSA-N 2 2 349.494 3.009 20 0 EGADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355730 1369367109 /nfs/dbraw/zinc/36/71/09/1369367109.db2.gz LDMJEVUJNSNDGA-MRXNPFEDSA-N 2 2 349.494 3.009 20 0 EGADLP CCC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001201652513 1369596754 /nfs/dbraw/zinc/59/67/54/1369596754.db2.gz ORQBHLDIMQBBDP-UHFFFAOYSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001201652513 1369596760 /nfs/dbraw/zinc/59/67/60/1369596760.db2.gz ORQBHLDIMQBBDP-UHFFFAOYSA-N 2 2 339.524 3.192 20 0 EGADLP C[C@H](CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001202693971 1369853784 /nfs/dbraw/zinc/85/37/84/1369853784.db2.gz GJGDCNQAMJDOEJ-MRXNPFEDSA-N 2 2 334.508 3.241 20 0 EGADLP COc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)c1OC ZINC001203472401 1370138304 /nfs/dbraw/zinc/13/83/04/1370138304.db2.gz SYEYIPFQMNDROY-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(OC)c1OC ZINC001203472401 1370138305 /nfs/dbraw/zinc/13/83/05/1370138305.db2.gz SYEYIPFQMNDROY-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001203537488 1370159815 /nfs/dbraw/zinc/15/98/15/1370159815.db2.gz VXAWOLGPVRENLW-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP c1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204045058 1370357882 /nfs/dbraw/zinc/35/78/82/1370357882.db2.gz PCSWFTQFCPAPOJ-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204045058 1370357884 /nfs/dbraw/zinc/35/78/84/1370357884.db2.gz PCSWFTQFCPAPOJ-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001204045058 1370357889 /nfs/dbraw/zinc/35/78/89/1370357889.db2.gz PCSWFTQFCPAPOJ-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001204045058 1370357892 /nfs/dbraw/zinc/35/78/92/1370357892.db2.gz PCSWFTQFCPAPOJ-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)ccc1O ZINC001204112674 1370380874 /nfs/dbraw/zinc/38/08/74/1370380874.db2.gz PPXFEKKOOFXZKV-UHFFFAOYSA-N 2 2 330.472 3.241 20 0 EGADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)ccc1O ZINC001204112674 1370380877 /nfs/dbraw/zinc/38/08/77/1370380877.db2.gz PPXFEKKOOFXZKV-UHFFFAOYSA-N 2 2 330.472 3.241 20 0 EGADLP CCOc1cc[nH+]cc1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204332958 1370446146 /nfs/dbraw/zinc/44/61/46/1370446146.db2.gz KALNTVJBLZSEAQ-UHFFFAOYSA-N 2 2 327.428 3.099 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cn(C(C)=O)c4ccccc34)C[C@H]2C1 ZINC001204412467 1370470375 /nfs/dbraw/zinc/47/03/75/1370470375.db2.gz NATBROLKXRKPCG-IAGOWNOFSA-N 2 2 325.456 3.075 20 0 EGADLP COCC[N@H+](Cc1ccc2cc(OC)ccc2c1)C1CC[NH+](C)CC1 ZINC001204514221 1370500164 /nfs/dbraw/zinc/50/01/64/1370500164.db2.gz CYCGNZKWESWUGN-UHFFFAOYSA-N 2 2 342.483 3.391 20 0 EGADLP COCC[N@@H+](Cc1ccc2cc(OC)ccc2c1)C1CC[NH+](C)CC1 ZINC001204514221 1370500169 /nfs/dbraw/zinc/50/01/69/1370500169.db2.gz CYCGNZKWESWUGN-UHFFFAOYSA-N 2 2 342.483 3.391 20 0 EGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001204877454 1370594472 /nfs/dbraw/zinc/59/44/72/1370594472.db2.gz JMLGQCXSVHSWFV-IINYFYTJSA-N 2 2 345.231 3.256 20 0 EGADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2ccc(Br)cc2C1 ZINC001204877454 1370594477 /nfs/dbraw/zinc/59/44/77/1370594477.db2.gz JMLGQCXSVHSWFV-IINYFYTJSA-N 2 2 345.231 3.256 20 0 EGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001204945909 1370612428 /nfs/dbraw/zinc/61/24/28/1370612428.db2.gz KFPKIEWGWLHHQV-MRXNPFEDSA-N 2 2 334.261 3.311 20 0 EGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001204945909 1370612433 /nfs/dbraw/zinc/61/24/33/1370612433.db2.gz KFPKIEWGWLHHQV-MRXNPFEDSA-N 2 2 334.261 3.311 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001205016288 1370628725 /nfs/dbraw/zinc/62/87/25/1370628725.db2.gz IEPZAPXWRAOGNU-LBPRGKRZSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001205016288 1370628729 /nfs/dbraw/zinc/62/87/29/1370628729.db2.gz IEPZAPXWRAOGNU-LBPRGKRZSA-N 2 2 336.277 3.362 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115656012 1370642386 /nfs/dbraw/zinc/64/23/86/1370642386.db2.gz XHJLLGNCNQLJOR-GOSISDBHSA-N 2 2 348.535 3.364 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266403 1370700238 /nfs/dbraw/zinc/70/02/38/1370700238.db2.gz UGEHORIVPLSTRF-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205266403 1370700242 /nfs/dbraw/zinc/70/02/42/1370700242.db2.gz UGEHORIVPLSTRF-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205280890 1370704640 /nfs/dbraw/zinc/70/46/40/1370704640.db2.gz LALQUOZNWLYWIK-OAHLLOKOSA-N 2 2 332.366 3.297 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205280890 1370704645 /nfs/dbraw/zinc/70/46/45/1370704645.db2.gz LALQUOZNWLYWIK-OAHLLOKOSA-N 2 2 332.366 3.297 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725192 1370705931 /nfs/dbraw/zinc/70/59/31/1370705931.db2.gz PKBUNKDZBUSDAD-OAHLLOKOSA-N 2 2 332.492 3.038 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205295915 1370709800 /nfs/dbraw/zinc/70/98/00/1370709800.db2.gz CKGIMLHCBCMUDA-INIZCTEOSA-N 2 2 341.293 3.469 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205295915 1370709805 /nfs/dbraw/zinc/70/98/05/1370709805.db2.gz CKGIMLHCBCMUDA-INIZCTEOSA-N 2 2 341.293 3.469 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nc3ccccc3cc2Br)C[C@@H]1C[NH3+] ZINC001205315446 1370718959 /nfs/dbraw/zinc/71/89/59/1370718959.db2.gz GURZODBBOCBMRB-OCCSQVGLSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3cc2Br)C[C@@H]1C[NH3+] ZINC001205315446 1370718961 /nfs/dbraw/zinc/71/89/61/1370718961.db2.gz GURZODBBOCBMRB-OCCSQVGLSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1)n1cc[nH+]c1 ZINC001115752666 1370734760 /nfs/dbraw/zinc/73/47/60/1370734760.db2.gz NOOBVQCKLYELDZ-KRWDZBQOSA-N 2 2 346.519 3.433 20 0 EGADLP Cn1c2ccccc2c(C[N@H+](C)C[C@H]2C[NH2+]CCO2)c1-c1ccccc1 ZINC001205376779 1370735581 /nfs/dbraw/zinc/73/55/81/1370735581.db2.gz NZAOHMHIYWLRHX-GOSISDBHSA-N 2 2 349.478 3.266 20 0 EGADLP Cn1c2ccccc2c(C[N@@H+](C)C[C@H]2C[NH2+]CCO2)c1-c1ccccc1 ZINC001205376779 1370735582 /nfs/dbraw/zinc/73/55/82/1370735582.db2.gz NZAOHMHIYWLRHX-GOSISDBHSA-N 2 2 349.478 3.266 20 0 EGADLP C[N@@H+](Cc1ccccc1-c1ccc(Cl)cc1)C[C@H]1C[NH2+]CCO1 ZINC001205376746 1370736321 /nfs/dbraw/zinc/73/63/21/1370736321.db2.gz MZGVBNWWETUHGZ-GOSISDBHSA-N 2 2 330.859 3.427 20 0 EGADLP C[N@H+](Cc1ccccc1-c1ccc(Cl)cc1)C[C@H]1C[NH2+]CCO1 ZINC001205376746 1370736327 /nfs/dbraw/zinc/73/63/27/1370736327.db2.gz MZGVBNWWETUHGZ-GOSISDBHSA-N 2 2 330.859 3.427 20 0 EGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1F)C2 ZINC001205633841 1370819656 /nfs/dbraw/zinc/81/96/56/1370819656.db2.gz NIIAFMKHUPUZSC-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1F)C2 ZINC001205633841 1370819658 /nfs/dbraw/zinc/81/96/58/1370819658.db2.gz NIIAFMKHUPUZSC-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)ccc1F)C2 ZINC001205633841 1370819663 /nfs/dbraw/zinc/81/96/63/1370819663.db2.gz NIIAFMKHUPUZSC-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)ccc1F)C2 ZINC001205633841 1370819667 /nfs/dbraw/zinc/81/96/67/1370819667.db2.gz NIIAFMKHUPUZSC-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653277 1370828746 /nfs/dbraw/zinc/82/87/46/1370828746.db2.gz SKIFXXRGRAMDLT-GJZGRUSLSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653277 1370828751 /nfs/dbraw/zinc/82/87/51/1370828751.db2.gz SKIFXXRGRAMDLT-GJZGRUSLSA-N 3 2 332.879 3.333 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC001116064448 1370830757 /nfs/dbraw/zinc/83/07/57/1370830757.db2.gz AMAUMMDFGNGCKZ-OAHLLOKOSA-N 2 2 334.379 3.081 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001116089513 1370835363 /nfs/dbraw/zinc/83/53/63/1370835363.db2.gz ISDPPAIWXWYIHG-UHFFFAOYSA-N 2 2 329.448 3.026 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)Nc1c[nH+]ccc1-n1ccnc1C ZINC001116089513 1370835369 /nfs/dbraw/zinc/83/53/69/1370835369.db2.gz ISDPPAIWXWYIHG-UHFFFAOYSA-N 2 2 329.448 3.026 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnoc3)C[C@H]21 ZINC001205689913 1370843186 /nfs/dbraw/zinc/84/31/86/1370843186.db2.gz QBPXICYQIQLXNA-CGTJXYLNSA-N 2 2 331.485 3.469 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnoc3)C[C@H]21 ZINC001205689913 1370843189 /nfs/dbraw/zinc/84/31/89/1370843189.db2.gz QBPXICYQIQLXNA-CGTJXYLNSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnoc3)C[C@H]21 ZINC001205689913 1370843191 /nfs/dbraw/zinc/84/31/91/1370843191.db2.gz QBPXICYQIQLXNA-CGTJXYLNSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnoc3)C[C@H]21 ZINC001205689913 1370843193 /nfs/dbraw/zinc/84/31/93/1370843193.db2.gz QBPXICYQIQLXNA-CGTJXYLNSA-N 2 2 331.485 3.469 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]C/C=C\Cl)CC2)c(C)[nH+]1 ZINC001205729021 1370853788 /nfs/dbraw/zinc/85/37/88/1370853788.db2.gz VAHGCENYFSEPPB-DAXSKMNVSA-N 2 2 335.879 3.201 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001205741351 1370856263 /nfs/dbraw/zinc/85/62/63/1370856263.db2.gz AKBDAABPBLKCFX-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350580 1370891151 /nfs/dbraw/zinc/89/11/51/1370891151.db2.gz GGJTUFWPHJTEKF-ROUUACIJSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350580 1370891153 /nfs/dbraw/zinc/89/11/53/1370891153.db2.gz GGJTUFWPHJTEKF-ROUUACIJSA-N 2 2 329.419 3.139 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC001206013117 1370937926 /nfs/dbraw/zinc/93/79/26/1370937926.db2.gz CMSPIBJHVVAEEZ-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cn(C)nc2C(F)F)[nH+]1 ZINC001116654460 1370951626 /nfs/dbraw/zinc/95/16/26/1370951626.db2.gz CCKSCOZDUHKHGI-CQSZACIVSA-N 2 2 335.402 3.138 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cn(C)nc2C(F)F)[nH+]1 ZINC001116654460 1370951631 /nfs/dbraw/zinc/95/16/31/1370951631.db2.gz CCKSCOZDUHKHGI-CQSZACIVSA-N 2 2 335.402 3.138 20 0 EGADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001206150819 1370973185 /nfs/dbraw/zinc/97/31/85/1370973185.db2.gz CJFCLTARUUOGLX-GJZGRUSLSA-N 2 2 333.526 3.385 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)CC[C@@H]1F ZINC001206186013 1370985887 /nfs/dbraw/zinc/98/58/87/1370985887.db2.gz PSVGTJTXVPRMSB-KBPBESRZSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)CC[C@@H]1F ZINC001206186013 1370985890 /nfs/dbraw/zinc/98/58/90/1370985890.db2.gz PSVGTJTXVPRMSB-KBPBESRZSA-N 2 2 340.240 3.192 20 0 EGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206201847 1370991338 /nfs/dbraw/zinc/99/13/38/1370991338.db2.gz ZHYBVSPFKPFRPJ-LSDHHAIUSA-N 2 2 329.257 3.273 20 0 EGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206201847 1370991344 /nfs/dbraw/zinc/99/13/44/1370991344.db2.gz ZHYBVSPFKPFRPJ-LSDHHAIUSA-N 2 2 329.257 3.273 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)cc1Cl ZINC001206565394 1371095691 /nfs/dbraw/zinc/09/56/91/1371095691.db2.gz SOLGDYASOCJMID-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)cc1Cl ZINC001206565394 1371095697 /nfs/dbraw/zinc/09/56/97/1371095697.db2.gz SOLGDYASOCJMID-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP Cc1ncc(Br)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206584516 1371100368 /nfs/dbraw/zinc/10/03/68/1371100368.db2.gz ZRKMNELLYMGXJD-HNNXBMFYSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1ncc(Br)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206584516 1371100373 /nfs/dbraw/zinc/10/03/73/1371100373.db2.gz ZRKMNELLYMGXJD-HNNXBMFYSA-N 2 2 326.282 3.103 20 0 EGADLP [NH3+]C1(c2cccc(-c3ccc(C[NH+]4CCOCC4)cc3F)c2)CC1 ZINC001206734068 1371148767 /nfs/dbraw/zinc/14/87/67/1371148767.db2.gz PDVQXLBUEKPINC-UHFFFAOYSA-N 2 2 326.415 3.273 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)OCc2ccc(Cl)cc23)n1C ZINC001206795258 1371169095 /nfs/dbraw/zinc/16/90/95/1371169095.db2.gz WZRYYCRXPIEKNF-UHFFFAOYSA-N 2 2 331.847 3.403 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)cc1F ZINC001206806122 1371174548 /nfs/dbraw/zinc/17/45/48/1371174548.db2.gz FKFDNUPYNRHOML-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(Br)cc1F ZINC001206806122 1371174555 /nfs/dbraw/zinc/17/45/55/1371174555.db2.gz FKFDNUPYNRHOML-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(F)cn3)CC2)c2ccccc2[nH+]1 ZINC001207039116 1371274840 /nfs/dbraw/zinc/27/48/40/1371274840.db2.gz ZBRXUOISCSRJGO-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624298 1371456124 /nfs/dbraw/zinc/45/61/24/1371456124.db2.gz AWXXQLLYPZVJQQ-XMTFNYHQSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624298 1371456127 /nfs/dbraw/zinc/45/61/27/1371456127.db2.gz AWXXQLLYPZVJQQ-XMTFNYHQSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624298 1371456129 /nfs/dbraw/zinc/45/61/29/1371456129.db2.gz AWXXQLLYPZVJQQ-XMTFNYHQSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624298 1371456132 /nfs/dbraw/zinc/45/61/32/1371456132.db2.gz AWXXQLLYPZVJQQ-XMTFNYHQSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702914 1371478934 /nfs/dbraw/zinc/47/89/34/1371478934.db2.gz AJMXIIUCCUPNBL-RDTXWAMCSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702914 1371478935 /nfs/dbraw/zinc/47/89/35/1371478935.db2.gz AJMXIIUCCUPNBL-RDTXWAMCSA-N 2 2 328.460 3.049 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392035 1371559644 /nfs/dbraw/zinc/55/96/44/1371559644.db2.gz JLOUYFUVXQHYIP-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392035 1371559646 /nfs/dbraw/zinc/55/96/46/1371559646.db2.gz JLOUYFUVXQHYIP-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392035 1371559651 /nfs/dbraw/zinc/55/96/51/1371559651.db2.gz JLOUYFUVXQHYIP-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392035 1371559653 /nfs/dbraw/zinc/55/96/53/1371559653.db2.gz JLOUYFUVXQHYIP-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430798 1371574569 /nfs/dbraw/zinc/57/45/69/1371574569.db2.gz NTLNSQNNYJAHDD-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430798 1371574577 /nfs/dbraw/zinc/57/45/77/1371574577.db2.gz NTLNSQNNYJAHDD-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120469925 1371588415 /nfs/dbraw/zinc/58/84/15/1371588415.db2.gz NUVVJNRYAVLWIP-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120469925 1371588419 /nfs/dbraw/zinc/58/84/19/1371588419.db2.gz NUVVJNRYAVLWIP-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP Cc1ccc([C@@H](C)CC[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)o1 ZINC001208165350 1371614487 /nfs/dbraw/zinc/61/44/87/1371614487.db2.gz RDYMKYHDKWPERZ-KRWDZBQOSA-N 2 2 333.520 3.041 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387155 1371747033 /nfs/dbraw/zinc/74/70/33/1371747033.db2.gz OGCUIUXAZZJHOR-OALUTQOASA-N 2 2 348.535 3.487 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]CCCC(C)(C)C)C2)c[nH+]1 ZINC001208411659 1371758774 /nfs/dbraw/zinc/75/87/74/1371758774.db2.gz ZOKYVFKECVNIRR-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208551489 1371813917 /nfs/dbraw/zinc/81/39/17/1371813917.db2.gz LHMDPFSGDIQKJG-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208604789 1371838613 /nfs/dbraw/zinc/83/86/13/1371838613.db2.gz VNVFIGYJOAFLRV-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208604789 1371838615 /nfs/dbraw/zinc/83/86/15/1371838615.db2.gz VNVFIGYJOAFLRV-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604789 1371838619 /nfs/dbraw/zinc/83/86/19/1371838619.db2.gz VNVFIGYJOAFLRV-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604789 1371838622 /nfs/dbraw/zinc/83/86/22/1371838622.db2.gz VNVFIGYJOAFLRV-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC001208613197 1371839647 /nfs/dbraw/zinc/83/96/47/1371839647.db2.gz REIUUMUVJWDKIV-CQSZACIVSA-N 2 2 336.426 3.201 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC001208613197 1371839650 /nfs/dbraw/zinc/83/96/50/1371839650.db2.gz REIUUMUVJWDKIV-CQSZACIVSA-N 2 2 336.426 3.201 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212476 1371893180 /nfs/dbraw/zinc/89/31/80/1371893180.db2.gz LLHZLWKNPHQZOW-WIOLVWRCSA-N 2 2 346.519 3.042 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212476 1371893184 /nfs/dbraw/zinc/89/31/84/1371893184.db2.gz LLHZLWKNPHQZOW-WIOLVWRCSA-N 2 2 346.519 3.042 20 0 EGADLP CC(C)Oc1ncccc1CC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001208799920 1371900776 /nfs/dbraw/zinc/90/07/76/1371900776.db2.gz DYEREIGBQMNUPG-UHFFFAOYSA-N 2 2 349.494 3.310 20 0 EGADLP CCOC(=O)C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958073 1371961821 /nfs/dbraw/zinc/96/18/21/1371961821.db2.gz NQAJXMPWEGZUTI-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP CCOC(=O)C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958073 1371961826 /nfs/dbraw/zinc/96/18/26/1371961826.db2.gz NQAJXMPWEGZUTI-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP CCOC(=O)C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958073 1371961831 /nfs/dbraw/zinc/96/18/31/1371961831.db2.gz NQAJXMPWEGZUTI-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP CCOC(=O)C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958073 1371961843 /nfs/dbraw/zinc/96/18/43/1371961843.db2.gz NQAJXMPWEGZUTI-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP O=C(OCC[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001209045762 1371981716 /nfs/dbraw/zinc/98/17/16/1371981716.db2.gz RGHDQJPAJIIOCO-IBGZPJMESA-N 2 2 330.472 3.184 20 0 EGADLP O=C(OCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001209045762 1371981718 /nfs/dbraw/zinc/98/17/18/1371981718.db2.gz RGHDQJPAJIIOCO-IBGZPJMESA-N 2 2 330.472 3.184 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](CCOc4ccccc4)C[C@H]3C2)c1 ZINC001209296207 1372061787 /nfs/dbraw/zinc/06/17/87/1372061787.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 2 328.481 3.191 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](CCOc4ccccc4)C[C@H]3C2)c1 ZINC001209296207 1372061791 /nfs/dbraw/zinc/06/17/91/1372061791.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 2 328.481 3.191 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)c1 ZINC001209296207 1372061793 /nfs/dbraw/zinc/06/17/93/1372061793.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 2 328.481 3.191 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)c1 ZINC001209296207 1372061795 /nfs/dbraw/zinc/06/17/95/1372061795.db2.gz AFHIDWZTJJQRPH-CALCHBBNSA-N 2 2 328.481 3.191 20 0 EGADLP Cc1cccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001209482287 1372117243 /nfs/dbraw/zinc/11/72/43/1372117243.db2.gz HXAUKBMGVRJRFM-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001209482287 1372117248 /nfs/dbraw/zinc/11/72/48/1372117248.db2.gz HXAUKBMGVRJRFM-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001209482287 1372117249 /nfs/dbraw/zinc/11/72/49/1372117249.db2.gz HXAUKBMGVRJRFM-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001209482287 1372117253 /nfs/dbraw/zinc/11/72/53/1372117253.db2.gz HXAUKBMGVRJRFM-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(F)c1O ZINC001209532460 1372129174 /nfs/dbraw/zinc/12/91/74/1372129174.db2.gz HEZAQXURTOVAJK-MRXNPFEDSA-N 2 2 336.451 3.380 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(F)c1O ZINC001209532460 1372129177 /nfs/dbraw/zinc/12/91/77/1372129177.db2.gz HEZAQXURTOVAJK-MRXNPFEDSA-N 2 2 336.451 3.380 20 0 EGADLP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(F)c1O ZINC001209528776 1372129296 /nfs/dbraw/zinc/12/92/96/1372129296.db2.gz KEZWRXUHWYTBOZ-UHFFFAOYSA-N 2 2 341.386 3.358 20 0 EGADLP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc(F)c1O ZINC001209528776 1372129302 /nfs/dbraw/zinc/12/93/02/1372129302.db2.gz KEZWRXUHWYTBOZ-UHFFFAOYSA-N 2 2 341.386 3.358 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209692297 1372171343 /nfs/dbraw/zinc/17/13/43/1372171343.db2.gz JWSLAHTYEITNJM-SFHVURJKSA-N 2 2 345.462 3.382 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209692297 1372171344 /nfs/dbraw/zinc/17/13/44/1372171344.db2.gz JWSLAHTYEITNJM-SFHVURJKSA-N 2 2 345.462 3.382 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001209715584 1372177006 /nfs/dbraw/zinc/17/70/06/1372177006.db2.gz WLNMJXIIOLBPFY-KRWDZBQOSA-N 2 2 346.471 3.264 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001209715584 1372177008 /nfs/dbraw/zinc/17/70/08/1372177008.db2.gz WLNMJXIIOLBPFY-KRWDZBQOSA-N 2 2 346.471 3.264 20 0 EGADLP Clc1ccc2[nH]c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2c1 ZINC001209721108 1372177867 /nfs/dbraw/zinc/17/78/67/1372177867.db2.gz DEOOLEVXIGHIBO-UHFFFAOYSA-N 2 2 346.906 3.035 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC001209766423 1372189381 /nfs/dbraw/zinc/18/93/81/1372189381.db2.gz FKMQMYOSHPFIAF-GOSISDBHSA-N 2 2 334.423 3.433 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC001209766423 1372189383 /nfs/dbraw/zinc/18/93/83/1372189383.db2.gz FKMQMYOSHPFIAF-GOSISDBHSA-N 2 2 334.423 3.433 20 0 EGADLP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438591 1372353398 /nfs/dbraw/zinc/35/33/98/1372353398.db2.gz UWEUKZKKIZAWRS-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](CC(F)(F)C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001211895886 1372629289 /nfs/dbraw/zinc/62/92/89/1372629289.db2.gz PABWLKMVIMBNJH-LLVKDONJSA-N 2 2 333.342 3.010 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CCC3CCCCCC3)ccn12 ZINC001127293464 1373113397 /nfs/dbraw/zinc/11/33/97/1373113397.db2.gz UVARNLFERYPNAO-UHFFFAOYSA-N 2 2 342.487 3.323 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001128967271 1373328842 /nfs/dbraw/zinc/32/88/42/1373328842.db2.gz IZIDATWHZWQMPF-HNNXBMFYSA-N 2 2 342.487 3.107 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC001128967271 1373328844 /nfs/dbraw/zinc/32/88/44/1373328844.db2.gz IZIDATWHZWQMPF-HNNXBMFYSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CCC1=CCCCC1)n1cc[nH+]c1 ZINC001130006272 1373445512 /nfs/dbraw/zinc/44/55/12/1373445512.db2.gz AFPYRODELRPSIY-SFHVURJKSA-N 2 2 332.492 3.067 20 0 EGADLP O=C(NCC[NH2+]CCC1CCCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001130268771 1373481888 /nfs/dbraw/zinc/48/18/88/1373481888.db2.gz IEARDCOWVWTQPA-UHFFFAOYSA-N 2 2 328.460 3.243 20 0 EGADLP [NH3+][C@@H](CC(=O)Nc1ccn2cc[nH+]c2c1)Cc1cccc2ccccc21 ZINC001218788227 1373654527 /nfs/dbraw/zinc/65/45/27/1373654527.db2.gz QKIPCQZYZOWUCB-QGZVFWFLSA-N 2 2 344.418 3.386 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001131273826 1373673267 /nfs/dbraw/zinc/67/32/67/1373673267.db2.gz VTTGENJHGOAORG-MRXNPFEDSA-N 2 2 336.439 3.032 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]C[C@@H]2CCCC(F)(F)C2)c(C)[nH+]1 ZINC001131560546 1373721415 /nfs/dbraw/zinc/72/14/15/1373721415.db2.gz SOLGQIRDKBBVHB-OAHLLOKOSA-N 2 2 339.430 3.152 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H]2CCc3ccc(F)cc32)c(C)[nH+]1 ZINC001131562998 1373721724 /nfs/dbraw/zinc/72/17/24/1373721724.db2.gz TZFIDBSIKATWCR-SFHVURJKSA-N 2 2 341.430 3.153 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCc2cccc(F)c2)c(C)[nH+]1 ZINC001131560332 1373721784 /nfs/dbraw/zinc/72/17/84/1373721784.db2.gz ISLHADUBJKLPAG-UHFFFAOYSA-N 2 2 343.446 3.098 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222935569 1375028862 /nfs/dbraw/zinc/02/88/62/1375028862.db2.gz BDZWQBRBBJZTLU-QYZOEREBSA-N 2 2 346.519 3.193 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]21 ZINC001222935569 1375028867 /nfs/dbraw/zinc/02/88/67/1375028867.db2.gz BDZWQBRBBJZTLU-QYZOEREBSA-N 2 2 346.519 3.193 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225653628 1375138975 /nfs/dbraw/zinc/13/89/75/1375138975.db2.gz ZERCQYSTYFOQBN-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090809 1375140850 /nfs/dbraw/zinc/14/08/50/1375140850.db2.gz MJYUBFWAKAMYRS-VQIMIIECSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090809 1375140852 /nfs/dbraw/zinc/14/08/52/1375140852.db2.gz MJYUBFWAKAMYRS-VQIMIIECSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090809 1375140854 /nfs/dbraw/zinc/14/08/54/1375140854.db2.gz MJYUBFWAKAMYRS-VQIMIIECSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090809 1375140857 /nfs/dbraw/zinc/14/08/57/1375140857.db2.gz MJYUBFWAKAMYRS-VQIMIIECSA-N 2 2 344.503 3.202 20 0 EGADLP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226250631 1375226890 /nfs/dbraw/zinc/22/68/90/1375226890.db2.gz FNASOQGSSQLDOS-IAGOWNOFSA-N 2 2 328.460 3.073 20 0 EGADLP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226972873 1375374612 /nfs/dbraw/zinc/37/46/12/1375374612.db2.gz GYQXNRTVFCVFGZ-KZNAEPCWSA-N 2 2 334.508 3.287 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546037 1375452460 /nfs/dbraw/zinc/45/24/60/1375452460.db2.gz HXDGCMNNHIJUSZ-ZYHOBAKYSA-N 2 2 346.519 3.379 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546037 1375452461 /nfs/dbraw/zinc/45/24/61/1375452461.db2.gz HXDGCMNNHIJUSZ-ZYHOBAKYSA-N 2 2 346.519 3.379 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132546805 1375453236 /nfs/dbraw/zinc/45/32/36/1375453236.db2.gz RVWBLFLDJUKPOL-MSOLQXFVSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132546805 1375453237 /nfs/dbraw/zinc/45/32/37/1375453237.db2.gz RVWBLFLDJUKPOL-MSOLQXFVSA-N 2 2 348.535 3.459 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249452 1375533513 /nfs/dbraw/zinc/53/35/13/1375533513.db2.gz LNEGNJBZKVIAJE-MRXNPFEDSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228528614 1375587795 /nfs/dbraw/zinc/58/77/95/1375587795.db2.gz HFKWATNVIRITDR-BRWVUGGUSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529942 1375589190 /nfs/dbraw/zinc/58/91/90/1375589190.db2.gz ZQVGVPCZIFLALV-BRWVUGGUSA-N 2 2 346.519 3.427 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133241861 1375863035 /nfs/dbraw/zinc/86/30/35/1375863035.db2.gz LUBNGCFGLSRIGW-NVXWUHKLSA-N 2 2 348.535 3.198 20 0 EGADLP CCC(=O)C1(c2cccc(OC3C[NH+](C(C)C)C3)c2)CC[NH+](C)CC1 ZINC001229734519 1375882538 /nfs/dbraw/zinc/88/25/38/1375882538.db2.gz XYRYOPZKWBIRHZ-UHFFFAOYSA-N 2 2 344.499 3.101 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363946 1375945125 /nfs/dbraw/zinc/94/51/25/1375945125.db2.gz QIPXMCSFHCHQNZ-MJGOQNOKSA-N 2 2 348.535 3.174 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)ccc2[nH+]1 ZINC001230518909 1376051046 /nfs/dbraw/zinc/05/10/46/1376051046.db2.gz WCMIESUEIHZOLP-HNNXBMFYSA-N 2 2 342.830 3.452 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)ccc2[nH+]1 ZINC001230518909 1376051053 /nfs/dbraw/zinc/05/10/53/1376051053.db2.gz WCMIESUEIHZOLP-HNNXBMFYSA-N 2 2 342.830 3.452 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610795 1376100677 /nfs/dbraw/zinc/10/06/77/1376100677.db2.gz HOAMDIWZZZIGRW-JXCVUKRWSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610795 1376100683 /nfs/dbraw/zinc/10/06/83/1376100683.db2.gz HOAMDIWZZZIGRW-JXCVUKRWSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc(C)n1 ZINC001231996782 1376375512 /nfs/dbraw/zinc/37/55/12/1376375512.db2.gz HCOUJWHYXDAVSY-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc(C)n1 ZINC001231996782 1376375516 /nfs/dbraw/zinc/37/55/16/1376375516.db2.gz HCOUJWHYXDAVSY-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc(C)n1 ZINC001231996782 1376375522 /nfs/dbraw/zinc/37/55/22/1376375522.db2.gz HCOUJWHYXDAVSY-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc(C)n1 ZINC001231996782 1376375526 /nfs/dbraw/zinc/37/55/26/1376375526.db2.gz HCOUJWHYXDAVSY-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228119 1376424106 /nfs/dbraw/zinc/42/41/06/1376424106.db2.gz LQTPPBZQQSNXKG-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134231068 1376425235 /nfs/dbraw/zinc/42/52/35/1376425235.db2.gz ZIBYXPBUUQIGQV-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCC(C)(C)C ZINC001134402832 1376512084 /nfs/dbraw/zinc/51/20/84/1376512084.db2.gz IHGQSXKLXZMYPV-CVEARBPZSA-N 2 2 348.535 3.071 20 0 EGADLP C[C@H](CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)n1cc[nH+]c1 ZINC001134499216 1376570994 /nfs/dbraw/zinc/57/09/94/1376570994.db2.gz YPSUCRFMJOTJAR-MRXNPFEDSA-N 2 2 340.471 3.008 20 0 EGADLP Clc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)o1 ZINC001233315761 1376612072 /nfs/dbraw/zinc/61/20/72/1376612072.db2.gz XHHOBEWCJMZQCP-UHFFFAOYSA-N 2 2 348.878 3.174 20 0 EGADLP Clc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)o1 ZINC001233315761 1376612074 /nfs/dbraw/zinc/61/20/74/1376612074.db2.gz XHHOBEWCJMZQCP-UHFFFAOYSA-N 2 2 348.878 3.174 20 0 EGADLP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1cccc3[nH+]ccn31)CC2 ZINC001233364108 1376629200 /nfs/dbraw/zinc/62/92/00/1376629200.db2.gz QPSJWYTZVFZGLR-KRWDZBQOSA-N 2 2 341.455 3.280 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)[nH+]1 ZINC001233363933 1376629710 /nfs/dbraw/zinc/62/97/10/1376629710.db2.gz HNADOFZDGKJVKS-VQTJNVASSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)[nH+]1 ZINC001233363933 1376629715 /nfs/dbraw/zinc/62/97/15/1376629715.db2.gz HNADOFZDGKJVKS-VQTJNVASSA-N 2 2 346.478 3.288 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233444082 1376646488 /nfs/dbraw/zinc/64/64/88/1376646488.db2.gz CCOFTMSOFJJCDK-FUHWJXTLSA-N 2 2 345.874 3.041 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233444082 1376646489 /nfs/dbraw/zinc/64/64/89/1376646489.db2.gz CCOFTMSOFJJCDK-FUHWJXTLSA-N 2 2 345.874 3.041 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233444082 1376646492 /nfs/dbraw/zinc/64/64/92/1376646492.db2.gz CCOFTMSOFJJCDK-FUHWJXTLSA-N 2 2 345.874 3.041 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4nc(Cl)ccc4c3)C[C@@H]2C1 ZINC001233444082 1376646496 /nfs/dbraw/zinc/64/64/96/1376646496.db2.gz CCOFTMSOFJJCDK-FUHWJXTLSA-N 2 2 345.874 3.041 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC2CCCC2)c[nH+]1 ZINC001134730204 1376682311 /nfs/dbraw/zinc/68/23/11/1376682311.db2.gz UJBLXOKGPYKLJI-HZPDHXFCSA-N 2 2 348.535 3.380 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741269 1376691227 /nfs/dbraw/zinc/69/12/27/1376691227.db2.gz WHMLDNNLVVGGGA-HUUCEWRRSA-N 2 2 330.476 3.486 20 0 EGADLP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134745766 1376694244 /nfs/dbraw/zinc/69/42/44/1376694244.db2.gz ZUTUOBFYUCZNPI-PWHGLLLSSA-N 2 2 347.503 3.252 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234067981 1376762251 /nfs/dbraw/zinc/76/22/51/1376762251.db2.gz WDTWSRULODLOJZ-KRWDZBQOSA-N 2 2 334.423 3.265 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234067981 1376762257 /nfs/dbraw/zinc/76/22/57/1376762257.db2.gz WDTWSRULODLOJZ-KRWDZBQOSA-N 2 2 334.423 3.265 20 0 EGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115912 1376847970 /nfs/dbraw/zinc/84/79/70/1376847970.db2.gz SMUCETIELBCXJV-WIYYLYMNSA-N 2 2 330.516 3.443 20 0 EGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115912 1376847977 /nfs/dbraw/zinc/84/79/77/1376847977.db2.gz SMUCETIELBCXJV-WIYYLYMNSA-N 2 2 330.516 3.443 20 0 EGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235120515 1376850826 /nfs/dbraw/zinc/85/08/26/1376850826.db2.gz SNUGYPVTMRHTGE-HXUWFJFHSA-N 2 2 332.488 3.045 20 0 EGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235120515 1376850832 /nfs/dbraw/zinc/85/08/32/1376850832.db2.gz SNUGYPVTMRHTGE-HXUWFJFHSA-N 2 2 332.488 3.045 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124120 1376855005 /nfs/dbraw/zinc/85/50/05/1376855005.db2.gz PJBAHPFJCVAIGM-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124120 1376855011 /nfs/dbraw/zinc/85/50/11/1376855011.db2.gz PJBAHPFJCVAIGM-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124120 1376855015 /nfs/dbraw/zinc/85/50/15/1376855015.db2.gz PJBAHPFJCVAIGM-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124120 1376855020 /nfs/dbraw/zinc/85/50/20/1376855020.db2.gz PJBAHPFJCVAIGM-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001135080553 1376883761 /nfs/dbraw/zinc/88/37/61/1376883761.db2.gz WZLOWCDQQRCWLN-HOTGVXAUSA-N 2 2 342.487 3.179 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001135080553 1376883764 /nfs/dbraw/zinc/88/37/64/1376883764.db2.gz WZLOWCDQQRCWLN-HOTGVXAUSA-N 2 2 342.487 3.179 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(OC)c(Cl)c2)CC1 ZINC001235704074 1376885132 /nfs/dbraw/zinc/88/51/32/1376885132.db2.gz FFHGPOQMCVGZLI-UHFFFAOYSA-N 2 2 325.884 3.440 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(OC)c(Cl)c2)CC1 ZINC001235704074 1376885136 /nfs/dbraw/zinc/88/51/36/1376885136.db2.gz FFHGPOQMCVGZLI-UHFFFAOYSA-N 2 2 325.884 3.440 20 0 EGADLP CC(C)C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[NH2+]1 ZINC001235881895 1376909484 /nfs/dbraw/zinc/90/94/84/1376909484.db2.gz LHBQXCIFJNQISD-INIZCTEOSA-N 2 2 332.879 3.346 20 0 EGADLP C[C@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001237057639 1376974293 /nfs/dbraw/zinc/97/42/93/1376974293.db2.gz OZWAZMVMFOAAPW-RISCZKNCSA-N 2 2 327.266 3.166 20 0 EGADLP C[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001237057639 1376974297 /nfs/dbraw/zinc/97/42/97/1376974297.db2.gz OZWAZMVMFOAAPW-RISCZKNCSA-N 2 2 327.266 3.166 20 0 EGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237141641 1376976394 /nfs/dbraw/zinc/97/63/94/1376976394.db2.gz JCWKVFBYRVNZSU-UTKZUKDTSA-N 2 2 330.516 3.227 20 0 EGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237141641 1376976398 /nfs/dbraw/zinc/97/63/98/1376976398.db2.gz JCWKVFBYRVNZSU-UTKZUKDTSA-N 2 2 330.516 3.227 20 0 EGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2scnc2Br)CC1 ZINC001238034697 1376992242 /nfs/dbraw/zinc/99/22/42/1376992242.db2.gz FVEVFHYHULSIRS-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2scnc2Br)CC1 ZINC001238034697 1376992244 /nfs/dbraw/zinc/99/22/44/1376992244.db2.gz FVEVFHYHULSIRS-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP COCOc1ccc(C)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244457128 1377037403 /nfs/dbraw/zinc/03/74/03/1377037403.db2.gz CPDGQUUCBATAQC-KRWDZBQOSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1ccc(C)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244457128 1377037411 /nfs/dbraw/zinc/03/74/11/1377037411.db2.gz CPDGQUUCBATAQC-KRWDZBQOSA-N 2 2 326.440 3.178 20 0 EGADLP CCCC[C@@H]1C[C@@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383004 1377051621 /nfs/dbraw/zinc/05/16/21/1377051621.db2.gz GVSPJFAVJFBNFN-SJORKVTESA-N 2 2 332.492 3.056 20 0 EGADLP Fc1cccc(C[N@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCc3ncsc3C2)c1 ZINC001246939250 1377056247 /nfs/dbraw/zinc/05/62/47/1377056247.db2.gz UJIGPMRDYIGCDG-IRXDYDNUSA-N 2 2 345.487 3.394 20 0 EGADLP Fc1cccc(C[N@@H+]([C@H]2CCC[NH2+]C2)[C@H]2CCc3ncsc3C2)c1 ZINC001246939250 1377056250 /nfs/dbraw/zinc/05/62/50/1377056250.db2.gz UJIGPMRDYIGCDG-IRXDYDNUSA-N 2 2 345.487 3.394 20 0 EGADLP CCCC(CCC)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001257339874 1377114115 /nfs/dbraw/zinc/11/41/15/1377114115.db2.gz KEZXBSSZFMHKML-UHFFFAOYSA-N 2 2 333.524 3.091 20 0 EGADLP CCCC(CCC)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001257339874 1377114117 /nfs/dbraw/zinc/11/41/17/1377114117.db2.gz KEZXBSSZFMHKML-UHFFFAOYSA-N 2 2 333.524 3.091 20 0 EGADLP Cc1cccn2c(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cnc12 ZINC001136967595 1377446976 /nfs/dbraw/zinc/44/69/76/1377446976.db2.gz JHYJFQYXDFDXPK-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2c(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cnc12 ZINC001136967595 1377446977 /nfs/dbraw/zinc/44/69/77/1377446977.db2.gz JHYJFQYXDFDXPK-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535353 1377562467 /nfs/dbraw/zinc/56/24/67/1377562467.db2.gz JEVSSFAXINLCKJ-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535353 1377562471 /nfs/dbraw/zinc/56/24/71/1377562471.db2.gz JEVSSFAXINLCKJ-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535353 1377562475 /nfs/dbraw/zinc/56/24/75/1377562475.db2.gz JEVSSFAXINLCKJ-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535353 1377562478 /nfs/dbraw/zinc/56/24/78/1377562478.db2.gz JEVSSFAXINLCKJ-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COCC[N@H+](Cc1cc(F)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001138092758 1377676090 /nfs/dbraw/zinc/67/60/90/1377676090.db2.gz WRJLCJMPZSKXTJ-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP COCC[N@@H+](Cc1cc(F)ccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001138092758 1377676091 /nfs/dbraw/zinc/67/60/91/1377676091.db2.gz WRJLCJMPZSKXTJ-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cc(C(=O)OC)ccc23)CC1 ZINC001138265385 1377695519 /nfs/dbraw/zinc/69/55/19/1377695519.db2.gz YCVYKZZMFHXIHN-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CCCC[N@H+](CC(=O)OCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550146 1377740726 /nfs/dbraw/zinc/74/07/26/1377740726.db2.gz KWYMJBFQWHZKDJ-UHFFFAOYSA-N 2 2 329.444 3.346 20 0 EGADLP CCCC[N@@H+](CC(=O)OCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550146 1377740728 /nfs/dbraw/zinc/74/07/28/1377740728.db2.gz KWYMJBFQWHZKDJ-UHFFFAOYSA-N 2 2 329.444 3.346 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138621784 1377754685 /nfs/dbraw/zinc/75/46/85/1377754685.db2.gz FOXSCMOVMNNROC-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138621784 1377754687 /nfs/dbraw/zinc/75/46/87/1377754687.db2.gz FOXSCMOVMNNROC-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@@H]3C2)c1 ZINC001138744557 1377778471 /nfs/dbraw/zinc/77/84/71/1377778471.db2.gz NNFIFXXAFFAHRN-IAGOWNOFSA-N 2 2 338.480 3.188 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001139356792 1377872974 /nfs/dbraw/zinc/87/29/74/1377872974.db2.gz TWWPZSADVSHKKB-BBRMVZONSA-N 2 2 339.361 3.008 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001139356792 1377872981 /nfs/dbraw/zinc/87/29/81/1377872981.db2.gz TWWPZSADVSHKKB-BBRMVZONSA-N 2 2 339.361 3.008 20 0 EGADLP CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139362345 1377874192 /nfs/dbraw/zinc/87/41/92/1377874192.db2.gz LWFLUPDAIGYNKI-KRWDZBQOSA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139362345 1377874193 /nfs/dbraw/zinc/87/41/93/1377874193.db2.gz LWFLUPDAIGYNKI-KRWDZBQOSA-N 2 2 327.428 3.038 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139368046 1377875790 /nfs/dbraw/zinc/87/57/90/1377875790.db2.gz FCIQPZBDQOZBTL-UHFFFAOYSA-N 2 2 340.924 3.420 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139368046 1377875795 /nfs/dbraw/zinc/87/57/95/1377875795.db2.gz FCIQPZBDQOZBTL-UHFFFAOYSA-N 2 2 340.924 3.420 20 0 EGADLP COCC[N@H+](Cc1ccc(OC)c(C(C)C)c1)C1CC[NH+](C)CC1 ZINC001139618194 1377919374 /nfs/dbraw/zinc/91/93/74/1377919374.db2.gz NOPGSVBKFKGACX-UHFFFAOYSA-N 2 2 334.504 3.361 20 0 EGADLP COCC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)C1CC[NH+](C)CC1 ZINC001139618194 1377919375 /nfs/dbraw/zinc/91/93/75/1377919375.db2.gz NOPGSVBKFKGACX-UHFFFAOYSA-N 2 2 334.504 3.361 20 0 EGADLP CCC(=O)N(C)C1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140027549 1377993299 /nfs/dbraw/zinc/99/32/99/1377993299.db2.gz PSYISDJKWDMAND-UHFFFAOYSA-N 2 2 340.471 3.014 20 0 EGADLP COCC[N@H+](Cc1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC001140172968 1378025377 /nfs/dbraw/zinc/02/53/77/1378025377.db2.gz JGUVWXIFFSXFFV-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COCC[N@@H+](Cc1ccc(-c2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC001140172968 1378025378 /nfs/dbraw/zinc/02/53/78/1378025378.db2.gz JGUVWXIFFSXFFV-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc(C)c1O ZINC001140658862 1378107936 /nfs/dbraw/zinc/10/79/36/1378107936.db2.gz AMHOVTTYNVCTOY-UHFFFAOYSA-N 2 2 332.488 3.084 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc(C)c1O ZINC001140658862 1378107938 /nfs/dbraw/zinc/10/79/38/1378107938.db2.gz AMHOVTTYNVCTOY-UHFFFAOYSA-N 2 2 332.488 3.084 20 0 EGADLP OCc1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140683323 1378114114 /nfs/dbraw/zinc/11/41/14/1378114114.db2.gz WDCMQKZPSPMOGJ-XWDORNJCSA-N 2 2 342.483 3.167 20 0 EGADLP OCc1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140683323 1378114118 /nfs/dbraw/zinc/11/41/18/1378114118.db2.gz WDCMQKZPSPMOGJ-XWDORNJCSA-N 2 2 342.483 3.167 20 0 EGADLP OCc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140683323 1378114120 /nfs/dbraw/zinc/11/41/20/1378114120.db2.gz WDCMQKZPSPMOGJ-XWDORNJCSA-N 2 2 342.483 3.167 20 0 EGADLP OCc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)o1 ZINC001140683323 1378114123 /nfs/dbraw/zinc/11/41/23/1378114123.db2.gz WDCMQKZPSPMOGJ-XWDORNJCSA-N 2 2 342.483 3.167 20 0 EGADLP COc1cccc(Cl)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001140731154 1378125968 /nfs/dbraw/zinc/12/59/68/1378125968.db2.gz NTJXQRPUHVTWIP-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP Cn1cnc2ccc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cc21 ZINC001140743093 1378128569 /nfs/dbraw/zinc/12/85/69/1378128569.db2.gz XXJDSXQAWMVLON-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1cnc2ccc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cc21 ZINC001140743093 1378128571 /nfs/dbraw/zinc/12/85/71/1378128571.db2.gz XXJDSXQAWMVLON-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001140773087 1378133635 /nfs/dbraw/zinc/13/36/35/1378133635.db2.gz KHXZKGMIELKNFZ-JKSUJKDBSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001140773087 1378133637 /nfs/dbraw/zinc/13/36/37/1378133637.db2.gz KHXZKGMIELKNFZ-JKSUJKDBSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(O)cc(OC)c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001140773087 1378133639 /nfs/dbraw/zinc/13/36/39/1378133639.db2.gz KHXZKGMIELKNFZ-JKSUJKDBSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(O)cc(OC)c1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001140773087 1378133640 /nfs/dbraw/zinc/13/36/40/1378133640.db2.gz KHXZKGMIELKNFZ-JKSUJKDBSA-N 2 2 348.487 3.248 20 0 EGADLP C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCO1 ZINC001140804691 1378144413 /nfs/dbraw/zinc/14/44/13/1378144413.db2.gz ADOKQPHIGYGFBK-LJQANCHMSA-N 2 2 325.387 3.450 20 0 EGADLP C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCO1 ZINC001140804691 1378144416 /nfs/dbraw/zinc/14/44/16/1378144416.db2.gz ADOKQPHIGYGFBK-LJQANCHMSA-N 2 2 325.387 3.450 20 0 EGADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807089 1378145564 /nfs/dbraw/zinc/14/55/64/1378145564.db2.gz LIBOULJPPNZZDD-OAHLLOKOSA-N 2 2 344.459 3.394 20 0 EGADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807089 1378145566 /nfs/dbraw/zinc/14/55/66/1378145566.db2.gz LIBOULJPPNZZDD-OAHLLOKOSA-N 2 2 344.459 3.394 20 0 EGADLP CC[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C(=O)OC(C)(C)C ZINC001140806356 1378146945 /nfs/dbraw/zinc/14/69/45/1378146945.db2.gz GMBKGJMLJGQJIX-HNNXBMFYSA-N 2 2 344.459 3.394 20 0 EGADLP CCCCc1[nH]c(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c[nH+]1 ZINC001141072021 1378230820 /nfs/dbraw/zinc/23/08/20/1378230820.db2.gz LPUDHSUMWDKCSY-RTBURBONSA-N 2 2 338.499 3.316 20 0 EGADLP CC(C)CC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC001278173520 1378261155 /nfs/dbraw/zinc/26/11/55/1378261155.db2.gz OPQKKUFTEFPVEA-LVFSCSRESA-N 2 2 340.471 3.323 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1sccc1Oc1ccccc1 ZINC001142000968 1378402871 /nfs/dbraw/zinc/40/28/71/1378402871.db2.gz CSKCCYCVTSRLKN-UHFFFAOYSA-N 2 2 345.512 3.220 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1sccc1Oc1ccccc1 ZINC001142000968 1378402872 /nfs/dbraw/zinc/40/28/72/1378402872.db2.gz CSKCCYCVTSRLKN-UHFFFAOYSA-N 2 2 345.512 3.220 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cnc3ccc(Cl)nn23)C2CCCC2)CC1 ZINC001143002757 1378523835 /nfs/dbraw/zinc/52/38/35/1378523835.db2.gz JMKVDTSZKNMKDP-UHFFFAOYSA-N 2 2 347.894 3.222 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cnc3ccc(Cl)nn23)C2CCCC2)CC1 ZINC001143002757 1378523839 /nfs/dbraw/zinc/52/38/39/1378523839.db2.gz JMKVDTSZKNMKDP-UHFFFAOYSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc(C)c1F ZINC001143374201 1378588796 /nfs/dbraw/zinc/58/87/96/1378588796.db2.gz OPRSTJWPBXAPMP-BGYRXZFFSA-N 2 2 339.458 3.401 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc(C)c1F ZINC001143374201 1378588798 /nfs/dbraw/zinc/58/87/98/1378588798.db2.gz OPRSTJWPBXAPMP-BGYRXZFFSA-N 2 2 339.458 3.401 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc(C)c1F ZINC001143374201 1378588801 /nfs/dbraw/zinc/58/88/01/1378588801.db2.gz OPRSTJWPBXAPMP-BGYRXZFFSA-N 2 2 339.458 3.401 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc(C)c1F ZINC001143374201 1378588804 /nfs/dbraw/zinc/58/88/04/1378588804.db2.gz OPRSTJWPBXAPMP-BGYRXZFFSA-N 2 2 339.458 3.401 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004977 1380175531 /nfs/dbraw/zinc/17/55/31/1380175531.db2.gz RYUVFEVFYBEFJN-MRXNPFEDSA-N 2 2 335.492 3.040 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004977 1380175532 /nfs/dbraw/zinc/17/55/32/1380175532.db2.gz RYUVFEVFYBEFJN-MRXNPFEDSA-N 2 2 335.492 3.040 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321426 1380436728 /nfs/dbraw/zinc/43/67/28/1380436728.db2.gz MVYDCNFQSBDHJX-RVLODESQSA-N 2 2 346.519 3.097 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321426 1380436730 /nfs/dbraw/zinc/43/67/30/1380436730.db2.gz MVYDCNFQSBDHJX-RVLODESQSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001328082596 1388665208 /nfs/dbraw/zinc/66/52/08/1388665208.db2.gz PJCCEQUHBNSANL-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001328082596 1388665210 /nfs/dbraw/zinc/66/52/10/1388665210.db2.gz PJCCEQUHBNSANL-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP C[C@@H]1CCCN(c2cc(N(CC(C)(C)C)C3CC[NH2+]CC3)nc[nH+]2)C1 ZINC001157891525 1381062145 /nfs/dbraw/zinc/06/21/45/1381062145.db2.gz DLAJILVGWZKUFP-MRXNPFEDSA-N 2 2 345.535 3.317 20 0 EGADLP C[C@@H]1CCCN(c2cc(N(CC(C)(C)C)C3CC[NH2+]CC3)[nH+]cn2)C1 ZINC001157891525 1381062150 /nfs/dbraw/zinc/06/21/50/1381062150.db2.gz DLAJILVGWZKUFP-MRXNPFEDSA-N 2 2 345.535 3.317 20 0 EGADLP CCOC(=O)Cc1ccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001158266837 1381178493 /nfs/dbraw/zinc/17/84/93/1381178493.db2.gz USRKZHOFCPFLPW-KXBFYZLASA-N 2 2 333.476 3.143 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533878 1381284680 /nfs/dbraw/zinc/28/46/80/1381284680.db2.gz JUUUAEAGCBNHDX-DUMMIQTOSA-N 2 2 332.492 3.012 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533878 1381284685 /nfs/dbraw/zinc/28/46/85/1381284685.db2.gz JUUUAEAGCBNHDX-DUMMIQTOSA-N 2 2 332.492 3.012 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC(=O)c1ccccc1 ZINC001328323724 1388723022 /nfs/dbraw/zinc/72/30/22/1388723022.db2.gz ZQLRADFXDRFJOK-UHFFFAOYSA-N 2 2 334.379 3.177 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955617 1381484359 /nfs/dbraw/zinc/48/43/59/1381484359.db2.gz OGAZQKIASLDRNJ-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955617 1381484362 /nfs/dbraw/zinc/48/43/62/1381484362.db2.gz OGAZQKIASLDRNJ-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP Cc1c[nH+]c(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc1NC(C)C ZINC001159026469 1381517578 /nfs/dbraw/zinc/51/75/78/1381517578.db2.gz UUKZSZNITYWECA-UHFFFAOYSA-N 2 2 337.471 3.204 20 0 EGADLP COc1ccccc1CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001328356348 1388729301 /nfs/dbraw/zinc/72/93/01/1388729301.db2.gz UKQLEYWRZSEZKT-UHFFFAOYSA-N 2 2 336.395 3.156 20 0 EGADLP CCOc1ccc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)cc1 ZINC001159330852 1381765324 /nfs/dbraw/zinc/76/53/24/1381765324.db2.gz WSQRZEKDWWXBLF-UHFFFAOYSA-N 2 2 326.444 3.200 20 0 EGADLP Cc1c[nH+]c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)cc1C ZINC001159629094 1381853301 /nfs/dbraw/zinc/85/33/01/1381853301.db2.gz OTGGBRVWKRBQKG-MXVIHJGJSA-N 2 2 342.531 3.449 20 0 EGADLP Cc1[nH+]cc(Nc2ccc(OCC3CC[NH2+]CC3)c(F)c2)cc1N ZINC001159881264 1381926993 /nfs/dbraw/zinc/92/69/93/1381926993.db2.gz SHKXIGVIIUETRD-UHFFFAOYSA-N 2 2 330.407 3.233 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964396 1381951798 /nfs/dbraw/zinc/95/17/98/1381951798.db2.gz JYEASXOMPUVXDX-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964396 1381951801 /nfs/dbraw/zinc/95/18/01/1381951801.db2.gz JYEASXOMPUVXDX-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CCC[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160799116 1382200568 /nfs/dbraw/zinc/20/05/68/1382200568.db2.gz YYDWGQRQKNSPND-UHFFFAOYSA-N 2 2 338.455 3.034 20 0 EGADLP CCC[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160799116 1382200573 /nfs/dbraw/zinc/20/05/73/1382200573.db2.gz YYDWGQRQKNSPND-UHFFFAOYSA-N 2 2 338.455 3.034 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541036 1382298018 /nfs/dbraw/zinc/29/80/18/1382298018.db2.gz LZDPRMLJEMGMSR-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541036 1382298023 /nfs/dbraw/zinc/29/80/23/1382298023.db2.gz LZDPRMLJEMGMSR-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001161680581 1382478879 /nfs/dbraw/zinc/47/88/79/1382478879.db2.gz IAXRFEWGHUIZAZ-QAQDUYKDSA-N 2 2 347.503 3.310 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3cccc(OC(F)F)c3)c2)C1 ZINC001161991508 1382592484 /nfs/dbraw/zinc/59/24/84/1382592484.db2.gz XJYPHGLIQWWLPZ-MRXNPFEDSA-N 2 2 347.409 3.433 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3cccc(OC(F)F)c3)c2)C1 ZINC001161991508 1382592488 /nfs/dbraw/zinc/59/24/88/1382592488.db2.gz XJYPHGLIQWWLPZ-MRXNPFEDSA-N 2 2 347.409 3.433 20 0 EGADLP CN(C)c1cc(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)[nH+]cn1 ZINC001162231148 1382662414 /nfs/dbraw/zinc/66/24/14/1382662414.db2.gz MCJAZLRGYWQDHG-QGZVFWFLSA-N 2 2 343.450 3.225 20 0 EGADLP CN(C)c1cc(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)nc[nH+]1 ZINC001162231148 1382662420 /nfs/dbraw/zinc/66/24/20/1382662420.db2.gz MCJAZLRGYWQDHG-QGZVFWFLSA-N 2 2 343.450 3.225 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(F)c1Cl ZINC001162891074 1382906355 /nfs/dbraw/zinc/90/63/55/1382906355.db2.gz BQMSKNBSPOFGSR-GFCCVEGCSA-N 2 2 334.826 3.457 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(F)cc2C)c(C)[nH+]1 ZINC001162910367 1382913022 /nfs/dbraw/zinc/91/30/22/1382913022.db2.gz MKZIOWJAQQRPHG-UHFFFAOYSA-N 2 2 343.446 3.364 20 0 EGADLP CCCc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc(CCC)[nH+]1 ZINC001162957317 1382927388 /nfs/dbraw/zinc/92/73/88/1382927388.db2.gz KYEWPUTVNXTGBF-KRWDZBQOSA-N 2 2 346.519 3.342 20 0 EGADLP CC(C)COc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc[nH+]1 ZINC001163062647 1382958924 /nfs/dbraw/zinc/95/89/24/1382958924.db2.gz ASNOIZQENHSWEX-MRXNPFEDSA-N 2 2 328.460 3.140 20 0 EGADLP Fc1ccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc1-n1cc[nH+]c1 ZINC001163064742 1382959885 /nfs/dbraw/zinc/95/98/85/1382959885.db2.gz GCECFNDHWZPTRE-OAHLLOKOSA-N 2 2 339.418 3.035 20 0 EGADLP Brc1ccc2[nH+]ccn2c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163239869 1383003609 /nfs/dbraw/zinc/00/36/09/1383003609.db2.gz SOMIDYZCWJRTCP-LLVKDONJSA-N 2 2 349.257 3.415 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163472536 1383059451 /nfs/dbraw/zinc/05/94/51/1383059451.db2.gz HWLNEJUQMAYCRH-QGZVFWFLSA-N 2 2 342.487 3.264 20 0 EGADLP C[NH+](C)C1(CNc2nc(Cl)cc3ccccc32)CC[NH+](C)CC1 ZINC001164206730 1383165964 /nfs/dbraw/zinc/16/59/64/1383165964.db2.gz AHBIKUKGDMUYPX-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CC(C)=CC[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164540948 1383197577 /nfs/dbraw/zinc/19/75/77/1383197577.db2.gz SIAJCRGJBMBGGH-UHFFFAOYSA-N 2 2 340.471 3.099 20 0 EGADLP CCCc1cc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001165307019 1383270180 /nfs/dbraw/zinc/27/01/80/1383270180.db2.gz VZKIUEDWYYQUFL-AWEZNQCLSA-N 2 2 342.409 3.391 20 0 EGADLP CCCN(CCC)c1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc[nH+]1 ZINC001165323562 1383272677 /nfs/dbraw/zinc/27/26/77/1383272677.db2.gz LNLBFGQSJXODEX-GOSISDBHSA-N 2 2 345.535 3.462 20 0 EGADLP CCCN(CCC)c1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)[nH+]cn1 ZINC001165323562 1383272683 /nfs/dbraw/zinc/27/26/83/1383272683.db2.gz LNLBFGQSJXODEX-GOSISDBHSA-N 2 2 345.535 3.462 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001165383528 1383283288 /nfs/dbraw/zinc/28/32/88/1383283288.db2.gz LLEKFIFHTSRPMO-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001165383528 1383283293 /nfs/dbraw/zinc/28/32/93/1383283293.db2.gz LLEKFIFHTSRPMO-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)CC[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165638580 1383318510 /nfs/dbraw/zinc/31/85/10/1383318510.db2.gz VOFVRJHJMLPDRO-SFHVURJKSA-N 2 2 348.535 3.393 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718209 1383331262 /nfs/dbraw/zinc/33/12/62/1383331262.db2.gz DWOLCJCBSKZWGE-UHFFFAOYSA-N 2 2 348.535 3.383 20 0 EGADLP CSc1cc[nH+]c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001165911092 1383363115 /nfs/dbraw/zinc/36/31/15/1383363115.db2.gz PYHVPIQQLOWQBV-UHFFFAOYSA-N 2 2 343.500 3.052 20 0 EGADLP CCSc1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001167207766 1383567223 /nfs/dbraw/zinc/56/72/23/1383567223.db2.gz HOEAEBQKZJXGKV-APWZRJJASA-N 2 2 325.481 3.171 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC001167429768 1383632231 /nfs/dbraw/zinc/63/22/31/1383632231.db2.gz XFGVJHANWZUZHS-CABCVRRESA-N 2 2 348.878 3.345 20 0 EGADLP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)[nH+]c1 ZINC001167968645 1383781836 /nfs/dbraw/zinc/78/18/36/1383781836.db2.gz UWIOZOZVIBSKKJ-IHWFROFDSA-N 3 2 340.515 3.045 20 0 EGADLP c1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)[nH+]c1 ZINC001167968645 1383781838 /nfs/dbraw/zinc/78/18/38/1383781838.db2.gz UWIOZOZVIBSKKJ-IHWFROFDSA-N 3 2 340.515 3.045 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976338 1383784578 /nfs/dbraw/zinc/78/45/78/1383784578.db2.gz AXDVRBCTYXBVTI-INIZCTEOSA-N 2 2 334.508 3.045 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976338 1383784580 /nfs/dbraw/zinc/78/45/80/1383784580.db2.gz AXDVRBCTYXBVTI-INIZCTEOSA-N 2 2 334.508 3.045 20 0 EGADLP COc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC001168021981 1383798634 /nfs/dbraw/zinc/79/86/34/1383798634.db2.gz RUOOMZOJOBIAJK-HOTGVXAUSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H]1CC([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168046541 1383804708 /nfs/dbraw/zinc/80/47/08/1383804708.db2.gz NVVMPPJMHQUUPC-LFGUQSLTSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1CC([N@H+]2CC[C@@H]3COC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168046541 1383804710 /nfs/dbraw/zinc/80/47/10/1383804710.db2.gz NVVMPPJMHQUUPC-LFGUQSLTSA-N 2 2 328.500 3.396 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC001168257066 1383855180 /nfs/dbraw/zinc/85/51/80/1383855180.db2.gz ITYCHCLSLMEAKH-RTWAWAEBSA-N 2 2 336.479 3.417 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC001168257066 1383855182 /nfs/dbraw/zinc/85/51/82/1383855182.db2.gz ITYCHCLSLMEAKH-RTWAWAEBSA-N 2 2 336.479 3.417 20 0 EGADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365843 1383884377 /nfs/dbraw/zinc/88/43/77/1383884377.db2.gz XZYWFKDYYCFHSL-UHFFFAOYSA-N 3 2 345.506 3.036 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001168462955 1383913136 /nfs/dbraw/zinc/91/31/36/1383913136.db2.gz IFCGRIKOLAFCSB-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC001168492942 1383923443 /nfs/dbraw/zinc/92/34/43/1383923443.db2.gz BLZWYICARYRBDF-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001168582397 1383941995 /nfs/dbraw/zinc/94/19/95/1383941995.db2.gz DRLIOOLLVWAZIB-QUCCMNQESA-N 2 2 332.488 3.381 20 0 EGADLP C[NH+](C)CC(C)(C)CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001168767518 1383997025 /nfs/dbraw/zinc/99/70/25/1383997025.db2.gz BSWAIEQSDRRKDA-UHFFFAOYSA-N 2 2 325.254 3.325 20 0 EGADLP C[NH+](C)CC(C)(C)CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001168767518 1383997029 /nfs/dbraw/zinc/99/70/29/1383997029.db2.gz BSWAIEQSDRRKDA-UHFFFAOYSA-N 2 2 325.254 3.325 20 0 EGADLP C[NH+](C)CC(C)(C)CNc1c[nH+]c2c(F)cc(Br)cn12 ZINC001168769296 1383997471 /nfs/dbraw/zinc/99/74/71/1383997471.db2.gz LYEZXBAOSPFDNF-UHFFFAOYSA-N 2 2 343.244 3.236 20 0 EGADLP c1[nH]nc2c1C[N@H+](CCC[NH+]1CCC(Cc3ccccc3)CC1)CC2 ZINC001307645939 1384006925 /nfs/dbraw/zinc/00/69/25/1384006925.db2.gz DBRRTEPEPRMKRD-UHFFFAOYSA-N 2 2 338.499 3.113 20 0 EGADLP c1[nH]nc2c1C[N@@H+](CCC[NH+]1CCC(Cc3ccccc3)CC1)CC2 ZINC001307645939 1384006928 /nfs/dbraw/zinc/00/69/28/1384006928.db2.gz DBRRTEPEPRMKRD-UHFFFAOYSA-N 2 2 338.499 3.113 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC001308040086 1384080155 /nfs/dbraw/zinc/08/01/55/1384080155.db2.gz NRSHOXYBMKPQDC-KRWDZBQOSA-N 2 2 325.456 3.277 20 0 EGADLP COC(=O)[C@](C)([NH3+])Cc1cn(-c2c(C)cc[nH+]c2C)c2ccccc12 ZINC001169115884 1384109321 /nfs/dbraw/zinc/10/93/21/1384109321.db2.gz KYVGRYREWGEKJH-HXUWFJFHSA-N 2 2 337.423 3.075 20 0 EGADLP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2c(C)cc[nH+]c2C)c2ccccc12 ZINC001169115883 1384109396 /nfs/dbraw/zinc/10/93/96/1384109396.db2.gz KYVGRYREWGEKJH-FQEVSTJZSA-N 2 2 337.423 3.075 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3ncccc3c2)cn1 ZINC001308210689 1384109580 /nfs/dbraw/zinc/10/95/80/1384109580.db2.gz JAFSFYCTVHUOSS-UHFFFAOYSA-N 2 2 329.407 3.414 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114580 /nfs/dbraw/zinc/11/45/80/1384114580.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 3 2 339.527 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114582 /nfs/dbraw/zinc/11/45/82/1384114582.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114584 /nfs/dbraw/zinc/11/45/84/1384114584.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145564 1384114586 /nfs/dbraw/zinc/11/45/86/1384114586.db2.gz MZOHVQKTWCNSRD-CBPXPLCBSA-N 3 2 339.527 3.210 20 0 EGADLP C[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001308359850 1384121719 /nfs/dbraw/zinc/12/17/19/1384121719.db2.gz JNQMCHRDMVXWHU-OLZOCXBDSA-N 2 2 328.441 3.233 20 0 EGADLP CC[C@@H]1CCC[C@H](C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001308917653 1384159069 /nfs/dbraw/zinc/15/90/69/1384159069.db2.gz CYQFRHSVFZHGFE-MSOLQXFVSA-N 2 2 335.536 3.009 20 0 EGADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078470 1384229623 /nfs/dbraw/zinc/22/96/23/1384229623.db2.gz SGMALQQQGRPMDL-WOJBJXKFSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078470 1384229629 /nfs/dbraw/zinc/22/96/29/1384229629.db2.gz SGMALQQQGRPMDL-WOJBJXKFSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078470 1384229635 /nfs/dbraw/zinc/22/96/35/1384229635.db2.gz SGMALQQQGRPMDL-WOJBJXKFSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078470 1384229638 /nfs/dbraw/zinc/22/96/38/1384229638.db2.gz SGMALQQQGRPMDL-WOJBJXKFSA-N 2 2 340.552 3.262 20 0 EGADLP CC(C)CCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079313 1384230833 /nfs/dbraw/zinc/23/08/33/1384230833.db2.gz CJINSYLRPRETOF-RLLQIKCJSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079313 1384230834 /nfs/dbraw/zinc/23/08/34/1384230834.db2.gz CJINSYLRPRETOF-RLLQIKCJSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079313 1384230840 /nfs/dbraw/zinc/23/08/40/1384230840.db2.gz CJINSYLRPRETOF-RLLQIKCJSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079313 1384230841 /nfs/dbraw/zinc/23/08/41/1384230841.db2.gz CJINSYLRPRETOF-RLLQIKCJSA-N 2 2 332.536 3.389 20 0 EGADLP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)/C(C)=C/C=C/[NH3+] ZINC001170238600 1384273903 /nfs/dbraw/zinc/27/39/03/1384273903.db2.gz PRMPHJGAXWIZDA-LUGHLTEVSA-N 2 2 340.508 3.456 20 0 EGADLP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)/C(C)=C/C=C/[NH3+] ZINC001170238600 1384273906 /nfs/dbraw/zinc/27/39/06/1384273906.db2.gz PRMPHJGAXWIZDA-LUGHLTEVSA-N 2 2 340.508 3.456 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3ccccc3Cl)CC2)c1 ZINC001170294905 1384284757 /nfs/dbraw/zinc/28/47/57/1384284757.db2.gz SZVBBORLLQMHDQ-OAHLLOKOSA-N 2 2 345.874 3.497 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170472135 1384326013 /nfs/dbraw/zinc/32/60/13/1384326013.db2.gz KMWWDBWAOWHXJP-INIZCTEOSA-N 2 2 332.492 3.107 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483976 1384328988 /nfs/dbraw/zinc/32/89/88/1384328988.db2.gz SFGRKPOUTBTHFY-SJORKVTESA-N 2 2 342.487 3.368 20 0 EGADLP CCCCCC[C@@H](CC)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001170590997 1384346904 /nfs/dbraw/zinc/34/69/04/1384346904.db2.gz QGXFUMJDSFFERK-PMPSAXMXSA-N 2 2 327.513 3.272 20 0 EGADLP C1=C2CCC[NH+]([C@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001170835363 1384395215 /nfs/dbraw/zinc/39/52/15/1384395215.db2.gz RWVAXKOBYRXBQU-QGLKVJOYSA-N 2 2 330.516 3.451 20 0 EGADLP C1=C2CCC[NH+]([C@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001170835363 1384395219 /nfs/dbraw/zinc/39/52/19/1384395219.db2.gz RWVAXKOBYRXBQU-QGLKVJOYSA-N 2 2 330.516 3.451 20 0 EGADLP C1=C2CCC[N@@H+]([C@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001170835363 1384395222 /nfs/dbraw/zinc/39/52/22/1384395222.db2.gz RWVAXKOBYRXBQU-QGLKVJOYSA-N 2 2 330.516 3.451 20 0 EGADLP C1=C2CCC[N@H+]([C@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001170835363 1384395226 /nfs/dbraw/zinc/39/52/26/1384395226.db2.gz RWVAXKOBYRXBQU-QGLKVJOYSA-N 2 2 330.516 3.451 20 0 EGADLP Fc1cc2c(cc1F)C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001171461108 1384529613 /nfs/dbraw/zinc/52/96/13/1384529613.db2.gz VZWPMCQLIXLUCV-KRWDZBQOSA-N 2 2 343.421 3.476 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC2CC(C)C2)c[nH+]1 ZINC001171475319 1384533391 /nfs/dbraw/zinc/53/33/91/1384533391.db2.gz HVRRBEMDWFRXQF-UPTPFMHGSA-N 2 2 348.535 3.237 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171596076 1384574485 /nfs/dbraw/zinc/57/44/85/1384574485.db2.gz KCIKBOPOEFCSMC-ZWKOTPCHSA-N 2 2 348.535 3.146 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896039 1384673336 /nfs/dbraw/zinc/67/33/36/1384673336.db2.gz IMIDOXYCOFONOB-DKFQHHCZSA-N 2 2 348.535 3.364 20 0 EGADLP CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171941704 1384690363 /nfs/dbraw/zinc/69/03/63/1384690363.db2.gz AXRQBXPXUPVHEG-MRXNPFEDSA-N 2 2 328.460 3.161 20 0 EGADLP OC[C@@H]1C[C@H](F)C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067049 1384716574 /nfs/dbraw/zinc/71/65/74/1384716574.db2.gz ABVRNXXIZRABME-VIYGXFRKSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@H](F)C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067049 1384716577 /nfs/dbraw/zinc/71/65/77/1384716577.db2.gz ABVRNXXIZRABME-VIYGXFRKSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@H](F)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067049 1384716582 /nfs/dbraw/zinc/71/65/82/1384716582.db2.gz ABVRNXXIZRABME-VIYGXFRKSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@H](F)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067049 1384716585 /nfs/dbraw/zinc/71/65/85/1384716585.db2.gz ABVRNXXIZRABME-VIYGXFRKSA-N 2 2 346.490 3.224 20 0 EGADLP c1[nH+]cn2c1CN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172073557 1384719747 /nfs/dbraw/zinc/71/97/47/1384719747.db2.gz AJVOXYKQCRKGOF-ACDBMABISA-N 2 2 336.483 3.284 20 0 EGADLP c1[nH+]cn2c1CN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172073557 1384719750 /nfs/dbraw/zinc/71/97/50/1384719750.db2.gz AJVOXYKQCRKGOF-ACDBMABISA-N 2 2 336.483 3.284 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103603 1384726669 /nfs/dbraw/zinc/72/66/69/1384726669.db2.gz WFUHTWDTNKGTQY-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103603 1384726672 /nfs/dbraw/zinc/72/66/72/1384726672.db2.gz WFUHTWDTNKGTQY-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103603 1384726674 /nfs/dbraw/zinc/72/66/74/1384726674.db2.gz WFUHTWDTNKGTQY-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103603 1384726676 /nfs/dbraw/zinc/72/66/76/1384726676.db2.gz WFUHTWDTNKGTQY-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172103603 1384726680 /nfs/dbraw/zinc/72/66/80/1384726680.db2.gz WFUHTWDTNKGTQY-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172103603 1384726683 /nfs/dbraw/zinc/72/66/83/1384726683.db2.gz WFUHTWDTNKGTQY-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001172247267 1384755729 /nfs/dbraw/zinc/75/57/29/1384755729.db2.gz LCQILOVKILUPTQ-UHFFFAOYSA-N 2 2 348.384 3.435 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172285532 1384759969 /nfs/dbraw/zinc/75/99/69/1384759969.db2.gz YIVHYPAQJBCDIM-QGZVFWFLSA-N 2 2 347.503 3.289 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172285532 1384759971 /nfs/dbraw/zinc/75/99/71/1384759971.db2.gz YIVHYPAQJBCDIM-QGZVFWFLSA-N 2 2 347.503 3.289 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CCOCC(C)C ZINC001172467854 1384799346 /nfs/dbraw/zinc/79/93/46/1384799346.db2.gz MRZIIMKDLDHXMX-CEWLAPEOSA-N 2 2 348.531 3.317 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CCOCC(C)C ZINC001172467854 1384799349 /nfs/dbraw/zinc/79/93/49/1384799349.db2.gz MRZIIMKDLDHXMX-CEWLAPEOSA-N 2 2 348.531 3.317 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722683 1384838040 /nfs/dbraw/zinc/83/80/40/1384838040.db2.gz ZMROAJDINBWIHG-WOJBJXKFSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722683 1384838044 /nfs/dbraw/zinc/83/80/44/1384838044.db2.gz ZMROAJDINBWIHG-WOJBJXKFSA-N 2 2 348.918 3.382 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001172776686 1384849555 /nfs/dbraw/zinc/84/95/55/1384849555.db2.gz MEVPZFXJOJYNBR-ZWKOTPCHSA-N 2 2 345.487 3.010 20 0 EGADLP CCCOC1CCC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173097516 1384913306 /nfs/dbraw/zinc/91/33/06/1384913306.db2.gz FRCYSSJDOMNNBZ-UHFFFAOYSA-N 2 2 346.519 3.032 20 0 EGADLP CCCOC1CCC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001173097516 1384913308 /nfs/dbraw/zinc/91/33/08/1384913308.db2.gz FRCYSSJDOMNNBZ-UHFFFAOYSA-N 2 2 346.519 3.032 20 0 EGADLP CCc1ccc(C[C@@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001173242046 1384943816 /nfs/dbraw/zinc/94/38/16/1384943816.db2.gz COJWKCPEKMSCJL-QGZVFWFLSA-N 2 2 338.499 3.409 20 0 EGADLP CC[C@H]1CC[C@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001173280154 1384950296 /nfs/dbraw/zinc/95/02/96/1384950296.db2.gz SVRQLOXQMVYGAR-ROUUACIJSA-N 2 2 329.488 3.332 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC(n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001173624428 1384990469 /nfs/dbraw/zinc/99/04/69/1384990469.db2.gz XQNDZVNFCCZIKS-HITAIPBASA-N 2 2 331.460 3.035 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173624102 1384990501 /nfs/dbraw/zinc/99/05/01/1384990501.db2.gz XPQNDBRSAGBNFW-SJORKVTESA-N 2 2 327.428 3.084 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173629907 1384991910 /nfs/dbraw/zinc/99/19/10/1384991910.db2.gz CXXMCUWBTMQNHG-HOTGVXAUSA-N 2 2 348.462 3.197 20 0 EGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCc1ccccc1 ZINC001317481624 1385177704 /nfs/dbraw/zinc/17/77/04/1385177704.db2.gz KOAXZYQZUDSLPA-UHFFFAOYSA-N 2 2 339.483 3.301 20 0 EGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCc1ccccc1 ZINC001317481624 1385177705 /nfs/dbraw/zinc/17/77/05/1385177705.db2.gz KOAXZYQZUDSLPA-UHFFFAOYSA-N 2 2 339.483 3.301 20 0 EGADLP CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001175462729 1385298956 /nfs/dbraw/zinc/29/89/56/1385298956.db2.gz VWAQJNMXELMZFS-APWZRJJASA-N 2 2 342.487 3.368 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462146 1385299000 /nfs/dbraw/zinc/29/90/00/1385299000.db2.gz ROZZFQVNAOSDGJ-AWEZNQCLSA-N 2 2 348.878 3.070 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873416 1385426969 /nfs/dbraw/zinc/42/69/69/1385426969.db2.gz KOECLQZLDCZVNP-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175994014 1385455420 /nfs/dbraw/zinc/45/54/20/1385455420.db2.gz ZWUSZPCTKAQZLM-INIZCTEOSA-N 2 2 340.471 3.161 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176350808 1385560159 /nfs/dbraw/zinc/56/01/59/1385560159.db2.gz KTXJBSYRRZVGJB-UPTPFMHGSA-N 2 2 348.535 3.352 20 0 EGADLP COc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc(C)[nH+]1 ZINC001176379643 1385568539 /nfs/dbraw/zinc/56/85/39/1385568539.db2.gz JFWWHPFQUUJPOA-UHFFFAOYSA-N 2 2 327.428 3.017 20 0 EGADLP Cc1[nH+]c2ccccn2c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176379321 1385568582 /nfs/dbraw/zinc/56/85/82/1385568582.db2.gz WAXGJNRGMUTDAM-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176393193 1385574728 /nfs/dbraw/zinc/57/47/28/1385574728.db2.gz NTIFCIOMCGUPEI-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC001318006977 1385607341 /nfs/dbraw/zinc/60/73/41/1385607341.db2.gz BPACJKKIHKCUEI-MRXNPFEDSA-N 2 2 326.444 3.111 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001176829603 1385715218 /nfs/dbraw/zinc/71/52/18/1385715218.db2.gz OPCWTQWRJNZGOE-HZPDHXFCSA-N 2 2 346.450 3.048 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccccc1F ZINC001176829605 1385715576 /nfs/dbraw/zinc/71/55/76/1385715576.db2.gz OPCWTQWRJNZGOE-JKSUJKDBSA-N 2 2 346.450 3.048 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1c(C)cccc1C ZINC001318584578 1385772598 /nfs/dbraw/zinc/77/25/98/1385772598.db2.gz IIOZVTNZZNICIH-UHFFFAOYSA-N 2 2 336.395 3.210 20 0 EGADLP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001177362895 1385930123 /nfs/dbraw/zinc/93/01/23/1385930123.db2.gz ULLZGQXSRASDES-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCSc1ccccn1 ZINC001319206444 1386005097 /nfs/dbraw/zinc/00/50/97/1386005097.db2.gz RHRMSXPRHLCIGP-UHFFFAOYSA-N 2 2 339.424 3.092 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC001319554699 1386175960 /nfs/dbraw/zinc/17/59/60/1386175960.db2.gz YYNIVJMCPFLUSR-QGZVFWFLSA-N 2 2 347.466 3.332 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC001319554699 1386175965 /nfs/dbraw/zinc/17/59/65/1386175965.db2.gz YYNIVJMCPFLUSR-QGZVFWFLSA-N 2 2 347.466 3.332 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346975 1386193677 /nfs/dbraw/zinc/19/36/77/1386193677.db2.gz YVURBQCRZVBVSL-QGZVFWFLSA-N 2 2 336.524 3.291 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([C@@H](C)[NH2+]CC(C)C)C3)ccn12 ZINC001319804964 1386304594 /nfs/dbraw/zinc/30/45/94/1386304594.db2.gz FVKKQSIYWXMCQD-SJLPKXTDSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957090 1386359704 /nfs/dbraw/zinc/35/97/04/1386359704.db2.gz LROWGYKNRBJAGT-GBESFXJTSA-N 2 2 348.535 3.486 20 0 EGADLP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179244609 1386429654 /nfs/dbraw/zinc/42/96/54/1386429654.db2.gz AJUFZOXEKUTWME-LPHOPBHVSA-N 2 2 340.471 3.255 20 0 EGADLP CC(=O)c1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)nc1C ZINC001320566499 1386653119 /nfs/dbraw/zinc/65/31/19/1386653119.db2.gz LGAVBOBDOOUYET-UHFFFAOYSA-N 2 2 349.394 3.042 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC001180478236 1386809605 /nfs/dbraw/zinc/80/96/05/1386809605.db2.gz JREHTBLEDVLNRK-INIZCTEOSA-N 2 2 346.450 3.050 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC001181139562 1386943420 /nfs/dbraw/zinc/94/34/20/1386943420.db2.gz IYYWGSYHYJMRSK-UHFFFAOYSA-N 2 2 348.450 3.392 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC001181139562 1386943423 /nfs/dbraw/zinc/94/34/23/1386943423.db2.gz IYYWGSYHYJMRSK-UHFFFAOYSA-N 2 2 348.450 3.392 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nsc3ccccc23)C1 ZINC001330558650 1389454502 /nfs/dbraw/zinc/45/45/02/1389454502.db2.gz HERAIJDOCIZMQC-CQSZACIVSA-N 2 2 326.469 3.485 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001330558650 1389454505 /nfs/dbraw/zinc/45/45/05/1389454505.db2.gz HERAIJDOCIZMQC-CQSZACIVSA-N 2 2 326.469 3.485 20 0 EGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219055 1390500736 /nfs/dbraw/zinc/50/07/36/1390500736.db2.gz YOQXSTPCEQFQGW-HZPDHXFCSA-N 2 2 325.456 3.198 20 0 EGADLP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219055 1390500737 /nfs/dbraw/zinc/50/07/37/1390500737.db2.gz YOQXSTPCEQFQGW-HZPDHXFCSA-N 2 2 325.456 3.198 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629114 1390511914 /nfs/dbraw/zinc/51/19/14/1390511914.db2.gz AYCWKUOYHFXJTC-JSGCOSHPSA-N 2 2 338.521 3.077 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629114 1390511917 /nfs/dbraw/zinc/51/19/17/1390511917.db2.gz AYCWKUOYHFXJTC-JSGCOSHPSA-N 2 2 338.521 3.077 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2c(F)cccc2F)[nH+]1 ZINC001335063512 1390636915 /nfs/dbraw/zinc/63/69/15/1390636915.db2.gz ZVQZRDFNQDLYCD-WMLDXEAASA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)c2c(F)cccc2F)[nH+]1 ZINC001335063512 1390636918 /nfs/dbraw/zinc/63/69/18/1390636918.db2.gz ZVQZRDFNQDLYCD-WMLDXEAASA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH3+])(c3ccccc3)CC2)c(C)[nH+]1 ZINC001342946168 1390676493 /nfs/dbraw/zinc/67/64/93/1390676493.db2.gz DTSNXCKUMYOYLA-UHFFFAOYSA-N 2 2 337.467 3.140 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccccc1 ZINC001346122434 1390909314 /nfs/dbraw/zinc/90/93/14/1390909314.db2.gz IYEHFDQLLFCIAN-OALUTQOASA-N 2 2 339.414 3.166 20 0 EGADLP COCCc1ncc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001352838309 1391858180 /nfs/dbraw/zinc/85/81/80/1391858180.db2.gz AEKCHXWCVJVEES-OAHLLOKOSA-N 2 2 346.500 3.112 20 0 EGADLP COCCc1ncc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001352838309 1391858185 /nfs/dbraw/zinc/85/81/85/1391858185.db2.gz AEKCHXWCVJVEES-OAHLLOKOSA-N 2 2 346.500 3.112 20 0 EGADLP [NH3+]C[C@@H](C(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCCCC1 ZINC001354684181 1392160982 /nfs/dbraw/zinc/16/09/82/1392160982.db2.gz WQCUDOCSHNTZPS-GOSISDBHSA-N 2 2 344.503 3.030 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001479956046 1392493017 /nfs/dbraw/zinc/49/30/17/1392493017.db2.gz ORKPTLOUZVOLNE-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001479956046 1392493018 /nfs/dbraw/zinc/49/30/18/1392493018.db2.gz ORKPTLOUZVOLNE-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP CCCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001479994528 1392526006 /nfs/dbraw/zinc/52/60/06/1392526006.db2.gz SFWWJVDTDJLKSD-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H](CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001490419026 1394220318 /nfs/dbraw/zinc/22/03/18/1394220318.db2.gz XPNYNHFWOPUFHT-KRWDZBQOSA-N 2 2 346.519 3.337 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690094879 1404296214 /nfs/dbraw/zinc/29/62/14/1404296214.db2.gz XAPWKTQWQWBQMP-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690094879 1404296217 /nfs/dbraw/zinc/29/62/17/1404296217.db2.gz XAPWKTQWQWBQMP-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691969341 1405685992 /nfs/dbraw/zinc/68/59/92/1405685992.db2.gz XICFIRYOXYVCOQ-QGZVFWFLSA-N 2 2 342.487 3.164 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691969341 1405685996 /nfs/dbraw/zinc/68/59/96/1405685996.db2.gz XICFIRYOXYVCOQ-QGZVFWFLSA-N 2 2 342.487 3.164 20 0 EGADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccc(Cl)cc1 ZINC001732150420 1428394256 /nfs/dbraw/zinc/39/42/56/1428394256.db2.gz XIGAJJMZRXUJIH-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccc(Cl)cc1 ZINC001732150420 1428394259 /nfs/dbraw/zinc/39/42/59/1428394259.db2.gz XIGAJJMZRXUJIH-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccc(Cl)cc1 ZINC001732150420 1428394262 /nfs/dbraw/zinc/39/42/62/1428394262.db2.gz XIGAJJMZRXUJIH-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccc(Cl)cc1 ZINC001732150420 1428394263 /nfs/dbraw/zinc/39/42/63/1428394263.db2.gz XIGAJJMZRXUJIH-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@H](C[N@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447913 1412783502 /nfs/dbraw/zinc/78/35/02/1412783502.db2.gz SFJTURLMBNTRGX-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447913 1412783506 /nfs/dbraw/zinc/78/35/06/1412783506.db2.gz SFJTURLMBNTRGX-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447913 1412783511 /nfs/dbraw/zinc/78/35/11/1412783511.db2.gz SFJTURLMBNTRGX-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447913 1412783513 /nfs/dbraw/zinc/78/35/13/1412783513.db2.gz SFJTURLMBNTRGX-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]Cc4ccc(C)cc4)CC3)ccn12 ZINC001699652143 1413034309 /nfs/dbraw/zinc/03/43/09/1413034309.db2.gz WOKDVGBSZUZWJV-UHFFFAOYSA-N 2 2 348.450 3.003 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CCC([NH2+]C/C=C\Cl)CC1 ZINC001700437742 1414006549 /nfs/dbraw/zinc/00/65/49/1414006549.db2.gz PUENLDGQPQBCBH-KMKOMSMNSA-N 2 2 346.862 3.060 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001700462824 1414063974 /nfs/dbraw/zinc/06/39/74/1414063974.db2.gz FUEBTFDBOOYGHZ-HOTGVXAUSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001700462824 1414063976 /nfs/dbraw/zinc/06/39/76/1414063976.db2.gz FUEBTFDBOOYGHZ-HOTGVXAUSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001700487173 1414134490 /nfs/dbraw/zinc/13/44/90/1414134490.db2.gz OMXDBOOHDGBWMD-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001700487173 1414134493 /nfs/dbraw/zinc/13/44/93/1414134493.db2.gz OMXDBOOHDGBWMD-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732628886 1428891655 /nfs/dbraw/zinc/89/16/55/1428891655.db2.gz KWQGRSDTAYEQLU-PKOBYXMFSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001732698499 1428915148 /nfs/dbraw/zinc/91/51/48/1428915148.db2.gz ODWRSCRQLOVXTR-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001732698499 1428915150 /nfs/dbraw/zinc/91/51/50/1428915150.db2.gz ODWRSCRQLOVXTR-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC001713493726 1418196645 /nfs/dbraw/zinc/19/66/45/1418196645.db2.gz RXGPAMNOOZHRQW-HOTGVXAUSA-N 2 2 346.450 3.173 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC001713493726 1418196647 /nfs/dbraw/zinc/19/66/47/1418196647.db2.gz RXGPAMNOOZHRQW-HOTGVXAUSA-N 2 2 346.450 3.173 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001713973721 1418753034 /nfs/dbraw/zinc/75/30/34/1418753034.db2.gz RAAOOOLZZFCADK-ALOPSCKCSA-N 2 2 346.519 3.199 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001713973721 1418753037 /nfs/dbraw/zinc/75/30/37/1418753037.db2.gz RAAOOOLZZFCADK-ALOPSCKCSA-N 2 2 346.519 3.199 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001714813054 1419523826 /nfs/dbraw/zinc/52/38/26/1419523826.db2.gz FTSJGOWPPWLDJZ-HNNXBMFYSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]C/C=C\Cl)CCCC2)c(C)[nH+]1 ZINC001715302351 1420009931 /nfs/dbraw/zinc/00/99/31/1420009931.db2.gz GUVKGNVUDLPELP-TWGQIWQCSA-N 2 2 335.879 3.392 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001715338231 1420041907 /nfs/dbraw/zinc/04/19/07/1420041907.db2.gz JRILYWQCAASDNU-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001715338231 1420041910 /nfs/dbraw/zinc/04/19/10/1420041910.db2.gz JRILYWQCAASDNU-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CCCC1 ZINC001715498526 1420180583 /nfs/dbraw/zinc/18/05/83/1420180583.db2.gz RZSFROQPWGFCLN-QGZVFWFLSA-N 2 2 342.487 3.259 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001715978866 1420438576 /nfs/dbraw/zinc/43/85/76/1420438576.db2.gz WPTHLSIVJINROT-INIZCTEOSA-N 2 2 342.487 3.227 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001715978866 1420438579 /nfs/dbraw/zinc/43/85/79/1420438579.db2.gz WPTHLSIVJINROT-INIZCTEOSA-N 2 2 342.487 3.227 20 0 EGADLP C[C@@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@H+](CCC2CC2)C1 ZINC001733463467 1429693100 /nfs/dbraw/zinc/69/31/00/1429693100.db2.gz PWRYZGJAHVLOAZ-FQEVSTJZSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@@H+](CCC2CC2)C1 ZINC001733463467 1429693101 /nfs/dbraw/zinc/69/31/01/1429693101.db2.gz PWRYZGJAHVLOAZ-FQEVSTJZSA-N 2 2 340.471 3.195 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001724007008 1424626391 /nfs/dbraw/zinc/62/63/91/1424626391.db2.gz YVHLPUGATWICFE-UHFFFAOYSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001724007008 1424626395 /nfs/dbraw/zinc/62/63/95/1424626395.db2.gz YVHLPUGATWICFE-UHFFFAOYSA-N 2 2 334.508 3.139 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001724016192 1424630002 /nfs/dbraw/zinc/63/00/02/1424630002.db2.gz KXOKPVUDWZHFBF-KRWDZBQOSA-N 2 2 340.471 3.074 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001731347623 1427285233 /nfs/dbraw/zinc/28/52/33/1427285233.db2.gz OOIBKCNYUIGRKL-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001731347623 1427285235 /nfs/dbraw/zinc/28/52/35/1427285235.db2.gz OOIBKCNYUIGRKL-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001731350721 1427289381 /nfs/dbraw/zinc/28/93/81/1427289381.db2.gz LCESRNHZUFABIQ-QGZVFWFLSA-N 2 2 346.519 3.337 20 0 EGADLP O=C(NC[C@H]([NH2+]CC1CCCCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001731400040 1427359711 /nfs/dbraw/zinc/35/97/11/1427359711.db2.gz UFNCTLVXRJZXNS-KRWDZBQOSA-N 2 2 340.471 3.013 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001731415282 1427384915 /nfs/dbraw/zinc/38/49/15/1427384915.db2.gz VJAMHLAKGXYLLY-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001731415282 1427384922 /nfs/dbraw/zinc/38/49/22/1427384922.db2.gz VJAMHLAKGXYLLY-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001731415282 1427384926 /nfs/dbraw/zinc/38/49/26/1427384926.db2.gz VJAMHLAKGXYLLY-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001731415282 1427384928 /nfs/dbraw/zinc/38/49/28/1427384928.db2.gz VJAMHLAKGXYLLY-KRWDZBQOSA-N 2 2 348.535 3.339 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001731465034 1427442149 /nfs/dbraw/zinc/44/21/49/1427442149.db2.gz VVJSHXWIBYXQJL-YQQQUEKLSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001731465034 1427442151 /nfs/dbraw/zinc/44/21/51/1427442151.db2.gz VVJSHXWIBYXQJL-YQQQUEKLSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001731465034 1427442152 /nfs/dbraw/zinc/44/21/52/1427442152.db2.gz VVJSHXWIBYXQJL-YQQQUEKLSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001731465034 1427442153 /nfs/dbraw/zinc/44/21/53/1427442153.db2.gz VVJSHXWIBYXQJL-YQQQUEKLSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001731538814 1427540848 /nfs/dbraw/zinc/54/08/48/1427540848.db2.gz NXRLPBKNHBWOBF-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001731538814 1427540852 /nfs/dbraw/zinc/54/08/52/1427540852.db2.gz NXRLPBKNHBWOBF-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734335470 1438057691 /nfs/dbraw/zinc/05/76/91/1438057691.db2.gz WITSYOQBHKKMAI-GJZGRUSLSA-N 2 2 330.476 3.295 20 0 EGADLP CC(C)[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001734567264 1438162309 /nfs/dbraw/zinc/16/23/09/1438162309.db2.gz MCXULBFFZKUXAD-KRWDZBQOSA-N 2 2 328.460 3.015 20 0 EGADLP C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752159801 1440148711 /nfs/dbraw/zinc/14/87/11/1440148711.db2.gz UAUMHRRYQWOKSF-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752515160 1440191038 /nfs/dbraw/zinc/19/10/38/1440191038.db2.gz XMOSKSBBKWKLTK-SFHVURJKSA-N 2 2 346.519 3.063 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752515160 1440191039 /nfs/dbraw/zinc/19/10/39/1440191039.db2.gz XMOSKSBBKWKLTK-SFHVURJKSA-N 2 2 346.519 3.063 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783264 1440209816 /nfs/dbraw/zinc/20/98/16/1440209816.db2.gz WZGCDJJQIVNHIR-QZTJIDSGSA-N 2 2 334.508 3.099 20 0 EGADLP CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783264 1440209817 /nfs/dbraw/zinc/20/98/17/1440209817.db2.gz WZGCDJJQIVNHIR-QZTJIDSGSA-N 2 2 334.508 3.099 20 0 EGADLP C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752997022 1440262418 /nfs/dbraw/zinc/26/24/18/1440262418.db2.gz KUVBCPRHXDXIAR-HNNXBMFYSA-N 2 2 334.508 3.046 20 0 EGADLP C[N@@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752997022 1440262419 /nfs/dbraw/zinc/26/24/19/1440262419.db2.gz KUVBCPRHXDXIAR-HNNXBMFYSA-N 2 2 334.508 3.046 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001753561793 1440437103 /nfs/dbraw/zinc/43/71/03/1440437103.db2.gz ASLZWYUFLRGNGZ-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCC(C)(C)C ZINC001753841128 1440502724 /nfs/dbraw/zinc/50/27/24/1440502724.db2.gz SRTPYSLKDAOYLQ-ZACQAIPSSA-N 2 2 348.535 3.080 20 0 EGADLP CN(CC[N@H+](C)C/C=C\c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001753858222 1440510124 /nfs/dbraw/zinc/51/01/24/1440510124.db2.gz RPKBINAUGLGVKY-YFHOEESVSA-N 2 2 348.450 3.052 20 0 EGADLP CN(CC[N@@H+](C)C/C=C\c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001753858222 1440510125 /nfs/dbraw/zinc/51/01/25/1440510125.db2.gz RPKBINAUGLGVKY-YFHOEESVSA-N 2 2 348.450 3.052 20 0 EGADLP CC1CCC(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CC1 ZINC001754518391 1440619086 /nfs/dbraw/zinc/61/90/86/1440619086.db2.gz UYIARRMDRIXBRN-UHFFFAOYSA-N 2 2 340.471 3.241 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001754525817 1440620974 /nfs/dbraw/zinc/62/09/74/1440620974.db2.gz FZSSRVJLZFBLGW-UHFFFAOYSA-N 2 2 340.471 3.161 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1)n1cc[nH+]c1 ZINC001754698144 1440667444 /nfs/dbraw/zinc/66/74/44/1440667444.db2.gz JMJHUPGFCIFSMZ-ICSRJNTNSA-N 2 2 346.519 3.099 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871833 1440705345 /nfs/dbraw/zinc/70/53/45/1440705345.db2.gz MVIQKCMCHLJJMH-RTBURBONSA-N 2 2 346.519 3.309 20 0 EGADLP CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871833 1440705346 /nfs/dbraw/zinc/70/53/46/1440705346.db2.gz MVIQKCMCHLJJMH-RTBURBONSA-N 2 2 346.519 3.309 20 0 EGADLP CC1CC(C[NH2+]CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001754920817 1440709390 /nfs/dbraw/zinc/70/93/90/1440709390.db2.gz JMMOBFTZUWMWSJ-PCKAHOCUSA-N 2 2 340.471 3.051 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001754944774 1440712437 /nfs/dbraw/zinc/71/24/37/1440712437.db2.gz KWVYDTXVDYCZRX-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046607 1440741409 /nfs/dbraw/zinc/74/14/09/1440741409.db2.gz GEJXVYDNCMVVKV-QZTJIDSGSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046607 1440741410 /nfs/dbraw/zinc/74/14/10/1440741410.db2.gz GEJXVYDNCMVVKV-QZTJIDSGSA-N 2 2 346.519 3.093 20 0 EGADLP CCC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001755382459 1440839731 /nfs/dbraw/zinc/83/97/31/1440839731.db2.gz OMJLZEFLNGKDPJ-SQRWCISFSA-N 2 2 340.471 3.131 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412927 1440847074 /nfs/dbraw/zinc/84/70/74/1440847074.db2.gz SPWIIVNVCLJYJY-QZTJIDSGSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412927 1440847075 /nfs/dbraw/zinc/84/70/75/1440847075.db2.gz SPWIIVNVCLJYJY-QZTJIDSGSA-N 2 2 346.519 3.097 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CCCC2CCCC2)c[nH+]1 ZINC001755592580 1440881796 /nfs/dbraw/zinc/88/17/96/1440881796.db2.gz HOORODZQLYYJMM-MRXNPFEDSA-N 2 2 348.535 3.334 20 0 EGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1=CCCCC1 ZINC001755593376 1440882018 /nfs/dbraw/zinc/88/20/18/1440882018.db2.gz WLDGLIBPNLWQAB-CQSZACIVSA-N 2 2 326.444 3.113 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001755610826 1440886988 /nfs/dbraw/zinc/88/69/88/1440886988.db2.gz JFDINYPRWDGGEL-XJKSGUPXSA-N 2 2 348.878 3.193 20 0 EGADLP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001755711437 1440903731 /nfs/dbraw/zinc/90/37/31/1440903731.db2.gz GOLLVJWAESGQTP-GUDVDZBRSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001755862523 1440936989 /nfs/dbraw/zinc/93/69/89/1440936989.db2.gz NCSVJJWPMGZCJW-DMKPSLHHSA-N 2 2 344.503 3.058 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001755862523 1440936990 /nfs/dbraw/zinc/93/69/90/1440936990.db2.gz NCSVJJWPMGZCJW-DMKPSLHHSA-N 2 2 344.503 3.058 20 0 EGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810057 720122958 /nfs/dbraw/zinc/12/29/58/720122958.db2.gz JLPTYXHCBVTAPS-TZIWHRDSSA-N 2 2 343.515 3.390 20 0 EGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810057 720122966 /nfs/dbraw/zinc/12/29/66/720122966.db2.gz JLPTYXHCBVTAPS-TZIWHRDSSA-N 2 2 343.515 3.390 20 0 EGADLP COc1ccc2c(C)cc(N3CC4(C3)CC[N@H+](CC3CC3)C4)[nH+]c2c1 ZINC001164770891 721292546 /nfs/dbraw/zinc/29/25/46/721292546.db2.gz XCKXIZOBRMAPSQ-UHFFFAOYSA-N 2 2 337.467 3.474 20 0 EGADLP COc1ccc2c(C)cc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)[nH+]c2c1 ZINC001164770891 721292555 /nfs/dbraw/zinc/29/25/55/721292555.db2.gz XCKXIZOBRMAPSQ-UHFFFAOYSA-N 2 2 337.467 3.474 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[NH+](C4CCCC4)CC3)c2cc1OC ZINC000663383274 721856870 /nfs/dbraw/zinc/85/68/70/721856870.db2.gz YNZRGNLZZMSPPB-UHFFFAOYSA-N 2 2 341.455 3.317 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576989 168376916 /nfs/dbraw/zinc/37/69/16/168376916.db2.gz UBVKYMFPZYBNQU-NVXWUHKLSA-N 2 2 343.446 3.402 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576989 168376918 /nfs/dbraw/zinc/37/69/18/168376918.db2.gz UBVKYMFPZYBNQU-NVXWUHKLSA-N 2 2 343.446 3.402 20 0 EGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(O)ccc2Br)CC1 ZINC000368967119 168386600 /nfs/dbraw/zinc/38/66/00/168386600.db2.gz VCYHDZKFZMPKRO-UHFFFAOYSA-N 2 2 339.277 3.215 20 0 EGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(O)ccc2Br)CC1 ZINC000368967119 168386601 /nfs/dbraw/zinc/38/66/01/168386601.db2.gz VCYHDZKFZMPKRO-UHFFFAOYSA-N 2 2 339.277 3.215 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174515059 231228027 /nfs/dbraw/zinc/22/80/27/231228027.db2.gz PZOUFTMJNTXMDE-DNVCBOLYSA-N 2 2 326.488 3.121 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174515059 231228029 /nfs/dbraw/zinc/22/80/29/231228029.db2.gz PZOUFTMJNTXMDE-DNVCBOLYSA-N 2 2 326.488 3.121 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000363991313 282173975 /nfs/dbraw/zinc/17/39/75/282173975.db2.gz UTMIKDFKDSUSAF-UIAACRFSSA-N 2 2 336.483 3.067 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000363991313 282173976 /nfs/dbraw/zinc/17/39/76/282173976.db2.gz UTMIKDFKDSUSAF-UIAACRFSSA-N 2 2 336.483 3.067 20 0 EGADLP CCc1cc2c(C[NH+]3CCC([NH2+]C(C)C)CC3)cc(=O)oc2cc1O ZINC000171691886 529569785 /nfs/dbraw/zinc/56/97/85/529569785.db2.gz QIALPQOPQLBUHK-UHFFFAOYSA-N 2 2 344.455 3.023 20 0 EGADLP CN(C)c1cc[nH+]cc1CNC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000185125102 282308093 /nfs/dbraw/zinc/30/80/93/282308093.db2.gz FIKRTFNGDGAPQO-GOSISDBHSA-N 2 2 328.460 3.057 20 0 EGADLP Cc1cccn2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000102680027 219221235 /nfs/dbraw/zinc/22/12/35/219221235.db2.gz BMZPENXJXXTBSD-UHFFFAOYSA-N 2 2 334.467 3.397 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802113 215335705 /nfs/dbraw/zinc/33/57/05/215335705.db2.gz XGXHBPOVTYAWQP-XJKSGUPXSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802113 215335707 /nfs/dbraw/zinc/33/57/07/215335707.db2.gz XGXHBPOVTYAWQP-XJKSGUPXSA-N 2 2 330.303 3.280 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@@H+]1C1CC1 ZINC000184168895 235321862 /nfs/dbraw/zinc/32/18/62/235321862.db2.gz ZGRMAXCOCCJOQG-XJKSGUPXSA-N 2 2 344.434 3.023 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@H+]1C1CC1 ZINC000184168895 235321866 /nfs/dbraw/zinc/32/18/66/235321866.db2.gz ZGRMAXCOCCJOQG-XJKSGUPXSA-N 2 2 344.434 3.023 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000187083884 236113250 /nfs/dbraw/zinc/11/32/50/236113250.db2.gz YRHQDLPQMUYPLR-RDTXWAMCSA-N 2 2 340.870 3.320 20 0 EGADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000187083884 236113252 /nfs/dbraw/zinc/11/32/52/236113252.db2.gz YRHQDLPQMUYPLR-RDTXWAMCSA-N 2 2 340.870 3.320 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000108370824 219850279 /nfs/dbraw/zinc/85/02/79/219850279.db2.gz HILVEEDGIQJURY-LJQANCHMSA-N 2 2 342.483 3.042 20 0 EGADLP Fc1ccc(-n2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c(F)c1 ZINC000190269914 238347524 /nfs/dbraw/zinc/34/75/24/238347524.db2.gz BIGLZYSTDXTKEK-UHFFFAOYSA-N 2 2 343.381 3.184 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000130623701 223165953 /nfs/dbraw/zinc/16/59/53/223165953.db2.gz XIKSSBDSPLDPTJ-UHFFFAOYSA-N 2 2 337.895 3.251 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858144 216318667 /nfs/dbraw/zinc/31/86/67/216318667.db2.gz KFFCTKLPURTSCF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858144 216318670 /nfs/dbraw/zinc/31/86/70/216318670.db2.gz KFFCTKLPURTSCF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858144 216318674 /nfs/dbraw/zinc/31/86/74/216318674.db2.gz KFFCTKLPURTSCF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858144 216318676 /nfs/dbraw/zinc/31/86/76/216318676.db2.gz KFFCTKLPURTSCF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860954 216321328 /nfs/dbraw/zinc/32/13/28/216321328.db2.gz ATCGWMXFWQXILH-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860954 216321332 /nfs/dbraw/zinc/32/13/32/216321332.db2.gz ATCGWMXFWQXILH-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860954 216321334 /nfs/dbraw/zinc/32/13/34/216321334.db2.gz ATCGWMXFWQXILH-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860954 216321336 /nfs/dbraw/zinc/32/13/36/216321336.db2.gz ATCGWMXFWQXILH-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP c1cn2c(C[NH2+]Cc3c[nH+]c4n3CCCC4)c(C3CC3)nc2s1 ZINC000376718040 242070220 /nfs/dbraw/zinc/07/02/20/242070220.db2.gz VEPLDNQWCTVUOE-UHFFFAOYSA-N 2 2 327.457 3.096 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1F ZINC000246317621 243232441 /nfs/dbraw/zinc/23/24/41/243232441.db2.gz FBNAJACKTJTUEN-KBPBESRZSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1F ZINC000246317621 243232448 /nfs/dbraw/zinc/23/24/48/243232448.db2.gz FBNAJACKTJTUEN-KBPBESRZSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(Br)o1 ZINC000020186649 212110018 /nfs/dbraw/zinc/11/00/18/212110018.db2.gz MLECYMAQOUYTSB-UHFFFAOYSA-N 2 2 334.217 3.490 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1cccc(C[NH+](C)Cc2cscn2)c1 ZINC000111112893 220099720 /nfs/dbraw/zinc/09/97/20/220099720.db2.gz RBADMYZKDCOWHW-UHFFFAOYSA-N 2 2 346.500 3.054 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+](C)Cc2cscn2)c1 ZINC000111112893 220099724 /nfs/dbraw/zinc/09/97/24/220099724.db2.gz RBADMYZKDCOWHW-UHFFFAOYSA-N 2 2 346.500 3.054 20 0 EGADLP CC(C)[NH+](C)CC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000111112893 220099727 /nfs/dbraw/zinc/09/97/27/220099727.db2.gz RBADMYZKDCOWHW-UHFFFAOYSA-N 2 2 346.500 3.054 20 0 EGADLP CC(C)[NH+](C)CC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000111112893 220099730 /nfs/dbraw/zinc/09/97/30/220099730.db2.gz RBADMYZKDCOWHW-UHFFFAOYSA-N 2 2 346.500 3.054 20 0 EGADLP O=C(NCC[NH+]1CCCCC1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918273 247043836 /nfs/dbraw/zinc/04/38/36/247043836.db2.gz QGLQZBPVVJBVRI-UHFFFAOYSA-N 2 2 325.412 3.090 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000266020072 248035198 /nfs/dbraw/zinc/03/51/98/248035198.db2.gz WJLDROGNADMLIT-HNNXBMFYSA-N 2 2 337.427 3.255 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000377683276 169059618 /nfs/dbraw/zinc/05/96/18/169059618.db2.gz SDGXFMQMSJYNHJ-UHFFFAOYSA-N 2 2 331.370 3.074 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000377683276 169059619 /nfs/dbraw/zinc/05/96/19/169059619.db2.gz SDGXFMQMSJYNHJ-UHFFFAOYSA-N 2 2 331.370 3.074 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)c(F)c1 ZINC000378518976 169135358 /nfs/dbraw/zinc/13/53/58/169135358.db2.gz MMRZGQWFDNPEFV-RHSMWYFYSA-N 2 2 335.398 3.324 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253583 218130305 /nfs/dbraw/zinc/13/03/05/218130305.db2.gz MSYBPUWYBJPYQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253583 218130306 /nfs/dbraw/zinc/13/03/06/218130306.db2.gz MSYBPUWYBJPYQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092253583 218130308 /nfs/dbraw/zinc/13/03/08/218130308.db2.gz MSYBPUWYBJPYQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092253583 218130309 /nfs/dbraw/zinc/13/03/09/218130309.db2.gz MSYBPUWYBJPYQU-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CCOc1c(OC)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000092659198 218157194 /nfs/dbraw/zinc/15/71/94/218157194.db2.gz UOVOTVHFRPXZKQ-UHFFFAOYSA-N 2 2 345.443 3.136 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC(F)F ZINC000093597619 218233976 /nfs/dbraw/zinc/23/39/76/218233976.db2.gz MMCMGXDOPOTPNY-OAHLLOKOSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC(F)F ZINC000093597619 218233978 /nfs/dbraw/zinc/23/39/78/218233978.db2.gz MMCMGXDOPOTPNY-OAHLLOKOSA-N 2 2 340.414 3.214 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000093693330 218241798 /nfs/dbraw/zinc/24/17/98/218241798.db2.gz SUJDPMFDOCARQN-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093693330 218241801 /nfs/dbraw/zinc/24/18/01/218241801.db2.gz SUJDPMFDOCARQN-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093693330 218241802 /nfs/dbraw/zinc/24/18/02/218241802.db2.gz SUJDPMFDOCARQN-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000095421746 218363832 /nfs/dbraw/zinc/36/38/32/218363832.db2.gz OQDWZEUOPVYSFC-YLJYHZDGSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nnc2ccccn21 ZINC000268732277 252182860 /nfs/dbraw/zinc/18/28/60/252182860.db2.gz MTNSAZXBXLISJV-ZIFCJYIRSA-N 2 2 349.482 3.433 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nnc2ccccn21 ZINC000268732277 252182866 /nfs/dbraw/zinc/18/28/66/252182866.db2.gz MTNSAZXBXLISJV-ZIFCJYIRSA-N 2 2 349.482 3.433 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)ccc1SC ZINC000153276409 224083342 /nfs/dbraw/zinc/08/33/42/224083342.db2.gz DKTLXFKNYPPATR-GJZGRUSLSA-N 2 2 338.517 3.036 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)nnn1-c1ccc(C)cc1 ZINC000268781195 252230741 /nfs/dbraw/zinc/23/07/41/252230741.db2.gz XXLWRMRCFYFCGI-HNNXBMFYSA-N 2 2 339.487 3.162 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268795672 252248053 /nfs/dbraw/zinc/24/80/53/252248053.db2.gz FYOBMDMTENMKPY-CABCVRRESA-N 2 2 329.448 3.152 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268873718 252320293 /nfs/dbraw/zinc/32/02/93/252320293.db2.gz JPDZFRGDZSWACP-DOTOQJQBSA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268873718 252320297 /nfs/dbraw/zinc/32/02/97/252320297.db2.gz JPDZFRGDZSWACP-DOTOQJQBSA-N 2 2 342.439 3.209 20 0 EGADLP Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000153407280 224100493 /nfs/dbraw/zinc/10/04/93/224100493.db2.gz JBMQASSSKMDILO-UHFFFAOYSA-N 2 2 328.431 3.328 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000187287897 533184634 /nfs/dbraw/zinc/18/46/34/533184634.db2.gz JOHIRUGUXAZJDB-HNAYVOBHSA-N 2 2 337.467 3.472 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000187287897 533184636 /nfs/dbraw/zinc/18/46/36/533184636.db2.gz JOHIRUGUXAZJDB-HNAYVOBHSA-N 2 2 337.467 3.472 20 0 EGADLP C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000118843849 221195965 /nfs/dbraw/zinc/19/59/65/221195965.db2.gz OZMMVWJBJJQKHA-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000118843849 221195968 /nfs/dbraw/zinc/19/59/68/221195968.db2.gz OZMMVWJBJJQKHA-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000118843849 221195972 /nfs/dbraw/zinc/19/59/72/221195972.db2.gz OZMMVWJBJJQKHA-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843849 221195974 /nfs/dbraw/zinc/19/59/74/221195974.db2.gz OZMMVWJBJJQKHA-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP Cc1nc(CC[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC000118953813 221210170 /nfs/dbraw/zinc/21/01/70/221210170.db2.gz JRMCOBQVWIUFKG-UHFFFAOYSA-N 2 2 345.516 3.038 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1F ZINC000183308588 533339513 /nfs/dbraw/zinc/33/95/13/533339513.db2.gz QOPLJQHWVYWWFF-XWIAVFTESA-N 2 2 338.442 3.383 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nc(-c3cccs3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000177909485 533643436 /nfs/dbraw/zinc/64/34/36/533643436.db2.gz OFKYYHBCIYKHCY-STQMWFEESA-N 2 2 329.429 3.078 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000177909485 533643442 /nfs/dbraw/zinc/64/34/42/533643442.db2.gz OFKYYHBCIYKHCY-STQMWFEESA-N 2 2 329.429 3.078 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000341261687 141146263 /nfs/dbraw/zinc/14/62/63/141146263.db2.gz QGLOXJWNGXKTHT-JTQLQIEISA-N 2 2 329.297 3.025 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)cn2c1 ZINC000342797614 141149337 /nfs/dbraw/zinc/14/93/37/141149337.db2.gz GUQBLWPOQKTXPA-LMMKCTJWSA-N 2 2 326.488 3.480 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(F)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344514019 141167246 /nfs/dbraw/zinc/16/72/46/141167246.db2.gz BYRDFXADGCBIHU-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(F)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344514019 141167247 /nfs/dbraw/zinc/16/72/47/141167247.db2.gz BYRDFXADGCBIHU-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP C[NH+](C)[C@H](CNc1[nH+]cnc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000346210143 141181141 /nfs/dbraw/zinc/18/11/41/141181141.db2.gz HBZTVMVRRHDJLC-CQSZACIVSA-N 2 2 349.360 3.113 20 0 EGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)nn2)cc1 ZINC000346284835 141191657 /nfs/dbraw/zinc/19/16/57/141191657.db2.gz YEUXSIAAHJICDV-QGZVFWFLSA-N 2 2 338.455 3.187 20 0 EGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)nn2)cc1 ZINC000346284835 141191660 /nfs/dbraw/zinc/19/16/60/141191660.db2.gz YEUXSIAAHJICDV-QGZVFWFLSA-N 2 2 338.455 3.187 20 0 EGADLP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915908 141215899 /nfs/dbraw/zinc/21/58/99/141215899.db2.gz JSDSGJPNGVITQN-GUYCJALGSA-N 2 2 331.485 3.029 20 0 EGADLP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915908 141215902 /nfs/dbraw/zinc/21/59/02/141215902.db2.gz JSDSGJPNGVITQN-GUYCJALGSA-N 2 2 331.485 3.029 20 0 EGADLP Cc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1F ZINC000352973033 141280593 /nfs/dbraw/zinc/28/05/93/141280593.db2.gz KHBXMVFQESPRNJ-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP Cc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1F ZINC000352973033 141280595 /nfs/dbraw/zinc/28/05/95/141280595.db2.gz KHBXMVFQESPRNJ-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(Sc3ccccn3)o1)CC2 ZINC000352977002 141282104 /nfs/dbraw/zinc/28/21/04/141282104.db2.gz NAFZWWMQTWOZCP-CYBMUJFWSA-N 2 2 326.425 3.127 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000353354676 141293761 /nfs/dbraw/zinc/29/37/61/141293761.db2.gz PZVHEKBPJYHLQK-RXVVDRJESA-N 2 2 340.515 3.334 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000353354676 141293763 /nfs/dbraw/zinc/29/37/63/141293763.db2.gz PZVHEKBPJYHLQK-RXVVDRJESA-N 2 2 340.515 3.334 20 0 EGADLP CCOC(=O)c1coc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000353462585 141302478 /nfs/dbraw/zinc/30/24/78/141302478.db2.gz VCHOIVGKTLGWOR-KRWDZBQOSA-N 2 2 348.487 3.400 20 0 EGADLP CCOC(=O)c1coc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000353462585 141302480 /nfs/dbraw/zinc/30/24/80/141302480.db2.gz VCHOIVGKTLGWOR-KRWDZBQOSA-N 2 2 348.487 3.400 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)[NH+]2CCCC2)c1 ZINC000356850502 141354641 /nfs/dbraw/zinc/35/46/41/141354641.db2.gz QPQBINJUEMCIML-HQRMLTQVSA-N 2 2 332.488 3.237 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)cc2)cs1 ZINC000356857144 141355197 /nfs/dbraw/zinc/35/51/97/141355197.db2.gz AVNCJKVNIDTANY-INIZCTEOSA-N 2 2 343.496 3.357 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)cc2)cs1 ZINC000356857144 141355201 /nfs/dbraw/zinc/35/52/01/141355201.db2.gz AVNCJKVNIDTANY-INIZCTEOSA-N 2 2 343.496 3.357 20 0 EGADLP C[C@@H](CCCC(F)(F)F)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000359638563 141394732 /nfs/dbraw/zinc/39/47/32/141394732.db2.gz SYYJJFMFJHAIDK-ZDUSSCGKSA-N 2 2 330.398 3.366 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000173615560 144045426 /nfs/dbraw/zinc/04/54/26/144045426.db2.gz GBEFTLNUWYHEFW-AWEZNQCLSA-N 2 2 337.895 3.438 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000178413439 144070985 /nfs/dbraw/zinc/07/09/85/144070985.db2.gz UXGLZTJTMUHSNG-CQSZACIVSA-N 2 2 347.894 3.366 20 0 EGADLP OCC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCCC1 ZINC000186481515 144135138 /nfs/dbraw/zinc/13/51/38/144135138.db2.gz HXMJKKNYWDTGCU-UHFFFAOYSA-N 2 2 336.907 3.447 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000186775791 144142871 /nfs/dbraw/zinc/14/28/71/144142871.db2.gz JTEBMDHRBOTKSB-RVKKMQEKSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000186775791 144142872 /nfs/dbraw/zinc/14/28/72/144142872.db2.gz JTEBMDHRBOTKSB-RVKKMQEKSA-N 2 2 344.528 3.450 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@@H+]1C ZINC000344624502 144201357 /nfs/dbraw/zinc/20/13/57/144201357.db2.gz IXUGBKKYTPRGDI-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624502 144201358 /nfs/dbraw/zinc/20/13/58/144201358.db2.gz IXUGBKKYTPRGDI-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344647559 144204926 /nfs/dbraw/zinc/20/49/26/144204926.db2.gz XILVLFRWXNUPKQ-JXFKEZNVSA-N 2 2 340.515 3.429 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344647559 144204927 /nfs/dbraw/zinc/20/49/27/144204927.db2.gz XILVLFRWXNUPKQ-JXFKEZNVSA-N 2 2 340.515 3.429 20 0 EGADLP COc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Br ZINC000344690250 144210269 /nfs/dbraw/zinc/21/02/69/144210269.db2.gz WTOUVKZBINKFAY-NXEZZACHSA-N 2 2 333.295 3.092 20 0 EGADLP COc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000344690250 144210270 /nfs/dbraw/zinc/21/02/70/144210270.db2.gz WTOUVKZBINKFAY-NXEZZACHSA-N 2 2 333.295 3.092 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444907 144265270 /nfs/dbraw/zinc/26/52/70/144265270.db2.gz QBYWIKQUUDJLRR-NRFANRHFSA-N 2 2 342.458 3.283 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444907 144265273 /nfs/dbraw/zinc/26/52/73/144265273.db2.gz QBYWIKQUUDJLRR-NRFANRHFSA-N 2 2 342.458 3.283 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444907 144265274 /nfs/dbraw/zinc/26/52/74/144265274.db2.gz QBYWIKQUUDJLRR-NRFANRHFSA-N 2 2 342.458 3.283 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444907 144265276 /nfs/dbraw/zinc/26/52/76/144265276.db2.gz QBYWIKQUUDJLRR-NRFANRHFSA-N 2 2 342.458 3.283 20 0 EGADLP c1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)n(-c2ccccc2)n1 ZINC000351551096 144278153 /nfs/dbraw/zinc/27/81/53/144278153.db2.gz SFKHFHFIXGJBLY-UHFFFAOYSA-N 2 2 330.395 3.124 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000351604803 144286714 /nfs/dbraw/zinc/28/67/14/144286714.db2.gz WSDNLHWWABSSPI-QGZVFWFLSA-N 2 2 344.478 3.402 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000351604803 144286716 /nfs/dbraw/zinc/28/67/16/144286716.db2.gz WSDNLHWWABSSPI-QGZVFWFLSA-N 2 2 344.478 3.402 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000351604803 144286718 /nfs/dbraw/zinc/28/67/18/144286718.db2.gz WSDNLHWWABSSPI-QGZVFWFLSA-N 2 2 344.478 3.402 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351604803 144286720 /nfs/dbraw/zinc/28/67/20/144286720.db2.gz WSDNLHWWABSSPI-QGZVFWFLSA-N 2 2 344.478 3.402 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865842 144317958 /nfs/dbraw/zinc/31/79/58/144317958.db2.gz PDFPVGSMSOJBDW-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865842 144317960 /nfs/dbraw/zinc/31/79/60/144317960.db2.gz PDFPVGSMSOJBDW-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000361678942 144348909 /nfs/dbraw/zinc/34/89/09/144348909.db2.gz RXQWTIFNIBBQBR-OTWHNJEPSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000361678942 144348910 /nfs/dbraw/zinc/34/89/10/144348910.db2.gz RXQWTIFNIBBQBR-OTWHNJEPSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000361678942 144348911 /nfs/dbraw/zinc/34/89/11/144348911.db2.gz RXQWTIFNIBBQBR-OTWHNJEPSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000361678942 144348912 /nfs/dbraw/zinc/34/89/12/144348912.db2.gz RXQWTIFNIBBQBR-OTWHNJEPSA-N 2 2 343.515 3.355 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000363950253 144378729 /nfs/dbraw/zinc/37/87/29/144378729.db2.gz CYKWPEYYHMAYIY-IEZWGBDMSA-N 2 2 332.488 3.378 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000363950253 144378731 /nfs/dbraw/zinc/37/87/31/144378731.db2.gz CYKWPEYYHMAYIY-IEZWGBDMSA-N 2 2 332.488 3.378 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000414848740 309105374 /nfs/dbraw/zinc/10/53/74/309105374.db2.gz XEASOSYTMSCEOK-INIZCTEOSA-N 3 2 335.923 3.284 20 0 EGADLP O=C(NCCCCC[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117661417 152111272 /nfs/dbraw/zinc/11/12/72/152111272.db2.gz HFNXFFZSLHCZAW-UHFFFAOYSA-N 2 2 340.471 3.258 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2)n1 ZINC000119303341 152192882 /nfs/dbraw/zinc/19/28/82/152192882.db2.gz YTCLIEOVXWAUSF-YOEHRIQHSA-N 2 2 340.471 3.056 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2)n1 ZINC000119303341 152192885 /nfs/dbraw/zinc/19/28/85/152192885.db2.gz YTCLIEOVXWAUSF-YOEHRIQHSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1noc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)n1 ZINC000191959377 153234593 /nfs/dbraw/zinc/23/45/93/153234593.db2.gz KQOZUAXIYUTNJC-UHFFFAOYSA-N 2 2 337.427 3.252 20 0 EGADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1 ZINC000193277306 153285157 /nfs/dbraw/zinc/28/51/57/153285157.db2.gz NGCQXJICYFEMND-QGZVFWFLSA-N 2 2 342.830 3.398 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000302066239 154025612 /nfs/dbraw/zinc/02/56/12/154025612.db2.gz FROTXCCWLVEPMV-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000302066239 154025614 /nfs/dbraw/zinc/02/56/14/154025614.db2.gz FROTXCCWLVEPMV-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000303990802 154063174 /nfs/dbraw/zinc/06/31/74/154063174.db2.gz VJWGRPLYCLLEDT-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000303990802 154063176 /nfs/dbraw/zinc/06/31/76/154063176.db2.gz VJWGRPLYCLLEDT-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2cccs2)C1 ZINC000304945988 154078418 /nfs/dbraw/zinc/07/84/18/154078418.db2.gz CZUKXYVRDAUXIR-SZVBFZGTSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2cccs2)C1 ZINC000304945988 154078421 /nfs/dbraw/zinc/07/84/21/154078421.db2.gz CZUKXYVRDAUXIR-SZVBFZGTSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305195293 154089500 /nfs/dbraw/zinc/08/95/00/154089500.db2.gz ZCYXPBVFNXQVGQ-OALUTQOASA-N 2 2 336.907 3.445 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000305720527 154111350 /nfs/dbraw/zinc/11/13/50/154111350.db2.gz IFWIOWWRCWFSMO-RWQQGDIJSA-N 2 2 328.456 3.344 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000305720527 154111357 /nfs/dbraw/zinc/11/13/57/154111357.db2.gz IFWIOWWRCWFSMO-RWQQGDIJSA-N 2 2 328.456 3.344 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCCC23CCOCC3)[nH+]1 ZINC000337394906 154331946 /nfs/dbraw/zinc/33/19/46/154331946.db2.gz PBNZDSJCFYCJFS-LJQANCHMSA-N 2 2 339.483 3.413 20 0 EGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000337495185 154381831 /nfs/dbraw/zinc/38/18/31/154381831.db2.gz YATUQYRCKAXVIB-OALUTQOASA-N 2 2 338.536 3.064 20 0 EGADLP CCC[N@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000347007990 156244435 /nfs/dbraw/zinc/24/44/35/156244435.db2.gz DUTBCHOXOIRCLZ-AWEZNQCLSA-N 2 2 326.868 3.321 20 0 EGADLP CCC[N@@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000347007990 156244437 /nfs/dbraw/zinc/24/44/37/156244437.db2.gz DUTBCHOXOIRCLZ-AWEZNQCLSA-N 2 2 326.868 3.321 20 0 EGADLP CSC1(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000356173044 156601148 /nfs/dbraw/zinc/60/11/48/156601148.db2.gz GDNAXMNDCUAWPC-UHFFFAOYSA-N 2 2 333.545 3.074 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1O ZINC000362084082 157014070 /nfs/dbraw/zinc/01/40/70/157014070.db2.gz AGFLEIRZQCGNOG-MRXNPFEDSA-N 2 2 327.428 3.181 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000372817193 157391221 /nfs/dbraw/zinc/39/12/21/157391221.db2.gz YAUSGOQSSNUHLS-IBGZPJMESA-N 2 2 325.456 3.429 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000125529043 162275194 /nfs/dbraw/zinc/27/51/94/162275194.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000125529043 162275195 /nfs/dbraw/zinc/27/51/95/162275195.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000125529043 162275197 /nfs/dbraw/zinc/27/51/97/162275197.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000125529043 162275199 /nfs/dbraw/zinc/27/51/99/162275199.db2.gz HPSHPEBCRNMBCB-YPAWHYETSA-N 3 2 341.543 3.457 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140329 162391693 /nfs/dbraw/zinc/39/16/93/162391693.db2.gz IHMQGAJMJUYQIK-KCXAZCMYSA-N 2 2 330.394 3.465 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140329 162391698 /nfs/dbraw/zinc/39/16/98/162391698.db2.gz IHMQGAJMJUYQIK-KCXAZCMYSA-N 2 2 330.394 3.465 20 0 EGADLP C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248555513 163013305 /nfs/dbraw/zinc/01/33/05/163013305.db2.gz KOMRUEKRMYBQJX-SJLPKXTDSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248555513 163013306 /nfs/dbraw/zinc/01/33/06/163013306.db2.gz KOMRUEKRMYBQJX-SJLPKXTDSA-N 2 2 346.519 3.051 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272692 163190297 /nfs/dbraw/zinc/19/02/97/163190297.db2.gz OPHHNWXYTYXKPH-QUCCMNQESA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272692 163190300 /nfs/dbraw/zinc/19/03/00/163190300.db2.gz OPHHNWXYTYXKPH-QUCCMNQESA-N 2 2 345.531 3.450 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211173 /nfs/dbraw/zinc/21/11/73/163211173.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211176 /nfs/dbraw/zinc/21/11/76/163211176.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211177 /nfs/dbraw/zinc/21/11/77/163211177.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327934 163211179 /nfs/dbraw/zinc/21/11/79/163211179.db2.gz PJEOKHDDNKWWDR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccn1 ZINC000338332295 163214613 /nfs/dbraw/zinc/21/46/13/163214613.db2.gz JFSDBUBTDDLXBV-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccn1 ZINC000338332295 163214616 /nfs/dbraw/zinc/21/46/16/163214616.db2.gz JFSDBUBTDDLXBV-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP [NH3+]CC1CCC(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000343644640 164002382 /nfs/dbraw/zinc/00/23/82/164002382.db2.gz CJXMRMBICXPGPD-UHFFFAOYSA-N 2 2 339.439 3.369 20 0 EGADLP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000343761883 164029375 /nfs/dbraw/zinc/02/93/75/164029375.db2.gz ILZUGPYBWZIAOK-YLJYHZDGSA-N 2 2 327.516 3.428 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C12CCCCC2 ZINC000344069380 164096404 /nfs/dbraw/zinc/09/64/04/164096404.db2.gz HTEBZJDJKHOQMJ-BRWVUGGUSA-N 2 2 326.550 3.141 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000344269558 164142910 /nfs/dbraw/zinc/14/29/10/164142910.db2.gz KFQGKUFTMFVZEW-QGZVFWFLSA-N 2 2 340.471 3.175 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000344269558 164142911 /nfs/dbraw/zinc/14/29/11/164142911.db2.gz KFQGKUFTMFVZEW-QGZVFWFLSA-N 2 2 340.471 3.175 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000345685402 164242436 /nfs/dbraw/zinc/24/24/36/164242436.db2.gz QZOWWHMBDMBENU-HXUWFJFHSA-N 2 2 346.434 3.475 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000345685402 164242438 /nfs/dbraw/zinc/24/24/38/164242438.db2.gz QZOWWHMBDMBENU-HXUWFJFHSA-N 2 2 346.434 3.475 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)c4ncccc4c3)CC2)c1 ZINC000346139873 164347309 /nfs/dbraw/zinc/34/73/09/164347309.db2.gz LSFPQLXBIIFQQO-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP c1csc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000346335312 164370419 /nfs/dbraw/zinc/37/04/19/164370419.db2.gz LNNCHPMPJMWHFG-UHFFFAOYSA-N 2 2 337.452 3.419 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346556607 164396338 /nfs/dbraw/zinc/39/63/38/164396338.db2.gz LTIJSGQPCXDPER-ZHALLVOQSA-N 2 2 328.435 3.168 20 0 EGADLP CCN(CCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058764 166095876 /nfs/dbraw/zinc/09/58/76/166095876.db2.gz ONOBSRUYJULEGU-GJZGRUSLSA-N 2 2 332.414 3.040 20 0 EGADLP CCN(CCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058764 166095877 /nfs/dbraw/zinc/09/58/77/166095877.db2.gz ONOBSRUYJULEGU-GJZGRUSLSA-N 2 2 332.414 3.040 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000355209068 166134073 /nfs/dbraw/zinc/13/40/73/166134073.db2.gz JOHXLAOYUCBBNX-WMZOPIPTSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000355209068 166134074 /nfs/dbraw/zinc/13/40/74/166134074.db2.gz JOHXLAOYUCBBNX-WMZOPIPTSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1OC(C)C ZINC000355209068 166134076 /nfs/dbraw/zinc/13/40/76/166134076.db2.gz JOHXLAOYUCBBNX-WMZOPIPTSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1OC(C)C ZINC000355209068 166134077 /nfs/dbraw/zinc/13/40/77/166134077.db2.gz JOHXLAOYUCBBNX-WMZOPIPTSA-N 2 2 332.488 3.399 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355267223 166150523 /nfs/dbraw/zinc/15/05/23/166150523.db2.gz RHMUQLAARDRFPX-RDJZCZTQSA-N 2 2 329.444 3.374 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355267223 166150525 /nfs/dbraw/zinc/15/05/25/166150525.db2.gz RHMUQLAARDRFPX-RDJZCZTQSA-N 2 2 329.444 3.374 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000359659459 167203413 /nfs/dbraw/zinc/20/34/13/167203413.db2.gz VCODDWBSCPJMBE-LPHOPBHVSA-N 2 2 331.504 3.106 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360331038 167304356 /nfs/dbraw/zinc/30/43/56/167304356.db2.gz YEJVHJDGJOORSP-WSTZPKSXSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360331038 167304358 /nfs/dbraw/zinc/30/43/58/167304358.db2.gz YEJVHJDGJOORSP-WSTZPKSXSA-N 2 2 345.531 3.037 20 0 EGADLP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000360335840 167305686 /nfs/dbraw/zinc/30/56/86/167305686.db2.gz HZAPUDXJYNXMDV-PKOBYXMFSA-N 2 2 335.451 3.374 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360546931 167354589 /nfs/dbraw/zinc/35/45/89/167354589.db2.gz PELPCBKPDVSGOK-FPOVZHCZSA-N 2 2 335.451 3.052 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360546931 167354592 /nfs/dbraw/zinc/35/45/92/167354592.db2.gz PELPCBKPDVSGOK-FPOVZHCZSA-N 2 2 335.451 3.052 20 0 EGADLP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360546933 167354635 /nfs/dbraw/zinc/35/46/35/167354635.db2.gz PELPCBKPDVSGOK-TZIWHRDSSA-N 2 2 335.451 3.052 20 0 EGADLP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360546933 167354637 /nfs/dbraw/zinc/35/46/37/167354637.db2.gz PELPCBKPDVSGOK-TZIWHRDSSA-N 2 2 335.451 3.052 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000364954212 168004286 /nfs/dbraw/zinc/00/42/86/168004286.db2.gz SFFMTVUUVJRIMZ-UHFFFAOYSA-N 2 2 329.488 3.342 20 0 EGADLP Fc1ccc(-n2nccc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000366313650 168105293 /nfs/dbraw/zinc/10/52/93/168105293.db2.gz QAOSIVKASVUXSB-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000367085937 168177738 /nfs/dbraw/zinc/17/77/38/168177738.db2.gz IHRMUIKHRNSEMO-RHSMWYFYSA-N 2 2 329.419 3.494 20 0 EGADLP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000367093975 168178601 /nfs/dbraw/zinc/17/86/01/168178601.db2.gz NMWDJNKNSNXEHK-IAGOWNOFSA-N 2 2 326.550 3.143 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000367435978 168225016 /nfs/dbraw/zinc/22/50/16/168225016.db2.gz DGOZZVMUYCGSAL-INIZCTEOSA-N 2 2 327.428 3.014 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1O ZINC000367440144 168226333 /nfs/dbraw/zinc/22/63/33/168226333.db2.gz ZUHLWEJMPXBKLK-AWEZNQCLSA-N 2 2 329.444 3.045 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158659427 225061687 /nfs/dbraw/zinc/06/16/87/225061687.db2.gz XOLVEYXOTWUOQE-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158659427 225061692 /nfs/dbraw/zinc/06/16/92/225061692.db2.gz XOLVEYXOTWUOQE-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158659427 225061699 /nfs/dbraw/zinc/06/16/99/225061699.db2.gz XOLVEYXOTWUOQE-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000158659427 225061702 /nfs/dbraw/zinc/06/17/02/225061702.db2.gz XOLVEYXOTWUOQE-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccccc1[C@@H]([C@H](C)Nc1cc(N2CCCC2)[nH+]cn1)[NH+](C)C ZINC000357536585 292645699 /nfs/dbraw/zinc/64/56/99/292645699.db2.gz QWAAHVLSTYHGJO-OXJNMPFZSA-N 2 2 339.487 3.489 20 0 EGADLP CC1CC[NH+](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000174030627 265019312 /nfs/dbraw/zinc/01/93/12/265019312.db2.gz XIERERUOFNWKES-UHFFFAOYSA-N 2 2 339.524 3.144 20 0 EGADLP O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179848126 265389438 /nfs/dbraw/zinc/38/94/38/265389438.db2.gz CAAMSUHBIUHPHU-UHFFFAOYSA-N 2 2 349.438 3.120 20 0 EGADLP Cc1cccn2cc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)nc12 ZINC000180176043 265397295 /nfs/dbraw/zinc/39/72/95/265397295.db2.gz UDUNAKPHWXOCRL-UHFFFAOYSA-N 2 2 340.393 3.149 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246349690 266259952 /nfs/dbraw/zinc/25/99/52/266259952.db2.gz JDGRVHPHZXVURK-BBWFWOEESA-N 2 2 331.504 3.411 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246349690 266259958 /nfs/dbraw/zinc/25/99/58/266259958.db2.gz JDGRVHPHZXVURK-BBWFWOEESA-N 2 2 331.504 3.411 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1 ZINC000272626494 266884603 /nfs/dbraw/zinc/88/46/03/266884603.db2.gz ZLNFEBGBSHZXAO-CQSZACIVSA-N 2 2 330.394 3.460 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000274246418 267205785 /nfs/dbraw/zinc/20/57/85/267205785.db2.gz XSHNNTYNLPKJSY-ZDUSSCGKSA-N 2 2 340.414 3.033 20 0 EGADLP COc1cc(OC)cc([C@@H](Nc2cc[nH+]c(C)c2)c2[nH+]ccn2C)c1 ZINC000274332173 267219305 /nfs/dbraw/zinc/21/93/05/267219305.db2.gz GERUIOZJTCQXRC-GOSISDBHSA-N 2 2 338.411 3.342 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](c1ccccc1)N(C)C ZINC000274575737 267257156 /nfs/dbraw/zinc/25/71/56/267257156.db2.gz JTLAGUBLGDFYAQ-DYESRHJHSA-N 2 2 338.499 3.331 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000274819278 267291380 /nfs/dbraw/zinc/29/13/80/267291380.db2.gz RTAUSUISFARXNS-QRWLVFNGSA-N 2 2 337.467 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000274819278 267291382 /nfs/dbraw/zinc/29/13/82/267291382.db2.gz RTAUSUISFARXNS-QRWLVFNGSA-N 2 2 337.467 3.330 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278527541 268032492 /nfs/dbraw/zinc/03/24/92/268032492.db2.gz SZKGCAVTDPLNTN-DOTOQJQBSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000278527541 268032495 /nfs/dbraw/zinc/03/24/95/268032495.db2.gz SZKGCAVTDPLNTN-DOTOQJQBSA-N 2 2 345.487 3.019 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4c3cccc4F)[nH+]c2)C1 ZINC000346983536 273808514 /nfs/dbraw/zinc/80/85/14/273808514.db2.gz ZPVUEVPQHFPPHT-DNVCBOLYSA-N 2 2 340.446 3.460 20 0 EGADLP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CO2 ZINC000338006070 275069886 /nfs/dbraw/zinc/06/98/86/275069886.db2.gz CIXRTFQSHWLIRG-HXUWFJFHSA-N 2 2 337.467 3.029 20 0 EGADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125304124 275191580 /nfs/dbraw/zinc/19/15/80/275191580.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 3 2 330.520 3.104 20 0 EGADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125304124 275191582 /nfs/dbraw/zinc/19/15/82/275191582.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 3 2 330.520 3.104 20 0 EGADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125304124 275191584 /nfs/dbraw/zinc/19/15/84/275191584.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 3 2 330.520 3.104 20 0 EGADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125304124 275191586 /nfs/dbraw/zinc/19/15/86/275191586.db2.gz MXEGRNUYMXBOJF-LJQANCHMSA-N 3 2 330.520 3.104 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)co2)cc1 ZINC000181116639 275205291 /nfs/dbraw/zinc/20/52/91/275205291.db2.gz IUJZSODSBVUPGT-UHFFFAOYSA-N 2 2 340.427 3.459 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)co2)cc1 ZINC000181116639 275205293 /nfs/dbraw/zinc/20/52/93/275205293.db2.gz IUJZSODSBVUPGT-UHFFFAOYSA-N 2 2 340.427 3.459 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000245555930 275232709 /nfs/dbraw/zinc/23/27/09/275232709.db2.gz CWZNCCOAZWVNSB-GUDVDZBRSA-N 2 2 329.488 3.054 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000276491655 275253577 /nfs/dbraw/zinc/25/35/77/275253577.db2.gz SKXRUYZGPXPERZ-UHFFFAOYSA-N 2 2 342.487 3.125 20 0 EGADLP Cc1ccccc1NC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278616459 275259413 /nfs/dbraw/zinc/25/94/13/275259413.db2.gz MZQLZPSQUKQNRB-UHFFFAOYSA-N 2 2 339.439 3.180 20 0 EGADLP CCc1noc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278897769 275285573 /nfs/dbraw/zinc/28/55/73/275285573.db2.gz OZPXLBDZIBMXGW-CYBMUJFWSA-N 2 2 329.448 3.105 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC000278977321 275292774 /nfs/dbraw/zinc/29/27/74/275292774.db2.gz OHEMXHVWQWKIKQ-URLQWDBASA-N 2 2 329.444 3.308 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282071982 275600730 /nfs/dbraw/zinc/60/07/30/275600730.db2.gz QQPTYINDRBHRGS-UHFFFAOYSA-N 2 2 333.220 3.301 20 0 EGADLP COc1cccc(OC)c1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000285574845 275891244 /nfs/dbraw/zinc/89/12/44/275891244.db2.gz WKJYJGLTXXMKJD-UHFFFAOYSA-N 2 2 325.412 3.303 20 0 EGADLP COc1cc[nH+]cc1COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000287347278 276110662 /nfs/dbraw/zinc/11/06/62/276110662.db2.gz ZHLYNGPMNXMXDW-QGZVFWFLSA-N 2 2 340.423 3.046 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000072281266 276151841 /nfs/dbraw/zinc/15/18/41/276151841.db2.gz DSUCWVYMBMEUNM-GFCCVEGCSA-N 2 2 343.393 3.106 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC000287781804 276156735 /nfs/dbraw/zinc/15/67/35/276156735.db2.gz SEBKRQDOBNFYNL-DOMZBBRYSA-N 2 2 343.324 3.211 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000287821299 276160480 /nfs/dbraw/zinc/16/04/80/276160480.db2.gz VFBSPALAYIEQDL-DRPJVOAASA-N 2 2 330.394 3.377 20 0 EGADLP COCCOCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289287856 276316359 /nfs/dbraw/zinc/31/63/59/276316359.db2.gz PIGUPIHPKWWQOZ-XLIONFOSSA-N 2 2 343.471 3.129 20 0 EGADLP COCCOCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289287856 276316361 /nfs/dbraw/zinc/31/63/61/276316361.db2.gz PIGUPIHPKWWQOZ-XLIONFOSSA-N 2 2 343.471 3.129 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@@H](C)CO)cc3)[nH+]c12 ZINC000289432457 276338270 /nfs/dbraw/zinc/33/82/70/276338270.db2.gz KXMRNHBBVPVMSZ-INIZCTEOSA-N 2 2 339.439 3.034 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@@H](C)CO)cc3)[nH+]c12 ZINC000289432457 276338271 /nfs/dbraw/zinc/33/82/71/276338271.db2.gz KXMRNHBBVPVMSZ-INIZCTEOSA-N 2 2 339.439 3.034 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)[C@H]1SC ZINC000291506949 276652901 /nfs/dbraw/zinc/65/29/01/276652901.db2.gz WOUMIHOFNWNZEG-WQANXHIZSA-N 2 2 349.544 3.106 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1OCCc2sccc21 ZINC000291807935 276694130 /nfs/dbraw/zinc/69/41/30/276694130.db2.gz XXNWPUJVQNMTEL-UGSOOPFHSA-N 2 2 340.452 3.121 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000154531046 277064708 /nfs/dbraw/zinc/06/47/08/277064708.db2.gz SXCHBOKCCVRQBJ-IAQYHMDHSA-N 2 2 327.241 3.259 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000154531046 277064710 /nfs/dbraw/zinc/06/47/10/277064710.db2.gz SXCHBOKCCVRQBJ-IAQYHMDHSA-N 2 2 327.241 3.259 20 0 EGADLP C[N@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000368428913 277210625 /nfs/dbraw/zinc/21/06/25/277210625.db2.gz JTGHKAKMKUQPAL-KRWDZBQOSA-N 2 2 341.421 3.180 20 0 EGADLP C[N@@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000368428913 277210626 /nfs/dbraw/zinc/21/06/26/277210626.db2.gz JTGHKAKMKUQPAL-KRWDZBQOSA-N 2 2 341.421 3.180 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccn1 ZINC000348685087 277838099 /nfs/dbraw/zinc/83/80/99/277838099.db2.gz QRYKWBGJZSEJAK-GFCCVEGCSA-N 2 2 331.382 3.158 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000326441552 277902032 /nfs/dbraw/zinc/90/20/32/277902032.db2.gz WPEIYHNNNRSEOQ-PMACEKPBSA-N 2 2 326.488 3.334 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246852314 278134275 /nfs/dbraw/zinc/13/42/75/278134275.db2.gz PCRPMKLLDHPVDU-FUHIMQAGSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246852314 278134276 /nfs/dbraw/zinc/13/42/76/278134276.db2.gz PCRPMKLLDHPVDU-FUHIMQAGSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246852314 278134277 /nfs/dbraw/zinc/13/42/77/278134277.db2.gz PCRPMKLLDHPVDU-FUHIMQAGSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246852314 278134278 /nfs/dbraw/zinc/13/42/78/278134278.db2.gz PCRPMKLLDHPVDU-FUHIMQAGSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000340535742 280270378 /nfs/dbraw/zinc/27/03/78/280270378.db2.gz RARCBNBXYJDWPL-XLIONFOSSA-N 2 2 341.503 3.118 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377765833 281018522 /nfs/dbraw/zinc/01/85/22/281018522.db2.gz YBFAUGYMBJNYCM-QFBILLFUSA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377765833 281018524 /nfs/dbraw/zinc/01/85/24/281018524.db2.gz YBFAUGYMBJNYCM-QFBILLFUSA-N 2 2 337.458 3.128 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414079470 309059626 /nfs/dbraw/zinc/05/96/26/309059626.db2.gz CGEDGLVGAISLLB-IAGOWNOFSA-N 2 2 340.552 3.448 20 0 EGADLP COC(=O)c1cnc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000414080397 309059804 /nfs/dbraw/zinc/05/98/04/309059804.db2.gz UPALKAJKUMIPRM-LLVKDONJSA-N 2 2 344.440 3.089 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000138178755 307719440 /nfs/dbraw/zinc/71/94/40/307719440.db2.gz OFBOWZCODAZMHD-ICSRJNTNSA-N 2 2 326.488 3.334 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000158898396 307865403 /nfs/dbraw/zinc/86/54/03/307865403.db2.gz SBHTWDOJIAIKCE-QAPCUYQASA-N 2 2 326.431 3.098 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414300772 309071491 /nfs/dbraw/zinc/07/14/91/309071491.db2.gz MCHFLJJASBFGIG-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C1 ZINC000414317043 309072527 /nfs/dbraw/zinc/07/25/27/309072527.db2.gz VHFQWBBYKUHLRO-OZOXKJRCSA-N 2 2 342.458 3.327 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C1 ZINC000414317043 309072528 /nfs/dbraw/zinc/07/25/28/309072528.db2.gz VHFQWBBYKUHLRO-OZOXKJRCSA-N 2 2 342.458 3.327 20 0 EGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)Oc1cccc(Cl)c1 ZINC000414357927 309074978 /nfs/dbraw/zinc/07/49/78/309074978.db2.gz AVFSTLIWDBDLHC-HNNXBMFYSA-N 2 2 336.867 3.087 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCCOc2ccc3ccccc3c2)n1C ZINC000414385090 309076965 /nfs/dbraw/zinc/07/69/65/309076965.db2.gz WINWOAOGLKGYGT-UHFFFAOYSA-N 2 2 338.455 3.198 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249159268 308020396 /nfs/dbraw/zinc/02/03/96/308020396.db2.gz YAYWPWCADKBLDL-AQNCSGRASA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249159268 308020398 /nfs/dbraw/zinc/02/03/98/308020398.db2.gz YAYWPWCADKBLDL-AQNCSGRASA-N 2 2 340.870 3.487 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000414447171 309080624 /nfs/dbraw/zinc/08/06/24/309080624.db2.gz WKSMLUUOYDOPHA-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000414447171 309080625 /nfs/dbraw/zinc/08/06/25/309080625.db2.gz WKSMLUUOYDOPHA-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000414447171 309080626 /nfs/dbraw/zinc/08/06/26/309080626.db2.gz WKSMLUUOYDOPHA-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000414447171 309080627 /nfs/dbraw/zinc/08/06/27/309080627.db2.gz WKSMLUUOYDOPHA-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874149 308075109 /nfs/dbraw/zinc/07/51/09/308075109.db2.gz DMFOBLTUIPYPMF-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874149 308075111 /nfs/dbraw/zinc/07/51/11/308075111.db2.gz DMFOBLTUIPYPMF-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292874149 308075113 /nfs/dbraw/zinc/07/51/13/308075113.db2.gz DMFOBLTUIPYPMF-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874149 308075114 /nfs/dbraw/zinc/07/51/14/308075114.db2.gz DMFOBLTUIPYPMF-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP FC(F)Cn1cc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000293142343 308103308 /nfs/dbraw/zinc/10/33/08/308103308.db2.gz ZXLPNFCMAAZJSR-QGZVFWFLSA-N 2 2 334.414 3.075 20 0 EGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000294697883 308247067 /nfs/dbraw/zinc/24/70/67/308247067.db2.gz BCSYOOUNMXLHAM-AGUYFDCRSA-N 2 2 339.277 3.173 20 0 EGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000294697883 308247068 /nfs/dbraw/zinc/24/70/68/308247068.db2.gz BCSYOOUNMXLHAM-AGUYFDCRSA-N 2 2 339.277 3.173 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000295177786 308299909 /nfs/dbraw/zinc/29/99/09/308299909.db2.gz VEIMALAQLTVIHW-FQEVSTJZSA-N 2 2 328.431 3.113 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000295318364 308314238 /nfs/dbraw/zinc/31/42/38/308314238.db2.gz YXTHVBROLQZHEG-UHFFFAOYSA-N 2 2 341.503 3.272 20 0 EGADLP Clc1ccc2c(n1)CCC[C@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000295823930 308363971 /nfs/dbraw/zinc/36/39/71/308363971.db2.gz DKQKWYNOAHBMKJ-OAHLLOKOSA-N 2 2 339.830 3.483 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1F ZINC000295859098 308368029 /nfs/dbraw/zinc/36/80/29/308368029.db2.gz GLASQTODZOOHBZ-WBMJQRKESA-N 2 2 325.391 3.312 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H]1SC ZINC000297609233 308550038 /nfs/dbraw/zinc/55/00/38/308550038.db2.gz KNASSGQHAVWEGX-YXJHDRRASA-N 2 2 333.501 3.005 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+](C)C1(C[NH3+])CCC1 ZINC000414773527 309100131 /nfs/dbraw/zinc/10/01/31/309100131.db2.gz AFKXGBBPACHCGU-UHFFFAOYSA-N 2 2 329.307 3.484 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+](C)C1(C[NH3+])CCC1 ZINC000414773527 309100132 /nfs/dbraw/zinc/10/01/32/309100132.db2.gz AFKXGBBPACHCGU-UHFFFAOYSA-N 2 2 329.307 3.484 20 0 EGADLP CCC([NH3+])(CC)C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414809675 309102880 /nfs/dbraw/zinc/10/28/80/309102880.db2.gz MQGMZFZZPYYXRM-UHFFFAOYSA-N 2 2 333.457 3.146 20 0 EGADLP Cc1cc(Br)cc(C[NH2+]CC(C)(C)[NH3+])c1OC(F)F ZINC000414810954 309102988 /nfs/dbraw/zinc/10/29/88/309102988.db2.gz YPHVMNQBBXCLTB-UHFFFAOYSA-N 2 2 337.208 3.186 20 0 EGADLP Clc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301392515 308698868 /nfs/dbraw/zinc/69/88/68/308698868.db2.gz IEPVOUIRUHVVKM-HNNXBMFYSA-N 2 2 345.874 3.437 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414841310 309104983 /nfs/dbraw/zinc/10/49/83/309104983.db2.gz HQTFXPWEXKORMH-SFHVURJKSA-N 2 2 328.504 3.458 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CCOC(C)C)CC1 ZINC000302676790 308741756 /nfs/dbraw/zinc/74/17/56/308741756.db2.gz UVBNMTLHMDVGKJ-UHFFFAOYSA-N 2 2 343.471 3.099 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000332073320 308825441 /nfs/dbraw/zinc/82/54/41/308825441.db2.gz WWHBBIHXYANJOK-ARFHVFGLSA-N 2 2 345.491 3.031 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414849598 309105409 /nfs/dbraw/zinc/10/54/09/309105409.db2.gz ROXHRLZUTDDYPO-KRWDZBQOSA-N 2 2 342.487 3.155 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000414850568 309105506 /nfs/dbraw/zinc/10/55/06/309105506.db2.gz SPNHDPUIMHLJBL-HXUWFJFHSA-N 2 2 349.482 3.395 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414854601 309105785 /nfs/dbraw/zinc/10/57/85/309105785.db2.gz ZOYDMDQALCLAMP-IBGZPJMESA-N 2 2 326.440 3.386 20 0 EGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000414856325 309105949 /nfs/dbraw/zinc/10/59/49/309105949.db2.gz YOEIJRFHQKTYLW-LBPRGKRZSA-N 2 2 328.382 3.055 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc3cccnc32)cc1 ZINC000414892127 309107716 /nfs/dbraw/zinc/10/77/16/309107716.db2.gz WKHQBVMJTSISAN-SFTDATJTSA-N 2 2 347.462 3.479 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000414892640 309107741 /nfs/dbraw/zinc/10/77/41/309107741.db2.gz XDBDRKHYHIVEBC-QFBILLFUSA-N 2 2 332.394 3.209 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OC(F)F ZINC000414920840 309109400 /nfs/dbraw/zinc/10/94/00/309109400.db2.gz AECHEFUOGFNZEU-OAHLLOKOSA-N 2 2 328.403 3.164 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414949410 309110989 /nfs/dbraw/zinc/11/09/89/309110989.db2.gz DXFQATYSLHZJCE-LPHOPBHVSA-N 2 2 348.441 3.286 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000414951698 309111178 /nfs/dbraw/zinc/11/11/78/309111178.db2.gz PZDZUZNEXSAVJZ-XJKSGUPXSA-N 2 2 337.439 3.219 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414964706 309111901 /nfs/dbraw/zinc/11/19/01/309111901.db2.gz YUFOTCNLWVAEDN-LIRRHRJNSA-N 2 2 346.906 3.432 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414972814 309112393 /nfs/dbraw/zinc/11/23/93/309112393.db2.gz YMKMTVRWJMDBCP-HNNXBMFYSA-N 2 2 335.904 3.062 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415013263 309114250 /nfs/dbraw/zinc/11/42/50/309114250.db2.gz YJVMGQQNRKCNTK-FXAWDEMLSA-N 3 2 347.522 3.371 20 0 EGADLP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000415044204 309116229 /nfs/dbraw/zinc/11/62/29/309116229.db2.gz APACVIWWZKZBDJ-OAQYLSRUSA-N 3 2 338.499 3.116 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000415062542 309117683 /nfs/dbraw/zinc/11/76/83/309117683.db2.gz FPLSLIXFSKEZEO-QGZVFWFLSA-N 2 2 344.455 3.064 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000415068918 309118044 /nfs/dbraw/zinc/11/80/44/309118044.db2.gz RRWLOCGBEOVUHP-FQEVSTJZSA-N 2 2 338.430 3.363 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000415070086 309118150 /nfs/dbraw/zinc/11/81/50/309118150.db2.gz UKYJTHUWVTWXJF-LPHOPBHVSA-N 2 2 331.504 3.020 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3CCCC[NH2+]C3)cc2)cs1 ZINC000415070952 309118381 /nfs/dbraw/zinc/11/83/81/309118381.db2.gz RURNGBHJLYVWFD-INIZCTEOSA-N 2 2 331.485 3.262 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000415087444 309119321 /nfs/dbraw/zinc/11/93/21/309119321.db2.gz UODSDJFAYIYRPK-BPQIPLTHSA-N 3 2 328.435 3.022 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)CC[NH3+])c1 ZINC000415100101 309120340 /nfs/dbraw/zinc/12/03/40/309120340.db2.gz AFFUVNZZIGXDOS-UHFFFAOYSA-N 2 2 334.467 3.297 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)CC[NH3+])c1 ZINC000415100101 309120341 /nfs/dbraw/zinc/12/03/41/309120341.db2.gz AFFUVNZZIGXDOS-UHFFFAOYSA-N 2 2 334.467 3.297 20 0 EGADLP C[C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@H]1C[NH3+] ZINC000415186236 309125314 /nfs/dbraw/zinc/12/53/14/309125314.db2.gz NASWPRWXHDDOAC-KSSFIOAISA-N 2 2 340.427 3.465 20 0 EGADLP Cc1[nH+]c2cc(NCc3cn4ccccc4[nH+]3)ccc2n1[C@H](C)CO ZINC000419756753 309271525 /nfs/dbraw/zinc/27/15/25/309271525.db2.gz BJPTWTDRCHXFKS-CYBMUJFWSA-N 2 2 335.411 3.158 20 0 EGADLP CC(C)c1nc(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc(C(C)(C)C)[nH+]1 ZINC000420284619 309279384 /nfs/dbraw/zinc/27/93/84/309279384.db2.gz YPQOLTHFIAPGAO-OAHLLOKOSA-N 2 2 346.519 3.089 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000420295120 309279853 /nfs/dbraw/zinc/27/98/53/309279853.db2.gz UVQDGAKEIBWBOL-UHFFFAOYSA-N 2 2 343.471 3.137 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000420295120 309279854 /nfs/dbraw/zinc/27/98/54/309279854.db2.gz UVQDGAKEIBWBOL-UHFFFAOYSA-N 2 2 343.471 3.137 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303213 309280434 /nfs/dbraw/zinc/28/04/34/309280434.db2.gz HMGLGRDFKTUWPT-GMBSWORKSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303213 309280435 /nfs/dbraw/zinc/28/04/35/309280435.db2.gz HMGLGRDFKTUWPT-GMBSWORKSA-N 2 2 341.430 3.175 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000420312752 309281366 /nfs/dbraw/zinc/28/13/66/309281366.db2.gz XDKACWKXUXLFJU-POZUXBRTSA-N 2 2 346.496 3.261 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000420312752 309281367 /nfs/dbraw/zinc/28/13/67/309281367.db2.gz XDKACWKXUXLFJU-POZUXBRTSA-N 2 2 346.496 3.261 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397135 309286414 /nfs/dbraw/zinc/28/64/14/309286414.db2.gz MOHREDNNIDIHLY-WMLDXEAASA-N 2 2 335.879 3.051 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397135 309286415 /nfs/dbraw/zinc/28/64/15/309286415.db2.gz MOHREDNNIDIHLY-WMLDXEAASA-N 2 2 335.879 3.051 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402651 309286602 /nfs/dbraw/zinc/28/66/02/309286602.db2.gz KEEIIUSUIUWIGQ-MBNYWOFBSA-N 2 2 334.851 3.368 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402651 309286603 /nfs/dbraw/zinc/28/66/03/309286603.db2.gz KEEIIUSUIUWIGQ-MBNYWOFBSA-N 2 2 334.851 3.368 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1C ZINC000420413371 309287131 /nfs/dbraw/zinc/28/71/31/309287131.db2.gz ZWQOMGFOYQTGBQ-HZPDHXFCSA-N 2 2 335.517 3.076 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1C ZINC000420413371 309287132 /nfs/dbraw/zinc/28/71/32/309287132.db2.gz ZWQOMGFOYQTGBQ-HZPDHXFCSA-N 2 2 335.517 3.076 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000420805649 309295695 /nfs/dbraw/zinc/29/56/95/309295695.db2.gz OVCWDMIDQBXFOL-AUUYWEPGSA-N 2 2 332.492 3.008 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000420903624 309300043 /nfs/dbraw/zinc/30/00/43/309300043.db2.gz BGWGAKMEXPWBEC-PMACEKPBSA-N 2 2 346.540 3.379 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000420903624 309300044 /nfs/dbraw/zinc/30/00/44/309300044.db2.gz BGWGAKMEXPWBEC-PMACEKPBSA-N 2 2 346.540 3.379 20 0 EGADLP c1cc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)ccn1 ZINC000420949013 309303626 /nfs/dbraw/zinc/30/36/26/309303626.db2.gz QEYWMMVHQQSZAA-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1cc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)ccn1 ZINC000420949013 309303627 /nfs/dbraw/zinc/30/36/27/309303627.db2.gz QEYWMMVHQQSZAA-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP FC(F)(F)C1=CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420950612 309303713 /nfs/dbraw/zinc/30/37/13/309303713.db2.gz RPPQTLQAMIBHKP-UHFFFAOYSA-N 2 2 340.389 3.213 20 0 EGADLP FC(F)(F)C1=CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420950612 309303714 /nfs/dbraw/zinc/30/37/14/309303714.db2.gz RPPQTLQAMIBHKP-UHFFFAOYSA-N 2 2 340.389 3.213 20 0 EGADLP Fc1cccc2c1CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420956595 309304060 /nfs/dbraw/zinc/30/40/60/309304060.db2.gz ZLHMJAADVGVKHI-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1cccc2c1CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420956595 309304061 /nfs/dbraw/zinc/30/40/61/309304061.db2.gz ZLHMJAADVGVKHI-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP CC[N@H+](Cc1occc1C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420957622 309304315 /nfs/dbraw/zinc/30/43/15/309304315.db2.gz BYGMXJITXJMCBD-UHFFFAOYSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](Cc1occc1C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420957622 309304316 /nfs/dbraw/zinc/30/43/16/309304316.db2.gz BYGMXJITXJMCBD-UHFFFAOYSA-N 2 2 328.456 3.442 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cncc1F ZINC000420966447 309304807 /nfs/dbraw/zinc/30/48/07/309304807.db2.gz QUEMEECUJIBUAS-CQSZACIVSA-N 2 2 347.409 3.043 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C)ccc3F)CC2)CC1 ZINC000420986484 309306008 /nfs/dbraw/zinc/30/60/08/309306008.db2.gz YOAUKWUUMFIVSR-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C)ccc3F)CC2)CC1 ZINC000420986484 309306009 /nfs/dbraw/zinc/30/60/09/309306009.db2.gz YOAUKWUUMFIVSR-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358988 309320126 /nfs/dbraw/zinc/32/01/26/309320126.db2.gz DUNLGSJEIBEZKG-LSDHHAIUSA-N 2 2 329.444 3.277 20 0 EGADLP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358988 309320127 /nfs/dbraw/zinc/32/01/27/309320127.db2.gz DUNLGSJEIBEZKG-LSDHHAIUSA-N 2 2 329.444 3.277 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000421369334 309320999 /nfs/dbraw/zinc/32/09/99/309320999.db2.gz HITCXLRSNIKQIH-HWKANZROSA-N 2 2 345.506 3.331 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000421369334 309321000 /nfs/dbraw/zinc/32/10/00/309321000.db2.gz HITCXLRSNIKQIH-HWKANZROSA-N 2 2 345.506 3.331 20 0 EGADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000421709200 309336203 /nfs/dbraw/zinc/33/62/03/309336203.db2.gz DAPAMDCVQBUGOO-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000421709200 309336204 /nfs/dbraw/zinc/33/62/04/309336204.db2.gz DAPAMDCVQBUGOO-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000422688849 309363407 /nfs/dbraw/zinc/36/34/07/309363407.db2.gz DFWMNBXKFKLHSK-OAHLLOKOSA-N 2 2 341.455 3.360 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422733227 309365728 /nfs/dbraw/zinc/36/57/28/309365728.db2.gz QLKLWHXKRPBRCX-KSSFIOAISA-N 3 2 344.528 3.398 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422816112 309369940 /nfs/dbraw/zinc/36/99/40/309369940.db2.gz ZBYXAAQPTNTGCK-QHAWAJNXSA-N 3 2 338.499 3.332 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422853754 309372105 /nfs/dbraw/zinc/37/21/05/309372105.db2.gz CFPKGZFAYSCFHN-GJZGRUSLSA-N 2 2 337.345 3.257 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OC[C@H]2CCCO2)c1 ZINC000422880979 309373676 /nfs/dbraw/zinc/37/36/76/309373676.db2.gz YDJZLOXDDNVLGP-NVXWUHKLSA-N 2 2 341.455 3.211 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422888448 309374223 /nfs/dbraw/zinc/37/42/23/309374223.db2.gz CVYDBGHWGQJOQP-XJKSGUPXSA-N 2 2 327.453 3.451 20 0 EGADLP COc1ccc(C2(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)CCCCC2)cc1 ZINC000422903344 309375498 /nfs/dbraw/zinc/37/54/98/309375498.db2.gz OHZGPCMZLZAIRT-IEBWSBKVSA-N 2 2 346.515 3.254 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422910523 309375869 /nfs/dbraw/zinc/37/58/69/309375869.db2.gz QXRJPZSDOWNHMD-HZPDHXFCSA-N 3 2 326.488 3.020 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422910523 309375870 /nfs/dbraw/zinc/37/58/70/309375870.db2.gz QXRJPZSDOWNHMD-HZPDHXFCSA-N 3 2 326.488 3.020 20 0 EGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422916436 309375961 /nfs/dbraw/zinc/37/59/61/309375961.db2.gz AOOIGZLHVGGIQM-BYCMXARLSA-N 2 2 328.378 3.437 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943850 309377406 /nfs/dbraw/zinc/37/74/06/309377406.db2.gz YUIJUXCDCTZSDO-UIAACRFSSA-N 2 2 328.431 3.272 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000422952949 309377814 /nfs/dbraw/zinc/37/78/14/309377814.db2.gz DLNMQFLSNOGTCI-YFVAEKQCSA-N 2 2 340.467 3.163 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423037044 309382444 /nfs/dbraw/zinc/38/24/44/309382444.db2.gz VJWNAUVZDUNPJA-DLBZAZTESA-N 2 2 337.467 3.151 20 0 EGADLP Cn1c(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)nc2cccc(Cl)c21 ZINC000423046371 309382808 /nfs/dbraw/zinc/38/28/08/309382808.db2.gz DKPSWKIRSMDKER-HOCLYGCPSA-N 2 2 326.831 3.461 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423101231 309385943 /nfs/dbraw/zinc/38/59/43/309385943.db2.gz VQLOMYXTRNBLJT-CSFVBSKPSA-N 2 2 342.405 3.308 20 0 EGADLP FC(F)Oc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccn1 ZINC000423111707 309386578 /nfs/dbraw/zinc/38/65/78/309386578.db2.gz WKFZSWZEZFWCEM-HZPDHXFCSA-N 2 2 333.382 3.266 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423119605 309386811 /nfs/dbraw/zinc/38/68/11/309386811.db2.gz FCXDOAKWVPBJJD-RYRKJORJSA-N 2 2 341.455 3.292 20 0 EGADLP CC[C@H]([NH2+]CC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423176432 309389160 /nfs/dbraw/zinc/38/91/60/309389160.db2.gz CHJKUVPVRYBWLZ-NSHDSACASA-N 2 2 325.172 3.467 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCS2 ZINC000423184808 309389441 /nfs/dbraw/zinc/38/94/41/309389441.db2.gz IRQNHKCNOCGKAL-WCQYABFASA-N 2 2 327.291 3.328 20 0 EGADLP COc1ccc(C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccc(OC)cc2)cc1 ZINC000423242425 309392036 /nfs/dbraw/zinc/39/20/36/309392036.db2.gz VPMYGANTXGQFAC-RXVVDRJESA-N 2 2 340.467 3.329 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268552 309393189 /nfs/dbraw/zinc/39/31/89/309393189.db2.gz UUBIGEZXTBPFDF-WMQCIHAUSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268552 309393190 /nfs/dbraw/zinc/39/31/90/309393190.db2.gz UUBIGEZXTBPFDF-WMQCIHAUSA-N 3 2 329.532 3.394 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(Br)c1 ZINC000423267114 309393208 /nfs/dbraw/zinc/39/32/08/309393208.db2.gz SQOCMKFHIGAUFT-NWDGAFQWSA-N 2 2 329.282 3.482 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H](C)[NH3+] ZINC000423298040 309394571 /nfs/dbraw/zinc/39/45/71/309394571.db2.gz MWHRPRDKOOTOPA-UGSOOPFHSA-N 2 2 328.460 3.321 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423411915 309399016 /nfs/dbraw/zinc/39/90/16/309399016.db2.gz GNZUXVGDTVAMKA-HZPDHXFCSA-N 2 2 346.393 3.395 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]1 ZINC000423420275 309399718 /nfs/dbraw/zinc/39/97/18/309399718.db2.gz JEKGSIBUGCAYRQ-GDBMZVCRSA-N 2 2 329.271 3.339 20 0 EGADLP COC(=O)CC1CC([NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000425377950 309477425 /nfs/dbraw/zinc/47/74/25/309477425.db2.gz IMILBLTYJDCSCL-GGXSUZLTSA-N 2 2 339.439 3.043 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)C[NH+](C)C ZINC000425944443 309495400 /nfs/dbraw/zinc/49/54/00/309495400.db2.gz MZXSNXKWASWMAU-YGRLFVJLSA-N 2 2 329.257 3.363 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000427894667 309537789 /nfs/dbraw/zinc/53/77/89/309537789.db2.gz RBAYXDXJGHITSM-YPMHNXCESA-N 2 2 325.334 3.447 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([NH3+])CC2)c1 ZINC000430621543 309613375 /nfs/dbraw/zinc/61/33/75/309613375.db2.gz DMDNXANMNODXKW-HXUWFJFHSA-N 2 2 337.467 3.406 20 0 EGADLP c1[nH+]c(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)n2c1CCCC2 ZINC000434678135 309717556 /nfs/dbraw/zinc/71/75/56/309717556.db2.gz CIARTGCNLPUIIB-UHFFFAOYSA-N 2 2 335.455 3.475 20 0 EGADLP Cc1[nH+]cc(CN2CC[NH+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000435240648 309727779 /nfs/dbraw/zinc/72/77/79/309727779.db2.gz PQUVINBHZOGBEX-UHFFFAOYSA-N 2 2 346.478 3.499 20 0 EGADLP C[C@H](Nc1[nH+]c2cccc(F)c2n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000443506042 309902138 /nfs/dbraw/zinc/90/21/38/309902138.db2.gz BPTNBNFGGYYMEA-ZDUSSCGKSA-N 2 2 335.386 3.493 20 0 EGADLP Fc1cccc(Oc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)c1 ZINC000443990189 309911215 /nfs/dbraw/zinc/91/12/15/309911215.db2.gz SEMBFLJZCMIHQO-UHFFFAOYSA-N 2 2 344.430 3.430 20 0 EGADLP COc1ccc(-n2cc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cn2)cc1 ZINC000449032608 310031421 /nfs/dbraw/zinc/03/14/21/310031421.db2.gz XJUNYLQVYPDVCG-SFHVURJKSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccc(-n2cc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cn2)cc1 ZINC000449032608 310031422 /nfs/dbraw/zinc/03/14/22/310031422.db2.gz XJUNYLQVYPDVCG-SFHVURJKSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccc(-n2cc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cn2)cc1 ZINC000449032608 310031423 /nfs/dbraw/zinc/03/14/23/310031423.db2.gz XJUNYLQVYPDVCG-SFHVURJKSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccc(-n2cc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cn2)cc1 ZINC000449032608 310031424 /nfs/dbraw/zinc/03/14/24/310031424.db2.gz XJUNYLQVYPDVCG-SFHVURJKSA-N 2 2 342.487 3.187 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046912 310032965 /nfs/dbraw/zinc/03/29/65/310032965.db2.gz MLQJXYWHQFRRCU-APWZRJJASA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046912 310032966 /nfs/dbraw/zinc/03/29/66/310032966.db2.gz MLQJXYWHQFRRCU-APWZRJJASA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046912 310032967 /nfs/dbraw/zinc/03/29/67/310032967.db2.gz MLQJXYWHQFRRCU-APWZRJJASA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046912 310032968 /nfs/dbraw/zinc/03/29/68/310032968.db2.gz MLQJXYWHQFRRCU-APWZRJJASA-N 2 2 342.462 3.142 20 0 EGADLP CSCC1CCC([NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000449104558 310037331 /nfs/dbraw/zinc/03/73/31/310037331.db2.gz ACFIYAIERSTVEX-UHFFFAOYSA-N 3 2 339.593 3.056 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449103034 310037344 /nfs/dbraw/zinc/03/73/44/310037344.db2.gz NWHSNAFXVPDKBG-CYBMUJFWSA-N 2 2 334.261 3.181 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449103034 310037345 /nfs/dbraw/zinc/03/73/45/310037345.db2.gz NWHSNAFXVPDKBG-CYBMUJFWSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccncc1F ZINC000449189020 310043318 /nfs/dbraw/zinc/04/33/18/310043318.db2.gz TYMPEHFUTOIJQE-IGOJGBNBSA-N 2 2 327.447 3.467 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccncc1F ZINC000449189020 310043319 /nfs/dbraw/zinc/04/33/19/310043319.db2.gz TYMPEHFUTOIJQE-IGOJGBNBSA-N 2 2 327.447 3.467 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449350287 310056065 /nfs/dbraw/zinc/05/60/65/310056065.db2.gz JQQHXXKCEFFAFW-CQSZACIVSA-N 2 2 329.835 3.291 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCc4c3cccc4O)sc2C1 ZINC000449387560 310058116 /nfs/dbraw/zinc/05/81/16/310058116.db2.gz LZIKOVIQQWGHED-OAHLLOKOSA-N 2 2 343.496 3.392 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCc4c3cccc4O)sc2C1 ZINC000449387560 310058117 /nfs/dbraw/zinc/05/81/17/310058117.db2.gz LZIKOVIQQWGHED-OAHLLOKOSA-N 2 2 343.496 3.392 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000449388831 310058327 /nfs/dbraw/zinc/05/83/27/310058327.db2.gz QKLFGCIHAIKLGP-SUMDDJOVSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000449388831 310058328 /nfs/dbraw/zinc/05/83/28/310058328.db2.gz QKLFGCIHAIKLGP-SUMDDJOVSA-N 2 2 336.907 3.413 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000449610768 310075248 /nfs/dbraw/zinc/07/52/48/310075248.db2.gz SBDOGQYIWHFTKD-BHIYHBOVSA-N 2 2 325.456 3.237 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000449610768 310075249 /nfs/dbraw/zinc/07/52/49/310075249.db2.gz SBDOGQYIWHFTKD-BHIYHBOVSA-N 2 2 325.456 3.237 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)C(=O)N3c4ccccc4C[C@H]3C)c[nH+]c12 ZINC000449648680 310077299 /nfs/dbraw/zinc/07/72/99/310077299.db2.gz UJNAWHHHZXBCHT-HZPDHXFCSA-N 2 2 348.450 3.099 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449649765 310077519 /nfs/dbraw/zinc/07/75/19/310077519.db2.gz XLGQVACLWBUKJE-JKSUJKDBSA-N 2 2 343.515 3.205 20 0 EGADLP C[C@H](c1csnn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000450349845 310117201 /nfs/dbraw/zinc/11/72/01/310117201.db2.gz VMRDSVHFWSEEJT-OAHLLOKOSA-N 2 2 330.501 3.443 20 0 EGADLP C[C@H](c1csnn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000450349845 310117202 /nfs/dbraw/zinc/11/72/02/310117202.db2.gz VMRDSVHFWSEEJT-OAHLLOKOSA-N 2 2 330.501 3.443 20 0 EGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000450470949 310124518 /nfs/dbraw/zinc/12/45/18/310124518.db2.gz JPNURZKFCDQEAX-GOSISDBHSA-N 2 2 329.419 3.458 20 0 EGADLP COc1cc[nH+]c(CN2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000451708058 310193944 /nfs/dbraw/zinc/19/39/44/310193944.db2.gz MBSCVKIYVLLWGZ-KRWDZBQOSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000451708058 310193945 /nfs/dbraw/zinc/19/39/45/310193945.db2.gz MBSCVKIYVLLWGZ-KRWDZBQOSA-N 2 2 325.456 3.044 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918850 310203898 /nfs/dbraw/zinc/20/38/98/310203898.db2.gz YWXLPNHXRNYPIW-CVEARBPZSA-N 2 2 331.287 3.275 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918850 310203899 /nfs/dbraw/zinc/20/38/99/310203899.db2.gz YWXLPNHXRNYPIW-CVEARBPZSA-N 2 2 331.287 3.275 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)c1cccc(OC)c1 ZINC000453087322 310257113 /nfs/dbraw/zinc/25/71/13/310257113.db2.gz YVWVHKXHQYDDHI-JXFKEZNVSA-N 2 2 342.487 3.089 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCS2 ZINC000453257961 310267287 /nfs/dbraw/zinc/26/72/87/310267287.db2.gz HIVPXQOHKFMZRG-SJLPKXTDSA-N 2 2 334.529 3.277 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCS2 ZINC000453257961 310267288 /nfs/dbraw/zinc/26/72/88/310267288.db2.gz HIVPXQOHKFMZRG-SJLPKXTDSA-N 2 2 334.529 3.277 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2ccccc12 ZINC000453261573 310267632 /nfs/dbraw/zinc/26/76/32/310267632.db2.gz RXOXAHDCUPMNLR-DLBZAZTESA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)c2ccccc12 ZINC000453261573 310267633 /nfs/dbraw/zinc/26/76/33/310267633.db2.gz RXOXAHDCUPMNLR-DLBZAZTESA-N 2 2 342.483 3.346 20 0 EGADLP CCC(C)(C)OCC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000453623297 310285378 /nfs/dbraw/zinc/28/53/78/310285378.db2.gz YUTYPIGSUDUFNR-UHFFFAOYSA-N 2 2 325.522 3.204 20 0 EGADLP CCC(C)(C)OCC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000453623297 310285379 /nfs/dbraw/zinc/28/53/79/310285379.db2.gz YUTYPIGSUDUFNR-UHFFFAOYSA-N 2 2 325.522 3.204 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000453643426 310286350 /nfs/dbraw/zinc/28/63/50/310286350.db2.gz ZPYQWCIIBPOOHZ-HXUWFJFHSA-N 2 2 349.478 3.491 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c(C)[nH+]1 ZINC000455493793 310363808 /nfs/dbraw/zinc/36/38/08/310363808.db2.gz CUMOALQSWYJUHL-UHFFFAOYSA-N 2 2 338.455 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c(C)[nH+]1 ZINC000455493793 310363809 /nfs/dbraw/zinc/36/38/09/310363809.db2.gz CUMOALQSWYJUHL-UHFFFAOYSA-N 2 2 338.455 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(C)[nH+]1 ZINC000455499151 310364032 /nfs/dbraw/zinc/36/40/32/310364032.db2.gz RYIVQYGOFLUDBV-QGZVFWFLSA-N 2 2 330.476 3.393 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(C)[nH+]1 ZINC000455499151 310364033 /nfs/dbraw/zinc/36/40/33/310364033.db2.gz RYIVQYGOFLUDBV-QGZVFWFLSA-N 2 2 330.476 3.393 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cn4ccccc4[nH+]3)ccc21 ZINC000455847229 310379308 /nfs/dbraw/zinc/37/93/08/310379308.db2.gz IVOKRVJTGMTQDV-GOSISDBHSA-N 2 2 349.438 3.205 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1 ZINC000457281313 310445783 /nfs/dbraw/zinc/44/57/83/310445783.db2.gz AKCREHQIXAUWSI-UHFFFAOYSA-N 2 2 346.500 3.299 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)ccc1O ZINC000459392998 310549713 /nfs/dbraw/zinc/54/97/13/310549713.db2.gz VBJAVLYFZWVQAM-GOSISDBHSA-N 2 2 328.456 3.492 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492278240 311232944 /nfs/dbraw/zinc/23/29/44/311232944.db2.gz PMIJLUCKNDWFGD-KRWDZBQOSA-N 2 2 333.476 3.312 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000492301629 311235761 /nfs/dbraw/zinc/23/57/61/311235761.db2.gz VXJWXNOZALCPNC-SQVRQVGWSA-N 2 2 340.471 3.116 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000492868958 311301175 /nfs/dbraw/zinc/30/11/75/311301175.db2.gz WPDZRDPFKKAMNZ-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000492868958 311301177 /nfs/dbraw/zinc/30/11/77/311301177.db2.gz WPDZRDPFKKAMNZ-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493067181 311323077 /nfs/dbraw/zinc/32/30/77/311323077.db2.gz ANDIRUYQSMVGCA-MDZDMXLPSA-N 2 2 338.455 3.115 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCOC2=O)c1 ZINC000496695639 311751154 /nfs/dbraw/zinc/75/11/54/311751154.db2.gz DFHOZYSFASZGPU-YOEHRIQHSA-N 2 2 331.460 3.072 20 0 EGADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506453214 312049232 /nfs/dbraw/zinc/04/92/32/312049232.db2.gz HIAWRDQYTUQGJF-KRWDZBQOSA-N 2 2 348.531 3.140 20 0 EGADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506453214 312049233 /nfs/dbraw/zinc/04/92/33/312049233.db2.gz HIAWRDQYTUQGJF-KRWDZBQOSA-N 2 2 348.531 3.140 20 0 EGADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000506480764 312050235 /nfs/dbraw/zinc/05/02/35/312050235.db2.gz MSLIAYAIHGFQTR-WBFXSEPVSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000506480764 312050238 /nfs/dbraw/zinc/05/02/38/312050238.db2.gz MSLIAYAIHGFQTR-WBFXSEPVSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506480764 312050240 /nfs/dbraw/zinc/05/02/40/312050240.db2.gz MSLIAYAIHGFQTR-WBFXSEPVSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506480764 312050243 /nfs/dbraw/zinc/05/02/43/312050243.db2.gz MSLIAYAIHGFQTR-WBFXSEPVSA-N 2 2 349.563 3.268 20 0 EGADLP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507521676 312075942 /nfs/dbraw/zinc/07/59/42/312075942.db2.gz ZUNGZSQUAXBTBW-GDBMZVCRSA-N 2 2 336.442 3.444 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721534 312100701 /nfs/dbraw/zinc/10/07/01/312100701.db2.gz VHRHHDOEBOPNBT-DYXWJJEUSA-N 3 2 329.532 3.361 20 0 EGADLP c1[nH+]c2ccccn2c1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000510160130 312134473 /nfs/dbraw/zinc/13/44/73/312134473.db2.gz OTNCLENOFXJBRM-UHFFFAOYSA-N 2 2 326.488 3.422 20 0 EGADLP c1[nH+]c2ccccn2c1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000510160130 312134475 /nfs/dbraw/zinc/13/44/75/312134475.db2.gz OTNCLENOFXJBRM-UHFFFAOYSA-N 2 2 326.488 3.422 20 0 EGADLP CC1(C)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000510775397 312148169 /nfs/dbraw/zinc/14/81/69/312148169.db2.gz DNDIPGBFTZSJQA-UHFFFAOYSA-N 2 2 347.572 3.416 20 0 EGADLP CC1(C)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000510775397 312148171 /nfs/dbraw/zinc/14/81/71/312148171.db2.gz DNDIPGBFTZSJQA-UHFFFAOYSA-N 2 2 347.572 3.416 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631407 312191273 /nfs/dbraw/zinc/19/12/73/312191273.db2.gz QRNHAKMSLHHXBY-PCCBWWKXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631407 312191274 /nfs/dbraw/zinc/19/12/74/312191274.db2.gz QRNHAKMSLHHXBY-PCCBWWKXSA-N 3 2 329.532 3.219 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512682161 312192260 /nfs/dbraw/zinc/19/22/60/312192260.db2.gz DLCJJBDSMFFCIW-HXUWFJFHSA-N 2 2 344.547 3.352 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512682161 312192262 /nfs/dbraw/zinc/19/22/62/312192262.db2.gz DLCJJBDSMFFCIW-HXUWFJFHSA-N 2 2 344.547 3.352 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000513454658 312210793 /nfs/dbraw/zinc/21/07/93/312210793.db2.gz HDNTVFYNXDAQNR-NRFANRHFSA-N 2 2 338.495 3.458 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334253 312277132 /nfs/dbraw/zinc/27/71/32/312277132.db2.gz WYKNPDCMVCQSBK-IBGZPJMESA-N 2 2 334.479 3.416 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334253 312277134 /nfs/dbraw/zinc/27/71/34/312277134.db2.gz WYKNPDCMVCQSBK-IBGZPJMESA-N 2 2 334.479 3.416 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334253 312277136 /nfs/dbraw/zinc/27/71/36/312277136.db2.gz WYKNPDCMVCQSBK-IBGZPJMESA-N 2 2 334.479 3.416 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334253 312277138 /nfs/dbraw/zinc/27/71/38/312277138.db2.gz WYKNPDCMVCQSBK-IBGZPJMESA-N 2 2 334.479 3.416 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000515497108 312285957 /nfs/dbraw/zinc/28/59/57/312285957.db2.gz TUAUYSWQOATDHV-OLMNPRSZSA-N 2 2 349.906 3.028 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000515673368 312294428 /nfs/dbraw/zinc/29/44/28/312294428.db2.gz WNKSVDRBBWNFJB-IBGZPJMESA-N 3 2 326.488 3.120 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000515673368 312294431 /nfs/dbraw/zinc/29/44/31/312294431.db2.gz WNKSVDRBBWNFJB-IBGZPJMESA-N 3 2 326.488 3.120 20 0 EGADLP C[C@@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000516906916 312349385 /nfs/dbraw/zinc/34/93/85/312349385.db2.gz NUTIIRDZRHATTN-KRWDZBQOSA-N 2 2 338.499 3.250 20 0 EGADLP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC000516931161 312351578 /nfs/dbraw/zinc/35/15/78/312351578.db2.gz ORBZCFRETXDTKX-KRWDZBQOSA-N 2 2 340.471 3.137 20 0 EGADLP Cc1[nH+]cc(CNc2cccc(-c3ccc4c(c3)OCCO4)[nH+]2)n1C ZINC000517041310 312360822 /nfs/dbraw/zinc/36/08/22/312360822.db2.gz MLEAENNZWZHCOO-UHFFFAOYSA-N 2 2 336.395 3.174 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527636538 312894957 /nfs/dbraw/zinc/89/49/57/312894957.db2.gz VTWXQSSLJBJWAA-UHFFFAOYSA-N 2 2 344.272 3.193 20 0 EGADLP C/C(Cl)=C\C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368703 313075145 /nfs/dbraw/zinc/07/51/45/313075145.db2.gz WACBJOKCAGLIPP-ROTVFRRXSA-N 2 2 348.922 3.058 20 0 EGADLP C/C(Cl)=C\C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368703 313075146 /nfs/dbraw/zinc/07/51/46/313075146.db2.gz WACBJOKCAGLIPP-ROTVFRRXSA-N 2 2 348.922 3.058 20 0 EGADLP COc1cccc([C@@H]2C[N@@H+](Cc3c[nH+]c(N(C)C)n3C)CC2(C)C)c1 ZINC000529642352 313376319 /nfs/dbraw/zinc/37/63/19/313376319.db2.gz VZMBZFGZXYYQJI-SFHVURJKSA-N 2 2 342.487 3.120 20 0 EGADLP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000534323701 313972078 /nfs/dbraw/zinc/97/20/78/313972078.db2.gz AXOLAEKRWYAVAU-UHFFFAOYSA-N 2 2 340.471 3.284 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000535764348 314070557 /nfs/dbraw/zinc/07/05/57/314070557.db2.gz VGSFVXUVTONPNR-SWLSCSKDSA-N 2 2 333.819 3.348 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000535764348 314070559 /nfs/dbraw/zinc/07/05/59/314070559.db2.gz VGSFVXUVTONPNR-SWLSCSKDSA-N 2 2 333.819 3.348 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000535848594 314080405 /nfs/dbraw/zinc/08/04/05/314080405.db2.gz KSMMWJHRYZZYNZ-VQIMIIECSA-N 2 2 333.439 3.423 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000535848594 314080410 /nfs/dbraw/zinc/08/04/10/314080410.db2.gz KSMMWJHRYZZYNZ-VQIMIIECSA-N 2 2 333.439 3.423 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000536069082 314092626 /nfs/dbraw/zinc/09/26/26/314092626.db2.gz SPCTTZLLZKGCNR-GFCCVEGCSA-N 2 2 331.370 3.154 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000536069082 314092629 /nfs/dbraw/zinc/09/26/29/314092629.db2.gz SPCTTZLLZKGCNR-GFCCVEGCSA-N 2 2 331.370 3.154 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536367406 314108966 /nfs/dbraw/zinc/10/89/66/314108966.db2.gz AVFBUTGCKNWNDA-BRWVUGGUSA-N 2 2 344.503 3.136 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000536594186 314128535 /nfs/dbraw/zinc/12/85/35/314128535.db2.gz DMILOHMFVIULMY-ZDUSSCGKSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000536594186 314128538 /nfs/dbraw/zinc/12/85/38/314128538.db2.gz DMILOHMFVIULMY-ZDUSSCGKSA-N 2 2 326.375 3.204 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832051 314148359 /nfs/dbraw/zinc/14/83/59/314148359.db2.gz IKLOCNHHAUGDNG-OXJNMPFZSA-N 2 2 349.482 3.001 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832051 314148361 /nfs/dbraw/zinc/14/83/61/314148361.db2.gz IKLOCNHHAUGDNG-OXJNMPFZSA-N 2 2 349.482 3.001 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000537296734 314173189 /nfs/dbraw/zinc/17/31/89/314173189.db2.gz WYQLKEZJUUXSJU-HZPDHXFCSA-N 2 2 330.472 3.411 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000540494310 314384574 /nfs/dbraw/zinc/38/45/74/314384574.db2.gz VRJQYZYOJGEWFB-VQTJNVASSA-N 2 2 343.515 3.237 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000540494310 314384579 /nfs/dbraw/zinc/38/45/79/314384579.db2.gz VRJQYZYOJGEWFB-VQTJNVASSA-N 2 2 343.515 3.237 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000545209002 314741474 /nfs/dbraw/zinc/74/14/74/314741474.db2.gz NALNWSXLTJCLNZ-GOSISDBHSA-N 2 2 346.515 3.242 20 0 EGADLP Brc1sccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000549038593 315071305 /nfs/dbraw/zinc/07/13/05/315071305.db2.gz KTNWJOBYSFFMDN-UHFFFAOYSA-N 2 2 329.307 3.475 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)[N@H+](C)C1CC1 ZINC000550121982 315117280 /nfs/dbraw/zinc/11/72/80/315117280.db2.gz DWMVLPFICNWSNZ-GXTWGEPZSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)[N@@H+](C)C1CC1 ZINC000550121982 315117283 /nfs/dbraw/zinc/11/72/83/315117283.db2.gz DWMVLPFICNWSNZ-GXTWGEPZSA-N 2 2 337.305 3.379 20 0 EGADLP Cc1ccccc1C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000551542014 315157857 /nfs/dbraw/zinc/15/78/57/315157857.db2.gz UWXITSSJTHXDOJ-WFXMLNOXSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000551559795 315159021 /nfs/dbraw/zinc/15/90/21/315159021.db2.gz YOIBOAIKRWPORI-IAGOWNOFSA-N 2 2 328.504 3.489 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000554697561 315343745 /nfs/dbraw/zinc/34/37/45/315343745.db2.gz WSYOUMDKGHXEGU-SFHVURJKSA-N 2 2 344.528 3.000 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000558621163 315584708 /nfs/dbraw/zinc/58/47/08/315584708.db2.gz PAGWUVJHLORIDP-QFBILLFUSA-N 2 2 329.488 3.156 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000558732620 315598499 /nfs/dbraw/zinc/59/84/99/315598499.db2.gz WPFKDXHLWBAITH-OAHLLOKOSA-N 2 2 329.469 3.174 20 0 EGADLP CCc1ccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000558752256 315600298 /nfs/dbraw/zinc/60/02/98/315600298.db2.gz MEWPBCKNJGSNTN-OAHLLOKOSA-N 2 2 343.496 3.428 20 0 EGADLP Cc1nc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000560375482 315680882 /nfs/dbraw/zinc/68/08/82/315680882.db2.gz UCSKAWCNNYLOAP-QAPCUYQASA-N 2 2 344.528 3.091 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)CCc3ccco3)c2cc1C ZINC000560913046 315731127 /nfs/dbraw/zinc/73/11/27/315731127.db2.gz FUCSJSCRYAVNAC-IRXDYDNUSA-N 2 2 341.455 3.218 20 0 EGADLP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1F ZINC000562019064 315795202 /nfs/dbraw/zinc/79/52/02/315795202.db2.gz DFCAFPUPJNELRQ-XJKSGUPXSA-N 2 2 328.859 3.488 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354672 316004791 /nfs/dbraw/zinc/00/47/91/316004791.db2.gz NSTRVNPYHQZOKF-JKSUJKDBSA-N 2 2 332.410 3.449 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354672 316004796 /nfs/dbraw/zinc/00/47/96/316004796.db2.gz NSTRVNPYHQZOKF-JKSUJKDBSA-N 2 2 332.410 3.449 20 0 EGADLP Cc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563668506 316053445 /nfs/dbraw/zinc/05/34/45/316053445.db2.gz ADQRSLGXRCPQBN-DLBZAZTESA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563668506 316053448 /nfs/dbraw/zinc/05/34/48/316053448.db2.gz ADQRSLGXRCPQBN-DLBZAZTESA-N 2 2 326.444 3.009 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000563724166 316061878 /nfs/dbraw/zinc/06/18/78/316061878.db2.gz SAPGDEMSCBXJIK-OAHLLOKOSA-N 2 2 344.421 3.197 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000563724166 316061881 /nfs/dbraw/zinc/06/18/81/316061881.db2.gz SAPGDEMSCBXJIK-OAHLLOKOSA-N 2 2 344.421 3.197 20 0 EGADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000563765645 316065778 /nfs/dbraw/zinc/06/57/78/316065778.db2.gz GOHIMCZAXCZNQV-QZTJIDSGSA-N 2 2 337.552 3.301 20 0 EGADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000563765645 316065781 /nfs/dbraw/zinc/06/57/81/316065781.db2.gz GOHIMCZAXCZNQV-QZTJIDSGSA-N 2 2 337.552 3.301 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000564434672 316151810 /nfs/dbraw/zinc/15/18/10/316151810.db2.gz LHFOUCWLTYONAZ-HBMCJLEFSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000564434672 316151815 /nfs/dbraw/zinc/15/18/15/316151815.db2.gz LHFOUCWLTYONAZ-HBMCJLEFSA-N 2 2 344.499 3.351 20 0 EGADLP c1cn2c(cccc2C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)[nH+]1 ZINC000564589130 316171866 /nfs/dbraw/zinc/17/18/66/316171866.db2.gz RJXGKQKKTCANEN-UHFFFAOYSA-N 2 2 344.422 3.080 20 0 EGADLP c1cn2c(cccc2C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)[nH+]1 ZINC000564589130 316171870 /nfs/dbraw/zinc/17/18/70/316171870.db2.gz RJXGKQKKTCANEN-UHFFFAOYSA-N 2 2 344.422 3.080 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]1 ZINC000565645264 316351578 /nfs/dbraw/zinc/35/15/78/316351578.db2.gz SSGSPLRHBVCFMZ-SMDDNHRTSA-N 2 2 349.276 3.069 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]1 ZINC000565880175 316382947 /nfs/dbraw/zinc/38/29/47/316382947.db2.gz LEMHJMMYDDYVLM-FZMZJTMJSA-N 2 2 349.276 3.069 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2(C)C)cn1 ZINC000565930260 316389187 /nfs/dbraw/zinc/38/91/87/316389187.db2.gz LKXIKAWAWGEIAR-IBGZPJMESA-N 2 2 335.455 3.231 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2(C)C)cn1 ZINC000565930260 316389190 /nfs/dbraw/zinc/38/91/90/316389190.db2.gz LKXIKAWAWGEIAR-IBGZPJMESA-N 2 2 335.455 3.231 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c2[nH+]ccn21 ZINC000565936603 316390292 /nfs/dbraw/zinc/39/02/92/316390292.db2.gz QEPWRMCWYIDFJJ-CVEARBPZSA-N 2 2 347.507 3.233 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)Oc2cccc(Br)c2)n1C ZINC000569259620 316889837 /nfs/dbraw/zinc/88/98/37/316889837.db2.gz GYXUISPVUYETDB-LLVKDONJSA-N 2 2 338.249 3.048 20 0 EGADLP COc1cccc(C2([NH2+]CCc3cc[nH+]cc3C)CCOCC2)c1F ZINC000570087015 317005665 /nfs/dbraw/zinc/00/56/65/317005665.db2.gz MIFBXQUTAOEJEG-UHFFFAOYSA-N 2 2 344.430 3.376 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507509 317065306 /nfs/dbraw/zinc/06/53/06/317065306.db2.gz MSKIGJCYYILMHR-JLTOFOAXSA-N 2 2 349.478 3.454 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889423 317120422 /nfs/dbraw/zinc/12/04/22/317120422.db2.gz XMXBDODHYFRWCP-SUMWQHHRSA-N 2 2 343.298 3.489 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889423 317120425 /nfs/dbraw/zinc/12/04/25/317120425.db2.gz XMXBDODHYFRWCP-SUMWQHHRSA-N 2 2 343.298 3.489 20 0 EGADLP C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000571038392 317142273 /nfs/dbraw/zinc/14/22/73/317142273.db2.gz SJRXBBIJKIEDKP-QRFRQXIXSA-N 2 2 337.467 3.344 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1)CC1CC1 ZINC000571044482 317144266 /nfs/dbraw/zinc/14/42/66/317144266.db2.gz YCZGRLRDIAVUDD-UHFFFAOYSA-N 2 2 345.535 3.027 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1)CC1CC1 ZINC000571044482 317144270 /nfs/dbraw/zinc/14/42/70/317144270.db2.gz YCZGRLRDIAVUDD-UHFFFAOYSA-N 2 2 345.535 3.027 20 0 EGADLP C[C@@H](C[NH2+]C[C@H](O)CCc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000571158808 317158556 /nfs/dbraw/zinc/15/85/56/317158556.db2.gz XLXDQPLLYVUJCW-GHTZIAJQSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@@H](C[NH2+]C[C@H](O)CCc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000571158808 317158559 /nfs/dbraw/zinc/15/85/59/317158559.db2.gz XLXDQPLLYVUJCW-GHTZIAJQSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H](O)CCc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000571158810 317158890 /nfs/dbraw/zinc/15/88/90/317158890.db2.gz XLXDQPLLYVUJCW-RXVVDRJESA-N 2 2 326.484 3.090 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H](O)CCc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000571158810 317158895 /nfs/dbraw/zinc/15/88/95/317158895.db2.gz XLXDQPLLYVUJCW-RXVVDRJESA-N 2 2 326.484 3.090 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cscn1 ZINC000571889483 317262722 /nfs/dbraw/zinc/26/27/22/317262722.db2.gz BZRALUNOGAOANR-SZVBFZGTSA-N 2 2 345.512 3.331 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cscn1 ZINC000571889483 317262725 /nfs/dbraw/zinc/26/27/25/317262725.db2.gz BZRALUNOGAOANR-SZVBFZGTSA-N 2 2 345.512 3.331 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000572310202 317319030 /nfs/dbraw/zinc/31/90/30/317319030.db2.gz YCJAOYKEYVNPEY-OUCADQQQSA-N 2 2 346.393 3.412 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000572310202 317319035 /nfs/dbraw/zinc/31/90/35/317319035.db2.gz YCJAOYKEYVNPEY-OUCADQQQSA-N 2 2 346.393 3.412 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000572478580 317344910 /nfs/dbraw/zinc/34/49/10/317344910.db2.gz RVUZMUYFRGZLAQ-SFHVURJKSA-N 2 2 338.499 3.150 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000572478580 317344915 /nfs/dbraw/zinc/34/49/15/317344915.db2.gz RVUZMUYFRGZLAQ-SFHVURJKSA-N 2 2 338.499 3.150 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ncc(Br)s1)C[NH+]1CCCC1 ZINC000179207655 323374932 /nfs/dbraw/zinc/37/49/32/323374932.db2.gz JOBNNSGPIIQTLR-MNOVXSKESA-N 2 2 332.311 3.288 20 0 EGADLP CC[NH+](CC(=O)NCC[N@@H+](CC)C(C)C)Cc1ccccc1Cl ZINC000352909165 456406523 /nfs/dbraw/zinc/40/65/23/456406523.db2.gz INQPUOUNJKDQHA-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CCN(CC)C(=O)CCC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180771200 323455140 /nfs/dbraw/zinc/45/51/40/323455140.db2.gz NTFQCSPQPSCPIU-UHFFFAOYSA-N 2 2 342.487 3.195 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C12CCC2 ZINC000181460992 323484140 /nfs/dbraw/zinc/48/41/40/323484140.db2.gz CSTMRLOMYHDGOF-OALUTQOASA-N 2 2 339.483 3.411 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C12CCC2 ZINC000181460974 323484179 /nfs/dbraw/zinc/48/41/79/323484179.db2.gz CSTMRLOMYHDGOF-RBUKOAKNSA-N 2 2 339.483 3.411 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000382471359 324251850 /nfs/dbraw/zinc/25/18/50/324251850.db2.gz PULIBHWCZZYCNS-QXSJWSMHSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000382471359 324251853 /nfs/dbraw/zinc/25/18/53/324251853.db2.gz PULIBHWCZZYCNS-QXSJWSMHSA-N 2 2 337.508 3.037 20 0 EGADLP CCc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC000386167089 324267019 /nfs/dbraw/zinc/26/70/19/324267019.db2.gz RNJVGDDADFUQBJ-RBUKOAKNSA-N 2 2 336.483 3.306 20 0 EGADLP CCc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC000386167089 324267023 /nfs/dbraw/zinc/26/70/23/324267023.db2.gz RNJVGDDADFUQBJ-RBUKOAKNSA-N 2 2 336.483 3.306 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000389874840 324280734 /nfs/dbraw/zinc/28/07/34/324280734.db2.gz SKASPALZTMGIED-ZKIDJSGLSA-N 2 2 328.500 3.300 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000389874840 324280738 /nfs/dbraw/zinc/28/07/38/324280738.db2.gz SKASPALZTMGIED-ZKIDJSGLSA-N 2 2 328.500 3.300 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459397620 324358900 /nfs/dbraw/zinc/35/89/00/324358900.db2.gz WZGBNRNYKZQWGT-UHFFFAOYSA-N 2 2 340.446 3.247 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000577501007 324818457 /nfs/dbraw/zinc/81/84/57/324818457.db2.gz OIGDYOTYVBODEN-OAGGEKHMSA-N 2 2 327.497 3.385 20 0 EGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000578981242 325045088 /nfs/dbraw/zinc/04/50/88/325045088.db2.gz IVUGHORYNYTFTK-BRWVUGGUSA-N 2 2 347.528 3.278 20 0 EGADLP COc1ccc2oc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000579127988 325067915 /nfs/dbraw/zinc/06/79/15/325067915.db2.gz LVVRHOIPORJNCF-KRWDZBQOSA-N 2 2 344.455 3.128 20 0 EGADLP COc1ccc2oc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000579127988 325067919 /nfs/dbraw/zinc/06/79/19/325067919.db2.gz LVVRHOIPORJNCF-KRWDZBQOSA-N 2 2 344.455 3.128 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1)C1CC1 ZINC000579364975 325100391 /nfs/dbraw/zinc/10/03/91/325100391.db2.gz IAIYZAGRAKRUNO-UHFFFAOYSA-N 2 2 326.444 3.059 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)COc2ccccc2C(F)(F)F)n1C ZINC000579853057 325168861 /nfs/dbraw/zinc/16/88/61/325168861.db2.gz AYRFRFLFLCOLJV-LLVKDONJSA-N 2 2 327.350 3.304 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@@H]([NH3+])Cc3ccccc3)cc2[nH+]c1C1CC1 ZINC000580552404 325266580 /nfs/dbraw/zinc/26/65/80/325266580.db2.gz RTEPGZPYNXCUOQ-INIZCTEOSA-N 2 2 348.450 3.349 20 0 EGADLP O[C@@H](C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000580934358 325310645 /nfs/dbraw/zinc/31/06/45/325310645.db2.gz RRTLPUMENWZMHV-QZTJIDSGSA-N 2 2 348.487 3.217 20 0 EGADLP [NH3+][C@@H]1C[C@@H](NCc2[nH+]ccn2CCc2ccccc2)c2ccccc21 ZINC000581661137 325380204 /nfs/dbraw/zinc/38/02/04/325380204.db2.gz OMNGEUWGSWXMPT-WOJBJXKFSA-N 2 2 332.451 3.360 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCC(C)CC1 ZINC000581879660 325395757 /nfs/dbraw/zinc/39/57/57/325395757.db2.gz UIWZAVAOMNQJSA-CQSZACIVSA-N 2 2 339.430 3.003 20 0 EGADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237795424 455219380 /nfs/dbraw/zinc/21/93/80/455219380.db2.gz COOUOANCUJFPMZ-CJNGLKHVSA-N 2 2 345.830 3.385 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1CC[NH3+] ZINC000404391872 457541588 /nfs/dbraw/zinc/54/15/88/457541588.db2.gz YLJHGMGKEMHHQL-ABAIWWIYSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1CC[NH3+] ZINC000404391872 457541592 /nfs/dbraw/zinc/54/15/92/457541592.db2.gz YLJHGMGKEMHHQL-ABAIWWIYSA-N 2 2 344.286 3.381 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000426332178 457805734 /nfs/dbraw/zinc/80/57/34/457805734.db2.gz QNDLRTQXDCXVNK-AWEZNQCLSA-N 2 2 328.909 3.479 20 0 EGADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Br)c1 ZINC000376769177 458387286 /nfs/dbraw/zinc/38/72/86/458387286.db2.gz QGJMRJYEJWCJMM-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP CCS[C@@H](C)c1noc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000531968236 459009289 /nfs/dbraw/zinc/00/92/89/459009289.db2.gz GIQCXTSSFOKJQU-AWEZNQCLSA-N 2 2 340.537 3.436 20 0 EGADLP CCS[C@@H](C)c1noc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000531968236 459009293 /nfs/dbraw/zinc/00/92/93/459009293.db2.gz GIQCXTSSFOKJQU-AWEZNQCLSA-N 2 2 340.537 3.436 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000157948236 455252263 /nfs/dbraw/zinc/25/22/63/455252263.db2.gz WWKYDYZDSCXMTR-KRWDZBQOSA-N 2 2 326.444 3.383 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000157948236 455252269 /nfs/dbraw/zinc/25/22/69/455252269.db2.gz WWKYDYZDSCXMTR-KRWDZBQOSA-N 2 2 326.444 3.383 20 0 EGADLP C[NH+](C)C1(C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)CC1 ZINC000616423548 460552054 /nfs/dbraw/zinc/55/20/54/460552054.db2.gz HNYNROOESFTUTP-UHFFFAOYSA-N 2 2 334.423 3.186 20 0 EGADLP CCSCC[C@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245454713 455305778 /nfs/dbraw/zinc/30/57/78/455305778.db2.gz SCDBWVFLUXBGFJ-DLBZAZTESA-N 2 2 349.544 3.478 20 0 EGADLP CCSCC[C@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245454713 455305782 /nfs/dbraw/zinc/30/57/82/455305782.db2.gz SCDBWVFLUXBGFJ-DLBZAZTESA-N 2 2 349.544 3.478 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575267 455334434 /nfs/dbraw/zinc/33/44/34/455334434.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575267 455334440 /nfs/dbraw/zinc/33/44/40/455334440.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575267 455334442 /nfs/dbraw/zinc/33/44/42/455334442.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575267 455334449 /nfs/dbraw/zinc/33/44/49/455334449.db2.gz HPSHPEBCRNMBCB-BHDDXSALSA-N 3 2 341.543 3.457 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1Cl ZINC000158896838 455335888 /nfs/dbraw/zinc/33/58/88/455335888.db2.gz GVYDZEOAWNFACZ-HIFRSBDPSA-N 2 2 328.859 3.223 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000245612244 455340999 /nfs/dbraw/zinc/34/09/99/455340999.db2.gz TXJROAUXBNHOMW-TUNNFDKTSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CC2 ZINC000245612244 455341001 /nfs/dbraw/zinc/34/10/01/455341001.db2.gz TXJROAUXBNHOMW-TUNNFDKTSA-N 2 2 336.479 3.207 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c(C(C)C)c1 ZINC000620278162 460601865 /nfs/dbraw/zinc/60/18/65/460601865.db2.gz WEVLTLGVXZRURC-UHFFFAOYSA-N 2 2 345.531 3.139 20 0 EGADLP Fc1ccccc1Oc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000605575922 460607056 /nfs/dbraw/zinc/60/70/56/460607056.db2.gz PMIGVGTZIYEPES-GJZGRUSLSA-N 2 2 330.378 3.408 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000017313843 453632928 /nfs/dbraw/zinc/63/29/28/453632928.db2.gz SSBFGDFSFRZGOB-UHFFFAOYSA-N 2 2 336.842 3.157 20 0 EGADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000600812067 460612973 /nfs/dbraw/zinc/61/29/73/460612973.db2.gz JQLGXQXWPKVVQT-LSSXRZCCSA-N 2 2 329.532 3.486 20 0 EGADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000600812067 460612980 /nfs/dbraw/zinc/61/29/80/460612980.db2.gz JQLGXQXWPKVVQT-LSSXRZCCSA-N 2 2 329.532 3.486 20 0 EGADLP COc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1OCc1ccccc1 ZINC000022872683 453700019 /nfs/dbraw/zinc/70/00/19/453700019.db2.gz WNVQOWSYBMTCAW-UHFFFAOYSA-N 2 2 340.467 3.460 20 0 EGADLP C[N@H+](CCC[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)C1CCCCC1 ZINC000030027280 453833521 /nfs/dbraw/zinc/83/35/21/453833521.db2.gz YSEBLRQCILUTBV-HXUWFJFHSA-N 2 2 343.515 3.251 20 0 EGADLP C[N@@H+](CCC[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)C1CCCCC1 ZINC000030027280 453833522 /nfs/dbraw/zinc/83/35/22/453833522.db2.gz YSEBLRQCILUTBV-HXUWFJFHSA-N 2 2 343.515 3.251 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571426 453890031 /nfs/dbraw/zinc/89/00/31/453890031.db2.gz DMHXBIAJOSSFQV-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571426 453890035 /nfs/dbraw/zinc/89/00/35/453890035.db2.gz DMHXBIAJOSSFQV-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571426 453890037 /nfs/dbraw/zinc/89/00/37/453890037.db2.gz DMHXBIAJOSSFQV-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571426 453890041 /nfs/dbraw/zinc/89/00/41/453890041.db2.gz DMHXBIAJOSSFQV-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000076004430 453948637 /nfs/dbraw/zinc/94/86/37/453948637.db2.gz MSBDOQUFNPHCHI-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000076004430 453948640 /nfs/dbraw/zinc/94/86/40/453948640.db2.gz MSBDOQUFNPHCHI-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP COc1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc(OC)c1O ZINC000076273711 453985389 /nfs/dbraw/zinc/98/53/89/453985389.db2.gz ZCWKATFZQYHPNL-UHFFFAOYSA-N 2 2 341.411 3.008 20 0 EGADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000068515549 454032813 /nfs/dbraw/zinc/03/28/13/454032813.db2.gz RHTNOMBLUYRENO-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000076898024 454047250 /nfs/dbraw/zinc/04/72/50/454047250.db2.gz IVOIDTFWVYBWBV-GFCCVEGCSA-N 2 2 348.821 3.142 20 0 EGADLP COC[C@@H](C)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000068840050 454059480 /nfs/dbraw/zinc/05/94/80/454059480.db2.gz USRVRBXXAPOJFM-MRXNPFEDSA-N 2 2 339.439 3.346 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccccc1 ZINC000077165607 454069564 /nfs/dbraw/zinc/06/95/64/454069564.db2.gz NHLDAKDCJCMGNP-KRWDZBQOSA-N 2 2 336.443 3.157 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000077249178 454082391 /nfs/dbraw/zinc/08/23/91/454082391.db2.gz QDECPKSONJDCJW-FQEVSTJZSA-N 2 2 345.531 3.306 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000077249178 454082393 /nfs/dbraw/zinc/08/23/93/454082393.db2.gz QDECPKSONJDCJW-FQEVSTJZSA-N 2 2 345.531 3.306 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000088721762 454117871 /nfs/dbraw/zinc/11/78/71/454117871.db2.gz GYFZVVLFMKLEHQ-XLIONFOSSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000088721762 454117873 /nfs/dbraw/zinc/11/78/73/454117873.db2.gz GYFZVVLFMKLEHQ-XLIONFOSSA-N 2 2 337.467 3.125 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000245994269 455411802 /nfs/dbraw/zinc/41/18/02/455411802.db2.gz DYMSNMHFWQACER-KBXCAEBGSA-N 2 2 326.431 3.362 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000245994269 455411805 /nfs/dbraw/zinc/41/18/05/455411805.db2.gz DYMSNMHFWQACER-KBXCAEBGSA-N 2 2 326.431 3.362 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000045135139 454141421 /nfs/dbraw/zinc/14/14/21/454141421.db2.gz KAVBPACFJGLMPM-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000045135139 454141424 /nfs/dbraw/zinc/14/14/24/454141424.db2.gz KAVBPACFJGLMPM-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000069833337 454150975 /nfs/dbraw/zinc/15/09/75/454150975.db2.gz SALZDIWAFLDLCM-CALCHBBNSA-N 2 2 328.456 3.487 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000069833337 454150978 /nfs/dbraw/zinc/15/09/78/454150978.db2.gz SALZDIWAFLDLCM-CALCHBBNSA-N 2 2 328.456 3.487 20 0 EGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077982187 454174030 /nfs/dbraw/zinc/17/40/30/454174030.db2.gz XMVDVEAIRIDKNI-UHFFFAOYSA-N 2 2 337.427 3.436 20 0 EGADLP Cc1cc2ccccc2[nH+]c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000095426277 454209067 /nfs/dbraw/zinc/20/90/67/454209067.db2.gz QMKAZJYEDZWSMJ-INIZCTEOSA-N 2 2 325.456 3.456 20 0 EGADLP Cc1cn2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2[nH+]1 ZINC000071540833 454209168 /nfs/dbraw/zinc/20/91/68/454209168.db2.gz MAHWNJPZRCBQGF-IBGZPJMESA-N 2 2 348.450 3.210 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000131439863 454253664 /nfs/dbraw/zinc/25/36/64/454253664.db2.gz ZHAGYYBEKUKSNG-AWEZNQCLSA-N 2 2 333.455 3.097 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000090047175 454266235 /nfs/dbraw/zinc/26/62/35/454266235.db2.gz VZRIXMXBNKJGBO-BZUAXINKSA-N 2 2 347.528 3.489 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131665747 454274521 /nfs/dbraw/zinc/27/45/21/454274521.db2.gz USEBYRFJWXXVKP-LPHOPBHVSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131665747 454274526 /nfs/dbraw/zinc/27/45/26/454274526.db2.gz USEBYRFJWXXVKP-LPHOPBHVSA-N 2 2 339.439 3.179 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000131723547 454280115 /nfs/dbraw/zinc/28/01/15/454280115.db2.gz MFUMNRWZHRPHJJ-MGPUTAFESA-N 2 2 332.463 3.388 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000131723547 454280116 /nfs/dbraw/zinc/28/01/16/454280116.db2.gz MFUMNRWZHRPHJJ-MGPUTAFESA-N 2 2 332.463 3.388 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090722831 454338103 /nfs/dbraw/zinc/33/81/03/454338103.db2.gz RBBWMRINTGRBEP-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090722831 454338104 /nfs/dbraw/zinc/33/81/04/454338104.db2.gz RBBWMRINTGRBEP-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721047 454338154 /nfs/dbraw/zinc/33/81/54/454338154.db2.gz NLSAKUZCNQEZIH-RISCZKNCSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721047 454338155 /nfs/dbraw/zinc/33/81/55/454338155.db2.gz NLSAKUZCNQEZIH-RISCZKNCSA-N 2 2 327.266 3.030 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965855 454372917 /nfs/dbraw/zinc/37/29/17/454372917.db2.gz IUDNOPIYJPUNBD-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965855 454372920 /nfs/dbraw/zinc/37/29/20/454372920.db2.gz IUDNOPIYJPUNBD-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965855 454372924 /nfs/dbraw/zinc/37/29/24/454372924.db2.gz IUDNOPIYJPUNBD-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965855 454372929 /nfs/dbraw/zinc/37/29/29/454372929.db2.gz IUDNOPIYJPUNBD-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP COc1cccc(C[C@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000120981172 454373051 /nfs/dbraw/zinc/37/30/51/454373051.db2.gz JWOWKXAEVCRGJZ-FVJLSDCUSA-N 2 2 346.515 3.105 20 0 EGADLP COc1cccc(C[C@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000120981172 454373054 /nfs/dbraw/zinc/37/30/54/454373054.db2.gz JWOWKXAEVCRGJZ-FVJLSDCUSA-N 2 2 346.515 3.105 20 0 EGADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000121716573 454469038 /nfs/dbraw/zinc/46/90/38/454469038.db2.gz RVULPKYZKDYDEH-HXUWFJFHSA-N 2 2 341.499 3.179 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000121716573 454469044 /nfs/dbraw/zinc/46/90/44/454469044.db2.gz RVULPKYZKDYDEH-HXUWFJFHSA-N 2 2 341.499 3.179 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000092043492 454508448 /nfs/dbraw/zinc/50/84/48/454508448.db2.gz JOHXLAOYUCBBNX-AEFFLSMTSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000092043492 454508451 /nfs/dbraw/zinc/50/84/51/454508451.db2.gz JOHXLAOYUCBBNX-AEFFLSMTSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1OC(C)C ZINC000092043492 454508453 /nfs/dbraw/zinc/50/84/53/454508453.db2.gz JOHXLAOYUCBBNX-AEFFLSMTSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1OC(C)C ZINC000092043492 454508456 /nfs/dbraw/zinc/50/84/56/454508456.db2.gz JOHXLAOYUCBBNX-AEFFLSMTSA-N 2 2 332.488 3.399 20 0 EGADLP c1cnn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cc2)c1 ZINC000048716792 454510903 /nfs/dbraw/zinc/51/09/03/454510903.db2.gz ZIRIUJXMRWBWQW-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1O ZINC000092587958 454591421 /nfs/dbraw/zinc/59/14/21/454591421.db2.gz DBAOVMWBWKTHDH-FUHWJXTLSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1O ZINC000092587958 454591423 /nfs/dbraw/zinc/59/14/23/454591423.db2.gz DBAOVMWBWKTHDH-FUHWJXTLSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1O ZINC000092587958 454591424 /nfs/dbraw/zinc/59/14/24/454591424.db2.gz DBAOVMWBWKTHDH-FUHWJXTLSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1O ZINC000092587958 454591427 /nfs/dbraw/zinc/59/14/27/454591427.db2.gz DBAOVMWBWKTHDH-FUHWJXTLSA-N 2 2 332.488 3.487 20 0 EGADLP C[N@H+](Cc1cccc2c[nH]nc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645224 454599491 /nfs/dbraw/zinc/59/94/91/454599491.db2.gz DOUXSHRDYYLIRY-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@@H+](Cc1cccc2c[nH]nc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645224 454599495 /nfs/dbraw/zinc/59/94/95/454599495.db2.gz DOUXSHRDYYLIRY-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000105896241 454667596 /nfs/dbraw/zinc/66/75/96/454667596.db2.gz PBMFAHXOFIDOCU-IRXDYDNUSA-N 2 2 340.471 3.418 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000105896241 454667599 /nfs/dbraw/zinc/66/75/99/454667599.db2.gz PBMFAHXOFIDOCU-IRXDYDNUSA-N 2 2 340.471 3.418 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)c1 ZINC000093079124 454678711 /nfs/dbraw/zinc/67/87/11/454678711.db2.gz URUOKUAKJQHKCV-RHSMWYFYSA-N 2 2 327.428 3.129 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1F ZINC000161599432 454707005 /nfs/dbraw/zinc/70/70/05/454707005.db2.gz RZEWTASPUGZDIC-MRXNPFEDSA-N 2 2 328.859 3.367 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(OC)c1 ZINC000152808122 454727448 /nfs/dbraw/zinc/72/74/48/454727448.db2.gz AHQQUGGBQWYEJK-CQSZACIVSA-N 2 2 329.444 3.130 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865685 454741283 /nfs/dbraw/zinc/74/12/83/454741283.db2.gz RRXMPYVVBWSNGW-IBGZPJMESA-N 2 2 334.423 3.433 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865685 454741290 /nfs/dbraw/zinc/74/12/90/454741290.db2.gz RRXMPYVVBWSNGW-IBGZPJMESA-N 2 2 334.423 3.433 20 0 EGADLP Cn1ccc([C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000635007947 460651735 /nfs/dbraw/zinc/65/17/35/460651735.db2.gz BSNIWMRGYWWPRP-WMZOPIPTSA-N 2 2 330.451 3.016 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000107293118 454750775 /nfs/dbraw/zinc/75/07/75/454750775.db2.gz JECBZXCCTJOZKY-IYBDPMFKSA-N 2 2 339.439 3.252 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000107293118 454750778 /nfs/dbraw/zinc/75/07/78/454750778.db2.gz JECBZXCCTJOZKY-IYBDPMFKSA-N 2 2 339.439 3.252 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124617399 454753675 /nfs/dbraw/zinc/75/36/75/454753675.db2.gz DKIUJFBIUSFMBW-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124617399 454753679 /nfs/dbraw/zinc/75/36/79/454753679.db2.gz DKIUJFBIUSFMBW-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2C1 ZINC000162195604 454758570 /nfs/dbraw/zinc/75/85/70/454758570.db2.gz FKALJYWSCOYFDE-OAHLLOKOSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2C1 ZINC000162195604 454758571 /nfs/dbraw/zinc/75/85/71/454758571.db2.gz FKALJYWSCOYFDE-OAHLLOKOSA-N 2 2 338.455 3.056 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000600938398 460652919 /nfs/dbraw/zinc/65/29/19/460652919.db2.gz QWCGGBYWLJPVDP-QGZVFWFLSA-N 2 2 326.444 3.186 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000600938398 460652922 /nfs/dbraw/zinc/65/29/22/460652922.db2.gz QWCGGBYWLJPVDP-QGZVFWFLSA-N 2 2 326.444 3.186 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCCc3ccccc3)c12 ZINC000162958295 454812291 /nfs/dbraw/zinc/81/22/91/454812291.db2.gz AEOJUFDBSYZCJL-UHFFFAOYSA-N 2 2 330.395 3.255 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C[C@@H](C)[NH2+]1 ZINC000153720974 454826243 /nfs/dbraw/zinc/82/62/43/454826243.db2.gz LOKXGACCMZIPIA-CHWSQXEVSA-N 2 2 345.830 3.350 20 0 EGADLP OCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCc2ccccc21 ZINC000177165731 454831480 /nfs/dbraw/zinc/83/14/80/454831480.db2.gz IUQAOUIFUSDJNJ-HXUWFJFHSA-N 2 2 348.450 3.139 20 0 EGADLP OCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCc2ccccc21 ZINC000177165731 454831484 /nfs/dbraw/zinc/83/14/84/454831484.db2.gz IUQAOUIFUSDJNJ-HXUWFJFHSA-N 2 2 348.450 3.139 20 0 EGADLP Cc1noc(C)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000153934782 454848685 /nfs/dbraw/zinc/84/86/85/454848685.db2.gz WVNZJOMYWZVWLY-UHFFFAOYSA-N 2 2 331.435 3.227 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000149456275 454876320 /nfs/dbraw/zinc/87/63/20/454876320.db2.gz LKLQSDSJFHOFKB-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000149456275 454876325 /nfs/dbraw/zinc/87/63/25/454876325.db2.gz LKLQSDSJFHOFKB-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000246384275 455481521 /nfs/dbraw/zinc/48/15/21/455481521.db2.gz AFBCIPZELCJBAP-HKUYNNGSSA-N 2 2 344.499 3.379 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150810231 454895555 /nfs/dbraw/zinc/89/55/55/454895555.db2.gz NJYUCROPDSKEOB-QUCCMNQESA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150810231 454895560 /nfs/dbraw/zinc/89/55/60/454895560.db2.gz NJYUCROPDSKEOB-QUCCMNQESA-N 2 2 343.515 3.062 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1OC1CCCC1 ZINC000165204536 454896172 /nfs/dbraw/zinc/89/61/72/454896172.db2.gz RRLFEZHKQMFECF-QAPCUYQASA-N 2 2 332.488 3.446 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1OC1CCCC1 ZINC000165204536 454896174 /nfs/dbraw/zinc/89/61/74/454896174.db2.gz RRLFEZHKQMFECF-QAPCUYQASA-N 2 2 332.488 3.446 20 0 EGADLP COc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000154576728 454909223 /nfs/dbraw/zinc/90/92/23/454909223.db2.gz ZJCXEOVLTJJFOR-XLIONFOSSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000154576728 454909226 /nfs/dbraw/zinc/90/92/26/454909226.db2.gz ZJCXEOVLTJJFOR-XLIONFOSSA-N 2 2 339.483 3.133 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@@H+]1C1CC1 ZINC000166316042 454911068 /nfs/dbraw/zinc/91/10/68/454911068.db2.gz CGALNZVALMOMKP-ANZKDXPISA-N 2 2 339.483 3.034 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@H+]1C1CC1 ZINC000166316042 454911071 /nfs/dbraw/zinc/91/10/71/454911071.db2.gz CGALNZVALMOMKP-ANZKDXPISA-N 2 2 339.483 3.034 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113933825 454939059 /nfs/dbraw/zinc/93/90/59/454939059.db2.gz ATYORBOREPPYPM-QYZOEREBSA-N 2 2 349.563 3.410 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000113933825 454939063 /nfs/dbraw/zinc/93/90/63/454939063.db2.gz ATYORBOREPPYPM-QYZOEREBSA-N 2 2 349.563 3.410 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113933825 454939067 /nfs/dbraw/zinc/93/90/67/454939067.db2.gz ATYORBOREPPYPM-QYZOEREBSA-N 2 2 349.563 3.410 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000113933825 454939071 /nfs/dbraw/zinc/93/90/71/454939071.db2.gz ATYORBOREPPYPM-QYZOEREBSA-N 2 2 349.563 3.410 20 0 EGADLP C[C@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127751082 454993931 /nfs/dbraw/zinc/99/39/31/454993931.db2.gz JGGQUQQVLXARRL-YJBOKZPZSA-N 2 2 341.459 3.060 20 0 EGADLP C[C@@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000127751292 454994261 /nfs/dbraw/zinc/99/42/61/454994261.db2.gz JGGQUQQVLXARRL-CRAIPNDOSA-N 2 2 341.459 3.060 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770749 455028828 /nfs/dbraw/zinc/02/88/28/455028828.db2.gz WUFOZTVDDYRBMS-KXBFYZLASA-N 2 2 344.524 3.435 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770749 455028831 /nfs/dbraw/zinc/02/88/31/455028831.db2.gz WUFOZTVDDYRBMS-KXBFYZLASA-N 2 2 344.524 3.435 20 0 EGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000155731467 455037922 /nfs/dbraw/zinc/03/79/22/455037922.db2.gz KYOASGWFBDSMFP-SNVBAGLBSA-N 2 2 347.312 3.437 20 0 EGADLP Cc1cc(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)nc(C(C)C)[nH+]1 ZINC000128505808 455062429 /nfs/dbraw/zinc/06/24/29/455062429.db2.gz ULLYKIKDMCBHMA-INIZCTEOSA-N 2 2 325.460 3.187 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc([S@@](C)=O)cc1 ZINC000152249959 455092516 /nfs/dbraw/zinc/09/25/16/455092516.db2.gz KUBXZAREVUFAHL-MYYSRTQBSA-N 2 2 339.464 3.461 20 0 EGADLP Brc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156405172 455115062 /nfs/dbraw/zinc/11/50/62/455115062.db2.gz OPTSUKFIPJJLMW-OAHLLOKOSA-N 2 2 333.229 3.497 20 0 EGADLP Brc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156405172 455115066 /nfs/dbraw/zinc/11/50/66/455115066.db2.gz OPTSUKFIPJJLMW-OAHLLOKOSA-N 2 2 333.229 3.497 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152457898 455122276 /nfs/dbraw/zinc/12/22/76/455122276.db2.gz JIJPDAHEEXLFIV-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152457898 455122280 /nfs/dbraw/zinc/12/22/80/455122280.db2.gz JIJPDAHEEXLFIV-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152457898 455122282 /nfs/dbraw/zinc/12/22/82/455122282.db2.gz JIJPDAHEEXLFIV-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152457898 455122284 /nfs/dbraw/zinc/12/22/84/455122284.db2.gz JIJPDAHEEXLFIV-IAGOWNOFSA-N 2 2 345.531 3.412 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156525507 455128903 /nfs/dbraw/zinc/12/89/03/455128903.db2.gz MSEIZVSCYANEOV-PBHICJAKSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156525507 455128905 /nfs/dbraw/zinc/12/89/05/455128905.db2.gz MSEIZVSCYANEOV-PBHICJAKSA-N 2 2 346.862 3.448 20 0 EGADLP C[N@@H+](Cc1cccc2nccn21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180197058 455147427 /nfs/dbraw/zinc/14/74/27/455147427.db2.gz QIWSQZSTAPHQGF-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cccc2nccn21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180197058 455147429 /nfs/dbraw/zinc/14/74/29/455147429.db2.gz QIWSQZSTAPHQGF-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2nccn21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180197058 455147431 /nfs/dbraw/zinc/14/74/31/455147431.db2.gz QIWSQZSTAPHQGF-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2nccn21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180197058 455147433 /nfs/dbraw/zinc/14/74/33/455147433.db2.gz QIWSQZSTAPHQGF-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000180422127 455166384 /nfs/dbraw/zinc/16/63/84/455166384.db2.gz GNFQMINIMDSYPG-HXUWFJFHSA-N 2 2 326.484 3.090 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000180422127 455166386 /nfs/dbraw/zinc/16/63/86/455166386.db2.gz GNFQMINIMDSYPG-HXUWFJFHSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237707001 455209941 /nfs/dbraw/zinc/20/99/41/455209941.db2.gz VIHIBBUZHJPDHK-PZJWPPBQSA-N 2 2 329.532 3.363 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000173619384 455317005 /nfs/dbraw/zinc/31/70/05/455317005.db2.gz ZICUWHPZJFKHIV-AWEZNQCLSA-N 2 2 335.517 3.198 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265489361 455333458 /nfs/dbraw/zinc/33/34/58/455333458.db2.gz MTRMNKXNZKAQIQ-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605185 455339762 /nfs/dbraw/zinc/33/97/62/455339762.db2.gz NBZREZWKNWYAKM-OKZBNKHCSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605185 455339766 /nfs/dbraw/zinc/33/97/66/455339766.db2.gz NBZREZWKNWYAKM-OKZBNKHCSA-N 2 2 334.508 3.097 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245717529 455362733 /nfs/dbraw/zinc/36/27/33/455362733.db2.gz UGTXIZRSHYNQMF-ZIFCJYIRSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000245717529 455362738 /nfs/dbraw/zinc/36/27/38/455362738.db2.gz UGTXIZRSHYNQMF-ZIFCJYIRSA-N 2 2 340.471 3.410 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000245994273 455411192 /nfs/dbraw/zinc/41/11/92/455411192.db2.gz DYMSNMHFWQACER-RDTXWAMCSA-N 2 2 326.431 3.362 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000245994273 455411198 /nfs/dbraw/zinc/41/11/98/455411198.db2.gz DYMSNMHFWQACER-RDTXWAMCSA-N 2 2 326.431 3.362 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000246115480 455429852 /nfs/dbraw/zinc/42/98/52/455429852.db2.gz QDBRZUNNRKRGCC-VHDGCEQUSA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000246115480 455429856 /nfs/dbraw/zinc/42/98/56/455429856.db2.gz QDBRZUNNRKRGCC-VHDGCEQUSA-N 2 2 331.416 3.215 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246196773 455446239 /nfs/dbraw/zinc/44/62/39/455446239.db2.gz LQDLNOQNUTYUAH-KBXCAEBGSA-N 2 2 339.418 3.495 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226577 455453778 /nfs/dbraw/zinc/45/37/78/455453778.db2.gz POXXWSWPTKMELU-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226577 455453783 /nfs/dbraw/zinc/45/37/83/455453783.db2.gz POXXWSWPTKMELU-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226577 455453784 /nfs/dbraw/zinc/45/37/84/455453784.db2.gz POXXWSWPTKMELU-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226577 455453789 /nfs/dbraw/zinc/45/37/89/455453789.db2.gz POXXWSWPTKMELU-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000266892887 455469563 /nfs/dbraw/zinc/46/95/63/455469563.db2.gz DKPVZSKRCGSABM-DZGCQCFKSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000266892887 455469569 /nfs/dbraw/zinc/46/95/69/455469569.db2.gz DKPVZSKRCGSABM-DZGCQCFKSA-N 2 2 346.862 3.120 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1nccn1C ZINC000182505233 455528152 /nfs/dbraw/zinc/52/81/52/455528152.db2.gz DPPQCTSRPTTZDE-SFHVURJKSA-N 2 2 330.451 3.265 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@@H]1OCCc2ccccc21 ZINC000267362587 455546400 /nfs/dbraw/zinc/54/64/00/455546400.db2.gz IOTBDZDTPFOJTI-IBGZPJMESA-N 2 2 334.423 3.013 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@@H]1OCCc2ccccc21 ZINC000267362587 455546404 /nfs/dbraw/zinc/54/64/04/455546404.db2.gz IOTBDZDTPFOJTI-IBGZPJMESA-N 2 2 334.423 3.013 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000182638295 455558405 /nfs/dbraw/zinc/55/84/05/455558405.db2.gz DIHNYMFZCNCWGG-RBUKOAKNSA-N 2 2 329.488 3.198 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692191 455569908 /nfs/dbraw/zinc/56/99/08/455569908.db2.gz GMQROGQQJHKOMY-DOTOQJQBSA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692191 455569912 /nfs/dbraw/zinc/56/99/12/455569912.db2.gz GMQROGQQJHKOMY-DOTOQJQBSA-N 2 2 332.517 3.435 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000247297558 455585349 /nfs/dbraw/zinc/58/53/49/455585349.db2.gz OKHBVFOPDXQGFI-CVEARBPZSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000247297558 455585351 /nfs/dbraw/zinc/58/53/51/455585351.db2.gz OKHBVFOPDXQGFI-CVEARBPZSA-N 2 2 334.460 3.243 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000247338923 455589417 /nfs/dbraw/zinc/58/94/17/455589417.db2.gz FZOVKKSIAJCDTK-AEFFLSMTSA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000247338923 455589419 /nfs/dbraw/zinc/58/94/19/455589419.db2.gz FZOVKKSIAJCDTK-AEFFLSMTSA-N 2 2 331.504 3.240 20 0 EGADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000271318724 455596045 /nfs/dbraw/zinc/59/60/45/455596045.db2.gz STORXBVKGHTPDU-CVEARBPZSA-N 2 2 340.471 3.084 20 0 EGADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000271318724 455596052 /nfs/dbraw/zinc/59/60/52/455596052.db2.gz STORXBVKGHTPDU-CVEARBPZSA-N 2 2 340.471 3.084 20 0 EGADLP COCCOc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000185684642 455597655 /nfs/dbraw/zinc/59/76/55/455597655.db2.gz YUJIWLSOHXCVLR-UTKZUKDTSA-N 2 2 342.483 3.493 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247462853 455604643 /nfs/dbraw/zinc/60/46/43/455604643.db2.gz INMXBXFBNJGSPK-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247462853 455604644 /nfs/dbraw/zinc/60/46/44/455604644.db2.gz INMXBXFBNJGSPK-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP C[C@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)Cn1cc[nH+]c1 ZINC000284022425 455625514 /nfs/dbraw/zinc/62/55/14/455625514.db2.gz QRNSDMJWISXRCG-OAHLLOKOSA-N 2 2 343.862 3.207 20 0 EGADLP C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCn1cc[nH+]c1 ZINC000292323840 455629894 /nfs/dbraw/zinc/62/98/94/455629894.db2.gz VYNMIVQCQWZUHV-CZUORRHYSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCn1cc[nH+]c1 ZINC000292323840 455629895 /nfs/dbraw/zinc/62/98/95/455629895.db2.gz VYNMIVQCQWZUHV-CZUORRHYSA-N 2 2 339.361 3.364 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247643851 455632229 /nfs/dbraw/zinc/63/22/29/455632229.db2.gz UBOQWRDLGHHLJR-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247643851 455632236 /nfs/dbraw/zinc/63/22/36/455632236.db2.gz UBOQWRDLGHHLJR-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC000284137873 455641721 /nfs/dbraw/zinc/64/17/21/455641721.db2.gz VWAFFZFCOUSUNI-ZNFPLGDCSA-N 2 2 338.455 3.203 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCSc3ccc(F)cc32)C[C@@H](C)O1 ZINC000247967001 455662135 /nfs/dbraw/zinc/66/21/35/455662135.db2.gz IDVRRBMOXYKQQJ-CPUCHLNUSA-N 2 2 338.492 3.452 20 0 EGADLP C[N@H+](CCC1CCOCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284302132 455665697 /nfs/dbraw/zinc/66/56/97/455665697.db2.gz ZFHAPLFBNKPYEC-OAQYLSRUSA-N 2 2 346.515 3.026 20 0 EGADLP C[N@@H+](CCC1CCOCC1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284302132 455665701 /nfs/dbraw/zinc/66/57/01/455665701.db2.gz ZFHAPLFBNKPYEC-OAQYLSRUSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](CCC1CCOCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284302132 455665705 /nfs/dbraw/zinc/66/57/05/455665705.db2.gz ZFHAPLFBNKPYEC-OAQYLSRUSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](CCC1CCOCC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284302132 455665712 /nfs/dbraw/zinc/66/57/12/455665712.db2.gz ZFHAPLFBNKPYEC-OAQYLSRUSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000248862679 455735290 /nfs/dbraw/zinc/73/52/90/455735290.db2.gz MMTFILBRNJEIQM-YLJYHZDGSA-N 2 2 344.499 3.345 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000248862679 455735294 /nfs/dbraw/zinc/73/52/94/455735294.db2.gz MMTFILBRNJEIQM-YLJYHZDGSA-N 2 2 344.499 3.345 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950650 455741782 /nfs/dbraw/zinc/74/17/82/455741782.db2.gz VBVIJVJBZLHUID-HUUCEWRRSA-N 2 2 347.503 3.451 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950650 455741787 /nfs/dbraw/zinc/74/17/87/455741787.db2.gz VBVIJVJBZLHUID-HUUCEWRRSA-N 2 2 347.503 3.451 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780761 455755903 /nfs/dbraw/zinc/75/59/03/455755903.db2.gz ZBDLJVIVJUZFLE-HIFRSBDPSA-N 2 2 343.427 3.265 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780761 455755907 /nfs/dbraw/zinc/75/59/07/455755907.db2.gz ZBDLJVIVJUZFLE-HIFRSBDPSA-N 2 2 343.427 3.265 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCc3ccccc32)CC1 ZINC000271803559 455766127 /nfs/dbraw/zinc/76/61/27/455766127.db2.gz LSKNAXLMRVJTFW-SFHVURJKSA-N 2 2 344.499 3.114 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000278194102 455783310 /nfs/dbraw/zinc/78/33/10/455783310.db2.gz FQGWZYLFLNZTED-GFCCVEGCSA-N 2 2 327.384 3.075 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)o1 ZINC000278213570 455787637 /nfs/dbraw/zinc/78/76/37/455787637.db2.gz IFDGNINHGVMCFT-QGZVFWFLSA-N 2 2 341.499 3.495 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cc(Br)cs1)C[NH+]1CCOCC1 ZINC000194049606 455795386 /nfs/dbraw/zinc/79/53/86/455795386.db2.gz DJKZHYYOEILGMZ-NEPJUHHUSA-N 2 2 347.322 3.130 20 0 EGADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000269142650 455798143 /nfs/dbraw/zinc/79/81/43/455798143.db2.gz MTVWRSVWQTYHQZ-UHFFFAOYSA-N 2 2 340.471 3.233 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@@H]1C(F)(F)F ZINC000629654828 460849083 /nfs/dbraw/zinc/84/90/83/460849083.db2.gz IOYULYJJTURFHH-AAEUAGOBSA-N 2 2 333.423 3.370 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1O ZINC000278295043 455809297 /nfs/dbraw/zinc/80/92/97/455809297.db2.gz CXLWLOZFVJZZNT-CRAIPNDOSA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1O ZINC000278295043 455809300 /nfs/dbraw/zinc/80/93/00/455809300.db2.gz CXLWLOZFVJZZNT-CRAIPNDOSA-N 2 2 332.488 3.328 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CC[C@@H]1C(F)(F)F ZINC000629654828 460849092 /nfs/dbraw/zinc/84/90/92/460849092.db2.gz IOYULYJJTURFHH-AAEUAGOBSA-N 2 2 333.423 3.370 20 0 EGADLP COc1ccnc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285489373 455857383 /nfs/dbraw/zinc/85/73/83/455857383.db2.gz INTAIJVDVZTFFV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccnc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285489373 455857387 /nfs/dbraw/zinc/85/73/87/455857387.db2.gz INTAIJVDVZTFFV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccnc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489373 455857388 /nfs/dbraw/zinc/85/73/88/455857388.db2.gz INTAIJVDVZTFFV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccnc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489373 455857389 /nfs/dbraw/zinc/85/73/89/455857389.db2.gz INTAIJVDVZTFFV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489373 455857393 /nfs/dbraw/zinc/85/73/93/455857393.db2.gz INTAIJVDVZTFFV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489373 455857394 /nfs/dbraw/zinc/85/73/94/455857394.db2.gz INTAIJVDVZTFFV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000270093952 455875363 /nfs/dbraw/zinc/87/53/63/455875363.db2.gz AYKGMVWVBPYSAH-GOSISDBHSA-N 2 2 348.450 3.448 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000270093952 455875367 /nfs/dbraw/zinc/87/53/67/455875367.db2.gz AYKGMVWVBPYSAH-GOSISDBHSA-N 2 2 348.450 3.448 20 0 EGADLP COc1c(O)cccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000272220530 455881044 /nfs/dbraw/zinc/88/10/44/455881044.db2.gz BWFQUNJOPXOXFP-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COc1c(O)cccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000272220530 455881047 /nfs/dbraw/zinc/88/10/47/455881047.db2.gz BWFQUNJOPXOXFP-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCS2 ZINC000187229718 455884367 /nfs/dbraw/zinc/88/43/67/455884367.db2.gz SXWDPWDVCFFJKP-KSSFIOAISA-N 2 2 334.529 3.398 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cncc(F)c1 ZINC000272314161 455910681 /nfs/dbraw/zinc/91/06/81/455910681.db2.gz UIKTUFUURGTIGT-AWEZNQCLSA-N 2 2 343.450 3.319 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000195031959 455915229 /nfs/dbraw/zinc/91/52/29/455915229.db2.gz REBVPPVNTNLFKP-WMZOPIPTSA-N 2 2 341.503 3.384 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000195031959 455915233 /nfs/dbraw/zinc/91/52/33/455915233.db2.gz REBVPPVNTNLFKP-WMZOPIPTSA-N 2 2 341.503 3.384 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626934 455916146 /nfs/dbraw/zinc/91/61/46/455916146.db2.gz CPEVYYLJYHHHDU-YLJYHZDGSA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626934 455916151 /nfs/dbraw/zinc/91/61/51/455916151.db2.gz CPEVYYLJYHHHDU-YLJYHZDGSA-N 2 2 349.494 3.090 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC000270313205 455926606 /nfs/dbraw/zinc/92/66/06/455926606.db2.gz JFAGJENDDNTMNZ-SFHVURJKSA-N 2 2 348.450 3.108 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000270313205 455926609 /nfs/dbraw/zinc/92/66/09/455926609.db2.gz JFAGJENDDNTMNZ-SFHVURJKSA-N 2 2 348.450 3.108 20 0 EGADLP Cc1noc(CCC[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270314454 455926792 /nfs/dbraw/zinc/92/67/92/455926792.db2.gz JIWGOAIIRISSDO-MRXNPFEDSA-N 2 2 339.443 3.133 20 0 EGADLP Cc1noc(CCC[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270314454 455926794 /nfs/dbraw/zinc/92/67/94/455926794.db2.gz JIWGOAIIRISSDO-MRXNPFEDSA-N 2 2 339.443 3.133 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745239 455939937 /nfs/dbraw/zinc/93/99/37/455939937.db2.gz PQFJCGRRRIMIBW-IERDGZPVSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745239 455939943 /nfs/dbraw/zinc/93/99/43/455939943.db2.gz PQFJCGRRRIMIBW-IERDGZPVSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000261757331 455942132 /nfs/dbraw/zinc/94/21/32/455942132.db2.gz QRYAKDGXKATTAJ-IBGZPJMESA-N 2 2 345.874 3.485 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000261757331 455942137 /nfs/dbraw/zinc/94/21/37/455942137.db2.gz QRYAKDGXKATTAJ-IBGZPJMESA-N 2 2 345.874 3.485 20 0 EGADLP CC(C)n1nccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000280330865 455948565 /nfs/dbraw/zinc/94/85/65/455948565.db2.gz PZPNTTTYIQFIKV-UHFFFAOYSA-N 2 2 342.491 3.002 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000187900261 455967133 /nfs/dbraw/zinc/96/71/33/455967133.db2.gz YKIJZTVYGXIECH-RTWAWAEBSA-N 2 2 346.515 3.163 20 0 EGADLP CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000261920431 455971701 /nfs/dbraw/zinc/97/17/01/455971701.db2.gz KJBFXARXJGAFIH-ZDUSSCGKSA-N 2 2 348.878 3.200 20 0 EGADLP CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000261920431 455971705 /nfs/dbraw/zinc/97/17/05/455971705.db2.gz KJBFXARXJGAFIH-ZDUSSCGKSA-N 2 2 348.878 3.200 20 0 EGADLP Cc1ccnc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000286075457 455972670 /nfs/dbraw/zinc/97/26/70/455972670.db2.gz LFVYTNZTYILQFY-RDJZCZTQSA-N 2 2 325.460 3.098 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000262030997 455987773 /nfs/dbraw/zinc/98/77/73/455987773.db2.gz OCIDICVNYGXPKK-RDTXWAMCSA-N 2 2 326.440 3.150 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000262030997 455987775 /nfs/dbraw/zinc/98/77/75/455987775.db2.gz OCIDICVNYGXPKK-RDTXWAMCSA-N 2 2 326.440 3.150 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@@H+]1C1CC1 ZINC000623756253 460707255 /nfs/dbraw/zinc/70/72/55/460707255.db2.gz UGHHCHPOWPZENX-BPLDGKMQSA-N 2 2 337.870 3.273 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@H+]1C1CC1 ZINC000623756253 460707261 /nfs/dbraw/zinc/70/72/61/460707261.db2.gz UGHHCHPOWPZENX-BPLDGKMQSA-N 2 2 337.870 3.273 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000296747663 456028092 /nfs/dbraw/zinc/02/80/92/456028092.db2.gz PLQKDXIRZYQVMC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000296747663 456028098 /nfs/dbraw/zinc/02/80/98/456028098.db2.gz PLQKDXIRZYQVMC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000296747663 456028102 /nfs/dbraw/zinc/02/81/02/456028102.db2.gz PLQKDXIRZYQVMC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000296747663 456028106 /nfs/dbraw/zinc/02/81/06/456028106.db2.gz PLQKDXIRZYQVMC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272667238 456032274 /nfs/dbraw/zinc/03/22/74/456032274.db2.gz JHZQLYOOCFQKNA-QGZVFWFLSA-N 2 2 343.437 3.296 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)C[NH2+]CC4CC4)cc3)[nH+]c12 ZINC000262656147 456051065 /nfs/dbraw/zinc/05/10/65/456051065.db2.gz MMSKJZXLXXLJQY-UHFFFAOYSA-N 2 2 334.423 3.248 20 0 EGADLP CCc1cc(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)nc(C)[nH+]1 ZINC000301379320 456102849 /nfs/dbraw/zinc/10/28/49/456102849.db2.gz ZFTITJCEPYCOKI-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP CCc1cc(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)nc(C)[nH+]1 ZINC000301379320 456102854 /nfs/dbraw/zinc/10/28/54/456102854.db2.gz ZFTITJCEPYCOKI-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271051327 456113066 /nfs/dbraw/zinc/11/30/66/456113066.db2.gz WAHTZSYCVRMJFS-UHFFFAOYSA-N 2 2 326.488 3.485 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271051327 456113069 /nfs/dbraw/zinc/11/30/69/456113069.db2.gz WAHTZSYCVRMJFS-UHFFFAOYSA-N 2 2 326.488 3.485 20 0 EGADLP CCOc1c(OC)cc(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000281188160 456157547 /nfs/dbraw/zinc/15/75/47/456157547.db2.gz ICKKACHYTRPKMC-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000281188160 456157550 /nfs/dbraw/zinc/15/75/50/456157550.db2.gz ICKKACHYTRPKMC-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H](O)c1c(F)cccc1F ZINC000271204910 456171207 /nfs/dbraw/zinc/17/12/07/456171207.db2.gz BYKDCIQAWRNUQC-QAPCUYQASA-N 2 2 331.366 3.214 20 0 EGADLP COc1cccc2c(N[C@H](C)[C@H](C)[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000301669167 456179917 /nfs/dbraw/zinc/17/99/17/456179917.db2.gz MYJKIQOTOOXBAK-CABCVRRESA-N 2 2 329.444 3.073 20 0 EGADLP CCOc1cc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)ccc1O ZINC000263718551 456201402 /nfs/dbraw/zinc/20/14/02/456201402.db2.gz APBRECLLFQZBFC-UHFFFAOYSA-N 2 2 325.412 3.239 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1F ZINC000301753807 456207077 /nfs/dbraw/zinc/20/70/77/456207077.db2.gz CCQGCFVIPVBKRE-UHFFFAOYSA-N 2 2 348.385 3.457 20 0 EGADLP O=C(NCC[N@H+]1CC=CCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000281355749 456211190 /nfs/dbraw/zinc/21/11/90/456211190.db2.gz LECDFWWFJNVBDR-UHFFFAOYSA-N 2 2 338.411 3.257 20 0 EGADLP O=C(NCC[N@@H+]1CC=CCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000281355749 456211197 /nfs/dbraw/zinc/21/11/97/456211197.db2.gz LECDFWWFJNVBDR-UHFFFAOYSA-N 2 2 338.411 3.257 20 0 EGADLP c1cc(C[NH2+][C@@H]2CCC23CCCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC000189085452 456221557 /nfs/dbraw/zinc/22/15/57/456221557.db2.gz NOWUODXHHIZNCY-HXUWFJFHSA-N 2 2 344.499 3.210 20 0 EGADLP c1nc(NC2CC[NH+](CC3CCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000301839163 456230502 /nfs/dbraw/zinc/23/05/02/456230502.db2.gz XGKBTHMLYVPVSB-UHFFFAOYSA-N 2 2 329.492 3.365 20 0 EGADLP c1nc(NCC2CC2)cc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC000301839163 456230504 /nfs/dbraw/zinc/23/05/04/456230504.db2.gz XGKBTHMLYVPVSB-UHFFFAOYSA-N 2 2 329.492 3.365 20 0 EGADLP Fc1cccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)c1 ZINC000301849740 456232688 /nfs/dbraw/zinc/23/26/88/456232688.db2.gz AQKMUMUVIODEAH-GOSISDBHSA-N 2 2 340.402 3.187 20 0 EGADLP Cc1cccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)c1 ZINC000301893199 456242870 /nfs/dbraw/zinc/24/28/70/456242870.db2.gz SGXDASIFYAHIPW-IBGZPJMESA-N 2 2 336.439 3.357 20 0 EGADLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000333714082 456252328 /nfs/dbraw/zinc/25/23/28/456252328.db2.gz STGLRDZEHQMEHW-MSOLQXFVSA-N 2 2 329.419 3.097 20 0 EGADLP Cc1ccc([C@H](CNc2nc(C(C)C)[nH+]c(N(C)C)n2)[NH+](C)C)cc1 ZINC000301994719 456266353 /nfs/dbraw/zinc/26/63/53/456266353.db2.gz OBSDHKAZDAZRDE-INIZCTEOSA-N 2 2 342.491 3.084 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073760 456279747 /nfs/dbraw/zinc/27/97/47/456279747.db2.gz VGPKHEBNGFXACZ-JKSUJKDBSA-N 2 2 339.487 3.303 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073760 456279750 /nfs/dbraw/zinc/27/97/50/456279750.db2.gz VGPKHEBNGFXACZ-JKSUJKDBSA-N 2 2 339.487 3.303 20 0 EGADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070427 456279846 /nfs/dbraw/zinc/27/98/46/456279846.db2.gz DYCSMMQENONMQJ-DNVCBOLYSA-N 2 2 326.488 3.117 20 0 EGADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070427 456279848 /nfs/dbraw/zinc/27/98/48/456279848.db2.gz DYCSMMQENONMQJ-DNVCBOLYSA-N 2 2 326.488 3.117 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2ccc3occc3c2)[N@H+](Cc2ccccc2)C1 ZINC000352758746 456281666 /nfs/dbraw/zinc/28/16/66/456281666.db2.gz IDPOCOUOHPGEKW-PMACEKPBSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2ccc3occc3c2)[N@@H+](Cc2ccccc2)C1 ZINC000352758746 456281672 /nfs/dbraw/zinc/28/16/72/456281672.db2.gz IDPOCOUOHPGEKW-PMACEKPBSA-N 2 2 336.435 3.158 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(-n2cccn2)c1 ZINC000352761459 456283559 /nfs/dbraw/zinc/28/35/59/456283559.db2.gz XPTGHKOZCYSFBF-CQSZACIVSA-N 2 2 341.484 3.241 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000352765775 456286908 /nfs/dbraw/zinc/28/69/08/456286908.db2.gz SBNRCAJKYOCFBF-ZDUSSCGKSA-N 2 2 349.500 3.381 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275691051 456287840 /nfs/dbraw/zinc/28/78/40/456287840.db2.gz WYHNULLFDJFVOZ-KUHUBIRLSA-N 2 2 325.412 3.485 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1F ZINC000340171697 456289083 /nfs/dbraw/zinc/28/90/83/456289083.db2.gz LWBDJXNTXXXMLL-QGZVFWFLSA-N 2 2 342.462 3.084 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336793174 456310397 /nfs/dbraw/zinc/31/03/97/456310397.db2.gz VSGIFKFSCNWJOI-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336793174 456310401 /nfs/dbraw/zinc/31/04/01/456310401.db2.gz VSGIFKFSCNWJOI-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336793174 456310404 /nfs/dbraw/zinc/31/04/04/456310404.db2.gz VSGIFKFSCNWJOI-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336793174 456310407 /nfs/dbraw/zinc/31/04/07/456310407.db2.gz VSGIFKFSCNWJOI-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP CCCCOc1ncccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352812482 456329899 /nfs/dbraw/zinc/32/98/99/456329899.db2.gz FMPDDTXNAJUBMI-UHFFFAOYSA-N 2 2 334.489 3.068 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000297965668 456334064 /nfs/dbraw/zinc/33/40/64/456334064.db2.gz WTADIENUHLQSNM-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000297965668 456334069 /nfs/dbraw/zinc/33/40/69/456334069.db2.gz WTADIENUHLQSNM-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000297965668 456334074 /nfs/dbraw/zinc/33/40/74/456334074.db2.gz WTADIENUHLQSNM-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000297965668 456334079 /nfs/dbraw/zinc/33/40/79/456334079.db2.gz WTADIENUHLQSNM-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744125 456343807 /nfs/dbraw/zinc/34/38/07/456343807.db2.gz RJQQORZSXRWWCV-GHTZIAJQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744125 456343814 /nfs/dbraw/zinc/34/38/14/456343814.db2.gz RJQQORZSXRWWCV-GHTZIAJQSA-N 3 2 329.532 3.348 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000340275565 456356124 /nfs/dbraw/zinc/35/61/24/456356124.db2.gz FBSRTMFFSSULFI-UYAOXDASSA-N 2 2 330.520 3.023 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000340275565 456356133 /nfs/dbraw/zinc/35/61/33/456356133.db2.gz FBSRTMFFSSULFI-UYAOXDASSA-N 2 2 330.520 3.023 20 0 EGADLP COCc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c2cc(F)ccc2[nH+]1 ZINC000290544214 456359759 /nfs/dbraw/zinc/35/97/59/456359759.db2.gz ISHZPTBAHBWYCY-AWEZNQCLSA-N 2 2 331.435 3.298 20 0 EGADLP COCc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c2cc(F)ccc2[nH+]1 ZINC000290544214 456359764 /nfs/dbraw/zinc/35/97/64/456359764.db2.gz ISHZPTBAHBWYCY-AWEZNQCLSA-N 2 2 331.435 3.298 20 0 EGADLP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000302624294 456367050 /nfs/dbraw/zinc/36/70/50/456367050.db2.gz FDAZNVHLLBAELX-HNNXBMFYSA-N 2 2 330.451 3.059 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000281933529 456367205 /nfs/dbraw/zinc/36/72/05/456367205.db2.gz HOOCWRSNXGCBGQ-UHFFFAOYSA-N 2 2 340.493 3.064 20 0 EGADLP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000340334013 456396298 /nfs/dbraw/zinc/39/62/98/456396298.db2.gz MAEZXINLUBPQTE-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP CC[NH+](CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl)C(C)C ZINC000352909165 456406504 /nfs/dbraw/zinc/40/65/04/456406504.db2.gz INQPUOUNJKDQHA-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[NH+](CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl)C(C)C ZINC000352909165 456406510 /nfs/dbraw/zinc/40/65/10/456406510.db2.gz INQPUOUNJKDQHA-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[NH+](CC(=O)NCC[N@H+](CC)C(C)C)Cc1ccccc1Cl ZINC000352909165 456406518 /nfs/dbraw/zinc/40/65/18/456406518.db2.gz INQPUOUNJKDQHA-UHFFFAOYSA-N 2 2 339.911 3.008 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000352909128 456406628 /nfs/dbraw/zinc/40/66/28/456406628.db2.gz YHLGITURAMCEMH-LBPRGKRZSA-N 2 2 339.270 3.361 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340373381 456422182 /nfs/dbraw/zinc/42/21/82/456422182.db2.gz NKFNZVRMVXXTNW-QUCCMNQESA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340373381 456422190 /nfs/dbraw/zinc/42/21/90/456422190.db2.gz NKFNZVRMVXXTNW-QUCCMNQESA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000340375479 456423524 /nfs/dbraw/zinc/42/35/24/456423524.db2.gz IRLPXSVFYFMAOW-OAHLLOKOSA-N 2 2 340.427 3.432 20 0 EGADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000340375479 456423529 /nfs/dbraw/zinc/42/35/29/456423529.db2.gz IRLPXSVFYFMAOW-OAHLLOKOSA-N 2 2 340.427 3.432 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@H]1c1ccccc1 ZINC000340381392 456426580 /nfs/dbraw/zinc/42/65/80/456426580.db2.gz XELFLIFWHYYMJH-CTNGQTDRSA-N 2 2 349.478 3.348 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@H]1c1ccccc1 ZINC000340381392 456426585 /nfs/dbraw/zinc/42/65/85/456426585.db2.gz XELFLIFWHYYMJH-CTNGQTDRSA-N 2 2 349.478 3.348 20 0 EGADLP C[C@H](CNc1cc(N2CCCC2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000302883108 456426839 /nfs/dbraw/zinc/42/68/39/456426839.db2.gz JHCXQSXURGVAKZ-MRXNPFEDSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@H](CNc1cc(N2CCCC2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000302883108 456426845 /nfs/dbraw/zinc/42/68/45/456426845.db2.gz JHCXQSXURGVAKZ-MRXNPFEDSA-N 2 2 325.460 3.009 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)n1 ZINC000340390405 456433148 /nfs/dbraw/zinc/43/31/48/456433148.db2.gz RAPATTSVVOYOEO-ROUUACIJSA-N 2 2 341.455 3.024 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)n1 ZINC000340390405 456433152 /nfs/dbraw/zinc/43/31/52/456433152.db2.gz RAPATTSVVOYOEO-ROUUACIJSA-N 2 2 341.455 3.024 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000282195363 456440177 /nfs/dbraw/zinc/44/01/77/456440177.db2.gz NPYVKBJYJXJHBT-IEZWGBDMSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000282195363 456440184 /nfs/dbraw/zinc/44/01/84/456440184.db2.gz NPYVKBJYJXJHBT-IEZWGBDMSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1C ZINC000282223615 456447685 /nfs/dbraw/zinc/44/76/85/456447685.db2.gz PACLTUZXWRFXQC-LNLFQRSKSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1C ZINC000282223615 456447687 /nfs/dbraw/zinc/44/76/87/456447687.db2.gz PACLTUZXWRFXQC-LNLFQRSKSA-N 2 2 326.488 3.432 20 0 EGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077858 456460394 /nfs/dbraw/zinc/46/03/94/456460394.db2.gz PLBRXBOJNGWVBM-DQYPLSBCSA-N 2 2 343.298 3.368 20 0 EGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077858 456460399 /nfs/dbraw/zinc/46/03/99/456460399.db2.gz PLBRXBOJNGWVBM-DQYPLSBCSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077858 456460400 /nfs/dbraw/zinc/46/04/00/456460400.db2.gz PLBRXBOJNGWVBM-DQYPLSBCSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077858 456460403 /nfs/dbraw/zinc/46/04/03/456460403.db2.gz PLBRXBOJNGWVBM-DQYPLSBCSA-N 2 2 343.298 3.368 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298470147 456466677 /nfs/dbraw/zinc/46/66/77/456466677.db2.gz REQQOFIWURBETG-CYBMUJFWSA-N 2 2 342.487 3.463 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353083327 456478070 /nfs/dbraw/zinc/47/80/70/456478070.db2.gz RANKQWQVCTXFGZ-LPHOPBHVSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353083327 456478073 /nfs/dbraw/zinc/47/80/73/456478073.db2.gz RANKQWQVCTXFGZ-LPHOPBHVSA-N 2 2 325.456 3.058 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504062 456496827 /nfs/dbraw/zinc/49/68/27/456496827.db2.gz GCCGFIAAURUASY-GTCCEBARSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504062 456496834 /nfs/dbraw/zinc/49/68/34/456496834.db2.gz GCCGFIAAURUASY-GTCCEBARSA-N 2 2 336.479 3.244 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000348220734 456544189 /nfs/dbraw/zinc/54/41/89/456544189.db2.gz CFTUESNVJAOBNI-JKSUJKDBSA-N 2 2 330.394 3.396 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+]1CCCC1 ZINC000340585123 456547727 /nfs/dbraw/zinc/54/77/27/456547727.db2.gz WDSYKJSJAJBWFW-HIFRSBDPSA-N 2 2 329.271 3.027 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337796408 456551886 /nfs/dbraw/zinc/55/18/86/456551886.db2.gz GHEMOVXTRXKHAA-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337796408 456551892 /nfs/dbraw/zinc/55/18/92/456551892.db2.gz GHEMOVXTRXKHAA-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP C[C@H]([NH2+]C[C@](C)(CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348253372 456572689 /nfs/dbraw/zinc/57/26/89/456572689.db2.gz DXYSJHYPWDUZAG-LAUBAEHRSA-N 2 2 335.451 3.473 20 0 EGADLP Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348304720 456609202 /nfs/dbraw/zinc/60/92/02/456609202.db2.gz IGEDBOPBCFNPGK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1nc2ccccn2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348304720 456609210 /nfs/dbraw/zinc/60/92/10/456609210.db2.gz IGEDBOPBCFNPGK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1nc2ccccn2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348304720 456609216 /nfs/dbraw/zinc/60/92/16/456609216.db2.gz IGEDBOPBCFNPGK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1nc2ccccn2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348304720 456609224 /nfs/dbraw/zinc/60/92/24/456609224.db2.gz IGEDBOPBCFNPGK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000282754911 456615530 /nfs/dbraw/zinc/61/55/30/456615530.db2.gz NYDVZZWEKNESDL-ZIFCJYIRSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754911 456615537 /nfs/dbraw/zinc/61/55/37/456615537.db2.gz NYDVZZWEKNESDL-ZIFCJYIRSA-N 2 2 326.488 3.290 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335495 456632434 /nfs/dbraw/zinc/63/24/34/456632434.db2.gz QTOLJNRDJICYBK-CDXJDZJCSA-N 2 2 345.531 3.291 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335495 456632444 /nfs/dbraw/zinc/63/24/44/456632444.db2.gz QTOLJNRDJICYBK-CDXJDZJCSA-N 2 2 345.531 3.291 20 0 EGADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443081 456637475 /nfs/dbraw/zinc/63/74/75/456637475.db2.gz WFVAISWZBLUCBF-IAGOWNOFSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443081 456637483 /nfs/dbraw/zinc/63/74/83/456637483.db2.gz WFVAISWZBLUCBF-IAGOWNOFSA-N 2 2 335.879 3.275 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000282992489 456683017 /nfs/dbraw/zinc/68/30/17/456683017.db2.gz FQWATWDAAWFGNS-WEFJBSGNSA-N 2 2 342.483 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c2ccccc21 ZINC000282992489 456683023 /nfs/dbraw/zinc/68/30/23/456683023.db2.gz FQWATWDAAWFGNS-WEFJBSGNSA-N 2 2 342.483 3.241 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000353426291 456692704 /nfs/dbraw/zinc/69/27/04/456692704.db2.gz IZDUDVUSYDFNCM-BEFAXECRSA-N 2 2 340.471 3.335 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@H]1c1ccnn1C(C)C ZINC000348486613 456711519 /nfs/dbraw/zinc/71/15/19/456711519.db2.gz ZJSSGXMZNQYKNC-PKOBYXMFSA-N 2 2 328.460 3.220 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCC(=O)N2 ZINC000353497480 456717601 /nfs/dbraw/zinc/71/76/01/456717601.db2.gz OTFCSRDPGBCOBD-AWEZNQCLSA-N 2 2 348.406 3.054 20 0 EGADLP CC(C)C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000353503442 456721108 /nfs/dbraw/zinc/72/11/08/456721108.db2.gz VCXSDLBAOCFZTP-AEFFLSMTSA-N 2 2 342.487 3.224 20 0 EGADLP CC(C)N(C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000299545956 456724161 /nfs/dbraw/zinc/72/41/61/456724161.db2.gz JVFYPCSVBOWQJO-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP CC(C)N(C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000299545956 456724164 /nfs/dbraw/zinc/72/41/64/456724164.db2.gz JVFYPCSVBOWQJO-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000353513093 456726461 /nfs/dbraw/zinc/72/64/61/456726461.db2.gz FAFGXEYYHXMEQJ-AWEZNQCLSA-N 2 2 348.406 3.054 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccncc2OCC(F)(F)F)CC1 ZINC000343593654 456729994 /nfs/dbraw/zinc/72/99/94/456729994.db2.gz IZAJJKKHBBAZMU-UHFFFAOYSA-N 2 2 345.409 3.375 20 0 EGADLP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000353521920 456732994 /nfs/dbraw/zinc/73/29/94/456732994.db2.gz QYACWDBQNOMMPI-QIPRVMPFSA-N 2 2 325.456 3.459 20 0 EGADLP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000353521920 456732999 /nfs/dbraw/zinc/73/29/99/456732999.db2.gz QYACWDBQNOMMPI-QIPRVMPFSA-N 2 2 325.456 3.459 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000299602455 456740838 /nfs/dbraw/zinc/74/08/38/456740838.db2.gz VXFSSRPUXSHKIM-PXNSSMCTSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000299602455 456740844 /nfs/dbraw/zinc/74/08/44/456740844.db2.gz VXFSSRPUXSHKIM-PXNSSMCTSA-N 2 2 334.479 3.303 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771663 456772228 /nfs/dbraw/zinc/77/22/28/456772228.db2.gz RGGBMGAIEPYELD-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771663 456772235 /nfs/dbraw/zinc/77/22/35/456772235.db2.gz RGGBMGAIEPYELD-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343771663 456772237 /nfs/dbraw/zinc/77/22/37/456772237.db2.gz RGGBMGAIEPYELD-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000299727524 456775435 /nfs/dbraw/zinc/77/54/35/456775435.db2.gz VJFLVRMBFXIBIL-UHFFFAOYSA-N 2 2 345.834 3.151 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000299727524 456775439 /nfs/dbraw/zinc/77/54/39/456775439.db2.gz VJFLVRMBFXIBIL-UHFFFAOYSA-N 2 2 345.834 3.151 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344289400 456812836 /nfs/dbraw/zinc/81/28/36/456812836.db2.gz KSKVCTYXUYTWQU-UYAOXDASSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344289400 456812842 /nfs/dbraw/zinc/81/28/42/456812842.db2.gz KSKVCTYXUYTWQU-UYAOXDASSA-N 2 2 330.516 3.429 20 0 EGADLP COc1ccc([C@@H](C[NH+](C)C)NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000341215980 456822408 /nfs/dbraw/zinc/82/24/08/456822408.db2.gz RYAIJVAPGLFQAG-LJQANCHMSA-N 2 2 338.455 3.044 20 0 EGADLP Cc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nc[nH+]1 ZINC000301231048 456827707 /nfs/dbraw/zinc/82/77/07/456827707.db2.gz HQMOFTVOMNONOH-HOTGVXAUSA-N 2 2 326.444 3.006 20 0 EGADLP CCOC(=O)[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000353653109 456832925 /nfs/dbraw/zinc/83/29/25/456832925.db2.gz SJPFAKCTPUPCPS-HXUWFJFHSA-N 2 2 338.451 3.485 20 0 EGADLP CCOC(=O)[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000353653109 456832931 /nfs/dbraw/zinc/83/29/31/456832931.db2.gz SJPFAKCTPUPCPS-HXUWFJFHSA-N 2 2 338.451 3.485 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000353655676 456834513 /nfs/dbraw/zinc/83/45/13/456834513.db2.gz YTHGAYRUHJXYJI-SFHVURJKSA-N 2 2 331.504 3.197 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000353655676 456834516 /nfs/dbraw/zinc/83/45/16/456834516.db2.gz YTHGAYRUHJXYJI-SFHVURJKSA-N 2 2 331.504 3.197 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000353664586 456841615 /nfs/dbraw/zinc/84/16/15/456841615.db2.gz YFTIVSZPMQTMHJ-IBGZPJMESA-N 2 2 326.488 3.357 20 0 EGADLP CCC1CCC([NH2+][C@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)CC1 ZINC000344823149 456864062 /nfs/dbraw/zinc/86/40/62/456864062.db2.gz HORAKQLLRKVFAR-OVSDUUTQSA-N 2 2 344.503 3.173 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c[nH+]1 ZINC000338948888 456869256 /nfs/dbraw/zinc/86/92/56/456869256.db2.gz KOJSUWLABIMUDQ-LJQANCHMSA-N 2 2 338.455 3.219 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c[nH+]1 ZINC000338948886 456869851 /nfs/dbraw/zinc/86/98/51/456869851.db2.gz KOJSUWLABIMUDQ-IBGZPJMESA-N 2 2 338.455 3.219 20 0 EGADLP Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000341516104 456873087 /nfs/dbraw/zinc/87/30/87/456873087.db2.gz OXENEOOEWASWBV-UHFFFAOYSA-N 2 2 340.446 3.300 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189244 456880385 /nfs/dbraw/zinc/88/03/85/456880385.db2.gz RERYFJSWBLHRHX-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189244 456880388 /nfs/dbraw/zinc/88/03/88/456880388.db2.gz RERYFJSWBLHRHX-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189244 456880393 /nfs/dbraw/zinc/88/03/93/456880393.db2.gz RERYFJSWBLHRHX-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000292189244 456880396 /nfs/dbraw/zinc/88/03/96/456880396.db2.gz RERYFJSWBLHRHX-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c(C(C)C)nc2s1 ZINC000353777487 456902507 /nfs/dbraw/zinc/90/25/07/456902507.db2.gz AXHXMFXWFRLPAS-HNNXBMFYSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c(C(C)C)nc2s1 ZINC000353777487 456902512 /nfs/dbraw/zinc/90/25/12/456902512.db2.gz AXHXMFXWFRLPAS-HNNXBMFYSA-N 2 2 347.532 3.140 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000339073806 456927505 /nfs/dbraw/zinc/92/75/05/456927505.db2.gz FITPQWPMSXVACL-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000339073806 456927506 /nfs/dbraw/zinc/92/75/06/456927506.db2.gz FITPQWPMSXVACL-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cccc([C@H](C[NH2+]CCCc2ccc(C)[nH+]c2)N(C)C)c1 ZINC000353925758 456968257 /nfs/dbraw/zinc/96/82/57/456968257.db2.gz FQSRJUKGRPARNG-FQEVSTJZSA-N 2 2 327.472 3.224 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC000339184553 456982319 /nfs/dbraw/zinc/98/23/19/456982319.db2.gz PJAMQNFVGJQHSF-UHFFFAOYSA-N 2 2 348.450 3.377 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)O[C@H](C)C2 ZINC000354033648 457021297 /nfs/dbraw/zinc/02/12/97/457021297.db2.gz MNSYUDJKPZRKHD-RDTXWAMCSA-N 2 2 340.423 3.067 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)O[C@H](C)C2 ZINC000354033648 457021303 /nfs/dbraw/zinc/02/13/03/457021303.db2.gz MNSYUDJKPZRKHD-RDTXWAMCSA-N 2 2 340.423 3.067 20 0 EGADLP CCOCc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000354032576 457022543 /nfs/dbraw/zinc/02/25/43/457022543.db2.gz BZQBKDKJFDKEFO-LJQANCHMSA-N 2 2 342.439 3.280 20 0 EGADLP CCOCc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000354032576 457022550 /nfs/dbraw/zinc/02/25/50/457022550.db2.gz BZQBKDKJFDKEFO-LJQANCHMSA-N 2 2 342.439 3.280 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356577492 457064708 /nfs/dbraw/zinc/06/47/08/457064708.db2.gz NGNDZKNENWXINZ-SLFFLAALSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356577492 457064714 /nfs/dbraw/zinc/06/47/14/457064714.db2.gz NGNDZKNENWXINZ-SLFFLAALSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356577492 457064719 /nfs/dbraw/zinc/06/47/19/457064719.db2.gz NGNDZKNENWXINZ-SLFFLAALSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356577492 457064725 /nfs/dbraw/zinc/06/47/25/457064725.db2.gz NGNDZKNENWXINZ-SLFFLAALSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1sccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000339371218 457072731 /nfs/dbraw/zinc/07/27/31/457072731.db2.gz DNRDLENRVSAERH-LJQANCHMSA-N 2 2 330.497 3.437 20 0 EGADLP Cc1sccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000339371218 457072735 /nfs/dbraw/zinc/07/27/35/457072735.db2.gz DNRDLENRVSAERH-LJQANCHMSA-N 2 2 330.497 3.437 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c[nH+]1 ZINC000354174825 457111047 /nfs/dbraw/zinc/11/10/47/457111047.db2.gz OUFAAZPFZMOURE-LJQANCHMSA-N 2 2 325.456 3.132 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209595 457131873 /nfs/dbraw/zinc/13/18/73/457131873.db2.gz QMMVTHSVELRBDR-IHPCNDPISA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209595 457131875 /nfs/dbraw/zinc/13/18/75/457131875.db2.gz QMMVTHSVELRBDR-IHPCNDPISA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209595 457131876 /nfs/dbraw/zinc/13/18/76/457131876.db2.gz QMMVTHSVELRBDR-IHPCNDPISA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209595 457131878 /nfs/dbraw/zinc/13/18/78/457131878.db2.gz QMMVTHSVELRBDR-IHPCNDPISA-N 2 2 345.531 3.449 20 0 EGADLP COC(=O)[C@]12C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]1CCCC2 ZINC000342166601 457145551 /nfs/dbraw/zinc/14/55/51/457145551.db2.gz ZMXAMBNELPKTDL-YLJYHZDGSA-N 2 2 339.439 3.038 20 0 EGADLP COC(=O)[C@]12C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]1CCCC2 ZINC000342166601 457145555 /nfs/dbraw/zinc/14/55/55/457145555.db2.gz ZMXAMBNELPKTDL-YLJYHZDGSA-N 2 2 339.439 3.038 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ncc(Br)s1)CCC2 ZINC000359949115 457165291 /nfs/dbraw/zinc/16/52/91/457165291.db2.gz KEHAJDWWOZMUPN-JTQLQIEISA-N 2 2 341.278 3.078 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000356865304 457185968 /nfs/dbraw/zinc/18/59/68/457185968.db2.gz LIPAPAQKVLCHSP-POAQFYNOSA-N 2 2 332.488 3.237 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045464 457200783 /nfs/dbraw/zinc/20/07/83/457200783.db2.gz NSBKPFUBNHMFMS-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045464 457200789 /nfs/dbraw/zinc/20/07/89/457200789.db2.gz NSBKPFUBNHMFMS-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000360028569 457212048 /nfs/dbraw/zinc/21/20/48/457212048.db2.gz GFIOVTPQUZLVMS-CVEARBPZSA-N 2 2 343.475 3.496 20 0 EGADLP CCC[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC000347142669 457254157 /nfs/dbraw/zinc/25/41/57/457254157.db2.gz XCCUOTDGIWKBCZ-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CC[NH2+]C1 ZINC000347142669 457254162 /nfs/dbraw/zinc/25/41/62/457254162.db2.gz XCCUOTDGIWKBCZ-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354515502 457266738 /nfs/dbraw/zinc/26/67/38/457266738.db2.gz SUEMKAKJAKBCIB-MDNKFWRPSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354515502 457266740 /nfs/dbraw/zinc/26/67/40/457266740.db2.gz SUEMKAKJAKBCIB-MDNKFWRPSA-N 2 2 344.499 3.218 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CCSCC1 ZINC000354547328 457281998 /nfs/dbraw/zinc/28/19/98/457281998.db2.gz KWDVRIFKTXBUHL-PBHICJAKSA-N 2 2 334.533 3.166 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000363300099 457287580 /nfs/dbraw/zinc/28/75/80/457287580.db2.gz XUOJLLKKFWSDKD-INIZCTEOSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000363300099 457287587 /nfs/dbraw/zinc/28/75/87/457287587.db2.gz XUOJLLKKFWSDKD-INIZCTEOSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc[nH+]1 ZINC000347218299 457293461 /nfs/dbraw/zinc/29/34/61/457293461.db2.gz HPOUWADYGBWERA-UHFFFAOYSA-N 2 2 334.414 3.446 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000360495466 457316940 /nfs/dbraw/zinc/31/69/40/457316940.db2.gz LKLDQHBYCVXZBY-HXUWFJFHSA-N 2 2 345.450 3.457 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357098288 457320455 /nfs/dbraw/zinc/32/04/55/457320455.db2.gz AHSDEYWTVNYWQT-HZPDHXFCSA-N 2 2 344.890 3.184 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357098288 457320463 /nfs/dbraw/zinc/32/04/63/457320463.db2.gz AHSDEYWTVNYWQT-HZPDHXFCSA-N 2 2 344.890 3.184 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C[N@@H+]1C ZINC000352016822 457332653 /nfs/dbraw/zinc/33/26/53/457332653.db2.gz ZYWPYQFAFKYDLQ-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C[N@H+]1C ZINC000352016822 457332661 /nfs/dbraw/zinc/33/26/61/457332661.db2.gz ZYWPYQFAFKYDLQ-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP CCC[N@@H+]1CC[C@@H](CNc2cc(COC)[nH+]c3ccc(F)cc23)C1 ZINC000357180636 457362148 /nfs/dbraw/zinc/36/21/48/457362148.db2.gz GQRBFCJDWGAEGA-AWEZNQCLSA-N 2 2 331.435 3.086 20 0 EGADLP CCC[N@H+]1CC[C@@H](CNc2cc(COC)[nH+]c3ccc(F)cc23)C1 ZINC000357180636 457362151 /nfs/dbraw/zinc/36/21/51/457362151.db2.gz GQRBFCJDWGAEGA-AWEZNQCLSA-N 2 2 331.435 3.086 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000390112961 457434908 /nfs/dbraw/zinc/43/49/08/457434908.db2.gz UUDFFXBVSAQNTF-CCKFTAQKSA-N 2 2 332.875 3.264 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000390112961 457434911 /nfs/dbraw/zinc/43/49/11/457434911.db2.gz UUDFFXBVSAQNTF-CCKFTAQKSA-N 2 2 332.875 3.264 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000352535451 457446350 /nfs/dbraw/zinc/44/63/50/457446350.db2.gz QSIZGYMECCGQBV-AWEZNQCLSA-N 2 2 326.868 3.451 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000352535451 457446352 /nfs/dbraw/zinc/44/63/52/457446352.db2.gz QSIZGYMECCGQBV-AWEZNQCLSA-N 2 2 326.868 3.451 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352540836 457451050 /nfs/dbraw/zinc/45/10/50/457451050.db2.gz QDJGHNSRHKBLRY-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352540836 457451055 /nfs/dbraw/zinc/45/10/55/457451055.db2.gz QDJGHNSRHKBLRY-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCOCC(F)(F)F)[nH+]1 ZINC000369901445 457451101 /nfs/dbraw/zinc/45/11/01/457451101.db2.gz VTYPVZXDRBEHMQ-AWEZNQCLSA-N 2 2 331.382 3.235 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCOCC(F)(F)F)[nH+]1 ZINC000369901445 457451104 /nfs/dbraw/zinc/45/11/04/457451104.db2.gz VTYPVZXDRBEHMQ-AWEZNQCLSA-N 2 2 331.382 3.235 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352545124 457453928 /nfs/dbraw/zinc/45/39/28/457453928.db2.gz GDZQGACPERHGJS-GOSISDBHSA-N 2 2 340.414 3.262 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC(F)F ZINC000352545124 457453933 /nfs/dbraw/zinc/45/39/33/457453933.db2.gz GDZQGACPERHGJS-GOSISDBHSA-N 2 2 340.414 3.262 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(NC(C)=O)n1 ZINC000360947171 457455019 /nfs/dbraw/zinc/45/50/19/457455019.db2.gz LYUYIMOMLFARMP-HOCLYGCPSA-N 2 2 338.521 3.092 20 0 EGADLP Cc1ccc(OC2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)cc1C ZINC000425326800 457499836 /nfs/dbraw/zinc/49/98/36/457499836.db2.gz OHOBLTVTCUPDBY-UHFFFAOYSA-N 2 2 342.487 3.146 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)CCC2 ZINC000364160143 457504740 /nfs/dbraw/zinc/50/47/40/457504740.db2.gz ZPZLMKPFCHMYIU-DOTOQJQBSA-N 2 2 339.418 3.310 20 0 EGADLP Cc1cc(N2CC[NH+](CCc3cccs3)CC2)nc(C(C)C)[nH+]1 ZINC000352696403 457537465 /nfs/dbraw/zinc/53/74/65/457537465.db2.gz LQUVTVHEMPIAEW-UHFFFAOYSA-N 2 2 330.501 3.335 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000404262247 457540992 /nfs/dbraw/zinc/54/09/92/457540992.db2.gz DXZMHWVLNXHURN-WFASDCNBSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000404262247 457540994 /nfs/dbraw/zinc/54/09/94/457540994.db2.gz DXZMHWVLNXHURN-WFASDCNBSA-N 2 2 334.851 3.339 20 0 EGADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000361063739 457558229 /nfs/dbraw/zinc/55/82/29/457558229.db2.gz VCDUPVBQEPYHCE-SFHVURJKSA-N 2 2 348.535 3.409 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)n2c1 ZINC000342861212 457564177 /nfs/dbraw/zinc/56/41/77/457564177.db2.gz MERKHJMZUHQSIS-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)[C@H](Cc4ccccc4)C3)n2c1 ZINC000342861212 457564183 /nfs/dbraw/zinc/56/41/83/457564183.db2.gz MERKHJMZUHQSIS-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP CCCOc1cccc2c(N3CCN(c4[nH]cc[nH+]4)CC3)cc[nH+]c12 ZINC000357684413 457654430 /nfs/dbraw/zinc/65/44/30/457654430.db2.gz XKPJEOFNTSXBKJ-UHFFFAOYSA-N 2 2 337.427 3.073 20 0 EGADLP Cc1noc(C2(C)CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000364701121 457676323 /nfs/dbraw/zinc/67/63/23/457676323.db2.gz ZFNJBQLUYSMSRP-UHFFFAOYSA-N 2 2 337.427 3.117 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000361277282 457676932 /nfs/dbraw/zinc/67/69/32/457676932.db2.gz YCKNUUKHLSSLAU-QGZVFWFLSA-N 2 2 348.535 3.367 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000361277282 457676937 /nfs/dbraw/zinc/67/69/37/457676937.db2.gz YCKNUUKHLSSLAU-QGZVFWFLSA-N 2 2 348.535 3.367 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000357771367 457683884 /nfs/dbraw/zinc/68/38/84/457683884.db2.gz KYJWJTPCFTZRAL-IAGOWNOFSA-N 2 2 340.471 3.173 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000357771367 457683888 /nfs/dbraw/zinc/68/38/88/457683888.db2.gz KYJWJTPCFTZRAL-IAGOWNOFSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000361308729 457687546 /nfs/dbraw/zinc/68/75/46/457687546.db2.gz MBFXEHQSWQHISY-IAGOWNOFSA-N 2 2 349.544 3.218 20 0 EGADLP Fc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000364765161 457689821 /nfs/dbraw/zinc/68/98/21/457689821.db2.gz ULQWDPAGVZXJGA-LJQANCHMSA-N 2 2 341.430 3.299 20 0 EGADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912516 457732197 /nfs/dbraw/zinc/73/21/97/457732197.db2.gz XSZACTNBURYAHA-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912516 457732199 /nfs/dbraw/zinc/73/21/99/457732199.db2.gz XSZACTNBURYAHA-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912516 457732202 /nfs/dbraw/zinc/73/22/02/457732202.db2.gz XSZACTNBURYAHA-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912516 457732205 /nfs/dbraw/zinc/73/22/05/457732205.db2.gz XSZACTNBURYAHA-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP Fc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1F ZINC000358118579 457796298 /nfs/dbraw/zinc/79/62/98/457796298.db2.gz BYEQEYKVRYEFTQ-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000358124419 457801119 /nfs/dbraw/zinc/80/11/19/457801119.db2.gz NEPJYQKXACVSCS-CYBMUJFWSA-N 2 2 345.830 3.303 20 0 EGADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000358124419 457801126 /nfs/dbraw/zinc/80/11/26/457801126.db2.gz NEPJYQKXACVSCS-CYBMUJFWSA-N 2 2 345.830 3.303 20 0 EGADLP Cc1ccc2c(c1C)OC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358132802 457806165 /nfs/dbraw/zinc/80/61/65/457806165.db2.gz OWEPDRROMLBPIF-FQEVSTJZSA-N 2 2 337.467 3.386 20 0 EGADLP Fc1cccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1F ZINC000358134876 457807062 /nfs/dbraw/zinc/80/70/62/457807062.db2.gz BLKONGFTINMCGO-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCCn3cc[nH+]c31)CC2 ZINC000366450144 457812364 /nfs/dbraw/zinc/81/23/64/457812364.db2.gz OUYLNRWFLDHOOS-HOCLYGCPSA-N 2 2 327.428 3.055 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1Cl ZINC000444000516 457837712 /nfs/dbraw/zinc/83/77/12/457837712.db2.gz GVOXYIKSGJZLDQ-OALUTQOASA-N 2 2 344.886 3.373 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1Cl ZINC000444000516 457837718 /nfs/dbraw/zinc/83/77/18/457837718.db2.gz GVOXYIKSGJZLDQ-OALUTQOASA-N 2 2 344.886 3.373 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366543822 457846354 /nfs/dbraw/zinc/84/63/54/457846354.db2.gz JUUFMXBKSYZQGS-KDOFPFPSSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366543822 457846360 /nfs/dbraw/zinc/84/63/60/457846360.db2.gz JUUFMXBKSYZQGS-KDOFPFPSSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366543822 457846367 /nfs/dbraw/zinc/84/63/67/457846367.db2.gz JUUFMXBKSYZQGS-KDOFPFPSSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366543822 457846371 /nfs/dbraw/zinc/84/63/71/457846371.db2.gz JUUFMXBKSYZQGS-KDOFPFPSSA-N 2 2 335.879 3.003 20 0 EGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758212 457879901 /nfs/dbraw/zinc/87/99/01/457879901.db2.gz KHYSCYFKOQLBOK-SJLPKXTDSA-N 2 2 331.504 3.462 20 0 EGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758212 457879906 /nfs/dbraw/zinc/87/99/06/457879906.db2.gz KHYSCYFKOQLBOK-SJLPKXTDSA-N 2 2 331.504 3.462 20 0 EGADLP CS[C@@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C[C@H]1[NH+](C)C ZINC000433775553 457883179 /nfs/dbraw/zinc/88/31/79/457883179.db2.gz UTVHCAQKIBHUKO-ZIAGYGMSSA-N 2 2 336.549 3.379 20 0 EGADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)Sc2sccc21)C[NH+]1CCOCC1 ZINC000361892995 457936626 /nfs/dbraw/zinc/93/66/26/457936626.db2.gz OJCIZUXACHOLIR-UMVBOHGHSA-N 2 2 326.531 3.231 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328439 457936921 /nfs/dbraw/zinc/93/69/21/457936921.db2.gz LTVLCPZDJJFEQT-XWDORNJCSA-N 2 2 346.515 3.242 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328439 457936927 /nfs/dbraw/zinc/93/69/27/457936927.db2.gz LTVLCPZDJJFEQT-XWDORNJCSA-N 2 2 346.515 3.242 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000358342739 457946901 /nfs/dbraw/zinc/94/69/01/457946901.db2.gz QUDNZLOUWJMYNW-FTRWYGJKSA-N 2 2 326.488 3.042 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000358342739 457946908 /nfs/dbraw/zinc/94/69/08/457946908.db2.gz QUDNZLOUWJMYNW-FTRWYGJKSA-N 2 2 326.488 3.042 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1C ZINC000375516607 457956184 /nfs/dbraw/zinc/95/61/84/457956184.db2.gz FGJKPVDQZKIBNV-XAUMDUMWSA-N 2 2 340.471 3.016 20 0 EGADLP Cn1cc(-c2ccccc2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000358373515 457960918 /nfs/dbraw/zinc/96/09/18/457960918.db2.gz XZTKEOSHSGDEGM-UHFFFAOYSA-N 2 2 347.466 3.241 20 0 EGADLP COC(=O)[C@H](C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCC1 ZINC000361937940 457968225 /nfs/dbraw/zinc/96/82/25/457968225.db2.gz PPFPHWNQFILVNC-HNNXBMFYSA-N 2 2 327.428 3.097 20 0 EGADLP COC(=O)[C@H](C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCC1 ZINC000361937940 457968229 /nfs/dbraw/zinc/96/82/29/457968229.db2.gz PPFPHWNQFILVNC-HNNXBMFYSA-N 2 2 327.428 3.097 20 0 EGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367696184 457973589 /nfs/dbraw/zinc/97/35/89/457973589.db2.gz FMAULUQFZFTFDJ-IPQPSQTFSA-N 2 2 335.536 3.019 20 0 EGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367696184 457973592 /nfs/dbraw/zinc/97/35/92/457973592.db2.gz FMAULUQFZFTFDJ-IPQPSQTFSA-N 2 2 335.536 3.019 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)c1 ZINC000358411394 457987243 /nfs/dbraw/zinc/98/72/43/457987243.db2.gz XELMMZIWSPUFCI-UHFFFAOYSA-N 2 2 343.515 3.375 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ncc(Br)cc1F ZINC000427689428 458022269 /nfs/dbraw/zinc/02/22/69/458022269.db2.gz IHPSUHWOSVYZHC-JBLDHEPKSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ncc(Br)cc1F ZINC000427689428 458022274 /nfs/dbraw/zinc/02/22/74/458022274.db2.gz IHPSUHWOSVYZHC-JBLDHEPKSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434665072 458031121 /nfs/dbraw/zinc/03/11/21/458031121.db2.gz YULLMEOLVADWLN-AWEZNQCLSA-N 2 2 333.476 3.129 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684084 458035399 /nfs/dbraw/zinc/03/53/99/458035399.db2.gz HDELRTVNZODNQN-UHFFFAOYSA-N 2 2 346.519 3.047 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427855445 458043850 /nfs/dbraw/zinc/04/38/50/458043850.db2.gz COVZWEVADRGVET-CABCVRRESA-N 2 2 339.361 3.194 20 0 EGADLP CC1(C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@H]1OCc1ccccc1 ZINC000427879664 458046905 /nfs/dbraw/zinc/04/69/05/458046905.db2.gz DCXUHYVVDQBJKQ-RCCFBDPRSA-N 2 2 325.456 3.171 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428030951 458067649 /nfs/dbraw/zinc/06/76/49/458067649.db2.gz FYQNGEUVXIYENI-RLLQIKCJSA-N 2 2 335.451 3.050 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428030951 458067653 /nfs/dbraw/zinc/06/76/53/458067653.db2.gz FYQNGEUVXIYENI-RLLQIKCJSA-N 2 2 335.451 3.050 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)CCC2 ZINC000375840774 458090598 /nfs/dbraw/zinc/09/05/98/458090598.db2.gz PYMHQXJJCOBPPE-JKSUJKDBSA-N 2 2 336.443 3.000 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1COCc2ccccc21 ZINC000428213564 458099141 /nfs/dbraw/zinc/09/91/41/458099141.db2.gz UGQWHOHECCLVNV-MAODMQOUSA-N 2 2 337.467 3.153 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1COCc2ccccc21 ZINC000428213564 458099146 /nfs/dbraw/zinc/09/91/46/458099146.db2.gz UGQWHOHECCLVNV-MAODMQOUSA-N 2 2 337.467 3.153 20 0 EGADLP CCc1nc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000428235956 458102282 /nfs/dbraw/zinc/10/22/82/458102282.db2.gz INHZNEWQHZATGW-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000428235956 458102286 /nfs/dbraw/zinc/10/22/86/458102286.db2.gz INHZNEWQHZATGW-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1nc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000428235956 458102290 /nfs/dbraw/zinc/10/22/90/458102290.db2.gz INHZNEWQHZATGW-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1nc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000428235956 458102293 /nfs/dbraw/zinc/10/22/93/458102293.db2.gz INHZNEWQHZATGW-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000375906599 458118773 /nfs/dbraw/zinc/11/87/73/458118773.db2.gz VRIXHIIENHPEFI-OAHLLOKOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000375906599 458118779 /nfs/dbraw/zinc/11/87/79/458118779.db2.gz VRIXHIIENHPEFI-OAHLLOKOSA-N 2 2 339.886 3.079 20 0 EGADLP CCc1ncc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435370519 458123335 /nfs/dbraw/zinc/12/33/35/458123335.db2.gz IZGUTEUEAAVDBI-MRXNPFEDSA-N 2 2 330.501 3.245 20 0 EGADLP CCc1ncc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435370519 458123339 /nfs/dbraw/zinc/12/33/39/458123339.db2.gz IZGUTEUEAAVDBI-MRXNPFEDSA-N 2 2 330.501 3.245 20 0 EGADLP Cc1ccn2c(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c[nH+]c2c1 ZINC000435384233 458130907 /nfs/dbraw/zinc/13/09/07/458130907.db2.gz LTIQMCLNXFVSAQ-IBGZPJMESA-N 2 2 349.482 3.182 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000435385089 458132527 /nfs/dbraw/zinc/13/25/27/458132527.db2.gz PMDKWBWLUBVWFL-WOJBJXKFSA-N 2 2 340.467 3.300 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000435385089 458132534 /nfs/dbraw/zinc/13/25/34/458132534.db2.gz PMDKWBWLUBVWFL-WOJBJXKFSA-N 2 2 340.467 3.300 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000362403137 458156479 /nfs/dbraw/zinc/15/64/79/458156479.db2.gz TVWHSACOUIBNBO-SFHVURJKSA-N 3 2 327.476 3.252 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000362403137 458156486 /nfs/dbraw/zinc/15/64/86/458156486.db2.gz TVWHSACOUIBNBO-SFHVURJKSA-N 3 2 327.476 3.252 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435628442 458176487 /nfs/dbraw/zinc/17/64/87/458176487.db2.gz QUVULMNGIBAENF-ZDUSSCGKSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435628442 458176491 /nfs/dbraw/zinc/17/64/91/458176491.db2.gz QUVULMNGIBAENF-ZDUSSCGKSA-N 2 2 344.286 3.396 20 0 EGADLP CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335816 458177978 /nfs/dbraw/zinc/17/79/78/458177978.db2.gz UBUUQWZEEIOVPO-RBUKOAKNSA-N 2 2 349.563 3.268 20 0 EGADLP CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335816 458177981 /nfs/dbraw/zinc/17/79/81/458177981.db2.gz UBUUQWZEEIOVPO-RBUKOAKNSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369356960 458186619 /nfs/dbraw/zinc/18/66/19/458186619.db2.gz DCZMUMKOACMDOS-HOCLYGCPSA-N 2 2 339.886 3.252 20 0 EGADLP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356960 458186625 /nfs/dbraw/zinc/18/66/25/458186625.db2.gz DCZMUMKOACMDOS-HOCLYGCPSA-N 2 2 339.886 3.252 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000429056866 458266963 /nfs/dbraw/zinc/26/69/63/458266963.db2.gz UQZPGIDWRFIEDA-FQEVSTJZSA-N 2 2 344.547 3.352 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000429056866 458266966 /nfs/dbraw/zinc/26/69/66/458266966.db2.gz UQZPGIDWRFIEDA-FQEVSTJZSA-N 2 2 344.547 3.352 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(Cl)cc1 ZINC000429058580 458268335 /nfs/dbraw/zinc/26/83/35/458268335.db2.gz HVRSDDDLGJJORY-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(Cl)cc1 ZINC000429058580 458268336 /nfs/dbraw/zinc/26/83/36/458268336.db2.gz HVRSDDDLGJJORY-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Cl)cc1 ZINC000429058580 458268340 /nfs/dbraw/zinc/26/83/40/458268340.db2.gz HVRSDDDLGJJORY-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(Cl)cc1 ZINC000429058580 458268344 /nfs/dbraw/zinc/26/83/44/458268344.db2.gz HVRSDDDLGJJORY-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000372330945 458277939 /nfs/dbraw/zinc/27/79/39/458277939.db2.gz HGNUJMDZZDIJEC-YXJHDRRASA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000372330945 458277945 /nfs/dbraw/zinc/27/79/45/458277945.db2.gz HGNUJMDZZDIJEC-YXJHDRRASA-N 2 2 338.879 3.032 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000436429045 458304860 /nfs/dbraw/zinc/30/48/60/458304860.db2.gz FWHALAJNYMHXID-MRXNPFEDSA-N 2 2 343.471 3.181 20 0 EGADLP OC1(Cc2ccccc2F)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000369664895 458307996 /nfs/dbraw/zinc/30/79/96/458307996.db2.gz QJYYWKSFRDSIAU-UHFFFAOYSA-N 2 2 339.414 3.043 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459358211 458342289 /nfs/dbraw/zinc/34/22/89/458342289.db2.gz BZWLOUMPWNPGAJ-RCCFBDPRSA-N 2 2 331.485 3.201 20 0 EGADLP COCc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000459356651 458342708 /nfs/dbraw/zinc/34/27/08/458342708.db2.gz OHUPJSXRINSJHA-MRXNPFEDSA-N 2 2 335.492 3.298 20 0 EGADLP COCc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000459356651 458342711 /nfs/dbraw/zinc/34/27/11/458342711.db2.gz OHUPJSXRINSJHA-MRXNPFEDSA-N 2 2 335.492 3.298 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000459364798 458344876 /nfs/dbraw/zinc/34/48/76/458344876.db2.gz AMISRDRWPUXYBV-ZDUSSCGKSA-N 2 2 328.391 3.123 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000459364798 458344881 /nfs/dbraw/zinc/34/48/81/458344881.db2.gz AMISRDRWPUXYBV-ZDUSSCGKSA-N 2 2 328.391 3.123 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000373115940 458401580 /nfs/dbraw/zinc/40/15/80/458401580.db2.gz PSZJYIMMELWZKR-CYBMUJFWSA-N 2 2 343.862 3.340 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000373115940 458401582 /nfs/dbraw/zinc/40/15/82/458401582.db2.gz PSZJYIMMELWZKR-CYBMUJFWSA-N 2 2 343.862 3.340 20 0 EGADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423531947 458453407 /nfs/dbraw/zinc/45/34/07/458453407.db2.gz YWEANHWLSVAFDO-DYESRHJHSA-N 2 2 340.467 3.213 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423532995 458454122 /nfs/dbraw/zinc/45/41/22/458454122.db2.gz WFTURBIEMMSCQT-HXUWFJFHSA-N 3 2 327.516 3.148 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)CCn1cc[nH+]c1C(C)C ZINC000430501228 458454157 /nfs/dbraw/zinc/45/41/57/458454157.db2.gz GAYCNCAVWZUTHZ-UHFFFAOYSA-N 2 2 345.491 3.094 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000430490703 458454196 /nfs/dbraw/zinc/45/41/96/458454196.db2.gz GKVAUKAOMUHTEJ-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000430490703 458454199 /nfs/dbraw/zinc/45/41/99/458454199.db2.gz GKVAUKAOMUHTEJ-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)cc1 ZINC000423543152 458454673 /nfs/dbraw/zinc/45/46/73/458454673.db2.gz BNPDMTNDZIHOIR-QZTJIDSGSA-N 2 2 334.822 3.147 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423541329 458454782 /nfs/dbraw/zinc/45/47/82/458454782.db2.gz AQURPIHWXZELGX-GOSISDBHSA-N 3 2 338.499 3.034 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423548123 458455813 /nfs/dbraw/zinc/45/58/13/458455813.db2.gz DQRBZHDYBZPMBF-WMZOPIPTSA-N 2 2 332.488 3.084 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430544195 458458826 /nfs/dbraw/zinc/45/88/26/458458826.db2.gz NMBUXKRYJJWWHE-KRWDZBQOSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430544195 458458829 /nfs/dbraw/zinc/45/88/29/458458829.db2.gz NMBUXKRYJJWWHE-KRWDZBQOSA-N 2 2 339.439 3.231 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430591420 458467707 /nfs/dbraw/zinc/46/77/07/458467707.db2.gz FKFSXIAHKWODFV-ZIAGYGMSSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430591420 458467712 /nfs/dbraw/zinc/46/77/12/458467712.db2.gz FKFSXIAHKWODFV-ZIAGYGMSSA-N 2 2 331.485 3.378 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000430629395 458472778 /nfs/dbraw/zinc/47/27/78/458472778.db2.gz WOZKBBMSQFRHIA-MRXNPFEDSA-N 2 2 339.439 3.088 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000430629395 458472782 /nfs/dbraw/zinc/47/27/82/458472782.db2.gz WOZKBBMSQFRHIA-MRXNPFEDSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000459794407 458480878 /nfs/dbraw/zinc/48/08/78/458480878.db2.gz UPNIEDPUGJAKLE-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000459794407 458480882 /nfs/dbraw/zinc/48/08/82/458480882.db2.gz UPNIEDPUGJAKLE-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794407 458480887 /nfs/dbraw/zinc/48/08/87/458480887.db2.gz UPNIEDPUGJAKLE-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794407 458480890 /nfs/dbraw/zinc/48/08/90/458480890.db2.gz UPNIEDPUGJAKLE-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCSCc3ccccc3)CC2)c1 ZINC000430742689 458487338 /nfs/dbraw/zinc/48/73/38/458487338.db2.gz XYFFTHHBYIARHH-UHFFFAOYSA-N 2 2 327.497 3.445 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758928 458488278 /nfs/dbraw/zinc/48/82/78/458488278.db2.gz DRFAFFBXISKGCG-IRXDYDNUSA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758928 458488280 /nfs/dbraw/zinc/48/82/80/458488280.db2.gz DRFAFFBXISKGCG-IRXDYDNUSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758928 458488285 /nfs/dbraw/zinc/48/82/85/458488285.db2.gz DRFAFFBXISKGCG-IRXDYDNUSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758928 458488287 /nfs/dbraw/zinc/48/82/87/458488287.db2.gz DRFAFFBXISKGCG-IRXDYDNUSA-N 2 2 342.487 3.186 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430936011 458507643 /nfs/dbraw/zinc/50/76/43/458507643.db2.gz WGPDHBJDQOSDBM-MDZRGWNJSA-N 2 2 337.467 3.350 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430936011 458507646 /nfs/dbraw/zinc/50/76/46/458507646.db2.gz WGPDHBJDQOSDBM-MDZRGWNJSA-N 2 2 337.467 3.350 20 0 EGADLP CCC[N@H+](CC(=O)Nc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431066503 458523270 /nfs/dbraw/zinc/52/32/70/458523270.db2.gz NTOHLBSGYYBSRN-UHFFFAOYSA-N 2 2 325.456 3.242 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431066503 458523274 /nfs/dbraw/zinc/52/32/74/458523274.db2.gz NTOHLBSGYYBSRN-UHFFFAOYSA-N 2 2 325.456 3.242 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000431095028 458529103 /nfs/dbraw/zinc/52/91/03/458529103.db2.gz SOSJUKRHMWJQMZ-INIZCTEOSA-N 2 2 326.444 3.305 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000431095028 458529105 /nfs/dbraw/zinc/52/91/05/458529105.db2.gz SOSJUKRHMWJQMZ-INIZCTEOSA-N 2 2 326.444 3.305 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000377886766 458564464 /nfs/dbraw/zinc/56/44/64/458564464.db2.gz AVTDZGBGKZMNJX-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000377886766 458564471 /nfs/dbraw/zinc/56/44/71/458564471.db2.gz AVTDZGBGKZMNJX-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493797606 458569665 /nfs/dbraw/zinc/56/96/65/458569665.db2.gz XURSTHAMNUDFRT-KHPPLWFESA-N 2 2 337.467 3.132 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000377967335 458585043 /nfs/dbraw/zinc/58/50/43/458585043.db2.gz ZLVZGJJMDKPWHC-GDBMZVCRSA-N 2 2 329.444 3.437 20 0 EGADLP CC(C)c1cc(N2CC[NH+](Cc3cccs3)CC2)nc(N(C)C)[nH+]1 ZINC000462094419 458595008 /nfs/dbraw/zinc/59/50/08/458595008.db2.gz RFHPZRJDPVAAPP-UHFFFAOYSA-N 2 2 345.516 3.050 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000424292002 458606850 /nfs/dbraw/zinc/60/68/50/458606850.db2.gz NWAPUCIWNPVWJW-GUDVDZBRSA-N 2 2 341.430 3.365 20 0 EGADLP Clc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494402205 458672557 /nfs/dbraw/zinc/67/25/57/458672557.db2.gz DBTUXOPKNFTIDO-CQSZACIVSA-N 2 2 330.863 3.241 20 0 EGADLP CCCc1noc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852372 458742827 /nfs/dbraw/zinc/74/28/27/458742827.db2.gz VSQUNAUADVGBIF-ZWKOTPCHSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1noc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852372 458742833 /nfs/dbraw/zinc/74/28/33/458742833.db2.gz VSQUNAUADVGBIF-ZWKOTPCHSA-N 2 2 342.487 3.194 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000495258997 458821461 /nfs/dbraw/zinc/82/14/61/458821461.db2.gz IFAUWBYDSCVBFN-VQTJNVASSA-N 2 2 338.495 3.315 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000457080911 458858421 /nfs/dbraw/zinc/85/84/21/458858421.db2.gz CQPVCZARQDJNSR-INIZCTEOSA-N 2 2 339.439 3.429 20 0 EGADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000457080911 458858423 /nfs/dbraw/zinc/85/84/23/458858423.db2.gz CQPVCZARQDJNSR-INIZCTEOSA-N 2 2 339.439 3.429 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000518528145 458875061 /nfs/dbraw/zinc/87/50/61/458875061.db2.gz QRAMSBOCLHHMGN-CRAIPNDOSA-N 2 2 347.503 3.043 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000474618243 458894290 /nfs/dbraw/zinc/89/42/90/458894290.db2.gz YIRMLTUDOCODSW-SFHVURJKSA-N 2 2 332.488 3.311 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC000495603977 458894666 /nfs/dbraw/zinc/89/46/66/458894666.db2.gz QRWKXUKKGMJBCB-WMZOPIPTSA-N 2 2 345.487 3.031 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@H]1c1ccccc1 ZINC000495603977 458894668 /nfs/dbraw/zinc/89/46/68/458894668.db2.gz QRWKXUKKGMJBCB-WMZOPIPTSA-N 2 2 345.487 3.031 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346060 458924378 /nfs/dbraw/zinc/92/43/78/458924378.db2.gz IQBSMCLDKUSZBK-MJGOQNOKSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346060 458924381 /nfs/dbraw/zinc/92/43/81/458924381.db2.gz IQBSMCLDKUSZBK-MJGOQNOKSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346060 458924384 /nfs/dbraw/zinc/92/43/84/458924384.db2.gz IQBSMCLDKUSZBK-MJGOQNOKSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346060 458924390 /nfs/dbraw/zinc/92/43/90/458924390.db2.gz IQBSMCLDKUSZBK-MJGOQNOKSA-N 2 2 347.478 3.127 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc12 ZINC000556049734 458925173 /nfs/dbraw/zinc/92/51/73/458925173.db2.gz VIWGKSOKBYPGOX-UHFFFAOYSA-N 2 2 337.427 3.013 20 0 EGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000556083923 458926208 /nfs/dbraw/zinc/92/62/08/458926208.db2.gz QMZICQTYLWPCLD-LJQANCHMSA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000556083923 458926211 /nfs/dbraw/zinc/92/62/11/458926211.db2.gz QMZICQTYLWPCLD-LJQANCHMSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441363213 458926238 /nfs/dbraw/zinc/92/62/38/458926238.db2.gz YTHRHYFFRNZVKQ-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441363213 458926241 /nfs/dbraw/zinc/92/62/41/458926241.db2.gz YTHRHYFFRNZVKQ-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000441363213 458926245 /nfs/dbraw/zinc/92/62/45/458926245.db2.gz YTHRHYFFRNZVKQ-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000441363213 458926249 /nfs/dbraw/zinc/92/62/49/458926249.db2.gz YTHRHYFFRNZVKQ-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000531702936 458964453 /nfs/dbraw/zinc/96/44/53/458964453.db2.gz ULIVZMIXGQSTLI-LNLFQRSKSA-N 2 2 331.504 3.059 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000531702936 458964458 /nfs/dbraw/zinc/96/44/58/458964458.db2.gz ULIVZMIXGQSTLI-LNLFQRSKSA-N 2 2 331.504 3.059 20 0 EGADLP Cc1cccc(C[C@@H](CO)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000467361001 458970108 /nfs/dbraw/zinc/97/01/08/458970108.db2.gz XWLRUYWRONXWNH-YADHBBJMSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1cccc(C[C@@H](CO)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000467361001 458970113 /nfs/dbraw/zinc/97/01/13/458970113.db2.gz XWLRUYWRONXWNH-YADHBBJMSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000566617404 458971324 /nfs/dbraw/zinc/97/13/24/458971324.db2.gz NYCFTBQGLZXDFM-ZDUSSCGKSA-N 2 2 326.375 3.472 20 0 EGADLP C[C@]1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO[C@@H]1C1CC1 ZINC000468042711 458998422 /nfs/dbraw/zinc/99/84/22/458998422.db2.gz NHRPEJRPBZZINI-PWRODBHTSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@]1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO[C@@H]1C1CC1 ZINC000468042711 458998425 /nfs/dbraw/zinc/99/84/25/458998425.db2.gz NHRPEJRPBZZINI-PWRODBHTSA-N 2 2 328.500 3.446 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324794 459016369 /nfs/dbraw/zinc/01/63/69/459016369.db2.gz YEQQEMSNNWHMHU-DOTOQJQBSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324794 459016374 /nfs/dbraw/zinc/01/63/74/459016374.db2.gz YEQQEMSNNWHMHU-DOTOQJQBSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@@H](CC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577324794 459016378 /nfs/dbraw/zinc/01/63/78/459016378.db2.gz YEQQEMSNNWHMHU-DOTOQJQBSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@@H](CC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577324794 459016381 /nfs/dbraw/zinc/01/63/81/459016381.db2.gz YEQQEMSNNWHMHU-DOTOQJQBSA-N 2 2 338.517 3.152 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000566941777 459023653 /nfs/dbraw/zinc/02/36/53/459023653.db2.gz UQLRVWAMXMAFDI-OXQOHEQNSA-N 2 2 338.451 3.398 20 0 EGADLP CCCN1C(=O)C2(CCCCC2)[NH2+][C@]12CCC[C@H](c1[nH+]ccn1C)C2 ZINC000556882293 459027188 /nfs/dbraw/zinc/02/71/88/459027188.db2.gz ZBEWUHLKMUKIFN-OXJNMPFZSA-N 2 2 344.503 3.319 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240038 459052279 /nfs/dbraw/zinc/05/22/79/459052279.db2.gz DASGSDJJIXDVFD-ZFWWWQNUSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240038 459052280 /nfs/dbraw/zinc/05/22/80/459052280.db2.gz DASGSDJJIXDVFD-ZFWWWQNUSA-N 2 2 337.895 3.297 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)ccn1 ZINC000567296165 459081014 /nfs/dbraw/zinc/08/10/14/459081014.db2.gz CTJBBUWTEZIJOH-QGZVFWFLSA-N 2 2 347.503 3.024 20 0 EGADLP CCCOc1cccc2c(N[C@H](C)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000478271412 459083542 /nfs/dbraw/zinc/08/35/42/459083542.db2.gz ANKCEQXKSFXUNE-OAHLLOKOSA-N 2 2 329.444 3.156 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000520953285 459106314 /nfs/dbraw/zinc/10/63/14/459106314.db2.gz ZDXUVZHSLPAWLX-HXUWFJFHSA-N 2 2 346.515 3.454 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000520953285 459106317 /nfs/dbraw/zinc/10/63/17/459106317.db2.gz ZDXUVZHSLPAWLX-HXUWFJFHSA-N 2 2 346.515 3.454 20 0 EGADLP COCC[NH+](CCOC)C1CC[NH+](C/C(C)=C\c2ccccc2)CC1 ZINC000577959325 459123866 /nfs/dbraw/zinc/12/38/66/459123866.db2.gz GJHHMKNOSUBOGC-ZPHPHTNESA-N 2 2 346.515 3.149 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000567641269 459139264 /nfs/dbraw/zinc/13/92/64/459139264.db2.gz PWPJIGNIUQRMKK-MZMPZRCHSA-N 2 2 334.460 3.333 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000578126645 459150254 /nfs/dbraw/zinc/15/02/54/459150254.db2.gz MTYASSCCLCJFJM-OXQOHEQNSA-N 2 2 337.467 3.189 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccco3)CC2)c1 ZINC000480255941 459191307 /nfs/dbraw/zinc/19/13/07/459191307.db2.gz ZLVUROOWLAYDPK-SFHVURJKSA-N 2 2 327.472 3.451 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000558715781 459202488 /nfs/dbraw/zinc/20/24/88/459202488.db2.gz NCZRHWNCXMDVAO-HNNXBMFYSA-N 2 2 325.412 3.088 20 0 EGADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000558715781 459202495 /nfs/dbraw/zinc/20/24/95/459202495.db2.gz NCZRHWNCXMDVAO-HNNXBMFYSA-N 2 2 325.412 3.088 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000578470017 459205663 /nfs/dbraw/zinc/20/56/63/459205663.db2.gz KTFFYZGKYWQOLC-QGZVFWFLSA-N 2 2 331.504 3.197 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000578470017 459205666 /nfs/dbraw/zinc/20/56/66/459205666.db2.gz KTFFYZGKYWQOLC-QGZVFWFLSA-N 2 2 331.504 3.197 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480776927 459217357 /nfs/dbraw/zinc/21/73/57/459217357.db2.gz SIUPPYIECBSCBR-IBGZPJMESA-N 2 2 348.556 3.195 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595065722 459234329 /nfs/dbraw/zinc/23/43/29/459234329.db2.gz USFHWJOLEYSZLR-IKDAMUNISA-N 2 2 331.485 3.213 20 0 EGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000533485131 459242302 /nfs/dbraw/zinc/24/23/02/459242302.db2.gz WNKVNSQVIXZREE-UHFFFAOYSA-N 2 2 327.472 3.306 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097544 459244590 /nfs/dbraw/zinc/24/45/90/459244590.db2.gz WVUFXGCVHWBRIX-KFKAGJAMSA-N 2 2 330.472 3.242 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097544 459244595 /nfs/dbraw/zinc/24/45/95/459244595.db2.gz WVUFXGCVHWBRIX-KFKAGJAMSA-N 2 2 330.472 3.242 20 0 EGADLP C[NH+](C)CCO[C@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)C1 ZINC000533783691 459268730 /nfs/dbraw/zinc/26/87/30/459268730.db2.gz WVGOXSNYHPHBKD-HNNXBMFYSA-N 2 2 348.535 3.229 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000496649776 459272655 /nfs/dbraw/zinc/27/26/55/459272655.db2.gz LJMJIVDKIYUVGG-YLFCFFPRSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)c1[nH+]c(CN2CC[NH+](Cc3ccncc3)CC2)c2ccccn21 ZINC000559928384 459285721 /nfs/dbraw/zinc/28/57/21/459285721.db2.gz OEURCDOPZFHQGY-UHFFFAOYSA-N 2 2 349.482 3.171 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082548 459310061 /nfs/dbraw/zinc/31/00/61/459310061.db2.gz IIBSBTKTPOGGFE-HNNXBMFYSA-N 2 2 343.818 3.424 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082548 459310064 /nfs/dbraw/zinc/31/00/64/459310064.db2.gz IIBSBTKTPOGGFE-HNNXBMFYSA-N 2 2 343.818 3.424 20 0 EGADLP CCCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482644900 459319447 /nfs/dbraw/zinc/31/94/47/459319447.db2.gz ULVZUVRDLWZBBJ-QFBILLFUSA-N 2 2 331.504 3.020 20 0 EGADLP CCCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482644900 459319455 /nfs/dbraw/zinc/31/94/55/459319455.db2.gz ULVZUVRDLWZBBJ-QFBILLFUSA-N 2 2 331.504 3.020 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000582176364 459320711 /nfs/dbraw/zinc/32/07/11/459320711.db2.gz PHIFLONELTZUSM-QGZVFWFLSA-N 2 2 338.373 3.145 20 0 EGADLP CCCCCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534473056 459328062 /nfs/dbraw/zinc/32/80/62/459328062.db2.gz AMNVMVOTHQHMJB-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP CCCCCNC(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534473056 459328069 /nfs/dbraw/zinc/32/80/69/459328069.db2.gz AMNVMVOTHQHMJB-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1cc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc(C)[nH+]1 ZINC000568737719 459336233 /nfs/dbraw/zinc/33/62/33/459336233.db2.gz XHHZHGXAKGHGCY-UHFFFAOYSA-N 2 2 344.503 3.152 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC000560581230 459376352 /nfs/dbraw/zinc/37/63/52/459376352.db2.gz GNZWVEGMDWYDNH-JSGCOSHPSA-N 2 2 346.393 3.414 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC000560581230 459376357 /nfs/dbraw/zinc/37/63/57/459376357.db2.gz GNZWVEGMDWYDNH-JSGCOSHPSA-N 2 2 346.393 3.414 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569017119 459383155 /nfs/dbraw/zinc/38/31/55/459383155.db2.gz FWKOELZVCZLAHW-SFHVURJKSA-N 2 2 348.535 3.130 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569017119 459383159 /nfs/dbraw/zinc/38/31/59/459383159.db2.gz FWKOELZVCZLAHW-SFHVURJKSA-N 2 2 348.535 3.130 20 0 EGADLP C[C@H]1CCC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000540808326 459388715 /nfs/dbraw/zinc/38/87/15/459388715.db2.gz RHLIQIQVTYORRY-JKSUJKDBSA-N 2 2 342.487 3.428 20 0 EGADLP CC(C)[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)[NH+]1CCCCC1 ZINC000540872648 459395360 /nfs/dbraw/zinc/39/53/60/459395360.db2.gz YZKLPWALQCZISL-GOSISDBHSA-N 2 2 340.471 3.203 20 0 EGADLP Cc1cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C(C)C ZINC000525121673 459417277 /nfs/dbraw/zinc/41/72/77/459417277.db2.gz ZHFJMBDGSDPZKU-IBGZPJMESA-N 2 2 346.515 3.151 20 0 EGADLP Cc1cc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C(C)C ZINC000525121673 459417282 /nfs/dbraw/zinc/41/72/82/459417282.db2.gz ZHFJMBDGSDPZKU-IBGZPJMESA-N 2 2 346.515 3.151 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3ccsc3)CC2)c2c([nH+]1)CCCC2 ZINC000541078054 459426374 /nfs/dbraw/zinc/42/63/74/459426374.db2.gz FRHATOHDGYCBPM-UHFFFAOYSA-N 2 2 328.485 3.048 20 0 EGADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000582789654 459428925 /nfs/dbraw/zinc/42/89/25/459428925.db2.gz IXKBDNGLMXBKOL-HNNXBMFYSA-N 2 2 336.442 3.182 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000582820494 459431433 /nfs/dbraw/zinc/43/14/33/459431433.db2.gz GYFZVVLFMKLEHQ-YLJYHZDGSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000582820494 459431438 /nfs/dbraw/zinc/43/14/38/459431438.db2.gz GYFZVVLFMKLEHQ-YLJYHZDGSA-N 2 2 337.467 3.125 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](CCCc3nc(-c4ccccc4)no3)C2)c[nH+]1 ZINC000591868332 459460238 /nfs/dbraw/zinc/46/02/38/459460238.db2.gz WTLNBEXFNQGJQE-QGZVFWFLSA-N 2 2 337.427 3.203 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)c[nH+]1 ZINC000591868332 459460242 /nfs/dbraw/zinc/46/02/42/459460242.db2.gz WTLNBEXFNQGJQE-QGZVFWFLSA-N 2 2 337.427 3.203 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000583117653 459484649 /nfs/dbraw/zinc/48/46/49/459484649.db2.gz GWGMBBDAFZRAEV-OXQOHEQNSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@H+]1Cc1ccccc1 ZINC000583117653 459484653 /nfs/dbraw/zinc/48/46/53/459484653.db2.gz GWGMBBDAFZRAEV-OXQOHEQNSA-N 2 2 334.467 3.326 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743892 459486674 /nfs/dbraw/zinc/48/66/74/459486674.db2.gz ANIRAGJWUADWBI-OALUTQOASA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743892 459486680 /nfs/dbraw/zinc/48/66/80/459486680.db2.gz ANIRAGJWUADWBI-OALUTQOASA-N 2 2 326.488 3.025 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCN(CCCc3c[nH+]cn3C)CC2)cc1 ZINC000583212346 459502608 /nfs/dbraw/zinc/50/26/08/459502608.db2.gz OBGGDQOYNASWRR-UHFFFAOYSA-N 2 2 340.515 3.294 20 0 EGADLP CC(C)c1ccc(CN2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000583212346 459502615 /nfs/dbraw/zinc/50/26/15/459502615.db2.gz OBGGDQOYNASWRR-UHFFFAOYSA-N 2 2 340.515 3.294 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)n1C ZINC000497271093 459511096 /nfs/dbraw/zinc/51/10/96/459511096.db2.gz XKVLQEQOWVRPFD-KRWDZBQOSA-N 2 2 344.459 3.084 20 0 EGADLP CC[C@@H](C)[C@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542167983 459531227 /nfs/dbraw/zinc/53/12/27/459531227.db2.gz GIICEKROYABFLS-CABCVRRESA-N 2 2 330.476 3.284 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[nH+]1 ZINC000562345102 459542593 /nfs/dbraw/zinc/54/25/93/459542593.db2.gz ULKVHZYECNQLTG-CQSZACIVSA-N 2 2 335.411 3.091 20 0 EGADLP C[C@H]1CCCC[C@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000542312109 459546791 /nfs/dbraw/zinc/54/67/91/459546791.db2.gz RBMHYKHMYIEERZ-IRXDYDNUSA-N 2 2 330.520 3.272 20 0 EGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000562517597 459576318 /nfs/dbraw/zinc/57/63/18/459576318.db2.gz DYFGDETZVMCGGO-IBGZPJMESA-N 2 2 332.419 3.020 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000542765735 459590443 /nfs/dbraw/zinc/59/04/43/459590443.db2.gz NMQUYESABXGPRU-FGTMMUONSA-N 2 2 343.519 3.309 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000542765735 459590446 /nfs/dbraw/zinc/59/04/46/459590446.db2.gz NMQUYESABXGPRU-FGTMMUONSA-N 2 2 343.519 3.309 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000592402492 459595048 /nfs/dbraw/zinc/59/50/48/459595048.db2.gz ILXFCPAPDWRQLM-CYBMUJFWSA-N 2 2 343.452 3.384 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@H](C)[C@H](C)C3)c2cc1C ZINC000583786686 459595354 /nfs/dbraw/zinc/59/53/54/459595354.db2.gz LEDGBIAGFXOFIA-MJSCVDMRSA-N 2 2 329.488 3.428 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2noc3ccccc23)[C@H](C)C1 ZINC000573137507 459632075 /nfs/dbraw/zinc/63/20/75/459632075.db2.gz PHTUIUPQAVJFGH-NVXWUHKLSA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2noc3ccccc23)[C@H](C)C1 ZINC000573137507 459632079 /nfs/dbraw/zinc/63/20/79/459632079.db2.gz PHTUIUPQAVJFGH-NVXWUHKLSA-N 2 2 331.460 3.054 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000573168713 459635876 /nfs/dbraw/zinc/63/58/76/459635876.db2.gz BMOWQWPCJVNUBB-RBUKOAKNSA-N 2 2 344.524 3.385 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000573168713 459635880 /nfs/dbraw/zinc/63/58/80/459635880.db2.gz BMOWQWPCJVNUBB-RBUKOAKNSA-N 2 2 344.524 3.385 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[NH+](C)C)cc1 ZINC000500082195 459663443 /nfs/dbraw/zinc/66/34/43/459663443.db2.gz NTZIXPYQBVTLSL-LPHOPBHVSA-N 2 2 333.520 3.088 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccsc2C(F)(F)F)C[C@@H](C)O1 ZINC000527633071 459678471 /nfs/dbraw/zinc/67/84/71/459678471.db2.gz LWNSPKNPEPWUIU-VXGBXAGGSA-N 2 2 336.423 3.356 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccncc3Cl)c2)CCO1 ZINC000527644805 459683221 /nfs/dbraw/zinc/68/32/21/459683221.db2.gz IFBWXYIEUYYKGR-HNNXBMFYSA-N 2 2 345.874 3.246 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccncc3Cl)c2)CCO1 ZINC000527644805 459683226 /nfs/dbraw/zinc/68/32/26/459683226.db2.gz IFBWXYIEUYYKGR-HNNXBMFYSA-N 2 2 345.874 3.246 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)CNc3ccc4c(c3)[nH+]cn4C)c2cc1C ZINC000566126255 459810798 /nfs/dbraw/zinc/81/07/98/459810798.db2.gz YHFBWWYHTCWRQT-MRXNPFEDSA-N 2 2 349.438 3.013 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000566244775 459828175 /nfs/dbraw/zinc/82/81/75/459828175.db2.gz MGLZASDUGYHDIY-QGZVFWFLSA-N 2 2 339.439 3.101 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000566244775 459828180 /nfs/dbraw/zinc/82/81/80/459828180.db2.gz MGLZASDUGYHDIY-QGZVFWFLSA-N 2 2 339.439 3.101 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000597235827 459889172 /nfs/dbraw/zinc/88/91/72/459889172.db2.gz JQUMZGAVCJMJAP-MJGOQNOKSA-N 2 2 327.428 3.084 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000597242212 459892407 /nfs/dbraw/zinc/89/24/07/459892407.db2.gz VIYWPWUTYDDLEV-AZUAARDMSA-N 2 2 341.455 3.392 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1csc2ccccc12 ZINC000588688773 459968603 /nfs/dbraw/zinc/96/86/03/459968603.db2.gz VPGOFSLHLHYDJP-GOSISDBHSA-N 2 2 340.492 3.484 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1csc2ccccc12 ZINC000588688773 459968606 /nfs/dbraw/zinc/96/86/06/459968606.db2.gz VPGOFSLHLHYDJP-GOSISDBHSA-N 2 2 340.492 3.484 20 0 EGADLP CCOc1cncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000621725358 460030340 /nfs/dbraw/zinc/03/03/40/460030340.db2.gz LLKSXZMIXOOUMH-UHFFFAOYSA-N 2 2 340.471 3.393 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000589206607 460055374 /nfs/dbraw/zinc/05/53/74/460055374.db2.gz WGTAYKLCJFLSOE-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000589206607 460055379 /nfs/dbraw/zinc/05/53/79/460055379.db2.gz WGTAYKLCJFLSOE-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000589206607 460055383 /nfs/dbraw/zinc/05/53/83/460055383.db2.gz WGTAYKLCJFLSOE-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000589206607 460055388 /nfs/dbraw/zinc/05/53/88/460055388.db2.gz WGTAYKLCJFLSOE-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000621765255 460057674 /nfs/dbraw/zinc/05/76/74/460057674.db2.gz VJOXGXKHMMDWJB-BJLQDIEVSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000621765255 460057678 /nfs/dbraw/zinc/05/76/78/460057678.db2.gz VJOXGXKHMMDWJB-BJLQDIEVSA-N 2 2 327.472 3.091 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000625221912 460078426 /nfs/dbraw/zinc/07/84/26/460078426.db2.gz MGCVNAZGGAIMII-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000625221912 460078434 /nfs/dbraw/zinc/07/84/34/460078434.db2.gz MGCVNAZGGAIMII-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221912 460078438 /nfs/dbraw/zinc/07/84/38/460078438.db2.gz MGCVNAZGGAIMII-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221912 460078444 /nfs/dbraw/zinc/07/84/44/460078444.db2.gz MGCVNAZGGAIMII-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000614325904 460096880 /nfs/dbraw/zinc/09/68/80/460096880.db2.gz TUQKAYSLMUZDJG-MRXNPFEDSA-N 2 2 331.287 3.440 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000614325904 460096886 /nfs/dbraw/zinc/09/68/86/460096886.db2.gz TUQKAYSLMUZDJG-MRXNPFEDSA-N 2 2 331.287 3.440 20 0 EGADLP CC(C)c1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000576359406 460126563 /nfs/dbraw/zinc/12/65/63/460126563.db2.gz ICSDCCPJBVZOGD-QGZVFWFLSA-N 2 2 346.519 3.415 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005128 460157520 /nfs/dbraw/zinc/15/75/20/460157520.db2.gz YUCMVGOFWFQJGL-AUUYWEPGSA-N 2 2 346.425 3.081 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622005128 460157524 /nfs/dbraw/zinc/15/75/24/460157524.db2.gz YUCMVGOFWFQJGL-AUUYWEPGSA-N 2 2 346.425 3.081 20 0 EGADLP COc1ccc(C(C)C)cc1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544655 460202938 /nfs/dbraw/zinc/20/29/38/460202938.db2.gz UNZWDQPISZXHKS-UHFFFAOYSA-N 2 2 332.488 3.115 20 0 EGADLP C[NH+](C)C[C@H](N[C@@H]1CCn2cc[nH+]c21)c1cccc(C(F)(F)F)c1 ZINC000631660660 460494917 /nfs/dbraw/zinc/49/49/17/460494917.db2.gz TYVFMYDDDOLAKJ-CABCVRRESA-N 2 2 338.377 3.239 20 0 EGADLP Cc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ncc1Br ZINC000623342847 460498920 /nfs/dbraw/zinc/49/89/20/460498920.db2.gz RKCCQKDPNPWTHG-UHFFFAOYSA-N 2 2 340.309 3.364 20 0 EGADLP C[NH+](C)CC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000635328552 460747034 /nfs/dbraw/zinc/74/70/34/460747034.db2.gz POPVJKDXRCNWCI-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP Cc1csc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000623885547 460761403 /nfs/dbraw/zinc/76/14/03/460761403.db2.gz AXYFSPVOLXKEOB-SJLPKXTDSA-N 2 2 344.528 3.091 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C12CCC[NH+](CCC1)C2 ZINC000635457267 460794068 /nfs/dbraw/zinc/79/40/68/460794068.db2.gz YWTMIWDEVADLNS-UHFFFAOYSA-N 2 2 344.846 3.340 20 0 EGADLP O[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000629557401 460807524 /nfs/dbraw/zinc/80/75/24/460807524.db2.gz LERVKWZHHQEVDQ-PMACEKPBSA-N 2 2 344.886 3.476 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)n1 ZINC000623984870 460810793 /nfs/dbraw/zinc/81/07/93/460810793.db2.gz ZTVODZRLVIKQRA-AWEZNQCLSA-N 2 2 334.489 3.028 20 0 EGADLP CC(C)c1ccc(-c2nc(C[N@H+](C)CCOCC[NH3+])cs2)cc1 ZINC000629577366 460812397 /nfs/dbraw/zinc/81/23/97/460812397.db2.gz GQNVVZIOVHKFLR-UHFFFAOYSA-N 2 2 333.501 3.341 20 0 EGADLP CC(C)c1ccc(-c2nc(C[N@@H+](C)CCOCC[NH3+])cs2)cc1 ZINC000629577366 460812404 /nfs/dbraw/zinc/81/24/04/460812404.db2.gz GQNVVZIOVHKFLR-UHFFFAOYSA-N 2 2 333.501 3.341 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566548 460812771 /nfs/dbraw/zinc/81/27/71/460812771.db2.gz ZQTXCAURVAEBEV-CABCVRRESA-N 2 2 330.394 3.433 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566548 460812778 /nfs/dbraw/zinc/81/27/78/460812778.db2.gz ZQTXCAURVAEBEV-CABCVRRESA-N 2 2 330.394 3.433 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078153 460848527 /nfs/dbraw/zinc/84/85/27/460848527.db2.gz UPEFDIKLILOZER-AZUAARDMSA-N 2 2 341.499 3.481 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c2ccccc21 ZINC000624078153 460848530 /nfs/dbraw/zinc/84/85/30/460848530.db2.gz UPEFDIKLILOZER-AZUAARDMSA-N 2 2 341.499 3.481 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120484 460871435 /nfs/dbraw/zinc/87/14/35/460871435.db2.gz ABSNQKLCDUSWAG-FUHWJXTLSA-N 2 2 341.503 3.267 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120484 460871442 /nfs/dbraw/zinc/87/14/42/460871442.db2.gz ABSNQKLCDUSWAG-FUHWJXTLSA-N 2 2 341.503 3.267 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000624124175 460872822 /nfs/dbraw/zinc/87/28/22/460872822.db2.gz ZCBGZXNECRMCBK-XJKSGUPXSA-N 2 2 328.859 3.488 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000624124175 460872825 /nfs/dbraw/zinc/87/28/25/460872825.db2.gz ZCBGZXNECRMCBK-XJKSGUPXSA-N 2 2 328.859 3.488 20 0 EGADLP CCOCCCNc1ccc(-c2cc(C[NH+](C)C)ccc2F)c[nH+]1 ZINC000629736441 460896374 /nfs/dbraw/zinc/89/63/74/460896374.db2.gz GSTFDRVHRNXICY-UHFFFAOYSA-N 2 2 331.435 3.210 20 0 EGADLP Cc1cccc(C[N@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000613382118 460928346 /nfs/dbraw/zinc/92/83/46/460928346.db2.gz LZDZMALICVLCAJ-LJQANCHMSA-N 2 2 337.467 3.454 20 0 EGADLP Cc1cccc(C[N@@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000613382118 460928354 /nfs/dbraw/zinc/92/83/54/460928354.db2.gz LZDZMALICVLCAJ-LJQANCHMSA-N 2 2 337.467 3.454 20 0 EGADLP Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000617753382 460966107 /nfs/dbraw/zinc/96/61/07/460966107.db2.gz BDAIANGLYFLMFN-OAHLLOKOSA-N 2 2 327.428 3.252 20 0 EGADLP CCOc1cncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000621328456 460990287 /nfs/dbraw/zinc/99/02/87/460990287.db2.gz SJIWHDOHYBYEFL-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000621355522 461005412 /nfs/dbraw/zinc/00/54/12/461005412.db2.gz OYQUHCNAEJAEPJ-UZLBHIALSA-N 2 2 325.456 3.233 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000621355522 461005418 /nfs/dbraw/zinc/00/54/18/461005418.db2.gz OYQUHCNAEJAEPJ-UZLBHIALSA-N 2 2 325.456 3.233 20 0 EGADLP [NH3+]C1(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCC1 ZINC000658994172 461130427 /nfs/dbraw/zinc/13/04/27/461130427.db2.gz LIRFXPXRGBLBAO-UHFFFAOYSA-N 2 2 326.400 3.267 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)n1C ZINC000668188676 461167513 /nfs/dbraw/zinc/16/75/13/461167513.db2.gz LMSIWZNOCOJYOT-LBPRGKRZSA-N 2 2 336.842 3.232 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@@H]2C)n1C ZINC000668188676 461167525 /nfs/dbraw/zinc/16/75/25/461167525.db2.gz LMSIWZNOCOJYOT-LBPRGKRZSA-N 2 2 336.842 3.232 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293798 461172862 /nfs/dbraw/zinc/17/28/62/461172862.db2.gz TUTYLJXRRAPCTJ-QGZVFWFLSA-N 2 2 332.492 3.329 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1cncc(C)n1 ZINC000649568224 461182660 /nfs/dbraw/zinc/18/26/60/461182660.db2.gz SSGJGMSHDOLEJF-SFHVURJKSA-N 2 2 335.455 3.150 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1cncc(C)n1 ZINC000649568224 461182665 /nfs/dbraw/zinc/18/26/65/461182665.db2.gz SSGJGMSHDOLEJF-SFHVURJKSA-N 2 2 335.455 3.150 20 0 EGADLP C[NH+]1CCN(c2ccc(CNc3cc(C(C)(C)C)cc[nH+]3)cn2)CC1 ZINC000641274314 461197819 /nfs/dbraw/zinc/19/78/19/461197819.db2.gz JLXJEJLORZDYEC-UHFFFAOYSA-N 2 2 339.487 3.138 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638031298 461206701 /nfs/dbraw/zinc/20/67/01/461206701.db2.gz OHMCUMWBNUEQBZ-HXUWFJFHSA-N 2 2 338.499 3.468 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638031298 461206705 /nfs/dbraw/zinc/20/67/05/461206705.db2.gz OHMCUMWBNUEQBZ-HXUWFJFHSA-N 2 2 338.499 3.468 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000668298192 461234572 /nfs/dbraw/zinc/23/45/72/461234572.db2.gz QFWLYBZAABISTA-IOMROCGXSA-N 2 2 346.515 3.249 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000668298192 461234582 /nfs/dbraw/zinc/23/45/82/461234582.db2.gz QFWLYBZAABISTA-IOMROCGXSA-N 2 2 346.515 3.249 20 0 EGADLP Cc1cc(C)c(NC(=O)NCCc2cn3c(cccc3C)[nH+]2)c(C)[nH+]1 ZINC000646408509 461242393 /nfs/dbraw/zinc/24/23/93/461242393.db2.gz VGWXWNGTCPJKLQ-UHFFFAOYSA-N 2 2 337.427 3.327 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292063 461350401 /nfs/dbraw/zinc/35/04/01/461350401.db2.gz UESMVWCHWJKXOD-TZIWHRDSSA-N 3 2 327.516 3.428 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292063 461350406 /nfs/dbraw/zinc/35/04/06/461350406.db2.gz UESMVWCHWJKXOD-TZIWHRDSSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000655694908 461367715 /nfs/dbraw/zinc/36/77/15/461367715.db2.gz IMESWHZGJAKORG-HIFRSBDPSA-N 2 2 340.414 3.192 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000655704534 461375792 /nfs/dbraw/zinc/37/57/92/461375792.db2.gz FGLHHKKLPFAPGC-UHFFFAOYSA-N 2 2 326.488 3.452 20 0 EGADLP CCOc1ccccc1[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655705114 461376802 /nfs/dbraw/zinc/37/68/02/461376802.db2.gz WETLTQHWAXZVLF-MJGOQNOKSA-N 2 2 332.488 3.379 20 0 EGADLP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655729618 461396203 /nfs/dbraw/zinc/39/62/03/461396203.db2.gz MCTQYISLMWTLQT-UFYCRDLUSA-N 2 2 332.463 3.305 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)sn1 ZINC000638448041 461433845 /nfs/dbraw/zinc/43/38/45/461433845.db2.gz RAYKDTMXHCLPTH-ZDUSSCGKSA-N 2 2 337.514 3.215 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)sn1 ZINC000638448041 461433855 /nfs/dbraw/zinc/43/38/55/461433855.db2.gz RAYKDTMXHCLPTH-ZDUSSCGKSA-N 2 2 337.514 3.215 20 0 EGADLP Fc1ccc(C2CC2)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771608 461435193 /nfs/dbraw/zinc/43/51/93/461435193.db2.gz NQIVCQIUYLYICM-LJQANCHMSA-N 2 2 332.463 3.436 20 0 EGADLP C[C@@H](C[NH2+]Cc1oc2ccccc2c1Br)C[NH+](C)C ZINC000655775736 461437622 /nfs/dbraw/zinc/43/76/22/461437622.db2.gz CNGIICNEOIWPLQ-NSHDSACASA-N 2 2 325.250 3.483 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc2O1 ZINC000655792745 461451560 /nfs/dbraw/zinc/45/15/60/461451560.db2.gz OGOZFYNDKUIMDF-SJLPKXTDSA-N 2 2 348.462 3.271 20 0 EGADLP C[C@H](Nc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1)c1ccccc1 ZINC000653076321 461489179 /nfs/dbraw/zinc/48/91/79/461489179.db2.gz RGCDJXPIXJFYCV-HNAYVOBHSA-N 2 2 340.471 3.077 20 0 EGADLP Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)c1 ZINC000653075376 461489221 /nfs/dbraw/zinc/48/92/21/461489221.db2.gz PCHDBALWNUJYTD-IBGZPJMESA-N 2 2 341.455 3.313 20 0 EGADLP O=c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c[nH]1 ZINC000631037835 461490320 /nfs/dbraw/zinc/49/03/20/461490320.db2.gz XWELEDHKTNHROD-UHFFFAOYSA-N 2 2 331.847 3.195 20 0 EGADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000631044257 461496801 /nfs/dbraw/zinc/49/68/01/461496801.db2.gz MGQZIXZIAJCCTM-UHFFFAOYSA-N 2 2 328.431 3.256 20 0 EGADLP Cc1ccccc1[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCC(C)CC1 ZINC000653089412 461497351 /nfs/dbraw/zinc/49/73/51/461497351.db2.gz HCTJGFISSZPLMQ-DGGFBBCUSA-N 2 2 345.531 3.258 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000655850457 461498212 /nfs/dbraw/zinc/49/82/12/461498212.db2.gz VSSFQEAGCPNHKV-LEWJYISDSA-N 2 2 327.516 3.258 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855031 461502792 /nfs/dbraw/zinc/50/27/92/461502792.db2.gz ALRLMBQXOWKACN-ACRUOGEOSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855031 461502796 /nfs/dbraw/zinc/50/27/96/461502796.db2.gz ALRLMBQXOWKACN-ACRUOGEOSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc2c(cc1C[NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)OCCCCO2 ZINC000655859051 461507358 /nfs/dbraw/zinc/50/73/58/461507358.db2.gz DFHQYQYTUYYMSZ-QZTJIDSGSA-N 2 2 330.472 3.345 20 0 EGADLP c1cc2c(cc1C[NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)OCCCCO2 ZINC000655859051 461507363 /nfs/dbraw/zinc/50/73/63/461507363.db2.gz DFHQYQYTUYYMSZ-QZTJIDSGSA-N 2 2 330.472 3.345 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000666301269 461557533 /nfs/dbraw/zinc/55/75/33/461557533.db2.gz KGAHAQJRZDXNER-QZTJIDSGSA-N 2 2 338.455 3.148 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1F ZINC000663344794 461574305 /nfs/dbraw/zinc/57/43/05/461574305.db2.gz XHOPVRQJQYJGJP-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCS[C@@H]3C)c[nH+]c12 ZINC000647258390 461595253 /nfs/dbraw/zinc/59/52/53/461595253.db2.gz BSLWJBWIRAGUKY-ZWNOBZJWSA-N 2 2 340.290 3.389 20 0 EGADLP c1ccc(C(OCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc2)cc1 ZINC000643069871 461602865 /nfs/dbraw/zinc/60/28/65/461602865.db2.gz YSELERLIZILBEZ-NQIIRXRSSA-N 2 2 336.479 3.476 20 0 EGADLP c1ccc(C(OCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c2ccccc2)cc1 ZINC000643069871 461602870 /nfs/dbraw/zinc/60/28/70/461602870.db2.gz YSELERLIZILBEZ-NQIIRXRSSA-N 2 2 336.479 3.476 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000663393580 461613897 /nfs/dbraw/zinc/61/38/97/461613897.db2.gz GHIJBQPYRHPHDZ-UHFFFAOYSA-N 2 2 348.450 3.261 20 0 EGADLP Brc1ccc2oc(C[NH2+]CCC[NH+]3CCCC3)nc2c1 ZINC000638848804 461614532 /nfs/dbraw/zinc/61/45/32/461614532.db2.gz MUUHZFAJVRKUEV-UHFFFAOYSA-N 2 2 338.249 3.166 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000653297939 461618346 /nfs/dbraw/zinc/61/83/46/461618346.db2.gz JWXJTBNFFWHUDB-NVXWUHKLSA-N 2 2 325.456 3.004 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000653297939 461618347 /nfs/dbraw/zinc/61/83/47/461618347.db2.gz JWXJTBNFFWHUDB-NVXWUHKLSA-N 2 2 325.456 3.004 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202722 461635655 /nfs/dbraw/zinc/63/56/55/461635655.db2.gz UWOCWRQCFLGFCG-WMLDXEAASA-N 2 2 328.447 3.343 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202722 461635663 /nfs/dbraw/zinc/63/56/63/461635663.db2.gz UWOCWRQCFLGFCG-WMLDXEAASA-N 2 2 328.447 3.343 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201757 461646022 /nfs/dbraw/zinc/64/60/22/461646022.db2.gz YJLCBFKZWDWCOT-CHWSQXEVSA-N 2 2 331.287 3.283 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)cn21 ZINC000647363541 461658763 /nfs/dbraw/zinc/65/87/63/461658763.db2.gz CNRCCENIUYKZGR-IAGOWNOFSA-N 2 2 337.471 3.235 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3oc4ccccc4c3Br)C[C@@H]2C1 ZINC000656258360 461681926 /nfs/dbraw/zinc/68/19/26/461681926.db2.gz QGWWGSHTRKHTBV-TXEJJXNPSA-N 2 2 335.245 3.189 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3oc4ccccc4c3Br)C[C@@H]2C1 ZINC000656258360 461681931 /nfs/dbraw/zinc/68/19/31/461681931.db2.gz QGWWGSHTRKHTBV-TXEJJXNPSA-N 2 2 335.245 3.189 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3oc4ccccc4c3Br)C[C@@H]2C1 ZINC000656258360 461681935 /nfs/dbraw/zinc/68/19/35/461681935.db2.gz QGWWGSHTRKHTBV-TXEJJXNPSA-N 2 2 335.245 3.189 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3oc4ccccc4c3Br)C[C@@H]2C1 ZINC000656258360 461681939 /nfs/dbraw/zinc/68/19/39/461681939.db2.gz QGWWGSHTRKHTBV-TXEJJXNPSA-N 2 2 335.245 3.189 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1C ZINC000656260535 461684003 /nfs/dbraw/zinc/68/40/03/461684003.db2.gz QUHNRXMDCPDTRF-FQEVSTJZSA-N 2 2 340.471 3.154 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)c1 ZINC000653509373 461688184 /nfs/dbraw/zinc/68/81/84/461688184.db2.gz DFUHSHMLLSSOBP-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)c1 ZINC000653509373 461688190 /nfs/dbraw/zinc/68/81/90/461688190.db2.gz DFUHSHMLLSSOBP-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP CC[N@@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@H]1C ZINC000663649241 461733933 /nfs/dbraw/zinc/73/39/33/461733933.db2.gz DZCMJQGXXKCGJL-MFKMUULPSA-N 2 2 341.297 3.165 20 0 EGADLP CC[N@H+]1CC[C@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@H]1C ZINC000663649241 461733940 /nfs/dbraw/zinc/73/39/40/461733940.db2.gz DZCMJQGXXKCGJL-MFKMUULPSA-N 2 2 341.297 3.165 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)c1O ZINC000656431573 461740311 /nfs/dbraw/zinc/74/03/11/461740311.db2.gz XZQAKZOIVSAIPP-AWEZNQCLSA-N 2 2 335.835 3.478 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)c1O ZINC000656431573 461740320 /nfs/dbraw/zinc/74/03/20/461740320.db2.gz XZQAKZOIVSAIPP-AWEZNQCLSA-N 2 2 335.835 3.478 20 0 EGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])CCO2 ZINC000643482505 461743650 /nfs/dbraw/zinc/74/36/50/461743650.db2.gz UHLLSDGNPXSAHN-YSGRDPCXSA-N 2 2 340.467 3.457 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000666664797 461747620 /nfs/dbraw/zinc/74/76/20/461747620.db2.gz MSFJBSUMXJLFRN-WBVHZDCISA-N 2 2 345.491 3.053 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000666664797 461747628 /nfs/dbraw/zinc/74/76/28/461747628.db2.gz MSFJBSUMXJLFRN-WBVHZDCISA-N 2 2 345.491 3.053 20 0 EGADLP CC(C)OCC[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663681478 461751606 /nfs/dbraw/zinc/75/16/06/461751606.db2.gz FWRHACYTEUXEJB-UHFFFAOYSA-N 2 2 328.460 3.118 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000643522383 461752040 /nfs/dbraw/zinc/75/20/40/461752040.db2.gz MJBPWPYDOWOPQQ-SWLSCSKDSA-N 2 2 333.867 3.022 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647542177 461754900 /nfs/dbraw/zinc/75/49/00/461754900.db2.gz LSQLWZLQCHUZFY-HUUCEWRRSA-N 2 2 332.394 3.483 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647542177 461754906 /nfs/dbraw/zinc/75/49/06/461754906.db2.gz LSQLWZLQCHUZFY-HUUCEWRRSA-N 2 2 332.394 3.483 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(C)cc1 ZINC000643546781 461758624 /nfs/dbraw/zinc/75/86/24/461758624.db2.gz UUZSXJDUTDALJL-DOTOQJQBSA-N 2 2 339.487 3.209 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547563 461761058 /nfs/dbraw/zinc/76/10/58/461761058.db2.gz HAXXKDIGYOXYJT-SJORKVTESA-N 2 2 344.890 3.427 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547834 461761236 /nfs/dbraw/zinc/76/12/36/461761236.db2.gz JOPJVHOEGNHNDG-XSDIEEQYSA-N 3 2 339.527 3.446 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547834 461761240 /nfs/dbraw/zinc/76/12/40/461761240.db2.gz JOPJVHOEGNHNDG-XSDIEEQYSA-N 3 2 339.527 3.446 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)cc1F ZINC000643548321 461761310 /nfs/dbraw/zinc/76/13/10/461761310.db2.gz NOXBVYXYHVGBKT-ZYHUDNBSSA-N 2 2 342.256 3.309 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cn21 ZINC000647553493 461764899 /nfs/dbraw/zinc/76/48/99/461764899.db2.gz BGJAJWBSULHZCE-QUCCMNQESA-N 3 2 334.467 3.268 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000639176367 461783628 /nfs/dbraw/zinc/78/36/28/461783628.db2.gz WAEUDBIQDFTMSB-GOSISDBHSA-N 2 2 327.476 3.260 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1cc(CO)cc(C)[nH+]1 ZINC000663747269 461786720 /nfs/dbraw/zinc/78/67/20/461786720.db2.gz UEHGREDTIBORGG-KRWDZBQOSA-N 2 2 336.439 3.209 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000666774135 461797115 /nfs/dbraw/zinc/79/71/15/461797115.db2.gz CAYHEORXDLYIJB-ZFWWWQNUSA-N 2 2 331.485 3.296 20 0 EGADLP CC[C@@H](OCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472560 461798835 /nfs/dbraw/zinc/79/88/35/461798835.db2.gz GUALLHZDRKZNBL-NHCUHLMSSA-N 2 2 346.515 3.341 20 0 EGADLP CC[C@@H](OCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472560 461798843 /nfs/dbraw/zinc/79/88/43/461798843.db2.gz GUALLHZDRKZNBL-NHCUHLMSSA-N 2 2 346.515 3.341 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474378 461800420 /nfs/dbraw/zinc/80/04/20/461800420.db2.gz IEMVJSLMSRPAFD-PMACEKPBSA-N 2 2 328.500 3.293 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474378 461800427 /nfs/dbraw/zinc/80/04/27/461800427.db2.gz IEMVJSLMSRPAFD-PMACEKPBSA-N 2 2 328.500 3.293 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2Cl)C1)[NH+]1CCCCCC1 ZINC000669917034 461837692 /nfs/dbraw/zinc/83/76/92/461837692.db2.gz IUUQYJKUDFUMNE-MAUKXSAKSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[NH+](C)C ZINC000656681287 461838623 /nfs/dbraw/zinc/83/86/23/461838623.db2.gz COCFTKDCCDUEKK-HNAYVOBHSA-N 2 2 343.446 3.435 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)n1-c1ccccc1 ZINC000639341488 461873272 /nfs/dbraw/zinc/87/32/72/461873272.db2.gz RIWUDKKGTPOBCZ-OAQYLSRUSA-N 2 2 348.450 3.367 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)n1-c1ccccc1 ZINC000639341488 461873281 /nfs/dbraw/zinc/87/32/81/461873281.db2.gz RIWUDKKGTPOBCZ-OAQYLSRUSA-N 2 2 348.450 3.367 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000647929669 461890417 /nfs/dbraw/zinc/89/04/17/461890417.db2.gz CDPPSHJDOPXHFR-INIZCTEOSA-N 2 2 327.428 3.011 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000647929669 461890422 /nfs/dbraw/zinc/89/04/22/461890422.db2.gz CDPPSHJDOPXHFR-INIZCTEOSA-N 2 2 327.428 3.011 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C1CCCC1 ZINC000666969719 461893661 /nfs/dbraw/zinc/89/36/61/461893661.db2.gz LDXCQAHNSJWFNZ-SFHVURJKSA-N 2 2 332.879 3.192 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000639376688 461895226 /nfs/dbraw/zinc/89/52/26/461895226.db2.gz UYWDTFAIVKLJRK-UHFFFAOYSA-N 2 2 326.488 3.483 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940889 461897352 /nfs/dbraw/zinc/89/73/52/461897352.db2.gz HUGSUPYKVNVOCK-MGPUTAFESA-N 2 2 332.463 3.388 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940889 461897360 /nfs/dbraw/zinc/89/73/60/461897360.db2.gz HUGSUPYKVNVOCK-MGPUTAFESA-N 2 2 332.463 3.388 20 0 EGADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647940218 461898406 /nfs/dbraw/zinc/89/84/06/461898406.db2.gz PQJVYFDAQNJVPL-QFBILLFUSA-N 2 2 337.467 3.351 20 0 EGADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647940218 461898410 /nfs/dbraw/zinc/89/84/10/461898410.db2.gz PQJVYFDAQNJVPL-QFBILLFUSA-N 2 2 337.467 3.351 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000656790495 461900610 /nfs/dbraw/zinc/90/06/10/461900610.db2.gz VVRCQYRSZYZGJB-RTBURBONSA-N 2 2 344.430 3.078 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660655097 461904460 /nfs/dbraw/zinc/90/44/60/461904460.db2.gz KKRKJHYYSJJZQK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660655097 461904467 /nfs/dbraw/zinc/90/44/67/461904467.db2.gz KKRKJHYYSJJZQK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655097 461904473 /nfs/dbraw/zinc/90/44/73/461904473.db2.gz KKRKJHYYSJJZQK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655097 461904476 /nfs/dbraw/zinc/90/44/76/461904476.db2.gz KKRKJHYYSJJZQK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000644569384 461989809 /nfs/dbraw/zinc/98/98/09/461989809.db2.gz MXQIFNNGPCPTEH-RBUKOAKNSA-N 2 2 342.483 3.044 20 0 EGADLP CC1CCN([C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)c2cccs2)CC1 ZINC000657289404 462020113 /nfs/dbraw/zinc/02/01/13/462020113.db2.gz GTJANFKLXXVIFV-QGZVFWFLSA-N 2 2 344.528 3.454 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(C4CC4)CC3)C2)cc1 ZINC000644720368 462050484 /nfs/dbraw/zinc/05/04/84/462050484.db2.gz YQIFGBMACZMOIV-NRFANRHFSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(C4CC4)CC3)C2)cc1 ZINC000644720368 462050487 /nfs/dbraw/zinc/05/04/87/462050487.db2.gz YQIFGBMACZMOIV-NRFANRHFSA-N 2 2 328.500 3.400 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccnn2CC2CC2)cc1F ZINC000657329603 462051722 /nfs/dbraw/zinc/05/17/22/462051722.db2.gz SVJXNLOMXNJAGR-UHFFFAOYSA-N 2 2 339.418 3.216 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382407 462084940 /nfs/dbraw/zinc/08/49/40/462084940.db2.gz JVTXVMJBDSEDQG-XLIONFOSSA-N 2 2 325.456 3.395 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2NCc2c[nH+]c3n2CCC3)C[C@@H](C)O1 ZINC000657405112 462100897 /nfs/dbraw/zinc/10/08/97/462100897.db2.gz BCYRPDXDBSEDTF-HZPDHXFCSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657412139 462106755 /nfs/dbraw/zinc/10/67/55/462106755.db2.gz BVCDNRCTKUSDFW-INIZCTEOSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000667494180 462111125 /nfs/dbraw/zinc/11/11/25/462111125.db2.gz PUCFGSXNIUAKKL-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1c(Br)cncc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000667494180 462111130 /nfs/dbraw/zinc/11/11/30/462111130.db2.gz PUCFGSXNIUAKKL-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422533 462113769 /nfs/dbraw/zinc/11/37/69/462113769.db2.gz WXSAZSUPQXDDSI-CXAGYDPISA-N 2 2 336.842 3.293 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422533 462113774 /nfs/dbraw/zinc/11/37/74/462113774.db2.gz WXSAZSUPQXDDSI-CXAGYDPISA-N 2 2 336.842 3.293 20 0 EGADLP Cc1ccc(NCc2[nH+]ccn2C(C)C)cc1NC(=O)CC[NH+](C)C ZINC000657438161 462124578 /nfs/dbraw/zinc/12/45/78/462124578.db2.gz VOPUNEHFOAEQLS-UHFFFAOYSA-N 2 2 343.475 3.275 20 0 EGADLP c1[nH+]c2n(c1C[NH+]1CCC(OCCc3ccccc3)CC1)CCC2 ZINC000667534585 462131750 /nfs/dbraw/zinc/13/17/50/462131750.db2.gz FQWVRCRFRUJMSS-UHFFFAOYSA-N 2 2 325.456 3.053 20 0 EGADLP Brc1cncc([C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000657459690 462137589 /nfs/dbraw/zinc/13/75/89/462137589.db2.gz BVJFMRQFGMKBNI-MRXNPFEDSA-N 2 2 347.260 3.228 20 0 EGADLP CCc1ccc([C@H](CNCc2c[nH+]c(C)n2C)[NH+](CC)CC)cc1 ZINC000657473771 462145144 /nfs/dbraw/zinc/14/51/44/462145144.db2.gz QVOYWOPQDFPBHG-FQEVSTJZSA-N 2 2 328.504 3.464 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@H]3c3cnn(C(C)C)c3)c[nH+]c12 ZINC000657510699 462162024 /nfs/dbraw/zinc/16/20/24/462162024.db2.gz UFKBIZRZNWQHOA-MSOLQXFVSA-N 2 2 339.443 3.040 20 0 EGADLP COc1ccc(CC[N@@H+](Cc2c[nH+]c(C)n2C)CC(C)C)cc1OC ZINC000667648398 462189648 /nfs/dbraw/zinc/18/96/48/462189648.db2.gz QZSCBPPMNBGPFJ-UHFFFAOYSA-N 2 2 345.487 3.446 20 0 EGADLP COc1ccc(CC[N@H+](Cc2c[nH+]c(C)n2C)CC(C)C)cc1OC ZINC000667648398 462189657 /nfs/dbraw/zinc/18/96/57/462189657.db2.gz QZSCBPPMNBGPFJ-UHFFFAOYSA-N 2 2 345.487 3.446 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981954 462203125 /nfs/dbraw/zinc/20/31/25/462203125.db2.gz WLHONWSAADFAEI-ADKAHSJRSA-N 2 2 335.536 3.020 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000639987386 462207579 /nfs/dbraw/zinc/20/75/79/462207579.db2.gz CPBNUEAELRHTNC-GOSISDBHSA-N 2 2 337.552 3.361 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000639988362 462207766 /nfs/dbraw/zinc/20/77/66/462207766.db2.gz PXTZLIIOZVMAPD-LJQANCHMSA-N 2 2 343.515 3.156 20 0 EGADLP CC[N@@H+](Cc1cnc(C)n1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667683957 462214011 /nfs/dbraw/zinc/21/40/11/462214011.db2.gz GMWITUJYXOUBEV-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cnc(C)n1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667683957 462214014 /nfs/dbraw/zinc/21/40/14/462214014.db2.gz GMWITUJYXOUBEV-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cnc(C)n1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667683957 462214021 /nfs/dbraw/zinc/21/40/21/462214021.db2.gz GMWITUJYXOUBEV-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cnc(C)n1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667683957 462214025 /nfs/dbraw/zinc/21/40/25/462214025.db2.gz GMWITUJYXOUBEV-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667695606 462218568 /nfs/dbraw/zinc/21/85/68/462218568.db2.gz XEZJIDIVNDSOAG-UHOSZYNNSA-N 2 2 332.488 3.159 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667695606 462218573 /nfs/dbraw/zinc/21/85/73/462218573.db2.gz XEZJIDIVNDSOAG-UHOSZYNNSA-N 2 2 332.488 3.159 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667695606 462218578 /nfs/dbraw/zinc/21/85/78/462218578.db2.gz XEZJIDIVNDSOAG-UHOSZYNNSA-N 2 2 332.488 3.159 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667695606 462218580 /nfs/dbraw/zinc/21/85/80/462218580.db2.gz XEZJIDIVNDSOAG-UHOSZYNNSA-N 2 2 332.488 3.159 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)c2c1C ZINC000645180501 462220241 /nfs/dbraw/zinc/22/02/41/462220241.db2.gz QMGKKNKZKLGKDS-KRWDZBQOSA-N 2 2 335.455 3.285 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)c2c1C ZINC000645180501 462220245 /nfs/dbraw/zinc/22/02/45/462220245.db2.gz QMGKKNKZKLGKDS-KRWDZBQOSA-N 2 2 335.455 3.285 20 0 EGADLP Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000664876092 462227745 /nfs/dbraw/zinc/22/77/45/462227745.db2.gz LLBPKHPWUMWJKC-UHFFFAOYSA-N 2 2 335.455 3.190 20 0 EGADLP Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000664876092 462227748 /nfs/dbraw/zinc/22/77/48/462227748.db2.gz LLBPKHPWUMWJKC-UHFFFAOYSA-N 2 2 335.455 3.190 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753063 462252340 /nfs/dbraw/zinc/25/23/40/462252340.db2.gz MWABYFZIMPQLHQ-LMMKCTJWSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753063 462252346 /nfs/dbraw/zinc/25/23/46/462252346.db2.gz MWABYFZIMPQLHQ-LMMKCTJWSA-N 2 2 343.515 3.059 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640099033 462257024 /nfs/dbraw/zinc/25/70/24/462257024.db2.gz HCOZTVKOMMTARY-AQNXPRMDSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640099033 462257029 /nfs/dbraw/zinc/25/70/29/462257029.db2.gz HCOZTVKOMMTARY-AQNXPRMDSA-N 2 2 325.456 3.306 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000657877795 462305540 /nfs/dbraw/zinc/30/55/40/462305540.db2.gz DRZLJEFMWFHCAC-DBXWQHBBSA-N 2 2 331.548 3.213 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000657877795 462305546 /nfs/dbraw/zinc/30/55/46/462305546.db2.gz DRZLJEFMWFHCAC-DBXWQHBBSA-N 2 2 331.548 3.213 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661650449 462349649 /nfs/dbraw/zinc/34/96/49/462349649.db2.gz UIZZADYNODMBME-LJQANCHMSA-N 2 2 326.488 3.213 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661650449 462349653 /nfs/dbraw/zinc/34/96/53/462349653.db2.gz UIZZADYNODMBME-LJQANCHMSA-N 2 2 326.488 3.213 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237833 462363899 /nfs/dbraw/zinc/36/38/99/462363899.db2.gz KWCJPEDFUQNEIU-IAOVAPTHSA-N 2 2 344.421 3.425 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248034 462367862 /nfs/dbraw/zinc/36/78/62/462367862.db2.gz NTMCGROYDKCQGU-XUVXKRRUSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248034 462367865 /nfs/dbraw/zinc/36/78/65/462367865.db2.gz NTMCGROYDKCQGU-XUVXKRRUSA-N 3 2 327.516 3.148 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCc3cccnc32)cc1F ZINC000665252910 462369867 /nfs/dbraw/zinc/36/98/67/462369867.db2.gz ABPNJBRQWZPERW-SNRMKQJTSA-N 2 2 343.421 3.473 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCCC[C@@H]3[C@H](C)C[NH+](C)C)cc2[nH+]1 ZINC000640372287 462376934 /nfs/dbraw/zinc/37/69/34/462376934.db2.gz GUCZVTDHZLJJKO-RHSMWYFYSA-N 2 2 343.475 3.227 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097368 462381816 /nfs/dbraw/zinc/38/18/16/462381816.db2.gz WUMTWELMOIBPMQ-RHSMWYFYSA-N 2 2 334.504 3.406 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097368 462381822 /nfs/dbraw/zinc/38/18/22/462381822.db2.gz WUMTWELMOIBPMQ-RHSMWYFYSA-N 2 2 334.504 3.406 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000665296855 462389887 /nfs/dbraw/zinc/38/98/87/462389887.db2.gz YUMQUKIMPOXLPA-MGPUTAFESA-N 2 2 328.456 3.185 20 0 EGADLP CC(=O)c1cccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640533796 462432310 /nfs/dbraw/zinc/43/23/10/462432310.db2.gz VEFVQYZWDMIXRB-UHFFFAOYSA-N 2 2 345.487 3.026 20 0 EGADLP CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640533796 462432315 /nfs/dbraw/zinc/43/23/15/462432315.db2.gz VEFVQYZWDMIXRB-UHFFFAOYSA-N 2 2 345.487 3.026 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286783 462456203 /nfs/dbraw/zinc/45/62/03/462456203.db2.gz VBUAHJLMNYINHM-JKSUJKDBSA-N 2 2 336.476 3.237 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286783 462456207 /nfs/dbraw/zinc/45/62/07/462456207.db2.gz VBUAHJLMNYINHM-JKSUJKDBSA-N 2 2 336.476 3.237 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293345 462459887 /nfs/dbraw/zinc/45/98/87/462459887.db2.gz FUGIQNOWFZIIRK-SFTDATJTSA-N 2 2 328.500 3.159 20 0 EGADLP C1CCC(OC2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)C1 ZINC000658293726 462460065 /nfs/dbraw/zinc/46/00/65/462460065.db2.gz BGHLVHVDAHBVHF-IPCDKGFNSA-N 2 2 336.520 3.100 20 0 EGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293490 462460188 /nfs/dbraw/zinc/46/01/88/462460188.db2.gz ATAHWNJKUTZYEZ-VGSWGCGISA-N 2 2 342.527 3.339 20 0 EGADLP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000658294607 462460413 /nfs/dbraw/zinc/46/04/13/462460413.db2.gz OGAZSOSIPBDNKL-LEWJYISDSA-N 2 2 330.516 3.405 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccncc2s1 ZINC000658296187 462462429 /nfs/dbraw/zinc/46/24/29/462462429.db2.gz QYQLOBJYWWAARA-CJNGLKHVSA-N 2 2 331.485 3.200 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462757 478393234 /nfs/dbraw/zinc/39/32/34/478393234.db2.gz DSMMIBPGCDIAAQ-WMZOPIPTSA-N 2 2 340.471 3.301 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462757 478393238 /nfs/dbraw/zinc/39/32/38/478393238.db2.gz DSMMIBPGCDIAAQ-WMZOPIPTSA-N 2 2 340.471 3.301 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F)C[NH+]1CCOCC1 ZINC000153330367 534125325 /nfs/dbraw/zinc/12/53/25/534125325.db2.gz RVGNTSGKPWWHLX-CHWSQXEVSA-N 2 2 346.393 3.046 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Br ZINC000427890283 518183628 /nfs/dbraw/zinc/18/36/28/518183628.db2.gz ISUWDIGOSABAIY-JQWIXIFHSA-N 2 2 338.224 3.450 20 0 EGADLP Cc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c2cccc(F)c2[nH+]1 ZINC000333692089 518187500 /nfs/dbraw/zinc/18/75/00/518187500.db2.gz PURXFNAOILFXJU-PXNSSMCTSA-N 2 2 343.446 3.405 20 0 EGADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186828692 528608689 /nfs/dbraw/zinc/60/86/89/528608689.db2.gz QPPGQNCONNKELC-WOJBJXKFSA-N 2 2 331.504 3.229 20 0 EGADLP CC(C)Cn1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cn1 ZINC000181794476 528710541 /nfs/dbraw/zinc/71/05/41/528710541.db2.gz VIOUCTSCWNZVFG-UHFFFAOYSA-N 2 2 325.460 3.148 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1F ZINC000191477693 528866564 /nfs/dbraw/zinc/86/65/64/528866564.db2.gz KNUFUFFANPBVJL-GOSISDBHSA-N 2 2 347.434 3.211 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1F ZINC000191477693 528866569 /nfs/dbraw/zinc/86/65/69/528866569.db2.gz KNUFUFFANPBVJL-GOSISDBHSA-N 2 2 347.434 3.211 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)CC1 ZINC000130423155 529151606 /nfs/dbraw/zinc/15/16/06/529151606.db2.gz GYKYEAPSRZGYRY-MRXNPFEDSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)CC1 ZINC000130423155 529151607 /nfs/dbraw/zinc/15/16/07/529151607.db2.gz GYKYEAPSRZGYRY-MRXNPFEDSA-N 2 2 342.314 3.205 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254963 535252232 /nfs/dbraw/zinc/25/22/32/535252232.db2.gz HQVGNCJRECXSER-YJBOKZPZSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254963 535252236 /nfs/dbraw/zinc/25/22/36/535252236.db2.gz HQVGNCJRECXSER-YJBOKZPZSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254963 535252239 /nfs/dbraw/zinc/25/22/39/535252239.db2.gz HQVGNCJRECXSER-YJBOKZPZSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC(C)(C)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254963 535252244 /nfs/dbraw/zinc/25/22/44/535252244.db2.gz HQVGNCJRECXSER-YJBOKZPZSA-N 2 2 349.544 3.299 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445989 535293273 /nfs/dbraw/zinc/29/32/73/535293273.db2.gz FDVRBXKXUFLSSR-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445989 535293274 /nfs/dbraw/zinc/29/32/74/535293274.db2.gz FDVRBXKXUFLSSR-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP COC1(C[NH2+]C[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CCOCC1 ZINC000342297995 536676813 /nfs/dbraw/zinc/67/68/13/536676813.db2.gz KVMIDDMFQSSWIK-FQEVSTJZSA-N 2 2 348.531 3.273 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000090187084 546653933 /nfs/dbraw/zinc/65/39/33/546653933.db2.gz SDVHOLIVEMSDMY-PMACEKPBSA-N 2 2 346.515 3.072 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000090187084 546653935 /nfs/dbraw/zinc/65/39/35/546653935.db2.gz SDVHOLIVEMSDMY-PMACEKPBSA-N 2 2 346.515 3.072 20 0 EGADLP Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000093459658 546684841 /nfs/dbraw/zinc/68/48/41/546684841.db2.gz BFPVMWCPFXDOTF-LJQANCHMSA-N 2 2 344.455 3.102 20 0 EGADLP Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000093459658 546684844 /nfs/dbraw/zinc/68/48/44/546684844.db2.gz BFPVMWCPFXDOTF-LJQANCHMSA-N 2 2 344.455 3.102 20 0 EGADLP Cc1nc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cs1 ZINC000126577867 546760895 /nfs/dbraw/zinc/76/08/95/546760895.db2.gz DNQILEYJRDRNGJ-UHFFFAOYSA-N 2 2 333.476 3.387 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000165035706 546984641 /nfs/dbraw/zinc/98/46/41/546984641.db2.gz VSUPODBEGIUGBJ-KRWDZBQOSA-N 2 2 349.906 3.299 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000166940324 546989453 /nfs/dbraw/zinc/98/94/53/546989453.db2.gz MUGOEDASQJPAPE-LBPRGKRZSA-N 2 2 331.803 3.465 20 0 EGADLP CCc1nn(C)cc1C[N@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582177 547058097 /nfs/dbraw/zinc/05/80/97/547058097.db2.gz GGKVPFBJQAHJPG-IBGZPJMESA-N 2 2 340.515 3.327 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582177 547058100 /nfs/dbraw/zinc/05/81/00/547058100.db2.gz GGKVPFBJQAHJPG-IBGZPJMESA-N 2 2 340.515 3.327 20 0 EGADLP CCc1nn(C)cc1C[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180582177 547058105 /nfs/dbraw/zinc/05/81/05/547058105.db2.gz GGKVPFBJQAHJPG-IBGZPJMESA-N 2 2 340.515 3.327 20 0 EGADLP CCc1nn(C)cc1C[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180582177 547058110 /nfs/dbraw/zinc/05/81/10/547058110.db2.gz GGKVPFBJQAHJPG-IBGZPJMESA-N 2 2 340.515 3.327 20 0 EGADLP CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCO2 ZINC000187547628 547140737 /nfs/dbraw/zinc/14/07/37/547140737.db2.gz VTGMABKWLMBWFS-QGZVFWFLSA-N 2 2 327.428 3.160 20 0 EGADLP Cn1cc([C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc2)cn1 ZINC000273203962 547348241 /nfs/dbraw/zinc/34/82/41/547348241.db2.gz RYBXGGNEBQZOBQ-LJQANCHMSA-N 2 2 326.488 3.362 20 0 EGADLP C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1[nH]cc[nH+]1 ZINC000286129648 547391367 /nfs/dbraw/zinc/39/13/67/547391367.db2.gz NXPIEZLWNKZNTC-OAHLLOKOSA-N 2 2 341.459 3.397 20 0 EGADLP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361889843 547766377 /nfs/dbraw/zinc/76/63/77/547766377.db2.gz BXMKXLVPLGKIGJ-NHCUHLMSSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361889843 547766383 /nfs/dbraw/zinc/76/63/83/547766383.db2.gz BXMKXLVPLGKIGJ-NHCUHLMSSA-N 2 2 340.442 3.040 20 0 EGADLP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ncc1Br ZINC000628273241 548137048 /nfs/dbraw/zinc/13/70/48/548137048.db2.gz MVQUNODYSYJWNN-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ncc1Br ZINC000628273241 548137057 /nfs/dbraw/zinc/13/70/57/548137057.db2.gz MVQUNODYSYJWNN-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000628273241 548137062 /nfs/dbraw/zinc/13/70/62/548137062.db2.gz MVQUNODYSYJWNN-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1Br ZINC000628273241 548137067 /nfs/dbraw/zinc/13/70/67/548137067.db2.gz MVQUNODYSYJWNN-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000670271727 548195625 /nfs/dbraw/zinc/19/56/25/548195625.db2.gz GXKADFWAJGCBFA-UHFFFAOYSA-N 2 2 344.430 3.161 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000670271727 548195627 /nfs/dbraw/zinc/19/56/27/548195627.db2.gz GXKADFWAJGCBFA-UHFFFAOYSA-N 2 2 344.430 3.161 20 0 EGADLP Cc1cccc2[nH+]c(CN3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)cn21 ZINC000674250867 548711616 /nfs/dbraw/zinc/71/16/16/548711616.db2.gz HKJICKUYXUASGW-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccc2[nH+]c(CN3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)cn21 ZINC000674250867 548711620 /nfs/dbraw/zinc/71/16/20/548711620.db2.gz HKJICKUYXUASGW-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839264 549164228 /nfs/dbraw/zinc/16/42/28/549164228.db2.gz JTCKVLPBWMLDQA-IFXJQAMLSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839264 549164231 /nfs/dbraw/zinc/16/42/31/549164231.db2.gz JTCKVLPBWMLDQA-IFXJQAMLSA-N 2 2 345.512 3.048 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000677737018 549324699 /nfs/dbraw/zinc/32/46/99/549324699.db2.gz JEQMMVIERBOMJL-UHFFFAOYSA-N 2 2 347.466 3.403 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781853 549560928 /nfs/dbraw/zinc/56/09/28/549560928.db2.gz BSCZWTCTXDTYGJ-YLJYHZDGSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781853 549560930 /nfs/dbraw/zinc/56/09/30/549560930.db2.gz BSCZWTCTXDTYGJ-YLJYHZDGSA-N 2 2 348.437 3.498 20 0 EGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401526 549992990 /nfs/dbraw/zinc/99/29/90/549992990.db2.gz HIDFNIDNAMEFIP-UWJYYQICSA-N 3 2 329.532 3.217 20 0 EGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401526 549992994 /nfs/dbraw/zinc/99/29/94/549992994.db2.gz HIDFNIDNAMEFIP-UWJYYQICSA-N 3 2 329.532 3.217 20 0 EGADLP CCc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000681755625 550033344 /nfs/dbraw/zinc/03/33/44/550033344.db2.gz IEBZJDSGUSMKTM-HXUWFJFHSA-N 2 2 344.524 3.379 20 0 EGADLP CCc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000681755625 550033345 /nfs/dbraw/zinc/03/33/45/550033345.db2.gz IEBZJDSGUSMKTM-HXUWFJFHSA-N 2 2 344.524 3.379 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000681755625 550033346 /nfs/dbraw/zinc/03/33/46/550033346.db2.gz IEBZJDSGUSMKTM-HXUWFJFHSA-N 2 2 344.524 3.379 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000681755625 550033349 /nfs/dbraw/zinc/03/33/49/550033349.db2.gz IEBZJDSGUSMKTM-HXUWFJFHSA-N 2 2 344.524 3.379 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)nc1 ZINC000683765720 550259031 /nfs/dbraw/zinc/25/90/31/550259031.db2.gz ATUUBVVHLSJQEU-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP C[NH+](C)CCOc1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1 ZINC000684904574 550383351 /nfs/dbraw/zinc/38/33/51/550383351.db2.gz ZZWLOHPYQCTIDD-UHFFFAOYSA-N 2 2 349.438 3.091 20 0 EGADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000684953550 550387626 /nfs/dbraw/zinc/38/76/26/550387626.db2.gz OGHDODHYTGTJAR-FQEVSTJZSA-N 2 2 337.467 3.081 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796474 574571996 /nfs/dbraw/zinc/57/19/96/574571996.db2.gz AXQVJHWWFXTZOV-QUCCMNQESA-N 2 2 342.483 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796474 574571997 /nfs/dbraw/zinc/57/19/97/574571997.db2.gz AXQVJHWWFXTZOV-QUCCMNQESA-N 2 2 342.483 3.229 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728115881 574717976 /nfs/dbraw/zinc/71/79/76/574717976.db2.gz VGZPANFZTXDLSI-PBHICJAKSA-N 2 2 342.405 3.299 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728115881 574717978 /nfs/dbraw/zinc/71/79/78/574717978.db2.gz VGZPANFZTXDLSI-PBHICJAKSA-N 2 2 342.405 3.299 20 0 EGADLP O[C@@H](C[N@H+](Cc1ccccc1F)C1CCCCC1)C[NH+]1CCCC1 ZINC000729543361 574870448 /nfs/dbraw/zinc/87/04/48/574870448.db2.gz QIMQDODCPJVTPO-LJQANCHMSA-N 2 2 334.479 3.417 20 0 EGADLP O[C@@H](C[N@@H+](Cc1ccccc1F)C1CCCCC1)C[NH+]1CCCC1 ZINC000729543361 574870449 /nfs/dbraw/zinc/87/04/49/574870449.db2.gz QIMQDODCPJVTPO-LJQANCHMSA-N 2 2 334.479 3.417 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000735870953 575728734 /nfs/dbraw/zinc/72/87/34/575728734.db2.gz SWPWCEXSRHIMND-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000735870953 575728736 /nfs/dbraw/zinc/72/87/36/575728736.db2.gz SWPWCEXSRHIMND-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000735870953 575728738 /nfs/dbraw/zinc/72/87/38/575728738.db2.gz SWPWCEXSRHIMND-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000735870953 575728740 /nfs/dbraw/zinc/72/87/40/575728740.db2.gz SWPWCEXSRHIMND-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cscn1 ZINC000678997369 576172350 /nfs/dbraw/zinc/17/23/50/576172350.db2.gz BOOFCJPYMRXABS-UHFFFAOYSA-N 2 2 329.473 3.447 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000743266456 576804848 /nfs/dbraw/zinc/80/48/48/576804848.db2.gz NHVQPDNAUXJXDH-SFHVURJKSA-N 2 2 329.831 3.321 20 0 EGADLP CN(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccsc1 ZINC000045822231 1291518094 /nfs/dbraw/zinc/51/80/94/1291518094.db2.gz BEEMENCLURKCND-GOSISDBHSA-N 2 2 326.469 3.326 20 0 EGADLP C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000052822633 1291712623 /nfs/dbraw/zinc/71/26/23/1291712623.db2.gz ACXLXYUVPVDWRR-YOEHRIQHSA-N 2 2 346.862 3.051 20 0 EGADLP CN(C)c1ncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000077327636 1292460034 /nfs/dbraw/zinc/46/00/34/1292460034.db2.gz GGNQZSBEMZSRSM-UHFFFAOYSA-N 2 2 344.528 3.006 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091064191 1292813935 /nfs/dbraw/zinc/81/39/35/1292813935.db2.gz LNEVXZCUNAWZPE-GOSISDBHSA-N 2 2 326.488 3.330 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091064191 1292813944 /nfs/dbraw/zinc/81/39/44/1292813944.db2.gz LNEVXZCUNAWZPE-GOSISDBHSA-N 2 2 326.488 3.330 20 0 EGADLP [NH3+]CCCCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000831461459 1292866271 /nfs/dbraw/zinc/86/62/71/1292866271.db2.gz PUCJHVWFWRPBNI-UHFFFAOYSA-N 2 2 338.455 3.450 20 0 EGADLP C[N@H+](C[C@@H](O)c1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480853 1293166718 /nfs/dbraw/zinc/16/67/18/1293166718.db2.gz ZXHUOLPWZMMSQU-OAQYLSRUSA-N 2 2 342.458 3.456 20 0 EGADLP C[N@@H+](C[C@@H](O)c1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480853 1293166722 /nfs/dbraw/zinc/16/67/22/1293166722.db2.gz ZXHUOLPWZMMSQU-OAQYLSRUSA-N 2 2 342.458 3.456 20 0 EGADLP Cn1c(Cl)nc(Cl)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000131287255 1293685819 /nfs/dbraw/zinc/68/58/19/1293685819.db2.gz NJURELXXYJZCBD-UHFFFAOYSA-N 2 2 333.307 3.281 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nc1 ZINC000134286531 1293769782 /nfs/dbraw/zinc/76/97/82/1293769782.db2.gz OQYVFGMOUXCNPL-INIZCTEOSA-N 2 2 342.462 3.132 20 0 EGADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2c(F)cccc2Cl)ccn1 ZINC000136212014 1293812897 /nfs/dbraw/zinc/81/28/97/1293812897.db2.gz QUQJRSWIARQQRV-UHFFFAOYSA-N 2 2 337.826 3.104 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000136275536 1293814007 /nfs/dbraw/zinc/81/40/07/1293814007.db2.gz XOXOQWHFVUCAKI-UHFFFAOYSA-N 2 2 328.859 3.458 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160820780 1294279143 /nfs/dbraw/zinc/27/91/43/1294279143.db2.gz XCUWPOGKMFYMHV-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160820780 1294279146 /nfs/dbraw/zinc/27/91/46/1294279146.db2.gz XCUWPOGKMFYMHV-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182715923 1295069392 /nfs/dbraw/zinc/06/93/92/1295069392.db2.gz CRQIUOQOHRUCQA-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)[C@H](C)C1 ZINC000187019852 1295362868 /nfs/dbraw/zinc/36/28/68/1295362868.db2.gz QXLIMWPFZDXJLX-OCCSQVGLSA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)[C@H](C)C1 ZINC000187019852 1295362872 /nfs/dbraw/zinc/36/28/72/1295362872.db2.gz QXLIMWPFZDXJLX-OCCSQVGLSA-N 2 2 331.913 3.023 20 0 EGADLP [NH3+]CCCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000188107421 1295437523 /nfs/dbraw/zinc/43/75/23/1295437523.db2.gz VROCPHKXJVFPFV-UHFFFAOYSA-N 2 2 326.444 3.344 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237740143 1296260383 /nfs/dbraw/zinc/26/03/83/1296260383.db2.gz BUVLIJSBAAYKBR-QGZVFWFLSA-N 2 2 346.906 3.036 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237740143 1296260390 /nfs/dbraw/zinc/26/03/90/1296260390.db2.gz BUVLIJSBAAYKBR-QGZVFWFLSA-N 2 2 346.906 3.036 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561819 1296419620 /nfs/dbraw/zinc/41/96/20/1296419620.db2.gz NGBGRLYNNLPBEY-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561819 1296419625 /nfs/dbraw/zinc/41/96/25/1296419625.db2.gz NGBGRLYNNLPBEY-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561819 1296419629 /nfs/dbraw/zinc/41/96/29/1296419629.db2.gz NGBGRLYNNLPBEY-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561819 1296419630 /nfs/dbraw/zinc/41/96/30/1296419630.db2.gz NGBGRLYNNLPBEY-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(O)ccc2F)[C@@H](C)C1 ZINC000872033553 1296682648 /nfs/dbraw/zinc/68/26/48/1296682648.db2.gz FGSIJUZNIDZDGN-KHYOSLBOSA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(O)ccc2F)[C@@H](C)C1 ZINC000872033553 1296682663 /nfs/dbraw/zinc/68/26/63/1296682663.db2.gz FGSIJUZNIDZDGN-KHYOSLBOSA-N 2 2 338.467 3.319 20 0 EGADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(O)ccc1F ZINC000872072453 1296717774 /nfs/dbraw/zinc/71/77/74/1296717774.db2.gz GLLHADKWMSDXDQ-AWEZNQCLSA-N 2 2 347.434 3.108 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309991894 1297080065 /nfs/dbraw/zinc/08/00/65/1297080065.db2.gz DUYPKZLAHIPRGZ-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000310276854 1297093439 /nfs/dbraw/zinc/09/34/39/1297093439.db2.gz JWMQGIZBVWEUEV-QGZVFWFLSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000310276854 1297093456 /nfs/dbraw/zinc/09/34/56/1297093456.db2.gz JWMQGIZBVWEUEV-QGZVFWFLSA-N 2 2 346.906 3.384 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000327114338 1297244234 /nfs/dbraw/zinc/24/42/34/1297244234.db2.gz GHJOCOJMMACSNG-UXHICEINSA-N 2 2 346.515 3.387 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000390701964 1297630707 /nfs/dbraw/zinc/63/07/07/1297630707.db2.gz MKSBHHGBZMWWBG-DLBZAZTESA-N 2 2 339.524 3.145 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059426 1297713209 /nfs/dbraw/zinc/71/32/09/1297713209.db2.gz AXVJNWZAEJSQGT-NQIIRXRSSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059426 1297713212 /nfs/dbraw/zinc/71/32/12/1297713212.db2.gz AXVJNWZAEJSQGT-NQIIRXRSSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+](CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000400364872 1297729557 /nfs/dbraw/zinc/72/95/57/1297729557.db2.gz RFNPDVPHMGJEKE-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000400364872 1297729561 /nfs/dbraw/zinc/72/95/61/1297729561.db2.gz RFNPDVPHMGJEKE-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248648 1297763670 /nfs/dbraw/zinc/76/36/70/1297763670.db2.gz IQDUIYOFVVJYRX-GBESFXJTSA-N 3 2 327.516 3.147 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405248648 1297763677 /nfs/dbraw/zinc/76/36/77/1297763677.db2.gz IQDUIYOFVVJYRX-GBESFXJTSA-N 3 2 327.516 3.147 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415135927 1297778987 /nfs/dbraw/zinc/77/89/87/1297778987.db2.gz KXJAUJAGYWBSRA-NRFANRHFSA-N 2 2 332.451 3.353 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415135927 1297779009 /nfs/dbraw/zinc/77/90/09/1297779009.db2.gz KXJAUJAGYWBSRA-NRFANRHFSA-N 2 2 332.451 3.353 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139908 1298140863 /nfs/dbraw/zinc/14/08/63/1298140863.db2.gz HJVYGQIZZMFLPH-HOTGVXAUSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139908 1298140872 /nfs/dbraw/zinc/14/08/72/1298140872.db2.gz HJVYGQIZZMFLPH-HOTGVXAUSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693877445 1298153038 /nfs/dbraw/zinc/15/30/38/1298153038.db2.gz KUCSEFATVRSOFE-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693877445 1298153041 /nfs/dbraw/zinc/15/30/41/1298153041.db2.gz KUCSEFATVRSOFE-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746196349 1298551336 /nfs/dbraw/zinc/55/13/36/1298551336.db2.gz APBGXFZNXJREMQ-HXUWFJFHSA-N 2 2 336.479 3.386 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746196349 1298551345 /nfs/dbraw/zinc/55/13/45/1298551345.db2.gz APBGXFZNXJREMQ-HXUWFJFHSA-N 2 2 336.479 3.386 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000876756664 1298962776 /nfs/dbraw/zinc/96/27/76/1298962776.db2.gz VVGDICSIDFCSDW-UHFFFAOYSA-N 2 2 345.878 3.264 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000876756664 1298962781 /nfs/dbraw/zinc/96/27/81/1298962781.db2.gz VVGDICSIDFCSDW-UHFFFAOYSA-N 2 2 345.878 3.264 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000877479674 1299331678 /nfs/dbraw/zinc/33/16/78/1299331678.db2.gz XPLHOEAEZFFCNU-INIZCTEOSA-N 2 2 348.441 3.281 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000877479674 1299331685 /nfs/dbraw/zinc/33/16/85/1299331685.db2.gz XPLHOEAEZFFCNU-INIZCTEOSA-N 2 2 348.441 3.281 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743837 1299520927 /nfs/dbraw/zinc/52/09/27/1299520927.db2.gz NBUCHHGUQOHZLH-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743837 1299520934 /nfs/dbraw/zinc/52/09/34/1299520934.db2.gz NBUCHHGUQOHZLH-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1OCC(C)C ZINC000877743837 1299520941 /nfs/dbraw/zinc/52/09/41/1299520941.db2.gz NBUCHHGUQOHZLH-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1OCC(C)C ZINC000877743837 1299520949 /nfs/dbraw/zinc/52/09/49/1299520949.db2.gz NBUCHHGUQOHZLH-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000752310133 1299721687 /nfs/dbraw/zinc/72/16/87/1299721687.db2.gz SKYAHIHMYJWBPX-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878662235 1300131875 /nfs/dbraw/zinc/13/18/75/1300131875.db2.gz NJHCOABTBSJZNU-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878662235 1300131885 /nfs/dbraw/zinc/13/18/85/1300131885.db2.gz NJHCOABTBSJZNU-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878662235 1300131892 /nfs/dbraw/zinc/13/18/92/1300131892.db2.gz NJHCOABTBSJZNU-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878662235 1300131895 /nfs/dbraw/zinc/13/18/95/1300131895.db2.gz NJHCOABTBSJZNU-QUCCMNQESA-N 2 2 329.488 3.130 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)Cn1cc[nH+]c1 ZINC000756107053 1300440127 /nfs/dbraw/zinc/44/01/27/1300440127.db2.gz OKLPQFPDWDPVNE-AWEZNQCLSA-N 2 2 345.447 3.051 20 0 EGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135182 1300943355 /nfs/dbraw/zinc/94/33/55/1300943355.db2.gz RGFXJPIUCHUDGS-WOJBJXKFSA-N 2 2 337.467 3.337 20 0 EGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135182 1300943361 /nfs/dbraw/zinc/94/33/61/1300943361.db2.gz RGFXJPIUCHUDGS-WOJBJXKFSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135182 1300943366 /nfs/dbraw/zinc/94/33/66/1300943366.db2.gz RGFXJPIUCHUDGS-WOJBJXKFSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135182 1300943370 /nfs/dbraw/zinc/94/33/70/1300943370.db2.gz RGFXJPIUCHUDGS-WOJBJXKFSA-N 2 2 337.467 3.337 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000882950126 1302179919 /nfs/dbraw/zinc/17/99/19/1302179919.db2.gz WSELGBIWUHCSDF-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP C[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[NH+]1CCCCC1 ZINC000765252021 1302229756 /nfs/dbraw/zinc/22/97/56/1302229756.db2.gz PABFDRKWNBLNRA-BQJIDLTASA-N 2 2 341.499 3.283 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883388091 1302425703 /nfs/dbraw/zinc/42/57/03/1302425703.db2.gz LWYDAOSYBWPVAC-QFBILLFUSA-N 2 2 336.439 3.249 20 0 EGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1OC ZINC000883398836 1302431889 /nfs/dbraw/zinc/43/18/89/1302431889.db2.gz WZJGBOMQDXRTEF-SFHVURJKSA-N 2 2 337.423 3.431 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCC[C@@H]1C1OCCO1 ZINC000769299175 1303088751 /nfs/dbraw/zinc/08/87/51/1303088751.db2.gz VOPFNQMIXUEZNP-LJQANCHMSA-N 2 2 346.515 3.372 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCC[C@@H]1C1OCCO1 ZINC000769299175 1303088759 /nfs/dbraw/zinc/08/87/59/1303088759.db2.gz VOPFNQMIXUEZNP-LJQANCHMSA-N 2 2 346.515 3.372 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000769299175 1303088763 /nfs/dbraw/zinc/08/87/63/1303088763.db2.gz VOPFNQMIXUEZNP-LJQANCHMSA-N 2 2 346.515 3.372 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000769299175 1303088767 /nfs/dbraw/zinc/08/87/67/1303088767.db2.gz VOPFNQMIXUEZNP-LJQANCHMSA-N 2 2 346.515 3.372 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516966 1303133079 /nfs/dbraw/zinc/13/30/79/1303133079.db2.gz WYKRXXBDRJFYTA-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516966 1303133083 /nfs/dbraw/zinc/13/30/83/1303133083.db2.gz WYKRXXBDRJFYTA-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516966 1303133088 /nfs/dbraw/zinc/13/30/88/1303133088.db2.gz WYKRXXBDRJFYTA-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516966 1303133094 /nfs/dbraw/zinc/13/30/94/1303133094.db2.gz WYKRXXBDRJFYTA-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)CC3CCCCC3)CC2)[nH+]c1C ZINC000886665888 1303546889 /nfs/dbraw/zinc/54/68/89/1303546889.db2.gz IYZGXYWVKMRGRO-UHFFFAOYSA-N 2 2 346.519 3.245 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)NCC3CCCCC3)CC2)[nH+]c1C ZINC000886670510 1303550068 /nfs/dbraw/zinc/55/00/68/1303550068.db2.gz QOXNWQOBWAWNEM-INIZCTEOSA-N 2 2 346.519 3.291 20 0 EGADLP CCC(CC)(CO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773103376 1303624790 /nfs/dbraw/zinc/62/47/90/1303624790.db2.gz PFPFSQGIRUXNMA-UHFFFAOYSA-N 2 2 333.520 3.110 20 0 EGADLP CO[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000775420563 1303961785 /nfs/dbraw/zinc/96/17/85/1303961785.db2.gz YCINIORYYLYYGA-JXFKEZNVSA-N 2 2 331.504 3.126 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1c(-c3ccccc3)nc3sccn13)CC2 ZINC000778253799 1304428590 /nfs/dbraw/zinc/42/85/90/1304428590.db2.gz TUDWNYLYHGBJEL-OAHLLOKOSA-N 2 2 349.463 3.364 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000783974707 1305169651 /nfs/dbraw/zinc/16/96/51/1305169651.db2.gz RRWNYEZIPNWKPO-APWZRJJASA-N 2 2 340.471 3.071 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000892946498 1305620795 /nfs/dbraw/zinc/62/07/95/1305620795.db2.gz DNYQJLXNIAJPPZ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000892946498 1305620800 /nfs/dbraw/zinc/62/08/00/1305620800.db2.gz DNYQJLXNIAJPPZ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C(C)(C)C ZINC000786912651 1305654787 /nfs/dbraw/zinc/65/47/87/1305654787.db2.gz SULAWWUDZDZEIM-QAPCUYQASA-N 2 2 348.535 3.241 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893099139 1305706208 /nfs/dbraw/zinc/70/62/08/1305706208.db2.gz WKUNLTRBJDJTOY-UZLBHIALSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893099139 1305706217 /nfs/dbraw/zinc/70/62/17/1305706217.db2.gz WKUNLTRBJDJTOY-UZLBHIALSA-N 2 2 338.499 3.440 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788592788 1305977709 /nfs/dbraw/zinc/97/77/09/1305977709.db2.gz MRBWSROXCGWUBU-IRXDYDNUSA-N 2 2 341.540 3.344 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788592788 1305977719 /nfs/dbraw/zinc/97/77/19/1305977719.db2.gz MRBWSROXCGWUBU-IRXDYDNUSA-N 2 2 341.540 3.344 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000893979542 1306161826 /nfs/dbraw/zinc/16/18/26/1306161826.db2.gz CNQTVHJIMJPXBA-UHFFFAOYSA-N 2 2 338.411 3.057 20 0 EGADLP Cc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1C ZINC000895501682 1309376718 /nfs/dbraw/zinc/37/67/18/1309376718.db2.gz JFQVCZFWHVYIHL-IBGZPJMESA-N 2 2 327.472 3.013 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)n(C)n1 ZINC000793519068 1309391220 /nfs/dbraw/zinc/39/12/20/1309391220.db2.gz AMQUMDNKOOVKEZ-QGZVFWFLSA-N 2 2 326.488 3.352 20 0 EGADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc(Cl)n1 ZINC000797596284 1310218391 /nfs/dbraw/zinc/21/83/91/1310218391.db2.gz UZBGBDYTJDPYBG-UHFFFAOYSA-N 2 2 345.874 3.165 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nn1C ZINC000800480710 1310766788 /nfs/dbraw/zinc/76/67/88/1310766788.db2.gz SECWEWWXQNHXOA-MRXNPFEDSA-N 2 2 341.503 3.114 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC34CCOCC4)cc2)CC1 ZINC000800484148 1310768196 /nfs/dbraw/zinc/76/81/96/1310768196.db2.gz URHZUWLUCQFJKX-IBGZPJMESA-N 2 2 329.488 3.200 20 0 EGADLP Cc1cc(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc(C)[nH+]1 ZINC000857290716 1328526865 /nfs/dbraw/zinc/52/68/65/1328526865.db2.gz KAEPAIFBQCIURP-FQEVSTJZSA-N 2 2 337.467 3.438 20 0 EGADLP Cc1cc(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cc(C)[nH+]1 ZINC000857290716 1328526868 /nfs/dbraw/zinc/52/68/68/1328526868.db2.gz KAEPAIFBQCIURP-FQEVSTJZSA-N 2 2 337.467 3.438 20 0 EGADLP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000900000673 1317216383 /nfs/dbraw/zinc/21/63/83/1317216383.db2.gz RINBJEKPTQKKRF-RHSMWYFYSA-N 2 2 344.459 3.005 20 0 EGADLP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000900000672 1317216423 /nfs/dbraw/zinc/21/64/23/1317216423.db2.gz RINBJEKPTQKKRF-PBHICJAKSA-N 2 2 344.459 3.005 20 0 EGADLP CNc1ccc(C)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000902075323 1317516785 /nfs/dbraw/zinc/51/67/85/1317516785.db2.gz INUHLWREGRDMQW-UHFFFAOYSA-N 2 2 339.483 3.159 20 0 EGADLP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000957773099 1317636624 /nfs/dbraw/zinc/63/66/24/1317636624.db2.gz YSOXCZITSPVWBT-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000957773099 1317636632 /nfs/dbraw/zinc/63/66/32/1317636632.db2.gz YSOXCZITSPVWBT-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1ccc(CC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]2CCCO2)cc1 ZINC000903899915 1317744727 /nfs/dbraw/zinc/74/47/27/1317744727.db2.gz YNRJJNBZHYOXHY-SJORKVTESA-N 2 2 326.431 3.001 20 0 EGADLP Cc1ccc(CC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]2CCCO2)cc1 ZINC000903899915 1317744731 /nfs/dbraw/zinc/74/47/31/1317744731.db2.gz YNRJJNBZHYOXHY-SJORKVTESA-N 2 2 326.431 3.001 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(F)c1 ZINC000903914411 1317748152 /nfs/dbraw/zinc/74/81/52/1317748152.db2.gz UQKWOBAVEBPILL-HXUWFJFHSA-N 2 2 344.405 3.184 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(F)c1 ZINC000903914411 1317748157 /nfs/dbraw/zinc/74/81/57/1317748157.db2.gz UQKWOBAVEBPILL-HXUWFJFHSA-N 2 2 344.405 3.184 20 0 EGADLP Cc1cccn2c(CN(CCc3ccccc3)CC[NH+](C)C)c[nH+]c12 ZINC000809730862 1317881553 /nfs/dbraw/zinc/88/15/53/1317881553.db2.gz HRWSAOLWIKCAMV-UHFFFAOYSA-N 2 2 336.483 3.249 20 0 EGADLP COC(=O)CC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000858353492 1328743250 /nfs/dbraw/zinc/74/32/50/1328743250.db2.gz AEIBZEYWOLTHCZ-UHFFFAOYSA-N 2 2 327.428 3.084 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960043139 1318326463 /nfs/dbraw/zinc/32/64/63/1318326463.db2.gz CEYCVIJGLIKDEX-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H]([NH2+]CCC4CCCC4)C3)ccn12 ZINC001022080561 1318791872 /nfs/dbraw/zinc/79/18/72/1318791872.db2.gz HEOAYCGPBJOIHQ-HDICACEKSA-N 2 2 340.471 3.073 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000815130189 1318904300 /nfs/dbraw/zinc/90/43/00/1318904300.db2.gz WGDPBGRUGHHYCZ-HWWDLCQESA-N 2 2 346.906 3.320 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000815130189 1318904310 /nfs/dbraw/zinc/90/43/10/1318904310.db2.gz WGDPBGRUGHHYCZ-HWWDLCQESA-N 2 2 346.906 3.320 20 0 EGADLP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001022423774 1318935582 /nfs/dbraw/zinc/93/55/82/1318935582.db2.gz IFICDJOEZCYIPM-FGTMMUONSA-N 2 2 348.450 3.336 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915980 1319062201 /nfs/dbraw/zinc/06/22/01/1319062201.db2.gz ZKIPPLNFWBTDTC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915980 1319062209 /nfs/dbraw/zinc/06/22/09/1319062209.db2.gz ZKIPPLNFWBTDTC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915980 1319062219 /nfs/dbraw/zinc/06/22/19/1319062219.db2.gz ZKIPPLNFWBTDTC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915980 1319062228 /nfs/dbraw/zinc/06/22/28/1319062228.db2.gz ZKIPPLNFWBTDTC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817939815 1319469059 /nfs/dbraw/zinc/46/90/59/1319469059.db2.gz CPTMNOJKKXNDCX-LPHOPBHVSA-N 3 2 331.504 3.084 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Cl)c1 ZINC000918197952 1319932498 /nfs/dbraw/zinc/93/24/98/1319932498.db2.gz PWSDDTJMXGTGOJ-SFHVURJKSA-N 2 2 345.805 3.488 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000918198190 1319932714 /nfs/dbraw/zinc/93/27/14/1319932714.db2.gz TYOHSWBYIVNVOF-GOSISDBHSA-N 2 2 327.815 3.349 20 0 EGADLP C[N@H+](Cc1ccc2nonc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821391130 1320010260 /nfs/dbraw/zinc/01/02/60/1320010260.db2.gz HYLRWXNDIGJGFH-UHFFFAOYSA-N 2 2 336.439 3.319 20 0 EGADLP C[N@@H+](Cc1ccc2nonc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821391130 1320010263 /nfs/dbraw/zinc/01/02/63/1320010263.db2.gz HYLRWXNDIGJGFH-UHFFFAOYSA-N 2 2 336.439 3.319 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000839005788 1320849023 /nfs/dbraw/zinc/84/90/23/1320849023.db2.gz AIAFFCIMONUNBG-NRFANRHFSA-N 2 2 335.451 3.198 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000839005788 1320849028 /nfs/dbraw/zinc/84/90/28/1320849028.db2.gz AIAFFCIMONUNBG-NRFANRHFSA-N 2 2 335.451 3.198 20 0 EGADLP Cc1cc(NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c(C)c[nH+]1 ZINC000930626926 1328918754 /nfs/dbraw/zinc/91/87/54/1328918754.db2.gz MSZKELSDSJRRHO-UHFFFAOYSA-N 2 2 330.476 3.039 20 0 EGADLP Cc1cccn2c(CNc3ccc(OCC[NH+](C)C)c(F)c3)c[nH+]c12 ZINC000839189349 1320890272 /nfs/dbraw/zinc/89/02/72/1320890272.db2.gz RECLOAXLIRSSIP-UHFFFAOYSA-N 2 2 342.418 3.334 20 0 EGADLP CCCC[C@H](C)[N@H+](CCCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000840091173 1321026512 /nfs/dbraw/zinc/02/65/12/1321026512.db2.gz JUBKYXOSYOLGRO-IRXDYDNUSA-N 2 2 334.508 3.374 20 0 EGADLP CCCC[C@H](C)[N@@H+](CCCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000840091173 1321026515 /nfs/dbraw/zinc/02/65/15/1321026515.db2.gz JUBKYXOSYOLGRO-IRXDYDNUSA-N 2 2 334.508 3.374 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747938 1321139876 /nfs/dbraw/zinc/13/98/76/1321139876.db2.gz BWHDWFZXUSVPPM-DYESRHJHSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747938 1321139883 /nfs/dbraw/zinc/13/98/83/1321139883.db2.gz BWHDWFZXUSVPPM-DYESRHJHSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC[NH2+]1 ZINC000841022825 1321202790 /nfs/dbraw/zinc/20/27/90/1321202790.db2.gz XZSVERJVBQRLHH-HQRMLTQVSA-N 2 2 344.499 3.061 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000842476759 1321394378 /nfs/dbraw/zinc/39/43/78/1321394378.db2.gz VAFVYNMOFZTNOO-QGZVFWFLSA-N 2 2 346.906 3.371 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)cc1 ZINC000842733271 1321425641 /nfs/dbraw/zinc/42/56/41/1321425641.db2.gz XXVOGJAQGDUTJE-UHFFFAOYSA-N 2 2 339.483 3.004 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000842831241 1321438268 /nfs/dbraw/zinc/43/82/68/1321438268.db2.gz RMRGFGIFLCCREV-SFHVURJKSA-N 2 2 341.455 3.209 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](COC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000842831241 1321438272 /nfs/dbraw/zinc/43/82/72/1321438272.db2.gz RMRGFGIFLCCREV-SFHVURJKSA-N 2 2 341.455 3.209 20 0 EGADLP C[C@H](CC(=O)O[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845599932 1321722233 /nfs/dbraw/zinc/72/22/33/1321722233.db2.gz BIMNGMYZOHVFRQ-YQVWRLOYSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@H](CC(=O)O[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845599932 1321722235 /nfs/dbraw/zinc/72/22/35/1321722235.db2.gz BIMNGMYZOHVFRQ-YQVWRLOYSA-N 2 2 341.455 3.288 20 0 EGADLP C[N@@H+]1CCCc2cc(NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC000848542933 1321972749 /nfs/dbraw/zinc/97/27/49/1321972749.db2.gz LCFYHBCPKFNYFH-LJQANCHMSA-N 2 2 329.488 3.124 20 0 EGADLP C[N@H+]1CCCc2cc(NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC000848542933 1321972755 /nfs/dbraw/zinc/97/27/55/1321972755.db2.gz LCFYHBCPKFNYFH-LJQANCHMSA-N 2 2 329.488 3.124 20 0 EGADLP C1C[C@H]2SCCS[C@@H]2[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539881 1322262648 /nfs/dbraw/zinc/26/26/48/1322262648.db2.gz VHKVUYDTDPYSDC-RKTXRCNFSA-N 2 2 326.575 3.363 20 0 EGADLP C1C[C@H]2SCCS[C@@H]2[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539881 1322262651 /nfs/dbraw/zinc/26/26/51/1322262651.db2.gz VHKVUYDTDPYSDC-RKTXRCNFSA-N 2 2 326.575 3.363 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cn1 ZINC000921564280 1322354017 /nfs/dbraw/zinc/35/40/17/1322354017.db2.gz PNFWXFRVBGQADU-AWEZNQCLSA-N 2 2 334.423 3.189 20 0 EGADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CC[N@@H+]1C ZINC000921656987 1322371691 /nfs/dbraw/zinc/37/16/91/1322371691.db2.gz VINGTPVENIRBGM-DLBZAZTESA-N 2 2 326.444 3.362 20 0 EGADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CC[N@H+]1C ZINC000921656987 1322371695 /nfs/dbraw/zinc/37/16/95/1322371695.db2.gz VINGTPVENIRBGM-DLBZAZTESA-N 2 2 326.444 3.362 20 0 EGADLP C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cccc2c1CC[NH2+]C2 ZINC000923552855 1322776031 /nfs/dbraw/zinc/77/60/31/1322776031.db2.gz DVPGEARWXNTDIP-UHFFFAOYSA-N 2 2 340.452 3.076 20 0 EGADLP C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cccc2c1CC[NH2+]C2 ZINC000923552855 1322776034 /nfs/dbraw/zinc/77/60/34/1322776034.db2.gz DVPGEARWXNTDIP-UHFFFAOYSA-N 2 2 340.452 3.076 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000924602073 1323071197 /nfs/dbraw/zinc/07/11/97/1323071197.db2.gz JOAGWLQUZBCWSV-INIZCTEOSA-N 2 2 325.456 3.189 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000924602073 1323071203 /nfs/dbraw/zinc/07/12/03/1323071203.db2.gz JOAGWLQUZBCWSV-INIZCTEOSA-N 2 2 325.456 3.189 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnn(C)n1 ZINC000924686814 1323112888 /nfs/dbraw/zinc/11/28/88/1323112888.db2.gz VXFXRYKQVXZMII-ZACQAIPSSA-N 2 2 341.503 3.144 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924690306 1323113951 /nfs/dbraw/zinc/11/39/51/1323113951.db2.gz YSMIAXDRJMQWGW-OALUTQOASA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924690306 1323113955 /nfs/dbraw/zinc/11/39/55/1323113955.db2.gz YSMIAXDRJMQWGW-OALUTQOASA-N 2 2 328.504 3.178 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000924731125 1323137079 /nfs/dbraw/zinc/13/70/79/1323137079.db2.gz HYGYTKMTHPWCKZ-HXUWFJFHSA-N 2 2 336.439 3.446 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000924771339 1323153651 /nfs/dbraw/zinc/15/36/51/1323153651.db2.gz WWQNFZSBQDNNDY-PKOBYXMFSA-N 2 2 335.455 3.107 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001025103523 1323896735 /nfs/dbraw/zinc/89/67/35/1323896735.db2.gz XGFRZEKDBSXIIC-DOTOQJQBSA-N 2 2 346.500 3.067 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000931752764 1329177968 /nfs/dbraw/zinc/17/79/68/1329177968.db2.gz PEXSRXPAPQIYQW-LSDHHAIUSA-N 2 2 334.426 3.437 20 0 EGADLP O=C(NC1CCC([NH2+]CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001026509654 1324855899 /nfs/dbraw/zinc/85/58/99/1324855899.db2.gz AWHCCPULPJCVNX-OPQOLIRYSA-N 2 2 344.503 3.111 20 0 EGADLP O=C(NC1CCC([NH2+]CCC2CCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001026509654 1324855907 /nfs/dbraw/zinc/85/59/07/1324855907.db2.gz AWHCCPULPJCVNX-OPQOLIRYSA-N 2 2 344.503 3.111 20 0 EGADLP CC1(C)CCC(C[NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001026583595 1324911830 /nfs/dbraw/zinc/91/18/30/1324911830.db2.gz AAIIITUXDQSYQF-UHFFFAOYSA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299844 1325083226 /nfs/dbraw/zinc/08/32/26/1325083226.db2.gz WZYUIZSBRSRJMV-ROUUACIJSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299844 1325083230 /nfs/dbraw/zinc/08/32/30/1325083230.db2.gz WZYUIZSBRSRJMV-ROUUACIJSA-N 2 2 344.503 3.012 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cc1 ZINC000925495295 1325176560 /nfs/dbraw/zinc/17/65/60/1325176560.db2.gz TWYCLIJLRYKVEG-VXKWHMMOSA-N 3 2 341.543 3.409 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000925546376 1325201081 /nfs/dbraw/zinc/20/10/81/1325201081.db2.gz KOGMWWPSXATBGG-KUHUBIRLSA-N 2 2 341.430 3.308 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444217 1325251372 /nfs/dbraw/zinc/25/13/72/1325251372.db2.gz VRLLYJUIZIDMCA-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444217 1325251379 /nfs/dbraw/zinc/25/13/79/1325251379.db2.gz VRLLYJUIZIDMCA-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[NH2+]2)cc1 ZINC000925761875 1325289891 /nfs/dbraw/zinc/28/98/91/1325289891.db2.gz DSSSLBFBIUGDCZ-YLJYHZDGSA-N 2 2 345.450 3.122 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]CC2CCC2)C3)c(C)[nH+]1 ZINC000964453491 1325531671 /nfs/dbraw/zinc/53/16/71/1325531671.db2.gz BMYGQGXAPWRYHD-UHFFFAOYSA-N 2 2 341.499 3.438 20 0 EGADLP C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc(C[NH+](C)C)c1 ZINC000926585054 1327626524 /nfs/dbraw/zinc/62/65/24/1327626524.db2.gz HUJIEOFFVZFVDA-LBPRGKRZSA-N 2 2 338.377 3.408 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)n(C)n1 ZINC000926744642 1327695529 /nfs/dbraw/zinc/69/55/29/1327695529.db2.gz JFTHVVRTHUFWMA-CUWPLCDZSA-N 2 2 344.547 3.436 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)n(C)n1 ZINC000926744642 1327695536 /nfs/dbraw/zinc/69/55/36/1327695536.db2.gz JFTHVVRTHUFWMA-CUWPLCDZSA-N 2 2 344.547 3.436 20 0 EGADLP COc1cccc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)oc21 ZINC000863646034 1329570246 /nfs/dbraw/zinc/57/02/46/1329570246.db2.gz PJNCSGHDLMLUSW-JSGCOSHPSA-N 2 2 342.361 3.401 20 0 EGADLP COc1cccc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)oc21 ZINC000863646034 1329570248 /nfs/dbraw/zinc/57/02/48/1329570248.db2.gz PJNCSGHDLMLUSW-JSGCOSHPSA-N 2 2 342.361 3.401 20 0 EGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000865483340 1329703761 /nfs/dbraw/zinc/70/37/61/1329703761.db2.gz IGGLMFCEARFLGG-KGLIPLIRSA-N 2 2 326.868 3.320 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865505976 1329706676 /nfs/dbraw/zinc/70/66/76/1329706676.db2.gz NWBYZCJASFYHFZ-AWEZNQCLSA-N 2 2 340.309 3.302 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865505976 1329706678 /nfs/dbraw/zinc/70/66/78/1329706678.db2.gz NWBYZCJASFYHFZ-AWEZNQCLSA-N 2 2 340.309 3.302 20 0 EGADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@H]21 ZINC000865616428 1329720375 /nfs/dbraw/zinc/72/03/75/1329720375.db2.gz HMJQHPZHVRWHQS-QZTJIDSGSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CCC[C@@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@H]21 ZINC000865616428 1329720377 /nfs/dbraw/zinc/72/03/77/1329720377.db2.gz HMJQHPZHVRWHQS-QZTJIDSGSA-N 2 2 337.471 3.009 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932254713 1329800876 /nfs/dbraw/zinc/80/08/76/1329800876.db2.gz XELUXEKFYZHFDV-MRXNPFEDSA-N 2 2 349.276 3.347 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932254713 1329800878 /nfs/dbraw/zinc/80/08/78/1329800878.db2.gz XELUXEKFYZHFDV-MRXNPFEDSA-N 2 2 349.276 3.347 20 0 EGADLP CSCC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000932586670 1329825091 /nfs/dbraw/zinc/82/50/91/1329825091.db2.gz PFNQOFCHEOEGBE-UHFFFAOYSA-N 2 2 334.529 3.094 20 0 EGADLP CC1CC[NH+](C2CCC(NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CC1 ZINC000935051390 1330025506 /nfs/dbraw/zinc/02/55/06/1330025506.db2.gz NQPFSKQQDZHALV-UHFFFAOYSA-N 2 2 340.471 3.336 20 0 EGADLP CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000867628288 1330211753 /nfs/dbraw/zinc/21/17/53/1330211753.db2.gz VZQSWICAECCICG-UHFFFAOYSA-N 2 2 347.484 3.139 20 0 EGADLP CC1(C)C[N@H+](C/C=C\Cl)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838958 1331213864 /nfs/dbraw/zinc/21/38/64/1331213864.db2.gz KFMKOSVXMAZSEK-UYZDIKGJSA-N 2 2 346.862 3.146 20 0 EGADLP CC1(C)C[N@@H+](C/C=C\Cl)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838958 1331213866 /nfs/dbraw/zinc/21/38/66/1331213866.db2.gz KFMKOSVXMAZSEK-UYZDIKGJSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175829 1332113895 /nfs/dbraw/zinc/11/38/95/1332113895.db2.gz IQTGVJWMLOZIAK-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175829 1332113899 /nfs/dbraw/zinc/11/38/99/1332113899.db2.gz IQTGVJWMLOZIAK-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CC4CCC4)[C@H](C)C3)ccn12 ZINC000947315660 1333086092 /nfs/dbraw/zinc/08/60/92/1333086092.db2.gz XHGGCQXMVOHULH-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CC4CCC4)[C@H](C)C3)ccn12 ZINC000947315660 1333086095 /nfs/dbraw/zinc/08/60/95/1333086095.db2.gz XHGGCQXMVOHULH-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450435 1333132755 /nfs/dbraw/zinc/13/27/55/1333132755.db2.gz ULQQGXHWLMTDQV-GDBMZVCRSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450435 1333132756 /nfs/dbraw/zinc/13/27/56/1333132756.db2.gz ULQQGXHWLMTDQV-GDBMZVCRSA-N 2 2 326.444 3.112 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540563 1333164114 /nfs/dbraw/zinc/16/41/14/1333164114.db2.gz VMSWZBWPDMMBDG-WBVHZDCISA-N 2 2 342.487 3.353 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540563 1333164118 /nfs/dbraw/zinc/16/41/18/1333164118.db2.gz VMSWZBWPDMMBDG-WBVHZDCISA-N 2 2 342.487 3.353 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554190 1333573507 /nfs/dbraw/zinc/57/35/07/1333573507.db2.gz RVFRLXSLRXDAIH-KRWDZBQOSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554190 1333573513 /nfs/dbraw/zinc/57/35/13/1333573513.db2.gz RVFRLXSLRXDAIH-KRWDZBQOSA-N 2 2 340.471 3.456 20 0 EGADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950047642 1334001594 /nfs/dbraw/zinc/00/15/94/1334001594.db2.gz ALJITBGGIZIVFK-YLJYHZDGSA-N 2 2 343.515 3.153 20 0 EGADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950047642 1334001596 /nfs/dbraw/zinc/00/15/96/1334001596.db2.gz ALJITBGGIZIVFK-YLJYHZDGSA-N 2 2 343.515 3.153 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000950635675 1334100187 /nfs/dbraw/zinc/10/01/87/1334100187.db2.gz SWBXGADNEJXLKL-PXNSSMCTSA-N 2 2 343.515 3.073 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000950635675 1334100191 /nfs/dbraw/zinc/10/01/91/1334100191.db2.gz SWBXGADNEJXLKL-PXNSSMCTSA-N 2 2 343.515 3.073 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124398 1370658048 /nfs/dbraw/zinc/65/80/48/1370658048.db2.gz PZUUBJVXMSNFKC-CYBMUJFWSA-N 2 2 327.266 3.079 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920152 1336088784 /nfs/dbraw/zinc/08/87/84/1336088784.db2.gz PJHRBYXEEGDLCS-JKSUJKDBSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@H](F)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920152 1336088786 /nfs/dbraw/zinc/08/87/86/1336088786.db2.gz PJHRBYXEEGDLCS-JKSUJKDBSA-N 2 2 346.450 3.285 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014943370 1337962547 /nfs/dbraw/zinc/96/25/47/1337962547.db2.gz YJFMTYVYZKDHAG-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014943370 1337962550 /nfs/dbraw/zinc/96/25/50/1337962550.db2.gz YJFMTYVYZKDHAG-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@H+](CCC(C)(C)C)C3)ccn12 ZINC001028539286 1340694892 /nfs/dbraw/zinc/69/48/92/1340694892.db2.gz SDEAZGRQMHGWKZ-INIZCTEOSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@@H+](CCC(C)(C)C)C3)ccn12 ZINC001028539286 1340694894 /nfs/dbraw/zinc/69/48/94/1340694894.db2.gz SDEAZGRQMHGWKZ-INIZCTEOSA-N 2 2 342.487 3.131 20 0 EGADLP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001029120842 1340934995 /nfs/dbraw/zinc/93/49/95/1340934995.db2.gz BYBYDSIJAYWSHF-INIZCTEOSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H](CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001029152863 1340944072 /nfs/dbraw/zinc/94/40/72/1340944072.db2.gz KZHRQCMDBIGISF-IAGOWNOFSA-N 2 2 346.519 3.241 20 0 EGADLP C[N@H+](C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)CC1CCCCC1 ZINC001029888493 1341105436 /nfs/dbraw/zinc/10/54/36/1341105436.db2.gz ZHMPMBRYDIJKJZ-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP C[N@@H+](C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)CC1CCCCC1 ZINC001029888493 1341105437 /nfs/dbraw/zinc/10/54/37/1341105437.db2.gz ZHMPMBRYDIJKJZ-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)c1 ZINC001030312602 1341177913 /nfs/dbraw/zinc/17/79/13/1341177913.db2.gz CLMHGKXLANNCHK-KRWDZBQOSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001030586766 1341199328 /nfs/dbraw/zinc/19/93/28/1341199328.db2.gz VAQYYKOAXKQCPE-HNNXBMFYSA-N 2 2 348.450 3.126 20 0 EGADLP C[NH+](C)Cc1ccoc1C(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001030858591 1341236003 /nfs/dbraw/zinc/23/60/03/1341236003.db2.gz CWNDWGQLSGOTCR-UHFFFAOYSA-N 2 2 347.503 3.116 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC001030959164 1341256362 /nfs/dbraw/zinc/25/63/62/1341256362.db2.gz DSEONFIITVCJQD-DLBZAZTESA-N 2 2 343.515 3.013 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001030959164 1341256365 /nfs/dbraw/zinc/25/63/65/1341256365.db2.gz DSEONFIITVCJQD-DLBZAZTESA-N 2 2 343.515 3.013 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033163374 1341742279 /nfs/dbraw/zinc/74/22/79/1341742279.db2.gz JZQANUCNUMJOHM-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033163374 1341742280 /nfs/dbraw/zinc/74/22/80/1341742280.db2.gz JZQANUCNUMJOHM-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033163374 1341742282 /nfs/dbraw/zinc/74/22/82/1341742282.db2.gz JZQANUCNUMJOHM-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033163374 1341742284 /nfs/dbraw/zinc/74/22/84/1341742284.db2.gz JZQANUCNUMJOHM-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033192204 1341748701 /nfs/dbraw/zinc/74/87/01/1341748701.db2.gz OSVLDPZUEMOEEV-INIZCTEOSA-N 2 2 340.471 3.145 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033192204 1341748702 /nfs/dbraw/zinc/74/87/02/1341748702.db2.gz OSVLDPZUEMOEEV-INIZCTEOSA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833511 1342034264 /nfs/dbraw/zinc/03/42/64/1342034264.db2.gz PAOKRMJCCZXUSK-YJBOKZPZSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833511 1342034266 /nfs/dbraw/zinc/03/42/66/1342034266.db2.gz PAOKRMJCCZXUSK-YJBOKZPZSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873143 1342052061 /nfs/dbraw/zinc/05/20/61/1342052061.db2.gz MZVNCPSVVQDEFQ-ZBFHGGJFSA-N 2 2 328.460 3.145 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873143 1342052064 /nfs/dbraw/zinc/05/20/64/1342052064.db2.gz MZVNCPSVVQDEFQ-ZBFHGGJFSA-N 2 2 328.460 3.145 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001034745014 1342732700 /nfs/dbraw/zinc/73/27/00/1342732700.db2.gz CXDMOAXJAGFIAE-XMTFNYHQSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001034761666 1342742386 /nfs/dbraw/zinc/74/23/86/1342742386.db2.gz REMURJZWJNGFRJ-MHORFTMASA-N 2 2 346.519 3.186 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034763540 1342743925 /nfs/dbraw/zinc/74/39/25/1342743925.db2.gz KWHWVTMOGAZDPN-ULQDDVLXSA-N 2 2 340.471 3.039 20 0 EGADLP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)c1 ZINC001034990439 1342866943 /nfs/dbraw/zinc/86/69/43/1342866943.db2.gz FTDMVATVBDGHNH-GOSISDBHSA-N 2 2 348.450 3.037 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231038 1343052627 /nfs/dbraw/zinc/05/26/27/1343052627.db2.gz HCSHYWPPXVFBIQ-MSOLQXFVSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231038 1343052631 /nfs/dbraw/zinc/05/26/31/1343052631.db2.gz HCSHYWPPXVFBIQ-MSOLQXFVSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035807185 1343207996 /nfs/dbraw/zinc/20/79/96/1343207996.db2.gz HPEHAKMADYFKQD-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001036128959 1343320025 /nfs/dbraw/zinc/32/00/25/1343320025.db2.gz ZMOHCZUCZGUARV-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001036566840 1343557467 /nfs/dbraw/zinc/55/74/67/1343557467.db2.gz YIAILEPLYRLXFB-LPHOPBHVSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869411 1343806325 /nfs/dbraw/zinc/80/63/25/1343806325.db2.gz CWHNFFJXOQIMAV-CVEARBPZSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869411 1343806326 /nfs/dbraw/zinc/80/63/26/1343806326.db2.gz CWHNFFJXOQIMAV-CVEARBPZSA-N 2 2 346.519 3.046 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415699 1344419279 /nfs/dbraw/zinc/41/92/79/1344419279.db2.gz ISERDYOLAOGIHR-MAUKXSAKSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415699 1344419281 /nfs/dbraw/zinc/41/92/81/1344419281.db2.gz ISERDYOLAOGIHR-MAUKXSAKSA-N 2 2 348.450 3.437 20 0 EGADLP CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039145659 1344827354 /nfs/dbraw/zinc/82/73/54/1344827354.db2.gz DYLMURSGPSIEBS-SFHVURJKSA-N 2 2 329.488 3.201 20 0 EGADLP CC[N@H+]1CC[C@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039145659 1344827357 /nfs/dbraw/zinc/82/73/57/1344827357.db2.gz DYLMURSGPSIEBS-SFHVURJKSA-N 2 2 329.488 3.201 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211041 1344926018 /nfs/dbraw/zinc/92/60/18/1344926018.db2.gz RLQOHWMCVJEZME-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211041 1344926022 /nfs/dbraw/zinc/92/60/22/1344926022.db2.gz RLQOHWMCVJEZME-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211041 1344926024 /nfs/dbraw/zinc/92/60/24/1344926024.db2.gz RLQOHWMCVJEZME-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211041 1344926028 /nfs/dbraw/zinc/92/60/28/1344926028.db2.gz RLQOHWMCVJEZME-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214973 1344930718 /nfs/dbraw/zinc/93/07/18/1344930718.db2.gz ICRZICPOXPFJCJ-SJORKVTESA-N 2 2 340.471 3.059 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214973 1344930721 /nfs/dbraw/zinc/93/07/21/1344930721.db2.gz ICRZICPOXPFJCJ-SJORKVTESA-N 2 2 340.471 3.059 20 0 EGADLP CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217608 1344934856 /nfs/dbraw/zinc/93/48/56/1344934856.db2.gz VFATYBDSIRNHAJ-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217608 1344934858 /nfs/dbraw/zinc/93/48/58/1344934858.db2.gz VFATYBDSIRNHAJ-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236527 1344957941 /nfs/dbraw/zinc/95/79/41/1344957941.db2.gz DEWWWOYUGWFRNP-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236527 1344957943 /nfs/dbraw/zinc/95/79/43/1344957943.db2.gz DEWWWOYUGWFRNP-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCCC2CCCC2)C1 ZINC001043091237 1346139449 /nfs/dbraw/zinc/13/94/49/1346139449.db2.gz HYCYMWVASFOQAA-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001044843018 1346442752 /nfs/dbraw/zinc/44/27/52/1346442752.db2.gz SXQRHGIPFZEQRP-CRAIPNDOSA-N 2 2 344.503 3.120 20 0 EGADLP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948019 1346783390 /nfs/dbraw/zinc/78/33/90/1346783390.db2.gz SLFFYUWRBGOQGB-FQEVSTJZSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948019 1346783392 /nfs/dbraw/zinc/78/33/92/1346783392.db2.gz SLFFYUWRBGOQGB-FQEVSTJZSA-N 2 2 340.471 3.290 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415798 1346967350 /nfs/dbraw/zinc/96/73/50/1346967350.db2.gz SEDYNONOEOZIKB-IBGZPJMESA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415798 1346967352 /nfs/dbraw/zinc/96/73/52/1346967352.db2.gz SEDYNONOEOZIKB-IBGZPJMESA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CCCC2CCC2)C1 ZINC001046416048 1346967455 /nfs/dbraw/zinc/96/74/55/1346967455.db2.gz VKNMBPZUFOUEHH-HXUWFJFHSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CCCC2CCC2)C1 ZINC001046416048 1346967458 /nfs/dbraw/zinc/96/74/58/1346967458.db2.gz VKNMBPZUFOUEHH-HXUWFJFHSA-N 2 2 340.471 3.337 20 0 EGADLP CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538105 1347583592 /nfs/dbraw/zinc/58/35/92/1347583592.db2.gz ITSREJQZGJFZGT-ACHSLPGTSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538105 1347583594 /nfs/dbraw/zinc/58/35/94/1347583594.db2.gz ITSREJQZGJFZGT-ACHSLPGTSA-N 2 2 340.471 3.192 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234015 1349225876 /nfs/dbraw/zinc/22/58/76/1349225876.db2.gz VIYPCDRUCQJYBN-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001054234015 1349225879 /nfs/dbraw/zinc/22/58/79/1349225879.db2.gz VIYPCDRUCQJYBN-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)c1 ZINC001054797417 1349464976 /nfs/dbraw/zinc/46/49/76/1349464976.db2.gz GNMVYZHJFASBLZ-QRWLVFNGSA-N 2 2 348.450 3.122 20 0 EGADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054951350 1349525967 /nfs/dbraw/zinc/52/59/67/1349525967.db2.gz LYAWWVTYCKYQAT-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[N@H+](C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC001074073391 1356069026 /nfs/dbraw/zinc/06/90/26/1356069026.db2.gz VYIFCXNPVOWZHY-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC001074073391 1356069032 /nfs/dbraw/zinc/06/90/32/1356069032.db2.gz VYIFCXNPVOWZHY-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C)c1ccccc1 ZINC001082595139 1358065255 /nfs/dbraw/zinc/06/52/55/1358065255.db2.gz XTZTZZTUMVKKKS-QEEYODRMSA-N 2 2 348.450 3.374 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001183495820 1387313259 /nfs/dbraw/zinc/31/32/59/1387313259.db2.gz FPUGLUVMGPVCDT-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001183629953 1387325594 /nfs/dbraw/zinc/32/55/94/1387325594.db2.gz VFDICTCQQNACST-WEBJUUICSA-N 2 2 346.434 3.080 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001085374120 1358481287 /nfs/dbraw/zinc/48/12/87/1358481287.db2.gz ZMICSXXDHCIIKN-RCCFBDPRSA-N 2 2 340.471 3.121 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746430 1358728038 /nfs/dbraw/zinc/72/80/38/1358728038.db2.gz HEXGYQWMCMPHMT-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746430 1358728039 /nfs/dbraw/zinc/72/80/39/1358728039.db2.gz HEXGYQWMCMPHMT-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086733011 1359193060 /nfs/dbraw/zinc/19/30/60/1359193060.db2.gz OOGUCNBSLLLSNR-FUHWJXTLSA-N 2 2 348.450 3.251 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087292878 1359373237 /nfs/dbraw/zinc/37/32/37/1359373237.db2.gz TXPDKWNPMNOFPS-OLMNPRSZSA-N 2 2 340.471 3.192 20 0 EGADLP CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087292878 1359373242 /nfs/dbraw/zinc/37/32/42/1359373242.db2.gz TXPDKWNPMNOFPS-OLMNPRSZSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088408259 1359879802 /nfs/dbraw/zinc/87/98/02/1359879802.db2.gz QUDACIDJVAPGHV-GOSISDBHSA-N 2 2 340.471 3.255 20 0 EGADLP CC(C)(C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001088414156 1359884741 /nfs/dbraw/zinc/88/47/41/1359884741.db2.gz YLAXNWLMOBXMSM-QGZVFWFLSA-N 2 2 346.519 3.238 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001089233949 1360273085 /nfs/dbraw/zinc/27/30/85/1360273085.db2.gz REWSZPIOLYCHMQ-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001089233949 1360273089 /nfs/dbraw/zinc/27/30/89/1360273089.db2.gz REWSZPIOLYCHMQ-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001089246775 1360280408 /nfs/dbraw/zinc/28/04/08/1360280408.db2.gz RMONYKXVVAERAR-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001089246775 1360280411 /nfs/dbraw/zinc/28/04/11/1360280411.db2.gz RMONYKXVVAERAR-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP CC1(C)C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CCCF)C1 ZINC001089420777 1360414891 /nfs/dbraw/zinc/41/48/91/1360414891.db2.gz OWYWTZQMLOMNDH-HNNXBMFYSA-N 2 2 346.450 3.143 20 0 EGADLP CC1(C)C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CCCF)C1 ZINC001089420777 1360414893 /nfs/dbraw/zinc/41/48/93/1360414893.db2.gz OWYWTZQMLOMNDH-HNNXBMFYSA-N 2 2 346.450 3.143 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CC2CCCCC2)C1 ZINC001089530128 1360492489 /nfs/dbraw/zinc/49/24/89/1360492489.db2.gz ZSDGGZIUIXJVHM-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089530128 1360492490 /nfs/dbraw/zinc/49/24/90/1360492490.db2.gz ZSDGGZIUIXJVHM-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693818 1360599023 /nfs/dbraw/zinc/59/90/23/1360599023.db2.gz PGTZWFOPSOWFSI-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693818 1360599025 /nfs/dbraw/zinc/59/90/25/1360599025.db2.gz PGTZWFOPSOWFSI-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660745 1387505562 /nfs/dbraw/zinc/50/55/62/1387505562.db2.gz VYYQQTXOVJVEAE-DDKKJVIOSA-N 2 2 338.455 3.033 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1 ZINC001324212251 1387559300 /nfs/dbraw/zinc/55/93/00/1387559300.db2.gz BSNJWJBDRUWQPF-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1 ZINC001324212251 1387559306 /nfs/dbraw/zinc/55/93/06/1387559306.db2.gz BSNJWJBDRUWQPF-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP CC(C)[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098832536 1363486317 /nfs/dbraw/zinc/48/63/17/1363486317.db2.gz HPEUXFLYXKIWSI-MJGOQNOKSA-N 2 2 346.519 3.069 20 0 EGADLP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049307 1363594259 /nfs/dbraw/zinc/59/42/59/1363594259.db2.gz REYJLXOICXMJDY-OSJSJHBBSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049307 1363594262 /nfs/dbraw/zinc/59/42/62/1363594262.db2.gz REYJLXOICXMJDY-OSJSJHBBSA-N 2 2 346.519 3.305 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264583 1363722665 /nfs/dbraw/zinc/72/26/65/1363722665.db2.gz VOSPCVIIYUQJOC-WMZOPIPTSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099264583 1363722668 /nfs/dbraw/zinc/72/26/68/1363722668.db2.gz VOSPCVIIYUQJOC-WMZOPIPTSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264583 1363722671 /nfs/dbraw/zinc/72/26/71/1363722671.db2.gz VOSPCVIIYUQJOC-WMZOPIPTSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099264583 1363722675 /nfs/dbraw/zinc/72/26/75/1363722675.db2.gz VOSPCVIIYUQJOC-WMZOPIPTSA-N 2 2 346.519 3.161 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099323909 1363750351 /nfs/dbraw/zinc/75/03/51/1363750351.db2.gz CPFBYIWCZGLJRO-SFHVURJKSA-N 2 2 348.535 3.150 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099323909 1363750353 /nfs/dbraw/zinc/75/03/53/1363750353.db2.gz CPFBYIWCZGLJRO-SFHVURJKSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001099465608 1363808121 /nfs/dbraw/zinc/80/81/21/1363808121.db2.gz JPZUCNOFSPSVOZ-RXVVDRJESA-N 2 2 341.499 3.249 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100715581 1364233031 /nfs/dbraw/zinc/23/30/31/1364233031.db2.gz RUKMJGAZPREUBN-DXURWJPJSA-N 2 2 332.492 3.065 20 0 EGADLP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001101574039 1364628553 /nfs/dbraw/zinc/62/85/53/1364628553.db2.gz OODCXGNMCPROCI-INIZCTEOSA-N 2 2 346.519 3.092 20 0 EGADLP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584132 1364635384 /nfs/dbraw/zinc/63/53/84/1364635384.db2.gz DLEGORYQCPNPAK-AATRIKPKSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352172 1365982850 /nfs/dbraw/zinc/98/28/50/1365982850.db2.gz GTCBYVREPDSGQV-HZPDHXFCSA-N 2 2 342.487 3.297 20 0 EGADLP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468230 1366040238 /nfs/dbraw/zinc/04/02/38/1366040238.db2.gz PUYKHDPBHCEGNO-ASIGSXEYSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777848 1366168321 /nfs/dbraw/zinc/16/83/21/1366168321.db2.gz WRTQHVFROYPYIG-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777848 1366168324 /nfs/dbraw/zinc/16/83/24/1366168324.db2.gz WRTQHVFROYPYIG-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107075657 1366870989 /nfs/dbraw/zinc/87/09/89/1366870989.db2.gz AMWAWYYUHXIESX-ASIGSXEYSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561354 1367044547 /nfs/dbraw/zinc/04/45/47/1367044547.db2.gz IPOCBCLTCVEMCR-NLWGTHIKSA-N 2 2 344.503 3.161 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561354 1367044550 /nfs/dbraw/zinc/04/45/50/1367044550.db2.gz IPOCBCLTCVEMCR-NLWGTHIKSA-N 2 2 344.503 3.161 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772621 1367314453 /nfs/dbraw/zinc/31/44/53/1367314453.db2.gz PVBUITUIKOAOQN-YAVRGCAZSA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772621 1367314458 /nfs/dbraw/zinc/31/44/58/1367314458.db2.gz PVBUITUIKOAOQN-YAVRGCAZSA-N 2 2 344.503 3.302 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756208 1367343243 /nfs/dbraw/zinc/34/32/43/1367343243.db2.gz TWMQXPISHJONBI-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756208 1367343249 /nfs/dbraw/zinc/34/32/49/1367343249.db2.gz TWMQXPISHJONBI-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756208 1367343255 /nfs/dbraw/zinc/34/32/55/1367343255.db2.gz TWMQXPISHJONBI-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756208 1367343263 /nfs/dbraw/zinc/34/32/63/1367343263.db2.gz TWMQXPISHJONBI-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001191444581 1367504686 /nfs/dbraw/zinc/50/46/86/1367504686.db2.gz OLBJDUXJVNOIKK-QUCCMNQESA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001191444581 1367504690 /nfs/dbraw/zinc/50/46/90/1367504690.db2.gz OLBJDUXJVNOIKK-QUCCMNQESA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001191444581 1367504698 /nfs/dbraw/zinc/50/46/98/1367504698.db2.gz OLBJDUXJVNOIKK-QUCCMNQESA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001191444581 1367504701 /nfs/dbraw/zinc/50/47/01/1367504701.db2.gz OLBJDUXJVNOIKK-QUCCMNQESA-N 2 2 343.515 3.376 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711633 1367549506 /nfs/dbraw/zinc/54/95/06/1367549506.db2.gz NGNLONCMQLWNHQ-UAGQMJEPSA-N 2 2 338.455 3.112 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292720 1367740067 /nfs/dbraw/zinc/74/00/67/1367740067.db2.gz BOZHATOSCCPTSC-CVEARBPZSA-N 2 2 346.519 3.189 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292720 1367740072 /nfs/dbraw/zinc/74/00/72/1367740072.db2.gz BOZHATOSCCPTSC-CVEARBPZSA-N 2 2 346.519 3.189 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577268 1367822703 /nfs/dbraw/zinc/82/27/03/1367822703.db2.gz FASHYIZIWQOPBF-XXCOWLKOSA-N 2 2 332.492 3.113 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001192577268 1367822708 /nfs/dbraw/zinc/82/27/08/1367822708.db2.gz FASHYIZIWQOPBF-XXCOWLKOSA-N 2 2 332.492 3.113 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576933 1367823002 /nfs/dbraw/zinc/82/30/02/1367823002.db2.gz BJDBDIXOBNPHDA-IAGOWNOFSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576933 1367823006 /nfs/dbraw/zinc/82/30/06/1367823006.db2.gz BJDBDIXOBNPHDA-IAGOWNOFSA-N 2 2 334.508 3.193 20 0 EGADLP CC(C)CC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243366 1368575294 /nfs/dbraw/zinc/57/52/94/1368575294.db2.gz ZBRXPOVTGZHQSA-GOSISDBHSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)CC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243366 1368575298 /nfs/dbraw/zinc/57/52/98/1368575298.db2.gz ZBRXPOVTGZHQSA-GOSISDBHSA-N 2 2 334.508 3.051 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001112865117 1369056725 /nfs/dbraw/zinc/05/67/25/1369056725.db2.gz UJIDYNHEMODQJM-ZEVQVBBLSA-N 2 2 346.519 3.287 20 0 EGADLP Cn1c[nH+]cc1C1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001198769877 1369109315 /nfs/dbraw/zinc/10/93/15/1369109315.db2.gz OTFGYCDNZRNOMC-UHFFFAOYSA-N 2 2 335.354 3.121 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)c1ccccc1 ZINC001113684065 1369563913 /nfs/dbraw/zinc/56/39/13/1369563913.db2.gz LPEVOBNJNHGFKX-LJQANCHMSA-N 2 2 345.531 3.260 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558563 1369575324 /nfs/dbraw/zinc/57/53/24/1369575324.db2.gz CRAVKURICLYLSA-SXLOBPIMSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558563 1369575327 /nfs/dbraw/zinc/57/53/27/1369575327.db2.gz CRAVKURICLYLSA-SXLOBPIMSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558563 1369575329 /nfs/dbraw/zinc/57/53/29/1369575329.db2.gz CRAVKURICLYLSA-SXLOBPIMSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558563 1369575333 /nfs/dbraw/zinc/57/53/33/1369575333.db2.gz CRAVKURICLYLSA-SXLOBPIMSA-N 2 2 332.536 3.390 20 0 EGADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1F ZINC001201625849 1369592683 /nfs/dbraw/zinc/59/26/83/1369592683.db2.gz FGBNHNSPGUJRHG-KRWDZBQOSA-N 2 2 346.421 3.211 20 0 EGADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1F ZINC001201625849 1369592688 /nfs/dbraw/zinc/59/26/88/1369592688.db2.gz FGBNHNSPGUJRHG-KRWDZBQOSA-N 2 2 346.421 3.211 20 0 EGADLP CC(C)(C[NH2+]Cc1cccc2c1OC(F)(F)O2)C[NH+]1CCCC1 ZINC001202242496 1369721444 /nfs/dbraw/zinc/72/14/44/1369721444.db2.gz MRCKEVAFURHDQT-UHFFFAOYSA-N 2 2 326.387 3.220 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccncc1)CC2 ZINC001204078983 1370369766 /nfs/dbraw/zinc/36/97/66/1370369766.db2.gz FFMVNCRAYMZFID-UHFFFAOYSA-N 2 2 340.471 3.317 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccncc1)CC2 ZINC001204078983 1370369768 /nfs/dbraw/zinc/36/97/68/1370369768.db2.gz FFMVNCRAYMZFID-UHFFFAOYSA-N 2 2 340.471 3.317 20 0 EGADLP CSc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204139234 1370386995 /nfs/dbraw/zinc/38/69/95/1370386995.db2.gz GMWUVLQFHHKYTH-ROUUACIJSA-N 2 2 339.508 3.367 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC001204272806 1370428273 /nfs/dbraw/zinc/42/82/73/1370428273.db2.gz SQKHHFZBXRHIOI-LJQANCHMSA-N 2 2 340.471 3.144 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC001204272806 1370428275 /nfs/dbraw/zinc/42/82/75/1370428275.db2.gz SQKHHFZBXRHIOI-LJQANCHMSA-N 2 2 340.471 3.144 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001204287851 1370432409 /nfs/dbraw/zinc/43/24/09/1370432409.db2.gz DVBVSIXHVYODQY-UHFFFAOYSA-N 2 2 335.455 3.205 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001204287884 1370432772 /nfs/dbraw/zinc/43/27/72/1370432772.db2.gz ADYRCHXVRQSXMP-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)cc1F)CC2 ZINC001204555557 1370513654 /nfs/dbraw/zinc/51/36/54/1370513654.db2.gz MDRHKIDQNYNLGX-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]CCC(C)C)CCCCC1 ZINC001115591824 1370592435 /nfs/dbraw/zinc/59/24/35/1370592435.db2.gz GREXALHNVSQENB-UHFFFAOYSA-N 2 2 347.503 3.088 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115591868 1370593147 /nfs/dbraw/zinc/59/31/47/1370593147.db2.gz JILDNSIKHVYUEN-INIZCTEOSA-N 2 2 348.535 3.381 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001115604571 1370603875 /nfs/dbraw/zinc/60/38/75/1370603875.db2.gz JPFPRJWYGCJJHM-KRWDZBQOSA-N 2 2 346.519 3.044 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001205018751 1370631126 /nfs/dbraw/zinc/63/11/26/1370631126.db2.gz YTVQDHPBLIOJAO-LBPRGKRZSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001205018751 1370631136 /nfs/dbraw/zinc/63/11/36/1370631136.db2.gz YTVQDHPBLIOJAO-LBPRGKRZSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)cc1 ZINC001187277413 1388086225 /nfs/dbraw/zinc/08/62/25/1388086225.db2.gz FGTKDPLCYYWVPT-UHFFFAOYSA-N 2 2 347.422 3.040 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124398 1370658044 /nfs/dbraw/zinc/65/80/44/1370658044.db2.gz PZUUBJVXMSNFKC-CYBMUJFWSA-N 2 2 327.266 3.079 20 0 EGADLP Cc1c(Cl)c(Br)ccc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150743 1370664851 /nfs/dbraw/zinc/66/48/51/1370664851.db2.gz JFMAJQXJHYBQEZ-JOYOIKCWSA-N 2 2 331.685 3.438 20 0 EGADLP Cc1c(Cl)c(Br)ccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150743 1370664848 /nfs/dbraw/zinc/66/48/48/1370664848.db2.gz JFMAJQXJHYBQEZ-JOYOIKCWSA-N 2 2 331.685 3.438 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205450093 1370759885 /nfs/dbraw/zinc/75/98/85/1370759885.db2.gz WRIPPMQODDTDNG-UHFFFAOYSA-N 2 2 336.361 3.126 20 0 EGADLP CCC[NH2+]C1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC001115802629 1370785972 /nfs/dbraw/zinc/78/59/72/1370785972.db2.gz DBSGHXVMQBBFNT-UHFFFAOYSA-N 2 2 340.471 3.305 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653278 1370828708 /nfs/dbraw/zinc/82/87/08/1370828708.db2.gz SKIFXXRGRAMDLT-HUUCEWRRSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653278 1370828711 /nfs/dbraw/zinc/82/87/11/1370828711.db2.gz SKIFXXRGRAMDLT-HUUCEWRRSA-N 3 2 332.879 3.333 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205780407 1370866461 /nfs/dbraw/zinc/86/64/61/1370866461.db2.gz PQWYDFUKSOVNGM-HNNXBMFYSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205780407 1370866465 /nfs/dbraw/zinc/86/64/65/1370866465.db2.gz PQWYDFUKSOVNGM-HNNXBMFYSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205780409 1370866614 /nfs/dbraw/zinc/86/66/14/1370866614.db2.gz PQWYDFUKSOVNGM-OAHLLOKOSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205780409 1370866619 /nfs/dbraw/zinc/86/66/19/1370866619.db2.gz PQWYDFUKSOVNGM-OAHLLOKOSA-N 2 2 335.373 3.304 20 0 EGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001205795184 1370873645 /nfs/dbraw/zinc/87/36/45/1370873645.db2.gz DGZVURKWVNOGJX-MRXNPFEDSA-N 2 2 347.409 3.173 20 0 EGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001205795184 1370873649 /nfs/dbraw/zinc/87/36/49/1370873649.db2.gz DGZVURKWVNOGJX-MRXNPFEDSA-N 2 2 347.409 3.173 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923020 1370911887 /nfs/dbraw/zinc/91/18/87/1370911887.db2.gz GQCJRAZQTSDQPH-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923020 1370911889 /nfs/dbraw/zinc/91/18/89/1370911889.db2.gz GQCJRAZQTSDQPH-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP Fc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc(N2CCCC2)c1 ZINC001206114550 1370963456 /nfs/dbraw/zinc/96/34/56/1370963456.db2.gz ZVYKIGGXWRUNPW-UHFFFAOYSA-N 2 2 336.414 3.427 20 0 EGADLP COc1ccc2cc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001206173191 1370980158 /nfs/dbraw/zinc/98/01/58/1370980158.db2.gz FZAQFWHSOBCPGY-CABCVRRESA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c(Cl)nc2c1 ZINC001206173191 1370980162 /nfs/dbraw/zinc/98/01/62/1370980162.db2.gz FZAQFWHSOBCPGY-CABCVRRESA-N 2 2 337.826 3.158 20 0 EGADLP Cc1c(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206197923 1370990440 /nfs/dbraw/zinc/99/04/40/1370990440.db2.gz KKRBBEULLKCBRG-GJZGRUSLSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1c(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)ccc1Br ZINC001206197923 1370990445 /nfs/dbraw/zinc/99/04/45/1370990445.db2.gz KKRBBEULLKCBRG-GJZGRUSLSA-N 2 2 329.257 3.327 20 0 EGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206201844 1370991513 /nfs/dbraw/zinc/99/15/13/1370991513.db2.gz ZHYBVSPFKPFRPJ-CABCVRRESA-N 2 2 329.257 3.273 20 0 EGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206201844 1370991517 /nfs/dbraw/zinc/99/15/17/1370991517.db2.gz ZHYBVSPFKPFRPJ-CABCVRRESA-N 2 2 329.257 3.273 20 0 EGADLP Cn1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213514 1370994922 /nfs/dbraw/zinc/99/49/22/1370994922.db2.gz IKGQNTQAXNUNSG-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213514 1370994923 /nfs/dbraw/zinc/99/49/23/1370994923.db2.gz IKGQNTQAXNUNSG-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213514 1370994925 /nfs/dbraw/zinc/99/49/25/1370994925.db2.gz IKGQNTQAXNUNSG-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213514 1370994928 /nfs/dbraw/zinc/99/49/28/1370994928.db2.gz IKGQNTQAXNUNSG-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206540796 1371087581 /nfs/dbraw/zinc/08/75/81/1371087581.db2.gz DAPJIINPOSREMN-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206540796 1371087587 /nfs/dbraw/zinc/08/75/87/1371087587.db2.gz DAPJIINPOSREMN-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206622781 1371111515 /nfs/dbraw/zinc/11/15/15/1371111515.db2.gz GVGQJMWLPUBVBV-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206622781 1371111517 /nfs/dbraw/zinc/11/15/17/1371111517.db2.gz GVGQJMWLPUBVBV-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206622559 1371111792 /nfs/dbraw/zinc/11/17/92/1371111792.db2.gz FTCLJKJHBVYQHI-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206622559 1371111794 /nfs/dbraw/zinc/11/17/94/1371111794.db2.gz FTCLJKJHBVYQHI-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(F)cc1Br ZINC001206632477 1371114593 /nfs/dbraw/zinc/11/45/93/1371114593.db2.gz LEMOBZPLDLUYJU-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(F)cc1Br ZINC001206632477 1371114598 /nfs/dbraw/zinc/11/45/98/1371114598.db2.gz LEMOBZPLDLUYJU-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)sc2C1 ZINC001118629171 1371208212 /nfs/dbraw/zinc/20/82/12/1371208212.db2.gz CFYBEKXZNCSGJM-HOCLYGCPSA-N 2 2 333.545 3.480 20 0 EGADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)sc2C1 ZINC001118629171 1371208219 /nfs/dbraw/zinc/20/82/19/1371208219.db2.gz CFYBEKXZNCSGJM-HOCLYGCPSA-N 2 2 333.545 3.480 20 0 EGADLP C[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)NC(=O)OC(C)(C)C ZINC001119327614 1371313566 /nfs/dbraw/zinc/31/35/66/1371313566.db2.gz IMOPUVLVLOVNGU-WBVHZDCISA-N 2 2 344.459 3.127 20 0 EGADLP CC[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207246443 1371340257 /nfs/dbraw/zinc/34/02/57/1371340257.db2.gz XUKIKEATZUWBPJ-INIZCTEOSA-N 2 2 339.524 3.050 20 0 EGADLP CC[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207246443 1371340265 /nfs/dbraw/zinc/34/02/65/1371340265.db2.gz XUKIKEATZUWBPJ-INIZCTEOSA-N 2 2 339.524 3.050 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c2ncccc12 ZINC001119450976 1371346706 /nfs/dbraw/zinc/34/67/06/1371346706.db2.gz RINHZQZBBCUDFE-UHFFFAOYSA-N 2 2 343.446 3.107 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360414 1371373275 /nfs/dbraw/zinc/37/32/75/1371373275.db2.gz YWTKPBVSCGKSCB-DLBZAZTESA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360414 1371373278 /nfs/dbraw/zinc/37/32/78/1371373278.db2.gz YWTKPBVSCGKSCB-DLBZAZTESA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360414 1371373283 /nfs/dbraw/zinc/37/32/83/1371373283.db2.gz YWTKPBVSCGKSCB-DLBZAZTESA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360414 1371373288 /nfs/dbraw/zinc/37/32/88/1371373288.db2.gz YWTKPBVSCGKSCB-DLBZAZTESA-N 2 2 348.535 3.305 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399898 1371384875 /nfs/dbraw/zinc/38/48/75/1371384875.db2.gz YQKLLIIXUXGOLF-UHFFFAOYSA-N 3 2 333.495 3.064 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207399898 1371384881 /nfs/dbraw/zinc/38/48/81/1371384881.db2.gz YQKLLIIXUXGOLF-UHFFFAOYSA-N 3 2 333.495 3.064 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625307 1371456828 /nfs/dbraw/zinc/45/68/28/1371456828.db2.gz OCZVTNVFWYTZGS-TZNCUMHOSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625307 1371456831 /nfs/dbraw/zinc/45/68/31/1371456831.db2.gz OCZVTNVFWYTZGS-TZNCUMHOSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625307 1371456837 /nfs/dbraw/zinc/45/68/37/1371456837.db2.gz OCZVTNVFWYTZGS-TZNCUMHOSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625307 1371456839 /nfs/dbraw/zinc/45/68/39/1371456839.db2.gz OCZVTNVFWYTZGS-TZNCUMHOSA-N 2 2 329.513 3.252 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659280 1371466611 /nfs/dbraw/zinc/46/66/11/1371466611.db2.gz QJTYTFKVQPCUSV-KZNAEPCWSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659280 1371466613 /nfs/dbraw/zinc/46/66/13/1371466613.db2.gz QJTYTFKVQPCUSV-KZNAEPCWSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CCSCC1)[C@@H]2C ZINC001207727540 1371487215 /nfs/dbraw/zinc/48/72/15/1371487215.db2.gz GGKAACMSYZJITO-OAHLLOKOSA-N 2 2 336.549 3.243 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CCSCC1)[C@@H]2C ZINC001207727540 1371487220 /nfs/dbraw/zinc/48/72/20/1371487220.db2.gz GGKAACMSYZJITO-OAHLLOKOSA-N 2 2 336.549 3.243 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CCSCC1)[C@@H]2C ZINC001207727540 1371487224 /nfs/dbraw/zinc/48/72/24/1371487224.db2.gz GGKAACMSYZJITO-OAHLLOKOSA-N 2 2 336.549 3.243 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CCSCC1)[C@@H]2C ZINC001207727540 1371487227 /nfs/dbraw/zinc/48/72/27/1371487227.db2.gz GGKAACMSYZJITO-OAHLLOKOSA-N 2 2 336.549 3.243 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC001207730215 1371487838 /nfs/dbraw/zinc/48/78/38/1371487838.db2.gz UWMJUSZSXDBBQK-GDBMZVCRSA-N 2 2 337.895 3.439 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1Cl ZINC001207730215 1371487840 /nfs/dbraw/zinc/48/78/40/1371487840.db2.gz UWMJUSZSXDBBQK-GDBMZVCRSA-N 2 2 337.895 3.439 20 0 EGADLP CC1CCC(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCCCC2)CC1 ZINC001120248787 1371513848 /nfs/dbraw/zinc/51/38/48/1371513848.db2.gz VRAHVSGIFHKEKR-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([NH2+]CCCC(C)C)C3)ccn12 ZINC001208048654 1371580413 /nfs/dbraw/zinc/58/04/13/1371580413.db2.gz JDSTUMSWCVWURF-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001208088692 1371593184 /nfs/dbraw/zinc/59/31/84/1371593184.db2.gz MEZREUVGQDKBNA-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001208088692 1371593189 /nfs/dbraw/zinc/59/31/89/1371593189.db2.gz MEZREUVGQDKBNA-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001208088692 1371593191 /nfs/dbraw/zinc/59/31/91/1371593191.db2.gz MEZREUVGQDKBNA-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001208088692 1371593194 /nfs/dbraw/zinc/59/31/94/1371593194.db2.gz MEZREUVGQDKBNA-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170349 1371616832 /nfs/dbraw/zinc/61/68/32/1371616832.db2.gz PZWCGMRAMXQXEH-KCLUMXDGSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170349 1371616838 /nfs/dbraw/zinc/61/68/38/1371616838.db2.gz PZWCGMRAMXQXEH-KCLUMXDGSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170349 1371616841 /nfs/dbraw/zinc/61/68/41/1371616841.db2.gz PZWCGMRAMXQXEH-KCLUMXDGSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170349 1371616844 /nfs/dbraw/zinc/61/68/44/1371616844.db2.gz PZWCGMRAMXQXEH-KCLUMXDGSA-N 2 2 342.531 3.166 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)c[nH+]1 ZINC001208410974 1371757629 /nfs/dbraw/zinc/75/76/29/1371757629.db2.gz KACIDXRUQMSRGB-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551796 1371813434 /nfs/dbraw/zinc/81/34/34/1371813434.db2.gz OSIJVWYAMITIGJ-DLBZAZTESA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605487 1371838474 /nfs/dbraw/zinc/83/84/74/1371838474.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 3 2 341.543 3.439 20 0 EGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605487 1371838476 /nfs/dbraw/zinc/83/84/76/1371838476.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 3 2 341.543 3.439 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605487 1371838479 /nfs/dbraw/zinc/83/84/79/1371838479.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 3 2 341.543 3.439 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605487 1371838483 /nfs/dbraw/zinc/83/84/83/1371838483.db2.gz AQUPNCFTIFXUJQ-MNAPGUCWSA-N 3 2 341.543 3.439 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H](C)OCc2ccccc2)C1 ZINC001208705615 1371869549 /nfs/dbraw/zinc/86/95/49/1371869549.db2.gz ZJAUMXOINHLBGP-HKUYNNGSSA-N 2 2 326.440 3.448 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H](C)OCc2ccccc2)C1 ZINC001208705615 1371869553 /nfs/dbraw/zinc/86/95/53/1371869553.db2.gz ZJAUMXOINHLBGP-HKUYNNGSSA-N 2 2 326.440 3.448 20 0 EGADLP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208806099 1371901506 /nfs/dbraw/zinc/90/15/06/1371901506.db2.gz IDRMALIFCYCJLE-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP COCC[N@H+](CCCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208813598 1371903603 /nfs/dbraw/zinc/90/36/03/1371903603.db2.gz NECHNFUUCDOURX-UHFFFAOYSA-N 2 2 348.531 3.416 20 0 EGADLP COCC[N@@H+](CCCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208813598 1371903607 /nfs/dbraw/zinc/90/36/07/1371903607.db2.gz NECHNFUUCDOURX-UHFFFAOYSA-N 2 2 348.531 3.416 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985503 1371968147 /nfs/dbraw/zinc/96/81/47/1371968147.db2.gz UEXJYSSNMGICTQ-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985503 1371968149 /nfs/dbraw/zinc/96/81/49/1371968149.db2.gz UEXJYSSNMGICTQ-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC1C[C@H](C)O[C@@H](C)C1)CC2 ZINC001209382865 1372084811 /nfs/dbraw/zinc/08/48/11/1372084811.db2.gz STJWEGKKXMXWBZ-HOTGVXAUSA-N 2 2 348.535 3.087 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC1C[C@H](C)O[C@@H](C)C1)CC2 ZINC001209382865 1372084812 /nfs/dbraw/zinc/08/48/12/1372084812.db2.gz STJWEGKKXMXWBZ-HOTGVXAUSA-N 2 2 348.535 3.087 20 0 EGADLP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121848924 1372101093 /nfs/dbraw/zinc/10/10/93/1372101093.db2.gz SYELGQCGWMNDRH-FOIVRNNFSA-N 2 2 344.503 3.208 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209569626 1372139831 /nfs/dbraw/zinc/13/98/31/1372139831.db2.gz UAEFQDPEQIVODI-OSNZYPHYSA-N 2 2 344.503 3.157 20 0 EGADLP CCC[N@H+](Cc1c[nH+]ccc1N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209733459 1372179889 /nfs/dbraw/zinc/17/98/89/1372179889.db2.gz XVCHIWDDLQFKEM-UHFFFAOYSA-N 2 2 348.491 3.106 20 0 EGADLP CCC[N@@H+](Cc1c[nH+]ccc1N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209733459 1372179896 /nfs/dbraw/zinc/17/98/96/1372179896.db2.gz XVCHIWDDLQFKEM-UHFFFAOYSA-N 2 2 348.491 3.106 20 0 EGADLP Cn1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c2cccnc21 ZINC001209749818 1372183493 /nfs/dbraw/zinc/18/34/93/1372183493.db2.gz AONGHNVABIHYPP-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c2cccnc21 ZINC001209749818 1372183498 /nfs/dbraw/zinc/18/34/98/1372183498.db2.gz AONGHNVABIHYPP-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001498 1373444585 /nfs/dbraw/zinc/44/45/85/1373444585.db2.gz QRCWFAPXLGFYLS-IEBWSBKVSA-N 2 2 342.487 3.246 20 0 EGADLP Cc1ccc([C@@H]2C[C@H]2c2nnc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217704503 1373491573 /nfs/dbraw/zinc/49/15/73/1373491573.db2.gz GOUXAVCXAJQPEQ-GVDBMIGSSA-N 2 2 338.455 3.196 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001218811283 1373655985 /nfs/dbraw/zinc/65/59/85/1373655985.db2.gz FCYFGHJJNXNCMQ-YLJYHZDGSA-N 2 2 346.434 3.347 20 0 EGADLP C[C@]12CC3CC(NC(=O)c4ccc([C@@H]([NH3+])C[NH3+])cc4)(C1)C[C@@](C)(C3)C2 ZINC001219994128 1373744320 /nfs/dbraw/zinc/74/43/20/1373744320.db2.gz DHVIFCZXBDODHO-PJIDPLHZSA-N 2 2 341.499 3.124 20 0 EGADLP C[NH+]1CCC(c2ccc(C(=O)Nc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001188305926 1388287491 /nfs/dbraw/zinc/28/74/91/1388287491.db2.gz LQQQLSHAPCSWKV-UHFFFAOYSA-N 2 2 334.423 3.396 20 0 EGADLP CC1CCC(C[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001131977024 1375079002 /nfs/dbraw/zinc/07/90/02/1375079002.db2.gz UUOMCWYJEZJIAF-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP O=C(NCC[NH2+]CC1CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131977236 1375079259 /nfs/dbraw/zinc/07/92/59/1375079259.db2.gz YYQPSUNDOGOBQL-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091171 1375141217 /nfs/dbraw/zinc/14/12/17/1375141217.db2.gz TWUCNGREWXXLHN-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132091171 1375141227 /nfs/dbraw/zinc/14/12/27/1375141227.db2.gz TWUCNGREWXXLHN-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091171 1375141231 /nfs/dbraw/zinc/14/12/31/1375141231.db2.gz TWUCNGREWXXLHN-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC1CCCC1 ZINC001132091171 1375141236 /nfs/dbraw/zinc/14/12/36/1375141236.db2.gz TWUCNGREWXXLHN-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001227073814 1375384902 /nfs/dbraw/zinc/38/49/02/1375384902.db2.gz SKCJQNXKBZCPNH-IAGOWNOFSA-N 2 2 346.450 3.333 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132456781 1375398821 /nfs/dbraw/zinc/39/88/21/1375398821.db2.gz HYPPWPMQQBXUEW-DLBZAZTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCCC(C)(C)C ZINC001132456781 1375398826 /nfs/dbraw/zinc/39/88/26/1375398826.db2.gz HYPPWPMQQBXUEW-DLBZAZTESA-N 2 2 348.535 3.148 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227166927 1375400868 /nfs/dbraw/zinc/40/08/68/1375400868.db2.gz WPGTZRVQNGISIV-BRWVUGGUSA-N 2 2 346.519 3.030 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227166927 1375400870 /nfs/dbraw/zinc/40/08/70/1375400870.db2.gz WPGTZRVQNGISIV-BRWVUGGUSA-N 2 2 346.519 3.030 20 0 EGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132824035 1375584166 /nfs/dbraw/zinc/58/41/66/1375584166.db2.gz PPYNCRWCFBZHDP-QAPCUYQASA-N 2 2 342.487 3.131 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001327141161 1388398470 /nfs/dbraw/zinc/39/84/70/1388398470.db2.gz CLKLDYJBFMFVTG-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001327141161 1388398475 /nfs/dbraw/zinc/39/84/75/1388398475.db2.gz CLKLDYJBFMFVTG-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+](CC2CCCCCC2)CC1)n1cc[nH+]c1 ZINC001229385394 1375824172 /nfs/dbraw/zinc/82/41/72/1375824172.db2.gz SFXDZYFLZANPKW-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1[nH]cc[nH+]1 ZINC001133396187 1375979764 /nfs/dbraw/zinc/97/97/64/1375979764.db2.gz VGPIZMRSJYAPLK-UHFFFAOYSA-N 2 2 348.878 3.023 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344086 1376004759 /nfs/dbraw/zinc/00/47/59/1376004759.db2.gz APVXIOIDVDOJQC-XOIGSVRCSA-N 2 2 346.519 3.427 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230581200 1376084592 /nfs/dbraw/zinc/08/45/92/1376084592.db2.gz WNKKKUMRBOCMCI-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230581200 1376084596 /nfs/dbraw/zinc/08/45/96/1376084596.db2.gz WNKKKUMRBOCMCI-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP c1nn(-c2ccccc2)c2c1C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013738 1376383101 /nfs/dbraw/zinc/38/31/01/1376383101.db2.gz DLTVGLWZJSXFTL-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP c1nn(-c2ccccc2)c2c1C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013738 1376383105 /nfs/dbraw/zinc/38/31/05/1376383105.db2.gz DLTVGLWZJSXFTL-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001232016600 1376386677 /nfs/dbraw/zinc/38/66/77/1376386677.db2.gz DHRLXRLVEFSFKL-KBPBESRZSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001232016600 1376386679 /nfs/dbraw/zinc/38/66/79/1376386679.db2.gz DHRLXRLVEFSFKL-KBPBESRZSA-N 2 2 344.459 3.393 20 0 EGADLP Cc1nnc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)s1 ZINC001232241505 1376423208 /nfs/dbraw/zinc/42/32/08/1376423208.db2.gz BDNUUIVXYYRNHT-UHFFFAOYSA-N 2 2 348.541 3.396 20 0 EGADLP Cc1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)s1 ZINC001232241505 1376423210 /nfs/dbraw/zinc/42/32/10/1376423210.db2.gz BDNUUIVXYYRNHT-UHFFFAOYSA-N 2 2 348.541 3.396 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001134227657 1376423747 /nfs/dbraw/zinc/42/37/47/1376423747.db2.gz JEICJIYDMSYINF-CVEARBPZSA-N 2 2 348.535 3.432 20 0 EGADLP COc1cc(O)cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001232805112 1376518059 /nfs/dbraw/zinc/51/80/59/1376518059.db2.gz UQYFKBTTYXWPFA-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001232805112 1376518060 /nfs/dbraw/zinc/51/80/60/1376518060.db2.gz UQYFKBTTYXWPFA-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001232805112 1376518062 /nfs/dbraw/zinc/51/80/62/1376518062.db2.gz UQYFKBTTYXWPFA-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001232805112 1376518064 /nfs/dbraw/zinc/51/80/64/1376518064.db2.gz UQYFKBTTYXWPFA-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP CN(CCC[N@H+](C)CC1CCC(C)(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001327213472 1388447343 /nfs/dbraw/zinc/44/73/43/1388447343.db2.gz RPORSQWDOHECKM-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP CN(CCC[N@@H+](C)CC1CCC(C)(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001327213472 1388447347 /nfs/dbraw/zinc/44/73/47/1388447347.db2.gz RPORSQWDOHECKM-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP CN(CCC[N@H+](C)CC1CCC(C)(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001327213472 1388447353 /nfs/dbraw/zinc/44/73/53/1388447353.db2.gz RPORSQWDOHECKM-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP CN(CCC[N@@H+](C)CC1CCC(C)(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001327213472 1388447356 /nfs/dbraw/zinc/44/73/56/1388447356.db2.gz RPORSQWDOHECKM-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545954 1376585061 /nfs/dbraw/zinc/58/50/61/1376585061.db2.gz ULTUYBRQEGQDEV-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545954 1376585066 /nfs/dbraw/zinc/58/50/66/1376585066.db2.gz ULTUYBRQEGQDEV-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP Clc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001233315288 1376612334 /nfs/dbraw/zinc/61/23/34/1376612334.db2.gz GASTWAMVXRACCV-CVEARBPZSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001233315288 1376612342 /nfs/dbraw/zinc/61/23/42/1376612342.db2.gz GASTWAMVXRACCV-CVEARBPZSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001233315288 1376612353 /nfs/dbraw/zinc/61/23/53/1376612353.db2.gz GASTWAMVXRACCV-CVEARBPZSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)o1 ZINC001233315288 1376612358 /nfs/dbraw/zinc/61/23/58/1376612358.db2.gz GASTWAMVXRACCV-CVEARBPZSA-N 2 2 331.847 3.282 20 0 EGADLP c1cn2c(cccc2CN2CC[NH+](C3(c4ccccc4)CC3)CC2)[nH+]1 ZINC001233364104 1376629813 /nfs/dbraw/zinc/62/98/13/1376629813.db2.gz QJPYXHQTOJLATF-UHFFFAOYSA-N 2 2 332.451 3.141 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccsc2)c[nH+]1 ZINC001134729941 1376682562 /nfs/dbraw/zinc/68/25/62/1376682562.db2.gz QAFZVPXIWUOCGL-UONOGXRCSA-N 2 2 348.516 3.061 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730312 1376683279 /nfs/dbraw/zinc/68/32/79/1376683279.db2.gz VBVHOGYVYVPWOU-AISUJJHZSA-N 2 2 334.508 3.156 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001134743663 1376692006 /nfs/dbraw/zinc/69/20/06/1376692006.db2.gz AYPJDSGXFHDJRY-HOTGVXAUSA-N 2 2 346.519 3.300 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235189945 1376856262 /nfs/dbraw/zinc/85/62/62/1376856262.db2.gz QSCXJAGZEYHVRI-UHFFFAOYSA-N 2 2 336.863 3.235 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235189945 1376856270 /nfs/dbraw/zinc/85/62/70/1376856270.db2.gz QSCXJAGZEYHVRI-UHFFFAOYSA-N 2 2 336.863 3.235 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCOC2CCC2)c(C)[nH+]1 ZINC001135042971 1376865361 /nfs/dbraw/zinc/86/53/61/1376865361.db2.gz FGEWOAZOVIJVPY-GOEBONIOSA-N 2 2 347.503 3.062 20 0 EGADLP CC1([NH+]2CCN(Cc3cccc4[nH]cc(Cl)c43)CC2)CC[NH2+]CC1 ZINC001235816668 1376898941 /nfs/dbraw/zinc/89/89/41/1376898941.db2.gz VYFMVEOQPYJJKE-UHFFFAOYSA-N 2 2 346.906 3.081 20 0 EGADLP COC(=O)[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001236230225 1376942840 /nfs/dbraw/zinc/94/28/40/1376942840.db2.gz KDMYPXOGXNAAPN-IBGZPJMESA-N 2 2 330.472 3.071 20 0 EGADLP COC(=O)[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001236230225 1376942847 /nfs/dbraw/zinc/94/28/47/1376942847.db2.gz KDMYPXOGXNAAPN-IBGZPJMESA-N 2 2 330.472 3.071 20 0 EGADLP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCc3ncsc3C2)c1 ZINC001246939242 1377056391 /nfs/dbraw/zinc/05/63/91/1377056391.db2.gz UJIGPMRDYIGCDG-DLBZAZTESA-N 2 2 345.487 3.394 20 0 EGADLP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@H]2CCc3ncsc3C2)c1 ZINC001246939242 1377056396 /nfs/dbraw/zinc/05/63/96/1377056396.db2.gz UJIGPMRDYIGCDG-DLBZAZTESA-N 2 2 345.487 3.394 20 0 EGADLP CCOC(=O)C1CCC(N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001255266875 1377110229 /nfs/dbraw/zinc/11/02/29/1377110229.db2.gz XOBZDCDYGHKLSS-UHFFFAOYSA-N 2 2 345.487 3.070 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580547 1377154821 /nfs/dbraw/zinc/15/48/21/1377154821.db2.gz PIMKAZQFUOMXFO-LSDHHAIUSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840143 1377228555 /nfs/dbraw/zinc/22/85/55/1377228555.db2.gz DBCURLDJVYQOSI-JKSUJKDBSA-N 2 2 328.460 3.015 20 0 EGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001135962803 1377278500 /nfs/dbraw/zinc/27/85/00/1377278500.db2.gz HPGWGHYMQZJCJZ-UHFFFAOYSA-N 2 2 336.439 3.335 20 0 EGADLP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266456395 1377312529 /nfs/dbraw/zinc/31/25/29/1377312529.db2.gz VRXWWNMZYXYJIE-QGZVFWFLSA-N 2 2 342.487 3.227 20 0 EGADLP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266456395 1377312530 /nfs/dbraw/zinc/31/25/30/1377312530.db2.gz VRXWWNMZYXYJIE-QGZVFWFLSA-N 2 2 342.487 3.227 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136052065 1377313865 /nfs/dbraw/zinc/31/38/65/1377313865.db2.gz KKQGORZXKBWOHA-IRXDYDNUSA-N 2 2 348.535 3.196 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038164 1377462860 /nfs/dbraw/zinc/46/28/60/1377462860.db2.gz TYVPACMTGBJIDE-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038164 1377462862 /nfs/dbraw/zinc/46/28/62/1377462862.db2.gz TYVPACMTGBJIDE-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038164 1377462864 /nfs/dbraw/zinc/46/28/64/1377462864.db2.gz TYVPACMTGBJIDE-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038164 1377462867 /nfs/dbraw/zinc/46/28/67/1377462867.db2.gz TYVPACMTGBJIDE-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP c1cnc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc2n1 ZINC001137085482 1377475654 /nfs/dbraw/zinc/47/56/54/1377475654.db2.gz HGXADWWHHJKYPR-UHFFFAOYSA-N 2 2 336.483 3.470 20 0 EGADLP c1cnc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc2n1 ZINC001137085482 1377475656 /nfs/dbraw/zinc/47/56/56/1377475656.db2.gz HGXADWWHHJKYPR-UHFFFAOYSA-N 2 2 336.483 3.470 20 0 EGADLP c1cnn(-c2ccccc2C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001137093434 1377477270 /nfs/dbraw/zinc/47/72/70/1377477270.db2.gz DBKGAMPQCASNDZ-UHFFFAOYSA-N 2 2 334.423 3.311 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261300 1388500043 /nfs/dbraw/zinc/50/00/43/1388500043.db2.gz OZJHLBQOEATAFD-DCWZWWHRSA-N 2 2 344.503 3.113 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261300 1388500046 /nfs/dbraw/zinc/50/00/46/1388500046.db2.gz OZJHLBQOEATAFD-DCWZWWHRSA-N 2 2 344.503 3.113 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137176892 1377491607 /nfs/dbraw/zinc/49/16/07/1377491607.db2.gz VATGEDKQMNFBGR-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001137176892 1377491613 /nfs/dbraw/zinc/49/16/13/1377491613.db2.gz VATGEDKQMNFBGR-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001271591307 1377642567 /nfs/dbraw/zinc/64/25/67/1377642567.db2.gz JKQQMYQAAWRMLA-FUHWJXTLSA-N 2 2 340.471 3.074 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(F)F)c(OC)c3)C[C@@H]2C1 ZINC001138555934 1377741695 /nfs/dbraw/zinc/74/16/95/1377741695.db2.gz XQZMQOKHGRZFAM-GJZGRUSLSA-N 2 2 340.414 3.070 20 0 EGADLP COCC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C1CC[NH+](C)CC1 ZINC001138729737 1377775408 /nfs/dbraw/zinc/77/54/08/1377775408.db2.gz TZLDTSZNWXSBBQ-UHFFFAOYSA-N 2 2 334.504 3.163 20 0 EGADLP COCC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C1CC[NH+](C)CC1 ZINC001138729737 1377775409 /nfs/dbraw/zinc/77/54/09/1377775409.db2.gz TZLDTSZNWXSBBQ-UHFFFAOYSA-N 2 2 334.504 3.163 20 0 EGADLP C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059472 1377823196 /nfs/dbraw/zinc/82/31/96/1377823196.db2.gz CLBHTRICPRTHLE-SFHVURJKSA-N 2 2 336.479 3.466 20 0 EGADLP C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059472 1377823199 /nfs/dbraw/zinc/82/31/99/1377823199.db2.gz CLBHTRICPRTHLE-SFHVURJKSA-N 2 2 336.479 3.466 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(F)cc(Br)c1 ZINC001139178573 1377844270 /nfs/dbraw/zinc/84/42/70/1377844270.db2.gz ZWESAEARDOQQNG-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(F)cc(Br)c1 ZINC001139178573 1377844274 /nfs/dbraw/zinc/84/42/74/1377844274.db2.gz ZWESAEARDOQQNG-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC001139178273 1377844582 /nfs/dbraw/zinc/84/45/82/1377844582.db2.gz SYNKNCIAYIRRCJ-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc4ccn(C)c4c3)CC2)CC1 ZINC001139208375 1377851490 /nfs/dbraw/zinc/85/14/90/1377851490.db2.gz UAAXNAVRPLEBGY-UHFFFAOYSA-N 2 2 341.499 3.254 20 0 EGADLP CCc1ccc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)s2)cc1 ZINC001139323231 1377867621 /nfs/dbraw/zinc/86/76/21/1377867621.db2.gz GXWOCALVZIFUKC-UHFFFAOYSA-N 2 2 344.528 3.089 20 0 EGADLP CCc1ccc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)s2)cc1 ZINC001139323231 1377867624 /nfs/dbraw/zinc/86/76/24/1377867624.db2.gz GXWOCALVZIFUKC-UHFFFAOYSA-N 2 2 344.528 3.089 20 0 EGADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139468573 1377889761 /nfs/dbraw/zinc/88/97/61/1377889761.db2.gz JBUGUIXXAALMRZ-UHFFFAOYSA-N 2 2 325.456 3.274 20 0 EGADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139468573 1377889765 /nfs/dbraw/zinc/88/97/65/1377889765.db2.gz JBUGUIXXAALMRZ-UHFFFAOYSA-N 2 2 325.456 3.274 20 0 EGADLP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759495 1377947801 /nfs/dbraw/zinc/94/78/01/1377947801.db2.gz GHLMCMNOTYIWJC-QZTJIDSGSA-N 2 2 332.488 3.161 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2nccc(Br)c12 ZINC001139945787 1377981251 /nfs/dbraw/zinc/98/12/51/1377981251.db2.gz PFKKEMVIGWJYRV-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2nccc(Br)c12 ZINC001139945787 1377981252 /nfs/dbraw/zinc/98/12/52/1377981252.db2.gz PFKKEMVIGWJYRV-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP Cn1ncc2cc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)ccc21 ZINC001139953011 1377982568 /nfs/dbraw/zinc/98/25/68/1377982568.db2.gz CCOWREKBESZKEL-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1ncc2cc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)ccc21 ZINC001139953011 1377982571 /nfs/dbraw/zinc/98/25/71/1377982571.db2.gz CCOWREKBESZKEL-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001140027950 1377992502 /nfs/dbraw/zinc/99/25/02/1377992502.db2.gz IFIUPEAYBZJYQB-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001140027950 1377992509 /nfs/dbraw/zinc/99/25/09/1377992509.db2.gz IFIUPEAYBZJYQB-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@H]2C1 ZINC001140099210 1378007809 /nfs/dbraw/zinc/00/78/09/1378007809.db2.gz XPOPENMGHHTNMY-HUUCEWRRSA-N 2 2 331.460 3.333 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCC3CC3)c2)CC1 ZINC001140490079 1378071077 /nfs/dbraw/zinc/07/10/77/1378071077.db2.gz HVJQNRAUYWKEBE-UHFFFAOYSA-N 2 2 332.488 3.400 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OCC3CC3)c2)CC1 ZINC001140490079 1378071079 /nfs/dbraw/zinc/07/10/79/1378071079.db2.gz HVJQNRAUYWKEBE-UHFFFAOYSA-N 2 2 332.488 3.400 20 0 EGADLP Cn1cnc2cc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)ccc21 ZINC001140512003 1378077010 /nfs/dbraw/zinc/07/70/10/1378077010.db2.gz OXCDMHVSCXOINW-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1cnc2cc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)ccc21 ZINC001140512003 1378077011 /nfs/dbraw/zinc/07/70/11/1378077011.db2.gz OXCDMHVSCXOINW-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C(=O)NC(C)C)cc2)CC1 ZINC001140616285 1378098369 /nfs/dbraw/zinc/09/83/69/1378098369.db2.gz ZPTBQVDPKNBCMZ-UHFFFAOYSA-N 2 2 331.504 3.131 20 0 EGADLP COc1cccc(Cl)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001140731057 1378126138 /nfs/dbraw/zinc/12/61/38/1378126138.db2.gz JZOZPGSDLTVJLF-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140771229 1378133798 /nfs/dbraw/zinc/13/37/98/1378133798.db2.gz SZZUVTHEZHMMJJ-MRXNPFEDSA-N 2 2 348.487 3.250 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140771229 1378133799 /nfs/dbraw/zinc/13/37/99/1378133799.db2.gz SZZUVTHEZHMMJJ-MRXNPFEDSA-N 2 2 348.487 3.250 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140783848 1378135637 /nfs/dbraw/zinc/13/56/37/1378135637.db2.gz MIMSXNCIZLHIFM-IAGOWNOFSA-N 2 2 333.435 3.392 20 0 EGADLP Fc1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1F ZINC001140801844 1378141482 /nfs/dbraw/zinc/14/14/82/1378141482.db2.gz HXPCJQLPXVJFNS-UHFFFAOYSA-N 2 2 328.366 3.163 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140803868 1378142050 /nfs/dbraw/zinc/14/20/50/1378142050.db2.gz ZKJXGESQIAPBRQ-IYBDPMFKSA-N 2 2 338.480 3.473 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2c[nH]c3cc[nH+]cc23)c1 ZINC001140803868 1378142056 /nfs/dbraw/zinc/14/20/56/1378142056.db2.gz ZKJXGESQIAPBRQ-IYBDPMFKSA-N 2 2 338.480 3.473 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140888986 1378171141 /nfs/dbraw/zinc/17/11/41/1378171141.db2.gz XSDDKOKGEDQWBR-UHFFFAOYSA-N 2 2 331.313 3.443 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140888986 1378171146 /nfs/dbraw/zinc/17/11/46/1378171146.db2.gz XSDDKOKGEDQWBR-UHFFFAOYSA-N 2 2 331.313 3.443 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(CN(Cc3cccc(N)[nH+]3)C2)C1 ZINC001276492030 1378175524 /nfs/dbraw/zinc/17/55/24/1378175524.db2.gz IWMOAXXGPSFTJN-KRWDZBQOSA-N 2 2 330.520 3.388 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CCC2(CN(Cc3cccc(N)[nH+]3)C2)C1 ZINC001276492030 1378175527 /nfs/dbraw/zinc/17/55/27/1378175527.db2.gz IWMOAXXGPSFTJN-KRWDZBQOSA-N 2 2 330.520 3.388 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974695 1378198234 /nfs/dbraw/zinc/19/82/34/1378198234.db2.gz GVQRZAIZOCJVAK-UHFFFAOYSA-N 2 2 345.437 3.349 20 0 EGADLP C[N@H+](Cc1cccc(F)c1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974695 1378198236 /nfs/dbraw/zinc/19/82/36/1378198236.db2.gz GVQRZAIZOCJVAK-UHFFFAOYSA-N 2 2 345.437 3.349 20 0 EGADLP CCCCc1[nH]c(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c[nH+]1 ZINC001141069405 1378229967 /nfs/dbraw/zinc/22/99/67/1378229967.db2.gz ZQILNTWCRUQOGJ-IYBDPMFKSA-N 2 2 344.528 3.378 20 0 EGADLP CCCCc1[nH]c(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c[nH+]1 ZINC001141069405 1378229972 /nfs/dbraw/zinc/22/99/72/1378229972.db2.gz ZQILNTWCRUQOGJ-IYBDPMFKSA-N 2 2 344.528 3.378 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143268026 1378572377 /nfs/dbraw/zinc/57/23/77/1378572377.db2.gz XEFQFZNVETXYTH-UHFFFAOYSA-N 2 2 331.313 3.443 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143268026 1378572379 /nfs/dbraw/zinc/57/23/79/1378572379.db2.gz XEFQFZNVETXYTH-UHFFFAOYSA-N 2 2 331.313 3.443 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc(C)c1F ZINC001143374203 1378588846 /nfs/dbraw/zinc/58/88/46/1378588846.db2.gz OPRSTJWPBXAPMP-WOJBJXKFSA-N 2 2 339.458 3.401 20 0 EGADLP C[NH+](C)CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001143706727 1378637568 /nfs/dbraw/zinc/63/75/68/1378637568.db2.gz KXEMBWKEECVJLN-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001283332198 1378814719 /nfs/dbraw/zinc/81/47/19/1378814719.db2.gz SBXYJJOBIKZBLX-MRXNPFEDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001283332198 1378814726 /nfs/dbraw/zinc/81/47/26/1378814726.db2.gz SBXYJJOBIKZBLX-MRXNPFEDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001283332198 1378814733 /nfs/dbraw/zinc/81/47/33/1378814733.db2.gz SBXYJJOBIKZBLX-MRXNPFEDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@@H+](C)CCCC(C)(C)C)CC1 ZINC001283332198 1378814738 /nfs/dbraw/zinc/81/47/38/1378814738.db2.gz SBXYJJOBIKZBLX-MRXNPFEDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146707735 1378904119 /nfs/dbraw/zinc/90/41/19/1378904119.db2.gz ZHRSGAWRVCOFQC-IAGOWNOFSA-N 2 2 332.492 3.037 20 0 EGADLP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362664 1380065243 /nfs/dbraw/zinc/06/52/43/1380065243.db2.gz RGJOTBJIFUJHGZ-OAHLLOKOSA-N 2 2 328.460 3.049 20 0 EGADLP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362664 1380065246 /nfs/dbraw/zinc/06/52/46/1380065246.db2.gz RGJOTBJIFUJHGZ-OAHLLOKOSA-N 2 2 328.460 3.049 20 0 EGADLP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153929961 1380156743 /nfs/dbraw/zinc/15/67/43/1380156743.db2.gz CQGKRNYAIJPGAI-IEBWSBKVSA-N 2 2 348.535 3.487 20 0 EGADLP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153929961 1380156745 /nfs/dbraw/zinc/15/67/45/1380156745.db2.gz CQGKRNYAIJPGAI-IEBWSBKVSA-N 2 2 348.535 3.487 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083297 1380202282 /nfs/dbraw/zinc/20/22/82/1380202282.db2.gz PUOGGOXVGRJSES-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083297 1380202286 /nfs/dbraw/zinc/20/22/86/1380202286.db2.gz PUOGGOXVGRJSES-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492212 1380288732 /nfs/dbraw/zinc/28/87/32/1380288732.db2.gz HFYNTFUDOQMAGM-DLBZAZTESA-N 2 2 342.487 3.359 20 0 EGADLP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492212 1380288733 /nfs/dbraw/zinc/28/87/33/1380288733.db2.gz HFYNTFUDOQMAGM-DLBZAZTESA-N 2 2 342.487 3.359 20 0 EGADLP CSc1ccc2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155062509 1380401151 /nfs/dbraw/zinc/40/11/51/1380401151.db2.gz DGGGIOPMKSPPFT-UHFFFAOYSA-N 2 2 325.441 3.004 20 0 EGADLP Cc1nc2sc3c(c2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1)CCC3 ZINC001155064851 1380401674 /nfs/dbraw/zinc/40/16/74/1380401674.db2.gz VGKLDWAKNIDBHI-UHFFFAOYSA-N 2 2 339.468 3.141 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189104 1380420995 /nfs/dbraw/zinc/42/09/95/1380420995.db2.gz GKKDLLGGDOFGRS-NXVGNOFTSA-N 2 2 346.519 3.403 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189104 1380420997 /nfs/dbraw/zinc/42/09/97/1380420997.db2.gz GKKDLLGGDOFGRS-NXVGNOFTSA-N 2 2 346.519 3.403 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520770 1380463699 /nfs/dbraw/zinc/46/36/99/1380463699.db2.gz CBTBVAVBPHTEHN-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520770 1380463702 /nfs/dbraw/zinc/46/37/02/1380463702.db2.gz CBTBVAVBPHTEHN-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP C[NH+](C)C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(Cl)cc1 ZINC001155641401 1380477693 /nfs/dbraw/zinc/47/76/93/1380477693.db2.gz BAWJMMBAFNRNTL-QGZVFWFLSA-N 2 2 342.830 3.249 20 0 EGADLP C[NH+]1CCN(c2cccc(NC(C)(C)Cc3ccc(F)cc3)[nH+]2)CC1 ZINC001155968838 1380509061 /nfs/dbraw/zinc/50/90/61/1380509061.db2.gz VRPFBVUUMPOFTG-UHFFFAOYSA-N 2 2 342.462 3.406 20 0 EGADLP CCCN(CCC)c1cc(N2CCC3(CC2)CC[NH+](C)CC3)nc[nH+]1 ZINC001156574592 1380595918 /nfs/dbraw/zinc/59/59/18/1380595918.db2.gz AGAXAVFSZSHVHG-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP CCCN(CCC)c1cc(N2CCC3(CC2)CC[NH+](C)CC3)[nH+]cn1 ZINC001156574592 1380595919 /nfs/dbraw/zinc/59/59/19/1380595919.db2.gz AGAXAVFSZSHVHG-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCCC2)cn1 ZINC001156788264 1380637786 /nfs/dbraw/zinc/63/77/86/1380637786.db2.gz QYQLMUSFBLHKNW-UHFFFAOYSA-N 2 2 347.466 3.500 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC001328185179 1388686418 /nfs/dbraw/zinc/68/64/18/1388686418.db2.gz NKSPGHPKVWUQJG-QGZVFWFLSA-N 2 2 334.504 3.407 20 0 EGADLP CCN(CCn1cc[nH+]c1)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001157462220 1380913278 /nfs/dbraw/zinc/91/32/78/1380913278.db2.gz DVYXBHHCOJAZIE-UHFFFAOYSA-N 2 2 333.867 3.054 20 0 EGADLP CCCN(CCC)c1cc(N2CCCC[C@]23CCC[NH2+]C3)nc[nH+]1 ZINC001157473683 1380926240 /nfs/dbraw/zinc/92/62/40/1380926240.db2.gz ZVDMNHKQDZXCBX-LJQANCHMSA-N 2 2 331.508 3.216 20 0 EGADLP Cc1ccc2c(C)cc(N3CCO[C@H](C[NH+]4CCCC4)C3)[nH+]c2c1C ZINC001158305752 1381193723 /nfs/dbraw/zinc/19/37/23/1381193723.db2.gz JJBIAGLMCDFNGI-GOSISDBHSA-N 2 2 339.483 3.461 20 0 EGADLP Cc1nc(N2CCO[C@@H](C[NH+]3CCCC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001158305250 1381194347 /nfs/dbraw/zinc/19/43/47/1381194347.db2.gz GKTVTQKDBODJAV-SFHVURJKSA-N 2 2 344.503 3.134 20 0 EGADLP C[NH+]1CCC(N(c2cc(N3CCCCC3)[nH+]cn2)C2CCCC2)CC1 ZINC001158487494 1381264917 /nfs/dbraw/zinc/26/49/17/1381264917.db2.gz DBUAFZUTTAETIG-UHFFFAOYSA-N 2 2 343.519 3.310 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCOc1ccccc1C ZINC001328356287 1388729260 /nfs/dbraw/zinc/72/92/60/1388729260.db2.gz SDQDMXQWCCEGHY-UHFFFAOYSA-N 2 2 336.395 3.292 20 0 EGADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001328362396 1388730194 /nfs/dbraw/zinc/73/01/94/1388730194.db2.gz DCJAMMUGCMLXOW-ZDUSSCGKSA-N 2 2 340.402 3.000 20 0 EGADLP CN(C)c1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc[nH+]1 ZINC001159288524 1381752873 /nfs/dbraw/zinc/75/28/73/1381752873.db2.gz RPXDTTIXVBZEGW-NNZMDNLPSA-N 2 2 337.471 3.150 20 0 EGADLP CN(C)c1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc[nH+]1 ZINC001159288524 1381752879 /nfs/dbraw/zinc/75/28/79/1381752879.db2.gz RPXDTTIXVBZEGW-NNZMDNLPSA-N 2 2 337.471 3.150 20 0 EGADLP CN(C)c1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]cn1 ZINC001159288524 1381752880 /nfs/dbraw/zinc/75/28/80/1381752880.db2.gz RPXDTTIXVBZEGW-NNZMDNLPSA-N 2 2 337.471 3.150 20 0 EGADLP CN(C)c1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]cn1 ZINC001159288524 1381752885 /nfs/dbraw/zinc/75/28/85/1381752885.db2.gz RPXDTTIXVBZEGW-NNZMDNLPSA-N 2 2 337.471 3.150 20 0 EGADLP CC(C)n1c[nH+]c2cc(Nc3cccnc3O[C@@H]3CC[NH2+]C3)ccc21 ZINC001159344900 1381772471 /nfs/dbraw/zinc/77/24/71/1381772471.db2.gz WNIXMFPQKRENBC-OAHLLOKOSA-N 2 2 337.427 3.497 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N)[nH+]cn1)c1ccc(Cl)cc1Cl ZINC001159515142 1381814823 /nfs/dbraw/zinc/81/48/23/1381814823.db2.gz LUFZXSSUEINDBF-LBPRGKRZSA-N 2 2 326.231 3.080 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001328459240 1388750712 /nfs/dbraw/zinc/75/07/12/1388750712.db2.gz YVBVSEJPUMJPJE-UHFFFAOYSA-N 2 2 349.369 3.377 20 0 EGADLP [NH3+][C@@H]1CCCN(c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2)C1 ZINC001159982761 1381958284 /nfs/dbraw/zinc/95/82/84/1381958284.db2.gz XOCVREFPHHTSJM-MRXNPFEDSA-N 2 2 337.471 3.353 20 0 EGADLP [NH3+][C@@H]1CCN(c2ccccc2Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001160040770 1381976368 /nfs/dbraw/zinc/97/63/68/1381976368.db2.gz PJAJGSHXHAFFQY-MRXNPFEDSA-N 2 2 337.471 3.353 20 0 EGADLP Cc1cc(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)ccc1[NH+](C)C ZINC001160056075 1381984184 /nfs/dbraw/zinc/98/41/84/1381984184.db2.gz OAAMROWVJZYZCJ-OAHLLOKOSA-N 2 2 328.435 3.481 20 0 EGADLP [NH3+]Cc1nccnc1Nc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001160246132 1382047765 /nfs/dbraw/zinc/04/77/65/1382047765.db2.gz VEWJZJPPOUJRDE-UHFFFAOYSA-N 2 2 330.395 3.077 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)nc[nH+]2)C1 ZINC001160475669 1382118277 /nfs/dbraw/zinc/11/82/77/1382118277.db2.gz HWHDRFJAPFLQFZ-LUKYLMHMSA-N 2 2 329.492 3.140 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nc[nH+]2)C1 ZINC001160475669 1382118281 /nfs/dbraw/zinc/11/82/81/1382118281.db2.gz HWHDRFJAPFLQFZ-LUKYLMHMSA-N 2 2 329.492 3.140 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[nH+]cn2)C1 ZINC001160475669 1382118287 /nfs/dbraw/zinc/11/82/87/1382118287.db2.gz HWHDRFJAPFLQFZ-LUKYLMHMSA-N 2 2 329.492 3.140 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[nH+]cn2)C1 ZINC001160475669 1382118290 /nfs/dbraw/zinc/11/82/90/1382118290.db2.gz HWHDRFJAPFLQFZ-LUKYLMHMSA-N 2 2 329.492 3.140 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1N(Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001160661158 1382163623 /nfs/dbraw/zinc/16/36/23/1382163623.db2.gz FBZPPWGUZIHPQP-CQSZACIVSA-N 2 2 341.455 3.086 20 0 EGADLP CC(C)CC[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666309 1382165628 /nfs/dbraw/zinc/16/56/28/1382165628.db2.gz YWYAXFGPNSSKLI-UHFFFAOYSA-N 2 2 340.471 3.132 20 0 EGADLP CC(C)CC[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160666309 1382165632 /nfs/dbraw/zinc/16/56/32/1382165632.db2.gz YWYAXFGPNSSKLI-UHFFFAOYSA-N 2 2 340.471 3.132 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](CC(=O)C(C)(C)C)CC3)c2c1C ZINC001161119568 1382306320 /nfs/dbraw/zinc/30/63/20/1382306320.db2.gz DDVZHMCFGYSWBL-UHFFFAOYSA-N 2 2 343.475 3.066 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161328453 1382371949 /nfs/dbraw/zinc/37/19/49/1382371949.db2.gz YJPXQORJSIKCAO-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161328453 1382371954 /nfs/dbraw/zinc/37/19/54/1382371954.db2.gz YJPXQORJSIKCAO-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP Cc1cc(NCC2(c3cccnc3)CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC001162036838 1382610273 /nfs/dbraw/zinc/61/02/73/1382610273.db2.gz NNKXKFOGHRWCCH-UHFFFAOYSA-N 2 2 325.460 3.037 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(F)cc2)c(C)[nH+]1 ZINC001162909982 1382913248 /nfs/dbraw/zinc/91/32/48/1382913248.db2.gz FTGAHKNMGXWRQO-UHFFFAOYSA-N 2 2 329.419 3.056 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162964390 1382929852 /nfs/dbraw/zinc/92/98/52/1382929852.db2.gz YWABOMFYCHOXDI-SFHVURJKSA-N 2 2 340.471 3.048 20 0 EGADLP c1cc2n(c1)C[C@@H](CCNc1cc(-c3ccncc3)cc[nH+]1)C[NH2+]C2 ZINC001163049781 1382954736 /nfs/dbraw/zinc/95/47/36/1382954736.db2.gz LHESGQDCCMHDHK-INIZCTEOSA-N 2 2 333.439 3.167 20 0 EGADLP Fc1ccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc1-n1cc[nH+]c1 ZINC001163064741 1382959686 /nfs/dbraw/zinc/95/96/86/1382959686.db2.gz GCECFNDHWZPTRE-HNNXBMFYSA-N 2 2 339.418 3.035 20 0 EGADLP CC1(C)CC(C[NH2+]CCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001163473307 1383059139 /nfs/dbraw/zinc/05/91/39/1383059139.db2.gz RDAASYCBIUVUTB-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP CCCc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165089859 1383225850 /nfs/dbraw/zinc/22/58/50/1383225850.db2.gz VEQBNKZOZJYQCA-UYAOXDASSA-N 2 2 336.483 3.448 20 0 EGADLP CCCc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165089859 1383225856 /nfs/dbraw/zinc/22/58/56/1383225856.db2.gz VEQBNKZOZJYQCA-UYAOXDASSA-N 2 2 336.483 3.448 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001167427954 1383630676 /nfs/dbraw/zinc/63/06/76/1383630676.db2.gz DMSFMCKIRPZKDP-WMZOPIPTSA-N 2 2 328.460 3.081 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001167429331 1383631568 /nfs/dbraw/zinc/63/15/68/1383631568.db2.gz RVFOVTBJMANNJI-YJBOKZPZSA-N 2 2 346.450 3.221 20 0 EGADLP Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429271 1383631613 /nfs/dbraw/zinc/63/16/13/1383631613.db2.gz QOZRRPUUVBSOFB-HNNXBMFYSA-N 2 2 348.878 3.092 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001167834948 1383754043 /nfs/dbraw/zinc/75/40/43/1383754043.db2.gz NYIDZOABNDERCH-SJORKVTESA-N 2 2 331.495 3.302 20 0 EGADLP C[C@@H]1C[C@@H](N[C@H]2C[NH+]3CCC2CC3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008624 1383795649 /nfs/dbraw/zinc/79/56/49/1383795649.db2.gz FPVLWPCNMWSHBG-JWWGGVBKSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[C@@H](N[C@H]2C[NH+]3CCC2CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008624 1383795653 /nfs/dbraw/zinc/79/56/53/1383795653.db2.gz FPVLWPCNMWSHBG-JWWGGVBKSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCC3(C[NH+](C)C3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054716 1383805622 /nfs/dbraw/zinc/80/56/22/1383805622.db2.gz AOMJIMXSIKBWFP-CEQLMSFQSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCC3(C[NH+](C)C3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054716 1383805628 /nfs/dbraw/zinc/80/56/28/1383805628.db2.gz AOMJIMXSIKBWFP-CEQLMSFQSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@H]1CC(N2CCC3(C[NH+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056270 1383805983 /nfs/dbraw/zinc/80/59/83/1383805983.db2.gz FBEHEKFKKUXVSP-ROUUACIJSA-N 2 2 327.516 3.066 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001168474173 1383916745 /nfs/dbraw/zinc/91/67/45/1383916745.db2.gz FIJDJLWDLMKMLB-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP COC(=O)C1(C)CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001168770995 1383998957 /nfs/dbraw/zinc/99/89/57/1383998957.db2.gz QCNUAFORFACLSO-UHFFFAOYSA-N 2 2 327.428 3.303 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307676790 1384012321 /nfs/dbraw/zinc/01/23/21/1384012321.db2.gz QFKZNDXCAMQSDB-RTBURBONSA-N 2 2 347.503 3.355 20 0 EGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828523 1384022354 /nfs/dbraw/zinc/02/23/54/1384022354.db2.gz HPXZCOYNXVFLHK-PMPSAXMXSA-N 2 2 339.524 3.237 20 0 EGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828523 1384022358 /nfs/dbraw/zinc/02/23/58/1384022358.db2.gz HPXZCOYNXVFLHK-PMPSAXMXSA-N 2 2 339.524 3.237 20 0 EGADLP O=C(NC1CC1)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001308234470 1384111565 /nfs/dbraw/zinc/11/15/65/1384111565.db2.gz UNWRSPSVIFLQLH-UHFFFAOYSA-N 2 2 346.434 3.054 20 0 EGADLP Cc1cc(F)ccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC001308336816 1384120252 /nfs/dbraw/zinc/12/02/52/1384120252.db2.gz FDXQLXNYBXKQDJ-GOSISDBHSA-N 2 2 328.435 3.282 20 0 EGADLP CC[NH+]1CCC([N@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169264403 1384129228 /nfs/dbraw/zinc/12/92/28/1384129228.db2.gz NMGBEFSVNISTBF-KRWDZBQOSA-N 2 2 339.524 3.191 20 0 EGADLP CC[NH+]1CCC([N@@H+](C(C)C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169264403 1384129230 /nfs/dbraw/zinc/12/92/30/1384129230.db2.gz NMGBEFSVNISTBF-KRWDZBQOSA-N 2 2 339.524 3.191 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3ccccc3Cl)CC2)c1 ZINC001170294903 1384284723 /nfs/dbraw/zinc/28/47/23/1384284723.db2.gz SZVBBORLLQMHDQ-HNNXBMFYSA-N 2 2 345.874 3.497 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483595 1384328288 /nfs/dbraw/zinc/32/82/88/1384328288.db2.gz NNUCWINVQKNQFU-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP CCOC(=O)C1=C(Nc2ccc3[nH+]c(C)n(C(C)C)c3c2)CC[NH2+]C1 ZINC001170516492 1384333566 /nfs/dbraw/zinc/33/35/66/1384333566.db2.gz DZLPTLBPODENEH-UHFFFAOYSA-N 2 2 342.443 3.148 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739160 1384375570 /nfs/dbraw/zinc/37/55/70/1384375570.db2.gz PDLQCZWXGXOYNE-UHZRXMQZSA-N 2 2 328.500 3.300 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739160 1384375573 /nfs/dbraw/zinc/37/55/73/1384375573.db2.gz PDLQCZWXGXOYNE-UHZRXMQZSA-N 2 2 328.500 3.300 20 0 EGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)C2 ZINC001171109683 1384447512 /nfs/dbraw/zinc/44/75/12/1384447512.db2.gz LHSINAPGNDZYOP-MSOLQXFVSA-N 2 2 334.891 3.040 20 0 EGADLP Clc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)C2 ZINC001171109683 1384447513 /nfs/dbraw/zinc/44/75/13/1384447513.db2.gz LHSINAPGNDZYOP-MSOLQXFVSA-N 2 2 334.891 3.040 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151785 1384455295 /nfs/dbraw/zinc/45/52/95/1384455295.db2.gz KIDORUKXPVZTHF-IAGOWNOFSA-N 2 2 342.487 3.368 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151785 1384455297 /nfs/dbraw/zinc/45/52/97/1384455297.db2.gz KIDORUKXPVZTHF-IAGOWNOFSA-N 2 2 342.487 3.368 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001171150588 1384455342 /nfs/dbraw/zinc/45/53/42/1384455342.db2.gz CNLTYLXMULDFOB-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001171150588 1384455344 /nfs/dbraw/zinc/45/53/44/1384455344.db2.gz CNLTYLXMULDFOB-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001171332672 1384496786 /nfs/dbraw/zinc/49/67/86/1384496786.db2.gz RYIFZDAVPJQSCZ-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001171332672 1384496788 /nfs/dbraw/zinc/49/67/88/1384496788.db2.gz RYIFZDAVPJQSCZ-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486217 1384537751 /nfs/dbraw/zinc/53/77/51/1384537751.db2.gz JHPPUYSAMUQUOO-MRXNPFEDSA-N 2 2 349.519 3.334 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486473 1384538073 /nfs/dbraw/zinc/53/80/73/1384538073.db2.gz KANSATTZUBJZOM-QGZVFWFLSA-N 2 2 349.519 3.478 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528354 1384552602 /nfs/dbraw/zinc/55/26/02/1384552602.db2.gz SDVNHDTYTFTSJJ-LSDHHAIUSA-N 2 2 330.476 3.487 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171603515 1384576645 /nfs/dbraw/zinc/57/66/45/1384576645.db2.gz ALDSVVQJDQOHJA-ZWKOTPCHSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784465 1384635492 /nfs/dbraw/zinc/63/54/92/1384635492.db2.gz NLVBSVJCYVYTGU-OAHLLOKOSA-N 2 2 328.460 3.013 20 0 EGADLP COCCCC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860533 1384663289 /nfs/dbraw/zinc/66/32/89/1384663289.db2.gz QOKCLDZKWPKPHW-MRXNPFEDSA-N 2 2 349.519 3.312 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171895298 1384673079 /nfs/dbraw/zinc/67/30/79/1384673079.db2.gz PRCMBGFYRCTWON-IBGZPJMESA-N 2 2 343.515 3.097 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171895298 1384673081 /nfs/dbraw/zinc/67/30/81/1384673081.db2.gz PRCMBGFYRCTWON-IBGZPJMESA-N 2 2 343.515 3.097 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978710 1384702014 /nfs/dbraw/zinc/70/20/14/1384702014.db2.gz LCAKDCGYNJFSGU-PMACEKPBSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171978710 1384702016 /nfs/dbraw/zinc/70/20/16/1384702016.db2.gz LCAKDCGYNJFSGU-PMACEKPBSA-N 2 2 339.483 3.148 20 0 EGADLP Cc1[nH+]cn([C@@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1CC[NH3+] ZINC001172080124 1384723081 /nfs/dbraw/zinc/72/30/81/1384723081.db2.gz MWGISHZFQDJRRI-MUJYYYPQSA-N 2 2 348.491 3.186 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)co2)c1 ZINC001172108896 1384728693 /nfs/dbraw/zinc/72/86/93/1384728693.db2.gz FKKANVKNECEXIW-XGWQRUHWSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)co2)c1 ZINC001172108896 1384728694 /nfs/dbraw/zinc/72/86/94/1384728694.db2.gz FKKANVKNECEXIW-XGWQRUHWSA-N 2 2 341.455 3.455 20 0 EGADLP Cc1cccc(C)c1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122512 1384734862 /nfs/dbraw/zinc/73/48/62/1384734862.db2.gz BTKZJMFFTFEZAU-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP Cc1cccc(C)c1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122512 1384734863 /nfs/dbraw/zinc/73/48/63/1384734863.db2.gz BTKZJMFFTFEZAU-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127362 1384736757 /nfs/dbraw/zinc/73/67/57/1384736757.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 3 2 341.543 3.456 20 0 EGADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127362 1384736772 /nfs/dbraw/zinc/73/67/72/1384736772.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127362 1384736773 /nfs/dbraw/zinc/73/67/73/1384736773.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127362 1384736781 /nfs/dbraw/zinc/73/67/81/1384736781.db2.gz IPYOTYDJGJFEHO-KJJMTIBFSA-N 3 2 341.543 3.456 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372337 1384779459 /nfs/dbraw/zinc/77/94/59/1384779459.db2.gz DYLHVCOUQOVWMK-IKGGRYGDSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372337 1384779462 /nfs/dbraw/zinc/77/94/62/1384779462.db2.gz DYLHVCOUQOVWMK-IKGGRYGDSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372337 1384779465 /nfs/dbraw/zinc/77/94/65/1384779465.db2.gz DYLHVCOUQOVWMK-IKGGRYGDSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372337 1384779468 /nfs/dbraw/zinc/77/94/68/1384779468.db2.gz DYLHVCOUQOVWMK-IKGGRYGDSA-N 2 2 333.524 3.149 20 0 EGADLP C[C@@H]1CC[C@@H]([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)C[C@@H]1C ZINC001172381212 1384781894 /nfs/dbraw/zinc/78/18/94/1384781894.db2.gz YMYWWSBNVCFMGC-FGTMMUONSA-N 2 2 343.519 3.024 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452724 1384795496 /nfs/dbraw/zinc/79/54/96/1384795496.db2.gz UXVFOIMKCQFHEM-GVDBMIGSSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452724 1384795500 /nfs/dbraw/zinc/79/55/00/1384795500.db2.gz UXVFOIMKCQFHEM-GVDBMIGSSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172452724 1384795504 /nfs/dbraw/zinc/79/55/04/1384795504.db2.gz UXVFOIMKCQFHEM-GVDBMIGSSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172452724 1384795508 /nfs/dbraw/zinc/79/55/08/1384795508.db2.gz UXVFOIMKCQFHEM-GVDBMIGSSA-N 2 2 337.533 3.243 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722178 1384837879 /nfs/dbraw/zinc/83/78/79/1384837879.db2.gz PWFUVYZZBHNWNW-HXUWFJFHSA-N 2 2 348.918 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722178 1384837881 /nfs/dbraw/zinc/83/78/81/1384837881.db2.gz PWFUVYZZBHNWNW-HXUWFJFHSA-N 2 2 348.918 3.382 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172761322 1384845865 /nfs/dbraw/zinc/84/58/65/1384845865.db2.gz QVHWEHLSLXXPQI-ICSRJNTNSA-N 2 2 346.515 3.403 20 0 EGADLP CO[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001172914914 1384877362 /nfs/dbraw/zinc/87/73/62/1384877362.db2.gz LYFDZFFASPUOGG-SFTDATJTSA-N 2 2 330.516 3.488 20 0 EGADLP CO[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001172914913 1384877533 /nfs/dbraw/zinc/87/75/33/1384877533.db2.gz LYFDZFFASPUOGG-RTWAWAEBSA-N 2 2 330.516 3.488 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(COC)cnc3[C@H]2C)CC1 ZINC001173109517 1384916701 /nfs/dbraw/zinc/91/67/01/1384916701.db2.gz JCFFVAUMDDNMLW-KLAILNCOSA-N 2 2 334.508 3.059 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CCn3c(COC)cnc3[C@H]2C)CC1 ZINC001173109517 1384916705 /nfs/dbraw/zinc/91/67/05/1384916705.db2.gz JCFFVAUMDDNMLW-KLAILNCOSA-N 2 2 334.508 3.059 20 0 EGADLP c1ccc(OC2CCC([NH2+][C@H]3CC[N@@H+](C4CCOCC4)C3)CC2)cc1 ZINC001173197269 1384934107 /nfs/dbraw/zinc/93/41/07/1384934107.db2.gz BHFKJDQKSOQRHC-WBTXTPOCSA-N 2 2 344.499 3.220 20 0 EGADLP c1ccc(OC2CCC([NH2+][C@H]3CC[N@H+](C4CCOCC4)C3)CC2)cc1 ZINC001173197269 1384934110 /nfs/dbraw/zinc/93/41/10/1384934110.db2.gz BHFKJDQKSOQRHC-WBTXTPOCSA-N 2 2 344.499 3.220 20 0 EGADLP CC[NH+](CC)CC[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173671952 1385001240 /nfs/dbraw/zinc/00/12/40/1385001240.db2.gz IIHMRLVSWPTKFM-HUUCEWRRSA-N 2 2 327.513 3.094 20 0 EGADLP CC(=O)Oc1ccc(C2CCC(n3cc[nH+]c3CC[NH3+])CC2)cc1 ZINC001173781964 1385016269 /nfs/dbraw/zinc/01/62/69/1385016269.db2.gz BNNPKSJNVGWAAM-UHFFFAOYSA-N 2 2 327.428 3.209 20 0 EGADLP c1nn(CC[NH+]2CCOCC2)cc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001174490466 1385113238 /nfs/dbraw/zinc/11/32/38/1385113238.db2.gz OUUNCVHHXXAYGN-UHFFFAOYSA-N 2 2 349.438 3.021 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174588576 1385123206 /nfs/dbraw/zinc/12/32/06/1385123206.db2.gz NPDKMBZRLMOHCX-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463099 1385299013 /nfs/dbraw/zinc/29/90/13/1385299013.db2.gz XPRSGIIWRZZIEA-CABCVRRESA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460306 1385299562 /nfs/dbraw/zinc/29/95/62/1385299562.db2.gz GOGKFIAIFXRYRD-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175468523 1385300792 /nfs/dbraw/zinc/30/07/92/1385300792.db2.gz GJPNYNMSJSVMNJ-GJZGRUSLSA-N 2 2 346.450 3.117 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501171 1385313161 /nfs/dbraw/zinc/31/31/61/1385313161.db2.gz BSQIVSFXNRBYCT-ZBKUBXTQSA-N 2 2 334.508 3.455 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175628652 1385356094 /nfs/dbraw/zinc/35/60/94/1385356094.db2.gz GONYEEZGRZMTRD-CSLAMCDYSA-N 2 2 334.508 3.209 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175628652 1385356097 /nfs/dbraw/zinc/35/60/97/1385356097.db2.gz GONYEEZGRZMTRD-CSLAMCDYSA-N 2 2 334.508 3.209 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175630247 1385357156 /nfs/dbraw/zinc/35/71/56/1385357156.db2.gz OUOYTDLEUXIJKU-DLBZAZTESA-N 2 2 346.519 3.353 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175630247 1385357160 /nfs/dbraw/zinc/35/71/60/1385357160.db2.gz OUOYTDLEUXIJKU-DLBZAZTESA-N 2 2 346.519 3.353 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001175639470 1385360257 /nfs/dbraw/zinc/36/02/57/1385360257.db2.gz ZSKZATQWCKFCDG-CVEARBPZSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001175639470 1385360262 /nfs/dbraw/zinc/36/02/62/1385360262.db2.gz ZSKZATQWCKFCDG-CVEARBPZSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175639310 1385360569 /nfs/dbraw/zinc/36/05/69/1385360569.db2.gz YGJMFZGUNLVIGA-IRXDYDNUSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175639310 1385360572 /nfs/dbraw/zinc/36/05/72/1385360572.db2.gz YGJMFZGUNLVIGA-IRXDYDNUSA-N 2 2 348.535 3.433 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3[nH+]c(C)ccc3OC)cc2)CC1 ZINC001175783725 1385404560 /nfs/dbraw/zinc/40/45/60/1385404560.db2.gz QGONTGHQYAFVRU-UHFFFAOYSA-N 2 2 326.444 3.284 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175872890 1385427062 /nfs/dbraw/zinc/42/70/62/1385427062.db2.gz IFKCQHCXJIQJPC-IAGOWNOFSA-N 2 2 342.487 3.286 20 0 EGADLP C[NH+](C)CCCOc1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001176355115 1385561378 /nfs/dbraw/zinc/56/13/78/1385561378.db2.gz LTDSODDDPQCVOU-UHFFFAOYSA-N 2 2 337.427 3.341 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001176829293 1385715184 /nfs/dbraw/zinc/71/51/84/1385715184.db2.gz KNWSUPUAFDIDNE-HZPDHXFCSA-N 2 2 346.450 3.048 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCOc1cccc(C)c1 ZINC001318553408 1385751583 /nfs/dbraw/zinc/75/15/83/1385751583.db2.gz XPGFJORNIVJQRD-UHFFFAOYSA-N 2 2 336.395 3.292 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318592595 1385777234 /nfs/dbraw/zinc/77/72/34/1385777234.db2.gz HLXZVGXSUZBGLP-MLGOLLRUSA-N 2 2 348.878 3.160 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001318686944 1385839608 /nfs/dbraw/zinc/83/96/08/1385839608.db2.gz SBRJFOCECYQXAP-VLIAUNLRSA-N 2 2 342.487 3.177 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]ccc1OC ZINC001177348223 1385922997 /nfs/dbraw/zinc/92/29/97/1385922997.db2.gz DKTNJJZWGFXFFW-UHFFFAOYSA-N 2 2 347.503 3.041 20 0 EGADLP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448686 1385960641 /nfs/dbraw/zinc/96/06/41/1385960641.db2.gz RSFKGKCXQIXEMP-ONEGZZNKSA-N 2 2 346.519 3.307 20 0 EGADLP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466917 1385966814 /nfs/dbraw/zinc/96/68/14/1385966814.db2.gz KSDSQTIUDZEWDV-UHFFFAOYSA-N 2 2 348.535 3.151 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCC[NH2+]CC(C)C)ccn12 ZINC001178484692 1386231490 /nfs/dbraw/zinc/23/14/90/1386231490.db2.gz YHWOZOGJCIJXPR-UHFFFAOYSA-N 2 2 330.476 3.179 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319707401 1386261260 /nfs/dbraw/zinc/26/12/60/1386261260.db2.gz PYEQFEBLHGWTFT-AWEZNQCLSA-N 2 2 347.894 3.416 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319707401 1386261264 /nfs/dbraw/zinc/26/12/64/1386261264.db2.gz PYEQFEBLHGWTFT-AWEZNQCLSA-N 2 2 347.894 3.416 20 0 EGADLP O=C(NCCCCCC[NH2+]CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752653 1386294314 /nfs/dbraw/zinc/29/43/14/1386294314.db2.gz XIQFECGZRLITFZ-QZTJIDSGSA-N 2 2 346.519 3.360 20 0 EGADLP O=C(NCCCCCC[NH2+]CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752653 1386294318 /nfs/dbraw/zinc/29/43/18/1386294318.db2.gz XIQFECGZRLITFZ-QZTJIDSGSA-N 2 2 346.519 3.360 20 0 EGADLP CC1CC(C[NH2+]CCCCCCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001179010295 1386376164 /nfs/dbraw/zinc/37/61/64/1386376164.db2.gz YIXYJNJULYWVCF-UHFFFAOYSA-N 2 2 342.487 3.260 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001179179731 1386418802 /nfs/dbraw/zinc/41/88/02/1386418802.db2.gz HCHKOXJQFRRCCV-GOSISDBHSA-N 2 2 342.487 3.301 20 0 EGADLP C[C@@](C[NH2+]CC1CCC(C)(C)CC1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001698652407 1406302487 /nfs/dbraw/zinc/30/24/87/1406302487.db2.gz PCZADSDPOHTIRH-FQEVSTJZSA-N 2 2 346.519 3.043 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001179690076 1386554870 /nfs/dbraw/zinc/55/48/70/1386554870.db2.gz ZECMPXOADFNUAD-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320379997 1386593256 /nfs/dbraw/zinc/59/32/56/1386593256.db2.gz ITGWHWXZXGQPOE-LLVKDONJSA-N 2 2 338.415 3.048 20 0 EGADLP CC[NH2+]C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC[C@@H]1C ZINC001698658123 1406308807 /nfs/dbraw/zinc/30/88/07/1406308807.db2.gz CAUIRIIVBCWCRH-JXFKEZNVSA-N 2 2 340.471 3.161 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180178935 1386722791 /nfs/dbraw/zinc/72/27/91/1386722791.db2.gz LHQDVGPKBGUBBF-UHFFFAOYSA-N 2 2 336.524 3.055 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(NCC2CC2)nc1 ZINC001321230878 1386849192 /nfs/dbraw/zinc/84/91/92/1386849192.db2.gz GCDIHDRORMFBRX-UHFFFAOYSA-N 2 2 348.410 3.045 20 0 EGADLP CC[NH+](CC)CC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001337344865 1389312225 /nfs/dbraw/zinc/31/22/25/1389312225.db2.gz TTZSOQWETJCVIA-OAHLLOKOSA-N 2 2 338.459 3.348 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC001330883059 1389553635 /nfs/dbraw/zinc/55/36/35/1389553635.db2.gz NBMMOJCHXOXGRA-FUHWJXTLSA-N 2 2 346.519 3.073 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001332219128 1390049808 /nfs/dbraw/zinc/04/98/08/1390049808.db2.gz MXKCEUBAZMCKFA-CVEARBPZSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001332219128 1390049812 /nfs/dbraw/zinc/04/98/12/1390049812.db2.gz MXKCEUBAZMCKFA-CVEARBPZSA-N 2 2 334.508 3.056 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC001332276207 1390073698 /nfs/dbraw/zinc/07/36/98/1390073698.db2.gz YLEBHMHKUDJYTO-NHCUHLMSSA-N 2 2 343.515 3.271 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC001332276207 1390073704 /nfs/dbraw/zinc/07/37/04/1390073704.db2.gz YLEBHMHKUDJYTO-NHCUHLMSSA-N 2 2 343.515 3.271 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)n2)c1 ZINC001333658100 1390367479 /nfs/dbraw/zinc/36/74/79/1390367479.db2.gz MKRDKIWOAHURHD-AWEZNQCLSA-N 2 2 343.496 3.393 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)n2)c1 ZINC001333658100 1390367481 /nfs/dbraw/zinc/36/74/81/1390367481.db2.gz MKRDKIWOAHURHD-AWEZNQCLSA-N 2 2 343.496 3.393 20 0 EGADLP Cn1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC001334900598 1390616374 /nfs/dbraw/zinc/61/63/74/1390616374.db2.gz ADFARUKUHYIBQP-UHFFFAOYSA-N 2 2 338.499 3.394 20 0 EGADLP Cn1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C1CC1 ZINC001334900598 1390616376 /nfs/dbraw/zinc/61/63/76/1390616376.db2.gz ADFARUKUHYIBQP-UHFFFAOYSA-N 2 2 338.499 3.394 20 0 EGADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccsc3Cl)c2)CC1 ZINC001343561027 1390722849 /nfs/dbraw/zinc/72/28/49/1390722849.db2.gz PNTDAHDQFKQNOI-UHFFFAOYSA-N 2 2 349.931 3.439 20 0 EGADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001486485065 1391012169 /nfs/dbraw/zinc/01/21/69/1391012169.db2.gz ZAZXJLAYLMHYDY-IPJUCJBFSA-N 2 2 340.471 3.004 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479835515 1392421132 /nfs/dbraw/zinc/42/11/32/1392421132.db2.gz WOHNVNLHCHKBAF-CRAIPNDOSA-N 2 2 334.508 3.056 20 0 EGADLP C[C@H]([NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1)c1ccccc1 ZINC001480029041 1392541276 /nfs/dbraw/zinc/54/12/76/1392541276.db2.gz RSTFKEUXBANDCX-XOBRGWDASA-N 2 2 348.450 3.422 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3(C[NH2+]CC4CCC4)CCCC3)ccn12 ZINC001481897104 1394584861 /nfs/dbraw/zinc/58/48/61/1394584861.db2.gz OAHWLVUDFWYRCW-UHFFFAOYSA-N 2 2 340.471 3.075 20 0 EGADLP CC(C)[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001481960824 1394621546 /nfs/dbraw/zinc/62/15/46/1394621546.db2.gz HROHRXZZMJKRCA-BEFAXECRSA-N 2 2 328.460 3.011 20 0 EGADLP C[C@@H](CC(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001484143668 1395279749 /nfs/dbraw/zinc/27/97/49/1395279749.db2.gz VTMVKPWSFPXDPC-ADKAHSJRSA-N 2 2 346.519 3.099 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)CCc1c[nH+]cn1C ZINC001485265939 1395750069 /nfs/dbraw/zinc/75/00/69/1395750069.db2.gz DJTFCYJOIPIOSM-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001494082859 1396357401 /nfs/dbraw/zinc/35/74/01/1396357401.db2.gz JZXSEPNHZPXXKV-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001494082859 1396357403 /nfs/dbraw/zinc/35/74/03/1396357403.db2.gz JZXSEPNHZPXXKV-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001687428608 1396369820 /nfs/dbraw/zinc/36/98/20/1396369820.db2.gz HTGWVNZHDXWBKT-SFHVURJKSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001690777778 1404726519 /nfs/dbraw/zinc/72/65/19/1404726519.db2.gz RHLXKUKNFLISQB-AUPUMLSVSA-N 2 2 335.879 3.390 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001732309962 1428523505 /nfs/dbraw/zinc/52/35/05/1428523505.db2.gz FFDYKGOMZOQERG-BRWVUGGUSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001732309962 1428523506 /nfs/dbraw/zinc/52/35/06/1428523506.db2.gz FFDYKGOMZOQERG-BRWVUGGUSA-N 2 2 334.508 3.042 20 0 EGADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001732357184 1428546586 /nfs/dbraw/zinc/54/65/86/1428546586.db2.gz YKBREJRLUALPJB-LSDHHAIUSA-N 2 2 348.878 3.030 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001732366049 1428550274 /nfs/dbraw/zinc/55/02/74/1428550274.db2.gz AEWRMOMAJRZDSL-OLZOCXBDSA-N 2 2 348.878 3.017 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001699863499 1413298767 /nfs/dbraw/zinc/29/87/67/1413298767.db2.gz XJTAAYHYRTZNRS-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001732607583 1428864388 /nfs/dbraw/zinc/86/43/88/1428864388.db2.gz KWMSESMKSDXYOQ-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001732607583 1428864396 /nfs/dbraw/zinc/86/43/96/1428864396.db2.gz KWMSESMKSDXYOQ-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001732731224 1428932857 /nfs/dbraw/zinc/93/28/57/1428932857.db2.gz DXDXQISGVNUXRP-SUMWQHHRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733005249 1429126211 /nfs/dbraw/zinc/12/62/11/1429126211.db2.gz LBBKQEKLMZBNLV-MAUKXSAKSA-N 2 2 348.450 3.120 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001712999994 1417553222 /nfs/dbraw/zinc/55/32/22/1417553222.db2.gz PZRJFDNVEBVUMV-FUHWJXTLSA-N 2 2 348.535 3.148 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001715532157 1420222792 /nfs/dbraw/zinc/22/27/92/1420222792.db2.gz HHBUOBAASDBHDQ-IEBWSBKVSA-N 2 2 342.487 3.376 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001715532157 1420222795 /nfs/dbraw/zinc/22/27/95/1420222795.db2.gz HHBUOBAASDBHDQ-IEBWSBKVSA-N 2 2 342.487 3.376 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1Cl)NC(=O)CCCn1cc[nH+]c1 ZINC001715963700 1420429631 /nfs/dbraw/zinc/42/96/31/1420429631.db2.gz AGHKQRQFOWGXMK-HUUCEWRRSA-N 2 2 348.878 3.172 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001716636175 1420794008 /nfs/dbraw/zinc/79/40/08/1420794008.db2.gz IGVAKTRDMQERCW-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001717478231 1421412088 /nfs/dbraw/zinc/41/20/88/1421412088.db2.gz OJRGPFWZRWPUDD-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001717478231 1421412089 /nfs/dbraw/zinc/41/20/89/1421412089.db2.gz OJRGPFWZRWPUDD-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001717731005 1421596924 /nfs/dbraw/zinc/59/69/24/1421596924.db2.gz HQHUKRIUCJKUGZ-IBGZPJMESA-N 2 2 346.519 3.139 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001717731005 1421596929 /nfs/dbraw/zinc/59/69/29/1421596929.db2.gz HQHUKRIUCJKUGZ-IBGZPJMESA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CC3CCC3)C(C)(C)C)ccn12 ZINC001717958442 1421730006 /nfs/dbraw/zinc/73/00/06/1421730006.db2.gz FMYLEGPSFNEUFT-KRWDZBQOSA-N 2 2 342.487 3.177 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733361267 1429545370 /nfs/dbraw/zinc/54/53/70/1429545370.db2.gz QZZIOXUXKCAPNM-IAGOWNOFSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733361267 1429545372 /nfs/dbraw/zinc/54/53/72/1429545372.db2.gz QZZIOXUXKCAPNM-IAGOWNOFSA-N 2 2 348.535 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733880182 1437706887 /nfs/dbraw/zinc/70/68/87/1437706887.db2.gz YUJCGCPEFRLPBC-YJBOKZPZSA-N 2 2 348.535 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001733880182 1437706888 /nfs/dbraw/zinc/70/68/88/1437706888.db2.gz YUJCGCPEFRLPBC-YJBOKZPZSA-N 2 2 348.535 3.160 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001733929581 1437742727 /nfs/dbraw/zinc/74/27/27/1437742727.db2.gz QCPAGGMSZCDAIK-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001733929581 1437742728 /nfs/dbraw/zinc/74/27/28/1437742728.db2.gz QCPAGGMSZCDAIK-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001733929581 1437742729 /nfs/dbraw/zinc/74/27/29/1437742729.db2.gz QCPAGGMSZCDAIK-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001733929581 1437742730 /nfs/dbraw/zinc/74/27/30/1437742730.db2.gz QCPAGGMSZCDAIK-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001734328180 1438052473 /nfs/dbraw/zinc/05/24/73/1438052473.db2.gz ILVLFGKROHSMDA-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001734328180 1438052478 /nfs/dbraw/zinc/05/24/78/1438052478.db2.gz ILVLFGKROHSMDA-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cccc(Cl)c1C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001752906629 1440244335 /nfs/dbraw/zinc/24/43/35/1440244335.db2.gz NNMBNKNKGFKMKJ-GJZGRUSLSA-N 2 2 348.878 3.091 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(C)c1 ZINC001753091032 1440299028 /nfs/dbraw/zinc/29/90/28/1440299028.db2.gz GNSQZJJUDODLKL-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(C)c1 ZINC001753091032 1440299029 /nfs/dbraw/zinc/29/90/29/1440299029.db2.gz GNSQZJJUDODLKL-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1cccc(C)c1 ZINC001753091032 1440299030 /nfs/dbraw/zinc/29/90/30/1440299030.db2.gz GNSQZJJUDODLKL-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1cccc(C)c1 ZINC001753091032 1440299031 /nfs/dbraw/zinc/29/90/31/1440299031.db2.gz GNSQZJJUDODLKL-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753119954 1440313150 /nfs/dbraw/zinc/31/31/50/1440313150.db2.gz QVNSJHIAPISHAD-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753119954 1440313151 /nfs/dbraw/zinc/31/31/51/1440313151.db2.gz QVNSJHIAPISHAD-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC001753290215 1440350082 /nfs/dbraw/zinc/35/00/82/1440350082.db2.gz OAFNGOWANLXXHD-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC001753290215 1440350083 /nfs/dbraw/zinc/35/00/83/1440350083.db2.gz OAFNGOWANLXXHD-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001753330694 1440369181 /nfs/dbraw/zinc/36/91/81/1440369181.db2.gz MGDRNGRCJBOCRI-KRWDZBQOSA-N 2 2 348.450 3.205 20 0 EGADLP O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001753330694 1440369182 /nfs/dbraw/zinc/36/91/82/1440369182.db2.gz MGDRNGRCJBOCRI-KRWDZBQOSA-N 2 2 348.450 3.205 20 0 EGADLP CC(C)CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001753594765 1440444176 /nfs/dbraw/zinc/44/41/76/1440444176.db2.gz KBWZPWXRWFXLHO-QZTJIDSGSA-N 2 2 346.519 3.168 20 0 EGADLP CC(C)CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001753594765 1440444177 /nfs/dbraw/zinc/44/41/77/1440444177.db2.gz KBWZPWXRWFXLHO-QZTJIDSGSA-N 2 2 346.519 3.168 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCC1 ZINC001753665418 1440460060 /nfs/dbraw/zinc/46/00/60/1440460060.db2.gz XGPZPUXBUNRMSN-BRWVUGGUSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCC1 ZINC001753665418 1440460061 /nfs/dbraw/zinc/46/00/61/1440460061.db2.gz XGPZPUXBUNRMSN-BRWVUGGUSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753702206 1440468761 /nfs/dbraw/zinc/46/87/61/1440468761.db2.gz WADTXVZBUSUBIR-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP Cc1cccn2cc(CC(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)[nH+]c12 ZINC001753719095 1440472592 /nfs/dbraw/zinc/47/25/92/1440472592.db2.gz XBXHJUXLVFNKLC-INIZCTEOSA-N 2 2 344.503 3.058 20 0 EGADLP C[C@@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001753728952 1440475214 /nfs/dbraw/zinc/47/52/14/1440475214.db2.gz YOJJESQWZWRKNM-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](C[NH2+]CC1CCCCCC1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001753728953 1440475235 /nfs/dbraw/zinc/47/52/35/1440475235.db2.gz YOJJESQWZWRKNM-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CCCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001753808464 1440492196 /nfs/dbraw/zinc/49/21/96/1440492196.db2.gz WEJPKXORXVSNRL-SJLPKXTDSA-N 2 2 347.503 3.040 20 0 EGADLP CCCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001753808465 1440492222 /nfs/dbraw/zinc/49/22/22/1440492222.db2.gz WEJPKXORXVSNRL-WMZOPIPTSA-N 2 2 347.503 3.040 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001754048767 1440535498 /nfs/dbraw/zinc/53/54/98/1440535498.db2.gz ZJTQZYAQNPBBOT-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001754048767 1440535499 /nfs/dbraw/zinc/53/54/99/1440535499.db2.gz ZJTQZYAQNPBBOT-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754225050 1440553161 /nfs/dbraw/zinc/55/31/61/1440553161.db2.gz IBCJMHOFIUELTF-IDTUSYRASA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001754520520 1440619638 /nfs/dbraw/zinc/61/96/38/1440619638.db2.gz UYADIXYZEGHSSU-UHFFFAOYSA-N 2 2 328.460 3.013 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754544055 1440626832 /nfs/dbraw/zinc/62/68/32/1440626832.db2.gz JSKAJBGHLLGIQG-KSULIHCOSA-N 2 2 344.503 3.256 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754544055 1440626833 /nfs/dbraw/zinc/62/68/33/1440626833.db2.gz JSKAJBGHLLGIQG-KSULIHCOSA-N 2 2 344.503 3.256 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001754630481 1440647595 /nfs/dbraw/zinc/64/75/95/1440647595.db2.gz ZAOJGJJXISQXDS-ZWKOTPCHSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673508 1440658975 /nfs/dbraw/zinc/65/89/75/1440658975.db2.gz BLBCSVMWUBHOGC-ICSRJNTNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673508 1440658976 /nfs/dbraw/zinc/65/89/76/1440658976.db2.gz BLBCSVMWUBHOGC-ICSRJNTNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673508 1440658977 /nfs/dbraw/zinc/65/89/77/1440658977.db2.gz BLBCSVMWUBHOGC-ICSRJNTNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673508 1440658978 /nfs/dbraw/zinc/65/89/78/1440658978.db2.gz BLBCSVMWUBHOGC-ICSRJNTNSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1)n1cc[nH+]c1 ZINC001754698145 1440667421 /nfs/dbraw/zinc/66/74/21/1440667421.db2.gz JMJHUPGFCIFSMZ-QUCCMNQESA-N 2 2 346.519 3.099 20 0 EGADLP CC[C@@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754700253 1440667917 /nfs/dbraw/zinc/66/79/17/1440667917.db2.gz CRKRFOFWEIZQQL-APWZRJJASA-N 2 2 335.467 3.197 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001754709251 1440669801 /nfs/dbraw/zinc/66/98/01/1440669801.db2.gz YOKJCGFVOCSKOW-HKUYNNGSSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@H](CC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001755045890 1440740767 /nfs/dbraw/zinc/74/07/67/1440740767.db2.gz MFZBRXGHJAVISK-MSOLQXFVSA-N 2 2 342.487 3.376 20 0 EGADLP C[C@H](CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001755045890 1440740768 /nfs/dbraw/zinc/74/07/68/1440740768.db2.gz MFZBRXGHJAVISK-MSOLQXFVSA-N 2 2 342.487 3.376 20 0 EGADLP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755130067 1440756945 /nfs/dbraw/zinc/75/69/45/1440756945.db2.gz DCRCXXULKRHYQP-ROUUACIJSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)(C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1)c1c[nH+]c[nH]1 ZINC001755135274 1440758012 /nfs/dbraw/zinc/75/80/12/1440758012.db2.gz JGNXTUAAUJSVIY-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001755282275 1440800939 /nfs/dbraw/zinc/80/09/39/1440800939.db2.gz LIGYGPRUFBJHFU-HUUCEWRRSA-N 2 2 334.508 3.024 20 0 EGADLP CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001755282275 1440800940 /nfs/dbraw/zinc/80/09/40/1440800940.db2.gz LIGYGPRUFBJHFU-HUUCEWRRSA-N 2 2 334.508 3.024 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001755354251 1440828871 /nfs/dbraw/zinc/82/88/71/1440828871.db2.gz GRIPZHGSFQHQOE-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001755354251 1440828872 /nfs/dbraw/zinc/82/88/72/1440828872.db2.gz GRIPZHGSFQHQOE-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364814 1440833755 /nfs/dbraw/zinc/83/37/55/1440833755.db2.gz YWISCZLDXDSZAO-DDKKJVIOSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364814 1440833756 /nfs/dbraw/zinc/83/37/56/1440833756.db2.gz YWISCZLDXDSZAO-DDKKJVIOSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364814 1440833757 /nfs/dbraw/zinc/83/37/57/1440833757.db2.gz YWISCZLDXDSZAO-DDKKJVIOSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364814 1440833758 /nfs/dbraw/zinc/83/37/58/1440833758.db2.gz YWISCZLDXDSZAO-DDKKJVIOSA-N 2 2 332.492 3.059 20 0 EGADLP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001755382457 1440839696 /nfs/dbraw/zinc/83/96/96/1440839696.db2.gz OMJLZEFLNGKDPJ-KJPDOMRESA-N 2 2 340.471 3.131 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755535590 1440869272 /nfs/dbraw/zinc/86/92/72/1440869272.db2.gz MTRVQZSUVJEAGA-MRXNPFEDSA-N 2 2 348.535 3.292 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755535590 1440869273 /nfs/dbraw/zinc/86/92/73/1440869273.db2.gz MTRVQZSUVJEAGA-MRXNPFEDSA-N 2 2 348.535 3.292 20 0 EGADLP C[C@@H](CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)n1cc[nH+]c1 ZINC001755833978 1440929581 /nfs/dbraw/zinc/92/95/81/1440929581.db2.gz TWBPHGUDIBYKEQ-FUHWJXTLSA-N 2 2 346.519 3.455 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112077 529720839 /nfs/dbraw/zinc/72/08/39/529720839.db2.gz DELZQMLDNXQAPK-DLBZAZTESA-N 2 2 342.487 3.033 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112077 529720840 /nfs/dbraw/zinc/72/08/40/529720840.db2.gz DELZQMLDNXQAPK-DLBZAZTESA-N 2 2 342.487 3.033 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccc(OC(F)(F)F)c1 ZINC000181074930 529898976 /nfs/dbraw/zinc/89/89/76/529898976.db2.gz QQPIREWLPIPGRA-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccc(OC(F)(F)F)c1 ZINC000181074930 529898977 /nfs/dbraw/zinc/89/89/77/529898977.db2.gz QQPIREWLPIPGRA-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158550908 530064803 /nfs/dbraw/zinc/06/48/03/530064803.db2.gz SIRHQDLMMATLOB-YOEHRIQHSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158550908 530064804 /nfs/dbraw/zinc/06/48/04/530064804.db2.gz SIRHQDLMMATLOB-YOEHRIQHSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158550908 530064805 /nfs/dbraw/zinc/06/48/05/530064805.db2.gz SIRHQDLMMATLOB-YOEHRIQHSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158550908 530064806 /nfs/dbraw/zinc/06/48/06/530064806.db2.gz SIRHQDLMMATLOB-YOEHRIQHSA-N 2 2 329.419 3.397 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462502 232174472 /nfs/dbraw/zinc/17/44/72/232174472.db2.gz NWLJETDNLJTXKN-CRAIPNDOSA-N 2 2 328.460 3.179 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462502 232174476 /nfs/dbraw/zinc/17/44/76/232174476.db2.gz NWLJETDNLJTXKN-CRAIPNDOSA-N 2 2 328.460 3.179 20 0 EGADLP COCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000129076704 223018063 /nfs/dbraw/zinc/01/80/63/223018063.db2.gz FGMJFYHPWSLTIG-JXFKEZNVSA-N 2 2 328.456 3.426 20 0 EGADLP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000129076704 223018064 /nfs/dbraw/zinc/01/80/64/223018064.db2.gz FGMJFYHPWSLTIG-JXFKEZNVSA-N 2 2 328.456 3.426 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129857743 223098340 /nfs/dbraw/zinc/09/83/40/223098340.db2.gz IFJGYOACTYKONB-VDZJLULYSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129857743 223098342 /nfs/dbraw/zinc/09/83/42/223098342.db2.gz IFJGYOACTYKONB-VDZJLULYSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129858643 223098648 /nfs/dbraw/zinc/09/86/48/223098648.db2.gz OWTFSYKTVVYMNX-VDZJLULYSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129858643 223098651 /nfs/dbraw/zinc/09/86/51/223098651.db2.gz OWTFSYKTVVYMNX-VDZJLULYSA-N 2 2 340.471 3.410 20 0 EGADLP CN(C)c1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000677749322 549326161 /nfs/dbraw/zinc/32/61/61/549326161.db2.gz XOXOZIQGQCHZBB-LJQANCHMSA-N 2 2 338.499 3.290 20 0 EGADLP CN(C)c1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000677749322 549326165 /nfs/dbraw/zinc/32/61/65/549326165.db2.gz XOXOZIQGQCHZBB-LJQANCHMSA-N 2 2 338.499 3.290 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193945900 240375104 /nfs/dbraw/zinc/37/51/04/240375104.db2.gz KPGFQPPSZDMZKC-AYOQOUSVSA-N 2 2 325.456 3.282 20 0 EGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)[nH]c2c1 ZINC000193996924 240392644 /nfs/dbraw/zinc/39/26/44/240392644.db2.gz SEGLAUHYNZPLEY-NIKGAXFTSA-N 2 2 325.456 3.433 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246021391 243184039 /nfs/dbraw/zinc/18/40/39/243184039.db2.gz VLFKZDZKEDDZQJ-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246021391 243184042 /nfs/dbraw/zinc/18/40/42/243184042.db2.gz VLFKZDZKEDDZQJ-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000078969140 217160387 /nfs/dbraw/zinc/16/03/87/217160387.db2.gz FAXINTLAZKMMHE-UHFFFAOYSA-N 2 2 327.447 3.360 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000078969140 217160390 /nfs/dbraw/zinc/16/03/90/217160390.db2.gz FAXINTLAZKMMHE-UHFFFAOYSA-N 2 2 327.447 3.360 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000266164086 248142587 /nfs/dbraw/zinc/14/25/87/248142587.db2.gz PPVGMRCOAYFWKH-LLVKDONJSA-N 2 2 344.286 3.394 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1C ZINC000377262915 169004056 /nfs/dbraw/zinc/00/40/56/169004056.db2.gz SVCVKLNWYDDWKM-HNNXBMFYSA-N 2 2 346.500 3.225 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1C ZINC000377262915 169004057 /nfs/dbraw/zinc/00/40/57/169004057.db2.gz SVCVKLNWYDDWKM-HNNXBMFYSA-N 2 2 346.500 3.225 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000377540472 169038612 /nfs/dbraw/zinc/03/86/12/169038612.db2.gz JRCCXTLKKXAGBJ-OWCLPIDISA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000377540472 169038614 /nfs/dbraw/zinc/03/86/14/169038614.db2.gz JRCCXTLKKXAGBJ-OWCLPIDISA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540472 169038617 /nfs/dbraw/zinc/03/86/17/169038617.db2.gz JRCCXTLKKXAGBJ-OWCLPIDISA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540472 169038618 /nfs/dbraw/zinc/03/86/18/169038618.db2.gz JRCCXTLKKXAGBJ-OWCLPIDISA-N 2 2 337.533 3.283 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc3c(c1)OCCO3)CCC2 ZINC000378186751 169082719 /nfs/dbraw/zinc/08/27/19/169082719.db2.gz YPUZIYBBRUEHPN-GOEBONIOSA-N 2 2 327.428 3.191 20 0 EGADLP C[N@H+]1Cc2ccccc2[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378276429 169095206 /nfs/dbraw/zinc/09/52/06/169095206.db2.gz ZBAXHFBHMMRJSS-JOCHJYFZSA-N 2 2 335.495 3.427 20 0 EGADLP C[N@@H+]1Cc2ccccc2[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378276429 169095207 /nfs/dbraw/zinc/09/52/07/169095207.db2.gz ZBAXHFBHMMRJSS-JOCHJYFZSA-N 2 2 335.495 3.427 20 0 EGADLP CN1Cc2ccccc2[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378276429 169095208 /nfs/dbraw/zinc/09/52/08/169095208.db2.gz ZBAXHFBHMMRJSS-JOCHJYFZSA-N 2 2 335.495 3.427 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000091580377 218024504 /nfs/dbraw/zinc/02/45/04/218024504.db2.gz HNCWMHTUCDEOHO-HOTGVXAUSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000091580377 218024506 /nfs/dbraw/zinc/02/45/06/218024506.db2.gz HNCWMHTUCDEOHO-HOTGVXAUSA-N 2 2 334.460 3.386 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1N(C)C ZINC000093942614 218258202 /nfs/dbraw/zinc/25/82/02/218258202.db2.gz JBCFQNNQJMJQAB-KRWDZBQOSA-N 2 2 338.499 3.463 20 0 EGADLP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000094341386 218268133 /nfs/dbraw/zinc/26/81/33/218268133.db2.gz FXVGWLDGDZBJOH-MFKMUULPSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000094341386 218268136 /nfs/dbraw/zinc/26/81/36/218268136.db2.gz FXVGWLDGDZBJOH-MFKMUULPSA-N 2 2 347.684 3.150 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267456587 251073807 /nfs/dbraw/zinc/07/38/07/251073807.db2.gz SYIGSSAWSWOXCL-INIZCTEOSA-N 2 2 326.444 3.351 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267456587 251073811 /nfs/dbraw/zinc/07/38/11/251073811.db2.gz SYIGSSAWSWOXCL-INIZCTEOSA-N 2 2 326.444 3.351 20 0 EGADLP Cc1cccc(C(=O)N2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000268640834 252092916 /nfs/dbraw/zinc/09/29/16/252092916.db2.gz MSGCHOASNDUXBE-FQEVSTJZSA-N 2 2 343.515 3.017 20 0 EGADLP Cc1cccc(C(=O)N2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000268640834 252092920 /nfs/dbraw/zinc/09/29/20/252092920.db2.gz MSGCHOASNDUXBE-FQEVSTJZSA-N 2 2 343.515 3.017 20 0 EGADLP Cc1cccc(C(=O)N2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)c1 ZINC000268640834 252092923 /nfs/dbraw/zinc/09/29/23/252092923.db2.gz MSGCHOASNDUXBE-FQEVSTJZSA-N 2 2 343.515 3.017 20 0 EGADLP Cc1cccc(C(=O)N2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)c1 ZINC000268640834 252092927 /nfs/dbraw/zinc/09/29/27/252092927.db2.gz MSGCHOASNDUXBE-FQEVSTJZSA-N 2 2 343.515 3.017 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000268690594 252143583 /nfs/dbraw/zinc/14/35/83/252143583.db2.gz ZWOQYIRMYHAKLG-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CCn2cc[nH+]c2)c1 ZINC000268690594 252143586 /nfs/dbraw/zinc/14/35/86/252143586.db2.gz ZWOQYIRMYHAKLG-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815490 252267724 /nfs/dbraw/zinc/26/77/24/252267724.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815490 252267728 /nfs/dbraw/zinc/26/77/28/252267728.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815490 252267731 /nfs/dbraw/zinc/26/77/31/252267731.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815490 252267733 /nfs/dbraw/zinc/26/77/33/252267733.db2.gz MDVSGSIKKKMMGU-MISYRCLQSA-N 3 2 327.516 3.113 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268814887 252265175 /nfs/dbraw/zinc/26/51/75/252265175.db2.gz FTOLJAALZCOGPW-WMLDXEAASA-N 2 2 345.512 3.226 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000268829816 252278566 /nfs/dbraw/zinc/27/85/66/252278566.db2.gz SAIQJEYHCOITHD-MRXNPFEDSA-N 3 2 330.501 3.006 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830099 252278954 /nfs/dbraw/zinc/27/89/54/252278954.db2.gz KEJDPZMSYHFCGI-MDZRGWNJSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830099 252278957 /nfs/dbraw/zinc/27/89/57/252278957.db2.gz KEJDPZMSYHFCGI-MDZRGWNJSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268863862 252314034 /nfs/dbraw/zinc/31/40/34/252314034.db2.gz SGDQJGRIGAYOSM-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268863862 252314036 /nfs/dbraw/zinc/31/40/36/252314036.db2.gz SGDQJGRIGAYOSM-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP Brc1csc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000172649938 532981082 /nfs/dbraw/zinc/98/10/82/532981082.db2.gz UHOBCPNVPMXNHR-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1csc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000172649938 532981084 /nfs/dbraw/zinc/98/10/84/532981084.db2.gz UHOBCPNVPMXNHR-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187287844 533184845 /nfs/dbraw/zinc/18/48/45/533184845.db2.gz JOHIRUGUXAZJDB-BEFAXECRSA-N 2 2 337.467 3.472 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000187287844 533184846 /nfs/dbraw/zinc/18/48/46/533184846.db2.gz JOHIRUGUXAZJDB-BEFAXECRSA-N 2 2 337.467 3.472 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000246703321 141026201 /nfs/dbraw/zinc/02/62/01/141026201.db2.gz XJEPXUXMDMXBNE-ARFHVFGLSA-N 2 2 347.463 3.083 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000246703321 141026204 /nfs/dbraw/zinc/02/62/04/141026204.db2.gz XJEPXUXMDMXBNE-ARFHVFGLSA-N 2 2 347.463 3.083 20 0 EGADLP Clc1cccc2c1CC[C@H]2[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246754876 141031972 /nfs/dbraw/zinc/03/19/72/141031972.db2.gz QKTVJEIKBXEXRT-HNAYVOBHSA-N 2 2 334.891 3.372 20 0 EGADLP Clc1cccc2c1CC[C@H]2[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246754876 141031974 /nfs/dbraw/zinc/03/19/74/141031974.db2.gz QKTVJEIKBXEXRT-HNAYVOBHSA-N 2 2 334.891 3.372 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000342797617 141149564 /nfs/dbraw/zinc/14/95/64/141149564.db2.gz GUQBLWPOQKTXPA-ZIFCJYIRSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000342797617 141149565 /nfs/dbraw/zinc/14/95/65/141149565.db2.gz GUQBLWPOQKTXPA-ZIFCJYIRSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346467122 141200886 /nfs/dbraw/zinc/20/08/86/141200886.db2.gz IVSDXAFFJMXHOS-WMLDXEAASA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346467122 141200889 /nfs/dbraw/zinc/20/08/89/141200889.db2.gz IVSDXAFFJMXHOS-WMLDXEAASA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccncc1CCC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000347949774 141223924 /nfs/dbraw/zinc/22/39/24/141223924.db2.gz VXLOPRLYHUMTFC-UHFFFAOYSA-N 2 2 334.467 3.400 20 0 EGADLP C[C@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971598 141226196 /nfs/dbraw/zinc/22/61/96/141226196.db2.gz XYUFCUMNRNHOHF-IHPCNDPISA-N 2 2 341.499 3.383 20 0 EGADLP C[C@H](NC[C@@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971598 141226197 /nfs/dbraw/zinc/22/61/97/141226197.db2.gz XYUFCUMNRNHOHF-IHPCNDPISA-N 2 2 341.499 3.383 20 0 EGADLP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000348170730 141243286 /nfs/dbraw/zinc/24/32/86/141243286.db2.gz BSQBSIZFXWHCCN-QGZVFWFLSA-N 2 2 344.528 3.363 20 0 EGADLP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000348170730 141243287 /nfs/dbraw/zinc/24/32/87/141243287.db2.gz BSQBSIZFXWHCCN-QGZVFWFLSA-N 2 2 344.528 3.363 20 0 EGADLP CCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cn1 ZINC000348170730 141243292 /nfs/dbraw/zinc/24/32/92/141243292.db2.gz BSQBSIZFXWHCCN-QGZVFWFLSA-N 2 2 344.528 3.363 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935512 141272316 /nfs/dbraw/zinc/27/23/16/141272316.db2.gz ZJCQPXIIAYTWJJ-RDTXWAMCSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935512 141272318 /nfs/dbraw/zinc/27/23/18/141272318.db2.gz ZJCQPXIIAYTWJJ-RDTXWAMCSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935512 141272321 /nfs/dbraw/zinc/27/23/21/141272321.db2.gz ZJCQPXIIAYTWJJ-RDTXWAMCSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(-c2ccccc2Cl)n1 ZINC000352935512 141272323 /nfs/dbraw/zinc/27/23/23/141272323.db2.gz ZJCQPXIIAYTWJJ-RDTXWAMCSA-N 2 2 344.890 3.267 20 0 EGADLP C[N@H+](Cc1cc(-c2ccccc2)cs1)C1CC[NH+](CCO)CC1 ZINC000353359599 141294477 /nfs/dbraw/zinc/29/44/77/141294477.db2.gz BILUQXIAKVYVRG-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[N@@H+](Cc1cc(-c2ccccc2)cs1)C1CC[NH+](CCO)CC1 ZINC000353359599 141294479 /nfs/dbraw/zinc/29/44/79/141294479.db2.gz BILUQXIAKVYVRG-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000353456363 141300788 /nfs/dbraw/zinc/30/07/88/141300788.db2.gz VRVNOYOOHAKQFO-KRWDZBQOSA-N 2 2 325.456 3.073 20 0 EGADLP CCc1nocc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000353474748 141305230 /nfs/dbraw/zinc/30/52/30/141305230.db2.gz VLHHIFAHVXBXAI-HXUWFJFHSA-N 2 2 325.456 3.335 20 0 EGADLP CCc1nocc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000353474748 141305232 /nfs/dbraw/zinc/30/52/32/141305232.db2.gz VLHHIFAHVXBXAI-HXUWFJFHSA-N 2 2 325.456 3.335 20 0 EGADLP CCc1nocc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000353474748 141305235 /nfs/dbraw/zinc/30/52/35/141305235.db2.gz VLHHIFAHVXBXAI-HXUWFJFHSA-N 2 2 325.456 3.335 20 0 EGADLP CCc1nocc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000353474748 141305237 /nfs/dbraw/zinc/30/52/37/141305237.db2.gz VLHHIFAHVXBXAI-HXUWFJFHSA-N 2 2 325.456 3.335 20 0 EGADLP Cc1ccc(CCCNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c[nH+]1 ZINC000354566762 141307080 /nfs/dbraw/zinc/30/70/80/141307080.db2.gz IIPZFIOBWRQUPZ-IAGOWNOFSA-N 2 2 340.471 3.443 20 0 EGADLP CC[C@@H](CC1CCCC1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000358028461 141379973 /nfs/dbraw/zinc/37/99/73/141379973.db2.gz PFZLSBJIROMPLO-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@@H](CC1CCCC1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000358028461 141379974 /nfs/dbraw/zinc/37/99/74/141379974.db2.gz PFZLSBJIROMPLO-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000359636661 141393596 /nfs/dbraw/zinc/39/35/96/141393596.db2.gz HHWUXPISQVMSBF-DJIMGWMZSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000359636661 141393598 /nfs/dbraw/zinc/39/35/98/141393598.db2.gz HHWUXPISQVMSBF-DJIMGWMZSA-N 2 2 344.421 3.333 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000178244957 144067413 /nfs/dbraw/zinc/06/74/13/144067413.db2.gz NZDIHVRAJVKTHP-CQSZACIVSA-N 2 2 330.451 3.183 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000178410488 144070873 /nfs/dbraw/zinc/07/08/73/144070873.db2.gz BRJSJKVOCPNVIS-HNNXBMFYSA-N 2 2 345.466 3.241 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000178450975 144071514 /nfs/dbraw/zinc/07/15/14/144071514.db2.gz LRQLKFODXOQEKL-RXVVDRJESA-N 2 2 339.483 3.351 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000178450975 144071515 /nfs/dbraw/zinc/07/15/15/144071515.db2.gz LRQLKFODXOQEKL-RXVVDRJESA-N 2 2 339.483 3.351 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2nn(C)c3ccccc23)n1-c1ccccc1 ZINC000187385225 144157938 /nfs/dbraw/zinc/15/79/38/144157938.db2.gz ZYTMMUSMACVLCM-UHFFFAOYSA-N 2 2 345.450 3.400 20 0 EGADLP COc1sc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000344690253 144210252 /nfs/dbraw/zinc/21/02/52/144210252.db2.gz WTOUVKZBINKFAY-UWVGGRQHSA-N 2 2 333.295 3.092 20 0 EGADLP COc1sc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000344690253 144210254 /nfs/dbraw/zinc/21/02/54/144210254.db2.gz WTOUVKZBINKFAY-UWVGGRQHSA-N 2 2 333.295 3.092 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344790938 144225186 /nfs/dbraw/zinc/22/51/86/144225186.db2.gz PVQKUEWCVOHUJB-MAUKXSAKSA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344790938 144225187 /nfs/dbraw/zinc/22/51/87/144225187.db2.gz PVQKUEWCVOHUJB-MAUKXSAKSA-N 2 2 342.439 3.209 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000351483812 144267751 /nfs/dbraw/zinc/26/77/51/144267751.db2.gz PMGYSOAPGDIRGA-MTMYEVCSSA-N 2 2 346.515 3.013 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000351483812 144267753 /nfs/dbraw/zinc/26/77/53/144267753.db2.gz PMGYSOAPGDIRGA-MTMYEVCSSA-N 2 2 346.515 3.013 20 0 EGADLP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351730176 144298196 /nfs/dbraw/zinc/29/81/96/144298196.db2.gz LULUTNJRJRJUOJ-SFHVURJKSA-N 2 2 334.423 3.135 20 0 EGADLP Cn1nccc1-c1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351730176 144298198 /nfs/dbraw/zinc/29/81/98/144298198.db2.gz LULUTNJRJRJUOJ-SFHVURJKSA-N 2 2 334.423 3.135 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245589547 286161774 /nfs/dbraw/zinc/16/17/74/286161774.db2.gz KSBVOCIXEOJJSJ-QEORTHHSSA-N 2 2 328.859 3.487 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245589547 286161775 /nfs/dbraw/zinc/16/17/75/286161775.db2.gz KSBVOCIXEOJJSJ-QEORTHHSSA-N 2 2 328.859 3.487 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341492952 155321306 /nfs/dbraw/zinc/32/13/06/155321306.db2.gz FMNDDQVLLBROEX-LJQANCHMSA-N 3 2 344.547 3.290 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341492952 155321308 /nfs/dbraw/zinc/32/13/08/155321308.db2.gz FMNDDQVLLBROEX-LJQANCHMSA-N 3 2 344.547 3.290 20 0 EGADLP Cc1cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc(C2CC2)[nH+]1 ZINC000341504009 155326645 /nfs/dbraw/zinc/32/66/45/155326645.db2.gz QGNCOPTWULENIY-ZDUSSCGKSA-N 2 2 328.485 3.005 20 0 EGADLP Cc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)nc(C2CC2)[nH+]1 ZINC000341504009 155326649 /nfs/dbraw/zinc/32/66/49/155326649.db2.gz QGNCOPTWULENIY-ZDUSSCGKSA-N 2 2 328.485 3.005 20 0 EGADLP C[NH+](C)CC[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C(C)(C)C ZINC000116395785 152057719 /nfs/dbraw/zinc/05/77/19/152057719.db2.gz BDZHEXVJYGUJDE-ZWKOTPCHSA-N 2 2 349.494 3.101 20 0 EGADLP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000119764804 152227754 /nfs/dbraw/zinc/22/77/54/152227754.db2.gz HAHSVRWAHXTBMW-UHFFFAOYSA-N 2 2 342.418 3.315 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000119952479 152239917 /nfs/dbraw/zinc/23/99/17/152239917.db2.gz WCAOQADKHWJKOJ-OAGGEKHMSA-N 2 2 337.483 3.042 20 0 EGADLP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000120916884 152310438 /nfs/dbraw/zinc/31/04/38/152310438.db2.gz LVOGVOCIJNIPSX-KRWDZBQOSA-N 2 2 348.450 3.261 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[nH+]1 ZINC000121151589 152329564 /nfs/dbraw/zinc/32/95/64/152329564.db2.gz CUNRYKLPVLUAFD-RLLQIKCJSA-N 2 2 337.467 3.021 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000195136182 153382825 /nfs/dbraw/zinc/38/28/25/153382825.db2.gz GRXYFDACPIIDAW-QUCCMNQESA-N 2 2 347.466 3.006 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000195136182 153382831 /nfs/dbraw/zinc/38/28/31/153382831.db2.gz GRXYFDACPIIDAW-QUCCMNQESA-N 2 2 347.466 3.006 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1nc(-c2ccccc2)cs1 ZINC000305142312 154087153 /nfs/dbraw/zinc/08/71/53/154087153.db2.gz QORRBHJJYZDDDG-OAHLLOKOSA-N 2 2 345.512 3.308 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000311210443 154147507 /nfs/dbraw/zinc/14/75/07/154147507.db2.gz OWNXJIFYBKGNTN-SFHVURJKSA-N 2 2 341.503 3.035 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000311210443 154147512 /nfs/dbraw/zinc/14/75/12/154147512.db2.gz OWNXJIFYBKGNTN-SFHVURJKSA-N 2 2 341.503 3.035 20 0 EGADLP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000337323304 154283386 /nfs/dbraw/zinc/28/33/86/154283386.db2.gz AHNCQSACYNMQMG-UHFFFAOYSA-N 2 2 339.483 3.407 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000337393692 154330155 /nfs/dbraw/zinc/33/01/55/154330155.db2.gz BHDNQNGUVFVBNO-MRXNPFEDSA-N 2 2 328.456 3.479 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]cc1Br ZINC000339976553 155059195 /nfs/dbraw/zinc/05/91/95/155059195.db2.gz UUVMUXARAYVHII-UHFFFAOYSA-N 2 2 331.217 3.036 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971362 156223183 /nfs/dbraw/zinc/22/31/83/156223183.db2.gz HBHDLGLLMZKVJA-WMZOPIPTSA-N 2 2 347.503 3.004 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971362 156223185 /nfs/dbraw/zinc/22/31/85/156223185.db2.gz HBHDLGLLMZKVJA-WMZOPIPTSA-N 2 2 347.503 3.004 20 0 EGADLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974955 156226735 /nfs/dbraw/zinc/22/67/35/156226735.db2.gz CNQOMFZVXJXBSB-PZJWPPBQSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974955 156226739 /nfs/dbraw/zinc/22/67/39/156226739.db2.gz CNQOMFZVXJXBSB-PZJWPPBQSA-N 2 2 339.483 3.149 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000347014486 156249976 /nfs/dbraw/zinc/24/99/76/156249976.db2.gz XNHTZSWWZILNQD-KXBFYZLASA-N 2 2 337.458 3.033 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000347014486 156249978 /nfs/dbraw/zinc/24/99/78/156249978.db2.gz XNHTZSWWZILNQD-KXBFYZLASA-N 2 2 337.458 3.033 20 0 EGADLP Cc1[nH]c(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c[nH+]1 ZINC000348953914 156299742 /nfs/dbraw/zinc/29/97/42/156299742.db2.gz CFVSACMXADLPJK-YOEHRIQHSA-N 2 2 328.460 3.213 20 0 EGADLP Cc1ccc2[nH+]c(CN(CC[NH+](C)C)Cc3cccc(F)c3)cn2c1 ZINC000349064111 156340968 /nfs/dbraw/zinc/34/09/68/156340968.db2.gz TVFUNOPXRJPGRE-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OC ZINC000368694771 157266751 /nfs/dbraw/zinc/26/67/51/157266751.db2.gz OLHNOUHTEVCVBJ-INIZCTEOSA-N 2 2 329.444 3.266 20 0 EGADLP Cc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(C)c[nH+]1 ZINC000372435278 157329374 /nfs/dbraw/zinc/32/93/74/157329374.db2.gz DJBBIZRHPIGNLR-UHFFFAOYSA-N 2 2 337.467 3.361 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(C4CCCC4)n3)C2)CC1 ZINC000107370531 162065448 /nfs/dbraw/zinc/06/54/48/162065448.db2.gz GYPUTXWEFVLXQN-SFHVURJKSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(C4CCCC4)n3)C2)CC1 ZINC000107370531 162065450 /nfs/dbraw/zinc/06/54/50/162065450.db2.gz GYPUTXWEFVLXQN-SFHVURJKSA-N 2 2 348.560 3.013 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000354336653 166005299 /nfs/dbraw/zinc/00/52/99/166005299.db2.gz YFYRGOSMAMFHFU-NEPXVJNWSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000354336653 166005300 /nfs/dbraw/zinc/00/53/00/166005300.db2.gz YFYRGOSMAMFHFU-NEPXVJNWSA-N 2 2 332.488 3.074 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3sccc3Cl)CC2)CC1 ZINC000338565078 163275934 /nfs/dbraw/zinc/27/59/34/163275934.db2.gz LIRWGVOFWAPLFT-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCOC2(C)C)CCOCC1)c1ccccc1 ZINC000340247223 163520201 /nfs/dbraw/zinc/52/02/01/163520201.db2.gz JXUOTUNUVSWONN-FUHWJXTLSA-N 2 2 332.488 3.044 20 0 EGADLP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000344042251 164089533 /nfs/dbraw/zinc/08/95/33/164089533.db2.gz JUICDYLJVMFBCO-CYBMUJFWSA-N 2 2 335.398 3.151 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000344298284 164149627 /nfs/dbraw/zinc/14/96/27/164149627.db2.gz MCDRTUITBJNALF-UMSONDCASA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000344298284 164149628 /nfs/dbraw/zinc/14/96/28/164149628.db2.gz MCDRTUITBJNALF-UMSONDCASA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H]2c2cccnc2)C1 ZINC000344297515 164149787 /nfs/dbraw/zinc/14/97/87/164149787.db2.gz MCDRTUITBJNALF-SEVLPDGMSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H]2c2cccnc2)C1 ZINC000344297515 164149788 /nfs/dbraw/zinc/14/97/88/164149788.db2.gz MCDRTUITBJNALF-SEVLPDGMSA-N 2 2 337.467 3.337 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CC(F)F)c1 ZINC000345762181 164260784 /nfs/dbraw/zinc/26/07/84/164260784.db2.gz HVJZYGRFMXVHFP-CQSZACIVSA-N 2 2 336.386 3.271 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000346009420 164317187 /nfs/dbraw/zinc/31/71/87/164317187.db2.gz CINMWUKSSMCRSR-SJLPKXTDSA-N 2 2 340.471 3.029 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccccc1 ZINC000346009420 164317190 /nfs/dbraw/zinc/31/71/90/164317190.db2.gz CINMWUKSSMCRSR-SJLPKXTDSA-N 2 2 340.471 3.029 20 0 EGADLP Cc1noc(C)c1C[NH+](CCn1cc[nH+]c1C)Cc1c(C)noc1C ZINC000346310764 164367605 /nfs/dbraw/zinc/36/76/05/164367605.db2.gz NSNXMLSGHBGTQM-UHFFFAOYSA-N 2 2 343.431 3.104 20 0 EGADLP Fc1ccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(F)c1F ZINC000346318471 164367841 /nfs/dbraw/zinc/36/78/41/164367841.db2.gz NZLDEFOYZBUXNS-UHFFFAOYSA-N 2 2 335.373 3.300 20 0 EGADLP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc[nH+]c(C)c2Cl)cc1 ZINC000350292593 165026878 /nfs/dbraw/zinc/02/68/78/165026878.db2.gz YEQFPLUYOBNFLB-SFHVURJKSA-N 2 2 345.874 3.259 20 0 EGADLP c1onc(Cc2ccccc2)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351643905 165113461 /nfs/dbraw/zinc/11/34/61/165113461.db2.gz KNTCLTHAKMUWKD-GOSISDBHSA-N 2 2 325.456 3.183 20 0 EGADLP c1onc(Cc2ccccc2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351643905 165113462 /nfs/dbraw/zinc/11/34/62/165113462.db2.gz KNTCLTHAKMUWKD-GOSISDBHSA-N 2 2 325.456 3.183 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000351954971 165166715 /nfs/dbraw/zinc/16/67/15/165166715.db2.gz DPQKAQAJGSOBSK-UHFFFAOYSA-N 2 2 335.411 3.265 20 0 EGADLP CC[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000352043399 165206736 /nfs/dbraw/zinc/20/67/36/165206736.db2.gz CXDZPPKYEQJFOZ-IBGZPJMESA-N 2 2 333.545 3.026 20 0 EGADLP CC[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000352043399 165206740 /nfs/dbraw/zinc/20/67/40/165206740.db2.gz CXDZPPKYEQJFOZ-IBGZPJMESA-N 2 2 333.545 3.026 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000352048297 165209832 /nfs/dbraw/zinc/20/98/32/165209832.db2.gz LZMANODTUCENTG-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000352048297 165209836 /nfs/dbraw/zinc/20/98/36/165209836.db2.gz LZMANODTUCENTG-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000352048297 165209838 /nfs/dbraw/zinc/20/98/38/165209838.db2.gz LZMANODTUCENTG-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000352048297 165209844 /nfs/dbraw/zinc/20/98/44/165209844.db2.gz LZMANODTUCENTG-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2nc3ccccc3s2)s1 ZINC000352250625 165309193 /nfs/dbraw/zinc/30/91/93/165309193.db2.gz JYBMUIDDMRMXHC-UHFFFAOYSA-N 2 2 332.498 3.147 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000352342639 165353681 /nfs/dbraw/zinc/35/36/81/165353681.db2.gz WLCQQWWUSZNUCS-DEOSSOPVSA-N 2 2 344.480 3.041 20 0 EGADLP Cc1cccn2c(C[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)c[nH+]c12 ZINC000352344793 165355101 /nfs/dbraw/zinc/35/51/01/165355101.db2.gz HAPRZTFQWJKIGP-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP Cc1cccn2c(C[N@H+]3CCc4c(cnn4-c4ccccc4)C3)c[nH+]c12 ZINC000352344793 165355107 /nfs/dbraw/zinc/35/51/07/165355107.db2.gz HAPRZTFQWJKIGP-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP Cc1nc(NCc2cccc(C[NH+]3CCCC3)c2)c2c([nH+]1)CCCC2 ZINC000359728870 167215920 /nfs/dbraw/zinc/21/59/20/167215920.db2.gz LBGOUUNXCDNUIQ-UHFFFAOYSA-N 2 2 336.483 3.294 20 0 EGADLP COC1(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCCC1 ZINC000359737152 167219451 /nfs/dbraw/zinc/21/94/51/167219451.db2.gz RVFBLJFBBRTSBP-GOSISDBHSA-N 2 2 346.515 3.435 20 0 EGADLP Cc1cc(NC(=O)[C@@]23CCC[C@H]2C[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245952 167281157 /nfs/dbraw/zinc/28/11/57/167281157.db2.gz RDJYQIIXYRIATF-GHTZIAJQSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1cc(NC(=O)[C@@]23CCC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245952 167281159 /nfs/dbraw/zinc/28/11/59/167281159.db2.gz RDJYQIIXYRIATF-GHTZIAJQSA-N 2 2 335.451 3.053 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096140 /nfs/dbraw/zinc/09/61/40/168096140.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096144 /nfs/dbraw/zinc/09/61/44/168096144.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096146 /nfs/dbraw/zinc/09/61/46/168096146.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224893 168096149 /nfs/dbraw/zinc/09/61/49/168096149.db2.gz ZEXQDWPURNAUJK-JBACZVJFSA-N 3 2 329.532 3.219 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000367361605 168214712 /nfs/dbraw/zinc/21/47/12/168214712.db2.gz QTHURSRZRDCKQL-HKBOAZHASA-N 2 2 349.478 3.069 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158767991 225081550 /nfs/dbraw/zinc/08/15/50/225081550.db2.gz XUMWZRNWIMTDIQ-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158767991 225081553 /nfs/dbraw/zinc/08/15/53/225081553.db2.gz XUMWZRNWIMTDIQ-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000158767991 225081556 /nfs/dbraw/zinc/08/15/56/225081556.db2.gz XUMWZRNWIMTDIQ-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000158767991 225081562 /nfs/dbraw/zinc/08/15/62/225081562.db2.gz XUMWZRNWIMTDIQ-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000159269486 225183372 /nfs/dbraw/zinc/18/33/72/225183372.db2.gz CRNGNZOQHIDYLI-QGZVFWFLSA-N 2 2 341.503 3.304 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000166774849 226169483 /nfs/dbraw/zinc/16/94/83/226169483.db2.gz HYRUGGCKDZHRAG-LSDHHAIUSA-N 2 2 335.517 3.346 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000166774849 226169486 /nfs/dbraw/zinc/16/94/86/226169486.db2.gz HYRUGGCKDZHRAG-LSDHHAIUSA-N 2 2 335.517 3.346 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000123595820 222303326 /nfs/dbraw/zinc/30/33/26/222303326.db2.gz IEALJOKXGNGDHJ-NRFANRHFSA-N 2 2 342.458 3.156 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(F)c1 ZINC000173947324 265013346 /nfs/dbraw/zinc/01/33/46/265013346.db2.gz VQQLNJNVUKRVEB-HOTGVXAUSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(F)c1 ZINC000173947324 265013350 /nfs/dbraw/zinc/01/33/50/265013350.db2.gz VQQLNJNVUKRVEB-HOTGVXAUSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000173947324 265013352 /nfs/dbraw/zinc/01/33/52/265013352.db2.gz VQQLNJNVUKRVEB-HOTGVXAUSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(F)c1 ZINC000173947324 265013353 /nfs/dbraw/zinc/01/33/53/265013353.db2.gz VQQLNJNVUKRVEB-HOTGVXAUSA-N 2 2 335.467 3.267 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000177267826 265244482 /nfs/dbraw/zinc/24/44/82/265244482.db2.gz HYLDAKPRQZCEBG-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1F ZINC000180266761 265399386 /nfs/dbraw/zinc/39/93/86/265399386.db2.gz LKOBXVBKCVJUBC-IBGZPJMESA-N 2 2 342.462 3.213 20 0 EGADLP CC[N@@H+](Cc1cncc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000274375766 267225987 /nfs/dbraw/zinc/22/59/87/267225987.db2.gz RHRPFNZLUZTQKJ-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP CC[N@H+](Cc1cncc(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000274375766 267225992 /nfs/dbraw/zinc/22/59/92/267225992.db2.gz RHRPFNZLUZTQKJ-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP COc1ccsc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000274414259 267233189 /nfs/dbraw/zinc/23/31/89/267233189.db2.gz FJDWUVOSXZKALL-ZFWWWQNUSA-N 2 2 346.500 3.465 20 0 EGADLP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474765 267244587 /nfs/dbraw/zinc/24/45/87/267244587.db2.gz KYOWYOLLDIDLAR-MRXNPFEDSA-N 2 2 348.441 3.312 20 0 EGADLP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474765 267244589 /nfs/dbraw/zinc/24/45/89/267244589.db2.gz KYOWYOLLDIDLAR-MRXNPFEDSA-N 2 2 348.441 3.312 20 0 EGADLP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474765 267244590 /nfs/dbraw/zinc/24/45/90/267244590.db2.gz KYOWYOLLDIDLAR-MRXNPFEDSA-N 2 2 348.441 3.312 20 0 EGADLP Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000274474765 267244592 /nfs/dbraw/zinc/24/45/92/267244592.db2.gz KYOWYOLLDIDLAR-MRXNPFEDSA-N 2 2 348.441 3.312 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cn1 ZINC000274747353 267280571 /nfs/dbraw/zinc/28/05/71/267280571.db2.gz GUNPEKVHWZLTJB-CJNGLKHVSA-N 2 2 345.878 3.443 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000274812426 267291847 /nfs/dbraw/zinc/29/18/47/267291847.db2.gz DUZDLNGMXGBXQK-CQSZACIVSA-N 2 2 339.395 3.108 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000275376190 267352069 /nfs/dbraw/zinc/35/20/69/267352069.db2.gz WSRZAYZLDGMVHA-JTQLQIEISA-N 2 2 330.245 3.118 20 0 EGADLP CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)[NH+](CC)CC ZINC000345634551 273713230 /nfs/dbraw/zinc/71/32/30/273713230.db2.gz CVYQKXCUDFJFOZ-SFHVURJKSA-N 2 2 346.519 3.199 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000358195069 274026197 /nfs/dbraw/zinc/02/61/97/274026197.db2.gz UJNYXDDXZWBGSA-CQSZACIVSA-N 2 2 345.270 3.127 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000343660903 274209858 /nfs/dbraw/zinc/20/98/58/274209858.db2.gz AFWSGKKISFFGQI-HNAYVOBHSA-N 2 2 327.472 3.246 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090801830 274258346 /nfs/dbraw/zinc/25/83/46/274258346.db2.gz YNDQUZPZIRSZKU-SJLPKXTDSA-N 2 2 333.439 3.197 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192047975 275223001 /nfs/dbraw/zinc/22/30/01/275223001.db2.gz VVBBIPRMMFUJIZ-SFHVURJKSA-N 3 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192047975 275223002 /nfs/dbraw/zinc/22/30/02/275223002.db2.gz VVBBIPRMMFUJIZ-SFHVURJKSA-N 3 2 326.488 3.344 20 0 EGADLP c1csc(N2CCC([NH2+]Cc3ccccc3-n3cc[nH+]c3)CC2)n1 ZINC000271906885 275240340 /nfs/dbraw/zinc/24/03/40/275240340.db2.gz CHJLSDNDUBPGHG-UHFFFAOYSA-N 2 2 339.468 3.087 20 0 EGADLP Cc1c[nH+]ccc1OC1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000278604890 275258517 /nfs/dbraw/zinc/25/85/17/275258517.db2.gz ZRVOGHGICHTQBO-UHFFFAOYSA-N 2 2 339.443 3.050 20 0 EGADLP Cc1c[nH+]ccc1OC1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000278604890 275258518 /nfs/dbraw/zinc/25/85/18/275258518.db2.gz ZRVOGHGICHTQBO-UHFFFAOYSA-N 2 2 339.443 3.050 20 0 EGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000278977268 275292777 /nfs/dbraw/zinc/29/27/77/275292777.db2.gz OGKMKIBBNUEGHV-WSTZPKSXSA-N 2 2 327.472 3.497 20 0 EGADLP CC(C)(C)n1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279577327 275341245 /nfs/dbraw/zinc/34/12/45/275341245.db2.gz BBKJRUXJEIXOMY-BGYRXZFFSA-N 2 2 338.499 3.202 20 0 EGADLP CC(C)(C)n1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279577327 275341247 /nfs/dbraw/zinc/34/12/47/275341247.db2.gz BBKJRUXJEIXOMY-BGYRXZFFSA-N 2 2 338.499 3.202 20 0 EGADLP CC(C)(C)n1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279577327 275341249 /nfs/dbraw/zinc/34/12/49/275341249.db2.gz BBKJRUXJEIXOMY-BGYRXZFFSA-N 2 2 338.499 3.202 20 0 EGADLP CC(C)(C)n1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000279577327 275341251 /nfs/dbraw/zinc/34/12/51/275341251.db2.gz BBKJRUXJEIXOMY-BGYRXZFFSA-N 2 2 338.499 3.202 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279806047 275361272 /nfs/dbraw/zinc/36/12/72/275361272.db2.gz WYLTYKUSDJQCTG-WOJBJXKFSA-N 2 2 335.451 3.346 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279806047 275361274 /nfs/dbraw/zinc/36/12/74/275361274.db2.gz WYLTYKUSDJQCTG-WOJBJXKFSA-N 2 2 335.451 3.346 20 0 EGADLP Cc1cccc(CC2(O)CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000279812838 275361897 /nfs/dbraw/zinc/36/18/97/275361897.db2.gz OSXWBOGDADRBFP-UHFFFAOYSA-N 2 2 335.451 3.212 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H]1C ZINC000280022839 275392893 /nfs/dbraw/zinc/39/28/93/275392893.db2.gz UBZMTBRFBHDZNV-XIRDDKMYSA-N 2 2 343.471 3.302 20 0 EGADLP C[C@@H]([NH2+]Cc1nccc(C(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286894201 276055063 /nfs/dbraw/zinc/05/50/63/276055063.db2.gz DEYNYAVINVJUPB-ZBFHGGJFSA-N 2 2 346.425 3.414 20 0 EGADLP C[C@@H]([NH2+]Cc1nccc(C(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286894201 276055064 /nfs/dbraw/zinc/05/50/64/276055064.db2.gz DEYNYAVINVJUPB-ZBFHGGJFSA-N 2 2 346.425 3.414 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000286982591 276066568 /nfs/dbraw/zinc/06/65/68/276066568.db2.gz CBDRGHVUGGVLCH-HNNXBMFYSA-N 2 2 326.444 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286982591 276066570 /nfs/dbraw/zinc/06/65/70/276066570.db2.gz CBDRGHVUGGVLCH-HNNXBMFYSA-N 2 2 326.444 3.340 20 0 EGADLP COc1cc[nH+]cc1COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000287347272 276110655 /nfs/dbraw/zinc/11/06/55/276110655.db2.gz ZHLYNGPMNXMXDW-KRWDZBQOSA-N 2 2 340.423 3.046 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000287608362 276139163 /nfs/dbraw/zinc/13/91/63/276139163.db2.gz SPWJOYYTUFFWON-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845834 276162851 /nfs/dbraw/zinc/16/28/51/276162851.db2.gz WMBXPCLXFNNEDO-LRDDRELGSA-N 2 2 326.843 3.241 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845834 276162852 /nfs/dbraw/zinc/16/28/52/276162852.db2.gz WMBXPCLXFNNEDO-LRDDRELGSA-N 2 2 326.843 3.241 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000344477570 276243201 /nfs/dbraw/zinc/24/32/01/276243201.db2.gz HGAHQFWBDBXCGC-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000344477570 276243203 /nfs/dbraw/zinc/24/32/03/276243203.db2.gz HGAHQFWBDBXCGC-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000344477570 276243205 /nfs/dbraw/zinc/24/32/05/276243205.db2.gz HGAHQFWBDBXCGC-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000344477570 276243207 /nfs/dbraw/zinc/24/32/07/276243207.db2.gz HGAHQFWBDBXCGC-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000289222567 276306444 /nfs/dbraw/zinc/30/64/44/276306444.db2.gz XSFJBEBQUZAYSJ-UHFFFAOYSA-N 2 2 343.496 3.232 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000289222567 276306445 /nfs/dbraw/zinc/30/64/45/276306445.db2.gz XSFJBEBQUZAYSJ-UHFFFAOYSA-N 2 2 343.496 3.232 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000289350846 276326231 /nfs/dbraw/zinc/32/62/31/276326231.db2.gz XJYFVEPEZPZGKD-RTWAWAEBSA-N 2 2 340.467 3.147 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000289350846 276326233 /nfs/dbraw/zinc/32/62/33/276326233.db2.gz XJYFVEPEZPZGKD-RTWAWAEBSA-N 2 2 340.467 3.147 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400644 276333497 /nfs/dbraw/zinc/33/34/97/276333497.db2.gz RZFZUVNSYKOGRM-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400644 276333498 /nfs/dbraw/zinc/33/34/98/276333498.db2.gz RZFZUVNSYKOGRM-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc[nH]n2)cc1 ZINC000289681207 276377360 /nfs/dbraw/zinc/37/73/60/276377360.db2.gz DZNDEORMDOXRLL-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc[nH]n2)cc1 ZINC000289681207 276377361 /nfs/dbraw/zinc/37/73/61/276377361.db2.gz DZNDEORMDOXRLL-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCn1cc[nH+]c1 ZINC000289794165 276395685 /nfs/dbraw/zinc/39/56/85/276395685.db2.gz QVZIKTVNCUUPJU-NSHDSACASA-N 2 2 326.213 3.006 20 0 EGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000290035006 276437725 /nfs/dbraw/zinc/43/77/25/276437725.db2.gz SDDQOAPIPNHIDV-HUUCEWRRSA-N 2 2 326.444 3.089 20 0 EGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000290037544 276438028 /nfs/dbraw/zinc/43/80/28/276438028.db2.gz SGDPMBJZZDATSZ-QZTJIDSGSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cc(-c3[nH]cc[nH+]3)ccc1C)C2 ZINC000290831758 276547928 /nfs/dbraw/zinc/54/79/28/276547928.db2.gz ICDZXDGQLAROHK-OAHLLOKOSA-N 2 2 335.411 3.091 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+]C3CCN(C(=O)N(C)C)CC3)cc2)c1C ZINC000291348200 276630706 /nfs/dbraw/zinc/63/07/06/276630706.db2.gz WXVLKZKPVCIOCB-UHFFFAOYSA-N 2 2 341.459 3.047 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183630 277069503 /nfs/dbraw/zinc/06/95/03/277069503.db2.gz KDSFDDPIQAZVCZ-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183630 277069505 /nfs/dbraw/zinc/06/95/05/277069505.db2.gz KDSFDDPIQAZVCZ-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183630 277069506 /nfs/dbraw/zinc/06/95/06/277069506.db2.gz KDSFDDPIQAZVCZ-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183630 277069508 /nfs/dbraw/zinc/06/95/08/277069508.db2.gz KDSFDDPIQAZVCZ-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730519 277074034 /nfs/dbraw/zinc/07/40/34/277074034.db2.gz ZUYNGLWTSYVZCD-HNAYVOBHSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730519 277074035 /nfs/dbraw/zinc/07/40/35/277074035.db2.gz ZUYNGLWTSYVZCD-HNAYVOBHSA-N 2 2 333.907 3.039 20 0 EGADLP CC(C)c1ccc([C@H](CNC(N)=[NH2+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261701523 278049304 /nfs/dbraw/zinc/04/93/04/278049304.db2.gz CPUVSPBLBSVBOF-KRWDZBQOSA-N 2 2 342.512 3.454 20 0 EGADLP CC(C)c1ccc([C@H](CNC(N)=[NH2+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261701523 278049306 /nfs/dbraw/zinc/04/93/06/278049306.db2.gz CPUVSPBLBSVBOF-KRWDZBQOSA-N 2 2 342.512 3.454 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187236 278274299 /nfs/dbraw/zinc/27/42/99/278274299.db2.gz PYFGBTCPKMLLFL-FUHWJXTLSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187236 278274301 /nfs/dbraw/zinc/27/43/01/278274301.db2.gz PYFGBTCPKMLLFL-FUHWJXTLSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089427462 278308090 /nfs/dbraw/zinc/30/80/90/278308090.db2.gz LKDCQADMFQCEKG-WBVHZDCISA-N 2 2 337.458 3.128 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089427462 278308091 /nfs/dbraw/zinc/30/80/91/278308091.db2.gz LKDCQADMFQCEKG-WBVHZDCISA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000359403764 280188755 /nfs/dbraw/zinc/18/87/55/280188755.db2.gz HQTWJYWXKIVPIS-CZUORRHYSA-N 2 2 328.859 3.488 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000095421745 288561603 /nfs/dbraw/zinc/56/16/03/288561603.db2.gz OQDWZEUOPVYSFC-PXNSSMCTSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000377540470 290171010 /nfs/dbraw/zinc/17/10/10/290171010.db2.gz JRCCXTLKKXAGBJ-HRCADAONSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000377540470 290171014 /nfs/dbraw/zinc/17/10/14/290171014.db2.gz JRCCXTLKKXAGBJ-HRCADAONSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000377540470 290171018 /nfs/dbraw/zinc/17/10/18/290171018.db2.gz JRCCXTLKKXAGBJ-HRCADAONSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000377540470 290171022 /nfs/dbraw/zinc/17/10/22/290171022.db2.gz JRCCXTLKKXAGBJ-HRCADAONSA-N 2 2 337.533 3.283 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000125491606 307556608 /nfs/dbraw/zinc/55/66/08/307556608.db2.gz SEXKDMAOEHPQOZ-UHFFFAOYSA-N 2 2 346.519 3.086 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414112709 309061632 /nfs/dbraw/zinc/06/16/32/309061632.db2.gz KAKXQYXGSKTZNB-NZSAHSFTSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414112709 309061633 /nfs/dbraw/zinc/06/16/33/309061633.db2.gz KAKXQYXGSKTZNB-NZSAHSFTSA-N 2 2 335.923 3.202 20 0 EGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000414120777 309062100 /nfs/dbraw/zinc/06/21/00/309062100.db2.gz YLYYHZUBOGIXLG-YZLZLFLDSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000414120777 309062101 /nfs/dbraw/zinc/06/21/01/309062101.db2.gz YLYYHZUBOGIXLG-YZLZLFLDSA-N 2 2 326.488 3.227 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414170058 309064397 /nfs/dbraw/zinc/06/43/97/309064397.db2.gz VVYZTEGQOVUBTF-ABSDTBQOSA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414170058 309064398 /nfs/dbraw/zinc/06/43/98/309064398.db2.gz VVYZTEGQOVUBTF-ABSDTBQOSA-N 2 2 339.483 3.274 20 0 EGADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCOC1 ZINC000153976829 307785369 /nfs/dbraw/zinc/78/53/69/307785369.db2.gz KGZXTVHWTUTRGC-IHPCNDPISA-N 2 2 346.515 3.291 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3c[nH+]c(N(C)C)n3C)oc21 ZINC000414248832 309068802 /nfs/dbraw/zinc/06/88/02/309068802.db2.gz DYCXNTDIFXTJAX-ZDUSSCGKSA-N 2 2 342.443 3.482 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1C(F)(F)F ZINC000158935332 307865907 /nfs/dbraw/zinc/86/59/07/307865907.db2.gz UZSWUXWKJYJOQI-LSDHHAIUSA-N 2 2 344.421 3.449 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCCCOc2ccc(Cl)cc2)n1C ZINC000414306816 309071871 /nfs/dbraw/zinc/07/18/71/309071871.db2.gz RGEAMJCWDNOYRM-UHFFFAOYSA-N 2 2 336.867 3.088 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248737712 308010484 /nfs/dbraw/zinc/01/04/84/308010484.db2.gz OUSLPBQLONEYBT-YSTOQKLRSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248737712 308010486 /nfs/dbraw/zinc/01/04/86/308010486.db2.gz OUSLPBQLONEYBT-YSTOQKLRSA-N 2 2 326.484 3.198 20 0 EGADLP C=Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000248741521 308010692 /nfs/dbraw/zinc/01/06/92/308010692.db2.gz AFFYTQIMCHREJG-SFTDATJTSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000248741521 308010694 /nfs/dbraw/zinc/01/06/94/308010694.db2.gz AFFYTQIMCHREJG-SFTDATJTSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000248741521 308010695 /nfs/dbraw/zinc/01/06/95/308010695.db2.gz AFFYTQIMCHREJG-SFTDATJTSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000248741521 308010697 /nfs/dbraw/zinc/01/06/97/308010697.db2.gz AFFYTQIMCHREJG-SFTDATJTSA-N 2 2 336.483 3.470 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000249123933 308019600 /nfs/dbraw/zinc/01/96/00/308019600.db2.gz YWRUGCVTGOTSCS-PMACEKPBSA-N 2 2 332.488 3.093 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000249123933 308019601 /nfs/dbraw/zinc/01/96/01/308019601.db2.gz YWRUGCVTGOTSCS-PMACEKPBSA-N 2 2 332.488 3.093 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416193 309078871 /nfs/dbraw/zinc/07/88/71/309078871.db2.gz WEARJEJFMJXUPX-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416193 309078872 /nfs/dbraw/zinc/07/88/72/309078872.db2.gz WEARJEJFMJXUPX-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000414416193 309078873 /nfs/dbraw/zinc/07/88/73/309078873.db2.gz WEARJEJFMJXUPX-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nn1 ZINC000414416193 309078874 /nfs/dbraw/zinc/07/88/74/309078874.db2.gz WEARJEJFMJXUPX-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000414435425 309079826 /nfs/dbraw/zinc/07/98/26/309079826.db2.gz FRDOZVOKIIBDFJ-UFRUDQCGSA-N 2 2 342.462 3.377 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000414435425 309079827 /nfs/dbraw/zinc/07/98/27/309079827.db2.gz FRDOZVOKIIBDFJ-UFRUDQCGSA-N 2 2 342.462 3.377 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000414435425 309079828 /nfs/dbraw/zinc/07/98/28/309079828.db2.gz FRDOZVOKIIBDFJ-UFRUDQCGSA-N 2 2 342.462 3.377 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000414435425 309079829 /nfs/dbraw/zinc/07/98/29/309079829.db2.gz FRDOZVOKIIBDFJ-UFRUDQCGSA-N 2 2 342.462 3.377 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293013868 308090079 /nfs/dbraw/zinc/09/00/79/308090079.db2.gz PYLQPWMCXAEOFT-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293013868 308090080 /nfs/dbraw/zinc/09/00/80/308090080.db2.gz PYLQPWMCXAEOFT-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293013868 308090081 /nfs/dbraw/zinc/09/00/81/308090081.db2.gz PYLQPWMCXAEOFT-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293013868 308090082 /nfs/dbraw/zinc/09/00/82/308090082.db2.gz PYLQPWMCXAEOFT-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000293574447 308143249 /nfs/dbraw/zinc/14/32/49/308143249.db2.gz NDYZXOMZKUDWCA-HOCLYGCPSA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000293574447 308143250 /nfs/dbraw/zinc/14/32/50/308143250.db2.gz NDYZXOMZKUDWCA-HOCLYGCPSA-N 2 2 340.895 3.272 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925286 308272139 /nfs/dbraw/zinc/27/21/39/308272139.db2.gz XDWBJTOWJRUXDZ-VCBZYWHSSA-N 2 2 343.471 3.167 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925286 308272140 /nfs/dbraw/zinc/27/21/40/308272140.db2.gz XDWBJTOWJRUXDZ-VCBZYWHSSA-N 2 2 343.471 3.167 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938551 308274193 /nfs/dbraw/zinc/27/41/93/308274193.db2.gz KZJJXDQTGUFRQJ-CXAGYDPISA-N 2 2 347.846 3.406 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938551 308274194 /nfs/dbraw/zinc/27/41/94/308274194.db2.gz KZJJXDQTGUFRQJ-CXAGYDPISA-N 2 2 347.846 3.406 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295037512 308284051 /nfs/dbraw/zinc/28/40/51/308284051.db2.gz DPPHMSCECDNJPQ-IBGZPJMESA-N 3 2 330.520 3.151 20 0 EGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c2ccc(C)cn12)NC(=O)OC(C)(C)C ZINC000295085092 308289670 /nfs/dbraw/zinc/28/96/70/308289670.db2.gz QXCHRZKRZDCLHH-AWEZNQCLSA-N 2 2 332.448 3.036 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129864 308294895 /nfs/dbraw/zinc/29/48/95/308294895.db2.gz OIMSQDMDVPPEJZ-UXHICEINSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129864 308294896 /nfs/dbraw/zinc/29/48/96/308294896.db2.gz OIMSQDMDVPPEJZ-UXHICEINSA-N 2 2 332.463 3.198 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)s1 ZINC000414589962 309091052 /nfs/dbraw/zinc/09/10/52/309091052.db2.gz XIUSCILZCUXNEZ-KGLIPLIRSA-N 2 2 325.522 3.277 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295492857 308332335 /nfs/dbraw/zinc/33/23/35/308332335.db2.gz STRBULHCPGBZAR-GOEBONIOSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295492857 308332336 /nfs/dbraw/zinc/33/23/36/308332336.db2.gz STRBULHCPGBZAR-GOEBONIOSA-N 2 2 331.410 3.360 20 0 EGADLP CO[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988688 308382184 /nfs/dbraw/zinc/38/21/84/308382184.db2.gz LJFJTGSFQXNOSN-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988688 308382186 /nfs/dbraw/zinc/38/21/86/308382186.db2.gz LJFJTGSFQXNOSN-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988688 308382188 /nfs/dbraw/zinc/38/21/88/308382188.db2.gz LJFJTGSFQXNOSN-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988688 308382190 /nfs/dbraw/zinc/38/21/90/308382190.db2.gz LJFJTGSFQXNOSN-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414660189 309094117 /nfs/dbraw/zinc/09/41/17/309094117.db2.gz UMGVIKJWCAKNTQ-CMPLNLGQSA-N 2 2 342.283 3.092 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414660189 309094118 /nfs/dbraw/zinc/09/41/18/309094118.db2.gz UMGVIKJWCAKNTQ-CMPLNLGQSA-N 2 2 342.283 3.092 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(Br)c1F)Cn1cc[nH+]c1 ZINC000296593165 308445066 /nfs/dbraw/zinc/44/50/66/308445066.db2.gz XUDYULDQDWBGEG-LLVKDONJSA-N 2 2 326.213 3.211 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000414667198 309094617 /nfs/dbraw/zinc/09/46/17/309094617.db2.gz XSEOCBXOTJEXBP-FQEVSTJZSA-N 2 2 339.483 3.461 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000414667198 309094618 /nfs/dbraw/zinc/09/46/18/309094618.db2.gz XSEOCBXOTJEXBP-FQEVSTJZSA-N 2 2 339.483 3.461 20 0 EGADLP C[C@H]1C[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2[nH+]ccn21 ZINC000296887181 308477696 /nfs/dbraw/zinc/47/76/96/308477696.db2.gz OJXIWMKJCVHLPN-KXBFYZLASA-N 2 2 340.471 3.205 20 0 EGADLP C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757319 309099052 /nfs/dbraw/zinc/09/90/52/309099052.db2.gz APAFNPZUUUBMFH-IJEWVQPXSA-N 2 2 331.485 3.058 20 0 EGADLP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757319 309099053 /nfs/dbraw/zinc/09/90/53/309099053.db2.gz APAFNPZUUUBMFH-IJEWVQPXSA-N 2 2 331.485 3.058 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000301430245 308699991 /nfs/dbraw/zinc/69/99/91/308699991.db2.gz GBZJBDNKYDIVED-UHFFFAOYSA-N 2 2 340.471 3.123 20 0 EGADLP Cc1ccc([C@@H](CNc2nc(N)c3ccccc3[nH+]2)[NH+]2CCCC2)o1 ZINC000301874633 308719341 /nfs/dbraw/zinc/71/93/41/308719341.db2.gz JUOHBTUKLRIUPB-MRXNPFEDSA-N 2 2 337.427 3.362 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1Cl ZINC000302800313 308746195 /nfs/dbraw/zinc/74/61/95/308746195.db2.gz SRKKDIHJDHUHFO-INIZCTEOSA-N 2 2 345.878 3.445 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c[nH+]c1N1CCCC[C@H]1C ZINC000332074462 308825415 /nfs/dbraw/zinc/82/54/15/308825415.db2.gz XQVAKUHDQFUAPM-BZUAXINKSA-N 2 2 345.491 3.160 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414866353 309106216 /nfs/dbraw/zinc/10/62/16/309106216.db2.gz GLCYLOIXIPQPDM-LBPRGKRZSA-N 2 2 331.382 3.012 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000414880763 309107050 /nfs/dbraw/zinc/10/70/50/309107050.db2.gz KCWDJLGDWINZMC-IRLDBZIGSA-N 2 2 347.462 3.479 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OC)c(F)c2)cc1 ZINC000414884909 309107117 /nfs/dbraw/zinc/10/71/17/309107117.db2.gz OIGGOUTZFUCWBL-PKOBYXMFSA-N 2 2 344.430 3.078 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc3cccnc32)cc1 ZINC000414892124 309107764 /nfs/dbraw/zinc/10/77/64/309107764.db2.gz WKHQBVMJTSISAN-LEWJYISDSA-N 2 2 347.462 3.479 20 0 EGADLP Cn1c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)nc2cc(C(F)(F)F)ccc21 ZINC000414911074 309108802 /nfs/dbraw/zinc/10/88/02/309108802.db2.gz TXKBFTCBJAKMEA-INIZCTEOSA-N 2 2 340.393 3.071 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1OC(F)F ZINC000414924587 309109654 /nfs/dbraw/zinc/10/96/54/309109654.db2.gz HMWYNSHRBJDJOU-OAHLLOKOSA-N 2 2 328.403 3.164 20 0 EGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414934097 309109985 /nfs/dbraw/zinc/10/99/85/309109985.db2.gz UYSPRDWGGZHIRK-MOPGFXCFSA-N 2 2 332.488 3.112 20 0 EGADLP [NH3+]C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000414937584 309110167 /nfs/dbraw/zinc/11/01/67/309110167.db2.gz HUZPGHWCYMSZAT-OAQYLSRUSA-N 3 2 346.478 3.493 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CCC[NH2+]1 ZINC000414939724 309110325 /nfs/dbraw/zinc/11/03/25/309110325.db2.gz GUILBMGIOHTHEU-OAQYLSRUSA-N 2 2 340.467 3.220 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C3(C)CC[NH2+]CC3)cs2)cc1 ZINC000414944409 309110600 /nfs/dbraw/zinc/11/06/00/309110600.db2.gz PQPQRURVWMNJPK-UHFFFAOYSA-N 2 2 331.485 3.262 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000414956039 309111238 /nfs/dbraw/zinc/11/12/38/309111238.db2.gz MUVMSQLYLLQJHU-XLIONFOSSA-N 2 2 345.437 3.336 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c[nH+]1 ZINC000414956039 309111239 /nfs/dbraw/zinc/11/12/39/309111239.db2.gz MUVMSQLYLLQJHU-XLIONFOSSA-N 3 2 345.437 3.336 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414973648 309112303 /nfs/dbraw/zinc/11/23/03/309112303.db2.gz ZXUDUHDZRQPAQN-HNNXBMFYSA-N 2 2 335.904 3.062 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)s1 ZINC000415031434 309115392 /nfs/dbraw/zinc/11/53/92/309115392.db2.gz HLVRDNRXYQTYEO-HNNXBMFYSA-N 2 2 346.500 3.179 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415040056 309115958 /nfs/dbraw/zinc/11/59/58/309115958.db2.gz JTIPAXKIMZUTOF-CJNGLKHVSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415040056 309115959 /nfs/dbraw/zinc/11/59/59/309115959.db2.gz JTIPAXKIMZUTOF-CJNGLKHVSA-N 2 2 332.879 3.191 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)ccc1OCC(F)(F)F ZINC000415043476 309116142 /nfs/dbraw/zinc/11/61/42/309116142.db2.gz RHUBDMZFVJGCEC-OAHLLOKOSA-N 2 2 346.393 3.257 20 0 EGADLP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000415054394 309116941 /nfs/dbraw/zinc/11/69/41/309116941.db2.gz NKPKHJJEJVBEPS-NRFANRHFSA-N 3 2 338.499 3.116 20 0 EGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000415081098 309118855 /nfs/dbraw/zinc/11/88/55/309118855.db2.gz KAFVMBIQVNPGEC-ICSRJNTNSA-N 3 2 340.515 3.374 20 0 EGADLP CCCOc1ccccc1Oc1ncccc1C[NH2+]CC(C)(C)[NH3+] ZINC000415092532 309119732 /nfs/dbraw/zinc/11/97/32/309119732.db2.gz SXJXUSWWJOQXSO-UHFFFAOYSA-N 2 2 329.444 3.490 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@H]1C[NH3+] ZINC000415122743 309121897 /nfs/dbraw/zinc/12/18/97/309121897.db2.gz IOJWXYJVVWWKIX-VXGBXAGGSA-N 2 2 340.393 3.009 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@H]1C[NH3+] ZINC000415122743 309121898 /nfs/dbraw/zinc/12/18/98/309121898.db2.gz IOJWXYJVVWWKIX-VXGBXAGGSA-N 2 2 340.393 3.009 20 0 EGADLP Cc1ccc(F)cc1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415127566 309122438 /nfs/dbraw/zinc/12/24/38/309122438.db2.gz IQDKDQLFLPIZGW-UHFFFAOYSA-N 3 2 341.474 3.217 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415162394 309124127 /nfs/dbraw/zinc/12/41/27/309124127.db2.gz AMXYPAMLILRELI-KBPBESRZSA-N 2 2 326.400 3.075 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000415291538 309129990 /nfs/dbraw/zinc/12/99/90/309129990.db2.gz HHYRBQQBTGUGKK-HNNXBMFYSA-N 2 2 341.459 3.176 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)C2CC([NH3+])C2)c1 ZINC000415291821 309130110 /nfs/dbraw/zinc/13/01/10/309130110.db2.gz HVYKYWNXXJLTTF-UHFFFAOYSA-N 2 2 341.459 3.304 20 0 EGADLP CN(C)c1[nH]c2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2[nH+]1 ZINC000416224496 309164566 /nfs/dbraw/zinc/16/45/66/309164566.db2.gz QRSMOYSAZTUWSY-UHFFFAOYSA-N 2 2 343.456 3.004 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000417355137 309202716 /nfs/dbraw/zinc/20/27/16/309202716.db2.gz DCDPYBVSCDJBMW-INIZCTEOSA-N 2 2 328.378 3.264 20 0 EGADLP Cc1cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)n(C)n1 ZINC000417926178 309228671 /nfs/dbraw/zinc/22/86/71/309228671.db2.gz OPKWVMGGEGQRKO-KRWDZBQOSA-N 2 2 326.488 3.482 20 0 EGADLP C[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000419693888 309271136 /nfs/dbraw/zinc/27/11/36/309271136.db2.gz JLBCMOGKRVCNEP-LBPRGKRZSA-N 2 2 340.393 3.398 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420292324 309279597 /nfs/dbraw/zinc/27/95/97/309279597.db2.gz PGRYKCHXIJMRPV-DBVUQKKJSA-N 2 2 337.467 3.344 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420292324 309279598 /nfs/dbraw/zinc/27/95/98/309279598.db2.gz PGRYKCHXIJMRPV-DBVUQKKJSA-N 2 2 337.467 3.344 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c(C)n1CC(F)(F)F ZINC000420311832 309281350 /nfs/dbraw/zinc/28/13/50/309281350.db2.gz IAMMHHOPIRKBQU-AWEZNQCLSA-N 2 2 345.409 3.053 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c(C)n1CC(F)(F)F ZINC000420311832 309281351 /nfs/dbraw/zinc/28/13/51/309281351.db2.gz IAMMHHOPIRKBQU-AWEZNQCLSA-N 2 2 345.409 3.053 20 0 EGADLP CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000420316519 309281470 /nfs/dbraw/zinc/28/14/70/309281470.db2.gz SWRBTWKWXKFUJQ-ZDUSSCGKSA-N 2 2 340.427 3.046 20 0 EGADLP CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000420316519 309281471 /nfs/dbraw/zinc/28/14/71/309281471.db2.gz SWRBTWKWXKFUJQ-ZDUSSCGKSA-N 2 2 340.427 3.046 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1Sc1ccccc1)C1CC([NH3+])C1 ZINC000420326905 309282231 /nfs/dbraw/zinc/28/22/31/309282231.db2.gz FJGBDYPOJPJTJE-UHFFFAOYSA-N 2 2 341.480 3.198 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1Sc1ccccc1)C1CC([NH3+])C1 ZINC000420326905 309282232 /nfs/dbraw/zinc/28/22/32/309282232.db2.gz FJGBDYPOJPJTJE-UHFFFAOYSA-N 2 2 341.480 3.198 20 0 EGADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)c1 ZINC000420324487 309282255 /nfs/dbraw/zinc/28/22/55/309282255.db2.gz VLYHNZJSYAERAC-SFHVURJKSA-N 2 2 347.484 3.060 20 0 EGADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420326658 309282375 /nfs/dbraw/zinc/28/23/75/309282375.db2.gz KDPVOVLXECKKKW-UHFFFAOYSA-N 2 2 330.863 3.419 20 0 EGADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420326658 309282376 /nfs/dbraw/zinc/28/23/76/309282376.db2.gz KDPVOVLXECKKKW-UHFFFAOYSA-N 2 2 330.863 3.419 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000420357548 309283784 /nfs/dbraw/zinc/28/37/84/309283784.db2.gz IDKZYLAIWARFII-OAHLLOKOSA-N 2 2 344.286 3.429 20 0 EGADLP Cc1ccc([C@@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)c2ccccc2)cc1 ZINC000420363204 309284315 /nfs/dbraw/zinc/28/43/15/309284315.db2.gz BJHOXWOLDIQCBG-SFHVURJKSA-N 2 2 336.439 3.451 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420363310 309284329 /nfs/dbraw/zinc/28/43/29/309284329.db2.gz JJOIBYVAPAZGLC-SJORKVTESA-N 2 2 349.544 3.081 20 0 EGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383687 309285559 /nfs/dbraw/zinc/28/55/59/309285559.db2.gz ZVQVKUSKACNOGI-UKRRQHHQSA-N 2 2 344.459 3.245 20 0 EGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383687 309285560 /nfs/dbraw/zinc/28/55/60/309285560.db2.gz ZVQVKUSKACNOGI-UKRRQHHQSA-N 2 2 344.459 3.245 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000420394233 309286212 /nfs/dbraw/zinc/28/62/12/309286212.db2.gz RMKWWEBTXMOOIX-VQTJNVASSA-N 2 2 328.431 3.159 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000420394233 309286213 /nfs/dbraw/zinc/28/62/13/309286213.db2.gz RMKWWEBTXMOOIX-VQTJNVASSA-N 2 2 328.431 3.159 20 0 EGADLP C[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccccc1C(F)(F)F ZINC000420397011 309286353 /nfs/dbraw/zinc/28/63/53/309286353.db2.gz FSKFHFGRLCCZBO-VIFPVBQESA-N 2 2 328.338 3.133 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000420403224 309286718 /nfs/dbraw/zinc/28/67/18/309286718.db2.gz KWHVKAHPRKOPAS-CORIIIEPSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000420403224 309286719 /nfs/dbraw/zinc/28/67/19/309286719.db2.gz KWHVKAHPRKOPAS-CORIIIEPSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1ccc([C@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000420791716 309295051 /nfs/dbraw/zinc/29/50/51/309295051.db2.gz JFEUZSOWWDOCAM-IBGZPJMESA-N 2 2 340.471 3.109 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000420824886 309296871 /nfs/dbraw/zinc/29/68/71/309296871.db2.gz RHEYOLVBVODJAF-AWEZNQCLSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000420824886 309296872 /nfs/dbraw/zinc/29/68/72/309296872.db2.gz RHEYOLVBVODJAF-AWEZNQCLSA-N 2 2 332.492 3.008 20 0 EGADLP CC(C)(C)OC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420940022 309302730 /nfs/dbraw/zinc/30/27/30/309302730.db2.gz RBZNQZBYDFKAIQ-UHFFFAOYSA-N 2 2 346.515 3.298 20 0 EGADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420959887 309304395 /nfs/dbraw/zinc/30/43/95/309304395.db2.gz HGPDIGMSTDNWAY-UHFFFAOYSA-N 2 2 343.471 3.149 20 0 EGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959121 309304448 /nfs/dbraw/zinc/30/44/48/309304448.db2.gz FTKDJFFEGDKLBK-RBUKOAKNSA-N 2 2 334.529 3.283 20 0 EGADLP C[C@@H]1Cc2c([nH+]cn2Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000420970847 309305070 /nfs/dbraw/zinc/30/50/70/309305070.db2.gz JISQTPPWEKMGEZ-DLBZAZTESA-N 2 2 339.483 3.134 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840236 309342637 /nfs/dbraw/zinc/34/26/37/309342637.db2.gz YJMWGLCIMWVZPB-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840236 309342638 /nfs/dbraw/zinc/34/26/38/309342638.db2.gz YJMWGLCIMWVZPB-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000422028214 309351815 /nfs/dbraw/zinc/35/18/15/309351815.db2.gz XNXYAOPIZYHTNJ-QZTJIDSGSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000422028214 309351816 /nfs/dbraw/zinc/35/18/16/309351816.db2.gz XNXYAOPIZYHTNJ-QZTJIDSGSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)CC(C)C)CC2)CC1 ZINC000422028612 309351849 /nfs/dbraw/zinc/35/18/49/309351849.db2.gz YIWKDMFVWLHOCU-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)CC(C)C)CC2)CC1 ZINC000422028612 309351850 /nfs/dbraw/zinc/35/18/50/309351850.db2.gz YIWKDMFVWLHOCU-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(OC)c1 ZINC000422715864 309364633 /nfs/dbraw/zinc/36/46/33/309364633.db2.gz JMXXTXGNAFBKHL-PKOBYXMFSA-N 2 2 326.440 3.287 20 0 EGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000422739866 309366112 /nfs/dbraw/zinc/36/61/12/309366112.db2.gz ANZSIJGOJAEKNB-CTNGQTDRSA-N 3 2 332.451 3.455 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422762168 309367061 /nfs/dbraw/zinc/36/70/61/309367061.db2.gz RXMALDVGWBSWQD-JXFKEZNVSA-N 3 2 336.483 3.283 20 0 EGADLP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422793305 309368748 /nfs/dbraw/zinc/36/87/48/309368748.db2.gz XBRJGBGLAKWCOU-DNVCBOLYSA-N 2 2 335.923 3.425 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000422798272 309369178 /nfs/dbraw/zinc/36/91/78/309369178.db2.gz QLBROEQBPKLXMY-HSALFYBXSA-N 2 2 333.520 3.328 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824749 309370360 /nfs/dbraw/zinc/37/03/60/309370360.db2.gz IASQVSUGVJJXAV-MRRJBJDNSA-N 2 2 340.414 3.022 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872996 309373053 /nfs/dbraw/zinc/37/30/53/309373053.db2.gz JKVCOJQBXBPLIK-RIFZZMRRSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872996 309373054 /nfs/dbraw/zinc/37/30/54/309373054.db2.gz JKVCOJQBXBPLIK-RIFZZMRRSA-N 3 2 338.499 3.162 20 0 EGADLP COc1ccc(C2(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)CCCCC2)cc1 ZINC000422903345 309375451 /nfs/dbraw/zinc/37/54/51/309375451.db2.gz OHZGPCMZLZAIRT-MJGOQNOKSA-N 2 2 346.515 3.254 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422908874 309375593 /nfs/dbraw/zinc/37/55/93/309375593.db2.gz MZPXLBKDEOPNND-NUEKZKHPSA-N 2 2 337.895 3.048 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422916051 309376007 /nfs/dbraw/zinc/37/60/07/309376007.db2.gz ZQKRFQAUOMQCAP-ZBFHGGJFSA-N 2 2 337.533 3.090 20 0 EGADLP CCCCNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422933768 309376826 /nfs/dbraw/zinc/37/68/26/309376826.db2.gz DSNKFLULZJKRLH-PMACEKPBSA-N 2 2 337.467 3.451 20 0 EGADLP CC(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422947237 309377595 /nfs/dbraw/zinc/37/75/95/309377595.db2.gz XVEYKUHYUCMPKQ-JITJBCMDSA-N 3 2 329.532 3.176 20 0 EGADLP CC(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000422947237 309377596 /nfs/dbraw/zinc/37/75/96/309377596.db2.gz XVEYKUHYUCMPKQ-JITJBCMDSA-N 3 2 329.532 3.176 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422967235 309378795 /nfs/dbraw/zinc/37/87/95/309378795.db2.gz OPOXFRVUQWMTPZ-PMACEKPBSA-N 2 2 332.488 3.002 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccco1 ZINC000422973402 309379149 /nfs/dbraw/zinc/37/91/49/309379149.db2.gz OKVBIZOQVRALTR-NZSAHSFTSA-N 2 2 329.488 3.211 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000422981898 309379329 /nfs/dbraw/zinc/37/93/29/309379329.db2.gz POZSXIVAOUFDCO-KBAYOESNSA-N 2 2 330.497 3.389 20 0 EGADLP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCCC[NH2+]1 ZINC000422984561 309379458 /nfs/dbraw/zinc/37/94/58/309379458.db2.gz YIXAIPQPRSOFMP-SWLSCSKDSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423024400 309381673 /nfs/dbraw/zinc/38/16/73/309381673.db2.gz LTSMKEHRLPXFQC-GDZNZVCISA-N 2 2 325.859 3.178 20 0 EGADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423083431 309385028 /nfs/dbraw/zinc/38/50/28/309385028.db2.gz GBXIADMRWUOMIQ-UHOSZYNNSA-N 2 2 344.430 3.332 20 0 EGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423236897 309391903 /nfs/dbraw/zinc/39/19/03/309391903.db2.gz PBQJZPKCYRJORN-QUCCMNQESA-N 2 2 328.431 3.460 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423250349 309392387 /nfs/dbraw/zinc/39/23/87/309392387.db2.gz UTOWSOOBHQYPLW-MAUKXSAKSA-N 2 2 328.456 3.233 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423250351 309392406 /nfs/dbraw/zinc/39/24/06/309392406.db2.gz UTOWSOOBHQYPLW-YJBOKZPZSA-N 2 2 328.456 3.233 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272179 309393343 /nfs/dbraw/zinc/39/33/43/309393343.db2.gz YWXIAZWEYBDXFR-JXFKEZNVSA-N 3 2 333.520 3.185 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000423287167 309394074 /nfs/dbraw/zinc/39/40/74/309394074.db2.gz KRIMNJVLPLFYQQ-GFCCVEGCSA-N 2 2 335.883 3.397 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423340036 309396009 /nfs/dbraw/zinc/39/60/09/309396009.db2.gz SKZSYGZGXRIIAF-IBGZPJMESA-N 2 2 334.410 3.074 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423363506 309397123 /nfs/dbraw/zinc/39/71/23/309397123.db2.gz JFSMJKICQQIUNO-ZBQZNYHESA-N 2 2 331.410 3.465 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(Br)c1 ZINC000423367116 309397341 /nfs/dbraw/zinc/39/73/41/309397341.db2.gz CYENMYZAHXZCEV-WOPDTQHZSA-N 2 2 327.266 3.249 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000423401337 309398694 /nfs/dbraw/zinc/39/86/94/309398694.db2.gz XEFRHFORWYCYGN-TYNCELHUSA-N 2 2 333.867 3.020 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CCC[NH2+]1 ZINC000423422328 309399604 /nfs/dbraw/zinc/39/96/04/309399604.db2.gz KLCLVOQGVAUEHC-AUUYWEPGSA-N 2 2 332.444 3.169 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CCC[NH2+]1 ZINC000423422307 309399624 /nfs/dbraw/zinc/39/96/24/309399624.db2.gz KKCUGXDQUFDKGJ-FUHWJXTLSA-N 2 2 338.879 3.220 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423439693 309400366 /nfs/dbraw/zinc/40/03/66/309400366.db2.gz VJQBDFRVUPDBOC-WFASDCNBSA-N 2 2 332.366 3.004 20 0 EGADLP COc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC000423536265 309405488 /nfs/dbraw/zinc/40/54/88/309405488.db2.gz ZEVHWCFKLBOXOW-YLQAJVPDSA-N 2 2 331.847 3.150 20 0 EGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423553453 309406107 /nfs/dbraw/zinc/40/61/07/309406107.db2.gz GXSPBNUVYMDJGN-IEBWSBKVSA-N 3 2 329.532 3.394 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423554625 309406240 /nfs/dbraw/zinc/40/62/40/309406240.db2.gz WZQFZOLYKCJDEV-MBOZVWFJSA-N 3 2 347.934 3.282 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000423769277 309411888 /nfs/dbraw/zinc/41/18/88/309411888.db2.gz GCVLOKXLGZNLGH-ZFWWWQNUSA-N 2 2 326.444 3.349 20 0 EGADLP C[C@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C1CC[NH2+]CC1 ZINC000423806117 309413716 /nfs/dbraw/zinc/41/37/16/309413716.db2.gz DWQPCKMRARWFET-CYBMUJFWSA-N 2 2 340.471 3.415 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000423915841 309420223 /nfs/dbraw/zinc/42/02/23/309420223.db2.gz WUKUUWNWYJTCML-RHSMWYFYSA-N 2 2 325.412 3.496 20 0 EGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)oc2c1 ZINC000426035928 309498099 /nfs/dbraw/zinc/49/80/99/309498099.db2.gz OGCCIDVVOSPJQH-AEFFLSMTSA-N 2 2 330.472 3.485 20 0 EGADLP Cc1cc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)ccc1F ZINC000427862130 309537277 /nfs/dbraw/zinc/53/72/77/309537277.db2.gz FFXGTQWAYGTZRC-FXAWDEMLSA-N 2 2 336.414 3.420 20 0 EGADLP COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427861418 309537359 /nfs/dbraw/zinc/53/73/59/309537359.db2.gz SUWZCIQJJQUIHX-VXGBXAGGSA-N 2 2 335.835 3.219 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000430541532 309610134 /nfs/dbraw/zinc/61/01/34/309610134.db2.gz BINLLDWWKKANOJ-QGZVFWFLSA-N 2 2 333.457 3.002 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000431350106 309630661 /nfs/dbraw/zinc/63/06/61/309630661.db2.gz NMRDWRVOLWPYJD-VQIMIIECSA-N 2 2 332.488 3.070 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)sc3Cl)C2)CC1 ZINC000449022330 310030016 /nfs/dbraw/zinc/03/00/16/310030016.db2.gz IAGFCJNFCOSMKR-ZDUSSCGKSA-N 2 2 348.343 3.267 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)sc3Cl)C2)CC1 ZINC000449022330 310030015 /nfs/dbraw/zinc/03/00/15/310030015.db2.gz IAGFCJNFCOSMKR-ZDUSSCGKSA-N 2 2 348.343 3.267 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449024760 310030324 /nfs/dbraw/zinc/03/03/24/310030324.db2.gz DOSMNNSKUPAXMN-UHFFFAOYSA-N 2 2 327.476 3.186 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047419 310032936 /nfs/dbraw/zinc/03/29/36/310032936.db2.gz NTCNRXVUMVCMGQ-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047419 310032937 /nfs/dbraw/zinc/03/29/37/310032937.db2.gz NTCNRXVUMVCMGQ-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047419 310032938 /nfs/dbraw/zinc/03/29/38/310032938.db2.gz NTCNRXVUMVCMGQ-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047419 310032939 /nfs/dbraw/zinc/03/29/39/310032939.db2.gz NTCNRXVUMVCMGQ-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046913 310032944 /nfs/dbraw/zinc/03/29/44/310032944.db2.gz MLQJXYWHQFRRCU-LPHOPBHVSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046913 310032945 /nfs/dbraw/zinc/03/29/45/310032945.db2.gz MLQJXYWHQFRRCU-LPHOPBHVSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046913 310032946 /nfs/dbraw/zinc/03/29/46/310032946.db2.gz MLQJXYWHQFRRCU-LPHOPBHVSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046913 310032947 /nfs/dbraw/zinc/03/29/47/310032947.db2.gz MLQJXYWHQFRRCU-LPHOPBHVSA-N 2 2 342.462 3.142 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449078893 310035380 /nfs/dbraw/zinc/03/53/80/310035380.db2.gz WOCKNYODYYHOOY-HNNXBMFYSA-N 2 2 326.469 3.303 20 0 EGADLP COc1cc2ccccc2cc1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449128871 310039034 /nfs/dbraw/zinc/03/90/34/310039034.db2.gz YTWSSGKIVFJOFY-HXUWFJFHSA-N 2 2 342.483 3.031 20 0 EGADLP COC[C@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000449781486 310086723 /nfs/dbraw/zinc/08/67/23/310086723.db2.gz XHSPABDJHWKXFG-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000449781486 310086724 /nfs/dbraw/zinc/08/67/24/310086724.db2.gz XHSPABDJHWKXFG-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000449781486 310086725 /nfs/dbraw/zinc/08/67/25/310086725.db2.gz XHSPABDJHWKXFG-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000449781486 310086726 /nfs/dbraw/zinc/08/67/26/310086726.db2.gz XHSPABDJHWKXFG-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c1 ZINC000450496025 310126218 /nfs/dbraw/zinc/12/62/18/310126218.db2.gz AMSLDICGWXZNAR-UHFFFAOYSA-N 2 2 341.430 3.314 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134713 /nfs/dbraw/zinc/13/47/13/310134713.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 3 2 344.547 3.493 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134714 /nfs/dbraw/zinc/13/47/14/310134714.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 3 2 344.547 3.493 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134715 /nfs/dbraw/zinc/13/47/15/310134715.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 3 2 344.547 3.493 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643829 310134716 /nfs/dbraw/zinc/13/47/16/310134716.db2.gz ROJXCUFWQIIYLD-OAQYLSRUSA-N 3 2 344.547 3.493 20 0 EGADLP CCO[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522191 310182565 /nfs/dbraw/zinc/18/25/65/310182565.db2.gz ASRVWRUATLVTCD-SESVDKBCSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522191 310182566 /nfs/dbraw/zinc/18/25/66/310182566.db2.gz ASRVWRUATLVTCD-SESVDKBCSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522191 310182567 /nfs/dbraw/zinc/18/25/67/310182567.db2.gz ASRVWRUATLVTCD-SESVDKBCSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000451522191 310182568 /nfs/dbraw/zinc/18/25/68/310182568.db2.gz ASRVWRUATLVTCD-SESVDKBCSA-N 2 2 346.515 3.024 20 0 EGADLP Clc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000453051368 310254407 /nfs/dbraw/zinc/25/44/07/310254407.db2.gz BCAWAWXXTJKJPA-QZTJIDSGSA-N 2 2 333.863 3.307 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453059331 310255214 /nfs/dbraw/zinc/25/52/14/310255214.db2.gz KXFVIFUPWAXKHG-KRWDZBQOSA-N 2 2 343.862 3.348 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000453068012 310255609 /nfs/dbraw/zinc/25/56/09/310255609.db2.gz CDPZUQWNCMBVKP-LAUBAEHRSA-N 2 2 338.499 3.080 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000453068012 310255610 /nfs/dbraw/zinc/25/56/10/310255610.db2.gz CDPZUQWNCMBVKP-LAUBAEHRSA-N 2 2 338.499 3.080 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CO2 ZINC000453072705 310255911 /nfs/dbraw/zinc/25/59/11/310255911.db2.gz FSZBFAFRFMQCHF-LJQANCHMSA-N 2 2 349.434 3.033 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000453212086 310264389 /nfs/dbraw/zinc/26/43/89/310264389.db2.gz BSMGDSCWENOTSD-HNNXBMFYSA-N 2 2 343.475 3.356 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221330 310265010 /nfs/dbraw/zinc/26/50/10/310265010.db2.gz VCGQEOVVSPLTEU-LEWJYISDSA-N 2 2 339.483 3.413 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221330 310265011 /nfs/dbraw/zinc/26/50/11/310265011.db2.gz VCGQEOVVSPLTEU-LEWJYISDSA-N 2 2 339.483 3.413 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254203 310267008 /nfs/dbraw/zinc/26/70/08/310267008.db2.gz DHCZPNMGPMKAFY-DYESRHJHSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254203 310267009 /nfs/dbraw/zinc/26/70/09/310267009.db2.gz DHCZPNMGPMKAFY-DYESRHJHSA-N 2 2 339.483 3.246 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300837 310269929 /nfs/dbraw/zinc/26/99/29/310269929.db2.gz ZOXBDQWHEFGPLS-MJGOQNOKSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300837 310269930 /nfs/dbraw/zinc/26/99/30/310269930.db2.gz ZOXBDQWHEFGPLS-MJGOQNOKSA-N 2 2 336.907 3.098 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263267 310300136 /nfs/dbraw/zinc/30/01/36/310300136.db2.gz KGNWUDMZMADUEB-IRXDYDNUSA-N 2 2 349.523 3.020 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000454717936 310325451 /nfs/dbraw/zinc/32/54/51/310325451.db2.gz IAIFYNPLHVIFEV-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459364982 310547147 /nfs/dbraw/zinc/54/71/47/310547147.db2.gz KYMBBOYBJSMDIX-UHFFFAOYSA-N 2 2 341.293 3.365 20 0 EGADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1I ZINC000481948826 310924130 /nfs/dbraw/zinc/92/41/30/310924130.db2.gz BPQUWIIRMYQXHV-NEPJUHHUSA-N 2 2 346.256 3.282 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000482227422 310928596 /nfs/dbraw/zinc/92/85/96/310928596.db2.gz FFTBTWHYYDYWPJ-UHFFFAOYSA-N 2 2 336.863 3.091 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000485293575 310975688 /nfs/dbraw/zinc/97/56/88/310975688.db2.gz QPPGKZBQYZRKGY-BEFAXECRSA-N 2 2 347.478 3.397 20 0 EGADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@H]3CCSC3)CCCC2)no1 ZINC000487300663 311019439 /nfs/dbraw/zinc/01/94/39/311019439.db2.gz ODDUWTPDGCSJPG-CQSZACIVSA-N 2 2 338.521 3.023 20 0 EGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000488419779 311064719 /nfs/dbraw/zinc/06/47/19/311064719.db2.gz HYTFHNKICMYKFM-HZPDHXFCSA-N 2 2 328.591 3.468 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@@H]3CS[C@H](C(C)(C)C)C3)[nH+]c2)CC1 ZINC000488440956 311065584 /nfs/dbraw/zinc/06/55/84/311065584.db2.gz KBOYYKRYNAXPAR-HOCLYGCPSA-N 2 2 334.533 3.166 20 0 EGADLP CC(C)(C)OC1CC([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000490155569 311134544 /nfs/dbraw/zinc/13/45/44/311134544.db2.gz DXRGNVGQOWWPSZ-UHFFFAOYSA-N 2 2 326.550 3.284 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCc4ccccc4OC3)cc2)c[nH+]1 ZINC000491821459 311189686 /nfs/dbraw/zinc/18/96/86/311189686.db2.gz SHACHZMOWUBRDI-FQEVSTJZSA-N 2 2 333.435 3.415 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000492168757 311223314 /nfs/dbraw/zinc/22/33/14/311223314.db2.gz KPSFYGPDVQTVBA-YFHOEESVSA-N 2 2 326.444 3.407 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000492575389 311267256 /nfs/dbraw/zinc/26/72/56/311267256.db2.gz KAZAWKZAZKUDOZ-BQYQJAHWSA-N 2 2 332.835 3.270 20 0 EGADLP O=C(/C=C\c1ccc(F)c(F)c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492839748 311297426 /nfs/dbraw/zinc/29/74/26/311297426.db2.gz USGPPZXNYQPGAT-RQOWECAXSA-N 2 2 326.306 3.197 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC000493120625 311330390 /nfs/dbraw/zinc/33/03/90/311330390.db2.gz QNIJIQQFXDZGRG-SCOAYWHSSA-N 2 2 338.455 3.203 20 0 EGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000493157106 311335679 /nfs/dbraw/zinc/33/56/79/311335679.db2.gz YCWXTDVJROUELN-MJGOQNOKSA-N 2 2 336.545 3.361 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339964 311362025 /nfs/dbraw/zinc/36/20/25/311362025.db2.gz YEGNZAMQPUKULV-YOEHRIQHSA-N 2 2 333.476 3.116 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339964 311362026 /nfs/dbraw/zinc/36/20/26/311362026.db2.gz YEGNZAMQPUKULV-YOEHRIQHSA-N 2 2 333.476 3.116 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000493358034 311364856 /nfs/dbraw/zinc/36/48/56/311364856.db2.gz OAXJVYSUHYSWPQ-RLFYNMQTSA-N 2 2 347.503 3.312 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000493358034 311364857 /nfs/dbraw/zinc/36/48/57/311364857.db2.gz OAXJVYSUHYSWPQ-RLFYNMQTSA-N 2 2 347.503 3.312 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000494149296 311459525 /nfs/dbraw/zinc/45/95/25/311459525.db2.gz XKRZSFDJHFVDIG-OAHLLOKOSA-N 2 2 348.491 3.236 20 0 EGADLP Fc1ccc(-c2nc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000494432596 311477825 /nfs/dbraw/zinc/47/78/25/311477825.db2.gz HSMPEHAAMOLQEH-CQSZACIVSA-N 2 2 328.416 3.250 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1)CCC2 ZINC000495088976 311536886 /nfs/dbraw/zinc/53/68/86/311536886.db2.gz WPEFOSQYFVFSDB-QAPCUYQASA-N 2 2 340.471 3.122 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000495800093 311612772 /nfs/dbraw/zinc/61/27/72/311612772.db2.gz JVMGBWLTQRZKCS-OAHLLOKOSA-N 2 2 348.491 3.099 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000497823181 311869936 /nfs/dbraw/zinc/86/99/36/311869936.db2.gz ZXLODDGEWVLGAR-QZTJIDSGSA-N 2 2 332.488 3.309 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721539 312100938 /nfs/dbraw/zinc/10/09/38/312100938.db2.gz VHRHHDOEBOPNBT-SVFBPWRDSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000512130387 312176417 /nfs/dbraw/zinc/17/64/17/312176417.db2.gz NLOHKBCVSVLBCN-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000512130387 312176418 /nfs/dbraw/zinc/17/64/18/312176418.db2.gz NLOHKBCVSVLBCN-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190625 /nfs/dbraw/zinc/19/06/25/312190625.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190628 /nfs/dbraw/zinc/19/06/28/312190628.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190631 /nfs/dbraw/zinc/19/06/31/312190631.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622917 312190633 /nfs/dbraw/zinc/19/06/33/312190633.db2.gz CRCDMQSBSCHXPY-BAGYTPMASA-N 3 2 341.543 3.361 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334254 312276955 /nfs/dbraw/zinc/27/69/55/312276955.db2.gz WYKNPDCMVCQSBK-LJQANCHMSA-N 2 2 334.479 3.416 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334254 312276956 /nfs/dbraw/zinc/27/69/56/312276956.db2.gz WYKNPDCMVCQSBK-LJQANCHMSA-N 2 2 334.479 3.416 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334254 312276957 /nfs/dbraw/zinc/27/69/57/312276957.db2.gz WYKNPDCMVCQSBK-LJQANCHMSA-N 2 2 334.479 3.416 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CCCCC1)C1CC1 ZINC000515334254 312276958 /nfs/dbraw/zinc/27/69/58/312276958.db2.gz WYKNPDCMVCQSBK-LJQANCHMSA-N 2 2 334.479 3.416 20 0 EGADLP C[C@H](C[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000515344198 312277883 /nfs/dbraw/zinc/27/78/83/312277883.db2.gz BELHOFZYHBVSSA-CABCVRRESA-N 2 2 344.421 3.367 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000516512666 312326512 /nfs/dbraw/zinc/32/65/12/312326512.db2.gz ANZPPFYQEQGGJI-GOSISDBHSA-N 2 2 334.504 3.169 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000517959902 312399796 /nfs/dbraw/zinc/39/97/96/312399796.db2.gz CCEYOYHUCQDNHV-GOSISDBHSA-N 2 2 325.456 3.234 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nccc4ccccc43)CC2)CC1 ZINC000527935027 312977082 /nfs/dbraw/zinc/97/70/82/312977082.db2.gz SUYFCPKYAHDECP-UHFFFAOYSA-N 2 2 338.499 3.230 20 0 EGADLP C/C(Cl)=C/C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368695 313075165 /nfs/dbraw/zinc/07/51/65/313075165.db2.gz WACBJOKCAGLIPP-PNWYBZRESA-N 2 2 348.922 3.058 20 0 EGADLP C/C(Cl)=C/C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368695 313075168 /nfs/dbraw/zinc/07/51/68/313075168.db2.gz WACBJOKCAGLIPP-PNWYBZRESA-N 2 2 348.922 3.058 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383419 313079460 /nfs/dbraw/zinc/07/94/60/313079460.db2.gz VXUJMHCPLQWVOB-OALUTQOASA-N 2 2 345.462 3.479 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383419 313079462 /nfs/dbraw/zinc/07/94/62/313079462.db2.gz VXUJMHCPLQWVOB-OALUTQOASA-N 2 2 345.462 3.479 20 0 EGADLP Fc1cc(Br)cnc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000529526035 313343427 /nfs/dbraw/zinc/34/34/27/313343427.db2.gz PGIHHPZFJDTEPR-UHFFFAOYSA-N 2 2 339.212 3.086 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000531306384 313653164 /nfs/dbraw/zinc/65/31/64/313653164.db2.gz MXCBSMRWHRFNKE-MRXNPFEDSA-N 2 2 342.830 3.020 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000535312777 314039934 /nfs/dbraw/zinc/03/99/34/314039934.db2.gz HBBASMCNPLKGOG-OAHLLOKOSA-N 2 2 338.411 3.073 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000535312777 314039937 /nfs/dbraw/zinc/03/99/37/314039937.db2.gz HBBASMCNPLKGOG-OAHLLOKOSA-N 2 2 338.411 3.073 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000535312774 314040275 /nfs/dbraw/zinc/04/02/75/314040275.db2.gz FPBLYPBPXMVIQX-MRXNPFEDSA-N 2 2 337.427 3.022 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000535312774 314040276 /nfs/dbraw/zinc/04/02/76/314040276.db2.gz FPBLYPBPXMVIQX-MRXNPFEDSA-N 2 2 337.427 3.022 20 0 EGADLP Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000535416774 314045215 /nfs/dbraw/zinc/04/52/15/314045215.db2.gz ZXOZFLFNOFIVLH-UHFFFAOYSA-N 2 2 336.439 3.194 20 0 EGADLP COc1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536368885 314109081 /nfs/dbraw/zinc/10/90/81/314109081.db2.gz HBLZEWAVQHFDTA-UHFFFAOYSA-N 2 2 327.428 3.046 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000538256734 314235594 /nfs/dbraw/zinc/23/55/94/314235594.db2.gz BMQCMWUXJFTXGT-DMUMMCEESA-N 2 2 348.531 3.142 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000538256734 314235597 /nfs/dbraw/zinc/23/55/97/314235597.db2.gz BMQCMWUXJFTXGT-DMUMMCEESA-N 2 2 348.531 3.142 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2c(C)cc(C)cc2C)CC1 ZINC000546623056 314839523 /nfs/dbraw/zinc/83/95/23/314839523.db2.gz GGSALWBYKFTHMG-UHFFFAOYSA-N 2 2 346.515 3.162 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548860324 315056029 /nfs/dbraw/zinc/05/60/29/315056029.db2.gz YYLPQYDWRMHLFE-HZPDHXFCSA-N 2 2 339.439 3.477 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000549920940 315110589 /nfs/dbraw/zinc/11/05/89/315110589.db2.gz AUXHBORNCXPZOA-HXUWFJFHSA-N 2 2 344.474 3.229 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000549920940 315110591 /nfs/dbraw/zinc/11/05/91/315110591.db2.gz AUXHBORNCXPZOA-HXUWFJFHSA-N 2 2 344.474 3.229 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193249 /nfs/dbraw/zinc/19/32/49/315193249.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193250 /nfs/dbraw/zinc/19/32/50/315193250.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193252 /nfs/dbraw/zinc/19/32/52/315193252.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049508 315193254 /nfs/dbraw/zinc/19/32/54/315193254.db2.gz XPFMWORSWQUZFN-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000552124875 315199487 /nfs/dbraw/zinc/19/94/87/315199487.db2.gz UMJBEWHJESVVCL-VDGAXYAQSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000552124875 315199489 /nfs/dbraw/zinc/19/94/89/315199489.db2.gz UMJBEWHJESVVCL-VDGAXYAQSA-N 2 2 337.467 3.028 20 0 EGADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560052 315225324 /nfs/dbraw/zinc/22/53/24/315225324.db2.gz DUZLBDXWXRPIOQ-PMACEKPBSA-N 2 2 344.547 3.350 20 0 EGADLP CC(C)C[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560052 315225327 /nfs/dbraw/zinc/22/53/27/315225327.db2.gz DUZLBDXWXRPIOQ-PMACEKPBSA-N 2 2 344.547 3.350 20 0 EGADLP CC(C)C1CCC(C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000554855757 315352604 /nfs/dbraw/zinc/35/26/04/315352604.db2.gz YAALOBXUGWXONM-GKYDQMIMSA-N 2 2 335.580 3.407 20 0 EGADLP CC(C)C1CCC(C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000554855757 315352605 /nfs/dbraw/zinc/35/26/05/315352605.db2.gz YAALOBXUGWXONM-GKYDQMIMSA-N 2 2 335.580 3.407 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000563657434 316052026 /nfs/dbraw/zinc/05/20/26/316052026.db2.gz RUDYNDJBVHUXNB-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144181 316117595 /nfs/dbraw/zinc/11/75/95/316117595.db2.gz LJHSWMHVLCFXHW-JXFKEZNVSA-N 2 2 341.499 3.492 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144181 316117596 /nfs/dbraw/zinc/11/75/96/316117596.db2.gz LJHSWMHVLCFXHW-JXFKEZNVSA-N 2 2 341.499 3.492 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000564434670 316151910 /nfs/dbraw/zinc/15/19/10/316151910.db2.gz LHFOUCWLTYONAZ-ACRUOGEOSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000564434670 316151914 /nfs/dbraw/zinc/15/19/14/316151914.db2.gz LHFOUCWLTYONAZ-ACRUOGEOSA-N 2 2 344.499 3.351 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000565877373 316382309 /nfs/dbraw/zinc/38/23/09/316382309.db2.gz QNIKJRYXIQPTBT-GDBMZVCRSA-N 2 2 333.524 3.235 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)Cc1ccccc1C(F)(F)F ZINC000567345802 316603358 /nfs/dbraw/zinc/60/33/58/316603358.db2.gz UTZIZPPLMFOKIV-OAHLLOKOSA-N 2 2 349.356 3.046 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000567464401 316622361 /nfs/dbraw/zinc/62/23/61/316622361.db2.gz RILVSFXEVXGCJM-GNZRSQJKSA-N 2 2 331.504 3.138 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000568831590 316827752 /nfs/dbraw/zinc/82/77/52/316827752.db2.gz ILOUYSGRUURWPP-WMQCIHAUSA-N 2 2 341.499 3.388 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000154557246 454907554 /nfs/dbraw/zinc/90/75/54/454907554.db2.gz MUAJAQQQITXQFU-IUODEOHRSA-N 2 2 339.277 3.347 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000154557246 454907557 /nfs/dbraw/zinc/90/75/57/454907557.db2.gz MUAJAQQQITXQFU-IUODEOHRSA-N 2 2 339.277 3.347 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)n1C ZINC000570226366 317024835 /nfs/dbraw/zinc/02/48/35/317024835.db2.gz RBQHJOITZKOWIS-UHFFFAOYSA-N 2 2 341.484 3.097 20 0 EGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000571073229 317147378 /nfs/dbraw/zinc/14/73/78/317147378.db2.gz IRTWWIFANIDFMA-CZUORRHYSA-N 2 2 331.439 3.011 20 0 EGADLP COc1cccc2c(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c12 ZINC000571981653 317274142 /nfs/dbraw/zinc/27/41/42/317274142.db2.gz CRQOKBIDYLEOON-ROUUACIJSA-N 2 2 341.455 3.299 20 0 EGADLP C[N@@H+](Cc1cccc(O)c1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000572065352 317285575 /nfs/dbraw/zinc/28/55/75/317285575.db2.gz MAOOLOFQAVURJQ-NRFANRHFSA-N 2 2 340.467 3.115 20 0 EGADLP C[NH+](Cc1cccc(O)c1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000572065352 317285579 /nfs/dbraw/zinc/28/55/79/317285579.db2.gz MAOOLOFQAVURJQ-NRFANRHFSA-N 2 2 340.467 3.115 20 0 EGADLP C[NH+](Cc1cccc(O)c1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000572065352 317285580 /nfs/dbraw/zinc/28/55/80/317285580.db2.gz MAOOLOFQAVURJQ-NRFANRHFSA-N 2 2 340.467 3.115 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)CCC2 ZINC000573914173 317541927 /nfs/dbraw/zinc/54/19/27/317541927.db2.gz UZYKFWXPVKPSDE-CQSZACIVSA-N 2 2 346.862 3.341 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390959473 324285576 /nfs/dbraw/zinc/28/55/76/324285576.db2.gz LLNNLBGTTODQBJ-GOSISDBHSA-N 2 2 345.874 3.116 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390959473 324285577 /nfs/dbraw/zinc/28/55/77/324285577.db2.gz LLNNLBGTTODQBJ-GOSISDBHSA-N 2 2 345.874 3.116 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)n1C ZINC000578643804 324999123 /nfs/dbraw/zinc/99/91/23/324999123.db2.gz CUUIXYNKDKUKKX-UHFFFAOYSA-N 2 2 341.455 3.101 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000578662690 325000812 /nfs/dbraw/zinc/00/08/12/325000812.db2.gz SBIBQGWCPRAAHY-KVPLUYHFSA-N 2 2 346.515 3.464 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000578662690 325000813 /nfs/dbraw/zinc/00/08/13/325000813.db2.gz SBIBQGWCPRAAHY-KVPLUYHFSA-N 2 2 346.515 3.464 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000579763527 325155784 /nfs/dbraw/zinc/15/57/84/325155784.db2.gz BUHXIJSRDQVYCW-JWTNVVGKSA-N 2 2 325.456 3.300 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000579763527 325155788 /nfs/dbraw/zinc/15/57/88/325155788.db2.gz BUHXIJSRDQVYCW-JWTNVVGKSA-N 2 2 325.456 3.300 20 0 EGADLP COc1nc2ccccc2cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000579763527 325155790 /nfs/dbraw/zinc/15/57/90/325155790.db2.gz BUHXIJSRDQVYCW-JWTNVVGKSA-N 2 2 325.456 3.300 20 0 EGADLP COc1nc2ccccc2cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000579763527 325155793 /nfs/dbraw/zinc/15/57/93/325155793.db2.gz BUHXIJSRDQVYCW-JWTNVVGKSA-N 2 2 325.456 3.300 20 0 EGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000580431761 325249437 /nfs/dbraw/zinc/24/94/37/325249437.db2.gz AAYORDDFEYJVQV-CLCXKQKWSA-N 2 2 338.455 3.125 20 0 EGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000583316360 325513562 /nfs/dbraw/zinc/51/35/62/325513562.db2.gz RRBDQXYOBSMKGO-ZACQAIPSSA-N 2 2 333.524 3.356 20 0 EGADLP CN(Cc1sccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374807235 457711010 /nfs/dbraw/zinc/71/10/10/457711010.db2.gz AWTPBFJZDDHJRM-CQSZACIVSA-N 2 2 327.925 3.002 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000361771125 457848771 /nfs/dbraw/zinc/84/87/71/457848771.db2.gz WDMUNUBTKRDOCM-FRRDWIJNSA-N 2 2 326.868 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000361771125 457848777 /nfs/dbraw/zinc/84/87/77/457848777.db2.gz WDMUNUBTKRDOCM-FRRDWIJNSA-N 2 2 326.868 3.491 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000173432869 455282371 /nfs/dbraw/zinc/28/23/71/455282371.db2.gz MAZXXRPHDIHETI-KGLIPLIRSA-N 2 2 341.293 3.068 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173615009 455317326 /nfs/dbraw/zinc/31/73/26/455317326.db2.gz DSLGPIWUZOJKDM-AWEZNQCLSA-N 2 2 337.895 3.438 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000245542683 455325912 /nfs/dbraw/zinc/32/59/12/455325912.db2.gz RNQOXHDEXAKTIU-QLFBSQMISA-N 2 2 337.533 3.172 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000245542683 455325917 /nfs/dbraw/zinc/32/59/17/455325917.db2.gz RNQOXHDEXAKTIU-QLFBSQMISA-N 2 2 337.533 3.172 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)c[nH+]1 ZINC000245544827 455326450 /nfs/dbraw/zinc/32/64/50/455326450.db2.gz BSYVCWHVROXOHL-XUVXKRRUSA-N 2 2 337.467 3.369 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173921678 455341894 /nfs/dbraw/zinc/34/18/94/455341894.db2.gz KKFZZDZUUKQRGP-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173921678 455341897 /nfs/dbraw/zinc/34/18/97/455341897.db2.gz KKFZZDZUUKQRGP-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173921678 455341903 /nfs/dbraw/zinc/34/19/03/455341903.db2.gz KKFZZDZUUKQRGP-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173921678 455341907 /nfs/dbraw/zinc/34/19/07/455341907.db2.gz KKFZZDZUUKQRGP-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000030651857 453837433 /nfs/dbraw/zinc/83/74/33/453837433.db2.gz VSIUNVXILOYMSW-UHFFFAOYSA-N 2 2 334.423 3.180 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245756225 455374039 /nfs/dbraw/zinc/37/40/39/455374039.db2.gz YRKFFEHDZOQCSD-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245756225 455374043 /nfs/dbraw/zinc/37/40/43/455374043.db2.gz YRKFFEHDZOQCSD-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OCC(C)C ZINC000067500823 453936119 /nfs/dbraw/zinc/93/61/19/453936119.db2.gz MZRUIECYGHUAKN-MRXNPFEDSA-N 2 2 331.460 3.352 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000076001548 453947992 /nfs/dbraw/zinc/94/79/92/453947992.db2.gz DGMFMALKALKLPJ-JLAWEPINSA-N 2 2 349.563 3.220 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000076001548 453947996 /nfs/dbraw/zinc/94/79/96/453947996.db2.gz DGMFMALKALKLPJ-JLAWEPINSA-N 2 2 349.563 3.220 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000076004605 453948697 /nfs/dbraw/zinc/94/86/97/453948697.db2.gz WSVNYTAITKRHCQ-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000076004605 453948700 /nfs/dbraw/zinc/94/87/00/453948700.db2.gz WSVNYTAITKRHCQ-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc([C@H](C)OCC)no2)CC1 ZINC000076730470 454030772 /nfs/dbraw/zinc/03/07/72/454030772.db2.gz URHBCYBMSALGAS-HNNXBMFYSA-N 2 2 338.496 3.111 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc([C@H](C)OCC)no2)CC1 ZINC000076730470 454030776 /nfs/dbraw/zinc/03/07/76/454030776.db2.gz URHBCYBMSALGAS-HNNXBMFYSA-N 2 2 338.496 3.111 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000076897935 454047412 /nfs/dbraw/zinc/04/74/12/454047412.db2.gz XYFGOORYYXBZGG-GFCCVEGCSA-N 2 2 348.821 3.142 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000089369302 454142299 /nfs/dbraw/zinc/14/22/99/454142299.db2.gz CMAIIYAXTNVHIV-QGZVFWFLSA-N 2 2 342.487 3.102 20 0 EGADLP COc1cc(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)c(SC)cc1OC ZINC000089428602 454148488 /nfs/dbraw/zinc/14/84/88/454148488.db2.gz JIJBBSHTVBGCRS-HNNXBMFYSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)c(SC)cc1OC ZINC000089428602 454148492 /nfs/dbraw/zinc/14/84/92/454148492.db2.gz JIJBBSHTVBGCRS-HNNXBMFYSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)c(SC)cc1OC ZINC000089428602 454148496 /nfs/dbraw/zinc/14/84/96/454148496.db2.gz JIJBBSHTVBGCRS-HNNXBMFYSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)c(SC)cc1OC ZINC000089428602 454148500 /nfs/dbraw/zinc/14/85/00/454148500.db2.gz JIJBBSHTVBGCRS-HNNXBMFYSA-N 2 2 338.517 3.342 20 0 EGADLP COc1ccc(CCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000130253280 454184556 /nfs/dbraw/zinc/18/45/56/454184556.db2.gz HZBOOXYKEBGKNW-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP COc1cc2c(cc1OC)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000070974228 454190899 /nfs/dbraw/zinc/19/08/99/454190899.db2.gz JWMMHAKNEDDWTL-UHFFFAOYSA-N 2 2 349.434 3.448 20 0 EGADLP COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000070974228 454190908 /nfs/dbraw/zinc/19/09/08/454190908.db2.gz JWMMHAKNEDDWTL-UHFFFAOYSA-N 2 2 349.434 3.448 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926265 454236898 /nfs/dbraw/zinc/23/68/98/454236898.db2.gz NJEINDBUNCQUOX-CYBMUJFWSA-N 2 2 338.377 3.322 20 0 EGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000131370632 454248799 /nfs/dbraw/zinc/24/87/99/454248799.db2.gz GMHZUABUHDIZKQ-GOSISDBHSA-N 2 2 340.895 3.064 20 0 EGADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000605921622 460631136 /nfs/dbraw/zinc/63/11/36/460631136.db2.gz ZYPFLTVVKMAEBL-QGZVFWFLSA-N 2 2 341.459 3.081 20 0 EGADLP c1coc(-c2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cs2)c1 ZINC000131936426 454300110 /nfs/dbraw/zinc/30/01/10/454300110.db2.gz MOEMYFWEGXFWTO-OAHLLOKOSA-N 2 2 327.409 3.451 20 0 EGADLP c1coc(-c2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cs2)c1 ZINC000131936426 454300114 /nfs/dbraw/zinc/30/01/14/454300114.db2.gz MOEMYFWEGXFWTO-OAHLLOKOSA-N 2 2 327.409 3.451 20 0 EGADLP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090764992 454339375 /nfs/dbraw/zinc/33/93/75/454339375.db2.gz UZKCRJKUILSMLK-AWEZNQCLSA-N 2 2 328.460 3.044 20 0 EGADLP Clc1ccccc1OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090772606 454339787 /nfs/dbraw/zinc/33/97/87/454339787.db2.gz ZMTBYSNHMYGWHN-UHFFFAOYSA-N 2 2 345.874 3.368 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000090772198 454339805 /nfs/dbraw/zinc/33/98/05/454339805.db2.gz XPYSXQPZTRPDGI-OAQYLSRUSA-N 2 2 340.467 3.477 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000090852417 454346371 /nfs/dbraw/zinc/34/63/71/454346371.db2.gz REZBIACXLPJZFN-IEBWSBKVSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000090852417 454346376 /nfs/dbraw/zinc/34/63/76/454346376.db2.gz REZBIACXLPJZFN-IEBWSBKVSA-N 2 2 338.499 3.290 20 0 EGADLP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936700 454351723 /nfs/dbraw/zinc/35/17/23/454351723.db2.gz XJUKJFRVKWGJMV-SUYBPPKGSA-N 2 2 328.859 3.487 20 0 EGADLP COCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936700 454351726 /nfs/dbraw/zinc/35/17/26/454351726.db2.gz XJUKJFRVKWGJMV-SUYBPPKGSA-N 2 2 328.859 3.487 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974866 454373458 /nfs/dbraw/zinc/37/34/58/454373458.db2.gz OOSXBCZLHAGCEA-AABGKKOBSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974866 454373461 /nfs/dbraw/zinc/37/34/61/454373461.db2.gz OOSXBCZLHAGCEA-AABGKKOBSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974866 454373464 /nfs/dbraw/zinc/37/34/64/454373464.db2.gz OOSXBCZLHAGCEA-AABGKKOBSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974866 454373469 /nfs/dbraw/zinc/37/34/69/454373469.db2.gz OOSXBCZLHAGCEA-AABGKKOBSA-N 2 2 349.563 3.364 20 0 EGADLP C[N@@H+]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000097052126 454398443 /nfs/dbraw/zinc/39/84/43/454398443.db2.gz XJJBBQQKDNXKMA-UHFFFAOYSA-N 2 2 326.400 3.043 20 0 EGADLP C[N@H+]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000097052126 454398446 /nfs/dbraw/zinc/39/84/46/454398446.db2.gz XJJBBQQKDNXKMA-UHFFFAOYSA-N 2 2 326.400 3.043 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091960656 454495200 /nfs/dbraw/zinc/49/52/00/454495200.db2.gz QHIPPMNGVDIHDB-WMLDXEAASA-N 2 2 329.444 3.292 20 0 EGADLP COc1cc(C)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091960656 454495203 /nfs/dbraw/zinc/49/52/03/454495203.db2.gz QHIPPMNGVDIHDB-WMLDXEAASA-N 2 2 329.444 3.292 20 0 EGADLP CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000134492736 454550818 /nfs/dbraw/zinc/55/08/18/454550818.db2.gz MKDUOAVOVAOZIP-LJQANCHMSA-N 2 2 336.439 3.040 20 0 EGADLP CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000134492736 454550823 /nfs/dbraw/zinc/55/08/23/454550823.db2.gz MKDUOAVOVAOZIP-LJQANCHMSA-N 2 2 336.439 3.040 20 0 EGADLP COc1cc2c(c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c1)O[C@@H](C)C2 ZINC000092648372 454599620 /nfs/dbraw/zinc/59/96/20/454599620.db2.gz AKRIZBAGVOZBAT-AWEZNQCLSA-N 2 2 327.428 3.052 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000134870725 454601229 /nfs/dbraw/zinc/60/12/29/454601229.db2.gz UIPJHBKQSHEGKZ-PBHICJAKSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000134870725 454601233 /nfs/dbraw/zinc/60/12/33/454601233.db2.gz UIPJHBKQSHEGKZ-PBHICJAKSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000134870725 454601235 /nfs/dbraw/zinc/60/12/35/454601235.db2.gz UIPJHBKQSHEGKZ-PBHICJAKSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000134870725 454601238 /nfs/dbraw/zinc/60/12/38/454601238.db2.gz UIPJHBKQSHEGKZ-PBHICJAKSA-N 2 2 348.512 3.292 20 0 EGADLP Cc1nc2[nH]ccc2c(NCCc2[nH+]ccn2Cc2ccccc2)[nH+]1 ZINC000080768101 454631695 /nfs/dbraw/zinc/63/16/95/454631695.db2.gz QUBFUEMZQWSEAO-UHFFFAOYSA-N 2 2 332.411 3.166 20 0 EGADLP COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123446036 454637625 /nfs/dbraw/zinc/63/76/25/454637625.db2.gz LCDAZLGFFYHYBY-SFHVURJKSA-N 2 2 336.451 3.094 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002070 454646538 /nfs/dbraw/zinc/64/65/38/454646538.db2.gz HHWHPZLLFLYGPT-ZWKOTPCHSA-N 2 2 335.536 3.116 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933793 454650652 /nfs/dbraw/zinc/65/06/52/454650652.db2.gz LCLDMRDIBXCQTJ-CABCVRRESA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933793 454650653 /nfs/dbraw/zinc/65/06/53/454650653.db2.gz LCLDMRDIBXCQTJ-CABCVRRESA-N 2 2 342.443 3.015 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960904 454659263 /nfs/dbraw/zinc/65/92/63/454659263.db2.gz PODNNHMNWLTZJL-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960904 454659267 /nfs/dbraw/zinc/65/92/67/454659267.db2.gz PODNNHMNWLTZJL-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000080961681 454659638 /nfs/dbraw/zinc/65/96/38/454659638.db2.gz SNAOKAAEJSXCSR-OAHLLOKOSA-N 2 2 338.411 3.453 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)cc1 ZINC000080961681 454659642 /nfs/dbraw/zinc/65/96/42/454659642.db2.gz SNAOKAAEJSXCSR-OAHLLOKOSA-N 2 2 338.411 3.453 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000075007829 454673573 /nfs/dbraw/zinc/67/35/73/454673573.db2.gz WVCGTIZWMKDMSR-UHFFFAOYSA-N 2 2 337.508 3.295 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000093300681 454700555 /nfs/dbraw/zinc/70/05/55/454700555.db2.gz MHUASBDOQXZWCB-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCO2 ZINC000152773721 454723168 /nfs/dbraw/zinc/72/31/68/454723168.db2.gz QUTMFXSYPXJJOA-SFHVURJKSA-N 2 2 325.456 3.438 20 0 EGADLP C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161789624 454724477 /nfs/dbraw/zinc/72/44/77/454724477.db2.gz JEYVRQIFFRLJHF-HNNXBMFYSA-N 2 2 327.428 3.209 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000152780387 454725050 /nfs/dbraw/zinc/72/50/50/454725050.db2.gz XNTSCMITTPGZHO-CQSZACIVSA-N 2 2 330.501 3.448 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000162278549 454764576 /nfs/dbraw/zinc/76/45/76/454764576.db2.gz AEMRWUFPGZKYDX-MRXNPFEDSA-N 2 2 327.476 3.174 20 0 EGADLP CCOc1c(OC)cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125274845 454809693 /nfs/dbraw/zinc/80/96/93/454809693.db2.gz SXHNVQNRTWISAY-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125274845 454809695 /nfs/dbraw/zinc/80/96/95/454809695.db2.gz SXHNVQNRTWISAY-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877594 454812470 /nfs/dbraw/zinc/81/24/70/454812470.db2.gz HEZDLBGGOCXKOC-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877594 454812475 /nfs/dbraw/zinc/81/24/75/454812475.db2.gz HEZDLBGGOCXKOC-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139877594 454812477 /nfs/dbraw/zinc/81/24/77/454812477.db2.gz HEZDLBGGOCXKOC-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139877594 454812480 /nfs/dbraw/zinc/81/24/80/454812480.db2.gz HEZDLBGGOCXKOC-CKEIUWERSA-N 2 2 335.879 3.083 20 0 EGADLP CC(C)CCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177031763 454814303 /nfs/dbraw/zinc/81/43/03/454814303.db2.gz GLKHFKOHPFBJLS-UHFFFAOYSA-N 2 2 328.460 3.294 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000125501982 454827470 /nfs/dbraw/zinc/82/74/70/454827470.db2.gz BRWZQQUZNOVGRD-CQSZACIVSA-N 2 2 346.393 3.020 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000125501982 454827474 /nfs/dbraw/zinc/82/74/74/454827474.db2.gz BRWZQQUZNOVGRD-CQSZACIVSA-N 2 2 346.393 3.020 20 0 EGADLP CC[C@@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000177158665 454830242 /nfs/dbraw/zinc/83/02/42/454830242.db2.gz LDOITOGLBSQIBA-SFHVURJKSA-N 2 2 345.531 3.021 20 0 EGADLP Fc1ccc(F)c(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000163556542 454855319 /nfs/dbraw/zinc/85/53/19/454855319.db2.gz AYOOMUVBTIUTNP-UHFFFAOYSA-N 2 2 338.321 3.101 20 0 EGADLP c1ccc(NC[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]c1 ZINC000154041850 454859651 /nfs/dbraw/zinc/85/96/51/454859651.db2.gz PFEFUCJAFGTBGA-CQSZACIVSA-N 2 2 327.432 3.056 20 0 EGADLP c1ccc(NC[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]c1 ZINC000154041850 454859654 /nfs/dbraw/zinc/85/96/54/454859654.db2.gz PFEFUCJAFGTBGA-CQSZACIVSA-N 2 2 327.432 3.056 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150763792 454888324 /nfs/dbraw/zinc/88/83/24/454888324.db2.gz VGHMQIZIKYNABG-JKSUJKDBSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150763792 454888328 /nfs/dbraw/zinc/88/83/28/454888328.db2.gz VGHMQIZIKYNABG-JKSUJKDBSA-N 2 2 347.528 3.153 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150837148 454899573 /nfs/dbraw/zinc/89/95/73/454899573.db2.gz VSKBRINNVMVOMF-JKSUJKDBSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150837148 454899577 /nfs/dbraw/zinc/89/95/77/454899577.db2.gz VSKBRINNVMVOMF-JKSUJKDBSA-N 2 2 326.444 3.215 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000150853238 454901900 /nfs/dbraw/zinc/90/19/00/454901900.db2.gz REZSQGALKBBJHR-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000150853238 454901904 /nfs/dbraw/zinc/90/19/04/454901904.db2.gz REZSQGALKBBJHR-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)c1 ZINC000165977547 454906493 /nfs/dbraw/zinc/90/64/93/454906493.db2.gz FPOOEODXYHFGOS-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550167 454914021 /nfs/dbraw/zinc/91/40/21/454914021.db2.gz AKXLNEPSSXBWSX-DGCLKSJQSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550167 454914023 /nfs/dbraw/zinc/91/40/23/454914023.db2.gz AKXLNEPSSXBWSX-DGCLKSJQSA-N 2 2 334.261 3.309 20 0 EGADLP CC(C)c1cccc2c1OCC[C@@H]2[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000166658787 454914381 /nfs/dbraw/zinc/91/43/81/454914381.db2.gz KXAWLEHGLLOOHS-LPHOPBHVSA-N 2 2 332.488 3.192 20 0 EGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000166886723 454916617 /nfs/dbraw/zinc/91/66/17/454916617.db2.gz JPPRZCVQAMRMHS-UHFFFAOYSA-N 2 2 335.411 3.055 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000151160127 454946386 /nfs/dbraw/zinc/94/63/86/454946386.db2.gz CCIUPPRUDGXXNF-CQSZACIVSA-N 2 2 327.407 3.257 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[nH]1 ZINC000114200155 454946523 /nfs/dbraw/zinc/94/65/23/454946523.db2.gz FLSGPXAAFWJVPI-UHFFFAOYSA-N 2 2 330.435 3.297 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000151284625 454963034 /nfs/dbraw/zinc/96/30/34/454963034.db2.gz YENBUAHKRKYOSN-KXBFYZLASA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000151284625 454963037 /nfs/dbraw/zinc/96/30/37/454963037.db2.gz YENBUAHKRKYOSN-KXBFYZLASA-N 2 2 349.482 3.029 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000178719023 454969346 /nfs/dbraw/zinc/96/93/46/454969346.db2.gz HJIPBTQGGUYCQY-JKSUJKDBSA-N 2 2 338.455 3.342 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2)o1 ZINC000151336821 454970771 /nfs/dbraw/zinc/97/07/71/454970771.db2.gz RIULWPWIPBVTSW-FUHWJXTLSA-N 2 2 328.456 3.444 20 0 EGADLP Cc1nc(C[N@H+]2CCCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC000116261169 455049986 /nfs/dbraw/zinc/04/99/86/455049986.db2.gz CTGUUDMWGCSUGS-UHFFFAOYSA-N 2 2 345.516 3.386 20 0 EGADLP Cc1nc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC000116261169 455049989 /nfs/dbraw/zinc/04/99/89/455049989.db2.gz CTGUUDMWGCSUGS-UHFFFAOYSA-N 2 2 345.516 3.386 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179639671 455063676 /nfs/dbraw/zinc/06/36/76/455063676.db2.gz ZLEIJHIFFQIHFF-MRXNPFEDSA-N 2 2 334.423 3.185 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179639671 455063678 /nfs/dbraw/zinc/06/36/78/455063678.db2.gz ZLEIJHIFFQIHFF-MRXNPFEDSA-N 2 2 334.423 3.185 20 0 EGADLP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000156278884 455100416 /nfs/dbraw/zinc/10/04/16/455100416.db2.gz JUAXHKHJUAQGAV-RXVVDRJESA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000156278884 455100420 /nfs/dbraw/zinc/10/04/20/455100420.db2.gz JUAXHKHJUAQGAV-RXVVDRJESA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156313992 455103937 /nfs/dbraw/zinc/10/39/37/455103937.db2.gz IVSDXAFFJMXHOS-YOEHRIQHSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156313992 455103939 /nfs/dbraw/zinc/10/39/39/455103939.db2.gz IVSDXAFFJMXHOS-YOEHRIQHSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156313867 455103951 /nfs/dbraw/zinc/10/39/51/455103951.db2.gz IVSDXAFFJMXHOS-PBHICJAKSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156313867 455103955 /nfs/dbraw/zinc/10/39/55/455103955.db2.gz IVSDXAFFJMXHOS-PBHICJAKSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000156391774 455113217 /nfs/dbraw/zinc/11/32/17/455113217.db2.gz MZKUZWNNQCPKLK-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000156391774 455113218 /nfs/dbraw/zinc/11/32/18/455113218.db2.gz MZKUZWNNQCPKLK-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042255 455121253 /nfs/dbraw/zinc/12/12/53/455121253.db2.gz XAYOFDNUIZIGLA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042255 455121257 /nfs/dbraw/zinc/12/12/57/455121257.db2.gz XAYOFDNUIZIGLA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042255 455121261 /nfs/dbraw/zinc/12/12/61/455121261.db2.gz XAYOFDNUIZIGLA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042255 455121266 /nfs/dbraw/zinc/12/12/66/455121266.db2.gz XAYOFDNUIZIGLA-HNNXBMFYSA-N 2 2 332.879 3.299 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156488844 455124464 /nfs/dbraw/zinc/12/44/64/455124464.db2.gz ISCFOIMGFQQAPQ-KEYYUXOJSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156488844 455124467 /nfs/dbraw/zinc/12/44/67/455124467.db2.gz ISCFOIMGFQQAPQ-KEYYUXOJSA-N 2 2 346.862 3.447 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180063575 455125643 /nfs/dbraw/zinc/12/56/43/455125643.db2.gz RHUWNKJEJYHGJM-HXUWFJFHSA-N 2 2 344.478 3.359 20 0 EGADLP Fc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000156706177 455145777 /nfs/dbraw/zinc/14/57/77/455145777.db2.gz XGNFCFDJQXPZOV-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Fc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000156706177 455145778 /nfs/dbraw/zinc/14/57/78/455145778.db2.gz XGNFCFDJQXPZOV-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000156784807 455150278 /nfs/dbraw/zinc/15/02/78/455150278.db2.gz GJUNSZMGMAOSSB-BXWFABGCSA-N 2 2 329.488 3.193 20 0 EGADLP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000156784807 455150279 /nfs/dbraw/zinc/15/02/79/455150279.db2.gz GJUNSZMGMAOSSB-BXWFABGCSA-N 2 2 329.488 3.193 20 0 EGADLP Fc1ccccc1OC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000180310905 455156987 /nfs/dbraw/zinc/15/69/87/455156987.db2.gz APARJNONPNSRQF-SFHVURJKSA-N 2 2 325.387 3.432 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182809009 455169571 /nfs/dbraw/zinc/16/95/71/455169571.db2.gz VJWFNMPOASIHJK-MOPGFXCFSA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182809009 455169572 /nfs/dbraw/zinc/16/95/72/455169572.db2.gz VJWFNMPOASIHJK-MOPGFXCFSA-N 2 2 326.488 3.025 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180458653 455173875 /nfs/dbraw/zinc/17/38/75/455173875.db2.gz KWBFVLLPONNTRP-JXFKEZNVSA-N 2 2 344.478 3.359 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180458653 455173878 /nfs/dbraw/zinc/17/38/78/455173878.db2.gz KWBFVLLPONNTRP-JXFKEZNVSA-N 2 2 344.478 3.359 20 0 EGADLP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157268626 455178499 /nfs/dbraw/zinc/17/84/99/455178499.db2.gz ZWGNFJWOWMGUHQ-IBGZPJMESA-N 2 2 329.488 3.138 20 0 EGADLP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157268626 455178501 /nfs/dbraw/zinc/17/85/01/455178501.db2.gz ZWGNFJWOWMGUHQ-IBGZPJMESA-N 2 2 329.488 3.138 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000237561698 455195712 /nfs/dbraw/zinc/19/57/12/455195712.db2.gz VQSPGNJBMGQMBD-STQMWFEESA-N 2 2 345.830 3.350 20 0 EGADLP CCc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000264362304 455197546 /nfs/dbraw/zinc/19/75/46/455197546.db2.gz BVKLSAXOHNPHDL-INIZCTEOSA-N 2 2 337.427 3.409 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237711960 455210849 /nfs/dbraw/zinc/21/08/49/455210849.db2.gz VIHIBBUZHJPDHK-FPOVZHCZSA-N 2 2 329.532 3.363 20 0 EGADLP CCc1cccc(C)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000157633852 455215598 /nfs/dbraw/zinc/21/55/98/455215598.db2.gz JXWOQDUDVVDKDT-UHFFFAOYSA-N 2 2 346.519 3.047 20 0 EGADLP CCc1cccc(C)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157633852 455215604 /nfs/dbraw/zinc/21/56/04/455215604.db2.gz JXWOQDUDVVDKDT-UHFFFAOYSA-N 2 2 346.519 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000245464669 455308733 /nfs/dbraw/zinc/30/87/33/455308733.db2.gz YAESQAMASYPUNV-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000245464669 455308737 /nfs/dbraw/zinc/30/87/37/455308737.db2.gz YAESQAMASYPUNV-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000245641297 455346334 /nfs/dbraw/zinc/34/63/34/455346334.db2.gz HUVMNGUDNUUAIA-MNOVXSKESA-N 2 2 332.311 3.288 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000245641297 455346339 /nfs/dbraw/zinc/34/63/39/455346339.db2.gz HUVMNGUDNUUAIA-MNOVXSKESA-N 2 2 332.311 3.288 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245740461 455370284 /nfs/dbraw/zinc/37/02/84/455370284.db2.gz XDMFVFPMTCZCMA-YLJYHZDGSA-N 2 2 335.455 3.211 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245740461 455370290 /nfs/dbraw/zinc/37/02/90/455370290.db2.gz XDMFVFPMTCZCMA-YLJYHZDGSA-N 2 2 335.455 3.211 20 0 EGADLP OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788648 455381593 /nfs/dbraw/zinc/38/15/93/455381593.db2.gz QAMRAENPJYEFQA-NHCUHLMSSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788648 455381599 /nfs/dbraw/zinc/38/15/99/455381599.db2.gz QAMRAENPJYEFQA-NHCUHLMSSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828965 455388875 /nfs/dbraw/zinc/38/88/75/455388875.db2.gz ZVLTUJQPWFQIKS-SIKLNZKXSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828965 455388877 /nfs/dbraw/zinc/38/88/77/455388877.db2.gz ZVLTUJQPWFQIKS-SIKLNZKXSA-N 2 2 349.478 3.141 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965008 455419082 /nfs/dbraw/zinc/41/90/82/455419082.db2.gz FZROQMUBOQBNLU-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965008 455419086 /nfs/dbraw/zinc/41/90/86/455419086.db2.gz FZROQMUBOQBNLU-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965008 455419088 /nfs/dbraw/zinc/41/90/88/455419088.db2.gz FZROQMUBOQBNLU-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965008 455419093 /nfs/dbraw/zinc/41/90/93/455419093.db2.gz FZROQMUBOQBNLU-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246195474 455445367 /nfs/dbraw/zinc/44/53/67/455445367.db2.gz MVOMCCDVOSIFDD-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246195474 455445372 /nfs/dbraw/zinc/44/53/72/455445372.db2.gz MVOMCCDVOSIFDD-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP CS[C@@H]1CCCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000246280850 455463863 /nfs/dbraw/zinc/46/38/63/455463863.db2.gz AXDXGQMXTKRTIC-IAGOWNOFSA-N 2 2 347.528 3.232 20 0 EGADLP CS[C@@H]1CCCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000246280850 455463868 /nfs/dbraw/zinc/46/38/68/455463868.db2.gz AXDXGQMXTKRTIC-IAGOWNOFSA-N 2 2 347.528 3.232 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266922732 455476246 /nfs/dbraw/zinc/47/62/46/455476246.db2.gz MKCXBYMLNMBRCH-HOCLYGCPSA-N 2 2 337.427 3.324 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266922732 455476252 /nfs/dbraw/zinc/47/62/52/455476252.db2.gz MKCXBYMLNMBRCH-HOCLYGCPSA-N 2 2 337.427 3.324 20 0 EGADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000175663897 455478868 /nfs/dbraw/zinc/47/88/68/455478868.db2.gz MPBXFKGYSCXTIQ-UHFFFAOYSA-N 2 2 337.427 3.002 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266946329 455480364 /nfs/dbraw/zinc/48/03/64/455480364.db2.gz SKRPXDKPJIYJKQ-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266946329 455480369 /nfs/dbraw/zinc/48/03/69/455480369.db2.gz SKRPXDKPJIYJKQ-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP CN(CC[NH+](C)C)C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000267113077 455502894 /nfs/dbraw/zinc/50/28/94/455502894.db2.gz NXSITUCUWZHSIK-UHFFFAOYSA-N 2 2 333.819 3.161 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247110992 455560739 /nfs/dbraw/zinc/56/07/39/455560739.db2.gz ACSKEJCYTIDUPS-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247110992 455560741 /nfs/dbraw/zinc/56/07/41/455560741.db2.gz ACSKEJCYTIDUPS-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110992 455560748 /nfs/dbraw/zinc/56/07/48/455560748.db2.gz ACSKEJCYTIDUPS-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110992 455560751 /nfs/dbraw/zinc/56/07/51/455560751.db2.gz ACSKEJCYTIDUPS-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Oc1cc(F)cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000185464996 455561947 /nfs/dbraw/zinc/56/19/47/455561947.db2.gz UKUHBTFFVKQTRD-UHFFFAOYSA-N 2 2 328.431 3.328 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000247137379 455564579 /nfs/dbraw/zinc/56/45/79/455564579.db2.gz SBQYMYXLYIDBSF-OXQOHEQNSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000247137379 455564582 /nfs/dbraw/zinc/56/45/82/455564582.db2.gz SBQYMYXLYIDBSF-OXQOHEQNSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247174349 455569116 /nfs/dbraw/zinc/56/91/16/455569116.db2.gz YRCACFPEQHOPEK-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247174349 455569118 /nfs/dbraw/zinc/56/91/18/455569118.db2.gz YRCACFPEQHOPEK-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247174349 455569121 /nfs/dbraw/zinc/56/91/21/455569121.db2.gz YRCACFPEQHOPEK-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247174349 455569122 /nfs/dbraw/zinc/56/91/22/455569122.db2.gz YRCACFPEQHOPEK-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000247234714 455575959 /nfs/dbraw/zinc/57/59/59/455575959.db2.gz YOBMKWKQTSMAEV-IZZBFERCSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000247234714 455575962 /nfs/dbraw/zinc/57/59/62/455575962.db2.gz YOBMKWKQTSMAEV-IZZBFERCSA-N 2 2 345.531 3.477 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247254927 455578742 /nfs/dbraw/zinc/57/87/42/455578742.db2.gz FBFJAFOCCWHSGS-IRXDYDNUSA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247254927 455578748 /nfs/dbraw/zinc/57/87/48/455578748.db2.gz FBFJAFOCCWHSGS-IRXDYDNUSA-N 2 2 331.504 3.240 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185604659 455584333 /nfs/dbraw/zinc/58/43/33/455584333.db2.gz WMCAVAIOJKMEIL-CQSZACIVSA-N 2 2 329.419 3.242 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000247334706 455589664 /nfs/dbraw/zinc/58/96/64/455589664.db2.gz VRAPMNMHTXJCBZ-YJBOKZPZSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000247334706 455589666 /nfs/dbraw/zinc/58/96/66/455589666.db2.gz VRAPMNMHTXJCBZ-YJBOKZPZSA-N 2 2 326.444 3.022 20 0 EGADLP COc1ccc([C@@H](C[NH+](C)C)NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000283910130 455610835 /nfs/dbraw/zinc/61/08/35/455610835.db2.gz IGLKVAQJRFKTHD-LJQANCHMSA-N 2 2 338.455 3.044 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000271386305 455618763 /nfs/dbraw/zinc/61/87/63/455618763.db2.gz SCUUXFUKRXJFDA-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000271386305 455618765 /nfs/dbraw/zinc/61/87/65/455618765.db2.gz SCUUXFUKRXJFDA-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1OC ZINC000271386305 455618768 /nfs/dbraw/zinc/61/87/68/455618768.db2.gz SCUUXFUKRXJFDA-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)c1OC ZINC000271386305 455618769 /nfs/dbraw/zinc/61/87/69/455618769.db2.gz SCUUXFUKRXJFDA-UKRRQHHQSA-N 2 2 338.879 3.273 20 0 EGADLP Cc1nsc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000271394989 455621858 /nfs/dbraw/zinc/62/18/58/455621858.db2.gz ZNEDVTCOMPQSQB-UHFFFAOYSA-N 2 2 331.489 3.368 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)c1ccccc1 ZINC000284035852 455627061 /nfs/dbraw/zinc/62/70/61/455627061.db2.gz JMUXXPUULLYKIH-WMZOPIPTSA-N 2 2 329.492 3.074 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247672075 455636087 /nfs/dbraw/zinc/63/60/87/455636087.db2.gz QYWVTOKDILETNP-SOLBZPMBSA-N 2 2 326.444 3.102 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247672075 455636091 /nfs/dbraw/zinc/63/60/91/455636091.db2.gz QYWVTOKDILETNP-SOLBZPMBSA-N 2 2 326.444 3.102 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247701664 455639958 /nfs/dbraw/zinc/63/99/58/455639958.db2.gz YAJLBCHOBATNFB-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247701664 455639961 /nfs/dbraw/zinc/63/99/61/455639961.db2.gz YAJLBCHOBATNFB-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247701664 455639962 /nfs/dbraw/zinc/63/99/62/455639962.db2.gz YAJLBCHOBATNFB-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247701664 455639965 /nfs/dbraw/zinc/63/99/65/455639965.db2.gz YAJLBCHOBATNFB-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)no1 ZINC000284250696 455658179 /nfs/dbraw/zinc/65/81/79/455658179.db2.gz VOHOBYKWINYDBJ-XLIONFOSSA-N 2 2 342.487 3.012 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)no1 ZINC000284250696 455658185 /nfs/dbraw/zinc/65/81/85/455658185.db2.gz VOHOBYKWINYDBJ-XLIONFOSSA-N 2 2 342.487 3.012 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000271505492 455663524 /nfs/dbraw/zinc/66/35/24/455663524.db2.gz MVXDUUOETZDDDT-GBESFXJTSA-N 2 2 338.442 3.383 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247977874 455665094 /nfs/dbraw/zinc/66/50/94/455665094.db2.gz LOZXCDGDPRFGKH-ZBFHGGJFSA-N 2 2 333.501 3.304 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248067268 455677402 /nfs/dbraw/zinc/67/74/02/455677402.db2.gz MGVJZLNCTPJESI-QEEYODRMSA-N 2 2 327.472 3.333 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248067268 455677404 /nfs/dbraw/zinc/67/74/04/455677404.db2.gz MGVJZLNCTPJESI-QEEYODRMSA-N 2 2 327.472 3.333 20 0 EGADLP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271568990 455686648 /nfs/dbraw/zinc/68/66/48/455686648.db2.gz VICQYSUOXBCVNP-HNAYVOBHSA-N 2 2 339.414 3.266 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181407 455695406 /nfs/dbraw/zinc/69/54/06/455695406.db2.gz WMQKQQZZZGNVCZ-HYVNUMGLSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181407 455695412 /nfs/dbraw/zinc/69/54/12/455695412.db2.gz WMQKQQZZZGNVCZ-HYVNUMGLSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248181407 455695415 /nfs/dbraw/zinc/69/54/15/455695415.db2.gz WMQKQQZZZGNVCZ-HYVNUMGLSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248181407 455695419 /nfs/dbraw/zinc/69/54/19/455695419.db2.gz WMQKQQZZZGNVCZ-HYVNUMGLSA-N 2 2 326.444 3.214 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199748 455698448 /nfs/dbraw/zinc/69/84/48/455698448.db2.gz YHHIPHOAIYDSSY-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248199748 455698453 /nfs/dbraw/zinc/69/84/53/455698453.db2.gz YHHIPHOAIYDSSY-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248199748 455698460 /nfs/dbraw/zinc/69/84/60/455698460.db2.gz YHHIPHOAIYDSSY-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248199748 455698465 /nfs/dbraw/zinc/69/84/65/455698465.db2.gz YHHIPHOAIYDSSY-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268823224 455714154 /nfs/dbraw/zinc/71/41/54/455714154.db2.gz HMWQSQZSDZNSDL-MQYXYMALSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268823224 455714160 /nfs/dbraw/zinc/71/41/60/455714160.db2.gz HMWQSQZSDZNSDL-MQYXYMALSA-N 2 2 336.479 3.287 20 0 EGADLP Cc1cc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc[nH+]1 ZINC000277948492 455717683 /nfs/dbraw/zinc/71/76/83/455717683.db2.gz JJTNRSVVSRWECX-UHFFFAOYSA-N 2 2 326.400 3.169 20 0 EGADLP CO[C@@]1(C)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667645 455722820 /nfs/dbraw/zinc/72/28/20/455722820.db2.gz GRQUKFYFIDZKTM-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@@]1(C)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667645 455722828 /nfs/dbraw/zinc/72/28/28/455722828.db2.gz GRQUKFYFIDZKTM-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@@]1(C)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667645 455722834 /nfs/dbraw/zinc/72/28/34/455722834.db2.gz GRQUKFYFIDZKTM-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@@]1(C)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667645 455722837 /nfs/dbraw/zinc/72/28/37/455722837.db2.gz GRQUKFYFIDZKTM-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672437 455727972 /nfs/dbraw/zinc/72/79/72/455727972.db2.gz CISSADRJNWPLAC-QGZVFWFLSA-N 2 2 341.503 3.318 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672437 455727976 /nfs/dbraw/zinc/72/79/76/455727976.db2.gz CISSADRJNWPLAC-QGZVFWFLSA-N 2 2 341.503 3.318 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000271708112 455729031 /nfs/dbraw/zinc/72/90/31/455729031.db2.gz AHFSKNPJQIYMSY-KRWDZBQOSA-N 2 2 348.512 3.231 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612647790 460689022 /nfs/dbraw/zinc/68/90/22/460689022.db2.gz CZBASZCZECCOJU-IAGOWNOFSA-N 2 2 338.455 3.067 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000271772866 455753558 /nfs/dbraw/zinc/75/35/58/455753558.db2.gz FSEJCDCAUNQRHK-AWEZNQCLSA-N 2 2 338.879 3.408 20 0 EGADLP Brc1cncc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000284886377 455757109 /nfs/dbraw/zinc/75/71/09/455757109.db2.gz TZISPZKPVMSFLB-OAHLLOKOSA-N 2 2 335.249 3.172 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cs1 ZINC000186437302 455767802 /nfs/dbraw/zinc/76/78/02/455767802.db2.gz OIXFWLCNMYODLH-AWEZNQCLSA-N 2 2 348.516 3.453 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000271830800 455778629 /nfs/dbraw/zinc/77/86/29/455778629.db2.gz QYMBQNSEWPVTBP-SJORKVTESA-N 2 2 332.488 3.186 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135532 455795600 /nfs/dbraw/zinc/79/56/00/455795600.db2.gz RAFIDRAEDVSFEN-WMLDXEAASA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135532 455795608 /nfs/dbraw/zinc/79/56/08/455795608.db2.gz RAFIDRAEDVSFEN-WMLDXEAASA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135532 455795615 /nfs/dbraw/zinc/79/56/15/455795615.db2.gz RAFIDRAEDVSFEN-WMLDXEAASA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135532 455795619 /nfs/dbraw/zinc/79/56/19/455795619.db2.gz RAFIDRAEDVSFEN-WMLDXEAASA-N 2 2 328.485 3.121 20 0 EGADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271878769 455796628 /nfs/dbraw/zinc/79/66/28/455796628.db2.gz OSYAVVAQTDBGAC-HNNXBMFYSA-N 2 2 330.472 3.493 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252486789 455810218 /nfs/dbraw/zinc/81/02/18/455810218.db2.gz NGFWHLVZFSFNQJ-DZKIICNBSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000252486789 455810220 /nfs/dbraw/zinc/81/02/20/455810220.db2.gz NGFWHLVZFSFNQJ-DZKIICNBSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000252486789 455810224 /nfs/dbraw/zinc/81/02/24/455810224.db2.gz NGFWHLVZFSFNQJ-DZKIICNBSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000252486789 455810228 /nfs/dbraw/zinc/81/02/28/455810228.db2.gz NGFWHLVZFSFNQJ-DZKIICNBSA-N 2 2 332.444 3.076 20 0 EGADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283150 455816801 /nfs/dbraw/zinc/81/68/01/455816801.db2.gz AQNGGVDMEVFTPD-FXAWDEMLSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283150 455816805 /nfs/dbraw/zinc/81/68/05/455816805.db2.gz AQNGGVDMEVFTPD-FXAWDEMLSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283150 455816808 /nfs/dbraw/zinc/81/68/08/455816808.db2.gz AQNGGVDMEVFTPD-FXAWDEMLSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283150 455816811 /nfs/dbraw/zinc/81/68/11/455816811.db2.gz AQNGGVDMEVFTPD-FXAWDEMLSA-N 2 2 342.483 3.217 20 0 EGADLP CC[N@@H+](Cc1cncc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000253426732 455845413 /nfs/dbraw/zinc/84/54/13/455845413.db2.gz OLZNOUMKOCDBHR-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1cncc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000253426732 455845418 /nfs/dbraw/zinc/84/54/18/455845418.db2.gz OLZNOUMKOCDBHR-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258168 455894851 /nfs/dbraw/zinc/89/48/51/455894851.db2.gz AJVDFGVRNPYDFS-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258168 455894855 /nfs/dbraw/zinc/89/48/55/455894855.db2.gz AJVDFGVRNPYDFS-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258168 455894859 /nfs/dbraw/zinc/89/48/59/455894859.db2.gz AJVDFGVRNPYDFS-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258168 455894863 /nfs/dbraw/zinc/89/48/63/455894863.db2.gz AJVDFGVRNPYDFS-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000285705743 455900817 /nfs/dbraw/zinc/90/08/17/455900817.db2.gz PHDNQMNMJURAIP-AWEZNQCLSA-N 2 2 334.416 3.174 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000285705743 455900821 /nfs/dbraw/zinc/90/08/21/455900821.db2.gz PHDNQMNMJURAIP-AWEZNQCLSA-N 2 2 334.416 3.174 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+](C)CCC[N@H+](C)Cc2ccco2)o1 ZINC000285705743 455900823 /nfs/dbraw/zinc/90/08/23/455900823.db2.gz PHDNQMNMJURAIP-AWEZNQCLSA-N 2 2 334.416 3.174 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000285705743 455900826 /nfs/dbraw/zinc/90/08/26/455900826.db2.gz PHDNQMNMJURAIP-AWEZNQCLSA-N 2 2 334.416 3.174 20 0 EGADLP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000272303352 455906428 /nfs/dbraw/zinc/90/64/28/455906428.db2.gz UWRNBDGFJRNCFI-INIZCTEOSA-N 2 2 329.444 3.208 20 0 EGADLP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000272303352 455906432 /nfs/dbraw/zinc/90/64/32/455906432.db2.gz UWRNBDGFJRNCFI-INIZCTEOSA-N 2 2 329.444 3.208 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261594546 455910312 /nfs/dbraw/zinc/91/03/12/455910312.db2.gz ZVQPTUCHJMAVAZ-YLJYHZDGSA-N 2 2 340.467 3.122 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)c1ccco1 ZINC000195011255 455912032 /nfs/dbraw/zinc/91/20/32/455912032.db2.gz ZPFLVGUCDBWFPU-AEFFLSMTSA-N 2 2 339.443 3.160 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261611300 455912692 /nfs/dbraw/zinc/91/26/92/455912692.db2.gz CDKGXSDFLWRRIE-HXUWFJFHSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261611300 455912695 /nfs/dbraw/zinc/91/26/95/455912695.db2.gz CDKGXSDFLWRRIE-HXUWFJFHSA-N 2 2 339.439 3.088 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)s1 ZINC000285815569 455921717 /nfs/dbraw/zinc/92/17/17/455921717.db2.gz WTSGKNYDTGQNNQ-HNSVSWJLSA-N 2 2 349.544 3.045 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)s1 ZINC000285815569 455921722 /nfs/dbraw/zinc/92/17/22/455921722.db2.gz WTSGKNYDTGQNNQ-HNSVSWJLSA-N 2 2 349.544 3.045 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261657042 455921949 /nfs/dbraw/zinc/92/19/49/455921949.db2.gz KDWQYGDRSXXLDD-QGZVFWFLSA-N 2 2 346.272 3.183 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000261657042 455921954 /nfs/dbraw/zinc/92/19/54/455921954.db2.gz KDWQYGDRSXXLDD-QGZVFWFLSA-N 2 2 346.272 3.183 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261729476 455936475 /nfs/dbraw/zinc/93/64/75/455936475.db2.gz HMZHYMKZJHQWDC-UHFFFAOYSA-N 2 2 337.423 3.090 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270479380 455965701 /nfs/dbraw/zinc/96/57/01/455965701.db2.gz KLEHRKPJAPPYBU-NWDGAFQWSA-N 2 2 346.302 3.195 20 0 EGADLP COC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000187900179 455966503 /nfs/dbraw/zinc/96/65/03/455966503.db2.gz YKIJZTVYGXIECH-LEWJYISDSA-N 2 2 346.515 3.163 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262000926 455983466 /nfs/dbraw/zinc/98/34/66/455983466.db2.gz UCIZIGYHSBGDCT-HXUWFJFHSA-N 2 2 341.503 3.312 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262000926 455983472 /nfs/dbraw/zinc/98/34/72/455983472.db2.gz UCIZIGYHSBGDCT-HXUWFJFHSA-N 2 2 341.503 3.312 20 0 EGADLP CC(C)([NH3+])C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000262011126 455985289 /nfs/dbraw/zinc/98/52/89/455985289.db2.gz VDJLPWCUYJPQRH-UHFFFAOYSA-N 2 2 327.266 3.030 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286357390 456032253 /nfs/dbraw/zinc/03/22/53/456032253.db2.gz FUXUKEHXDWHANX-CJNGLKHVSA-N 2 2 326.843 3.098 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286357390 456032257 /nfs/dbraw/zinc/03/22/57/456032257.db2.gz FUXUKEHXDWHANX-CJNGLKHVSA-N 2 2 326.843 3.098 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000262709206 456054997 /nfs/dbraw/zinc/05/49/97/456054997.db2.gz ONDQZVAMMJGIND-KBXCAEBGSA-N 2 2 337.895 3.063 20 0 EGADLP C[NH+](C)CC1(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000281040693 456117766 /nfs/dbraw/zinc/11/77/66/456117766.db2.gz IYAHSARXJJJSRC-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c(C)c(C)[nH+]1 ZINC000301456169 456120072 /nfs/dbraw/zinc/12/00/72/456120072.db2.gz WWNZPQFOOMSVKP-UHFFFAOYSA-N 2 2 336.892 3.439 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)c2ccccc12 ZINC000297269521 456167730 /nfs/dbraw/zinc/16/77/30/456167730.db2.gz KQMUYYBVYASJPF-SJORKVTESA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)c2ccccc12 ZINC000297269521 456167735 /nfs/dbraw/zinc/16/77/35/456167735.db2.gz KQMUYYBVYASJPF-SJORKVTESA-N 2 2 342.483 3.346 20 0 EGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000333218489 456180646 /nfs/dbraw/zinc/18/06/46/456180646.db2.gz VLFUEJJDJKXENZ-QUYZETPZSA-N 2 2 344.503 3.029 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1)C(C)C ZINC000263648825 456180994 /nfs/dbraw/zinc/18/09/94/456180994.db2.gz FHWKJKVKWAPEGR-UHFFFAOYSA-N 2 2 340.471 3.154 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1)C(C)C ZINC000263648825 456180997 /nfs/dbraw/zinc/18/09/97/456180997.db2.gz FHWKJKVKWAPEGR-UHFFFAOYSA-N 2 2 340.471 3.154 20 0 EGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ncccc3N(C)C)CC2)C1 ZINC000289922847 456181515 /nfs/dbraw/zinc/18/15/15/456181515.db2.gz VBBJCPXTCDTDRZ-FUHWJXTLSA-N 2 2 330.520 3.280 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000263655870 456183542 /nfs/dbraw/zinc/18/35/42/456183542.db2.gz HGYIZQDLVLVHED-UHFFFAOYSA-N 2 2 340.471 3.155 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000263655870 456183545 /nfs/dbraw/zinc/18/35/45/456183545.db2.gz HGYIZQDLVLVHED-UHFFFAOYSA-N 2 2 340.471 3.155 20 0 EGADLP Cn1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c(C(C)(C)C)n1 ZINC000289960947 456196281 /nfs/dbraw/zinc/19/62/81/456196281.db2.gz YMPIYQOAOVSGNC-UHFFFAOYSA-N 2 2 332.492 3.265 20 0 EGADLP Cn1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c(C(C)(C)C)n1 ZINC000289960947 456196286 /nfs/dbraw/zinc/19/62/86/456196286.db2.gz YMPIYQOAOVSGNC-UHFFFAOYSA-N 2 2 332.492 3.265 20 0 EGADLP Cn1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c(C(C)(C)C)n1 ZINC000289960947 456196292 /nfs/dbraw/zinc/19/62/92/456196292.db2.gz YMPIYQOAOVSGNC-UHFFFAOYSA-N 2 2 332.492 3.265 20 0 EGADLP Cn1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c(C(C)(C)C)n1 ZINC000289960947 456196298 /nfs/dbraw/zinc/19/62/98/456196298.db2.gz YMPIYQOAOVSGNC-UHFFFAOYSA-N 2 2 332.492 3.265 20 0 EGADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465035 456226833 /nfs/dbraw/zinc/22/68/33/456226833.db2.gz QMMYYOXJSWPMQV-WFASDCNBSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465035 456226841 /nfs/dbraw/zinc/22/68/41/456226841.db2.gz QMMYYOXJSWPMQV-WFASDCNBSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465035 456226843 /nfs/dbraw/zinc/22/68/43/456226843.db2.gz QMMYYOXJSWPMQV-WFASDCNBSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465035 456226851 /nfs/dbraw/zinc/22/68/51/456226851.db2.gz QMMYYOXJSWPMQV-WFASDCNBSA-N 2 2 326.868 3.216 20 0 EGADLP CC1CC[NH+](CCCNc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301831781 456227672 /nfs/dbraw/zinc/22/76/72/456227672.db2.gz IQSWVGIDOLQCPB-UHFFFAOYSA-N 2 2 330.480 3.115 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000237080479 456228828 /nfs/dbraw/zinc/22/88/28/456228828.db2.gz PUAWROPVVSWYRO-CQSZACIVSA-N 2 2 327.255 3.453 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000237080479 456228834 /nfs/dbraw/zinc/22/88/34/456228834.db2.gz PUAWROPVVSWYRO-CQSZACIVSA-N 2 2 327.255 3.453 20 0 EGADLP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237138167 456237206 /nfs/dbraw/zinc/23/72/06/456237206.db2.gz IKJKOTYGLADPDF-AWEZNQCLSA-N 2 2 345.830 3.351 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000620648647 460720489 /nfs/dbraw/zinc/72/04/89/460720489.db2.gz HNAVQVOYVMHKRX-SFHVURJKSA-N 2 2 334.423 3.246 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000620648647 460720493 /nfs/dbraw/zinc/72/04/93/460720493.db2.gz HNAVQVOYVMHKRX-SFHVURJKSA-N 2 2 334.423 3.246 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCc1ccccc1 ZINC000237202593 456246534 /nfs/dbraw/zinc/24/65/34/456246534.db2.gz MLABGDZBVSAQAE-LJQANCHMSA-N 2 2 340.467 3.458 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCc1ccccc1 ZINC000237202593 456246539 /nfs/dbraw/zinc/24/65/39/456246539.db2.gz MLABGDZBVSAQAE-LJQANCHMSA-N 2 2 340.467 3.458 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCc1c[nH+]cn1C ZINC000297584790 456258023 /nfs/dbraw/zinc/25/80/23/456258023.db2.gz DUHFZPMPBQGPFO-UHFFFAOYSA-N 2 2 337.471 3.206 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCc1c[nH+]cn1C ZINC000297584790 456258026 /nfs/dbraw/zinc/25/80/26/456258026.db2.gz DUHFZPMPBQGPFO-UHFFFAOYSA-N 2 2 337.471 3.206 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000352761072 456283902 /nfs/dbraw/zinc/28/39/02/456283902.db2.gz UAFXXZSLMITXFM-YJBOKZPZSA-N 2 2 345.512 3.462 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1c(Cl)cnn1C ZINC000275681307 456285534 /nfs/dbraw/zinc/28/55/34/456285534.db2.gz HBNKLMBCQMDBCM-AWEZNQCLSA-N 2 2 343.862 3.396 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1c(Cl)cnn1C ZINC000275681307 456285538 /nfs/dbraw/zinc/28/55/38/456285538.db2.gz HBNKLMBCQMDBCM-AWEZNQCLSA-N 2 2 343.862 3.396 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000342872041 456286139 /nfs/dbraw/zinc/28/61/39/456286139.db2.gz BWPWIABLDFHFHD-UHFFFAOYSA-N 2 2 336.842 3.196 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000352765635 456287152 /nfs/dbraw/zinc/28/71/52/456287152.db2.gz QGCFSEXUVXHIRM-AEFFLSMTSA-N 2 2 349.475 3.354 20 0 EGADLP Cn1cnc2cc(C[N@H+](Cc3ccco3)C3CC[NH+](C)CC3)ccc21 ZINC000290336941 456297193 /nfs/dbraw/zinc/29/71/93/456297193.db2.gz FCRVZDHWVCPNIX-UHFFFAOYSA-N 2 2 338.455 3.263 20 0 EGADLP Cn1cnc2cc(C[N@@H+](Cc3ccco3)C3CC[NH+](C)CC3)ccc21 ZINC000290336941 456297201 /nfs/dbraw/zinc/29/72/01/456297201.db2.gz FCRVZDHWVCPNIX-UHFFFAOYSA-N 2 2 338.455 3.263 20 0 EGADLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340184311 456298138 /nfs/dbraw/zinc/29/81/38/456298138.db2.gz PLTRVBBBMWRYOB-FCEWJHQRSA-N 2 2 348.487 3.013 20 0 EGADLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340184311 456298139 /nfs/dbraw/zinc/29/81/39/456298139.db2.gz PLTRVBBBMWRYOB-FCEWJHQRSA-N 2 2 348.487 3.013 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190868 456302696 /nfs/dbraw/zinc/30/26/96/456302696.db2.gz IVLSKAJOSAJTHK-RTWAWAEBSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190868 456302700 /nfs/dbraw/zinc/30/27/00/456302700.db2.gz IVLSKAJOSAJTHK-RTWAWAEBSA-N 3 2 327.516 3.286 20 0 EGADLP CC(C)n1cncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336788884 456307855 /nfs/dbraw/zinc/30/78/55/456307855.db2.gz HTKFEKPITRQNNH-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336788884 456307859 /nfs/dbraw/zinc/30/78/59/456307859.db2.gz HTKFEKPITRQNNH-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336788884 456307865 /nfs/dbraw/zinc/30/78/65/456307865.db2.gz HTKFEKPITRQNNH-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336788884 456307871 /nfs/dbraw/zinc/30/78/71/456307871.db2.gz HTKFEKPITRQNNH-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000340210260 456316844 /nfs/dbraw/zinc/31/68/44/456316844.db2.gz OGKVIOZXNRKEJD-LBPRGKRZSA-N 2 2 329.473 3.204 20 0 EGADLP COc1cccc2c(N3CC[NH+](Cc4cccc(O)c4)CC3)cc[nH+]c12 ZINC000302382913 456337622 /nfs/dbraw/zinc/33/76/22/456337622.db2.gz AAIKEQMTGGTMEB-UHFFFAOYSA-N 2 2 349.434 3.271 20 0 EGADLP c1nc2ccccn2c1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822960 456338374 /nfs/dbraw/zinc/33/83/74/456338374.db2.gz IZEQUPWEZOBBLB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1nc2ccccn2c1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822960 456338384 /nfs/dbraw/zinc/33/83/84/456338384.db2.gz IZEQUPWEZOBBLB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1nc2ccccn2c1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822960 456338392 /nfs/dbraw/zinc/33/83/92/456338392.db2.gz IZEQUPWEZOBBLB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1nc2ccccn2c1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822960 456338399 /nfs/dbraw/zinc/33/83/99/456338399.db2.gz IZEQUPWEZOBBLB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000337274594 456342924 /nfs/dbraw/zinc/34/29/24/456342924.db2.gz PVELUXKBRSDIAF-GOSISDBHSA-N 2 2 331.504 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000337274594 456342932 /nfs/dbraw/zinc/34/29/32/456342932.db2.gz PVELUXKBRSDIAF-GOSISDBHSA-N 2 2 331.504 3.357 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2)c1Cl ZINC000290498779 456344647 /nfs/dbraw/zinc/34/46/47/456344647.db2.gz PAFYPQCKJMNYDF-UHFFFAOYSA-N 2 2 343.862 3.303 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2)c1Cl ZINC000290498779 456344652 /nfs/dbraw/zinc/34/46/52/456344652.db2.gz PAFYPQCKJMNYDF-UHFFFAOYSA-N 2 2 343.862 3.303 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000290501540 456346853 /nfs/dbraw/zinc/34/68/53/456346853.db2.gz WPETYZUOFGVYHD-VKJFTORMSA-N 2 2 345.512 3.197 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000290501540 456346858 /nfs/dbraw/zinc/34/68/58/456346858.db2.gz WPETYZUOFGVYHD-VKJFTORMSA-N 2 2 345.512 3.197 20 0 EGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352836356 456351366 /nfs/dbraw/zinc/35/13/66/456351366.db2.gz KLNBYKBAPLEKEH-GJZGRUSLSA-N 2 2 348.434 3.234 20 0 EGADLP Cn1c[nH+]cc1CC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000347760878 456355246 /nfs/dbraw/zinc/35/52/46/456355246.db2.gz VAJVKFPFKBSNFP-FQEVSTJZSA-N 2 2 345.450 3.229 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000347786805 456368916 /nfs/dbraw/zinc/36/89/16/456368916.db2.gz PRRBSUVNVWYYSP-UHFFFAOYSA-N 2 2 333.382 3.171 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000347786805 456368920 /nfs/dbraw/zinc/36/89/20/456368920.db2.gz PRRBSUVNVWYYSP-UHFFFAOYSA-N 2 2 333.382 3.171 20 0 EGADLP CCCn1cc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000343088939 456399001 /nfs/dbraw/zinc/39/90/01/456399001.db2.gz ALYDHNGXOAPFDK-OAQYLSRUSA-N 2 2 340.515 3.466 20 0 EGADLP CCCn1cc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000343088939 456399004 /nfs/dbraw/zinc/39/90/04/456399004.db2.gz ALYDHNGXOAPFDK-OAQYLSRUSA-N 2 2 340.515 3.466 20 0 EGADLP Cc1cc(CNC(=O)Nc2c(C)cc[nH+]c2C)cc(N2CCCC2)[nH+]1 ZINC000290718439 456413954 /nfs/dbraw/zinc/41/39/54/456413954.db2.gz OKWDDEILUKJYIC-UHFFFAOYSA-N 2 2 339.443 3.324 20 0 EGADLP COC(C)(C)[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000340477046 456484647 /nfs/dbraw/zinc/48/46/47/456484647.db2.gz DNPMGIQFBLFQMK-IAGOWNOFSA-N 2 2 334.504 3.290 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375775 456423493 /nfs/dbraw/zinc/42/34/93/456423493.db2.gz VCDCETLULIVDLA-GKYDQMIMSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375775 456423499 /nfs/dbraw/zinc/42/34/99/456423499.db2.gz VCDCETLULIVDLA-GKYDQMIMSA-N 3 2 327.516 3.428 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298379374 456441148 /nfs/dbraw/zinc/44/11/48/456441148.db2.gz MKPPQULXWGOOMX-LJQANCHMSA-N 2 2 340.471 3.170 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298379374 456441154 /nfs/dbraw/zinc/44/11/54/456441154.db2.gz MKPPQULXWGOOMX-LJQANCHMSA-N 2 2 340.471 3.170 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H]1SC ZINC000298557652 456489760 /nfs/dbraw/zinc/48/97/60/456489760.db2.gz VOJALWTVHUHOBW-JQHSSLGASA-N 2 2 333.501 3.233 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1Cl ZINC000298804546 456543998 /nfs/dbraw/zinc/54/39/98/456543998.db2.gz NPQWTBFUBSVELO-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@@H+]1C ZINC000337812321 456562765 /nfs/dbraw/zinc/56/27/65/456562765.db2.gz MDUZKBOJEMWKPP-PBHICJAKSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@H+]1C ZINC000337812321 456562768 /nfs/dbraw/zinc/56/27/68/456562768.db2.gz MDUZKBOJEMWKPP-PBHICJAKSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277415 456591471 /nfs/dbraw/zinc/59/14/71/456591471.db2.gz LYOUNLSMDQQXEO-NVXWUHKLSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277415 456591476 /nfs/dbraw/zinc/59/14/76/456591476.db2.gz LYOUNLSMDQQXEO-NVXWUHKLSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000348277415 456591483 /nfs/dbraw/zinc/59/14/83/456591483.db2.gz LYOUNLSMDQQXEO-NVXWUHKLSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000348277415 456591487 /nfs/dbraw/zinc/59/14/87/456591487.db2.gz LYOUNLSMDQQXEO-NVXWUHKLSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348304721 456609534 /nfs/dbraw/zinc/60/95/34/456609534.db2.gz IGEDBOPBCFNPGK-PMACEKPBSA-N 2 2 346.478 3.207 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348318221 456618866 /nfs/dbraw/zinc/61/88/66/456618866.db2.gz FMCNKKLCONIDIG-DQLDELGASA-N 2 2 345.531 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348318221 456618874 /nfs/dbraw/zinc/61/88/74/456618874.db2.gz FMCNKKLCONIDIG-DQLDELGASA-N 2 2 345.531 3.149 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000348325880 456624064 /nfs/dbraw/zinc/62/40/64/456624064.db2.gz XOGFJFIGXWCWLU-FUHWJXTLSA-N 2 2 345.535 3.481 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000353305022 456626149 /nfs/dbraw/zinc/62/61/49/456626149.db2.gz ADZGLENJDHSWTA-WMLDXEAASA-N 2 2 338.492 3.045 20 0 EGADLP COc1cc2c(cc1OC)C[N@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000353366412 456649603 /nfs/dbraw/zinc/64/96/03/456649603.db2.gz YJHGHLHUWAUEOM-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP COc1cc2c(cc1OC)C[N@@H+](CCCc1ccc(C)[nH+]c1)CC2 ZINC000353366412 456649609 /nfs/dbraw/zinc/64/96/09/456649609.db2.gz YJHGHLHUWAUEOM-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP CC(C)[NH+]1CCC(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000277091264 456678040 /nfs/dbraw/zinc/67/80/40/456678040.db2.gz KMZYRXKYTYGINQ-HXUWFJFHSA-N 2 2 347.572 3.066 20 0 EGADLP CC(C)[NH+]1CCC(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277091264 456678046 /nfs/dbraw/zinc/67/80/46/456678046.db2.gz KMZYRXKYTYGINQ-HXUWFJFHSA-N 2 2 347.572 3.066 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114537 456686772 /nfs/dbraw/zinc/68/67/72/456686772.db2.gz HIVBRVVGCZPZQE-CZUORRHYSA-N 2 2 330.394 3.155 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114537 456686777 /nfs/dbraw/zinc/68/67/77/456686777.db2.gz HIVBRVVGCZPZQE-CZUORRHYSA-N 2 2 330.394 3.155 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277166774 456704795 /nfs/dbraw/zinc/70/47/95/456704795.db2.gz KNYSZYJIOAZSGE-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277166774 456704801 /nfs/dbraw/zinc/70/48/01/456704801.db2.gz KNYSZYJIOAZSGE-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cccc(NCCNC(=O)c2ccccc2Oc2cc[nH+]cc2)[nH+]1 ZINC000338228549 456719434 /nfs/dbraw/zinc/71/94/34/456719434.db2.gz GWFLSVINRIWZOW-UHFFFAOYSA-N 2 2 348.406 3.419 20 0 EGADLP Cc1ccc(C(C)C)c2c1[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCO2 ZINC000338230878 456720616 /nfs/dbraw/zinc/72/06/16/456720616.db2.gz PWXLSVZUSRPWJT-QFBILLFUSA-N 2 2 346.515 3.500 20 0 EGADLP c1cn([C@H]2CCc3ccccc3[C@@H]2[NH2+]Cc2c[nH]c3nccnc23)c[nH+]1 ZINC000291697401 456723939 /nfs/dbraw/zinc/72/39/39/456723939.db2.gz YRCVKQNZMQIXGQ-HKUYNNGSSA-N 2 2 344.422 3.173 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000353535738 456741253 /nfs/dbraw/zinc/74/12/53/456741253.db2.gz LEEBFEWLMSDNNG-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000353535738 456741259 /nfs/dbraw/zinc/74/12/59/456741259.db2.gz LEEBFEWLMSDNNG-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCOCC1 ZINC000353535993 456741763 /nfs/dbraw/zinc/74/17/63/456741763.db2.gz LTVCEJZAWLPMQF-OXJNMPFZSA-N 2 2 332.463 3.320 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353546122 456748593 /nfs/dbraw/zinc/74/85/93/456748593.db2.gz UTXCBWQVXBIKAO-QGZVFWFLSA-N 2 2 349.519 3.118 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353546122 456748597 /nfs/dbraw/zinc/74/85/97/456748597.db2.gz UTXCBWQVXBIKAO-QGZVFWFLSA-N 2 2 349.519 3.118 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353546122 456748605 /nfs/dbraw/zinc/74/86/05/456748605.db2.gz UTXCBWQVXBIKAO-QGZVFWFLSA-N 2 2 349.519 3.118 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353546122 456748612 /nfs/dbraw/zinc/74/86/12/456748612.db2.gz UTXCBWQVXBIKAO-QGZVFWFLSA-N 2 2 349.519 3.118 20 0 EGADLP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1)C(C)C ZINC000353571897 456771322 /nfs/dbraw/zinc/77/13/22/456771322.db2.gz IYVFWTRBEOQDKH-KRWDZBQOSA-N 2 2 337.508 3.067 20 0 EGADLP CC(C)N(C(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1)C(C)C ZINC000353571897 456771330 /nfs/dbraw/zinc/77/13/30/456771330.db2.gz IYVFWTRBEOQDKH-KRWDZBQOSA-N 2 2 337.508 3.067 20 0 EGADLP CC(C)N(C(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1)C(C)C ZINC000353571897 456771333 /nfs/dbraw/zinc/77/13/33/456771333.db2.gz IYVFWTRBEOQDKH-KRWDZBQOSA-N 2 2 337.508 3.067 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1OCCc2sccc21 ZINC000291890529 456788776 /nfs/dbraw/zinc/78/87/76/456788776.db2.gz KLOWANVAQACVST-LIRRHRJNSA-N 2 2 343.496 3.404 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCCCC2 ZINC000344097521 456796780 /nfs/dbraw/zinc/79/67/80/456796780.db2.gz RZOFIJYQGJHKPX-MSOLQXFVSA-N 2 2 331.504 3.479 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344301935 456815129 /nfs/dbraw/zinc/81/51/29/456815129.db2.gz RWWCGNHKKVTWFB-GGPKGHCWSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344301935 456815135 /nfs/dbraw/zinc/81/51/35/456815135.db2.gz RWWCGNHKKVTWFB-GGPKGHCWSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000277420467 456819624 /nfs/dbraw/zinc/81/96/24/456819624.db2.gz APPNGKVBKPKIHZ-HIFRSBDPSA-N 2 2 348.384 3.156 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@H+]1Cc1ccccc1 ZINC000277420467 456819632 /nfs/dbraw/zinc/81/96/32/456819632.db2.gz APPNGKVBKPKIHZ-HIFRSBDPSA-N 2 2 348.384 3.156 20 0 EGADLP Cc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)nc[nH+]1 ZINC000301231049 456827651 /nfs/dbraw/zinc/82/76/51/456827651.db2.gz HQMOFTVOMNONOH-HZPDHXFCSA-N 2 2 326.444 3.006 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCc3ccccc3OC2)c[nH+]1 ZINC000353660174 456837385 /nfs/dbraw/zinc/83/73/85/456837385.db2.gz LZUDPBLQWDKREV-HXUWFJFHSA-N 2 2 333.435 3.415 20 0 EGADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000292071432 456846231 /nfs/dbraw/zinc/84/62/31/456846231.db2.gz LCOHGECQGDYOSU-AWEZNQCLSA-N 2 2 326.444 3.233 20 0 EGADLP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000292155445 456870201 /nfs/dbraw/zinc/87/02/01/456870201.db2.gz URBBXUKLCWAEDP-MRXNPFEDSA-N 2 2 338.455 3.357 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834528 456876687 /nfs/dbraw/zinc/87/66/87/456876687.db2.gz QSSFJVIBPQGHGP-PXNSSMCTSA-N 2 2 347.466 3.259 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834528 456876692 /nfs/dbraw/zinc/87/66/92/456876692.db2.gz QSSFJVIBPQGHGP-PXNSSMCTSA-N 2 2 347.466 3.259 20 0 EGADLP C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349334286 456946132 /nfs/dbraw/zinc/94/61/32/456946132.db2.gz SPONFHQRVXQMCU-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349334286 456946134 /nfs/dbraw/zinc/94/61/34/456946134.db2.gz SPONFHQRVXQMCU-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000349335503 456946679 /nfs/dbraw/zinc/94/66/79/456946679.db2.gz VACIUYSEHJTFAD-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000349335503 456946683 /nfs/dbraw/zinc/94/66/83/456946683.db2.gz VACIUYSEHJTFAD-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000349335503 456946684 /nfs/dbraw/zinc/94/66/84/456946684.db2.gz VACIUYSEHJTFAD-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000349335503 456946688 /nfs/dbraw/zinc/94/66/88/456946688.db2.gz VACIUYSEHJTFAD-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP C[S@@](=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000349406369 456963631 /nfs/dbraw/zinc/96/36/31/456963631.db2.gz LBJYVDNKEWRSPM-XMMPIXPASA-N 2 2 345.512 3.313 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(cc1SC)OCCO2 ZINC000349412349 456965740 /nfs/dbraw/zinc/96/57/40/456965740.db2.gz BYKXKZBBUNIBGH-UHFFFAOYSA-N 2 2 338.517 3.343 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cc1SC)OCCO2 ZINC000349412349 456965745 /nfs/dbraw/zinc/96/57/45/456965745.db2.gz BYKXKZBBUNIBGH-UHFFFAOYSA-N 2 2 338.517 3.343 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329965163 456968600 /nfs/dbraw/zinc/96/86/00/456968600.db2.gz UYCABLAVYWIXJD-NEPJUHHUSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329965163 456968607 /nfs/dbraw/zinc/96/86/07/456968607.db2.gz UYCABLAVYWIXJD-NEPJUHHUSA-N 2 2 329.429 3.462 20 0 EGADLP CC[C@H](CSC)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901259 456992475 /nfs/dbraw/zinc/99/24/75/456992475.db2.gz BUMNFQPISHVPSU-MOPGFXCFSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@H](CSC)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901259 456992478 /nfs/dbraw/zinc/99/24/78/456992478.db2.gz BUMNFQPISHVPSU-MOPGFXCFSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@H](CSC)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341901259 456992480 /nfs/dbraw/zinc/99/24/80/456992480.db2.gz BUMNFQPISHVPSU-MOPGFXCFSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@H](CSC)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341901259 456992482 /nfs/dbraw/zinc/99/24/82/456992482.db2.gz BUMNFQPISHVPSU-MOPGFXCFSA-N 2 2 336.545 3.351 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H]1C ZINC000354123840 457078845 /nfs/dbraw/zinc/07/88/45/457078845.db2.gz CZHREYIBILJAQD-WNHJNPCNSA-N 2 2 332.488 3.165 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cscc3Br)C2)C1 ZINC000354165852 457103589 /nfs/dbraw/zinc/10/35/89/457103589.db2.gz IRRBPRPLQDQMRI-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cscc3Br)C2)C1 ZINC000354165852 457103596 /nfs/dbraw/zinc/10/35/96/457103596.db2.gz IRRBPRPLQDQMRI-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cscc3Br)C2)C1 ZINC000354165852 457103604 /nfs/dbraw/zinc/10/36/04/457103604.db2.gz IRRBPRPLQDQMRI-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cscc3Br)C2)C1 ZINC000354165852 457103609 /nfs/dbraw/zinc/10/36/09/457103609.db2.gz IRRBPRPLQDQMRI-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000359669447 457108436 /nfs/dbraw/zinc/10/84/36/457108436.db2.gz DBYHXMLZBWPSFD-UZLBHIALSA-N 2 2 326.488 3.319 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cc1O ZINC000359878300 457138103 /nfs/dbraw/zinc/13/81/03/457138103.db2.gz QQJXQKFDYHFLGH-MRXNPFEDSA-N 2 2 329.444 3.385 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cc1O ZINC000359878300 457138105 /nfs/dbraw/zinc/13/81/05/457138105.db2.gz QQJXQKFDYHFLGH-MRXNPFEDSA-N 2 2 329.444 3.385 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225626 457141473 /nfs/dbraw/zinc/14/14/73/457141473.db2.gz SEETVZCTPXUWMV-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225626 457141479 /nfs/dbraw/zinc/14/14/79/457141479.db2.gz SEETVZCTPXUWMV-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225626 457141481 /nfs/dbraw/zinc/14/14/81/457141481.db2.gz SEETVZCTPXUWMV-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000354225626 457141486 /nfs/dbraw/zinc/14/14/86/457141486.db2.gz SEETVZCTPXUWMV-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800573 457176983 /nfs/dbraw/zinc/17/69/83/457176983.db2.gz RUCYAJVUVKMCFD-FCEWJHQRSA-N 2 2 342.487 3.132 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800573 457176988 /nfs/dbraw/zinc/17/69/88/457176988.db2.gz RUCYAJVUVKMCFD-FCEWJHQRSA-N 2 2 342.487 3.132 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000356865297 457186151 /nfs/dbraw/zinc/18/61/51/457186151.db2.gz LIPAPAQKVLCHSP-HQRMLTQVSA-N 2 2 332.488 3.237 20 0 EGADLP Fc1cc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000347095564 457227680 /nfs/dbraw/zinc/22/76/80/457227680.db2.gz RSTSWKGTZAORIR-OAHLLOKOSA-N 2 2 336.794 3.406 20 0 EGADLP Fc1cc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000347095564 457227682 /nfs/dbraw/zinc/22/76/82/457227682.db2.gz RSTSWKGTZAORIR-OAHLLOKOSA-N 2 2 336.794 3.406 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347118906 457239128 /nfs/dbraw/zinc/23/91/28/457239128.db2.gz XSGPOQAEKJTFSU-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347118906 457239132 /nfs/dbraw/zinc/23/91/32/457239132.db2.gz XSGPOQAEKJTFSU-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP Cc1ccc(CCC[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c[nH+]1 ZINC000354485808 457252410 /nfs/dbraw/zinc/25/24/10/457252410.db2.gz YERZIGQYHSWRHJ-UHFFFAOYSA-N 2 2 331.504 3.387 20 0 EGADLP Cn1cc[nH+]c1[C@H](NCC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC000356976220 457253317 /nfs/dbraw/zinc/25/33/17/457253317.db2.gz CIYNEIYFGHTXMA-QGZVFWFLSA-N 2 2 330.451 3.113 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000339822304 457291897 /nfs/dbraw/zinc/29/18/97/457291897.db2.gz RKFFZTOOKICYSB-GOSISDBHSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000339822304 457291899 /nfs/dbraw/zinc/29/18/99/457291899.db2.gz RKFFZTOOKICYSB-GOSISDBHSA-N 2 2 339.483 3.495 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCC3CCCCC3)C2)CC1 ZINC000363339384 457297631 /nfs/dbraw/zinc/29/76/31/457297631.db2.gz VYEBPYCYHVFFHM-GOSISDBHSA-N 2 2 335.536 3.022 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCC3CCCCC3)C2)CC1 ZINC000363339384 457297637 /nfs/dbraw/zinc/29/76/37/457297637.db2.gz VYEBPYCYHVFFHM-GOSISDBHSA-N 2 2 335.536 3.022 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000363391898 457309060 /nfs/dbraw/zinc/30/90/60/457309060.db2.gz BCVQJNSJZIPQPH-AEFFLSMTSA-N 2 2 330.403 3.039 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000363391898 457309065 /nfs/dbraw/zinc/30/90/65/457309065.db2.gz BCVQJNSJZIPQPH-AEFFLSMTSA-N 2 2 330.403 3.039 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000357247345 457398890 /nfs/dbraw/zinc/39/88/90/457398890.db2.gz ZQWDQYXDQCYOPW-AWEZNQCLSA-N 2 2 326.444 3.144 20 0 EGADLP CCCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643213 457415713 /nfs/dbraw/zinc/41/57/13/457415713.db2.gz FPBONVUTSLYHGD-MJGOQNOKSA-N 2 2 326.488 3.436 20 0 EGADLP CCCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643213 457415719 /nfs/dbraw/zinc/41/57/19/457415719.db2.gz FPBONVUTSLYHGD-MJGOQNOKSA-N 2 2 326.488 3.436 20 0 EGADLP CC(C)c1cnc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000347447476 457434249 /nfs/dbraw/zinc/43/42/49/457434249.db2.gz NGRGMRGFIUVJQP-UHFFFAOYSA-N 2 2 336.549 3.261 20 0 EGADLP COC1CC([NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448697 457435431 /nfs/dbraw/zinc/43/54/31/457435431.db2.gz YPKMCIZQCZGDOZ-QROZZAMVSA-N 2 2 326.843 3.239 20 0 EGADLP COC1CC([NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448697 457435439 /nfs/dbraw/zinc/43/54/39/457435439.db2.gz YPKMCIZQCZGDOZ-QROZZAMVSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000357309852 457436415 /nfs/dbraw/zinc/43/64/15/457436415.db2.gz XUHVGGZIKZIKOK-LLVKDONJSA-N 2 2 331.217 3.116 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cscc1C(F)(F)F ZINC000356112750 457457234 /nfs/dbraw/zinc/45/72/34/457457234.db2.gz PFAUBXONJKDVHF-BPLDGKMQSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cscc1C(F)(F)F ZINC000356112750 457457239 /nfs/dbraw/zinc/45/72/39/457457239.db2.gz PFAUBXONJKDVHF-BPLDGKMQSA-N 2 2 348.434 3.450 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000352568213 457472669 /nfs/dbraw/zinc/47/26/69/457472669.db2.gz WOHBQGMHQMAOHC-GOSISDBHSA-N 2 2 328.435 3.321 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000397302122 457486173 /nfs/dbraw/zinc/48/61/73/457486173.db2.gz FFPNMPVUTGRUKL-BZPMIXESSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000397302122 457486182 /nfs/dbraw/zinc/48/61/82/457486182.db2.gz FFPNMPVUTGRUKL-BZPMIXESSA-N 2 2 334.851 3.195 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425347814 457508781 /nfs/dbraw/zinc/50/87/81/457508781.db2.gz MISOYENZGCQHNN-CALCHBBNSA-N 2 2 346.377 3.125 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425347814 457508784 /nfs/dbraw/zinc/50/87/84/457508784.db2.gz MISOYENZGCQHNN-CALCHBBNSA-N 2 2 346.377 3.125 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)n1C ZINC000425369134 457524119 /nfs/dbraw/zinc/52/41/19/457524119.db2.gz LFYJUCXTVXCVNF-UHFFFAOYSA-N 2 2 348.441 3.219 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043182 457536827 /nfs/dbraw/zinc/53/68/27/457536827.db2.gz CUBLFQZADCBIOG-HDICACEKSA-N 2 2 346.519 3.165 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1c[nH+]c2ccccn12 ZINC000347600678 457540036 /nfs/dbraw/zinc/54/00/36/457540036.db2.gz VNUMGSPXQHRIIH-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1c[nH+]c2ccccn12 ZINC000347600678 457540043 /nfs/dbraw/zinc/54/00/43/457540043.db2.gz VNUMGSPXQHRIIH-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP COC(=O)[C@H](CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421669 457546772 /nfs/dbraw/zinc/54/67/72/457546772.db2.gz OFQMGMCHXPHXGC-BHIYHBOVSA-N 2 2 341.455 3.113 20 0 EGADLP COC(=O)[C@H](CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421669 457546781 /nfs/dbraw/zinc/54/67/81/457546781.db2.gz OFQMGMCHXPHXGC-BHIYHBOVSA-N 2 2 341.455 3.113 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073842 457564954 /nfs/dbraw/zinc/56/49/54/457564954.db2.gz NNONIUMDEYESHZ-KRWDZBQOSA-N 2 2 340.471 3.403 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(-n2cccn2)cc1 ZINC000352751990 457582544 /nfs/dbraw/zinc/58/25/44/457582544.db2.gz WQPMUDZGJUJMHG-AWEZNQCLSA-N 2 2 341.484 3.241 20 0 EGADLP FC(F)(F)Oc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370259145 457601033 /nfs/dbraw/zinc/60/10/33/457601033.db2.gz BPISCVRRBBMIRO-UHFFFAOYSA-N 2 2 325.334 3.408 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361137613 457607716 /nfs/dbraw/zinc/60/77/16/457607716.db2.gz ZNSXZGSWHFQWDC-CJNGLKHVSA-N 2 2 334.414 3.110 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361137613 457607706 /nfs/dbraw/zinc/60/77/06/457607706.db2.gz ZNSXZGSWHFQWDC-CJNGLKHVSA-N 2 2 334.414 3.110 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000370310254 457616244 /nfs/dbraw/zinc/61/62/44/457616244.db2.gz YAZVEJGWVBRZJQ-YJBOKZPZSA-N 2 2 344.890 3.439 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000370310254 457616249 /nfs/dbraw/zinc/61/62/49/457616249.db2.gz YAZVEJGWVBRZJQ-YJBOKZPZSA-N 2 2 344.890 3.439 20 0 EGADLP CCCCC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330386 457620666 /nfs/dbraw/zinc/62/06/66/457620666.db2.gz SDEJWDKNQXPUFD-PKOBYXMFSA-N 2 2 337.552 3.124 20 0 EGADLP CCCCC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330386 457620670 /nfs/dbraw/zinc/62/06/70/457620670.db2.gz SDEJWDKNQXPUFD-PKOBYXMFSA-N 2 2 337.552 3.124 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000361221766 457652380 /nfs/dbraw/zinc/65/23/80/457652380.db2.gz VGPBXIZZVMZAJP-HXUWFJFHSA-N 2 2 330.516 3.487 20 0 EGADLP COC(=O)c1cc2cc(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)ccc2o1 ZINC000374582282 457665835 /nfs/dbraw/zinc/66/58/35/457665835.db2.gz COZQABQNMSBMSG-UHFFFAOYSA-N 2 2 342.439 3.280 20 0 EGADLP COC(=O)c1cc2cc(C[NH+]3CCC4(CCC[N@H+]4C)CC3)ccc2o1 ZINC000374582282 457665840 /nfs/dbraw/zinc/66/58/40/457665840.db2.gz COZQABQNMSBMSG-UHFFFAOYSA-N 2 2 342.439 3.280 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3Cc4ccccc4C[C@@H]3C)c2cc1C ZINC000357790697 457690592 /nfs/dbraw/zinc/69/05/92/457690592.db2.gz FHDSXOJMBKTUEG-FXAWDEMLSA-N 2 2 349.478 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3Cc4ccccc4C[C@@H]3C)c2cc1C ZINC000357790697 457690594 /nfs/dbraw/zinc/69/05/94/457690594.db2.gz FHDSXOJMBKTUEG-FXAWDEMLSA-N 2 2 349.478 3.461 20 0 EGADLP Clc1cccc2c1OC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000370671239 457697199 /nfs/dbraw/zinc/69/71/99/457697199.db2.gz OTDGDWKMCVWODR-GOSISDBHSA-N 2 2 343.858 3.423 20 0 EGADLP COc1ccc(OCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000361343514 457699987 /nfs/dbraw/zinc/69/99/87/457699987.db2.gz DOYNRYOPRDXNGK-UHFFFAOYSA-N 2 2 346.393 3.080 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361346246 457700999 /nfs/dbraw/zinc/70/09/99/457700999.db2.gz NARRVBLLQMCWGN-UYAOXDASSA-N 2 2 346.515 3.200 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000357838046 457706714 /nfs/dbraw/zinc/70/67/14/457706714.db2.gz VKOWDWSOQNMOEI-SJORKVTESA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000357838046 457706719 /nfs/dbraw/zinc/70/67/19/457706719.db2.gz VKOWDWSOQNMOEI-SJORKVTESA-N 2 2 340.471 3.031 20 0 EGADLP C[N@H+](Cc1sccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374807235 457711001 /nfs/dbraw/zinc/71/10/01/457711001.db2.gz AWTPBFJZDDHJRM-CQSZACIVSA-N 2 2 327.925 3.002 20 0 EGADLP C[N@@H+](Cc1sccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374807235 457711004 /nfs/dbraw/zinc/71/10/04/457711004.db2.gz AWTPBFJZDDHJRM-CQSZACIVSA-N 2 2 327.925 3.002 20 0 EGADLP CN(Cc1sccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374807235 457711008 /nfs/dbraw/zinc/71/10/08/457711008.db2.gz AWTPBFJZDDHJRM-CQSZACIVSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357860437 457715173 /nfs/dbraw/zinc/71/51/73/457715173.db2.gz XGHZWSRHFJWDOO-AZUAARDMSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357860437 457715177 /nfs/dbraw/zinc/71/51/77/457715177.db2.gz XGHZWSRHFJWDOO-AZUAARDMSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cncn2)cc1 ZINC000361482313 457745752 /nfs/dbraw/zinc/74/57/52/457745752.db2.gz WPDPDSKYBIXAAQ-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000358066038 457763805 /nfs/dbraw/zinc/76/38/05/457763805.db2.gz UIMXTFQKKUFIFY-QFBILLFUSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000358066038 457763810 /nfs/dbraw/zinc/76/38/10/457763810.db2.gz UIMXTFQKKUFIFY-QFBILLFUSA-N 2 2 343.446 3.100 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CCOC3CCCCCC3)CC2)nc1 ZINC000361525540 457770416 /nfs/dbraw/zinc/77/04/16/457770416.db2.gz NRTHYOKOIYBDCK-UHFFFAOYSA-N 2 2 331.504 3.375 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](C/C=C\c2ccncc2)CC1 ZINC000426145051 457778600 /nfs/dbraw/zinc/77/86/00/457778600.db2.gz HXALWTXOYMVFNS-CDFDFNMFSA-N 2 2 336.483 3.476 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](C/C=C\c2ccncc2)CC1 ZINC000426145051 457778605 /nfs/dbraw/zinc/77/86/05/457778605.db2.gz HXALWTXOYMVFNS-CDFDFNMFSA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](C/C=C\c2ccncc2)CC1 ZINC000426145051 457778611 /nfs/dbraw/zinc/77/86/11/457778611.db2.gz HXALWTXOYMVFNS-CDFDFNMFSA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](C/C=C\c2ccncc2)CC1 ZINC000426145051 457778616 /nfs/dbraw/zinc/77/86/16/457778616.db2.gz HXALWTXOYMVFNS-CDFDFNMFSA-N 2 2 336.483 3.476 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000358175573 457835538 /nfs/dbraw/zinc/83/55/38/457835538.db2.gz YUURWBSUBRQJCL-KBPBESRZSA-N 2 2 341.293 3.211 20 0 EGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000444002213 457838781 /nfs/dbraw/zinc/83/87/81/457838781.db2.gz DZLMJLZZPNILBS-IBGZPJMESA-N 2 2 332.419 3.020 20 0 EGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000444002215 457840080 /nfs/dbraw/zinc/84/00/80/457840080.db2.gz DZLMJLZZPNILBS-LJQANCHMSA-N 2 2 332.419 3.020 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000361771127 457849125 /nfs/dbraw/zinc/84/91/25/457849125.db2.gz WDMUNUBTKRDOCM-RWMBFGLXSA-N 2 2 326.868 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000361771127 457849130 /nfs/dbraw/zinc/84/91/30/457849130.db2.gz WDMUNUBTKRDOCM-RWMBFGLXSA-N 2 2 326.868 3.491 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(F)cccc1Cl ZINC000371294767 457853650 /nfs/dbraw/zinc/85/36/50/457853650.db2.gz MZGRKUHVHICLAJ-CSMYWGQOSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(F)cccc1Cl ZINC000371294767 457853660 /nfs/dbraw/zinc/85/36/60/457853660.db2.gz MZGRKUHVHICLAJ-CSMYWGQOSA-N 2 2 326.843 3.163 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444169807 457862720 /nfs/dbraw/zinc/86/27/20/457862720.db2.gz SMWCUYPBTJSPAB-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444169807 457862729 /nfs/dbraw/zinc/86/27/29/457862729.db2.gz SMWCUYPBTJSPAB-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444169807 457862739 /nfs/dbraw/zinc/86/27/39/457862739.db2.gz SMWCUYPBTJSPAB-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000444169807 457862748 /nfs/dbraw/zinc/86/27/48/457862748.db2.gz SMWCUYPBTJSPAB-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000361826954 457890385 /nfs/dbraw/zinc/89/03/85/457890385.db2.gz DPQUJYTWKLNIGC-JKSUJKDBSA-N 2 2 339.361 3.068 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000361826954 457890390 /nfs/dbraw/zinc/89/03/90/457890390.db2.gz DPQUJYTWKLNIGC-JKSUJKDBSA-N 2 2 339.361 3.068 20 0 EGADLP Fc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc(F)c1F ZINC000371416640 457919735 /nfs/dbraw/zinc/91/97/35/457919735.db2.gz NCYKWCTXCXKKMM-UHFFFAOYSA-N 2 2 342.405 3.038 20 0 EGADLP CC1(C)C[S@@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411605326 457926829 /nfs/dbraw/zinc/92/68/29/457926829.db2.gz QAYOLHFWYUXYSL-QHCPKHFHSA-N 2 2 334.529 3.015 20 0 EGADLP CC1(C)C[S@@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411605326 457926835 /nfs/dbraw/zinc/92/68/35/457926835.db2.gz QAYOLHFWYUXYSL-QHCPKHFHSA-N 2 2 334.529 3.015 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427108156 457945669 /nfs/dbraw/zinc/94/56/69/457945669.db2.gz BUEKEQVCVGPYFK-BEFAXECRSA-N 2 2 344.890 3.326 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427108156 457945673 /nfs/dbraw/zinc/94/56/73/457945673.db2.gz BUEKEQVCVGPYFK-BEFAXECRSA-N 2 2 344.890 3.326 20 0 EGADLP CC(C)c1nc(N2CCC(OCC[NH+](C)C)CC2)cc(C(C)(C)C)[nH+]1 ZINC000434100667 457947386 /nfs/dbraw/zinc/94/73/86/457947386.db2.gz XAZPCFCOLQURFO-UHFFFAOYSA-N 2 2 348.535 3.445 20 0 EGADLP C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358354980 457954684 /nfs/dbraw/zinc/95/46/84/457954684.db2.gz QUCMWTIBMDKUOD-AWEZNQCLSA-N 2 2 326.375 3.136 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732950 457965710 /nfs/dbraw/zinc/96/57/10/457965710.db2.gz PNWJUGRTAYQRHH-FGTMMUONSA-N 2 2 341.430 3.296 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732950 457965716 /nfs/dbraw/zinc/96/57/16/457965716.db2.gz PNWJUGRTAYQRHH-FGTMMUONSA-N 2 2 341.430 3.296 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732949 457966670 /nfs/dbraw/zinc/96/66/70/457966670.db2.gz PNWJUGRTAYQRHH-BZSNNMDCSA-N 2 2 341.430 3.296 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732949 457966677 /nfs/dbraw/zinc/96/66/77/457966677.db2.gz PNWJUGRTAYQRHH-BZSNNMDCSA-N 2 2 341.430 3.296 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](C(C)C)C3)c2cc1C ZINC000444771598 457969980 /nfs/dbraw/zinc/96/99/80/457969980.db2.gz JSDBUXKUAFLWEU-ZWKOTPCHSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](C(C)C)C3)c2cc1C ZINC000444771598 457969985 /nfs/dbraw/zinc/96/99/85/457969985.db2.gz JSDBUXKUAFLWEU-ZWKOTPCHSA-N 2 2 329.488 3.382 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000367863977 457991835 /nfs/dbraw/zinc/99/18/35/457991835.db2.gz HODKDVZLPSDZFQ-GOSISDBHSA-N 2 2 349.544 3.120 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@H]2c2cccs2)CC1 ZINC000367863977 457991842 /nfs/dbraw/zinc/99/18/42/457991842.db2.gz HODKDVZLPSDZFQ-GOSISDBHSA-N 2 2 349.544 3.120 20 0 EGADLP Cc1nc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501287 458008117 /nfs/dbraw/zinc/00/81/17/458008117.db2.gz WPKWWYPBNVGHQH-KRWDZBQOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501287 458008124 /nfs/dbraw/zinc/00/81/24/458008124.db2.gz WPKWWYPBNVGHQH-KRWDZBQOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501287 458008131 /nfs/dbraw/zinc/00/81/31/458008131.db2.gz WPKWWYPBNVGHQH-KRWDZBQOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501287 458008135 /nfs/dbraw/zinc/00/81/35/458008135.db2.gz WPKWWYPBNVGHQH-KRWDZBQOSA-N 2 2 330.501 3.109 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cncc(F)c2)CC1 ZINC000434645206 458027854 /nfs/dbraw/zinc/02/78/54/458027854.db2.gz YJFFGDXKQJCMBK-IBGZPJMESA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC000434645206 458027862 /nfs/dbraw/zinc/02/78/62/458027862.db2.gz YJFFGDXKQJCMBK-IBGZPJMESA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC000434645206 458027867 /nfs/dbraw/zinc/02/78/67/458027867.db2.gz YJFFGDXKQJCMBK-IBGZPJMESA-N 2 2 328.435 3.102 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000445238636 458030231 /nfs/dbraw/zinc/03/02/31/458030231.db2.gz PXTBXLAILPTQTO-ROUUACIJSA-N 2 2 328.500 3.281 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000445238636 458030242 /nfs/dbraw/zinc/03/02/42/458030242.db2.gz PXTBXLAILPTQTO-ROUUACIJSA-N 2 2 328.500 3.281 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688876 458036379 /nfs/dbraw/zinc/03/63/79/458036379.db2.gz QNEUCMSMUXZHGS-MRXNPFEDSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428030949 458067708 /nfs/dbraw/zinc/06/77/08/458067708.db2.gz FYQNGEUVXIYENI-HOJAQTOUSA-N 2 2 335.451 3.050 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428030949 458067713 /nfs/dbraw/zinc/06/77/13/458067713.db2.gz FYQNGEUVXIYENI-HOJAQTOUSA-N 2 2 335.451 3.050 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031498 458069396 /nfs/dbraw/zinc/06/93/96/458069396.db2.gz LBCLMVQPFRMIHI-XYJFISCASA-N 2 2 329.488 3.129 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031498 458069401 /nfs/dbraw/zinc/06/94/01/458069401.db2.gz LBCLMVQPFRMIHI-XYJFISCASA-N 2 2 329.488 3.129 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@@]12CCCO2 ZINC000358572417 458084314 /nfs/dbraw/zinc/08/43/14/458084314.db2.gz PZOTUQXUALGPSU-OSTWSGHESA-N 2 2 344.499 3.138 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@@]12CCCO2 ZINC000358572417 458084319 /nfs/dbraw/zinc/08/43/19/458084319.db2.gz PZOTUQXUALGPSU-OSTWSGHESA-N 2 2 344.499 3.138 20 0 EGADLP O=C(CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000435239919 458108573 /nfs/dbraw/zinc/10/85/73/458108573.db2.gz MBQCDRKOJATZOS-LBPRGKRZSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000435239919 458108576 /nfs/dbraw/zinc/10/85/76/458108576.db2.gz MBQCDRKOJATZOS-LBPRGKRZSA-N 2 2 342.270 3.148 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000435378509 458128343 /nfs/dbraw/zinc/12/83/43/458128343.db2.gz DPZWBZFHOTVMMH-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000435378509 458128351 /nfs/dbraw/zinc/12/83/51/458128351.db2.gz DPZWBZFHOTVMMH-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+](C3CC3)[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000435386983 458132745 /nfs/dbraw/zinc/13/27/45/458132745.db2.gz ZQVULATUIQBNEI-SFHVURJKSA-N 2 2 343.496 3.357 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+](C3CC3)[C@H]3CC[NH2+]C3)cc2)cs1 ZINC000435386983 458132751 /nfs/dbraw/zinc/13/27/51/458132751.db2.gz ZQVULATUIQBNEI-SFHVURJKSA-N 2 2 343.496 3.357 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435390138 458133660 /nfs/dbraw/zinc/13/36/60/458133660.db2.gz OEWJMNMVVOIXPR-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435390138 458133670 /nfs/dbraw/zinc/13/36/70/458133670.db2.gz OEWJMNMVVOIXPR-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP Cc1ccc(F)cc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428434744 458141539 /nfs/dbraw/zinc/14/15/39/458141539.db2.gz AZUULKKEDLKENM-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)cc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428434744 458141546 /nfs/dbraw/zinc/14/15/46/458141546.db2.gz AZUULKKEDLKENM-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)cc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428434744 458141550 /nfs/dbraw/zinc/14/15/50/458141550.db2.gz AZUULKKEDLKENM-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)cc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428434744 458141556 /nfs/dbraw/zinc/14/15/56/458141556.db2.gz AZUULKKEDLKENM-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cn1ccnc1C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426797 458143449 /nfs/dbraw/zinc/14/34/49/458143449.db2.gz JTXXVILXILFAJB-QGZVFWFLSA-N 2 2 344.890 3.218 20 0 EGADLP Cn1ccnc1C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426797 458143451 /nfs/dbraw/zinc/14/34/51/458143451.db2.gz JTXXVILXILFAJB-QGZVFWFLSA-N 2 2 344.890 3.218 20 0 EGADLP COc1ccccc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435441391 458147836 /nfs/dbraw/zinc/14/78/36/458147836.db2.gz FKPFWRNPPNCYOA-QGZVFWFLSA-N 2 2 343.496 3.296 20 0 EGADLP COc1ccccc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435441391 458147840 /nfs/dbraw/zinc/14/78/40/458147840.db2.gz FKPFWRNPPNCYOA-QGZVFWFLSA-N 2 2 343.496 3.296 20 0 EGADLP Cn1c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000435438177 458148552 /nfs/dbraw/zinc/14/85/52/458148552.db2.gz OJOGLKXMOQNPCC-CYBMUJFWSA-N 2 2 340.393 3.166 20 0 EGADLP Cn1c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000435438177 458148557 /nfs/dbraw/zinc/14/85/57/458148557.db2.gz OJOGLKXMOQNPCC-CYBMUJFWSA-N 2 2 340.393 3.166 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)CC(C)(C)CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435565106 458161927 /nfs/dbraw/zinc/16/19/27/458161927.db2.gz JRBQAHBNSNNYQI-INIZCTEOSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335781 458177079 /nfs/dbraw/zinc/17/70/79/458177079.db2.gz SUUKSIUKZVQOGI-XLIONFOSSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335781 458177085 /nfs/dbraw/zinc/17/70/85/458177085.db2.gz SUUKSIUKZVQOGI-XLIONFOSSA-N 2 2 349.563 3.220 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000362480090 458207532 /nfs/dbraw/zinc/20/75/32/458207532.db2.gz QMEKXSXORNRKPJ-HNNXBMFYSA-N 2 2 336.501 3.007 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000362480090 458207533 /nfs/dbraw/zinc/20/75/33/458207533.db2.gz QMEKXSXORNRKPJ-HNNXBMFYSA-N 2 2 336.501 3.007 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)s1 ZINC000362480090 458207535 /nfs/dbraw/zinc/20/75/35/458207535.db2.gz QMEKXSXORNRKPJ-HNNXBMFYSA-N 2 2 336.501 3.007 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)s1 ZINC000362480090 458207536 /nfs/dbraw/zinc/20/75/36/458207536.db2.gz QMEKXSXORNRKPJ-HNNXBMFYSA-N 2 2 336.501 3.007 20 0 EGADLP COC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCC1 ZINC000446746046 458223557 /nfs/dbraw/zinc/22/35/57/458223557.db2.gz VRKHEUANWIWXAU-IBGZPJMESA-N 2 2 327.472 3.269 20 0 EGADLP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459070234 458258631 /nfs/dbraw/zinc/25/86/31/458258631.db2.gz FTUSWPINEZKGLI-UHFFFAOYSA-N 2 2 332.492 3.106 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000429056867 458268424 /nfs/dbraw/zinc/26/84/24/458268424.db2.gz UQZPGIDWRFIEDA-HXUWFJFHSA-N 2 2 344.547 3.352 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000429056867 458268428 /nfs/dbraw/zinc/26/84/28/458268428.db2.gz UQZPGIDWRFIEDA-HXUWFJFHSA-N 2 2 344.547 3.352 20 0 EGADLP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000436284654 458282795 /nfs/dbraw/zinc/28/27/95/458282795.db2.gz MTXHLZMCIHTYTC-RBUKOAKNSA-N 2 2 343.515 3.020 20 0 EGADLP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000436284654 458282797 /nfs/dbraw/zinc/28/27/97/458282797.db2.gz MTXHLZMCIHTYTC-RBUKOAKNSA-N 2 2 343.515 3.020 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000447430954 458297109 /nfs/dbraw/zinc/29/71/09/458297109.db2.gz KNXWYDPQRCJFTR-UHFFFAOYSA-N 2 2 340.452 3.463 20 0 EGADLP COc1cccc2c(N3CC[C@H](C4CC[NH+](C)CC4)C3)cc[nH+]c12 ZINC000436437925 458304851 /nfs/dbraw/zinc/30/48/51/458304851.db2.gz WFHRYNLUFLVKCS-INIZCTEOSA-N 2 2 325.456 3.412 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)o1 ZINC000447545528 458309315 /nfs/dbraw/zinc/30/93/15/458309315.db2.gz XKLFAWAFROZEGB-NBHGPNQESA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)o1 ZINC000447545528 458309318 /nfs/dbraw/zinc/30/93/18/458309318.db2.gz XKLFAWAFROZEGB-NBHGPNQESA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cncc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000372921351 458349541 /nfs/dbraw/zinc/34/95/41/458349541.db2.gz JLMBXBHGKFDPAG-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1cncc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000372921351 458349549 /nfs/dbraw/zinc/34/95/49/458349549.db2.gz JLMBXBHGKFDPAG-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP CS[C@H]1CCCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681573 458357817 /nfs/dbraw/zinc/35/78/17/458357817.db2.gz CQVQEABFDFMWKJ-PMACEKPBSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@H]1CCCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681573 458357818 /nfs/dbraw/zinc/35/78/18/458357818.db2.gz CQVQEABFDFMWKJ-PMACEKPBSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@H]1CCCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681573 458357821 /nfs/dbraw/zinc/35/78/21/458357821.db2.gz CQVQEABFDFMWKJ-PMACEKPBSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@H]1CCCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681573 458357823 /nfs/dbraw/zinc/35/78/23/458357823.db2.gz CQVQEABFDFMWKJ-PMACEKPBSA-N 2 2 348.556 3.495 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376726172 458376229 /nfs/dbraw/zinc/37/62/29/458376229.db2.gz OZKMTBRNRPRYGH-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448031961 458382043 /nfs/dbraw/zinc/38/20/43/458382043.db2.gz VQYUNCQNTCJROH-WMZOPIPTSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448031961 458382045 /nfs/dbraw/zinc/38/20/45/458382045.db2.gz VQYUNCQNTCJROH-WMZOPIPTSA-N 2 2 331.504 3.422 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034109 458382820 /nfs/dbraw/zinc/38/28/20/458382820.db2.gz ZTSZPBNREFGQBU-PBHICJAKSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448034109 458382824 /nfs/dbraw/zinc/38/28/24/458382824.db2.gz ZTSZPBNREFGQBU-PBHICJAKSA-N 2 2 335.467 3.253 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828739 458399438 /nfs/dbraw/zinc/39/94/38/458399438.db2.gz QAGLPLGTBYFARA-MOPGFXCFSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828739 458399442 /nfs/dbraw/zinc/39/94/42/458399442.db2.gz QAGLPLGTBYFARA-MOPGFXCFSA-N 2 2 326.488 3.373 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423495213 458443281 /nfs/dbraw/zinc/44/32/81/458443281.db2.gz UAJJIRFZTLHZMF-IEBWSBKVSA-N 2 2 346.515 3.474 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423497054 458443663 /nfs/dbraw/zinc/44/36/63/458443663.db2.gz FXCBOVJNKMXIIQ-HNAYVOBHSA-N 2 2 335.455 3.180 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423503552 458444610 /nfs/dbraw/zinc/44/46/10/458444610.db2.gz MTHOOOJSKDSTIT-UZLBHIALSA-N 2 2 339.483 3.280 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511205 458447111 /nfs/dbraw/zinc/44/71/11/458447111.db2.gz KATLOXQFLGNULM-XJKSGUPXSA-N 2 2 330.303 3.184 20 0 EGADLP COc1cccc2c1C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000459702600 458451719 /nfs/dbraw/zinc/45/17/19/458451719.db2.gz NZRDMHMOQRIKMY-CQSZACIVSA-N 2 2 325.437 3.199 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423531418 458452891 /nfs/dbraw/zinc/45/28/91/458452891.db2.gz ZYXHKTMAIDUZGZ-PBHICJAKSA-N 2 2 345.437 3.186 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430543841 458458926 /nfs/dbraw/zinc/45/89/26/458458926.db2.gz NFLKEKLDMPUYJY-MPGHIAIKSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430543841 458458928 /nfs/dbraw/zinc/45/89/28/458458928.db2.gz NFLKEKLDMPUYJY-MPGHIAIKSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583863 458466699 /nfs/dbraw/zinc/46/66/99/458466699.db2.gz XZKJBMBEDWTKLV-MAUKXSAKSA-N 2 2 333.520 3.444 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583863 458466701 /nfs/dbraw/zinc/46/67/01/458466701.db2.gz XZKJBMBEDWTKLV-MAUKXSAKSA-N 2 2 333.520 3.444 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599409 458469699 /nfs/dbraw/zinc/46/96/99/458469699.db2.gz QEJCAPVZSWMGEY-GXTWGEPZSA-N 2 2 345.468 3.098 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599409 458469701 /nfs/dbraw/zinc/46/97/01/458469701.db2.gz QEJCAPVZSWMGEY-GXTWGEPZSA-N 2 2 345.468 3.098 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633424 458472795 /nfs/dbraw/zinc/47/27/95/458472795.db2.gz PMTAZAVUFMLNBK-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633424 458472797 /nfs/dbraw/zinc/47/27/97/458472797.db2.gz PMTAZAVUFMLNBK-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430921555 458505155 /nfs/dbraw/zinc/50/51/55/458505155.db2.gz YPGCKGHWQPZRKZ-NSHDSACASA-N 2 2 344.286 3.252 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000373565225 458536220 /nfs/dbraw/zinc/53/62/20/458536220.db2.gz ZEGRYDDTMXYMDI-KRWDZBQOSA-N 2 2 341.455 3.056 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000377887872 458564862 /nfs/dbraw/zinc/56/48/62/458564862.db2.gz HMNDPWVPXACTIB-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000377887872 458564864 /nfs/dbraw/zinc/56/48/64/458564864.db2.gz HMNDPWVPXACTIB-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1[nH+]ccn1CCc1ccccc1 ZINC000431420201 458569945 /nfs/dbraw/zinc/56/99/45/458569945.db2.gz GXUTUSSYCLGGMX-UHFFFAOYSA-N 2 2 349.413 3.186 20 0 EGADLP CC(C)n1nccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000373829260 458617343 /nfs/dbraw/zinc/61/73/43/458617343.db2.gz RITATKWOLBBZAD-UHFFFAOYSA-N 2 2 330.451 3.357 20 0 EGADLP Cc1cccc2[nH+]c(CCc3nc(C4([NH3+])CCCCC4)no3)[nH]c21 ZINC000424347492 458623660 /nfs/dbraw/zinc/62/36/60/458623660.db2.gz ROHCJHLBOSYGTC-UHFFFAOYSA-N 2 2 325.416 3.158 20 0 EGADLP Cc1cccc2[nH]c(CCc3nc(C4([NH3+])CCCCC4)no3)[nH+]c21 ZINC000424347492 458623666 /nfs/dbraw/zinc/62/36/66/458623666.db2.gz ROHCJHLBOSYGTC-UHFFFAOYSA-N 2 2 325.416 3.158 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000456370796 458652015 /nfs/dbraw/zinc/65/20/15/458652015.db2.gz YJNJJRDKUAUPRI-HNNXBMFYSA-N 2 2 328.460 3.236 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470788275 458652316 /nfs/dbraw/zinc/65/23/16/458652316.db2.gz FMPYQSXQWGCPAI-BHIFYINESA-N 2 2 338.495 3.302 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470788275 458652324 /nfs/dbraw/zinc/65/23/24/458652324.db2.gz FMPYQSXQWGCPAI-BHIFYINESA-N 2 2 338.495 3.302 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470788275 458652330 /nfs/dbraw/zinc/65/23/30/458652330.db2.gz FMPYQSXQWGCPAI-BHIFYINESA-N 2 2 338.495 3.302 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470788275 458652338 /nfs/dbraw/zinc/65/23/38/458652338.db2.gz FMPYQSXQWGCPAI-BHIFYINESA-N 2 2 338.495 3.302 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462841364 458660660 /nfs/dbraw/zinc/66/06/60/458660660.db2.gz ZJTJYAVJHDEVHI-COPCDDAFSA-N 2 2 338.495 3.354 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462841364 458660667 /nfs/dbraw/zinc/66/06/67/458660667.db2.gz ZJTJYAVJHDEVHI-COPCDDAFSA-N 2 2 338.495 3.354 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC34CCC4)CC2)c1 ZINC000502696908 458665078 /nfs/dbraw/zinc/66/50/78/458665078.db2.gz MNUWAAVHKOHASW-FQEVSTJZSA-N 2 2 327.516 3.429 20 0 EGADLP c1cnn(-c2cccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)c2)c1 ZINC000546808672 458678231 /nfs/dbraw/zinc/67/82/31/458678231.db2.gz KXARTBRVQIQKDY-UHFFFAOYSA-N 2 2 333.439 3.344 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061953 458690764 /nfs/dbraw/zinc/69/07/64/458690764.db2.gz HUERBJYDIHFRMA-QGZVFWFLSA-N 2 2 335.467 3.349 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061953 458690768 /nfs/dbraw/zinc/69/07/68/458690768.db2.gz HUERBJYDIHFRMA-QGZVFWFLSA-N 2 2 335.467 3.349 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061953 458690775 /nfs/dbraw/zinc/69/07/75/458690775.db2.gz HUERBJYDIHFRMA-QGZVFWFLSA-N 2 2 335.467 3.349 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061953 458690779 /nfs/dbraw/zinc/69/07/79/458690779.db2.gz HUERBJYDIHFRMA-QGZVFWFLSA-N 2 2 335.467 3.349 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494665813 458725240 /nfs/dbraw/zinc/72/52/40/458725240.db2.gz DZMLHBUNCDJJOJ-JKSUJKDBSA-N 2 2 349.906 3.077 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]C[C@H]3C[N@H+](CC(C)C)CCO3)cc2c1C ZINC000472056912 458765429 /nfs/dbraw/zinc/76/54/29/458765429.db2.gz AUWJVAQDNBJDFR-SFHVURJKSA-N 2 2 329.488 3.231 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]C[C@H]3C[N@@H+](CC(C)C)CCO3)cc2c1C ZINC000472056912 458765436 /nfs/dbraw/zinc/76/54/36/458765436.db2.gz AUWJVAQDNBJDFR-SFHVURJKSA-N 2 2 329.488 3.231 20 0 EGADLP CC[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)[N@H+](C)Cc1ccccc1 ZINC000456826044 458792384 /nfs/dbraw/zinc/79/23/84/458792384.db2.gz AERIHYFGYRFBEC-IBGZPJMESA-N 2 2 325.456 3.225 20 0 EGADLP CC[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)[N@@H+](C)Cc1ccccc1 ZINC000456826044 458792388 /nfs/dbraw/zinc/79/23/88/458792388.db2.gz AERIHYFGYRFBEC-IBGZPJMESA-N 2 2 325.456 3.225 20 0 EGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@H+](CC)c2ccccc2)C1 ZINC000465618839 458837336 /nfs/dbraw/zinc/83/73/36/458837336.db2.gz MILJNGNMLMAHSC-LJQANCHMSA-N 2 2 346.519 3.029 20 0 EGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@@H+](CC)c2ccccc2)C1 ZINC000465618839 458837343 /nfs/dbraw/zinc/83/73/43/458837343.db2.gz MILJNGNMLMAHSC-LJQANCHMSA-N 2 2 346.519 3.029 20 0 EGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000518050816 458839239 /nfs/dbraw/zinc/83/92/39/458839239.db2.gz OJBBWEVOJGSFCW-LBPRGKRZSA-N 2 2 340.349 3.192 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902186 458842067 /nfs/dbraw/zinc/84/20/67/458842067.db2.gz LTJJZKNLUOKTQC-SLYNCCJLSA-N 2 2 345.531 3.305 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902186 458842072 /nfs/dbraw/zinc/84/20/72/458842072.db2.gz LTJJZKNLUOKTQC-SLYNCCJLSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902186 458842077 /nfs/dbraw/zinc/84/20/77/458842077.db2.gz LTJJZKNLUOKTQC-SLYNCCJLSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902186 458842086 /nfs/dbraw/zinc/84/20/86/458842086.db2.gz LTJJZKNLUOKTQC-SLYNCCJLSA-N 2 2 345.531 3.305 20 0 EGADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000518195195 458848695 /nfs/dbraw/zinc/84/86/95/458848695.db2.gz VNGQPGZPHFFKFD-FZMZJTMJSA-N 2 2 331.803 3.464 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000474022274 458854926 /nfs/dbraw/zinc/85/49/26/458854926.db2.gz JAQCBEVNFNALHT-YLJYHZDGSA-N 2 2 346.515 3.364 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000474022274 458854933 /nfs/dbraw/zinc/85/49/33/458854933.db2.gz JAQCBEVNFNALHT-YLJYHZDGSA-N 2 2 346.515 3.364 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H]3Cc3ccccc3)c2cc1C ZINC000530994526 458855889 /nfs/dbraw/zinc/85/58/89/458855889.db2.gz DIELVUIOHPLDIQ-UXHICEINSA-N 2 2 349.478 3.331 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H]3Cc3ccccc3)c2cc1C ZINC000530994526 458855895 /nfs/dbraw/zinc/85/58/95/458855895.db2.gz DIELVUIOHPLDIQ-UXHICEINSA-N 2 2 349.478 3.331 20 0 EGADLP C[C@H]([NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CCOC1 ZINC000474723312 458898789 /nfs/dbraw/zinc/89/87/89/458898789.db2.gz DVHMZBGIIXFNJI-PWIZWCRZSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@H]([NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CCOC1 ZINC000474723312 458898792 /nfs/dbraw/zinc/89/87/92/458898792.db2.gz DVHMZBGIIXFNJI-PWIZWCRZSA-N 2 2 330.516 3.474 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000441217491 458902967 /nfs/dbraw/zinc/90/29/67/458902967.db2.gz IGLPWHGJNQTZCU-UHFFFAOYSA-N 2 2 348.413 3.118 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000441217491 458902969 /nfs/dbraw/zinc/90/29/69/458902969.db2.gz IGLPWHGJNQTZCU-UHFFFAOYSA-N 2 2 348.413 3.118 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000519111728 458916197 /nfs/dbraw/zinc/91/61/97/458916197.db2.gz WYHWQSFLSVQAND-QVKFZJNVSA-N 2 2 334.467 3.361 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441321716 458920049 /nfs/dbraw/zinc/92/00/49/458920049.db2.gz DLFQNTBGUWFKRQ-IPMKNSEASA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441321716 458920054 /nfs/dbraw/zinc/92/00/54/458920054.db2.gz DLFQNTBGUWFKRQ-IPMKNSEASA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441321716 458920057 /nfs/dbraw/zinc/92/00/57/458920057.db2.gz DLFQNTBGUWFKRQ-IPMKNSEASA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441321716 458920060 /nfs/dbraw/zinc/92/00/60/458920060.db2.gz DLFQNTBGUWFKRQ-IPMKNSEASA-N 2 2 345.531 3.367 20 0 EGADLP CC[C@H](C(=O)Nc1nc(C[NH+](C)C)cs1)[N@H+](C)Cc1ccccc1 ZINC000457319654 458920944 /nfs/dbraw/zinc/92/09/44/458920944.db2.gz XVAFLKKDZOBZEJ-MRXNPFEDSA-N 2 2 346.500 3.054 20 0 EGADLP CC[C@H](C(=O)Nc1nc(C[NH+](C)C)cs1)[N@@H+](C)Cc1ccccc1 ZINC000457319654 458920946 /nfs/dbraw/zinc/92/09/46/458920946.db2.gz XVAFLKKDZOBZEJ-MRXNPFEDSA-N 2 2 346.500 3.054 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441333095 458921274 /nfs/dbraw/zinc/92/12/74/458921274.db2.gz AAVBLEZVCWRLTE-UXHICEINSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441333095 458921279 /nfs/dbraw/zinc/92/12/79/458921279.db2.gz AAVBLEZVCWRLTE-UXHICEINSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441333095 458921281 /nfs/dbraw/zinc/92/12/81/458921281.db2.gz AAVBLEZVCWRLTE-UXHICEINSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441333095 458921283 /nfs/dbraw/zinc/92/12/83/458921283.db2.gz AAVBLEZVCWRLTE-UXHICEINSA-N 2 2 345.531 3.402 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556118996 458930326 /nfs/dbraw/zinc/93/03/26/458930326.db2.gz XEORUMGQYKCMSB-YSIASYRMSA-N 2 2 340.467 3.154 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556118996 458930336 /nfs/dbraw/zinc/93/03/36/458930336.db2.gz XEORUMGQYKCMSB-YSIASYRMSA-N 2 2 340.467 3.154 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466898629 458930452 /nfs/dbraw/zinc/93/04/52/458930452.db2.gz ZKLNQWVDBFMCSI-BVYCBKJFSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466898629 458930462 /nfs/dbraw/zinc/93/04/62/458930462.db2.gz ZKLNQWVDBFMCSI-BVYCBKJFSA-N 2 2 338.495 3.151 20 0 EGADLP CSC1(CNc2[nH+]cnc3[nH]c4ccccc4c32)CC[NH+](C)CC1 ZINC000556212120 458938101 /nfs/dbraw/zinc/93/81/01/458938101.db2.gz HUYGHZHTOSOKQJ-UHFFFAOYSA-N 2 2 341.484 3.350 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351993 458938850 /nfs/dbraw/zinc/93/88/50/458938850.db2.gz MTGYFZLCUGIVDC-PKOBYXMFSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351993 458938857 /nfs/dbraw/zinc/93/88/57/458938857.db2.gz MTGYFZLCUGIVDC-PKOBYXMFSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351993 458938862 /nfs/dbraw/zinc/93/88/62/458938862.db2.gz MTGYFZLCUGIVDC-PKOBYXMFSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351993 458938866 /nfs/dbraw/zinc/93/88/66/458938866.db2.gz MTGYFZLCUGIVDC-PKOBYXMFSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351984 458939503 /nfs/dbraw/zinc/93/95/03/458939503.db2.gz MTGYFZLCUGIVDC-HKUYNNGSSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351984 458939510 /nfs/dbraw/zinc/93/95/10/458939510.db2.gz MTGYFZLCUGIVDC-HKUYNNGSSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351984 458939516 /nfs/dbraw/zinc/93/95/16/458939516.db2.gz MTGYFZLCUGIVDC-HKUYNNGSSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351984 458939522 /nfs/dbraw/zinc/93/95/22/458939522.db2.gz MTGYFZLCUGIVDC-HKUYNNGSSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000495800092 458958461 /nfs/dbraw/zinc/95/84/61/458958461.db2.gz JVMGBWLTQRZKCS-HNNXBMFYSA-N 2 2 348.491 3.099 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c2[nH+]ccn21 ZINC000556832702 459017886 /nfs/dbraw/zinc/01/78/86/459017886.db2.gz ZSJSSJWGQZVDPN-MAUKXSAKSA-N 2 2 338.455 3.305 20 0 EGADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000478248851 459083770 /nfs/dbraw/zinc/08/37/70/459083770.db2.gz CAUJQRHTSASPEP-SFHVURJKSA-N 2 2 329.488 3.394 20 0 EGADLP CC(C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccn1 ZINC000557661932 459096288 /nfs/dbraw/zinc/09/62/88/459096288.db2.gz PHIKTWMBZCKXMA-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccn1 ZINC000557661932 459096294 /nfs/dbraw/zinc/09/62/94/459096294.db2.gz PHIKTWMBZCKXMA-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000521067777 459117926 /nfs/dbraw/zinc/11/79/26/459117926.db2.gz CBPJGQIXGUDHCA-IBGZPJMESA-N 2 2 343.446 3.061 20 0 EGADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000521067777 459117933 /nfs/dbraw/zinc/11/79/33/459117933.db2.gz CBPJGQIXGUDHCA-IBGZPJMESA-N 2 2 343.446 3.061 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000567526586 459119759 /nfs/dbraw/zinc/11/97/59/459119759.db2.gz ONBPEYGFWYHHJU-MSOLQXFVSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000567526586 459119765 /nfs/dbraw/zinc/11/97/65/459119765.db2.gz ONBPEYGFWYHHJU-MSOLQXFVSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000567526586 459119769 /nfs/dbraw/zinc/11/97/69/459119769.db2.gz ONBPEYGFWYHHJU-MSOLQXFVSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000567526586 459119777 /nfs/dbraw/zinc/11/97/77/459119777.db2.gz ONBPEYGFWYHHJU-MSOLQXFVSA-N 2 2 325.541 3.220 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064825 459119886 /nfs/dbraw/zinc/11/98/86/459119886.db2.gz FYNCMTYJNRQAJY-NSISKUIASA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064825 459119890 /nfs/dbraw/zinc/11/98/90/459119890.db2.gz FYNCMTYJNRQAJY-NSISKUIASA-N 2 2 330.516 3.474 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000479283593 459132210 /nfs/dbraw/zinc/13/22/10/459132210.db2.gz NSODMVUCOWRIKG-DVOMOZLQSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000479283593 459132218 /nfs/dbraw/zinc/13/22/18/459132218.db2.gz NSODMVUCOWRIKG-DVOMOZLQSA-N 2 2 325.294 3.452 20 0 EGADLP C1=CC[C@@H](CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000532786142 459144088 /nfs/dbraw/zinc/14/40/88/459144088.db2.gz PXUANQUKBHRENC-MRXNPFEDSA-N 2 2 340.471 3.206 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000480035991 459179388 /nfs/dbraw/zinc/17/93/88/459179388.db2.gz GQHTZFXXHSVORF-YLJYHZDGSA-N 2 2 334.504 3.483 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000480035991 459179391 /nfs/dbraw/zinc/17/93/91/459179391.db2.gz GQHTZFXXHSVORF-YLJYHZDGSA-N 2 2 334.504 3.483 20 0 EGADLP CC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000480079395 459181017 /nfs/dbraw/zinc/18/10/17/459181017.db2.gz AXPXDCSKFOFVCN-YZGWKJHDSA-N 2 2 332.488 3.237 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000594965454 459198719 /nfs/dbraw/zinc/19/87/19/459198719.db2.gz IRCLFEVBVQFVNX-YVBRAAJESA-N 2 2 348.556 3.319 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000594965454 459198722 /nfs/dbraw/zinc/19/87/22/459198722.db2.gz IRCLFEVBVQFVNX-YVBRAAJESA-N 2 2 348.556 3.319 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000578438166 459201518 /nfs/dbraw/zinc/20/15/18/459201518.db2.gz ZQSSUTWNIMEDNE-SJORKVTESA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000578438166 459201522 /nfs/dbraw/zinc/20/15/22/459201522.db2.gz ZQSSUTWNIMEDNE-SJORKVTESA-N 2 2 344.503 3.151 20 0 EGADLP CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000558716061 459202705 /nfs/dbraw/zinc/20/27/05/459202705.db2.gz KJSVONMHYUYSTC-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000558716061 459202709 /nfs/dbraw/zinc/20/27/09/459202709.db2.gz KJSVONMHYUYSTC-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cc[nH+]c1 ZINC000578538038 459220079 /nfs/dbraw/zinc/22/00/79/459220079.db2.gz NMHPFWCPCRNRCH-ZHALLVOQSA-N 2 2 340.471 3.004 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000568174720 459239615 /nfs/dbraw/zinc/23/96/15/459239615.db2.gz FLIAOZKMGZHQJU-UHFFFAOYSA-N 2 2 347.890 3.213 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000595296210 459270981 /nfs/dbraw/zinc/27/09/81/459270981.db2.gz XVEIGIVFLYDOOS-QGZVFWFLSA-N 2 2 338.879 3.218 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000568446173 459288907 /nfs/dbraw/zinc/28/89/07/459288907.db2.gz FLCRGRCQNDJNEU-UHFFFAOYSA-N 2 2 331.410 3.423 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)CCC2 ZINC000568511333 459301063 /nfs/dbraw/zinc/30/10/63/459301063.db2.gz UNMHZAARVUKUOV-VQIMIIECSA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)CCC2 ZINC000568511333 459301067 /nfs/dbraw/zinc/30/10/67/459301067.db2.gz UNMHZAARVUKUOV-VQIMIIECSA-N 2 2 334.529 3.222 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591083207 459310326 /nfs/dbraw/zinc/31/03/26/459310326.db2.gz QYDDXDKNWBSKGR-QGZVFWFLSA-N 2 2 337.427 3.333 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591083207 459310332 /nfs/dbraw/zinc/31/03/32/459310332.db2.gz QYDDXDKNWBSKGR-QGZVFWFLSA-N 2 2 337.427 3.333 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524005671 459341056 /nfs/dbraw/zinc/34/10/56/459341056.db2.gz VCIIMUXKJPGTGR-UHFFFAOYSA-N 2 2 344.503 3.012 20 0 EGADLP COC(=O)CC1(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000595551303 459344615 /nfs/dbraw/zinc/34/46/15/459344615.db2.gz IGGMGMYDUWTNIR-UHFFFAOYSA-N 2 2 341.455 3.161 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2o1 ZINC000591447011 459382155 /nfs/dbraw/zinc/38/21/55/459382155.db2.gz WKFGDLKIEUEGKO-SJORKVTESA-N 2 2 342.439 3.326 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)ccc2o1 ZINC000591447011 459382159 /nfs/dbraw/zinc/38/21/59/459382159.db2.gz WKFGDLKIEUEGKO-SJORKVTESA-N 2 2 342.439 3.326 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554468 459384432 /nfs/dbraw/zinc/38/44/32/459384432.db2.gz NRTXSGXIANPTDE-IEBWSBKVSA-N 2 2 342.483 3.229 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554468 459384435 /nfs/dbraw/zinc/38/44/35/459384435.db2.gz NRTXSGXIANPTDE-IEBWSBKVSA-N 2 2 342.483 3.229 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000569446591 459453447 /nfs/dbraw/zinc/45/34/47/459453447.db2.gz CPSSYXAIVSLPMM-IAGOWNOFSA-N 2 2 347.507 3.187 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000569587870 459476059 /nfs/dbraw/zinc/47/60/59/459476059.db2.gz BDSYTIOXLCTDIY-MRXNPFEDSA-N 2 2 349.276 3.347 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000569587870 459476063 /nfs/dbraw/zinc/47/60/63/459476063.db2.gz BDSYTIOXLCTDIY-MRXNPFEDSA-N 2 2 349.276 3.347 20 0 EGADLP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000583806398 459600150 /nfs/dbraw/zinc/60/01/50/459600150.db2.gz BRIRKLSYKSZOEB-NHCUHLMSSA-N 2 2 349.478 3.162 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C[C@H](C)O1 ZINC000562652279 459612736 /nfs/dbraw/zinc/61/27/36/459612736.db2.gz OFESCJXQKYLVEM-BJWYYQGGSA-N 2 2 326.550 3.284 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000573140545 459632244 /nfs/dbraw/zinc/63/22/44/459632244.db2.gz UDTAZGHMKADIKI-UZLBHIALSA-N 2 2 338.451 3.083 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000573140545 459632249 /nfs/dbraw/zinc/63/22/49/459632249.db2.gz UDTAZGHMKADIKI-UZLBHIALSA-N 2 2 338.451 3.083 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000584239742 459688980 /nfs/dbraw/zinc/68/89/80/459688980.db2.gz KSTWHRJOWMNICK-IRXDYDNUSA-N 2 2 328.500 3.421 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527753230 459724997 /nfs/dbraw/zinc/72/49/97/459724997.db2.gz SMEGMXZYDQNVIJ-LJQANCHMSA-N 2 2 349.563 3.410 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527753230 459725002 /nfs/dbraw/zinc/72/50/02/459725002.db2.gz SMEGMXZYDQNVIJ-LJQANCHMSA-N 2 2 349.563 3.410 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000573739732 459726384 /nfs/dbraw/zinc/72/63/84/459726384.db2.gz CICQDHSRNMSTMJ-INIZCTEOSA-N 2 2 329.444 3.077 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760167 459727983 /nfs/dbraw/zinc/72/79/83/459727983.db2.gz ABIDZSQAHJUUMO-KKSFZXQISA-N 2 2 334.467 3.183 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760167 459727989 /nfs/dbraw/zinc/72/79/89/459727989.db2.gz ABIDZSQAHJUUMO-KKSFZXQISA-N 2 2 334.467 3.183 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418344 459734459 /nfs/dbraw/zinc/73/44/59/459734459.db2.gz QQTYIGFUJYPFAU-IAGOWNOFSA-N 2 2 329.488 3.164 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418344 459734463 /nfs/dbraw/zinc/73/44/63/459734463.db2.gz QQTYIGFUJYPFAU-IAGOWNOFSA-N 2 2 329.488 3.164 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000584458095 459743248 /nfs/dbraw/zinc/74/32/48/459743248.db2.gz MUUHFXNWZVGUQS-SJORKVTESA-N 2 2 330.476 3.393 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000544566808 459768525 /nfs/dbraw/zinc/76/85/25/459768525.db2.gz LJPOQTJCNGZVIQ-YTQUADARSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000544566808 459768529 /nfs/dbraw/zinc/76/85/29/459768529.db2.gz LJPOQTJCNGZVIQ-YTQUADARSA-N 2 2 326.488 3.371 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)Cc1ccc3ccccc3c1)CCC2 ZINC000574071092 459775903 /nfs/dbraw/zinc/77/59/03/459775903.db2.gz CHQIIOVAKQOSJR-NHCUHLMSSA-N 2 2 349.478 3.415 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007094 459794773 /nfs/dbraw/zinc/79/47/73/459794773.db2.gz BIMAOQXAHLWYBF-OXQOHEQNSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007094 459794777 /nfs/dbraw/zinc/79/47/77/459794777.db2.gz BIMAOQXAHLWYBF-OXQOHEQNSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000566064138 459799806 /nfs/dbraw/zinc/79/98/06/459799806.db2.gz BAYVUHLOTBVDNA-RYGJVYDSSA-N 2 2 330.447 3.010 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000574528215 459830850 /nfs/dbraw/zinc/83/08/50/459830850.db2.gz FIWUQWWZGKUKJT-OAHLLOKOSA-N 2 2 338.492 3.103 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000574528215 459830854 /nfs/dbraw/zinc/83/08/54/459830854.db2.gz FIWUQWWZGKUKJT-OAHLLOKOSA-N 2 2 338.492 3.103 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000574637866 459845549 /nfs/dbraw/zinc/84/55/49/459845549.db2.gz ILAQQBZVCBKKDT-QGZVFWFLSA-N 2 2 349.478 3.121 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000574637866 459845555 /nfs/dbraw/zinc/84/55/55/459845555.db2.gz ILAQQBZVCBKKDT-QGZVFWFLSA-N 2 2 349.478 3.121 20 0 EGADLP CC(C)OC(=O)C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000597132154 459847031 /nfs/dbraw/zinc/84/70/31/459847031.db2.gz GWRQPUWODITAKE-QGZVFWFLSA-N 2 2 327.428 3.002 20 0 EGADLP Cc1cnccc1CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000575176883 459941205 /nfs/dbraw/zinc/94/12/05/459941205.db2.gz JDYYLJRPJCPTAD-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP Cc1cnccc1CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000575176883 459941211 /nfs/dbraw/zinc/94/12/11/459941211.db2.gz JDYYLJRPJCPTAD-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588687948 459967948 /nfs/dbraw/zinc/96/79/48/459967948.db2.gz HVYZILCAFYVBDM-DYESRHJHSA-N 2 2 326.484 3.393 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588687948 459967952 /nfs/dbraw/zinc/96/79/52/459967952.db2.gz HVYZILCAFYVBDM-DYESRHJHSA-N 2 2 326.484 3.393 20 0 EGADLP Clc1cc(Cl)cc(-c2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)co2)c1 ZINC000625099736 460031480 /nfs/dbraw/zinc/03/14/80/460031480.db2.gz SPOQJWXWQQUGEP-VXGBXAGGSA-N 2 2 338.238 3.300 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000621765257 460057180 /nfs/dbraw/zinc/05/71/80/460057180.db2.gz VJOXGXKHMMDWJB-NLWGTHIKSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000621765257 460057186 /nfs/dbraw/zinc/05/71/86/460057186.db2.gz VJOXGXKHMMDWJB-NLWGTHIKSA-N 2 2 327.472 3.091 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779419 460061735 /nfs/dbraw/zinc/06/17/35/460061735.db2.gz FBMZICYOZIOTKG-GHTZIAJQSA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779419 460061742 /nfs/dbraw/zinc/06/17/42/460061742.db2.gz FBMZICYOZIOTKG-GHTZIAJQSA-N 2 2 335.451 3.252 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@@H+]1C ZINC000614354788 460111796 /nfs/dbraw/zinc/11/17/96/460111796.db2.gz YTXIWBSZZVNGHN-GDBMZVCRSA-N 2 2 338.455 3.165 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC[N@H+]1C ZINC000614354788 460111801 /nfs/dbraw/zinc/11/18/01/460111801.db2.gz YTXIWBSZZVNGHN-GDBMZVCRSA-N 2 2 338.455 3.165 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811667 460217823 /nfs/dbraw/zinc/21/78/23/460217823.db2.gz KKPOUFHCUDQLCB-HZPDHXFCSA-N 3 2 349.485 3.361 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439352 460365031 /nfs/dbraw/zinc/36/50/31/460365031.db2.gz YSHUMNVZDSTMED-KSSFIOAISA-N 2 2 330.472 3.214 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439352 460365034 /nfs/dbraw/zinc/36/50/34/460365034.db2.gz YSHUMNVZDSTMED-KSSFIOAISA-N 2 2 330.472 3.214 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000623088623 460408661 /nfs/dbraw/zinc/40/86/61/460408661.db2.gz WDKOVTWQBCEMST-UHFFFAOYSA-N 2 2 334.357 3.355 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)C2 ZINC000615872576 460414109 /nfs/dbraw/zinc/41/41/09/460414109.db2.gz FHBZGGCCFBVVCL-KUHUBIRLSA-N 2 2 338.455 3.011 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)CC2 ZINC000615872576 460414112 /nfs/dbraw/zinc/41/41/12/460414112.db2.gz FHBZGGCCFBVVCL-KUHUBIRLSA-N 2 2 338.455 3.011 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000631521382 460424121 /nfs/dbraw/zinc/42/41/21/460424121.db2.gz RWKGBFUEAUGDAV-INIZCTEOSA-N 2 2 338.455 3.025 20 0 EGADLP Fc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000631572634 460449818 /nfs/dbraw/zinc/44/98/18/460449818.db2.gz NFCDEWNXTUOPFL-SNRMKQJTSA-N 2 2 341.430 3.449 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631578359 460453538 /nfs/dbraw/zinc/45/35/38/460453538.db2.gz RLNYXKOHJPPKMO-PKOFMYQESA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631578359 460453545 /nfs/dbraw/zinc/45/35/45/460453545.db2.gz RLNYXKOHJPPKMO-PKOFMYQESA-N 2 2 326.484 3.369 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000631655425 460490653 /nfs/dbraw/zinc/49/06/53/460490653.db2.gz RLRSTZUVHJBQNG-WAFHWIMBSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000631655425 460490658 /nfs/dbraw/zinc/49/06/58/460490658.db2.gz RLRSTZUVHJBQNG-WAFHWIMBSA-N 2 2 338.854 3.381 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623396615 460527084 /nfs/dbraw/zinc/52/70/84/460527084.db2.gz ZWZQFHWSMPGXDF-UHFFFAOYSA-N 2 2 336.423 3.357 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000623868824 460752755 /nfs/dbraw/zinc/75/27/55/460752755.db2.gz IIYOEXZPVMUPOG-INIZCTEOSA-N 2 2 344.528 3.050 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)n1 ZINC000623868824 460752759 /nfs/dbraw/zinc/75/27/59/460752759.db2.gz IIYOEXZPVMUPOG-INIZCTEOSA-N 2 2 344.528 3.050 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC000620757828 460764970 /nfs/dbraw/zinc/76/49/70/460764970.db2.gz ODNCSNPWFYVKNO-CQSZACIVSA-N 2 2 342.468 3.441 20 0 EGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000623904186 460769740 /nfs/dbraw/zinc/76/97/40/460769740.db2.gz XHVQWSYLGOSFEN-INIZCTEOSA-N 2 2 349.544 3.393 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccccc1Oc1ccccc1)C[NH+]1CCCC1 ZINC000629558515 460807821 /nfs/dbraw/zinc/80/78/21/460807821.db2.gz IWDIREBPRLUBJZ-SFHVURJKSA-N 2 2 326.440 3.025 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1SC ZINC000629565398 460812152 /nfs/dbraw/zinc/81/21/52/460812152.db2.gz WSUYGOKUUWFBGS-STQMWFEESA-N 2 2 348.434 3.376 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1SC ZINC000629565398 460812156 /nfs/dbraw/zinc/81/21/56/460812156.db2.gz WSUYGOKUUWFBGS-STQMWFEESA-N 2 2 348.434 3.376 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000624018926 460823822 /nfs/dbraw/zinc/82/38/22/460823822.db2.gz AUCFHCPZZSYLIR-HOTGVXAUSA-N 2 2 331.460 3.495 20 0 EGADLP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635657793 460873816 /nfs/dbraw/zinc/87/38/16/460873816.db2.gz DOHKFDILECFWFQ-LJQANCHMSA-N 2 2 348.535 3.345 20 0 EGADLP C[NH+](C)Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000629708242 460880116 /nfs/dbraw/zinc/88/01/16/460880116.db2.gz BQTODNMUKANLQG-UHFFFAOYSA-N 2 2 328.431 3.387 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607729286 460893070 /nfs/dbraw/zinc/89/30/70/460893070.db2.gz NEVJQZCTWPOORZ-DOTOQJQBSA-N 2 2 337.427 3.255 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607729286 460893074 /nfs/dbraw/zinc/89/30/74/460893074.db2.gz NEVJQZCTWPOORZ-DOTOQJQBSA-N 2 2 337.427 3.255 20 0 EGADLP CSc1cc(C)c(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)cn1 ZINC000629737479 460896990 /nfs/dbraw/zinc/89/69/90/460896990.db2.gz UEZAKPMBFHKVQW-UHFFFAOYSA-N 2 2 339.468 3.295 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000635738913 460905167 /nfs/dbraw/zinc/90/51/67/460905167.db2.gz HFBVVXYGUDXRMJ-SFHVURJKSA-N 2 2 336.439 3.025 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000635738913 460905171 /nfs/dbraw/zinc/90/51/71/460905171.db2.gz HFBVVXYGUDXRMJ-SFHVURJKSA-N 2 2 336.439 3.025 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624231167 460922403 /nfs/dbraw/zinc/92/24/03/460922403.db2.gz RGKIXVLURSYHGQ-WMLDXEAASA-N 2 2 346.421 3.349 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624231167 460922410 /nfs/dbraw/zinc/92/24/10/460922410.db2.gz RGKIXVLURSYHGQ-WMLDXEAASA-N 2 2 346.421 3.349 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000635810787 460934959 /nfs/dbraw/zinc/93/49/59/460934959.db2.gz JTKBLBUHQYIYPY-KXBFYZLASA-N 2 2 336.439 3.064 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000621311344 460982965 /nfs/dbraw/zinc/98/29/65/460982965.db2.gz HHAHYPAFNDGFKX-WQVCFCJDSA-N 2 2 334.847 3.164 20 0 EGADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000621311344 460982971 /nfs/dbraw/zinc/98/29/71/460982971.db2.gz HHAHYPAFNDGFKX-WQVCFCJDSA-N 2 2 334.847 3.164 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)C34CCC[NH+](CCC3)C4)ccc21 ZINC000635976458 460995889 /nfs/dbraw/zinc/99/58/89/460995889.db2.gz VNBLMZMQWHCQDS-UHFFFAOYSA-N 2 2 338.455 3.115 20 0 EGADLP CCOc1cncc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000621342780 460997891 /nfs/dbraw/zinc/99/78/91/460997891.db2.gz JFMBCTZKBAQTCU-INIZCTEOSA-N 2 2 340.471 3.191 20 0 EGADLP Cc1c[nH]c(CN(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000628278491 461069888 /nfs/dbraw/zinc/06/98/88/461069888.db2.gz SETRWTXUGXIZBI-UHFFFAOYSA-N 2 2 340.393 3.301 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350083 461144792 /nfs/dbraw/zinc/14/47/92/461144792.db2.gz FHNPNMFTARRHPU-JXFKEZNVSA-N 2 2 329.488 3.118 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350083 461144801 /nfs/dbraw/zinc/14/48/01/461144801.db2.gz FHNPNMFTARRHPU-JXFKEZNVSA-N 2 2 329.488 3.118 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950366 461148357 /nfs/dbraw/zinc/14/83/57/461148357.db2.gz CPAMIOJDFJNSER-ZBFHGGJFSA-N 2 2 327.428 3.294 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950366 461148360 /nfs/dbraw/zinc/14/83/60/461148360.db2.gz CPAMIOJDFJNSER-ZBFHGGJFSA-N 2 2 327.428 3.294 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000652356442 461150883 /nfs/dbraw/zinc/15/08/83/461150883.db2.gz JTKDPRJNGVMHAD-GDBMZVCRSA-N 2 2 349.862 3.099 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C[C@H]1C[NH3+] ZINC000652356442 461150891 /nfs/dbraw/zinc/15/08/91/461150891.db2.gz JTKDPRJNGVMHAD-GDBMZVCRSA-N 2 2 349.862 3.099 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000668172853 461158666 /nfs/dbraw/zinc/15/86/66/461158666.db2.gz VERWVCFYITWFAR-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000668172853 461158650 /nfs/dbraw/zinc/15/86/50/461158650.db2.gz VERWVCFYITWFAR-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000668172853 461158661 /nfs/dbraw/zinc/15/86/61/461158661.db2.gz VERWVCFYITWFAR-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000668172853 461158674 /nfs/dbraw/zinc/15/86/74/461158674.db2.gz VERWVCFYITWFAR-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000649611283 461219303 /nfs/dbraw/zinc/21/93/03/461219303.db2.gz RDDHRXPWCGUHMW-IAGOWNOFSA-N 2 2 342.405 3.091 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000649611283 461219310 /nfs/dbraw/zinc/21/93/10/461219310.db2.gz RDDHRXPWCGUHMW-IAGOWNOFSA-N 2 2 342.405 3.091 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000668298191 461234480 /nfs/dbraw/zinc/23/44/80/461234480.db2.gz QFWLYBZAABISTA-DZFGPLHGSA-N 2 2 346.515 3.249 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000668298191 461234483 /nfs/dbraw/zinc/23/44/83/461234483.db2.gz QFWLYBZAABISTA-DZFGPLHGSA-N 2 2 346.515 3.249 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128255 461261081 /nfs/dbraw/zinc/26/10/81/461261081.db2.gz RAWGWBKXLLCNCQ-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128255 461261085 /nfs/dbraw/zinc/26/10/85/461261085.db2.gz RAWGWBKXLLCNCQ-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128255 461261092 /nfs/dbraw/zinc/26/10/92/461261092.db2.gz RAWGWBKXLLCNCQ-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128255 461261099 /nfs/dbraw/zinc/26/10/99/461261099.db2.gz RAWGWBKXLLCNCQ-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP C[C@@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000638137770 461265922 /nfs/dbraw/zinc/26/59/22/461265922.db2.gz NJCABWBLWOROOC-ZHHKINOHSA-N 2 2 341.543 3.138 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000638137770 461265930 /nfs/dbraw/zinc/26/59/30/461265930.db2.gz NJCABWBLWOROOC-ZHHKINOHSA-N 2 2 341.543 3.138 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000638176444 461287894 /nfs/dbraw/zinc/28/78/94/461287894.db2.gz DQEWKSLSJNWPDL-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000638176444 461287905 /nfs/dbraw/zinc/28/79/05/461287905.db2.gz DQEWKSLSJNWPDL-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000638176444 461287913 /nfs/dbraw/zinc/28/79/13/461287913.db2.gz DQEWKSLSJNWPDL-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000638176444 461287919 /nfs/dbraw/zinc/28/79/19/461287919.db2.gz DQEWKSLSJNWPDL-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717941 461299888 /nfs/dbraw/zinc/29/98/88/461299888.db2.gz POZDLTOFVPCKSO-UXHICEINSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1COC(C)(C)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717941 461299889 /nfs/dbraw/zinc/29/98/89/461299889.db2.gz POZDLTOFVPCKSO-UXHICEINSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000649717941 461299890 /nfs/dbraw/zinc/29/98/90/461299890.db2.gz POZDLTOFVPCKSO-UXHICEINSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000649717941 461299891 /nfs/dbraw/zinc/29/98/91/461299891.db2.gz POZDLTOFVPCKSO-UXHICEINSA-N 2 2 346.515 3.167 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+]CCCc2cnn(C)c2)c2cccs2)CC1 ZINC000638291643 461350005 /nfs/dbraw/zinc/35/00/05/461350005.db2.gz RUYJSSQLRHSRKU-GOSISDBHSA-N 2 2 346.544 3.477 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655694713 461368377 /nfs/dbraw/zinc/36/83/77/461368377.db2.gz KCWODLRJTVOJPS-VQIMIIECSA-N 2 2 332.488 3.378 20 0 EGADLP COc1cc(C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccn1 ZINC000638343025 461377389 /nfs/dbraw/zinc/37/73/89/461377389.db2.gz OYCGAKVSBAYQEL-INIZCTEOSA-N 2 2 336.439 3.056 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cs2)c1OC ZINC000641801203 461380882 /nfs/dbraw/zinc/38/08/82/461380882.db2.gz AZIIRRZELFRQGC-HUUCEWRRSA-N 2 2 347.484 3.043 20 0 EGADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655722433 461390615 /nfs/dbraw/zinc/39/06/15/461390615.db2.gz AVEYPGTYJQIIEY-MJGOQNOKSA-N 2 2 342.483 3.276 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1CCCn2ccnc21 ZINC000655723305 461391674 /nfs/dbraw/zinc/39/16/74/461391674.db2.gz IYKSDUVOWOSRPM-LMMKCTJWSA-N 2 2 338.499 3.464 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000668738839 461410785 /nfs/dbraw/zinc/41/07/85/461410785.db2.gz GTEKVQGXBVHHRP-CQSZACIVSA-N 2 2 334.847 3.117 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000668738839 461410791 /nfs/dbraw/zinc/41/07/91/461410791.db2.gz GTEKVQGXBVHHRP-CQSZACIVSA-N 2 2 334.847 3.117 20 0 EGADLP Fc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655752642 461418594 /nfs/dbraw/zinc/41/85/94/461418594.db2.gz NXTODVHCESQBHS-APWZRJJASA-N 2 2 348.462 3.272 20 0 EGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655758255 461424467 /nfs/dbraw/zinc/42/44/67/461424467.db2.gz UVNOWLYZGACJGB-JBACZVJFSA-N 2 2 328.500 3.241 20 0 EGADLP COCCCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655764546 461430380 /nfs/dbraw/zinc/43/03/80/461430380.db2.gz KQFBLCWBWJJITC-NHCUHLMSSA-N 2 2 346.515 3.387 20 0 EGADLP Fc1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655765102 461430415 /nfs/dbraw/zinc/43/04/15/461430415.db2.gz YOTYLCCITRQHJG-LSTHTHJFSA-N 2 2 332.463 3.305 20 0 EGADLP Cc1cccc(Oc2ccccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653058283 461480311 /nfs/dbraw/zinc/48/03/11/461480311.db2.gz MHGGBESYGFZFNF-MRXNPFEDSA-N 2 2 327.428 3.005 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881839 461480470 /nfs/dbraw/zinc/48/04/70/461480470.db2.gz AXQAXYLBDFNZMT-RHSMWYFYSA-N 2 2 342.468 3.023 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881839 461480477 /nfs/dbraw/zinc/48/04/77/461480477.db2.gz AXQAXYLBDFNZMT-RHSMWYFYSA-N 2 2 342.468 3.023 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848043 461495838 /nfs/dbraw/zinc/49/58/38/461495838.db2.gz AAOVKODQDHXWQQ-AABGKKOBSA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848043 461495845 /nfs/dbraw/zinc/49/58/45/461495845.db2.gz AAOVKODQDHXWQQ-AABGKKOBSA-N 2 2 334.479 3.380 20 0 EGADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OCC1CCCCC1 ZINC000653094749 461498002 /nfs/dbraw/zinc/49/80/02/461498002.db2.gz OXUHQPUCVMVPET-SFHVURJKSA-N 2 2 347.503 3.172 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(OC)c1OC ZINC000655849896 461499176 /nfs/dbraw/zinc/49/91/76/461499176.db2.gz QOYSUZKQIRKKNZ-UAGQMJEPSA-N 2 2 348.487 3.380 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(OC)c1OC ZINC000655849896 461499183 /nfs/dbraw/zinc/49/91/83/461499183.db2.gz QOYSUZKQIRKKNZ-UAGQMJEPSA-N 2 2 348.487 3.380 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659931665 461501790 /nfs/dbraw/zinc/50/17/90/461501790.db2.gz SJGSCLYVAAIHIE-UHFFFAOYSA-N 2 2 342.936 3.211 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659931665 461501795 /nfs/dbraw/zinc/50/17/95/461501795.db2.gz SJGSCLYVAAIHIE-UHFFFAOYSA-N 2 2 342.936 3.211 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(F)cc1Br ZINC000631067993 461519293 /nfs/dbraw/zinc/51/92/93/461519293.db2.gz DSUQCTJLDLXQCQ-NSHDSACASA-N 2 2 345.256 3.028 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(F)cc1Br ZINC000631067993 461519303 /nfs/dbraw/zinc/51/93/03/461519303.db2.gz DSUQCTJLDLXQCQ-NSHDSACASA-N 2 2 345.256 3.028 20 0 EGADLP CC[N@@H+](Cc1cc(OC)ns1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973158 461524903 /nfs/dbraw/zinc/52/49/03/461524903.db2.gz MJZMMGWEGJTHAR-UHFFFAOYSA-N 2 2 346.500 3.285 20 0 EGADLP CC[N@H+](Cc1cc(OC)ns1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973158 461524912 /nfs/dbraw/zinc/52/49/12/461524912.db2.gz MJZMMGWEGJTHAR-UHFFFAOYSA-N 2 2 346.500 3.285 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706536 461545328 /nfs/dbraw/zinc/54/53/28/461545328.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706536 461545336 /nfs/dbraw/zinc/54/53/36/461545336.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706536 461545346 /nfs/dbraw/zinc/54/53/46/461545346.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706536 461545355 /nfs/dbraw/zinc/54/53/55/461545355.db2.gz GKLWBBRHDGOQPV-RBAQFSTRSA-N 3 2 327.516 3.427 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000631101173 461552001 /nfs/dbraw/zinc/55/20/01/461552001.db2.gz HHMFXZWPOKFTPG-RDTXWAMCSA-N 2 2 349.837 3.362 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000631101173 461552008 /nfs/dbraw/zinc/55/20/08/461552008.db2.gz HHMFXZWPOKFTPG-RDTXWAMCSA-N 2 2 349.837 3.362 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4ccccn34)ccc2n1[C@@H](C)CO ZINC000642807941 461572774 /nfs/dbraw/zinc/57/27/74/461572774.db2.gz JMAFBYHQTYCAQY-ZDUSSCGKSA-N 2 2 335.411 3.158 20 0 EGADLP COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Cl ZINC000660118771 461589878 /nfs/dbraw/zinc/58/98/78/461589878.db2.gz WKHWSBSVMMGREF-BFYDXBDKSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1Cl ZINC000660118771 461589889 /nfs/dbraw/zinc/58/98/89/461589889.db2.gz WKHWSBSVMMGREF-BFYDXBDKSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)sn1 ZINC000660127339 461599636 /nfs/dbraw/zinc/59/96/36/461599636.db2.gz LXSLOWAYAWWQBT-CQSZACIVSA-N 2 2 342.468 3.474 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)sn1 ZINC000660127339 461599642 /nfs/dbraw/zinc/59/96/42/461599642.db2.gz LXSLOWAYAWWQBT-CQSZACIVSA-N 2 2 342.468 3.474 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000647305378 461625928 /nfs/dbraw/zinc/62/59/28/461625928.db2.gz ISVGSDYOIUXNFZ-QUCCMNQESA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000647305378 461625933 /nfs/dbraw/zinc/62/59/33/461625933.db2.gz ISVGSDYOIUXNFZ-QUCCMNQESA-N 2 2 334.504 3.219 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000660197738 461630006 /nfs/dbraw/zinc/63/00/06/461630006.db2.gz OVCTYNDTCSTWRO-CTNGQTDRSA-N 2 2 342.483 3.097 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000660197738 461630013 /nfs/dbraw/zinc/63/00/13/461630013.db2.gz OVCTYNDTCSTWRO-CTNGQTDRSA-N 2 2 342.483 3.097 20 0 EGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000656202068 461646387 /nfs/dbraw/zinc/64/63/87/461646387.db2.gz XBPRICFFURBVTK-JLSDUUJJSA-N 2 2 326.440 3.067 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000638929834 461651591 /nfs/dbraw/zinc/65/15/91/461651591.db2.gz CSITZMTVTFATKN-ZBFHGGJFSA-N 2 2 340.471 3.032 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000638938392 461654613 /nfs/dbraw/zinc/65/46/13/461654613.db2.gz XPLGZFVXFPKIHF-DGCLKSJQSA-N 2 2 331.803 3.089 20 0 EGADLP c1nnc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466725 461654890 /nfs/dbraw/zinc/65/48/90/461654890.db2.gz XHGJHOWFXMPHAY-WMZOPIPTSA-N 2 2 331.508 3.138 20 0 EGADLP c1nnc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466725 461654894 /nfs/dbraw/zinc/65/48/94/461654894.db2.gz XHGJHOWFXMPHAY-WMZOPIPTSA-N 2 2 331.508 3.138 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647364898 461658949 /nfs/dbraw/zinc/65/89/49/461658949.db2.gz RCJYQGPUHLADRN-OAHLLOKOSA-N 2 2 336.439 3.494 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470641 461660681 /nfs/dbraw/zinc/66/06/81/461660681.db2.gz VVLDWRCNXIKSPA-WBVHZDCISA-N 2 2 326.488 3.346 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470641 461660685 /nfs/dbraw/zinc/66/06/85/461660685.db2.gz VVLDWRCNXIKSPA-WBVHZDCISA-N 2 2 326.488 3.346 20 0 EGADLP Cc1ccc(-c2ncc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)s2)cc1C ZINC000656258199 461680300 /nfs/dbraw/zinc/68/03/00/461680300.db2.gz POTSKAGJAOKBPK-CALCHBBNSA-N 2 2 327.497 3.420 20 0 EGADLP Cc1ccc(-c2ncc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)s2)cc1C ZINC000656258199 461680308 /nfs/dbraw/zinc/68/03/08/461680308.db2.gz POTSKAGJAOKBPK-CALCHBBNSA-N 2 2 327.497 3.420 20 0 EGADLP Cc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)s2)cc1C ZINC000656258199 461680310 /nfs/dbraw/zinc/68/03/10/461680310.db2.gz POTSKAGJAOKBPK-CALCHBBNSA-N 2 2 327.497 3.420 20 0 EGADLP Cc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)s2)cc1C ZINC000656258199 461680317 /nfs/dbraw/zinc/68/03/17/461680317.db2.gz POTSKAGJAOKBPK-CALCHBBNSA-N 2 2 327.497 3.420 20 0 EGADLP Cc1cccc2[nH+]cc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)n21 ZINC000647493757 461734050 /nfs/dbraw/zinc/73/40/50/461734050.db2.gz FULHGLGBGAVBGB-LJQANCHMSA-N 2 2 334.467 3.397 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643460275 461734583 /nfs/dbraw/zinc/73/45/83/461734583.db2.gz JCZOGIRXDZXZLM-XPGWFJOJSA-N 2 2 325.456 3.277 20 0 EGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CCO2 ZINC000643482504 461742375 /nfs/dbraw/zinc/74/23/75/461742375.db2.gz UHLLSDGNPXSAHN-CWFSZBLJSA-N 2 2 340.467 3.457 20 0 EGADLP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643497073 461747168 /nfs/dbraw/zinc/74/71/68/461747168.db2.gz UDNXWNMXQYNPCE-PMPSAXMXSA-N 2 2 339.277 3.011 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643502327 461749310 /nfs/dbraw/zinc/74/93/10/461749310.db2.gz CNSLGLQXZSBNGD-QUCCMNQESA-N 2 2 325.456 3.106 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCC1 ZINC000643517841 461750881 /nfs/dbraw/zinc/75/08/81/461750881.db2.gz JGWFVAKZZKCZAI-GJZGRUSLSA-N 2 2 339.277 3.140 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647537088 461752936 /nfs/dbraw/zinc/75/29/36/461752936.db2.gz UVSBVEMAALWOAU-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647537088 461752940 /nfs/dbraw/zinc/75/29/40/461752940.db2.gz UVSBVEMAALWOAU-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000643547008 461759962 /nfs/dbraw/zinc/75/99/62/461759962.db2.gz YICNFDAUMWXQHS-BBRMVZONSA-N 2 2 343.450 3.040 20 0 EGADLP Cc1nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663708712 461765962 /nfs/dbraw/zinc/76/59/62/461765962.db2.gz KPILPSGTSRIVME-CYBMUJFWSA-N 2 2 341.297 3.246 20 0 EGADLP Cc1nc(NC[C@H]2CC[N@H+](CC(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663708712 461765969 /nfs/dbraw/zinc/76/59/69/461765969.db2.gz KPILPSGTSRIVME-CYBMUJFWSA-N 2 2 341.297 3.246 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N(CC[NH+](C)C)Cc1ccccc1F ZINC000639168709 461776521 /nfs/dbraw/zinc/77/65/21/461776521.db2.gz DBKADJQUBMPZSL-GOSISDBHSA-N 2 2 330.451 3.074 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639177311 461782558 /nfs/dbraw/zinc/78/25/58/461782558.db2.gz RQQMAGPRJCTYEL-CYBMUJFWSA-N 2 2 328.366 3.236 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000639177311 461782562 /nfs/dbraw/zinc/78/25/62/461782562.db2.gz RQQMAGPRJCTYEL-CYBMUJFWSA-N 2 2 328.366 3.236 20 0 EGADLP C[NH2+][C@H](c1nc([C@H]2CCC[NH2+]2)no1)c1cccc(Cl)c1Cl ZINC000656562234 461786730 /nfs/dbraw/zinc/78/67/30/461786730.db2.gz YVRVLLRFHRGGQX-PWSUYJOCSA-N 2 2 327.215 3.110 20 0 EGADLP C[NH2+][C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1cccc(Cl)c1Cl ZINC000656562230 461787242 /nfs/dbraw/zinc/78/72/42/461787242.db2.gz YVRVLLRFHRGGQX-CMPLNLGQSA-N 2 2 327.215 3.110 20 0 EGADLP Cc1ccc(OCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C ZINC000660472310 461799356 /nfs/dbraw/zinc/79/93/56/461799356.db2.gz JBNUDWUKQMTUIL-FQEVSTJZSA-N 2 2 346.515 3.259 20 0 EGADLP Cc1ccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1C ZINC000660472310 461799364 /nfs/dbraw/zinc/79/93/64/461799364.db2.gz JBNUDWUKQMTUIL-FQEVSTJZSA-N 2 2 346.515 3.259 20 0 EGADLP c1n[nH]cc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000669832436 461810207 /nfs/dbraw/zinc/81/02/07/461810207.db2.gz UYNYXMSRGKTPIN-LEWJYISDSA-N 2 2 332.451 3.168 20 0 EGADLP c1n[nH]cc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000669832436 461810213 /nfs/dbraw/zinc/81/02/13/461810213.db2.gz UYNYXMSRGKTPIN-LEWJYISDSA-N 2 2 332.451 3.168 20 0 EGADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000639227684 461814744 /nfs/dbraw/zinc/81/47/44/461814744.db2.gz PMJOEFKVAIKSLL-IEBWSBKVSA-N 2 2 343.515 3.078 20 0 EGADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000639227684 461814751 /nfs/dbraw/zinc/81/47/51/461814751.db2.gz PMJOEFKVAIKSLL-IEBWSBKVSA-N 2 2 343.515 3.078 20 0 EGADLP CCC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)OC ZINC000639230910 461816853 /nfs/dbraw/zinc/81/68/53/461816853.db2.gz HFAKYHWWNWFADP-FQEVSTJZSA-N 2 2 347.503 3.014 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc2n1C1CC1 ZINC000647796959 461839925 /nfs/dbraw/zinc/83/99/25/461839925.db2.gz SFFWGXLERZHSRU-BRWVUGGUSA-N 3 2 338.499 3.411 20 0 EGADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1[nH+]ccc2[nH]ccc21 ZINC000647867296 461863663 /nfs/dbraw/zinc/86/36/63/461863663.db2.gz FDKLMYBPXMFMQH-MRXNPFEDSA-N 2 2 342.468 3.134 20 0 EGADLP Cc1cc(CO)cc(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[nH+]1 ZINC000663910335 461865791 /nfs/dbraw/zinc/86/57/91/461865791.db2.gz IAWREVRIFXWYIU-IBGZPJMESA-N 2 2 343.471 3.384 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621364 461884756 /nfs/dbraw/zinc/88/47/56/461884756.db2.gz MJBXPSXNHYDBLV-NVXWUHKLSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621364 461884763 /nfs/dbraw/zinc/88/47/63/461884763.db2.gz MJBXPSXNHYDBLV-NVXWUHKLSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621364 461884767 /nfs/dbraw/zinc/88/47/67/461884767.db2.gz MJBXPSXNHYDBLV-NVXWUHKLSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621364 461884772 /nfs/dbraw/zinc/88/47/72/461884772.db2.gz MJBXPSXNHYDBLV-NVXWUHKLSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)c1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)nc(C(C)C)[nH+]1 ZINC000663950417 461884977 /nfs/dbraw/zinc/88/49/77/461884977.db2.gz IUPPCGUOBSWATL-MRXNPFEDSA-N 2 2 332.492 3.024 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc2ccccc2c1 ZINC000647925516 461888281 /nfs/dbraw/zinc/88/82/81/461888281.db2.gz LZZSIVBVGCEIFT-HZPDHXFCSA-N 2 2 339.483 3.219 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CC(C)(C)[NH3+])c1 ZINC000656784659 461893951 /nfs/dbraw/zinc/89/39/51/461893951.db2.gz GXFYKTCVOZXQRH-UHFFFAOYSA-N 2 2 344.503 3.483 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CC(C)(C)[NH3+])c1 ZINC000656784659 461893959 /nfs/dbraw/zinc/89/39/59/461893959.db2.gz GXFYKTCVOZXQRH-UHFFFAOYSA-N 2 2 344.503 3.483 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647939055 461896651 /nfs/dbraw/zinc/89/66/51/461896651.db2.gz ZRTVCPTWMLGFKD-JCGIZDLHSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647939055 461896655 /nfs/dbraw/zinc/89/66/55/461896655.db2.gz ZRTVCPTWMLGFKD-JCGIZDLHSA-N 2 2 331.504 3.198 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647940272 461898287 /nfs/dbraw/zinc/89/82/87/461898287.db2.gz RUSXBVXLECGFND-JMSVASOKSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647940272 461898292 /nfs/dbraw/zinc/89/82/92/461898292.db2.gz RUSXBVXLECGFND-JMSVASOKSA-N 2 2 343.393 3.092 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710898 461905625 /nfs/dbraw/zinc/90/56/25/461905625.db2.gz CGFBOCDQBYMHLT-JSGCOSHPSA-N 2 2 335.521 3.172 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710898 461905630 /nfs/dbraw/zinc/90/56/30/461905630.db2.gz CGFBOCDQBYMHLT-JSGCOSHPSA-N 2 2 335.521 3.172 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(O)c2Br)[C@H]1CC[NH3+] ZINC000650711939 461905715 /nfs/dbraw/zinc/90/57/15/461905715.db2.gz JTLWWSUMQXMWPW-YPMHNXCESA-N 2 2 327.266 3.104 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Br)[C@H]1CC[NH3+] ZINC000650711939 461905719 /nfs/dbraw/zinc/90/57/19/461905719.db2.gz JTLWWSUMQXMWPW-YPMHNXCESA-N 2 2 327.266 3.104 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678611 461921805 /nfs/dbraw/zinc/92/18/05/461921805.db2.gz WVSOOGIGSJGNQR-UHFFFAOYSA-N 2 2 339.483 3.461 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000639494565 461953186 /nfs/dbraw/zinc/95/31/86/461953186.db2.gz IYAFGCLJJMMOML-INIZCTEOSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000639494565 461953191 /nfs/dbraw/zinc/95/31/91/461953191.db2.gz IYAFGCLJJMMOML-INIZCTEOSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)c1 ZINC000639533637 461974759 /nfs/dbraw/zinc/97/47/59/461974759.db2.gz RFQBFSJIHOASKA-OAHLLOKOSA-N 2 2 338.411 3.453 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)co2)c1 ZINC000639533637 461974768 /nfs/dbraw/zinc/97/47/68/461974768.db2.gz RFQBFSJIHOASKA-OAHLLOKOSA-N 2 2 338.411 3.453 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000644569383 461990149 /nfs/dbraw/zinc/99/01/49/461990149.db2.gz MXQIFNNGPCPTEH-OALUTQOASA-N 2 2 342.483 3.044 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000644569458 461990250 /nfs/dbraw/zinc/99/02/50/461990250.db2.gz QVOYIRXSBLWZQM-CVEARBPZSA-N 2 2 344.421 3.073 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@@]3(C)c3ccccc3)c2cc1C ZINC000644574754 461991928 /nfs/dbraw/zinc/99/19/28/461991928.db2.gz DJGODMNFWNBDFA-QIJUGHKUSA-N 2 2 349.478 3.334 20 0 EGADLP CCCc1noc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660853020 461996736 /nfs/dbraw/zinc/99/67/36/461996736.db2.gz NWDDKEKWLPGVMS-UHFFFAOYSA-N 2 2 339.443 3.353 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000657302519 462030134 /nfs/dbraw/zinc/03/01/34/462030134.db2.gz TYKVSZOXLFOIRO-INIZCTEOSA-N 2 2 339.439 3.080 20 0 EGADLP CC(C)COc1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000639668177 462048835 /nfs/dbraw/zinc/04/88/35/462048835.db2.gz FHNJNXGHVLSAFA-UHFFFAOYSA-N 2 2 346.515 3.048 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CCC2 ZINC000657337220 462056668 /nfs/dbraw/zinc/05/66/68/462056668.db2.gz MZNKHXRLFOHOSB-UHFFFAOYSA-N 3 2 338.499 3.495 20 0 EGADLP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657351271 462066213 /nfs/dbraw/zinc/06/62/13/462066213.db2.gz AETQOMKIHIIJPG-AWEZNQCLSA-N 2 2 331.485 3.356 20 0 EGADLP COCc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000657363081 462072720 /nfs/dbraw/zinc/07/27/20/462072720.db2.gz FZLBVHJZEWMCNX-DNVCBOLYSA-N 2 2 345.512 3.290 20 0 EGADLP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000657363081 462072726 /nfs/dbraw/zinc/07/27/26/462072726.db2.gz FZLBVHJZEWMCNX-DNVCBOLYSA-N 2 2 345.512 3.290 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000648408511 462104682 /nfs/dbraw/zinc/10/46/82/462104682.db2.gz ZYWIGORELGSMDO-NSHGMRRFSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1C ZINC000667530677 462126998 /nfs/dbraw/zinc/12/69/98/462126998.db2.gz HBCSJOMLTRYSHK-CVEARBPZSA-N 2 2 340.254 3.125 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1C ZINC000667530677 462127004 /nfs/dbraw/zinc/12/70/04/462127004.db2.gz HBCSJOMLTRYSHK-CVEARBPZSA-N 2 2 340.254 3.125 20 0 EGADLP FC(F)c1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000644920409 462129570 /nfs/dbraw/zinc/12/95/70/462129570.db2.gz BHFKSAILGBYKNL-UHFFFAOYSA-N 2 2 328.407 3.095 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000667533600 462129890 /nfs/dbraw/zinc/12/98/90/462129890.db2.gz XNUUYEQAPDUCBB-GFCCVEGCSA-N 2 2 335.249 3.255 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000648462590 462130981 /nfs/dbraw/zinc/13/09/81/462130981.db2.gz PHQVWPGPOKBSLN-ROUUACIJSA-N 2 2 325.456 3.395 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000667563412 462146564 /nfs/dbraw/zinc/14/65/64/462146564.db2.gz BYZSYLPSNCLJKL-UHFFFAOYSA-N 2 2 335.249 3.186 20 0 EGADLP O=C(C[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1 ZINC000667708005 462224301 /nfs/dbraw/zinc/22/43/01/462224301.db2.gz PJFBNHBDGSDBGU-MRXNPFEDSA-N 2 2 327.403 3.206 20 0 EGADLP O=C(C[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2)c1ccc(F)cc1 ZINC000667708005 462224308 /nfs/dbraw/zinc/22/43/08/462224308.db2.gz PJFBNHBDGSDBGU-MRXNPFEDSA-N 2 2 327.403 3.206 20 0 EGADLP c1csc(-c2nc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cs2)c1 ZINC000657751896 462251727 /nfs/dbraw/zinc/25/17/27/462251727.db2.gz VNJVCQWWTLSUMC-HNNXBMFYSA-N 2 2 349.525 3.215 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657881218 462306676 /nfs/dbraw/zinc/30/66/76/462306676.db2.gz RPVQEAKRIISBNL-HHXXYDBFSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657881218 462306683 /nfs/dbraw/zinc/30/66/83/462306683.db2.gz RPVQEAKRIISBNL-HHXXYDBFSA-N 2 2 335.923 3.202 20 0 EGADLP COC[C@H](CC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000651736356 462320161 /nfs/dbraw/zinc/32/01/61/462320161.db2.gz WKOCONXEWXIPFR-INIZCTEOSA-N 2 2 348.535 3.475 20 0 EGADLP c1csc(-c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000665238357 462362987 /nfs/dbraw/zinc/36/29/87/462362987.db2.gz WTOIZTOQIGAQKA-PKOBYXMFSA-N 2 2 328.481 3.272 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248033 462366958 /nfs/dbraw/zinc/36/69/58/462366958.db2.gz NTMCGROYDKCQGU-VAMGGRTRSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000665248033 462366962 /nfs/dbraw/zinc/36/69/62/462366962.db2.gz NTMCGROYDKCQGU-VAMGGRTRSA-N 3 2 327.516 3.148 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000654757655 462373655 /nfs/dbraw/zinc/37/36/55/462373655.db2.gz DAYSTNOEWDZINI-ROUUACIJSA-N 2 2 349.906 3.030 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000658090579 462380251 /nfs/dbraw/zinc/38/02/51/462380251.db2.gz HXVXSMPPLKTRRK-TZQQIIETSA-N 2 2 341.499 3.282 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000658090579 462380259 /nfs/dbraw/zinc/38/02/59/462380259.db2.gz HXVXSMPPLKTRRK-TZQQIIETSA-N 2 2 341.499 3.282 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095272 462381713 /nfs/dbraw/zinc/38/17/13/462381713.db2.gz FVRUSHWYAJGDDQ-RBUKOAKNSA-N 2 2 341.503 3.180 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095272 462381718 /nfs/dbraw/zinc/38/17/18/462381718.db2.gz FVRUSHWYAJGDDQ-RBUKOAKNSA-N 2 2 341.503 3.180 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000658295991 462462371 /nfs/dbraw/zinc/46/23/71/462462371.db2.gz WTKOKRQVEHONSA-CZUORRHYSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658296660 462462394 /nfs/dbraw/zinc/46/23/94/462462394.db2.gz UUMIFCYSUOWZRZ-RTWAWAEBSA-N 2 2 328.500 3.159 20 0 EGADLP CC(C)([NH3+])CC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000649302835 462473474 /nfs/dbraw/zinc/47/34/74/462473474.db2.gz VZWGXOLZOLIFNR-UHFFFAOYSA-N 2 2 340.402 3.359 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000658330167 462479155 /nfs/dbraw/zinc/47/91/55/462479155.db2.gz QQVUEORRZLSIQH-JRGCBEDISA-N 2 2 345.531 3.477 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000658330167 462479161 /nfs/dbraw/zinc/47/91/61/462479161.db2.gz QQVUEORRZLSIQH-JRGCBEDISA-N 2 2 345.531 3.477 20 0 EGADLP Cc1cc2ccccc2[nH+]c1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000532269187 477921119 /nfs/dbraw/zinc/92/11/19/477921119.db2.gz DZHRMSHTZOEREM-UHFFFAOYSA-N 2 2 347.466 3.302 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@@H+]1C1CC1 ZINC000184168842 533947901 /nfs/dbraw/zinc/94/79/01/533947901.db2.gz ZGRMAXCOCCJOQG-CJNGLKHVSA-N 2 2 344.434 3.023 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@H+]1C1CC1 ZINC000184168842 533947905 /nfs/dbraw/zinc/94/79/05/533947905.db2.gz ZGRMAXCOCCJOQG-CJNGLKHVSA-N 2 2 344.434 3.023 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)CCn3cccn3)c(C)c2)CC1 ZINC000159219482 527708534 /nfs/dbraw/zinc/70/85/34/527708534.db2.gz ATMXBKUGRWPOFW-SFHVURJKSA-N 2 2 341.503 3.224 20 0 EGADLP CC[N@@H+](Cc1c(Cl)cnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187347929 528755689 /nfs/dbraw/zinc/75/56/89/528755689.db2.gz FJKNPPIVERXBAA-UHFFFAOYSA-N 2 2 347.894 3.207 20 0 EGADLP CC[N@H+](Cc1c(Cl)cnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000187347929 528755692 /nfs/dbraw/zinc/75/56/92/528755692.db2.gz FJKNPPIVERXBAA-UHFFFAOYSA-N 2 2 347.894 3.207 20 0 EGADLP CC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000159281883 528987039 /nfs/dbraw/zinc/98/70/39/528987039.db2.gz FTHISSJWUXPBTA-UHFFFAOYSA-N 3 2 335.923 3.378 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@]4(CCCOC4)C3)sc2C1 ZINC000346187897 535250425 /nfs/dbraw/zinc/25/04/25/535250425.db2.gz BUYGFBDCSRHKLB-LJQANCHMSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@]4(CCCOC4)C3)sc2C1 ZINC000346187897 535250431 /nfs/dbraw/zinc/25/04/31/535250431.db2.gz BUYGFBDCSRHKLB-LJQANCHMSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@]4(CCCOC4)C3)sc2C1 ZINC000346187897 535250434 /nfs/dbraw/zinc/25/04/34/535250434.db2.gz BUYGFBDCSRHKLB-LJQANCHMSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)sc2C1 ZINC000346187897 535250440 /nfs/dbraw/zinc/25/04/40/535250440.db2.gz BUYGFBDCSRHKLB-LJQANCHMSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@H]3CCCO3)sc2C1 ZINC000342820124 535251827 /nfs/dbraw/zinc/25/18/27/535251827.db2.gz FYNLWSUISRIOSC-JKSUJKDBSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@H]3CCCO3)sc2C1 ZINC000342820124 535251830 /nfs/dbraw/zinc/25/18/30/535251830.db2.gz FYNLWSUISRIOSC-JKSUJKDBSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)sc2C1 ZINC000342820124 535251833 /nfs/dbraw/zinc/25/18/33/535251833.db2.gz FYNLWSUISRIOSC-JKSUJKDBSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)sc2C1 ZINC000342820124 535251837 /nfs/dbraw/zinc/25/18/37/535251837.db2.gz FYNLWSUISRIOSC-JKSUJKDBSA-N 2 2 335.517 3.053 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC([NH2+]C(C)C)CC1 ZINC000264956998 535714946 /nfs/dbraw/zinc/71/49/46/535714946.db2.gz MLEQXYMLYZJXNB-UHFFFAOYSA-N 2 2 341.455 3.378 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000187002522 535737090 /nfs/dbraw/zinc/73/70/90/535737090.db2.gz DJYHIHGAELNKJU-LSDHHAIUSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000187002522 535737092 /nfs/dbraw/zinc/73/70/92/535737092.db2.gz DJYHIHGAELNKJU-LSDHHAIUSA-N 2 2 339.886 3.252 20 0 EGADLP CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978707 535798150 /nfs/dbraw/zinc/79/81/50/535798150.db2.gz ZJSHNSSFAOCQAC-NVXWUHKLSA-N 2 2 344.434 3.028 20 0 EGADLP CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978707 535798151 /nfs/dbraw/zinc/79/81/51/535798151.db2.gz ZJSHNSSFAOCQAC-NVXWUHKLSA-N 2 2 344.434 3.028 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000173791651 536097631 /nfs/dbraw/zinc/09/76/31/536097631.db2.gz OXSZAKJGMAUHBY-VQIMIIECSA-N 2 2 347.503 3.076 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000173791651 536097635 /nfs/dbraw/zinc/09/76/35/536097635.db2.gz OXSZAKJGMAUHBY-VQIMIIECSA-N 2 2 347.503 3.076 20 0 EGADLP CCOc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000089551164 546644789 /nfs/dbraw/zinc/64/47/89/546644789.db2.gz HPBWVZCNDOIVQM-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000090403391 546656296 /nfs/dbraw/zinc/65/62/96/546656296.db2.gz LRFBXDOQCIAZGJ-CQSZACIVSA-N 2 2 331.485 3.135 20 0 EGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158895341 546931300 /nfs/dbraw/zinc/93/13/00/546931300.db2.gz RUCJUQJLXXIQFS-SJORKVTESA-N 2 2 330.472 3.485 20 0 EGADLP c1csc(-c2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)co2)c1 ZINC000161399702 546955543 /nfs/dbraw/zinc/95/55/43/546955543.db2.gz FNDNCVANEIHADQ-UHFFFAOYSA-N 2 2 326.425 3.120 20 0 EGADLP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000166435787 546990117 /nfs/dbraw/zinc/99/01/17/546990117.db2.gz MFDTZMCKCUNHEU-CYBMUJFWSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000166435787 546990120 /nfs/dbraw/zinc/99/01/20/546990120.db2.gz MFDTZMCKCUNHEU-CYBMUJFWSA-N 2 2 346.272 3.324 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cscc2Br)CCCO1 ZINC000285842781 547390713 /nfs/dbraw/zinc/39/07/13/547390713.db2.gz HQDBCHAPPRTXQR-LBPRGKRZSA-N 2 2 347.322 3.101 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cscc2Br)CCCO1 ZINC000285842781 547390720 /nfs/dbraw/zinc/39/07/20/547390720.db2.gz HQDBCHAPPRTXQR-LBPRGKRZSA-N 2 2 347.322 3.101 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339066263 547568168 /nfs/dbraw/zinc/56/81/68/547568168.db2.gz JMSJOXDGMWICSQ-IRXDYDNUSA-N 3 2 328.435 3.036 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000339066263 547568172 /nfs/dbraw/zinc/56/81/72/547568172.db2.gz JMSJOXDGMWICSQ-IRXDYDNUSA-N 3 2 328.435 3.036 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000359007614 547749183 /nfs/dbraw/zinc/74/91/83/547749183.db2.gz UWOSHOHSOCSSRF-SJLPKXTDSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000359007614 547749187 /nfs/dbraw/zinc/74/91/87/547749187.db2.gz UWOSHOHSOCSSRF-SJLPKXTDSA-N 2 2 330.472 3.298 20 0 EGADLP C[C@H](CC[N@@H+]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838892 547928628 /nfs/dbraw/zinc/92/86/28/547928628.db2.gz FOYIYSXYVNAMEN-FGTMMUONSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[N@H+]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838892 547928632 /nfs/dbraw/zinc/92/86/32/547928632.db2.gz FOYIYSXYVNAMEN-FGTMMUONSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@H](C(C)(C)C)C1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838892 547928636 /nfs/dbraw/zinc/92/86/36/547928636.db2.gz FOYIYSXYVNAMEN-FGTMMUONSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@H](C(C)(C)C)C1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838892 547928638 /nfs/dbraw/zinc/92/86/38/547928638.db2.gz FOYIYSXYVNAMEN-FGTMMUONSA-N 2 2 340.552 3.259 20 0 EGADLP Brc1ccsc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000671194972 548259346 /nfs/dbraw/zinc/25/93/46/548259346.db2.gz BTJZRWBETRLBNV-UHFFFAOYSA-N 2 2 326.263 3.333 20 0 EGADLP C[N@H+](CCOC(C)(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671241634 548267007 /nfs/dbraw/zinc/26/70/07/548267007.db2.gz AFNFMFHSKGOQJV-IBGZPJMESA-N 2 2 334.504 3.024 20 0 EGADLP C[N@@H+](CCOC(C)(C)C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671241634 548267011 /nfs/dbraw/zinc/26/70/11/548267011.db2.gz AFNFMFHSKGOQJV-IBGZPJMESA-N 2 2 334.504 3.024 20 0 EGADLP C[NH+](CCOC(C)(C)C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671241634 548267015 /nfs/dbraw/zinc/26/70/15/548267015.db2.gz AFNFMFHSKGOQJV-IBGZPJMESA-N 2 2 334.504 3.024 20 0 EGADLP C[NH+](CCOC(C)(C)C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671241634 548267019 /nfs/dbraw/zinc/26/70/19/548267019.db2.gz AFNFMFHSKGOQJV-IBGZPJMESA-N 2 2 334.504 3.024 20 0 EGADLP Cn1nc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000673811580 548632828 /nfs/dbraw/zinc/63/28/28/548632828.db2.gz GLFWTACJOHDBBX-UHFFFAOYSA-N 2 2 326.488 3.460 20 0 EGADLP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882662 548996385 /nfs/dbraw/zinc/99/63/85/548996385.db2.gz UFDXRPZELJWOMK-AEFFLSMTSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)s1 ZINC000676056430 549030265 /nfs/dbraw/zinc/03/02/65/549030265.db2.gz NMEHQPMCTYIGFI-ZDUSSCGKSA-N 2 2 348.516 3.336 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479650 549277785 /nfs/dbraw/zinc/27/77/85/549277785.db2.gz LDTRPGJODKJMEZ-YJBOKZPZSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479650 549277788 /nfs/dbraw/zinc/27/77/88/549277788.db2.gz LDTRPGJODKJMEZ-YJBOKZPZSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479650 549277791 /nfs/dbraw/zinc/27/77/91/549277791.db2.gz LDTRPGJODKJMEZ-YJBOKZPZSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479650 549277794 /nfs/dbraw/zinc/27/77/94/549277794.db2.gz LDTRPGJODKJMEZ-YJBOKZPZSA-N 2 2 346.519 3.050 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000678293378 549463988 /nfs/dbraw/zinc/46/39/88/549463988.db2.gz CKLWNJGMYVGLEO-UHFFFAOYSA-N 2 2 346.421 3.464 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000678293378 549463992 /nfs/dbraw/zinc/46/39/92/549463992.db2.gz CKLWNJGMYVGLEO-UHFFFAOYSA-N 2 2 346.421 3.464 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)ncn1 ZINC000678604263 549529359 /nfs/dbraw/zinc/52/93/59/549529359.db2.gz BXWGQMIOAGNGKV-UHFFFAOYSA-N 2 2 330.863 3.193 20 0 EGADLP Cn1ccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000680961092 549933860 /nfs/dbraw/zinc/93/38/60/549933860.db2.gz AQMIXKQBJICYQZ-UHFFFAOYSA-N 2 2 334.427 3.274 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000681095347 549953356 /nfs/dbraw/zinc/95/33/56/549953356.db2.gz SBZHLFMTLJSEDM-HXUWFJFHSA-N 2 2 340.515 3.394 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000681095347 549953358 /nfs/dbraw/zinc/95/33/58/549953358.db2.gz SBZHLFMTLJSEDM-HXUWFJFHSA-N 2 2 340.515 3.394 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000683474516 550232919 /nfs/dbraw/zinc/23/29/19/550232919.db2.gz LJSRYEHBWRXTCW-QGCDCVKKSA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000683474516 550232920 /nfs/dbraw/zinc/23/29/20/550232920.db2.gz LJSRYEHBWRXTCW-QGCDCVKKSA-N 2 2 336.479 3.360 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000684113303 550292465 /nfs/dbraw/zinc/29/24/65/550292465.db2.gz CHHFXASVMQIJPO-SJLPKXTDSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000684113303 550292467 /nfs/dbraw/zinc/29/24/67/550292467.db2.gz CHHFXASVMQIJPO-SJLPKXTDSA-N 2 2 331.504 3.422 20 0 EGADLP CCCOc1cccc2c(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc[nH+]c12 ZINC000684890237 550381046 /nfs/dbraw/zinc/38/10/46/550381046.db2.gz DTMDXJWIENMPQV-KDOFPFPSSA-N 2 2 329.444 3.155 20 0 EGADLP CCCOc1cccc2c(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc[nH+]c12 ZINC000684890237 550381048 /nfs/dbraw/zinc/38/10/48/550381048.db2.gz DTMDXJWIENMPQV-KDOFPFPSSA-N 2 2 329.444 3.155 20 0 EGADLP CN(Cc1cc(F)cc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457246 550418963 /nfs/dbraw/zinc/41/89/63/550418963.db2.gz OJZGWIPJXLTPRE-GOSISDBHSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1cc(F)cc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457246 550418966 /nfs/dbraw/zinc/41/89/66/550418966.db2.gz OJZGWIPJXLTPRE-GOSISDBHSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1nc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000685584742 550430859 /nfs/dbraw/zinc/43/08/59/550430859.db2.gz MOXHCJKPZYAWRL-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1nc(C)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000685584742 550430861 /nfs/dbraw/zinc/43/08/61/550430861.db2.gz MOXHCJKPZYAWRL-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1nc(C)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000685584742 550430863 /nfs/dbraw/zinc/43/08/63/550430863.db2.gz MOXHCJKPZYAWRL-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1nc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000685584742 550430866 /nfs/dbraw/zinc/43/08/66/550430866.db2.gz MOXHCJKPZYAWRL-FQEVSTJZSA-N 2 2 325.456 3.389 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000685880775 550451227 /nfs/dbraw/zinc/45/12/27/550451227.db2.gz ADJZHSQNMYVDMA-QGZVFWFLSA-N 2 2 332.492 3.077 20 0 EGADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCSc3ccc(F)cc3)CC2)S1 ZINC000749366504 574631359 /nfs/dbraw/zinc/63/13/59/574631359.db2.gz KGFAELJVOISGPV-CYBMUJFWSA-N 2 2 339.505 3.027 20 0 EGADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cc12 ZINC000728775100 574770412 /nfs/dbraw/zinc/77/04/12/574770412.db2.gz HNUNQAARJROQPO-UHFFFAOYSA-N 2 2 349.910 3.329 20 0 EGADLP CCCCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733794913 575391966 /nfs/dbraw/zinc/39/19/66/575391966.db2.gz HWGZQDXWJFLNIY-MOPGFXCFSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733794913 575391969 /nfs/dbraw/zinc/39/19/69/575391969.db2.gz HWGZQDXWJFLNIY-MOPGFXCFSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733794913 575391972 /nfs/dbraw/zinc/39/19/72/575391972.db2.gz HWGZQDXWJFLNIY-MOPGFXCFSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733794913 575391975 /nfs/dbraw/zinc/39/19/75/575391975.db2.gz HWGZQDXWJFLNIY-MOPGFXCFSA-N 2 2 337.552 3.269 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000734509878 575504532 /nfs/dbraw/zinc/50/45/32/575504532.db2.gz NDDHVBMLULYJBW-UKRRQHHQSA-N 2 2 348.393 3.178 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000734509878 575504535 /nfs/dbraw/zinc/50/45/35/575504535.db2.gz NDDHVBMLULYJBW-UKRRQHHQSA-N 2 2 348.393 3.178 20 0 EGADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678758607 576170341 /nfs/dbraw/zinc/17/03/41/576170341.db2.gz YYYZDODAPNUKSL-FXAWDEMLSA-N 2 2 342.483 3.229 20 0 EGADLP CCOc1cccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678758607 576170346 /nfs/dbraw/zinc/17/03/46/576170346.db2.gz YYYZDODAPNUKSL-FXAWDEMLSA-N 2 2 342.483 3.229 20 0 EGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678758609 576170388 /nfs/dbraw/zinc/17/03/88/576170388.db2.gz YYYZDODAPNUKSL-XLIONFOSSA-N 2 2 342.483 3.229 20 0 EGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678758609 576170389 /nfs/dbraw/zinc/17/03/89/576170389.db2.gz YYYZDODAPNUKSL-XLIONFOSSA-N 2 2 342.483 3.229 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693911 576184071 /nfs/dbraw/zinc/18/40/71/576184071.db2.gz HMOHBJIPLATDJO-RDTXWAMCSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693911 576184074 /nfs/dbraw/zinc/18/40/74/576184074.db2.gz HMOHBJIPLATDJO-RDTXWAMCSA-N 2 2 333.451 3.149 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846224 576816809 /nfs/dbraw/zinc/81/68/09/576816809.db2.gz GMWDGJIVHOSRBX-OALUTQOASA-N 2 2 338.455 3.024 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846224 576816810 /nfs/dbraw/zinc/81/68/10/576816810.db2.gz GMWDGJIVHOSRBX-OALUTQOASA-N 2 2 338.455 3.024 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[NH+](C)Cc3ccccc3)c2C1 ZINC000066760808 1292129770 /nfs/dbraw/zinc/12/97/70/1292129770.db2.gz UJTHIGCZRFFHLR-UHFFFAOYSA-N 2 2 337.467 3.483 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)C[NH+](C)Cc3ccccc3)c2C1 ZINC000066760808 1292129771 /nfs/dbraw/zinc/12/97/71/1292129771.db2.gz UJTHIGCZRFFHLR-UHFFFAOYSA-N 2 2 337.467 3.483 20 0 EGADLP CCC[NH+]1Cc2cccc(NC(=O)C[N@H+](C)Cc3ccccc3)c2C1 ZINC000066760808 1292129773 /nfs/dbraw/zinc/12/97/73/1292129773.db2.gz UJTHIGCZRFFHLR-UHFFFAOYSA-N 2 2 337.467 3.483 20 0 EGADLP CCC[NH+]1Cc2cccc(NC(=O)C[N@@H+](C)Cc3ccccc3)c2C1 ZINC000066760808 1292129778 /nfs/dbraw/zinc/12/97/78/1292129778.db2.gz UJTHIGCZRFFHLR-UHFFFAOYSA-N 2 2 337.467 3.483 20 0 EGADLP Cc1c(O)ccc2c(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cc(=O)oc12 ZINC000072725354 1292288238 /nfs/dbraw/zinc/28/82/38/1292288238.db2.gz BJWSPUWRISFFMX-MRXNPFEDSA-N 2 2 344.455 3.113 20 0 EGADLP Cc1c(O)ccc2c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cc(=O)oc12 ZINC000072725354 1292288243 /nfs/dbraw/zinc/28/82/43/1292288243.db2.gz BJWSPUWRISFFMX-MRXNPFEDSA-N 2 2 344.455 3.113 20 0 EGADLP Cc1c(O)ccc2c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cc(=O)oc12 ZINC000072725354 1292288254 /nfs/dbraw/zinc/28/82/54/1292288254.db2.gz BJWSPUWRISFFMX-MRXNPFEDSA-N 2 2 344.455 3.113 20 0 EGADLP Cc1c(O)ccc2c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cc(=O)oc12 ZINC000072725354 1292288257 /nfs/dbraw/zinc/28/82/57/1292288257.db2.gz BJWSPUWRISFFMX-MRXNPFEDSA-N 2 2 344.455 3.113 20 0 EGADLP CC/C(C)=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827684854 1292355351 /nfs/dbraw/zinc/35/53/51/1292355351.db2.gz HALNYVBBASNCLW-OWMNMEIYSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C(C)=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827684854 1292355359 /nfs/dbraw/zinc/35/53/59/1292355359.db2.gz HALNYVBBASNCLW-OWMNMEIYSA-N 2 2 335.536 3.138 20 0 EGADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000075774080 1292410844 /nfs/dbraw/zinc/41/08/44/1292410844.db2.gz FUKCWZIJXNDDPE-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cc(F)ccc3F)c2)CC1 ZINC000076400053 1292428595 /nfs/dbraw/zinc/42/85/95/1292428595.db2.gz JMGWBWDBJYPFBM-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP Cn1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C(C)(C)C)n1 ZINC000093947526 1292939422 /nfs/dbraw/zinc/93/94/22/1292939422.db2.gz JUGDXKPHYNAXPO-UHFFFAOYSA-N 2 2 337.471 3.252 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000120320349 1293315251 /nfs/dbraw/zinc/31/52/51/1293315251.db2.gz QNAFLSPNMMGASD-UHFFFAOYSA-N 2 2 338.517 3.390 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000126755397 1293543555 /nfs/dbraw/zinc/54/35/55/1293543555.db2.gz PLQNAVPKEDDZQL-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000131062706 1293677897 /nfs/dbraw/zinc/67/78/97/1293677897.db2.gz LPOKWDYBXZJQIQ-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP Fc1cc(F)cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000160293329 1294264672 /nfs/dbraw/zinc/26/46/72/1294264672.db2.gz CPJVKUMVHDDONQ-UHFFFAOYSA-N 2 2 332.394 3.087 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(N(C)C)[nH+]1 ZINC000162080678 1294306907 /nfs/dbraw/zinc/30/69/07/1294306907.db2.gz XXAQGKBNKUAOEG-MRXNPFEDSA-N 2 2 347.507 3.232 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(N(C)C)[nH+]1 ZINC000162080678 1294306912 /nfs/dbraw/zinc/30/69/12/1294306912.db2.gz XXAQGKBNKUAOEG-MRXNPFEDSA-N 2 2 347.507 3.232 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000163145818 1294329073 /nfs/dbraw/zinc/32/90/73/1294329073.db2.gz DZWKZJWKVRUJNA-OAQYLSRUSA-N 2 2 345.531 3.252 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000163851638 1294340384 /nfs/dbraw/zinc/34/03/84/1294340384.db2.gz KZCOMVCAWIPJJE-MRXNPFEDSA-N 2 2 338.455 3.361 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000191521623 1295688286 /nfs/dbraw/zinc/68/82/86/1295688286.db2.gz FIQVLSZKLPTGSC-UHFFFAOYSA-N 2 2 334.395 3.405 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000191521623 1295688308 /nfs/dbraw/zinc/68/83/08/1295688308.db2.gz FIQVLSZKLPTGSC-UHFFFAOYSA-N 2 2 334.395 3.405 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000236604370 1296192482 /nfs/dbraw/zinc/19/24/82/1296192482.db2.gz SSPAYCRAEKKGKO-UHFFFAOYSA-N 2 2 332.879 3.488 20 0 EGADLP COc1ncccc1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000237122335 1296221558 /nfs/dbraw/zinc/22/15/58/1296221558.db2.gz VWUZAJPZTRSOKX-UHFFFAOYSA-N 2 2 327.472 3.338 20 0 EGADLP COc1ncccc1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000237122335 1296221563 /nfs/dbraw/zinc/22/15/63/1296221563.db2.gz VWUZAJPZTRSOKX-UHFFFAOYSA-N 2 2 327.472 3.338 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000237503968 1296247809 /nfs/dbraw/zinc/24/78/09/1296247809.db2.gz XGQLPBXOMRRCFZ-IEBWSBKVSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(O)ccc1F ZINC000872018713 1296661130 /nfs/dbraw/zinc/66/11/30/1296661130.db2.gz PBBHSJGYBJURJD-OAHLLOKOSA-N 2 2 344.430 3.214 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(O)c1F ZINC000872025234 1296669253 /nfs/dbraw/zinc/66/92/53/1296669253.db2.gz ISZHGGXGKMXDEP-HNNXBMFYSA-N 2 2 344.430 3.214 20 0 EGADLP CCCC[C@H](C(=O)OC)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311016923 1297104171 /nfs/dbraw/zinc/10/41/71/1297104171.db2.gz KXPZWLXIXFANJS-HSALFYBXSA-N 2 2 344.499 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311016923 1297104178 /nfs/dbraw/zinc/10/41/78/1297104178.db2.gz KXPZWLXIXFANJS-HSALFYBXSA-N 2 2 344.499 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311016923 1297104186 /nfs/dbraw/zinc/10/41/86/1297104186.db2.gz KXPZWLXIXFANJS-HSALFYBXSA-N 2 2 344.499 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311016923 1297104190 /nfs/dbraw/zinc/10/41/90/1297104190.db2.gz KXPZWLXIXFANJS-HSALFYBXSA-N 2 2 344.499 3.172 20 0 EGADLP c1ccc(CNc2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nc[nH+]2)cc1 ZINC000872771419 1297106951 /nfs/dbraw/zinc/10/69/51/1297106951.db2.gz IIDQWDDKHGTLTM-SFHVURJKSA-N 2 2 337.471 3.057 20 0 EGADLP c1ccc(CNc2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)[nH+]cn2)cc1 ZINC000872771419 1297106955 /nfs/dbraw/zinc/10/69/55/1297106955.db2.gz IIDQWDDKHGTLTM-SFHVURJKSA-N 2 2 337.471 3.057 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208687 1297352572 /nfs/dbraw/zinc/35/25/72/1297352572.db2.gz RXIIOMKWSQRBRA-UHFFFAOYSA-N 3 2 343.496 3.141 20 0 EGADLP CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873213178 1297355914 /nfs/dbraw/zinc/35/59/14/1297355914.db2.gz YOZFMMASPNRLKT-UHFFFAOYSA-N 2 2 342.512 3.040 20 0 EGADLP CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873213178 1297355928 /nfs/dbraw/zinc/35/59/28/1297355928.db2.gz YOZFMMASPNRLKT-UHFFFAOYSA-N 2 2 342.512 3.040 20 0 EGADLP Clc1cnc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000873283123 1297408586 /nfs/dbraw/zinc/40/85/86/1297408586.db2.gz OITUAFJIEGQWPM-BLLLJJGKSA-N 2 2 335.860 3.142 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647231 1297508248 /nfs/dbraw/zinc/50/82/48/1297508248.db2.gz CBBWLPAJTMXCOF-ZIAGYGMSSA-N 2 2 331.416 3.049 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647231 1297508254 /nfs/dbraw/zinc/50/82/54/1297508254.db2.gz CBBWLPAJTMXCOF-ZIAGYGMSSA-N 2 2 331.416 3.049 20 0 EGADLP C[NH+](C)CCOc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000378871981 1297522291 /nfs/dbraw/zinc/52/22/91/1297522291.db2.gz PYGXBTGJXYMMGF-UHFFFAOYSA-N 2 2 336.439 3.425 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000378900933 1297526056 /nfs/dbraw/zinc/52/60/56/1297526056.db2.gz CHSJIDYEWQGYJQ-HKUYNNGSSA-N 2 2 327.472 3.454 20 0 EGADLP CCOc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC(F)F ZINC000378904547 1297527261 /nfs/dbraw/zinc/52/72/61/1297527261.db2.gz DQMHTHZYBKYROH-GFCCVEGCSA-N 2 2 325.359 3.062 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CC[C@@H](C)C[C@H]2n2cncn2)cc1 ZINC000423254245 1297796242 /nfs/dbraw/zinc/79/62/42/1297796242.db2.gz ZQZQGFXZIPJCKD-XFWGSAIBSA-N 2 2 341.503 3.421 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444800276 1297861024 /nfs/dbraw/zinc/86/10/24/1297861024.db2.gz JAKSFNONBJBDAB-QWHCGFSZSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444800276 1297861032 /nfs/dbraw/zinc/86/10/32/1297861032.db2.gz JAKSFNONBJBDAB-QWHCGFSZSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584116 1298244060 /nfs/dbraw/zinc/24/40/60/1298244060.db2.gz BZSRKWJNDCNGRR-HKUYNNGSSA-N 2 2 334.467 3.192 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584116 1298244071 /nfs/dbraw/zinc/24/40/71/1298244071.db2.gz BZSRKWJNDCNGRR-HKUYNNGSSA-N 2 2 334.467 3.192 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042945 1298308306 /nfs/dbraw/zinc/30/83/06/1298308306.db2.gz VWPNQFZGTRDDPZ-SLFFLAALSA-N 2 2 328.500 3.444 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042945 1298308320 /nfs/dbraw/zinc/30/83/20/1298308320.db2.gz VWPNQFZGTRDDPZ-SLFFLAALSA-N 2 2 328.500 3.444 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CCC1CCOCC1 ZINC000876828476 1299020457 /nfs/dbraw/zinc/02/04/57/1299020457.db2.gz XXPTZMWOXYKNKL-UHFFFAOYSA-N 2 2 347.503 3.066 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076203 1299147535 /nfs/dbraw/zinc/14/75/35/1299147535.db2.gz NVIUZMGWGMZCFH-ZBFHGGJFSA-N 2 2 330.863 3.273 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076203 1299147541 /nfs/dbraw/zinc/14/75/41/1299147541.db2.gz NVIUZMGWGMZCFH-ZBFHGGJFSA-N 2 2 330.863 3.273 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877115966 1299162505 /nfs/dbraw/zinc/16/25/05/1299162505.db2.gz YBXQYPYIWKKUNI-JSGCOSHPSA-N 2 2 328.287 3.390 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)co1 ZINC000878252533 1299865947 /nfs/dbraw/zinc/86/59/47/1299865947.db2.gz NVWWUKRBBRTUPK-CQSZACIVSA-N 2 2 338.411 3.453 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)co1 ZINC000878252533 1299865961 /nfs/dbraw/zinc/86/59/61/1299865961.db2.gz NVWWUKRBBRTUPK-CQSZACIVSA-N 2 2 338.411 3.453 20 0 EGADLP CC[C@@H](C)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755366208 1300328638 /nfs/dbraw/zinc/32/86/38/1300328638.db2.gz KKQKHFHPQLCWSA-QGZVFWFLSA-N 2 2 345.531 3.298 20 0 EGADLP CC[C@@H](C)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755366208 1300328652 /nfs/dbraw/zinc/32/86/52/1300328652.db2.gz KKQKHFHPQLCWSA-QGZVFWFLSA-N 2 2 345.531 3.298 20 0 EGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578929 1300613727 /nfs/dbraw/zinc/61/37/27/1300613727.db2.gz XDJGSBGBHOGLFO-PZJWPPBQSA-N 2 2 349.478 3.465 20 0 EGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578929 1300613733 /nfs/dbraw/zinc/61/37/33/1300613733.db2.gz XDJGSBGBHOGLFO-PZJWPPBQSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578929 1300613737 /nfs/dbraw/zinc/61/37/37/1300613737.db2.gz XDJGSBGBHOGLFO-PZJWPPBQSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578929 1300613744 /nfs/dbraw/zinc/61/37/44/1300613744.db2.gz XDJGSBGBHOGLFO-PZJWPPBQSA-N 2 2 349.478 3.465 20 0 EGADLP COc1ccc([C@H]2COCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000879739439 1300708560 /nfs/dbraw/zinc/70/85/60/1300708560.db2.gz RPQJOBZWHRMVIV-LJQANCHMSA-N 2 2 329.444 3.054 20 0 EGADLP COc1ccc([C@H]2COCC[N@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000879739439 1300708569 /nfs/dbraw/zinc/70/85/69/1300708569.db2.gz RPQJOBZWHRMVIV-LJQANCHMSA-N 2 2 329.444 3.054 20 0 EGADLP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844851 1301350062 /nfs/dbraw/zinc/35/00/62/1301350062.db2.gz NQFGRGAQVUILJY-IXDOHACOSA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844851 1301350071 /nfs/dbraw/zinc/35/00/71/1301350071.db2.gz NQFGRGAQVUILJY-IXDOHACOSA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844851 1301350083 /nfs/dbraw/zinc/35/00/83/1301350083.db2.gz NQFGRGAQVUILJY-IXDOHACOSA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844851 1301350090 /nfs/dbraw/zinc/35/00/90/1301350090.db2.gz NQFGRGAQVUILJY-IXDOHACOSA-N 2 2 339.524 3.191 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000762072523 1301608672 /nfs/dbraw/zinc/60/86/72/1301608672.db2.gz DHJRRUNPSVNXOJ-KRWDZBQOSA-N 2 2 348.535 3.400 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000762072523 1301608682 /nfs/dbraw/zinc/60/86/82/1301608682.db2.gz DHJRRUNPSVNXOJ-KRWDZBQOSA-N 2 2 348.535 3.400 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)ncc1F ZINC000762736598 1301741746 /nfs/dbraw/zinc/74/17/46/1301741746.db2.gz RAGDGEJYSVSYNH-SRVKXCTJSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)ncc1F ZINC000762736598 1301741749 /nfs/dbraw/zinc/74/17/49/1301741749.db2.gz RAGDGEJYSVSYNH-SRVKXCTJSA-N 2 2 342.256 3.261 20 0 EGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCOCC2)cc1 ZINC000883217892 1302314306 /nfs/dbraw/zinc/31/43/06/1302314306.db2.gz QAGHNBSPXUEZNC-PKOBYXMFSA-N 2 2 329.419 3.095 20 0 EGADLP CC(C)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccn1 ZINC000765972529 1302359266 /nfs/dbraw/zinc/35/92/66/1302359266.db2.gz AGGBOXFXGLQMTM-QUCCMNQESA-N 2 2 331.504 3.402 20 0 EGADLP CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766359913 1302438510 /nfs/dbraw/zinc/43/85/10/1302438510.db2.gz IKQVREMOLYTECB-SJORKVTESA-N 2 2 333.520 3.108 20 0 EGADLP C[C@H](Cc1ccncc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766487105 1302460132 /nfs/dbraw/zinc/46/01/32/1302460132.db2.gz CNRXNALPYJIXKU-QGZVFWFLSA-N 2 2 338.499 3.337 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)NCCC3CCCCC3)CC2)[nH+]c1C ZINC000886664172 1303544936 /nfs/dbraw/zinc/54/49/36/1303544936.db2.gz DRUULHUBUWOPDB-UHFFFAOYSA-N 2 2 346.519 3.293 20 0 EGADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026478 1304520492 /nfs/dbraw/zinc/52/04/92/1304520492.db2.gz WTZOBVRUAOHVOL-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026478 1304520495 /nfs/dbraw/zinc/52/04/95/1304520495.db2.gz WTZOBVRUAOHVOL-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783029676 1305038660 /nfs/dbraw/zinc/03/86/60/1305038660.db2.gz BYZNFQAGKYQQOX-UHFFFAOYSA-N 2 2 335.883 3.271 20 0 EGADLP Cc1cc(F)ncc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000893081837 1305697296 /nfs/dbraw/zinc/69/72/96/1305697296.db2.gz PCTBUPLMYSDYSH-UHFFFAOYSA-N 2 2 342.462 3.354 20 0 EGADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000893098395 1305705125 /nfs/dbraw/zinc/70/51/25/1305705125.db2.gz MVVFLUXLFZAHKW-JXFKEZNVSA-N 2 2 326.488 3.354 20 0 EGADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000893098395 1305705133 /nfs/dbraw/zinc/70/51/33/1305705133.db2.gz MVVFLUXLFZAHKW-JXFKEZNVSA-N 2 2 326.488 3.354 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612440 1305982065 /nfs/dbraw/zinc/98/20/65/1305982065.db2.gz MGIQRDFNXNFIKP-MSOLQXFVSA-N 2 2 345.487 3.114 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612440 1305982072 /nfs/dbraw/zinc/98/20/72/1305982072.db2.gz MGIQRDFNXNFIKP-MSOLQXFVSA-N 2 2 345.487 3.114 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000893966874 1306152092 /nfs/dbraw/zinc/15/20/92/1306152092.db2.gz SUYRQTRHXYSEDV-CYBMUJFWSA-N 2 2 338.411 3.057 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000893966874 1306152098 /nfs/dbraw/zinc/15/20/98/1306152098.db2.gz SUYRQTRHXYSEDV-CYBMUJFWSA-N 2 2 338.411 3.057 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000894021826 1306178709 /nfs/dbraw/zinc/17/87/09/1306178709.db2.gz WQNNRDLPCGMWST-OAHLLOKOSA-N 2 2 343.471 3.037 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000894021826 1306178713 /nfs/dbraw/zinc/17/87/13/1306178713.db2.gz WQNNRDLPCGMWST-OAHLLOKOSA-N 2 2 343.471 3.037 20 0 EGADLP CC[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)[NH+](CC)CC ZINC000791393336 1308978207 /nfs/dbraw/zinc/97/82/07/1308978207.db2.gz VJMQPNCJSHMADR-SFHVURJKSA-N 2 2 329.444 3.344 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1)C(C)C ZINC000791828342 1309071586 /nfs/dbraw/zinc/07/15/86/1309071586.db2.gz ZKWNIPFHAXMGET-UHFFFAOYSA-N 2 2 327.428 3.251 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1)C(C)C ZINC000791828342 1309071596 /nfs/dbraw/zinc/07/15/96/1309071596.db2.gz ZKWNIPFHAXMGET-UHFFFAOYSA-N 2 2 327.428 3.251 20 0 EGADLP COc1cccc2c(NC[C@@H]3CC[N@@H+]3C3CCOCC3)cc(C)[nH+]c12 ZINC000896520148 1309899461 /nfs/dbraw/zinc/89/94/61/1309899461.db2.gz ADFMOTBMAKNGPQ-INIZCTEOSA-N 2 2 341.455 3.217 20 0 EGADLP COc1cccc2c(NC[C@@H]3CC[N@H+]3C3CCOCC3)cc(C)[nH+]c12 ZINC000896520148 1309899465 /nfs/dbraw/zinc/89/94/65/1309899465.db2.gz ADFMOTBMAKNGPQ-INIZCTEOSA-N 2 2 341.455 3.217 20 0 EGADLP CN(c1ccccc1C[N@@H+]1CCn2cccc2C1)C1CC[NH+](C)CC1 ZINC000896760106 1310002438 /nfs/dbraw/zinc/00/24/38/1310002438.db2.gz ISBYKZFPEYSVEG-UHFFFAOYSA-N 2 2 338.499 3.034 20 0 EGADLP CN(c1ccccc1C[N@H+]1CCn2cccc2C1)C1CC[NH+](C)CC1 ZINC000896760106 1310002447 /nfs/dbraw/zinc/00/24/47/1310002447.db2.gz ISBYKZFPEYSVEG-UHFFFAOYSA-N 2 2 338.499 3.034 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C)nc(Cl)c2)cn1 ZINC000797596456 1310218243 /nfs/dbraw/zinc/21/82/43/1310218243.db2.gz YLZRNXWPHAUXFS-UHFFFAOYSA-N 2 2 327.819 3.222 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000897875789 1310501700 /nfs/dbraw/zinc/50/17/00/1310501700.db2.gz HZQDSNKRBMKFOT-MRXNPFEDSA-N 2 2 326.444 3.112 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000897875789 1310501708 /nfs/dbraw/zinc/50/17/08/1310501708.db2.gz HZQDSNKRBMKFOT-MRXNPFEDSA-N 2 2 326.444 3.112 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000800490581 1310768144 /nfs/dbraw/zinc/76/81/44/1310768144.db2.gz ICEVTAXAOLBHSS-PXNSSMCTSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000800490581 1310768148 /nfs/dbraw/zinc/76/81/48/1310768148.db2.gz ICEVTAXAOLBHSS-PXNSSMCTSA-N 2 2 326.488 3.291 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000800483762 1310768790 /nfs/dbraw/zinc/76/87/90/1310768790.db2.gz OQKKWICGRFIIBJ-XLIONFOSSA-N 2 2 331.504 3.446 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001019438705 1317244455 /nfs/dbraw/zinc/24/44/55/1317244455.db2.gz SCXAXUNGUAHPRJ-YJBOKZPZSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)[NH+](Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1)C(C)C ZINC000900515286 1317298171 /nfs/dbraw/zinc/29/81/71/1317298171.db2.gz HANOQTVNPGPHSU-UHFFFAOYSA-N 2 2 338.459 3.131 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805613400 1317395098 /nfs/dbraw/zinc/39/50/98/1317395098.db2.gz AZQYTIKGGNTJTM-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000806155677 1317467029 /nfs/dbraw/zinc/46/70/29/1317467029.db2.gz SOUFVGUPAZBIIF-ROUUACIJSA-N 2 2 329.488 3.438 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902440301 1317578674 /nfs/dbraw/zinc/57/86/74/1317578674.db2.gz YTDCVPQBZJGJIK-HGHGUNKESA-N 2 2 340.467 3.239 20 0 EGADLP CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957778033 1317641284 /nfs/dbraw/zinc/64/12/84/1317641284.db2.gz LFKPGSDMPGDSSA-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@@H+](CC1CCCCC1)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957778033 1317641293 /nfs/dbraw/zinc/64/12/93/1317641293.db2.gz LFKPGSDMPGDSSA-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP Cn1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc2cc(Cl)ccc21 ZINC000903155317 1317665106 /nfs/dbraw/zinc/66/51/06/1317665106.db2.gz YNCSTFJKQOBJBR-VHRNVKJDSA-N 2 2 344.890 3.474 20 0 EGADLP Cn1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc2cc(Cl)ccc21 ZINC000903155317 1317665114 /nfs/dbraw/zinc/66/51/14/1317665114.db2.gz YNCSTFJKQOBJBR-VHRNVKJDSA-N 2 2 344.890 3.474 20 0 EGADLP CCC[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000903829809 1317738934 /nfs/dbraw/zinc/73/89/34/1317738934.db2.gz LIXZODCGTKNPRC-IBGZPJMESA-N 3 2 329.532 3.363 20 0 EGADLP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000903829809 1317738942 /nfs/dbraw/zinc/73/89/42/1317738942.db2.gz LIXZODCGTKNPRC-IBGZPJMESA-N 3 2 329.532 3.363 20 0 EGADLP Cc1ccc(CC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]2CCCO2)cc1 ZINC000903899914 1317744742 /nfs/dbraw/zinc/74/47/42/1317744742.db2.gz YNRJJNBZHYOXHY-IRXDYDNUSA-N 2 2 326.431 3.001 20 0 EGADLP Cc1ccc(CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]2CCCO2)cc1 ZINC000903899914 1317744747 /nfs/dbraw/zinc/74/47/47/1317744747.db2.gz YNRJJNBZHYOXHY-IRXDYDNUSA-N 2 2 326.431 3.001 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000904326794 1317831101 /nfs/dbraw/zinc/83/11/01/1317831101.db2.gz SKZIVBDMNHIDLB-AEFFLSMTSA-N 2 2 326.525 3.190 20 0 EGADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326399 1317831454 /nfs/dbraw/zinc/83/14/54/1317831454.db2.gz ITGODPMGKAJRHA-NHCUHLMSSA-N 3 2 329.532 3.220 20 0 EGADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326399 1317831462 /nfs/dbraw/zinc/83/14/62/1317831462.db2.gz ITGODPMGKAJRHA-NHCUHLMSSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326399 1317831471 /nfs/dbraw/zinc/83/14/71/1317831471.db2.gz ITGODPMGKAJRHA-NHCUHLMSSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326399 1317831478 /nfs/dbraw/zinc/83/14/78/1317831478.db2.gz ITGODPMGKAJRHA-NHCUHLMSSA-N 3 2 329.532 3.220 20 0 EGADLP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000904590258 1317867019 /nfs/dbraw/zinc/86/70/19/1317867019.db2.gz TXRUZRMKYGZYCE-SMDDNHRTSA-N 2 2 326.404 3.062 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)CC2CCC3(CC2)OCCO3)CC1 ZINC000809765131 1317895859 /nfs/dbraw/zinc/89/58/59/1317895859.db2.gz KLNGIUQXTQLWRU-UHFFFAOYSA-N 2 2 348.487 3.109 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccco2)CC2CCC3(CC2)OCCO3)CC1 ZINC000809765131 1317895865 /nfs/dbraw/zinc/89/58/65/1317895865.db2.gz KLNGIUQXTQLWRU-UHFFFAOYSA-N 2 2 348.487 3.109 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000960027512 1318318738 /nfs/dbraw/zinc/31/87/38/1318318738.db2.gz FYTOMVVWTUVFOE-LPHOPBHVSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000960027512 1318318746 /nfs/dbraw/zinc/31/87/46/1318318746.db2.gz FYTOMVVWTUVFOE-LPHOPBHVSA-N 2 2 340.471 3.074 20 0 EGADLP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000960030816 1318319782 /nfs/dbraw/zinc/31/97/82/1318319782.db2.gz WEVMZKKTGJYQLR-TVPLGVNVSA-N 2 2 346.519 3.139 20 0 EGADLP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000960030816 1318319788 /nfs/dbraw/zinc/31/97/88/1318319788.db2.gz WEVMZKKTGJYQLR-TVPLGVNVSA-N 2 2 346.519 3.139 20 0 EGADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000812840319 1318469457 /nfs/dbraw/zinc/46/94/57/1318469457.db2.gz AJUMWVIQMWHKNB-CDHQVMDDSA-N 2 2 345.531 3.371 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960744223 1318846575 /nfs/dbraw/zinc/84/65/75/1318846575.db2.gz YWIVLKJPBVRLKN-GOSISDBHSA-N 2 2 348.450 3.071 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960744223 1318846582 /nfs/dbraw/zinc/84/65/82/1318846582.db2.gz YWIVLKJPBVRLKN-GOSISDBHSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000912814294 1318939745 /nfs/dbraw/zinc/93/97/45/1318939745.db2.gz VFUKNZFAIJXXAU-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905677 1319048456 /nfs/dbraw/zinc/04/84/56/1319048456.db2.gz XMQSGWWROQSFQQ-RDJZCZTQSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905677 1319048464 /nfs/dbraw/zinc/04/84/64/1319048464.db2.gz XMQSGWWROQSFQQ-RDJZCZTQSA-N 2 2 346.500 3.019 20 0 EGADLP CCOc1cccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000817949753 1319473289 /nfs/dbraw/zinc/47/32/89/1319473289.db2.gz UVUMWTOOPPTZKL-OAHLLOKOSA-N 2 2 326.444 3.063 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949343 1319473857 /nfs/dbraw/zinc/47/38/57/1319473857.db2.gz JCPSDZPQHKZGHI-XLIONFOSSA-N 3 2 345.531 3.474 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(C(OC)OC)ccc2F)CC1 ZINC000818183989 1319513121 /nfs/dbraw/zinc/51/31/21/1319513121.db2.gz HGEQJYMTCZPICS-UHFFFAOYSA-N 2 2 338.467 3.471 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445172 1319543836 /nfs/dbraw/zinc/54/38/36/1319543836.db2.gz IJIWEXFFYOGABR-GJZGRUSLSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445172 1319543841 /nfs/dbraw/zinc/54/38/41/1319543841.db2.gz IJIWEXFFYOGABR-GJZGRUSLSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819182244 1319659061 /nfs/dbraw/zinc/65/90/61/1319659061.db2.gz AIGGMNDSZHFYAD-FOIQADDNSA-N 2 2 343.446 3.069 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585618 1319708943 /nfs/dbraw/zinc/70/89/43/1319708943.db2.gz IBLZWMDYCCQTPF-JKSUJKDBSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585618 1319708952 /nfs/dbraw/zinc/70/89/52/1319708952.db2.gz IBLZWMDYCCQTPF-JKSUJKDBSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585615 1319709532 /nfs/dbraw/zinc/70/95/32/1319709532.db2.gz IBLZWMDYCCQTPF-CVEARBPZSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585615 1319709537 /nfs/dbraw/zinc/70/95/37/1319709537.db2.gz IBLZWMDYCCQTPF-CVEARBPZSA-N 2 2 346.519 3.094 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC(C[NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC000962106110 1319824734 /nfs/dbraw/zinc/82/47/34/1319824734.db2.gz HQFSACMKOCRDBP-UHFFFAOYSA-N 2 2 329.488 3.295 20 0 EGADLP CC(C)c1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000824818656 1320288799 /nfs/dbraw/zinc/28/87/99/1320288799.db2.gz IVDQNFDVZDIXKE-UHFFFAOYSA-N 2 2 343.515 3.098 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)C(C)(C)O)CC2)cc1 ZINC000825201757 1320318064 /nfs/dbraw/zinc/31/80/64/1320318064.db2.gz NKBGEMDRQSUIGA-UHFFFAOYSA-N 2 2 333.520 3.108 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517232 1320931618 /nfs/dbraw/zinc/93/16/18/1320931618.db2.gz RDEOZYYZXHKAQI-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517232 1320931620 /nfs/dbraw/zinc/93/16/20/1320931620.db2.gz RDEOZYYZXHKAQI-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP COC1([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1 ZINC000840885646 1321170478 /nfs/dbraw/zinc/17/04/78/1321170478.db2.gz ZDGZZDNBKHPSKD-MRXNPFEDSA-N 2 2 331.504 3.269 20 0 EGADLP C[NH2+]CCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000841041899 1321207690 /nfs/dbraw/zinc/20/76/90/1321207690.db2.gz JYSWXMKKINSSFG-UHFFFAOYSA-N 2 2 341.286 3.246 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000841062195 1321212001 /nfs/dbraw/zinc/21/20/01/1321212001.db2.gz SUIRDGRFOGIVBJ-PBHICJAKSA-N 2 2 346.906 3.432 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)c2cc1C ZINC000842476716 1321394330 /nfs/dbraw/zinc/39/43/30/1321394330.db2.gz STCSPHQNOJCHGR-SFHVURJKSA-N 2 2 328.456 3.407 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834824 1321815137 /nfs/dbraw/zinc/81/51/37/1321815137.db2.gz FYJGCHVIJJQKQB-HOCLYGCPSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834824 1321815140 /nfs/dbraw/zinc/81/51/40/1321815140.db2.gz FYJGCHVIJJQKQB-HOCLYGCPSA-N 2 2 337.427 3.329 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569257 1321978245 /nfs/dbraw/zinc/97/82/45/1321978245.db2.gz YIMSHUPANGIHQD-VDGAXYAQSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569257 1321978246 /nfs/dbraw/zinc/97/82/46/1321978246.db2.gz YIMSHUPANGIHQD-VDGAXYAQSA-N 2 2 341.499 3.481 20 0 EGADLP CCc1ccc2c(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc(=O)oc2c1 ZINC000848669146 1321992803 /nfs/dbraw/zinc/99/28/03/1321992803.db2.gz WSRZZWVDDMFOGR-MOPGFXCFSA-N 2 2 340.467 3.462 20 0 EGADLP CCc1ccc2c(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc(=O)oc2c1 ZINC000848669146 1321992810 /nfs/dbraw/zinc/99/28/10/1321992810.db2.gz WSRZZWVDDMFOGR-MOPGFXCFSA-N 2 2 340.467 3.462 20 0 EGADLP Cc1cccn2cc(CCNC(=[NH2+])Nc3cc(F)ccc3F)[nH+]c12 ZINC000849080611 1322069796 /nfs/dbraw/zinc/06/97/96/1322069796.db2.gz ZCXATSXIQFRJQC-UHFFFAOYSA-N 2 2 329.354 3.100 20 0 EGADLP C[N@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccc(F)cc1 ZINC000849080041 1322070437 /nfs/dbraw/zinc/07/04/37/1322070437.db2.gz FDNAGXGOQJWOCV-UHFFFAOYSA-N 2 2 336.361 3.172 20 0 EGADLP C[N@@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)Cc1ccc(F)cc1 ZINC000849080041 1322070443 /nfs/dbraw/zinc/07/04/43/1322070443.db2.gz FDNAGXGOQJWOCV-UHFFFAOYSA-N 2 2 336.361 3.172 20 0 EGADLP Cc1[nH]c(CNc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)[nH+]c1C ZINC000850169000 1322200446 /nfs/dbraw/zinc/20/04/46/1322200446.db2.gz HCGKQFQQVZKYAG-AWEZNQCLSA-N 2 2 328.460 3.359 20 0 EGADLP Cc1[nH]c(CNc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)[nH+]c1C ZINC000850169000 1322200452 /nfs/dbraw/zinc/20/04/52/1322200452.db2.gz HCGKQFQQVZKYAG-AWEZNQCLSA-N 2 2 328.460 3.359 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530561 1322341873 /nfs/dbraw/zinc/34/18/73/1322341873.db2.gz DMAZUIKRRMKNBW-IKGGRYGDSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530561 1322341874 /nfs/dbraw/zinc/34/18/74/1322341874.db2.gz DMAZUIKRRMKNBW-IKGGRYGDSA-N 2 2 339.524 3.001 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000924528516 1323043335 /nfs/dbraw/zinc/04/33/35/1323043335.db2.gz ITZFPTFHYYOPJE-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924619673 1323077760 /nfs/dbraw/zinc/07/77/60/1323077760.db2.gz GKMXJVUVXIOTRP-UXHICEINSA-N 2 2 343.515 3.275 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924619673 1323077765 /nfs/dbraw/zinc/07/77/65/1323077765.db2.gz GKMXJVUVXIOTRP-UXHICEINSA-N 2 2 343.515 3.275 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnn(C)n1 ZINC000924686813 1323112166 /nfs/dbraw/zinc/11/21/66/1323112166.db2.gz VXFXRYKQVXZMII-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnn(C)n1 ZINC000924686813 1323112170 /nfs/dbraw/zinc/11/21/70/1323112170.db2.gz VXFXRYKQVXZMII-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000852116390 1323150294 /nfs/dbraw/zinc/15/02/94/1323150294.db2.gz OZNTVOLWCDSKFP-INIZCTEOSA-N 2 2 347.503 3.154 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924871229 1323194862 /nfs/dbraw/zinc/19/48/62/1323194862.db2.gz DLYSKDMMCNQGEJ-SEJPIABJSA-N 3 2 338.499 3.367 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000924874655 1323196073 /nfs/dbraw/zinc/19/60/73/1323196073.db2.gz SBDYLWLSWBGMQE-JKSUJKDBSA-N 2 2 347.532 3.483 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000924874655 1323196084 /nfs/dbraw/zinc/19/60/84/1323196084.db2.gz SBDYLWLSWBGMQE-JKSUJKDBSA-N 2 2 347.532 3.483 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708494 1323229087 /nfs/dbraw/zinc/22/90/87/1323229087.db2.gz CCSUYHFIFRCCMU-SUMWQHHRSA-N 2 2 342.405 3.297 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708494 1323229095 /nfs/dbraw/zinc/22/90/95/1323229095.db2.gz CCSUYHFIFRCCMU-SUMWQHHRSA-N 2 2 342.405 3.297 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC000931240224 1329077764 /nfs/dbraw/zinc/07/77/64/1329077764.db2.gz JPYKXOJXBOBFHT-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001024946503 1323794957 /nfs/dbraw/zinc/79/49/57/1323794957.db2.gz PPHGZFMXMSEFJI-DAWZGUTISA-N 2 2 346.519 3.139 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000931433836 1329116668 /nfs/dbraw/zinc/11/66/68/1329116668.db2.gz INPSKRQXILZLTO-UXHICEINSA-N 2 2 349.478 3.176 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000931433836 1329116671 /nfs/dbraw/zinc/11/66/71/1329116671.db2.gz INPSKRQXILZLTO-UXHICEINSA-N 2 2 349.478 3.176 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000931433836 1329116674 /nfs/dbraw/zinc/11/66/74/1329116674.db2.gz INPSKRQXILZLTO-UXHICEINSA-N 2 2 349.478 3.176 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000931433836 1329116677 /nfs/dbraw/zinc/11/66/77/1329116677.db2.gz INPSKRQXILZLTO-UXHICEINSA-N 2 2 349.478 3.176 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226734 1324014357 /nfs/dbraw/zinc/01/43/57/1324014357.db2.gz KYUNKZCSJDMMNN-QZTJIDSGSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226734 1324014360 /nfs/dbraw/zinc/01/43/60/1324014360.db2.gz KYUNKZCSJDMMNN-QZTJIDSGSA-N 2 2 344.503 3.154 20 0 EGADLP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233185 1324019912 /nfs/dbraw/zinc/01/99/12/1324019912.db2.gz VGVNRXRNRKDEJC-ZWKOTPCHSA-N 2 2 340.471 3.122 20 0 EGADLP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233185 1324019915 /nfs/dbraw/zinc/01/99/15/1324019915.db2.gz VGVNRXRNRKDEJC-ZWKOTPCHSA-N 2 2 340.471 3.122 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255181 1324060779 /nfs/dbraw/zinc/06/07/79/1324060779.db2.gz OHJBKBQACUATKT-MOPGFXCFSA-N 2 2 344.503 3.085 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255181 1324060785 /nfs/dbraw/zinc/06/07/85/1324060785.db2.gz OHJBKBQACUATKT-MOPGFXCFSA-N 2 2 344.503 3.085 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255183 1324062931 /nfs/dbraw/zinc/06/29/31/1324062931.db2.gz OHJBKBQACUATKT-RBUKOAKNSA-N 2 2 344.503 3.085 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255183 1324062941 /nfs/dbraw/zinc/06/29/41/1324062941.db2.gz OHJBKBQACUATKT-RBUKOAKNSA-N 2 2 344.503 3.085 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424059 1324258226 /nfs/dbraw/zinc/25/82/26/1324258226.db2.gz VWGFECMMSVNACX-SJLPKXTDSA-N 2 2 342.487 3.273 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424059 1324258235 /nfs/dbraw/zinc/25/82/35/1324258235.db2.gz VWGFECMMSVNACX-SJLPKXTDSA-N 2 2 342.487 3.273 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000931752763 1329177657 /nfs/dbraw/zinc/17/76/57/1329177657.db2.gz PEXSRXPAPQIYQW-HUUCEWRRSA-N 2 2 334.426 3.437 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296965 1325081901 /nfs/dbraw/zinc/08/19/01/1325081901.db2.gz GYMIXIYYAPMJTK-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296965 1325081905 /nfs/dbraw/zinc/08/19/05/1325081905.db2.gz GYMIXIYYAPMJTK-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000925304599 1325119025 /nfs/dbraw/zinc/11/90/25/1325119025.db2.gz WWPGLOSPJVVXMD-LBPRGKRZSA-N 2 2 326.282 3.368 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000925535277 1325196598 /nfs/dbraw/zinc/19/65/98/1325196598.db2.gz VGPRHSNLOIKDGO-LJQANCHMSA-N 2 2 347.466 3.164 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1OC ZINC000925562480 1325211100 /nfs/dbraw/zinc/21/11/00/1325211100.db2.gz WZMSWJQIQAWKDX-PDTRWMKNSA-N 2 2 330.472 3.131 20 0 EGADLP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC000925629510 1325237782 /nfs/dbraw/zinc/23/77/82/1325237782.db2.gz NOXACCRHKRECKJ-VCSGRIEYSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC000925629510 1325237789 /nfs/dbraw/zinc/23/77/89/1325237789.db2.gz NOXACCRHKRECKJ-VCSGRIEYSA-N 2 2 336.483 3.460 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750129 1325283074 /nfs/dbraw/zinc/28/30/74/1325283074.db2.gz CNUNWLOEJRSAFQ-NSHDSACASA-N 2 2 337.439 3.259 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750129 1325283085 /nfs/dbraw/zinc/28/30/85/1325283085.db2.gz CNUNWLOEJRSAFQ-NSHDSACASA-N 2 2 337.439 3.259 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc21 ZINC000857076160 1325569931 /nfs/dbraw/zinc/56/99/31/1325569931.db2.gz PMQNYTCFALFTOM-HKUYNNGSSA-N 2 2 340.471 3.385 20 0 EGADLP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001027435724 1327673599 /nfs/dbraw/zinc/67/35/99/1327673599.db2.gz JPOVNPQMNKZJEX-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001027435724 1327673610 /nfs/dbraw/zinc/67/36/10/1327673610.db2.gz JPOVNPQMNKZJEX-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001027435724 1327673620 /nfs/dbraw/zinc/67/36/20/1327673620.db2.gz JPOVNPQMNKZJEX-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001027435724 1327673629 /nfs/dbraw/zinc/67/36/29/1327673629.db2.gz JPOVNPQMNKZJEX-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609266 1327969484 /nfs/dbraw/zinc/96/94/84/1327969484.db2.gz CLTNGZRQJGEYQB-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609266 1327969488 /nfs/dbraw/zinc/96/94/88/1327969488.db2.gz CLTNGZRQJGEYQB-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609266 1327969491 /nfs/dbraw/zinc/96/94/91/1327969491.db2.gz CLTNGZRQJGEYQB-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609266 1327969495 /nfs/dbraw/zinc/96/94/95/1327969495.db2.gz CLTNGZRQJGEYQB-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609234 1327970697 /nfs/dbraw/zinc/97/06/97/1327970697.db2.gz BKTRCKHSYWEZAE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609234 1327970702 /nfs/dbraw/zinc/97/07/02/1327970702.db2.gz BKTRCKHSYWEZAE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609234 1327970707 /nfs/dbraw/zinc/97/07/07/1327970707.db2.gz BKTRCKHSYWEZAE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609234 1327970711 /nfs/dbraw/zinc/97/07/11/1327970711.db2.gz BKTRCKHSYWEZAE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628658 1327992741 /nfs/dbraw/zinc/99/27/41/1327992741.db2.gz HOKFLVITRZYMQL-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628658 1327992745 /nfs/dbraw/zinc/99/27/45/1327992745.db2.gz HOKFLVITRZYMQL-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)OC(=O)N[C@H](C[NH2+]CC[NH+]1CCCCCC1)CC(F)F ZINC000865407240 1329692419 /nfs/dbraw/zinc/69/24/19/1329692419.db2.gz BCWXXNJLTZFCEZ-AWEZNQCLSA-N 2 2 349.466 3.001 20 0 EGADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@@H]21 ZINC000865616427 1329720525 /nfs/dbraw/zinc/72/05/25/1329720525.db2.gz HMJQHPZHVRWHQS-MSOLQXFVSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CCC[C@@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@@H]21 ZINC000865616427 1329720526 /nfs/dbraw/zinc/72/05/26/1329720526.db2.gz HMJQHPZHVRWHQS-MSOLQXFVSA-N 2 2 337.471 3.009 20 0 EGADLP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000865715348 1329732001 /nfs/dbraw/zinc/73/20/01/1329732001.db2.gz PSJAQSWMWHTYMQ-UHFFFAOYSA-N 3 2 326.488 3.472 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000866660979 1330138809 /nfs/dbraw/zinc/13/88/09/1330138809.db2.gz JZLWNUHJPGTKCP-ZFWWWQNUSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000866660979 1330138811 /nfs/dbraw/zinc/13/88/11/1330138811.db2.gz JZLWNUHJPGTKCP-ZFWWWQNUSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703940 1330142357 /nfs/dbraw/zinc/14/23/57/1330142357.db2.gz QKMSJEFJPIEZIU-GOSISDBHSA-N 2 2 337.895 3.284 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703940 1330142359 /nfs/dbraw/zinc/14/23/59/1330142359.db2.gz QKMSJEFJPIEZIU-GOSISDBHSA-N 2 2 337.895 3.284 20 0 EGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806137 1332678610 /nfs/dbraw/zinc/67/86/10/1332678610.db2.gz AYEDDCXYEWYSKF-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806137 1332678611 /nfs/dbraw/zinc/67/86/11/1332678611.db2.gz AYEDDCXYEWYSKF-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)c[nH+]1 ZINC000947436430 1333127021 /nfs/dbraw/zinc/12/70/21/1333127021.db2.gz ITGHXADSMSWDFP-WMZOPIPTSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)c[nH+]1 ZINC000947436430 1333127023 /nfs/dbraw/zinc/12/70/23/1333127023.db2.gz ITGHXADSMSWDFP-WMZOPIPTSA-N 2 2 346.519 3.086 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947881819 1333289806 /nfs/dbraw/zinc/28/98/06/1333289806.db2.gz JRCYQYLORZTTJC-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947881819 1333289808 /nfs/dbraw/zinc/28/98/08/1333289808.db2.gz JRCYQYLORZTTJC-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947979118 1333330181 /nfs/dbraw/zinc/33/01/81/1333330181.db2.gz AXBVCIUHIJXRIN-CRAIPNDOSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947979118 1333330185 /nfs/dbraw/zinc/33/01/85/1333330185.db2.gz AXBVCIUHIJXRIN-CRAIPNDOSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)C2)c[nH+]1 ZINC001007594195 1336672856 /nfs/dbraw/zinc/67/28/56/1336672856.db2.gz HEDIQFDFQPWMJY-GOSISDBHSA-N 2 2 344.503 3.008 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)C2)c[nH+]1 ZINC001007594195 1336672857 /nfs/dbraw/zinc/67/28/57/1336672857.db2.gz HEDIQFDFQPWMJY-GOSISDBHSA-N 2 2 344.503 3.008 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642766 1336682053 /nfs/dbraw/zinc/68/20/53/1336682053.db2.gz VQSVPFAQYRDHJT-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642766 1336682056 /nfs/dbraw/zinc/68/20/56/1336682056.db2.gz VQSVPFAQYRDHJT-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015938163 1338366587 /nfs/dbraw/zinc/36/65/87/1338366587.db2.gz LHKYCSNUAPNEBH-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015938163 1338366590 /nfs/dbraw/zinc/36/65/90/1338366590.db2.gz LHKYCSNUAPNEBH-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001017170316 1338915778 /nfs/dbraw/zinc/91/57/78/1338915778.db2.gz XKOYKXHKJILCCQ-KRWDZBQOSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001017170316 1338915781 /nfs/dbraw/zinc/91/57/81/1338915781.db2.gz XKOYKXHKJILCCQ-KRWDZBQOSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239429 1340500165 /nfs/dbraw/zinc/50/01/65/1340500165.db2.gz MTMVWQAJTYATSZ-IBGZPJMESA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239429 1340500167 /nfs/dbraw/zinc/50/01/67/1340500167.db2.gz MTMVWQAJTYATSZ-IBGZPJMESA-N 2 2 338.455 3.033 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029105982 1340931430 /nfs/dbraw/zinc/93/14/30/1340931430.db2.gz GLXGDQAQUAOESK-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029105982 1340931431 /nfs/dbraw/zinc/93/14/31/1340931431.db2.gz GLXGDQAQUAOESK-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[N@H+](C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)CC1CCCCCC1 ZINC001029752664 1341063945 /nfs/dbraw/zinc/06/39/45/1341063945.db2.gz NJGGAMNNBIAAKD-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)CC1CCCCCC1 ZINC001029752664 1341063946 /nfs/dbraw/zinc/06/39/46/1341063946.db2.gz NJGGAMNNBIAAKD-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001029752664 1341063947 /nfs/dbraw/zinc/06/39/47/1341063947.db2.gz NJGGAMNNBIAAKD-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001029752664 1341063948 /nfs/dbraw/zinc/06/39/48/1341063948.db2.gz NJGGAMNNBIAAKD-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCCC3)C2)c1 ZINC001030312603 1341177844 /nfs/dbraw/zinc/17/78/44/1341177844.db2.gz CLMHGKXLANNCHK-QGZVFWFLSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001030527708 1341194324 /nfs/dbraw/zinc/19/43/24/1341194324.db2.gz QHGVTZDIAXNHNH-HNNXBMFYSA-N 2 2 348.450 3.355 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001031034826 1341267885 /nfs/dbraw/zinc/26/78/85/1341267885.db2.gz GCDPHZPRGOWPDL-IRXDYDNUSA-N 2 2 346.519 3.023 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773107 1341399832 /nfs/dbraw/zinc/39/98/32/1341399832.db2.gz MFZAWIVXPNZJOO-OAHLLOKOSA-N 2 2 348.450 3.294 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032473851 1341517761 /nfs/dbraw/zinc/51/77/61/1341517761.db2.gz FRTAWCYUAZHVAX-LDDOYCOJSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032473851 1341517763 /nfs/dbraw/zinc/51/77/63/1341517763.db2.gz FRTAWCYUAZHVAX-LDDOYCOJSA-N 2 2 349.906 3.026 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839640 1341631045 /nfs/dbraw/zinc/63/10/45/1341631045.db2.gz RRGASMMUBOIOSI-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839640 1341631047 /nfs/dbraw/zinc/63/10/47/1341631047.db2.gz RRGASMMUBOIOSI-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839640 1341631048 /nfs/dbraw/zinc/63/10/48/1341631048.db2.gz RRGASMMUBOIOSI-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839640 1341631050 /nfs/dbraw/zinc/63/10/50/1341631050.db2.gz RRGASMMUBOIOSI-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192897 1341749168 /nfs/dbraw/zinc/74/91/68/1341749168.db2.gz YWYNXGQWCVHSRQ-YJBOKZPZSA-N 2 2 348.450 3.470 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192897 1341749171 /nfs/dbraw/zinc/74/91/71/1341749171.db2.gz YWYNXGQWCVHSRQ-YJBOKZPZSA-N 2 2 348.450 3.470 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033192899 1341749395 /nfs/dbraw/zinc/74/93/95/1341749395.db2.gz YXIFRIBZOMIHQQ-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033192899 1341749396 /nfs/dbraw/zinc/74/93/96/1341749396.db2.gz YXIFRIBZOMIHQQ-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554092 1341869263 /nfs/dbraw/zinc/86/92/63/1341869263.db2.gz NKLIQCGCUBKKQQ-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554092 1341869264 /nfs/dbraw/zinc/86/92/64/1341869264.db2.gz NKLIQCGCUBKKQQ-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033834177 1342033910 /nfs/dbraw/zinc/03/39/10/1342033910.db2.gz UQPXQHRIFRXRAQ-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033834177 1342033911 /nfs/dbraw/zinc/03/39/11/1342033911.db2.gz UQPXQHRIFRXRAQ-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873138 1342052205 /nfs/dbraw/zinc/05/22/05/1342052205.db2.gz MZVNCPSVVQDEFQ-GDBMZVCRSA-N 2 2 328.460 3.145 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873138 1342052206 /nfs/dbraw/zinc/05/22/06/1342052206.db2.gz MZVNCPSVVQDEFQ-GDBMZVCRSA-N 2 2 328.460 3.145 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206479 1342317112 /nfs/dbraw/zinc/31/71/12/1342317112.db2.gz IXYCYHXBWSPADG-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206479 1342317116 /nfs/dbraw/zinc/31/71/16/1342317116.db2.gz IXYCYHXBWSPADG-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001034260230 1342353247 /nfs/dbraw/zinc/35/32/47/1342353247.db2.gz GQLNOSKZFHJKRP-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001034260230 1342353248 /nfs/dbraw/zinc/35/32/48/1342353248.db2.gz GQLNOSKZFHJKRP-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001034761347 1342742627 /nfs/dbraw/zinc/74/26/27/1342742627.db2.gz MELQIJPORQYSBR-BZSNNMDCSA-N 2 2 340.471 3.121 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(C[NH+](CC(C)C)C3)CC2)c(C)[nH+]1 ZINC001035753317 1343170932 /nfs/dbraw/zinc/17/09/32/1343170932.db2.gz QTIKEBUPSDFQHU-UHFFFAOYSA-N 2 2 329.488 3.201 20 0 EGADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036314104 1343414516 /nfs/dbraw/zinc/41/45/16/1343414516.db2.gz MJWHLIPMPNMJTK-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036749735 1343673474 /nfs/dbraw/zinc/67/34/74/1343673474.db2.gz BEHZIFAKGXLGCZ-BEFAXECRSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036749735 1343673476 /nfs/dbraw/zinc/67/34/76/1343673476.db2.gz BEHZIFAKGXLGCZ-BEFAXECRSA-N 2 2 338.455 3.066 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037158598 1344008480 /nfs/dbraw/zinc/00/84/80/1344008480.db2.gz UCHRKAWSCURTCP-ROUUACIJSA-N 2 2 346.519 3.106 20 0 EGADLP CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001040724854 1345571534 /nfs/dbraw/zinc/57/15/34/1345571534.db2.gz WVNJYYNODFXFRX-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001040724854 1345571536 /nfs/dbraw/zinc/57/15/36/1345571536.db2.gz WVNJYYNODFXFRX-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042311824 1346028581 /nfs/dbraw/zinc/02/85/81/1346028581.db2.gz AGTSIFBESISKIR-JKSUJKDBSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042311824 1346028584 /nfs/dbraw/zinc/02/85/84/1346028584.db2.gz AGTSIFBESISKIR-JKSUJKDBSA-N 2 2 346.519 3.046 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2C[NH+](CCCC3CCCC3)C2)c[nH+]1 ZINC001043060418 1346135284 /nfs/dbraw/zinc/13/52/84/1346135284.db2.gz SJJOIPXZYNCVAU-UHFFFAOYSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044624196 1346385590 /nfs/dbraw/zinc/38/55/90/1346385590.db2.gz FKQTUMPSQPFBAO-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044624196 1346385594 /nfs/dbraw/zinc/38/55/94/1346385594.db2.gz FKQTUMPSQPFBAO-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP CC1(C)CC(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001045092046 1346493620 /nfs/dbraw/zinc/49/36/20/1346493620.db2.gz QJDZLOVIGWAYBK-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934666 1346772040 /nfs/dbraw/zinc/77/20/40/1346772040.db2.gz AIBNMABGJNOWOY-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934666 1346772043 /nfs/dbraw/zinc/77/20/43/1346772043.db2.gz AIBNMABGJNOWOY-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001047863394 1347393381 /nfs/dbraw/zinc/39/33/81/1347393381.db2.gz CUXVOGSSWNOSSX-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001047863394 1347393384 /nfs/dbraw/zinc/39/33/84/1347393384.db2.gz CUXVOGSSWNOSSX-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 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CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598508 1364648930 /nfs/dbraw/zinc/64/89/30/1364648930.db2.gz ROOYZBBJIOODQS-AATRIKPKSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H]1C[N@H+](CCCCCF)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001102088370 1364848303 /nfs/dbraw/zinc/84/83/03/1364848303.db2.gz UEEXCYGAVFCKDF-GDBMZVCRSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001102088370 1364848307 /nfs/dbraw/zinc/84/83/07/1364848307.db2.gz UEEXCYGAVFCKDF-GDBMZVCRSA-N 2 2 346.450 3.000 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414590 1365044867 /nfs/dbraw/zinc/04/48/67/1365044867.db2.gz KBCRRJXMCAAOFE-KZNAEPCWSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414590 1365044870 /nfs/dbraw/zinc/04/48/70/1365044870.db2.gz KBCRRJXMCAAOFE-KZNAEPCWSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106837 1365383100 /nfs/dbraw/zinc/38/31/00/1365383100.db2.gz HJKGKUSAAHOJFQ-BRSBDYLESA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106837 1365383104 /nfs/dbraw/zinc/38/31/04/1365383104.db2.gz HJKGKUSAAHOJFQ-BRSBDYLESA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106837 1365383106 /nfs/dbraw/zinc/38/31/06/1365383106.db2.gz HJKGKUSAAHOJFQ-BRSBDYLESA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106837 1365383111 /nfs/dbraw/zinc/38/31/11/1365383111.db2.gz HJKGKUSAAHOJFQ-BRSBDYLESA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2C)c(C)[nH+]1 ZINC001103255380 1365459339 /nfs/dbraw/zinc/45/93/39/1365459339.db2.gz XUSHOHQKMUCEFO-UHZVSMRUSA-N 2 2 349.906 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2C)c(C)[nH+]1 ZINC001103255380 1365459342 /nfs/dbraw/zinc/45/93/42/1365459342.db2.gz XUSHOHQKMUCEFO-UHZVSMRUSA-N 2 2 349.906 3.447 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001104966954 1366246000 /nfs/dbraw/zinc/24/60/00/1366246000.db2.gz KRWXMVNCRPFHEQ-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097658 1366325637 /nfs/dbraw/zinc/32/56/37/1366325637.db2.gz WKJJBRCNTMIFAN-NYQZOWANSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288990 1366644104 /nfs/dbraw/zinc/64/41/04/1366644104.db2.gz WGACZAJTXAJBEI-QRVBRYPASA-N 2 2 346.519 3.121 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106419295 1366690079 /nfs/dbraw/zinc/69/00/79/1366690079.db2.gz DAMOSIUOPIVXJC-HZPDHXFCSA-N 2 2 342.487 3.068 20 0 EGADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001109448300 1367128401 /nfs/dbraw/zinc/12/84/01/1367128401.db2.gz JWBYJRVCTNGGON-HFTRVMKXSA-N 2 2 344.434 3.038 20 0 EGADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001109448300 1367128410 /nfs/dbraw/zinc/12/84/10/1367128410.db2.gz JWBYJRVCTNGGON-HFTRVMKXSA-N 2 2 344.434 3.038 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109705259 1367287606 /nfs/dbraw/zinc/28/76/06/1367287606.db2.gz XDXSIJSSVFUZRT-LMSBXDPUSA-N 2 2 344.503 3.131 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109705259 1367287612 /nfs/dbraw/zinc/28/76/12/1367287612.db2.gz XDXSIJSSVFUZRT-LMSBXDPUSA-N 2 2 344.503 3.131 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900495 1367378799 /nfs/dbraw/zinc/37/87/99/1367378799.db2.gz QEWMAXJSFVJMGS-GIFJBRJJSA-N 2 2 346.519 3.206 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900495 1367378806 /nfs/dbraw/zinc/37/88/06/1367378806.db2.gz QEWMAXJSFVJMGS-GIFJBRJJSA-N 2 2 346.519 3.206 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192917 1367558301 /nfs/dbraw/zinc/55/83/01/1367558301.db2.gz IXMKCXVNOPMDSN-LRNBNCDBSA-N 2 2 344.503 3.131 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192917 1367558309 /nfs/dbraw/zinc/55/83/09/1367558309.db2.gz IXMKCXVNOPMDSN-LRNBNCDBSA-N 2 2 344.503 3.131 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799654 1367602932 /nfs/dbraw/zinc/60/29/32/1367602932.db2.gz QPFODRMCTIDIPM-XHSDSOJGSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108836795 1367628756 /nfs/dbraw/zinc/62/87/56/1367628756.db2.gz ZJXFMNBUSJNZEY-FHWLQOOXSA-N 2 2 346.519 3.069 20 0 EGADLP Cc1cccnc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001325159738 1387908092 /nfs/dbraw/zinc/90/80/92/1387908092.db2.gz XTKOJZSMLMHWRJ-INIZCTEOSA-N 2 2 342.462 3.132 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194440100 1368262817 /nfs/dbraw/zinc/26/28/17/1368262817.db2.gz UAABBIKNSLMPRW-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194440100 1368262821 /nfs/dbraw/zinc/26/28/21/1368262821.db2.gz UAABBIKNSLMPRW-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP COc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1Cl ZINC001197929000 1368926059 /nfs/dbraw/zinc/92/60/59/1368926059.db2.gz BTYHLBNRACRJJL-CQSZACIVSA-N 2 2 331.847 3.454 20 0 EGADLP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1Cl ZINC001197929000 1368926060 /nfs/dbraw/zinc/92/60/60/1368926060.db2.gz BTYHLBNRACRJJL-CQSZACIVSA-N 2 2 331.847 3.454 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001197929665 1368926181 /nfs/dbraw/zinc/92/61/81/1368926181.db2.gz KFKWSXYGSOGNMH-SCLBCKFNSA-N 2 2 349.837 3.118 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001197929665 1368926190 /nfs/dbraw/zinc/92/61/90/1368926190.db2.gz KFKWSXYGSOGNMH-SCLBCKFNSA-N 2 2 349.837 3.118 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCCCC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001325448278 1387975339 /nfs/dbraw/zinc/97/53/39/1387975339.db2.gz HAIUMTUSUHRRKO-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001113035226 1369154980 /nfs/dbraw/zinc/15/49/80/1369154980.db2.gz QKXCSWDQDXGEMG-SFHVURJKSA-N 2 2 349.494 3.151 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113035226 1369154984 /nfs/dbraw/zinc/15/49/84/1369154984.db2.gz QKXCSWDQDXGEMG-SFHVURJKSA-N 2 2 349.494 3.151 20 0 EGADLP CCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529109 1369479704 /nfs/dbraw/zinc/47/97/04/1369479704.db2.gz DFADLWTWYSDYON-IBGZPJMESA-N 2 2 331.504 3.014 20 0 EGADLP CCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529109 1369479707 /nfs/dbraw/zinc/47/97/07/1369479707.db2.gz DFADLWTWYSDYON-IBGZPJMESA-N 2 2 331.504 3.014 20 0 EGADLP CC/C=C/CC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201260101 1369505913 /nfs/dbraw/zinc/50/59/13/1369505913.db2.gz KHKGWVFYEFFJHG-ONEGZZNKSA-N 2 2 326.444 3.113 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCC(F)(F)F)[C@@H]2C ZINC001202405409 1369762393 /nfs/dbraw/zinc/76/23/93/1369762393.db2.gz SAPWSMKZENSLSK-CYBMUJFWSA-N 2 2 332.414 3.442 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCC(F)(F)F)[C@@H]2C ZINC001202405409 1369762397 /nfs/dbraw/zinc/76/23/97/1369762397.db2.gz SAPWSMKZENSLSK-CYBMUJFWSA-N 2 2 332.414 3.442 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCC(F)(F)F)[C@@H]2C ZINC001202405409 1369762399 /nfs/dbraw/zinc/76/23/99/1369762399.db2.gz SAPWSMKZENSLSK-CYBMUJFWSA-N 2 2 332.414 3.442 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCC(F)(F)F)[C@@H]2C ZINC001202405409 1369762403 /nfs/dbraw/zinc/76/24/03/1369762403.db2.gz SAPWSMKZENSLSK-CYBMUJFWSA-N 2 2 332.414 3.442 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404829 1369762643 /nfs/dbraw/zinc/76/26/43/1369762643.db2.gz IYHFHLGZSISQRJ-OLZOCXBDSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404829 1369762647 /nfs/dbraw/zinc/76/26/47/1369762647.db2.gz IYHFHLGZSISQRJ-OLZOCXBDSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202404829 1369762650 /nfs/dbraw/zinc/76/26/50/1369762650.db2.gz IYHFHLGZSISQRJ-OLZOCXBDSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202404829 1369762653 /nfs/dbraw/zinc/76/26/53/1369762653.db2.gz IYHFHLGZSISQRJ-OLZOCXBDSA-N 2 2 333.423 3.382 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@@H]3C2)nc1 ZINC001203028420 1369959786 /nfs/dbraw/zinc/95/97/86/1369959786.db2.gz LHPCRICNHNWNPF-NHCUHLMSSA-N 2 2 333.479 3.134 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001203135990 1369994625 /nfs/dbraw/zinc/99/46/25/1369994625.db2.gz GZWWGGFQDKWFDP-UHFFFAOYSA-N 2 2 336.439 3.319 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001203135990 1369994627 /nfs/dbraw/zinc/99/46/27/1369994627.db2.gz GZWWGGFQDKWFDP-UHFFFAOYSA-N 2 2 336.439 3.319 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001203502417 1370146802 /nfs/dbraw/zinc/14/68/02/1370146802.db2.gz VRQIHXIMMNYADN-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001203502417 1370146804 /nfs/dbraw/zinc/14/68/04/1370146804.db2.gz VRQIHXIMMNYADN-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP CC(=O)Oc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001203951537 1370327361 /nfs/dbraw/zinc/32/73/61/1370327361.db2.gz LXHFIQHMHJMBRU-UHFFFAOYSA-N 2 2 334.435 3.010 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](Cc2cccnc2)CC3)cs1 ZINC001204074689 1370368812 /nfs/dbraw/zinc/36/88/12/1370368812.db2.gz PQBUWQNXWKFGBI-UHFFFAOYSA-N 2 2 342.512 3.477 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](Cc2cccnc2)CC3)cs1 ZINC001204074689 1370368814 /nfs/dbraw/zinc/36/88/14/1370368814.db2.gz PQBUWQNXWKFGBI-UHFFFAOYSA-N 2 2 342.512 3.477 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@H]3C2)nc1 ZINC001204502808 1370495482 /nfs/dbraw/zinc/49/54/82/1370495482.db2.gz SLRCZPXOJYMHMC-RTBURBONSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1[nH+]c2c(Nc3cccc(CN4CC[NH+](C)CC4)c3)cccn2c1C ZINC001204517136 1370499717 /nfs/dbraw/zinc/49/97/17/1370499717.db2.gz FJDBKBKZZLVOPG-UHFFFAOYSA-N 2 2 349.482 3.442 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115510375 1370509599 /nfs/dbraw/zinc/50/95/99/1370509599.db2.gz TUIJKTZPCPHKSD-UHFFFAOYSA-N 2 2 344.503 3.251 20 0 EGADLP [NH3+][C@@H]1C[N@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)CC12CC2 ZINC001204912601 1370603932 /nfs/dbraw/zinc/60/39/32/1370603932.db2.gz WYZAXLDYTALDOU-MRXNPFEDSA-N 2 2 331.822 3.464 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(-c3cnc(Cl)c(F)c3)cc2)CC12CC2 ZINC001204912601 1370603937 /nfs/dbraw/zinc/60/39/37/1370603937.db2.gz WYZAXLDYTALDOU-MRXNPFEDSA-N 2 2 331.822 3.464 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2c(F)ccc(Br)c2Cl)CC1 ZINC001205040507 1370636005 /nfs/dbraw/zinc/63/60/05/1370636005.db2.gz FTHAVIRURFRMTQ-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP CC[C@H](C)C[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205290575 1370708272 /nfs/dbraw/zinc/70/82/72/1370708272.db2.gz LDXGKCOMHZVJAO-HNNXBMFYSA-N 2 2 342.487 3.131 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765899 1370750080 /nfs/dbraw/zinc/75/00/80/1370750080.db2.gz KYCGXIUISVVCFP-CHYADLBTSA-N 2 2 346.519 3.353 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765899 1370750083 /nfs/dbraw/zinc/75/00/83/1370750083.db2.gz KYCGXIUISVVCFP-CHYADLBTSA-N 2 2 346.519 3.353 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765884 1370750534 /nfs/dbraw/zinc/75/05/34/1370750534.db2.gz JZACLFHOEKFEHJ-QGZVFWFLSA-N 2 2 348.535 3.433 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765884 1370750536 /nfs/dbraw/zinc/75/05/36/1370750536.db2.gz JZACLFHOEKFEHJ-QGZVFWFLSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001205650873 1370827588 /nfs/dbraw/zinc/82/75/88/1370827588.db2.gz WEFHLXULRAWQPH-KXBFYZLASA-N 2 2 332.488 3.446 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001205650873 1370827592 /nfs/dbraw/zinc/82/75/92/1370827592.db2.gz WEFHLXULRAWQPH-KXBFYZLASA-N 2 2 332.488 3.446 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnoc3)C[C@@H]21 ZINC001205689912 1370843566 /nfs/dbraw/zinc/84/35/66/1370843566.db2.gz QBPXICYQIQLXNA-BPQIPLTHSA-N 2 2 331.485 3.469 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnoc3)C[C@@H]21 ZINC001205689912 1370843571 /nfs/dbraw/zinc/84/35/71/1370843571.db2.gz QBPXICYQIQLXNA-BPQIPLTHSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnoc3)C[C@@H]21 ZINC001205689912 1370843579 /nfs/dbraw/zinc/84/35/79/1370843579.db2.gz QBPXICYQIQLXNA-BPQIPLTHSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnoc3)C[C@@H]21 ZINC001205689912 1370843585 /nfs/dbraw/zinc/84/35/85/1370843585.db2.gz QBPXICYQIQLXNA-BPQIPLTHSA-N 2 2 331.485 3.469 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc21 ZINC001205795986 1370874196 /nfs/dbraw/zinc/87/41/96/1370874196.db2.gz MQCIDRCKLRCLJG-INIZCTEOSA-N 3 2 335.442 3.104 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc21 ZINC001205795986 1370874199 /nfs/dbraw/zinc/87/41/99/1370874199.db2.gz MQCIDRCKLRCLJG-INIZCTEOSA-N 3 2 335.442 3.104 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205805187 1370877933 /nfs/dbraw/zinc/87/79/33/1370877933.db2.gz KKSANYIXFRELMB-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901024 1370904966 /nfs/dbraw/zinc/90/49/66/1370904966.db2.gz AOMVKVDHNPZMGD-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901024 1370904970 /nfs/dbraw/zinc/90/49/70/1370904970.db2.gz AOMVKVDHNPZMGD-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cccc(O)c2Br)C1 ZINC001206556260 1371092651 /nfs/dbraw/zinc/09/26/51/1371092651.db2.gz PULBQZMRPLDUQZ-HNNXBMFYSA-N 2 2 327.266 3.106 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC001206556260 1371092655 /nfs/dbraw/zinc/09/26/55/1371092655.db2.gz PULBQZMRPLDUQZ-HNNXBMFYSA-N 2 2 327.266 3.106 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1O ZINC001206641377 1371116168 /nfs/dbraw/zinc/11/61/68/1371116168.db2.gz WKHPBMCNIXLFCW-LBPRGKRZSA-N 2 2 327.266 3.024 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1O ZINC001206641377 1371116170 /nfs/dbraw/zinc/11/61/70/1371116170.db2.gz WKHPBMCNIXLFCW-LBPRGKRZSA-N 2 2 327.266 3.024 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206641470 1371116393 /nfs/dbraw/zinc/11/63/93/1371116393.db2.gz XWLVIQWMMYBCIK-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1F ZINC001206641470 1371116398 /nfs/dbraw/zinc/11/63/98/1371116398.db2.gz XWLVIQWMMYBCIK-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP COCC[N@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188064 1371323972 /nfs/dbraw/zinc/32/39/72/1371323972.db2.gz SKWBDJBLFNAYDB-APWZRJJASA-N 2 2 336.907 3.486 20 0 EGADLP COCC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188064 1371323974 /nfs/dbraw/zinc/32/39/74/1371323974.db2.gz SKWBDJBLFNAYDB-APWZRJJASA-N 2 2 336.907 3.486 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CCOCc2ccccc2)C3)c1 ZINC001207236092 1371337578 /nfs/dbraw/zinc/33/75/78/1371337578.db2.gz XDFWTEGQVHNMHJ-BGYRXZFFSA-N 2 2 340.467 3.250 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CCOCc2ccccc2)C3)c1 ZINC001207236092 1371337581 /nfs/dbraw/zinc/33/75/81/1371337581.db2.gz XDFWTEGQVHNMHJ-BGYRXZFFSA-N 2 2 340.467 3.250 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CCOCc4ccccc4)C3)C2)c1 ZINC001207236092 1371337584 /nfs/dbraw/zinc/33/75/84/1371337584.db2.gz XDFWTEGQVHNMHJ-BGYRXZFFSA-N 2 2 340.467 3.250 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CCOCc4ccccc4)C3)C2)c1 ZINC001207236092 1371337588 /nfs/dbraw/zinc/33/75/88/1371337588.db2.gz XDFWTEGQVHNMHJ-BGYRXZFFSA-N 2 2 340.467 3.250 20 0 EGADLP FC(F)(F)[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001207292379 1371352841 /nfs/dbraw/zinc/35/28/41/1371352841.db2.gz QKMZKDYBFBVSAA-KRWDZBQOSA-N 2 2 342.405 3.162 20 0 EGADLP FC(F)(F)[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001207292379 1371352845 /nfs/dbraw/zinc/35/28/45/1371352845.db2.gz QKMZKDYBFBVSAA-KRWDZBQOSA-N 2 2 342.405 3.162 20 0 EGADLP Fc1ccccc1CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001207491492 1371412994 /nfs/dbraw/zinc/41/29/94/1371412994.db2.gz ODOOSINHJJZUCT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001207491492 1371412995 /nfs/dbraw/zinc/41/29/95/1371412995.db2.gz ODOOSINHJJZUCT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001207491492 1371412996 /nfs/dbraw/zinc/41/29/96/1371412996.db2.gz ODOOSINHJJZUCT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001207491492 1371412999 /nfs/dbraw/zinc/41/29/99/1371412999.db2.gz ODOOSINHJJZUCT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001207499447 1371415807 /nfs/dbraw/zinc/41/58/07/1371415807.db2.gz ICQKVXGJMLHZKP-CALCHBBNSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1ccccc1CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001207499447 1371415811 /nfs/dbraw/zinc/41/58/11/1371415811.db2.gz ICQKVXGJMLHZKP-CALCHBBNSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1ccccc1CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001207499447 1371415816 /nfs/dbraw/zinc/41/58/16/1371415816.db2.gz ICQKVXGJMLHZKP-CALCHBBNSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1ccccc1CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001207499447 1371415822 /nfs/dbraw/zinc/41/58/22/1371415822.db2.gz ICQKVXGJMLHZKP-CALCHBBNSA-N 2 2 328.431 3.415 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430796 1371574301 /nfs/dbraw/zinc/57/43/01/1371574301.db2.gz NTLNSQNNYJAHDD-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430796 1371574307 /nfs/dbraw/zinc/57/43/07/1371574307.db2.gz NTLNSQNNYJAHDD-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461199 1371583933 /nfs/dbraw/zinc/58/39/33/1371583933.db2.gz RWFSEZRKZSYUFX-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461199 1371583936 /nfs/dbraw/zinc/58/39/36/1371583936.db2.gz RWFSEZRKZSYUFX-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP CC/C=C\CCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001208135132 1371606667 /nfs/dbraw/zinc/60/66/67/1371606667.db2.gz AUZBRUIHKZUTFD-ARJAWSKDSA-N 2 2 329.488 3.499 20 0 EGADLP CCCCCC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421096 1371761948 /nfs/dbraw/zinc/76/19/48/1371761948.db2.gz VTDWWTAZTCBCQH-INIZCTEOSA-N 2 2 328.460 3.337 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001208559061 1371817004 /nfs/dbraw/zinc/81/70/04/1371817004.db2.gz ATXVUGKCIOMRPE-BFYDXBDKSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001208559061 1371817009 /nfs/dbraw/zinc/81/70/09/1371817009.db2.gz ATXVUGKCIOMRPE-BFYDXBDKSA-N 2 2 346.519 3.092 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121029712 1371838045 /nfs/dbraw/zinc/83/80/45/1371838045.db2.gz RVBOBEZKFQIQRF-SNAWJCMRSA-N 2 2 344.503 3.106 20 0 EGADLP COC(=O)[C@H]1CC[C@H](C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208634341 1371848483 /nfs/dbraw/zinc/84/84/83/1371848483.db2.gz NZJITXRGFURGQX-QAQDUYKDSA-N 2 2 336.520 3.305 20 0 EGADLP COC(=O)[C@H]1CC[C@H](C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001208634341 1371848485 /nfs/dbraw/zinc/84/84/85/1371848485.db2.gz NZJITXRGFURGQX-QAQDUYKDSA-N 2 2 336.520 3.305 20 0 EGADLP Fc1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208766258 1371888832 /nfs/dbraw/zinc/88/88/32/1371888832.db2.gz BVVVLLJFQSEYMT-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208766258 1371888836 /nfs/dbraw/zinc/88/88/36/1371888836.db2.gz BVVVLLJFQSEYMT-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208766258 1371888839 /nfs/dbraw/zinc/88/88/39/1371888839.db2.gz BVVVLLJFQSEYMT-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208766258 1371888842 /nfs/dbraw/zinc/88/88/42/1371888842.db2.gz BVVVLLJFQSEYMT-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP CC[C@@H](CCC(=O)OC)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208791050 1371898104 /nfs/dbraw/zinc/89/81/04/1371898104.db2.gz JHBBRAXYCQTHFX-INIZCTEOSA-N 2 2 329.444 3.284 20 0 EGADLP CC[C@@H](CCC(=O)OC)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208791050 1371898106 /nfs/dbraw/zinc/89/81/06/1371898106.db2.gz JHBBRAXYCQTHFX-INIZCTEOSA-N 2 2 329.444 3.284 20 0 EGADLP CC(C)Oc1ncccc1CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001208800966 1371900315 /nfs/dbraw/zinc/90/03/15/1371900315.db2.gz GOVPZNYFGXKYGV-UHFFFAOYSA-N 2 2 331.504 3.362 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)C(F)(F)F)[C@H]2C ZINC001208889572 1371933814 /nfs/dbraw/zinc/93/38/14/1371933814.db2.gz AANDCONLSYAJOK-OLZOCXBDSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)C(F)(F)F)[C@H]2C ZINC001208889572 1371933821 /nfs/dbraw/zinc/93/38/21/1371933821.db2.gz AANDCONLSYAJOK-OLZOCXBDSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H](C)C(F)(F)F)[C@H]2C ZINC001208889572 1371933827 /nfs/dbraw/zinc/93/38/27/1371933827.db2.gz AANDCONLSYAJOK-OLZOCXBDSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H](C)C(F)(F)F)[C@H]2C ZINC001208889572 1371933841 /nfs/dbraw/zinc/93/38/41/1371933841.db2.gz AANDCONLSYAJOK-OLZOCXBDSA-N 2 2 332.414 3.298 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985260 1371968581 /nfs/dbraw/zinc/96/85/81/1371968581.db2.gz OTXQOFDMZWVYFJ-BFQLNGAHSA-N 2 2 332.492 3.017 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985260 1371968582 /nfs/dbraw/zinc/96/85/82/1371968582.db2.gz OTXQOFDMZWVYFJ-BFQLNGAHSA-N 2 2 332.492 3.017 20 0 EGADLP C[NH+]1CCC([N@H+](CCOC(=O)c2ccccc2)C2CCCC2)CC1 ZINC001209047602 1371983401 /nfs/dbraw/zinc/98/34/01/1371983401.db2.gz FODQNOMEWCKRMS-UHFFFAOYSA-N 2 2 330.472 3.182 20 0 EGADLP C[NH+]1CCC([N@@H+](CCOC(=O)c2ccccc2)C2CCCC2)CC1 ZINC001209047602 1371983402 /nfs/dbraw/zinc/98/34/02/1371983402.db2.gz FODQNOMEWCKRMS-UHFFFAOYSA-N 2 2 330.472 3.182 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1cccs1)CC2 ZINC001209223193 1372042696 /nfs/dbraw/zinc/04/26/96/1372042696.db2.gz VHAVURVHVOZBJY-UHFFFAOYSA-N 2 2 332.517 3.188 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1cccs1)CC2 ZINC001209223193 1372042700 /nfs/dbraw/zinc/04/27/00/1372042700.db2.gz VHAVURVHVOZBJY-UHFFFAOYSA-N 2 2 332.517 3.188 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cccs1)[C@H]2C ZINC001209225420 1372043757 /nfs/dbraw/zinc/04/37/57/1372043757.db2.gz QOOWTVYEEQJQMU-HNNXBMFYSA-N 2 2 332.517 3.404 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cccs1)[C@H]2C ZINC001209225420 1372043761 /nfs/dbraw/zinc/04/37/61/1372043761.db2.gz QOOWTVYEEQJQMU-HNNXBMFYSA-N 2 2 332.517 3.404 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cccs1)[C@H]2C ZINC001209225420 1372043764 /nfs/dbraw/zinc/04/37/64/1372043764.db2.gz QOOWTVYEEQJQMU-HNNXBMFYSA-N 2 2 332.517 3.404 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cccs1)[C@H]2C ZINC001209225420 1372043768 /nfs/dbraw/zinc/04/37/68/1372043768.db2.gz QOOWTVYEEQJQMU-HNNXBMFYSA-N 2 2 332.517 3.404 20 0 EGADLP COC1CCC(C[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)CC1 ZINC001209392433 1372088579 /nfs/dbraw/zinc/08/85/79/1372088579.db2.gz IRCPZTPOTSWFKP-UHFFFAOYSA-N 2 2 348.535 3.089 20 0 EGADLP COC1CCC(C[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)CC1 ZINC001209392433 1372088584 /nfs/dbraw/zinc/08/85/84/1372088584.db2.gz IRCPZTPOTSWFKP-UHFFFAOYSA-N 2 2 348.535 3.089 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448146 1372108437 /nfs/dbraw/zinc/10/84/37/1372108437.db2.gz NWXXPFWQWLBTCR-KRWDZBQOSA-N 2 2 339.524 3.051 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448146 1372108442 /nfs/dbraw/zinc/10/84/42/1372108442.db2.gz NWXXPFWQWLBTCR-KRWDZBQOSA-N 2 2 339.524 3.051 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc2[nH]1 ZINC001209511855 1372125216 /nfs/dbraw/zinc/12/52/16/1372125216.db2.gz YXOJRTYLFJSDET-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001209718992 1372177830 /nfs/dbraw/zinc/17/78/30/1372177830.db2.gz RGKGXPBNPWGDRL-INIZCTEOSA-N 2 2 345.491 3.068 20 0 EGADLP CCC1CCC(c2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)CC1 ZINC001211755550 1372612269 /nfs/dbraw/zinc/61/22/69/1372612269.db2.gz SEIQDTHQTDHMSB-GNNGFNCTSA-N 2 2 340.471 3.435 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)n1cc[nH+]c1 ZINC001326563526 1388240586 /nfs/dbraw/zinc/24/05/86/1388240586.db2.gz GJCZSXBMBHWJFO-HNNXBMFYSA-N 2 2 344.484 3.271 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@@H]3CCCc4ccccc43)ccn12 ZINC001127292857 1373113391 /nfs/dbraw/zinc/11/33/91/1373113391.db2.gz NMKDUFXOFRAHAP-LJQANCHMSA-N 2 2 348.450 3.040 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3cc4c(s3)C[NH2+]CC4)n2)c[nH+]1 ZINC001217305443 1373421675 /nfs/dbraw/zinc/42/16/75/1373421675.db2.gz VRGDKYUILXAOCZ-UHFFFAOYSA-N 2 2 349.419 3.297 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC001130006609 1373445444 /nfs/dbraw/zinc/44/54/44/1373445444.db2.gz MQVBQYOSEGIGRA-RTBURBONSA-N 2 2 342.487 3.327 20 0 EGADLP O=C(NCC[NH2+]Cc1cccc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001130266387 1373481044 /nfs/dbraw/zinc/48/10/44/1373481044.db2.gz WRNGTMWKTMGLCD-UHFFFAOYSA-N 2 2 344.418 3.236 20 0 EGADLP CCCOc1ccc(-c2nnc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217703776 1373491034 /nfs/dbraw/zinc/49/10/34/1373491034.db2.gz BDYNLSJHWHOYBZ-INIZCTEOSA-N 2 2 342.443 3.072 20 0 EGADLP C[N@H+](CC(=O)c1cccc(O[C@@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC001217961616 1373521298 /nfs/dbraw/zinc/52/12/98/1373521298.db2.gz GGPHVJWVMFPFEC-HXUWFJFHSA-N 2 2 338.451 3.132 20 0 EGADLP C[N@@H+](CC(=O)c1cccc(O[C@@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC001217961616 1373521301 /nfs/dbraw/zinc/52/13/01/1373521301.db2.gz GGPHVJWVMFPFEC-HXUWFJFHSA-N 2 2 338.451 3.132 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cnc3cc(Cl)ccc3c2)cc1 ZINC001218648649 1373640581 /nfs/dbraw/zinc/64/05/81/1373640581.db2.gz IBIVABKYJLSORF-INIZCTEOSA-N 2 2 340.814 3.099 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090335 1375140456 /nfs/dbraw/zinc/14/04/56/1375140456.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132090335 1375140461 /nfs/dbraw/zinc/14/04/61/1375140461.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090335 1375140463 /nfs/dbraw/zinc/14/04/63/1375140463.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090335 1375140465 /nfs/dbraw/zinc/14/04/65/1375140465.db2.gz GNCVXDJGRAOBCF-RDJZCZTQSA-N 2 2 334.508 3.138 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001225947540 1375178313 /nfs/dbraw/zinc/17/83/13/1375178313.db2.gz YEVAIMFOSMCNGG-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195639 1375201191 /nfs/dbraw/zinc/20/11/91/1375201191.db2.gz RVKJDGOIKYAFFJ-IKSUFZCESA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195639 1375201193 /nfs/dbraw/zinc/20/11/93/1375201193.db2.gz RVKJDGOIKYAFFJ-IKSUFZCESA-N 2 2 346.519 3.068 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1=CCCCC1 ZINC001132221463 1375218961 /nfs/dbraw/zinc/21/89/61/1375218961.db2.gz IMXHCLBYSNNGKJ-MJGOQNOKSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1=CCCCC1 ZINC001132221463 1375218967 /nfs/dbraw/zinc/21/89/67/1375218967.db2.gz IMXHCLBYSNNGKJ-MJGOQNOKSA-N 2 2 344.503 3.133 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226885922 1375351627 /nfs/dbraw/zinc/35/16/27/1375351627.db2.gz QVAUOSNMCKXLQT-QBPKDAKJSA-N 2 2 332.492 3.111 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885922 1375351637 /nfs/dbraw/zinc/35/16/37/1375351637.db2.gz QVAUOSNMCKXLQT-QBPKDAKJSA-N 2 2 332.492 3.111 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546033 1375452434 /nfs/dbraw/zinc/45/24/34/1375452434.db2.gz HXDGCMNNHIJUSZ-CQQBRXBZSA-N 2 2 346.519 3.379 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546033 1375452436 /nfs/dbraw/zinc/45/24/36/1375452436.db2.gz HXDGCMNNHIJUSZ-CQQBRXBZSA-N 2 2 346.519 3.379 20 0 EGADLP C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132919545 1375643071 /nfs/dbraw/zinc/64/30/71/1375643071.db2.gz LKLNYHOHLAYVEC-WMLDXEAASA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919320 1375643864 /nfs/dbraw/zinc/64/38/64/1375643864.db2.gz IIZWKZWTAQAFPU-NVXWUHKLSA-N 2 2 340.471 3.217 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001132923201 1375645969 /nfs/dbraw/zinc/64/59/69/1375645969.db2.gz DRLFXDOVWQDHTQ-WMZOPIPTSA-N 2 2 348.535 3.047 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001228852055 1375693411 /nfs/dbraw/zinc/69/34/11/1375693411.db2.gz GKROHORJJYYPMI-KBAYOESNSA-N 2 2 346.519 3.287 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001133002366 1375704749 /nfs/dbraw/zinc/70/47/49/1375704749.db2.gz PIJPASMNWWEBJR-YTRPVJOVSA-N 2 2 349.906 3.447 20 0 EGADLP CC(C)[NH+]1CC(Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001229057682 1375754096 /nfs/dbraw/zinc/75/40/96/1375754096.db2.gz MPCTYMKVESAHPO-UHFFFAOYSA-N 2 2 337.467 3.111 20 0 EGADLP CC(C)[NH+]1CC(Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)C1 ZINC001229057682 1375754102 /nfs/dbraw/zinc/75/41/02/1375754102.db2.gz MPCTYMKVESAHPO-UHFFFAOYSA-N 2 2 337.467 3.111 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC001327141160 1388398911 /nfs/dbraw/zinc/39/89/11/1388398911.db2.gz CLKLDYJBFMFVTG-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001327141160 1388398914 /nfs/dbraw/zinc/39/89/14/1388398914.db2.gz CLKLDYJBFMFVTG-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)nc1 ZINC001231638917 1376287921 /nfs/dbraw/zinc/28/79/21/1376287921.db2.gz WLDHCQGXFLVZQC-IAGOWNOFSA-N 2 2 327.497 3.269 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227310 1376424040 /nfs/dbraw/zinc/42/40/40/1376424040.db2.gz FBWOEUQVQFBRET-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cc(F)ccn3)CC2)c2ccccc2[nH+]1 ZINC001232491372 1376467183 /nfs/dbraw/zinc/46/71/83/1376467183.db2.gz YNTNSXNOHSTIIO-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@@H]2C1 ZINC001232888047 1376532903 /nfs/dbraw/zinc/53/29/03/1376532903.db2.gz XAGCIIFYLGESBO-HDICACEKSA-N 2 2 325.431 3.271 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@@H]2C1 ZINC001232888047 1376532908 /nfs/dbraw/zinc/53/29/08/1376532908.db2.gz XAGCIIFYLGESBO-HDICACEKSA-N 2 2 325.431 3.271 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@@H]2C1 ZINC001232888047 1376532911 /nfs/dbraw/zinc/53/29/11/1376532911.db2.gz XAGCIIFYLGESBO-HDICACEKSA-N 2 2 325.431 3.271 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@@H]2C1 ZINC001232888047 1376532915 /nfs/dbraw/zinc/53/29/15/1376532915.db2.gz XAGCIIFYLGESBO-HDICACEKSA-N 2 2 325.431 3.271 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1Cl ZINC001134544307 1376584667 /nfs/dbraw/zinc/58/46/67/1376584667.db2.gz FNWFHJGAKPRFOJ-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccccc1Cl ZINC001134544307 1376584672 /nfs/dbraw/zinc/58/46/72/1376584672.db2.gz FNWFHJGAKPRFOJ-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1O ZINC001233228632 1376592230 /nfs/dbraw/zinc/59/22/30/1376592230.db2.gz FIGJNBBXCYCSFU-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1O ZINC001233228632 1376592231 /nfs/dbraw/zinc/59/22/31/1376592231.db2.gz FIGJNBBXCYCSFU-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1O ZINC001233228632 1376592239 /nfs/dbraw/zinc/59/22/39/1376592239.db2.gz FIGJNBBXCYCSFU-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1O ZINC001233228632 1376592241 /nfs/dbraw/zinc/59/22/41/1376592241.db2.gz FIGJNBBXCYCSFU-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741270 1376691639 /nfs/dbraw/zinc/69/16/39/1376691639.db2.gz WHMLDNNLVVGGGA-LSDHHAIUSA-N 2 2 330.476 3.486 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011188 1376753695 /nfs/dbraw/zinc/75/36/95/1376753695.db2.gz JAUJDTSYLLGQGU-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011188 1376753698 /nfs/dbraw/zinc/75/36/98/1376753698.db2.gz JAUJDTSYLLGQGU-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)ccc1-2 ZINC001235120497 1376851040 /nfs/dbraw/zinc/85/10/40/1376851040.db2.gz SIWIXDZBMUYYAK-JOCHJYFZSA-N 2 2 334.463 3.212 20 0 EGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)ccc1-2 ZINC001235120497 1376851046 /nfs/dbraw/zinc/85/10/46/1376851046.db2.gz SIWIXDZBMUYYAK-JOCHJYFZSA-N 2 2 334.463 3.212 20 0 EGADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190755 1376857691 /nfs/dbraw/zinc/85/76/91/1376857691.db2.gz KGBQVEVLDLSQQB-UHFFFAOYSA-N 2 2 336.863 3.235 20 0 EGADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1 ZINC001235190755 1376857698 /nfs/dbraw/zinc/85/76/98/1376857698.db2.gz KGBQVEVLDLSQQB-UHFFFAOYSA-N 2 2 336.863 3.235 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001135055739 1376870227 /nfs/dbraw/zinc/87/02/27/1376870227.db2.gz HLZYIAUYJOZOLN-HOTGVXAUSA-N 2 2 336.524 3.052 20 0 EGADLP COc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1OCc1ccccc1 ZINC001235946936 1376922270 /nfs/dbraw/zinc/92/22/70/1376922270.db2.gz DRTDXAVULKLGED-UHFFFAOYSA-N 2 2 328.456 3.443 20 0 EGADLP COc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1OCc1ccccc1 ZINC001235946936 1376922276 /nfs/dbraw/zinc/92/22/76/1376922276.db2.gz DRTDXAVULKLGED-UHFFFAOYSA-N 2 2 328.456 3.443 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001135148469 1376935351 /nfs/dbraw/zinc/93/53/51/1376935351.db2.gz NQTSVDZIBYHCJJ-UONOGXRCSA-N 2 2 348.516 3.025 20 0 EGADLP Fc1cccc(C[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001236389691 1376952130 /nfs/dbraw/zinc/95/21/30/1376952130.db2.gz CDYIMCQPRJVQER-FQEVSTJZSA-N 3 2 345.506 3.160 20 0 EGADLP Fc1cccc(C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)c1 ZINC001236389691 1376952133 /nfs/dbraw/zinc/95/21/33/1376952133.db2.gz CDYIMCQPRJVQER-FQEVSTJZSA-N 3 2 345.506 3.160 20 0 EGADLP Fc1ccc(CN(Cc2ccn3cc[nH+]c3c2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388100 1376952261 /nfs/dbraw/zinc/95/22/61/1376952261.db2.gz COUGWJBVUJNKDN-LJQANCHMSA-N 2 2 338.430 3.228 20 0 EGADLP COCOc1ccc(C)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244458234 1377037784 /nfs/dbraw/zinc/03/77/84/1377037784.db2.gz ZCAYRLWVVIXMLJ-SFHVURJKSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1ccc(C)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001244458234 1377037787 /nfs/dbraw/zinc/03/77/87/1377037787.db2.gz ZCAYRLWVVIXMLJ-SFHVURJKSA-N 2 2 326.440 3.178 20 0 EGADLP [NH3+][C@H](C[NH2+][C@H]1Cc2ccc(Br)cc2C1)c1ccccc1 ZINC001246292760 1377051074 /nfs/dbraw/zinc/05/10/74/1377051074.db2.gz QHHYHECFCWPPJG-DLBZAZTESA-N 2 2 331.257 3.206 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+]C3CCC4(COC4)CC3)CC2)c1 ZINC001257901202 1377115290 /nfs/dbraw/zinc/11/52/90/1377115290.db2.gz AFBOPBGASYRAJO-UHFFFAOYSA-N 2 2 344.499 3.208 20 0 EGADLP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135678775 1377181282 /nfs/dbraw/zinc/18/12/82/1377181282.db2.gz IIDOHVPZBBKHTG-SJORKVTESA-N 2 2 344.503 3.248 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840277 1377228462 /nfs/dbraw/zinc/22/84/62/1377228462.db2.gz GHIBOESBDAZGNV-HOTGVXAUSA-N 2 2 340.471 3.159 20 0 EGADLP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840510 1377228836 /nfs/dbraw/zinc/22/88/36/1377228836.db2.gz KBANMKRRXVFLQP-IRXDYDNUSA-N 2 2 342.487 3.405 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001136031288 1377306025 /nfs/dbraw/zinc/30/60/25/1377306025.db2.gz IJEZZJASWPJVOM-HUUCEWRRSA-N 2 2 334.508 3.104 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001136031652 1377306051 /nfs/dbraw/zinc/30/60/51/1377306051.db2.gz OCWURKABQXECMX-HUUCEWRRSA-N 2 2 334.508 3.104 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c(C)s1 ZINC001136035461 1377306724 /nfs/dbraw/zinc/30/67/24/1377306724.db2.gz OWGLBDDAXUDAPX-NWDGAFQWSA-N 2 2 348.516 3.012 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001136057491 1377317302 /nfs/dbraw/zinc/31/73/02/1377317302.db2.gz YPXWKDVXCMPMRB-HOTGVXAUSA-N 2 2 336.524 3.052 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncnc3)C[C@@H]21 ZINC001137666212 1377585611 /nfs/dbraw/zinc/58/56/11/1377585611.db2.gz RZICFXTXVVUZKB-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncnc3)C[C@@H]21 ZINC001137666212 1377585613 /nfs/dbraw/zinc/58/56/13/1377585613.db2.gz RZICFXTXVVUZKB-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncnc3)C[C@@H]21 ZINC001137666212 1377585615 /nfs/dbraw/zinc/58/56/15/1377585615.db2.gz RZICFXTXVVUZKB-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncnc3)C[C@@H]21 ZINC001137666212 1377585617 /nfs/dbraw/zinc/58/56/17/1377585617.db2.gz RZICFXTXVVUZKB-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001138097434 1377676496 /nfs/dbraw/zinc/67/64/96/1377676496.db2.gz UMZZWQDQSKXNJV-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC001138377732 1377712253 /nfs/dbraw/zinc/71/22/53/1377712253.db2.gz POEOCDUYVGPWLD-UHFFFAOYSA-N 2 2 335.455 3.016 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001138398694 1377717189 /nfs/dbraw/zinc/71/71/89/1377717189.db2.gz JAKZKVUCYXRVEQ-ROUUACIJSA-N 2 2 346.478 3.435 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC(C)C)c(OC)c3)C[C@@H]2C1 ZINC001138576167 1377746073 /nfs/dbraw/zinc/74/60/73/1377746073.db2.gz JMLNKVYQSARJNA-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(Cl)[nH]c3ccccc31)CC2 ZINC001138687706 1377767577 /nfs/dbraw/zinc/76/75/77/1377767577.db2.gz WPAAHOHXDOQPDQ-UHFFFAOYSA-N 2 2 346.862 3.451 20 0 EGADLP CSc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001138706645 1377771134 /nfs/dbraw/zinc/77/11/34/1377771134.db2.gz DJAVAPJZAUWJRL-QGZVFWFLSA-N 2 2 342.512 3.152 20 0 EGADLP CSc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001138706645 1377771135 /nfs/dbraw/zinc/77/11/35/1377771135.db2.gz DJAVAPJZAUWJRL-QGZVFWFLSA-N 2 2 342.512 3.152 20 0 EGADLP CSc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001138706645 1377771136 /nfs/dbraw/zinc/77/11/36/1377771136.db2.gz DJAVAPJZAUWJRL-QGZVFWFLSA-N 2 2 342.512 3.152 20 0 EGADLP CSc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001138706645 1377771137 /nfs/dbraw/zinc/77/11/37/1377771137.db2.gz DJAVAPJZAUWJRL-QGZVFWFLSA-N 2 2 342.512 3.152 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH+]2CC(Oc3ccc(F)cc3)C2)cc1 ZINC001138772782 1377782395 /nfs/dbraw/zinc/78/23/95/1377782395.db2.gz BROLNDZDXYDXOB-UHFFFAOYSA-N 2 2 344.430 3.029 20 0 EGADLP C[N@H+](Cc1cccc2ccnn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138809135 1377789472 /nfs/dbraw/zinc/78/94/72/1377789472.db2.gz HSJNLPSANKLSRA-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP C[N@@H+](Cc1cccc2ccnn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138809135 1377789476 /nfs/dbraw/zinc/78/94/76/1377789476.db2.gz HSJNLPSANKLSRA-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP CCCCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c1 ZINC001138954030 1377808895 /nfs/dbraw/zinc/80/88/95/1377808895.db2.gz PIFZOXVGGHTITF-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP CCCCOc1cccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c1 ZINC001138954030 1377808899 /nfs/dbraw/zinc/80/88/99/1377808899.db2.gz PIFZOXVGGHTITF-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP CCCCOc1cccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)c1 ZINC001138954030 1377808904 /nfs/dbraw/zinc/80/89/04/1377808904.db2.gz PIFZOXVGGHTITF-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP CCCCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)c1 ZINC001138954030 1377808908 /nfs/dbraw/zinc/80/89/08/1377808908.db2.gz PIFZOXVGGHTITF-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP Cn1ccc2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001139205240 1377850535 /nfs/dbraw/zinc/85/05/35/1377850535.db2.gz TWYXJCXQTVADPH-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001139205240 1377850541 /nfs/dbraw/zinc/85/05/41/1377850541.db2.gz TWYXJCXQTVADPH-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001139205240 1377850546 /nfs/dbraw/zinc/85/05/46/1377850546.db2.gz TWYXJCXQTVADPH-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001139205240 1377850553 /nfs/dbraw/zinc/85/05/53/1377850553.db2.gz TWYXJCXQTVADPH-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)C3CC3)s2)CC1 ZINC001139323770 1377867607 /nfs/dbraw/zinc/86/76/07/1377867607.db2.gz RKVGTCPHIAOHNI-UHFFFAOYSA-N 2 2 342.512 3.060 20 0 EGADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)C3CC3)s2)CC1 ZINC001139323770 1377867609 /nfs/dbraw/zinc/86/76/09/1377867609.db2.gz RKVGTCPHIAOHNI-UHFFFAOYSA-N 2 2 342.512 3.060 20 0 EGADLP C[N@H+](CCCC(=O)c1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361972 1377874212 /nfs/dbraw/zinc/87/42/12/1377874212.db2.gz FIZNBSANBBVHOY-UHFFFAOYSA-N 2 2 334.423 3.362 20 0 EGADLP C[N@@H+](CCCC(=O)c1cccnc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361972 1377874213 /nfs/dbraw/zinc/87/42/13/1377874213.db2.gz FIZNBSANBBVHOY-UHFFFAOYSA-N 2 2 334.423 3.362 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1cccc(Br)c1F)CC2 ZINC001139534637 1377900020 /nfs/dbraw/zinc/90/00/20/1377900020.db2.gz VQNFRGATWPADIF-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP COc1ccc(-c2ncc(C[N@H+](C)C3CC[NH+](C)CC3)s2)cc1 ZINC001139789356 1377950707 /nfs/dbraw/zinc/95/07/07/1377950707.db2.gz GFCBAXJPDKPZNN-UHFFFAOYSA-N 2 2 331.485 3.345 20 0 EGADLP COc1ccc(-c2ncc(C[N@@H+](C)C3CC[NH+](C)CC3)s2)cc1 ZINC001139789356 1377950709 /nfs/dbraw/zinc/95/07/09/1377950709.db2.gz GFCBAXJPDKPZNN-UHFFFAOYSA-N 2 2 331.485 3.345 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC001140028585 1377992600 /nfs/dbraw/zinc/99/26/00/1377992600.db2.gz XWURFDKSYNPCDT-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001140027457 1377992759 /nfs/dbraw/zinc/99/27/59/1377992759.db2.gz AKFWUEPYVBCTIN-QGZVFWFLSA-N 2 2 341.455 3.344 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001140027457 1377992766 /nfs/dbraw/zinc/99/27/66/1377992766.db2.gz AKFWUEPYVBCTIN-QGZVFWFLSA-N 2 2 341.455 3.344 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)cc2C)CC1 ZINC001140201757 1378030942 /nfs/dbraw/zinc/03/09/42/1378030942.db2.gz YTMWJKQYOVJUAJ-IBGZPJMESA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)cc2C)CC1 ZINC001140201757 1378030943 /nfs/dbraw/zinc/03/09/43/1378030943.db2.gz YTMWJKQYOVJUAJ-IBGZPJMESA-N 2 2 332.488 3.084 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)ccc1O ZINC001140575041 1378087116 /nfs/dbraw/zinc/08/71/16/1378087116.db2.gz ANEPAHAPEDXYBL-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)ccc1O ZINC001140575041 1378087118 /nfs/dbraw/zinc/08/71/18/1378087118.db2.gz ANEPAHAPEDXYBL-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)ccc1O ZINC001140575041 1378087119 /nfs/dbraw/zinc/08/71/19/1378087119.db2.gz ANEPAHAPEDXYBL-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)ccc1O ZINC001140575041 1378087121 /nfs/dbraw/zinc/08/71/21/1378087121.db2.gz ANEPAHAPEDXYBL-HDICACEKSA-N 2 2 326.440 3.248 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140801007 1378139583 /nfs/dbraw/zinc/13/95/83/1378139583.db2.gz DXVVGBJKQUSKRE-CXAGYDPISA-N 2 2 342.443 3.004 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)[C@@H]2C1 ZINC001140801007 1378139585 /nfs/dbraw/zinc/13/95/85/1378139585.db2.gz DXVVGBJKQUSKRE-CXAGYDPISA-N 2 2 342.443 3.004 20 0 EGADLP CC(C)(C)OC(=O)NC[C@]1(F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806032 1378144913 /nfs/dbraw/zinc/14/49/13/1378144913.db2.gz UUBNHJIIOLQIPA-GOSISDBHSA-N 2 2 348.422 3.002 20 0 EGADLP CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806032 1378144914 /nfs/dbraw/zinc/14/49/14/1378144914.db2.gz UUBNHJIIOLQIPA-GOSISDBHSA-N 2 2 348.422 3.002 20 0 EGADLP O=c1oc2ccccc2n1C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807398 1378147264 /nfs/dbraw/zinc/14/72/64/1378147264.db2.gz YBHQWKPICFDMQB-UHFFFAOYSA-N 2 2 348.406 3.308 20 0 EGADLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(O)c1OC ZINC001141174924 1378260761 /nfs/dbraw/zinc/26/07/61/1378260761.db2.gz ILZUGQJBZRHKKI-UHFFFAOYSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(O)c1OC ZINC001141174924 1378260762 /nfs/dbraw/zinc/26/07/62/1378260762.db2.gz ILZUGQJBZRHKKI-UHFFFAOYSA-N 2 2 348.487 3.248 20 0 EGADLP COC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141241901 1378282058 /nfs/dbraw/zinc/28/20/58/1378282058.db2.gz OAESBZDZENFDRF-UHFFFAOYSA-N 2 2 349.434 3.438 20 0 EGADLP COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141241901 1378282061 /nfs/dbraw/zinc/28/20/61/1378282061.db2.gz OAESBZDZENFDRF-UHFFFAOYSA-N 2 2 349.434 3.438 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405092 1378439997 /nfs/dbraw/zinc/43/99/97/1378439997.db2.gz LZJZRXZKLOTXJJ-SJKOYZFVSA-N 2 2 348.288 3.456 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405092 1378439998 /nfs/dbraw/zinc/43/99/98/1378439998.db2.gz LZJZRXZKLOTXJJ-SJKOYZFVSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405092 1378440000 /nfs/dbraw/zinc/44/00/00/1378440000.db2.gz LZJZRXZKLOTXJJ-SJKOYZFVSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405092 1378440002 /nfs/dbraw/zinc/44/00/02/1378440002.db2.gz LZJZRXZKLOTXJJ-SJKOYZFVSA-N 2 2 348.288 3.456 20 0 EGADLP COC(=O)Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001142910974 1378507818 /nfs/dbraw/zinc/50/78/18/1378507818.db2.gz VYZAKJJCUOMBCM-UHFFFAOYSA-N 2 2 349.434 3.220 20 0 EGADLP COC(=O)Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001142910974 1378507826 /nfs/dbraw/zinc/50/78/26/1378507826.db2.gz VYZAKJJCUOMBCM-UHFFFAOYSA-N 2 2 349.434 3.220 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC001143033870 1378529817 /nfs/dbraw/zinc/52/98/17/1378529817.db2.gz LOFNSRYGVSLIPS-SFTDATJTSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC001143033870 1378529825 /nfs/dbraw/zinc/52/98/25/1378529825.db2.gz LOFNSRYGVSLIPS-SFTDATJTSA-N 2 2 346.478 3.288 20 0 EGADLP CC(C)[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC001144356634 1378720257 /nfs/dbraw/zinc/72/02/57/1378720257.db2.gz GKYFSRQONWRYTQ-UHFFFAOYSA-N 2 2 345.409 3.327 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](C)CC1 ZINC001144356634 1378720259 /nfs/dbraw/zinc/72/02/59/1378720259.db2.gz GKYFSRQONWRYTQ-UHFFFAOYSA-N 2 2 345.409 3.327 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433715 1378731798 /nfs/dbraw/zinc/73/17/98/1378731798.db2.gz PCKRUVWAQLLTEG-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433715 1378731803 /nfs/dbraw/zinc/73/18/03/1378731803.db2.gz PCKRUVWAQLLTEG-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433715 1378731806 /nfs/dbraw/zinc/73/18/06/1378731806.db2.gz PCKRUVWAQLLTEG-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433715 1378731812 /nfs/dbraw/zinc/73/18/12/1378731812.db2.gz PCKRUVWAQLLTEG-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP O=C(NCC[NH2+]CCC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458441 1378843338 /nfs/dbraw/zinc/84/33/38/1378843338.db2.gz GQJQNJFMHKUSQC-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706434 1378902808 /nfs/dbraw/zinc/90/28/08/1378902808.db2.gz FABPCXXCGFUECT-ROUUACIJSA-N 2 2 342.487 3.045 20 0 EGADLP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767052 1379075811 /nfs/dbraw/zinc/07/58/11/1379075811.db2.gz IBYQWNUUXRSVJV-SFHVURJKSA-N 2 2 346.519 3.195 20 0 EGADLP CCCCC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767052 1379075813 /nfs/dbraw/zinc/07/58/13/1379075813.db2.gz IBYQWNUUXRSVJV-SFHVURJKSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315563 1380254692 /nfs/dbraw/zinc/25/46/92/1380254692.db2.gz WVAKVVUCKKLUOZ-IAGOWNOFSA-N 2 2 344.503 3.457 20 0 EGADLP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315563 1380254695 /nfs/dbraw/zinc/25/46/95/1380254695.db2.gz WVAKVVUCKKLUOZ-IAGOWNOFSA-N 2 2 344.503 3.457 20 0 EGADLP Cc1cccc2c1nc(Cl)nc2-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057278 1380399770 /nfs/dbraw/zinc/39/97/70/1380399770.db2.gz BXFPJWXWMQEXBL-UHFFFAOYSA-N 2 2 327.819 3.244 20 0 EGADLP Fc1cnc(Cl)cc1C(F)(F)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057450 1380400030 /nfs/dbraw/zinc/40/00/30/1380400030.db2.gz JAMXDLCKAKSFDJ-UHFFFAOYSA-N 2 2 330.741 3.135 20 0 EGADLP c1ccc(CSc2cc[nH+]c(N[C@@H]3COCCC34C[NH2+]C4)c2)cc1 ZINC001155470896 1380457161 /nfs/dbraw/zinc/45/71/61/1380457161.db2.gz DMZMBYMBBKBLEZ-QGZVFWFLSA-N 2 2 341.480 3.164 20 0 EGADLP CC[N@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522321 1380464352 /nfs/dbraw/zinc/46/43/52/1380464352.db2.gz UVPOZJMJSBNNKX-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP CC[N@@H+](Cc1cccc(C)c1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522321 1380464353 /nfs/dbraw/zinc/46/43/53/1380464353.db2.gz UVPOZJMJSBNNKX-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155752137 1380489045 /nfs/dbraw/zinc/48/90/45/1380489045.db2.gz YYBWIDDMWWTEKV-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155752137 1380489046 /nfs/dbraw/zinc/48/90/46/1380489046.db2.gz YYBWIDDMWWTEKV-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155752137 1380489047 /nfs/dbraw/zinc/48/90/47/1380489047.db2.gz YYBWIDDMWWTEKV-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155752137 1380489048 /nfs/dbraw/zinc/48/90/48/1380489048.db2.gz YYBWIDDMWWTEKV-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149486 1380531223 /nfs/dbraw/zinc/53/12/23/1380531223.db2.gz MEQOIPGHFQCOHZ-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149486 1380531224 /nfs/dbraw/zinc/53/12/24/1380531224.db2.gz MEQOIPGHFQCOHZ-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CN(c1cccc(N2CC[NH+](C)CC2)[nH+]1)C(C)(C)Cc1ccccc1 ZINC001156515403 1380587285 /nfs/dbraw/zinc/58/72/85/1380587285.db2.gz GOVKFBVGCRIIRN-UHFFFAOYSA-N 2 2 338.499 3.291 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(NCCC[N@@H+]3CCCC[C@H]3C)c2[nH]1 ZINC001156928375 1380731605 /nfs/dbraw/zinc/73/16/05/1380731605.db2.gz JMMSKZVZBPKOOZ-CQSZACIVSA-N 2 2 344.459 3.416 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(NCCC[N@H+]3CCCC[C@H]3C)c2[nH]1 ZINC001156928375 1380731617 /nfs/dbraw/zinc/73/16/17/1380731617.db2.gz JMMSKZVZBPKOOZ-CQSZACIVSA-N 2 2 344.459 3.416 20 0 EGADLP C[NH+]1CCC(c2ccc(NC(=O)c3ccc4[nH+]c(N)[nH]c4c3)cc2)CC1 ZINC001156970260 1380740057 /nfs/dbraw/zinc/74/00/57/1380740057.db2.gz AVXQFEUPLZSMQZ-UHFFFAOYSA-N 2 2 349.438 3.207 20 0 EGADLP C[C@@H](c1ccccc1Cl)N(C)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157367516 1380855060 /nfs/dbraw/zinc/85/50/60/1380855060.db2.gz HACIEMRQUFUHLT-AWEZNQCLSA-N 2 2 330.863 3.342 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CC3CCC(C)CC3)ccn12 ZINC001158062312 1381118123 /nfs/dbraw/zinc/11/81/23/1381118123.db2.gz VRCONBUDUXVZTO-UHFFFAOYSA-N 2 2 342.487 3.179 20 0 EGADLP CC[C@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128925 1381136790 /nfs/dbraw/zinc/13/67/90/1381136790.db2.gz SXFWQVMYJFHJRC-JKSUJKDBSA-N 2 2 346.450 3.238 20 0 EGADLP CC[C@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128925 1381136796 /nfs/dbraw/zinc/13/67/96/1381136796.db2.gz SXFWQVMYJFHJRC-JKSUJKDBSA-N 2 2 346.450 3.238 20 0 EGADLP Cc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc2c(Cl)cccc12 ZINC001158260409 1381176905 /nfs/dbraw/zinc/17/69/05/1381176905.db2.gz DMAUVDNGMQJDOR-AWEZNQCLSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc2c(Cl)cccc12 ZINC001158260409 1381176910 /nfs/dbraw/zinc/17/69/10/1381176910.db2.gz DMAUVDNGMQJDOR-AWEZNQCLSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1ccc2cc[nH+]c(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)c2c1 ZINC001158580989 1381309651 /nfs/dbraw/zinc/30/96/51/1381309651.db2.gz LXCUHINQZKQSIA-UHFFFAOYSA-N 3 2 338.499 3.196 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806368 1381408324 /nfs/dbraw/zinc/40/83/24/1381408324.db2.gz HYDHOZYHOJBVEC-ZMBJWTFHSA-N 2 2 346.519 3.022 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806368 1381408327 /nfs/dbraw/zinc/40/83/27/1381408327.db2.gz HYDHOZYHOJBVEC-ZMBJWTFHSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1CN(c2ccc(Nc3cccc4c3CC[NH2+]C4)c[nH+]2)C[C@H](C)O1 ZINC001159167823 1381697379 /nfs/dbraw/zinc/69/73/79/1381697379.db2.gz UTCWRCPMIODPHZ-GASCZTMLSA-N 2 2 338.455 3.085 20 0 EGADLP CCOc1cc[nH+]cc1Nc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001159203667 1381729965 /nfs/dbraw/zinc/72/99/65/1381729965.db2.gz IYZHTLPJQNDJGP-UHFFFAOYSA-N 2 2 327.428 3.493 20 0 EGADLP Nc1ccc[nH+]c1N(CC1CC[NH2+]CC1)c1ccc2c(c1)CCCN2 ZINC001159334092 1381767189 /nfs/dbraw/zinc/76/71/89/1381767189.db2.gz PTBUALYGRLMGOO-UHFFFAOYSA-N 2 2 337.471 3.160 20 0 EGADLP CN(C)c1ccc(Nc2ccccc2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001160187189 1382028511 /nfs/dbraw/zinc/02/85/11/1382028511.db2.gz ANBJZQKIWHVZTM-UHFFFAOYSA-N 2 2 326.444 3.270 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160430683 1382101833 /nfs/dbraw/zinc/10/18/33/1382101833.db2.gz FNVOXXSVTJLPLE-QZTJIDSGSA-N 2 2 344.503 3.232 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160430683 1382101839 /nfs/dbraw/zinc/10/18/39/1382101839.db2.gz FNVOXXSVTJLPLE-QZTJIDSGSA-N 2 2 344.503 3.232 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160430683 1382101841 /nfs/dbraw/zinc/10/18/41/1382101841.db2.gz FNVOXXSVTJLPLE-QZTJIDSGSA-N 2 2 344.503 3.232 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160430683 1382101847 /nfs/dbraw/zinc/10/18/47/1382101847.db2.gz FNVOXXSVTJLPLE-QZTJIDSGSA-N 2 2 344.503 3.232 20 0 EGADLP Cc1c[nH+]c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])nc1NCC1CC1 ZINC001160659867 1382162831 /nfs/dbraw/zinc/16/28/31/1382162831.db2.gz BPVBRRZJTHZYTL-HNNXBMFYSA-N 2 2 339.487 3.208 20 0 EGADLP O=C(NCCC[NH2+]Cc1ccc(Cl)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001160990272 1382263716 /nfs/dbraw/zinc/26/37/16/1382263716.db2.gz HBAYNVGJQYXJIX-UHFFFAOYSA-N 2 2 342.830 3.126 20 0 EGADLP Nc1[nH+]c(NCC2CC[NH+](Cc3ccccn3)CC2)ccc1Cl ZINC001161244650 1382353515 /nfs/dbraw/zinc/35/35/15/1382353515.db2.gz SOVRIBLPOKBGLW-UHFFFAOYSA-N 2 2 331.851 3.036 20 0 EGADLP CCCCC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356239 1382381039 /nfs/dbraw/zinc/38/10/39/1382381039.db2.gz HFAQFCZNQKGZCJ-KRWDZBQOSA-N 2 2 332.492 3.163 20 0 EGADLP CCCCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356239 1382381044 /nfs/dbraw/zinc/38/10/44/1382381044.db2.gz HFAQFCZNQKGZCJ-KRWDZBQOSA-N 2 2 332.492 3.163 20 0 EGADLP O=C(NCCC[NH2+]Cc1ccccc1C1CC1)c1cccc2[nH+]ccn21 ZINC001162432915 1382757178 /nfs/dbraw/zinc/75/71/78/1382757178.db2.gz NESCGSCBUSQHCV-UHFFFAOYSA-N 2 2 348.450 3.121 20 0 EGADLP NC1=CC=C(C2CCN(c3[nH+]ccc4cc(Cl)ccc43)CC2)[NH2+]C1 ZINC001163131621 1382973330 /nfs/dbraw/zinc/97/33/30/1382973330.db2.gz XPMMQJWORJNMDW-UHFFFAOYSA-N 2 2 340.858 3.434 20 0 EGADLP Cc1ccccc1C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163472860 1383059169 /nfs/dbraw/zinc/05/91/69/1383059169.db2.gz KJZWNLGOKCEQNY-UHFFFAOYSA-N 2 2 348.450 3.090 20 0 EGADLP C[NH+](C)C1(CNc2ncc(Cl)c3ccccc32)CC[NH+](C)CC1 ZINC001164207197 1383165896 /nfs/dbraw/zinc/16/58/96/1383165896.db2.gz UWTGEOUUEINLHM-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP C[NH+](C)C1(CNc2cc3c(Cl)cccc3cn2)CC[NH+](C)CC1 ZINC001164213094 1383166610 /nfs/dbraw/zinc/16/66/10/1383166610.db2.gz NYKOFOBWPYFSSI-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CCc1nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc(C)[nH+]1 ZINC001165307023 1383270552 /nfs/dbraw/zinc/27/05/52/1383270552.db2.gz LOHZUQADENPKBP-GFCCVEGCSA-N 2 2 328.382 3.001 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C3CC[NH2+]CC3)nc[nH+]2)C1 ZINC001165323008 1383272712 /nfs/dbraw/zinc/27/27/12/1383272712.db2.gz MZYRGAMZCGOJLS-FUHWJXTLSA-N 2 2 343.519 3.071 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C3CC[NH2+]CC3)[nH+]cn2)C1 ZINC001165323008 1383272715 /nfs/dbraw/zinc/27/27/15/1383272715.db2.gz MZYRGAMZCGOJLS-FUHWJXTLSA-N 2 2 343.519 3.071 20 0 EGADLP COc1cccc2c(-n3c(C)[nH+]c4c3CC[NH2+]CC4)cc(Cl)nc12 ZINC001165351431 1383279720 /nfs/dbraw/zinc/27/97/20/1383279720.db2.gz DIDIEIIHXSNIBJ-UHFFFAOYSA-N 2 2 342.830 3.079 20 0 EGADLP Cc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001165433589 1383295442 /nfs/dbraw/zinc/29/54/42/1383295442.db2.gz OMZHFIKIZDJJSD-HOTGVXAUSA-N 2 2 332.467 3.346 20 0 EGADLP Brc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2ccccc12 ZINC001167100904 1383539229 /nfs/dbraw/zinc/53/92/29/1383539229.db2.gz QSDYBDLTRRLNKT-GASCZTMLSA-N 2 2 331.257 3.254 20 0 EGADLP Brc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2ccccc12 ZINC001167100904 1383539233 /nfs/dbraw/zinc/53/92/33/1383539233.db2.gz QSDYBDLTRRLNKT-GASCZTMLSA-N 2 2 331.257 3.254 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1)n1cc[nH+]c1 ZINC001167429007 1383631649 /nfs/dbraw/zinc/63/16/49/1383631649.db2.gz ORNKSKBZHHCAKL-PRCIHIDRSA-N 2 2 340.471 3.034 20 0 EGADLP C[NH+](C)Cc1nc(CSCCNc2cccn3c[nH+]cc23)cs1 ZINC001168108899 1383818277 /nfs/dbraw/zinc/81/82/77/1383818277.db2.gz RKUHMCJNMNCOAS-UHFFFAOYSA-N 2 2 347.513 3.198 20 0 EGADLP Cc1cccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1C ZINC001168392753 1383893391 /nfs/dbraw/zinc/89/33/91/1383893391.db2.gz SZPJAHJHEOINIK-UHFFFAOYSA-N 2 2 327.516 3.300 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168483848 1383919467 /nfs/dbraw/zinc/91/94/67/1383919467.db2.gz BDTXRKGRTCUQAV-MRXNPFEDSA-N 2 2 344.478 3.309 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168483848 1383919474 /nfs/dbraw/zinc/91/94/74/1383919474.db2.gz BDTXRKGRTCUQAV-MRXNPFEDSA-N 2 2 344.478 3.309 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)Cc1cccc(F)c1)C2 ZINC001168483848 1383919478 /nfs/dbraw/zinc/91/94/78/1383919478.db2.gz BDTXRKGRTCUQAV-MRXNPFEDSA-N 2 2 344.478 3.309 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608845 1383947847 /nfs/dbraw/zinc/94/78/47/1383947847.db2.gz FIRYVEDGKDTNMS-UWVAXJGDSA-N 2 2 330.472 3.132 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608845 1383947849 /nfs/dbraw/zinc/94/78/49/1383947849.db2.gz FIRYVEDGKDTNMS-UWVAXJGDSA-N 2 2 330.472 3.132 20 0 EGADLP Cc1ccccc1C(=O)N1CCC([NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC001308217758 1384110075 /nfs/dbraw/zinc/11/00/75/1384110075.db2.gz SQMGRUWRMPGAJN-SFHVURJKSA-N 2 2 343.515 3.064 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112760 /nfs/dbraw/zinc/11/27/60/1384112760.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 3 2 343.515 3.193 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112761 /nfs/dbraw/zinc/11/27/61/1384112761.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 3 2 343.515 3.193 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[N@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112762 /nfs/dbraw/zinc/11/27/62/1384112762.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 3 2 343.515 3.193 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141983 1384112764 /nfs/dbraw/zinc/11/27/64/1384112764.db2.gz YTOOFLMMBQHNKM-PMOLBWCYSA-N 3 2 343.515 3.193 20 0 EGADLP Cc1ccc(-c2cc[nH+]c(NCc3ncn4c3C[NH2+]CCC4)c2)cc1 ZINC001169240356 1384126305 /nfs/dbraw/zinc/12/63/05/1384126305.db2.gz LHVWJWXHINEDQF-UHFFFAOYSA-N 2 2 333.439 3.359 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cncn2Cc2cccc(Cl)c2)CC1 ZINC001169241056 1384126537 /nfs/dbraw/zinc/12/65/37/1384126537.db2.gz QIBIDHYOVVZXDO-UHFFFAOYSA-N 2 2 332.879 3.159 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169273571 1384130864 /nfs/dbraw/zinc/13/08/64/1384130864.db2.gz WJQOADVYFZKDKY-JLAWEPINSA-N 2 2 330.472 3.227 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169273571 1384130868 /nfs/dbraw/zinc/13/08/68/1384130868.db2.gz WJQOADVYFZKDKY-JLAWEPINSA-N 2 2 330.472 3.227 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169273052 1384130909 /nfs/dbraw/zinc/13/09/09/1384130909.db2.gz CANYYFAOYRDXJL-UHFFFAOYSA-N 2 2 332.488 3.476 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169273052 1384130911 /nfs/dbraw/zinc/13/09/11/1384130911.db2.gz CANYYFAOYRDXJL-UHFFFAOYSA-N 2 2 332.488 3.476 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1OC ZINC001308863508 1384155497 /nfs/dbraw/zinc/15/54/97/1384155497.db2.gz BXWHCVRYUJISAE-IRXDYDNUSA-N 2 2 334.504 3.345 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001170425565 1384316011 /nfs/dbraw/zinc/31/60/11/1384316011.db2.gz QTPXLPXEJRGCNR-ROUUACIJSA-N 2 2 330.472 3.200 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001170425565 1384316015 /nfs/dbraw/zinc/31/60/15/1384316015.db2.gz QTPXLPXEJRGCNR-ROUUACIJSA-N 2 2 330.472 3.200 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483594 1384327968 /nfs/dbraw/zinc/32/79/68/1384327968.db2.gz NNUCWINVQKNQFU-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752070 1384378842 /nfs/dbraw/zinc/37/88/42/1384378842.db2.gz UDBMTMTVYNPPOS-SMLCLMEVSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]4[C@@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752070 1384378845 /nfs/dbraw/zinc/37/88/45/1384378845.db2.gz UDBMTMTVYNPPOS-SMLCLMEVSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752070 1384378848 /nfs/dbraw/zinc/37/88/48/1384378848.db2.gz UDBMTMTVYNPPOS-SMLCLMEVSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@@H]4[C@@H](CC[N@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752070 1384378850 /nfs/dbraw/zinc/37/88/50/1384378850.db2.gz UDBMTMTVYNPPOS-SMLCLMEVSA-N 2 2 331.529 3.474 20 0 EGADLP Brc1ccc2c(c1)C[C@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001170869111 1384402104 /nfs/dbraw/zinc/40/21/04/1384402104.db2.gz NVWDPNNMRXRDLE-MRXNPFEDSA-N 2 2 347.256 3.370 20 0 EGADLP Brc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001170888134 1384405880 /nfs/dbraw/zinc/40/58/80/1384405880.db2.gz CUYRHBCBDLCZHM-SFHVURJKSA-N 2 2 349.316 3.477 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170895221 1384406864 /nfs/dbraw/zinc/40/68/64/1384406864.db2.gz PRKNVHKMNWJDFA-KRWDZBQOSA-N 2 2 348.535 3.073 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358428 1384500757 /nfs/dbraw/zinc/50/07/57/1384500757.db2.gz GVKVZDIROWBGEF-NUEKZKHPSA-N 2 2 346.500 3.040 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358428 1384500758 /nfs/dbraw/zinc/50/07/58/1384500758.db2.gz GVKVZDIROWBGEF-NUEKZKHPSA-N 2 2 346.500 3.040 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486472 1384537660 /nfs/dbraw/zinc/53/76/60/1384537660.db2.gz KANSATTZUBJZOM-KRWDZBQOSA-N 2 2 349.519 3.478 20 0 EGADLP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527441 1384551920 /nfs/dbraw/zinc/55/19/20/1384551920.db2.gz NNRJVHXUMGVZCR-UKRRQHHQSA-N 2 2 334.439 3.189 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001171606416 1384578062 /nfs/dbraw/zinc/57/80/62/1384578062.db2.gz WYYQVGQDJCHLKL-RDJZCZTQSA-N 2 2 348.535 3.134 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001171606416 1384578064 /nfs/dbraw/zinc/57/80/64/1384578064.db2.gz WYYQVGQDJCHLKL-RDJZCZTQSA-N 2 2 348.535 3.134 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1(C)C ZINC001171643945 1384590433 /nfs/dbraw/zinc/59/04/33/1384590433.db2.gz YRCSKYUGABBWJV-UHFFFAOYSA-N 2 2 349.563 3.362 20 0 EGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H](COc3ccccc3)C2)CC1(C)C ZINC001171643433 1384590652 /nfs/dbraw/zinc/59/06/52/1384590652.db2.gz SQPFJUWBSXJVIV-LJQANCHMSA-N 2 2 346.515 3.418 20 0 EGADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H](COc3ccccc3)C2)CC1(C)C ZINC001171643433 1384590657 /nfs/dbraw/zinc/59/06/57/1384590657.db2.gz SQPFJUWBSXJVIV-LJQANCHMSA-N 2 2 346.515 3.418 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171731396 1384617412 /nfs/dbraw/zinc/61/74/12/1384617412.db2.gz AINPHKQRZLKPOK-URZNZNTCSA-N 2 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171731396 1384617415 /nfs/dbraw/zinc/61/74/15/1384617415.db2.gz AINPHKQRZLKPOK-URZNZNTCSA-N 2 2 327.516 3.254 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698867 /nfs/dbraw/zinc/69/88/67/1384698867.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698868 /nfs/dbraw/zinc/69/88/68/1384698868.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698870 /nfs/dbraw/zinc/69/88/70/1384698870.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969201 1384698872 /nfs/dbraw/zinc/69/88/72/1384698872.db2.gz UJMIUHPKWRTCRR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP CC1(C)C[C@H]([NH2+]Cc2ncccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001171984617 1384703287 /nfs/dbraw/zinc/70/32/87/1384703287.db2.gz WMHHKZVVDDWJIH-QGZVFWFLSA-N 2 2 325.456 3.320 20 0 EGADLP CC1(C)C[C@H]([NH2+]Cc2ncccc2O)CC[N@H+]1Cc1ccccc1 ZINC001171984617 1384703293 /nfs/dbraw/zinc/70/32/93/1384703293.db2.gz WMHHKZVVDDWJIH-QGZVFWFLSA-N 2 2 325.456 3.320 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983497 1384703346 /nfs/dbraw/zinc/70/33/46/1384703346.db2.gz XVXIPSWRGNLCBV-WIYYLYMNSA-N 2 2 344.499 3.457 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983497 1384703348 /nfs/dbraw/zinc/70/33/48/1384703348.db2.gz XVXIPSWRGNLCBV-WIYYLYMNSA-N 2 2 344.499 3.457 20 0 EGADLP COC(=O)[C@@]1(C)CCC[NH+]1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983497 1384703351 /nfs/dbraw/zinc/70/33/51/1384703351.db2.gz XVXIPSWRGNLCBV-WIYYLYMNSA-N 2 2 344.499 3.457 20 0 EGADLP COC(=O)[C@@]1(C)CCC[NH+]1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983497 1384703353 /nfs/dbraw/zinc/70/33/53/1384703353.db2.gz XVXIPSWRGNLCBV-WIYYLYMNSA-N 2 2 344.499 3.457 20 0 EGADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC[N@@H+]1Cc1ccccc1 ZINC001171985890 1384703522 /nfs/dbraw/zinc/70/35/22/1384703522.db2.gz DADLMMJAQIXZQF-OTWHNJEPSA-N 2 2 326.484 3.341 20 0 EGADLP CC1(C)C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC[N@H+]1Cc1ccccc1 ZINC001171985890 1384703524 /nfs/dbraw/zinc/70/35/24/1384703524.db2.gz DADLMMJAQIXZQF-OTWHNJEPSA-N 2 2 326.484 3.341 20 0 EGADLP CC1(C)C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH+]1Cc1ccccc1 ZINC001171985890 1384703530 /nfs/dbraw/zinc/70/35/30/1384703530.db2.gz DADLMMJAQIXZQF-OTWHNJEPSA-N 2 2 326.484 3.341 20 0 EGADLP CC1(C)C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH+]1Cc1ccccc1 ZINC001171985890 1384703534 /nfs/dbraw/zinc/70/35/34/1384703534.db2.gz DADLMMJAQIXZQF-OTWHNJEPSA-N 2 2 326.484 3.341 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983496 1384704626 /nfs/dbraw/zinc/70/46/26/1384704626.db2.gz XVXIPSWRGNLCBV-GHTZIAJQSA-N 2 2 344.499 3.457 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@H+]1[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171983496 1384704632 /nfs/dbraw/zinc/70/46/32/1384704632.db2.gz XVXIPSWRGNLCBV-GHTZIAJQSA-N 2 2 344.499 3.457 20 0 EGADLP COC(=O)[C@@]1(C)CCC[NH+]1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983496 1384704634 /nfs/dbraw/zinc/70/46/34/1384704634.db2.gz XVXIPSWRGNLCBV-GHTZIAJQSA-N 2 2 344.499 3.457 20 0 EGADLP COC(=O)[C@@]1(C)CCC[NH+]1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983496 1384704639 /nfs/dbraw/zinc/70/46/39/1384704639.db2.gz XVXIPSWRGNLCBV-GHTZIAJQSA-N 2 2 344.499 3.457 20 0 EGADLP CO[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068460 1384718435 /nfs/dbraw/zinc/71/84/35/1384718435.db2.gz IMBJDACBVBXZEG-WPVAHCMFSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068460 1384718438 /nfs/dbraw/zinc/71/84/38/1384718438.db2.gz IMBJDACBVBXZEG-WPVAHCMFSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068460 1384718443 /nfs/dbraw/zinc/71/84/43/1384718443.db2.gz IMBJDACBVBXZEG-WPVAHCMFSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068460 1384718446 /nfs/dbraw/zinc/71/84/46/1384718446.db2.gz IMBJDACBVBXZEG-WPVAHCMFSA-N 2 2 332.463 3.241 20 0 EGADLP FCCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172075596 1384720174 /nfs/dbraw/zinc/72/01/74/1384720174.db2.gz SCCHGGHBHYPLLV-WKCHPHFGSA-N 2 2 345.506 3.159 20 0 EGADLP FCCN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075596 1384720177 /nfs/dbraw/zinc/72/01/77/1384720177.db2.gz SCCHGGHBHYPLLV-WKCHPHFGSA-N 2 2 345.506 3.159 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109721 1384729502 /nfs/dbraw/zinc/72/95/02/1384729502.db2.gz KJFZURHFDINAAK-QZHAEASPSA-N 2 2 331.548 3.231 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109721 1384729504 /nfs/dbraw/zinc/72/95/04/1384729504.db2.gz KJFZURHFDINAAK-QZHAEASPSA-N 2 2 331.548 3.231 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109721 1384729507 /nfs/dbraw/zinc/72/95/07/1384729507.db2.gz KJFZURHFDINAAK-QZHAEASPSA-N 2 2 331.548 3.231 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109721 1384729510 /nfs/dbraw/zinc/72/95/10/1384729510.db2.gz KJFZURHFDINAAK-QZHAEASPSA-N 2 2 331.548 3.231 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CCOC(C)C ZINC001172440474 1384791910 /nfs/dbraw/zinc/79/19/10/1384791910.db2.gz MOWRHYSZBCMUCT-DFQSSKMNSA-N 2 2 334.504 3.069 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C)CCOC(C)C ZINC001172440474 1384791911 /nfs/dbraw/zinc/79/19/11/1384791911.db2.gz MOWRHYSZBCMUCT-DFQSSKMNSA-N 2 2 334.504 3.069 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621809 1384821178 /nfs/dbraw/zinc/82/11/78/1384821178.db2.gz IQLLTSGQPJWCNA-WMZOPIPTSA-N 2 2 327.428 3.036 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621809 1384821184 /nfs/dbraw/zinc/82/11/84/1384821184.db2.gz IQLLTSGQPJWCNA-WMZOPIPTSA-N 2 2 327.428 3.036 20 0 EGADLP CC1(C)CC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC(C)(C)O1 ZINC001172655644 1384826575 /nfs/dbraw/zinc/82/65/75/1384826575.db2.gz APNZAHIQXIUZDA-QZTJIDSGSA-N 2 2 343.515 3.181 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172754150 1384844533 /nfs/dbraw/zinc/84/45/33/1384844533.db2.gz XALXIMIPQRCPLG-OAHLLOKOSA-N 2 2 336.451 3.196 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001172779432 1384850649 /nfs/dbraw/zinc/85/06/49/1384850649.db2.gz FUIHBSAOTKMKTH-IAGOWNOFSA-N 2 2 327.428 3.303 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001172798665 1384854763 /nfs/dbraw/zinc/85/47/63/1384854763.db2.gz ZJCPKBQQCBSAHX-MOPGFXCFSA-N 2 2 348.531 3.449 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001172798665 1384854764 /nfs/dbraw/zinc/85/47/64/1384854764.db2.gz ZJCPKBQQCBSAHX-MOPGFXCFSA-N 2 2 348.531 3.449 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172945854 1384886259 /nfs/dbraw/zinc/88/62/59/1384886259.db2.gz HJPRUAHURNURNP-MRXNPFEDSA-N 2 2 335.492 3.093 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172945854 1384886266 /nfs/dbraw/zinc/88/62/66/1384886266.db2.gz HJPRUAHURNURNP-MRXNPFEDSA-N 2 2 335.492 3.093 20 0 EGADLP CC(C)[N@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172969051 1384892499 /nfs/dbraw/zinc/89/24/99/1384892499.db2.gz VKZMQIRTXPGKHQ-INIZCTEOSA-N 2 2 341.540 3.437 20 0 EGADLP CC(C)[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172969051 1384892506 /nfs/dbraw/zinc/89/25/06/1384892506.db2.gz VKZMQIRTXPGKHQ-INIZCTEOSA-N 2 2 341.540 3.437 20 0 EGADLP c1ccc(C[NH+]2CC(C[NH2+]C3CCC4(CCOCC4)CC3)C2)cc1 ZINC001173039425 1384898463 /nfs/dbraw/zinc/89/84/63/1384898463.db2.gz KKNJKENNDHNBLN-UHFFFAOYSA-N 2 2 328.500 3.447 20 0 EGADLP CCOCc1cnc2n1CC[N@H+](C1CCC([NH+](CC)CC)CC1)[C@H]2C ZINC001173112006 1384916841 /nfs/dbraw/zinc/91/68/41/1384916841.db2.gz UIPLPAZOZGZFMG-AOCRQIFASA-N 2 2 348.535 3.449 20 0 EGADLP CCOCc1cnc2n1CC[N@@H+](C1CCC([NH+](CC)CC)CC1)[C@H]2C ZINC001173112006 1384916846 /nfs/dbraw/zinc/91/68/46/1384916846.db2.gz UIPLPAZOZGZFMG-AOCRQIFASA-N 2 2 348.535 3.449 20 0 EGADLP COC(=O)CCCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001173441894 1384971271 /nfs/dbraw/zinc/97/12/71/1384971271.db2.gz XSBKDLKOGPFNME-INIZCTEOSA-N 2 2 333.476 3.010 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001173630122 1384992106 /nfs/dbraw/zinc/99/21/06/1384992106.db2.gz FTLCKOZAZRHTSD-AQNXPRMDSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001173630122 1384992110 /nfs/dbraw/zinc/99/21/10/1384992110.db2.gz FTLCKOZAZRHTSD-AQNXPRMDSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633307 1384992643 /nfs/dbraw/zinc/99/26/43/1384992643.db2.gz PKUKLMZYBXTYDI-XSLAGTTESA-N 2 2 345.487 3.280 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001317408915 1385120403 /nfs/dbraw/zinc/12/04/03/1385120403.db2.gz NWGMJZDKEBEDJF-SUMWQHHRSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001174579847 1385121995 /nfs/dbraw/zinc/12/19/95/1385121995.db2.gz CILFWCLYPVQETG-GOSISDBHSA-N 2 2 342.487 3.046 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460973 1385299314 /nfs/dbraw/zinc/29/93/14/1385299314.db2.gz KECMXPSJTQGCGJ-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175639301 1385360044 /nfs/dbraw/zinc/36/00/44/1385360044.db2.gz XYJJVFRJCVDKAL-JKSUJKDBSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175639301 1385360047 /nfs/dbraw/zinc/36/00/47/1385360047.db2.gz XYJJVFRJCVDKAL-JKSUJKDBSA-N 2 2 334.508 3.043 20 0 EGADLP Cn1c[nH+]c2cc(Nc3ccc(OCCC[NH+](C)C)nc3)ccc21 ZINC001176355751 1385561823 /nfs/dbraw/zinc/56/18/23/1385561823.db2.gz MVLDVQLDQAMWRM-UHFFFAOYSA-N 2 2 325.416 3.042 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(C)s1 ZINC001176829384 1385715509 /nfs/dbraw/zinc/71/55/09/1385715509.db2.gz MAYDNSBVZQDXJI-CQSZACIVSA-N 2 2 348.516 3.026 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176829992 1385716119 /nfs/dbraw/zinc/71/61/19/1385716119.db2.gz XHOWNJQXVMMALC-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1)OC ZINC001318962391 1385900038 /nfs/dbraw/zinc/90/00/38/1385900038.db2.gz WTYXEYUJAHLRLU-BZSNNMDCSA-N 2 2 347.503 3.062 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC001177351725 1385925228 /nfs/dbraw/zinc/92/52/28/1385925228.db2.gz OGMZAGSJXBMQQE-SFHVURJKSA-N 2 2 346.450 3.050 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Cl ZINC001177749414 1386033298 /nfs/dbraw/zinc/03/32/98/1386033298.db2.gz UBDBZRNUIKSRAV-OLZOCXBDSA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1Cl ZINC001177749414 1386033299 /nfs/dbraw/zinc/03/32/99/1386033299.db2.gz UBDBZRNUIKSRAV-OLZOCXBDSA-N 2 2 348.796 3.312 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001319461597 1386132299 /nfs/dbraw/zinc/13/22/99/1386132299.db2.gz UJSLLKAPEVDEBE-HZPDHXFCSA-N 2 2 344.503 3.375 20 0 EGADLP C[NH+](C)CCOc1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001178132281 1386137876 /nfs/dbraw/zinc/13/78/76/1386137876.db2.gz SAISSEPCIZVFFT-UHFFFAOYSA-N 2 2 336.439 3.425 20 0 EGADLP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346960 1386193877 /nfs/dbraw/zinc/19/38/77/1386193877.db2.gz YRRKQLVOUZAOOB-SNAWJCMRSA-N 2 2 334.508 3.355 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409427 1386209088 /nfs/dbraw/zinc/20/90/88/1386209088.db2.gz SPYKQQAWFOIJHJ-CQSZACIVSA-N 2 2 348.406 3.168 20 0 EGADLP O=C(NCCCCCC[NH2+]Cc1ccsc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752592 1386294173 /nfs/dbraw/zinc/29/41/73/1386294173.db2.gz WAALSFZKFGSGBZ-HZPDHXFCSA-N 2 2 346.500 3.041 20 0 EGADLP O=C(NCCCCCC[NH2+]Cc1ccsc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752592 1386294177 /nfs/dbraw/zinc/29/41/77/1386294177.db2.gz WAALSFZKFGSGBZ-HZPDHXFCSA-N 2 2 346.500 3.041 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCCCCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001178774541 1386300504 /nfs/dbraw/zinc/30/05/04/1386300504.db2.gz YGFYOYOPGFUUNG-SFHVURJKSA-N 2 2 334.508 3.147 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001178957127 1386360185 /nfs/dbraw/zinc/36/01/85/1386360185.db2.gz NPDDVMBJEKXPKH-BZSNNMDCSA-N 2 2 348.535 3.486 20 0 EGADLP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957323 1386360275 /nfs/dbraw/zinc/36/02/75/1386360275.db2.gz XFOBLMOJBJGXSU-OKZBNKHCSA-N 2 2 334.508 3.240 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995871 1386371628 /nfs/dbraw/zinc/37/16/28/1386371628.db2.gz WARDLBIVFAOBBD-KBSCQGNFSA-N 2 2 326.444 3.112 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179561752 1386515429 /nfs/dbraw/zinc/51/54/29/1386515429.db2.gz ZVXHILALORZNAY-REMYHPOOSA-N 2 2 346.519 3.452 20 0 EGADLP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001179840406 1386603572 /nfs/dbraw/zinc/60/35/72/1386603572.db2.gz FSGJDMBRHCCGRX-GJYPPUQNSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)c1 ZINC001180470513 1386807288 /nfs/dbraw/zinc/80/72/88/1386807288.db2.gz OHNJCBAZQBMAKC-GOSISDBHSA-N 2 2 342.487 3.219 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC001180477736 1386808957 /nfs/dbraw/zinc/80/89/57/1386808957.db2.gz CUWBVRGCBXAHEH-INIZCTEOSA-N 2 2 346.450 3.050 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181278223 1386971087 /nfs/dbraw/zinc/97/10/87/1386971087.db2.gz CCFJKWGVXBEQFV-MBOZVWFJSA-N 2 2 348.535 3.099 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001322298517 1387147560 /nfs/dbraw/zinc/14/75/60/1387147560.db2.gz LXCQJFJPSLZZQZ-KBPBESRZSA-N 2 2 348.878 3.043 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001322298517 1387147565 /nfs/dbraw/zinc/14/75/65/1387147565.db2.gz LXCQJFJPSLZZQZ-KBPBESRZSA-N 2 2 348.878 3.043 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767992 1387221585 /nfs/dbraw/zinc/22/15/85/1387221585.db2.gz VATJHXCBLOQBKB-GGMBLYHPSA-N 2 2 346.519 3.265 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855988 1387235462 /nfs/dbraw/zinc/23/54/62/1387235462.db2.gz NQQSDTNQOIAHEU-BNAAHYRBSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855988 1387235463 /nfs/dbraw/zinc/23/54/63/1387235463.db2.gz NQQSDTNQOIAHEU-BNAAHYRBSA-N 2 2 346.519 3.019 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001322861206 1387248009 /nfs/dbraw/zinc/24/80/09/1387248009.db2.gz HOMIRBCWLPLNOL-CQSZACIVSA-N 2 2 345.468 3.315 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)s1 ZINC001322861206 1387248012 /nfs/dbraw/zinc/24/80/12/1387248012.db2.gz HOMIRBCWLPLNOL-CQSZACIVSA-N 2 2 345.468 3.315 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861585 1387249085 /nfs/dbraw/zinc/24/90/85/1387249085.db2.gz JNPLJGUTXWPCII-YJBOKZPZSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861585 1387249087 /nfs/dbraw/zinc/24/90/87/1387249087.db2.gz JNPLJGUTXWPCII-YJBOKZPZSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001336783891 1389168856 /nfs/dbraw/zinc/16/88/56/1389168856.db2.gz NZFRQBRCHKPHDT-INIZCTEOSA-N 2 2 347.478 3.459 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001336783891 1389168859 /nfs/dbraw/zinc/16/88/59/1389168859.db2.gz NZFRQBRCHKPHDT-INIZCTEOSA-N 2 2 347.478 3.459 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC001338418233 1389679720 /nfs/dbraw/zinc/67/97/20/1389679720.db2.gz LBKNYLKNKMMYEH-UXHICEINSA-N 2 2 335.451 3.336 20 0 EGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC001342847103 1390662353 /nfs/dbraw/zinc/66/23/53/1390662353.db2.gz IIZGNEPBSDWOIU-QGZVFWFLSA-N 2 2 326.843 3.194 20 0 EGADLP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC001342847103 1390662355 /nfs/dbraw/zinc/66/23/55/1390662355.db2.gz IIZGNEPBSDWOIU-QGZVFWFLSA-N 2 2 326.843 3.194 20 0 EGADLP CO[C@@H]1CCC[C@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)C1 ZINC001344379751 1390787888 /nfs/dbraw/zinc/78/78/88/1390787888.db2.gz BOUWWLYLTCYAHN-LSDHHAIUSA-N 2 2 328.416 3.110 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)CCCn1cc[nH+]c1 ZINC001488704865 1391706431 /nfs/dbraw/zinc/70/64/31/1391706431.db2.gz YUIQSWMLHMPJQA-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)CCCn1cc[nH+]c1 ZINC001488704865 1391706434 /nfs/dbraw/zinc/70/64/34/1391706434.db2.gz YUIQSWMLHMPJQA-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)c1ccccc1Cl ZINC001480991577 1393072415 /nfs/dbraw/zinc/07/24/15/1393072415.db2.gz YMNSEBBHDBEQIK-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H](C)c1ccccc1Cl ZINC001480991577 1393072418 /nfs/dbraw/zinc/07/24/18/1393072418.db2.gz YMNSEBBHDBEQIK-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](CC2CC(C)C2)C2CC2)c(C)[nH+]1 ZINC001481179375 1393142784 /nfs/dbraw/zinc/14/27/84/1393142784.db2.gz ZPDYBRPYVDOPIT-UHFFFAOYSA-N 2 2 329.488 3.247 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@H+](CC2CC(C)C2)C2CC2)c(C)[nH+]1 ZINC001481179375 1393142785 /nfs/dbraw/zinc/14/27/85/1393142785.db2.gz ZPDYBRPYVDOPIT-UHFFFAOYSA-N 2 2 329.488 3.247 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001490765961 1394328651 /nfs/dbraw/zinc/32/86/51/1394328651.db2.gz VYNOXSJOCLFAAA-QGZVFWFLSA-N 2 2 340.471 3.066 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001490765961 1394328655 /nfs/dbraw/zinc/32/86/55/1394328655.db2.gz VYNOXSJOCLFAAA-QGZVFWFLSA-N 2 2 340.471 3.066 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CC(C)C)CC(C)C)ccn12 ZINC001482383859 1394944515 /nfs/dbraw/zinc/94/45/15/1394944515.db2.gz DMGCZTVCWJATHE-KRWDZBQOSA-N 2 2 330.476 3.033 20 0 EGADLP CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCCC1 ZINC001698969029 1406730201 /nfs/dbraw/zinc/73/02/01/1406730201.db2.gz VIQJLMCWMZUPCJ-IBGZPJMESA-N 2 2 342.487 3.487 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001482494682 1395046863 /nfs/dbraw/zinc/04/68/63/1395046863.db2.gz OUGHPKGZJVGUAO-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C/C=C\Cl ZINC001485433869 1395900983 /nfs/dbraw/zinc/90/09/83/1395900983.db2.gz CVTQJLZUCRFLMX-HMZQOCAUSA-N 2 2 348.878 3.163 20 0 EGADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CCC1CCCCCC1 ZINC001493049303 1396334215 /nfs/dbraw/zinc/33/42/15/1396334215.db2.gz QHJQMCDUNMVHQF-UHFFFAOYSA-N 2 2 334.508 3.059 20 0 EGADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CCC1CCCCCC1 ZINC001493049303 1396334216 /nfs/dbraw/zinc/33/42/16/1396334216.db2.gz QHJQMCDUNMVHQF-UHFFFAOYSA-N 2 2 334.508 3.059 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001690023306 1404262467 /nfs/dbraw/zinc/26/24/67/1404262467.db2.gz LSMLLAYPPPJDTJ-UHFFFAOYSA-N 2 2 334.508 3.091 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001690023306 1404262470 /nfs/dbraw/zinc/26/24/70/1404262470.db2.gz LSMLLAYPPPJDTJ-UHFFFAOYSA-N 2 2 334.508 3.091 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC001690606057 1404649038 /nfs/dbraw/zinc/64/90/38/1404649038.db2.gz FRHFSUDXACSSOS-IRXDYDNUSA-N 2 2 348.450 3.341 20 0 EGADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@H](C)c1ccccc1 ZINC001690854924 1404778732 /nfs/dbraw/zinc/77/87/32/1404778732.db2.gz VFHAPUJUTMFKTG-HZPDHXFCSA-N 2 2 336.439 3.194 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047710 1404960648 /nfs/dbraw/zinc/96/06/48/1404960648.db2.gz FHOBDJIRHOLMPA-DOTOQJQBSA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047710 1404960652 /nfs/dbraw/zinc/96/06/52/1404960652.db2.gz FHOBDJIRHOLMPA-DOTOQJQBSA-N 2 2 342.487 3.391 20 0 EGADLP C[C@H](CC(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1Cl)n1cc[nH+]c1 ZINC001691495611 1405302051 /nfs/dbraw/zinc/30/20/51/1405302051.db2.gz PYUVBRDHSNVLDT-CABCVRRESA-N 2 2 348.878 3.297 20 0 EGADLP CC[C@H](C(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001692256165 1405883534 /nfs/dbraw/zinc/88/35/34/1405883534.db2.gz WSXACFUATYNXAR-HNAYVOBHSA-N 2 2 331.504 3.012 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001698601521 1406227453 /nfs/dbraw/zinc/22/74/53/1406227453.db2.gz TZYFKDIZKTULNV-XJKSGUPXSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001698601521 1406227455 /nfs/dbraw/zinc/22/74/55/1406227455.db2.gz TZYFKDIZKTULNV-XJKSGUPXSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CCCC(C)(C)C)C3)ccn12 ZINC001732127787 1428375683 /nfs/dbraw/zinc/37/56/83/1428375683.db2.gz RKUWGESUTOUWHC-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001732366051 1428550140 /nfs/dbraw/zinc/55/01/40/1428550140.db2.gz AEWRMOMAJRZDSL-STQMWFEESA-N 2 2 348.878 3.017 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465466 1412831347 /nfs/dbraw/zinc/83/13/47/1412831347.db2.gz ZFXGLSGNXUBHNB-HZPDHXFCSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465466 1412831354 /nfs/dbraw/zinc/83/13/54/1412831354.db2.gz ZFXGLSGNXUBHNB-HZPDHXFCSA-N 2 2 342.487 3.273 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001700366532 1413892620 /nfs/dbraw/zinc/89/26/20/1413892620.db2.gz WKWWRZSYZZULEY-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001700366532 1413892628 /nfs/dbraw/zinc/89/26/28/1413892628.db2.gz WKWWRZSYZZULEY-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001701022395 1414683058 /nfs/dbraw/zinc/68/30/58/1414683058.db2.gz QZLGZGRYLKVLGL-DMKPSLHHSA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001732731217 1428933026 /nfs/dbraw/zinc/93/30/26/1428933026.db2.gz DXDXQISGVNUXRP-CXAGYDPISA-N 2 2 348.878 3.241 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@H]([NH2+]C/C=C\Cl)C3)ccn12 ZINC001713372954 1417983485 /nfs/dbraw/zinc/98/34/85/1417983485.db2.gz LLJWOTUACSDQDI-TTXFDSJOSA-N 2 2 346.862 3.026 20 0 EGADLP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001713558618 1418354671 /nfs/dbraw/zinc/35/46/71/1418354671.db2.gz PIDPSTCSZYLNGC-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NCC[N@@H+](CCCC1CCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001713558618 1418354675 /nfs/dbraw/zinc/35/46/75/1418354675.db2.gz PIDPSTCSZYLNGC-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713754337 1418556991 /nfs/dbraw/zinc/55/69/91/1418556991.db2.gz FMHCAGPCUKRMLE-QGZVFWFLSA-N 2 2 340.471 3.066 20 0 EGADLP CCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713754337 1418556995 /nfs/dbraw/zinc/55/69/95/1418556995.db2.gz FMHCAGPCUKRMLE-QGZVFWFLSA-N 2 2 340.471 3.066 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001713786810 1418603890 /nfs/dbraw/zinc/60/38/90/1418603890.db2.gz XQWWBLCCYRKTAX-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001713786810 1418603892 /nfs/dbraw/zinc/60/38/92/1418603892.db2.gz XQWWBLCCYRKTAX-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]([NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC001714139384 1418941940 /nfs/dbraw/zinc/94/19/40/1418941940.db2.gz PONHZAPNIHHHGU-QGZVFWFLSA-N 2 2 340.471 3.053 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714987408 1419720763 /nfs/dbraw/zinc/72/07/63/1419720763.db2.gz JTGRXABHNITRSX-XIRDDKMYSA-N 2 2 340.471 3.144 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714987408 1419720766 /nfs/dbraw/zinc/72/07/66/1419720766.db2.gz JTGRXABHNITRSX-XIRDDKMYSA-N 2 2 340.471 3.144 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715337696 1420041473 /nfs/dbraw/zinc/04/14/73/1420041473.db2.gz CRPYMXIEWJZONQ-CABCVRRESA-N 2 2 330.476 3.295 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@@H](C)c1ccccc1C)C(C)C ZINC001715502791 1420185800 /nfs/dbraw/zinc/18/58/00/1420185800.db2.gz BOMUVFVYIALDFE-HNAYVOBHSA-N 2 2 342.487 3.061 20 0 EGADLP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030952 1420489630 /nfs/dbraw/zinc/48/96/30/1420489630.db2.gz YWHICCNHULDBJJ-CABCVRRESA-N 2 2 336.439 3.374 20 0 EGADLP C[C@H](C[N@@H+](C)[C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030952 1420489633 /nfs/dbraw/zinc/48/96/33/1420489633.db2.gz YWHICCNHULDBJJ-CABCVRRESA-N 2 2 336.439 3.374 20 0 EGADLP C[C@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001717207965 1421179750 /nfs/dbraw/zinc/17/97/50/1421179750.db2.gz WXYQTSFWNHQIFJ-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001717207965 1421179751 /nfs/dbraw/zinc/17/97/51/1421179751.db2.gz WXYQTSFWNHQIFJ-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001717745316 1421608465 /nfs/dbraw/zinc/60/84/65/1421608465.db2.gz SYCUYCASIKPCOK-KLAILNCOSA-N 2 2 348.535 3.241 20 0 EGADLP CCC[NH+]1CCC(C)(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001733450312 1429661863 /nfs/dbraw/zinc/66/18/63/1429661863.db2.gz PXAMOYBVDANRDC-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001725754478 1426433429 /nfs/dbraw/zinc/43/34/29/1426433429.db2.gz GSHOCRIABNFJDP-GOSISDBHSA-N 2 2 348.535 3.054 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC001734274745 1438008738 /nfs/dbraw/zinc/00/87/38/1438008738.db2.gz QNCLDHSSTDUCFD-UHFFFAOYSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001734274745 1438008739 /nfs/dbraw/zinc/00/87/39/1438008739.db2.gz QNCLDHSSTDUCFD-UHFFFAOYSA-N 2 2 346.519 3.154 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734566655 1438161998 /nfs/dbraw/zinc/16/19/98/1438161998.db2.gz CNENZIKFKQAUEU-SFHVURJKSA-N 2 2 340.471 3.016 20 0 EGADLP CC(C)CCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001752307954 1440168919 /nfs/dbraw/zinc/16/89/19/1440168919.db2.gz CFGQAGXYVGOZMH-QGZVFWFLSA-N 2 2 334.508 3.193 20 0 EGADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001752440441 1440181284 /nfs/dbraw/zinc/18/12/84/1440181284.db2.gz WZCQTHGRWYGXPG-KRWDZBQOSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001752473113 1440184746 /nfs/dbraw/zinc/18/47/46/1440184746.db2.gz IYIPNFVSBZJLRU-WBVHZDCISA-N 2 2 342.487 3.115 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752576495 1440195673 /nfs/dbraw/zinc/19/56/73/1440195673.db2.gz OZHVZXMSIGTBGX-FDICQLOXSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992453 1440259981 /nfs/dbraw/zinc/25/99/81/1440259981.db2.gz MMGBQEBQQCHLOJ-OALUTQOASA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992453 1440259982 /nfs/dbraw/zinc/25/99/82/1440259982.db2.gz MMGBQEBQQCHLOJ-OALUTQOASA-N 2 2 346.519 3.193 20 0 EGADLP C[N@H+](CCCCCF)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752993048 1440260382 /nfs/dbraw/zinc/26/03/82/1440260382.db2.gz YYJURMAYYSSYMG-INIZCTEOSA-N 2 2 346.450 3.239 20 0 EGADLP C[N@@H+](CCCCCF)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752993048 1440260383 /nfs/dbraw/zinc/26/03/83/1440260383.db2.gz YYJURMAYYSSYMG-INIZCTEOSA-N 2 2 346.450 3.239 20 0 EGADLP CCCC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001753285601 1440348565 /nfs/dbraw/zinc/34/85/65/1440348565.db2.gz RBRGYGPGALOSQC-UHFFFAOYSA-N 2 2 330.476 3.273 20 0 EGADLP CCCC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001753285601 1440348566 /nfs/dbraw/zinc/34/85/66/1440348566.db2.gz RBRGYGPGALOSQC-UHFFFAOYSA-N 2 2 330.476 3.273 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001753351684 1440378132 /nfs/dbraw/zinc/37/81/32/1440378132.db2.gz YGZMYDZXNQGWMD-QGZVFWFLSA-N 2 2 342.487 3.309 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001753351684 1440378133 /nfs/dbraw/zinc/37/81/33/1440378133.db2.gz YGZMYDZXNQGWMD-QGZVFWFLSA-N 2 2 342.487 3.309 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H](C)CC(C)C ZINC001753477332 1440415447 /nfs/dbraw/zinc/41/54/47/1440415447.db2.gz DRVBZPQAOOZPHD-GDBMZVCRSA-N 2 2 330.476 3.343 20 0 EGADLP CC[C@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753550297 1440434863 /nfs/dbraw/zinc/43/48/63/1440434863.db2.gz OAIYMVDVUKUHAB-ZBFHGGJFSA-N 2 2 346.450 3.143 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753586084 1440441418 /nfs/dbraw/zinc/44/14/18/1440441418.db2.gz JAOZVEXKTIKUGL-ULQDDVLXSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753586084 1440441419 /nfs/dbraw/zinc/44/14/19/1440441419.db2.gz JAOZVEXKTIKUGL-ULQDDVLXSA-N 2 2 334.508 3.042 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001753640087 1440454243 /nfs/dbraw/zinc/45/42/43/1440454243.db2.gz AXPQSWRRVJXKHE-OLZOCXBDSA-N 2 2 348.878 3.017 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001753694954 1440467310 /nfs/dbraw/zinc/46/73/10/1440467310.db2.gz JXUWZQYBNKYNPI-SJORKVTESA-N 2 2 342.487 3.157 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001753694954 1440467311 /nfs/dbraw/zinc/46/73/11/1440467311.db2.gz JXUWZQYBNKYNPI-SJORKVTESA-N 2 2 342.487 3.157 20 0 EGADLP CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC1CCCCCC1 ZINC001753836252 1440501085 /nfs/dbraw/zinc/50/10/85/1440501085.db2.gz XSDPVACPEKKALT-SFHVURJKSA-N 2 2 348.535 3.054 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CC3=CCCCC3)ccn12 ZINC001753966806 1440526608 /nfs/dbraw/zinc/52/66/08/1440526608.db2.gz WHCVJVNVNBCRBP-OAHLLOKOSA-N 2 2 340.471 3.241 20 0 EGADLP Cc1ccc(C[NH2+]C/C=C/CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001754150016 1440544973 /nfs/dbraw/zinc/54/49/73/1440544973.db2.gz ABBZBBCRRCBOPG-AATRIKPKSA-N 2 2 337.467 3.391 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001754345286 1440589615 /nfs/dbraw/zinc/58/96/15/1440589615.db2.gz IYVVQPVZRBSPOO-RTBURBONSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001754471451 1440605632 /nfs/dbraw/zinc/60/56/32/1440605632.db2.gz YYRADLJMVJZHRE-MOPGFXCFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)c1ccc2ccccc2c1 ZINC001754536728 1440624917 /nfs/dbraw/zinc/62/49/17/1440624917.db2.gz AECODHMOEHCECH-INIZCTEOSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001754631219 1440647839 /nfs/dbraw/zinc/64/78/39/1440647839.db2.gz MZIHLAIZKGGDPH-UHFFFAOYSA-N 2 2 344.503 3.122 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001754795900 1440689397 /nfs/dbraw/zinc/68/93/97/1440689397.db2.gz UUANOHARWAEXCM-HOCLYGCPSA-N 2 2 342.487 3.439 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001755241327 1440789536 /nfs/dbraw/zinc/78/95/36/1440789536.db2.gz YRELBYZOVCUSJG-LSDHHAIUSA-N 2 2 336.439 3.168 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366253 1440834689 /nfs/dbraw/zinc/83/46/89/1440834689.db2.gz NVZVIYFEQINHKG-WRFKIARRSA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366253 1440834690 /nfs/dbraw/zinc/83/46/90/1440834690.db2.gz NVZVIYFEQINHKG-WRFKIARRSA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755376579 1440838380 /nfs/dbraw/zinc/83/83/80/1440838380.db2.gz GMUYZDFSJPMHSS-KJPDOMRESA-N 2 2 340.471 3.049 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001755475567 1440859387 /nfs/dbraw/zinc/85/93/87/1440859387.db2.gz FBLSFKKDPZEGSD-BQFCYCMXSA-N 2 2 340.471 3.016 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000368578096 168376698 /nfs/dbraw/zinc/37/66/98/168376698.db2.gz ZJPRFTYFZCRQOL-PKOBYXMFSA-N 2 2 333.520 3.334 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000368578096 168376699 /nfs/dbraw/zinc/37/66/99/168376699.db2.gz ZJPRFTYFZCRQOL-PKOBYXMFSA-N 2 2 333.520 3.334 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000353011333 282240049 /nfs/dbraw/zinc/24/00/49/282240049.db2.gz WLQFFFSPCCCHRP-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000353011333 282240051 /nfs/dbraw/zinc/24/00/51/282240051.db2.gz WLQFFFSPCCCHRP-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000353011333 282240053 /nfs/dbraw/zinc/24/00/53/282240053.db2.gz WLQFFFSPCCCHRP-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000353011333 282240054 /nfs/dbraw/zinc/24/00/54/282240054.db2.gz WLQFFFSPCCCHRP-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000066403530 215038142 /nfs/dbraw/zinc/03/81/42/215038142.db2.gz MDDKTKKZABRYNO-UHFFFAOYSA-N 2 2 346.906 3.445 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308815 216146169 /nfs/dbraw/zinc/14/61/69/216146169.db2.gz KDVCYJHABYDAIQ-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308815 216146173 /nfs/dbraw/zinc/14/61/73/216146173.db2.gz KDVCYJHABYDAIQ-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308815 216146174 /nfs/dbraw/zinc/14/61/74/216146174.db2.gz KDVCYJHABYDAIQ-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308815 216146178 /nfs/dbraw/zinc/14/61/78/216146178.db2.gz KDVCYJHABYDAIQ-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)no1 ZINC000129701136 223082492 /nfs/dbraw/zinc/08/24/92/223082492.db2.gz ZBAPVEDBWDKRFN-DOTOQJQBSA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)no1 ZINC000129701136 223082494 /nfs/dbraw/zinc/08/24/94/223082494.db2.gz ZBAPVEDBWDKRFN-DOTOQJQBSA-N 2 2 337.427 3.325 20 0 EGADLP CCO[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000193429608 240160086 /nfs/dbraw/zinc/16/00/86/240160086.db2.gz MLAMVDNSOFIFRF-OAQYLSRUSA-N 2 2 339.483 3.413 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(Br)c3F)C[C@@H]21 ZINC000230320260 242258510 /nfs/dbraw/zinc/25/85/10/242258510.db2.gz MAILBGROAWLYHE-ISTVAULSSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(Br)c3F)C[C@@H]21 ZINC000230320260 242258516 /nfs/dbraw/zinc/25/85/16/242258516.db2.gz MAILBGROAWLYHE-ISTVAULSSA-N 2 2 345.231 3.287 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1OC(F)F ZINC000248022316 296123942 /nfs/dbraw/zinc/12/39/42/296123942.db2.gz NYBGEESHADBESW-RBSFLKMASA-N 2 2 342.430 3.438 20 0 EGADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000262618347 245068963 /nfs/dbraw/zinc/06/89/63/245068963.db2.gz DILOJSTVUBSTBR-INIZCTEOSA-N 2 2 344.484 3.076 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000079557356 217241112 /nfs/dbraw/zinc/24/11/12/217241112.db2.gz RBKBARNURYMGMI-LPHOPBHVSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000079557356 217241116 /nfs/dbraw/zinc/24/11/16/217241116.db2.gz RBKBARNURYMGMI-LPHOPBHVSA-N 2 2 348.450 3.117 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000266234711 248192193 /nfs/dbraw/zinc/19/21/93/248192193.db2.gz VMWQXWFEWPXROK-CYBMUJFWSA-N 2 2 328.441 3.326 20 0 EGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000377564332 169042177 /nfs/dbraw/zinc/04/21/77/169042177.db2.gz NQWWWUWEXGHDDP-MRXNPFEDSA-N 2 2 338.386 3.192 20 0 EGADLP C[C@@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CCOCC1 ZINC000378166184 169079450 /nfs/dbraw/zinc/07/94/50/169079450.db2.gz PZRJYUMLLNWREN-QGZVFWFLSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CCOCC1 ZINC000378166184 169079451 /nfs/dbraw/zinc/07/94/51/169079451.db2.gz PZRJYUMLLNWREN-QGZVFWFLSA-N 2 2 338.536 3.205 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253637 218130706 /nfs/dbraw/zinc/13/07/06/218130706.db2.gz DCQKLLGOYDDSON-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253637 218130707 /nfs/dbraw/zinc/13/07/07/218130707.db2.gz DCQKLLGOYDDSON-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092253637 218130708 /nfs/dbraw/zinc/13/07/08/218130708.db2.gz DCQKLLGOYDDSON-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092253637 218130710 /nfs/dbraw/zinc/13/07/10/218130710.db2.gz DCQKLLGOYDDSON-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(C2CC2)n1 ZINC000092821014 218171257 /nfs/dbraw/zinc/17/12/57/218171257.db2.gz CPPZTOSZNINHAU-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(C2CC2)n1 ZINC000092821014 218171259 /nfs/dbraw/zinc/17/12/59/218171259.db2.gz CPPZTOSZNINHAU-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000093405391 218222936 /nfs/dbraw/zinc/22/29/36/218222936.db2.gz WCKVKYUVOACNNI-KGLIPLIRSA-N 2 2 348.491 3.446 20 0 EGADLP Fc1cc(F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000093735184 218245607 /nfs/dbraw/zinc/24/56/07/218245607.db2.gz HGHSMXYULKTGRD-UHFFFAOYSA-N 2 2 342.405 3.181 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+]1CCOCC1 ZINC000153232824 224077127 /nfs/dbraw/zinc/07/71/27/224077127.db2.gz IRTAUBKUBCDWGZ-OAGGEKHMSA-N 2 2 347.528 3.346 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)nnn1-c1ccc(C)cc1 ZINC000268781198 252231257 /nfs/dbraw/zinc/23/12/57/252231257.db2.gz XXLWRMRCFYFCGI-OAHLLOKOSA-N 2 2 339.487 3.162 20 0 EGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268792566 252243682 /nfs/dbraw/zinc/24/36/82/252243682.db2.gz YKDKKZRHLGEDCS-YJBOKZPZSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268792566 252243684 /nfs/dbraw/zinc/24/36/84/252243684.db2.gz YKDKKZRHLGEDCS-YJBOKZPZSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849923 252298906 /nfs/dbraw/zinc/29/89/06/252298906.db2.gz WFRICVXYQMDORV-RDJZCZTQSA-N 2 2 339.487 3.019 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849923 252298909 /nfs/dbraw/zinc/29/89/09/252298909.db2.gz WFRICVXYQMDORV-RDJZCZTQSA-N 2 2 339.487 3.019 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3nc4ccccc4s3)CC2)c1 ZINC000171612898 533068931 /nfs/dbraw/zinc/06/89/31/533068931.db2.gz GNQJKHUKUACLGF-UHFFFAOYSA-N 2 2 340.452 3.022 20 0 EGADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000118868130 221198618 /nfs/dbraw/zinc/19/86/18/221198618.db2.gz JCMCPMHAZGLSEE-HNNXBMFYSA-N 2 2 347.503 3.069 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000118994639 221219461 /nfs/dbraw/zinc/21/94/61/221219461.db2.gz FTGQKLKAXAYJIJ-TYNCELHUSA-N 2 2 328.403 3.115 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000118994639 221219463 /nfs/dbraw/zinc/21/94/63/221219463.db2.gz FTGQKLKAXAYJIJ-TYNCELHUSA-N 2 2 328.403 3.115 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@@H+]1C1CC1 ZINC000119687513 221377335 /nfs/dbraw/zinc/37/73/35/221377335.db2.gz XMVAAJCFNWKXGN-GOEBONIOSA-N 2 2 342.512 3.353 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@H+]1C1CC1 ZINC000119687513 221377338 /nfs/dbraw/zinc/37/73/38/221377338.db2.gz XMVAAJCFNWKXGN-GOEBONIOSA-N 2 2 342.512 3.353 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@@H+]1C1CC1 ZINC000119687040 221377376 /nfs/dbraw/zinc/37/73/76/221377376.db2.gz XMVAAJCFNWKXGN-ZBFHGGJFSA-N 2 2 342.512 3.353 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@H+]1C1CC1 ZINC000119687040 221377378 /nfs/dbraw/zinc/37/73/78/221377378.db2.gz XMVAAJCFNWKXGN-ZBFHGGJFSA-N 2 2 342.512 3.353 20 0 EGADLP C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)([NH+](C)C)C1 ZINC000106541415 296492607 /nfs/dbraw/zinc/49/26/07/296492607.db2.gz NTOYOJXZIIPYTA-MDZRGWNJSA-N 2 2 347.507 3.157 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246924829 141044255 /nfs/dbraw/zinc/04/42/55/141044255.db2.gz DFQQFFMDMGTQIV-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246924829 141044256 /nfs/dbraw/zinc/04/42/56/141044256.db2.gz DFQQFFMDMGTQIV-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000341256619 141145002 /nfs/dbraw/zinc/14/50/02/141145002.db2.gz UDLSRWBSWDPDCX-OXQOHEQNSA-N 2 2 334.467 3.358 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000341256619 141145003 /nfs/dbraw/zinc/14/50/03/141145003.db2.gz UDLSRWBSWDPDCX-OXQOHEQNSA-N 2 2 334.467 3.358 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000346467859 141200642 /nfs/dbraw/zinc/20/06/42/141200642.db2.gz UUPDZIWDPMJLFF-HXUWFJFHSA-N 2 2 344.455 3.078 20 0 EGADLP CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347910188 141214871 /nfs/dbraw/zinc/21/48/71/141214871.db2.gz JMRCJFGLTJKWKO-GJZGRUSLSA-N 2 2 325.522 3.230 20 0 EGADLP CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347910188 141214873 /nfs/dbraw/zinc/21/48/73/141214873.db2.gz JMRCJFGLTJKWKO-GJZGRUSLSA-N 2 2 325.522 3.230 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003524 141283486 /nfs/dbraw/zinc/28/34/86/141283486.db2.gz SWWJGDWRMACBHW-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003524 141283489 /nfs/dbraw/zinc/28/34/89/141283489.db2.gz SWWJGDWRMACBHW-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003524 141283491 /nfs/dbraw/zinc/28/34/91/141283491.db2.gz SWWJGDWRMACBHW-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003524 141283493 /nfs/dbraw/zinc/28/34/93/141283493.db2.gz SWWJGDWRMACBHW-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC000185200970 144106601 /nfs/dbraw/zinc/10/66/01/144106601.db2.gz MACWWECZNZNETM-WOJBJXKFSA-N 2 2 346.515 3.201 20 0 EGADLP CCOC(=O)C[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000185235265 144108299 /nfs/dbraw/zinc/10/82/99/144108299.db2.gz IONLXEVKVXKYJP-IBGZPJMESA-N 2 2 329.444 3.330 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@@H+]1C ZINC000344624507 144201164 /nfs/dbraw/zinc/20/11/64/144201164.db2.gz IXUGBKKYTPRGDI-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624507 144201166 /nfs/dbraw/zinc/20/11/66/144201166.db2.gz IXUGBKKYTPRGDI-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734525 144217292 /nfs/dbraw/zinc/21/72/92/144217292.db2.gz XUJAWTMOEPQKSZ-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734525 144217294 /nfs/dbraw/zinc/21/72/94/144217294.db2.gz XUJAWTMOEPQKSZ-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344790940 144225231 /nfs/dbraw/zinc/22/52/31/144225231.db2.gz PVQKUEWCVOHUJB-YJBOKZPZSA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000344790940 144225233 /nfs/dbraw/zinc/22/52/33/144225233.db2.gz PVQKUEWCVOHUJB-YJBOKZPZSA-N 2 2 342.439 3.209 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351475475 144266368 /nfs/dbraw/zinc/26/63/68/144266368.db2.gz IIVJPMCNQFXECN-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351475475 144266369 /nfs/dbraw/zinc/26/63/69/144266369.db2.gz IIVJPMCNQFXECN-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351475475 144266370 /nfs/dbraw/zinc/26/63/70/144266370.db2.gz IIVJPMCNQFXECN-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351475475 144266371 /nfs/dbraw/zinc/26/63/71/144266371.db2.gz IIVJPMCNQFXECN-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)Cc1ccccc1 ZINC000374295558 144537004 /nfs/dbraw/zinc/53/70/04/144537004.db2.gz MMGASVXWPIJFJD-WOJBJXKFSA-N 2 2 330.516 3.488 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000341096520 155155774 /nfs/dbraw/zinc/15/57/74/155155774.db2.gz VXQWUQSSXYKCPK-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000341096520 155155776 /nfs/dbraw/zinc/15/57/76/155155776.db2.gz VXQWUQSSXYKCPK-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CCOC2)cc1 ZINC000341125432 155175702 /nfs/dbraw/zinc/17/57/02/155175702.db2.gz KRSIKHXZQTWBTD-LJQANCHMSA-N 2 2 343.471 3.211 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CCOC2)cc1 ZINC000341125432 155175709 /nfs/dbraw/zinc/17/57/09/155175709.db2.gz KRSIKHXZQTWBTD-LJQANCHMSA-N 2 2 343.471 3.211 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)CC(C)C ZINC000341211969 155210584 /nfs/dbraw/zinc/21/05/84/155210584.db2.gz JKVYNQKEZQNORU-IAGOWNOFSA-N 2 2 349.523 3.055 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000116393541 152057769 /nfs/dbraw/zinc/05/77/69/152057769.db2.gz UJEPQHHWIRNMJQ-OXJNMPFZSA-N 2 2 337.467 3.028 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117607184 152106649 /nfs/dbraw/zinc/10/66/49/152106649.db2.gz KJGKYALHTNGPFR-UHFFFAOYSA-N 2 2 342.487 3.312 20 0 EGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117756863 152114675 /nfs/dbraw/zinc/11/46/75/152114675.db2.gz CZOLRIXONLVUIV-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117756863 152114676 /nfs/dbraw/zinc/11/46/76/152114676.db2.gz CZOLRIXONLVUIV-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000119865066 152235284 /nfs/dbraw/zinc/23/52/84/152235284.db2.gz BUFCYVHPWYDHRV-MCIONIFRSA-N 2 2 325.522 3.164 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000120174902 152256140 /nfs/dbraw/zinc/25/61/40/152256140.db2.gz CYQBYCNTNZICRD-QGZVFWFLSA-N 2 2 349.563 3.268 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3CCC(C)(C)CC3)CC2)CC1 ZINC000120179340 152257845 /nfs/dbraw/zinc/25/78/45/152257845.db2.gz LXIKWXACHGUGPI-UHFFFAOYSA-N 2 2 349.563 3.268 20 0 EGADLP COc1cccc(CN(CC[NH+](C)C)c2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000189630476 153085197 /nfs/dbraw/zinc/08/51/97/153085197.db2.gz CVPZANAPTFXTSK-UHFFFAOYSA-N 2 2 340.471 3.239 20 0 EGADLP Cc1ccc(N2CCC([NH2+]Cc3nccn3-c3ccccc3)CC2)[nH+]c1 ZINC000191183937 153178376 /nfs/dbraw/zinc/17/83/76/153178376.db2.gz JAMJCXUXSPPMNS-UHFFFAOYSA-N 2 2 347.466 3.334 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000193158747 153280664 /nfs/dbraw/zinc/28/06/64/153280664.db2.gz AUISWZYTVULNSC-YLJYHZDGSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000193158747 153280670 /nfs/dbraw/zinc/28/06/70/153280670.db2.gz AUISWZYTVULNSC-YLJYHZDGSA-N 2 2 344.499 3.172 20 0 EGADLP CCCOc1cccc2c(NCC3CC[NH+](CCO)CC3)cc[nH+]c12 ZINC000194713894 153353294 /nfs/dbraw/zinc/35/32/94/153353294.db2.gz BKSZAQDBUDVZMV-UHFFFAOYSA-N 2 2 343.471 3.140 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCCC2)cc1 ZINC000154200951 286373286 /nfs/dbraw/zinc/37/32/86/286373286.db2.gz HAQUEIXPUHVVKD-QFUCXCTJSA-N 2 2 345.531 3.295 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCCC2)cc1 ZINC000154200951 286373290 /nfs/dbraw/zinc/37/32/90/286373290.db2.gz HAQUEIXPUHVVKD-QFUCXCTJSA-N 2 2 345.531 3.295 20 0 EGADLP C[C@@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305194897 154089652 /nfs/dbraw/zinc/08/96/52/154089652.db2.gz ZCYXPBVFNXQVGQ-MOPGFXCFSA-N 2 2 336.907 3.445 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000310244018 154141726 /nfs/dbraw/zinc/14/17/26/154141726.db2.gz CEWNSWIFOGEDRI-INIZCTEOSA-N 2 2 325.456 3.255 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000310244018 154141730 /nfs/dbraw/zinc/14/17/30/154141730.db2.gz CEWNSWIFOGEDRI-INIZCTEOSA-N 2 2 325.456 3.255 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281083 154258196 /nfs/dbraw/zinc/25/81/96/154258196.db2.gz VYRQYXYEPJQRDC-MSOLQXFVSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281083 154258198 /nfs/dbraw/zinc/25/81/98/154258198.db2.gz VYRQYXYEPJQRDC-MSOLQXFVSA-N 2 2 345.531 3.232 20 0 EGADLP O=c1ccccn1C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000337282811 154259431 /nfs/dbraw/zinc/25/94/31/154259431.db2.gz INBARYFLYQIPSW-LJQANCHMSA-N 2 2 344.418 3.027 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nn1C ZINC000337493056 154382200 /nfs/dbraw/zinc/38/22/00/154382200.db2.gz XGQPIEQWHGWPGN-DYESRHJHSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)nn1C ZINC000337493056 154382203 /nfs/dbraw/zinc/38/22/03/154382203.db2.gz XGQPIEQWHGWPGN-DYESRHJHSA-N 2 2 340.515 3.462 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@@H+]1Cc1ccccc1 ZINC000346833142 156156982 /nfs/dbraw/zinc/15/69/82/156156982.db2.gz SDKCZRQMRQHBNE-LPHOPBHVSA-N 2 2 334.467 3.358 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@H+]1Cc1ccccc1 ZINC000346833142 156156987 /nfs/dbraw/zinc/15/69/87/156156987.db2.gz SDKCZRQMRQHBNE-LPHOPBHVSA-N 2 2 334.467 3.358 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C[NH3+])C1 ZINC000346837610 156159145 /nfs/dbraw/zinc/15/91/45/156159145.db2.gz WPWPIFCBNYMLAF-ZWKOTPCHSA-N 2 2 341.455 3.120 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C[NH3+])C1 ZINC000346837610 156159147 /nfs/dbraw/zinc/15/91/47/156159147.db2.gz WPWPIFCBNYMLAF-ZWKOTPCHSA-N 2 2 341.455 3.120 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2c[nH+]c3ccc(Cl)cn23)o1 ZINC000349061300 156339901 /nfs/dbraw/zinc/33/99/01/156339901.db2.gz IMQFFFIQNINSCS-UHFFFAOYSA-N 2 2 346.862 3.453 20 0 EGADLP Clc1cccc(-c2noc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000109793887 162111707 /nfs/dbraw/zinc/11/17/07/162111707.db2.gz VAGJQYIQZUZVPH-UHFFFAOYSA-N 2 2 343.818 3.424 20 0 EGADLP C[C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114322211 162228287 /nfs/dbraw/zinc/22/82/87/162228287.db2.gz LTNYPNLXONATRD-QGZVFWFLSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129169029 162349183 /nfs/dbraw/zinc/34/91/83/162349183.db2.gz HGMLGTJHQQOYTO-HUUCEWRRSA-N 2 2 342.405 3.421 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129169029 162349186 /nfs/dbraw/zinc/34/91/86/162349186.db2.gz HGMLGTJHQQOYTO-HUUCEWRRSA-N 2 2 342.405 3.421 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)sc2c1 ZINC000248559524 163014766 /nfs/dbraw/zinc/01/47/66/163014766.db2.gz MEHWOHKNIWCTMN-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)sc2c1 ZINC000248559524 163014768 /nfs/dbraw/zinc/01/47/68/163014768.db2.gz MEHWOHKNIWCTMN-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)sc2c1 ZINC000248559524 163014770 /nfs/dbraw/zinc/01/47/70/163014770.db2.gz MEHWOHKNIWCTMN-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)sc2c1 ZINC000248559524 163014773 /nfs/dbraw/zinc/01/47/73/163014773.db2.gz MEHWOHKNIWCTMN-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000248771740 163034084 /nfs/dbraw/zinc/03/40/84/163034084.db2.gz SUIGKKZXDXTWQI-SJLPKXTDSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000248771740 163034087 /nfs/dbraw/zinc/03/40/87/163034087.db2.gz SUIGKKZXDXTWQI-SJLPKXTDSA-N 2 2 340.471 3.006 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000249112095 163056536 /nfs/dbraw/zinc/05/65/36/163056536.db2.gz REBVPPVNTNLFKP-FUHWJXTLSA-N 2 2 341.503 3.384 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000249112095 163056540 /nfs/dbraw/zinc/05/65/40/163056540.db2.gz REBVPPVNTNLFKP-FUHWJXTLSA-N 2 2 341.503 3.384 20 0 EGADLP O[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000305110264 163074571 /nfs/dbraw/zinc/07/45/71/163074571.db2.gz CQFKJQFKFOPMDI-QAPCUYQASA-N 2 2 336.907 3.445 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000354350631 166007294 /nfs/dbraw/zinc/00/72/94/166007294.db2.gz FZVSGHIGJMSYEU-QFIPXVFZSA-N 3 2 337.511 3.477 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c[nH+]1 ZINC000354350631 166007295 /nfs/dbraw/zinc/00/72/95/166007295.db2.gz FZVSGHIGJMSYEU-QFIPXVFZSA-N 3 2 337.511 3.477 20 0 EGADLP Fc1ccc(-n2nccc2C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000354350636 166007408 /nfs/dbraw/zinc/00/74/08/166007408.db2.gz GEDCEAHDPISAEW-UHFFFAOYSA-N 2 2 339.418 3.388 20 0 EGADLP C[C@H]1CC(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000338777402 163346497 /nfs/dbraw/zinc/34/64/97/163346497.db2.gz ZJWSWDFHYBEFDY-IRXDYDNUSA-N 2 2 331.504 3.229 20 0 EGADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000340255002 163523198 /nfs/dbraw/zinc/52/31/98/163523198.db2.gz FNFVVRNIKHPFCK-QGZVFWFLSA-N 2 2 327.428 3.411 20 0 EGADLP CN(CCC[N@H+](C)Cc1ccco1)c1[nH+]c2cccc(F)c2n1C ZINC000343816352 164042290 /nfs/dbraw/zinc/04/22/90/164042290.db2.gz SRSDQGPTDWHFAR-UHFFFAOYSA-N 2 2 330.407 3.264 20 0 EGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1[nH+]c2cccc(F)c2n1C ZINC000343816352 164042293 /nfs/dbraw/zinc/04/22/93/164042293.db2.gz SRSDQGPTDWHFAR-UHFFFAOYSA-N 2 2 330.407 3.264 20 0 EGADLP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000343872379 164054190 /nfs/dbraw/zinc/05/41/90/164054190.db2.gz RCNUKUOZRICRTQ-CQSZACIVSA-N 2 2 348.468 3.130 20 0 EGADLP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000343872379 164054193 /nfs/dbraw/zinc/05/41/93/164054193.db2.gz RCNUKUOZRICRTQ-CQSZACIVSA-N 2 2 348.468 3.130 20 0 EGADLP CN(CCC[N@H+](C)Cc1ncc(-c2ccccc2)s1)CC[NH+](C)C ZINC000344017997 164083459 /nfs/dbraw/zinc/08/34/59/164083459.db2.gz FIXOFIAHYDDLRG-UHFFFAOYSA-N 2 2 346.544 3.125 20 0 EGADLP CN(CCC[N@@H+](C)Cc1ncc(-c2ccccc2)s1)CC[NH+](C)C ZINC000344017997 164083461 /nfs/dbraw/zinc/08/34/61/164083461.db2.gz FIXOFIAHYDDLRG-UHFFFAOYSA-N 2 2 346.544 3.125 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346327802 164369368 /nfs/dbraw/zinc/36/93/68/164369368.db2.gz IQJLHJXSFVMRBE-UXHICEINSA-N 2 2 342.483 3.481 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346327802 164369370 /nfs/dbraw/zinc/36/93/70/164369370.db2.gz IQJLHJXSFVMRBE-UXHICEINSA-N 2 2 342.483 3.481 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748578 165068573 /nfs/dbraw/zinc/06/85/73/165068573.db2.gz QSEPLVKYEPRQMN-HZPDHXFCSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748578 165068577 /nfs/dbraw/zinc/06/85/77/165068577.db2.gz QSEPLVKYEPRQMN-HZPDHXFCSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748578 165068579 /nfs/dbraw/zinc/06/85/79/165068579.db2.gz QSEPLVKYEPRQMN-HZPDHXFCSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748578 165068582 /nfs/dbraw/zinc/06/85/82/165068582.db2.gz QSEPLVKYEPRQMN-HZPDHXFCSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H]1CN(Cc2c(F)cccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355027736 166088805 /nfs/dbraw/zinc/08/88/05/166088805.db2.gz DEDDDRKEUGAEGP-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2c(F)cccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355027736 166088806 /nfs/dbraw/zinc/08/88/06/166088806.db2.gz DEDDDRKEUGAEGP-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCCC4(CCC4)C3)CC2)cc1 ZINC000352405958 165385321 /nfs/dbraw/zinc/38/53/21/165385321.db2.gz KPAZCNBCUFGFTK-UHFFFAOYSA-N 2 2 327.516 3.465 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCCC4(CCC4)C3)CC2)cc1 ZINC000352405958 165385325 /nfs/dbraw/zinc/38/53/25/165385325.db2.gz KPAZCNBCUFGFTK-UHFFFAOYSA-N 2 2 327.516 3.465 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1nc2c(s1)CCC2 ZINC000355117127 166111693 /nfs/dbraw/zinc/11/16/93/166111693.db2.gz ILPPKXSADOFMCO-AWEZNQCLSA-N 2 2 342.512 3.342 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355220285 166138554 /nfs/dbraw/zinc/13/85/54/166138554.db2.gz KPHFRNJMQWZPJD-JLSDUUJJSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355220285 166138557 /nfs/dbraw/zinc/13/85/57/166138557.db2.gz KPHFRNJMQWZPJD-JLSDUUJJSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000355220285 166138560 /nfs/dbraw/zinc/13/85/60/166138560.db2.gz KPHFRNJMQWZPJD-JLSDUUJJSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000355220285 166138561 /nfs/dbraw/zinc/13/85/61/166138561.db2.gz KPHFRNJMQWZPJD-JLSDUUJJSA-N 2 2 347.528 3.443 20 0 EGADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C/C=C/c3ccncc3)C2)CC1 ZINC000355323706 166164295 /nfs/dbraw/zinc/16/42/95/166164295.db2.gz WUZVNDAPJRZBHN-OWOJBTEDSA-N 2 2 339.405 3.490 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000358388547 166850009 /nfs/dbraw/zinc/85/00/09/166850009.db2.gz ZRLJUGULMNKCNJ-LSDHHAIUSA-N 2 2 337.533 3.120 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358992918 167030978 /nfs/dbraw/zinc/03/09/78/167030978.db2.gz WTPORUWNOHTRMG-BEFAXECRSA-N 2 2 325.456 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358992918 167030980 /nfs/dbraw/zinc/03/09/80/167030980.db2.gz WTPORUWNOHTRMG-BEFAXECRSA-N 2 2 325.456 3.330 20 0 EGADLP COC1CCC(C)(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000359002813 167035455 /nfs/dbraw/zinc/03/54/55/167035455.db2.gz PQAPUSGBCCSTJT-PPXMBRMGSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000359002813 167035457 /nfs/dbraw/zinc/03/54/57/167035457.db2.gz PQAPUSGBCCSTJT-PPXMBRMGSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1ccsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000359312847 167122559 /nfs/dbraw/zinc/12/25/59/167122559.db2.gz OVVISPNJZHOGMI-FUHWJXTLSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000359312847 167122561 /nfs/dbraw/zinc/12/25/61/167122561.db2.gz OVVISPNJZHOGMI-FUHWJXTLSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000359331482 167128435 /nfs/dbraw/zinc/12/84/35/167128435.db2.gz PIEORWQPOGLUME-KRWDZBQOSA-N 2 2 340.471 3.175 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513323 167176058 /nfs/dbraw/zinc/17/60/58/167176058.db2.gz FBOHDQLSKVYENA-QAPCUYQASA-N 2 2 326.431 3.362 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513323 167176060 /nfs/dbraw/zinc/17/60/60/167176060.db2.gz FBOHDQLSKVYENA-QAPCUYQASA-N 2 2 326.431 3.362 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000359578384 167199042 /nfs/dbraw/zinc/19/90/42/167199042.db2.gz GURJLVRBWXLAKW-UHFFFAOYSA-N 2 2 342.443 3.152 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582746 167199370 /nfs/dbraw/zinc/19/93/70/167199370.db2.gz GYAANXZNIUZLNX-MAUKXSAKSA-N 2 2 332.492 3.351 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582746 167199372 /nfs/dbraw/zinc/19/93/72/167199372.db2.gz GYAANXZNIUZLNX-MAUKXSAKSA-N 2 2 332.492 3.351 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436617 168225156 /nfs/dbraw/zinc/22/51/56/168225156.db2.gz GNRYQWPDGKTMBY-HKUYNNGSSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436617 168225157 /nfs/dbraw/zinc/22/51/57/168225157.db2.gz GNRYQWPDGKTMBY-HKUYNNGSSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000367745400 168265749 /nfs/dbraw/zinc/26/57/49/168265749.db2.gz FBYYORIYCYATIK-VYDXJSESSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000367745400 168265750 /nfs/dbraw/zinc/26/57/50/168265750.db2.gz FBYYORIYCYATIK-VYDXJSESSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000367753077 168266427 /nfs/dbraw/zinc/26/64/27/168266427.db2.gz JURCPEAOBOCFCE-MRXNPFEDSA-N 2 2 331.504 3.444 20 0 EGADLP Cc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)ccc1F ZINC000158600982 225050275 /nfs/dbraw/zinc/05/02/75/225050275.db2.gz NSSOPIPWBOCWSG-NVXWUHKLSA-N 2 2 344.434 3.100 20 0 EGADLP Cc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)n2)ccc1F ZINC000158600982 225050278 /nfs/dbraw/zinc/05/02/78/225050278.db2.gz NSSOPIPWBOCWSG-NVXWUHKLSA-N 2 2 344.434 3.100 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000158600982 225050280 /nfs/dbraw/zinc/05/02/80/225050280.db2.gz NSSOPIPWBOCWSG-NVXWUHKLSA-N 2 2 344.434 3.100 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000158600982 225050284 /nfs/dbraw/zinc/05/02/84/225050284.db2.gz NSSOPIPWBOCWSG-NVXWUHKLSA-N 2 2 344.434 3.100 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000166774958 226169437 /nfs/dbraw/zinc/16/94/37/226169437.db2.gz HYRUGGCKDZHRAG-CABCVRRESA-N 2 2 335.517 3.346 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000166774958 226169440 /nfs/dbraw/zinc/16/94/40/226169440.db2.gz HYRUGGCKDZHRAG-CABCVRRESA-N 2 2 335.517 3.346 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171734478 227255694 /nfs/dbraw/zinc/25/56/94/227255694.db2.gz NRIPFYWCYSSOBV-CYBMUJFWSA-N 2 2 333.407 3.221 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177353230 265249200 /nfs/dbraw/zinc/24/92/00/265249200.db2.gz DMQQGCVWFCDACA-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177353230 265249201 /nfs/dbraw/zinc/24/92/01/265249201.db2.gz DMQQGCVWFCDACA-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP C=Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000194074089 266088875 /nfs/dbraw/zinc/08/88/75/266088875.db2.gz AFFYTQIMCHREJG-NHCUHLMSSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000194074089 266088877 /nfs/dbraw/zinc/08/88/77/266088877.db2.gz AFFYTQIMCHREJG-NHCUHLMSSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000194074089 266088880 /nfs/dbraw/zinc/08/88/80/266088880.db2.gz AFFYTQIMCHREJG-NHCUHLMSSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000194074089 266088882 /nfs/dbraw/zinc/08/88/82/266088882.db2.gz AFFYTQIMCHREJG-NHCUHLMSSA-N 2 2 336.483 3.470 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000236799582 266215605 /nfs/dbraw/zinc/21/56/05/266215605.db2.gz GKZOTFZDSGSWBI-LJQANCHMSA-N 2 2 328.456 3.393 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121757 266262302 /nfs/dbraw/zinc/26/23/02/266262302.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121757 266262303 /nfs/dbraw/zinc/26/23/03/266262303.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000250121757 266262306 /nfs/dbraw/zinc/26/23/06/266262306.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000250121757 266262309 /nfs/dbraw/zinc/26/23/09/266262309.db2.gz VKOYWZVIPGRYMP-RMVXJAJNSA-N 3 2 329.532 3.359 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268881093 266284321 /nfs/dbraw/zinc/28/43/21/266284321.db2.gz RLIFSJXVGHRZLO-UHFFFAOYSA-N 3 2 346.906 3.489 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000268881359 266284605 /nfs/dbraw/zinc/28/46/05/266284605.db2.gz FKVYVRTYYRSMJR-OLZOCXBDSA-N 2 2 335.883 3.220 20 0 EGADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268881526 266284722 /nfs/dbraw/zinc/28/47/22/266284722.db2.gz HZDQZVXITRTRCJ-MJGOQNOKSA-N 2 2 333.520 3.008 20 0 EGADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268881526 266284724 /nfs/dbraw/zinc/28/47/24/266284724.db2.gz HZDQZVXITRTRCJ-MJGOQNOKSA-N 2 2 333.520 3.008 20 0 EGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000269917143 266381976 /nfs/dbraw/zinc/38/19/76/266381976.db2.gz LMSHIKNZCGNCLR-FZKQIMNGSA-N 2 2 336.426 3.043 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271819463 266731339 /nfs/dbraw/zinc/73/13/39/266731339.db2.gz MRSWGETZTUGYFG-YJBOKZPZSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271819463 266731343 /nfs/dbraw/zinc/73/13/43/266731343.db2.gz MRSWGETZTUGYFG-YJBOKZPZSA-N 2 2 342.439 3.066 20 0 EGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452867 266846373 /nfs/dbraw/zinc/84/63/73/266846373.db2.gz PWSAHYUSUXWQDY-IFMALSPDSA-N 2 2 337.511 3.228 20 0 EGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452867 266846375 /nfs/dbraw/zinc/84/63/75/266846375.db2.gz PWSAHYUSUXWQDY-IFMALSPDSA-N 2 2 337.511 3.228 20 0 EGADLP Cc1ccc2c(C)cc(N[C@H](C)CCN3CC[NH+](C)CC3)[nH+]c2c1 ZINC000274516885 267250015 /nfs/dbraw/zinc/25/00/15/267250015.db2.gz VWPSRQYXLIPDFO-QGZVFWFLSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1ccc2c(C)cc(N[C@H](C)CC[NH+]3CCN(C)CC3)[nH+]c2c1 ZINC000274516885 267250017 /nfs/dbraw/zinc/25/00/17/267250017.db2.gz VWPSRQYXLIPDFO-QGZVFWFLSA-N 2 2 326.488 3.290 20 0 EGADLP CCO[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000272264447 275243646 /nfs/dbraw/zinc/24/36/46/275243646.db2.gz MHAVFEFQRSKWOW-QZTJIDSGSA-N 2 2 346.519 3.228 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000278767779 275273026 /nfs/dbraw/zinc/27/30/26/275273026.db2.gz XRZBZZLMMKGKLN-DLBZAZTESA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000278767779 275273028 /nfs/dbraw/zinc/27/30/28/275273028.db2.gz XRZBZZLMMKGKLN-DLBZAZTESA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784171 275274420 /nfs/dbraw/zinc/27/44/20/275274420.db2.gz ZQUUDRXXJNWYNT-AZUAARDMSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784171 275274423 /nfs/dbraw/zinc/27/44/23/275274423.db2.gz ZQUUDRXXJNWYNT-AZUAARDMSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccccn1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278784171 275274424 /nfs/dbraw/zinc/27/44/24/275274424.db2.gz ZQUUDRXXJNWYNT-AZUAARDMSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccccn1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278784171 275274426 /nfs/dbraw/zinc/27/44/26/275274426.db2.gz ZQUUDRXXJNWYNT-AZUAARDMSA-N 2 2 339.483 3.366 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279341543 275323985 /nfs/dbraw/zinc/32/39/85/275323985.db2.gz FHXZXHSTVMMEHV-UHFFFAOYSA-N 2 2 341.455 3.313 20 0 EGADLP Fc1cncc([C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C2CC2)c1 ZINC000281174164 275527850 /nfs/dbraw/zinc/52/78/50/275527850.db2.gz IBLDCDBJXTUBCZ-HXUWFJFHSA-N 2 2 340.446 3.321 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cn1 ZINC000281352942 275542622 /nfs/dbraw/zinc/54/26/22/275542622.db2.gz VNGVBFYVFVFVBJ-LJQANCHMSA-N 2 2 337.402 3.351 20 0 EGADLP CC(C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187746939 276018460 /nfs/dbraw/zinc/01/84/60/276018460.db2.gz HNSUPDXRZJYHGR-ZWKOTPCHSA-N 2 2 330.451 3.348 20 0 EGADLP CC[C@@H](Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1[nH+]ccn1C ZINC000287015698 276071159 /nfs/dbraw/zinc/07/11/59/276071159.db2.gz KWLFXNNCSPOUBF-QGZVFWFLSA-N 2 2 343.475 3.264 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000287183025 276093572 /nfs/dbraw/zinc/09/35/72/276093572.db2.gz VHQXZCWCHBHYAX-FQEVSTJZSA-N 2 2 333.520 3.150 20 0 EGADLP CN(C)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000287197579 276095340 /nfs/dbraw/zinc/09/53/40/276095340.db2.gz WECYYNMTEVOLJT-LJQANCHMSA-N 2 2 342.462 3.082 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000287674448 276146091 /nfs/dbraw/zinc/14/60/91/276146091.db2.gz XVEWMJLGLQUYFQ-MRXNPFEDSA-N 2 2 330.407 3.262 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000287720474 276150733 /nfs/dbraw/zinc/15/07/33/276150733.db2.gz OPNHEMFJMDQOKY-JYJNAYRXSA-N 2 2 330.394 3.297 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c(F)cn1 ZINC000287731737 276151687 /nfs/dbraw/zinc/15/16/87/276151687.db2.gz PEZULFZKXJKSAT-GFCCVEGCSA-N 2 2 328.391 3.238 20 0 EGADLP Clc1cccc2c(N3CC[NH+](C4CCOCC4)CC3)cc[nH+]c12 ZINC000288453737 276215788 /nfs/dbraw/zinc/21/57/88/276215788.db2.gz PPKDVJUWDRSUSM-UHFFFAOYSA-N 2 2 331.847 3.189 20 0 EGADLP COc1cncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000289401144 276333439 /nfs/dbraw/zinc/33/34/39/276333439.db2.gz LBQHNQAQEKCWRW-UHFFFAOYSA-N 2 2 326.444 3.003 20 0 EGADLP Cc1ccc([C@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000289430281 276338154 /nfs/dbraw/zinc/33/81/54/276338154.db2.gz RUJJXVIQXNSKAN-LJQANCHMSA-N 2 2 326.440 3.275 20 0 EGADLP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289580638 276361077 /nfs/dbraw/zinc/36/10/77/276361077.db2.gz JYTQQOQUMFRDIF-JJTKIYQPSA-N 2 2 328.435 3.068 20 0 EGADLP C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289580638 276361078 /nfs/dbraw/zinc/36/10/78/276361078.db2.gz JYTQQOQUMFRDIF-JJTKIYQPSA-N 2 2 328.435 3.068 20 0 EGADLP C[NH+](Cc1ccnn1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289580638 276361080 /nfs/dbraw/zinc/36/10/80/276361080.db2.gz JYTQQOQUMFRDIF-JJTKIYQPSA-N 2 2 328.435 3.068 20 0 EGADLP C[NH+](Cc1ccnn1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289580638 276361081 /nfs/dbraw/zinc/36/10/81/276361081.db2.gz JYTQQOQUMFRDIF-JJTKIYQPSA-N 2 2 328.435 3.068 20 0 EGADLP COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1OC(F)F ZINC000289747135 276387400 /nfs/dbraw/zinc/38/74/00/276387400.db2.gz QLRTUYAPVGTWJH-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1OC(F)F ZINC000289747135 276387401 /nfs/dbraw/zinc/38/74/01/276387401.db2.gz QLRTUYAPVGTWJH-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1OC(F)F ZINC000289747135 276387402 /nfs/dbraw/zinc/38/74/02/276387402.db2.gz QLRTUYAPVGTWJH-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC(F)F ZINC000289747135 276387403 /nfs/dbraw/zinc/38/74/03/276387403.db2.gz QLRTUYAPVGTWJH-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000290355162 276484341 /nfs/dbraw/zinc/48/43/41/276484341.db2.gz JBRNLLFNENXSRE-WMLDXEAASA-N 2 2 326.444 3.023 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000290355158 276484415 /nfs/dbraw/zinc/48/44/15/276484415.db2.gz JBRNLLFNENXSRE-PBHICJAKSA-N 2 2 326.444 3.023 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000290765007 276538459 /nfs/dbraw/zinc/53/84/59/276538459.db2.gz RURYCHPDMSFMCG-UHFFFAOYSA-N 2 2 341.459 3.110 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000346993934 277283289 /nfs/dbraw/zinc/28/32/89/277283289.db2.gz BJCAEYRCGPYUHT-GFCCVEGCSA-N 2 2 340.393 3.024 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000346993934 277283290 /nfs/dbraw/zinc/28/32/90/277283290.db2.gz BJCAEYRCGPYUHT-GFCCVEGCSA-N 2 2 340.393 3.024 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cncc(F)c1 ZINC000090667145 278336179 /nfs/dbraw/zinc/33/61/79/278336179.db2.gz VNFIUUBUUHCFMJ-CABCVRRESA-N 2 2 328.435 3.492 20 0 EGADLP CCN(CC)C(=O)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000173618042 279075299 /nfs/dbraw/zinc/07/52/99/279075299.db2.gz ALKOBYPDKZUQLP-IBGZPJMESA-N 2 2 331.504 3.059 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611698 279315507 /nfs/dbraw/zinc/31/55/07/279315507.db2.gz RLHRWANUOVKAPQ-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611698 279315508 /nfs/dbraw/zinc/31/55/08/279315508.db2.gz RLHRWANUOVKAPQ-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611698 279315510 /nfs/dbraw/zinc/31/55/10/279315510.db2.gz RLHRWANUOVKAPQ-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611698 279315511 /nfs/dbraw/zinc/31/55/11/279315511.db2.gz RLHRWANUOVKAPQ-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000342090767 280393510 /nfs/dbraw/zinc/39/35/10/280393510.db2.gz BWOYFHYVWNQXNE-LJIGWXMPSA-N 2 2 349.906 3.343 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000342090767 280393512 /nfs/dbraw/zinc/39/35/12/280393512.db2.gz BWOYFHYVWNQXNE-LJIGWXMPSA-N 2 2 349.906 3.343 20 0 EGADLP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000347857989 282039370 /nfs/dbraw/zinc/03/93/70/282039370.db2.gz PNERUOBJSQOOBH-CQSZACIVSA-N 2 2 336.530 3.479 20 0 EGADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000347857989 282039373 /nfs/dbraw/zinc/03/93/73/282039373.db2.gz PNERUOBJSQOOBH-CQSZACIVSA-N 2 2 336.530 3.479 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cccs1 ZINC000345305329 290001313 /nfs/dbraw/zinc/00/13/13/290001313.db2.gz PKXCLEBSVCRHHK-WPKBUWHJSA-N 2 2 344.484 3.027 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361346243 301212673 /nfs/dbraw/zinc/21/26/73/301212673.db2.gz NARRVBLLQMCWGN-AZUAARDMSA-N 2 2 346.515 3.200 20 0 EGADLP Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000078559563 307419904 /nfs/dbraw/zinc/41/99/04/307419904.db2.gz DSEJNYSPAMRVOR-HOTGVXAUSA-N 2 2 339.439 3.252 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414079462 309059539 /nfs/dbraw/zinc/05/95/39/309059539.db2.gz CGEDGLVGAISLLB-DLBZAZTESA-N 2 2 340.552 3.448 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414115997 309061823 /nfs/dbraw/zinc/06/18/23/309061823.db2.gz VSHHVZYHKDGUPP-LNLFQRSKSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414115997 309061824 /nfs/dbraw/zinc/06/18/24/309061824.db2.gz VSHHVZYHKDGUPP-LNLFQRSKSA-N 2 2 338.499 3.391 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000132145555 307654454 /nfs/dbraw/zinc/65/44/54/307654454.db2.gz VRYXLJSBLRZAEF-CYBMUJFWSA-N 2 2 349.910 3.468 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000414127307 309062569 /nfs/dbraw/zinc/06/25/69/309062569.db2.gz FVBXBKNHCLSSKP-TWOQFEAHSA-N 2 2 327.472 3.302 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000158940951 307865945 /nfs/dbraw/zinc/86/59/45/307865945.db2.gz DEFMWEDQXWQYGD-HIFRSBDPSA-N 2 2 328.859 3.223 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C1 ZINC000414317044 309072514 /nfs/dbraw/zinc/07/25/14/309072514.db2.gz VHFQWBBYKUHLRO-PBEJRMEISA-N 2 2 342.458 3.327 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C1 ZINC000414317044 309072515 /nfs/dbraw/zinc/07/25/15/309072515.db2.gz VHFQWBBYKUHLRO-PBEJRMEISA-N 2 2 342.458 3.327 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(OCC2CC2)c(F)c1 ZINC000414380557 309076551 /nfs/dbraw/zinc/07/65/51/309076551.db2.gz OQAJUNVBGQWDQJ-ZDUSSCGKSA-N 2 2 346.450 3.265 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1 ZINC000414383590 309076830 /nfs/dbraw/zinc/07/68/30/309076830.db2.gz AJIMDIYOBZAFAX-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1 ZINC000414383590 309076831 /nfs/dbraw/zinc/07/68/31/309076831.db2.gz AJIMDIYOBZAFAX-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nn1 ZINC000414383590 309076832 /nfs/dbraw/zinc/07/68/32/309076832.db2.gz AJIMDIYOBZAFAX-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nn1 ZINC000414383590 309076833 /nfs/dbraw/zinc/07/68/33/309076833.db2.gz AJIMDIYOBZAFAX-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248634875 308007925 /nfs/dbraw/zinc/00/79/25/308007925.db2.gz JYMNZCXADSFKDO-LVCYWYKZSA-N 2 2 345.531 3.449 20 0 EGADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nn1 ZINC000414436309 309079961 /nfs/dbraw/zinc/07/99/61/309079961.db2.gz AAVILJUZJRGWHR-UHFFFAOYSA-N 2 2 341.846 3.337 20 0 EGADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)nn1 ZINC000414436309 309079962 /nfs/dbraw/zinc/07/99/62/309079962.db2.gz AAVILJUZJRGWHR-UHFFFAOYSA-N 2 2 341.846 3.337 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000414441617 309080181 /nfs/dbraw/zinc/08/01/81/309080181.db2.gz JSGRUFQQQRMKJH-KUHUBIRLSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000414441617 309080182 /nfs/dbraw/zinc/08/01/82/309080182.db2.gz JSGRUFQQQRMKJH-KUHUBIRLSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000414441617 309080183 /nfs/dbraw/zinc/08/01/83/309080183.db2.gz JSGRUFQQQRMKJH-KUHUBIRLSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000414441617 309080184 /nfs/dbraw/zinc/08/01/84/309080184.db2.gz JSGRUFQQQRMKJH-KUHUBIRLSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CS[C@@H](C)C3)c[nH+]c12 ZINC000414498940 309084731 /nfs/dbraw/zinc/08/47/31/309084731.db2.gz NUBVSUKORYKJGL-CMPLNLGQSA-N 2 2 340.290 3.389 20 0 EGADLP Fc1ccccc1N1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000293389690 308126262 /nfs/dbraw/zinc/12/62/62/308126262.db2.gz IVDXUQLXVINFKS-QGZVFWFLSA-N 2 2 340.446 3.058 20 0 EGADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000293595459 308145298 /nfs/dbraw/zinc/14/52/98/308145298.db2.gz ONUPNVSDAHAUAN-RTBURBONSA-N 2 2 330.497 3.029 20 0 EGADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000293595459 308145299 /nfs/dbraw/zinc/14/52/99/308145299.db2.gz ONUPNVSDAHAUAN-RTBURBONSA-N 2 2 330.497 3.029 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)n1-c1ccccc1 ZINC000414517875 309085948 /nfs/dbraw/zinc/08/59/48/309085948.db2.gz ACWNQYSVLRTIEJ-QGZVFWFLSA-N 2 2 339.414 3.186 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295198697 308302066 /nfs/dbraw/zinc/30/20/66/308302066.db2.gz YGZZCVWWASSUPG-WMLDXEAASA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295198697 308302067 /nfs/dbraw/zinc/30/20/67/308302067.db2.gz YGZZCVWWASSUPG-WMLDXEAASA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@H+](Cc1cc(OC)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000414717255 309097276 /nfs/dbraw/zinc/09/72/76/309097276.db2.gz PMAXGZCZJXIWIU-AWEZNQCLSA-N 2 2 341.293 3.422 20 0 EGADLP CC[N@@H+](Cc1cc(OC)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000414717255 309097277 /nfs/dbraw/zinc/09/72/77/309097277.db2.gz PMAXGZCZJXIWIU-AWEZNQCLSA-N 2 2 341.293 3.422 20 0 EGADLP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000296608322 308446941 /nfs/dbraw/zinc/44/69/41/308446941.db2.gz WXEUAJOFXXXZRU-HNNXBMFYSA-N 2 2 341.459 3.035 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H](C[NH3+])C1 ZINC000414766473 309099489 /nfs/dbraw/zinc/09/94/89/309099489.db2.gz HQEJUQZMNNCKTK-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H](C[NH3+])C1 ZINC000414766473 309099490 /nfs/dbraw/zinc/09/94/90/309099490.db2.gz HQEJUQZMNNCKTK-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP COc1cc2[nH+]ccc(N3CCC(n4cc[nH+]c4)CC3)c2cc1OC ZINC000298425964 308613315 /nfs/dbraw/zinc/61/33/15/308613315.db2.gz WWBOFXCRUHGLES-UHFFFAOYSA-N 2 2 338.411 3.290 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000299644784 308682934 /nfs/dbraw/zinc/68/29/34/308682934.db2.gz JKRQDPHNSAIIJJ-UHFFFAOYSA-N 2 2 326.444 3.144 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2nc(C(F)F)nc3ccccc32)CC1 ZINC000301525317 308703822 /nfs/dbraw/zinc/70/38/22/308703822.db2.gz IQNRLOULSDFLNM-UHFFFAOYSA-N 2 2 349.429 3.005 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CCCCC1 ZINC000414839880 309104853 /nfs/dbraw/zinc/10/48/53/309104853.db2.gz JVAKNCSCPNKXBR-UHFFFAOYSA-N 2 2 345.468 3.290 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3cccc(F)c3)CC2)c2c([nH+]1)CCCC2 ZINC000302066358 308727879 /nfs/dbraw/zinc/72/78/79/308727879.db2.gz CVHNWAYWEDFMSP-UHFFFAOYSA-N 2 2 340.446 3.125 20 0 EGADLP COCc1cc(NCCCC[N@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000413344419 309027899 /nfs/dbraw/zinc/02/78/99/309027899.db2.gz CRYOHBHIYJFXSM-UHFFFAOYSA-N 2 2 331.435 3.229 20 0 EGADLP COCc1cc(NCCCC[N@@H+](C)C2CC2)c2cc(F)ccc2[nH+]1 ZINC000413344419 309027900 /nfs/dbraw/zinc/02/79/00/309027900.db2.gz CRYOHBHIYJFXSM-UHFFFAOYSA-N 2 2 331.435 3.229 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)cs2)cc1 ZINC000414928375 309109652 /nfs/dbraw/zinc/10/96/52/309109652.db2.gz AWVCYNSZJXDYSP-LSDHHAIUSA-N 2 2 331.485 3.261 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c(-c2ccnn2C)c1 ZINC000414952559 309111100 /nfs/dbraw/zinc/11/11/00/309111100.db2.gz IOMDLVWBBNWHMV-OAQYLSRUSA-N 2 2 346.478 3.372 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000414956037 309111371 /nfs/dbraw/zinc/11/13/71/309111371.db2.gz MUVMSQLYLLQJHU-FXAWDEMLSA-N 2 2 345.437 3.336 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c[nH+]1 ZINC000414956037 309111372 /nfs/dbraw/zinc/11/13/72/309111372.db2.gz MUVMSQLYLLQJHU-FXAWDEMLSA-N 3 2 345.437 3.336 20 0 EGADLP COc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414956801 309111529 /nfs/dbraw/zinc/11/15/29/309111529.db2.gz VQRVZOPFGOZLIL-QAPCUYQASA-N 2 2 332.394 3.209 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415034754 309115565 /nfs/dbraw/zinc/11/55/65/309115565.db2.gz DAHFVDYIKSAGLW-AWEZNQCLSA-N 2 2 327.266 3.065 20 0 EGADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415037398 309115758 /nfs/dbraw/zinc/11/57/58/309115758.db2.gz LBKKUYRXPSJVIU-AWEZNQCLSA-N 2 2 343.452 3.024 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415040574 309116122 /nfs/dbraw/zinc/11/61/22/309116122.db2.gz KFJHXVGIZYGBFV-XJKSGUPXSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415040574 309116123 /nfs/dbraw/zinc/11/61/23/309116123.db2.gz KFJHXVGIZYGBFV-XJKSGUPXSA-N 2 2 332.879 3.191 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415064697 309117916 /nfs/dbraw/zinc/11/79/16/309117916.db2.gz LDAFPKXVWDYJEO-KUHUBIRLSA-N 2 2 343.446 3.395 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2NCC3)CC1 ZINC000415078575 309118737 /nfs/dbraw/zinc/11/87/37/309118737.db2.gz GOZKAXNUDZCRST-INIZCTEOSA-N 2 2 336.483 3.365 20 0 EGADLP FC(F)(F)c1cccc(C[NH+]2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415096325 309120007 /nfs/dbraw/zinc/12/00/07/309120007.db2.gz BCYGLADNHCSAQD-KRWDZBQOSA-N 2 2 341.421 3.011 20 0 EGADLP FC(F)(F)c1cccc(CN2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415096325 309120008 /nfs/dbraw/zinc/12/00/08/309120008.db2.gz BCYGLADNHCSAQD-KRWDZBQOSA-N 2 2 341.421 3.011 20 0 EGADLP C[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000415131475 309122722 /nfs/dbraw/zinc/12/27/22/309122722.db2.gz SIKCFFACHQQKFA-GJZGRUSLSA-N 2 2 331.485 3.139 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000415131475 309122723 /nfs/dbraw/zinc/12/27/23/309122723.db2.gz SIKCFFACHQQKFA-GJZGRUSLSA-N 2 2 331.485 3.139 20 0 EGADLP [NH3+]C1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133781 309122837 /nfs/dbraw/zinc/12/28/37/309122837.db2.gz NOXBCBCJJOHVNN-VXKWHMMOSA-N 3 2 349.522 3.373 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000415137275 309123165 /nfs/dbraw/zinc/12/31/65/309123165.db2.gz STBFJCXAPZCZHH-UHFFFAOYSA-N 2 2 333.863 3.355 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000415137275 309123166 /nfs/dbraw/zinc/12/31/66/309123166.db2.gz STBFJCXAPZCZHH-UHFFFAOYSA-N 2 2 333.863 3.355 20 0 EGADLP C[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C[NH3+])C1 ZINC000415184771 309125260 /nfs/dbraw/zinc/12/52/60/309125260.db2.gz KHEDYJMMCMKARE-GOEBONIOSA-N 2 2 340.427 3.465 20 0 EGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784319 309222099 /nfs/dbraw/zinc/22/20/99/309222099.db2.gz CEXJBXHTSNBFLF-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784319 309222100 /nfs/dbraw/zinc/22/21/00/309222100.db2.gz CEXJBXHTSNBFLF-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784319 309222101 /nfs/dbraw/zinc/22/21/01/309222101.db2.gz CEXJBXHTSNBFLF-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784319 309222102 /nfs/dbraw/zinc/22/21/02/309222102.db2.gz CEXJBXHTSNBFLF-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420314184 309281577 /nfs/dbraw/zinc/28/15/77/309281577.db2.gz VHJFSXBMYOPEIF-RBBKRZOGSA-N 2 2 349.478 3.360 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420314184 309281578 /nfs/dbraw/zinc/28/15/78/309281578.db2.gz VHJFSXBMYOPEIF-RBBKRZOGSA-N 2 2 349.478 3.360 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420321921 309281958 /nfs/dbraw/zinc/28/19/58/309281958.db2.gz WCFDOBKYVRDQOM-ICSRJNTNSA-N 2 2 341.430 3.176 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420321921 309281959 /nfs/dbraw/zinc/28/19/59/309281959.db2.gz WCFDOBKYVRDQOM-ICSRJNTNSA-N 2 2 341.430 3.176 20 0 EGADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)cc1 ZINC000420322944 309281963 /nfs/dbraw/zinc/28/19/63/309281963.db2.gz SWCSOVNRWBZSNK-GOSISDBHSA-N 2 2 347.484 3.060 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420324108 309282448 /nfs/dbraw/zinc/28/24/48/309282448.db2.gz ZAMNSEVAMFBZDF-KRWDZBQOSA-N 2 2 330.863 3.275 20 0 EGADLP Cc1cc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420324108 309282449 /nfs/dbraw/zinc/28/24/49/309282449.db2.gz ZAMNSEVAMFBZDF-KRWDZBQOSA-N 2 2 330.863 3.275 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])n2)cc1F ZINC000420335565 309283039 /nfs/dbraw/zinc/28/30/39/309283039.db2.gz LQFSDHJBNNKKSS-CZUORRHYSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C)C[C@@H]3C[NH3+])n2)cc1F ZINC000420335565 309283040 /nfs/dbraw/zinc/28/30/40/309283040.db2.gz LQFSDHJBNNKKSS-CZUORRHYSA-N 2 2 346.450 3.176 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000420341037 309283218 /nfs/dbraw/zinc/28/32/18/309283218.db2.gz PSLKZVGXASLAHR-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000420341037 309283219 /nfs/dbraw/zinc/28/32/19/309283219.db2.gz PSLKZVGXASLAHR-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000420341035 309283253 /nfs/dbraw/zinc/28/32/53/309283253.db2.gz PSLKZVGXASLAHR-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000420341035 309283254 /nfs/dbraw/zinc/28/32/54/309283254.db2.gz PSLKZVGXASLAHR-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)C2CC([NH3+])C2)on1 ZINC000420344807 309283345 /nfs/dbraw/zinc/28/33/45/309283345.db2.gz YLGDOEFLXCRNKX-UHFFFAOYSA-N 2 2 337.423 3.425 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)C2CC([NH3+])C2)on1 ZINC000420344807 309283346 /nfs/dbraw/zinc/28/33/46/309283346.db2.gz YLGDOEFLXCRNKX-UHFFFAOYSA-N 2 2 337.423 3.425 20 0 EGADLP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1[NH3+] ZINC000420358995 309284079 /nfs/dbraw/zinc/28/40/79/309284079.db2.gz FLFUEKLMMAIDPW-NVXWUHKLSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1[NH3+] ZINC000420358995 309284080 /nfs/dbraw/zinc/28/40/80/309284080.db2.gz FLFUEKLMMAIDPW-NVXWUHKLSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420358669 309284139 /nfs/dbraw/zinc/28/41/39/309284139.db2.gz FSQPQJADNGFWQF-XLMAVXFVSA-N 2 2 331.504 3.422 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000420362934 309284360 /nfs/dbraw/zinc/28/43/60/309284360.db2.gz NIJCZKUIVOIBEK-GOSISDBHSA-N 2 2 341.455 3.380 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000420366374 309284364 /nfs/dbraw/zinc/28/43/64/309284364.db2.gz UHIXFECGROFDKG-UHFFFAOYSA-N 2 2 334.851 3.296 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000420370629 309284852 /nfs/dbraw/zinc/28/48/52/309284852.db2.gz JYUYACNKJMZWNW-KRWDZBQOSA-N 2 2 336.439 3.337 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420391505 309286029 /nfs/dbraw/zinc/28/60/29/309286029.db2.gz IMOPORSKGRTJOK-KSSFIOAISA-N 2 2 346.425 3.115 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420391505 309286030 /nfs/dbraw/zinc/28/60/30/309286030.db2.gz IMOPORSKGRTJOK-KSSFIOAISA-N 2 2 346.425 3.115 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000420393631 309286093 /nfs/dbraw/zinc/28/60/93/309286093.db2.gz YGBVEQJSNFSGDG-MRXNPFEDSA-N 2 2 325.456 3.222 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000420393631 309286094 /nfs/dbraw/zinc/28/60/94/309286094.db2.gz YGBVEQJSNFSGDG-MRXNPFEDSA-N 2 2 325.456 3.222 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000420394347 309286143 /nfs/dbraw/zinc/28/61/43/309286143.db2.gz ZZDORILKEJEUAP-INIZCTEOSA-N 2 2 341.455 3.347 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000420394347 309286144 /nfs/dbraw/zinc/28/61/44/309286144.db2.gz ZZDORILKEJEUAP-INIZCTEOSA-N 2 2 341.455 3.347 20 0 EGADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]CC[NH3+] ZINC000420396451 309286332 /nfs/dbraw/zinc/28/63/32/309286332.db2.gz FGCHCDROYMRFOW-SECBINFHSA-N 2 2 340.290 3.490 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420401843 309286589 /nfs/dbraw/zinc/28/65/89/309286589.db2.gz JOCMYXAXRAOFCZ-KGLIPLIRSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420401843 309286590 /nfs/dbraw/zinc/28/65/90/309286590.db2.gz JOCMYXAXRAOFCZ-KGLIPLIRSA-N 2 2 331.485 3.235 20 0 EGADLP C[NH2+]CCCN[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420406047 309286677 /nfs/dbraw/zinc/28/66/77/309286677.db2.gz NJFYNUFPQZAWOM-DLBZAZTESA-N 2 2 327.875 3.202 20 0 EGADLP C[NH2+]CCCN[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420406047 309286678 /nfs/dbraw/zinc/28/66/78/309286678.db2.gz NJFYNUFPQZAWOM-DLBZAZTESA-N 2 2 327.875 3.202 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000420778949 309294294 /nfs/dbraw/zinc/29/42/94/309294294.db2.gz KARZPQPEUPIOTC-OAHLLOKOSA-N 2 2 332.492 3.010 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000420778949 309294295 /nfs/dbraw/zinc/29/42/95/309294295.db2.gz KARZPQPEUPIOTC-OAHLLOKOSA-N 2 2 332.492 3.010 20 0 EGADLP FC(F)(F)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420897326 309299822 /nfs/dbraw/zinc/29/98/22/309299822.db2.gz CJHWPQIQDPRNIY-KRWDZBQOSA-N 2 2 342.405 3.293 20 0 EGADLP FC(F)(F)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420897326 309299823 /nfs/dbraw/zinc/29/98/23/309299823.db2.gz CJHWPQIQDPRNIY-KRWDZBQOSA-N 2 2 342.405 3.293 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000420902302 309300108 /nfs/dbraw/zinc/30/01/08/309300108.db2.gz MRHBHMOIPSJGGO-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000420902302 309300109 /nfs/dbraw/zinc/30/01/09/309300109.db2.gz MRHBHMOIPSJGGO-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420941308 309302744 /nfs/dbraw/zinc/30/27/44/309302744.db2.gz SQWSHWVTLNUYEE-NRFANRHFSA-N 2 2 339.483 3.194 20 0 EGADLP Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420941308 309302745 /nfs/dbraw/zinc/30/27/45/309302745.db2.gz SQWSHWVTLNUYEE-NRFANRHFSA-N 2 2 339.483 3.194 20 0 EGADLP CC(C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccnc1 ZINC000420946873 309303220 /nfs/dbraw/zinc/30/32/20/309303220.db2.gz OCWWRXQOWRSIRV-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccnc1 ZINC000420946873 309303221 /nfs/dbraw/zinc/30/32/21/309303221.db2.gz OCWWRXQOWRSIRV-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957625 309304239 /nfs/dbraw/zinc/30/42/39/309304239.db2.gz DBCNRLCXVGIVCB-PBHICJAKSA-N 2 2 342.405 3.292 20 0 EGADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957625 309304240 /nfs/dbraw/zinc/30/42/40/309304240.db2.gz DBCNRLCXVGIVCB-PBHICJAKSA-N 2 2 342.405 3.292 20 0 EGADLP Cc1cc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000421581424 309330658 /nfs/dbraw/zinc/33/06/58/309330658.db2.gz YSPWMHHCNDNKNR-QGZVFWFLSA-N 2 2 331.847 3.271 20 0 EGADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000421709199 309336142 /nfs/dbraw/zinc/33/61/42/309336142.db2.gz DAPAMDCVQBUGOO-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000421709199 309336143 /nfs/dbraw/zinc/33/61/43/309336143.db2.gz DAPAMDCVQBUGOO-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000421819726 309341448 /nfs/dbraw/zinc/34/14/48/309341448.db2.gz IPWROMFHGFXHCG-QGZVFWFLSA-N 2 2 331.504 3.373 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cccnc3CC2)Cc2ccccc2C1 ZINC000421828051 309341979 /nfs/dbraw/zinc/34/19/79/309341979.db2.gz ATTIBLNZLYMROO-HXUWFJFHSA-N 2 2 335.495 3.018 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccncc1Cl ZINC000421842335 309342784 /nfs/dbraw/zinc/34/27/84/309342784.db2.gz KSSFBHWSYIAOCN-DOPJRALCSA-N 2 2 337.895 3.154 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805187 309369466 /nfs/dbraw/zinc/36/94/66/309369466.db2.gz IREVOFCQRPNANA-YPAWHYETSA-N 3 2 341.543 3.335 20 0 EGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422805187 309369467 /nfs/dbraw/zinc/36/94/67/309369467.db2.gz IREVOFCQRPNANA-YPAWHYETSA-N 3 2 341.543 3.335 20 0 EGADLP C[C@@H](NCc1[nH+]ccn1CCCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422827940 309370480 /nfs/dbraw/zinc/37/04/80/309370480.db2.gz FLDRJGDAEXEGML-IEBWSBKVSA-N 2 2 326.488 3.136 20 0 EGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000422831039 309370717 /nfs/dbraw/zinc/37/07/17/309370717.db2.gz SDLMYLJNMURVER-XLIONFOSSA-N 3 2 326.488 3.332 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000422838420 309371086 /nfs/dbraw/zinc/37/10/86/309371086.db2.gz XHMXUHIKVYDHRI-WIYYLYMNSA-N 2 2 348.494 3.174 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838420 309371087 /nfs/dbraw/zinc/37/10/87/309371087.db2.gz XHMXUHIKVYDHRI-WIYYLYMNSA-N 2 2 348.494 3.174 20 0 EGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422858275 309372342 /nfs/dbraw/zinc/37/23/42/309372342.db2.gz IGLHEEPAYOZKBE-LALPHHSUSA-N 2 2 331.287 3.281 20 0 EGADLP C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000422942565 309377358 /nfs/dbraw/zinc/37/73/58/309377358.db2.gz JFSAWZDEHYEHNH-CABZTGNLSA-N 2 2 349.219 3.281 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423042536 309382565 /nfs/dbraw/zinc/38/25/65/309382565.db2.gz LDYGFDDTJIUCGL-IGCXYCKISA-N 2 2 325.859 3.178 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423064168 309383865 /nfs/dbraw/zinc/38/38/65/309383865.db2.gz QRJMVJLJNCXWOI-LSDHHAIUSA-N 2 2 326.831 3.461 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423073139 309384547 /nfs/dbraw/zinc/38/45/47/309384547.db2.gz KPRIEHBBDBYNGY-SGMGOOAPSA-N 2 2 332.366 3.003 20 0 EGADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423104661 309386044 /nfs/dbraw/zinc/38/60/44/309386044.db2.gz MKCITBHHMMIURL-FASAQXTFSA-N 2 2 344.480 3.276 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423107295 309386211 /nfs/dbraw/zinc/38/62/11/309386211.db2.gz KNXUSCUJHFNQMC-OTYXRUKQSA-N 2 2 333.220 3.205 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423111384 309386511 /nfs/dbraw/zinc/38/65/11/309386511.db2.gz WLIWNPIEOBTNAA-GALLPEHLSA-N 2 2 326.843 3.082 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423124969 309387136 /nfs/dbraw/zinc/38/71/36/309387136.db2.gz POOBLOQVDVRWSF-GVXVVHGQSA-N 2 2 345.256 3.006 20 0 EGADLP FC(F)(F)[C@H](CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423133909 309387662 /nfs/dbraw/zinc/38/76/62/309387662.db2.gz LIQMGTUSFBRFFG-IXDOHACOSA-N 2 2 342.405 3.079 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423196940 309390105 /nfs/dbraw/zinc/39/01/05/309390105.db2.gz WYURAQKTHPIDOR-UWVGGRQHSA-N 2 2 336.329 3.292 20 0 EGADLP COCCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423235922 309391920 /nfs/dbraw/zinc/39/19/20/309391920.db2.gz NQNIWPXGJQBJTN-HZPDHXFCSA-N 2 2 341.293 3.258 20 0 EGADLP COc1ccc(C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccc(OC)cc2)cc1 ZINC000423242426 309391985 /nfs/dbraw/zinc/39/19/85/309391985.db2.gz VPMYGANTXGQFAC-WIYYLYMNSA-N 2 2 340.467 3.329 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000423253209 309392401 /nfs/dbraw/zinc/39/24/01/309392401.db2.gz YQBJUKJBJAXUMC-MOPGFXCFSA-N 2 2 335.455 3.307 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423264652 309392966 /nfs/dbraw/zinc/39/29/66/309392966.db2.gz AMYOJLMYXONFHP-INIZCTEOSA-N 2 2 347.503 3.314 20 0 EGADLP [NH3+][C@@H](C[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1)C1CC1 ZINC000423316729 309394899 /nfs/dbraw/zinc/39/48/99/309394899.db2.gz JZYFVXDQNTXYBZ-LSDHHAIUSA-N 2 2 327.241 3.366 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000423328575 309395474 /nfs/dbraw/zinc/39/54/74/309395474.db2.gz KWBLVGNKGCZLIN-UFYCRDLUSA-N 2 2 325.456 3.277 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423328522 309395513 /nfs/dbraw/zinc/39/55/13/309395513.db2.gz KSHULAXXLTYOTH-LBPRGKRZSA-N 2 2 337.464 3.144 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000423394880 309398452 /nfs/dbraw/zinc/39/84/52/309398452.db2.gz SHLSKSXBIDRHFT-SUMWQHHRSA-N 2 2 347.894 3.350 20 0 EGADLP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000423413459 309399183 /nfs/dbraw/zinc/39/91/83/309399183.db2.gz KQDNQUSKJQFJJE-SJCJKPOMSA-N 2 2 347.409 3.017 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000423414593 309399301 /nfs/dbraw/zinc/39/93/01/309399301.db2.gz CJCBAWULRYHHPU-GDBMZVCRSA-N 2 2 326.893 3.235 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)CCC[NH2+]1 ZINC000423414474 309399347 /nfs/dbraw/zinc/39/93/47/309399347.db2.gz NANDVVNBQJGALJ-AZUAARDMSA-N 2 2 332.488 3.382 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423415910 309399379 /nfs/dbraw/zinc/39/93/79/309399379.db2.gz FFXQRQWHYCKRKX-RDJZCZTQSA-N 2 2 328.403 3.097 20 0 EGADLP Brc1cccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423442087 309400530 /nfs/dbraw/zinc/40/05/30/309400530.db2.gz ZACWRZBZADDTEX-XDNAFOTISA-N 2 2 343.268 3.346 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(F)cn1 ZINC000423524342 309404789 /nfs/dbraw/zinc/40/47/89/309404789.db2.gz JFADFTTXJUFSTB-JIWOQCETSA-N 2 2 333.451 3.034 20 0 EGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423815536 309414298 /nfs/dbraw/zinc/41/42/98/309414298.db2.gz VFCTYMCYSLIHTB-ZIAGYGMSSA-N 2 2 328.460 3.197 20 0 EGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)C[C@H]2C1 ZINC000424270105 309435419 /nfs/dbraw/zinc/43/54/19/309435419.db2.gz QAMWQUOCLDJHMS-FGYAAKKASA-N 2 2 325.456 3.225 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000424340240 309439612 /nfs/dbraw/zinc/43/96/12/309439612.db2.gz XLVNMVSQHLITEO-VXGBXAGGSA-N 2 2 349.219 3.410 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[NH+](CCc2cccs2)CC1 ZINC000431037316 309624009 /nfs/dbraw/zinc/62/40/09/309624009.db2.gz MSQFKCSJWYHSJL-UHFFFAOYSA-N 2 2 344.459 3.139 20 0 EGADLP Fc1ccc(Br)c2[nH+]ccc(NCCCn3cc[nH+]c3)c12 ZINC000443416261 309900712 /nfs/dbraw/zinc/90/07/12/309900712.db2.gz SQBIXGSJAGJXQS-UHFFFAOYSA-N 2 2 349.207 3.257 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449006798 310028295 /nfs/dbraw/zinc/02/82/95/310028295.db2.gz AMFPXRYSMAEQOO-UHFFFAOYSA-N 2 2 330.451 3.142 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449006798 310028296 /nfs/dbraw/zinc/02/82/96/310028296.db2.gz AMFPXRYSMAEQOO-UHFFFAOYSA-N 2 2 330.451 3.142 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047420 310032976 /nfs/dbraw/zinc/03/29/76/310032976.db2.gz NTCNRXVUMVCMGQ-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047420 310032977 /nfs/dbraw/zinc/03/29/77/310032977.db2.gz NTCNRXVUMVCMGQ-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047420 310032978 /nfs/dbraw/zinc/03/29/78/310032978.db2.gz NTCNRXVUMVCMGQ-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047420 310032979 /nfs/dbraw/zinc/03/29/79/310032979.db2.gz NTCNRXVUMVCMGQ-UZLBHIALSA-N 2 2 328.504 3.447 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000449074157 310034926 /nfs/dbraw/zinc/03/49/26/310034926.db2.gz OZROBBWFTWHBES-HUUCEWRRSA-N 2 2 345.512 3.351 20 0 EGADLP COc1cccc2c(C[NH2+]C[C@]3([NH+](C)C)CCSC3)cccc12 ZINC000449175349 310042240 /nfs/dbraw/zinc/04/22/40/310042240.db2.gz JUSAKPNTTPCUDT-LJQANCHMSA-N 2 2 330.497 3.375 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388222 310058259 /nfs/dbraw/zinc/05/82/59/310058259.db2.gz OQISLISKHKDURF-KGLIPLIRSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388222 310058260 /nfs/dbraw/zinc/05/82/60/310058260.db2.gz OQISLISKHKDURF-KGLIPLIRSA-N 2 2 345.314 3.361 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555479 310071412 /nfs/dbraw/zinc/07/14/12/310071412.db2.gz QJZMLKYAUHKXNU-MBOZVWFJSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555479 310071413 /nfs/dbraw/zinc/07/14/13/310071413.db2.gz QJZMLKYAUHKXNU-MBOZVWFJSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)c[nH+]c12 ZINC000449648682 310077432 /nfs/dbraw/zinc/07/74/32/310077432.db2.gz UJNAWHHHZXBCHT-JKSUJKDBSA-N 2 2 348.450 3.099 20 0 EGADLP FC(F)(F)c1ccc2c(cc[nH+]c2NCCC[NH+]2CCOCC2)c1 ZINC000450209514 310108616 /nfs/dbraw/zinc/10/86/16/310108616.db2.gz WPKJFKWXEYSRGX-UHFFFAOYSA-N 2 2 339.361 3.388 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@H]3C[N@@H+](C4CC4)CCO3)c2cc1Cl ZINC000450318662 310115108 /nfs/dbraw/zinc/11/51/08/310115108.db2.gz OERJLUZXSANUJJ-LBPRGKRZSA-N 2 2 335.810 3.302 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@H]3C[N@H+](C4CC4)CCO3)c2cc1Cl ZINC000450318662 310115109 /nfs/dbraw/zinc/11/51/09/310115109.db2.gz OERJLUZXSANUJJ-LBPRGKRZSA-N 2 2 335.810 3.302 20 0 EGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2cc1Cl ZINC000450370036 310118467 /nfs/dbraw/zinc/11/84/67/310118467.db2.gz UZOHYMAXGRUAAQ-CYBMUJFWSA-N 2 2 349.837 3.186 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC000450434586 310122545 /nfs/dbraw/zinc/12/25/45/310122545.db2.gz DDZWGNRQNIFYDP-OAHLLOKOSA-N 2 2 338.879 3.433 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC000450434586 310122546 /nfs/dbraw/zinc/12/25/46/310122546.db2.gz DDZWGNRQNIFYDP-OAHLLOKOSA-N 2 2 338.879 3.433 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000450434586 310122547 /nfs/dbraw/zinc/12/25/47/310122547.db2.gz DDZWGNRQNIFYDP-OAHLLOKOSA-N 2 2 338.879 3.433 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000450434586 310122548 /nfs/dbraw/zinc/12/25/48/310122548.db2.gz DDZWGNRQNIFYDP-OAHLLOKOSA-N 2 2 338.879 3.433 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450461928 310124136 /nfs/dbraw/zinc/12/41/36/310124136.db2.gz XYXJXYCJRCMHCP-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450461928 310124137 /nfs/dbraw/zinc/12/41/37/310124137.db2.gz XYXJXYCJRCMHCP-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCO[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522190 310182503 /nfs/dbraw/zinc/18/25/03/310182503.db2.gz ASRVWRUATLVTCD-HMXCVIKNSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522190 310182504 /nfs/dbraw/zinc/18/25/04/310182504.db2.gz ASRVWRUATLVTCD-HMXCVIKNSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522190 310182505 /nfs/dbraw/zinc/18/25/05/310182505.db2.gz ASRVWRUATLVTCD-HMXCVIKNSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522190 310182506 /nfs/dbraw/zinc/18/25/06/310182506.db2.gz ASRVWRUATLVTCD-HMXCVIKNSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000453395381 310274593 /nfs/dbraw/zinc/27/45/93/310274593.db2.gz JOYXECADQKVJKS-XLIONFOSSA-N 2 2 331.504 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000453395381 310274594 /nfs/dbraw/zinc/27/45/94/310274594.db2.gz JOYXECADQKVJKS-XLIONFOSSA-N 2 2 331.504 3.088 20 0 EGADLP CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000453624227 310285361 /nfs/dbraw/zinc/28/53/61/310285361.db2.gz PSDJLFQDDNJTGM-HXUWFJFHSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000453624227 310285362 /nfs/dbraw/zinc/28/53/62/310285362.db2.gz PSDJLFQDDNJTGM-HXUWFJFHSA-N 2 2 341.455 3.426 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000454386179 310306835 /nfs/dbraw/zinc/30/68/35/310306835.db2.gz XFDHZQJWTOOYCR-HUUCEWRRSA-N 2 2 346.519 3.254 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC000455475015 310362659 /nfs/dbraw/zinc/36/26/59/310362659.db2.gz KMKQKOKJKCMXAJ-HEHGZKQESA-N 2 2 332.492 3.495 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458268152 310495298 /nfs/dbraw/zinc/49/52/98/310495298.db2.gz FWURJQQPOHPOOU-UHFFFAOYSA-N 2 2 336.439 3.353 20 0 EGADLP Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1Br ZINC000459384716 310549168 /nfs/dbraw/zinc/54/91/68/310549168.db2.gz GRKMDEKXWZCPHR-UHFFFAOYSA-N 2 2 339.277 3.119 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC(C4CCCC4)C3)c2cc1C ZINC000481722352 310920012 /nfs/dbraw/zinc/92/00/12/310920012.db2.gz YGGUNINKDPBDPG-SFHVURJKSA-N 2 2 327.472 3.136 20 0 EGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000484181824 310962921 /nfs/dbraw/zinc/96/29/21/310962921.db2.gz XCJKTDLKSKWLIR-LSDHHAIUSA-N 2 2 340.895 3.358 20 0 EGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000486974451 311005035 /nfs/dbraw/zinc/00/50/35/311005035.db2.gz WZVBVWKTHSRCHF-HNAYVOBHSA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000486974451 311005036 /nfs/dbraw/zinc/00/50/36/311005036.db2.gz WZVBVWKTHSRCHF-HNAYVOBHSA-N 2 2 336.483 3.407 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cc1O ZINC000490414161 311141289 /nfs/dbraw/zinc/14/12/89/311141289.db2.gz RLHJGHKSQAONPO-UHFFFAOYSA-N 2 2 346.393 3.249 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cc1O ZINC000490414161 311141291 /nfs/dbraw/zinc/14/12/91/311141291.db2.gz RLHJGHKSQAONPO-UHFFFAOYSA-N 2 2 346.393 3.249 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000493166389 311336810 /nfs/dbraw/zinc/33/68/10/311336810.db2.gz YLWJIASZDWAQJM-IBSYWUHOSA-N 2 2 346.862 3.276 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000493237830 311347246 /nfs/dbraw/zinc/34/72/46/311347246.db2.gz VPWZJUYLCVHKNX-MDZDMXLPSA-N 2 2 335.411 3.357 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493517923 311388826 /nfs/dbraw/zinc/38/88/26/311388826.db2.gz HRSBLBHQDQAPNO-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493517923 311388828 /nfs/dbraw/zinc/38/88/28/311388828.db2.gz HRSBLBHQDQAPNO-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000493967471 311448316 /nfs/dbraw/zinc/44/83/16/311448316.db2.gz GRCJLLHMMHVRFX-LPHOPBHVSA-N 2 2 334.504 3.242 20 0 EGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497126417 311821836 /nfs/dbraw/zinc/82/18/36/311821836.db2.gz HHDGVLKVTTUUQC-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474293 312049582 /nfs/dbraw/zinc/04/95/82/312049582.db2.gz MFNWMHHLHGEZOF-ZRNYENFQSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474293 312049584 /nfs/dbraw/zinc/04/95/84/312049584.db2.gz MFNWMHHLHGEZOF-ZRNYENFQSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474293 312049586 /nfs/dbraw/zinc/04/95/86/312049586.db2.gz MFNWMHHLHGEZOF-ZRNYENFQSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474293 312049587 /nfs/dbraw/zinc/04/95/87/312049587.db2.gz MFNWMHHLHGEZOF-ZRNYENFQSA-N 2 2 349.563 3.268 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718458 312100544 /nfs/dbraw/zinc/10/05/44/312100544.db2.gz NTSUXHICHXKHHJ-HMXCVIKNSA-N 3 2 331.548 3.463 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508789742 312102693 /nfs/dbraw/zinc/10/26/93/312102693.db2.gz PCYXVRQAULMSRU-SFHVURJKSA-N 2 2 327.472 3.429 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508789742 312102696 /nfs/dbraw/zinc/10/26/96/312102696.db2.gz PCYXVRQAULMSRU-SFHVURJKSA-N 2 2 327.472 3.429 20 0 EGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510723477 312146939 /nfs/dbraw/zinc/14/69/39/312146939.db2.gz RUWWHCBTYNMJDU-HRCADAONSA-N 2 2 340.458 3.375 20 0 EGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510723477 312146942 /nfs/dbraw/zinc/14/69/42/312146942.db2.gz RUWWHCBTYNMJDU-HRCADAONSA-N 2 2 340.458 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)ccn12 ZINC000515356189 312278403 /nfs/dbraw/zinc/27/84/03/312278403.db2.gz SZJAGYFXCKOIIZ-LPHOPBHVSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)ccn12 ZINC000515356189 312278405 /nfs/dbraw/zinc/27/84/05/312278405.db2.gz SZJAGYFXCKOIIZ-LPHOPBHVSA-N 2 2 348.450 3.036 20 0 EGADLP C[C@H]1CC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000515409067 312281453 /nfs/dbraw/zinc/28/14/53/312281453.db2.gz TXRNSQNSHMZGDE-GJZGRUSLSA-N 2 2 328.460 3.038 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223555 312315470 /nfs/dbraw/zinc/31/54/70/312315470.db2.gz XCQSVGDSIQWEPW-OXQOHEQNSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223555 312315472 /nfs/dbraw/zinc/31/54/72/312315472.db2.gz XCQSVGDSIQWEPW-OXQOHEQNSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC000516931162 312351618 /nfs/dbraw/zinc/35/16/18/312351618.db2.gz ORBZCFRETXDTKX-QGZVFWFLSA-N 2 2 340.471 3.137 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCSCC(C)C)c2cc1C ZINC000516965116 312354553 /nfs/dbraw/zinc/35/45/53/312354553.db2.gz JKNANYIMANQCKW-KRWDZBQOSA-N 2 2 349.544 3.383 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](c3ccnn3C)C1)CCC2 ZINC000517582721 312384839 /nfs/dbraw/zinc/38/48/39/312384839.db2.gz UJOSWFIRULUFLF-YESZJQIVSA-N 2 2 327.476 3.118 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000517587336 312385289 /nfs/dbraw/zinc/38/52/89/312385289.db2.gz CHGCAPZQDOJPEP-HXUWFJFHSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000517587336 312385290 /nfs/dbraw/zinc/38/52/90/312385290.db2.gz CHGCAPZQDOJPEP-HXUWFJFHSA-N 2 2 344.499 3.162 20 0 EGADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1CCCc1c[nH+]cn1C ZINC000528605570 313128303 /nfs/dbraw/zinc/12/83/03/313128303.db2.gz IEGRIGSTSXSGFF-OAQYLSRUSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCCc1c[nH+]cn1C ZINC000528605570 313128305 /nfs/dbraw/zinc/12/83/05/313128305.db2.gz IEGRIGSTSXSGFF-OAQYLSRUSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000528605570 313128311 /nfs/dbraw/zinc/12/83/11/313128311.db2.gz IEGRIGSTSXSGFF-OAQYLSRUSA-N 2 2 340.515 3.195 20 0 EGADLP C[C@H]1CC(F)(F)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000528774416 313170550 /nfs/dbraw/zinc/17/05/50/313170550.db2.gz VGHFONTXSMBVDM-KRWDZBQOSA-N 2 2 337.458 3.318 20 0 EGADLP C[C@H]1CC(F)(F)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000528774416 313170553 /nfs/dbraw/zinc/17/05/53/313170553.db2.gz VGHFONTXSMBVDM-KRWDZBQOSA-N 2 2 337.458 3.318 20 0 EGADLP Fc1cc(Br)cnc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000529526135 313343384 /nfs/dbraw/zinc/34/33/84/313343384.db2.gz RSYZPOIBJDWOCE-UHFFFAOYSA-N 2 2 339.212 3.017 20 0 EGADLP CC(C)[C@H](C[NH2+]Cc1ccc(F)cn1)[N@H+]1CCc2ccccc2C1 ZINC000529534053 313347372 /nfs/dbraw/zinc/34/73/72/313347372.db2.gz NXHFRYPJKNYACH-FQEVSTJZSA-N 2 2 327.447 3.393 20 0 EGADLP CCn1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000529639304 313376023 /nfs/dbraw/zinc/37/60/23/313376023.db2.gz ARFGEVQKFKNHHO-FQEVSTJZSA-N 2 2 326.488 3.245 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000070533503 454169682 /nfs/dbraw/zinc/16/96/82/454169682.db2.gz HRTCOFAKFSYBIE-AAEUAGOBSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000070533503 454169684 /nfs/dbraw/zinc/16/96/84/454169684.db2.gz HRTCOFAKFSYBIE-AAEUAGOBSA-N 2 2 327.266 3.017 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534864201 314003242 /nfs/dbraw/zinc/00/32/42/314003242.db2.gz XHDWSGOSWUWYER-MRXNPFEDSA-N 2 2 344.503 3.138 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000536503098 314118059 /nfs/dbraw/zinc/11/80/59/314118059.db2.gz PZYGUAUAGVAMLK-MRXNPFEDSA-N 2 2 326.469 3.306 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536994340 314156202 /nfs/dbraw/zinc/15/62/02/314156202.db2.gz RLRSTZUVHJBQNG-QXNHNSEWSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536994340 314156206 /nfs/dbraw/zinc/15/62/06/314156206.db2.gz RLRSTZUVHJBQNG-QXNHNSEWSA-N 2 2 338.854 3.381 20 0 EGADLP OCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000537630362 314198255 /nfs/dbraw/zinc/19/82/55/314198255.db2.gz QYDWBSDPUZZTOL-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000537630362 314198258 /nfs/dbraw/zinc/19/82/58/314198258.db2.gz QYDWBSDPUZZTOL-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000537630362 314198260 /nfs/dbraw/zinc/19/82/60/314198260.db2.gz QYDWBSDPUZZTOL-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000537630362 314198262 /nfs/dbraw/zinc/19/82/62/314198262.db2.gz QYDWBSDPUZZTOL-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000537967691 314221265 /nfs/dbraw/zinc/22/12/65/314221265.db2.gz VSXZYNFBJYDZKN-XHBSWPGZSA-N 2 2 341.293 3.276 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000537967691 314221267 /nfs/dbraw/zinc/22/12/67/314221267.db2.gz VSXZYNFBJYDZKN-XHBSWPGZSA-N 2 2 341.293 3.276 20 0 EGADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2[nH]c(=O)oc2c1 ZINC000538059757 314225629 /nfs/dbraw/zinc/22/56/29/314225629.db2.gz FFVDKDZFRXPDTD-QGZVFWFLSA-N 2 2 328.416 3.497 20 0 EGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000538734507 314270918 /nfs/dbraw/zinc/27/09/18/314270918.db2.gz GOBXOGCAYWTHFE-FQEVSTJZSA-N 2 2 346.515 3.410 20 0 EGADLP CCCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000538734507 314270922 /nfs/dbraw/zinc/27/09/22/314270922.db2.gz GOBXOGCAYWTHFE-FQEVSTJZSA-N 2 2 346.515 3.410 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000540594928 314390570 /nfs/dbraw/zinc/39/05/70/314390570.db2.gz JUQVAWFPMUMZQX-SAKMYQHLSA-N 2 2 343.515 3.433 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccccc1)c1cncnc1)CCC2 ZINC000541734059 314483128 /nfs/dbraw/zinc/48/31/28/314483128.db2.gz LSAHTKXHWMLTIH-IEBWSBKVSA-N 2 2 333.439 3.238 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904905 315061701 /nfs/dbraw/zinc/06/17/01/315061701.db2.gz DEAPFQUSJOPBMI-HNNXBMFYSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904905 315061703 /nfs/dbraw/zinc/06/17/03/315061703.db2.gz DEAPFQUSJOPBMI-HNNXBMFYSA-N 2 2 337.423 3.088 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000549116767 315076343 /nfs/dbraw/zinc/07/63/43/315076343.db2.gz PKQRWYPRNWPHBK-CABCVRRESA-N 2 2 337.423 3.229 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000549116767 315076346 /nfs/dbraw/zinc/07/63/46/315076346.db2.gz PKQRWYPRNWPHBK-CABCVRRESA-N 2 2 337.423 3.229 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000549810306 315105929 /nfs/dbraw/zinc/10/59/29/315105929.db2.gz QJEDFCYXBQVIAK-IAGOWNOFSA-N 2 2 336.907 3.488 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C2)CC1 ZINC000549859837 315107966 /nfs/dbraw/zinc/10/79/66/315107966.db2.gz CDHUWTRFQCKMOZ-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C2)CC1 ZINC000549859837 315107969 /nfs/dbraw/zinc/10/79/69/315107969.db2.gz CDHUWTRFQCKMOZ-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@@H+]1C1CC1 ZINC000549923421 315110935 /nfs/dbraw/zinc/11/09/35/315110935.db2.gz KFAVLEJHNIHPSG-ZBFHGGJFSA-N 2 2 346.544 3.269 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@H+]1C1CC1 ZINC000549923421 315110938 /nfs/dbraw/zinc/11/09/38/315110938.db2.gz KFAVLEJHNIHPSG-ZBFHGGJFSA-N 2 2 346.544 3.269 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000552034729 315191233 /nfs/dbraw/zinc/19/12/33/315191233.db2.gz FXKKYYHYUORUEF-HNNXBMFYSA-N 2 2 346.438 3.276 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320965 315213293 /nfs/dbraw/zinc/21/32/93/315213293.db2.gz IINIEXHMIVYAPN-NVAWSTJUSA-N 2 2 336.426 3.337 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320965 315213296 /nfs/dbraw/zinc/21/32/96/315213296.db2.gz IINIEXHMIVYAPN-NVAWSTJUSA-N 2 2 336.426 3.337 20 0 EGADLP OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1cc(-n4cc[nH+]c4)cs1)(C3)C2 ZINC000554885957 315354465 /nfs/dbraw/zinc/35/44/65/315354465.db2.gz IKZIGFIZMQGXJM-MWABVPJASA-N 2 2 329.469 3.107 20 0 EGADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc21 ZINC000555168446 315370389 /nfs/dbraw/zinc/37/03/89/315370389.db2.gz UIXGLFZEGPTMHX-RBUKOAKNSA-N 2 2 341.455 3.435 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc21 ZINC000555168448 315370499 /nfs/dbraw/zinc/37/04/99/315370499.db2.gz UIXGLFZEGPTMHX-RTBURBONSA-N 2 2 341.455 3.435 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[NH+]1CC(C)C1 ZINC000557547256 315518044 /nfs/dbraw/zinc/51/80/44/315518044.db2.gz LXDWTPHFUTWHCX-HNNXBMFYSA-N 2 2 338.455 3.165 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563363152 316007434 /nfs/dbraw/zinc/00/74/34/316007434.db2.gz HQBUEEKMVOBOAR-KRWDZBQOSA-N 2 2 345.531 3.453 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563363152 316007435 /nfs/dbraw/zinc/00/74/35/316007435.db2.gz HQBUEEKMVOBOAR-KRWDZBQOSA-N 2 2 345.531 3.453 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000564434675 316151632 /nfs/dbraw/zinc/15/16/32/316151632.db2.gz LHFOUCWLTYONAZ-PWRODBHTSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000564434675 316151636 /nfs/dbraw/zinc/15/16/36/316151636.db2.gz LHFOUCWLTYONAZ-PWRODBHTSA-N 2 2 344.499 3.351 20 0 EGADLP Oc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000564507276 316160027 /nfs/dbraw/zinc/16/00/27/316160027.db2.gz ULUOPPQGRVVGOP-OALUTQOASA-N 2 2 340.442 3.485 20 0 EGADLP Oc1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000564507276 316160029 /nfs/dbraw/zinc/16/00/29/316160029.db2.gz ULUOPPQGRVVGOP-OALUTQOASA-N 2 2 340.442 3.485 20 0 EGADLP c1cncc([C@@H]2CCC[C@@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1 ZINC000564722380 316195032 /nfs/dbraw/zinc/19/50/32/316195032.db2.gz BTISSXUHLGAVKT-SJLPKXTDSA-N 2 2 337.471 3.025 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370102 316316148 /nfs/dbraw/zinc/31/61/48/316316148.db2.gz FTQNOWVADHLWNI-RDJZCZTQSA-N 2 2 347.528 3.424 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370102 316316150 /nfs/dbraw/zinc/31/61/50/316316150.db2.gz FTQNOWVADHLWNI-RDJZCZTQSA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370102 316316153 /nfs/dbraw/zinc/31/61/53/316316153.db2.gz FTQNOWVADHLWNI-RDJZCZTQSA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370102 316316155 /nfs/dbraw/zinc/31/61/55/316316155.db2.gz FTQNOWVADHLWNI-RDJZCZTQSA-N 2 2 347.528 3.424 20 0 EGADLP Cc1[nH]c(CNC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[nH+]c1C ZINC000565432974 316324478 /nfs/dbraw/zinc/32/44/78/316324478.db2.gz PHINOHLBVUWLFG-GOSISDBHSA-N 2 2 330.476 3.206 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(Br)c3)CC2)n1C ZINC000565669597 316354758 /nfs/dbraw/zinc/35/47/58/316354758.db2.gz GRNOGNDOGZKWOG-UHFFFAOYSA-N 2 2 334.261 3.312 20 0 EGADLP CC(C)Cc1ccc([C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000567707369 316660513 /nfs/dbraw/zinc/66/05/13/316660513.db2.gz RERYXJVOMIUXRC-SJORKVTESA-N 2 2 346.437 3.391 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295744 317036265 /nfs/dbraw/zinc/03/62/65/317036265.db2.gz MAPNZNMZULWZCW-CVEARBPZSA-N 2 2 344.503 3.146 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295744 317036270 /nfs/dbraw/zinc/03/62/70/317036270.db2.gz MAPNZNMZULWZCW-CVEARBPZSA-N 2 2 344.503 3.146 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000571194285 317164463 /nfs/dbraw/zinc/16/44/63/317164463.db2.gz WGRXFDNCXNBJLO-KZNAEPCWSA-N 2 2 341.842 3.180 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000571702222 317234872 /nfs/dbraw/zinc/23/48/72/317234872.db2.gz FJBHCCARCFCKIO-UHFFFAOYSA-N 2 2 333.520 3.213 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000571725471 317237605 /nfs/dbraw/zinc/23/76/05/317237605.db2.gz LJOFNLQUHBPWIY-GFCCVEGCSA-N 2 2 330.303 3.491 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC000571725471 317237609 /nfs/dbraw/zinc/23/76/09/317237609.db2.gz LJOFNLQUHBPWIY-GFCCVEGCSA-N 2 2 330.303 3.491 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)[nH]c2c1 ZINC000571753125 317242159 /nfs/dbraw/zinc/24/21/59/317242159.db2.gz ZTCZHJVDNRIICK-WIYYLYMNSA-N 2 2 348.450 3.217 20 0 EGADLP C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000572339678 317323449 /nfs/dbraw/zinc/32/34/49/317323449.db2.gz UREKTBMTNACANA-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCC[C@@H](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000572339678 317323451 /nfs/dbraw/zinc/32/34/51/317323451.db2.gz UREKTBMTNACANA-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1(c2ccccc2)CCCC1 ZINC000573283693 317463332 /nfs/dbraw/zinc/46/33/32/317463332.db2.gz YVKXDNVLRXNHAH-RBUKOAKNSA-N 2 2 330.516 3.445 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000573429315 317483292 /nfs/dbraw/zinc/48/32/92/317483292.db2.gz XLIQZKBUUUBMQQ-GFCCVEGCSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000574151238 317566461 /nfs/dbraw/zinc/56/64/61/317566461.db2.gz PMHHUDXFUQLVFG-WMQCIHAUSA-N 2 2 326.484 3.261 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230309920 456135659 /nfs/dbraw/zinc/13/56/59/456135659.db2.gz AVTGATRPRLDBCG-GHMZBOCLSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230309920 456135667 /nfs/dbraw/zinc/13/56/67/456135667.db2.gz AVTGATRPRLDBCG-GHMZBOCLSA-N 2 2 345.231 3.444 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000236073129 456155704 /nfs/dbraw/zinc/15/57/04/456155704.db2.gz LOQBBKBDVAZJRO-NSHDSACASA-N 2 2 329.669 3.429 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1Br ZINC000236073129 456155707 /nfs/dbraw/zinc/15/57/07/456155707.db2.gz LOQBBKBDVAZJRO-NSHDSACASA-N 2 2 329.669 3.429 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000275763377 456307501 /nfs/dbraw/zinc/30/75/01/456307501.db2.gz YAIGBZTXWTXKGU-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000275763377 456307503 /nfs/dbraw/zinc/30/75/03/456307503.db2.gz YAIGBZTXWTXKGU-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000275763377 456307505 /nfs/dbraw/zinc/30/75/05/456307505.db2.gz YAIGBZTXWTXKGU-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275763377 456307509 /nfs/dbraw/zinc/30/75/09/456307509.db2.gz YAIGBZTXWTXKGU-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177806817 323346196 /nfs/dbraw/zinc/34/61/96/323346196.db2.gz XPCCHLIARVNFHR-IZHWHUGBSA-N 2 2 339.464 3.461 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178147062 323351800 /nfs/dbraw/zinc/35/18/00/323351800.db2.gz JNDRWWYKPGRMTP-INIZCTEOSA-N 2 2 338.455 3.465 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178147062 323351805 /nfs/dbraw/zinc/35/18/05/323351805.db2.gz JNDRWWYKPGRMTP-INIZCTEOSA-N 2 2 338.455 3.465 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178879216 323361750 /nfs/dbraw/zinc/36/17/50/323361750.db2.gz QOKCGGIMPKSWJT-YTQUADARSA-N 2 2 337.552 3.074 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178879216 323361755 /nfs/dbraw/zinc/36/17/55/323361755.db2.gz QOKCGGIMPKSWJT-YTQUADARSA-N 2 2 337.552 3.074 20 0 EGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000575115185 324419590 /nfs/dbraw/zinc/41/95/90/324419590.db2.gz IHSKSKGQNKMNDD-OXJNMPFZSA-N 2 2 347.466 3.022 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000580080924 325201489 /nfs/dbraw/zinc/20/14/89/325201489.db2.gz WXCLODQSPGNOSH-SJORKVTESA-N 2 2 340.471 3.176 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000581136742 325333841 /nfs/dbraw/zinc/33/38/41/325333841.db2.gz BYHWEGGQVIGWCX-LLVKDONJSA-N 2 2 344.286 3.381 20 0 EGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cccc(O)c1 ZINC000581147260 325335036 /nfs/dbraw/zinc/33/50/36/325335036.db2.gz CBFINYSLFWRGSD-UHFFFAOYSA-N 2 2 339.483 3.036 20 0 EGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cccc(O)c1 ZINC000581147260 325335039 /nfs/dbraw/zinc/33/50/39/325335039.db2.gz CBFINYSLFWRGSD-UHFFFAOYSA-N 2 2 339.483 3.036 20 0 EGADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000581160370 325336114 /nfs/dbraw/zinc/33/61/14/325336114.db2.gz BAQNDAJUPGSAFI-UHFFFAOYSA-N 2 2 329.448 3.064 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581608332 325376377 /nfs/dbraw/zinc/37/63/77/325376377.db2.gz XTTOAPOLFYLYTI-FQEVSTJZSA-N 2 2 342.439 3.185 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581608332 325376378 /nfs/dbraw/zinc/37/63/78/325376378.db2.gz XTTOAPOLFYLYTI-FQEVSTJZSA-N 2 2 342.439 3.185 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)c[nH+]c12 ZINC000189600588 455222552 /nfs/dbraw/zinc/22/25/52/455222552.db2.gz UYIDGEWDCQYGLG-BBRMVZONSA-N 2 2 341.377 3.216 20 0 EGADLP Cn1cc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(F)c2)cn1 ZINC000180728223 455234740 /nfs/dbraw/zinc/23/47/40/455234740.db2.gz JZLPHNIMJHVKMV-LJQANCHMSA-N 2 2 339.418 3.135 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474800558 458902570 /nfs/dbraw/zinc/90/25/70/458902570.db2.gz MXDXDXRQPPHZQA-HZSPNIEDSA-N 2 2 330.925 3.451 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474800558 458902575 /nfs/dbraw/zinc/90/25/75/458902575.db2.gz MXDXDXRQPPHZQA-HZSPNIEDSA-N 2 2 330.925 3.451 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441351062 458924979 /nfs/dbraw/zinc/92/49/79/458924979.db2.gz WAKNWLFDJZUDRJ-QZTJIDSGSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441351062 458924983 /nfs/dbraw/zinc/92/49/83/458924983.db2.gz WAKNWLFDJZUDRJ-QZTJIDSGSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441351062 458924987 /nfs/dbraw/zinc/92/49/87/458924987.db2.gz WAKNWLFDJZUDRJ-QZTJIDSGSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441351062 458924992 /nfs/dbraw/zinc/92/49/92/458924992.db2.gz WAKNWLFDJZUDRJ-QZTJIDSGSA-N 2 2 325.541 3.124 20 0 EGADLP C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)SC1CCCCC1 ZINC000590599360 459157108 /nfs/dbraw/zinc/15/71/08/459157108.db2.gz BJVXRPKLHSIPIF-KRWDZBQOSA-N 2 2 326.550 3.239 20 0 EGADLP C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)SC1CCCCC1 ZINC000590599360 459157117 /nfs/dbraw/zinc/15/71/17/459157117.db2.gz BJVXRPKLHSIPIF-KRWDZBQOSA-N 2 2 326.550 3.239 20 0 EGADLP FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180800976 455247816 /nfs/dbraw/zinc/24/78/16/455247816.db2.gz PNZIFYQGFIUPKU-CQSZACIVSA-N 2 2 349.360 3.387 20 0 EGADLP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000180800976 455247818 /nfs/dbraw/zinc/24/78/18/455247818.db2.gz PNZIFYQGFIUPKU-CQSZACIVSA-N 2 2 349.360 3.387 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000173359486 455272434 /nfs/dbraw/zinc/27/24/34/455272434.db2.gz ZAUPZODONUJTKO-UHFFFAOYSA-N 2 2 349.276 3.023 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449533 455304057 /nfs/dbraw/zinc/30/40/57/455304057.db2.gz NUVNGWOATPAJEN-ULQDDVLXSA-N 2 2 349.544 3.074 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449533 455304058 /nfs/dbraw/zinc/30/40/58/455304058.db2.gz NUVNGWOATPAJEN-ULQDDVLXSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449533 455304060 /nfs/dbraw/zinc/30/40/60/455304060.db2.gz NUVNGWOATPAJEN-ULQDDVLXSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449533 455304061 /nfs/dbraw/zinc/30/40/61/455304061.db2.gz NUVNGWOATPAJEN-ULQDDVLXSA-N 2 2 349.544 3.074 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2F)CC12CCOCC2 ZINC000631827345 460575147 /nfs/dbraw/zinc/57/51/47/460575147.db2.gz LXSCSMDSPZSIGR-LBPRGKRZSA-N 2 2 347.261 3.320 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2F)CC12CCOCC2 ZINC000631827345 460575151 /nfs/dbraw/zinc/57/51/51/460575151.db2.gz LXSCSMDSPZSIGR-LBPRGKRZSA-N 2 2 347.261 3.320 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000158898521 455336856 /nfs/dbraw/zinc/33/68/56/455336856.db2.gz SBHTWDOJIAIKCE-CRAIPNDOSA-N 2 2 326.431 3.098 20 0 EGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)nc[nH+]1 ZINC000033883423 453917244 /nfs/dbraw/zinc/91/72/44/453917244.db2.gz ZKQMKFUGFPVGKQ-UHFFFAOYSA-N 2 2 349.276 3.116 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174403145 455386875 /nfs/dbraw/zinc/38/68/75/455386875.db2.gz DWZHKYOBFMNETN-KRWDZBQOSA-N 2 2 338.879 3.082 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000076002940 453947695 /nfs/dbraw/zinc/94/76/95/453947695.db2.gz PPDHAFKQSXFJSV-GBESFXJTSA-N 2 2 345.531 3.224 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000076002940 453947699 /nfs/dbraw/zinc/94/76/99/453947699.db2.gz PPDHAFKQSXFJSV-GBESFXJTSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076004482 453948470 /nfs/dbraw/zinc/94/84/70/453948470.db2.gz LSEHLWYJIFLQMI-UYAOXDASSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076004482 453948473 /nfs/dbraw/zinc/94/84/73/453948473.db2.gz LSEHLWYJIFLQMI-UYAOXDASSA-N 2 2 345.531 3.308 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000076004134 453948904 /nfs/dbraw/zinc/94/89/04/453948904.db2.gz UBOQWRDLGHHLJR-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000076004134 453948906 /nfs/dbraw/zinc/94/89/06/453948906.db2.gz UBOQWRDLGHHLJR-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[N@@H+](Cc1nc(C)c(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108624 453964407 /nfs/dbraw/zinc/96/44/07/453964407.db2.gz VCXGMRMPYVZCAN-UHFFFAOYSA-N 2 2 328.460 3.425 20 0 EGADLP CC[N@H+](Cc1nc(C)c(C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108624 453964410 /nfs/dbraw/zinc/96/44/10/453964410.db2.gz VCXGMRMPYVZCAN-UHFFFAOYSA-N 2 2 328.460 3.425 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000084074764 453967906 /nfs/dbraw/zinc/96/79/06/453967906.db2.gz DBNVVJYRSHVVJW-UHFFFAOYSA-N 2 2 335.517 3.423 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)c2ccc3[nH+]ccn3c2)[NH+]2CCCC2)cc1 ZINC000068323084 454017333 /nfs/dbraw/zinc/01/73/33/454017333.db2.gz AWAURJYVRFLWNP-LJQANCHMSA-N 2 2 348.450 3.210 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000085824018 454039699 /nfs/dbraw/zinc/03/96/99/454039699.db2.gz FJXCAZJEJDCROA-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1ccc(OC)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000085824018 454039701 /nfs/dbraw/zinc/03/97/01/454039701.db2.gz FJXCAZJEJDCROA-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000085824023 454040222 /nfs/dbraw/zinc/04/02/22/454040222.db2.gz ZDQBGWWXIOTLNF-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000085824023 454040224 /nfs/dbraw/zinc/04/02/24/454040224.db2.gz ZDQBGWWXIOTLNF-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000085824023 454040227 /nfs/dbraw/zinc/04/02/27/454040227.db2.gz ZDQBGWWXIOTLNF-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000085824023 454040229 /nfs/dbraw/zinc/04/02/29/454040229.db2.gz ZDQBGWWXIOTLNF-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000085824024 454040251 /nfs/dbraw/zinc/04/02/51/454040251.db2.gz ZDQBGWWXIOTLNF-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000085824024 454040254 /nfs/dbraw/zinc/04/02/54/454040254.db2.gz ZDQBGWWXIOTLNF-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000085824024 454040256 /nfs/dbraw/zinc/04/02/56/454040256.db2.gz ZDQBGWWXIOTLNF-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000085824024 454040258 /nfs/dbraw/zinc/04/02/58/454040258.db2.gz ZDQBGWWXIOTLNF-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000076900978 454047171 /nfs/dbraw/zinc/04/71/71/454047171.db2.gz NTBYNEVPCLVAAD-UHFFFAOYSA-N 2 2 345.878 3.245 20 0 EGADLP Cc1ccccc1C[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077191490 454073138 /nfs/dbraw/zinc/07/31/38/454073138.db2.gz BGZAFUFPAIJCMG-UHFFFAOYSA-N 2 2 348.454 3.047 20 0 EGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858712 454153164 /nfs/dbraw/zinc/15/31/64/454153164.db2.gz XHXUTAQEUIVLBG-INIZCTEOSA-N 2 2 342.405 3.250 20 0 EGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858712 454153167 /nfs/dbraw/zinc/15/31/67/454153167.db2.gz XHXUTAQEUIVLBG-INIZCTEOSA-N 2 2 342.405 3.250 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)nc1 ZINC000071924546 454260282 /nfs/dbraw/zinc/26/02/82/454260282.db2.gz VHMPQMCPQLLRAW-UHFFFAOYSA-N 2 2 335.451 3.112 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004147 454260921 /nfs/dbraw/zinc/26/09/21/454260921.db2.gz WPLLHGWSTPLXNG-KRWDZBQOSA-N 2 2 340.471 3.012 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004147 454260922 /nfs/dbraw/zinc/26/09/22/454260922.db2.gz WPLLHGWSTPLXNG-KRWDZBQOSA-N 2 2 340.471 3.012 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccccc1Br ZINC000090047456 454266811 /nfs/dbraw/zinc/26/68/11/454266811.db2.gz SLTWCSTYJXKDQS-KBPBESRZSA-N 2 2 341.293 3.211 20 0 EGADLP Cc1cc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000078559558 454275561 /nfs/dbraw/zinc/27/55/61/454275561.db2.gz DSEJNYSPAMRVOR-IYBDPMFKSA-N 2 2 339.439 3.252 20 0 EGADLP Cc1cc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000078559558 454275565 /nfs/dbraw/zinc/27/55/65/454275565.db2.gz DSEJNYSPAMRVOR-IYBDPMFKSA-N 2 2 339.439 3.252 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131816985 454289566 /nfs/dbraw/zinc/28/95/66/454289566.db2.gz GNIYFEQMSWZLBX-GOSISDBHSA-N 2 2 339.439 3.044 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131816985 454289574 /nfs/dbraw/zinc/28/95/74/454289574.db2.gz GNIYFEQMSWZLBX-GOSISDBHSA-N 2 2 339.439 3.044 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000072559214 454310608 /nfs/dbraw/zinc/31/06/08/454310608.db2.gz SEXZNUUKGKEFQW-UHFFFAOYSA-N 2 2 345.531 3.230 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000072559214 454310616 /nfs/dbraw/zinc/31/06/16/454310616.db2.gz SEXZNUUKGKEFQW-UHFFFAOYSA-N 2 2 345.531 3.230 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000120515984 454313657 /nfs/dbraw/zinc/31/36/57/454313657.db2.gz DNWKFVFFXVQMAI-OCCSQVGLSA-N 2 2 328.378 3.343 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000120515984 454313662 /nfs/dbraw/zinc/31/36/62/454313662.db2.gz DNWKFVFFXVQMAI-OCCSQVGLSA-N 2 2 328.378 3.343 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)n1 ZINC000132163845 454318493 /nfs/dbraw/zinc/31/84/93/454318493.db2.gz FAFWBPSUAZBBAR-HNNXBMFYSA-N 2 2 335.455 3.232 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090847029 454345451 /nfs/dbraw/zinc/34/54/51/454345451.db2.gz VUTKNGBULNIBCR-KRWDZBQOSA-N 3 2 327.472 3.224 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CCC3Cc4ccccc4C3)CC2)nc1 ZINC000090853938 454346172 /nfs/dbraw/zinc/34/61/72/454346172.db2.gz SCQZIVGWCZXYCL-UHFFFAOYSA-N 2 2 335.495 3.441 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000120787674 454347076 /nfs/dbraw/zinc/34/70/76/454347076.db2.gz VPUQGUDBOOCHGA-UHFFFAOYSA-N 2 2 326.444 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000120787674 454347079 /nfs/dbraw/zinc/34/70/79/454347079.db2.gz VPUQGUDBOOCHGA-UHFFFAOYSA-N 2 2 326.444 3.422 20 0 EGADLP Brc1cc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)cs1 ZINC000133351747 454416620 /nfs/dbraw/zinc/41/66/20/454416620.db2.gz JMNURSVYQQZGGI-UHFFFAOYSA-N 2 2 326.263 3.372 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)Cn1cc[nH+]c1 ZINC000062254387 454372337 /nfs/dbraw/zinc/37/23/37/454372337.db2.gz DKSOSQVEYGFLLD-KRWDZBQOSA-N 2 2 336.439 3.283 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000073025155 454384131 /nfs/dbraw/zinc/38/41/31/454384131.db2.gz TYGQLVWLGGUMNN-LJQANCHMSA-N 2 2 348.450 3.001 20 0 EGADLP Brc1cc(C[N@H+](CCn2cc[nH+]c2)C2CC2)cs1 ZINC000133351747 454416614 /nfs/dbraw/zinc/41/66/14/454416614.db2.gz JMNURSVYQQZGGI-UHFFFAOYSA-N 2 2 326.263 3.372 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284490 454421691 /nfs/dbraw/zinc/42/16/91/454421691.db2.gz BWRSJFHOULLQIL-OLZOCXBDSA-N 2 2 332.879 3.362 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284490 454421693 /nfs/dbraw/zinc/42/16/93/454421693.db2.gz BWRSJFHOULLQIL-OLZOCXBDSA-N 2 2 332.879 3.362 20 0 EGADLP C[C@@]1([NH2+]Cc2ccc3nccnc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634984737 460640375 /nfs/dbraw/zinc/64/03/75/460640375.db2.gz AUECSIBZMMACIP-OAQYLSRUSA-N 2 2 332.451 3.384 20 0 EGADLP C[C@@]1([NH2+]Cc2ccc3nccnc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634984737 460640382 /nfs/dbraw/zinc/64/03/82/460640382.db2.gz AUECSIBZMMACIP-OAQYLSRUSA-N 2 2 332.451 3.384 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000121770003 454475382 /nfs/dbraw/zinc/47/53/82/454475382.db2.gz KNTOBEIQOGYPKD-HOTGVXAUSA-N 2 2 337.533 3.122 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000092071852 454516346 /nfs/dbraw/zinc/51/63/46/454516346.db2.gz NLHOYKPKQFVULA-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000092071852 454516350 /nfs/dbraw/zinc/51/63/50/454516350.db2.gz NLHOYKPKQFVULA-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000134492713 454551043 /nfs/dbraw/zinc/55/10/43/454551043.db2.gz MKDUOAVOVAOZIP-IBGZPJMESA-N 2 2 336.439 3.040 20 0 EGADLP CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000134492713 454551046 /nfs/dbraw/zinc/55/10/46/454551046.db2.gz MKDUOAVOVAOZIP-IBGZPJMESA-N 2 2 336.439 3.040 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000092386194 454558718 /nfs/dbraw/zinc/55/87/18/454558718.db2.gz IZWUAQRCZOJGGQ-UHFFFAOYSA-N 2 2 345.874 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000134733546 454584157 /nfs/dbraw/zinc/58/41/57/454584157.db2.gz NIQPHECPXFCIBM-HNNXBMFYSA-N 2 2 346.434 3.462 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000134733546 454584162 /nfs/dbraw/zinc/58/41/62/454584162.db2.gz NIQPHECPXFCIBM-HNNXBMFYSA-N 2 2 346.434 3.462 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3cccs3)c2cc1C ZINC000051114746 454609246 /nfs/dbraw/zinc/60/92/46/454609246.db2.gz XZDMJGWKGDBGKV-OAHLLOKOSA-N 2 2 329.469 3.208 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3cccs3)c2cc1C ZINC000051114746 454609251 /nfs/dbraw/zinc/60/92/51/454609251.db2.gz XZDMJGWKGDBGKV-OAHLLOKOSA-N 2 2 329.469 3.208 20 0 EGADLP Clc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134937824 454612972 /nfs/dbraw/zinc/61/29/72/454612972.db2.gz FAHUVFXDOLTOOO-RDTXWAMCSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134937824 454612976 /nfs/dbraw/zinc/61/29/76/454612976.db2.gz FAHUVFXDOLTOOO-RDTXWAMCSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000134937824 454612981 /nfs/dbraw/zinc/61/29/81/454612981.db2.gz FAHUVFXDOLTOOO-RDTXWAMCSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000134937824 454612988 /nfs/dbraw/zinc/61/29/88/454612988.db2.gz FAHUVFXDOLTOOO-RDTXWAMCSA-N 2 2 344.890 3.436 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134940626 454614332 /nfs/dbraw/zinc/61/43/32/454614332.db2.gz GSNWYNPAQWZKMV-YQVWRLOYSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134940626 454614336 /nfs/dbraw/zinc/61/43/36/454614336.db2.gz GSNWYNPAQWZKMV-YQVWRLOYSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134940626 454614341 /nfs/dbraw/zinc/61/43/41/454614341.db2.gz GSNWYNPAQWZKMV-YQVWRLOYSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134940626 454614343 /nfs/dbraw/zinc/61/43/43/454614343.db2.gz GSNWYNPAQWZKMV-YQVWRLOYSA-N 2 2 335.536 3.020 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000123653125 454661390 /nfs/dbraw/zinc/66/13/90/454661390.db2.gz NHIDMZULMCLAKD-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000123653125 454661396 /nfs/dbraw/zinc/66/13/96/454661396.db2.gz NHIDMZULMCLAKD-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000123765628 454672713 /nfs/dbraw/zinc/67/27/13/454672713.db2.gz JGJSVTBVJGFICW-INIZCTEOSA-N 2 2 331.435 3.283 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000123765628 454672720 /nfs/dbraw/zinc/67/27/20/454672720.db2.gz JGJSVTBVJGFICW-INIZCTEOSA-N 2 2 331.435 3.283 20 0 EGADLP Cc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc(C)[nH+]1 ZINC000052473612 454676601 /nfs/dbraw/zinc/67/66/01/454676601.db2.gz BZWQMJCIAFWGQR-UHFFFAOYSA-N 2 2 332.398 3.448 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597347 454721942 /nfs/dbraw/zinc/72/19/42/454721942.db2.gz MRABHOLRDJBLMW-INIZCTEOSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597347 454721947 /nfs/dbraw/zinc/72/19/47/454721947.db2.gz MRABHOLRDJBLMW-INIZCTEOSA-N 2 2 325.456 3.161 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC000093865741 454740487 /nfs/dbraw/zinc/74/04/87/454740487.db2.gz ORANHQZPGUXYAB-AWEZNQCLSA-N 2 2 338.329 3.475 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC000093865741 454740490 /nfs/dbraw/zinc/74/04/90/454740490.db2.gz ORANHQZPGUXYAB-AWEZNQCLSA-N 2 2 338.329 3.475 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1OC ZINC000093866279 454741113 /nfs/dbraw/zinc/74/11/13/454741113.db2.gz BCJTZAHWULUIPP-OAHLLOKOSA-N 2 2 348.830 3.406 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1OC ZINC000093866279 454741115 /nfs/dbraw/zinc/74/11/15/454741115.db2.gz BCJTZAHWULUIPP-OAHLLOKOSA-N 2 2 348.830 3.406 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000162191348 454757683 /nfs/dbraw/zinc/75/76/83/454757683.db2.gz TUJUOAOTKLYZHK-YPMHNXCESA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000162191348 454757686 /nfs/dbraw/zinc/75/76/86/454757686.db2.gz TUJUOAOTKLYZHK-YPMHNXCESA-N 2 2 341.268 3.346 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124749632 454766705 /nfs/dbraw/zinc/76/67/05/454766705.db2.gz HEVAFKFCCFIERM-WDSOQIARSA-N 2 2 337.552 3.218 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124749632 454766709 /nfs/dbraw/zinc/76/67/09/454766709.db2.gz HEVAFKFCCFIERM-WDSOQIARSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153211306 454771346 /nfs/dbraw/zinc/77/13/46/454771346.db2.gz IXHMECCZZAJABC-CJNGLKHVSA-N 2 2 340.920 3.435 20 0 EGADLP Cc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C)[nH+]1 ZINC000176783144 454782335 /nfs/dbraw/zinc/78/23/35/454782335.db2.gz XDYADDDJPRBAJR-UHFFFAOYSA-N 2 2 330.476 3.475 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(F)cc1 ZINC000635013647 460655183 /nfs/dbraw/zinc/65/51/83/460655183.db2.gz ZVNOJVWFDJVPNX-XJKSGUPXSA-N 2 2 345.466 3.144 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)OCCO2 ZINC000162879546 454806379 /nfs/dbraw/zinc/80/63/79/454806379.db2.gz RVOGBKAYAZAGAE-OAHLLOKOSA-N 2 2 327.428 3.396 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212774 454831426 /nfs/dbraw/zinc/83/14/26/454831426.db2.gz VWZZBFHWBGGUHV-MNOVXSKESA-N 2 2 347.684 3.150 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212774 454831432 /nfs/dbraw/zinc/83/14/32/454831432.db2.gz VWZZBFHWBGGUHV-MNOVXSKESA-N 2 2 347.684 3.150 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177245219 454842425 /nfs/dbraw/zinc/84/24/25/454842425.db2.gz ABNPNLDRTPBSOS-NRFANRHFSA-N 2 2 342.458 3.352 20 0 EGADLP Cc1nc(C)c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000177257249 454843268 /nfs/dbraw/zinc/84/32/68/454843268.db2.gz HRUWXNSUGAWFFI-UHFFFAOYSA-N 2 2 344.528 3.294 20 0 EGADLP Cc1nc(C)c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000177257249 454843271 /nfs/dbraw/zinc/84/32/71/454843271.db2.gz HRUWXNSUGAWFFI-UHFFFAOYSA-N 2 2 344.528 3.294 20 0 EGADLP C[N@H+](Cc1cc(F)ccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258232 454843779 /nfs/dbraw/zinc/84/37/79/454843779.db2.gz XZKRSZWONYLRMM-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP C[N@@H+](Cc1cc(F)ccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258232 454843780 /nfs/dbraw/zinc/84/37/80/454843780.db2.gz XZKRSZWONYLRMM-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000246385895 455481451 /nfs/dbraw/zinc/48/14/51/455481451.db2.gz AICYSDOFRMOMGL-RBSFLKMASA-N 2 2 342.430 3.438 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cncs1 ZINC000126694566 454912332 /nfs/dbraw/zinc/91/23/32/454912332.db2.gz LWWIKTPAOTXKSI-UONOGXRCSA-N 2 2 348.491 3.446 20 0 EGADLP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177906080 454918316 /nfs/dbraw/zinc/91/83/16/454918316.db2.gz UAXLCYGLZCOVRC-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](CC4CCCC4)C3)CC2)nc1 ZINC000154765366 454927765 /nfs/dbraw/zinc/92/77/65/454927765.db2.gz HBVDSLFIZSSSRU-FQEVSTJZSA-N 2 2 342.531 3.106 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](CC4CCCC4)C3)CC2)nc1 ZINC000154765366 454927767 /nfs/dbraw/zinc/92/77/67/454927767.db2.gz HBVDSLFIZSSSRU-FQEVSTJZSA-N 2 2 342.531 3.106 20 0 EGADLP CC[N@H+](C)CCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114383837 454952113 /nfs/dbraw/zinc/95/21/13/454952113.db2.gz TVMUSNOQWZWECA-UHFFFAOYSA-N 2 2 333.819 3.209 20 0 EGADLP CC[N@@H+](C)CCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114383837 454952117 /nfs/dbraw/zinc/95/21/17/454952117.db2.gz TVMUSNOQWZWECA-UHFFFAOYSA-N 2 2 333.819 3.209 20 0 EGADLP C[C@H]([NH3+])C1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000178806984 454979450 /nfs/dbraw/zinc/97/94/50/454979450.db2.gz SISFJTKYXQXKMU-AWEZNQCLSA-N 2 2 325.412 3.073 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179172531 455016747 /nfs/dbraw/zinc/01/67/47/455016747.db2.gz GYGAJZCNFMZBCV-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179172531 455016753 /nfs/dbraw/zinc/01/67/53/455016753.db2.gz GYGAJZCNFMZBCV-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179172531 455016757 /nfs/dbraw/zinc/01/67/57/455016757.db2.gz GYGAJZCNFMZBCV-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179172531 455016762 /nfs/dbraw/zinc/01/67/62/455016762.db2.gz GYGAJZCNFMZBCV-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000115547071 455019601 /nfs/dbraw/zinc/01/96/01/455019601.db2.gz JAHWDRCIEOYCFZ-UHFFFAOYSA-N 2 2 342.936 3.211 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000115547071 455019605 /nfs/dbraw/zinc/01/96/05/455019605.db2.gz JAHWDRCIEOYCFZ-UHFFFAOYSA-N 2 2 342.936 3.211 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155680657 455030980 /nfs/dbraw/zinc/03/09/80/455030980.db2.gz CSKHWZVMDSRWLK-CQSZACIVSA-N 2 2 336.233 3.149 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000151824306 455035284 /nfs/dbraw/zinc/03/52/84/455035284.db2.gz JAGFZTFGSGIZIY-WCIQWLHISA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@@H]21 ZINC000151824306 455035287 /nfs/dbraw/zinc/03/52/87/455035287.db2.gz JAGFZTFGSGIZIY-WCIQWLHISA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccnc1Cl ZINC000116396055 455054849 /nfs/dbraw/zinc/05/48/49/455054849.db2.gz QDSVCQAOTAUXGO-GXTWGEPZSA-N 2 2 340.899 3.018 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC000116397256 455055078 /nfs/dbraw/zinc/05/50/78/455055078.db2.gz WIORSWBSRJEBBS-RHSMWYFYSA-N 2 2 337.483 3.417 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)n2)cc1 ZINC000152108008 455073658 /nfs/dbraw/zinc/07/36/58/455073658.db2.gz HGWNFAJXAFRFBV-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)n2)cc1 ZINC000152108008 455073662 /nfs/dbraw/zinc/07/36/62/455073662.db2.gz HGWNFAJXAFRFBV-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000152108008 455073665 /nfs/dbraw/zinc/07/36/65/455073665.db2.gz HGWNFAJXAFRFBV-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000152108008 455073667 /nfs/dbraw/zinc/07/36/67/455073667.db2.gz HGWNFAJXAFRFBV-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000118842052 455114250 /nfs/dbraw/zinc/11/42/50/455114250.db2.gz FQAMUJXSOGGVRE-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000118842052 455114254 /nfs/dbraw/zinc/11/42/54/455114254.db2.gz FQAMUJXSOGGVRE-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000118842052 455114256 /nfs/dbraw/zinc/11/42/56/455114256.db2.gz FQAMUJXSOGGVRE-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000118842052 455114259 /nfs/dbraw/zinc/11/42/59/455114259.db2.gz FQAMUJXSOGGVRE-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152493390 455126391 /nfs/dbraw/zinc/12/63/91/455126391.db2.gz RULXFHLHXGHUHZ-GFCCVEGCSA-N 2 2 341.286 3.415 20 0 EGADLP C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152493390 455126396 /nfs/dbraw/zinc/12/63/96/455126396.db2.gz RULXFHLHXGHUHZ-GFCCVEGCSA-N 2 2 341.286 3.415 20 0 EGADLP C[NH+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152493390 455126400 /nfs/dbraw/zinc/12/64/00/455126400.db2.gz RULXFHLHXGHUHZ-GFCCVEGCSA-N 2 2 341.286 3.415 20 0 EGADLP C[NH+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152493390 455126404 /nfs/dbraw/zinc/12/64/04/455126404.db2.gz RULXFHLHXGHUHZ-GFCCVEGCSA-N 2 2 341.286 3.415 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156543895 455130773 /nfs/dbraw/zinc/13/07/73/455130773.db2.gz DJSLLUHBKWITAN-VDZJLULYSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000156543895 455130777 /nfs/dbraw/zinc/13/07/77/455130777.db2.gz DJSLLUHBKWITAN-VDZJLULYSA-N 2 2 340.471 3.410 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)N1CCCCC1 ZINC000119197882 455131606 /nfs/dbraw/zinc/13/16/06/455131606.db2.gz AWBSGPOGXZPPBY-IHPCNDPISA-N 2 2 345.531 3.152 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)N1CCCCC1 ZINC000119197882 455131608 /nfs/dbraw/zinc/13/16/08/455131608.db2.gz AWBSGPOGXZPPBY-IHPCNDPISA-N 2 2 345.531 3.152 20 0 EGADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000129901854 455133088 /nfs/dbraw/zinc/13/30/88/455133088.db2.gz FVKCKMZBCMGWKV-INIZCTEOSA-N 2 2 344.890 3.443 20 0 EGADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000129901854 455133091 /nfs/dbraw/zinc/13/30/91/455133091.db2.gz FVKCKMZBCMGWKV-INIZCTEOSA-N 2 2 344.890 3.443 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130054938 455139612 /nfs/dbraw/zinc/13/96/12/455139612.db2.gz XQUUCRCPFZWMJL-UHFFFAOYSA-N 2 2 340.471 3.031 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156737694 455147971 /nfs/dbraw/zinc/14/79/71/455147971.db2.gz IEAAXOIORSFUHO-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156737694 455147973 /nfs/dbraw/zinc/14/79/73/455147973.db2.gz IEAAXOIORSFUHO-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157004235 455161073 /nfs/dbraw/zinc/16/10/73/455161073.db2.gz AVOOUMFOWFAPPL-HBFSDRIKSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157004235 455161075 /nfs/dbraw/zinc/16/10/75/455161075.db2.gz AVOOUMFOWFAPPL-HBFSDRIKSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157004235 455161078 /nfs/dbraw/zinc/16/10/78/455161078.db2.gz AVOOUMFOWFAPPL-HBFSDRIKSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157004235 455161080 /nfs/dbraw/zinc/16/10/80/455161080.db2.gz AVOOUMFOWFAPPL-HBFSDRIKSA-N 2 2 345.531 3.132 20 0 EGADLP Cc1ccc(CC[N@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)cc1 ZINC000182802868 455167082 /nfs/dbraw/zinc/16/70/82/455167082.db2.gz GDJVVIMTTHUNOP-HXUWFJFHSA-N 2 2 327.472 3.305 20 0 EGADLP Cc1ccc(CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CCCO2)cc1 ZINC000182802868 455167087 /nfs/dbraw/zinc/16/70/87/455167087.db2.gz GDJVVIMTTHUNOP-HXUWFJFHSA-N 2 2 327.472 3.305 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157300924 455181153 /nfs/dbraw/zinc/18/11/53/455181153.db2.gz ZTBOBBWFKUYBKD-MOPGFXCFSA-N 2 2 343.515 3.378 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157300924 455181156 /nfs/dbraw/zinc/18/11/56/455181156.db2.gz ZTBOBBWFKUYBKD-MOPGFXCFSA-N 2 2 343.515 3.378 20 0 EGADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237561734 455195531 /nfs/dbraw/zinc/19/55/31/455195531.db2.gz VQSPGNJBMGQMBD-QWHCGFSZSA-N 2 2 345.830 3.350 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157494582 455199806 /nfs/dbraw/zinc/19/98/06/455199806.db2.gz HQJIHZXONVHKAW-YLJYHZDGSA-N 2 2 342.487 3.097 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000190316337 455296742 /nfs/dbraw/zinc/29/67/42/455296742.db2.gz GBTHSIDBLPCUEU-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000190316337 455296747 /nfs/dbraw/zinc/29/67/47/455296747.db2.gz GBTHSIDBLPCUEU-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000190316337 455296748 /nfs/dbraw/zinc/29/67/48/455296748.db2.gz GBTHSIDBLPCUEU-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000190316337 455296750 /nfs/dbraw/zinc/29/67/50/455296750.db2.gz GBTHSIDBLPCUEU-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000245443762 455301195 /nfs/dbraw/zinc/30/11/95/455301195.db2.gz JCLMODVSWRPROC-SJORKVTESA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000245443762 455301199 /nfs/dbraw/zinc/30/11/99/455301199.db2.gz JCLMODVSWRPROC-SJORKVTESA-N 2 2 347.478 3.269 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245456818 455306104 /nfs/dbraw/zinc/30/61/04/455306104.db2.gz TZNZHTDFIYSURS-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245456818 455306107 /nfs/dbraw/zinc/30/61/07/455306107.db2.gz TZNZHTDFIYSURS-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245456818 455306110 /nfs/dbraw/zinc/30/61/10/455306110.db2.gz TZNZHTDFIYSURS-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245456818 455306111 /nfs/dbraw/zinc/30/61/11/455306111.db2.gz TZNZHTDFIYSURS-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181308011 455316029 /nfs/dbraw/zinc/31/60/29/455316029.db2.gz KNFFNORHQSKLHR-JTNHKYCSSA-N 2 2 332.414 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181308011 455316035 /nfs/dbraw/zinc/31/60/35/455316035.db2.gz KNFFNORHQSKLHR-JTNHKYCSSA-N 2 2 332.414 3.196 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946198 455343939 /nfs/dbraw/zinc/34/39/39/455343939.db2.gz MMYTVOHSGBSFIP-KRWDZBQOSA-N 2 2 348.450 3.182 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946198 455343944 /nfs/dbraw/zinc/34/39/44/455343944.db2.gz MMYTVOHSGBSFIP-KRWDZBQOSA-N 2 2 348.450 3.182 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006875 455344539 /nfs/dbraw/zinc/34/45/39/455344539.db2.gz XUPCONUKYLFKDI-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006875 455344544 /nfs/dbraw/zinc/34/45/44/455344544.db2.gz XUPCONUKYLFKDI-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006875 455344548 /nfs/dbraw/zinc/34/45/48/455344548.db2.gz XUPCONUKYLFKDI-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006875 455344551 /nfs/dbraw/zinc/34/45/51/455344551.db2.gz XUPCONUKYLFKDI-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000181569555 455356849 /nfs/dbraw/zinc/35/68/49/455356849.db2.gz QWCGLJKIUMRTPB-OAQYLSRUSA-N 2 2 333.435 3.316 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCO[C@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000181569555 455356853 /nfs/dbraw/zinc/35/68/53/455356853.db2.gz QWCGLJKIUMRTPB-OAQYLSRUSA-N 2 2 333.435 3.316 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958096 455404608 /nfs/dbraw/zinc/40/46/08/455404608.db2.gz ITXANKGPIFSSQL-WMLDXEAASA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000246010011 455413640 /nfs/dbraw/zinc/41/36/40/455413640.db2.gz IAWKCLSRBLOOGR-NTDBWNAOSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000246010011 455413642 /nfs/dbraw/zinc/41/36/42/455413642.db2.gz IAWKCLSRBLOOGR-NTDBWNAOSA-N 2 2 326.488 3.227 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139128 455434709 /nfs/dbraw/zinc/43/47/09/455434709.db2.gz CXMZQOFRILDFRW-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139128 455434712 /nfs/dbraw/zinc/43/47/12/455434712.db2.gz CXMZQOFRILDFRW-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254347 455458624 /nfs/dbraw/zinc/45/86/24/455458624.db2.gz XCCHEDUWEAQXOE-HOTGVXAUSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254347 455458629 /nfs/dbraw/zinc/45/86/29/455458629.db2.gz XCCHEDUWEAQXOE-HOTGVXAUSA-N 2 2 349.906 3.393 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000191512152 455493518 /nfs/dbraw/zinc/49/35/18/455493518.db2.gz JQYZCEDCUAHORQ-UHFFFAOYSA-N 2 2 325.460 3.314 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000191512152 455493519 /nfs/dbraw/zinc/49/35/19/455493519.db2.gz JQYZCEDCUAHORQ-UHFFFAOYSA-N 2 2 325.460 3.314 20 0 EGADLP Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000191583755 455499616 /nfs/dbraw/zinc/49/96/16/455499616.db2.gz BRDMYJGIZDSSTD-XLIONFOSSA-N 2 2 335.451 3.435 20 0 EGADLP c1cn(CCCN2CC[NH+](Cc3cccc4ccccc43)CC2)c[nH+]1 ZINC000182624570 455554811 /nfs/dbraw/zinc/55/48/11/455554811.db2.gz AHSWLNNBJAPNQJ-UHFFFAOYSA-N 2 2 334.467 3.244 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000247138886 455565316 /nfs/dbraw/zinc/56/53/16/455565316.db2.gz WBGGPKDBIBWELF-JYRKZWEQSA-N 2 2 329.532 3.450 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000247138886 455565317 /nfs/dbraw/zinc/56/53/17/455565317.db2.gz WBGGPKDBIBWELF-JYRKZWEQSA-N 2 2 329.532 3.450 20 0 EGADLP Clc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1Br ZINC000192165163 455567679 /nfs/dbraw/zinc/56/76/79/455567679.db2.gz SBHBIDBWXIZBNZ-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247210969 455573521 /nfs/dbraw/zinc/57/35/21/455573521.db2.gz CJJSENGFGMBAST-SJLPKXTDSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247210969 455573524 /nfs/dbraw/zinc/57/35/24/455573524.db2.gz CJJSENGFGMBAST-SJLPKXTDSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247210969 455573526 /nfs/dbraw/zinc/57/35/26/455573526.db2.gz CJJSENGFGMBAST-SJLPKXTDSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247210969 455573528 /nfs/dbraw/zinc/57/35/28/455573528.db2.gz CJJSENGFGMBAST-SJLPKXTDSA-N 2 2 331.504 3.382 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993261 455620439 /nfs/dbraw/zinc/62/04/39/455620439.db2.gz HLBJOGQFJJCMSE-ROUUACIJSA-N 2 2 345.487 3.114 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993261 455620446 /nfs/dbraw/zinc/62/04/46/455620446.db2.gz HLBJOGQFJJCMSE-ROUUACIJSA-N 2 2 345.487 3.114 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247550662 455623552 /nfs/dbraw/zinc/62/35/52/455623552.db2.gz PWZMPQCMIISRRO-ZWKOTPCHSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247550662 455623555 /nfs/dbraw/zinc/62/35/55/455623555.db2.gz PWZMPQCMIISRRO-ZWKOTPCHSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000247550662 455623560 /nfs/dbraw/zinc/62/35/60/455623560.db2.gz PWZMPQCMIISRRO-ZWKOTPCHSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000247550662 455623561 /nfs/dbraw/zinc/62/35/61/455623561.db2.gz PWZMPQCMIISRRO-ZWKOTPCHSA-N 2 2 331.504 3.234 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292315291 455626691 /nfs/dbraw/zinc/62/66/91/455626691.db2.gz WIQSUHIGBOYNAV-IONDEXAJSA-N 2 2 332.463 3.366 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292315291 455626695 /nfs/dbraw/zinc/62/66/95/455626695.db2.gz WIQSUHIGBOYNAV-IONDEXAJSA-N 2 2 332.463 3.366 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)no1 ZINC000284338712 455670235 /nfs/dbraw/zinc/67/02/35/455670235.db2.gz XRFXIDLWYMVRCB-OAHLLOKOSA-N 2 2 329.444 3.307 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248179710 455694734 /nfs/dbraw/zinc/69/47/34/455694734.db2.gz WESYGGOQZNJSMR-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248179710 455694737 /nfs/dbraw/zinc/69/47/37/455694737.db2.gz WESYGGOQZNJSMR-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248179710 455694740 /nfs/dbraw/zinc/69/47/40/455694740.db2.gz WESYGGOQZNJSMR-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248179710 455694743 /nfs/dbraw/zinc/69/47/43/455694743.db2.gz WESYGGOQZNJSMR-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP O[C@@H](C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000271619797 455701774 /nfs/dbraw/zinc/70/17/74/455701774.db2.gz XDGYYWROUIUXEK-IBGZPJMESA-N 2 2 346.421 3.101 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2cccnc2)cc1 ZINC000271741449 455742051 /nfs/dbraw/zinc/74/20/51/455742051.db2.gz WMROWVLNCTXYOP-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2cccnc2)cc1 ZINC000271741449 455742055 /nfs/dbraw/zinc/74/20/55/455742055.db2.gz WMROWVLNCTXYOP-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779721 455755014 /nfs/dbraw/zinc/75/50/14/455755014.db2.gz TZMVWJOVBYLCJG-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779721 455755016 /nfs/dbraw/zinc/75/50/16/455755016.db2.gz TZMVWJOVBYLCJG-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271788067 455759479 /nfs/dbraw/zinc/75/94/79/455759479.db2.gz WJJOCPVHIWZUEI-MAUKXSAKSA-N 2 2 327.428 3.209 20 0 EGADLP CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000186425216 455765018 /nfs/dbraw/zinc/76/50/18/455765018.db2.gz PIFXPXRDFVZATI-UHFFFAOYSA-N 2 2 340.427 3.465 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250376862 455787463 /nfs/dbraw/zinc/78/74/63/455787463.db2.gz JCUOTAAKEBVLLV-KGLIPLIRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250376862 455787466 /nfs/dbraw/zinc/78/74/66/455787466.db2.gz JCUOTAAKEBVLLV-KGLIPLIRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccsc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269123518 455794130 /nfs/dbraw/zinc/79/41/30/455794130.db2.gz GKMSMPZUFLWOHL-UHFFFAOYSA-N 2 2 346.500 3.294 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271953905 455803890 /nfs/dbraw/zinc/80/38/90/455803890.db2.gz CHMPDFKQVMCLHK-UYAOXDASSA-N 2 2 331.504 3.229 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)s1 ZINC000252551431 455822008 /nfs/dbraw/zinc/82/20/08/455822008.db2.gz PPVPCMYKHVARPJ-SRVKXCTJSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)s1 ZINC000252551431 455822015 /nfs/dbraw/zinc/82/20/15/455822015.db2.gz PPVPCMYKHVARPJ-SRVKXCTJSA-N 2 2 345.306 3.024 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802758 455830150 /nfs/dbraw/zinc/83/01/50/455830150.db2.gz USWHTCYDTKUDKI-GUYCJALGSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802758 455830154 /nfs/dbraw/zinc/83/01/54/455830154.db2.gz USWHTCYDTKUDKI-GUYCJALGSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252802758 455830159 /nfs/dbraw/zinc/83/01/59/455830159.db2.gz USWHTCYDTKUDKI-GUYCJALGSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252802758 455830165 /nfs/dbraw/zinc/83/01/65/455830165.db2.gz USWHTCYDTKUDKI-GUYCJALGSA-N 2 2 336.911 3.085 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000285523640 455863570 /nfs/dbraw/zinc/86/35/70/455863570.db2.gz RWRKCIZLLAHYFM-OAHLLOKOSA-N 2 2 347.894 3.051 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000285523640 455863571 /nfs/dbraw/zinc/86/35/71/455863571.db2.gz RWRKCIZLLAHYFM-OAHLLOKOSA-N 2 2 347.894 3.051 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165511 455864364 /nfs/dbraw/zinc/86/43/64/455864364.db2.gz GPIOWOCRTAHRKZ-HKUYNNGSSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272165511 455864368 /nfs/dbraw/zinc/86/43/68/455864368.db2.gz GPIOWOCRTAHRKZ-HKUYNNGSSA-N 2 2 334.467 3.335 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000272255516 455893605 /nfs/dbraw/zinc/89/36/05/455893605.db2.gz ISLBEAXJCCIEHM-AYHJJNSGSA-N 2 2 345.487 3.453 20 0 EGADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCC1 ZINC000261427658 455904012 /nfs/dbraw/zinc/90/40/12/455904012.db2.gz HIAKSLAQDHHSIC-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCC1 ZINC000261427658 455904018 /nfs/dbraw/zinc/90/40/18/455904018.db2.gz HIAKSLAQDHHSIC-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1C ZINC000285718569 455904627 /nfs/dbraw/zinc/90/46/27/455904627.db2.gz QAVPGBJIDPXTTF-QBUWPKIASA-N 2 2 343.515 3.038 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1C ZINC000285718569 455904632 /nfs/dbraw/zinc/90/46/32/455904632.db2.gz QAVPGBJIDPXTTF-QBUWPKIASA-N 2 2 343.515 3.038 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3Cl)C[C@@H]12 ZINC000261579730 455908646 /nfs/dbraw/zinc/90/86/46/455908646.db2.gz PRTAEJFLDLOZPA-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP c1c[nH+]c([C@H](NC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)[nH]1 ZINC000194957551 455906062 /nfs/dbraw/zinc/90/60/62/455906062.db2.gz YQDWCCZRVCMBHA-HXUWFJFHSA-N 2 2 347.466 3.148 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3Cl)C[C@@H]12 ZINC000261579730 455908651 /nfs/dbraw/zinc/90/86/51/455908651.db2.gz PRTAEJFLDLOZPA-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP C[N@H+](CCCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)C1CCCCC1 ZINC000194971323 455908224 /nfs/dbraw/zinc/90/82/24/455908224.db2.gz ZMYIEKLZWOUHGR-SFHVURJKSA-N 2 2 327.476 3.138 20 0 EGADLP C[N@@H+](CCCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)C1CCCCC1 ZINC000194971323 455908227 /nfs/dbraw/zinc/90/82/27/455908227.db2.gz ZMYIEKLZWOUHGR-SFHVURJKSA-N 2 2 327.476 3.138 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000261590264 455909857 /nfs/dbraw/zinc/90/98/57/455909857.db2.gz LFMAIDRBKLSVHI-CQSZACIVSA-N 2 2 347.684 3.152 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000261590264 455909864 /nfs/dbraw/zinc/90/98/64/455909864.db2.gz LFMAIDRBKLSVHI-CQSZACIVSA-N 2 2 347.684 3.152 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000261650470 455921326 /nfs/dbraw/zinc/92/13/26/455921326.db2.gz DDTHOYQIPSWPOG-MRXNPFEDSA-N 2 2 334.261 3.168 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000261650470 455921330 /nfs/dbraw/zinc/92/13/30/455921330.db2.gz DDTHOYQIPSWPOG-MRXNPFEDSA-N 2 2 334.261 3.168 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000261660471 455923530 /nfs/dbraw/zinc/92/35/30/455923530.db2.gz FPDGEXWJPSVDFM-AEFFLSMTSA-N 2 2 338.879 3.069 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000261660471 455923533 /nfs/dbraw/zinc/92/35/33/455923533.db2.gz FPDGEXWJPSVDFM-AEFFLSMTSA-N 2 2 338.879 3.069 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000285848618 455927741 /nfs/dbraw/zinc/92/77/41/455927741.db2.gz XSUQDKWQTYHTAD-GFCCVEGCSA-N 2 2 329.425 3.076 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261797397 455949801 /nfs/dbraw/zinc/94/98/01/455949801.db2.gz YJPOAMLCEPLXMQ-GXTWGEPZSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261797397 455949809 /nfs/dbraw/zinc/94/98/09/455949809.db2.gz YJPOAMLCEPLXMQ-GXTWGEPZSA-N 2 2 346.272 3.039 20 0 EGADLP C[C@@H](c1nc(C2([NH3+])CCC2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000261804143 455951248 /nfs/dbraw/zinc/95/12/48/455951248.db2.gz PHTOBCXJBVGBBK-HNNXBMFYSA-N 2 2 340.471 3.423 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H](O)c1ccc(F)cc1 ZINC000272513046 455977971 /nfs/dbraw/zinc/97/79/71/455977971.db2.gz GQQWVIQHDFADRF-WBMJQRKESA-N 2 2 348.384 3.254 20 0 EGADLP Cc1cccc2nc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)cn21 ZINC000272607634 456011272 /nfs/dbraw/zinc/01/12/72/456011272.db2.gz VNROLVFTHLTJCD-UHFFFAOYSA-N 2 2 340.393 3.149 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650008 456025388 /nfs/dbraw/zinc/02/53/88/456025388.db2.gz PRGTXDPAKTVSPN-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650008 456025390 /nfs/dbraw/zinc/02/53/90/456025390.db2.gz PRGTXDPAKTVSPN-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650008 456025392 /nfs/dbraw/zinc/02/53/92/456025392.db2.gz PRGTXDPAKTVSPN-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)[C@@H]2C1 ZINC000272650008 456025394 /nfs/dbraw/zinc/02/53/94/456025394.db2.gz PRGTXDPAKTVSPN-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+](C)Cc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272674275 456035283 /nfs/dbraw/zinc/03/52/83/456035283.db2.gz LRVCMUUCOFSPLD-UHFFFAOYSA-N 3 2 343.437 3.255 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272676141 456036037 /nfs/dbraw/zinc/03/60/37/456036037.db2.gz UOZGYQGPHGVZGY-UZLBHIALSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272676141 456036041 /nfs/dbraw/zinc/03/60/41/456036041.db2.gz UOZGYQGPHGVZGY-UZLBHIALSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272676141 456036045 /nfs/dbraw/zinc/03/60/45/456036045.db2.gz UOZGYQGPHGVZGY-UZLBHIALSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272676141 456036050 /nfs/dbraw/zinc/03/60/50/456036050.db2.gz UOZGYQGPHGVZGY-UZLBHIALSA-N 2 2 342.462 3.154 20 0 EGADLP C[N@H+](CCNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccccc1 ZINC000301285070 456080632 /nfs/dbraw/zinc/08/06/32/456080632.db2.gz ZABTXUMHKOCNBK-UHFFFAOYSA-N 2 2 325.460 3.011 20 0 EGADLP C[N@@H+](CCNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccccc1 ZINC000301285070 456080636 /nfs/dbraw/zinc/08/06/36/456080636.db2.gz ZABTXUMHKOCNBK-UHFFFAOYSA-N 2 2 325.460 3.011 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000271176528 456156761 /nfs/dbraw/zinc/15/67/61/456156761.db2.gz CXUKNHXYSLCKGG-UHFFFAOYSA-N 2 2 345.443 3.055 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H](O)c1c(F)cccc1F ZINC000271204908 456172256 /nfs/dbraw/zinc/17/22/56/456172256.db2.gz BYKDCIQAWRNUQC-CRAIPNDOSA-N 2 2 331.366 3.214 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000236778262 456182809 /nfs/dbraw/zinc/18/28/09/456182809.db2.gz MEIHSFCIIOQOFJ-PBHICJAKSA-N 2 2 337.895 3.063 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000271278089 456202961 /nfs/dbraw/zinc/20/29/61/456202961.db2.gz LKCOQBQKQUHAIZ-KDOFPFPSSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000271278089 456202965 /nfs/dbraw/zinc/20/29/65/456202965.db2.gz LKCOQBQKQUHAIZ-KDOFPFPSSA-N 2 2 344.890 3.436 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281384023 456218615 /nfs/dbraw/zinc/21/86/15/456218615.db2.gz PHBNSRPXPGXFRN-CYBMUJFWSA-N 2 2 341.858 3.224 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281384023 456218619 /nfs/dbraw/zinc/21/86/19/456218619.db2.gz PHBNSRPXPGXFRN-CYBMUJFWSA-N 2 2 341.858 3.224 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237083729 456229008 /nfs/dbraw/zinc/22/90/08/456229008.db2.gz GALMAKXXCLCFDO-OAHLLOKOSA-N 2 2 338.377 3.075 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237083729 456229013 /nfs/dbraw/zinc/22/90/13/456229013.db2.gz GALMAKXXCLCFDO-OAHLLOKOSA-N 2 2 338.377 3.075 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000297480559 456231682 /nfs/dbraw/zinc/23/16/82/456231682.db2.gz ZFNPEYBCYAYGON-WBVHZDCISA-N 2 2 345.487 3.179 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)[nH]1 ZINC000333616477 456241597 /nfs/dbraw/zinc/24/15/97/456241597.db2.gz XRSFIAXOPSTQOJ-INIZCTEOSA-N 2 2 327.428 3.341 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)[nH]1 ZINC000333616477 456241600 /nfs/dbraw/zinc/24/16/00/456241600.db2.gz XRSFIAXOPSTQOJ-INIZCTEOSA-N 2 2 327.428 3.341 20 0 EGADLP Cn1cc([C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccc(F)cc2)cn1 ZINC000189239352 456262610 /nfs/dbraw/zinc/26/26/10/456262610.db2.gz SKWZERAJVKGGAY-IBGZPJMESA-N 2 2 330.451 3.114 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c2ccccc21 ZINC000333838508 456267956 /nfs/dbraw/zinc/26/79/56/456267956.db2.gz NUDBMOJGKOXEFG-QYZOEREBSA-N 2 2 327.472 3.045 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000342870605 456285328 /nfs/dbraw/zinc/28/53/28/456285328.db2.gz GJJCAJQPILMSCQ-HXUWFJFHSA-N 2 2 348.450 3.213 20 0 EGADLP COc1cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccccc2n1 ZINC000352775793 456295247 /nfs/dbraw/zinc/29/52/47/456295247.db2.gz SMLGSGYQTPNKKJ-UHFFFAOYSA-N 2 2 342.468 3.051 20 0 EGADLP CN(C(=O)C[N@H+](C)Cc1ccccc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352786661 456306627 /nfs/dbraw/zinc/30/66/27/456306627.db2.gz ADYQMWBPYNSSPA-HXUWFJFHSA-N 2 2 348.450 3.090 20 0 EGADLP CN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352786661 456306632 /nfs/dbraw/zinc/30/66/32/456306632.db2.gz ADYQMWBPYNSSPA-HXUWFJFHSA-N 2 2 348.450 3.090 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1OC ZINC000336789526 456307911 /nfs/dbraw/zinc/30/79/11/456307911.db2.gz JHZZXZPBRLUSPE-APWZRJJASA-N 2 2 340.467 3.456 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1OC ZINC000336789526 456307917 /nfs/dbraw/zinc/30/79/17/456307917.db2.gz JHZZXZPBRLUSPE-APWZRJJASA-N 2 2 340.467 3.456 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)oc1C ZINC000352795756 456316286 /nfs/dbraw/zinc/31/62/86/456316286.db2.gz FFDQKZOYTYURME-QGZVFWFLSA-N 2 2 348.487 3.319 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)oc1C ZINC000352795756 456316288 /nfs/dbraw/zinc/31/62/88/456316288.db2.gz FFDQKZOYTYURME-QGZVFWFLSA-N 2 2 348.487 3.319 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc12 ZINC000352800813 456320539 /nfs/dbraw/zinc/32/05/39/456320539.db2.gz QAXTXNLRVMYPSW-NVXWUHKLSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc12 ZINC000352800813 456320545 /nfs/dbraw/zinc/32/05/45/456320545.db2.gz QAXTXNLRVMYPSW-NVXWUHKLSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc12 ZINC000352800813 456320550 /nfs/dbraw/zinc/32/05/50/456320550.db2.gz QAXTXNLRVMYPSW-NVXWUHKLSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc12 ZINC000352800813 456320552 /nfs/dbraw/zinc/32/05/52/456320552.db2.gz QAXTXNLRVMYPSW-NVXWUHKLSA-N 2 2 341.503 3.353 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc2[nH+]ccn21 ZINC000342934040 456322843 /nfs/dbraw/zinc/32/28/43/456322843.db2.gz QEDPLALJINQMDX-ROUUACIJSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc2[nH+]ccn21 ZINC000342934040 456322847 /nfs/dbraw/zinc/32/28/47/456322847.db2.gz QEDPLALJINQMDX-ROUUACIJSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCOC2(C)C)CCOCC1)c1ccccc1 ZINC000340247225 456339941 /nfs/dbraw/zinc/33/99/41/456339941.db2.gz JXUOTUNUVSWONN-WMZOPIPTSA-N 2 2 332.488 3.044 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cscc2C(F)(F)F)C[C@@H](C)O1 ZINC000352834037 456348072 /nfs/dbraw/zinc/34/80/72/456348072.db2.gz JYODBZVVRVBSGX-VXGBXAGGSA-N 2 2 336.423 3.356 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939542 456354049 /nfs/dbraw/zinc/35/40/49/456354049.db2.gz YROYKDYFBLYNCV-UXHICEINSA-N 2 2 341.503 3.182 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939542 456354051 /nfs/dbraw/zinc/35/40/51/456354051.db2.gz YROYKDYFBLYNCV-UXHICEINSA-N 2 2 341.503 3.182 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000290537019 456357901 /nfs/dbraw/zinc/35/79/01/456357901.db2.gz YNBYYGHZESDTPH-GOSISDBHSA-N 2 2 333.426 3.493 20 0 EGADLP COc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1OC ZINC000290566924 456368140 /nfs/dbraw/zinc/36/81/40/456368140.db2.gz SSJPMZDOSUZXFU-UHFFFAOYSA-N 2 2 344.455 3.393 20 0 EGADLP COc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1OC ZINC000290566924 456368145 /nfs/dbraw/zinc/36/81/45/456368145.db2.gz SSJPMZDOSUZXFU-UHFFFAOYSA-N 2 2 344.455 3.393 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302805947 456405429 /nfs/dbraw/zinc/40/54/29/456405429.db2.gz WXJPJCNZQDXGMH-MRXNPFEDSA-N 2 2 349.548 3.096 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302805947 456405435 /nfs/dbraw/zinc/40/54/35/456405435.db2.gz WXJPJCNZQDXGMH-MRXNPFEDSA-N 2 2 349.548 3.096 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302805947 456405443 /nfs/dbraw/zinc/40/54/43/456405443.db2.gz WXJPJCNZQDXGMH-MRXNPFEDSA-N 2 2 349.548 3.096 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302805947 456405446 /nfs/dbraw/zinc/40/54/46/456405446.db2.gz WXJPJCNZQDXGMH-MRXNPFEDSA-N 2 2 349.548 3.096 20 0 EGADLP Cc1ccc(C)n1C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347854527 456407215 /nfs/dbraw/zinc/40/72/15/456407215.db2.gz RJBVJKRFJHRPLM-UHFFFAOYSA-N 2 2 332.517 3.460 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000343110756 456411947 /nfs/dbraw/zinc/41/19/47/456411947.db2.gz STSHTHGOWVBMMF-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP CC(C)c1nc(NCCC[NH+]2CCC(O)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302880471 456424973 /nfs/dbraw/zinc/42/49/73/456424973.db2.gz HONSQWMUFNRECO-UHFFFAOYSA-N 2 2 334.508 3.156 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CCCC2 ZINC000340391188 456433111 /nfs/dbraw/zinc/43/31/11/456433111.db2.gz RZPRLHFWLPSOIE-XLIONFOSSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CCCC2 ZINC000340391188 456433119 /nfs/dbraw/zinc/43/31/19/456433119.db2.gz RZPRLHFWLPSOIE-XLIONFOSSA-N 2 2 338.499 3.224 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000353000229 456438916 /nfs/dbraw/zinc/43/89/16/456438916.db2.gz QTGWJDWYCKGEBN-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000353000229 456438920 /nfs/dbraw/zinc/43/89/20/456438920.db2.gz QTGWJDWYCKGEBN-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000353000229 456438922 /nfs/dbraw/zinc/43/89/22/456438922.db2.gz QTGWJDWYCKGEBN-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000353000229 456438924 /nfs/dbraw/zinc/43/89/24/456438924.db2.gz QTGWJDWYCKGEBN-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1C ZINC000282223605 456447398 /nfs/dbraw/zinc/44/73/98/456447398.db2.gz PACLTUZXWRFXQC-AOIWGVFYSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1C ZINC000282223605 456447402 /nfs/dbraw/zinc/44/74/02/456447402.db2.gz PACLTUZXWRFXQC-AOIWGVFYSA-N 2 2 326.488 3.432 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H]1SC ZINC000298557653 456489725 /nfs/dbraw/zinc/48/97/25/456489725.db2.gz VOJALWTVHUHOBW-KBAYOESNSA-N 2 2 333.501 3.233 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@H+](C)[C@H]3CCSC3)cc2[nH+]1 ZINC000343318515 456528146 /nfs/dbraw/zinc/52/81/46/456528146.db2.gz IDFOKTHLKUIYSF-AWEZNQCLSA-N 2 2 346.500 3.281 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@@H+](C)[C@H]3CCSC3)cc2[nH+]1 ZINC000343318515 456528151 /nfs/dbraw/zinc/52/81/51/456528151.db2.gz IDFOKTHLKUIYSF-AWEZNQCLSA-N 2 2 346.500 3.281 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000340583426 456546324 /nfs/dbraw/zinc/54/63/24/456546324.db2.gz MVFRXVMPYBPIHE-YGRLFVJLSA-N 2 2 338.224 3.450 20 0 EGADLP CSC1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC[NH+](C)CC1 ZINC000353233347 456576134 /nfs/dbraw/zinc/57/61/34/456576134.db2.gz XDJXXNDIYWNUAC-UHFFFAOYSA-N 3 2 344.528 3.098 20 0 EGADLP C[C@@H](c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276986899 456641198 /nfs/dbraw/zinc/64/11/98/456641198.db2.gz WUMUYXWGHDLGFJ-MCIONIFRSA-N 2 2 338.415 3.251 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1ncc(C[NH+](C)C)s1 ZINC000348355140 456644254 /nfs/dbraw/zinc/64/42/54/456644254.db2.gz KSIHSZJUKWQBBI-HNNXBMFYSA-N 2 2 333.505 3.148 20 0 EGADLP c1nn2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282859588 456648080 /nfs/dbraw/zinc/64/80/80/456648080.db2.gz XBUHMYUDHMOGKT-MRXNPFEDSA-N 2 2 335.455 3.247 20 0 EGADLP c1nn2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282859588 456648083 /nfs/dbraw/zinc/64/80/83/456648083.db2.gz XBUHMYUDHMOGKT-MRXNPFEDSA-N 2 2 335.455 3.247 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660630 /nfs/dbraw/zinc/66/06/30/456660630.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660634 /nfs/dbraw/zinc/66/06/34/456660634.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660639 /nfs/dbraw/zinc/66/06/39/456660639.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000343497160 456660641 /nfs/dbraw/zinc/66/06/41/456660641.db2.gz JYIZNRVHWYGSLO-LQWHRVPQSA-N 3 2 329.532 3.348 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277199708 456720401 /nfs/dbraw/zinc/72/04/01/456720401.db2.gz MMKJEONVOPKQJC-MRXNPFEDSA-N 2 2 335.517 3.376 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277199708 456720408 /nfs/dbraw/zinc/72/04/08/456720408.db2.gz MMKJEONVOPKQJC-MRXNPFEDSA-N 2 2 335.517 3.376 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000277220169 456730691 /nfs/dbraw/zinc/73/06/91/456730691.db2.gz NVWYJYLEYGFUSX-KRWDZBQOSA-N 2 2 338.499 3.277 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000277220169 456730694 /nfs/dbraw/zinc/73/06/94/456730694.db2.gz NVWYJYLEYGFUSX-KRWDZBQOSA-N 2 2 338.499 3.277 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353537333 456741875 /nfs/dbraw/zinc/74/18/75/456741875.db2.gz ZWLLQFOMAQKEQO-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353537333 456741878 /nfs/dbraw/zinc/74/18/78/456741878.db2.gz ZWLLQFOMAQKEQO-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353537333 456741883 /nfs/dbraw/zinc/74/18/83/456741883.db2.gz ZWLLQFOMAQKEQO-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353537333 456741886 /nfs/dbraw/zinc/74/18/86/456741886.db2.gz ZWLLQFOMAQKEQO-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544158 456747374 /nfs/dbraw/zinc/74/73/74/456747374.db2.gz AUQQHVLQENGWCY-ZHALLVOQSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544158 456747380 /nfs/dbraw/zinc/74/73/80/456747380.db2.gz AUQQHVLQENGWCY-ZHALLVOQSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544158 456747392 /nfs/dbraw/zinc/74/73/92/456747392.db2.gz AUQQHVLQENGWCY-ZHALLVOQSA-N 2 2 349.519 3.117 20 0 EGADLP COCC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCCCC1 ZINC000353557724 456760080 /nfs/dbraw/zinc/76/00/80/456760080.db2.gz IGNUNJKRLACKKH-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000338304797 456761886 /nfs/dbraw/zinc/76/18/86/456761886.db2.gz HRHIWDOGRSGHIA-QGZVFWFLSA-N 2 2 336.439 3.418 20 0 EGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000338304797 456761894 /nfs/dbraw/zinc/76/18/94/456761894.db2.gz HRHIWDOGRSGHIA-QGZVFWFLSA-N 2 2 336.439 3.418 20 0 EGADLP CC[N@H+](CCCNC(=O)NC[C@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000348571983 456773670 /nfs/dbraw/zinc/77/36/70/456773670.db2.gz VOWAJNLQTCQJOQ-LJQANCHMSA-N 2 2 346.519 3.077 20 0 EGADLP CC[N@@H+](CCCNC(=O)NC[C@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000348571983 456773673 /nfs/dbraw/zinc/77/36/73/456773673.db2.gz VOWAJNLQTCQJOQ-LJQANCHMSA-N 2 2 346.519 3.077 20 0 EGADLP CC[NH+](CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000348571983 456773678 /nfs/dbraw/zinc/77/36/78/456773678.db2.gz VOWAJNLQTCQJOQ-LJQANCHMSA-N 2 2 346.519 3.077 20 0 EGADLP CC[NH+](CCCNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000348571983 456773683 /nfs/dbraw/zinc/77/36/83/456773683.db2.gz VOWAJNLQTCQJOQ-LJQANCHMSA-N 2 2 346.519 3.077 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329137 456779919 /nfs/dbraw/zinc/77/99/19/456779919.db2.gz VLSDUUODHUVGDU-RLLQIKCJSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329137 456779922 /nfs/dbraw/zinc/77/99/22/456779922.db2.gz VLSDUUODHUVGDU-RLLQIKCJSA-N 2 2 345.531 3.449 20 0 EGADLP c1cn2c(cccc2C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000348646183 456799330 /nfs/dbraw/zinc/79/93/30/456799330.db2.gz PAHWNTMFXAAZMC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2c(cccc2C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000348646183 456799334 /nfs/dbraw/zinc/79/93/34/456799334.db2.gz PAHWNTMFXAAZMC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000348646183 456799340 /nfs/dbraw/zinc/79/93/40/456799340.db2.gz PAHWNTMFXAAZMC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000348646183 456799345 /nfs/dbraw/zinc/79/93/45/456799345.db2.gz PAHWNTMFXAAZMC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ncccc2N(C)C)CC1 ZINC000353609155 456800688 /nfs/dbraw/zinc/80/06/88/456800688.db2.gz AROODBQDXGMDRN-QFBILLFUSA-N 2 2 330.520 3.280 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622392 456810763 /nfs/dbraw/zinc/81/07/63/456810763.db2.gz IPMSIJAKUIQNIH-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622392 456810769 /nfs/dbraw/zinc/81/07/69/456810769.db2.gz IPMSIJAKUIQNIH-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)nc(C(C)C)[nH+]1 ZINC000301168740 456811694 /nfs/dbraw/zinc/81/16/94/456811694.db2.gz WDHRPPBSIGCAOW-UHFFFAOYSA-N 2 2 331.489 3.077 20 0 EGADLP Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)nc(C(C)C)[nH+]1 ZINC000301168740 456811699 /nfs/dbraw/zinc/81/16/99/456811699.db2.gz WDHRPPBSIGCAOW-UHFFFAOYSA-N 2 2 331.489 3.077 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000277401813 456812538 /nfs/dbraw/zinc/81/25/38/456812538.db2.gz ZNISOSHFSNXVCN-SFHVURJKSA-N 2 2 331.504 3.339 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000277401813 456812543 /nfs/dbraw/zinc/81/25/43/456812543.db2.gz ZNISOSHFSNXVCN-SFHVURJKSA-N 2 2 331.504 3.339 20 0 EGADLP CC[C@@H]1CN(CCCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000353638390 456821052 /nfs/dbraw/zinc/82/10/52/456821052.db2.gz QYBWFINLKJIFNG-HXUWFJFHSA-N 2 2 326.488 3.178 20 0 EGADLP CC[C@@H]1CN(CCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000353638390 456821058 /nfs/dbraw/zinc/82/10/58/456821058.db2.gz QYBWFINLKJIFNG-HXUWFJFHSA-N 2 2 326.488 3.178 20 0 EGADLP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCN1Cc1ccccc1 ZINC000353638390 456821063 /nfs/dbraw/zinc/82/10/63/456821063.db2.gz QYBWFINLKJIFNG-HXUWFJFHSA-N 2 2 326.488 3.178 20 0 EGADLP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCN1Cc1ccccc1 ZINC000353638390 456821065 /nfs/dbraw/zinc/82/10/65/456821065.db2.gz QYBWFINLKJIFNG-HXUWFJFHSA-N 2 2 326.488 3.178 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752709 456841373 /nfs/dbraw/zinc/84/13/73/456841373.db2.gz HCQPPZWKUOMWHL-ADNDVJRGSA-N 2 2 327.394 3.223 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752709 456841375 /nfs/dbraw/zinc/84/13/75/456841375.db2.gz HCQPPZWKUOMWHL-ADNDVJRGSA-N 2 2 327.394 3.223 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1sccc1C[NH+](C)C ZINC000277525085 456852629 /nfs/dbraw/zinc/85/26/29/456852629.db2.gz KULZBIWBZPWHPC-UHFFFAOYSA-N 2 2 348.516 3.121 20 0 EGADLP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341513984 456872760 /nfs/dbraw/zinc/87/27/60/456872760.db2.gz UYUVXSRZXSFFAB-XLIONFOSSA-N 2 2 331.504 3.231 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751837 456889857 /nfs/dbraw/zinc/88/98/57/456889857.db2.gz KNDMXBZOGWMISN-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751837 456889861 /nfs/dbraw/zinc/88/98/61/456889861.db2.gz KNDMXBZOGWMISN-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751837 456889866 /nfs/dbraw/zinc/88/98/66/456889866.db2.gz KNDMXBZOGWMISN-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751837 456889869 /nfs/dbraw/zinc/88/98/69/456889869.db2.gz KNDMXBZOGWMISN-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000345044858 456908021 /nfs/dbraw/zinc/90/80/21/456908021.db2.gz RQAYSKXRHMKSDU-UHFFFAOYSA-N 2 2 340.471 3.175 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000345044858 456908024 /nfs/dbraw/zinc/90/80/24/456908024.db2.gz RQAYSKXRHMKSDU-UHFFFAOYSA-N 2 2 340.471 3.175 20 0 EGADLP Cc1cnn(C)c1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349360894 456952265 /nfs/dbraw/zinc/95/22/65/456952265.db2.gz BAHCNFOIJKXSFD-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Cc1cnn(C)c1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349360894 456952267 /nfs/dbraw/zinc/95/22/67/456952267.db2.gz BAHCNFOIJKXSFD-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccnn1-c1ccc(F)cc1 ZINC000349370764 456956059 /nfs/dbraw/zinc/95/60/59/456956059.db2.gz SEMKZGWZWITWRV-UHFFFAOYSA-N 2 2 330.451 3.319 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccnn1-c1ccc(F)cc1 ZINC000349370764 456956064 /nfs/dbraw/zinc/95/60/64/456956064.db2.gz SEMKZGWZWITWRV-UHFFFAOYSA-N 2 2 330.451 3.319 20 0 EGADLP Fc1ccccc1-c1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)o1 ZINC000353903001 456959018 /nfs/dbraw/zinc/95/90/18/456959018.db2.gz UNQXXXKZLSQESF-UHFFFAOYSA-N 2 2 340.402 3.127 20 0 EGADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2CCCOC2)c1 ZINC000349382658 456959213 /nfs/dbraw/zinc/95/92/13/456959213.db2.gz KKHUKOHJNUXQSS-KRWDZBQOSA-N 2 2 333.863 3.465 20 0 EGADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2CCCOC2)c1 ZINC000349382658 456959218 /nfs/dbraw/zinc/95/92/18/456959218.db2.gz KKHUKOHJNUXQSS-KRWDZBQOSA-N 2 2 333.863 3.465 20 0 EGADLP C[N@@H+](Cc1cccs1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341831361 456962863 /nfs/dbraw/zinc/96/28/63/456962863.db2.gz IYQPJGSFNOZQEZ-GOSISDBHSA-N 2 2 330.497 3.471 20 0 EGADLP C[N@H+](Cc1cccs1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341831361 456962865 /nfs/dbraw/zinc/96/28/65/456962865.db2.gz IYQPJGSFNOZQEZ-GOSISDBHSA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1cccs1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341831361 456962869 /nfs/dbraw/zinc/96/28/69/456962869.db2.gz IYQPJGSFNOZQEZ-GOSISDBHSA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1cccs1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341831361 456962870 /nfs/dbraw/zinc/96/28/70/456962870.db2.gz IYQPJGSFNOZQEZ-GOSISDBHSA-N 2 2 330.497 3.471 20 0 EGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353918278 456964891 /nfs/dbraw/zinc/96/48/91/456964891.db2.gz SXQZUZJMMKORKL-RBUKOAKNSA-N 2 2 327.472 3.269 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166393 456973147 /nfs/dbraw/zinc/97/31/47/456973147.db2.gz OPUNVHFFHFIELS-GDBMZVCRSA-N 2 2 338.293 3.465 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166393 456973151 /nfs/dbraw/zinc/97/31/51/456973151.db2.gz OPUNVHFFHFIELS-GDBMZVCRSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166393 456973154 /nfs/dbraw/zinc/97/31/54/456973154.db2.gz OPUNVHFFHFIELS-GDBMZVCRSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166393 456973157 /nfs/dbraw/zinc/97/31/57/456973157.db2.gz OPUNVHFFHFIELS-GDBMZVCRSA-N 2 2 338.293 3.465 20 0 EGADLP C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349698627 457019771 /nfs/dbraw/zinc/01/97/71/457019771.db2.gz ZBIDPYWRVCCBGU-HNNXBMFYSA-N 2 2 346.434 3.009 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038873 457025153 /nfs/dbraw/zinc/02/51/53/457025153.db2.gz NZLHQQFKPUMRSJ-QZTJIDSGSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038873 457025161 /nfs/dbraw/zinc/02/51/61/457025161.db2.gz NZLHQQFKPUMRSJ-QZTJIDSGSA-N 2 2 337.552 3.124 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000354046943 457031585 /nfs/dbraw/zinc/03/15/85/457031585.db2.gz HJIHDSGWLDDSGA-LJQANCHMSA-N 2 2 343.515 3.093 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000354046943 457031592 /nfs/dbraw/zinc/03/15/92/457031592.db2.gz HJIHDSGWLDDSGA-LJQANCHMSA-N 2 2 343.515 3.093 20 0 EGADLP CCC(CC)(CNC(=O)c1c[nH+]c(C)[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000339282771 457038517 /nfs/dbraw/zinc/03/85/17/457038517.db2.gz IZRLSNGXWHBHKA-CQSZACIVSA-N 2 2 328.460 3.358 20 0 EGADLP CC(C)(CO)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000354077492 457046609 /nfs/dbraw/zinc/04/66/09/457046609.db2.gz DUBZRSXQUOVQLX-LJQANCHMSA-N 2 2 336.439 3.117 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354084952 457051293 /nfs/dbraw/zinc/05/12/93/457051293.db2.gz SKJYICDEXCNEPZ-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354084952 457051299 /nfs/dbraw/zinc/05/12/99/457051299.db2.gz SKJYICDEXCNEPZ-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1OC ZINC000354084952 457051304 /nfs/dbraw/zinc/05/13/04/457051304.db2.gz SKJYICDEXCNEPZ-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1OC ZINC000354084952 457051309 /nfs/dbraw/zinc/05/13/09/457051309.db2.gz SKJYICDEXCNEPZ-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571814 457062593 /nfs/dbraw/zinc/06/25/93/457062593.db2.gz FMJIWLYLRDSPFC-OALUTQOASA-N 2 2 343.515 3.236 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571814 457062596 /nfs/dbraw/zinc/06/25/96/457062596.db2.gz FMJIWLYLRDSPFC-OALUTQOASA-N 2 2 343.515 3.236 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571814 457062602 /nfs/dbraw/zinc/06/26/02/457062602.db2.gz FMJIWLYLRDSPFC-OALUTQOASA-N 2 2 343.515 3.236 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571814 457062609 /nfs/dbraw/zinc/06/26/09/457062609.db2.gz FMJIWLYLRDSPFC-OALUTQOASA-N 2 2 343.515 3.236 20 0 EGADLP COc1cc2c(c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)c1)O[C@@H](C)C2 ZINC000349815432 457064224 /nfs/dbraw/zinc/06/42/24/457064224.db2.gz BEOMHNBPHRTBHE-HNNXBMFYSA-N 2 2 332.488 3.323 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)c1)O[C@@H](C)C2 ZINC000349815432 457064226 /nfs/dbraw/zinc/06/42/26/457064226.db2.gz BEOMHNBPHRTBHE-HNNXBMFYSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+](CCO)CC[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC000339352823 457064256 /nfs/dbraw/zinc/06/42/56/457064256.db2.gz DLHTXNDIPBWNKI-UHFFFAOYSA-N 2 2 326.893 3.267 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+]Cc1sc2c(cccc2Cl)c1C ZINC000339352823 457064258 /nfs/dbraw/zinc/06/42/58/457064258.db2.gz DLHTXNDIPBWNKI-UHFFFAOYSA-N 2 2 326.893 3.267 20 0 EGADLP COc1ccsc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000349822701 457068154 /nfs/dbraw/zinc/06/81/54/457068154.db2.gz QJVJJTDINZVBSL-HNAYVOBHSA-N 2 2 346.496 3.044 20 0 EGADLP COc1ccsc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000349822701 457068159 /nfs/dbraw/zinc/06/81/59/457068159.db2.gz QJVJJTDINZVBSL-HNAYVOBHSA-N 2 2 346.496 3.044 20 0 EGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000354125350 457080954 /nfs/dbraw/zinc/08/09/54/457080954.db2.gz QXUTUAWFIHTONR-IPMKNSEASA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000354125350 457080958 /nfs/dbraw/zinc/08/09/58/457080958.db2.gz QXUTUAWFIHTONR-IPMKNSEASA-N 2 2 337.552 3.124 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346693091 457114859 /nfs/dbraw/zinc/11/48/59/457114859.db2.gz KSFGOILMTZJOCX-GHMZBOCLSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346693091 457114865 /nfs/dbraw/zinc/11/48/65/457114865.db2.gz KSFGOILMTZJOCX-GHMZBOCLSA-N 2 2 329.307 3.340 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000346657564 457096984 /nfs/dbraw/zinc/09/69/84/457096984.db2.gz OEEJYVGXYDUHBK-STQMWFEESA-N 2 2 328.378 3.299 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000346657564 457096990 /nfs/dbraw/zinc/09/69/90/457096990.db2.gz OEEJYVGXYDUHBK-STQMWFEESA-N 2 2 328.378 3.299 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164823 457102766 /nfs/dbraw/zinc/10/27/66/457102766.db2.gz CPEFWPDTPKDVSZ-FQEVSTJZSA-N 2 2 325.456 3.183 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164823 457102770 /nfs/dbraw/zinc/10/27/70/457102770.db2.gz CPEFWPDTPKDVSZ-FQEVSTJZSA-N 2 2 325.456 3.183 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164823 457102775 /nfs/dbraw/zinc/10/27/75/457102775.db2.gz CPEFWPDTPKDVSZ-FQEVSTJZSA-N 2 2 325.456 3.183 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164823 457102781 /nfs/dbraw/zinc/10/27/81/457102781.db2.gz CPEFWPDTPKDVSZ-FQEVSTJZSA-N 2 2 325.456 3.183 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000342115467 457116008 /nfs/dbraw/zinc/11/60/08/457116008.db2.gz XRBQRPXYXZBLPO-WDEREUQCSA-N 2 2 344.286 3.030 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(COc4ccccc4)n3)C[C@@H]21 ZINC000342151244 457137350 /nfs/dbraw/zinc/13/73/50/457137350.db2.gz XFOUKYZUQXQUFF-FHLIZLRMSA-N 2 2 343.496 3.281 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(COc4ccccc4)n3)C[C@@H]21 ZINC000342151244 457137358 /nfs/dbraw/zinc/13/73/58/457137358.db2.gz XFOUKYZUQXQUFF-FHLIZLRMSA-N 2 2 343.496 3.281 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346738417 457140239 /nfs/dbraw/zinc/14/02/39/457140239.db2.gz BMTSGLQKYBRRPV-IAGOWNOFSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346738417 457140243 /nfs/dbraw/zinc/14/02/43/457140243.db2.gz BMTSGLQKYBRRPV-IAGOWNOFSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932126 457154730 /nfs/dbraw/zinc/15/47/30/457154730.db2.gz DWFPCBKBCXYAPT-ZYSHUDEJSA-N 2 2 327.472 3.091 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932126 457154734 /nfs/dbraw/zinc/15/47/34/457154734.db2.gz DWFPCBKBCXYAPT-ZYSHUDEJSA-N 2 2 327.472 3.091 20 0 EGADLP Fc1ccc2cc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)[nH]c2c1 ZINC000362928153 457160446 /nfs/dbraw/zinc/16/04/46/457160446.db2.gz PIHMZMGJVCRXIS-UHFFFAOYSA-N 2 2 338.430 3.456 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000359963153 457173853 /nfs/dbraw/zinc/17/38/53/457173853.db2.gz JNLYCRVPTMPTQO-HDICACEKSA-N 2 2 326.488 3.330 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000359963153 457173857 /nfs/dbraw/zinc/17/38/57/457173857.db2.gz JNLYCRVPTMPTQO-HDICACEKSA-N 2 2 326.488 3.330 20 0 EGADLP Cc1ccc(-n2c3ccc(C)cc3[nH+]c2NCc2c[nH+]cn2C)cc1 ZINC000354289839 457176155 /nfs/dbraw/zinc/17/61/55/457176155.db2.gz YLENLKFPDYOKES-UHFFFAOYSA-N 2 2 331.423 3.410 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000359999356 457193898 /nfs/dbraw/zinc/19/38/98/457193898.db2.gz OKXYGRNUGUPFBL-BZUAXINKSA-N 2 2 346.437 3.341 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000339660657 457198528 /nfs/dbraw/zinc/19/85/28/457198528.db2.gz IUOFPWWWJXRZRB-UXHICEINSA-N 2 2 349.478 3.413 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000339660657 457198534 /nfs/dbraw/zinc/19/85/34/457198534.db2.gz IUOFPWWWJXRZRB-UXHICEINSA-N 2 2 349.478 3.413 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360012072 457203476 /nfs/dbraw/zinc/20/34/76/457203476.db2.gz ZOPWRVNNHQPLTH-KRWDZBQOSA-N 2 2 341.455 3.096 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360012072 457203483 /nfs/dbraw/zinc/20/34/83/457203483.db2.gz ZOPWRVNNHQPLTH-KRWDZBQOSA-N 2 2 341.455 3.096 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363078014 457215439 /nfs/dbraw/zinc/21/54/39/457215439.db2.gz FNPLSIMMPIPVNK-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000360047589 457224907 /nfs/dbraw/zinc/22/49/07/457224907.db2.gz XAJOUGZDMSVMDV-KBXCAEBGSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000360047589 457224912 /nfs/dbraw/zinc/22/49/12/457224912.db2.gz XAJOUGZDMSVMDV-KBXCAEBGSA-N 2 2 329.419 3.443 20 0 EGADLP Cc1ccn2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cnc2c1 ZINC000342312867 457230561 /nfs/dbraw/zinc/23/05/61/457230561.db2.gz MJWMUGPGKOLOMQ-FXAWDEMLSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1ccn2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cnc2c1 ZINC000342312867 457230569 /nfs/dbraw/zinc/23/05/69/457230569.db2.gz MJWMUGPGKOLOMQ-FXAWDEMLSA-N 2 2 334.467 3.395 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)c1 ZINC000354453486 457232385 /nfs/dbraw/zinc/23/23/85/457232385.db2.gz DKGUPUQJYMAYJX-YJBOKZPZSA-N 2 2 336.476 3.447 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2cc(F)ccc2N2CCOCC2)c[nH+]1 ZINC000354459517 457236110 /nfs/dbraw/zinc/23/61/10/457236110.db2.gz GYHFTZISZLDFRJ-UHFFFAOYSA-N 2 2 343.446 3.088 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347156947 457260505 /nfs/dbraw/zinc/26/05/05/457260505.db2.gz DQWJRMQJVIACFG-MSOLQXFVSA-N 2 2 332.451 3.352 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000347156947 457260509 /nfs/dbraw/zinc/26/05/09/457260509.db2.gz DQWJRMQJVIACFG-MSOLQXFVSA-N 2 2 332.451 3.352 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000357026959 457284337 /nfs/dbraw/zinc/28/43/37/457284337.db2.gz NUKPNBDRBKZKOC-KSZLIROESA-N 2 2 330.451 3.111 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1COc2cccc(Cl)c21 ZINC000342418155 457292724 /nfs/dbraw/zinc/29/27/24/457292724.db2.gz OHLUCXIEJXHMNI-MRXNPFEDSA-N 2 2 340.814 3.452 20 0 EGADLP COc1cc(C)[nH+]c(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000339831250 457299218 /nfs/dbraw/zinc/29/92/18/457299218.db2.gz PGPNHSZSDVZDCJ-HXUWFJFHSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)[nH+]c(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000339831250 457299223 /nfs/dbraw/zinc/29/92/23/457299223.db2.gz PGPNHSZSDVZDCJ-HXUWFJFHSA-N 2 2 339.483 3.495 20 0 EGADLP CC(C)[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCO1 ZINC000347270041 457322147 /nfs/dbraw/zinc/32/21/47/457322147.db2.gz KMWVSAXIJBUKLR-APWZRJJASA-N 2 2 346.519 3.228 20 0 EGADLP Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc(C(C)C)[nH+]1 ZINC000357208001 457373355 /nfs/dbraw/zinc/37/33/55/457373355.db2.gz DJCQIMJETGFMPP-UHFFFAOYSA-N 2 2 325.460 3.054 20 0 EGADLP COc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000379650955 457416240 /nfs/dbraw/zinc/41/62/40/457416240.db2.gz TUKIHFNLGYSFEP-GDBMZVCRSA-N 2 2 331.485 3.294 20 0 EGADLP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000379650955 457416244 /nfs/dbraw/zinc/41/62/44/457416244.db2.gz TUKIHFNLGYSFEP-GDBMZVCRSA-N 2 2 331.485 3.294 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000352503127 457420954 /nfs/dbraw/zinc/42/09/54/457420954.db2.gz BZFIBCKVSYEQQO-OAHLLOKOSA-N 2 2 345.468 3.242 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000352503127 457420958 /nfs/dbraw/zinc/42/09/58/457420958.db2.gz BZFIBCKVSYEQQO-OAHLLOKOSA-N 2 2 345.468 3.242 20 0 EGADLP Cc1[nH+]ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1Cl ZINC000357322850 457446234 /nfs/dbraw/zinc/44/62/34/457446234.db2.gz JXUWLZRRXKOBFC-UHFFFAOYSA-N 2 2 341.846 3.013 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000360942270 457449730 /nfs/dbraw/zinc/44/97/30/457449730.db2.gz OHPWRODIVZMVMD-QGZVFWFLSA-N 3 2 342.462 3.084 20 0 EGADLP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC000369899601 457451261 /nfs/dbraw/zinc/45/12/61/457451261.db2.gz ILGWEWADJIHURW-IBGZPJMESA-N 2 2 338.455 3.425 20 0 EGADLP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC000369899601 457451266 /nfs/dbraw/zinc/45/12/66/457451266.db2.gz ILGWEWADJIHURW-IBGZPJMESA-N 2 2 338.455 3.425 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000360945457 457453341 /nfs/dbraw/zinc/45/33/41/457453341.db2.gz DZJDRCJGXMYJDI-GDBMZVCRSA-N 2 2 332.448 3.320 20 0 EGADLP CCCCC[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364144635 457497113 /nfs/dbraw/zinc/49/71/13/457497113.db2.gz PDMNVAWINRPBPI-PXNSSMCTSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCC[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364144635 457497120 /nfs/dbraw/zinc/49/71/20/457497120.db2.gz PDMNVAWINRPBPI-PXNSSMCTSA-N 2 2 337.552 3.268 20 0 EGADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401010087 457522359 /nfs/dbraw/zinc/52/23/59/457522359.db2.gz RFBMAAWGIZQDSN-XRXFAXGQSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401010087 457522365 /nfs/dbraw/zinc/52/23/65/457522365.db2.gz RFBMAAWGIZQDSN-XRXFAXGQSA-N 3 2 327.516 3.019 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401067311 457522491 /nfs/dbraw/zinc/52/24/91/457522491.db2.gz JACMRMPCWYSELX-VAMGGRTRSA-N 3 2 327.516 3.019 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401067311 457522497 /nfs/dbraw/zinc/52/24/97/457522497.db2.gz JACMRMPCWYSELX-VAMGGRTRSA-N 3 2 327.516 3.019 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)n1C ZINC000425375245 457526552 /nfs/dbraw/zinc/52/65/52/457526552.db2.gz ZAFJXVAQFVFFQS-UHFFFAOYSA-N 2 2 348.441 3.219 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(c3ccc(O)cc3)CC2)s1 ZINC000347592117 457533787 /nfs/dbraw/zinc/53/37/87/457533787.db2.gz QGDHXAHKKWJMKZ-UHFFFAOYSA-N 2 2 331.485 3.290 20 0 EGADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCCCCC1 ZINC000357448656 457535508 /nfs/dbraw/zinc/53/55/08/457535508.db2.gz FMKKQGSHMPYWEA-IBGZPJMESA-N 2 2 343.515 3.032 20 0 EGADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCCCCC1 ZINC000357448656 457535513 /nfs/dbraw/zinc/53/55/13/457535513.db2.gz FMKKQGSHMPYWEA-IBGZPJMESA-N 2 2 343.515 3.032 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000404434187 457544139 /nfs/dbraw/zinc/54/41/39/457544139.db2.gz QHJHOFINORSSHB-DOMZBBRYSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000404434187 457544146 /nfs/dbraw/zinc/54/41/46/457544146.db2.gz QHJHOFINORSSHB-DOMZBBRYSA-N 2 2 334.851 3.339 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356220789 457545223 /nfs/dbraw/zinc/54/52/23/457545223.db2.gz NPBBEUXVJXQTTD-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356220789 457545226 /nfs/dbraw/zinc/54/52/26/457545226.db2.gz NPBBEUXVJXQTTD-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(OC)c(OC)c1 ZINC000347634923 457564261 /nfs/dbraw/zinc/56/42/61/457564261.db2.gz JUFPADWGEUDESD-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(OC)c(OC)c1 ZINC000347634923 457564267 /nfs/dbraw/zinc/56/42/67/457564267.db2.gz JUFPADWGEUDESD-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000408513680 457573011 /nfs/dbraw/zinc/57/30/11/457573011.db2.gz VUGFDBGPUNVDGU-HNNXBMFYSA-N 2 2 337.423 3.078 20 0 EGADLP CCc1ccc2c(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000408513680 457573014 /nfs/dbraw/zinc/57/30/14/457573014.db2.gz VUGFDBGPUNVDGU-HNNXBMFYSA-N 2 2 337.423 3.078 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101240 457581093 /nfs/dbraw/zinc/58/10/93/457581093.db2.gz AYVATLVAMBMTAW-DZGCQCFKSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101240 457581099 /nfs/dbraw/zinc/58/10/99/457581099.db2.gz AYVATLVAMBMTAW-DZGCQCFKSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101240 457581103 /nfs/dbraw/zinc/58/11/03/457581103.db2.gz AYVATLVAMBMTAW-DZGCQCFKSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101240 457581109 /nfs/dbraw/zinc/58/11/09/457581109.db2.gz AYVATLVAMBMTAW-DZGCQCFKSA-N 2 2 328.378 3.154 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)CCC2 ZINC000374512364 457645275 /nfs/dbraw/zinc/64/52/75/457645275.db2.gz BQCHQOYPBIIEKQ-QGZVFWFLSA-N 2 2 335.455 3.259 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425904217 457649828 /nfs/dbraw/zinc/64/98/28/457649828.db2.gz XKSJAMQRQSKXJS-HKUYNNGSSA-N 3 2 348.535 3.132 20 0 EGADLP Cc1cc(F)ccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425918189 457651057 /nfs/dbraw/zinc/65/10/57/457651057.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(F)ccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425918189 457651061 /nfs/dbraw/zinc/65/10/61/457651061.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(F)ccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425918189 457651063 /nfs/dbraw/zinc/65/10/63/457651063.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(F)ccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425918189 457651067 /nfs/dbraw/zinc/65/10/67/457651067.db2.gz DNRQHVJUYAGUMH-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(Br)c1 ZINC000425917955 457651286 /nfs/dbraw/zinc/65/12/86/457651286.db2.gz HHBWLEPSGUCEDC-RYUDHWBXSA-N 2 2 329.282 3.306 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361232261 457658920 /nfs/dbraw/zinc/65/89/20/457658920.db2.gz XWJFZFRNAUQUAY-RBUKOAKNSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361232261 457658924 /nfs/dbraw/zinc/65/89/24/457658924.db2.gz XWJFZFRNAUQUAY-RBUKOAKNSA-N 2 2 331.504 3.012 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000370724429 457706794 /nfs/dbraw/zinc/70/67/94/457706794.db2.gz KUBNEEJQXYAUGS-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000370724429 457706799 /nfs/dbraw/zinc/70/67/99/457706799.db2.gz KUBNEEJQXYAUGS-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CCN1CC[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1=O ZINC000361381191 457712739 /nfs/dbraw/zinc/71/27/39/457712739.db2.gz MGIKXPJWLHJGPV-INIZCTEOSA-N 2 2 342.487 3.068 20 0 EGADLP CCN1CC[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)[C@@H](C)C1=O ZINC000361381191 457712742 /nfs/dbraw/zinc/71/27/42/457712742.db2.gz MGIKXPJWLHJGPV-INIZCTEOSA-N 2 2 342.487 3.068 20 0 EGADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912518 457732159 /nfs/dbraw/zinc/73/21/59/457732159.db2.gz XSZACTNBURYAHA-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912518 457732162 /nfs/dbraw/zinc/73/21/62/457732162.db2.gz XSZACTNBURYAHA-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912518 457732165 /nfs/dbraw/zinc/73/21/65/457732165.db2.gz XSZACTNBURYAHA-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912518 457732168 /nfs/dbraw/zinc/73/21/68/457732168.db2.gz XSZACTNBURYAHA-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000426034288 457764508 /nfs/dbraw/zinc/76/45/08/457764508.db2.gz HUFSDFUOZOPBRH-JYPHPWERSA-N 2 2 330.472 3.143 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000426034288 457764512 /nfs/dbraw/zinc/76/45/12/457764512.db2.gz HUFSDFUOZOPBRH-JYPHPWERSA-N 2 2 330.472 3.143 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358081842 457774731 /nfs/dbraw/zinc/77/47/31/457774731.db2.gz IYMWBXJMYAMSQG-JFIYKMOQSA-N 2 2 332.488 3.217 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358081842 457774736 /nfs/dbraw/zinc/77/47/36/457774736.db2.gz IYMWBXJMYAMSQG-JFIYKMOQSA-N 2 2 332.488 3.217 20 0 EGADLP CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361860812 457913387 /nfs/dbraw/zinc/91/33/87/457913387.db2.gz QCYXCXMPJYONCX-UHFFFAOYSA-N 2 2 329.444 3.344 20 0 EGADLP CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361860812 457913395 /nfs/dbraw/zinc/91/33/95/457913395.db2.gz QCYXCXMPJYONCX-UHFFFAOYSA-N 2 2 329.444 3.344 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332375 457937951 /nfs/dbraw/zinc/93/79/51/457937951.db2.gz VZSTWZWPJGUYEG-XJKSGUPXSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332375 457937955 /nfs/dbraw/zinc/93/79/55/457937955.db2.gz VZSTWZWPJGUYEG-XJKSGUPXSA-N 2 2 330.394 3.195 20 0 EGADLP COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CCn3cc[nH+]c3)n2)c1 ZINC000367270178 457939503 /nfs/dbraw/zinc/93/95/03/457939503.db2.gz JVFYKDVZGCYZEW-SFHVURJKSA-N 2 2 337.427 3.119 20 0 EGADLP COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CCn3cc[nH+]c3)n2)c1 ZINC000367270178 457939512 /nfs/dbraw/zinc/93/95/12/457939512.db2.gz JVFYKDVZGCYZEW-SFHVURJKSA-N 2 2 337.427 3.119 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427108159 457945093 /nfs/dbraw/zinc/94/50/93/457945093.db2.gz BUEKEQVCVGPYFK-KXBFYZLASA-N 2 2 344.890 3.326 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427108159 457945096 /nfs/dbraw/zinc/94/50/96/457945096.db2.gz BUEKEQVCVGPYFK-KXBFYZLASA-N 2 2 344.890 3.326 20 0 EGADLP C[C@@H](O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000411830081 457988626 /nfs/dbraw/zinc/98/86/26/457988626.db2.gz YSVDLYOSYRIYQP-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@@H](O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000411830081 457988633 /nfs/dbraw/zinc/98/86/33/457988633.db2.gz YSVDLYOSYRIYQP-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP Cc1nc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501288 458007509 /nfs/dbraw/zinc/00/75/09/458007509.db2.gz WPKWWYPBNVGHQH-QGZVFWFLSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501288 458007515 /nfs/dbraw/zinc/00/75/15/458007515.db2.gz WPKWWYPBNVGHQH-QGZVFWFLSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501288 458007520 /nfs/dbraw/zinc/00/75/20/458007520.db2.gz WPKWWYPBNVGHQH-QGZVFWFLSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)s1 ZINC000434501288 458007526 /nfs/dbraw/zinc/00/75/26/458007526.db2.gz WPKWWYPBNVGHQH-QGZVFWFLSA-N 2 2 330.501 3.109 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ncc(Br)cc1F ZINC000427689429 458022199 /nfs/dbraw/zinc/02/21/99/458022199.db2.gz IHPSUHWOSVYZHC-JFGNBEQYSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ncc(Br)cc1F ZINC000427689429 458022203 /nfs/dbraw/zinc/02/22/03/458022203.db2.gz IHPSUHWOSVYZHC-JFGNBEQYSA-N 2 2 330.245 3.117 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000371677900 458029224 /nfs/dbraw/zinc/02/92/24/458029224.db2.gz WXCGTNKWLQLPOD-OAHLLOKOSA-N 2 2 328.378 3.435 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037650 458069443 /nfs/dbraw/zinc/06/94/43/458069443.db2.gz KQDHIJCSQXDHMW-PXNSSMCTSA-N 2 2 341.499 3.036 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037650 458069450 /nfs/dbraw/zinc/06/94/50/458069450.db2.gz KQDHIJCSQXDHMW-PXNSSMCTSA-N 2 2 341.499 3.036 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031593 458069692 /nfs/dbraw/zinc/06/96/92/458069692.db2.gz LSLLMNSRPOCTFN-YVWKXTFCSA-N 2 2 349.478 3.364 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031593 458069697 /nfs/dbraw/zinc/06/96/97/458069697.db2.gz LSLLMNSRPOCTFN-YVWKXTFCSA-N 2 2 349.478 3.364 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1COCc2ccccc21 ZINC000428213565 458098139 /nfs/dbraw/zinc/09/81/39/458098139.db2.gz UGQWHOHECCLVNV-TYCQWZJGSA-N 2 2 337.467 3.153 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1COCc2ccccc21 ZINC000428213565 458098147 /nfs/dbraw/zinc/09/81/47/458098147.db2.gz UGQWHOHECCLVNV-TYCQWZJGSA-N 2 2 337.467 3.153 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369656 458122149 /nfs/dbraw/zinc/12/21/49/458122149.db2.gz GBEWAQAEIJCVJH-NWDGAFQWSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369656 458122156 /nfs/dbraw/zinc/12/21/56/458122156.db2.gz GBEWAQAEIJCVJH-NWDGAFQWSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375899 458126012 /nfs/dbraw/zinc/12/60/12/458126012.db2.gz ORCJNOMMOOAZQT-YPMHNXCESA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375899 458126020 /nfs/dbraw/zinc/12/60/20/458126020.db2.gz ORCJNOMMOOAZQT-YPMHNXCESA-N 2 2 349.276 3.008 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435390136 458134846 /nfs/dbraw/zinc/13/48/46/458134846.db2.gz OEWJMNMVVOIXPR-FQEVSTJZSA-N 2 2 347.466 3.118 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000435390136 458134853 /nfs/dbraw/zinc/13/48/53/458134853.db2.gz OEWJMNMVVOIXPR-FQEVSTJZSA-N 2 2 347.466 3.118 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428501 458144026 /nfs/dbraw/zinc/14/40/26/458144026.db2.gz SHNREQXEVQERRP-AWEZNQCLSA-N 2 2 334.514 3.052 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428501 458144029 /nfs/dbraw/zinc/14/40/29/458144029.db2.gz SHNREQXEVQERRP-AWEZNQCLSA-N 2 2 334.514 3.052 20 0 EGADLP Cn1c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000435438178 458147676 /nfs/dbraw/zinc/14/76/76/458147676.db2.gz OJOGLKXMOQNPCC-ZDUSSCGKSA-N 2 2 340.393 3.166 20 0 EGADLP Cn1c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000435438178 458147681 /nfs/dbraw/zinc/14/76/81/458147681.db2.gz OJOGLKXMOQNPCC-ZDUSSCGKSA-N 2 2 340.393 3.166 20 0 EGADLP COc1ccsc1C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435448282 458149331 /nfs/dbraw/zinc/14/93/31/458149331.db2.gz UNSAKPNJUSZHGN-CYBMUJFWSA-N 2 2 337.514 3.133 20 0 EGADLP COc1ccsc1C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435448282 458149337 /nfs/dbraw/zinc/14/93/37/458149337.db2.gz UNSAKPNJUSZHGN-CYBMUJFWSA-N 2 2 337.514 3.133 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(CO)C[C@@H]3c3ccc(F)cc3)n2c1 ZINC000428559197 458169639 /nfs/dbraw/zinc/16/96/39/458169639.db2.gz PKVKYFYNHIAWLI-QUCCMNQESA-N 2 2 339.414 3.038 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C[N@@H+]1C1CC1 ZINC000428570451 458171171 /nfs/dbraw/zinc/17/11/71/458171171.db2.gz YFAFUJUIFSNSCZ-NSGGIEJNSA-N 2 2 346.490 3.114 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C[N@H+]1C1CC1 ZINC000428570451 458171178 /nfs/dbraw/zinc/17/11/78/458171178.db2.gz YFAFUJUIFSNSCZ-NSGGIEJNSA-N 2 2 346.490 3.114 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000435873868 458216749 /nfs/dbraw/zinc/21/67/49/458216749.db2.gz GLNXTMCKOXWIBW-CQSZACIVSA-N 2 2 327.266 3.204 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000435873868 458216758 /nfs/dbraw/zinc/21/67/58/458216758.db2.gz GLNXTMCKOXWIBW-CQSZACIVSA-N 2 2 327.266 3.204 20 0 EGADLP CCCc1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428967459 458242777 /nfs/dbraw/zinc/24/27/77/458242777.db2.gz MUPHKCYTVLLNPU-KDURUIRLSA-N 2 2 339.483 3.499 20 0 EGADLP CCCc1nc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428967459 458242779 /nfs/dbraw/zinc/24/27/79/458242779.db2.gz MUPHKCYTVLLNPU-KDURUIRLSA-N 2 2 339.483 3.499 20 0 EGADLP CCCc1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428967459 458242782 /nfs/dbraw/zinc/24/27/82/458242782.db2.gz MUPHKCYTVLLNPU-KDURUIRLSA-N 2 2 339.483 3.499 20 0 EGADLP CCCc1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428967459 458242785 /nfs/dbraw/zinc/24/27/85/458242785.db2.gz MUPHKCYTVLLNPU-KDURUIRLSA-N 2 2 339.483 3.499 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000459045216 458252788 /nfs/dbraw/zinc/25/27/88/458252788.db2.gz ATNRIKPXWBTLRC-RDJZCZTQSA-N 2 2 347.507 3.042 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000459045216 458252791 /nfs/dbraw/zinc/25/27/91/458252791.db2.gz ATNRIKPXWBTLRC-RDJZCZTQSA-N 2 2 347.507 3.042 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429408944 458330538 /nfs/dbraw/zinc/33/05/38/458330538.db2.gz XJQMCBBSRTWCRW-QGZVFWFLSA-N 2 2 338.499 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000429408944 458330543 /nfs/dbraw/zinc/33/05/43/458330543.db2.gz XJQMCBBSRTWCRW-QGZVFWFLSA-N 2 2 338.499 3.487 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422348 458331944 /nfs/dbraw/zinc/33/19/44/458331944.db2.gz ZDAMCURTNJJOGS-IRFCIJBXSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422348 458331946 /nfs/dbraw/zinc/33/19/46/458331946.db2.gz ZDAMCURTNJJOGS-IRFCIJBXSA-N 2 2 346.515 3.071 20 0 EGADLP Oc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1Br ZINC000459355441 458340722 /nfs/dbraw/zinc/34/07/22/458340722.db2.gz MZLCHOBFTXKQCD-AWEZNQCLSA-N 2 2 349.228 3.203 20 0 EGADLP Oc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1Br ZINC000459355441 458340728 /nfs/dbraw/zinc/34/07/28/458340728.db2.gz MZLCHOBFTXKQCD-AWEZNQCLSA-N 2 2 349.228 3.203 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551425 458344276 /nfs/dbraw/zinc/34/42/76/458344276.db2.gz UYESCVAIZFJQRC-AEFFLSMTSA-N 2 2 347.478 3.046 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551425 458344281 /nfs/dbraw/zinc/34/42/81/458344281.db2.gz UYESCVAIZFJQRC-AEFFLSMTSA-N 2 2 347.478 3.046 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cc1F ZINC000459396592 458358874 /nfs/dbraw/zinc/35/88/74/458358874.db2.gz QJIYKYWRBHEZJA-UHFFFAOYSA-N 2 2 337.402 3.277 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459413105 458363431 /nfs/dbraw/zinc/36/34/31/458363431.db2.gz NZGSPNVFKOOHRG-QGZVFWFLSA-N 3 2 327.516 3.428 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000372987769 458367321 /nfs/dbraw/zinc/36/73/21/458367321.db2.gz XSJVQBQFYSMWSY-QGZVFWFLSA-N 2 2 347.507 3.012 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372988504 458367401 /nfs/dbraw/zinc/36/74/01/458367401.db2.gz BOQBPKSHMIZGAF-BRWVUGGUSA-N 2 2 349.544 3.216 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372988504 458367406 /nfs/dbraw/zinc/36/74/06/458367406.db2.gz BOQBPKSHMIZGAF-BRWVUGGUSA-N 2 2 349.544 3.216 20 0 EGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000459441592 458372338 /nfs/dbraw/zinc/37/23/38/458372338.db2.gz YUDUGZWAYPGHAB-INIZCTEOSA-N 2 2 328.460 3.092 20 0 EGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000459441592 458372343 /nfs/dbraw/zinc/37/23/43/458372343.db2.gz YUDUGZWAYPGHAB-INIZCTEOSA-N 2 2 328.460 3.092 20 0 EGADLP CCCOc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC ZINC000376729566 458377305 /nfs/dbraw/zinc/37/73/05/458377305.db2.gz RALHWYQEBCFFGE-UHFFFAOYSA-N 2 2 329.444 3.307 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]CCc2cccc(Cl)c2)[N@H+](Cc2ccccc2)C1 ZINC000459465856 458381681 /nfs/dbraw/zinc/38/16/81/458381681.db2.gz YBCHLXYYCJWPOC-PMACEKPBSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]CCc2cccc(Cl)c2)[N@@H+](Cc2ccccc2)C1 ZINC000459465856 458381684 /nfs/dbraw/zinc/38/16/84/458381684.db2.gz YBCHLXYYCJWPOC-PMACEKPBSA-N 2 2 344.886 3.108 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373115610 458401554 /nfs/dbraw/zinc/40/15/54/458401554.db2.gz MMLRJHTZRJTUFL-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373115610 458401555 /nfs/dbraw/zinc/40/15/55/458401555.db2.gz MMLRJHTZRJTUFL-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP CCCOc1c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1OCC ZINC000430120823 458405976 /nfs/dbraw/zinc/40/59/76/458405976.db2.gz KRSOHRDQTFJFKZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1OCC ZINC000430120823 458405982 /nfs/dbraw/zinc/40/59/82/458405982.db2.gz KRSOHRDQTFJFKZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cccc1OCC ZINC000430120823 458405985 /nfs/dbraw/zinc/40/59/85/458405985.db2.gz KRSOHRDQTFJFKZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1OCC ZINC000430120823 458405989 /nfs/dbraw/zinc/40/59/89/458405989.db2.gz KRSOHRDQTFJFKZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCOC[C@H](C4CCC4)C3)sc2C1 ZINC000430166139 458414011 /nfs/dbraw/zinc/41/40/11/458414011.db2.gz NRQVKUKUOFJDQW-MRXNPFEDSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCOC[C@H](C4CCC4)C3)sc2C1 ZINC000430166139 458414016 /nfs/dbraw/zinc/41/40/16/458414016.db2.gz NRQVKUKUOFJDQW-MRXNPFEDSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCOC[C@H](C4CCC4)C3)sc2C1 ZINC000430166139 458414022 /nfs/dbraw/zinc/41/40/22/458414022.db2.gz NRQVKUKUOFJDQW-MRXNPFEDSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCOC[C@H](C4CCC4)C3)sc2C1 ZINC000430166139 458414028 /nfs/dbraw/zinc/41/40/28/458414028.db2.gz NRQVKUKUOFJDQW-MRXNPFEDSA-N 2 2 349.544 3.158 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437118969 458428535 /nfs/dbraw/zinc/42/85/35/458428535.db2.gz XUJFAVWCDDDNGJ-CQSZACIVSA-N 2 2 337.895 3.439 20 0 EGADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423500040 458445240 /nfs/dbraw/zinc/44/52/40/458445240.db2.gz CSFRWRGTIUBKFV-KOLCDFICSA-N 2 2 335.300 3.400 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000423525640 458451473 /nfs/dbraw/zinc/45/14/73/458451473.db2.gz KQTYTPHFLJLMLS-AYOQOUSVSA-N 2 2 338.451 3.254 20 0 EGADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423531951 458453600 /nfs/dbraw/zinc/45/36/00/458453600.db2.gz YWEANHWLSVAFDO-UWJYYQICSA-N 2 2 340.467 3.213 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000423532716 458453941 /nfs/dbraw/zinc/45/39/41/458453941.db2.gz RPLWQOQBKFUREP-IPMKNSEASA-N 2 2 338.451 3.254 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555411 458460616 /nfs/dbraw/zinc/46/06/16/458460616.db2.gz XCVPICMJXKEACB-AEFFLSMTSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555411 458460623 /nfs/dbraw/zinc/46/06/23/458460623.db2.gz XCVPICMJXKEACB-AEFFLSMTSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430582640 458466472 /nfs/dbraw/zinc/46/64/72/458466472.db2.gz KTNJDOACCUUIHZ-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430582640 458466480 /nfs/dbraw/zinc/46/64/80/458466480.db2.gz KTNJDOACCUUIHZ-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000430585832 458466924 /nfs/dbraw/zinc/46/69/24/458466924.db2.gz XNIUNSGKSRGUHM-RTWAWAEBSA-N 2 2 345.531 3.387 20 0 EGADLP Cc1ccc2[nH+]c(CN(CC[NH+](C)C)Cc3ccsc3)cn2c1 ZINC000459749478 458467579 /nfs/dbraw/zinc/46/75/79/458467579.db2.gz PGOBYKNLKYFBTD-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000430589680 458468021 /nfs/dbraw/zinc/46/80/21/458468021.db2.gz AWLLHMHMQUKYBJ-OAQYLSRUSA-N 2 2 339.483 3.179 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620596 458471880 /nfs/dbraw/zinc/47/18/80/458471880.db2.gz CCMJHUZVXOTINY-HZPDHXFCSA-N 2 2 325.456 3.098 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620596 458471883 /nfs/dbraw/zinc/47/18/83/458471883.db2.gz CCMJHUZVXOTINY-HZPDHXFCSA-N 2 2 325.456 3.098 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430623038 458473236 /nfs/dbraw/zinc/47/32/36/458473236.db2.gz GGOQFGLCOYVPBF-JKSUJKDBSA-N 2 2 331.504 3.070 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430623038 458473242 /nfs/dbraw/zinc/47/32/42/458473242.db2.gz GGOQFGLCOYVPBF-JKSUJKDBSA-N 2 2 331.504 3.070 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@H](C)[NH3+])n2)cc1F ZINC000430646406 458474135 /nfs/dbraw/zinc/47/41/35/458474135.db2.gz PFTBXDREUOMRDX-YOEHRIQHSA-N 2 2 346.450 3.318 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@H](C)[NH3+])n2)cc1F ZINC000430646406 458474140 /nfs/dbraw/zinc/47/41/40/458474140.db2.gz PFTBXDREUOMRDX-YOEHRIQHSA-N 2 2 346.450 3.318 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430641787 458474936 /nfs/dbraw/zinc/47/49/36/458474936.db2.gz UHAPDKKDDCWFPU-ZDUSSCGKSA-N 2 2 348.288 3.429 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430641787 458474941 /nfs/dbraw/zinc/47/49/41/458474941.db2.gz UHAPDKKDDCWFPU-ZDUSSCGKSA-N 2 2 348.288 3.429 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+](C)C2CC[NH2+]CC2)C(C)C)cc1 ZINC000430669732 458478054 /nfs/dbraw/zinc/47/80/54/458478054.db2.gz ULQJODNUXSFFCE-OAQYLSRUSA-N 2 2 345.531 3.307 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)C(C)C)cc1 ZINC000430669732 458478056 /nfs/dbraw/zinc/47/80/56/458478056.db2.gz ULQJODNUXSFFCE-OAQYLSRUSA-N 2 2 345.531 3.307 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000459794405 458481429 /nfs/dbraw/zinc/48/14/29/458481429.db2.gz UPNIEDPUGJAKLE-HLAWJBBLSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000459794405 458481431 /nfs/dbraw/zinc/48/14/31/458481431.db2.gz UPNIEDPUGJAKLE-HLAWJBBLSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794405 458481433 /nfs/dbraw/zinc/48/14/33/458481433.db2.gz UPNIEDPUGJAKLE-HLAWJBBLSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794405 458481436 /nfs/dbraw/zinc/48/14/36/458481436.db2.gz UPNIEDPUGJAKLE-HLAWJBBLSA-N 3 2 329.532 3.219 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923653 458506407 /nfs/dbraw/zinc/50/64/07/458506407.db2.gz FRXHQJRZSJREGK-XLIONFOSSA-N 2 2 337.467 3.264 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923653 458506414 /nfs/dbraw/zinc/50/64/14/458506414.db2.gz FRXHQJRZSJREGK-XLIONFOSSA-N 2 2 337.467 3.264 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430950850 458509618 /nfs/dbraw/zinc/50/96/18/458509618.db2.gz JGCNWKBWBQOWSX-MRXNPFEDSA-N 2 2 339.439 3.006 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430950850 458509625 /nfs/dbraw/zinc/50/96/25/458509625.db2.gz JGCNWKBWBQOWSX-MRXNPFEDSA-N 2 2 339.439 3.006 20 0 EGADLP CCCC[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377699948 458510730 /nfs/dbraw/zinc/51/07/30/458510730.db2.gz NELUMNZSGVIZOE-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP CCCC[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377699948 458510734 /nfs/dbraw/zinc/51/07/34/458510734.db2.gz NELUMNZSGVIZOE-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000430958990 458511520 /nfs/dbraw/zinc/51/15/20/458511520.db2.gz VGWLGYDWLDFAAQ-KBXCAEBGSA-N 2 2 345.874 3.483 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000430958990 458511526 /nfs/dbraw/zinc/51/15/26/458511526.db2.gz VGWLGYDWLDFAAQ-KBXCAEBGSA-N 2 2 345.874 3.483 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@]3(CC)CCC[NH2+]3)ccc2n1C1CC1 ZINC000423929842 458514150 /nfs/dbraw/zinc/51/41/50/458514150.db2.gz JIPVWPVZLRDRKC-HXUWFJFHSA-N 2 2 340.471 3.082 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C3(C[NH3+])CCCC3)ccc2n1C1CC1 ZINC000423932744 458515184 /nfs/dbraw/zinc/51/51/84/458515184.db2.gz PSGCGJMZBXRICE-UHFFFAOYSA-N 2 2 340.471 3.069 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763303 458516558 /nfs/dbraw/zinc/51/65/58/458516558.db2.gz OZJKEQKSAPBVAF-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763303 458516564 /nfs/dbraw/zinc/51/65/64/458516564.db2.gz OZJKEQKSAPBVAF-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763303 458516570 /nfs/dbraw/zinc/51/65/70/458516570.db2.gz OZJKEQKSAPBVAF-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763303 458516574 /nfs/dbraw/zinc/51/65/74/458516574.db2.gz OZJKEQKSAPBVAF-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP CC[NH+](CC)C[C@H](C)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453113610 458518757 /nfs/dbraw/zinc/51/87/57/458518757.db2.gz UOHYOQIXQFOFRH-YOEHRIQHSA-N 2 2 334.895 3.483 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431074182 458524814 /nfs/dbraw/zinc/52/48/14/458524814.db2.gz QTNUANIGWQNYJP-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000431074182 458524818 /nfs/dbraw/zinc/52/48/18/458524818.db2.gz QTNUANIGWQNYJP-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000431160649 458537086 /nfs/dbraw/zinc/53/70/86/458537086.db2.gz UVLGMERDCNNDGG-VQIMIIECSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000431160649 458537089 /nfs/dbraw/zinc/53/70/89/458537089.db2.gz UVLGMERDCNNDGG-VQIMIIECSA-N 2 2 339.439 3.179 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000377827800 458544129 /nfs/dbraw/zinc/54/41/29/458544129.db2.gz ZXTOPASJICGPJH-OAHLLOKOSA-N 2 2 341.846 3.249 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000377827800 458544134 /nfs/dbraw/zinc/54/41/34/458544134.db2.gz ZXTOPASJICGPJH-OAHLLOKOSA-N 2 2 341.846 3.249 20 0 EGADLP CC(C)n1c[nH+]cc1CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000424157398 458574229 /nfs/dbraw/zinc/57/42/29/458574229.db2.gz QUPZLBFIJFQKTE-MRXNPFEDSA-N 2 2 328.460 3.469 20 0 EGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424287663 458605319 /nfs/dbraw/zinc/60/53/19/458605319.db2.gz JLTZCSDUZXHNQL-CYBMUJFWSA-N 2 2 343.475 3.170 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462265180 458608398 /nfs/dbraw/zinc/60/83/98/458608398.db2.gz AKOOCPPAQOEYHA-RSPOEFSDSA-N 2 2 349.563 3.218 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462265180 458608400 /nfs/dbraw/zinc/60/84/00/458608400.db2.gz AKOOCPPAQOEYHA-RSPOEFSDSA-N 2 2 349.563 3.218 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277172 458713402 /nfs/dbraw/zinc/71/34/02/458713402.db2.gz VRVPYZZERJJOEF-RBUKOAKNSA-N 2 2 330.859 3.086 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277172 458713409 /nfs/dbraw/zinc/71/34/09/458713409.db2.gz VRVPYZZERJJOEF-RBUKOAKNSA-N 2 2 330.859 3.086 20 0 EGADLP C[C@@H]([C@@H]1CCC[NH2+]1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530212193 458718722 /nfs/dbraw/zinc/71/87/22/458718722.db2.gz PROVNOFYQQRIBZ-YOEHRIQHSA-N 2 2 332.492 3.122 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424561 458737576 /nfs/dbraw/zinc/73/75/76/458737576.db2.gz JOTTUTPSABSHOU-HUUCEWRRSA-N 2 2 337.533 3.173 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424561 458737579 /nfs/dbraw/zinc/73/75/79/458737579.db2.gz JOTTUTPSABSHOU-HUUCEWRRSA-N 2 2 337.533 3.173 20 0 EGADLP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837647 458740196 /nfs/dbraw/zinc/74/01/96/458740196.db2.gz KJGRCKIHZRCIBU-QZTJIDSGSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837647 458740205 /nfs/dbraw/zinc/74/02/05/458740205.db2.gz KJGRCKIHZRCIBU-QZTJIDSGSA-N 2 2 342.487 3.194 20 0 EGADLP O=C1OC2(CCCC2)CN1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000494994623 458781676 /nfs/dbraw/zinc/78/16/76/458781676.db2.gz WWNYZBPCAWFXKS-UHFFFAOYSA-N 2 2 346.475 3.098 20 0 EGADLP Cc1cc(N2CC[NH+](C/C=C/c3ccncc3)CC2)nc(C(C)C)[nH+]1 ZINC000495055576 458790537 /nfs/dbraw/zinc/79/05/37/458790537.db2.gz ABLWYWLTAIPONE-SNAWJCMRSA-N 2 2 337.471 3.139 20 0 EGADLP CCc1cc(NC[C@H](C(CC)CC)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000518298590 458854485 /nfs/dbraw/zinc/85/44/85/458854485.db2.gz MULBYBVXKHZOKI-GOSISDBHSA-N 2 2 341.503 3.301 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474797005 458901162 /nfs/dbraw/zinc/90/11/62/458901162.db2.gz PRIMKEUEZSRZQB-QGZVFWFLSA-N 2 2 344.421 3.338 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474797005 458901167 /nfs/dbraw/zinc/90/11/67/458901167.db2.gz PRIMKEUEZSRZQB-QGZVFWFLSA-N 2 2 344.421 3.338 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441345764 458925328 /nfs/dbraw/zinc/92/53/28/458925328.db2.gz HOWWIVNLAQTSTK-ICSRJNTNSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441345764 458925336 /nfs/dbraw/zinc/92/53/36/458925336.db2.gz HOWWIVNLAQTSTK-ICSRJNTNSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441345764 458925337 /nfs/dbraw/zinc/92/53/37/458925337.db2.gz HOWWIVNLAQTSTK-ICSRJNTNSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441345764 458925344 /nfs/dbraw/zinc/92/53/44/458925344.db2.gz HOWWIVNLAQTSTK-ICSRJNTNSA-N 2 2 345.531 3.230 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441363209 458926969 /nfs/dbraw/zinc/92/69/69/458926969.db2.gz YTHRHYFFRNZVKQ-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441363209 458926973 /nfs/dbraw/zinc/92/69/73/458926973.db2.gz YTHRHYFFRNZVKQ-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000441363209 458926976 /nfs/dbraw/zinc/92/69/76/458926976.db2.gz YTHRHYFFRNZVKQ-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000441363209 458926979 /nfs/dbraw/zinc/92/69/79/458926979.db2.gz YTHRHYFFRNZVKQ-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000566438847 458934354 /nfs/dbraw/zinc/93/43/54/458934354.db2.gz UGFSKQDRSCJJGE-GOEBONIOSA-N 2 2 346.862 3.072 20 0 EGADLP CCOc1c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)nn1CC(C)C ZINC000556202072 458936128 /nfs/dbraw/zinc/93/61/28/458936128.db2.gz LZAUMRJDHGHHEE-KRWDZBQOSA-N 2 2 336.524 3.066 20 0 EGADLP CCOc1c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)nn1CC(C)C ZINC000556202072 458936133 /nfs/dbraw/zinc/93/61/33/458936133.db2.gz LZAUMRJDHGHHEE-KRWDZBQOSA-N 2 2 336.524 3.066 20 0 EGADLP COc1ccsc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475343799 458937988 /nfs/dbraw/zinc/93/79/88/458937988.db2.gz ANAYKMQMOKTTIW-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP COc1ccsc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475343799 458937997 /nfs/dbraw/zinc/93/79/97/458937997.db2.gz ANAYKMQMOKTTIW-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP COc1ccsc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475343799 458938003 /nfs/dbraw/zinc/93/80/03/458938003.db2.gz ANAYKMQMOKTTIW-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP COc1ccsc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475343799 458938011 /nfs/dbraw/zinc/93/80/11/458938011.db2.gz ANAYKMQMOKTTIW-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351990 458939439 /nfs/dbraw/zinc/93/94/39/458939439.db2.gz MTGYFZLCUGIVDC-MJGOQNOKSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351990 458939445 /nfs/dbraw/zinc/93/94/45/458939445.db2.gz MTGYFZLCUGIVDC-MJGOQNOKSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351990 458939452 /nfs/dbraw/zinc/93/94/52/458939452.db2.gz MTGYFZLCUGIVDC-MJGOQNOKSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351990 458939459 /nfs/dbraw/zinc/93/94/59/458939459.db2.gz MTGYFZLCUGIVDC-MJGOQNOKSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccnc(OC3CCC(C)CC3)c2)n1C ZINC000566499164 458949476 /nfs/dbraw/zinc/94/94/76/458949476.db2.gz NRCVZIOZWOYVAK-UHFFFAOYSA-N 2 2 328.460 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531948253 459005077 /nfs/dbraw/zinc/00/50/77/459005077.db2.gz XMQFUHREPQTOMZ-ATZDWAIDSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000519831617 459013265 /nfs/dbraw/zinc/01/32/65/459013265.db2.gz CXLRMBNFACMWMB-KSSFIOAISA-N 2 2 333.863 3.468 20 0 EGADLP C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCCc1c[nH+]cn1C ZINC000519831617 459013272 /nfs/dbraw/zinc/01/32/72/459013272.db2.gz CXLRMBNFACMWMB-KSSFIOAISA-N 2 2 333.863 3.468 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CSC[NH2+]3)n2)c1 ZINC000442750149 459030537 /nfs/dbraw/zinc/03/05/37/459030537.db2.gz OGSIAJPCGSVEQN-HNNXBMFYSA-N 2 2 330.457 3.058 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753297 459031789 /nfs/dbraw/zinc/03/17/89/459031789.db2.gz GHLJNTKPPWHLAB-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753297 459031792 /nfs/dbraw/zinc/03/17/92/459031792.db2.gz GHLJNTKPPWHLAB-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000556952706 459036985 /nfs/dbraw/zinc/03/69/85/459036985.db2.gz MPMCMIYVSVMMHX-KUHUBIRLSA-N 2 2 341.430 3.019 20 0 EGADLP CCO[C@@H](CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000520219954 459040589 /nfs/dbraw/zinc/04/05/89/459040589.db2.gz PJCIKINLWKBEDR-XLIONFOSSA-N 2 2 347.503 3.055 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1sccc1Br ZINC000532208302 459047075 /nfs/dbraw/zinc/04/70/75/459047075.db2.gz GJERVOHXDPUVCF-LLVKDONJSA-N 2 2 347.322 3.008 20 0 EGADLP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](Cc1c[nH+]c[nH]1)CC2 ZINC000496156639 459090910 /nfs/dbraw/zinc/09/09/10/459090910.db2.gz UFYAOKSYBQMPDB-UHFFFAOYSA-N 2 2 334.464 3.023 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000521319953 459140147 /nfs/dbraw/zinc/14/01/47/459140147.db2.gz VSRYHIHFERFLMP-GFCCVEGCSA-N 2 2 330.303 3.491 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000521319953 459140150 /nfs/dbraw/zinc/14/01/50/459140150.db2.gz VSRYHIHFERFLMP-GFCCVEGCSA-N 2 2 330.303 3.491 20 0 EGADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000532921906 459159595 /nfs/dbraw/zinc/15/95/95/459159595.db2.gz STHNKMHPSCLIMB-UHFFFAOYSA-N 2 2 344.286 3.206 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)cc1OC ZINC000578202282 459160959 /nfs/dbraw/zinc/16/09/59/459160959.db2.gz AUFRKZCNKGCHFR-GXTWGEPZSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)cc1OC ZINC000578202282 459160962 /nfs/dbraw/zinc/16/09/62/459160962.db2.gz AUFRKZCNKGCHFR-GXTWGEPZSA-N 2 2 347.484 3.139 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCCC[C@@H]3C)c2cc1C ZINC000567770172 459164830 /nfs/dbraw/zinc/16/48/30/459164830.db2.gz ACTVRDCZSFTEFR-JCGIZDLHSA-N 2 2 329.488 3.430 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479777229 459166184 /nfs/dbraw/zinc/16/61/84/459166184.db2.gz OOTRBWZOWRGAGA-SVFBPWRDSA-N 2 2 349.478 3.134 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479777229 459166189 /nfs/dbraw/zinc/16/61/89/459166189.db2.gz OOTRBWZOWRGAGA-SVFBPWRDSA-N 2 2 349.478 3.134 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1cncnc1C)c1ccccc1 ZINC000578522367 459214767 /nfs/dbraw/zinc/21/47/67/459214767.db2.gz JLVMALPTVGLNLK-XLIONFOSSA-N 2 2 342.487 3.145 20 0 EGADLP Cn1nc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000590798628 459224299 /nfs/dbraw/zinc/22/42/99/459224299.db2.gz MHWZLRWKUNINEL-IBGZPJMESA-N 2 2 348.494 3.228 20 0 EGADLP Cn1nc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000590798628 459224304 /nfs/dbraw/zinc/22/43/04/459224304.db2.gz MHWZLRWKUNINEL-IBGZPJMESA-N 2 2 348.494 3.228 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000533527161 459247568 /nfs/dbraw/zinc/24/75/68/459247568.db2.gz MBXLIKMAGSOELD-SFHVURJKSA-N 2 2 342.418 3.357 20 0 EGADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000590928663 459270975 /nfs/dbraw/zinc/27/09/75/459270975.db2.gz PGNMZRLFDSDVTK-FIKGOQFSSA-N 2 2 345.446 3.243 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865796 459274773 /nfs/dbraw/zinc/27/47/73/459274773.db2.gz AZRQEOBNONMLDK-RDJZCZTQSA-N 2 2 348.450 3.390 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865796 459274776 /nfs/dbraw/zinc/27/47/76/459274776.db2.gz AZRQEOBNONMLDK-RDJZCZTQSA-N 2 2 348.450 3.390 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(C)c[nH+]1 ZINC000534325612 459313384 /nfs/dbraw/zinc/31/33/84/459313384.db2.gz FVIGQQSNUIVAKX-MRXNPFEDSA-N 2 2 344.484 3.140 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000482534510 459313862 /nfs/dbraw/zinc/31/38/62/459313862.db2.gz QQQAHLAFRCHGMT-VLCRHTCISA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000482534510 459313871 /nfs/dbraw/zinc/31/38/71/459313871.db2.gz QQQAHLAFRCHGMT-VLCRHTCISA-N 2 2 338.495 3.090 20 0 EGADLP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482644902 459318613 /nfs/dbraw/zinc/31/86/13/459318613.db2.gz ULVZUVRDLWZBBJ-VQIMIIECSA-N 2 2 331.504 3.020 20 0 EGADLP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000482644902 459318617 /nfs/dbraw/zinc/31/86/17/459318617.db2.gz ULVZUVRDLWZBBJ-VQIMIIECSA-N 2 2 331.504 3.020 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000560338523 459326243 /nfs/dbraw/zinc/32/62/43/459326243.db2.gz FINKLNZBXUMTMA-AEFFLSMTSA-N 2 2 328.460 3.034 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3Cn3cc(C4CC4)nn3)cc2)c[nH+]1 ZINC000560341928 459326469 /nfs/dbraw/zinc/32/64/69/459326469.db2.gz RRHAWONJAWVQKA-IBGZPJMESA-N 2 2 348.454 3.006 20 0 EGADLP COc1cc2c(cc1C[NH2+]Cc1cccc(-n3cc[nH+]c3)c1)O[C@@H](C)C2 ZINC000523732986 459327303 /nfs/dbraw/zinc/32/73/03/459327303.db2.gz GXBUWYQYOHKOJV-HNNXBMFYSA-N 2 2 349.434 3.494 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000595505416 459328064 /nfs/dbraw/zinc/32/80/64/459328064.db2.gz TYWWQGFFMMVGTA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000595505416 459328070 /nfs/dbraw/zinc/32/80/70/459328070.db2.gz TYWWQGFFMMVGTA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000595505416 459328076 /nfs/dbraw/zinc/32/80/76/459328076.db2.gz TYWWQGFFMMVGTA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000595505416 459328079 /nfs/dbraw/zinc/32/80/79/459328079.db2.gz TYWWQGFFMMVGTA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367828 459355253 /nfs/dbraw/zinc/35/52/53/459355253.db2.gz GAOPCQRZZVZCBO-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367828 459355257 /nfs/dbraw/zinc/35/52/57/459355257.db2.gz GAOPCQRZZVZCBO-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367828 459355262 /nfs/dbraw/zinc/35/52/62/459355262.db2.gz GAOPCQRZZVZCBO-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367828 459355266 /nfs/dbraw/zinc/35/52/66/459355266.db2.gz GAOPCQRZZVZCBO-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)CCc3ccco3)c2cc1C ZINC000560913043 459406468 /nfs/dbraw/zinc/40/64/68/459406468.db2.gz FUCSJSCRYAVNAC-DLBZAZTESA-N 2 2 341.455 3.218 20 0 EGADLP Cc1ccc(SCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484544971 459418479 /nfs/dbraw/zinc/41/84/79/459418479.db2.gz RBXBACKPJOUIHP-IBGZPJMESA-N 2 2 348.556 3.440 20 0 EGADLP Cc1ccc(SCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484544971 459418482 /nfs/dbraw/zinc/41/84/82/459418482.db2.gz RBXBACKPJOUIHP-IBGZPJMESA-N 2 2 348.556 3.440 20 0 EGADLP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331179 459432587 /nfs/dbraw/zinc/43/25/87/459432587.db2.gz KRLDLWPPZMGMJB-XLIONFOSSA-N 2 2 328.431 3.250 20 0 EGADLP Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331179 459432590 /nfs/dbraw/zinc/43/25/90/459432590.db2.gz KRLDLWPPZMGMJB-XLIONFOSSA-N 2 2 328.431 3.250 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469097 459458062 /nfs/dbraw/zinc/45/80/62/459458062.db2.gz NBYWKOLKHBTJHZ-UXHICEINSA-N 2 2 348.437 3.151 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469097 459458067 /nfs/dbraw/zinc/45/80/67/459458067.db2.gz NBYWKOLKHBTJHZ-UXHICEINSA-N 2 2 348.437 3.151 20 0 EGADLP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591869324 459459119 /nfs/dbraw/zinc/45/91/19/459459119.db2.gz PTMPICKEZBEZMC-SFHVURJKSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591869324 459459126 /nfs/dbraw/zinc/45/91/26/459459126.db2.gz PTMPICKEZBEZMC-SFHVURJKSA-N 2 2 325.391 3.045 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591868345 459460644 /nfs/dbraw/zinc/46/06/44/459460644.db2.gz XHVMZGYTXQTNMQ-FUHWJXTLSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591868345 459460648 /nfs/dbraw/zinc/46/06/48/459460648.db2.gz XHVMZGYTXQTNMQ-FUHWJXTLSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000583079413 459478237 /nfs/dbraw/zinc/47/82/37/459478237.db2.gz RWXJSLVSPHWOSO-OAHLLOKOSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000583079413 459478242 /nfs/dbraw/zinc/47/82/42/459478242.db2.gz RWXJSLVSPHWOSO-OAHLLOKOSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1ccc(OCCC[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1C ZINC000569740285 459502886 /nfs/dbraw/zinc/50/28/86/459502886.db2.gz YNUDLEKLSBEXSQ-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP Cc1ccc(OCCC[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1C ZINC000569740285 459502891 /nfs/dbraw/zinc/50/28/91/459502891.db2.gz YNUDLEKLSBEXSQ-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP COC(=O)C(C)(C)[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccccc1 ZINC000592097216 459524751 /nfs/dbraw/zinc/52/47/51/459524751.db2.gz HEWKSJOGRXSMJE-SFHVURJKSA-N 2 2 326.440 3.463 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2csc(C3CCCCC3)n2)CC12CCOCC2 ZINC000583384029 459529894 /nfs/dbraw/zinc/52/98/94/459529894.db2.gz CSDRBRMAGOILSH-INIZCTEOSA-N 2 2 349.544 3.378 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2csc(C3CCCCC3)n2)CC12CCOCC2 ZINC000583384029 459529901 /nfs/dbraw/zinc/52/99/01/459529901.db2.gz CSDRBRMAGOILSH-INIZCTEOSA-N 2 2 349.544 3.378 20 0 EGADLP c1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000583388686 459530820 /nfs/dbraw/zinc/53/08/20/459530820.db2.gz AOPMCUCFBNSEFD-TZIWHRDSSA-N 2 2 327.516 3.258 20 0 EGADLP c1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000583388686 459530825 /nfs/dbraw/zinc/53/08/25/459530825.db2.gz AOPMCUCFBNSEFD-TZIWHRDSSA-N 2 2 327.516 3.258 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000542489740 459561873 /nfs/dbraw/zinc/56/18/73/459561873.db2.gz XGBFHEXOJGOYCL-BVYCBKJFSA-N 2 2 338.495 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000542489740 459561878 /nfs/dbraw/zinc/56/18/78/459561878.db2.gz XGBFHEXOJGOYCL-BVYCBKJFSA-N 2 2 338.495 3.233 20 0 EGADLP C[C@H]1CCCC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542690436 459581987 /nfs/dbraw/zinc/58/19/87/459581987.db2.gz BVNJVPRBSLZMAW-DOTOQJQBSA-N 2 2 342.487 3.428 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCCc3ccc(C)cc3)CC2)c1 ZINC000543205980 459635994 /nfs/dbraw/zinc/63/59/94/459635994.db2.gz MNKNITCAEIXRAD-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OC2CCCCC2)nc1)c1c[nH+]ccc1N ZINC000562960537 459681084 /nfs/dbraw/zinc/68/10/84/459681084.db2.gz OKHAZJKDWQUCEK-CQSZACIVSA-N 2 2 326.444 3.451 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527649302 459684609 /nfs/dbraw/zinc/68/46/09/459684609.db2.gz NHJUXSAMTGTZQP-NSHDSACASA-N 2 2 346.700 3.317 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527649302 459684614 /nfs/dbraw/zinc/68/46/14/459684614.db2.gz NHJUXSAMTGTZQP-NSHDSACASA-N 2 2 346.700 3.317 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1Cl ZINC000543994928 459716163 /nfs/dbraw/zinc/71/61/63/459716163.db2.gz JMOCRAHRNFVBSW-ZFWWWQNUSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1Cl ZINC000543994928 459716168 /nfs/dbraw/zinc/71/61/68/459716168.db2.gz JMOCRAHRNFVBSW-ZFWWWQNUSA-N 2 2 337.895 3.297 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)n1cc[nH+]c1 ZINC000563216547 459741900 /nfs/dbraw/zinc/74/19/00/459741900.db2.gz HWAOEIGRUDZRNW-OAHLLOKOSA-N 2 2 326.444 3.110 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1cc[nH+]c1 ZINC000563216547 459741905 /nfs/dbraw/zinc/74/19/05/459741905.db2.gz HWAOEIGRUDZRNW-OAHLLOKOSA-N 2 2 326.444 3.110 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000574151237 459785042 /nfs/dbraw/zinc/78/50/42/459785042.db2.gz PMHHUDXFUQLVFG-IOMROCGXSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160760 459804600 /nfs/dbraw/zinc/80/46/00/459804600.db2.gz BAJAGXKTGYGNLD-OTYXRUKQSA-N 2 2 337.678 3.364 20 0 EGADLP O=C(CC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000566117860 459808499 /nfs/dbraw/zinc/80/84/99/459808499.db2.gz VBDRFHLESXKGFN-HXUWFJFHSA-N 2 2 337.467 3.269 20 0 EGADLP O=C(CC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000566117860 459808502 /nfs/dbraw/zinc/80/85/02/459808502.db2.gz VBDRFHLESXKGFN-HXUWFJFHSA-N 2 2 337.467 3.269 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000597242220 459892261 /nfs/dbraw/zinc/89/22/61/459892261.db2.gz VIYWPWUTYDDLEV-UYAOXDASSA-N 2 2 341.455 3.392 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000588689441 459971848 /nfs/dbraw/zinc/97/18/48/459971848.db2.gz ZLAVFCJBJZPQAT-IEBWSBKVSA-N 2 2 342.508 3.306 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000588689441 459971853 /nfs/dbraw/zinc/97/18/53/459971853.db2.gz ZLAVFCJBJZPQAT-IEBWSBKVSA-N 2 2 342.508 3.306 20 0 EGADLP Cc1nccnc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719531 460024797 /nfs/dbraw/zinc/02/47/97/460024797.db2.gz PSFMOLPGWMJTKA-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719531 460024800 /nfs/dbraw/zinc/02/48/00/460024800.db2.gz PSFMOLPGWMJTKA-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000621719531 460024803 /nfs/dbraw/zinc/02/48/03/460024803.db2.gz PSFMOLPGWMJTKA-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000621719531 460024806 /nfs/dbraw/zinc/02/48/06/460024806.db2.gz PSFMOLPGWMJTKA-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]Cc1cnc3ccccc3n1)C2 ZINC000614385830 460124150 /nfs/dbraw/zinc/12/41/50/460124150.db2.gz KQNFHHSPPMADHL-UHFFFAOYSA-N 2 2 332.451 3.168 20 0 EGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1cnc3ccccc3n1)C2 ZINC000614385830 460124156 /nfs/dbraw/zinc/12/41/56/460124156.db2.gz KQNFHHSPPMADHL-UHFFFAOYSA-N 2 2 332.451 3.168 20 0 EGADLP C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1 ZINC000576398249 460132034 /nfs/dbraw/zinc/13/20/34/460132034.db2.gz ACVKZOUJSDSYLS-QGZVFWFLSA-N 2 2 329.831 3.185 20 0 EGADLP CCc1cc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)nc[nH+]1 ZINC000603392907 460296014 /nfs/dbraw/zinc/29/60/14/460296014.db2.gz WPPUDMWHJMZSCD-UHFFFAOYSA-N 2 2 344.890 3.438 20 0 EGADLP Cc1noc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000615317081 460309499 /nfs/dbraw/zinc/30/94/99/460309499.db2.gz UYLAJFAYSTZPSY-HNNXBMFYSA-N 2 2 328.460 3.461 20 0 EGADLP CN1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000623015122 460384290 /nfs/dbraw/zinc/38/42/90/460384290.db2.gz GFFOBPYUSSFPJS-OAQYLSRUSA-N 2 2 329.532 3.172 20 0 EGADLP CN1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000623015122 460384295 /nfs/dbraw/zinc/38/42/95/460384295.db2.gz GFFOBPYUSSFPJS-OAQYLSRUSA-N 2 2 329.532 3.172 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000623089460 460408610 /nfs/dbraw/zinc/40/86/10/460408610.db2.gz IDELJVCHAZILOU-UHFFFAOYSA-N 2 2 329.460 3.089 20 0 EGADLP [NH3+]C1(c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)CCC1 ZINC000634556250 460419026 /nfs/dbraw/zinc/41/90/26/460419026.db2.gz LZUVYBNBJRFGTD-AWEZNQCLSA-N 2 2 332.835 3.398 20 0 EGADLP [NH3+]C1(c2noc([C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)CCC1 ZINC000634556250 460419031 /nfs/dbraw/zinc/41/90/31/460419031.db2.gz LZUVYBNBJRFGTD-AWEZNQCLSA-N 2 2 332.835 3.398 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000628476208 460430482 /nfs/dbraw/zinc/43/04/82/460430482.db2.gz MBGHTXDTFPTINL-UHFFFAOYSA-N 2 2 327.472 3.245 20 0 EGADLP O[C@@]1(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646828 460457870 /nfs/dbraw/zinc/45/78/70/460457870.db2.gz LWUWOGQSFZZCDZ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[N@H+]2CC[C@@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646828 460457877 /nfs/dbraw/zinc/45/78/77/460457877.db2.gz LWUWOGQSFZZCDZ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646828 460457881 /nfs/dbraw/zinc/45/78/81/460457881.db2.gz LWUWOGQSFZZCDZ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646828 460457888 /nfs/dbraw/zinc/45/78/88/460457888.db2.gz LWUWOGQSFZZCDZ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000634678312 460472005 /nfs/dbraw/zinc/47/20/05/460472005.db2.gz PHANIZZUNUVQJG-IEBWSBKVSA-N 2 2 332.488 3.379 20 0 EGADLP C[C@@H](CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCCCC1 ZINC000632432259 460746483 /nfs/dbraw/zinc/74/64/83/460746483.db2.gz ISLWDMDJGLYNSG-HNNXBMFYSA-N 2 2 326.444 3.071 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3scnc32)[C@H](C)C1 ZINC000623894842 460765999 /nfs/dbraw/zinc/76/59/99/460765999.db2.gz CDQQMFCZDAWCNF-OWCLPIDISA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3scnc32)[C@H](C)C1 ZINC000623894842 460766002 /nfs/dbraw/zinc/76/60/02/460766002.db2.gz CDQQMFCZDAWCNF-OWCLPIDISA-N 2 2 337.533 3.247 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000629559314 460806564 /nfs/dbraw/zinc/80/65/64/460806564.db2.gz ASRIXFJWPAWCMD-GHMZBOCLSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000629559314 460806567 /nfs/dbraw/zinc/80/65/67/460806567.db2.gz ASRIXFJWPAWCMD-GHMZBOCLSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567676 460812892 /nfs/dbraw/zinc/81/28/92/460812892.db2.gz PVJRFABWTKEBFB-VXGBXAGGSA-N 2 2 336.785 3.178 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567676 460812896 /nfs/dbraw/zinc/81/28/96/460812896.db2.gz PVJRFABWTKEBFB-VXGBXAGGSA-N 2 2 336.785 3.178 20 0 EGADLP Cc1cn2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2[nH+]1 ZINC000635547397 460826750 /nfs/dbraw/zinc/82/67/50/460826750.db2.gz HFPJLLDSXMENRY-UHFFFAOYSA-N 2 2 328.460 3.029 20 0 EGADLP CCCCc1oc2ccccc2c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653592 460848873 /nfs/dbraw/zinc/84/88/73/460848873.db2.gz QSOZQRZWYOQBLV-UHFFFAOYSA-N 2 2 340.427 3.020 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657248 460850728 /nfs/dbraw/zinc/85/07/28/460850728.db2.gz VFMCYXXYCOJRPV-JQWIXIFHSA-N 2 2 335.439 3.400 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657248 460850734 /nfs/dbraw/zinc/85/07/34/460850734.db2.gz VFMCYXXYCOJRPV-JQWIXIFHSA-N 2 2 335.439 3.400 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1C(F)(F)F ZINC000629657282 460851496 /nfs/dbraw/zinc/85/14/96/460851496.db2.gz VRXVIRMKWKKNLB-ZYHUDNBSSA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1C(F)(F)F ZINC000629657282 460851502 /nfs/dbraw/zinc/85/15/02/460851502.db2.gz VRXVIRMKWKKNLB-ZYHUDNBSSA-N 2 2 344.406 3.097 20 0 EGADLP CC[C@@H](C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086767 460853058 /nfs/dbraw/zinc/85/30/58/460853058.db2.gz VKOPYCLWQUYBEC-GJYPPUQNSA-N 2 2 331.504 3.191 20 0 EGADLP CC[C@@H](C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086767 460853062 /nfs/dbraw/zinc/85/30/62/460853062.db2.gz VKOPYCLWQUYBEC-GJYPPUQNSA-N 2 2 331.504 3.191 20 0 EGADLP C[NH+](C)CCOc1cccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)c1 ZINC000629701671 460875286 /nfs/dbraw/zinc/87/52/86/460875286.db2.gz XUBJZDAHEPYBHY-LJQANCHMSA-N 2 2 341.455 3.280 20 0 EGADLP FC(F)(F)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000628133712 461013451 /nfs/dbraw/zinc/01/34/51/461013451.db2.gz NXRZSMDNJAZLOO-UHFFFAOYSA-N 2 2 348.434 3.311 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1F ZINC000628209510 461049824 /nfs/dbraw/zinc/04/98/24/461049824.db2.gz IOPITQLRZBEIQG-UHFFFAOYSA-N 2 2 326.375 3.475 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628230612 461055378 /nfs/dbraw/zinc/05/53/78/461055378.db2.gz NCOBESFVRABMOH-INIZCTEOSA-N 2 2 347.466 3.340 20 0 EGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000641115523 461118817 /nfs/dbraw/zinc/11/88/17/461118817.db2.gz QEDXJWUKILJBIK-UHFFFAOYSA-N 2 2 327.476 3.393 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cc2[nH+]1 ZINC000668151952 461137460 /nfs/dbraw/zinc/13/74/60/461137460.db2.gz UEWKHXPHRMUGBH-HNNXBMFYSA-N 2 2 343.475 3.276 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2[nH+]1 ZINC000668151952 461137468 /nfs/dbraw/zinc/13/74/68/461137468.db2.gz UEWKHXPHRMUGBH-HNNXBMFYSA-N 2 2 343.475 3.276 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)cc2[nH+]1 ZINC000668158314 461143468 /nfs/dbraw/zinc/14/34/68/461143468.db2.gz PBOBKNLCGJXTRM-MRXNPFEDSA-N 2 2 343.475 3.132 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)cc2[nH+]1 ZINC000668158314 461143477 /nfs/dbraw/zinc/14/34/77/461143477.db2.gz PBOBKNLCGJXTRM-MRXNPFEDSA-N 2 2 343.475 3.132 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCC(CCC[NH+](C)C)CC3)cc2[nH+]1 ZINC000668158224 461144014 /nfs/dbraw/zinc/14/40/14/461144014.db2.gz NDLPAMOLHJNJGS-UHFFFAOYSA-N 2 2 343.475 3.228 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351376 461145095 /nfs/dbraw/zinc/14/50/95/461145095.db2.gz UBRPSEGGOSSPND-DEYYWGMASA-N 2 2 335.879 3.036 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351376 461145103 /nfs/dbraw/zinc/14/51/03/461145103.db2.gz UBRPSEGGOSSPND-DEYYWGMASA-N 2 2 335.879 3.036 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CN(Cc1[nH+]ccn1C(C)C)Cc1ccncc1 ZINC000668159219 461145353 /nfs/dbraw/zinc/14/53/53/461145353.db2.gz NTHZLHVRXWASML-IBGZPJMESA-N 2 2 341.503 3.346 20 0 EGADLP CC[N@H+]1CCC[C@H]1CN(Cc1[nH+]ccn1C(C)C)Cc1ccncc1 ZINC000668159219 461145355 /nfs/dbraw/zinc/14/53/55/461145355.db2.gz NTHZLHVRXWASML-IBGZPJMESA-N 2 2 341.503 3.346 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351524 461146644 /nfs/dbraw/zinc/14/66/44/461146644.db2.gz CNPXTMZJIUGLPJ-XERREHJYSA-N 2 2 343.515 3.199 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351524 461146648 /nfs/dbraw/zinc/14/66/48/461146648.db2.gz CNPXTMZJIUGLPJ-XERREHJYSA-N 2 2 343.515 3.199 20 0 EGADLP CC1CC[NH+](Cc2ccccc2CNc2cc(CO)cc[nH+]2)CC1 ZINC000641295977 461205298 /nfs/dbraw/zinc/20/52/98/461205298.db2.gz VUZADRWNCKFPEX-UHFFFAOYSA-N 2 2 325.456 3.418 20 0 EGADLP C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613847 461222057 /nfs/dbraw/zinc/22/20/57/461222057.db2.gz YHPRKEAXOYRZAB-FUHWJXTLSA-N 2 2 338.455 3.291 20 0 EGADLP C[C@@H](c1ccncc1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613847 461222063 /nfs/dbraw/zinc/22/20/63/461222063.db2.gz YHPRKEAXOYRZAB-FUHWJXTLSA-N 2 2 338.455 3.291 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000668282663 461224941 /nfs/dbraw/zinc/22/49/41/461224941.db2.gz XWYVBGKRJVKOCA-KURKYZTESA-N 2 2 338.499 3.313 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000668282663 461224949 /nfs/dbraw/zinc/22/49/49/461224949.db2.gz XWYVBGKRJVKOCA-KURKYZTESA-N 2 2 338.499 3.313 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718770 461300982 /nfs/dbraw/zinc/30/09/82/461300982.db2.gz GEQAIYOXELYUBM-PWRODBHTSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718770 461300989 /nfs/dbraw/zinc/30/09/89/461300989.db2.gz GEQAIYOXELYUBM-PWRODBHTSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718770 461300995 /nfs/dbraw/zinc/30/09/95/461300995.db2.gz GEQAIYOXELYUBM-PWRODBHTSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718770 461300999 /nfs/dbraw/zinc/30/09/99/461300999.db2.gz GEQAIYOXELYUBM-PWRODBHTSA-N 2 2 346.515 3.167 20 0 EGADLP CN(CC(C)(C)[NH3+])C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000662607117 461317237 /nfs/dbraw/zinc/31/72/37/461317237.db2.gz DLJXPIZSRCCXJL-UHFFFAOYSA-N 2 2 342.487 3.280 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@H]3CCCC[C@]3(C)[NH3+])ccc2n1C1CC1 ZINC000646561989 461332534 /nfs/dbraw/zinc/33/25/34/461332534.db2.gz SAVFNMBQPAPRRK-UZLBHIALSA-N 2 2 340.471 3.203 20 0 EGADLP COc1ccc([C@@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)cc1 ZINC000638280785 461345625 /nfs/dbraw/zinc/34/56/25/461345625.db2.gz FQXJNHZZFBMULX-HXUWFJFHSA-N 2 2 332.488 3.238 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638324700 461369632 /nfs/dbraw/zinc/36/96/32/461369632.db2.gz UIUNYCMFOLQVEN-FPOVZHCZSA-N 2 2 349.478 3.243 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638324700 461369634 /nfs/dbraw/zinc/36/96/34/461369634.db2.gz UIUNYCMFOLQVEN-FPOVZHCZSA-N 2 2 349.478 3.243 20 0 EGADLP c1cc(-c2ccccc2)oc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697175 461370727 /nfs/dbraw/zinc/37/07/27/461370727.db2.gz ONTUUUJZEXFSTR-GOSISDBHSA-N 2 2 326.440 3.290 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655719649 461389622 /nfs/dbraw/zinc/38/96/22/461389622.db2.gz UREBRUJYLIZAQD-GJYPPUQNSA-N 2 2 332.488 3.030 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000641823091 461390001 /nfs/dbraw/zinc/39/00/01/461390001.db2.gz QDMPFGSTNITNME-ZYHUDNBSSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nsc3ccccc32)CC[C@H]1C(F)(F)F ZINC000641823091 461390005 /nfs/dbraw/zinc/39/00/05/461390005.db2.gz QDMPFGSTNITNME-ZYHUDNBSSA-N 2 2 329.391 3.255 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638374674 461394698 /nfs/dbraw/zinc/39/46/98/461394698.db2.gz PLWDTACVSPUFMG-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638374674 461394702 /nfs/dbraw/zinc/39/47/02/461394702.db2.gz PLWDTACVSPUFMG-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1Cl ZINC000655729527 461397086 /nfs/dbraw/zinc/39/70/86/461397086.db2.gz BQNPKEBBHJBTCD-GXTWGEPZSA-N 2 2 326.843 3.383 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000668740549 461410953 /nfs/dbraw/zinc/41/09/53/461410953.db2.gz JSHHQUUQUOXNBL-IBGZPJMESA-N 2 2 344.499 3.039 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000668740549 461410957 /nfs/dbraw/zinc/41/09/57/461410957.db2.gz JSHHQUUQUOXNBL-IBGZPJMESA-N 2 2 344.499 3.039 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000659875038 461476217 /nfs/dbraw/zinc/47/62/17/461476217.db2.gz KFBFQZGAKDQODR-OAHLLOKOSA-N 2 2 332.410 3.231 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000659875038 461476237 /nfs/dbraw/zinc/47/62/37/461476237.db2.gz KFBFQZGAKDQODR-OAHLLOKOSA-N 2 2 332.410 3.231 20 0 EGADLP CCn1c2ccccc2c2cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc21 ZINC000653057335 461479566 /nfs/dbraw/zinc/47/95/66/461479566.db2.gz ZYQFPMHIZQMTOG-QGZVFWFLSA-N 2 2 338.455 3.032 20 0 EGADLP CC(C)Sc1c(Cl)cccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653064684 461482490 /nfs/dbraw/zinc/48/24/90/461482490.db2.gz ASYGOBDCZCAZGY-GFCCVEGCSA-N 2 2 329.897 3.058 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849425 461496403 /nfs/dbraw/zinc/49/64/03/461496403.db2.gz OSCJLJAVHTYMJI-BHIYHBOVSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849425 461496410 /nfs/dbraw/zinc/49/64/10/461496410.db2.gz OSCJLJAVHTYMJI-BHIYHBOVSA-N 2 2 329.488 3.035 20 0 EGADLP CC(C)c1ccc(C2(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC2)cc1 ZINC000653088939 461496570 /nfs/dbraw/zinc/49/65/70/461496570.db2.gz SAMMYRMVSFSERL-LJQANCHMSA-N 2 2 345.531 3.017 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(OC)c1OC ZINC000655849895 461497595 /nfs/dbraw/zinc/49/75/95/461497595.db2.gz QOYSUZKQIRKKNZ-BHYGNILZSA-N 2 2 348.487 3.380 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(OC)c1OC ZINC000655849895 461497600 /nfs/dbraw/zinc/49/76/00/461497600.db2.gz QOYSUZKQIRKKNZ-BHYGNILZSA-N 2 2 348.487 3.380 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655850484 461498004 /nfs/dbraw/zinc/49/80/04/461498004.db2.gz WBFWHZXCZQNAHY-UHOSZYNNSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655850484 461498011 /nfs/dbraw/zinc/49/80/11/461498011.db2.gz WBFWHZXCZQNAHY-UHOSZYNNSA-N 2 2 329.488 3.319 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849905 461498165 /nfs/dbraw/zinc/49/81/65/461498165.db2.gz QQZWCBXRQRWWRO-OLMNPRSZSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849905 461498169 /nfs/dbraw/zinc/49/81/69/461498169.db2.gz QQZWCBXRQRWWRO-OLMNPRSZSA-N 2 2 333.451 3.149 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000666243691 461527451 /nfs/dbraw/zinc/52/74/51/461527451.db2.gz VMMDHNBUJBBMCX-ZACQAIPSSA-N 2 2 338.442 3.178 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[N@H+]1Cc1ccccc1 ZINC000666243691 461527461 /nfs/dbraw/zinc/52/74/61/461527461.db2.gz VMMDHNBUJBBMCX-ZACQAIPSSA-N 2 2 338.442 3.178 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000631128921 461573856 /nfs/dbraw/zinc/57/38/56/461573856.db2.gz RYICNHIKOOUOIF-MRXNPFEDSA-N 2 2 346.496 3.310 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000663352306 461581952 /nfs/dbraw/zinc/58/19/52/461581952.db2.gz SZTZHFCEKHIZPP-KRWDZBQOSA-N 2 2 333.439 3.110 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069271 461602719 /nfs/dbraw/zinc/60/27/19/461602719.db2.gz QMNFRGVBMBKMTC-FZMZJTMJSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069271 461602723 /nfs/dbraw/zinc/60/27/23/461602723.db2.gz QMNFRGVBMBKMTC-FZMZJTMJSA-N 2 2 342.270 3.006 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826812 461603579 /nfs/dbraw/zinc/60/35/79/461603579.db2.gz VFKYAEZSJKTSGI-QGTPRVQTSA-N 2 2 340.870 3.487 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826812 461603587 /nfs/dbraw/zinc/60/35/87/461603587.db2.gz VFKYAEZSJKTSGI-QGTPRVQTSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1CN(c2ccc(CNc3[nH+]ccc4[nH]ccc43)c[nH+]2)C[C@H](C)O1 ZINC000663390392 461611813 /nfs/dbraw/zinc/61/18/13/461611813.db2.gz HWNMMAKJQHDCPP-OKILXGFUSA-N 2 2 337.427 3.184 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]CCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849274 461614767 /nfs/dbraw/zinc/61/47/67/461614767.db2.gz RSWHSQLAAASUBZ-FPOVZHCZSA-N 3 2 327.516 3.430 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]CCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849276 461614937 /nfs/dbraw/zinc/61/49/37/461614937.db2.gz RSWHSQLAAASUBZ-TZIWHRDSSA-N 3 2 327.516 3.430 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638860535 461623401 /nfs/dbraw/zinc/62/34/01/461623401.db2.gz ZBDQHTQNGRKQJN-ZTTFOMCMSA-N 2 2 343.515 3.247 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638860535 461623410 /nfs/dbraw/zinc/62/34/10/461623410.db2.gz ZBDQHTQNGRKQJN-ZTTFOMCMSA-N 2 2 343.515 3.247 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650189308 461631082 /nfs/dbraw/zinc/63/10/82/461631082.db2.gz CCMSBINXJDALCT-SFHVURJKSA-N 2 2 338.455 3.089 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650189308 461631086 /nfs/dbraw/zinc/63/10/86/461631086.db2.gz CCMSBINXJDALCT-SFHVURJKSA-N 2 2 338.455 3.089 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631194167 461632652 /nfs/dbraw/zinc/63/26/52/461632652.db2.gz JFMHQNYVKTYMKO-MJGOQNOKSA-N 2 2 326.488 3.322 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631194167 461632657 /nfs/dbraw/zinc/63/26/57/461632657.db2.gz JFMHQNYVKTYMKO-MJGOQNOKSA-N 2 2 326.488 3.322 20 0 EGADLP COc1cc2cc[nH+]c(N3CCC(n4cc[nH+]c4)CC3)c2cc1OC ZINC000663481895 461667278 /nfs/dbraw/zinc/66/72/78/461667278.db2.gz PDENQKRZNOYMDD-UHFFFAOYSA-N 2 2 338.411 3.290 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(-c2ccccc2F)nc1C ZINC000656255742 461678593 /nfs/dbraw/zinc/67/85/93/461678593.db2.gz OHUZZWAFTMFZLX-MSOLQXFVSA-N 2 2 342.462 3.378 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(-c2ccccc2F)nc1C ZINC000656255742 461678598 /nfs/dbraw/zinc/67/85/98/461678598.db2.gz OHUZZWAFTMFZLX-MSOLQXFVSA-N 2 2 342.462 3.378 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2ccccc2F)nc1C ZINC000656255742 461678600 /nfs/dbraw/zinc/67/86/00/461678600.db2.gz OHUZZWAFTMFZLX-MSOLQXFVSA-N 2 2 342.462 3.378 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(-c2ccccc2F)nc1C ZINC000656255742 461678604 /nfs/dbraw/zinc/67/86/04/461678604.db2.gz OHUZZWAFTMFZLX-MSOLQXFVSA-N 2 2 342.462 3.378 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000663509614 461679072 /nfs/dbraw/zinc/67/90/72/461679072.db2.gz KVCORVBLYFWOCH-OAHLLOKOSA-N 2 2 340.496 3.357 20 0 EGADLP c1sc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)nc1-c1ccccc1 ZINC000656260446 461683935 /nfs/dbraw/zinc/68/39/35/461683935.db2.gz PIEFNFWDRIKTHA-QGZVFWFLSA-N 2 2 343.496 3.153 20 0 EGADLP CCSc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000656281188 461703819 /nfs/dbraw/zinc/70/38/19/461703819.db2.gz QQJQZKCAWALWQI-SFHVURJKSA-N 2 2 334.529 3.485 20 0 EGADLP CCSc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000656281188 461703824 /nfs/dbraw/zinc/70/38/24/461703824.db2.gz QQJQZKCAWALWQI-SFHVURJKSA-N 2 2 334.529 3.485 20 0 EGADLP Cc1ncc([C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082199 461716262 /nfs/dbraw/zinc/71/62/62/461716262.db2.gz XVVRXYSFIOZWKI-VQIMIIECSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@@H](C)[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082199 461716269 /nfs/dbraw/zinc/71/62/69/461716269.db2.gz XVVRXYSFIOZWKI-VQIMIIECSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@@H](C)[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082199 461716276 /nfs/dbraw/zinc/71/62/76/461716276.db2.gz XVVRXYSFIOZWKI-VQIMIIECSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082199 461716282 /nfs/dbraw/zinc/71/62/82/461716282.db2.gz XVVRXYSFIOZWKI-VQIMIIECSA-N 2 2 339.487 3.003 20 0 EGADLP c1cc2c(nc[nH+]c2N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)[nH]1 ZINC000631335498 461717596 /nfs/dbraw/zinc/71/75/96/461717596.db2.gz VNNSGZFSTQLZEV-UHFFFAOYSA-N 2 2 332.411 3.293 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483069 461730011 /nfs/dbraw/zinc/73/00/11/461730011.db2.gz WSEDMGJLUXCXDJ-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647483069 461730018 /nfs/dbraw/zinc/73/00/18/461730018.db2.gz WSEDMGJLUXCXDJ-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CCN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000663672270 461747063 /nfs/dbraw/zinc/74/70/63/461747063.db2.gz ZMQNWCTVWQNJQT-ZDUSSCGKSA-N 2 2 341.297 3.024 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000663672270 461747071 /nfs/dbraw/zinc/74/70/71/461747071.db2.gz ZMQNWCTVWQNJQT-ZDUSSCGKSA-N 2 2 341.297 3.024 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000643506660 461748004 /nfs/dbraw/zinc/74/80/04/461748004.db2.gz DROGSUIJZDCNHF-RHSMWYFYSA-N 2 2 336.451 3.176 20 0 EGADLP [NH3+]C1(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCC1 ZINC000643517842 461750592 /nfs/dbraw/zinc/75/05/92/461750592.db2.gz JGWFVAKZZKCZAI-HUUCEWRRSA-N 2 2 339.277 3.140 20 0 EGADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000643527978 461754519 /nfs/dbraw/zinc/75/45/19/461754519.db2.gz WSIXNQXQTSIPCY-HTQZYQBOSA-N 2 2 325.172 3.466 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547831 461760356 /nfs/dbraw/zinc/76/03/56/461760356.db2.gz JOPJVHOEGNHNDG-BURNTYAHSA-N 3 2 339.527 3.446 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547831 461760362 /nfs/dbraw/zinc/76/03/62/461760362.db2.gz JOPJVHOEGNHNDG-BURNTYAHSA-N 3 2 339.527 3.446 20 0 EGADLP COc1cccc2c(N3C[C@H](OC)C[C@H]3c3[nH]cc[nH+]3)cc(C)[nH+]c12 ZINC000643745178 461795576 /nfs/dbraw/zinc/79/55/76/461795576.db2.gz WCOFDRHWSBKKBJ-CJNGLKHVSA-N 2 2 338.411 3.241 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660483533 461806339 /nfs/dbraw/zinc/80/63/39/461806339.db2.gz PXLGRYAXPMSQKM-QUCCMNQESA-N 2 2 328.500 3.151 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660483533 461806343 /nfs/dbraw/zinc/80/63/43/461806343.db2.gz PXLGRYAXPMSQKM-QUCCMNQESA-N 2 2 328.500 3.151 20 0 EGADLP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000660496313 461815034 /nfs/dbraw/zinc/81/50/34/461815034.db2.gz GHZWHYVDPUMBAX-AWEZNQCLSA-N 2 2 335.473 3.007 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)on1 ZINC000660496313 461815039 /nfs/dbraw/zinc/81/50/39/461815039.db2.gz GHZWHYVDPUMBAX-AWEZNQCLSA-N 2 2 335.473 3.007 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)on1 ZINC000660496313 461815044 /nfs/dbraw/zinc/81/50/44/461815044.db2.gz GHZWHYVDPUMBAX-AWEZNQCLSA-N 2 2 335.473 3.007 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)on1 ZINC000660496313 461815050 /nfs/dbraw/zinc/81/50/50/461815050.db2.gz GHZWHYVDPUMBAX-AWEZNQCLSA-N 2 2 335.473 3.007 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)CCC[NH3+] ZINC000647847577 461858068 /nfs/dbraw/zinc/85/80/68/461858068.db2.gz VTFYZEPMKORHNL-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCC[NH3+] ZINC000647847577 461858071 /nfs/dbraw/zinc/85/80/71/461858071.db2.gz VTFYZEPMKORHNL-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647871206 461866059 /nfs/dbraw/zinc/86/60/59/461866059.db2.gz ZJTLHLQTGRTVAD-GFCCVEGCSA-N 2 2 344.286 3.253 20 0 EGADLP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000647871206 461866065 /nfs/dbraw/zinc/86/60/65/461866065.db2.gz ZJTLHLQTGRTVAD-GFCCVEGCSA-N 2 2 344.286 3.253 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)cc1O ZINC000639337340 461868629 /nfs/dbraw/zinc/86/86/29/461868629.db2.gz MDKYZXBPEOPCHU-AWEZNQCLSA-N 2 2 338.879 3.266 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)cc1O ZINC000639337340 461868635 /nfs/dbraw/zinc/86/86/35/461868635.db2.gz MDKYZXBPEOPCHU-AWEZNQCLSA-N 2 2 338.879 3.266 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000639354773 461878332 /nfs/dbraw/zinc/87/83/32/461878332.db2.gz NZAUQLLBOUSRHN-UHFFFAOYSA-N 2 2 339.430 3.096 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621363 461884384 /nfs/dbraw/zinc/88/43/84/461884384.db2.gz MJBXPSXNHYDBLV-DOTOQJQBSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621363 461884390 /nfs/dbraw/zinc/88/43/90/461884390.db2.gz MJBXPSXNHYDBLV-DOTOQJQBSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621363 461884396 /nfs/dbraw/zinc/88/43/96/461884396.db2.gz MJBXPSXNHYDBLV-DOTOQJQBSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000660621363 461884402 /nfs/dbraw/zinc/88/44/02/461884402.db2.gz MJBXPSXNHYDBLV-DOTOQJQBSA-N 2 2 342.936 3.208 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000656786021 461895037 /nfs/dbraw/zinc/89/50/37/461895037.db2.gz SXTTZJUQXKOGSW-OAHLLOKOSA-N 2 2 326.868 3.067 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000656786021 461895043 /nfs/dbraw/zinc/89/50/43/461895043.db2.gz SXTTZJUQXKOGSW-OAHLLOKOSA-N 2 2 326.868 3.067 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)c2)cn1 ZINC000656788553 461897463 /nfs/dbraw/zinc/89/74/63/461897463.db2.gz ATMSMJDBEGGUOV-RTBURBONSA-N 2 2 338.480 3.169 20 0 EGADLP Clc1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000656787870 461898597 /nfs/dbraw/zinc/89/85/97/461898597.db2.gz XXGMVAQSJRLFPC-CYBMUJFWSA-N 2 2 328.287 3.115 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1F ZINC000656790417 461899077 /nfs/dbraw/zinc/89/90/77/461899077.db2.gz QQNKUXCHNTWFNK-SJLPKXTDSA-N 2 2 332.394 3.209 20 0 EGADLP Cc1cccn2c(CN[C@@H]3C[NH2+]CC[C@@H]3c3cccc(F)c3)c[nH+]c12 ZINC000656789830 461899692 /nfs/dbraw/zinc/89/96/92/461899692.db2.gz AFTDJFIBDSQCTF-RTBURBONSA-N 2 2 338.430 3.017 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)on2)cc1 ZINC000660656001 461908086 /nfs/dbraw/zinc/90/80/86/461908086.db2.gz OOPNPXHYPPDWMK-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)on2)cc1 ZINC000660656001 461908095 /nfs/dbraw/zinc/90/80/95/461908095.db2.gz OOPNPXHYPPDWMK-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)on2)cc1 ZINC000660656001 461908096 /nfs/dbraw/zinc/90/80/96/461908096.db2.gz OOPNPXHYPPDWMK-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)on2)cc1 ZINC000660656001 461908099 /nfs/dbraw/zinc/90/80/99/461908099.db2.gz OOPNPXHYPPDWMK-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000648163407 461994766 /nfs/dbraw/zinc/99/47/66/461994766.db2.gz CKKSCWIFXYEDBI-UHFFFAOYSA-N 2 2 342.487 3.280 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OCC ZINC000657289177 462020475 /nfs/dbraw/zinc/02/04/75/462020475.db2.gz HYZJNYKFCNIAEY-AWEZNQCLSA-N 2 2 329.444 3.478 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657322968 462045384 /nfs/dbraw/zinc/04/53/84/462045384.db2.gz LOSWMAOFWTYFRQ-UHFFFAOYSA-N 2 2 335.455 3.046 20 0 EGADLP Cc1cc(NC(=O)N2CCC(C)([NH3+])CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000667345689 462050227 /nfs/dbraw/zinc/05/02/27/462050227.db2.gz KKNFPUXLWBLNOL-OAHLLOKOSA-N 2 2 345.491 3.114 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1F ZINC000657330070 462051445 /nfs/dbraw/zinc/05/14/45/462051445.db2.gz ZBYSRFWSVDGMAK-UHFFFAOYSA-N 2 2 339.418 3.221 20 0 EGADLP Fc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1OC(F)F ZINC000657391046 462092774 /nfs/dbraw/zinc/09/27/74/462092774.db2.gz MUSBSHITFJLNPQ-UHFFFAOYSA-N 2 2 325.334 3.414 20 0 EGADLP FC(F)(F)c1cc[nH+]c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1 ZINC000664538540 462097245 /nfs/dbraw/zinc/09/72/45/462097245.db2.gz GHERCNGKLURJRJ-ZIAGYGMSSA-N 2 2 341.377 3.156 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843082 462102246 /nfs/dbraw/zinc/10/22/46/462102246.db2.gz NLHYKOFUGSIQLQ-IBGZPJMESA-N 2 2 344.890 3.112 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843082 462102249 /nfs/dbraw/zinc/10/22/49/462102249.db2.gz NLHYKOFUGSIQLQ-IBGZPJMESA-N 2 2 344.890 3.112 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843082 462102252 /nfs/dbraw/zinc/10/22/52/462102252.db2.gz NLHYKOFUGSIQLQ-IBGZPJMESA-N 2 2 344.890 3.112 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843082 462102255 /nfs/dbraw/zinc/10/22/55/462102255.db2.gz NLHYKOFUGSIQLQ-IBGZPJMESA-N 2 2 344.890 3.112 20 0 EGADLP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414567 462107716 /nfs/dbraw/zinc/10/77/16/462107716.db2.gz BSUWQIZXWVSUQN-HKUYNNGSSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414567 462107719 /nfs/dbraw/zinc/10/77/19/462107719.db2.gz BSUWQIZXWVSUQN-HKUYNNGSSA-N 3 2 338.499 3.220 20 0 EGADLP c1coc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000661161570 462128387 /nfs/dbraw/zinc/12/83/87/462128387.db2.gz UYGDXMMGQVBOHR-UHFFFAOYSA-N 2 2 340.467 3.491 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCO1 ZINC000648457105 462128713 /nfs/dbraw/zinc/12/87/13/462128713.db2.gz MLANWEOEKDAQHN-DFQSSKMNSA-N 2 2 346.515 3.434 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667532998 462130745 /nfs/dbraw/zinc/13/07/45/462130745.db2.gz BSVWBMMACCNCEJ-DOTOQJQBSA-N 2 2 329.444 3.203 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664678881 462146425 /nfs/dbraw/zinc/14/64/25/462146425.db2.gz PNYUVPPBSOJTEQ-HNNXBMFYSA-N 2 2 330.476 3.205 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678881 462146429 /nfs/dbraw/zinc/14/64/29/462146429.db2.gz PNYUVPPBSOJTEQ-HNNXBMFYSA-N 2 2 330.476 3.205 20 0 EGADLP C[C@H]1C[C@@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667617892 462173976 /nfs/dbraw/zinc/17/39/76/462173976.db2.gz DOIQATAXPJHVOO-HKUYNNGSSA-N 2 2 338.499 3.314 20 0 EGADLP C[C@H]1C[C@@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667617892 462173979 /nfs/dbraw/zinc/17/39/79/462173979.db2.gz DOIQATAXPJHVOO-HKUYNNGSSA-N 2 2 338.499 3.314 20 0 EGADLP Cc1cccn2c(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)c[nH+]c12 ZINC000657613286 462203803 /nfs/dbraw/zinc/20/38/03/462203803.db2.gz WXSKCAQCCGSVLX-UHFFFAOYSA-N 3 2 349.482 3.040 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983238 462204694 /nfs/dbraw/zinc/20/46/94/462204694.db2.gz PVFXOFNEBNKVCK-SFHVURJKSA-N 2 2 343.515 3.156 20 0 EGADLP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)CC1CC1 ZINC000657717901 462240564 /nfs/dbraw/zinc/24/05/64/462240564.db2.gz OZHOTZOMUGGRKB-KRWDZBQOSA-N 2 2 336.907 3.303 20 0 EGADLP Clc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000657751166 462251318 /nfs/dbraw/zinc/25/13/18/462251318.db2.gz JCKJSSPEQRLYOJ-CQSZACIVSA-N 2 2 329.271 3.336 20 0 EGADLP Clc1ccc2cccnc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657753523 462253301 /nfs/dbraw/zinc/25/33/01/462253301.db2.gz XFOAOXMNPORSAF-MRXNPFEDSA-N 2 2 345.874 3.231 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000640115390 462265297 /nfs/dbraw/zinc/26/52/97/462265297.db2.gz DVXFZXZZMHXSQY-UHFFFAOYSA-N 2 2 341.459 3.207 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000657794339 462268833 /nfs/dbraw/zinc/26/88/33/462268833.db2.gz XWNTXHOHDREKLE-IBGZPJMESA-N 2 2 338.442 3.385 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cncc(Br)c1 ZINC000657835430 462290160 /nfs/dbraw/zinc/29/01/60/462290160.db2.gz XHEGEHPZMOHKDK-LBPRGKRZSA-N 2 2 345.244 3.385 20 0 EGADLP CCC(CC)(C[NH2+][C@@H](C)Cn1cncn1)[NH2+][C@H](C)c1ccccc1 ZINC000657891392 462310192 /nfs/dbraw/zinc/31/01/92/462310192.db2.gz XFLXRPBOMDETRT-DLBZAZTESA-N 2 2 329.492 3.166 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000651797388 462339471 /nfs/dbraw/zinc/33/94/71/462339471.db2.gz NWCJHLFOCQBHPU-UHFFFAOYSA-N 2 2 335.455 3.312 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000661646757 462347426 /nfs/dbraw/zinc/34/74/26/462347426.db2.gz HQELVGXXLPYUPK-OAQYLSRUSA-N 2 2 340.515 3.221 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000661646757 462347434 /nfs/dbraw/zinc/34/74/34/462347434.db2.gz HQELVGXXLPYUPK-OAQYLSRUSA-N 2 2 340.515 3.221 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661646757 462347437 /nfs/dbraw/zinc/34/74/37/462347437.db2.gz HQELVGXXLPYUPK-OAQYLSRUSA-N 2 2 340.515 3.221 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661646757 462347440 /nfs/dbraw/zinc/34/74/40/462347440.db2.gz HQELVGXXLPYUPK-OAQYLSRUSA-N 2 2 340.515 3.221 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](C4CCC4)C3)c2cc1C ZINC000665286639 462385962 /nfs/dbraw/zinc/38/59/62/462385962.db2.gz QTTGEIZEBPWBPM-MSOLQXFVSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](C4CCC4)C3)c2cc1C ZINC000665286639 462385966 /nfs/dbraw/zinc/38/59/66/462385966.db2.gz QTTGEIZEBPWBPM-MSOLQXFVSA-N 2 2 327.472 3.136 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159021 462456137 /nfs/dbraw/zinc/45/61/37/462456137.db2.gz QBWYGBNVHFASIV-LXZKKBNFSA-N 2 2 348.487 3.378 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159021 462456141 /nfs/dbraw/zinc/45/61/41/462456141.db2.gz QBWYGBNVHFASIV-LXZKKBNFSA-N 2 2 348.487 3.378 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286781 462456287 /nfs/dbraw/zinc/45/62/87/462456287.db2.gz VBUAHJLMNYINHM-HOTGVXAUSA-N 2 2 336.476 3.237 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286781 462456292 /nfs/dbraw/zinc/45/62/92/462456292.db2.gz VBUAHJLMNYINHM-HOTGVXAUSA-N 2 2 336.476 3.237 20 0 EGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658292733 462460469 /nfs/dbraw/zinc/46/04/69/462460469.db2.gz AJNGKZKSPWYLQD-QHAWAJNXSA-N 2 2 328.500 3.474 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000658297084 462462646 /nfs/dbraw/zinc/46/26/46/462462646.db2.gz YAAHQIANJBIDNU-RLLQIKCJSA-N 2 2 344.499 3.075 20 0 EGADLP CCc1cc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000649275930 462465590 /nfs/dbraw/zinc/46/55/90/462465590.db2.gz NKFZBDYEJJOBBV-LJQANCHMSA-N 2 2 345.874 3.153 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649315806 462477432 /nfs/dbraw/zinc/47/74/32/462477432.db2.gz PADONTBPCNHZDG-KMUNFCNLSA-N 2 2 329.787 3.216 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CCC(C)([NH3+])CC3)cs2)c1OC ZINC000649415967 462503490 /nfs/dbraw/zinc/50/34/90/462503490.db2.gz DXNZCKLHASPCNL-UHFFFAOYSA-N 2 2 347.484 3.141 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000181968869 534159116 /nfs/dbraw/zinc/15/91/16/534159116.db2.gz QNNAQYDYTWMRSE-UHFFFAOYSA-N 2 2 333.819 3.160 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917440 527821904 /nfs/dbraw/zinc/82/19/04/527821904.db2.gz FMZIBIYUGHSHOY-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917440 527821909 /nfs/dbraw/zinc/82/19/09/527821909.db2.gz FMZIBIYUGHSHOY-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917440 527821914 /nfs/dbraw/zinc/82/19/14/527821914.db2.gz FMZIBIYUGHSHOY-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917440 527821918 /nfs/dbraw/zinc/82/19/18/527821918.db2.gz FMZIBIYUGHSHOY-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886777 /nfs/dbraw/zinc/88/67/77/527886777.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 3 2 329.532 3.359 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886783 /nfs/dbraw/zinc/88/67/83/527886783.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886789 /nfs/dbraw/zinc/88/67/89/527886789.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133024799 527886795 /nfs/dbraw/zinc/88/67/95/527886795.db2.gz CQLVGNNCXHCXGG-UKAVVXHISA-N 3 2 329.532 3.359 20 0 EGADLP CC(C)C[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000187743918 527962869 /nfs/dbraw/zinc/96/28/69/527962869.db2.gz IIVUAJDPKAMNBD-GOSISDBHSA-N 2 2 330.451 3.348 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000173792171 528185448 /nfs/dbraw/zinc/18/54/48/528185448.db2.gz SYDQVFVFKHLLEK-RBUKOAKNSA-N 2 2 345.531 3.006 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000173792171 528185452 /nfs/dbraw/zinc/18/54/52/528185452.db2.gz SYDQVFVFKHLLEK-RBUKOAKNSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179436337 528194580 /nfs/dbraw/zinc/19/45/80/528194580.db2.gz MPMXOJDJDNOVGX-UHFFFAOYSA-N 2 2 326.488 3.238 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000179436337 528194583 /nfs/dbraw/zinc/19/45/83/528194583.db2.gz MPMXOJDJDNOVGX-UHFFFAOYSA-N 2 2 326.488 3.238 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000185226886 534930219 /nfs/dbraw/zinc/93/02/19/534930219.db2.gz IMMVBWBXCQHIHQ-MDNKFWRPSA-N 2 2 345.531 3.474 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000185226886 534930228 /nfs/dbraw/zinc/93/02/28/534930228.db2.gz IMMVBWBXCQHIHQ-MDNKFWRPSA-N 2 2 345.531 3.474 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000356813802 535017055 /nfs/dbraw/zinc/01/70/55/535017055.db2.gz QTTFYKHCRNZHDA-OAHLLOKOSA-N 2 2 327.428 3.332 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000356813802 535017060 /nfs/dbraw/zinc/01/70/60/535017060.db2.gz QTTFYKHCRNZHDA-OAHLLOKOSA-N 2 2 327.428 3.332 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000369646652 535073181 /nfs/dbraw/zinc/07/31/81/535073181.db2.gz IKUUXFFYTABMOT-ABSDTBQOSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000369646652 535073195 /nfs/dbraw/zinc/07/31/95/535073195.db2.gz IKUUXFFYTABMOT-ABSDTBQOSA-N 2 2 345.531 3.180 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934036 536464680 /nfs/dbraw/zinc/46/46/80/536464680.db2.gz UCNCXRMVCGZGDT-OXQOHEQNSA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934036 536464683 /nfs/dbraw/zinc/46/46/83/536464683.db2.gz UCNCXRMVCGZGDT-OXQOHEQNSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934036 536464684 /nfs/dbraw/zinc/46/46/84/536464684.db2.gz UCNCXRMVCGZGDT-OXQOHEQNSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934036 536464686 /nfs/dbraw/zinc/46/46/86/536464686.db2.gz UCNCXRMVCGZGDT-OXQOHEQNSA-N 2 2 325.431 3.414 20 0 EGADLP COC(=O)[C@@]12C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]1CCCC2 ZINC000342829068 536587916 /nfs/dbraw/zinc/58/79/16/536587916.db2.gz ZPBPUEGHZAYYCJ-KSSFIOAISA-N 2 2 345.468 3.099 20 0 EGADLP COC(=O)[C@@]12C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]1CCCC2 ZINC000342829068 536587921 /nfs/dbraw/zinc/58/79/21/536587921.db2.gz ZPBPUEGHZAYYCJ-KSSFIOAISA-N 2 2 345.468 3.099 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000090400585 546655659 /nfs/dbraw/zinc/65/56/59/546655659.db2.gz CQTDRNQOQNRTPB-AWEZNQCLSA-N 2 2 331.485 3.135 20 0 EGADLP Cc1cccnc1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000121935496 546730674 /nfs/dbraw/zinc/73/06/74/546730674.db2.gz SXPKOPWGTQOJRN-WOJBJXKFSA-N 2 2 341.499 3.170 20 0 EGADLP Cc1cccnc1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000121935496 546730678 /nfs/dbraw/zinc/73/06/78/546730678.db2.gz SXPKOPWGTQOJRN-WOJBJXKFSA-N 2 2 341.499 3.170 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cs1 ZINC000133131125 546817377 /nfs/dbraw/zinc/81/73/77/546817377.db2.gz UNBAFDNXLWMSSE-UHFFFAOYSA-N 2 2 344.528 3.272 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000163688215 546973182 /nfs/dbraw/zinc/97/31/82/546973182.db2.gz MYBWKVGRTZWFFD-GJZGRUSLSA-N 2 2 347.528 3.489 20 0 EGADLP CCc1nn(C)cc1C[N@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582197 547057809 /nfs/dbraw/zinc/05/78/09/547057809.db2.gz GGKVPFBJQAHJPG-LJQANCHMSA-N 2 2 340.515 3.327 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180582197 547057813 /nfs/dbraw/zinc/05/78/13/547057813.db2.gz GGKVPFBJQAHJPG-LJQANCHMSA-N 2 2 340.515 3.327 20 0 EGADLP CCc1nn(C)cc1C[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180582197 547057817 /nfs/dbraw/zinc/05/78/17/547057817.db2.gz GGKVPFBJQAHJPG-LJQANCHMSA-N 2 2 340.515 3.327 20 0 EGADLP CCc1nn(C)cc1C[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180582197 547057819 /nfs/dbraw/zinc/05/78/19/547057819.db2.gz GGKVPFBJQAHJPG-LJQANCHMSA-N 2 2 340.515 3.327 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC000188839610 547151317 /nfs/dbraw/zinc/15/13/17/547151317.db2.gz JVVYLYKFLLRUGZ-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000188839610 547151323 /nfs/dbraw/zinc/15/13/23/547151323.db2.gz JVVYLYKFLLRUGZ-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074888 547569398 /nfs/dbraw/zinc/56/93/98/547569398.db2.gz MPAKTDGQQADNSE-PMACEKPBSA-N 3 2 331.479 3.007 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339074888 547569400 /nfs/dbraw/zinc/56/94/00/547569400.db2.gz MPAKTDGQQADNSE-PMACEKPBSA-N 3 2 331.479 3.007 20 0 EGADLP c1cn(-c2cccc(-c3noc(C4CC[NH+](C5CC5)CC4)n3)c2)c[nH+]1 ZINC000350047701 547651822 /nfs/dbraw/zinc/65/18/22/547651822.db2.gz OJICCNPMSSZNIS-UHFFFAOYSA-N 2 2 335.411 3.264 20 0 EGADLP O=C1Nc2ccccc2CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000388090679 547825817 /nfs/dbraw/zinc/82/58/17/547825817.db2.gz VUGWOJYRFUNSTK-NRFANRHFSA-N 2 2 349.478 3.194 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000399140348 547836813 /nfs/dbraw/zinc/83/68/13/547836813.db2.gz UEDCBOBOQKMSPA-YOEHRIQHSA-N 2 2 331.485 3.152 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)sn1 ZINC000399140348 547836816 /nfs/dbraw/zinc/83/68/16/547836816.db2.gz UEDCBOBOQKMSPA-YOEHRIQHSA-N 2 2 331.485 3.152 20 0 EGADLP c1coc([C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000671681578 548332547 /nfs/dbraw/zinc/33/25/47/548332547.db2.gz DDNXULREWFEDCO-LJQANCHMSA-N 2 2 339.483 3.281 20 0 EGADLP c1coc([C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000671681578 548332552 /nfs/dbraw/zinc/33/25/52/548332552.db2.gz DDNXULREWFEDCO-LJQANCHMSA-N 2 2 339.483 3.281 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000676491259 549096653 /nfs/dbraw/zinc/09/66/53/549096653.db2.gz YRKXUQVINZLASE-AWEZNQCLSA-N 2 2 345.512 3.443 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000677184022 549224653 /nfs/dbraw/zinc/22/46/53/549224653.db2.gz WTVWAWCNFGAGSM-MRXNPFEDSA-N 2 2 339.439 3.349 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000677184022 549224656 /nfs/dbraw/zinc/22/46/56/549224656.db2.gz WTVWAWCNFGAGSM-MRXNPFEDSA-N 2 2 339.439 3.349 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235607 549436382 /nfs/dbraw/zinc/43/63/82/549436382.db2.gz LOJXYRUVKIEHDV-INIZCTEOSA-N 2 2 328.435 3.460 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235607 549436385 /nfs/dbraw/zinc/43/63/85/549436385.db2.gz LOJXYRUVKIEHDV-INIZCTEOSA-N 2 2 328.435 3.460 20 0 EGADLP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000678248839 549442822 /nfs/dbraw/zinc/44/28/22/549442822.db2.gz WGTZMCGCGPAZCX-UHFFFAOYSA-N 2 2 346.906 3.398 20 0 EGADLP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000678248839 549442826 /nfs/dbraw/zinc/44/28/26/549442826.db2.gz WGTZMCGCGPAZCX-UHFFFAOYSA-N 2 2 346.906 3.398 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000679364620 549696903 /nfs/dbraw/zinc/69/69/03/549696903.db2.gz HYCNMIDUZLDITI-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000679364620 549696907 /nfs/dbraw/zinc/69/69/07/549696907.db2.gz HYCNMIDUZLDITI-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000679364620 549696910 /nfs/dbraw/zinc/69/69/10/549696910.db2.gz HYCNMIDUZLDITI-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000679364620 549696913 /nfs/dbraw/zinc/69/69/13/549696913.db2.gz HYCNMIDUZLDITI-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364578 549697198 /nfs/dbraw/zinc/69/71/98/549697198.db2.gz HLXCXTKPBDPUBV-APWZRJJASA-N 2 2 344.890 3.111 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364578 549697200 /nfs/dbraw/zinc/69/72/00/549697200.db2.gz HLXCXTKPBDPUBV-APWZRJJASA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364578 549697203 /nfs/dbraw/zinc/69/72/03/549697203.db2.gz HLXCXTKPBDPUBV-APWZRJJASA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364578 549697206 /nfs/dbraw/zinc/69/72/06/549697206.db2.gz HLXCXTKPBDPUBV-APWZRJJASA-N 2 2 344.890 3.111 20 0 EGADLP CCOc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000679953698 549795991 /nfs/dbraw/zinc/79/59/91/549795991.db2.gz WRCPGJZGAYDSAS-UHFFFAOYSA-N 2 2 328.460 3.369 20 0 EGADLP CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000682042832 550066092 /nfs/dbraw/zinc/06/60/92/550066092.db2.gz VQNJGHBLUVNWGR-INIZCTEOSA-N 2 2 339.361 3.416 20 0 EGADLP CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000682042832 550066094 /nfs/dbraw/zinc/06/60/94/550066094.db2.gz VQNJGHBLUVNWGR-INIZCTEOSA-N 2 2 339.361 3.416 20 0 EGADLP Cc1ccnc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000683010392 550178289 /nfs/dbraw/zinc/17/82/89/550178289.db2.gz ACQJKUZVZWSEPG-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1ccnc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000683010392 550178291 /nfs/dbraw/zinc/17/82/91/550178291.db2.gz ACQJKUZVZWSEPG-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000684112108 550292531 /nfs/dbraw/zinc/29/25/31/550292531.db2.gz JETLGDMWWUITME-AQNXPRMDSA-N 2 2 340.515 3.209 20 0 EGADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000684953338 550387896 /nfs/dbraw/zinc/38/78/96/550387896.db2.gz DETREDGSPOHRPE-FQEVSTJZSA-N 2 2 337.467 3.081 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000685301596 550408105 /nfs/dbraw/zinc/40/81/05/550408105.db2.gz ILYSKZZSYYXVTI-SFHVURJKSA-N 2 2 349.438 3.032 20 0 EGADLP CC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000730080037 574921352 /nfs/dbraw/zinc/92/13/52/574921352.db2.gz FTAPTDVTMBCMDU-MRXNPFEDSA-N 2 2 330.394 3.155 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000730080037 574921353 /nfs/dbraw/zinc/92/13/53/574921353.db2.gz FTAPTDVTMBCMDU-MRXNPFEDSA-N 2 2 330.394 3.155 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731675332 575196727 /nfs/dbraw/zinc/19/67/27/575196727.db2.gz QGZOBTHONJFQRM-LJQANCHMSA-N 2 2 346.515 3.237 20 0 EGADLP CCn1ccnc1CNc1[nH+]c2ccccc2n1CC[NH+](CC)CC ZINC000678997381 576172347 /nfs/dbraw/zinc/17/23/47/576172347.db2.gz CNTFRLZCVSGINO-UHFFFAOYSA-N 2 2 340.475 3.207 20 0 EGADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000743265543 576804759 /nfs/dbraw/zinc/80/47/59/576804759.db2.gz YXZQTYFLTRBEEU-IBGZPJMESA-N 2 2 345.874 3.023 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056494823 1291826131 /nfs/dbraw/zinc/82/61/31/1291826131.db2.gz YDAPGBMFPWTGOG-UHFFFAOYSA-N 2 2 335.448 3.170 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003058 1291957194 /nfs/dbraw/zinc/95/71/94/1291957194.db2.gz CXLSFAZJDQNXAU-UHFFFAOYSA-N 2 2 343.862 3.270 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000063548987 1292015540 /nfs/dbraw/zinc/01/55/40/1292015540.db2.gz GFPOCULALFVJNO-UHFFFAOYSA-N 2 2 347.825 3.305 20 0 EGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)cc3F)cc2)CC1 ZINC000069785270 1292252562 /nfs/dbraw/zinc/25/25/62/1292252562.db2.gz APQSQAZHCHQFNL-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3F)cc2)CC1 ZINC000069785270 1292252565 /nfs/dbraw/zinc/25/25/65/1292252565.db2.gz APQSQAZHCHQFNL-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP CC(C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685371 1292355555 /nfs/dbraw/zinc/35/55/55/1292355555.db2.gz MHGFOIYNVMEQOX-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP CC(C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685371 1292355566 /nfs/dbraw/zinc/35/55/66/1292355566.db2.gz MHGFOIYNVMEQOX-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000075801849 1292412361 /nfs/dbraw/zinc/41/23/61/1292412361.db2.gz LGGXNHKPEAIPBH-UHFFFAOYSA-N 2 2 332.879 3.490 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1C ZINC000827970226 1292412831 /nfs/dbraw/zinc/41/28/31/1292412831.db2.gz ALQCMHXVCPPEEH-SFHVURJKSA-N 2 2 341.455 3.049 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C12CCC2 ZINC000834601787 1293120960 /nfs/dbraw/zinc/12/09/60/1293120960.db2.gz AFWFLOQRSHDXIC-WOJBJXKFSA-N 2 2 343.515 3.269 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114772282 1293178353 /nfs/dbraw/zinc/17/83/53/1293178353.db2.gz UDYNWIIJCHRQQB-HXUWFJFHSA-N 2 2 347.466 3.226 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114772282 1293178356 /nfs/dbraw/zinc/17/83/56/1293178356.db2.gz UDYNWIIJCHRQQB-HXUWFJFHSA-N 2 2 347.466 3.226 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCOCC1 ZINC000122361973 1293409927 /nfs/dbraw/zinc/40/99/27/1293409927.db2.gz XKDXGTIBKJPQJS-MRXNPFEDSA-N 2 2 331.504 3.126 20 0 EGADLP CC(C)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000131239858 1293684000 /nfs/dbraw/zinc/68/40/00/1293684000.db2.gz QRAQNKBISCRAKE-UHFFFAOYSA-N 2 2 345.512 3.389 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000156959660 1294165023 /nfs/dbraw/zinc/16/50/23/1294165023.db2.gz INMCDRFKHXMWOJ-UHFFFAOYSA-N 2 2 347.286 3.202 20 0 EGADLP C[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163543907 1294335064 /nfs/dbraw/zinc/33/50/64/1294335064.db2.gz NTHQXLISNGOMPG-JKSUJKDBSA-N 2 2 340.471 3.075 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)ccc1OC ZINC000182217919 1295027709 /nfs/dbraw/zinc/02/77/09/1295027709.db2.gz MWJLTBSDSRGLKZ-MRXNPFEDSA-N 3 2 330.476 3.084 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C[NH+]1CCCCC1 ZINC000182611351 1295063009 /nfs/dbraw/zinc/06/30/09/1295063009.db2.gz BLVDGAUGRHJIFT-YLJYHZDGSA-N 3 2 345.531 3.426 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1C[NH+]1CCCCC1 ZINC000182611351 1295063018 /nfs/dbraw/zinc/06/30/18/1295063018.db2.gz BLVDGAUGRHJIFT-YLJYHZDGSA-N 3 2 345.531 3.426 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000185404338 1295261882 /nfs/dbraw/zinc/26/18/82/1295261882.db2.gz MAONPHIJOUNKEB-NWDGAFQWSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000185404338 1295261889 /nfs/dbraw/zinc/26/18/89/1295261889.db2.gz MAONPHIJOUNKEB-NWDGAFQWSA-N 2 2 327.266 3.147 20 0 EGADLP Brc1cncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000186607724 1295336817 /nfs/dbraw/zinc/33/68/17/1295336817.db2.gz AISIQKPUEWRVKU-UHFFFAOYSA-N 2 2 343.228 3.320 20 0 EGADLP C[C@@](O)(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000187889324 1295422630 /nfs/dbraw/zinc/42/26/30/1295422630.db2.gz PBNAXNXXUZNZMV-QGZVFWFLSA-N 2 2 344.421 3.291 20 0 EGADLP [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000870910523 1296137805 /nfs/dbraw/zinc/13/78/05/1296137805.db2.gz PLKAKCMDABBZKX-FZNQNYSPSA-N 2 2 336.439 3.058 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000236837876 1296206712 /nfs/dbraw/zinc/20/67/12/1296206712.db2.gz OMWKQYJOHNEDHM-YESZJQIVSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000236837876 1296206723 /nfs/dbraw/zinc/20/67/23/1296206723.db2.gz OMWKQYJOHNEDHM-YESZJQIVSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccccc21 ZINC000237412116 1296240656 /nfs/dbraw/zinc/24/06/56/1296240656.db2.gz DNLKQGOOHSBMNW-KRWDZBQOSA-N 2 2 332.451 3.413 20 0 EGADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000301516097 1296789350 /nfs/dbraw/zinc/78/93/50/1296789350.db2.gz SFNZZAZDWAYJJO-IKGGRYGDSA-N 2 2 341.540 3.484 20 0 EGADLP C[C@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000305680852 1297023446 /nfs/dbraw/zinc/02/34/46/1297023446.db2.gz KQAPDCARDVDLIP-IBGZPJMESA-N 2 2 325.387 3.009 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CCC1 ZINC000310031293 1297082931 /nfs/dbraw/zinc/08/29/31/1297082931.db2.gz WIKCIVAQSXWTSP-HOTGVXAUSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)C[NH+](C)C ZINC000324022796 1297206498 /nfs/dbraw/zinc/20/64/98/1297206498.db2.gz QLMRQTBYJCGYKL-SNVBAGLBSA-N 2 2 338.345 3.177 20 0 EGADLP Clc1cnc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000873283201 1297408898 /nfs/dbraw/zinc/40/88/98/1297408898.db2.gz OITUAFJIEGQWPM-MLGOLLRUSA-N 2 2 335.860 3.142 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632350 1297507375 /nfs/dbraw/zinc/50/73/75/1297507375.db2.gz SIWUQWMZJGLVID-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632350 1297507384 /nfs/dbraw/zinc/50/73/84/1297507384.db2.gz SIWUQWMZJGLVID-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000378906873 1297527991 /nfs/dbraw/zinc/52/79/91/1297527991.db2.gz FAYLJGPMTIKCMW-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000378906873 1297527998 /nfs/dbraw/zinc/52/79/98/1297527998.db2.gz FAYLJGPMTIKCMW-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379636004 1297534269 /nfs/dbraw/zinc/53/42/69/1297534269.db2.gz WSCLVHYOWLPYNI-AEFFLSMTSA-N 2 2 325.456 3.238 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379636004 1297534273 /nfs/dbraw/zinc/53/42/73/1297534273.db2.gz WSCLVHYOWLPYNI-AEFFLSMTSA-N 2 2 325.456 3.238 20 0 EGADLP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880197 1298152974 /nfs/dbraw/zinc/15/29/74/1298152974.db2.gz VFTURMZAJSRFHK-CVEARBPZSA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880197 1298152977 /nfs/dbraw/zinc/15/29/77/1298152977.db2.gz VFTURMZAJSRFHK-CVEARBPZSA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880199 1298153555 /nfs/dbraw/zinc/15/35/55/1298153555.db2.gz VFTURMZAJSRFHK-HOTGVXAUSA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880199 1298153558 /nfs/dbraw/zinc/15/35/58/1298153558.db2.gz VFTURMZAJSRFHK-HOTGVXAUSA-N 2 2 341.540 3.246 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584117 1298242422 /nfs/dbraw/zinc/24/24/22/1298242422.db2.gz BZSRKWJNDCNGRR-IEBWSBKVSA-N 2 2 334.467 3.192 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584117 1298242434 /nfs/dbraw/zinc/24/24/34/1298242434.db2.gz BZSRKWJNDCNGRR-IEBWSBKVSA-N 2 2 334.467 3.192 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584118 1298244213 /nfs/dbraw/zinc/24/42/13/1298244213.db2.gz BZSRKWJNDCNGRR-MJGOQNOKSA-N 2 2 334.467 3.192 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584118 1298244218 /nfs/dbraw/zinc/24/42/18/1298244218.db2.gz BZSRKWJNDCNGRR-MJGOQNOKSA-N 2 2 334.467 3.192 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1Cl ZINC000708551675 1298244528 /nfs/dbraw/zinc/24/45/28/1298244528.db2.gz RFBFCNKDHFIWHM-WMLDXEAASA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1Cl ZINC000708551675 1298244532 /nfs/dbraw/zinc/24/45/32/1298244532.db2.gz RFBFCNKDHFIWHM-WMLDXEAASA-N 2 2 346.906 3.240 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1nc2ccccc2s1 ZINC000877047064 1299130917 /nfs/dbraw/zinc/13/09/17/1299130917.db2.gz UILJAOYFHABHIF-ZDUSSCGKSA-N 2 2 333.501 3.182 20 0 EGADLP Cc1ccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)c(N(C)C)[nH+]1 ZINC000750402840 1299392524 /nfs/dbraw/zinc/39/25/24/1299392524.db2.gz PHPKQKQWDAAVSU-UHFFFAOYSA-N 2 2 347.507 3.232 20 0 EGADLP Cc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c(N(C)C)[nH+]1 ZINC000750402840 1299392532 /nfs/dbraw/zinc/39/25/32/1299392532.db2.gz PHPKQKQWDAAVSU-UHFFFAOYSA-N 2 2 347.507 3.232 20 0 EGADLP Cc1cncnc1Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000881999093 1301779478 /nfs/dbraw/zinc/77/94/78/1301779478.db2.gz DGXAMZCRVFAZKB-UHFFFAOYSA-N 2 2 325.460 3.307 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000763619575 1301935250 /nfs/dbraw/zinc/93/52/50/1301935250.db2.gz MDCCKFBPMONPKZ-MRXNPFEDSA-N 2 2 348.491 3.345 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000763619575 1301935256 /nfs/dbraw/zinc/93/52/56/1301935256.db2.gz MDCCKFBPMONPKZ-MRXNPFEDSA-N 2 2 348.491 3.345 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([S@](C)=O)cc1 ZINC000765254174 1302229938 /nfs/dbraw/zinc/22/99/38/1302229938.db2.gz XKHVOMCQBRBRPD-KNUWZQJKSA-N 2 2 333.501 3.386 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCC2=O)cc1 ZINC000765258293 1302230674 /nfs/dbraw/zinc/23/06/74/1302230674.db2.gz KNPMSMQEQWIHQN-MRXNPFEDSA-N 2 2 326.444 3.141 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)c(F)c(F)c1 ZINC000765974518 1302361328 /nfs/dbraw/zinc/36/13/28/1302361328.db2.gz ICDGTMJWOLUADK-DOMZBBRYSA-N 2 2 342.405 3.398 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000766143069 1302400326 /nfs/dbraw/zinc/40/03/26/1302400326.db2.gz QJZZYIFODHQHHT-LJQANCHMSA-N 2 2 346.446 3.057 20 0 EGADLP C[N@H+](CCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000769710827 1303162976 /nfs/dbraw/zinc/16/29/76/1303162976.db2.gz QLZCMFVVIDJMBQ-UHFFFAOYSA-N 2 2 340.471 3.143 20 0 EGADLP C[N@@H+](CCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000769710827 1303162983 /nfs/dbraw/zinc/16/29/83/1303162983.db2.gz QLZCMFVVIDJMBQ-UHFFFAOYSA-N 2 2 340.471 3.143 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cn3)c2)CCO1 ZINC000885943190 1303289940 /nfs/dbraw/zinc/28/99/40/1303289940.db2.gz ZDHYBSYPTDTTNG-HNNXBMFYSA-N 2 2 345.874 3.246 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cn3)c2)CCO1 ZINC000885943190 1303289946 /nfs/dbraw/zinc/28/99/46/1303289946.db2.gz ZDHYBSYPTDTTNG-HNNXBMFYSA-N 2 2 345.874 3.246 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3)CC2)[nH+]c1C ZINC000886668460 1303547512 /nfs/dbraw/zinc/54/75/12/1303547512.db2.gz TWOGXKQIULKLIS-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)C3CCC(C)CC3)CC2)[nH+]c1C ZINC000886671907 1303551216 /nfs/dbraw/zinc/55/12/16/1303551216.db2.gz GAWPVTDDPAITOB-UHFFFAOYSA-N 2 2 346.519 3.243 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000772875514 1303588993 /nfs/dbraw/zinc/58/89/93/1303588993.db2.gz NLQWYBXARBQWTF-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000772875514 1303589001 /nfs/dbraw/zinc/58/90/01/1303589001.db2.gz NLQWYBXARBQWTF-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775377307 1303950065 /nfs/dbraw/zinc/95/00/65/1303950065.db2.gz WSDLSUVCCYVDRV-CBBWQLFWSA-N 2 2 325.547 3.267 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000777035415 1304237434 /nfs/dbraw/zinc/23/74/34/1304237434.db2.gz FDRBOKISYIMTLJ-UHFFFAOYSA-N 2 2 334.423 3.491 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cn1 ZINC000779402439 1304567435 /nfs/dbraw/zinc/56/74/35/1304567435.db2.gz BIROGQOYLAWCDD-HKUYNNGSSA-N 2 2 335.467 3.151 20 0 EGADLP FC(F)(F)Cc1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000891725583 1305147832 /nfs/dbraw/zinc/14/78/32/1305147832.db2.gz RUFYUDXJNNLRDB-SNVBAGLBSA-N 2 2 330.379 3.351 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C2CCC(C(C)(C)C)CC2)C1 ZINC000783975715 1305170956 /nfs/dbraw/zinc/17/09/56/1305170956.db2.gz GDKVHHPNILZGLD-GTPINHCMSA-N 2 2 346.519 3.230 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)C1 ZINC000783975715 1305170958 /nfs/dbraw/zinc/17/09/58/1305170958.db2.gz GDKVHHPNILZGLD-GTPINHCMSA-N 2 2 346.519 3.230 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)cc1F ZINC000892675680 1305500107 /nfs/dbraw/zinc/50/01/07/1305500107.db2.gz DOBSQBHAOOWWFI-UHFFFAOYSA-N 2 2 339.418 3.221 20 0 EGADLP C[C@H](C[NH2+][C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)[NH+](C)C ZINC000788593232 1305977244 /nfs/dbraw/zinc/97/72/44/1305977244.db2.gz GYQUTTRECZETGV-PVAVHDDUSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752168 1306010407 /nfs/dbraw/zinc/01/04/07/1306010407.db2.gz BVAFIKPRXVLWPF-HNAYVOBHSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752168 1306010422 /nfs/dbraw/zinc/01/04/22/1306010422.db2.gz BVAFIKPRXVLWPF-HNAYVOBHSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)C[NH+]1CCCC1 ZINC000790519859 1306343542 /nfs/dbraw/zinc/34/35/42/1306343542.db2.gz WTOABMFHLZXOHA-MRXNPFEDSA-N 2 2 346.906 3.406 20 0 EGADLP C[N@H+](CCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCCC1 ZINC000791128420 1308925594 /nfs/dbraw/zinc/92/55/94/1308925594.db2.gz OHHAGUPLPXCEKF-KRWDZBQOSA-N 2 2 334.508 3.069 20 0 EGADLP C[N@@H+](CCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CCCCC1 ZINC000791128420 1308925601 /nfs/dbraw/zinc/92/56/01/1308925601.db2.gz OHHAGUPLPXCEKF-KRWDZBQOSA-N 2 2 334.508 3.069 20 0 EGADLP CN(c1ccccc1C[NH+]1CC(C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000894892531 1309117640 /nfs/dbraw/zinc/11/76/40/1309117640.db2.gz ZBHZTLVZZVBEAI-UHFFFAOYSA-N 2 2 341.421 3.211 20 0 EGADLP COc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(OCc2cccnc2)c1 ZINC000895295042 1309273261 /nfs/dbraw/zinc/27/32/61/1309273261.db2.gz YXVKRMBVXJXJFR-MRXNPFEDSA-N 2 2 343.471 3.099 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC000895651880 1309447803 /nfs/dbraw/zinc/44/78/03/1309447803.db2.gz FOHBCVYTXYIMMQ-UHFFFAOYSA-N 2 2 332.488 3.080 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000796267797 1309948739 /nfs/dbraw/zinc/94/87/39/1309948739.db2.gz YZRCPFZQODHLBK-CHWSQXEVSA-N 2 2 339.270 3.358 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000796267797 1309948745 /nfs/dbraw/zinc/94/87/45/1309948745.db2.gz YZRCPFZQODHLBK-CHWSQXEVSA-N 2 2 339.270 3.358 20 0 EGADLP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)C2)c1 ZINC000897227718 1310231396 /nfs/dbraw/zinc/23/13/96/1310231396.db2.gz GBUBEOIXLPWSNE-ITXXBFQVSA-N 2 2 336.426 3.054 20 0 EGADLP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)C2)c1 ZINC000897227718 1310231398 /nfs/dbraw/zinc/23/13/98/1310231398.db2.gz GBUBEOIXLPWSNE-ITXXBFQVSA-N 2 2 336.426 3.054 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1(Cl)Cl ZINC000824771368 1320284269 /nfs/dbraw/zinc/28/42/69/1320284269.db2.gz BQPSXZONUHUKHT-HNNXBMFYSA-N 2 2 328.287 3.220 20 0 EGADLP Cc1cc(C)c(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)c[nH+]1 ZINC000857282252 1328525876 /nfs/dbraw/zinc/52/58/76/1328525876.db2.gz SGJATOIFEQKWBT-IBGZPJMESA-N 2 2 337.467 3.438 20 0 EGADLP Cc1cc(C)c(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c[nH+]1 ZINC000857282252 1328525878 /nfs/dbraw/zinc/52/58/78/1328525878.db2.gz SGJATOIFEQKWBT-IBGZPJMESA-N 2 2 337.467 3.438 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCc3ccccc3)C2)c(C)[nH+]1 ZINC001019171833 1317086831 /nfs/dbraw/zinc/08/68/31/1317086831.db2.gz RVQTWNMLWPZWRW-IBGZPJMESA-N 2 2 337.467 3.054 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1cccc2ccccc21 ZINC001019437224 1317243793 /nfs/dbraw/zinc/24/37/93/1317243793.db2.gz IOOYFUMPOIDMNQ-RDJZCZTQSA-N 2 2 348.450 3.057 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900327305 1317272804 /nfs/dbraw/zinc/27/28/04/1317272804.db2.gz PEWYKOUZJPRLSZ-CVEARBPZSA-N 2 2 348.516 3.084 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900327305 1317272811 /nfs/dbraw/zinc/27/28/11/1317272811.db2.gz PEWYKOUZJPRLSZ-CVEARBPZSA-N 2 2 348.516 3.084 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001019656591 1317319014 /nfs/dbraw/zinc/31/90/14/1317319014.db2.gz OGOOUFDZPRAWKT-DLBZAZTESA-N 2 2 340.471 3.029 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957541973 1317438428 /nfs/dbraw/zinc/43/84/28/1317438428.db2.gz NMJGCALLMVLGGA-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cn(C)nn1 ZINC000902782257 1317615457 /nfs/dbraw/zinc/61/54/57/1317615457.db2.gz BMMKBAKGKPIPLD-MRXNPFEDSA-N 2 2 327.476 3.042 20 0 EGADLP CCO[C@H]1CCC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000902916200 1317630422 /nfs/dbraw/zinc/63/04/22/1317630422.db2.gz KLENYJISKROSGO-APWZRJJASA-N 2 2 346.519 3.372 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)ccc1OC ZINC000903370947 1317691454 /nfs/dbraw/zinc/69/14/54/1317691454.db2.gz LXAXYOWZLAJYDX-SJLPKXTDSA-N 2 2 336.451 3.128 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903814641 1317737111 /nfs/dbraw/zinc/73/71/11/1317737111.db2.gz OHNKRBXJRSGCRZ-GOSISDBHSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC000903814641 1317737115 /nfs/dbraw/zinc/73/71/15/1317737115.db2.gz OHNKRBXJRSGCRZ-GOSISDBHSA-N 2 2 329.488 3.225 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921112 1317749503 /nfs/dbraw/zinc/74/95/03/1317749503.db2.gz NAUHTVKNFGKBPK-YOEHRIQHSA-N 3 2 325.447 3.133 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921112 1317749508 /nfs/dbraw/zinc/74/95/08/1317749508.db2.gz NAUHTVKNFGKBPK-YOEHRIQHSA-N 3 2 325.447 3.133 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858246215 1328721952 /nfs/dbraw/zinc/72/19/52/1328721952.db2.gz XXDDFWMIKQLIKQ-OAHLLOKOSA-N 2 2 347.894 3.051 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000858246215 1328721956 /nfs/dbraw/zinc/72/19/56/1328721956.db2.gz XXDDFWMIKQLIKQ-OAHLLOKOSA-N 2 2 347.894 3.051 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000904317901 1317830138 /nfs/dbraw/zinc/83/01/38/1317830138.db2.gz JPEBCIQODFHOBW-HOTGVXAUSA-N 2 2 325.541 3.014 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000904317901 1317830146 /nfs/dbraw/zinc/83/01/46/1317830146.db2.gz JPEBCIQODFHOBW-HOTGVXAUSA-N 2 2 325.541 3.014 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766514 1317896088 /nfs/dbraw/zinc/89/60/88/1317896088.db2.gz ZOOZCQXPRUUORV-ZBFHGGJFSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766514 1317896098 /nfs/dbraw/zinc/89/60/98/1317896098.db2.gz ZOOZCQXPRUUORV-ZBFHGGJFSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766514 1317896104 /nfs/dbraw/zinc/89/61/04/1317896104.db2.gz ZOOZCQXPRUUORV-ZBFHGGJFSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766514 1317896109 /nfs/dbraw/zinc/89/61/09/1317896109.db2.gz ZOOZCQXPRUUORV-ZBFHGGJFSA-N 2 2 348.491 3.201 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C(=O)Nc2nc(C[NH+](CC)CC)cs2)C1 ZINC000906376624 1318089091 /nfs/dbraw/zinc/08/90/91/1318089091.db2.gz XREZRUHSKZKZGI-AWEZNQCLSA-N 2 2 338.521 3.045 20 0 EGADLP CCC[N@H+]1CCC[C@H](C(=O)Nc2nc(C[NH+](CC)CC)cs2)C1 ZINC000906376624 1318089100 /nfs/dbraw/zinc/08/91/00/1318089100.db2.gz XREZRUHSKZKZGI-AWEZNQCLSA-N 2 2 338.521 3.045 20 0 EGADLP CC[NH+](CC)CCOc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000907091900 1318184390 /nfs/dbraw/zinc/18/43/90/1318184390.db2.gz MMDSPVXKKLJVGM-INIZCTEOSA-N 2 2 344.459 3.194 20 0 EGADLP CC[NH+](CC)CCOc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000907091901 1318184540 /nfs/dbraw/zinc/18/45/40/1318184540.db2.gz MMDSPVXKKLJVGM-MRXNPFEDSA-N 2 2 344.459 3.194 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000812825467 1318465042 /nfs/dbraw/zinc/46/50/42/1318465042.db2.gz UJRPMWNWVVWUGV-HNNXBMFYSA-N 2 2 333.505 3.013 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960707654 1318809535 /nfs/dbraw/zinc/80/95/35/1318809535.db2.gz HCFTZXSZFZGHQR-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960707654 1318809544 /nfs/dbraw/zinc/80/95/44/1318809544.db2.gz HCFTZXSZFZGHQR-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCC2)c(C)[nH+]1 ZINC000960764240 1318861958 /nfs/dbraw/zinc/86/19/58/1318861958.db2.gz RPWPVISCDZYDBL-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)c(C)[nH+]1 ZINC000960764240 1318861968 /nfs/dbraw/zinc/86/19/68/1318861968.db2.gz RPWPVISCDZYDBL-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001022286995 1318877524 /nfs/dbraw/zinc/87/75/24/1318877524.db2.gz ZSGRJZSBYGYUDK-JCGIZDLHSA-N 2 2 348.450 3.483 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144279 1318912184 /nfs/dbraw/zinc/91/21/84/1318912184.db2.gz XBZQLGUOIQJRKU-UQTNFYOXSA-N 2 2 330.516 3.190 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144279 1318912196 /nfs/dbraw/zinc/91/21/96/1318912196.db2.gz XBZQLGUOIQJRKU-UQTNFYOXSA-N 2 2 330.516 3.190 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144279 1318912206 /nfs/dbraw/zinc/91/22/06/1318912206.db2.gz XBZQLGUOIQJRKU-UQTNFYOXSA-N 2 2 330.516 3.190 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144279 1318912212 /nfs/dbraw/zinc/91/22/12/1318912212.db2.gz XBZQLGUOIQJRKU-UQTNFYOXSA-N 2 2 330.516 3.190 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC001022462415 1318951049 /nfs/dbraw/zinc/95/10/49/1318951049.db2.gz QDXJHKFONYJNTL-HDICACEKSA-N 2 2 341.430 3.197 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905025 1319046028 /nfs/dbraw/zinc/04/60/28/1319046028.db2.gz UUJNNUMVEAMIHE-FUHWJXTLSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905025 1319046040 /nfs/dbraw/zinc/04/60/40/1319046040.db2.gz UUJNNUMVEAMIHE-FUHWJXTLSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910034 1319055518 /nfs/dbraw/zinc/05/55/18/1319055518.db2.gz IVOXGTCTCJFHPY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910034 1319055523 /nfs/dbraw/zinc/05/55/23/1319055523.db2.gz IVOXGTCTCJFHPY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910034 1319055529 /nfs/dbraw/zinc/05/55/29/1319055529.db2.gz IVOXGTCTCJFHPY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910034 1319055535 /nfs/dbraw/zinc/05/55/35/1319055535.db2.gz IVOXGTCTCJFHPY-VQIMIIECSA-N 2 2 344.503 3.012 20 0 EGADLP CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259939 1319408533 /nfs/dbraw/zinc/40/85/33/1319408533.db2.gz HMFNGYFPAGOFQQ-IRXDYDNUSA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259939 1319408536 /nfs/dbraw/zinc/40/85/36/1319408536.db2.gz HMFNGYFPAGOFQQ-IRXDYDNUSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000817902142 1319455640 /nfs/dbraw/zinc/45/56/40/1319455640.db2.gz JGXQPASUYIRVIN-DQLDELGASA-N 2 2 340.467 3.029 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2cnc(C)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817915920 1319460312 /nfs/dbraw/zinc/46/03/12/1319460312.db2.gz RMUFJJOBBQAVLO-ZWKOTPCHSA-N 2 2 331.485 3.086 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817966480 1319479187 /nfs/dbraw/zinc/47/91/87/1319479187.db2.gz OQBTYBDPGBRTPQ-HZMBPMFUSA-N 2 2 330.245 3.024 20 0 EGADLP [NH3+]C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc2ccccc2c1 ZINC000817970890 1319481519 /nfs/dbraw/zinc/48/15/19/1319481519.db2.gz GUUHDAMFYZYCBO-IBGZPJMESA-N 2 2 326.440 3.115 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)ncc1F ZINC000817982932 1319485251 /nfs/dbraw/zinc/48/52/51/1319485251.db2.gz WKMQDONOAMGTFB-ZANVPECISA-N 2 2 330.245 3.151 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961365420 1319521072 /nfs/dbraw/zinc/52/10/72/1319521072.db2.gz CWLQRWKYVCETMZ-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961365420 1319521080 /nfs/dbraw/zinc/52/10/80/1319521080.db2.gz CWLQRWKYVCETMZ-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961365420 1319521090 /nfs/dbraw/zinc/52/10/90/1319521090.db2.gz CWLQRWKYVCETMZ-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961365420 1319521098 /nfs/dbraw/zinc/52/10/98/1319521098.db2.gz CWLQRWKYVCETMZ-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000819078650 1319629817 /nfs/dbraw/zinc/62/98/17/1319629817.db2.gz KIRCKPLUOUNKED-HZPDHXFCSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@]1(C[NH2+]Cc2cc(F)ncc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000824332363 1320249108 /nfs/dbraw/zinc/24/91/08/1320249108.db2.gz IWQQLENYAJRQKL-LJQANCHMSA-N 2 2 331.410 3.362 20 0 EGADLP C[C@]1(C[NH2+]Cc2cc(F)ncc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332363 1320249111 /nfs/dbraw/zinc/24/91/11/1320249111.db2.gz IWQQLENYAJRQKL-LJQANCHMSA-N 2 2 331.410 3.362 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033145 1321204003 /nfs/dbraw/zinc/20/40/03/1321204003.db2.gz NGXSLZZZOADYGV-KRWDZBQOSA-N 2 2 346.906 3.291 20 0 EGADLP CC(C)[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[C@@H](C)[NH3+] ZINC000841823821 1321319722 /nfs/dbraw/zinc/31/97/22/1321319722.db2.gz HGBCBLQJRVRURO-CJNGLKHVSA-N 2 2 325.416 3.068 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000841866217 1321324781 /nfs/dbraw/zinc/32/47/81/1321324781.db2.gz KDTAVGLOQODULR-UHFFFAOYSA-N 2 2 327.476 3.046 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474537 1321393384 /nfs/dbraw/zinc/39/33/84/1321393384.db2.gz VCXYQCWYWGPKDW-QUCCMNQESA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474537 1321393388 /nfs/dbraw/zinc/39/33/88/1321393388.db2.gz VCXYQCWYWGPKDW-QUCCMNQESA-N 2 2 337.467 3.242 20 0 EGADLP Clc1ncc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000842668506 1321415163 /nfs/dbraw/zinc/41/51/63/1321415163.db2.gz LKIXCICCBOGJTF-SNVBAGLBSA-N 2 2 344.684 3.071 20 0 EGADLP Clc1ncc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000842668506 1321415166 /nfs/dbraw/zinc/41/51/66/1321415166.db2.gz LKIXCICCBOGJTF-SNVBAGLBSA-N 2 2 344.684 3.071 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2cc1C(C)C ZINC000843386556 1321509823 /nfs/dbraw/zinc/50/98/23/1321509823.db2.gz KDYKKCFIEKFKSD-BEFAXECRSA-N 2 2 340.467 3.409 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2cc1C(C)C ZINC000843386556 1321509830 /nfs/dbraw/zinc/50/98/30/1321509830.db2.gz KDYKKCFIEKFKSD-BEFAXECRSA-N 2 2 340.467 3.409 20 0 EGADLP C[C@H](CC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583113 1321720283 /nfs/dbraw/zinc/72/02/83/1321720283.db2.gz SDMCAUUIOJVVTG-LMMKCTJWSA-N 2 2 341.455 3.431 20 0 EGADLP C[C@H](CC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583113 1321720287 /nfs/dbraw/zinc/72/02/87/1321720287.db2.gz SDMCAUUIOJVVTG-LMMKCTJWSA-N 2 2 341.455 3.431 20 0 EGADLP c1cn(CCCC2CC[NH+](Cc3ccc4nonc4c3)CC2)c[nH+]1 ZINC000846850207 1321816401 /nfs/dbraw/zinc/81/64/01/1321816401.db2.gz KDVMVPDBEMWSME-UHFFFAOYSA-N 2 2 325.416 3.112 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])Nc1cccc(OC)c1)c1ccco1 ZINC000849051361 1322058936 /nfs/dbraw/zinc/05/89/36/1322058936.db2.gz IASJLWMKPQTBLB-CJNGLKHVSA-N 2 2 330.432 3.354 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849053927 1322059921 /nfs/dbraw/zinc/05/99/21/1322059921.db2.gz ZXCDBTVOMIESOM-ZACQAIPSSA-N 2 2 340.556 3.203 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849053927 1322059929 /nfs/dbraw/zinc/05/99/29/1322059929.db2.gz ZXCDBTVOMIESOM-ZACQAIPSSA-N 2 2 340.556 3.203 20 0 EGADLP Cc1[nH]c(CNc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)[nH+]c1C ZINC000850211108 1322206409 /nfs/dbraw/zinc/20/64/09/1322206409.db2.gz GOFLFUCRVZYPAU-UHFFFAOYSA-N 2 2 345.466 3.308 20 0 EGADLP CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000921549966 1322349671 /nfs/dbraw/zinc/34/96/71/1322349671.db2.gz GAUHNEBDJNAIOE-RTBURBONSA-N 2 2 334.529 3.283 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000924714101 1323128093 /nfs/dbraw/zinc/12/80/93/1323128093.db2.gz HXFSKGZBUTYMKH-NHCUHLMSSA-N 2 2 345.506 3.397 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000924714101 1323128097 /nfs/dbraw/zinc/12/80/97/1323128097.db2.gz HXFSKGZBUTYMKH-NHCUHLMSSA-N 2 2 345.506 3.397 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000924728497 1323135902 /nfs/dbraw/zinc/13/59/02/1323135902.db2.gz GQQBZFYGTMYMFX-CRAIPNDOSA-N 2 2 338.459 3.229 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001024182172 1323193498 /nfs/dbraw/zinc/19/34/98/1323193498.db2.gz NPPOQAPRXIPLKY-IEBWSBKVSA-N 2 2 344.503 3.163 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245861 1324045198 /nfs/dbraw/zinc/04/51/98/1324045198.db2.gz SFKSYWMKCFPSEU-RBUKOAKNSA-N 2 2 340.471 3.432 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245861 1324045201 /nfs/dbraw/zinc/04/52/01/1324045201.db2.gz SFKSYWMKCFPSEU-RBUKOAKNSA-N 2 2 340.471 3.432 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582317 1324423155 /nfs/dbraw/zinc/42/31/55/1324423155.db2.gz RFPKYZAILDXYQF-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582317 1324423160 /nfs/dbraw/zinc/42/31/60/1324423160.db2.gz RFPKYZAILDXYQF-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000931723250 1329171628 /nfs/dbraw/zinc/17/16/28/1329171628.db2.gz QEBJPLRRBDOCIU-ZWKOTPCHSA-N 2 2 337.467 3.337 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000931723250 1329171634 /nfs/dbraw/zinc/17/16/34/1329171634.db2.gz QEBJPLRRBDOCIU-ZWKOTPCHSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000931723250 1329171638 /nfs/dbraw/zinc/17/16/38/1329171638.db2.gz QEBJPLRRBDOCIU-ZWKOTPCHSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000931723250 1329171641 /nfs/dbraw/zinc/17/16/41/1329171641.db2.gz QEBJPLRRBDOCIU-ZWKOTPCHSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cnnn1-c1ccccc1 ZINC000925308612 1325119652 /nfs/dbraw/zinc/11/96/52/1325119652.db2.gz SAZCHBSQTAVCPP-OAHLLOKOSA-N 2 2 327.476 3.181 20 0 EGADLP COc1ccc(CC(N)=[NH+]OC[C@@H]2CCCC[N@@H+]2C(C)C)cc1OC ZINC000853658712 1325142196 /nfs/dbraw/zinc/14/21/96/1325142196.db2.gz SPMHDKRZEZDPNX-INIZCTEOSA-N 2 2 349.475 3.008 20 0 EGADLP COc1ccc(CC(N)=[NH+]OC[C@@H]2CCCC[N@H+]2C(C)C)cc1OC ZINC000853658712 1325142200 /nfs/dbraw/zinc/14/22/00/1325142200.db2.gz SPMHDKRZEZDPNX-INIZCTEOSA-N 2 2 349.475 3.008 20 0 EGADLP C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925419807 1325145672 /nfs/dbraw/zinc/14/56/72/1325145672.db2.gz DFOPMZXCKKXEAX-UGSOOPFHSA-N 2 2 334.410 3.411 20 0 EGADLP Fc1ccc(CN2CCC([NH2+][C@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925482826 1325169563 /nfs/dbraw/zinc/16/95/63/1325169563.db2.gz YAGPFPIFNUDCQB-IBGZPJMESA-N 2 2 331.479 3.054 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387978 1325187836 /nfs/dbraw/zinc/18/78/36/1325187836.db2.gz XKSNCNFSVYKBAD-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387978 1325187840 /nfs/dbraw/zinc/18/78/40/1325187840.db2.gz XKSNCNFSVYKBAD-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)cn2)c1 ZINC000925545935 1325200976 /nfs/dbraw/zinc/20/09/76/1325200976.db2.gz HSQSJAALVOWWOO-DHHNYBAUSA-N 2 2 339.414 3.099 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325387 1325516337 /nfs/dbraw/zinc/51/63/37/1325516337.db2.gz LRQOYLRYKCIESO-WMZOPIPTSA-N 2 2 325.456 3.263 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325387 1325516343 /nfs/dbraw/zinc/51/63/43/1325516343.db2.gz LRQOYLRYKCIESO-WMZOPIPTSA-N 2 2 325.456 3.263 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436272 1327677734 /nfs/dbraw/zinc/67/77/34/1327677734.db2.gz TVACHJIBJWRAAP-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436272 1327677744 /nfs/dbraw/zinc/67/77/44/1327677744.db2.gz TVACHJIBJWRAAP-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436272 1327677756 /nfs/dbraw/zinc/67/77/56/1327677756.db2.gz TVACHJIBJWRAAP-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436272 1327677767 /nfs/dbraw/zinc/67/77/67/1327677767.db2.gz TVACHJIBJWRAAP-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001027500635 1327765671 /nfs/dbraw/zinc/76/56/71/1327765671.db2.gz IFHZCNSXGBMMNI-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001027500635 1327765679 /nfs/dbraw/zinc/76/56/79/1327765679.db2.gz IFHZCNSXGBMMNI-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC3)nn2C)CC1 ZINC000927100059 1327861580 /nfs/dbraw/zinc/86/15/80/1327861580.db2.gz SHKNUJNNDANFDL-FOIQADDNSA-N 2 2 330.520 3.430 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908383 1328467773 /nfs/dbraw/zinc/46/77/73/1328467773.db2.gz PFCSJLBHHMCREQ-MAUKXSAKSA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908383 1328467776 /nfs/dbraw/zinc/46/77/76/1328467776.db2.gz PFCSJLBHHMCREQ-MAUKXSAKSA-N 2 2 348.535 3.189 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)cc2F)CCCO1 ZINC000865544199 1329711682 /nfs/dbraw/zinc/71/16/82/1329711682.db2.gz LROXEBYKPRGLQS-ZDUSSCGKSA-N 2 2 346.393 3.018 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)cc2F)CCCO1 ZINC000865544199 1329711684 /nfs/dbraw/zinc/71/16/84/1329711684.db2.gz LROXEBYKPRGLQS-ZDUSSCGKSA-N 2 2 346.393 3.018 20 0 EGADLP C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865748747 1329734533 /nfs/dbraw/zinc/73/45/33/1329734533.db2.gz ASLMGHGXFFSTMV-UMQFPBQRSA-N 2 2 347.547 3.044 20 0 EGADLP C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865748747 1329734534 /nfs/dbraw/zinc/73/45/34/1329734534.db2.gz ASLMGHGXFFSTMV-UMQFPBQRSA-N 2 2 347.547 3.044 20 0 EGADLP CCc1nc(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC000866017196 1329759201 /nfs/dbraw/zinc/75/92/01/1329759201.db2.gz JQYSPWJXZIUCIP-UHFFFAOYSA-N 2 2 336.483 3.331 20 0 EGADLP Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000933569135 1329902007 /nfs/dbraw/zinc/90/20/07/1329902007.db2.gz HODAKSJPTVSUMM-KRWDZBQOSA-N 2 2 337.427 3.018 20 0 EGADLP Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000933569135 1329902008 /nfs/dbraw/zinc/90/20/08/1329902008.db2.gz HODAKSJPTVSUMM-KRWDZBQOSA-N 2 2 337.427 3.018 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181651 1329952887 /nfs/dbraw/zinc/95/28/87/1329952887.db2.gz HIFQYEVNHWCUMG-CRAIPNDOSA-N 2 2 348.450 3.203 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181651 1329952888 /nfs/dbraw/zinc/95/28/88/1329952888.db2.gz HIFQYEVNHWCUMG-CRAIPNDOSA-N 2 2 348.450 3.203 20 0 EGADLP CCC[N@H+](CCc1cnccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186191 1329953465 /nfs/dbraw/zinc/95/34/65/1329953465.db2.gz QVSJYRUYRTXGFK-UHFFFAOYSA-N 2 2 338.499 3.396 20 0 EGADLP CCC[N@@H+](CCc1cnccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186191 1329953466 /nfs/dbraw/zinc/95/34/66/1329953466.db2.gz QVSJYRUYRTXGFK-UHFFFAOYSA-N 2 2 338.499 3.396 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CC4CCC4)[C@@H](C)C3)ccn12 ZINC000947315661 1333085793 /nfs/dbraw/zinc/08/57/93/1333085793.db2.gz XHGGCQXMVOHULH-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CC4CCC4)[C@@H](C)C3)ccn12 ZINC000947315661 1333085797 /nfs/dbraw/zinc/08/57/97/1333085797.db2.gz XHGGCQXMVOHULH-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CCCC1 ZINC000947450012 1333132692 /nfs/dbraw/zinc/13/26/92/1333132692.db2.gz MOMFGPRTNWWDNJ-RHSMWYFYSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CCCC1 ZINC000947450012 1333132693 /nfs/dbraw/zinc/13/26/93/1333132693.db2.gz MOMFGPRTNWWDNJ-RHSMWYFYSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCC(C)(C)C ZINC000947540388 1333164578 /nfs/dbraw/zinc/16/45/78/1333164578.db2.gz SNYZIQIXGRMMBK-CVEARBPZSA-N 2 2 342.487 3.353 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCC(C)(C)C ZINC000947540388 1333164580 /nfs/dbraw/zinc/16/45/80/1333164580.db2.gz SNYZIQIXGRMMBK-CVEARBPZSA-N 2 2 342.487 3.353 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766539 1333669083 /nfs/dbraw/zinc/66/90/83/1333669083.db2.gz KJFCUXQCYNNLPW-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766539 1333669086 /nfs/dbraw/zinc/66/90/86/1333669086.db2.gz KJFCUXQCYNNLPW-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948811957 1333692604 /nfs/dbraw/zinc/69/26/04/1333692604.db2.gz CNIMAAJFUZBKLZ-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933485 1333739855 /nfs/dbraw/zinc/73/98/55/1333739855.db2.gz YUBJFQLNGDGXSZ-FQEVSTJZSA-N 2 2 348.450 3.301 20 0 EGADLP CC(C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933485 1333739858 /nfs/dbraw/zinc/73/98/58/1333739858.db2.gz YUBJFQLNGDGXSZ-FQEVSTJZSA-N 2 2 348.450 3.301 20 0 EGADLP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444237 1334460635 /nfs/dbraw/zinc/46/06/35/1334460635.db2.gz KJHKHLQULFIOIG-UYAOXDASSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444237 1334460636 /nfs/dbraw/zinc/46/06/36/1334460636.db2.gz KJHKHLQULFIOIG-UYAOXDASSA-N 2 2 345.531 3.036 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205314926 1370718633 /nfs/dbraw/zinc/71/86/33/1370718633.db2.gz DQFKRBKVFMPVQE-BXUZGUMPSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205314926 1370718640 /nfs/dbraw/zinc/71/86/40/1370718640.db2.gz DQFKRBKVFMPVQE-BXUZGUMPSA-N 2 2 341.293 3.183 20 0 EGADLP CC(C)CC[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005587746 1336376437 /nfs/dbraw/zinc/37/64/37/1336376437.db2.gz JITHLVHJBKOVRH-UHFFFAOYSA-N 2 2 328.460 3.145 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001017252879 1338983260 /nfs/dbraw/zinc/98/32/60/1338983260.db2.gz QBDFSGCGNQUGST-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001017252879 1338983262 /nfs/dbraw/zinc/98/32/62/1338983262.db2.gz QBDFSGCGNQUGST-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632554 1340734811 /nfs/dbraw/zinc/73/48/11/1340734811.db2.gz MBZWDJGOSQBACS-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632554 1340734813 /nfs/dbraw/zinc/73/48/13/1340734813.db2.gz MBZWDJGOSQBACS-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC1C[NH+](CCC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001030527530 1341194253 /nfs/dbraw/zinc/19/42/53/1341194253.db2.gz MTOBNXPONPIXBF-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP CC1(C)CCC(C[NH+]2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001030527847 1341194314 /nfs/dbraw/zinc/19/43/14/1341194314.db2.gz XBKUQCFHAPUXRG-UHFFFAOYSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001031034825 1341267905 /nfs/dbraw/zinc/26/79/05/1341267905.db2.gz GCDPHZPRGOWPDL-IAGOWNOFSA-N 2 2 346.519 3.023 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031772265 1341399760 /nfs/dbraw/zinc/39/97/60/1341399760.db2.gz FWTHXJWZAAMMLA-FQEVSTJZSA-N 2 2 348.450 3.376 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032473926 1341517602 /nfs/dbraw/zinc/51/76/02/1341517602.db2.gz HYQJFXDAYGHAJJ-XDKFSHSGSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032473926 1341517603 /nfs/dbraw/zinc/51/76/03/1341517603.db2.gz HYQJFXDAYGHAJJ-XDKFSHSGSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032632802 1341565102 /nfs/dbraw/zinc/56/51/02/1341565102.db2.gz HYQJFXDAYGHAJJ-QCSYZSNVSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032632802 1341565103 /nfs/dbraw/zinc/56/51/03/1341565103.db2.gz HYQJFXDAYGHAJJ-QCSYZSNVSA-N 2 2 349.906 3.026 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033552877 1341868770 /nfs/dbraw/zinc/86/87/70/1341868770.db2.gz FMPRRMMVLWUXSO-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033552877 1341868772 /nfs/dbraw/zinc/86/87/72/1341868772.db2.gz FMPRRMMVLWUXSO-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033832254 1342032861 /nfs/dbraw/zinc/03/28/61/1342032861.db2.gz HYUBVRMYLOGBAY-SFHVURJKSA-N 2 2 340.471 3.145 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033832254 1342032864 /nfs/dbraw/zinc/03/28/64/1342032864.db2.gz HYUBVRMYLOGBAY-SFHVURJKSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034503559 1342561262 /nfs/dbraw/zinc/56/12/62/1342561262.db2.gz PEMGHKWHKJJGNQ-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034503559 1342561267 /nfs/dbraw/zinc/56/12/67/1342561267.db2.gz PEMGHKWHKJJGNQ-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001034546496 1342609296 /nfs/dbraw/zinc/60/92/96/1342609296.db2.gz FNTQZCSTVIYMRV-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001034546496 1342609300 /nfs/dbraw/zinc/60/93/00/1342609300.db2.gz FNTQZCSTVIYMRV-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549651 1342612334 /nfs/dbraw/zinc/61/23/34/1342612334.db2.gz MIEXJPPNTFQFJT-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549651 1342612342 /nfs/dbraw/zinc/61/23/42/1342612342.db2.gz MIEXJPPNTFQFJT-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001035064897 1342906686 /nfs/dbraw/zinc/90/66/86/1342906686.db2.gz XSPYWNWMFJTFSY-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(CC[N@H+](CC4CC4)C3)CC2)c(C)[nH+]1 ZINC001035207533 1343024394 /nfs/dbraw/zinc/02/43/94/1343024394.db2.gz UROOSJUWVSPXJV-UHFFFAOYSA-N 2 2 341.499 3.345 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(CC[N@@H+](CC4CC4)C3)CC2)c(C)[nH+]1 ZINC001035207533 1343024399 /nfs/dbraw/zinc/02/43/99/1343024399.db2.gz UROOSJUWVSPXJV-UHFFFAOYSA-N 2 2 341.499 3.345 20 0 EGADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036206220 1343362936 /nfs/dbraw/zinc/36/29/36/1343362936.db2.gz PRKBLWWSZOCDQO-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001036416676 1343474008 /nfs/dbraw/zinc/47/40/08/1343474008.db2.gz PXBKSMKWXILTJG-HOCLYGCPSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001036426296 1343479708 /nfs/dbraw/zinc/47/97/08/1343479708.db2.gz OLNMAJYWIGZUPS-MAUKXSAKSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001036600446 1343570945 /nfs/dbraw/zinc/57/09/45/1343570945.db2.gz AHRSDZURBMNTIR-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751174 1343673627 /nfs/dbraw/zinc/67/36/27/1343673627.db2.gz YYWARPBZMCHVRS-KXBFYZLASA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751174 1343673629 /nfs/dbraw/zinc/67/36/29/1343673629.db2.gz YYWARPBZMCHVRS-KXBFYZLASA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CC(C)C ZINC001037886267 1344161310 /nfs/dbraw/zinc/16/13/10/1344161310.db2.gz XHSGSFWCBUNKAK-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037944696 1344194647 /nfs/dbraw/zinc/19/46/47/1344194647.db2.gz WNBFMRJHHIQMDT-ROUUACIJSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037996930 1344226693 /nfs/dbraw/zinc/22/66/93/1344226693.db2.gz NSBWIRNCVHJVLE-RBUKOAKNSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253504 1344984863 /nfs/dbraw/zinc/98/48/63/1344984863.db2.gz IGROQXBGMPRBET-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253504 1344984865 /nfs/dbraw/zinc/98/48/65/1344984865.db2.gz IGROQXBGMPRBET-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235472 1345388622 /nfs/dbraw/zinc/38/86/22/1345388622.db2.gz CDZXQYYRSJCABL-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235472 1345388627 /nfs/dbraw/zinc/38/86/27/1345388627.db2.gz CDZXQYYRSJCABL-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235472 1345388634 /nfs/dbraw/zinc/38/86/34/1345388634.db2.gz CDZXQYYRSJCABL-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235472 1345388638 /nfs/dbraw/zinc/38/86/38/1345388638.db2.gz CDZXQYYRSJCABL-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CCC(C)(C)C)C1 ZINC001042822512 1346119322 /nfs/dbraw/zinc/11/93/22/1346119322.db2.gz YIIFHXRCWJXUIU-UHFFFAOYSA-N 2 2 337.533 3.002 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646894 1346391965 /nfs/dbraw/zinc/39/19/65/1346391965.db2.gz FVJKBPIGFFKFPP-YOEHRIQHSA-N 2 2 340.471 3.336 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3(C)CC[NH+](CCC(C)C)CC3)ccn12 ZINC001045437782 1346593448 /nfs/dbraw/zinc/59/34/48/1346593448.db2.gz BHFDMTAQHBJXHV-UHFFFAOYSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CCC2CCCC2)C1 ZINC001046415099 1346967569 /nfs/dbraw/zinc/96/75/69/1346967569.db2.gz MCZOFELLCIKSOY-FQEVSTJZSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CCC2CCCC2)C1 ZINC001046415099 1346967572 /nfs/dbraw/zinc/96/75/72/1346967572.db2.gz MCZOFELLCIKSOY-FQEVSTJZSA-N 2 2 340.471 3.337 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419967 1346969910 /nfs/dbraw/zinc/96/99/10/1346969910.db2.gz BKQVFIYGXWMBJN-IBGZPJMESA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419967 1346969912 /nfs/dbraw/zinc/96/99/12/1346969912.db2.gz BKQVFIYGXWMBJN-IBGZPJMESA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001047821318 1347381191 /nfs/dbraw/zinc/38/11/91/1347381191.db2.gz OXBUBDUQXJGWLS-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048896271 1347679630 /nfs/dbraw/zinc/67/96/30/1347679630.db2.gz XLRUAPMGNZJIEI-CALCHBBNSA-N 2 2 340.471 3.003 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C1 ZINC001048896271 1347679632 /nfs/dbraw/zinc/67/96/32/1347679632.db2.gz XLRUAPMGNZJIEI-CALCHBBNSA-N 2 2 340.471 3.003 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1 ZINC001050391941 1348248848 /nfs/dbraw/zinc/24/88/48/1348248848.db2.gz JXSUWNACLQFRLT-WGSAOQKQSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052498360 1348559180 /nfs/dbraw/zinc/55/91/80/1348559180.db2.gz GXZOBXPRIBNZMJ-GDBMZVCRSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052498360 1348559182 /nfs/dbraw/zinc/55/91/82/1348559182.db2.gz GXZOBXPRIBNZMJ-GDBMZVCRSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700462 1348639834 /nfs/dbraw/zinc/63/98/34/1348639834.db2.gz MMXFPGYCBFPKER-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700462 1348639836 /nfs/dbraw/zinc/63/98/36/1348639836.db2.gz MMXFPGYCBFPKER-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824123 1348691225 /nfs/dbraw/zinc/69/12/25/1348691225.db2.gz UZMRJGRKIGAUFM-ZWKOTPCHSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824123 1348691226 /nfs/dbraw/zinc/69/12/26/1348691226.db2.gz UZMRJGRKIGAUFM-ZWKOTPCHSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052680 1348858136 /nfs/dbraw/zinc/85/81/36/1348858136.db2.gz WODHQMQJJDUDKH-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052680 1348858139 /nfs/dbraw/zinc/85/81/39/1348858139.db2.gz WODHQMQJJDUDKH-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052682 1348858507 /nfs/dbraw/zinc/85/85/07/1348858507.db2.gz WODHQMQJJDUDKH-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052682 1348858517 /nfs/dbraw/zinc/85/85/17/1348858517.db2.gz WODHQMQJJDUDKH-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092225 1348918279 /nfs/dbraw/zinc/91/82/79/1348918279.db2.gz FUXHPUUVHKGGPV-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092225 1348918288 /nfs/dbraw/zinc/91/82/88/1348918288.db2.gz FUXHPUUVHKGGPV-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104059 1348938571 /nfs/dbraw/zinc/93/85/71/1348938571.db2.gz MWGNAZVXWPSZJU-ZWKOTPCHSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104059 1348938572 /nfs/dbraw/zinc/93/85/72/1348938572.db2.gz MWGNAZVXWPSZJU-ZWKOTPCHSA-N 2 2 344.503 3.012 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105705 1348943036 /nfs/dbraw/zinc/94/30/36/1348943036.db2.gz QGFZWJJKNJNDAA-PKOBYXMFSA-N 2 2 346.519 3.154 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105705 1348943040 /nfs/dbraw/zinc/94/30/40/1348943040.db2.gz QGFZWJJKNJNDAA-PKOBYXMFSA-N 2 2 346.519 3.154 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112214 1348948617 /nfs/dbraw/zinc/94/86/17/1348948617.db2.gz AXYVRCBIAPDKGG-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112214 1348948620 /nfs/dbraw/zinc/94/86/20/1348948620.db2.gz AXYVRCBIAPDKGG-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1ccccc1C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001054798117 1349465268 /nfs/dbraw/zinc/46/52/68/1349465268.db2.gz QARJJOAHTKARST-QRWLVFNGSA-N 2 2 348.450 3.122 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H](C)C2)c(C)[nH+]1 ZINC001054922288 1349514340 /nfs/dbraw/zinc/51/43/40/1349514340.db2.gz LIODEVKNODROOE-KSSFIOAISA-N 2 2 343.515 3.493 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)[nH]2)CC1 ZINC001232692309 1376504710 /nfs/dbraw/zinc/50/47/10/1376504710.db2.gz UGMAAXOIERZJFF-UHFFFAOYSA-N 2 2 328.298 3.474 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)[nH]2)CC1 ZINC001232692309 1376504718 /nfs/dbraw/zinc/50/47/18/1376504718.db2.gz UGMAAXOIERZJFF-UHFFFAOYSA-N 2 2 328.298 3.474 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](C)[N@H+](CCC(C)C)C3)ccn12 ZINC001071511128 1354736116 /nfs/dbraw/zinc/73/61/16/1354736116.db2.gz JOPAAVHAUVVIMB-CRAIPNDOSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](C)[N@@H+](CCC(C)C)C3)ccn12 ZINC001071511128 1354736124 /nfs/dbraw/zinc/73/61/24/1354736124.db2.gz JOPAAVHAUVVIMB-CRAIPNDOSA-N 2 2 342.487 3.272 20 0 EGADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609222 1354793985 /nfs/dbraw/zinc/79/39/85/1354793985.db2.gz HIRLOMYGHINXQK-ZBFHGGJFSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609222 1354793987 /nfs/dbraw/zinc/79/39/87/1354793987.db2.gz HIRLOMYGHINXQK-ZBFHGGJFSA-N 2 2 326.444 3.112 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001072323145 1355237398 /nfs/dbraw/zinc/23/73/98/1355237398.db2.gz TVWZCWXXPZAKHW-ACJLOTCBSA-N 2 2 329.488 3.105 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085231938 1358438683 /nfs/dbraw/zinc/43/86/83/1358438683.db2.gz BWBCKGNPGQEDRQ-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085231938 1358438687 /nfs/dbraw/zinc/43/86/87/1358438687.db2.gz BWBCKGNPGQEDRQ-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001085406228 1358492333 /nfs/dbraw/zinc/49/23/33/1358492333.db2.gz VPJSXUKWAUQKRG-QZTJIDSGSA-N 2 2 346.519 3.248 20 0 EGADLP O=C(NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086121215 1359002443 /nfs/dbraw/zinc/00/24/43/1359002443.db2.gz IEWNONQDQPKLBY-WOVMCDHWSA-N 2 2 338.455 3.161 20 0 EGADLP C[NH+]1CCC(c2ccc(NC(=O)CCc3ccc(N)[nH+]c3)cc2)CC1 ZINC001183935935 1387373487 /nfs/dbraw/zinc/37/34/87/1387373487.db2.gz LRWBQPAKAKEZLC-UHFFFAOYSA-N 2 2 338.455 3.044 20 0 EGADLP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086401400 1359087997 /nfs/dbraw/zinc/08/79/97/1359087997.db2.gz AKMJQKYWRZVGDQ-JCNLHEQBSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001323546176 1387384832 /nfs/dbraw/zinc/38/48/32/1387384832.db2.gz QIKYTNJDNDSWAQ-HNNXBMFYSA-N 2 2 344.528 3.136 20 0 EGADLP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001086932688 1359256216 /nfs/dbraw/zinc/25/62/16/1359256216.db2.gz RAMMFLDCMOLBQU-INIZCTEOSA-N 2 2 340.471 3.059 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087157932 1359309429 /nfs/dbraw/zinc/30/94/29/1359309429.db2.gz FGSWCAQOGATXKN-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCCC1CCCC1 ZINC001087810365 1359659711 /nfs/dbraw/zinc/65/97/11/1359659711.db2.gz QZJRXCXMEIVKES-PKOBYXMFSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCCC1CCCC1 ZINC001087810365 1359659712 /nfs/dbraw/zinc/65/97/12/1359659712.db2.gz QZJRXCXMEIVKES-PKOBYXMFSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184273198 1387421951 /nfs/dbraw/zinc/42/19/51/1387421951.db2.gz JPTFBAIFNHLABK-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001088405240 1359877594 /nfs/dbraw/zinc/87/75/94/1359877594.db2.gz RNSSKXGMSWCESR-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1)c1ccccc1 ZINC001088434096 1359902761 /nfs/dbraw/zinc/90/27/61/1359902761.db2.gz OZPQYVNJZSNUBU-IEBWSBKVSA-N 2 2 340.471 3.005 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)[C@@H]2C)c[nH+]1 ZINC001088656802 1360004089 /nfs/dbraw/zinc/00/40/89/1360004089.db2.gz GRNIQAAZUUKLMZ-AEFFLSMTSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)[C@@H]2C)c[nH+]1 ZINC001088656802 1360004093 /nfs/dbraw/zinc/00/40/93/1360004093.db2.gz GRNIQAAZUUKLMZ-AEFFLSMTSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663782 1360005609 /nfs/dbraw/zinc/00/56/09/1360005609.db2.gz VHZKFXVHPDXYHU-QAPCUYQASA-N 2 2 348.450 3.264 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663782 1360005613 /nfs/dbraw/zinc/00/56/13/1360005613.db2.gz VHZKFXVHPDXYHU-QAPCUYQASA-N 2 2 348.450 3.264 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CC(C)C)[C@H](C)C2)c(C)[nH+]1 ZINC001184853321 1387549880 /nfs/dbraw/zinc/54/98/80/1387549880.db2.gz ZWVRDLBJVMOJGU-CRAIPNDOSA-N 2 2 331.504 3.351 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905074 1387559996 /nfs/dbraw/zinc/55/99/96/1387559996.db2.gz SVBFTDSSKDSCAZ-WLMAVBAVSA-N 2 2 346.519 3.094 20 0 EGADLP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001098814211 1363479253 /nfs/dbraw/zinc/47/92/53/1363479253.db2.gz OIZGXYBNYXDKPO-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098814211 1363479256 /nfs/dbraw/zinc/47/92/56/1363479256.db2.gz OIZGXYBNYXDKPO-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098819630 1363480911 /nfs/dbraw/zinc/48/09/11/1363480911.db2.gz BUYCYGUOAVFRCO-AEFFLSMTSA-N 2 2 346.519 3.138 20 0 EGADLP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001098820214 1363481826 /nfs/dbraw/zinc/48/18/26/1363481826.db2.gz GOAKLXBRILGFDO-VQIMIIECSA-N 2 2 346.519 3.058 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099263699 1363721387 /nfs/dbraw/zinc/72/13/87/1363721387.db2.gz IMKFIZCPTNNINP-WMZOPIPTSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099263699 1363721390 /nfs/dbraw/zinc/72/13/90/1363721390.db2.gz IMKFIZCPTNNINP-WMZOPIPTSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099263699 1363721393 /nfs/dbraw/zinc/72/13/93/1363721393.db2.gz IMKFIZCPTNNINP-WMZOPIPTSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099263699 1363721395 /nfs/dbraw/zinc/72/13/95/1363721395.db2.gz IMKFIZCPTNNINP-WMZOPIPTSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546894 1364611092 /nfs/dbraw/zinc/61/10/92/1364611092.db2.gz WRZWJXYNKCNWSZ-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546894 1364611097 /nfs/dbraw/zinc/61/10/97/1364611097.db2.gz WRZWJXYNKCNWSZ-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC(C(C)(C)C[NH2+]C(C)C)CC2)c[nH+]1 ZINC001101550560 1364613410 /nfs/dbraw/zinc/61/34/10/1364613410.db2.gz OHGAKBVGDNFOJD-UHFFFAOYSA-N 2 2 348.535 3.189 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185492170 1387730614 /nfs/dbraw/zinc/73/06/14/1387730614.db2.gz LYTJLUMSIFSFFL-SEDCNLEPSA-N 2 2 346.519 3.118 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479822 1365587645 /nfs/dbraw/zinc/58/76/45/1365587645.db2.gz UVTMTCHPTKTHQU-ZIFCJYIRSA-N 2 2 348.535 3.345 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479822 1365587678 /nfs/dbraw/zinc/58/76/78/1365587678.db2.gz UVTMTCHPTKTHQU-ZIFCJYIRSA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517314 1365608273 /nfs/dbraw/zinc/60/82/73/1365608273.db2.gz ISJBKNZCCPVJQW-AKBADGPISA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517314 1365608283 /nfs/dbraw/zinc/60/82/83/1365608283.db2.gz ISJBKNZCCPVJQW-AKBADGPISA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517314 1365608292 /nfs/dbraw/zinc/60/82/92/1365608292.db2.gz ISJBKNZCCPVJQW-AKBADGPISA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517314 1365608295 /nfs/dbraw/zinc/60/82/95/1365608295.db2.gz ISJBKNZCCPVJQW-AKBADGPISA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774797 1365777967 /nfs/dbraw/zinc/77/79/67/1365777967.db2.gz RNWJJHZKUHMXSI-XOIGSVRCSA-N 2 2 346.519 3.094 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774797 1365777969 /nfs/dbraw/zinc/77/79/69/1365777969.db2.gz RNWJJHZKUHMXSI-XOIGSVRCSA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104314901 1365979592 /nfs/dbraw/zinc/97/95/92/1365979592.db2.gz FOEQZGOBXXCJIJ-VDHUWJSZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104314901 1365979593 /nfs/dbraw/zinc/97/95/93/1365979593.db2.gz FOEQZGOBXXCJIJ-VDHUWJSZSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551646 1366526459 /nfs/dbraw/zinc/52/64/59/1366526459.db2.gz JIQIKUBPHNEULP-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566221 1366534279 /nfs/dbraw/zinc/53/42/79/1366534279.db2.gz GVLOLEJDTWTXTA-SFHVURJKSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106289142 1366644174 /nfs/dbraw/zinc/64/41/74/1366644174.db2.gz ZSDQZVXOYVMZLS-GUDVDZBRSA-N 2 2 348.535 3.201 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106318700 1366651350 /nfs/dbraw/zinc/65/13/50/1366651350.db2.gz KSFFTICXIWFLPR-GDBMZVCRSA-N 2 2 342.487 3.297 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491566 1366991725 /nfs/dbraw/zinc/99/17/25/1366991725.db2.gz GPUUODOGYZHAJJ-UYAOXDASSA-N 2 2 346.519 3.070 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491566 1366991729 /nfs/dbraw/zinc/99/17/29/1366991729.db2.gz GPUUODOGYZHAJJ-UYAOXDASSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001109773149 1367315413 /nfs/dbraw/zinc/31/54/13/1367315413.db2.gz IAALJRGRMFHAPX-NQYYFHDYSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001109773149 1367315418 /nfs/dbraw/zinc/31/54/18/1367315418.db2.gz IAALJRGRMFHAPX-NQYYFHDYSA-N 2 2 344.503 3.136 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816797 1367357804 /nfs/dbraw/zinc/35/78/04/1367357804.db2.gz GJCWTEQLWCORJA-ROUUACIJSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816797 1367357807 /nfs/dbraw/zinc/35/78/07/1367357807.db2.gz GJCWTEQLWCORJA-ROUUACIJSA-N 2 2 348.535 3.439 20 0 EGADLP CCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816386 1367358629 /nfs/dbraw/zinc/35/86/29/1367358629.db2.gz CNLPDFHQNJAEKZ-ZWKOTPCHSA-N 2 2 334.508 3.193 20 0 EGADLP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816386 1367358634 /nfs/dbraw/zinc/35/86/34/1367358634.db2.gz CNLPDFHQNJAEKZ-ZWKOTPCHSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579369 1367824169 /nfs/dbraw/zinc/82/41/69/1367824169.db2.gz ZTOKXNGIAGRHFG-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579369 1367824176 /nfs/dbraw/zinc/82/41/76/1367824176.db2.gz ZTOKXNGIAGRHFG-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778446 1367871948 /nfs/dbraw/zinc/87/19/48/1367871948.db2.gz NANSZEQONYUMCE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778446 1367871951 /nfs/dbraw/zinc/87/19/51/1367871951.db2.gz NANSZEQONYUMCE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778446 1367871956 /nfs/dbraw/zinc/87/19/56/1367871956.db2.gz NANSZEQONYUMCE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778446 1367871959 /nfs/dbraw/zinc/87/19/59/1367871959.db2.gz NANSZEQONYUMCE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110642654 1367886848 /nfs/dbraw/zinc/88/68/48/1367886848.db2.gz CZXFDJSISUULOW-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110642654 1367886851 /nfs/dbraw/zinc/88/68/51/1367886851.db2.gz CZXFDJSISUULOW-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001110642654 1367886855 /nfs/dbraw/zinc/88/68/55/1367886855.db2.gz CZXFDJSISUULOW-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001110642654 1367886858 /nfs/dbraw/zinc/88/68/58/1367886858.db2.gz CZXFDJSISUULOW-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699324 1367937141 /nfs/dbraw/zinc/93/71/41/1367937141.db2.gz LOXXMKKTJYLVCI-YRXWBPOGSA-N 2 2 346.519 3.382 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699324 1367937147 /nfs/dbraw/zinc/93/71/47/1367937147.db2.gz LOXXMKKTJYLVCI-YRXWBPOGSA-N 2 2 346.519 3.382 20 0 EGADLP CCCCC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243103 1368574241 /nfs/dbraw/zinc/57/42/41/1368574241.db2.gz TZLKJSLNTHCIRY-GOSISDBHSA-N 2 2 334.508 3.195 20 0 EGADLP CCCCC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243103 1368574246 /nfs/dbraw/zinc/57/42/46/1368574246.db2.gz TZLKJSLNTHCIRY-GOSISDBHSA-N 2 2 334.508 3.195 20 0 EGADLP Cc1n[nH]cc1C[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001196758320 1368677710 /nfs/dbraw/zinc/67/77/10/1368677710.db2.gz GFICDRQISXDWNG-UHFFFAOYSA-N 2 2 340.515 3.495 20 0 EGADLP Cc1n[nH]cc1C[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001196758320 1368677712 /nfs/dbraw/zinc/67/77/12/1368677712.db2.gz GFICDRQISXDWNG-UHFFFAOYSA-N 2 2 340.515 3.495 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198007088 1368941079 /nfs/dbraw/zinc/94/10/79/1368941079.db2.gz KEKPIFSDKPNMGU-HDICACEKSA-N 2 2 345.531 3.473 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198007088 1368941085 /nfs/dbraw/zinc/94/10/85/1368941085.db2.gz KEKPIFSDKPNMGU-HDICACEKSA-N 2 2 345.531 3.473 20 0 EGADLP CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198018849 1368944256 /nfs/dbraw/zinc/94/42/56/1368944256.db2.gz LOAOAKALFMELQN-IBGZPJMESA-N 2 2 345.531 3.188 20 0 EGADLP CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198018849 1368944258 /nfs/dbraw/zinc/94/42/58/1368944258.db2.gz LOAOAKALFMELQN-IBGZPJMESA-N 2 2 345.531 3.188 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC001325435814 1387971789 /nfs/dbraw/zinc/97/17/89/1387971789.db2.gz WTFXIYDHKYGVPI-IAGOWNOFSA-N 2 2 325.456 3.241 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC001325435814 1387971791 /nfs/dbraw/zinc/97/17/91/1387971791.db2.gz WTFXIYDHKYGVPI-IAGOWNOFSA-N 2 2 325.456 3.241 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001112865116 1369056804 /nfs/dbraw/zinc/05/68/04/1369056804.db2.gz UJIDYNHEMODQJM-LKGOPFMKSA-N 2 2 346.519 3.287 20 0 EGADLP CC[NH+](CC)[C@@H](CNCc1c[nH+]ccc1N(C)C)c1ccsc1 ZINC001199246410 1369197451 /nfs/dbraw/zinc/19/74/51/1369197451.db2.gz DWOBJRGDABELKJ-SFHVURJKSA-N 2 2 332.517 3.382 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001200705129 1369417159 /nfs/dbraw/zinc/41/71/59/1369417159.db2.gz ZPTFOCKFFHAFRA-TZIWHRDSSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001200705129 1369417162 /nfs/dbraw/zinc/41/71/62/1369417162.db2.gz ZPTFOCKFFHAFRA-TZIWHRDSSA-N 2 2 342.458 3.107 20 0 EGADLP CC(C)=CC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182048 1369491857 /nfs/dbraw/zinc/49/18/57/1369491857.db2.gz ABYJIIJHVLRUSK-GOSISDBHSA-N 2 2 332.492 3.017 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(COCCOC)cc2)CC1 ZINC001325601517 1388009915 /nfs/dbraw/zinc/00/99/15/1388009915.db2.gz WYVNXTXFXPXOSM-UHFFFAOYSA-N 2 2 334.504 3.156 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857979 1369910056 /nfs/dbraw/zinc/91/00/56/1369910056.db2.gz YVYJWQVFRDGSFD-OSNZYPHYSA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857982 1369910394 /nfs/dbraw/zinc/91/03/94/1369910394.db2.gz YVYJWQVFRDGSFD-UIZHIOIMSA-N 2 2 344.503 3.106 20 0 EGADLP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001114445160 1369947274 /nfs/dbraw/zinc/94/72/74/1369947274.db2.gz LEOLCMBBQFLWME-HCXYKTFWSA-N 2 2 346.519 3.097 20 0 EGADLP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001114445160 1369947278 /nfs/dbraw/zinc/94/72/78/1369947278.db2.gz LEOLCMBBQFLWME-HCXYKTFWSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078529 1369975292 /nfs/dbraw/zinc/97/52/92/1369975292.db2.gz MULFRDGFZNZZRQ-ZWKOTPCHSA-N 2 2 338.455 3.160 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC001203334091 1370087844 /nfs/dbraw/zinc/08/78/44/1370087844.db2.gz VTLCFVRUDQSYSR-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3ccc(NC)[nH+]c3)cc2F)CC1 ZINC001203456742 1370133947 /nfs/dbraw/zinc/13/39/47/1370133947.db2.gz UHDPSTONHNZCCR-UHFFFAOYSA-N 2 2 329.423 3.148 20 0 EGADLP COCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001203691579 1370221775 /nfs/dbraw/zinc/22/17/75/1370221775.db2.gz TXFIPOJJWAUOSQ-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP COCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001203691579 1370221780 /nfs/dbraw/zinc/22/17/80/1370221780.db2.gz TXFIPOJJWAUOSQ-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP COc1cc(C)c(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1C ZINC001203757566 1370251444 /nfs/dbraw/zinc/25/14/44/1370251444.db2.gz FNTLIFLILVZPDW-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001203760155 1370253174 /nfs/dbraw/zinc/25/31/74/1370253174.db2.gz LSPSDCVLXXYDNC-FQEVSTJZSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001203760155 1370253178 /nfs/dbraw/zinc/25/31/78/1370253178.db2.gz LSPSDCVLXXYDNC-FQEVSTJZSA-N 2 2 346.515 3.387 20 0 EGADLP COc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC001203849453 1370289159 /nfs/dbraw/zinc/28/91/59/1370289159.db2.gz LYPJRCQMDGLYDT-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC001203849453 1370289164 /nfs/dbraw/zinc/28/91/64/1370289164.db2.gz LYPJRCQMDGLYDT-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc[nH]2)CC3)cs1 ZINC001204006895 1370346277 /nfs/dbraw/zinc/34/62/77/1370346277.db2.gz SKACULPPZTTXCW-UHFFFAOYSA-N 2 2 330.501 3.410 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](Cc2ccc[nH]2)CC3)cs1 ZINC001204006895 1370346280 /nfs/dbraw/zinc/34/62/80/1370346280.db2.gz SKACULPPZTTXCW-UHFFFAOYSA-N 2 2 330.501 3.410 20 0 EGADLP CSc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204138122 1370386947 /nfs/dbraw/zinc/38/69/47/1370386947.db2.gz CZYGPPHQCWYPJP-RTBURBONSA-N 2 2 339.508 3.367 20 0 EGADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC001204168368 1370396869 /nfs/dbraw/zinc/39/68/69/1370396869.db2.gz PAFYKGRCHARMRD-UHFFFAOYSA-N 2 2 344.499 3.235 20 0 EGADLP CCCCCCOc1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc1 ZINC001204369363 1370455702 /nfs/dbraw/zinc/45/57/02/1370455702.db2.gz UEGLIVKGEONLSC-UHFFFAOYSA-N 2 2 345.531 3.077 20 0 EGADLP COCC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204417369 1370470687 /nfs/dbraw/zinc/47/06/87/1370470687.db2.gz WRFMRECMWNWXEK-UHFFFAOYSA-N 2 2 346.393 3.128 20 0 EGADLP COCC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204417369 1370470690 /nfs/dbraw/zinc/47/06/90/1370470690.db2.gz WRFMRECMWNWXEK-UHFFFAOYSA-N 2 2 346.393 3.128 20 0 EGADLP Cc1cn2cc(Nc3ccc(CN4CC[NH+](C)CC4)cc3)ccc2[nH+]1 ZINC001204733905 1370558134 /nfs/dbraw/zinc/55/81/34/1370558134.db2.gz IIHNDZHXIUICOF-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP Cc1cn2cc(Nc3ccc(C[NH+]4CCN(C)CC4)cc3)ccc2[nH+]1 ZINC001204733905 1370558137 /nfs/dbraw/zinc/55/81/37/1370558137.db2.gz IIHNDZHXIUICOF-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204808143 1370580153 /nfs/dbraw/zinc/58/01/53/1370580153.db2.gz AEQUQRPMTQFDCT-NRFANRHFSA-N 2 2 338.451 3.453 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204808143 1370580160 /nfs/dbraw/zinc/58/01/60/1370580160.db2.gz AEQUQRPMTQFDCT-NRFANRHFSA-N 2 2 338.451 3.453 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001205016838 1370629564 /nfs/dbraw/zinc/62/95/64/1370629564.db2.gz KYQSKMIQXILHQV-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001204877455 1370594606 /nfs/dbraw/zinc/59/46/06/1370594606.db2.gz JMLGQCXSVHSWFV-QMTHXVAHSA-N 2 2 345.231 3.256 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1Cc2ccc(Br)cc2C1 ZINC001204877455 1370594608 /nfs/dbraw/zinc/59/46/08/1370594608.db2.gz JMLGQCXSVHSWFV-QMTHXVAHSA-N 2 2 345.231 3.256 20 0 EGADLP C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001204885365 1370596525 /nfs/dbraw/zinc/59/65/25/1370596525.db2.gz QUKUKRNKDCXDSP-QPJJXVBHSA-N 2 2 333.479 3.121 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCCC1 ZINC001115601591 1370601125 /nfs/dbraw/zinc/60/11/25/1370601125.db2.gz IFBCJVWBDSPLPL-KRWDZBQOSA-N 2 2 346.519 3.044 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204911975 1370603743 /nfs/dbraw/zinc/60/37/43/1370603743.db2.gz OIGFRFVTHRVLLP-LJQANCHMSA-N 2 2 336.435 3.063 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204911975 1370603744 /nfs/dbraw/zinc/60/37/44/1370603744.db2.gz OIGFRFVTHRVLLP-LJQANCHMSA-N 2 2 336.435 3.063 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001205016838 1370629562 /nfs/dbraw/zinc/62/95/62/1370629562.db2.gz KYQSKMIQXILHQV-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC1 ZINC001205311033 1370717285 /nfs/dbraw/zinc/71/72/85/1370717285.db2.gz ARONDGIGPNAACU-MRXNPFEDSA-N 2 2 337.895 3.109 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nc3ccccc3cc2Br)C[C@H]1C[NH3+] ZINC001205315444 1370718760 /nfs/dbraw/zinc/71/87/60/1370718760.db2.gz GURZODBBOCBMRB-GXTWGEPZSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nc3ccccc3cc2Br)C[C@H]1C[NH3+] ZINC001205315444 1370718765 /nfs/dbraw/zinc/71/87/65/1370718765.db2.gz GURZODBBOCBMRB-GXTWGEPZSA-N 2 2 348.288 3.414 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205317706 1370720100 /nfs/dbraw/zinc/72/01/00/1370720100.db2.gz PPIRIFAIKPIHGX-JQWIXIFHSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205317706 1370720102 /nfs/dbraw/zinc/72/01/02/1370720102.db2.gz PPIRIFAIKPIHGX-JQWIXIFHSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC(=O)c1ccc(C)cc1 ZINC001116067129 1370831576 /nfs/dbraw/zinc/83/15/76/1370831576.db2.gz KMPWIOWCYFEKOO-UHFFFAOYSA-N 2 2 348.406 3.486 20 0 EGADLP Cc1ccc(C)c2nc(Cl)c(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)cc12 ZINC001205687920 1370843110 /nfs/dbraw/zinc/84/31/10/1370843110.db2.gz BVEHCYWSNVWQOR-LJQANCHMSA-N 2 2 347.890 3.181 20 0 EGADLP Cc1ccc(C)c2nc(Cl)c(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)cc12 ZINC001205687920 1370843113 /nfs/dbraw/zinc/84/31/13/1370843113.db2.gz BVEHCYWSNVWQOR-LJQANCHMSA-N 2 2 347.890 3.181 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205917445 1370910539 /nfs/dbraw/zinc/91/05/39/1370910539.db2.gz YRTZYSQNVLNCOD-CHWSQXEVSA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205917445 1370910546 /nfs/dbraw/zinc/91/05/46/1370910546.db2.gz YRTZYSQNVLNCOD-CHWSQXEVSA-N 2 2 338.546 3.456 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Br ZINC001205923933 1370913132 /nfs/dbraw/zinc/91/31/32/1370913132.db2.gz QLMKUNGINRAWNW-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1Br ZINC001205923933 1370913135 /nfs/dbraw/zinc/91/31/35/1370913135.db2.gz QLMKUNGINRAWNW-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]([NH3+])C3)o2)cc1 ZINC001205933180 1370915907 /nfs/dbraw/zinc/91/59/07/1370915907.db2.gz ZYVXRZAFONRUKX-QGZVFWFLSA-N 2 2 342.439 3.437 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]([NH3+])C3)o2)cc1 ZINC001205933180 1370915910 /nfs/dbraw/zinc/91/59/10/1370915910.db2.gz ZYVXRZAFONRUKX-QGZVFWFLSA-N 2 2 342.439 3.437 20 0 EGADLP COC(=O)[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078604 1370956492 /nfs/dbraw/zinc/95/64/92/1370956492.db2.gz WRYKLTTWKXIZSP-OALUTQOASA-N 2 2 346.515 3.464 20 0 EGADLP COC(=O)[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078604 1370956501 /nfs/dbraw/zinc/95/65/01/1370956501.db2.gz WRYKLTTWKXIZSP-OALUTQOASA-N 2 2 346.515 3.464 20 0 EGADLP COc1ccc2c(c1)[C@@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)CC2 ZINC001116772336 1370970966 /nfs/dbraw/zinc/97/09/66/1370970966.db2.gz RHTCOYXJLIPCPR-INIZCTEOSA-N 2 2 348.406 3.253 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206185187 1370985076 /nfs/dbraw/zinc/98/50/76/1370985076.db2.gz LLOSDMXAXULKCX-VXGBXAGGSA-N 2 2 335.286 3.334 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206185187 1370985080 /nfs/dbraw/zinc/98/50/80/1370985080.db2.gz LLOSDMXAXULKCX-VXGBXAGGSA-N 2 2 335.286 3.334 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)CC[C@@H]1F ZINC001206186015 1370986041 /nfs/dbraw/zinc/98/60/41/1370986041.db2.gz PSVGTJTXVPRMSB-UONOGXRCSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)CC[C@@H]1F ZINC001206186015 1370986046 /nfs/dbraw/zinc/98/60/46/1370986046.db2.gz PSVGTJTXVPRMSB-UONOGXRCSA-N 2 2 340.240 3.192 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206211047 1370993950 /nfs/dbraw/zinc/99/39/50/1370993950.db2.gz MNLABFPRSSKHRY-STQMWFEESA-N 2 2 345.256 3.109 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206211047 1370993955 /nfs/dbraw/zinc/99/39/55/1370993955.db2.gz MNLABFPRSSKHRY-STQMWFEESA-N 2 2 345.256 3.109 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@@H](C)C3)o2)cc1 ZINC001206269388 1371008598 /nfs/dbraw/zinc/00/85/98/1371008598.db2.gz LNQHZHXQEHIEAU-OAHLLOKOSA-N 2 2 342.439 3.165 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@@H](C)C3)o2)cc1 ZINC001206269388 1371008600 /nfs/dbraw/zinc/00/86/00/1371008600.db2.gz LNQHZHXQEHIEAU-OAHLLOKOSA-N 2 2 342.439 3.165 20 0 EGADLP Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280952 1371010867 /nfs/dbraw/zinc/01/08/67/1371010867.db2.gz ZJWJRIJFAASFJI-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280952 1371010869 /nfs/dbraw/zinc/01/08/69/1371010869.db2.gz ZJWJRIJFAASFJI-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280952 1371010874 /nfs/dbraw/zinc/01/08/74/1371010874.db2.gz ZJWJRIJFAASFJI-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001206280952 1371010876 /nfs/dbraw/zinc/01/08/76/1371010876.db2.gz ZJWJRIJFAASFJI-KFKAGJAMSA-N 2 2 344.528 3.214 20 0 EGADLP COc1ncccc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001206553846 1371092088 /nfs/dbraw/zinc/09/20/88/1371092088.db2.gz MBSNGZRZDZZJPW-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206563685 1371094652 /nfs/dbraw/zinc/09/46/52/1371094652.db2.gz GZKRMTWMRHISLW-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206563685 1371094653 /nfs/dbraw/zinc/09/46/53/1371094653.db2.gz GZKRMTWMRHISLW-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001206566348 1371094907 /nfs/dbraw/zinc/09/49/07/1371094907.db2.gz ZZSXXPUYBUMOSG-IBGZPJMESA-N 2 2 329.444 3.205 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001206566348 1371094910 /nfs/dbraw/zinc/09/49/10/1371094910.db2.gz ZZSXXPUYBUMOSG-IBGZPJMESA-N 2 2 329.444 3.205 20 0 EGADLP CC1(C[NH3+])C[NH+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001206722784 1371145429 /nfs/dbraw/zinc/14/54/29/1371145429.db2.gz GKMNJBZKBGJGOH-UHFFFAOYSA-N 2 2 346.272 3.292 20 0 EGADLP CC(C)([NH3+])CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001118221447 1371148687 /nfs/dbraw/zinc/14/86/87/1371148687.db2.gz COEVIMVKZHMZBE-UHFFFAOYSA-N 2 2 343.475 3.005 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206737844 1371149727 /nfs/dbraw/zinc/14/97/27/1371149727.db2.gz SOFAIMVHNLGSTO-UHFFFAOYSA-N 2 2 325.456 3.244 20 0 EGADLP [NH3+]Cc1c[nH]c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc12 ZINC001206740064 1371150192 /nfs/dbraw/zinc/15/01/92/1371150192.db2.gz NIYQSSMIVQIZFY-UHFFFAOYSA-N 2 2 339.414 3.265 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001206742016 1371151738 /nfs/dbraw/zinc/15/17/38/1371151738.db2.gz COWZZQQJBNWXNP-UHFFFAOYSA-N 2 2 343.450 3.091 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120069042 1371477209 /nfs/dbraw/zinc/47/72/09/1371477209.db2.gz SCIMGXIPFPBJLF-WAYWQWQTSA-N 2 2 346.519 3.416 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1 ZINC001120560922 1371611257 /nfs/dbraw/zinc/61/12/57/1371611257.db2.gz KPSNYFCIUXATCA-SFTDATJTSA-N 2 2 349.478 3.287 20 0 EGADLP CC(C)OCc1ncn2c1C[N@H+](CC1(C[NH+](C)C)CCCC1)CCC2 ZINC001208193019 1371633233 /nfs/dbraw/zinc/63/32/33/1371633233.db2.gz ZARUJXBAKUHZRO-UHFFFAOYSA-N 2 2 348.535 3.136 20 0 EGADLP CC(C)OCc1ncn2c1C[N@@H+](CC1(C[NH+](C)C)CCCC1)CCC2 ZINC001208193019 1371633265 /nfs/dbraw/zinc/63/32/65/1371633265.db2.gz ZARUJXBAKUHZRO-UHFFFAOYSA-N 2 2 348.535 3.136 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208361620 1371735352 /nfs/dbraw/zinc/73/53/52/1371735352.db2.gz GIBNAADRCMNPAJ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001208361620 1371735357 /nfs/dbraw/zinc/73/53/57/1371735357.db2.gz GIBNAADRCMNPAJ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc2c(c1)CCCO2 ZINC001326345047 1388160692 /nfs/dbraw/zinc/16/06/92/1388160692.db2.gz WZLYTXJGJZKDCO-UHFFFAOYSA-N 2 2 348.406 3.082 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208552203 1371814903 /nfs/dbraw/zinc/81/49/03/1371814903.db2.gz WKWNQNQYWNKTMD-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCc2cccnc2OC(C)C)C1 ZINC001208801422 1371901217 /nfs/dbraw/zinc/90/12/17/1371901217.db2.gz PBLZPNAUMKBOCR-GOSISDBHSA-N 2 2 341.455 3.268 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCc2cccnc2OC(C)C)C1 ZINC001208801422 1371901223 /nfs/dbraw/zinc/90/12/23/1371901223.db2.gz PBLZPNAUMKBOCR-GOSISDBHSA-N 2 2 341.455 3.268 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208805337 1371901423 /nfs/dbraw/zinc/90/14/23/1371901423.db2.gz CSPDNNNXCFFXMY-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CC(C)CC[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121295003 1371926349 /nfs/dbraw/zinc/92/63/49/1371926349.db2.gz LEPSDDNGAFNWOF-UHFFFAOYSA-N 2 2 340.471 3.240 20 0 EGADLP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892614 1371935116 /nfs/dbraw/zinc/93/51/16/1371935116.db2.gz FGHGHCLMHCAAPB-VNQPRFMTSA-N 2 2 334.426 3.008 20 0 EGADLP C[C@H](C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892614 1371935124 /nfs/dbraw/zinc/93/51/24/1371935124.db2.gz FGHGHCLMHCAAPB-VNQPRFMTSA-N 2 2 334.426 3.008 20 0 EGADLP C[C@H](C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892614 1371935129 /nfs/dbraw/zinc/93/51/29/1371935129.db2.gz FGHGHCLMHCAAPB-VNQPRFMTSA-N 2 2 334.426 3.008 20 0 EGADLP C[C@H](C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892614 1371935133 /nfs/dbraw/zinc/93/51/33/1371935133.db2.gz FGHGHCLMHCAAPB-VNQPRFMTSA-N 2 2 334.426 3.008 20 0 EGADLP O=C1CCC[C@@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946957 1371958209 /nfs/dbraw/zinc/95/82/09/1371958209.db2.gz JLVDTCSRTTXXDN-XUVXKRRUSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946957 1371958213 /nfs/dbraw/zinc/95/82/13/1371958213.db2.gz JLVDTCSRTTXXDN-XUVXKRRUSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946957 1371958217 /nfs/dbraw/zinc/95/82/17/1371958217.db2.gz JLVDTCSRTTXXDN-XUVXKRRUSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946957 1371958219 /nfs/dbraw/zinc/95/82/19/1371958219.db2.gz JLVDTCSRTTXXDN-XUVXKRRUSA-N 2 2 326.484 3.200 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]CC[C@H](C)F)C3)c(C)[nH+]1 ZINC001121444129 1371976980 /nfs/dbraw/zinc/97/69/80/1371976980.db2.gz WFJCMPRSGIJDDO-ONHPUITHSA-N 2 2 347.478 3.386 20 0 EGADLP C[NH+](C)CCC[NH+](CCCCOCc1ccccc1)CCC[NH+](C)C ZINC001209259042 1372052848 /nfs/dbraw/zinc/05/28/48/1372052848.db2.gz PFISYJIZPXGTBF-UHFFFAOYSA-N 3 2 349.563 3.189 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209357390 1372076521 /nfs/dbraw/zinc/07/65/21/1372076521.db2.gz NYPOAKRHWDMMDY-KRWDZBQOSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001209357390 1372076528 /nfs/dbraw/zinc/07/65/28/1372076528.db2.gz NYPOAKRHWDMMDY-KRWDZBQOSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209357390 1372076534 /nfs/dbraw/zinc/07/65/34/1372076534.db2.gz NYPOAKRHWDMMDY-KRWDZBQOSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001209357390 1372076536 /nfs/dbraw/zinc/07/65/36/1372076536.db2.gz NYPOAKRHWDMMDY-KRWDZBQOSA-N 2 2 339.524 3.242 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCCNC(=O)OC(C)(C)C)C1 ZINC001209368228 1372078907 /nfs/dbraw/zinc/07/89/07/1372078907.db2.gz IJLUQIYYHROOGG-MRXNPFEDSA-N 2 2 349.475 3.148 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCCNC(=O)OC(C)(C)C)C1 ZINC001209368228 1372078915 /nfs/dbraw/zinc/07/89/15/1372078915.db2.gz IJLUQIYYHROOGG-MRXNPFEDSA-N 2 2 349.475 3.148 20 0 EGADLP COC1CCC(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392091 1372088361 /nfs/dbraw/zinc/08/83/61/1372088361.db2.gz ZSPYZTPGHCEETN-IKJBURDNSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392091 1372088368 /nfs/dbraw/zinc/08/83/68/1372088368.db2.gz ZSPYZTPGHCEETN-IKJBURDNSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001209392091 1372088373 /nfs/dbraw/zinc/08/83/73/1372088373.db2.gz ZSPYZTPGHCEETN-IKJBURDNSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001209392091 1372088377 /nfs/dbraw/zinc/08/83/77/1372088377.db2.gz ZSPYZTPGHCEETN-IKJBURDNSA-N 2 2 349.544 3.245 20 0 EGADLP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209450499 1372109175 /nfs/dbraw/zinc/10/91/75/1372109175.db2.gz KOSNGKZCBDIKKQ-BZSNNMDCSA-N 2 2 336.520 3.305 20 0 EGADLP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC[NH+]1CCCCC1 ZINC001209450499 1372109177 /nfs/dbraw/zinc/10/91/77/1372109177.db2.gz KOSNGKZCBDIKKQ-BZSNNMDCSA-N 2 2 336.520 3.305 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121897321 1372117554 /nfs/dbraw/zinc/11/75/54/1372117554.db2.gz YQZXSDGHHMNOHZ-WIOLVWRCSA-N 2 2 346.519 3.186 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121897321 1372117559 /nfs/dbraw/zinc/11/75/59/1372117559.db2.gz YQZXSDGHHMNOHZ-WIOLVWRCSA-N 2 2 346.519 3.186 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC)cc1OCC ZINC001209689816 1372170891 /nfs/dbraw/zinc/17/08/91/1372170891.db2.gz KWLMPQFYNNHYCP-UHFFFAOYSA-N 2 2 336.476 3.036 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC)cc1OCC ZINC001209689816 1372170898 /nfs/dbraw/zinc/17/08/98/1372170898.db2.gz KWLMPQFYNNHYCP-UHFFFAOYSA-N 2 2 336.476 3.036 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001209718993 1372177878 /nfs/dbraw/zinc/17/78/78/1372177878.db2.gz RGKGXPBNPWGDRL-MRXNPFEDSA-N 2 2 345.491 3.068 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285059 1372221301 /nfs/dbraw/zinc/22/13/01/1372221301.db2.gz MVGLXDKFYWGCRH-UHFFFAOYSA-N 2 2 346.519 3.261 20 0 EGADLP C[N@@H+]1CCc2c(sc(Nc3ccc4c[nH+]ccc4c3)c2C(N)=O)C1 ZINC001210043184 1372261343 /nfs/dbraw/zinc/26/13/43/1372261343.db2.gz ADSQLYCVTLJKGT-UHFFFAOYSA-N 2 2 338.436 3.127 20 0 EGADLP C[N@H+]1CCc2c(sc(Nc3ccc4c[nH+]ccc4c3)c2C(N)=O)C1 ZINC001210043184 1372261348 /nfs/dbraw/zinc/26/13/48/1372261348.db2.gz ADSQLYCVTLJKGT-UHFFFAOYSA-N 2 2 338.436 3.127 20 0 EGADLP c1c[nH+]c(N2CCOCC2)c(Nc2c[nH+]ccc2N2CCCCC2)c1 ZINC001212355794 1372693056 /nfs/dbraw/zinc/69/30/56/1372693056.db2.gz ANEGLLQVONXPPS-UHFFFAOYSA-N 2 2 339.443 3.047 20 0 EGADLP C[NH+]1CCN(c2ccccc2Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001212695637 1372754860 /nfs/dbraw/zinc/75/48/60/1372754860.db2.gz OBPGECXHMTZONB-UHFFFAOYSA-N 2 2 347.466 3.427 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@@H](C)c3ccccc3C)ccn12 ZINC001127292843 1373112733 /nfs/dbraw/zinc/11/27/33/1373112733.db2.gz MUQSNKRJVNXLGZ-INIZCTEOSA-N 2 2 336.439 3.032 20 0 EGADLP C[NH2+]Cc1cccc(Nc2ccccc2C[NH+]2CCN(C)CC2)c1F ZINC001216222379 1373284693 /nfs/dbraw/zinc/28/46/93/1373284693.db2.gz AUSNNYWXKDDRIN-UHFFFAOYSA-N 2 2 342.462 3.036 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3cccc4c3C[NH2+]CC4)n2)c[nH+]1 ZINC001217191461 1373402247 /nfs/dbraw/zinc/40/22/47/1373402247.db2.gz IAPWLQIKDMACOF-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP C[NH+]1CCC(c2c[nH]c3ccc(O[C@H]4CC[NH2+]CC4(F)F)cc32)CC1 ZINC001218008049 1373534281 /nfs/dbraw/zinc/53/42/81/1373534281.db2.gz VVVWRKWFJGSJRE-SFHVURJKSA-N 2 2 349.425 3.353 20 0 EGADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1csc(C(F)(F)F)c1-c1ccccc1 ZINC001218608067 1373636329 /nfs/dbraw/zinc/63/63/29/1373636329.db2.gz PNJMFZRWMJFVGA-JTQLQIEISA-N 2 2 343.374 3.049 20 0 EGADLP Fc1cc(-c2ccc(C[NH+]3CC4(C3)CC[NH2+]C4)cc2)cnc1Cl ZINC001222379525 1373829671 /nfs/dbraw/zinc/82/96/71/1373829671.db2.gz BTPUWZXESRKFJM-UHFFFAOYSA-N 2 2 331.822 3.336 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001326712853 1388287492 /nfs/dbraw/zinc/28/74/92/1388287492.db2.gz CYQIALKZUXGZBV-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001326712853 1388287495 /nfs/dbraw/zinc/28/74/95/1388287495.db2.gz CYQIALKZUXGZBV-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024968 1375104167 /nfs/dbraw/zinc/10/41/67/1375104167.db2.gz KWEYYDCXNHOVLS-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132024968 1375104172 /nfs/dbraw/zinc/10/41/72/1375104172.db2.gz KWEYYDCXNHOVLS-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC001132081926 1375137141 /nfs/dbraw/zinc/13/71/41/1375137141.db2.gz GKZIJPPRFLYONR-MRXNPFEDSA-N 2 2 342.487 3.038 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091242 1375140794 /nfs/dbraw/zinc/14/07/94/1375140794.db2.gz VCIILBNIEXETDL-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132091242 1375140799 /nfs/dbraw/zinc/14/07/99/1375140799.db2.gz VCIILBNIEXETDL-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091242 1375140802 /nfs/dbraw/zinc/14/08/02/1375140802.db2.gz VCIILBNIEXETDL-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132091242 1375140806 /nfs/dbraw/zinc/14/08/06/1375140806.db2.gz VCIILBNIEXETDL-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091186 1375141503 /nfs/dbraw/zinc/14/15/03/1375141503.db2.gz TZMJALJWODIITM-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132091186 1375141507 /nfs/dbraw/zinc/14/15/07/1375141507.db2.gz TZMJALJWODIITM-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091186 1375141511 /nfs/dbraw/zinc/14/15/11/1375141511.db2.gz TZMJALJWODIITM-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CC1CCCCCC1 ZINC001132091186 1375141514 /nfs/dbraw/zinc/14/15/14/1375141514.db2.gz TZMJALJWODIITM-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227630211 1375456600 /nfs/dbraw/zinc/45/66/00/1375456600.db2.gz CTIDIDDZBHMRCA-BRWVUGGUSA-N 2 2 335.467 3.386 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249451 1375533712 /nfs/dbraw/zinc/53/37/12/1375533712.db2.gz LNEGNJBZKVIAJE-INIZCTEOSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919321 1375643113 /nfs/dbraw/zinc/64/31/13/1375643113.db2.gz IIZWKZWTAQAFPU-RDJZCZTQSA-N 2 2 340.471 3.217 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919272 1375644012 /nfs/dbraw/zinc/64/40/12/1375644012.db2.gz HKQZVEKXKSEXSV-NVXWUHKLSA-N 2 2 342.487 3.297 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228852390 1375693779 /nfs/dbraw/zinc/69/37/79/1375693779.db2.gz KFMKGIOHFJIBPO-PNBJTTCPSA-N 2 2 332.492 3.208 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)n1cc[nH+]c1 ZINC001228854480 1375696083 /nfs/dbraw/zinc/69/60/83/1375696083.db2.gz YLMCBSNGVVOKBS-BHIYHBOVSA-N 2 2 346.519 3.432 20 0 EGADLP COc1ccccc1C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC001327152304 1388407391 /nfs/dbraw/zinc/40/73/91/1388407391.db2.gz XXLZFOSAPGSMJK-SFHVURJKSA-N 2 2 344.499 3.307 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610892 1376100747 /nfs/dbraw/zinc/10/07/47/1376100747.db2.gz JJNRGBRGWDNXPJ-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610892 1376100751 /nfs/dbraw/zinc/10/07/51/1376100751.db2.gz JJNRGBRGWDNXPJ-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403457 1376512595 /nfs/dbraw/zinc/51/25/95/1376512595.db2.gz NLRPIQPCFBRLMR-HZPDHXFCSA-N 2 2 348.535 3.071 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001134517377 1376574190 /nfs/dbraw/zinc/57/41/90/1376574190.db2.gz FGEOKERFSUXRBH-PBHICJAKSA-N 2 2 348.878 3.345 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cccc(Cl)c1 ZINC001134545576 1376584917 /nfs/dbraw/zinc/58/49/17/1376584917.db2.gz PTTHAMBJBNVWPB-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)c1 ZINC001134545576 1376584921 /nfs/dbraw/zinc/58/49/21/1376584921.db2.gz PTTHAMBJBNVWPB-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC001233363932 1376630327 /nfs/dbraw/zinc/63/03/27/1376630327.db2.gz HNADOFZDGKJVKS-UXHICEINSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC001233363932 1376630330 /nfs/dbraw/zinc/63/03/30/1376630330.db2.gz HNADOFZDGKJVKS-UXHICEINSA-N 2 2 346.478 3.288 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741427 1376691534 /nfs/dbraw/zinc/69/15/34/1376691534.db2.gz WZESTJHYXNCNHI-KBPBESRZSA-N 2 2 334.439 3.189 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963815 1376813888 /nfs/dbraw/zinc/81/38/88/1376813888.db2.gz ATAVJKWLSBDUMD-HOTGVXAUSA-N 2 2 342.487 3.401 20 0 EGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113796 1376846894 /nfs/dbraw/zinc/84/68/94/1376846894.db2.gz FZUWVGAZUOYBRD-QGZVFWFLSA-N 2 2 342.405 3.092 20 0 EGADLP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113796 1376846896 /nfs/dbraw/zinc/84/68/96/1376846896.db2.gz FZUWVGAZUOYBRD-QGZVFWFLSA-N 2 2 342.405 3.092 20 0 EGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114849 1376848729 /nfs/dbraw/zinc/84/87/29/1376848729.db2.gz ONZYWLYFPJBCLN-OAQYLSRUSA-N 2 2 340.467 3.193 20 0 EGADLP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114849 1376848733 /nfs/dbraw/zinc/84/87/33/1376848733.db2.gz ONZYWLYFPJBCLN-OAQYLSRUSA-N 2 2 340.467 3.193 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc(C)c1OC(C)C ZINC001235121674 1376851862 /nfs/dbraw/zinc/85/18/62/1376851862.db2.gz VKAUXRSIUKEWLN-HXUWFJFHSA-N 2 2 332.488 3.045 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc(C)c1OC(C)C ZINC001235121674 1376851867 /nfs/dbraw/zinc/85/18/67/1376851867.db2.gz VKAUXRSIUKEWLN-HXUWFJFHSA-N 2 2 332.488 3.045 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182937 1376939458 /nfs/dbraw/zinc/93/94/58/1376939458.db2.gz AVPXNEDUJCICCL-GMAHTHKFSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182937 1376939464 /nfs/dbraw/zinc/93/94/64/1376939464.db2.gz AVPXNEDUJCICCL-GMAHTHKFSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182937 1376939469 /nfs/dbraw/zinc/93/94/69/1376939469.db2.gz AVPXNEDUJCICCL-GMAHTHKFSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182937 1376939473 /nfs/dbraw/zinc/93/94/73/1376939473.db2.gz AVPXNEDUJCICCL-GMAHTHKFSA-N 3 2 347.506 3.244 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246380962 1377051614 /nfs/dbraw/zinc/05/16/14/1377051614.db2.gz LJQNZPRBXUHCTD-REPLKXPHSA-N 3 2 347.522 3.389 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246937532 1377055611 /nfs/dbraw/zinc/05/56/11/1377055611.db2.gz PLRIXQGGRHUROT-QRQLOZEOSA-N 2 2 348.462 3.112 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246937532 1377055614 /nfs/dbraw/zinc/05/56/14/1377055614.db2.gz PLRIXQGGRHUROT-QRQLOZEOSA-N 2 2 348.462 3.112 20 0 EGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2c(F)cc(Br)cc2F)CC1 ZINC001254508512 1377105290 /nfs/dbraw/zinc/10/52/90/1377105290.db2.gz KAAPOYSQFGKHSI-NSHDSACASA-N 2 2 333.220 3.301 20 0 EGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2c(F)cc(Br)cc2F)CC1 ZINC001254508512 1377105294 /nfs/dbraw/zinc/10/52/94/1377105294.db2.gz KAAPOYSQFGKHSI-NSHDSACASA-N 2 2 333.220 3.301 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c[nH]c2c1 ZINC001136970029 1377447134 /nfs/dbraw/zinc/44/71/34/1377447134.db2.gz HCICUQUOLHUZFE-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@@H]3C2)c1 ZINC001137042719 1377465198 /nfs/dbraw/zinc/46/51/98/1377465198.db2.gz QQRVINWRBKNCDH-HZPDHXFCSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@@H]3C2)c1 ZINC001137042719 1377465200 /nfs/dbraw/zinc/46/52/00/1377465200.db2.gz QQRVINWRBKNCDH-HZPDHXFCSA-N 2 2 338.480 3.188 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)cccc3Br)C[C@@H]2C1 ZINC001137811315 1377620347 /nfs/dbraw/zinc/62/03/47/1377620347.db2.gz CZZNEOBEYZYBLB-NEPJUHHUSA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(Cl)cccc3Br)C[C@@H]2C1 ZINC001137811315 1377620350 /nfs/dbraw/zinc/62/03/50/1377620350.db2.gz CZZNEOBEYZYBLB-NEPJUHHUSA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(Cl)cccc3Br)C[C@@H]2C1 ZINC001137811315 1377620357 /nfs/dbraw/zinc/62/03/57/1377620357.db2.gz CZZNEOBEYZYBLB-NEPJUHHUSA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Br)C[C@@H]2C1 ZINC001137811315 1377620361 /nfs/dbraw/zinc/62/03/61/1377620361.db2.gz CZZNEOBEYZYBLB-NEPJUHHUSA-N 2 2 343.696 3.486 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@H]3C2)c1 ZINC001138107220 1377678098 /nfs/dbraw/zinc/67/80/98/1377678098.db2.gz MUEOZDGGNLZJTL-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP COc1c(F)cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1F ZINC001138423163 1377720784 /nfs/dbraw/zinc/72/07/84/1377720784.db2.gz SZICLZNYZQKXDI-UHFFFAOYSA-N 2 2 347.409 3.416 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC001138544298 1377739814 /nfs/dbraw/zinc/73/98/14/1377739814.db2.gz FWIBBHBDJVNGOW-UHFFFAOYSA-N 2 2 339.361 3.070 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC001138548816 1377740613 /nfs/dbraw/zinc/74/06/13/1377740613.db2.gz NCNXJLXLRZVOLL-HXUWFJFHSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC001138548816 1377740623 /nfs/dbraw/zinc/74/06/23/1377740623.db2.gz NCNXJLXLRZVOLL-HXUWFJFHSA-N 2 2 334.423 3.149 20 0 EGADLP CCCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041578 1377821297 /nfs/dbraw/zinc/82/12/97/1377821297.db2.gz LKLNNWWDUSNEDD-RTWAWAEBSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041578 1377821298 /nfs/dbraw/zinc/82/12/98/1377821298.db2.gz LKLNNWWDUSNEDD-RTWAWAEBSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041578 1377821299 /nfs/dbraw/zinc/82/12/99/1377821299.db2.gz LKLNNWWDUSNEDD-RTWAWAEBSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001139041578 1377821300 /nfs/dbraw/zinc/82/13/00/1377821300.db2.gz LKLNNWWDUSNEDD-RTWAWAEBSA-N 2 2 338.499 3.247 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3[nH]c(-c4ccccc4)nc3Cl)C[C@@H]2C1 ZINC001139282348 1377861849 /nfs/dbraw/zinc/86/18/49/1377861849.db2.gz SQMDNCBRCSUUNA-CABCVRRESA-N 2 2 330.863 3.114 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3[nH]c(-c4ccccc4)nc3Cl)C[C@@H]2C1 ZINC001139282348 1377861852 /nfs/dbraw/zinc/86/18/52/1377861852.db2.gz SQMDNCBRCSUUNA-CABCVRRESA-N 2 2 330.863 3.114 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3[nH]c(-c4ccccc4)nc3Cl)C[C@@H]2C1 ZINC001139282348 1377861853 /nfs/dbraw/zinc/86/18/53/1377861853.db2.gz SQMDNCBRCSUUNA-CABCVRRESA-N 2 2 330.863 3.114 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3[nH]c(-c4ccccc4)nc3Cl)C[C@@H]2C1 ZINC001139282348 1377861854 /nfs/dbraw/zinc/86/18/54/1377861854.db2.gz SQMDNCBRCSUUNA-CABCVRRESA-N 2 2 330.863 3.114 20 0 EGADLP O=c1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c[nH]1 ZINC001139466412 1377888741 /nfs/dbraw/zinc/88/87/41/1377888741.db2.gz LNKFAIRFNKCROZ-UHFFFAOYSA-N 2 2 346.390 3.294 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139894807 1377974551 /nfs/dbraw/zinc/97/45/51/1377974551.db2.gz FWZJZTUAYVGEEF-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139894807 1377974553 /nfs/dbraw/zinc/97/45/53/1377974553.db2.gz FWZJZTUAYVGEEF-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[N@@H+](Cc1cnc(Cl)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139992221 1377988260 /nfs/dbraw/zinc/98/82/60/1377988260.db2.gz UTCSWSYLQODDAB-MRXNPFEDSA-N 2 2 330.863 3.084 20 0 EGADLP C[N@H+](Cc1cnc(Cl)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139992221 1377988262 /nfs/dbraw/zinc/98/82/62/1377988262.db2.gz UTCSWSYLQODDAB-MRXNPFEDSA-N 2 2 330.863 3.084 20 0 EGADLP C[NH+](Cc1cnc(Cl)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139992221 1377988264 /nfs/dbraw/zinc/98/82/64/1377988264.db2.gz UTCSWSYLQODDAB-MRXNPFEDSA-N 2 2 330.863 3.084 20 0 EGADLP C[NH+](Cc1cnc(Cl)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139992221 1377988266 /nfs/dbraw/zinc/98/82/66/1377988266.db2.gz UTCSWSYLQODDAB-MRXNPFEDSA-N 2 2 330.863 3.084 20 0 EGADLP C[N@@H+](Cc1cnc(Cl)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139992220 1377988329 /nfs/dbraw/zinc/98/83/29/1377988329.db2.gz UTCSWSYLQODDAB-INIZCTEOSA-N 2 2 330.863 3.084 20 0 EGADLP C[N@H+](Cc1cnc(Cl)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139992220 1377988330 /nfs/dbraw/zinc/98/83/30/1377988330.db2.gz UTCSWSYLQODDAB-INIZCTEOSA-N 2 2 330.863 3.084 20 0 EGADLP C[NH+](Cc1cnc(Cl)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139992220 1377988332 /nfs/dbraw/zinc/98/83/32/1377988332.db2.gz UTCSWSYLQODDAB-INIZCTEOSA-N 2 2 330.863 3.084 20 0 EGADLP C[NH+](Cc1cnc(Cl)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139992220 1377988335 /nfs/dbraw/zinc/98/83/35/1377988335.db2.gz UTCSWSYLQODDAB-INIZCTEOSA-N 2 2 330.863 3.084 20 0 EGADLP C[N@@H+](Cc1ccc(O)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140128339 1378014872 /nfs/dbraw/zinc/01/48/72/1378014872.db2.gz LYQXIROZWQTCCA-KRWDZBQOSA-N 2 2 328.431 3.485 20 0 EGADLP C[N@H+](Cc1ccc(O)cc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140128339 1378014874 /nfs/dbraw/zinc/01/48/74/1378014874.db2.gz LYQXIROZWQTCCA-KRWDZBQOSA-N 2 2 328.431 3.485 20 0 EGADLP C[NH+](Cc1ccc(O)cc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140128339 1378014876 /nfs/dbraw/zinc/01/48/76/1378014876.db2.gz LYQXIROZWQTCCA-KRWDZBQOSA-N 2 2 328.431 3.485 20 0 EGADLP C[NH+](Cc1ccc(O)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140128339 1378014878 /nfs/dbraw/zinc/01/48/78/1378014878.db2.gz LYQXIROZWQTCCA-KRWDZBQOSA-N 2 2 328.431 3.485 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OC(F)F)c(O)c2)CC1 ZINC001140630051 1378100920 /nfs/dbraw/zinc/10/09/20/1378100920.db2.gz GEQLNXLOYFFXTQ-UHFFFAOYSA-N 2 2 349.381 3.019 20 0 EGADLP Cc1cc(F)c(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1Br ZINC001140698909 1378117762 /nfs/dbraw/zinc/11/77/62/1378117762.db2.gz VRVBGMANFOMZBH-UHFFFAOYSA-N 2 2 341.268 3.424 20 0 EGADLP C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cncc(Br)c1 ZINC001140800905 1378139112 /nfs/dbraw/zinc/13/91/12/1378139112.db2.gz AACJMJXOJXHFCD-UHFFFAOYSA-N 2 2 331.217 3.352 20 0 EGADLP C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1cncc(Br)c1 ZINC001140800905 1378139114 /nfs/dbraw/zinc/13/91/14/1378139114.db2.gz AACJMJXOJXHFCD-UHFFFAOYSA-N 2 2 331.217 3.352 20 0 EGADLP Fc1cccc(F)c1CN1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806254 1378146926 /nfs/dbraw/zinc/14/69/26/1378146926.db2.gz ZEOZKZYZTLBSGX-UHFFFAOYSA-N 2 2 342.393 3.159 20 0 EGADLP Clc1ccc(-n2cccc2C[N@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001140941699 1378186782 /nfs/dbraw/zinc/18/67/82/1378186782.db2.gz RZPCYDPDRMTWHR-UHFFFAOYSA-N 2 2 326.831 3.386 20 0 EGADLP Clc1ccc(-n2cccc2C[N@@H+]2CCc3[nH+]ccn3CC2)cc1 ZINC001140941699 1378186787 /nfs/dbraw/zinc/18/67/87/1378186787.db2.gz RZPCYDPDRMTWHR-UHFFFAOYSA-N 2 2 326.831 3.386 20 0 EGADLP CCCCc1[nH]c(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c[nH+]1 ZINC001141072020 1378231018 /nfs/dbraw/zinc/23/10/18/1378231018.db2.gz LPUDHSUMWDKCSY-OALUTQOASA-N 2 2 338.499 3.316 20 0 EGADLP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441037 1378308802 /nfs/dbraw/zinc/30/88/02/1378308802.db2.gz ZCBUMNAPTBLVEB-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441037 1378308806 /nfs/dbraw/zinc/30/88/06/1378308806.db2.gz ZCBUMNAPTBLVEB-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441037 1378308810 /nfs/dbraw/zinc/30/88/10/1378308810.db2.gz ZCBUMNAPTBLVEB-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441037 1378308813 /nfs/dbraw/zinc/30/88/13/1378308813.db2.gz ZCBUMNAPTBLVEB-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP CC(=O)OCc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001141787073 1378375904 /nfs/dbraw/zinc/37/59/04/1378375904.db2.gz GUWUVHGIOYVDQS-QGZVFWFLSA-N 2 2 334.460 3.183 20 0 EGADLP CC(=O)OCc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)o1 ZINC001141787073 1378375908 /nfs/dbraw/zinc/37/59/08/1378375908.db2.gz GUWUVHGIOYVDQS-QGZVFWFLSA-N 2 2 334.460 3.183 20 0 EGADLP CN(Cc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001143035278 1378530753 /nfs/dbraw/zinc/53/07/53/1378530753.db2.gz JBPVLQXKXUUZHB-FQEVSTJZSA-N 2 2 334.467 3.431 20 0 EGADLP CN(Cc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001143035278 1378530756 /nfs/dbraw/zinc/53/07/56/1378530756.db2.gz JBPVLQXKXUUZHB-FQEVSTJZSA-N 2 2 334.467 3.431 20 0 EGADLP COc1cc(C)cc(OC)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001143146747 1378547436 /nfs/dbraw/zinc/54/74/36/1378547436.db2.gz BAXVHOOPDFKESA-UHFFFAOYSA-N 2 2 341.455 3.038 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c(Cl)cccc1C(F)(F)F ZINC001143288409 1378575908 /nfs/dbraw/zinc/57/59/08/1378575908.db2.gz HMBQXGOLECIXGN-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c(Cl)cccc1C(F)(F)F ZINC001143288409 1378575914 /nfs/dbraw/zinc/57/59/14/1378575914.db2.gz HMBQXGOLECIXGN-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc(OC(F)(F)F)c1 ZINC001143471032 1378600107 /nfs/dbraw/zinc/60/01/07/1378600107.db2.gz FDGLYWMRBZYYRW-GDBMZVCRSA-N 2 2 328.378 3.277 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc(OC(F)(F)F)c1 ZINC001143471032 1378600109 /nfs/dbraw/zinc/60/01/09/1378600109.db2.gz FDGLYWMRBZYYRW-GDBMZVCRSA-N 2 2 328.378 3.277 20 0 EGADLP Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001143587797 1378621735 /nfs/dbraw/zinc/62/17/35/1378621735.db2.gz OXVVRSYJWJXYEY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001143587797 1378621737 /nfs/dbraw/zinc/62/17/37/1378621737.db2.gz OXVVRSYJWJXYEY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001143587797 1378621740 /nfs/dbraw/zinc/62/17/40/1378621740.db2.gz OXVVRSYJWJXYEY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001143587797 1378621742 /nfs/dbraw/zinc/62/17/42/1378621742.db2.gz OXVVRSYJWJXYEY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(Br)cnc12 ZINC001144706933 1378761789 /nfs/dbraw/zinc/76/17/89/1378761789.db2.gz SRSYZPRFCSNTOE-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2cc(Br)cnc12 ZINC001144706933 1378761792 /nfs/dbraw/zinc/76/17/92/1378761792.db2.gz SRSYZPRFCSNTOE-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP Cc1ccc(C[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c(C)c1 ZINC001146473798 1378846398 /nfs/dbraw/zinc/84/63/98/1378846398.db2.gz HWAVFYQMAOYTNZ-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358101 1379156495 /nfs/dbraw/zinc/15/64/95/1379156495.db2.gz UCOJSNYPEABVPE-OOFWQKGWSA-N 2 2 344.503 3.115 20 0 EGADLP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358101 1379156496 /nfs/dbraw/zinc/15/64/96/1379156496.db2.gz UCOJSNYPEABVPE-OOFWQKGWSA-N 2 2 344.503 3.115 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362242 1380064430 /nfs/dbraw/zinc/06/44/30/1380064430.db2.gz MBDJRTSFZWKNFW-XITLMJRVSA-N 2 2 342.487 3.439 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362242 1380064433 /nfs/dbraw/zinc/06/44/33/1380064433.db2.gz MBDJRTSFZWKNFW-XITLMJRVSA-N 2 2 342.487 3.439 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153477006 1380083635 /nfs/dbraw/zinc/08/36/35/1380083635.db2.gz DBOQLQFIRJLOPV-QGZVFWFLSA-N 2 2 348.535 3.025 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153477006 1380083637 /nfs/dbraw/zinc/08/36/37/1380083637.db2.gz DBOQLQFIRJLOPV-QGZVFWFLSA-N 2 2 348.535 3.025 20 0 EGADLP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153929855 1380156923 /nfs/dbraw/zinc/15/69/23/1380156923.db2.gz AGXIBBXIZOAAFR-MSOLQXFVSA-N 2 2 334.508 3.263 20 0 EGADLP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153929855 1380156924 /nfs/dbraw/zinc/15/69/24/1380156924.db2.gz AGXIBBXIZOAAFR-MSOLQXFVSA-N 2 2 334.508 3.263 20 0 EGADLP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930163 1380157009 /nfs/dbraw/zinc/15/70/09/1380157009.db2.gz IDDRZSJKTFLIOR-SJLPKXTDSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930163 1380157010 /nfs/dbraw/zinc/15/70/10/1380157010.db2.gz IDDRZSJKTFLIOR-SJLPKXTDSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422532 1380274901 /nfs/dbraw/zinc/27/49/01/1380274901.db2.gz RQQCCDIMBJRYTJ-MRXNPFEDSA-N 2 2 336.524 3.006 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422532 1380274902 /nfs/dbraw/zinc/27/49/02/1380274902.db2.gz RQQCCDIMBJRYTJ-MRXNPFEDSA-N 2 2 336.524 3.006 20 0 EGADLP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155174689 1380419751 /nfs/dbraw/zinc/41/97/51/1380419751.db2.gz IUMWJVUFMRFAPY-NVXWUHKLSA-N 2 2 344.503 3.157 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155174689 1380419752 /nfs/dbraw/zinc/41/97/52/1380419752.db2.gz IUMWJVUFMRFAPY-NVXWUHKLSA-N 2 2 344.503 3.157 20 0 EGADLP CO[C@H](C[NH+]1CCN(c2cc(C)cc(C)[nH+]2)CC1)c1ccccc1 ZINC001155705665 1380485432 /nfs/dbraw/zinc/48/54/32/1380485432.db2.gz JYBJBMQPRVRGSC-LJQANCHMSA-N 2 2 325.456 3.208 20 0 EGADLP Cc1[nH+]ccn1CCNc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001156007550 1380512772 /nfs/dbraw/zinc/51/27/72/1380512772.db2.gz RHPTXNYQAIQQAD-UHFFFAOYSA-N 2 2 347.466 3.257 20 0 EGADLP Cc1[nH+]ccn1CCNc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001156007550 1380512773 /nfs/dbraw/zinc/51/27/73/1380512773.db2.gz RHPTXNYQAIQQAD-UHFFFAOYSA-N 2 2 347.466 3.257 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533982 1381284878 /nfs/dbraw/zinc/28/48/78/1381284878.db2.gz PKNVNORLEJSVJP-QZTJIDSGSA-N 2 2 334.508 3.337 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158533982 1381284885 /nfs/dbraw/zinc/28/48/85/1381284885.db2.gz PKNVNORLEJSVJP-QZTJIDSGSA-N 2 2 334.508 3.337 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571568 1381303859 /nfs/dbraw/zinc/30/38/59/1381303859.db2.gz QCELHDXLUSJAJL-QFBILLFUSA-N 2 2 348.535 3.337 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571568 1381303864 /nfs/dbraw/zinc/30/38/64/1381303864.db2.gz QCELHDXLUSJAJL-QFBILLFUSA-N 2 2 348.535 3.337 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571568 1381303869 /nfs/dbraw/zinc/30/38/69/1381303869.db2.gz QCELHDXLUSJAJL-QFBILLFUSA-N 2 2 348.535 3.337 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571568 1381303883 /nfs/dbraw/zinc/30/38/83/1381303883.db2.gz QCELHDXLUSJAJL-QFBILLFUSA-N 2 2 348.535 3.337 20 0 EGADLP CCOC(=O)c1c2c(sc1Nc1ccc3[nH]c[nH+]c3c1)C[NH2+]CC2 ZINC001159208092 1381731024 /nfs/dbraw/zinc/73/10/24/1381731024.db2.gz CDABZZYJVBBFNS-UHFFFAOYSA-N 2 2 342.424 3.190 20 0 EGADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3cc(Cl)ccc32)O1 ZINC001159240445 1381740799 /nfs/dbraw/zinc/74/07/99/1381740799.db2.gz QGKQBFIPPOPSRH-INMHGKMJSA-N 2 2 335.835 3.025 20 0 EGADLP [NH3+][C@@H]1CCN(c2ccc(Nc3ccc([NH+]4CCCCC4)cc3)cn2)C1 ZINC001159323260 1381761770 /nfs/dbraw/zinc/76/17/70/1381761770.db2.gz IWFBNJCCSNFGGX-MRXNPFEDSA-N 2 2 337.471 3.353 20 0 EGADLP CCc1cc(OC)ccc1N(CC1CC[NH2+]CC1)c1[nH+]cccc1N ZINC001159333328 1381767080 /nfs/dbraw/zinc/76/70/80/1381767080.db2.gz DABGYCOELXPSEW-UHFFFAOYSA-N 2 2 340.471 3.373 20 0 EGADLP c1cn(-c2ccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC001159430215 1381792020 /nfs/dbraw/zinc/79/20/20/1381792020.db2.gz ONNGYDAIKWJWGL-UHFFFAOYSA-N 2 2 333.439 3.021 20 0 EGADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc[nH+]c(N4CCCCC4)n3)c2C1 ZINC001159947264 1381946187 /nfs/dbraw/zinc/94/61/87/1381946187.db2.gz BYVNNSJXTFQRFE-HNNXBMFYSA-N 2 2 347.466 3.227 20 0 EGADLP COc1cc(N(c2cccc(F)c2N)C2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001160065127 1381987172 /nfs/dbraw/zinc/98/71/72/1381987172.db2.gz BBUGCXLCWWXKFN-UHFFFAOYSA-N 2 2 330.407 3.010 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1Cl ZINC001160336841 1382076719 /nfs/dbraw/zinc/07/67/19/1382076719.db2.gz NJZNHONXJMNWHR-BPLDGKMQSA-N 2 2 346.862 3.024 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1Cl ZINC001160336841 1382076722 /nfs/dbraw/zinc/07/67/22/1382076722.db2.gz NJZNHONXJMNWHR-BPLDGKMQSA-N 2 2 346.862 3.024 20 0 EGADLP Cc1ccc(Nc2c[nH+]cc(C)c2C)c(C(=O)NC2CC[NH2+]CC2)c1 ZINC001160368593 1382084430 /nfs/dbraw/zinc/08/44/30/1382084430.db2.gz XPYWLFODGBCXNU-UHFFFAOYSA-N 2 2 338.455 3.232 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431449 1382102515 /nfs/dbraw/zinc/10/25/15/1382102515.db2.gz WPOVUHJCHQKKOE-GRFNRIFCSA-N 2 2 342.487 3.008 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431449 1382102517 /nfs/dbraw/zinc/10/25/17/1382102517.db2.gz WPOVUHJCHQKKOE-GRFNRIFCSA-N 2 2 342.487 3.008 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431449 1382102522 /nfs/dbraw/zinc/10/25/22/1382102522.db2.gz WPOVUHJCHQKKOE-GRFNRIFCSA-N 2 2 342.487 3.008 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431449 1382102524 /nfs/dbraw/zinc/10/25/24/1382102524.db2.gz WPOVUHJCHQKKOE-GRFNRIFCSA-N 2 2 342.487 3.008 20 0 EGADLP CC(C)C[C@@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)c1ccccn1 ZINC001160485835 1382120034 /nfs/dbraw/zinc/12/00/34/1382120034.db2.gz HYVOWSWRVMEAMN-GOSISDBHSA-N 2 2 339.487 3.428 20 0 EGADLP CCCN(CCC)c1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]cn1 ZINC001160738519 1382183061 /nfs/dbraw/zinc/18/30/61/1382183061.db2.gz KKYDGHQVMDFBLY-CHWSQXEVSA-N 2 2 345.413 3.055 20 0 EGADLP CCCN(CCC)c1cc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc[nH+]1 ZINC001160738519 1382183068 /nfs/dbraw/zinc/18/30/68/1382183068.db2.gz KKYDGHQVMDFBLY-CHWSQXEVSA-N 2 2 345.413 3.055 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001160844382 1382214268 /nfs/dbraw/zinc/21/42/68/1382214268.db2.gz AVGSDNMHYJIFOJ-UHFFFAOYSA-N 2 2 347.503 3.089 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434859 1382410055 /nfs/dbraw/zinc/41/00/55/1382410055.db2.gz YTWRDTNVGPSVOB-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434859 1382410056 /nfs/dbraw/zinc/41/00/56/1382410056.db2.gz YTWRDTNVGPSVOB-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434859 1382410058 /nfs/dbraw/zinc/41/00/58/1382410058.db2.gz YTWRDTNVGPSVOB-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434859 1382410060 /nfs/dbraw/zinc/41/00/60/1382410060.db2.gz YTWRDTNVGPSVOB-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP COc1cc[nH+]c(C(C)(C)CNc2ccc(C[N@H+](C)C3CC3)cn2)c1 ZINC001162130480 1382635094 /nfs/dbraw/zinc/63/50/94/1382635094.db2.gz BFYBUSMWAFJDNC-UHFFFAOYSA-N 2 2 340.471 3.469 20 0 EGADLP COc1cc[nH+]c(C(C)(C)CNc2ccc(C[N@@H+](C)C3CC3)cn2)c1 ZINC001162130480 1382635097 /nfs/dbraw/zinc/63/50/97/1382635097.db2.gz BFYBUSMWAFJDNC-UHFFFAOYSA-N 2 2 340.471 3.469 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001162457146 1382762040 /nfs/dbraw/zinc/76/20/40/1382762040.db2.gz MYRUGSDKLXKUTR-MNOVXSKESA-N 2 2 337.265 3.373 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001162457146 1382762042 /nfs/dbraw/zinc/76/20/42/1382762042.db2.gz MYRUGSDKLXKUTR-MNOVXSKESA-N 2 2 337.265 3.373 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1c(Br)ccc2[nH+]ccn21 ZINC001162471986 1382767981 /nfs/dbraw/zinc/76/79/81/1382767981.db2.gz SCUKZNLOYSVXRN-NWDGAFQWSA-N 2 2 337.265 3.144 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C[C@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001162910301 1382913404 /nfs/dbraw/zinc/91/34/04/1382913404.db2.gz KBFVUFQHOGEQGK-HNNXBMFYSA-N 2 2 339.430 3.152 20 0 EGADLP Cc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc(-c2ccccc2)[nH+]1 ZINC001163050229 1382954187 /nfs/dbraw/zinc/95/41/87/1382954187.db2.gz OYIAIXBITCGHSF-KRWDZBQOSA-N 2 2 347.466 3.475 20 0 EGADLP COc1cccc2c(NCC[C@@H]3C[NH2+]Cc4cccn4C3)cc[nH+]c12 ZINC001163062629 1382958760 /nfs/dbraw/zinc/95/87/60/1382958760.db2.gz AEJUEIYTJSXVPO-OAHLLOKOSA-N 2 2 336.439 3.267 20 0 EGADLP CSc1cc[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163882451 1383132348 /nfs/dbraw/zinc/13/23/48/1383132348.db2.gz DPCIUBBVHMMSMV-UHFFFAOYSA-N 2 2 335.517 3.132 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](C1CCN(c3nc(NC4CC4)cc[nH+]3)CC1)C2 ZINC001165147812 1383237370 /nfs/dbraw/zinc/23/73/70/1383237370.db2.gz KFWCKYWJTDFTJH-UHFFFAOYSA-N 2 2 349.482 3.078 20 0 EGADLP c1ccc2c(c1)CC[N@H+](C1CCN(c3nc(NC4CC4)cc[nH+]3)CC1)C2 ZINC001165147812 1383237374 /nfs/dbraw/zinc/23/73/74/1383237374.db2.gz KFWCKYWJTDFTJH-UHFFFAOYSA-N 2 2 349.482 3.078 20 0 EGADLP COc1cc[nH+]c(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001165184334 1383243825 /nfs/dbraw/zinc/24/38/25/1383243825.db2.gz WNPZPUGVQOPMTE-QFBILLFUSA-N 2 2 325.456 3.437 20 0 EGADLP COc1cc[nH+]c(N(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001165184334 1383243827 /nfs/dbraw/zinc/24/38/27/1383243827.db2.gz WNPZPUGVQOPMTE-QFBILLFUSA-N 2 2 325.456 3.437 20 0 EGADLP O=C(NCCC1(C[NH2+]Cc2ccccc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001165749416 1383338030 /nfs/dbraw/zinc/33/80/30/1383338030.db2.gz BMMCGEKWGDFEGU-UHFFFAOYSA-N 2 2 348.450 3.253 20 0 EGADLP CC1(C)CCC(C[NH2+]CCCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001166408204 1383419226 /nfs/dbraw/zinc/41/92/26/1383419226.db2.gz LIINUVCEQHLJQQ-MRXNPFEDSA-N 2 2 346.519 3.142 20 0 EGADLP C[C@@H](CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001167348764 1383606654 /nfs/dbraw/zinc/60/66/54/1383606654.db2.gz UIGRVVCNJARLPC-KRWDZBQOSA-N 2 2 344.503 3.211 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+]CCC1CCCCCC1)n1cc[nH+]c1 ZINC001167427790 1383630983 /nfs/dbraw/zinc/63/09/83/1383630983.db2.gz AGGUXQYBHLRRQL-QGZVFWFLSA-N 2 2 334.508 3.291 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001167429328 1383632217 /nfs/dbraw/zinc/63/22/17/1383632217.db2.gz RVFOVTBJMANNJI-CRAIPNDOSA-N 2 2 346.450 3.221 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001167977830 1383784872 /nfs/dbraw/zinc/78/48/72/1383784872.db2.gz KEXWHZOUIVTKSC-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001167977830 1383784882 /nfs/dbraw/zinc/78/48/82/1383784882.db2.gz KEXWHZOUIVTKSC-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168060713 1383806829 /nfs/dbraw/zinc/80/68/29/1383806829.db2.gz XXWSVLOUJXOLIL-HVYFLLBWSA-N 2 2 341.543 3.312 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168060713 1383806837 /nfs/dbraw/zinc/80/68/37/1383806837.db2.gz XXWSVLOUJXOLIL-HVYFLLBWSA-N 3 2 341.543 3.312 20 0 EGADLP C[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168060713 1383806840 /nfs/dbraw/zinc/80/68/40/1383806840.db2.gz XXWSVLOUJXOLIL-HVYFLLBWSA-N 2 2 341.543 3.312 20 0 EGADLP C[C@@H]1C[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168060713 1383806844 /nfs/dbraw/zinc/80/68/44/1383806844.db2.gz XXWSVLOUJXOLIL-HVYFLLBWSA-N 2 2 341.543 3.312 20 0 EGADLP CCC/C=C\CC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363904 1383884735 /nfs/dbraw/zinc/88/47/35/1383884735.db2.gz WOHMUXIOUOVHQO-WAYWQWQTSA-N 2 2 342.487 3.028 20 0 EGADLP COc1cccc(OCC[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001307568787 1384003017 /nfs/dbraw/zinc/00/30/17/1384003017.db2.gz NPHZXONJWZKJSZ-QGZVFWFLSA-N 2 2 341.455 3.354 20 0 EGADLP COc1cccc(OCC[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001307568787 1384003024 /nfs/dbraw/zinc/00/30/24/1384003024.db2.gz NPHZXONJWZKJSZ-QGZVFWFLSA-N 2 2 341.455 3.354 20 0 EGADLP CC[NH+](CC)C1CC[NH+]([C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168862555 1384037467 /nfs/dbraw/zinc/03/74/67/1384037467.db2.gz FRERZXXTAMEPGV-DOTOQJQBSA-N 2 2 339.524 3.191 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001308176478 1384105845 /nfs/dbraw/zinc/10/58/45/1384105845.db2.gz KAUPUVFVFJMOEW-KRWDZBQOSA-N 2 2 344.421 3.460 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001308176478 1384105847 /nfs/dbraw/zinc/10/58/47/1384105847.db2.gz KAUPUVFVFJMOEW-KRWDZBQOSA-N 2 2 344.421 3.460 20 0 EGADLP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169097862 1384106728 /nfs/dbraw/zinc/10/67/28/1384106728.db2.gz CVKOZEUPBSLOBX-XYYAHUGASA-N 2 2 328.378 3.429 20 0 EGADLP COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169097862 1384106730 /nfs/dbraw/zinc/10/67/30/1384106730.db2.gz CVKOZEUPBSLOBX-XYYAHUGASA-N 2 2 328.378 3.429 20 0 EGADLP Cc1ccccc1C(=O)N1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC001308195869 1384108370 /nfs/dbraw/zinc/10/83/70/1384108370.db2.gz BNWFUDTXNAEORA-UHFFFAOYSA-N 2 2 343.515 3.065 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109126 1384108409 /nfs/dbraw/zinc/10/84/09/1384108409.db2.gz HUEXHKFTWZDAHU-MZADTFQBSA-N 2 2 345.506 3.313 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109126 1384108410 /nfs/dbraw/zinc/10/84/10/1384108410.db2.gz HUEXHKFTWZDAHU-MZADTFQBSA-N 2 2 345.506 3.313 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3nsc4ccccc43)CC1)C2 ZINC001169131797 1384110928 /nfs/dbraw/zinc/11/09/28/1384110928.db2.gz ZLPMOMSVNZUICJ-ZSHCYNCHSA-N 2 2 342.512 3.044 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3nsc4ccccc43)CC1)C2 ZINC001169131797 1384110930 /nfs/dbraw/zinc/11/09/30/1384110930.db2.gz ZLPMOMSVNZUICJ-ZSHCYNCHSA-N 2 2 342.512 3.044 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001169154949 1384116410 /nfs/dbraw/zinc/11/64/10/1384116410.db2.gz VBZMTZBXBPAPRW-BJWYYQGGSA-N 2 2 330.447 3.346 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001169154949 1384116411 /nfs/dbraw/zinc/11/64/11/1384116411.db2.gz VBZMTZBXBPAPRW-BJWYYQGGSA-N 2 2 330.447 3.346 20 0 EGADLP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169153543 1384116415 /nfs/dbraw/zinc/11/64/15/1384116415.db2.gz KSIJTBILPHPWJA-YRXWBPOGSA-N 2 2 334.504 3.057 20 0 EGADLP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169153543 1384116416 /nfs/dbraw/zinc/11/64/16/1384116416.db2.gz KSIJTBILPHPWJA-YRXWBPOGSA-N 2 2 334.504 3.057 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249361 1384127477 /nfs/dbraw/zinc/12/74/77/1384127477.db2.gz HQXVAOYAWINJSY-HXUWFJFHSA-N 3 2 345.531 3.440 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001169249361 1384127480 /nfs/dbraw/zinc/12/74/80/1384127480.db2.gz HQXVAOYAWINJSY-HXUWFJFHSA-N 3 2 345.531 3.440 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCCOCC2)CC3)cs1 ZINC001170810214 1384390460 /nfs/dbraw/zinc/39/04/60/1384390460.db2.gz AEGANPALXZREPX-GOSISDBHSA-N 2 2 349.544 3.451 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCCOCC2)CC3)cs1 ZINC001170810214 1384390464 /nfs/dbraw/zinc/39/04/64/1384390464.db2.gz AEGANPALXZREPX-GOSISDBHSA-N 2 2 349.544 3.451 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC001313445815 1384424685 /nfs/dbraw/zinc/42/46/85/1384424685.db2.gz LRHDXBHHGVQBPU-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(Cn4cc[nH+]c4)cn3)c2c1 ZINC001171165496 1384458493 /nfs/dbraw/zinc/45/84/93/1384458493.db2.gz IWUWJMZADUDIFH-INIZCTEOSA-N 2 2 345.450 3.468 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171603922 1384576779 /nfs/dbraw/zinc/57/67/79/1384576779.db2.gz DVUBHKDDGMETJX-FUHWJXTLSA-N 2 2 348.535 3.146 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171606043 1384577794 /nfs/dbraw/zinc/57/77/94/1384577794.db2.gz SXAZPEWGWAMWGC-JTDRTSHGSA-N 2 2 346.519 3.066 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1(C)C ZINC001171626280 1384584530 /nfs/dbraw/zinc/58/45/30/1384584530.db2.gz WNUURIXISSAOKY-UHFFFAOYSA-N 4 2 340.600 3.113 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171731394 1384617452 /nfs/dbraw/zinc/61/74/52/1384617452.db2.gz AINPHKQRZLKPOK-BWUHRYBWSA-N 2 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171731394 1384617455 /nfs/dbraw/zinc/61/74/55/1384617455.db2.gz AINPHKQRZLKPOK-BWUHRYBWSA-N 2 2 327.516 3.254 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171778640 1384632815 /nfs/dbraw/zinc/63/28/15/1384632815.db2.gz DZNWRYOVDLKNDZ-MRXNPFEDSA-N 2 2 328.460 3.179 20 0 EGADLP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942002 1384690171 /nfs/dbraw/zinc/69/01/71/1384690171.db2.gz GCIMVKHXBGQZPT-MRXNPFEDSA-N 2 2 328.460 3.159 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172060914 1384714129 /nfs/dbraw/zinc/71/41/29/1384714129.db2.gz DLYSKDMMCNQGEJ-WKCHPHFGSA-N 3 2 338.499 3.367 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060914 1384714132 /nfs/dbraw/zinc/71/41/32/1384714132.db2.gz DLYSKDMMCNQGEJ-WKCHPHFGSA-N 3 2 338.499 3.367 20 0 EGADLP c1cn(CCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001172068019 1384715996 /nfs/dbraw/zinc/71/59/96/1384715996.db2.gz PMPAKKPJHYGKOB-WKCHPHFGSA-N 3 2 338.499 3.449 20 0 EGADLP c1cn(CCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001172068019 1384716002 /nfs/dbraw/zinc/71/60/02/1384716002.db2.gz PMPAKKPJHYGKOB-WKCHPHFGSA-N 3 2 338.499 3.449 20 0 EGADLP CC1([NH3+])CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066619 1384716760 /nfs/dbraw/zinc/71/67/60/1384716760.db2.gz ATWNBECGZFVYGQ-PMOLBWCYSA-N 3 2 327.516 3.385 20 0 EGADLP CC1([NH3+])CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066619 1384716761 /nfs/dbraw/zinc/71/67/61/1384716761.db2.gz ATWNBECGZFVYGQ-PMOLBWCYSA-N 3 2 327.516 3.385 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nc(Br)cs1)C2 ZINC001172108941 1384728670 /nfs/dbraw/zinc/72/86/70/1384728670.db2.gz AKBKGGDFCUDNDS-RTCCRHLQSA-N 2 2 330.295 3.011 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1nc(Br)cs1)C2 ZINC001172108941 1384728673 /nfs/dbraw/zinc/72/86/73/1384728673.db2.gz AKBKGGDFCUDNDS-RTCCRHLQSA-N 2 2 330.295 3.011 20 0 EGADLP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC001172126822 1384735941 /nfs/dbraw/zinc/73/59/41/1384735941.db2.gz YKMAZGDDFJRWCY-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP Cc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC001172126822 1384735943 /nfs/dbraw/zinc/73/59/43/1384735943.db2.gz YKMAZGDDFJRWCY-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP CCC(CC)C[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317011520 1384775620 /nfs/dbraw/zinc/77/56/20/1384775620.db2.gz BITNXARRQYRFQU-SFHVURJKSA-N 2 2 342.487 3.177 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001172452106 1384795305 /nfs/dbraw/zinc/79/53/05/1384795305.db2.gz XDBXMMGTZCGVCY-SFHVURJKSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001172452106 1384795309 /nfs/dbraw/zinc/79/53/09/1384795309.db2.gz XDBXMMGTZCGVCY-SFHVURJKSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452723 1384795381 /nfs/dbraw/zinc/79/53/81/1384795381.db2.gz UXVFOIMKCQFHEM-BBWFWOEESA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452723 1384795385 /nfs/dbraw/zinc/79/53/85/1384795385.db2.gz UXVFOIMKCQFHEM-BBWFWOEESA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172452723 1384795388 /nfs/dbraw/zinc/79/53/88/1384795388.db2.gz UXVFOIMKCQFHEM-BBWFWOEESA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172452723 1384795390 /nfs/dbraw/zinc/79/53/90/1384795390.db2.gz UXVFOIMKCQFHEM-BBWFWOEESA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001172452105 1384795565 /nfs/dbraw/zinc/79/55/65/1384795565.db2.gz XDBXMMGTZCGVCY-GOSISDBHSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001172452105 1384795567 /nfs/dbraw/zinc/79/55/67/1384795567.db2.gz XDBXMMGTZCGVCY-GOSISDBHSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)OCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001172451812 1384795574 /nfs/dbraw/zinc/79/55/74/1384795574.db2.gz NPGZCBWNJDRCJW-QZTJIDSGSA-N 2 2 347.503 3.003 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001172758353 1384845042 /nfs/dbraw/zinc/84/50/42/1384845042.db2.gz GNAAZJNCZCIDRS-OAHLLOKOSA-N 2 2 328.472 3.005 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001172774472 1384848845 /nfs/dbraw/zinc/84/88/45/1384848845.db2.gz BLIUXKCPMUWDHY-UFYCRDLUSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001172774472 1384848850 /nfs/dbraw/zinc/84/88/50/1384848850.db2.gz BLIUXKCPMUWDHY-UFYCRDLUSA-N 2 2 344.499 3.363 20 0 EGADLP C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001173065205 1384905528 /nfs/dbraw/zinc/90/55/28/1384905528.db2.gz JLFAJJLIBWQRHN-OWCLPIDISA-N 2 2 348.491 3.311 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349931 1385099638 /nfs/dbraw/zinc/09/96/38/1385099638.db2.gz INOQLKOQWINQDB-ZWKOTPCHSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349931 1385099643 /nfs/dbraw/zinc/09/96/43/1385099643.db2.gz INOQLKOQWINQDB-ZWKOTPCHSA-N 2 2 346.519 3.330 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174580200 1385122083 /nfs/dbraw/zinc/12/20/83/1385122083.db2.gz HTCLIBANGHFIIB-QGZVFWFLSA-N 2 2 332.492 3.038 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358780 1385265558 /nfs/dbraw/zinc/26/55/58/1385265558.db2.gz OZQMUKJDLOUXNL-RCCFBDPRSA-N 2 2 348.535 3.369 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463103 1385299343 /nfs/dbraw/zinc/29/93/43/1385299343.db2.gz XPRSGIIWRZZIEA-HUUCEWRRSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175637558 1385358959 /nfs/dbraw/zinc/35/89/59/1385358959.db2.gz BZQURBIBJPZVMV-HZPDHXFCSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175637558 1385358966 /nfs/dbraw/zinc/35/89/66/1385358966.db2.gz BZQURBIBJPZVMV-HZPDHXFCSA-N 2 2 348.535 3.289 20 0 EGADLP CCCc1cc[nH+]c(Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC001175807298 1385410881 /nfs/dbraw/zinc/41/08/81/1385410881.db2.gz ASLOWTXCIVRMSE-UHFFFAOYSA-N 2 2 326.444 3.069 20 0 EGADLP C[N@H+](C/C=C/Cl)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317876289 1385556398 /nfs/dbraw/zinc/55/63/98/1385556398.db2.gz DTVZQBRHEFMMOY-QHHAFSJGSA-N 2 2 346.862 3.099 20 0 EGADLP C[N@@H+](C/C=C/Cl)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317876289 1385556402 /nfs/dbraw/zinc/55/64/02/1385556402.db2.gz DTVZQBRHEFMMOY-QHHAFSJGSA-N 2 2 346.862 3.099 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCCC1 ZINC001176351223 1385560022 /nfs/dbraw/zinc/56/00/22/1385560022.db2.gz RATVLCNRTVXISK-INIZCTEOSA-N 2 2 348.535 3.496 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810465 1385710352 /nfs/dbraw/zinc/71/03/52/1385710352.db2.gz KXDIABGZVPUTTH-QGZVFWFLSA-N 2 2 336.524 3.364 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OC(C)C)nc1 ZINC001318540729 1385744512 /nfs/dbraw/zinc/74/45/12/1385744512.db2.gz FNKOLFDBZFRRPW-UHFFFAOYSA-N 2 2 337.383 3.010 20 0 EGADLP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318743452 1385850629 /nfs/dbraw/zinc/85/06/29/1385850629.db2.gz GLNFYJGISMMNKR-XOBRGWDASA-N 2 2 340.471 3.241 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC001318931037 1385885818 /nfs/dbraw/zinc/88/58/18/1385885818.db2.gz HKKBORBPSFKTTO-CQSZACIVSA-N 2 2 336.420 3.404 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001177371838 1385933264 /nfs/dbraw/zinc/93/32/64/1385933264.db2.gz KATINAZDZHFSHT-UHFFFAOYSA-N 2 2 348.535 3.151 20 0 EGADLP O=C(Cn1cc[nH+]c1)N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177493205 1385978890 /nfs/dbraw/zinc/97/88/90/1385978890.db2.gz SJQWZJUOVPVBSS-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc(OC2CCC2)c1 ZINC001319773886 1386291139 /nfs/dbraw/zinc/29/11/39/1386291139.db2.gz SFPCRWSDYPAZDB-UHFFFAOYSA-N 2 2 349.394 3.154 20 0 EGADLP O=C(NCCCCCC[NH2+]C/C=C/Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001178828733 1386320344 /nfs/dbraw/zinc/32/03/44/1386320344.db2.gz YYIPJTJQCZYOIU-FNORWQNLSA-N 2 2 334.851 3.195 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178866537 1386334248 /nfs/dbraw/zinc/33/42/48/1386334248.db2.gz XIBMTYSDKAHPES-SFHVURJKSA-N 2 2 348.535 3.292 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001178957115 1386359527 /nfs/dbraw/zinc/35/95/27/1386359527.db2.gz MYDHGZOKFPOTPR-YTQUADARSA-N 2 2 346.519 3.240 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179558338 1386514219 /nfs/dbraw/zinc/51/42/19/1386514219.db2.gz SBUCNEVDTBZBHT-INIZCTEOSA-N 2 2 334.508 3.286 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001179621630 1386534195 /nfs/dbraw/zinc/53/41/95/1386534195.db2.gz BPHWGSLYBUCJLF-LNLFQRSKSA-N 2 2 346.519 3.384 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1cccc(F)c1 ZINC001179693422 1386556975 /nfs/dbraw/zinc/55/69/75/1386556975.db2.gz ZTUTWDTYUVVHGF-HNNXBMFYSA-N 2 2 346.450 3.119 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902969 1386623078 /nfs/dbraw/zinc/62/30/78/1386623078.db2.gz VJXBWMFONMTLCE-QGZVFWFLSA-N 2 2 342.487 3.288 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276481 1386752852 /nfs/dbraw/zinc/75/28/52/1386752852.db2.gz UJXPYZOZNJORPH-JEVOJNTISA-N 2 2 346.519 3.069 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001321844094 1386995121 /nfs/dbraw/zinc/99/51/21/1386995121.db2.gz AOAWAKMGOLNZPR-GFCCVEGCSA-N 2 2 341.286 3.463 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001321844094 1386995127 /nfs/dbraw/zinc/99/51/27/1386995127.db2.gz AOAWAKMGOLNZPR-GFCCVEGCSA-N 2 2 341.286 3.463 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181646994 1387030329 /nfs/dbraw/zinc/03/03/29/1387030329.db2.gz RVMPCUACCXWAIK-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181646994 1387030334 /nfs/dbraw/zinc/03/03/34/1387030334.db2.gz RVMPCUACCXWAIK-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181679786 1387037925 /nfs/dbraw/zinc/03/79/25/1387037925.db2.gz KEKJJINZBLXZNJ-LDBCMITESA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181679786 1387037929 /nfs/dbraw/zinc/03/79/29/1387037929.db2.gz KEKJJINZBLXZNJ-LDBCMITESA-N 2 2 346.519 3.163 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182855989 1387235446 /nfs/dbraw/zinc/23/54/46/1387235446.db2.gz NQQSDTNQOIAHEU-CLOAYSBISA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182855989 1387235450 /nfs/dbraw/zinc/23/54/50/1387235450.db2.gz NQQSDTNQOIAHEU-CLOAYSBISA-N 2 2 346.519 3.019 20 0 EGADLP Cc1cc(CNC(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc(C)[nH+]1 ZINC001336911070 1389205622 /nfs/dbraw/zinc/20/56/22/1389205622.db2.gz YQBUSVGSTXUQFA-SFHVURJKSA-N 2 2 344.503 3.010 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2CN(c3nc4ccccc4n4c[nH+]cc34)C[C@H]2C1 ZINC001333874639 1390426599 /nfs/dbraw/zinc/42/65/99/1390426599.db2.gz BPPJRVJFIAHHOB-BZUAXINKSA-N 2 2 335.455 3.049 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)CCSCCC[NH3+])c2)[nH+]c1C ZINC001341569084 1390503798 /nfs/dbraw/zinc/50/37/98/1390503798.db2.gz GZTMKPIBNHNORK-UHFFFAOYSA-N 2 2 332.473 3.104 20 0 EGADLP CC(C)C[C@H]([NH3+])CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001341630613 1390511775 /nfs/dbraw/zinc/51/17/75/1390511775.db2.gz TZTZKAJOMIXXSN-KBPBESRZSA-N 2 2 338.521 3.077 20 0 EGADLP CC(C)C[C@H]([NH3+])CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001341630613 1390511778 /nfs/dbraw/zinc/51/17/78/1390511778.db2.gz TZTZKAJOMIXXSN-KBPBESRZSA-N 2 2 338.521 3.077 20 0 EGADLP CC(C)C[C@H]([NH3+])CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001341630614 1390511787 /nfs/dbraw/zinc/51/17/87/1390511787.db2.gz TZTZKAJOMIXXSN-KGLIPLIRSA-N 2 2 338.521 3.077 20 0 EGADLP CC(C)C[C@H]([NH3+])CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001341630614 1390511788 /nfs/dbraw/zinc/51/17/88/1390511788.db2.gz TZTZKAJOMIXXSN-KGLIPLIRSA-N 2 2 338.521 3.077 20 0 EGADLP C[N@H+](Cc1cccn1C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001344063037 1390753176 /nfs/dbraw/zinc/75/31/76/1390753176.db2.gz UBHZYWIQYSKAPC-UHFFFAOYSA-N 2 2 338.499 3.357 20 0 EGADLP C[N@@H+](Cc1cccn1C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001344063037 1390753177 /nfs/dbraw/zinc/75/31/77/1390753177.db2.gz UBHZYWIQYSKAPC-UHFFFAOYSA-N 2 2 338.499 3.357 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CC4CCC4)CCCC3)ccn12 ZINC001698798361 1406470353 /nfs/dbraw/zinc/47/03/53/1406470353.db2.gz OFVLAABSKAQCEM-UHFFFAOYSA-N 2 2 340.471 3.075 20 0 EGADLP CC(C)Oc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001353604136 1392048362 /nfs/dbraw/zinc/04/83/62/1392048362.db2.gz HECVOSIJVPFIMN-UHFFFAOYSA-N 2 2 332.488 3.207 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001480767288 1392921523 /nfs/dbraw/zinc/92/15/23/1392921523.db2.gz JGSHMTVVHSBKMZ-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001480767288 1392921525 /nfs/dbraw/zinc/92/15/25/1392921525.db2.gz JGSHMTVVHSBKMZ-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001481290767 1393159437 /nfs/dbraw/zinc/15/94/37/1393159437.db2.gz QHOXYPVYMUTSBR-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001481290767 1393159438 /nfs/dbraw/zinc/15/94/38/1393159438.db2.gz QHOXYPVYMUTSBR-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001490960289 1394384950 /nfs/dbraw/zinc/38/49/50/1394384950.db2.gz QFQCYTAHVZXRCP-NCXUSEDFSA-N 2 2 346.519 3.117 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482468497 1395023718 /nfs/dbraw/zinc/02/37/18/1395023718.db2.gz BCRUONZHAMMVAJ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482468497 1395023722 /nfs/dbraw/zinc/02/37/22/1395023722.db2.gz BCRUONZHAMMVAJ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001482498874 1395050933 /nfs/dbraw/zinc/05/09/33/1395050933.db2.gz NXYSMSXIRFVJJW-QFBILLFUSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001484759513 1395510998 /nfs/dbraw/zinc/51/09/98/1395510998.db2.gz GKQJQJMILSPRBM-IRXDYDNUSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001484759513 1395511000 /nfs/dbraw/zinc/51/10/00/1395511000.db2.gz GKQJQJMILSPRBM-IRXDYDNUSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001484759513 1395511006 /nfs/dbraw/zinc/51/10/06/1395511006.db2.gz GKQJQJMILSPRBM-IRXDYDNUSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001484759513 1395511014 /nfs/dbraw/zinc/51/10/14/1395511014.db2.gz GKQJQJMILSPRBM-IRXDYDNUSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001698992636 1406785100 /nfs/dbraw/zinc/78/51/00/1406785100.db2.gz CGLYHOMFZPEMGY-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001698992636 1406785104 /nfs/dbraw/zinc/78/51/04/1406785104.db2.gz CGLYHOMFZPEMGY-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001502714588 1396219095 /nfs/dbraw/zinc/21/90/95/1396219095.db2.gz BANBFCNSBJSKOV-KBXCAEBGSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001690196976 1404405899 /nfs/dbraw/zinc/40/58/99/1404405899.db2.gz DCAKMGUOLARMRJ-KRWDZBQOSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001690196976 1404405901 /nfs/dbraw/zinc/40/59/01/1404405901.db2.gz DCAKMGUOLARMRJ-KRWDZBQOSA-N 2 2 348.535 3.257 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001690652276 1404684054 /nfs/dbraw/zinc/68/40/54/1404684054.db2.gz PZQJHFMWLNIYQA-CABCVRRESA-N 2 2 348.878 3.172 20 0 EGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]Cc1ccc(F)cc1 ZINC001698607630 1406235847 /nfs/dbraw/zinc/23/58/47/1406235847.db2.gz KVZPFBGGJGJHCO-GOSISDBHSA-N 2 2 343.446 3.444 20 0 EGADLP CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001699146454 1412534847 /nfs/dbraw/zinc/53/48/47/1412534847.db2.gz DJGZPHCTXDUGFW-XJKSGUPXSA-N 2 2 348.878 3.241 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699207593 1412574411 /nfs/dbraw/zinc/57/44/11/1412574411.db2.gz TVQLMGDBOQQINU-HZPDHXFCSA-N 2 2 346.450 3.173 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001699773845 1413182492 /nfs/dbraw/zinc/18/24/92/1413182492.db2.gz AQPIUCBPLVHCCE-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCC1CCCCCC1 ZINC001700776519 1414456844 /nfs/dbraw/zinc/45/68/44/1414456844.db2.gz RTWCJQZALIFTLD-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001732593464 1428822122 /nfs/dbraw/zinc/82/21/22/1428822122.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001732593464 1428822125 /nfs/dbraw/zinc/82/21/25/1428822125.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001732593464 1428822131 /nfs/dbraw/zinc/82/21/31/1428822131.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001732593464 1428822133 /nfs/dbraw/zinc/82/21/33/1428822133.db2.gz ABLWJRUOOCYXFK-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001732784732 1428968477 /nfs/dbraw/zinc/96/84/77/1428968477.db2.gz BMOKIBSTXUZSBE-INIZCTEOSA-N 2 2 336.439 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001713137333 1417720689 /nfs/dbraw/zinc/72/06/89/1417720689.db2.gz YSQPWFIFEORADP-FUHWJXTLSA-N 2 2 348.535 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001713137333 1417720693 /nfs/dbraw/zinc/72/06/93/1417720693.db2.gz YSQPWFIFEORADP-FUHWJXTLSA-N 2 2 348.535 3.113 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713276614 1417897418 /nfs/dbraw/zinc/89/74/18/1417897418.db2.gz XVCGLCKDZKRPBS-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713276614 1417897422 /nfs/dbraw/zinc/89/74/22/1417897422.db2.gz XVCGLCKDZKRPBS-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]([NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC001713289434 1417916700 /nfs/dbraw/zinc/91/67/00/1417916700.db2.gz KSVZEXMYUZAGRW-IPJUCJBFSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H](C)c1ccccc1F ZINC001713319555 1417944624 /nfs/dbraw/zinc/94/46/24/1417944624.db2.gz COJASNNKVHBDBP-CHWSQXEVSA-N 2 2 340.402 3.171 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713462586 1418122004 /nfs/dbraw/zinc/12/20/04/1418122004.db2.gz WXUGFEXBZGKBFG-QGZVFWFLSA-N 2 2 342.487 3.216 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713462586 1418122013 /nfs/dbraw/zinc/12/20/13/1418122013.db2.gz WXUGFEXBZGKBFG-QGZVFWFLSA-N 2 2 342.487 3.216 20 0 EGADLP CCC(CC)C[NH2+]C[C@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001714167708 1418976575 /nfs/dbraw/zinc/97/65/75/1418976575.db2.gz XRQZRFRSDACADY-FQEVSTJZSA-N 2 2 342.487 3.487 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553832 1419281374 /nfs/dbraw/zinc/28/13/74/1419281374.db2.gz YVVTWNSATPZHRU-SJORKVTESA-N 2 2 342.487 3.212 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553832 1419281377 /nfs/dbraw/zinc/28/13/77/1419281377.db2.gz YVVTWNSATPZHRU-SJORKVTESA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001714641304 1419413556 /nfs/dbraw/zinc/41/35/56/1419413556.db2.gz VEWNYGUASBASKD-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001714641304 1419413557 /nfs/dbraw/zinc/41/35/57/1419413557.db2.gz VEWNYGUASBASKD-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715388281 1420085430 /nfs/dbraw/zinc/08/54/30/1420085430.db2.gz AGWBSNXVIFHHSM-SJLPKXTDSA-N 2 2 342.487 3.142 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001716146376 1420541496 /nfs/dbraw/zinc/54/14/96/1420541496.db2.gz ZSAJPUYEIUZBHX-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001716146376 1420541497 /nfs/dbraw/zinc/54/14/97/1420541497.db2.gz ZSAJPUYEIUZBHX-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCc2ccccc2)c(C)[nH+]1 ZINC001716488298 1420708183 /nfs/dbraw/zinc/70/81/83/1420708183.db2.gz KDACPAKREKUPCV-KRWDZBQOSA-N 2 2 339.483 3.300 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCc2ccccc2)c(C)[nH+]1 ZINC001716488298 1420708186 /nfs/dbraw/zinc/70/81/86/1420708186.db2.gz KDACPAKREKUPCV-KRWDZBQOSA-N 2 2 339.483 3.300 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC(C)C ZINC001716828768 1420954810 /nfs/dbraw/zinc/95/48/10/1420954810.db2.gz BUYSTYUUUMIXEX-NXHRZFHOSA-N 2 2 346.519 3.008 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC(C)C ZINC001716828768 1420954812 /nfs/dbraw/zinc/95/48/12/1420954812.db2.gz BUYSTYUUUMIXEX-NXHRZFHOSA-N 2 2 346.519 3.008 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001716971564 1421057503 /nfs/dbraw/zinc/05/75/03/1421057503.db2.gz OXWNJSCRMOUBCC-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC(C)(C)C ZINC001717339059 1421276837 /nfs/dbraw/zinc/27/68/37/1421276837.db2.gz KUUFIMSXTAEZFJ-ROUUACIJSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC(C)(C)C ZINC001717339059 1421276838 /nfs/dbraw/zinc/27/68/38/1421276838.db2.gz KUUFIMSXTAEZFJ-ROUUACIJSA-N 2 2 348.535 3.459 20 0 EGADLP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001724748212 1425117653 /nfs/dbraw/zinc/11/76/53/1425117653.db2.gz UCXQJPATCOGZFQ-INIZCTEOSA-N 2 2 328.460 3.039 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001725590263 1426245696 /nfs/dbraw/zinc/24/56/96/1426245696.db2.gz KNWLVMOUTAFKTR-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001731415290 1427384745 /nfs/dbraw/zinc/38/47/45/1427384745.db2.gz VJAMHLAKGXYLLY-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001731415290 1427384750 /nfs/dbraw/zinc/38/47/50/1427384750.db2.gz VJAMHLAKGXYLLY-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001731415290 1427384755 /nfs/dbraw/zinc/38/47/55/1427384755.db2.gz VJAMHLAKGXYLLY-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001731415290 1427384758 /nfs/dbraw/zinc/38/47/58/1427384758.db2.gz VJAMHLAKGXYLLY-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731646589 1427704172 /nfs/dbraw/zinc/70/41/72/1427704172.db2.gz LVFFTRSVXDZQAJ-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1cccc(Cl)c1 ZINC001731804082 1427971649 /nfs/dbraw/zinc/97/16/49/1427971649.db2.gz AHXZTSZTXPLIRX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1cccc(Cl)c1 ZINC001731804082 1427971655 /nfs/dbraw/zinc/97/16/55/1427971655.db2.gz AHXZTSZTXPLIRX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@H](C)c1cccc(Cl)c1 ZINC001731804082 1427971658 /nfs/dbraw/zinc/97/16/58/1427971658.db2.gz AHXZTSZTXPLIRX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@H](C)c1cccc(Cl)c1 ZINC001731804082 1427971666 /nfs/dbraw/zinc/97/16/66/1427971666.db2.gz AHXZTSZTXPLIRX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@H]([NH2+]CCF)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001733682790 1429896444 /nfs/dbraw/zinc/89/64/44/1429896444.db2.gz WLPDAKTYPCZWGG-ZDUSSCGKSA-N 2 2 340.402 3.113 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001733690130 1429906888 /nfs/dbraw/zinc/90/68/88/1429906888.db2.gz NHBQERXZJJPRLA-MHORFTMASA-N 2 2 334.508 3.145 20 0 EGADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)CCC1CCCCCC1 ZINC001734046652 1437835739 /nfs/dbraw/zinc/83/57/39/1437835739.db2.gz GNYPJFDFECAYPA-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)CCC1CCCCCC1 ZINC001734046652 1437835740 /nfs/dbraw/zinc/83/57/40/1437835740.db2.gz GNYPJFDFECAYPA-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CC1 ZINC001734077547 1437865453 /nfs/dbraw/zinc/86/54/53/1437865453.db2.gz DNJUNDVYNMHIAK-QGZVFWFLSA-N 2 2 342.487 3.211 20 0 EGADLP CCCC[C@H](C[NH2+]CC1CC(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001734098628 1437882886 /nfs/dbraw/zinc/88/28/86/1437882886.db2.gz YZIPNZBZRKXJEE-OFLPRAFFSA-N 2 2 342.487 3.259 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001734335155 1438057633 /nfs/dbraw/zinc/05/76/33/1438057633.db2.gz UXTWPBSVHLHPNF-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507913 1440189715 /nfs/dbraw/zinc/18/97/15/1440189715.db2.gz IQPAHFDCWZYYIV-MSOLQXFVSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507913 1440189716 /nfs/dbraw/zinc/18/97/16/1440189716.db2.gz IQPAHFDCWZYYIV-MSOLQXFVSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507913 1440189717 /nfs/dbraw/zinc/18/97/17/1440189717.db2.gz IQPAHFDCWZYYIV-MSOLQXFVSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507913 1440189718 /nfs/dbraw/zinc/18/97/18/1440189718.db2.gz IQPAHFDCWZYYIV-MSOLQXFVSA-N 2 2 348.535 3.195 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752993003 1440260403 /nfs/dbraw/zinc/26/04/03/1440260403.db2.gz YCRMDCPSJAEVCL-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752993003 1440260404 /nfs/dbraw/zinc/26/04/04/1440260404.db2.gz YCRMDCPSJAEVCL-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752993003 1440260405 /nfs/dbraw/zinc/26/04/05/1440260405.db2.gz YCRMDCPSJAEVCL-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752993003 1440260406 /nfs/dbraw/zinc/26/04/06/1440260406.db2.gz YCRMDCPSJAEVCL-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030601 1440272788 /nfs/dbraw/zinc/27/27/88/1440272788.db2.gz AHQHMGQTAHYZKY-DLBZAZTESA-N 2 2 342.487 3.355 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030601 1440272789 /nfs/dbraw/zinc/27/27/89/1440272789.db2.gz AHQHMGQTAHYZKY-DLBZAZTESA-N 2 2 342.487 3.355 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CC2CC3(CCC3)C2)c(C)[nH+]1 ZINC001753057850 1440282206 /nfs/dbraw/zinc/28/22/06/1440282206.db2.gz PCGQDRFRSKPGID-UHFFFAOYSA-N 2 2 329.488 3.249 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CC2CC3(CCC3)C2)c(C)[nH+]1 ZINC001753057850 1440282207 /nfs/dbraw/zinc/28/22/07/1440282207.db2.gz PCGQDRFRSKPGID-UHFFFAOYSA-N 2 2 329.488 3.249 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113771 1440310082 /nfs/dbraw/zinc/31/00/82/1440310082.db2.gz SBTHUTFJWREWJX-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113771 1440310083 /nfs/dbraw/zinc/31/00/83/1440310083.db2.gz SBTHUTFJWREWJX-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753350923 1440377833 /nfs/dbraw/zinc/37/78/33/1440377833.db2.gz AXBHJGPGERMDSN-GOSISDBHSA-N 2 2 348.535 3.143 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753350923 1440377834 /nfs/dbraw/zinc/37/78/34/1440377834.db2.gz AXBHJGPGERMDSN-GOSISDBHSA-N 2 2 348.535 3.143 20 0 EGADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccccc1Cl ZINC001753426570 1440397029 /nfs/dbraw/zinc/39/70/29/1440397029.db2.gz GSASUVSDEGNZDM-JYJNAYRXSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccccc1Cl ZINC001753426570 1440397030 /nfs/dbraw/zinc/39/70/30/1440397030.db2.gz GSASUVSDEGNZDM-JYJNAYRXSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccccc1Cl ZINC001753426570 1440397031 /nfs/dbraw/zinc/39/70/31/1440397031.db2.gz GSASUVSDEGNZDM-JYJNAYRXSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccccc1Cl ZINC001753426570 1440397032 /nfs/dbraw/zinc/39/70/32/1440397032.db2.gz GSASUVSDEGNZDM-JYJNAYRXSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@H]1CCCC[C@]1(C[NH2+]CCCC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001753536815 1440432874 /nfs/dbraw/zinc/43/28/74/1440432874.db2.gz ZDFPMKCZVDHIIG-OXJNMPFZSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1CC[NH+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001753596065 1440444664 /nfs/dbraw/zinc/44/46/64/1440444664.db2.gz SQFSDJVTUKUGSF-IBGZPJMESA-N 2 2 346.519 3.099 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001753757400 1440483425 /nfs/dbraw/zinc/48/34/25/1440483425.db2.gz PXBJENVVVMYCKX-DLBZAZTESA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753783005 1440487590 /nfs/dbraw/zinc/48/75/90/1440487590.db2.gz TYVZSHBEOMSZDD-LJQANCHMSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001753807575 1440492043 /nfs/dbraw/zinc/49/20/43/1440492043.db2.gz OLFTVUIFTWSUPL-IAGOWNOFSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001753810700 1440492788 /nfs/dbraw/zinc/49/27/88/1440492788.db2.gz BIOMIARKUNKPNR-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754137721 1440543914 /nfs/dbraw/zinc/54/39/14/1440543914.db2.gz NGEITWKCOKIQLI-MBVDDHJVSA-N 2 2 328.460 3.121 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754231994 1440554291 /nfs/dbraw/zinc/55/42/91/1440554291.db2.gz UWLJAQRWWKRBCF-HUUCEWRRSA-N 2 2 336.439 3.340 20 0 EGADLP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001754236347 1440555012 /nfs/dbraw/zinc/55/50/12/1440555012.db2.gz LFTDTWJWEFJKEP-MRXNPFEDSA-N 2 2 340.471 3.161 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCF)c(C)[nH+]1 ZINC001754344457 1440589394 /nfs/dbraw/zinc/58/93/94/1440589394.db2.gz DGXFCMUCQHNRGE-IRXDYDNUSA-N 2 2 335.467 3.245 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001754352602 1440591094 /nfs/dbraw/zinc/59/10/94/1440591094.db2.gz ZMDUTFNKKPUVIY-MSOLQXFVSA-N 2 2 348.535 3.364 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001754614273 1440644232 /nfs/dbraw/zinc/64/42/32/1440644232.db2.gz ROGWRUWIRNYIBD-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001754709252 1440669794 /nfs/dbraw/zinc/66/97/94/1440669794.db2.gz YOKJCGFVOCSKOW-IEBWSBKVSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754794350 1440689086 /nfs/dbraw/zinc/68/90/86/1440689086.db2.gz AOJGCSLXNPSDNS-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754794350 1440689087 /nfs/dbraw/zinc/68/90/87/1440689087.db2.gz AOJGCSLXNPSDNS-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCC(F)(F)F)CCC2)c(C)[nH+]1 ZINC001754989176 1440723795 /nfs/dbraw/zinc/72/37/95/1440723795.db2.gz JZOCOYPMYGRYRY-UHFFFAOYSA-N 2 2 343.393 3.201 20 0 EGADLP CCC[NH2+]C1(CC)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755069714 1440746198 /nfs/dbraw/zinc/74/61/98/1440746198.db2.gz DPWGOCPUFNGBHT-KRWDZBQOSA-N 2 2 334.508 3.241 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCCCCF ZINC001755159577 1440764397 /nfs/dbraw/zinc/76/43/97/1440764397.db2.gz BTGYNUQGBOSAAM-CVEARBPZSA-N 2 2 346.450 3.057 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCCCCF ZINC001755159577 1440764398 /nfs/dbraw/zinc/76/43/98/1440764398.db2.gz BTGYNUQGBOSAAM-CVEARBPZSA-N 2 2 346.450 3.057 20 0 EGADLP C[C@H](CC(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001755217566 1440784206 /nfs/dbraw/zinc/78/42/06/1440784206.db2.gz IFKUWUHXKGMHQK-IPJUCJBFSA-N 2 2 346.519 3.289 20 0 EGADLP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001755242340 1440789627 /nfs/dbraw/zinc/78/96/27/1440789627.db2.gz BJPMBSLYFPQITN-CVEARBPZSA-N 2 2 340.471 3.321 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755246607 1440790792 /nfs/dbraw/zinc/79/07/92/1440790792.db2.gz RLCYLTLGLJISDR-SJORKVTESA-N 2 2 342.487 3.405 20 0 EGADLP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001755319320 1440817444 /nfs/dbraw/zinc/81/74/44/1440817444.db2.gz QKADJBGMBGSMTD-IAGOWNOFSA-N 2 2 348.535 3.487 20 0 EGADLP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001755319320 1440817445 /nfs/dbraw/zinc/81/74/45/1440817445.db2.gz QKADJBGMBGSMTD-IAGOWNOFSA-N 2 2 348.535 3.487 20 0 EGADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755383566 1440839945 /nfs/dbraw/zinc/83/99/45/1440839945.db2.gz VXXLOELTDLZTJF-HNNXBMFYSA-N 2 2 342.487 3.211 20 0 EGADLP CCCN(CCC)c1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc[nH+]1 ZINC001164768843 721293731 /nfs/dbraw/zinc/29/37/31/721293731.db2.gz HZFWHZCBBIMWCV-UHFFFAOYSA-N 2 2 343.519 3.025 20 0 EGADLP CCCN(CCC)c1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc[nH+]1 ZINC001164768843 721293734 /nfs/dbraw/zinc/29/37/34/721293734.db2.gz HZFWHZCBBIMWCV-UHFFFAOYSA-N 2 2 343.519 3.025 20 0 EGADLP CCCN(CCC)c1cc(N2CCC([NH+](CC)CC)CC2)nc[nH+]1 ZINC001165052939 722004233 /nfs/dbraw/zinc/00/42/33/722004233.db2.gz GTHRQAMKEAVPSE-UHFFFAOYSA-N 2 2 333.524 3.414 20 0 EGADLP CCCN(CCC)c1cc(N2CCC([NH+](CC)CC)CC2)[nH+]cn1 ZINC001165052939 722004237 /nfs/dbraw/zinc/00/42/37/722004237.db2.gz GTHRQAMKEAVPSE-UHFFFAOYSA-N 2 2 333.524 3.414 20 0 EGADLP CCC(CC)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCC1 ZINC000194977351 282238015 /nfs/dbraw/zinc/23/80/15/282238015.db2.gz NMCIZVLOGBLATE-RTBURBONSA-N 2 2 341.503 3.384 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530186 282240050 /nfs/dbraw/zinc/24/00/50/282240050.db2.gz AOQBYWRYFCKWKE-DLBZAZTESA-N 2 2 347.507 3.157 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccccc1Br ZINC000181075489 529898957 /nfs/dbraw/zinc/89/89/57/529898957.db2.gz PHRIALUNMNKDQE-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccccc1Br ZINC000181075489 529898958 /nfs/dbraw/zinc/89/89/58/529898958.db2.gz PHRIALUNMNKDQE-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP C[N@H+](CCOc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657698 529926851 /nfs/dbraw/zinc/92/68/51/529926851.db2.gz IJIBTQPCKNAVOG-UHFFFAOYSA-N 2 2 339.483 3.099 20 0 EGADLP C[N@@H+](CCOc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657698 529926852 /nfs/dbraw/zinc/92/68/52/529926852.db2.gz IJIBTQPCKNAVOG-UHFFFAOYSA-N 2 2 339.483 3.099 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)c2C1 ZINC000066761092 215076175 /nfs/dbraw/zinc/07/61/75/215076175.db2.gz VPIZYLYWYGMKCZ-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)c2C1 ZINC000066761092 215076177 /nfs/dbraw/zinc/07/61/77/215076177.db2.gz VPIZYLYWYGMKCZ-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000181086013 234082164 /nfs/dbraw/zinc/08/21/64/234082164.db2.gz BMPJVTWWJMAXLG-HNNXBMFYSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000181086013 234082166 /nfs/dbraw/zinc/08/21/66/234082166.db2.gz BMPJVTWWJMAXLG-HNNXBMFYSA-N 2 2 325.416 3.325 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)Cc1[nH+]ccc(OC)c1OC ZINC000344065566 283258135 /nfs/dbraw/zinc/25/81/35/283258135.db2.gz OUJYNOKPDOKVNR-UHFFFAOYSA-N 2 2 335.492 3.187 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000130566777 223162707 /nfs/dbraw/zinc/16/27/07/223162707.db2.gz WJIZIAIJLQYSEE-UHFFFAOYSA-N 2 2 345.397 3.178 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+](C)C1CC1 ZINC000130716409 223171743 /nfs/dbraw/zinc/17/17/43/223171743.db2.gz XCPONSVOAPMYJE-CQSZACIVSA-N 2 2 349.906 3.017 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+](C)C1CC1 ZINC000130716409 223171745 /nfs/dbraw/zinc/17/17/45/223171745.db2.gz XCPONSVOAPMYJE-CQSZACIVSA-N 2 2 349.906 3.017 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859754 216318461 /nfs/dbraw/zinc/31/84/61/216318461.db2.gz IHMYMNLVRZOFNM-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859754 216318464 /nfs/dbraw/zinc/31/84/64/216318464.db2.gz IHMYMNLVRZOFNM-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859754 216318467 /nfs/dbraw/zinc/31/84/67/216318467.db2.gz IHMYMNLVRZOFNM-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859754 216318469 /nfs/dbraw/zinc/31/84/69/216318469.db2.gz IHMYMNLVRZOFNM-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000191295198 239025042 /nfs/dbraw/zinc/02/50/42/239025042.db2.gz QARMRAHMPNWBON-FUHWJXTLSA-N 2 2 341.503 3.176 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@H+]1Cc1ccccc1 ZINC000191295198 239025045 /nfs/dbraw/zinc/02/50/45/239025045.db2.gz QARMRAHMPNWBON-FUHWJXTLSA-N 2 2 341.503 3.176 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836122 239330451 /nfs/dbraw/zinc/33/04/51/239330451.db2.gz VDEMVRZOXWQUBT-HKUYNNGSSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836122 239330456 /nfs/dbraw/zinc/33/04/56/239330456.db2.gz VDEMVRZOXWQUBT-HKUYNNGSSA-N 2 2 325.456 3.023 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000246600163 243277495 /nfs/dbraw/zinc/27/74/95/243277495.db2.gz QLGIBGHDUUIDCD-HUUCEWRRSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000246600163 243277524 /nfs/dbraw/zinc/27/75/24/243277524.db2.gz QLGIBGHDUUIDCD-HUUCEWRRSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+]CC(C)(C)O)cc3)[nH+]c12 ZINC000111385749 220150130 /nfs/dbraw/zinc/15/01/30/220150130.db2.gz DVZUVZUWHQVNHE-UHFFFAOYSA-N 2 2 339.439 3.082 20 0 EGADLP C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000266471468 248317355 /nfs/dbraw/zinc/31/73/55/248317355.db2.gz UVYZKJMDPMCNCF-AWEZNQCLSA-N 2 2 328.416 3.336 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000377348539 169013963 /nfs/dbraw/zinc/01/39/63/169013963.db2.gz VNVQSWVDGKFULL-OXJNMPFZSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000377348539 169013965 /nfs/dbraw/zinc/01/39/65/169013965.db2.gz VNVQSWVDGKFULL-OXJNMPFZSA-N 2 2 349.482 3.029 20 0 EGADLP CCOc1c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)nn1CC(C)C ZINC000377628700 169051861 /nfs/dbraw/zinc/05/18/61/169051861.db2.gz OPFFBHYEQZEWNS-JWTNVVGKSA-N 2 2 348.535 3.303 20 0 EGADLP CCOc1c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)nn1CC(C)C ZINC000377628700 169051863 /nfs/dbraw/zinc/05/18/63/169051863.db2.gz OPFFBHYEQZEWNS-JWTNVVGKSA-N 2 2 348.535 3.303 20 0 EGADLP CCOc1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)nn1CC(C)C ZINC000377628700 169051865 /nfs/dbraw/zinc/05/18/65/169051865.db2.gz OPFFBHYEQZEWNS-JWTNVVGKSA-N 2 2 348.535 3.303 20 0 EGADLP CCOc1c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)nn1CC(C)C ZINC000377628700 169051866 /nfs/dbraw/zinc/05/18/66/169051866.db2.gz OPFFBHYEQZEWNS-JWTNVVGKSA-N 2 2 348.535 3.303 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250837 169091563 /nfs/dbraw/zinc/09/15/63/169091563.db2.gz UTEBJUYXNVYLPV-QLFBSQMISA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250837 169091566 /nfs/dbraw/zinc/09/15/66/169091566.db2.gz UTEBJUYXNVYLPV-QLFBSQMISA-N 2 2 337.533 3.124 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438023 169119733 /nfs/dbraw/zinc/11/97/33/169119733.db2.gz HXMOPGLOGUCRQU-QUCCMNQESA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438023 169119735 /nfs/dbraw/zinc/11/97/35/169119735.db2.gz HXMOPGLOGUCRQU-QUCCMNQESA-N 2 2 338.499 3.373 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000092043317 218109208 /nfs/dbraw/zinc/10/92/08/218109208.db2.gz ARPVKEITAYAQRQ-ZFWWWQNUSA-N 2 2 340.414 3.213 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1OC(F)F ZINC000092043317 218109211 /nfs/dbraw/zinc/10/92/11/218109211.db2.gz ARPVKEITAYAQRQ-ZFWWWQNUSA-N 2 2 340.414 3.213 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1OC(F)F ZINC000092043317 218109212 /nfs/dbraw/zinc/10/92/12/218109212.db2.gz ARPVKEITAYAQRQ-ZFWWWQNUSA-N 2 2 340.414 3.213 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1OC(F)F ZINC000092043317 218109214 /nfs/dbraw/zinc/10/92/14/218109214.db2.gz ARPVKEITAYAQRQ-ZFWWWQNUSA-N 2 2 340.414 3.213 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000092794505 218168960 /nfs/dbraw/zinc/16/89/60/218168960.db2.gz NYSJLLOCHJNSLD-UHFFFAOYSA-N 2 2 341.503 3.211 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000092794505 218168963 /nfs/dbraw/zinc/16/89/63/218168963.db2.gz NYSJLLOCHJNSLD-UHFFFAOYSA-N 2 2 341.503 3.211 20 0 EGADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000093398788 218221856 /nfs/dbraw/zinc/22/18/56/218221856.db2.gz IYBXRXBBQGYFCE-INIZCTEOSA-N 2 2 344.528 3.131 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000093665414 218240848 /nfs/dbraw/zinc/24/08/48/218240848.db2.gz NQZQAIJKKGIHHP-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000093665414 218240849 /nfs/dbraw/zinc/24/08/49/218240849.db2.gz NQZQAIJKKGIHHP-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742211 218245259 /nfs/dbraw/zinc/24/52/59/218245259.db2.gz ZGOULMNKEQPTNA-HNNXBMFYSA-N 2 2 330.451 3.380 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742211 218245261 /nfs/dbraw/zinc/24/52/61/218245261.db2.gz ZGOULMNKEQPTNA-HNNXBMFYSA-N 2 2 330.451 3.380 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742211 218245264 /nfs/dbraw/zinc/24/52/64/218245264.db2.gz ZGOULMNKEQPTNA-HNNXBMFYSA-N 2 2 330.451 3.380 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742211 218245267 /nfs/dbraw/zinc/24/52/67/218245267.db2.gz ZGOULMNKEQPTNA-HNNXBMFYSA-N 2 2 330.451 3.380 20 0 EGADLP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000095420522 218361750 /nfs/dbraw/zinc/36/17/50/218361750.db2.gz MMDSBZJHLQTKTM-KRWDZBQOSA-N 2 2 340.467 3.378 20 0 EGADLP COCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000268815215 252266943 /nfs/dbraw/zinc/26/69/43/252266943.db2.gz VQWRXBMTBKPYRQ-UHFFFAOYSA-N 2 2 328.456 3.223 20 0 EGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268859782 252309087 /nfs/dbraw/zinc/30/90/87/252309087.db2.gz JDNFFAJSGWTORT-MJGOQNOKSA-N 2 2 333.520 3.150 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181086651 533208204 /nfs/dbraw/zinc/20/82/04/533208204.db2.gz RUQNZOUROHYPEU-AWEZNQCLSA-N 2 2 341.415 3.025 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181086651 533208210 /nfs/dbraw/zinc/20/82/10/533208210.db2.gz RUQNZOUROHYPEU-AWEZNQCLSA-N 2 2 341.415 3.025 20 0 EGADLP Cc1cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119207441 221266677 /nfs/dbraw/zinc/26/66/77/221266677.db2.gz UQBBYHDBPRAYAK-GOSISDBHSA-N 2 2 338.455 3.376 20 0 EGADLP Cc1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000119207441 221266680 /nfs/dbraw/zinc/26/66/80/221266680.db2.gz UQBBYHDBPRAYAK-GOSISDBHSA-N 2 2 338.455 3.376 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000246875480 141040859 /nfs/dbraw/zinc/04/08/59/141040859.db2.gz LEOZYPZNBYOZOI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)o2)cc1 ZINC000246875480 141040860 /nfs/dbraw/zinc/04/08/60/141040860.db2.gz LEOZYPZNBYOZOI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000246875480 141040863 /nfs/dbraw/zinc/04/08/63/141040863.db2.gz LEOZYPZNBYOZOI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000246875480 141040865 /nfs/dbraw/zinc/04/08/65/141040865.db2.gz LEOZYPZNBYOZOI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246968115 141046841 /nfs/dbraw/zinc/04/68/41/141046841.db2.gz JFACCFUYFKPSBH-UYAOXDASSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246968115 141046842 /nfs/dbraw/zinc/04/68/42/141046842.db2.gz JFACCFUYFKPSBH-UYAOXDASSA-N 2 2 339.483 3.269 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246985616 141047601 /nfs/dbraw/zinc/04/76/01/141047601.db2.gz JZNDJAWVIFRHQZ-XGHQBKJUSA-N 2 2 339.483 3.135 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246985616 141047602 /nfs/dbraw/zinc/04/76/02/141047602.db2.gz JZNDJAWVIFRHQZ-XGHQBKJUSA-N 2 2 339.483 3.135 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820625 141061832 /nfs/dbraw/zinc/06/18/32/141061832.db2.gz OUUWGJOVLCUFMS-HOTGVXAUSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820625 141061833 /nfs/dbraw/zinc/06/18/33/141061833.db2.gz OUUWGJOVLCUFMS-HOTGVXAUSA-N 2 2 337.423 3.231 20 0 EGADLP CC[NH+](CC)CCC[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC000338363160 141108160 /nfs/dbraw/zinc/10/81/60/141108160.db2.gz PRTUIHUNVPJAJX-UHFFFAOYSA-N 2 2 338.467 3.162 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2cccnc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923677 141217395 /nfs/dbraw/zinc/21/73/95/141217395.db2.gz DBHDLXLENYCSNT-ZIAGYGMSSA-N 2 2 330.501 3.434 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2cccnc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923677 141217399 /nfs/dbraw/zinc/21/73/99/141217399.db2.gz DBHDLXLENYCSNT-ZIAGYGMSSA-N 2 2 330.501 3.434 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000347991712 141229429 /nfs/dbraw/zinc/22/94/29/141229429.db2.gz BLMCZFGDPLIZCL-INIZCTEOSA-N 2 2 337.552 3.124 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000348014253 141232154 /nfs/dbraw/zinc/23/21/54/141232154.db2.gz MJPQKVBAYFUONT-INIZCTEOSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000352973073 141280707 /nfs/dbraw/zinc/28/07/07/141280707.db2.gz KSYBPBTZCRRDTE-IAGOWNOFSA-N 2 2 335.923 3.330 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445990 141297753 /nfs/dbraw/zinc/29/77/53/141297753.db2.gz FDVRBXKXUFLSSR-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445990 141297754 /nfs/dbraw/zinc/29/77/54/141297754.db2.gz FDVRBXKXUFLSSR-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP CN(CC[N@@H+](C)Cc1cscc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000356313018 141339491 /nfs/dbraw/zinc/33/94/91/141339491.db2.gz DBMPGOREJYIDTJ-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cscc1C(F)(F)F ZINC000356313018 141339493 /nfs/dbraw/zinc/33/94/93/141339493.db2.gz DBMPGOREJYIDTJ-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cscc1C(F)(F)F ZINC000356313018 141339495 /nfs/dbraw/zinc/33/94/95/141339495.db2.gz DBMPGOREJYIDTJ-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636394 141393376 /nfs/dbraw/zinc/39/33/76/141393376.db2.gz QFXZZTTZHVEXPZ-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636394 141393381 /nfs/dbraw/zinc/39/33/81/141393381.db2.gz QFXZZTTZHVEXPZ-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000178244971 144067566 /nfs/dbraw/zinc/06/75/66/144067566.db2.gz NZDIHVRAJVKTHP-AWEZNQCLSA-N 2 2 330.451 3.183 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178328330 144069452 /nfs/dbraw/zinc/06/94/52/144069452.db2.gz LFBUJVJOJNMCAU-UKRRQHHQSA-N 2 2 325.522 3.021 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178328330 144069453 /nfs/dbraw/zinc/06/94/53/144069453.db2.gz LFBUJVJOJNMCAU-UKRRQHHQSA-N 2 2 325.522 3.021 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344647561 144204970 /nfs/dbraw/zinc/20/49/70/144204970.db2.gz XILVLFRWXNUPKQ-OXJNMPFZSA-N 2 2 340.515 3.429 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344647561 144204971 /nfs/dbraw/zinc/20/49/71/144204971.db2.gz XILVLFRWXNUPKQ-OXJNMPFZSA-N 2 2 340.515 3.429 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444913 144265316 /nfs/dbraw/zinc/26/53/16/144265316.db2.gz QBYWIKQUUDJLRR-OAQYLSRUSA-N 2 2 342.458 3.283 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444913 144265318 /nfs/dbraw/zinc/26/53/18/144265318.db2.gz QBYWIKQUUDJLRR-OAQYLSRUSA-N 2 2 342.458 3.283 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444913 144265319 /nfs/dbraw/zinc/26/53/19/144265319.db2.gz QBYWIKQUUDJLRR-OAQYLSRUSA-N 2 2 342.458 3.283 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000351444913 144265322 /nfs/dbraw/zinc/26/53/22/144265322.db2.gz QBYWIKQUUDJLRR-OAQYLSRUSA-N 2 2 342.458 3.283 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)[nH]1 ZINC000351702640 144292386 /nfs/dbraw/zinc/29/23/86/144292386.db2.gz CSVIYEJWUYKAQG-PKOBYXMFSA-N 2 2 341.455 3.347 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)[nH]1 ZINC000351702640 144292387 /nfs/dbraw/zinc/29/23/87/144292387.db2.gz CSVIYEJWUYKAQG-PKOBYXMFSA-N 2 2 341.455 3.347 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1C ZINC000341086417 155149428 /nfs/dbraw/zinc/14/94/28/155149428.db2.gz DGXRGUAMUNHPTL-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1C ZINC000341086417 155149431 /nfs/dbraw/zinc/14/94/31/155149431.db2.gz DGXRGUAMUNHPTL-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1C ZINC000341086417 155149437 /nfs/dbraw/zinc/14/94/37/155149437.db2.gz DGXRGUAMUNHPTL-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1C ZINC000341086417 155149441 /nfs/dbraw/zinc/14/94/41/155149441.db2.gz DGXRGUAMUNHPTL-INIZCTEOSA-N 2 2 326.488 3.250 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CCOC2)cc1 ZINC000341125429 155176405 /nfs/dbraw/zinc/17/64/05/155176405.db2.gz KRSIKHXZQTWBTD-IBGZPJMESA-N 2 2 343.471 3.211 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CCOC2)cc1 ZINC000341125429 155176407 /nfs/dbraw/zinc/17/64/07/155176407.db2.gz KRSIKHXZQTWBTD-IBGZPJMESA-N 2 2 343.471 3.211 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000341139629 155185313 /nfs/dbraw/zinc/18/53/13/155185313.db2.gz NGRVOCMFBBKLAP-AWEZNQCLSA-N 2 2 327.476 3.110 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000341139629 155185315 /nfs/dbraw/zinc/18/53/15/155185315.db2.gz NGRVOCMFBBKLAP-AWEZNQCLSA-N 2 2 327.476 3.110 20 0 EGADLP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341442904 155293491 /nfs/dbraw/zinc/29/34/91/155293491.db2.gz SHYUQWYNXUGEFF-SFHVURJKSA-N 2 2 344.547 3.146 20 0 EGADLP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341442904 155293492 /nfs/dbraw/zinc/29/34/92/155293492.db2.gz SHYUQWYNXUGEFF-SFHVURJKSA-N 2 2 344.547 3.146 20 0 EGADLP Cc1ccc([C@@H](CNc2cc(C)[nH+]c(C3CC3)n2)[NH+]2CCCC2)o1 ZINC000341501485 155325869 /nfs/dbraw/zinc/32/58/69/155325869.db2.gz NPOYZMVUZPXUMQ-MRXNPFEDSA-N 2 2 326.444 3.235 20 0 EGADLP Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000115321369 152006369 /nfs/dbraw/zinc/00/63/69/152006369.db2.gz QHQFDIKEHUQKQN-UHFFFAOYSA-N 2 2 341.455 3.500 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000116393534 152058615 /nfs/dbraw/zinc/05/86/15/152058615.db2.gz UJEPQHHWIRNMJQ-JXFKEZNVSA-N 2 2 337.467 3.028 20 0 EGADLP Cc1noc(C)c1CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119407081 152202663 /nfs/dbraw/zinc/20/26/63/152202663.db2.gz OTLCFFMGUNWMQX-UHFFFAOYSA-N 2 2 327.472 3.430 20 0 EGADLP Cc1noc(C)c1CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119407081 152202668 /nfs/dbraw/zinc/20/26/68/152202668.db2.gz OTLCFFMGUNWMQX-UHFFFAOYSA-N 2 2 327.472 3.430 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121324713 152342870 /nfs/dbraw/zinc/34/28/70/152342870.db2.gz ULBFZVREJFROIF-AQNXPRMDSA-N 2 2 344.474 3.337 20 0 EGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(CO)c1 ZINC000122159719 152393874 /nfs/dbraw/zinc/39/38/74/152393874.db2.gz DLCPCUQJWXDXKS-GOSISDBHSA-N 2 2 346.515 3.112 20 0 EGADLP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341588175 155370390 /nfs/dbraw/zinc/37/03/90/155370390.db2.gz IWUNMGWGEFJOQK-YLJYHZDGSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000191925758 153230931 /nfs/dbraw/zinc/23/09/31/153230931.db2.gz HMVWGULGAWVXPD-UHFFFAOYSA-N 2 2 348.450 3.209 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000193969720 153315588 /nfs/dbraw/zinc/31/55/88/153315588.db2.gz OUSLPBQLONEYBT-MTQWCTHYSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000193969720 153315591 /nfs/dbraw/zinc/31/55/91/153315591.db2.gz OUSLPBQLONEYBT-MTQWCTHYSA-N 2 2 326.484 3.198 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC000310607529 154141450 /nfs/dbraw/zinc/14/14/50/154141450.db2.gz AHJPCBPFYAAYDX-JXFKEZNVSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC000310607529 154141453 /nfs/dbraw/zinc/14/14/53/154141453.db2.gz AHJPCBPFYAAYDX-JXFKEZNVSA-N 2 2 340.467 3.456 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281086 154257668 /nfs/dbraw/zinc/25/76/68/154257668.db2.gz VYRQYXYEPJQRDC-ZWKOTPCHSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281086 154257670 /nfs/dbraw/zinc/25/76/70/154257670.db2.gz VYRQYXYEPJQRDC-ZWKOTPCHSA-N 2 2 345.531 3.232 20 0 EGADLP CC(C)OC[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000337332016 154288795 /nfs/dbraw/zinc/28/87/95/154288795.db2.gz HWRIUVYWLCAENI-ZWKOTPCHSA-N 2 2 334.504 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)nn1C ZINC000337383396 154323415 /nfs/dbraw/zinc/32/34/15/154323415.db2.gz FYFUAJJZWASAHE-HNNXBMFYSA-N 2 2 330.451 3.183 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000337393690 154330065 /nfs/dbraw/zinc/33/00/65/154330065.db2.gz BHDNQNGUVFVBNO-INIZCTEOSA-N 2 2 328.456 3.479 20 0 EGADLP FC(F)O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000337527795 154398533 /nfs/dbraw/zinc/39/85/33/154398533.db2.gz BNJDTQUYXICYGV-IRXDYDNUSA-N 2 2 339.430 3.186 20 0 EGADLP Brc1c[nH+]ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000339970249 155055879 /nfs/dbraw/zinc/05/58/79/155055879.db2.gz DETMSTKVZSFUTD-CQSZACIVSA-N 2 2 336.233 3.108 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C[NH3+])C1 ZINC000346830132 156154066 /nfs/dbraw/zinc/15/40/66/156154066.db2.gz JXBLVTTUAYCKRW-CVEARBPZSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C[NH3+])C1 ZINC000346830132 156154070 /nfs/dbraw/zinc/15/40/70/156154070.db2.gz JXBLVTTUAYCKRW-CVEARBPZSA-N 2 2 334.460 3.492 20 0 EGADLP Fc1cccc(NCCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000346877026 156174347 /nfs/dbraw/zinc/17/43/47/156174347.db2.gz RSVGXQDGQXHBTJ-UHFFFAOYSA-N 2 2 342.462 3.277 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346992189 156234865 /nfs/dbraw/zinc/23/48/65/156234865.db2.gz AKOSYHPTFPKQFR-LLVKDONJSA-N 2 2 349.219 3.221 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346992189 156234868 /nfs/dbraw/zinc/23/48/68/156234868.db2.gz AKOSYHPTFPKQFR-LLVKDONJSA-N 2 2 349.219 3.221 20 0 EGADLP Cc1[nH]c(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)c[nH+]1 ZINC000348953913 156299448 /nfs/dbraw/zinc/29/94/48/156299448.db2.gz CFVSACMXADLPJK-WMLDXEAASA-N 2 2 328.460 3.213 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)s1 ZINC000349060044 156336946 /nfs/dbraw/zinc/33/69/46/156336946.db2.gz DVAOSAXPOVYJRC-UHFFFAOYSA-N 2 2 331.485 3.323 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)s1 ZINC000349060044 156336950 /nfs/dbraw/zinc/33/69/50/156336950.db2.gz DVAOSAXPOVYJRC-UHFFFAOYSA-N 2 2 331.485 3.323 20 0 EGADLP CCCCCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365500684 157147861 /nfs/dbraw/zinc/14/78/61/157147861.db2.gz DEAIUMGBGAMLSS-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365500684 157147863 /nfs/dbraw/zinc/14/78/63/157147863.db2.gz DEAIUMGBGAMLSS-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC000372468999 157338124 /nfs/dbraw/zinc/33/81/24/157338124.db2.gz QBOHIIRIONOXDO-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC000372468999 157338126 /nfs/dbraw/zinc/33/81/26/157338126.db2.gz QBOHIIRIONOXDO-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162068 162347292 /nfs/dbraw/zinc/34/72/92/162347292.db2.gz YWLGYJFBUWPZHY-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162068 162347294 /nfs/dbraw/zinc/34/72/94/162347294.db2.gz YWLGYJFBUWPZHY-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162068 162347296 /nfs/dbraw/zinc/34/72/96/162347296.db2.gz YWLGYJFBUWPZHY-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162068 162347299 /nfs/dbraw/zinc/34/72/99/162347299.db2.gz YWLGYJFBUWPZHY-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248555512 163013259 /nfs/dbraw/zinc/01/32/59/163013259.db2.gz KOMRUEKRMYBQJX-FUHWJXTLSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000248555512 163013261 /nfs/dbraw/zinc/01/32/61/163013261.db2.gz KOMRUEKRMYBQJX-FUHWJXTLSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000248848085 163038640 /nfs/dbraw/zinc/03/86/40/163038640.db2.gz INMMFLMSMMORQH-YLJYHZDGSA-N 2 2 344.499 3.030 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000248848085 163038642 /nfs/dbraw/zinc/03/86/42/163038642.db2.gz INMMFLMSMMORQH-YLJYHZDGSA-N 2 2 344.499 3.030 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000248909171 163045214 /nfs/dbraw/zinc/04/52/14/163045214.db2.gz ZLWFSCHYEKYSDD-AZUAARDMSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000248909171 163045216 /nfs/dbraw/zinc/04/52/16/163045216.db2.gz ZLWFSCHYEKYSDD-AZUAARDMSA-N 3 2 344.547 3.004 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000337269624 163189215 /nfs/dbraw/zinc/18/92/15/163189215.db2.gz LYTYMDICQSFVME-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000337269624 163189216 /nfs/dbraw/zinc/18/92/16/163189216.db2.gz LYTYMDICQSFVME-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP COc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000338273282 163202545 /nfs/dbraw/zinc/20/25/45/163202545.db2.gz FFFLMNOZEZDXIJ-QANKJYHBSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000338273282 163202546 /nfs/dbraw/zinc/20/25/46/163202546.db2.gz FFFLMNOZEZDXIJ-QANKJYHBSA-N 2 2 338.879 3.032 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338541426 163267588 /nfs/dbraw/zinc/26/75/88/163267588.db2.gz GOBIHRKGYYPCPG-UHFFFAOYSA-N 2 2 326.488 3.089 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1-c1ccnn1C ZINC000338945104 163397419 /nfs/dbraw/zinc/39/74/19/163397419.db2.gz NRGKLAYESDSJCE-MOPGFXCFSA-N 2 2 338.499 3.454 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1-c1ccnn1C ZINC000338945104 163397421 /nfs/dbraw/zinc/39/74/21/163397421.db2.gz NRGKLAYESDSJCE-MOPGFXCFSA-N 2 2 338.499 3.454 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1-c1ccnn1C ZINC000338945104 163397423 /nfs/dbraw/zinc/39/74/23/163397423.db2.gz NRGKLAYESDSJCE-MOPGFXCFSA-N 2 2 338.499 3.454 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1-c1ccnn1C ZINC000338945104 163397425 /nfs/dbraw/zinc/39/74/25/163397425.db2.gz NRGKLAYESDSJCE-MOPGFXCFSA-N 2 2 338.499 3.454 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000354402034 166014221 /nfs/dbraw/zinc/01/42/21/166014221.db2.gz UMJBEWHJESVVCL-LSTHTHJFSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000354402034 166014223 /nfs/dbraw/zinc/01/42/23/166014223.db2.gz UMJBEWHJESVVCL-LSTHTHJFSA-N 2 2 337.467 3.028 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343714831 164018555 /nfs/dbraw/zinc/01/85/55/164018555.db2.gz QBJWNTAUJHHPDE-SFHVURJKSA-N 2 2 345.531 3.074 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343714831 164018556 /nfs/dbraw/zinc/01/85/56/164018556.db2.gz QBJWNTAUJHHPDE-SFHVURJKSA-N 2 2 345.531 3.074 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988184 164077640 /nfs/dbraw/zinc/07/76/40/164077640.db2.gz YQJLXJQJPFYBAN-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988184 164077641 /nfs/dbraw/zinc/07/76/41/164077641.db2.gz YQJLXJQJPFYBAN-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000344162566 164117520 /nfs/dbraw/zinc/11/75/20/164117520.db2.gz AGOYCZGMGBOZAC-QGZVFWFLSA-N 2 2 342.487 3.421 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000346109615 164338846 /nfs/dbraw/zinc/33/88/46/164338846.db2.gz OYECAAYNMVTBKE-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000346109615 164338847 /nfs/dbraw/zinc/33/88/47/164338847.db2.gz OYECAAYNMVTBKE-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC[NH+](C)C)c1 ZINC000354954378 166072895 /nfs/dbraw/zinc/07/28/95/166072895.db2.gz ODPIURMTFNXAKJ-UHFFFAOYSA-N 2 2 329.448 3.033 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(F)c1 ZINC000351620704 165104860 /nfs/dbraw/zinc/10/48/60/165104860.db2.gz QSINRYYSIHYDTI-LRQRDZAKSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(F)c1 ZINC000351620704 165104863 /nfs/dbraw/zinc/10/48/63/165104863.db2.gz QSINRYYSIHYDTI-LRQRDZAKSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351984351 165177304 /nfs/dbraw/zinc/17/73/04/165177304.db2.gz XDXHULNJLDSMJD-XJKSGUPXSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351984351 165177307 /nfs/dbraw/zinc/17/73/07/165177307.db2.gz XDXHULNJLDSMJD-XJKSGUPXSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351984351 165177309 /nfs/dbraw/zinc/17/73/09/165177309.db2.gz XDXHULNJLDSMJD-XJKSGUPXSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351984351 165177311 /nfs/dbraw/zinc/17/73/11/165177311.db2.gz XDXHULNJLDSMJD-XJKSGUPXSA-N 2 2 344.421 3.023 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000352091010 165230331 /nfs/dbraw/zinc/23/03/31/165230331.db2.gz CPKXCLQCWBNEHF-GHTZIAJQSA-N 2 2 338.451 3.035 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000352091010 165230333 /nfs/dbraw/zinc/23/03/33/165230333.db2.gz CPKXCLQCWBNEHF-GHTZIAJQSA-N 2 2 338.451 3.035 20 0 EGADLP Oc1ccc(F)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1F ZINC000352097282 165233771 /nfs/dbraw/zinc/23/37/71/165233771.db2.gz QLFIGXJBWHHDSO-UHFFFAOYSA-N 2 2 329.350 3.205 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OC(F)F)cc2)s1 ZINC000352245235 165305388 /nfs/dbraw/zinc/30/53/88/165305388.db2.gz FINCRJAFIOMXKX-UHFFFAOYSA-N 2 2 327.400 3.096 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CCC[C@@H]3C[NH+]3CCCCC3)n2c1 ZINC000352384003 165375036 /nfs/dbraw/zinc/37/50/36/165375036.db2.gz QIJXHXSZDQTDAS-MRXNPFEDSA-N 2 2 332.879 3.438 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000353240465 165690921 /nfs/dbraw/zinc/69/09/21/165690921.db2.gz ZFKYPYWRKJFLIH-KXBFYZLASA-N 2 2 332.488 3.118 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355220290 166138226 /nfs/dbraw/zinc/13/82/26/166138226.db2.gz KPHFRNJMQWZPJD-WBAXXEDZSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355220290 166138230 /nfs/dbraw/zinc/13/82/30/166138230.db2.gz KPHFRNJMQWZPJD-WBAXXEDZSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355220290 166138231 /nfs/dbraw/zinc/13/82/31/166138231.db2.gz KPHFRNJMQWZPJD-WBAXXEDZSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355220290 166138233 /nfs/dbraw/zinc/13/82/33/166138233.db2.gz KPHFRNJMQWZPJD-WBAXXEDZSA-N 2 2 347.528 3.443 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355227911 166140818 /nfs/dbraw/zinc/14/08/18/166140818.db2.gz WEJYONRYJIBVLE-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355227911 166140821 /nfs/dbraw/zinc/14/08/21/166140821.db2.gz WEJYONRYJIBVLE-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP CCc1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000355295755 166156115 /nfs/dbraw/zinc/15/61/15/166156115.db2.gz WJNCTDFJXKKAKI-IRXDYDNUSA-N 2 2 327.497 3.269 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000355944811 166355686 /nfs/dbraw/zinc/35/56/86/166355686.db2.gz OTWIUHXOKWIQKA-YADARESESA-N 2 2 348.556 3.238 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000355944811 166355688 /nfs/dbraw/zinc/35/56/88/166355688.db2.gz OTWIUHXOKWIQKA-YADARESESA-N 2 2 348.556 3.238 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1)CC(C)C ZINC000356014100 166375045 /nfs/dbraw/zinc/37/50/45/166375045.db2.gz PYYSSAUKKJPPII-QGZVFWFLSA-N 2 2 344.503 3.368 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000359068671 167056944 /nfs/dbraw/zinc/05/69/44/167056944.db2.gz VYGFZABXDQUJBI-UXHICEINSA-N 2 2 340.467 3.204 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000359068671 167056946 /nfs/dbraw/zinc/05/69/46/167056946.db2.gz VYGFZABXDQUJBI-UXHICEINSA-N 2 2 340.467 3.204 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)nnn1-c1ccccc1 ZINC000359446189 167158554 /nfs/dbraw/zinc/15/85/54/167158554.db2.gz YRBKTZNBLIYWRZ-SJORKVTESA-N 2 2 341.503 3.491 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)nnn1-c1ccccc1 ZINC000359446189 167158557 /nfs/dbraw/zinc/15/85/57/167158557.db2.gz YRBKTZNBLIYWRZ-SJORKVTESA-N 2 2 341.503 3.491 20 0 EGADLP [NH3+]CCC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1 ZINC000359458164 167161413 /nfs/dbraw/zinc/16/14/13/167161413.db2.gz PIXROSJICPQTEI-KRWDZBQOSA-N 2 2 331.485 3.346 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1 ZINC000359458164 167161416 /nfs/dbraw/zinc/16/14/16/167161416.db2.gz PIXROSJICPQTEI-KRWDZBQOSA-N 2 2 331.485 3.346 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000359766028 167226271 /nfs/dbraw/zinc/22/62/71/167226271.db2.gz JALWUDKUKRFVER-XLIONFOSSA-N 2 2 338.499 3.463 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000359766028 167226275 /nfs/dbraw/zinc/22/62/75/167226275.db2.gz JALWUDKUKRFVER-XLIONFOSSA-N 2 2 338.499 3.463 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000360471571 167336641 /nfs/dbraw/zinc/33/66/41/167336641.db2.gz CIMRTXDFLGZXGT-KRWDZBQOSA-N 2 2 342.405 3.307 20 0 EGADLP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360546930 167354526 /nfs/dbraw/zinc/35/45/26/167354526.db2.gz PELPCBKPDVSGOK-CTNGQTDRSA-N 2 2 335.451 3.052 20 0 EGADLP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360546930 167354528 /nfs/dbraw/zinc/35/45/28/167354528.db2.gz PELPCBKPDVSGOK-CTNGQTDRSA-N 2 2 335.451 3.052 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000360553063 167356189 /nfs/dbraw/zinc/35/61/89/167356189.db2.gz QNQCFUYWAPLTQK-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000360553063 167356191 /nfs/dbraw/zinc/35/61/91/167356191.db2.gz QNQCFUYWAPLTQK-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP Cc1ccc(-c2ncc(C[NH2+]C3(CCO)CC[NH+](C)CC3)s2)cc1 ZINC000361799320 167656295 /nfs/dbraw/zinc/65/62/95/167656295.db2.gz PHENJNGCXZOCCY-UHFFFAOYSA-N 2 2 345.512 3.055 20 0 EGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000366193849 168093159 /nfs/dbraw/zinc/09/31/59/168093159.db2.gz WRHMQSNBMGYUAB-UHFFFAOYSA-N 2 2 337.427 3.072 20 0 EGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000367085933 168177018 /nfs/dbraw/zinc/17/70/18/168177018.db2.gz IHRMUIKHRNSEMO-PBHICJAKSA-N 2 2 329.419 3.494 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000367436627 168225235 /nfs/dbraw/zinc/22/52/35/168225235.db2.gz GPYHAKAAVUJVSQ-UHFFFAOYSA-N 2 2 348.491 3.145 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1O ZINC000367440145 168225807 /nfs/dbraw/zinc/22/58/07/168225807.db2.gz ZUHLWEJMPXBKLK-CQSZACIVSA-N 2 2 329.444 3.045 20 0 EGADLP OCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1 ZINC000367911573 168283538 /nfs/dbraw/zinc/28/35/38/168283538.db2.gz PLBILPVGUBXCNC-QGZVFWFLSA-N 2 2 342.830 3.134 20 0 EGADLP Cc1ccc2c(C[N@H+](C)CCCn3cc[nH+]c3)cc(=O)oc2c1C ZINC000124226199 222394686 /nfs/dbraw/zinc/39/46/86/222394686.db2.gz WBFLAUXPZSDHPG-UHFFFAOYSA-N 2 2 325.412 3.128 20 0 EGADLP Cc1ccc2c(C[N@@H+](C)CCCn3cc[nH+]c3)cc(=O)oc2c1C ZINC000124226199 222394688 /nfs/dbraw/zinc/39/46/88/222394688.db2.gz WBFLAUXPZSDHPG-UHFFFAOYSA-N 2 2 325.412 3.128 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000174029749 265019962 /nfs/dbraw/zinc/01/99/62/265019962.db2.gz UIJGBYPSMWPLNU-KLAILNCOSA-N 2 2 339.524 3.286 20 0 EGADLP CC(C)c1nc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000176973854 265222245 /nfs/dbraw/zinc/22/22/45/265222245.db2.gz NTXQPEURPKFIOS-IRXDYDNUSA-N 2 2 346.519 3.316 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)c(Cl)c3)CC2)c1 ZINC000179302826 265372211 /nfs/dbraw/zinc/37/22/11/265372211.db2.gz WNABUDXYOYLOAR-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP C[C@H]1CCC[C@](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000194664585 266134702 /nfs/dbraw/zinc/13/47/02/266134702.db2.gz LQYXVLFJYSWMAU-JXFKEZNVSA-N 2 2 340.471 3.113 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000215638873 266193288 /nfs/dbraw/zinc/19/32/88/266193288.db2.gz PVKIRYBLKYGKKO-SFHVURJKSA-N 2 2 337.552 3.412 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000269465134 266299248 /nfs/dbraw/zinc/29/92/48/266299248.db2.gz YYASZOAJYGCIFU-AWEZNQCLSA-N 2 2 331.485 3.135 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc4cc[nH]c43)[nH+]c2)C1 ZINC000269476832 266301762 /nfs/dbraw/zinc/30/17/62/266301762.db2.gz DNKHBTYUGQXIAN-GOSISDBHSA-N 2 2 335.455 3.315 20 0 EGADLP Cc1cncc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000274366245 267224868 /nfs/dbraw/zinc/22/48/68/267224868.db2.gz JRTACLJRYCCHFP-MAUKXSAKSA-N 2 2 325.460 3.098 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cn1 ZINC000274893650 267303345 /nfs/dbraw/zinc/30/33/45/267303345.db2.gz JWKOULRMHXXADF-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085355 267690786 /nfs/dbraw/zinc/69/07/86/267690786.db2.gz FOSNPQYGICMJIL-TZMCWYRMSA-N 2 2 347.532 3.367 20 0 EGADLP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085355 267690788 /nfs/dbraw/zinc/69/07/88/267690788.db2.gz FOSNPQYGICMJIL-TZMCWYRMSA-N 2 2 347.532 3.367 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC(F)F ZINC000277126699 267701456 /nfs/dbraw/zinc/70/14/56/267701456.db2.gz IEHVYDRGEMHQQI-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC(F)F ZINC000277126699 267701457 /nfs/dbraw/zinc/70/14/57/267701457.db2.gz IEHVYDRGEMHQQI-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278468903 268020038 /nfs/dbraw/zinc/02/00/38/268020038.db2.gz NNFIHDJLTVEBGN-APWZRJJASA-N 2 2 329.488 3.035 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278468903 268020040 /nfs/dbraw/zinc/02/00/40/268020040.db2.gz NNFIHDJLTVEBGN-APWZRJJASA-N 2 2 329.488 3.035 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278575075 268043020 /nfs/dbraw/zinc/04/30/20/268043020.db2.gz CLMJKVODKKFVMI-UHFFFAOYSA-N 2 2 334.851 3.129 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000109786038 275179160 /nfs/dbraw/zinc/17/91/60/275179160.db2.gz NOYRWYSPBYSXEA-SFHVURJKSA-N 2 2 345.531 3.287 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000109786038 275179161 /nfs/dbraw/zinc/17/91/61/275179161.db2.gz NOYRWYSPBYSXEA-SFHVURJKSA-N 2 2 345.531 3.287 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCc4occc43)[nH+]c2)C1 ZINC000278696473 275266405 /nfs/dbraw/zinc/26/64/05/275266405.db2.gz KUQMTOVDMOQSPM-DOTOQJQBSA-N 2 2 326.444 3.304 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C ZINC000278977323 275292902 /nfs/dbraw/zinc/29/29/02/275292902.db2.gz OHEMXHVWQWKIKQ-ZSZQSSIHSA-N 2 2 329.444 3.308 20 0 EGADLP c1cn2c(cccc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH+]1 ZINC000279395752 275327765 /nfs/dbraw/zinc/32/77/65/275327765.db2.gz KNUKETBRHIOHGH-UHFFFAOYSA-N 3 2 335.455 3.247 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279718026 275352668 /nfs/dbraw/zinc/35/26/68/275352668.db2.gz UMNPVIOIXHBAHO-CQSZACIVSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279718026 275352670 /nfs/dbraw/zinc/35/26/70/275352670.db2.gz UMNPVIOIXHBAHO-CQSZACIVSA-N 2 2 325.391 3.114 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000281900038 275586757 /nfs/dbraw/zinc/58/67/57/275586757.db2.gz UEXAJQTVEIRJTL-SFHVURJKSA-N 2 2 340.471 3.332 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H](C)C(C)(C)n1cncn1)c1ccccc1 ZINC000284317281 275791322 /nfs/dbraw/zinc/79/13/22/275791322.db2.gz ZQNYDIYRZKZQDO-HZPDHXFCSA-N 2 2 329.492 3.121 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000286978314 276065740 /nfs/dbraw/zinc/06/57/40/276065740.db2.gz IWFXWFWQCFPSOQ-HQRMLTQVSA-N 2 2 333.520 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000286978314 276065741 /nfs/dbraw/zinc/06/57/41/276065741.db2.gz IWFXWFWQCFPSOQ-HQRMLTQVSA-N 2 2 333.520 3.149 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(F)cn1 ZINC000287270102 276103027 /nfs/dbraw/zinc/10/30/27/276103027.db2.gz AXSQCSYYHJXEES-CQSZACIVSA-N 2 2 340.402 3.325 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000287492743 276124723 /nfs/dbraw/zinc/12/47/23/276124723.db2.gz KYEVOQVGGUNOTL-NVXWUHKLSA-N 2 2 328.460 3.179 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000287492743 276124724 /nfs/dbraw/zinc/12/47/24/276124724.db2.gz KYEVOQVGGUNOTL-NVXWUHKLSA-N 2 2 328.460 3.179 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287538356 276130430 /nfs/dbraw/zinc/13/04/30/276130430.db2.gz OAMLSXFPTIYFOB-YJBOKZPZSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287538356 276130432 /nfs/dbraw/zinc/13/04/32/276130432.db2.gz OAMLSXFPTIYFOB-YJBOKZPZSA-N 2 2 338.455 3.483 20 0 EGADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2c(C)cc[nH+]c2C)cc1 ZINC000287545186 276131300 /nfs/dbraw/zinc/13/13/00/276131300.db2.gz OLNUULSGCCAZDU-QGZVFWFLSA-N 2 2 342.443 3.131 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000287720470 276150682 /nfs/dbraw/zinc/15/06/82/276150682.db2.gz OPNHEMFJMDQOKY-HRCADAONSA-N 2 2 330.394 3.297 20 0 EGADLP Cn1c(CCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)[nH+]c2ccccc21 ZINC000287731720 276151757 /nfs/dbraw/zinc/15/17/57/276151757.db2.gz PETIDCPOVDIQQH-IUODEOHRSA-N 2 2 341.377 3.205 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845841 276162827 /nfs/dbraw/zinc/16/28/27/276162827.db2.gz WMBXPCLXFNNEDO-WBMJQRKESA-N 2 2 326.843 3.241 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845841 276162828 /nfs/dbraw/zinc/16/28/28/276162828.db2.gz WMBXPCLXFNNEDO-WBMJQRKESA-N 2 2 326.843 3.241 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000288439091 276214301 /nfs/dbraw/zinc/21/43/01/276214301.db2.gz CEWNSWIFOGEDRI-MRXNPFEDSA-N 2 2 325.456 3.255 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000288439091 276214302 /nfs/dbraw/zinc/21/43/02/276214302.db2.gz CEWNSWIFOGEDRI-MRXNPFEDSA-N 2 2 325.456 3.255 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387865 276331545 /nfs/dbraw/zinc/33/15/45/276331545.db2.gz QNXVYLDRTDQTAE-FXAWDEMLSA-N 2 2 327.472 3.150 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387865 276331547 /nfs/dbraw/zinc/33/15/47/276331547.db2.gz QNXVYLDRTDQTAE-FXAWDEMLSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387865 276331548 /nfs/dbraw/zinc/33/15/48/276331548.db2.gz QNXVYLDRTDQTAE-FXAWDEMLSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387865 276331550 /nfs/dbraw/zinc/33/15/50/276331550.db2.gz QNXVYLDRTDQTAE-FXAWDEMLSA-N 2 2 327.472 3.150 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290215561 276465209 /nfs/dbraw/zinc/46/52/09/276465209.db2.gz VOQKXFLTGVEAMV-HXUWFJFHSA-N 2 2 328.500 3.402 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000290354407 276484411 /nfs/dbraw/zinc/48/44/11/276484411.db2.gz MDRWPSXXNGCTQU-UHFFFAOYSA-N 3 2 341.499 3.095 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832580 277084101 /nfs/dbraw/zinc/08/41/01/277084101.db2.gz YJHCYOOCPJKKRW-BBRMVZONSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832580 277084102 /nfs/dbraw/zinc/08/41/02/277084102.db2.gz YJHCYOOCPJKKRW-BBRMVZONSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832580 277084104 /nfs/dbraw/zinc/08/41/04/277084104.db2.gz YJHCYOOCPJKKRW-BBRMVZONSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832580 277084106 /nfs/dbraw/zinc/08/41/06/277084106.db2.gz YJHCYOOCPJKKRW-BBRMVZONSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1Cc2ccccc2[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000368428914 277212816 /nfs/dbraw/zinc/21/28/16/277212816.db2.gz JTGHKAKMKUQPAL-QGZVFWFLSA-N 2 2 341.421 3.180 20 0 EGADLP C[N@@H+]1Cc2ccccc2[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000368428914 277212818 /nfs/dbraw/zinc/21/28/18/277212818.db2.gz JTGHKAKMKUQPAL-QGZVFWFLSA-N 2 2 341.421 3.180 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)O[C@@H](C)C2 ZINC000245754799 277390424 /nfs/dbraw/zinc/39/04/24/277390424.db2.gz OKRUCCGCSSLNGV-QFBILLFUSA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)O[C@@H](C)C2 ZINC000245754799 277390427 /nfs/dbraw/zinc/39/04/27/277390427.db2.gz OKRUCCGCSSLNGV-QFBILLFUSA-N 2 2 344.499 3.469 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CCC2 ZINC000369934920 279004151 /nfs/dbraw/zinc/00/41/51/279004151.db2.gz SUWWJZKYMHZIRR-ARFHVFGLSA-N 2 2 348.491 3.104 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517975 288105548 /nfs/dbraw/zinc/10/55/48/288105548.db2.gz FKCXTDCYWDASPV-HYOCIYNVSA-N 3 2 347.469 3.110 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517975 288105551 /nfs/dbraw/zinc/10/55/51/288105551.db2.gz FKCXTDCYWDASPV-HYOCIYNVSA-N 3 2 347.469 3.110 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538572 279292528 /nfs/dbraw/zinc/29/25/28/279292528.db2.gz NEVNYBVLZSAMRQ-XKGZKEIXSA-N 2 2 341.503 3.281 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538572 279292529 /nfs/dbraw/zinc/29/25/29/279292529.db2.gz NEVNYBVLZSAMRQ-XKGZKEIXSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538572 279292530 /nfs/dbraw/zinc/29/25/30/279292530.db2.gz NEVNYBVLZSAMRQ-XKGZKEIXSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538572 279292531 /nfs/dbraw/zinc/29/25/31/279292531.db2.gz NEVNYBVLZSAMRQ-XKGZKEIXSA-N 2 2 341.503 3.281 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)[NH+](C)C)cc1 ZINC000133892289 281412669 /nfs/dbraw/zinc/41/26/69/281412669.db2.gz UYKYLLYHUGJHBI-UYAOXDASSA-N 2 2 326.488 3.252 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC000366608488 281653584 /nfs/dbraw/zinc/65/35/84/281653584.db2.gz MJCGSFHIWZOXGR-MRXNPFEDSA-N 2 2 343.475 3.367 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000370664849 288724878 /nfs/dbraw/zinc/72/48/78/288724878.db2.gz KZBGVYVEKVBRIE-IKGGRYGDSA-N 2 2 347.507 3.012 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246718486 289278853 /nfs/dbraw/zinc/27/88/53/289278853.db2.gz DAELTGJQRSKUFN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246718486 289278857 /nfs/dbraw/zinc/27/88/57/289278857.db2.gz DAELTGJQRSKUFN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246718486 289278861 /nfs/dbraw/zinc/27/88/61/289278861.db2.gz DAELTGJQRSKUFN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246718486 289278864 /nfs/dbraw/zinc/27/88/64/289278864.db2.gz DAELTGJQRSKUFN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cccc2c1OCCCO2 ZINC000359453979 303378427 /nfs/dbraw/zinc/37/84/27/303378427.db2.gz GQNHMBAOEULGLV-UHFFFAOYSA-N 2 2 326.440 3.199 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc2c1OCCCO2 ZINC000359453979 303378430 /nfs/dbraw/zinc/37/84/30/303378430.db2.gz GQNHMBAOEULGLV-UHFFFAOYSA-N 2 2 326.440 3.199 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000057994150 307347779 /nfs/dbraw/zinc/34/77/79/307347779.db2.gz MYKBYRZSBGYJTK-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000062254719 307353481 /nfs/dbraw/zinc/35/34/81/307353481.db2.gz ZGABSXNURLOWMA-CYBMUJFWSA-N 2 2 337.851 3.370 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072718155 307381644 /nfs/dbraw/zinc/38/16/44/307381644.db2.gz JCLMODVSWRPROC-IAGOWNOFSA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072718155 307381646 /nfs/dbraw/zinc/38/16/46/307381646.db2.gz JCLMODVSWRPROC-IAGOWNOFSA-N 2 2 347.478 3.269 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000119936758 307501721 /nfs/dbraw/zinc/50/17/21/307501721.db2.gz OKESQXOVOZQCIA-TVFCKZIOSA-N 2 2 334.504 3.276 20 0 EGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000120937103 307513226 /nfs/dbraw/zinc/51/32/26/307513226.db2.gz DQOWMIMZZPZJSA-HAGHYFMRSA-N 2 2 328.500 3.097 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1cc2n(n1)CCC2)[N@H+](C)Cc1ccccc1 ZINC000414089191 309060330 /nfs/dbraw/zinc/06/03/30/309060330.db2.gz CKCJTWBLXRAOKL-IAGOWNOFSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1cc2n(n1)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000414089191 309060331 /nfs/dbraw/zinc/06/03/31/309060331.db2.gz CKCJTWBLXRAOKL-IAGOWNOFSA-N 2 2 326.488 3.391 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414083501 309059869 /nfs/dbraw/zinc/05/98/69/309059869.db2.gz WQSYWLJEOLDUJB-IAGOWNOFSA-N 2 2 339.483 3.058 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000414083501 309059870 /nfs/dbraw/zinc/05/98/70/309059870.db2.gz WQSYWLJEOLDUJB-IAGOWNOFSA-N 2 2 339.483 3.058 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000129575118 307616772 /nfs/dbraw/zinc/61/67/72/307616772.db2.gz RABFBBJDQJGBQL-GDBMZVCRSA-N 3 2 347.469 3.256 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414110175 309061509 /nfs/dbraw/zinc/06/15/09/309061509.db2.gz HWOQSIYYNBQKNL-QXAKKESOSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414110175 309061510 /nfs/dbraw/zinc/06/15/10/309061510.db2.gz HWOQSIYYNBQKNL-QXAKKESOSA-N 2 2 335.923 3.202 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414115996 309061865 /nfs/dbraw/zinc/06/18/65/309061865.db2.gz VSHHVZYHKDGUPP-JENIJYKNSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414115996 309061866 /nfs/dbraw/zinc/06/18/66/309061866.db2.gz VSHHVZYHKDGUPP-JENIJYKNSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000414120775 309062168 /nfs/dbraw/zinc/06/21/68/309062168.db2.gz YLYYHZUBOGIXLG-PFRQMTDMSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000414120775 309062169 /nfs/dbraw/zinc/06/21/69/309062169.db2.gz YLYYHZUBOGIXLG-PFRQMTDMSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122585 309062309 /nfs/dbraw/zinc/06/23/09/309062309.db2.gz GBTJUEPYQOZXFX-PKOBYXMFSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122585 309062310 /nfs/dbraw/zinc/06/23/10/309062310.db2.gz GBTJUEPYQOZXFX-PKOBYXMFSA-N 2 2 326.488 3.373 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414135506 309062817 /nfs/dbraw/zinc/06/28/17/309062817.db2.gz IFKWIRKVILGIFE-YTQUADARSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414135506 309062818 /nfs/dbraw/zinc/06/28/18/309062818.db2.gz IFKWIRKVILGIFE-YTQUADARSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265836 309069641 /nfs/dbraw/zinc/06/96/41/309069641.db2.gz LTMHNLOSNYLDBF-QFBILLFUSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265836 309069642 /nfs/dbraw/zinc/06/96/42/309069642.db2.gz LTMHNLOSNYLDBF-QFBILLFUSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414318861 309072699 /nfs/dbraw/zinc/07/26/99/309072699.db2.gz YGMBZKFDQPTNRA-YJBOKZPZSA-N 2 2 339.414 3.438 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)n1C ZINC000414336541 309073665 /nfs/dbraw/zinc/07/36/65/309073665.db2.gz IEYCZLMCNDMYRL-UHFFFAOYSA-N 2 2 349.276 3.028 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCc3c2cccc3Br)n1C ZINC000414341079 309073852 /nfs/dbraw/zinc/07/38/52/309073852.db2.gz UYJAIFAKOKEBLD-OAHLLOKOSA-N 2 2 349.276 3.026 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(OC(F)(F)F)c1 ZINC000414365794 309075616 /nfs/dbraw/zinc/07/56/16/309075616.db2.gz PNFASDILZVWMNO-LLVKDONJSA-N 2 2 342.365 3.236 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608074 308007060 /nfs/dbraw/zinc/00/70/60/308007060.db2.gz GRDAGRYEHNFLKA-HNAYVOBHSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608074 308007061 /nfs/dbraw/zinc/00/70/61/308007061.db2.gz GRDAGRYEHNFLKA-HNAYVOBHSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608074 308007063 /nfs/dbraw/zinc/00/70/63/308007063.db2.gz GRDAGRYEHNFLKA-HNAYVOBHSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608074 308007064 /nfs/dbraw/zinc/00/70/64/308007064.db2.gz GRDAGRYEHNFLKA-HNAYVOBHSA-N 2 2 344.890 3.442 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3cc(C(F)(F)F)ccn3)n2c1 ZINC000292916526 308079839 /nfs/dbraw/zinc/07/98/39/308079839.db2.gz HWWUUMHDFBZVOZ-UHFFFAOYSA-N 2 2 334.345 3.389 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000293138415 308102948 /nfs/dbraw/zinc/10/29/48/308102948.db2.gz ZORJKDKGTPUDJM-CRAIPNDOSA-N 2 2 348.441 3.291 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000293138415 308102949 /nfs/dbraw/zinc/10/29/49/308102949.db2.gz ZORJKDKGTPUDJM-CRAIPNDOSA-N 2 2 348.441 3.291 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC000294031459 308184497 /nfs/dbraw/zinc/18/44/97/308184497.db2.gz VQACIUYACDGHTA-RUCARUNLSA-N 2 2 348.462 3.079 20 0 EGADLP CSCc1cnc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)s1 ZINC000294255102 308204148 /nfs/dbraw/zinc/20/41/48/308204148.db2.gz URYHEIPYWINOQZ-UHFFFAOYSA-N 2 2 332.498 3.454 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000294658823 308242923 /nfs/dbraw/zinc/24/29/23/308242923.db2.gz AEYLOEBLFBYQBS-HUUCEWRRSA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000294658823 308242924 /nfs/dbraw/zinc/24/29/24/308242924.db2.gz AEYLOEBLFBYQBS-HUUCEWRRSA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000294658823 308242927 /nfs/dbraw/zinc/24/29/27/308242927.db2.gz AEYLOEBLFBYQBS-HUUCEWRRSA-N 2 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000294658823 308242929 /nfs/dbraw/zinc/24/29/29/308242929.db2.gz AEYLOEBLFBYQBS-HUUCEWRRSA-N 2 2 330.863 3.242 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000294899200 308269224 /nfs/dbraw/zinc/26/92/24/308269224.db2.gz HZOQJEOCOZXWAM-CYBMUJFWSA-N 2 2 333.819 3.229 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000294899200 308269226 /nfs/dbraw/zinc/26/92/26/308269226.db2.gz HZOQJEOCOZXWAM-CYBMUJFWSA-N 2 2 333.819 3.229 20 0 EGADLP Fc1cnc(Cl)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000295094283 308290587 /nfs/dbraw/zinc/29/05/87/308290587.db2.gz JQNCTSWZMURKED-UHFFFAOYSA-N 2 2 339.764 3.381 20 0 EGADLP Fc1cnc(Cl)c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000295100337 308291434 /nfs/dbraw/zinc/29/14/34/308291434.db2.gz KJGDNXKEECFFGQ-UHFFFAOYSA-N 2 2 334.826 3.023 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109055 308292503 /nfs/dbraw/zinc/29/25/03/308292503.db2.gz VEPONVXKOIFWHV-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109055 308292505 /nfs/dbraw/zinc/29/25/05/308292505.db2.gz VEPONVXKOIFWHV-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109055 308292506 /nfs/dbraw/zinc/29/25/06/308292506.db2.gz VEPONVXKOIFWHV-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109055 308292508 /nfs/dbraw/zinc/29/25/08/308292508.db2.gz VEPONVXKOIFWHV-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCOC4(CCC4)C3)[nH+]c2)CC1 ZINC000295675385 308349692 /nfs/dbraw/zinc/34/96/92/308349692.db2.gz KLYJMBSHGVMQHP-MRXNPFEDSA-N 2 2 344.503 3.126 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nc(Cl)ccc32)CCO1 ZINC000296503713 308434512 /nfs/dbraw/zinc/43/45/12/308434512.db2.gz QEBWEAWUBLVAOZ-IFIJOSMWSA-N 2 2 346.862 3.356 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414807029 309102588 /nfs/dbraw/zinc/10/25/88/309102588.db2.gz ZZXQXEBLQMOWCY-KRWDZBQOSA-N 2 2 327.875 3.016 20 0 EGADLP CC(C)[C@@H]([NH3+])CNC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000414807029 309102589 /nfs/dbraw/zinc/10/25/89/309102589.db2.gz ZZXQXEBLQMOWCY-KRWDZBQOSA-N 2 2 327.875 3.016 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000301238837 308692929 /nfs/dbraw/zinc/69/29/29/308692929.db2.gz FEGVQQUKSXZNHF-AWEZNQCLSA-N 2 2 325.460 3.299 20 0 EGADLP Cc1nc(N2CC[NH+](CCc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000301593197 308706597 /nfs/dbraw/zinc/70/65/97/308706597.db2.gz YXBSDEGEBAITHS-UHFFFAOYSA-N 2 2 336.483 3.029 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OCc1ccccc1 ZINC000414845683 309105152 /nfs/dbraw/zinc/10/51/52/309105152.db2.gz MJMZUBCADJWWHF-GOSISDBHSA-N 2 2 326.440 3.116 20 0 EGADLP FC(F)(F)c1cc(Br)cc(C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414867881 309106425 /nfs/dbraw/zinc/10/64/25/309106425.db2.gz OZNRNLLTBGPUGL-GFCCVEGCSA-N 2 2 337.183 3.310 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1OCc1ccccc1 ZINC000414924689 309109702 /nfs/dbraw/zinc/10/97/02/309109702.db2.gz IZOKAGGLBRNPOO-APWZRJJASA-N 2 2 340.467 3.362 20 0 EGADLP Fc1cc(F)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414940970 309110340 /nfs/dbraw/zinc/11/03/40/309110340.db2.gz CECSSOXBYJHQAM-YJBOKZPZSA-N 2 2 338.348 3.478 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414944800 309110465 /nfs/dbraw/zinc/11/04/65/309110465.db2.gz QKTPHCCQEPQOFR-XUJQIHCRSA-N 2 2 326.440 3.161 20 0 EGADLP Fc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000414953967 309111171 /nfs/dbraw/zinc/11/11/71/309111171.db2.gz SDGUBWUHLUSGDQ-UGSOOPFHSA-N 2 2 338.348 3.478 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000414972748 309112313 /nfs/dbraw/zinc/11/23/13/309112313.db2.gz MXQGXPUVUIBVMM-KRWDZBQOSA-N 3 2 335.923 3.426 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1Br ZINC000415060889 309117571 /nfs/dbraw/zinc/11/75/71/309117571.db2.gz ZFCQFZDIXIPIBN-WMLDXEAASA-N 2 2 349.247 3.433 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415094409 309119916 /nfs/dbraw/zinc/11/99/16/309119916.db2.gz XENAUMONBDLLQU-MAUKXSAKSA-N 2 2 341.455 3.072 20 0 EGADLP Cc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415124889 309122010 /nfs/dbraw/zinc/12/20/10/309122010.db2.gz CXWYLAOHBYSNLE-UHFFFAOYSA-N 3 2 329.513 3.140 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000415134223 309122866 /nfs/dbraw/zinc/12/28/66/309122866.db2.gz OFAPMSKZGXRQQS-UHFFFAOYSA-N 2 2 334.895 3.243 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000415134223 309122867 /nfs/dbraw/zinc/12/28/67/309122867.db2.gz OFAPMSKZGXRQQS-UHFFFAOYSA-N 2 2 334.895 3.243 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000415136250 309122976 /nfs/dbraw/zinc/12/29/76/309122976.db2.gz QZVRUWYXIBMQIV-HBFSDRIKSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@H]1[NH3+] ZINC000415191448 309125620 /nfs/dbraw/zinc/12/56/20/309125620.db2.gz VKPDQBCEFHKEQM-CXAGYDPISA-N 2 2 326.400 3.075 20 0 EGADLP CN(C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000415193970 309125739 /nfs/dbraw/zinc/12/57/39/309125739.db2.gz ZDYFEVWKPQROGX-KRWDZBQOSA-N 2 2 326.400 3.075 20 0 EGADLP Cc1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000415432993 309133273 /nfs/dbraw/zinc/13/32/73/309133273.db2.gz HSVBOTNQQONSSB-IFXJQAMLSA-N 2 2 345.491 3.018 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417382021 309203710 /nfs/dbraw/zinc/20/37/10/309203710.db2.gz NMBVYBDEGYULFE-INIZCTEOSA-N 2 2 343.471 3.091 20 0 EGADLP CCn1cncc1C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417924579 309228587 /nfs/dbraw/zinc/22/85/87/309228587.db2.gz XGMIWLMKGSEZQF-FQEVSTJZSA-N 2 2 340.515 3.466 20 0 EGADLP CCn1cncc1C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417924579 309228588 /nfs/dbraw/zinc/22/85/88/309228588.db2.gz XGMIWLMKGSEZQF-FQEVSTJZSA-N 2 2 340.515 3.466 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418268700 309241218 /nfs/dbraw/zinc/24/12/18/309241218.db2.gz XRMFRCNYZKUUNM-WMLDXEAASA-N 2 2 343.475 3.087 20 0 EGADLP Brc1ccc2c(cc[nH+]c2N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420259888 309278407 /nfs/dbraw/zinc/27/84/07/309278407.db2.gz MWIBOHAOMVVPKJ-OLZOCXBDSA-N 2 2 332.245 3.043 20 0 EGADLP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420328181 309282515 /nfs/dbraw/zinc/28/25/15/309282515.db2.gz DXYZLAMAPOYWKI-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420328181 309282516 /nfs/dbraw/zinc/28/25/16/309282516.db2.gz DXYZLAMAPOYWKI-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420355728 309283867 /nfs/dbraw/zinc/28/38/67/309283867.db2.gz FRFHASWTUWXUEN-NHYWBVRUSA-N 2 2 345.270 3.139 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420355728 309283868 /nfs/dbraw/zinc/28/38/68/309283868.db2.gz FRFHASWTUWXUEN-NHYWBVRUSA-N 2 2 345.270 3.139 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccccc1C(F)(F)F ZINC000420360028 309284105 /nfs/dbraw/zinc/28/41/05/309284105.db2.gz GSGHWDYSXHUUMG-MCYUEQNJSA-N 2 2 343.393 3.009 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cs2)c1 ZINC000420363839 309284263 /nfs/dbraw/zinc/28/42/63/309284263.db2.gz OHAQSDDQXCNQKI-INIZCTEOSA-N 2 2 331.485 3.296 20 0 EGADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420365127 309284402 /nfs/dbraw/zinc/28/44/02/309284402.db2.gz RVBFNHXHNPFNMX-IBGZPJMESA-N 2 2 345.531 3.311 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000420368764 309284531 /nfs/dbraw/zinc/28/45/31/309284531.db2.gz UONGWTUJYGFFIC-MRXNPFEDSA-N 2 2 349.475 3.339 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420370998 309284861 /nfs/dbraw/zinc/28/48/61/309284861.db2.gz WNKPEMGEGVQVFP-CRAIPNDOSA-N 2 2 333.520 3.025 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](CC)O1 ZINC000420958806 309304471 /nfs/dbraw/zinc/30/44/71/309304471.db2.gz PMFNULBXSHHMJM-NJDAHSKKSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](CC)O1 ZINC000420958806 309304472 /nfs/dbraw/zinc/30/44/72/309304472.db2.gz PMFNULBXSHHMJM-NJDAHSKKSA-N 2 2 346.515 3.167 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000420971824 309305158 /nfs/dbraw/zinc/30/51/58/309305158.db2.gz KYKXUCNUKIOHGH-UHFFFAOYSA-N 2 2 344.499 3.052 20 0 EGADLP c1cn(-c2cccc(OCc3ccc(C[NH+]4CCOCC4)cc3)c2)c[nH+]1 ZINC000421217537 309316633 /nfs/dbraw/zinc/31/66/33/309316633.db2.gz RASAIYWBYVGGSC-UHFFFAOYSA-N 2 2 349.434 3.284 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840234 309342673 /nfs/dbraw/zinc/34/26/73/309342673.db2.gz YJMWGLCIMWVZPB-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840234 309342674 /nfs/dbraw/zinc/34/26/74/309342674.db2.gz YJMWGLCIMWVZPB-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421843704 309343045 /nfs/dbraw/zinc/34/30/45/309343045.db2.gz RHHDIVMRHAQIOY-PIPMEXSNSA-N 2 2 335.495 3.439 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421843704 309343046 /nfs/dbraw/zinc/34/30/46/309343046.db2.gz RHHDIVMRHAQIOY-PIPMEXSNSA-N 2 2 335.495 3.439 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000422014069 309350957 /nfs/dbraw/zinc/35/09/57/309350957.db2.gz FVIKSXDJSSLGQM-RTBURBONSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000422014069 309350958 /nfs/dbraw/zinc/35/09/58/309350958.db2.gz FVIKSXDJSSLGQM-RTBURBONSA-N 2 2 349.563 3.221 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422631876 309362961 /nfs/dbraw/zinc/36/29/61/309362961.db2.gz GAAPQUABTXWMEV-ULQDDVLXSA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422631876 309362962 /nfs/dbraw/zinc/36/29/62/309362962.db2.gz GAAPQUABTXWMEV-ULQDDVLXSA-N 2 2 331.504 3.362 20 0 EGADLP CCOc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000422695900 309363458 /nfs/dbraw/zinc/36/34/58/309363458.db2.gz QLFZCJCBDRVLLP-TZMCWYRMSA-N 2 2 328.403 3.307 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(OC)c1 ZINC000422715862 309364711 /nfs/dbraw/zinc/36/47/11/309364711.db2.gz JMXXTXGNAFBKHL-IEBWSBKVSA-N 2 2 326.440 3.287 20 0 EGADLP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422773294 309367469 /nfs/dbraw/zinc/36/74/69/309367469.db2.gz ZSFUKNWWPYTSKG-BHIFYINESA-N 2 2 335.495 3.344 20 0 EGADLP Cc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)[nH+]c1 ZINC000422778751 309367938 /nfs/dbraw/zinc/36/79/38/309367938.db2.gz HTKXVROSEBGUTR-HKUYNNGSSA-N 3 2 330.520 3.259 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422816344 309370034 /nfs/dbraw/zinc/37/00/34/309370034.db2.gz ZQWHYHIFVITMPL-JXXFODFXSA-N 2 2 325.456 3.166 20 0 EGADLP COc1ccc(-c2csc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)c2)cc1 ZINC000422817276 309370250 /nfs/dbraw/zinc/37/02/50/309370250.db2.gz CRWPIJVRCOTNBZ-RHSMWYFYSA-N 2 2 346.496 3.280 20 0 EGADLP CC[C@H](NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422838560 309371116 /nfs/dbraw/zinc/37/11/16/309371116.db2.gz XMHDYUHPUMHRHO-OALUTQOASA-N 2 2 326.488 3.136 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000422870207 309372839 /nfs/dbraw/zinc/37/28/39/309372839.db2.gz BMWIAMQQZKSYLB-KBPBESRZSA-N 2 2 328.403 3.307 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1OC(F)F ZINC000422870231 309372930 /nfs/dbraw/zinc/37/29/30/309372930.db2.gz BPTCMZILXNBAOX-UONOGXRCSA-N 2 2 328.403 3.436 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872994 309373037 /nfs/dbraw/zinc/37/30/37/309373037.db2.gz JKVCOJQBXBPLIK-KNBMTAEXSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872994 309373038 /nfs/dbraw/zinc/37/30/38/309373038.db2.gz JKVCOJQBXBPLIK-KNBMTAEXSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422890170 309374472 /nfs/dbraw/zinc/37/44/72/309374472.db2.gz RNCAZWCFKHEXCD-PNPHSEOMSA-N 2 2 329.469 3.358 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422889032 309374490 /nfs/dbraw/zinc/37/44/90/309374490.db2.gz OPOHPTPLLSYXCC-LJHODMEESA-N 2 2 345.874 3.181 20 0 EGADLP Fc1ccc(Oc2ccnc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000422892789 309374603 /nfs/dbraw/zinc/37/46/03/309374603.db2.gz ZLCNYIGJRAIKLB-XYPWUTKMSA-N 2 2 327.403 3.386 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000422905733 309375579 /nfs/dbraw/zinc/37/55/79/309375579.db2.gz SOPLXQQCTAVYHQ-ZDUSSCGKSA-N 3 2 339.418 3.024 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422964477 309378489 /nfs/dbraw/zinc/37/84/89/309378489.db2.gz LVPANPYMPIULHY-JXFKEZNVSA-N 2 2 339.483 3.451 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)s1 ZINC000422984679 309379560 /nfs/dbraw/zinc/37/95/60/309379560.db2.gz BFQSPWOBDYUXQI-IJLUTSLNSA-N 2 2 335.300 3.302 20 0 EGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422996660 309379908 /nfs/dbraw/zinc/37/99/08/309379908.db2.gz MPWFAINIRIDFIX-DOADOZAASA-N 2 2 332.488 3.042 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423024401 309381666 /nfs/dbraw/zinc/38/16/66/309381666.db2.gz LTSMKEHRLPXFQC-IGCXYCKISA-N 2 2 325.859 3.178 20 0 EGADLP C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1c[nH+]ccc1N ZINC000423051381 309383231 /nfs/dbraw/zinc/38/32/31/309383231.db2.gz NXJLFVDKIDAXAM-JTQLQIEISA-N 2 2 348.244 3.042 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423064166 309383935 /nfs/dbraw/zinc/38/39/35/309383935.db2.gz QRJMVJLJNCXWOI-GJZGRUSLSA-N 2 2 326.831 3.461 20 0 EGADLP CCCCOc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1Cl ZINC000423075522 309384645 /nfs/dbraw/zinc/38/46/45/309384645.db2.gz XFSOANOTAKINAF-HOCLYGCPSA-N 2 2 340.895 3.376 20 0 EGADLP CCCCOc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1Cl ZINC000423075520 309384693 /nfs/dbraw/zinc/38/46/93/309384693.db2.gz XFSOANOTAKINAF-GDBMZVCRSA-N 2 2 340.895 3.376 20 0 EGADLP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423103332 309386157 /nfs/dbraw/zinc/38/61/57/309386157.db2.gz PAWVAVNERDPRCF-SJORKVTESA-N 2 2 347.409 3.308 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423111387 309386523 /nfs/dbraw/zinc/38/65/23/309386523.db2.gz WLIWNPIEOBTNAA-WPPJOMGTSA-N 2 2 326.843 3.082 20 0 EGADLP FC(F)(F)[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423133908 309387580 /nfs/dbraw/zinc/38/75/80/309387580.db2.gz LIQMGTUSFBRFFG-IKGGRYGDSA-N 2 2 342.405 3.079 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142734 309388087 /nfs/dbraw/zinc/38/80/87/309388087.db2.gz VRLYTEUUSZSCPS-HLAWJBBLSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142734 309388088 /nfs/dbraw/zinc/38/80/88/309388088.db2.gz VRLYTEUUSZSCPS-HLAWJBBLSA-N 3 2 329.532 3.409 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCS2 ZINC000423184802 309389578 /nfs/dbraw/zinc/38/95/78/309389578.db2.gz IRQNHKCNOCGKAL-AAEUAGOBSA-N 2 2 327.291 3.328 20 0 EGADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC[NH2+]C1 ZINC000423203886 309390290 /nfs/dbraw/zinc/39/02/90/309390290.db2.gz AKLNBIPDEXRGBB-KOLCDFICSA-N 2 2 349.784 3.027 20 0 EGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423236895 309391855 /nfs/dbraw/zinc/39/18/55/309391855.db2.gz PBQJZPKCYRJORN-AZUAARDMSA-N 2 2 328.431 3.460 20 0 EGADLP COCCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423235921 309391905 /nfs/dbraw/zinc/39/19/05/309391905.db2.gz NQNIWPXGJQBJTN-HOTGVXAUSA-N 2 2 341.293 3.258 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000423258564 309392639 /nfs/dbraw/zinc/39/26/39/309392639.db2.gz BXAYMXZIZOAVSS-ACJLOTCBSA-N 2 2 345.466 3.273 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423267747 309393144 /nfs/dbraw/zinc/39/31/44/309393144.db2.gz FTYHORHKMCXARJ-KSSFIOAISA-N 2 2 338.517 3.037 20 0 EGADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000423309155 309394728 /nfs/dbraw/zinc/39/47/28/309394728.db2.gz PJXZNXLTDYXEGV-ZDUSSCGKSA-N 2 2 344.484 3.401 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423310935 309394806 /nfs/dbraw/zinc/39/48/06/309394806.db2.gz SSCOZNMDJDCYGI-AWEZNQCLSA-N 2 2 336.439 3.185 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2cc(C)ccn2)cc1 ZINC000423324030 309395129 /nfs/dbraw/zinc/39/51/29/309395129.db2.gz HTWJRRZTZCQGBJ-MOXGXCLJSA-N 2 2 325.456 3.195 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423334530 309395808 /nfs/dbraw/zinc/39/58/08/309395808.db2.gz PGTGFFJFNBXLRH-LBPRGKRZSA-N 2 2 337.464 3.144 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@H](C)[NH3+] ZINC000423343475 309396284 /nfs/dbraw/zinc/39/62/84/309396284.db2.gz DMYGFZUBZVFQHU-IFXJQAMLSA-N 2 2 340.471 3.444 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423363505 309397258 /nfs/dbraw/zinc/39/72/58/309397258.db2.gz JFSMJKICQQIUNO-RFUYNDQBSA-N 2 2 331.410 3.465 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cnn(Cc2ccccc2)c1 ZINC000423392354 309398378 /nfs/dbraw/zinc/39/83/78/309398378.db2.gz QFLWXZAHOUWLFD-QFBILLFUSA-N 2 2 326.488 3.360 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000423414595 309399307 /nfs/dbraw/zinc/39/93/07/309399307.db2.gz CJCBAWULRYHHPU-HOCLYGCPSA-N 2 2 326.893 3.235 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000423414418 309399320 /nfs/dbraw/zinc/39/93/20/309399320.db2.gz MUSSBBCFOHYIMX-XHDPSFHLSA-N 2 2 345.256 3.007 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000423510487 309403901 /nfs/dbraw/zinc/40/39/01/309403901.db2.gz SIRRZCSPRVHQEV-RBUKOAKNSA-N 2 2 338.430 3.490 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423821567 309414567 /nfs/dbraw/zinc/41/45/67/309414567.db2.gz RDVQTHIGEHBZCM-BPQIPLTHSA-N 2 2 349.544 3.251 20 0 EGADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000424135952 309430356 /nfs/dbraw/zinc/43/03/56/309430356.db2.gz PVLSTADCWDRHGW-UHFFFAOYSA-N 2 2 346.421 3.395 20 0 EGADLP [NH3+][C@H](CCC(=O)N1CCC(n2cc[nH+]c2)CC1)CC1CCCCC1 ZINC000424153546 309431151 /nfs/dbraw/zinc/43/11/51/309431151.db2.gz KDFKCJGYDFFWRL-QGZVFWFLSA-N 2 2 332.492 3.125 20 0 EGADLP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Cl)c1 ZINC000425369328 309476798 /nfs/dbraw/zinc/47/67/98/309476798.db2.gz LSBXOLVDGTYRQJ-UHFFFAOYSA-N 2 2 337.895 3.439 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444174551 309915370 /nfs/dbraw/zinc/91/53/70/309915370.db2.gz HGRPONXFBXOCJR-KBXCAEBGSA-N 2 2 343.814 3.465 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047417 310032812 /nfs/dbraw/zinc/03/28/12/310032812.db2.gz NTCNRXVUMVCMGQ-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047417 310032813 /nfs/dbraw/zinc/03/28/13/310032813.db2.gz NTCNRXVUMVCMGQ-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047417 310032814 /nfs/dbraw/zinc/03/28/14/310032814.db2.gz NTCNRXVUMVCMGQ-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047417 310032815 /nfs/dbraw/zinc/03/28/15/310032815.db2.gz NTCNRXVUMVCMGQ-JXFKEZNVSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047418 310032839 /nfs/dbraw/zinc/03/28/39/310032839.db2.gz NTCNRXVUMVCMGQ-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047418 310032840 /nfs/dbraw/zinc/03/28/40/310032840.db2.gz NTCNRXVUMVCMGQ-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047418 310032841 /nfs/dbraw/zinc/03/28/41/310032841.db2.gz NTCNRXVUMVCMGQ-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n(C2CCCC2)n1 ZINC000449047418 310032842 /nfs/dbraw/zinc/03/28/42/310032842.db2.gz NTCNRXVUMVCMGQ-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224711 310046012 /nfs/dbraw/zinc/04/60/12/310046012.db2.gz IPVMVANEYINLHN-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224711 310046013 /nfs/dbraw/zinc/04/60/13/310046013.db2.gz IPVMVANEYINLHN-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224711 310046014 /nfs/dbraw/zinc/04/60/14/310046014.db2.gz IPVMVANEYINLHN-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224711 310046015 /nfs/dbraw/zinc/04/60/15/310046015.db2.gz IPVMVANEYINLHN-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C)c(Br)s2)[C@@H](C)C1 ZINC000449400966 310059066 /nfs/dbraw/zinc/05/90/66/310059066.db2.gz KRVPLHAYFOQUIA-ONGXEEELSA-N 2 2 332.311 3.034 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C)c(Br)s2)[C@@H](C)C1 ZINC000449400966 310059067 /nfs/dbraw/zinc/05/90/67/310059067.db2.gz KRVPLHAYFOQUIA-ONGXEEELSA-N 2 2 332.311 3.034 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1(C)C ZINC000449502980 310067267 /nfs/dbraw/zinc/06/72/67/310067267.db2.gz SLMVQBZLSACLOW-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1(C)C ZINC000449502980 310067268 /nfs/dbraw/zinc/06/72/68/310067268.db2.gz SLMVQBZLSACLOW-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP CO[C@H]1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1(C)C ZINC000449502980 310067269 /nfs/dbraw/zinc/06/72/69/310067269.db2.gz SLMVQBZLSACLOW-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP CO[C@H]1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1(C)C ZINC000449502980 310067270 /nfs/dbraw/zinc/06/72/70/310067270.db2.gz SLMVQBZLSACLOW-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000449610771 310075252 /nfs/dbraw/zinc/07/52/52/310075252.db2.gz SBDOGQYIWHFTKD-YTQUADARSA-N 2 2 325.456 3.237 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000449610771 310075253 /nfs/dbraw/zinc/07/52/53/310075253.db2.gz SBDOGQYIWHFTKD-YTQUADARSA-N 2 2 325.456 3.237 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000449641989 310076789 /nfs/dbraw/zinc/07/67/89/310076789.db2.gz FNILGYVQDPNXAM-ZBFHGGJFSA-N 2 2 325.412 3.121 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1(O)CCCC1 ZINC000449741456 310083538 /nfs/dbraw/zinc/08/35/38/310083538.db2.gz UUTORCOJXWEURD-UHFFFAOYSA-N 2 2 336.442 3.324 20 0 EGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000450452661 310123585 /nfs/dbraw/zinc/12/35/85/310123585.db2.gz NASAWAPJGZJMPJ-CYBMUJFWSA-N 2 2 332.329 3.299 20 0 EGADLP Fc1cc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2cc1Cl ZINC000450486662 310125767 /nfs/dbraw/zinc/12/57/67/310125767.db2.gz QPHIOQJWOSUFJH-UHFFFAOYSA-N 2 2 331.782 3.077 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1Cl ZINC000450644950 310134746 /nfs/dbraw/zinc/13/47/46/310134746.db2.gz NZFJRJNMBWBUFF-UHFFFAOYSA-N 2 2 336.863 3.187 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1Cl ZINC000450644950 310134747 /nfs/dbraw/zinc/13/47/47/310134747.db2.gz NZFJRJNMBWBUFF-UHFFFAOYSA-N 2 2 336.863 3.187 20 0 EGADLP C[N@H+](CCN1CCc2c([nH+]cn2-c2ccccc2)C1)Cc1ccccc1 ZINC000450698539 310137886 /nfs/dbraw/zinc/13/78/86/310137886.db2.gz JJEKCVHHHOTCNH-UHFFFAOYSA-N 2 2 346.478 3.362 20 0 EGADLP C[N@@H+](CCN1CCc2c([nH+]cn2-c2ccccc2)C1)Cc1ccccc1 ZINC000450698539 310137887 /nfs/dbraw/zinc/13/78/87/310137887.db2.gz JJEKCVHHHOTCNH-UHFFFAOYSA-N 2 2 346.478 3.362 20 0 EGADLP Cc1c[nH+]ccc1OC1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000450881604 310147708 /nfs/dbraw/zinc/14/77/08/310147708.db2.gz ZAJJQEVPAOUKGC-UHFFFAOYSA-N 2 2 339.483 3.365 20 0 EGADLP Cc1c[nH+]ccc1OC1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000450881604 310147709 /nfs/dbraw/zinc/14/77/09/310147709.db2.gz ZAJJQEVPAOUKGC-UHFFFAOYSA-N 2 2 339.483 3.365 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCN(C)Cc2ccccc2)CC1 ZINC000450881604 310147710 /nfs/dbraw/zinc/14/77/10/310147710.db2.gz ZAJJQEVPAOUKGC-UHFFFAOYSA-N 2 2 339.483 3.365 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000453196670 310263554 /nfs/dbraw/zinc/26/35/54/310263554.db2.gz DXKMMFGQMSSQDV-NJAFHUGGSA-N 2 2 345.874 3.231 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247193 310266478 /nfs/dbraw/zinc/26/64/78/310266478.db2.gz DOJCJMYHRLKGFT-HIFRSBDPSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247193 310266479 /nfs/dbraw/zinc/26/64/79/310266479.db2.gz DOJCJMYHRLKGFT-HIFRSBDPSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250881 310266633 /nfs/dbraw/zinc/26/66/33/310266633.db2.gz HOVNAIWUQREJNQ-CJNGLKHVSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250881 310266634 /nfs/dbraw/zinc/26/66/34/310266634.db2.gz HOVNAIWUQREJNQ-CJNGLKHVSA-N 2 2 330.394 3.203 20 0 EGADLP Cc1cc[nH+]c(N2CCN(C(=O)Nc3c(C)cc(C)[nH+]c3C)CC2)c1 ZINC000455475646 310362591 /nfs/dbraw/zinc/36/25/91/310362591.db2.gz DLWPBTUKBKDHMF-UHFFFAOYSA-N 2 2 339.443 3.064 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000456391186 310403449 /nfs/dbraw/zinc/40/34/49/310403449.db2.gz PKUVYQJPFYDLRD-IUODEOHRSA-N 2 2 334.851 3.037 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000456408951 310404766 /nfs/dbraw/zinc/40/47/66/310404766.db2.gz ZPIOPYAWHRBENO-WBVHZDCISA-N 2 2 328.460 3.163 20 0 EGADLP c1cn(-c2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)c[nH+]1 ZINC000459352258 310546260 /nfs/dbraw/zinc/54/62/60/310546260.db2.gz DSTPGAZYIZKGCT-UHFFFAOYSA-N 3 2 333.439 3.026 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1C[NH+](C)C ZINC000487621958 311031501 /nfs/dbraw/zinc/03/15/01/311031501.db2.gz QDKZHQBPWLJAKR-UHFFFAOYSA-N 2 2 342.487 3.060 20 0 EGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@@H]2CCCC[N@H+]2C)C3)cc1 ZINC000487979518 311045675 /nfs/dbraw/zinc/04/56/75/311045675.db2.gz ISVCVGCIKFGPHQ-SFHVURJKSA-N 2 2 338.499 3.413 20 0 EGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@@H]2CCCC[N@@H+]2C)C3)cc1 ZINC000487979518 311045676 /nfs/dbraw/zinc/04/56/76/311045676.db2.gz ISVCVGCIKFGPHQ-SFHVURJKSA-N 2 2 338.499 3.413 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489935619 311126028 /nfs/dbraw/zinc/12/60/28/311126028.db2.gz PIAKSVFKKRLOAA-COPCDDAFSA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489935619 311126030 /nfs/dbraw/zinc/12/60/30/311126030.db2.gz PIAKSVFKKRLOAA-COPCDDAFSA-N 2 2 338.495 3.497 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)c[nH+]1 ZINC000492633789 311274143 /nfs/dbraw/zinc/27/41/43/311274143.db2.gz KPRQWTQOPMEVEI-KRWDZBQOSA-N 2 2 333.476 3.216 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000493141399 311333246 /nfs/dbraw/zinc/33/32/46/311333246.db2.gz QQHMECMXSXQDNR-ARJAWSKDSA-N 2 2 338.333 3.032 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000493890903 311443087 /nfs/dbraw/zinc/44/30/87/311443087.db2.gz IIUSVUKNECTQMM-FUMNGEBKSA-N 2 2 328.500 3.399 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1)CCC2 ZINC000495088974 311536863 /nfs/dbraw/zinc/53/68/63/311536863.db2.gz WPEFOSQYFVFSDB-CRAIPNDOSA-N 2 2 340.471 3.122 20 0 EGADLP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000504575688 312008083 /nfs/dbraw/zinc/00/80/83/312008083.db2.gz QJEDFCYXBQVIAK-SJORKVTESA-N 2 2 336.907 3.488 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000504575688 312008085 /nfs/dbraw/zinc/00/80/85/312008085.db2.gz QJEDFCYXBQVIAK-SJORKVTESA-N 2 2 336.907 3.488 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CC=CCC3)CC2)c1 ZINC000506349655 312048110 /nfs/dbraw/zinc/04/81/10/312048110.db2.gz QBNVSWQZIDUUCJ-HXUWFJFHSA-N 2 2 327.516 3.453 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[NH+](C4CCCCC4)CC3)n2c1 ZINC000506378548 312048525 /nfs/dbraw/zinc/04/85/25/312048525.db2.gz FQZISTNMENAVIU-UHFFFAOYSA-N 2 2 332.879 3.438 20 0 EGADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506453215 312049275 /nfs/dbraw/zinc/04/92/75/312049275.db2.gz HIAWRDQYTUQGJF-QGZVFWFLSA-N 2 2 348.531 3.140 20 0 EGADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506453215 312049276 /nfs/dbraw/zinc/04/92/76/312049276.db2.gz HIAWRDQYTUQGJF-QGZVFWFLSA-N 2 2 348.531 3.140 20 0 EGADLP C[C@@H]1CCC[C@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000507955257 312085918 /nfs/dbraw/zinc/08/59/18/312085918.db2.gz ZUFXAVTZLFOPQK-SJORKVTESA-N 2 2 330.520 3.272 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714054 312100596 /nfs/dbraw/zinc/10/05/96/312100596.db2.gz GUXVYZBBZBOGMO-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714054 312100599 /nfs/dbraw/zinc/10/05/99/312100599.db2.gz GUXVYZBBZBOGMO-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)c[nH+]2)C[C@H](C)O1 ZINC000515346324 312277662 /nfs/dbraw/zinc/27/76/62/312277662.db2.gz GVWBHRHQRRXZIR-QABNGEJJSA-N 2 2 338.455 3.252 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580925 312331523 /nfs/dbraw/zinc/33/15/23/312331523.db2.gz WSUHTDLLZIFMLI-HNNXBMFYSA-N 2 2 342.405 3.107 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580925 312331525 /nfs/dbraw/zinc/33/15/25/312331525.db2.gz WSUHTDLLZIFMLI-HNNXBMFYSA-N 2 2 342.405 3.107 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580925 312331527 /nfs/dbraw/zinc/33/15/27/312331527.db2.gz WSUHTDLLZIFMLI-HNNXBMFYSA-N 2 2 342.405 3.107 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000516580925 312331530 /nfs/dbraw/zinc/33/15/30/312331530.db2.gz WSUHTDLLZIFMLI-HNNXBMFYSA-N 2 2 342.405 3.107 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000516774246 312341112 /nfs/dbraw/zinc/34/11/12/312341112.db2.gz JVAHMFOGJZLXPD-QZTJIDSGSA-N 2 2 332.451 3.043 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000516774246 312341114 /nfs/dbraw/zinc/34/11/14/312341114.db2.gz JVAHMFOGJZLXPD-QZTJIDSGSA-N 2 2 332.451 3.043 20 0 EGADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](C3CCC3)CC1)O[C@@H](C)C2 ZINC000520904041 312524286 /nfs/dbraw/zinc/52/42/86/312524286.db2.gz VDNZYNQQVHSKKI-AWEZNQCLSA-N 2 2 330.472 3.125 20 0 EGADLP Clc1cnccc1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000527670454 312905469 /nfs/dbraw/zinc/90/54/69/312905469.db2.gz LUSOPKUOTOQJIU-UHFFFAOYSA-N 2 2 337.895 3.107 20 0 EGADLP Cn1cc2ccc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)cc2n1 ZINC000527760636 312934661 /nfs/dbraw/zinc/93/46/61/312934661.db2.gz FMGDUCRMOJFLHE-UHFFFAOYSA-N 2 2 340.393 3.080 20 0 EGADLP CCc1nc(C[NH+]2CCC(CNc3[nH+]cccc3OC)CC2)cs1 ZINC000527890716 312967303 /nfs/dbraw/zinc/96/73/03/312967303.db2.gz IWLOEKMNLILEMV-UHFFFAOYSA-N 2 2 346.500 3.433 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cn1 ZINC000528043578 313005685 /nfs/dbraw/zinc/00/56/85/313005685.db2.gz OCERMHNHNMERIA-FQEVSTJZSA-N 2 2 338.455 3.195 20 0 EGADLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000528726437 313156903 /nfs/dbraw/zinc/15/69/03/313156903.db2.gz ATSURTCBLRVGLV-UHFFFAOYSA-N 2 2 339.483 3.230 20 0 EGADLP CCCOc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528727585 313157611 /nfs/dbraw/zinc/15/76/11/313157611.db2.gz HSHCQJOGKDLASA-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP CC(C)CCn1cccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529663349 313381012 /nfs/dbraw/zinc/38/10/12/313381012.db2.gz KFWALWYRMIYJTM-UHFFFAOYSA-N 2 2 333.520 3.221 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ncc(Br)s1 ZINC000533783196 313933568 /nfs/dbraw/zinc/93/35/68/313933568.db2.gz HLTJCEWCKOLYQC-JTQLQIEISA-N 2 2 329.267 3.233 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534864199 314003496 /nfs/dbraw/zinc/00/34/96/314003496.db2.gz XHDWSGOSWUWYER-INIZCTEOSA-N 2 2 344.503 3.138 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)O[C@@H](C)C2 ZINC000535079971 314024371 /nfs/dbraw/zinc/02/43/71/314024371.db2.gz IUPGWURUVKIQEN-UONOGXRCSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)O[C@@H](C)C2 ZINC000535079971 314024372 /nfs/dbraw/zinc/02/43/72/314024372.db2.gz IUPGWURUVKIQEN-UONOGXRCSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(cc1C[NH+]1CCC(n3cc[nH+]c3)CC1)O[C@@H](C)C2 ZINC000536653809 314135443 /nfs/dbraw/zinc/13/54/43/314135443.db2.gz AUHWJHYHTYEKMP-AWEZNQCLSA-N 2 2 327.428 3.052 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992136 314222494 /nfs/dbraw/zinc/22/24/94/314222494.db2.gz YESFPQDGYHHCIZ-RISCZKNCSA-N 2 2 329.271 3.445 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992136 314222497 /nfs/dbraw/zinc/22/24/97/314222497.db2.gz YESFPQDGYHHCIZ-RISCZKNCSA-N 2 2 329.271 3.445 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000548635914 315029033 /nfs/dbraw/zinc/02/90/33/315029033.db2.gz WGJSYIRAPXROPS-KGLIPLIRSA-N 2 2 346.862 3.167 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000549754878 315103596 /nfs/dbraw/zinc/10/35/96/315103596.db2.gz SKWQZFHFXCEHGW-KSZLIROESA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000549754878 315103599 /nfs/dbraw/zinc/10/35/99/315103599.db2.gz SKWQZFHFXCEHGW-KSZLIROESA-N 2 2 336.520 3.495 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000551574788 315159575 /nfs/dbraw/zinc/15/95/75/315159575.db2.gz QJPOLOUWOUHSAZ-IEBWSBKVSA-N 2 2 338.499 3.362 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000551574788 315159576 /nfs/dbraw/zinc/15/95/76/315159576.db2.gz QJPOLOUWOUHSAZ-IEBWSBKVSA-N 2 2 338.499 3.362 20 0 EGADLP Cc1ccc2c(C)cc(N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)[nH+]c2c1 ZINC000553604556 315272390 /nfs/dbraw/zinc/27/23/90/315272390.db2.gz XXCASKMXKPMPHN-DLBZAZTESA-N 2 2 325.456 3.151 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+](C)C ZINC000562997457 315937600 /nfs/dbraw/zinc/93/76/00/315937600.db2.gz NRBVEDKKBHFLQN-INIZCTEOSA-N 2 2 341.455 3.347 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)n1C ZINC000563884591 316085681 /nfs/dbraw/zinc/08/56/81/316085681.db2.gz WFLIYFZNUUPACA-UHFFFAOYSA-N 2 2 342.487 3.037 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108552 /nfs/dbraw/zinc/10/85/52/316108552.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108556 /nfs/dbraw/zinc/10/85/56/316108556.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108560 /nfs/dbraw/zinc/10/85/60/316108560.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000564070208 316108566 /nfs/dbraw/zinc/10/85/66/316108566.db2.gz PXIMPWUNAQFMQT-BVOGOJNSSA-N 3 2 329.532 3.215 20 0 EGADLP O=C(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000564826266 316213416 /nfs/dbraw/zinc/21/34/16/316213416.db2.gz IGHJWAJGYZTOIX-ROUUACIJSA-N 2 2 343.858 3.361 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000564844006 316215538 /nfs/dbraw/zinc/21/55/38/316215538.db2.gz HLLKCEOBQGHGFM-LAUBAEHRSA-N 2 2 335.451 3.186 20 0 EGADLP COCC[NH2+]C1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000565056821 316258251 /nfs/dbraw/zinc/25/82/51/316258251.db2.gz TYKBKEJPWXWGNT-UHFFFAOYSA-N 2 2 334.508 3.102 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000565461648 316327019 /nfs/dbraw/zinc/32/70/19/316327019.db2.gz XVDJEFOQWSOAQK-UHFFFAOYSA-N 2 2 333.524 3.022 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000565461648 316327022 /nfs/dbraw/zinc/32/70/22/316327022.db2.gz XVDJEFOQWSOAQK-UHFFFAOYSA-N 2 2 333.524 3.022 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)CNc3ccc4c(c3)[nH+]cn4C)c2cc1C ZINC000566126246 316422335 /nfs/dbraw/zinc/42/23/35/316422335.db2.gz YHFBWWYHTCWRQT-INIZCTEOSA-N 2 2 349.438 3.013 20 0 EGADLP Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC000568070261 316720416 /nfs/dbraw/zinc/72/04/16/316720416.db2.gz JMVWYGKYVRYNLS-UHFFFAOYSA-N 2 2 340.471 3.369 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000571156540 317158912 /nfs/dbraw/zinc/15/89/12/317158912.db2.gz SOJWAZABTQQESJ-MOPGFXCFSA-N 2 2 325.456 3.410 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000571414763 317196971 /nfs/dbraw/zinc/19/69/71/317196971.db2.gz YRARBILHLUFMLH-AWEZNQCLSA-N 2 2 342.430 3.174 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCCCC1 ZINC000571432450 317199511 /nfs/dbraw/zinc/19/95/11/317199511.db2.gz BWAMZBNVWGAEBX-CQSZACIVSA-N 2 2 330.407 3.214 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230309925 456135294 /nfs/dbraw/zinc/13/52/94/456135294.db2.gz AVTGATRPRLDBCG-WDEREUQCSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230309925 456135301 /nfs/dbraw/zinc/13/53/01/456135301.db2.gz AVTGATRPRLDBCG-WDEREUQCSA-N 2 2 345.231 3.444 20 0 EGADLP C[C@@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000379672582 324240540 /nfs/dbraw/zinc/24/05/40/324240540.db2.gz NREYSAKZNBCXSD-AEFFLSMTSA-N 2 2 334.467 3.460 20 0 EGADLP C[C@@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000379672582 324240543 /nfs/dbraw/zinc/24/05/43/324240543.db2.gz NREYSAKZNBCXSD-AEFFLSMTSA-N 2 2 334.467 3.460 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381408895 324246453 /nfs/dbraw/zinc/24/64/53/324246453.db2.gz XHRGWGSHBGNONA-CABCVRRESA-N 2 2 344.459 3.264 20 0 EGADLP CCC[C@H](C(=O)OCC)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309237 324255099 /nfs/dbraw/zinc/25/50/99/324255099.db2.gz GDCUHVBJUGJLQR-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@H](C(=O)OCC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309237 324255105 /nfs/dbraw/zinc/25/51/05/324255105.db2.gz GDCUHVBJUGJLQR-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@H](C(=O)OCC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383309237 324255110 /nfs/dbraw/zinc/25/51/10/324255110.db2.gz GDCUHVBJUGJLQR-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@H](C(=O)OCC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383309237 324255115 /nfs/dbraw/zinc/25/51/15/324255115.db2.gz GDCUHVBJUGJLQR-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP C[N@H+](Cc1ccc(Br)c2cccnc12)C1(C[NH3+])CCC1 ZINC000385377181 324262692 /nfs/dbraw/zinc/26/26/92/324262692.db2.gz RLDLJUAPBKTBRF-UHFFFAOYSA-N 2 2 334.261 3.311 20 0 EGADLP C[N@@H+](Cc1ccc(Br)c2cccnc12)C1(C[NH3+])CCC1 ZINC000385377181 324262695 /nfs/dbraw/zinc/26/26/95/324262695.db2.gz RLDLJUAPBKTBRF-UHFFFAOYSA-N 2 2 334.261 3.311 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136108 324295664 /nfs/dbraw/zinc/29/56/64/324295664.db2.gz LAMICFOTHMPYEI-AEFFLSMTSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136108 324295666 /nfs/dbraw/zinc/29/56/66/324295666.db2.gz LAMICFOTHMPYEI-AEFFLSMTSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000575115187 324419673 /nfs/dbraw/zinc/41/96/73/324419673.db2.gz IHSKSKGQNKMNDD-UZLBHIALSA-N 2 2 347.466 3.022 20 0 EGADLP CC(C)c1nc(C2([NH2+]Cc3ccc4c(c3)C[NH2+]CC4)CCCC2)no1 ZINC000577878301 324882354 /nfs/dbraw/zinc/88/23/54/324882354.db2.gz BWAYVDBWAQTZEH-UHFFFAOYSA-N 2 2 340.471 3.398 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1c1ccccc1 ZINC000579328300 325094876 /nfs/dbraw/zinc/09/48/76/325094876.db2.gz VVHIQOQUQYLHJP-CVEARBPZSA-N 2 2 327.476 3.027 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1c1ccccc1 ZINC000579328300 325094879 /nfs/dbraw/zinc/09/48/79/325094879.db2.gz VVHIQOQUQYLHJP-CVEARBPZSA-N 2 2 327.476 3.027 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCCC[NH2+]CC)c1 ZINC000580168915 325212325 /nfs/dbraw/zinc/21/23/25/325212325.db2.gz ACSYSORBZHSKGZ-UHFFFAOYSA-N 2 2 343.475 3.471 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655424 325279504 /nfs/dbraw/zinc/27/95/04/325279504.db2.gz YJWHLCXBWJQWRA-CZAAIQMYSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655424 325279508 /nfs/dbraw/zinc/27/95/08/325279508.db2.gz YJWHLCXBWJQWRA-CZAAIQMYSA-N 2 2 342.458 3.154 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000581057365 325325682 /nfs/dbraw/zinc/32/56/82/325325682.db2.gz STYXXAWGDLMULL-MRXNPFEDSA-N 2 2 344.503 3.004 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000581057365 325325685 /nfs/dbraw/zinc/32/56/85/325325685.db2.gz STYXXAWGDLMULL-MRXNPFEDSA-N 2 2 344.503 3.004 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000581280093 325348375 /nfs/dbraw/zinc/34/83/75/325348375.db2.gz OIYNJMHQCDQJNG-GOSISDBHSA-N 2 2 349.438 3.293 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000581409240 325358328 /nfs/dbraw/zinc/35/83/28/325358328.db2.gz HLSFPVMCNIUSEK-ZDUSSCGKSA-N 2 2 325.368 3.103 20 0 EGADLP O=C(NCCC1=CC[NH2+]CC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000581595549 325374739 /nfs/dbraw/zinc/37/47/39/325374739.db2.gz PZAAEOFXQQLVIA-UHFFFAOYSA-N 2 2 338.411 3.305 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000582952252 325483006 /nfs/dbraw/zinc/48/30/06/325483006.db2.gz NWRJCIMKPOAQNR-JXFKEZNVSA-N 2 2 347.466 3.164 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000354100206 457061772 /nfs/dbraw/zinc/06/17/72/457061772.db2.gz KPILGVQCTCAFOB-AWEZNQCLSA-N 2 2 330.394 3.037 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000354100206 457061780 /nfs/dbraw/zinc/06/17/80/457061780.db2.gz KPILGVQCTCAFOB-AWEZNQCLSA-N 2 2 330.394 3.037 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000380500405 457419531 /nfs/dbraw/zinc/41/95/31/457419531.db2.gz XQSGHHTYOLGVDA-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000380500405 457419539 /nfs/dbraw/zinc/41/95/39/457419539.db2.gz XQSGHHTYOLGVDA-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579244 458464871 /nfs/dbraw/zinc/46/48/71/458464871.db2.gz YIKHLDBNNUCUTL-RISCZKNCSA-N 2 2 329.847 3.111 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579244 458464877 /nfs/dbraw/zinc/46/48/77/458464877.db2.gz YIKHLDBNNUCUTL-RISCZKNCSA-N 2 2 329.847 3.111 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851182 458596112 /nfs/dbraw/zinc/59/61/12/458596112.db2.gz HJQQIMJSHYUJSD-MWLCHTKSSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851182 458596120 /nfs/dbraw/zinc/59/61/20/458596120.db2.gz HJQQIMJSHYUJSD-MWLCHTKSSA-N 2 2 349.219 3.220 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567166648 459057575 /nfs/dbraw/zinc/05/75/75/459057575.db2.gz IBKCAKGVYMVSMT-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567166648 459057582 /nfs/dbraw/zinc/05/75/82/459057582.db2.gz IBKCAKGVYMVSMT-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262886 455264217 /nfs/dbraw/zinc/26/42/17/455264217.db2.gz VNFORPRAHYPQDY-YJBOKZPZSA-N 2 2 344.528 3.435 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268835 455265342 /nfs/dbraw/zinc/26/53/42/455265342.db2.gz ABDZFGZTFPQPTM-AZUAARDMSA-N 2 2 338.499 3.025 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268835 455265348 /nfs/dbraw/zinc/26/53/48/455265348.db2.gz ABDZFGZTFPQPTM-AZUAARDMSA-N 2 2 338.499 3.025 20 0 EGADLP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000183381185 455285249 /nfs/dbraw/zinc/28/52/49/455285249.db2.gz VOQDBFWGMKSZOJ-HNNXBMFYSA-N 2 2 332.411 3.108 20 0 EGADLP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000183381185 455285253 /nfs/dbraw/zinc/28/52/53/455285253.db2.gz VOQDBFWGMKSZOJ-HNNXBMFYSA-N 2 2 332.411 3.108 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891437 460590322 /nfs/dbraw/zinc/59/03/22/460590322.db2.gz ZXKFYOCXNYVOJS-LRDDRELGSA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891437 460590327 /nfs/dbraw/zinc/59/03/27/460590327.db2.gz ZXKFYOCXNYVOJS-LRDDRELGSA-N 2 2 339.277 3.032 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000632008675 460611636 /nfs/dbraw/zinc/61/16/36/460611636.db2.gz ZXQCIPKXZMMBDP-MRXNPFEDSA-N 2 2 340.471 3.175 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000632008675 460611639 /nfs/dbraw/zinc/61/16/39/460611639.db2.gz ZXQCIPKXZMMBDP-MRXNPFEDSA-N 2 2 340.471 3.175 20 0 EGADLP O=C(C[NH+]1CCCCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000029693563 453830730 /nfs/dbraw/zinc/83/07/30/453830730.db2.gz GLKSSGWXZIYTPU-SFHVURJKSA-N 2 2 349.906 3.079 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000066830941 453878569 /nfs/dbraw/zinc/87/85/69/453878569.db2.gz QOGLMJPCNWSBOH-UHFFFAOYSA-N 2 2 345.531 3.377 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000066830941 453878574 /nfs/dbraw/zinc/87/85/74/453878574.db2.gz QOGLMJPCNWSBOH-UHFFFAOYSA-N 2 2 345.531 3.377 20 0 EGADLP Fc1ccc2c(NCc3ccc[nH+]c3N3CCOCC3)cc[nH+]c2c1 ZINC000075611404 453911337 /nfs/dbraw/zinc/91/13/37/453911337.db2.gz ALVFPTNQEYGLAD-UHFFFAOYSA-N 2 2 338.386 3.218 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076004493 453948898 /nfs/dbraw/zinc/94/88/98/453948898.db2.gz UTWDBQHVPHGQFQ-ICSRJNTNSA-N 2 2 345.531 3.260 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076004493 453948899 /nfs/dbraw/zinc/94/88/99/453948899.db2.gz UTWDBQHVPHGQFQ-ICSRJNTNSA-N 2 2 345.531 3.260 20 0 EGADLP CC[N@H+](CCN1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108819 453965672 /nfs/dbraw/zinc/96/56/72/453965672.db2.gz SESPAJLKHLOLJD-UHFFFAOYSA-N 2 2 330.520 3.106 20 0 EGADLP CC[N@@H+](CCN1CCCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108819 453965676 /nfs/dbraw/zinc/96/56/76/453965676.db2.gz SESPAJLKHLOLJD-UHFFFAOYSA-N 2 2 330.520 3.106 20 0 EGADLP Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)c2ccccc2[nH+]1 ZINC000041873349 453982782 /nfs/dbraw/zinc/98/27/82/453982782.db2.gz RDYGMSVXMICIOH-UHFFFAOYSA-N 2 2 334.423 3.387 20 0 EGADLP CCc1cc(NCCC2CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068696386 454045161 /nfs/dbraw/zinc/04/51/61/454045161.db2.gz JVTTXSSKENJDMA-UHFFFAOYSA-N 2 2 325.460 3.245 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000057223128 454113653 /nfs/dbraw/zinc/11/36/53/454113653.db2.gz LKVZBVYLZQZYAA-UHFFFAOYSA-N 2 2 344.378 3.014 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000088693632 454116443 /nfs/dbraw/zinc/11/64/43/454116443.db2.gz GNACAYLTXLTQHG-CVEARBPZSA-N 2 2 330.394 3.467 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000088728377 454117647 /nfs/dbraw/zinc/11/76/47/454117647.db2.gz BKCMVFWNDZAFKZ-SNRMKQJTSA-N 2 2 330.497 3.066 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000088728377 454117651 /nfs/dbraw/zinc/11/76/51/454117651.db2.gz BKCMVFWNDZAFKZ-SNRMKQJTSA-N 2 2 330.497 3.066 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000045135138 454141256 /nfs/dbraw/zinc/14/12/56/454141256.db2.gz KAVBPACFJGLMPM-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000045135138 454141259 /nfs/dbraw/zinc/14/12/59/454141259.db2.gz KAVBPACFJGLMPM-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804009 454146026 /nfs/dbraw/zinc/14/60/26/454146026.db2.gz MFNHOIKARBOZNA-HNNXBMFYSA-N 2 2 342.405 3.250 20 0 EGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804009 454146029 /nfs/dbraw/zinc/14/60/29/454146029.db2.gz MFNHOIKARBOZNA-HNNXBMFYSA-N 2 2 342.405 3.250 20 0 EGADLP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000057964562 454158624 /nfs/dbraw/zinc/15/86/24/454158624.db2.gz UCALVIXNZJIGRW-UHFFFAOYSA-N 2 2 347.409 3.437 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1CCCCC1 ZINC000089593669 454164914 /nfs/dbraw/zinc/16/49/14/454164914.db2.gz JWHWNCYGJNNTDE-HBFSDRIKSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1CCCCC1 ZINC000089593669 454164918 /nfs/dbraw/zinc/16/49/18/454164918.db2.gz JWHWNCYGJNNTDE-HBFSDRIKSA-N 2 2 343.515 3.030 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000130355917 454191729 /nfs/dbraw/zinc/19/17/29/454191729.db2.gz NPGWLNYNBBVQBG-OAHLLOKOSA-N 2 2 339.443 3.248 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000130355917 454191735 /nfs/dbraw/zinc/19/17/35/454191735.db2.gz NPGWLNYNBBVQBG-OAHLLOKOSA-N 2 2 339.443 3.248 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1OC ZINC000119858754 454229016 /nfs/dbraw/zinc/22/90/16/454229016.db2.gz JGTCNBDMHRHCNK-UHFFFAOYSA-N 2 2 336.476 3.065 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000131490850 454257562 /nfs/dbraw/zinc/25/75/62/454257562.db2.gz KGRMTMNUUKUCTG-SJLPKXTDSA-N 2 2 334.504 3.018 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000090004234 454260075 /nfs/dbraw/zinc/26/00/75/454260075.db2.gz DLXABHSGKKKRRR-HXUWFJFHSA-N 2 2 341.499 3.324 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000090004234 454260081 /nfs/dbraw/zinc/26/00/81/454260081.db2.gz DLXABHSGKKKRRR-HXUWFJFHSA-N 2 2 341.499 3.324 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000090004233 454260813 /nfs/dbraw/zinc/26/08/13/454260813.db2.gz DLXABHSGKKKRRR-FQEVSTJZSA-N 2 2 341.499 3.324 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000090004233 454260816 /nfs/dbraw/zinc/26/08/16/454260816.db2.gz DLXABHSGKKKRRR-FQEVSTJZSA-N 2 2 341.499 3.324 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000090047716 454266556 /nfs/dbraw/zinc/26/65/56/454266556.db2.gz URWSDRXYDGMOML-ZIAGYGMSSA-N 2 2 346.393 3.347 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1Br)Cn1cc[nH+]c1 ZINC000090171788 454289363 /nfs/dbraw/zinc/28/93/63/454289363.db2.gz QVFJIMLUTKUWMZ-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000090177143 454290069 /nfs/dbraw/zinc/29/00/69/454290069.db2.gz WKXUYLHEVIIPII-FQEVSTJZSA-N 2 2 343.446 3.162 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000060451433 454291350 /nfs/dbraw/zinc/29/13/50/454291350.db2.gz XJYGSYVDFQMHLZ-MRXNPFEDSA-N 2 2 344.503 3.225 20 0 EGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090217864 454294338 /nfs/dbraw/zinc/29/43/38/454294338.db2.gz RMAQCQPRASHYMZ-AZUAARDMSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459317 454309175 /nfs/dbraw/zinc/30/91/75/454309175.db2.gz BCYOGDHVJAFAAQ-PBHICJAKSA-N 2 2 342.512 3.416 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459317 454309177 /nfs/dbraw/zinc/30/91/77/454309177.db2.gz BCYOGDHVJAFAAQ-PBHICJAKSA-N 2 2 342.512 3.416 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@H]1OC ZINC000090461520 454309609 /nfs/dbraw/zinc/30/96/09/454309609.db2.gz LBJKTTYKCBAGPW-RTBURBONSA-N 2 2 331.504 3.229 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)n1 ZINC000090667278 454333777 /nfs/dbraw/zinc/33/37/77/454333777.db2.gz PKRWLQCZNBLIMN-HOTGVXAUSA-N 2 2 339.487 3.365 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000120682246 454333827 /nfs/dbraw/zinc/33/38/27/454333827.db2.gz BHLNKRBRJZVHNP-RSPOEFSDSA-N 2 2 346.540 3.294 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000120682246 454333829 /nfs/dbraw/zinc/33/38/29/454333829.db2.gz BHLNKRBRJZVHNP-RSPOEFSDSA-N 2 2 346.540 3.294 20 0 EGADLP Clc1ccccc1OCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090772495 454339008 /nfs/dbraw/zinc/33/90/08/454339008.db2.gz LAVFMKLQHLHWJK-UHFFFAOYSA-N 2 2 345.874 3.368 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@H]1COc2ccccc21 ZINC000090844916 454344392 /nfs/dbraw/zinc/34/43/92/454344392.db2.gz OAGUBBNDXOXORC-OXJNMPFZSA-N 2 2 337.467 3.200 20 0 EGADLP c1cn(CCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c[nH+]1 ZINC000133352377 454416721 /nfs/dbraw/zinc/41/67/21/454416721.db2.gz ZORSFMPCWYXAKV-UHFFFAOYSA-N 2 2 344.462 3.271 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097159265 454417862 /nfs/dbraw/zinc/41/78/62/454417862.db2.gz ZYTYKPKQNWLLIR-HXUWFJFHSA-N 2 2 347.466 3.226 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097159265 454417866 /nfs/dbraw/zinc/41/78/66/454417866.db2.gz ZYTYKPKQNWLLIR-HXUWFJFHSA-N 2 2 347.466 3.226 20 0 EGADLP c1coc(-c2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cs2)c1 ZINC000121492171 454441921 /nfs/dbraw/zinc/44/19/21/454441921.db2.gz DEYAUJODTHJSQC-UHFFFAOYSA-N 2 2 326.425 3.120 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc2ccccn21 ZINC000121724538 454469910 /nfs/dbraw/zinc/46/99/10/454469910.db2.gz XSODOBDDEJNWJY-KRWDZBQOSA-N 2 2 349.482 3.087 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091961040 454496512 /nfs/dbraw/zinc/49/65/12/454496512.db2.gz RHMUQLAARDRFPX-NVXWUHKLSA-N 2 2 329.444 3.374 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091961040 454496515 /nfs/dbraw/zinc/49/65/15/454496515.db2.gz RHMUQLAARDRFPX-NVXWUHKLSA-N 2 2 329.444 3.374 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092072785 454515643 /nfs/dbraw/zinc/51/56/43/454515643.db2.gz JARQUNCLSCQLLD-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092072785 454515647 /nfs/dbraw/zinc/51/56/47/454515647.db2.gz JARQUNCLSCQLLD-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP COCCC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000122458365 454534840 /nfs/dbraw/zinc/53/48/40/454534840.db2.gz GBTPVIHYDQFMCJ-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)CC1 ZINC000122556858 454546013 /nfs/dbraw/zinc/54/60/13/454546013.db2.gz XCIGZIQPEAKSMZ-HNNXBMFYSA-N 2 2 332.488 3.373 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134944113 454614583 /nfs/dbraw/zinc/61/45/83/454614583.db2.gz UEWNXRZIOVWPKH-SPYBWZPUSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134944113 454614585 /nfs/dbraw/zinc/61/45/85/454614585.db2.gz UEWNXRZIOVWPKH-SPYBWZPUSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134944113 454614588 /nfs/dbraw/zinc/61/45/88/454614588.db2.gz UEWNXRZIOVWPKH-SPYBWZPUSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134944113 454614590 /nfs/dbraw/zinc/61/45/90/454614590.db2.gz UEWNXRZIOVWPKH-SPYBWZPUSA-N 2 2 345.462 3.101 20 0 EGADLP CSc1ccc(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123543213 454650080 /nfs/dbraw/zinc/65/00/80/454650080.db2.gz VACFYRTXNXOYGL-MRXNPFEDSA-N 2 2 345.512 3.476 20 0 EGADLP CSc1ccc(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123543213 454650087 /nfs/dbraw/zinc/65/00/87/454650087.db2.gz VACFYRTXNXOYGL-MRXNPFEDSA-N 2 2 345.512 3.476 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080959528 454658236 /nfs/dbraw/zinc/65/82/36/454658236.db2.gz BLJORUCNLQRLNA-MRXNPFEDSA-N 2 2 328.460 3.300 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080959528 454658241 /nfs/dbraw/zinc/65/82/41/454658241.db2.gz BLJORUCNLQRLNA-MRXNPFEDSA-N 2 2 328.460 3.300 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961658 454659509 /nfs/dbraw/zinc/65/95/09/454659509.db2.gz VIPJGDOBFZDYQH-KBPBESRZSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961658 454659515 /nfs/dbraw/zinc/65/95/15/454659515.db2.gz VIPJGDOBFZDYQH-KBPBESRZSA-N 2 2 344.484 3.338 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973426 454662873 /nfs/dbraw/zinc/66/28/73/454662873.db2.gz AUYDKKLLZOZRGH-QAPCUYQASA-N 2 2 340.471 3.029 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973426 454662877 /nfs/dbraw/zinc/66/28/77/454662877.db2.gz AUYDKKLLZOZRGH-QAPCUYQASA-N 2 2 340.471 3.029 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080989113 454667040 /nfs/dbraw/zinc/66/70/40/454667040.db2.gz UTKLREAJDUORLN-OLZOCXBDSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080989113 454667045 /nfs/dbraw/zinc/66/70/45/454667045.db2.gz UTKLREAJDUORLN-OLZOCXBDSA-N 2 2 332.835 3.270 20 0 EGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000093017073 454671917 /nfs/dbraw/zinc/67/19/17/454671917.db2.gz NBPZIDWVDISTQX-HNNXBMFYSA-N 2 2 332.419 3.116 20 0 EGADLP Fc1ccc2oc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000093017073 454671921 /nfs/dbraw/zinc/67/19/21/454671921.db2.gz NBPZIDWVDISTQX-HNNXBMFYSA-N 2 2 332.419 3.116 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)c1 ZINC000093079120 454678254 /nfs/dbraw/zinc/67/82/54/454678254.db2.gz URUOKUAKJQHKCV-PBHICJAKSA-N 2 2 327.428 3.129 20 0 EGADLP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)CC1 ZINC000106478783 454696363 /nfs/dbraw/zinc/69/63/63/454696363.db2.gz SETHPTLIFLWNPN-MRXNPFEDSA-N 2 2 344.890 3.104 20 0 EGADLP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)CC1 ZINC000106478783 454696367 /nfs/dbraw/zinc/69/63/67/454696367.db2.gz SETHPTLIFLWNPN-MRXNPFEDSA-N 2 2 344.890 3.104 20 0 EGADLP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)CC1 ZINC000106478786 454696654 /nfs/dbraw/zinc/69/66/54/454696654.db2.gz SETHPTLIFLWNPN-INIZCTEOSA-N 2 2 344.890 3.104 20 0 EGADLP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)CC1 ZINC000106478786 454696657 /nfs/dbraw/zinc/69/66/57/454696657.db2.gz SETHPTLIFLWNPN-INIZCTEOSA-N 2 2 344.890 3.104 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318331 454702418 /nfs/dbraw/zinc/70/24/18/454702418.db2.gz XHPHHPNACRYWHN-SJLPKXTDSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318331 454702421 /nfs/dbraw/zinc/70/24/21/454702421.db2.gz XHPHHPNACRYWHN-SJLPKXTDSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318331 454702423 /nfs/dbraw/zinc/70/24/23/454702423.db2.gz XHPHHPNACRYWHN-SJLPKXTDSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318331 454702427 /nfs/dbraw/zinc/70/24/27/454702427.db2.gz XHPHHPNACRYWHN-SJLPKXTDSA-N 2 2 328.456 3.257 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1C ZINC000161812858 454726630 /nfs/dbraw/zinc/72/66/30/454726630.db2.gz WOXCNQKBCYKSPG-FXAWDEMLSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1C ZINC000161812858 454726632 /nfs/dbraw/zinc/72/66/32/454726632.db2.gz WOXCNQKBCYKSPG-FXAWDEMLSA-N 2 2 339.483 3.399 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1N(C)C ZINC000152804636 454727747 /nfs/dbraw/zinc/72/77/47/454727747.db2.gz YSVRCOZQWCIHSO-CQSZACIVSA-N 2 2 330.451 3.318 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000124439845 454733559 /nfs/dbraw/zinc/73/35/59/454733559.db2.gz AKDRUKROZZMVJR-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000124439845 454733560 /nfs/dbraw/zinc/73/35/60/454733560.db2.gz AKDRUKROZZMVJR-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866258 454742266 /nfs/dbraw/zinc/74/22/66/454742266.db2.gz RIDPTGNHHJAUGC-KRWDZBQOSA-N 2 2 328.412 3.142 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866258 454742271 /nfs/dbraw/zinc/74/22/71/454742271.db2.gz RIDPTGNHHJAUGC-KRWDZBQOSA-N 2 2 328.412 3.142 20 0 EGADLP CC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136931986 454762162 /nfs/dbraw/zinc/76/21/62/454762162.db2.gz DFLPXCZKIOSMRZ-QGZVFWFLSA-N 2 2 344.421 3.373 20 0 EGADLP CC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136931986 454762165 /nfs/dbraw/zinc/76/21/65/454762165.db2.gz DFLPXCZKIOSMRZ-QGZVFWFLSA-N 2 2 344.421 3.373 20 0 EGADLP Fc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)c1 ZINC000635010970 460654430 /nfs/dbraw/zinc/65/44/30/460654430.db2.gz CCHMWQXTXBJPSQ-SFTDATJTSA-N 2 2 339.458 3.441 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)c1 ZINC000162663982 454791760 /nfs/dbraw/zinc/79/17/60/454791760.db2.gz JPXPWKOPWNKJDQ-NVXWUHKLSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)c1 ZINC000162663982 454791765 /nfs/dbraw/zinc/79/17/65/454791765.db2.gz JPXPWKOPWNKJDQ-NVXWUHKLSA-N 2 2 341.455 3.455 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000108370410 454795016 /nfs/dbraw/zinc/79/50/16/454795016.db2.gz OBBSFQVUFOHSFE-UHFFFAOYSA-N 2 2 341.293 3.290 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(F)cc1 ZINC000635013627 460655132 /nfs/dbraw/zinc/65/51/32/460655132.db2.gz ZVNOJVWFDJVPNX-CJNGLKHVSA-N 2 2 345.466 3.144 20 0 EGADLP CN(CCC[NH+]1CCCCC1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000125282860 454810760 /nfs/dbraw/zinc/81/07/60/454810760.db2.gz BOVXLEKXUQDPKV-UHFFFAOYSA-N 2 2 326.488 3.239 20 0 EGADLP CC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCOC1 ZINC000163035809 454818307 /nfs/dbraw/zinc/81/83/07/454818307.db2.gz DWFHGHXADLAEMF-IAGOWNOFSA-N 2 2 326.550 3.143 20 0 EGADLP Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000153681918 454820687 /nfs/dbraw/zinc/82/06/87/454820687.db2.gz OYRXANZZNKCVEK-QGZVFWFLSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000153681918 454820690 /nfs/dbraw/zinc/82/06/90/454820690.db2.gz OYRXANZZNKCVEK-QGZVFWFLSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000109792797 454837007 /nfs/dbraw/zinc/83/70/07/454837007.db2.gz ZSAMUCAYDFPIOQ-UHFFFAOYSA-N 2 2 332.835 3.121 20 0 EGADLP C[N@H+](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000177243302 454841561 /nfs/dbraw/zinc/84/15/61/454841561.db2.gz PNAAGRYOFCWBHI-UHFFFAOYSA-N 2 2 347.503 3.108 20 0 EGADLP C[N@@H+](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000177243302 454841566 /nfs/dbraw/zinc/84/15/66/454841566.db2.gz PNAAGRYOFCWBHI-UHFFFAOYSA-N 2 2 347.503 3.108 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nccn1C ZINC000182242104 455469364 /nfs/dbraw/zinc/46/93/64/455469364.db2.gz MRPLWHIATZDSEV-CQSZACIVSA-N 2 2 332.879 3.389 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150763810 454888216 /nfs/dbraw/zinc/88/82/16/454888216.db2.gz VGHMQIZIKYNABG-HZPDHXFCSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150763810 454888219 /nfs/dbraw/zinc/88/82/19/454888219.db2.gz VGHMQIZIKYNABG-HZPDHXFCSA-N 2 2 347.528 3.153 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000150853271 454902150 /nfs/dbraw/zinc/90/21/50/454902150.db2.gz REZSQGALKBBJHR-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000150853271 454902151 /nfs/dbraw/zinc/90/21/51/454902151.db2.gz REZSQGALKBBJHR-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177794723 454906011 /nfs/dbraw/zinc/90/60/11/454906011.db2.gz IAMFMMLEHRGWMO-SJLPKXTDSA-N 2 2 346.434 3.328 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCCOCCc3ccccc3)CC2)c1 ZINC000166085769 454907311 /nfs/dbraw/zinc/90/73/11/454907311.db2.gz IVIPVDYRTFWPFQ-UHFFFAOYSA-N 2 2 339.483 3.161 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151133106 454942730 /nfs/dbraw/zinc/94/27/30/454942730.db2.gz XPMSNNVEIRPXJY-OAHLLOKOSA-N 2 2 345.409 3.186 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151133106 454942733 /nfs/dbraw/zinc/94/27/33/454942733.db2.gz XPMSNNVEIRPXJY-OAHLLOKOSA-N 2 2 345.409 3.186 20 0 EGADLP COc1ncccc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000151155125 454945512 /nfs/dbraw/zinc/94/55/12/454945512.db2.gz GCBXBNFIFPAQGW-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200040 454946827 /nfs/dbraw/zinc/94/68/27/454946827.db2.gz SSOYROOVELRDKP-HZPDHXFCSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200040 454946829 /nfs/dbraw/zinc/94/68/29/454946829.db2.gz SSOYROOVELRDKP-HZPDHXFCSA-N 2 2 325.456 3.050 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000114198443 454947082 /nfs/dbraw/zinc/94/70/82/454947082.db2.gz OIWHQZVASXXUBP-SFHVURJKSA-N 2 2 337.467 3.322 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000114198443 454947083 /nfs/dbraw/zinc/94/70/83/454947083.db2.gz OIWHQZVASXXUBP-SFHVURJKSA-N 2 2 337.467 3.322 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000155174079 454971378 /nfs/dbraw/zinc/97/13/78/454971378.db2.gz NPQCASRWBYCWHY-MJKGWSOKSA-N 2 2 331.504 3.085 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000155174079 454971383 /nfs/dbraw/zinc/97/13/83/454971383.db2.gz NPQCASRWBYCWHY-MJKGWSOKSA-N 2 2 331.504 3.085 20 0 EGADLP c1cn2c(cccc2C[NH2+]CCCOc2cccc3cccnc32)[nH+]1 ZINC000179425491 455047242 /nfs/dbraw/zinc/04/72/42/455047242.db2.gz DJNLKWIKWYFESQ-UHFFFAOYSA-N 2 2 332.407 3.441 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(F)F)cc1OC(F)F ZINC000151951552 455052979 /nfs/dbraw/zinc/05/29/79/455052979.db2.gz WFOWXGONUIDMOY-SNVBAGLBSA-N 2 2 338.345 3.492 20 0 EGADLP C[C@@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000116336850 455053331 /nfs/dbraw/zinc/05/33/31/455053331.db2.gz GBMMHNGMWKZDSF-AWEZNQCLSA-N 2 2 343.862 3.363 20 0 EGADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116397334 455055041 /nfs/dbraw/zinc/05/50/41/455055041.db2.gz DFEJMKUTGISONK-KSSFIOAISA-N 2 2 347.503 3.172 20 0 EGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(F)ccc1F ZINC000116396253 455055107 /nfs/dbraw/zinc/05/51/07/455055107.db2.gz WDBWUOMSKGRLQE-WBMJQRKESA-N 2 2 341.446 3.248 20 0 EGADLP CN(Cc1cccc2[nH+]ccn21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179765919 455076191 /nfs/dbraw/zinc/07/61/91/455076191.db2.gz AUEMPQSDFVREDN-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP CN(Cc1cccc2[nH+]ccn21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000179765919 455076194 /nfs/dbraw/zinc/07/61/94/455076194.db2.gz AUEMPQSDFVREDN-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc([S@](C)=O)cc1 ZINC000156252546 455097990 /nfs/dbraw/zinc/09/79/90/455097990.db2.gz BHGDRHOGTLGWHV-OYLFLEFRSA-N 2 2 343.496 3.139 20 0 EGADLP Cc1cccn2c(C[NH2+]C(C)(C)C(=O)NCC3CCCCC3)c[nH+]c12 ZINC000129492278 455113580 /nfs/dbraw/zinc/11/35/80/455113580.db2.gz XSTAOLZMSATAFW-UHFFFAOYSA-N 2 2 342.487 3.207 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156423681 455116623 /nfs/dbraw/zinc/11/66/23/455116623.db2.gz KXFQIRLNHVJZEX-RLFYNMQTSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156423681 455116625 /nfs/dbraw/zinc/11/66/25/455116625.db2.gz KXFQIRLNHVJZEX-RLFYNMQTSA-N 2 2 344.434 3.241 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152444176 455120620 /nfs/dbraw/zinc/12/06/20/455120620.db2.gz KIPGHHJCINZDEG-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152444176 455120621 /nfs/dbraw/zinc/12/06/21/455120621.db2.gz KIPGHHJCINZDEG-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152444176 455120623 /nfs/dbraw/zinc/12/06/23/455120623.db2.gz KIPGHHJCINZDEG-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152444176 455120625 /nfs/dbraw/zinc/12/06/25/455120625.db2.gz KIPGHHJCINZDEG-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000156952892 455158488 /nfs/dbraw/zinc/15/84/88/455158488.db2.gz HXCXXJZYZPWEGE-XLIONFOSSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC000156952892 455158490 /nfs/dbraw/zinc/15/84/90/455158490.db2.gz HXCXXJZYZPWEGE-XLIONFOSSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156952892 455158491 /nfs/dbraw/zinc/15/84/91/455158491.db2.gz HXCXXJZYZPWEGE-XLIONFOSSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156952892 455158492 /nfs/dbraw/zinc/15/84/92/455158492.db2.gz HXCXXJZYZPWEGE-XLIONFOSSA-N 2 2 349.482 3.214 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000172650002 455168035 /nfs/dbraw/zinc/16/80/35/455168035.db2.gz ZJYDQJKVTCJZCT-PBHICJAKSA-N 2 2 342.405 3.157 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000172650002 455168041 /nfs/dbraw/zinc/16/80/41/455168041.db2.gz ZJYDQJKVTCJZCT-PBHICJAKSA-N 2 2 342.405 3.157 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523829 455189536 /nfs/dbraw/zinc/18/95/36/455189536.db2.gz YUFFVSQVXLKSDE-CQSZACIVSA-N 2 2 332.517 3.437 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523829 455189539 /nfs/dbraw/zinc/18/95/39/455189539.db2.gz YUFFVSQVXLKSDE-CQSZACIVSA-N 2 2 332.517 3.437 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523829 455189541 /nfs/dbraw/zinc/18/95/41/455189541.db2.gz YUFFVSQVXLKSDE-CQSZACIVSA-N 2 2 332.517 3.437 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523829 455189545 /nfs/dbraw/zinc/18/95/45/455189545.db2.gz YUFFVSQVXLKSDE-CQSZACIVSA-N 2 2 332.517 3.437 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157401983 455191220 /nfs/dbraw/zinc/19/12/20/455191220.db2.gz BMPQDUYEZNMJGS-AEFFLSMTSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157401983 455191226 /nfs/dbraw/zinc/19/12/26/455191226.db2.gz BMPQDUYEZNMJGS-AEFFLSMTSA-N 2 2 347.478 3.411 20 0 EGADLP C[C@@H]1CCN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000180563779 455198006 /nfs/dbraw/zinc/19/80/06/455198006.db2.gz BVHZIZGLKLFRRH-GOSISDBHSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@@H]1CCN(Cc2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000180563779 455198009 /nfs/dbraw/zinc/19/80/09/455198009.db2.gz BVHZIZGLKLFRRH-GOSISDBHSA-N 2 2 334.467 3.431 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccsc1 ZINC000264418137 455209673 /nfs/dbraw/zinc/20/96/73/455209673.db2.gz QKVVWBDYGXMMOA-LSDHHAIUSA-N 2 2 347.488 3.011 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061776 455282378 /nfs/dbraw/zinc/28/23/78/455282378.db2.gz YATXUJAQYRGXEL-CVEARBPZSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061776 455282379 /nfs/dbraw/zinc/28/23/79/455282379.db2.gz YATXUJAQYRGXEL-CVEARBPZSA-N 2 2 346.500 3.019 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000245445104 455302968 /nfs/dbraw/zinc/30/29/68/455302968.db2.gz YPECLSXJMDZULE-OTWHNJEPSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000245445104 455302972 /nfs/dbraw/zinc/30/29/72/455302972.db2.gz YPECLSXJMDZULE-OTWHNJEPSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000245445104 455302973 /nfs/dbraw/zinc/30/29/73/455302973.db2.gz YPECLSXJMDZULE-OTWHNJEPSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000245445104 455302975 /nfs/dbraw/zinc/30/29/75/455302975.db2.gz YPECLSXJMDZULE-OTWHNJEPSA-N 2 2 345.531 3.224 20 0 EGADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000265463533 455329660 /nfs/dbraw/zinc/32/96/60/455329660.db2.gz GIGJLDWSMPESEW-CYBMUJFWSA-N 2 2 342.443 3.008 20 0 EGADLP CC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174455254 455392579 /nfs/dbraw/zinc/39/25/79/455392579.db2.gz YVWMXAQXHQANAX-UHFFFAOYSA-N 2 2 331.504 3.140 20 0 EGADLP CC[N@@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000174455254 455392585 /nfs/dbraw/zinc/39/25/85/455392585.db2.gz YVWMXAQXHQANAX-UHFFFAOYSA-N 2 2 331.504 3.140 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246261238 455459427 /nfs/dbraw/zinc/45/94/27/455459427.db2.gz YRUFLEIHTJOMSG-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246261238 455459432 /nfs/dbraw/zinc/45/94/32/455459432.db2.gz YRUFLEIHTJOMSG-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1nccn1C ZINC000182505252 455528010 /nfs/dbraw/zinc/52/80/10/455528010.db2.gz DPPQCTSRPTTZDE-GOSISDBHSA-N 2 2 330.451 3.265 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246891931 455533438 /nfs/dbraw/zinc/53/34/38/455533438.db2.gz BOPHPUUDQAWIRA-HNAYVOBHSA-N 2 2 338.442 3.460 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246891931 455533442 /nfs/dbraw/zinc/53/34/42/455533442.db2.gz BOPHPUUDQAWIRA-HNAYVOBHSA-N 2 2 338.442 3.460 20 0 EGADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246914294 455535339 /nfs/dbraw/zinc/53/53/39/455535339.db2.gz GJUNSZMGMAOSSB-JTDSTZFVSA-N 2 2 329.488 3.193 20 0 EGADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246914294 455535343 /nfs/dbraw/zinc/53/53/43/455535343.db2.gz GJUNSZMGMAOSSB-JTDSTZFVSA-N 2 2 329.488 3.193 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038684 455549542 /nfs/dbraw/zinc/54/95/42/455549542.db2.gz RQTNHILIKPLAAK-ROUUACIJSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038684 455549546 /nfs/dbraw/zinc/54/95/46/455549546.db2.gz RQTNHILIKPLAAK-ROUUACIJSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038684 455549551 /nfs/dbraw/zinc/54/95/51/455549551.db2.gz RQTNHILIKPLAAK-ROUUACIJSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038684 455549555 /nfs/dbraw/zinc/54/95/55/455549555.db2.gz RQTNHILIKPLAAK-ROUUACIJSA-N 2 2 337.552 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000247194818 455571007 /nfs/dbraw/zinc/57/10/07/455571007.db2.gz ZQBPONGTPBEZQF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000247194818 455571009 /nfs/dbraw/zinc/57/10/09/455571009.db2.gz ZQBPONGTPBEZQF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000247194818 455571010 /nfs/dbraw/zinc/57/10/10/455571010.db2.gz ZQBPONGTPBEZQF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000247194818 455571012 /nfs/dbraw/zinc/57/10/12/455571012.db2.gz ZQBPONGTPBEZQF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247304323 455585773 /nfs/dbraw/zinc/58/57/73/455585773.db2.gz UXFFNSKHFAKTJC-UXLLHSPISA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247304323 455585777 /nfs/dbraw/zinc/58/57/77/455585777.db2.gz UXFFNSKHFAKTJC-UXLLHSPISA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247304323 455585780 /nfs/dbraw/zinc/58/57/80/455585780.db2.gz UXFFNSKHFAKTJC-UXLLHSPISA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247304323 455585783 /nfs/dbraw/zinc/58/57/83/455585783.db2.gz UXFFNSKHFAKTJC-UXLLHSPISA-N 2 2 347.528 3.152 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247335240 455589599 /nfs/dbraw/zinc/58/95/99/455589599.db2.gz VVUDTRHNGHJGBI-DYVFJYSZSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247335240 455589601 /nfs/dbraw/zinc/58/96/01/455589601.db2.gz VVUDTRHNGHJGBI-DYVFJYSZSA-N 2 2 346.862 3.367 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000192357449 455595622 /nfs/dbraw/zinc/59/56/22/455595622.db2.gz YFWOYNXQXNEJOY-IBGZPJMESA-N 2 2 346.421 3.346 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000192357449 455595626 /nfs/dbraw/zinc/59/56/26/455595626.db2.gz YFWOYNXQXNEJOY-IBGZPJMESA-N 2 2 346.421 3.346 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000271460633 455645261 /nfs/dbraw/zinc/64/52/61/455645261.db2.gz KALVMDZMJYWDIR-INIZCTEOSA-N 2 2 341.503 3.408 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)no1 ZINC000284250694 455657531 /nfs/dbraw/zinc/65/75/31/455657531.db2.gz VOHOBYKWINYDBJ-PXNSSMCTSA-N 2 2 342.487 3.012 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)no1 ZINC000284250694 455657540 /nfs/dbraw/zinc/65/75/40/455657540.db2.gz VOHOBYKWINYDBJ-PXNSSMCTSA-N 2 2 342.487 3.012 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000247971823 455663352 /nfs/dbraw/zinc/66/33/52/455663352.db2.gz HKUIMIKBIJFODI-WIYYLYMNSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000247971823 455663357 /nfs/dbraw/zinc/66/33/57/455663357.db2.gz HKUIMIKBIJFODI-WIYYLYMNSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277778905 455663889 /nfs/dbraw/zinc/66/38/89/455663889.db2.gz LUNILTVCMVJBFE-OAHLLOKOSA-N 2 2 343.500 3.022 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248137884 455686857 /nfs/dbraw/zinc/68/68/57/455686857.db2.gz PHVXYTSQLMKZJG-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248137884 455686865 /nfs/dbraw/zinc/68/68/65/455686865.db2.gz PHVXYTSQLMKZJG-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248137884 455686869 /nfs/dbraw/zinc/68/68/69/455686869.db2.gz PHVXYTSQLMKZJG-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248137884 455686877 /nfs/dbraw/zinc/68/68/77/455686877.db2.gz PHVXYTSQLMKZJG-RDBSUJKOSA-N 2 2 332.473 3.275 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000271576249 455690638 /nfs/dbraw/zinc/69/06/38/455690638.db2.gz ZWKRSJCUEIOKMN-NHYWBVRUSA-N 2 2 339.277 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000271576249 455690641 /nfs/dbraw/zinc/69/06/41/455690641.db2.gz ZWKRSJCUEIOKMN-NHYWBVRUSA-N 2 2 339.277 3.030 20 0 EGADLP CC[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)C(=O)OC ZINC000192831263 455701848 /nfs/dbraw/zinc/70/18/48/455701848.db2.gz BHMKXNKWDKXRCY-FQEVSTJZSA-N 2 2 340.467 3.456 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617807 455713216 /nfs/dbraw/zinc/71/32/16/455713216.db2.gz MNTODAQWNVUSKL-GDBMZVCRSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617807 455713222 /nfs/dbraw/zinc/71/32/22/455713222.db2.gz MNTODAQWNVUSKL-GDBMZVCRSA-N 2 2 334.460 3.243 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268893215 455720236 /nfs/dbraw/zinc/72/02/36/455720236.db2.gz KAGISRHQSYLXIS-CGTJXYLNSA-N 2 2 340.471 3.170 20 0 EGADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)oc2cc1C ZINC000268928313 455732967 /nfs/dbraw/zinc/73/29/67/455732967.db2.gz QDWUDSVPLVTBAY-RDJZCZTQSA-N 2 2 343.471 3.040 20 0 EGADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)oc2cc1C ZINC000268928313 455732969 /nfs/dbraw/zinc/73/29/69/455732969.db2.gz QDWUDSVPLVTBAY-RDJZCZTQSA-N 2 2 343.471 3.040 20 0 EGADLP CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271763053 455751166 /nfs/dbraw/zinc/75/11/66/455751166.db2.gz BPTQUTQUUNFFKO-UHFFFAOYSA-N 2 2 336.439 3.040 20 0 EGADLP CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000271763053 455751171 /nfs/dbraw/zinc/75/11/71/455751171.db2.gz BPTQUTQUUNFFKO-UHFFFAOYSA-N 2 2 336.439 3.040 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]CC3=CC[N@H+](C)CC3)cs2)cc1 ZINC000271766568 455752689 /nfs/dbraw/zinc/75/26/89/455752689.db2.gz AOIXEODTUOYGDV-UHFFFAOYSA-N 2 2 343.496 3.382 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]CC3=CC[N@@H+](C)CC3)cs2)cc1 ZINC000271766568 455752694 /nfs/dbraw/zinc/75/26/94/455752694.db2.gz AOIXEODTUOYGDV-UHFFFAOYSA-N 2 2 343.496 3.382 20 0 EGADLP CCC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000271800689 455765407 /nfs/dbraw/zinc/76/54/07/455765407.db2.gz LGPVZADRBFASRO-FQEVSTJZSA-N 2 2 346.515 3.405 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2([C@H](C)CCO)CCC2)n1-c1ccccc1 ZINC000271843999 455783693 /nfs/dbraw/zinc/78/36/93/455783693.db2.gz RLHLAUDPSXGCDG-MRXNPFEDSA-N 2 2 327.472 3.459 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000271855328 455788267 /nfs/dbraw/zinc/78/82/67/455788267.db2.gz XEEOXGOXONIRKE-LJQANCHMSA-N 2 2 330.472 3.071 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252129818 455802907 /nfs/dbraw/zinc/80/29/07/455802907.db2.gz KQEFONSPMPHPQJ-ZRNYENFQSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252129818 455802911 /nfs/dbraw/zinc/80/29/11/455802911.db2.gz KQEFONSPMPHPQJ-ZRNYENFQSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252129818 455802916 /nfs/dbraw/zinc/80/29/16/455802916.db2.gz KQEFONSPMPHPQJ-ZRNYENFQSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252129818 455802920 /nfs/dbraw/zinc/80/29/20/455802920.db2.gz KQEFONSPMPHPQJ-ZRNYENFQSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000252516407 455819047 /nfs/dbraw/zinc/81/90/47/455819047.db2.gz SJEXVULRRPFDKN-DMUMMCEESA-N 2 2 346.515 3.432 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000252644170 455825289 /nfs/dbraw/zinc/82/52/89/455825289.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@@H]1C ZINC000252644170 455825294 /nfs/dbraw/zinc/82/52/94/455825294.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000252644170 455825302 /nfs/dbraw/zinc/82/53/02/455825302.db2.gz NMLUFYRJVKJCHT-SVFBPWRDSA-N 3 2 344.547 3.146 20 0 EGADLP Cc1ccc2oc(N3CC[NH+](C4CC[NH+](C(C)C)CC4)CC3)nc2c1 ZINC000269325979 455835304 /nfs/dbraw/zinc/83/53/04/455835304.db2.gz KYUJKFOUCGAAJR-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)nc1 ZINC000272200371 455874901 /nfs/dbraw/zinc/87/49/01/455874901.db2.gz IXGWDJUOKGOHCL-BBRMVZONSA-N 2 2 345.878 3.443 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285582319 455875083 /nfs/dbraw/zinc/87/50/83/455875083.db2.gz UBPHOXJNMGVPCT-DFNIBXOVSA-N 2 2 343.515 3.480 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285582319 455875090 /nfs/dbraw/zinc/87/50/90/455875090.db2.gz UBPHOXJNMGVPCT-DFNIBXOVSA-N 2 2 343.515 3.480 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285582319 455875093 /nfs/dbraw/zinc/87/50/93/455875093.db2.gz UBPHOXJNMGVPCT-DFNIBXOVSA-N 2 2 343.515 3.480 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285582319 455875100 /nfs/dbraw/zinc/87/51/00/455875100.db2.gz UBPHOXJNMGVPCT-DFNIBXOVSA-N 2 2 343.515 3.480 20 0 EGADLP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000285611723 455881856 /nfs/dbraw/zinc/88/18/56/455881856.db2.gz KHJKHKQEQDDCSA-ACRUOGEOSA-N 3 2 338.499 3.164 20 0 EGADLP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000285611723 455881861 /nfs/dbraw/zinc/88/18/61/455881861.db2.gz KHJKHKQEQDDCSA-ACRUOGEOSA-N 3 2 338.499 3.164 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)C[C@@H]12 ZINC000261568782 455908723 /nfs/dbraw/zinc/90/87/23/455908723.db2.gz JKMMEKAQXOKHAU-MISXGVKJSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)C[C@@H]12 ZINC000261568782 455908727 /nfs/dbraw/zinc/90/87/27/455908727.db2.gz JKMMEKAQXOKHAU-MISXGVKJSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261673983 455926866 /nfs/dbraw/zinc/92/68/66/455926866.db2.gz GLMIEZGZNQKTIW-YVEFUNNKSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261673983 455926869 /nfs/dbraw/zinc/92/68/69/455926869.db2.gz GLMIEZGZNQKTIW-YVEFUNNKSA-N 2 2 334.851 3.046 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC(F)F ZINC000261683243 455928040 /nfs/dbraw/zinc/92/80/40/455928040.db2.gz KEANMWOGBLFYNZ-JKSUJKDBSA-N 2 2 348.393 3.223 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC(F)F ZINC000261683243 455928041 /nfs/dbraw/zinc/92/80/41/455928041.db2.gz KEANMWOGBLFYNZ-JKSUJKDBSA-N 2 2 348.393 3.223 20 0 EGADLP Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000296408765 455930698 /nfs/dbraw/zinc/93/06/98/455930698.db2.gz QSXHFMCKCWUCEN-MRXNPFEDSA-N 2 2 341.459 3.097 20 0 EGADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280264770 455930953 /nfs/dbraw/zinc/93/09/53/455930953.db2.gz QCFMBROLOSPTLS-CABCVRRESA-N 2 2 342.487 3.285 20 0 EGADLP COc1cc(C)nc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000270367994 455940137 /nfs/dbraw/zinc/94/01/37/455940137.db2.gz YUUQDMQXFCWFBX-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1cc(C)nc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000270367994 455940142 /nfs/dbraw/zinc/94/01/42/455940142.db2.gz YUUQDMQXFCWFBX-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1cc(C)nc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000270367994 455940146 /nfs/dbraw/zinc/94/01/46/455940146.db2.gz YUUQDMQXFCWFBX-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1cc(C)nc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000270367994 455940151 /nfs/dbraw/zinc/94/01/51/455940151.db2.gz YUUQDMQXFCWFBX-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP CC(C)n1nccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000280305594 455943118 /nfs/dbraw/zinc/94/31/18/455943118.db2.gz BNXWOAIFBLECAT-UHFFFAOYSA-N 2 2 327.476 3.376 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000272441589 455953072 /nfs/dbraw/zinc/95/30/72/455953072.db2.gz TXNLYLRPDIEPGE-JSGCOSHPSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000272441589 455953076 /nfs/dbraw/zinc/95/30/76/455953076.db2.gz TXNLYLRPDIEPGE-JSGCOSHPSA-N 2 2 335.249 3.124 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477029 455963724 /nfs/dbraw/zinc/96/37/24/455963724.db2.gz SJZPFFAKJMXCPB-SJLPKXTDSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477029 455963728 /nfs/dbraw/zinc/96/37/28/455963728.db2.gz SJZPFFAKJMXCPB-SJLPKXTDSA-N 2 2 338.455 3.422 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000195466925 455965136 /nfs/dbraw/zinc/96/51/36/455965136.db2.gz ASDPBKUMUOSEKW-GJZGRUSLSA-N 2 2 341.952 3.392 20 0 EGADLP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000188059648 455988876 /nfs/dbraw/zinc/98/88/76/455988876.db2.gz REHVFDWEIMOOSM-IBGZPJMESA-N 2 2 341.430 3.299 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286334370 456026869 /nfs/dbraw/zinc/02/68/69/456026869.db2.gz YAVIIMPUFRTNRD-DEYYWGMASA-N 2 2 332.488 3.016 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286334370 456026871 /nfs/dbraw/zinc/02/68/71/456026871.db2.gz YAVIIMPUFRTNRD-DEYYWGMASA-N 2 2 332.488 3.016 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2[nH+]1 ZINC000262362753 456028428 /nfs/dbraw/zinc/02/84/28/456028428.db2.gz KNGJDNBFLMNWLT-UHFFFAOYSA-N 2 2 343.456 3.116 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664230 456031284 /nfs/dbraw/zinc/03/12/84/456031284.db2.gz RZKULVXKHIEFDD-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664230 456031291 /nfs/dbraw/zinc/03/12/91/456031291.db2.gz RZKULVXKHIEFDD-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664230 456031295 /nfs/dbraw/zinc/03/12/95/456031295.db2.gz RZKULVXKHIEFDD-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664230 456031301 /nfs/dbraw/zinc/03/13/01/456031301.db2.gz RZKULVXKHIEFDD-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP CC[NH+](CC)Cc1ccc(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000188349712 456048288 /nfs/dbraw/zinc/04/82/88/456048288.db2.gz XHKDEUFMKXPRFU-UHFFFAOYSA-N 2 2 349.438 3.361 20 0 EGADLP C[C@@H](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000188451617 456065886 /nfs/dbraw/zinc/06/58/86/456065886.db2.gz MJICLTSRWWNHCZ-MAUKXSAKSA-N 2 2 330.451 3.492 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000271004670 456093482 /nfs/dbraw/zinc/09/34/82/456093482.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000271004670 456093487 /nfs/dbraw/zinc/09/34/87/456093487.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004670 456093491 /nfs/dbraw/zinc/09/34/91/456093491.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004670 456093497 /nfs/dbraw/zinc/09/34/97/456093497.db2.gz KWLJSHVKVJASGN-ROUUACIJSA-N 3 2 326.488 3.293 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301519145 456136040 /nfs/dbraw/zinc/13/60/40/456136040.db2.gz HFBZCYPFKOJZLD-GOEBONIOSA-N 2 2 336.443 3.100 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CCC[C@H]([NH+]4CCCC4)CC3)n2c1 ZINC000271182831 456159856 /nfs/dbraw/zinc/15/98/56/456159856.db2.gz ICSVXHRRAGWQPS-INIZCTEOSA-N 2 2 332.879 3.438 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000289896747 456173763 /nfs/dbraw/zinc/17/37/63/456173763.db2.gz XHCWZVCHXIAYEE-QGZVFWFLSA-N 2 2 333.476 3.312 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329116 456187078 /nfs/dbraw/zinc/18/70/78/456187078.db2.gz NUNJQKZXGBVIDL-DOTOQJQBSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329116 456187081 /nfs/dbraw/zinc/18/70/81/456187081.db2.gz NUNJQKZXGBVIDL-DOTOQJQBSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000289940891 456189265 /nfs/dbraw/zinc/18/92/65/456189265.db2.gz LMRRROJITHAJHN-IRXDYDNUSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996780 456210237 /nfs/dbraw/zinc/21/02/37/456210237.db2.gz KVUZURVYYHBMEE-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996780 456210240 /nfs/dbraw/zinc/21/02/40/456210240.db2.gz KVUZURVYYHBMEE-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996780 456210242 /nfs/dbraw/zinc/21/02/42/456210242.db2.gz KVUZURVYYHBMEE-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996780 456210245 /nfs/dbraw/zinc/21/02/45/456210245.db2.gz KVUZURVYYHBMEE-HKUYNNGSSA-N 2 2 326.488 3.213 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000297513837 456239628 /nfs/dbraw/zinc/23/96/28/456239628.db2.gz CSFFMGWTAKCZHC-PKOBYXMFSA-N 2 2 326.488 3.118 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000297513837 456239631 /nfs/dbraw/zinc/23/96/31/456239631.db2.gz CSFFMGWTAKCZHC-PKOBYXMFSA-N 2 2 326.488 3.118 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000290109570 456242553 /nfs/dbraw/zinc/24/25/53/456242553.db2.gz YGVWVNVUHDLDPS-GFCCVEGCSA-N 2 2 333.819 3.214 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000290109570 456242557 /nfs/dbraw/zinc/24/25/57/456242557.db2.gz YGVWVNVUHDLDPS-GFCCVEGCSA-N 2 2 333.819 3.214 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727785 456255042 /nfs/dbraw/zinc/25/50/42/456255042.db2.gz VQJBGDSUCYYFJN-KUHUBIRLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727785 456255046 /nfs/dbraw/zinc/25/50/46/456255046.db2.gz VQJBGDSUCYYFJN-KUHUBIRLSA-N 2 2 344.434 3.321 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000297594579 456260119 /nfs/dbraw/zinc/26/01/19/456260119.db2.gz FIZOIDWJFYDSGD-KRWDZBQOSA-N 2 2 337.427 3.240 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000297594579 456260124 /nfs/dbraw/zinc/26/01/24/456260124.db2.gz FIZOIDWJFYDSGD-KRWDZBQOSA-N 2 2 337.427 3.240 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320132 456290769 /nfs/dbraw/zinc/29/07/69/456290769.db2.gz CWOMTXWBLZEJMM-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320132 456290775 /nfs/dbraw/zinc/29/07/75/456290775.db2.gz CWOMTXWBLZEJMM-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)cc1F ZINC000290320132 456290779 /nfs/dbraw/zinc/29/07/79/456290779.db2.gz CWOMTXWBLZEJMM-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)cc1F ZINC000290320132 456290785 /nfs/dbraw/zinc/29/07/85/456290785.db2.gz CWOMTXWBLZEJMM-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2OCc2ccccc2)s1 ZINC000352759770 456281978 /nfs/dbraw/zinc/28/19/78/456281978.db2.gz LFNWLMNRPCEMIN-QZTJIDSGSA-N 2 2 345.512 3.432 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000342869559 456284345 /nfs/dbraw/zinc/28/43/45/456284345.db2.gz DIPHUSDPVJZEPH-UHFFFAOYSA-N 2 2 348.450 3.254 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000342869559 456284349 /nfs/dbraw/zinc/28/43/49/456284349.db2.gz DIPHUSDPVJZEPH-UHFFFAOYSA-N 2 2 348.450 3.254 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352765431 456287256 /nfs/dbraw/zinc/28/72/56/456287256.db2.gz KKJPTPWQRNCFSF-WBVHZDCISA-N 3 2 338.565 3.195 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190623 456302328 /nfs/dbraw/zinc/30/23/28/456302328.db2.gz IVLSKAJOSAJTHK-NHCUHLMSSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190623 456302334 /nfs/dbraw/zinc/30/23/34/456302334.db2.gz IVLSKAJOSAJTHK-NHCUHLMSSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000340195777 456306872 /nfs/dbraw/zinc/30/68/72/456306872.db2.gz GUWHZOBDCUIYRZ-ZJOUEHCJSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000340195777 456306880 /nfs/dbraw/zinc/30/68/80/456306880.db2.gz GUWHZOBDCUIYRZ-ZJOUEHCJSA-N 2 2 349.478 3.217 20 0 EGADLP COc1ncccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336790993 456308719 /nfs/dbraw/zinc/30/87/19/456308719.db2.gz MLPKVWVTTJSPTA-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336790993 456308722 /nfs/dbraw/zinc/30/87/22/456308722.db2.gz MLPKVWVTTJSPTA-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336790993 456308726 /nfs/dbraw/zinc/30/87/26/456308726.db2.gz MLPKVWVTTJSPTA-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336790993 456308731 /nfs/dbraw/zinc/30/87/31/456308731.db2.gz MLPKVWVTTJSPTA-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP C[NH+](C)CCOc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297871451 456314065 /nfs/dbraw/zinc/31/40/65/456314065.db2.gz PUVXRNDHFVAIIY-UHFFFAOYSA-N 3 2 340.471 3.103 20 0 EGADLP C[C@@H](COc1ccc(F)cc1F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352812724 456330296 /nfs/dbraw/zinc/33/02/96/456330296.db2.gz HHJDDLZFSVAYSI-NSHDSACASA-N 2 2 341.427 3.040 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000297997065 456339266 /nfs/dbraw/zinc/33/92/66/456339266.db2.gz ZGHVXJJRXCRZSX-AZUAARDMSA-N 2 2 327.472 3.331 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000297997065 456339272 /nfs/dbraw/zinc/33/92/72/456339272.db2.gz ZGHVXJJRXCRZSX-AZUAARDMSA-N 2 2 327.472 3.331 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290501532 456346698 /nfs/dbraw/zinc/34/66/98/456346698.db2.gz WPETYZUOFGVYHD-RLFYNMQTSA-N 2 2 345.512 3.197 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290501532 456346703 /nfs/dbraw/zinc/34/67/03/456346703.db2.gz WPETYZUOFGVYHD-RLFYNMQTSA-N 2 2 345.512 3.197 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000352830722 456346823 /nfs/dbraw/zinc/34/68/23/456346823.db2.gz VAFMDEYAFYXKHA-IBGZPJMESA-N 2 2 338.480 3.479 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000298050756 456353538 /nfs/dbraw/zinc/35/35/38/456353538.db2.gz IRVSVRCLONKNRJ-OAHLLOKOSA-N 2 2 332.517 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000298050756 456353543 /nfs/dbraw/zinc/35/35/43/456353543.db2.gz IRVSVRCLONKNRJ-OAHLLOKOSA-N 2 2 332.517 3.498 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531072 456356577 /nfs/dbraw/zinc/35/65/77/456356577.db2.gz QSNNUYCEUDOPQF-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531072 456356582 /nfs/dbraw/zinc/35/65/82/456356582.db2.gz QSNNUYCEUDOPQF-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)ccc1Br ZINC000290531072 456356587 /nfs/dbraw/zinc/35/65/87/456356587.db2.gz QSNNUYCEUDOPQF-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)ccc1Br ZINC000290531072 456356592 /nfs/dbraw/zinc/35/65/92/456356592.db2.gz QSNNUYCEUDOPQF-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)c(C)o1 ZINC000340278041 456357454 /nfs/dbraw/zinc/35/74/54/456357454.db2.gz XFWLRQRQHLZTCK-BEFAXECRSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)c(C)o1 ZINC000340278041 456357464 /nfs/dbraw/zinc/35/74/64/456357464.db2.gz XFWLRQRQHLZTCK-BEFAXECRSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)c(C)o1 ZINC000340278044 456358259 /nfs/dbraw/zinc/35/82/59/456358259.db2.gz XFWLRQRQHLZTCK-HNAYVOBHSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)c(C)o1 ZINC000340278044 456358264 /nfs/dbraw/zinc/35/82/64/456358264.db2.gz XFWLRQRQHLZTCK-HNAYVOBHSA-N 2 2 327.472 3.477 20 0 EGADLP c1ccc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000347802598 456374813 /nfs/dbraw/zinc/37/48/13/456374813.db2.gz WELVWEDVSJCKGN-UHFFFAOYSA-N 2 2 336.439 3.050 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000298191440 456386101 /nfs/dbraw/zinc/38/61/01/456386101.db2.gz WXAWMYKGMWYHEQ-UHFFFAOYSA-N 2 2 344.406 3.318 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000352909127 456406544 /nfs/dbraw/zinc/40/65/44/456406544.db2.gz YHLGITURAMCEMH-GFCCVEGCSA-N 2 2 339.270 3.361 20 0 EGADLP COc1ccccc1[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347862744 456412469 /nfs/dbraw/zinc/41/24/69/456412469.db2.gz WUNQJZVTOYIBSZ-AWEZNQCLSA-N 2 2 331.485 3.203 20 0 EGADLP NC(=O)c1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000337619257 456429946 /nfs/dbraw/zinc/42/99/46/456429946.db2.gz DMMIGEQPOMGDBN-UHFFFAOYSA-N 2 2 346.434 3.136 20 0 EGADLP NC(=O)c1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000337619257 456429953 /nfs/dbraw/zinc/42/99/53/456429953.db2.gz DMMIGEQPOMGDBN-UHFFFAOYSA-N 2 2 346.434 3.136 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CCCC2 ZINC000340391190 456432923 /nfs/dbraw/zinc/43/29/23/456432923.db2.gz RZPRLHFWLPSOIE-YLJYHZDGSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CCCC2 ZINC000340391190 456432927 /nfs/dbraw/zinc/43/29/27/456432927.db2.gz RZPRLHFWLPSOIE-YLJYHZDGSA-N 2 2 338.499 3.224 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156294 456439842 /nfs/dbraw/zinc/43/98/42/456439842.db2.gz BAAFLXOAMZMJTP-CZUORRHYSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156294 456439845 /nfs/dbraw/zinc/43/98/45/456439845.db2.gz BAAFLXOAMZMJTP-CZUORRHYSA-N 2 2 330.394 3.195 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266422 456460392 /nfs/dbraw/zinc/46/03/92/456460392.db2.gz AFWMMOWSBXCPOH-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266422 456460397 /nfs/dbraw/zinc/46/03/97/456460397.db2.gz AFWMMOWSBXCPOH-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454537 456520170 /nfs/dbraw/zinc/52/01/70/456520170.db2.gz OBEUHJIRTKQTNO-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454537 456520175 /nfs/dbraw/zinc/52/01/75/456520175.db2.gz OBEUHJIRTKQTNO-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000291092604 456526339 /nfs/dbraw/zinc/52/63/39/456526339.db2.gz YABGOZYDCSJDFC-UHFFFAOYSA-N 2 2 346.496 3.409 20 0 EGADLP CC(C)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679122 456549203 /nfs/dbraw/zinc/54/92/03/456549203.db2.gz VWGAVSFFFAWCNK-ROUUACIJSA-N 2 2 340.471 3.135 20 0 EGADLP CC(C)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679122 456549207 /nfs/dbraw/zinc/54/92/07/456549207.db2.gz VWGAVSFFFAWCNK-ROUUACIJSA-N 2 2 340.471 3.135 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000340597674 456558293 /nfs/dbraw/zinc/55/82/93/456558293.db2.gz IOHSXLLXAUBTJR-UHFFFAOYSA-N 2 2 326.488 3.407 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000340597674 456558298 /nfs/dbraw/zinc/55/82/98/456558298.db2.gz IOHSXLLXAUBTJR-UHFFFAOYSA-N 2 2 326.488 3.407 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)c(Br)c1)C2 ZINC000311536023 456589704 /nfs/dbraw/zinc/58/97/04/456589704.db2.gz GGQGBAIWBXGKMT-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)c(Br)c1)C2 ZINC000311536023 456589709 /nfs/dbraw/zinc/58/97/09/456589709.db2.gz GGQGBAIWBXGKMT-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP CC(=O)NC1CCC([NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)CC1 ZINC000291342599 456613186 /nfs/dbraw/zinc/61/31/86/456613186.db2.gz WDXVVPRHYAJZEA-UHFFFAOYSA-N 2 2 326.444 3.348 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000348309378 456613632 /nfs/dbraw/zinc/61/36/32/456613632.db2.gz GFDMHKUGTYHGRP-IAGOWNOFSA-N 2 2 333.524 3.073 20 0 EGADLP Cc1ncc(C[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348325813 456624102 /nfs/dbraw/zinc/62/41/02/456624102.db2.gz WPJLLGCKMLPPKT-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1ncc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348325813 456624109 /nfs/dbraw/zinc/62/41/09/456624109.db2.gz WPJLLGCKMLPPKT-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c[nH+]1 ZINC000353364142 456648765 /nfs/dbraw/zinc/64/87/65/456648765.db2.gz OKYKLMUVUXQOFW-UHFFFAOYSA-N 2 2 343.515 3.437 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c[nH+]1 ZINC000353364142 456648772 /nfs/dbraw/zinc/64/87/72/456648772.db2.gz OKYKLMUVUXQOFW-UHFFFAOYSA-N 2 2 343.515 3.437 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000338186194 456691607 /nfs/dbraw/zinc/69/16/07/456691607.db2.gz NDIQMUFLDFTMCG-SJLPKXTDSA-N 2 2 325.456 3.225 20 0 EGADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000283026583 456693432 /nfs/dbraw/zinc/69/34/32/456693432.db2.gz PVTFRXOPVBLSSY-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000283026583 456693435 /nfs/dbraw/zinc/69/34/35/456693435.db2.gz PVTFRXOPVBLSSY-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP Cn1nccc1-c1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353503399 456721077 /nfs/dbraw/zinc/72/10/77/456721077.db2.gz INNNFSZLICHIMK-UHFFFAOYSA-N 2 2 344.422 3.339 20 0 EGADLP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000291698241 456725298 /nfs/dbraw/zinc/72/52/98/456725298.db2.gz ANOFLJOHIDDVPI-MRXNPFEDSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348538756 456748859 /nfs/dbraw/zinc/74/88/59/456748859.db2.gz GGPDSJHYPBCPJV-YESZJQIVSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348538756 456748864 /nfs/dbraw/zinc/74/88/64/456748864.db2.gz GGPDSJHYPBCPJV-YESZJQIVSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000299638391 456750759 /nfs/dbraw/zinc/75/07/59/456750759.db2.gz XTFDGFMPPGUPED-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000299638391 456750765 /nfs/dbraw/zinc/75/07/65/456750765.db2.gz XTFDGFMPPGUPED-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc(-n2cccn2)c1 ZINC000353552983 456754860 /nfs/dbraw/zinc/75/48/60/456754860.db2.gz AIVZGDFQKDVGAV-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc(-n2cccn2)c1 ZINC000353552983 456754868 /nfs/dbraw/zinc/75/48/68/456754868.db2.gz AIVZGDFQKDVGAV-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1cccc(-n2cccn2)c1)Cc1ccco1 ZINC000353552983 456754874 /nfs/dbraw/zinc/75/48/74/456754874.db2.gz AIVZGDFQKDVGAV-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1cccc(-n2cccn2)c1)Cc1ccco1 ZINC000353552983 456754877 /nfs/dbraw/zinc/75/48/77/456754877.db2.gz AIVZGDFQKDVGAV-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000277316812 456775311 /nfs/dbraw/zinc/77/53/11/456775311.db2.gz BYAPSCUEWOUURN-KRWDZBQOSA-N 2 2 332.879 3.442 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000277316812 456775317 /nfs/dbraw/zinc/77/53/17/456775317.db2.gz BYAPSCUEWOUURN-KRWDZBQOSA-N 2 2 332.879 3.442 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1C ZINC000341085424 456815588 /nfs/dbraw/zinc/81/55/88/456815588.db2.gz BBZHCSLSQGOVTG-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1C ZINC000341085424 456815592 /nfs/dbraw/zinc/81/55/92/456815592.db2.gz BBZHCSLSQGOVTG-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1C ZINC000341085424 456815598 /nfs/dbraw/zinc/81/55/98/456815598.db2.gz BBZHCSLSQGOVTG-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1C ZINC000341085424 456815600 /nfs/dbraw/zinc/81/56/00/456815600.db2.gz BBZHCSLSQGOVTG-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000301238838 456830363 /nfs/dbraw/zinc/83/03/63/456830363.db2.gz FEGVQQUKSXZNHF-CQSZACIVSA-N 2 2 325.460 3.299 20 0 EGADLP CCOC(=O)[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000353653108 456833220 /nfs/dbraw/zinc/83/32/20/456833220.db2.gz SJPFAKCTPUPCPS-FQEVSTJZSA-N 2 2 338.451 3.485 20 0 EGADLP CCOC(=O)[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)Cc2ccccc21 ZINC000353653108 456833225 /nfs/dbraw/zinc/83/32/25/456833225.db2.gz SJPFAKCTPUPCPS-FQEVSTJZSA-N 2 2 338.451 3.485 20 0 EGADLP COCCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000341317216 456843976 /nfs/dbraw/zinc/84/39/76/456843976.db2.gz VBPWWZXJPDEJOE-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000344810664 456863357 /nfs/dbraw/zinc/86/33/57/456863357.db2.gz HSFOKAHGSMLKQD-QAPCUYQASA-N 2 2 336.476 3.365 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341513099 456872038 /nfs/dbraw/zinc/87/20/38/456872038.db2.gz UFLPFDFLDQAKRX-OALUTQOASA-N 3 2 344.547 3.004 20 0 EGADLP c1cn(Cc2ccc(NC3CC[NH+](Cc4ccccc4)CC3)nc2)c[nH+]1 ZINC000348833631 456876661 /nfs/dbraw/zinc/87/66/61/456876661.db2.gz NVFMGHGKMGNSFV-UHFFFAOYSA-N 2 2 347.466 3.403 20 0 EGADLP c1cn(Cc2ccc(NC3CC[NH+](Cc4ccccc4)CC3)[nH+]c2)c[nH+]1 ZINC000348833631 456876662 /nfs/dbraw/zinc/87/66/62/456876662.db2.gz NVFMGHGKMGNSFV-UHFFFAOYSA-N 3 2 347.466 3.403 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353791930 456908340 /nfs/dbraw/zinc/90/83/40/456908340.db2.gz GRBHOZZLDNCQJF-UCLAIMLFSA-N 2 2 340.471 3.216 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068694 456926285 /nfs/dbraw/zinc/92/62/85/456926285.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068694 456926289 /nfs/dbraw/zinc/92/62/89/456926289.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068694 456926293 /nfs/dbraw/zinc/92/62/93/456926293.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068694 456926296 /nfs/dbraw/zinc/92/62/96/456926296.db2.gz PCZRTEFDUFUASO-HZEGPAAWSA-N 3 2 327.516 3.113 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000341788538 456945108 /nfs/dbraw/zinc/94/51/08/456945108.db2.gz BRMCJJVGAKBAKZ-PMACEKPBSA-N 2 2 343.515 3.117 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000341788538 456945110 /nfs/dbraw/zinc/94/51/10/456945110.db2.gz BRMCJJVGAKBAKZ-PMACEKPBSA-N 2 2 343.515 3.117 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(Cl)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349333839 456945958 /nfs/dbraw/zinc/94/59/58/456945958.db2.gz RSTXXVQOQMFCNY-ZDUSSCGKSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349333839 456945962 /nfs/dbraw/zinc/94/59/62/456945962.db2.gz RSTXXVQOQMFCNY-ZDUSSCGKSA-N 2 2 327.925 3.002 20 0 EGADLP COCCc1cc[nH+]c(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)c1 ZINC000353884244 456950465 /nfs/dbraw/zinc/95/04/65/456950465.db2.gz WPDFFHPWHJJVKS-KRWDZBQOSA-N 2 2 326.375 3.334 20 0 EGADLP CCc1cc(NCC[N@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000345188744 456960409 /nfs/dbraw/zinc/96/04/09/456960409.db2.gz QJLMXGXGAGNPPV-UHFFFAOYSA-N 2 2 347.466 3.067 20 0 EGADLP CCc1cc(NCC[N@@H+](C)Cc2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000345188744 456960411 /nfs/dbraw/zinc/96/04/11/456960411.db2.gz QJLMXGXGAGNPPV-UHFFFAOYSA-N 2 2 347.466 3.067 20 0 EGADLP c1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2cncnc2)cc1 ZINC000349444016 456968949 /nfs/dbraw/zinc/96/89/49/456968949.db2.gz BPKOOJNPMZMPDY-FQEVSTJZSA-N 2 2 333.439 3.443 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1C ZINC000353933736 456970542 /nfs/dbraw/zinc/97/05/42/456970542.db2.gz QQDTTZWCHKDFQN-BTHPGYMESA-N 2 2 344.499 3.391 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353945827 456975279 /nfs/dbraw/zinc/97/52/79/456975279.db2.gz SDTSQOKPUBBCBY-SCCNAQOGSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353945827 456975281 /nfs/dbraw/zinc/97/52/81/456975281.db2.gz SDTSQOKPUBBCBY-SCCNAQOGSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000353947146 456975957 /nfs/dbraw/zinc/97/59/57/456975957.db2.gz XOALDUJFAAHUKC-UHFFFAOYSA-N 2 2 343.471 3.446 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354026388 457018945 /nfs/dbraw/zinc/01/89/45/457018945.db2.gz SIMCATVRSKEXAQ-GOEBONIOSA-N 2 2 331.441 3.043 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354026388 457018950 /nfs/dbraw/zinc/01/89/50/457018950.db2.gz SIMCATVRSKEXAQ-GOEBONIOSA-N 2 2 331.441 3.043 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106703 457066095 /nfs/dbraw/zinc/06/60/95/457066095.db2.gz KXLMRDFXVRPREZ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106703 457066102 /nfs/dbraw/zinc/06/61/02/457066102.db2.gz KXLMRDFXVRPREZ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106703 457066106 /nfs/dbraw/zinc/06/61/06/457066106.db2.gz KXLMRDFXVRPREZ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106703 457066113 /nfs/dbraw/zinc/06/61/13/457066113.db2.gz KXLMRDFXVRPREZ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)[C@@H](C)C1 ZINC000346595778 457067630 /nfs/dbraw/zinc/06/76/30/457067630.db2.gz DFYKUQVXVYKDNS-QWHCGFSZSA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)[C@@H](C)C1 ZINC000346595778 457067637 /nfs/dbraw/zinc/06/76/37/457067637.db2.gz DFYKUQVXVYKDNS-QWHCGFSZSA-N 2 2 331.913 3.023 20 0 EGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000354125349 457080594 /nfs/dbraw/zinc/08/05/94/457080594.db2.gz QXUTUAWFIHTONR-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000354125349 457080598 /nfs/dbraw/zinc/08/05/98/457080598.db2.gz QXUTUAWFIHTONR-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)n1cc[nH+]c1CN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000342087922 457101018 /nfs/dbraw/zinc/10/10/18/457101018.db2.gz CAOSGUMKFPRVJC-HNNXBMFYSA-N 2 2 345.516 3.065 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354168193 457105556 /nfs/dbraw/zinc/10/55/56/457105556.db2.gz VXZOQLWMTHCQON-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354168193 457105563 /nfs/dbraw/zinc/10/55/63/457105563.db2.gz VXZOQLWMTHCQON-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354168193 457105569 /nfs/dbraw/zinc/10/55/69/457105569.db2.gz VXZOQLWMTHCQON-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354168193 457105575 /nfs/dbraw/zinc/10/55/75/457105575.db2.gz VXZOQLWMTHCQON-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000356666722 457110696 /nfs/dbraw/zinc/11/06/96/457110696.db2.gz APJMAKZDHWJIAG-PXNSSMCTSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000356666722 457110702 /nfs/dbraw/zinc/11/07/02/457110702.db2.gz APJMAKZDHWJIAG-PXNSSMCTSA-N 2 2 327.472 3.442 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342113314 457114878 /nfs/dbraw/zinc/11/48/78/457114878.db2.gz GPEYZMUSIQCCHL-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342113314 457114881 /nfs/dbraw/zinc/11/48/81/457114881.db2.gz GPEYZMUSIQCCHL-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433771 457115862 /nfs/dbraw/zinc/11/58/62/457115862.db2.gz DLGALOLSWJZGAF-OCCSQVGLSA-N 2 2 338.879 3.115 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433771 457115866 /nfs/dbraw/zinc/11/58/66/457115866.db2.gz DLGALOLSWJZGAF-OCCSQVGLSA-N 2 2 338.879 3.115 20 0 EGADLP [NH3+]C1(C[NH2+]CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCC1 ZINC000342140855 457132129 /nfs/dbraw/zinc/13/21/29/457132129.db2.gz QYOAEWBDOOAXCN-UHFFFAOYSA-N 2 2 336.650 3.056 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211004 457133275 /nfs/dbraw/zinc/13/32/75/457133275.db2.gz VFDRNNWSCIVMLQ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211004 457133280 /nfs/dbraw/zinc/13/32/80/457133280.db2.gz VFDRNNWSCIVMLQ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211004 457133289 /nfs/dbraw/zinc/13/32/89/457133289.db2.gz VFDRNNWSCIVMLQ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211004 457133293 /nfs/dbraw/zinc/13/32/93/457133293.db2.gz VFDRNNWSCIVMLQ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211009 457133315 /nfs/dbraw/zinc/13/33/15/457133315.db2.gz VFDRNNWSCIVMLQ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211009 457133321 /nfs/dbraw/zinc/13/33/21/457133321.db2.gz VFDRNNWSCIVMLQ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211009 457133326 /nfs/dbraw/zinc/13/33/26/457133326.db2.gz VFDRNNWSCIVMLQ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@H]1C ZINC000354211009 457133333 /nfs/dbraw/zinc/13/33/33/457133333.db2.gz VFDRNNWSCIVMLQ-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000362919535 457155224 /nfs/dbraw/zinc/15/52/24/457155224.db2.gz VPTRKDMBCVKSQX-RDTXWAMCSA-N 2 2 328.391 3.050 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045457 457200891 /nfs/dbraw/zinc/20/08/91/457200891.db2.gz NSBKPFUBNHMFMS-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045457 457200896 /nfs/dbraw/zinc/20/08/96/457200896.db2.gz NSBKPFUBNHMFMS-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342304416 457226039 /nfs/dbraw/zinc/22/60/39/457226039.db2.gz IGBRURZVGJJCEJ-PXNSSMCTSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342304416 457226043 /nfs/dbraw/zinc/22/60/43/457226043.db2.gz IGBRURZVGJJCEJ-PXNSSMCTSA-N 2 2 338.499 3.290 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1OC ZINC000342313252 457230873 /nfs/dbraw/zinc/23/08/73/457230873.db2.gz ZBGZTNHJPUEUGC-CYBMUJFWSA-N 2 2 349.500 3.381 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347108607 457233285 /nfs/dbraw/zinc/23/32/85/457233285.db2.gz OVEOVPFXKCXEOH-UHFFFAOYSA-N 2 2 328.435 3.180 20 0 EGADLP CCCOc1c(Br)cc(C[N@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000347127292 457244436 /nfs/dbraw/zinc/24/44/36/457244436.db2.gz YXHPFVQPSOWEMG-LLVKDONJSA-N 2 2 345.281 3.026 20 0 EGADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C[NH3+])cc1OC ZINC000347127292 457244441 /nfs/dbraw/zinc/24/44/41/457244441.db2.gz YXHPFVQPSOWEMG-LLVKDONJSA-N 2 2 345.281 3.026 20 0 EGADLP Cc1cnc([C@@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000357000875 457267444 /nfs/dbraw/zinc/26/74/44/457267444.db2.gz LYJGSQWFTKCYIK-QGZVFWFLSA-N 3 2 348.535 3.172 20 0 EGADLP Cc1cnc([C@@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000357000875 457267448 /nfs/dbraw/zinc/26/74/48/457267448.db2.gz LYJGSQWFTKCYIK-QGZVFWFLSA-N 3 2 348.535 3.172 20 0 EGADLP CC(C)C[C@@H](CN[C@H](c1[nH+]ccn1C)c1cccc(F)c1)[NH+](C)C ZINC000357003702 457269469 /nfs/dbraw/zinc/26/94/69/457269469.db2.gz ZUYUCQIMKPLZCV-ROUUACIJSA-N 2 2 332.467 3.215 20 0 EGADLP Cc1[nH+]ccc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1Cl ZINC000357011342 457275173 /nfs/dbraw/zinc/27/51/73/457275173.db2.gz NSJDAEXTKMGVIC-ROUUACIJSA-N 2 2 343.858 3.133 20 0 EGADLP Cc1[nH+]ccc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1Cl ZINC000357011342 457275177 /nfs/dbraw/zinc/27/51/77/457275177.db2.gz NSJDAEXTKMGVIC-ROUUACIJSA-N 2 2 343.858 3.133 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000347197655 457284143 /nfs/dbraw/zinc/28/41/43/457284143.db2.gz HWBLRYVYHAYPEE-VHSXEESVSA-N 2 2 333.295 3.078 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Br ZINC000347197655 457284145 /nfs/dbraw/zinc/28/41/45/457284145.db2.gz HWBLRYVYHAYPEE-VHSXEESVSA-N 2 2 333.295 3.078 20 0 EGADLP COC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000342407764 457286517 /nfs/dbraw/zinc/28/65/17/457286517.db2.gz BIZDAGVRAMORGC-HNNXBMFYSA-N 2 2 339.892 3.335 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820611 457290424 /nfs/dbraw/zinc/29/04/24/457290424.db2.gz USLLNPOLDWGSNV-XLIONFOSSA-N 2 2 326.488 3.236 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820611 457290431 /nfs/dbraw/zinc/29/04/31/457290431.db2.gz USLLNPOLDWGSNV-XLIONFOSSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820611 457290436 /nfs/dbraw/zinc/29/04/36/457290436.db2.gz USLLNPOLDWGSNV-XLIONFOSSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820611 457290444 /nfs/dbraw/zinc/29/04/44/457290444.db2.gz USLLNPOLDWGSNV-XLIONFOSSA-N 2 2 326.488 3.236 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(c3noc(C4CC4)n3)CC2)c[nH+]1 ZINC000354671665 457307182 /nfs/dbraw/zinc/30/71/82/457307182.db2.gz WUHUHDGIFQMNQE-UHFFFAOYSA-N 2 2 326.444 3.463 20 0 EGADLP Cc1cnc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439118 457367206 /nfs/dbraw/zinc/36/72/06/457367206.db2.gz JUSRLTWYPWBIFR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439118 457367210 /nfs/dbraw/zinc/36/72/10/457367210.db2.gz JUSRLTWYPWBIFR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439118 457367214 /nfs/dbraw/zinc/36/72/14/457367214.db2.gz JUSRLTWYPWBIFR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439118 457367220 /nfs/dbraw/zinc/36/72/20/457367220.db2.gz JUSRLTWYPWBIFR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Br)cn1 ZINC000355518930 457383702 /nfs/dbraw/zinc/38/37/02/457383702.db2.gz UGHRNFNRESMNQA-LLVKDONJSA-N 2 2 331.217 3.343 20 0 EGADLP CC(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352458483 457384755 /nfs/dbraw/zinc/38/47/55/457384755.db2.gz LBGDSLJMXDPVRN-UHFFFAOYSA-N 2 2 326.238 3.397 20 0 EGADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352458483 457384764 /nfs/dbraw/zinc/38/47/64/457384764.db2.gz LBGDSLJMXDPVRN-UHFFFAOYSA-N 2 2 326.238 3.397 20 0 EGADLP CCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360883621 457406891 /nfs/dbraw/zinc/40/68/91/457406891.db2.gz OIUUQVBRUNGMAQ-PXNSSMCTSA-N 2 2 345.531 3.232 20 0 EGADLP CCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360883621 457406896 /nfs/dbraw/zinc/40/68/96/457406896.db2.gz OIUUQVBRUNGMAQ-PXNSSMCTSA-N 2 2 345.531 3.232 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[C@H]1C ZINC000352518371 457434225 /nfs/dbraw/zinc/43/42/25/457434225.db2.gz HNZYNVMWTHRLCZ-HHUCQEJWSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[C@H]1C ZINC000352518371 457434231 /nfs/dbraw/zinc/43/42/31/457434231.db2.gz HNZYNVMWTHRLCZ-HHUCQEJWSA-N 2 2 344.499 3.217 20 0 EGADLP Clc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000390704613 457439318 /nfs/dbraw/zinc/43/93/18/457439318.db2.gz USRJKHTVNJNYNG-KRWDZBQOSA-N 2 2 334.847 3.314 20 0 EGADLP Clc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000390704613 457439323 /nfs/dbraw/zinc/43/93/23/457439323.db2.gz USRJKHTVNJNYNG-KRWDZBQOSA-N 2 2 334.847 3.314 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352540835 457451554 /nfs/dbraw/zinc/45/15/54/457451554.db2.gz QDJGHNSRHKBLRY-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352540835 457451559 /nfs/dbraw/zinc/45/15/59/457451559.db2.gz QDJGHNSRHKBLRY-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)n1C ZINC000425348758 457511041 /nfs/dbraw/zinc/51/10/41/457511041.db2.gz ZVNMCVOTWBQAGO-UHFFFAOYSA-N 2 2 330.863 3.429 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)n1C ZINC000425348758 457511047 /nfs/dbraw/zinc/51/10/47/457511047.db2.gz ZVNMCVOTWBQAGO-UHFFFAOYSA-N 2 2 330.863 3.429 20 0 EGADLP CCc1nc(N(CC[NH+](CC)CC)CCC(F)(F)F)cc(C)[nH+]1 ZINC000342782935 457523561 /nfs/dbraw/zinc/52/35/61/457523561.db2.gz PHMWMEOQHLJQQD-UHFFFAOYSA-N 2 2 332.414 3.448 20 0 EGADLP CC(C)O[C@@H]1C[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C1(C)C ZINC000361034509 457529675 /nfs/dbraw/zinc/52/96/75/457529675.db2.gz XSYXVIBUFGGSPA-KZNAEPCWSA-N 2 2 346.519 3.226 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000357471735 457549767 /nfs/dbraw/zinc/54/97/67/457549767.db2.gz GDGZUZFYBQTQMO-GOSISDBHSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361062527 457556651 /nfs/dbraw/zinc/55/66/51/457556651.db2.gz MILHNXAHQXMXET-QGZVFWFLSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)n2c1 ZINC000342861211 457563955 /nfs/dbraw/zinc/56/39/55/457563955.db2.gz MERKHJMZUHQSIS-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)n2c1 ZINC000342861211 457563961 /nfs/dbraw/zinc/56/39/61/457563961.db2.gz MERKHJMZUHQSIS-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000361147484 457614083 /nfs/dbraw/zinc/61/40/83/457614083.db2.gz SRMQSZXOFCKOCC-UHFFFAOYSA-N 2 2 344.499 3.461 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209175 457646748 /nfs/dbraw/zinc/64/67/48/457646748.db2.gz QLUJVYQLWKWURC-SJORKVTESA-N 2 2 337.895 3.111 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209175 457646750 /nfs/dbraw/zinc/64/67/50/457646750.db2.gz QLUJVYQLWKWURC-SJORKVTESA-N 2 2 337.895 3.111 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000364759776 457687961 /nfs/dbraw/zinc/68/79/61/457687961.db2.gz NSMDSZIHOYBQKJ-KRWDZBQOSA-N 2 2 327.476 3.039 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000364759776 457687964 /nfs/dbraw/zinc/68/79/64/457687964.db2.gz NSMDSZIHOYBQKJ-KRWDZBQOSA-N 2 2 327.476 3.039 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794918 457692589 /nfs/dbraw/zinc/69/25/89/457692589.db2.gz ODKHQKJLZNHFIC-MJGOQNOKSA-N 2 2 334.504 3.401 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794918 457692590 /nfs/dbraw/zinc/69/25/90/457692590.db2.gz ODKHQKJLZNHFIC-MJGOQNOKSA-N 2 2 334.504 3.401 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040065 457748622 /nfs/dbraw/zinc/74/86/22/457748622.db2.gz BMOCOPPOZFWCCI-HTAPYJJXSA-N 2 2 335.495 3.297 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040065 457748625 /nfs/dbraw/zinc/74/86/25/457748625.db2.gz BMOCOPPOZFWCCI-HTAPYJJXSA-N 2 2 335.495 3.297 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](C/C=C/c2ccncc2)CC1 ZINC000426145054 457778512 /nfs/dbraw/zinc/77/85/12/457778512.db2.gz HXALWTXOYMVFNS-LWQICCLCSA-N 2 2 336.483 3.476 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](C/C=C/c2ccncc2)CC1 ZINC000426145054 457778519 /nfs/dbraw/zinc/77/85/19/457778519.db2.gz HXALWTXOYMVFNS-LWQICCLCSA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](C/C=C/c2ccncc2)CC1 ZINC000426145054 457778524 /nfs/dbraw/zinc/77/85/24/457778524.db2.gz HXALWTXOYMVFNS-LWQICCLCSA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](C/C=C/c2ccncc2)CC1 ZINC000426145054 457778527 /nfs/dbraw/zinc/77/85/27/457778527.db2.gz HXALWTXOYMVFNS-LWQICCLCSA-N 2 2 336.483 3.476 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccncc2)C1 ZINC000426170800 457781408 /nfs/dbraw/zinc/78/14/08/457781408.db2.gz QRVUBVUZYUPMEO-JXCVUKRWSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccncc2)C1 ZINC000426170800 457781413 /nfs/dbraw/zinc/78/14/13/457781413.db2.gz QRVUBVUZYUPMEO-JXCVUKRWSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccncc2)C1 ZINC000426170800 457781420 /nfs/dbraw/zinc/78/14/20/457781420.db2.gz QRVUBVUZYUPMEO-JXCVUKRWSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000426170800 457781426 /nfs/dbraw/zinc/78/14/26/457781426.db2.gz QRVUBVUZYUPMEO-JXCVUKRWSA-N 2 2 342.512 3.314 20 0 EGADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000426329687 457805392 /nfs/dbraw/zinc/80/53/92/457805392.db2.gz HINNWWXHRLQQIV-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000426329687 457805398 /nfs/dbraw/zinc/80/53/98/457805398.db2.gz HINNWWXHRLQQIV-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1nc2ccc(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)cc2s1 ZINC000426404600 457823132 /nfs/dbraw/zinc/82/31/32/457823132.db2.gz IDBNPUUFXBVNJK-CQSZACIVSA-N 2 2 345.512 3.290 20 0 EGADLP Cc1nc2ccc(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc2s1 ZINC000426404600 457823141 /nfs/dbraw/zinc/82/31/41/457823141.db2.gz IDBNPUUFXBVNJK-CQSZACIVSA-N 2 2 345.512 3.290 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000361690451 457823367 /nfs/dbraw/zinc/82/33/67/457823367.db2.gz XOWHLXXJPXFTPJ-UHFFFAOYSA-N 2 2 334.423 3.367 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000358161860 457825811 /nfs/dbraw/zinc/82/58/11/457825811.db2.gz RMZPTCOIBOFADI-HOCLYGCPSA-N 2 2 330.501 3.068 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)[C@@H](C)C1 ZINC000358161860 457825814 /nfs/dbraw/zinc/82/58/14/457825814.db2.gz RMZPTCOIBOFADI-HOCLYGCPSA-N 2 2 330.501 3.068 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000358175575 457836103 /nfs/dbraw/zinc/83/61/03/457836103.db2.gz YUURWBSUBRQJCL-KGLIPLIRSA-N 2 2 341.293 3.211 20 0 EGADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295515 457851321 /nfs/dbraw/zinc/85/13/21/457851321.db2.gz QJPCKVFHANVVKV-SAHWJRBASA-N 2 2 334.529 3.014 20 0 EGADLP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000358208175 457859794 /nfs/dbraw/zinc/85/97/94/457859794.db2.gz LVAVUSVPOUUPBP-UHFFFAOYSA-N 2 2 349.494 3.025 20 0 EGADLP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000358208175 457859800 /nfs/dbraw/zinc/85/98/00/457859800.db2.gz LVAVUSVPOUUPBP-UHFFFAOYSA-N 2 2 349.494 3.025 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2)NC(=O)OC(C)(C)C ZINC000375316811 457879672 /nfs/dbraw/zinc/87/96/72/457879672.db2.gz FBIFODOACJDLQQ-UONOGXRCSA-N 2 2 336.480 3.001 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000358246771 457884650 /nfs/dbraw/zinc/88/46/50/457884650.db2.gz LAKUMXHQLNJZDX-DMRZNYOFSA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000358246771 457884654 /nfs/dbraw/zinc/88/46/54/457884654.db2.gz LAKUMXHQLNJZDX-DMRZNYOFSA-N 2 2 330.394 3.113 20 0 EGADLP C[N@H+](Cc1ccc(-c2cccs2)cc1)C1CC[NH+](CCO)CC1 ZINC000444629176 457923736 /nfs/dbraw/zinc/92/37/36/457923736.db2.gz VHKJIUYAPOWHGI-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[N@@H+](Cc1ccc(-c2cccs2)cc1)C1CC[NH+](CCO)CC1 ZINC000444629176 457923742 /nfs/dbraw/zinc/92/37/42/457923742.db2.gz VHKJIUYAPOWHGI-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890246 457934221 /nfs/dbraw/zinc/93/42/21/457934221.db2.gz DRRGARURXHWQBI-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP CCn1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1C ZINC000434026070 457934540 /nfs/dbraw/zinc/93/45/40/457934540.db2.gz CODHOPNZERMAAS-ICSRJNTNSA-N 2 2 341.503 3.040 20 0 EGADLP CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1C ZINC000434026070 457934546 /nfs/dbraw/zinc/93/45/46/457934546.db2.gz CODHOPNZERMAAS-ICSRJNTNSA-N 2 2 341.503 3.040 20 0 EGADLP CCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1C ZINC000434026070 457934554 /nfs/dbraw/zinc/93/45/54/457934554.db2.gz CODHOPNZERMAAS-ICSRJNTNSA-N 2 2 341.503 3.040 20 0 EGADLP CCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1C ZINC000434026070 457934561 /nfs/dbraw/zinc/93/45/61/457934561.db2.gz CODHOPNZERMAAS-ICSRJNTNSA-N 2 2 341.503 3.040 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)nnn1-c1ccccc1 ZINC000361926531 457959533 /nfs/dbraw/zinc/95/95/33/457959533.db2.gz KMRWMOQRPUJANI-HNNXBMFYSA-N 2 2 336.443 3.124 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](C(C)C)C3)c2cc1C ZINC000444771597 457971071 /nfs/dbraw/zinc/97/10/71/457971071.db2.gz JSDBUXKUAFLWEU-ROUUACIJSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](C(C)C)C3)c2cc1C ZINC000444771597 457971077 /nfs/dbraw/zinc/97/10/77/457971077.db2.gz JSDBUXKUAFLWEU-ROUUACIJSA-N 2 2 329.488 3.382 20 0 EGADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418860 457991447 /nfs/dbraw/zinc/99/14/47/457991447.db2.gz GEFRWZYDOLBEOZ-ZWKOTPCHSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418860 457991452 /nfs/dbraw/zinc/99/14/52/457991452.db2.gz GEFRWZYDOLBEOZ-ZWKOTPCHSA-N 2 2 349.906 3.076 20 0 EGADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427842684 458042354 /nfs/dbraw/zinc/04/23/54/458042354.db2.gz KYTQRBSEGMSUQF-SWLSCSKDSA-N 2 2 337.345 3.374 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000427870410 458046129 /nfs/dbraw/zinc/04/61/29/458046129.db2.gz YDTQISDGNGSEHM-WCQYABFASA-N 2 2 329.835 3.089 20 0 EGADLP C[N@@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)[C@H](c2ccccc2)C1 ZINC000434981232 458074804 /nfs/dbraw/zinc/07/48/04/458074804.db2.gz FFZDBUQZNWZUMH-SFHVURJKSA-N 2 2 340.858 3.476 20 0 EGADLP C[N@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)[C@H](c2ccccc2)C1 ZINC000434981232 458074811 /nfs/dbraw/zinc/07/48/11/458074811.db2.gz FFZDBUQZNWZUMH-SFHVURJKSA-N 2 2 340.858 3.476 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(F)ccc3Cl)CC2)c1 ZINC000445798135 458089478 /nfs/dbraw/zinc/08/94/78/458089478.db2.gz FRWGQVSUTPSMEI-UHFFFAOYSA-N 2 2 335.810 3.205 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000375906598 458118587 /nfs/dbraw/zinc/11/85/87/458118587.db2.gz VRIXHIIENHPEFI-HNNXBMFYSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(F)cccc3Cl)C2)CC1 ZINC000375906598 458118595 /nfs/dbraw/zinc/11/85/95/458118595.db2.gz VRIXHIIENHPEFI-HNNXBMFYSA-N 2 2 339.886 3.079 20 0 EGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000435385362 458132455 /nfs/dbraw/zinc/13/24/55/458132455.db2.gz PWVJZBGUSLRDKP-MOPGFXCFSA-N 2 2 340.467 3.300 20 0 EGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000435385362 458132465 /nfs/dbraw/zinc/13/24/65/458132465.db2.gz PWVJZBGUSLRDKP-MOPGFXCFSA-N 2 2 340.467 3.300 20 0 EGADLP COc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435385355 458132711 /nfs/dbraw/zinc/13/27/11/458132711.db2.gz PVWLZPLKTIGXSI-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP COc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435385355 458132717 /nfs/dbraw/zinc/13/27/17/458132717.db2.gz PVWLZPLKTIGXSI-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668905 458139316 /nfs/dbraw/zinc/13/93/16/458139316.db2.gz UBGMLTCHCFQMTK-QAPCUYQASA-N 3 2 335.923 3.377 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668905 458139326 /nfs/dbraw/zinc/13/93/26/458139326.db2.gz UBGMLTCHCFQMTK-QAPCUYQASA-N 3 2 335.923 3.377 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1cccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420579 458141360 /nfs/dbraw/zinc/14/13/60/458141360.db2.gz CYGSHYMJBOZLOF-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1cccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420579 458141368 /nfs/dbraw/zinc/14/13/68/458141368.db2.gz CYGSHYMJBOZLOF-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP CC[N@H+](CCCNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000446127420 458152816 /nfs/dbraw/zinc/15/28/16/458152816.db2.gz QXDXRHGGOARPNL-UHFFFAOYSA-N 2 2 346.519 3.029 20 0 EGADLP CC[N@@H+](CCCNC(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000446127420 458152821 /nfs/dbraw/zinc/15/28/21/458152821.db2.gz QXDXRHGGOARPNL-UHFFFAOYSA-N 2 2 346.519 3.029 20 0 EGADLP c1nc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000435585126 458165827 /nfs/dbraw/zinc/16/58/27/458165827.db2.gz PXQZKSPSAXPWDM-KRWDZBQOSA-N 2 2 329.492 3.286 20 0 EGADLP c1nc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000435585126 458165834 /nfs/dbraw/zinc/16/58/34/458165834.db2.gz PXQZKSPSAXPWDM-KRWDZBQOSA-N 2 2 329.492 3.286 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cs2)c1 ZINC000435619649 458174051 /nfs/dbraw/zinc/17/40/51/458174051.db2.gz ZMWAYZYHTOKBMC-INIZCTEOSA-N 2 2 331.485 3.393 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cs2)c1 ZINC000435619649 458174055 /nfs/dbraw/zinc/17/40/55/458174055.db2.gz ZMWAYZYHTOKBMC-INIZCTEOSA-N 2 2 331.485 3.393 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617922 458175338 /nfs/dbraw/zinc/17/53/38/458175338.db2.gz REAQDFMTNOXLNW-UZLBHIALSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617922 458175344 /nfs/dbraw/zinc/17/53/44/458175344.db2.gz REAQDFMTNOXLNW-UZLBHIALSA-N 2 2 339.483 3.091 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000435884862 458218492 /nfs/dbraw/zinc/21/84/92/458218492.db2.gz XVWAUIILMVPNEQ-UHFFFAOYSA-N 2 2 338.455 3.298 20 0 EGADLP C[NH2+]CCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000435884862 458218496 /nfs/dbraw/zinc/21/84/96/458218496.db2.gz XVWAUIILMVPNEQ-UHFFFAOYSA-N 2 2 338.455 3.298 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000428953625 458240778 /nfs/dbraw/zinc/24/07/78/458240778.db2.gz PFPVXDFOACKKCW-YSIASYRMSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000428953625 458240784 /nfs/dbraw/zinc/24/07/84/458240784.db2.gz PFPVXDFOACKKCW-YSIASYRMSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000428953625 458240788 /nfs/dbraw/zinc/24/07/88/458240788.db2.gz PFPVXDFOACKKCW-YSIASYRMSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000428953625 458240795 /nfs/dbraw/zinc/24/07/95/458240795.db2.gz PFPVXDFOACKKCW-YSIASYRMSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429133472 458277828 /nfs/dbraw/zinc/27/78/28/458277828.db2.gz GZYZQRIBZQRGGC-ZDUSSCGKSA-N 2 2 336.842 3.195 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000429133472 458277831 /nfs/dbraw/zinc/27/78/31/458277831.db2.gz GZYZQRIBZQRGGC-ZDUSSCGKSA-N 2 2 336.842 3.195 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730517 458327712 /nfs/dbraw/zinc/32/77/12/458327712.db2.gz ZUYNGLWTSYVZCD-DNVCBOLYSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730517 458327715 /nfs/dbraw/zinc/32/77/15/458327715.db2.gz ZUYNGLWTSYVZCD-DNVCBOLYSA-N 2 2 333.907 3.039 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000459321376 458327970 /nfs/dbraw/zinc/32/79/70/458327970.db2.gz GUZFRWYSOYLAFE-UHFFFAOYSA-N 2 2 341.434 3.056 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000459321376 458327975 /nfs/dbraw/zinc/32/79/75/458327975.db2.gz GUZFRWYSOYLAFE-UHFFFAOYSA-N 2 2 341.434 3.056 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)C[C@H](C)C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000376681430 458368405 /nfs/dbraw/zinc/36/84/05/458368405.db2.gz QWWKBCAGAYKFJN-IRXDYDNUSA-N 2 2 346.519 3.056 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000448020632 458380583 /nfs/dbraw/zinc/38/05/83/458380583.db2.gz DAGUHTUXBDQJMO-BEFAXECRSA-N 2 2 334.504 3.345 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC000448020632 458380587 /nfs/dbraw/zinc/38/05/87/458380587.db2.gz DAGUHTUXBDQJMO-BEFAXECRSA-N 2 2 334.504 3.345 20 0 EGADLP Brc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000376758186 458385042 /nfs/dbraw/zinc/38/50/42/458385042.db2.gz LXLXURJKANQERP-UHFFFAOYSA-N 2 2 326.263 3.333 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@H]1Sc1ccccc1 ZINC000459497199 458392184 /nfs/dbraw/zinc/39/21/84/458392184.db2.gz IMMIJCUWRPJFFH-KNIMUDFMSA-N 2 2 343.496 3.126 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CCC[NH2+]1 ZINC000423434487 458432394 /nfs/dbraw/zinc/43/23/94/458432394.db2.gz SAVIQXGNQVNKIB-OXQOHEQNSA-N 2 2 325.456 3.168 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000373232185 458438934 /nfs/dbraw/zinc/43/89/34/458438934.db2.gz UDEACQYLMZWBAS-CYBMUJFWSA-N 2 2 329.835 3.101 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000373232185 458438939 /nfs/dbraw/zinc/43/89/39/458438939.db2.gz UDEACQYLMZWBAS-CYBMUJFWSA-N 2 2 329.835 3.101 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423504019 458445136 /nfs/dbraw/zinc/44/51/36/458445136.db2.gz NGNMZBIRYSHVQF-BEFAXECRSA-N 2 2 325.456 3.256 20 0 EGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423519908 458450134 /nfs/dbraw/zinc/45/01/34/458450134.db2.gz JRWNSPFEGYIUDV-QAPCUYQASA-N 2 2 326.440 3.001 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526185 458451555 /nfs/dbraw/zinc/45/15/55/458451555.db2.gz UYVCZUOEEPGHPR-JKSUJKDBSA-N 2 2 329.410 3.040 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000430548069 458459582 /nfs/dbraw/zinc/45/95/82/458459582.db2.gz BCOYMPAXDSDUAC-FQEVSTJZSA-N 2 2 331.504 3.315 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558634 458460941 /nfs/dbraw/zinc/46/09/41/458460941.db2.gz WEBKGMFFFUDIHM-RDJZCZTQSA-N 2 2 329.513 3.488 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558634 458460943 /nfs/dbraw/zinc/46/09/43/458460943.db2.gz WEBKGMFFFUDIHM-RDJZCZTQSA-N 2 2 329.513 3.488 20 0 EGADLP CC[C@H](NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575382 458463283 /nfs/dbraw/zinc/46/32/83/458463283.db2.gz KNPPCVKTMMPJSU-SJORKVTESA-N 2 2 339.911 3.213 20 0 EGADLP CC[C@H](NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575382 458463289 /nfs/dbraw/zinc/46/32/89/458463289.db2.gz KNPPCVKTMMPJSU-SJORKVTESA-N 2 2 339.911 3.213 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000430576543 458465732 /nfs/dbraw/zinc/46/57/32/458465732.db2.gz MOQBRYAWBIYYQM-NVXWUHKLSA-N 2 2 345.487 3.257 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000430576543 458465736 /nfs/dbraw/zinc/46/57/36/458465736.db2.gz MOQBRYAWBIYYQM-NVXWUHKLSA-N 2 2 345.487 3.257 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430582483 458467069 /nfs/dbraw/zinc/46/70/69/458467069.db2.gz KRWZCVGCJGGTJL-SJORKVTESA-N 2 2 343.515 3.025 20 0 EGADLP C[C@@](C[NH3+])([NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000430591590 458468156 /nfs/dbraw/zinc/46/81/56/458468156.db2.gz KPYVQKMGYYQQSJ-AWEZNQCLSA-N 2 2 349.219 3.268 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621685 458472996 /nfs/dbraw/zinc/47/29/96/458472996.db2.gz DWDHRSDGWPIJBX-LAUBAEHRSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621685 458472999 /nfs/dbraw/zinc/47/29/99/458472999.db2.gz DWDHRSDGWPIJBX-LAUBAEHRSA-N 2 2 345.531 3.294 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669666 458477490 /nfs/dbraw/zinc/47/74/90/458477490.db2.gz UGMKYSSIHLDDBX-DOMZBBRYSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669666 458477495 /nfs/dbraw/zinc/47/74/95/458477495.db2.gz UGMKYSSIHLDDBX-DOMZBBRYSA-N 2 2 334.851 3.134 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000373401606 458483108 /nfs/dbraw/zinc/48/31/08/458483108.db2.gz ZRSNKBMCARJFSE-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000373401606 458483116 /nfs/dbraw/zinc/48/31/16/458483116.db2.gz ZRSNKBMCARJFSE-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758926 458488710 /nfs/dbraw/zinc/48/87/10/458488710.db2.gz DRFAFFBXISKGCG-DLBZAZTESA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758926 458488713 /nfs/dbraw/zinc/48/87/13/458488713.db2.gz DRFAFFBXISKGCG-DLBZAZTESA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758926 458488718 /nfs/dbraw/zinc/48/87/18/458488718.db2.gz DRFAFFBXISKGCG-DLBZAZTESA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@@H]1C ZINC000430758926 458488721 /nfs/dbraw/zinc/48/87/21/458488721.db2.gz DRFAFFBXISKGCG-DLBZAZTESA-N 2 2 342.487 3.186 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(Cl)cc3F)[nH+]c2)C1 ZINC000437787875 458494139 /nfs/dbraw/zinc/49/41/39/458494139.db2.gz RTSPMQBROXLLFG-MRXNPFEDSA-N 2 2 348.853 3.048 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c[nH+]1 ZINC000430882807 458500918 /nfs/dbraw/zinc/50/09/18/458500918.db2.gz NAYSMTGLLMKOPH-LJQANCHMSA-N 2 2 337.467 3.308 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c[nH+]1 ZINC000430882807 458500921 /nfs/dbraw/zinc/50/09/21/458500921.db2.gz NAYSMTGLLMKOPH-LJQANCHMSA-N 2 2 337.467 3.308 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430935910 458507936 /nfs/dbraw/zinc/50/79/36/458507936.db2.gz WGPDHBJDQOSDBM-JTDSTZFVSA-N 2 2 337.467 3.350 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430935910 458507938 /nfs/dbraw/zinc/50/79/38/458507938.db2.gz WGPDHBJDQOSDBM-JTDSTZFVSA-N 2 2 337.467 3.350 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430960674 458510899 /nfs/dbraw/zinc/51/08/99/458510899.db2.gz KWCFSCSPCPRQAE-QGZVFWFLSA-N 2 2 335.536 3.022 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430960674 458510904 /nfs/dbraw/zinc/51/09/04/458510904.db2.gz KWCFSCSPCPRQAE-QGZVFWFLSA-N 2 2 335.536 3.022 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)ccc2n1C1CC1 ZINC000423927966 458514276 /nfs/dbraw/zinc/51/42/76/458514276.db2.gz GPNLORJZTHBWMT-CABCVRRESA-N 2 2 340.471 3.067 20 0 EGADLP CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000423952698 458520645 /nfs/dbraw/zinc/52/06/45/458520645.db2.gz PXVQFIZDXOVPJR-INIZCTEOSA-N 2 2 345.830 3.337 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000438165813 458544741 /nfs/dbraw/zinc/54/47/41/458544741.db2.gz LXMRDQYDSNOTMQ-ZBFHGGJFSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000438165813 458544748 /nfs/dbraw/zinc/54/47/48/458544748.db2.gz LXMRDQYDSNOTMQ-ZBFHGGJFSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000438354948 458568817 /nfs/dbraw/zinc/56/88/17/458568817.db2.gz QQQAHLAFRCHGMT-COPCDDAFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000438354948 458568826 /nfs/dbraw/zinc/56/88/26/458568826.db2.gz QQQAHLAFRCHGMT-COPCDDAFSA-N 2 2 338.495 3.090 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000493800021 458571327 /nfs/dbraw/zinc/57/13/27/458571327.db2.gz XKWIJIDXTGQJNJ-RVKKMQEKSA-N 2 2 340.895 3.116 20 0 EGADLP Cc1cc(F)c(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)c(F)c1 ZINC000424164557 458574916 /nfs/dbraw/zinc/57/49/16/458574916.db2.gz ZTMDMPVCVXYQAJ-UHFFFAOYSA-N 2 2 332.398 3.032 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493917489 458601418 /nfs/dbraw/zinc/60/14/18/458601418.db2.gz RLNYXKOHJPPKMO-MTEHYEEQSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493917489 458601424 /nfs/dbraw/zinc/60/14/24/458601424.db2.gz RLNYXKOHJPPKMO-MTEHYEEQSA-N 2 2 326.484 3.369 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCc3ccccc3OC1)C2 ZINC000493937074 458604073 /nfs/dbraw/zinc/60/40/73/458604073.db2.gz NFZYKABEFLVHPM-IAGOWNOFSA-N 2 2 339.483 3.479 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000424299433 458607592 /nfs/dbraw/zinc/60/75/92/458607592.db2.gz DZEYIBYMYBQSDL-CUOATXAZSA-N 2 2 330.259 3.180 20 0 EGADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000462813042 458657694 /nfs/dbraw/zinc/65/76/94/458657694.db2.gz KCTBIWDQWYQZDM-IAGOWNOFSA-N 2 2 342.531 3.060 20 0 EGADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000462813042 458657701 /nfs/dbraw/zinc/65/77/01/458657701.db2.gz KCTBIWDQWYQZDM-IAGOWNOFSA-N 2 2 342.531 3.060 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462884120 458664465 /nfs/dbraw/zinc/66/44/65/458664465.db2.gz ZGFAMLSTLHVZOE-LSDHHAIUSA-N 2 2 341.455 3.036 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462884120 458664466 /nfs/dbraw/zinc/66/44/66/458664466.db2.gz ZGFAMLSTLHVZOE-LSDHHAIUSA-N 2 2 341.455 3.036 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000494399774 458669999 /nfs/dbraw/zinc/66/99/99/458669999.db2.gz OVJDASALVJRQAD-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000494399774 458670006 /nfs/dbraw/zinc/67/00/06/458670006.db2.gz OVJDASALVJRQAD-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977475 458671812 /nfs/dbraw/zinc/67/18/12/458671812.db2.gz XMXTXWLJOAZZEP-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470977475 458671816 /nfs/dbraw/zinc/67/18/16/458671816.db2.gz XMXTXWLJOAZZEP-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470977475 458671818 /nfs/dbraw/zinc/67/18/18/458671818.db2.gz XMXTXWLJOAZZEP-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470977475 458671822 /nfs/dbraw/zinc/67/18/22/458671822.db2.gz XMXTXWLJOAZZEP-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000494602628 458709155 /nfs/dbraw/zinc/70/91/55/458709155.db2.gz JSSREQYCXTUKNE-UHFFFAOYSA-N 2 2 334.423 3.456 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000494602628 458709162 /nfs/dbraw/zinc/70/91/62/458709162.db2.gz JSSREQYCXTUKNE-UHFFFAOYSA-N 2 2 334.423 3.456 20 0 EGADLP CCc1ccc([C@H](CC(C)C)[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000530223456 458722091 /nfs/dbraw/zinc/72/20/91/458722091.db2.gz JXYKIMSMMAOGKV-HBMCJLEFSA-N 2 2 340.515 3.496 20 0 EGADLP CCc1ccc([C@H](CC(C)C)[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000530223456 458722096 /nfs/dbraw/zinc/72/20/96/458722096.db2.gz JXYKIMSMMAOGKV-HBMCJLEFSA-N 2 2 340.515 3.496 20 0 EGADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218987 458722231 /nfs/dbraw/zinc/72/22/31/458722231.db2.gz YLRVATBTLMLWDG-CABCVRRESA-N 2 2 325.378 3.352 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2csc(C(C)(C)C)n2)CCCO1 ZINC000432362226 458725479 /nfs/dbraw/zinc/72/54/79/458725479.db2.gz JERSFKWZSBGKME-CQSZACIVSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc(C(C)(C)C)n2)CCCO1 ZINC000432362226 458725487 /nfs/dbraw/zinc/72/54/87/458725487.db2.gz JERSFKWZSBGKME-CQSZACIVSA-N 2 2 325.522 3.031 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000511049346 458777831 /nfs/dbraw/zinc/77/78/31/458777831.db2.gz QQOPRWCSRRQDGX-FDFHNCONSA-N 2 2 336.479 3.423 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000511049346 458777838 /nfs/dbraw/zinc/77/78/38/458777838.db2.gz QQOPRWCSRRQDGX-FDFHNCONSA-N 2 2 336.479 3.423 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000547732179 458780793 /nfs/dbraw/zinc/78/07/93/458780793.db2.gz WLZIXIPETIIWGH-UHFFFAOYSA-N 2 2 326.444 3.465 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000547732179 458780798 /nfs/dbraw/zinc/78/07/98/458780798.db2.gz WLZIXIPETIIWGH-UHFFFAOYSA-N 2 2 326.444 3.465 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)c(C(C)C)nc2s1 ZINC000432818952 458791849 /nfs/dbraw/zinc/79/18/49/458791849.db2.gz VRIHXFIPRDUBAO-CQSZACIVSA-N 2 2 335.521 3.139 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)c(C(C)C)nc2s1 ZINC000432818952 458791854 /nfs/dbraw/zinc/79/18/54/458791854.db2.gz VRIHXFIPRDUBAO-CQSZACIVSA-N 2 2 335.521 3.139 20 0 EGADLP CC1=CC[N@H+](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000495443951 458858702 /nfs/dbraw/zinc/85/87/02/458858702.db2.gz VMSBHEWXEZELTR-UHFFFAOYSA-N 2 2 337.508 3.064 20 0 EGADLP CC1=CC[N@@H+](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000495443951 458858707 /nfs/dbraw/zinc/85/87/07/458858707.db2.gz VMSBHEWXEZELTR-UHFFFAOYSA-N 2 2 337.508 3.064 20 0 EGADLP CC(C)[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273467 458874215 /nfs/dbraw/zinc/87/42/15/458874215.db2.gz LTIXAJVDXZVARZ-PZJWPPBQSA-N 2 2 330.516 3.470 20 0 EGADLP CC(C)[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273467 458874217 /nfs/dbraw/zinc/87/42/17/458874217.db2.gz LTIXAJVDXZVARZ-PZJWPPBQSA-N 2 2 330.516 3.470 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358978 458926185 /nfs/dbraw/zinc/92/61/85/458926185.db2.gz PDKDSWJLRGZIHR-ROUUACIJSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358978 458926187 /nfs/dbraw/zinc/92/61/87/458926187.db2.gz PDKDSWJLRGZIHR-ROUUACIJSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000441358978 458926192 /nfs/dbraw/zinc/92/61/92/458926192.db2.gz PDKDSWJLRGZIHR-ROUUACIJSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000441358978 458926195 /nfs/dbraw/zinc/92/61/95/458926195.db2.gz PDKDSWJLRGZIHR-ROUUACIJSA-N 2 2 337.552 3.362 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441397236 458935247 /nfs/dbraw/zinc/93/52/47/458935247.db2.gz TUIDJGZMBVXJPH-ZWOKBUDYSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441397236 458935250 /nfs/dbraw/zinc/93/52/50/458935250.db2.gz TUIDJGZMBVXJPH-ZWOKBUDYSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441397236 458935266 /nfs/dbraw/zinc/93/52/66/458935266.db2.gz TUIDJGZMBVXJPH-ZWOKBUDYSA-N 2 2 341.499 3.271 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441452893 458946566 /nfs/dbraw/zinc/94/65/66/458946566.db2.gz VAFSYXGBNXWCCX-MOPGFXCFSA-N 2 2 337.552 3.125 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441452893 458946573 /nfs/dbraw/zinc/94/65/73/458946573.db2.gz VAFSYXGBNXWCCX-MOPGFXCFSA-N 2 2 337.552 3.125 20 0 EGADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000566555714 458959593 /nfs/dbraw/zinc/95/95/93/458959593.db2.gz SIFGHWZMJQWTRL-CVEARBPZSA-N 2 2 338.377 3.028 20 0 EGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000556585581 458975246 /nfs/dbraw/zinc/97/52/46/458975246.db2.gz MSANKEFPYUWCMI-QZTJIDSGSA-N 2 2 334.504 3.484 20 0 EGADLP C[N@H+]1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC12CCCCC2 ZINC000566922939 459022835 /nfs/dbraw/zinc/02/28/35/459022835.db2.gz FAPRBIGQOPMSSJ-UHFFFAOYSA-N 2 2 338.499 3.382 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000556873387 459025113 /nfs/dbraw/zinc/02/51/13/459025113.db2.gz WYKJIQMSIFFANZ-GHTZIAJQSA-N 2 2 338.499 3.029 20 0 EGADLP CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000567017173 459035355 /nfs/dbraw/zinc/03/53/55/459035355.db2.gz VVYMBPYXXBDETE-KRWDZBQOSA-N 2 2 339.439 3.349 20 0 EGADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000567017173 459035362 /nfs/dbraw/zinc/03/53/62/459035362.db2.gz VVYMBPYXXBDETE-KRWDZBQOSA-N 2 2 339.439 3.349 20 0 EGADLP CC(C)COc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000520211373 459039826 /nfs/dbraw/zinc/03/98/26/459039826.db2.gz KFOMOQOXFIWQAO-QZTJIDSGSA-N 2 2 334.504 3.310 20 0 EGADLP CC1(C)C[NH+](CCC[NH+]2CC(C)(C)OC(C)(C)C2)CC(C)(C)O1 ZINC000442883043 459051481 /nfs/dbraw/zinc/05/14/81/459051481.db2.gz UDOGWKDQJCAMOR-UHFFFAOYSA-N 2 2 326.525 3.155 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000477674288 459054121 /nfs/dbraw/zinc/05/41/21/459054121.db2.gz DOPLAGOWEPHXRV-UHFFFAOYSA-N 2 2 326.488 3.341 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH+](C)C ZINC000532441827 459089253 /nfs/dbraw/zinc/08/92/53/459089253.db2.gz AZYUTNYBYDZMQJ-LBPRGKRZSA-N 2 2 345.409 3.352 20 0 EGADLP CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000496188426 459102752 /nfs/dbraw/zinc/10/27/52/459102752.db2.gz JRPZOBINPTWJTJ-CQSZACIVSA-N 2 2 348.472 3.034 20 0 EGADLP CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000496188426 459102753 /nfs/dbraw/zinc/10/27/53/459102753.db2.gz JRPZOBINPTWJTJ-CQSZACIVSA-N 2 2 348.472 3.034 20 0 EGADLP CCOc1ccccc1N1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000532750582 459140458 /nfs/dbraw/zinc/14/04/58/459140458.db2.gz LEGNCFFDEZTSFF-GOSISDBHSA-N 2 2 331.504 3.082 20 0 EGADLP CCOc1ccccc1N1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000532750582 459140462 /nfs/dbraw/zinc/14/04/62/459140462.db2.gz LEGNCFFDEZTSFF-GOSISDBHSA-N 2 2 331.504 3.082 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000567708467 459150818 /nfs/dbraw/zinc/15/08/18/459150818.db2.gz PFBHVWBCUHXXLD-PXNSSMCTSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000567708467 459150822 /nfs/dbraw/zinc/15/08/22/459150822.db2.gz PFBHVWBCUHXXLD-PXNSSMCTSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567723923 459155077 /nfs/dbraw/zinc/15/50/77/459155077.db2.gz BSQGLWLNKDCVKH-YSSFQJQWSA-N 2 2 345.918 3.491 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567723923 459155083 /nfs/dbraw/zinc/15/50/83/459155083.db2.gz BSQGLWLNKDCVKH-YSSFQJQWSA-N 2 2 345.918 3.491 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000558413037 459155538 /nfs/dbraw/zinc/15/55/38/459155538.db2.gz ZFAAUJOZSQYMQO-WMZOPIPTSA-N 2 2 332.488 3.076 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000558413037 459155542 /nfs/dbraw/zinc/15/55/42/459155542.db2.gz ZFAAUJOZSQYMQO-WMZOPIPTSA-N 2 2 332.488 3.076 20 0 EGADLP c1cn(Cc2ccc(N[C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)[nH+]c2)c[nH+]1 ZINC000558417560 459156798 /nfs/dbraw/zinc/15/67/98/459156798.db2.gz GQBDTFZSJQXCHG-RCCFBDPRSA-N 2 2 326.444 3.334 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352965 459162221 /nfs/dbraw/zinc/16/22/21/459162221.db2.gz WKKAFSPTFDGQFS-KEYYUXOJSA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352965 459162226 /nfs/dbraw/zinc/16/22/26/459162226.db2.gz WKKAFSPTFDGQFS-KEYYUXOJSA-N 2 2 348.491 3.035 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000521820844 459180697 /nfs/dbraw/zinc/18/06/97/459180697.db2.gz GZPUJXUVEOKMKQ-OAQYLSRUSA-N 2 2 346.515 3.454 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000521820844 459180698 /nfs/dbraw/zinc/18/06/98/459180698.db2.gz GZPUJXUVEOKMKQ-OAQYLSRUSA-N 2 2 346.515 3.454 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000480274380 459190482 /nfs/dbraw/zinc/19/04/82/459190482.db2.gz MZHLLZJHLNLYQR-UEXGIBASSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000480274380 459190487 /nfs/dbraw/zinc/19/04/87/459190487.db2.gz MZHLLZJHLNLYQR-UEXGIBASSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccco3)CC2)c1 ZINC000480255938 459191072 /nfs/dbraw/zinc/19/10/72/459191072.db2.gz ZLVUROOWLAYDPK-GOSISDBHSA-N 2 2 327.472 3.451 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993174 459204026 /nfs/dbraw/zinc/20/40/26/459204026.db2.gz HMUBCDGIRDWEBV-IIDMSEBBSA-N 2 2 346.500 3.095 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993174 459204032 /nfs/dbraw/zinc/20/40/32/459204032.db2.gz HMUBCDGIRDWEBV-IIDMSEBBSA-N 2 2 346.500 3.095 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000568139353 459231548 /nfs/dbraw/zinc/23/15/48/459231548.db2.gz DPPIQJNMIBMLND-UHFFFAOYSA-N 2 2 349.482 3.318 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000568139353 459231552 /nfs/dbraw/zinc/23/15/52/459231552.db2.gz DPPIQJNMIBMLND-UHFFFAOYSA-N 2 2 349.482 3.318 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483587 459242085 /nfs/dbraw/zinc/24/20/85/459242085.db2.gz WWMPRQHBVXWENC-VQIYKNCMSA-N 2 2 330.516 3.188 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483587 459242092 /nfs/dbraw/zinc/24/20/92/459242092.db2.gz WWMPRQHBVXWENC-VQIYKNCMSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483587 459242097 /nfs/dbraw/zinc/24/20/97/459242097.db2.gz WWMPRQHBVXWENC-VQIYKNCMSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483587 459242099 /nfs/dbraw/zinc/24/20/99/459242099.db2.gz WWMPRQHBVXWENC-VQIYKNCMSA-N 2 2 330.516 3.188 20 0 EGADLP COC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000568375885 459278322 /nfs/dbraw/zinc/27/83/22/459278322.db2.gz VUYSNCQOZNFXMF-HNNXBMFYSA-N 2 2 325.815 3.433 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000582056689 459299971 /nfs/dbraw/zinc/29/99/71/459299971.db2.gz VUHLZSVIGNHUGQ-KUHUBIRLSA-N 2 2 341.430 3.308 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)CCC2 ZINC000568511331 459301218 /nfs/dbraw/zinc/30/12/18/459301218.db2.gz UNMHZAARVUKUOV-LPHOPBHVSA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)CCC2 ZINC000568511331 459301222 /nfs/dbraw/zinc/30/12/22/459301222.db2.gz UNMHZAARVUKUOV-LPHOPBHVSA-N 2 2 334.529 3.222 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000568654431 459324610 /nfs/dbraw/zinc/32/46/10/459324610.db2.gz QIKFKSAOFDSEOW-IAGOWNOFSA-N 2 2 347.503 3.122 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC000560581228 459376866 /nfs/dbraw/zinc/37/68/66/459376866.db2.gz GNZWVEGMDWYDNH-GXTWGEPZSA-N 2 2 346.393 3.414 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@@H](C)C1 ZINC000560581228 459376873 /nfs/dbraw/zinc/37/68/73/459376873.db2.gz GNZWVEGMDWYDNH-GXTWGEPZSA-N 2 2 346.393 3.414 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591458062 459386468 /nfs/dbraw/zinc/38/64/68/459386468.db2.gz RXZXSHNSRIDAIE-RTBURBONSA-N 2 2 340.471 3.130 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)Cc3ccsc3)c2cc1C ZINC000560904502 459404801 /nfs/dbraw/zinc/40/48/01/459404801.db2.gz SJJMYONFSINKFM-WBVHZDCISA-N 2 2 343.496 3.296 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(I)cc1 ZINC000591578032 459406026 /nfs/dbraw/zinc/40/60/26/459406026.db2.gz NYMKHTXWLKGNMW-RISCZKNCSA-N 2 2 344.240 3.084 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591866934 459458575 /nfs/dbraw/zinc/45/85/75/459458575.db2.gz KDHVNVQQMVLGKZ-ZBFHGGJFSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591866934 459458579 /nfs/dbraw/zinc/45/85/79/459458579.db2.gz KDHVNVQQMVLGKZ-ZBFHGGJFSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866994 459458769 /nfs/dbraw/zinc/45/87/69/459458769.db2.gz LMQILMUJICKUIE-LSDHHAIUSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866994 459458775 /nfs/dbraw/zinc/45/87/75/459458775.db2.gz LMQILMUJICKUIE-LSDHHAIUSA-N 2 2 344.484 3.269 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591868056 459459878 /nfs/dbraw/zinc/45/98/78/459459878.db2.gz WFXKMRIAXJBCRG-MRXNPFEDSA-N 2 2 338.411 3.384 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591868056 459459883 /nfs/dbraw/zinc/45/98/83/459459883.db2.gz WFXKMRIAXJBCRG-MRXNPFEDSA-N 2 2 338.411 3.384 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591869085 459460532 /nfs/dbraw/zinc/46/05/32/459460532.db2.gz IVBOGLMEISVTQC-IBGZPJMESA-N 2 2 340.471 3.106 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591869085 459460537 /nfs/dbraw/zinc/46/05/37/459460537.db2.gz IVBOGLMEISVTQC-IBGZPJMESA-N 2 2 340.471 3.106 20 0 EGADLP COC[C@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1 ZINC000562023134 459503933 /nfs/dbraw/zinc/50/39/33/459503933.db2.gz WHMCVZOVMVLMHT-IRXDYDNUSA-N 2 2 327.472 3.473 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824334 459606548 /nfs/dbraw/zinc/60/65/48/459606548.db2.gz DLHKYNSGRVVMOE-MOPGFXCFSA-N 2 2 337.552 3.125 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824334 459606554 /nfs/dbraw/zinc/60/65/54/459606554.db2.gz DLHKYNSGRVVMOE-MOPGFXCFSA-N 2 2 337.552 3.125 20 0 EGADLP COc1cccc(-c2noc([C@@H](C)[NH2+]CCc3cc[nH+]cc3C)n2)c1 ZINC000573115581 459628013 /nfs/dbraw/zinc/62/80/13/459628013.db2.gz CGPIXTHJOAIFIV-CQSZACIVSA-N 2 2 338.411 3.342 20 0 EGADLP c1cc(C2CCCC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000583986915 459629973 /nfs/dbraw/zinc/62/99/73/459629973.db2.gz PKHLJILNHNGMOH-LJQANCHMSA-N 2 2 328.500 3.498 20 0 EGADLP c1cc(C2CCCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000583986915 459629974 /nfs/dbraw/zinc/62/99/74/459629974.db2.gz PKHLJILNHNGMOH-LJQANCHMSA-N 2 2 328.500 3.498 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000573140543 459631980 /nfs/dbraw/zinc/63/19/80/459631980.db2.gz UDTAZGHMKADIKI-OXJNMPFZSA-N 2 2 338.451 3.083 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000573140543 459631983 /nfs/dbraw/zinc/63/19/83/459631983.db2.gz UDTAZGHMKADIKI-OXJNMPFZSA-N 2 2 338.451 3.083 20 0 EGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598702 459673998 /nfs/dbraw/zinc/67/39/98/459673998.db2.gz FSDLSILVMJRQKO-QRQLOZEOSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598702 459674004 /nfs/dbraw/zinc/67/40/04/459674004.db2.gz FSDLSILVMJRQKO-QRQLOZEOSA-N 2 2 326.488 3.371 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527631215 459677255 /nfs/dbraw/zinc/67/72/55/459677255.db2.gz KLBYNHPDTFAANM-ZDUSSCGKSA-N 2 2 336.423 3.213 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676420 459716574 /nfs/dbraw/zinc/71/65/74/459716574.db2.gz JXZARNZRYRGLIS-UXHICEINSA-N 2 2 344.886 3.474 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676420 459716581 /nfs/dbraw/zinc/71/65/81/459716581.db2.gz JXZARNZRYRGLIS-UXHICEINSA-N 2 2 344.886 3.474 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218361 459741639 /nfs/dbraw/zinc/74/16/39/459741639.db2.gz UNBUOSDPYNDNDB-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218361 459741641 /nfs/dbraw/zinc/74/16/41/459741641.db2.gz UNBUOSDPYNDNDB-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218361 459741647 /nfs/dbraw/zinc/74/16/47/459741647.db2.gz UNBUOSDPYNDNDB-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218361 459741651 /nfs/dbraw/zinc/74/16/51/459741651.db2.gz UNBUOSDPYNDNDB-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP C[NH+](C)CCCC(C)(C)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493597878 459755744 /nfs/dbraw/zinc/75/57/44/459755744.db2.gz ZMJFUQTZMMLSPU-DHZHZOJOSA-N 2 2 340.471 3.122 20 0 EGADLP COc1ccc[nH+]c1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000527853457 459758504 /nfs/dbraw/zinc/75/85/04/459758504.db2.gz PHPBNIMCYSDOGN-UHFFFAOYSA-N 2 2 333.382 3.445 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566229854 459826870 /nfs/dbraw/zinc/82/68/70/459826870.db2.gz PIVVCZRQLVJVPM-DLBZAZTESA-N 2 2 338.499 3.211 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566229854 459826872 /nfs/dbraw/zinc/82/68/72/459826872.db2.gz PIVVCZRQLVJVPM-DLBZAZTESA-N 2 2 338.499 3.211 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000597242215 459892469 /nfs/dbraw/zinc/89/24/69/459892469.db2.gz VIYWPWUTYDDLEV-ICSRJNTNSA-N 2 2 341.455 3.392 20 0 EGADLP CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCc3cc[nH+]cc3C)ccc2NC1=O ZINC000575284599 459957049 /nfs/dbraw/zinc/95/70/49/459957049.db2.gz UKATYGDZUPYCNL-RDTXWAMCSA-N 2 2 339.439 3.393 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1ccccc1-n1cncn1)c1ccccc1 ZINC000588691373 459969729 /nfs/dbraw/zinc/96/97/29/459969729.db2.gz MGMDLHZNWIAZKJ-NRFANRHFSA-N 2 2 349.482 3.440 20 0 EGADLP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000576031333 460056168 /nfs/dbraw/zinc/05/61/68/460056168.db2.gz NXSCUMKRRMKAFA-JXFKEZNVSA-N 2 2 325.456 3.296 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782144 460061615 /nfs/dbraw/zinc/06/16/15/460061615.db2.gz NBKLFONFXGQCAU-GHTZIAJQSA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782144 460061622 /nfs/dbraw/zinc/06/16/22/460061622.db2.gz NBKLFONFXGQCAU-GHTZIAJQSA-N 2 2 335.451 3.252 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000589641638 460118977 /nfs/dbraw/zinc/11/89/77/460118977.db2.gz VLHBXIUWHHJXNQ-UHFFFAOYSA-N 2 2 338.430 3.456 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2n1C ZINC000618670936 460123432 /nfs/dbraw/zinc/12/34/32/460123432.db2.gz WQOXNCMHPKVFPR-MRXNPFEDSA-N 2 2 340.471 3.019 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2n1C ZINC000618670936 460123438 /nfs/dbraw/zinc/12/34/38/460123438.db2.gz WQOXNCMHPKVFPR-MRXNPFEDSA-N 2 2 340.471 3.019 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000599041884 460136325 /nfs/dbraw/zinc/13/63/25/460136325.db2.gz CYPZKGGGPIJGEV-OYGLOCFBSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000599041884 460136329 /nfs/dbraw/zinc/13/63/29/460136329.db2.gz CYPZKGGGPIJGEV-OYGLOCFBSA-N 2 2 344.499 3.218 20 0 EGADLP CSC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000602920821 460185100 /nfs/dbraw/zinc/18/51/00/460185100.db2.gz NGNRJRDEISHLCD-GOSISDBHSA-N 2 2 334.529 3.105 20 0 EGADLP CSC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000602920821 460185105 /nfs/dbraw/zinc/18/51/05/460185105.db2.gz NGNRJRDEISHLCD-GOSISDBHSA-N 2 2 334.529 3.105 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(CC)CC[NH3+])c1 ZINC000625868656 460288112 /nfs/dbraw/zinc/28/81/12/460288112.db2.gz ISERPOPCISQQQH-UHFFFAOYSA-N 2 2 329.448 3.163 20 0 EGADLP c1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517190 460315546 /nfs/dbraw/zinc/31/55/46/460315546.db2.gz HWQZOHRDKUEESA-FQEVSTJZSA-N 2 2 344.499 3.208 20 0 EGADLP CC[N@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062699 460357787 /nfs/dbraw/zinc/35/77/87/460357787.db2.gz CJWCFASNQKVJPW-UHFFFAOYSA-N 2 2 349.482 3.351 20 0 EGADLP CC[N@@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062699 460357793 /nfs/dbraw/zinc/35/77/93/460357793.db2.gz CJWCFASNQKVJPW-UHFFFAOYSA-N 2 2 349.482 3.351 20 0 EGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000631442028 460380937 /nfs/dbraw/zinc/38/09/37/460380937.db2.gz UPMZECLTNLJYDB-YOEHRIQHSA-N 2 2 326.444 3.022 20 0 EGADLP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000631442028 460380942 /nfs/dbraw/zinc/38/09/42/460380942.db2.gz UPMZECLTNLJYDB-YOEHRIQHSA-N 2 2 326.444 3.022 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000623051776 460399069 /nfs/dbraw/zinc/39/90/69/460399069.db2.gz RTDPWYNSZNZRAG-CMPLNLGQSA-N 2 2 338.249 3.163 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000623051776 460399071 /nfs/dbraw/zinc/39/90/71/460399071.db2.gz RTDPWYNSZNZRAG-CMPLNLGQSA-N 2 2 338.249 3.163 20 0 EGADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631526582 460426060 /nfs/dbraw/zinc/42/60/60/460426060.db2.gz NZWHXISXYUNTNS-QGZVFWFLSA-N 2 2 326.444 3.023 20 0 EGADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631526582 460426068 /nfs/dbraw/zinc/42/60/68/460426068.db2.gz NZWHXISXYUNTNS-QGZVFWFLSA-N 2 2 326.444 3.023 20 0 EGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000631569613 460448344 /nfs/dbraw/zinc/44/83/44/460448344.db2.gz LEDZNSYYBBZOTJ-OAQYLSRUSA-N 2 2 337.467 3.332 20 0 EGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000631583642 460457156 /nfs/dbraw/zinc/45/71/56/460457156.db2.gz ZVBJOPJSLYDKNY-DLBZAZTESA-N 2 2 329.488 3.047 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631605851 460470110 /nfs/dbraw/zinc/47/01/10/460470110.db2.gz LCEAPVYNUDGWMU-JVPBZIDWSA-N 2 2 325.456 3.146 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](O)C(F)(F)F ZINC000631714047 460528324 /nfs/dbraw/zinc/52/83/24/460528324.db2.gz COKVIVPQUQHFCG-RCBQFDQVSA-N 2 2 341.377 3.471 20 0 EGADLP Cc1cn2ccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2[nH+]1 ZINC000635323947 460744953 /nfs/dbraw/zinc/74/49/53/460744953.db2.gz FJRHABDQWVEJJH-MRXNPFEDSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1cn2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2[nH+]1 ZINC000635323947 460744961 /nfs/dbraw/zinc/74/49/61/460744961.db2.gz FJRHABDQWVEJJH-MRXNPFEDSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1csc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000623943910 460789813 /nfs/dbraw/zinc/78/98/13/460789813.db2.gz OGJGBGQZTQGSLI-HIFRSBDPSA-N 2 2 331.489 3.160 20 0 EGADLP c1cn(-c2cc(NCC3([NH+]4CCCCC4)CCCCC3)ncn2)c[nH+]1 ZINC000607141853 460795365 /nfs/dbraw/zinc/79/53/65/460795365.db2.gz WGJGEPLKHGBOSR-UHFFFAOYSA-N 2 2 340.475 3.263 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629561281 460809072 /nfs/dbraw/zinc/80/90/72/460809072.db2.gz HNLOYJDFRSQBBX-NWDGAFQWSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629561281 460809076 /nfs/dbraw/zinc/80/90/76/460809076.db2.gz HNLOYJDFRSQBBX-NWDGAFQWSA-N 2 2 336.785 3.308 20 0 EGADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477136 460818366 /nfs/dbraw/zinc/81/83/66/460818366.db2.gz DWYQYYUSAKFHMI-HXUWFJFHSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477136 460818369 /nfs/dbraw/zinc/81/83/69/460818369.db2.gz DWYQYYUSAKFHMI-HXUWFJFHSA-N 2 2 343.515 3.051 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c2ccccc21 ZINC000629653217 460847148 /nfs/dbraw/zinc/84/71/48/460847148.db2.gz CZKTVFTYRZTDIA-TZMCWYRMSA-N 2 2 340.393 3.015 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c2ccccc21 ZINC000629653217 460847152 /nfs/dbraw/zinc/84/71/52/460847152.db2.gz CZKTVFTYRZTDIA-TZMCWYRMSA-N 2 2 340.393 3.015 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000629653215 460847721 /nfs/dbraw/zinc/84/77/21/460847721.db2.gz CZKTVFTYRZTDIA-JSGCOSHPSA-N 2 2 340.393 3.015 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2ccccc21 ZINC000629653215 460847726 /nfs/dbraw/zinc/84/77/26/460847726.db2.gz CZKTVFTYRZTDIA-JSGCOSHPSA-N 2 2 340.393 3.015 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078154 460848252 /nfs/dbraw/zinc/84/82/52/460848252.db2.gz UPEFDIKLILOZER-ICSRJNTNSA-N 2 2 341.499 3.481 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c2ccccc21 ZINC000624078154 460848257 /nfs/dbraw/zinc/84/82/57/460848257.db2.gz UPEFDIKLILOZER-ICSRJNTNSA-N 2 2 341.499 3.481 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1OCC(F)(F)F ZINC000629660412 460854087 /nfs/dbraw/zinc/85/40/87/460854087.db2.gz TYKAQEJICBCXMS-OCCSQVGLSA-N 2 2 346.393 3.257 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607729288 460892736 /nfs/dbraw/zinc/89/27/36/460892736.db2.gz NEVJQZCTWPOORZ-RDJZCZTQSA-N 2 2 337.427 3.255 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607729288 460892740 /nfs/dbraw/zinc/89/27/40/460892740.db2.gz NEVJQZCTWPOORZ-RDJZCZTQSA-N 2 2 337.427 3.255 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290023 460945866 /nfs/dbraw/zinc/94/58/66/460945866.db2.gz UOQLMTMXUCKSBD-LQAWEQHXSA-N 2 2 343.298 3.489 20 0 EGADLP CC(C)c1cc(N2CCC([NH+]3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000624404257 460990048 /nfs/dbraw/zinc/99/00/48/460990048.db2.gz LMNBXOSUUIZFNJ-UHFFFAOYSA-N 2 2 332.492 3.024 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000613664049 461030095 /nfs/dbraw/zinc/03/00/95/461030095.db2.gz BCOQLKAYYJSTEV-IAGOWNOFSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1noc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000608374888 461048460 /nfs/dbraw/zinc/04/84/60/461048460.db2.gz XRAADXXOHRYEMP-AWEZNQCLSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1noc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000608374888 461048463 /nfs/dbraw/zinc/04/84/63/461048463.db2.gz XRAADXXOHRYEMP-AWEZNQCLSA-N 2 2 340.427 3.454 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(Br)cn1 ZINC000628279943 461069995 /nfs/dbraw/zinc/06/99/95/461069995.db2.gz IWJHITLLGWQBQF-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(Br)cn1 ZINC000628279943 461070001 /nfs/dbraw/zinc/07/00/01/461070001.db2.gz IWJHITLLGWQBQF-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)cc2[nH+]1 ZINC000668157406 461144173 /nfs/dbraw/zinc/14/41/73/461144173.db2.gz PSPODKDTAXAGJE-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168805 /nfs/dbraw/zinc/16/88/05/461168805.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168810 /nfs/dbraw/zinc/16/88/10/461168810.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168815 /nfs/dbraw/zinc/16/88/15/461168815.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549158 461168822 /nfs/dbraw/zinc/16/88/22/461168822.db2.gz WCVPALCYWFDHJL-GHTZIAJQSA-N 2 2 338.499 3.312 20 0 EGADLP Fc1cccc([C@@H]2COCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662310017 461182625 /nfs/dbraw/zinc/18/26/25/461182625.db2.gz GHESXAMXDPPANI-FQEVSTJZSA-N 2 2 326.415 3.045 20 0 EGADLP Fc1cccc([C@@H]2COCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662310017 461182630 /nfs/dbraw/zinc/18/26/30/461182630.db2.gz GHESXAMXDPPANI-FQEVSTJZSA-N 2 2 326.415 3.045 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173386 461286760 /nfs/dbraw/zinc/28/67/60/461286760.db2.gz WRPYGITZRDPIOL-XJKSGUPXSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173386 461286767 /nfs/dbraw/zinc/28/67/67/461286767.db2.gz WRPYGITZRDPIOL-XJKSGUPXSA-N 2 2 333.407 3.123 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718768 461299369 /nfs/dbraw/zinc/29/93/69/461299369.db2.gz GEQAIYOXELYUBM-NJDAHSKKSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718768 461299374 /nfs/dbraw/zinc/29/93/74/461299374.db2.gz GEQAIYOXELYUBM-NJDAHSKKSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718768 461299379 /nfs/dbraw/zinc/29/93/79/461299379.db2.gz GEQAIYOXELYUBM-NJDAHSKKSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718768 461299384 /nfs/dbraw/zinc/29/93/84/461299384.db2.gz GEQAIYOXELYUBM-NJDAHSKKSA-N 2 2 346.515 3.167 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC4(CC4(F)F)CC3)c2cc1C ZINC000649776735 461339390 /nfs/dbraw/zinc/33/93/90/461339390.db2.gz VDUFAXWHVHHIBV-OAHLLOKOSA-N 2 2 349.425 3.135 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694826 461367593 /nfs/dbraw/zinc/36/75/93/461367593.db2.gz GVIKHPQTACSMGE-AZUAARDMSA-N 2 2 332.488 3.235 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638324699 461368581 /nfs/dbraw/zinc/36/85/81/461368581.db2.gz UIUNYCMFOLQVEN-CTNGQTDRSA-N 2 2 349.478 3.243 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638324699 461368591 /nfs/dbraw/zinc/36/85/91/461368591.db2.gz UIUNYCMFOLQVEN-CTNGQTDRSA-N 2 2 349.478 3.243 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638337772 461374452 /nfs/dbraw/zinc/37/44/52/461374452.db2.gz JSLANAUQUJLLCG-UHFFFAOYSA-N 2 2 340.265 3.410 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638337772 461374460 /nfs/dbraw/zinc/37/44/60/461374460.db2.gz JSLANAUQUJLLCG-UHFFFAOYSA-N 2 2 340.265 3.410 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cs2)c1OC ZINC000641801201 461380781 /nfs/dbraw/zinc/38/07/81/461380781.db2.gz AZIIRRZELFRQGC-CABCVRRESA-N 2 2 347.484 3.043 20 0 EGADLP Cc1cnc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)s1 ZINC000655720502 461389607 /nfs/dbraw/zinc/38/96/07/461389607.db2.gz YFOZHNWFWIKWLW-IRXDYDNUSA-N 2 2 335.517 3.136 20 0 EGADLP Cc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655730359 461399515 /nfs/dbraw/zinc/39/95/15/461399515.db2.gz OIDWSOKCRHXTIC-RTWAWAEBSA-N 2 2 328.500 3.159 20 0 EGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(F)cc2O1 ZINC000655733165 461401694 /nfs/dbraw/zinc/40/16/94/461401694.db2.gz JQBUYNVOJSINNH-WMZOPIPTSA-N 2 2 348.462 3.271 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668738435 461406584 /nfs/dbraw/zinc/40/65/84/461406584.db2.gz COOSYMYRPXMBBX-QGZVFWFLSA-N 2 2 342.405 3.045 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668738435 461406592 /nfs/dbraw/zinc/40/65/92/461406592.db2.gz COOSYMYRPXMBBX-QGZVFWFLSA-N 2 2 342.405 3.045 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000668741587 461411011 /nfs/dbraw/zinc/41/10/11/461411011.db2.gz VFIWOBLVMOCFFA-INIZCTEOSA-N 2 2 344.430 3.117 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000668741587 461411021 /nfs/dbraw/zinc/41/10/21/461411021.db2.gz VFIWOBLVMOCFFA-INIZCTEOSA-N 2 2 344.430 3.117 20 0 EGADLP Fc1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655765104 461431491 /nfs/dbraw/zinc/43/14/91/461431491.db2.gz YOTYLCCITRQHJG-UXPWSPDFSA-N 2 2 332.463 3.305 20 0 EGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000638449735 461433418 /nfs/dbraw/zinc/43/34/18/461433418.db2.gz DVCYKYRDGMDOOL-UHFFFAOYSA-N 2 2 331.287 3.318 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2O1 ZINC000655772157 461438749 /nfs/dbraw/zinc/43/87/49/461438749.db2.gz BMZYBYBYTMOITC-HHXXYDBFSA-N 2 2 330.472 3.132 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](CCC4CCC4)C3)CC2)nc1 ZINC000659867124 461468316 /nfs/dbraw/zinc/46/83/16/461468316.db2.gz VHBRRQASKZRIAP-HXUWFJFHSA-N 2 2 342.531 3.106 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](CCC4CCC4)C3)CC2)nc1 ZINC000659867124 461468324 /nfs/dbraw/zinc/46/83/24/461468324.db2.gz VHBRRQASKZRIAP-HXUWFJFHSA-N 2 2 342.531 3.106 20 0 EGADLP Cc1ccc(Oc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)cc1 ZINC000653058437 461479803 /nfs/dbraw/zinc/47/98/03/461479803.db2.gz TYHWJBDADKQEFD-SFHVURJKSA-N 2 2 327.428 3.005 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(Cl)cc1O ZINC000638566704 461489338 /nfs/dbraw/zinc/48/93/38/461489338.db2.gz NPRJWALIRNFBSK-ZDUSSCGKSA-N 2 2 326.868 3.264 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(Cl)cc1O ZINC000638566704 461489349 /nfs/dbraw/zinc/48/93/49/461489349.db2.gz NPRJWALIRNFBSK-ZDUSSCGKSA-N 2 2 326.868 3.264 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655850288 461498149 /nfs/dbraw/zinc/49/81/49/461498149.db2.gz UEBNLYXFFOWJGH-JQHSSLGASA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655850288 461498155 /nfs/dbraw/zinc/49/81/55/461498155.db2.gz UEBNLYXFFOWJGH-JQHSSLGASA-N 2 2 332.488 3.241 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Cl)c1OC ZINC000655857870 461507326 /nfs/dbraw/zinc/50/73/26/461507326.db2.gz XGYGNKRLFAKPOS-JKSUJKDBSA-N 2 2 338.879 3.464 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(Cl)c1OC ZINC000655857870 461507331 /nfs/dbraw/zinc/50/73/31/461507331.db2.gz XGYGNKRLFAKPOS-JKSUJKDBSA-N 2 2 338.879 3.464 20 0 EGADLP CO[C@]1(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)CCOC1 ZINC000638639106 461513572 /nfs/dbraw/zinc/51/35/72/461513572.db2.gz IPVXIEQQNKTEIU-XLIONFOSSA-N 2 2 332.488 3.045 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647169099 461538127 /nfs/dbraw/zinc/53/81/27/461538127.db2.gz ZSIADSPHKWUOTJ-UHFFFAOYSA-N 2 2 349.219 3.234 20 0 EGADLP Brc1cnccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000631081909 461532314 /nfs/dbraw/zinc/53/23/14/461532314.db2.gz BOYHGEUNYNHYHF-UHFFFAOYSA-N 2 2 338.293 3.341 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638721994 461548903 /nfs/dbraw/zinc/54/89/03/461548903.db2.gz YZLPEWHJOPAEHA-UXPWSPDFSA-N 2 2 338.499 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638721994 461548908 /nfs/dbraw/zinc/54/89/08/461548908.db2.gz YZLPEWHJOPAEHA-UXPWSPDFSA-N 2 2 338.499 3.371 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000647185270 461549706 /nfs/dbraw/zinc/54/97/06/461549706.db2.gz WKBKMRWLMFQLTC-UHFFFAOYSA-N 2 2 325.460 3.148 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000631122642 461570036 /nfs/dbraw/zinc/57/00/36/461570036.db2.gz VFIDOTMTIVJWRW-LJQANCHMSA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000631122642 461570041 /nfs/dbraw/zinc/57/00/41/461570041.db2.gz VFIDOTMTIVJWRW-LJQANCHMSA-N 2 2 343.515 3.271 20 0 EGADLP COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Cl ZINC000660118772 461591479 /nfs/dbraw/zinc/59/14/79/461591479.db2.gz WKHWSBSVMMGREF-HLLBOEOZSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1Cl ZINC000660118772 461591490 /nfs/dbraw/zinc/59/14/90/461591490.db2.gz WKHWSBSVMMGREF-HLLBOEOZSA-N 2 2 338.879 3.032 20 0 EGADLP Brc1cccc2c(N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc[nH+]c12 ZINC000643034228 461593968 /nfs/dbraw/zinc/59/39/68/461593968.db2.gz VSALZVNMCNXEPH-SMDDNHRTSA-N 2 2 332.245 3.186 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638864320 461624648 /nfs/dbraw/zinc/62/46/48/461624648.db2.gz RZSHBRPIONZYED-UHFFFAOYSA-N 2 2 340.265 3.412 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)oc21 ZINC000660255877 461669608 /nfs/dbraw/zinc/66/96/08/461669608.db2.gz AWVAZSXHNVPVHK-GDBMZVCRSA-N 2 2 334.460 3.183 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255877 461669616 /nfs/dbraw/zinc/66/96/16/461669616.db2.gz AWVAZSXHNVPVHK-GDBMZVCRSA-N 2 2 334.460 3.183 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656253162 461676158 /nfs/dbraw/zinc/67/61/58/461676158.db2.gz JIQZSEKLYTWCDW-KRWDZBQOSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656253162 461676167 /nfs/dbraw/zinc/67/61/67/461676167.db2.gz JIQZSEKLYTWCDW-KRWDZBQOSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000656260230 461684562 /nfs/dbraw/zinc/68/45/62/461684562.db2.gz LRQMLUWDRHETBV-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000656260230 461684568 /nfs/dbraw/zinc/68/45/68/461684568.db2.gz LRQMLUWDRHETBV-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656260230 461684575 /nfs/dbraw/zinc/68/45/75/461684575.db2.gz LRQMLUWDRHETBV-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656260230 461684581 /nfs/dbraw/zinc/68/45/81/461684581.db2.gz LRQMLUWDRHETBV-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631286368 461693210 /nfs/dbraw/zinc/69/32/10/461693210.db2.gz VOCTWGRQGHTIMQ-QGZVFWFLSA-N 2 2 326.444 3.071 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631286368 461693215 /nfs/dbraw/zinc/69/32/15/461693215.db2.gz VOCTWGRQGHTIMQ-QGZVFWFLSA-N 2 2 326.444 3.071 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000656277381 461700938 /nfs/dbraw/zinc/70/09/38/461700938.db2.gz MJMYCBXMCAZMQW-JQHSSLGASA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1O ZINC000656277381 461700941 /nfs/dbraw/zinc/70/09/41/461700941.db2.gz MJMYCBXMCAZMQW-JQHSSLGASA-N 2 2 332.488 3.328 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643502035 461746755 /nfs/dbraw/zinc/74/67/55/461746755.db2.gz WKZNKRIMAQZVBL-CRAIPNDOSA-N 2 2 332.492 3.353 20 0 EGADLP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)[C@H]2CCCO2)cc1 ZINC000643505774 461749126 /nfs/dbraw/zinc/74/91/26/461749126.db2.gz KJVDAWGDBVMHAT-OAGGEKHMSA-N 2 2 339.277 3.011 20 0 EGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643537610 461757325 /nfs/dbraw/zinc/75/73/25/461757325.db2.gz MWJFDYFUMYDMHP-BJLQDIEVSA-N 2 2 346.421 3.408 20 0 EGADLP C[NH2+][C@@H](c1nc(C2([NH3+])CCC2)no1)c1cccc(Cl)c1Cl ZINC000656561158 461786635 /nfs/dbraw/zinc/78/66/35/461786635.db2.gz RLPMYMDODXLCSG-LLVKDONJSA-N 2 2 327.215 3.023 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)C[C@@H]3CCCC(=O)N3)cc2)c1C ZINC000639199511 461797558 /nfs/dbraw/zinc/79/75/58/461797558.db2.gz YDAULQALNGPTDL-GUYCJALGSA-N 2 2 326.444 3.348 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647786251 461834250 /nfs/dbraw/zinc/83/42/50/461834250.db2.gz LQOAHXSXKQVJFQ-DXBBTUNJSA-N 3 2 341.543 3.437 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc2)cs1 ZINC000656694388 461845225 /nfs/dbraw/zinc/84/52/25/461845225.db2.gz LCEVGPMXVFXDCJ-KDOFPFPSSA-N 2 2 347.528 3.470 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc2)cs1 ZINC000656694388 461845234 /nfs/dbraw/zinc/84/52/34/461845234.db2.gz LCEVGPMXVFXDCJ-KDOFPFPSSA-N 2 2 347.528 3.470 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814887 461850170 /nfs/dbraw/zinc/85/01/70/461850170.db2.gz KAYFZLYGVWLPPN-CQSZACIVSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814887 461850180 /nfs/dbraw/zinc/85/01/80/461850180.db2.gz KAYFZLYGVWLPPN-CQSZACIVSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000666886310 461852433 /nfs/dbraw/zinc/85/24/33/461852433.db2.gz NWRJCIMKPOAQNR-UZLBHIALSA-N 2 2 347.466 3.164 20 0 EGADLP COc1cc2cc[nH+]c(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)c2cc1OC ZINC000663904686 461863430 /nfs/dbraw/zinc/86/34/30/461863430.db2.gz DSDJFRAPVKCDDF-GDBMZVCRSA-N 2 2 341.455 3.315 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954365 461886372 /nfs/dbraw/zinc/88/63/72/461886372.db2.gz VLUFSRDUFXMVNQ-SFHVURJKSA-N 3 2 333.907 3.036 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCC1 ZINC000656788862 461899221 /nfs/dbraw/zinc/89/92/21/461899221.db2.gz FAMNIFQIPRJICM-MRXNPFEDSA-N 2 2 338.879 3.259 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)ccc1Oc1cc[nH+]cc1 ZINC000644157345 461902384 /nfs/dbraw/zinc/90/23/84/461902384.db2.gz SZGHBKHNIDHHBX-HNNXBMFYSA-N 2 2 347.365 3.366 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000660653678 461904495 /nfs/dbraw/zinc/90/44/95/461904495.db2.gz CTJYYMLSIOORSQ-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000660653678 461904501 /nfs/dbraw/zinc/90/45/01/461904501.db2.gz CTJYYMLSIOORSQ-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)co2)cc1 ZINC000660653678 461904505 /nfs/dbraw/zinc/90/45/05/461904505.db2.gz CTJYYMLSIOORSQ-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)co2)cc1 ZINC000660653678 461904510 /nfs/dbraw/zinc/90/45/10/461904510.db2.gz CTJYYMLSIOORSQ-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656584 461907401 /nfs/dbraw/zinc/90/74/01/461907401.db2.gz MXQHCOFMBPOCAU-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656584 461907407 /nfs/dbraw/zinc/90/74/07/461907407.db2.gz MXQHCOFMBPOCAU-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656584 461907409 /nfs/dbraw/zinc/90/74/09/461907409.db2.gz MXQHCOFMBPOCAU-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656584 461907413 /nfs/dbraw/zinc/90/74/13/461907413.db2.gz MXQHCOFMBPOCAU-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657562 461907518 /nfs/dbraw/zinc/90/75/18/461907518.db2.gz YCMPVLWEFNFXIY-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657562 461907522 /nfs/dbraw/zinc/90/75/22/461907522.db2.gz YCMPVLWEFNFXIY-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660657562 461907529 /nfs/dbraw/zinc/90/75/29/461907529.db2.gz YCMPVLWEFNFXIY-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000660657562 461907530 /nfs/dbraw/zinc/90/75/30/461907530.db2.gz YCMPVLWEFNFXIY-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657560 461908159 /nfs/dbraw/zinc/90/81/59/461908159.db2.gz YCMPVLWEFNFXIY-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657560 461908162 /nfs/dbraw/zinc/90/81/62/461908162.db2.gz YCMPVLWEFNFXIY-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660657560 461908168 /nfs/dbraw/zinc/90/81/68/461908168.db2.gz YCMPVLWEFNFXIY-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000660657560 461908173 /nfs/dbraw/zinc/90/81/73/461908173.db2.gz YCMPVLWEFNFXIY-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970913 461913950 /nfs/dbraw/zinc/91/39/50/461913950.db2.gz LMHSYQBDIVOOER-RHSMWYFYSA-N 2 2 330.875 3.467 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970913 461913957 /nfs/dbraw/zinc/91/39/57/461913957.db2.gz LMHSYQBDIVOOER-RHSMWYFYSA-N 2 2 330.875 3.467 20 0 EGADLP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673753 461918081 /nfs/dbraw/zinc/91/80/81/461918081.db2.gz DYBZFUUZEGHQFQ-ROUUACIJSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673872 461918269 /nfs/dbraw/zinc/91/82/69/461918269.db2.gz JGJNKWKGVOLWIC-KRWDZBQOSA-N 2 2 343.515 3.078 20 0 EGADLP Fc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000647990399 461926467 /nfs/dbraw/zinc/92/64/67/461926467.db2.gz XLBWGOGVLCASTF-ABAIWWIYSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000647990399 461926474 /nfs/dbraw/zinc/92/64/74/461926474.db2.gz XLBWGOGVLCASTF-ABAIWWIYSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc(Br)cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647990369 461927335 /nfs/dbraw/zinc/92/73/35/461927335.db2.gz RPULYOURHSSQLO-IAQYHMDHSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc(Br)cc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647990369 461927339 /nfs/dbraw/zinc/92/73/39/461927339.db2.gz RPULYOURHSSQLO-IAQYHMDHSA-N 2 2 327.241 3.335 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751848 461933482 /nfs/dbraw/zinc/93/34/82/461933482.db2.gz CLPVYZNLZGQQHU-HRAATJIYSA-N 3 2 341.474 3.285 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751848 461933487 /nfs/dbraw/zinc/93/34/87/461933487.db2.gz CLPVYZNLZGQQHU-HRAATJIYSA-N 3 2 341.474 3.285 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000648011090 461939892 /nfs/dbraw/zinc/93/98/92/461939892.db2.gz DEHMVFJBVGIXSK-KRWDZBQOSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000648011090 461939895 /nfs/dbraw/zinc/93/98/95/461939895.db2.gz DEHMVFJBVGIXSK-KRWDZBQOSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000648011090 461939901 /nfs/dbraw/zinc/93/99/01/461939901.db2.gz DEHMVFJBVGIXSK-KRWDZBQOSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000648011090 461939905 /nfs/dbraw/zinc/93/99/05/461939905.db2.gz DEHMVFJBVGIXSK-KRWDZBQOSA-N 2 2 342.487 3.152 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2F)n1C ZINC000648057276 461961088 /nfs/dbraw/zinc/96/10/88/461961088.db2.gz NIFNVAPEECOHSZ-LJQANCHMSA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2F)n1C ZINC000648057276 461961092 /nfs/dbraw/zinc/96/10/92/461961092.db2.gz NIFNVAPEECOHSZ-LJQANCHMSA-N 2 2 330.451 3.222 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(-c3cccs3)s1)CCO2 ZINC000648071734 461967819 /nfs/dbraw/zinc/96/78/19/461967819.db2.gz RDHXSPVPBWCQPI-UHFFFAOYSA-N 2 2 349.525 3.168 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(-c3cccs3)s1)CCO2 ZINC000648071734 461967826 /nfs/dbraw/zinc/96/78/26/461967826.db2.gz RDHXSPVPBWCQPI-UHFFFAOYSA-N 2 2 349.525 3.168 20 0 EGADLP c1c(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nn2c1CCC2 ZINC000660857935 461998550 /nfs/dbraw/zinc/99/85/50/461998550.db2.gz YVYQQZIUNRJPEH-UHFFFAOYSA-N 2 2 335.455 3.160 20 0 EGADLP Cc1cc2cc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)ccc2[nH]1 ZINC000644646654 462021097 /nfs/dbraw/zinc/02/10/97/462021097.db2.gz QONLAWTYMXYPTC-HXUWFJFHSA-N 2 2 337.467 3.059 20 0 EGADLP Cc1cc2cc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)ccc2[nH]1 ZINC000644646654 462021101 /nfs/dbraw/zinc/02/11/01/462021101.db2.gz QONLAWTYMXYPTC-HXUWFJFHSA-N 2 2 337.467 3.059 20 0 EGADLP Cc1cc2cc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)ccc2[nH]1 ZINC000644646653 462021172 /nfs/dbraw/zinc/02/11/72/462021172.db2.gz QONLAWTYMXYPTC-FQEVSTJZSA-N 2 2 337.467 3.059 20 0 EGADLP Cc1cc2cc(C[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)ccc2[nH]1 ZINC000644646653 462021175 /nfs/dbraw/zinc/02/11/75/462021175.db2.gz QONLAWTYMXYPTC-FQEVSTJZSA-N 2 2 337.467 3.059 20 0 EGADLP CC[C@@H](C[NH2+]Cc1c(C2CC2)cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000657300303 462028646 /nfs/dbraw/zinc/02/86/46/462028646.db2.gz LFQJWFOFOAQODY-IBGZPJMESA-N 2 2 338.499 3.224 20 0 EGADLP CC[C@@H](C[NH2+]Cc1c(C2CC2)cnn1C)[N@H+]1CCc2ccccc2C1 ZINC000657300303 462028650 /nfs/dbraw/zinc/02/86/50/462028650.db2.gz LFQJWFOFOAQODY-IBGZPJMESA-N 2 2 338.499 3.224 20 0 EGADLP c1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(CC2CC2)n1 ZINC000657308717 462031977 /nfs/dbraw/zinc/03/19/77/462031977.db2.gz ATWKYGONWIPIES-UHFFFAOYSA-N 2 2 338.499 3.090 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000667345704 462050259 /nfs/dbraw/zinc/05/02/59/462050259.db2.gz OJAQRRSEPRFMRR-JKSUJKDBSA-N 2 2 345.491 3.032 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657399224 462098735 /nfs/dbraw/zinc/09/87/35/462098735.db2.gz QYVMQXIXOFOZMP-IAGOWNOFSA-N 3 2 338.499 3.076 20 0 EGADLP O[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)C1 ZINC000664597428 462119297 /nfs/dbraw/zinc/11/92/97/462119297.db2.gz OAHNSABHQAHYCR-ZDUSSCGKSA-N 2 2 349.837 3.063 20 0 EGADLP O[C@H]1CC[N@H+](C2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)C1 ZINC000664597428 462119301 /nfs/dbraw/zinc/11/93/01/462119301.db2.gz OAHNSABHQAHYCR-ZDUSSCGKSA-N 2 2 349.837 3.063 20 0 EGADLP Cn1cc(CC[NH2+]Cc2c[nH+]c3n2CCC3)c2ccc(Cl)cc21 ZINC000657444236 462127715 /nfs/dbraw/zinc/12/77/15/462127715.db2.gz WSMKWUKYBJNFFL-UHFFFAOYSA-N 2 2 328.847 3.307 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561111 462144166 /nfs/dbraw/zinc/14/41/66/462144166.db2.gz LJGHWMKXBHGCDC-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561111 462144169 /nfs/dbraw/zinc/14/41/69/462144169.db2.gz LJGHWMKXBHGCDC-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561111 462144175 /nfs/dbraw/zinc/14/41/75/462144175.db2.gz LJGHWMKXBHGCDC-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561111 462144182 /nfs/dbraw/zinc/14/41/82/462144182.db2.gz LJGHWMKXBHGCDC-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C ZINC000667589812 462162805 /nfs/dbraw/zinc/16/28/05/462162805.db2.gz DCXLCEFJDUMSAJ-UHFFFAOYSA-N 3 2 326.488 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C ZINC000667589812 462162811 /nfs/dbraw/zinc/16/28/11/462162811.db2.gz DCXLCEFJDUMSAJ-UHFFFAOYSA-N 3 2 326.488 3.073 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)[nH+]1 ZINC000667614831 462174873 /nfs/dbraw/zinc/17/48/73/462174873.db2.gz IAVBXHXVZLGZEU-IAGOWNOFSA-N 2 2 330.476 3.250 20 0 EGADLP CCCn1nccc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659415 462195149 /nfs/dbraw/zinc/19/51/49/462195149.db2.gz GYEQTXKDBOGKPJ-UHFFFAOYSA-N 2 2 341.503 3.427 20 0 EGADLP CCCn1nccc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000667659415 462195158 /nfs/dbraw/zinc/19/51/58/462195158.db2.gz GYEQTXKDBOGKPJ-UHFFFAOYSA-N 2 2 341.503 3.427 20 0 EGADLP Clc1ccc(C[C@@]2([NH2+]Cc3c[nH+]c4n3CCC4)CCCOC2)cc1 ZINC000657601335 462201243 /nfs/dbraw/zinc/20/12/43/462201243.db2.gz IVYHXJJFHUFGOL-IBGZPJMESA-N 2 2 345.874 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988389 462207463 /nfs/dbraw/zinc/20/74/63/462207463.db2.gz QSQPHEYIXFBGFP-GOSISDBHSA-N 2 2 335.536 3.118 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000639988638 462207849 /nfs/dbraw/zinc/20/78/49/462207849.db2.gz WIGXSNYPGRAVBE-GOSISDBHSA-N 2 2 335.536 3.118 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000657647263 462215260 /nfs/dbraw/zinc/21/52/60/462215260.db2.gz BHPPSCZESRLUNO-QYZOEREBSA-N 2 2 327.472 3.497 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657675778 462225638 /nfs/dbraw/zinc/22/56/38/462225638.db2.gz ZOFQCVBLSRCWGH-FUHWJXTLSA-N 2 2 329.488 3.400 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657675778 462225641 /nfs/dbraw/zinc/22/56/41/462225641.db2.gz ZOFQCVBLSRCWGH-FUHWJXTLSA-N 2 2 329.488 3.400 20 0 EGADLP CCCCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751444 462251925 /nfs/dbraw/zinc/25/19/25/462251925.db2.gz JGVLCTVJEDZBSP-LJQANCHMSA-N 2 2 332.488 3.208 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752865 462252411 /nfs/dbraw/zinc/25/24/11/462252411.db2.gz SYERQVICWLAGDI-INIZCTEOSA-N 2 2 338.879 3.082 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCn4nccc43)CC2)cc1 ZINC000657843275 462294084 /nfs/dbraw/zinc/29/40/84/462294084.db2.gz DJYYLKUARWPQRP-SFHVURJKSA-N 2 2 328.435 3.111 20 0 EGADLP CC(C)c1cc(N2CCOC3(CC[NH+](C)CC3)C2)nc(C(C)C)[nH+]1 ZINC000645384873 462307247 /nfs/dbraw/zinc/30/72/47/462307247.db2.gz KZDAWWNAXPBDFR-UHFFFAOYSA-N 2 2 332.492 3.024 20 0 EGADLP c1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000667937365 462335127 /nfs/dbraw/zinc/33/51/27/462335127.db2.gz GOPSBFIDYWRMAG-PVAVHDDUSA-N 2 2 340.471 3.038 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000661642222 462345049 /nfs/dbraw/zinc/34/50/49/462345049.db2.gz CKEHUYDNIQBXAU-HXUWFJFHSA-N 2 2 334.467 3.083 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000661642222 462345056 /nfs/dbraw/zinc/34/50/56/462345056.db2.gz CKEHUYDNIQBXAU-HXUWFJFHSA-N 2 2 334.467 3.083 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661650446 462348567 /nfs/dbraw/zinc/34/85/67/462348567.db2.gz UIZZADYNODMBME-IBGZPJMESA-N 2 2 326.488 3.213 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661650446 462348572 /nfs/dbraw/zinc/34/85/72/462348572.db2.gz UIZZADYNODMBME-IBGZPJMESA-N 2 2 326.488 3.213 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCC1 ZINC000665246523 462366940 /nfs/dbraw/zinc/36/69/40/462366940.db2.gz HQQVVYPJIXDGGM-AQNXPRMDSA-N 3 2 327.516 3.291 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCC1 ZINC000665246523 462366945 /nfs/dbraw/zinc/36/69/45/462366945.db2.gz HQQVVYPJIXDGGM-AQNXPRMDSA-N 3 2 327.516 3.291 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000665257020 462373822 /nfs/dbraw/zinc/37/38/22/462373822.db2.gz WJFUALSXCNEZQU-FSPWUOQZSA-N 2 2 342.414 3.351 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000658090344 462378591 /nfs/dbraw/zinc/37/85/91/462378591.db2.gz GJQKTIZYWOHYNP-WBVHZDCISA-N 2 2 331.504 3.483 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000658090344 462378595 /nfs/dbraw/zinc/37/85/95/462378595.db2.gz GJQKTIZYWOHYNP-WBVHZDCISA-N 2 2 331.504 3.483 20 0 EGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000668079399 462408466 /nfs/dbraw/zinc/40/84/66/462408466.db2.gz ICGVNWVKQOSQIT-HNNXBMFYSA-N 2 2 328.460 3.276 20 0 EGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000668079399 462408473 /nfs/dbraw/zinc/40/84/73/462408473.db2.gz ICGVNWVKQOSQIT-HNNXBMFYSA-N 2 2 328.460 3.276 20 0 EGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230297 462436555 /nfs/dbraw/zinc/43/65/55/462436555.db2.gz XRHIBMCANOXCCI-ROUUACIJSA-N 2 2 335.536 3.164 20 0 EGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230297 462436559 /nfs/dbraw/zinc/43/65/59/462436559.db2.gz XRHIBMCANOXCCI-ROUUACIJSA-N 2 2 335.536 3.164 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000652135275 462444907 /nfs/dbraw/zinc/44/49/07/462444907.db2.gz LWGUAYDKVWTJNE-HXUWFJFHSA-N 2 2 325.456 3.255 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nc(-c3ccccc3)cs1)CCO2 ZINC000646105974 462518706 /nfs/dbraw/zinc/51/87/06/462518706.db2.gz NOXWQUWGRNXCES-UHFFFAOYSA-N 2 2 343.496 3.107 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nc(-c3ccccc3)cs1)CCO2 ZINC000646105974 462518708 /nfs/dbraw/zinc/51/87/08/462518708.db2.gz NOXWQUWGRNXCES-UHFFFAOYSA-N 2 2 343.496 3.107 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158867349 534639993 /nfs/dbraw/zinc/63/99/93/534639993.db2.gz DILYSCCDZNZVTE-IEBWSBKVSA-N 2 2 343.515 3.473 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158867349 534639997 /nfs/dbraw/zinc/63/99/97/534639997.db2.gz DILYSCCDZNZVTE-IEBWSBKVSA-N 2 2 343.515 3.473 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158867349 534640002 /nfs/dbraw/zinc/64/00/02/534640002.db2.gz DILYSCCDZNZVTE-IEBWSBKVSA-N 2 2 343.515 3.473 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158867349 534640009 /nfs/dbraw/zinc/64/00/09/534640009.db2.gz DILYSCCDZNZVTE-IEBWSBKVSA-N 2 2 343.515 3.473 20 0 EGADLP C[N@@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000351605280 536464208 /nfs/dbraw/zinc/46/42/08/536464208.db2.gz YPFOTAVNRCBGEH-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1ccc(Br)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000351605280 536464211 /nfs/dbraw/zinc/46/42/11/536464211.db2.gz YPFOTAVNRCBGEH-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(Br)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000351605280 536464213 /nfs/dbraw/zinc/46/42/13/536464213.db2.gz YPFOTAVNRCBGEH-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(Br)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351605280 536464216 /nfs/dbraw/zinc/46/42/16/536464216.db2.gz YPFOTAVNRCBGEH-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915704 527817215 /nfs/dbraw/zinc/81/72/15/527817215.db2.gz LLDMOAAWCPOMTH-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915704 527817219 /nfs/dbraw/zinc/81/72/19/527817219.db2.gz LLDMOAAWCPOMTH-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915704 527817222 /nfs/dbraw/zinc/81/72/22/527817222.db2.gz LLDMOAAWCPOMTH-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915704 527817229 /nfs/dbraw/zinc/81/72/29/527817229.db2.gz LLDMOAAWCPOMTH-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186828730 528605950 /nfs/dbraw/zinc/60/59/50/528605950.db2.gz QPPGQNCONNKELC-VQTJNVASSA-N 2 2 331.504 3.229 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cnc21 ZINC000173953666 528662247 /nfs/dbraw/zinc/66/22/47/528662247.db2.gz XESDFYMUCCBMGQ-GOSISDBHSA-N 2 2 329.492 3.318 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cnc21 ZINC000173953666 528662252 /nfs/dbraw/zinc/66/22/52/528662252.db2.gz XESDFYMUCCBMGQ-GOSISDBHSA-N 2 2 329.492 3.318 20 0 EGADLP CC(C)n1ncc2cc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cnc21 ZINC000173953666 528662257 /nfs/dbraw/zinc/66/22/57/528662257.db2.gz XESDFYMUCCBMGQ-GOSISDBHSA-N 2 2 329.492 3.318 20 0 EGADLP CC(C)n1ncc2cc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cnc21 ZINC000173953666 528662262 /nfs/dbraw/zinc/66/22/62/528662262.db2.gz XESDFYMUCCBMGQ-GOSISDBHSA-N 2 2 329.492 3.318 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1)C(C)C ZINC000154999492 528772525 /nfs/dbraw/zinc/77/25/25/528772525.db2.gz VVNLJJVKEXOHEK-UHFFFAOYSA-N 2 2 342.487 3.276 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1)C(C)C ZINC000154999492 528772531 /nfs/dbraw/zinc/77/25/31/528772531.db2.gz VVNLJJVKEXOHEK-UHFFFAOYSA-N 2 2 342.487 3.276 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000129405902 529052417 /nfs/dbraw/zinc/05/24/17/529052417.db2.gz KWJHMGIOZNQNDB-JENIJYKNSA-N 2 2 340.471 3.208 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000129405902 529052420 /nfs/dbraw/zinc/05/24/20/529052420.db2.gz KWJHMGIOZNQNDB-JENIJYKNSA-N 2 2 340.471 3.208 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CC(=O)NCc1ccc(F)cc1 ZINC000353359334 535727122 /nfs/dbraw/zinc/72/71/22/535727122.db2.gz TWYYAGBMPOAPJN-UHFFFAOYSA-N 2 2 343.446 3.100 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(=O)NCc1ccc(F)cc1 ZINC000353359334 535727127 /nfs/dbraw/zinc/72/71/27/535727127.db2.gz TWYYAGBMPOAPJN-UHFFFAOYSA-N 2 2 343.446 3.100 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755560 535804647 /nfs/dbraw/zinc/80/46/47/535804647.db2.gz REUPFFVYYIXRFY-NHCUHLMSSA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755560 535804648 /nfs/dbraw/zinc/80/46/48/535804648.db2.gz REUPFFVYYIXRFY-NHCUHLMSSA-N 2 2 342.458 3.286 20 0 EGADLP CCc1cccnc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000356839512 535990696 /nfs/dbraw/zinc/99/06/96/535990696.db2.gz DUUGGLDZVBRSSH-YJBOKZPZSA-N 2 2 339.487 3.352 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000265193912 536356865 /nfs/dbraw/zinc/35/68/65/536356865.db2.gz HTXJZAUVHQJIKZ-UHFFFAOYSA-N 2 2 347.890 3.167 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000265193912 536356867 /nfs/dbraw/zinc/35/68/67/536356867.db2.gz HTXJZAUVHQJIKZ-UHFFFAOYSA-N 2 2 347.890 3.167 20 0 EGADLP COc1cc(C)c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000344547625 536575856 /nfs/dbraw/zinc/57/58/56/536575856.db2.gz VZLCQAGXXIHHAF-OAHLLOKOSA-N 2 2 329.444 3.184 20 0 EGADLP COC1(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCCCC1 ZINC000361573297 536620637 /nfs/dbraw/zinc/62/06/37/536620637.db2.gz YZNFCURHIRLCKV-UHFFFAOYSA-N 2 2 345.531 3.370 20 0 EGADLP COC1(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCCCC1 ZINC000361573297 536620643 /nfs/dbraw/zinc/62/06/43/536620643.db2.gz YZNFCURHIRLCKV-UHFFFAOYSA-N 2 2 345.531 3.370 20 0 EGADLP c1cc(-c2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cs2)co1 ZINC000125262520 546750908 /nfs/dbraw/zinc/75/09/08/546750908.db2.gz QTGOIHGWVZIPNM-UHFFFAOYSA-N 2 2 326.425 3.120 20 0 EGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000157948732 546924955 /nfs/dbraw/zinc/92/49/55/546924955.db2.gz LIMSTFHIWPVYLD-LJQANCHMSA-N 2 2 330.497 3.240 20 0 EGADLP Brc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c2ncccc12 ZINC000166435884 546989288 /nfs/dbraw/zinc/98/92/88/546989288.db2.gz MFDTZMCKCUNHEU-ZDUSSCGKSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c2ncccc12 ZINC000166435884 546989291 /nfs/dbraw/zinc/98/92/91/546989291.db2.gz MFDTZMCKCUNHEU-ZDUSSCGKSA-N 2 2 346.272 3.324 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccccc1Cl ZINC000339072628 547568040 /nfs/dbraw/zinc/56/80/40/547568040.db2.gz XIYDARVDSHVCSV-YQQAZPJKSA-N 2 2 347.890 3.052 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccccc1Cl ZINC000339072628 547568047 /nfs/dbraw/zinc/56/80/47/547568047.db2.gz XIYDARVDSHVCSV-YQQAZPJKSA-N 2 2 347.890 3.052 20 0 EGADLP CC(C)CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccoc1 ZINC000353524198 547694714 /nfs/dbraw/zinc/69/47/14/547694714.db2.gz ZVUZSPYUOHUQCQ-LJQANCHMSA-N 2 2 349.519 3.289 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414931259 547861843 /nfs/dbraw/zinc/86/18/43/547861843.db2.gz UJGXENXUSXAOMU-GJZGRUSLSA-N 2 2 331.485 3.390 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000482871379 547966113 /nfs/dbraw/zinc/96/61/13/547966113.db2.gz HPJGEDFIXXRJHI-SFTDATJTSA-N 2 2 329.532 3.013 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000482871379 547966117 /nfs/dbraw/zinc/96/61/17/547966117.db2.gz HPJGEDFIXXRJHI-SFTDATJTSA-N 2 2 329.532 3.013 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C(C)(C)C ZINC000670266478 548194374 /nfs/dbraw/zinc/19/43/74/548194374.db2.gz GPDVPLCJASKLOC-KRWDZBQOSA-N 2 2 334.504 3.169 20 0 EGADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985738 548243137 /nfs/dbraw/zinc/24/31/37/548243137.db2.gz IGIJMQJQUAMBHV-FQEVSTJZSA-N 2 2 346.515 3.259 20 0 EGADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985738 548243143 /nfs/dbraw/zinc/24/31/43/548243143.db2.gz IGIJMQJQUAMBHV-FQEVSTJZSA-N 2 2 346.515 3.259 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](CO)c3ccc(Cl)cc3)n2c1 ZINC000673618098 548583296 /nfs/dbraw/zinc/58/32/96/548583296.db2.gz UCBKRIORUBVRDZ-OAHLLOKOSA-N 2 2 329.831 3.162 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000675255617 548881918 /nfs/dbraw/zinc/88/19/18/548881918.db2.gz AQPYRGOILSKWPO-NVXWUHKLSA-N 2 2 344.459 3.041 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477749 549094039 /nfs/dbraw/zinc/09/40/39/549094039.db2.gz NJJWKLXXTXRWTD-RBUKOAKNSA-N 2 2 340.471 3.178 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477749 549094042 /nfs/dbraw/zinc/09/40/42/549094042.db2.gz NJJWKLXXTXRWTD-RBUKOAKNSA-N 2 2 340.471 3.178 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477748 549094480 /nfs/dbraw/zinc/09/44/80/549094480.db2.gz NJJWKLXXTXRWTD-OALUTQOASA-N 2 2 340.471 3.178 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477748 549094482 /nfs/dbraw/zinc/09/44/82/549094482.db2.gz NJJWKLXXTXRWTD-OALUTQOASA-N 2 2 340.471 3.178 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000677438205 549270999 /nfs/dbraw/zinc/27/09/99/549270999.db2.gz OFMYGOBBJOKYGG-UHFFFAOYSA-N 2 2 339.483 3.415 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000677438205 549271003 /nfs/dbraw/zinc/27/10/03/549271003.db2.gz OFMYGOBBJOKYGG-UHFFFAOYSA-N 2 2 339.483 3.415 20 0 EGADLP c1nc(N2CCC(C[NH+]3CCCCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000677501917 549281561 /nfs/dbraw/zinc/28/15/61/549281561.db2.gz NKQHOHBIEWXESW-UHFFFAOYSA-N 2 2 343.519 3.391 20 0 EGADLP c1nc(NCC2CC2)cc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000677501917 549281564 /nfs/dbraw/zinc/28/15/64/549281564.db2.gz NKQHOHBIEWXESW-UHFFFAOYSA-N 2 2 343.519 3.391 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)c1OC ZINC000678235284 549436054 /nfs/dbraw/zinc/43/60/54/549436054.db2.gz QDYMCYKVMMIZPL-AWEZNQCLSA-N 2 2 335.835 3.391 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(Cl)c1OC ZINC000678235284 549436057 /nfs/dbraw/zinc/43/60/57/549436057.db2.gz QDYMCYKVMMIZPL-AWEZNQCLSA-N 2 2 335.835 3.391 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000678286133 549460002 /nfs/dbraw/zinc/46/00/02/549460002.db2.gz CNPYEEHGDHUTNT-UHFFFAOYSA-N 2 2 346.421 3.464 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000678286133 549460004 /nfs/dbraw/zinc/46/00/04/549460004.db2.gz CNPYEEHGDHUTNT-UHFFFAOYSA-N 2 2 346.421 3.464 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3ccsc3)c2cc1C ZINC000678586269 549524124 /nfs/dbraw/zinc/52/41/24/549524124.db2.gz DBYGCXYLZPDGST-HOCLYGCPSA-N 2 2 329.469 3.426 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000678588494 549525721 /nfs/dbraw/zinc/52/57/21/549525721.db2.gz ZLYLXGJDBYWLBW-SJORKVTESA-N 2 2 338.455 3.068 20 0 EGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)c(C)[nH+]1 ZINC000679148166 549644613 /nfs/dbraw/zinc/64/46/13/549644613.db2.gz FTZMENMESKPAEP-OAHLLOKOSA-N 2 2 326.444 3.412 20 0 EGADLP C[C@H](CCCCO)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000679339947 549691384 /nfs/dbraw/zinc/69/13/84/549691384.db2.gz GSANSOCWYJETCX-QZTJIDSGSA-N 2 2 334.504 3.027 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000679364621 549696885 /nfs/dbraw/zinc/69/68/85/549696885.db2.gz HYCNMIDUZLDITI-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000679364621 549696890 /nfs/dbraw/zinc/69/68/90/549696890.db2.gz HYCNMIDUZLDITI-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000679364621 549696892 /nfs/dbraw/zinc/69/68/92/549696892.db2.gz HYCNMIDUZLDITI-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000679364621 549696894 /nfs/dbraw/zinc/69/68/94/549696894.db2.gz HYCNMIDUZLDITI-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)CCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000680190887 549830341 /nfs/dbraw/zinc/83/03/41/549830341.db2.gz WBNNWQNOXMEOCW-KRWDZBQOSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@@H](c1cccc(N[C@H](c2[nH+]ccn2C)C2CC2)c1)[NH+]1CCOCC1 ZINC000681563215 550014586 /nfs/dbraw/zinc/01/45/86/550014586.db2.gz RDDATAPUIQBCTH-KXBFYZLASA-N 2 2 340.471 3.377 20 0 EGADLP C([NH2+]C1CCC2(CCCO2)CC1)C1([NH+]2CCSCC2)CCCC1 ZINC000682641062 550125146 /nfs/dbraw/zinc/12/51/46/550125146.db2.gz ZOZUCWAZLRJQHR-UHFFFAOYSA-N 2 2 338.561 3.429 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000682907958 550161975 /nfs/dbraw/zinc/16/19/75/550161975.db2.gz ZPLCSGAMMZKZOV-CXAGYDPISA-N 2 2 337.305 3.454 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000682907958 550161971 /nfs/dbraw/zinc/16/19/71/550161971.db2.gz ZPLCSGAMMZKZOV-CXAGYDPISA-N 2 2 337.305 3.454 20 0 EGADLP Brc1cccc2c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cccc12 ZINC000683218356 550205134 /nfs/dbraw/zinc/20/51/34/550205134.db2.gz VSNLTFUFRXPIPQ-KBPBESRZSA-N 2 2 331.257 3.254 20 0 EGADLP CCc1ccccc1NC(=O)C[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000684356624 550318606 /nfs/dbraw/zinc/31/86/06/550318606.db2.gz KHPHUJQKQVABDG-UHFFFAOYSA-N 2 2 325.456 3.456 20 0 EGADLP CCc1ccccc1NC(=O)C[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000684356624 550318609 /nfs/dbraw/zinc/31/86/09/550318609.db2.gz KHPHUJQKQVABDG-UHFFFAOYSA-N 2 2 325.456 3.456 20 0 EGADLP Oc1cccc2c(N3CCC[N@H+](Cc4cscn4)CC3)cc[nH+]c12 ZINC000684572197 550344683 /nfs/dbraw/zinc/34/46/83/550344683.db2.gz PGUQJCADGKZRSU-UHFFFAOYSA-N 2 2 340.452 3.109 20 0 EGADLP Oc1cccc2c(N3CCC[N@@H+](Cc4cscn4)CC3)cc[nH+]c12 ZINC000684572197 550344685 /nfs/dbraw/zinc/34/46/85/550344685.db2.gz PGUQJCADGKZRSU-UHFFFAOYSA-N 2 2 340.452 3.109 20 0 EGADLP c1cnc2c(c1)CCC[C@@H]2[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000684956880 550388339 /nfs/dbraw/zinc/38/83/39/550388339.db2.gz CLZQIIFZGRWOCY-IBGZPJMESA-N 2 2 343.515 3.331 20 0 EGADLP CC[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456452 550418496 /nfs/dbraw/zinc/41/84/96/550418496.db2.gz SJGBNQVTQHMBBN-UHFFFAOYSA-N 2 2 349.482 3.351 20 0 EGADLP CC[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456452 550418498 /nfs/dbraw/zinc/41/84/98/550418498.db2.gz SJGBNQVTQHMBBN-UHFFFAOYSA-N 2 2 349.482 3.351 20 0 EGADLP CN(Cc1cnc(C2CCC2)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685458034 550418734 /nfs/dbraw/zinc/41/87/34/550418734.db2.gz YJUZMWDIPGUCPR-QGZVFWFLSA-N 2 2 348.560 3.011 20 0 EGADLP CN(Cc1cnc(C2CCC2)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685458034 550418735 /nfs/dbraw/zinc/41/87/35/550418735.db2.gz YJUZMWDIPGUCPR-QGZVFWFLSA-N 2 2 348.560 3.011 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000685876764 550450939 /nfs/dbraw/zinc/45/09/39/550450939.db2.gz ROZCFFPCVBSACF-GOSISDBHSA-N 2 2 340.471 3.332 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)CCCC[NH+]2CCCC2)c1 ZINC000729325058 574838986 /nfs/dbraw/zinc/83/89/86/574838986.db2.gz MWJAQEFFKVWZMF-UHFFFAOYSA-N 2 2 326.444 3.292 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)CCCC[NH+]2CCCC2)n1 ZINC000729332944 574843498 /nfs/dbraw/zinc/84/34/98/574843498.db2.gz DWXUNBZSPWEKOY-UHFFFAOYSA-N 2 2 338.521 3.190 20 0 EGADLP c1coc([C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCCC2)c1 ZINC000730106581 574920173 /nfs/dbraw/zinc/92/01/73/574920173.db2.gz KXJXZEVEDSZHIU-MRXNPFEDSA-N 2 2 341.459 3.309 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000731039933 575045962 /nfs/dbraw/zinc/04/59/62/575045962.db2.gz FJKUMRGKVRYMRZ-IRLDBZIGSA-N 2 2 336.479 3.091 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000731039933 575045964 /nfs/dbraw/zinc/04/59/64/575045964.db2.gz FJKUMRGKVRYMRZ-IRLDBZIGSA-N 2 2 336.479 3.091 20 0 EGADLP CCCCn1c(=S)n(C[NH+]2CCCC2)nc1[C@H](CC)[NH+](C)C ZINC000732408259 575266218 /nfs/dbraw/zinc/26/62/18/575266218.db2.gz CDFDKAQOYXQVER-AWEZNQCLSA-N 2 2 325.526 3.280 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1nc(N2CCCC2)cc[nH+]1)c1ccco1 ZINC000733189069 575318730 /nfs/dbraw/zinc/31/87/30/575318730.db2.gz YUYOTUFYBWPGSN-HNNXBMFYSA-N 2 2 329.448 3.165 20 0 EGADLP Fc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738159018 576294659 /nfs/dbraw/zinc/29/46/59/576294659.db2.gz QALQWIUKSGBWFO-QGZVFWFLSA-N 2 2 325.391 3.180 20 0 EGADLP Fc1ccc(-c2ccn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000738159018 576294660 /nfs/dbraw/zinc/29/46/60/576294660.db2.gz QALQWIUKSGBWFO-QGZVFWFLSA-N 2 2 325.391 3.180 20 0 EGADLP COc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc(OC)c1 ZINC000030901929 1291358084 /nfs/dbraw/zinc/35/80/84/1291358084.db2.gz NKUHOGMOXFVTER-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000069679013 1292247732 /nfs/dbraw/zinc/24/77/32/1292247732.db2.gz BRATYPRXIMBEMW-UHFFFAOYSA-N 2 2 340.515 3.435 20 0 EGADLP COc1ccc2c(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000072725011 1292289089 /nfs/dbraw/zinc/28/90/89/1292289089.db2.gz RCPKFJBIUKCAIZ-INIZCTEOSA-N 2 2 344.455 3.108 20 0 EGADLP COc1ccc2c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000072725011 1292289096 /nfs/dbraw/zinc/28/90/96/1292289096.db2.gz RCPKFJBIUKCAIZ-INIZCTEOSA-N 2 2 344.455 3.108 20 0 EGADLP COc1ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cc(=O)oc2c1 ZINC000072725011 1292289105 /nfs/dbraw/zinc/28/91/05/1292289105.db2.gz RCPKFJBIUKCAIZ-INIZCTEOSA-N 2 2 344.455 3.108 20 0 EGADLP COc1ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cc(=O)oc2c1 ZINC000072725011 1292289107 /nfs/dbraw/zinc/28/91/07/1292289107.db2.gz RCPKFJBIUKCAIZ-INIZCTEOSA-N 2 2 344.455 3.108 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000072823389 1292293129 /nfs/dbraw/zinc/29/31/29/1292293129.db2.gz FXJLTNYTULZNBZ-INIZCTEOSA-N 2 2 328.456 3.265 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000072823389 1292293135 /nfs/dbraw/zinc/29/31/35/1292293135.db2.gz FXJLTNYTULZNBZ-INIZCTEOSA-N 2 2 328.456 3.265 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc(N(C)C)s2)CC1 ZINC000077329285 1292459495 /nfs/dbraw/zinc/45/94/95/1292459495.db2.gz PEOAGSANLCJFOB-UHFFFAOYSA-N 2 2 344.528 3.272 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c(C)n2n1 ZINC000093401748 1292920539 /nfs/dbraw/zinc/92/05/39/1292920539.db2.gz NSEKTJVNMUNVGQ-HNNXBMFYSA-N 2 2 346.438 3.383 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C12CCC2 ZINC000834606427 1293122157 /nfs/dbraw/zinc/12/21/57/1293122157.db2.gz HXVUFBYRIMEWPT-KZNAEPCWSA-N 2 2 325.456 3.251 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cnc2Cl)[C@H](C)C1 ZINC000834841551 1293156842 /nfs/dbraw/zinc/15/68/42/1293156842.db2.gz WVDSMRHSMPWJJF-CJNGLKHVSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cnc2Cl)[C@H](C)C1 ZINC000834841551 1293156847 /nfs/dbraw/zinc/15/68/47/1293156847.db2.gz WVDSMRHSMPWJJF-CJNGLKHVSA-N 2 2 343.874 3.101 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3nccs3)CC2)cc1 ZINC000127936245 1293577471 /nfs/dbraw/zinc/57/74/71/1293577471.db2.gz IHQNDBWZRUNIDJ-UHFFFAOYSA-N 2 2 330.501 3.010 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000136173902 1293811942 /nfs/dbraw/zinc/81/19/42/1293811942.db2.gz NKUXYJAZKDCFLZ-CYBMUJFWSA-N 2 2 326.843 3.070 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C2CCSCC2)CCOCC1)c1ccccc1 ZINC000152378818 1293966505 /nfs/dbraw/zinc/96/65/05/1293966505.db2.gz UFLWZOFEWHMVDD-INIZCTEOSA-N 2 2 334.529 3.372 20 0 EGADLP COc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000154382741 1294052888 /nfs/dbraw/zinc/05/28/88/1294052888.db2.gz XZQSJISPPHFQQC-GOSISDBHSA-N 2 2 348.450 3.249 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000157949783 1294192174 /nfs/dbraw/zinc/19/21/74/1294192174.db2.gz SBBMGKFZNLLARA-FZKQIMNGSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000157949783 1294192180 /nfs/dbraw/zinc/19/21/80/1294192180.db2.gz SBBMGKFZNLLARA-FZKQIMNGSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2cc1F ZINC000157949783 1294192185 /nfs/dbraw/zinc/19/21/85/1294192185.db2.gz SBBMGKFZNLLARA-FZKQIMNGSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2cc1F ZINC000157949783 1294192188 /nfs/dbraw/zinc/19/21/88/1294192188.db2.gz SBBMGKFZNLLARA-FZKQIMNGSA-N 2 2 346.425 3.221 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962078 1294533614 /nfs/dbraw/zinc/53/36/14/1294533614.db2.gz IASWOSXRMAXHBF-AZUAARDMSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962078 1294533619 /nfs/dbraw/zinc/53/36/19/1294533619.db2.gz IASWOSXRMAXHBF-AZUAARDMSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962078 1294533627 /nfs/dbraw/zinc/53/36/27/1294533627.db2.gz IASWOSXRMAXHBF-AZUAARDMSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000174962078 1294533633 /nfs/dbraw/zinc/53/36/33/1294533633.db2.gz IASWOSXRMAXHBF-AZUAARDMSA-N 2 2 343.515 3.154 20 0 EGADLP CC(C)C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000182694291 1295067681 /nfs/dbraw/zinc/06/76/81/1295067681.db2.gz GSWOENKCMYNMEK-IRXDYDNUSA-N 2 2 341.540 3.342 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(Br)c3)C[C@H]21 ZINC000228475209 1296153655 /nfs/dbraw/zinc/15/36/55/1296153655.db2.gz KLPYSQSHAQOUMX-YWPYICTPSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(Br)c3)C[C@H]21 ZINC000228475209 1296153660 /nfs/dbraw/zinc/15/36/60/1296153660.db2.gz KLPYSQSHAQOUMX-YWPYICTPSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237686858 1296258109 /nfs/dbraw/zinc/25/81/09/1296258109.db2.gz GGUUUDWEUBFIBW-PKOBYXMFSA-N 2 2 332.488 3.066 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421596 1296306944 /nfs/dbraw/zinc/30/69/44/1296306944.db2.gz IASWOSXRMAXHBF-ICSRJNTNSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421596 1296306961 /nfs/dbraw/zinc/30/69/61/1296306961.db2.gz IASWOSXRMAXHBF-ICSRJNTNSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421596 1296306977 /nfs/dbraw/zinc/30/69/77/1296306977.db2.gz IASWOSXRMAXHBF-ICSRJNTNSA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421596 1296306989 /nfs/dbraw/zinc/30/69/89/1296306989.db2.gz IASWOSXRMAXHBF-ICSRJNTNSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](O)c1ccccc1 ZINC000872133084 1296756034 /nfs/dbraw/zinc/75/60/34/1296756034.db2.gz NKSMUAYJBWYFAG-AZUAARDMSA-N 2 2 325.456 3.152 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000301515326 1296790096 /nfs/dbraw/zinc/79/00/96/1296790096.db2.gz OMWKQYJOHNEDHM-GVDBMIGSSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000301515326 1296790090 /nfs/dbraw/zinc/79/00/90/1296790090.db2.gz OMWKQYJOHNEDHM-GVDBMIGSSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)c1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000305131302 1296983393 /nfs/dbraw/zinc/98/33/93/1296983393.db2.gz JXMOOJNBBZHQCR-DLBZAZTESA-N 2 2 337.533 3.124 20 0 EGADLP CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200907 1297345540 /nfs/dbraw/zinc/34/55/40/1297345540.db2.gz NIBSGSDRNUKUPH-UHFFFAOYSA-N 2 2 343.496 3.027 20 0 EGADLP CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200907 1297345555 /nfs/dbraw/zinc/34/55/55/1297345555.db2.gz NIBSGSDRNUKUPH-UHFFFAOYSA-N 2 2 343.496 3.027 20 0 EGADLP Cc1cccn2cc(Cc3noc(-c4ccc5c[nH+]cn5c4C)n3)[nH+]c12 ZINC000350034377 1297387963 /nfs/dbraw/zinc/38/79/63/1297387963.db2.gz SIEFEKHAZOUTFH-UHFFFAOYSA-N 2 2 344.378 3.240 20 0 EGADLP Cc1cn2cc(NC(=O)N[C@H]3CCCCC34CC[NH2+]CC4)ccc2[nH+]1 ZINC000873307921 1297423482 /nfs/dbraw/zinc/42/34/82/1297423482.db2.gz SKRPJXWJSOKFFH-INIZCTEOSA-N 2 2 341.459 3.077 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373114609 1297514909 /nfs/dbraw/zinc/51/49/09/1297514909.db2.gz BMKVWVKDCAIAHF-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373114609 1297514913 /nfs/dbraw/zinc/51/49/13/1297514913.db2.gz BMKVWVKDCAIAHF-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)O[C@H](C)C2 ZINC000378891608 1297525312 /nfs/dbraw/zinc/52/53/12/1297525312.db2.gz RBPSCTPJUPKDPN-AUUYWEPGSA-N 2 2 343.471 3.420 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386561420 1297592315 /nfs/dbraw/zinc/59/23/15/1297592315.db2.gz JDRJCGHPBAVLBB-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000390701978 1297631719 /nfs/dbraw/zinc/63/17/19/1297631719.db2.gz MKSBHHGBZMWWBG-SJORKVTESA-N 2 2 339.524 3.145 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000444791231 1297861661 /nfs/dbraw/zinc/86/16/61/1297861661.db2.gz KJDPJHRVKZVEDM-MRXNPFEDSA-N 2 2 349.438 3.382 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000444791231 1297861671 /nfs/dbraw/zinc/86/16/71/1297861671.db2.gz KJDPJHRVKZVEDM-MRXNPFEDSA-N 2 2 349.438 3.382 20 0 EGADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000689095024 1298124940 /nfs/dbraw/zinc/12/49/40/1298124940.db2.gz XWGGARSDRYKHTJ-UHFFFAOYSA-N 2 2 344.480 3.289 20 0 EGADLP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCC[NH2+]2)CC3)cc1 ZINC000691920299 1298139257 /nfs/dbraw/zinc/13/92/57/1298139257.db2.gz YNVNMQIKABVFSQ-FQEVSTJZSA-N 3 2 327.516 3.117 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692174926 1298140993 /nfs/dbraw/zinc/14/09/93/1298140993.db2.gz OBDKXCLZOUCRIH-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498805 1298265005 /nfs/dbraw/zinc/26/50/05/1298265005.db2.gz PHDCKRVTAPXOCK-WMLDXEAASA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498805 1298265016 /nfs/dbraw/zinc/26/50/16/1298265016.db2.gz PHDCKRVTAPXOCK-WMLDXEAASA-N 2 2 332.879 3.074 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000712452245 1298265514 /nfs/dbraw/zinc/26/55/14/1298265514.db2.gz ODVLBPSZQUULEY-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000712452245 1298265522 /nfs/dbraw/zinc/26/55/22/1298265522.db2.gz ODVLBPSZQUULEY-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498803 1298266102 /nfs/dbraw/zinc/26/61/02/1298266102.db2.gz PHDCKRVTAPXOCK-PBHICJAKSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498803 1298266108 /nfs/dbraw/zinc/26/61/08/1298266108.db2.gz PHDCKRVTAPXOCK-PBHICJAKSA-N 2 2 332.879 3.074 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000712455034 1298266273 /nfs/dbraw/zinc/26/62/73/1298266273.db2.gz JRUGOEDGHHVFAY-KRWDZBQOSA-N 2 2 346.906 3.465 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000712455034 1298266285 /nfs/dbraw/zinc/26/62/85/1298266285.db2.gz JRUGOEDGHHVFAY-KRWDZBQOSA-N 2 2 346.906 3.465 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000724026606 1298342920 /nfs/dbraw/zinc/34/29/20/1298342920.db2.gz GREWXBNKCXRQHC-IRXDYDNUSA-N 2 2 339.524 3.145 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651012 1298631581 /nfs/dbraw/zinc/63/15/81/1298631581.db2.gz GZFVLFLGGVGFPK-XJKSGUPXSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651012 1298631594 /nfs/dbraw/zinc/63/15/94/1298631594.db2.gz GZFVLFLGGVGFPK-XJKSGUPXSA-N 2 2 330.394 3.155 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000876948300 1299083294 /nfs/dbraw/zinc/08/32/94/1299083294.db2.gz KPPZHKXNADDCMA-UHFFFAOYSA-N 2 2 334.504 3.190 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738179 1299514748 /nfs/dbraw/zinc/51/47/48/1299514748.db2.gz AKDAJUHVONQGFP-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738179 1299514759 /nfs/dbraw/zinc/51/47/59/1299514759.db2.gz AKDAJUHVONQGFP-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738179 1299514768 /nfs/dbraw/zinc/51/47/68/1299514768.db2.gz AKDAJUHVONQGFP-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738179 1299514777 /nfs/dbraw/zinc/51/47/77/1299514777.db2.gz AKDAJUHVONQGFP-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000751999395 1299676694 /nfs/dbraw/zinc/67/66/94/1299676694.db2.gz MTOPSDADULIPAX-INIZCTEOSA-N 2 2 343.309 3.146 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000751999395 1299676708 /nfs/dbraw/zinc/67/67/08/1299676708.db2.gz MTOPSDADULIPAX-INIZCTEOSA-N 2 2 343.309 3.146 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000878773499 1300184503 /nfs/dbraw/zinc/18/45/03/1300184503.db2.gz DUOCODUYCGNARU-MRXNPFEDSA-N 2 2 349.438 3.245 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2csc3ccccc32)CC1 ZINC000754743385 1300207362 /nfs/dbraw/zinc/20/73/62/1300207362.db2.gz PQVCXSJFVSSAEV-LSDHHAIUSA-N 2 2 345.512 3.105 20 0 EGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000879249772 1300452890 /nfs/dbraw/zinc/45/28/90/1300452890.db2.gz ARQRSJRKFPSLGS-UHFFFAOYSA-N 2 2 333.423 3.470 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569475 1301166427 /nfs/dbraw/zinc/16/64/27/1301166427.db2.gz LWZCSXINHSJPRA-DUXKGJEZSA-N 2 2 335.451 3.379 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([S@@](C)=O)cc1 ZINC000765254177 1302229865 /nfs/dbraw/zinc/22/98/65/1302229865.db2.gz XKHVOMCQBRBRPD-XBCBRRGRSA-N 2 2 333.501 3.386 20 0 EGADLP CC(C)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccn1 ZINC000765972527 1302358858 /nfs/dbraw/zinc/35/88/58/1302358858.db2.gz AGGBOXFXGLQMTM-AZUAARDMSA-N 2 2 331.504 3.402 20 0 EGADLP Cc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765973836 1302360183 /nfs/dbraw/zinc/36/01/83/1302360183.db2.gz FZLFIVQKVVRBDI-MJGOQNOKSA-N 2 2 330.472 3.052 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769686995 1303158677 /nfs/dbraw/zinc/15/86/77/1303158677.db2.gz ZVCQBRTWZBWKLR-BZUAXINKSA-N 2 2 327.513 3.142 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000769875832 1303186405 /nfs/dbraw/zinc/18/64/05/1303186405.db2.gz XNFXGKUNIYYORE-QKLQHJQFSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000769875832 1303186410 /nfs/dbraw/zinc/18/64/10/1303186410.db2.gz XNFXGKUNIYYORE-QKLQHJQFSA-N 2 2 344.499 3.477 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)[nH+]c1C ZINC000886672133 1303551882 /nfs/dbraw/zinc/55/18/82/1303551882.db2.gz JFGYQLVIQRJGKB-HBUWYVDXSA-N 2 2 346.519 3.147 20 0 EGADLP CO[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000775420576 1303961533 /nfs/dbraw/zinc/96/15/33/1303961533.db2.gz YCINIORYYLYYGA-UZLBHIALSA-N 2 2 331.504 3.126 20 0 EGADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(F)c1 ZINC000783031810 1305038371 /nfs/dbraw/zinc/03/83/71/1305038371.db2.gz STSDUMMBEBOQAA-LJQANCHMSA-N 2 2 331.435 3.248 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000783672706 1305126469 /nfs/dbraw/zinc/12/64/69/1305126469.db2.gz HOXZMKDIYFNTPH-IBGZPJMESA-N 2 2 340.471 3.221 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000783672706 1305126476 /nfs/dbraw/zinc/12/64/76/1305126476.db2.gz HOXZMKDIYFNTPH-IBGZPJMESA-N 2 2 340.471 3.221 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000783974712 1305169806 /nfs/dbraw/zinc/16/98/06/1305169806.db2.gz RRWNYEZIPNWKPO-LPHOPBHVSA-N 2 2 340.471 3.071 20 0 EGADLP Cn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C2CC2)n1 ZINC000892525292 1305423496 /nfs/dbraw/zinc/42/34/96/1305423496.db2.gz XCKAGLIHKIEKDB-UHFFFAOYSA-N 2 2 338.499 3.094 20 0 EGADLP Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)nc(C2CCC2)[nH+]1 ZINC000892782982 1305551613 /nfs/dbraw/zinc/55/16/13/1305551613.db2.gz XWPVIUJCPUGBKZ-UHFFFAOYSA-N 2 2 332.492 3.354 20 0 EGADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786880261 1305646481 /nfs/dbraw/zinc/64/64/81/1305646481.db2.gz LFODAFSLPSNCES-LJQANCHMSA-N 2 2 339.439 3.323 20 0 EGADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786880261 1305646490 /nfs/dbraw/zinc/64/64/90/1305646490.db2.gz LFODAFSLPSNCES-LJQANCHMSA-N 2 2 339.439 3.323 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788242283 1305904550 /nfs/dbraw/zinc/90/45/50/1305904550.db2.gz DMBMKXMQFYFPNJ-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788242283 1305904555 /nfs/dbraw/zinc/90/45/55/1305904555.db2.gz DMBMKXMQFYFPNJ-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250577 1305907920 /nfs/dbraw/zinc/90/79/20/1305907920.db2.gz SJIZSTYBYUYPEA-DLBZAZTESA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250577 1305907929 /nfs/dbraw/zinc/90/79/29/1305907929.db2.gz SJIZSTYBYUYPEA-DLBZAZTESA-N 2 2 339.524 3.286 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788592785 1305977283 /nfs/dbraw/zinc/97/72/83/1305977283.db2.gz MRBWSROXCGWUBU-DLBZAZTESA-N 2 2 341.540 3.344 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788592785 1305977295 /nfs/dbraw/zinc/97/72/95/1305977295.db2.gz MRBWSROXCGWUBU-DLBZAZTESA-N 2 2 341.540 3.344 20 0 EGADLP C[C@H](C[NH2+][C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)[NH+](C)C ZINC000788593229 1305977394 /nfs/dbraw/zinc/97/73/94/1305977394.db2.gz GYQUTTRECZETGV-DJIMGWMZSA-N 2 2 339.524 3.094 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC000893967451 1306153752 /nfs/dbraw/zinc/15/37/52/1306153752.db2.gz MBKWOAWJRNTDIW-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)CC1 ZINC000893967451 1306153755 /nfs/dbraw/zinc/15/37/55/1306153755.db2.gz MBKWOAWJRNTDIW-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894058177 1306195113 /nfs/dbraw/zinc/19/51/13/1306195113.db2.gz RPOAKVZHXPHKPS-OAHLLOKOSA-N 2 2 326.431 3.494 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894058177 1306195115 /nfs/dbraw/zinc/19/51/15/1306195115.db2.gz RPOAKVZHXPHKPS-OAHLLOKOSA-N 2 2 326.431 3.494 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ocnc2C)CC1 ZINC000894242330 1306298110 /nfs/dbraw/zinc/29/81/10/1306298110.db2.gz WKYREABWCVJFNB-CQSZACIVSA-N 2 2 346.450 3.115 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000790954025 1308895657 /nfs/dbraw/zinc/89/56/57/1308895657.db2.gz JAKUQEISKKQZMN-KRWDZBQOSA-N 2 2 329.492 3.327 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000791388289 1308976640 /nfs/dbraw/zinc/97/66/40/1308976640.db2.gz GEWRWFRXCXKNBL-KRWDZBQOSA-N 2 2 341.455 3.488 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)s1 ZINC000895718190 1309486985 /nfs/dbraw/zinc/48/69/85/1309486985.db2.gz VZZJPOQMGSNVEQ-MRXNPFEDSA-N 2 2 337.533 3.233 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)s1 ZINC000895718190 1309486990 /nfs/dbraw/zinc/48/69/90/1309486990.db2.gz VZZJPOQMGSNVEQ-MRXNPFEDSA-N 2 2 337.533 3.233 20 0 EGADLP Cc1cc(CNc2cnn(C3CC[NH+](C)CC3)c2)c2c([nH+]1)CCCC2 ZINC000895754526 1309505574 /nfs/dbraw/zinc/50/55/74/1309505574.db2.gz WJPDVULZQKGJPC-UHFFFAOYSA-N 2 2 339.487 3.344 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000796704009 1310067834 /nfs/dbraw/zinc/06/78/34/1310067834.db2.gz YWXLRTOFOFQPRH-IUODEOHRSA-N 2 2 335.473 3.497 20 0 EGADLP COc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000897480286 1310347257 /nfs/dbraw/zinc/34/72/57/1310347257.db2.gz VVZSFLULFQEYBZ-MRXNPFEDSA-N 2 2 338.879 3.082 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178420 1310500225 /nfs/dbraw/zinc/50/02/25/1310500225.db2.gz RNSOIWAVINKTKY-UHFFFAOYSA-N 3 2 338.499 3.489 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178420 1310500234 /nfs/dbraw/zinc/50/02/34/1310500234.db2.gz RNSOIWAVINKTKY-UHFFFAOYSA-N 3 2 338.499 3.489 20 0 EGADLP COC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCCCC1 ZINC000898261341 1310650555 /nfs/dbraw/zinc/65/05/55/1310650555.db2.gz QWSVDWQIWDXUBT-UHFFFAOYSA-N 2 2 331.504 3.375 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000898276630 1310658364 /nfs/dbraw/zinc/65/83/64/1310658364.db2.gz RKXBZKMGBMCLFD-UHFFFAOYSA-N 2 2 340.393 3.149 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]([NH+](C)C)CCc4ccccc43)ccn12 ZINC000857971705 1328644724 /nfs/dbraw/zinc/64/47/24/1328644724.db2.gz BUQXBMUOJHDWIU-GOSISDBHSA-N 2 2 348.450 3.166 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001019039937 1317018216 /nfs/dbraw/zinc/01/82/16/1317018216.db2.gz ADBUUXCZBHBIDU-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP C[N@H+](Cc1ccccc1CNC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000900322140 1317271676 /nfs/dbraw/zinc/27/16/76/1317271676.db2.gz GKFWKPMFTKKKRS-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP C[N@@H+](Cc1ccccc1CNC(=O)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000900322140 1317271682 /nfs/dbraw/zinc/27/16/82/1317271682.db2.gz GKFWKPMFTKKKRS-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000957652387 1317524972 /nfs/dbraw/zinc/52/49/72/1317524972.db2.gz GMMNDFINUTVADY-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1 ZINC000902443799 1317580062 /nfs/dbraw/zinc/58/00/62/1317580062.db2.gz MFHSZFFMXOIWQO-NYSBEXSLSA-N 2 2 337.467 3.235 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC001020414014 1317686090 /nfs/dbraw/zinc/68/60/90/1317686090.db2.gz QDXJHKFONYJNTL-IYARVYRRSA-N 2 2 341.430 3.197 20 0 EGADLP COc1ccc(OC)c(C[N@H+](C[C@H]([NH3+])CC(F)F)C(C)(C)C)c1 ZINC000903880498 1317740369 /nfs/dbraw/zinc/74/03/69/1317740369.db2.gz RHBZTVNHQDSXOH-CYBMUJFWSA-N 2 2 330.419 3.287 20 0 EGADLP COc1ccc(OC)c(C[N@@H+](C[C@H]([NH3+])CC(F)F)C(C)(C)C)c1 ZINC000903880498 1317740376 /nfs/dbraw/zinc/74/03/76/1317740376.db2.gz RHBZTVNHQDSXOH-CYBMUJFWSA-N 2 2 330.419 3.287 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000903892637 1317743781 /nfs/dbraw/zinc/74/37/81/1317743781.db2.gz VMAUPRIQBGVIIX-MRXNPFEDSA-N 2 2 337.389 3.248 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000903892637 1317743787 /nfs/dbraw/zinc/74/37/87/1317743787.db2.gz VMAUPRIQBGVIIX-MRXNPFEDSA-N 2 2 337.389 3.248 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000903897694 1317745674 /nfs/dbraw/zinc/74/56/74/1317745674.db2.gz INIVLNFBKQSKND-LSDHHAIUSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000903897694 1317745679 /nfs/dbraw/zinc/74/56/79/1317745679.db2.gz INIVLNFBKQSKND-LSDHHAIUSA-N 2 2 340.439 3.266 20 0 EGADLP COc1cccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000903960042 1317757870 /nfs/dbraw/zinc/75/78/70/1317757870.db2.gz VOEBOMPVLHJGLF-GOSISDBHSA-N 2 2 340.414 3.262 20 0 EGADLP COc1cccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000903960042 1317757877 /nfs/dbraw/zinc/75/78/77/1317757877.db2.gz VOEBOMPVLHJGLF-GOSISDBHSA-N 2 2 340.414 3.262 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320963 1317830505 /nfs/dbraw/zinc/83/05/05/1317830505.db2.gz SDWUPRZXHIQVFB-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320963 1317830512 /nfs/dbraw/zinc/83/05/12/1317830512.db2.gz SDWUPRZXHIQVFB-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320963 1317830521 /nfs/dbraw/zinc/83/05/21/1317830521.db2.gz SDWUPRZXHIQVFB-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320963 1317830530 /nfs/dbraw/zinc/83/05/30/1317830530.db2.gz SDWUPRZXHIQVFB-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(-c2ccnn2C)c1 ZINC000904459119 1317850032 /nfs/dbraw/zinc/85/00/32/1317850032.db2.gz OFNIXNPBWYNBCD-TZIWHRDSSA-N 2 2 332.451 3.110 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000811767333 1318258422 /nfs/dbraw/zinc/25/84/22/1318258422.db2.gz KUJIOXFKKDCLFU-UHFFFAOYSA-N 2 2 343.397 3.339 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000811767333 1318258426 /nfs/dbraw/zinc/25/84/26/1318258426.db2.gz KUJIOXFKKDCLFU-UHFFFAOYSA-N 2 2 343.397 3.339 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960061056 1318334953 /nfs/dbraw/zinc/33/49/53/1318334953.db2.gz HJMITNZADIGGOF-SFHVURJKSA-N 2 2 348.450 3.119 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584621 1319022541 /nfs/dbraw/zinc/02/25/41/1319022541.db2.gz JRHVDYSLVDLPRF-HOTGVXAUSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584621 1319022554 /nfs/dbraw/zinc/02/25/54/1319022554.db2.gz JRHVDYSLVDLPRF-HOTGVXAUSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915978 1319061777 /nfs/dbraw/zinc/06/17/77/1319061777.db2.gz ZKIPPLNFWBTDTC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915978 1319061785 /nfs/dbraw/zinc/06/17/85/1319061785.db2.gz ZKIPPLNFWBTDTC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915978 1319061793 /nfs/dbraw/zinc/06/17/93/1319061793.db2.gz ZKIPPLNFWBTDTC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915978 1319061803 /nfs/dbraw/zinc/06/18/03/1319061803.db2.gz ZKIPPLNFWBTDTC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCC(C)(C)CC1 ZINC000960942976 1319082426 /nfs/dbraw/zinc/08/24/26/1319082426.db2.gz CJLFGJJSQBBNMI-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCC(C)(C)CC1 ZINC000960942976 1319082434 /nfs/dbraw/zinc/08/24/34/1319082434.db2.gz CJLFGJJSQBBNMI-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CCC1(CC)CCN(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000817361235 1319337857 /nfs/dbraw/zinc/33/78/57/1319337857.db2.gz HLAVPPBCGHMVFT-UHFFFAOYSA-N 2 2 346.519 3.372 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3CCCCCCC3)CC2)CC1 ZINC000817658451 1319421706 /nfs/dbraw/zinc/42/17/06/1319421706.db2.gz CQDVRDVONIPZDV-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3CCCCCCC3)CC2)CC1 ZINC000817658451 1319421712 /nfs/dbraw/zinc/42/17/12/1319421712.db2.gz CQDVRDVONIPZDV-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817948594 1319473698 /nfs/dbraw/zinc/47/36/98/1319473698.db2.gz BWCIEUKAPQUFLZ-VQIMIIECSA-N 3 2 333.520 3.330 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960667 1319478370 /nfs/dbraw/zinc/47/83/70/1319478370.db2.gz OZRUYOYRGLEMAM-HNAYVOBHSA-N 3 2 331.504 3.069 20 0 EGADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000818959676 1319591024 /nfs/dbraw/zinc/59/10/24/1319591024.db2.gz QLUNYLQGKWZTDN-HRCADAONSA-N 2 2 329.271 3.243 20 0 EGADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000818959676 1319591032 /nfs/dbraw/zinc/59/10/32/1319591032.db2.gz QLUNYLQGKWZTDN-HRCADAONSA-N 2 2 329.271 3.243 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514446 1319619096 /nfs/dbraw/zinc/61/90/96/1319619096.db2.gz MJYJTWJTSGGWRL-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514446 1319619101 /nfs/dbraw/zinc/61/91/01/1319619101.db2.gz MJYJTWJTSGGWRL-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000822129188 1320056856 /nfs/dbraw/zinc/05/68/56/1320056856.db2.gz RZYZXMJMZZUFJY-RBSFLKMASA-N 2 2 339.524 3.141 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000822129188 1320056860 /nfs/dbraw/zinc/05/68/60/1320056860.db2.gz RZYZXMJMZZUFJY-RBSFLKMASA-N 2 2 339.524 3.141 20 0 EGADLP C[C@H](CC(=O)OC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845476252 1321711639 /nfs/dbraw/zinc/71/16/39/1321711639.db2.gz DIQJWGXVQADWGU-XLIONFOSSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@H](CC(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845476252 1321711642 /nfs/dbraw/zinc/71/16/42/1321711642.db2.gz DIQJWGXVQADWGU-XLIONFOSSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@H](CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581821 1321720257 /nfs/dbraw/zinc/72/02/57/1321720257.db2.gz LPEDVCIACBWZAF-LMMKCTJWSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@H](CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581821 1321720263 /nfs/dbraw/zinc/72/02/63/1321720263.db2.gz LPEDVCIACBWZAF-LMMKCTJWSA-N 2 2 341.455 3.288 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846224993 1321777281 /nfs/dbraw/zinc/77/72/81/1321777281.db2.gz HTBJXTYYAGZJTJ-SYNHAJSKSA-N 2 2 329.488 3.199 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846224993 1321777283 /nfs/dbraw/zinc/77/72/83/1321777283.db2.gz HTBJXTYYAGZJTJ-SYNHAJSKSA-N 2 2 329.488 3.199 20 0 EGADLP CCc1ccc2c(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc(=O)oc2c1 ZINC000848669147 1321992928 /nfs/dbraw/zinc/99/29/28/1321992928.db2.gz WSRZZWVDDMFOGR-OALUTQOASA-N 2 2 340.467 3.462 20 0 EGADLP CCc1ccc2c(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc(=O)oc2c1 ZINC000848669147 1321992941 /nfs/dbraw/zinc/99/29/41/1321992941.db2.gz WSRZZWVDDMFOGR-OALUTQOASA-N 2 2 340.467 3.462 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2O1 ZINC000848927730 1322047638 /nfs/dbraw/zinc/04/76/38/1322047638.db2.gz MBQKAWQRVRKHGC-ZWKOTPCHSA-N 2 2 330.472 3.438 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2O1 ZINC000848927730 1322047644 /nfs/dbraw/zinc/04/76/44/1322047644.db2.gz MBQKAWQRVRKHGC-ZWKOTPCHSA-N 2 2 330.472 3.438 20 0 EGADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)cc1 ZINC000849077497 1322069474 /nfs/dbraw/zinc/06/94/74/1322069474.db2.gz AUUOQDGKXBZVIJ-LJQANCHMSA-N 2 2 346.519 3.333 20 0 EGADLP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000850157313 1322201525 /nfs/dbraw/zinc/20/15/25/1322201525.db2.gz PQLUAXNHOPCDGU-MAUKXSAKSA-N 2 2 331.485 3.324 20 0 EGADLP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000850157313 1322201530 /nfs/dbraw/zinc/20/15/30/1322201530.db2.gz PQLUAXNHOPCDGU-MAUKXSAKSA-N 2 2 331.485 3.324 20 0 EGADLP CCCC[N@H+](CCS(=O)(=O)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033131 1329034179 /nfs/dbraw/zinc/03/41/79/1329034179.db2.gz FEJBIZUTKMYINY-UHFFFAOYSA-N 2 2 346.581 3.221 20 0 EGADLP CCCC[N@@H+](CCS(=O)(=O)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033131 1329034182 /nfs/dbraw/zinc/03/41/82/1329034182.db2.gz FEJBIZUTKMYINY-UHFFFAOYSA-N 2 2 346.581 3.221 20 0 EGADLP Cc1[nH+]ccn1CCCCOC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000923831783 1322821020 /nfs/dbraw/zinc/82/10/20/1322821020.db2.gz OPKWAFNAFLMKEZ-UHFFFAOYSA-N 2 2 345.443 3.408 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3CCC[N@H+]3C(C)C)n2)cn1 ZINC000923878959 1322833751 /nfs/dbraw/zinc/83/37/51/1322833751.db2.gz ZKEXIIWAGBLNAC-OAHLLOKOSA-N 2 2 338.415 3.171 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3CCC[N@@H+]3C(C)C)n2)cn1 ZINC000923878959 1322833753 /nfs/dbraw/zinc/83/37/53/1322833753.db2.gz ZKEXIIWAGBLNAC-OAHLLOKOSA-N 2 2 338.415 3.171 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667490 1323102602 /nfs/dbraw/zinc/10/26/02/1323102602.db2.gz KTEGAUOTJIHQBR-JTDSTZFVSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667490 1323102607 /nfs/dbraw/zinc/10/26/07/1323102607.db2.gz KTEGAUOTJIHQBR-JTDSTZFVSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnn(C)n1 ZINC000924674302 1323105655 /nfs/dbraw/zinc/10/56/55/1323105655.db2.gz ZXXHQXGZCAZAOT-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnn(C)n1 ZINC000924674302 1323105660 /nfs/dbraw/zinc/10/56/60/1323105660.db2.gz ZXXHQXGZCAZAOT-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP c1cc(C[NH2+][C@@H]2CCOC23CCCCC3)cc(C[NH+]2CCOCC2)c1 ZINC000924706996 1323123737 /nfs/dbraw/zinc/12/37/37/1323123737.db2.gz RFNYNYKIIQXLRK-HXUWFJFHSA-N 2 2 344.499 3.100 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000852108869 1323149391 /nfs/dbraw/zinc/14/93/91/1323149391.db2.gz OOMOWIRPWVMMAI-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000852108869 1323149397 /nfs/dbraw/zinc/14/93/97/1323149397.db2.gz OOMOWIRPWVMMAI-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000852108869 1323149399 /nfs/dbraw/zinc/14/93/99/1323149399.db2.gz OOMOWIRPWVMMAI-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000852108869 1323149405 /nfs/dbraw/zinc/14/94/05/1323149405.db2.gz OOMOWIRPWVMMAI-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000924772502 1323155056 /nfs/dbraw/zinc/15/50/56/1323155056.db2.gz BYIQLCYJJTYFKP-UXPWSPDFSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000924772502 1323155062 /nfs/dbraw/zinc/15/50/62/1323155062.db2.gz BYIQLCYJJTYFKP-UXPWSPDFSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1F ZINC000924805881 1323170697 /nfs/dbraw/zinc/17/06/97/1323170697.db2.gz LQQUYMNSBQQKIT-UIAACRFSSA-N 2 2 349.469 3.398 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1F ZINC000924805881 1323170704 /nfs/dbraw/zinc/17/07/04/1323170704.db2.gz LQQUYMNSBQQKIT-UIAACRFSSA-N 2 2 349.469 3.398 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510368 1323458530 /nfs/dbraw/zinc/45/85/30/1323458530.db2.gz KJZSYKAYARMIQJ-HOCLYGCPSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510368 1323458531 /nfs/dbraw/zinc/45/85/31/1323458531.db2.gz KJZSYKAYARMIQJ-HOCLYGCPSA-N 2 2 328.460 3.193 20 0 EGADLP CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025000448 1323818959 /nfs/dbraw/zinc/81/89/59/1323818959.db2.gz JPBYTVFCKJLSTC-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025001276 1323820503 /nfs/dbraw/zinc/82/05/03/1323820503.db2.gz PSSXBLDDYYRZKR-GOSISDBHSA-N 2 2 348.450 3.347 20 0 EGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440461 1329118283 /nfs/dbraw/zinc/11/82/83/1329118283.db2.gz HZPAGRIPHXLDOV-MELADBBJSA-N 2 2 334.414 3.376 20 0 EGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440461 1329118287 /nfs/dbraw/zinc/11/82/87/1329118287.db2.gz HZPAGRIPHXLDOV-MELADBBJSA-N 2 2 334.414 3.376 20 0 EGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440461 1329118288 /nfs/dbraw/zinc/11/82/88/1329118288.db2.gz HZPAGRIPHXLDOV-MELADBBJSA-N 2 2 334.414 3.376 20 0 EGADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440461 1329118289 /nfs/dbraw/zinc/11/82/89/1329118289.db2.gz HZPAGRIPHXLDOV-MELADBBJSA-N 2 2 334.414 3.376 20 0 EGADLP c1coc(C2CC[NH+](CCC[NH+]3CCC(c4ncco4)CC3)CC2)n1 ZINC000931446159 1329119689 /nfs/dbraw/zinc/11/96/89/1329119689.db2.gz GCPPAMLKGRGMGE-UHFFFAOYSA-N 2 2 344.459 3.112 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286793 1324107667 /nfs/dbraw/zinc/10/76/67/1324107667.db2.gz AVBRGKJUWMWKHE-DLBZAZTESA-N 2 2 346.519 3.333 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286793 1324107670 /nfs/dbraw/zinc/10/76/70/1324107670.db2.gz AVBRGKJUWMWKHE-DLBZAZTESA-N 2 2 346.519 3.333 20 0 EGADLP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493421 1324344276 /nfs/dbraw/zinc/34/42/76/1324344276.db2.gz NSBPIPLWAGYBHY-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493421 1324344284 /nfs/dbraw/zinc/34/42/84/1324344284.db2.gz NSBPIPLWAGYBHY-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706592 1329167970 /nfs/dbraw/zinc/16/79/70/1329167970.db2.gz GOPHNNARJQMVCU-QRVBRYPASA-N 2 2 341.455 3.193 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000931752762 1329178028 /nfs/dbraw/zinc/17/80/28/1329178028.db2.gz PEXSRXPAPQIYQW-GJZGRUSLSA-N 2 2 334.426 3.437 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001026568427 1324901787 /nfs/dbraw/zinc/90/17/87/1324901787.db2.gz GMWNOAXTKHHYLS-FAEJEUNOSA-N 2 2 340.471 3.039 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000925177734 1325072984 /nfs/dbraw/zinc/07/29/84/1325072984.db2.gz FEQPBPJATUNXNR-DNVCBOLYSA-N 2 2 336.439 3.458 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296962 1325081240 /nfs/dbraw/zinc/08/12/40/1325081240.db2.gz GYMIXIYYAPMJTK-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296962 1325081246 /nfs/dbraw/zinc/08/12/46/1325081246.db2.gz GYMIXIYYAPMJTK-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(O[C@H]2CCOC2)c1 ZINC000925267860 1325106663 /nfs/dbraw/zinc/10/66/63/1325106663.db2.gz JSXNVOKZRYXPAE-ZCNNSNEGSA-N 2 2 344.499 3.269 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(O[C@H]2CCOC2)c1 ZINC000925267860 1325106668 /nfs/dbraw/zinc/10/66/68/1325106668.db2.gz JSXNVOKZRYXPAE-ZCNNSNEGSA-N 2 2 344.499 3.269 20 0 EGADLP Brc1ccc2[nH]c(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)cc2c1 ZINC000925638638 1325242537 /nfs/dbraw/zinc/24/25/37/1325242537.db2.gz FOZWFGZOPWZDNN-UAAIKXFESA-N 2 2 346.272 3.016 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCCC2 ZINC000925765515 1325291080 /nfs/dbraw/zinc/29/10/80/1325291080.db2.gz DUZLVWUEQHIECG-LPHOPBHVSA-N 2 2 330.472 3.346 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790684 1325302752 /nfs/dbraw/zinc/30/27/52/1325302752.db2.gz HTFGXNHCVPHXTL-DNVCBOLYSA-N 2 2 344.499 3.166 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(OC(F)F)c1 ZINC000925795756 1325304510 /nfs/dbraw/zinc/30/45/10/1325304510.db2.gz PLSYBHKYWPGWEE-ZFWWWQNUSA-N 2 2 340.414 3.097 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(N2CCCC2)n1 ZINC000926449709 1325559110 /nfs/dbraw/zinc/55/91/10/1325559110.db2.gz QPBPYBDEBQCCSI-OALUTQOASA-N 2 2 328.504 3.097 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(N2CCCC2)n1 ZINC000926449709 1325559120 /nfs/dbraw/zinc/55/91/20/1325559120.db2.gz QPBPYBDEBQCCSI-OALUTQOASA-N 2 2 328.504 3.097 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926464275 1325563571 /nfs/dbraw/zinc/56/35/71/1325563571.db2.gz RQIWENOCELPKDU-POAQFYNOSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926464275 1325563576 /nfs/dbraw/zinc/56/35/76/1325563576.db2.gz RQIWENOCELPKDU-POAQFYNOSA-N 2 2 331.479 3.259 20 0 EGADLP COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926614432 1327635723 /nfs/dbraw/zinc/63/57/23/1327635723.db2.gz HVQXCXLKXGMTLG-QWHCGFSZSA-N 2 2 347.484 3.403 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490216 1327750253 /nfs/dbraw/zinc/75/02/53/1327750253.db2.gz MTFNCDRAFDXKAA-SFHVURJKSA-N 2 2 348.450 3.071 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490216 1327750262 /nfs/dbraw/zinc/75/02/62/1327750262.db2.gz MTFNCDRAFDXKAA-SFHVURJKSA-N 2 2 348.450 3.071 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027942288 1328416730 /nfs/dbraw/zinc/41/67/30/1328416730.db2.gz BAWIDQFRVSFZIC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027942288 1328416738 /nfs/dbraw/zinc/41/67/38/1328416738.db2.gz BAWIDQFRVSFZIC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942288 1328416741 /nfs/dbraw/zinc/41/67/41/1328416741.db2.gz BAWIDQFRVSFZIC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942288 1328416744 /nfs/dbraw/zinc/41/67/44/1328416744.db2.gz BAWIDQFRVSFZIC-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001027969571 1328441650 /nfs/dbraw/zinc/44/16/50/1328441650.db2.gz PPQQXEBTAMBLFX-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001027969571 1328441652 /nfs/dbraw/zinc/44/16/52/1328441652.db2.gz PPQQXEBTAMBLFX-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000865415683 1329694007 /nfs/dbraw/zinc/69/40/07/1329694007.db2.gz PNFNYZONBBAJSP-KRWDZBQOSA-N 2 2 341.503 3.210 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1 ZINC000865415683 1329694009 /nfs/dbraw/zinc/69/40/09/1329694009.db2.gz PNFNYZONBBAJSP-KRWDZBQOSA-N 2 2 341.503 3.210 20 0 EGADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC000932481115 1329817285 /nfs/dbraw/zinc/81/72/85/1329817285.db2.gz QCKVDUWEVMCPEG-UHFFFAOYSA-N 2 2 336.439 3.333 20 0 EGADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC000932481115 1329817287 /nfs/dbraw/zinc/81/72/87/1329817287.db2.gz QCKVDUWEVMCPEG-UHFFFAOYSA-N 2 2 336.439 3.333 20 0 EGADLP c1cc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)co1 ZINC000934002784 1329939498 /nfs/dbraw/zinc/93/94/98/1329939498.db2.gz BFRXMMJNZFOUIT-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP c1cc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)co1 ZINC000934002784 1329939500 /nfs/dbraw/zinc/93/95/00/1329939500.db2.gz BFRXMMJNZFOUIT-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000935989064 1330102221 /nfs/dbraw/zinc/10/22/21/1330102221.db2.gz JLZRIOVZBWIFCD-UHFFFAOYSA-N 2 2 340.471 3.434 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129705 1331345304 /nfs/dbraw/zinc/34/53/04/1331345304.db2.gz KFGBVODAZLINSG-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129705 1331345309 /nfs/dbraw/zinc/34/53/09/1331345309.db2.gz KFGBVODAZLINSG-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947862649 1333284094 /nfs/dbraw/zinc/28/40/94/1333284094.db2.gz UXNDYBVOUPTWQE-NVXWUHKLSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947862649 1333284096 /nfs/dbraw/zinc/28/40/96/1333284096.db2.gz UXNDYBVOUPTWQE-NVXWUHKLSA-N 2 2 346.519 3.138 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCC2CCCC2)C1 ZINC000950628395 1334098815 /nfs/dbraw/zinc/09/88/15/1334098815.db2.gz YERAYSIMAVYIRK-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](Cc2nc3ccccc3cc2Br)CC1 ZINC001205117912 1370655694 /nfs/dbraw/zinc/65/56/94/1370655694.db2.gz YUTUJUPKIHOIAM-ZDUSSCGKSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](Cc2nc3ccccc3cc2Br)CC1 ZINC001205117912 1370655699 /nfs/dbraw/zinc/65/56/99/1370655699.db2.gz YUTUJUPKIHOIAM-ZDUSSCGKSA-N 2 2 334.261 3.311 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CC2CCCC2)CC1 ZINC001005710860 1336396185 /nfs/dbraw/zinc/39/61/85/1336396185.db2.gz FMQCZYTUYABBBC-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CCc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939713 1337959843 /nfs/dbraw/zinc/95/98/43/1337959843.db2.gz DUOXWDPBFWESCW-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939713 1337959852 /nfs/dbraw/zinc/95/98/52/1337959852.db2.gz DUOXWDPBFWESCW-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015426865 1338137278 /nfs/dbraw/zinc/13/72/78/1338137278.db2.gz PRGWXYDGNISWRU-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015426865 1338137279 /nfs/dbraw/zinc/13/72/79/1338137279.db2.gz PRGWXYDGNISWRU-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP C[N@H+](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001017263336 1338989549 /nfs/dbraw/zinc/98/95/49/1338989549.db2.gz KQIUUADUCOIZAE-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001017263336 1338989551 /nfs/dbraw/zinc/98/95/51/1338989551.db2.gz KQIUUADUCOIZAE-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP C[N@H+](CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)CC1CCCCCC1 ZINC001030000191 1341152291 /nfs/dbraw/zinc/15/22/91/1341152291.db2.gz UJQKCYDSOWJQSO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)CC1CCCCCC1 ZINC001030000191 1341152293 /nfs/dbraw/zinc/15/22/93/1341152293.db2.gz UJQKCYDSOWJQSO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+]([C@@H](C)c4ccccc4)C3)ccn12 ZINC001031670368 1341386067 /nfs/dbraw/zinc/38/60/67/1341386067.db2.gz HLXYQNTZQBQMNM-INIZCTEOSA-N 2 2 348.450 3.066 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032474124 1341517952 /nfs/dbraw/zinc/51/79/52/1341517952.db2.gz OGTPCLBGTFBYHC-XDKFSHSGSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032474124 1341517953 /nfs/dbraw/zinc/51/79/53/1341517953.db2.gz OGTPCLBGTFBYHC-XDKFSHSGSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299212 1341770653 /nfs/dbraw/zinc/77/06/53/1341770653.db2.gz ARGFNJVZZGANRW-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299212 1341770656 /nfs/dbraw/zinc/77/06/56/1341770656.db2.gz ARGFNJVZZGANRW-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833508 1342034048 /nfs/dbraw/zinc/03/40/48/1342034048.db2.gz PAOKRMJCCZXUSK-MAUKXSAKSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833508 1342034051 /nfs/dbraw/zinc/03/40/51/1342034051.db2.gz PAOKRMJCCZXUSK-MAUKXSAKSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206495 1342317347 /nfs/dbraw/zinc/31/73/47/1342317347.db2.gz JSESLDXNRXDSHW-MAUKXSAKSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206495 1342317353 /nfs/dbraw/zinc/31/73/53/1342317353.db2.gz JSESLDXNRXDSHW-MAUKXSAKSA-N 2 2 342.487 3.273 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034547434 1342610682 /nfs/dbraw/zinc/61/06/82/1342610682.db2.gz QFWRDDYQGNYROS-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034547434 1342610684 /nfs/dbraw/zinc/61/06/84/1342610684.db2.gz QFWRDDYQGNYROS-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036206214 1343362730 /nfs/dbraw/zinc/36/27/30/1343362730.db2.gz PRKBLWWSZOCDQO-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037847542 1344135470 /nfs/dbraw/zinc/13/54/70/1344135470.db2.gz ADMSUAFNDXGDQK-PKOBYXMFSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037847542 1344135473 /nfs/dbraw/zinc/13/54/73/1344135473.db2.gz ADMSUAFNDXGDQK-PKOBYXMFSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+]3CCC3CCCC3)ccn12 ZINC001038252590 1344344415 /nfs/dbraw/zinc/34/44/15/1344344415.db2.gz JLOAONXRGXGAHH-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+]3CCC3CCCC3)ccn12 ZINC001038252590 1344344417 /nfs/dbraw/zinc/34/44/17/1344344417.db2.gz JLOAONXRGXGAHH-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001038414164 1344417636 /nfs/dbraw/zinc/41/76/36/1344417636.db2.gz AIIVSXUHCDREET-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001038414164 1344417639 /nfs/dbraw/zinc/41/76/39/1344417639.db2.gz AIIVSXUHCDREET-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214242 1344930182 /nfs/dbraw/zinc/93/01/82/1344930182.db2.gz RHVWTEYWJPFDFV-HNAYVOBHSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214242 1344930183 /nfs/dbraw/zinc/93/01/83/1344930183.db2.gz RHVWTEYWJPFDFV-HNAYVOBHSA-N 2 2 340.471 3.288 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388774 1345040150 /nfs/dbraw/zinc/04/01/50/1345040150.db2.gz JDIBYSSWKWRTLD-XMTFNYHQSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001039388774 1345040152 /nfs/dbraw/zinc/04/01/52/1345040152.db2.gz JDIBYSSWKWRTLD-XMTFNYHQSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388774 1345040154 /nfs/dbraw/zinc/04/01/54/1345040154.db2.gz JDIBYSSWKWRTLD-XMTFNYHQSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001039388774 1345040156 /nfs/dbraw/zinc/04/01/56/1345040156.db2.gz JDIBYSSWKWRTLD-XMTFNYHQSA-N 2 2 344.503 3.015 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001040509011 1345525972 /nfs/dbraw/zinc/52/59/72/1345525972.db2.gz DSRBHVISHBAVBS-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC001040509011 1345525975 /nfs/dbraw/zinc/52/59/75/1345525975.db2.gz DSRBHVISHBAVBS-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717141 1345829523 /nfs/dbraw/zinc/82/95/23/1345829523.db2.gz KZJAQUMGNQIRTA-FXAWDEMLSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717141 1345829526 /nfs/dbraw/zinc/82/95/26/1345829526.db2.gz KZJAQUMGNQIRTA-FXAWDEMLSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718013 1345829871 /nfs/dbraw/zinc/82/98/71/1345829871.db2.gz WKPHYLZVPCHBQE-PXNSSMCTSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718013 1345829872 /nfs/dbraw/zinc/82/98/72/1345829872.db2.gz WKPHYLZVPCHBQE-PXNSSMCTSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787945 1345850185 /nfs/dbraw/zinc/85/01/85/1345850185.db2.gz USJKNFHMVRLDQW-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041787945 1345850186 /nfs/dbraw/zinc/85/01/86/1345850186.db2.gz USJKNFHMVRLDQW-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001044006918 1346233237 /nfs/dbraw/zinc/23/32/37/1346233237.db2.gz YSDGYRWHBQYNLX-FXAWDEMLSA-N 2 2 343.515 3.153 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001044006918 1346233238 /nfs/dbraw/zinc/23/32/38/1346233238.db2.gz YSDGYRWHBQYNLX-FXAWDEMLSA-N 2 2 343.515 3.153 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628739 1346387104 /nfs/dbraw/zinc/38/71/04/1346387104.db2.gz XYHANLRXBHGBFE-AEFFLSMTSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628739 1346387106 /nfs/dbraw/zinc/38/71/06/1346387106.db2.gz XYHANLRXBHGBFE-AEFFLSMTSA-N 2 2 344.503 3.202 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001045061839 1346488664 /nfs/dbraw/zinc/48/86/64/1346488664.db2.gz PJGYITPRCABAQU-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001045061839 1346488667 /nfs/dbraw/zinc/48/86/67/1346488667.db2.gz PJGYITPRCABAQU-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001045092115 1346493441 /nfs/dbraw/zinc/49/34/41/1346493441.db2.gz UUCHCRVJPVFPJS-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP CC(C)=CC[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001045476159 1346603203 /nfs/dbraw/zinc/60/32/03/1346603203.db2.gz DJGUNBWXCBTXKA-UHFFFAOYSA-N 2 2 326.444 3.113 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001045500728 1346610949 /nfs/dbraw/zinc/61/09/49/1346610949.db2.gz JQKDKUVUNFBAAG-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047877147 1347396330 /nfs/dbraw/zinc/39/63/30/1347396330.db2.gz BNDODPJDTWQQDJ-ZBFHGGJFSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001047921728 1347410326 /nfs/dbraw/zinc/41/03/26/1347410326.db2.gz RHCLQILEWDCRFA-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525288 1347892262 /nfs/dbraw/zinc/89/22/62/1347892262.db2.gz DEPITLRNVJCDQI-XYVMCAHJSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525288 1347892263 /nfs/dbraw/zinc/89/22/63/1347892263.db2.gz DEPITLRNVJCDQI-XYVMCAHJSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525288 1347892267 /nfs/dbraw/zinc/89/22/67/1347892267.db2.gz DEPITLRNVJCDQI-XYVMCAHJSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525288 1347892270 /nfs/dbraw/zinc/89/22/70/1347892270.db2.gz DEPITLRNVJCDQI-XYVMCAHJSA-N 2 2 344.503 3.015 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759464 1348004883 /nfs/dbraw/zinc/00/48/83/1348004883.db2.gz PNOPKQXBCYJVLC-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759464 1348004884 /nfs/dbraw/zinc/00/48/84/1348004884.db2.gz PNOPKQXBCYJVLC-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780840 1348018398 /nfs/dbraw/zinc/01/83/98/1348018398.db2.gz JKQPMMVONCOXCC-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780840 1348018399 /nfs/dbraw/zinc/01/83/99/1348018399.db2.gz JKQPMMVONCOXCC-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780840 1348018401 /nfs/dbraw/zinc/01/84/01/1348018401.db2.gz JKQPMMVONCOXCC-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780840 1348018403 /nfs/dbraw/zinc/01/84/03/1348018403.db2.gz JKQPMMVONCOXCC-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050078985 1348175363 /nfs/dbraw/zinc/17/53/63/1348175363.db2.gz VJYCJDDQBCHJER-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050078985 1348175365 /nfs/dbraw/zinc/17/53/65/1348175365.db2.gz VJYCJDDQBCHJER-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087502 1348911755 /nfs/dbraw/zinc/91/17/55/1348911755.db2.gz LJGZDYVKIFXHOB-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087502 1348911759 /nfs/dbraw/zinc/91/17/59/1348911759.db2.gz LJGZDYVKIFXHOB-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087502 1348911764 /nfs/dbraw/zinc/91/17/64/1348911764.db2.gz LJGZDYVKIFXHOB-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087502 1348911772 /nfs/dbraw/zinc/91/17/72/1348911772.db2.gz LJGZDYVKIFXHOB-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092502 1348919167 /nfs/dbraw/zinc/91/91/67/1348919167.db2.gz HFGVQRFPHAAITM-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092502 1348919170 /nfs/dbraw/zinc/91/91/70/1348919170.db2.gz HFGVQRFPHAAITM-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053094145 1348922480 /nfs/dbraw/zinc/92/24/80/1348922480.db2.gz UAJPGEDMUYDZHZ-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053094145 1348922483 /nfs/dbraw/zinc/92/24/83/1348922483.db2.gz UAJPGEDMUYDZHZ-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCc3ccc4c(c3)C[N@H+](C(C)C)C4)ccn12 ZINC001054265099 1349262740 /nfs/dbraw/zinc/26/27/40/1349262740.db2.gz DTBMHJQEIYUQFW-UHFFFAOYSA-N 2 2 348.450 3.297 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCc3ccc4c(c3)C[N@@H+](C(C)C)C4)ccn12 ZINC001054265099 1349262743 /nfs/dbraw/zinc/26/27/43/1349262743.db2.gz DTBMHJQEIYUQFW-UHFFFAOYSA-N 2 2 348.450 3.297 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CC(C)(C)C3)C2)c(C)[nH+]1 ZINC001054922289 1349514564 /nfs/dbraw/zinc/51/45/64/1349514564.db2.gz LIODEVKNODROOE-RDTXWAMCSA-N 2 2 343.515 3.493 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074073475 1356069082 /nfs/dbraw/zinc/06/90/82/1356069082.db2.gz ZLZUSWGELWRVHT-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074073475 1356069086 /nfs/dbraw/zinc/06/90/86/1356069086.db2.gz ZLZUSWGELWRVHT-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183628644 1387325791 /nfs/dbraw/zinc/32/57/91/1387325791.db2.gz CLFHAFLAMRCWSZ-YIEVGGLXSA-N 2 2 326.444 3.113 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001085373684 1358481327 /nfs/dbraw/zinc/48/13/27/1358481327.db2.gz CWZATSXPTCGODI-CGTJXYLNSA-N 2 2 340.471 3.039 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672554 1358677338 /nfs/dbraw/zinc/67/73/38/1358677338.db2.gz AQZDGOODTKARPS-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672554 1358677339 /nfs/dbraw/zinc/67/73/39/1358677339.db2.gz AQZDGOODTKARPS-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001086954011 1359274237 /nfs/dbraw/zinc/27/42/37/1359274237.db2.gz ABKZVCSEAFPGSQ-INIZCTEOSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCC(C)(C)C)[C@@H]3C)ccn12 ZINC001088567511 1359976785 /nfs/dbraw/zinc/97/67/85/1359976785.db2.gz SIYCBXJVAFBQMJ-WBVHZDCISA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCC(C)(C)C)[C@@H]3C)ccn12 ZINC001088567511 1359976787 /nfs/dbraw/zinc/97/67/87/1359976787.db2.gz SIYCBXJVAFBQMJ-WBVHZDCISA-N 2 2 342.487 3.272 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001089203687 1360250044 /nfs/dbraw/zinc/25/00/44/1360250044.db2.gz BWIYXNPKWWQTKN-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001089203687 1360250045 /nfs/dbraw/zinc/25/00/45/1360250045.db2.gz BWIYXNPKWWQTKN-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184532843 1387485493 /nfs/dbraw/zinc/48/54/93/1387485493.db2.gz BXVFYYDQBXUGHV-VGRIIWOTSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184532843 1387485497 /nfs/dbraw/zinc/48/54/97/1387485497.db2.gz BXVFYYDQBXUGHV-VGRIIWOTSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184654397 1387504423 /nfs/dbraw/zinc/50/44/23/1387504423.db2.gz WCQBZLPSPSPWPD-HZPDHXFCSA-N 2 2 342.487 3.297 20 0 EGADLP CCC[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098822275 1363482729 /nfs/dbraw/zinc/48/27/29/1363482729.db2.gz YFOHHGGEAFNLIO-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158660 1363662660 /nfs/dbraw/zinc/66/26/60/1363662660.db2.gz KACKGSOPBKFZSK-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158660 1363662668 /nfs/dbraw/zinc/66/26/68/1363662668.db2.gz KACKGSOPBKFZSK-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001099283487 1363731688 /nfs/dbraw/zinc/73/16/88/1363731688.db2.gz CNHLKTOLUNCIQH-ZIAGYGMSSA-N 2 2 343.393 3.008 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357961 1363771212 /nfs/dbraw/zinc/77/12/12/1363771212.db2.gz CWXNGXHOCHNHKP-MSOLQXFVSA-N 2 2 348.535 3.316 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357961 1363771214 /nfs/dbraw/zinc/77/12/14/1363771214.db2.gz CWXNGXHOCHNHKP-MSOLQXFVSA-N 2 2 348.535 3.316 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099365171 1363775477 /nfs/dbraw/zinc/77/54/77/1363775477.db2.gz WPYAMQRWSPMOHV-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099365171 1363775481 /nfs/dbraw/zinc/77/54/81/1363775481.db2.gz WPYAMQRWSPMOHV-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446054 1364117402 /nfs/dbraw/zinc/11/74/02/1364117402.db2.gz MQSVEYNKOPWCBB-ARJAWSKDSA-N 2 2 326.444 3.017 20 0 EGADLP CCC(CC)C[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598600 1364649370 /nfs/dbraw/zinc/64/93/70/1364649370.db2.gz XFNPJLIIRQXNAX-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454843 1365064866 /nfs/dbraw/zinc/06/48/66/1365064866.db2.gz VGTFWFQCXZCRKS-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454843 1365064869 /nfs/dbraw/zinc/06/48/69/1365064869.db2.gz VGTFWFQCXZCRKS-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454843 1365064873 /nfs/dbraw/zinc/06/48/73/1365064873.db2.gz VGTFWFQCXZCRKS-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454843 1365064876 /nfs/dbraw/zinc/06/48/76/1365064876.db2.gz VGTFWFQCXZCRKS-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)CC1 ZINC001324761558 1387762235 /nfs/dbraw/zinc/76/22/35/1387762235.db2.gz WMPAVQJGCMKBFY-HXUWFJFHSA-N 2 2 339.483 3.194 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001104738345 1366151118 /nfs/dbraw/zinc/15/11/18/1366151118.db2.gz RCIHJEQRIQNEPY-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH+](CCC2CC2)CC1 ZINC001324868716 1387797956 /nfs/dbraw/zinc/79/79/56/1387797956.db2.gz MTBZSMSUFXWKOM-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185787359 1387799272 /nfs/dbraw/zinc/79/92/72/1387799272.db2.gz FVHFVKDGSCKTOL-MOPGFXCFSA-N 2 2 348.535 3.318 20 0 EGADLP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532715 1366514441 /nfs/dbraw/zinc/51/44/41/1366514441.db2.gz RNOVJWJKZAHRRF-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567954 1366535784 /nfs/dbraw/zinc/53/57/84/1366535784.db2.gz BKXHPUFKUMDQQR-FUHWJXTLSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567954 1366535786 /nfs/dbraw/zinc/53/57/86/1366535786.db2.gz BKXHPUFKUMDQQR-FUHWJXTLSA-N 2 2 346.519 3.138 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C2)c[nH+]1 ZINC001106308082 1366648988 /nfs/dbraw/zinc/64/89/88/1366648988.db2.gz ZZYMFARSQXSSOO-NVXWUHKLSA-N 2 2 348.535 3.047 20 0 EGADLP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445411 1366966023 /nfs/dbraw/zinc/96/60/23/1366966023.db2.gz XBCOXMMQTIXIDD-NLWGTHIKSA-N 2 2 346.519 3.241 20 0 EGADLP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445411 1366966026 /nfs/dbraw/zinc/96/60/26/1366966026.db2.gz XBCOXMMQTIXIDD-NLWGTHIKSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433365 1367118626 /nfs/dbraw/zinc/11/86/26/1367118626.db2.gz LFPJAOYWVCSYSJ-YDZRNGNQSA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433365 1367118629 /nfs/dbraw/zinc/11/86/29/1367118629.db2.gz LFPJAOYWVCSYSJ-YDZRNGNQSA-N 2 2 346.519 3.238 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177771 1367192652 /nfs/dbraw/zinc/19/26/52/1367192652.db2.gz SFWYEVFCUDDEGU-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177771 1367192655 /nfs/dbraw/zinc/19/26/55/1367192655.db2.gz SFWYEVFCUDDEGU-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935737 1367385458 /nfs/dbraw/zinc/38/54/58/1367385458.db2.gz VHTMOABYKMFYHT-WBVHZDCISA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935737 1367385461 /nfs/dbraw/zinc/38/54/61/1367385461.db2.gz VHTMOABYKMFYHT-WBVHZDCISA-N 2 2 342.487 3.391 20 0 EGADLP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321145 1367476680 /nfs/dbraw/zinc/47/66/80/1367476680.db2.gz SJPFLUJKJUMVBE-INIZCTEOSA-N 2 2 328.460 3.061 20 0 EGADLP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321145 1367476682 /nfs/dbraw/zinc/47/66/82/1367476682.db2.gz SJPFLUJKJUMVBE-INIZCTEOSA-N 2 2 328.460 3.061 20 0 EGADLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cn(C)nc2C(F)F)CC1 ZINC001196935939 1368717331 /nfs/dbraw/zinc/71/73/31/1368717331.db2.gz MVGGLDXYUMLHOY-MRXNPFEDSA-N 2 2 340.462 3.444 20 0 EGADLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cn(C)nc2C(F)F)CC1 ZINC001196935939 1368717332 /nfs/dbraw/zinc/71/73/32/1368717332.db2.gz MVGGLDXYUMLHOY-MRXNPFEDSA-N 2 2 340.462 3.444 20 0 EGADLP CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001112429087 1368844118 /nfs/dbraw/zinc/84/41/18/1368844118.db2.gz RDWCKWMAIBNMAT-JXFKEZNVSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001198021195 1368943854 /nfs/dbraw/zinc/94/38/54/1368943854.db2.gz GUXVUIXRHXFORK-QGZVFWFLSA-N 2 2 343.515 3.085 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001198021195 1368943858 /nfs/dbraw/zinc/94/38/58/1368943858.db2.gz GUXVUIXRHXFORK-QGZVFWFLSA-N 2 2 343.515 3.085 20 0 EGADLP CCCCC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571343 1369391596 /nfs/dbraw/zinc/39/15/96/1369391596.db2.gz VCJUIEWULRPGOM-UHFFFAOYSA-N 2 2 328.460 3.027 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C ZINC001113439716 1369430059 /nfs/dbraw/zinc/43/00/59/1369430059.db2.gz PRYBCTXSDVEZCJ-FQEVSTJZSA-N 2 2 345.531 3.006 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201259568 1369505635 /nfs/dbraw/zinc/50/56/35/1369505635.db2.gz ADDOPEBUFTYNQZ-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP CC(C)(C)C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201446613 1369546625 /nfs/dbraw/zinc/54/66/25/1369546625.db2.gz GLSSQRABCADSOZ-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201446613 1369546635 /nfs/dbraw/zinc/54/66/35/1369546635.db2.gz GLSSQRABCADSOZ-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684106 1369564285 /nfs/dbraw/zinc/56/42/85/1369564285.db2.gz OHYMVAALQHWBRO-LJQANCHMSA-N 2 2 331.504 3.014 20 0 EGADLP CC[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520727 1369564611 /nfs/dbraw/zinc/56/46/11/1369564611.db2.gz LZNNCQHEDNRLAN-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@H](C)C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520727 1369564612 /nfs/dbraw/zinc/56/46/12/1369564612.db2.gz LZNNCQHEDNRLAN-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001201863604 1369635799 /nfs/dbraw/zinc/63/57/99/1369635799.db2.gz IHILYDRPRKFKKY-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857606 1369909491 /nfs/dbraw/zinc/90/94/91/1369909491.db2.gz VAAONHBCEFOWLK-CVEARBPZSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnc5ccccn45)C[C@@H]3C2)cc1 ZINC001203149357 1370000391 /nfs/dbraw/zinc/00/03/91/1370000391.db2.gz YGQWCZXDVDVUQO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnc5ccccn45)C[C@@H]3C2)cc1 ZINC001203149357 1370000397 /nfs/dbraw/zinc/00/03/97/1370000397.db2.gz YGQWCZXDVDVUQO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnc5ccccn45)C[C@@H]3C2)cc1 ZINC001203149357 1370000402 /nfs/dbraw/zinc/00/04/02/1370000402.db2.gz YGQWCZXDVDVUQO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnc5ccccn45)C[C@@H]3C2)cc1 ZINC001203149357 1370000411 /nfs/dbraw/zinc/00/04/11/1370000411.db2.gz YGQWCZXDVDVUQO-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001203760161 1370253295 /nfs/dbraw/zinc/25/32/95/1370253295.db2.gz LSPSDCVLXXYDNC-HXUWFJFHSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC001203760161 1370253296 /nfs/dbraw/zinc/25/32/96/1370253296.db2.gz LSPSDCVLXXYDNC-HXUWFJFHSA-N 2 2 346.515 3.387 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC001203858251 1370291206 /nfs/dbraw/zinc/29/12/06/1370291206.db2.gz HKWOKSTVOAMKKN-MRXNPFEDSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC001203858251 1370291211 /nfs/dbraw/zinc/29/12/11/1370291211.db2.gz HKWOKSTVOAMKKN-MRXNPFEDSA-N 2 2 328.412 3.061 20 0 EGADLP COCC[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204432450 1370475596 /nfs/dbraw/zinc/47/55/96/1370475596.db2.gz XWXXCUJROZDFJH-UHFFFAOYSA-N 2 2 346.393 3.128 20 0 EGADLP COCC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204432450 1370475599 /nfs/dbraw/zinc/47/55/99/1370475599.db2.gz XWXXCUJROZDFJH-UHFFFAOYSA-N 2 2 346.393 3.128 20 0 EGADLP c1ccc2nc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2c1 ZINC001204500388 1370494163 /nfs/dbraw/zinc/49/41/63/1370494163.db2.gz SREMXKITJICUHM-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP [NH3+]CC[C@H]1C[N@H+](Cc2c(Br)ccc3ccccc32)CCO1 ZINC001204757487 1370569244 /nfs/dbraw/zinc/56/92/44/1370569244.db2.gz YDZMYKUIRVLQQK-AWEZNQCLSA-N 2 2 349.272 3.152 20 0 EGADLP [NH3+]CC[C@H]1C[N@@H+](Cc2c(Br)ccc3ccccc32)CCO1 ZINC001204757487 1370569249 /nfs/dbraw/zinc/56/92/49/1370569249.db2.gz YDZMYKUIRVLQQK-AWEZNQCLSA-N 2 2 349.272 3.152 20 0 EGADLP CC[C@H](F)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115595120 1370596906 /nfs/dbraw/zinc/59/69/06/1370596906.db2.gz ONZLEHDPZNQUEY-HNNXBMFYSA-N 2 2 346.450 3.333 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C[NH3+])cc2)cc1 ZINC001204931341 1370608261 /nfs/dbraw/zinc/60/82/61/1370608261.db2.gz BCZQIBJDJCCUDC-FQEVSTJZSA-N 2 2 338.451 3.453 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C[NH3+])cc2)cc1 ZINC001204931341 1370608265 /nfs/dbraw/zinc/60/82/65/1370608265.db2.gz BCZQIBJDJCCUDC-FQEVSTJZSA-N 2 2 338.451 3.453 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC(=O)C(C)C ZINC001205008881 1370626944 /nfs/dbraw/zinc/62/69/44/1370626944.db2.gz GIFBDRUHVRYCKJ-KRWDZBQOSA-N 2 2 348.487 3.078 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC(=O)C(C)C ZINC001205008881 1370626949 /nfs/dbraw/zinc/62/69/49/1370626949.db2.gz GIFBDRUHVRYCKJ-KRWDZBQOSA-N 2 2 348.487 3.078 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009220 1370627363 /nfs/dbraw/zinc/62/73/63/1370627363.db2.gz IZLZMWBLAMAVKF-OAHLLOKOSA-N 2 2 343.471 3.084 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205009220 1370627368 /nfs/dbraw/zinc/62/73/68/1370627368.db2.gz IZLZMWBLAMAVKF-OAHLLOKOSA-N 2 2 343.471 3.084 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205131430 1370659197 /nfs/dbraw/zinc/65/91/97/1370659197.db2.gz ZFVKXDMRUSAZNU-AWEZNQCLSA-N 2 2 327.266 3.079 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205131430 1370659200 /nfs/dbraw/zinc/65/92/00/1370659200.db2.gz ZFVKXDMRUSAZNU-AWEZNQCLSA-N 2 2 327.266 3.079 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]CC[C@@H]3C)o2)cc1 ZINC001205326058 1370721994 /nfs/dbraw/zinc/72/19/94/1370721994.db2.gz UHICHOXZUHNGFW-HNNXBMFYSA-N 2 2 342.439 3.307 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]CC[C@@H]3C)o2)cc1 ZINC001205326058 1370721996 /nfs/dbraw/zinc/72/19/96/1370721996.db2.gz UHICHOXZUHNGFW-HNNXBMFYSA-N 2 2 342.439 3.307 20 0 EGADLP C[N@@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC001205376757 1370735510 /nfs/dbraw/zinc/73/55/10/1370735510.db2.gz NLUHXCKJVJQWPU-QGZVFWFLSA-N 2 2 335.451 3.255 20 0 EGADLP C[N@H+](Cc1c2ccccc2[nH]c1-c1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC001205376757 1370735516 /nfs/dbraw/zinc/73/55/16/1370735516.db2.gz NLUHXCKJVJQWPU-QGZVFWFLSA-N 2 2 335.451 3.255 20 0 EGADLP CC/C=C\CC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521969 1370779677 /nfs/dbraw/zinc/77/96/77/1370779677.db2.gz KYFIQJOFXTUBPT-ARJAWSKDSA-N 2 2 340.471 3.361 20 0 EGADLP COc1nc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC001205582972 1370799999 /nfs/dbraw/zinc/79/99/99/1370799999.db2.gz KYBGCILAIDUMAY-NRFANRHFSA-N 2 2 339.483 3.400 20 0 EGADLP COc1nc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC001205582972 1370800002 /nfs/dbraw/zinc/80/00/02/1370800002.db2.gz KYBGCILAIDUMAY-NRFANRHFSA-N 2 2 339.483 3.400 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001205623993 1370814803 /nfs/dbraw/zinc/81/48/03/1370814803.db2.gz MYECGHAGAUFVTB-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001205623993 1370814808 /nfs/dbraw/zinc/81/48/08/1370814808.db2.gz MYECGHAGAUFVTB-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001205623993 1370814811 /nfs/dbraw/zinc/81/48/11/1370814811.db2.gz MYECGHAGAUFVTB-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001205623993 1370814815 /nfs/dbraw/zinc/81/48/15/1370814815.db2.gz MYECGHAGAUFVTB-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]CCC(C)C)CC2)c(C)[nH+]1 ZINC001205727859 1370852860 /nfs/dbraw/zinc/85/28/60/1370852860.db2.gz JCVZDENDFMKWMD-UHFFFAOYSA-N 2 2 331.504 3.495 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916916 1370910517 /nfs/dbraw/zinc/91/05/17/1370910517.db2.gz WIUZGWVATWYCBZ-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916916 1370910521 /nfs/dbraw/zinc/91/05/21/1370910521.db2.gz WIUZGWVATWYCBZ-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206058568 1370950684 /nfs/dbraw/zinc/95/06/84/1370950684.db2.gz GGPAFTYNNNXKEU-FOIQADDNSA-N 2 2 325.456 3.242 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206058568 1370950686 /nfs/dbraw/zinc/95/06/86/1370950686.db2.gz GGPAFTYNNNXKEU-FOIQADDNSA-N 2 2 325.456 3.242 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@@H]1F ZINC001206173137 1370979946 /nfs/dbraw/zinc/97/99/46/1370979946.db2.gz FIFSMOCDENRNEQ-QWHCGFSZSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@@H]1F ZINC001206173137 1370979953 /nfs/dbraw/zinc/97/99/53/1370979953.db2.gz FIFSMOCDENRNEQ-QWHCGFSZSA-N 2 2 340.240 3.192 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206173640 1370980035 /nfs/dbraw/zinc/98/00/35/1370980035.db2.gz IXONXWVLQBWVMG-LSDHHAIUSA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206173640 1370980037 /nfs/dbraw/zinc/98/00/37/1370980037.db2.gz IXONXWVLQBWVMG-LSDHHAIUSA-N 2 2 337.826 3.158 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157379 1371015501 /nfs/dbraw/zinc/01/55/01/1371015501.db2.gz MCOVROGBMUVGAJ-WMLDXEAASA-N 2 2 348.878 3.297 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157379 1371015504 /nfs/dbraw/zinc/01/55/04/1371015504.db2.gz MCOVROGBMUVGAJ-WMLDXEAASA-N 2 2 348.878 3.297 20 0 EGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336296 1371026382 /nfs/dbraw/zinc/02/63/82/1371026382.db2.gz LDPAECBPFMCVFU-FQEVSTJZSA-N 3 2 333.495 3.052 20 0 EGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206336296 1371026383 /nfs/dbraw/zinc/02/63/83/1371026383.db2.gz LDPAECBPFMCVFU-FQEVSTJZSA-N 3 2 333.495 3.052 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1C[NH+](C)C ZINC001206502684 1371076035 /nfs/dbraw/zinc/07/60/35/1371076035.db2.gz JLDFHHBVEPQRRC-UHFFFAOYSA-N 2 2 340.467 3.256 20 0 EGADLP CCc1ccc([C@H](CNC(=O)[C@H](C)n2cc[nH+]c2)[NH+](CC)CC)cc1 ZINC001117790630 1371085316 /nfs/dbraw/zinc/08/53/16/1371085316.db2.gz CTTRSDNWGJPMEH-LPHOPBHVSA-N 2 2 342.487 3.206 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001206572640 1371096725 /nfs/dbraw/zinc/09/67/25/1371096725.db2.gz FVHWYPRDKCWNNK-HNNXBMFYSA-N 2 2 332.366 3.242 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001206572640 1371096731 /nfs/dbraw/zinc/09/67/31/1371096731.db2.gz FVHWYPRDKCWNNK-HNNXBMFYSA-N 2 2 332.366 3.242 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)c1Cl ZINC001206582923 1371100059 /nfs/dbraw/zinc/10/00/59/1371100059.db2.gz QCYLJORDCSRJDN-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)c1Cl ZINC001206582923 1371100062 /nfs/dbraw/zinc/10/00/62/1371100062.db2.gz QCYLJORDCSRJDN-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1O ZINC001206641376 1371115857 /nfs/dbraw/zinc/11/58/57/1371115857.db2.gz WKHPBMCNIXLFCW-GFCCVEGCSA-N 2 2 327.266 3.024 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1O ZINC001206641376 1371115858 /nfs/dbraw/zinc/11/58/58/1371115858.db2.gz WKHPBMCNIXLFCW-GFCCVEGCSA-N 2 2 327.266 3.024 20 0 EGADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001206733830 1371148462 /nfs/dbraw/zinc/14/84/62/1371148462.db2.gz DAZWTPSWMPJRMW-IBGZPJMESA-N 2 2 340.442 3.402 20 0 EGADLP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356871 1371372082 /nfs/dbraw/zinc/37/20/82/1371372082.db2.gz KTXUDADVLXTMKW-IXDOHACOSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356871 1371372086 /nfs/dbraw/zinc/37/20/86/1371372086.db2.gz KTXUDADVLXTMKW-IXDOHACOSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CCO1 ZINC001207356871 1371372092 /nfs/dbraw/zinc/37/20/92/1371372092.db2.gz KTXUDADVLXTMKW-IXDOHACOSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CCO1 ZINC001207356871 1371372095 /nfs/dbraw/zinc/37/20/95/1371372095.db2.gz KTXUDADVLXTMKW-IXDOHACOSA-N 2 2 349.544 3.245 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248795 1371513797 /nfs/dbraw/zinc/51/37/97/1371513797.db2.gz WOHYXSYRXDTBFI-UHFFFAOYSA-N 2 2 334.508 3.118 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCC4CCCC4)C[C@@H]3C2)cn1 ZINC001208088871 1371592847 /nfs/dbraw/zinc/59/28/47/1371592847.db2.gz UDUYDUSRYHXVSJ-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCC4CCCC4)C[C@@H]3C2)cn1 ZINC001208088871 1371592855 /nfs/dbraw/zinc/59/28/55/1371592855.db2.gz UDUYDUSRYHXVSJ-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCC4CCCC4)C[C@@H]3C2)cn1 ZINC001208088871 1371592858 /nfs/dbraw/zinc/59/28/58/1371592858.db2.gz UDUYDUSRYHXVSJ-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCC4CCCC4)C[C@@H]3C2)cn1 ZINC001208088871 1371592861 /nfs/dbraw/zinc/59/28/61/1371592861.db2.gz UDUYDUSRYHXVSJ-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208419853 1371760979 /nfs/dbraw/zinc/76/09/79/1371760979.db2.gz CYPCBQJIBOJPDD-DOTOQJQBSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)C(F)(F)F)[C@@H]2C ZINC001208889573 1371933668 /nfs/dbraw/zinc/93/36/68/1371933668.db2.gz AANDCONLSYAJOK-QWHCGFSZSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H](C)C(F)(F)F)[C@@H]2C ZINC001208889573 1371933670 /nfs/dbraw/zinc/93/36/70/1371933670.db2.gz AANDCONLSYAJOK-QWHCGFSZSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H](C)C(F)(F)F)[C@@H]2C ZINC001208889573 1371933671 /nfs/dbraw/zinc/93/36/71/1371933671.db2.gz AANDCONLSYAJOK-QWHCGFSZSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H](C)C(F)(F)F)[C@@H]2C ZINC001208889573 1371933674 /nfs/dbraw/zinc/93/36/74/1371933674.db2.gz AANDCONLSYAJOK-QWHCGFSZSA-N 2 2 332.414 3.298 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](CCOc4ccccc4)C[C@@H]3C2)c1 ZINC001209296208 1372061914 /nfs/dbraw/zinc/06/19/14/1372061914.db2.gz AFHIDWZTJJQRPH-IAGOWNOFSA-N 2 2 328.481 3.191 20 0 EGADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452202 1372110295 /nfs/dbraw/zinc/11/02/95/1372110295.db2.gz HJZUNOORCWRDAU-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452202 1372110301 /nfs/dbraw/zinc/11/03/01/1372110301.db2.gz HJZUNOORCWRDAU-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP CC[C@H](C[N@H+](C(C)C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC001209471780 1372114753 /nfs/dbraw/zinc/11/47/53/1372114753.db2.gz DADBVOOCIJNWPB-OAHLLOKOSA-N 2 2 327.513 3.094 20 0 EGADLP CC[C@H](C[N@@H+](C(C)C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC001209471780 1372114757 /nfs/dbraw/zinc/11/47/57/1372114757.db2.gz DADBVOOCIJNWPB-OAHLLOKOSA-N 2 2 327.513 3.094 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC001122016044 1372153275 /nfs/dbraw/zinc/15/32/75/1372153275.db2.gz VKFGKXRPARHKGS-IBGZPJMESA-N 2 2 341.430 3.278 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC001122016044 1372153277 /nfs/dbraw/zinc/15/32/77/1372153277.db2.gz VKFGKXRPARHKGS-IBGZPJMESA-N 2 2 341.430 3.278 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC001209766424 1372189843 /nfs/dbraw/zinc/18/98/43/1372189843.db2.gz FKMQMYOSHPFIAF-SFHVURJKSA-N 2 2 334.423 3.433 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC001209766424 1372189850 /nfs/dbraw/zinc/18/98/50/1372189850.db2.gz FKMQMYOSHPFIAF-SFHVURJKSA-N 2 2 334.423 3.433 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210668428 1372403455 /nfs/dbraw/zinc/40/34/55/1372403455.db2.gz NXPLSNFUIWHHOP-OAHLLOKOSA-N 2 2 334.508 3.094 20 0 EGADLP C[C@@H](CC(F)(F)C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211895705 1372629849 /nfs/dbraw/zinc/62/98/49/1372629849.db2.gz KHJLTZMASZIXRN-NSHDSACASA-N 2 2 333.342 3.010 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001212969804 1372808134 /nfs/dbraw/zinc/80/81/34/1372808134.db2.gz AXTNSTXWBGFAFC-UHFFFAOYSA-N 3 2 339.487 3.423 20 0 EGADLP Cc1[nH]c2ccc(Nc3ccccc3CN3CC[NH+](C)CC3)cc2[nH+]1 ZINC001213074190 1372834666 /nfs/dbraw/zinc/83/46/66/1372834666.db2.gz IIRXOLUHVWOBJK-UHFFFAOYSA-N 2 2 335.455 3.362 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001126448678 1372966627 /nfs/dbraw/zinc/96/66/27/1372966627.db2.gz WSDMQSPQLMUBOS-HNNXBMFYSA-N 2 2 342.487 3.107 20 0 EGADLP C[NH+](C)Cc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC001216230879 1373286497 /nfs/dbraw/zinc/28/64/97/1373286497.db2.gz HAHSZOLOOQBTOG-UHFFFAOYSA-N 2 2 343.446 3.463 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001130006308 1373445149 /nfs/dbraw/zinc/44/51/49/1373445149.db2.gz BTHBUXDFRZPATF-MAUKXSAKSA-N 2 2 346.450 3.076 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001130006292 1373445410 /nfs/dbraw/zinc/44/54/10/1373445410.db2.gz AZBCGFBAYGADMT-PKOBYXMFSA-N 2 2 342.487 3.246 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3sc(Cl)nc3c2)cc1 ZINC001218901395 1373665963 /nfs/dbraw/zinc/66/59/63/1373665963.db2.gz JJQSDUYKXDDVIY-LBPRGKRZSA-N 2 2 346.843 3.161 20 0 EGADLP C[NH+]1CCC(CO[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC001224453022 1375068030 /nfs/dbraw/zinc/06/80/30/1375068030.db2.gz JCKQEDWWMLLVDE-AWEZNQCLSA-N 2 2 343.924 3.119 20 0 EGADLP C[NH+]1CCC(CO[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC001224453022 1375068033 /nfs/dbraw/zinc/06/80/33/1375068033.db2.gz JCKQEDWWMLLVDE-AWEZNQCLSA-N 2 2 343.924 3.119 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025581 1375105233 /nfs/dbraw/zinc/10/52/33/1375105233.db2.gz RLKWPGCTLHEISQ-JOGGYFKDSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025581 1375105235 /nfs/dbraw/zinc/10/52/35/1375105235.db2.gz RLKWPGCTLHEISQ-JOGGYFKDSA-N 2 2 332.492 3.058 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225646556 1375138457 /nfs/dbraw/zinc/13/84/57/1375138457.db2.gz DEAOBDCEKQNGNS-SFHVURJKSA-N 2 2 348.535 3.174 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195641 1375201684 /nfs/dbraw/zinc/20/16/84/1375201684.db2.gz RVKJDGOIKYAFFJ-XXCOWLKOSA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132195641 1375201688 /nfs/dbraw/zinc/20/16/88/1375201688.db2.gz RVKJDGOIKYAFFJ-XXCOWLKOSA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226885966 1375351983 /nfs/dbraw/zinc/35/19/83/1375351983.db2.gz RISLGHOGDIVOSL-XBWIGJANSA-N 2 2 344.503 3.277 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885966 1375351986 /nfs/dbraw/zinc/35/19/86/1375351986.db2.gz RISLGHOGDIVOSL-XBWIGJANSA-N 2 2 344.503 3.277 20 0 EGADLP C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132919547 1375643124 /nfs/dbraw/zinc/64/31/24/1375643124.db2.gz LKLNYHOHLAYVEC-YOEHRIQHSA-N 2 2 340.471 3.051 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228852389 1375693527 /nfs/dbraw/zinc/69/35/27/1375693527.db2.gz KFMKGIOHFJIBPO-CGKZAZMGSA-N 2 2 332.492 3.208 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001229045996 1375750526 /nfs/dbraw/zinc/75/05/26/1375750526.db2.gz GUPNPUXBCQAQDR-ATZDWAIDSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001229045996 1375750533 /nfs/dbraw/zinc/75/05/33/1375750533.db2.gz GUPNPUXBCQAQDR-ATZDWAIDSA-N 2 2 346.519 3.186 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229045583 1375750762 /nfs/dbraw/zinc/75/07/62/1375750762.db2.gz CSEZAVPNWRTCNY-BMGDILEWSA-N 2 2 334.508 3.042 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229045583 1375750771 /nfs/dbraw/zinc/75/07/71/1375750771.db2.gz CSEZAVPNWRTCNY-BMGDILEWSA-N 2 2 334.508 3.042 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)c(Cl)c3)C[C@@H]2C1 ZINC001231435105 1376242318 /nfs/dbraw/zinc/24/23/18/1376242318.db2.gz IAVHEHLKPNYHST-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)c(Cl)c3)C[C@@H]2C1 ZINC001231435105 1376242320 /nfs/dbraw/zinc/24/23/20/1376242320.db2.gz IAVHEHLKPNYHST-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(Cl)c3)C[C@@H]2C1 ZINC001231435105 1376242325 /nfs/dbraw/zinc/24/23/25/1376242325.db2.gz IAVHEHLKPNYHST-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(Cl)c3)C[C@@H]2C1 ZINC001231435105 1376242326 /nfs/dbraw/zinc/24/23/26/1376242326.db2.gz IAVHEHLKPNYHST-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP Clc1cccnc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001231958562 1376362335 /nfs/dbraw/zinc/36/23/35/1376362335.db2.gz XOHHGCKIXKQRAL-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cccnc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001231958562 1376362347 /nfs/dbraw/zinc/36/23/47/1376362347.db2.gz XOHHGCKIXKQRAL-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cccnc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001231958562 1376362361 /nfs/dbraw/zinc/36/23/61/1376362361.db2.gz XOHHGCKIXKQRAL-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cccnc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001231958562 1376362367 /nfs/dbraw/zinc/36/23/67/1376362367.db2.gz XOHHGCKIXKQRAL-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4cccc5c[nH]nc54)C3)C2)c1 ZINC001231972209 1376365599 /nfs/dbraw/zinc/36/55/99/1376365599.db2.gz XQPDYTWVRUGUKK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4cccc5c[nH]nc54)C3)C2)c1 ZINC001231972209 1376365604 /nfs/dbraw/zinc/36/56/04/1376365604.db2.gz XQPDYTWVRUGUKK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001231972209 1376365615 /nfs/dbraw/zinc/36/56/15/1376365615.db2.gz XQPDYTWVRUGUKK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001231972209 1376365622 /nfs/dbraw/zinc/36/56/22/1376365622.db2.gz XQPDYTWVRUGUKK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232014568 1376383334 /nfs/dbraw/zinc/38/33/34/1376383334.db2.gz QTSBJRBIQIQKBA-RTBURBONSA-N 3 2 332.451 3.127 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227659 1376424160 /nfs/dbraw/zinc/42/41/60/1376424160.db2.gz JEICJIYDMSYINF-HOTGVXAUSA-N 2 2 348.535 3.432 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)c1 ZINC001134227480 1376424211 /nfs/dbraw/zinc/42/42/11/1376424211.db2.gz HQDGTGUKVPLWHM-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Nc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232369825 1376450815 /nfs/dbraw/zinc/45/08/15/1376450815.db2.gz OSSJBYUOPCKUGT-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232369825 1376450823 /nfs/dbraw/zinc/45/08/23/1376450823.db2.gz OSSJBYUOPCKUGT-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369825 1376450827 /nfs/dbraw/zinc/45/08/27/1376450827.db2.gz OSSJBYUOPCKUGT-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369825 1376450834 /nfs/dbraw/zinc/45/08/34/1376450834.db2.gz OSSJBYUOPCKUGT-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403456 1376512847 /nfs/dbraw/zinc/51/28/47/1376512847.db2.gz NLRPIQPCFBRLMR-HOTGVXAUSA-N 2 2 348.535 3.071 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544371 1376584882 /nfs/dbraw/zinc/58/48/82/1376584882.db2.gz GGRKBBCSKNIEKX-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544371 1376584889 /nfs/dbraw/zinc/58/48/89/1376584889.db2.gz GGRKBBCSKNIEKX-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001233364069 1376629690 /nfs/dbraw/zinc/62/96/90/1376629690.db2.gz OQYTVHGCJRSSGG-AZUAARDMSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001233364069 1376629694 /nfs/dbraw/zinc/62/96/94/1376629694.db2.gz OQYTVHGCJRSSGG-AZUAARDMSA-N 2 2 332.451 3.041 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC(F)(F)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739382 1376688694 /nfs/dbraw/zinc/68/86/94/1376688694.db2.gz DDMXAIJEHCYOBR-WDEREUQCSA-N 2 2 342.365 3.002 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134971402 1376819506 /nfs/dbraw/zinc/81/95/06/1376819506.db2.gz XLNNFYDSIMUNOD-GJZGRUSLSA-N 2 2 330.476 3.257 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccccn2)c(C)[nH+]1 ZINC001135039210 1376863383 /nfs/dbraw/zinc/86/33/83/1376863383.db2.gz VDGQJLYHDLHKDD-ZBFHGGJFSA-N 2 2 340.471 3.089 20 0 EGADLP CC[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236005812 1376926088 /nfs/dbraw/zinc/92/60/88/1376926088.db2.gz FMGBKADIUWWJQC-CYBMUJFWSA-N 2 2 334.357 3.497 20 0 EGADLP CC[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236005812 1376926095 /nfs/dbraw/zinc/92/60/95/1376926095.db2.gz FMGBKADIUWWJQC-CYBMUJFWSA-N 2 2 334.357 3.497 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138222 1376929167 /nfs/dbraw/zinc/92/91/67/1376929167.db2.gz YLPYRMKOXUHUEH-IAGOWNOFSA-N 2 2 332.492 3.037 20 0 EGADLP Fc1ccc(C[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389147 1376952147 /nfs/dbraw/zinc/95/21/47/1376952147.db2.gz SWJWZIWCRHWODY-FQEVSTJZSA-N 3 2 345.506 3.160 20 0 EGADLP Fc1ccc(C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389147 1376952154 /nfs/dbraw/zinc/95/21/54/1376952154.db2.gz SWJWZIWCRHWODY-FQEVSTJZSA-N 3 2 345.506 3.160 20 0 EGADLP c1ccc(-c2[nH]c3ccccc3c2C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237140935 1376976481 /nfs/dbraw/zinc/97/64/81/1376976481.db2.gz CQFJAVBEPWOXNE-JOCHJYFZSA-N 2 2 347.462 3.399 20 0 EGADLP c1ccc(-c2[nH]c3ccccc3c2C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237140935 1376976486 /nfs/dbraw/zinc/97/64/86/1376976486.db2.gz CQFJAVBEPWOXNE-JOCHJYFZSA-N 2 2 347.462 3.399 20 0 EGADLP CCOc1cc(OC)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001250071371 1377081186 /nfs/dbraw/zinc/08/11/86/1377081186.db2.gz NZIQFBQHWNPLKK-SFHVURJKSA-N 2 2 342.439 3.451 20 0 EGADLP CCOc1cc(OC)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001250071371 1377081187 /nfs/dbraw/zinc/08/11/87/1377081187.db2.gz NZIQFBQHWNPLKK-SFHVURJKSA-N 2 2 342.439 3.451 20 0 EGADLP C[NH+](C)CCc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001136270421 1377370835 /nfs/dbraw/zinc/37/08/35/1377370835.db2.gz UGFYDQQCKYNKTO-UHFFFAOYSA-N 2 2 334.423 3.229 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267116235 1377414008 /nfs/dbraw/zinc/41/40/08/1377414008.db2.gz CTJCNBIFDAGKJY-SFHVURJKSA-N 2 2 348.535 3.412 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267116235 1377414009 /nfs/dbraw/zinc/41/40/09/1377414009.db2.gz CTJCNBIFDAGKJY-SFHVURJKSA-N 2 2 348.535 3.412 20 0 EGADLP Cc1cccn2c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc12 ZINC001136964489 1377446557 /nfs/dbraw/zinc/44/65/57/1377446557.db2.gz VODANEJUTQZUSV-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1cccn2c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc12 ZINC001136964489 1377446559 /nfs/dbraw/zinc/44/65/59/1377446559.db2.gz VODANEJUTQZUSV-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)c1 ZINC001137023336 1377459659 /nfs/dbraw/zinc/45/96/59/1377459659.db2.gz LULPEJPANQISFF-KDURUIRLSA-N 2 2 340.492 3.342 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)c1 ZINC001137023336 1377459660 /nfs/dbraw/zinc/45/96/60/1377459660.db2.gz LULPEJPANQISFF-KDURUIRLSA-N 2 2 340.492 3.342 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)COC5)C[C@H]3C2)c1 ZINC001137023336 1377459662 /nfs/dbraw/zinc/45/96/62/1377459662.db2.gz LULPEJPANQISFF-KDURUIRLSA-N 2 2 340.492 3.342 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)COC5)C[C@H]3C2)c1 ZINC001137023336 1377459664 /nfs/dbraw/zinc/45/96/64/1377459664.db2.gz LULPEJPANQISFF-KDURUIRLSA-N 2 2 340.492 3.342 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038165 1377463028 /nfs/dbraw/zinc/46/30/28/1377463028.db2.gz TYVPACMTGBJIDE-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038165 1377463030 /nfs/dbraw/zinc/46/30/30/1377463030.db2.gz TYVPACMTGBJIDE-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038165 1377463032 /nfs/dbraw/zinc/46/30/32/1377463032.db2.gz TYVPACMTGBJIDE-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001137038165 1377463033 /nfs/dbraw/zinc/46/30/33/1377463033.db2.gz TYVPACMTGBJIDE-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001137265745 1377507379 /nfs/dbraw/zinc/50/73/79/1377507379.db2.gz WMRNBWUVWIEZAW-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnc5ccccc5c4)C[C@H]3C2)nc1 ZINC001137279621 1377509520 /nfs/dbraw/zinc/50/95/20/1377509520.db2.gz VTHJAOGSVOGYFE-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnc5ccccc5c4)C[C@H]3C2)nc1 ZINC001137279621 1377509522 /nfs/dbraw/zinc/50/95/22/1377509522.db2.gz VTHJAOGSVOGYFE-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@H]3C2)nc1 ZINC001137279621 1377509523 /nfs/dbraw/zinc/50/95/23/1377509523.db2.gz VTHJAOGSVOGYFE-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@H]3C2)nc1 ZINC001137279621 1377509525 /nfs/dbraw/zinc/50/95/25/1377509525.db2.gz VTHJAOGSVOGYFE-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1csc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1Cl ZINC001137289816 1377511307 /nfs/dbraw/zinc/51/13/07/1377511307.db2.gz LXRXDNMBZIOADL-UHFFFAOYSA-N 2 2 327.881 3.340 20 0 EGADLP Cc1ccc(Br)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001137380694 1377536556 /nfs/dbraw/zinc/53/65/56/1377536556.db2.gz UPBIQNQNTASAOC-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@H+]3C[C@@H](C)CC(C)C)ccn12 ZINC001269234545 1377544606 /nfs/dbraw/zinc/54/46/06/1377544606.db2.gz ATDQSYOKRFUBJO-YJBOKZPZSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@@H+]3C[C@@H](C)CC(C)C)ccn12 ZINC001269234545 1377544607 /nfs/dbraw/zinc/54/46/07/1377544607.db2.gz ATDQSYOKRFUBJO-YJBOKZPZSA-N 2 2 342.487 3.129 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(OC)c3)C[C@H]2C1 ZINC001138555935 1377741640 /nfs/dbraw/zinc/74/16/40/1377741640.db2.gz XQZMQOKHGRZFAM-HUUCEWRRSA-N 2 2 340.414 3.070 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC001138604051 1377751664 /nfs/dbraw/zinc/75/16/64/1377751664.db2.gz WBDPWPZZBMTXPE-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC001138604051 1377751665 /nfs/dbraw/zinc/75/16/65/1377751665.db2.gz WBDPWPZZBMTXPE-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP c1cc2cccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808234 1377788523 /nfs/dbraw/zinc/78/85/23/1377788523.db2.gz NHJKWHZJPNDXKC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cc2cccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808234 1377788525 /nfs/dbraw/zinc/78/85/25/1377788525.db2.gz NHJKWHZJPNDXKC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cc2cccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808234 1377788528 /nfs/dbraw/zinc/78/85/28/1377788528.db2.gz NHJKWHZJPNDXKC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cc2cccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808234 1377788531 /nfs/dbraw/zinc/78/85/31/1377788531.db2.gz NHJKWHZJPNDXKC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP Cc1cccc(N2CCC[N@H+](Cc3cnc4ccccc4n3)CC2)[nH+]1 ZINC001138865558 1377796831 /nfs/dbraw/zinc/79/68/31/1377796831.db2.gz LZOWZLFLGCKMQW-UHFFFAOYSA-N 2 2 333.439 3.046 20 0 EGADLP Cc1cccc(N2CCC[N@@H+](Cc3cnc4ccccc4n3)CC2)[nH+]1 ZINC001138865558 1377796838 /nfs/dbraw/zinc/79/68/38/1377796838.db2.gz LZOWZLFLGCKMQW-UHFFFAOYSA-N 2 2 333.439 3.046 20 0 EGADLP CCC(=O)Oc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001138965696 1377810334 /nfs/dbraw/zinc/81/03/34/1377810334.db2.gz ACYYZNKYGQIVGH-UHFFFAOYSA-N 2 2 348.462 3.400 20 0 EGADLP CC(C)[N@H+](Cc1ccc(N2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC001139347052 1377871248 /nfs/dbraw/zinc/87/12/48/1377871248.db2.gz WIJHPGUNYZYMQQ-UHFFFAOYSA-N 2 2 330.520 3.377 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(N2CCCCC2)nc1)C1CC[NH+](C)CC1 ZINC001139347052 1377871249 /nfs/dbraw/zinc/87/12/49/1377871249.db2.gz WIJHPGUNYZYMQQ-UHFFFAOYSA-N 2 2 330.520 3.377 20 0 EGADLP CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360704 1377874240 /nfs/dbraw/zinc/87/42/40/1377874240.db2.gz DRLHJEHOAPHTGV-QGZVFWFLSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360704 1377874241 /nfs/dbraw/zinc/87/42/41/1377874241.db2.gz DRLHJEHOAPHTGV-QGZVFWFLSA-N 2 2 341.455 3.426 20 0 EGADLP Cc1cncnc1O[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364631 1377874709 /nfs/dbraw/zinc/87/47/09/1377874709.db2.gz ZVEFGFVYVOWNIH-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364631 1377874710 /nfs/dbraw/zinc/87/47/10/1377874710.db2.gz ZVEFGFVYVOWNIH-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP COC(=O)c1cccc2[nH]cc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c21 ZINC001139721057 1377941003 /nfs/dbraw/zinc/94/10/03/1377941003.db2.gz WYIQXINZRKBZJP-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP COC(=O)c1cccc2[nH]cc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c21 ZINC001139721057 1377941004 /nfs/dbraw/zinc/94/10/04/1377941004.db2.gz WYIQXINZRKBZJP-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CC1 ZINC001139764079 1377948172 /nfs/dbraw/zinc/94/81/72/1377948172.db2.gz AHTHTXNBZGZEFI-UHFFFAOYSA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CC1 ZINC001139764079 1377948173 /nfs/dbraw/zinc/94/81/73/1377948173.db2.gz AHTHTXNBZGZEFI-UHFFFAOYSA-N 2 2 332.488 3.018 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cncc5ccccc54)C[C@@H]3C2)nc1 ZINC001139895541 1377974404 /nfs/dbraw/zinc/97/44/04/1377974404.db2.gz HIVXEQUOZIGWSZ-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001139996539 1377988785 /nfs/dbraw/zinc/98/87/85/1377988785.db2.gz JLJZZWSMRYAIEN-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001140027956 1377993055 /nfs/dbraw/zinc/99/30/55/1377993055.db2.gz IPNQHIAPMNNFQJ-SFHVURJKSA-N 2 2 341.455 3.487 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001140027956 1377993059 /nfs/dbraw/zinc/99/30/59/1377993059.db2.gz IPNQHIAPMNNFQJ-SFHVURJKSA-N 2 2 341.455 3.487 20 0 EGADLP Oc1cnccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140282258 1378041108 /nfs/dbraw/zinc/04/11/08/1378041108.db2.gz QRHADSBJDHJAPJ-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cnccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140282258 1378041109 /nfs/dbraw/zinc/04/11/09/1378041109.db2.gz QRHADSBJDHJAPJ-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cnccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001140282258 1378041110 /nfs/dbraw/zinc/04/11/10/1378041110.db2.gz QRHADSBJDHJAPJ-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cnccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001140282258 1378041111 /nfs/dbraw/zinc/04/11/11/1378041111.db2.gz QRHADSBJDHJAPJ-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001140801059 1378139056 /nfs/dbraw/zinc/13/90/56/1378139056.db2.gz AMVZJOHAUHEDLJ-GUYCJALGSA-N 2 2 342.443 3.004 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]21 ZINC001140801059 1378139059 /nfs/dbraw/zinc/13/90/59/1378139059.db2.gz AMVZJOHAUHEDLJ-GUYCJALGSA-N 2 2 342.443 3.004 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802391 1378141687 /nfs/dbraw/zinc/14/16/87/1378141687.db2.gz ULJNQCZGYWXGPT-OAHLLOKOSA-N 2 2 338.430 3.408 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802391 1378141688 /nfs/dbraw/zinc/14/16/88/1378141688.db2.gz ULJNQCZGYWXGPT-OAHLLOKOSA-N 2 2 338.430 3.408 20 0 EGADLP CC(C)(C)OC(=O)N1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC12CC2 ZINC001140805026 1378143274 /nfs/dbraw/zinc/14/32/74/1378143274.db2.gz OPFNYDGIAHAXCL-UHFFFAOYSA-N 2 2 342.443 3.148 20 0 EGADLP CC(C)(C)OC(=O)N1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC12CC2 ZINC001140805026 1378143276 /nfs/dbraw/zinc/14/32/76/1378143276.db2.gz OPFNYDGIAHAXCL-UHFFFAOYSA-N 2 2 342.443 3.148 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4c(N)cccc4F)C[C@@H]3C2)cc1 ZINC001140874074 1378164558 /nfs/dbraw/zinc/16/45/58/1378164558.db2.gz YFZQLGDPQWHJFT-ROUUACIJSA-N 2 2 339.458 3.280 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2c1ccnc2Cl ZINC001277366126 1378219262 /nfs/dbraw/zinc/21/92/62/1378219262.db2.gz VYDJTMVIFSQOPT-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c2c1ccnc2Cl ZINC001277366126 1378219265 /nfs/dbraw/zinc/21/92/65/1378219265.db2.gz VYDJTMVIFSQOPT-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c2c1ccnc2Cl ZINC001277366126 1378219272 /nfs/dbraw/zinc/21/92/72/1378219272.db2.gz VYDJTMVIFSQOPT-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2c1ccnc2Cl ZINC001277366126 1378219275 /nfs/dbraw/zinc/21/92/75/1378219275.db2.gz VYDJTMVIFSQOPT-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054676 1378223503 /nfs/dbraw/zinc/22/35/03/1378223503.db2.gz QWIMRYILZFQKKF-QXAKKESOSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054676 1378223507 /nfs/dbraw/zinc/22/35/07/1378223507.db2.gz QWIMRYILZFQKKF-QXAKKESOSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054676 1378223512 /nfs/dbraw/zinc/22/35/12/1378223512.db2.gz QWIMRYILZFQKKF-QXAKKESOSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054676 1378223518 /nfs/dbraw/zinc/22/35/18/1378223518.db2.gz QWIMRYILZFQKKF-QXAKKESOSA-N 2 2 340.471 3.111 20 0 EGADLP COc1ccc2nccc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c2c1 ZINC001141151538 1378249486 /nfs/dbraw/zinc/24/94/86/1378249486.db2.gz OONALWNPWMRRMW-UHFFFAOYSA-N 2 2 325.456 3.302 20 0 EGADLP COc1ccc2nccc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c2c1 ZINC001141151538 1378249490 /nfs/dbraw/zinc/24/94/90/1378249490.db2.gz OONALWNPWMRRMW-UHFFFAOYSA-N 2 2 325.456 3.302 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001278523014 1378279221 /nfs/dbraw/zinc/27/92/21/1378279221.db2.gz BQEKZEVEMACZFD-JCPMGCNXSA-N 2 2 343.515 3.495 20 0 EGADLP COc1ccsc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001141326602 1378303010 /nfs/dbraw/zinc/30/30/10/1378303010.db2.gz ANAYKMQMOKTTIW-IAGOWNOFSA-N 2 2 328.481 3.321 20 0 EGADLP CSc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)s1 ZINC001142022957 1378405866 /nfs/dbraw/zinc/40/58/66/1378405866.db2.gz QAXYIODFSRZALL-UHFFFAOYSA-N 2 2 325.503 3.100 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001143035184 1378530454 /nfs/dbraw/zinc/53/04/54/1378530454.db2.gz GVIRNBJVNQRJNV-PMACEKPBSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001143035184 1378530463 /nfs/dbraw/zinc/53/04/63/1378530463.db2.gz GVIRNBJVNQRJNV-PMACEKPBSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccc2[nH+]1 ZINC001143035186 1378530474 /nfs/dbraw/zinc/53/04/74/1378530474.db2.gz GVIRNBJVNQRJNV-VQTJNVASSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2[nH+]1 ZINC001143035186 1378530475 /nfs/dbraw/zinc/53/04/75/1378530475.db2.gz GVIRNBJVNQRJNV-VQTJNVASSA-N 2 2 332.451 3.041 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(OC)c2)CC1 ZINC001143157038 1378549802 /nfs/dbraw/zinc/54/98/02/1378549802.db2.gz WSAJZKQVSWLLLZ-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(OC)c2)CC1 ZINC001143157038 1378549807 /nfs/dbraw/zinc/54/98/07/1378549807.db2.gz WSAJZKQVSWLLLZ-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209988 1378560844 /nfs/dbraw/zinc/56/08/44/1378560844.db2.gz WEVNBZOUIQWELI-OAQYLSRUSA-N 2 2 336.483 3.070 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209988 1378560848 /nfs/dbraw/zinc/56/08/48/1378560848.db2.gz WEVNBZOUIQWELI-OAQYLSRUSA-N 2 2 336.483 3.070 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209988 1378560852 /nfs/dbraw/zinc/56/08/52/1378560852.db2.gz WEVNBZOUIQWELI-OAQYLSRUSA-N 2 2 336.483 3.070 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209988 1378560857 /nfs/dbraw/zinc/56/08/57/1378560857.db2.gz WEVNBZOUIQWELI-OAQYLSRUSA-N 2 2 336.483 3.070 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@H]3C2)cc1 ZINC001143213957 1378561724 /nfs/dbraw/zinc/56/17/24/1378561724.db2.gz GHPJNNZPPNEXCE-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP O=C(c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550773 1388558543 /nfs/dbraw/zinc/55/85/43/1388558543.db2.gz KBDKNLRXJKMGJS-UXHICEINSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550773 1388558545 /nfs/dbraw/zinc/55/85/45/1388558545.db2.gz KBDKNLRXJKMGJS-UXHICEINSA-N 2 2 341.499 3.029 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccnn2CC2CC2)[nH+]1 ZINC001327871386 1388611667 /nfs/dbraw/zinc/61/16/67/1388611667.db2.gz HJOMNJVZPZFEIF-QGZVFWFLSA-N 2 2 325.460 3.073 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccnn2CC2CC2)[nH+]1 ZINC001327871386 1388611671 /nfs/dbraw/zinc/61/16/71/1388611671.db2.gz HJOMNJVZPZFEIF-QGZVFWFLSA-N 2 2 325.460 3.073 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994893 1380173256 /nfs/dbraw/zinc/17/32/56/1380173256.db2.gz RNYDJJLESMYJGW-OAGJVSPASA-N 2 2 334.508 3.110 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994893 1380173258 /nfs/dbraw/zinc/17/32/58/1380173258.db2.gz RNYDJJLESMYJGW-OAGJVSPASA-N 2 2 334.508 3.110 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083443 1380202251 /nfs/dbraw/zinc/20/22/51/1380202251.db2.gz WNRHTDCXPITVKV-DBYORWSCSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083443 1380202253 /nfs/dbraw/zinc/20/22/53/1380202253.db2.gz WNRHTDCXPITVKV-DBYORWSCSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083443 1380202258 /nfs/dbraw/zinc/20/22/58/1380202258.db2.gz WNRHTDCXPITVKV-DBYORWSCSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083443 1380202260 /nfs/dbraw/zinc/20/22/60/1380202260.db2.gz WNRHTDCXPITVKV-DBYORWSCSA-N 2 2 346.519 3.006 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422272 1380274859 /nfs/dbraw/zinc/27/48/59/1380274859.db2.gz JZZKECJPNXBLEC-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422272 1380274861 /nfs/dbraw/zinc/27/48/61/1380274861.db2.gz JZZKECJPNXBLEC-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1cc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)cc(Cl)n1 ZINC001155054477 1380399341 /nfs/dbraw/zinc/39/93/41/1380399341.db2.gz ZDAINMMFGYECCD-UHFFFAOYSA-N 2 2 326.778 3.305 20 0 EGADLP Fc1ccc(Cl)nc1C(F)(F)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155058090 1380399813 /nfs/dbraw/zinc/39/98/13/1380399813.db2.gz TUAGZZOFCWNEMW-UHFFFAOYSA-N 2 2 330.741 3.135 20 0 EGADLP c1[nH]c2ccccc2c1-c1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057366 1380400077 /nfs/dbraw/zinc/40/00/77/1380400077.db2.gz FQERLDRWVZUGHA-UHFFFAOYSA-N 2 2 344.422 3.278 20 0 EGADLP COc1ccc2ccc(NCC[C@H]3C[NH2+]Cc4cccn4C3)[nH+]c2c1 ZINC001155457680 1380456091 /nfs/dbraw/zinc/45/60/91/1380456091.db2.gz AHPFJQRKLQUQEQ-HNNXBMFYSA-N 2 2 336.439 3.267 20 0 EGADLP CSCc1cc[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001156000989 1380512161 /nfs/dbraw/zinc/51/21/61/1380512161.db2.gz GHVMHSRNRYGUAW-UHFFFAOYSA-N 2 2 328.485 3.419 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NCCC[N@@H+]1CCCC[C@H]1C ZINC001156928275 1380731590 /nfs/dbraw/zinc/73/15/90/1380731590.db2.gz KFPZHFFOWPLAIS-ROJDOSBLSA-N 2 2 331.460 3.253 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NCCC[N@H+]1CCCC[C@H]1C ZINC001156928275 1380731592 /nfs/dbraw/zinc/73/15/92/1380731592.db2.gz KFPZHFFOWPLAIS-ROJDOSBLSA-N 2 2 331.460 3.253 20 0 EGADLP [NH3+][C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC001157971273 1381087874 /nfs/dbraw/zinc/08/78/74/1381087874.db2.gz WVZKZEHOYYMPSF-NHCUHLMSSA-N 2 2 345.446 3.013 20 0 EGADLP Cc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc2cc(Cl)ccc12 ZINC001158262011 1381177013 /nfs/dbraw/zinc/17/70/13/1381177013.db2.gz QDMFKFNDLHSRSX-HNNXBMFYSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc2cc(Cl)ccc12 ZINC001158262011 1381177015 /nfs/dbraw/zinc/17/70/15/1381177015.db2.gz QDMFKFNDLHSRSX-HNNXBMFYSA-N 2 2 344.890 3.198 20 0 EGADLP CCOC(=O)Cc1ccc[nH+]c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001158265731 1381178165 /nfs/dbraw/zinc/17/81/65/1381178165.db2.gz IQUBINCNRPFEPH-DNVCBOLYSA-N 2 2 333.476 3.143 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533812 1381285589 /nfs/dbraw/zinc/28/55/89/1381285589.db2.gz HXOGENRVTNXXBR-ZWKOTPCHSA-N 2 2 334.508 3.193 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533812 1381285596 /nfs/dbraw/zinc/28/55/96/1381285596.db2.gz HXOGENRVTNXXBR-ZWKOTPCHSA-N 2 2 334.508 3.193 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955221 1381485301 /nfs/dbraw/zinc/48/53/01/1381485301.db2.gz FVDKKIYRRAZQGJ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955221 1381485305 /nfs/dbraw/zinc/48/53/05/1381485305.db2.gz FVDKKIYRRAZQGJ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP Brc1cc(Nc2ccc3c(c2)CC[NH2+]C3)c2[nH+]ccn2c1 ZINC001159170033 1381706018 /nfs/dbraw/zinc/70/60/18/1381706018.db2.gz CNMSOHBHXSSVCF-UHFFFAOYSA-N 2 2 343.228 3.486 20 0 EGADLP CCOc1cc(C)ccc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159323228 1381762297 /nfs/dbraw/zinc/76/22/97/1381762297.db2.gz ICQCOPLMZHWGBG-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP Cc1ccc2c(Nc3ccccc3C(=O)N3CC[NH2+]CC3)cccc2[nH+]1 ZINC001159554490 1381828419 /nfs/dbraw/zinc/82/84/19/1381828419.db2.gz DTUROWYEJVTJCQ-UHFFFAOYSA-N 2 2 346.434 3.332 20 0 EGADLP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964654 1381952262 /nfs/dbraw/zinc/95/22/62/1381952262.db2.gz VFHOUFVYMOLALB-PLNGDYQASA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964654 1381952276 /nfs/dbraw/zinc/95/22/76/1381952276.db2.gz VFHOUFVYMOLALB-PLNGDYQASA-N 2 2 344.503 3.227 20 0 EGADLP Fc1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001160141862 1382013470 /nfs/dbraw/zinc/01/34/70/1382013470.db2.gz VCDVWCSOMMNIRZ-MRXNPFEDSA-N 2 2 342.418 3.305 20 0 EGADLP FC1(F)C[NH2+]CC[C@H]1Oc1ccc(Nc2ccc3c[nH+]cn3c2)cc1 ZINC001160347613 1382079143 /nfs/dbraw/zinc/07/91/43/1382079143.db2.gz FTSIKFZBPXPPIX-QGZVFWFLSA-N 2 2 344.365 3.454 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748411 1382185814 /nfs/dbraw/zinc/18/58/14/1382185814.db2.gz FJNLFDCJOWYLPY-UHFFFAOYSA-N 2 2 346.519 3.071 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001160748411 1382185817 /nfs/dbraw/zinc/18/58/17/1382185817.db2.gz FJNLFDCJOWYLPY-UHFFFAOYSA-N 2 2 346.519 3.071 20 0 EGADLP CCCN(CCC)C(=O)[C@H](c1ccc(C)cc1)[NH+]1CCC([NH3+])CC1 ZINC001160861016 1382219041 /nfs/dbraw/zinc/21/90/41/1382219041.db2.gz IFAGJFMINXOTLC-IBGZPJMESA-N 2 2 331.504 3.108 20 0 EGADLP CCc1cccc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001160984066 1382261123 /nfs/dbraw/zinc/26/11/23/1382261123.db2.gz DYSQLKZAEAOICF-UHFFFAOYSA-N 2 2 336.439 3.035 20 0 EGADLP O=C(NCCC[NH2+]CC/C=C/c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001160990069 1382263663 /nfs/dbraw/zinc/26/36/63/1382263663.db2.gz CNHXWDVYHMFNMF-RUDMXATFSA-N 2 2 348.450 3.376 20 0 EGADLP CCSc1cc[nH+]c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC001161240878 1382352254 /nfs/dbraw/zinc/35/22/54/1382352254.db2.gz HTTZQDGDVKMHFW-UHFFFAOYSA-N 2 2 335.517 3.497 20 0 EGADLP COc1cc(C)c[nH+]c1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161988839 1382590963 /nfs/dbraw/zinc/59/09/63/1382590963.db2.gz VIWWVALBWSSAFG-UHFFFAOYSA-N 2 2 329.419 3.078 20 0 EGADLP CCSc1cc[nH+]c(NCC2(c3cccnc3)CC[NH2+]CC2)c1 ZINC001162039636 1382611346 /nfs/dbraw/zinc/61/13/46/1382611346.db2.gz IBZTXPOSXZCENL-UHFFFAOYSA-N 2 2 328.485 3.322 20 0 EGADLP CCCCCCO[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001328647047 1388797117 /nfs/dbraw/zinc/79/71/17/1388797117.db2.gz ANNNLHPQAOETBS-AWEZNQCLSA-N 2 2 330.432 3.500 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c(Br)c[nH+]c2ccccc21 ZINC001162467691 1382766795 /nfs/dbraw/zinc/76/67/95/1382766795.db2.gz RTPMJBSDPNHUFX-CHWSQXEVSA-N 2 2 348.288 3.467 20 0 EGADLP Cc1cccc(C[NH2+]CCCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001162909515 1382912231 /nfs/dbraw/zinc/91/22/31/1382912231.db2.gz ACMSQRRQNSOGQH-UHFFFAOYSA-N 2 2 325.456 3.225 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CC2CC3(CCC3)C2)c(C)[nH+]1 ZINC001162910044 1382913316 /nfs/dbraw/zinc/91/33/16/1382913316.db2.gz HVRAOPRTHHSZPG-UHFFFAOYSA-N 2 2 329.488 3.297 20 0 EGADLP COc1c(F)cccc1[C@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001163338618 1383025632 /nfs/dbraw/zinc/02/56/32/1383025632.db2.gz UVZDCMIZWCPTEM-AWEZNQCLSA-N 2 2 344.434 3.154 20 0 EGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC(F)(F)C2)nc1 ZINC001164502606 1383194307 /nfs/dbraw/zinc/19/43/07/1383194307.db2.gz YWOOORZZIXQWFS-MRXNPFEDSA-N 2 2 338.446 3.064 20 0 EGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC(F)(F)C2)nc1 ZINC001164502606 1383194309 /nfs/dbraw/zinc/19/43/09/1383194309.db2.gz YWOOORZZIXQWFS-MRXNPFEDSA-N 2 2 338.446 3.064 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164536437 1383197501 /nfs/dbraw/zinc/19/75/01/1383197501.db2.gz LNOCIPJACCFCJT-OAHLLOKOSA-N 2 2 342.487 3.179 20 0 EGADLP CN(Cc1ccc(Cl)cc1)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165065201 1383220574 /nfs/dbraw/zinc/22/05/74/1383220574.db2.gz CCLDISUOLHJLQX-UHFFFAOYSA-N 2 2 330.863 3.123 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc3c(Cl)cccc3nc1Cl)CC[NH2+]CC2 ZINC001165355874 1383280787 /nfs/dbraw/zinc/28/07/87/1383280787.db2.gz KNKKAIJSGVYCLZ-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383190 1383283362 /nfs/dbraw/zinc/28/33/62/1383283362.db2.gz DPNQXYUJNIMRBY-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383190 1383283367 /nfs/dbraw/zinc/28/33/67/1383283367.db2.gz DPNQXYUJNIMRBY-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)n1cc[nH+]c1 ZINC001165638582 1383318751 /nfs/dbraw/zinc/31/87/51/1383318751.db2.gz VUYCPDGKZRNKRA-GOSISDBHSA-N 2 2 346.519 3.147 20 0 EGADLP CC(C)[NH+]1CCC(CNc2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC001166603656 1383444607 /nfs/dbraw/zinc/44/46/07/1383444607.db2.gz NCVWLGMKAINSAY-UHFFFAOYSA-N 2 2 327.476 3.228 20 0 EGADLP CCCc1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)nc(C)[nH+]1 ZINC001167161041 1383555334 /nfs/dbraw/zinc/55/53/34/1383555334.db2.gz RBTVNICUEJSTSE-UHFFFAOYSA-N 2 2 336.483 3.379 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001167331305 1383600121 /nfs/dbraw/zinc/60/01/21/1383600121.db2.gz DLGJQKSZJNGSBC-SJORKVTESA-N 2 2 346.519 3.045 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422106 1383629133 /nfs/dbraw/zinc/62/91/33/1383629133.db2.gz ITFLOKGFHBLEDL-FUTAKVPZSA-N 2 2 346.519 3.211 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422106 1383629134 /nfs/dbraw/zinc/62/91/34/1383629134.db2.gz ITFLOKGFHBLEDL-FUTAKVPZSA-N 2 2 346.519 3.211 20 0 EGADLP CCCc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001167429286 1383631904 /nfs/dbraw/zinc/63/19/04/1383631904.db2.gz QTLCKSUOKAUMLU-KRWDZBQOSA-N 2 2 342.487 3.083 20 0 EGADLP [NH3+]CCc1ccn(-c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)n1 ZINC001167731562 1383724235 /nfs/dbraw/zinc/72/42/35/1383724235.db2.gz KGWADPVFJCCKLJ-UHFFFAOYSA-N 2 2 337.814 3.342 20 0 EGADLP CCOCc1cnc2n1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]2C ZINC001167826007 1383750143 /nfs/dbraw/zinc/75/01/43/1383750143.db2.gz VJIAOVGBFBXGJR-IAGOWNOFSA-N 2 2 336.524 3.307 20 0 EGADLP CCOCc1cnc2n1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]2C ZINC001167826007 1383750148 /nfs/dbraw/zinc/75/01/48/1383750148.db2.gz VJIAOVGBFBXGJR-IAGOWNOFSA-N 2 2 336.524 3.307 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001167977826 1383785329 /nfs/dbraw/zinc/78/53/29/1383785329.db2.gz KEXWHZOUIVTKSC-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001167977826 1383785333 /nfs/dbraw/zinc/78/53/33/1383785333.db2.gz KEXWHZOUIVTKSC-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009771 1383796174 /nfs/dbraw/zinc/79/61/74/1383796174.db2.gz IBRWFXNIONSBMX-QWFCFKBJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009771 1383796179 /nfs/dbraw/zinc/79/61/79/1383796179.db2.gz IBRWFXNIONSBMX-QWFCFKBJSA-N 3 2 329.532 3.359 20 0 EGADLP COc1ccc2c(c1)C[C@H](N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168258256 1383855348 /nfs/dbraw/zinc/85/53/48/1383855348.db2.gz ZNXJKZISQYOMOS-GUDVDZBRSA-N 2 2 337.467 3.334 20 0 EGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1C ZINC001168372009 1383887636 /nfs/dbraw/zinc/88/76/36/1383887636.db2.gz RLDREHBTMWHTAI-UHFFFAOYSA-N 2 2 327.516 3.300 20 0 EGADLP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c(Br)ccc2[nH+]ccn21 ZINC001168602476 1383946197 /nfs/dbraw/zinc/94/61/97/1383946197.db2.gz OVOWTJUUVPKYIH-STQMWFEESA-N 2 2 337.265 3.382 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4[nH+]ccn4c3)CCO2)cc1 ZINC001168629750 1383951984 /nfs/dbraw/zinc/95/19/84/1383951984.db2.gz KMGCNQXDENGZRP-PKOBYXMFSA-N 2 2 337.423 3.353 20 0 EGADLP COC1CC[NH+](C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168744769 1383987907 /nfs/dbraw/zinc/98/79/07/1383987907.db2.gz RPVBEDIVOGGUIA-QGZVFWFLSA-N 2 2 348.918 3.382 20 0 EGADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901927 1384051593 /nfs/dbraw/zinc/05/15/93/1384051593.db2.gz DEMIHBPIKCPNPQ-LEWJYISDSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901927 1384051597 /nfs/dbraw/zinc/05/15/97/1384051597.db2.gz DEMIHBPIKCPNPQ-LEWJYISDSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901927 1384051603 /nfs/dbraw/zinc/05/16/03/1384051603.db2.gz DEMIHBPIKCPNPQ-LEWJYISDSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901927 1384051604 /nfs/dbraw/zinc/05/16/04/1384051604.db2.gz DEMIHBPIKCPNPQ-LEWJYISDSA-N 2 2 348.531 3.276 20 0 EGADLP CC(=O)c1nc(CC[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)[nH]c1C ZINC001308003429 1384073022 /nfs/dbraw/zinc/07/30/22/1384073022.db2.gz UXUAVRFHZQWKKA-SFHVURJKSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)[nH]c1C ZINC001308003429 1384073023 /nfs/dbraw/zinc/07/30/23/1384073023.db2.gz UXUAVRFHZQWKKA-SFHVURJKSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1[nH]c(CC[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)nc1C ZINC001308003429 1384073031 /nfs/dbraw/zinc/07/30/31/1384073031.db2.gz UXUAVRFHZQWKKA-SFHVURJKSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1[nH]c(CC[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)nc1C ZINC001308003429 1384073037 /nfs/dbraw/zinc/07/30/37/1384073037.db2.gz UXUAVRFHZQWKKA-SFHVURJKSA-N 2 2 346.519 3.050 20 0 EGADLP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001169086219 1384104709 /nfs/dbraw/zinc/10/47/09/1384104709.db2.gz RRQOGHMLCJCDQE-LEWJYISDSA-N 2 2 330.516 3.440 20 0 EGADLP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001169086219 1384104715 /nfs/dbraw/zinc/10/47/15/1384104715.db2.gz RRQOGHMLCJCDQE-LEWJYISDSA-N 2 2 330.516 3.440 20 0 EGADLP COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169097861 1384106879 /nfs/dbraw/zinc/10/68/79/1384106879.db2.gz CVKOZEUPBSLOBX-CLLJXQQHSA-N 2 2 328.378 3.429 20 0 EGADLP COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169097861 1384106881 /nfs/dbraw/zinc/10/68/81/1384106881.db2.gz CVKOZEUPBSLOBX-CLLJXQQHSA-N 2 2 328.378 3.429 20 0 EGADLP COC(=O)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C ZINC001308223839 1384110522 /nfs/dbraw/zinc/11/05/22/1384110522.db2.gz JSSNERLXZDLVID-UHFFFAOYSA-N 2 2 335.407 3.257 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160016 1384117225 /nfs/dbraw/zinc/11/72/25/1384117225.db2.gz AEXGEMIEMAQCGE-QLIIJSOBSA-N 2 2 331.479 3.130 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160016 1384117228 /nfs/dbraw/zinc/11/72/28/1384117228.db2.gz AEXGEMIEMAQCGE-QLIIJSOBSA-N 2 2 331.479 3.130 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)OC ZINC001308424780 1384125500 /nfs/dbraw/zinc/12/55/00/1384125500.db2.gz WITXWEKNDZEBMS-OAHLLOKOSA-N 2 2 337.851 3.130 20 0 EGADLP c1ccc([C@H](C[NH2+][C@@H]2CCCC3(C2)OCCO3)[NH+]2CCCC2)cc1 ZINC001169904982 1384196769 /nfs/dbraw/zinc/19/67/69/1384196769.db2.gz ILKRWTVHCGXEMK-MOPGFXCFSA-N 2 2 330.472 3.099 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001170417671 1384313565 /nfs/dbraw/zinc/31/35/65/1384313565.db2.gz MGCCYHUJGUMOIZ-FUHWJXTLSA-N 2 2 332.488 3.446 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001170427689 1384316196 /nfs/dbraw/zinc/31/61/96/1384316196.db2.gz XLHGMBRWBKCSFY-DLBZAZTESA-N 2 2 330.472 3.343 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001170427689 1384316200 /nfs/dbraw/zinc/31/62/00/1384316200.db2.gz XLHGMBRWBKCSFY-DLBZAZTESA-N 2 2 330.472 3.343 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482112 1384327304 /nfs/dbraw/zinc/32/73/04/1384327304.db2.gz BGHZVUBCOXKWDM-HNNXBMFYSA-N 2 2 334.508 3.043 20 0 EGADLP Fc1cc(F)c2c(c1)CC[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001170715632 1384372359 /nfs/dbraw/zinc/37/23/59/1384372359.db2.gz MJBSEDQYDHMWCR-QGZVFWFLSA-N 2 2 343.421 3.476 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H](C)F)ccn12 ZINC001170786336 1384385491 /nfs/dbraw/zinc/38/54/91/1384385491.db2.gz RZKAGYBILMDYDM-CABCVRRESA-N 2 2 348.466 3.269 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170844075 1384397151 /nfs/dbraw/zinc/39/71/51/1384397151.db2.gz HCFAXHNVMIKNJA-MRXNPFEDSA-N 2 2 325.294 3.238 20 0 EGADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc[nH+]c(N4CCCC4)n3)c2c1 ZINC001171167380 1384458868 /nfs/dbraw/zinc/45/88/68/1384458868.db2.gz YLZZDGPMNMTFJD-HNNXBMFYSA-N 2 2 335.455 3.219 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605737 1384577940 /nfs/dbraw/zinc/57/79/40/1384577940.db2.gz QLKYSWGEIABZDU-QZTJIDSGSA-N 2 2 348.535 3.290 20 0 EGADLP CCOC(=O)C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccnc1 ZINC001171623198 1384582703 /nfs/dbraw/zinc/58/27/03/1384582703.db2.gz ODLFOKHBSJCZLL-KRWDZBQOSA-N 2 2 347.503 3.317 20 0 EGADLP [NH3+]C[C@@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1ccc(Br)cc1 ZINC001171780340 1384633420 /nfs/dbraw/zinc/63/34/20/1384633420.db2.gz HSELXHXOYXZKSC-WMLDXEAASA-N 2 2 349.247 3.345 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171864293 1384664935 /nfs/dbraw/zinc/66/49/35/1384664935.db2.gz PTTYYCCKEASCEG-HXUWFJFHSA-N 2 2 343.515 3.003 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967593 1384698657 /nfs/dbraw/zinc/69/86/57/1384698657.db2.gz MLYYHUBQAVTBCJ-IBGZPJMESA-N 3 2 326.488 3.224 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H](F)C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976252 1384700623 /nfs/dbraw/zinc/70/06/23/1384700623.db2.gz JOJBJYGXOWJWLC-IPMKNSEASA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H](F)C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976252 1384700627 /nfs/dbraw/zinc/70/06/27/1384700627.db2.gz JOJBJYGXOWJWLC-IPMKNSEASA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2C[C@H](F)C[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976252 1384700629 /nfs/dbraw/zinc/70/06/29/1384700629.db2.gz JOJBJYGXOWJWLC-IPMKNSEASA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@H+]2C[C@H](F)C[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976252 1384700633 /nfs/dbraw/zinc/70/06/33/1384700633.db2.gz JOJBJYGXOWJWLC-IPMKNSEASA-N 2 2 334.479 3.082 20 0 EGADLP C[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064046 1384715339 /nfs/dbraw/zinc/71/53/39/1384715339.db2.gz DWQHORMUPZYNDN-WKCHPHFGSA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+]1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064046 1384715342 /nfs/dbraw/zinc/71/53/42/1384715342.db2.gz DWQHORMUPZYNDN-WKCHPHFGSA-N 3 2 327.516 3.256 20 0 EGADLP C[N@H+](Cc1ccncn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081255 1384722662 /nfs/dbraw/zinc/72/26/62/1384722662.db2.gz BKGISMZJXBEMCE-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[N@@H+](Cc1ccncn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081255 1384722667 /nfs/dbraw/zinc/72/26/67/1384722667.db2.gz BKGISMZJXBEMCE-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+](Cc1ccncn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172081255 1384722669 /nfs/dbraw/zinc/72/26/69/1384722669.db2.gz BKGISMZJXBEMCE-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+](Cc1ccncn1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172081255 1384722672 /nfs/dbraw/zinc/72/26/72/1384722672.db2.gz BKGISMZJXBEMCE-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CCCN3C(=O)OC(C)(C)C)C2 ZINC001172121707 1384734844 /nfs/dbraw/zinc/73/48/44/1384734844.db2.gz SXOHGQRFKTXKTI-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CCCN3C(=O)OC(C)(C)C)C2 ZINC001172121707 1384734848 /nfs/dbraw/zinc/73/48/48/1384734848.db2.gz SXOHGQRFKTXKTI-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP c1ccc(N(C2CC[NH2+]CC2)[C@@H]2CSc3ccccc3C2)[nH+]c1 ZINC001172208270 1384749461 /nfs/dbraw/zinc/74/94/61/1384749461.db2.gz IAYRIMUKSUMCMC-KRWDZBQOSA-N 2 2 325.481 3.357 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccncc2Cl)C2CC2)CC1 ZINC001172248806 1384756154 /nfs/dbraw/zinc/75/61/54/1384756154.db2.gz OEXFOSTXYQZFLK-SFHVURJKSA-N 2 2 337.895 3.277 20 0 EGADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561461 1384812360 /nfs/dbraw/zinc/81/23/60/1384812360.db2.gz WOQSALNPKJHYDY-CZYKHXBRSA-N 2 2 335.495 3.124 20 0 EGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640492 1384824960 /nfs/dbraw/zinc/82/49/60/1384824960.db2.gz OGRGURVXEQBDKP-GVDBMIGSSA-N 2 2 339.524 3.368 20 0 EGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640492 1384824964 /nfs/dbraw/zinc/82/49/64/1384824964.db2.gz OGRGURVXEQBDKP-GVDBMIGSSA-N 2 2 339.524 3.368 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C1)CC2 ZINC001172829144 1384860504 /nfs/dbraw/zinc/86/05/04/1384860504.db2.gz ATJOUIBVXDSCGU-DNVJHFABSA-N 2 2 347.506 3.311 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172860150 1384867099 /nfs/dbraw/zinc/86/70/99/1384867099.db2.gz XVPFIDIICIAFKR-CJNGLKHVSA-N 2 2 340.870 3.253 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172860150 1384867103 /nfs/dbraw/zinc/86/71/03/1384867103.db2.gz XVPFIDIICIAFKR-CJNGLKHVSA-N 2 2 340.870 3.253 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC001172919907 1384879398 /nfs/dbraw/zinc/87/93/98/1384879398.db2.gz YPCHVDBOXAWJDY-QUCCMNQESA-N 2 2 332.488 3.207 20 0 EGADLP CO[C@@H]1CCC[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938972 1384884060 /nfs/dbraw/zinc/88/40/60/1384884060.db2.gz SCYGATFNRCETMF-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938972 1384884066 /nfs/dbraw/zinc/88/40/66/1384884066.db2.gz SCYGATFNRCETMF-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938972 1384884070 /nfs/dbraw/zinc/88/40/70/1384884070.db2.gz SCYGATFNRCETMF-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938972 1384884073 /nfs/dbraw/zinc/88/40/73/1384884073.db2.gz SCYGATFNRCETMF-SOLBZPMBSA-N 2 2 334.508 3.058 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059871 1384904279 /nfs/dbraw/zinc/90/42/79/1384904279.db2.gz LIQSOSJNYIEVKL-ULQDDVLXSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059871 1384904283 /nfs/dbraw/zinc/90/42/83/1384904283.db2.gz LIQSOSJNYIEVKL-ULQDDVLXSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173063604 1384905029 /nfs/dbraw/zinc/90/50/29/1384905029.db2.gz BXUVLQSUQZMHRI-DOTOQJQBSA-N 2 2 348.491 3.308 20 0 EGADLP CCCOC1CCC(N(c2cc[nH+]c(OC)c2)C2CC[NH2+]CC2)CC1 ZINC001173102316 1384914656 /nfs/dbraw/zinc/91/46/56/1384914656.db2.gz KZABXERVVHUBCD-UHFFFAOYSA-N 2 2 347.503 3.386 20 0 EGADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001173257185 1384946005 /nfs/dbraw/zinc/94/60/05/1384946005.db2.gz RFMMSTGVWUNDPU-PMPSAXMXSA-N 2 2 327.513 3.128 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001173616031 1384988453 /nfs/dbraw/zinc/98/84/53/1384988453.db2.gz IULZZQKYKCULHG-FFEBTUMSSA-N 2 2 336.520 3.208 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001317253586 1385024124 /nfs/dbraw/zinc/02/41/24/1385024124.db2.gz FPZICIKYJFRLGI-AWEZNQCLSA-N 2 2 331.485 3.019 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001317408912 1385120469 /nfs/dbraw/zinc/12/04/69/1385120469.db2.gz NWGMJZDKEBEDJF-CXAGYDPISA-N 2 2 348.878 3.241 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580211 1385122005 /nfs/dbraw/zinc/12/20/05/1385122005.db2.gz IDZKDPSMGBTCIC-MSOLQXFVSA-N 2 2 336.524 3.220 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175478564 1385305728 /nfs/dbraw/zinc/30/57/28/1385305728.db2.gz LHQUOEGFJZZPRL-AWEZNQCLSA-N 2 2 348.878 3.070 20 0 EGADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001317616946 1385355438 /nfs/dbraw/zinc/35/54/38/1385355438.db2.gz NTLNAVUYDJCHOB-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP Cc1cccn2cc(CC(=O)N[C@H](C)CCCC[NH2+]CC(C)C)[nH+]c12 ZINC001175703739 1385378822 /nfs/dbraw/zinc/37/88/22/1385378822.db2.gz KKEMYKZKDFDPJS-QGZVFWFLSA-N 2 2 344.503 3.106 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3cc(C)[nH+]c(OC)c3)cc2)CC1 ZINC001175782171 1385403502 /nfs/dbraw/zinc/40/35/02/1385403502.db2.gz ORKMIBHIKRVWHW-UHFFFAOYSA-N 2 2 326.444 3.284 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880934 1385428395 /nfs/dbraw/zinc/42/83/95/1385428395.db2.gz IDOZMTFJXFFAGX-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175887918 1385430262 /nfs/dbraw/zinc/43/02/62/1385430262.db2.gz FJYJIMKGSVBECH-CQSZACIVSA-N 2 2 348.878 3.070 20 0 EGADLP C[NH+](C)CCOc1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176223845 1385517718 /nfs/dbraw/zinc/51/77/18/1385517718.db2.gz LJYBZJMCWKPODH-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176352024 1385560875 /nfs/dbraw/zinc/56/08/75/1385560875.db2.gz YTYDBSKFRZHKAO-OAHLLOKOSA-N 2 2 346.519 3.106 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317993957 1385605021 /nfs/dbraw/zinc/60/50/21/1385605021.db2.gz GYWHTNYJGWXSPV-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317993957 1385605023 /nfs/dbraw/zinc/60/50/23/1385605023.db2.gz GYWHTNYJGWXSPV-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP CCN(CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)c1ccccc1 ZINC001318500416 1385727953 /nfs/dbraw/zinc/72/79/53/1385727953.db2.gz DLDSIXLPYUSNQQ-UHFFFAOYSA-N 2 2 335.411 3.041 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OCC2CC2)nc1 ZINC001318546090 1385749172 /nfs/dbraw/zinc/74/91/72/1385749172.db2.gz IOEFZNUHBXVXKJ-UHFFFAOYSA-N 2 2 349.394 3.012 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccn(-c2ccccc2)n1 ZINC001318584025 1385772778 /nfs/dbraw/zinc/77/27/78/1385772778.db2.gz BTSUOQCFSVTZTE-UHFFFAOYSA-N 2 2 344.378 3.014 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC001177351799 1385925115 /nfs/dbraw/zinc/92/51/15/1385925115.db2.gz RQENNYZKWXLUNU-HNNXBMFYSA-N 2 2 348.878 3.174 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177448769 1385960241 /nfs/dbraw/zinc/96/02/41/1385960241.db2.gz UZYIVVWVLXWKSE-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP COc1ccccc1OCC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319490918 1386144532 /nfs/dbraw/zinc/14/45/32/1386144532.db2.gz QJNJTNNQKQAZOK-KRWDZBQOSA-N 2 2 341.455 3.354 20 0 EGADLP COc1ccccc1OCC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001319490918 1386144537 /nfs/dbraw/zinc/14/45/37/1386144537.db2.gz QJNJTNNQKQAZOK-KRWDZBQOSA-N 2 2 341.455 3.354 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(-n2cccc2)nc1 ZINC001319502065 1386149724 /nfs/dbraw/zinc/14/97/24/1386149724.db2.gz HXDZXQSZFFRBPR-UHFFFAOYSA-N 2 2 344.378 3.014 20 0 EGADLP CC[N@H+](C)CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001319884321 1386359151 /nfs/dbraw/zinc/35/91/51/1386359151.db2.gz ACFUZBTZNFHGOQ-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP CC[N@@H+](C)CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001319884321 1386359157 /nfs/dbraw/zinc/35/91/57/1386359157.db2.gz ACFUZBTZNFHGOQ-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957121 1386359812 /nfs/dbraw/zinc/35/98/12/1386359812.db2.gz NEFMULYRZTYXMI-WDSOQIARSA-N 2 2 348.535 3.486 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)CCn2cc[nH+]c2)cs1 ZINC001179180060 1386419695 /nfs/dbraw/zinc/41/96/95/1386419695.db2.gz OELKSUAZVFHFCA-UHFFFAOYSA-N 2 2 348.516 3.110 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179692421 1386555825 /nfs/dbraw/zinc/55/58/25/1386555825.db2.gz PXLJSMSNXLWGES-GJYPPUQNSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179692421 1386555828 /nfs/dbraw/zinc/55/58/28/1386555828.db2.gz PXLJSMSNXLWGES-GJYPPUQNSA-N 2 2 346.519 3.138 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180178928 1386722816 /nfs/dbraw/zinc/72/28/16/1386722816.db2.gz KYWSSCNPSQFUDI-UHFFFAOYSA-N 2 2 336.524 3.199 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C(F)(F)c1ncccc1C ZINC001320941280 1386765394 /nfs/dbraw/zinc/76/53/94/1386765394.db2.gz GIUMVBFQWXWSKE-UHFFFAOYSA-N 2 2 343.337 3.010 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180469591 1386807423 /nfs/dbraw/zinc/80/74/23/1386807423.db2.gz APGOZSZXTRPFAW-SFHVURJKSA-N 2 2 342.487 3.219 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652708 1386949636 /nfs/dbraw/zinc/94/96/36/1386949636.db2.gz LLYCNJLLVKJZBF-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652708 1386949648 /nfs/dbraw/zinc/94/96/48/1386949648.db2.gz LLYCNJLLVKJZBF-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217004 1387106115 /nfs/dbraw/zinc/10/61/15/1387106115.db2.gz BNENYEDKIHAWID-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217004 1387106118 /nfs/dbraw/zinc/10/61/18/1387106118.db2.gz BNENYEDKIHAWID-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001336754195 1389157088 /nfs/dbraw/zinc/15/70/88/1389157088.db2.gz CFACODZOGVAUIN-HZPDHXFCSA-N 2 2 339.842 3.414 20 0 EGADLP Cc1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3C(F)(F)F)CC2)no1 ZINC001329721577 1389209395 /nfs/dbraw/zinc/20/93/95/1389209395.db2.gz AFWPTFRTBCGSAS-UHFFFAOYSA-N 2 2 340.349 3.109 20 0 EGADLP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3C(F)(F)F)CC2)no1 ZINC001329721577 1389209401 /nfs/dbraw/zinc/20/94/01/1389209401.db2.gz AFWPTFRTBCGSAS-UHFFFAOYSA-N 2 2 340.349 3.109 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[C@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001337068244 1389247821 /nfs/dbraw/zinc/24/78/21/1389247821.db2.gz DOIJQRCXHRXDBP-OAHLLOKOSA-N 2 2 326.444 3.412 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC001338614076 1389716178 /nfs/dbraw/zinc/71/61/78/1389716178.db2.gz QLPMRFYHVLLHTK-UHFFFAOYSA-N 2 2 346.500 3.299 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2CN(c3nc4ccccc4n4c[nH+]cc34)C[C@H]2C1 ZINC001333874632 1390426755 /nfs/dbraw/zinc/42/67/55/1390426755.db2.gz BPPJRVJFIAHHOB-ARFHVFGLSA-N 2 2 335.455 3.049 20 0 EGADLP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219056 1390500725 /nfs/dbraw/zinc/50/07/25/1390500725.db2.gz YOQXSTPCEQFQGW-JKSUJKDBSA-N 2 2 325.456 3.198 20 0 EGADLP C[C@H]1Cc2cc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219056 1390500726 /nfs/dbraw/zinc/50/07/26/1390500726.db2.gz YOQXSTPCEQFQGW-JKSUJKDBSA-N 2 2 325.456 3.198 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001348559784 1391237939 /nfs/dbraw/zinc/23/79/39/1391237939.db2.gz QYHTUVFFGPAFPM-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC001480804948 1392944891 /nfs/dbraw/zinc/94/48/91/1392944891.db2.gz IWCLRMLIUPPULW-CHWSQXEVSA-N 2 2 348.878 3.160 20 0 EGADLP CC[C@H]([NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001481256515 1393154100 /nfs/dbraw/zinc/15/41/00/1393154100.db2.gz MOXNKHZNFQTSQR-KRWDZBQOSA-N 2 2 336.439 3.147 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001481290765 1393159433 /nfs/dbraw/zinc/15/94/33/1393159433.db2.gz QHOXYPVYMUTSBR-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001481290765 1393159434 /nfs/dbraw/zinc/15/94/34/1393159434.db2.gz QHOXYPVYMUTSBR-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698931527 1406668946 /nfs/dbraw/zinc/66/89/46/1406668946.db2.gz MHHDHHOGCMTGLW-GJZGRUSLSA-N 2 2 328.460 3.049 20 0 EGADLP CCC[N@H+](C)CC(=O)NC1C[NH+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001481596810 1394416755 /nfs/dbraw/zinc/41/67/55/1394416755.db2.gz CYQQORSRAFJLSU-MRXNPFEDSA-N 2 2 345.531 3.187 20 0 EGADLP CCC[N@@H+](C)CC(=O)NC1C[NH+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001481596810 1394416758 /nfs/dbraw/zinc/41/67/58/1394416758.db2.gz CYQQORSRAFJLSU-MRXNPFEDSA-N 2 2 345.531 3.187 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001491126326 1394443218 /nfs/dbraw/zinc/44/32/18/1394443218.db2.gz NCMJEDRXNACDPB-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001491126326 1394443223 /nfs/dbraw/zinc/44/32/23/1394443223.db2.gz NCMJEDRXNACDPB-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001481861799 1394565110 /nfs/dbraw/zinc/56/51/10/1394565110.db2.gz PRBMUIOFVDCKEK-HZPDHXFCSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]C/C=C\Cl)CC2)c(C)[nH+]1 ZINC001482019463 1394676187 /nfs/dbraw/zinc/67/61/87/1394676187.db2.gz JJXORNZCSCAYBF-VJYZAXEGSA-N 2 2 335.879 3.390 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484356408 1395344579 /nfs/dbraw/zinc/34/45/79/1395344579.db2.gz CPARQVDQYPRVHH-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP CCC(CC)C[N@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992928 1406784876 /nfs/dbraw/zinc/78/48/76/1406784876.db2.gz NXNRMPSZPNCKFC-UHFFFAOYSA-N 2 2 342.487 3.312 20 0 EGADLP CCC(CC)C[N@@H+](C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698992928 1406784881 /nfs/dbraw/zinc/78/48/81/1406784881.db2.gz NXNRMPSZPNCKFC-UHFFFAOYSA-N 2 2 342.487 3.312 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001503290780 1396250080 /nfs/dbraw/zinc/25/00/80/1396250080.db2.gz PZDYEDPVHXJWHR-HNNXBMFYSA-N 2 2 336.439 3.170 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1)n1cc[nH+]c1 ZINC001495948802 1396574511 /nfs/dbraw/zinc/57/45/11/1396574511.db2.gz KSUXVUQKICQDDZ-KRWDZBQOSA-N 2 2 346.519 3.433 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001690855913 1404778671 /nfs/dbraw/zinc/77/86/71/1404778671.db2.gz AJCQUVZRHSKVCW-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001690865259 1404784164 /nfs/dbraw/zinc/78/41/64/1404784164.db2.gz IJRCFWDFYJZOBA-HOTGVXAUSA-N 2 2 342.487 3.321 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001732039984 1428267793 /nfs/dbraw/zinc/26/77/93/1428267793.db2.gz AJMYGEQLGGXVCJ-KRWDZBQOSA-N 2 2 334.508 3.010 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001732039984 1428267796 /nfs/dbraw/zinc/26/77/96/1428267796.db2.gz AJMYGEQLGGXVCJ-KRWDZBQOSA-N 2 2 334.508 3.010 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699367715 1412673712 /nfs/dbraw/zinc/67/37/12/1412673712.db2.gz RTMKMXZRTXJCBG-CQSZACIVSA-N 2 2 348.450 3.348 20 0 EGADLP Cc1ccc(C[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CC2)cc1C ZINC001699657266 1413040126 /nfs/dbraw/zinc/04/01/26/1413040126.db2.gz DJHSRSWJSVSOLN-UHFFFAOYSA-N 2 2 348.450 3.003 20 0 EGADLP C[N@H+](CCCC(C)(C)C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001732551520 1428735123 /nfs/dbraw/zinc/73/51/23/1428735123.db2.gz ZVLHYDXMHUSLOJ-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001732551520 1428735125 /nfs/dbraw/zinc/73/51/25/1428735125.db2.gz ZVLHYDXMHUSLOJ-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CCC2)C1 ZINC001700137769 1413556261 /nfs/dbraw/zinc/55/62/61/1413556261.db2.gz SVHCRZMCBAAIOY-ZWKOTPCHSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001700190386 1413618109 /nfs/dbraw/zinc/61/81/09/1413618109.db2.gz OETBTWZXLAUVHD-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001700190386 1413618113 /nfs/dbraw/zinc/61/81/13/1413618113.db2.gz OETBTWZXLAUVHD-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001732593463 1428821799 /nfs/dbraw/zinc/82/17/99/1428821799.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001732593463 1428821805 /nfs/dbraw/zinc/82/18/05/1428821805.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001732593463 1428821810 /nfs/dbraw/zinc/82/18/10/1428821810.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001732593463 1428821813 /nfs/dbraw/zinc/82/18/13/1428821813.db2.gz ABLWJRUOOCYXFK-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700986954 1414629389 /nfs/dbraw/zinc/62/93/89/1414629389.db2.gz MWBFRKXBEYOAOT-KRWDZBQOSA-N 2 2 328.460 3.097 20 0 EGADLP CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001712996492 1417548133 /nfs/dbraw/zinc/54/81/33/1417548133.db2.gz LTWDXAAOORCLHJ-WBVHZDCISA-N 2 2 328.460 3.026 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001713000237 1417553810 /nfs/dbraw/zinc/55/38/10/1417553810.db2.gz QYFBQCPSBMXIJV-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001713000237 1417553814 /nfs/dbraw/zinc/55/38/14/1417553814.db2.gz QYFBQCPSBMXIJV-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109017 1418910138 /nfs/dbraw/zinc/91/01/38/1418910138.db2.gz FPGCQVQMMKZHDU-ZWKOTPCHSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109017 1418910139 /nfs/dbraw/zinc/91/01/39/1418910139.db2.gz FPGCQVQMMKZHDU-ZWKOTPCHSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001714312109 1419093182 /nfs/dbraw/zinc/09/31/82/1419093182.db2.gz YKGYTBIKNMROEK-BHIYHBOVSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(C)C)cc1 ZINC001714832404 1419543064 /nfs/dbraw/zinc/54/30/64/1419543064.db2.gz JZYGXGXQWZSUET-IBGZPJMESA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(C)C)cc1 ZINC001714832404 1419543067 /nfs/dbraw/zinc/54/30/67/1419543067.db2.gz JZYGXGXQWZSUET-IBGZPJMESA-N 2 2 342.487 3.321 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714856487 1419572909 /nfs/dbraw/zinc/57/29/09/1419572909.db2.gz QITOORXEJXKRIQ-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001714856487 1419572911 /nfs/dbraw/zinc/57/29/11/1419572911.db2.gz QITOORXEJXKRIQ-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714856487 1419572914 /nfs/dbraw/zinc/57/29/14/1419572914.db2.gz QITOORXEJXKRIQ-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001714856487 1419572916 /nfs/dbraw/zinc/57/29/16/1419572916.db2.gz QITOORXEJXKRIQ-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001715959872 1420426570 /nfs/dbraw/zinc/42/65/70/1420426570.db2.gz YYMPPXIFHDZOSE-HZPDHXFCSA-N 2 2 346.450 3.125 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001715959872 1420426572 /nfs/dbraw/zinc/42/65/72/1420426572.db2.gz YYMPPXIFHDZOSE-HZPDHXFCSA-N 2 2 346.450 3.125 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CCc2ccccc2)c(C)[nH+]1 ZINC001716488299 1420708751 /nfs/dbraw/zinc/70/87/51/1420708751.db2.gz KDACPAKREKUPCV-QGZVFWFLSA-N 2 2 339.483 3.300 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CCc2ccccc2)c(C)[nH+]1 ZINC001716488299 1420708754 /nfs/dbraw/zinc/70/87/54/1420708754.db2.gz KDACPAKREKUPCV-QGZVFWFLSA-N 2 2 339.483 3.300 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001716798176 1420931331 /nfs/dbraw/zinc/93/13/31/1420931331.db2.gz KGSIPCPHCCEHOK-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001716798176 1420931332 /nfs/dbraw/zinc/93/13/32/1420931332.db2.gz KGSIPCPHCCEHOK-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001733278862 1429448068 /nfs/dbraw/zinc/44/80/68/1429448068.db2.gz YZZQTAFIZPCSNA-UHFFFAOYSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001733278862 1429448071 /nfs/dbraw/zinc/44/80/71/1429448071.db2.gz YZZQTAFIZPCSNA-UHFFFAOYSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001733278862 1429448076 /nfs/dbraw/zinc/44/80/76/1429448076.db2.gz YZZQTAFIZPCSNA-UHFFFAOYSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001733278862 1429448079 /nfs/dbraw/zinc/44/80/79/1429448079.db2.gz YZZQTAFIZPCSNA-UHFFFAOYSA-N 2 2 334.508 3.139 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001717115146 1421118969 /nfs/dbraw/zinc/11/89/69/1421118969.db2.gz JJIADHJFWRDUIR-MRXNPFEDSA-N 2 2 348.450 3.119 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325032 1424812662 /nfs/dbraw/zinc/81/26/62/1424812662.db2.gz UDCWXVZRARQTMJ-FXAWDEMLSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325032 1424812671 /nfs/dbraw/zinc/81/26/71/1424812671.db2.gz UDCWXVZRARQTMJ-FXAWDEMLSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325032 1424812680 /nfs/dbraw/zinc/81/26/80/1424812680.db2.gz UDCWXVZRARQTMJ-FXAWDEMLSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325032 1424812684 /nfs/dbraw/zinc/81/26/84/1424812684.db2.gz UDCWXVZRARQTMJ-FXAWDEMLSA-N 2 2 348.535 3.243 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001724979028 1425379909 /nfs/dbraw/zinc/37/99/09/1425379909.db2.gz KDFDSXJLFNQWLS-GOSISDBHSA-N 2 2 348.535 3.316 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001724979028 1425379912 /nfs/dbraw/zinc/37/99/12/1425379912.db2.gz KDFDSXJLFNQWLS-GOSISDBHSA-N 2 2 348.535 3.316 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)[C@H](C)c1ccccc1 ZINC001725176416 1425693595 /nfs/dbraw/zinc/69/35/95/1425693595.db2.gz PDBHJQDPLPDKEP-HZPDHXFCSA-N 2 2 336.439 3.146 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001725176416 1425693600 /nfs/dbraw/zinc/69/36/00/1425693600.db2.gz PDBHJQDPLPDKEP-HZPDHXFCSA-N 2 2 336.439 3.146 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001725503332 1426184610 /nfs/dbraw/zinc/18/46/10/1426184610.db2.gz XIOCOAXYGUTUBZ-KRWDZBQOSA-N 2 2 342.487 3.033 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001731603113 1427647099 /nfs/dbraw/zinc/64/70/99/1427647099.db2.gz YVWUHHRBDMFIKJ-PBHICJAKSA-N 2 2 336.439 3.422 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cs1 ZINC001731605606 1427650283 /nfs/dbraw/zinc/65/02/83/1427650283.db2.gz HFKMADORBOUADL-CYBMUJFWSA-N 2 2 331.485 3.285 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001733923865 1437737366 /nfs/dbraw/zinc/73/73/66/1437737366.db2.gz QJFYEYHOLWDSJI-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC[C@H]([NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1)c1ccccc1 ZINC001734599175 1438181922 /nfs/dbraw/zinc/18/19/22/1438181922.db2.gz QRQPSXGBVITTBH-ACBHZAAOSA-N 2 2 340.471 3.004 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001752156435 1440147233 /nfs/dbraw/zinc/14/72/33/1440147233.db2.gz JXUVMDDWSQEWAH-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001752473109 1440184766 /nfs/dbraw/zinc/18/47/66/1440184766.db2.gz IYIPNFVSBZJLRU-NVXWUHKLSA-N 2 2 342.487 3.115 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752974001 1440255636 /nfs/dbraw/zinc/25/56/36/1440255636.db2.gz PBQVCFUDCKKGQW-IRXDYDNUSA-N 2 2 342.487 3.401 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753127833 1440315523 /nfs/dbraw/zinc/31/55/23/1440315523.db2.gz WGGOLNQAYXFDCK-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753127833 1440315524 /nfs/dbraw/zinc/31/55/24/1440315524.db2.gz WGGOLNQAYXFDCK-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753127833 1440315525 /nfs/dbraw/zinc/31/55/25/1440315525.db2.gz WGGOLNQAYXFDCK-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753127833 1440315526 /nfs/dbraw/zinc/31/55/26/1440315526.db2.gz WGGOLNQAYXFDCK-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CC2CCC(C)(C)CC2)c[nH+]1 ZINC001753203599 1440338581 /nfs/dbraw/zinc/33/85/81/1440338581.db2.gz SNIGMDLTZOXHFV-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP CC(C)C[C@H](C(=O)NC1C[NH+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001753379984 1440387686 /nfs/dbraw/zinc/38/76/86/1440387686.db2.gz MJXLSNPAWISCQD-LJQANCHMSA-N 2 2 346.519 3.241 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCC1 ZINC001753506066 1440424523 /nfs/dbraw/zinc/42/45/23/1440424523.db2.gz LYNOPFAEZGDLHC-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)(C)CC[NH2+]Cc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001753589828 1440442446 /nfs/dbraw/zinc/44/24/46/1440442446.db2.gz OVDHRAAHYHNLLF-UHFFFAOYSA-N 2 2 342.487 3.115 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001753757011 1440483263 /nfs/dbraw/zinc/48/32/63/1440483263.db2.gz LXVBJJHWZFOBLD-SJORKVTESA-N 2 2 342.487 3.211 20 0 EGADLP C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753797273 1440490129 /nfs/dbraw/zinc/49/01/29/1440490129.db2.gz SCQOHEOHKVLEFZ-VTUYONSCSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753975792 1440527556 /nfs/dbraw/zinc/52/75/56/1440527556.db2.gz MIBZWLPDRPCOEX-IFXJQAMLSA-N 2 2 348.450 3.348 20 0 EGADLP CC(C)(C)CCC[NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21 ZINC001754149116 1440544878 /nfs/dbraw/zinc/54/48/78/1440544878.db2.gz VDEGRMSUSBWZQM-PLNGDYQASA-N 2 2 328.460 3.036 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCCC3CCC3)CC2)c(C)[nH+]1 ZINC001754520898 1440619706 /nfs/dbraw/zinc/61/97/06/1440619706.db2.gz KARZHWNEEOFRSS-UHFFFAOYSA-N 2 2 329.488 3.439 20 0 EGADLP CCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001754560859 1440633681 /nfs/dbraw/zinc/63/36/81/1440633681.db2.gz YCGXUIDEQARYTI-GOSISDBHSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673507 1440659038 /nfs/dbraw/zinc/65/90/38/1440659038.db2.gz BLBCSVMWUBHOGC-AZUAARDMSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673507 1440659039 /nfs/dbraw/zinc/65/90/39/1440659039.db2.gz BLBCSVMWUBHOGC-AZUAARDMSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673507 1440659040 /nfs/dbraw/zinc/65/90/40/1440659040.db2.gz BLBCSVMWUBHOGC-AZUAARDMSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673507 1440659041 /nfs/dbraw/zinc/65/90/41/1440659041.db2.gz BLBCSVMWUBHOGC-AZUAARDMSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732654 1440680558 /nfs/dbraw/zinc/68/05/58/1440680558.db2.gz ZNKBMEBORFOXMP-OXJNMPFZSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732654 1440680559 /nfs/dbraw/zinc/68/05/59/1440680559.db2.gz ZNKBMEBORFOXMP-OXJNMPFZSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732654 1440680560 /nfs/dbraw/zinc/68/05/60/1440680560.db2.gz ZNKBMEBORFOXMP-OXJNMPFZSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732654 1440680561 /nfs/dbraw/zinc/68/05/61/1440680561.db2.gz ZNKBMEBORFOXMP-OXJNMPFZSA-N 2 2 348.535 3.243 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001755165004 1440766744 /nfs/dbraw/zinc/76/67/44/1440766744.db2.gz CSLKWSXTUBMARS-SJLPKXTDSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001755165004 1440766745 /nfs/dbraw/zinc/76/67/45/1440766745.db2.gz CSLKWSXTUBMARS-SJLPKXTDSA-N 2 2 334.508 3.069 20 0 EGADLP CC[N@H+](C[C@H](C)CC(C)C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755185183 1440772947 /nfs/dbraw/zinc/77/29/47/1440772947.db2.gz XIQVRHZOHNQHJF-GOSISDBHSA-N 2 2 348.535 3.126 20 0 EGADLP CC[N@@H+](C[C@H](C)CC(C)C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755185183 1440772948 /nfs/dbraw/zinc/77/29/48/1440772948.db2.gz XIQVRHZOHNQHJF-GOSISDBHSA-N 2 2 348.535 3.126 20 0 EGADLP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530601 1440867086 /nfs/dbraw/zinc/86/70/86/1440867086.db2.gz JOGJUBQGTJMLMH-HKUYNNGSSA-N 2 2 348.535 3.439 20 0 EGADLP CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530601 1440867087 /nfs/dbraw/zinc/86/70/87/1440867087.db2.gz JOGJUBQGTJMLMH-HKUYNNGSSA-N 2 2 348.535 3.439 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001755657344 1440892203 /nfs/dbraw/zinc/89/22/03/1440892203.db2.gz BYWPQAJQBLZTPS-SDKBWNRFSA-N 2 2 340.471 3.273 20 0 EGADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001755757266 1440914383 /nfs/dbraw/zinc/91/43/83/1440914383.db2.gz LSXAVCDSUYNWKO-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001755757266 1440914384 /nfs/dbraw/zinc/91/43/84/1440914384.db2.gz LSXAVCDSUYNWKO-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001755845891 1440933317 /nfs/dbraw/zinc/93/33/17/1440933317.db2.gz DAYXFUCADOGMGT-OAHLLOKOSA-N 2 2 346.519 3.058 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000368351239 168344886 /nfs/dbraw/zinc/34/48/86/168344886.db2.gz CNDVOZAFITUCLW-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000368351239 168344888 /nfs/dbraw/zinc/34/48/88/168344888.db2.gz CNDVOZAFITUCLW-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)co2)cc1 ZINC000368351239 168344889 /nfs/dbraw/zinc/34/48/89/168344889.db2.gz CNDVOZAFITUCLW-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)co2)cc1 ZINC000368351239 168344892 /nfs/dbraw/zinc/34/48/92/168344892.db2.gz CNDVOZAFITUCLW-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354237 168346070 /nfs/dbraw/zinc/34/60/70/168346070.db2.gz HKRYEHQLIUCPAR-UZLBHIALSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354237 168346072 /nfs/dbraw/zinc/34/60/72/168346072.db2.gz HKRYEHQLIUCPAR-UZLBHIALSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354237 168346073 /nfs/dbraw/zinc/34/60/73/168346073.db2.gz HKRYEHQLIUCPAR-UZLBHIALSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354237 168346074 /nfs/dbraw/zinc/34/60/74/168346074.db2.gz HKRYEHQLIUCPAR-UZLBHIALSA-N 2 2 340.471 3.442 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000368578093 168376729 /nfs/dbraw/zinc/37/67/29/168376729.db2.gz ZJPRFTYFZCRQOL-HKUYNNGSSA-N 2 2 333.520 3.334 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000368578093 168376730 /nfs/dbraw/zinc/37/67/30/168376730.db2.gz ZJPRFTYFZCRQOL-HKUYNNGSSA-N 2 2 333.520 3.334 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174350311 231185383 /nfs/dbraw/zinc/18/53/83/231185383.db2.gz BERBASCDWGTUKK-KRWDZBQOSA-N 3 2 326.488 3.082 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000175080225 231380900 /nfs/dbraw/zinc/38/09/00/231380900.db2.gz NSRXIKXLKSIQRQ-UHFFFAOYSA-N 2 2 346.519 3.132 20 0 EGADLP CCn1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000177968606 232044124 /nfs/dbraw/zinc/04/41/24/232044124.db2.gz SZPIMMQMTOLZNH-KRWDZBQOSA-N 2 2 326.488 3.261 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000177968592 232044338 /nfs/dbraw/zinc/04/43/38/232044338.db2.gz SZPIMMQMTOLZNH-QGZVFWFLSA-N 2 2 326.488 3.261 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000102421604 219202802 /nfs/dbraw/zinc/20/28/02/219202802.db2.gz CLVHKQYSIARBCG-ZAVKOYKVSA-N 2 2 336.479 3.099 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000102421604 219202803 /nfs/dbraw/zinc/20/28/03/219202803.db2.gz CLVHKQYSIARBCG-ZAVKOYKVSA-N 2 2 336.479 3.099 20 0 EGADLP CCc1cc(NC2CC[NH+](C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068660643 215324484 /nfs/dbraw/zinc/32/44/84/215324484.db2.gz XGVWRTSSQWZZMH-UHFFFAOYSA-N 2 2 325.460 3.386 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129386601 223051301 /nfs/dbraw/zinc/05/13/01/223051301.db2.gz PDSKPGVXYNXSSG-BMGDILEWSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129386601 223051302 /nfs/dbraw/zinc/05/13/02/223051302.db2.gz PDSKPGVXYNXSSG-BMGDILEWSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193950849 240376967 /nfs/dbraw/zinc/37/69/67/240376967.db2.gz VTBXWVSSMFPORV-ATZDWAIDSA-N 2 2 325.456 3.282 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000371337070 242034874 /nfs/dbraw/zinc/03/48/74/242034874.db2.gz SGMRTEIXSACGCM-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000371337070 242034881 /nfs/dbraw/zinc/03/48/81/242034881.db2.gz SGMRTEIXSACGCM-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000078673828 217099705 /nfs/dbraw/zinc/09/97/05/217099705.db2.gz VHGQHGVANCNLNC-MRXNPFEDSA-N 2 2 339.439 3.478 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Br ZINC000154508775 295208047 /nfs/dbraw/zinc/20/80/47/295208047.db2.gz WCMLVBWIQIYUJY-DGCLKSJQSA-N 2 2 327.266 3.203 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1F ZINC000378375492 169110079 /nfs/dbraw/zinc/11/00/79/169110079.db2.gz YMUKPTQCCPWZIK-BMFZPTHFSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1F ZINC000378375492 169110082 /nfs/dbraw/zinc/11/00/82/169110082.db2.gz YMUKPTQCCPWZIK-BMFZPTHFSA-N 2 2 326.843 3.163 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000360968456 284686084 /nfs/dbraw/zinc/68/60/84/284686084.db2.gz KFBFEMDMJPBLIE-UFYCRDLUSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000092165454 218124935 /nfs/dbraw/zinc/12/49/35/218124935.db2.gz CCIXYLHJXFNDKQ-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000092165454 218124938 /nfs/dbraw/zinc/12/49/38/218124938.db2.gz CCIXYLHJXFNDKQ-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253582 218131040 /nfs/dbraw/zinc/13/10/40/218131040.db2.gz MSYBPUWYBJPYQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253582 218131042 /nfs/dbraw/zinc/13/10/42/218131042.db2.gz MSYBPUWYBJPYQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000092253582 218131044 /nfs/dbraw/zinc/13/10/44/218131044.db2.gz MSYBPUWYBJPYQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092253582 218131047 /nfs/dbraw/zinc/13/10/47/218131047.db2.gz MSYBPUWYBJPYQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000093132854 218197005 /nfs/dbraw/zinc/19/70/05/218197005.db2.gz WVNBPQPXUNMCDH-QGZVFWFLSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000093132854 218197008 /nfs/dbraw/zinc/19/70/08/218197008.db2.gz WVNBPQPXUNMCDH-QGZVFWFLSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093692898 218242724 /nfs/dbraw/zinc/24/27/24/218242724.db2.gz QDCRJZRJTHUSFV-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093692898 218242726 /nfs/dbraw/zinc/24/27/26/218242726.db2.gz QDCRJZRJTHUSFV-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000093665413 218240400 /nfs/dbraw/zinc/24/04/00/218240400.db2.gz NQZQAIJKKGIHHP-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000093665413 218240402 /nfs/dbraw/zinc/24/04/02/218240402.db2.gz NQZQAIJKKGIHHP-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093693308 218241691 /nfs/dbraw/zinc/24/16/91/218241691.db2.gz UMIVYRCTGXCCQN-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093693308 218241693 /nfs/dbraw/zinc/24/16/93/218241693.db2.gz UMIVYRCTGXCCQN-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095423047 218365276 /nfs/dbraw/zinc/36/52/76/218365276.db2.gz TXFIRYLMQQTCSD-RDTXWAMCSA-N 2 2 327.453 3.492 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000268752872 252203592 /nfs/dbraw/zinc/20/35/92/252203592.db2.gz YFZJFHFZBSQFMH-OAHLLOKOSA-N 2 2 327.476 3.019 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Cl)c1 ZINC000268794374 252245339 /nfs/dbraw/zinc/24/53/39/252245339.db2.gz FDEHAGQOIKHYAQ-QWHCGFSZSA-N 2 2 344.850 3.165 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000268816195 252267901 /nfs/dbraw/zinc/26/79/01/252267901.db2.gz NQXKZQBHAPJXKX-GFCCVEGCSA-N 2 2 344.850 3.085 20 0 EGADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268844395 252291510 /nfs/dbraw/zinc/29/15/10/252291510.db2.gz BHOSGQZECKIAOO-YJBOKZPZSA-N 2 2 349.544 3.178 20 0 EGADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268844395 252291514 /nfs/dbraw/zinc/29/15/14/252291514.db2.gz BHOSGQZECKIAOO-YJBOKZPZSA-N 2 2 349.544 3.178 20 0 EGADLP Brc1csc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000172649943 532982117 /nfs/dbraw/zinc/98/21/17/532982117.db2.gz UHOBCPNVPMXNHR-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1csc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000172649943 532982124 /nfs/dbraw/zinc/98/21/24/532982124.db2.gz UHOBCPNVPMXNHR-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173620526 532982758 /nfs/dbraw/zinc/98/27/58/532982758.db2.gz YWBMZHNSSIVGCO-AWEZNQCLSA-N 2 2 335.517 3.198 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000187287878 533185455 /nfs/dbraw/zinc/18/54/55/533185455.db2.gz JOHIRUGUXAZJDB-DNVCBOLYSA-N 2 2 337.467 3.472 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000187287878 533185457 /nfs/dbraw/zinc/18/54/57/533185457.db2.gz JOHIRUGUXAZJDB-DNVCBOLYSA-N 2 2 337.467 3.472 20 0 EGADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000118868575 221198965 /nfs/dbraw/zinc/19/89/65/221198965.db2.gz QZJRXQXJHUCUAI-UHFFFAOYSA-N 2 2 341.858 3.081 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000119424642 221316842 /nfs/dbraw/zinc/31/68/42/221316842.db2.gz FTKKJIUAGCKBKD-ZDUSSCGKSA-N 2 2 330.457 3.020 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc[nH+]1 ZINC000119424642 221316845 /nfs/dbraw/zinc/31/68/45/221316845.db2.gz FTKKJIUAGCKBKD-ZDUSSCGKSA-N 2 2 330.457 3.020 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCCO2 ZINC000130558581 533298373 /nfs/dbraw/zinc/29/83/73/533298373.db2.gz QJPVSIRTLICKTB-GOSISDBHSA-N 2 2 337.423 3.389 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246750808 141031578 /nfs/dbraw/zinc/03/15/78/141031578.db2.gz FVBKTFVNWANHJA-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246750808 141031583 /nfs/dbraw/zinc/03/15/83/141031583.db2.gz FVBKTFVNWANHJA-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000246750808 141031586 /nfs/dbraw/zinc/03/15/86/141031586.db2.gz FVBKTFVNWANHJA-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000246750808 141031590 /nfs/dbraw/zinc/03/15/90/141031590.db2.gz FVBKTFVNWANHJA-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP COCC[C@@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000338360300 141107467 /nfs/dbraw/zinc/10/74/67/141107467.db2.gz PSYJYXUOBYJUMM-QFBILLFUSA-N 2 2 347.503 3.055 20 0 EGADLP COC1CC[NH+](C2(C[NH2+]CCCc3c[nH+]ccc3C)CCCC2)CC1 ZINC000348038737 141235257 /nfs/dbraw/zinc/23/52/57/141235257.db2.gz JGOVCXSKGZRPKD-UHFFFAOYSA-N 3 2 345.531 3.336 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000353357193 141294440 /nfs/dbraw/zinc/29/44/40/141294440.db2.gz WXARPIZGROXQIA-PIKOESSRSA-N 2 2 348.531 3.224 20 0 EGADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000353357193 141294441 /nfs/dbraw/zinc/29/44/41/141294441.db2.gz WXARPIZGROXQIA-PIKOESSRSA-N 2 2 348.531 3.224 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000353438777 141295175 /nfs/dbraw/zinc/29/51/75/141295175.db2.gz VPGBRBFDROWNJK-FQEVSTJZSA-N 2 2 325.456 3.059 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000353453569 141299124 /nfs/dbraw/zinc/29/91/24/141299124.db2.gz RVXVZEJRSVKPRK-RHSMWYFYSA-N 2 2 326.444 3.403 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(c3nnc4n3CCCC4)CC2)c[nH+]1 ZINC000354594381 141312115 /nfs/dbraw/zinc/31/21/15/141312115.db2.gz BKPCVROKGJUNDM-UHFFFAOYSA-N 2 2 339.487 3.130 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000354636336 141317915 /nfs/dbraw/zinc/31/79/15/141317915.db2.gz SGNYHBLJXSGWSD-GJZGRUSLSA-N 2 2 334.460 3.199 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000354636336 141317916 /nfs/dbraw/zinc/31/79/16/141317916.db2.gz SGNYHBLJXSGWSD-GJZGRUSLSA-N 2 2 334.460 3.199 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000184732944 144098468 /nfs/dbraw/zinc/09/84/68/144098468.db2.gz GWQXVDAEAODMDZ-AWEZNQCLSA-N 2 2 343.862 3.176 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000184732944 144098470 /nfs/dbraw/zinc/09/84/70/144098470.db2.gz GWQXVDAEAODMDZ-AWEZNQCLSA-N 2 2 343.862 3.176 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734368 144118058 /nfs/dbraw/zinc/11/80/58/144118058.db2.gz STWDLJGGOGSLIX-NVXWUHKLSA-N 2 2 340.471 3.479 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734368 144118061 /nfs/dbraw/zinc/11/80/61/144118061.db2.gz STWDLJGGOGSLIX-NVXWUHKLSA-N 2 2 340.471 3.479 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@@H+]1C ZINC000344624500 144201145 /nfs/dbraw/zinc/20/11/45/144201145.db2.gz IXUGBKKYTPRGDI-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624500 144201146 /nfs/dbraw/zinc/20/11/46/144201146.db2.gz IXUGBKKYTPRGDI-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908041 144240789 /nfs/dbraw/zinc/24/07/89/144240789.db2.gz YKMPMMPOEDGVGY-OXQOHEQNSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908041 144240791 /nfs/dbraw/zinc/24/07/91/144240791.db2.gz YKMPMMPOEDGVGY-OXQOHEQNSA-N 2 2 337.467 3.233 20 0 EGADLP Cn1c[nH+]cc1CNc1[nH+]ccn1Cc1ccc(Br)cc1 ZINC000351565139 144280442 /nfs/dbraw/zinc/28/04/42/144280442.db2.gz BOIAVSYYKSSMMH-UHFFFAOYSA-N 2 2 346.232 3.040 20 0 EGADLP Brc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351570666 144281686 /nfs/dbraw/zinc/28/16/86/144281686.db2.gz ZSKGODCGCSMKFO-UHFFFAOYSA-N 2 2 343.228 3.123 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351715253 144295328 /nfs/dbraw/zinc/29/53/28/144295328.db2.gz IERCKCNJOJFMLO-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351715253 144295329 /nfs/dbraw/zinc/29/53/29/144295329.db2.gz IERCKCNJOJFMLO-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351715253 144295330 /nfs/dbraw/zinc/29/53/30/144295330.db2.gz IERCKCNJOJFMLO-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351715253 144295331 /nfs/dbraw/zinc/29/53/31/144295331.db2.gz IERCKCNJOJFMLO-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000351758905 144302952 /nfs/dbraw/zinc/30/29/52/144302952.db2.gz LEELJTCDYIXYIK-GOSISDBHSA-N 2 2 327.472 3.451 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847529 144316023 /nfs/dbraw/zinc/31/60/23/144316023.db2.gz AEMZAPSCIWNONL-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847529 144316025 /nfs/dbraw/zinc/31/60/25/144316025.db2.gz AEMZAPSCIWNONL-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851759 144316436 /nfs/dbraw/zinc/31/64/36/144316436.db2.gz MEGHROGJGMFLKD-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851759 144316438 /nfs/dbraw/zinc/31/64/38/144316438.db2.gz MEGHROGJGMFLKD-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP c1ccc(COC2CC([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000361671354 144347813 /nfs/dbraw/zinc/34/78/13/144347813.db2.gz BOIVAENMWNOHGP-UHFFFAOYSA-N 2 2 337.467 3.388 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000361678939 144349088 /nfs/dbraw/zinc/34/90/88/144349088.db2.gz RXQWTIFNIBBQBR-GBESFXJTSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000361678939 144349090 /nfs/dbraw/zinc/34/90/90/144349090.db2.gz RXQWTIFNIBBQBR-GBESFXJTSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000361678939 144349091 /nfs/dbraw/zinc/34/90/91/144349091.db2.gz RXQWTIFNIBBQBR-GBESFXJTSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000361678939 144349093 /nfs/dbraw/zinc/34/90/93/144349093.db2.gz RXQWTIFNIBBQBR-GBESFXJTSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000363755894 144362676 /nfs/dbraw/zinc/36/26/76/144362676.db2.gz GLGGQFQPYAIURX-NVXWUHKLSA-N 2 2 340.471 3.384 20 0 EGADLP CC[N@@H+]1CCCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)CC1 ZINC000115376506 152009872 /nfs/dbraw/zinc/00/98/72/152009872.db2.gz NNDOZLDSVPTMPY-UHFFFAOYSA-N 2 2 339.439 3.350 20 0 EGADLP CC[N@H+]1CCCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)CC1 ZINC000115376506 152009880 /nfs/dbraw/zinc/00/98/80/152009880.db2.gz NNDOZLDSVPTMPY-UHFFFAOYSA-N 2 2 339.439 3.350 20 0 EGADLP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(OC)c1OC ZINC000153393881 286302587 /nfs/dbraw/zinc/30/25/87/286302587.db2.gz OZZVKIANVIOXLU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(OC)c1OC ZINC000153393881 286302589 /nfs/dbraw/zinc/30/25/89/286302589.db2.gz OZZVKIANVIOXLU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(OC)c1OC ZINC000153393881 286302590 /nfs/dbraw/zinc/30/25/90/286302590.db2.gz OZZVKIANVIOXLU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(OC)c1OC ZINC000153393881 286302591 /nfs/dbraw/zinc/30/25/91/286302591.db2.gz OZZVKIANVIOXLU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119935569 152238777 /nfs/dbraw/zinc/23/87/77/152238777.db2.gz IEPAARMBQWLQRR-UWJYYQICSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119935569 152238778 /nfs/dbraw/zinc/23/87/78/152238778.db2.gz IEPAARMBQWLQRR-UWJYYQICSA-N 2 2 338.499 3.148 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000120672374 152291641 /nfs/dbraw/zinc/29/16/41/152291641.db2.gz DEKSIJKSTSGGJT-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP C[N@H+](CCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000120788413 152300531 /nfs/dbraw/zinc/30/05/31/152300531.db2.gz YZRAZVZCRGFZST-UHFFFAOYSA-N 3 2 344.547 3.290 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194042435 153318908 /nfs/dbraw/zinc/31/89/08/153318908.db2.gz YFGQRJMZOLQWEE-UAFMIMERSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194042435 153318914 /nfs/dbraw/zinc/31/89/14/153318914.db2.gz YFGQRJMZOLQWEE-UAFMIMERSA-N 2 2 326.484 3.198 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000305181461 154089441 /nfs/dbraw/zinc/08/94/41/154089441.db2.gz WHVFVCKBOSFDBZ-FCLVOEFKSA-N 2 2 332.488 3.261 20 0 EGADLP COc1ccncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311095621 154146098 /nfs/dbraw/zinc/14/60/98/154146098.db2.gz ZTHHXUVAJYAZOL-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311095621 154146104 /nfs/dbraw/zinc/14/61/04/154146104.db2.gz ZTHHXUVAJYAZOL-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311095621 154146107 /nfs/dbraw/zinc/14/61/07/154146107.db2.gz ZTHHXUVAJYAZOL-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311095621 154146110 /nfs/dbraw/zinc/14/61/10/154146110.db2.gz ZTHHXUVAJYAZOL-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1[nH+]cc(CNC[C@H](C(C)C)[NH+]2CCCC2)n1-c1ccccc1 ZINC000336876560 154225929 /nfs/dbraw/zinc/22/59/29/154225929.db2.gz GYKBQHOUOHJLFZ-HXUWFJFHSA-N 2 2 326.488 3.391 20 0 EGADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[NH+]1CCOCC1 ZINC000337331076 154288671 /nfs/dbraw/zinc/28/86/71/154288671.db2.gz HBJMSMITGAITOA-SQFISAMPSA-N 2 2 342.405 3.421 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000337458942 154363339 /nfs/dbraw/zinc/36/33/39/154363339.db2.gz QCMGSIWOJFVDJU-IEBWSBKVSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000337458942 154363343 /nfs/dbraw/zinc/36/33/43/154363343.db2.gz QCMGSIWOJFVDJU-IEBWSBKVSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000337458942 154363346 /nfs/dbraw/zinc/36/33/46/154363346.db2.gz QCMGSIWOJFVDJU-IEBWSBKVSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000337458942 154363349 /nfs/dbraw/zinc/36/33/49/154363349.db2.gz QCMGSIWOJFVDJU-IEBWSBKVSA-N 2 2 331.504 3.012 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000337527786 154398338 /nfs/dbraw/zinc/39/83/38/154398338.db2.gz BNJDTQUYXICYGV-DLBZAZTESA-N 2 2 339.430 3.186 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000346875613 156173705 /nfs/dbraw/zinc/17/37/05/156173705.db2.gz LMFBEOSBKSUKHM-GOSISDBHSA-N 2 2 326.444 3.169 20 0 EGADLP CCC1(CC)[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C[C@@H]1OC ZINC000346927532 156200831 /nfs/dbraw/zinc/20/08/31/156200831.db2.gz BPGXCAJDQHDAKE-KSZLIROESA-N 2 2 346.519 3.228 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)c1OC(F)F ZINC000347001296 156238136 /nfs/dbraw/zinc/23/81/36/156238136.db2.gz HIMYWZCDXXIHNB-CYBMUJFWSA-N 2 2 328.403 3.118 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)c1OC(F)F ZINC000347001296 156238139 /nfs/dbraw/zinc/23/81/39/156238139.db2.gz HIMYWZCDXXIHNB-CYBMUJFWSA-N 2 2 328.403 3.118 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130665 157034291 /nfs/dbraw/zinc/03/42/91/157034291.db2.gz SDRWZEVDHJXJGQ-JKSUJKDBSA-N 2 2 339.549 3.493 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130665 157034294 /nfs/dbraw/zinc/03/42/94/157034294.db2.gz SDRWZEVDHJXJGQ-JKSUJKDBSA-N 2 2 339.549 3.493 20 0 EGADLP Cc1ccc2c(C)cc(NCc3ccc(-n4cc[nH+]c4)nc3)[nH+]c2c1 ZINC000368659518 157255177 /nfs/dbraw/zinc/25/51/77/157255177.db2.gz QSRPGNNLQUEQRN-UHFFFAOYSA-N 2 2 329.407 3.466 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093404546 162009089 /nfs/dbraw/zinc/00/90/89/162009089.db2.gz HRZDBRUWZWMMNQ-AWEZNQCLSA-N 2 2 337.533 3.173 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683435 162022652 /nfs/dbraw/zinc/02/26/52/162022652.db2.gz MVTFPSBMWCZNDQ-INIZCTEOSA-N 2 2 328.460 3.286 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683435 162022655 /nfs/dbraw/zinc/02/26/55/162022655.db2.gz MVTFPSBMWCZNDQ-INIZCTEOSA-N 2 2 328.460 3.286 20 0 EGADLP Clc1ccc(-c2nnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)cc1 ZINC000109795613 162111520 /nfs/dbraw/zinc/11/15/20/162111520.db2.gz MWVAWUJBLMMGEO-UHFFFAOYSA-N 2 2 343.818 3.424 20 0 EGADLP CC(C)c1nc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc[nH+]1 ZINC000110541749 162131163 /nfs/dbraw/zinc/13/11/63/162131163.db2.gz AQMKRYRWBHNFJJ-UHFFFAOYSA-N 2 2 340.471 3.169 20 0 EGADLP CCn1cc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000112095941 162163011 /nfs/dbraw/zinc/16/30/11/162163011.db2.gz NIIPNFGKROKCKY-FQEVSTJZSA-N 2 2 326.488 3.076 20 0 EGADLP CCn1cc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000112095941 162163014 /nfs/dbraw/zinc/16/30/14/162163014.db2.gz NIIPNFGKROKCKY-FQEVSTJZSA-N 2 2 326.488 3.076 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140525 162392369 /nfs/dbraw/zinc/39/23/69/162392369.db2.gz IHMQGAJMJUYQIK-RCBQFDQVSA-N 2 2 330.394 3.465 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131140525 162392374 /nfs/dbraw/zinc/39/23/74/162392374.db2.gz IHMQGAJMJUYQIK-RCBQFDQVSA-N 2 2 330.394 3.465 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337276792 163191126 /nfs/dbraw/zinc/19/11/26/163191126.db2.gz REFKLZSQFPIKHH-LJQANCHMSA-N 2 2 331.504 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337276792 163191130 /nfs/dbraw/zinc/19/11/30/163191130.db2.gz REFKLZSQFPIKHH-LJQANCHMSA-N 2 2 331.504 3.062 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000338272740 163202568 /nfs/dbraw/zinc/20/25/68/163202568.db2.gz GATYJBBBVIPLSH-UHFFFAOYSA-N 2 2 332.451 3.332 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[C@@H](C)O1 ZINC000338774955 163345168 /nfs/dbraw/zinc/34/51/68/163345168.db2.gz MHTHCCKOABDUQK-NEYJZJCJSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[C@@H](C)O1 ZINC000338774955 163345170 /nfs/dbraw/zinc/34/51/70/163345170.db2.gz MHTHCCKOABDUQK-NEYJZJCJSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000338795288 163351163 /nfs/dbraw/zinc/35/11/63/163351163.db2.gz SOOYYKHQKCESAA-IRXDYDNUSA-N 2 2 331.504 3.229 20 0 EGADLP CCc1oc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938039 163393895 /nfs/dbraw/zinc/39/38/95/163393895.db2.gz ULYZVOGMVBBXNT-CABCVRRESA-N 2 2 348.487 3.371 20 0 EGADLP CCc1oc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938039 163393898 /nfs/dbraw/zinc/39/38/98/163393898.db2.gz ULYZVOGMVBBXNT-CABCVRRESA-N 2 2 348.487 3.371 20 0 EGADLP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000339081907 163457518 /nfs/dbraw/zinc/45/75/18/163457518.db2.gz NDPOUHZMYPAMET-HXUWFJFHSA-N 2 2 345.462 3.118 20 0 EGADLP CCc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)o2)cc1 ZINC000343694294 164014504 /nfs/dbraw/zinc/01/45/04/164014504.db2.gz OPWWKXVVBFTGAJ-GOSISDBHSA-N 2 2 328.456 3.055 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000344041041 164089553 /nfs/dbraw/zinc/08/95/53/164089553.db2.gz JFLVNCOYYVZLEW-NEPXVJNWSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000344041041 164089556 /nfs/dbraw/zinc/08/95/56/164089556.db2.gz JFLVNCOYYVZLEW-NEPXVJNWSA-N 2 2 332.488 3.074 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1C ZINC000354830021 166042902 /nfs/dbraw/zinc/04/29/02/166042902.db2.gz XOXJIZSEWXPXSS-GOSISDBHSA-N 2 2 347.503 3.176 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560330 164214897 /nfs/dbraw/zinc/21/48/97/164214897.db2.gz UITIZLDLGUUYDB-BWPNAZKDSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560330 164214902 /nfs/dbraw/zinc/21/49/02/164214902.db2.gz UITIZLDLGUUYDB-BWPNAZKDSA-N 2 2 349.563 3.218 20 0 EGADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000345946507 164302120 /nfs/dbraw/zinc/30/21/20/164302120.db2.gz GIMLYUYQRFOLID-HZPDHXFCSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000345946507 164302123 /nfs/dbraw/zinc/30/21/23/164302123.db2.gz GIMLYUYQRFOLID-HZPDHXFCSA-N 2 2 339.439 3.429 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306455 164366976 /nfs/dbraw/zinc/36/69/76/164366976.db2.gz DSCPYPKZXQVNDR-APWZRJJASA-N 2 2 338.455 3.185 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306455 164366979 /nfs/dbraw/zinc/36/69/79/164366979.db2.gz DSCPYPKZXQVNDR-APWZRJJASA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306455 164366981 /nfs/dbraw/zinc/36/69/81/164366981.db2.gz DSCPYPKZXQVNDR-APWZRJJASA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306455 164366983 /nfs/dbraw/zinc/36/69/83/164366983.db2.gz DSCPYPKZXQVNDR-APWZRJJASA-N 2 2 338.455 3.185 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346325791 164368641 /nfs/dbraw/zinc/36/86/41/164368641.db2.gz MBJHIABGMAAXIZ-KRWDZBQOSA-N 2 2 340.471 3.433 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346325791 164368642 /nfs/dbraw/zinc/36/86/42/164368642.db2.gz MBJHIABGMAAXIZ-KRWDZBQOSA-N 2 2 340.471 3.433 20 0 EGADLP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(F)c1F ZINC000346329444 164369178 /nfs/dbraw/zinc/36/91/78/164369178.db2.gz MUBOEHVUPZRNKC-UHFFFAOYSA-N 2 2 349.400 3.296 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCc1noc([C@@H]2CCCc3[nH+]ccn32)n1 ZINC000350424090 165048330 /nfs/dbraw/zinc/04/83/30/165048330.db2.gz YYYBFLTZSSMCOC-INIZCTEOSA-N 2 2 348.410 3.093 20 0 EGADLP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346329 165096378 /nfs/dbraw/zinc/09/63/78/165096378.db2.gz YRALDRPUAHPVIJ-UYAOXDASSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346329 165096383 /nfs/dbraw/zinc/09/63/83/165096383.db2.gz YRALDRPUAHPVIJ-UYAOXDASSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351346329 165096388 /nfs/dbraw/zinc/09/63/88/165096388.db2.gz YRALDRPUAHPVIJ-UYAOXDASSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351346329 165096392 /nfs/dbraw/zinc/09/63/92/165096392.db2.gz YRALDRPUAHPVIJ-UYAOXDASSA-N 2 2 332.488 3.067 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000351923703 165151573 /nfs/dbraw/zinc/15/15/73/165151573.db2.gz ZVMOTVKCIZOFKF-UHFFFAOYSA-N 2 2 330.407 3.221 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000351936734 165156513 /nfs/dbraw/zinc/15/65/13/165156513.db2.gz NPWHRTAAPCEISH-HNNXBMFYSA-N 2 2 328.416 3.250 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352072503 165220380 /nfs/dbraw/zinc/22/03/80/165220380.db2.gz WTMGTSWJBSRGLP-XPLIPZDOSA-N 2 2 346.515 3.325 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352072503 165220383 /nfs/dbraw/zinc/22/03/83/165220383.db2.gz WTMGTSWJBSRGLP-XPLIPZDOSA-N 2 2 346.515 3.325 20 0 EGADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355025994 166089036 /nfs/dbraw/zinc/08/90/36/166089036.db2.gz KTNZQRKPOSJPCZ-HXUWFJFHSA-N 2 2 339.483 3.495 20 0 EGADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355025994 166089038 /nfs/dbraw/zinc/08/90/38/166089038.db2.gz KTNZQRKPOSJPCZ-HXUWFJFHSA-N 2 2 339.483 3.495 20 0 EGADLP COc1ccc([C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)cc1 ZINC000352240849 165303787 /nfs/dbraw/zinc/30/37/87/165303787.db2.gz JNLMDURTZMDNFN-SFHVURJKSA-N 2 2 331.485 3.454 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)n2c1 ZINC000352334160 165349464 /nfs/dbraw/zinc/34/94/64/165349464.db2.gz YPGNHFOJDPRHRQ-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCc4c(cnn4-c4ccccc4)C3)n2c1 ZINC000352334160 165349468 /nfs/dbraw/zinc/34/94/68/165349468.db2.gz YPGNHFOJDPRHRQ-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP CCN(CCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058765 166095489 /nfs/dbraw/zinc/09/54/89/166095489.db2.gz ONOBSRUYJULEGU-HUUCEWRRSA-N 2 2 332.414 3.040 20 0 EGADLP CCN(CCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058765 166095492 /nfs/dbraw/zinc/09/54/92/166095492.db2.gz ONOBSRUYJULEGU-HUUCEWRRSA-N 2 2 332.414 3.040 20 0 EGADLP C[C@H]1CCSCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352406842 165385538 /nfs/dbraw/zinc/38/55/38/165385538.db2.gz NYNHEGOTEYQJNQ-SFHVURJKSA-N 2 2 333.545 3.026 20 0 EGADLP C[C@H]1CCSCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352406842 165385540 /nfs/dbraw/zinc/38/55/40/165385540.db2.gz NYNHEGOTEYQJNQ-SFHVURJKSA-N 2 2 333.545 3.026 20 0 EGADLP CCCCn1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)n1 ZINC000359321798 167125382 /nfs/dbraw/zinc/12/53/82/167125382.db2.gz GZKIJQKMRJSRLG-UHFFFAOYSA-N 2 2 341.503 3.141 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000359662069 167204386 /nfs/dbraw/zinc/20/43/86/167204386.db2.gz IVMJVNNJRUTMGG-KURKYZTESA-N 2 2 342.487 3.022 20 0 EGADLP CCOc1nnc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)s1 ZINC000359851715 167249884 /nfs/dbraw/zinc/24/98/84/167249884.db2.gz TYOSLHKCVVUOSV-UHFFFAOYSA-N 2 2 340.537 3.271 20 0 EGADLP Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1Oc1cc[nH+]cc1 ZINC000359900280 167262695 /nfs/dbraw/zinc/26/26/95/167262695.db2.gz YBMHXUPBYKDOGY-UHFFFAOYSA-N 2 2 339.439 3.398 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859747 167677233 /nfs/dbraw/zinc/67/72/33/167677233.db2.gz GWQWWHQKUYMVKY-AZUAARDMSA-N 2 2 341.455 3.392 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000366082990 168081016 /nfs/dbraw/zinc/08/10/16/168081016.db2.gz BWFFKBYYLZBHID-RLLQIKCJSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000366082990 168081018 /nfs/dbraw/zinc/08/10/18/168081018.db2.gz BWFFKBYYLZBHID-RLLQIKCJSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000366082990 168081019 /nfs/dbraw/zinc/08/10/19/168081019.db2.gz BWFFKBYYLZBHID-RLLQIKCJSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000366082990 168081021 /nfs/dbraw/zinc/08/10/21/168081021.db2.gz BWFFKBYYLZBHID-RLLQIKCJSA-N 2 2 344.547 3.002 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000366919447 168157011 /nfs/dbraw/zinc/15/70/11/168157011.db2.gz CPVPZTORJNYYTJ-AWEZNQCLSA-N 2 2 339.361 3.351 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437571 168225002 /nfs/dbraw/zinc/22/50/02/168225002.db2.gz IYDMGSSMSGVVCB-AWEZNQCLSA-N 2 2 327.428 3.059 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000367589670 168245634 /nfs/dbraw/zinc/24/56/34/168245634.db2.gz QFQIFZRKRNSBPF-IMJJTQAJSA-N 2 2 338.879 3.171 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000367589670 168245636 /nfs/dbraw/zinc/24/56/36/168245636.db2.gz QFQIFZRKRNSBPF-IMJJTQAJSA-N 2 2 338.879 3.171 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(OC(F)F)c1 ZINC000367698219 168259494 /nfs/dbraw/zinc/25/94/94/168259494.db2.gz DRUKNSSTYYFZBW-ZDUSSCGKSA-N 2 2 337.370 3.020 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(OC(F)F)c1 ZINC000367698219 168259496 /nfs/dbraw/zinc/25/94/96/168259496.db2.gz DRUKNSSTYYFZBW-ZDUSSCGKSA-N 2 2 337.370 3.020 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000367985227 168292209 /nfs/dbraw/zinc/29/22/09/168292209.db2.gz UXUDVLWQDRJVDX-CYBMUJFWSA-N 2 2 333.819 3.229 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000367985227 168292210 /nfs/dbraw/zinc/29/22/10/168292210.db2.gz UXUDVLWQDRJVDX-CYBMUJFWSA-N 2 2 333.819 3.229 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173960166 265014072 /nfs/dbraw/zinc/01/40/72/265014072.db2.gz ODNXSJABTCHIPF-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173960166 265014075 /nfs/dbraw/zinc/01/40/75/265014075.db2.gz ODNXSJABTCHIPF-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173960166 265014078 /nfs/dbraw/zinc/01/40/78/265014078.db2.gz ODNXSJABTCHIPF-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173960166 265014079 /nfs/dbraw/zinc/01/40/79/265014079.db2.gz ODNXSJABTCHIPF-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177484410 265257246 /nfs/dbraw/zinc/25/72/46/265257246.db2.gz AANWGFDWMLAQHZ-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000178329938 265308838 /nfs/dbraw/zinc/30/88/38/265308838.db2.gz UHZFPUWBVFYILW-WMLDXEAASA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000178329938 265308844 /nfs/dbraw/zinc/30/88/44/265308844.db2.gz UHZFPUWBVFYILW-WMLDXEAASA-N 2 2 342.430 3.295 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225066 265398478 /nfs/dbraw/zinc/39/84/78/265398478.db2.gz JHSZTAZYASDKBE-KRWDZBQOSA-N 2 2 332.488 3.416 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225066 265398480 /nfs/dbraw/zinc/39/84/80/265398480.db2.gz JHSZTAZYASDKBE-KRWDZBQOSA-N 2 2 332.488 3.416 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225066 265398482 /nfs/dbraw/zinc/39/84/82/265398482.db2.gz JHSZTAZYASDKBE-KRWDZBQOSA-N 2 2 332.488 3.416 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225066 265398484 /nfs/dbraw/zinc/39/84/84/265398484.db2.gz JHSZTAZYASDKBE-KRWDZBQOSA-N 2 2 332.488 3.416 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194362323 266110376 /nfs/dbraw/zinc/11/03/76/266110376.db2.gz BSRPJYWYJYJWQA-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194362323 266110378 /nfs/dbraw/zinc/11/03/78/266110378.db2.gz BSRPJYWYJYJWQA-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)Cn1cc[nH+]c1 ZINC000195250976 266169208 /nfs/dbraw/zinc/16/92/08/266169208.db2.gz IWGYAVYDMBQJNX-AWEZNQCLSA-N 2 2 329.835 3.148 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)[N@H+](C)C1CC1 ZINC000223234505 266196530 /nfs/dbraw/zinc/19/65/30/266196530.db2.gz XWDFRSOPEGMZBB-LRDDRELGSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)[N@@H+](C)C1CC1 ZINC000223234505 266196531 /nfs/dbraw/zinc/19/65/31/266196531.db2.gz XWDFRSOPEGMZBB-LRDDRELGSA-N 2 2 337.305 3.379 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230305897 266204468 /nfs/dbraw/zinc/20/44/68/266204468.db2.gz UWEQQRQNINJXHP-UHFFFAOYSA-N 2 2 335.236 3.405 20 0 EGADLP [NH3+]C[C@@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000238086643 266254535 /nfs/dbraw/zinc/25/45/35/266254535.db2.gz MGLAHFNLSQZWLH-ZDUSSCGKSA-N 2 2 345.830 3.338 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cc(Br)ncc1F)C[NH+]1CCCC1 ZINC000273875483 267131286 /nfs/dbraw/zinc/13/12/86/267131286.db2.gz PMJLJCVEAVAHEC-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000274432047 267235815 /nfs/dbraw/zinc/23/58/15/267235815.db2.gz KAWRWSQOEVKBPC-NEWSRXKRSA-N 2 2 328.456 3.346 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000274432047 267235817 /nfs/dbraw/zinc/23/58/17/267235817.db2.gz KAWRWSQOEVKBPC-NEWSRXKRSA-N 2 2 328.456 3.346 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278468910 268019821 /nfs/dbraw/zinc/01/98/21/268019821.db2.gz NNFIHDJLTVEBGN-VQIMIIECSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000278468910 268019824 /nfs/dbraw/zinc/01/98/24/268019824.db2.gz NNFIHDJLTVEBGN-VQIMIIECSA-N 2 2 329.488 3.035 20 0 EGADLP CCN(Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184800849 275213391 /nfs/dbraw/zinc/21/33/91/275213391.db2.gz RDWRJYOKGQUKTQ-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP CCN(Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184800849 275213393 /nfs/dbraw/zinc/21/33/93/275213393.db2.gz RDWRJYOKGQUKTQ-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP COc1ccc(OCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237430462 275231635 /nfs/dbraw/zinc/23/16/35/275231635.db2.gz LFWNCHIYUZAXST-IBGZPJMESA-N 2 2 340.467 3.328 20 0 EGADLP COc1ccc(OCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237430462 275231636 /nfs/dbraw/zinc/23/16/36/275231636.db2.gz LFWNCHIYUZAXST-IBGZPJMESA-N 2 2 340.467 3.328 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000266113918 275234966 /nfs/dbraw/zinc/23/49/66/275234966.db2.gz NJIQMIQPQZRFNK-GJZGRUSLSA-N 2 2 343.471 3.072 20 0 EGADLP CCCCc1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278756498 275271981 /nfs/dbraw/zinc/27/19/81/275271981.db2.gz BGTZIUKZKUMEFG-UHFFFAOYSA-N 2 2 343.475 3.325 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000278771794 275273408 /nfs/dbraw/zinc/27/34/08/275273408.db2.gz YTEMCQNXYBILDE-UHFFFAOYSA-N 2 2 339.439 3.180 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050935 275299390 /nfs/dbraw/zinc/29/93/90/275299390.db2.gz YBTMJUYGUDADMH-DOTOQJQBSA-N 3 2 335.455 3.290 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000279689989 275350170 /nfs/dbraw/zinc/35/01/70/275350170.db2.gz QSWSYJPHMVMTMF-UHFFFAOYSA-N 2 2 326.488 3.485 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000279689989 275350172 /nfs/dbraw/zinc/35/01/72/275350172.db2.gz QSWSYJPHMVMTMF-UHFFFAOYSA-N 2 2 326.488 3.485 20 0 EGADLP Clc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-n2cncn2)c1 ZINC000279734345 275354626 /nfs/dbraw/zinc/35/46/26/275354626.db2.gz WINWSULVWBVUBL-AWEZNQCLSA-N 2 2 342.834 3.023 20 0 EGADLP Clc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-n2cncn2)c1 ZINC000279734345 275354628 /nfs/dbraw/zinc/35/46/28/275354628.db2.gz WINWSULVWBVUBL-AWEZNQCLSA-N 2 2 342.834 3.023 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000279765872 275357481 /nfs/dbraw/zinc/35/74/81/275357481.db2.gz RVTJDWYYKBNAKO-HSALFYBXSA-N 2 2 337.467 3.369 20 0 EGADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280264776 275429263 /nfs/dbraw/zinc/42/92/63/275429263.db2.gz QCFMBROLOSPTLS-HUUCEWRRSA-N 2 2 342.487 3.285 20 0 EGADLP CCC(CC)(CNC(=O)C=Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000283936316 275762128 /nfs/dbraw/zinc/76/21/28/275762128.db2.gz KOQMJVKCKPBGLX-LPQFERQCSA-N 2 2 340.471 3.449 20 0 EGADLP CCc1nc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc(C)[nH+]1 ZINC000286141775 275956968 /nfs/dbraw/zinc/95/69/68/275956968.db2.gz HWBINBCZEYWQCI-OAHLLOKOSA-N 2 2 325.460 3.380 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000286387673 275992529 /nfs/dbraw/zinc/99/25/29/275992529.db2.gz OSGGSGHNXZTNET-ZIAGYGMSSA-N 2 2 331.847 3.188 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000287086027 276081581 /nfs/dbraw/zinc/08/15/81/276081581.db2.gz VQWSOBFBQGOXLF-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000287086027 276081582 /nfs/dbraw/zinc/08/15/82/276081582.db2.gz VQWSOBFBQGOXLF-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540447 276130634 /nfs/dbraw/zinc/13/06/34/276130634.db2.gz PHNFFZVSDOCKEM-HLIPFELVSA-N 2 2 339.483 3.479 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540447 276130635 /nfs/dbraw/zinc/13/06/35/276130635.db2.gz PHNFFZVSDOCKEM-HLIPFELVSA-N 2 2 339.483 3.479 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000288352490 276205224 /nfs/dbraw/zinc/20/52/24/276205224.db2.gz CGBUAQZCQKIEAA-KKSFZXQISA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000288352490 276205225 /nfs/dbraw/zinc/20/52/25/276205225.db2.gz CGBUAQZCQKIEAA-KKSFZXQISA-N 2 2 337.467 3.398 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000289166435 276299100 /nfs/dbraw/zinc/29/91/00/276299100.db2.gz DXBCPQOFQBYSEM-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000289288206 276316344 /nfs/dbraw/zinc/31/63/44/276316344.db2.gz ASUCSVALDCYUJV-CYBMUJFWSA-N 2 2 329.271 3.027 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000289288206 276316345 /nfs/dbraw/zinc/31/63/45/276316345.db2.gz ASUCSVALDCYUJV-CYBMUJFWSA-N 2 2 329.271 3.027 20 0 EGADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289488524 276346794 /nfs/dbraw/zinc/34/67/94/276346794.db2.gz YSYOQRFWWBHHOQ-IBGZPJMESA-N 2 2 340.423 3.148 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000289610453 276365937 /nfs/dbraw/zinc/36/59/37/276365937.db2.gz JJVYIUDGXSKTDC-ZDUSSCGKSA-N 2 2 346.500 3.109 20 0 EGADLP COC(=O)Nc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000290560611 276511923 /nfs/dbraw/zinc/51/19/23/276511923.db2.gz ZRAZRLUYJIXMRO-UHFFFAOYSA-N 2 2 327.428 3.333 20 0 EGADLP COCCOCc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000291095617 276588429 /nfs/dbraw/zinc/58/84/29/276588429.db2.gz YRXZAXWFTGRTHI-UHFFFAOYSA-N 2 2 328.456 3.275 20 0 EGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000367386184 277996797 /nfs/dbraw/zinc/99/67/97/277996797.db2.gz PVRSGCNEPFOEMQ-CZUORRHYSA-N 2 2 329.419 3.494 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000338743364 278043033 /nfs/dbraw/zinc/04/30/33/278043033.db2.gz IIHWYKQFWCBNJO-FQEVSTJZSA-N 2 2 325.456 3.474 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000338743364 278043034 /nfs/dbraw/zinc/04/30/34/278043034.db2.gz IIHWYKQFWCBNJO-FQEVSTJZSA-N 2 2 325.456 3.474 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157293679 278215413 /nfs/dbraw/zinc/21/54/13/278215413.db2.gz WHWYMWQAUOEJPL-YJBOKZPZSA-N 2 2 333.451 3.103 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157293679 278215414 /nfs/dbraw/zinc/21/54/14/278215414.db2.gz WHWYMWQAUOEJPL-YJBOKZPZSA-N 2 2 333.451 3.103 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2)C1 ZINC000189874139 533691231 /nfs/dbraw/zinc/69/12/31/533691231.db2.gz YRRKSPFGVQSOAL-MRXNPFEDSA-N 2 2 340.471 3.223 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2)C1 ZINC000189874139 533691246 /nfs/dbraw/zinc/69/12/46/533691246.db2.gz YRRKSPFGVQSOAL-MRXNPFEDSA-N 2 2 340.471 3.223 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104906 /nfs/dbraw/zinc/10/49/06/288104906.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104908 /nfs/dbraw/zinc/10/49/08/288104908.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104909 /nfs/dbraw/zinc/10/49/09/288104909.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895929 288104910 /nfs/dbraw/zinc/10/49/10/288104910.db2.gz FAPXZPGYVLJTOU-SACAXFFCSA-N 3 2 329.532 3.358 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000154508775 295208046 /nfs/dbraw/zinc/20/80/46/295208046.db2.gz WCMLVBWIQIYUJY-DGCLKSJQSA-N 2 2 327.266 3.203 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000414048207 309057740 /nfs/dbraw/zinc/05/77/40/309057740.db2.gz DJLJZXYPYRZDJG-XLIONFOSSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414083505 309059843 /nfs/dbraw/zinc/05/98/43/309059843.db2.gz WQSYWLJEOLDUJB-IRXDYDNUSA-N 2 2 339.483 3.058 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000414083505 309059844 /nfs/dbraw/zinc/05/98/44/309059844.db2.gz WQSYWLJEOLDUJB-IRXDYDNUSA-N 2 2 339.483 3.058 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082201 309060005 /nfs/dbraw/zinc/06/00/05/309060005.db2.gz VBUXMJOWPGUREA-PKOBYXMFSA-N 2 2 338.499 3.045 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082201 309060006 /nfs/dbraw/zinc/06/00/06/309060006.db2.gz VBUXMJOWPGUREA-PKOBYXMFSA-N 2 2 338.499 3.045 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000130889773 307635833 /nfs/dbraw/zinc/63/58/33/307635833.db2.gz RUTHDPMLNNSEOI-OAHLLOKOSA-N 2 2 326.444 3.288 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414121866 309062177 /nfs/dbraw/zinc/06/21/77/309062177.db2.gz FLXXDTRGZQQFPQ-WDSOQIARSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414121866 309062178 /nfs/dbraw/zinc/06/21/78/309062178.db2.gz FLXXDTRGZQQFPQ-WDSOQIARSA-N 2 2 336.907 3.413 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000414129699 309062559 /nfs/dbraw/zinc/06/25/59/309062559.db2.gz VGPOTWZMSNNRSH-SQGPQFPESA-N 2 2 339.483 3.446 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000414129699 309062560 /nfs/dbraw/zinc/06/25/60/309062560.db2.gz VGPOTWZMSNNRSH-SQGPQFPESA-N 2 2 339.483 3.446 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000185678524 533696792 /nfs/dbraw/zinc/69/67/92/533696792.db2.gz SUUQXIRISUFLML-QRWLVFNGSA-N 2 2 328.456 3.485 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cc(C)on1 ZINC000414267248 309069627 /nfs/dbraw/zinc/06/96/27/309069627.db2.gz NAHOXHWUCLWXRS-YVWKXTFCSA-N 2 2 343.471 3.171 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cc(C)on1 ZINC000414267248 309069628 /nfs/dbraw/zinc/06/96/28/309069628.db2.gz NAHOXHWUCLWXRS-YVWKXTFCSA-N 2 2 343.471 3.171 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@H]2CCC[NH2+]C2)cc1OCC ZINC000414859499 309105901 /nfs/dbraw/zinc/10/59/01/309105901.db2.gz AZASVTJPGNJAID-AWEZNQCLSA-N 2 2 326.868 3.369 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414318860 309072666 /nfs/dbraw/zinc/07/26/66/309072666.db2.gz YGMBZKFDQPTNRA-QAPCUYQASA-N 2 2 339.414 3.438 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2nc(C3CCCCC3)cs2)n1C ZINC000414358215 309075076 /nfs/dbraw/zinc/07/50/76/309075076.db2.gz LIGGPVAXUSWBGZ-UHFFFAOYSA-N 2 2 347.532 3.323 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C(c2cccs2)c2cccs2)n1C ZINC000414363349 309075433 /nfs/dbraw/zinc/07/54/33/309075433.db2.gz XSRXHMPIJNMHAV-UHFFFAOYSA-N 2 2 332.498 3.488 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)n1C ZINC000414385561 309076954 /nfs/dbraw/zinc/07/69/54/309076954.db2.gz XFAVFEOJNQGDDN-UHFFFAOYSA-N 2 2 349.891 3.082 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000249783751 308028467 /nfs/dbraw/zinc/02/84/67/308028467.db2.gz LSYKFHCGTADRHB-TYPHKJRUSA-N 2 2 328.500 3.151 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000249783751 308028469 /nfs/dbraw/zinc/02/84/69/308028469.db2.gz LSYKFHCGTADRHB-TYPHKJRUSA-N 2 2 328.500 3.151 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000414394038 309077461 /nfs/dbraw/zinc/07/74/61/309077461.db2.gz HPIFWCHBSXCCAW-QGZVFWFLSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000414394038 309077462 /nfs/dbraw/zinc/07/74/62/309077462.db2.gz HPIFWCHBSXCCAW-QGZVFWFLSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292923567 308080561 /nfs/dbraw/zinc/08/05/61/308080561.db2.gz ILFUZUVGSYTYDM-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292923567 308080562 /nfs/dbraw/zinc/08/05/62/308080562.db2.gz ILFUZUVGSYTYDM-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292923567 308080563 /nfs/dbraw/zinc/08/05/63/308080563.db2.gz ILFUZUVGSYTYDM-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292923567 308080564 /nfs/dbraw/zinc/08/05/64/308080564.db2.gz ILFUZUVGSYTYDM-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[NH+](CC)CC)cc1 ZINC000294641973 308240839 /nfs/dbraw/zinc/24/08/39/308240839.db2.gz QELVLKFIOUZQIW-GOSISDBHSA-N 2 2 342.487 3.104 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295197823 308302077 /nfs/dbraw/zinc/30/20/77/308302077.db2.gz YGZZCVWWASSUPG-PBHICJAKSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295197823 308302078 /nfs/dbraw/zinc/30/20/78/308302078.db2.gz YGZZCVWWASSUPG-PBHICJAKSA-N 2 2 344.421 3.245 20 0 EGADLP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000296171213 308400893 /nfs/dbraw/zinc/40/08/93/308400893.db2.gz XEGOEMGZNCVUQY-AWEZNQCLSA-N 2 2 326.444 3.213 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766614 309099523 /nfs/dbraw/zinc/09/95/23/309099523.db2.gz HZOMHSFIXNZUHT-TZMCWYRMSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766614 309099524 /nfs/dbraw/zinc/09/95/24/309099524.db2.gz HZOMHSFIXNZUHT-TZMCWYRMSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414803056 309102341 /nfs/dbraw/zinc/10/23/41/309102341.db2.gz JACUZIMMWMRZFK-INIZCTEOSA-N 2 2 347.503 3.314 20 0 EGADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414809477 309102828 /nfs/dbraw/zinc/10/28/28/309102828.db2.gz UGQUYIKSXWZADX-BEFAXECRSA-N 3 2 335.923 3.412 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC000414834976 309104572 /nfs/dbraw/zinc/10/45/72/309104572.db2.gz UKSKMMARLLVLHQ-UHFFFAOYSA-N 2 2 330.428 3.195 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@H]([NH+](C)C)C1 ZINC000301376220 308698382 /nfs/dbraw/zinc/69/83/82/308698382.db2.gz VXJXVAHRDGGLAO-HNNXBMFYSA-N 2 2 341.455 3.250 20 0 EGADLP COc1ccccc1[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC000301588863 308706259 /nfs/dbraw/zinc/70/62/59/308706259.db2.gz WTCIZUXVWDQHDI-GOSISDBHSA-N 2 2 340.471 3.387 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000414844691 309105168 /nfs/dbraw/zinc/10/51/68/309105168.db2.gz LDYLARKBDGVEDD-HXUWFJFHSA-N 2 2 349.482 3.395 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1Br ZINC000400340089 308907111 /nfs/dbraw/zinc/90/71/11/308907111.db2.gz HCDVFZLZCLTKFT-MJVIPROJSA-N 2 2 327.266 3.249 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412398819 308984789 /nfs/dbraw/zinc/98/47/89/308984789.db2.gz LORSWLZYPDHVPQ-INIZCTEOSA-N 2 2 340.471 3.380 20 0 EGADLP CCn1c2ccccc2c2cc(C[NH2+]CC[NH2+]CCOC)ccc21 ZINC000414869378 309106381 /nfs/dbraw/zinc/10/63/81/309106381.db2.gz GASMLNHAKWMWDN-UHFFFAOYSA-N 2 2 325.456 3.140 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2sc(C)nc2C)cc1 ZINC000414877512 309106819 /nfs/dbraw/zinc/10/68/19/309106819.db2.gz GAWZVPDEMLLEOA-DLBZAZTESA-N 2 2 331.485 3.004 20 0 EGADLP [NH3+][C@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC1 ZINC000414891583 309107548 /nfs/dbraw/zinc/10/75/48/309107548.db2.gz ONAZXDDKXLXLDG-GOSISDBHSA-N 2 2 343.858 3.419 20 0 EGADLP COC[C@]1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CCC[NH2+]1 ZINC000414945283 309110510 /nfs/dbraw/zinc/11/05/10/309110510.db2.gz PVBRNUZQDUXPDX-OAQYLSRUSA-N 2 2 340.467 3.124 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000414953830 309111155 /nfs/dbraw/zinc/11/11/55/309111155.db2.gz RZUIHBFNYWNRNZ-QAPCUYQASA-N 2 2 348.441 3.152 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414964989 309111809 /nfs/dbraw/zinc/11/18/09/309111809.db2.gz VGVQCISQNFEDOD-MRXNPFEDSA-N 2 2 335.455 3.022 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414971093 309112221 /nfs/dbraw/zinc/11/22/21/309112221.db2.gz VXEPDXLOJNQREM-CYBMUJFWSA-N 2 2 335.904 3.062 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[NH2+]C3(C)C)cc2)cs1 ZINC000415048340 309116459 /nfs/dbraw/zinc/11/64/59/309116459.db2.gz XDLOGIQHOWVTDW-QGZVFWFLSA-N 2 2 331.485 3.261 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000415069396 309118048 /nfs/dbraw/zinc/11/80/48/309118048.db2.gz SLSCUVONIHUAML-FQEVSTJZSA-N 2 2 338.430 3.363 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415139564 309123310 /nfs/dbraw/zinc/12/33/10/309123310.db2.gz ZXDPDDKZNUSEKV-HZPDHXFCSA-N 2 2 345.512 3.447 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415139564 309123311 /nfs/dbraw/zinc/12/33/11/309123311.db2.gz ZXDPDDKZNUSEKV-HZPDHXFCSA-N 2 2 345.512 3.447 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000415905437 309147286 /nfs/dbraw/zinc/14/72/86/309147286.db2.gz ILPBGVYNJRMSMT-MAUKXSAKSA-N 2 2 341.459 3.108 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418269048 309241185 /nfs/dbraw/zinc/24/11/85/309241185.db2.gz XRMFRCNYZKUUNM-YOEHRIQHSA-N 2 2 343.475 3.087 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419904523 309273183 /nfs/dbraw/zinc/27/31/83/309273183.db2.gz XRELOXUCRSFKCH-UHFFFAOYSA-N 2 2 342.487 3.163 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420371476 309284831 /nfs/dbraw/zinc/28/48/31/309284831.db2.gz PNNTXHRCLABGNO-JXXFODFXSA-N 2 2 337.467 3.415 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420373476 309284843 /nfs/dbraw/zinc/28/48/43/309284843.db2.gz ZHMFKZOOLLQFAZ-GOSISDBHSA-N 2 2 341.455 3.380 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000420374038 309285050 /nfs/dbraw/zinc/28/50/50/309285050.db2.gz RURCKWOBAVWNCA-JXXFODFXSA-N 2 2 325.456 3.137 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)co2)cc1F ZINC000420384583 309285779 /nfs/dbraw/zinc/28/57/79/309285779.db2.gz UGKOUHFOOYGANH-GOSISDBHSA-N 2 2 333.382 3.195 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)co2)cc1F ZINC000420384583 309285780 /nfs/dbraw/zinc/28/57/80/309285780.db2.gz UGKOUHFOOYGANH-GOSISDBHSA-N 2 2 333.382 3.195 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402652 309286570 /nfs/dbraw/zinc/28/65/70/309286570.db2.gz KEEIIUSUIUWIGQ-YRGRVCCFSA-N 2 2 334.851 3.368 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402652 309286571 /nfs/dbraw/zinc/28/65/71/309286571.db2.gz KEEIIUSUIUWIGQ-YRGRVCCFSA-N 2 2 334.851 3.368 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000420403226 309286658 /nfs/dbraw/zinc/28/66/58/309286658.db2.gz KWHVKAHPRKOPAS-WHOFXGATSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000420403226 309286659 /nfs/dbraw/zinc/28/66/59/309286659.db2.gz KWHVKAHPRKOPAS-WHOFXGATSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000420409994 309286891 /nfs/dbraw/zinc/28/68/91/309286891.db2.gz XVDGCTQBRWOOBC-RYUDHWBXSA-N 2 2 333.423 3.434 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000420409994 309286892 /nfs/dbraw/zinc/28/68/92/309286892.db2.gz XVDGCTQBRWOOBC-RYUDHWBXSA-N 2 2 333.423 3.434 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1C ZINC000420413367 309287100 /nfs/dbraw/zinc/28/71/00/309287100.db2.gz ZWQOMGFOYQTGBQ-CVEARBPZSA-N 2 2 335.517 3.076 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1C ZINC000420413367 309287101 /nfs/dbraw/zinc/28/71/01/309287101.db2.gz ZWQOMGFOYQTGBQ-CVEARBPZSA-N 2 2 335.517 3.076 20 0 EGADLP C[C@@H](O)C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000420906233 309300207 /nfs/dbraw/zinc/30/02/07/309300207.db2.gz SGQSFVUEERXFHX-GOSISDBHSA-N 2 2 346.515 3.034 20 0 EGADLP C[C@@H](O)C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000420906233 309300208 /nfs/dbraw/zinc/30/02/08/309300208.db2.gz SGQSFVUEERXFHX-GOSISDBHSA-N 2 2 346.515 3.034 20 0 EGADLP c1ccc(C[C@@H]2CC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420911884 309300569 /nfs/dbraw/zinc/30/05/69/309300569.db2.gz GRCGNZCSEKUSCR-QFIPXVFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[C@@H]2CC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420911884 309300570 /nfs/dbraw/zinc/30/05/70/309300570.db2.gz GRCGNZCSEKUSCR-QFIPXVFZSA-N 2 2 336.479 3.336 20 0 EGADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926255 309301736 /nfs/dbraw/zinc/30/17/36/309301736.db2.gz XTJCXFCPCPEANS-LEWJYISDSA-N 2 2 346.515 3.202 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000420965795 309304894 /nfs/dbraw/zinc/30/48/94/309304894.db2.gz QAJBDMHJDZWAEN-UHFFFAOYSA-N 2 2 349.478 3.203 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000420965795 309304895 /nfs/dbraw/zinc/30/48/95/309304895.db2.gz QAJBDMHJDZWAEN-UHFFFAOYSA-N 2 2 349.478 3.203 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000420981720 309305544 /nfs/dbraw/zinc/30/55/44/309305544.db2.gz NPYPNLFPUKNNCX-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000420981720 309305545 /nfs/dbraw/zinc/30/55/45/309305545.db2.gz NPYPNLFPUKNNCX-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000420981720 309305546 /nfs/dbraw/zinc/30/55/46/309305546.db2.gz NPYPNLFPUKNNCX-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000420981720 309305547 /nfs/dbraw/zinc/30/55/47/309305547.db2.gz NPYPNLFPUKNNCX-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]C2CC3(C2)CCCCC3)[N@H+](Cc2ccccc2)C1 ZINC000421341800 309319154 /nfs/dbraw/zinc/31/91/54/309319154.db2.gz MCQBBUHHLSUIMO-UXHICEINSA-N 2 2 328.500 3.324 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]C2CC3(C2)CCCCC3)[N@@H+](Cc2ccccc2)C1 ZINC000421341800 309319155 /nfs/dbraw/zinc/31/91/55/309319155.db2.gz MCQBBUHHLSUIMO-UXHICEINSA-N 2 2 328.500 3.324 20 0 EGADLP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358987 309320067 /nfs/dbraw/zinc/32/00/67/309320067.db2.gz DUNLGSJEIBEZKG-HUUCEWRRSA-N 2 2 329.444 3.277 20 0 EGADLP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358987 309320068 /nfs/dbraw/zinc/32/00/68/309320068.db2.gz DUNLGSJEIBEZKG-HUUCEWRRSA-N 2 2 329.444 3.277 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000421369601 309320948 /nfs/dbraw/zinc/32/09/48/309320948.db2.gz IHAYBAPDVCDBBC-AFVILVPDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421369601 309320949 /nfs/dbraw/zinc/32/09/49/309320949.db2.gz IHAYBAPDVCDBBC-AFVILVPDSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421574354 309330358 /nfs/dbraw/zinc/33/03/58/309330358.db2.gz FOHBEHLXSNOPBT-IBGZPJMESA-N 2 2 325.456 3.398 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1Cl ZINC000421831272 309342213 /nfs/dbraw/zinc/34/22/13/309342213.db2.gz DRDBPHFVKLHQEF-DZGCQCFKSA-N 2 2 345.878 3.443 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)CC2)CC1 ZINC000422017657 309351256 /nfs/dbraw/zinc/35/12/56/309351256.db2.gz JOHXOCMAWVCBED-IPMKNSEASA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C)[C@H](C)C3)CC2)CC1 ZINC000422017657 309351257 /nfs/dbraw/zinc/35/12/57/309351257.db2.gz JOHXOCMAWVCBED-IPMKNSEASA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422214587 309358116 /nfs/dbraw/zinc/35/81/16/309358116.db2.gz SUXKJGBOHSJOCE-RTBURBONSA-N 2 2 346.519 3.398 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422695036 309363323 /nfs/dbraw/zinc/36/33/23/309363323.db2.gz OWVZYDWXBNRGOO-KBXCAEBGSA-N 2 2 327.428 3.113 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1OC ZINC000422700157 309363931 /nfs/dbraw/zinc/36/39/31/309363931.db2.gz BOKHWCYKBGMHDO-QZTJIDSGSA-N 2 2 326.440 3.287 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422727063 309365346 /nfs/dbraw/zinc/36/53/46/309365346.db2.gz BLGFXCOVVFQDQR-BTYIYWSLSA-N 3 2 340.515 3.365 20 0 EGADLP COc1ccccc1[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000422740228 309366009 /nfs/dbraw/zinc/36/60/09/309366009.db2.gz BEGSHGZNADHRLU-SCTDSRPQSA-N 2 2 333.520 3.198 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1Br ZINC000422780194 309367830 /nfs/dbraw/zinc/36/78/30/309367830.db2.gz HCDVFZLZCLTKFT-JTNHKYCSSA-N 2 2 327.266 3.249 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422795166 309368682 /nfs/dbraw/zinc/36/86/82/309368682.db2.gz ZSJSIFOVNSUTDC-YWZLYKJASA-N 3 2 326.488 3.111 20 0 EGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000422811866 309369679 /nfs/dbraw/zinc/36/96/79/309369679.db2.gz PTAWWMZQAZLCDY-PXNSSMCTSA-N 3 2 326.488 3.332 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422816111 309369970 /nfs/dbraw/zinc/36/99/70/309369970.db2.gz ZBYXAAQPTNTGCK-PWRODBHTSA-N 3 2 338.499 3.332 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422833230 309370925 /nfs/dbraw/zinc/37/09/25/309370925.db2.gz WAUWAIWDMYDIHB-KBPBESRZSA-N 2 2 346.393 3.257 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422845690 309371798 /nfs/dbraw/zinc/37/17/98/309371798.db2.gz OQBIJEDXEQDQCK-AYOQOUSVSA-N 2 2 335.923 3.455 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422845792 309371818 /nfs/dbraw/zinc/37/18/18/309371818.db2.gz OQBIJEDXEQDQCK-MNEFBYGVSA-N 2 2 335.923 3.455 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422872386 309373017 /nfs/dbraw/zinc/37/30/17/309373017.db2.gz GXUUPVPCKFFZRR-FHWLQOOXSA-N 2 2 332.488 3.173 20 0 EGADLP C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F)C1C[NH2+]C1 ZINC000422873949 309373287 /nfs/dbraw/zinc/37/32/87/309373287.db2.gz MQWRVMCJOATOOE-ZETCQYMHSA-N 2 2 325.186 3.292 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422889030 309374498 /nfs/dbraw/zinc/37/44/98/309374498.db2.gz OPOHPTPLLSYXCC-BJZITVGISA-N 2 2 345.874 3.181 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422906944 309375575 /nfs/dbraw/zinc/37/55/75/309375575.db2.gz KQEKFBNWHRDKKG-CJNGLKHVSA-N 2 2 344.421 3.340 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422908870 309375644 /nfs/dbraw/zinc/37/56/44/309375644.db2.gz MZPXLBKDEOPNND-CWRNSKLLSA-N 2 2 337.895 3.048 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422955129 309377972 /nfs/dbraw/zinc/37/79/72/309377972.db2.gz IRSRMUOKOPHCKT-OAHLLOKOSA-N 2 2 325.460 3.407 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423013639 309380924 /nfs/dbraw/zinc/38/09/24/309380924.db2.gz NCJSVJCKJPILQB-UPJWGTAASA-N 2 2 331.287 3.281 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423037047 309382386 /nfs/dbraw/zinc/38/23/86/309382386.db2.gz VJWNAUVZDUNPJA-IRXDYDNUSA-N 2 2 337.467 3.151 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423042540 309382697 /nfs/dbraw/zinc/38/26/97/309382697.db2.gz LDYGFDDTJIUCGL-OGHNNQOOSA-N 2 2 325.859 3.178 20 0 EGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051002 309383242 /nfs/dbraw/zinc/38/32/42/309383242.db2.gz MRXDBBBEEFBJQO-NWDGAFQWSA-N 2 2 348.082 3.181 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423056523 309383618 /nfs/dbraw/zinc/38/36/18/309383618.db2.gz YDZUAVJAGJVMLB-CHWSQXEVSA-N 2 2 328.859 3.113 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423101235 309385859 /nfs/dbraw/zinc/38/58/59/309385859.db2.gz VQLOMYXTRNBLJT-WNOSKKOXSA-N 2 2 342.405 3.308 20 0 EGADLP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC000423239933 309392030 /nfs/dbraw/zinc/39/20/30/309392030.db2.gz SWWGGXNEJAQJBP-IUODEOHRSA-N 2 2 327.241 3.381 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423264653 309392993 /nfs/dbraw/zinc/39/29/93/309392993.db2.gz AMYOJLMYXONFHP-MRXNPFEDSA-N 2 2 347.503 3.314 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423326036 309395326 /nfs/dbraw/zinc/39/53/26/309395326.db2.gz JANNCIVCEMJOEL-CQSZACIVSA-N 2 2 333.501 3.314 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423327830 309395396 /nfs/dbraw/zinc/39/53/96/309395396.db2.gz KFXIENCFGXDFAM-LLVKDONJSA-N 2 2 325.503 3.067 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000423332617 309395574 /nfs/dbraw/zinc/39/55/74/309395574.db2.gz DQUOLANJMVSLFO-KDOFPFPSSA-N 2 2 338.455 3.213 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000423340037 309395996 /nfs/dbraw/zinc/39/59/96/309395996.db2.gz SKZSYGZGXRIIAF-LJQANCHMSA-N 2 2 334.410 3.074 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000423351457 309396573 /nfs/dbraw/zinc/39/65/73/309396573.db2.gz ICYOTPOWBBBIOK-RHSMWYFYSA-N 2 2 338.455 3.213 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423378920 309397770 /nfs/dbraw/zinc/39/77/70/309397770.db2.gz LHLAVGKJVPXBQZ-HUUCEWRRSA-N 2 2 338.517 3.052 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423414836 309399324 /nfs/dbraw/zinc/39/93/24/309399324.db2.gz CPKWBQYQZSIICO-PBHICJAKSA-N 2 2 328.403 3.097 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CCC[NH2+]1 ZINC000423419844 309399666 /nfs/dbraw/zinc/39/96/66/309399666.db2.gz WLVPJGGGKVMFTQ-GOEBONIOSA-N 2 2 329.271 3.339 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000423530020 309405089 /nfs/dbraw/zinc/40/50/89/309405089.db2.gz QWUGDHKNSKZPLH-VQTJNVASSA-N 3 2 347.522 3.488 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423541759 309405853 /nfs/dbraw/zinc/40/58/53/309405853.db2.gz AVGCRIBRCQIRFR-IKGGRYGDSA-N 2 2 342.405 3.310 20 0 EGADLP [NH3+][C@@H](CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)CC1CCCCC1 ZINC000424126881 309430181 /nfs/dbraw/zinc/43/01/81/309430181.db2.gz CDLUEDXHARYVLD-IRXDYDNUSA-N 2 2 332.492 3.194 20 0 EGADLP CCN(CC)c1ccc(CNC(=O)Nc2cc(C)cc(C[NH3+])c2)c[nH+]1 ZINC000424432679 309443487 /nfs/dbraw/zinc/44/34/87/309443487.db2.gz CCBDZCWWOWHTBX-UHFFFAOYSA-N 2 2 341.459 3.017 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000425386515 309477690 /nfs/dbraw/zinc/47/76/90/309477690.db2.gz TXIAPHQLYNBCDL-DNVCBOLYSA-N 2 2 347.478 3.397 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000432237539 309655458 /nfs/dbraw/zinc/65/54/58/309655458.db2.gz HYFACDWRKBIBSK-LLVKDONJSA-N 2 2 335.250 3.190 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443207293 309897171 /nfs/dbraw/zinc/89/71/71/309897171.db2.gz YYFOYVNETIQLEP-GIESBBMHSA-N 2 2 331.504 3.023 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Br)cc1Cl ZINC000446817274 309968483 /nfs/dbraw/zinc/96/84/83/309968483.db2.gz HITIDIYYQUHXSJ-SMDDNHRTSA-N 2 2 349.700 3.066 20 0 EGADLP CC1CCC([NH+]2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)CC1 ZINC000446918351 309970791 /nfs/dbraw/zinc/97/07/91/309970791.db2.gz LLOFTPQSEMKQDO-UHFFFAOYSA-N 2 2 349.544 3.146 20 0 EGADLP C[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018165 310029573 /nfs/dbraw/zinc/02/95/73/310029573.db2.gz ROJKWRVBUVBNHH-LSDHHAIUSA-N 2 2 338.442 3.253 20 0 EGADLP C[C@@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018165 310029574 /nfs/dbraw/zinc/02/95/74/310029574.db2.gz ROJKWRVBUVBNHH-LSDHHAIUSA-N 2 2 338.442 3.253 20 0 EGADLP c1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCCCO2 ZINC000449029224 310030750 /nfs/dbraw/zinc/03/07/50/310030750.db2.gz NZKXYNXEHYHLKK-SFHVURJKSA-N 2 2 330.472 3.156 20 0 EGADLP c1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCCCO2 ZINC000449029224 310030751 /nfs/dbraw/zinc/03/07/51/310030751.db2.gz NZKXYNXEHYHLKK-SFHVURJKSA-N 2 2 330.472 3.156 20 0 EGADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000449029449 310030966 /nfs/dbraw/zinc/03/09/66/310030966.db2.gz OVUVYUCKAZSJTJ-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP Cc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1F ZINC000449037935 310031873 /nfs/dbraw/zinc/03/18/73/310031873.db2.gz QGISYKGDQXVSRU-UHFFFAOYSA-N 2 2 333.495 3.125 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C[C@H](C)O1 ZINC000449070299 310034507 /nfs/dbraw/zinc/03/45/07/310034507.db2.gz JPFYNPFGOUPMBV-ZOWXZIJZSA-N 2 2 342.405 3.180 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C[C@H](C)O1 ZINC000449070299 310034508 /nfs/dbraw/zinc/03/45/08/310034508.db2.gz JPFYNPFGOUPMBV-ZOWXZIJZSA-N 2 2 342.405 3.180 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449211253 310044800 /nfs/dbraw/zinc/04/48/00/310044800.db2.gz RTIRELMVMRVIEO-APWZRJJASA-N 2 2 329.488 3.298 20 0 EGADLP COc1cc2ccccc2cc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000449221252 310045587 /nfs/dbraw/zinc/04/55/87/310045587.db2.gz GEPFIXFIXLAJGD-INIZCTEOSA-N 2 2 328.456 3.049 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281787 310049731 /nfs/dbraw/zinc/04/97/31/310049731.db2.gz FBHAMZCDQLGGSJ-SWLSCSKDSA-N 2 2 342.405 3.182 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281787 310049732 /nfs/dbraw/zinc/04/97/32/310049732.db2.gz FBHAMZCDQLGGSJ-SWLSCSKDSA-N 2 2 342.405 3.182 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329752 310054030 /nfs/dbraw/zinc/05/40/30/310054030.db2.gz JKPHWVOEDWDLKQ-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329752 310054031 /nfs/dbraw/zinc/05/40/31/310054031.db2.gz JKPHWVOEDWDLKQ-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Br)c1F ZINC000449329752 310054032 /nfs/dbraw/zinc/05/40/32/310054032.db2.gz JKPHWVOEDWDLKQ-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1F ZINC000449329752 310054033 /nfs/dbraw/zinc/05/40/33/310054033.db2.gz JKPHWVOEDWDLKQ-BXUZGUMPSA-N 2 2 329.257 3.360 20 0 EGADLP CN(C)c1cc[nH+]cc1CNCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000449473674 310065311 /nfs/dbraw/zinc/06/53/11/310065311.db2.gz IDNRFMIWZWRFCR-UHFFFAOYSA-N 2 2 338.499 3.292 20 0 EGADLP CN(C)c1cc[nH+]cc1CNCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000449473674 310065312 /nfs/dbraw/zinc/06/53/12/310065312.db2.gz IDNRFMIWZWRFCR-UHFFFAOYSA-N 2 2 338.499 3.292 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000449473674 310065313 /nfs/dbraw/zinc/06/53/13/310065313.db2.gz IDNRFMIWZWRFCR-UHFFFAOYSA-N 2 2 338.499 3.292 20 0 EGADLP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000449482992 310065821 /nfs/dbraw/zinc/06/58/21/310065821.db2.gz FMSWVPBKHIBKLJ-OAQYLSRUSA-N 2 2 339.483 3.197 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3C)CC2)cc1 ZINC000449520890 310068912 /nfs/dbraw/zinc/06/89/12/310068912.db2.gz FSUWXNZFGVURSM-MGPUTAFESA-N 2 2 329.488 3.388 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000449526606 310069367 /nfs/dbraw/zinc/06/93/67/310069367.db2.gz WTPAFRYPPGUULU-LEWJYISDSA-N 2 2 341.499 3.388 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000449610769 310075209 /nfs/dbraw/zinc/07/52/09/310075209.db2.gz SBDOGQYIWHFTKD-NZSAHSFTSA-N 2 2 325.456 3.237 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000449610769 310075210 /nfs/dbraw/zinc/07/52/10/310075210.db2.gz SBDOGQYIWHFTKD-NZSAHSFTSA-N 2 2 325.456 3.237 20 0 EGADLP COC(=O)[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1c1ccccc1 ZINC000449757419 310084903 /nfs/dbraw/zinc/08/49/03/310084903.db2.gz RNOQBAQRMBKXEV-UXHICEINSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1c1ccccc1 ZINC000449757419 310084904 /nfs/dbraw/zinc/08/49/04/310084904.db2.gz RNOQBAQRMBKXEV-UXHICEINSA-N 2 2 338.451 3.211 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505385 310126957 /nfs/dbraw/zinc/12/69/57/310126957.db2.gz YPBVLXLORGHEEE-FPOVZHCZSA-N 2 2 338.499 3.042 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505385 310126958 /nfs/dbraw/zinc/12/69/58/310126958.db2.gz YPBVLXLORGHEEE-FPOVZHCZSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505385 310126959 /nfs/dbraw/zinc/12/69/59/310126959.db2.gz YPBVLXLORGHEEE-FPOVZHCZSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505385 310126960 /nfs/dbraw/zinc/12/69/60/310126960.db2.gz YPBVLXLORGHEEE-FPOVZHCZSA-N 2 2 338.499 3.042 20 0 EGADLP c1coc(CN(CC[NH+]2CCOCC2)c2cc[nH+]c3ccccc32)c1 ZINC000450944483 310151337 /nfs/dbraw/zinc/15/13/37/310151337.db2.gz UTMLZISPONGRRV-UHFFFAOYSA-N 2 2 337.423 3.167 20 0 EGADLP C[C@](CO)([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000451903329 310202861 /nfs/dbraw/zinc/20/28/61/310202861.db2.gz DWQHWFLGSBTLGT-OAHLLOKOSA-N 2 2 328.243 3.077 20 0 EGADLP C[C@@](CO)([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000451903328 310202867 /nfs/dbraw/zinc/20/28/67/310202867.db2.gz DWQHWFLGSBTLGT-HNNXBMFYSA-N 2 2 328.243 3.077 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000452332257 310223766 /nfs/dbraw/zinc/22/37/66/310223766.db2.gz GOHFGJIZLNSPCR-GOSISDBHSA-N 2 2 326.444 3.241 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092979 310257430 /nfs/dbraw/zinc/25/74/30/310257430.db2.gz ROWWQUXBWNTVFX-BFYDXBDKSA-N 2 2 330.501 3.452 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263529 310267775 /nfs/dbraw/zinc/26/77/75/310267775.db2.gz UFVGSKAEHAXSQR-NVXWUHKLSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263529 310267776 /nfs/dbraw/zinc/26/77/76/310267776.db2.gz UFVGSKAEHAXSQR-NVXWUHKLSA-N 2 2 342.430 3.176 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287212 310269144 /nfs/dbraw/zinc/26/91/44/310269144.db2.gz PTVUSPDBPFHLEG-OAUYIBNBSA-N 2 2 342.405 3.201 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287212 310269145 /nfs/dbraw/zinc/26/91/45/310269145.db2.gz PTVUSPDBPFHLEG-OAUYIBNBSA-N 2 2 342.405 3.201 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000453293370 310269440 /nfs/dbraw/zinc/26/94/40/310269440.db2.gz WMGOJYHMJLPLBV-APHBMKBZSA-N 2 2 330.394 3.059 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000453293370 310269441 /nfs/dbraw/zinc/26/94/41/310269441.db2.gz WMGOJYHMJLPLBV-APHBMKBZSA-N 2 2 330.394 3.059 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453313313 310270474 /nfs/dbraw/zinc/27/04/74/310270474.db2.gz WHKZVVXXRPBSOV-RXVVDRJESA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453313313 310270475 /nfs/dbraw/zinc/27/04/75/310270475.db2.gz WHKZVVXXRPBSOV-RXVVDRJESA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453313312 310270557 /nfs/dbraw/zinc/27/05/57/310270557.db2.gz WHKZVVXXRPBSOV-NQIIRXRSSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453313312 310270558 /nfs/dbraw/zinc/27/05/58/310270558.db2.gz WHKZVVXXRPBSOV-NQIIRXRSSA-N 2 2 338.499 3.218 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC3(C)C)CC2)cc1 ZINC000453322576 310271015 /nfs/dbraw/zinc/27/10/15/310271015.db2.gz ITEBPRRGYQPFMG-IBGZPJMESA-N 2 2 329.488 3.388 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453372559 310273616 /nfs/dbraw/zinc/27/36/16/310273616.db2.gz GNVHPLPOSVUTCM-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453372559 310273617 /nfs/dbraw/zinc/27/36/17/310273617.db2.gz GNVHPLPOSVUTCM-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1cc(Br)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000453591310 310283380 /nfs/dbraw/zinc/28/33/80/310283380.db2.gz GULMIBXDSHXACS-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(Br)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)s1 ZINC000453591310 310283381 /nfs/dbraw/zinc/28/33/81/310283381.db2.gz GULMIBXDSHXACS-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000453591310 310283382 /nfs/dbraw/zinc/28/33/82/310283382.db2.gz GULMIBXDSHXACS-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC000453591310 310283383 /nfs/dbraw/zinc/28/33/83/310283383.db2.gz GULMIBXDSHXACS-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000454475457 310311649 /nfs/dbraw/zinc/31/16/49/310311649.db2.gz GZBYBZXJRHZIQW-MRXNPFEDSA-N 2 2 349.523 3.025 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c(C)[nH+]1 ZINC000455475706 310362680 /nfs/dbraw/zinc/36/26/80/310362680.db2.gz DRGFQTQOWULOEP-UHFFFAOYSA-N 2 2 344.434 3.399 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c(C)[nH+]1 ZINC000455475706 310362681 /nfs/dbraw/zinc/36/26/81/310362681.db2.gz DRGFQTQOWULOEP-UHFFFAOYSA-N 2 2 344.434 3.399 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504435 310364373 /nfs/dbraw/zinc/36/43/73/310364373.db2.gz WOMNHKHVCOPXSH-SJLPKXTDSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504435 310364374 /nfs/dbraw/zinc/36/43/74/310364374.db2.gz WOMNHKHVCOPXSH-SJLPKXTDSA-N 2 2 342.487 3.487 20 0 EGADLP C[NH+](C)CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000463126874 310609438 /nfs/dbraw/zinc/60/94/38/310609438.db2.gz VVJMUESUAAWCRZ-HNNXBMFYSA-N 3 2 337.474 3.359 20 0 EGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000474803807 310799591 /nfs/dbraw/zinc/79/95/91/310799591.db2.gz HPIJGYBBIAPVBJ-OALUTQOASA-N 2 2 338.536 3.064 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000482156245 310927576 /nfs/dbraw/zinc/92/75/76/310927576.db2.gz KLZHRKFVHXUOHJ-WBVHZDCISA-N 2 2 336.476 3.365 20 0 EGADLP O=C(/C=C\c1nc2ccccc2o1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491842379 311191454 /nfs/dbraw/zinc/19/14/54/311191454.db2.gz FPTDKTRCZPAJDK-WAYWQWQTSA-N 2 2 331.335 3.060 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000492301604 311235576 /nfs/dbraw/zinc/23/55/76/311235576.db2.gz VSKQWKNJHDADRB-YUQCYMQKSA-N 2 2 340.471 3.162 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493330040 311360736 /nfs/dbraw/zinc/36/07/36/311360736.db2.gz XVDRGOOSBZGLRQ-SREVYHEPSA-N 2 2 335.411 3.430 20 0 EGADLP CN(C(=O)c1ccc2[nH+]ccn2c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494068658 311454505 /nfs/dbraw/zinc/45/45/05/311454505.db2.gz JHVQBWIKKCUJFH-UHFFFAOYSA-N 2 2 328.460 3.061 20 0 EGADLP CCC(CC)[C@H](CNc1nc(-c2ccncc2)[nH+]c(C)c1C)[NH+](C)C ZINC000500468792 311925661 /nfs/dbraw/zinc/92/56/61/311925661.db2.gz VEYPNJQXTQEIQH-SFHVURJKSA-N 2 2 341.503 3.356 20 0 EGADLP C[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000037256206 453935111 /nfs/dbraw/zinc/93/51/11/453935111.db2.gz SRSDFMOLGQNLDP-HNNXBMFYSA-N 2 2 339.277 3.347 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506471588 312049592 /nfs/dbraw/zinc/04/95/92/312049592.db2.gz DNLBNVWEGLOVRO-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506471588 312049593 /nfs/dbraw/zinc/04/95/93/312049593.db2.gz DNLBNVWEGLOVRO-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506471588 312049595 /nfs/dbraw/zinc/04/95/95/312049595.db2.gz DNLBNVWEGLOVRO-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506471588 312049596 /nfs/dbraw/zinc/04/95/96/312049596.db2.gz DNLBNVWEGLOVRO-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)[C@@H]3CCCOC3)c(C)c2)CC1 ZINC000507452791 312072956 /nfs/dbraw/zinc/07/29/56/312072956.db2.gz YELCAITZOZXXTL-ZWKOTPCHSA-N 2 2 331.504 3.364 20 0 EGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510723479 312147017 /nfs/dbraw/zinc/14/70/17/312147017.db2.gz RUWWHCBTYNMJDU-PMPSAXMXSA-N 2 2 340.458 3.375 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000512176054 312178294 /nfs/dbraw/zinc/17/82/94/312178294.db2.gz AVTLGMCYGNSAHU-QGZVFWFLSA-N 2 2 330.472 3.359 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000512176054 312178296 /nfs/dbraw/zinc/17/82/96/312178296.db2.gz AVTLGMCYGNSAHU-QGZVFWFLSA-N 2 2 330.472 3.359 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512631408 312190913 /nfs/dbraw/zinc/19/09/13/312190913.db2.gz QRNHAKMSLHHXBY-PWRODBHTSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512631408 312190914 /nfs/dbraw/zinc/19/09/14/312190914.db2.gz QRNHAKMSLHHXBY-PWRODBHTSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191842 /nfs/dbraw/zinc/19/18/42/312191842.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191844 /nfs/dbraw/zinc/19/18/44/312191844.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191845 /nfs/dbraw/zinc/19/18/45/312191845.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512652954 312191848 /nfs/dbraw/zinc/19/18/48/312191848.db2.gz CCKWYDZRVJZHAE-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672613 312192065 /nfs/dbraw/zinc/19/20/65/312192065.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672613 312192066 /nfs/dbraw/zinc/19/20/66/312192066.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@H+](C)C1CC1 ZINC000512672613 312192068 /nfs/dbraw/zinc/19/20/68/312192068.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@@H+](C)C1CC1 ZINC000512672613 312192069 /nfs/dbraw/zinc/19/20/69/312192069.db2.gz LLRVERXORANIMQ-CMCXCUNFSA-N 3 2 341.543 3.359 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000514092807 312224708 /nfs/dbraw/zinc/22/47/08/312224708.db2.gz BVGLWWIELVJWIO-UHFFFAOYSA-N 2 2 332.517 3.150 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000514733374 312242677 /nfs/dbraw/zinc/24/26/77/312242677.db2.gz JEKQTIAAOHIBTP-GQIGUUNPSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000515074497 312264490 /nfs/dbraw/zinc/26/44/90/312264490.db2.gz PGIBKGLGVWOYTM-ZWKOTPCHSA-N 2 2 331.504 3.422 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000515497109 312285895 /nfs/dbraw/zinc/28/58/95/312285895.db2.gz TUAUYSWQOATDHV-ZTFGCOKTSA-N 2 2 349.906 3.028 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc3c(c1)CCC(=O)N3)CCC2 ZINC000532537717 313813392 /nfs/dbraw/zinc/81/33/92/313813392.db2.gz YEDXKMJYZZYQIQ-WMLDXEAASA-N 2 2 338.455 3.304 20 0 EGADLP Cc1cnn(CCCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534859887 314003097 /nfs/dbraw/zinc/00/30/97/314003097.db2.gz CLKGQBHPZMBWNO-UHFFFAOYSA-N 2 2 327.476 3.333 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312349 314040287 /nfs/dbraw/zinc/04/02/87/314040287.db2.gz FKBJKTCNWDRJMY-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312349 314040288 /nfs/dbraw/zinc/04/02/88/314040288.db2.gz FKBJKTCNWDRJMY-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1cc(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(C)c[nH+]1 ZINC000535774210 314072487 /nfs/dbraw/zinc/07/24/87/314072487.db2.gz UEJDJSTXZMORBF-MRXNPFEDSA-N 2 2 340.471 3.371 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000535848592 314080061 /nfs/dbraw/zinc/08/00/61/314080061.db2.gz KSMMWJHRYZZYNZ-LPHOPBHVSA-N 2 2 333.439 3.423 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1n1cc[nH+]c1 ZINC000535848592 314080064 /nfs/dbraw/zinc/08/00/64/314080064.db2.gz KSMMWJHRYZZYNZ-LPHOPBHVSA-N 2 2 333.439 3.423 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067108 314092464 /nfs/dbraw/zinc/09/24/64/314092464.db2.gz MEFOXVRPZIWAGQ-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067108 314092468 /nfs/dbraw/zinc/09/24/68/314092468.db2.gz MEFOXVRPZIWAGQ-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536835428 314148635 /nfs/dbraw/zinc/14/86/35/314148635.db2.gz YYZLZZUHYDJZND-YHYVQYDKSA-N 2 2 338.495 3.393 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536835428 314148638 /nfs/dbraw/zinc/14/86/38/314148638.db2.gz YYZLZZUHYDJZND-YHYVQYDKSA-N 2 2 338.495 3.393 20 0 EGADLP CN1Cc2ccccc2[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000537952787 314219470 /nfs/dbraw/zinc/21/94/70/314219470.db2.gz SVEDPSILGRCJQI-HSZRJFAPSA-N 2 2 349.522 3.470 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635832 315028935 /nfs/dbraw/zinc/02/89/35/315028935.db2.gz IHGRQKHQVGEZCV-WMLDXEAASA-N 2 2 341.459 3.079 20 0 EGADLP CCc1cnc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961030 315359591 /nfs/dbraw/zinc/35/95/91/315359591.db2.gz QWEQWXYZEHSJKV-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961030 315359594 /nfs/dbraw/zinc/35/95/94/315359594.db2.gz QWEQWXYZEHSJKV-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961030 315359596 /nfs/dbraw/zinc/35/95/96/315359596.db2.gz QWEQWXYZEHSJKV-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961030 315359599 /nfs/dbraw/zinc/35/95/99/315359599.db2.gz QWEQWXYZEHSJKV-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP CC(C)(C[NH2+]Cc1conc1Cc1ccccc1)C[NH+]1CCCC1 ZINC000559300607 315626374 /nfs/dbraw/zinc/62/63/74/315626374.db2.gz QZVIOIMNZLBDNF-UHFFFAOYSA-N 2 2 327.472 3.477 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563363156 316007150 /nfs/dbraw/zinc/00/71/50/316007150.db2.gz HQBUEEKMVOBOAR-QGZVFWFLSA-N 2 2 345.531 3.453 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563363156 316007156 /nfs/dbraw/zinc/00/71/56/316007156.db2.gz HQBUEEKMVOBOAR-QGZVFWFLSA-N 2 2 345.531 3.453 20 0 EGADLP C[C@@]1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CCC[NH2+]C1 ZINC000563429731 316020794 /nfs/dbraw/zinc/02/07/94/316020794.db2.gz WZOHUYXAMBXJIO-GOSISDBHSA-N 2 2 345.468 3.018 20 0 EGADLP CC(C)(C)c1cc(N2CCN(c3[nH]cc[nH+]3)CC2)nc(C(C)(C)C)[nH+]1 ZINC000564056906 316106673 /nfs/dbraw/zinc/10/66/73/316106673.db2.gz GAZRGWNZUAVEEZ-UHFFFAOYSA-N 2 2 342.491 3.121 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[NH+]1CCCC1 ZINC000564108616 316114398 /nfs/dbraw/zinc/11/43/98/316114398.db2.gz OOQYUMTYEBHIKL-GFCCVEGCSA-N 2 2 329.257 3.205 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465320 316156545 /nfs/dbraw/zinc/15/65/45/316156545.db2.gz KXRZKAWWIFXDHF-BXUZGUMPSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465320 316156548 /nfs/dbraw/zinc/15/65/48/316156548.db2.gz KXRZKAWWIFXDHF-BXUZGUMPSA-N 2 2 349.276 3.151 20 0 EGADLP c1cncc([C@@H]2CCC[C@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1 ZINC000564722377 316195041 /nfs/dbraw/zinc/19/50/41/316195041.db2.gz BTISSXUHLGAVKT-AEFFLSMTSA-N 2 2 337.471 3.025 20 0 EGADLP O=C(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000564826267 316213514 /nfs/dbraw/zinc/21/35/14/316213514.db2.gz IGHJWAJGYZTOIX-ZWKOTPCHSA-N 2 2 343.858 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829316 316213590 /nfs/dbraw/zinc/21/35/90/316213590.db2.gz SCZHHKUSBGQOOF-QRQLOZEOSA-N 2 2 343.515 3.029 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000564829316 316213591 /nfs/dbraw/zinc/21/35/91/316213591.db2.gz SCZHHKUSBGQOOF-QRQLOZEOSA-N 2 2 343.515 3.029 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000564844810 316216808 /nfs/dbraw/zinc/21/68/08/316216808.db2.gz QEPVHEPXBVTBME-UTKZUKDTSA-N 2 2 335.451 3.186 20 0 EGADLP C[C@@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072097 316260820 /nfs/dbraw/zinc/26/08/20/316260820.db2.gz ZRXOPVXTEGUCGB-KBPBESRZSA-N 2 2 347.488 3.161 20 0 EGADLP C[C@@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072097 316260823 /nfs/dbraw/zinc/26/08/23/316260823.db2.gz ZRXOPVXTEGUCGB-KBPBESRZSA-N 2 2 347.488 3.161 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)c2ccccn21 ZINC000565081301 316262200 /nfs/dbraw/zinc/26/22/00/316262200.db2.gz UTCUBTMNODCBRD-KRWDZBQOSA-N 2 2 348.450 3.353 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370101 316316120 /nfs/dbraw/zinc/31/61/20/316316120.db2.gz FTQNOWVADHLWNI-NVXWUHKLSA-N 2 2 347.528 3.424 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370101 316316123 /nfs/dbraw/zinc/31/61/23/316316123.db2.gz FTQNOWVADHLWNI-NVXWUHKLSA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370101 316316124 /nfs/dbraw/zinc/31/61/24/316316124.db2.gz FTQNOWVADHLWNI-NVXWUHKLSA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370101 316316127 /nfs/dbraw/zinc/31/61/27/316316127.db2.gz FTQNOWVADHLWNI-NVXWUHKLSA-N 2 2 347.528 3.424 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475692 316329225 /nfs/dbraw/zinc/32/92/25/316329225.db2.gz COJWTSVJKDTPBG-SFHVURJKSA-N 2 2 342.508 3.383 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475692 316329227 /nfs/dbraw/zinc/32/92/27/316329227.db2.gz COJWTSVJKDTPBG-SFHVURJKSA-N 2 2 342.508 3.383 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C3CC3)C3CCC3)c2cc1C ZINC000565874520 316381242 /nfs/dbraw/zinc/38/12/42/316381242.db2.gz KCMMYQPLIQWPLD-FXAWDEMLSA-N 2 2 327.472 3.182 20 0 EGADLP CCSCC[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000565887511 316383520 /nfs/dbraw/zinc/38/35/20/316383520.db2.gz SVDRXKXYMCSPAQ-CVEARBPZSA-N 2 2 335.517 3.135 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000570123577 317010903 /nfs/dbraw/zinc/01/09/03/317010903.db2.gz SXIJGPIYWYQFCZ-ZIAGYGMSSA-N 2 2 339.443 3.403 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)c2cc1C ZINC000571301113 317181444 /nfs/dbraw/zinc/18/14/44/317181444.db2.gz QYIUTGSQSJFMQP-UFYCRDLUSA-N 2 2 349.478 3.407 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000572304153 317319123 /nfs/dbraw/zinc/31/91/23/317319123.db2.gz GZBVOPKHSFIMKB-CALCHBBNSA-N 3 2 340.515 3.496 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000572304153 317319126 /nfs/dbraw/zinc/31/91/26/317319126.db2.gz GZBVOPKHSFIMKB-CALCHBBNSA-N 3 2 340.515 3.496 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000574151239 317566315 /nfs/dbraw/zinc/56/63/15/317566315.db2.gz PMHHUDXFUQLVFG-YYWHXJBOSA-N 2 2 326.484 3.261 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000247042162 455550138 /nfs/dbraw/zinc/55/01/38/455550138.db2.gz MUAJAQQQITXQFU-DOMZBBRYSA-N 2 2 339.277 3.347 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH+]1 ZINC000179589480 323395131 /nfs/dbraw/zinc/39/51/31/323395131.db2.gz YRMAMPWXYKBVDE-KRWDZBQOSA-N 2 2 335.407 3.443 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH+]1 ZINC000179589480 323395137 /nfs/dbraw/zinc/39/51/37/323395137.db2.gz YRMAMPWXYKBVDE-KRWDZBQOSA-N 2 2 335.407 3.443 20 0 EGADLP CC1(C)[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)[C@H]2CCCO[C@@H]21 ZINC000181488692 323487048 /nfs/dbraw/zinc/48/70/48/323487048.db2.gz USIGGNBNMRUOLS-ZACQAIPSSA-N 2 2 338.561 3.141 20 0 EGADLP c1cn(Cc2cccc(-c3noc(C45CCC[NH+]4CCC5)n3)c2)c[nH+]1 ZINC000351203888 324194820 /nfs/dbraw/zinc/19/48/20/324194820.db2.gz QYBJUDXMAKFHQU-UHFFFAOYSA-N 2 2 335.411 3.066 20 0 EGADLP C[C@@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870863 324285442 /nfs/dbraw/zinc/28/54/42/324285442.db2.gz QHXSUVWIGHWPNY-DOTOQJQBSA-N 2 2 344.421 3.190 20 0 EGADLP C[C@@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870863 324285445 /nfs/dbraw/zinc/28/54/45/324285445.db2.gz QHXSUVWIGHWPNY-DOTOQJQBSA-N 2 2 344.421 3.190 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1CC(C)C1 ZINC000579851330 325168306 /nfs/dbraw/zinc/16/83/06/325168306.db2.gz NQNMVWMQCDQBFB-HNNXBMFYSA-N 2 2 338.455 3.165 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000580063903 325197978 /nfs/dbraw/zinc/19/79/78/325197978.db2.gz ANYCWBWKSYOBDY-DNVCBOLYSA-N 2 2 348.874 3.314 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000580326209 325235159 /nfs/dbraw/zinc/23/51/59/325235159.db2.gz LJUICCVWTPUUAS-WMLDXEAASA-N 2 2 338.879 3.069 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000580326209 325235161 /nfs/dbraw/zinc/23/51/61/325235161.db2.gz LJUICCVWTPUUAS-WMLDXEAASA-N 2 2 338.879 3.069 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)ccc2Br)n1C ZINC000580451559 325253621 /nfs/dbraw/zinc/25/36/21/325253621.db2.gz IESXAGNUCLLNBL-UHFFFAOYSA-N 2 2 328.641 3.434 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000580613747 325273673 /nfs/dbraw/zinc/27/36/73/325273673.db2.gz KEUSAWHCVSBDFU-INIZCTEOSA-N 2 2 345.878 3.445 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000581364312 325355430 /nfs/dbraw/zinc/35/54/30/325355430.db2.gz YINUOZNKOBVFPY-LSDHHAIUSA-N 2 2 337.345 3.257 20 0 EGADLP Cc1cc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797322 325390721 /nfs/dbraw/zinc/39/07/21/325390721.db2.gz KDPBUISGNXTFGO-FUHWJXTLSA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797322 325390722 /nfs/dbraw/zinc/39/07/22/325390722.db2.gz KDPBUISGNXTFGO-FUHWJXTLSA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000353901402 456958113 /nfs/dbraw/zinc/95/81/13/456958113.db2.gz RTPHVXZWRBTQCK-LBPRGKRZSA-N 2 2 335.249 3.226 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)n2c1 ZINC000189627634 455224060 /nfs/dbraw/zinc/22/40/60/455224060.db2.gz PMKXVUPUBUCUGY-CJNGLKHVSA-N 2 2 341.377 3.216 20 0 EGADLP c1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000157721897 455224812 /nfs/dbraw/zinc/22/48/12/455224812.db2.gz FUQCLZWSUNECRK-RTWAWAEBSA-N 2 2 337.467 3.166 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(C(C)(C)C)s2)CCCO1 ZINC000432360523 458722944 /nfs/dbraw/zinc/72/29/44/458722944.db2.gz WANDJHUVEIVGBG-CQSZACIVSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(C(C)(C)C)s2)CCCO1 ZINC000432360523 458722954 /nfs/dbraw/zinc/72/29/54/458722954.db2.gz WANDJHUVEIVGBG-CQSZACIVSA-N 2 2 325.522 3.031 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1OC ZINC000173311551 455263188 /nfs/dbraw/zinc/26/31/88/455263188.db2.gz SYCLCICJDPPXIQ-AWEZNQCLSA-N 2 2 325.412 3.245 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447859 455304577 /nfs/dbraw/zinc/30/45/77/455304577.db2.gz MKZKDVWXXRGBKJ-ROUUACIJSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447859 455304584 /nfs/dbraw/zinc/30/45/84/455304584.db2.gz MKZKDVWXXRGBKJ-ROUUACIJSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000605518561 460596804 /nfs/dbraw/zinc/59/68/04/460596804.db2.gz OMUOZCODTAPWAO-KRWDZBQOSA-N 2 2 339.439 3.478 20 0 EGADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000600812072 460613696 /nfs/dbraw/zinc/61/36/96/460613696.db2.gz JQLGXQXWPKVVQT-WOHXKIKESA-N 2 2 329.532 3.486 20 0 EGADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000600812072 460613700 /nfs/dbraw/zinc/61/37/00/460613700.db2.gz JQLGXQXWPKVVQT-WOHXKIKESA-N 2 2 329.532 3.486 20 0 EGADLP C[N@H+](CCC[NH2+][C@H](C(=O)NC1CC1)c1ccccc1)C1CCCCC1 ZINC000030027281 453833480 /nfs/dbraw/zinc/83/34/80/453833480.db2.gz YSEBLRQCILUTBV-FQEVSTJZSA-N 2 2 343.515 3.251 20 0 EGADLP C[N@@H+](CCC[NH2+][C@H](C(=O)NC1CC1)c1ccccc1)C1CCCCC1 ZINC000030027281 453833481 /nfs/dbraw/zinc/83/34/81/453833481.db2.gz YSEBLRQCILUTBV-FQEVSTJZSA-N 2 2 343.515 3.251 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860718 453932198 /nfs/dbraw/zinc/93/21/98/453932198.db2.gz RLLFWESXGFSZDI-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860718 453932203 /nfs/dbraw/zinc/93/22/03/453932203.db2.gz RLLFWESXGFSZDI-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860718 453932205 /nfs/dbraw/zinc/93/22/05/453932205.db2.gz RLLFWESXGFSZDI-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860718 453932208 /nfs/dbraw/zinc/93/22/08/453932208.db2.gz RLLFWESXGFSZDI-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP Cc1cc([C@@](C)(O)C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)c(C)o1 ZINC000084047254 453966022 /nfs/dbraw/zinc/96/60/22/453966022.db2.gz YZVVWXWQOVWBRT-FQEVSTJZSA-N 2 2 339.439 3.388 20 0 EGADLP Cc1ccc([C@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCOCC2)cc1 ZINC000085658213 454036110 /nfs/dbraw/zinc/03/61/10/454036110.db2.gz VAXQKGYRJYBPOU-NRFANRHFSA-N 2 2 348.450 3.424 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1F ZINC000245919567 455399475 /nfs/dbraw/zinc/39/94/75/455399475.db2.gz QOPLJQHWVYWWFF-DOPJRALCSA-N 2 2 338.442 3.383 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000044686409 454114272 /nfs/dbraw/zinc/11/42/72/454114272.db2.gz FCCDBGPCMNBJOG-AAEUAGOBSA-N 2 2 339.277 3.345 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000044686409 454114275 /nfs/dbraw/zinc/11/42/75/454114275.db2.gz FCCDBGPCMNBJOG-AAEUAGOBSA-N 2 2 339.277 3.345 20 0 EGADLP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000069562431 454119285 /nfs/dbraw/zinc/11/92/85/454119285.db2.gz ACIHZHQYILXVID-HKUYNNGSSA-N 2 2 346.434 3.091 20 0 EGADLP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000069562431 454119289 /nfs/dbraw/zinc/11/92/89/454119289.db2.gz ACIHZHQYILXVID-HKUYNNGSSA-N 2 2 346.434 3.091 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000089622250 454169039 /nfs/dbraw/zinc/16/90/39/454169039.db2.gz YSWJQFTVDDZUTL-QGZVFWFLSA-N 2 2 339.483 3.275 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000070533504 454169580 /nfs/dbraw/zinc/16/95/80/454169580.db2.gz HRTCOFAKFSYBIE-YPMHNXCESA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000070533504 454169582 /nfs/dbraw/zinc/16/95/82/454169582.db2.gz HRTCOFAKFSYBIE-YPMHNXCESA-N 2 2 327.266 3.017 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093655 455425821 /nfs/dbraw/zinc/42/58/21/455425821.db2.gz AAABUTHPLDMIDU-CVEARBPZSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093655 455425825 /nfs/dbraw/zinc/42/58/25/455425825.db2.gz AAABUTHPLDMIDU-CVEARBPZSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093655 455425830 /nfs/dbraw/zinc/42/58/30/455425830.db2.gz AAABUTHPLDMIDU-CVEARBPZSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093655 455425833 /nfs/dbraw/zinc/42/58/33/455425833.db2.gz AAABUTHPLDMIDU-CVEARBPZSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cc[nH+]1 ZINC000119877914 454231405 /nfs/dbraw/zinc/23/14/05/454231405.db2.gz FJLREIKQQDSGDI-UHFFFAOYSA-N 2 2 330.407 3.125 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071889266 454244548 /nfs/dbraw/zinc/24/45/48/454244548.db2.gz KEZWJPRLLMFHTA-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000078489129 454262719 /nfs/dbraw/zinc/26/27/19/454262719.db2.gz DZJGEIFDYCHUJI-GOSISDBHSA-N 2 2 349.906 3.031 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090547080 454318924 /nfs/dbraw/zinc/31/89/24/454318924.db2.gz ZPWACRWYLUIQCJ-UHFFFAOYSA-N 2 2 339.487 3.147 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000266704481 455438710 /nfs/dbraw/zinc/43/87/10/455438710.db2.gz DLBVMXTUVICCNX-CYBMUJFWSA-N 2 2 330.407 3.064 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000132281997 454327289 /nfs/dbraw/zinc/32/72/89/454327289.db2.gz BFZHMBITYBUUHW-UWJYYQICSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000132281997 454327296 /nfs/dbraw/zinc/32/72/96/454327296.db2.gz BFZHMBITYBUUHW-UWJYYQICSA-N 2 2 339.483 3.133 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cnn(C)c1 ZINC000090667919 454334113 /nfs/dbraw/zinc/33/41/13/454334113.db2.gz GRVPHYBBKODQOG-DNVCBOLYSA-N 2 2 327.476 3.081 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868280 454354200 /nfs/dbraw/zinc/35/42/00/454354200.db2.gz SLRUHIOIGCYQDM-BJLQDIEVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868280 454354202 /nfs/dbraw/zinc/35/42/02/454354202.db2.gz SLRUHIOIGCYQDM-BJLQDIEVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868280 454354205 /nfs/dbraw/zinc/35/42/05/454354205.db2.gz SLRUHIOIGCYQDM-BJLQDIEVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868280 454354208 /nfs/dbraw/zinc/35/42/08/454354208.db2.gz SLRUHIOIGCYQDM-BJLQDIEVSA-N 2 2 345.531 3.134 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000072966158 454371834 /nfs/dbraw/zinc/37/18/34/454371834.db2.gz ZDCYTXSTMJOHQF-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000072966158 454371838 /nfs/dbraw/zinc/37/18/38/454371838.db2.gz ZDCYTXSTMJOHQF-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000072966158 454371842 /nfs/dbraw/zinc/37/18/42/454371842.db2.gz ZDCYTXSTMJOHQF-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000072966158 454371845 /nfs/dbraw/zinc/37/18/45/454371845.db2.gz ZDCYTXSTMJOHQF-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP Cc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000047511373 454380402 /nfs/dbraw/zinc/38/04/02/454380402.db2.gz SCFPBKLEIAJFSQ-HOTGVXAUSA-N 2 2 340.471 3.315 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cn1 ZINC000091288656 454422973 /nfs/dbraw/zinc/42/29/73/454422973.db2.gz IKRUWAPANZVAOK-AWEZNQCLSA-N 2 2 346.438 3.313 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143790 454461973 /nfs/dbraw/zinc/46/19/73/454461973.db2.gz KDTDGGXCXCOJIC-KDOFPFPSSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143790 454461978 /nfs/dbraw/zinc/46/19/78/454461978.db2.gz KDTDGGXCXCOJIC-KDOFPFPSSA-N 2 2 346.421 3.035 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000121873613 454487286 /nfs/dbraw/zinc/48/72/86/454487286.db2.gz NWPUABXUHJKVLG-LPHOPBHVSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000121873613 454487288 /nfs/dbraw/zinc/48/72/88/454487288.db2.gz NWPUABXUHJKVLG-LPHOPBHVSA-N 2 2 338.455 3.422 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000634980811 460639547 /nfs/dbraw/zinc/63/95/47/460639547.db2.gz OBIUBDQTFRACED-QFBILLFUSA-N 2 2 332.451 3.382 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000634980811 460639552 /nfs/dbraw/zinc/63/95/52/460639552.db2.gz OBIUBDQTFRACED-QFBILLFUSA-N 2 2 332.451 3.382 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091960659 454496152 /nfs/dbraw/zinc/49/61/52/454496152.db2.gz QHIPPMNGVDIHDB-RHSMWYFYSA-N 2 2 329.444 3.292 20 0 EGADLP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091960659 454496157 /nfs/dbraw/zinc/49/61/57/454496157.db2.gz QHIPPMNGVDIHDB-RHSMWYFYSA-N 2 2 329.444 3.292 20 0 EGADLP CCOc1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)nn1CC(C)C ZINC000092071378 454516657 /nfs/dbraw/zinc/51/66/57/454516657.db2.gz XDXFFPQBFAEJRU-INIZCTEOSA-N 2 2 345.491 3.349 20 0 EGADLP CCOc1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)nn1CC(C)C ZINC000092071378 454516661 /nfs/dbraw/zinc/51/66/61/454516661.db2.gz XDXFFPQBFAEJRU-INIZCTEOSA-N 2 2 345.491 3.349 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000246222258 455451358 /nfs/dbraw/zinc/45/13/58/455451358.db2.gz QUHNOZKUCYQNJZ-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000246222258 455451362 /nfs/dbraw/zinc/45/13/62/455451362.db2.gz QUHNOZKUCYQNJZ-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000080339164 454568182 /nfs/dbraw/zinc/56/81/82/454568182.db2.gz BRNLZMORABICHX-HKUYNNGSSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000080339164 454568186 /nfs/dbraw/zinc/56/81/86/454568186.db2.gz BRNLZMORABICHX-HKUYNNGSSA-N 2 2 334.467 3.477 20 0 EGADLP COc1ccc([C@@H](C[NH2+]Cc2ccn(C)c2)[NH+]2CCCCC2)cc1 ZINC000122933363 454583331 /nfs/dbraw/zinc/58/33/31/454583331.db2.gz VKUISQHJFWZHHB-HXUWFJFHSA-N 2 2 327.472 3.351 20 0 EGADLP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587710 454590317 /nfs/dbraw/zinc/59/03/17/454590317.db2.gz CXQJTOPLAFKOAI-IBGZPJMESA-N 2 2 332.536 3.464 20 0 EGADLP CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587710 454590320 /nfs/dbraw/zinc/59/03/20/454590320.db2.gz CXQJTOPLAFKOAI-IBGZPJMESA-N 2 2 332.536 3.464 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)[N@H+]1CCc2ccccc2C1 ZINC000123132194 454605838 /nfs/dbraw/zinc/60/58/38/454605838.db2.gz PUGNHVATRVPTJK-ICSRJNTNSA-N 2 2 338.499 3.224 20 0 EGADLP Cc1ccccc1C[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051114740 454608593 /nfs/dbraw/zinc/60/85/93/454608593.db2.gz HVAJGGLYNKJHOC-IBGZPJMESA-N 2 2 337.467 3.454 20 0 EGADLP Cc1ccccc1C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051114740 454608596 /nfs/dbraw/zinc/60/85/96/454608596.db2.gz HVAJGGLYNKJHOC-IBGZPJMESA-N 2 2 337.467 3.454 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000106213813 454685791 /nfs/dbraw/zinc/68/57/91/454685791.db2.gz GAFJJPKFFPBDFA-IKJBURDNSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000106213813 454685796 /nfs/dbraw/zinc/68/57/96/454685796.db2.gz GAFJJPKFFPBDFA-IKJBURDNSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000106216533 454687126 /nfs/dbraw/zinc/68/71/26/454687126.db2.gz NRGUOUYHCXDTNM-WNRNVDISSA-N 2 2 346.519 3.023 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000106216533 454687131 /nfs/dbraw/zinc/68/71/31/454687131.db2.gz NRGUOUYHCXDTNM-WNRNVDISSA-N 2 2 346.519 3.023 20 0 EGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106543278 454700313 /nfs/dbraw/zinc/70/03/13/454700313.db2.gz GZSLRQBYFVMCQQ-JKSUJKDBSA-N 2 2 347.507 3.157 20 0 EGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106543278 454700314 /nfs/dbraw/zinc/70/03/14/454700314.db2.gz GZSLRQBYFVMCQQ-JKSUJKDBSA-N 2 2 347.507 3.157 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000124359408 454722773 /nfs/dbraw/zinc/72/27/73/454722773.db2.gz SVLZJEHXPJNFQA-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000124359408 454722775 /nfs/dbraw/zinc/72/27/75/454722775.db2.gz SVLZJEHXPJNFQA-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124387188 454727154 /nfs/dbraw/zinc/72/71/54/454727154.db2.gz SYSWUCXSZDBDNF-HKUYNNGSSA-N 2 2 342.487 3.251 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124387188 454727156 /nfs/dbraw/zinc/72/71/56/454727156.db2.gz SYSWUCXSZDBDNF-HKUYNNGSSA-N 2 2 342.487 3.251 20 0 EGADLP CC[NH+](CC)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000152858540 454734263 /nfs/dbraw/zinc/73/42/63/454734263.db2.gz BVDCLMMZVZHDCK-UHFFFAOYSA-N 2 2 341.902 3.375 20 0 EGADLP Clc1nc2ccccn2c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865754 454741245 /nfs/dbraw/zinc/74/12/45/454741245.db2.gz VRSPOUQDSQGMJL-CQSZACIVSA-N 2 2 328.803 3.036 20 0 EGADLP Clc1nc2ccccn2c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865754 454741251 /nfs/dbraw/zinc/74/12/51/454741251.db2.gz VRSPOUQDSQGMJL-CQSZACIVSA-N 2 2 328.803 3.036 20 0 EGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccncc3)CC2)c1 ZINC000107318845 454751572 /nfs/dbraw/zinc/75/15/72/454751572.db2.gz OBURLWLUDLLLGO-UHFFFAOYSA-N 2 2 344.890 3.037 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000136913998 454761128 /nfs/dbraw/zinc/76/11/28/454761128.db2.gz VSKQWKNJHDADRB-PCUGXKRQSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000162256601 454762521 /nfs/dbraw/zinc/76/25/21/454762521.db2.gz UAYMSKSYDNVVRJ-HNNXBMFYSA-N 2 2 346.438 3.276 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000162256730 454762623 /nfs/dbraw/zinc/76/26/23/454762623.db2.gz UAYMSKSYDNVVRJ-OAHLLOKOSA-N 2 2 346.438 3.276 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153275069 454777464 /nfs/dbraw/zinc/77/74/64/454777464.db2.gz TXEQPWKJTUTKHT-KGLIPLIRSA-N 2 2 339.549 3.368 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)ccc2c1 ZINC000153336932 454783968 /nfs/dbraw/zinc/78/39/68/454783968.db2.gz ZMJSVEVLDUUFDB-IAGOWNOFSA-N 2 2 342.483 3.467 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000162684480 454793658 /nfs/dbraw/zinc/79/36/58/454793658.db2.gz XXQUKNDFXPXPTA-RDJZCZTQSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000162684480 454793661 /nfs/dbraw/zinc/79/36/61/454793661.db2.gz XXQUKNDFXPXPTA-RDJZCZTQSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000162726252 454796648 /nfs/dbraw/zinc/79/66/48/454796648.db2.gz UQPBLGKNXGWEAN-KXBFYZLASA-N 2 2 341.455 3.312 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000162726252 454796650 /nfs/dbraw/zinc/79/66/50/454796650.db2.gz UQPBLGKNXGWEAN-KXBFYZLASA-N 2 2 341.455 3.312 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872856 454812859 /nfs/dbraw/zinc/81/28/59/454812859.db2.gz ADCAIEKHXCVQLE-XLIONFOSSA-N 2 2 337.467 3.194 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872856 454812862 /nfs/dbraw/zinc/81/28/62/454812862.db2.gz ADCAIEKHXCVQLE-XLIONFOSSA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872856 454812863 /nfs/dbraw/zinc/81/28/63/454812863.db2.gz ADCAIEKHXCVQLE-XLIONFOSSA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872856 454812868 /nfs/dbraw/zinc/81/28/68/454812868.db2.gz ADCAIEKHXCVQLE-XLIONFOSSA-N 2 2 337.467 3.194 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC3(c4ccccc4)CC3)c12 ZINC000162987237 454815051 /nfs/dbraw/zinc/81/50/51/454815051.db2.gz XXLMPQDRQDPOPT-UHFFFAOYSA-N 2 2 342.406 3.354 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000109792220 454836540 /nfs/dbraw/zinc/83/65/40/454836540.db2.gz YMWKIJDHQYUEEN-KRWDZBQOSA-N 2 2 340.471 3.014 20 0 EGADLP Clc1ccccc1-c1nnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000109794745 454837191 /nfs/dbraw/zinc/83/71/91/454837191.db2.gz AIWXPQMXJHDPCF-UHFFFAOYSA-N 2 2 343.818 3.424 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793826 454837523 /nfs/dbraw/zinc/83/75/23/454837523.db2.gz GNVOMBGMSWDEJA-LBPRGKRZSA-N 2 2 329.429 3.393 20 0 EGADLP COCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000125769854 454845301 /nfs/dbraw/zinc/84/53/01/454845301.db2.gz XSWKEGHAJYDDCS-UHFFFAOYSA-N 2 2 332.419 3.319 20 0 EGADLP CCOc1ccccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153990319 454854307 /nfs/dbraw/zinc/85/43/07/454854307.db2.gz GVUFJVJFBGRMGQ-RTBURBONSA-N 2 2 345.531 3.076 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000163847647 454867327 /nfs/dbraw/zinc/86/73/27/454867327.db2.gz NOVYJTFUIMDCAB-KRWDZBQOSA-N 2 2 331.504 3.045 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000163847647 454867329 /nfs/dbraw/zinc/86/73/29/454867329.db2.gz NOVYJTFUIMDCAB-KRWDZBQOSA-N 2 2 331.504 3.045 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000126080920 454869849 /nfs/dbraw/zinc/86/98/49/454869849.db2.gz FQYKBUPFRFBDRW-MRXNPFEDSA-N 2 2 335.458 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000126080920 454869850 /nfs/dbraw/zinc/86/98/50/454869850.db2.gz FQYKBUPFRFBDRW-MRXNPFEDSA-N 2 2 335.458 3.257 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000164504895 454883143 /nfs/dbraw/zinc/88/31/43/454883143.db2.gz ROXHKTKTXXJENZ-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000164504895 454883147 /nfs/dbraw/zinc/88/31/47/454883147.db2.gz ROXHKTKTXXJENZ-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000164504895 454883151 /nfs/dbraw/zinc/88/31/51/454883151.db2.gz ROXHKTKTXXJENZ-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164504895 454883153 /nfs/dbraw/zinc/88/31/53/454883153.db2.gz ROXHKTKTXXJENZ-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000154304489 454883469 /nfs/dbraw/zinc/88/34/69/454883469.db2.gz ZJWNWXJRMOTRPZ-XLIONFOSSA-N 2 2 328.456 3.442 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309853 454898157 /nfs/dbraw/zinc/89/81/57/454898157.db2.gz RIPLJFWZMYRCKA-GJZGRUSLSA-N 2 2 345.466 3.097 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000126489645 454898333 /nfs/dbraw/zinc/89/83/33/454898333.db2.gz PBRXTAQIYSIGJS-ZDUSSCGKSA-N 2 2 336.395 3.155 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000165350283 454899281 /nfs/dbraw/zinc/89/92/81/454899281.db2.gz XSGNTNVLLQSEOK-SJORKVTESA-N 2 2 326.444 3.323 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000167860517 454923837 /nfs/dbraw/zinc/92/38/37/454923837.db2.gz IBIFFKMNMZHPTO-OAHLLOKOSA-N 2 2 339.474 3.435 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](CC4CCCC4)C3)CC2)nc1 ZINC000154765464 454927703 /nfs/dbraw/zinc/92/77/03/454927703.db2.gz HBVDSLFIZSSSRU-HXUWFJFHSA-N 2 2 342.531 3.106 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](CC4CCCC4)C3)CC2)nc1 ZINC000154765464 454927704 /nfs/dbraw/zinc/92/77/04/454927704.db2.gz HBVDSLFIZSSSRU-HXUWFJFHSA-N 2 2 342.531 3.106 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000154830510 454933790 /nfs/dbraw/zinc/93/37/90/454933790.db2.gz IQUVPQFPSGHIPH-ZDUSSCGKSA-N 2 2 325.522 3.336 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114380536 454952369 /nfs/dbraw/zinc/95/23/69/454952369.db2.gz UYSBMPNTHHOLAL-CQSZACIVSA-N 2 2 345.830 3.351 20 0 EGADLP C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114380536 454952373 /nfs/dbraw/zinc/95/23/73/454952373.db2.gz UYSBMPNTHHOLAL-CQSZACIVSA-N 2 2 345.830 3.351 20 0 EGADLP CCCCCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155511256 455009908 /nfs/dbraw/zinc/00/99/08/455009908.db2.gz SRGSVABNTNJAHL-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP CCCCCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155511256 455009910 /nfs/dbraw/zinc/00/99/10/455009910.db2.gz SRGSVABNTNJAHL-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP Cc1cc(N2CCC(Nc3[nH+]c4ccccc4n3C)CC2)nc(C)[nH+]1 ZINC000179313430 455031538 /nfs/dbraw/zinc/03/15/38/455031538.db2.gz BQPGEJDLHIOUGE-UHFFFAOYSA-N 2 2 336.443 3.061 20 0 EGADLP Clc1ccccc1C[NH+]1CCC(NCC[NH+]2CCCCC2)CC1 ZINC000128232082 455036998 /nfs/dbraw/zinc/03/69/98/455036998.db2.gz PYQVWYWLWOJTRO-UHFFFAOYSA-N 2 2 335.923 3.380 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000156146275 455087102 /nfs/dbraw/zinc/08/71/02/455087102.db2.gz JAIVSUIDZGMEFO-AAEUAGOBSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000156146275 455087104 /nfs/dbraw/zinc/08/71/04/455087104.db2.gz JAIVSUIDZGMEFO-AAEUAGOBSA-N 2 2 327.266 3.030 20 0 EGADLP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000156278771 455100187 /nfs/dbraw/zinc/10/01/87/455100187.db2.gz JUAXHKHJUAQGAV-GHTZIAJQSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000156278771 455100188 /nfs/dbraw/zinc/10/01/88/455100188.db2.gz JUAXHKHJUAQGAV-GHTZIAJQSA-N 2 2 339.483 3.269 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179956188 455105836 /nfs/dbraw/zinc/10/58/36/455105836.db2.gz MTHOOTDHHUQYBX-SFHVURJKSA-N 2 2 348.450 3.119 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179956188 455105840 /nfs/dbraw/zinc/10/58/40/455105840.db2.gz MTHOOTDHHUQYBX-SFHVURJKSA-N 2 2 348.450 3.119 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129382723 455109159 /nfs/dbraw/zinc/10/91/59/455109159.db2.gz KQBCXPAXZGVMJL-DNVCBOLYSA-N 2 2 342.487 3.477 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129382723 455109164 /nfs/dbraw/zinc/10/91/64/455109164.db2.gz KQBCXPAXZGVMJL-DNVCBOLYSA-N 2 2 342.487 3.477 20 0 EGADLP c1cc(-c2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cs2)co1 ZINC000156370645 455110699 /nfs/dbraw/zinc/11/06/99/455110699.db2.gz SDGQRQLRTKFQNF-MRXNPFEDSA-N 2 2 327.409 3.451 20 0 EGADLP c1cc(-c2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cs2)co1 ZINC000156370645 455110700 /nfs/dbraw/zinc/11/07/00/455110700.db2.gz SDGQRQLRTKFQNF-MRXNPFEDSA-N 2 2 327.409 3.451 20 0 EGADLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842530 455113237 /nfs/dbraw/zinc/11/32/37/455113237.db2.gz BPMHCNWMLSWPPQ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842530 455113240 /nfs/dbraw/zinc/11/32/40/455113240.db2.gz BPMHCNWMLSWPPQ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842530 455113243 /nfs/dbraw/zinc/11/32/43/455113243.db2.gz BPMHCNWMLSWPPQ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842530 455113244 /nfs/dbraw/zinc/11/32/44/455113244.db2.gz BPMHCNWMLSWPPQ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832915 455113372 /nfs/dbraw/zinc/11/33/72/455113372.db2.gz CZKKHVOBYNXOKV-RBUKOAKNSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832915 455113375 /nfs/dbraw/zinc/11/33/75/455113375.db2.gz CZKKHVOBYNXOKV-RBUKOAKNSA-N 2 2 349.563 3.268 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000119192690 455130855 /nfs/dbraw/zinc/13/08/55/455130855.db2.gz KZHNXLABBJEGKI-GGPKGHCWSA-N 2 2 345.531 3.295 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000156642077 455140961 /nfs/dbraw/zinc/14/09/61/455140961.db2.gz KQUYIZLSZZLQLZ-LBDPXKHJSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000156642077 455140962 /nfs/dbraw/zinc/14/09/62/455140962.db2.gz KQUYIZLSZZLQLZ-LBDPXKHJSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000156952766 455158616 /nfs/dbraw/zinc/15/86/16/455158616.db2.gz HXCXXJZYZPWEGE-FXAWDEMLSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC000156952766 455158618 /nfs/dbraw/zinc/15/86/18/455158618.db2.gz HXCXXJZYZPWEGE-FXAWDEMLSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156952766 455158621 /nfs/dbraw/zinc/15/86/21/455158621.db2.gz HXCXXJZYZPWEGE-FXAWDEMLSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156952766 455158622 /nfs/dbraw/zinc/15/86/22/455158622.db2.gz HXCXXJZYZPWEGE-FXAWDEMLSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000237335120 455173990 /nfs/dbraw/zinc/17/39/90/455173990.db2.gz GZBIMRYSGYSOHQ-IBGZPJMESA-N 3 2 329.532 3.015 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+]2CCCC2)c1 ZINC000157486756 455199049 /nfs/dbraw/zinc/19/90/49/455199049.db2.gz BWSGDCVQKNRCBA-PXNSSMCTSA-N 2 2 342.487 3.097 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157494298 455199763 /nfs/dbraw/zinc/19/97/63/455199763.db2.gz HQJIHZXONVHKAW-XLIONFOSSA-N 2 2 342.487 3.097 20 0 EGADLP COc1cccc([C@@H](C[NH2+]C2CC(OC(C)C)C2)[NH+]2CCCC2)c1 ZINC000189514075 455211027 /nfs/dbraw/zinc/21/10/27/455211027.db2.gz VQLSBCTYHMVLIN-LYBXBRPPSA-N 2 2 332.488 3.378 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158192063 455278287 /nfs/dbraw/zinc/27/82/87/455278287.db2.gz QFWNDZVXRRUNDP-UKRRQHHQSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158192063 455278290 /nfs/dbraw/zinc/27/82/90/455278290.db2.gz QFWNDZVXRRUNDP-UKRRQHHQSA-N 2 2 347.894 3.222 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347337 455280776 /nfs/dbraw/zinc/28/07/76/455280776.db2.gz MPYCEWBULTUGEG-YWZLYKJASA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347337 455280782 /nfs/dbraw/zinc/28/07/82/455280782.db2.gz MPYCEWBULTUGEG-YWZLYKJASA-N 2 2 325.431 3.384 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442762 455301480 /nfs/dbraw/zinc/30/14/80/455301480.db2.gz IHMYMNLVRZOFNM-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442762 455301482 /nfs/dbraw/zinc/30/14/82/455301482.db2.gz IHMYMNLVRZOFNM-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442762 455301487 /nfs/dbraw/zinc/30/14/87/455301487.db2.gz IHMYMNLVRZOFNM-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442762 455301490 /nfs/dbraw/zinc/30/14/90/455301490.db2.gz IHMYMNLVRZOFNM-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245466159 455308783 /nfs/dbraw/zinc/30/87/83/455308783.db2.gz YWADARVUUKAXGV-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245466159 455308785 /nfs/dbraw/zinc/30/87/85/455308785.db2.gz YWADARVUUKAXGV-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245466159 455308786 /nfs/dbraw/zinc/30/87/86/455308786.db2.gz YWADARVUUKAXGV-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245466159 455308787 /nfs/dbraw/zinc/30/87/87/455308787.db2.gz YWADARVUUKAXGV-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245585077 455335305 /nfs/dbraw/zinc/33/53/05/455335305.db2.gz JAGOGSXKYWLULK-FOIQADDNSA-N 2 2 343.446 3.230 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245585077 455335306 /nfs/dbraw/zinc/33/53/06/455335306.db2.gz JAGOGSXKYWLULK-FOIQADDNSA-N 2 2 343.446 3.230 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158928115 455338339 /nfs/dbraw/zinc/33/83/39/455338339.db2.gz VZPPTTSJSYNWJH-QAPCUYQASA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158928115 455338344 /nfs/dbraw/zinc/33/83/44/455338344.db2.gz VZPPTTSJSYNWJH-QAPCUYQASA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158928115 455338350 /nfs/dbraw/zinc/33/83/50/455338350.db2.gz VZPPTTSJSYNWJH-QAPCUYQASA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158928115 455338353 /nfs/dbraw/zinc/33/83/53/455338353.db2.gz VZPPTTSJSYNWJH-QAPCUYQASA-N 2 2 329.419 3.397 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901094 455338778 /nfs/dbraw/zinc/33/87/78/455338778.db2.gz KKBUJAHDSKJAQY-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901094 455338785 /nfs/dbraw/zinc/33/87/85/455338785.db2.gz KKBUJAHDSKJAQY-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901094 455338790 /nfs/dbraw/zinc/33/87/90/455338790.db2.gz KKBUJAHDSKJAQY-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901094 455338794 /nfs/dbraw/zinc/33/87/94/455338794.db2.gz KKBUJAHDSKJAQY-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000245607067 455340239 /nfs/dbraw/zinc/34/02/39/455340239.db2.gz AJUOTKDDSJZCLO-LPHOPBHVSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000245607067 455340245 /nfs/dbraw/zinc/34/02/45/455340245.db2.gz AJUOTKDDSJZCLO-LPHOPBHVSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000245607067 455340249 /nfs/dbraw/zinc/34/02/49/455340249.db2.gz AJUOTKDDSJZCLO-LPHOPBHVSA-N 2 2 346.446 3.061 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000159035474 455346352 /nfs/dbraw/zinc/34/63/52/455346352.db2.gz HZOIEDLEDHPPRP-HNNXBMFYSA-N 2 2 332.492 3.424 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000159035474 455346357 /nfs/dbraw/zinc/34/63/57/455346357.db2.gz HZOIEDLEDHPPRP-HNNXBMFYSA-N 2 2 332.492 3.424 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)O[C@H](C)C2 ZINC000245716246 455362495 /nfs/dbraw/zinc/36/24/95/455362495.db2.gz HACVIDPSUYUPKS-SJORKVTESA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)O[C@H](C)C2 ZINC000245716246 455362502 /nfs/dbraw/zinc/36/25/02/455362502.db2.gz HACVIDPSUYUPKS-SJORKVTESA-N 2 2 344.499 3.326 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246112702 455429703 /nfs/dbraw/zinc/42/97/03/455429703.db2.gz FJOARMBOJBLBIV-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246112702 455429707 /nfs/dbraw/zinc/42/97/07/455429707.db2.gz FJOARMBOJBLBIV-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246112702 455429710 /nfs/dbraw/zinc/42/97/10/455429710.db2.gz FJOARMBOJBLBIV-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246112702 455429715 /nfs/dbraw/zinc/42/97/15/455429715.db2.gz FJOARMBOJBLBIV-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP Cc1occc1C[NH+](C)CC1(C[N@H+](C)Cc2ccoc2C)COC1 ZINC000182083278 455431943 /nfs/dbraw/zinc/43/19/43/455431943.db2.gz NQKMAZCRPAJZSS-UHFFFAOYSA-N 2 2 332.444 3.070 20 0 EGADLP Cc1occc1C[NH+](C)CC1(C[N@@H+](C)Cc2ccoc2C)COC1 ZINC000182083278 455431947 /nfs/dbraw/zinc/43/19/47/455431947.db2.gz NQKMAZCRPAJZSS-UHFFFAOYSA-N 2 2 332.444 3.070 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000182090045 455432630 /nfs/dbraw/zinc/43/26/30/455432630.db2.gz UAIKRGKGMYLYJC-GOSISDBHSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000182090045 455432632 /nfs/dbraw/zinc/43/26/32/455432632.db2.gz UAIKRGKGMYLYJC-GOSISDBHSA-N 2 2 335.455 3.061 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246274778 455462859 /nfs/dbraw/zinc/46/28/59/455462859.db2.gz AZHWCDWHTMSSOZ-NUJGCVRESA-N 2 2 347.503 3.002 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246274778 455462863 /nfs/dbraw/zinc/46/28/63/455462863.db2.gz AZHWCDWHTMSSOZ-NUJGCVRESA-N 2 2 347.503 3.002 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246484242 455499013 /nfs/dbraw/zinc/49/90/13/455499013.db2.gz GSNWYNPAQWZKMV-LNLFQRSKSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246484242 455499019 /nfs/dbraw/zinc/49/90/19/455499019.db2.gz GSNWYNPAQWZKMV-LNLFQRSKSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246484242 455499021 /nfs/dbraw/zinc/49/90/21/455499021.db2.gz GSNWYNPAQWZKMV-LNLFQRSKSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246484242 455499027 /nfs/dbraw/zinc/49/90/27/455499027.db2.gz GSNWYNPAQWZKMV-LNLFQRSKSA-N 2 2 335.536 3.020 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1nccn1C ZINC000182485632 455522834 /nfs/dbraw/zinc/52/28/34/455522834.db2.gz XNHCANOOTWRZFH-IBGZPJMESA-N 2 2 326.488 3.434 20 0 EGADLP c1cc(CNc2cc[nH+]c3ccncc23)cc(C[NH+]2CCOCC2)c1 ZINC000267264247 455527362 /nfs/dbraw/zinc/52/73/62/455527362.db2.gz XSBWDQKKOXEZEF-UHFFFAOYSA-N 2 2 334.423 3.074 20 0 EGADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000192074008 455553016 /nfs/dbraw/zinc/55/30/16/455553016.db2.gz ORDDMGGWIGGCGG-HOTGVXAUSA-N 2 2 346.523 3.046 20 0 EGADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000192074008 455553021 /nfs/dbraw/zinc/55/30/21/455553021.db2.gz ORDDMGGWIGGCGG-HOTGVXAUSA-N 2 2 346.523 3.046 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000247083121 455556883 /nfs/dbraw/zinc/55/68/83/455556883.db2.gz NPQCASRWBYCWHY-TXJVSEOTSA-N 2 2 331.504 3.085 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000247083121 455556884 /nfs/dbraw/zinc/55/68/84/455556884.db2.gz NPQCASRWBYCWHY-TXJVSEOTSA-N 2 2 331.504 3.085 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000185485914 455564698 /nfs/dbraw/zinc/56/46/98/455564698.db2.gz IFKUYKKCFOEDFT-CQSZACIVSA-N 2 2 343.500 3.243 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247167925 455568171 /nfs/dbraw/zinc/56/81/71/455568171.db2.gz SMAOISVPNUZILH-BEFAXECRSA-N 2 2 342.487 3.195 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247167925 455568173 /nfs/dbraw/zinc/56/81/73/455568173.db2.gz SMAOISVPNUZILH-BEFAXECRSA-N 2 2 342.487 3.195 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214513 455574230 /nfs/dbraw/zinc/57/42/30/455574230.db2.gz WAFWHEJAUVMQLN-WFASDCNBSA-N 2 2 328.403 3.117 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@@H](C)C1 ZINC000247214513 455574231 /nfs/dbraw/zinc/57/42/31/455574231.db2.gz WAFWHEJAUVMQLN-WFASDCNBSA-N 2 2 328.403 3.117 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1 ZINC000185674681 455593605 /nfs/dbraw/zinc/59/36/05/455593605.db2.gz FKBZZZKXCMQIGQ-MGPUTAFESA-N 2 2 328.456 3.485 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355721 455595725 /nfs/dbraw/zinc/59/57/25/455595725.db2.gz GHNRNSOZPQWFDH-SFHVURJKSA-N 2 2 330.497 3.437 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355721 455595731 /nfs/dbraw/zinc/59/57/31/455595731.db2.gz GHNRNSOZPQWFDH-SFHVURJKSA-N 2 2 330.497 3.437 20 0 EGADLP COC1CCC([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000283991000 455621074 /nfs/dbraw/zinc/62/10/74/455621074.db2.gz GENUPOCZDWWTRH-XVAXZDLZSA-N 2 2 346.515 3.167 20 0 EGADLP COC1CCC([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000283991000 455621077 /nfs/dbraw/zinc/62/10/77/455621077.db2.gz GENUPOCZDWWTRH-XVAXZDLZSA-N 2 2 346.515 3.167 20 0 EGADLP COC1CCC([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283991000 455621083 /nfs/dbraw/zinc/62/10/83/455621083.db2.gz GENUPOCZDWWTRH-XVAXZDLZSA-N 2 2 346.515 3.167 20 0 EGADLP COC1CCC([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283991000 455621089 /nfs/dbraw/zinc/62/10/89/455621089.db2.gz GENUPOCZDWWTRH-XVAXZDLZSA-N 2 2 346.515 3.167 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000247560467 455624709 /nfs/dbraw/zinc/62/47/09/455624709.db2.gz GAFJJPKFFPBDFA-GPQLOAJWSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000247560467 455624712 /nfs/dbraw/zinc/62/47/12/455624712.db2.gz GAFJJPKFFPBDFA-GPQLOAJWSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000247915680 455654665 /nfs/dbraw/zinc/65/46/65/455654665.db2.gz BATDHNVPVFJCME-VQTJNVASSA-N 2 2 346.434 3.048 20 0 EGADLP C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000247915680 455654670 /nfs/dbraw/zinc/65/46/70/455654670.db2.gz BATDHNVPVFJCME-VQTJNVASSA-N 2 2 346.434 3.048 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247951613 455658778 /nfs/dbraw/zinc/65/87/78/455658778.db2.gz FBKFMNDMAWWWCO-MJGOQNOKSA-N 2 2 333.520 3.213 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247951613 455658785 /nfs/dbraw/zinc/65/87/85/455658785.db2.gz FBKFMNDMAWWWCO-MJGOQNOKSA-N 2 2 333.520 3.213 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178128 455694880 /nfs/dbraw/zinc/69/48/80/455694880.db2.gz VZPPTTSJSYNWJH-MAUKXSAKSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178128 455694885 /nfs/dbraw/zinc/69/48/85/455694885.db2.gz VZPPTTSJSYNWJH-MAUKXSAKSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178128 455694889 /nfs/dbraw/zinc/69/48/89/455694889.db2.gz VZPPTTSJSYNWJH-MAUKXSAKSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178128 455694894 /nfs/dbraw/zinc/69/48/94/455694894.db2.gz VZPPTTSJSYNWJH-MAUKXSAKSA-N 2 2 329.419 3.397 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000192924213 455719937 /nfs/dbraw/zinc/71/99/37/455719937.db2.gz QYYMUHKADKVNMH-OAQYLSRUSA-N 3 2 346.478 3.484 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000192924213 455719941 /nfs/dbraw/zinc/71/99/41/455719941.db2.gz QYYMUHKADKVNMH-OAQYLSRUSA-N 3 2 346.478 3.484 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000268895910 455721525 /nfs/dbraw/zinc/72/15/25/455721525.db2.gz VNJBUIRVXHQAKR-UHFFFAOYSA-N 3 2 341.543 3.158 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268941628 455737677 /nfs/dbraw/zinc/73/76/77/455737677.db2.gz VOOSWYISOMVXFX-OAHLLOKOSA-N 2 2 344.478 3.225 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000268947723 455740823 /nfs/dbraw/zinc/74/08/23/455740823.db2.gz BRFGJXQLIUQYBL-AYOQOUSVSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)C[N@H+]1Cc1ccccc1 ZINC000268947723 455740828 /nfs/dbraw/zinc/74/08/28/455740828.db2.gz BRFGJXQLIUQYBL-AYOQOUSVSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950654 455741516 /nfs/dbraw/zinc/74/15/16/455741516.db2.gz VBVIJVJBZLHUID-LSDHHAIUSA-N 2 2 347.503 3.451 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950654 455741522 /nfs/dbraw/zinc/74/15/22/455741522.db2.gz VBVIJVJBZLHUID-LSDHHAIUSA-N 2 2 347.503 3.451 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000268962929 455746777 /nfs/dbraw/zinc/74/67/77/455746777.db2.gz XRPIBEZYHZKPQO-FGZHOGPDSA-N 2 2 337.511 3.196 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000268962929 455746784 /nfs/dbraw/zinc/74/67/84/455746784.db2.gz XRPIBEZYHZKPQO-FGZHOGPDSA-N 2 2 337.511 3.196 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271788070 455759468 /nfs/dbraw/zinc/75/94/68/455759468.db2.gz WJJOCPVHIWZUEI-QAPCUYQASA-N 2 2 327.428 3.209 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024950 455766200 /nfs/dbraw/zinc/76/62/00/455766200.db2.gz REBKNTLXHLPZRR-IGGJEDBVSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024950 455766203 /nfs/dbraw/zinc/76/62/03/455766203.db2.gz REBKNTLXHLPZRR-IGGJEDBVSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000269068382 455781338 /nfs/dbraw/zinc/78/13/38/455781338.db2.gz WGRAFYAZGPVUJA-IPELMVKDSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000269068382 455781341 /nfs/dbraw/zinc/78/13/41/455781341.db2.gz WGRAFYAZGPVUJA-IPELMVKDSA-N 2 2 330.497 3.282 20 0 EGADLP CCc1nc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cs1 ZINC000269139599 455797398 /nfs/dbraw/zinc/79/73/98/455797398.db2.gz LLZBYSUDKDDGCV-UHFFFAOYSA-N 2 2 345.516 3.243 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(CO)c1 ZINC000271971365 455808840 /nfs/dbraw/zinc/80/88/40/455808840.db2.gz NGAPCBQNGLKZKO-IRXDYDNUSA-N 2 2 339.483 3.450 20 0 EGADLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1C ZINC000194231184 455818127 /nfs/dbraw/zinc/81/81/27/455818127.db2.gz SOYVUSUBUSJKID-UHFFFAOYSA-N 2 2 340.467 3.126 20 0 EGADLP CC(C)[C@H]([NH3+])CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000269280601 455827472 /nfs/dbraw/zinc/82/74/72/455827472.db2.gz QJWVMXVYUWNCRH-OAHLLOKOSA-N 2 2 333.819 3.240 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846240 /nfs/dbraw/zinc/84/62/40/455846240.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846244 /nfs/dbraw/zinc/84/62/44/455846244.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000186875649 455846251 /nfs/dbraw/zinc/84/62/51/455846251.db2.gz GAYHQLPOQVPIQG-QMMLZNLJSA-N 3 2 329.532 3.217 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285519556 455862851 /nfs/dbraw/zinc/86/28/51/455862851.db2.gz OGDGRGYIVVODJC-JWTNVVGKSA-N 2 2 329.488 3.053 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285519556 455862855 /nfs/dbraw/zinc/86/28/55/455862855.db2.gz OGDGRGYIVVODJC-JWTNVVGKSA-N 2 2 329.488 3.053 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285519556 455862856 /nfs/dbraw/zinc/86/28/56/455862856.db2.gz OGDGRGYIVVODJC-JWTNVVGKSA-N 2 2 329.488 3.053 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285519556 455862858 /nfs/dbraw/zinc/86/28/58/455862858.db2.gz OGDGRGYIVVODJC-JWTNVVGKSA-N 2 2 329.488 3.053 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000620595163 460698809 /nfs/dbraw/zinc/69/88/09/460698809.db2.gz JGJNCPAUECLIHC-OAHLLOKOSA-N 2 2 328.460 3.143 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000620595163 460698813 /nfs/dbraw/zinc/69/88/13/460698813.db2.gz JGJNCPAUECLIHC-OAHLLOKOSA-N 2 2 328.460 3.143 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCS2 ZINC000187229688 455885019 /nfs/dbraw/zinc/88/50/19/455885019.db2.gz SXWDPWDVCFFJKP-KDOFPFPSSA-N 2 2 334.529 3.398 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104275 455892871 /nfs/dbraw/zinc/89/28/71/455892871.db2.gz BOJNSXZMNSLRDF-HNNXBMFYSA-N 2 2 347.894 3.084 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104275 455892877 /nfs/dbraw/zinc/89/28/77/455892877.db2.gz BOJNSXZMNSLRDF-HNNXBMFYSA-N 2 2 347.894 3.084 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104275 455892881 /nfs/dbraw/zinc/89/28/81/455892881.db2.gz BOJNSXZMNSLRDF-HNNXBMFYSA-N 2 2 347.894 3.084 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280104275 455892886 /nfs/dbraw/zinc/89/28/86/455892886.db2.gz BOJNSXZMNSLRDF-HNNXBMFYSA-N 2 2 347.894 3.084 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285727005 455905665 /nfs/dbraw/zinc/90/56/65/455905665.db2.gz XGYUZTDCOUFUEL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285727005 455905668 /nfs/dbraw/zinc/90/56/68/455905668.db2.gz XGYUZTDCOUFUEL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285727005 455905674 /nfs/dbraw/zinc/90/56/74/455905674.db2.gz XGYUZTDCOUFUEL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285727005 455905679 /nfs/dbraw/zinc/90/56/79/455905679.db2.gz XGYUZTDCOUFUEL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP CCC(CC)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCC1 ZINC000194977339 455907802 /nfs/dbraw/zinc/90/78/02/455907802.db2.gz NMCIZVLOGBLATE-OALUTQOASA-N 2 2 341.503 3.384 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970434 455908188 /nfs/dbraw/zinc/90/81/88/455908188.db2.gz SOPHBIZYYYDMQS-LAUBAEHRSA-N 2 2 340.467 3.334 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970434 455908192 /nfs/dbraw/zinc/90/81/92/455908192.db2.gz SOPHBIZYYYDMQS-LAUBAEHRSA-N 2 2 340.467 3.334 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)CC(C)C ZINC000194977641 455908673 /nfs/dbraw/zinc/90/86/73/455908673.db2.gz FESWEGSNUQHDID-ROUUACIJSA-N 2 2 329.492 3.240 20 0 EGADLP CSc1ccc(OCC[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261610425 455912710 /nfs/dbraw/zinc/91/27/10/455912710.db2.gz BUHDBHXTPKBWKY-RBUKOAKNSA-N 2 2 328.481 3.214 20 0 EGADLP CSc1ccc(OCC[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261610425 455912714 /nfs/dbraw/zinc/91/27/14/455912714.db2.gz BUHDBHXTPKBWKY-RBUKOAKNSA-N 2 2 328.481 3.214 20 0 EGADLP CCC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000261606546 455912722 /nfs/dbraw/zinc/91/27/22/455912722.db2.gz CYJVBWUKMHPYSC-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000261606546 455912724 /nfs/dbraw/zinc/91/27/24/455912724.db2.gz CYJVBWUKMHPYSC-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP Cc1nc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cs1 ZINC000272326796 455914158 /nfs/dbraw/zinc/91/41/58/455914158.db2.gz XCHOIKMOBBXMIQ-WFASDCNBSA-N 2 2 331.489 3.160 20 0 EGADLP C[C@H](CCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195051727 455915890 /nfs/dbraw/zinc/91/58/90/455915890.db2.gz NKUYYLKMLATUBA-XLIONFOSSA-N 2 2 349.482 3.394 20 0 EGADLP C[C@H](CCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195051727 455915893 /nfs/dbraw/zinc/91/58/93/455915893.db2.gz NKUYYLKMLATUBA-XLIONFOSSA-N 2 2 349.482 3.394 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000195098042 455920850 /nfs/dbraw/zinc/92/08/50/455920850.db2.gz VVOHMMBSSXJSSM-KDOFPFPSSA-N 2 2 335.467 3.193 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811470 455921250 /nfs/dbraw/zinc/92/12/50/455921250.db2.gz VUURTIHRDBRNIK-PZJWPPBQSA-N 2 2 339.483 3.448 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811470 455921257 /nfs/dbraw/zinc/92/12/57/455921257.db2.gz VUURTIHRDBRNIK-PZJWPPBQSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccnc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000270387447 455945756 /nfs/dbraw/zinc/94/57/56/455945756.db2.gz XLBMSLRHXGAVPK-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccnc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000270387447 455945761 /nfs/dbraw/zinc/94/57/61/455945761.db2.gz XLBMSLRHXGAVPK-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261786983 455947738 /nfs/dbraw/zinc/94/77/38/455947738.db2.gz PTMFQZPGNURZIP-QILLFSRXSA-N 2 2 349.906 3.063 20 0 EGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000261995630 455983138 /nfs/dbraw/zinc/98/31/38/455983138.db2.gz SVNWYMMYVGFJMX-AWEZNQCLSA-N 2 2 326.282 3.063 20 0 EGADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000261995630 455983140 /nfs/dbraw/zinc/98/31/40/455983140.db2.gz SVNWYMMYVGFJMX-AWEZNQCLSA-N 2 2 326.282 3.063 20 0 EGADLP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543836 455988717 /nfs/dbraw/zinc/98/87/17/455988717.db2.gz CZJJJQOYDOCQDU-NEWSRXKRSA-N 2 2 328.456 3.467 20 0 EGADLP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543836 455988722 /nfs/dbraw/zinc/98/87/22/455988722.db2.gz CZJJJQOYDOCQDU-NEWSRXKRSA-N 2 2 328.456 3.467 20 0 EGADLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1C ZINC000262044243 455989821 /nfs/dbraw/zinc/98/98/21/455989821.db2.gz YTPRTNMVTROYMF-KRWDZBQOSA-N 2 2 345.512 3.380 20 0 EGADLP COc1cc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1C ZINC000262044243 455989826 /nfs/dbraw/zinc/98/98/26/455989826.db2.gz YTPRTNMVTROYMF-KRWDZBQOSA-N 2 2 345.512 3.380 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562858 455995150 /nfs/dbraw/zinc/99/51/50/455995150.db2.gz UMRJHNFZMWQMSX-WBVHZDCISA-N 2 2 340.496 3.396 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562858 455995153 /nfs/dbraw/zinc/99/51/53/455995153.db2.gz UMRJHNFZMWQMSX-WBVHZDCISA-N 2 2 340.496 3.396 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664227 456030539 /nfs/dbraw/zinc/03/05/39/456030539.db2.gz RZKULVXKHIEFDD-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664227 456030542 /nfs/dbraw/zinc/03/05/42/456030542.db2.gz RZKULVXKHIEFDD-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664227 456030545 /nfs/dbraw/zinc/03/05/45/456030545.db2.gz RZKULVXKHIEFDD-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)[C@H]2C1 ZINC000272664227 456030549 /nfs/dbraw/zinc/03/05/49/456030549.db2.gz RZKULVXKHIEFDD-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1c(Cl)cccc1Cl ZINC000262383647 456030749 /nfs/dbraw/zinc/03/07/49/456030749.db2.gz YYOVIFZIRPNBDR-NEPJUHHUSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1c(Cl)cccc1Cl ZINC000262383647 456030754 /nfs/dbraw/zinc/03/07/54/456030754.db2.gz YYOVIFZIRPNBDR-NEPJUHHUSA-N 2 2 342.270 3.148 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000272718051 456051495 /nfs/dbraw/zinc/05/14/95/456051495.db2.gz ZFCRYDSLCUEHQR-SJORKVTESA-N 2 2 342.443 3.184 20 0 EGADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000272854200 456092312 /nfs/dbraw/zinc/09/23/12/456092312.db2.gz KUVCNDIGJHHXKX-UHFFFAOYSA-N 2 2 347.772 3.126 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000271004667 456094057 /nfs/dbraw/zinc/09/40/57/456094057.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000271004667 456094058 /nfs/dbraw/zinc/09/40/58/456094058.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004667 456094061 /nfs/dbraw/zinc/09/40/61/456094061.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004667 456094064 /nfs/dbraw/zinc/09/40/64/456094064.db2.gz KWLJSHVKVJASGN-QZTJIDSGSA-N 3 2 326.488 3.293 20 0 EGADLP CCc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000301368246 456100460 /nfs/dbraw/zinc/10/04/60/456100460.db2.gz TYMICSXIYDLWNT-UHFFFAOYSA-N 2 2 328.435 3.199 20 0 EGADLP CCc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000301368246 456100467 /nfs/dbraw/zinc/10/04/67/456100467.db2.gz TYMICSXIYDLWNT-UHFFFAOYSA-N 2 2 328.435 3.199 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997601 456104897 /nfs/dbraw/zinc/10/48/97/456104897.db2.gz KLSCFFJIWPQSHZ-OALUTQOASA-N 2 2 339.487 3.281 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997601 456104900 /nfs/dbraw/zinc/10/49/00/456104900.db2.gz KLSCFFJIWPQSHZ-OALUTQOASA-N 2 2 339.487 3.281 20 0 EGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000301551716 456144762 /nfs/dbraw/zinc/14/47/62/456144762.db2.gz HFMGCLRHRWFPDZ-HXUWFJFHSA-N 2 2 347.462 3.374 20 0 EGADLP Cc1cc2ccccc2[nH+]c1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000301551716 456144765 /nfs/dbraw/zinc/14/47/65/456144765.db2.gz HFMGCLRHRWFPDZ-HXUWFJFHSA-N 2 2 347.462 3.374 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000271217696 456179151 /nfs/dbraw/zinc/17/91/51/456179151.db2.gz JDPRJHJARFAQAL-MRXNPFEDSA-N 2 2 336.426 3.344 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000271217696 456179155 /nfs/dbraw/zinc/17/91/55/456179155.db2.gz JDPRJHJARFAQAL-MRXNPFEDSA-N 2 2 336.426 3.344 20 0 EGADLP CN(C)c1cc[nH+]c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000301675946 456182906 /nfs/dbraw/zinc/18/29/06/456182906.db2.gz HLYQKVVQCGGZNS-UHFFFAOYSA-N 2 2 345.878 3.273 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1nc2c(s1)CCCC2 ZINC000333260948 456187529 /nfs/dbraw/zinc/18/75/29/456187529.db2.gz MBPXNHPFSGIFST-WOSRLPQWSA-N 2 2 346.500 3.326 20 0 EGADLP CC1(C)C[NH+]=C(N2CCN(c3cc[nH+]c4ccsc43)CC2)S1 ZINC000301746940 456205248 /nfs/dbraw/zinc/20/52/48/456205248.db2.gz QLPPPGKOEHGISC-UHFFFAOYSA-N 2 2 332.498 3.300 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415746 456215327 /nfs/dbraw/zinc/21/53/27/456215327.db2.gz LVEIECSYDBYBMO-ZBFHGGJFSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415746 456215329 /nfs/dbraw/zinc/21/53/29/456215329.db2.gz LVEIECSYDBYBMO-ZBFHGGJFSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415746 456215330 /nfs/dbraw/zinc/21/53/30/456215330.db2.gz LVEIECSYDBYBMO-ZBFHGGJFSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415746 456215331 /nfs/dbraw/zinc/21/53/31/456215331.db2.gz LVEIECSYDBYBMO-ZBFHGGJFSA-N 2 2 338.879 3.360 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301796729 456216376 /nfs/dbraw/zinc/21/63/76/456216376.db2.gz TZOYWFGJJGFDLO-UHFFFAOYSA-N 2 2 327.476 3.160 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301796729 456216380 /nfs/dbraw/zinc/21/63/80/456216380.db2.gz TZOYWFGJJGFDLO-UHFFFAOYSA-N 2 2 327.476 3.160 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC1CC[NH+](C(C)(C)C)CC1 ZINC000301897660 456244169 /nfs/dbraw/zinc/24/41/69/456244169.db2.gz RKWCQYQHVXKXCR-UHFFFAOYSA-N 2 2 330.480 3.256 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)c1O ZINC000297555342 456250832 /nfs/dbraw/zinc/25/08/32/456250832.db2.gz BVDVGKKSMDRNLU-AWEZNQCLSA-N 2 2 338.879 3.362 20 0 EGADLP Cn1c(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[nH+]c2ccccc21 ZINC000297621760 456265855 /nfs/dbraw/zinc/26/58/55/456265855.db2.gz LHKRRJQGVVNQGZ-UHFFFAOYSA-N 3 2 349.482 3.160 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290260046 456276225 /nfs/dbraw/zinc/27/62/25/456276225.db2.gz XKDMGXHIFZMBGA-MSOLQXFVSA-N 2 2 325.412 3.447 20 0 EGADLP COc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000275614469 456277791 /nfs/dbraw/zinc/27/77/91/456277791.db2.gz ITULSIAWBSSZQI-GOSISDBHSA-N 2 2 343.446 3.374 20 0 EGADLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000275614469 456277797 /nfs/dbraw/zinc/27/77/97/456277797.db2.gz ITULSIAWBSSZQI-GOSISDBHSA-N 2 2 343.446 3.374 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297722129 456280570 /nfs/dbraw/zinc/28/05/70/456280570.db2.gz NEVRWLRDJINZCL-JENIJYKNSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000297722129 456280573 /nfs/dbraw/zinc/28/05/73/456280573.db2.gz NEVRWLRDJINZCL-JENIJYKNSA-N 2 2 326.488 3.464 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000340195773 456307770 /nfs/dbraw/zinc/30/77/70/456307770.db2.gz GUWHZOBDCUIYRZ-IRFCIJBXSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000340195773 456307777 /nfs/dbraw/zinc/30/77/77/456307777.db2.gz GUWHZOBDCUIYRZ-IRFCIJBXSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1 ZINC000340204642 456313807 /nfs/dbraw/zinc/31/38/07/456313807.db2.gz YFCHOCLILCQHCC-FPOVZHCZSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1 ZINC000340204642 456313816 /nfs/dbraw/zinc/31/38/16/456313816.db2.gz YFCHOCLILCQHCC-FPOVZHCZSA-N 3 2 327.516 3.428 20 0 EGADLP CSC1(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCC1 ZINC000290416634 456322341 /nfs/dbraw/zinc/32/23/41/456322341.db2.gz LUESXLKZOAMYHQ-UHFFFAOYSA-N 2 2 333.545 3.306 20 0 EGADLP CSC1(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCC1 ZINC000290416634 456322345 /nfs/dbraw/zinc/32/23/45/456322345.db2.gz LUESXLKZOAMYHQ-UHFFFAOYSA-N 2 2 333.545 3.306 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000297965670 456334297 /nfs/dbraw/zinc/33/42/97/456334297.db2.gz WTADIENUHLQSNM-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000297965670 456334301 /nfs/dbraw/zinc/33/43/01/456334301.db2.gz WTADIENUHLQSNM-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000297965670 456334307 /nfs/dbraw/zinc/33/43/07/456334307.db2.gz WTADIENUHLQSNM-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000297965670 456334311 /nfs/dbraw/zinc/33/43/11/456334311.db2.gz WTADIENUHLQSNM-HOTGVXAUSA-N 2 2 344.528 3.498 20 0 EGADLP C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@@H+]1CC(C)(C)O ZINC000302475780 456346612 /nfs/dbraw/zinc/34/66/12/456346612.db2.gz DZTPMVISPVDIMG-ZDUSSCGKSA-N 2 2 333.863 3.170 20 0 EGADLP C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@H+]1CC(C)(C)O ZINC000302475780 456346617 /nfs/dbraw/zinc/34/66/17/456346617.db2.gz DZTPMVISPVDIMG-ZDUSSCGKSA-N 2 2 333.863 3.170 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258012 456347215 /nfs/dbraw/zinc/34/72/15/456347215.db2.gz ZDGJMWNKHOELPW-SLFFLAALSA-N 3 2 338.499 3.494 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258012 456347217 /nfs/dbraw/zinc/34/72/17/456347217.db2.gz ZDGJMWNKHOELPW-SLFFLAALSA-N 3 2 338.499 3.494 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000352835183 456349613 /nfs/dbraw/zinc/34/96/13/456349613.db2.gz KHEDAXVVHHAGQO-FIRPJDEBSA-N 2 2 328.500 3.204 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000352835183 456349621 /nfs/dbraw/zinc/34/96/21/456349621.db2.gz KHEDAXVVHHAGQO-FIRPJDEBSA-N 2 2 328.500 3.204 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352853776 456365415 /nfs/dbraw/zinc/36/54/15/456365415.db2.gz OKYFHCVLMCHURR-ZDUSSCGKSA-N 2 2 336.423 3.213 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352853776 456365419 /nfs/dbraw/zinc/36/54/19/456365419.db2.gz OKYFHCVLMCHURR-ZDUSSCGKSA-N 2 2 336.423 3.213 20 0 EGADLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2CC2)c(OC)c1 ZINC000281933280 456367061 /nfs/dbraw/zinc/36/70/61/456367061.db2.gz BCLZVUUQACSABW-UHFFFAOYSA-N 2 2 329.444 3.203 20 0 EGADLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2CC2)c(OC)c1 ZINC000281933280 456367070 /nfs/dbraw/zinc/36/70/70/456367070.db2.gz BCLZVUUQACSABW-UHFFFAOYSA-N 2 2 329.444 3.203 20 0 EGADLP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000340332524 456392556 /nfs/dbraw/zinc/39/25/56/456392556.db2.gz GUYHAZVJFXMFQK-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP CC(C)c1nc(NC[C@H]2C[N@@H+](C3CC3)CCO2)cc(C(C)(C)C)[nH+]1 ZINC000302778462 456396668 /nfs/dbraw/zinc/39/66/68/456396668.db2.gz QAQKYPMONRHRPQ-HNNXBMFYSA-N 2 2 332.492 3.173 20 0 EGADLP CC(C)c1nc(NC[C@H]2C[N@H+](C3CC3)CCO2)cc(C(C)(C)C)[nH+]1 ZINC000302778462 456396672 /nfs/dbraw/zinc/39/66/72/456396672.db2.gz QAQKYPMONRHRPQ-HNNXBMFYSA-N 2 2 332.492 3.173 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302801070 456404934 /nfs/dbraw/zinc/40/49/34/456404934.db2.gz TXMNXIAOWCWGTI-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302801070 456404941 /nfs/dbraw/zinc/40/49/41/456404941.db2.gz TXMNXIAOWCWGTI-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340371205 456419199 /nfs/dbraw/zinc/41/91/99/456419199.db2.gz QQLMUHGHDOYMSS-MJGOQNOKSA-N 2 2 327.428 3.084 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337609992 456421648 /nfs/dbraw/zinc/42/16/48/456421648.db2.gz XNLWPPYOWZBTFP-IBGZPJMESA-N 2 2 349.494 3.201 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)ccc1OCCO ZINC000347880777 456423872 /nfs/dbraw/zinc/42/38/72/456423872.db2.gz QBSMWZPPTSDUQV-MRXNPFEDSA-N 2 2 344.455 3.053 20 0 EGADLP CC(C)C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000353050787 456462383 /nfs/dbraw/zinc/46/23/83/456462383.db2.gz WMDTXEVYOGWVPG-MJIXASBWSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000353050787 456462387 /nfs/dbraw/zinc/46/23/87/456462387.db2.gz WMDTXEVYOGWVPG-MJIXASBWSA-N 2 2 349.563 3.265 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303741440 456482475 /nfs/dbraw/zinc/48/24/75/456482475.db2.gz ZFYILAYJYSHYSD-IBGZPJMESA-N 2 2 330.520 3.106 20 0 EGADLP CCCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303741440 456482478 /nfs/dbraw/zinc/48/24/78/456482478.db2.gz ZFYILAYJYSHYSD-IBGZPJMESA-N 2 2 330.520 3.106 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340504937 456498144 /nfs/dbraw/zinc/49/81/44/456498144.db2.gz JNISMWSWRCGYRN-PBHICJAKSA-N 2 2 344.421 3.116 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340504937 456498150 /nfs/dbraw/zinc/49/81/50/456498150.db2.gz JNISMWSWRCGYRN-PBHICJAKSA-N 2 2 344.421 3.116 20 0 EGADLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C(F)F)n1 ZINC000291017195 456498446 /nfs/dbraw/zinc/49/84/46/456498446.db2.gz AKWZGMISNQXMGG-UHFFFAOYSA-N 2 2 334.414 3.112 20 0 EGADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282412836 456506032 /nfs/dbraw/zinc/50/60/32/456506032.db2.gz AZDHOGMCBCCNPF-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282412836 456506038 /nfs/dbraw/zinc/50/60/38/456506038.db2.gz AZDHOGMCBCCNPF-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000291051858 456510792 /nfs/dbraw/zinc/51/07/92/456510792.db2.gz IJBGKKQQODYPCB-UHFFFAOYSA-N 2 2 346.393 3.210 20 0 EGADLP Cc1nnc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000282434375 456513320 /nfs/dbraw/zinc/51/33/20/456513320.db2.gz HQZSIAVIEQWSFK-GFCCVEGCSA-N 2 2 331.489 3.320 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454532 456520432 /nfs/dbraw/zinc/52/04/32/456520432.db2.gz OBEUHJIRTKQTNO-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454532 456520437 /nfs/dbraw/zinc/52/04/37/456520437.db2.gz OBEUHJIRTKQTNO-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP Fc1ccccc1OCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000291098936 456527194 /nfs/dbraw/zinc/52/71/94/456527194.db2.gz QWOZEWSSBMQZNW-UHFFFAOYSA-N 2 2 334.357 3.211 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000291107456 456531052 /nfs/dbraw/zinc/53/10/52/456531052.db2.gz KCOXTXQZELEWME-ZDUSSCGKSA-N 2 2 330.394 3.246 20 0 EGADLP COc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515315 456537429 /nfs/dbraw/zinc/53/74/29/456537429.db2.gz OWKILVSGPOYTAF-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515315 456537432 /nfs/dbraw/zinc/53/74/32/456537432.db2.gz OWKILVSGPOYTAF-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP c1ccc([C@@H]2OCC[C@@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000343350834 456551715 /nfs/dbraw/zinc/55/17/15/456551715.db2.gz UKOASFNILUVNNS-NQIIRXRSSA-N 2 2 337.467 3.418 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298893838 456564198 /nfs/dbraw/zinc/56/41/98/456564198.db2.gz LOSSFEXXXVIREO-QWHCGFSZSA-N 2 2 346.500 3.140 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298893838 456564200 /nfs/dbraw/zinc/56/42/00/456564200.db2.gz LOSSFEXXXVIREO-QWHCGFSZSA-N 2 2 346.500 3.140 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282601386 456565452 /nfs/dbraw/zinc/56/54/52/456565452.db2.gz YAUJXTDXDTZWIQ-HXUWFJFHSA-N 3 2 340.515 3.472 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282601386 456565457 /nfs/dbraw/zinc/56/54/57/456565457.db2.gz YAUJXTDXDTZWIQ-HXUWFJFHSA-N 3 2 340.515 3.472 20 0 EGADLP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)o1 ZINC000348255112 456574133 /nfs/dbraw/zinc/57/41/33/456574133.db2.gz QHZUXCWZEQRAAN-HNNXBMFYSA-N 2 2 335.473 3.281 20 0 EGADLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)o1 ZINC000348255112 456574140 /nfs/dbraw/zinc/57/41/40/456574140.db2.gz QHZUXCWZEQRAAN-HNNXBMFYSA-N 2 2 335.473 3.281 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000337877981 456583092 /nfs/dbraw/zinc/58/30/92/456583092.db2.gz RRFLHZXOWOFSRK-AWEZNQCLSA-N 2 2 345.878 3.425 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000337877981 456583097 /nfs/dbraw/zinc/58/30/97/456583097.db2.gz RRFLHZXOWOFSRK-AWEZNQCLSA-N 2 2 345.878 3.425 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310820339 456583194 /nfs/dbraw/zinc/58/31/94/456583194.db2.gz DISKXCQZJOTCPJ-BHIYHBOVSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310820339 456583196 /nfs/dbraw/zinc/58/31/96/456583196.db2.gz DISKXCQZJOTCPJ-BHIYHBOVSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310820339 456583200 /nfs/dbraw/zinc/58/32/00/456583200.db2.gz DISKXCQZJOTCPJ-BHIYHBOVSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310820339 456583205 /nfs/dbraw/zinc/58/32/05/456583205.db2.gz DISKXCQZJOTCPJ-BHIYHBOVSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282753131 456615164 /nfs/dbraw/zinc/61/51/64/456615164.db2.gz NVDJTINZOHOTEC-AEFFLSMTSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282753131 456615171 /nfs/dbraw/zinc/61/51/71/456615171.db2.gz NVDJTINZOHOTEC-AEFFLSMTSA-N 2 2 341.503 3.033 20 0 EGADLP Cc1cccc2nc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000348318791 456618406 /nfs/dbraw/zinc/61/84/06/456618406.db2.gz BHAIIARNJYPDAP-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccc2nc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000348318791 456618411 /nfs/dbraw/zinc/61/84/11/456618411.db2.gz BHAIIARNJYPDAP-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccc2nc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000348318791 456618418 /nfs/dbraw/zinc/61/84/18/456618418.db2.gz BHAIIARNJYPDAP-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccc2nc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000348318791 456618423 /nfs/dbraw/zinc/61/84/23/456618423.db2.gz BHAIIARNJYPDAP-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP C[C@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276932106 456623218 /nfs/dbraw/zinc/62/32/18/456623218.db2.gz OKCZWEVHNNGFPM-MGPQQGTHSA-N 2 2 325.416 3.242 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282787087 456626007 /nfs/dbraw/zinc/62/60/07/456626007.db2.gz LNFSRXFLZLFWSG-UHFFFAOYSA-N 2 2 341.503 3.190 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000282787087 456626017 /nfs/dbraw/zinc/62/60/17/456626017.db2.gz LNFSRXFLZLFWSG-UHFFFAOYSA-N 2 2 341.503 3.190 20 0 EGADLP c1cn(CCC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH+]1 ZINC000291404960 456634862 /nfs/dbraw/zinc/63/48/62/456634862.db2.gz FQZKFWHTESBXPK-UHFFFAOYSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH+]1 ZINC000291404960 456634868 /nfs/dbraw/zinc/63/48/68/456634868.db2.gz FQZKFWHTESBXPK-UHFFFAOYSA-N 3 2 338.499 3.261 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)oc21 ZINC000353323414 456638812 /nfs/dbraw/zinc/63/88/12/456638812.db2.gz ZOTOLAWOXSIWGV-DOTOQJQBSA-N 2 2 346.471 3.185 20 0 EGADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000299296148 456651899 /nfs/dbraw/zinc/65/18/99/456651899.db2.gz RLXZWSLHCMOWKG-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000299296148 456651904 /nfs/dbraw/zinc/65/19/04/456651904.db2.gz RLXZWSLHCMOWKG-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277117045 456687102 /nfs/dbraw/zinc/68/71/02/456687102.db2.gz HNXMOYMGOFHGTA-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277117045 456687104 /nfs/dbraw/zinc/68/71/04/456687104.db2.gz HNXMOYMGOFHGTA-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119598 456688400 /nfs/dbraw/zinc/68/84/00/456688400.db2.gz NIOUDAHXDVCGSE-WBVHZDCISA-N 2 2 331.485 3.085 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119598 456688405 /nfs/dbraw/zinc/68/84/05/456688405.db2.gz NIOUDAHXDVCGSE-WBVHZDCISA-N 2 2 331.485 3.085 20 0 EGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000283022907 456691711 /nfs/dbraw/zinc/69/17/11/456691711.db2.gz PQKMJALHNVBHFE-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000283022907 456691714 /nfs/dbraw/zinc/69/17/14/456691714.db2.gz PQKMJALHNVBHFE-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000338222265 456715950 /nfs/dbraw/zinc/71/59/50/456715950.db2.gz STJRGOUEVKARQP-SFHVURJKSA-N 2 2 344.499 3.402 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000338222265 456715954 /nfs/dbraw/zinc/71/59/54/456715954.db2.gz STJRGOUEVKARQP-SFHVURJKSA-N 2 2 344.499 3.402 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@@H](C)C[NH+](C)C)cs2)cc1 ZINC000291677697 456717473 /nfs/dbraw/zinc/71/74/73/456717473.db2.gz HHPAZYGSLLSXIT-OAHLLOKOSA-N 2 2 333.501 3.318 20 0 EGADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000291698237 456725275 /nfs/dbraw/zinc/72/52/75/456725275.db2.gz ANOFLJOHIDDVPI-INIZCTEOSA-N 2 2 338.455 3.357 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000343621187 456749479 /nfs/dbraw/zinc/74/94/79/456749479.db2.gz MKRIHQVIVLFEIB-UHFFFAOYSA-N 2 2 332.879 3.443 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000343621187 456749487 /nfs/dbraw/zinc/74/94/87/456749487.db2.gz MKRIHQVIVLFEIB-UHFFFAOYSA-N 2 2 332.879 3.443 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274935 456755121 /nfs/dbraw/zinc/75/51/21/456755121.db2.gz RXPCMTPQTKHRCL-BBRMVZONSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274935 456755124 /nfs/dbraw/zinc/75/51/24/456755124.db2.gz RXPCMTPQTKHRCL-BBRMVZONSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1OCCc2sccc21 ZINC000291807914 456764691 /nfs/dbraw/zinc/76/46/91/456764691.db2.gz XXNWPUJVQNMTEL-ACJLOTCBSA-N 2 2 340.452 3.121 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344301940 456815339 /nfs/dbraw/zinc/81/53/39/456815339.db2.gz RWWCGNHKKVTWFB-NLWGTHIKSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344301940 456815342 /nfs/dbraw/zinc/81/53/42/456815342.db2.gz RWWCGNHKKVTWFB-NLWGTHIKSA-N 2 2 330.516 3.428 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC(F)F)c1 ZINC000277419363 456818227 /nfs/dbraw/zinc/81/82/27/456818227.db2.gz IYPKETLZIWGIFH-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(OC(F)F)c1 ZINC000277419363 456818229 /nfs/dbraw/zinc/81/82/29/456818229.db2.gz IYPKETLZIWGIFH-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)OCCO2 ZINC000277425419 456821006 /nfs/dbraw/zinc/82/10/06/456821006.db2.gz JFXZJIHETDJLIL-OAHLLOKOSA-N 2 2 336.501 3.096 20 0 EGADLP CSc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)OCCO2 ZINC000277425419 456821011 /nfs/dbraw/zinc/82/10/11/456821011.db2.gz JFXZJIHETDJLIL-OAHLLOKOSA-N 2 2 336.501 3.096 20 0 EGADLP C[NH+](C)CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000348750100 456840870 /nfs/dbraw/zinc/84/08/70/456840870.db2.gz MZLZIKMVAFCMAS-UHFFFAOYSA-N 2 2 348.450 3.140 20 0 EGADLP C[NH+]1CCC(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000277527377 456852105 /nfs/dbraw/zinc/85/21/05/456852105.db2.gz ADUPHQHBACJWGP-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000344987200 456887791 /nfs/dbraw/zinc/88/77/91/456887791.db2.gz FLNJGOQTTNGCTE-UHFFFAOYSA-N 2 2 348.450 3.280 20 0 EGADLP Cc1[nH+]c[nH]c1CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000344987200 456887795 /nfs/dbraw/zinc/88/77/95/456887795.db2.gz FLNJGOQTTNGCTE-UHFFFAOYSA-N 2 2 348.450 3.280 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751840 456889983 /nfs/dbraw/zinc/88/99/83/456889983.db2.gz KNDMXBZOGWMISN-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751840 456889985 /nfs/dbraw/zinc/88/99/85/456889985.db2.gz KNDMXBZOGWMISN-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751840 456889987 /nfs/dbraw/zinc/88/99/87/456889987.db2.gz KNDMXBZOGWMISN-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751840 456889988 /nfs/dbraw/zinc/88/99/88/456889988.db2.gz KNDMXBZOGWMISN-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP Cc1c[nH+]cn1C1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000329513515 456903309 /nfs/dbraw/zinc/90/33/09/456903309.db2.gz NWAATYDXTORGFT-UHFFFAOYSA-N 2 2 349.438 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(F)c1Cl ZINC000339044185 456913696 /nfs/dbraw/zinc/91/36/96/456913696.db2.gz LFBMJRGIGDPVLE-KBMXLJTQSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(F)c1Cl ZINC000339044185 456913699 /nfs/dbraw/zinc/91/36/99/456913699.db2.gz LFBMJRGIGDPVLE-KBMXLJTQSA-N 2 2 326.843 3.163 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339075616 456927550 /nfs/dbraw/zinc/92/75/50/456927550.db2.gz QNIMIUCECUKWMC-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339075616 456927552 /nfs/dbraw/zinc/92/75/52/456927552.db2.gz QNIMIUCECUKWMC-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861353 456940129 /nfs/dbraw/zinc/94/01/29/456940129.db2.gz ARCYLUOXESRACV-APWZRJJASA-N 2 2 325.456 3.090 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861353 456940133 /nfs/dbraw/zinc/94/01/33/456940133.db2.gz ARCYLUOXESRACV-APWZRJJASA-N 2 2 325.456 3.090 20 0 EGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(Cl)c1Cl ZINC000349318981 456940832 /nfs/dbraw/zinc/94/08/32/456940832.db2.gz SKEZDEOKSDKLKS-UHFFFAOYSA-N 2 2 348.293 3.202 20 0 EGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(Cl)c1Cl ZINC000349318981 456940835 /nfs/dbraw/zinc/94/08/35/456940835.db2.gz SKEZDEOKSDKLKS-UHFFFAOYSA-N 2 2 348.293 3.202 20 0 EGADLP CC(C)CC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353957258 456978881 /nfs/dbraw/zinc/97/88/81/456978881.db2.gz ORGSIEAHSJFJQL-DZJYIKFMSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353957258 456978885 /nfs/dbraw/zinc/97/88/85/456978885.db2.gz ORGSIEAHSJFJQL-DZJYIKFMSA-N 2 2 349.563 3.265 20 0 EGADLP c1onc(Cc2ccccc2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000339184694 456982251 /nfs/dbraw/zinc/98/22/51/456982251.db2.gz JAIOILINOVDKFW-UHFFFAOYSA-N 2 2 325.456 3.229 20 0 EGADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330087972 456983067 /nfs/dbraw/zinc/98/30/67/456983067.db2.gz UHNZFPZMHDKFMZ-DOTOQJQBSA-N 2 2 330.476 3.118 20 0 EGADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330087972 456983071 /nfs/dbraw/zinc/98/30/71/456983071.db2.gz UHNZFPZMHDKFMZ-DOTOQJQBSA-N 2 2 330.476 3.118 20 0 EGADLP Clc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc2c1OCCO2 ZINC000354032727 457021853 /nfs/dbraw/zinc/02/18/53/457021853.db2.gz DDYYPODATNUWCP-HNNXBMFYSA-N 2 2 346.814 3.160 20 0 EGADLP Clc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc2c1OCCO2 ZINC000354032727 457021859 /nfs/dbraw/zinc/02/18/59/457021859.db2.gz DDYYPODATNUWCP-HNNXBMFYSA-N 2 2 346.814 3.160 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2C[NH+](C)C)c1C ZINC000362670009 457036878 /nfs/dbraw/zinc/03/68/78/457036878.db2.gz VMJKTUWXEQBHQD-UHFFFAOYSA-N 2 2 341.455 3.041 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)cn2c1 ZINC000341980579 457040364 /nfs/dbraw/zinc/04/03/64/457040364.db2.gz ALXHQTPHVZBAIV-FQEVSTJZSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)cn2c1 ZINC000341980579 457040372 /nfs/dbraw/zinc/04/03/72/457040372.db2.gz ALXHQTPHVZBAIV-FQEVSTJZSA-N 2 2 334.467 3.001 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000356563012 457057795 /nfs/dbraw/zinc/05/77/95/457057795.db2.gz LSURVHKRQFMLEE-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000356563012 457057801 /nfs/dbraw/zinc/05/78/01/457057801.db2.gz LSURVHKRQFMLEE-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000356563012 457057807 /nfs/dbraw/zinc/05/78/07/457057807.db2.gz LSURVHKRQFMLEE-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000356563012 457057810 /nfs/dbraw/zinc/05/78/10/457057810.db2.gz LSURVHKRQFMLEE-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000356574857 457063794 /nfs/dbraw/zinc/06/37/94/457063794.db2.gz JMMZKFLRVUIGCE-MJGOQNOKSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000356574857 457063800 /nfs/dbraw/zinc/06/38/00/457063800.db2.gz JMMZKFLRVUIGCE-MJGOQNOKSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000356574857 457063807 /nfs/dbraw/zinc/06/38/07/457063807.db2.gz JMMZKFLRVUIGCE-MJGOQNOKSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000356574857 457063811 /nfs/dbraw/zinc/06/38/11/457063811.db2.gz JMMZKFLRVUIGCE-MJGOQNOKSA-N 2 2 343.515 3.133 20 0 EGADLP CC[C@@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+](CC)CC ZINC000359258384 457070133 /nfs/dbraw/zinc/07/01/33/457070133.db2.gz JEYWCPSEHXLEBU-KRWDZBQOSA-N 2 2 344.459 3.021 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)n2)cc1F ZINC000346660238 457098608 /nfs/dbraw/zinc/09/86/08/457098608.db2.gz UKVQOEKDGJGLIF-CYBMUJFWSA-N 2 2 329.379 3.122 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C2CCCCC2)n1 ZINC000354166472 457104666 /nfs/dbraw/zinc/10/46/66/457104666.db2.gz LJLBJEMVDKVNGS-FQEVSTJZSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C2CCCCC2)n1 ZINC000354166472 457104671 /nfs/dbraw/zinc/10/46/71/457104671.db2.gz LJLBJEMVDKVNGS-FQEVSTJZSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C2CCCCC2)n1 ZINC000354166472 457104676 /nfs/dbraw/zinc/10/46/76/457104676.db2.gz LJLBJEMVDKVNGS-FQEVSTJZSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C2CCCCC2)n1 ZINC000354166472 457104680 /nfs/dbraw/zinc/10/46/80/457104680.db2.gz LJLBJEMVDKVNGS-FQEVSTJZSA-N 2 2 330.520 3.386 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177760 457112512 /nfs/dbraw/zinc/11/25/12/457112512.db2.gz QZIJHHQQDWZKJN-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177760 457112517 /nfs/dbraw/zinc/11/25/17/457112517.db2.gz QZIJHHQQDWZKJN-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177760 457112523 /nfs/dbraw/zinc/11/25/23/457112523.db2.gz QZIJHHQQDWZKJN-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177760 457112527 /nfs/dbraw/zinc/11/25/27/457112527.db2.gz QZIJHHQQDWZKJN-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346693133 457114264 /nfs/dbraw/zinc/11/42/64/457114264.db2.gz KXGJALMFSLXFBT-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346693133 457114270 /nfs/dbraw/zinc/11/42/70/457114270.db2.gz KXGJALMFSLXFBT-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433770 457116708 /nfs/dbraw/zinc/11/67/08/457116708.db2.gz DLGALOLSWJZGAF-JSGCOSHPSA-N 2 2 338.879 3.115 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433770 457116711 /nfs/dbraw/zinc/11/67/11/457116711.db2.gz DLGALOLSWJZGAF-JSGCOSHPSA-N 2 2 338.879 3.115 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]21 ZINC000342127149 457123750 /nfs/dbraw/zinc/12/37/50/457123750.db2.gz LUTLUPSTFNEKTF-BHIYHBOVSA-N 2 2 341.524 3.488 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]21 ZINC000342127149 457123754 /nfs/dbraw/zinc/12/37/54/457123754.db2.gz LUTLUPSTFNEKTF-BHIYHBOVSA-N 2 2 341.524 3.488 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000359920197 457149214 /nfs/dbraw/zinc/14/92/14/457149214.db2.gz YGWRMHIKHIHRJL-DLBZAZTESA-N 2 2 349.523 3.260 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000359920197 457149221 /nfs/dbraw/zinc/14/92/21/457149221.db2.gz YGWRMHIKHIHRJL-DLBZAZTESA-N 2 2 349.523 3.260 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590273 457158950 /nfs/dbraw/zinc/15/89/50/457158950.db2.gz HYHVVQZGGUUEEX-OGWOLHLISA-N 2 2 333.545 3.226 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590273 457158955 /nfs/dbraw/zinc/15/89/55/457158955.db2.gz HYHVVQZGGUUEEX-OGWOLHLISA-N 2 2 333.545 3.226 20 0 EGADLP FC(F)n1c(CC[NH2+]Cc2cccc3[nH+]ccn32)nc2ccccc21 ZINC000354290342 457176867 /nfs/dbraw/zinc/17/68/67/457176867.db2.gz UTRZULVWBJUXPO-UHFFFAOYSA-N 2 2 341.365 3.411 20 0 EGADLP COc1ccc(Br)c(C[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000354290077 457177176 /nfs/dbraw/zinc/17/71/76/457177176.db2.gz PYQPRGXNAUOWMG-UHFFFAOYSA-N 2 2 346.228 3.395 20 0 EGADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356836561 457182119 /nfs/dbraw/zinc/18/21/19/457182119.db2.gz BRMXTODRTPWFFK-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356836561 457182121 /nfs/dbraw/zinc/18/21/21/457182121.db2.gz BRMXTODRTPWFFK-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000359993780 457192216 /nfs/dbraw/zinc/19/22/16/457192216.db2.gz OJPVKEHLZGOYAA-RHSMWYFYSA-N 2 2 330.476 3.104 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000359993780 457192221 /nfs/dbraw/zinc/19/22/21/457192221.db2.gz OJPVKEHLZGOYAA-RHSMWYFYSA-N 2 2 330.476 3.104 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000339661926 457200081 /nfs/dbraw/zinc/20/00/81/457200081.db2.gz SMEHKBSSJXCELU-HNNXBMFYSA-N 2 2 329.444 3.151 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000339661926 457200090 /nfs/dbraw/zinc/20/00/90/457200090.db2.gz SMEHKBSSJXCELU-HNNXBMFYSA-N 2 2 329.444 3.151 20 0 EGADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000350730342 457201057 /nfs/dbraw/zinc/20/10/57/457201057.db2.gz RXIBLJJYVNEJMX-ZACQAIPSSA-N 2 2 331.508 3.245 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045437 457201595 /nfs/dbraw/zinc/20/15/95/457201595.db2.gz NSBKPFUBNHMFMS-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045437 457201599 /nfs/dbraw/zinc/20/15/99/457201599.db2.gz NSBKPFUBNHMFMS-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000354409803 457204151 /nfs/dbraw/zinc/20/41/51/457204151.db2.gz LNBNTGBBAVKKBZ-CQSZACIVSA-N 2 2 339.395 3.493 20 0 EGADLP COc1nc(C)cc(C)c1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000347138165 457251635 /nfs/dbraw/zinc/25/16/35/457251635.db2.gz RIWQWPLHSVFQNL-UHFFFAOYSA-N 2 2 331.460 3.254 20 0 EGADLP COc1nc(C)cc(C)c1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000347138165 457251642 /nfs/dbraw/zinc/25/16/42/457251642.db2.gz RIWQWPLHSVFQNL-UHFFFAOYSA-N 2 2 331.460 3.254 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000347138165 457251649 /nfs/dbraw/zinc/25/16/49/457251649.db2.gz RIWQWPLHSVFQNL-UHFFFAOYSA-N 2 2 331.460 3.254 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000347138165 457251655 /nfs/dbraw/zinc/25/16/55/457251655.db2.gz RIWQWPLHSVFQNL-UHFFFAOYSA-N 2 2 331.460 3.254 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385549 457273228 /nfs/dbraw/zinc/27/32/28/457273228.db2.gz NDOKCWNONHAGCA-INIZCTEOSA-N 2 2 342.405 3.125 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385549 457273232 /nfs/dbraw/zinc/27/32/32/457273232.db2.gz NDOKCWNONHAGCA-INIZCTEOSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385549 457273237 /nfs/dbraw/zinc/27/32/37/457273237.db2.gz NDOKCWNONHAGCA-INIZCTEOSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385549 457273243 /nfs/dbraw/zinc/27/32/43/457273243.db2.gz NDOKCWNONHAGCA-INIZCTEOSA-N 2 2 342.405 3.125 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H]1C[NH3+] ZINC000347188965 457277621 /nfs/dbraw/zinc/27/76/21/457277621.db2.gz CWPNRDUHVQYRRF-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H]1C[NH3+] ZINC000347188965 457277628 /nfs/dbraw/zinc/27/76/28/457277628.db2.gz CWPNRDUHVQYRRF-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CCSCC1 ZINC000354547330 457281955 /nfs/dbraw/zinc/28/19/55/457281955.db2.gz KWDVRIFKTXBUHL-RHSMWYFYSA-N 2 2 334.533 3.166 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820608 457290618 /nfs/dbraw/zinc/29/06/18/457290618.db2.gz USLLNPOLDWGSNV-FXAWDEMLSA-N 2 2 326.488 3.236 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820608 457290619 /nfs/dbraw/zinc/29/06/19/457290619.db2.gz USLLNPOLDWGSNV-FXAWDEMLSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820608 457290620 /nfs/dbraw/zinc/29/06/20/457290620.db2.gz USLLNPOLDWGSNV-FXAWDEMLSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820608 457290621 /nfs/dbraw/zinc/29/06/21/457290621.db2.gz USLLNPOLDWGSNV-FXAWDEMLSA-N 2 2 326.488 3.236 20 0 EGADLP COc1cc(C)[nH+]c(CN(C)Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000339822614 457293059 /nfs/dbraw/zinc/29/30/59/457293059.db2.gz WCCPOFHVSMEODS-UHFFFAOYSA-N 2 2 336.439 3.275 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c[nH+]1 ZINC000354650589 457298086 /nfs/dbraw/zinc/29/80/86/457298086.db2.gz BHUCJOGIICJJOD-SJORKVTESA-N 2 2 342.443 3.093 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000354661005 457302986 /nfs/dbraw/zinc/30/29/86/457302986.db2.gz WFYQUCUSXAROPT-XIHRTOKZSA-N 2 2 344.499 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000354661005 457302990 /nfs/dbraw/zinc/30/29/90/457302990.db2.gz WFYQUCUSXAROPT-XIHRTOKZSA-N 2 2 344.499 3.074 20 0 EGADLP CC1(C)CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]1 ZINC000332164207 457317879 /nfs/dbraw/zinc/31/78/79/457317879.db2.gz ZSJVFZHBPFKEEL-UHFFFAOYSA-N 2 2 345.830 3.351 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000363451855 457333091 /nfs/dbraw/zinc/33/30/91/457333091.db2.gz YCJSIBVMONJVIM-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000363451855 457333095 /nfs/dbraw/zinc/33/30/95/457333095.db2.gz YCJSIBVMONJVIM-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000347325470 457352953 /nfs/dbraw/zinc/35/29/53/457352953.db2.gz DUOAQTSFZODBSG-VURPSTOHSA-N 2 2 345.531 3.475 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000347325470 457352960 /nfs/dbraw/zinc/35/29/60/457352960.db2.gz DUOAQTSFZODBSG-VURPSTOHSA-N 2 2 345.531 3.475 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433903 457364213 /nfs/dbraw/zinc/36/42/13/457364213.db2.gz YZUSOKSCAYQLDR-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433903 457364216 /nfs/dbraw/zinc/36/42/16/457364216.db2.gz YZUSOKSCAYQLDR-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433903 457364221 /nfs/dbraw/zinc/36/42/21/457364221.db2.gz YZUSOKSCAYQLDR-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000352433903 457364225 /nfs/dbraw/zinc/36/42/25/457364225.db2.gz YZUSOKSCAYQLDR-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352448811 457376133 /nfs/dbraw/zinc/37/61/33/457376133.db2.gz VSQCEVZRKDVZND-JCGIZDLHSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352448811 457376138 /nfs/dbraw/zinc/37/61/38/457376138.db2.gz VSQCEVZRKDVZND-JCGIZDLHSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352448811 457376144 /nfs/dbraw/zinc/37/61/44/457376144.db2.gz VSQCEVZRKDVZND-JCGIZDLHSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352448811 457376151 /nfs/dbraw/zinc/37/61/51/457376151.db2.gz VSQCEVZRKDVZND-JCGIZDLHSA-N 2 2 342.512 3.361 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000352485946 457405946 /nfs/dbraw/zinc/40/59/46/457405946.db2.gz KCQYCUBBINNQFX-UHFFFAOYSA-N 2 2 348.450 3.174 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352489270 457409664 /nfs/dbraw/zinc/40/96/64/457409664.db2.gz ZFEBYCHMWAQJLO-DOTOQJQBSA-N 2 2 343.471 3.156 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352489270 457409673 /nfs/dbraw/zinc/40/96/73/457409673.db2.gz ZFEBYCHMWAQJLO-DOTOQJQBSA-N 2 2 343.471 3.156 20 0 EGADLP COCc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000357307532 457435622 /nfs/dbraw/zinc/43/56/22/457435622.db2.gz CONGNHBTWWKYEH-SFHVURJKSA-N 2 2 343.402 3.250 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000352545911 457456260 /nfs/dbraw/zinc/45/62/60/457456260.db2.gz NFOSBVAAGZGMLL-CQSZACIVSA-N 2 2 326.868 3.451 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc(Cl)c1OC ZINC000352545911 457456265 /nfs/dbraw/zinc/45/62/65/457456265.db2.gz NFOSBVAAGZGMLL-CQSZACIVSA-N 2 2 326.868 3.451 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000360955014 457463992 /nfs/dbraw/zinc/46/39/92/457463992.db2.gz ISKLCISQMFQEQL-HUUCEWRRSA-N 2 2 332.448 3.320 20 0 EGADLP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000425277709 457481233 /nfs/dbraw/zinc/48/12/33/457481233.db2.gz RONAQNHYXARLHQ-RBUKOAKNSA-N 2 2 334.467 3.373 20 0 EGADLP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000425277709 457481238 /nfs/dbraw/zinc/48/12/38/457481238.db2.gz RONAQNHYXARLHQ-RBUKOAKNSA-N 2 2 334.467 3.373 20 0 EGADLP CC1CCC([N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]2CCCO2)CC1 ZINC000425342177 457506416 /nfs/dbraw/zinc/50/64/16/457506416.db2.gz YHWSFLLTJBDQBU-HTWSVDAQSA-N 2 2 334.508 3.046 20 0 EGADLP CC1CCC([N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]2CCCO2)CC1 ZINC000425342177 457506424 /nfs/dbraw/zinc/50/64/24/457506424.db2.gz YHWSFLLTJBDQBU-HTWSVDAQSA-N 2 2 334.508 3.046 20 0 EGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]2C ZINC000425365245 457520706 /nfs/dbraw/zinc/52/07/06/457520706.db2.gz YAOCOJBXKOLPOJ-ZIAGYGMSSA-N 2 2 328.460 3.003 20 0 EGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]2C ZINC000425365245 457520712 /nfs/dbraw/zinc/52/07/12/457520712.db2.gz YAOCOJBXKOLPOJ-ZIAGYGMSSA-N 2 2 328.460 3.003 20 0 EGADLP Cc1nc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cc[nH+]1 ZINC000361025891 457521854 /nfs/dbraw/zinc/52/18/54/457521854.db2.gz PNOCPSMZIRFMHS-QGZVFWFLSA-N 2 2 330.863 3.327 20 0 EGADLP Cc1nc(NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cc[nH+]1 ZINC000361025891 457521862 /nfs/dbraw/zinc/52/18/62/457521862.db2.gz PNOCPSMZIRFMHS-QGZVFWFLSA-N 2 2 330.863 3.327 20 0 EGADLP CC(C)O[C@@H]1C[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C1(C)C ZINC000361034511 457531146 /nfs/dbraw/zinc/53/11/46/457531146.db2.gz XSYXVIBUFGGSPA-RCCFBDPRSA-N 2 2 346.519 3.226 20 0 EGADLP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352709156 457548815 /nfs/dbraw/zinc/54/88/15/457548815.db2.gz ZKYCCYHHJSJQPL-UHFFFAOYSA-N 2 2 328.485 3.295 20 0 EGADLP CCCCc1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361072441 457564100 /nfs/dbraw/zinc/56/41/00/457564100.db2.gz HNHYQJBLLPTWDT-UHFFFAOYSA-N 2 2 331.464 3.301 20 0 EGADLP Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000361087671 457575962 /nfs/dbraw/zinc/57/59/62/457575962.db2.gz UHDHDCZJMVUNNN-GOSISDBHSA-N 2 2 329.444 3.254 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(-n2cccn2)cc1 ZINC000352751991 457581699 /nfs/dbraw/zinc/58/16/99/457581699.db2.gz WQPMUDZGJUJMHG-CQSZACIVSA-N 2 2 341.484 3.241 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C)cc32)CC1 ZINC000361147902 457613481 /nfs/dbraw/zinc/61/34/81/457613481.db2.gz XYKIOSHABVYADD-HXUWFJFHSA-N 2 2 344.499 3.380 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000374565259 457662702 /nfs/dbraw/zinc/66/27/02/457662702.db2.gz ZOFBADQIROKLGI-KSSFIOAISA-N 2 2 333.439 3.179 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283530 457678105 /nfs/dbraw/zinc/67/81/05/457678105.db2.gz YPKWEGGCPIUJSB-KUHUBIRLSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283530 457678106 /nfs/dbraw/zinc/67/81/06/457678106.db2.gz YPKWEGGCPIUJSB-KUHUBIRLSA-N 2 2 329.419 3.443 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677442 457698576 /nfs/dbraw/zinc/69/85/76/457698576.db2.gz WNQVXQQRGILJKL-IEZWGBDMSA-N 2 2 339.487 3.162 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677442 457698577 /nfs/dbraw/zinc/69/85/77/457698577.db2.gz WNQVXQQRGILJKL-IEZWGBDMSA-N 2 2 339.487 3.162 20 0 EGADLP Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000357820100 457701620 /nfs/dbraw/zinc/70/16/20/457701620.db2.gz SRNBAUPEVPGSFD-WOJBJXKFSA-N 2 2 336.483 3.360 20 0 EGADLP Cc1nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000357820100 457701623 /nfs/dbraw/zinc/70/16/23/457701623.db2.gz SRNBAUPEVPGSFD-WOJBJXKFSA-N 2 2 336.483 3.360 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000361493918 457753815 /nfs/dbraw/zinc/75/38/15/457753815.db2.gz VUJMKCQEBJLYPS-OAHLLOKOSA-N 2 2 335.407 3.494 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365383919 457755033 /nfs/dbraw/zinc/75/50/33/457755033.db2.gz WUNQKYMCHIOGER-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365383919 457755036 /nfs/dbraw/zinc/75/50/36/457755036.db2.gz WUNQKYMCHIOGER-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000358053016 457755211 /nfs/dbraw/zinc/75/52/11/457755211.db2.gz SYLDPRAUWRVYLY-UHFFFAOYSA-N 2 2 330.501 3.243 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc3)[nH+]c12 ZINC000433153814 457766167 /nfs/dbraw/zinc/76/61/67/457766167.db2.gz XOLYOBCGYPXBLT-KRWDZBQOSA-N 2 2 336.439 3.479 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358077841 457770455 /nfs/dbraw/zinc/77/04/55/457770455.db2.gz BFQMXELTWPYWKJ-OPYAIIAOSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358077841 457770463 /nfs/dbraw/zinc/77/04/63/457770463.db2.gz BFQMXELTWPYWKJ-OPYAIIAOSA-N 3 2 340.515 3.328 20 0 EGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCSC1 ZINC000433185656 457772680 /nfs/dbraw/zinc/77/26/80/457772680.db2.gz FUXSLMUKIOTQFB-GOSISDBHSA-N 2 2 331.485 3.216 20 0 EGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCSC1 ZINC000433185656 457772684 /nfs/dbraw/zinc/77/26/84/457772684.db2.gz FUXSLMUKIOTQFB-GOSISDBHSA-N 2 2 331.485 3.216 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)ccc2[nH+]1 ZINC000443585942 457784370 /nfs/dbraw/zinc/78/43/70/457784370.db2.gz ZJGJGKWVJWEPOE-KRWDZBQOSA-N 2 2 343.475 3.275 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@@H+]3CC(C)C)ccc2[nH+]1 ZINC000443585942 457784379 /nfs/dbraw/zinc/78/43/79/457784379.db2.gz ZJGJGKWVJWEPOE-KRWDZBQOSA-N 2 2 343.475 3.275 20 0 EGADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665439 457784441 /nfs/dbraw/zinc/78/44/41/457784441.db2.gz JZTQRQQUNCAOBA-DBVUQKKJSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665439 457784449 /nfs/dbraw/zinc/78/44/49/457784449.db2.gz JZTQRQQUNCAOBA-DBVUQKKJSA-N 2 2 349.563 3.218 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366460551 457815535 /nfs/dbraw/zinc/81/55/35/457815535.db2.gz XIUIJNKFOKAXAK-WBVHZDCISA-N 2 2 341.455 3.363 20 0 EGADLP Cc1cccn2c(C[NH2+]Cc3ccccc3-c3cnn(C)c3)c[nH+]c12 ZINC000371175034 457816976 /nfs/dbraw/zinc/81/69/76/457816976.db2.gz ZHMVDOSSUBVBDV-UHFFFAOYSA-N 2 2 331.423 3.333 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361676042 457817321 /nfs/dbraw/zinc/81/73/21/457817321.db2.gz QZNNKQNRFIDDOK-ROUUACIJSA-N 2 2 349.906 3.030 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000361676042 457817327 /nfs/dbraw/zinc/81/73/27/457817327.db2.gz QZNNKQNRFIDDOK-ROUUACIJSA-N 2 2 349.906 3.030 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361676040 457817519 /nfs/dbraw/zinc/81/75/19/457817519.db2.gz QZNNKQNRFIDDOK-MSOLQXFVSA-N 2 2 349.906 3.030 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000361676040 457817528 /nfs/dbraw/zinc/81/75/28/457817528.db2.gz QZNNKQNRFIDDOK-MSOLQXFVSA-N 2 2 349.906 3.030 20 0 EGADLP c1ccc2nc(N3CC[NH+](CCC[NH+]4CCCCC4)CC3)ccc2c1 ZINC000444577151 457911793 /nfs/dbraw/zinc/91/17/93/457911793.db2.gz XJACUQUXJZVAFK-UHFFFAOYSA-N 2 2 338.499 3.233 20 0 EGADLP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859749 457914354 /nfs/dbraw/zinc/91/43/54/457914354.db2.gz GWQWWHQKUYMVKY-QUCCMNQESA-N 2 2 341.455 3.392 20 0 EGADLP COc1ccsc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434008077 457931840 /nfs/dbraw/zinc/93/18/40/457931840.db2.gz YRCCCQTXCDRDAO-YJBOKZPZSA-N 2 2 331.485 3.277 20 0 EGADLP COc1ccsc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434008077 457931848 /nfs/dbraw/zinc/93/18/48/457931848.db2.gz YRCCCQTXCDRDAO-YJBOKZPZSA-N 2 2 331.485 3.277 20 0 EGADLP COc1ccsc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434008077 457931854 /nfs/dbraw/zinc/93/18/54/457931854.db2.gz YRCCCQTXCDRDAO-YJBOKZPZSA-N 2 2 331.485 3.277 20 0 EGADLP COc1ccsc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434008077 457931859 /nfs/dbraw/zinc/93/18/59/457931859.db2.gz YRCCCQTXCDRDAO-YJBOKZPZSA-N 2 2 331.485 3.277 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@]1=O ZINC000411634139 457934863 /nfs/dbraw/zinc/93/48/63/457934863.db2.gz KLERWGZOZYUJQZ-UZUQRXQVSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@]1=O ZINC000411634139 457934870 /nfs/dbraw/zinc/93/48/70/457934870.db2.gz KLERWGZOZYUJQZ-UZUQRXQVSA-N 2 2 334.529 3.015 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427108158 457945128 /nfs/dbraw/zinc/94/51/28/457945128.db2.gz BUEKEQVCVGPYFK-HNAYVOBHSA-N 2 2 344.890 3.326 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427108158 457945134 /nfs/dbraw/zinc/94/51/34/457945134.db2.gz BUEKEQVCVGPYFK-HNAYVOBHSA-N 2 2 344.890 3.326 20 0 EGADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1Cl ZINC000361996841 457996364 /nfs/dbraw/zinc/99/63/64/457996364.db2.gz PWHCBTDEPWGUAG-UHFFFAOYSA-N 2 2 328.641 3.431 20 0 EGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1Cl ZINC000361996841 457996367 /nfs/dbraw/zinc/99/63/67/457996367.db2.gz PWHCBTDEPWGUAG-UHFFFAOYSA-N 2 2 328.641 3.431 20 0 EGADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358470247 458022288 /nfs/dbraw/zinc/02/22/88/458022288.db2.gz PUZIAGSFSFKGFP-OLZOCXBDSA-N 2 2 334.851 3.335 20 0 EGADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358470247 458022298 /nfs/dbraw/zinc/02/22/98/458022298.db2.gz PUZIAGSFSFKGFP-OLZOCXBDSA-N 2 2 334.851 3.335 20 0 EGADLP CCC[C@H](C(=O)OCC)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434674047 458033515 /nfs/dbraw/zinc/03/35/15/458033515.db2.gz GRNRXZOYXBLATC-QGZVFWFLSA-N 2 2 333.476 3.131 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794350 458052955 /nfs/dbraw/zinc/05/29/55/458052955.db2.gz MSMORBGHKAFGAK-YFVAEKQCSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794350 458052956 /nfs/dbraw/zinc/05/29/56/458052956.db2.gz MSMORBGHKAFGAK-YFVAEKQCSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434794350 458052958 /nfs/dbraw/zinc/05/29/58/458052958.db2.gz MSMORBGHKAFGAK-YFVAEKQCSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434794350 458052960 /nfs/dbraw/zinc/05/29/60/458052960.db2.gz MSMORBGHKAFGAK-YFVAEKQCSA-N 2 2 327.516 3.428 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032235 458069266 /nfs/dbraw/zinc/06/92/66/458069266.db2.gz JJFVEUVOLSPRBQ-XJKSGUPXSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032235 458069272 /nfs/dbraw/zinc/06/92/72/458069272.db2.gz JJFVEUVOLSPRBQ-XJKSGUPXSA-N 2 2 346.272 3.181 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035762 458069465 /nfs/dbraw/zinc/06/94/65/458069465.db2.gz QCVUKLPOPLMUGB-ZBFHGGJFSA-N 2 2 331.847 3.487 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035762 458069473 /nfs/dbraw/zinc/06/94/73/458069473.db2.gz QCVUKLPOPLMUGB-ZBFHGGJFSA-N 2 2 331.847 3.487 20 0 EGADLP CC(C)OC1CC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000428075714 458074967 /nfs/dbraw/zinc/07/49/67/458074967.db2.gz AFQWEPXYOCPUGM-UHFFFAOYSA-N 2 2 326.550 3.284 20 0 EGADLP c1c[nH+]c(CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)[nH]1 ZINC000369216207 458127822 /nfs/dbraw/zinc/12/78/22/458127822.db2.gz SGNMDMBKICTCNY-VQTJNVASSA-N 2 2 332.451 3.168 20 0 EGADLP c1c[nH+]c(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)[nH]1 ZINC000369216207 458127831 /nfs/dbraw/zinc/12/78/31/458127831.db2.gz SGNMDMBKICTCNY-VQTJNVASSA-N 2 2 332.451 3.168 20 0 EGADLP Cn1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cn1 ZINC000369215384 458127868 /nfs/dbraw/zinc/12/78/68/458127868.db2.gz OORYTCOJCHFWEV-FCHUYYIVSA-N 2 2 346.478 3.178 20 0 EGADLP Cn1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cn1 ZINC000369215384 458127873 /nfs/dbraw/zinc/12/78/73/458127873.db2.gz OORYTCOJCHFWEV-FCHUYYIVSA-N 2 2 346.478 3.178 20 0 EGADLP C[N@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000435383612 458130186 /nfs/dbraw/zinc/13/01/86/458130186.db2.gz JGMVRTMASAIDBI-UHFFFAOYSA-N 2 2 326.488 3.354 20 0 EGADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000435383612 458130192 /nfs/dbraw/zinc/13/01/92/458130192.db2.gz JGMVRTMASAIDBI-UHFFFAOYSA-N 2 2 326.488 3.354 20 0 EGADLP Cc1ccc2[nH+]cc(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)n2c1 ZINC000435389084 458134163 /nfs/dbraw/zinc/13/41/63/458134163.db2.gz IPUGSHXVWMDXTD-LJQANCHMSA-N 2 2 349.482 3.182 20 0 EGADLP COc1ccc(C)cc1C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435426808 458144115 /nfs/dbraw/zinc/14/41/15/458144115.db2.gz JWDCEHYQLFXBPJ-MRXNPFEDSA-N 2 2 345.512 3.380 20 0 EGADLP COc1ccc(C)cc1C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435426808 458144120 /nfs/dbraw/zinc/14/41/20/458144120.db2.gz JWDCEHYQLFXBPJ-MRXNPFEDSA-N 2 2 345.512 3.380 20 0 EGADLP Cn1ccnc1C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427629 458144482 /nfs/dbraw/zinc/14/44/82/458144482.db2.gz MVPJWYJOPZALKR-KRWDZBQOSA-N 2 2 344.890 3.218 20 0 EGADLP Cn1ccnc1C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427629 458144489 /nfs/dbraw/zinc/14/44/89/458144489.db2.gz MVPJWYJOPZALKR-KRWDZBQOSA-N 2 2 344.890 3.218 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@]3(CO)C[C@H]3c3ccc(F)cc3)c[nH+]c12 ZINC000428532892 458163460 /nfs/dbraw/zinc/16/34/60/458163460.db2.gz HRTSEOMDGPMBDI-AZUAARDMSA-N 2 2 339.414 3.038 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@]3(CO)C[C@H]3c3ccc(F)cc3)c[nH+]c12 ZINC000428532896 458163563 /nfs/dbraw/zinc/16/35/63/458163563.db2.gz HRTSEOMDGPMBDI-ICSRJNTNSA-N 2 2 339.414 3.038 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435622234 458174894 /nfs/dbraw/zinc/17/48/94/458174894.db2.gz CIFFGDXCAZNCCX-FPOVZHCZSA-N 2 2 343.515 3.108 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435622234 458174897 /nfs/dbraw/zinc/17/48/97/458174897.db2.gz CIFFGDXCAZNCCX-FPOVZHCZSA-N 2 2 343.515 3.108 20 0 EGADLP Cc1nc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)oc1C ZINC000435691995 458185340 /nfs/dbraw/zinc/18/53/40/458185340.db2.gz IGKMDTHHAMYQEY-MRXNPFEDSA-N 2 2 331.485 3.497 20 0 EGADLP Cc1nc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)oc1C ZINC000435691995 458185348 /nfs/dbraw/zinc/18/53/48/458185348.db2.gz IGKMDTHHAMYQEY-MRXNPFEDSA-N 2 2 331.485 3.497 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000372274692 458258483 /nfs/dbraw/zinc/25/84/83/458258483.db2.gz RTXAXTZSGQTJEL-PXNSSMCTSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000372274692 458258491 /nfs/dbraw/zinc/25/84/91/458258491.db2.gz RTXAXTZSGQTJEL-PXNSSMCTSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000372274692 458258498 /nfs/dbraw/zinc/25/84/98/458258498.db2.gz RTXAXTZSGQTJEL-PXNSSMCTSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000372274692 458258502 /nfs/dbraw/zinc/25/85/02/458258502.db2.gz RTXAXTZSGQTJEL-PXNSSMCTSA-N 2 2 337.467 3.283 20 0 EGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000447067203 458259629 /nfs/dbraw/zinc/25/96/29/458259629.db2.gz JRFDJEZGBNGEBE-FQEVSTJZSA-N 2 2 341.455 3.284 20 0 EGADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000447067203 458259632 /nfs/dbraw/zinc/25/96/32/458259632.db2.gz JRFDJEZGBNGEBE-FQEVSTJZSA-N 2 2 341.455 3.284 20 0 EGADLP CSC[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289914 458308828 /nfs/dbraw/zinc/30/88/28/458308828.db2.gz CUZSYFSACBOCFY-VQTJNVASSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289914 458308834 /nfs/dbraw/zinc/30/88/34/458308834.db2.gz CUZSYFSACBOCFY-VQTJNVASSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289914 458308838 /nfs/dbraw/zinc/30/88/38/458308838.db2.gz CUZSYFSACBOCFY-VQTJNVASSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289914 458308844 /nfs/dbraw/zinc/30/88/44/458308844.db2.gz CUZSYFSACBOCFY-VQTJNVASSA-N 2 2 348.556 3.353 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)ccc(O)c2n1 ZINC000429731935 458364081 /nfs/dbraw/zinc/36/40/81/458364081.db2.gz UVDXZCDNXBEMJF-UHFFFAOYSA-N 2 2 325.456 3.309 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459418564 458364365 /nfs/dbraw/zinc/36/43/65/458364365.db2.gz DBKIWIVURBCFCI-JXFKEZNVSA-N 2 2 336.483 3.497 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418564 458364368 /nfs/dbraw/zinc/36/43/68/458364368.db2.gz DBKIWIVURBCFCI-JXFKEZNVSA-N 2 2 336.483 3.497 20 0 EGADLP CCC(CC)CC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376679779 458367613 /nfs/dbraw/zinc/36/76/13/458367613.db2.gz LIRAWASBPJNCHA-KRWDZBQOSA-N 2 2 346.519 3.200 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000373106781 458399163 /nfs/dbraw/zinc/39/91/63/458399163.db2.gz MODXCUVMJGEVRG-KRWDZBQOSA-N 2 2 340.471 3.041 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000373106781 458399168 /nfs/dbraw/zinc/39/91/68/458399168.db2.gz MODXCUVMJGEVRG-KRWDZBQOSA-N 2 2 340.471 3.041 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1O ZINC000459552110 458408017 /nfs/dbraw/zinc/40/80/17/458408017.db2.gz RBUAAUVKBWYHEV-ZDUSSCGKSA-N 2 2 335.835 3.167 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1O ZINC000459552110 458408024 /nfs/dbraw/zinc/40/80/24/458408024.db2.gz RBUAAUVKBWYHEV-ZDUSSCGKSA-N 2 2 335.835 3.167 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC(C)C ZINC000430173017 458414929 /nfs/dbraw/zinc/41/49/29/458414929.db2.gz XRDXGFWKCXUJKJ-HXUWFJFHSA-N 2 2 332.488 3.258 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC(C)C ZINC000430173017 458414931 /nfs/dbraw/zinc/41/49/31/458414931.db2.gz XRDXGFWKCXUJKJ-HXUWFJFHSA-N 2 2 332.488 3.258 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCC(C)C ZINC000430173017 458414933 /nfs/dbraw/zinc/41/49/33/458414933.db2.gz XRDXGFWKCXUJKJ-HXUWFJFHSA-N 2 2 332.488 3.258 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCC(C)C ZINC000430173017 458414937 /nfs/dbraw/zinc/41/49/37/458414937.db2.gz XRDXGFWKCXUJKJ-HXUWFJFHSA-N 2 2 332.488 3.258 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CCC[NH2+]1 ZINC000423439051 458433325 /nfs/dbraw/zinc/43/33/25/458433325.db2.gz VCNYMQBIZWALQZ-GUYCJALGSA-N 2 2 328.403 3.016 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000437350008 458447577 /nfs/dbraw/zinc/44/75/77/458447577.db2.gz ZIVOWPCNSPKILD-RSPOEFSDSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000437350008 458447581 /nfs/dbraw/zinc/44/75/81/458447581.db2.gz ZIVOWPCNSPKILD-RSPOEFSDSA-N 2 2 344.499 3.218 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423531178 458452747 /nfs/dbraw/zinc/45/27/47/458452747.db2.gz XULSDUWHTYPNEI-WMLDXEAASA-N 2 2 330.403 3.257 20 0 EGADLP c1nc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n(-c2ccccc2)n1 ZINC000373286617 458452827 /nfs/dbraw/zinc/45/28/27/458452827.db2.gz RUKHKUSRABXHBL-UHFFFAOYSA-N 2 2 339.487 3.154 20 0 EGADLP Cc1ccn2c(CN(CC[NH+](C)C)Cc3ccsc3)c[nH+]c2c1 ZINC000459730910 458461153 /nfs/dbraw/zinc/46/11/53/458461153.db2.gz CDHATUPCGSVUAA-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430571164 458464104 /nfs/dbraw/zinc/46/41/04/458464104.db2.gz NUPJIEQMRQSGJD-FQEVSTJZSA-N 2 2 341.455 3.380 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)c1 ZINC000430579767 458464775 /nfs/dbraw/zinc/46/47/75/458464775.db2.gz KNWZWQVBEOSNEW-DZGCQCFKSA-N 2 2 331.485 3.378 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)c1 ZINC000430579767 458464782 /nfs/dbraw/zinc/46/47/82/458464782.db2.gz KNWZWQVBEOSNEW-DZGCQCFKSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000430591344 458467996 /nfs/dbraw/zinc/46/79/96/458467996.db2.gz FDJANUGFRQIEAH-AVGNSLFASA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000430591344 458467998 /nfs/dbraw/zinc/46/79/98/458467998.db2.gz FDJANUGFRQIEAH-AVGNSLFASA-N 2 2 343.393 3.092 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000430616965 458471653 /nfs/dbraw/zinc/47/16/53/458471653.db2.gz IXFOEGNCRUHCBT-UHFFFAOYSA-N 2 2 331.485 3.393 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+](C)C3CC[NH2+]CC3)cs2)cc1 ZINC000430616965 458471657 /nfs/dbraw/zinc/47/16/57/458471657.db2.gz IXFOEGNCRUHCBT-UHFFFAOYSA-N 2 2 331.485 3.393 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430632347 458472606 /nfs/dbraw/zinc/47/26/06/458472606.db2.gz XBXMEKZSUFUZKG-SFHVURJKSA-N 2 2 343.515 3.284 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430632347 458472613 /nfs/dbraw/zinc/47/26/13/458472613.db2.gz XBXMEKZSUFUZKG-SFHVURJKSA-N 2 2 343.515 3.284 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430628259 458472980 /nfs/dbraw/zinc/47/29/80/458472980.db2.gz VFPUYGCJUQFTRP-SFHVURJKSA-N 2 2 337.467 3.370 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430628259 458472985 /nfs/dbraw/zinc/47/29/85/458472985.db2.gz VFPUYGCJUQFTRP-SFHVURJKSA-N 2 2 337.467 3.370 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423815529 458489554 /nfs/dbraw/zinc/48/95/54/458489554.db2.gz VFCTYMCYSLIHTB-KBPBESRZSA-N 2 2 328.460 3.197 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430917935 458505067 /nfs/dbraw/zinc/50/50/67/458505067.db2.gz FKPFCAYGXYNHBZ-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430917935 458505069 /nfs/dbraw/zinc/50/50/69/458505069.db2.gz FKPFCAYGXYNHBZ-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000430954880 458509665 /nfs/dbraw/zinc/50/96/65/458509665.db2.gz XUZKQQDKLNWMJM-OAHLLOKOSA-N 2 2 341.480 3.057 20 0 EGADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000430954880 458509671 /nfs/dbraw/zinc/50/96/71/458509671.db2.gz XUZKQQDKLNWMJM-OAHLLOKOSA-N 2 2 341.480 3.057 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000431026762 458518587 /nfs/dbraw/zinc/51/85/87/458518587.db2.gz YBXZMLVJAWOZPY-MRXNPFEDSA-N 2 2 344.459 3.445 20 0 EGADLP CCC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000431085000 458526867 /nfs/dbraw/zinc/52/68/67/458526867.db2.gz IRNUIGNYCUDGBR-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000431085000 458526873 /nfs/dbraw/zinc/52/68/73/458526873.db2.gz IRNUIGNYCUDGBR-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP CC(C)c1csc([C@@H]2CCC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)n1 ZINC000431095227 458528963 /nfs/dbraw/zinc/52/89/63/458528963.db2.gz UFLCYTAWIKUMAC-GFCCVEGCSA-N 2 2 349.504 3.223 20 0 EGADLP CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)n1 ZINC000431095227 458528968 /nfs/dbraw/zinc/52/89/68/458528968.db2.gz UFLCYTAWIKUMAC-GFCCVEGCSA-N 2 2 349.504 3.223 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(C)(C)[C@@H]3C(C)C)c2cc1C ZINC000431126529 458532867 /nfs/dbraw/zinc/53/28/67/458532867.db2.gz GGNIWNCOWOTPPO-APWZRJJASA-N 2 2 329.488 3.380 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(C)(C)[C@@H]3C(C)C)c2cc1C ZINC000431126529 458532872 /nfs/dbraw/zinc/53/28/72/458532872.db2.gz GGNIWNCOWOTPPO-APWZRJJASA-N 2 2 329.488 3.380 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000493839958 458583437 /nfs/dbraw/zinc/58/34/37/458583437.db2.gz VAGHPZIWNZZGAF-MDZDMXLPSA-N 2 2 340.471 3.361 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000493839958 458583441 /nfs/dbraw/zinc/58/34/41/458583441.db2.gz VAGHPZIWNZZGAF-MDZDMXLPSA-N 2 2 340.471 3.361 20 0 EGADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[N@H+](CC)CCO ZINC000469774203 458590856 /nfs/dbraw/zinc/59/08/56/458590856.db2.gz DJNRBBLVVKCSKH-HNNXBMFYSA-N 2 2 333.303 3.218 20 0 EGADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[N@@H+](CC)CCO ZINC000469774203 458590867 /nfs/dbraw/zinc/59/08/67/458590867.db2.gz DJNRBBLVVKCSKH-HNNXBMFYSA-N 2 2 333.303 3.218 20 0 EGADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CCC(F)(F)F ZINC000377990910 458591644 /nfs/dbraw/zinc/59/16/44/458591644.db2.gz BCTSNMTXZKCOEL-UHFFFAOYSA-N 3 2 335.458 3.067 20 0 EGADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CCC(F)(F)F ZINC000377990910 458591650 /nfs/dbraw/zinc/59/16/50/458591650.db2.gz BCTSNMTXZKCOEL-UHFFFAOYSA-N 3 2 335.458 3.067 20 0 EGADLP CC(C)c1cc(NCc2cn3cc(Cl)ccc3[nH+]2)nc(N(C)C)[nH+]1 ZINC000462088556 458594518 /nfs/dbraw/zinc/59/45/18/458594518.db2.gz NQAMJMHSBINCFH-UHFFFAOYSA-N 2 2 344.850 3.001 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790815 458655180 /nfs/dbraw/zinc/65/51/80/458655180.db2.gz JCERIYJSJNEHNI-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790815 458655185 /nfs/dbraw/zinc/65/51/85/458655185.db2.gz JCERIYJSJNEHNI-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790815 458655192 /nfs/dbraw/zinc/65/51/92/458655192.db2.gz JCERIYJSJNEHNI-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790815 458655199 /nfs/dbraw/zinc/65/51/99/458655199.db2.gz JCERIYJSJNEHNI-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000494410827 458672433 /nfs/dbraw/zinc/67/24/33/458672433.db2.gz HLPRNRYIILJYGZ-DOMZBBRYSA-N 2 2 334.261 3.354 20 0 EGADLP CC[C@@H](Nc1cc(C)cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471687176 458712829 /nfs/dbraw/zinc/71/28/29/458712829.db2.gz IJGSQLWLFIDABF-MOPGFXCFSA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@@H](Nc1cc(C)cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471687176 458712833 /nfs/dbraw/zinc/71/28/33/458712833.db2.gz IJGSQLWLFIDABF-MOPGFXCFSA-N 2 2 325.456 3.482 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2csc(C(C)(C)C)n2)CCCO1 ZINC000432362225 458725356 /nfs/dbraw/zinc/72/53/56/458725356.db2.gz JERSFKWZSBGKME-AWEZNQCLSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2csc(C(C)(C)C)n2)CCCO1 ZINC000432362225 458725362 /nfs/dbraw/zinc/72/53/62/458725362.db2.gz JERSFKWZSBGKME-AWEZNQCLSA-N 2 2 325.522 3.031 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000547823028 458800765 /nfs/dbraw/zinc/80/07/65/458800765.db2.gz URDRKDBYIDPRIR-UHFFFAOYSA-N 2 2 338.249 3.224 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)c2cc1C ZINC000547833093 458802167 /nfs/dbraw/zinc/80/21/67/458802167.db2.gz XJTHNDUNOMICBR-BVPBIZIASA-N 2 2 329.488 3.428 20 0 EGADLP Cc1[nH+]c2c(n1C[C@@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)CCCC2 ZINC000519064867 458911975 /nfs/dbraw/zinc/91/19/75/458911975.db2.gz VNHWGOJPEYFPQD-INIZCTEOSA-N 2 2 338.455 3.098 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329878 458919889 /nfs/dbraw/zinc/91/98/89/458919889.db2.gz YPSCWSTYXJMITA-FXAWDEMLSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329878 458919895 /nfs/dbraw/zinc/91/98/95/458919895.db2.gz YPSCWSTYXJMITA-FXAWDEMLSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441329878 458919901 /nfs/dbraw/zinc/91/99/01/458919901.db2.gz YPSCWSTYXJMITA-FXAWDEMLSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441329878 458919904 /nfs/dbraw/zinc/91/99/04/458919904.db2.gz YPSCWSTYXJMITA-FXAWDEMLSA-N 2 2 345.531 3.232 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441332344 458921051 /nfs/dbraw/zinc/92/10/51/458921051.db2.gz QYCOFXVHQMVKPL-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441332344 458921056 /nfs/dbraw/zinc/92/10/56/458921056.db2.gz QYCOFXVHQMVKPL-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441332344 458921059 /nfs/dbraw/zinc/92/10/59/458921059.db2.gz QYCOFXVHQMVKPL-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441332344 458921063 /nfs/dbraw/zinc/92/10/63/458921063.db2.gz QYCOFXVHQMVKPL-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000441392656 458935518 /nfs/dbraw/zinc/93/55/18/458935518.db2.gz DTQSAECOSXFYJK-KXBFYZLASA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000441392656 458935525 /nfs/dbraw/zinc/93/55/25/458935525.db2.gz DTQSAECOSXFYJK-KXBFYZLASA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000441392656 458935532 /nfs/dbraw/zinc/93/55/32/458935532.db2.gz DTQSAECOSXFYJK-KXBFYZLASA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000441392656 458935537 /nfs/dbraw/zinc/93/55/37/458935537.db2.gz DTQSAECOSXFYJK-KXBFYZLASA-N 2 2 345.462 3.021 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000556387525 458956837 /nfs/dbraw/zinc/95/68/37/458956837.db2.gz UOOXSZDTOGGZLF-FQEVSTJZSA-N 2 2 343.902 3.342 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000556387525 458956845 /nfs/dbraw/zinc/95/68/45/458956845.db2.gz UOOXSZDTOGGZLF-FQEVSTJZSA-N 2 2 343.902 3.342 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000531702935 458963842 /nfs/dbraw/zinc/96/38/42/458963842.db2.gz ULIVZMIXGQSTLI-JENIJYKNSA-N 2 2 331.504 3.059 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000531702935 458963847 /nfs/dbraw/zinc/96/38/47/458963847.db2.gz ULIVZMIXGQSTLI-JENIJYKNSA-N 2 2 331.504 3.059 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000495849904 458975712 /nfs/dbraw/zinc/97/57/12/458975712.db2.gz LUDPQSCYMBXNFS-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000495849904 458975715 /nfs/dbraw/zinc/97/57/15/458975715.db2.gz LUDPQSCYMBXNFS-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000566969725 459029667 /nfs/dbraw/zinc/02/96/67/459029667.db2.gz LGNOROIKPRWTDG-WIYYLYMNSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000566969725 459029674 /nfs/dbraw/zinc/02/96/74/459029674.db2.gz LGNOROIKPRWTDG-WIYYLYMNSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000577741456 459087623 /nfs/dbraw/zinc/08/76/23/459087623.db2.gz LURATOHVJRUXCI-CJNGLKHVSA-N 2 2 330.394 3.115 20 0 EGADLP CSCC1(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000594716011 459138681 /nfs/dbraw/zinc/13/86/81/459138681.db2.gz GMUQNLXDRCUNQB-MRXNPFEDSA-N 2 2 347.528 3.137 20 0 EGADLP COc1ccc(COCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000594721851 459139713 /nfs/dbraw/zinc/13/97/13/459139713.db2.gz GDOOCTYNKOCPLH-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP C[C@@H]1[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000567708469 459150597 /nfs/dbraw/zinc/15/05/97/459150597.db2.gz PFBHVWBCUHXXLD-YLJYHZDGSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@@H]1[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000567708469 459150602 /nfs/dbraw/zinc/15/06/02/459150602.db2.gz PFBHVWBCUHXXLD-YLJYHZDGSA-N 2 2 337.467 3.268 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000567787513 459167588 /nfs/dbraw/zinc/16/75/88/459167588.db2.gz JNOBINQKPUULMI-AWEZNQCLSA-N 2 2 338.521 3.092 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244959 459169607 /nfs/dbraw/zinc/16/96/07/459169607.db2.gz XAIZLJWQSRDDSZ-BXUZGUMPSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244959 459169613 /nfs/dbraw/zinc/16/96/13/459169613.db2.gz XAIZLJWQSRDDSZ-BXUZGUMPSA-N 2 2 349.276 3.151 20 0 EGADLP FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000532990090 459171657 /nfs/dbraw/zinc/17/16/57/459171657.db2.gz UJXOAWHODCWISB-MRXNPFEDSA-N 2 2 339.361 3.416 20 0 EGADLP FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000532990090 459171664 /nfs/dbraw/zinc/17/16/64/459171664.db2.gz UJXOAWHODCWISB-MRXNPFEDSA-N 2 2 339.361 3.416 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1cccc2[nH+]ccn21)NC(=O)OC(C)(C)C ZINC000496457627 459199929 /nfs/dbraw/zinc/19/99/29/459199929.db2.gz FBCIDGNNDXTCKT-ZIAGYGMSSA-N 2 2 332.448 3.116 20 0 EGADLP O=C(NCC[NH+]1CCCCCC1)c1ccccc1Oc1cc[nH+]cc1 ZINC000558714736 459201452 /nfs/dbraw/zinc/20/14/52/459201452.db2.gz UFQIMAVFXMZFKQ-UHFFFAOYSA-N 2 2 339.439 3.480 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000578523917 459216392 /nfs/dbraw/zinc/21/63/92/459216392.db2.gz VKKQMMCJFWGQMP-SJORKVTESA-N 2 2 347.503 3.122 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c[nH+]1 ZINC000522139004 459218404 /nfs/dbraw/zinc/21/84/04/459218404.db2.gz ISGKAWPFJCMODN-UHFFFAOYSA-N 2 2 326.444 3.024 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447108 459237616 /nfs/dbraw/zinc/23/76/16/459237616.db2.gz ATWOGWIMQMZKFK-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447108 459237624 /nfs/dbraw/zinc/23/76/24/459237624.db2.gz ATWOGWIMQMZKFK-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447108 459237630 /nfs/dbraw/zinc/23/76/30/459237630.db2.gz ATWOGWIMQMZKFK-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447108 459237637 /nfs/dbraw/zinc/23/76/37/459237637.db2.gz ATWOGWIMQMZKFK-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CCc1ccc(CC[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000522444166 459243670 /nfs/dbraw/zinc/24/36/70/459243670.db2.gz GOYKRSDBGBVUBJ-UHFFFAOYSA-N 2 2 325.456 3.017 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccn1 ZINC000559246929 459244594 /nfs/dbraw/zinc/24/45/94/459244594.db2.gz JJUHCIRFAMDZIT-HZPDHXFCSA-N 2 2 340.471 3.361 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000595389139 459289496 /nfs/dbraw/zinc/28/94/96/459289496.db2.gz LKVQMAIZOVTQHJ-MRXNPFEDSA-N 2 2 335.835 3.081 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000595389139 459289497 /nfs/dbraw/zinc/28/94/97/459289497.db2.gz LKVQMAIZOVTQHJ-MRXNPFEDSA-N 2 2 335.835 3.081 20 0 EGADLP Cc1[nH]c(CNc2ccc(C[NH+]3CCSCC3)cc2C)[nH+]c1C ZINC000568532729 459305512 /nfs/dbraw/zinc/30/55/12/459305512.db2.gz JPOCBIBNULWGRX-UHFFFAOYSA-N 2 2 330.501 3.496 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000496773506 459318261 /nfs/dbraw/zinc/31/82/61/459318261.db2.gz OZLLYUMYXDEYMQ-OAHLLOKOSA-N 2 2 349.475 3.146 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@H](C)C1 ZINC000560581232 459376169 /nfs/dbraw/zinc/37/61/69/459376169.db2.gz GNZWVEGMDWYDNH-OCCSQVGLSA-N 2 2 346.393 3.414 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@H](C)C1 ZINC000560581232 459376173 /nfs/dbraw/zinc/37/61/73/459376173.db2.gz GNZWVEGMDWYDNH-OCCSQVGLSA-N 2 2 346.393 3.414 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000524684835 459380058 /nfs/dbraw/zinc/38/00/58/459380058.db2.gz QLEVEJHJRIDDKQ-CQSZACIVSA-N 2 2 345.878 3.079 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000540918159 459402661 /nfs/dbraw/zinc/40/26/61/459402661.db2.gz CFUSSYQVPIKIBS-LBPRGKRZSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000540918159 459402667 /nfs/dbraw/zinc/40/26/67/459402667.db2.gz CFUSSYQVPIKIBS-LBPRGKRZSA-N 2 2 343.818 3.113 20 0 EGADLP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000525121225 459417020 /nfs/dbraw/zinc/41/70/20/459417020.db2.gz AWRIEVJRBLXHON-IBGZPJMESA-N 2 2 338.495 3.427 20 0 EGADLP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000525121225 459417022 /nfs/dbraw/zinc/41/70/22/459417022.db2.gz AWRIEVJRBLXHON-IBGZPJMESA-N 2 2 338.495 3.427 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000497056813 459421581 /nfs/dbraw/zinc/42/15/81/459421581.db2.gz LUXHSKLDOJYQLS-QGZVFWFLSA-N 2 2 333.476 3.216 20 0 EGADLP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc3c(c1)[nH+]c(C1CC1)n3C)CC2 ZINC000561309241 459441787 /nfs/dbraw/zinc/44/17/87/459441787.db2.gz ANMMGDRHUZJQJI-AWEZNQCLSA-N 2 2 349.438 3.157 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccn(C)n1 ZINC000541744106 459486774 /nfs/dbraw/zinc/48/67/74/459486774.db2.gz CBZSKYPOCQCCKJ-GOSISDBHSA-N 2 2 330.451 3.265 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000542765737 459590188 /nfs/dbraw/zinc/59/01/88/459590188.db2.gz NMQUYESABXGPRU-KURKYZTESA-N 2 2 343.519 3.309 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655392 459687330 /nfs/dbraw/zinc/68/73/30/459687330.db2.gz DIDNTHBUGNIWFV-CABZTGNLSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655392 459687335 /nfs/dbraw/zinc/68/73/35/459687335.db2.gz DIDNTHBUGNIWFV-CABZTGNLSA-N 2 2 333.220 3.157 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856663 459707653 /nfs/dbraw/zinc/70/76/53/459707653.db2.gz RBYFQOSITPKHHW-UXHICEINSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856663 459707659 /nfs/dbraw/zinc/70/76/59/459707659.db2.gz RBYFQOSITPKHHW-UXHICEINSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543856663 459707667 /nfs/dbraw/zinc/70/76/67/459707667.db2.gz RBYFQOSITPKHHW-UXHICEINSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543856663 459707672 /nfs/dbraw/zinc/70/76/72/459707672.db2.gz RBYFQOSITPKHHW-UXHICEINSA-N 2 2 346.515 3.418 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544347641 459750030 /nfs/dbraw/zinc/75/00/30/459750030.db2.gz OUWKAOVHCBFMAL-BVYCBKJFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544347641 459750036 /nfs/dbraw/zinc/75/00/36/459750036.db2.gz OUWKAOVHCBFMAL-BVYCBKJFSA-N 2 2 338.495 3.090 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1 ZINC000563286456 459757245 /nfs/dbraw/zinc/75/72/45/459757245.db2.gz QZQKHHUNHOBYMY-UHFFFAOYSA-N 2 2 328.460 3.225 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000574151236 459785110 /nfs/dbraw/zinc/78/51/10/459785110.db2.gz PMHHUDXFUQLVFG-DZFGPLHGSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000584796286 459804206 /nfs/dbraw/zinc/80/42/06/459804206.db2.gz LZUTVVXTGZALJY-GUYCJALGSA-N 2 2 328.472 3.313 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[nH+]1 ZINC000566329430 459843532 /nfs/dbraw/zinc/84/35/32/459843532.db2.gz FPHDEQVEUZTZAB-AWEZNQCLSA-N 2 2 335.411 3.091 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1)OCc1ccccc1 ZINC000566425724 459865414 /nfs/dbraw/zinc/86/54/14/459865414.db2.gz FWMNQGSVLWSQSL-MOPGFXCFSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1)OCc1ccccc1 ZINC000566425724 459865422 /nfs/dbraw/zinc/86/54/22/459865422.db2.gz FWMNQGSVLWSQSL-MOPGFXCFSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689735 459971774 /nfs/dbraw/zinc/97/17/74/459971774.db2.gz QVVDOUGXXDOTKL-WBVHZDCISA-N 2 2 332.875 3.484 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689735 459971775 /nfs/dbraw/zinc/97/17/75/459971775.db2.gz QVVDOUGXXDOTKL-WBVHZDCISA-N 2 2 332.875 3.484 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602566110 459998800 /nfs/dbraw/zinc/99/88/00/459998800.db2.gz DFRTYECQJXVKOY-KTASIVBBSA-N 2 2 334.529 3.101 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602566110 459998803 /nfs/dbraw/zinc/99/88/03/459998803.db2.gz DFRTYECQJXVKOY-KTASIVBBSA-N 2 2 334.529 3.101 20 0 EGADLP C[N@H+](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)CC(C)(C)C ZINC000588903402 460001502 /nfs/dbraw/zinc/00/15/02/460001502.db2.gz XBNKDZFBKPTGPU-UHFFFAOYSA-N 2 2 338.521 3.045 20 0 EGADLP C[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)CC(C)(C)C ZINC000588903402 460001510 /nfs/dbraw/zinc/00/15/10/460001510.db2.gz XBNKDZFBKPTGPU-UHFFFAOYSA-N 2 2 338.521 3.045 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000602647158 460041925 /nfs/dbraw/zinc/04/19/25/460041925.db2.gz IBNQPSOALNHHEW-YJLYGGOZSA-N 2 2 346.540 3.245 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000602647158 460041926 /nfs/dbraw/zinc/04/19/26/460041926.db2.gz IBNQPSOALNHHEW-YJLYGGOZSA-N 2 2 346.540 3.245 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618661191 460111913 /nfs/dbraw/zinc/11/19/13/460111913.db2.gz UEKLQAYAQDERLO-KRWDZBQOSA-N 2 2 338.455 3.009 20 0 EGADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618661191 460111918 /nfs/dbraw/zinc/11/19/18/460111918.db2.gz UEKLQAYAQDERLO-KRWDZBQOSA-N 2 2 338.455 3.009 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000576749780 460205268 /nfs/dbraw/zinc/20/52/68/460205268.db2.gz XCDQEZBHFGFKHJ-IAGOWNOFSA-N 2 2 348.450 3.030 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798892 460267874 /nfs/dbraw/zinc/26/78/74/460267874.db2.gz HPXXKNDJBPISLK-UTKZUKDTSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798892 460267880 /nfs/dbraw/zinc/26/78/80/460267880.db2.gz HPXXKNDJBPISLK-UTKZUKDTSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798892 460267883 /nfs/dbraw/zinc/26/78/83/460267883.db2.gz HPXXKNDJBPISLK-UTKZUKDTSA-N 2 2 342.483 3.361 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(-n3c[nH+]c(C)c3C)cc1)C2 ZINC000615114150 460277500 /nfs/dbraw/zinc/27/75/00/460277500.db2.gz CUJBDABQJKHKGP-HNNXBMFYSA-N 2 2 349.438 3.264 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(-n3c[nH+]c(C)c3C)cc1)CC2 ZINC000615114150 460277503 /nfs/dbraw/zinc/27/75/03/460277503.db2.gz CUJBDABQJKHKGP-HNNXBMFYSA-N 2 2 349.438 3.264 20 0 EGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)OC)c1ccccc1 ZINC000599659817 460301297 /nfs/dbraw/zinc/30/12/97/460301297.db2.gz JUHGAQVJDHUBRH-FQEVSTJZSA-N 2 2 340.467 3.484 20 0 EGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)OC)c1ccccc1 ZINC000599659817 460301302 /nfs/dbraw/zinc/30/13/02/460301302.db2.gz JUHGAQVJDHUBRH-FQEVSTJZSA-N 2 2 340.467 3.484 20 0 EGADLP Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000615308361 460307844 /nfs/dbraw/zinc/30/78/44/460307844.db2.gz MHWDLLOMAVEQFX-QAPCUYQASA-N 2 2 339.439 3.347 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCC(C)([NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000631445988 460383008 /nfs/dbraw/zinc/38/30/08/460383008.db2.gz QKHRJABVAVUBEV-KRWDZBQOSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCC(C)([NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000631445988 460383016 /nfs/dbraw/zinc/38/30/16/460383016.db2.gz QKHRJABVAVUBEV-KRWDZBQOSA-N 2 2 343.519 3.168 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000628476229 460430911 /nfs/dbraw/zinc/43/09/11/460430911.db2.gz NTAGLSAJOYBMSE-UHFFFAOYSA-N 2 2 327.472 3.245 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000631655424 460491800 /nfs/dbraw/zinc/49/18/00/460491800.db2.gz RLRSTZUVHJBQNG-RMDDBIGQSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000631655424 460491804 /nfs/dbraw/zinc/49/18/04/460491804.db2.gz RLRSTZUVHJBQNG-RMDDBIGQSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000631662014 460496812 /nfs/dbraw/zinc/49/68/12/460496812.db2.gz WNMOUPDPNPXEQJ-WFASDCNBSA-N 2 2 340.393 3.392 20 0 EGADLP Cc1cccn2cc(CN3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)[nH+]c12 ZINC000605150455 460545552 /nfs/dbraw/zinc/54/55/52/460545552.db2.gz QQFPMCKJDVJNKM-SCTDSRPQSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1cccn2cc(CN3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)[nH+]c12 ZINC000605150455 460545558 /nfs/dbraw/zinc/54/55/58/460545558.db2.gz QQFPMCKJDVJNKM-SCTDSRPQSA-N 2 2 326.488 3.480 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000606903140 460757241 /nfs/dbraw/zinc/75/72/41/460757241.db2.gz DSSKXCIAYPIABO-MRXNPFEDSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000606903140 460757250 /nfs/dbraw/zinc/75/72/50/460757250.db2.gz DSSKXCIAYPIABO-MRXNPFEDSA-N 2 2 341.455 3.268 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000623903171 460769019 /nfs/dbraw/zinc/76/90/19/460769019.db2.gz ZUOXSIVTIGKIAJ-HNNXBMFYSA-N 2 2 345.512 3.259 20 0 EGADLP c1ccc2c(c1)C[NH+](CCC[N@@H+]1CCOc3ccccc3C1)CCO2 ZINC000607150905 460799373 /nfs/dbraw/zinc/79/93/73/460799373.db2.gz MFCQWIORROBRHW-UHFFFAOYSA-N 2 2 338.451 3.166 20 0 EGADLP c1ccc2c(c1)C[NH+](CCC[N@H+]1CCOc3ccccc3C1)CCO2 ZINC000607150905 460799381 /nfs/dbraw/zinc/79/93/81/460799381.db2.gz MFCQWIORROBRHW-UHFFFAOYSA-N 2 2 338.451 3.166 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000629548797 460803523 /nfs/dbraw/zinc/80/35/23/460803523.db2.gz YOLPVPHLJIHIJF-BJJXKVORSA-N 2 2 325.859 3.178 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567673 460813339 /nfs/dbraw/zinc/81/33/39/460813339.db2.gz PVJRFABWTKEBFB-NEPJUHHUSA-N 2 2 336.785 3.178 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567673 460813347 /nfs/dbraw/zinc/81/33/47/460813347.db2.gz PVJRFABWTKEBFB-NEPJUHHUSA-N 2 2 336.785 3.178 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1 ZINC000629702470 460875889 /nfs/dbraw/zinc/87/58/89/460875889.db2.gz NVFWOURZXSUVMT-QGZVFWFLSA-N 2 2 339.483 3.339 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1 ZINC000629702470 460875892 /nfs/dbraw/zinc/87/58/92/460875892.db2.gz NVFWOURZXSUVMT-QGZVFWFLSA-N 2 2 339.483 3.339 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788615 460924397 /nfs/dbraw/zinc/92/43/97/460924397.db2.gz UOUIWQCCNFKQBI-RDJZCZTQSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788615 460924400 /nfs/dbraw/zinc/92/44/00/460924400.db2.gz UOUIWQCCNFKQBI-RDJZCZTQSA-N 2 2 340.471 3.026 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000624256423 460933442 /nfs/dbraw/zinc/93/34/42/460933442.db2.gz RRJIOAZGQPQRQP-IBGZPJMESA-N 2 2 332.463 3.390 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCC1 ZINC000629976062 460983741 /nfs/dbraw/zinc/98/37/41/460983741.db2.gz YQBJDDPEDOOEIO-UHFFFAOYSA-N 2 2 336.439 3.025 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCC1 ZINC000629976062 460983748 /nfs/dbraw/zinc/98/37/48/460983748.db2.gz YQBJDDPEDOOEIO-UHFFFAOYSA-N 2 2 336.439 3.025 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)cc2)c1C ZINC000635951353 460987368 /nfs/dbraw/zinc/98/73/68/460987368.db2.gz SSPJCOCQSBJTFZ-IBGZPJMESA-N 2 2 338.455 3.445 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)cc2)c1C ZINC000635951353 460987373 /nfs/dbraw/zinc/98/73/73/460987373.db2.gz SSPJCOCQSBJTFZ-IBGZPJMESA-N 2 2 338.455 3.445 20 0 EGADLP C[NH2+]C1(CNC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)CCC1 ZINC000630000943 460993560 /nfs/dbraw/zinc/99/35/60/460993560.db2.gz VIXLYLGENXTZSY-UHFFFAOYSA-N 2 2 325.412 3.054 20 0 EGADLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ncc1Br ZINC000628157745 461022198 /nfs/dbraw/zinc/02/21/98/461022198.db2.gz SMXVSPJVDPYKJN-UHFFFAOYSA-N 2 2 335.249 3.186 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190338 461041326 /nfs/dbraw/zinc/04/13/26/461041326.db2.gz CMTKMCSMBRUSKP-KDOFPFPSSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190338 461041331 /nfs/dbraw/zinc/04/13/31/461041331.db2.gz CMTKMCSMBRUSKP-KDOFPFPSSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190338 461041338 /nfs/dbraw/zinc/04/13/38/461041338.db2.gz CMTKMCSMBRUSKP-KDOFPFPSSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190338 461041341 /nfs/dbraw/zinc/04/13/41/461041341.db2.gz CMTKMCSMBRUSKP-KDOFPFPSSA-N 2 2 349.469 3.480 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190363 461041579 /nfs/dbraw/zinc/04/15/79/461041579.db2.gz DJFPMTRNXHFWRA-MLGOLLRUSA-N 2 2 349.276 3.432 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190363 461041584 /nfs/dbraw/zinc/04/15/84/461041584.db2.gz DJFPMTRNXHFWRA-MLGOLLRUSA-N 2 2 349.276 3.432 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649476390 461113464 /nfs/dbraw/zinc/11/34/64/461113464.db2.gz DTQXQHJAJYNGCL-JKSUJKDBSA-N 2 2 344.528 3.069 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649476390 461113469 /nfs/dbraw/zinc/11/34/69/461113469.db2.gz DTQXQHJAJYNGCL-JKSUJKDBSA-N 2 2 344.528 3.069 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[NH+]3CCC(C)CC3)cc2[nH+]1 ZINC000668151627 461137956 /nfs/dbraw/zinc/13/79/56/461137956.db2.gz KGKSKPOCCVXBJB-UHFFFAOYSA-N 2 2 343.475 3.276 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950363 461147738 /nfs/dbraw/zinc/14/77/38/461147738.db2.gz CPAMIOJDFJNSER-GDBMZVCRSA-N 2 2 327.428 3.294 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950363 461147749 /nfs/dbraw/zinc/14/77/49/461147749.db2.gz CPAMIOJDFJNSER-GDBMZVCRSA-N 2 2 327.428 3.294 20 0 EGADLP Fc1ccc2c(c1)onc2C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668178320 461161556 /nfs/dbraw/zinc/16/15/56/461161556.db2.gz SYSTYOZMCVBZNR-UHFFFAOYSA-N 2 2 340.402 3.489 20 0 EGADLP CC[N@@H+](Cc1snnc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545806 461163937 /nfs/dbraw/zinc/16/39/37/461163937.db2.gz UPYMMAJYAXLTQO-KRWDZBQOSA-N 2 2 330.501 3.191 20 0 EGADLP CC[N@H+](Cc1snnc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545806 461163944 /nfs/dbraw/zinc/16/39/44/461163944.db2.gz UPYMMAJYAXLTQO-KRWDZBQOSA-N 2 2 330.501 3.191 20 0 EGADLP CC[NH+](Cc1snnc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649545806 461163949 /nfs/dbraw/zinc/16/39/49/461163949.db2.gz UPYMMAJYAXLTQO-KRWDZBQOSA-N 2 2 330.501 3.191 20 0 EGADLP CC[NH+](Cc1snnc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545806 461163957 /nfs/dbraw/zinc/16/39/57/461163957.db2.gz UPYMMAJYAXLTQO-KRWDZBQOSA-N 2 2 330.501 3.191 20 0 EGADLP COCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(F)c(Cl)c1 ZINC000668227544 461192722 /nfs/dbraw/zinc/19/27/22/461192722.db2.gz MYJFURVZWKNDAX-UHFFFAOYSA-N 2 2 325.815 3.170 20 0 EGADLP COCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(F)c(Cl)c1 ZINC000668227544 461192726 /nfs/dbraw/zinc/19/27/26/461192726.db2.gz MYJFURVZWKNDAX-UHFFFAOYSA-N 2 2 325.815 3.170 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000649618937 461226844 /nfs/dbraw/zinc/22/68/44/461226844.db2.gz RXTWSWKNNDQKPT-MRXNPFEDSA-N 2 2 340.870 3.255 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000649618937 461226847 /nfs/dbraw/zinc/22/68/47/461226847.db2.gz RXTWSWKNNDQKPT-MRXNPFEDSA-N 2 2 340.870 3.255 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2[nH+]1 ZINC000655444315 461255196 /nfs/dbraw/zinc/25/51/96/461255196.db2.gz AWPZCSVZPURUGB-KUHUBIRLSA-N 2 2 326.444 3.234 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630746603 461283038 /nfs/dbraw/zinc/28/30/38/461283038.db2.gz DLFDWIXYTUDOEN-MRXNPFEDSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630746603 461283050 /nfs/dbraw/zinc/28/30/50/461283050.db2.gz DLFDWIXYTUDOEN-MRXNPFEDSA-N 2 2 340.471 3.461 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519521 461313922 /nfs/dbraw/zinc/31/39/22/461313922.db2.gz XYACPWZQCRSPSA-PXNSSMCTSA-N 2 2 342.487 3.031 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519521 461313928 /nfs/dbraw/zinc/31/39/28/461313928.db2.gz XYACPWZQCRSPSA-PXNSSMCTSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519521 461313934 /nfs/dbraw/zinc/31/39/34/461313934.db2.gz XYACPWZQCRSPSA-PXNSSMCTSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519521 461313940 /nfs/dbraw/zinc/31/39/40/461313940.db2.gz XYACPWZQCRSPSA-PXNSSMCTSA-N 2 2 342.487 3.031 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1nc2ccccc2n1C(F)F ZINC000641704716 461328549 /nfs/dbraw/zinc/32/85/49/461328549.db2.gz KBVDEVBMRBQLDT-LLVKDONJSA-N 2 2 331.370 3.425 20 0 EGADLP c1sc(-c2ccccc2)nc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655701276 461371520 /nfs/dbraw/zinc/37/15/20/461371520.db2.gz QWWRAZHJZSWELH-GOSISDBHSA-N 2 2 343.496 3.153 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000655711325 461379654 /nfs/dbraw/zinc/37/96/54/461379654.db2.gz HJTSUUCVCDWPCX-UHFFFAOYSA-N 2 2 342.462 3.284 20 0 EGADLP Cc1csc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)n1 ZINC000655720539 461388949 /nfs/dbraw/zinc/38/89/49/461388949.db2.gz YYLFKPJZFAJGAS-IAGOWNOFSA-N 2 2 335.517 3.136 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000668714602 461392106 /nfs/dbraw/zinc/39/21/06/461392106.db2.gz CJCVRFUBDSQTIU-OAHLLOKOSA-N 2 2 331.287 3.489 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000668716064 461394194 /nfs/dbraw/zinc/39/41/94/461394194.db2.gz QZUKBDGBSKPABN-OAHLLOKOSA-N 2 2 329.271 3.243 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426539 461422592 /nfs/dbraw/zinc/42/25/92/461422592.db2.gz UQHYIEKJPOKILV-WDYCEAGBSA-N 2 2 343.515 3.247 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426539 461422597 /nfs/dbraw/zinc/42/25/97/461422597.db2.gz UQHYIEKJPOKILV-WDYCEAGBSA-N 2 2 343.515 3.247 20 0 EGADLP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655757846 461425543 /nfs/dbraw/zinc/42/55/43/461425543.db2.gz YKQOXCGCXGOMMK-FUHWJXTLSA-N 2 2 334.529 3.319 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000668793835 461437196 /nfs/dbraw/zinc/43/71/96/461437196.db2.gz QEXSMWWMWHWGPS-UHFFFAOYSA-N 2 2 338.480 3.471 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC2CCC1CC2 ZINC000638458079 461438376 /nfs/dbraw/zinc/43/83/76/461438376.db2.gz AIJAMLPRCBIPRB-FRVUEHSBSA-N 3 2 333.564 3.349 20 0 EGADLP CN(CC[NH+]1CCCCC1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000652991941 461446028 /nfs/dbraw/zinc/44/60/28/461446028.db2.gz XKPHFPIKTAQXQC-UHFFFAOYSA-N 2 2 339.439 3.432 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638480919 461446894 /nfs/dbraw/zinc/44/68/94/461446894.db2.gz CEBYKFUYVKYSQN-UHFFFAOYSA-N 2 2 346.302 3.166 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086390 461448978 /nfs/dbraw/zinc/44/89/78/461448978.db2.gz JRKDBZGYBCMAAZ-HKUYNNGSSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086390 461448985 /nfs/dbraw/zinc/44/89/85/461448985.db2.gz JRKDBZGYBCMAAZ-HKUYNNGSSA-N 2 2 338.499 3.392 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000653061831 461483251 /nfs/dbraw/zinc/48/32/51/461483251.db2.gz AECRENDMQPELLC-CQSZACIVSA-N 2 2 347.846 3.350 20 0 EGADLP CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075221 461489139 /nfs/dbraw/zinc/48/91/39/461489139.db2.gz KAQKPXFZIUIACF-HNNXBMFYSA-N 2 2 346.302 3.009 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848046 461496609 /nfs/dbraw/zinc/49/66/09/461496609.db2.gz AAOVKODQDHXWQQ-VAMGGRTRSA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848046 461496614 /nfs/dbraw/zinc/49/66/14/461496614.db2.gz AAOVKODQDHXWQQ-VAMGGRTRSA-N 2 2 334.479 3.380 20 0 EGADLP C[C@H](Oc1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653092744 461497414 /nfs/dbraw/zinc/49/74/14/461497414.db2.gz KEQHEYJOUZHFGB-DOTOQJQBSA-N 2 2 341.455 3.044 20 0 EGADLP C[C@H](Oc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653092746 461497833 /nfs/dbraw/zinc/49/78/33/461497833.db2.gz KEQHEYJOUZHFGB-RDJZCZTQSA-N 2 2 341.455 3.044 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655849864 461499271 /nfs/dbraw/zinc/49/92/71/461499271.db2.gz ZSLLOKFNUOHGIB-ZWKOTPCHSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849864 461499276 /nfs/dbraw/zinc/49/92/76/461499276.db2.gz ZSLLOKFNUOHGIB-ZWKOTPCHSA-N 2 2 335.536 3.020 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1OCCO2 ZINC000655857519 461507184 /nfs/dbraw/zinc/50/71/84/461507184.db2.gz VLHSOUGOMFBIHR-HZPDHXFCSA-N 2 2 336.863 3.218 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1OCCO2 ZINC000655857519 461507188 /nfs/dbraw/zinc/50/71/88/461507188.db2.gz VLHSOUGOMFBIHR-HZPDHXFCSA-N 2 2 336.863 3.218 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000631068991 461521577 /nfs/dbraw/zinc/52/15/77/461521577.db2.gz KERRPAPCUCSZGD-MRXNPFEDSA-N 2 2 325.456 3.255 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000631068991 461521582 /nfs/dbraw/zinc/52/15/82/461521582.db2.gz KERRPAPCUCSZGD-MRXNPFEDSA-N 2 2 325.456 3.255 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631097905 461547338 /nfs/dbraw/zinc/54/73/38/461547338.db2.gz IJVOXRPGUCBAMA-AWEZNQCLSA-N 2 2 340.309 3.302 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631097905 461547347 /nfs/dbraw/zinc/54/73/47/461547347.db2.gz IJVOXRPGUCBAMA-AWEZNQCLSA-N 2 2 340.309 3.302 20 0 EGADLP C[C@@H](CC[NH2+]Cc1ccncc1Br)[NH+]1CCCCC1 ZINC000631112009 461559901 /nfs/dbraw/zinc/55/99/01/461559901.db2.gz SIUBWXPVULEAOL-ZDUSSCGKSA-N 2 2 326.282 3.198 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663344820 461573462 /nfs/dbraw/zinc/57/34/62/461573462.db2.gz YCKKUFGZCHSBIC-OAHLLOKOSA-N 2 2 336.451 3.055 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663344820 461573469 /nfs/dbraw/zinc/57/34/69/461573469.db2.gz YCKKUFGZCHSBIC-OAHLLOKOSA-N 2 2 336.451 3.055 20 0 EGADLP CC[C@@H](C)[C@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)OC ZINC000638779564 461576719 /nfs/dbraw/zinc/57/67/19/461576719.db2.gz ORJFVNKJAZDKTE-QAPCUYQASA-N 2 2 334.508 3.085 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000631150835 461593133 /nfs/dbraw/zinc/59/31/33/461593133.db2.gz VVLFLPBRSZJHKL-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP COCCOc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647262526 461597624 /nfs/dbraw/zinc/59/76/24/461597624.db2.gz BQRDSFNGZWNKTN-UHFFFAOYSA-N 2 2 339.439 3.000 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643067090 461601759 /nfs/dbraw/zinc/60/17/59/461601759.db2.gz XWQZJJPEELAMAY-BBRMVZONSA-N 2 2 328.378 3.158 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643067090 461601766 /nfs/dbraw/zinc/60/17/66/461601766.db2.gz XWQZJJPEELAMAY-BBRMVZONSA-N 2 2 328.378 3.158 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638825747 461601929 /nfs/dbraw/zinc/60/19/29/461601929.db2.gz ARKZFNZIVARSDZ-ZOBUZTSGSA-N 2 2 342.405 3.257 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638825747 461601937 /nfs/dbraw/zinc/60/19/37/461601937.db2.gz ARKZFNZIVARSDZ-ZOBUZTSGSA-N 2 2 342.405 3.257 20 0 EGADLP Cc1nc(N(C)C2CC[NH+](C(C)C)CC2)c(Br)c(C)[nH+]1 ZINC000663379664 461602603 /nfs/dbraw/zinc/60/26/03/461602603.db2.gz NMJTWTSQRHSZQA-UHFFFAOYSA-N 2 2 341.297 3.165 20 0 EGADLP c1ccc2cc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)[nH+]cc2c1 ZINC000631173721 461614629 /nfs/dbraw/zinc/61/46/29/461614629.db2.gz QWWZVHGWOVOERQ-LJQANCHMSA-N 2 2 325.456 3.316 20 0 EGADLP OC1CC[NH+](CCCNc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000663402612 461622624 /nfs/dbraw/zinc/62/26/24/461622624.db2.gz LULFURVXLZTKCD-UHFFFAOYSA-N 2 2 337.826 3.286 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000647305377 461625274 /nfs/dbraw/zinc/62/52/74/461625274.db2.gz ISVGSDYOIUXNFZ-ICSRJNTNSA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000647305377 461625285 /nfs/dbraw/zinc/62/52/85/461625285.db2.gz ISVGSDYOIUXNFZ-ICSRJNTNSA-N 2 2 334.504 3.219 20 0 EGADLP Fc1ccc([C@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466212 461655495 /nfs/dbraw/zinc/65/54/95/461655495.db2.gz PNGUNNPHMGHDQR-APWZRJJASA-N 2 2 342.462 3.350 20 0 EGADLP Fc1ccc([C@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466212 461655501 /nfs/dbraw/zinc/65/55/01/461655501.db2.gz PNGUNNPHMGHDQR-APWZRJJASA-N 2 2 342.462 3.350 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)cn21 ZINC000647364936 461659317 /nfs/dbraw/zinc/65/93/17/461659317.db2.gz SJELOWDSMYKVIT-OAHLLOKOSA-N 2 2 348.450 3.421 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000660244443 461660556 /nfs/dbraw/zinc/66/05/56/461660556.db2.gz HSNPPAPROWZFQT-OALUTQOASA-N 2 2 332.536 3.353 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)oc21 ZINC000660255878 461669803 /nfs/dbraw/zinc/66/98/03/461669803.db2.gz AWVAZSXHNVPVHK-GOEBONIOSA-N 2 2 334.460 3.183 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255878 461669812 /nfs/dbraw/zinc/66/98/12/461669812.db2.gz AWVAZSXHNVPVHK-GOEBONIOSA-N 2 2 334.460 3.183 20 0 EGADLP Cc1ncc([C@@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075087 461710630 /nfs/dbraw/zinc/71/06/30/461710630.db2.gz DHXQCYSNFPMICT-ZBFHGGJFSA-N 2 2 325.460 3.177 20 0 EGADLP Cc1ncc([C@@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075087 461710638 /nfs/dbraw/zinc/71/06/38/461710638.db2.gz DHXQCYSNFPMICT-ZBFHGGJFSA-N 2 2 325.460 3.177 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000653557163 461721279 /nfs/dbraw/zinc/72/12/79/461721279.db2.gz FQTBVXNAHMLESQ-UHFFFAOYSA-N 2 2 329.288 3.169 20 0 EGADLP CC(=O)c1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)on1 ZINC000653569946 461728049 /nfs/dbraw/zinc/72/80/49/461728049.db2.gz TXKZLQZYOUGFMH-HNNXBMFYSA-N 2 2 333.476 3.354 20 0 EGADLP CC(=O)c1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)on1 ZINC000653569946 461728054 /nfs/dbraw/zinc/72/80/54/461728054.db2.gz TXKZLQZYOUGFMH-HNNXBMFYSA-N 2 2 333.476 3.354 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000639103263 461728505 /nfs/dbraw/zinc/72/85/05/461728505.db2.gz JIEIXYCDSMAPFW-CQSZACIVSA-N 2 2 326.868 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000639103263 461728515 /nfs/dbraw/zinc/72/85/15/461728515.db2.gz JIEIXYCDSMAPFW-CQSZACIVSA-N 2 2 326.868 3.273 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498473 461736920 /nfs/dbraw/zinc/73/69/20/461736920.db2.gz IESMQLXETJOJDN-HIFRSBDPSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498473 461736922 /nfs/dbraw/zinc/73/69/22/461736922.db2.gz IESMQLXETJOJDN-HIFRSBDPSA-N 2 2 326.868 3.307 20 0 EGADLP COc1nc(C)cc(C)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000643472478 461741136 /nfs/dbraw/zinc/74/11/36/461741136.db2.gz FHVAWKXNIDGDPW-HKUYNNGSSA-N 2 2 325.456 3.290 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501759 461746233 /nfs/dbraw/zinc/74/62/33/461746233.db2.gz PIKKSPRMSMDSAR-XHDPSFHLSA-N 2 2 327.241 3.307 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653592321 461746788 /nfs/dbraw/zinc/74/67/88/461746788.db2.gz UPKSGSAGNZCCNR-RYUDHWBXSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653592321 461746798 /nfs/dbraw/zinc/74/67/98/461746798.db2.gz UPKSGSAGNZCCNR-RYUDHWBXSA-N 2 2 329.429 3.082 20 0 EGADLP Brc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643497072 461747276 /nfs/dbraw/zinc/74/72/76/461747276.db2.gz UDNXWNMXQYNPCE-OAGGEKHMSA-N 2 2 339.277 3.011 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(F)cc(Br)c1 ZINC000643537486 461757614 /nfs/dbraw/zinc/75/76/14/461757614.db2.gz JXYGUGQSSZFYRH-MELADBBJSA-N 2 2 333.220 3.329 20 0 EGADLP Cc1cc(N2CCC(Nc3[nH+]ccc4c(N)cccc43)CC2)nc(C)[nH+]1 ZINC000663695343 461759976 /nfs/dbraw/zinc/75/99/76/461759976.db2.gz LRJKJAUHPUINON-UHFFFAOYSA-N 2 2 348.454 3.305 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000639176368 461783441 /nfs/dbraw/zinc/78/34/41/461783441.db2.gz WAEUDBIQDFTMSB-SFHVURJKSA-N 2 2 327.476 3.260 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000639179712 461785181 /nfs/dbraw/zinc/78/51/81/461785181.db2.gz UPSFPMCDNPLIGJ-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000639179712 461785188 /nfs/dbraw/zinc/78/51/88/461785188.db2.gz UPSFPMCDNPLIGJ-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000639179712 461785195 /nfs/dbraw/zinc/78/51/95/461785195.db2.gz UPSFPMCDNPLIGJ-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000639179712 461785199 /nfs/dbraw/zinc/78/51/99/461785199.db2.gz UPSFPMCDNPLIGJ-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000639178493 461785641 /nfs/dbraw/zinc/78/56/41/461785641.db2.gz KEIKGBVMBKVWCZ-HXUWFJFHSA-N 2 2 338.499 3.468 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770367 461795236 /nfs/dbraw/zinc/79/52/36/461795236.db2.gz WIPASTAPSJSTGU-INIZCTEOSA-N 2 2 332.879 3.374 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476167 461801325 /nfs/dbraw/zinc/80/13/25/461801325.db2.gz XIVHCOKTGFCZBX-DYESRHJHSA-N 2 2 328.500 3.423 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476167 461801329 /nfs/dbraw/zinc/80/13/29/461801329.db2.gz XIVHCOKTGFCZBX-DYESRHJHSA-N 2 2 328.500 3.423 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208203 461804476 /nfs/dbraw/zinc/80/44/76/461804476.db2.gz QMCPWXAISRCUGW-LJQANCHMSA-N 2 2 331.410 3.431 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208203 461804483 /nfs/dbraw/zinc/80/44/83/461804483.db2.gz QMCPWXAISRCUGW-LJQANCHMSA-N 2 2 331.410 3.431 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208203 461804488 /nfs/dbraw/zinc/80/44/88/461804488.db2.gz QMCPWXAISRCUGW-LJQANCHMSA-N 2 2 331.410 3.431 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)C1 ZINC000639208203 461804493 /nfs/dbraw/zinc/80/44/93/461804493.db2.gz QMCPWXAISRCUGW-LJQANCHMSA-N 2 2 331.410 3.431 20 0 EGADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000643960441 461844795 /nfs/dbraw/zinc/84/47/95/461844795.db2.gz WJWPTTMYBXIVPZ-BMFZPTHFSA-N 2 2 329.271 3.071 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000639316919 461856499 /nfs/dbraw/zinc/85/64/99/461856499.db2.gz NJLSEBWAWRWXEO-PMACEKPBSA-N 2 2 338.499 3.120 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000639316919 461856507 /nfs/dbraw/zinc/85/65/07/461856507.db2.gz NJLSEBWAWRWXEO-PMACEKPBSA-N 2 2 338.499 3.120 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000653811476 461874210 /nfs/dbraw/zinc/87/42/10/461874210.db2.gz LGRMEAOVJBANJX-NRFANRHFSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000653811476 461874217 /nfs/dbraw/zinc/87/42/17/461874217.db2.gz LGRMEAOVJBANJX-NRFANRHFSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000653811477 461874573 /nfs/dbraw/zinc/87/45/73/461874573.db2.gz LGRMEAOVJBANJX-OAQYLSRUSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000653811477 461874579 /nfs/dbraw/zinc/87/45/79/461874579.db2.gz LGRMEAOVJBANJX-OAQYLSRUSA-N 2 2 344.499 3.052 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000639354397 461877774 /nfs/dbraw/zinc/87/77/74/461877774.db2.gz IUSFPYYRYBYIED-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OCc1ccccc1 ZINC000666945342 461882487 /nfs/dbraw/zinc/88/24/87/461882487.db2.gz LALKIFWJTKNKAM-ROUUACIJSA-N 2 2 344.430 3.064 20 0 EGADLP CCN(C(=O)C[NH+]1CCC(C)([NH3+])CC1)c1cccc2ccccc21 ZINC000647927876 461891278 /nfs/dbraw/zinc/89/12/78/461891278.db2.gz SRAHFGOLWMELLL-UHFFFAOYSA-N 2 2 325.456 3.006 20 0 EGADLP C[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC(C)(C)[NH3+] ZINC000656784257 461893356 /nfs/dbraw/zinc/89/33/56/461893356.db2.gz CKGTZELYFOKSJS-UHFFFAOYSA-N 2 2 326.366 3.265 20 0 EGADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)CC(C)(C)[NH3+] ZINC000656784257 461893361 /nfs/dbraw/zinc/89/33/61/461893361.db2.gz CKGTZELYFOKSJS-UHFFFAOYSA-N 2 2 326.366 3.265 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]C2(Cc3cccc(F)c3)CCOCC2)C1 ZINC000660640696 461895249 /nfs/dbraw/zinc/89/52/49/461895249.db2.gz SDJFLUWIQIWHPX-ROUUACIJSA-N 2 2 348.506 3.485 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@@H]1[NH3+] ZINC000647938994 461895380 /nfs/dbraw/zinc/89/53/80/461895380.db2.gz YRIGUDMCHUCDPR-PBHICJAKSA-N 2 2 328.460 3.419 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@@H]1[NH3+] ZINC000647938994 461895386 /nfs/dbraw/zinc/89/53/86/461895386.db2.gz YRIGUDMCHUCDPR-PBHICJAKSA-N 2 2 328.460 3.419 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993744 461902531 /nfs/dbraw/zinc/90/25/31/461902531.db2.gz GZQXCLMFPBBRSD-SNVBAGLBSA-N 2 2 345.231 3.492 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654901 461904537 /nfs/dbraw/zinc/90/45/37/461904537.db2.gz CUYBBQMFTALFLN-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654901 461904541 /nfs/dbraw/zinc/90/45/41/461904541.db2.gz CUYBBQMFTALFLN-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654901 461904547 /nfs/dbraw/zinc/90/45/47/461904547.db2.gz CUYBBQMFTALFLN-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654901 461904553 /nfs/dbraw/zinc/90/45/53/461904553.db2.gz CUYBBQMFTALFLN-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710899 461904892 /nfs/dbraw/zinc/90/48/92/461904892.db2.gz CGFBOCDQBYMHLT-OCCSQVGLSA-N 2 2 335.521 3.172 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710899 461904896 /nfs/dbraw/zinc/90/48/96/461904896.db2.gz CGFBOCDQBYMHLT-OCCSQVGLSA-N 2 2 335.521 3.172 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656978 461908294 /nfs/dbraw/zinc/90/82/94/461908294.db2.gz YZWXAPSSAWOVHU-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656978 461908297 /nfs/dbraw/zinc/90/82/97/461908297.db2.gz YZWXAPSSAWOVHU-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656978 461908301 /nfs/dbraw/zinc/90/83/01/461908301.db2.gz YZWXAPSSAWOVHU-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656978 461908303 /nfs/dbraw/zinc/90/83/03/461908303.db2.gz YZWXAPSSAWOVHU-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657611 461909928 /nfs/dbraw/zinc/90/99/28/461909928.db2.gz YLYHQTYYENRRGA-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657611 461909935 /nfs/dbraw/zinc/90/99/35/461909935.db2.gz YLYHQTYYENRRGA-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657611 461909939 /nfs/dbraw/zinc/90/99/39/461909939.db2.gz YLYHQTYYENRRGA-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657611 461909944 /nfs/dbraw/zinc/90/99/44/461909944.db2.gz YLYHQTYYENRRGA-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663397 461912413 /nfs/dbraw/zinc/91/24/13/461912413.db2.gz NSZGXNAICCDDGZ-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663397 461912419 /nfs/dbraw/zinc/91/24/19/461912419.db2.gz NSZGXNAICCDDGZ-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663397 461912424 /nfs/dbraw/zinc/91/24/24/461912424.db2.gz NSZGXNAICCDDGZ-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663397 461912430 /nfs/dbraw/zinc/91/24/30/461912430.db2.gz NSZGXNAICCDDGZ-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968237 461912715 /nfs/dbraw/zinc/91/27/15/461912715.db2.gz WOUICEDXNCCAQF-PXNSSMCTSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968237 461912719 /nfs/dbraw/zinc/91/27/19/461912719.db2.gz WOUICEDXNCCAQF-PXNSSMCTSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968237 461912726 /nfs/dbraw/zinc/91/27/26/461912726.db2.gz WOUICEDXNCCAQF-PXNSSMCTSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968237 461912731 /nfs/dbraw/zinc/91/27/31/461912731.db2.gz WOUICEDXNCCAQF-PXNSSMCTSA-N 2 2 329.488 3.396 20 0 EGADLP Fc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000647990400 461926648 /nfs/dbraw/zinc/92/66/48/461926648.db2.gz XLBWGOGVLCASTF-IAQYHMDHSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc([C@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000647990400 461926652 /nfs/dbraw/zinc/92/66/52/461926652.db2.gz XLBWGOGVLCASTF-IAQYHMDHSA-N 2 2 327.241 3.335 20 0 EGADLP CC(C)(C)c1nc(NCC2CC[NH+](C3CCOCC3)CC2)cc[nH+]1 ZINC000664150449 461959901 /nfs/dbraw/zinc/95/99/01/461959901.db2.gz COHDANQSRUUTJS-UHFFFAOYSA-N 2 2 332.492 3.077 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546761 461979873 /nfs/dbraw/zinc/97/98/73/461979873.db2.gz SELWVYBNCXZVHO-RBUKOAKNSA-N 2 2 327.472 3.005 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546761 461979880 /nfs/dbraw/zinc/97/98/80/461979880.db2.gz SELWVYBNCXZVHO-RBUKOAKNSA-N 2 2 327.472 3.005 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@@H](C)O1 ZINC000657295777 462025158 /nfs/dbraw/zinc/02/51/58/462025158.db2.gz YJOFWXDSSSCUNJ-CHWSQXEVSA-N 2 2 346.393 3.016 20 0 EGADLP FC(F)(F)COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657297783 462026499 /nfs/dbraw/zinc/02/64/99/462026499.db2.gz KRQUEILHWYEVOE-UHFFFAOYSA-N 2 2 325.334 3.060 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3[nH]c(C)c(C)[nH+]3)C2)s1 ZINC000639633524 462031300 /nfs/dbraw/zinc/03/13/00/462031300.db2.gz ZFTHRSJZTPAHPR-INIZCTEOSA-N 2 2 332.517 3.350 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3[nH]c(C)c(C)[nH+]3)C2)s1 ZINC000639633524 462031308 /nfs/dbraw/zinc/03/13/08/462031308.db2.gz ZFTHRSJZTPAHPR-INIZCTEOSA-N 2 2 332.517 3.350 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)C1 ZINC000657310903 462033938 /nfs/dbraw/zinc/03/39/38/462033938.db2.gz RMSJYYHDGRDTGB-KRWDZBQOSA-N 3 2 338.499 3.351 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)C1 ZINC000657310903 462033947 /nfs/dbraw/zinc/03/39/47/462033947.db2.gz RMSJYYHDGRDTGB-KRWDZBQOSA-N 3 2 338.499 3.351 20 0 EGADLP FC(F)(F)COc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657311040 462037211 /nfs/dbraw/zinc/03/72/11/462037211.db2.gz GRADDULZVQACAV-UHFFFAOYSA-N 2 2 325.334 3.060 20 0 EGADLP CCOc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccc1OC(F)F ZINC000657314751 462039444 /nfs/dbraw/zinc/03/94/44/462039444.db2.gz DALQJKZPXJBLTQ-UHFFFAOYSA-N 2 2 337.370 3.119 20 0 EGADLP COc1ccccc1C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657324913 462046346 /nfs/dbraw/zinc/04/63/46/462046346.db2.gz HRRSBTKETVWBQK-UHFFFAOYSA-N 2 2 325.456 3.440 20 0 EGADLP CCO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639682669 462055951 /nfs/dbraw/zinc/05/59/51/462055951.db2.gz IIKNVVOUSVJBSE-OAHLLOKOSA-N 2 2 346.500 3.348 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000648400868 462101095 /nfs/dbraw/zinc/10/10/95/462101095.db2.gz FTZHVAKXNIBAGY-NSHGMRRFSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1[nH]c(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)[nH+]c1C ZINC000657405977 462102085 /nfs/dbraw/zinc/10/20/85/462102085.db2.gz YVWGAZFZIFDUQA-KBPBESRZSA-N 2 2 328.460 3.248 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)n1C ZINC000657484444 462151023 /nfs/dbraw/zinc/15/10/23/462151023.db2.gz YXWPJHJYQFEAAA-CQSZACIVSA-N 2 2 338.224 3.407 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657495465 462156726 /nfs/dbraw/zinc/15/67/26/462156726.db2.gz IPWDZYLUUJNHDZ-CYBMUJFWSA-N 2 2 326.419 3.181 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000645036829 462166159 /nfs/dbraw/zinc/16/61/59/462166159.db2.gz XRWHJGWKPQWIFN-MRXNPFEDSA-N 2 2 325.456 3.474 20 0 EGADLP CCCn1nccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599308 462166729 /nfs/dbraw/zinc/16/67/29/462166729.db2.gz RLEWDZDKPRJOSU-UHFFFAOYSA-N 2 2 326.488 3.390 20 0 EGADLP CCCn1nccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599308 462166732 /nfs/dbraw/zinc/16/67/32/462166732.db2.gz RLEWDZDKPRJOSU-UHFFFAOYSA-N 2 2 326.488 3.390 20 0 EGADLP CCCn1nccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620731 462177585 /nfs/dbraw/zinc/17/75/85/462177585.db2.gz MRDGADDCJCBEHY-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCCn1nccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620731 462177594 /nfs/dbraw/zinc/17/75/94/462177594.db2.gz MRDGADDCJCBEHY-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCCn1nccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620731 462177601 /nfs/dbraw/zinc/17/76/01/462177601.db2.gz MRDGADDCJCBEHY-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCCn1nccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620731 462177607 /nfs/dbraw/zinc/17/76/07/462177607.db2.gz MRDGADDCJCBEHY-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000639987351 462207201 /nfs/dbraw/zinc/20/72/01/462207201.db2.gz BNUBOTWPUNCMIC-GOSISDBHSA-N 2 2 343.515 3.032 20 0 EGADLP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1F ZINC000667675788 462207308 /nfs/dbraw/zinc/20/73/08/462207308.db2.gz WMNSHLBRIDPRQS-UHFFFAOYSA-N 2 2 342.405 3.181 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640099035 462257161 /nfs/dbraw/zinc/25/71/61/462257161.db2.gz HCOZTVKOMMTARY-ZCNNSNEGSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640099035 462257165 /nfs/dbraw/zinc/25/71/65/462257165.db2.gz HCOZTVKOMMTARY-ZCNNSNEGSA-N 2 2 325.456 3.306 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000654530537 462270406 /nfs/dbraw/zinc/27/04/06/462270406.db2.gz OXXFZFBDNMNTLE-HOTGVXAUSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000654530537 462270412 /nfs/dbraw/zinc/27/04/12/462270412.db2.gz OXXFZFBDNMNTLE-HOTGVXAUSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000654530537 462270419 /nfs/dbraw/zinc/27/04/19/462270419.db2.gz OXXFZFBDNMNTLE-HOTGVXAUSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000654530537 462270423 /nfs/dbraw/zinc/27/04/23/462270423.db2.gz OXXFZFBDNMNTLE-HOTGVXAUSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657876050 462304471 /nfs/dbraw/zinc/30/44/71/462304471.db2.gz TZYVQARWHGPLPB-ABSDTBQOSA-N 2 2 342.483 3.400 20 0 EGADLP c1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000667937364 462335045 /nfs/dbraw/zinc/33/50/45/462335045.db2.gz GOPSBFIDYWRMAG-HYVNUMGLSA-N 2 2 340.471 3.038 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485457 462344403 /nfs/dbraw/zinc/34/44/03/462344403.db2.gz FOVHKJWIRQKHBT-MAUKXSAKSA-N 2 2 325.456 3.491 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485457 462344408 /nfs/dbraw/zinc/34/44/08/462344408.db2.gz FOVHKJWIRQKHBT-MAUKXSAKSA-N 2 2 325.456 3.491 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000651810704 462344905 /nfs/dbraw/zinc/34/49/05/462344905.db2.gz AWIWZHRGLAJJTD-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000651810704 462344913 /nfs/dbraw/zinc/34/49/13/462344913.db2.gz AWIWZHRGLAJJTD-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000651810704 462344919 /nfs/dbraw/zinc/34/49/19/462344919.db2.gz AWIWZHRGLAJJTD-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000651810704 462344928 /nfs/dbraw/zinc/34/49/28/462344928.db2.gz AWIWZHRGLAJJTD-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C4CCC4)C3)c2cc1C ZINC000665286640 462386447 /nfs/dbraw/zinc/38/64/47/462386447.db2.gz QTTGEIZEBPWBPM-QZTJIDSGSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C4CCC4)C3)c2cc1C ZINC000665286640 462386454 /nfs/dbraw/zinc/38/64/54/462386454.db2.gz QTTGEIZEBPWBPM-QZTJIDSGSA-N 2 2 327.472 3.136 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000665295669 462390493 /nfs/dbraw/zinc/39/04/93/462390493.db2.gz HLWVQQLWONLOER-PKFCDNJMSA-N 2 2 329.307 3.430 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CCO)c1ccccc1Br ZINC000645852369 462445348 /nfs/dbraw/zinc/44/53/48/462445348.db2.gz QCWNSSHYWGXPJA-QGZVFWFLSA-N 2 2 349.272 3.408 20 0 EGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293488 462460010 /nfs/dbraw/zinc/46/00/10/462460010.db2.gz ATAHWNJKUTZYEZ-JTSKRJEESA-N 2 2 342.527 3.339 20 0 EGADLP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293340 462460595 /nfs/dbraw/zinc/46/05/95/462460595.db2.gz FUGIQNOWFZIIRK-NHCUHLMSSA-N 2 2 328.500 3.159 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccn2)cc1 ZINC000652205221 462472015 /nfs/dbraw/zinc/47/20/15/462472015.db2.gz QQNMAUJCUODXFA-GKTUAVMOSA-N 2 2 337.467 3.394 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccn2)cc1 ZINC000652205221 462472018 /nfs/dbraw/zinc/47/20/18/462472018.db2.gz QQNMAUJCUODXFA-GKTUAVMOSA-N 2 2 337.467 3.394 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646102575 462518189 /nfs/dbraw/zinc/51/81/89/462518189.db2.gz LGPFGNPJHKCNKI-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646102575 462518190 /nfs/dbraw/zinc/51/81/90/462518190.db2.gz LGPFGNPJHKCNKI-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103396 462518664 /nfs/dbraw/zinc/51/86/64/462518664.db2.gz QNROLGBACKIUIH-UHFFFAOYSA-N 2 2 347.484 3.008 20 0 EGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103396 462518667 /nfs/dbraw/zinc/51/86/67/462518667.db2.gz QNROLGBACKIUIH-UHFFFAOYSA-N 2 2 347.484 3.008 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ncc(-c3ccccc3)s1)CCO2 ZINC000646105875 462518760 /nfs/dbraw/zinc/51/87/60/462518760.db2.gz KKEOQCZVPZRRRF-UHFFFAOYSA-N 2 2 343.496 3.107 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ncc(-c3ccccc3)s1)CCO2 ZINC000646105875 462518761 /nfs/dbraw/zinc/51/87/61/462518761.db2.gz KKEOQCZVPZRRRF-UHFFFAOYSA-N 2 2 343.496 3.107 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462756 478393506 /nfs/dbraw/zinc/39/35/06/478393506.db2.gz DSMMIBPGCDIAAQ-SJLPKXTDSA-N 2 2 340.471 3.301 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462756 478393512 /nfs/dbraw/zinc/39/35/12/478393512.db2.gz DSMMIBPGCDIAAQ-SJLPKXTDSA-N 2 2 340.471 3.301 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)ccn1 ZINC000131695955 533871737 /nfs/dbraw/zinc/87/17/37/533871737.db2.gz GMZXGVXXNDFUSS-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CC(C)c1nc(NCc2ccccc2C[NH+]2CCC(O)CC2)cc[nH+]1 ZINC000172782790 534910887 /nfs/dbraw/zinc/91/08/87/534910887.db2.gz XZQQEWRZVYRFIS-UHFFFAOYSA-N 2 2 340.471 3.169 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181110731 528353976 /nfs/dbraw/zinc/35/39/76/528353976.db2.gz NCCXQMAUGARLRT-LJQANCHMSA-N 2 2 342.487 3.109 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181110731 528353980 /nfs/dbraw/zinc/35/39/80/528353980.db2.gz NCCXQMAUGARLRT-LJQANCHMSA-N 2 2 342.487 3.109 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000191498914 528865031 /nfs/dbraw/zinc/86/50/31/528865031.db2.gz PPAQPOSHGSKAPA-UHFFFAOYSA-N 2 2 345.472 3.469 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000191498914 528865037 /nfs/dbraw/zinc/86/50/37/528865037.db2.gz PPAQPOSHGSKAPA-UHFFFAOYSA-N 2 2 345.472 3.469 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351476524 535095241 /nfs/dbraw/zinc/09/52/41/535095241.db2.gz KZCBGOPXZCOYRJ-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351476524 535095247 /nfs/dbraw/zinc/09/52/47/535095247.db2.gz KZCBGOPXZCOYRJ-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351476524 535095251 /nfs/dbraw/zinc/09/52/51/535095251.db2.gz KZCBGOPXZCOYRJ-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351476524 535095256 /nfs/dbraw/zinc/09/52/56/535095256.db2.gz KZCBGOPXZCOYRJ-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000361625038 535152368 /nfs/dbraw/zinc/15/23/68/535152368.db2.gz CAWIPCXARXTCKC-UHFFFAOYSA-N 2 2 349.438 3.456 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165387327 535441886 /nfs/dbraw/zinc/44/18/86/535441886.db2.gz KRALUYSXENHSKR-MRXNPFEDSA-N 2 2 349.494 3.027 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1)CC1CC1 ZINC000357024707 535714073 /nfs/dbraw/zinc/71/40/73/535714073.db2.gz YMODAKNKUIMETL-UHFFFAOYSA-N 2 2 344.503 3.178 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1)CC1CC1 ZINC000357024707 535714080 /nfs/dbraw/zinc/71/40/80/535714080.db2.gz YMODAKNKUIMETL-UHFFFAOYSA-N 2 2 344.503 3.178 20 0 EGADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H]1C ZINC000337858244 535777649 /nfs/dbraw/zinc/77/76/49/535777649.db2.gz ZOBCZHQKSHLLAB-JKSUJKDBSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H]1C ZINC000337858244 535777651 /nfs/dbraw/zinc/77/76/51/535777651.db2.gz ZOBCZHQKSHLLAB-JKSUJKDBSA-N 2 2 339.439 3.429 20 0 EGADLP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c4ccsc43)cn2)CC1 ZINC000266161830 536421675 /nfs/dbraw/zinc/42/16/75/536421675.db2.gz NWINWYOCQCETQI-UHFFFAOYSA-N 2 2 339.468 3.055 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)n1-c1ccccc1 ZINC000084051355 546617297 /nfs/dbraw/zinc/61/72/97/546617297.db2.gz KPOBCWMZUZLOEF-DEOSSOPVSA-N 2 2 339.464 3.208 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184981 546654289 /nfs/dbraw/zinc/65/42/89/546654289.db2.gz SEKHAQZVARCMHW-FXAWDEMLSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184981 546654291 /nfs/dbraw/zinc/65/42/91/546654291.db2.gz SEKHAQZVARCMHW-FXAWDEMLSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000090403715 546655406 /nfs/dbraw/zinc/65/54/06/546655406.db2.gz KIQNULYFOONQPM-OAHLLOKOSA-N 2 2 344.528 3.050 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000125041372 546749794 /nfs/dbraw/zinc/74/97/94/546749794.db2.gz SFCXUPMKJFEPSB-RXVVDRJESA-N 3 2 329.532 3.452 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125248781 546750925 /nfs/dbraw/zinc/75/09/25/546750925.db2.gz FDUUMYTUWVPCRN-ZDUSSCGKSA-N 2 2 341.440 3.076 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126766209 546762227 /nfs/dbraw/zinc/76/22/27/546762227.db2.gz IBXNCHFEANJJGI-KRWDZBQOSA-N 3 2 335.561 3.424 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126766209 546762233 /nfs/dbraw/zinc/76/22/33/546762233.db2.gz IBXNCHFEANJJGI-KRWDZBQOSA-N 3 2 335.561 3.424 20 0 EGADLP Cc1ccc(-c2cnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000151209300 546852961 /nfs/dbraw/zinc/85/29/61/546852961.db2.gz LAUXDOVRPUVYJZ-UHFFFAOYSA-N 2 2 334.423 3.367 20 0 EGADLP Cc1ccc(-c2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)co2)cc1 ZINC000151340075 546854084 /nfs/dbraw/zinc/85/40/84/546854084.db2.gz AAVBFQWIOIVOEK-UHFFFAOYSA-N 2 2 334.423 3.367 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000161636861 546957790 /nfs/dbraw/zinc/95/77/90/546957790.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000161636861 546957797 /nfs/dbraw/zinc/95/77/97/546957797.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000161636861 546957800 /nfs/dbraw/zinc/95/78/00/546957800.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000161636861 546957806 /nfs/dbraw/zinc/95/78/06/546957806.db2.gz SVXRVTPEXGSAGL-CWJKEVGVSA-N 3 2 327.516 3.256 20 0 EGADLP CCC(CC)(CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000193257451 547211695 /nfs/dbraw/zinc/21/16/95/547211695.db2.gz NTBARTMJXKRJCQ-MRXNPFEDSA-N 2 2 342.487 3.368 20 0 EGADLP CCC(CC)(CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000193257451 547211698 /nfs/dbraw/zinc/21/16/98/547211698.db2.gz NTBARTMJXKRJCQ-MRXNPFEDSA-N 2 2 342.487 3.368 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000279655748 547367378 /nfs/dbraw/zinc/36/73/78/547367378.db2.gz LFJHRAKYMRAQOB-UHFFFAOYSA-N 2 2 326.444 3.357 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000279655748 547367383 /nfs/dbraw/zinc/36/73/83/547367383.db2.gz LFJHRAKYMRAQOB-UHFFFAOYSA-N 2 2 326.444 3.357 20 0 EGADLP CC[NH+]1CCN(Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)CC1 ZINC000301871049 547444816 /nfs/dbraw/zinc/44/48/16/547444816.db2.gz ISZDLVSSPZMSPK-UHFFFAOYSA-N 2 2 349.482 3.313 20 0 EGADLP CCN1CC[NH+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)CC1 ZINC000301871049 547444821 /nfs/dbraw/zinc/44/48/21/547444821.db2.gz ISZDLVSSPZMSPK-UHFFFAOYSA-N 2 2 349.482 3.313 20 0 EGADLP O[C@]1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361889844 547766615 /nfs/dbraw/zinc/76/66/15/547766615.db2.gz BXMKXLVPLGKIGJ-RTWAWAEBSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@]1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361889844 547766622 /nfs/dbraw/zinc/76/66/22/547766622.db2.gz BXMKXLVPLGKIGJ-RTWAWAEBSA-N 2 2 340.442 3.040 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2cnn(C)c2)c1 ZINC000670263517 548193073 /nfs/dbraw/zinc/19/30/73/548193073.db2.gz UXCAUBVZSIXRDX-IBGZPJMESA-N 2 2 335.455 3.429 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2cnn(C)c2)c1 ZINC000670263517 548193076 /nfs/dbraw/zinc/19/30/76/548193076.db2.gz UXCAUBVZSIXRDX-IBGZPJMESA-N 2 2 335.455 3.429 20 0 EGADLP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987667 548244710 /nfs/dbraw/zinc/24/47/10/548244710.db2.gz ZSUVKZDHFMNLAM-HOTGVXAUSA-N 2 2 329.444 3.076 20 0 EGADLP C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987667 548244713 /nfs/dbraw/zinc/24/47/13/548244713.db2.gz ZSUVKZDHFMNLAM-HOTGVXAUSA-N 2 2 329.444 3.076 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671242671 548266079 /nfs/dbraw/zinc/26/60/79/548266079.db2.gz DBBNQJMQUDMGKO-HNAYVOBHSA-N 2 2 343.471 3.233 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671242671 548266084 /nfs/dbraw/zinc/26/60/84/548266084.db2.gz DBBNQJMQUDMGKO-HNAYVOBHSA-N 2 2 343.471 3.233 20 0 EGADLP CCCOc1ccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676477327 549094501 /nfs/dbraw/zinc/09/45/01/549094501.db2.gz HLQGRDKTXSVTIJ-KRWDZBQOSA-N 2 2 329.444 3.388 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676477327 549094506 /nfs/dbraw/zinc/09/45/06/549094506.db2.gz HLQGRDKTXSVTIJ-KRWDZBQOSA-N 2 2 329.444 3.388 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000676643434 549121683 /nfs/dbraw/zinc/12/16/83/549121683.db2.gz JYPWYAGNIGEVDI-INIZCTEOSA-N 2 2 349.482 3.284 20 0 EGADLP COc1ccc(C[C@@](C)([NH3+])CNc2cc[nH+]c(C(C)(C)C)n2)cc1 ZINC000677232094 549233970 /nfs/dbraw/zinc/23/39/70/549233970.db2.gz REBJPOPTMLSGGB-LJQANCHMSA-N 2 2 328.460 3.155 20 0 EGADLP Cc1occc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000678359349 549476005 /nfs/dbraw/zinc/47/60/05/549476005.db2.gz JIGOSMFUQOZWPM-UHFFFAOYSA-N 2 2 333.863 3.283 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3ccsc3)c2cc1C ZINC000678586267 549523886 /nfs/dbraw/zinc/52/38/86/549523886.db2.gz DBYGCXYLZPDGST-GOEBONIOSA-N 2 2 329.469 3.426 20 0 EGADLP Cc1csc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000678927920 549597479 /nfs/dbraw/zinc/59/74/79/549597479.db2.gz VILRGMGNCGYFKO-INIZCTEOSA-N 2 2 337.533 3.385 20 0 EGADLP c1oc(-c2ccccc2)nc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678930097 549598375 /nfs/dbraw/zinc/59/83/75/549598375.db2.gz QELRGCJOFSDHPH-LJQANCHMSA-N 2 2 341.455 3.075 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000679730255 549769810 /nfs/dbraw/zinc/76/98/10/549769810.db2.gz RYBPDHBKHCYJJF-OAHLLOKOSA-N 2 2 337.458 3.398 20 0 EGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000680834966 549915739 /nfs/dbraw/zinc/91/57/39/549915739.db2.gz UYHXQKSUVLVZCD-FCHUYYIVSA-N 2 2 338.495 3.010 20 0 EGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000680834966 549915740 /nfs/dbraw/zinc/91/57/40/549915740.db2.gz UYHXQKSUVLVZCD-FCHUYYIVSA-N 2 2 338.495 3.010 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000681698863 550027984 /nfs/dbraw/zinc/02/79/84/550027984.db2.gz LAGSAZXHJNTBCN-ZBFHGGJFSA-N 2 2 329.444 3.174 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000683726262 550254995 /nfs/dbraw/zinc/25/49/95/550254995.db2.gz APNXJRDGDXPNMC-UHFFFAOYSA-N 2 2 329.469 3.379 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2[nH+]1 ZINC000683902587 550272541 /nfs/dbraw/zinc/27/25/41/550272541.db2.gz RYPXTEVQTXLGAW-UHFFFAOYSA-N 2 2 326.444 3.472 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000684821149 550373607 /nfs/dbraw/zinc/37/36/07/550373607.db2.gz OEFDLXWACNLUHZ-UHFFFAOYSA-N 2 2 334.423 3.185 20 0 EGADLP c1cnc2c(c1)CCC[C@H]2[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000684956881 550388469 /nfs/dbraw/zinc/38/84/69/550388469.db2.gz CLZQIIFZGRWOCY-LJQANCHMSA-N 2 2 343.515 3.331 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)CCC[NH+](C)C ZINC000685452081 550417797 /nfs/dbraw/zinc/41/77/97/550417797.db2.gz WYFWWTROGHGBFM-UHFFFAOYSA-N 2 2 336.430 3.151 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)CCC[NH+](C)C ZINC000685452081 550417798 /nfs/dbraw/zinc/41/77/98/550417798.db2.gz WYFWWTROGHGBFM-UHFFFAOYSA-N 2 2 336.430 3.151 20 0 EGADLP C[NH+](C)CCN(CCCc1ccccc1)Cc1c[nH+]c2ccccn12 ZINC000685455335 550418189 /nfs/dbraw/zinc/41/81/89/550418189.db2.gz HIGZAAGIDDCXNC-UHFFFAOYSA-N 2 2 336.483 3.331 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000731032801 575047696 /nfs/dbraw/zinc/04/76/96/575047696.db2.gz PEEWIPXLKUSJHS-RBUKOAKNSA-N 2 2 342.483 3.042 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000731032801 575047698 /nfs/dbraw/zinc/04/76/98/575047698.db2.gz PEEWIPXLKUSJHS-RBUKOAKNSA-N 2 2 342.483 3.042 20 0 EGADLP CC(C)c1nn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=S)n1C ZINC000738088734 576287037 /nfs/dbraw/zinc/28/70/37/576287037.db2.gz HKRFQUUNRUQMTJ-UHFFFAOYSA-N 2 2 339.553 3.084 20 0 EGADLP CC(C)c1nn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=S)n1C ZINC000738088734 576287038 /nfs/dbraw/zinc/28/70/38/576287038.db2.gz HKRFQUUNRUQMTJ-UHFFFAOYSA-N 2 2 339.553 3.084 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000741969662 576738861 /nfs/dbraw/zinc/73/88/61/576738861.db2.gz HOCLXGHMFPJVCL-UHFFFAOYSA-N 2 2 334.423 3.185 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742374673 576775382 /nfs/dbraw/zinc/77/53/82/576775382.db2.gz BVVMILQKNDCOMN-DZGCQCFKSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742374673 576775385 /nfs/dbraw/zinc/77/53/85/576775385.db2.gz BVVMILQKNDCOMN-DZGCQCFKSA-N 2 2 332.879 3.406 20 0 EGADLP COc1cc2c(cc1C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)O[C@H](C)C2 ZINC000042208787 1291435088 /nfs/dbraw/zinc/43/50/88/1291435088.db2.gz NEZPNLNTTDIYKT-OAHLLOKOSA-N 2 2 349.434 3.494 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1C ZINC000066995498 1292138781 /nfs/dbraw/zinc/13/87/81/1292138781.db2.gz DETLRDPHDYDVEB-UHFFFAOYSA-N 2 2 327.407 3.134 20 0 EGADLP O=C1O[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)CN1C1CCCCC1 ZINC000827793104 1292374259 /nfs/dbraw/zinc/37/42/59/1292374259.db2.gz SVCQDKLQOLESOF-IBGZPJMESA-N 2 2 349.519 3.090 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000827934755 1292406531 /nfs/dbraw/zinc/40/65/31/1292406531.db2.gz IQSHEJGDIUJVFP-HNNXBMFYSA-N 2 2 334.423 3.082 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000079000380 1292539160 /nfs/dbraw/zinc/53/91/60/1292539160.db2.gz FCVUQOPOLYBOIT-SFHVURJKSA-N 2 2 331.460 3.495 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000829140440 1292547136 /nfs/dbraw/zinc/54/71/36/1292547136.db2.gz QIQXZWMQSIKFEQ-BMFZPTHFSA-N 2 2 342.314 3.466 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000829140440 1292547140 /nfs/dbraw/zinc/54/71/40/1292547140.db2.gz QIQXZWMQSIKFEQ-BMFZPTHFSA-N 2 2 342.314 3.466 20 0 EGADLP C[N@H+](C[C@H](O)c1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480851 1293166800 /nfs/dbraw/zinc/16/68/00/1293166800.db2.gz ZXHUOLPWZMMSQU-NRFANRHFSA-N 2 2 342.458 3.456 20 0 EGADLP C[N@@H+](C[C@H](O)c1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480851 1293166802 /nfs/dbraw/zinc/16/68/02/1293166802.db2.gz ZXHUOLPWZMMSQU-NRFANRHFSA-N 2 2 342.458 3.456 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000116332359 1293202891 /nfs/dbraw/zinc/20/28/91/1293202891.db2.gz OPPRBDCNTRZHPB-UHFFFAOYSA-N 2 2 332.879 3.314 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000120755413 1293336163 /nfs/dbraw/zinc/33/61/63/1293336163.db2.gz NLMWUTUMANYKEK-AWEZNQCLSA-N 2 2 326.916 3.094 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120755413 1293336171 /nfs/dbraw/zinc/33/61/71/1293336171.db2.gz NLMWUTUMANYKEK-AWEZNQCLSA-N 2 2 326.916 3.094 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000124993537 1293492138 /nfs/dbraw/zinc/49/21/38/1293492138.db2.gz SFWQOYIRMOSKJE-NJDAHSKKSA-N 2 2 343.515 3.269 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000153440459 1294014014 /nfs/dbraw/zinc/01/40/14/1294014014.db2.gz ROYCAYLAKBZRJM-UHFFFAOYSA-N 2 2 343.446 3.356 20 0 EGADLP C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155129668 1294085553 /nfs/dbraw/zinc/08/55/53/1294085553.db2.gz HJLXGYZARHYFJR-CQSZACIVSA-N 2 2 334.414 3.252 20 0 EGADLP C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171956128 1294424144 /nfs/dbraw/zinc/42/41/44/1294424144.db2.gz SZQMKGRVTBRCBD-OAHLLOKOSA-N 2 2 344.459 3.217 20 0 EGADLP C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171956128 1294424147 /nfs/dbraw/zinc/42/41/47/1294424147.db2.gz SZQMKGRVTBRCBD-OAHLLOKOSA-N 2 2 344.459 3.217 20 0 EGADLP Cc1cc([C@@](C)(O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)o1 ZINC000180167577 1294866725 /nfs/dbraw/zinc/86/67/25/1294866725.db2.gz IMHKXSHHCCXNEI-INIZCTEOSA-N 2 2 348.409 3.110 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000180728406 1294910149 /nfs/dbraw/zinc/91/01/49/1294910149.db2.gz CQHBOWPPIPXTPZ-HOTGVXAUSA-N 2 2 348.491 3.167 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114687 1295368136 /nfs/dbraw/zinc/36/81/36/1295368136.db2.gz NGBGRLYNNLPBEY-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114687 1295368144 /nfs/dbraw/zinc/36/81/44/1295368144.db2.gz NGBGRLYNNLPBEY-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114687 1295368151 /nfs/dbraw/zinc/36/81/51/1295368151.db2.gz NGBGRLYNNLPBEY-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114687 1295368157 /nfs/dbraw/zinc/36/81/57/1295368157.db2.gz NGBGRLYNNLPBEY-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H]2CCC=CO2)CCOCC1)c1ccccc1 ZINC000194459126 1295980041 /nfs/dbraw/zinc/98/00/41/1295980041.db2.gz KZTGYQJNAVDHOA-IEBWSBKVSA-N 2 2 330.472 3.169 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2CCC=CO2)CCOCC1)c1ccccc1 ZINC000194459108 1295980337 /nfs/dbraw/zinc/98/03/37/1295980337.db2.gz KZTGYQJNAVDHOA-PKOBYXMFSA-N 2 2 330.472 3.169 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223976395 1296133635 /nfs/dbraw/zinc/13/36/35/1296133635.db2.gz BGJFGPSROVACPA-HZPDHXFCSA-N 2 2 327.513 3.094 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223976395 1296133636 /nfs/dbraw/zinc/13/36/36/1296133636.db2.gz BGJFGPSROVACPA-HZPDHXFCSA-N 2 2 327.513 3.094 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223976334 1296133760 /nfs/dbraw/zinc/13/37/60/1296133760.db2.gz BGJFGPSROVACPA-JKSUJKDBSA-N 2 2 327.513 3.094 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000223976334 1296133763 /nfs/dbraw/zinc/13/37/63/1296133763.db2.gz BGJFGPSROVACPA-JKSUJKDBSA-N 2 2 327.513 3.094 20 0 EGADLP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000237703195 1296259244 /nfs/dbraw/zinc/25/92/44/1296259244.db2.gz SIBDJXPMLBESOV-HOTGVXAUSA-N 2 2 328.378 3.344 20 0 EGADLP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237703195 1296259260 /nfs/dbraw/zinc/25/92/60/1296259260.db2.gz SIBDJXPMLBESOV-HOTGVXAUSA-N 2 2 328.378 3.344 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538134 1296594532 /nfs/dbraw/zinc/59/45/32/1296594532.db2.gz FLMVYEGTOHRYBY-NJDAHSKKSA-N 3 2 327.516 3.161 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000872063798 1296710068 /nfs/dbraw/zinc/71/00/68/1296710068.db2.gz SPZZKXBGMGBPPQ-WBVHZDCISA-N 2 2 341.455 3.272 20 0 EGADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155944 1296771919 /nfs/dbraw/zinc/77/19/19/1296771919.db2.gz BGPHEYAAYOMQTG-GOEBONIOSA-N 2 2 334.508 3.487 20 0 EGADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155944 1296771935 /nfs/dbraw/zinc/77/19/35/1296771935.db2.gz BGPHEYAAYOMQTG-GOEBONIOSA-N 2 2 334.508 3.487 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514803 1296789868 /nfs/dbraw/zinc/78/98/68/1296789868.db2.gz ODWVFLCHZWWNMF-IRXDYDNUSA-N 2 2 339.524 3.144 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000873060977 1297253879 /nfs/dbraw/zinc/25/38/79/1297253879.db2.gz OIMQFTXRUFFNBE-NWDGAFQWSA-N 2 2 329.257 3.469 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000873060977 1297253886 /nfs/dbraw/zinc/25/38/86/1297253886.db2.gz OIMQFTXRUFFNBE-NWDGAFQWSA-N 2 2 329.257 3.469 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000873206980 1297352117 /nfs/dbraw/zinc/35/21/17/1297352117.db2.gz HHEZEGDONWHAIQ-KDOFPFPSSA-N 2 2 328.481 3.356 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000873206980 1297352125 /nfs/dbraw/zinc/35/21/25/1297352125.db2.gz HHEZEGDONWHAIQ-KDOFPFPSSA-N 2 2 328.481 3.356 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c(C)c[nH+]1 ZINC000873314336 1297428141 /nfs/dbraw/zinc/42/81/41/1297428141.db2.gz NFHTXWITHDDZTK-AEFFLSMTSA-N 2 2 344.503 3.272 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378905450 1297528194 /nfs/dbraw/zinc/52/81/94/1297528194.db2.gz YWUDGZOCFVEHHT-IAGOWNOFSA-N 2 2 328.481 3.368 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378905450 1297528200 /nfs/dbraw/zinc/52/82/00/1297528200.db2.gz YWUDGZOCFVEHHT-IAGOWNOFSA-N 2 2 328.481 3.368 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689720 1297539366 /nfs/dbraw/zinc/53/93/66/1297539366.db2.gz IRNOJMNONPDIRK-DOTOQJQBSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689720 1297539373 /nfs/dbraw/zinc/53/93/73/1297539373.db2.gz IRNOJMNONPDIRK-DOTOQJQBSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000382906547 1297565932 /nfs/dbraw/zinc/56/59/32/1297565932.db2.gz ODYOCDIGYJJULT-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP COc1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000390771023 1297634784 /nfs/dbraw/zinc/63/47/84/1297634784.db2.gz LJPZWDXSMGRHPC-SFHVURJKSA-N 2 2 331.485 3.154 20 0 EGADLP COc1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000390771023 1297634787 /nfs/dbraw/zinc/63/47/87/1297634787.db2.gz LJPZWDXSMGRHPC-SFHVURJKSA-N 2 2 331.485 3.154 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000392071853 1297650989 /nfs/dbraw/zinc/65/09/89/1297650989.db2.gz WCXGMOQUFIOHTL-QRFRQXIXSA-N 2 2 332.488 3.235 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000392071853 1297650992 /nfs/dbraw/zinc/65/09/92/1297650992.db2.gz WCXGMOQUFIOHTL-QRFRQXIXSA-N 2 2 332.488 3.235 20 0 EGADLP c1sc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1-c1ccccc1 ZINC000393372918 1297666126 /nfs/dbraw/zinc/66/61/26/1297666126.db2.gz HPNUHKZETFVUGE-QZTJIDSGSA-N 2 2 328.481 3.368 20 0 EGADLP c1sc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1-c1ccccc1 ZINC000393372918 1297666135 /nfs/dbraw/zinc/66/61/35/1297666135.db2.gz HPNUHKZETFVUGE-QZTJIDSGSA-N 2 2 328.481 3.368 20 0 EGADLP C[NH+](C)CC1([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CCC1 ZINC000393547505 1297670371 /nfs/dbraw/zinc/67/03/71/1297670371.db2.gz ULDJUKLPCVDUMT-UHFFFAOYSA-N 2 2 327.513 3.096 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724024050 1298343026 /nfs/dbraw/zinc/34/30/26/1298343026.db2.gz BONDPJXETLPDGM-IRXDYDNUSA-N 2 2 339.524 3.001 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000724026601 1298344204 /nfs/dbraw/zinc/34/42/04/1298344204.db2.gz GREWXBNKCXRQHC-IAGOWNOFSA-N 2 2 339.524 3.145 20 0 EGADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746657544 1298632548 /nfs/dbraw/zinc/63/25/48/1298632548.db2.gz GPBIJLMIHYMUMS-JOCHJYFZSA-N 2 2 338.495 3.454 20 0 EGADLP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000746657544 1298632554 /nfs/dbraw/zinc/63/25/54/1298632554.db2.gz GPBIJLMIHYMUMS-JOCHJYFZSA-N 2 2 338.495 3.454 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076202 1299147171 /nfs/dbraw/zinc/14/71/71/1299147171.db2.gz NVIUZMGWGMZCFH-HOCLYGCPSA-N 2 2 330.863 3.273 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076202 1299147176 /nfs/dbraw/zinc/14/71/76/1299147176.db2.gz NVIUZMGWGMZCFH-HOCLYGCPSA-N 2 2 330.863 3.273 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2csc3ccccc32)CC1 ZINC000754743377 1300206981 /nfs/dbraw/zinc/20/69/81/1300206981.db2.gz PQVCXSJFVSSAEV-HUUCEWRRSA-N 2 2 345.512 3.105 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757642349 1300701851 /nfs/dbraw/zinc/70/18/51/1300701851.db2.gz LMUXCLQXVLQIRO-MAUKXSAKSA-N 2 2 348.450 3.390 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757642349 1300701859 /nfs/dbraw/zinc/70/18/59/1300701859.db2.gz LMUXCLQXVLQIRO-MAUKXSAKSA-N 2 2 348.450 3.390 20 0 EGADLP CO[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)Cc1ccccc1 ZINC000880568844 1301163859 /nfs/dbraw/zinc/16/38/59/1301163859.db2.gz FAXPXJFNXOMFGS-SFTDATJTSA-N 2 2 335.451 3.472 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568069 1301164304 /nfs/dbraw/zinc/16/43/04/1301164304.db2.gz SMTKESIVNMDIID-SCTDSRPQSA-N 2 2 340.471 3.004 20 0 EGADLP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571893 1301165450 /nfs/dbraw/zinc/16/54/50/1301165450.db2.gz VCJBAAVEVKFWBL-HKUYNNGSSA-N 2 2 342.487 3.107 20 0 EGADLP Cc1ccccc1C([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1C ZINC000760894837 1301358802 /nfs/dbraw/zinc/35/88/02/1301358802.db2.gz QRXAVLJEZCXNIY-LJQANCHMSA-N 2 2 338.495 3.439 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)c2)[nH+]c1C ZINC000763987929 1301996952 /nfs/dbraw/zinc/99/69/52/1301996952.db2.gz NNDMREMMDWBGSR-MRXNPFEDSA-N 2 2 344.484 3.069 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)c2)[nH+]c1C ZINC000763987929 1301996958 /nfs/dbraw/zinc/99/69/58/1301996958.db2.gz NNDMREMMDWBGSR-MRXNPFEDSA-N 2 2 344.484 3.069 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000764662704 1302113026 /nfs/dbraw/zinc/11/30/26/1302113026.db2.gz PXOLTINPQFAHAP-UHFFFAOYSA-N 3 2 344.547 3.187 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000882951255 1302179608 /nfs/dbraw/zinc/17/96/08/1302179608.db2.gz WNNXYIULGJOFMA-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP CC1([NH+]2CCC2)CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000882961980 1302185240 /nfs/dbraw/zinc/18/52/40/1302185240.db2.gz DAFDRFAPYAVRHE-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000765836652 1302337526 /nfs/dbraw/zinc/33/75/26/1302337526.db2.gz FJHXLQOYPSPDGY-KRWDZBQOSA-N 2 2 349.544 3.219 20 0 EGADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857198752 1328524523 /nfs/dbraw/zinc/52/45/23/1328524523.db2.gz MZVRHJWBFSDIDC-QGZVFWFLSA-N 2 2 334.423 3.396 20 0 EGADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857198752 1328524524 /nfs/dbraw/zinc/52/45/24/1328524524.db2.gz MZVRHJWBFSDIDC-QGZVFWFLSA-N 2 2 334.423 3.396 20 0 EGADLP COc1ccc2c(c1)[nH+]ccc2N1CCC([N@H+](C)CC(F)F)CC1 ZINC000771162254 1303370199 /nfs/dbraw/zinc/37/01/99/1303370199.db2.gz IVAIUQGHDQYUMY-UHFFFAOYSA-N 2 2 335.398 3.409 20 0 EGADLP COc1ccc2c(c1)[nH+]ccc2N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000771162254 1303370204 /nfs/dbraw/zinc/37/02/04/1303370204.db2.gz IVAIUQGHDQYUMY-UHFFFAOYSA-N 2 2 335.398 3.409 20 0 EGADLP C[C@@H](O)CC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773016476 1303608099 /nfs/dbraw/zinc/60/80/99/1303608099.db2.gz PIBRBSYGUJZEJL-MRXNPFEDSA-N 2 2 333.520 3.108 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCCO1 ZINC000773101312 1303624690 /nfs/dbraw/zinc/62/46/90/1303624690.db2.gz BGTAKPAPNPGRSI-WOJBJXKFSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc2ccccc2[nH]1 ZINC000775623429 1303997019 /nfs/dbraw/zinc/99/70/19/1303997019.db2.gz QBSSYLKBUFZKEE-OXJNMPFZSA-N 2 2 349.478 3.238 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc2ccccc2[nH]1 ZINC000775623429 1303997023 /nfs/dbraw/zinc/99/70/23/1303997023.db2.gz QBSSYLKBUFZKEE-OXJNMPFZSA-N 2 2 349.478 3.238 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181437 1304926608 /nfs/dbraw/zinc/92/66/08/1304926608.db2.gz HXXAGXKCQSKMQU-MJGOQNOKSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181437 1304926614 /nfs/dbraw/zinc/92/66/14/1304926614.db2.gz HXXAGXKCQSKMQU-MJGOQNOKSA-N 2 2 333.907 3.039 20 0 EGADLP O=C(CCCC[NH+]1CCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783645635 1305122356 /nfs/dbraw/zinc/12/23/56/1305122356.db2.gz XKEDFAIOJVCZOI-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH+](C)C ZINC000785854353 1305454695 /nfs/dbraw/zinc/45/46/95/1305454695.db2.gz DPUCQBLGNHBISF-DNVCBOLYSA-N 2 2 336.439 3.064 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893706329 1306041917 /nfs/dbraw/zinc/04/19/17/1306041917.db2.gz COZKAHBCPZUFLZ-GFCCVEGCSA-N 2 2 348.472 3.396 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000893980088 1306161433 /nfs/dbraw/zinc/16/14/33/1306161433.db2.gz GXHDFLDHMOOVSJ-PQQCZJPDSA-N 2 2 345.506 3.329 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000791393854 1308980258 /nfs/dbraw/zinc/98/02/58/1308980258.db2.gz XIXSZDJXRQXXLJ-LJQANCHMSA-N 2 2 341.455 3.344 20 0 EGADLP CCc1c[nH]c2nc[nH+]c(N3CCC(CC)([NH+]4CCCC4)CC3)c12 ZINC000894906343 1309122514 /nfs/dbraw/zinc/12/25/14/1309122514.db2.gz MYKHHMCNVUEWOT-UHFFFAOYSA-N 2 2 327.476 3.365 20 0 EGADLP C[C@H](CC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)[NH+](C)C ZINC000895297378 1309274380 /nfs/dbraw/zinc/27/43/80/1309274380.db2.gz LNTIMDYKSAHBJS-LLVKDONJSA-N 2 2 328.382 3.022 20 0 EGADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000895298157 1309274631 /nfs/dbraw/zinc/27/46/31/1309274631.db2.gz RZNCWAVNUARVPX-MRXNPFEDSA-N 2 2 343.471 3.099 20 0 EGADLP C[C@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)C[NH+]1CCCC1 ZINC000796266175 1309948074 /nfs/dbraw/zinc/94/80/74/1309948074.db2.gz NTFKBULFXDZVBK-GFCCVEGCSA-N 2 2 341.286 3.463 20 0 EGADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCCCC2)n1 ZINC000796758092 1310081609 /nfs/dbraw/zinc/08/16/09/1310081609.db2.gz BWAXDPUTIVSYFK-MOPGFXCFSA-N 2 2 346.519 3.264 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576904 1319401836 /nfs/dbraw/zinc/40/18/36/1319401836.db2.gz ZYXRVQFWTCRBFQ-MFKMUULPSA-N 2 2 344.322 3.288 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576904 1319401841 /nfs/dbraw/zinc/40/18/41/1319401841.db2.gz ZYXRVQFWTCRBFQ-MFKMUULPSA-N 2 2 344.322 3.288 20 0 EGADLP OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218712 1310225917 /nfs/dbraw/zinc/22/59/17/1310225917.db2.gz FVSNVAKOMPXENI-MSOLQXFVSA-N 2 2 349.837 3.063 20 0 EGADLP OCC[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218712 1310225923 /nfs/dbraw/zinc/22/59/23/1310225923.db2.gz FVSNVAKOMPXENI-MSOLQXFVSA-N 2 2 349.837 3.063 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000798498737 1310372755 /nfs/dbraw/zinc/37/27/55/1310372755.db2.gz YWSFFIIIDDATIT-NRFANRHFSA-N 2 2 339.483 3.482 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000798498737 1310372762 /nfs/dbraw/zinc/37/27/62/1310372762.db2.gz YWSFFIIIDDATIT-NRFANRHFSA-N 2 2 339.483 3.482 20 0 EGADLP COc1cccc(-c2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)on2)c1 ZINC000897840529 1310487146 /nfs/dbraw/zinc/48/71/46/1310487146.db2.gz COAZSRADUWQUQB-UHFFFAOYSA-N 2 2 341.455 3.314 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000800490582 1310768692 /nfs/dbraw/zinc/76/86/92/1310768692.db2.gz ICEVTAXAOLBHSS-XLIONFOSSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000800490582 1310768696 /nfs/dbraw/zinc/76/86/96/1310768696.db2.gz ICEVTAXAOLBHSS-XLIONFOSSA-N 2 2 326.488 3.291 20 0 EGADLP O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929502511 1328618382 /nfs/dbraw/zinc/61/83/82/1328618382.db2.gz OQAXQJMKRNHSNX-UHFFFAOYSA-N 2 2 334.423 3.089 20 0 EGADLP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000900000185 1317216561 /nfs/dbraw/zinc/21/65/61/1317216561.db2.gz CXYUEQOHSFYTSG-PBHICJAKSA-N 2 2 344.459 3.005 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1)[NH+](C)C ZINC000957356374 1317306216 /nfs/dbraw/zinc/30/62/16/1317306216.db2.gz OMMSMGJIUSOHBK-FXAWDEMLSA-N 2 2 345.531 3.355 20 0 EGADLP CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)CC1 ZINC000957566765 1317464896 /nfs/dbraw/zinc/46/48/96/1317464896.db2.gz WTGYHMRZANJJRJ-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957626576 1317504320 /nfs/dbraw/zinc/50/43/20/1317504320.db2.gz WXFFDINUOHCSGO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000957636737 1317510816 /nfs/dbraw/zinc/51/08/16/1317510816.db2.gz CNZSZOMSXSCHDN-MRXNPFEDSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001020296026 1317632013 /nfs/dbraw/zinc/63/20/13/1317632013.db2.gz ASXKFZWWUBHNLH-IYARVYRRSA-N 2 2 348.450 3.230 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001020296682 1317633534 /nfs/dbraw/zinc/63/35/34/1317633534.db2.gz ZSGRJZSBYGYUDK-ZTFGCOKTSA-N 2 2 348.450 3.483 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)Nc1c(Cl)cccc1Cl ZINC000903863215 1317739539 /nfs/dbraw/zinc/73/95/39/1317739539.db2.gz AFYBURSQHSWGDT-INIZCTEOSA-N 2 2 342.270 3.150 20 0 EGADLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)Nc1c(Cl)cccc1Cl ZINC000903863215 1317739545 /nfs/dbraw/zinc/73/95/45/1317739545.db2.gz AFYBURSQHSWGDT-INIZCTEOSA-N 2 2 342.270 3.150 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903899907 1317744756 /nfs/dbraw/zinc/74/47/56/1317744756.db2.gz YLMBKQMLZWCVCG-BBRMVZONSA-N 2 2 347.400 3.016 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc(C[N@@H+](C)CC(C)(C)C)n2)cn1 ZINC000903999578 1317765547 /nfs/dbraw/zinc/76/55/47/1317765547.db2.gz OTTCDSZVPGOARI-UHFFFAOYSA-N 2 2 340.431 3.104 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc(C[N@H+](C)CC(C)(C)C)n2)cn1 ZINC000903999578 1317765553 /nfs/dbraw/zinc/76/55/53/1317765553.db2.gz OTTCDSZVPGOARI-UHFFFAOYSA-N 2 2 340.431 3.104 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000904268727 1317821983 /nfs/dbraw/zinc/82/19/83/1317821983.db2.gz ZYJUDGIKLHAFCM-UHFFFAOYSA-N 2 2 335.411 3.285 20 0 EGADLP FC(F)(F)c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)[nH]n1 ZINC000904416100 1317845079 /nfs/dbraw/zinc/84/50/79/1317845079.db2.gz HEFIBUQMKNFWPH-LBPRGKRZSA-N 2 2 330.398 3.030 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809753527 1317891976 /nfs/dbraw/zinc/89/19/76/1317891976.db2.gz VNROONQPGDTALS-UHFFFAOYSA-N 2 2 338.496 3.241 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809753527 1317891983 /nfs/dbraw/zinc/89/19/83/1317891983.db2.gz VNROONQPGDTALS-UHFFFAOYSA-N 2 2 338.496 3.241 20 0 EGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810125825 1317957946 /nfs/dbraw/zinc/95/79/46/1317957946.db2.gz ARNKAFLRUQRMLG-INIZCTEOSA-N 2 2 326.444 3.141 20 0 EGADLP Cc1nnc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC000810159090 1317966012 /nfs/dbraw/zinc/96/60/12/1317966012.db2.gz CTZLGNWIUOYSLM-MRXNPFEDSA-N 2 2 330.501 3.032 20 0 EGADLP Cc1nnc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC000810159090 1317966017 /nfs/dbraw/zinc/96/60/17/1317966017.db2.gz CTZLGNWIUOYSLM-MRXNPFEDSA-N 2 2 330.501 3.032 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)nc1 ZINC000810209072 1317976520 /nfs/dbraw/zinc/97/65/20/1317976520.db2.gz LIPXUMSZLUXRCJ-LBPRGKRZSA-N 2 2 349.276 3.270 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC000960151280 1318383834 /nfs/dbraw/zinc/38/38/34/1318383834.db2.gz XGFRZEKDBSXIIC-RDJZCZTQSA-N 2 2 346.500 3.067 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603062 1318447216 /nfs/dbraw/zinc/44/72/16/1318447216.db2.gz LUECTNDBGDAADR-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603062 1318447224 /nfs/dbraw/zinc/44/72/24/1318447224.db2.gz LUECTNDBGDAADR-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603062 1318447229 /nfs/dbraw/zinc/44/72/29/1318447229.db2.gz LUECTNDBGDAADR-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603062 1318447234 /nfs/dbraw/zinc/44/72/34/1318447234.db2.gz LUECTNDBGDAADR-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590168 1318720037 /nfs/dbraw/zinc/72/00/37/1318720037.db2.gz JYUPQGVMMIFOEF-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590168 1318720047 /nfs/dbraw/zinc/72/00/47/1318720047.db2.gz JYUPQGVMMIFOEF-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnn(C)c1Cl ZINC000815130188 1318904199 /nfs/dbraw/zinc/90/41/99/1318904199.db2.gz WGDPBGRUGHHYCZ-HUUCEWRRSA-N 2 2 346.906 3.320 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000817890971 1319452993 /nfs/dbraw/zinc/45/29/93/1319452993.db2.gz CSGUNJRKFRHCIW-IKGGRYGDSA-N 2 2 336.357 3.171 20 0 EGADLP Cc1ccccc1C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccco1 ZINC000820807344 1319957585 /nfs/dbraw/zinc/95/75/85/1319957585.db2.gz GCOFRXDQQDUVML-HXUWFJFHSA-N 2 2 342.483 3.308 20 0 EGADLP C[C@@H]1C[C@H](C[NH2+]C2(C[NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824333090 1320249093 /nfs/dbraw/zinc/24/90/93/1320249093.db2.gz SKLVMTUDFYYINM-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841026601 1321203207 /nfs/dbraw/zinc/20/32/07/1321203207.db2.gz KVGUDVJUZWLTCY-UHFFFAOYSA-N 2 2 332.879 3.043 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000841062918 1321211733 /nfs/dbraw/zinc/21/17/33/1321211733.db2.gz ZIIJUWJUWBYUJW-CZUORRHYSA-N 2 2 332.879 3.123 20 0 EGADLP Cc1cccn2cc(Cc3noc([C@H](C)[C@H]([NH3+])c4ccccc4)n3)[nH+]c12 ZINC000843182453 1321483171 /nfs/dbraw/zinc/48/31/71/1321483171.db2.gz GGSUGNNTRQGBGA-KDOFPFPSSA-N 2 2 347.422 3.420 20 0 EGADLP C[C@@H](CC(=O)O[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583117 1321720458 /nfs/dbraw/zinc/72/04/58/1321720458.db2.gz SDMCAUUIOJVVTG-SCTDSRPQSA-N 2 2 341.455 3.431 20 0 EGADLP C[C@@H](CC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583117 1321720461 /nfs/dbraw/zinc/72/04/61/1321720461.db2.gz SDMCAUUIOJVVTG-SCTDSRPQSA-N 2 2 341.455 3.431 20 0 EGADLP COC(=O)/C=C\c1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)o1 ZINC000848891068 1322031752 /nfs/dbraw/zinc/03/17/52/1322031752.db2.gz NKJZBPINEARWLE-QXMHVHEDSA-N 2 2 334.460 3.210 20 0 EGADLP COC(=O)/C=C\c1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)o1 ZINC000848891068 1322031758 /nfs/dbraw/zinc/03/17/58/1322031758.db2.gz NKJZBPINEARWLE-QXMHVHEDSA-N 2 2 334.460 3.210 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000849062944 1322063026 /nfs/dbraw/zinc/06/30/26/1322063026.db2.gz HCDLDWPYEOVYJX-GOSISDBHSA-N 2 2 328.435 3.051 20 0 EGADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N2CCCCCC2)[NH+](C)C)cc1 ZINC000849077681 1322069222 /nfs/dbraw/zinc/06/92/22/1322069222.db2.gz IRDBILPZCCNVEI-LJQANCHMSA-N 2 2 346.519 3.477 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3SCCS3)CC2)cc1 ZINC000850402407 1322239447 /nfs/dbraw/zinc/23/94/47/1322239447.db2.gz ZLFJWWVLNRHPML-UHFFFAOYSA-N 2 2 337.558 3.117 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2cnccc2o1 ZINC000850432853 1322248629 /nfs/dbraw/zinc/24/86/29/1322248629.db2.gz CHVVXFGMRVQFHS-WMLDXEAASA-N 2 2 329.444 3.122 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492558 1322257968 /nfs/dbraw/zinc/25/79/68/1322257968.db2.gz DQZQRNBZJCXUNV-RRFJBIMHSA-N 2 2 327.513 3.141 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492558 1322257975 /nfs/dbraw/zinc/25/79/75/1322257975.db2.gz DQZQRNBZJCXUNV-RRFJBIMHSA-N 2 2 327.513 3.141 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000850543336 1322262829 /nfs/dbraw/zinc/26/28/29/1322262829.db2.gz HYCPBHQZFGEORF-OAGGEKHMSA-N 2 2 346.462 3.064 20 0 EGADLP Fc1cc(F)cc([C@@H]2COCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923389319 1322744358 /nfs/dbraw/zinc/74/43/58/1322744358.db2.gz OAZFRTWLVLGKAJ-CIGVMIAHSA-N 2 2 336.426 3.259 20 0 EGADLP Fc1cc(F)cc([C@@H]2COCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923389319 1322744365 /nfs/dbraw/zinc/74/43/65/1322744365.db2.gz OAZFRTWLVLGKAJ-CIGVMIAHSA-N 2 2 336.426 3.259 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000924605654 1323072114 /nfs/dbraw/zinc/07/21/14/1323072114.db2.gz HICKFOBQPUYCPP-MRXNPFEDSA-N 2 2 327.476 3.306 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ncco1 ZINC000924608414 1323073694 /nfs/dbraw/zinc/07/36/94/1323073694.db2.gz AYQAJCPXLUEKBR-BZUAXINKSA-N 2 2 329.444 3.135 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024041380 1323093635 /nfs/dbraw/zinc/09/36/35/1323093635.db2.gz YNIOMVORNBPOJJ-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)n1 ZINC000924693684 1323116584 /nfs/dbraw/zinc/11/65/84/1323116584.db2.gz GCSRUYWGTZMSKO-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnn(C)n1 ZINC000924693684 1323116588 /nfs/dbraw/zinc/11/65/88/1323116588.db2.gz GCSRUYWGTZMSKO-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc3c2OCO3)cn1 ZINC000924722228 1323133283 /nfs/dbraw/zinc/13/32/83/1323133283.db2.gz GQBMWFNGUWUQJQ-CYBMUJFWSA-N 2 2 336.395 3.155 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)CC1 ZINC001025149809 1323924120 /nfs/dbraw/zinc/92/41/20/1323924120.db2.gz JZCALJIYMFKNOJ-VMWRSERWSA-N 2 2 346.519 3.058 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457706 1324299069 /nfs/dbraw/zinc/29/90/69/1324299069.db2.gz DPURKCMHAHPAGJ-HUUCEWRRSA-N 2 2 328.460 3.193 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457706 1324299073 /nfs/dbraw/zinc/29/90/73/1324299073.db2.gz DPURKCMHAHPAGJ-HUUCEWRRSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493458 1324344476 /nfs/dbraw/zinc/34/44/76/1324344476.db2.gz OAAUPIJAGCFOLO-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493458 1324344481 /nfs/dbraw/zinc/34/44/81/1324344481.db2.gz OAAUPIJAGCFOLO-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001026515115 1324861430 /nfs/dbraw/zinc/86/14/30/1324861430.db2.gz FOQNHLXAJXGWNN-UHFFFAOYSA-N 2 2 340.471 3.384 20 0 EGADLP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001026527387 1324869004 /nfs/dbraw/zinc/86/90/04/1324869004.db2.gz MQHSCZPHMZGZEH-UHFFFAOYSA-N 2 2 340.471 3.155 20 0 EGADLP CC(C)C[NH2+]C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001026536027 1324873310 /nfs/dbraw/zinc/87/33/10/1324873310.db2.gz QQGOQCUCWLLWHP-UHFFFAOYSA-N 2 2 340.471 3.159 20 0 EGADLP CC[C@H]([NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC001026612793 1324934753 /nfs/dbraw/zinc/93/47/53/1324934753.db2.gz SRLDJIOOUWTSAM-ACBHZAAOSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299845 1325083869 /nfs/dbraw/zinc/08/38/69/1325083869.db2.gz WZYUIZSBRSRJMV-ZWKOTPCHSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299845 1325083873 /nfs/dbraw/zinc/08/38/73/1325083873.db2.gz WZYUIZSBRSRJMV-ZWKOTPCHSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cn(C)cn1 ZINC000925281401 1325112491 /nfs/dbraw/zinc/11/24/91/1325112491.db2.gz XYMNWJMVURXETP-YZLZLFLDSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn(C)cn1 ZINC000925281401 1325112504 /nfs/dbraw/zinc/11/25/04/1325112504.db2.gz XYMNWJMVURXETP-YZLZLFLDSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000925561209 1325209909 /nfs/dbraw/zinc/20/99/09/1325209909.db2.gz PZFXPSITASWYMI-AUUYWEPGSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001027097457 1325222157 /nfs/dbraw/zinc/22/21/57/1325222157.db2.gz WCLZNMSKKHGGGY-HKUYNNGSSA-N 2 2 346.519 3.243 20 0 EGADLP CN1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631103 1325239440 /nfs/dbraw/zinc/23/94/40/1325239440.db2.gz UQPNCRKRJALJHQ-XYPHTWIQSA-N 2 2 339.886 3.202 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(Cl)c(Cl)c1 ZINC000925670337 1325257063 /nfs/dbraw/zinc/25/70/63/1325257063.db2.gz KPPOAWQRWSIKHJ-ZRBHEUCUSA-N 2 2 341.282 3.003 20 0 EGADLP C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(C[NH+](C)C)c1 ZINC000925734886 1325274116 /nfs/dbraw/zinc/27/41/16/1325274116.db2.gz CMYLKLIQODHUJW-INIZCTEOSA-N 2 2 340.471 3.153 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796932 1325306063 /nfs/dbraw/zinc/30/60/63/1325306063.db2.gz NEVGBPBIUDIPGD-CLCXKQKWSA-N 2 2 332.463 3.197 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963550354 1325310580 /nfs/dbraw/zinc/31/05/80/1325310580.db2.gz BVGVORPQYSLPKO-UHFFFAOYSA-N 2 2 340.471 3.336 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(N2CCCC2)n1 ZINC000926449708 1325559586 /nfs/dbraw/zinc/55/95/86/1325559586.db2.gz QPBPYBDEBQCCSI-MOPGFXCFSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(N2CCCC2)n1 ZINC000926449708 1325559591 /nfs/dbraw/zinc/55/95/91/1325559591.db2.gz QPBPYBDEBQCCSI-MOPGFXCFSA-N 2 2 328.504 3.097 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926464277 1325563762 /nfs/dbraw/zinc/56/37/62/1325563762.db2.gz RQIWENOCELPKDU-YVWKXTFCSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926464277 1325563767 /nfs/dbraw/zinc/56/37/67/1325563767.db2.gz RQIWENOCELPKDU-YVWKXTFCSA-N 2 2 331.479 3.259 20 0 EGADLP COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926614429 1327635623 /nfs/dbraw/zinc/63/56/23/1327635623.db2.gz HVQXCXLKXGMTLG-CHWSQXEVSA-N 2 2 347.484 3.403 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000926681939 1327664981 /nfs/dbraw/zinc/66/49/81/1327664981.db2.gz DOJPDVZOPQYVCB-IBGZPJMESA-N 2 2 331.504 3.045 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000926681939 1327664990 /nfs/dbraw/zinc/66/49/90/1327664990.db2.gz DOJPDVZOPQYVCB-IBGZPJMESA-N 2 2 331.504 3.045 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CC3)C2)c(C)[nH+]1 ZINC001027500651 1327765507 /nfs/dbraw/zinc/76/55/07/1327765507.db2.gz IQZKIRJNYVZOQA-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)c(C)[nH+]1 ZINC001027500651 1327765518 /nfs/dbraw/zinc/76/55/18/1327765518.db2.gz IQZKIRJNYVZOQA-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514180 1327783487 /nfs/dbraw/zinc/78/34/87/1327783487.db2.gz DOOFBGFDIOWXNB-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514180 1327783495 /nfs/dbraw/zinc/78/34/95/1327783495.db2.gz DOOFBGFDIOWXNB-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108816 1328188807 /nfs/dbraw/zinc/18/88/07/1328188807.db2.gz YIPJOZWRUYIVQC-CRAIPNDOSA-N 2 2 340.471 3.049 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108816 1328188812 /nfs/dbraw/zinc/18/88/12/1328188812.db2.gz YIPJOZWRUYIVQC-CRAIPNDOSA-N 2 2 340.471 3.049 20 0 EGADLP C[NH+](C)CC1(C[NH2+]Cc2cccnc2Br)CCCC1 ZINC000865527469 1329709353 /nfs/dbraw/zinc/70/93/53/1329709353.db2.gz FQOQTXSCXQHZGY-UHFFFAOYSA-N 2 2 326.282 3.056 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622987 1329721522 /nfs/dbraw/zinc/72/15/22/1329721522.db2.gz HRXSDOGONWXYII-ROUUACIJSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622987 1329721524 /nfs/dbraw/zinc/72/15/24/1329721524.db2.gz HRXSDOGONWXYII-ROUUACIJSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(NCc4ccccc4)[nH+]cn3)C2)C1 ZINC000865832885 1329743190 /nfs/dbraw/zinc/74/31/90/1329743190.db2.gz QPRYSVLEZLKURI-FQEVSTJZSA-N 2 2 337.471 3.011 20 0 EGADLP C[N@H+]1CCC[C@]2(CCN(c3cc(NCc4ccccc4)[nH+]cn3)C2)C1 ZINC000865832885 1329743191 /nfs/dbraw/zinc/74/31/91/1329743191.db2.gz QPRYSVLEZLKURI-FQEVSTJZSA-N 2 2 337.471 3.011 20 0 EGADLP CC[NH+]1CCN(c2ccc(NCc3c[nH+]cn3C(C)C)cc2F)CC1 ZINC000865847859 1329744925 /nfs/dbraw/zinc/74/49/25/1329744925.db2.gz ACHPJFZLWQFREL-UHFFFAOYSA-N 2 2 345.466 3.357 20 0 EGADLP CCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000934086343 1329945546 /nfs/dbraw/zinc/94/55/46/1329945546.db2.gz HNFCJJWKIWTCBA-KRWDZBQOSA-N 2 2 345.491 3.020 20 0 EGADLP CCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000934086343 1329945547 /nfs/dbraw/zinc/94/55/47/1329945547.db2.gz HNFCJJWKIWTCBA-KRWDZBQOSA-N 2 2 345.491 3.020 20 0 EGADLP Cc1ccc2c(C)cc(N3CCC([NH+]4CCN(C)CC4)CC3)[nH+]c2c1 ZINC000866214119 1330079375 /nfs/dbraw/zinc/07/93/75/1330079375.db2.gz JHPNONFICWHLQG-UHFFFAOYSA-N 2 2 338.499 3.068 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](COC)c2cccc(Br)c2)CC1 ZINC000866596580 1330131325 /nfs/dbraw/zinc/13/13/25/1330131325.db2.gz HORRFQCMTNWLPQ-MRXNPFEDSA-N 2 2 341.293 3.211 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183490 1331866746 /nfs/dbraw/zinc/86/67/46/1331866746.db2.gz HYOMPKQZOIURSQ-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183490 1331866752 /nfs/dbraw/zinc/86/67/52/1331866752.db2.gz HYOMPKQZOIURSQ-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486025 1331944469 /nfs/dbraw/zinc/94/44/69/1331944469.db2.gz LABKGQOXEYQMSZ-DOTOQJQBSA-N 2 2 342.487 3.211 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486025 1331944471 /nfs/dbraw/zinc/94/44/71/1331944471.db2.gz LABKGQOXEYQMSZ-DOTOQJQBSA-N 2 2 342.487 3.211 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC000944442548 1332413282 /nfs/dbraw/zinc/41/32/82/1332413282.db2.gz DHEKURZHLXGWND-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C[C@H]1C ZINC000944442548 1332413283 /nfs/dbraw/zinc/41/32/83/1332413283.db2.gz DHEKURZHLXGWND-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947881820 1333289747 /nfs/dbraw/zinc/28/97/47/1333289747.db2.gz JRCYQYLORZTTJC-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947881820 1333289748 /nfs/dbraw/zinc/28/97/48/1333289748.db2.gz JRCYQYLORZTTJC-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948554180 1333573329 /nfs/dbraw/zinc/57/33/29/1333573329.db2.gz RPIAUHYKTVTOID-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948554180 1333573331 /nfs/dbraw/zinc/57/33/31/1333573331.db2.gz RPIAUHYKTVTOID-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CCN(C(=O)c1occc1C[NH+](C)C)C1C[NH+](CC2CCCCC2)C1 ZINC000951552124 1334264014 /nfs/dbraw/zinc/26/40/14/1334264014.db2.gz MRWAULYJPXHRCH-UHFFFAOYSA-N 2 2 347.503 3.068 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1C ZINC000968596381 1335978168 /nfs/dbraw/zinc/97/81/68/1335978168.db2.gz ISDQANMYOFVDBG-BEFAXECRSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1C ZINC000968596381 1335978172 /nfs/dbraw/zinc/97/81/72/1335978172.db2.gz ISDQANMYOFVDBG-BEFAXECRSA-N 2 2 346.519 3.058 20 0 EGADLP CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969676091 1336236289 /nfs/dbraw/zinc/23/62/89/1336236289.db2.gz XAUWPWHTCZXOQM-OAHLLOKOSA-N 2 2 342.487 3.129 20 0 EGADLP CCC(CC)C[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001006293211 1336484672 /nfs/dbraw/zinc/48/46/72/1336484672.db2.gz YPAAOKWGZLPNBQ-UHFFFAOYSA-N 2 2 334.508 3.046 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517323 1337033114 /nfs/dbraw/zinc/03/31/14/1337033114.db2.gz BLUDAQFOFNMWQJ-HZPDHXFCSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517323 1337033117 /nfs/dbraw/zinc/03/31/17/1337033117.db2.gz BLUDAQFOFNMWQJ-HZPDHXFCSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523778 1337033296 /nfs/dbraw/zinc/03/32/96/1337033296.db2.gz LZYYVCUPPBLARH-QAPCUYQASA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523778 1337033298 /nfs/dbraw/zinc/03/32/98/1337033298.db2.gz LZYYVCUPPBLARH-QAPCUYQASA-N 2 2 349.906 3.077 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806782 1371175050 /nfs/dbraw/zinc/17/50/50/1371175050.db2.gz HLKWUFASJPPODR-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206806782 1371175052 /nfs/dbraw/zinc/17/50/52/1371175052.db2.gz HLKWUFASJPPODR-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015937675 1338366431 /nfs/dbraw/zinc/36/64/31/1338366431.db2.gz GZABDXNRDYVYHF-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015937675 1338366435 /nfs/dbraw/zinc/36/64/35/1338366435.db2.gz GZABDXNRDYVYHF-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001028632513 1340734642 /nfs/dbraw/zinc/73/46/42/1340734642.db2.gz LOTHMWHPKHKMBH-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001028632513 1340734645 /nfs/dbraw/zinc/73/46/45/1340734645.db2.gz LOTHMWHPKHKMBH-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)n1cc[nH+]c1 ZINC001032656829 1341572298 /nfs/dbraw/zinc/57/22/98/1341572298.db2.gz NUVVXPJOASLJDU-WDSOQIARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)n1cc[nH+]c1 ZINC001032656829 1341572299 /nfs/dbraw/zinc/57/22/99/1341572299.db2.gz NUVVXPJOASLJDU-WDSOQIARSA-N 2 2 344.503 3.090 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033913093 1342082341 /nfs/dbraw/zinc/08/23/41/1342082341.db2.gz NPWFLFXMRQQLMY-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033913093 1342082345 /nfs/dbraw/zinc/08/23/45/1342082345.db2.gz NPWFLFXMRQQLMY-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206496 1342317270 /nfs/dbraw/zinc/31/72/70/1342317270.db2.gz JSESLDXNRXDSHW-QAPCUYQASA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206496 1342317274 /nfs/dbraw/zinc/31/72/74/1342317274.db2.gz JSESLDXNRXDSHW-QAPCUYQASA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001034260232 1342353441 /nfs/dbraw/zinc/35/34/41/1342353441.db2.gz GQLNOSKZFHJKRP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001034260232 1342353445 /nfs/dbraw/zinc/35/34/45/1342353445.db2.gz GQLNOSKZFHJKRP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001034546497 1342609830 /nfs/dbraw/zinc/60/98/30/1342609830.db2.gz FNTQZCSTVIYMRV-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001034546497 1342609832 /nfs/dbraw/zinc/60/98/32/1342609832.db2.gz FNTQZCSTVIYMRV-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001034975259 1342861465 /nfs/dbraw/zinc/86/14/65/1342861465.db2.gz UUCHCRVJPVFPJS-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(C[NH+](CC4CCC4)C3)CC2)c(C)[nH+]1 ZINC001035753451 1343170739 /nfs/dbraw/zinc/17/07/39/1343170739.db2.gz WAPRPWJDUDVKGE-UHFFFAOYSA-N 2 2 341.499 3.345 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001036273821 1343391221 /nfs/dbraw/zinc/39/12/21/1343391221.db2.gz HOMQCAGVQANWDR-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]CC(C)C ZINC001037884943 1344160022 /nfs/dbraw/zinc/16/00/22/1344160022.db2.gz BLODXWNMJBWURU-ROUUACIJSA-N 2 2 331.504 3.493 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037965364 1344208311 /nfs/dbraw/zinc/20/83/11/1344208311.db2.gz CZXZXMYBVDQUGJ-QZTJIDSGSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556078 1344481788 /nfs/dbraw/zinc/48/17/88/1344481788.db2.gz CLFUXQHOZSYIJK-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556078 1344481791 /nfs/dbraw/zinc/48/17/91/1344481791.db2.gz CLFUXQHOZSYIJK-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161720 1344846780 /nfs/dbraw/zinc/84/67/80/1344846780.db2.gz MRBMIUNEMXVVES-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161720 1344846782 /nfs/dbraw/zinc/84/67/82/1344846782.db2.gz MRBMIUNEMXVVES-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868459 1345590254 /nfs/dbraw/zinc/59/02/54/1345590254.db2.gz RSZXOYSFZYGBQB-SFHVURJKSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041405698 1345719159 /nfs/dbraw/zinc/71/91/59/1345719159.db2.gz DYSKZFXDUCOYEK-FQEVSTJZSA-N 2 2 338.455 3.067 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041405698 1345719161 /nfs/dbraw/zinc/71/91/61/1345719161.db2.gz DYSKZFXDUCOYEK-FQEVSTJZSA-N 2 2 338.455 3.067 20 0 EGADLP Cc1c(C(=O)N(C)C2C[NH+]([C@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001043180399 1346150705 /nfs/dbraw/zinc/15/07/05/1346150705.db2.gz IGSVAQZSROQHPM-OAHLLOKOSA-N 2 2 348.450 3.160 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001043232608 1346155724 /nfs/dbraw/zinc/15/57/24/1346155724.db2.gz MQRKSLMEKACYRB-MRXNPFEDSA-N 2 2 348.450 3.160 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CC4CCC4)C[C@@H]3C)ccn12 ZINC001044604661 1346380485 /nfs/dbraw/zinc/38/04/85/1346380485.db2.gz LJNCJQCBVCUBAG-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751457 1346419715 /nfs/dbraw/zinc/41/97/15/1346419715.db2.gz TYCQSIFMGQDVIN-NVXWUHKLSA-N 2 2 346.519 3.138 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045804062 1346702932 /nfs/dbraw/zinc/70/29/32/1346702932.db2.gz NVCGGZIEQRXFSH-SJORKVTESA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045804062 1346702933 /nfs/dbraw/zinc/70/29/33/1346702933.db2.gz NVCGGZIEQRXFSH-SJORKVTESA-N 2 2 338.455 3.042 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513481 1347000468 /nfs/dbraw/zinc/00/04/68/1347000468.db2.gz XAVFYEOBWKLBCR-JXFKEZNVSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513481 1347000470 /nfs/dbraw/zinc/00/04/70/1347000470.db2.gz XAVFYEOBWKLBCR-JXFKEZNVSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001047910699 1347406687 /nfs/dbraw/zinc/40/66/87/1347406687.db2.gz UPYPYOVVVFUPLX-CRAIPNDOSA-N 2 2 329.488 3.247 20 0 EGADLP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048544373 1347586056 /nfs/dbraw/zinc/58/60/56/1347586056.db2.gz AISMOURSTODXFB-BJWYYQGGSA-N 2 2 340.471 3.107 20 0 EGADLP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc3[nH+]ccn31)C2 ZINC001048544373 1347586061 /nfs/dbraw/zinc/58/60/61/1347586061.db2.gz AISMOURSTODXFB-BJWYYQGGSA-N 2 2 340.471 3.107 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001050684334 1348325991 /nfs/dbraw/zinc/32/59/91/1348325991.db2.gz JFJPZGJMEFRJBM-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553436 1348576939 /nfs/dbraw/zinc/57/69/39/1348576939.db2.gz FFDCDKQAOJMTLP-KRWDZBQOSA-N 2 2 342.487 3.355 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553436 1348576941 /nfs/dbraw/zinc/57/69/41/1348576941.db2.gz FFDCDKQAOJMTLP-KRWDZBQOSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553356 1348577054 /nfs/dbraw/zinc/57/70/54/1348577054.db2.gz DAJPXKDEPZTEFY-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553356 1348577055 /nfs/dbraw/zinc/57/70/55/1348577055.db2.gz DAJPXKDEPZTEFY-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836012 1348694894 /nfs/dbraw/zinc/69/48/94/1348694894.db2.gz AGALNJHYORAQMC-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836012 1348694895 /nfs/dbraw/zinc/69/48/95/1348694895.db2.gz AGALNJHYORAQMC-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053051941 1348855946 /nfs/dbraw/zinc/85/59/46/1348855946.db2.gz RIKUUSQAOGXPTI-SJORKVTESA-N 2 2 346.519 3.048 20 0 EGADLP CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053051941 1348855950 /nfs/dbraw/zinc/85/59/50/1348855950.db2.gz RIKUUSQAOGXPTI-SJORKVTESA-N 2 2 346.519 3.048 20 0 EGADLP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092227 1348918370 /nfs/dbraw/zinc/91/83/70/1348918370.db2.gz FUXHPUUVHKGGPV-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092227 1348918374 /nfs/dbraw/zinc/91/83/74/1348918374.db2.gz FUXHPUUVHKGGPV-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228597 1349222924 /nfs/dbraw/zinc/22/29/24/1349222924.db2.gz UILFCNYAMYFLCF-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228597 1349222928 /nfs/dbraw/zinc/22/29/28/1349222928.db2.gz UILFCNYAMYFLCF-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711910 1354870139 /nfs/dbraw/zinc/87/01/39/1354870139.db2.gz GIWBDNXEBHOENR-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711910 1354870142 /nfs/dbraw/zinc/87/01/42/1354870142.db2.gz GIWBDNXEBHOENR-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCC1CCCCCC1 ZINC001072124324 1355142402 /nfs/dbraw/zinc/14/24/02/1355142402.db2.gz YZCSJZQMSHIAHM-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCC1CCCCCC1 ZINC001072124324 1355142403 /nfs/dbraw/zinc/14/24/03/1355142403.db2.gz YZCSJZQMSHIAHM-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001072323146 1355237226 /nfs/dbraw/zinc/23/72/26/1355237226.db2.gz TVWZCWXXPZAKHW-FZKQIMNGSA-N 2 2 329.488 3.105 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325915 1363752056 /nfs/dbraw/zinc/75/20/56/1363752056.db2.gz ZYGSTWAGBFFYDD-QGZVFWFLSA-N 2 2 348.535 3.304 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325915 1363752059 /nfs/dbraw/zinc/75/20/59/1363752059.db2.gz ZYGSTWAGBFFYDD-QGZVFWFLSA-N 2 2 348.535 3.304 20 0 EGADLP CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001085271914 1358448882 /nfs/dbraw/zinc/44/88/82/1358448882.db2.gz DPAQHIPSALYZED-BHUNQDJPSA-N 2 2 340.471 3.011 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905550 1358864983 /nfs/dbraw/zinc/86/49/83/1358864983.db2.gz IQXYTZZELMYTMS-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905550 1358864989 /nfs/dbraw/zinc/86/49/89/1358864989.db2.gz IQXYTZZELMYTMS-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CCc1ccc(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001323472928 1387374283 /nfs/dbraw/zinc/37/42/83/1387374283.db2.gz UCVVMBSGDBWMQQ-UHFFFAOYSA-N 2 2 348.450 3.178 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945415 1359266661 /nfs/dbraw/zinc/26/66/61/1359266661.db2.gz APCDKGPFUCIRDT-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1CC2(CN1C(=O)Cc1c[nH+]c[nH]1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086945742 1359267186 /nfs/dbraw/zinc/26/71/86/1359267186.db2.gz HQGCIPKXUJPBDQ-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1)c1ccccc1 ZINC001088434098 1359902920 /nfs/dbraw/zinc/90/29/20/1359902920.db2.gz OZPQYVNJZSNUBU-PKOBYXMFSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001089235084 1360273880 /nfs/dbraw/zinc/27/38/80/1360273880.db2.gz KREJOJVTCYFKJX-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001089235084 1360273883 /nfs/dbraw/zinc/27/38/83/1360273883.db2.gz KREJOJVTCYFKJX-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654097 1360566430 /nfs/dbraw/zinc/56/64/30/1360566430.db2.gz UPVFBRPXQPYLAQ-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654097 1360566433 /nfs/dbraw/zinc/56/64/33/1360566433.db2.gz UPVFBRPXQPYLAQ-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654097 1360566436 /nfs/dbraw/zinc/56/64/36/1360566436.db2.gz UPVFBRPXQPYLAQ-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654097 1360566440 /nfs/dbraw/zinc/56/64/40/1360566440.db2.gz UPVFBRPXQPYLAQ-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184650949 1387503144 /nfs/dbraw/zinc/50/31/44/1387503144.db2.gz BGYIQDFAJQGBRU-HZPDHXFCSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184654989 1387504360 /nfs/dbraw/zinc/50/43/60/1387504360.db2.gz XVMSJRHJJNJAFC-AEFFLSMTSA-N 2 2 348.535 3.191 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001324037294 1387515125 /nfs/dbraw/zinc/51/51/25/1387515125.db2.gz YHHWNKNAELVRFZ-UHFFFAOYSA-N 2 2 340.414 3.131 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252028 1363715025 /nfs/dbraw/zinc/71/50/25/1363715025.db2.gz QKNBZXIQCHQCKL-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252028 1363715028 /nfs/dbraw/zinc/71/50/28/1363715028.db2.gz QKNBZXIQCHQCKL-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323832 1363750191 /nfs/dbraw/zinc/75/01/91/1363750191.db2.gz BNRPVPZKKXBWGH-DKRLNXSXSA-N 2 2 346.519 3.224 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323832 1363750194 /nfs/dbraw/zinc/75/01/94/1363750194.db2.gz BNRPVPZKKXBWGH-DKRLNXSXSA-N 2 2 346.519 3.224 20 0 EGADLP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100427758 1364109940 /nfs/dbraw/zinc/10/99/40/1364109940.db2.gz GPZUMHCTBSRANR-LKFCSYKXSA-N 2 2 346.519 3.311 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC2CC([NH2+]C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001100441213 1364116042 /nfs/dbraw/zinc/11/60/42/1364116042.db2.gz HNEZPWFTVBIQNI-ZLPCBKJTSA-N 2 2 348.535 3.093 20 0 EGADLP C[C@H](CC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001100715484 1364232708 /nfs/dbraw/zinc/23/27/08/1364232708.db2.gz NTLXWPIFQPNZNY-IPJUCJBFSA-N 2 2 346.519 3.289 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1)n1cc[nH+]c1 ZINC001101579702 1364632735 /nfs/dbraw/zinc/63/27/35/1364632735.db2.gz RSJRHNRXAGPDBO-INIZCTEOSA-N 2 2 346.519 3.099 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185493876 1387731768 /nfs/dbraw/zinc/73/17/68/1387731768.db2.gz YPAZBCZEQGKWKC-WBVHZDCISA-N 2 2 348.535 3.198 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185491927 1387730476 /nfs/dbraw/zinc/73/04/76/1387730476.db2.gz JRFUBOZRLOFKLB-IRXDYDNUSA-N 2 2 348.535 3.342 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925394 1365295216 /nfs/dbraw/zinc/29/52/16/1365295216.db2.gz UEEWOKJXJDWOOH-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925394 1365295218 /nfs/dbraw/zinc/29/52/18/1365295218.db2.gz UEEWOKJXJDWOOH-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118934 1365392569 /nfs/dbraw/zinc/39/25/69/1365392569.db2.gz WKQXZMCXJPDUSF-QRVBRYPASA-N 2 2 348.535 3.345 20 0 EGADLP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118934 1365392570 /nfs/dbraw/zinc/39/25/70/1365392570.db2.gz WKQXZMCXJPDUSF-QRVBRYPASA-N 2 2 348.535 3.345 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425823 1365552773 /nfs/dbraw/zinc/55/27/73/1365552773.db2.gz QUPRDNYQPJNQJC-ZACQAIPSSA-N 2 2 346.519 3.094 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425823 1365552777 /nfs/dbraw/zinc/55/27/77/1365552777.db2.gz QUPRDNYQPJNQJC-ZACQAIPSSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H](CC(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001103478911 1365586924 /nfs/dbraw/zinc/58/69/24/1365586924.db2.gz CZWBAZDMTMUIKJ-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@H](CC(=O)NCC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001103478911 1365586928 /nfs/dbraw/zinc/58/69/28/1365586928.db2.gz CZWBAZDMTMUIKJ-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479551 1365587292 /nfs/dbraw/zinc/58/72/92/1365587292.db2.gz OVIAWIHHODCKST-DRDDEIGGSA-N 2 2 346.519 3.265 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479551 1365587294 /nfs/dbraw/zinc/58/72/94/1365587294.db2.gz OVIAWIHHODCKST-DRDDEIGGSA-N 2 2 346.519 3.265 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517529 1365608357 /nfs/dbraw/zinc/60/83/57/1365608357.db2.gz RDWCGWNERZXHIJ-KZNAEPCWSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517529 1365608360 /nfs/dbraw/zinc/60/83/60/1365608360.db2.gz RDWCGWNERZXHIJ-KZNAEPCWSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517529 1365608363 /nfs/dbraw/zinc/60/83/63/1365608363.db2.gz RDWCGWNERZXHIJ-KZNAEPCWSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517529 1365608368 /nfs/dbraw/zinc/60/83/68/1365608368.db2.gz RDWCGWNERZXHIJ-KZNAEPCWSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566797 1366535377 /nfs/dbraw/zinc/53/53/77/1366535377.db2.gz VPRUVIAEXVIWDH-MSOLQXFVSA-N 2 2 346.519 3.384 20 0 EGADLP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105585675 1366544147 /nfs/dbraw/zinc/54/41/47/1366544147.db2.gz UUUVRDSSXLLLHH-SFHVURJKSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106289143 1366644130 /nfs/dbraw/zinc/64/41/30/1366644130.db2.gz ZSDQZVXOYVMZLS-QRVBRYPASA-N 2 2 348.535 3.201 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710604 1366778316 /nfs/dbraw/zinc/77/83/16/1366778316.db2.gz NKZPTGKRGKSSCC-ZIFCJYIRSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818120 1367358233 /nfs/dbraw/zinc/35/82/33/1367358233.db2.gz OEGASCAJGRZJAB-RBUKOAKNSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818120 1367358237 /nfs/dbraw/zinc/35/82/37/1367358237.db2.gz OEGASCAJGRZJAB-RBUKOAKNSA-N 2 2 348.535 3.439 20 0 EGADLP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900106 1367377979 /nfs/dbraw/zinc/37/79/79/1367377979.db2.gz NYHSVNXHHOZNDI-QGZVFWFLSA-N 2 2 334.508 3.040 20 0 EGADLP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900106 1367377985 /nfs/dbraw/zinc/37/79/85/1367377985.db2.gz NYHSVNXHHOZNDI-QGZVFWFLSA-N 2 2 334.508 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@@H+](C)C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899421 1367377999 /nfs/dbraw/zinc/37/79/99/1367377999.db2.gz JUMVLOGEBATIFD-SJLPKXTDSA-N 2 2 348.535 3.142 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899421 1367378004 /nfs/dbraw/zinc/37/80/04/1367378004.db2.gz JUMVLOGEBATIFD-SJLPKXTDSA-N 2 2 348.535 3.142 20 0 EGADLP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900105 1367378633 /nfs/dbraw/zinc/37/86/33/1367378633.db2.gz NYHSVNXHHOZNDI-KRWDZBQOSA-N 2 2 334.508 3.040 20 0 EGADLP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900105 1367378639 /nfs/dbraw/zinc/37/86/39/1367378639.db2.gz NYHSVNXHHOZNDI-KRWDZBQOSA-N 2 2 334.508 3.040 20 0 EGADLP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932844 1367384342 /nfs/dbraw/zinc/38/43/42/1367384342.db2.gz DQEDBNSIMVCTKC-APHBUQMISA-N 2 2 326.444 3.066 20 0 EGADLP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932844 1367384349 /nfs/dbraw/zinc/38/43/49/1367384349.db2.gz DQEDBNSIMVCTKC-APHBUQMISA-N 2 2 326.444 3.066 20 0 EGADLP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699673 1367937942 /nfs/dbraw/zinc/93/79/42/1367937942.db2.gz ZPTRQWAMXNCDTO-AKHDSKFASA-N 2 2 344.503 3.158 20 0 EGADLP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699673 1367937944 /nfs/dbraw/zinc/93/79/44/1367937944.db2.gz ZPTRQWAMXNCDTO-AKHDSKFASA-N 2 2 344.503 3.158 20 0 EGADLP CN(C[C@H]1CC1(C)C)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198018850 1368943668 /nfs/dbraw/zinc/94/36/68/1368943668.db2.gz LOAOAKALFMELQN-LJQANCHMSA-N 2 2 345.531 3.188 20 0 EGADLP CN(C[C@H]1CC1(C)C)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198018850 1368943672 /nfs/dbraw/zinc/94/36/72/1368943672.db2.gz LOAOAKALFMELQN-LJQANCHMSA-N 2 2 345.531 3.188 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001198367963 1369016650 /nfs/dbraw/zinc/01/66/50/1369016650.db2.gz GEMXXHCCZKJQPU-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001198367963 1369016654 /nfs/dbraw/zinc/01/66/54/1369016654.db2.gz GEMXXHCCZKJQPU-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP CCc1cnc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC001200094812 1369315199 /nfs/dbraw/zinc/31/51/99/1369315199.db2.gz DUGMJTDSDMYESQ-KRWDZBQOSA-N 2 2 329.513 3.360 20 0 EGADLP CCc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC001200094812 1369315204 /nfs/dbraw/zinc/31/52/04/1369315204.db2.gz DUGMJTDSDMYESQ-KRWDZBQOSA-N 2 2 329.513 3.360 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001113439490 1369429661 /nfs/dbraw/zinc/42/96/61/1369429661.db2.gz CDUJAVIUURMANR-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001113439490 1369429665 /nfs/dbraw/zinc/42/96/65/1369429665.db2.gz CDUJAVIUURMANR-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP CC(C)CCC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182768 1369491810 /nfs/dbraw/zinc/49/18/10/1369491810.db2.gz MYWTXFHAUDXTOP-IBGZPJMESA-N 2 2 348.535 3.487 20 0 EGADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113572847 1369497522 /nfs/dbraw/zinc/49/75/22/1369497522.db2.gz QKBGZGXQIDFJGI-GOSISDBHSA-N 2 2 345.531 3.357 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113572847 1369497523 /nfs/dbraw/zinc/49/75/23/1369497523.db2.gz QKBGZGXQIDFJGI-GOSISDBHSA-N 2 2 345.531 3.357 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238057 1370035260 /nfs/dbraw/zinc/03/52/60/1370035260.db2.gz BDQOHZLCQSJMTE-IFOCYFHOSA-N 2 2 344.503 3.037 20 0 EGADLP CC(=O)Oc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001203948237 1370326312 /nfs/dbraw/zinc/32/63/12/1370326312.db2.gz JWKNMIMQWIACGC-UHFFFAOYSA-N 2 2 342.483 3.452 20 0 EGADLP CC(=O)Oc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001203948237 1370326319 /nfs/dbraw/zinc/32/63/19/1370326319.db2.gz JWKNMIMQWIACGC-UHFFFAOYSA-N 2 2 342.483 3.452 20 0 EGADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccsc2)CC3)cn1 ZINC001204036058 1370355734 /nfs/dbraw/zinc/35/57/34/1370355734.db2.gz KGYNWBWDRTXSGM-UHFFFAOYSA-N 2 2 330.501 3.112 20 0 EGADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccsc2)CC3)cn1 ZINC001204036058 1370355738 /nfs/dbraw/zinc/35/57/38/1370355738.db2.gz KGYNWBWDRTXSGM-UHFFFAOYSA-N 2 2 330.501 3.112 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204088601 1370373265 /nfs/dbraw/zinc/37/32/65/1370373265.db2.gz RIQAZCSVFDXPJM-LJQANCHMSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204088601 1370373275 /nfs/dbraw/zinc/37/32/75/1370373275.db2.gz RIQAZCSVFDXPJM-LJQANCHMSA-N 2 2 339.483 3.310 20 0 EGADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)ccc1O ZINC001204113200 1370380479 /nfs/dbraw/zinc/38/04/79/1370380479.db2.gz WLPVSJOEHOJHTI-HZPDHXFCSA-N 2 2 344.480 3.026 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001204317419 1370441836 /nfs/dbraw/zinc/44/18/36/1370441836.db2.gz UWCKDNDFRZSLRS-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001204317419 1370441838 /nfs/dbraw/zinc/44/18/38/1370441838.db2.gz UWCKDNDFRZSLRS-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001204317419 1370441839 /nfs/dbraw/zinc/44/18/39/1370441839.db2.gz UWCKDNDFRZSLRS-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c2ccccc21 ZINC001204317419 1370441840 /nfs/dbraw/zinc/44/18/40/1370441840.db2.gz UWCKDNDFRZSLRS-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001204945600 1370612137 /nfs/dbraw/zinc/61/21/37/1370612137.db2.gz HOVYXLSFLNPWNA-INIZCTEOSA-N 2 2 334.261 3.311 20 0 EGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001204945600 1370612139 /nfs/dbraw/zinc/61/21/39/1370612139.db2.gz HOVYXLSFLNPWNA-INIZCTEOSA-N 2 2 334.261 3.311 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115656013 1370642298 /nfs/dbraw/zinc/64/22/98/1370642298.db2.gz XHJLLGNCNQLJOR-SFHVURJKSA-N 2 2 348.535 3.364 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115655997 1370642346 /nfs/dbraw/zinc/64/23/46/1370642346.db2.gz WRPKMGGNROIMPA-UHFFFAOYSA-N 2 2 344.503 3.182 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)c(Cl)c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117492 1370656088 /nfs/dbraw/zinc/65/60/88/1370656088.db2.gz PHXHITSVOVZPNR-OAHLLOKOSA-N 2 2 332.879 3.456 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)c(Cl)c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117492 1370656092 /nfs/dbraw/zinc/65/60/92/1370656092.db2.gz PHXHITSVOVZPNR-OAHLLOKOSA-N 2 2 332.879 3.456 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc3cccc(Br)c3n2)C[C@H]1C[NH3+] ZINC001205150377 1370663473 /nfs/dbraw/zinc/66/34/73/1370663473.db2.gz AOJWPGSFBGTHMP-WCQYABFASA-N 2 2 334.261 3.024 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc3cccc(Br)c3n2)C[C@H]1C[NH3+] ZINC001205150377 1370663470 /nfs/dbraw/zinc/66/34/70/1370663470.db2.gz AOJWPGSFBGTHMP-WCQYABFASA-N 2 2 334.261 3.024 20 0 EGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC001205296655 1370711571 /nfs/dbraw/zinc/71/15/71/1370711571.db2.gz SBKADJJJMWDKHK-OAHLLOKOSA-N 2 2 337.265 3.029 20 0 EGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC001205296655 1370711574 /nfs/dbraw/zinc/71/15/74/1370711574.db2.gz SBKADJJJMWDKHK-OAHLLOKOSA-N 2 2 337.265 3.029 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001205623964 1370814972 /nfs/dbraw/zinc/81/49/72/1370814972.db2.gz MLXSJVDJFPCRCO-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001205623964 1370814977 /nfs/dbraw/zinc/81/49/77/1370814977.db2.gz MLXSJVDJFPCRCO-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001205623964 1370814981 /nfs/dbraw/zinc/81/49/81/1370814981.db2.gz MLXSJVDJFPCRCO-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001205623964 1370814988 /nfs/dbraw/zinc/81/49/88/1370814988.db2.gz MLXSJVDJFPCRCO-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP COc1cc(Br)cc(F)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506753 1371076437 /nfs/dbraw/zinc/07/64/37/1371076437.db2.gz ODUWNUJGAVKRSL-UHFFFAOYSA-N 2 2 345.256 3.158 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC001206526594 1371084152 /nfs/dbraw/zinc/08/41/52/1371084152.db2.gz SRYBQABHCSBLER-OAHLLOKOSA-N 2 2 326.440 3.214 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001206638947 1371115141 /nfs/dbraw/zinc/11/51/41/1371115141.db2.gz AAIOKGBRAFMCSY-LBPRGKRZSA-N 2 2 336.277 3.491 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001206638947 1371115143 /nfs/dbraw/zinc/11/51/43/1371115143.db2.gz AAIOKGBRAFMCSY-LBPRGKRZSA-N 2 2 336.277 3.491 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206769031 1371158801 /nfs/dbraw/zinc/15/88/01/1371158801.db2.gz MQOWIXHJQHFGKH-DGCLKSJQSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206769031 1371158803 /nfs/dbraw/zinc/15/88/03/1371158803.db2.gz MQOWIXHJQHFGKH-DGCLKSJQSA-N 2 2 327.266 3.017 20 0 EGADLP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207316786 1371359834 /nfs/dbraw/zinc/35/98/34/1371359834.db2.gz BYIHDOVLKKCDFE-QGZVFWFLSA-N 2 2 348.491 3.310 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207453290 1371399411 /nfs/dbraw/zinc/39/94/11/1371399411.db2.gz HGWOTXYWGXQRLW-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207453290 1371399417 /nfs/dbraw/zinc/39/94/17/1371399417.db2.gz HGWOTXYWGXQRLW-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207453290 1371399421 /nfs/dbraw/zinc/39/94/21/1371399421.db2.gz HGWOTXYWGXQRLW-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207453290 1371399426 /nfs/dbraw/zinc/39/94/26/1371399426.db2.gz HGWOTXYWGXQRLW-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C[C@H]2CCCOC2)CC3)cs1 ZINC001207463991 1371402717 /nfs/dbraw/zinc/40/27/17/1371402717.db2.gz MAFVDUXZYONOEF-QGZVFWFLSA-N 2 2 349.544 3.309 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C[C@H]2CCCOC2)CC3)cs1 ZINC001207463991 1371402721 /nfs/dbraw/zinc/40/27/21/1371402721.db2.gz MAFVDUXZYONOEF-QGZVFWFLSA-N 2 2 349.544 3.309 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](C[C@@H]2CCCOC2)CC3)cs1 ZINC001207463990 1371402758 /nfs/dbraw/zinc/40/27/58/1371402758.db2.gz MAFVDUXZYONOEF-KRWDZBQOSA-N 2 2 349.544 3.309 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](C[C@@H]2CCCOC2)CC3)cs1 ZINC001207463990 1371402761 /nfs/dbraw/zinc/40/27/61/1371402761.db2.gz MAFVDUXZYONOEF-KRWDZBQOSA-N 2 2 349.544 3.309 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC2)c1 ZINC001207683322 1371473649 /nfs/dbraw/zinc/47/36/49/1371473649.db2.gz PYWNGAUIWICURI-QGZVFWFLSA-N 2 2 349.519 3.180 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365616 1371549908 /nfs/dbraw/zinc/54/99/08/1371549908.db2.gz UKWLQRUBVHQPHK-ZWKOTPCHSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365616 1371549909 /nfs/dbraw/zinc/54/99/09/1371549909.db2.gz UKWLQRUBVHQPHK-ZWKOTPCHSA-N 2 2 346.519 3.236 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164195 1371614028 /nfs/dbraw/zinc/61/40/28/1371614028.db2.gz ZCVXUVLLVUWLLO-CVEARBPZSA-N 2 2 326.444 3.270 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164195 1371614036 /nfs/dbraw/zinc/61/40/36/1371614036.db2.gz ZCVXUVLLVUWLLO-CVEARBPZSA-N 2 2 326.444 3.270 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168499 1371615811 /nfs/dbraw/zinc/61/58/11/1371615811.db2.gz HYOJNHPXTSJHRA-ZGXWSNOMSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168499 1371615812 /nfs/dbraw/zinc/61/58/12/1371615812.db2.gz HYOJNHPXTSJHRA-ZGXWSNOMSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168499 1371615818 /nfs/dbraw/zinc/61/58/18/1371615818.db2.gz HYOJNHPXTSJHRA-ZGXWSNOMSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168499 1371615824 /nfs/dbraw/zinc/61/58/24/1371615824.db2.gz HYOJNHPXTSJHRA-ZGXWSNOMSA-N 2 2 325.500 3.438 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C[C@@H](C)C(F)(F)F)CC2 ZINC001208886631 1371932031 /nfs/dbraw/zinc/93/20/31/1371932031.db2.gz DLLBYEYTUOWYDF-GFCCVEGCSA-N 2 2 332.414 3.082 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@@H](C)C(F)(F)F)CC2 ZINC001208886631 1371932034 /nfs/dbraw/zinc/93/20/34/1371932034.db2.gz DLLBYEYTUOWYDF-GFCCVEGCSA-N 2 2 332.414 3.082 20 0 EGADLP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208937079 1371955357 /nfs/dbraw/zinc/95/53/57/1371955357.db2.gz RABPATGYDILWNF-FQEVSTJZSA-N 3 2 329.532 3.315 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208937079 1371955359 /nfs/dbraw/zinc/95/53/59/1371955359.db2.gz RABPATGYDILWNF-FQEVSTJZSA-N 3 2 329.532 3.315 20 0 EGADLP CC[NH+]1CCC([NH+](C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937079 1371955362 /nfs/dbraw/zinc/95/53/62/1371955362.db2.gz RABPATGYDILWNF-FQEVSTJZSA-N 3 2 329.532 3.315 20 0 EGADLP CC[NH+]1CCC([NH+](C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937079 1371955365 /nfs/dbraw/zinc/95/53/65/1371955365.db2.gz RABPATGYDILWNF-FQEVSTJZSA-N 3 2 329.532 3.315 20 0 EGADLP C[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209148277 1372015190 /nfs/dbraw/zinc/01/51/90/1372015190.db2.gz FJASSBHDQHRKOL-UHFFFAOYSA-N 2 2 333.435 3.482 20 0 EGADLP C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209148277 1372015192 /nfs/dbraw/zinc/01/51/92/1372015192.db2.gz FJASSBHDQHRKOL-UHFFFAOYSA-N 2 2 333.435 3.482 20 0 EGADLP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121895691 1372116858 /nfs/dbraw/zinc/11/68/58/1372116858.db2.gz GZRXSMJWLNDINP-YDAHYDFVSA-N 2 2 346.519 3.042 20 0 EGADLP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121895691 1372116864 /nfs/dbraw/zinc/11/68/64/1372116864.db2.gz GZRXSMJWLNDINP-YDAHYDFVSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897351 1372117679 /nfs/dbraw/zinc/11/76/79/1372117679.db2.gz ZKSBHKTYIGZHRF-IRRXANFSSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897351 1372117681 /nfs/dbraw/zinc/11/76/81/1372117681.db2.gz ZKSBHKTYIGZHRF-IRRXANFSSA-N 2 2 346.519 3.042 20 0 EGADLP CC[NH+](CC)CCOC(=O)c1ccc(Nc2c[nH+]c(C)c(N)c2)cc1 ZINC001210290548 1372315216 /nfs/dbraw/zinc/31/52/16/1372315216.db2.gz NWSYGCNNDCSMCD-UHFFFAOYSA-N 2 2 342.443 3.214 20 0 EGADLP CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001214916545 1373141726 /nfs/dbraw/zinc/14/17/26/1373141726.db2.gz FTAYANFWDLNDHH-KURKYZTESA-N 2 2 348.535 3.343 20 0 EGADLP Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)c(N(C)C)[nH+]1 ZINC001216090517 1373260904 /nfs/dbraw/zinc/26/09/04/1373260904.db2.gz RVLKMFGFXUYELS-RHSMWYFYSA-N 2 2 347.507 3.040 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4ccc5c[nH+]cn5c4)n3)cc2)c[nH+]1 ZINC001217344606 1373428601 /nfs/dbraw/zinc/42/86/01/1373428601.db2.gz FDYXLOCFGKSQNA-UHFFFAOYSA-N 2 2 328.335 3.237 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@H](C)c2cc(C)ccc2C)c[nH+]1 ZINC001130166550 1373467920 /nfs/dbraw/zinc/46/79/20/1373467920.db2.gz HJRJXJFBWBZTFA-QGZVFWFLSA-N 2 2 342.487 3.010 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001130269128 1373482005 /nfs/dbraw/zinc/48/20/05/1373482005.db2.gz ZZXNFIPBXVBLOC-LSDHHAIUSA-N 2 2 328.460 3.099 20 0 EGADLP Cc1cc(Cl)ccc1-c1nnc([C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001217707325 1373491546 /nfs/dbraw/zinc/49/15/46/1373491546.db2.gz ZUWBPJQNCCBBPU-CQSZACIVSA-N 2 2 332.835 3.245 20 0 EGADLP C[NH2+][C@H]1C[C@@H](Oc2cccc(C(=O)C[N@H+](C)Cc3ccccc3)c2)C1 ZINC001217956432 1373519363 /nfs/dbraw/zinc/51/93/63/1373519363.db2.gz ZGDFJUDOXWSWBY-PUZFROQSSA-N 2 2 338.451 3.131 20 0 EGADLP C[NH2+][C@H]1C[C@@H](Oc2cccc(C(=O)C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC001217956432 1373519365 /nfs/dbraw/zinc/51/93/65/1373519365.db2.gz ZGDFJUDOXWSWBY-PUZFROQSSA-N 2 2 338.451 3.131 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2c(Cl)ccc3ncccc32)cc1 ZINC001218906970 1373666333 /nfs/dbraw/zinc/66/63/33/1373666333.db2.gz SGRINSQMGSFFBG-HNNXBMFYSA-N 2 2 340.814 3.099 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC001219003226 1373677700 /nfs/dbraw/zinc/67/77/00/1373677700.db2.gz AGNVCMSJEPHSRL-GOSISDBHSA-N 2 2 331.419 3.149 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc(Cl)cc2C)c(C)[nH+]1 ZINC001131560175 1373720406 /nfs/dbraw/zinc/72/04/06/1373720406.db2.gz AOCGQJPJBCBKHM-UHFFFAOYSA-N 2 2 345.874 3.488 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc(C(F)F)cc2)c(C)[nH+]1 ZINC001131560662 1373721187 /nfs/dbraw/zinc/72/11/87/1373721187.db2.gz YEJPIKONVBRCBR-UHFFFAOYSA-N 2 2 347.409 3.464 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccccc2C2CC2)c(C)[nH+]1 ZINC001131560654 1373721896 /nfs/dbraw/zinc/72/18/96/1373721896.db2.gz XOWNYEPEKOLPAN-UHFFFAOYSA-N 2 2 337.467 3.404 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001131562752 1373721971 /nfs/dbraw/zinc/72/19/71/1373721971.db2.gz ILXQERNCILNGHB-SFHVURJKSA-N 2 2 325.456 3.478 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024888 1375104390 /nfs/dbraw/zinc/10/43/90/1375104390.db2.gz JPAFASGLPWKJRK-AEFFLSMTSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024888 1375104392 /nfs/dbraw/zinc/10/43/92/1375104392.db2.gz JPAFASGLPWKJRK-AEFFLSMTSA-N 2 2 344.503 3.202 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]C/C=C/Cl)ccn12 ZINC001226251271 1375227333 /nfs/dbraw/zinc/22/73/33/1375227333.db2.gz NZMPAGPYXAVFHL-DUIXZTDISA-N 2 2 346.862 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]CC[C@H](C)F)ccn12 ZINC001226251620 1375227542 /nfs/dbraw/zinc/22/75/42/1375227542.db2.gz VRXQBSNIQATPQB-IAOVAPTHSA-N 2 2 346.450 3.021 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226964919 1375373617 /nfs/dbraw/zinc/37/36/17/1375373617.db2.gz MUNUNMBRXBMELU-GUDVDZBRSA-N 2 2 346.519 3.454 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132999057 1375704029 /nfs/dbraw/zinc/70/40/29/1375704029.db2.gz WIHIRIQGGNPEQJ-ZWKOTPCHSA-N 2 2 348.535 3.007 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229384632 1375824846 /nfs/dbraw/zinc/82/48/46/1375824846.db2.gz HTTBECWFJKPUNV-IRXDYDNUSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133240841 1375861385 /nfs/dbraw/zinc/86/13/85/1375861385.db2.gz AXCKBIPHPZUIMB-IAGOWNOFSA-N 2 2 348.535 3.342 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)c1 ZINC001232013089 1376381052 /nfs/dbraw/zinc/38/10/52/1376381052.db2.gz XTARYKCCIPMIMV-HOTGVXAUSA-N 3 2 338.480 3.188 20 0 EGADLP CC(C)OCc1ncn2c1C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CCC2 ZINC001232014425 1376384148 /nfs/dbraw/zinc/38/41/48/1376384148.db2.gz HQPOHLMJZBWZNH-UHFFFAOYSA-N 2 2 339.443 3.090 20 0 EGADLP CC(C)OCc1ncn2c1C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CCC2 ZINC001232014425 1376384151 /nfs/dbraw/zinc/38/41/51/1376384151.db2.gz HQPOHLMJZBWZNH-UHFFFAOYSA-N 2 2 339.443 3.090 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)c(C)n2)CC1 ZINC001232665304 1376496150 /nfs/dbraw/zinc/49/61/50/1376496150.db2.gz CXXAYLJAQBUKSA-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)c(C)n2)CC1 ZINC001232665304 1376496151 /nfs/dbraw/zinc/49/61/51/1376496151.db2.gz CXXAYLJAQBUKSA-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP COC(=O)c1cccc2c(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c[nH]c21 ZINC001232711829 1376508301 /nfs/dbraw/zinc/50/83/01/1376508301.db2.gz WMLNMDPUZURGAD-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP COC(=O)c1cccc2c(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c[nH]c21 ZINC001232711829 1376508307 /nfs/dbraw/zinc/50/83/07/1376508307.db2.gz WMLNMDPUZURGAD-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403458 1376512892 /nfs/dbraw/zinc/51/28/92/1376512892.db2.gz NLRPIQPCFBRLMR-JKSUJKDBSA-N 2 2 348.535 3.071 20 0 EGADLP CC(C)(O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001232829178 1376519868 /nfs/dbraw/zinc/51/98/68/1376519868.db2.gz JWRKKKFFWVFKGW-GOSISDBHSA-N 2 2 331.504 3.149 20 0 EGADLP CC(C)(O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC001232829178 1376519881 /nfs/dbraw/zinc/51/98/81/1376519881.db2.gz JWRKKKFFWVFKGW-GOSISDBHSA-N 2 2 331.504 3.149 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001134499222 1376570640 /nfs/dbraw/zinc/57/06/40/1376570640.db2.gz YRPXYZCYCXLSOS-IAGOWNOFSA-N 2 2 342.487 3.425 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001134544248 1376583814 /nfs/dbraw/zinc/58/38/14/1376583814.db2.gz FBHSTSJXQBXNQV-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001134544248 1376583821 /nfs/dbraw/zinc/58/38/21/1376583821.db2.gz FBHSTSJXQBXNQV-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313468 1376611220 /nfs/dbraw/zinc/61/12/20/1376611220.db2.gz XKBBTLSHNVAGSL-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313468 1376611223 /nfs/dbraw/zinc/61/12/23/1376611223.db2.gz XKBBTLSHNVAGSL-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313468 1376611225 /nfs/dbraw/zinc/61/12/25/1376611225.db2.gz XKBBTLSHNVAGSL-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313468 1376611228 /nfs/dbraw/zinc/61/12/28/1376611228.db2.gz XKBBTLSHNVAGSL-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)[nH+]1 ZINC001233363934 1376629742 /nfs/dbraw/zinc/62/97/42/1376629742.db2.gz HNADOFZDGKJVKS-WOJBJXKFSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)[nH+]1 ZINC001233363934 1376629744 /nfs/dbraw/zinc/62/97/44/1376629744.db2.gz HNADOFZDGKJVKS-WOJBJXKFSA-N 2 2 346.478 3.288 20 0 EGADLP Clc1cncc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001233450172 1376649036 /nfs/dbraw/zinc/64/90/36/1376649036.db2.gz JJLVBFCGRRRBQA-UHFFFAOYSA-N 2 2 342.874 3.228 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313798 1376803943 /nfs/dbraw/zinc/80/39/43/1376803943.db2.gz LASRIKOIIXPZGP-DUMMIQTOSA-N 2 2 340.471 3.145 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313798 1376803949 /nfs/dbraw/zinc/80/39/49/1376803949.db2.gz LASRIKOIIXPZGP-DUMMIQTOSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCC(C)C)c(C)[nH+]1 ZINC001135044506 1376865374 /nfs/dbraw/zinc/86/53/74/1376865374.db2.gz VJFLUSXGTPYLED-RDJZCZTQSA-N 2 2 349.519 3.166 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135056424 1376871521 /nfs/dbraw/zinc/87/15/21/1376871521.db2.gz MHRZPIXORNMKKT-IRXDYDNUSA-N 2 2 348.535 3.196 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633824 1376880843 /nfs/dbraw/zinc/88/08/43/1376880843.db2.gz QSEKLSDGIOKRSS-ZWKOTPCHSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633824 1376880848 /nfs/dbraw/zinc/88/08/48/1376880848.db2.gz QSEKLSDGIOKRSS-ZWKOTPCHSA-N 2 2 348.535 3.439 20 0 EGADLP [NH3+][C@H](CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001235887905 1376911722 /nfs/dbraw/zinc/91/17/22/1376911722.db2.gz JQBISPQXZQQDIP-LJQANCHMSA-N 2 2 329.875 3.158 20 0 EGADLP [NH3+]CCN(Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236528187 1376956731 /nfs/dbraw/zinc/95/67/31/1376956731.db2.gz PVZVMGIKZOOFDC-UHFFFAOYSA-N 2 2 340.858 3.487 20 0 EGADLP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)c(F)c1 ZINC001237140913 1376976596 /nfs/dbraw/zinc/97/65/96/1376976596.db2.gz CJLWOXVXMWUHRQ-HXUWFJFHSA-N 2 2 344.405 3.196 20 0 EGADLP Fc1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)c(F)c1 ZINC001237140913 1376976604 /nfs/dbraw/zinc/97/66/04/1376976604.db2.gz CJLWOXVXMWUHRQ-HXUWFJFHSA-N 2 2 344.405 3.196 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2C)CC1 ZINC001237709832 1376983939 /nfs/dbraw/zinc/98/39/39/1376983939.db2.gz JSYBFFFCCWPSKC-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2C)CC1 ZINC001237709832 1376983942 /nfs/dbraw/zinc/98/39/42/1376983942.db2.gz JSYBFFFCCWPSKC-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP COc1ccc2cc(CC[C@H](C)[NH2+][C@H](C)[C@@H]3C[NH2+]CCO3)ccc2c1 ZINC001246292605 1377051218 /nfs/dbraw/zinc/05/12/18/1377051218.db2.gz KQXAURHIYISLTQ-MRUHUIDDSA-N 2 2 342.483 3.136 20 0 EGADLP Cc1cccn2cc(CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C)[nH+]c12 ZINC001135680323 1377182010 /nfs/dbraw/zinc/18/20/10/1377182010.db2.gz UPNOOBVLSNQTAI-IAGOWNOFSA-N 2 2 344.503 3.104 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[NH+](C)C)cc1 ZINC001135926537 1377265059 /nfs/dbraw/zinc/26/50/59/1377265059.db2.gz LMRAIXNIOIMUGD-LJQANCHMSA-N 2 2 336.439 3.158 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001136032040 1377305778 /nfs/dbraw/zinc/30/57/78/1377305778.db2.gz VENKVGYUHBXPRN-HUUCEWRRSA-N 2 2 332.492 3.024 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001266492549 1377321198 /nfs/dbraw/zinc/32/11/98/1377321198.db2.gz QYYGPJIIPVITRF-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001266492549 1377321201 /nfs/dbraw/zinc/32/12/01/1377321201.db2.gz QYYGPJIIPVITRF-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Clc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001136928309 1377441703 /nfs/dbraw/zinc/44/17/03/1377441703.db2.gz JSBCOBWDGFQBJV-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001136928309 1377441704 /nfs/dbraw/zinc/44/17/04/1377441704.db2.gz JSBCOBWDGFQBJV-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001136928309 1377441705 /nfs/dbraw/zinc/44/17/05/1377441705.db2.gz JSBCOBWDGFQBJV-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)nc1 ZINC001136928309 1377441706 /nfs/dbraw/zinc/44/17/06/1377441706.db2.gz JSBCOBWDGFQBJV-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@H]3C2)cc1 ZINC001137044215 1377465266 /nfs/dbraw/zinc/46/52/66/1377465266.db2.gz RUKSXRQBZRIFLN-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@H]3C2)cc1 ZINC001137044215 1377465267 /nfs/dbraw/zinc/46/52/67/1377465267.db2.gz RUKSXRQBZRIFLN-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)nc1 ZINC001137175119 1377490836 /nfs/dbraw/zinc/49/08/36/1377490836.db2.gz RDYVYMUVKMAPBB-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(F)c1OC ZINC001137510697 1377559326 /nfs/dbraw/zinc/55/93/26/1377559326.db2.gz HTBQEBRAODCRNG-OAHLLOKOSA-N 2 2 346.402 3.200 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(F)c1OC ZINC001137510697 1377559329 /nfs/dbraw/zinc/55/93/29/1377559329.db2.gz HTBQEBRAODCRNG-OAHLLOKOSA-N 2 2 346.402 3.200 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC001138113470 1377678960 /nfs/dbraw/zinc/67/89/60/1377678960.db2.gz CBQBGKQEWJRWHT-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP CN(C)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138488508 1377731718 /nfs/dbraw/zinc/73/17/18/1377731718.db2.gz SUYMRQOOPXPJMX-GJZGRUSLSA-N 2 2 347.553 3.439 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577044 1377745838 /nfs/dbraw/zinc/74/58/38/1377745838.db2.gz MENUBAJWGRLYRO-HXUWFJFHSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577044 1377745841 /nfs/dbraw/zinc/74/58/41/1377745841.db2.gz MENUBAJWGRLYRO-HXUWFJFHSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577044 1377745844 /nfs/dbraw/zinc/74/58/44/1377745844.db2.gz MENUBAJWGRLYRO-HXUWFJFHSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)C1 ZINC001138577044 1377745846 /nfs/dbraw/zinc/74/58/46/1377745846.db2.gz MENUBAJWGRLYRO-HXUWFJFHSA-N 2 2 348.535 3.030 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138634801 1377758513 /nfs/dbraw/zinc/75/85/13/1377758513.db2.gz HXONWVQOCWATQX-ROUUACIJSA-N 2 2 344.528 3.227 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cccnc3F)CC2)c2ccccc2[nH+]1 ZINC001138782576 1377784271 /nfs/dbraw/zinc/78/42/71/1377784271.db2.gz AEYTYUKZAFMFST-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP CCCOc1ccccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001138999216 1377816392 /nfs/dbraw/zinc/81/63/92/1377816392.db2.gz VLMFAEGPQQVXDQ-UHFFFAOYSA-N 2 2 331.460 3.105 20 0 EGADLP CCCn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC001139038584 1377820952 /nfs/dbraw/zinc/82/09/52/1377820952.db2.gz FUJKLULXWHAOKW-SFTDATJTSA-N 2 2 338.499 3.165 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@H]3C2)nc1 ZINC001139171341 1377843256 /nfs/dbraw/zinc/84/32/56/1377843256.db2.gz SXJXBOPYCPMXBK-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1ccc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)s2)cc1C ZINC001139325745 1377868869 /nfs/dbraw/zinc/86/88/69/1377868869.db2.gz YLIQXGLDLAKZMM-UHFFFAOYSA-N 2 2 344.528 3.144 20 0 EGADLP Cc1ccc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)s2)cc1C ZINC001139325745 1377868870 /nfs/dbraw/zinc/86/88/70/1377868870.db2.gz YLIQXGLDLAKZMM-UHFFFAOYSA-N 2 2 344.528 3.144 20 0 EGADLP Cc1cc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC001139364225 1377874576 /nfs/dbraw/zinc/87/45/76/1377874576.db2.gz PMSIANHKYJCYAC-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC001139364225 1377874577 /nfs/dbraw/zinc/87/45/77/1377874577.db2.gz PMSIANHKYJCYAC-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139469294 1377889850 /nfs/dbraw/zinc/88/98/50/1377889850.db2.gz OXZFHLGRAFVCQQ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139469294 1377889855 /nfs/dbraw/zinc/88/98/55/1377889855.db2.gz OXZFHLGRAFVCQQ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139541704 1377901068 /nfs/dbraw/zinc/90/10/68/1377901068.db2.gz VJBJSYFWUNYUGW-UHFFFAOYSA-N 2 2 337.349 3.300 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139541704 1377901069 /nfs/dbraw/zinc/90/10/69/1377901069.db2.gz VJBJSYFWUNYUGW-UHFFFAOYSA-N 2 2 337.349 3.300 20 0 EGADLP CCOc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1CC ZINC001139623364 1377920364 /nfs/dbraw/zinc/92/03/64/1377920364.db2.gz GJDAMAUVMKVCMZ-UHFFFAOYSA-N 2 2 334.504 3.190 20 0 EGADLP CCOc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1CC ZINC001139623364 1377920365 /nfs/dbraw/zinc/92/03/65/1377920365.db2.gz GJDAMAUVMKVCMZ-UHFFFAOYSA-N 2 2 334.504 3.190 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001140020923 1377991363 /nfs/dbraw/zinc/99/13/63/1377991363.db2.gz DNWZZRIIJLXYHH-GOSISDBHSA-N 2 2 325.456 3.165 20 0 EGADLP CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026165 1377991828 /nfs/dbraw/zinc/99/18/28/1377991828.db2.gz IAWQDYABXCRPHL-GOSISDBHSA-N 2 2 341.455 3.346 20 0 EGADLP CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026165 1377991829 /nfs/dbraw/zinc/99/18/29/1377991829.db2.gz IAWQDYABXCRPHL-GOSISDBHSA-N 2 2 341.455 3.346 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(F)c1 ZINC001140214677 1378033384 /nfs/dbraw/zinc/03/33/84/1378033384.db2.gz RGZXHKLBMKUXIJ-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(F)c1 ZINC001140214677 1378033386 /nfs/dbraw/zinc/03/33/86/1378033386.db2.gz RGZXHKLBMKUXIJ-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001140694908 1378116034 /nfs/dbraw/zinc/11/60/34/1378116034.db2.gz IVYFCUDXBRGMGN-UHFFFAOYSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)[nH]1 ZINC001140694908 1378116036 /nfs/dbraw/zinc/11/60/36/1378116036.db2.gz IVYFCUDXBRGMGN-UHFFFAOYSA-N 2 2 333.476 3.030 20 0 EGADLP CCOc1ccccc1N1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802155 1378141147 /nfs/dbraw/zinc/14/11/47/1378141147.db2.gz PAKUPRZPNOJLEH-UHFFFAOYSA-N 2 2 336.439 3.284 20 0 EGADLP c1cc2c(cc1C[NH+]1CCC3(CCC[N@H+]3CC3CC3)CC1)OCCO2 ZINC001141036790 1378215623 /nfs/dbraw/zinc/21/56/23/1378215623.db2.gz AVSAXTADZCKPRS-UHFFFAOYSA-N 2 2 342.483 3.298 20 0 EGADLP c1cc2c(cc1C[NH+]1CCC3(CCC[N@@H+]3CC3CC3)CC1)OCCO2 ZINC001141036790 1378215627 /nfs/dbraw/zinc/21/56/27/1378215627.db2.gz AVSAXTADZCKPRS-UHFFFAOYSA-N 2 2 342.483 3.298 20 0 EGADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccc2c(c1)OCCO2 ZINC001141237997 1378279697 /nfs/dbraw/zinc/27/96/97/1378279697.db2.gz DRPCVMZTLKSDJI-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)Cc1ccc2c(c1)OCCO2 ZINC001141237997 1378279702 /nfs/dbraw/zinc/27/97/02/1378279702.db2.gz DRPCVMZTLKSDJI-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP F[C@H]1CN(Cc2cccc(-n3cc[nH+]c3)c2)CC[C@H]1[NH+]1CCCCC1 ZINC001141246010 1378283028 /nfs/dbraw/zinc/28/30/28/1378283028.db2.gz UVYGODRKGHQYRZ-VQTJNVASSA-N 2 2 342.462 3.271 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cnc(C(F)(F)F)nc2)C2CCCC2)CC1 ZINC001141471029 1378329881 /nfs/dbraw/zinc/32/98/81/1378329881.db2.gz XZKSBYKBNNSZSG-UHFFFAOYSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cnc(C(F)(F)F)nc2)C2CCCC2)CC1 ZINC001141471029 1378329885 /nfs/dbraw/zinc/32/98/85/1378329885.db2.gz XZKSBYKBNNSZSG-UHFFFAOYSA-N 2 2 342.409 3.334 20 0 EGADLP CCCc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC001142367006 1378437301 /nfs/dbraw/zinc/43/73/01/1378437301.db2.gz BFIIAESELZFWTA-UHFFFAOYSA-N 2 2 325.456 3.365 20 0 EGADLP CC[N@H+](CC(C)C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001281833582 1378455306 /nfs/dbraw/zinc/45/53/06/1378455306.db2.gz OPHYBEVMCILMCK-UHFFFAOYSA-N 2 2 342.487 3.393 20 0 EGADLP CC[N@@H+](CC(C)C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001281833582 1378455311 /nfs/dbraw/zinc/45/53/11/1378455311.db2.gz OPHYBEVMCILMCK-UHFFFAOYSA-N 2 2 342.487 3.393 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ncc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001142543217 1378456573 /nfs/dbraw/zinc/45/65/73/1378456573.db2.gz JBUOEEGMGICIGY-MNOVXSKESA-N 2 2 333.785 3.137 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ncc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001142543217 1378456577 /nfs/dbraw/zinc/45/65/77/1378456577.db2.gz JBUOEEGMGICIGY-MNOVXSKESA-N 2 2 333.785 3.137 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ncc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001142543217 1378456579 /nfs/dbraw/zinc/45/65/79/1378456579.db2.gz JBUOEEGMGICIGY-MNOVXSKESA-N 2 2 333.785 3.137 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ncc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC001142543217 1378456580 /nfs/dbraw/zinc/45/65/80/1378456580.db2.gz JBUOEEGMGICIGY-MNOVXSKESA-N 2 2 333.785 3.137 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@H]3C2)c1 ZINC001142676691 1378474917 /nfs/dbraw/zinc/47/49/17/1378474917.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@H]3C2)c1 ZINC001142676691 1378474918 /nfs/dbraw/zinc/47/49/18/1378474918.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5[nH]cnc54)C[C@H]3C2)c1 ZINC001142676691 1378474919 /nfs/dbraw/zinc/47/49/19/1378474919.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5[nH]cnc54)C[C@H]3C2)c1 ZINC001142676691 1378474920 /nfs/dbraw/zinc/47/49/20/1378474920.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@H]3C2)c1 ZINC001142676691 1378474921 /nfs/dbraw/zinc/47/49/21/1378474921.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@H]3C2)c1 ZINC001142676691 1378474922 /nfs/dbraw/zinc/47/49/22/1378474922.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5nc[nH]c54)C[C@H]3C2)c1 ZINC001142676691 1378474923 /nfs/dbraw/zinc/47/49/23/1378474923.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5nc[nH]c54)C[C@H]3C2)c1 ZINC001142676691 1378474924 /nfs/dbraw/zinc/47/49/24/1378474924.db2.gz NRIHHVXAZRGHPZ-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143519695 1378608699 /nfs/dbraw/zinc/60/86/99/1378608699.db2.gz SDAYEMBTJHWGAT-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001143519695 1378608701 /nfs/dbraw/zinc/60/87/01/1378608701.db2.gz SDAYEMBTJHWGAT-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001143584842 1378620973 /nfs/dbraw/zinc/62/09/73/1378620973.db2.gz ABGORLKJDKCEBR-OALUTQOASA-N 2 2 325.431 3.093 20 0 EGADLP C[NH+]1CCC(C2CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)CC1 ZINC001144199797 1378697227 /nfs/dbraw/zinc/69/72/27/1378697227.db2.gz SZJQTTCRWKEVJA-UHFFFAOYSA-N 2 2 330.451 3.256 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(-n4cccc4)cc3)CC2)nc(C)[nH+]1 ZINC001144246840 1378704704 /nfs/dbraw/zinc/70/47/04/1378704704.db2.gz HTRQMPSLNJNJLQ-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066640 1380196708 /nfs/dbraw/zinc/19/67/08/1380196708.db2.gz SXNFSPKCZLHZBU-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066640 1380196713 /nfs/dbraw/zinc/19/67/13/1380196713.db2.gz SXNFSPKCZLHZBU-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154078217 1380199815 /nfs/dbraw/zinc/19/98/15/1380199815.db2.gz GYGYOKDGDMQRMC-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154078217 1380199817 /nfs/dbraw/zinc/19/98/17/1380199817.db2.gz GYGYOKDGDMQRMC-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154537394 1380301510 /nfs/dbraw/zinc/30/15/10/1380301510.db2.gz VNOXBLAQVZVHTP-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154537394 1380301518 /nfs/dbraw/zinc/30/15/18/1380301518.db2.gz VNOXBLAQVZVHTP-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP COc1ccc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)nc1Cl ZINC001155057380 1380399775 /nfs/dbraw/zinc/39/97/75/1380399775.db2.gz FXULSYQCDPHENL-UHFFFAOYSA-N 2 2 342.777 3.005 20 0 EGADLP Fc1cccc(Oc2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)n2)c1 ZINC001155064034 1380401456 /nfs/dbraw/zinc/40/14/56/1380401456.db2.gz LUAQTEVHNCPDOS-UHFFFAOYSA-N 2 2 339.374 3.061 20 0 EGADLP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520853 1380463622 /nfs/dbraw/zinc/46/36/22/1380463622.db2.gz DQZXKXYFXJGMFR-DLBZAZTESA-N 2 2 332.492 3.161 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520853 1380463623 /nfs/dbraw/zinc/46/36/23/1380463623.db2.gz DQZXKXYFXJGMFR-DLBZAZTESA-N 2 2 332.492 3.161 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522468 1380464107 /nfs/dbraw/zinc/46/41/07/1380464107.db2.gz VONIDUPAASSDNK-CWDJHMJFSA-N 2 2 334.508 3.407 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522468 1380464108 /nfs/dbraw/zinc/46/41/08/1380464108.db2.gz VONIDUPAASSDNK-CWDJHMJFSA-N 2 2 334.508 3.407 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881025 1381058557 /nfs/dbraw/zinc/05/85/57/1381058557.db2.gz QLHSLIKWXQWVNL-OOFWQKGWSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881025 1381058561 /nfs/dbraw/zinc/05/85/61/1381058561.db2.gz QLHSLIKWXQWVNL-OOFWQKGWSA-N 2 2 346.519 3.402 20 0 EGADLP C[C@H]1CCCN(c2cc(N(CC(C)(C)C)C3CC[NH2+]CC3)nc[nH+]2)C1 ZINC001157891524 1381061816 /nfs/dbraw/zinc/06/18/16/1381061816.db2.gz DLAJILVGWZKUFP-INIZCTEOSA-N 2 2 345.535 3.317 20 0 EGADLP C[C@H]1CCCN(c2cc(N(CC(C)(C)C)C3CC[NH2+]CC3)[nH+]cn2)C1 ZINC001157891524 1381061820 /nfs/dbraw/zinc/06/18/20/1381061820.db2.gz DLAJILVGWZKUFP-INIZCTEOSA-N 2 2 345.535 3.317 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCCC(C)(C)C ZINC001328281990 1388713449 /nfs/dbraw/zinc/71/34/49/1388713449.db2.gz FNLAVFKJRFHNSI-IRXDYDNUSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCCC(C)(C)C ZINC001328281990 1388713452 /nfs/dbraw/zinc/71/34/52/1388713452.db2.gz FNLAVFKJRFHNSI-IRXDYDNUSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)=CC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491345 1382120597 /nfs/dbraw/zinc/12/05/97/1382120597.db2.gz CLGLGERZNCDAJX-UHFFFAOYSA-N 2 2 344.503 3.031 20 0 EGADLP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491345 1382120600 /nfs/dbraw/zinc/12/06/00/1382120600.db2.gz CLGLGERZNCDAJX-UHFFFAOYSA-N 2 2 344.503 3.031 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001160533632 1382133693 /nfs/dbraw/zinc/13/36/93/1382133693.db2.gz AKHQQBDZAXOBOT-KRWDZBQOSA-N 2 2 334.508 3.002 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001160533900 1382134669 /nfs/dbraw/zinc/13/46/69/1382134669.db2.gz CYLQZIOXTPFIFP-SFHVURJKSA-N 2 2 334.508 3.147 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@H+](CC3CC3)CC2)c(C)[nH+]1 ZINC001160760557 1382189128 /nfs/dbraw/zinc/18/91/28/1382189128.db2.gz BZWCHJJCTXULDZ-UHFFFAOYSA-N 2 2 327.472 3.169 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@@H+](CC3CC3)CC2)c(C)[nH+]1 ZINC001160760557 1382189133 /nfs/dbraw/zinc/18/91/33/1382189133.db2.gz BZWCHJJCTXULDZ-UHFFFAOYSA-N 2 2 327.472 3.169 20 0 EGADLP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821513 1382209387 /nfs/dbraw/zinc/20/93/87/1382209387.db2.gz IQRVTMDMAPMSMR-SNAWJCMRSA-N 2 2 344.503 3.158 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821513 1382209390 /nfs/dbraw/zinc/20/93/90/1382209390.db2.gz IQRVTMDMAPMSMR-SNAWJCMRSA-N 2 2 344.503 3.158 20 0 EGADLP Cc1c[nH+]c(NC2CC[NH+](Cc3ccncc3)CC2)nc1NC(C)C ZINC001161100586 1382295882 /nfs/dbraw/zinc/29/58/82/1382295882.db2.gz ILDGPTDLXLLNMP-UHFFFAOYSA-N 2 2 340.475 3.077 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161328046 1382372245 /nfs/dbraw/zinc/37/22/45/1382372245.db2.gz HCVQUZPYWCVQJY-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161328046 1382372248 /nfs/dbraw/zinc/37/22/48/1382372248.db2.gz HCVQUZPYWCVQJY-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP Cc1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001161470734 1382417582 /nfs/dbraw/zinc/41/75/82/1382417582.db2.gz UJZIYZNVLQTKAY-SFHVURJKSA-N 2 2 343.519 3.071 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001162432625 1382757476 /nfs/dbraw/zinc/75/74/76/1382757476.db2.gz CYJGLIJOQBAELS-KRWDZBQOSA-N 2 2 336.439 3.195 20 0 EGADLP Cc1cc(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)nc(C)[nH+]1 ZINC001162471641 1382768054 /nfs/dbraw/zinc/76/80/54/1382768054.db2.gz UKFJROXYXYSRIG-UHFFFAOYSA-N 2 2 332.492 3.319 20 0 EGADLP Cc1cc(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)nc(C)[nH+]1 ZINC001162471641 1382768058 /nfs/dbraw/zinc/76/80/58/1382768058.db2.gz UKFJROXYXYSRIG-UHFFFAOYSA-N 2 2 332.492 3.319 20 0 EGADLP c1[nH+]c2cc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc2n1-c1ccccc1 ZINC001163320950 1383021810 /nfs/dbraw/zinc/02/18/10/1383021810.db2.gz AWPKFAVDHISPEQ-UTKZUKDTSA-N 2 2 348.450 3.349 20 0 EGADLP Cc1[nH+]ccn1CCNc1cc[nH+]c2ccc(Br)cc12 ZINC001163923875 1383136039 /nfs/dbraw/zinc/13/60/39/1383136039.db2.gz LZMKFFLOOYGFAJ-UHFFFAOYSA-N 2 2 331.217 3.036 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC001165113940 1383230575 /nfs/dbraw/zinc/23/05/75/1383230575.db2.gz XFBYGXHTIUCGLF-KRWDZBQOSA-N 2 2 346.519 3.162 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC001165113940 1383230577 /nfs/dbraw/zinc/23/05/77/1383230577.db2.gz XFBYGXHTIUCGLF-KRWDZBQOSA-N 2 2 346.519 3.162 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC001165113941 1383230630 /nfs/dbraw/zinc/23/06/30/1383230630.db2.gz XFBYGXHTIUCGLF-QGZVFWFLSA-N 2 2 346.519 3.162 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC001165113941 1383230632 /nfs/dbraw/zinc/23/06/32/1383230632.db2.gz XFBYGXHTIUCGLF-QGZVFWFLSA-N 2 2 346.519 3.162 20 0 EGADLP CCCN(CCC)c1cc(N2CCC3(CCCC[NH2+]3)CC2)nc[nH+]1 ZINC001165247762 1383257553 /nfs/dbraw/zinc/25/75/53/1383257553.db2.gz YIBAHFXHPGGXBJ-UHFFFAOYSA-N 2 2 331.508 3.216 20 0 EGADLP CCCN(CCC)c1cc(N2CCC3(CCCC[NH2+]3)CC2)[nH+]cn1 ZINC001165247762 1383257556 /nfs/dbraw/zinc/25/75/56/1383257556.db2.gz YIBAHFXHPGGXBJ-UHFFFAOYSA-N 2 2 331.508 3.216 20 0 EGADLP CSc1cc[nH+]c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001165418274 1383291798 /nfs/dbraw/zinc/29/17/98/1383291798.db2.gz OQGMPKQDKGGJNI-MJGOQNOKSA-N 2 2 325.481 3.387 20 0 EGADLP CCCC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165637221 1383318726 /nfs/dbraw/zinc/31/87/26/1383318726.db2.gz ILOVJVFIJQJSIW-QGZVFWFLSA-N 2 2 334.508 3.147 20 0 EGADLP CC(C)CC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165638579 1383318776 /nfs/dbraw/zinc/31/87/76/1383318776.db2.gz VOFVRJHJMLPDRO-GOSISDBHSA-N 2 2 348.535 3.393 20 0 EGADLP Cc1cc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001165670690 1383322342 /nfs/dbraw/zinc/32/23/42/1383322342.db2.gz STLJRRHNRBIWDR-MRXNPFEDSA-N 2 2 344.503 3.178 20 0 EGADLP Cc1nc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc(C(C)C)[nH+]1 ZINC001165672634 1383323119 /nfs/dbraw/zinc/32/31/19/1383323119.db2.gz WKOXALURWPOQMX-MRXNPFEDSA-N 2 2 346.519 3.424 20 0 EGADLP CC(C)(C)OC(=O)Nc1cc(-n2ccc3cc(C[NH3+])cnc32)cc[nH+]1 ZINC001167311552 1383593085 /nfs/dbraw/zinc/59/30/85/1383593085.db2.gz PWIROLTUHODOJW-UHFFFAOYSA-N 2 2 339.399 3.226 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422109 1383628984 /nfs/dbraw/zinc/62/89/84/1383628984.db2.gz ITFLOKGFHBLEDL-RTRPANQVSA-N 2 2 346.519 3.211 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422109 1383628987 /nfs/dbraw/zinc/62/89/87/1383628987.db2.gz ITFLOKGFHBLEDL-RTRPANQVSA-N 2 2 346.519 3.211 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426645 1383631150 /nfs/dbraw/zinc/63/11/50/1383631150.db2.gz WQTVISYWNVZGLB-MRXNPFEDSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426645 1383631156 /nfs/dbraw/zinc/63/11/56/1383631156.db2.gz WQTVISYWNVZGLB-MRXNPFEDSA-N 2 2 346.519 3.045 20 0 EGADLP Cc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c(C[NH+]2CCOCC2)c1 ZINC001167626767 1383692882 /nfs/dbraw/zinc/69/28/82/1383692882.db2.gz SOWVBKCKPYTSMU-UHFFFAOYSA-N 2 2 345.531 3.312 20 0 EGADLP c1[nH+]c2cc(NCC[NH+]3CCSCC3)ccc2n1-c1ccccc1 ZINC001167837409 1383755379 /nfs/dbraw/zinc/75/53/79/1383755379.db2.gz MABXSEZRVMIYSI-UHFFFAOYSA-N 2 2 338.480 3.486 20 0 EGADLP FC1(F)CC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940834 1383774154 /nfs/dbraw/zinc/77/41/54/1383774154.db2.gz NBUTVWITRIPNGT-NBMJBFSESA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940834 1383774158 /nfs/dbraw/zinc/77/41/58/1383774158.db2.gz NBUTVWITRIPNGT-NBMJBFSESA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001167940834 1383774159 /nfs/dbraw/zinc/77/41/59/1383774159.db2.gz NBUTVWITRIPNGT-NBMJBFSESA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001167940834 1383774162 /nfs/dbraw/zinc/77/41/62/1383774162.db2.gz NBUTVWITRIPNGT-NBMJBFSESA-N 2 2 347.453 3.413 20 0 EGADLP C[C@@H]1CC(N2CCc3c([nH+]cn3C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168062722 1383807161 /nfs/dbraw/zinc/80/71/61/1383807161.db2.gz LVRDJBUPNDVPCK-IAGOWNOFSA-N 2 2 338.499 3.220 20 0 EGADLP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CC1 ZINC001168303964 1383868600 /nfs/dbraw/zinc/86/86/00/1383868600.db2.gz HQMAXTHHBNRMFC-KBWCOIMZSA-N 3 2 329.532 3.156 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC001308176552 1384105889 /nfs/dbraw/zinc/10/58/89/1384105889.db2.gz LJMBJKFHLNLJCM-STZQEDGTSA-N 2 2 337.511 3.399 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC001308176552 1384105891 /nfs/dbraw/zinc/10/58/91/1384105891.db2.gz LJMBJKFHLNLJCM-STZQEDGTSA-N 2 2 337.511 3.399 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)c(Cl)n1)C2 ZINC001169102144 1384107544 /nfs/dbraw/zinc/10/75/44/1384107544.db2.gz XSEQQPOQFIDEQX-CNDDSTCGSA-N 2 2 344.684 3.212 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(Br)c(Cl)n1)C2 ZINC001169102144 1384107548 /nfs/dbraw/zinc/10/75/48/1384107548.db2.gz XSEQQPOQFIDEQX-CNDDSTCGSA-N 2 2 344.684 3.212 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169109128 1384108398 /nfs/dbraw/zinc/10/83/98/1384108398.db2.gz HUEXHKFTWZDAHU-WKCHPHFGSA-N 2 2 345.506 3.313 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169109128 1384108399 /nfs/dbraw/zinc/10/83/99/1384108399.db2.gz HUEXHKFTWZDAHU-WKCHPHFGSA-N 2 2 345.506 3.313 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001308208543 1384108989 /nfs/dbraw/zinc/10/89/89/1384108989.db2.gz OKYDBJDPHYNELU-UHFFFAOYSA-N 2 2 340.414 3.261 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001308465894 1384127362 /nfs/dbraw/zinc/12/73/62/1384127362.db2.gz YGZQEXKUKYUJEG-GOSISDBHSA-N 2 2 345.531 3.374 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130425 /nfs/dbraw/zinc/13/04/25/1384130425.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130429 /nfs/dbraw/zinc/13/04/29/1384130429.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130431 /nfs/dbraw/zinc/13/04/31/1384130431.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268122 1384130433 /nfs/dbraw/zinc/13/04/33/1384130433.db2.gz GXORQVDUSYFIMC-LEWJYISDSA-N 3 2 341.543 3.315 20 0 EGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169745342 1384181502 /nfs/dbraw/zinc/18/15/02/1384181502.db2.gz LHJHWICXRJHFBC-MOPGFXCFSA-N 2 2 343.515 3.144 20 0 EGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169745342 1384181504 /nfs/dbraw/zinc/18/15/04/1384181504.db2.gz LHJHWICXRJHFBC-MOPGFXCFSA-N 2 2 343.515 3.144 20 0 EGADLP CC(C)(C)CC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023500 1384220047 /nfs/dbraw/zinc/22/00/47/1384220047.db2.gz ZEMUGKYBRYWSMC-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)CCO1 ZINC001170171916 1384255056 /nfs/dbraw/zinc/25/50/56/1384255056.db2.gz WNKXCYVJTPNQAA-RBUKOAKNSA-N 2 2 332.488 3.207 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170472136 1384326087 /nfs/dbraw/zinc/32/60/87/1384326087.db2.gz KMWWDBWAOWHXJP-MRXNPFEDSA-N 2 2 332.492 3.107 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170484412 1384328856 /nfs/dbraw/zinc/32/88/56/1384328856.db2.gz YKTXJOBTKKIFNX-MRXNPFEDSA-N 2 2 336.524 3.433 20 0 EGADLP C[NH+](C)Cc1nc(CSCC[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)cs1 ZINC001170721580 1384373204 /nfs/dbraw/zinc/37/32/04/1384373204.db2.gz WRSXTGKVQUEBDZ-YOWGUQMCSA-N 2 2 339.574 3.462 20 0 EGADLP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170787049 1384385520 /nfs/dbraw/zinc/38/55/20/1384385520.db2.gz VURLJBFOFGUGFI-YOEHRIQHSA-N 2 2 348.466 3.269 20 0 EGADLP COc1ccc2[nH+]ccc(-n3c4ccccc4c4c3C[C@@H]([NH3+])CC4)c2n1 ZINC001171094152 1384444505 /nfs/dbraw/zinc/44/45/05/1384444505.db2.gz NHIXGTIADVJYOS-ZDUSSCGKSA-N 2 2 344.418 3.398 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)C ZINC001171487934 1384539172 /nfs/dbraw/zinc/53/91/72/1384539172.db2.gz YTLHMYNPFGRMTR-QGZVFWFLSA-N 2 2 349.519 3.334 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CCc3cc(F)c(F)c(F)c3C1)CC[NH2+]CC2 ZINC001171534493 1384554989 /nfs/dbraw/zinc/55/49/89/1384554989.db2.gz VSJFXTCJTSMSKN-LBPRGKRZSA-N 2 2 335.373 3.027 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784482 1384635626 /nfs/dbraw/zinc/63/56/26/1384635626.db2.gz OAVUZPKBAVFRCO-HNNXBMFYSA-N 2 2 328.460 3.013 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCCC[NH2+]CCOC(C)C)c(C)[nH+]1 ZINC001171861126 1384663266 /nfs/dbraw/zinc/66/32/66/1384663266.db2.gz YNZHYFGXGGYLDE-MRXNPFEDSA-N 2 2 349.519 3.310 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171895552 1384673163 /nfs/dbraw/zinc/67/31/63/1384673163.db2.gz ATBCRURWIYGPEV-MRXNPFEDSA-N 2 2 336.524 3.054 20 0 EGADLP CCC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171941703 1384690183 /nfs/dbraw/zinc/69/01/83/1384690183.db2.gz AXRQBXPXUPVHEG-INIZCTEOSA-N 2 2 328.460 3.161 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC001171966244 1384697722 /nfs/dbraw/zinc/69/77/22/1384697722.db2.gz UIMWCYDZCMRMHD-LJQANCHMSA-N 3 2 326.488 3.306 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC001171966244 1384697725 /nfs/dbraw/zinc/69/77/25/1384697725.db2.gz UIMWCYDZCMRMHD-LJQANCHMSA-N 3 2 326.488 3.306 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nn1 ZINC001171982724 1384704052 /nfs/dbraw/zinc/70/40/52/1384704052.db2.gz KHFQRWMQGWCVND-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nn1 ZINC001171982724 1384704053 /nfs/dbraw/zinc/70/40/53/1384704053.db2.gz KHFQRWMQGWCVND-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706352 /nfs/dbraw/zinc/70/63/52/1384706352.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 2 327.516 3.208 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706357 /nfs/dbraw/zinc/70/63/57/1384706357.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 2 327.516 3.208 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706370 /nfs/dbraw/zinc/70/63/70/1384706370.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 2 327.516 3.208 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988267 1384706375 /nfs/dbraw/zinc/70/63/75/1384706375.db2.gz QOAXPLFTLGXFMO-AQNXPRMDSA-N 2 2 327.516 3.208 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001316947945 1384719836 /nfs/dbraw/zinc/71/98/36/1384719836.db2.gz PIMHYHGICITBIM-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001316947945 1384719841 /nfs/dbraw/zinc/71/98/41/1384719841.db2.gz PIMHYHGICITBIM-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP Cn1cc[nH+]c1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075618 1384720385 /nfs/dbraw/zinc/72/03/85/1384720385.db2.gz CLKMLDVQPSTNLU-ACDBMABISA-N 3 2 338.499 3.138 20 0 EGADLP Cn1cc[nH+]c1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075618 1384720388 /nfs/dbraw/zinc/72/03/88/1384720388.db2.gz CLKMLDVQPSTNLU-ACDBMABISA-N 3 2 338.499 3.138 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339138 1384773326 /nfs/dbraw/zinc/77/33/26/1384773326.db2.gz PCSJDKATMQHAOR-IRXDYDNUSA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339138 1384773330 /nfs/dbraw/zinc/77/33/30/1384773330.db2.gz PCSJDKATMQHAOR-IRXDYDNUSA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001172339138 1384773333 /nfs/dbraw/zinc/77/33/33/1384773333.db2.gz PCSJDKATMQHAOR-IRXDYDNUSA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001172339138 1384773335 /nfs/dbraw/zinc/77/33/35/1384773335.db2.gz PCSJDKATMQHAOR-IRXDYDNUSA-N 2 2 336.524 3.133 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001172361730 1384777888 /nfs/dbraw/zinc/77/78/88/1384777888.db2.gz LQKKZCCMICJXGM-HBFSDRIKSA-N 2 2 346.515 3.312 20 0 EGADLP CC[C@H](CC(C)C)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001172404240 1384785721 /nfs/dbraw/zinc/78/57/21/1384785721.db2.gz TZVJKJPHHOYPST-QGZVFWFLSA-N 2 2 331.508 3.024 20 0 EGADLP COc1cc(N([C@@H](C)CCOCC(C)C)C2CC[NH2+]CC2)cc[nH+]1 ZINC001172479988 1384802318 /nfs/dbraw/zinc/80/23/18/1384802318.db2.gz MFTSGSIYXOKLDM-INIZCTEOSA-N 2 2 335.492 3.100 20 0 EGADLP CC1(C)CC([N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC(C)(C)O1 ZINC001172656498 1384827402 /nfs/dbraw/zinc/82/74/02/1384827402.db2.gz IWJAPZSDKDWXIH-UHFFFAOYSA-N 2 2 346.519 3.031 20 0 EGADLP CC1(C)CC([N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC(C)(C)O1 ZINC001172656498 1384827406 /nfs/dbraw/zinc/82/74/06/1384827406.db2.gz IWJAPZSDKDWXIH-UHFFFAOYSA-N 2 2 346.519 3.031 20 0 EGADLP COC1CC[NH+](C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)CC1 ZINC001172721032 1384837051 /nfs/dbraw/zinc/83/70/51/1384837051.db2.gz BADLQDXRUVQXPG-LJQANCHMSA-N 2 2 348.918 3.382 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172768960 1384847781 /nfs/dbraw/zinc/84/77/81/1384847781.db2.gz ZWOKLLVTAFIJCH-SJORKVTESA-N 2 2 327.428 3.084 20 0 EGADLP CC[NH+](CC)C1CCC([NH2+][C@H](Cc2ccccc2)C(=O)OC)CC1 ZINC001173104031 1384915799 /nfs/dbraw/zinc/91/57/99/1384915799.db2.gz DHQISBPRVPHHSB-CTWPCTMYSA-N 2 2 332.488 3.013 20 0 EGADLP [NH3+]Cc1cccc(-c2c[nH+]cn2C2CCN(CC(F)(F)F)CC2)c1 ZINC001173665815 1384999548 /nfs/dbraw/zinc/99/95/48/1384999548.db2.gz LEIRPKPLABPBSM-UHFFFAOYSA-N 2 2 338.377 3.208 20 0 EGADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001317290736 1385064242 /nfs/dbraw/zinc/06/42/42/1385064242.db2.gz SXHQZIVXOQUIJP-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174579879 1385122091 /nfs/dbraw/zinc/12/20/91/1385122091.db2.gz DEHCMSAFSIUJSW-QWNKOJSDSA-N 2 2 334.508 3.284 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175468525 1385300551 /nfs/dbraw/zinc/30/05/51/1385300551.db2.gz GJPNYNMSJSVMNJ-HUUCEWRRSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175502383 1385313002 /nfs/dbraw/zinc/31/30/02/1385313002.db2.gz IEZJOKPHMGLXSI-IAGOWNOFSA-N 2 2 334.508 3.289 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175630251 1385357174 /nfs/dbraw/zinc/35/71/74/1385357174.db2.gz OUOYTDLEUXIJKU-IRXDYDNUSA-N 2 2 346.519 3.353 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175630251 1385357177 /nfs/dbraw/zinc/35/71/77/1385357177.db2.gz OUOYTDLEUXIJKU-IRXDYDNUSA-N 2 2 346.519 3.353 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001317680537 1385389108 /nfs/dbraw/zinc/38/91/08/1385389108.db2.gz DWQVLEDTOCAHBB-CVEARBPZSA-N 2 2 348.535 3.160 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402134 1385577308 /nfs/dbraw/zinc/57/73/08/1385577308.db2.gz QPAZBOKAIVCKFM-MJRGOJFPSA-N 2 2 348.535 3.364 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1nccc2ccccc21 ZINC001318500376 1385728272 /nfs/dbraw/zinc/72/82/72/1385728272.db2.gz AUQASSMEDKXQLR-UHFFFAOYSA-N 2 2 329.363 3.376 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001318686942 1385839839 /nfs/dbraw/zinc/83/98/39/1385839839.db2.gz SBRJFOCECYQXAP-JLTOFOAXSA-N 2 2 342.487 3.177 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378468 1385934314 /nfs/dbraw/zinc/93/43/14/1385934314.db2.gz BICUPLWTBKDJET-UHFFFAOYSA-N 2 2 334.508 3.072 20 0 EGADLP COc1cc(OC)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC001177565522 1385998542 /nfs/dbraw/zinc/99/85/42/1385998542.db2.gz DKWMZEPIZVACQH-UHFFFAOYSA-N 2 2 341.386 3.318 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823433 1386318264 /nfs/dbraw/zinc/31/82/64/1386318264.db2.gz NYWFJMZGJDWNMP-HNNXBMFYSA-N 2 2 330.476 3.489 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178865014 1386333240 /nfs/dbraw/zinc/33/32/40/1386333240.db2.gz NDCUXMGDWMLIFY-DDKKJVIOSA-N 2 2 346.519 3.068 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178871242 1386334578 /nfs/dbraw/zinc/33/45/78/1386334578.db2.gz KCZPJNRMXQXBJN-DDKKJVIOSA-N 2 2 346.519 3.068 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097090 1386399805 /nfs/dbraw/zinc/39/98/05/1386399805.db2.gz AYHFVGKTVPXMCW-UHFFFAOYSA-N 2 2 336.524 3.055 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001319957761 1386418857 /nfs/dbraw/zinc/41/88/57/1386418857.db2.gz YRCIFXRYFRLVKR-CJNGLKHVSA-N 2 2 348.878 3.097 20 0 EGADLP C[C@H](CC(=O)NCCCCCC[NH2+]CCC(F)(F)F)n1cc[nH+]c1 ZINC001179706277 1386560623 /nfs/dbraw/zinc/56/06/23/1386560623.db2.gz ZDDPKTJARFFEBI-CQSZACIVSA-N 2 2 348.413 3.053 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776851 1386582094 /nfs/dbraw/zinc/58/20/94/1386582094.db2.gz KNHNCIYVANCGSV-INIZCTEOSA-N 2 2 348.535 3.291 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776851 1386582099 /nfs/dbraw/zinc/58/20/99/1386582099.db2.gz KNHNCIYVANCGSV-INIZCTEOSA-N 2 2 348.535 3.291 20 0 EGADLP CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001320723716 1386702464 /nfs/dbraw/zinc/70/24/64/1386702464.db2.gz VBHGPIRBDINUPE-QGZVFWFLSA-N 2 2 327.428 3.098 20 0 EGADLP CCOC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001320723716 1386702466 /nfs/dbraw/zinc/70/24/66/1386702466.db2.gz VBHGPIRBDINUPE-QGZVFWFLSA-N 2 2 327.428 3.098 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001180158458 1386716935 /nfs/dbraw/zinc/71/69/35/1386716935.db2.gz LGIKJUUJIKBSPW-MRXNPFEDSA-N 2 2 336.524 3.209 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001180387053 1386781150 /nfs/dbraw/zinc/78/11/50/1386781150.db2.gz IWYUXUHPSALAAZ-IBGZPJMESA-N 2 2 348.535 3.141 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452168 1386800706 /nfs/dbraw/zinc/80/07/06/1386800706.db2.gz OISCEADKHGKNLL-ONEGZZNKSA-N 2 2 334.508 3.286 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCCCCC[NH2+]Cc1ccsc1 ZINC001180452128 1386801097 /nfs/dbraw/zinc/80/10/97/1386801097.db2.gz MWRDTGMSCYXKRU-UHFFFAOYSA-N 2 2 348.516 3.191 20 0 EGADLP Cc1c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)ccc2c[nH+]cn21 ZINC001321073817 1386801119 /nfs/dbraw/zinc/80/11/19/1386801119.db2.gz LTTUMSMCDRBAFV-UHFFFAOYSA-N 2 2 332.363 3.185 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1cccc(N(C)C)c1 ZINC001321179635 1386832106 /nfs/dbraw/zinc/83/21/06/1386832106.db2.gz HRYXLCZRMAXMGS-UHFFFAOYSA-N 2 2 349.438 3.213 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001182316854 1387147528 /nfs/dbraw/zinc/14/75/28/1387147528.db2.gz OTRRIEQMISYHTM-SFHVURJKSA-N 2 2 348.450 3.493 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001182316854 1387147532 /nfs/dbraw/zinc/14/75/32/1387147532.db2.gz OTRRIEQMISYHTM-SFHVURJKSA-N 2 2 348.450 3.493 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCCC(C)(C)C)C3)ccn12 ZINC001182579921 1387190292 /nfs/dbraw/zinc/19/02/92/1387190292.db2.gz NHPVGVSTBLSOSJ-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(OC(F)F)c1 ZINC001322851040 1387246289 /nfs/dbraw/zinc/24/62/89/1387246289.db2.gz UVLWYOMBOXNANW-UHFFFAOYSA-N 2 2 344.321 3.429 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC001331520917 1389781538 /nfs/dbraw/zinc/78/15/38/1389781538.db2.gz WPXGEUAWHPFXCO-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001338949849 1389838566 /nfs/dbraw/zinc/83/85/66/1389838566.db2.gz RNTKQWXQVZYDBH-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001338949849 1389838570 /nfs/dbraw/zinc/83/85/70/1389838570.db2.gz RNTKQWXQVZYDBH-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001339845234 1390169247 /nfs/dbraw/zinc/16/92/47/1390169247.db2.gz JSVKPCDFTNTAJQ-IBGZPJMESA-N 2 2 341.430 3.278 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001339845234 1390169250 /nfs/dbraw/zinc/16/92/50/1390169250.db2.gz JSVKPCDFTNTAJQ-IBGZPJMESA-N 2 2 341.430 3.278 20 0 EGADLP C[C@H]([NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC001332839450 1390198054 /nfs/dbraw/zinc/19/80/54/1390198054.db2.gz XTDGHGPAOYOHBA-FUHWJXTLSA-N 2 2 342.487 3.155 20 0 EGADLP Cc1ccc2nc(C[N@@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)cn2c1 ZINC001335060780 1390636629 /nfs/dbraw/zinc/63/66/29/1390636629.db2.gz KWWWSJSEHYFODL-SFHVURJKSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1ccc2nc(C[N@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)cn2c1 ZINC001335060780 1390636631 /nfs/dbraw/zinc/63/66/31/1390636631.db2.gz KWWWSJSEHYFODL-SFHVURJKSA-N 2 2 335.455 3.423 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001480729170 1392890795 /nfs/dbraw/zinc/89/07/95/1392890795.db2.gz WWUASZFLCKZQGJ-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001480729170 1392890800 /nfs/dbraw/zinc/89/08/00/1392890800.db2.gz WWUASZFLCKZQGJ-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)CCn2cc[nH+]c2)cc1 ZINC001481263782 1393155010 /nfs/dbraw/zinc/15/50/10/1393155010.db2.gz ZBDWJHQZFJRQDT-KRWDZBQOSA-N 2 2 342.487 3.206 20 0 EGADLP C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001481333173 1393165604 /nfs/dbraw/zinc/16/56/04/1393165604.db2.gz BMEBMTJYOYDSTB-NHEDYWLLSA-N 2 2 346.862 3.146 20 0 EGADLP CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001493836162 1396343889 /nfs/dbraw/zinc/34/38/89/1396343889.db2.gz GPHOOBXNMTYMHW-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690197129 1404405962 /nfs/dbraw/zinc/40/59/62/1404405962.db2.gz HCFOWRWYPCZCLG-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690197129 1404405964 /nfs/dbraw/zinc/40/59/64/1404405964.db2.gz HCFOWRWYPCZCLG-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC001690606058 1404649149 /nfs/dbraw/zinc/64/91/49/1404649149.db2.gz FRHFSUDXACSSOS-SJORKVTESA-N 2 2 348.450 3.341 20 0 EGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001690981075 1404894184 /nfs/dbraw/zinc/89/41/84/1404894184.db2.gz ZBTDTAPGSUMVLD-HNNXBMFYSA-N 2 2 342.487 3.059 20 0 EGADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001690981075 1404894190 /nfs/dbraw/zinc/89/41/90/1404894190.db2.gz ZBTDTAPGSUMVLD-HNNXBMFYSA-N 2 2 342.487 3.059 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691453280 1405278220 /nfs/dbraw/zinc/27/82/20/1405278220.db2.gz WRSCUWKIZCURBR-ZACQAIPSSA-N 2 2 342.487 3.115 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001691574381 1405343489 /nfs/dbraw/zinc/34/34/89/1405343489.db2.gz NECDFJMTJHPNOI-OAHLLOKOSA-N 2 2 342.487 3.193 20 0 EGADLP C[N@H+](CCCC1CCC1)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001732550224 1428731242 /nfs/dbraw/zinc/73/12/42/1428731242.db2.gz JSDDYKGUYGZGRF-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCC1)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001732550224 1428731245 /nfs/dbraw/zinc/73/12/45/1428731245.db2.gz JSDDYKGUYGZGRF-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001732592690 1428818851 /nfs/dbraw/zinc/81/88/51/1428818851.db2.gz LIMVOLMZVXTYDI-QZTJIDSGSA-N 2 2 342.487 3.294 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001732592690 1428818855 /nfs/dbraw/zinc/81/88/55/1428818855.db2.gz LIMVOLMZVXTYDI-QZTJIDSGSA-N 2 2 342.487 3.294 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001732593462 1428822556 /nfs/dbraw/zinc/82/25/56/1428822556.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001732593462 1428822562 /nfs/dbraw/zinc/82/25/62/1428822562.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001732593462 1428822565 /nfs/dbraw/zinc/82/25/65/1428822565.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001732593462 1428822569 /nfs/dbraw/zinc/82/25/69/1428822569.db2.gz ABLWJRUOOCYXFK-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001712999996 1417552778 /nfs/dbraw/zinc/55/27/78/1417552778.db2.gz PZRJFDNVEBVUMV-WMZOPIPTSA-N 2 2 348.535 3.148 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001713311756 1417935931 /nfs/dbraw/zinc/93/59/31/1417935931.db2.gz XPNFRKQFBPQNLM-GJZGRUSLSA-N 2 2 330.476 3.033 20 0 EGADLP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713400486 1418022579 /nfs/dbraw/zinc/02/25/79/1418022579.db2.gz JCZVDERABGUDQD-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713400486 1418022584 /nfs/dbraw/zinc/02/25/84/1418022584.db2.gz JCZVDERABGUDQD-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001714158337 1418969723 /nfs/dbraw/zinc/96/97/23/1418969723.db2.gz ZEAYFZFNWODEPA-SJORKVTESA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001714158337 1418969724 /nfs/dbraw/zinc/96/97/24/1418969724.db2.gz ZEAYFZFNWODEPA-SJORKVTESA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@H]1C ZINC001714187236 1418994278 /nfs/dbraw/zinc/99/42/78/1418994278.db2.gz QTAYFJUPXSVCLJ-OXQOHEQNSA-N 2 2 348.535 3.054 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001714256312 1419040862 /nfs/dbraw/zinc/04/08/62/1419040862.db2.gz LQRDUYBYFHAYIY-INIZCTEOSA-N 2 2 325.456 3.223 20 0 EGADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714286071 1419065363 /nfs/dbraw/zinc/06/53/63/1419065363.db2.gz IFQALZZRCXONCH-HUUCEWRRSA-N 2 2 342.487 3.105 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001714507024 1419234032 /nfs/dbraw/zinc/23/40/32/1419234032.db2.gz NDYHDLADBMQAEQ-MRXNPFEDSA-N 2 2 340.471 3.040 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341511 /nfs/dbraw/zinc/34/15/11/1419341511.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341512 /nfs/dbraw/zinc/34/15/12/1419341512.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341513 /nfs/dbraw/zinc/34/15/13/1419341513.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1C ZINC001714593035 1419341514 /nfs/dbraw/zinc/34/15/14/1419341514.db2.gz CYBKVFFCQKAMKI-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714735319 1419487886 /nfs/dbraw/zinc/48/78/86/1419487886.db2.gz JZZQDPYWSJBGHQ-MRXNPFEDSA-N 2 2 336.439 3.066 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714735315 1419488037 /nfs/dbraw/zinc/48/80/37/1419488037.db2.gz JZZQDPYWSJBGHQ-INIZCTEOSA-N 2 2 336.439 3.066 20 0 EGADLP CC(C)[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001714978609 1419713225 /nfs/dbraw/zinc/71/32/25/1419713225.db2.gz QGNIKRRFHLYCJY-INIZCTEOSA-N 2 2 328.460 3.011 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717213851 1421189424 /nfs/dbraw/zinc/18/94/24/1421189424.db2.gz ZDCIJVJEQFSBOU-KRWDZBQOSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717213851 1421189426 /nfs/dbraw/zinc/18/94/26/1421189426.db2.gz ZDCIJVJEQFSBOU-KRWDZBQOSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375251 1421316683 /nfs/dbraw/zinc/31/66/83/1421316683.db2.gz VZKUQCKSJXMOBU-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375251 1421316684 /nfs/dbraw/zinc/31/66/84/1421316684.db2.gz VZKUQCKSJXMOBU-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CCCC1CCCC1 ZINC001717480414 1421415642 /nfs/dbraw/zinc/41/56/42/1421415642.db2.gz LECATKCOFHDUPT-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CCCC1CCCC1 ZINC001717480414 1421415643 /nfs/dbraw/zinc/41/56/43/1421415643.db2.gz LECATKCOFHDUPT-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC001724747428 1425116779 /nfs/dbraw/zinc/11/67/79/1425116779.db2.gz QEJVNQGLSLXWNF-CQSZACIVSA-N 2 2 340.471 3.028 20 0 EGADLP CCCC[C@@H](C[NH2+]CC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001725234745 1425816373 /nfs/dbraw/zinc/81/63/73/1425816373.db2.gz RMPUZKIJPUPCHL-INIZCTEOSA-N 2 2 328.460 3.013 20 0 EGADLP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731297951 1427240619 /nfs/dbraw/zinc/24/06/19/1427240619.db2.gz VFHMVUKOLDQIMN-WBVHZDCISA-N 2 2 340.471 3.107 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731595630 1427638490 /nfs/dbraw/zinc/63/84/90/1427638490.db2.gz OXKRAFOOBJCZHL-GTPINHCMSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731595630 1427638497 /nfs/dbraw/zinc/63/84/97/1427638497.db2.gz OXKRAFOOBJCZHL-GTPINHCMSA-N 2 2 348.535 3.289 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001731632691 1427686300 /nfs/dbraw/zinc/68/63/00/1427686300.db2.gz CHCBCXPGXKGIJI-BLLLJJGKSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC001731884410 1428157508 /nfs/dbraw/zinc/15/75/08/1428157508.db2.gz JOJXFCDTMZHZRT-NVXWUHKLSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](CC[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC001731884410 1428157512 /nfs/dbraw/zinc/15/75/12/1428157512.db2.gz JOJXFCDTMZHZRT-NVXWUHKLSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(NCC1([NH2+]CCc2ccccc2)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001733718257 1429938084 /nfs/dbraw/zinc/93/80/84/1429938084.db2.gz JLMZXRUZDIGWKH-UHFFFAOYSA-N 2 2 348.450 3.048 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@@H]([NH2+]C(C)C)C(C)C)ccn12 ZINC001734080821 1437868086 /nfs/dbraw/zinc/86/80/86/1437868086.db2.gz QQDLXHBGQPMPHR-QGZVFWFLSA-N 2 2 330.476 3.127 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734333974 1438056592 /nfs/dbraw/zinc/05/65/92/1438056592.db2.gz JCOJHXTWZNALAQ-MRXNPFEDSA-N 2 2 342.487 3.359 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](CC[C@H](C)F)C2CC2)c(C)[nH+]1 ZINC001752270150 1440163000 /nfs/dbraw/zinc/16/30/00/1440163000.db2.gz XTIFHJIANCACJG-AWEZNQCLSA-N 2 2 335.467 3.339 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](CC[C@H](C)F)C2CC2)c(C)[nH+]1 ZINC001752270150 1440163002 /nfs/dbraw/zinc/16/30/02/1440163002.db2.gz XTIFHJIANCACJG-AWEZNQCLSA-N 2 2 335.467 3.339 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001752323950 1440170905 /nfs/dbraw/zinc/17/09/05/1440170905.db2.gz QRVKZHVDXWNXNP-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001752323950 1440170907 /nfs/dbraw/zinc/17/09/07/1440170907.db2.gz QRVKZHVDXWNXNP-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001752818942 1440219445 /nfs/dbraw/zinc/21/94/45/1440219445.db2.gz MFOWKQDMSQEGAU-GOSISDBHSA-N 2 2 342.487 3.417 20 0 EGADLP CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001752818942 1440219446 /nfs/dbraw/zinc/21/94/46/1440219446.db2.gz MFOWKQDMSQEGAU-GOSISDBHSA-N 2 2 342.487 3.417 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752974000 1440255682 /nfs/dbraw/zinc/25/56/82/1440255682.db2.gz PBQVCFUDCKKGQW-IAGOWNOFSA-N 2 2 342.487 3.401 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993647 1440260977 /nfs/dbraw/zinc/26/09/77/1440260977.db2.gz KSJOLEQMKOYMQF-MJRGOJFPSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993647 1440260978 /nfs/dbraw/zinc/26/09/78/1440260978.db2.gz KSJOLEQMKOYMQF-MJRGOJFPSA-N 2 2 346.519 3.022 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029367 1440272406 /nfs/dbraw/zinc/27/24/06/1440272406.db2.gz CGSXZZXPPBTDEB-HZPDHXFCSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@@H](F)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029367 1440272407 /nfs/dbraw/zinc/27/24/07/1440272407.db2.gz CGSXZZXPPBTDEB-HZPDHXFCSA-N 2 2 346.450 3.285 20 0 EGADLP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001753603115 1440447129 /nfs/dbraw/zinc/44/71/29/1440447129.db2.gz NKHLOTUIZWJWQJ-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001753603115 1440447130 /nfs/dbraw/zinc/44/71/30/1440447130.db2.gz NKHLOTUIZWJWQJ-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001753603115 1440447131 /nfs/dbraw/zinc/44/71/31/1440447131.db2.gz NKHLOTUIZWJWQJ-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001753603115 1440447132 /nfs/dbraw/zinc/44/71/32/1440447132.db2.gz NKHLOTUIZWJWQJ-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)C[C@H](C[NH2+]CC1CCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753735795 1440477643 /nfs/dbraw/zinc/47/76/43/1440477643.db2.gz CULQTMJVQTZTLJ-QGZVFWFLSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001753739323 1440478548 /nfs/dbraw/zinc/47/85/48/1440478548.db2.gz BDSKMXLYYNIPON-FUHWJXTLSA-N 2 2 342.487 3.142 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001753745012 1440480622 /nfs/dbraw/zinc/48/06/22/1440480622.db2.gz AXZHCPDKBMSYHC-IBGZPJMESA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001753745012 1440480623 /nfs/dbraw/zinc/48/06/23/1440480623.db2.gz AXZHCPDKBMSYHC-IBGZPJMESA-N 2 2 346.519 3.187 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001754048768 1440535576 /nfs/dbraw/zinc/53/55/76/1440535576.db2.gz ZJTQZYAQNPBBOT-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001754048768 1440535577 /nfs/dbraw/zinc/53/55/77/1440535577.db2.gz ZJTQZYAQNPBBOT-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001754471454 1440605624 /nfs/dbraw/zinc/60/56/24/1440605624.db2.gz YYRADLJMVJZHRE-RTBURBONSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1)n1cc[nH+]c1 ZINC001754527932 1440621685 /nfs/dbraw/zinc/62/16/85/1440621685.db2.gz WADCIEGZHJICLW-MRXNPFEDSA-N 2 2 346.519 3.289 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568959 1440636728 /nfs/dbraw/zinc/63/67/28/1440636728.db2.gz IKHSGUHODHENMN-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568959 1440636729 /nfs/dbraw/zinc/63/67/29/1440636729.db2.gz IKHSGUHODHENMN-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001754630479 1440647634 /nfs/dbraw/zinc/64/76/34/1440647634.db2.gz ZAOJGJJXISQXDS-ROUUACIJSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H](C[NH2+]C(C)C)C1CCCC1)n1cc[nH+]c1 ZINC001754651221 1440651981 /nfs/dbraw/zinc/65/19/81/1440651981.db2.gz VBIFRZHWZGVAAT-MSOLQXFVSA-N 2 2 334.508 3.143 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754658918 1440654162 /nfs/dbraw/zinc/65/41/62/1440654162.db2.gz VSPHIGVXFTWCQN-QYZOEREBSA-N 2 2 346.519 3.192 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754658918 1440654163 /nfs/dbraw/zinc/65/41/63/1440654163.db2.gz VSPHIGVXFTWCQN-QYZOEREBSA-N 2 2 346.519 3.192 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001754706659 1440669279 /nfs/dbraw/zinc/66/92/79/1440669279.db2.gz DRGMAPCLZGXDMM-APWZRJJASA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754726767 1440676817 /nfs/dbraw/zinc/67/68/17/1440676817.db2.gz AYDTWWDVNBCACI-FQEVSTJZSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754726767 1440676818 /nfs/dbraw/zinc/67/68/18/1440676818.db2.gz AYDTWWDVNBCACI-FQEVSTJZSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754726767 1440676819 /nfs/dbraw/zinc/67/68/19/1440676819.db2.gz AYDTWWDVNBCACI-FQEVSTJZSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754726767 1440676820 /nfs/dbraw/zinc/67/68/20/1440676820.db2.gz AYDTWWDVNBCACI-FQEVSTJZSA-N 2 2 348.535 3.387 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001754944775 1440712467 /nfs/dbraw/zinc/71/24/67/1440712467.db2.gz KWVYDTXVDYCZRX-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193603 1440775708 /nfs/dbraw/zinc/77/57/08/1440775708.db2.gz CHABFOOPSWNZFQ-MRXNPFEDSA-N 2 2 342.487 3.307 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193603 1440775709 /nfs/dbraw/zinc/77/57/09/1440775709.db2.gz CHABFOOPSWNZFQ-MRXNPFEDSA-N 2 2 342.487 3.307 20 0 EGADLP CC(C)C[C@H](C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001755212640 1440783509 /nfs/dbraw/zinc/78/35/09/1440783509.db2.gz ACHKACQQHNGMKZ-DAWZGUTISA-N 2 2 348.535 3.391 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)C/C=C/c1ccccc1 ZINC001755308750 1440812328 /nfs/dbraw/zinc/81/23/28/1440812328.db2.gz YRAKENSLSIUTCG-JEJOPICUSA-N 2 2 348.450 3.098 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)C/C=C/c1ccccc1 ZINC001755308750 1440812329 /nfs/dbraw/zinc/81/23/29/1440812329.db2.gz YRAKENSLSIUTCG-JEJOPICUSA-N 2 2 348.450 3.098 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC001755309403 1440812597 /nfs/dbraw/zinc/81/25/97/1440812597.db2.gz ZJHVGYIGHUOMBR-INIZCTEOSA-N 2 2 325.456 3.257 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC001755309403 1440812598 /nfs/dbraw/zinc/81/25/98/1440812598.db2.gz ZJHVGYIGHUOMBR-INIZCTEOSA-N 2 2 325.456 3.257 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366251 1440834733 /nfs/dbraw/zinc/83/47/33/1440834733.db2.gz NVZVIYFEQINHKG-PYTPGESOSA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C\CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366251 1440834734 /nfs/dbraw/zinc/83/47/34/1440834734.db2.gz NVZVIYFEQINHKG-PYTPGESOSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H]1CCc2ccccc21 ZINC001755593194 1440881956 /nfs/dbraw/zinc/88/19/56/1440881956.db2.gz TZMIIJATNDDEKJ-LIRRHRJNSA-N 2 2 348.450 3.301 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001755613842 1440888034 /nfs/dbraw/zinc/88/80/34/1440888034.db2.gz IDNIWDXYBPWSJA-HOTGVXAUSA-N 2 2 342.487 3.075 20 0 EGADLP CC[C@@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1[nH+]ccn1C ZINC000368315006 168341391 /nfs/dbraw/zinc/34/13/91/168341391.db2.gz GZWWQDRMWJTGQM-QGZVFWFLSA-N 2 2 342.487 3.112 20 0 EGADLP CC[C@@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1[nH+]ccn1C ZINC000368315006 168341394 /nfs/dbraw/zinc/34/13/94/168341394.db2.gz GZWWQDRMWJTGQM-QGZVFWFLSA-N 2 2 342.487 3.112 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651300 231268943 /nfs/dbraw/zinc/26/89/43/231268943.db2.gz JISIAWTYPRZZEH-AWEZNQCLSA-N 2 2 330.432 3.048 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]1C ZINC000353933737 291122141 /nfs/dbraw/zinc/12/21/41/291122141.db2.gz QQDTTZWCHKDFQN-FRYIKTPZSA-N 2 2 344.499 3.391 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000193993582 240392836 /nfs/dbraw/zinc/39/28/36/240392836.db2.gz NFCDEWNXTUOPFL-ATZDWAIDSA-N 2 2 341.430 3.449 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1ccsc1 ZINC000345305495 299355958 /nfs/dbraw/zinc/35/59/58/299355958.db2.gz QIDTZQAGELAWKW-PNPHSEOMSA-N 2 2 344.484 3.027 20 0 EGADLP C[C@@H]([NH3+])C1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000230319695 242257462 /nfs/dbraw/zinc/25/74/62/242257462.db2.gz CGINUCJAUWYSRP-SECBINFHSA-N 2 2 333.220 3.287 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220475 243215420 /nfs/dbraw/zinc/21/54/20/243215420.db2.gz ZBVFRFSYNIIALP-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220475 243215424 /nfs/dbraw/zinc/21/54/24/243215424.db2.gz ZBVFRFSYNIIALP-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246220475 243215430 /nfs/dbraw/zinc/21/54/30/243215430.db2.gz ZBVFRFSYNIIALP-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246220475 243215433 /nfs/dbraw/zinc/21/54/33/243215433.db2.gz ZBVFRFSYNIIALP-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@H+](CCCNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000111806768 220194122 /nfs/dbraw/zinc/19/41/22/220194122.db2.gz CFRIJQWDSMQIKI-UHFFFAOYSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000111806768 220194125 /nfs/dbraw/zinc/19/41/25/220194125.db2.gz CFRIJQWDSMQIKI-UHFFFAOYSA-N 2 2 346.519 3.075 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+]CC[C@H](C)O)cc3)[nH+]c12 ZINC000265115907 247217184 /nfs/dbraw/zinc/21/71/84/247217184.db2.gz CCVXCUZBGUBAIN-INIZCTEOSA-N 2 2 339.439 3.082 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000377261717 169004131 /nfs/dbraw/zinc/00/41/31/169004131.db2.gz KKSXNJUTAVUVOG-SFHVURJKSA-N 2 2 346.519 3.076 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000377261717 169004132 /nfs/dbraw/zinc/00/41/32/169004132.db2.gz KKSXNJUTAVUVOG-SFHVURJKSA-N 2 2 346.519 3.076 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000377544652 169039347 /nfs/dbraw/zinc/03/93/47/169039347.db2.gz VMXIUWGCGKZYGZ-KDURUIRLSA-N 3 2 345.531 3.144 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1F ZINC000378372965 169108613 /nfs/dbraw/zinc/10/86/13/169108613.db2.gz SMMRXZHRLLWQHF-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1F ZINC000378372965 169108616 /nfs/dbraw/zinc/10/86/16/169108616.db2.gz SMMRXZHRLLWQHF-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488464 169129857 /nfs/dbraw/zinc/12/98/57/169129857.db2.gz AUDMKGARDZEDSQ-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488464 169129860 /nfs/dbraw/zinc/12/98/60/169129860.db2.gz AUDMKGARDZEDSQ-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488464 169129861 /nfs/dbraw/zinc/12/98/61/169129861.db2.gz AUDMKGARDZEDSQ-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488464 169129863 /nfs/dbraw/zinc/12/98/63/169129863.db2.gz AUDMKGARDZEDSQ-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683719 218242050 /nfs/dbraw/zinc/24/20/50/218242050.db2.gz AXKYYDVPCKLGND-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683719 218242052 /nfs/dbraw/zinc/24/20/52/218242052.db2.gz AXKYYDVPCKLGND-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP CO[C@H](C)c1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000267598863 251182448 /nfs/dbraw/zinc/18/24/48/251182448.db2.gz DBDOJQSQPGIFFM-CYBMUJFWSA-N 2 2 328.441 3.326 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncccc2N(C)C)CC1 ZINC000353609153 296329316 /nfs/dbraw/zinc/32/93/16/296329316.db2.gz AROODBQDXGMDRN-APWZRJJASA-N 2 2 330.520 3.280 20 0 EGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268791869 252242399 /nfs/dbraw/zinc/24/23/99/252242399.db2.gz YKDKKZRHLGEDCS-CRAIPNDOSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268791869 252242413 /nfs/dbraw/zinc/24/24/13/252242413.db2.gz YKDKKZRHLGEDCS-CRAIPNDOSA-N 2 2 330.497 3.126 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268795678 252248223 /nfs/dbraw/zinc/24/82/23/252248223.db2.gz FYOBMDMTENMKPY-LSDHHAIUSA-N 2 2 329.448 3.152 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000268820786 252270374 /nfs/dbraw/zinc/27/03/74/252270374.db2.gz NXOWLEXJWPXKDX-GJYPPUQNSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000268820786 252270378 /nfs/dbraw/zinc/27/03/78/252270378.db2.gz NXOWLEXJWPXKDX-GJYPPUQNSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000268839833 252287416 /nfs/dbraw/zinc/28/74/16/252287416.db2.gz VGEKPQLGMATYSJ-GFCCVEGCSA-N 2 2 344.850 3.085 20 0 EGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268859780 252308939 /nfs/dbraw/zinc/30/89/39/252308939.db2.gz JDNFFAJSGWTORT-IEBWSBKVSA-N 2 2 333.520 3.150 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158787827 532982938 /nfs/dbraw/zinc/98/29/38/532982938.db2.gz YHHIPHOAIYDSSY-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158787827 532982943 /nfs/dbraw/zinc/98/29/43/532982943.db2.gz YHHIPHOAIYDSSY-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158787827 532982945 /nfs/dbraw/zinc/98/29/45/532982945.db2.gz YHHIPHOAIYDSSY-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158787827 532982957 /nfs/dbraw/zinc/98/29/57/532982957.db2.gz YHHIPHOAIYDSSY-HDMKZQKVSA-N 2 2 347.528 3.152 20 0 EGADLP Cc1ncc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000097236841 219003468 /nfs/dbraw/zinc/00/34/68/219003468.db2.gz FXIOSHSCCZEFLH-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000097236841 219003471 /nfs/dbraw/zinc/00/34/71/219003471.db2.gz FXIOSHSCCZEFLH-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000119639478 221364997 /nfs/dbraw/zinc/36/49/97/221364997.db2.gz XJGFAEZHPGLDMM-GOSISDBHSA-N 2 2 338.455 3.076 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc[nH+]1 ZINC000119639478 221365000 /nfs/dbraw/zinc/36/50/00/221365000.db2.gz XJGFAEZHPGLDMM-GOSISDBHSA-N 2 2 338.455 3.076 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181098251 533241039 /nfs/dbraw/zinc/24/10/39/533241039.db2.gz LOECDTDEXSHRNT-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181098251 533241044 /nfs/dbraw/zinc/24/10/44/533241044.db2.gz LOECDTDEXSHRNT-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](CC1CC1)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000344461629 141157651 /nfs/dbraw/zinc/15/76/51/141157651.db2.gz QYTVCJNKIJOXBT-LJQANCHMSA-N 2 2 329.532 3.363 20 0 EGADLP Cc1ccc([C@@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)o1 ZINC000346617553 141205155 /nfs/dbraw/zinc/20/51/55/141205155.db2.gz GITNCGGYWQWHJS-LJQANCHMSA-N 2 2 337.423 3.044 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)CCn1cccn1 ZINC000346631003 141208177 /nfs/dbraw/zinc/20/81/77/141208177.db2.gz ZVECQRYPNOPMHA-UYAOXDASSA-N 2 2 328.504 3.408 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)CCn1cccn1 ZINC000346631003 141208179 /nfs/dbraw/zinc/20/81/79/141208179.db2.gz ZVECQRYPNOPMHA-UYAOXDASSA-N 2 2 328.504 3.408 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccccc2F)s1)C1CC[NH+](CCO)CC1 ZINC000353355620 141293704 /nfs/dbraw/zinc/29/37/04/141293704.db2.gz QIHIZWOIVNDFPY-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccccc2F)s1)C1CC[NH+](CCO)CC1 ZINC000353355620 141293705 /nfs/dbraw/zinc/29/37/05/141293705.db2.gz QIHIZWOIVNDFPY-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000359620214 141388290 /nfs/dbraw/zinc/38/82/90/141388290.db2.gz QHAVNHQEGSMKQM-QGZVFWFLSA-N 2 2 341.503 3.411 20 0 EGADLP CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000185235282 144108187 /nfs/dbraw/zinc/10/81/87/144108187.db2.gz IONLXEVKVXKYJP-LJQANCHMSA-N 2 2 329.444 3.330 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187248427 144155529 /nfs/dbraw/zinc/15/55/29/144155529.db2.gz ASVOUHPCWCVWEA-GOSISDBHSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187248427 144155531 /nfs/dbraw/zinc/15/55/31/144155531.db2.gz ASVOUHPCWCVWEA-GOSISDBHSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344624223 144200908 /nfs/dbraw/zinc/20/09/08/144200908.db2.gz IIACVWDDAQDMNZ-BLLLJJGKSA-N 2 2 348.441 3.340 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344624223 144200911 /nfs/dbraw/zinc/20/09/11/144200911.db2.gz IIACVWDDAQDMNZ-BLLLJJGKSA-N 2 2 348.441 3.340 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000351483807 144267348 /nfs/dbraw/zinc/26/73/48/144267348.db2.gz PMGYSOAPGDIRGA-FDWYHIAWSA-N 2 2 346.515 3.013 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000351483807 144267350 /nfs/dbraw/zinc/26/73/50/144267350.db2.gz PMGYSOAPGDIRGA-FDWYHIAWSA-N 2 2 346.515 3.013 20 0 EGADLP c1cn(Cc2ccc(NCc3cccc(-c4cccnc4)c3)[nH+]c2)c[nH+]1 ZINC000351564619 144280345 /nfs/dbraw/zinc/28/03/45/144280345.db2.gz GLGJJWOXLNXZMC-UHFFFAOYSA-N 2 2 341.418 3.422 20 0 EGADLP COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1Cl ZINC000351566318 144280425 /nfs/dbraw/zinc/28/04/25/144280425.db2.gz BYKPRGSQAPFMRL-UHFFFAOYSA-N 2 2 328.803 3.022 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351866342 144317807 /nfs/dbraw/zinc/31/78/07/144317807.db2.gz RLOGPMVIMMBDEF-SCRDCRAPSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351866342 144317808 /nfs/dbraw/zinc/31/78/08/144317808.db2.gz RLOGPMVIMMBDEF-SCRDCRAPSA-N 2 2 334.851 3.044 20 0 EGADLP Cc1ccc2nc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cn2c1 ZINC000341073167 155140299 /nfs/dbraw/zinc/14/02/99/155140299.db2.gz BCDKMVIEPNMWOF-UHFFFAOYSA-N 2 2 331.423 3.177 20 0 EGADLP c1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[NH+]2CCCC2)cc1 ZINC000340518428 296618656 /nfs/dbraw/zinc/61/86/56/296618656.db2.gz JZMFCMVGPAJBOD-WCIQWLHISA-N 2 2 326.484 3.371 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521214 152015183 /nfs/dbraw/zinc/01/51/83/152015183.db2.gz IPMXBFJXFZRIGS-NVXWUHKLSA-N 2 2 334.508 3.457 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000115521214 152015184 /nfs/dbraw/zinc/01/51/84/152015184.db2.gz IPMXBFJXFZRIGS-NVXWUHKLSA-N 2 2 334.508 3.457 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000119750578 152225651 /nfs/dbraw/zinc/22/56/51/152225651.db2.gz SCEDKDJHNFOQLP-BHIYHBOVSA-N 2 2 332.488 3.125 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000119750578 152225654 /nfs/dbraw/zinc/22/56/54/152225654.db2.gz SCEDKDJHNFOQLP-BHIYHBOVSA-N 2 2 332.488 3.125 20 0 EGADLP CN(C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456270 152278138 /nfs/dbraw/zinc/27/81/38/152278138.db2.gz WZPDVJCXOZPKGJ-MOPGFXCFSA-N 2 2 327.472 3.137 20 0 EGADLP CN(C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456270 152278140 /nfs/dbraw/zinc/27/81/40/152278140.db2.gz WZPDVJCXOZPKGJ-MOPGFXCFSA-N 2 2 327.472 3.137 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)c[nH+]1 ZINC000121204961 152334368 /nfs/dbraw/zinc/33/43/68/152334368.db2.gz FFXXTBMORFKURD-HXUWFJFHSA-N 2 2 341.455 3.278 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191316271 153187147 /nfs/dbraw/zinc/18/71/47/153187147.db2.gz JGOUVOSKHFZXKJ-FQEVSTJZSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191316271 153187152 /nfs/dbraw/zinc/18/71/52/153187152.db2.gz JGOUVOSKHFZXKJ-FQEVSTJZSA-N 2 2 344.499 3.020 20 0 EGADLP COC(=O)C1([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CCCC1 ZINC000192117988 153243077 /nfs/dbraw/zinc/24/30/77/153243077.db2.gz HQJOVACMAUSYKG-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)C1([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CCCC1 ZINC000192117988 153243079 /nfs/dbraw/zinc/24/30/79/153243079.db2.gz HQJOVACMAUSYKG-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(O)c1 ZINC000194840863 153361042 /nfs/dbraw/zinc/36/10/42/153361042.db2.gz CLZWXNCQZVXQNA-SFHVURJKSA-N 2 2 339.483 3.255 20 0 EGADLP COC(=O)c1coc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311076522 154146626 /nfs/dbraw/zinc/14/66/26/154146626.db2.gz APMJLVOEGCCOQI-HXUWFJFHSA-N 2 2 342.439 3.068 20 0 EGADLP COC(=O)c1coc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311076522 154146628 /nfs/dbraw/zinc/14/66/28/154146628.db2.gz APMJLVOEGCCOQI-HXUWFJFHSA-N 2 2 342.439 3.068 20 0 EGADLP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)c(Br)c1 ZINC000311517076 154147538 /nfs/dbraw/zinc/14/75/38/154147538.db2.gz SORRKWKVGICKQA-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)c(Br)c1 ZINC000311517076 154147541 /nfs/dbraw/zinc/14/75/41/154147541.db2.gz SORRKWKVGICKQA-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336711387 154211898 /nfs/dbraw/zinc/21/18/98/154211898.db2.gz PUIPBLFOJGVSOA-UXHICEINSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336711387 154211899 /nfs/dbraw/zinc/21/18/99/154211899.db2.gz PUIPBLFOJGVSOA-UXHICEINSA-N 2 2 326.488 3.162 20 0 EGADLP c1cn(CCCC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)c[nH+]1 ZINC000338290416 154658085 /nfs/dbraw/zinc/65/80/85/154658085.db2.gz SFRBZFVFCBJYEH-LJQANCHMSA-N 2 2 335.492 3.309 20 0 EGADLP Brc1c[nH+]ccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000339970923 155056662 /nfs/dbraw/zinc/05/66/62/155056662.db2.gz DVEBWTMYESRMCG-UHFFFAOYSA-N 2 2 346.272 3.209 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347003761 156240315 /nfs/dbraw/zinc/24/03/15/156240315.db2.gz MDDPTCXFZRDKKJ-SWLSCSKDSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347003761 156240317 /nfs/dbraw/zinc/24/03/17/156240317.db2.gz MDDPTCXFZRDKKJ-SWLSCSKDSA-N 2 2 326.868 3.307 20 0 EGADLP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348873124 156270653 /nfs/dbraw/zinc/27/06/53/156270653.db2.gz DVOMNZVEUWHHNU-DFNIBXOVSA-N 2 2 328.435 3.068 20 0 EGADLP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348873124 156270656 /nfs/dbraw/zinc/27/06/56/156270656.db2.gz DVOMNZVEUWHHNU-DFNIBXOVSA-N 2 2 328.435 3.068 20 0 EGADLP C[NH+](Cc1cnn(-c2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348873124 156270658 /nfs/dbraw/zinc/27/06/58/156270658.db2.gz DVOMNZVEUWHHNU-DFNIBXOVSA-N 2 2 328.435 3.068 20 0 EGADLP C[NH+](Cc1cnn(-c2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348873124 156270661 /nfs/dbraw/zinc/27/06/61/156270661.db2.gz DVOMNZVEUWHHNU-DFNIBXOVSA-N 2 2 328.435 3.068 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[NH+](C)C ZINC000348940939 156294872 /nfs/dbraw/zinc/29/48/72/156294872.db2.gz LJEMJRNDNHKXGG-SFHVURJKSA-N 2 2 328.460 3.287 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2cn3cc(C)ccc3[nH+]2)o1 ZINC000349064735 156340726 /nfs/dbraw/zinc/34/07/26/156340726.db2.gz VYKGQVXCBJEXPS-UHFFFAOYSA-N 2 2 326.444 3.108 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130661 157035013 /nfs/dbraw/zinc/03/50/13/157035013.db2.gz SDRWZEVDHJXJGQ-HOTGVXAUSA-N 2 2 339.549 3.493 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@@H](C)C1 ZINC000362130661 157035016 /nfs/dbraw/zinc/03/50/16/157035016.db2.gz SDRWZEVDHJXJGQ-HOTGVXAUSA-N 2 2 339.549 3.493 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000365634386 157199155 /nfs/dbraw/zinc/19/91/55/157199155.db2.gz YLWWFEVEFYCIBZ-IBGZPJMESA-N 2 2 327.472 3.249 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000365634386 157199157 /nfs/dbraw/zinc/19/91/57/157199157.db2.gz YLWWFEVEFYCIBZ-IBGZPJMESA-N 2 2 327.472 3.249 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c(Cl)nc21 ZINC000368791960 157291744 /nfs/dbraw/zinc/29/17/44/157291744.db2.gz WGSITRNJEWCEOM-CVEARBPZSA-N 2 2 347.894 3.382 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c(Cl)nc21 ZINC000368791960 157291746 /nfs/dbraw/zinc/29/17/46/157291746.db2.gz WGSITRNJEWCEOM-CVEARBPZSA-N 2 2 347.894 3.382 20 0 EGADLP Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)c[nH+]1 ZINC000372442949 157333206 /nfs/dbraw/zinc/33/32/06/157333206.db2.gz CHJYKPDXPNWJKH-UHFFFAOYSA-N 2 2 330.476 3.039 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683427 162022579 /nfs/dbraw/zinc/02/25/79/162022579.db2.gz HGZFWVFZZQALSF-IBGZPJMESA-N 2 2 338.499 3.489 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683427 162022581 /nfs/dbraw/zinc/02/25/81/162022581.db2.gz HGZFWVFZZQALSF-IBGZPJMESA-N 2 2 338.499 3.489 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753154 162025455 /nfs/dbraw/zinc/02/54/55/162025455.db2.gz IBNDGDOROOCSTD-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753154 162025457 /nfs/dbraw/zinc/02/54/57/162025457.db2.gz IBNDGDOROOCSTD-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753154 162025458 /nfs/dbraw/zinc/02/54/58/162025458.db2.gz IBNDGDOROOCSTD-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753154 162025460 /nfs/dbraw/zinc/02/54/60/162025460.db2.gz IBNDGDOROOCSTD-MRXNPFEDSA-N 2 2 330.451 3.175 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111244204 162149847 /nfs/dbraw/zinc/14/98/47/162149847.db2.gz UPGAUMFLWZFSIP-INIZCTEOSA-N 2 2 326.444 3.164 20 0 EGADLP C[NH+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000125029037 162262137 /nfs/dbraw/zinc/26/21/37/162262137.db2.gz MLBUXCRMYAQHHB-UHFFFAOYSA-N 2 2 334.423 3.081 20 0 EGADLP CC[C@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218226 162267736 /nfs/dbraw/zinc/26/77/36/162267736.db2.gz MTMQWZAUHQFOKV-HOTGVXAUSA-N 2 2 342.487 3.008 20 0 EGADLP CC[C@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218226 162267739 /nfs/dbraw/zinc/26/77/39/162267739.db2.gz MTMQWZAUHQFOKV-HOTGVXAUSA-N 2 2 342.487 3.008 20 0 EGADLP CC[C@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218226 162267741 /nfs/dbraw/zinc/26/77/41/162267741.db2.gz MTMQWZAUHQFOKV-HOTGVXAUSA-N 2 2 342.487 3.008 20 0 EGADLP CC[C@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218226 162267744 /nfs/dbraw/zinc/26/77/44/162267744.db2.gz MTMQWZAUHQFOKV-HOTGVXAUSA-N 2 2 342.487 3.008 20 0 EGADLP COc1cccc(C[N@H+](CCCn2cc[nH+]c2)C2CCC(O)CC2)c1 ZINC000305780795 163082003 /nfs/dbraw/zinc/08/20/03/163082003.db2.gz OKZGWAMXFMQKJL-UHFFFAOYSA-N 2 2 343.471 3.088 20 0 EGADLP COc1cccc(C[N@@H+](CCCn2cc[nH+]c2)C2CCC(O)CC2)c1 ZINC000305780795 163082006 /nfs/dbraw/zinc/08/20/06/163082006.db2.gz OKZGWAMXFMQKJL-UHFFFAOYSA-N 2 2 343.471 3.088 20 0 EGADLP Clc1ccc(C[C@@]2([NH2+]Cc3cccc4[nH+]ccn43)CCOC2)cc1 ZINC000337235975 163173934 /nfs/dbraw/zinc/17/39/34/163173934.db2.gz AYSIVGZTFSTUNM-IBGZPJMESA-N 2 2 341.842 3.479 20 0 EGADLP COc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000338273283 163202287 /nfs/dbraw/zinc/20/22/87/163202287.db2.gz FFFLMNOZEZDXIJ-RPVQJOFSSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000338273283 163202292 /nfs/dbraw/zinc/20/22/92/163202292.db2.gz FFFLMNOZEZDXIJ-RPVQJOFSSA-N 2 2 338.879 3.032 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[NH+](C)C ZINC000338723013 163330872 /nfs/dbraw/zinc/33/08/72/163330872.db2.gz TWJCGPYRFFODEZ-HNNXBMFYSA-N 2 2 338.521 3.044 20 0 EGADLP CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682618 164012006 /nfs/dbraw/zinc/01/20/06/164012006.db2.gz ROHPHSYCLOICRM-FOIQADDNSA-N 2 2 341.455 3.278 20 0 EGADLP CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682618 164012008 /nfs/dbraw/zinc/01/20/08/164012008.db2.gz ROHPHSYCLOICRM-FOIQADDNSA-N 2 2 341.455 3.278 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000343716697 164018457 /nfs/dbraw/zinc/01/84/57/164018457.db2.gz JGNQVALIQSOQRW-CYBMUJFWSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000343716697 164018459 /nfs/dbraw/zinc/01/84/59/164018459.db2.gz JGNQVALIQSOQRW-CYBMUJFWSA-N 2 2 327.925 3.002 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCC3)C2 ZINC000344160454 164116585 /nfs/dbraw/zinc/11/65/85/164116585.db2.gz DVXYJNZFCTWFLE-LBTBCDHLSA-N 2 2 329.488 3.043 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000345685400 164242369 /nfs/dbraw/zinc/24/23/69/164242369.db2.gz QZOWWHMBDMBENU-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000345685400 164242372 /nfs/dbraw/zinc/24/23/72/164242372.db2.gz QZOWWHMBDMBENU-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744555 164257116 /nfs/dbraw/zinc/25/71/16/164257116.db2.gz YTULQINIIGUFDD-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744555 164257118 /nfs/dbraw/zinc/25/71/18/164257118.db2.gz YTULQINIIGUFDD-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000345744555 164257120 /nfs/dbraw/zinc/25/71/20/164257120.db2.gz YTULQINIIGUFDD-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345744555 164257121 /nfs/dbraw/zinc/25/71/21/164257121.db2.gz YTULQINIIGUFDD-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccsc1 ZINC000346150530 164350220 /nfs/dbraw/zinc/35/02/20/164350220.db2.gz NRRBKDNUUUSVPZ-GOEBONIOSA-N 2 2 346.500 3.090 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccsc1 ZINC000346150530 164350223 /nfs/dbraw/zinc/35/02/23/164350223.db2.gz NRRBKDNUUUSVPZ-GOEBONIOSA-N 2 2 346.500 3.090 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccsc1 ZINC000346150528 164350537 /nfs/dbraw/zinc/35/05/37/164350537.db2.gz NRRBKDNUUUSVPZ-GDBMZVCRSA-N 2 2 346.500 3.090 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccsc1 ZINC000346150528 164350538 /nfs/dbraw/zinc/35/05/38/164350538.db2.gz NRRBKDNUUUSVPZ-GDBMZVCRSA-N 2 2 346.500 3.090 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503827 164388240 /nfs/dbraw/zinc/38/82/40/164388240.db2.gz WMGZJUXVBKXZRQ-FOIQADDNSA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503827 164388243 /nfs/dbraw/zinc/38/82/43/164388243.db2.gz WMGZJUXVBKXZRQ-FOIQADDNSA-N 2 2 325.431 3.384 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000355209816 166134941 /nfs/dbraw/zinc/13/49/41/166134941.db2.gz KJMUCUOMEHONNR-JCGIZDLHSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000355209816 166134943 /nfs/dbraw/zinc/13/49/43/166134943.db2.gz KJMUCUOMEHONNR-JCGIZDLHSA-N 2 2 338.879 3.032 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355267225 166150180 /nfs/dbraw/zinc/15/01/80/166150180.db2.gz RHMUQLAARDRFPX-WBVHZDCISA-N 2 2 329.444 3.374 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355267225 166150182 /nfs/dbraw/zinc/15/01/82/166150182.db2.gz RHMUQLAARDRFPX-WBVHZDCISA-N 2 2 329.444 3.374 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000355278074 166152598 /nfs/dbraw/zinc/15/25/98/166152598.db2.gz XSAVOBNIEOXZIB-UKRRQHHQSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000355278074 166152602 /nfs/dbraw/zinc/15/26/02/166152602.db2.gz XSAVOBNIEOXZIB-UKRRQHHQSA-N 2 2 327.457 3.418 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355284497 166153418 /nfs/dbraw/zinc/15/34/18/166153418.db2.gz AZNBIFPYQYXIJP-QGZVFWFLSA-N 2 2 334.423 3.185 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355284497 166153421 /nfs/dbraw/zinc/15/34/21/166153421.db2.gz AZNBIFPYQYXIJP-QGZVFWFLSA-N 2 2 334.423 3.185 20 0 EGADLP CC(C)Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355292418 166155149 /nfs/dbraw/zinc/15/51/49/166155149.db2.gz PAVXXYKYLJRIAV-NHCUHLMSSA-N 2 2 338.499 3.103 20 0 EGADLP CC[C@H](C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000355963090 166360835 /nfs/dbraw/zinc/36/08/35/166360835.db2.gz UGKBIDOEIXHUPP-SJORKVTESA-N 2 2 328.460 3.134 20 0 EGADLP CC[C@H](C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963090 166360837 /nfs/dbraw/zinc/36/08/37/166360837.db2.gz UGKBIDOEIXHUPP-SJORKVTESA-N 2 2 328.460 3.134 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000359276243 167113155 /nfs/dbraw/zinc/11/31/55/167113155.db2.gz DAJQYUBSPXFENL-MRXNPFEDSA-N 2 2 329.492 3.267 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513326 167176479 /nfs/dbraw/zinc/17/64/79/167176479.db2.gz FBOHDQLSKVYENA-YJBOKZPZSA-N 2 2 326.431 3.362 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513326 167176482 /nfs/dbraw/zinc/17/64/82/167176482.db2.gz FBOHDQLSKVYENA-YJBOKZPZSA-N 2 2 326.431 3.362 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000360238643 167279474 /nfs/dbraw/zinc/27/94/74/167279474.db2.gz OKXJOJISAXNXBP-KRWDZBQOSA-N 2 2 336.907 3.286 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000365718560 168038520 /nfs/dbraw/zinc/03/85/20/168038520.db2.gz QBUCRHMGRXFRIG-HNNXBMFYSA-N 2 2 342.439 3.381 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000366082992 168081127 /nfs/dbraw/zinc/08/11/27/168081127.db2.gz BWFFKBYYLZBHID-YZGWKJHDSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000366082992 168081129 /nfs/dbraw/zinc/08/11/29/168081129.db2.gz BWFFKBYYLZBHID-YZGWKJHDSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000366082992 168081130 /nfs/dbraw/zinc/08/11/30/168081130.db2.gz BWFFKBYYLZBHID-YZGWKJHDSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000366082992 168081131 /nfs/dbraw/zinc/08/11/31/168081131.db2.gz BWFFKBYYLZBHID-YZGWKJHDSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000368030615 168300703 /nfs/dbraw/zinc/30/07/03/168300703.db2.gz OLWAXBNKAXQGQX-AWEZNQCLSA-N 2 2 337.533 3.331 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000677845589 549341598 /nfs/dbraw/zinc/34/15/98/549341598.db2.gz IJOGPLQMZXLXDH-AEFFLSMTSA-N 2 2 334.504 3.489 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000159122170 225151406 /nfs/dbraw/zinc/15/14/06/225151406.db2.gz VOVBSDIEUOEZMY-GFCCVEGCSA-N 2 2 330.394 3.255 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000123775128 222330096 /nfs/dbraw/zinc/33/00/96/222330096.db2.gz ABXAVBGDQXEWNB-UHFFFAOYSA-N 2 2 326.488 3.392 20 0 EGADLP Cc1cccc2[nH+]c(CNC(=O)Nc3cccc(C[NH+](C)C)c3)cn21 ZINC000171733387 227254302 /nfs/dbraw/zinc/25/43/02/227254302.db2.gz ZTQGXIRFKXYDHS-UHFFFAOYSA-N 2 2 337.427 3.026 20 0 EGADLP COCCOc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000185684685 265499492 /nfs/dbraw/zinc/49/94/92/265499492.db2.gz YUJIWLSOHXCVLR-DYESRHJHSA-N 2 2 342.483 3.493 20 0 EGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193155208 266015043 /nfs/dbraw/zinc/01/50/43/266015043.db2.gz BHCCNTRJXRKOTD-CABCVRRESA-N 2 2 328.909 3.259 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCC(C)C ZINC000194535198 266125953 /nfs/dbraw/zinc/12/59/53/266125953.db2.gz GOACSZCATZEJJX-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCC(C)C ZINC000194535198 266125956 /nfs/dbraw/zinc/12/59/56/266125956.db2.gz GOACSZCATZEJJX-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OCC(C)C ZINC000194535198 266125958 /nfs/dbraw/zinc/12/59/58/266125958.db2.gz GOACSZCATZEJJX-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OCC(C)C ZINC000194535198 266125961 /nfs/dbraw/zinc/12/59/61/266125961.db2.gz GOACSZCATZEJJX-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349901 266281178 /nfs/dbraw/zinc/28/11/78/266281178.db2.gz FRCRNVRIGBKXNN-CZUORRHYSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349901 266281181 /nfs/dbraw/zinc/28/11/81/266281181.db2.gz FRCRNVRIGBKXNN-CZUORRHYSA-N 2 2 344.846 3.048 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)n2c1 ZINC000271174303 266615469 /nfs/dbraw/zinc/61/54/69/266615469.db2.gz GTNQLXKQEVGPFG-HNNXBMFYSA-N 2 2 332.879 3.296 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000271567693 266687990 /nfs/dbraw/zinc/68/79/90/266687990.db2.gz PEITZDZJZPDMPQ-SFHVURJKSA-N 2 2 331.504 3.323 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000274409636 267231725 /nfs/dbraw/zinc/23/17/25/267231725.db2.gz OGXROOQSYLCLLT-CQSZACIVSA-N 2 2 344.459 3.184 20 0 EGADLP Cc1noc(CCC[NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000274838272 267294834 /nfs/dbraw/zinc/29/48/34/267294834.db2.gz LMGIKFJONWRBCP-GOSISDBHSA-N 2 2 330.476 3.057 20 0 EGADLP Cc1noc(CCC[NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000274838272 267294836 /nfs/dbraw/zinc/29/48/36/267294836.db2.gz LMGIKFJONWRBCP-GOSISDBHSA-N 2 2 330.476 3.057 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489192 268025008 /nfs/dbraw/zinc/02/50/08/268025008.db2.gz BIMZPVJQFWNTRU-CEMLEFRQSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489192 268025010 /nfs/dbraw/zinc/02/50/10/268025010.db2.gz BIMZPVJQFWNTRU-CEMLEFRQSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278523135 268031382 /nfs/dbraw/zinc/03/13/82/268031382.db2.gz SPRQWSKHFHWWBA-AEFFLSMTSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278523135 268031386 /nfs/dbraw/zinc/03/13/86/268031386.db2.gz SPRQWSKHFHWWBA-AEFFLSMTSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc(CC(C)C)no2)CC1 ZINC000278534005 268033315 /nfs/dbraw/zinc/03/33/15/268033315.db2.gz FMNAVVHFNJGIPO-UHFFFAOYSA-N 2 2 330.432 3.015 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538396 268034837 /nfs/dbraw/zinc/03/48/37/268034837.db2.gz NWDVWNMJSCHHPC-STQMWFEESA-N 2 2 330.394 3.255 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538396 268034838 /nfs/dbraw/zinc/03/48/38/268034838.db2.gz NWDVWNMJSCHHPC-STQMWFEESA-N 2 2 330.394 3.255 20 0 EGADLP CCO[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000278559122 268038687 /nfs/dbraw/zinc/03/86/87/268038687.db2.gz WKYPCNJPZFPYMT-IBGZPJMESA-N 2 2 325.456 3.418 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc12 ZINC000185687946 275215973 /nfs/dbraw/zinc/21/59/73/275215973.db2.gz WNJGWFIFOCKMFK-DNVCBOLYSA-N 2 2 337.471 3.058 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000274891029 275248299 /nfs/dbraw/zinc/24/82/99/275248299.db2.gz JIEJMAVLIMETTN-LNLFQRSKSA-N 2 2 349.482 3.291 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000274891029 275248300 /nfs/dbraw/zinc/24/83/00/275248300.db2.gz JIEJMAVLIMETTN-LNLFQRSKSA-N 2 2 349.482 3.291 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4occc43)[nH+]c2)C1 ZINC000278696483 275266435 /nfs/dbraw/zinc/26/64/35/275266435.db2.gz KUQMTOVDMOQSPM-RDJZCZTQSA-N 2 2 326.444 3.304 20 0 EGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC(F)F)c1 ZINC000278760482 275272465 /nfs/dbraw/zinc/27/24/65/275272465.db2.gz OPGBLPXLAPEGIY-AGUYFDCRSA-N 2 2 326.387 3.011 20 0 EGADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC(F)F)c1 ZINC000278760482 275272466 /nfs/dbraw/zinc/27/24/66/275272466.db2.gz OPGBLPXLAPEGIY-AGUYFDCRSA-N 2 2 326.387 3.011 20 0 EGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000278977263 275292887 /nfs/dbraw/zinc/29/28/87/275292887.db2.gz OGKMKIBBNUEGHV-CMKODMSKSA-N 2 2 327.472 3.497 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279126102 275305944 /nfs/dbraw/zinc/30/59/44/275305944.db2.gz DIWUBBVRIOHDET-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279126102 275305946 /nfs/dbraw/zinc/30/59/46/275305946.db2.gz DIWUBBVRIOHDET-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP CC(C)n1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000279352860 275324753 /nfs/dbraw/zinc/32/47/53/275324753.db2.gz GIYVKWZIDVYSNA-UHFFFAOYSA-N 2 2 327.476 3.376 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)no1 ZINC000279536177 275338160 /nfs/dbraw/zinc/33/81/60/275338160.db2.gz HUZCLVWLEAYLLB-HOTGVXAUSA-N 2 2 329.444 3.055 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)no1 ZINC000279536177 275338162 /nfs/dbraw/zinc/33/81/62/275338162.db2.gz HUZCLVWLEAYLLB-HOTGVXAUSA-N 2 2 329.444 3.055 20 0 EGADLP CCc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279733826 275354466 /nfs/dbraw/zinc/35/44/66/275354466.db2.gz WJNCTDFJXKKAKI-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279733826 275354467 /nfs/dbraw/zinc/35/44/67/275354467.db2.gz WJNCTDFJXKKAKI-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279733826 275354468 /nfs/dbraw/zinc/35/44/68/275354468.db2.gz WJNCTDFJXKKAKI-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279733826 275354469 /nfs/dbraw/zinc/35/44/69/275354469.db2.gz WJNCTDFJXKKAKI-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000279806044 275361179 /nfs/dbraw/zinc/36/11/79/275361179.db2.gz WYLTYKUSDJQCTG-VQTJNVASSA-N 2 2 335.451 3.346 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000279806044 275361181 /nfs/dbraw/zinc/36/11/81/275361181.db2.gz WYLTYKUSDJQCTG-VQTJNVASSA-N 2 2 335.451 3.346 20 0 EGADLP Brc1ccc2[nH+]ccc(N3CCn4c[nH+]cc4C3)c2c1 ZINC000370677508 275373013 /nfs/dbraw/zinc/37/30/13/275373013.db2.gz OLHXPVUWJFNIEH-UHFFFAOYSA-N 2 2 329.201 3.214 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCc1cc[nH+]cc1C ZINC000286609147 276022927 /nfs/dbraw/zinc/02/29/27/276022927.db2.gz RMESIDTWWGSJCR-UHFFFAOYSA-N 2 2 341.846 3.265 20 0 EGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000287086033 276081541 /nfs/dbraw/zinc/08/15/41/276081541.db2.gz VQWSOBFBQGOXLF-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000287086033 276081542 /nfs/dbraw/zinc/08/15/42/276081542.db2.gz VQWSOBFBQGOXLF-HXUWFJFHSA-N 2 2 339.483 3.481 20 0 EGADLP COCCC[C@H]([NH2+]CC[NH+](C)C)c1ccc(Br)cc1 ZINC000287138648 276088468 /nfs/dbraw/zinc/08/84/68/276088468.db2.gz SCCQZKXMSFHUNO-HNNXBMFYSA-N 2 2 329.282 3.068 20 0 EGADLP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000287535785 276130009 /nfs/dbraw/zinc/13/00/09/276130009.db2.gz DUVGGSKMEZTNBT-JKSUJKDBSA-N 2 2 339.361 3.131 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000287720483 276150700 /nfs/dbraw/zinc/15/07/00/276150700.db2.gz OPNHEMFJMDQOKY-PMPSAXMXSA-N 2 2 330.394 3.297 20 0 EGADLP COc1ccncc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000287927618 276169995 /nfs/dbraw/zinc/16/99/95/276169995.db2.gz WNPUWMOGSNQXDK-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccncc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000287927618 276169996 /nfs/dbraw/zinc/16/99/96/276169996.db2.gz WNPUWMOGSNQXDK-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000288463365 276216547 /nfs/dbraw/zinc/21/65/47/276216547.db2.gz OIFIFNQQGQWWNW-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000288463365 276216549 /nfs/dbraw/zinc/21/65/49/276216549.db2.gz OIFIFNQQGQWWNW-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CCOC(C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979556 276306766 /nfs/dbraw/zinc/30/67/66/276306766.db2.gz MWLHZKIQCFCKSD-IEBWSBKVSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979556 276306767 /nfs/dbraw/zinc/30/67/67/276306767.db2.gz MWLHZKIQCFCKSD-IEBWSBKVSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979556 276306768 /nfs/dbraw/zinc/30/67/68/276306768.db2.gz MWLHZKIQCFCKSD-IEBWSBKVSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979556 276306769 /nfs/dbraw/zinc/30/67/69/276306769.db2.gz MWLHZKIQCFCKSD-IEBWSBKVSA-N 2 2 334.504 3.370 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000289280666 276315742 /nfs/dbraw/zinc/31/57/42/276315742.db2.gz OPRVBIGTKBCECV-KRWDZBQOSA-N 2 2 338.373 3.362 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCc1cccnc1 ZINC000289470395 276344196 /nfs/dbraw/zinc/34/41/96/276344196.db2.gz PJVJFUIJNKJCAU-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCc1cccnc1 ZINC000289470395 276344197 /nfs/dbraw/zinc/34/41/97/276344197.db2.gz PJVJFUIJNKJCAU-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289476363 276344883 /nfs/dbraw/zinc/34/48/83/276344883.db2.gz ZMNRAUCZAAWFLK-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289476363 276344885 /nfs/dbraw/zinc/34/48/85/276344885.db2.gz ZMNRAUCZAAWFLK-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nncn1C ZINC000289537499 276354783 /nfs/dbraw/zinc/35/47/83/276354783.db2.gz QGZCOZFGSXVBHK-QRQLOZEOSA-N 2 2 341.503 3.155 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nncn1C ZINC000289537499 276354784 /nfs/dbraw/zinc/35/47/84/276354784.db2.gz QGZCOZFGSXVBHK-QRQLOZEOSA-N 2 2 341.503 3.155 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000289651717 276372320 /nfs/dbraw/zinc/37/23/20/276372320.db2.gz LNBHKFXYUKQKJJ-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(Br)c1 ZINC000289651717 276372323 /nfs/dbraw/zinc/37/23/23/276372323.db2.gz LNBHKFXYUKQKJJ-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCn1cc[nH+]c1 ZINC000289781477 276393409 /nfs/dbraw/zinc/39/34/09/276393409.db2.gz PZRUIAAPRSIOAC-LBPRGKRZSA-N 2 2 340.240 3.396 20 0 EGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000290037557 276437983 /nfs/dbraw/zinc/43/79/83/276437983.db2.gz SGDPMBJZZDATSZ-ZWKOTPCHSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000290429625 276494445 /nfs/dbraw/zinc/49/44/45/276494445.db2.gz RPPDTKQAYUCWHK-QGZVFWFLSA-N 2 2 333.476 3.216 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4c3cccc4F)[nH+]c2)C1 ZINC000346983541 276874276 /nfs/dbraw/zinc/87/42/76/276874276.db2.gz ZPVUEVPQHFPPHT-KXBFYZLASA-N 2 2 340.446 3.460 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187235 278384729 /nfs/dbraw/zinc/38/47/29/278384729.db2.gz PYFGBTCPKMLLFL-AEFFLSMTSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187235 278384730 /nfs/dbraw/zinc/38/47/30/278384730.db2.gz PYFGBTCPKMLLFL-AEFFLSMTSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000343895298 280047671 /nfs/dbraw/zinc/04/76/71/280047671.db2.gz VSYZNMRHLDSLSJ-TZMCWYRMSA-N 2 2 328.460 3.197 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1CCCc2nn(C)cc21)[N@@H+]1CCc2ccccc2C1 ZINC000358911941 280146305 /nfs/dbraw/zinc/14/63/05/280146305.db2.gz DSWHDJORVMBUOT-ICSRJNTNSA-N 2 2 338.499 3.224 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1CCCc2nn(C)cc21)[N@H+]1CCc2ccccc2C1 ZINC000358911941 280146310 /nfs/dbraw/zinc/14/63/10/280146310.db2.gz DSWHDJORVMBUOT-ICSRJNTNSA-N 2 2 338.499 3.224 20 0 EGADLP Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(C[NH+](C)C)CC3)nc(=O)c2c1C ZINC000354505616 294083545 /nfs/dbraw/zinc/08/35/45/294083545.db2.gz UGWMSUOWBOHLIY-GFCCVEGCSA-N 2 2 348.516 3.348 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1[C@@H]([NH2+]C2CCC(C)(C)CC2)CCC(=O)N1C1CC1 ZINC000344879918 303029421 /nfs/dbraw/zinc/02/94/21/303029421.db2.gz UDCTXQJEOWZYBI-LPHOPBHVSA-N 2 2 344.503 3.173 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414112707 309061669 /nfs/dbraw/zinc/06/16/69/309061669.db2.gz KAKXQYXGSKTZNB-BHIYHBOVSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414112707 309061670 /nfs/dbraw/zinc/06/16/70/309061670.db2.gz KAKXQYXGSKTZNB-BHIYHBOVSA-N 2 2 335.923 3.202 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000414115674 309061842 /nfs/dbraw/zinc/06/18/42/309061842.db2.gz NIPXLJVJVKMWMA-CVEARBPZSA-N 2 2 345.512 3.429 20 0 EGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCC1CCCC1 ZINC000136040850 307708645 /nfs/dbraw/zinc/70/86/45/307708645.db2.gz CCLUAEMOQVFFJY-UHFFFAOYSA-N 2 2 340.471 3.047 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)cnc21 ZINC000157589153 307848440 /nfs/dbraw/zinc/84/84/40/307848440.db2.gz VTPKHTSSIUBEJL-UHFFFAOYSA-N 2 2 327.476 3.072 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000249783746 308028552 /nfs/dbraw/zinc/02/85/52/308028552.db2.gz LSYKFHCGTADRHB-JBACZVJFSA-N 2 2 328.500 3.151 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000249783746 308028554 /nfs/dbraw/zinc/02/85/54/308028554.db2.gz LSYKFHCGTADRHB-JBACZVJFSA-N 2 2 328.500 3.151 20 0 EGADLP CCc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293396748 308126825 /nfs/dbraw/zinc/12/68/25/308126825.db2.gz QXKNMLBDNDTEAG-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP CCc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293396748 308126826 /nfs/dbraw/zinc/12/68/26/308126826.db2.gz QXKNMLBDNDTEAG-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[NH+]3CCC(C)CC3)ccc2n1C1CC1 ZINC000293484545 308134896 /nfs/dbraw/zinc/13/48/96/308134896.db2.gz ACZOOMYOJCPGGR-UHFFFAOYSA-N 2 2 340.471 3.028 20 0 EGADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000293595428 308145274 /nfs/dbraw/zinc/14/52/74/308145274.db2.gz ONUPNVSDAHAUAN-MOPGFXCFSA-N 2 2 330.497 3.029 20 0 EGADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000293595428 308145275 /nfs/dbraw/zinc/14/52/75/308145275.db2.gz ONUPNVSDAHAUAN-MOPGFXCFSA-N 2 2 330.497 3.029 20 0 EGADLP CCc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2)[NH+](CC)CC)cc1 ZINC000294489933 308226000 /nfs/dbraw/zinc/22/60/00/308226000.db2.gz JPPKVRJAXLEJGL-IBGZPJMESA-N 2 2 342.487 3.035 20 0 EGADLP Fc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(F)cn1 ZINC000294707298 308247953 /nfs/dbraw/zinc/24/79/53/308247953.db2.gz BEIIFCXXQBRUIX-INIZCTEOSA-N 2 2 331.410 3.014 20 0 EGADLP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)cn1 ZINC000294707298 308247955 /nfs/dbraw/zinc/24/79/55/308247955.db2.gz BEIIFCXXQBRUIX-INIZCTEOSA-N 2 2 331.410 3.014 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294884931 308267871 /nfs/dbraw/zinc/26/78/71/308267871.db2.gz QZZHCVKKYSITKY-QGZVFWFLSA-N 2 2 329.488 3.260 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CSC[C@@H]1C ZINC000294889460 308268009 /nfs/dbraw/zinc/26/80/09/308268009.db2.gz RGGRLGLGYKONGI-YOEHRIQHSA-N 2 2 335.517 3.001 20 0 EGADLP COCC1CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CC1 ZINC000294909936 308270551 /nfs/dbraw/zinc/27/05/51/308270551.db2.gz AEARVWIRYXGCPI-UHFFFAOYSA-N 2 2 346.519 3.229 20 0 EGADLP CC[C@@](C[NH2+]CCCc1c[nH+]ccc1C)(C(=O)OC)c1ccccc1 ZINC000414587959 309090895 /nfs/dbraw/zinc/09/08/95/309090895.db2.gz NKUBRONIIIQKHJ-NRFANRHFSA-N 2 2 340.467 3.433 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000295933702 308376175 /nfs/dbraw/zinc/37/61/75/308376175.db2.gz KNVUCUORKJAZES-GOSISDBHSA-N 2 2 325.460 3.246 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1Br ZINC000296140434 308397863 /nfs/dbraw/zinc/39/78/63/308397863.db2.gz VDDZIIIYAKZZBT-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1Br ZINC000296140434 308397864 /nfs/dbraw/zinc/39/78/64/308397864.db2.gz VDDZIIIYAKZZBT-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414658696 309093934 /nfs/dbraw/zinc/09/39/34/309093934.db2.gz RCWTXWVPGDTQFY-JJTKIYQPSA-N 2 2 328.435 3.035 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414658696 309093935 /nfs/dbraw/zinc/09/39/35/309093935.db2.gz RCWTXWVPGDTQFY-JJTKIYQPSA-N 2 2 328.435 3.035 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000414667201 309094590 /nfs/dbraw/zinc/09/45/90/309094590.db2.gz XSEOCBXOTJEXBP-HXUWFJFHSA-N 2 2 339.483 3.461 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000414667201 309094591 /nfs/dbraw/zinc/09/45/91/309094591.db2.gz XSEOCBXOTJEXBP-HXUWFJFHSA-N 2 2 339.483 3.461 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000297461318 308536147 /nfs/dbraw/zinc/53/61/47/308536147.db2.gz XWGRTOHUYKXJDU-UHFFFAOYSA-N 2 2 347.846 3.301 20 0 EGADLP C[NH2+]CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1 ZINC000414820754 309103651 /nfs/dbraw/zinc/10/36/51/309103651.db2.gz DDLVVDGNKRBDRP-UHFFFAOYSA-N 2 2 334.467 3.216 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298223401 308594990 /nfs/dbraw/zinc/59/49/90/308594990.db2.gz AQTIFJIIGRKPHJ-UHFFFAOYSA-N 3 2 349.482 3.388 20 0 EGADLP c1c(C[NH2+]C[C@@H]2CCC[NH2+]2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414820414 309103670 /nfs/dbraw/zinc/10/36/70/309103670.db2.gz AUZVJTQPECNFEJ-NRFANRHFSA-N 2 2 346.478 3.440 20 0 EGADLP CCC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000301089245 308687871 /nfs/dbraw/zinc/68/78/71/308687871.db2.gz MOXWZXLWYRTTNQ-UHFFFAOYSA-N 2 2 336.443 3.102 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414844909 309105163 /nfs/dbraw/zinc/10/51/63/309105163.db2.gz DFVNAMUMKVXSBK-HZPDHXFCSA-N 3 2 335.923 3.282 20 0 EGADLP C[C@@H](C[NH3+])C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414872787 309106561 /nfs/dbraw/zinc/10/65/61/309106561.db2.gz GDEWOYPDTMGKFW-NSHDSACASA-N 2 2 325.865 3.060 20 0 EGADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414852224 309105715 /nfs/dbraw/zinc/10/57/15/309105715.db2.gz QNGOWIIREAUCAY-ZDUSSCGKSA-N 2 2 333.457 3.002 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CNCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000414854454 309105777 /nfs/dbraw/zinc/10/57/77/309105777.db2.gz ZKWOZTKSMAFWPU-OAHLLOKOSA-N 2 2 340.393 3.358 20 0 EGADLP C[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414857444 309105922 /nfs/dbraw/zinc/10/59/22/309105922.db2.gz PMPANIMTOGPPDB-GJZGRUSLSA-N 2 2 331.485 3.200 20 0 EGADLP C[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414857448 309106050 /nfs/dbraw/zinc/10/60/50/309106050.db2.gz PMPANIMTOGPPDB-LSDHHAIUSA-N 2 2 331.485 3.200 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414872207 309106584 /nfs/dbraw/zinc/10/65/84/309106584.db2.gz WBBLNGGNSAWPHX-SFHVURJKSA-N 2 2 326.440 3.116 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@@H]2CC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414889077 309107452 /nfs/dbraw/zinc/10/74/52/309107452.db2.gz SOKULUDLNQFKTL-CQSZACIVSA-N 2 2 332.879 3.410 20 0 EGADLP [NH3+][C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000414893530 309107711 /nfs/dbraw/zinc/10/77/11/309107711.db2.gz RMQUDUWOZDNMIT-SFHVURJKSA-N 2 2 343.858 3.419 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(-c2cnn(C)c2)c1 ZINC000414922530 309109394 /nfs/dbraw/zinc/10/93/94/309109394.db2.gz CTTADFYEOVKHPO-IBGZPJMESA-N 2 2 326.488 3.263 20 0 EGADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000414938938 309110146 /nfs/dbraw/zinc/11/01/46/309110146.db2.gz FRRNZARKZFCVJA-ZDUSSCGKSA-N 2 2 349.272 3.465 20 0 EGADLP Fc1cc(F)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414940968 309110313 /nfs/dbraw/zinc/11/03/13/309110313.db2.gz CECSSOXBYJHQAM-MAUKXSAKSA-N 2 2 338.348 3.478 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1OC ZINC000414950271 309110857 /nfs/dbraw/zinc/11/08/57/309110857.db2.gz DYQYVPROPZXASP-DNVCBOLYSA-N 2 2 340.467 3.111 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000414957812 309111449 /nfs/dbraw/zinc/11/14/49/309111449.db2.gz OTNXTOYKHILYND-APWZRJJASA-N 2 2 348.441 3.053 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414970037 309112283 /nfs/dbraw/zinc/11/22/83/309112283.db2.gz ZYGQZWAEPXKBJX-CYBMUJFWSA-N 2 2 340.393 3.038 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415011017 309114145 /nfs/dbraw/zinc/11/41/45/309114145.db2.gz VQSYBEJXSUHDAF-DOTOQJQBSA-N 3 2 335.923 3.412 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000415069644 309118063 /nfs/dbraw/zinc/11/80/63/309118063.db2.gz SWCKWAKUOWALJM-KRWDZBQOSA-N 2 2 328.847 3.340 20 0 EGADLP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)cc1OC ZINC000415073420 309118348 /nfs/dbraw/zinc/11/83/48/309118348.db2.gz ZFBMGMQKOLRGCL-GOSISDBHSA-N 2 2 328.456 3.446 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000415079060 309118763 /nfs/dbraw/zinc/11/87/63/309118763.db2.gz HDNHFJYBEBISHA-HNNXBMFYSA-N 2 2 340.471 3.373 20 0 EGADLP CN(C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H](C[NH3+])C1CC1 ZINC000415193971 309125819 /nfs/dbraw/zinc/12/58/19/309125819.db2.gz ZDYFEVWKPQROGX-QGZVFWFLSA-N 2 2 326.400 3.075 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)n1 ZINC000417790308 309222291 /nfs/dbraw/zinc/22/22/91/309222291.db2.gz IHELTHLKLLHTPJ-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)n1 ZINC000417790308 309222292 /nfs/dbraw/zinc/22/22/92/309222292.db2.gz IHELTHLKLLHTPJ-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n(C)n1 ZINC000417790308 309222293 /nfs/dbraw/zinc/22/22/93/309222293.db2.gz IHELTHLKLLHTPJ-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n(C)n1 ZINC000417790308 309222294 /nfs/dbraw/zinc/22/22/94/309222294.db2.gz IHELTHLKLLHTPJ-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[NH2+]CC2)on1 ZINC000420266593 309278702 /nfs/dbraw/zinc/27/87/02/309278702.db2.gz DIZZJHJMRFJXOZ-UHFFFAOYSA-N 2 2 337.423 3.299 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[NH2+]CC2)on1 ZINC000420266593 309278703 /nfs/dbraw/zinc/27/87/03/309278703.db2.gz DIZZJHJMRFJXOZ-UHFFFAOYSA-N 2 2 337.423 3.299 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000420290030 309279594 /nfs/dbraw/zinc/27/95/94/309279594.db2.gz UCYCJJSWXMFNTQ-BXUZGUMPSA-N 2 2 334.261 3.349 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000420292325 309279771 /nfs/dbraw/zinc/27/97/71/309279771.db2.gz PGRYKCHXIJMRPV-UXPWSPDFSA-N 2 2 337.467 3.344 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000420292325 309279772 /nfs/dbraw/zinc/27/97/72/309279772.db2.gz PGRYKCHXIJMRPV-UXPWSPDFSA-N 2 2 337.467 3.344 20 0 EGADLP CCC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C1CC[NH2+]CC1 ZINC000420323731 309282227 /nfs/dbraw/zinc/28/22/27/309282227.db2.gz UQWOEJVPKDXQAQ-UHFFFAOYSA-N 2 2 332.423 3.148 20 0 EGADLP CCC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C1CC[NH2+]CC1 ZINC000420323731 309282228 /nfs/dbraw/zinc/28/22/28/309282228.db2.gz UQWOEJVPKDXQAQ-UHFFFAOYSA-N 2 2 332.423 3.148 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420328180 309282711 /nfs/dbraw/zinc/28/27/11/309282711.db2.gz DXYZLAMAPOYWKI-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420328180 309282712 /nfs/dbraw/zinc/28/27/12/309282712.db2.gz DXYZLAMAPOYWKI-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C)C[C@H]3C[NH3+])n2)cc1F ZINC000420335563 309283067 /nfs/dbraw/zinc/28/30/67/309283067.db2.gz LQFSDHJBNNKKSS-BBRMVZONSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C)C[C@H]3C[NH3+])n2)cc1F ZINC000420335563 309283068 /nfs/dbraw/zinc/28/30/68/309283068.db2.gz LQFSDHJBNNKKSS-BBRMVZONSA-N 2 2 346.450 3.176 20 0 EGADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)c1 ZINC000420353356 309283573 /nfs/dbraw/zinc/28/35/73/309283573.db2.gz BTZINMPXHOFMFQ-OAHLLOKOSA-N 2 2 347.484 3.060 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C3CCCCC3)co2)cc1 ZINC000420354237 309283798 /nfs/dbraw/zinc/28/37/98/309283798.db2.gz AZIBLGXPRYWYOE-GOSISDBHSA-N 2 2 329.444 3.347 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000420357276 309283938 /nfs/dbraw/zinc/28/39/38/309283938.db2.gz HCDUANIBGHKKHB-HZMBPMFUSA-N 2 2 346.302 3.134 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420354251 309283941 /nfs/dbraw/zinc/28/39/41/309283941.db2.gz CSEPDNMGHULQMH-WOJBJXKFSA-N 2 2 345.531 3.387 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420358410 309283966 /nfs/dbraw/zinc/28/39/66/309283966.db2.gz IRDPEXWXTHWETC-SFHVURJKSA-N 2 2 341.455 3.380 20 0 EGADLP COc1ccccc1-c1nc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cs1 ZINC000420360199 309283993 /nfs/dbraw/zinc/28/39/93/309283993.db2.gz KSLDMUFEEVVPIR-MRXNPFEDSA-N 2 2 331.485 3.296 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420360861 309284129 /nfs/dbraw/zinc/28/41/29/309284129.db2.gz HNVADCGBPGPCLN-JTOWHCCKSA-N 2 2 331.504 3.115 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000420376269 309285149 /nfs/dbraw/zinc/28/51/49/309285149.db2.gz UXNNJAPSLJHVKQ-MCYUEQNJSA-N 2 2 343.393 3.009 20 0 EGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420379675 309285304 /nfs/dbraw/zinc/28/53/04/309285304.db2.gz NEXOOKAORKYWTH-WMZOPIPTSA-N 2 2 337.467 3.209 20 0 EGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420379675 309285305 /nfs/dbraw/zinc/28/53/05/309285305.db2.gz NEXOOKAORKYWTH-WMZOPIPTSA-N 2 2 337.467 3.209 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378042 309285351 /nfs/dbraw/zinc/28/53/51/309285351.db2.gz BAJPRZJSWICVII-QFBILLFUSA-N 2 2 329.488 3.213 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378042 309285352 /nfs/dbraw/zinc/28/53/52/309285352.db2.gz BAJPRZJSWICVII-QFBILLFUSA-N 2 2 329.488 3.213 20 0 EGADLP FC(F)(F)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420915974 309300758 /nfs/dbraw/zinc/30/07/58/309300758.db2.gz NKBBEKVFLSWUQU-UHFFFAOYSA-N 2 2 342.405 3.293 20 0 EGADLP C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937397 309302412 /nfs/dbraw/zinc/30/24/12/309302412.db2.gz LHWDXYQCFBAXOE-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937397 309302413 /nfs/dbraw/zinc/30/24/13/309302413.db2.gz LHWDXYQCFBAXOE-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420953407 309303915 /nfs/dbraw/zinc/30/39/15/309303915.db2.gz VBSJUSHKSBGUHL-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420953407 309303916 /nfs/dbraw/zinc/30/39/16/309303916.db2.gz VBSJUSHKSBGUHL-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP CSC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420979842 309305641 /nfs/dbraw/zinc/30/56/41/309305641.db2.gz VOWBGGUENMLIFA-LJQANCHMSA-N 2 2 334.529 3.094 20 0 EGADLP CSC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420979842 309305642 /nfs/dbraw/zinc/30/56/42/309305642.db2.gz VOWBGGUENMLIFA-LJQANCHMSA-N 2 2 334.529 3.094 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCC3CCCCC3)CC2)CC1 ZINC000422008862 309350689 /nfs/dbraw/zinc/35/06/89/309350689.db2.gz QDYMSSWGETZEOZ-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCC3CCCCC3)CC2)CC1 ZINC000422008862 309350690 /nfs/dbraw/zinc/35/06/90/309350690.db2.gz QDYMSSWGETZEOZ-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422705354 309364081 /nfs/dbraw/zinc/36/40/81/309364081.db2.gz RJDIXOARXBRMIS-HOTGVXAUSA-N 2 2 330.815 3.346 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000422714592 309364502 /nfs/dbraw/zinc/36/45/02/309364502.db2.gz LEMDTRSFBKFLRH-TXPKVOOTSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000422714592 309364503 /nfs/dbraw/zinc/36/45/03/309364503.db2.gz LEMDTRSFBKFLRH-TXPKVOOTSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422721200 309364931 /nfs/dbraw/zinc/36/49/31/309364931.db2.gz NPWNYCKPBNOTKB-IFXJQAMLSA-N 2 2 337.458 3.049 20 0 EGADLP C[C@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422721200 309364932 /nfs/dbraw/zinc/36/49/32/309364932.db2.gz NPWNYCKPBNOTKB-IFXJQAMLSA-N 2 2 337.458 3.049 20 0 EGADLP c1sc(-c2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422753960 309366680 /nfs/dbraw/zinc/36/66/80/309366680.db2.gz FNBNUICIGZSSKZ-RCCFBDPRSA-N 2 2 343.496 3.057 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422802638 309369308 /nfs/dbraw/zinc/36/93/08/309369308.db2.gz HSHFADSPJCKVAL-IEBWSBKVSA-N 2 2 326.440 3.287 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824750 309370383 /nfs/dbraw/zinc/37/03/83/309370383.db2.gz IASQVSUGVJJXAV-SUYBPPKGSA-N 2 2 340.414 3.022 20 0 EGADLP C[C@H](NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422827939 309370555 /nfs/dbraw/zinc/37/05/55/309370555.db2.gz FLDRJGDAEXEGML-HKUYNNGSSA-N 2 2 326.488 3.136 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000422838417 309371232 /nfs/dbraw/zinc/37/12/32/309371232.db2.gz XHMXUHIKVYDHRI-GHTZIAJQSA-N 2 2 348.494 3.174 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838417 309371233 /nfs/dbraw/zinc/37/12/33/309371233.db2.gz XHMXUHIKVYDHRI-GHTZIAJQSA-N 2 2 348.494 3.174 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](C)c1c(Cl)cccc1Cl ZINC000422885955 309373976 /nfs/dbraw/zinc/37/39/76/309373976.db2.gz ZREKWUVOVHUGJP-YNEHKIRRSA-N 2 2 331.287 3.454 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422889031 309374452 /nfs/dbraw/zinc/37/44/52/309374452.db2.gz OPOHPTPLLSYXCC-DKSSEZFCSA-N 2 2 345.874 3.181 20 0 EGADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000422904258 309375351 /nfs/dbraw/zinc/37/53/51/309375351.db2.gz GOBSNJOKSHEVEJ-DZGCQCFKSA-N 2 2 329.469 3.148 20 0 EGADLP COc1ccc(C2(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)CCCCC2)cc1 ZINC000422903346 309375421 /nfs/dbraw/zinc/37/54/21/309375421.db2.gz OHZGPCMZLZAIRT-PKOBYXMFSA-N 2 2 346.515 3.254 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000422958808 309378208 /nfs/dbraw/zinc/37/82/08/309378208.db2.gz QAXMKOQZFDCUHS-YRISNDGFSA-N 2 2 340.467 3.141 20 0 EGADLP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCCC[NH2+]1 ZINC000422984560 309379475 /nfs/dbraw/zinc/37/94/75/309379475.db2.gz YIXAIPQPRSOFMP-IUODEOHRSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011107 309380833 /nfs/dbraw/zinc/38/08/33/309380833.db2.gz YZYAQYBMZFCVEP-OXQOHEQNSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011107 309380834 /nfs/dbraw/zinc/38/08/34/309380834.db2.gz YZYAQYBMZFCVEP-OXQOHEQNSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423013640 309380991 /nfs/dbraw/zinc/38/09/91/309380991.db2.gz NCJSVJCKJPILQB-XQQFMLRXSA-N 2 2 331.287 3.281 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423017709 309381171 /nfs/dbraw/zinc/38/11/71/309381171.db2.gz PKLGTCOOBSILDW-RKLWJJNISA-N 2 2 341.293 3.255 20 0 EGADLP CCCCCn1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(C)n1 ZINC000423024843 309381688 /nfs/dbraw/zinc/38/16/88/309381688.db2.gz MUWYKAAZMKKMRJ-OXJNMPFZSA-N 2 2 328.504 3.430 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])CCO2 ZINC000423050572 309383223 /nfs/dbraw/zinc/38/32/23/309383223.db2.gz MKJFGLPJYHUAKR-CCKFTAQKSA-N 2 2 326.440 3.067 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423088860 309385290 /nfs/dbraw/zinc/38/52/90/309385290.db2.gz RAFKJHDSMBKBMP-LZWOXQAQSA-N 2 2 330.394 3.345 20 0 EGADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423104660 309386022 /nfs/dbraw/zinc/38/60/22/309386022.db2.gz MKCITBHHMMIURL-BKTGTZMESA-N 2 2 344.480 3.276 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423119606 309386879 /nfs/dbraw/zinc/38/68/79/309386879.db2.gz FCXDOAKWVPBJJD-SOLBZPMBSA-N 2 2 341.455 3.292 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCC[NH2+]1 ZINC000423156911 309388761 /nfs/dbraw/zinc/38/87/61/309388761.db2.gz UNCKMAWODSXVKR-OWYVNGRQSA-N 2 2 327.241 3.306 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)nnn1-c1ccc(F)cc1 ZINC000423177216 309389301 /nfs/dbraw/zinc/38/93/01/309389301.db2.gz IKOSYZAETJTLJB-ZDUSSCGKSA-N 2 2 331.439 3.027 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233416 309391536 /nfs/dbraw/zinc/39/15/36/309391536.db2.gz JUVMFDRETBIBOQ-RISCZKNCSA-N 2 2 325.250 3.004 20 0 EGADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423243308 309392097 /nfs/dbraw/zinc/39/20/97/309392097.db2.gz KBMWMLOAYTWXLU-QMMMGPOBSA-N 2 2 325.172 3.338 20 0 EGADLP CC[NH2+]CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423252666 309392372 /nfs/dbraw/zinc/39/23/72/309392372.db2.gz XYYFWRWTKDXJIN-MRXNPFEDSA-N 2 2 341.293 3.116 20 0 EGADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000423295510 309394329 /nfs/dbraw/zinc/39/43/29/309394329.db2.gz DYBWSCRROFJGDX-XJKSGUPXSA-N 2 2 326.444 3.089 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423357236 309396842 /nfs/dbraw/zinc/39/68/42/309396842.db2.gz LYAGSXOMFZMMHI-JSXRDJHFSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423357236 309396843 /nfs/dbraw/zinc/39/68/43/309396843.db2.gz LYAGSXOMFZMMHI-JSXRDJHFSA-N 3 2 327.516 3.019 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc(F)c1 ZINC000423386016 309398165 /nfs/dbraw/zinc/39/81/65/309398165.db2.gz LCKREDTWMGQVPF-IAGOWNOFSA-N 2 2 330.451 3.016 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393331 309398486 /nfs/dbraw/zinc/39/84/86/309398486.db2.gz QZJCXERMRBSQRH-APWZRJJASA-N 3 2 333.520 3.056 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000423414597 309399187 /nfs/dbraw/zinc/39/91/87/309399187.db2.gz CJCBAWULRYHHPU-ZBFHGGJFSA-N 2 2 326.893 3.235 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@]3(COC)CCC[NH2+]3)oc21 ZINC000423414672 309399264 /nfs/dbraw/zinc/39/92/64/309399264.db2.gz NKJUZLLVDKTJHZ-AUUYWEPGSA-N 2 2 332.444 3.251 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CCC[NH2+]1 ZINC000423434488 309400188 /nfs/dbraw/zinc/40/01/88/309400188.db2.gz SAVIQXGNQVNKIB-UZLBHIALSA-N 2 2 325.456 3.168 20 0 EGADLP Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423500046 309403134 /nfs/dbraw/zinc/40/31/34/309403134.db2.gz CSFRWRGTIUBKFV-ONGXEEELSA-N 2 2 335.300 3.400 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423508798 309403771 /nfs/dbraw/zinc/40/37/71/309403771.db2.gz JHRNGNIQKVUWPV-ORYQWCPZSA-N 2 2 340.467 3.118 20 0 EGADLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1I ZINC000423524447 309404780 /nfs/dbraw/zinc/40/47/80/309404780.db2.gz JJLLHKMLHSCPQL-LLVKDONJSA-N 2 2 344.240 3.084 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)nnn1-c1cccc(Cl)c1 ZINC000423533958 309405556 /nfs/dbraw/zinc/40/55/56/309405556.db2.gz UWRCIBUBPTYPFF-PXAZEXFGSA-N 2 2 347.894 3.397 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(Br)c1 ZINC000424380643 309441187 /nfs/dbraw/zinc/44/11/87/309441187.db2.gz XHPWEJWQKXQPAS-COLVAYQJSA-N 2 2 327.266 3.378 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000425235820 309469560 /nfs/dbraw/zinc/46/95/60/309469560.db2.gz JAAQCNZPMYKIEO-OAHLLOKOSA-N 2 2 335.455 3.028 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000427864966 309537332 /nfs/dbraw/zinc/53/73/32/309537332.db2.gz GMRMVDIHSGUOKH-JQWIXIFHSA-N 2 2 338.224 3.450 20 0 EGADLP Fc1ccc2nc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)sc2c1 ZINC000428879001 309563586 /nfs/dbraw/zinc/56/35/86/309563586.db2.gz BNMCAHZFFFQACI-CYBMUJFWSA-N 2 2 349.475 3.026 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCSC1 ZINC000431338605 309630428 /nfs/dbraw/zinc/63/04/28/309630428.db2.gz OXUFAYOITAHHLT-AZUAARDMSA-N 2 2 346.540 3.416 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000433073989 309677907 /nfs/dbraw/zinc/67/79/07/309677907.db2.gz HJSPLWIMTOHNTG-AWEZNQCLSA-N 2 2 335.411 3.077 20 0 EGADLP COc1ccc(-n2cc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cn2)cc1 ZINC000449032606 310031351 /nfs/dbraw/zinc/03/13/51/310031351.db2.gz XJUNYLQVYPDVCG-GOSISDBHSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccc(-n2cc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cn2)cc1 ZINC000449032606 310031352 /nfs/dbraw/zinc/03/13/52/310031352.db2.gz XJUNYLQVYPDVCG-GOSISDBHSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccc(-n2cc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cn2)cc1 ZINC000449032606 310031353 /nfs/dbraw/zinc/03/13/53/310031353.db2.gz XJUNYLQVYPDVCG-GOSISDBHSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccc(-n2cc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cn2)cc1 ZINC000449032606 310031354 /nfs/dbraw/zinc/03/13/54/310031354.db2.gz XJUNYLQVYPDVCG-GOSISDBHSA-N 2 2 342.487 3.187 20 0 EGADLP CCn1nnc(C)c1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000449159276 310041078 /nfs/dbraw/zinc/04/10/78/310041078.db2.gz YYTWJVDMPSCFCK-INIZCTEOSA-N 2 2 341.503 3.360 20 0 EGADLP C[C@H](C[NH2+]Cc1cnc(-c2ccccc2F)s1)C[NH+]1CCOCC1 ZINC000449165312 310041511 /nfs/dbraw/zinc/04/15/11/310041511.db2.gz VFRLXTLGKCAWRX-CQSZACIVSA-N 2 2 349.475 3.007 20 0 EGADLP Fc1cnccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000449333587 310054495 /nfs/dbraw/zinc/05/44/95/310054495.db2.gz HEKQSSUNHGWTIV-IEBWSBKVSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000449333587 310054496 /nfs/dbraw/zinc/05/44/96/310054496.db2.gz HEKQSSUNHGWTIV-IEBWSBKVSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000449333587 310054497 /nfs/dbraw/zinc/05/44/97/310054497.db2.gz HEKQSSUNHGWTIV-IEBWSBKVSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000449333587 310054498 /nfs/dbraw/zinc/05/44/98/310054498.db2.gz HEKQSSUNHGWTIV-IEBWSBKVSA-N 2 2 325.431 3.175 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@H](C)c1nc2ccccc2s1 ZINC000449385965 310057976 /nfs/dbraw/zinc/05/79/76/310057976.db2.gz GXMZEXRTULBLDL-JYJNAYRXSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@H](C)c1nc2ccccc2s1 ZINC000449385965 310057977 /nfs/dbraw/zinc/05/79/77/310057977.db2.gz GXMZEXRTULBLDL-JYJNAYRXSA-N 2 2 347.528 3.225 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000449396704 310058591 /nfs/dbraw/zinc/05/85/91/310058591.db2.gz MIDXGFGNOCTDSX-NRFANRHFSA-N 2 2 338.495 3.255 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000449396704 310058592 /nfs/dbraw/zinc/05/85/92/310058592.db2.gz MIDXGFGNOCTDSX-NRFANRHFSA-N 2 2 338.495 3.255 20 0 EGADLP COC(=O)[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@@H]1c1ccccc1 ZINC000449752312 310084372 /nfs/dbraw/zinc/08/43/72/310084372.db2.gz BYCJEAWNBBMCFV-UXHICEINSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@@H]1c1ccccc1 ZINC000449752312 310084373 /nfs/dbraw/zinc/08/43/73/310084373.db2.gz BYCJEAWNBBMCFV-UXHICEINSA-N 2 2 338.451 3.211 20 0 EGADLP CN(CC[N@H+](C)Cc1ccccc1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000450442223 310122935 /nfs/dbraw/zinc/12/29/35/310122935.db2.gz SBMWDMSXPSIJCN-UHFFFAOYSA-N 2 2 348.494 3.495 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccccc1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000450442223 310122936 /nfs/dbraw/zinc/12/29/36/310122936.db2.gz SBMWDMSXPSIJCN-UHFFFAOYSA-N 2 2 348.494 3.495 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418225 310177130 /nfs/dbraw/zinc/17/71/30/310177130.db2.gz IXGZNBBGKYLHNG-XUVXKRRUSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418225 310177131 /nfs/dbraw/zinc/17/71/31/310177131.db2.gz IXGZNBBGKYLHNG-XUVXKRRUSA-N 2 2 325.456 3.306 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000453062380 310255283 /nfs/dbraw/zinc/25/52/83/310255283.db2.gz DOCZQVLZKBLDKM-OAQYLSRUSA-N 2 2 338.499 3.335 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CO2 ZINC000453072704 310255996 /nfs/dbraw/zinc/25/59/96/310255996.db2.gz FSZBFAFRFMQCHF-IBGZPJMESA-N 2 2 349.434 3.033 20 0 EGADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1 ZINC000453171389 310262203 /nfs/dbraw/zinc/26/22/03/310262203.db2.gz JFIVCPAPFLYWGZ-ZWKOTPCHSA-N 2 2 325.460 3.180 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCCO2 ZINC000453278082 310268908 /nfs/dbraw/zinc/26/89/08/310268908.db2.gz YNEDPJNNHHAKQO-UYAOXDASSA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCCO2 ZINC000453278082 310268909 /nfs/dbraw/zinc/26/89/09/310268909.db2.gz YNEDPJNNHHAKQO-UYAOXDASSA-N 2 2 346.515 3.460 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453312505 310270637 /nfs/dbraw/zinc/27/06/37/310270637.db2.gz HDAYRGRLIRLWDU-WSTZPKSXSA-N 2 2 343.515 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453312505 310270638 /nfs/dbraw/zinc/27/06/38/310270638.db2.gz HDAYRGRLIRLWDU-WSTZPKSXSA-N 2 2 343.515 3.231 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)c2[nH+]ccn2CC)C1 ZINC000454482505 310312115 /nfs/dbraw/zinc/31/21/15/310312115.db2.gz JGQXVKAHOLOOQH-HOTGVXAUSA-N 2 2 349.523 3.164 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2[nH+]ccn2CC)C1 ZINC000454482505 310312116 /nfs/dbraw/zinc/31/21/16/310312116.db2.gz JGQXVKAHOLOOQH-HOTGVXAUSA-N 2 2 349.523 3.164 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c[nH+]1 ZINC000458751686 310519117 /nfs/dbraw/zinc/51/91/17/310519117.db2.gz AUOVRKLFQXZWJB-APWZRJJASA-N 2 2 340.471 3.189 20 0 EGADLP C[C@H](C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000481651769 310918500 /nfs/dbraw/zinc/91/85/00/310918500.db2.gz QVXKNDOWTZEBCQ-HUUCEWRRSA-N 2 2 344.421 3.194 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]C[C@H]3CCSC3)CCCCC2)CCO1 ZINC000487282325 311019026 /nfs/dbraw/zinc/01/90/26/311019026.db2.gz UUNDEQWDTRDOHQ-MRXNPFEDSA-N 2 2 326.550 3.143 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]C[C@H]3CCSC3)CCCCC2)CCO1 ZINC000487282325 311019027 /nfs/dbraw/zinc/01/90/27/311019027.db2.gz UUNDEQWDTRDOHQ-MRXNPFEDSA-N 2 2 326.550 3.143 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000488116370 311051910 /nfs/dbraw/zinc/05/19/10/311051910.db2.gz IIUSVUKNECTQMM-VNTMZGSJSA-N 2 2 328.500 3.399 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000492033541 311210892 /nfs/dbraw/zinc/21/08/92/311210892.db2.gz RHPVWKZXQOHVKM-VAWYXSNFSA-N 2 2 326.444 3.397 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1OCCc2sccc21 ZINC000492195989 311225503 /nfs/dbraw/zinc/22/55/03/311225503.db2.gz XVOFMROVXNRZOH-BZNIZROVSA-N 2 2 337.514 3.058 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000492290162 311234481 /nfs/dbraw/zinc/23/44/81/311234481.db2.gz GNMSFBPMBWRGNY-WBVHZDCISA-N 2 2 344.528 3.457 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000492290162 311234482 /nfs/dbraw/zinc/23/44/82/311234482.db2.gz GNMSFBPMBWRGNY-WBVHZDCISA-N 2 2 344.528 3.457 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787324 311291082 /nfs/dbraw/zinc/29/10/82/311291082.db2.gz CGWPIUWEMOUDLZ-CRAIPNDOSA-N 2 2 349.519 3.016 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787324 311291084 /nfs/dbraw/zinc/29/10/84/311291084.db2.gz CGWPIUWEMOUDLZ-CRAIPNDOSA-N 2 2 349.519 3.016 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CC3 ZINC000493050324 311321226 /nfs/dbraw/zinc/32/12/26/311321226.db2.gz BRCSADNMMSOJAO-YWZLYKJASA-N 2 2 343.540 3.361 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2cccs2)CC1 ZINC000493101567 311327662 /nfs/dbraw/zinc/32/76/62/311327662.db2.gz ZBGZNWKPAOPGBH-AWFCHZOYSA-N 2 2 344.484 3.074 20 0 EGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000493157104 311335465 /nfs/dbraw/zinc/33/54/65/311335465.db2.gz YCWXTDVJROUELN-HKUYNNGSSA-N 2 2 336.545 3.361 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000496228869 311681222 /nfs/dbraw/zinc/68/12/22/311681222.db2.gz QRZRXUWYALJUCD-LJQANCHMSA-N 2 2 333.476 3.216 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506477212 312050134 /nfs/dbraw/zinc/05/01/34/312050134.db2.gz AILKEHQNGQNPMI-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506477212 312050135 /nfs/dbraw/zinc/05/01/35/312050135.db2.gz AILKEHQNGQNPMI-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506477212 312050136 /nfs/dbraw/zinc/05/01/36/312050136.db2.gz AILKEHQNGQNPMI-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506477212 312050138 /nfs/dbraw/zinc/05/01/38/312050138.db2.gz AILKEHQNGQNPMI-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479375 312050569 /nfs/dbraw/zinc/05/05/69/312050569.db2.gz IUDNOPIYJPUNBD-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479375 312050571 /nfs/dbraw/zinc/05/05/71/312050571.db2.gz IUDNOPIYJPUNBD-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506479375 312050573 /nfs/dbraw/zinc/05/05/73/312050573.db2.gz IUDNOPIYJPUNBD-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506479375 312050575 /nfs/dbraw/zinc/05/05/75/312050575.db2.gz IUDNOPIYJPUNBD-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000507516841 312075988 /nfs/dbraw/zinc/07/59/88/312075988.db2.gz XATLOZHDVFHDPF-YYWHXJBOSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000507516841 312075990 /nfs/dbraw/zinc/07/59/90/312075990.db2.gz XATLOZHDVFHDPF-YYWHXJBOSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709145 312100250 /nfs/dbraw/zinc/10/02/50/312100250.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709145 312100253 /nfs/dbraw/zinc/10/02/53/312100253.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709145 312100256 /nfs/dbraw/zinc/10/02/56/312100256.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709145 312100257 /nfs/dbraw/zinc/10/02/57/312100257.db2.gz FWFJCBYOJGYCOJ-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508860485 312104246 /nfs/dbraw/zinc/10/42/46/312104246.db2.gz PIVMOXICZLAOIP-LJQANCHMSA-N 2 2 339.483 3.429 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508860485 312104248 /nfs/dbraw/zinc/10/42/48/312104248.db2.gz PIVMOXICZLAOIP-LJQANCHMSA-N 2 2 339.483 3.429 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508860485 312104249 /nfs/dbraw/zinc/10/42/49/312104249.db2.gz PIVMOXICZLAOIP-LJQANCHMSA-N 2 2 339.483 3.429 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508860485 312104251 /nfs/dbraw/zinc/10/42/51/312104251.db2.gz PIVMOXICZLAOIP-LJQANCHMSA-N 2 2 339.483 3.429 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670362 312145980 /nfs/dbraw/zinc/14/59/80/312145980.db2.gz XDLRPWCFNOORDN-WMLDXEAASA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670362 312145983 /nfs/dbraw/zinc/14/59/83/312145983.db2.gz XDLRPWCFNOORDN-WMLDXEAASA-N 2 2 344.421 3.337 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000514004048 312221764 /nfs/dbraw/zinc/22/17/64/312221764.db2.gz ZRVCXZCKLURRQO-KRWDZBQOSA-N 2 2 325.541 3.122 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000514004048 312221766 /nfs/dbraw/zinc/22/17/66/312221766.db2.gz ZRVCXZCKLURRQO-KRWDZBQOSA-N 2 2 325.541 3.122 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)n1C ZINC000515339709 312277495 /nfs/dbraw/zinc/27/74/95/312277495.db2.gz REPZFXUNYMISIS-LBPRGKRZSA-N 2 2 339.270 3.404 20 0 EGADLP C[C@@H]1CC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000515409066 312281423 /nfs/dbraw/zinc/28/14/23/312281423.db2.gz TXRNSQNSHMZGDE-CABCVRRESA-N 2 2 328.460 3.038 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000516489642 312325500 /nfs/dbraw/zinc/32/55/00/312325500.db2.gz CDIHDVIAQUOWAV-HNNXBMFYSA-N 2 2 348.516 3.020 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000516489642 312325501 /nfs/dbraw/zinc/32/55/01/312325501.db2.gz CDIHDVIAQUOWAV-HNNXBMFYSA-N 2 2 348.516 3.020 20 0 EGADLP COc1ccc([C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)c2[nH+]ccn2C)cc1 ZINC000521609753 312552535 /nfs/dbraw/zinc/55/25/35/312552535.db2.gz LKWSMOYSGVMLBT-ZCNNSNEGSA-N 2 2 348.450 3.253 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000529664553 313380817 /nfs/dbraw/zinc/38/08/17/313380817.db2.gz QVCRISCOPOMWDX-NSCUHMNNSA-N 2 2 336.426 3.165 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000531965103 313736997 /nfs/dbraw/zinc/73/69/97/313736997.db2.gz FAGJTMYSBJKLHU-PKOBYXMFSA-N 2 2 327.472 3.227 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c(C)c[nH+]1 ZINC000534325611 313972498 /nfs/dbraw/zinc/97/24/98/313972498.db2.gz FVIGQQSNUIVAKX-INIZCTEOSA-N 2 2 344.484 3.140 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000535689286 314060292 /nfs/dbraw/zinc/06/02/92/314060292.db2.gz FMZHUTJRFBQZPM-HNNXBMFYSA-N 2 2 340.496 3.381 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000535689286 314060296 /nfs/dbraw/zinc/06/02/96/314060296.db2.gz FMZHUTJRFBQZPM-HNNXBMFYSA-N 2 2 340.496 3.381 20 0 EGADLP c1ccc(-c2noc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)n2)cc1 ZINC000536372510 314109446 /nfs/dbraw/zinc/10/94/46/314109446.db2.gz YRPDOFRJHPFNNP-UHFFFAOYSA-N 2 2 335.411 3.208 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000537967689 314220951 /nfs/dbraw/zinc/22/09/51/314220951.db2.gz VSXZYNFBJYDZKN-HWWQOWPSSA-N 2 2 341.293 3.276 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000537967689 314220953 /nfs/dbraw/zinc/22/09/53/314220953.db2.gz VSXZYNFBJYDZKN-HWWQOWPSSA-N 2 2 341.293 3.276 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068954 314293903 /nfs/dbraw/zinc/29/39/03/314293903.db2.gz JZRMAFAIAYCODQ-WFASDCNBSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068954 314293906 /nfs/dbraw/zinc/29/39/06/314293906.db2.gz JZRMAFAIAYCODQ-WFASDCNBSA-N 2 2 328.378 3.157 20 0 EGADLP CCc1oc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cc1C(=O)OC ZINC000549410294 315090606 /nfs/dbraw/zinc/09/06/06/315090606.db2.gz WLVUONXJVPAMKI-UHFFFAOYSA-N 2 2 336.476 3.373 20 0 EGADLP CCc1oc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1C(=O)OC ZINC000549410294 315090610 /nfs/dbraw/zinc/09/06/10/315090610.db2.gz WLVUONXJVPAMKI-UHFFFAOYSA-N 2 2 336.476 3.373 20 0 EGADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551274126 315147761 /nfs/dbraw/zinc/14/77/61/315147761.db2.gz BSHGDNZLDSZNNF-NJDAHSKKSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551274126 315147762 /nfs/dbraw/zinc/14/77/62/315147762.db2.gz BSHGDNZLDSZNNF-NJDAHSKKSA-N 2 2 330.516 3.210 20 0 EGADLP Cc1ccc2c(C)cc(N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)[nH+]c2c1 ZINC000553604559 315272450 /nfs/dbraw/zinc/27/24/50/315272450.db2.gz XXCASKMXKPMPHN-SJORKVTESA-N 2 2 325.456 3.151 20 0 EGADLP COc1cc(F)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000556607515 315445717 /nfs/dbraw/zinc/44/57/17/315445717.db2.gz FGNQABXCZJDRBC-LBPRGKRZSA-N 2 2 333.407 3.227 20 0 EGADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccsc2Cl)c2ccccc2)CC1 ZINC000558761043 315600489 /nfs/dbraw/zinc/60/04/89/315600489.db2.gz UMQIYCBYSJDMLD-QGZVFWFLSA-N 2 2 349.931 3.480 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)n1C ZINC000563442162 316022473 /nfs/dbraw/zinc/02/24/73/316022473.db2.gz YFUCMVXOQYOVPE-UHFFFAOYSA-N 2 2 327.350 3.097 20 0 EGADLP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000563656165 316051899 /nfs/dbraw/zinc/05/18/99/316051899.db2.gz LZRHTGSYAXTTLP-XLIONFOSSA-N 2 2 340.467 3.333 20 0 EGADLP Cc1nc([C@@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670213 316053205 /nfs/dbraw/zinc/05/32/05/316053205.db2.gz MYSYZZVWPBWRIH-CJNGLKHVSA-N 2 2 349.862 3.414 20 0 EGADLP Cc1nc([C@@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670213 316053210 /nfs/dbraw/zinc/05/32/10/316053210.db2.gz MYSYZZVWPBWRIH-CJNGLKHVSA-N 2 2 349.862 3.414 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000564846362 316216417 /nfs/dbraw/zinc/21/64/17/316216417.db2.gz MCEZUQAGILJNCT-SFTDATJTSA-N 2 2 326.484 3.181 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000564846361 316216814 /nfs/dbraw/zinc/21/68/14/316216814.db2.gz MCEZUQAGILJNCT-RTWAWAEBSA-N 2 2 326.484 3.181 20 0 EGADLP CC(C)OC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000565643937 316350692 /nfs/dbraw/zinc/35/06/92/316350692.db2.gz FMJRMVVXBHSBIP-NRFANRHFSA-N 2 2 346.515 3.298 20 0 EGADLP CC(C)OC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000565643937 316350695 /nfs/dbraw/zinc/35/06/95/316350695.db2.gz FMJRMVVXBHSBIP-NRFANRHFSA-N 2 2 346.515 3.298 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[N@@H+]3CCC(C)(C)C3)cc2)c1C ZINC000565664503 316354042 /nfs/dbraw/zinc/35/40/42/316354042.db2.gz CFYBZZCELHFFRW-UHFFFAOYSA-N 2 2 326.444 3.160 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[N@H+]3CCC(C)(C)C3)cc2)c1C ZINC000565664503 316354043 /nfs/dbraw/zinc/35/40/43/316354043.db2.gz CFYBZZCELHFFRW-UHFFFAOYSA-N 2 2 326.444 3.160 20 0 EGADLP CN(C)c1cc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc[nH+]1 ZINC000566423023 316472802 /nfs/dbraw/zinc/47/28/02/316472802.db2.gz JKJCBZZUTCUDGS-INIZCTEOSA-N 2 2 332.835 3.042 20 0 EGADLP FC1(F)CCC(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000566631998 316506156 /nfs/dbraw/zinc/50/61/56/316506156.db2.gz WBEWMZJYAXZDCL-UHFFFAOYSA-N 2 2 344.369 3.448 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000567725825 316664581 /nfs/dbraw/zinc/66/45/81/316664581.db2.gz KYPJYAIDUTZRAR-RXVVDRJESA-N 2 2 349.478 3.228 20 0 EGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570107632 317009212 /nfs/dbraw/zinc/00/92/12/317009212.db2.gz YHOGWPQAKJSAHO-HNNXBMFYSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570107632 317009214 /nfs/dbraw/zinc/00/92/14/317009214.db2.gz YHOGWPQAKJSAHO-HNNXBMFYSA-N 2 2 338.879 3.035 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149495 317014399 /nfs/dbraw/zinc/01/43/99/317014399.db2.gz OSVUOJUQQLUSEH-NVXWUHKLSA-N 2 2 344.434 3.148 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149495 317014401 /nfs/dbraw/zinc/01/44/01/317014401.db2.gz OSVUOJUQQLUSEH-NVXWUHKLSA-N 2 2 344.434 3.148 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335657 317041222 /nfs/dbraw/zinc/04/12/22/317041222.db2.gz KGFZYMDTPHTCOD-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335657 317041226 /nfs/dbraw/zinc/04/12/26/317041226.db2.gz KGFZYMDTPHTCOD-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335657 317041231 /nfs/dbraw/zinc/04/12/31/317041231.db2.gz KGFZYMDTPHTCOD-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335657 317041234 /nfs/dbraw/zinc/04/12/34/317041234.db2.gz KGFZYMDTPHTCOD-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2O1 ZINC000570463016 317059140 /nfs/dbraw/zinc/05/91/40/317059140.db2.gz OKHVJIRPJFVRQX-IBGZPJMESA-N 2 2 344.499 3.087 20 0 EGADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2O1 ZINC000570463016 317059142 /nfs/dbraw/zinc/05/91/42/317059142.db2.gz OKHVJIRPJFVRQX-IBGZPJMESA-N 2 2 344.499 3.087 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000571126900 317153139 /nfs/dbraw/zinc/15/31/39/317153139.db2.gz JAZKWKCRYASQNT-LJQANCHMSA-N 2 2 346.515 3.108 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000571126900 317153142 /nfs/dbraw/zinc/15/31/42/317153142.db2.gz JAZKWKCRYASQNT-LJQANCHMSA-N 2 2 346.515 3.108 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000571126899 317153374 /nfs/dbraw/zinc/15/33/74/317153374.db2.gz JAZKWKCRYASQNT-IBGZPJMESA-N 2 2 346.515 3.108 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000571126899 317153377 /nfs/dbraw/zinc/15/33/77/317153377.db2.gz JAZKWKCRYASQNT-IBGZPJMESA-N 2 2 346.515 3.108 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000571288565 317179223 /nfs/dbraw/zinc/17/92/23/317179223.db2.gz QGWSPAHFUGVWFI-NVXWUHKLSA-N 2 2 341.503 3.245 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000571288565 317179226 /nfs/dbraw/zinc/17/92/26/317179226.db2.gz QGWSPAHFUGVWFI-NVXWUHKLSA-N 2 2 341.503 3.245 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000572420120 317336080 /nfs/dbraw/zinc/33/60/80/317336080.db2.gz LPVRCMQYBSHPNF-BSIFCXSSSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000572420120 317336083 /nfs/dbraw/zinc/33/60/83/317336083.db2.gz LPVRCMQYBSHPNF-BSIFCXSSSA-N 2 2 343.515 3.236 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@H]([NH3+])c3ccccc3)ccc2n1C1CC1 ZINC000572519843 317351170 /nfs/dbraw/zinc/35/11/70/317351170.db2.gz XZFXWLZKRLSYID-SFHVURJKSA-N 2 2 348.450 3.386 20 0 EGADLP Cc1[nH+]cc2n1CC[C@@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)C2 ZINC000350416966 324075654 /nfs/dbraw/zinc/07/56/54/324075654.db2.gz AXJOANHYGXHZIA-OAHLLOKOSA-N 2 2 346.394 3.157 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[NH+]1C ZINC000397985285 324294668 /nfs/dbraw/zinc/29/46/68/324294668.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[NH+]1C ZINC000397985285 324294670 /nfs/dbraw/zinc/29/46/70/324294670.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000397985285 324294674 /nfs/dbraw/zinc/29/46/74/324294674.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000397985285 324294677 /nfs/dbraw/zinc/29/46/77/324294677.db2.gz ODTYVCMIDANMRG-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000577601346 324834355 /nfs/dbraw/zinc/83/43/55/324834355.db2.gz XHWICDNAUBJXFC-QGZVFWFLSA-N 2 2 337.427 3.279 20 0 EGADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c2O1 ZINC000579127465 325067302 /nfs/dbraw/zinc/06/73/02/325067302.db2.gz CHXNXTRVGCHMDH-LJQANCHMSA-N 2 2 344.499 3.087 20 0 EGADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)c2O1 ZINC000579127465 325067304 /nfs/dbraw/zinc/06/73/04/325067304.db2.gz CHXNXTRVGCHMDH-LJQANCHMSA-N 2 2 344.499 3.087 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)ccn12 ZINC000579975537 325186365 /nfs/dbraw/zinc/18/63/65/325186365.db2.gz VPJOVMXPAKNIKA-MPGHIAIKSA-N 2 2 340.471 3.120 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097178 325204086 /nfs/dbraw/zinc/20/40/86/325204086.db2.gz DBWGEWDEXCKGBN-HKUYNNGSSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097178 325204089 /nfs/dbraw/zinc/20/40/89/325204089.db2.gz DBWGEWDEXCKGBN-HKUYNNGSSA-N 2 2 345.531 3.213 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4c(C)cccn34)ccc2n1[C@@H](C)CO ZINC000580541392 325265047 /nfs/dbraw/zinc/26/50/47/325265047.db2.gz XAEHTPAGASQOMJ-AWEZNQCLSA-N 2 2 349.438 3.466 20 0 EGADLP C[C@@]1(c2ccccc2)C[N@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067410 325326693 /nfs/dbraw/zinc/32/66/93/325326693.db2.gz KAHMPFFKPLDZOE-PXNSSMCTSA-N 2 2 328.431 3.116 20 0 EGADLP C[C@@]1(c2ccccc2)C[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067410 325326696 /nfs/dbraw/zinc/32/66/96/325326696.db2.gz KAHMPFFKPLDZOE-PXNSSMCTSA-N 2 2 328.431 3.116 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)n1C ZINC000581381299 325357073 /nfs/dbraw/zinc/35/70/73/325357073.db2.gz WTVABPXPMOWPSV-MRXNPFEDSA-N 2 2 340.393 3.140 20 0 EGADLP COc1ccc([C@H](CNCc2[nH]c(C)c(C)[nH+]2)[NH+]2CCCCC2)cc1 ZINC000581737339 325387585 /nfs/dbraw/zinc/38/75/85/325387585.db2.gz DVBJUNMZZQMPJF-IBGZPJMESA-N 2 2 342.487 3.352 20 0 EGADLP CCOC(=O)[C@@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000582693033 325462005 /nfs/dbraw/zinc/46/20/05/325462005.db2.gz PPVJUCJJGQKEQC-NRFANRHFSA-N 2 2 340.467 3.433 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)cc2)c1C ZINC000583180454 325501166 /nfs/dbraw/zinc/50/11/66/325501166.db2.gz IEWMFZASFRNYIH-MRXNPFEDSA-N 2 2 335.411 3.271 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000180661372 455221412 /nfs/dbraw/zinc/22/14/12/455221412.db2.gz FGUNDLANQVVXEH-IRXDYDNUSA-N 2 2 348.450 3.400 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000189954154 455259500 /nfs/dbraw/zinc/25/95/00/455259500.db2.gz URISGUPAKDVOJI-QZTJIDSGSA-N 3 2 326.488 3.019 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241644379 455268676 /nfs/dbraw/zinc/26/86/76/455268676.db2.gz PQGFRBYONUTSSS-MAUKXSAKSA-N 2 2 338.854 3.408 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241644379 455268683 /nfs/dbraw/zinc/26/86/83/455268683.db2.gz PQGFRBYONUTSSS-MAUKXSAKSA-N 2 2 338.854 3.408 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000158071360 455266441 /nfs/dbraw/zinc/26/64/41/455266441.db2.gz GNHKZWDTYLGRIN-UHFFFAOYSA-N 2 2 348.539 3.009 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000158071360 455266443 /nfs/dbraw/zinc/26/64/43/455266443.db2.gz GNHKZWDTYLGRIN-UHFFFAOYSA-N 2 2 348.539 3.009 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)CC1 ZINC000158071360 455266445 /nfs/dbraw/zinc/26/64/45/455266445.db2.gz GNHKZWDTYLGRIN-UHFFFAOYSA-N 2 2 348.539 3.009 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)CC1 ZINC000158071360 455266448 /nfs/dbraw/zinc/26/64/48/455266448.db2.gz GNHKZWDTYLGRIN-UHFFFAOYSA-N 2 2 348.539 3.009 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451923 455304309 /nfs/dbraw/zinc/30/43/09/455304309.db2.gz PXXYHVBYJSBMPV-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451923 455304313 /nfs/dbraw/zinc/30/43/13/455304313.db2.gz PXXYHVBYJSBMPV-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451923 455304318 /nfs/dbraw/zinc/30/43/18/455304318.db2.gz PXXYHVBYJSBMPV-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451923 455304321 /nfs/dbraw/zinc/30/43/21/455304321.db2.gz PXXYHVBYJSBMPV-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)s1 ZINC000159054196 455348121 /nfs/dbraw/zinc/34/81/21/455348121.db2.gz ZBSGHRHIVYSLCQ-CYBMUJFWSA-N 2 2 325.522 3.165 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245681775 455354284 /nfs/dbraw/zinc/35/42/84/455354284.db2.gz PDSKPGVXYNXSSG-WBAXXEDZSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245681775 455354287 /nfs/dbraw/zinc/35/42/87/455354287.db2.gz PDSKPGVXYNXSSG-WBAXXEDZSA-N 2 2 340.471 3.410 20 0 EGADLP CCn1nccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693517 455357921 /nfs/dbraw/zinc/35/79/21/455357921.db2.gz BVTJWNUBEDAENI-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693517 455357924 /nfs/dbraw/zinc/35/79/24/455357924.db2.gz BVTJWNUBEDAENI-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693517 455357930 /nfs/dbraw/zinc/35/79/30/455357930.db2.gz BVTJWNUBEDAENI-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693517 455357934 /nfs/dbraw/zinc/35/79/34/455357934.db2.gz BVTJWNUBEDAENI-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)ccc1OC ZINC000013734209 453486346 /nfs/dbraw/zinc/48/63/46/453486346.db2.gz KSOQOWXMAJPKSH-UHFFFAOYSA-N 2 2 329.282 3.279 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569616 453888464 /nfs/dbraw/zinc/88/84/64/453888464.db2.gz XHYHBZIKKWIYAV-FQEVSTJZSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569616 453888466 /nfs/dbraw/zinc/88/84/66/453888466.db2.gz XHYHBZIKKWIYAV-FQEVSTJZSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569616 453888467 /nfs/dbraw/zinc/88/84/67/453888467.db2.gz XHYHBZIKKWIYAV-FQEVSTJZSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569616 453888469 /nfs/dbraw/zinc/88/84/69/453888469.db2.gz XHYHBZIKKWIYAV-FQEVSTJZSA-N 2 2 345.531 3.087 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245800448 455380938 /nfs/dbraw/zinc/38/09/38/455380938.db2.gz XTHLMTYVWKVOBM-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245800448 455380939 /nfs/dbraw/zinc/38/09/39/455380939.db2.gz XTHLMTYVWKVOBM-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860299 453932332 /nfs/dbraw/zinc/93/23/32/453932332.db2.gz IVCHWMAJYLZVMM-FCEWJHQRSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860299 453932334 /nfs/dbraw/zinc/93/23/34/453932334.db2.gz IVCHWMAJYLZVMM-FCEWJHQRSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860299 453932338 /nfs/dbraw/zinc/93/23/38/453932338.db2.gz IVCHWMAJYLZVMM-FCEWJHQRSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860299 453932339 /nfs/dbraw/zinc/93/23/39/453932339.db2.gz IVCHWMAJYLZVMM-FCEWJHQRSA-N 2 2 349.494 3.198 20 0 EGADLP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000174401748 455387229 /nfs/dbraw/zinc/38/72/29/455387229.db2.gz IKJGMWPKZPDNCG-QGZVFWFLSA-N 2 2 349.862 3.274 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000190943059 455411768 /nfs/dbraw/zinc/41/17/68/455411768.db2.gz KPOGIGZJNBYHQM-UHFFFAOYSA-N 2 2 327.476 3.303 20 0 EGADLP CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000069710832 454136160 /nfs/dbraw/zinc/13/61/60/454136160.db2.gz UXUQRERBFSRXIC-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP COC(=O)c1occc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889236 454155352 /nfs/dbraw/zinc/15/53/52/454155352.db2.gz NLSMHEBTTDPPPJ-UHFFFAOYSA-N 2 2 334.460 3.154 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(CO)o1 ZINC000089930204 454238564 /nfs/dbraw/zinc/23/85/64/454238564.db2.gz KXWCDPPZRXKRHR-NYTJIUQPSA-N 2 2 328.456 3.018 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(CO)o1 ZINC000089930204 454238565 /nfs/dbraw/zinc/23/85/65/454238565.db2.gz KXWCDPPZRXKRHR-NYTJIUQPSA-N 2 2 328.456 3.018 20 0 EGADLP CCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)o1 ZINC000131171501 454238998 /nfs/dbraw/zinc/23/89/98/454238998.db2.gz HPJWKRRWYONTLU-MRXNPFEDSA-N 2 2 328.456 3.353 20 0 EGADLP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)o1 ZINC000131171501 454239001 /nfs/dbraw/zinc/23/90/01/454239001.db2.gz HPJWKRRWYONTLU-MRXNPFEDSA-N 2 2 328.456 3.353 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC000095964080 454240131 /nfs/dbraw/zinc/24/01/31/454240131.db2.gz VHMACAXRCZMIPI-AWEZNQCLSA-N 2 2 332.473 3.215 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC000095964080 454240135 /nfs/dbraw/zinc/24/01/35/454240135.db2.gz VHMACAXRCZMIPI-AWEZNQCLSA-N 2 2 332.473 3.215 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCCC2 ZINC000089986166 454254378 /nfs/dbraw/zinc/25/43/78/454254378.db2.gz QTRJVXSCRXOOAL-PMACEKPBSA-N 2 2 343.515 3.373 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCCC2 ZINC000089986170 454254873 /nfs/dbraw/zinc/25/48/73/454254873.db2.gz QTRJVXSCRXOOAL-UXHICEINSA-N 2 2 343.515 3.373 20 0 EGADLP Cc1cc(NC2CCC(Nc3cc(C)[nH+]c(C)n3)CC2)nc(C)[nH+]1 ZINC000046720048 454275950 /nfs/dbraw/zinc/27/59/50/454275950.db2.gz NRFIXLYCZHQGGV-UHFFFAOYSA-N 2 2 326.448 3.335 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000090187580 454291814 /nfs/dbraw/zinc/29/18/14/454291814.db2.gz XJUGETNCRLDPGL-XLIONFOSSA-N 2 2 328.456 3.130 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000090187580 454291818 /nfs/dbraw/zinc/29/18/18/454291818.db2.gz XJUGETNCRLDPGL-XLIONFOSSA-N 2 2 328.456 3.130 20 0 EGADLP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090218518 454294247 /nfs/dbraw/zinc/29/42/47/454294247.db2.gz IALAOPSCNIMFJM-YLJYHZDGSA-N 2 2 331.504 3.087 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C[C@@H]1OC ZINC000090461800 454309079 /nfs/dbraw/zinc/30/90/79/454309079.db2.gz VHHRYDPPBWKQJG-NBYUQASBSA-N 2 2 345.531 3.475 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C[C@@H]1OC ZINC000090461800 454309085 /nfs/dbraw/zinc/30/90/85/454309085.db2.gz VHHRYDPPBWKQJG-NBYUQASBSA-N 2 2 345.531 3.475 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062426606 454376386 /nfs/dbraw/zinc/37/63/86/454376386.db2.gz CRVGPLQINLKUQR-QGZVFWFLSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426606 454376389 /nfs/dbraw/zinc/37/63/89/454376389.db2.gz CRVGPLQINLKUQR-QGZVFWFLSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000047511371 454379715 /nfs/dbraw/zinc/37/97/15/454379715.db2.gz SCFPBKLEIAJFSQ-IYBDPMFKSA-N 2 2 340.471 3.315 20 0 EGADLP Cc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000047511371 454379723 /nfs/dbraw/zinc/37/97/23/454379723.db2.gz SCFPBKLEIAJFSQ-IYBDPMFKSA-N 2 2 340.471 3.315 20 0 EGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000121089243 454390021 /nfs/dbraw/zinc/39/00/21/454390021.db2.gz VKCKCUDRRBTBSB-UHFFFAOYSA-N 2 2 338.455 3.485 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000098143798 454461668 /nfs/dbraw/zinc/46/16/68/454461668.db2.gz YCDHQNMCEQFTPJ-RHSMWYFYSA-N 2 2 344.421 3.449 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000121795372 454478508 /nfs/dbraw/zinc/47/85/08/454478508.db2.gz DJEZSZHZFKVIPY-RDTXWAMCSA-N 2 2 325.412 3.216 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000246222270 455451476 /nfs/dbraw/zinc/45/14/76/455451476.db2.gz QUHNOZKUCYQNJZ-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000246222270 455451483 /nfs/dbraw/zinc/45/14/83/455451483.db2.gz QUHNOZKUCYQNJZ-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000074194234 454543077 /nfs/dbraw/zinc/54/30/77/454543077.db2.gz XAPYHLNHCBUXHV-UHFFFAOYSA-N 2 2 340.471 3.126 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000080339157 454568751 /nfs/dbraw/zinc/56/87/51/454568751.db2.gz BRNLZMORABICHX-IEBWSBKVSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000080339157 454568754 /nfs/dbraw/zinc/56/87/54/454568754.db2.gz BRNLZMORABICHX-IEBWSBKVSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134622836 454570052 /nfs/dbraw/zinc/57/00/52/454570052.db2.gz DKPAAVRMUPTERI-INIZCTEOSA-N 2 2 346.434 3.258 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000134622836 454570056 /nfs/dbraw/zinc/57/00/56/454570056.db2.gz DKPAAVRMUPTERI-INIZCTEOSA-N 2 2 346.434 3.258 20 0 EGADLP Cc1cnc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000122928731 454583654 /nfs/dbraw/zinc/58/36/54/454583654.db2.gz TUFDYNFWJKUUCT-UHFFFAOYSA-N 2 2 333.476 3.387 20 0 EGADLP C[C@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+]1CCCCCC1 ZINC000074505117 454593260 /nfs/dbraw/zinc/59/32/60/454593260.db2.gz IJUIVSTZHPKILT-OAHLLOKOSA-N 2 2 326.444 3.290 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000092666139 454605495 /nfs/dbraw/zinc/60/54/95/454605495.db2.gz QBFHFYPEPPCKIY-IYBDPMFKSA-N 2 2 348.560 3.011 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000092666139 454605501 /nfs/dbraw/zinc/60/55/01/454605501.db2.gz QBFHFYPEPPCKIY-IYBDPMFKSA-N 2 2 348.560 3.011 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3cccc(F)c3)c2cc1C ZINC000051114674 454609632 /nfs/dbraw/zinc/60/96/32/454609632.db2.gz MOBNNQJHBNJHSC-GOSISDBHSA-N 2 2 341.430 3.285 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3cccc(F)c3)c2cc1C ZINC000051114674 454609635 /nfs/dbraw/zinc/60/96/35/454609635.db2.gz MOBNNQJHBNJHSC-GOSISDBHSA-N 2 2 341.430 3.285 20 0 EGADLP Clc1ccc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134937851 454612901 /nfs/dbraw/zinc/61/29/01/454612901.db2.gz FAHUVFXDOLTOOO-KDOFPFPSSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2c1 ZINC000134937851 454612909 /nfs/dbraw/zinc/61/29/09/454612909.db2.gz FAHUVFXDOLTOOO-KDOFPFPSSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000134937851 454612917 /nfs/dbraw/zinc/61/29/17/454612917.db2.gz FAHUVFXDOLTOOO-KDOFPFPSSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000134937851 454612923 /nfs/dbraw/zinc/61/29/23/454612923.db2.gz FAHUVFXDOLTOOO-KDOFPFPSSA-N 2 2 344.890 3.436 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000106116668 454679365 /nfs/dbraw/zinc/67/93/65/454679365.db2.gz FHSMSILXEAREBY-IBGZPJMESA-N 2 2 338.451 3.212 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000106116668 454679368 /nfs/dbraw/zinc/67/93/68/454679368.db2.gz FHSMSILXEAREBY-IBGZPJMESA-N 2 2 338.451 3.212 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318336 454702997 /nfs/dbraw/zinc/70/29/97/454702997.db2.gz XHPHHPNACRYWHN-WMZOPIPTSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318336 454703000 /nfs/dbraw/zinc/70/30/00/454703000.db2.gz XHPHHPNACRYWHN-WMZOPIPTSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318336 454703003 /nfs/dbraw/zinc/70/30/03/454703003.db2.gz XHPHHPNACRYWHN-WMZOPIPTSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318336 454703008 /nfs/dbraw/zinc/70/30/08/454703008.db2.gz XHPHHPNACRYWHN-WMZOPIPTSA-N 2 2 328.456 3.257 20 0 EGADLP FC(F)(F)c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000635007165 460650139 /nfs/dbraw/zinc/65/01/39/460650139.db2.gz FGNDVTIRAFWSIV-CABCVRRESA-N 2 2 348.796 3.215 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000124352276 454721576 /nfs/dbraw/zinc/72/15/76/454721576.db2.gz QNXIQBNCTJXJTB-UHFFFAOYSA-N 2 2 328.460 3.141 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000124352276 454721579 /nfs/dbraw/zinc/72/15/79/454721579.db2.gz QNXIQBNCTJXJTB-UHFFFAOYSA-N 2 2 328.460 3.141 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000176391334 454738317 /nfs/dbraw/zinc/73/83/17/454738317.db2.gz WQGVJISQZHMPSL-HSALFYBXSA-N 2 2 346.540 3.295 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)C2)cc1 ZINC000176391334 454738321 /nfs/dbraw/zinc/73/83/21/454738321.db2.gz WQGVJISQZHMPSL-HSALFYBXSA-N 2 2 346.540 3.295 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000093866291 454742011 /nfs/dbraw/zinc/74/20/11/454742011.db2.gz RWWCUVCOSKRDBF-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000093866291 454742016 /nfs/dbraw/zinc/74/20/16/454742016.db2.gz RWWCUVCOSKRDBF-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(F)cc1 ZINC000635013646 460655311 /nfs/dbraw/zinc/65/53/11/460655311.db2.gz ZVNOJVWFDJVPNX-CZUORRHYSA-N 2 2 345.466 3.144 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687526 454760485 /nfs/dbraw/zinc/76/04/85/454760485.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687526 454760489 /nfs/dbraw/zinc/76/04/89/454760489.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124687526 454760491 /nfs/dbraw/zinc/76/04/91/454760491.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124687526 454760493 /nfs/dbraw/zinc/76/04/93/454760493.db2.gz DSUNOAMJWIFKFP-BEBTZSGWSA-N 3 2 329.532 3.215 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)nc1 ZINC000162277903 454764551 /nfs/dbraw/zinc/76/45/51/454764551.db2.gz OWVOVTWNSMEWPS-UHFFFAOYSA-N 3 2 342.531 3.043 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000153307198 454781108 /nfs/dbraw/zinc/78/11/08/454781108.db2.gz CJOGVOWDVMULPH-PBHICJAKSA-N 2 2 342.430 3.297 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000153345607 454784862 /nfs/dbraw/zinc/78/48/62/454784862.db2.gz PUJXXJYQPYSIMM-UONOGXRCSA-N 2 2 346.393 3.204 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000153387284 454788536 /nfs/dbraw/zinc/78/85/36/454788536.db2.gz FJSUZDIGIXXQEI-MNEFBYGVSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000153387284 454788540 /nfs/dbraw/zinc/78/85/40/454788540.db2.gz FJSUZDIGIXXQEI-MNEFBYGVSA-N 2 2 335.923 3.407 20 0 EGADLP Cc1nc(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cs1 ZINC000125063523 454794422 /nfs/dbraw/zinc/79/44/22/454794422.db2.gz MBRYZXYLWJZSGD-UHFFFAOYSA-N 2 2 344.528 3.028 20 0 EGADLP Cc1nc(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cs1 ZINC000125063523 454794425 /nfs/dbraw/zinc/79/44/25/454794425.db2.gz MBRYZXYLWJZSGD-UHFFFAOYSA-N 2 2 344.528 3.028 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163437898 454847328 /nfs/dbraw/zinc/84/73/28/454847328.db2.gz NWZVRDKGWBTVMW-NVXWUHKLSA-N 2 2 341.455 3.455 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163437898 454847333 /nfs/dbraw/zinc/84/73/33/454847333.db2.gz NWZVRDKGWBTVMW-NVXWUHKLSA-N 2 2 341.455 3.455 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000154304604 454883394 /nfs/dbraw/zinc/88/33/94/454883394.db2.gz ZJWNWXJRMOTRPZ-YLJYHZDGSA-N 2 2 328.456 3.442 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150754786 454886485 /nfs/dbraw/zinc/88/64/85/454886485.db2.gz USVCRFKOGNUHFV-JKSUJKDBSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150754786 454886490 /nfs/dbraw/zinc/88/64/90/454886490.db2.gz USVCRFKOGNUHFV-JKSUJKDBSA-N 2 2 349.906 3.393 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000164959215 454892057 /nfs/dbraw/zinc/89/20/57/454892057.db2.gz NSMGIBHRHPSBGF-FXAWDEMLSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000164959215 454892058 /nfs/dbraw/zinc/89/20/58/454892058.db2.gz NSMGIBHRHPSBGF-FXAWDEMLSA-N 2 2 337.467 3.268 20 0 EGADLP CCCC[N@H+](C)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112639017 454893881 /nfs/dbraw/zinc/89/38/81/454893881.db2.gz SWEZBKYPUNECHH-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP CCCC[N@@H+](C)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112639017 454893883 /nfs/dbraw/zinc/89/38/83/454893883.db2.gz SWEZBKYPUNECHH-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000165351827 454898506 /nfs/dbraw/zinc/89/85/06/454898506.db2.gz RMXRLZCBIJVECE-IBGZPJMESA-N 2 2 330.451 3.265 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165396955 454900009 /nfs/dbraw/zinc/90/00/09/454900009.db2.gz CWJUQTVJYHTCGR-LJQANCHMSA-N 2 2 342.462 3.191 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166364119 454910434 /nfs/dbraw/zinc/91/04/34/454910434.db2.gz KDOBUIUFIIAVGO-KRWDZBQOSA-N 2 2 332.879 3.326 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166533111 454912756 /nfs/dbraw/zinc/91/27/56/454912756.db2.gz NRAWXISIUNSNRG-GFCCVEGCSA-N 2 2 334.261 3.168 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166533111 454912759 /nfs/dbraw/zinc/91/27/59/454912759.db2.gz NRAWXISIUNSNRG-GFCCVEGCSA-N 2 2 334.261 3.168 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000151114877 454940227 /nfs/dbraw/zinc/94/02/27/454940227.db2.gz HXPXGAIEZRQRFB-CYBMUJFWSA-N 2 2 341.381 3.035 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000151114877 454940231 /nfs/dbraw/zinc/94/02/31/454940231.db2.gz HXPXGAIEZRQRFB-CYBMUJFWSA-N 2 2 341.381 3.035 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151133038 454942804 /nfs/dbraw/zinc/94/28/04/454942804.db2.gz XPMSNNVEIRPXJY-HNNXBMFYSA-N 2 2 345.409 3.186 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151133038 454942809 /nfs/dbraw/zinc/94/28/09/454942809.db2.gz XPMSNNVEIRPXJY-HNNXBMFYSA-N 2 2 345.409 3.186 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)n2)ccc1F ZINC000114479943 454956525 /nfs/dbraw/zinc/95/65/25/454956525.db2.gz IXXUEWCIAJSMJI-ZIAGYGMSSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)n2)ccc1F ZINC000114479943 454956530 /nfs/dbraw/zinc/95/65/30/454956530.db2.gz IXXUEWCIAJSMJI-ZIAGYGMSSA-N 2 2 332.423 3.129 20 0 EGADLP CC[C@@H](NC[C@H](Cc1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182358914 455496862 /nfs/dbraw/zinc/49/68/62/455496862.db2.gz KKKCJTNTHDPXNV-RBUKOAKNSA-N 2 2 328.504 3.414 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359297 454991551 /nfs/dbraw/zinc/99/15/51/454991551.db2.gz UUBPNCJGFUMZAP-CVEARBPZSA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359297 454991555 /nfs/dbraw/zinc/99/15/55/454991555.db2.gz UUBPNCJGFUMZAP-CVEARBPZSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359297 454991559 /nfs/dbraw/zinc/99/15/59/454991559.db2.gz UUBPNCJGFUMZAP-CVEARBPZSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359297 454991562 /nfs/dbraw/zinc/99/15/62/454991562.db2.gz UUBPNCJGFUMZAP-CVEARBPZSA-N 2 2 328.485 3.121 20 0 EGADLP Brc1ccc(OCC[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000179423645 455046841 /nfs/dbraw/zinc/04/68/41/455046841.db2.gz UHJJPNXHSKZKGR-UHFFFAOYSA-N 2 2 346.228 3.265 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128588702 455070247 /nfs/dbraw/zinc/07/02/47/455070247.db2.gz SDRWZEVDHJXJGQ-HZPDHXFCSA-N 2 2 339.549 3.493 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128588702 455070249 /nfs/dbraw/zinc/07/02/49/455070249.db2.gz SDRWZEVDHJXJGQ-HZPDHXFCSA-N 2 2 339.549 3.493 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000179857302 455089851 /nfs/dbraw/zinc/08/98/51/455089851.db2.gz NMNPZDDOPPZYOB-UHFFFAOYSA-N 2 2 338.455 3.219 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc([S@](C)=O)cc1 ZINC000152249778 455092594 /nfs/dbraw/zinc/09/25/94/455092594.db2.gz KUBXZAREVUFAHL-OYLFLEFRSA-N 2 2 339.464 3.461 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000152376265 455109466 /nfs/dbraw/zinc/10/94/66/455109466.db2.gz UAIVUADQCWZPOW-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000152376265 455109468 /nfs/dbraw/zinc/10/94/68/455109468.db2.gz UAIVUADQCWZPOW-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000152376265 455109471 /nfs/dbraw/zinc/10/94/71/455109471.db2.gz UAIVUADQCWZPOW-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152376265 455109474 /nfs/dbraw/zinc/10/94/74/455109474.db2.gz UAIVUADQCWZPOW-INIZCTEOSA-N 2 2 331.504 3.196 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152411847 455115515 /nfs/dbraw/zinc/11/55/15/455115515.db2.gz LEZARKXMABXVJN-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152411847 455115520 /nfs/dbraw/zinc/11/55/20/455115520.db2.gz LEZARKXMABXVJN-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152411847 455115524 /nfs/dbraw/zinc/11/55/24/455115524.db2.gz LEZARKXMABXVJN-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152411847 455115526 /nfs/dbraw/zinc/11/55/26/455115526.db2.gz LEZARKXMABXVJN-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3nc(-c4ccccn4)cs3)n2c1 ZINC000156983426 455159700 /nfs/dbraw/zinc/15/97/00/455159700.db2.gz KCRHJRIKNLMXOG-UHFFFAOYSA-N 2 2 349.463 3.494 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000237331278 455174108 /nfs/dbraw/zinc/17/41/08/455174108.db2.gz XXIMBDDKNWTHSF-QWHCGFSZSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000237331278 455174112 /nfs/dbraw/zinc/17/41/12/455174112.db2.gz XXIMBDDKNWTHSF-QWHCGFSZSA-N 2 2 343.393 3.106 20 0 EGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189386492 455188354 /nfs/dbraw/zinc/18/83/54/455188354.db2.gz HUHBOAQQTDMLBQ-ROUUACIJSA-N 2 2 340.870 3.337 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442826 455301691 /nfs/dbraw/zinc/30/16/91/455301691.db2.gz WQKBPUVPRBJJKW-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442826 455301697 /nfs/dbraw/zinc/30/16/97/455301697.db2.gz WQKBPUVPRBJJKW-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442826 455301698 /nfs/dbraw/zinc/30/16/98/455301698.db2.gz WQKBPUVPRBJJKW-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442826 455301701 /nfs/dbraw/zinc/30/17/01/455301701.db2.gz WQKBPUVPRBJJKW-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442763 455302230 /nfs/dbraw/zinc/30/22/30/455302230.db2.gz IHMYMNLVRZOFNM-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442763 455302235 /nfs/dbraw/zinc/30/22/35/455302235.db2.gz IHMYMNLVRZOFNM-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442763 455302239 /nfs/dbraw/zinc/30/22/39/455302239.db2.gz IHMYMNLVRZOFNM-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000245442763 455302243 /nfs/dbraw/zinc/30/22/43/455302243.db2.gz IHMYMNLVRZOFNM-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446757 455303381 /nfs/dbraw/zinc/30/33/81/455303381.db2.gz LLDMOAAWCPOMTH-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446757 455303385 /nfs/dbraw/zinc/30/33/85/455303385.db2.gz LLDMOAAWCPOMTH-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446757 455303387 /nfs/dbraw/zinc/30/33/87/455303387.db2.gz LLDMOAAWCPOMTH-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446757 455303392 /nfs/dbraw/zinc/30/33/92/455303392.db2.gz LLDMOAAWCPOMTH-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245456240 455306223 /nfs/dbraw/zinc/30/62/23/455306223.db2.gz SYDQVFVFKHLLEK-MOPGFXCFSA-N 2 2 345.531 3.006 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245456240 455306227 /nfs/dbraw/zinc/30/62/27/455306227.db2.gz SYDQVFVFKHLLEK-MOPGFXCFSA-N 2 2 345.531 3.006 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460729 455307803 /nfs/dbraw/zinc/30/78/03/455307803.db2.gz VYVVGHFEGMESFJ-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460729 455307806 /nfs/dbraw/zinc/30/78/06/455307806.db2.gz VYVVGHFEGMESFJ-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460729 455307809 /nfs/dbraw/zinc/30/78/09/455307809.db2.gz VYVVGHFEGMESFJ-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000245460729 455307813 /nfs/dbraw/zinc/30/78/13/455307813.db2.gz VYVVGHFEGMESFJ-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158927990 455338642 /nfs/dbraw/zinc/33/86/42/455338642.db2.gz VZPPTTSJSYNWJH-YJBOKZPZSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158927990 455338649 /nfs/dbraw/zinc/33/86/49/455338649.db2.gz VZPPTTSJSYNWJH-YJBOKZPZSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158927990 455338652 /nfs/dbraw/zinc/33/86/52/455338652.db2.gz VZPPTTSJSYNWJH-YJBOKZPZSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000158927990 455338658 /nfs/dbraw/zinc/33/86/58/455338658.db2.gz VZPPTTSJSYNWJH-YJBOKZPZSA-N 2 2 329.419 3.397 20 0 EGADLP CCCc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158941413 455340019 /nfs/dbraw/zinc/34/00/19/455340019.db2.gz HYIQNTGOJMHUKQ-MRXNPFEDSA-N 2 2 334.508 3.499 20 0 EGADLP CCCc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158941413 455340023 /nfs/dbraw/zinc/34/00/23/455340023.db2.gz HYIQNTGOJMHUKQ-MRXNPFEDSA-N 2 2 334.508 3.499 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964458 455406063 /nfs/dbraw/zinc/40/60/63/455406063.db2.gz MSNXUDDVKJVJNC-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964458 455406064 /nfs/dbraw/zinc/40/60/64/455406064.db2.gz MSNXUDDVKJVJNC-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964458 455406067 /nfs/dbraw/zinc/40/60/67/455406067.db2.gz MSNXUDDVKJVJNC-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964458 455406071 /nfs/dbraw/zinc/40/60/71/455406071.db2.gz MSNXUDDVKJVJNC-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000182054346 455424799 /nfs/dbraw/zinc/42/47/99/455424799.db2.gz XINQJGLPYWSXBR-NMLACTOBSA-N 2 2 343.515 3.400 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000246167938 455439640 /nfs/dbraw/zinc/43/96/40/455439640.db2.gz IVRXKROOHIWEJW-ICSRJNTNSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000246167938 455439645 /nfs/dbraw/zinc/43/96/45/455439645.db2.gz IVRXKROOHIWEJW-ICSRJNTNSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000246167938 455439649 /nfs/dbraw/zinc/43/96/49/455439649.db2.gz IVRXKROOHIWEJW-ICSRJNTNSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000246167938 455439653 /nfs/dbraw/zinc/43/96/53/455439653.db2.gz IVRXKROOHIWEJW-ICSRJNTNSA-N 2 2 345.531 3.308 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246195490 455445828 /nfs/dbraw/zinc/44/58/28/455445828.db2.gz MVOMCCDVOSIFDD-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246195490 455445831 /nfs/dbraw/zinc/44/58/31/455445831.db2.gz MVOMCCDVOSIFDD-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884166 455469046 /nfs/dbraw/zinc/46/90/46/455469046.db2.gz BBLQKFBTSSLUKY-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884166 455469049 /nfs/dbraw/zinc/46/90/49/455469049.db2.gz BBLQKFBTSSLUKY-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246500506 455502809 /nfs/dbraw/zinc/50/28/09/455502809.db2.gz SOKSNXLPJIUAIT-CLCXKQKWSA-N 2 2 342.487 3.290 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246500506 455502812 /nfs/dbraw/zinc/50/28/12/455502812.db2.gz SOKSNXLPJIUAIT-CLCXKQKWSA-N 2 2 342.487 3.290 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@H](C)c3[nH+]ccn3C)c(C)c2)CC1 ZINC000182566062 455542487 /nfs/dbraw/zinc/54/24/87/455542487.db2.gz WVAIVNSQCYQOOB-MRXNPFEDSA-N 2 2 327.476 3.044 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192055791 455549733 /nfs/dbraw/zinc/54/97/33/455549733.db2.gz HBSFYGNEACSHAJ-UHFFFAOYSA-N 3 2 326.488 3.487 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192055791 455549737 /nfs/dbraw/zinc/54/97/37/455549737.db2.gz HBSFYGNEACSHAJ-UHFFFAOYSA-N 3 2 326.488 3.487 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000247096707 455558636 /nfs/dbraw/zinc/55/86/36/455558636.db2.gz OKMOYNDTPFTJPF-WIYYLYMNSA-N 2 2 339.483 3.098 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000247096707 455558638 /nfs/dbraw/zinc/55/86/38/455558638.db2.gz OKMOYNDTPFTJPF-WIYYLYMNSA-N 2 2 339.483 3.098 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000247236059 455577493 /nfs/dbraw/zinc/57/74/93/455577493.db2.gz YOBMKWKQTSMAEV-YHELAOLJSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000247236059 455577498 /nfs/dbraw/zinc/57/74/98/455577498.db2.gz YOBMKWKQTSMAEV-YHELAOLJSA-N 2 2 345.531 3.477 20 0 EGADLP COCCOc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185675661 455594271 /nfs/dbraw/zinc/59/42/71/455594271.db2.gz KVTRGFBPJAQPNQ-UTKZUKDTSA-N 2 2 342.483 3.493 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717069 455604838 /nfs/dbraw/zinc/60/48/38/455604838.db2.gz QLNYBZAMYVUALA-GOEBONIOSA-N 2 2 343.519 3.233 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717069 455604842 /nfs/dbraw/zinc/60/48/42/455604842.db2.gz QLNYBZAMYVUALA-GOEBONIOSA-N 2 2 343.519 3.233 20 0 EGADLP Cc1noc(CCC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000271432248 455634853 /nfs/dbraw/zinc/63/48/53/455634853.db2.gz DZEZCLKMXFNPDW-UHFFFAOYSA-N 2 2 348.878 3.218 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271459458 455644923 /nfs/dbraw/zinc/64/49/23/455644923.db2.gz HFYQMEIZOAEFRO-IFOZYUSPSA-N 2 2 328.859 3.485 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271459458 455644928 /nfs/dbraw/zinc/64/49/28/455644928.db2.gz HFYQMEIZOAEFRO-IFOZYUSPSA-N 2 2 328.859 3.485 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000247888365 455652783 /nfs/dbraw/zinc/65/27/83/455652783.db2.gz DOKQJLHNYJZVJE-RDJZCZTQSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000247888365 455652784 /nfs/dbraw/zinc/65/27/84/455652784.db2.gz DOKQJLHNYJZVJE-RDJZCZTQSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000284492184 455694575 /nfs/dbraw/zinc/69/45/75/455694575.db2.gz XBSHILZVZJGPIJ-UHFFFAOYSA-N 2 2 339.418 3.389 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1)C(=O)OC ZINC000192831275 455701930 /nfs/dbraw/zinc/70/19/30/455701930.db2.gz BHMKXNKWDKXRCY-HXUWFJFHSA-N 2 2 340.467 3.456 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268851816 455716181 /nfs/dbraw/zinc/71/61/81/455716181.db2.gz WNNYQPKCKXEEKO-HXUWFJFHSA-N 2 2 338.499 3.094 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887941 455719917 /nfs/dbraw/zinc/71/99/17/455719917.db2.gz IWPSSQDTSOOJMZ-HKUYNNGSSA-N 2 2 339.483 3.375 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887941 455719923 /nfs/dbraw/zinc/71/99/23/455719923.db2.gz IWPSSQDTSOOJMZ-HKUYNNGSSA-N 2 2 339.483 3.375 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccs2)C[N@@H+]1Cc1ccccc1 ZINC000268963860 455746465 /nfs/dbraw/zinc/74/64/65/455746465.db2.gz GILQQGNACMKOPP-AYBZRNKSSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cccs2)C[N@H+]1Cc1ccccc1 ZINC000268963860 455746468 /nfs/dbraw/zinc/74/64/68/455746468.db2.gz GILQQGNACMKOPP-AYBZRNKSSA-N 2 2 330.497 3.208 20 0 EGADLP CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000268971625 455749574 /nfs/dbraw/zinc/74/95/74/455749574.db2.gz DTDKEOIXBGLKEW-UHFFFAOYSA-N 2 2 340.471 3.031 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674348 455827855 /nfs/dbraw/zinc/82/78/55/455827855.db2.gz QKDQRZDNSQHWCV-GJZGRUSLSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674348 455827860 /nfs/dbraw/zinc/82/78/60/455827860.db2.gz QKDQRZDNSQHWCV-GJZGRUSLSA-N 2 2 339.277 3.174 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)n2c1 ZINC000272075002 455839549 /nfs/dbraw/zinc/83/95/49/455839549.db2.gz VJBUZYFDTLVVPP-CQSZACIVSA-N 2 2 334.423 3.378 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285482221 455854905 /nfs/dbraw/zinc/85/49/05/455854905.db2.gz BOXNFKUUBCHVJY-QHGAOEGBSA-N 3 2 326.488 3.304 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285482221 455854909 /nfs/dbraw/zinc/85/49/09/455854909.db2.gz BOXNFKUUBCHVJY-QHGAOEGBSA-N 3 2 326.488 3.304 20 0 EGADLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270122662 455883421 /nfs/dbraw/zinc/88/34/21/455883421.db2.gz FYLROXMLIHZRAB-QGZVFWFLSA-N 2 2 337.471 3.360 20 0 EGADLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270122662 455883424 /nfs/dbraw/zinc/88/34/24/455883424.db2.gz FYLROXMLIHZRAB-QGZVFWFLSA-N 2 2 337.471 3.360 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1)C(C)C ZINC000620596476 460700348 /nfs/dbraw/zinc/70/03/48/460700348.db2.gz RGJRMURMROAXBA-OAHLLOKOSA-N 2 2 328.460 3.141 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1)C(C)C ZINC000620596476 460700352 /nfs/dbraw/zinc/70/03/52/460700352.db2.gz RGJRMURMROAXBA-OAHLLOKOSA-N 2 2 328.460 3.141 20 0 EGADLP CC(C)n1ncnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000280191202 455912050 /nfs/dbraw/zinc/91/20/50/455912050.db2.gz ZXJNWYOPPCXJCO-UHFFFAOYSA-N 2 2 341.503 3.203 20 0 EGADLP CC(C)n1ncnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000280191202 455912058 /nfs/dbraw/zinc/91/20/58/455912058.db2.gz ZXJNWYOPPCXJCO-UHFFFAOYSA-N 2 2 341.503 3.203 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270260378 455915093 /nfs/dbraw/zinc/91/50/93/455915093.db2.gz JXDAWDRJWHBONQ-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000270260378 455915097 /nfs/dbraw/zinc/91/50/97/455915097.db2.gz JXDAWDRJWHBONQ-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104928 455922192 /nfs/dbraw/zinc/92/21/92/455922192.db2.gz MUKKSINCLXJTQJ-OXQOHEQNSA-N 2 2 331.504 3.302 20 0 EGADLP Cc1nnc([C@@H](C)[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)o1 ZINC000280288843 455936757 /nfs/dbraw/zinc/93/67/57/455936757.db2.gz UGYPNSPBXWVGGU-GFCCVEGCSA-N 2 2 325.416 3.434 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477033 455963388 /nfs/dbraw/zinc/96/33/88/455963388.db2.gz SJZPFFAKJMXCPB-WMZOPIPTSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477033 455963392 /nfs/dbraw/zinc/96/33/92/455963392.db2.gz SJZPFFAKJMXCPB-WMZOPIPTSA-N 2 2 338.455 3.422 20 0 EGADLP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000261974645 455980135 /nfs/dbraw/zinc/98/01/35/455980135.db2.gz FKCJSMRBXXPGGV-LBPRGKRZSA-N 2 2 341.858 3.128 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262003928 455983524 /nfs/dbraw/zinc/98/35/24/455983524.db2.gz LNUPEDYLUGJTPJ-GOSISDBHSA-N 2 2 329.469 3.004 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262003928 455983529 /nfs/dbraw/zinc/98/35/29/455983529.db2.gz LNUPEDYLUGJTPJ-GOSISDBHSA-N 2 2 329.469 3.004 20 0 EGADLP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262082616 455994009 /nfs/dbraw/zinc/99/40/09/455994009.db2.gz TZGYRSHXOZCRRH-JXFKEZNVSA-N 2 2 332.451 3.318 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262082616 455994015 /nfs/dbraw/zinc/99/40/15/455994015.db2.gz TZGYRSHXOZCRRH-JXFKEZNVSA-N 2 2 332.451 3.318 20 0 EGADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262579691 456044584 /nfs/dbraw/zinc/04/45/84/456044584.db2.gz IJAOJKAIBVNCLJ-GOSISDBHSA-N 2 2 327.428 3.319 20 0 EGADLP CCc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]c(C)n3)CC2)cs1 ZINC000301295419 456083689 /nfs/dbraw/zinc/08/36/89/456083689.db2.gz YEMAJUMIOHTVKN-UHFFFAOYSA-N 2 2 345.516 3.436 20 0 EGADLP Cc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(C)c(C)[nH+]1 ZINC000301448556 456119478 /nfs/dbraw/zinc/11/94/78/456119478.db2.gz RILBPPXDDMLHLE-UHFFFAOYSA-N 2 2 328.435 3.253 20 0 EGADLP Cc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C)c(C)[nH+]1 ZINC000301448556 456119482 /nfs/dbraw/zinc/11/94/82/456119482.db2.gz RILBPPXDDMLHLE-UHFFFAOYSA-N 2 2 328.435 3.253 20 0 EGADLP FC(F)COCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188759313 456128961 /nfs/dbraw/zinc/12/89/61/456128961.db2.gz AQDCZGFMJGOFLH-UHFFFAOYSA-N 2 2 332.822 3.176 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289863400 456158976 /nfs/dbraw/zinc/15/89/76/456158976.db2.gz LEEFMVABGUNLHQ-HXUWFJFHSA-N 2 2 337.423 3.090 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000297296920 456176640 /nfs/dbraw/zinc/17/66/40/456176640.db2.gz AYVFSRABTRXDSO-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000297296920 456176646 /nfs/dbraw/zinc/17/66/46/456176646.db2.gz AYVFSRABTRXDSO-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000297296920 456176652 /nfs/dbraw/zinc/17/66/52/456176652.db2.gz AYVFSRABTRXDSO-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000297296920 456176655 /nfs/dbraw/zinc/17/66/55/456176655.db2.gz AYVFSRABTRXDSO-HZPDHXFCSA-N 2 2 344.528 3.498 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281258977 456181902 /nfs/dbraw/zinc/18/19/02/456181902.db2.gz XTXPHKCKMBVJFE-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281258977 456181908 /nfs/dbraw/zinc/18/19/08/456181908.db2.gz XTXPHKCKMBVJFE-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ncccc3N(C)C)CC2)C1 ZINC000289922851 456182375 /nfs/dbraw/zinc/18/23/75/456182375.db2.gz VBBJCPXTCDTDRZ-SJLPKXTDSA-N 2 2 330.520 3.280 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846328 456191812 /nfs/dbraw/zinc/19/18/12/456191812.db2.gz JUZWBAFVNODTKD-LJQANCHMSA-N 2 2 325.456 3.109 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846328 456191815 /nfs/dbraw/zinc/19/18/15/456191815.db2.gz JUZWBAFVNODTKD-LJQANCHMSA-N 2 2 325.456 3.109 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000263702101 456196628 /nfs/dbraw/zinc/19/66/28/456196628.db2.gz LSGJHWOBDJEYLM-OAQYLSRUSA-N 2 2 343.515 3.059 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000263702101 456196632 /nfs/dbraw/zinc/19/66/32/456196632.db2.gz LSGJHWOBDJEYLM-OAQYLSRUSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301817280 456222757 /nfs/dbraw/zinc/22/27/57/456222757.db2.gz HWVBDCYLONVSTO-MRXNPFEDSA-N 2 2 337.471 3.009 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301817280 456222760 /nfs/dbraw/zinc/22/27/60/456222760.db2.gz HWVBDCYLONVSTO-MRXNPFEDSA-N 2 2 337.471 3.009 20 0 EGADLP Fc1ccccc1-n1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000189090420 456223150 /nfs/dbraw/zinc/22/31/50/456223150.db2.gz MEFUVVTVSKXBKY-UHFFFAOYSA-N 2 2 325.391 3.045 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000281446079 456236400 /nfs/dbraw/zinc/23/64/00/456236400.db2.gz SLKXEUKOLRZWIL-JXFKEZNVSA-N 2 2 326.488 3.383 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000281446079 456236406 /nfs/dbraw/zinc/23/64/06/456236406.db2.gz SLKXEUKOLRZWIL-JXFKEZNVSA-N 2 2 326.488 3.383 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)n1C ZINC000623798747 460721300 /nfs/dbraw/zinc/72/13/00/460721300.db2.gz CKQAERGPLDWNGQ-OAHLLOKOSA-N 2 2 328.243 3.249 20 0 EGADLP CC(C)c1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000333711663 456252810 /nfs/dbraw/zinc/25/28/10/456252810.db2.gz SKGGHMMFBOPCEM-VQIMIIECSA-N 2 2 346.519 3.446 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290223778 456270894 /nfs/dbraw/zinc/27/08/94/456270894.db2.gz RZEMMBSSYBZOCR-NRFANRHFSA-N 2 2 342.458 3.389 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290223778 456270898 /nfs/dbraw/zinc/27/08/98/456270898.db2.gz RZEMMBSSYBZOCR-NRFANRHFSA-N 2 2 342.458 3.389 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000302063195 456278139 /nfs/dbraw/zinc/27/81/39/456278139.db2.gz USNWVNTZTRQNKM-CRAIPNDOSA-N 2 2 346.519 3.213 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000302063195 456278142 /nfs/dbraw/zinc/27/81/42/456278142.db2.gz USNWVNTZTRQNKM-CRAIPNDOSA-N 2 2 346.519 3.213 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000290314795 456288501 /nfs/dbraw/zinc/28/85/01/456288501.db2.gz CMNQFJBLJWVQOM-UHFFFAOYSA-N 2 2 349.438 3.074 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000290314795 456288507 /nfs/dbraw/zinc/28/85/07/456288507.db2.gz CMNQFJBLJWVQOM-UHFFFAOYSA-N 2 2 349.438 3.074 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340175157 456292022 /nfs/dbraw/zinc/29/20/22/456292022.db2.gz JUQVFMWIUAFPPW-ICSRJNTNSA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340175157 456292026 /nfs/dbraw/zinc/29/20/26/456292026.db2.gz JUQVFMWIUAFPPW-ICSRJNTNSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H](CCNc1[nH+]cnc2c1cnn2C(C)(C)C)[NH+]1CCCCC1 ZINC000302138467 456296764 /nfs/dbraw/zinc/29/67/64/456296764.db2.gz INKLRIFMWMIQDK-AWEZNQCLSA-N 2 2 330.480 3.258 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340184317 456296793 /nfs/dbraw/zinc/29/67/93/456296793.db2.gz PLTRVBBBMWRYOB-MDZRGWNJSA-N 2 2 348.487 3.013 20 0 EGADLP CCOC(=O)C[N@H+](CCCc1c[nH+]ccc1C)Cc1ccccc1 ZINC000347679008 456300300 /nfs/dbraw/zinc/30/03/00/456300300.db2.gz UHBKOTVPXQSNLW-UHFFFAOYSA-N 2 2 326.440 3.388 20 0 EGADLP CCOC(=O)C[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccccc1 ZINC000347679008 456300303 /nfs/dbraw/zinc/30/03/03/456300303.db2.gz UHBKOTVPXQSNLW-UHFFFAOYSA-N 2 2 326.440 3.388 20 0 EGADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352806912 456325189 /nfs/dbraw/zinc/32/51/89/456325189.db2.gz BEBKUCSUXCXOFW-OAHLLOKOSA-N 2 2 327.428 3.334 20 0 EGADLP COCC[N@H+](CCOc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000342938889 456325756 /nfs/dbraw/zinc/32/57/56/456325756.db2.gz OEMUJCDNWDWUIJ-UHFFFAOYSA-N 2 2 343.402 3.001 20 0 EGADLP COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000342938889 456325760 /nfs/dbraw/zinc/32/57/60/456325760.db2.gz OEMUJCDNWDWUIJ-UHFFFAOYSA-N 2 2 343.402 3.001 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807625 456326313 /nfs/dbraw/zinc/32/63/13/456326313.db2.gz WURCBPMJPIUBAI-RDJZCZTQSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807625 456326317 /nfs/dbraw/zinc/32/63/17/456326317.db2.gz WURCBPMJPIUBAI-RDJZCZTQSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807625 456326327 /nfs/dbraw/zinc/32/63/27/456326327.db2.gz WURCBPMJPIUBAI-RDJZCZTQSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807625 456326334 /nfs/dbraw/zinc/32/63/34/456326334.db2.gz WURCBPMJPIUBAI-RDJZCZTQSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000352820572 456336015 /nfs/dbraw/zinc/33/60/15/456336015.db2.gz ZDCYTXSTMJOHQF-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000352820572 456336021 /nfs/dbraw/zinc/33/60/21/456336021.db2.gz ZDCYTXSTMJOHQF-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000352820572 456336025 /nfs/dbraw/zinc/33/60/25/456336025.db2.gz ZDCYTXSTMJOHQF-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000352820572 456336033 /nfs/dbraw/zinc/33/60/33/456336033.db2.gz ZDCYTXSTMJOHQF-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000297997074 456341243 /nfs/dbraw/zinc/34/12/43/456341243.db2.gz ZGHVXJJRXCRZSX-UYAOXDASSA-N 2 2 327.472 3.331 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000297997074 456341249 /nfs/dbraw/zinc/34/12/49/456341249.db2.gz ZGHVXJJRXCRZSX-UYAOXDASSA-N 2 2 327.472 3.331 20 0 EGADLP COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347765049 456356562 /nfs/dbraw/zinc/35/65/62/456356562.db2.gz COODZIHTOOJPFG-CQSZACIVSA-N 2 2 333.501 3.276 20 0 EGADLP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347765049 456356564 /nfs/dbraw/zinc/35/65/64/456356564.db2.gz COODZIHTOOJPFG-CQSZACIVSA-N 2 2 333.501 3.276 20 0 EGADLP Clc1ccc(NC2CC[NH+](C3CC3)CC2)cc1C[NH+]1CCOCC1 ZINC000298099440 456364001 /nfs/dbraw/zinc/36/40/01/456364001.db2.gz NINUEPHGSGBCSV-UHFFFAOYSA-N 2 2 349.906 3.211 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000337544966 456369836 /nfs/dbraw/zinc/36/98/36/456369836.db2.gz KYIUOQAOFXFWJA-LSDHHAIUSA-N 2 2 325.403 3.190 20 0 EGADLP Cc1ccccc1C[NH+]1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000302777189 456396627 /nfs/dbraw/zinc/39/66/27/456396627.db2.gz FYJIVVPGJQCRSF-UHFFFAOYSA-N 2 2 331.851 3.097 20 0 EGADLP CN(c1ccccc1)C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347851655 456405969 /nfs/dbraw/zinc/40/59/69/456405969.db2.gz PGLZYZLWPVPCAN-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP COc1cccc(C2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000290726448 456415170 /nfs/dbraw/zinc/41/51/70/456415170.db2.gz OZMNICXNOAQOLO-UHFFFAOYSA-N 2 2 337.467 3.380 20 0 EGADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(COC)[nH+]c3ccc(F)cc32)C1 ZINC000290742681 456418948 /nfs/dbraw/zinc/41/89/48/456418948.db2.gz HNOGYYGTMPITTO-AWEZNQCLSA-N 2 2 331.435 3.298 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(COC)[nH+]c3ccc(F)cc32)C1 ZINC000290742681 456418951 /nfs/dbraw/zinc/41/89/51/456418951.db2.gz HNOGYYGTMPITTO-AWEZNQCLSA-N 2 2 331.435 3.298 20 0 EGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1NC(C)=O ZINC000347956654 456428369 /nfs/dbraw/zinc/42/83/69/456428369.db2.gz MRGHXWMGKAVITO-UHFFFAOYSA-N 2 2 327.428 3.079 20 0 EGADLP C[C@@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000302901834 456431339 /nfs/dbraw/zinc/43/13/39/456431339.db2.gz QVAWBNMVTGMQTD-OCCSQVGLSA-N 2 2 331.851 3.177 20 0 EGADLP C[C@@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000302901834 456431344 /nfs/dbraw/zinc/43/13/44/456431344.db2.gz QVAWBNMVTGMQTD-OCCSQVGLSA-N 2 2 331.851 3.177 20 0 EGADLP CCn1cc(CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000276300468 456437973 /nfs/dbraw/zinc/43/79/73/456437973.db2.gz JTCMXDAMWASLIF-UHFFFAOYSA-N 2 2 326.488 3.042 20 0 EGADLP CCn1cc(CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000276300468 456437976 /nfs/dbraw/zinc/43/79/76/456437976.db2.gz JTCMXDAMWASLIF-UHFFFAOYSA-N 2 2 326.488 3.042 20 0 EGADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000303482072 456463704 /nfs/dbraw/zinc/46/37/04/456463704.db2.gz JHWVAEZTEZLTPZ-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000303482072 456463710 /nfs/dbraw/zinc/46/37/10/456463710.db2.gz JHWVAEZTEZLTPZ-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H]1SC ZINC000298557651 456489352 /nfs/dbraw/zinc/48/93/52/456489352.db2.gz VOJALWTVHUHOBW-CGTJXYLNSA-N 2 2 333.501 3.233 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511050 456500880 /nfs/dbraw/zinc/50/08/80/456500880.db2.gz YGXXZQIGWLGUSD-SJLPKXTDSA-N 2 2 343.446 3.162 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000348130874 456504518 /nfs/dbraw/zinc/50/45/18/456504518.db2.gz NHGPPFRAKPZIOI-INIZCTEOSA-N 2 2 346.500 3.422 20 0 EGADLP CCCOc1ncccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000291082818 456521904 /nfs/dbraw/zinc/52/19/04/456521904.db2.gz GTRKBWZASJJGEJ-UHFFFAOYSA-N 2 2 345.409 3.377 20 0 EGADLP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000343314570 456524903 /nfs/dbraw/zinc/52/49/03/456524903.db2.gz WPYCILBMTUDASU-OAHLLOKOSA-N 2 2 349.906 3.030 20 0 EGADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000343314570 456524910 /nfs/dbraw/zinc/52/49/10/456524910.db2.gz WPYCILBMTUDASU-OAHLLOKOSA-N 2 2 349.906 3.030 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000291103028 456529259 /nfs/dbraw/zinc/52/92/59/456529259.db2.gz ROVDFSJVNUVERY-UHFFFAOYSA-N 2 2 330.394 3.462 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000291172145 456554080 /nfs/dbraw/zinc/55/40/80/456554080.db2.gz JYGZWBZOUUDOGJ-ZDUSSCGKSA-N 2 2 349.429 3.068 20 0 EGADLP CC(C)c1nnc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000291176347 456554547 /nfs/dbraw/zinc/55/45/47/456554547.db2.gz NVDUUNCXFMIFMX-MRXNPFEDSA-N 2 2 341.503 3.286 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000348253719 456573052 /nfs/dbraw/zinc/57/30/52/456573052.db2.gz LLKBILYPMXRVJV-UHFFFAOYSA-N 3 2 345.531 3.147 20 0 EGADLP c1ccc([C@H]2C[C@H]2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000348264220 456581332 /nfs/dbraw/zinc/58/13/32/456581332.db2.gz MZVQORYAUYCKLQ-FCHUYYIVSA-N 2 2 336.479 3.412 20 0 EGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)Nc2[nH+]cnc3c2cnn3C)c(C)c1 ZINC000337886056 456587987 /nfs/dbraw/zinc/58/79/87/456587987.db2.gz XZKGJDOCQAHSBX-KRWDZBQOSA-N 2 2 347.426 3.030 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000348305826 456610083 /nfs/dbraw/zinc/61/00/83/456610083.db2.gz APURUGRZDZXOKM-GJZGRUSLSA-N 2 2 346.441 3.436 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000282754906 456615580 /nfs/dbraw/zinc/61/55/80/456615580.db2.gz NYDVZZWEKNESDL-AOIWGVFYSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754906 456615585 /nfs/dbraw/zinc/61/55/85/456615585.db2.gz NYDVZZWEKNESDL-AOIWGVFYSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cccc2nc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000348318794 456619189 /nfs/dbraw/zinc/61/91/89/456619189.db2.gz BHAIIARNJYPDAP-PMACEKPBSA-N 2 2 346.478 3.207 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348318226 456619551 /nfs/dbraw/zinc/61/95/51/456619551.db2.gz FMCNKKLCONIDIG-NDXORKPFSA-N 2 2 345.531 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000348318226 456619557 /nfs/dbraw/zinc/61/95/57/456619557.db2.gz FMCNKKLCONIDIG-NDXORKPFSA-N 2 2 345.531 3.149 20 0 EGADLP c1nnc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc2)[nH]1 ZINC000343505299 456665422 /nfs/dbraw/zinc/66/54/22/456665422.db2.gz DDPAVPUKDYONBA-SFHVURJKSA-N 2 2 327.476 3.140 20 0 EGADLP CN(C(=O)CC[N@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353554464 456756319 /nfs/dbraw/zinc/75/63/19/456756319.db2.gz KVLWQYZRQYJFNS-UHFFFAOYSA-N 2 2 343.471 3.086 20 0 EGADLP CN(C(=O)CC[N@@H+](C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000353554464 456756324 /nfs/dbraw/zinc/75/63/24/456756324.db2.gz KVLWQYZRQYJFNS-UHFFFAOYSA-N 2 2 343.471 3.086 20 0 EGADLP CN(C(=O)CC[NH+](C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000353554464 456756332 /nfs/dbraw/zinc/75/63/32/456756332.db2.gz KVLWQYZRQYJFNS-UHFFFAOYSA-N 2 2 343.471 3.086 20 0 EGADLP CN(C(=O)CC[NH+](C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000353554464 456756337 /nfs/dbraw/zinc/75/63/37/456756337.db2.gz KVLWQYZRQYJFNS-UHFFFAOYSA-N 2 2 343.471 3.086 20 0 EGADLP CCc1nocc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000353557876 456760345 /nfs/dbraw/zinc/76/03/45/456760345.db2.gz CDFHGKZUQINTII-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000353557876 456760351 /nfs/dbraw/zinc/76/03/51/456760351.db2.gz CDFHGKZUQINTII-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000353557876 456760356 /nfs/dbraw/zinc/76/03/56/456760356.db2.gz CDFHGKZUQINTII-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000353557876 456760361 /nfs/dbraw/zinc/76/03/61/456760361.db2.gz CDFHGKZUQINTII-MSOLQXFVSA-N 2 2 325.456 3.191 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578894 456777491 /nfs/dbraw/zinc/77/74/91/456777491.db2.gz VFOGMQQNJVQFQO-ADKAHSJRSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578894 456777494 /nfs/dbraw/zinc/77/74/94/456777494.db2.gz VFOGMQQNJVQFQO-ADKAHSJRSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353578894 456777498 /nfs/dbraw/zinc/77/74/98/456777498.db2.gz VFOGMQQNJVQFQO-ADKAHSJRSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353578894 456777499 /nfs/dbraw/zinc/77/74/99/456777499.db2.gz VFOGMQQNJVQFQO-ADKAHSJRSA-N 2 2 349.519 3.117 20 0 EGADLP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301067092 456788969 /nfs/dbraw/zinc/78/89/69/456788969.db2.gz DIGDSTFMAMYSBU-SFHVURJKSA-N 2 2 340.471 3.394 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000291938804 456804546 /nfs/dbraw/zinc/80/45/46/456804546.db2.gz PQIDLUHJEMQNDR-OAHLLOKOSA-N 2 2 327.428 3.332 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000291938804 456804552 /nfs/dbraw/zinc/80/45/52/456804552.db2.gz PQIDLUHJEMQNDR-OAHLLOKOSA-N 2 2 327.428 3.332 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622391 456810836 /nfs/dbraw/zinc/81/08/36/456810836.db2.gz IPMSIJAKUIQNIH-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353622391 456810841 /nfs/dbraw/zinc/81/08/41/456810841.db2.gz IPMSIJAKUIQNIH-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]CC3(OC)CCOCC3)ccc2n1C1CC1 ZINC000338448023 456825634 /nfs/dbraw/zinc/82/56/34/456825634.db2.gz UHMSWLVQYHJCCI-UHFFFAOYSA-N 2 2 343.471 3.219 20 0 EGADLP C[C@H]1[NH2+]CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)[C@H]1C ZINC000277445682 456828121 /nfs/dbraw/zinc/82/81/21/456828121.db2.gz FSMRBTOREQWTOG-OLZOCXBDSA-N 2 2 345.830 3.350 20 0 EGADLP O[C@@]1(C[NH2+]C/C=C/c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344526229 456834771 /nfs/dbraw/zinc/83/47/71/456834771.db2.gz JHXLREALQSLZMK-HXRGIAOBSA-N 2 2 340.442 3.066 20 0 EGADLP O[C@@]1(C[NH2+]C/C=C/c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344526229 456834775 /nfs/dbraw/zinc/83/47/75/456834775.db2.gz JHXLREALQSLZMK-HXRGIAOBSA-N 2 2 340.442 3.066 20 0 EGADLP CO[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569006 456840125 /nfs/dbraw/zinc/84/01/25/456840125.db2.gz RWJXBQHKNFEARF-PWRODBHTSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569006 456840128 /nfs/dbraw/zinc/84/01/28/456840128.db2.gz RWJXBQHKNFEARF-PWRODBHTSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569006 456840132 /nfs/dbraw/zinc/84/01/32/456840132.db2.gz RWJXBQHKNFEARF-PWRODBHTSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569006 456840137 /nfs/dbraw/zinc/84/01/37/456840137.db2.gz RWJXBQHKNFEARF-PWRODBHTSA-N 2 2 339.483 3.394 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCCN3C3CC3)CC2)cc1 ZINC000277519956 456851679 /nfs/dbraw/zinc/85/16/79/456851679.db2.gz SOFOTUPTLVMJJV-OAQYLSRUSA-N 2 2 327.516 3.258 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353704186 456862698 /nfs/dbraw/zinc/86/26/98/456862698.db2.gz ABRXNOTZENIABT-XLIONFOSSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000353704186 456862701 /nfs/dbraw/zinc/86/27/01/456862701.db2.gz ABRXNOTZENIABT-XLIONFOSSA-N 2 2 332.451 3.209 20 0 EGADLP CCN(C)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000348813446 456867845 /nfs/dbraw/zinc/86/78/45/456867845.db2.gz HBMQFTRYHMCWDV-UHFFFAOYSA-N 2 2 330.476 3.085 20 0 EGADLP CCN(C)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000348813446 456867848 /nfs/dbraw/zinc/86/78/48/456867848.db2.gz HBMQFTRYHMCWDV-UHFFFAOYSA-N 2 2 330.476 3.085 20 0 EGADLP CCN(C)c1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000348813446 456867852 /nfs/dbraw/zinc/86/78/52/456867852.db2.gz HBMQFTRYHMCWDV-UHFFFAOYSA-N 2 2 330.476 3.085 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766962 456897688 /nfs/dbraw/zinc/89/76/88/456897688.db2.gz JGXNQHHACWKZKG-DNVCBOLYSA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766962 456897692 /nfs/dbraw/zinc/89/76/92/456897692.db2.gz JGXNQHHACWKZKG-DNVCBOLYSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766962 456897694 /nfs/dbraw/zinc/89/76/94/456897694.db2.gz JGXNQHHACWKZKG-DNVCBOLYSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766962 456897698 /nfs/dbraw/zinc/89/76/98/456897698.db2.gz JGXNQHHACWKZKG-DNVCBOLYSA-N 2 2 330.451 3.316 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)c2ccon2)c1)c1ccon1 ZINC000349200388 456911572 /nfs/dbraw/zinc/91/15/72/456911572.db2.gz NGFGENYXHXVSKU-KBPBESRZSA-N 2 2 326.400 3.364 20 0 EGADLP c1cn2c(cccc2C[N@H+](CCc2ccccn2)Cc2ccncc2)[nH+]1 ZINC000349243479 456921123 /nfs/dbraw/zinc/92/11/23/456921123.db2.gz MTVYPDQYJFWCGS-UHFFFAOYSA-N 2 2 343.434 3.369 20 0 EGADLP c1cn2c(cccc2C[N@@H+](CCc2ccccn2)Cc2ccncc2)[nH+]1 ZINC000349243479 456921125 /nfs/dbraw/zinc/92/11/25/456921125.db2.gz MTVYPDQYJFWCGS-UHFFFAOYSA-N 2 2 343.434 3.369 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000349320383 456940724 /nfs/dbraw/zinc/94/07/24/456940724.db2.gz VINWMWCZZDNGJM-RHSMWYFYSA-N 2 2 334.460 3.199 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000349361727 456952641 /nfs/dbraw/zinc/95/26/41/456952641.db2.gz BVOUJZDLRRVGBJ-UHFFFAOYSA-N 2 2 344.478 3.378 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000349361727 456952642 /nfs/dbraw/zinc/95/26/42/456952642.db2.gz BVOUJZDLRRVGBJ-UHFFFAOYSA-N 2 2 344.478 3.378 20 0 EGADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179300 456954760 /nfs/dbraw/zinc/95/47/60/456954760.db2.gz WLXAUPNHSZETOU-LPHOPBHVSA-N 2 2 343.471 3.059 20 0 EGADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179300 456954763 /nfs/dbraw/zinc/95/47/63/456954763.db2.gz WLXAUPNHSZETOU-LPHOPBHVSA-N 2 2 343.471 3.059 20 0 EGADLP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179297 456954966 /nfs/dbraw/zinc/95/49/66/456954966.db2.gz WLXAUPNHSZETOU-APWZRJJASA-N 2 2 343.471 3.059 20 0 EGADLP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179297 456954972 /nfs/dbraw/zinc/95/49/72/456954972.db2.gz WLXAUPNHSZETOU-APWZRJJASA-N 2 2 343.471 3.059 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc12 ZINC000349415216 456965614 /nfs/dbraw/zinc/96/56/14/456965614.db2.gz ICGGOKGKHATYJT-UHFFFAOYSA-N 2 2 338.459 3.155 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2cccc(CN3CCCC3=O)c2)c[nH+]1 ZINC000353933384 456971071 /nfs/dbraw/zinc/97/10/71/456971071.db2.gz VFPSRNCQXZXHKG-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353948399 456975826 /nfs/dbraw/zinc/97/58/26/456975826.db2.gz UMRALOBIEUNAFJ-CHWSQXEVSA-N 2 2 344.377 3.310 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353948399 456975828 /nfs/dbraw/zinc/97/58/28/456975828.db2.gz UMRALOBIEUNAFJ-CHWSQXEVSA-N 2 2 344.377 3.310 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353948401 456975923 /nfs/dbraw/zinc/97/59/23/456975923.db2.gz UMRALOBIEUNAFJ-QWHCGFSZSA-N 2 2 344.377 3.310 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353948401 456975924 /nfs/dbraw/zinc/97/59/24/456975924.db2.gz UMRALOBIEUNAFJ-QWHCGFSZSA-N 2 2 344.377 3.310 20 0 EGADLP CC[C@@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000339248801 457016738 /nfs/dbraw/zinc/01/67/38/457016738.db2.gz BGZMOJZVSRRNCV-ZWKOTPCHSA-N 2 2 340.471 3.374 20 0 EGADLP CC[C@@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000339248801 457016743 /nfs/dbraw/zinc/01/67/43/457016743.db2.gz BGZMOJZVSRRNCV-ZWKOTPCHSA-N 2 2 340.471 3.374 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)[NH+](C)C)cc1 ZINC000358925510 457036577 /nfs/dbraw/zinc/03/65/77/457036577.db2.gz FDCBTWALQFSYKZ-QUCCMNQESA-N 2 2 326.488 3.252 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093714 457058380 /nfs/dbraw/zinc/05/83/80/457058380.db2.gz QZGBATVACZDMJM-NEWSRXKRSA-N 2 2 344.499 3.361 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093714 457058384 /nfs/dbraw/zinc/05/83/84/457058384.db2.gz QZGBATVACZDMJM-NEWSRXKRSA-N 2 2 344.499 3.361 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000354106758 457065731 /nfs/dbraw/zinc/06/57/31/457065731.db2.gz LTJLXDGEBOZFPA-INIZCTEOSA-N 2 2 328.460 3.142 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000354106758 457065735 /nfs/dbraw/zinc/06/57/35/457065735.db2.gz LTJLXDGEBOZFPA-INIZCTEOSA-N 2 2 328.460 3.142 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354106758 457065736 /nfs/dbraw/zinc/06/57/36/457065736.db2.gz LTJLXDGEBOZFPA-INIZCTEOSA-N 2 2 328.460 3.142 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354106758 457065739 /nfs/dbraw/zinc/06/57/39/457065739.db2.gz LTJLXDGEBOZFPA-INIZCTEOSA-N 2 2 328.460 3.142 20 0 EGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000349822699 457067421 /nfs/dbraw/zinc/06/74/21/457067421.db2.gz QJVJJTDINZVBSL-BEFAXECRSA-N 2 2 346.496 3.044 20 0 EGADLP COc1ccsc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000349822699 457067424 /nfs/dbraw/zinc/06/74/24/457067424.db2.gz QJVJJTDINZVBSL-BEFAXECRSA-N 2 2 346.496 3.044 20 0 EGADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000339387803 457084309 /nfs/dbraw/zinc/08/43/09/457084309.db2.gz QEUWBEJEZBVTJE-CVEARBPZSA-N 2 2 346.500 3.254 20 0 EGADLP Cc1nc(C[NH+]2CCC(c3nc([C@H]([NH3+])CC(C)C)no3)CC2)cs1 ZINC000339387631 457084732 /nfs/dbraw/zinc/08/47/32/457084732.db2.gz MRKXZLBLUCNYNX-OAHLLOKOSA-N 2 2 349.504 3.260 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000359468780 457086986 /nfs/dbraw/zinc/08/69/86/457086986.db2.gz WLRULJIYNJPHJE-HLLBOEOZSA-N 2 2 329.492 3.140 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000359468780 457086992 /nfs/dbraw/zinc/08/69/92/457086992.db2.gz WLRULJIYNJPHJE-HLLBOEOZSA-N 2 2 329.492 3.140 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2OCC[NH+](C)C)c[nH+]1 ZINC000354133590 457087372 /nfs/dbraw/zinc/08/73/72/457087372.db2.gz HOQAIROMYJYJFS-UHFFFAOYSA-N 3 2 327.472 3.053 20 0 EGADLP CSCc1cnc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000339399467 457094598 /nfs/dbraw/zinc/09/45/98/457094598.db2.gz HDGIMEGTPVWQMH-UHFFFAOYSA-N 2 2 331.470 3.258 20 0 EGADLP Cc1ccc(CCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000339410361 457098247 /nfs/dbraw/zinc/09/82/47/457098247.db2.gz RIPZWSXFNLKZTN-OAQYLSRUSA-N 3 2 338.499 3.362 20 0 EGADLP Cc1ccc(CCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000339410361 457098254 /nfs/dbraw/zinc/09/82/54/457098254.db2.gz RIPZWSXFNLKZTN-OAQYLSRUSA-N 3 2 338.499 3.362 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168543 457105638 /nfs/dbraw/zinc/10/56/38/457105638.db2.gz YPWGLAUZGNLGBL-INIZCTEOSA-N 2 2 328.378 3.329 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168543 457105643 /nfs/dbraw/zinc/10/56/43/457105643.db2.gz YPWGLAUZGNLGBL-INIZCTEOSA-N 2 2 328.378 3.329 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168543 457105646 /nfs/dbraw/zinc/10/56/46/457105646.db2.gz YPWGLAUZGNLGBL-INIZCTEOSA-N 2 2 328.378 3.329 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168543 457105649 /nfs/dbraw/zinc/10/56/49/457105649.db2.gz YPWGLAUZGNLGBL-INIZCTEOSA-N 2 2 328.378 3.329 20 0 EGADLP CC(C)CC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000362833805 457115948 /nfs/dbraw/zinc/11/59/48/457115948.db2.gz GDLOZNACOXMHJV-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000362833805 457115954 /nfs/dbraw/zinc/11/59/54/457115954.db2.gz GDLOZNACOXMHJV-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433468 457116738 /nfs/dbraw/zinc/11/67/38/457116738.db2.gz LPGYWYZZKHRZGU-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433468 457116741 /nfs/dbraw/zinc/11/67/41/457116741.db2.gz LPGYWYZZKHRZGU-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433468 457116743 /nfs/dbraw/zinc/11/67/43/457116743.db2.gz LPGYWYZZKHRZGU-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433468 457116747 /nfs/dbraw/zinc/11/67/47/457116747.db2.gz LPGYWYZZKHRZGU-CTNGQTDRSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000354198749 457125823 /nfs/dbraw/zinc/12/58/23/457125823.db2.gz LLLDSTDQCNOAIX-SFHVURJKSA-N 3 2 330.520 3.152 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2coc(-c3ccc(Br)cc3)n2)CCC1 ZINC000342133400 457127576 /nfs/dbraw/zinc/12/75/76/457127576.db2.gz MYRDCWQZSLRJKN-UHFFFAOYSA-N 2 2 336.233 3.075 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354203516 457127565 /nfs/dbraw/zinc/12/75/65/457127565.db2.gz BWMJHMXYYZGMOB-AEFFLSMTSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354203516 457127570 /nfs/dbraw/zinc/12/75/70/457127570.db2.gz BWMJHMXYYZGMOB-AEFFLSMTSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354203516 457127577 /nfs/dbraw/zinc/12/75/77/457127577.db2.gz BWMJHMXYYZGMOB-AEFFLSMTSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354203516 457127583 /nfs/dbraw/zinc/12/75/83/457127583.db2.gz BWMJHMXYYZGMOB-AEFFLSMTSA-N 2 2 331.504 3.301 20 0 EGADLP CCCN(CC[NH+]1CCCC1)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000342160523 457142545 /nfs/dbraw/zinc/14/25/45/457142545.db2.gz KQHINDAKEJEPCN-UHFFFAOYSA-N 2 2 342.487 3.069 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798625 457176346 /nfs/dbraw/zinc/17/63/46/457176346.db2.gz PWPMIGHQJSTDQO-DEYYWGMASA-N 2 2 330.476 3.104 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798625 457176350 /nfs/dbraw/zinc/17/63/50/457176350.db2.gz PWPMIGHQJSTDQO-DEYYWGMASA-N 2 2 330.476 3.104 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354404661 457201297 /nfs/dbraw/zinc/20/12/97/457201297.db2.gz JENORZYZBTVDLP-ZRSLWSEBSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354404661 457201304 /nfs/dbraw/zinc/20/13/04/457201304.db2.gz JENORZYZBTVDLP-ZRSLWSEBSA-N 2 2 344.499 3.217 20 0 EGADLP Cc1c[nH+]c(CNC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)n1C ZINC000342289285 457215374 /nfs/dbraw/zinc/21/53/74/457215374.db2.gz MEYDAFPYKWMYHN-IBGZPJMESA-N 2 2 328.504 3.320 20 0 EGADLP CCC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000347231135 457301482 /nfs/dbraw/zinc/30/14/82/457301482.db2.gz YDVXLYKNNCWEAJ-AWEZNQCLSA-N 2 2 326.868 3.321 20 0 EGADLP CCC[N@@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000347231135 457301486 /nfs/dbraw/zinc/30/14/86/457301486.db2.gz YDVXLYKNNCWEAJ-AWEZNQCLSA-N 2 2 326.868 3.321 20 0 EGADLP CC(C)[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCO1 ZINC000347270046 457322936 /nfs/dbraw/zinc/32/29/36/457322936.db2.gz KMWVSAXIJBUKLR-QFBILLFUSA-N 2 2 346.519 3.228 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)c2C1 ZINC000355148765 457344684 /nfs/dbraw/zinc/34/46/84/457344684.db2.gz WAUDBWMWZWKCQF-GOSISDBHSA-N 2 2 338.455 3.371 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)c2C1 ZINC000355148765 457344690 /nfs/dbraw/zinc/34/46/90/457344690.db2.gz WAUDBWMWZWKCQF-GOSISDBHSA-N 2 2 338.455 3.371 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cn1 ZINC000332410679 457363714 /nfs/dbraw/zinc/36/37/14/457363714.db2.gz JQNJWNYTRSJVDF-OLMNPRSZSA-N 2 2 332.423 3.161 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(Br)c2OC)CC1 ZINC000360822738 457369721 /nfs/dbraw/zinc/36/97/21/457369721.db2.gz RYJXWCWCARMKTD-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(Br)c2OC)CC1 ZINC000360822738 457369726 /nfs/dbraw/zinc/36/97/26/457369726.db2.gz RYJXWCWCARMKTD-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447230 457374635 /nfs/dbraw/zinc/37/46/35/457374635.db2.gz JNUVTPRJWSOCAD-UHOSZYNNSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447230 457374639 /nfs/dbraw/zinc/37/46/39/457374639.db2.gz JNUVTPRJWSOCAD-UHOSZYNNSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447230 457374644 /nfs/dbraw/zinc/37/46/44/457374644.db2.gz JNUVTPRJWSOCAD-UHOSZYNNSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447230 457374648 /nfs/dbraw/zinc/37/46/48/457374648.db2.gz JNUVTPRJWSOCAD-UHOSZYNNSA-N 2 2 325.456 3.498 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352489271 457408552 /nfs/dbraw/zinc/40/85/52/457408552.db2.gz ZFEBYCHMWAQJLO-NVXWUHKLSA-N 2 2 343.471 3.156 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352489271 457408558 /nfs/dbraw/zinc/40/85/58/457408558.db2.gz ZFEBYCHMWAQJLO-NVXWUHKLSA-N 2 2 343.471 3.156 20 0 EGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363782285 457444722 /nfs/dbraw/zinc/44/47/22/457444722.db2.gz KNAINJMJLLBLPD-ZQIUZPCESA-N 2 2 336.863 3.007 20 0 EGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363782285 457444728 /nfs/dbraw/zinc/44/47/28/457444728.db2.gz KNAINJMJLLBLPD-ZQIUZPCESA-N 2 2 336.863 3.007 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000360939111 457447930 /nfs/dbraw/zinc/44/79/30/457447930.db2.gz XEPPUCQHVYNEFN-SFHVURJKSA-N 2 2 326.444 3.302 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000360939111 457447934 /nfs/dbraw/zinc/44/79/34/457447934.db2.gz XEPPUCQHVYNEFN-SFHVURJKSA-N 2 2 326.444 3.302 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352539711 457450512 /nfs/dbraw/zinc/45/05/12/457450512.db2.gz CAMYLQOPAHQMFU-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352539711 457450520 /nfs/dbraw/zinc/45/05/20/457450520.db2.gz CAMYLQOPAHQMFU-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000347504393 457472679 /nfs/dbraw/zinc/47/26/79/457472679.db2.gz UVCIGLXOEKEVHY-UHFFFAOYSA-N 2 2 330.476 3.161 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000397302126 457485879 /nfs/dbraw/zinc/48/58/79/457485879.db2.gz FFPNMPVUTGRUKL-DYEKYZERSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000397302126 457485881 /nfs/dbraw/zinc/48/58/81/457485881.db2.gz FFPNMPVUTGRUKL-DYEKYZERSA-N 2 2 334.851 3.195 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCCS2 ZINC000364121394 457488087 /nfs/dbraw/zinc/48/80/87/457488087.db2.gz MUXYGMALEIAMGK-YXJHDRRASA-N 2 2 348.512 3.075 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCCS2 ZINC000364121394 457488096 /nfs/dbraw/zinc/48/80/96/457488096.db2.gz MUXYGMALEIAMGK-YXJHDRRASA-N 2 2 348.512 3.075 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005821 457493459 /nfs/dbraw/zinc/49/34/59/457493459.db2.gz QHPANQRXEAPWLR-TZMCWYRMSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005821 457493469 /nfs/dbraw/zinc/49/34/69/457493469.db2.gz QHPANQRXEAPWLR-TZMCWYRMSA-N 2 2 331.851 3.035 20 0 EGADLP CC(C)[NH+](CCN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000356164715 457498287 /nfs/dbraw/zinc/49/82/87/457498287.db2.gz KSFBXVWWJHTGGS-UHFFFAOYSA-N 2 2 328.460 3.063 20 0 EGADLP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337494 457503874 /nfs/dbraw/zinc/50/38/74/457503874.db2.gz NRBQUOKEXIHSHT-IAGOWNOFSA-N 2 2 334.508 3.046 20 0 EGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337494 457503881 /nfs/dbraw/zinc/50/38/81/457503881.db2.gz NRBQUOKEXIHSHT-IAGOWNOFSA-N 2 2 334.508 3.046 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000399197069 457506672 /nfs/dbraw/zinc/50/66/72/457506672.db2.gz JPUOLLBTYSVABU-HOCLYGCPSA-N 2 2 331.485 3.294 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000399197069 457506675 /nfs/dbraw/zinc/50/66/75/457506675.db2.gz JPUOLLBTYSVABU-HOCLYGCPSA-N 2 2 331.485 3.294 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1)CC(C)C ZINC000425388159 457530690 /nfs/dbraw/zinc/53/06/90/457530690.db2.gz WBRJASWEMVBCAE-UHFFFAOYSA-N 3 2 349.567 3.066 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1)CC(C)C ZINC000425388159 457530696 /nfs/dbraw/zinc/53/06/96/457530696.db2.gz WBRJASWEMVBCAE-UHFFFAOYSA-N 3 2 349.567 3.066 20 0 EGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389139 457533614 /nfs/dbraw/zinc/53/36/14/457533614.db2.gz XEXFQXLXDQNANN-MAUKXSAKSA-N 2 2 342.487 3.468 20 0 EGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389139 457533624 /nfs/dbraw/zinc/53/36/24/457533624.db2.gz XEXFQXLXDQNANN-MAUKXSAKSA-N 2 2 342.487 3.468 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000347601913 457541545 /nfs/dbraw/zinc/54/15/45/457541545.db2.gz BJOWKUJKBUMIGE-OAQYLSRUSA-N 2 2 341.499 3.369 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712022 457550195 /nfs/dbraw/zinc/55/01/95/457550195.db2.gz BRRNRENGDWWDTB-WIYYLYMNSA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712022 457550197 /nfs/dbraw/zinc/55/01/97/457550197.db2.gz BRRNRENGDWWDTB-WIYYLYMNSA-N 2 2 341.499 3.086 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)oc1C ZINC000361059577 457552875 /nfs/dbraw/zinc/55/28/75/457552875.db2.gz GXJUFLRWPDSCMX-UHFFFAOYSA-N 2 2 345.443 3.264 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000406061910 457555065 /nfs/dbraw/zinc/55/50/65/457555065.db2.gz JSQKBHXIEFYXQS-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000406061910 457555073 /nfs/dbraw/zinc/55/50/73/457555073.db2.gz JSQKBHXIEFYXQS-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1C ZINC000361062479 457555691 /nfs/dbraw/zinc/55/56/91/457555691.db2.gz MDOKWLFQOBSGIS-UHFFFAOYSA-N 2 2 345.443 3.264 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000364360797 457577653 /nfs/dbraw/zinc/57/76/53/457577653.db2.gz JARPYNQSHXDTMI-INIZCTEOSA-N 2 2 326.843 3.073 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(F)cc1Cl)CC2 ZINC000364360797 457577658 /nfs/dbraw/zinc/57/76/58/457577658.db2.gz JARPYNQSHXDTMI-INIZCTEOSA-N 2 2 326.843 3.073 20 0 EGADLP COc1ccc(F)cc1C[N@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000361120673 457595255 /nfs/dbraw/zinc/59/52/55/457595255.db2.gz CGCVBWCABXIYON-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[N@@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000361120673 457595261 /nfs/dbraw/zinc/59/52/61/457595261.db2.gz CGCVBWCABXIYON-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000361120673 457595265 /nfs/dbraw/zinc/59/52/65/457595265.db2.gz CGCVBWCABXIYON-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000361120673 457595269 /nfs/dbraw/zinc/59/52/69/457595269.db2.gz CGCVBWCABXIYON-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1c(F)cccc1Cl ZINC000374420954 457622412 /nfs/dbraw/zinc/62/24/12/457622412.db2.gz MUABGPRHOFXBJF-FSPWUOQZSA-N 2 2 340.870 3.205 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1c(F)cccc1Cl ZINC000374420954 457622415 /nfs/dbraw/zinc/62/24/15/457622415.db2.gz MUABGPRHOFXBJF-FSPWUOQZSA-N 2 2 340.870 3.205 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000361305668 457686920 /nfs/dbraw/zinc/68/69/20/457686920.db2.gz OANBHJSIUJTROW-LZLYRXPVSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000361305668 457686922 /nfs/dbraw/zinc/68/69/22/457686922.db2.gz OANBHJSIUJTROW-LZLYRXPVSA-N 2 2 338.879 3.032 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000357791198 457690963 /nfs/dbraw/zinc/69/09/63/457690963.db2.gz LBUAFFCUWJAIJH-IAGOWNOFSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000357791198 457690965 /nfs/dbraw/zinc/69/09/65/457690965.db2.gz LBUAFFCUWJAIJH-IAGOWNOFSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[NH+]3[C@@H](C)CCC[C@@H]3C)CC2)n1 ZINC000361355874 457704801 /nfs/dbraw/zinc/70/48/01/457704801.db2.gz OBDKHBHKIHVTGD-HOTGVXAUSA-N 2 2 336.549 3.273 20 0 EGADLP C[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCC[NH+](Cc2ccc(F)cn2)CC1 ZINC000364896224 457714108 /nfs/dbraw/zinc/71/41/08/457714108.db2.gz PAEXUFKUKHTKKS-LJQANCHMSA-N 2 2 346.425 3.241 20 0 EGADLP C[NH+](Cc1ccc(F)cn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC000364896224 457714109 /nfs/dbraw/zinc/71/41/09/457714109.db2.gz PAEXUFKUKHTKKS-LJQANCHMSA-N 2 2 346.425 3.241 20 0 EGADLP C[NH+](Cc1ccc(F)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000364896224 457714111 /nfs/dbraw/zinc/71/41/11/457714111.db2.gz PAEXUFKUKHTKKS-LJQANCHMSA-N 2 2 346.425 3.241 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357861374 457715363 /nfs/dbraw/zinc/71/53/63/457715363.db2.gz XGHZWSRHFJWDOO-UYAOXDASSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357861374 457715369 /nfs/dbraw/zinc/71/53/69/457715369.db2.gz XGHZWSRHFJWDOO-UYAOXDASSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839007 457726855 /nfs/dbraw/zinc/72/68/55/457726855.db2.gz OQDRCUYGQFSUDK-FXAWDEMLSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839007 457726857 /nfs/dbraw/zinc/72/68/57/457726857.db2.gz OQDRCUYGQFSUDK-FXAWDEMLSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1cccc(C)c1OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358022254 457742910 /nfs/dbraw/zinc/74/29/10/457742910.db2.gz NYPPFZVQADVREM-UHFFFAOYSA-N 2 2 339.483 3.331 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000433073990 457750444 /nfs/dbraw/zinc/75/04/44/457750444.db2.gz HJSPLWIMTOHNTG-CQSZACIVSA-N 2 2 335.411 3.077 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNc1[nH+]c2cccc(F)c2n1C ZINC000443406937 457760670 /nfs/dbraw/zinc/76/06/70/457760670.db2.gz GNXIOORXIUNHTA-UHFFFAOYSA-N 2 2 337.402 3.295 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649180 457767506 /nfs/dbraw/zinc/76/75/06/457767506.db2.gz MPXWIBNAZJYXSL-WBMJQRKESA-N 2 2 337.826 3.126 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649180 457767508 /nfs/dbraw/zinc/76/75/08/457767508.db2.gz MPXWIBNAZJYXSL-WBMJQRKESA-N 2 2 337.826 3.126 20 0 EGADLP C[C@H](CNc1[nH+]c2cccc(F)c2n1C)[N@@H+]1CCc2sccc2C1 ZINC000443509748 457772469 /nfs/dbraw/zinc/77/24/69/457772469.db2.gz OAPVELLFIXVQHD-GFCCVEGCSA-N 2 2 344.459 3.055 20 0 EGADLP C[C@H](CNc1[nH+]c2cccc(F)c2n1C)[N@H+]1CCc2sccc2C1 ZINC000443509748 457772475 /nfs/dbraw/zinc/77/24/75/457772475.db2.gz OAPVELLFIXVQHD-GFCCVEGCSA-N 2 2 344.459 3.055 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000358079993 457772881 /nfs/dbraw/zinc/77/28/81/457772881.db2.gz FDDJVDROZKPTNW-WSTZPKSXSA-N 3 2 326.488 3.162 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000358079993 457772886 /nfs/dbraw/zinc/77/28/86/457772886.db2.gz FDDJVDROZKPTNW-WSTZPKSXSA-N 3 2 326.488 3.162 20 0 EGADLP Cc1ccc2c(c1C)OC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358132803 457805475 /nfs/dbraw/zinc/80/54/75/457805475.db2.gz OWEPDRROMLBPIF-HXUWFJFHSA-N 2 2 337.467 3.386 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000411118446 457806268 /nfs/dbraw/zinc/80/62/68/457806268.db2.gz XBDDPVHXGYWJOX-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000411118446 457806272 /nfs/dbraw/zinc/80/62/72/457806272.db2.gz XBDDPVHXGYWJOX-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1O ZINC000426401764 457823318 /nfs/dbraw/zinc/82/33/18/457823318.db2.gz ATLYOQIVCBLPIL-KRWDZBQOSA-N 2 2 342.483 3.444 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1O ZINC000426401764 457823326 /nfs/dbraw/zinc/82/33/26/457823326.db2.gz ATLYOQIVCBLPIL-KRWDZBQOSA-N 2 2 342.483 3.444 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762056 457842305 /nfs/dbraw/zinc/84/23/05/457842305.db2.gz BNSVYGXRVISINW-VYDXJSESSA-N 2 2 327.476 3.017 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762056 457842311 /nfs/dbraw/zinc/84/23/11/457842311.db2.gz BNSVYGXRVISINW-VYDXJSESSA-N 2 2 327.476 3.017 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(F)cccc1Cl ZINC000371294769 457853297 /nfs/dbraw/zinc/85/32/97/457853297.db2.gz MZGRKUHVHICLAJ-JLZZUVOBSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(F)cccc1Cl ZINC000371294769 457853301 /nfs/dbraw/zinc/85/33/01/457853301.db2.gz MZGRKUHVHICLAJ-JLZZUVOBSA-N 2 2 326.843 3.163 20 0 EGADLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295689 457853546 /nfs/dbraw/zinc/85/35/46/457853546.db2.gz QZQTXKMQUKLYKR-SEPYTNNBSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295689 457853553 /nfs/dbraw/zinc/85/35/53/457853553.db2.gz QZQTXKMQUKLYKR-SEPYTNNBSA-N 2 2 334.529 3.014 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300339 457855027 /nfs/dbraw/zinc/85/50/27/457855027.db2.gz OKXQFQHIIQWUJE-XYJFISCASA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300339 457855032 /nfs/dbraw/zinc/85/50/32/457855032.db2.gz OKXQFQHIIQWUJE-XYJFISCASA-N 2 2 338.879 3.032 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000371331475 457872377 /nfs/dbraw/zinc/87/23/77/457872377.db2.gz IEFDZSUUKLWVOZ-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000371331475 457872385 /nfs/dbraw/zinc/87/23/85/457872385.db2.gz IEFDZSUUKLWVOZ-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP c1cnn(-c2ccccc2C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000358228391 457872477 /nfs/dbraw/zinc/87/24/77/457872477.db2.gz PACJMPGUGAACLV-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1Cl ZINC000375344233 457889537 /nfs/dbraw/zinc/88/95/37/457889537.db2.gz CBXRXUFABBFJCJ-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)ccc1Cl ZINC000375344233 457889542 /nfs/dbraw/zinc/88/95/42/457889542.db2.gz CBXRXUFABBFJCJ-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257971 457892455 /nfs/dbraw/zinc/89/24/55/457892455.db2.gz VFPKITWITAIKBX-WMZOPIPTSA-N 2 2 340.895 3.092 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257971 457892458 /nfs/dbraw/zinc/89/24/58/457892458.db2.gz VFPKITWITAIKBX-WMZOPIPTSA-N 2 2 340.895 3.092 20 0 EGADLP Cc1ccc2c(c1)CC[N@H+](C[C@@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)C2 ZINC000361844132 457902637 /nfs/dbraw/zinc/90/26/37/457902637.db2.gz SSTCXYGWCSWSBQ-HXUWFJFHSA-N 2 2 349.478 3.381 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(N)c2ccccc2n1 ZINC000411550323 457916798 /nfs/dbraw/zinc/91/67/98/457916798.db2.gz KGRQEFAVTFIJAP-DOTOQJQBSA-N 2 2 341.503 3.033 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579618 457923484 /nfs/dbraw/zinc/92/34/84/457923484.db2.gz DWHYSJBAMFDFLV-YTQUADARSA-N 2 2 348.535 3.083 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579618 457923491 /nfs/dbraw/zinc/92/34/91/457923491.db2.gz DWHYSJBAMFDFLV-YTQUADARSA-N 2 2 348.535 3.083 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579618 457923495 /nfs/dbraw/zinc/92/34/95/457923495.db2.gz DWHYSJBAMFDFLV-YTQUADARSA-N 2 2 348.535 3.083 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579618 457923501 /nfs/dbraw/zinc/92/35/01/457923501.db2.gz DWHYSJBAMFDFLV-YTQUADARSA-N 2 2 348.535 3.083 20 0 EGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000433999645 457929291 /nfs/dbraw/zinc/92/92/91/457929291.db2.gz QSDLMYLQRAJIPP-YLJYHZDGSA-N 2 2 343.471 3.465 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[S@@]1=O ZINC000411617799 457930091 /nfs/dbraw/zinc/93/00/91/457930091.db2.gz HLTWQUOWQHXOJV-GPVSGQMNSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[S@@]1=O ZINC000411617799 457930097 /nfs/dbraw/zinc/93/00/97/457930097.db2.gz HLTWQUOWQHXOJV-GPVSGQMNSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890249 457933281 /nfs/dbraw/zinc/93/32/81/457933281.db2.gz DRRGARURXHWQBI-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427125047 457946882 /nfs/dbraw/zinc/94/68/82/457946882.db2.gz YWAPUGZVMMHCCK-MSOLQXFVSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427125047 457946892 /nfs/dbraw/zinc/94/68/92/457946892.db2.gz YWAPUGZVMMHCCK-MSOLQXFVSA-N 2 2 332.488 3.448 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427130794 457947449 /nfs/dbraw/zinc/94/74/49/457947449.db2.gz LWOPPKPSYNXREU-QFBILLFUSA-N 2 2 338.499 3.354 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427130794 457947455 /nfs/dbraw/zinc/94/74/55/457947455.db2.gz LWOPPKPSYNXREU-QFBILLFUSA-N 2 2 338.499 3.354 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000411720864 457962845 /nfs/dbraw/zinc/96/28/45/457962845.db2.gz QWXIPTNUABJUTB-NHCUHLMSSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000411720864 457962853 /nfs/dbraw/zinc/96/28/53/457962853.db2.gz QWXIPTNUABJUTB-NHCUHLMSSA-N 2 2 344.499 3.052 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000445238621 458030276 /nfs/dbraw/zinc/03/02/76/458030276.db2.gz PXTBXLAILPTQTO-MSOLQXFVSA-N 2 2 328.500 3.281 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000445238621 458030279 /nfs/dbraw/zinc/03/02/79/458030279.db2.gz PXTBXLAILPTQTO-MSOLQXFVSA-N 2 2 328.500 3.281 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434671439 458033999 /nfs/dbraw/zinc/03/39/99/458033999.db2.gz IBZYSWRMYGATQC-UHFFFAOYSA-N 3 2 341.503 3.384 20 0 EGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000434788420 458050594 /nfs/dbraw/zinc/05/05/94/458050594.db2.gz YQKGPISQRYWNAC-MJGOQNOKSA-N 3 2 330.520 3.008 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434797088 458053857 /nfs/dbraw/zinc/05/38/57/458053857.db2.gz WQVGTQRPLMOHRC-HTWSVDAQSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434797088 458053862 /nfs/dbraw/zinc/05/38/62/458053862.db2.gz WQVGTQRPLMOHRC-HTWSVDAQSA-N 2 2 336.520 3.493 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037651 458069932 /nfs/dbraw/zinc/06/99/32/458069932.db2.gz KQDHIJCSQXDHMW-XLIONFOSSA-N 2 2 341.499 3.036 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037651 458069940 /nfs/dbraw/zinc/06/99/40/458069940.db2.gz KQDHIJCSQXDHMW-XLIONFOSSA-N 2 2 341.499 3.036 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000375817543 458080095 /nfs/dbraw/zinc/08/00/95/458080095.db2.gz ULIIUDNQOCPKFB-UHFFFAOYSA-N 2 2 343.515 3.133 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000375817543 458080101 /nfs/dbraw/zinc/08/01/01/458080101.db2.gz ULIIUDNQOCPKFB-UHFFFAOYSA-N 2 2 343.515 3.133 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000375838446 458089419 /nfs/dbraw/zinc/08/94/19/458089419.db2.gz JFDWIIJVAPYRKU-QWHCGFSZSA-N 2 2 333.457 3.268 20 0 EGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@]1(C)CCCO1 ZINC000428234077 458103075 /nfs/dbraw/zinc/10/30/75/458103075.db2.gz XJQGKPJASIBYQJ-NLWGTHIKSA-N 2 2 346.515 3.434 20 0 EGADLP COc1ccsc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387717 458132869 /nfs/dbraw/zinc/13/28/69/458132869.db2.gz BFJBDYRKNGNGAV-INIZCTEOSA-N 2 2 331.485 3.296 20 0 EGADLP COc1ccsc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435387717 458132872 /nfs/dbraw/zinc/13/28/72/458132872.db2.gz BFJBDYRKNGNGAV-INIZCTEOSA-N 2 2 331.485 3.296 20 0 EGADLP CCc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431555 458144753 /nfs/dbraw/zinc/14/47/53/458144753.db2.gz JFRHKTROMKJQDB-IBGZPJMESA-N 2 2 338.499 3.127 20 0 EGADLP CCc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431555 458144758 /nfs/dbraw/zinc/14/47/58/458144758.db2.gz JFRHKTROMKJQDB-IBGZPJMESA-N 2 2 338.499 3.127 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000362433069 458173211 /nfs/dbraw/zinc/17/32/11/458173211.db2.gz CIRBXRINWHFJCK-QGZVFWFLSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000362433069 458173213 /nfs/dbraw/zinc/17/32/13/458173213.db2.gz CIRBXRINWHFJCK-QGZVFWFLSA-N 2 2 325.456 3.187 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376040888 458173506 /nfs/dbraw/zinc/17/35/06/458173506.db2.gz CLAPLZRBMFTQTN-QGZVFWFLSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376040888 458173510 /nfs/dbraw/zinc/17/35/10/458173510.db2.gz CLAPLZRBMFTQTN-QGZVFWFLSA-N 2 2 335.455 3.294 20 0 EGADLP CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335814 458178119 /nfs/dbraw/zinc/17/81/19/458178119.db2.gz UBUUQWZEEIOVPO-MOPGFXCFSA-N 2 2 349.563 3.268 20 0 EGADLP CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335814 458178125 /nfs/dbraw/zinc/17/81/25/458178125.db2.gz UBUUQWZEEIOVPO-MOPGFXCFSA-N 2 2 349.563 3.268 20 0 EGADLP CN(C(=O)CCCCC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376087876 458190707 /nfs/dbraw/zinc/19/07/07/458190707.db2.gz GIDNMBOLSYNOJX-GOSISDBHSA-N 2 2 337.552 3.220 20 0 EGADLP CN(C(=O)CCCCC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376087876 458190712 /nfs/dbraw/zinc/19/07/12/458190712.db2.gz GIDNMBOLSYNOJX-GOSISDBHSA-N 2 2 337.552 3.220 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000429003888 458251056 /nfs/dbraw/zinc/25/10/56/458251056.db2.gz YYHWGTIVGBUCCH-AWEZNQCLSA-N 2 2 336.842 3.276 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000429003888 458251062 /nfs/dbraw/zinc/25/10/62/458251062.db2.gz YYHWGTIVGBUCCH-AWEZNQCLSA-N 2 2 336.842 3.276 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000436414894 458302607 /nfs/dbraw/zinc/30/26/07/458302607.db2.gz RRVZQGMFLBIMJQ-KPZWWZAWSA-N 2 2 328.391 3.050 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000447539676 458308333 /nfs/dbraw/zinc/30/83/33/458308333.db2.gz ATTPQWQOBPXOMA-BQJUDKOJSA-N 2 2 342.527 3.472 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000447539676 458308338 /nfs/dbraw/zinc/30/83/38/458308338.db2.gz ATTPQWQOBPXOMA-BQJUDKOJSA-N 2 2 342.527 3.472 20 0 EGADLP COC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H]1C(C)C ZINC000429362576 458321971 /nfs/dbraw/zinc/32/19/71/458321971.db2.gz MUGPUZCGRCODCJ-OALUTQOASA-N 2 2 341.455 3.200 20 0 EGADLP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)[C@H]1C(C)C ZINC000429362576 458321976 /nfs/dbraw/zinc/32/19/76/458321976.db2.gz MUGPUZCGRCODCJ-OALUTQOASA-N 2 2 341.455 3.200 20 0 EGADLP Clc1cnn(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000459463667 458379635 /nfs/dbraw/zinc/37/96/35/458379635.db2.gz MUNBKVRBPOEXHL-LJQANCHMSA-N 2 2 344.890 3.135 20 0 EGADLP Clc1cnn(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000459463667 458379641 /nfs/dbraw/zinc/37/96/41/458379641.db2.gz MUNBKVRBPOEXHL-LJQANCHMSA-N 2 2 344.890 3.135 20 0 EGADLP Clc1cnn(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000459463667 458379644 /nfs/dbraw/zinc/37/96/44/458379644.db2.gz MUNBKVRBPOEXHL-LJQANCHMSA-N 2 2 344.890 3.135 20 0 EGADLP Clc1cnn(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000459463667 458379649 /nfs/dbraw/zinc/37/96/49/458379649.db2.gz MUNBKVRBPOEXHL-LJQANCHMSA-N 2 2 344.890 3.135 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021995 458379982 /nfs/dbraw/zinc/37/99/82/458379982.db2.gz LXEQOZZERPELNX-QAPCUYQASA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021995 458379986 /nfs/dbraw/zinc/37/99/86/458379986.db2.gz LXEQOZZERPELNX-QAPCUYQASA-N 2 2 347.503 3.122 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]CCc2cccc(Cl)c2)[N@H+](Cc2ccccc2)C1 ZINC000459465857 458381742 /nfs/dbraw/zinc/38/17/42/458381742.db2.gz YBCHLXYYCJWPOC-UXHICEINSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]CCc2cccc(Cl)c2)[N@@H+](Cc2ccccc2)C1 ZINC000459465857 458381747 /nfs/dbraw/zinc/38/17/47/458381747.db2.gz YBCHLXYYCJWPOC-UXHICEINSA-N 2 2 344.886 3.108 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(OC)cc1Br)C(C)C ZINC000423480633 458440130 /nfs/dbraw/zinc/44/01/30/458440130.db2.gz WHJKUWIUSBGFPH-ABAIWWIYSA-N 2 2 329.282 3.482 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423497110 458443406 /nfs/dbraw/zinc/44/34/06/458443406.db2.gz GBPJGNKHYYZWDM-YWZLYKJASA-N 2 2 339.483 3.301 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423507261 458446318 /nfs/dbraw/zinc/44/63/18/458446318.db2.gz IFOYYQBKELYXJQ-BULFRSBZSA-N 2 2 346.478 3.338 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423541361 458454577 /nfs/dbraw/zinc/45/45/77/458454577.db2.gz KQWQNMBTZRELFJ-KVSKMBFKSA-N 3 2 347.934 3.282 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000377077701 458456065 /nfs/dbraw/zinc/45/60/65/458456065.db2.gz LTVRFYNLKNWKNC-GFCCVEGCSA-N 2 2 343.358 3.242 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1Cl ZINC000423577416 458457760 /nfs/dbraw/zinc/45/77/60/458457760.db2.gz SDXONDPQLZMMRS-BXUZGUMPSA-N 2 2 347.684 3.132 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555413 458461055 /nfs/dbraw/zinc/46/10/55/458461055.db2.gz XCVPICMJXKEACB-SJLPKXTDSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555413 458461056 /nfs/dbraw/zinc/46/10/56/458461056.db2.gz XCVPICMJXKEACB-SJLPKXTDSA-N 2 2 337.467 3.351 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)C[NH3+] ZINC000430565229 458462757 /nfs/dbraw/zinc/46/27/57/458462757.db2.gz PATDRPMWJCZHQH-UHFFFAOYSA-N 2 2 325.456 3.209 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)C[NH3+] ZINC000430565229 458462759 /nfs/dbraw/zinc/46/27/59/458462759.db2.gz PATDRPMWJCZHQH-UHFFFAOYSA-N 2 2 325.456 3.209 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C(C)C)cc1 ZINC000430570330 458463651 /nfs/dbraw/zinc/46/36/51/458463651.db2.gz NBSJRTXXOWKODJ-SFTDATJTSA-N 2 2 345.531 3.340 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C(C)C)cc1 ZINC000430570324 458464109 /nfs/dbraw/zinc/46/41/09/458464109.db2.gz NBSJRTXXOWKODJ-LEWJYISDSA-N 2 2 345.531 3.340 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579245 458465016 /nfs/dbraw/zinc/46/50/16/458465016.db2.gz YIKHLDBNNUCUTL-SMDDNHRTSA-N 2 2 329.847 3.111 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579245 458465020 /nfs/dbraw/zinc/46/50/20/458465020.db2.gz YIKHLDBNNUCUTL-SMDDNHRTSA-N 2 2 329.847 3.111 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc(Cl)c1OC ZINC000377110066 458465129 /nfs/dbraw/zinc/46/51/29/458465129.db2.gz AXLJNAWREKSMKT-UHFFFAOYSA-N 2 2 335.835 3.180 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586027 458466759 /nfs/dbraw/zinc/46/67/59/458466759.db2.gz XTVGFDCQAMDRFZ-QZTJIDSGSA-N 2 2 343.515 3.412 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586027 458466762 /nfs/dbraw/zinc/46/67/62/458466762.db2.gz XTVGFDCQAMDRFZ-QZTJIDSGSA-N 2 2 343.515 3.412 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000430588706 458467980 /nfs/dbraw/zinc/46/79/80/458467980.db2.gz AGZSBEULIBGBCE-CQSZACIVSA-N 2 2 349.784 3.014 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccn(C)n1 ZINC000459758022 458470737 /nfs/dbraw/zinc/47/07/37/458470737.db2.gz QEFDOZKLZNQYSC-CQSZACIVSA-N 2 2 332.879 3.389 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000373401605 458483236 /nfs/dbraw/zinc/48/32/36/458483236.db2.gz ZRSNKBMCARJFSE-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000373401605 458483241 /nfs/dbraw/zinc/48/32/41/458483241.db2.gz ZRSNKBMCARJFSE-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430927123 458506391 /nfs/dbraw/zinc/50/63/91/458506391.db2.gz POROIMHQFVBBST-HNNXBMFYSA-N 2 2 345.874 3.355 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430927123 458506396 /nfs/dbraw/zinc/50/63/96/458506396.db2.gz POROIMHQFVBBST-HNNXBMFYSA-N 2 2 345.874 3.355 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000430932234 458507718 /nfs/dbraw/zinc/50/77/18/458507718.db2.gz YRBGBSSQAUTFNR-ULMVMLMRSA-N 2 2 339.483 3.075 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000430932234 458507721 /nfs/dbraw/zinc/50/77/21/458507721.db2.gz YRBGBSSQAUTFNR-ULMVMLMRSA-N 2 2 339.483 3.075 20 0 EGADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000430954879 458510259 /nfs/dbraw/zinc/51/02/59/458510259.db2.gz XUZKQQDKLNWMJM-HNNXBMFYSA-N 2 2 341.480 3.057 20 0 EGADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000430954879 458510260 /nfs/dbraw/zinc/51/02/60/458510260.db2.gz XUZKQQDKLNWMJM-HNNXBMFYSA-N 2 2 341.480 3.057 20 0 EGADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1c(Cl)cccc1Cl ZINC000431034265 458519642 /nfs/dbraw/zinc/51/96/42/458519642.db2.gz VACQCAARYYRPAT-UHFFFAOYSA-N 2 2 342.270 3.007 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000431094851 458529210 /nfs/dbraw/zinc/52/92/10/458529210.db2.gz SERQXGHPTBXHSV-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000431094851 458529214 /nfs/dbraw/zinc/52/92/14/458529214.db2.gz SERQXGHPTBXHSV-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000438102131 458532518 /nfs/dbraw/zinc/53/25/18/458532518.db2.gz CZIBPJJSTKYHOM-XJKSGUPXSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000438102131 458532523 /nfs/dbraw/zinc/53/25/23/458532523.db2.gz CZIBPJJSTKYHOM-XJKSGUPXSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C[NH3+] ZINC000424054482 458546720 /nfs/dbraw/zinc/54/67/20/458546720.db2.gz ARQSXRGNHGBVGH-INMHGKMJSA-N 2 2 339.439 3.319 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469022076 458549595 /nfs/dbraw/zinc/54/95/95/458549595.db2.gz NKINBPSVUZEQBY-XLIONFOSSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469022076 458549602 /nfs/dbraw/zinc/54/96/02/458549602.db2.gz NKINBPSVUZEQBY-XLIONFOSSA-N 2 2 340.515 3.334 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCSC1 ZINC000431338606 458559587 /nfs/dbraw/zinc/55/95/87/458559587.db2.gz OXUFAYOITAHHLT-ICSRJNTNSA-N 2 2 346.540 3.416 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000377887319 458564841 /nfs/dbraw/zinc/56/48/41/458564841.db2.gz DZOMFMRWTMEFEU-CYBMUJFWSA-N 2 2 347.484 3.149 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000377887319 458564843 /nfs/dbraw/zinc/56/48/43/458564843.db2.gz DZOMFMRWTMEFEU-CYBMUJFWSA-N 2 2 347.484 3.149 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000424140829 458569260 /nfs/dbraw/zinc/56/92/60/458569260.db2.gz FPTLPGPQPKWUEI-MOPGFXCFSA-N 2 2 338.442 3.131 20 0 EGADLP CC[NH+](CC)CCOC1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431437133 458573705 /nfs/dbraw/zinc/57/37/05/458573705.db2.gz YURLRPROYCSSKV-UHFFFAOYSA-N 2 2 348.466 3.040 20 0 EGADLP F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000424185931 458580087 /nfs/dbraw/zinc/58/00/87/458580087.db2.gz RIBAXDRDSYVRTH-WOJBJXKFSA-N 2 2 325.431 3.273 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1OC ZINC000502289941 458643652 /nfs/dbraw/zinc/64/36/52/458643652.db2.gz YBMSQXDJXFUUBE-RYRKJORJSA-N 2 2 334.504 3.262 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1OC ZINC000502289941 458643658 /nfs/dbraw/zinc/64/36/58/458643658.db2.gz YBMSQXDJXFUUBE-RYRKJORJSA-N 2 2 334.504 3.262 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000502282391 458644020 /nfs/dbraw/zinc/64/40/20/458644020.db2.gz ZEDDKSRVRXSTTK-IRXDYDNUSA-N 2 2 334.504 3.407 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000502282391 458644025 /nfs/dbraw/zinc/64/40/25/458644025.db2.gz ZEDDKSRVRXSTTK-IRXDYDNUSA-N 2 2 334.504 3.407 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2CCC(C(C)C)CC2)CC1 ZINC000546622970 458645299 /nfs/dbraw/zinc/64/52/99/458645299.db2.gz PSVZAETTYXIUIS-UHFFFAOYSA-N 2 2 338.536 3.456 20 0 EGADLP Fc1ccc(-c2nc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000494432595 458675046 /nfs/dbraw/zinc/67/50/46/458675046.db2.gz HSMPEHAAMOLQEH-AWEZNQCLSA-N 2 2 328.416 3.250 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cncc(F)c2)CCOCC1)c1ccccc1 ZINC000494555314 458698706 /nfs/dbraw/zinc/69/87/06/458698706.db2.gz AEGAASVWGIJQIK-MRXNPFEDSA-N 2 2 343.446 3.210 20 0 EGADLP CCCCOc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432345702 458721005 /nfs/dbraw/zinc/72/10/05/458721005.db2.gz ISFRDTOHQSUABA-SFHVURJKSA-N 2 2 334.504 3.456 20 0 EGADLP CCCCOc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432345702 458721009 /nfs/dbraw/zinc/72/10/09/458721009.db2.gz ISFRDTOHQSUABA-SFHVURJKSA-N 2 2 334.504 3.456 20 0 EGADLP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837650 458740230 /nfs/dbraw/zinc/74/02/30/458740230.db2.gz KJGRCKIHZRCIBU-ZWKOTPCHSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)no1 ZINC000471837650 458740237 /nfs/dbraw/zinc/74/02/37/458740237.db2.gz KJGRCKIHZRCIBU-ZWKOTPCHSA-N 2 2 342.487 3.194 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000471834596 458740901 /nfs/dbraw/zinc/74/09/01/458740901.db2.gz SOSHVEJUBDAANK-QZTJIDSGSA-N 2 2 340.471 3.119 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000471834596 458740906 /nfs/dbraw/zinc/74/09/06/458740906.db2.gz SOSHVEJUBDAANK-QZTJIDSGSA-N 2 2 340.471 3.119 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472452300 458796850 /nfs/dbraw/zinc/79/68/50/458796850.db2.gz XJWIBYRGQUFWDX-SJLPKXTDSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472452300 458796856 /nfs/dbraw/zinc/79/68/56/458796856.db2.gz XJWIBYRGQUFWDX-SJLPKXTDSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472452300 458796858 /nfs/dbraw/zinc/79/68/58/458796858.db2.gz XJWIBYRGQUFWDX-SJLPKXTDSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452300 458796863 /nfs/dbraw/zinc/79/68/63/458796863.db2.gz XJWIBYRGQUFWDX-SJLPKXTDSA-N 2 2 343.515 3.240 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000457080912 458859047 /nfs/dbraw/zinc/85/90/47/458859047.db2.gz CQPVCZARQDJNSR-MRXNPFEDSA-N 2 2 339.439 3.429 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000457080912 458859050 /nfs/dbraw/zinc/85/90/50/458859050.db2.gz CQPVCZARQDJNSR-MRXNPFEDSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140703 458877034 /nfs/dbraw/zinc/87/70/34/458877034.db2.gz DWLJQVFHQWIEGD-UKRRQHHQSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140703 458877041 /nfs/dbraw/zinc/87/70/41/458877041.db2.gz DWLJQVFHQWIEGD-UKRRQHHQSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140703 458877047 /nfs/dbraw/zinc/87/70/47/458877047.db2.gz DWLJQVFHQWIEGD-UKRRQHHQSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140703 458877054 /nfs/dbraw/zinc/87/70/54/458877054.db2.gz DWLJQVFHQWIEGD-UKRRQHHQSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000518790865 458893838 /nfs/dbraw/zinc/89/38/38/458893838.db2.gz PPYLSRQEUNVRDV-ROUUACIJSA-N 2 2 332.513 3.243 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000518790865 458893843 /nfs/dbraw/zinc/89/38/43/458893843.db2.gz PPYLSRQEUNVRDV-ROUUACIJSA-N 2 2 332.513 3.243 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270048 458907988 /nfs/dbraw/zinc/90/79/88/458907988.db2.gz NKCYZPNGECBGFD-QLFBSQMISA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270048 458907993 /nfs/dbraw/zinc/90/79/93/458907993.db2.gz NKCYZPNGECBGFD-QLFBSQMISA-N 2 2 347.484 3.087 20 0 EGADLP CN(C)c1cc[nH+]cc1CNCC[NH+]1CCC2(CCCCC2)CC1 ZINC000441366304 458928623 /nfs/dbraw/zinc/92/86/23/458928623.db2.gz NAXBHINBWUGKAV-UHFFFAOYSA-N 2 2 330.520 3.284 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CCC2(CCCCC2)CC1 ZINC000441366304 458928627 /nfs/dbraw/zinc/92/86/27/458928627.db2.gz NAXBHINBWUGKAV-UHFFFAOYSA-N 2 2 330.520 3.284 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466905645 458931962 /nfs/dbraw/zinc/93/19/62/458931962.db2.gz HHLWEIMJONQWHK-VLCRHTCISA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466905645 458931968 /nfs/dbraw/zinc/93/19/68/458931968.db2.gz HHLWEIMJONQWHK-VLCRHTCISA-N 2 2 338.495 3.151 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441387568 458934154 /nfs/dbraw/zinc/93/41/54/458934154.db2.gz YCCDYKITDDBUHW-YQVWRLOYSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441387568 458934160 /nfs/dbraw/zinc/93/41/60/458934160.db2.gz YCCDYKITDDBUHW-YQVWRLOYSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441387568 458934164 /nfs/dbraw/zinc/93/41/64/458934164.db2.gz YCCDYKITDDBUHW-YQVWRLOYSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441387568 458934170 /nfs/dbraw/zinc/93/41/70/458934170.db2.gz YCCDYKITDDBUHW-YQVWRLOYSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000475635535 458956676 /nfs/dbraw/zinc/95/66/76/458956676.db2.gz BMQKPYGQOLEMIE-DZGCQCFKSA-N 2 2 342.405 3.385 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000475635535 458956679 /nfs/dbraw/zinc/95/66/79/458956679.db2.gz BMQKPYGQOLEMIE-DZGCQCFKSA-N 2 2 342.405 3.385 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000495849905 458976414 /nfs/dbraw/zinc/97/64/14/458976414.db2.gz LUDPQSCYMBXNFS-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000495849905 458976417 /nfs/dbraw/zinc/97/64/17/458976417.db2.gz LUDPQSCYMBXNFS-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000531965100 459007802 /nfs/dbraw/zinc/00/78/02/459007802.db2.gz FAGJTMYSBJKLHU-HKUYNNGSSA-N 2 2 327.472 3.227 20 0 EGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577408090 459028769 /nfs/dbraw/zinc/02/87/69/459028769.db2.gz GMLUNUNBGFBBFC-CYBMUJFWSA-N 2 2 328.441 3.435 20 0 EGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000577408090 459028774 /nfs/dbraw/zinc/02/87/74/459028774.db2.gz GMLUNUNBGFBBFC-CYBMUJFWSA-N 2 2 328.441 3.435 20 0 EGADLP CCc1nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)cc(C)[nH+]1 ZINC000577402296 459029277 /nfs/dbraw/zinc/02/92/77/459029277.db2.gz XLRVLZVNXNIZPB-UHFFFAOYSA-N 2 2 333.439 3.222 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762711 459032612 /nfs/dbraw/zinc/03/26/12/459032612.db2.gz FPBJCCIMIKSVIL-BXEVVDMOSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762711 459032616 /nfs/dbraw/zinc/03/26/16/459032616.db2.gz FPBJCCIMIKSVIL-BXEVVDMOSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000520230534 459042081 /nfs/dbraw/zinc/04/20/81/459042081.db2.gz SREMCSKQWMCAPT-BHIYHBOVSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000520230534 459042084 /nfs/dbraw/zinc/04/20/84/459042084.db2.gz SREMCSKQWMCAPT-BHIYHBOVSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239612 459052238 /nfs/dbraw/zinc/05/22/38/459052238.db2.gz TXFZJTJPXBHUCL-DYVFJYSZSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239612 459052241 /nfs/dbraw/zinc/05/22/41/459052241.db2.gz TXFZJTJPXBHUCL-DYVFJYSZSA-N 2 2 337.305 3.238 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1C ZINC000577628098 459065503 /nfs/dbraw/zinc/06/55/03/459065503.db2.gz QUJZEIDFGFCMPF-UHFFFAOYSA-N 3 2 326.488 3.250 20 0 EGADLP COC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000477939269 459067498 /nfs/dbraw/zinc/06/74/98/459067498.db2.gz FIGNWZHQPCZYMD-KRWDZBQOSA-N 2 2 326.431 3.364 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000594520850 459077577 /nfs/dbraw/zinc/07/75/77/459077577.db2.gz QEBUVDOJPFRMHD-FOIPXRHGSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000594520850 459077585 /nfs/dbraw/zinc/07/75/85/459077585.db2.gz QEBUVDOJPFRMHD-FOIPXRHGSA-N 2 2 336.520 3.493 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443207297 459098681 /nfs/dbraw/zinc/09/86/81/459098681.db2.gz YYFOYVNETIQLEP-ZPQVWODMSA-N 2 2 331.504 3.023 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198123 459104847 /nfs/dbraw/zinc/10/48/47/459104847.db2.gz QWRKTGSYGJRDKG-RHSMWYFYSA-N 2 2 333.476 3.382 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198123 459104855 /nfs/dbraw/zinc/10/48/55/459104855.db2.gz QWRKTGSYGJRDKG-RHSMWYFYSA-N 2 2 333.476 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(F)cc3F)c2cc1C ZINC000557799879 459109396 /nfs/dbraw/zinc/10/93/96/459109396.db2.gz GIACSSXVRRXPJC-MRXNPFEDSA-N 2 2 345.393 3.082 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000521256682 459134982 /nfs/dbraw/zinc/13/49/82/459134982.db2.gz UEHZYQCTRNSBOQ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000521256682 459134988 /nfs/dbraw/zinc/13/49/88/459134988.db2.gz UEHZYQCTRNSBOQ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000521256682 459134993 /nfs/dbraw/zinc/13/49/93/459134993.db2.gz UEHZYQCTRNSBOQ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000521256682 459134999 /nfs/dbraw/zinc/13/49/99/459134999.db2.gz UEHZYQCTRNSBOQ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]C[C@@H]3C[N@H+](CC(C)C)CCO3)cc2c(C)c1 ZINC000479536182 459146406 /nfs/dbraw/zinc/14/64/06/459146406.db2.gz KJLDLKAJDBLGKK-GOSISDBHSA-N 2 2 329.488 3.231 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]C[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2c(C)c1 ZINC000479536182 459146412 /nfs/dbraw/zinc/14/64/12/459146412.db2.gz KJLDLKAJDBLGKK-GOSISDBHSA-N 2 2 329.488 3.231 20 0 EGADLP c1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000567722320 459154438 /nfs/dbraw/zinc/15/44/38/459154438.db2.gz VOTPPEWIVCIRIN-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP c1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000567722320 459154443 /nfs/dbraw/zinc/15/44/43/459154443.db2.gz VOTPPEWIVCIRIN-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000567787514 459167630 /nfs/dbraw/zinc/16/76/30/459167630.db2.gz JNOBINQKPUULMI-CQSZACIVSA-N 2 2 338.521 3.092 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cncnc2C)cc1F ZINC000568293415 459265891 /nfs/dbraw/zinc/26/58/91/459265891.db2.gz OYERFOVEACDVGZ-GFCCVEGCSA-N 2 2 325.391 3.269 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000559635422 459270204 /nfs/dbraw/zinc/27/02/04/459270204.db2.gz HSPDYAISAPMFEN-KRWDZBQOSA-N 2 2 341.459 3.083 20 0 EGADLP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000559635422 459270207 /nfs/dbraw/zinc/27/02/07/459270207.db2.gz HSPDYAISAPMFEN-KRWDZBQOSA-N 2 2 341.459 3.083 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1SC ZINC000590957353 459280958 /nfs/dbraw/zinc/28/09/58/459280958.db2.gz NHWSDIITQPBWOE-SFNKJDCFSA-N 2 2 345.512 3.203 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000559905751 459284127 /nfs/dbraw/zinc/28/41/27/459284127.db2.gz ZMYKMXAKJHARKJ-SFTDATJTSA-N 2 2 340.515 3.408 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000559905751 459284136 /nfs/dbraw/zinc/28/41/36/459284136.db2.gz ZMYKMXAKJHARKJ-SFTDATJTSA-N 2 2 340.515 3.408 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc2ccccc21 ZINC000591083098 459310704 /nfs/dbraw/zinc/31/07/04/459310704.db2.gz OEUMLIFXFFZEAR-KRWDZBQOSA-N 2 2 334.423 3.312 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc2ccccc21 ZINC000591083098 459310708 /nfs/dbraw/zinc/31/07/08/459310708.db2.gz OEUMLIFXFFZEAR-KRWDZBQOSA-N 2 2 334.423 3.312 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000568590453 459312048 /nfs/dbraw/zinc/31/20/48/459312048.db2.gz XLWYMGHGLWFLAF-UHFFFAOYSA-N 2 2 335.540 3.268 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000568590453 459312052 /nfs/dbraw/zinc/31/20/52/459312052.db2.gz XLWYMGHGLWFLAF-UHFFFAOYSA-N 2 2 335.540 3.268 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514555 459377686 /nfs/dbraw/zinc/37/76/86/459377686.db2.gz QWMZRUJVODXQIZ-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000595505404 459327162 /nfs/dbraw/zinc/32/71/62/459327162.db2.gz SUQNKLWUFDGYGC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000595505404 459327169 /nfs/dbraw/zinc/32/71/69/459327169.db2.gz SUQNKLWUFDGYGC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000595505404 459327176 /nfs/dbraw/zinc/32/71/76/459327176.db2.gz SUQNKLWUFDGYGC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000595505404 459327185 /nfs/dbraw/zinc/32/71/85/459327185.db2.gz SUQNKLWUFDGYGC-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(F)cc1Br ZINC000582514555 459377689 /nfs/dbraw/zinc/37/76/89/459377689.db2.gz QWMZRUJVODXQIZ-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(F)cc1Br ZINC000582514555 459377693 /nfs/dbraw/zinc/37/76/93/459377693.db2.gz QWMZRUJVODXQIZ-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000560528452 459366098 /nfs/dbraw/zinc/36/60/98/459366098.db2.gz GDXDOTOGTVBXQB-PELRDEGISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000560528452 459366103 /nfs/dbraw/zinc/36/61/03/459366103.db2.gz GDXDOTOGTVBXQB-PELRDEGISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1CC[NH+](CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528452 459366109 /nfs/dbraw/zinc/36/61/09/459366109.db2.gz GDXDOTOGTVBXQB-PELRDEGISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1CC[NH+](CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000560528452 459366112 /nfs/dbraw/zinc/36/61/12/459366112.db2.gz GDXDOTOGTVBXQB-PELRDEGISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514555 459377680 /nfs/dbraw/zinc/37/76/80/459377680.db2.gz QWMZRUJVODXQIZ-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591458059 459386340 /nfs/dbraw/zinc/38/63/40/459386340.db2.gz RXZXSHNSRIDAIE-MOPGFXCFSA-N 2 2 340.471 3.130 20 0 EGADLP CC(C)[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)[NH+]1CCCCC1 ZINC000540872649 459395434 /nfs/dbraw/zinc/39/54/34/459395434.db2.gz YZKLPWALQCZISL-SFHVURJKSA-N 2 2 340.471 3.203 20 0 EGADLP Cc1cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C(C)C ZINC000525121674 459417299 /nfs/dbraw/zinc/41/72/99/459417299.db2.gz ZHFJMBDGSDPZKU-LJQANCHMSA-N 2 2 346.515 3.151 20 0 EGADLP Cc1cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C(C)C ZINC000525121674 459417300 /nfs/dbraw/zinc/41/73/00/459417300.db2.gz ZHFJMBDGSDPZKU-LJQANCHMSA-N 2 2 346.515 3.151 20 0 EGADLP CCOC(=O)N1CCC([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000497118470 459447671 /nfs/dbraw/zinc/44/76/71/459447671.db2.gz HWJFREHVGNPVLJ-SFHVURJKSA-N 2 2 333.476 3.020 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867990 459459529 /nfs/dbraw/zinc/45/95/29/459459529.db2.gz VNHMGGXIVGSWRN-UYAOXDASSA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867990 459459531 /nfs/dbraw/zinc/45/95/31/459459531.db2.gz VNHMGGXIVGSWRN-UYAOXDASSA-N 2 2 340.471 3.034 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000591867739 459459648 /nfs/dbraw/zinc/45/96/48/459459648.db2.gz RYJZATMVJVUZKM-QGZVFWFLSA-N 2 2 326.444 3.156 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000591867739 459459652 /nfs/dbraw/zinc/45/96/52/459459652.db2.gz RYJZATMVJVUZKM-QGZVFWFLSA-N 2 2 326.444 3.156 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000497189482 459478833 /nfs/dbraw/zinc/47/88/33/459478833.db2.gz HHFVSGKCSLDWFM-HOTGVXAUSA-N 2 2 327.513 3.001 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000497189482 459478836 /nfs/dbraw/zinc/47/88/36/459478836.db2.gz HHFVSGKCSLDWFM-HOTGVXAUSA-N 2 2 327.513 3.001 20 0 EGADLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735639 459485673 /nfs/dbraw/zinc/48/56/73/459485673.db2.gz ZSGVCMGHGQPUDN-LEWJYISDSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735639 459485678 /nfs/dbraw/zinc/48/56/78/459485678.db2.gz ZSGVCMGHGQPUDN-LEWJYISDSA-N 2 2 339.483 3.149 20 0 EGADLP c1cc(N[C@@H]2CC[C@@H]2C2CC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000562080856 459510108 /nfs/dbraw/zinc/51/01/08/459510108.db2.gz PJHVMRLVKLAMRY-IAGOWNOFSA-N 2 2 340.471 3.038 20 0 EGADLP Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000583392206 459531995 /nfs/dbraw/zinc/53/19/95/459531995.db2.gz YRUCZYZZQWPOEA-MRXNPFEDSA-N 2 2 343.446 3.373 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)CC(C)(C)C3)c2cc1C ZINC000542250094 459538276 /nfs/dbraw/zinc/53/82/76/459538276.db2.gz QDAWDYDEJCRUMK-WMLDXEAASA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)CC(C)(C)C3)c2cc1C ZINC000542250094 459538280 /nfs/dbraw/zinc/53/82/80/459538280.db2.gz QDAWDYDEJCRUMK-WMLDXEAASA-N 2 2 329.488 3.382 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000584166912 459670389 /nfs/dbraw/zinc/67/03/89/459670389.db2.gz PQDWBNCGDBWCNY-GBESFXJTSA-N 2 2 336.414 3.383 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527639408 459680889 /nfs/dbraw/zinc/68/08/89/459680889.db2.gz CJJPRKFRSUSIOB-JTQLQIEISA-N 2 2 333.220 3.159 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527639408 459680896 /nfs/dbraw/zinc/68/08/96/459680896.db2.gz CJJPRKFRSUSIOB-JTQLQIEISA-N 2 2 333.220 3.159 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccncc3Cl)c2)CCO1 ZINC000527644806 459682787 /nfs/dbraw/zinc/68/27/87/459682787.db2.gz IFBWXYIEUYYKGR-OAHLLOKOSA-N 2 2 345.874 3.246 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccncc3Cl)c2)CCO1 ZINC000527644806 459682789 /nfs/dbraw/zinc/68/27/89/459682789.db2.gz IFBWXYIEUYYKGR-OAHLLOKOSA-N 2 2 345.874 3.246 20 0 EGADLP Cc1ncccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000527793713 459739139 /nfs/dbraw/zinc/73/91/39/459739139.db2.gz NOFBKHRYJWNFQY-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP c1ccc2c(c1)cc[nH+]c2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000527914386 459771555 /nfs/dbraw/zinc/77/15/55/459771555.db2.gz LYVNYTSFTQMLLK-UHFFFAOYSA-N 2 2 325.456 3.316 20 0 EGADLP Cc1noc(C2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)CC2)n1 ZINC000527948854 459779651 /nfs/dbraw/zinc/77/96/51/459779651.db2.gz MKSRHYINTSXJMR-LEOMRAHMSA-N 2 2 332.492 3.401 20 0 EGADLP Cc1noc(C2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)CC2)n1 ZINC000527948854 459779654 /nfs/dbraw/zinc/77/96/54/459779654.db2.gz MKSRHYINTSXJMR-LEOMRAHMSA-N 2 2 332.492 3.401 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000566039405 459796446 /nfs/dbraw/zinc/79/64/46/459796446.db2.gz ONAJDIQOIAMPTF-PZJWPPBQSA-N 2 2 347.547 3.078 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000566039405 459796450 /nfs/dbraw/zinc/79/64/50/459796450.db2.gz ONAJDIQOIAMPTF-PZJWPPBQSA-N 2 2 347.547 3.078 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCc1c[nH+]cn1C ZINC000584789317 459803184 /nfs/dbraw/zinc/80/31/84/459803184.db2.gz XJLCKRDIEKVYLD-ROUUACIJSA-N 3 2 340.515 3.099 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000584796284 459803947 /nfs/dbraw/zinc/80/39/47/459803947.db2.gz LZUTVVXTGZALJY-CXAGYDPISA-N 2 2 328.472 3.313 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000566108854 459806467 /nfs/dbraw/zinc/80/64/67/459806467.db2.gz GKYHXSPNLFLMII-CVEARBPZSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)c(C)c[nH+]1 ZINC000545198209 459808796 /nfs/dbraw/zinc/80/87/96/459808796.db2.gz GGERJXFRXOHPQI-DENIHFKCSA-N 2 2 349.478 3.361 20 0 EGADLP Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c(C)c[nH+]1 ZINC000545198209 459808799 /nfs/dbraw/zinc/80/87/99/459808799.db2.gz GGERJXFRXOHPQI-DENIHFKCSA-N 2 2 349.478 3.361 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000545913058 459870772 /nfs/dbraw/zinc/87/07/72/459870772.db2.gz MZESOONLUZVYFJ-FQEVSTJZSA-N 2 2 346.515 3.433 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000545912604 459870865 /nfs/dbraw/zinc/87/08/65/459870865.db2.gz DDNSJVOHUYDNQB-NZSAHSFTSA-N 2 2 338.536 3.454 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000574871066 459884877 /nfs/dbraw/zinc/88/48/77/459884877.db2.gz OOEQDRHMAKILDK-QGZVFWFLSA-N 2 2 325.456 3.125 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1ccccc1 ZINC000574871066 459884881 /nfs/dbraw/zinc/88/48/81/459884881.db2.gz OOEQDRHMAKILDK-QGZVFWFLSA-N 2 2 325.456 3.125 20 0 EGADLP CCCN(CCC[NH+](C)C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000613866865 459955701 /nfs/dbraw/zinc/95/57/01/459955701.db2.gz CEYZYFCYBRPLEV-SFHVURJKSA-N 2 2 342.487 3.122 20 0 EGADLP Cc1nccnc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719532 460024877 /nfs/dbraw/zinc/02/48/77/460024877.db2.gz PSFMOLPGWMJTKA-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719532 460024884 /nfs/dbraw/zinc/02/48/84/460024884.db2.gz PSFMOLPGWMJTKA-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000621719532 460024891 /nfs/dbraw/zinc/02/48/91/460024891.db2.gz PSFMOLPGWMJTKA-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000621719532 460024900 /nfs/dbraw/zinc/02/49/00/460024900.db2.gz PSFMOLPGWMJTKA-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Clc1cc(Cl)cc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000625099735 460031939 /nfs/dbraw/zinc/03/19/39/460031939.db2.gz SPOQJWXWQQUGEP-TXEJJXNPSA-N 2 2 338.238 3.300 20 0 EGADLP Clc1cc(Cl)cc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000625099735 460031941 /nfs/dbraw/zinc/03/19/41/460031941.db2.gz SPOQJWXWQQUGEP-TXEJJXNPSA-N 2 2 338.238 3.300 20 0 EGADLP CCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000576053644 460060030 /nfs/dbraw/zinc/06/00/30/460060030.db2.gz WWUZGVFGCTYWMK-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP CCCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000576053644 460060037 /nfs/dbraw/zinc/06/00/37/460060037.db2.gz WWUZGVFGCTYWMK-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783593 460061101 /nfs/dbraw/zinc/06/11/01/460061101.db2.gz DGZRMXLFUWJBFK-DYESRHJHSA-N 2 2 332.451 3.315 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783593 460061108 /nfs/dbraw/zinc/06/11/08/460061108.db2.gz DGZRMXLFUWJBFK-DYESRHJHSA-N 2 2 332.451 3.315 20 0 EGADLP CC[C@@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)[NH+](C)C ZINC000614354293 460110081 /nfs/dbraw/zinc/11/00/81/460110081.db2.gz TVMJODMPYNIZAN-KRWDZBQOSA-N 2 2 326.444 3.165 20 0 EGADLP CC[C@@H](C[NH2+]Cc1nn(C)c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000589639216 460117301 /nfs/dbraw/zinc/11/73/01/460117301.db2.gz WQIXVDGQVBKFDM-IBGZPJMESA-N 2 2 348.494 3.500 20 0 EGADLP CC[C@@H](C[NH2+]Cc1nn(C)c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000589639216 460117308 /nfs/dbraw/zinc/11/73/08/460117308.db2.gz WQIXVDGQVBKFDM-IBGZPJMESA-N 2 2 348.494 3.500 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)[C@H]1CCC[NH2+]1 ZINC000576338144 460120044 /nfs/dbraw/zinc/12/00/44/460120044.db2.gz SLWGVWMHCHQUFJ-IFXJQAMLSA-N 2 2 341.430 3.308 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000599030424 460134064 /nfs/dbraw/zinc/13/40/64/460134064.db2.gz FSKDFKUONGXIMT-NKELODKYSA-N 2 2 332.488 3.309 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000599047071 460139734 /nfs/dbraw/zinc/13/97/34/460139734.db2.gz OIQGYSIDRPNMPD-OYGLOCFBSA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000599047071 460139740 /nfs/dbraw/zinc/13/97/40/460139740.db2.gz OIQGYSIDRPNMPD-OYGLOCFBSA-N 2 2 344.499 3.361 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000576628181 460180796 /nfs/dbraw/zinc/18/07/96/460180796.db2.gz QJIOMYOQLZVUHG-GFCCVEGCSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)C1CC1 ZINC000576628181 460180802 /nfs/dbraw/zinc/18/08/02/460180802.db2.gz QJIOMYOQLZVUHG-GFCCVEGCSA-N 2 2 343.393 3.106 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000623089807 460408580 /nfs/dbraw/zinc/40/85/80/460408580.db2.gz ZNMKLNKRXRFCCX-UHFFFAOYSA-N 2 2 341.427 3.470 20 0 EGADLP O=C1C[C@@]2(CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)Oc2ccccc21 ZINC000628424163 460409882 /nfs/dbraw/zinc/40/98/82/460409882.db2.gz AAZPCEHMEFFSPG-OAQYLSRUSA-N 2 2 347.418 3.334 20 0 EGADLP O=C1C[C@@]2(CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)Oc2ccccc21 ZINC000628424163 460409885 /nfs/dbraw/zinc/40/98/85/460409885.db2.gz AAZPCEHMEFFSPG-OAQYLSRUSA-N 2 2 347.418 3.334 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000628476185 460430340 /nfs/dbraw/zinc/43/03/40/460430340.db2.gz KJQBNZRQYQJHLM-WOJBJXKFSA-N 2 2 328.500 3.367 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195475 460434004 /nfs/dbraw/zinc/43/40/04/460434004.db2.gz JMKFOIVZXIFBQE-HOCLYGCPSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195475 460434012 /nfs/dbraw/zinc/43/40/12/460434012.db2.gz JMKFOIVZXIFBQE-HOCLYGCPSA-N 2 2 329.444 3.134 20 0 EGADLP O[C@@]1(C[N@@H+]2CC[C@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646829 460457406 /nfs/dbraw/zinc/45/74/06/460457406.db2.gz LWUWOGQSFZZCDZ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[N@H+]2CC[C@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646829 460457412 /nfs/dbraw/zinc/45/74/12/460457412.db2.gz LWUWOGQSFZZCDZ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646829 460457415 /nfs/dbraw/zinc/45/74/15/460457415.db2.gz LWUWOGQSFZZCDZ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646829 460457420 /nfs/dbraw/zinc/45/74/20/460457420.db2.gz LWUWOGQSFZZCDZ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000623424968 460541551 /nfs/dbraw/zinc/54/15/51/460541551.db2.gz MPJUAJSPHCZGGI-LBPRGKRZSA-N 2 2 348.434 3.357 20 0 EGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000623867380 460752782 /nfs/dbraw/zinc/75/27/82/460752782.db2.gz ZPFAMUGYUJFXLY-KRWDZBQOSA-N 2 2 343.496 3.143 20 0 EGADLP Fc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000629534406 460798919 /nfs/dbraw/zinc/79/89/19/460798919.db2.gz YJEJMDWGSVINES-RDTXWAMCSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000629534406 460798926 /nfs/dbraw/zinc/79/89/26/460798926.db2.gz YJEJMDWGSVINES-RDTXWAMCSA-N 2 2 329.419 3.445 20 0 EGADLP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632725638 460809514 /nfs/dbraw/zinc/80/95/14/460809514.db2.gz SJWLABRXBYRWHY-UHFFFAOYSA-N 2 2 326.444 3.025 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564854 460810323 /nfs/dbraw/zinc/81/03/23/460810323.db2.gz VDUNCBPLJLNOEY-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564854 460810326 /nfs/dbraw/zinc/81/03/26/460810326.db2.gz VDUNCBPLJLNOEY-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(C)ccc1C ZINC000624010290 460820950 /nfs/dbraw/zinc/82/09/50/460820950.db2.gz LWTUUVPTLSKJDT-SQGPQFPESA-N 2 2 340.471 3.098 20 0 EGADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000624015024 460822604 /nfs/dbraw/zinc/82/26/04/460822604.db2.gz MHEXGULVWAZQQP-KDOFPFPSSA-N 2 2 338.854 3.309 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000629651114 460847673 /nfs/dbraw/zinc/84/76/73/460847673.db2.gz JJANBLJTAWPHLQ-UHFFFAOYSA-N 2 2 340.496 3.441 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000629651114 460847679 /nfs/dbraw/zinc/84/76/79/460847679.db2.gz JJANBLJTAWPHLQ-UHFFFAOYSA-N 2 2 340.496 3.441 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629657227 460850601 /nfs/dbraw/zinc/85/06/01/460850601.db2.gz VAIKRVQHORNQEB-CHWSQXEVSA-N 2 2 334.357 3.184 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629657227 460850606 /nfs/dbraw/zinc/85/06/06/460850606.db2.gz VAIKRVQHORNQEB-CHWSQXEVSA-N 2 2 334.357 3.184 20 0 EGADLP COCCc1ccc(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)cc1 ZINC000629701581 460875748 /nfs/dbraw/zinc/87/57/48/460875748.db2.gz WNKDVEQOWZFCBA-UHFFFAOYSA-N 2 2 336.439 3.058 20 0 EGADLP C[NH+](C)Cc1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)cc1F ZINC000629708734 460880244 /nfs/dbraw/zinc/88/02/44/460880244.db2.gz KMTWLVZWJSZOEZ-UHFFFAOYSA-N 2 2 343.446 3.210 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000621355520 461005521 /nfs/dbraw/zinc/00/55/21/461005521.db2.gz OYQUHCNAEJAEPJ-OXJNMPFZSA-N 2 2 325.456 3.233 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000621355520 461005531 /nfs/dbraw/zinc/00/55/31/461005531.db2.gz OYQUHCNAEJAEPJ-OXJNMPFZSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190361 461041923 /nfs/dbraw/zinc/04/19/23/461041923.db2.gz DJFPMTRNXHFWRA-BLLLJJGKSA-N 2 2 349.276 3.432 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190361 461041928 /nfs/dbraw/zinc/04/19/28/461041928.db2.gz DJFPMTRNXHFWRA-BLLLJJGKSA-N 2 2 349.276 3.432 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190486 461042239 /nfs/dbraw/zinc/04/22/39/461042239.db2.gz HTPZVWQYHLTLLO-MCIONIFRSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190486 461042241 /nfs/dbraw/zinc/04/22/41/461042241.db2.gz HTPZVWQYHLTLLO-MCIONIFRSA-N 2 2 348.434 3.450 20 0 EGADLP C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242481 461059996 /nfs/dbraw/zinc/05/99/96/461059996.db2.gz HJUKNOIDCMPDDE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000628242481 461060002 /nfs/dbraw/zinc/06/00/02/461060002.db2.gz HJUKNOIDCMPDDE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2[nH]ccc2c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000628242481 461060007 /nfs/dbraw/zinc/06/00/07/461060007.db2.gz HJUKNOIDCMPDDE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1ccc2[nH]ccc2c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000628242481 461060010 /nfs/dbraw/zinc/06/00/10/461060010.db2.gz HJUKNOIDCMPDDE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ncc1Br ZINC000628281432 461071103 /nfs/dbraw/zinc/07/11/03/461071103.db2.gz YWBOFJMABCSXEO-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ncc1Br ZINC000628281432 461071108 /nfs/dbraw/zinc/07/11/08/461071108.db2.gz YWBOFJMABCSXEO-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ncc1Br ZINC000628281432 461071112 /nfs/dbraw/zinc/07/11/12/461071112.db2.gz YWBOFJMABCSXEO-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ncc1Br ZINC000628281432 461071117 /nfs/dbraw/zinc/07/11/17/461071117.db2.gz YWBOFJMABCSXEO-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(NC(=O)NCC2([NH3+])CCCC2)c[nH+]c1N1CCCC[C@H]1C ZINC000659007624 461133698 /nfs/dbraw/zinc/13/36/98/461133698.db2.gz PEIUOLYSBAZTGR-OAHLLOKOSA-N 2 2 345.491 3.162 20 0 EGADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353772 461147853 /nfs/dbraw/zinc/14/78/53/461147853.db2.gz CQRVGDLRHSOPJJ-PBHICJAKSA-N 2 2 344.459 3.085 20 0 EGADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353772 461147860 /nfs/dbraw/zinc/14/78/60/461147860.db2.gz CQRVGDLRHSOPJJ-PBHICJAKSA-N 2 2 344.459 3.085 20 0 EGADLP CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662258210 461148746 /nfs/dbraw/zinc/14/87/46/461148746.db2.gz SNYIDTMNCDRJDE-QGZVFWFLSA-N 2 2 326.444 3.176 20 0 EGADLP CC(C)c1nc([C@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662258210 461148750 /nfs/dbraw/zinc/14/87/50/461148750.db2.gz SNYIDTMNCDRJDE-QGZVFWFLSA-N 2 2 326.444 3.176 20 0 EGADLP CCCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1CC[N@H+](C)C1 ZINC000646261168 461156280 /nfs/dbraw/zinc/15/62/80/461156280.db2.gz NTFDFOSNTKWBRF-KRWDZBQOSA-N 2 2 341.459 3.035 20 0 EGADLP CCCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000646261168 461156290 /nfs/dbraw/zinc/15/62/90/461156290.db2.gz NTFDFOSNTKWBRF-KRWDZBQOSA-N 2 2 341.459 3.035 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000637982974 461172263 /nfs/dbraw/zinc/17/22/63/461172263.db2.gz JNJSIXARQDULBB-QGZVFWFLSA-N 2 2 327.428 3.225 20 0 EGADLP OCC1([C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccccc2)CCCC1 ZINC000668229817 461196027 /nfs/dbraw/zinc/19/60/27/461196027.db2.gz UUNBJINYHHYHAT-IBGZPJMESA-N 2 2 325.456 3.213 20 0 EGADLP CC[N@H+](Cc1ccoc1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638015246 461197382 /nfs/dbraw/zinc/19/73/82/461197382.db2.gz IXAZRCBEIZRGFO-UHFFFAOYSA-N 2 2 344.455 3.013 20 0 EGADLP CC[N@@H+](Cc1ccoc1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638015246 461197390 /nfs/dbraw/zinc/19/73/90/461197390.db2.gz IXAZRCBEIZRGFO-UHFFFAOYSA-N 2 2 344.455 3.013 20 0 EGADLP COCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000649622883 461228699 /nfs/dbraw/zinc/22/86/99/461228699.db2.gz YJELHHWKLQZCHO-CVEARBPZSA-N 2 2 330.394 3.467 20 0 EGADLP COCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000649622883 461228704 /nfs/dbraw/zinc/22/87/04/461228704.db2.gz YJELHHWKLQZCHO-CVEARBPZSA-N 2 2 330.394 3.467 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638186217 461297570 /nfs/dbraw/zinc/29/75/70/461297570.db2.gz OEGZXSLYZZDFJJ-LJQANCHMSA-N 2 2 339.487 3.044 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH3+])c1)Cc1ccccc1Cl ZINC000646579193 461338549 /nfs/dbraw/zinc/33/85/49/461338549.db2.gz BAXLECIROSVDJZ-UHFFFAOYSA-N 2 2 331.847 3.259 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000655694913 461366922 /nfs/dbraw/zinc/36/69/22/461366922.db2.gz IMESWHZGJAKORG-ZFWWWQNUSA-N 2 2 340.414 3.192 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000655698908 461369167 /nfs/dbraw/zinc/36/91/67/461369167.db2.gz YRJOHYRJKFRAEW-CJNGLKHVSA-N 2 2 340.414 3.192 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655705140 461376522 /nfs/dbraw/zinc/37/65/22/461376522.db2.gz XCCMNHVSPYUFDN-UHFFFAOYSA-N 2 2 326.488 3.453 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000668690204 461385060 /nfs/dbraw/zinc/38/50/60/461385060.db2.gz VHEOEGFEZVYOMR-WGSAOQKQSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000668690204 461385064 /nfs/dbraw/zinc/38/50/64/461385064.db2.gz VHEOEGFEZVYOMR-WGSAOQKQSA-N 2 2 349.563 3.077 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360634 461385680 /nfs/dbraw/zinc/38/56/80/461385680.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360634 461385690 /nfs/dbraw/zinc/38/56/90/461385690.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360634 461385701 /nfs/dbraw/zinc/38/57/01/461385701.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360634 461385711 /nfs/dbraw/zinc/38/57/11/461385711.db2.gz XQMQOVCSRINWDI-JLMWRMLUSA-N 3 2 339.527 3.428 20 0 EGADLP CCOc1cc(C)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655723680 461393011 /nfs/dbraw/zinc/39/30/11/461393011.db2.gz RMICFJIOTSVTOZ-IBGZPJMESA-N 2 2 332.488 3.127 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631056631 461509263 /nfs/dbraw/zinc/50/92/63/461509263.db2.gz LBTYFHRULLSXIL-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631056631 461509269 /nfs/dbraw/zinc/50/92/69/461509269.db2.gz LBTYFHRULLSXIL-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CCC[C@H](C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)OC ZINC000638638264 461513675 /nfs/dbraw/zinc/51/36/75/461513675.db2.gz BSXRVCLCBDNJRJ-IEBWSBKVSA-N 2 2 334.504 3.291 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CS[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000638638899 461514801 /nfs/dbraw/zinc/51/48/01/461514801.db2.gz GYHDQYNLPYGIJK-JFIYKMOQSA-N 2 2 334.529 3.370 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]CCC2CCOCC2)CCOCC1)c1ccccc1 ZINC000638642993 461516357 /nfs/dbraw/zinc/51/63/57/461516357.db2.gz YBYHOVUVZAEYCB-GOSISDBHSA-N 2 2 346.515 3.293 20 0 EGADLP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000659973150 461523963 /nfs/dbraw/zinc/52/39/63/461523963.db2.gz MHASDZDQGATHHE-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000659973150 461523975 /nfs/dbraw/zinc/52/39/75/461523975.db2.gz MHASDZDQGATHHE-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000659973150 461523984 /nfs/dbraw/zinc/52/39/84/461523984.db2.gz MHASDZDQGATHHE-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000659973150 461523995 /nfs/dbraw/zinc/52/39/95/461523995.db2.gz MHASDZDQGATHHE-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663322232 461557974 /nfs/dbraw/zinc/55/79/74/461557974.db2.gz FRLBBCNACZUXQO-QGZVFWFLSA-N 2 2 348.450 3.130 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663322232 461557980 /nfs/dbraw/zinc/55/79/80/461557980.db2.gz FRLBBCNACZUXQO-QGZVFWFLSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1cscc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631120086 461565112 /nfs/dbraw/zinc/56/51/12/461565112.db2.gz HMNWBVMKBSIEHX-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP COc1cccc2c1C[N@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000650109892 461575857 /nfs/dbraw/zinc/57/58/57/461575857.db2.gz WQPISAJTKQNBRS-UHFFFAOYSA-N 2 2 333.435 3.498 20 0 EGADLP COc1cccc2c1C[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000650109892 461575866 /nfs/dbraw/zinc/57/58/66/461575866.db2.gz WQPISAJTKQNBRS-UHFFFAOYSA-N 2 2 333.435 3.498 20 0 EGADLP COc1cccc(C)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000638789908 461579723 /nfs/dbraw/zinc/57/97/23/461579723.db2.gz KUZBHZXEOPVXLF-QGZVFWFLSA-N 2 2 340.471 3.151 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112293 461586981 /nfs/dbraw/zinc/58/69/81/461586981.db2.gz JOKHCUQDQFNHME-FGTMMUONSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112293 461586990 /nfs/dbraw/zinc/58/69/90/461586990.db2.gz JOKHCUQDQFNHME-FGTMMUONSA-N 2 2 346.519 3.051 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)cn21 ZINC000647364685 461659304 /nfs/dbraw/zinc/65/93/04/461659304.db2.gz IQBVAHICTQDLDS-HNNXBMFYSA-N 2 2 337.423 3.307 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccccc3-n3ccnn3)cn21 ZINC000647363969 461659382 /nfs/dbraw/zinc/65/93/82/461659382.db2.gz PDVJUSDZUACEEI-INIZCTEOSA-N 2 2 346.438 3.117 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cscc3Cl)CC2)CC1 ZINC000643295913 461671619 /nfs/dbraw/zinc/67/16/19/461671619.db2.gz SIECRQWMJLRAKS-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cscc3Cl)CC2)CC1 ZINC000643295913 461671627 /nfs/dbraw/zinc/67/16/27/461671627.db2.gz SIECRQWMJLRAKS-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cscc3Cl)CC2)CC1 ZINC000643295913 461671635 /nfs/dbraw/zinc/67/16/35/461671635.db2.gz SIECRQWMJLRAKS-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cscc3Cl)CC2)CC1 ZINC000643295913 461671646 /nfs/dbraw/zinc/67/16/46/461671646.db2.gz SIECRQWMJLRAKS-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656251000 461673657 /nfs/dbraw/zinc/67/36/57/461673657.db2.gz DCESWJCMPCPZMT-QGZVFWFLSA-N 2 2 339.418 3.353 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656251000 461673660 /nfs/dbraw/zinc/67/36/60/461673660.db2.gz DCESWJCMPCPZMT-QGZVFWFLSA-N 2 2 339.418 3.353 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000663508792 461677436 /nfs/dbraw/zinc/67/74/36/461677436.db2.gz DTNXPQUFRUSPMK-ZDUSSCGKSA-N 2 2 331.847 3.290 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656256382 461681687 /nfs/dbraw/zinc/68/16/87/461681687.db2.gz ZDMZMYKKYCOUGZ-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000656256382 461681695 /nfs/dbraw/zinc/68/16/95/461681695.db2.gz ZDMZMYKKYCOUGZ-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656256382 461681702 /nfs/dbraw/zinc/68/17/02/461681702.db2.gz ZDMZMYKKYCOUGZ-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656256382 461681710 /nfs/dbraw/zinc/68/17/10/461681710.db2.gz ZDMZMYKKYCOUGZ-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000656260883 461685176 /nfs/dbraw/zinc/68/51/76/461685176.db2.gz XUMJYEAPHBQEDM-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000656260883 461685185 /nfs/dbraw/zinc/68/51/85/461685185.db2.gz XUMJYEAPHBQEDM-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000656260883 461685195 /nfs/dbraw/zinc/68/51/95/461685195.db2.gz XUMJYEAPHBQEDM-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000656260883 461685204 /nfs/dbraw/zinc/68/52/04/461685204.db2.gz XUMJYEAPHBQEDM-FQEVSTJZSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1cc(CO)cc(N2CCC[N@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000663520243 461685792 /nfs/dbraw/zinc/68/57/92/461685792.db2.gz COIDMOPZXVJZGC-UHFFFAOYSA-N 2 2 339.483 3.027 20 0 EGADLP Cc1cc(CO)cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)[nH+]1 ZINC000663520243 461685801 /nfs/dbraw/zinc/68/58/01/461685801.db2.gz COIDMOPZXVJZGC-UHFFFAOYSA-N 2 2 339.483 3.027 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)cc1 ZINC000653509473 461688358 /nfs/dbraw/zinc/68/83/58/461688358.db2.gz ITRRVJUOWOUORO-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)cc1 ZINC000653509473 461688361 /nfs/dbraw/zinc/68/83/61/461688361.db2.gz ITRRVJUOWOUORO-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP CC(C)c1[nH+]c(CNC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccn21 ZINC000656270138 461695409 /nfs/dbraw/zinc/69/54/09/461695409.db2.gz YWGVNSRAVCJPEF-ZACQAIPSSA-N 2 2 344.503 3.045 20 0 EGADLP CC(C)c1[nH+]c(CNC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccn21 ZINC000656270138 461695417 /nfs/dbraw/zinc/69/54/17/461695417.db2.gz YWGVNSRAVCJPEF-ZACQAIPSSA-N 2 2 344.503 3.045 20 0 EGADLP Cc1cnc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000639062871 461699329 /nfs/dbraw/zinc/69/93/29/461699329.db2.gz VROWXZRDKNUHMY-UHFFFAOYSA-N 2 2 349.232 3.034 20 0 EGADLP Clc1cnc2oc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000656281122 461703509 /nfs/dbraw/zinc/70/35/09/461703509.db2.gz MLSHJHOELZONDL-MRXNPFEDSA-N 2 2 349.862 3.168 20 0 EGADLP Clc1cnc2oc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000656281122 461703520 /nfs/dbraw/zinc/70/35/20/461703520.db2.gz MLSHJHOELZONDL-MRXNPFEDSA-N 2 2 349.862 3.168 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1OC(F)F ZINC000647498607 461736440 /nfs/dbraw/zinc/73/64/40/461736440.db2.gz KYMRNOVHPRQYHB-TZMCWYRMSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1OC(F)F ZINC000647498607 461736448 /nfs/dbraw/zinc/73/64/48/461736448.db2.gz KYMRNOVHPRQYHB-TZMCWYRMSA-N 2 2 328.403 3.246 20 0 EGADLP CCC1(O)CCC([NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000643474194 461740068 /nfs/dbraw/zinc/74/00/68/461740068.db2.gz NBEXPALQOPMMAY-RTRUNKLESA-N 2 2 332.488 3.162 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591244 461744948 /nfs/dbraw/zinc/74/49/48/461744948.db2.gz XHJZTEAFYRUXQT-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591244 461744955 /nfs/dbraw/zinc/74/49/55/461744955.db2.gz XHJZTEAFYRUXQT-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507266 461748333 /nfs/dbraw/zinc/74/83/33/461748333.db2.gz XQVQHCSPTKIILH-CQSZACIVSA-N 2 2 325.250 3.004 20 0 EGADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000643527981 461754831 /nfs/dbraw/zinc/75/48/31/461754831.db2.gz WSIXNQXQTSIPCY-YUMQZZPRSA-N 2 2 325.172 3.466 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2cccc(Br)c21 ZINC000643537265 461757393 /nfs/dbraw/zinc/75/73/93/461757393.db2.gz CBLYHEFPRNBMOR-RMIALFOJSA-N 2 2 327.241 3.287 20 0 EGADLP C[C@H](Cc1cccs1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643544691 461758234 /nfs/dbraw/zinc/75/82/34/461758234.db2.gz YPZCVDCDSJBVPA-QGZVFWFLSA-N 3 2 343.540 3.262 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000639145616 461761419 /nfs/dbraw/zinc/76/14/19/461761419.db2.gz UAZYXUKPNJWEHB-DLBZAZTESA-N 2 2 332.879 3.417 20 0 EGADLP CCc1nnc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000656533689 461777231 /nfs/dbraw/zinc/77/72/31/461777231.db2.gz YCSFPBHTQGSHPO-CQSZACIVSA-N 2 2 337.427 3.063 20 0 EGADLP CO[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000639216369 461810159 /nfs/dbraw/zinc/81/01/59/461810159.db2.gz VKCRFNKMEOBOMO-SFHVURJKSA-N 2 2 349.862 3.057 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798814 461841925 /nfs/dbraw/zinc/84/19/25/461841925.db2.gz XTATWCCMXPTTHU-SOUVJXGZSA-N 3 2 330.863 3.003 20 0 EGADLP Cc1ccc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)s1 ZINC000647867656 461864022 /nfs/dbraw/zinc/86/40/22/461864022.db2.gz QATRYNSIJPXFMN-MRXNPFEDSA-N 2 2 342.468 3.418 20 0 EGADLP COc1ccc(-c2c[nH+]c(NCc3[nH+]ccn3C(C)C)n2C)cc1 ZINC000656775991 461887172 /nfs/dbraw/zinc/88/71/72/461887172.db2.gz BFYTXSSOGLMZJD-UHFFFAOYSA-N 2 2 325.416 3.485 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647940219 461898737 /nfs/dbraw/zinc/89/87/37/461898737.db2.gz PQJVYFDAQNJVPL-VQIMIIECSA-N 2 2 337.467 3.351 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1[NH3+] ZINC000647940219 461898741 /nfs/dbraw/zinc/89/87/41/461898741.db2.gz PQJVYFDAQNJVPL-VQIMIIECSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)[C@H]1CC[NH3+] ZINC000650711020 461904926 /nfs/dbraw/zinc/90/49/26/461904926.db2.gz GLODCMNLWYCQDK-NHYWBVRUSA-N 2 2 327.266 3.104 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)[C@H]1CC[NH3+] ZINC000650711020 461904929 /nfs/dbraw/zinc/90/49/29/461904929.db2.gz GLODCMNLWYCQDK-NHYWBVRUSA-N 2 2 327.266 3.104 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660655099 461906175 /nfs/dbraw/zinc/90/61/75/461906175.db2.gz KKRKJHYYSJJZQK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660655099 461906179 /nfs/dbraw/zinc/90/61/79/461906179.db2.gz KKRKJHYYSJJZQK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655099 461906187 /nfs/dbraw/zinc/90/61/87/461906187.db2.gz KKRKJHYYSJJZQK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655099 461906191 /nfs/dbraw/zinc/90/61/91/461906191.db2.gz KKRKJHYYSJJZQK-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977455 461918856 /nfs/dbraw/zinc/91/88/56/461918856.db2.gz BPIORNKZOOYQMP-IAGOWNOFSA-N 2 2 332.492 3.329 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977455 461918863 /nfs/dbraw/zinc/91/88/63/461918863.db2.gz BPIORNKZOOYQMP-IAGOWNOFSA-N 2 2 332.492 3.329 20 0 EGADLP CC(C)Cn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000648004486 461933581 /nfs/dbraw/zinc/93/35/81/461933581.db2.gz LFVHZKUSAQJSEN-IBGZPJMESA-N 2 2 332.536 3.483 20 0 EGADLP CC(C)Cn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000648004486 461933585 /nfs/dbraw/zinc/93/35/85/461933585.db2.gz LFVHZKUSAQJSEN-IBGZPJMESA-N 2 2 332.536 3.483 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000644427959 461955084 /nfs/dbraw/zinc/95/50/84/461955084.db2.gz WCQMWHVBRMJESE-MXASKKJJSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000644427959 461955091 /nfs/dbraw/zinc/95/50/91/461955091.db2.gz WCQMWHVBRMJESE-MXASKKJJSA-N 2 2 342.405 3.257 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000644569222 461990184 /nfs/dbraw/zinc/99/01/84/461990184.db2.gz BPENSCWUKFVPDA-VQTJNVASSA-N 2 2 342.483 3.044 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)CCC(C)(C)[NH3+])ccc2n1C1CC1 ZINC000648175418 461998729 /nfs/dbraw/zinc/99/87/29/461998729.db2.gz UPZFGWLAWDZLTA-UHFFFAOYSA-N 2 2 328.460 3.067 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000657285398 462017950 /nfs/dbraw/zinc/01/79/50/462017950.db2.gz BYNUAZJBJFCPFN-KRWDZBQOSA-N 2 2 330.501 3.286 20 0 EGADLP c1c2ccncc2sc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657313351 462038349 /nfs/dbraw/zinc/03/83/49/462038349.db2.gz KFTUBJXESIMEHI-UHFFFAOYSA-N 2 2 338.480 3.446 20 0 EGADLP Clc1cccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)c1Cl ZINC000657328037 462049422 /nfs/dbraw/zinc/04/94/22/462049422.db2.gz PMYKBKXJNKLGAH-UHFFFAOYSA-N 2 2 326.227 3.305 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000667345702 462050093 /nfs/dbraw/zinc/05/00/93/462050093.db2.gz OJAQRRSEPRFMRR-HOTGVXAUSA-N 2 2 345.491 3.032 20 0 EGADLP Fc1cccc(Oc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cn2)c1 ZINC000657339845 462058393 /nfs/dbraw/zinc/05/83/93/462058393.db2.gz OKZYUNDUSRBPLO-UHFFFAOYSA-N 2 2 338.386 3.446 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2ccc(F)c(Br)c2)n1C ZINC000657398598 462097011 /nfs/dbraw/zinc/09/70/11/462097011.db2.gz NKQIVDWLGRUEQZ-SNVBAGLBSA-N 2 2 340.240 3.351 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000648409857 462104824 /nfs/dbraw/zinc/10/48/24/462104824.db2.gz BIPMOQDRHGDQAI-PZJWPPBQSA-N 2 2 345.531 3.054 20 0 EGADLP OCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000657464504 462139997 /nfs/dbraw/zinc/13/99/97/462139997.db2.gz OTAUJRIMTUWMFX-HNNXBMFYSA-N 2 2 340.254 3.349 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561110 462144324 /nfs/dbraw/zinc/14/43/24/462144324.db2.gz LJGHWMKXBHGCDC-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561110 462144332 /nfs/dbraw/zinc/14/43/32/462144332.db2.gz LJGHWMKXBHGCDC-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561110 462144340 /nfs/dbraw/zinc/14/43/40/462144340.db2.gz LJGHWMKXBHGCDC-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561110 462144346 /nfs/dbraw/zinc/14/43/46/462144346.db2.gz LJGHWMKXBHGCDC-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667587123 462160081 /nfs/dbraw/zinc/16/00/81/462160081.db2.gz HUKDAMHNDCTEEZ-CQSZACIVSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000667587123 462160077 /nfs/dbraw/zinc/16/00/77/462160077.db2.gz HUKDAMHNDCTEEZ-CQSZACIVSA-N 2 2 335.249 3.186 20 0 EGADLP C[N@@H+](Cc1ccnn1CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620924 462177071 /nfs/dbraw/zinc/17/70/71/462177071.db2.gz UPAYTSOJCJRWPM-HXUWFJFHSA-N 2 2 338.499 3.247 20 0 EGADLP C[N@H+](Cc1ccnn1CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620924 462177078 /nfs/dbraw/zinc/17/70/78/462177078.db2.gz UPAYTSOJCJRWPM-HXUWFJFHSA-N 2 2 338.499 3.247 20 0 EGADLP C[NH+](Cc1ccnn1CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620924 462177083 /nfs/dbraw/zinc/17/70/83/462177083.db2.gz UPAYTSOJCJRWPM-HXUWFJFHSA-N 2 2 338.499 3.247 20 0 EGADLP C[NH+](Cc1ccnn1CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620924 462177089 /nfs/dbraw/zinc/17/70/89/462177089.db2.gz UPAYTSOJCJRWPM-HXUWFJFHSA-N 2 2 338.499 3.247 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667670614 462202819 /nfs/dbraw/zinc/20/28/19/462202819.db2.gz VDJBJULQVZDYTP-IBGZPJMESA-N 2 2 348.441 3.276 20 0 EGADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000639983067 462203762 /nfs/dbraw/zinc/20/37/62/462203762.db2.gz NZVODZYWICNNMH-MSOLQXFVSA-N 2 2 343.515 3.203 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753062 462251885 /nfs/dbraw/zinc/25/18/85/462251885.db2.gz MWABYFZIMPQLHQ-AOIWGVFYSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753062 462251889 /nfs/dbraw/zinc/25/18/89/462251889.db2.gz MWABYFZIMPQLHQ-AOIWGVFYSA-N 2 2 343.515 3.059 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CCN3Cc3ccccc3)cc2)c[nH+]1 ZINC000657807219 462277161 /nfs/dbraw/zinc/27/71/61/462277161.db2.gz LHAMAPNCUUZNRN-OAQYLSRUSA-N 2 2 332.451 3.236 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000651645050 462288264 /nfs/dbraw/zinc/28/82/64/462288264.db2.gz GQVWVFZVRNBVID-OAHLLOKOSA-N 2 2 336.451 3.151 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000651645050 462288267 /nfs/dbraw/zinc/28/82/67/462288267.db2.gz GQVWVFZVRNBVID-OAHLLOKOSA-N 2 2 336.451 3.151 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000651650209 462290022 /nfs/dbraw/zinc/29/00/22/462290022.db2.gz GZYLDALVOKKRNL-XJKSGUPXSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000651650209 462290027 /nfs/dbraw/zinc/29/00/27/462290027.db2.gz GZYLDALVOKKRNL-XJKSGUPXSA-N 2 2 333.407 3.123 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657881216 462307811 /nfs/dbraw/zinc/30/78/11/462307811.db2.gz RPVQEAKRIISBNL-AYBZRNKSSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657881216 462307817 /nfs/dbraw/zinc/30/78/17/462307817.db2.gz RPVQEAKRIISBNL-AYBZRNKSSA-N 2 2 335.923 3.202 20 0 EGADLP CC[NH+](CC)CCN(Cc1c[nH+]cn1C)Cc1ccc(Cl)cc1 ZINC000661575804 462316374 /nfs/dbraw/zinc/31/63/74/462316374.db2.gz MFURCRIGGPCENU-UHFFFAOYSA-N 2 2 334.895 3.418 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000665249488 462368967 /nfs/dbraw/zinc/36/89/67/462368967.db2.gz RIJAJZJKOFNWFD-GFCCVEGCSA-N 2 2 333.867 3.151 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000654758565 462375576 /nfs/dbraw/zinc/37/55/76/462375576.db2.gz GEHWMFVUUXLCSF-ZWKOTPCHSA-N 2 2 349.906 3.030 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661727784 462384081 /nfs/dbraw/zinc/38/40/81/462384081.db2.gz GYDXBYFNLMBFHJ-GOSISDBHSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661727784 462384083 /nfs/dbraw/zinc/38/40/83/462384083.db2.gz GYDXBYFNLMBFHJ-GOSISDBHSA-N 2 2 335.398 3.323 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292310 462460432 /nfs/dbraw/zinc/46/04/32/462460432.db2.gz WDAHPSNKMZNANE-BBRMVZONSA-N 2 2 338.879 3.253 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295797 462461473 /nfs/dbraw/zinc/46/14/73/462461473.db2.gz OOWFRUCZLSRYTN-JXFKEZNVSA-N 2 2 344.499 3.261 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295407 462461532 /nfs/dbraw/zinc/46/15/32/462461532.db2.gz SDUPSNXHDVNJFD-XJKSGUPXSA-N 2 2 337.533 3.479 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658296122 462463011 /nfs/dbraw/zinc/46/30/11/462463011.db2.gz QWKQFIBLMLFPEN-MISYRCLQSA-N 2 2 343.515 3.259 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000649277184 462465643 /nfs/dbraw/zinc/46/56/43/462465643.db2.gz KVNIQCLJNWBOAJ-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649342321 462481992 /nfs/dbraw/zinc/48/19/92/462481992.db2.gz ZTXRRGWJYYBCNA-AWEZNQCLSA-N 2 2 337.895 3.063 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658355470 462488812 /nfs/dbraw/zinc/48/88/12/462488812.db2.gz IVAIWDHEZHJVGB-QFIPXVFZSA-N 3 2 341.543 3.363 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658355470 462488815 /nfs/dbraw/zinc/48/88/15/462488815.db2.gz IVAIWDHEZHJVGB-QFIPXVFZSA-N 3 2 341.543 3.363 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000130692474 533874450 /nfs/dbraw/zinc/87/44/50/533874450.db2.gz CNPJBLUYVYGPFP-HNNXBMFYSA-N 2 2 337.423 3.389 20 0 EGADLP CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154038107 528073424 /nfs/dbraw/zinc/07/34/24/528073424.db2.gz OHFVJFDYWQSALD-SJORKVTESA-N 2 2 326.444 3.047 20 0 EGADLP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154038107 528073430 /nfs/dbraw/zinc/07/34/30/528073430.db2.gz OHFVJFDYWQSALD-SJORKVTESA-N 2 2 326.444 3.047 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cnc21 ZINC000173953649 528660497 /nfs/dbraw/zinc/66/04/97/528660497.db2.gz XESDFYMUCCBMGQ-SFHVURJKSA-N 2 2 329.492 3.318 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cnc21 ZINC000173953649 528660498 /nfs/dbraw/zinc/66/04/98/528660498.db2.gz XESDFYMUCCBMGQ-SFHVURJKSA-N 2 2 329.492 3.318 20 0 EGADLP CC(C)n1ncc2cc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cnc21 ZINC000173953649 528660504 /nfs/dbraw/zinc/66/05/04/528660504.db2.gz XESDFYMUCCBMGQ-SFHVURJKSA-N 2 2 329.492 3.318 20 0 EGADLP CC(C)n1ncc2cc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cnc21 ZINC000173953649 528660508 /nfs/dbraw/zinc/66/05/08/528660508.db2.gz XESDFYMUCCBMGQ-SFHVURJKSA-N 2 2 329.492 3.318 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CCCC1 ZINC000089723449 546647593 /nfs/dbraw/zinc/64/75/93/546647593.db2.gz TVMFNZFZQBXTBT-LPHOPBHVSA-N 2 2 340.471 3.170 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000090169668 546653958 /nfs/dbraw/zinc/65/39/58/546653958.db2.gz GZWMQOJQWBPCFY-LJQANCHMSA-N 2 2 343.515 3.032 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000090169668 546653961 /nfs/dbraw/zinc/65/39/61/546653961.db2.gz GZWMQOJQWBPCFY-LJQANCHMSA-N 2 2 343.515 3.032 20 0 EGADLP C[NH+](Cc1ccsc1)CC1(C[N@H+](C)Cc2ccsc2)COC1 ZINC000119322670 546704879 /nfs/dbraw/zinc/70/48/79/546704879.db2.gz QYNDCROTXGCODM-UHFFFAOYSA-N 2 2 336.526 3.390 20 0 EGADLP C[NH+](Cc1ccsc1)CC1(C[N@@H+](C)Cc2ccsc2)COC1 ZINC000119322670 546704884 /nfs/dbraw/zinc/70/48/84/546704884.db2.gz QYNDCROTXGCODM-UHFFFAOYSA-N 2 2 336.526 3.390 20 0 EGADLP CN(C)c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC000162953214 546969296 /nfs/dbraw/zinc/96/92/96/546969296.db2.gz ZOPHUTFSROCXQV-UHFFFAOYSA-N 2 2 340.471 3.234 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000163723243 546975211 /nfs/dbraw/zinc/97/52/11/546975211.db2.gz KUJOBCPNYVSJOU-IBGZPJMESA-N 2 2 332.488 3.218 20 0 EGADLP CCc1cc(N(CC[NH+](CC)CC)CCC(F)(F)F)nc(C)[nH+]1 ZINC000359723640 547753972 /nfs/dbraw/zinc/75/39/72/547753972.db2.gz CXGGYRWYUGBKEH-UHFFFAOYSA-N 2 2 332.414 3.448 20 0 EGADLP COc1ccc2oc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)cc2c1 ZINC000371251823 547797476 /nfs/dbraw/zinc/79/74/76/547797476.db2.gz QHMHQZLLMYEOOS-UHFFFAOYSA-N 2 2 334.379 3.312 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534543000 548046731 /nfs/dbraw/zinc/04/67/31/548046731.db2.gz DZPSXJFTNMRGPL-LJQANCHMSA-N 2 2 346.434 3.097 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534543000 548046736 /nfs/dbraw/zinc/04/67/36/548046736.db2.gz DZPSXJFTNMRGPL-LJQANCHMSA-N 2 2 346.434 3.097 20 0 EGADLP C[N@H+](CCO)Cc1cc(NCc2c[nH+]c3ccccn23)ccc1Cl ZINC000673608268 548581336 /nfs/dbraw/zinc/58/13/36/548581336.db2.gz UZGXXJOKSDZFID-UHFFFAOYSA-N 2 2 344.846 3.024 20 0 EGADLP C[N@@H+](CCO)Cc1cc(NCc2c[nH+]c3ccccn23)ccc1Cl ZINC000673608268 548581340 /nfs/dbraw/zinc/58/13/40/548581340.db2.gz UZGXXJOKSDZFID-UHFFFAOYSA-N 2 2 344.846 3.024 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](CO)c3ccc(Cl)cc3)n2c1 ZINC000673618096 548582920 /nfs/dbraw/zinc/58/29/20/548582920.db2.gz UCBKRIORUBVRDZ-HNNXBMFYSA-N 2 2 329.831 3.162 20 0 EGADLP CC(C)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000675882840 548997003 /nfs/dbraw/zinc/99/70/03/548997003.db2.gz VBXIEXWZHBTEKM-MAUKXSAKSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)on1 ZINC000675882840 548997006 /nfs/dbraw/zinc/99/70/06/548997006.db2.gz VBXIEXWZHBTEKM-MAUKXSAKSA-N 2 2 328.460 3.193 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678235628 549436435 /nfs/dbraw/zinc/43/64/35/549436435.db2.gz XGQAMTKKGPHRTP-SFHVURJKSA-N 2 2 329.444 3.265 20 0 EGADLP CCOCc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678235628 549436439 /nfs/dbraw/zinc/43/64/39/549436439.db2.gz XGQAMTKKGPHRTP-SFHVURJKSA-N 2 2 329.444 3.265 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000678293650 549463133 /nfs/dbraw/zinc/46/31/33/549463133.db2.gz FVNPEYXEHUONFG-GOSISDBHSA-N 2 2 349.482 3.470 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000678293650 549463135 /nfs/dbraw/zinc/46/31/35/549463135.db2.gz FVNPEYXEHUONFG-GOSISDBHSA-N 2 2 349.482 3.470 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000678586539 549525367 /nfs/dbraw/zinc/52/53/67/549525367.db2.gz IXDYPKDVHIRSKP-HIFRSBDPSA-N 2 2 344.484 3.130 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000678590448 549526567 /nfs/dbraw/zinc/52/65/67/549526567.db2.gz HRAATMBTNBWDMY-RPHTVSPISA-N 2 2 338.495 3.261 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000678590448 549526570 /nfs/dbraw/zinc/52/65/70/549526570.db2.gz HRAATMBTNBWDMY-RPHTVSPISA-N 2 2 338.495 3.261 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000678814145 549567422 /nfs/dbraw/zinc/56/74/22/549567422.db2.gz YFQMLVOTJIZMNA-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1ccccc1C[N@H+]1CCCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000678814145 549567426 /nfs/dbraw/zinc/56/74/26/549567426.db2.gz YFQMLVOTJIZMNA-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679339305 549691657 /nfs/dbraw/zinc/69/16/57/549691657.db2.gz GYLCMQBJDFKXMC-HNNXBMFYSA-N 2 2 328.460 3.044 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)CCCCO)CCOCC1)c1ccccc1 ZINC000679339949 549691682 /nfs/dbraw/zinc/69/16/82/549691682.db2.gz GSANSOCWYJETCX-ZWKOTPCHSA-N 2 2 334.504 3.027 20 0 EGADLP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000679484146 549718055 /nfs/dbraw/zinc/71/80/55/549718055.db2.gz FZBHIJRNTPMXIZ-IBGZPJMESA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC(C)(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000679484146 549718057 /nfs/dbraw/zinc/71/80/57/549718057.db2.gz FZBHIJRNTPMXIZ-IBGZPJMESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545277 549731103 /nfs/dbraw/zinc/73/11/03/549731103.db2.gz JPILKUMZWNBZGA-PVAVHDDUSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545277 549731105 /nfs/dbraw/zinc/73/11/05/549731105.db2.gz JPILKUMZWNBZGA-PVAVHDDUSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679545277 549731108 /nfs/dbraw/zinc/73/11/08/549731108.db2.gz JPILKUMZWNBZGA-PVAVHDDUSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@H](C(F)(F)F)C[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679545277 549731110 /nfs/dbraw/zinc/73/11/10/549731110.db2.gz JPILKUMZWNBZGA-PVAVHDDUSA-N 2 2 344.421 3.142 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462533 549868620 /nfs/dbraw/zinc/86/86/20/549868620.db2.gz OXZPGHOQYQPLMV-MOPGFXCFSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462533 549868621 /nfs/dbraw/zinc/86/86/21/549868621.db2.gz OXZPGHOQYQPLMV-MOPGFXCFSA-N 2 2 326.488 3.373 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000684111811 550292621 /nfs/dbraw/zinc/29/26/21/550292621.db2.gz FMSAVODEZRMQCD-FUHWJXTLSA-N 2 2 335.455 3.422 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413184 550327311 /nfs/dbraw/zinc/32/73/11/550327311.db2.gz SBMQNTFGSZSAEI-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413184 550327313 /nfs/dbraw/zinc/32/73/13/550327313.db2.gz SBMQNTFGSZSAEI-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413184 550327316 /nfs/dbraw/zinc/32/73/16/550327316.db2.gz SBMQNTFGSZSAEI-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC000684413184 550327317 /nfs/dbraw/zinc/32/73/17/550327317.db2.gz SBMQNTFGSZSAEI-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000684667288 550353523 /nfs/dbraw/zinc/35/35/23/550353523.db2.gz YAVKLYBDTSRTRF-IRXDYDNUSA-N 2 2 347.507 3.014 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000684821248 550373123 /nfs/dbraw/zinc/37/31/23/550373123.db2.gz YAQMKNUNUQHBKB-KRWDZBQOSA-N 2 2 338.386 3.077 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000684821248 550373125 /nfs/dbraw/zinc/37/31/25/550373125.db2.gz YAQMKNUNUQHBKB-KRWDZBQOSA-N 2 2 338.386 3.077 20 0 EGADLP CCCOc1cccc2c(N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc[nH+]c12 ZINC000684890241 550381024 /nfs/dbraw/zinc/38/10/24/550381024.db2.gz DTMDXJWIENMPQV-KSSFIOAISA-N 2 2 329.444 3.155 20 0 EGADLP CCCOc1cccc2c(N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc[nH+]c12 ZINC000684890241 550381025 /nfs/dbraw/zinc/38/10/25/550381025.db2.gz DTMDXJWIENMPQV-KSSFIOAISA-N 2 2 329.444 3.155 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1OCc1cccs1 ZINC000729682547 574878449 /nfs/dbraw/zinc/87/84/49/574878449.db2.gz UDMPCTWTAXTPRS-HNNXBMFYSA-N 2 2 332.469 3.129 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1OCc1cccs1 ZINC000729682547 574878451 /nfs/dbraw/zinc/87/84/51/574878451.db2.gz UDMPCTWTAXTPRS-HNNXBMFYSA-N 2 2 332.469 3.129 20 0 EGADLP CCCCn1c(=S)n(C[NH+]2CCCC2)nc1[C@@H](CC)[NH+](C)C ZINC000732408260 575266148 /nfs/dbraw/zinc/26/61/48/575266148.db2.gz CDFDKAQOYXQVER-CQSZACIVSA-N 2 2 325.526 3.280 20 0 EGADLP CC(C)[C@@H](CNc1nc(N2CCCC2)cc[nH+]1)[NH+]1CCC(C)CC1 ZINC000733187536 575318347 /nfs/dbraw/zinc/31/83/47/575318347.db2.gz QGLZAYJTYLUHIZ-QGZVFWFLSA-N 2 2 331.508 3.245 20 0 EGADLP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733794918 575392016 /nfs/dbraw/zinc/39/20/16/575392016.db2.gz HWGZQDXWJFLNIY-RTBURBONSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000733794918 575392021 /nfs/dbraw/zinc/39/20/21/575392021.db2.gz HWGZQDXWJFLNIY-RTBURBONSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000733794918 575392026 /nfs/dbraw/zinc/39/20/26/575392026.db2.gz HWGZQDXWJFLNIY-RTBURBONSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000733794918 575392031 /nfs/dbraw/zinc/39/20/31/575392031.db2.gz HWGZQDXWJFLNIY-RTBURBONSA-N 2 2 337.552 3.269 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCC1(F)F ZINC000685590687 576194189 /nfs/dbraw/zinc/19/41/89/576194189.db2.gz WVXSKZXCVMXEKP-KRWDZBQOSA-N 2 2 337.458 3.176 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCC1(F)F ZINC000685590687 576194194 /nfs/dbraw/zinc/19/41/94/576194194.db2.gz WVXSKZXCVMXEKP-KRWDZBQOSA-N 2 2 337.458 3.176 20 0 EGADLP CCn1cc[nH+]c1CNc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000744449600 576828709 /nfs/dbraw/zinc/82/87/09/576828709.db2.gz KVHYFAFUOGAYBM-MRXNPFEDSA-N 2 2 328.460 3.236 20 0 EGADLP CCn1cc[nH+]c1CNc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000744449600 576828710 /nfs/dbraw/zinc/82/87/10/576828710.db2.gz KVHYFAFUOGAYBM-MRXNPFEDSA-N 2 2 328.460 3.236 20 0 EGADLP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)n1cc[nH+]c1 ZINC000053359825 1291721560 /nfs/dbraw/zinc/72/15/60/1291721560.db2.gz MAQPNMDIZNUFEG-DLBZAZTESA-N 2 2 340.471 3.135 20 0 EGADLP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)n1cc[nH+]c1 ZINC000053359825 1291721565 /nfs/dbraw/zinc/72/15/65/1291721565.db2.gz MAQPNMDIZNUFEG-DLBZAZTESA-N 2 2 340.471 3.135 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000066876483 1292132177 /nfs/dbraw/zinc/13/21/77/1292132177.db2.gz RNYURMJYJIJATQ-UHFFFAOYSA-N 2 2 333.395 3.454 20 0 EGADLP Fc1ccc(F)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000069747721 1292248971 /nfs/dbraw/zinc/24/89/71/1292248971.db2.gz DDBOZESVQCDJAJ-UHFFFAOYSA-N 2 2 332.394 3.087 20 0 EGADLP CN(CCC#N)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000077402182 1292462075 /nfs/dbraw/zinc/46/20/75/1292462075.db2.gz OBSNUGRDXBLHOH-IBGZPJMESA-N 2 2 339.487 3.437 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078876559 1292531538 /nfs/dbraw/zinc/53/15/38/1292531538.db2.gz SLLCXAASUCLUNK-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000080338713 1292596219 /nfs/dbraw/zinc/59/62/19/1292596219.db2.gz AWYWULMMINLYOU-NVXWUHKLSA-N 2 2 344.528 3.352 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000080338713 1292596224 /nfs/dbraw/zinc/59/62/24/1292596224.db2.gz AWYWULMMINLYOU-NVXWUHKLSA-N 2 2 344.528 3.352 20 0 EGADLP CCC(=O)N1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000089154924 1292758972 /nfs/dbraw/zinc/75/89/72/1292758972.db2.gz CTWLHPSSLIXNQL-MRXNPFEDSA-N 2 2 331.504 3.106 20 0 EGADLP C[C@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000114509054 1293166360 /nfs/dbraw/zinc/16/63/60/1293166360.db2.gz YRTMZYBHTVRVQB-IBGZPJMESA-N 2 2 343.377 3.148 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119452908 1293270962 /nfs/dbraw/zinc/27/09/62/1293270962.db2.gz IRUYVNRWRPGUFO-UHFFFAOYSA-N 2 2 328.859 3.458 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119632936 1293280925 /nfs/dbraw/zinc/28/09/25/1293280925.db2.gz LLMSKFAQBUYZRQ-QZTJIDSGSA-N 2 2 340.870 3.337 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC(C)(C)CO)CC2)cc1 ZINC000163235864 1294330349 /nfs/dbraw/zinc/33/03/49/1294330349.db2.gz HFKVRQIZQUAJTM-UHFFFAOYSA-N 2 2 333.520 3.110 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167070011 1294364764 /nfs/dbraw/zinc/36/47/64/1294364764.db2.gz JDRZSSBTRVFZOF-DLBZAZTESA-N 2 2 339.524 3.191 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167070011 1294364769 /nfs/dbraw/zinc/36/47/69/1294364769.db2.gz JDRZSSBTRVFZOF-DLBZAZTESA-N 2 2 339.524 3.191 20 0 EGADLP CCOC(C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OCC ZINC000184976747 1295232172 /nfs/dbraw/zinc/23/21/72/1295232172.db2.gz OFYIJRDPXXUNKE-UHFFFAOYSA-N 2 2 335.492 3.019 20 0 EGADLP CCOC(C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)OCC ZINC000184976747 1295232174 /nfs/dbraw/zinc/23/21/74/1295232174.db2.gz OFYIJRDPXXUNKE-UHFFFAOYSA-N 2 2 335.492 3.019 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCCN1C(=O)OC(C)(C)C ZINC000189517631 1295527935 /nfs/dbraw/zinc/52/79/35/1295527935.db2.gz IJJQGMWRPIMDAA-GDBMZVCRSA-N 2 2 348.491 3.025 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000192175755 1295741273 /nfs/dbraw/zinc/74/12/73/1295741273.db2.gz LENBHXNTKBFHSC-SFHVURJKSA-N 2 2 341.455 3.156 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000192175755 1295741277 /nfs/dbraw/zinc/74/12/77/1295741277.db2.gz LENBHXNTKBFHSC-SFHVURJKSA-N 2 2 341.455 3.156 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(Br)c3)C[C@H]21 ZINC000228475202 1296152583 /nfs/dbraw/zinc/15/25/83/1296152583.db2.gz KLPYSQSHAQOUMX-LALPHHSUSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(Br)c3)C[C@H]21 ZINC000228475202 1296152586 /nfs/dbraw/zinc/15/25/86/1296152586.db2.gz KLPYSQSHAQOUMX-LALPHHSUSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303032163 1296813134 /nfs/dbraw/zinc/81/31/34/1296813134.db2.gz ALWSYLWFDLELDQ-AUUYWEPGSA-N 2 2 325.387 3.396 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000305113256 1296980298 /nfs/dbraw/zinc/98/02/98/1296980298.db2.gz DSQOIYUJYIZAHR-QZTJIDSGSA-N 2 2 340.870 3.337 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000309909264 1297077757 /nfs/dbraw/zinc/07/77/57/1297077757.db2.gz VIMIRPBNPNUHAX-IKGGRYGDSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000310303932 1297093580 /nfs/dbraw/zinc/09/35/80/1297093580.db2.gz UZYCJJAZAOGZLV-OAQYLSRUSA-N 3 2 327.516 3.115 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310303932 1297093596 /nfs/dbraw/zinc/09/35/96/1297093596.db2.gz UZYCJJAZAOGZLV-OAQYLSRUSA-N 3 2 327.516 3.115 20 0 EGADLP Clc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1Br ZINC000873109058 1297275093 /nfs/dbraw/zinc/27/50/93/1297275093.db2.gz CSUIBZOHIVTGCZ-LLVKDONJSA-N 2 2 340.652 3.404 20 0 EGADLP Clc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1Br ZINC000873109059 1297275173 /nfs/dbraw/zinc/27/51/73/1297275173.db2.gz CSUIBZOHIVTGCZ-NSHDSACASA-N 2 2 340.652 3.404 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478304 1297427185 /nfs/dbraw/zinc/42/71/85/1297427185.db2.gz XTAFHJLEYWCMDS-IAQYHMDHSA-N 2 2 345.256 3.169 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478304 1297427190 /nfs/dbraw/zinc/42/71/90/1297427190.db2.gz XTAFHJLEYWCMDS-IAQYHMDHSA-N 2 2 345.256 3.169 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378905457 1297528103 /nfs/dbraw/zinc/52/81/03/1297528103.db2.gz YWUDGZOCFVEHHT-SJORKVTESA-N 2 2 328.481 3.368 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378905457 1297528109 /nfs/dbraw/zinc/52/81/09/1297528109.db2.gz YWUDGZOCFVEHHT-SJORKVTESA-N 2 2 328.481 3.368 20 0 EGADLP COCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000394400645 1297676855 /nfs/dbraw/zinc/67/68/55/1297676855.db2.gz BKUATINRQLXCFJ-GOSISDBHSA-N 2 2 328.456 3.428 20 0 EGADLP COCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000394400645 1297676867 /nfs/dbraw/zinc/67/68/67/1297676867.db2.gz BKUATINRQLXCFJ-GOSISDBHSA-N 2 2 328.456 3.428 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562589 1297821731 /nfs/dbraw/zinc/82/17/31/1297821731.db2.gz RWHSIBKRPXJMAQ-IUODEOHRSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562589 1297821745 /nfs/dbraw/zinc/82/17/45/1297821745.db2.gz RWHSIBKRPXJMAQ-IUODEOHRSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139910 1298141212 /nfs/dbraw/zinc/14/12/12/1298141212.db2.gz HJVYGQIZZMFLPH-JKSUJKDBSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139910 1298141217 /nfs/dbraw/zinc/14/12/17/1298141217.db2.gz HJVYGQIZZMFLPH-JKSUJKDBSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693877439 1298152806 /nfs/dbraw/zinc/15/28/06/1298152806.db2.gz KUCSEFATVRSOFE-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693877439 1298152810 /nfs/dbraw/zinc/15/28/10/1298152810.db2.gz KUCSEFATVRSOFE-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724031563 1298345282 /nfs/dbraw/zinc/34/52/82/1298345282.db2.gz YNSXUDUEYLNFIU-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP CCCCC[C@H](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000742669734 1298410094 /nfs/dbraw/zinc/41/00/94/1298410094.db2.gz AHAPUSOSMUEURY-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP CCCCC[C@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000742669734 1298410099 /nfs/dbraw/zinc/41/00/99/1298410099.db2.gz AHAPUSOSMUEURY-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746650534 1298631719 /nfs/dbraw/zinc/63/17/19/1298631719.db2.gz AIMIHSBVBRCIQB-TZMCWYRMSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746650534 1298631728 /nfs/dbraw/zinc/63/17/28/1298631728.db2.gz AIMIHSBVBRCIQB-TZMCWYRMSA-N 2 2 331.287 3.443 20 0 EGADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000876988295 1299102531 /nfs/dbraw/zinc/10/25/31/1299102531.db2.gz BIOYRTLGFNCFMJ-INIZCTEOSA-N 2 2 330.863 3.132 20 0 EGADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000876988295 1299102539 /nfs/dbraw/zinc/10/25/39/1299102539.db2.gz BIOYRTLGFNCFMJ-INIZCTEOSA-N 2 2 330.863 3.132 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755206771 1300298684 /nfs/dbraw/zinc/29/86/84/1300298684.db2.gz MTBIMSGDQNMNMA-MOPGFXCFSA-N 2 2 335.536 3.138 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755206771 1300298693 /nfs/dbraw/zinc/29/86/93/1300298693.db2.gz MTBIMSGDQNMNMA-MOPGFXCFSA-N 2 2 335.536 3.138 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cn1 ZINC000756102979 1300439828 /nfs/dbraw/zinc/43/98/28/1300439828.db2.gz UJSIAXHUAXNUBO-UHFFFAOYSA-N 2 2 345.447 3.195 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc(=O)oc2c1 ZINC000880474661 1301136669 /nfs/dbraw/zinc/13/66/69/1301136669.db2.gz JUNCNGUYZDHAHG-UHFFFAOYSA-N 2 2 340.467 3.416 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570770 1301165714 /nfs/dbraw/zinc/16/57/14/1301165714.db2.gz YMRHFBZJXSBSLF-KRWDZBQOSA-N 2 2 329.444 3.336 20 0 EGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000760844850 1301350423 /nfs/dbraw/zinc/35/04/23/1301350423.db2.gz NQFGRGAQVUILJY-BRWVUGGUSA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000760844850 1301350435 /nfs/dbraw/zinc/35/04/35/1301350435.db2.gz NQFGRGAQVUILJY-BRWVUGGUSA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCCCCC1 ZINC000882872619 1302139209 /nfs/dbraw/zinc/13/92/09/1302139209.db2.gz IYUSWUSNGVMJNK-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000882950127 1302179529 /nfs/dbraw/zinc/17/95/29/1302179529.db2.gz WSELGBIWUHCSDF-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000765256839 1302231322 /nfs/dbraw/zinc/23/13/22/1302231322.db2.gz YGGFMXMJGYAPQX-YJBOKZPZSA-N 2 2 338.459 3.229 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765795303 1302330627 /nfs/dbraw/zinc/33/06/27/1302330627.db2.gz AVNIPPQZQZSCFI-XEZPLFJOSA-N 2 2 338.904 3.330 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765795303 1302330635 /nfs/dbraw/zinc/33/06/35/1302330635.db2.gz AVNIPPQZQZSCFI-XEZPLFJOSA-N 2 2 338.904 3.330 20 0 EGADLP c1cn(C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)c2ccccc2)c[nH+]1 ZINC000883386459 1302425717 /nfs/dbraw/zinc/42/57/17/1302425717.db2.gz GLPYMNQOYQPHMT-HXUWFJFHSA-N 2 2 347.466 3.278 20 0 EGADLP C[NH+](C)CCCC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000766380478 1302440079 /nfs/dbraw/zinc/44/00/79/1302440079.db2.gz GETCMORUEHGYQJ-UHFFFAOYSA-N 2 2 333.501 3.074 20 0 EGADLP C[C@@H](Cc1ccncc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766487104 1302460255 /nfs/dbraw/zinc/46/02/55/1302460255.db2.gz CNRXNALPYJIXKU-KRWDZBQOSA-N 2 2 338.499 3.337 20 0 EGADLP CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000766530003 1302468903 /nfs/dbraw/zinc/46/89/03/1302468903.db2.gz SBASLMABEXJXFZ-OALUTQOASA-N 2 2 331.504 3.125 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768224248 1302857921 /nfs/dbraw/zinc/85/79/21/1302857921.db2.gz QNHZYFAJKPVKHS-MRXNPFEDSA-N 2 2 341.540 3.344 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768224248 1302857930 /nfs/dbraw/zinc/85/79/30/1302857930.db2.gz QNHZYFAJKPVKHS-MRXNPFEDSA-N 2 2 341.540 3.344 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000769685745 1303157644 /nfs/dbraw/zinc/15/76/44/1303157644.db2.gz SXGBSMOKOVLVGR-OWCLPIDISA-N 2 2 327.513 3.142 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000770025570 1303209290 /nfs/dbraw/zinc/20/92/90/1303209290.db2.gz OIFMBWFITYQBQC-OAHLLOKOSA-N 2 2 337.427 3.158 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000770025570 1303209294 /nfs/dbraw/zinc/20/92/94/1303209294.db2.gz OIFMBWFITYQBQC-OAHLLOKOSA-N 2 2 337.427 3.158 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Cl)cn3)[nH+]c2)CC1 ZINC000886024975 1303322855 /nfs/dbraw/zinc/32/28/55/1303322855.db2.gz BCNSZLUTQRKUTH-UHFFFAOYSA-N 2 2 345.878 3.273 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615445 1303525292 /nfs/dbraw/zinc/52/52/92/1303525292.db2.gz GLOBHDPYYXELHW-KXBFYZLASA-N 2 2 345.462 3.121 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615445 1303525295 /nfs/dbraw/zinc/52/52/95/1303525295.db2.gz GLOBHDPYYXELHW-KXBFYZLASA-N 2 2 345.462 3.121 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)CCCO)CC2)cc1 ZINC000772482890 1303538437 /nfs/dbraw/zinc/53/84/37/1303538437.db2.gz RGWUPKPJOCEIPO-UHFFFAOYSA-N 2 2 333.520 3.110 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)ccn12 ZINC000888283028 1304098573 /nfs/dbraw/zinc/09/85/73/1304098573.db2.gz HDMIOPNEIOTZJM-SFHVURJKSA-N 2 2 346.434 3.268 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)ccn12 ZINC000888283028 1304098581 /nfs/dbraw/zinc/09/85/81/1304098581.db2.gz HDMIOPNEIOTZJM-SFHVURJKSA-N 2 2 346.434 3.268 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000888576473 1304202510 /nfs/dbraw/zinc/20/25/10/1304202510.db2.gz YWXCDRPXJRULOC-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000888576473 1304202515 /nfs/dbraw/zinc/20/25/15/1304202515.db2.gz YWXCDRPXJRULOC-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C1CCOCC1 ZINC000777097023 1304248975 /nfs/dbraw/zinc/24/89/75/1304248975.db2.gz RJYDUMKNLZBVCP-MRXNPFEDSA-N 2 2 347.503 3.064 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccnc(Cl)c1 ZINC000777258825 1304277079 /nfs/dbraw/zinc/27/70/79/1304277079.db2.gz MRSIIPDUDXOOEI-CJNGLKHVSA-N 2 2 345.878 3.443 20 0 EGADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1F ZINC000783031660 1305038877 /nfs/dbraw/zinc/03/88/77/1305038877.db2.gz UNUBHLUZAYOOIU-IBGZPJMESA-N 2 2 331.435 3.248 20 0 EGADLP Cc1ccc([C@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000783031464 1305039133 /nfs/dbraw/zinc/03/91/33/1305039133.db2.gz SNWKUPKPFIAEKP-HXUWFJFHSA-N 2 2 327.472 3.417 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000892453244 1305381871 /nfs/dbraw/zinc/38/18/71/1305381871.db2.gz FMDDMENXPYSIOM-UHFFFAOYSA-N 2 2 325.478 3.279 20 0 EGADLP Cn1ncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1C1CC1 ZINC000892524148 1305423663 /nfs/dbraw/zinc/42/36/63/1305423663.db2.gz IGGFJLMQGLILLS-UHFFFAOYSA-N 2 2 338.499 3.094 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH+](C)C ZINC000785854355 1305454034 /nfs/dbraw/zinc/45/40/34/1305454034.db2.gz DPUCQBLGNHBISF-KXBFYZLASA-N 2 2 336.439 3.064 20 0 EGADLP FC(F)(F)Cc1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)s1 ZINC000892679864 1305504740 /nfs/dbraw/zinc/50/47/40/1305504740.db2.gz SERFJUKGJYAGRD-UHFFFAOYSA-N 2 2 333.423 3.354 20 0 EGADLP COCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893489565 1305922732 /nfs/dbraw/zinc/92/27/32/1305922732.db2.gz ZDZGYJZDJRHESJ-CVEARBPZSA-N 2 2 336.476 3.047 20 0 EGADLP COCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893489565 1305922741 /nfs/dbraw/zinc/92/27/41/1305922741.db2.gz ZDZGYJZDJRHESJ-CVEARBPZSA-N 2 2 336.476 3.047 20 0 EGADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](O)c1ccccc1 ZINC000788620749 1305984149 /nfs/dbraw/zinc/98/41/49/1305984149.db2.gz JSNNTDQTZAMKTH-LEWJYISDSA-N 2 2 339.483 3.398 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c[nH+]1 ZINC000895957855 1309611569 /nfs/dbraw/zinc/61/15/69/1309611569.db2.gz KJIFKALVMQMPDI-UHFFFAOYSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1-n1cncn1 ZINC000896194465 1309739372 /nfs/dbraw/zinc/73/93/72/1309739372.db2.gz ALYIOPZSCFJBKC-UHFFFAOYSA-N 2 2 348.454 3.047 20 0 EGADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000896320662 1309804046 /nfs/dbraw/zinc/80/40/46/1309804046.db2.gz BJTHAJVYQWSCLO-SFHVURJKSA-N 2 2 338.411 3.021 20 0 EGADLP Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000797059740 1310135305 /nfs/dbraw/zinc/13/53/05/1310135305.db2.gz KVEQGEWHCZQMDE-OXQOHEQNSA-N 2 2 325.456 3.071 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCc3cccs3)C2)c(C)[nH+]1 ZINC001019171749 1317086527 /nfs/dbraw/zinc/08/65/27/1317086527.db2.gz NQDNRWPFNQFGBX-INIZCTEOSA-N 2 2 343.496 3.115 20 0 EGADLP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000900000187 1317215971 /nfs/dbraw/zinc/21/59/71/1317215971.db2.gz CXYUEQOHSFYTSG-WMLDXEAASA-N 2 2 344.459 3.005 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC001019562184 1317291987 /nfs/dbraw/zinc/29/19/87/1317291987.db2.gz OXVLJIUXCOVPFJ-RDJZCZTQSA-N 2 2 348.450 3.057 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+]CCC4CCCC4)C3)ccn12 ZINC001020153377 1317565889 /nfs/dbraw/zinc/56/58/89/1317565889.db2.gz HEOAYCGPBJOIHQ-IYARVYRRSA-N 2 2 340.471 3.073 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902786905 1317616170 /nfs/dbraw/zinc/61/61/70/1317616170.db2.gz UUQLZCJPFUOKOA-ZDUSSCGKSA-N 2 2 345.409 3.252 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812906 1317736584 /nfs/dbraw/zinc/73/65/84/1317736584.db2.gz AMBUZYMIXAGZFP-SFHVURJKSA-N 2 2 343.515 3.479 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812906 1317736588 /nfs/dbraw/zinc/73/65/88/1317736588.db2.gz AMBUZYMIXAGZFP-SFHVURJKSA-N 2 2 343.515 3.479 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc(F)cc3)no2)CCC1 ZINC000903815909 1317737940 /nfs/dbraw/zinc/73/79/40/1317737940.db2.gz URSGWWCNWFSNIP-MRXNPFEDSA-N 2 2 344.434 3.359 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nc(-c3ccc(F)cc3)no2)CCC1 ZINC000903815909 1317737947 /nfs/dbraw/zinc/73/79/47/1317737947.db2.gz URSGWWCNWFSNIP-MRXNPFEDSA-N 2 2 344.434 3.359 20 0 EGADLP COc1ccc(C[N@H+](CCc2ccccn2)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903915492 1317747446 /nfs/dbraw/zinc/74/74/46/1317747446.db2.gz ZSJQFSFFSXHSIJ-MRXNPFEDSA-N 2 2 349.425 3.117 20 0 EGADLP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903915492 1317747450 /nfs/dbraw/zinc/74/74/50/1317747450.db2.gz ZSJQFSFFSXHSIJ-MRXNPFEDSA-N 2 2 349.425 3.117 20 0 EGADLP Fc1ccc([C@H]2CCCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903909869 1317747645 /nfs/dbraw/zinc/74/76/45/1317747645.db2.gz HKLKDOMYKBVPKR-IEBWSBKVSA-N 2 2 343.450 3.069 20 0 EGADLP Fc1ccc([C@H]2CCCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903909869 1317747652 /nfs/dbraw/zinc/74/76/52/1317747652.db2.gz HKLKDOMYKBVPKR-IEBWSBKVSA-N 2 2 343.450 3.069 20 0 EGADLP C[N@H+](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)CC(C)(C)C ZINC000903983722 1317761954 /nfs/dbraw/zinc/76/19/54/1317761954.db2.gz OXWGVEFIYIMLHX-UHFFFAOYSA-N 2 2 339.443 3.459 20 0 EGADLP C[N@@H+](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)CC(C)(C)C ZINC000903983722 1317761960 /nfs/dbraw/zinc/76/19/60/1317761960.db2.gz OXWGVEFIYIMLHX-UHFFFAOYSA-N 2 2 339.443 3.459 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001020571393 1317782463 /nfs/dbraw/zinc/78/24/63/1317782463.db2.gz MCPADDNOOIARBQ-ULQDDVLXSA-N 2 2 344.503 3.037 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000904326795 1317831640 /nfs/dbraw/zinc/83/16/40/1317831640.db2.gz SKZIVBDMNHIDLB-FUHWJXTLSA-N 2 2 326.525 3.190 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000809622531 1317847540 /nfs/dbraw/zinc/84/75/40/1317847540.db2.gz JGTIQUYEBRMURJ-CJNGLKHVSA-N 2 2 342.468 3.004 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@](C)(O)C(F)F)CCCC1)c1ccccc1 ZINC000905113042 1317925480 /nfs/dbraw/zinc/92/54/80/1317925480.db2.gz CBHBOMWCKSNVML-WMLDXEAASA-N 2 2 326.431 3.256 20 0 EGADLP Cc1nnc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC000810159089 1317965299 /nfs/dbraw/zinc/96/52/99/1317965299.db2.gz CTZLGNWIUOYSLM-INIZCTEOSA-N 2 2 330.501 3.032 20 0 EGADLP Cc1nnc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)s1 ZINC000810159089 1317965307 /nfs/dbraw/zinc/96/53/07/1317965307.db2.gz CTZLGNWIUOYSLM-INIZCTEOSA-N 2 2 330.501 3.032 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000960081065 1318343253 /nfs/dbraw/zinc/34/32/53/1318343253.db2.gz GSVHHXDNYUGSQE-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644221 1318501643 /nfs/dbraw/zinc/50/16/43/1318501643.db2.gz FIYDBYPYJYVLDC-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644221 1318501650 /nfs/dbraw/zinc/50/16/50/1318501650.db2.gz FIYDBYPYJYVLDC-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000813786239 1318631753 /nfs/dbraw/zinc/63/17/53/1318631753.db2.gz LVXGFIXGVGCIAP-HNNXBMFYSA-N 2 2 348.922 3.489 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001022424370 1318935358 /nfs/dbraw/zinc/93/53/58/1318935358.db2.gz ZVUBYBDJJIHIIB-NXHRZFHOSA-N 2 2 348.450 3.254 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926282 1319463128 /nfs/dbraw/zinc/46/31/28/1319463128.db2.gz DKERPPBYMGKOQK-GYSYKLTISA-N 2 2 345.270 3.174 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960665 1319478643 /nfs/dbraw/zinc/47/86/43/1319478643.db2.gz OZRUYOYRGLEMAM-DNVCBOLYSA-N 3 2 331.504 3.069 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370896 1319484144 /nfs/dbraw/zinc/48/41/44/1319484144.db2.gz QPJSDKIPGNDMTD-QGZVFWFLSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370896 1319484147 /nfs/dbraw/zinc/48/41/47/1319484147.db2.gz QPJSDKIPGNDMTD-QGZVFWFLSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@@H+](CCC(C)C)C3)ccn12 ZINC001023371405 1319484443 /nfs/dbraw/zinc/48/44/43/1319484443.db2.gz YVQKDBLSGOQZHM-QGZVFWFLSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@H+](CCC(C)C)C3)ccn12 ZINC001023371405 1319484449 /nfs/dbraw/zinc/48/44/49/1319484449.db2.gz YVQKDBLSGOQZHM-QGZVFWFLSA-N 2 2 342.487 3.131 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000917416186 1319804415 /nfs/dbraw/zinc/80/44/15/1319804415.db2.gz SDQKUAHLFWXPHZ-AWEZNQCLSA-N 2 2 331.287 3.272 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000917416186 1319804434 /nfs/dbraw/zinc/80/44/34/1319804434.db2.gz SDQKUAHLFWXPHZ-AWEZNQCLSA-N 2 2 331.287 3.272 20 0 EGADLP C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000820813156 1319958368 /nfs/dbraw/zinc/95/83/68/1319958368.db2.gz ZNKCEULIJPXMJI-KXBFYZLASA-N 2 2 348.450 3.299 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c[nH+]1 ZINC000838507469 1320786108 /nfs/dbraw/zinc/78/61/08/1320786108.db2.gz MJVXBDDTTFOYAC-UHFFFAOYSA-N 2 2 344.503 3.295 20 0 EGADLP CCn1ncc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000838901887 1320830696 /nfs/dbraw/zinc/83/06/96/1320830696.db2.gz UWAXIUYCAXMXHV-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP CCn1ncc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000838901887 1320830701 /nfs/dbraw/zinc/83/07/01/1320830701.db2.gz UWAXIUYCAXMXHV-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP CCSc1ccccc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930673030 1328933751 /nfs/dbraw/zinc/93/37/51/1328933751.db2.gz GDUBGJSQYBTYOH-UHFFFAOYSA-N 2 2 334.529 3.125 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876096 1321167140 /nfs/dbraw/zinc/16/71/40/1321167140.db2.gz KIVZCSKCRQWURU-OLZOCXBDSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876096 1321167143 /nfs/dbraw/zinc/16/71/43/1321167143.db2.gz KIVZCSKCRQWURU-OLZOCXBDSA-N 2 2 342.270 3.148 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000841849537 1321322718 /nfs/dbraw/zinc/32/27/18/1321322718.db2.gz ZQZKQTBGBWHFMJ-UHFFFAOYSA-N 2 2 327.476 3.046 20 0 EGADLP CCc1cc2oc(=O)cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c2cc1Cl ZINC000842475529 1321393636 /nfs/dbraw/zinc/39/36/36/1321393636.db2.gz RUDQDVIWIZNEPU-MRXNPFEDSA-N 2 2 336.863 3.472 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c2cc1Cl ZINC000842479080 1321394273 /nfs/dbraw/zinc/39/42/73/1321394273.db2.gz UQKSXYNJKRCTPC-IUODEOHRSA-N 2 2 348.874 3.426 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c2cc1Cl ZINC000842479080 1321394276 /nfs/dbraw/zinc/39/42/76/1321394276.db2.gz UQKSXYNJKRCTPC-IUODEOHRSA-N 2 2 348.874 3.426 20 0 EGADLP Clc1ncc(Br)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000842667485 1321415262 /nfs/dbraw/zinc/41/52/62/1321415262.db2.gz ALLDLGDHAWKLKE-UHFFFAOYSA-N 2 2 343.656 3.264 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000842668872 1321415359 /nfs/dbraw/zinc/41/53/59/1321415359.db2.gz MMUSYMKHINXHNU-UHFFFAOYSA-N 2 2 340.515 3.336 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843051973 1321462083 /nfs/dbraw/zinc/46/20/83/1321462083.db2.gz NPPAIEBURBNICP-DZGCQCFKSA-N 2 2 332.879 3.393 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843051973 1321462084 /nfs/dbraw/zinc/46/20/84/1321462084.db2.gz NPPAIEBURBNICP-DZGCQCFKSA-N 2 2 332.879 3.393 20 0 EGADLP Cc1ccc(-n2c(Cl)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])nc2N(C)C)cc1 ZINC000843126909 1321474022 /nfs/dbraw/zinc/47/40/22/1321474022.db2.gz BAKDFNHLMAZYSC-UONOGXRCSA-N 2 2 349.910 3.116 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3(Br)CC3)C2)CC1 ZINC000846787864 1321808365 /nfs/dbraw/zinc/80/83/65/1321808365.db2.gz FWVGHZJVYSEWPL-HNNXBMFYSA-N 2 2 329.326 3.358 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(Br)CC3)C2)CC1 ZINC000846787864 1321808369 /nfs/dbraw/zinc/80/83/69/1321808369.db2.gz FWVGHZJVYSEWPL-HNNXBMFYSA-N 2 2 329.326 3.358 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568983 1321978200 /nfs/dbraw/zinc/97/82/00/1321978200.db2.gz ULPLKXROHKWPJM-IPELMVKDSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568983 1321978205 /nfs/dbraw/zinc/97/82/05/1321978205.db2.gz ULPLKXROHKWPJM-IPELMVKDSA-N 2 2 343.471 3.311 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)[nH+]c1C ZINC000921659485 1322372862 /nfs/dbraw/zinc/37/28/62/1322372862.db2.gz DUHLRJGZHWUSJT-UHFFFAOYSA-N 2 2 326.444 3.364 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC000923489745 1322760780 /nfs/dbraw/zinc/76/07/80/1322760780.db2.gz KLVYNLSYRIPSDK-ZJUUUORDSA-N 2 2 333.220 3.144 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC000923489745 1322760784 /nfs/dbraw/zinc/76/07/84/1322760784.db2.gz KLVYNLSYRIPSDK-ZJUUUORDSA-N 2 2 333.220 3.144 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924715509 1323129822 /nfs/dbraw/zinc/12/98/22/1323129822.db2.gz VNMKVPYPGHZKRS-RTBURBONSA-N 2 2 335.536 3.020 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000924715509 1323129829 /nfs/dbraw/zinc/12/98/29/1323129829.db2.gz VNMKVPYPGHZKRS-RTBURBONSA-N 2 2 335.536 3.020 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105405 1323147714 /nfs/dbraw/zinc/14/77/14/1323147714.db2.gz JRVHUWSLKOWZIA-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105405 1323147715 /nfs/dbraw/zinc/14/77/15/1323147715.db2.gz JRVHUWSLKOWZIA-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105405 1323147718 /nfs/dbraw/zinc/14/77/18/1323147718.db2.gz JRVHUWSLKOWZIA-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105405 1323147721 /nfs/dbraw/zinc/14/77/21/1323147721.db2.gz JRVHUWSLKOWZIA-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924778312 1323159186 /nfs/dbraw/zinc/15/91/86/1323159186.db2.gz VUJNMQCVAFSLKQ-WMZOPIPTSA-N 2 2 331.435 3.432 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000924851867 1323188430 /nfs/dbraw/zinc/18/84/30/1323188430.db2.gz SFCVCOAUAVQXSH-QINHECLXSA-N 2 2 349.494 3.101 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000924928719 1323217488 /nfs/dbraw/zinc/21/74/88/1323217488.db2.gz YOUCFKVWHKIDNE-ROUUACIJSA-N 2 2 327.476 3.008 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1F ZINC000852744516 1323234094 /nfs/dbraw/zinc/23/40/94/1323234094.db2.gz CKTVJWTVLADPBO-FQEVSTJZSA-N 2 2 344.405 3.184 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1F ZINC000852744516 1323234099 /nfs/dbraw/zinc/23/40/99/1323234099.db2.gz CKTVJWTVLADPBO-FQEVSTJZSA-N 2 2 344.405 3.184 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244225 1324041288 /nfs/dbraw/zinc/04/12/88/1324041288.db2.gz UEUIZKMIQFYFIB-ROUUACIJSA-N 2 2 346.519 3.182 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244225 1324041292 /nfs/dbraw/zinc/04/12/92/1324041292.db2.gz UEUIZKMIQFYFIB-ROUUACIJSA-N 2 2 346.519 3.182 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274350 1324091446 /nfs/dbraw/zinc/09/14/46/1324091446.db2.gz XAWPJHHPLLKPLJ-OALUTQOASA-N 2 2 346.519 3.234 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274350 1324091451 /nfs/dbraw/zinc/09/14/51/1324091451.db2.gz XAWPJHHPLLKPLJ-OALUTQOASA-N 2 2 346.519 3.234 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303691 1324137932 /nfs/dbraw/zinc/13/79/32/1324137932.db2.gz JERQZDCPKYIFCV-RBUKOAKNSA-N 2 2 346.519 3.165 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303691 1324137936 /nfs/dbraw/zinc/13/79/36/1324137936.db2.gz JERQZDCPKYIFCV-RBUKOAKNSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459352 1324303254 /nfs/dbraw/zinc/30/32/54/1324303254.db2.gz MHMLAZXFOBIIOD-JKSUJKDBSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459352 1324303262 /nfs/dbraw/zinc/30/32/62/1324303262.db2.gz MHMLAZXFOBIIOD-JKSUJKDBSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491633 1324341493 /nfs/dbraw/zinc/34/14/93/1324341493.db2.gz XBLLVDSGEQSVNA-SJORKVTESA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491633 1324341498 /nfs/dbraw/zinc/34/14/98/1324341498.db2.gz XBLLVDSGEQSVNA-SJORKVTESA-N 2 2 342.487 3.211 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001026583416 1324910442 /nfs/dbraw/zinc/91/04/42/1324910442.db2.gz VSUCOFQDTYDFHW-FAEJEUNOSA-N 2 2 340.471 3.039 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026583538 1324910993 /nfs/dbraw/zinc/91/09/93/1324910993.db2.gz XPENIJJIBVNIJW-UHFFFAOYSA-N 2 2 346.519 3.330 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cn(C)cn1 ZINC000925134909 1325059062 /nfs/dbraw/zinc/05/90/62/1325059062.db2.gz UEWIUFSPYIHVOG-MRXNPFEDSA-N 2 2 338.455 3.496 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn(C)cn1 ZINC000925134909 1325059066 /nfs/dbraw/zinc/05/90/66/1325059066.db2.gz UEWIUFSPYIHVOG-MRXNPFEDSA-N 2 2 338.455 3.496 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000925394338 1325140500 /nfs/dbraw/zinc/14/05/00/1325140500.db2.gz WDTCGYALPXEESS-SFHVURJKSA-N 2 2 347.478 3.031 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374649 1325180420 /nfs/dbraw/zinc/18/04/20/1325180420.db2.gz RBOMEEVACCBTAX-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374649 1325180423 /nfs/dbraw/zinc/18/04/23/1325180423.db2.gz RBOMEEVACCBTAX-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000925561214 1325209715 /nfs/dbraw/zinc/20/97/15/1325209715.db2.gz PZFXPSITASWYMI-LIRRHRJNSA-N 2 2 341.430 3.308 20 0 EGADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925626271 1325236234 /nfs/dbraw/zinc/23/62/34/1325236234.db2.gz PDXQGCUHSILJCX-GVDBMIGSSA-N 2 2 337.870 3.099 20 0 EGADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925626271 1325236240 /nfs/dbraw/zinc/23/62/40/1325236240.db2.gz PDXQGCUHSILJCX-GVDBMIGSSA-N 2 2 337.870 3.099 20 0 EGADLP FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925643251 1325245136 /nfs/dbraw/zinc/24/51/36/1325245136.db2.gz JSGAAKHJYMSOCZ-CZUORRHYSA-N 2 2 339.405 3.158 20 0 EGADLP CC(C)(C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)c1c[nH+]c[nH]1 ZINC001027172627 1325271469 /nfs/dbraw/zinc/27/14/69/1325271469.db2.gz ZKRPGQXUUGUZTN-QGZVFWFLSA-N 2 2 346.519 3.096 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792767 1325301604 /nfs/dbraw/zinc/30/16/04/1325301604.db2.gz PYZOYZKZKOMLAR-DLBZAZTESA-N 2 2 332.488 3.121 20 0 EGADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)C1 ZINC000857122974 1325575692 /nfs/dbraw/zinc/57/56/92/1325575692.db2.gz MSMYTYMZJOFLMA-KRWDZBQOSA-N 2 2 334.423 3.396 20 0 EGADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)C1 ZINC000857122974 1325575697 /nfs/dbraw/zinc/57/56/97/1325575697.db2.gz MSMYTYMZJOFLMA-KRWDZBQOSA-N 2 2 334.423 3.396 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514583 1327786290 /nfs/dbraw/zinc/78/62/90/1327786290.db2.gz NLXKIWASUDXNRX-LJQANCHMSA-N 2 2 344.503 3.087 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514583 1327786292 /nfs/dbraw/zinc/78/62/92/1327786292.db2.gz NLXKIWASUDXNRX-LJQANCHMSA-N 2 2 344.503 3.087 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927093369 1327858801 /nfs/dbraw/zinc/85/88/01/1327858801.db2.gz CIMMMWVJVCCPGK-UHFFFAOYSA-N 2 2 346.519 3.387 20 0 EGADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865539275 1329710988 /nfs/dbraw/zinc/71/09/88/1329710988.db2.gz PPRBOKVHFXXWQC-CYBMUJFWSA-N 2 2 336.361 3.379 20 0 EGADLP Brc1cncc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000932252191 1329800242 /nfs/dbraw/zinc/80/02/42/1329800242.db2.gz QTBJXLDCECBIPT-HNNXBMFYSA-N 2 2 335.249 3.268 20 0 EGADLP Brc1cncc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000932252191 1329800244 /nfs/dbraw/zinc/80/02/44/1329800244.db2.gz QTBJXLDCECBIPT-HNNXBMFYSA-N 2 2 335.249 3.268 20 0 EGADLP CCC[N@H+](C[C@H](O)CSC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188100 1329953531 /nfs/dbraw/zinc/95/35/31/1329953531.db2.gz JKRIIUJWDZPGOP-IBGZPJMESA-N 2 2 336.545 3.087 20 0 EGADLP CCC[N@@H+](C[C@H](O)CSC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188100 1329953532 /nfs/dbraw/zinc/95/35/32/1329953532.db2.gz JKRIIUJWDZPGOP-IBGZPJMESA-N 2 2 336.545 3.087 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000934278812 1329961339 /nfs/dbraw/zinc/96/13/39/1329961339.db2.gz SCFQMCFASMXEBB-MAUKXSAKSA-N 2 2 348.450 3.346 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000934278812 1329961340 /nfs/dbraw/zinc/96/13/40/1329961340.db2.gz SCFQMCFASMXEBB-MAUKXSAKSA-N 2 2 348.450 3.346 20 0 EGADLP CC(C)[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccn1 ZINC000866324261 1330096647 /nfs/dbraw/zinc/09/66/47/1330096647.db2.gz QDQLHONYBKNRNE-YLJYHZDGSA-N 2 2 339.487 3.426 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CC(C)C)CC3(C)C)ccn12 ZINC000940745148 1331177003 /nfs/dbraw/zinc/17/70/03/1331177003.db2.gz NXMYQIFGUFNFRZ-QGZVFWFLSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CC(C)C)CC3(C)C)ccn12 ZINC000940745148 1331177005 /nfs/dbraw/zinc/17/70/05/1331177005.db2.gz NXMYQIFGUFNFRZ-QGZVFWFLSA-N 2 2 342.487 3.129 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942486028 1331944276 /nfs/dbraw/zinc/94/42/76/1331944276.db2.gz LABKGQOXEYQMSZ-WBVHZDCISA-N 2 2 342.487 3.211 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942486028 1331944280 /nfs/dbraw/zinc/94/42/80/1331944280.db2.gz LABKGQOXEYQMSZ-WBVHZDCISA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572112 1333176640 /nfs/dbraw/zinc/17/66/40/1333176640.db2.gz KSFGLMTZYTVSQQ-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572112 1333176643 /nfs/dbraw/zinc/17/66/43/1333176643.db2.gz KSFGLMTZYTVSQQ-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947863136 1333284528 /nfs/dbraw/zinc/28/45/28/1333284528.db2.gz XBTVQVFZRFTZSX-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCC1CCCCCC1 ZINC000947863136 1333284531 /nfs/dbraw/zinc/28/45/31/1333284531.db2.gz XBTVQVFZRFTZSX-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005534375 1336368972 /nfs/dbraw/zinc/36/89/72/1336368972.db2.gz XWMQAMPQOLBOPI-QZTJIDSGSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005534375 1336368974 /nfs/dbraw/zinc/36/89/74/1336368974.db2.gz XWMQAMPQOLBOPI-QZTJIDSGSA-N 2 2 344.503 3.016 20 0 EGADLP CC(C)=CC[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005585156 1336376445 /nfs/dbraw/zinc/37/64/45/1336376445.db2.gz ZHWBBPYKDZIGGP-UHFFFAOYSA-N 2 2 326.444 3.066 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001006061817 1336445182 /nfs/dbraw/zinc/44/51/82/1336445182.db2.gz VXEONWDHXXZJCA-UHFFFAOYSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001007635725 1336681081 /nfs/dbraw/zinc/68/10/81/1336681081.db2.gz IGYBISMLFBWIES-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001007635725 1336681082 /nfs/dbraw/zinc/68/10/82/1336681082.db2.gz IGYBISMLFBWIES-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513463 1337033124 /nfs/dbraw/zinc/03/31/24/1337033124.db2.gz GDWKISRGEITGJU-YJBOKZPZSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513463 1337033127 /nfs/dbraw/zinc/03/31/27/1337033127.db2.gz GDWKISRGEITGJU-YJBOKZPZSA-N 2 2 349.906 3.077 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccc1Br ZINC001206639018 1371115151 /nfs/dbraw/zinc/11/51/51/1371115151.db2.gz ANNLISUWWQHWRG-CQSZACIVSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1Br ZINC001206639018 1371115154 /nfs/dbraw/zinc/11/51/54/1371115154.db2.gz ANNLISUWWQHWRG-CQSZACIVSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938770 1337960504 /nfs/dbraw/zinc/96/05/04/1337960504.db2.gz WJNFSRKVYLZKTC-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C)cc(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938770 1337960508 /nfs/dbraw/zinc/96/05/08/1337960508.db2.gz WJNFSRKVYLZKTC-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632131 1340734425 /nfs/dbraw/zinc/73/44/25/1340734425.db2.gz BXIPEBADRJQDAY-CQSZACIVSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632131 1340734427 /nfs/dbraw/zinc/73/44/27/1340734427.db2.gz BXIPEBADRJQDAY-CQSZACIVSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001029161598 1340945580 /nfs/dbraw/zinc/94/55/80/1340945580.db2.gz QMQGAKFNUMJUOH-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001029982130 1341143546 /nfs/dbraw/zinc/14/35/46/1341143546.db2.gz NQSJXVZYPZCVII-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001029982130 1341143547 /nfs/dbraw/zinc/14/35/47/1341143547.db2.gz NQSJXVZYPZCVII-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001031440298 1341342460 /nfs/dbraw/zinc/34/24/60/1341342460.db2.gz UEKOENCUSLHRJY-YLJYHZDGSA-N 2 2 343.515 3.039 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001031440298 1341342461 /nfs/dbraw/zinc/34/24/61/1341342461.db2.gz UEKOENCUSLHRJY-YLJYHZDGSA-N 2 2 343.515 3.039 20 0 EGADLP O=C(NCC1C[NH+](CC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031773351 1341400060 /nfs/dbraw/zinc/40/00/60/1341400060.db2.gz TWEBGYSRQPDDND-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033913710 1342082563 /nfs/dbraw/zinc/08/25/63/1342082563.db2.gz SNDSFUKFLDACCM-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033913710 1342082567 /nfs/dbraw/zinc/08/25/67/1342082567.db2.gz SNDSFUKFLDACCM-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033950021 1342109080 /nfs/dbraw/zinc/10/90/80/1342109080.db2.gz NQULRWNYWPUWJE-JKSUJKDBSA-N 2 2 346.519 3.189 20 0 EGADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033950021 1342109082 /nfs/dbraw/zinc/10/90/82/1342109082.db2.gz NQULRWNYWPUWJE-JKSUJKDBSA-N 2 2 346.519 3.189 20 0 EGADLP CC1CC(C[N@@H+]2CCCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001034271456 1342362064 /nfs/dbraw/zinc/36/20/64/1342362064.db2.gz MPZUHWVDFPCHPC-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@H+]2CCCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001034271456 1342362069 /nfs/dbraw/zinc/36/20/69/1342362069.db2.gz MPZUHWVDFPCHPC-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034270821 1342362103 /nfs/dbraw/zinc/36/21/03/1342362103.db2.gz IRGWOXZUBSKRMI-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034270821 1342362108 /nfs/dbraw/zinc/36/21/08/1342362108.db2.gz IRGWOXZUBSKRMI-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP O=C(N[C@H]1CCCC[N@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034271109 1342362231 /nfs/dbraw/zinc/36/22/31/1342362231.db2.gz LHZDQTRRERFLMC-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CCCC[N@@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034271109 1342362232 /nfs/dbraw/zinc/36/22/32/1342362232.db2.gz LHZDQTRRERFLMC-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001034745011 1342732847 /nfs/dbraw/zinc/73/28/47/1342732847.db2.gz CXDMOAXJAGFIAE-BRSBDYLESA-N 2 2 346.519 3.186 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036265259 1343385590 /nfs/dbraw/zinc/38/55/90/1343385590.db2.gz LAXJXNHQQFXHBS-NVXWUHKLSA-N 2 2 344.503 3.014 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001036414472 1343472678 /nfs/dbraw/zinc/47/26/78/1343472678.db2.gz OPESAKOIZRSYBQ-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001036414472 1343472680 /nfs/dbraw/zinc/47/26/80/1343472680.db2.gz OPESAKOIZRSYBQ-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001036473833 1343504606 /nfs/dbraw/zinc/50/46/06/1343504606.db2.gz VOPGJBAGBZYGME-NVXWUHKLSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029901 1343938485 /nfs/dbraw/zinc/93/84/85/1343938485.db2.gz IALAMCXTEYZIRX-SJLPKXTDSA-N 2 2 348.450 3.251 20 0 EGADLP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1cccc2[nH+]ccn21 ZINC001037043260 1343945523 /nfs/dbraw/zinc/94/55/23/1343945523.db2.gz MMXZQCBLDRCZTN-IAGOWNOFSA-N 2 2 340.471 3.013 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037825689 1344121213 /nfs/dbraw/zinc/12/12/13/1344121213.db2.gz FTPMMCYPIMAKMQ-MSOLQXFVSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037828427 1344122303 /nfs/dbraw/zinc/12/23/03/1344122303.db2.gz OZNYIWDHSHCESE-ROUUACIJSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037965368 1344208461 /nfs/dbraw/zinc/20/84/61/1344208461.db2.gz CZXZXMYBVDQUGJ-ROUUACIJSA-N 2 2 346.519 3.058 20 0 EGADLP CCc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001038416830 1344419298 /nfs/dbraw/zinc/41/92/98/1344419298.db2.gz PQWNQQXYOFQYKT-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001038416830 1344419301 /nfs/dbraw/zinc/41/93/01/1344419301.db2.gz PQWNQQXYOFQYKT-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418697 1344420289 /nfs/dbraw/zinc/42/02/89/1344420289.db2.gz YTPUNFPYULHUGC-DOTOQJQBSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418697 1344420290 /nfs/dbraw/zinc/42/02/90/1344420290.db2.gz YTPUNFPYULHUGC-DOTOQJQBSA-N 2 2 348.450 3.437 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556080 1344481921 /nfs/dbraw/zinc/48/19/21/1344481921.db2.gz CLFUXQHOZSYIJK-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556080 1344481925 /nfs/dbraw/zinc/48/19/25/1344481925.db2.gz CLFUXQHOZSYIJK-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP 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ZINC001085672852 1358676828 /nfs/dbraw/zinc/67/68/28/1358676828.db2.gz JFSGBBBFESBRTQ-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001085672852 1358676836 /nfs/dbraw/zinc/67/68/36/1358676836.db2.gz JFSGBBBFESBRTQ-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)c1cccc2[nH+]ccn21 ZINC001086147431 1359008870 /nfs/dbraw/zinc/00/88/70/1359008870.db2.gz IEUQUTWGYRNQJT-CALCHBBNSA-N 2 2 340.471 3.013 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935380 1359258791 /nfs/dbraw/zinc/25/87/91/1359258791.db2.gz PQOHMAMFWJJOHE-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087620007 1359557777 /nfs/dbraw/zinc/55/77/77/1359557777.db2.gz NPBLGKCUUZZNDW-ZWKOTPCHSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001087620007 1359557779 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346.519 3.019 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748410 1366787845 /nfs/dbraw/zinc/78/78/45/1366787845.db2.gz ZJDXBJQBXWUCOT-FRQXZCBTSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874389 1366821105 /nfs/dbraw/zinc/82/11/05/1366821105.db2.gz GGXKYBKAPUCFSY-BRWVUGGUSA-N 2 2 348.535 3.054 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651864 1367094363 /nfs/dbraw/zinc/09/43/63/1367094363.db2.gz LQXCMJVPCWRFJR-NLWGTHIKSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651864 1367094367 /nfs/dbraw/zinc/09/43/67/1367094367.db2.gz LQXCMJVPCWRFJR-NLWGTHIKSA-N 2 2 346.519 3.070 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824855 1367342266 /nfs/dbraw/zinc/34/22/66/1367342266.db2.gz NDSLUUWPVIJMBK-ZIWGTDNVSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824855 1367342271 /nfs/dbraw/zinc/34/22/71/1367342271.db2.gz NDSLUUWPVIJMBK-ZIWGTDNVSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824855 1367342276 /nfs/dbraw/zinc/34/22/76/1367342276.db2.gz NDSLUUWPVIJMBK-ZIWGTDNVSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824855 1367342282 /nfs/dbraw/zinc/34/22/82/1367342282.db2.gz NDSLUUWPVIJMBK-ZIWGTDNVSA-N 2 2 344.503 3.056 20 0 EGADLP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587471 1367535942 /nfs/dbraw/zinc/53/59/42/1367535942.db2.gz XWXSSIRPDGXBEP-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587471 1367535947 /nfs/dbraw/zinc/53/59/47/1367535947.db2.gz XWXSSIRPDGXBEP-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711674 1367549602 /nfs/dbraw/zinc/54/96/02/1367549602.db2.gz OJVISDWGOQNHPY-XIRDDKMYSA-N 2 2 340.471 3.336 20 0 EGADLP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217513 1367968531 /nfs/dbraw/zinc/96/85/31/1367968531.db2.gz HHPSHMKSKPWDOI-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217513 1367968535 /nfs/dbraw/zinc/96/85/35/1367968535.db2.gz HHPSHMKSKPWDOI-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001197929666 1368926459 /nfs/dbraw/zinc/92/64/59/1368926459.db2.gz KFKWSXYGSOGNMH-UGSOOPFHSA-N 2 2 349.837 3.118 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001197929666 1368926461 /nfs/dbraw/zinc/92/64/61/1368926461.db2.gz KFKWSXYGSOGNMH-UGSOOPFHSA-N 2 2 349.837 3.118 20 0 EGADLP C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198007090 1368940821 /nfs/dbraw/zinc/94/08/21/1368940821.db2.gz KEKPIFSDKPNMGU-ROUUACIJSA-N 2 2 345.531 3.473 20 0 EGADLP C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198007090 1368940824 /nfs/dbraw/zinc/94/08/24/1368940824.db2.gz KEKPIFSDKPNMGU-ROUUACIJSA-N 2 2 345.531 3.473 20 0 EGADLP C[C@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001325448279 1387975529 /nfs/dbraw/zinc/97/55/29/1387975529.db2.gz HAIUMTUSUHRRKO-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995096 1369127619 /nfs/dbraw/zinc/12/76/19/1369127619.db2.gz SBCWPWCLTSRRGX-SFHVURJKSA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C)c(C)c2)CC1)[NH+](CC)CC ZINC001113340904 1369359220 /nfs/dbraw/zinc/35/92/20/1369359220.db2.gz FFNSQYLYMSUOMC-HXUWFJFHSA-N 2 2 345.531 3.068 20 0 EGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)c1 ZINC001203026086 1369958619 /nfs/dbraw/zinc/95/86/19/1369958619.db2.gz KJSWSODHAAVYTO-SZPZYZBQSA-N 2 2 333.479 3.134 20 0 EGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)c1 ZINC001203026086 1369958623 /nfs/dbraw/zinc/95/86/23/1369958623.db2.gz KJSWSODHAAVYTO-SZPZYZBQSA-N 2 2 333.479 3.134 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)c1 ZINC001203026086 1369958624 /nfs/dbraw/zinc/95/86/24/1369958624.db2.gz KJSWSODHAAVYTO-SZPZYZBQSA-N 2 2 333.479 3.134 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)c1 ZINC001203026086 1369958628 /nfs/dbraw/zinc/95/86/28/1369958628.db2.gz KJSWSODHAAVYTO-SZPZYZBQSA-N 2 2 333.479 3.134 20 0 EGADLP COc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203427379 1370121717 /nfs/dbraw/zinc/12/17/17/1370121717.db2.gz GMEXGFKOUUNZQM-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203427379 1370121720 /nfs/dbraw/zinc/12/17/20/1370121720.db2.gz GMEXGFKOUUNZQM-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203427379 1370121721 /nfs/dbraw/zinc/12/17/21/1370121721.db2.gz GMEXGFKOUUNZQM-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001203427379 1370121722 /nfs/dbraw/zinc/12/17/22/1370121722.db2.gz GMEXGFKOUUNZQM-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659499 1370205974 /nfs/dbraw/zinc/20/59/74/1370205974.db2.gz IBCKIYXBTWGJMI-WIJVFFIESA-N 2 2 344.503 3.024 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961564 1370331743 /nfs/dbraw/zinc/33/17/43/1370331743.db2.gz GKAUTAHFNZRPAG-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP Brc1cccc(-c2ccccc2C[N@@H+]2CCC[NH2+]CC2)n1 ZINC001204668403 1370540945 /nfs/dbraw/zinc/54/09/45/1370540945.db2.gz WILISLNMKQZUAY-UHFFFAOYSA-N 2 2 346.272 3.306 20 0 EGADLP Brc1cccc(-c2ccccc2C[N@H+]2CCC[NH2+]CC2)n1 ZINC001204668403 1370540953 /nfs/dbraw/zinc/54/09/53/1370540953.db2.gz WILISLNMKQZUAY-UHFFFAOYSA-N 2 2 346.272 3.306 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)n1cc[nH+]c1 ZINC001115583417 1370585511 /nfs/dbraw/zinc/58/55/11/1370585511.db2.gz BUOITSVZEUTSKG-SFHVURJKSA-N 2 2 346.519 3.289 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CCC(C)C)CCCCC2)c[nH+]1 ZINC001115591857 1370593051 /nfs/dbraw/zinc/59/30/51/1370593051.db2.gz IMSRNUNUPMPXQC-UHFFFAOYSA-N 2 2 348.535 3.381 20 0 EGADLP C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001204884912 1370596239 /nfs/dbraw/zinc/59/62/39/1370596239.db2.gz DEQVVNDXIAHLBF-QPJJXVBHSA-N 2 2 347.506 3.163 20 0 EGADLP C[N@H+](CCc1cccc(C(F)(F)F)n1)C[C@H]([NH3+])Cc1ccccc1 ZINC001204884888 1370596470 /nfs/dbraw/zinc/59/64/70/1370596470.db2.gz CKDNZKAGKJNPEZ-OAHLLOKOSA-N 2 2 337.389 3.145 20 0 EGADLP C[N@@H+](CCc1cccc(C(F)(F)F)n1)C[C@H]([NH3+])Cc1ccccc1 ZINC001204884888 1370596476 /nfs/dbraw/zinc/59/64/76/1370596476.db2.gz CKDNZKAGKJNPEZ-OAHLLOKOSA-N 2 2 337.389 3.145 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001205018897 1370631006 /nfs/dbraw/zinc/63/10/06/1370631006.db2.gz ZWGONSLMIYDGFS-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001205018897 1370631008 /nfs/dbraw/zinc/63/10/08/1370631008.db2.gz ZWGONSLMIYDGFS-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115641849 1370633261 /nfs/dbraw/zinc/63/32/61/1370633261.db2.gz KUWLVXXVYXBBAQ-PLNGDYQASA-N 2 2 346.519 3.118 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001205087810 1370647604 /nfs/dbraw/zinc/64/76/04/1370647604.db2.gz JNUYWYUMTFQSAW-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001205087810 1370647608 /nfs/dbraw/zinc/64/76/08/1370647608.db2.gz JNUYWYUMTFQSAW-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nc3ccccc3cc2Br)C[C@@H]1C[NH3+] ZINC001205315445 1370718431 /nfs/dbraw/zinc/71/84/31/1370718431.db2.gz GURZODBBOCBMRB-JSGCOSHPSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nc3ccccc3cc2Br)C[C@@H]1C[NH3+] ZINC001205315445 1370718435 /nfs/dbraw/zinc/71/84/35/1370718435.db2.gz GURZODBBOCBMRB-JSGCOSHPSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nc3ccccc3cc2Br)C[C@H]1C[NH3+] ZINC001205315769 1370718465 /nfs/dbraw/zinc/71/84/65/1370718465.db2.gz GURZODBBOCBMRB-TZMCWYRMSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nc3ccccc3cc2Br)C[C@H]1C[NH3+] ZINC001205315769 1370718469 /nfs/dbraw/zinc/71/84/69/1370718469.db2.gz GURZODBBOCBMRB-TZMCWYRMSA-N 2 2 348.288 3.414 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205315412 1370718992 /nfs/dbraw/zinc/71/89/92/1370718992.db2.gz GJCZXROMDYRHGV-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205315412 1370718996 /nfs/dbraw/zinc/71/89/96/1370718996.db2.gz GJCZXROMDYRHGV-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001205516328 1370778125 /nfs/dbraw/zinc/77/81/25/1370778125.db2.gz ZKPXZPQPMKDYTB-UHFFFAOYSA-N 2 2 347.503 3.041 20 0 EGADLP c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2[nH]1 ZINC001205577117 1370797600 /nfs/dbraw/zinc/79/76/00/1370797600.db2.gz SBRYATRUGCYPPL-PMACEKPBSA-N 2 2 332.451 3.127 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001205650872 1370827665 /nfs/dbraw/zinc/82/76/65/1370827665.db2.gz WEFHLXULRAWQPH-HNAYVOBHSA-N 2 2 332.488 3.446 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001205650872 1370827669 /nfs/dbraw/zinc/82/76/69/1370827669.db2.gz WEFHLXULRAWQPH-HNAYVOBHSA-N 2 2 332.488 3.446 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1cc(F)ccc1F ZINC001116067425 1370830956 /nfs/dbraw/zinc/83/09/56/1370830956.db2.gz WPBGPSBDHZUERZ-UHFFFAOYSA-N 2 2 342.349 3.425 20 0 EGADLP [NH3+]C[C@]1(F)CCCCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001206371771 1371036432 /nfs/dbraw/zinc/03/64/32/1371036432.db2.gz WAQOBCFRXYWWTQ-QGZVFWFLSA-N 2 2 336.842 3.179 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206427577 1371051256 /nfs/dbraw/zinc/05/12/56/1371051256.db2.gz IYRKURBSNYQLBD-ZWKOTPCHSA-N 2 2 348.535 3.345 20 0 EGADLP CCOc1nccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1Cl ZINC001206606405 1371107801 /nfs/dbraw/zinc/10/78/01/1371107801.db2.gz MZMHAERUUHWQFZ-HNNXBMFYSA-N 2 2 325.884 3.486 20 0 EGADLP CCOc1nccc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1Cl ZINC001206606405 1371107803 /nfs/dbraw/zinc/10/78/03/1371107803.db2.gz MZMHAERUUHWQFZ-HNNXBMFYSA-N 2 2 325.884 3.486 20 0 EGADLP Nc1cc[nH+]c2cc(-c3ccc(C[NH+]4CCOCC4)cc3F)ccc12 ZINC001206733934 1371148990 /nfs/dbraw/zinc/14/89/90/1371148990.db2.gz IUDFTXYVIIFZAK-UHFFFAOYSA-N 2 2 337.398 3.455 20 0 EGADLP CC(C)(C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)c1c[nH+]c[nH]1 ZINC001206872949 1371199323 /nfs/dbraw/zinc/19/93/23/1371199323.db2.gz ZKAFAJCWRWWSPE-UHFFFAOYSA-N 2 2 346.519 3.096 20 0 EGADLP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991839 1371261504 /nfs/dbraw/zinc/26/15/04/1371261504.db2.gz NYTVQXQJQUZTIH-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991839 1371261506 /nfs/dbraw/zinc/26/15/06/1371261506.db2.gz NYTVQXQJQUZTIH-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991839 1371261510 /nfs/dbraw/zinc/26/15/10/1371261510.db2.gz NYTVQXQJQUZTIH-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991839 1371261513 /nfs/dbraw/zinc/26/15/13/1371261513.db2.gz NYTVQXQJQUZTIH-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207278733 1371348779 /nfs/dbraw/zinc/34/87/79/1371348779.db2.gz CVGLVUVEVBXCNF-INIZCTEOSA-N 2 2 341.540 3.152 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207278733 1371348782 /nfs/dbraw/zinc/34/87/82/1371348782.db2.gz CVGLVUVEVBXCNF-INIZCTEOSA-N 2 2 341.540 3.152 20 0 EGADLP c1cc(-c2ccc3c(C4C[NH+](C[C@H]5CCCOC5)C4)[nH+]cn3c2)co1 ZINC001207468352 1371404192 /nfs/dbraw/zinc/40/41/92/1371404192.db2.gz OYUMVFVCNORVSP-OAHLLOKOSA-N 2 2 337.423 3.420 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207494658 1371413434 /nfs/dbraw/zinc/41/34/34/1371413434.db2.gz GXLRUPFYSGEMMB-IBGZPJMESA-N 2 2 334.479 3.334 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207494658 1371413437 /nfs/dbraw/zinc/41/34/37/1371413437.db2.gz GXLRUPFYSGEMMB-IBGZPJMESA-N 2 2 334.479 3.334 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCCc3cccc(Cl)c3)CC2)c1 ZINC001207594519 1371446413 /nfs/dbraw/zinc/44/64/13/1371446413.db2.gz YULWRLYQKJMVMY-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP Fc1cccc(CCC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001207601516 1371448416 /nfs/dbraw/zinc/44/84/16/1371448416.db2.gz LEOLMGZQZJVBTP-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP Fc1cccc(CCC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001207601516 1371448423 /nfs/dbraw/zinc/44/84/23/1371448423.db2.gz LEOLMGZQZJVBTP-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP COCCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC001120032065 1371463212 /nfs/dbraw/zinc/46/32/12/1371463212.db2.gz UWCCZIJEAIHZGH-UHFFFAOYSA-N 2 2 336.476 3.192 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659731 1371466504 /nfs/dbraw/zinc/46/65/04/1371466504.db2.gz KJCGZUGSJZYMFY-GUDVDZBRSA-N 2 2 348.535 3.343 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659731 1371466505 /nfs/dbraw/zinc/46/65/05/1371466505.db2.gz KJCGZUGSJZYMFY-GUDVDZBRSA-N 2 2 348.535 3.343 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430797 1371573958 /nfs/dbraw/zinc/57/39/58/1371573958.db2.gz NTLNSQNNYJAHDD-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430797 1371573965 /nfs/dbraw/zinc/57/39/65/1371573965.db2.gz NTLNSQNNYJAHDD-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)o1 ZINC001208156659 1371612315 /nfs/dbraw/zinc/61/23/15/1371612315.db2.gz QRIGLNWLEVPNLJ-INIZCTEOSA-N 2 2 342.487 3.390 20 0 EGADLP Cc1ccc([C@@H](C)CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)o1 ZINC001208156659 1371612319 /nfs/dbraw/zinc/61/23/19/1371612319.db2.gz QRIGLNWLEVPNLJ-INIZCTEOSA-N 2 2 342.487 3.390 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2CCN3CCc4ccccc4[C@H]3C2)CCCC1 ZINC001208187961 1371625815 /nfs/dbraw/zinc/62/58/15/1371625815.db2.gz QWFZUKJGNCRHEV-HXUWFJFHSA-N 2 2 327.516 3.023 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2CCN3CCc4ccccc4[C@H]3C2)CCCC1 ZINC001208187961 1371625817 /nfs/dbraw/zinc/62/58/17/1371625817.db2.gz QWFZUKJGNCRHEV-HXUWFJFHSA-N 2 2 327.516 3.023 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185458 1371626029 /nfs/dbraw/zinc/62/60/29/1371626029.db2.gz NHZYQUYRCDQBTE-HDICACEKSA-N 3 2 347.572 3.234 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185458 1371626033 /nfs/dbraw/zinc/62/60/33/1371626033.db2.gz NHZYQUYRCDQBTE-HDICACEKSA-N 3 2 347.572 3.234 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185458 1371626036 /nfs/dbraw/zinc/62/60/36/1371626036.db2.gz NHZYQUYRCDQBTE-HDICACEKSA-N 3 2 347.572 3.234 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185458 1371626040 /nfs/dbraw/zinc/62/60/40/1371626040.db2.gz NHZYQUYRCDQBTE-HDICACEKSA-N 3 2 347.572 3.234 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833800 1371777771 /nfs/dbraw/zinc/77/77/71/1371777771.db2.gz QRGSOYBZMOKHEN-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833800 1371777775 /nfs/dbraw/zinc/77/77/75/1371777775.db2.gz QRGSOYBZMOKHEN-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833800 1371777776 /nfs/dbraw/zinc/77/77/76/1371777776.db2.gz QRGSOYBZMOKHEN-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833800 1371777780 /nfs/dbraw/zinc/77/77/80/1371777780.db2.gz QRGSOYBZMOKHEN-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP C[N@H+](C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208761948 1371888158 /nfs/dbraw/zinc/88/81/58/1371888158.db2.gz HIOLDBLQVNNNIM-GOSISDBHSA-N 2 2 347.503 3.278 20 0 EGADLP C[N@@H+](C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001208761948 1371888162 /nfs/dbraw/zinc/88/81/62/1371888162.db2.gz HIOLDBLQVNNNIM-GOSISDBHSA-N 2 2 347.503 3.278 20 0 EGADLP C[C@@H](C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889610 1371933654 /nfs/dbraw/zinc/93/36/54/1371933654.db2.gz ATGQGECAMQXCOF-IMJJTQAJSA-N 2 2 327.394 3.034 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889610 1371933656 /nfs/dbraw/zinc/93/36/56/1371933656.db2.gz ATGQGECAMQXCOF-IMJJTQAJSA-N 2 2 327.394 3.034 20 0 EGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889610 1371933659 /nfs/dbraw/zinc/93/36/59/1371933659.db2.gz ATGQGECAMQXCOF-IMJJTQAJSA-N 2 2 327.394 3.034 20 0 EGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889610 1371933662 /nfs/dbraw/zinc/93/36/62/1371933662.db2.gz ATGQGECAMQXCOF-IMJJTQAJSA-N 2 2 327.394 3.034 20 0 EGADLP COC(=O)C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941193 1371956331 /nfs/dbraw/zinc/95/63/31/1371956331.db2.gz YGRKQZSSTGUOMT-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP COC(=O)C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941193 1371956332 /nfs/dbraw/zinc/95/63/32/1371956332.db2.gz YGRKQZSSTGUOMT-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP COC(=O)C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941193 1371956333 /nfs/dbraw/zinc/95/63/33/1371956333.db2.gz YGRKQZSSTGUOMT-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP COC(=O)C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208941193 1371956335 /nfs/dbraw/zinc/95/63/35/1371956335.db2.gz YGRKQZSSTGUOMT-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP O=C1CC[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944295 1371957080 /nfs/dbraw/zinc/95/70/80/1371957080.db2.gz PCTYKBDDXQDVBY-PZJWPPBQSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944295 1371957082 /nfs/dbraw/zinc/95/70/82/1371957082.db2.gz PCTYKBDDXQDVBY-PZJWPPBQSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944295 1371957086 /nfs/dbraw/zinc/95/70/86/1371957086.db2.gz PCTYKBDDXQDVBY-PZJWPPBQSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944295 1371957090 /nfs/dbraw/zinc/95/70/90/1371957090.db2.gz PCTYKBDDXQDVBY-PZJWPPBQSA-N 2 2 342.483 3.070 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942982 1371957511 /nfs/dbraw/zinc/95/75/11/1371957511.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942982 1371957514 /nfs/dbraw/zinc/95/75/14/1371957514.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942982 1371957517 /nfs/dbraw/zinc/95/75/17/1371957517.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942982 1371957522 /nfs/dbraw/zinc/95/75/22/1371957522.db2.gz KONPKYDKMQBROS-VSKRKVRLSA-N 3 2 341.543 3.172 20 0 EGADLP CCCCC[NH2+]C1CC2(CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001121396030 1371961581 /nfs/dbraw/zinc/96/15/81/1371961581.db2.gz VIKWKRUXWSIZJU-UHFFFAOYSA-N 2 2 340.471 3.155 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc2c(cn1)OCCC2 ZINC001209510294 1372124344 /nfs/dbraw/zinc/12/43/44/1372124344.db2.gz IUHRKAOSKBJJLV-UHFFFAOYSA-N 2 2 334.423 3.224 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cc2c(cn1)OCCC2 ZINC001209510294 1372124346 /nfs/dbraw/zinc/12/43/46/1372124346.db2.gz IUHRKAOSKBJJLV-UHFFFAOYSA-N 2 2 334.423 3.224 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001209866062 1372216875 /nfs/dbraw/zinc/21/68/75/1372216875.db2.gz NJFYUSHJIOUQHA-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3ccc4c[nH+]ccc4c3)cc2CO)CC1 ZINC001210047615 1372262410 /nfs/dbraw/zinc/26/24/10/1372262410.db2.gz GYHFQNLPMBGFSF-UHFFFAOYSA-N 2 2 348.450 3.223 20 0 EGADLP COc1cc(Nc2c[nH+]c(C)cc2C)ccc1N1CC[NH+](C)CC1 ZINC001213521098 1372918091 /nfs/dbraw/zinc/91/80/91/1372918091.db2.gz TTYCXJCDLKPILF-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1[nH+]cc(C)cc1C ZINC001213541365 1372922695 /nfs/dbraw/zinc/92/26/95/1372922695.db2.gz UHVIMJUIWXOGTL-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(Cl)c(O)c2F)CC1 ZINC001214798452 1373121006 /nfs/dbraw/zinc/12/10/06/1373121006.db2.gz RXFPIZFJFDHIJD-UHFFFAOYSA-N 2 2 336.798 3.075 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001130006507 1373445486 /nfs/dbraw/zinc/44/54/86/1373445486.db2.gz JQIDNWSNHDDLSS-YJBOKZPZSA-N 2 2 346.450 3.076 20 0 EGADLP CC(C)c1ccc(-c2nnc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217706384 1373491745 /nfs/dbraw/zinc/49/17/45/1373491745.db2.gz SLLGSMWRBNYZEP-INIZCTEOSA-N 2 2 326.444 3.407 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)C1 ZINC001326835195 1388325491 /nfs/dbraw/zinc/32/54/91/1388325491.db2.gz SAHDQWWGNSBOHZ-DLBZAZTESA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)C1 ZINC001326835195 1388325495 /nfs/dbraw/zinc/32/54/95/1388325495.db2.gz SAHDQWWGNSBOHZ-DLBZAZTESA-N 2 2 346.519 3.187 20 0 EGADLP CCCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041404 1375112865 /nfs/dbraw/zinc/11/28/65/1375112865.db2.gz DKZCLVZGBFPDDT-MAUKXSAKSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041404 1375112866 /nfs/dbraw/zinc/11/28/66/1375112866.db2.gz DKZCLVZGBFPDDT-MAUKXSAKSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125790 1375159572 /nfs/dbraw/zinc/15/95/72/1375159572.db2.gz YPWKQSLEAZKLGT-SJORKVTESA-N 2 2 334.508 3.086 20 0 EGADLP CCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125790 1375159575 /nfs/dbraw/zinc/15/95/75/1375159575.db2.gz YPWKQSLEAZKLGT-SJORKVTESA-N 2 2 334.508 3.086 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696813 1375311331 /nfs/dbraw/zinc/31/13/31/1375311331.db2.gz OHLCFCKHOZJQQR-CGTJXYLNSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696813 1375311336 /nfs/dbraw/zinc/31/13/36/1375311336.db2.gz OHLCFCKHOZJQQR-CGTJXYLNSA-N 2 2 334.508 3.042 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546936 1375454184 /nfs/dbraw/zinc/45/41/84/1375454184.db2.gz UTERNRVOTUNFAJ-WMZOPIPTSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546936 1375454188 /nfs/dbraw/zinc/45/41/88/1375454188.db2.gz UTERNRVOTUNFAJ-WMZOPIPTSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001227987088 1375498238 /nfs/dbraw/zinc/49/82/38/1375498238.db2.gz SDAOWUWHHJTZHY-UHFFFAOYSA-N 2 2 328.460 3.193 20 0 EGADLP CCCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919038 1375643595 /nfs/dbraw/zinc/64/35/95/1375643595.db2.gz CDCZEEKBTZGADM-WBVHZDCISA-N 2 2 342.487 3.441 20 0 EGADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014079 1376382694 /nfs/dbraw/zinc/38/26/94/1376382694.db2.gz JPMWMVSBAPSNCV-INIZCTEOSA-N 2 2 344.459 3.394 20 0 EGADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014079 1376382696 /nfs/dbraw/zinc/38/26/96/1376382696.db2.gz JPMWMVSBAPSNCV-INIZCTEOSA-N 2 2 344.459 3.394 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc2cc(Br)ccc2n1 ZINC001232100310 1376399720 /nfs/dbraw/zinc/39/97/20/1376399720.db2.gz MUURIZYOINJXNA-UHFFFAOYSA-N 2 2 336.277 3.381 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc2cc(Br)ccc2n1 ZINC001232100310 1376399723 /nfs/dbraw/zinc/39/97/23/1376399723.db2.gz MUURIZYOINJXNA-UHFFFAOYSA-N 2 2 336.277 3.381 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227434 1376423486 /nfs/dbraw/zinc/42/34/86/1376423486.db2.gz HCZRZMWRENYSPM-HOTGVXAUSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228110 1376423876 /nfs/dbraw/zinc/42/38/76/1376423876.db2.gz LPKYVXIYGVNXQC-HOTGVXAUSA-N 2 2 346.519 3.186 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4nccc5ccccc54)C[C@H]3C2)nc1 ZINC001232250488 1376424691 /nfs/dbraw/zinc/42/46/91/1376424691.db2.gz SRTAUXOMRBULNR-RTBURBONSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1C ZINC001134230711 1376424765 /nfs/dbraw/zinc/42/47/65/1376424765.db2.gz YCBGUGVFDXQEDM-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP CSc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cn1 ZINC001232351809 1376447087 /nfs/dbraw/zinc/44/70/87/1376447087.db2.gz OCZUPQXOAWBKIA-UHFFFAOYSA-N 2 2 328.485 3.138 20 0 EGADLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1Cl ZINC001232366268 1376449157 /nfs/dbraw/zinc/44/91/57/1376449157.db2.gz UKZTVHXKTAVARB-UHFFFAOYSA-N 2 2 344.890 3.119 20 0 EGADLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1Cl ZINC001232366268 1376449161 /nfs/dbraw/zinc/44/91/61/1376449161.db2.gz UKZTVHXKTAVARB-UHFFFAOYSA-N 2 2 344.890 3.119 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001232602375 1376488178 /nfs/dbraw/zinc/48/81/78/1376488178.db2.gz CRPSSWNKEAPRIS-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001232602375 1376488199 /nfs/dbraw/zinc/48/81/99/1376488199.db2.gz CRPSSWNKEAPRIS-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232621654 1376491198 /nfs/dbraw/zinc/49/11/98/1376491198.db2.gz YTKOPNZCZCDOGN-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cccc(C)c1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232621654 1376491201 /nfs/dbraw/zinc/49/12/01/1376491201.db2.gz YTKOPNZCZCDOGN-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cccc(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001232621654 1376491205 /nfs/dbraw/zinc/49/12/05/1376491205.db2.gz YTKOPNZCZCDOGN-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cccc(C)c1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001232621654 1376491209 /nfs/dbraw/zinc/49/12/09/1376491209.db2.gz YTKOPNZCZCDOGN-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCCF)ccn12 ZINC001134369228 1376496368 /nfs/dbraw/zinc/49/63/68/1376496368.db2.gz IWBJQYGHZKIDIC-HUUCEWRRSA-N 2 2 348.466 3.269 20 0 EGADLP COc1cc(O)cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001232805111 1376518520 /nfs/dbraw/zinc/51/85/20/1376518520.db2.gz UQYFKBTTYXWPFA-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001232805111 1376518525 /nfs/dbraw/zinc/51/85/25/1376518525.db2.gz UQYFKBTTYXWPFA-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001232805111 1376518531 /nfs/dbraw/zinc/51/85/31/1376518531.db2.gz UQYFKBTTYXWPFA-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001232805111 1376518536 /nfs/dbraw/zinc/51/85/36/1376518536.db2.gz UQYFKBTTYXWPFA-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H]3CC[N@H+]3CCCC(C)C)ccn12 ZINC001234314516 1376805520 /nfs/dbraw/zinc/80/55/20/1376805520.db2.gz WSKKUNWJGVFGSW-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H]3CC[N@@H+]3CCCC(C)C)ccn12 ZINC001234314516 1376805523 /nfs/dbraw/zinc/80/55/23/1376805523.db2.gz WSKKUNWJGVFGSW-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968475 1376817251 /nfs/dbraw/zinc/81/72/51/1376817251.db2.gz BZTGJRJDMGROBQ-HOTGVXAUSA-N 2 2 330.476 3.257 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134971725 1376819551 /nfs/dbraw/zinc/81/95/51/1376819551.db2.gz ZBTFUIMOZPWUCE-HOTGVXAUSA-N 2 2 340.471 3.321 20 0 EGADLP COc1ccc2sc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235022903 1376828748 /nfs/dbraw/zinc/82/87/48/1376828748.db2.gz RHRPJHVFSDJLOV-LJQANCHMSA-N 2 2 346.496 3.112 20 0 EGADLP COc1ccc2sc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235022903 1376828754 /nfs/dbraw/zinc/82/87/54/1376828754.db2.gz RHRPJHVFSDJLOV-LJQANCHMSA-N 2 2 346.496 3.112 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(OC)c1Cl ZINC001235036869 1376837529 /nfs/dbraw/zinc/83/75/29/1376837529.db2.gz CEIYSKBATCUCFK-SFHVURJKSA-N 2 2 338.879 3.465 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(OC)c1Cl ZINC001235036869 1376837536 /nfs/dbraw/zinc/83/75/36/1376837536.db2.gz CEIYSKBATCUCFK-SFHVURJKSA-N 2 2 338.879 3.465 20 0 EGADLP Clc1ccc(CCC[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1Cl ZINC001235113636 1376846650 /nfs/dbraw/zinc/84/66/50/1376846650.db2.gz FMHZNHXIFKKWMN-QGZVFWFLSA-N 2 2 343.298 3.380 20 0 EGADLP Clc1ccc(CCC[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1Cl ZINC001235113636 1376846656 /nfs/dbraw/zinc/84/66/56/1376846656.db2.gz FMHZNHXIFKKWMN-QGZVFWFLSA-N 2 2 343.298 3.380 20 0 EGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114344 1376847037 /nfs/dbraw/zinc/84/70/37/1376847037.db2.gz LIOUDOYVSKDHKA-KRWDZBQOSA-N 2 2 342.405 3.092 20 0 EGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114344 1376847046 /nfs/dbraw/zinc/84/70/46/1376847046.db2.gz LIOUDOYVSKDHKA-KRWDZBQOSA-N 2 2 342.405 3.092 20 0 EGADLP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115833 1376848466 /nfs/dbraw/zinc/84/84/66/1376848466.db2.gz RZOBAUSVMMLBRV-IEBWSBKVSA-N 2 2 326.525 3.062 20 0 EGADLP COC(C)(C)CCC[C@@H](C)CC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115833 1376848475 /nfs/dbraw/zinc/84/84/75/1376848475.db2.gz RZOBAUSVMMLBRV-IEBWSBKVSA-N 2 2 326.525 3.062 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1OCc1ccccc1 ZINC001235253867 1376863990 /nfs/dbraw/zinc/86/39/90/1376863990.db2.gz FZEWYNCAVMODLP-WDSOQIARSA-N 2 2 326.415 3.326 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1OCc1ccccc1 ZINC001235253867 1376863993 /nfs/dbraw/zinc/86/39/93/1376863993.db2.gz FZEWYNCAVMODLP-WDSOQIARSA-N 2 2 326.415 3.326 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCC(C)C)c(C)[nH+]1 ZINC001135044507 1376865234 /nfs/dbraw/zinc/86/52/34/1376865234.db2.gz VJFLUSXGTPYLED-WBVHZDCISA-N 2 2 349.519 3.166 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001135044377 1376865403 /nfs/dbraw/zinc/86/54/03/1376865403.db2.gz TWXMMZIWCJVOAY-DGCLKSJQSA-N 2 2 345.409 3.446 20 0 EGADLP CCCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044060 1376865650 /nfs/dbraw/zinc/86/56/50/1376865650.db2.gz OFVLZCJWPQKPEU-DOTOQJQBSA-N 2 2 349.519 3.310 20 0 EGADLP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632114 1376878791 /nfs/dbraw/zinc/87/87/91/1376878791.db2.gz FISFIFDDCMMTEU-ZWKOTPCHSA-N 2 2 334.508 3.193 20 0 EGADLP CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632114 1376878807 /nfs/dbraw/zinc/87/88/07/1376878807.db2.gz FISFIFDDCMMTEU-ZWKOTPCHSA-N 2 2 334.508 3.193 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001135080555 1376883744 /nfs/dbraw/zinc/88/37/44/1376883744.db2.gz WZLOWCDQQRCWLN-JKSUJKDBSA-N 2 2 342.487 3.179 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001135080555 1376883746 /nfs/dbraw/zinc/88/37/46/1376883746.db2.gz WZLOWCDQQRCWLN-JKSUJKDBSA-N 2 2 342.487 3.179 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCC1CC1 ZINC001135098419 1376896806 /nfs/dbraw/zinc/89/68/06/1376896806.db2.gz XQGGBWZTSWMWGH-CVEARBPZSA-N 2 2 340.471 3.159 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235943856 1376919799 /nfs/dbraw/zinc/91/97/99/1376919799.db2.gz ZIGTYEMBECAEJN-PWSUYJOCSA-N 2 2 334.769 3.280 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235943856 1376919801 /nfs/dbraw/zinc/91/98/01/1376919801.db2.gz ZIGTYEMBECAEJN-PWSUYJOCSA-N 2 2 334.769 3.280 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@H+](CC[NH3+])C(C)C)cc2)cc1 ZINC001235946855 1376921679 /nfs/dbraw/zinc/92/16/79/1376921679.db2.gz DNBRXXUBEIKSSH-UHFFFAOYSA-N 2 2 326.440 3.309 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+](CC[NH3+])C(C)C)cc2)cc1 ZINC001235946855 1376921686 /nfs/dbraw/zinc/92/16/86/1376921686.db2.gz DNBRXXUBEIKSSH-UHFFFAOYSA-N 2 2 326.440 3.309 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CC1CCC(C)(C)CC1 ZINC001135138244 1376928527 /nfs/dbraw/zinc/92/85/27/1376928527.db2.gz YQMCOFPUYQZNML-SJORKVTESA-N 2 2 348.535 3.363 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050299 1376928581 /nfs/dbraw/zinc/92/85/81/1376928581.db2.gz HKTVWGZEISEWCR-XHDPSFHLSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050299 1376928590 /nfs/dbraw/zinc/92/85/90/1376928590.db2.gz HKTVWGZEISEWCR-XHDPSFHLSA-N 2 2 334.261 3.166 20 0 EGADLP C[NH+]1CCC(CC[N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236388929 1376951988 /nfs/dbraw/zinc/95/19/88/1376951988.db2.gz RBPVUJUJIJAZHY-HXUWFJFHSA-N 3 2 333.495 3.112 20 0 EGADLP C[NH+]1CCC(CC[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236388929 1376951995 /nfs/dbraw/zinc/95/19/95/1376951995.db2.gz RBPVUJUJIJAZHY-HXUWFJFHSA-N 3 2 333.495 3.112 20 0 EGADLP CCC[N@@H+](Cc1cc(Cl)cnc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236844098 1376966083 /nfs/dbraw/zinc/96/60/83/1376966083.db2.gz SUYABEWKRVVCSR-CQSZACIVSA-N 2 2 325.884 3.344 20 0 EGADLP CCC[N@H+](Cc1cc(Cl)cnc1OC(C)C)C[C@@H]1CC[NH2+]C1 ZINC001236844098 1376966090 /nfs/dbraw/zinc/96/60/90/1376966090.db2.gz SUYABEWKRVVCSR-CQSZACIVSA-N 2 2 325.884 3.344 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001245142620 1377043511 /nfs/dbraw/zinc/04/35/11/1377043511.db2.gz DPJVFEBATPNVET-LJQANCHMSA-N 2 2 328.431 3.253 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001245142620 1377043515 /nfs/dbraw/zinc/04/35/15/1377043515.db2.gz DPJVFEBATPNVET-LJQANCHMSA-N 2 2 328.431 3.253 20 0 EGADLP C[C@@H]1CC([NH2+]C2(Cc3ccccc3Cl)CC[NH2+]CC2)C[C@@H](C)[NH2+]1 ZINC001246381312 1377051570 /nfs/dbraw/zinc/05/15/70/1377051570.db2.gz OWYLEJZKHIPLMD-HUUCEWRRSA-N 3 2 335.923 3.123 20 0 EGADLP Clc1ccccc1CC1([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC001246381581 1377051718 /nfs/dbraw/zinc/05/17/18/1377051718.db2.gz QMXSRBUKNSFMHV-KRWDZBQOSA-N 3 2 347.934 3.269 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679927 1377182149 /nfs/dbraw/zinc/18/21/49/1377182149.db2.gz PNYDLYFENCMLBM-IRXDYDNUSA-N 2 2 342.487 3.024 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135798119 1377213577 /nfs/dbraw/zinc/21/35/77/1377213577.db2.gz BFGDXCINGKWNJY-CVEARBPZSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840910 1377228909 /nfs/dbraw/zinc/22/89/09/1377228909.db2.gz RHJJYBIDOLPQLN-HZPDHXFCSA-N 2 2 340.471 3.159 20 0 EGADLP COc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC001137006252 1377456162 /nfs/dbraw/zinc/45/61/62/1377456162.db2.gz KPHLDNJAIACLQS-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC001137006252 1377456163 /nfs/dbraw/zinc/45/61/63/1377456163.db2.gz KPHLDNJAIACLQS-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001137006252 1377456166 /nfs/dbraw/zinc/45/61/66/1377456166.db2.gz KPHLDNJAIACLQS-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001137006252 1377456168 /nfs/dbraw/zinc/45/61/68/1377456168.db2.gz KPHLDNJAIACLQS-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CCC1CCCCCC1 ZINC001268256826 1377502342 /nfs/dbraw/zinc/50/23/42/1377502342.db2.gz WRFCWXJYLKZYFP-UHFFFAOYSA-N 2 2 334.508 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CCC1CCCCCC1 ZINC001268256826 1377502344 /nfs/dbraw/zinc/50/23/44/1377502344.db2.gz WRFCWXJYLKZYFP-UHFFFAOYSA-N 2 2 334.508 3.011 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)c1 ZINC001137342985 1377524472 /nfs/dbraw/zinc/52/44/72/1377524472.db2.gz VMIZRONNEIKMQH-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2csc(Br)n2)CC1 ZINC001137582015 1377568225 /nfs/dbraw/zinc/56/82/25/1377568225.db2.gz LZVLPZIQJJXPGS-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2csc(Br)n2)CC1 ZINC001137582015 1377568226 /nfs/dbraw/zinc/56/82/26/1377568226.db2.gz LZVLPZIQJJXPGS-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP O=C(NCCC1CC[NH+](CC2CCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001270125418 1377595000 /nfs/dbraw/zinc/59/50/00/1377595000.db2.gz YSMXYWFQRQUWLA-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC001137761521 1377612308 /nfs/dbraw/zinc/61/23/08/1377612308.db2.gz PYQKQNTWWHITTE-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC001137761521 1377612309 /nfs/dbraw/zinc/61/23/09/1377612309.db2.gz PYQKQNTWWHITTE-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001271591309 1377642572 /nfs/dbraw/zinc/64/25/72/1377642572.db2.gz JKQQMYQAAWRMLA-WMZOPIPTSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)[nH]c2ccc(F)cc12 ZINC001138411034 1377719035 /nfs/dbraw/zinc/71/90/35/1377719035.db2.gz DGAKTPKLXJZZHQ-UHFFFAOYSA-N 2 2 344.434 3.245 20 0 EGADLP CCCc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)s1 ZINC001138528288 1377737567 /nfs/dbraw/zinc/73/75/67/1377737567.db2.gz SQGDWWSXXJNCAK-UHFFFAOYSA-N 2 2 331.485 3.426 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccnn2[C@H]2CCCCO2)C2CCCC2)CC1 ZINC001138785098 1377785282 /nfs/dbraw/zinc/78/52/82/1377785282.db2.gz ODKVQCSEQOSJRV-HXUWFJFHSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccnn2[C@H]2CCCCO2)C2CCCC2)CC1 ZINC001138785098 1377785283 /nfs/dbraw/zinc/78/52/83/1377785283.db2.gz ODKVQCSEQOSJRV-HXUWFJFHSA-N 2 2 346.519 3.421 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)ccc2o1 ZINC001138823174 1377791960 /nfs/dbraw/zinc/79/19/60/1377791960.db2.gz QVQBTESKODBKPJ-RTBURBONSA-N 2 2 333.435 3.392 20 0 EGADLP CCCCOc1cccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)c1 ZINC001138954185 1377809218 /nfs/dbraw/zinc/80/92/18/1377809218.db2.gz QTZUIIUUXOMRCG-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP CCCCOc1cccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)c1 ZINC001138954185 1377809221 /nfs/dbraw/zinc/80/92/21/1377809221.db2.gz QTZUIIUUXOMRCG-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5cccnc5c4)C[C@H]3C2)nc1 ZINC001139171339 1377843246 /nfs/dbraw/zinc/84/32/46/1377843246.db2.gz SXJXBOPYCPMXBK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5cccnc5c4)C[C@H]3C2)nc1 ZINC001139171339 1377843247 /nfs/dbraw/zinc/84/32/47/1377843247.db2.gz SXJXBOPYCPMXBK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@H]3C2)nc1 ZINC001139171339 1377843248 /nfs/dbraw/zinc/84/32/48/1377843248.db2.gz SXJXBOPYCPMXBK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@H]3C2)nc1 ZINC001139171339 1377843249 /nfs/dbraw/zinc/84/32/49/1377843249.db2.gz SXJXBOPYCPMXBK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139362300 1377874377 /nfs/dbraw/zinc/87/43/77/1377874377.db2.gz KRGXWCUTRGYTFY-MRXNPFEDSA-N 2 2 337.427 3.197 20 0 EGADLP CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139362300 1377874378 /nfs/dbraw/zinc/87/43/78/1377874378.db2.gz KRGXWCUTRGYTFY-MRXNPFEDSA-N 2 2 337.427 3.197 20 0 EGADLP CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001139364238 1377874590 /nfs/dbraw/zinc/87/45/90/1377874590.db2.gz PPKOQLSFAJSBME-WMZOPIPTSA-N 2 2 341.455 3.284 20 0 EGADLP CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001139364238 1377874591 /nfs/dbraw/zinc/87/45/91/1377874591.db2.gz PPKOQLSFAJSBME-WMZOPIPTSA-N 2 2 341.455 3.284 20 0 EGADLP Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001139678613 1377933050 /nfs/dbraw/zinc/93/30/50/1377933050.db2.gz ASCFGUKUILVIQZ-KRWDZBQOSA-N 2 2 336.439 3.308 20 0 EGADLP Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001139678613 1377933052 /nfs/dbraw/zinc/93/30/52/1377933052.db2.gz ASCFGUKUILVIQZ-KRWDZBQOSA-N 2 2 336.439 3.308 20 0 EGADLP CC[C@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139765041 1377948137 /nfs/dbraw/zinc/94/81/37/1377948137.db2.gz RSWBHHVXONLWBI-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP CC[C@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139765041 1377948138 /nfs/dbraw/zinc/94/81/38/1377948138.db2.gz RSWBHHVXONLWBI-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP c1ccc2c(c1)cncc2C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139894188 1377974565 /nfs/dbraw/zinc/97/45/65/1377974565.db2.gz NIOXHWIGPVPJQL-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(OC)c(Br)c1 ZINC001140165740 1378024359 /nfs/dbraw/zinc/02/43/59/1378024359.db2.gz JGNGWVJONWCHOB-UHFFFAOYSA-N 2 2 344.297 3.016 20 0 EGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5cnccc54)C[C@H]3C2)c1 ZINC001140142097 1378019665 /nfs/dbraw/zinc/01/96/65/1378019665.db2.gz YJWXPCQGENJOPE-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5cnccc54)C[C@H]3C2)c1 ZINC001140142097 1378019668 /nfs/dbraw/zinc/01/96/68/1378019668.db2.gz YJWXPCQGENJOPE-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5cnccc54)C[C@H]3C2)c1 ZINC001140142097 1378019669 /nfs/dbraw/zinc/01/96/69/1378019669.db2.gz YJWXPCQGENJOPE-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5cnccc54)C[C@H]3C2)c1 ZINC001140142097 1378019672 /nfs/dbraw/zinc/01/96/72/1378019672.db2.gz YJWXPCQGENJOPE-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(OC)c(Br)c1 ZINC001140165740 1378024358 /nfs/dbraw/zinc/02/43/58/1378024358.db2.gz JGNGWVJONWCHOB-UHFFFAOYSA-N 2 2 344.297 3.016 20 0 EGADLP COC(=O)Cc1ccccc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001140654122 1378106462 /nfs/dbraw/zinc/10/64/62/1378106462.db2.gz SDSCIRCCNKZUQQ-UHFFFAOYSA-N 2 2 349.434 3.220 20 0 EGADLP COC(=O)Cc1ccccc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001140654122 1378106463 /nfs/dbraw/zinc/10/64/63/1378106463.db2.gz SDSCIRCCNKZUQQ-UHFFFAOYSA-N 2 2 349.434 3.220 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887550 1378169376 /nfs/dbraw/zinc/16/93/76/1378169376.db2.gz GCEOFESBVXHODH-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887550 1378169382 /nfs/dbraw/zinc/16/93/82/1378169382.db2.gz GCEOFESBVXHODH-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887550 1378169390 /nfs/dbraw/zinc/16/93/90/1378169390.db2.gz GCEOFESBVXHODH-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887550 1378169394 /nfs/dbraw/zinc/16/93/94/1378169394.db2.gz GCEOFESBVXHODH-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001278217908 1378265064 /nfs/dbraw/zinc/26/50/64/1378265064.db2.gz PTLOLDGTNHMUAH-JLVBRIDZSA-N 2 2 326.444 3.031 20 0 EGADLP CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001278217908 1378265070 /nfs/dbraw/zinc/26/50/70/1378265070.db2.gz PTLOLDGTNHMUAH-JLVBRIDZSA-N 2 2 326.444 3.031 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001141287510 1378291993 /nfs/dbraw/zinc/29/19/93/1378291993.db2.gz GOSBVHBRWXRYSO-OAHLLOKOSA-N 2 2 346.402 3.200 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001141287510 1378292004 /nfs/dbraw/zinc/29/20/04/1378292004.db2.gz GOSBVHBRWXRYSO-OAHLLOKOSA-N 2 2 346.402 3.200 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(-c2ccccc2)nc2n1CCS2 ZINC001141312585 1378299275 /nfs/dbraw/zinc/29/92/75/1378299275.db2.gz HEKFMCBLUZCZIX-UHFFFAOYSA-N 2 2 344.528 3.429 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(-c2ccccc2)nc2n1CCS2 ZINC001141312585 1378299278 /nfs/dbraw/zinc/29/92/78/1378299278.db2.gz HEKFMCBLUZCZIX-UHFFFAOYSA-N 2 2 344.528 3.429 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC)c(OC4CCCC4)c3)C[C@@H]2C1 ZINC001141525341 1378339450 /nfs/dbraw/zinc/33/94/50/1378339450.db2.gz JOCMYGMUSWIYRE-ROUUACIJSA-N 2 2 344.499 3.400 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC001142283546 1378429019 /nfs/dbraw/zinc/42/90/19/1378429019.db2.gz RWMIGNZXIKAJSF-NEPJUHHUSA-N 2 2 329.271 3.386 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(Cl)c1 ZINC001142283546 1378429021 /nfs/dbraw/zinc/42/90/21/1378429021.db2.gz RWMIGNZXIKAJSF-NEPJUHHUSA-N 2 2 329.271 3.386 20 0 EGADLP COc1cc(Cl)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(Cl)c1 ZINC001142283546 1378429023 /nfs/dbraw/zinc/42/90/23/1378429023.db2.gz RWMIGNZXIKAJSF-NEPJUHHUSA-N 2 2 329.271 3.386 20 0 EGADLP COc1cc(Cl)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(Cl)c1 ZINC001142283546 1378429025 /nfs/dbraw/zinc/42/90/25/1378429025.db2.gz RWMIGNZXIKAJSF-NEPJUHHUSA-N 2 2 329.271 3.386 20 0 EGADLP c1nc2c(cccc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142686708 1378477342 /nfs/dbraw/zinc/47/73/42/1378477342.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2c(cccc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142686708 1378477343 /nfs/dbraw/zinc/47/73/43/1378477343.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2c(cccc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142686708 1378477344 /nfs/dbraw/zinc/47/73/44/1378477344.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2c(cccc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142686708 1378477345 /nfs/dbraw/zinc/47/73/45/1378477345.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001142686708 1378477348 /nfs/dbraw/zinc/47/73/48/1378477348.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001142686708 1378477353 /nfs/dbraw/zinc/47/73/53/1378477353.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001142686708 1378477356 /nfs/dbraw/zinc/47/73/56/1378477356.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001142686708 1378477357 /nfs/dbraw/zinc/47/73/57/1378477357.db2.gz HMIPAHTYNINHMO-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP COc1cc(C)cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143151854 1378548356 /nfs/dbraw/zinc/54/83/56/1378548356.db2.gz AVIFJFJWYGCRER-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143151854 1378548359 /nfs/dbraw/zinc/54/83/59/1378548359.db2.gz AVIFJFJWYGCRER-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001143151854 1378548365 /nfs/dbraw/zinc/54/83/65/1378548365.db2.gz AVIFJFJWYGCRER-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001143151854 1378548366 /nfs/dbraw/zinc/54/83/66/1378548366.db2.gz AVIFJFJWYGCRER-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2scc3c2OCCO3)C2CCCC2)CC1 ZINC001143193541 1378556862 /nfs/dbraw/zinc/55/68/62/1378556862.db2.gz NDRYGVPZKVTBRJ-UHFFFAOYSA-N 2 2 336.501 3.358 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2scc3c2OCCO3)C2CCCC2)CC1 ZINC001143193541 1378556867 /nfs/dbraw/zinc/55/68/67/1378556867.db2.gz NDRYGVPZKVTBRJ-UHFFFAOYSA-N 2 2 336.501 3.358 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001143251694 1378570014 /nfs/dbraw/zinc/57/00/14/1378570014.db2.gz WJPJQMYDWXGQRJ-UHFFFAOYSA-N 2 2 332.398 3.353 20 0 EGADLP CC[N@H+](Cc1ccnc(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001143691781 1378635500 /nfs/dbraw/zinc/63/55/00/1378635500.db2.gz NDIVWOYXXUFSGJ-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP CC[N@@H+](Cc1ccnc(NC(=O)OC(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001143691781 1378635502 /nfs/dbraw/zinc/63/55/02/1378635502.db2.gz NDIVWOYXXUFSGJ-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC001146707520 1378904431 /nfs/dbraw/zinc/90/44/31/1378904431.db2.gz SDBYONRLFHNKJY-ROUUACIJSA-N 2 2 342.487 3.045 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CCC1CCCCCC1 ZINC001146772123 1378916190 /nfs/dbraw/zinc/91/61/90/1378916190.db2.gz QWJMYRFEUHLINR-SJORKVTESA-N 2 2 334.508 3.117 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358233 1379156541 /nfs/dbraw/zinc/15/65/41/1379156541.db2.gz YFMIUCTUDFOXQP-ROUUACIJSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358233 1379156543 /nfs/dbraw/zinc/15/65/43/1379156543.db2.gz YFMIUCTUDFOXQP-ROUUACIJSA-N 2 2 346.519 3.051 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001149129860 1379329929 /nfs/dbraw/zinc/32/99/29/1379329929.db2.gz JAAWXBMFMPQBBC-AWEZNQCLSA-N 2 2 342.487 3.025 20 0 EGADLP CC[N@H+](CC[C@@H]1CCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403097 1380270655 /nfs/dbraw/zinc/27/06/55/1380270655.db2.gz ALHDMOVEZPTBPS-AEFFLSMTSA-N 2 2 347.503 3.016 20 0 EGADLP CC[N@@H+](CC[C@@H]1CCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403097 1380270659 /nfs/dbraw/zinc/27/06/59/1380270659.db2.gz ALHDMOVEZPTBPS-AEFFLSMTSA-N 2 2 347.503 3.016 20 0 EGADLP Fc1ccc2nc(C(F)F)nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155062749 1380401088 /nfs/dbraw/zinc/40/10/88/1380401088.db2.gz GZOUSWKPTCWXDZ-UHFFFAOYSA-N 2 2 347.344 3.359 20 0 EGADLP CC(C)(Cc1ccc(F)cc1)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001155968616 1380509011 /nfs/dbraw/zinc/50/90/11/1380509011.db2.gz LBSQCWIKTMWODG-UHFFFAOYSA-N 2 2 328.435 3.064 20 0 EGADLP COc1cc[nH+]c(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001156333201 1380560669 /nfs/dbraw/zinc/56/06/69/1380560669.db2.gz WNPZPUGVQOPMTE-LPHOPBHVSA-N 2 2 325.456 3.437 20 0 EGADLP COc1cc[nH+]c(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001156333201 1380560670 /nfs/dbraw/zinc/56/06/70/1380560670.db2.gz WNPZPUGVQOPMTE-LPHOPBHVSA-N 2 2 325.456 3.437 20 0 EGADLP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156618090 1380600469 /nfs/dbraw/zinc/60/04/69/1380600469.db2.gz XVWHVSGNEDGCIS-OAHLLOKOSA-N 2 2 348.535 3.304 20 0 EGADLP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156618090 1380600470 /nfs/dbraw/zinc/60/04/70/1380600470.db2.gz XVWHVSGNEDGCIS-OAHLLOKOSA-N 2 2 348.535 3.304 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC001328185177 1388686192 /nfs/dbraw/zinc/68/61/92/1388686192.db2.gz NKSPGHPKVWUQJG-KRWDZBQOSA-N 2 2 334.504 3.407 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)nc3cc(Cl)ccc32)CC1 ZINC001157915439 1381069882 /nfs/dbraw/zinc/06/98/82/1381069882.db2.gz WYSULFNEIKHNOI-UHFFFAOYSA-N 2 2 338.242 3.136 20 0 EGADLP Cc1cccc(CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C2CC2)c1C ZINC001158041573 1381109654 /nfs/dbraw/zinc/10/96/54/1381109654.db2.gz MEVSJYWGUGFESB-UHFFFAOYSA-N 2 2 336.483 3.277 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001158107356 1381129977 /nfs/dbraw/zinc/12/99/77/1381129977.db2.gz LCDZYKYBWUCLEY-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001158107356 1381129983 /nfs/dbraw/zinc/12/99/83/1381129983.db2.gz LCDZYKYBWUCLEY-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cc2[nH]ccc2c[nH+]1 ZINC001158134685 1381137629 /nfs/dbraw/zinc/13/76/29/1381137629.db2.gz BTPCRKRBHOPKSA-UHFFFAOYSA-N 2 2 325.803 3.447 20 0 EGADLP CCOC(=O)Cc1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001158266835 1381178421 /nfs/dbraw/zinc/17/84/21/1381178421.db2.gz USRKZHOFCPFLPW-DNVCBOLYSA-N 2 2 333.476 3.143 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806693 1381408498 /nfs/dbraw/zinc/40/84/98/1381408498.db2.gz QDKGHUFDSNPPEC-LJQANCHMSA-N 2 2 348.535 3.102 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806693 1381408507 /nfs/dbraw/zinc/40/85/07/1381408507.db2.gz QDKGHUFDSNPPEC-LJQANCHMSA-N 2 2 348.535 3.102 20 0 EGADLP C[C@@H](F)CC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492694 1382123179 /nfs/dbraw/zinc/12/31/79/1382123179.db2.gz ZHHMYRQDYBAARA-CQSZACIVSA-N 2 2 344.434 3.063 20 0 EGADLP C[C@@H](F)CC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492694 1382123182 /nfs/dbraw/zinc/12/31/82/1382123182.db2.gz ZHHMYRQDYBAARA-CQSZACIVSA-N 2 2 344.434 3.063 20 0 EGADLP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C(C)(C)C)CC2)cc1 ZINC001160596010 1382149980 /nfs/dbraw/zinc/14/99/80/1382149980.db2.gz KHIMQILAIPGGGC-SFHVURJKSA-N 2 2 345.531 3.002 20 0 EGADLP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665829 1382165054 /nfs/dbraw/zinc/16/50/54/1382165054.db2.gz JNIUGZNVIZRHBV-INIZCTEOSA-N 2 2 340.471 3.132 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665829 1382165059 /nfs/dbraw/zinc/16/50/59/1382165059.db2.gz JNIUGZNVIZRHBV-INIZCTEOSA-N 2 2 340.471 3.132 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161207855 1382342269 /nfs/dbraw/zinc/34/22/69/1382342269.db2.gz YLIASJHPTDKULL-UHFFFAOYSA-N 2 2 333.476 3.407 20 0 EGADLP CSc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)cc(C)[nH+]1 ZINC001161240965 1382351753 /nfs/dbraw/zinc/35/17/53/1382351753.db2.gz MBLSRODGKFAXSP-UHFFFAOYSA-N 2 2 343.500 3.226 20 0 EGADLP Cc1cc(NC2(Cc3ccccn3)CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC001161496253 1382422641 /nfs/dbraw/zinc/42/26/41/1382422641.db2.gz DZGDNHRDUJNJNE-UHFFFAOYSA-N 2 2 325.460 3.080 20 0 EGADLP C[C@@H]([NH3+])c1nc2ccccc2n1-c1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001162779318 1382869093 /nfs/dbraw/zinc/86/90/93/1382869093.db2.gz XGCQPRQESYNRMO-LLVKDONJSA-N 2 2 330.382 3.385 20 0 EGADLP CC(C)CCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163472529 1383059595 /nfs/dbraw/zinc/05/95/95/1383059595.db2.gz HJYGPPKSVRSODI-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001165159821 1383239381 /nfs/dbraw/zinc/23/93/81/1383239381.db2.gz PHAZUNKGAHYEPC-UHFFFAOYSA-N 2 2 345.878 3.369 20 0 EGADLP C[N@@H+]1CCC[C@H](CCNc2c(Br)ccc3[nH+]ccn32)C1 ZINC001165300267 1383269162 /nfs/dbraw/zinc/26/91/62/1383269162.db2.gz KCQZDIZLRAZFRT-GFCCVEGCSA-N 2 2 337.265 3.241 20 0 EGADLP C[N@H+]1CCC[C@H](CCNc2c(Br)ccc3[nH+]ccn32)C1 ZINC001165300267 1383269164 /nfs/dbraw/zinc/26/91/64/1383269164.db2.gz KCQZDIZLRAZFRT-GFCCVEGCSA-N 2 2 337.265 3.241 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)cc3ccc(F)cc31)CC[NH2+]CC2 ZINC001165351828 1383280274 /nfs/dbraw/zinc/28/02/74/1383280274.db2.gz KXWZBXXTDSQCSF-UHFFFAOYSA-N 2 2 330.794 3.210 20 0 EGADLP Cc1cc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001165668896 1383322013 /nfs/dbraw/zinc/32/20/13/1383322013.db2.gz GIZZYDCQNMIYFS-MRXNPFEDSA-N 2 2 346.519 3.424 20 0 EGADLP Cc1cc(C)[nH+]c(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001165738867 1383336912 /nfs/dbraw/zinc/33/69/12/1383336912.db2.gz ORGITHMCBVSBRM-QGZVFWFLSA-N 2 2 349.438 3.005 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2(C[NH2+]C/C=C\Cl)CC2)c(C)[nH+]1 ZINC001166301888 1383410197 /nfs/dbraw/zinc/41/01/97/1383410197.db2.gz RTVZVEZTFDZPGX-YWEYNIOJSA-N 2 2 335.879 3.249 20 0 EGADLP Cc1cc([NH2+]CC2CC[NH+](C(C)C)CC2)ccc1N1CCOCC1 ZINC001166622880 1383448640 /nfs/dbraw/zinc/44/86/40/1383448640.db2.gz JHRXCOXFOCPVCS-UHFFFAOYSA-N 2 2 331.504 3.364 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167421886 1383629277 /nfs/dbraw/zinc/62/92/77/1383629277.db2.gz AQWKMHVTGHSUFR-IAGOWNOFSA-N 2 2 348.535 3.147 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167421886 1383629281 /nfs/dbraw/zinc/62/92/81/1383629281.db2.gz AQWKMHVTGHSUFR-IAGOWNOFSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@H]1CC([NH+]2CCN(CCF)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064178 1383807841 /nfs/dbraw/zinc/80/78/41/1383807841.db2.gz OUBPOTTXBDAPJW-ROUUACIJSA-N 2 2 333.495 3.015 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001168370877 1383886448 /nfs/dbraw/zinc/88/64/48/1383886448.db2.gz HPBXYDOWCTXZRQ-KRWDZBQOSA-N 2 2 343.298 3.491 20 0 EGADLP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1-n1cc[nH+]c1 ZINC001306513764 1383894733 /nfs/dbraw/zinc/89/47/33/1383894733.db2.gz CXWFLWXHGVQJFG-KRWDZBQOSA-N 2 2 326.444 3.384 20 0 EGADLP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)ccc1-n1cc[nH+]c1 ZINC001306513764 1383894737 /nfs/dbraw/zinc/89/47/37/1383894737.db2.gz CXWFLWXHGVQJFG-KRWDZBQOSA-N 2 2 326.444 3.384 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001168486699 1383921002 /nfs/dbraw/zinc/92/10/02/1383921002.db2.gz MZVKTTQRLNIPAW-BHIYHBOVSA-N 2 2 339.458 3.216 20 0 EGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828520 1384022580 /nfs/dbraw/zinc/02/25/80/1384022580.db2.gz HPXZCOYNXVFLHK-HRCADAONSA-N 2 2 339.524 3.237 20 0 EGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828520 1384022585 /nfs/dbraw/zinc/02/25/85/1384022585.db2.gz HPXZCOYNXVFLHK-HRCADAONSA-N 2 2 339.524 3.237 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093507 1384105899 /nfs/dbraw/zinc/10/58/99/1384105899.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 3 2 339.527 3.397 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169093507 1384105901 /nfs/dbraw/zinc/10/59/01/1384105901.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169093507 1384105902 /nfs/dbraw/zinc/10/59/02/1384105902.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169093507 1384105903 /nfs/dbraw/zinc/10/59/03/1384105903.db2.gz IGCUCRDVHKXZSS-AGGBGYSWSA-N 3 2 339.527 3.397 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cs1 ZINC001308197392 1384108148 /nfs/dbraw/zinc/10/81/48/1384108148.db2.gz PWYROVYCFVUGFQ-GJZGRUSLSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169108530 1384108382 /nfs/dbraw/zinc/10/83/82/1384108382.db2.gz ARZLZYHKJVWRGC-ACDBMABISA-N 2 2 345.506 3.313 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169108530 1384108383 /nfs/dbraw/zinc/10/83/83/1384108383.db2.gz ARZLZYHKJVWRGC-ACDBMABISA-N 2 2 345.506 3.313 20 0 EGADLP Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169125570 1384110169 /nfs/dbraw/zinc/11/01/69/1384110169.db2.gz IZFMGFMAMOMXEY-PIIMJCKOSA-N 2 2 333.907 3.396 20 0 EGADLP Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125570 1384110170 /nfs/dbraw/zinc/11/01/70/1384110170.db2.gz IZFMGFMAMOMXEY-PIIMJCKOSA-N 2 2 333.907 3.396 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122927 1384110599 /nfs/dbraw/zinc/11/05/99/1384110599.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122927 1384110600 /nfs/dbraw/zinc/11/06/00/1384110600.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122927 1384110602 /nfs/dbraw/zinc/11/06/02/1384110602.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122927 1384110604 /nfs/dbraw/zinc/11/06/04/1384110604.db2.gz GGOWZQSDIQEKJP-QNDFHXLGSA-N 3 2 327.516 3.112 20 0 EGADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148098 1384114713 /nfs/dbraw/zinc/11/47/13/1384114713.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 3 2 327.516 3.066 20 0 EGADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148098 1384114714 /nfs/dbraw/zinc/11/47/14/1384114714.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148098 1384114715 /nfs/dbraw/zinc/11/47/15/1384114715.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148098 1384114716 /nfs/dbraw/zinc/11/47/16/1384114716.db2.gz YSAMTNNOEGSPCT-BURNTYAHSA-N 3 2 327.516 3.066 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152963 1384115792 /nfs/dbraw/zinc/11/57/92/1384115792.db2.gz GUIKGXZCJYVEOL-IJTOGUNISA-N 2 2 349.519 3.085 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152963 1384115794 /nfs/dbraw/zinc/11/57/94/1384115794.db2.gz GUIKGXZCJYVEOL-IJTOGUNISA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152963 1384115796 /nfs/dbraw/zinc/11/57/96/1384115796.db2.gz GUIKGXZCJYVEOL-IJTOGUNISA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152963 1384115798 /nfs/dbraw/zinc/11/57/98/1384115798.db2.gz GUIKGXZCJYVEOL-IJTOGUNISA-N 2 2 349.519 3.085 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001169264512 1384129292 /nfs/dbraw/zinc/12/92/92/1384129292.db2.gz GLQDDTQZDAQQGQ-UHFFFAOYSA-N 3 2 327.516 3.069 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169734071 1384180314 /nfs/dbraw/zinc/18/03/14/1384180314.db2.gz XYYBJVMJHUULLF-UYAOXDASSA-N 2 2 343.515 3.001 20 0 EGADLP CC[C@@H]1CC([NH2+][C@H](C)C[NH+](C)C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170460107 1384324518 /nfs/dbraw/zinc/32/45/18/1384324518.db2.gz BSOZLDLJHUPVPU-DJIMGWMZSA-N 2 2 341.540 3.483 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001170471941 1384326053 /nfs/dbraw/zinc/32/60/53/1384326053.db2.gz JBPZJCPEENWUER-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471318 1384326312 /nfs/dbraw/zinc/32/63/12/1384326312.db2.gz BAZNMAVLNLGQBL-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]cn([C@@H]2CCc3cc(F)cc(F)c3C2)c1CSCC[NH3+] ZINC001170674500 1384362277 /nfs/dbraw/zinc/36/22/77/1384362277.db2.gz PWGPTQCNYNOJFX-CQSZACIVSA-N 2 2 337.439 3.392 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H]3CCC[NH+](C)[C@@H]3C1)CC2 ZINC001171325880 1384494924 /nfs/dbraw/zinc/49/49/24/1384494924.db2.gz GCAGLRVKHJUQTJ-HBUWYVDXSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3CCC[NH+](C)[C@@H]3C1)CC2 ZINC001171325880 1384494926 /nfs/dbraw/zinc/49/49/26/1384494926.db2.gz GCAGLRVKHJUQTJ-HBUWYVDXSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3CCC[N@H+](C)[C@@H]3C1)CC2 ZINC001171325880 1384494928 /nfs/dbraw/zinc/49/49/28/1384494928.db2.gz GCAGLRVKHJUQTJ-HBUWYVDXSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3CCC[N@@H+](C)[C@@H]3C1)CC2 ZINC001171325880 1384494930 /nfs/dbraw/zinc/49/49/30/1384494930.db2.gz GCAGLRVKHJUQTJ-HBUWYVDXSA-N 2 2 334.891 3.232 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001171407304 1384514489 /nfs/dbraw/zinc/51/44/89/1384514489.db2.gz CIKKAHMGIROOBD-DLBZAZTESA-N 2 2 340.487 3.095 20 0 EGADLP Fc1cccc2c1CC[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001171442246 1384525081 /nfs/dbraw/zinc/52/50/81/1384525081.db2.gz OKAOUSDCTHTJPP-KRWDZBQOSA-N 2 2 325.431 3.337 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486231 1384537802 /nfs/dbraw/zinc/53/78/02/1384537802.db2.gz JKDAQKZWTJEFIA-RTRPANQVSA-N 2 2 347.503 3.254 20 0 EGADLP C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527399 1384551837 /nfs/dbraw/zinc/55/18/37/1384551837.db2.gz MTFFXAXRCNSIDU-IRBQFCFKSA-N 2 2 334.851 3.194 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171576836 1384569149 /nfs/dbraw/zinc/56/91/49/1384569149.db2.gz KGRHPUZNBFUTEU-WMZOPIPTSA-N 2 2 348.535 3.146 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171606334 1384577798 /nfs/dbraw/zinc/57/77/98/1384577798.db2.gz UKIJXMUGGZYAAK-MSOLQXFVSA-N 2 2 348.535 3.290 20 0 EGADLP CCOC(=O)C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccnc1 ZINC001171623199 1384582791 /nfs/dbraw/zinc/58/27/91/1384582791.db2.gz ODLFOKHBSJCZLL-QGZVFWFLSA-N 2 2 347.503 3.317 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797660 1384641050 /nfs/dbraw/zinc/64/10/50/1384641050.db2.gz XHDJDLZSXUGZHD-NQIIRXRSSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797660 1384641052 /nfs/dbraw/zinc/64/10/52/1384641052.db2.gz XHDJDLZSXUGZHD-NQIIRXRSSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797660 1384641056 /nfs/dbraw/zinc/64/10/56/1384641056.db2.gz XHDJDLZSXUGZHD-NQIIRXRSSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797660 1384641060 /nfs/dbraw/zinc/64/10/60/1384641060.db2.gz XHDJDLZSXUGZHD-NQIIRXRSSA-N 2 2 346.490 3.116 20 0 EGADLP CC[C@@H](C[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001171861015 1384663967 /nfs/dbraw/zinc/66/39/67/1384663967.db2.gz WXOAGGOWLNIORK-QAPCUYQASA-N 2 2 349.519 3.310 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896044 1384673065 /nfs/dbraw/zinc/67/30/65/1384673065.db2.gz IMIDOXYCOFONOB-MJRGOJFPSA-N 2 2 348.535 3.364 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963919 1384696959 /nfs/dbraw/zinc/69/69/59/1384696959.db2.gz FUILUDOFGYUANY-SFHVURJKSA-N 3 2 326.488 3.308 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963919 1384696964 /nfs/dbraw/zinc/69/69/64/1384696964.db2.gz FUILUDOFGYUANY-SFHVURJKSA-N 3 2 326.488 3.308 20 0 EGADLP COc1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984414 1384703423 /nfs/dbraw/zinc/70/34/23/1384703423.db2.gz VOMVCCYAPRJZCC-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP COc1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984414 1384703424 /nfs/dbraw/zinc/70/34/24/1384703424.db2.gz VOMVCCYAPRJZCC-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119046 1384733622 /nfs/dbraw/zinc/73/36/22/1384733622.db2.gz RSYAAWYYUSYUAA-FCGDIQPGSA-N 3 2 349.563 3.013 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119046 1384733625 /nfs/dbraw/zinc/73/36/25/1384733625.db2.gz RSYAAWYYUSYUAA-FCGDIQPGSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119046 1384733626 /nfs/dbraw/zinc/73/36/26/1384733626.db2.gz RSYAAWYYUSYUAA-FCGDIQPGSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119046 1384733628 /nfs/dbraw/zinc/73/36/28/1384733628.db2.gz RSYAAWYYUSYUAA-FCGDIQPGSA-N 3 2 349.563 3.013 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172204381 1384747773 /nfs/dbraw/zinc/74/77/73/1384747773.db2.gz AUWRCOFKVBZEMY-RBUKOAKNSA-N 2 2 346.540 3.279 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172204381 1384747775 /nfs/dbraw/zinc/74/77/75/1384747775.db2.gz AUWRCOFKVBZEMY-RBUKOAKNSA-N 2 2 346.540 3.279 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172221938 1384751009 /nfs/dbraw/zinc/75/10/09/1384751009.db2.gz DENBAPKFMNQFOR-IHWFROFDSA-N 2 2 332.463 3.398 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2F)CC1 ZINC001172246781 1384754931 /nfs/dbraw/zinc/75/49/31/1384754931.db2.gz ULEIXXRHSOYEFU-UHFFFAOYSA-N 2 2 332.822 3.209 20 0 EGADLP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172630268 1384823412 /nfs/dbraw/zinc/82/34/12/1384823412.db2.gz BKAZLIBTUHXHAN-YESZJQIVSA-N 2 2 341.540 3.484 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722681 1384838006 /nfs/dbraw/zinc/83/80/06/1384838006.db2.gz ZMROAJDINBWIHG-UXHICEINSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722681 1384838008 /nfs/dbraw/zinc/83/80/08/1384838008.db2.gz ZMROAJDINBWIHG-UXHICEINSA-N 2 2 348.918 3.382 20 0 EGADLP COCC[N@H+]([C@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172869264 1384869467 /nfs/dbraw/zinc/86/94/67/1384869467.db2.gz YFHKVCAAIHVXOL-CQSZACIVSA-N 2 2 342.886 3.453 20 0 EGADLP COCC[N@@H+]([C@H](C)Cc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001172869264 1384869469 /nfs/dbraw/zinc/86/94/69/1384869469.db2.gz YFHKVCAAIHVXOL-CQSZACIVSA-N 2 2 342.886 3.453 20 0 EGADLP c1coc(C[N@H+]2C[C@H]3C[C@H](C[NH+]([C@@H]4CCc5ncsc5C4)C3)C2)c1 ZINC001173138932 1384922463 /nfs/dbraw/zinc/92/24/63/1384922463.db2.gz QHBXIGANGTZDCG-OWCLPIDISA-N 2 2 343.496 3.047 20 0 EGADLP c1coc(C[N@@H+]2C[C@H]3C[C@H](C[NH+]([C@@H]4CCc5ncsc5C4)C3)C2)c1 ZINC001173138932 1384922465 /nfs/dbraw/zinc/92/24/65/1384922465.db2.gz QHBXIGANGTZDCG-OWCLPIDISA-N 2 2 343.496 3.047 20 0 EGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+]([C@@H]2CCc4ncsc4C2)C3)c1 ZINC001173138932 1384922471 /nfs/dbraw/zinc/92/24/71/1384922471.db2.gz QHBXIGANGTZDCG-OWCLPIDISA-N 2 2 343.496 3.047 20 0 EGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+]([C@@H]2CCc4ncsc4C2)C3)c1 ZINC001173138932 1384922477 /nfs/dbraw/zinc/92/24/77/1384922477.db2.gz QHBXIGANGTZDCG-OWCLPIDISA-N 2 2 343.496 3.047 20 0 EGADLP CCc1ccc(C[C@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC001173242042 1384943840 /nfs/dbraw/zinc/94/38/40/1384943840.db2.gz COJWKCPEKMSCJL-KRWDZBQOSA-N 2 2 338.499 3.409 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC001173606269 1384987090 /nfs/dbraw/zinc/98/70/90/1384987090.db2.gz JNYVBOFCCJXDTB-URTYCYGZSA-N 2 2 334.504 3.105 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC001173606269 1384987091 /nfs/dbraw/zinc/98/70/91/1384987091.db2.gz JNYVBOFCCJXDTB-URTYCYGZSA-N 2 2 334.504 3.105 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001173641165 1384993965 /nfs/dbraw/zinc/99/39/65/1384993965.db2.gz OGPVLVCHKOLYTG-JKSUJKDBSA-N 2 2 332.444 3.047 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173638276 1384994129 /nfs/dbraw/zinc/99/41/29/1384994129.db2.gz XTMSVHOQLGRGGY-ROUUACIJSA-N 2 2 345.487 3.010 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001317407337 1385119386 /nfs/dbraw/zinc/11/93/86/1385119386.db2.gz DKAVTYVDSFBPMQ-JKSUJKDBSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001174582048 1385122522 /nfs/dbraw/zinc/12/25/22/1385122522.db2.gz YQLURRAXLVLFRW-QGZVFWFLSA-N 2 2 336.524 3.364 20 0 EGADLP C[C@@H]1CCc2cc(N)ccc2[N@@H+]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174816358 1385154281 /nfs/dbraw/zinc/15/42/81/1385154281.db2.gz ZXMYOFJHAXXNQU-MRXNPFEDSA-N 2 2 336.483 3.493 20 0 EGADLP C[C@@H]1CCc2cc(N)ccc2[N@H+]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174816358 1385154282 /nfs/dbraw/zinc/15/42/82/1385154282.db2.gz ZXMYOFJHAXXNQU-MRXNPFEDSA-N 2 2 336.483 3.493 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1cccc(F)c1 ZINC001175468527 1385300617 /nfs/dbraw/zinc/30/06/17/1385300617.db2.gz GJPNYNMSJSVMNJ-LSDHHAIUSA-N 2 2 346.450 3.117 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317552746 1385314698 /nfs/dbraw/zinc/31/46/98/1385314698.db2.gz BLXKYSDCBGAADM-OAHLLOKOSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317552746 1385314702 /nfs/dbraw/zinc/31/47/02/1385314702.db2.gz BLXKYSDCBGAADM-OAHLLOKOSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175639309 1385360532 /nfs/dbraw/zinc/36/05/32/1385360532.db2.gz YGJMFZGUNLVIGA-IAGOWNOFSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175639309 1385360546 /nfs/dbraw/zinc/36/05/46/1385360546.db2.gz YGJMFZGUNLVIGA-IAGOWNOFSA-N 2 2 348.535 3.433 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001175881323 1385428893 /nfs/dbraw/zinc/42/88/93/1385428893.db2.gz OBEOIMXIDJMFSH-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP C[N@H+](C/C=C\Cl)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317876288 1385555880 /nfs/dbraw/zinc/55/58/80/1385555880.db2.gz DTVZQBRHEFMMOY-KXFIGUGUSA-N 2 2 346.862 3.099 20 0 EGADLP C[N@@H+](C/C=C\Cl)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001317876288 1385555883 /nfs/dbraw/zinc/55/58/83/1385555883.db2.gz DTVZQBRHEFMMOY-KXFIGUGUSA-N 2 2 346.862 3.099 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402133 1385577270 /nfs/dbraw/zinc/57/72/70/1385577270.db2.gz QPAZBOKAIVCKFM-IPLHWJFFSA-N 2 2 348.535 3.364 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001176656465 1385648736 /nfs/dbraw/zinc/64/87/36/1385648736.db2.gz HFXLPBWAHDWYTM-UHFFFAOYSA-N 2 2 339.487 3.423 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176811050 1385710005 /nfs/dbraw/zinc/71/00/05/1385710005.db2.gz VYBRIRNZCNQFDR-SFHVURJKSA-N 2 2 336.524 3.364 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318473408 1385710020 /nfs/dbraw/zinc/71/00/20/1385710020.db2.gz NKEFAVYWZUJPRR-KRWDZBQOSA-N 2 2 334.508 3.091 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318473408 1385710025 /nfs/dbraw/zinc/71/00/25/1385710025.db2.gz NKEFAVYWZUJPRR-KRWDZBQOSA-N 2 2 334.508 3.091 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318473408 1385710027 /nfs/dbraw/zinc/71/00/27/1385710027.db2.gz NKEFAVYWZUJPRR-KRWDZBQOSA-N 2 2 334.508 3.091 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318473408 1385710031 /nfs/dbraw/zinc/71/00/31/1385710031.db2.gz NKEFAVYWZUJPRR-KRWDZBQOSA-N 2 2 334.508 3.091 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CCCn1cc[nH+]c1 ZINC001176811051 1385710535 /nfs/dbraw/zinc/71/05/35/1385710535.db2.gz WBLZFHDEQVVLBB-INIZCTEOSA-N 2 2 348.516 3.190 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CSc1ccc(F)cc1 ZINC001318498953 1385727720 /nfs/dbraw/zinc/72/77/20/1385727720.db2.gz XESZUDMETSOODM-UHFFFAOYSA-N 2 2 342.399 3.446 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318530704 1385739129 /nfs/dbraw/zinc/73/91/29/1385739129.db2.gz QJUNUQJABRMRQZ-CJNGLKHVSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318530704 1385739133 /nfs/dbraw/zinc/73/91/33/1385739133.db2.gz QJUNUQJABRMRQZ-CJNGLKHVSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001318592101 1385776076 /nfs/dbraw/zinc/77/60/76/1385776076.db2.gz SCLSQXKSJDNOHB-QAPCUYQASA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001177412512 1385946751 /nfs/dbraw/zinc/94/67/51/1385946751.db2.gz FICZZNVSADDJSG-KRWDZBQOSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177492194 1385977264 /nfs/dbraw/zinc/97/72/64/1385977264.db2.gz CMUXHQGMMSHMNJ-UHFFFAOYSA-N 2 2 348.535 3.462 20 0 EGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001319551930 1386175200 /nfs/dbraw/zinc/17/52/00/1386175200.db2.gz JQLOSKHDUSQIGA-GOSISDBHSA-N 2 2 327.472 3.370 20 0 EGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC001319551930 1386175203 /nfs/dbraw/zinc/17/52/03/1386175203.db2.gz JQLOSKHDUSQIGA-GOSISDBHSA-N 2 2 327.472 3.370 20 0 EGADLP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001319575183 1386186739 /nfs/dbraw/zinc/18/67/39/1386186739.db2.gz AYPPTBHGKWIYIF-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001178345125 1386193426 /nfs/dbraw/zinc/19/34/26/1386193426.db2.gz CAORDHHTZAPPPE-KURKYZTESA-N 2 2 346.519 3.045 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([C@H](C)[NH2+]CC(C)C)C3)ccn12 ZINC001319804965 1386304527 /nfs/dbraw/zinc/30/45/27/1386304527.db2.gz FVKKQSIYWXMCQD-WMZOPIPTSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808828 1386313492 /nfs/dbraw/zinc/31/34/92/1386313492.db2.gz VTHJMEYNQPWCAA-UHFFFAOYSA-N 2 2 334.508 3.159 20 0 EGADLP CC(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179557584 1386513421 /nfs/dbraw/zinc/51/34/21/1386513421.db2.gz GCKVDMPYGQELLM-MRXNPFEDSA-N 2 2 334.508 3.142 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179557186 1386513762 /nfs/dbraw/zinc/51/37/62/1386513762.db2.gz CDOPKJXVMDWPPU-JKSUJKDBSA-N 2 2 334.508 3.142 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777477 1386581824 /nfs/dbraw/zinc/58/18/24/1386581824.db2.gz XIGREUMPCGPFKA-MRXNPFEDSA-N 2 2 334.508 3.045 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777477 1386581827 /nfs/dbraw/zinc/58/18/27/1386581827.db2.gz XIGREUMPCGPFKA-MRXNPFEDSA-N 2 2 334.508 3.045 20 0 EGADLP O=c1[nH]c2cc(F)ccc2cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001179850147 1386606490 /nfs/dbraw/zinc/60/64/90/1386606490.db2.gz RSOYXEHCVJCAJI-CYBMUJFWSA-N 2 2 326.375 3.182 20 0 EGADLP O=c1[nH]c2cc(F)ccc2cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001179850147 1386606494 /nfs/dbraw/zinc/60/64/94/1386606494.db2.gz RSOYXEHCVJCAJI-CYBMUJFWSA-N 2 2 326.375 3.182 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320438812 1386610193 /nfs/dbraw/zinc/61/01/93/1386610193.db2.gz HRLLTAZATJYOBE-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320438812 1386610196 /nfs/dbraw/zinc/61/01/96/1386610196.db2.gz HRLLTAZATJYOBE-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001179902812 1386623273 /nfs/dbraw/zinc/62/32/73/1386623273.db2.gz RXSCPFDSMKQJRP-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181786909 1387055422 /nfs/dbraw/zinc/05/54/22/1387055422.db2.gz OHNKDXOAKMWNKU-WOCWXWTJSA-N 2 2 346.519 3.168 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181786909 1387055425 /nfs/dbraw/zinc/05/54/25/1387055425.db2.gz OHNKDXOAKMWNKU-WOCWXWTJSA-N 2 2 346.519 3.168 20 0 EGADLP CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181902966 1387073432 /nfs/dbraw/zinc/07/34/32/1387073432.db2.gz CHBYZVZNCSVOMZ-FOIQADDNSA-N 2 2 342.487 3.297 20 0 EGADLP C[C@H](C[N@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169591 1387086479 /nfs/dbraw/zinc/08/64/79/1387086479.db2.gz RKUGILBITUPKGE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169591 1387086483 /nfs/dbraw/zinc/08/64/83/1387086483.db2.gz RKUGILBITUPKGE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169591 1387086490 /nfs/dbraw/zinc/08/64/90/1387086490.db2.gz RKUGILBITUPKGE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169591 1387086492 /nfs/dbraw/zinc/08/64/92/1387086492.db2.gz RKUGILBITUPKGE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182874167 1387238283 /nfs/dbraw/zinc/23/82/83/1387238283.db2.gz PDZKUQXMXBYEIT-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CCCCCC2)[nH+]1 ZINC001322860739 1387247951 /nfs/dbraw/zinc/24/79/51/1387247951.db2.gz FAWLKSYRKWFQQA-SFHVURJKSA-N 2 2 344.503 3.105 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NC2CCCCCC2)[nH+]1 ZINC001322860739 1387247957 /nfs/dbraw/zinc/24/79/57/1387247957.db2.gz FAWLKSYRKWFQQA-SFHVURJKSA-N 2 2 344.503 3.105 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)ncc1Br ZINC001329710499 1389206130 /nfs/dbraw/zinc/20/61/30/1389206130.db2.gz LRVJJUDJQYDDMZ-GXTWGEPZSA-N 2 2 326.282 3.115 20 0 EGADLP Cc1ccc(C[N@@H+]2CCCN(Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC001337236415 1389283165 /nfs/dbraw/zinc/28/31/65/1389283165.db2.gz AQERXFDSGVHXTD-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1ccc(C[N@H+]2CCCN(Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC001337236415 1389283167 /nfs/dbraw/zinc/28/31/67/1389283167.db2.gz AQERXFDSGVHXTD-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC001332845025 1390199766 /nfs/dbraw/zinc/19/97/66/1390199766.db2.gz SJPQGBLLRLBHTR-VQTJNVASSA-N 2 2 331.479 3.401 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC001332845025 1390199767 /nfs/dbraw/zinc/19/97/67/1390199767.db2.gz SJPQGBLLRLBHTR-VQTJNVASSA-N 2 2 331.479 3.401 20 0 EGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccccn2)nc(C2CCC2)[nH+]1 ZINC001334173704 1390493251 /nfs/dbraw/zinc/49/32/51/1390493251.db2.gz SFBFSROSZYCZMC-UHFFFAOYSA-N 2 2 325.460 3.016 20 0 EGADLP C[C@@H]1C[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[NH2+]1 ZINC001341659125 1390515027 /nfs/dbraw/zinc/51/50/27/1390515027.db2.gz MWOICDOAEGTFBB-GDBMZVCRSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2c(F)cccc2F)[nH+]1 ZINC001335063513 1390637014 /nfs/dbraw/zinc/63/70/14/1390637014.db2.gz ZVQZRDFNQDLYCD-YOEHRIQHSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)c2c(F)cccc2F)[nH+]1 ZINC001335063513 1390637016 /nfs/dbraw/zinc/63/70/16/1390637016.db2.gz ZVQZRDFNQDLYCD-YOEHRIQHSA-N 2 2 347.409 3.278 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)nc1 ZINC001335466739 1390687878 /nfs/dbraw/zinc/68/78/78/1390687878.db2.gz PUOFTSDEEGAZGN-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480731402 1392895105 /nfs/dbraw/zinc/89/51/05/1392895105.db2.gz UYFWEMBVYNJUON-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480731402 1392895107 /nfs/dbraw/zinc/89/51/07/1392895107.db2.gz UYFWEMBVYNJUON-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001482232158 1394826860 /nfs/dbraw/zinc/82/68/60/1394826860.db2.gz BXWNQJZSJQCELI-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001482232158 1394826867 /nfs/dbraw/zinc/82/68/67/1394826867.db2.gz BXWNQJZSJQCELI-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001492090291 1396303678 /nfs/dbraw/zinc/30/36/78/1396303678.db2.gz QZHJCNRQBVYPAN-ROUUACIJSA-N 2 2 342.487 3.136 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCC2)c1 ZINC001495192896 1396522494 /nfs/dbraw/zinc/52/24/94/1396522494.db2.gz ZRTNZTGTWFIMNE-INIZCTEOSA-N 2 2 340.471 3.040 20 0 EGADLP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001725493706 1426171378 /nfs/dbraw/zinc/17/13/78/1426171378.db2.gz FYYZRHQBNFOCIT-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001691105070 1405043749 /nfs/dbraw/zinc/04/37/49/1405043749.db2.gz OXFKPIOXNVPDAD-OKILXGFUSA-N 2 2 343.393 3.057 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691453279 1405278248 /nfs/dbraw/zinc/27/82/48/1405278248.db2.gz WRSCUWKIZCURBR-YESZJQIVSA-N 2 2 342.487 3.115 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]C(C)C)c2ccccc2)c(C)[nH+]1 ZINC001691791729 1405502050 /nfs/dbraw/zinc/50/20/50/1405502050.db2.gz IWRIEZHQUOXXLO-SFHVURJKSA-N 2 2 325.456 3.476 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]C(C)C)c2ccccc2)c(C)[nH+]1 ZINC001691791728 1405502351 /nfs/dbraw/zinc/50/23/51/1405502351.db2.gz IWRIEZHQUOXXLO-GOSISDBHSA-N 2 2 325.456 3.476 20 0 EGADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001732222409 1428471118 /nfs/dbraw/zinc/47/11/18/1428471118.db2.gz JQBMOOPJZLBBDE-YJBOKZPZSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)cc2C)c(C)[nH+]1 ZINC001699413996 1412727481 /nfs/dbraw/zinc/72/74/81/1412727481.db2.gz RRSLHCUVEJLNFG-HNNXBMFYSA-N 2 2 343.446 3.362 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461481 1414061056 /nfs/dbraw/zinc/06/10/56/1414061056.db2.gz QBSKBAZYYFJUDC-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461481 1414061060 /nfs/dbraw/zinc/06/10/60/1414061060.db2.gz QBSKBAZYYFJUDC-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461481 1414061067 /nfs/dbraw/zinc/06/10/67/1414061067.db2.gz QBSKBAZYYFJUDC-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461481 1414061072 /nfs/dbraw/zinc/06/10/72/1414061072.db2.gz QBSKBAZYYFJUDC-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP CC[NH2+]C1(CNC(=O)CC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001701012901 1414673702 /nfs/dbraw/zinc/67/37/02/1414673702.db2.gz RGNKFPRRIBNGFU-UHFFFAOYSA-N 2 2 345.531 3.183 20 0 EGADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713413861 1418037389 /nfs/dbraw/zinc/03/73/89/1418037389.db2.gz INQDBOFBPFAEAR-CABCVRRESA-N 2 2 348.878 3.172 20 0 EGADLP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@H]1C ZINC001714187237 1418994185 /nfs/dbraw/zinc/99/41/85/1418994185.db2.gz QTAYFJUPXSVCLJ-UZLBHIALSA-N 2 2 348.535 3.054 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001714866089 1419592906 /nfs/dbraw/zinc/59/29/06/1419592906.db2.gz HHMFBCMOGWQMTG-IBGZPJMESA-N 2 2 340.471 3.207 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001714866089 1419592909 /nfs/dbraw/zinc/59/29/09/1419592909.db2.gz HHMFBCMOGWQMTG-IBGZPJMESA-N 2 2 340.471 3.207 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1csc(C)c1 ZINC001715061309 1419800081 /nfs/dbraw/zinc/80/00/81/1419800081.db2.gz BRBNSVSXERNMFI-OAHLLOKOSA-N 2 2 342.468 3.231 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001715988479 1420445208 /nfs/dbraw/zinc/44/52/08/1420445208.db2.gz XYSGIFXXSLZAPZ-INIZCTEOSA-N 2 2 325.456 3.223 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716243076 1420579057 /nfs/dbraw/zinc/57/90/57/1420579057.db2.gz WOGVTNOYLCLHQW-MSOLQXFVSA-N 2 2 342.487 3.342 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001717003306 1421072593 /nfs/dbraw/zinc/07/25/93/1421072593.db2.gz URTNYBABJQMEKM-IYARVYRRSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125038 1421127252 /nfs/dbraw/zinc/12/72/52/1421127252.db2.gz XITLFFBUVFDWGY-KBAYOESNSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125038 1421127254 /nfs/dbraw/zinc/12/72/54/1421127254.db2.gz XITLFFBUVFDWGY-KBAYOESNSA-N 2 2 346.519 3.043 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001717281846 1421233294 /nfs/dbraw/zinc/23/32/94/1421233294.db2.gz RYNDZMLXPIZXKD-UGSOOPFHSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001723313215 1424346472 /nfs/dbraw/zinc/34/64/72/1424346472.db2.gz VIQJSWNGLCXXCQ-NVXWUHKLSA-N 2 2 342.487 3.115 20 0 EGADLP Cc1ccc(C[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CCC2)cc1 ZINC001724788259 1425155092 /nfs/dbraw/zinc/15/50/92/1425155092.db2.gz IAMVPOLBVBMONV-UHFFFAOYSA-N 2 2 348.450 3.085 20 0 EGADLP CN(CCC[N@H+](C)CC1CCCCCC1)C(=O)CCn1cc[nH+]c1 ZINC001724852514 1425218726 /nfs/dbraw/zinc/21/87/26/1425218726.db2.gz IKRNSDBMCYGTND-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP CN(CCC[N@@H+](C)CC1CCCCCC1)C(=O)CCn1cc[nH+]c1 ZINC001724852514 1425218730 /nfs/dbraw/zinc/21/87/30/1425218730.db2.gz IKRNSDBMCYGTND-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001731543290 1427556596 /nfs/dbraw/zinc/55/65/96/1427556596.db2.gz VWTUUNRDBLGRBD-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001731543290 1427556600 /nfs/dbraw/zinc/55/66/00/1427556600.db2.gz VWTUUNRDBLGRBD-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001731812834 1427998633 /nfs/dbraw/zinc/99/86/33/1427998633.db2.gz GLCJRPOWWABOMX-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001731812834 1427998636 /nfs/dbraw/zinc/99/86/36/1427998636.db2.gz GLCJRPOWWABOMX-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761722 1429977231 /nfs/dbraw/zinc/97/72/31/1429977231.db2.gz YQKCOYCJPDGFIY-FUHWJXTLSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761722 1429977236 /nfs/dbraw/zinc/97/72/36/1429977236.db2.gz YQKCOYCJPDGFIY-FUHWJXTLSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761722 1429977238 /nfs/dbraw/zinc/97/72/38/1429977238.db2.gz YQKCOYCJPDGFIY-FUHWJXTLSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761722 1429977242 /nfs/dbraw/zinc/97/72/42/1429977242.db2.gz YQKCOYCJPDGFIY-FUHWJXTLSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CC1 ZINC001734078156 1437865881 /nfs/dbraw/zinc/86/58/81/1437865881.db2.gz IRLRBGITKASLTR-QGZVFWFLSA-N 2 2 342.487 3.439 20 0 EGADLP CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CC(C)C)CC1 ZINC001752439024 1440180740 /nfs/dbraw/zinc/18/07/40/1440180740.db2.gz CDGPJESKTNCTLR-QGZVFWFLSA-N 2 2 334.508 3.193 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834409 1440226974 /nfs/dbraw/zinc/22/69/74/1440226974.db2.gz RPAPHPZFIGUDKW-DUFJLWIISA-N 2 2 344.503 3.154 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834409 1440226975 /nfs/dbraw/zinc/22/69/75/1440226975.db2.gz RPAPHPZFIGUDKW-DUFJLWIISA-N 2 2 344.503 3.154 20 0 EGADLP Cc1cccc(Cl)c1C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001752906630 1440244354 /nfs/dbraw/zinc/24/43/54/1440244354.db2.gz NNMBNKNKGFKMKJ-HUUCEWRRSA-N 2 2 348.878 3.091 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752962410 1440253494 /nfs/dbraw/zinc/25/34/94/1440253494.db2.gz DUBVOAHXROYEAB-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001752962409 1440253533 /nfs/dbraw/zinc/25/35/33/1440253533.db2.gz DUBVOAHXROYEAB-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030603 1440272704 /nfs/dbraw/zinc/27/27/04/1440272704.db2.gz AHQHMGQTAHYZKY-IRXDYDNUSA-N 2 2 342.487 3.355 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030603 1440272705 /nfs/dbraw/zinc/27/27/05/1440272705.db2.gz AHQHMGQTAHYZKY-IRXDYDNUSA-N 2 2 342.487 3.355 20 0 EGADLP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001753366990 1440385901 /nfs/dbraw/zinc/38/59/01/1440385901.db2.gz RZYINXNENYJNCZ-DLBZAZTESA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001753366990 1440385902 /nfs/dbraw/zinc/38/59/02/1440385902.db2.gz RZYINXNENYJNCZ-DLBZAZTESA-N 2 2 334.508 3.051 20 0 EGADLP CCCCCC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753407840 1440392316 /nfs/dbraw/zinc/39/23/16/1440392316.db2.gz YLVXGNLBBVVADZ-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753442487 1440402323 /nfs/dbraw/zinc/40/23/23/1440402323.db2.gz DHKKWIIWJQWRQT-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753442487 1440402324 /nfs/dbraw/zinc/40/23/24/1440402324.db2.gz DHKKWIIWJQWRQT-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753458548 1440409407 /nfs/dbraw/zinc/40/94/07/1440409407.db2.gz ILMVZDSQWBCDOS-HKUYNNGSSA-N 2 2 344.503 3.257 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753458548 1440409408 /nfs/dbraw/zinc/40/94/08/1440409408.db2.gz ILMVZDSQWBCDOS-HKUYNNGSSA-N 2 2 344.503 3.257 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001753622107 1440450719 /nfs/dbraw/zinc/45/07/19/1440450719.db2.gz VUMNPILDRKOMKY-OAHLLOKOSA-N 2 2 336.439 3.027 20 0 EGADLP Cc1cccn2cc(CC(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)[nH+]c12 ZINC001753719096 1440472642 /nfs/dbraw/zinc/47/26/42/1440472642.db2.gz XBXHJUXLVFNKLC-MRXNPFEDSA-N 2 2 344.503 3.058 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001753739325 1440478599 /nfs/dbraw/zinc/47/85/99/1440478599.db2.gz BDSKMXLYYNIPON-WMZOPIPTSA-N 2 2 342.487 3.142 20 0 EGADLP CN(CC[N@H+](C)C/C=C/c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001753858221 1440510119 /nfs/dbraw/zinc/51/01/19/1440510119.db2.gz RPKBINAUGLGVKY-JXMROGBWSA-N 2 2 348.450 3.052 20 0 EGADLP CN(CC[N@@H+](C)C/C=C/c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001753858221 1440510120 /nfs/dbraw/zinc/51/01/20/1440510120.db2.gz RPKBINAUGLGVKY-JXMROGBWSA-N 2 2 348.450 3.052 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]CC3=CCCCC3)ccn12 ZINC001753966805 1440526614 /nfs/dbraw/zinc/52/66/14/1440526614.db2.gz WHCVJVNVNBCRBP-HNNXBMFYSA-N 2 2 340.471 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C1C[NH+](C[C@@H](C)CC(C)C)C1)n1cc[nH+]c1 ZINC001754578339 1440638279 /nfs/dbraw/zinc/63/82/79/1440638279.db2.gz CXPRMYCUYQZLOC-PKOBYXMFSA-N 2 2 348.535 3.295 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001754614272 1440644170 /nfs/dbraw/zinc/64/41/70/1440644170.db2.gz ROGWRUWIRNYIBD-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001755108906 1440753972 /nfs/dbraw/zinc/75/39/72/1440753972.db2.gz NJRVAOLOHHHJEY-MAUKXSAKSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755242341 1440789616 /nfs/dbraw/zinc/78/96/16/1440789616.db2.gz BJPMBSLYFPQITN-HOTGVXAUSA-N 2 2 340.471 3.321 20 0 EGADLP Cc1cccn2cc(CC(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C)[nH+]c12 ZINC001755318778 1440817325 /nfs/dbraw/zinc/81/73/25/1440817325.db2.gz RRZOEGCRUHMKJY-INIZCTEOSA-N 2 2 344.503 3.058 20 0 EGADLP Cc1cccn2cc(CC(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C)[nH+]c12 ZINC001755318778 1440817326 /nfs/dbraw/zinc/81/73/26/1440817326.db2.gz RRZOEGCRUHMKJY-INIZCTEOSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755376580 1440838320 /nfs/dbraw/zinc/83/83/20/1440838320.db2.gz GMUYZDFSJPMHSS-OGZRUICASA-N 2 2 340.471 3.049 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413283 1440847230 /nfs/dbraw/zinc/84/72/30/1440847230.db2.gz WSRNJZHGDPJUON-VUROMXLHSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413283 1440847231 /nfs/dbraw/zinc/84/72/31/1440847231.db2.gz WSRNJZHGDPJUON-VUROMXLHSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413283 1440847232 /nfs/dbraw/zinc/84/72/32/1440847232.db2.gz WSRNJZHGDPJUON-VUROMXLHSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413283 1440847233 /nfs/dbraw/zinc/84/72/33/1440847233.db2.gz WSRNJZHGDPJUON-VUROMXLHSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)[C@@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CC1 ZINC001755550186 1440871793 /nfs/dbraw/zinc/87/17/93/1440871793.db2.gz VOBWLLDDDNEVPJ-LJQANCHMSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCC(C)CC1 ZINC001755592485 1440881786 /nfs/dbraw/zinc/88/17/86/1440881786.db2.gz FTTUFVCFZCEZRM-HWOWSKLDSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+][C@H]1CCc2ccccc21 ZINC001755595316 1440882511 /nfs/dbraw/zinc/88/25/11/1440882511.db2.gz MJSDOIDDSUROJG-YJBOKZPZSA-N 2 2 348.450 3.072 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001755718608 1440906294 /nfs/dbraw/zinc/90/62/94/1440906294.db2.gz NNIIHPZLPRTEJU-FUHWJXTLSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001755718608 1440906295 /nfs/dbraw/zinc/90/62/95/1440906295.db2.gz NNIIHPZLPRTEJU-FUHWJXTLSA-N 2 2 342.487 3.416 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)n1cc[nH+]c1 ZINC001755843699 1440932368 /nfs/dbraw/zinc/93/23/68/1440932368.db2.gz SCKBIKDALJXEQM-AEFFLSMTSA-N 2 2 334.508 3.095 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C2CC([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001755860432 1440936580 /nfs/dbraw/zinc/93/65/80/1440936580.db2.gz FWFLYRTXLMNHOD-UHFFFAOYSA-N 2 2 343.393 3.152 20 0 EGADLP C[C@H](CC(=O)NCC1=CC[N@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001755894349 1440942356 /nfs/dbraw/zinc/94/23/56/1440942356.db2.gz QFCCPJWCUOXNTM-QGZVFWFLSA-N 2 2 344.503 3.163 20 0 EGADLP C[C@H](CC(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001755894349 1440942357 /nfs/dbraw/zinc/94/23/57/1440942357.db2.gz QFCCPJWCUOXNTM-QGZVFWFLSA-N 2 2 344.503 3.163 20 0 EGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814667 720196269 /nfs/dbraw/zinc/19/62/69/720196269.db2.gz VWXUWSFTNMLQAR-WIYYLYMNSA-N 2 2 341.499 3.144 20 0 EGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814667 720196272 /nfs/dbraw/zinc/19/62/72/720196272.db2.gz VWXUWSFTNMLQAR-WIYYLYMNSA-N 2 2 341.499 3.144 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1N1CCCC1 ZINC001165046806 721964627 /nfs/dbraw/zinc/96/46/27/721964627.db2.gz OYDVKALZEGYASK-SFHVURJKSA-N 2 2 343.519 3.230 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000368453310 168358050 /nfs/dbraw/zinc/35/80/50/168358050.db2.gz FRWACOKGSPZLTE-GDBMZVCRSA-N 2 2 340.471 3.075 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1 ZINC000368552496 168371702 /nfs/dbraw/zinc/37/17/02/168371702.db2.gz YWRMYDYBVCACRA-WMLDXEAASA-N 2 2 333.505 3.093 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000368552496 168371703 /nfs/dbraw/zinc/37/17/03/168371703.db2.gz YWRMYDYBVCACRA-WMLDXEAASA-N 2 2 333.505 3.093 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000170709585 282149828 /nfs/dbraw/zinc/14/98/28/282149828.db2.gz YXYAYGHKWRRGQB-INIZCTEOSA-N 2 2 327.432 3.230 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cnn(C)c1 ZINC000177968669 529681640 /nfs/dbraw/zinc/68/16/40/529681640.db2.gz MKKZTWINAGPJKF-HXUWFJFHSA-N 2 2 326.488 3.168 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000068387063 215303534 /nfs/dbraw/zinc/30/35/34/215303534.db2.gz ZYQXLFKIIKBGTO-OAHLLOKOSA-N 2 2 336.439 3.194 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000187083907 236113855 /nfs/dbraw/zinc/11/38/55/236113855.db2.gz YRHQDLPQMUYPLR-KDOFPFPSSA-N 2 2 340.870 3.320 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1Cl ZINC000187083907 236113858 /nfs/dbraw/zinc/11/38/58/236113858.db2.gz YRHQDLPQMUYPLR-KDOFPFPSSA-N 2 2 340.870 3.320 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054356 213006721 /nfs/dbraw/zinc/00/67/21/213006721.db2.gz YBAIWRKDPBIBHQ-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(OC)c1 ZINC000130662584 223167866 /nfs/dbraw/zinc/16/78/66/223167866.db2.gz JNQBSDSGJJCXGV-CQSZACIVSA-N 2 2 325.412 3.245 20 0 EGADLP C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248556209 299341771 /nfs/dbraw/zinc/34/17/71/299341771.db2.gz IFKBEMVZEBKWGU-XKGZKEIXSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248556209 299341777 /nfs/dbraw/zinc/34/17/77/299341777.db2.gz IFKBEMVZEBKWGU-XKGZKEIXSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000193257467 240080093 /nfs/dbraw/zinc/08/00/93/240080093.db2.gz RFYKWTLUKBMHOZ-APWZRJJASA-N 2 2 325.456 3.334 20 0 EGADLP C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000193257467 240080101 /nfs/dbraw/zinc/08/01/01/240080101.db2.gz RFYKWTLUKBMHOZ-APWZRJJASA-N 2 2 325.456 3.334 20 0 EGADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CCC[NH+]1CCCC1 ZINC000236653069 242306644 /nfs/dbraw/zinc/30/66/44/242306644.db2.gz XBHAIURWSYCKCW-UHFFFAOYSA-N 2 2 345.468 3.114 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246378853 243238996 /nfs/dbraw/zinc/23/89/96/243238996.db2.gz NGAIFYKFSVTFEJ-HOTGVXAUSA-N 2 2 331.504 3.195 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246378853 243239000 /nfs/dbraw/zinc/23/90/00/243239000.db2.gz NGAIFYKFSVTFEJ-HOTGVXAUSA-N 2 2 331.504 3.195 20 0 EGADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000262507227 245008337 /nfs/dbraw/zinc/00/83/37/245008337.db2.gz BPGWCCHBXLDWQL-RYUDHWBXSA-N 2 2 340.402 3.215 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110821482 220068434 /nfs/dbraw/zinc/06/84/34/220068434.db2.gz FIXLMMUNFDGNRH-BLLLJJGKSA-N 2 2 334.261 3.181 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918286 247043742 /nfs/dbraw/zinc/04/37/42/247043742.db2.gz QIKDYDGNCQDDDR-MOPGFXCFSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918286 247043747 /nfs/dbraw/zinc/04/37/47/247043747.db2.gz QIKDYDGNCQDDDR-MOPGFXCFSA-N 2 2 337.423 3.231 20 0 EGADLP Cc1ccoc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000266217949 248181367 /nfs/dbraw/zinc/18/13/67/248181367.db2.gz QNNYYYLWPVOROV-HNNXBMFYSA-N 2 2 331.435 3.330 20 0 EGADLP CSc1cc2c(cc1C[NH2+]C1CC[NH+](C3CCC3)CC1)OCCO2 ZINC000266221510 248183792 /nfs/dbraw/zinc/18/37/92/248183792.db2.gz RLQNENJDVOJADK-UHFFFAOYSA-N 2 2 348.512 3.286 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000266531618 248348502 /nfs/dbraw/zinc/34/85/02/248348502.db2.gz FXDKKRHYPUZYNI-LLVKDONJSA-N 2 2 344.286 3.394 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043359 218109716 /nfs/dbraw/zinc/10/97/16/218109716.db2.gz HWZCQSSPXWQXMS-KDOFPFPSSA-N 2 2 328.435 3.132 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043359 218109718 /nfs/dbraw/zinc/10/97/18/218109718.db2.gz HWZCQSSPXWQXMS-KDOFPFPSSA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043359 218109720 /nfs/dbraw/zinc/10/97/20/218109720.db2.gz HWZCQSSPXWQXMS-KDOFPFPSSA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043359 218109721 /nfs/dbraw/zinc/10/97/21/218109721.db2.gz HWZCQSSPXWQXMS-KDOFPFPSSA-N 2 2 328.435 3.132 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092659279 218157157 /nfs/dbraw/zinc/15/71/57/218157157.db2.gz AOZWQQSVOHSUIG-UHFFFAOYSA-N 2 2 337.427 3.119 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000093299811 218213091 /nfs/dbraw/zinc/21/30/91/218213091.db2.gz JJLBGHSHEMQHQY-KRWDZBQOSA-N 2 2 345.487 3.022 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000093564053 218232602 /nfs/dbraw/zinc/23/26/02/218232602.db2.gz ORELLSFPRDLYME-QGZVFWFLSA-N 2 2 348.487 3.163 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000093564053 218232605 /nfs/dbraw/zinc/23/26/05/218232605.db2.gz ORELLSFPRDLYME-QGZVFWFLSA-N 2 2 348.487 3.163 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093770000 218246600 /nfs/dbraw/zinc/24/66/00/218246600.db2.gz QDXXDDKFUGCTFC-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093770000 218246602 /nfs/dbraw/zinc/24/66/02/218246602.db2.gz QDXXDDKFUGCTFC-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093770000 218246604 /nfs/dbraw/zinc/24/66/04/218246604.db2.gz QDXXDDKFUGCTFC-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093770000 218246607 /nfs/dbraw/zinc/24/66/07/218246607.db2.gz QDXXDDKFUGCTFC-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2Br)C1 ZINC000093792676 218249008 /nfs/dbraw/zinc/24/90/08/218249008.db2.gz QHHJCJLWXJCVCR-AWEZNQCLSA-N 2 2 341.293 3.102 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2Br)C1 ZINC000093792676 218249010 /nfs/dbraw/zinc/24/90/10/218249010.db2.gz QHHJCJLWXJCVCR-AWEZNQCLSA-N 2 2 341.293 3.102 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000093792676 218249012 /nfs/dbraw/zinc/24/90/12/218249012.db2.gz QHHJCJLWXJCVCR-AWEZNQCLSA-N 2 2 341.293 3.102 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093792676 218249015 /nfs/dbraw/zinc/24/90/15/218249015.db2.gz QHHJCJLWXJCVCR-AWEZNQCLSA-N 2 2 341.293 3.102 20 0 EGADLP CC[N@@H+](Cc1cn(C)nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818718 218252896 /nfs/dbraw/zinc/25/28/96/218252896.db2.gz QWZCQGQOZOLFHB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cn(C)nc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818718 218252898 /nfs/dbraw/zinc/25/28/98/218252898.db2.gz QWZCQGQOZOLFHB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cn(C)nc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818718 218252901 /nfs/dbraw/zinc/25/29/01/218252901.db2.gz QWZCQGQOZOLFHB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cn(C)nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818718 218252904 /nfs/dbraw/zinc/25/29/04/218252904.db2.gz QWZCQGQOZOLFHB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)nnn1-c1ccc(Cl)cc1 ZINC000095419094 218358921 /nfs/dbraw/zinc/35/89/21/218358921.db2.gz UDPLIXBQVAZVOP-CYBMUJFWSA-N 2 2 344.850 3.167 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267435090 251054257 /nfs/dbraw/zinc/05/42/57/251054257.db2.gz NRDWWWDTTWEKBB-SFHVURJKSA-N 2 2 340.471 3.175 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267435090 251054259 /nfs/dbraw/zinc/05/42/59/251054259.db2.gz NRDWWWDTTWEKBB-SFHVURJKSA-N 2 2 340.471 3.175 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758685 252208864 /nfs/dbraw/zinc/20/88/64/252208864.db2.gz GDXFICYZZYIBGF-CKFHNAJUSA-N 2 2 342.487 3.104 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758685 252208868 /nfs/dbraw/zinc/20/88/68/252208868.db2.gz GDXFICYZZYIBGF-CKFHNAJUSA-N 2 2 342.487 3.104 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1OC(F)(F)F ZINC000268808786 252261809 /nfs/dbraw/zinc/26/18/09/252261809.db2.gz DGXWRYAZXHSNHH-CYBMUJFWSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000268828844 252278852 /nfs/dbraw/zinc/27/88/52/252278852.db2.gz KCJCFFKAYBRDLW-AAEUAGOBSA-N 2 2 348.821 3.049 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000268844707 252291710 /nfs/dbraw/zinc/29/17/10/252291710.db2.gz OOCPEVPWOIUSNJ-LPHOPBHVSA-N 2 2 338.499 3.181 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000268844707 252291711 /nfs/dbraw/zinc/29/17/11/252291711.db2.gz OOCPEVPWOIUSNJ-LPHOPBHVSA-N 2 2 338.499 3.181 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000268845039 252292820 /nfs/dbraw/zinc/29/28/20/252292820.db2.gz IYARJASIBXAKLK-INIZCTEOSA-N 2 2 337.467 3.427 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccnc1Cl ZINC000163708035 533453176 /nfs/dbraw/zinc/45/31/76/533453176.db2.gz VZGPCHUXSMPODC-OAHLLOKOSA-N 2 2 345.874 3.418 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246785221 141033734 /nfs/dbraw/zinc/03/37/34/141033734.db2.gz PIMAZCCBJWIXLT-PMACEKPBSA-N 2 2 338.499 3.232 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000246785221 141033735 /nfs/dbraw/zinc/03/37/35/141033735.db2.gz PIMAZCCBJWIXLT-PMACEKPBSA-N 2 2 338.499 3.232 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000342797616 141149573 /nfs/dbraw/zinc/14/95/73/141149573.db2.gz GUQBLWPOQKTXPA-SCTDSRPQSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000342797616 141149574 /nfs/dbraw/zinc/14/95/74/141149574.db2.gz GUQBLWPOQKTXPA-SCTDSRPQSA-N 2 2 326.488 3.480 20 0 EGADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3Oc3cc[nH+]cc3)C2)C1 ZINC000346288701 141192506 /nfs/dbraw/zinc/19/25/06/141192506.db2.gz BRCUPNINAFQPNF-HXUWFJFHSA-N 2 2 337.423 3.042 20 0 EGADLP C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3Oc3cc[nH+]cc3)C2)C1 ZINC000346288701 141192507 /nfs/dbraw/zinc/19/25/07/141192507.db2.gz BRCUPNINAFQPNF-HXUWFJFHSA-N 2 2 337.423 3.042 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000346617544 141204806 /nfs/dbraw/zinc/20/48/06/141204806.db2.gz GCZCMMCOZOBGSX-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000346617544 141204807 /nfs/dbraw/zinc/20/48/07/141204807.db2.gz GCZCMMCOZOBGSX-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC[C@@H]2CCC[NH+]2C)cn1 ZINC000348166491 141242393 /nfs/dbraw/zinc/24/23/93/141242393.db2.gz BZKJNKDLLNAVCZ-RBUKOAKNSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cn1 ZINC000348166491 141242394 /nfs/dbraw/zinc/24/23/94/141242394.db2.gz BZKJNKDLLNAVCZ-RBUKOAKNSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000348166491 141242395 /nfs/dbraw/zinc/24/23/95/141242395.db2.gz BZKJNKDLLNAVCZ-RBUKOAKNSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000348166491 141242396 /nfs/dbraw/zinc/24/23/96/141242396.db2.gz BZKJNKDLLNAVCZ-RBUKOAKNSA-N 2 2 330.451 3.065 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000353453568 141299565 /nfs/dbraw/zinc/29/95/65/141299565.db2.gz RVXVZEJRSVKPRK-PBHICJAKSA-N 2 2 326.444 3.403 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359702601 141406614 /nfs/dbraw/zinc/40/66/14/141406614.db2.gz ZZVRLAXMBZNJOM-HUUCEWRRSA-N 2 2 328.909 3.259 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150796302 143975469 /nfs/dbraw/zinc/97/54/69/143975469.db2.gz ZQVITMUBXNVRBC-RBUKOAKNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150796302 143975471 /nfs/dbraw/zinc/97/54/71/143975471.db2.gz ZQVITMUBXNVRBC-RBUKOAKNSA-N 2 2 343.515 3.357 20 0 EGADLP C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc4[nH+]ccn4c3)cc21 ZINC000172598119 144023522 /nfs/dbraw/zinc/02/35/22/144023522.db2.gz MSONKDUXCNFVLJ-UHFFFAOYSA-N 2 2 347.422 3.103 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950896 144082394 /nfs/dbraw/zinc/08/23/94/144082394.db2.gz ZLWFSCHYEKYSDD-QUCCMNQESA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950896 144082397 /nfs/dbraw/zinc/08/23/97/144082397.db2.gz ZLWFSCHYEKYSDD-QUCCMNQESA-N 3 2 344.547 3.004 20 0 EGADLP OCC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccco1 ZINC000186535832 144136413 /nfs/dbraw/zinc/13/64/13/144136413.db2.gz SQOVTWXTNSJXOF-IBGZPJMESA-N 2 2 346.446 3.139 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344624249 144201104 /nfs/dbraw/zinc/20/11/04/144201104.db2.gz IIACVWDDAQDMNZ-WBMJQRKESA-N 2 2 348.441 3.340 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344624249 144201106 /nfs/dbraw/zinc/20/11/06/144201106.db2.gz IIACVWDDAQDMNZ-WBMJQRKESA-N 2 2 348.441 3.340 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344647565 144204784 /nfs/dbraw/zinc/20/47/84/144204784.db2.gz XILVLFRWXNUPKQ-UZLBHIALSA-N 2 2 340.515 3.429 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344647565 144204786 /nfs/dbraw/zinc/20/47/86/144204786.db2.gz XILVLFRWXNUPKQ-UZLBHIALSA-N 2 2 340.515 3.429 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344790937 144224969 /nfs/dbraw/zinc/22/49/69/144224969.db2.gz PVQKUEWCVOHUJB-CRAIPNDOSA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000344790937 144224971 /nfs/dbraw/zinc/22/49/71/144224971.db2.gz PVQKUEWCVOHUJB-CRAIPNDOSA-N 2 2 342.439 3.209 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474643 144266601 /nfs/dbraw/zinc/26/66/01/144266601.db2.gz GPZAPIIJANGZEJ-BXUZGUMPSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474643 144266603 /nfs/dbraw/zinc/26/66/03/144266603.db2.gz GPZAPIIJANGZEJ-BXUZGUMPSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351474643 144266605 /nfs/dbraw/zinc/26/66/05/144266605.db2.gz GPZAPIIJANGZEJ-BXUZGUMPSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351474643 144266607 /nfs/dbraw/zinc/26/66/07/144266607.db2.gz GPZAPIIJANGZEJ-BXUZGUMPSA-N 2 2 331.287 3.441 20 0 EGADLP Fc1ccc(-n2nccc2CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351547532 144277671 /nfs/dbraw/zinc/27/76/71/144277671.db2.gz XZGYJBKCPAPQOS-UHFFFAOYSA-N 2 2 348.385 3.263 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000351715569 144295469 /nfs/dbraw/zinc/29/54/69/144295469.db2.gz DHUDSZPTYNAHPI-UHFFFAOYSA-N 2 2 337.427 3.349 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1ccc(F)cc1 ZINC000361721552 144354968 /nfs/dbraw/zinc/35/49/68/144354968.db2.gz SOOIHWLSWRBGDE-MRXNPFEDSA-N 2 2 343.446 3.242 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000677819716 549337653 /nfs/dbraw/zinc/33/76/53/549337653.db2.gz NMQRPQAQCWPSFS-UHFFFAOYSA-N 2 2 340.290 3.464 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000677819716 549337657 /nfs/dbraw/zinc/33/76/57/549337657.db2.gz NMQRPQAQCWPSFS-UHFFFAOYSA-N 2 2 340.290 3.464 20 0 EGADLP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000116350621 152058578 /nfs/dbraw/zinc/05/85/78/152058578.db2.gz FXLYZCPBTBMAOR-GOSISDBHSA-N 2 2 346.434 3.047 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000119920028 152238178 /nfs/dbraw/zinc/23/81/78/152238178.db2.gz PCNMNCWDWLIRRX-RBSFLKMASA-N 2 2 337.533 3.172 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000120657277 152290087 /nfs/dbraw/zinc/29/00/87/152290087.db2.gz FCQAPZGCTXJBLD-UHFFFAOYSA-N 2 2 332.407 3.388 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000192136462 153244676 /nfs/dbraw/zinc/24/46/76/153244676.db2.gz GDBILUFBGZNGLM-GOSISDBHSA-N 3 2 349.482 3.369 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000192136462 153244679 /nfs/dbraw/zinc/24/46/79/153244679.db2.gz GDBILUFBGZNGLM-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000192136462 153244685 /nfs/dbraw/zinc/24/46/85/153244685.db2.gz GDBILUFBGZNGLM-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000192136462 153244690 /nfs/dbraw/zinc/24/46/90/153244690.db2.gz GDBILUFBGZNGLM-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C1 ZINC000304960994 154078352 /nfs/dbraw/zinc/07/83/52/154078352.db2.gz MALYTXZKRXACMI-LZQZEXGQSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C1 ZINC000304960994 154078356 /nfs/dbraw/zinc/07/83/56/154078356.db2.gz MALYTXZKRXACMI-LZQZEXGQSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1nc(-c2ccccc2)cs1 ZINC000305142311 154086154 /nfs/dbraw/zinc/08/61/54/154086154.db2.gz QORRBHJJYZDDDG-HNNXBMFYSA-N 2 2 345.512 3.308 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1OC ZINC000310716729 154142615 /nfs/dbraw/zinc/14/26/15/154142615.db2.gz WQWOVOQXSYTKEP-APWZRJJASA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1OC ZINC000310716729 154142619 /nfs/dbraw/zinc/14/26/19/154142619.db2.gz WQWOVOQXSYTKEP-APWZRJJASA-N 2 2 340.467 3.456 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810227 154179909 /nfs/dbraw/zinc/17/99/09/154179909.db2.gz KANOECNVICWPTR-JGGQBBKZSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810227 154179911 /nfs/dbraw/zinc/17/99/11/154179911.db2.gz KANOECNVICWPTR-JGGQBBKZSA-N 2 2 344.377 3.099 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)ccc(Br)c1F ZINC000337327232 154285742 /nfs/dbraw/zinc/28/57/42/154285742.db2.gz XDNCKZLZFNZSSQ-UHFFFAOYSA-N 2 2 344.203 3.446 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)ccc(Br)c1F ZINC000337327232 154285740 /nfs/dbraw/zinc/28/57/40/154285740.db2.gz XDNCKZLZFNZSSQ-UHFFFAOYSA-N 2 2 344.203 3.446 20 0 EGADLP COc1sc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000346814731 156148449 /nfs/dbraw/zinc/14/84/49/156148449.db2.gz CKJYTRCAVZSHII-GAFUQQFSSA-N 2 2 345.306 3.078 20 0 EGADLP COc1sc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000346814731 156148451 /nfs/dbraw/zinc/14/84/51/156148451.db2.gz CKJYTRCAVZSHII-GAFUQQFSSA-N 2 2 345.306 3.078 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971359 156222982 /nfs/dbraw/zinc/22/29/82/156222982.db2.gz HBHDLGLLMZKVJA-AEFFLSMTSA-N 2 2 347.503 3.004 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971359 156222986 /nfs/dbraw/zinc/22/29/86/156222986.db2.gz HBHDLGLLMZKVJA-AEFFLSMTSA-N 2 2 347.503 3.004 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc(Cl)c1OC ZINC000347003147 156241062 /nfs/dbraw/zinc/24/10/62/156241062.db2.gz KYYUTBYLDXOPTB-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc(Cl)c1OC ZINC000347003147 156241067 /nfs/dbraw/zinc/24/10/67/156241067.db2.gz KYYUTBYLDXOPTB-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CN(CC[N@H+](C)Cc1ccc(C(F)(F)F)s1)C1CC[NH+](C)CC1 ZINC000349063813 156341072 /nfs/dbraw/zinc/34/10/72/156341072.db2.gz RTVLOJDBVZKCQG-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccc(C(F)(F)F)s1)C1CC[NH+](C)CC1 ZINC000349063813 156341076 /nfs/dbraw/zinc/34/10/76/156341076.db2.gz RTVLOJDBVZKCQG-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)s1 ZINC000349063813 156341079 /nfs/dbraw/zinc/34/10/79/156341079.db2.gz RTVLOJDBVZKCQG-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)s1 ZINC000349063813 156341082 /nfs/dbraw/zinc/34/10/82/156341082.db2.gz RTVLOJDBVZKCQG-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC000345310382 296736120 /nfs/dbraw/zinc/73/61/20/296736120.db2.gz XAYRTXGZZJRTTL-GOSKSRJBSA-N 2 2 344.503 3.029 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000365638603 157201004 /nfs/dbraw/zinc/20/10/04/157201004.db2.gz NJWGKPVCJWZJBJ-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000365638603 157201006 /nfs/dbraw/zinc/20/10/06/157201006.db2.gz NJWGKPVCJWZJBJ-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000372585499 157361743 /nfs/dbraw/zinc/36/17/43/157361743.db2.gz NQUWRGSBOONPOX-IBGZPJMESA-N 3 2 338.499 3.323 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683847 162021989 /nfs/dbraw/zinc/02/19/89/162021989.db2.gz UIZTVQNAMFHJJG-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683847 162021993 /nfs/dbraw/zinc/02/19/93/162021993.db2.gz UIZTVQNAMFHJJG-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795537 162111885 /nfs/dbraw/zinc/11/18/85/162111885.db2.gz HZMXEYTVFNFGAY-UHFFFAOYSA-N 2 2 340.471 3.456 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243475 162148793 /nfs/dbraw/zinc/14/87/93/162148793.db2.gz YJFNTNBSOMDISC-IAGOWNOFSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243477 162149592 /nfs/dbraw/zinc/14/95/92/162149592.db2.gz YJFNTNBSOMDISC-DLBZAZTESA-N 2 2 340.471 3.094 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995628 163050909 /nfs/dbraw/zinc/05/09/09/163050909.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 3 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995628 163050910 /nfs/dbraw/zinc/05/09/10/163050910.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 3 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995628 163050912 /nfs/dbraw/zinc/05/09/12/163050912.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 3 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995628 163050914 /nfs/dbraw/zinc/05/09/14/163050914.db2.gz OXUBBIYHNBLJFJ-VWWARQNISA-N 3 2 327.516 3.254 20 0 EGADLP Clc1ccc(C[C@]2([NH2+]Cc3cccc4[nH+]ccn43)CCOC2)cc1 ZINC000337235976 163173504 /nfs/dbraw/zinc/17/35/04/163173504.db2.gz AYSIVGZTFSTUNM-LJQANCHMSA-N 2 2 341.842 3.479 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)no1 ZINC000337276252 163191558 /nfs/dbraw/zinc/19/15/58/163191558.db2.gz FBURLHXVFJSKOC-INIZCTEOSA-N 2 2 329.444 3.308 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337276432 163191957 /nfs/dbraw/zinc/19/19/57/163191957.db2.gz QWLRTGJJNJXWBM-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337276432 163191959 /nfs/dbraw/zinc/19/19/59/163191959.db2.gz QWLRTGJJNJXWBM-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000343872377 164054557 /nfs/dbraw/zinc/05/45/57/164054557.db2.gz RCNUKUOZRICRTQ-AWEZNQCLSA-N 2 2 348.468 3.130 20 0 EGADLP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000343872377 164054558 /nfs/dbraw/zinc/05/45/58/164054558.db2.gz RCNUKUOZRICRTQ-AWEZNQCLSA-N 2 2 348.468 3.130 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(CC)CC ZINC000344180679 164120897 /nfs/dbraw/zinc/12/08/97/164120897.db2.gz YACLLSFHQRLEJK-QZTJIDSGSA-N 2 2 340.552 3.449 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000354862963 166050364 /nfs/dbraw/zinc/05/03/64/166050364.db2.gz XPRXWFUZNAZRFQ-SFTDATJTSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000354862963 166050365 /nfs/dbraw/zinc/05/03/65/166050365.db2.gz XPRXWFUZNAZRFQ-SFTDATJTSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000354862963 166050367 /nfs/dbraw/zinc/05/03/67/166050367.db2.gz XPRXWFUZNAZRFQ-SFTDATJTSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000354862963 166050368 /nfs/dbraw/zinc/05/03/68/166050368.db2.gz XPRXWFUZNAZRFQ-SFTDATJTSA-N 2 2 338.499 3.342 20 0 EGADLP Fc1ccc(Br)cc1C[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000346300764 164365355 /nfs/dbraw/zinc/36/53/55/164365355.db2.gz CRYIEUSEMFKSOQ-UHFFFAOYSA-N 2 2 338.224 3.449 20 0 EGADLP Fc1ccc(Br)cc1C[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000346300764 164365356 /nfs/dbraw/zinc/36/53/56/164365356.db2.gz CRYIEUSEMFKSOQ-UHFFFAOYSA-N 2 2 338.224 3.449 20 0 EGADLP c1cn(CCCn2c3ccccc3[nH+]c2NCc2ccccc2)c[nH+]1 ZINC000346313267 164367368 /nfs/dbraw/zinc/36/73/68/164367368.db2.gz LSUVAPTZKUREBS-UHFFFAOYSA-N 2 2 331.423 3.357 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000357666651 287072913 /nfs/dbraw/zinc/07/29/13/287072913.db2.gz ZLTBAPPFSLMNCZ-DNVCBOLYSA-N 2 2 325.460 3.180 20 0 EGADLP C[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354986457 166080898 /nfs/dbraw/zinc/08/08/98/166080898.db2.gz ZALAFFRCMWFGAT-KRWDZBQOSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354986457 166080900 /nfs/dbraw/zinc/08/09/00/166080900.db2.gz ZALAFFRCMWFGAT-KRWDZBQOSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350950487 165085837 /nfs/dbraw/zinc/08/58/37/165085837.db2.gz NBGDCGCZPVRMSQ-GFCCVEGCSA-N 2 2 341.858 3.080 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@@H+](C)C[C@H](C)O)CC3)cc2c1C ZINC000352011140 165191789 /nfs/dbraw/zinc/19/17/89/165191789.db2.gz PHNZIDMKYYQYOY-HNNXBMFYSA-N 2 2 329.488 3.062 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@H+](C)C[C@H](C)O)CC3)cc2c1C ZINC000352011140 165191791 /nfs/dbraw/zinc/19/17/91/165191791.db2.gz PHNZIDMKYYQYOY-HNNXBMFYSA-N 2 2 329.488 3.062 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000352375962 165369895 /nfs/dbraw/zinc/36/98/95/165369895.db2.gz IELASWNWFRADRJ-INIZCTEOSA-N 2 2 342.487 3.234 20 0 EGADLP Cc1ccc(CCC[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c[nH+]1 ZINC000355144503 166116781 /nfs/dbraw/zinc/11/67/81/166116781.db2.gz CVSIDHMDPAKVET-HXUWFJFHSA-N 2 2 342.483 3.473 20 0 EGADLP Cc1ccc(CCC[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c[nH+]1 ZINC000355144503 166116783 /nfs/dbraw/zinc/11/67/83/166116783.db2.gz CVSIDHMDPAKVET-HXUWFJFHSA-N 2 2 342.483 3.473 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000355209810 166134616 /nfs/dbraw/zinc/13/46/16/166134616.db2.gz KJMUCUOMEHONNR-BMGDILEWSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000355209810 166134620 /nfs/dbraw/zinc/13/46/20/166134620.db2.gz KJMUCUOMEHONNR-BMGDILEWSA-N 2 2 338.879 3.032 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355220288 166138254 /nfs/dbraw/zinc/13/82/54/166138254.db2.gz KPHFRNJMQWZPJD-QGTPRVQTSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000355220288 166138256 /nfs/dbraw/zinc/13/82/56/166138256.db2.gz KPHFRNJMQWZPJD-QGTPRVQTSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000355220288 166138259 /nfs/dbraw/zinc/13/82/59/166138259.db2.gz KPHFRNJMQWZPJD-QGTPRVQTSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000355220288 166138261 /nfs/dbraw/zinc/13/82/61/166138261.db2.gz KPHFRNJMQWZPJD-QGTPRVQTSA-N 2 2 347.528 3.443 20 0 EGADLP C[C@H](COc1cccc(F)c1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000360243084 167280486 /nfs/dbraw/zinc/28/04/86/167280486.db2.gz TURFASOLNWCEFW-MRXNPFEDSA-N 2 2 343.446 3.242 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000360335839 167304922 /nfs/dbraw/zinc/30/49/22/167304922.db2.gz HZAPUDXJYNXMDV-MJGOQNOKSA-N 2 2 335.451 3.374 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)nnn1-c1ccccc1 ZINC000360433726 167327148 /nfs/dbraw/zinc/32/71/48/167327148.db2.gz NQFXISAXVXPIIV-HNNXBMFYSA-N 2 2 339.487 3.101 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367398080 168220785 /nfs/dbraw/zinc/22/07/85/168220785.db2.gz CIPFJBXXJLUZDB-RYUDHWBXSA-N 2 2 332.341 3.441 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367398080 168220788 /nfs/dbraw/zinc/22/07/88/168220788.db2.gz CIPFJBXXJLUZDB-RYUDHWBXSA-N 2 2 332.341 3.441 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccccn3)CC2)c1 ZINC000158560973 225042588 /nfs/dbraw/zinc/04/25/88/225042588.db2.gz LHVVOIFZWBJEJF-LJQANCHMSA-N 2 2 338.499 3.253 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000122878183 222176240 /nfs/dbraw/zinc/17/62/40/222176240.db2.gz ZKYLQESIEKYBTF-CRAIPNDOSA-N 2 2 340.471 3.330 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000122878183 222176242 /nfs/dbraw/zinc/17/62/42/222176242.db2.gz ZKYLQESIEKYBTF-CRAIPNDOSA-N 2 2 340.471 3.330 20 0 EGADLP CCn1nccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124058581 222370825 /nfs/dbraw/zinc/37/08/25/222370825.db2.gz BVTJWNUBEDAENI-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124058581 222370829 /nfs/dbraw/zinc/37/08/29/222370829.db2.gz BVTJWNUBEDAENI-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124058581 222370831 /nfs/dbraw/zinc/37/08/31/222370831.db2.gz BVTJWNUBEDAENI-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124058581 222370834 /nfs/dbraw/zinc/37/08/34/222370834.db2.gz BVTJWNUBEDAENI-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000173954404 265013681 /nfs/dbraw/zinc/01/36/81/265013681.db2.gz YBIYAKMKDQLRKW-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1C ZINC000173954404 265013684 /nfs/dbraw/zinc/01/36/84/265013684.db2.gz YBIYAKMKDQLRKW-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000173954404 265013687 /nfs/dbraw/zinc/01/36/87/265013687.db2.gz YBIYAKMKDQLRKW-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000173954404 265013689 /nfs/dbraw/zinc/01/36/89/265013689.db2.gz YBIYAKMKDQLRKW-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180125432 265395397 /nfs/dbraw/zinc/39/53/97/265395397.db2.gz BMEHKWHGYIWYIN-GTPINHCMSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180125432 265395399 /nfs/dbraw/zinc/39/53/99/265395399.db2.gz BMEHKWHGYIWYIN-GTPINHCMSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000274627139 267263560 /nfs/dbraw/zinc/26/35/60/267263560.db2.gz HBZKQLFCWABSOW-CABCVRRESA-N 2 2 344.459 3.436 20 0 EGADLP C[C@H]([NH2+][C@H](CCO)c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274792376 267288095 /nfs/dbraw/zinc/28/80/95/267288095.db2.gz SAHQVWXFIOHWIK-QXAKKESOSA-N 2 2 328.456 3.203 20 0 EGADLP C[C@H]([NH2+][C@H](CCO)c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274792376 267288098 /nfs/dbraw/zinc/28/80/98/267288098.db2.gz SAHQVWXFIOHWIK-QXAKKESOSA-N 2 2 328.456 3.203 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000274864839 267298642 /nfs/dbraw/zinc/29/86/42/267298642.db2.gz TYURLOQBWOTRLR-AWEZNQCLSA-N 2 2 339.395 3.108 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278468906 268020198 /nfs/dbraw/zinc/02/01/98/268020198.db2.gz NNFIHDJLTVEBGN-LPHOPBHVSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278468906 268020200 /nfs/dbraw/zinc/02/02/00/268020200.db2.gz NNFIHDJLTVEBGN-LPHOPBHVSA-N 2 2 329.488 3.035 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000278506424 268028983 /nfs/dbraw/zinc/02/89/83/268028983.db2.gz AVFHMXVIESTFRH-KRWDZBQOSA-N 2 2 345.487 3.024 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC(C)CC1 ZINC000373552458 274014879 /nfs/dbraw/zinc/01/48/79/274014879.db2.gz RKBOSIGPKSBFFS-YWDUDDICSA-N 2 2 345.531 3.477 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC(C)CC1 ZINC000373552458 274014880 /nfs/dbraw/zinc/01/48/80/274014880.db2.gz RKBOSIGPKSBFFS-YWDUDDICSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353504813 274247407 /nfs/dbraw/zinc/24/74/07/274247407.db2.gz UBTVROKGGHIIQX-QGZVFWFLSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353504813 274247410 /nfs/dbraw/zinc/24/74/10/274247410.db2.gz UBTVROKGGHIIQX-QGZVFWFLSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191392 274356097 /nfs/dbraw/zinc/35/60/97/274356097.db2.gz YGPBLTOUBVXGHQ-QUCCMNQESA-N 2 2 345.531 3.215 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191392 274356100 /nfs/dbraw/zinc/35/61/00/274356100.db2.gz YGPBLTOUBVXGHQ-QUCCMNQESA-N 2 2 345.531 3.215 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(I)cc1 ZINC000037228659 275123730 /nfs/dbraw/zinc/12/37/30/275123730.db2.gz CFPCXOOCIAJSRJ-GFCCVEGCSA-N 2 2 344.240 3.038 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000108371510 275175512 /nfs/dbraw/zinc/17/55/12/275175512.db2.gz SKIDEHQUILCZHZ-HXUWFJFHSA-N 2 2 342.483 3.042 20 0 EGADLP C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211712 275187444 /nfs/dbraw/zinc/18/74/44/275187444.db2.gz DHZSLDOMCYBGMF-OAHLLOKOSA-N 2 2 340.427 3.337 20 0 EGADLP C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211712 275187445 /nfs/dbraw/zinc/18/74/45/275187445.db2.gz DHZSLDOMCYBGMF-OAHLLOKOSA-N 2 2 340.427 3.337 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379837 275255739 /nfs/dbraw/zinc/25/57/39/275255739.db2.gz CISXUAAHAXXOMD-GHTZIAJQSA-N 2 2 339.483 3.262 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379837 275255741 /nfs/dbraw/zinc/25/57/41/275255741.db2.gz CISXUAAHAXXOMD-GHTZIAJQSA-N 2 2 339.483 3.262 20 0 EGADLP Brc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000348184792 275374289 /nfs/dbraw/zinc/37/42/89/275374289.db2.gz IMHNXVVBCUCWSY-IAQYHMDHSA-N 2 2 332.245 3.238 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000286842739 276049193 /nfs/dbraw/zinc/04/91/93/276049193.db2.gz FERLPYXMVPQZDB-BBRMVZONSA-N 2 2 341.377 3.434 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287191199 276094753 /nfs/dbraw/zinc/09/47/53/276094753.db2.gz DCQZTRLULUGLOU-DZUCGIPZSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000287191199 276094755 /nfs/dbraw/zinc/09/47/55/276094755.db2.gz DCQZTRLULUGLOU-DZUCGIPZSA-N 2 2 342.405 3.349 20 0 EGADLP COc1ccncc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000287710871 276149991 /nfs/dbraw/zinc/14/99/91/276149991.db2.gz JRFUXAITXQRSRB-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1ccncc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000287710871 276149992 /nfs/dbraw/zinc/14/99/92/276149992.db2.gz JRFUXAITXQRSRB-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000288463369 276216564 /nfs/dbraw/zinc/21/65/64/276216564.db2.gz OIFIFNQQGQWWNW-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000288463369 276216566 /nfs/dbraw/zinc/21/65/66/276216566.db2.gz OIFIFNQQGQWWNW-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289272016 276314184 /nfs/dbraw/zinc/31/41/84/276314184.db2.gz PHJGTCHGMBNCTR-FUHWJXTLSA-N 2 2 327.476 3.138 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289272016 276314185 /nfs/dbraw/zinc/31/41/85/276314185.db2.gz PHJGTCHGMBNCTR-FUHWJXTLSA-N 2 2 327.476 3.138 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000289316418 276320845 /nfs/dbraw/zinc/32/08/45/276320845.db2.gz SQBOMXQTLZQFOY-HXUWFJFHSA-N 2 2 337.467 3.276 20 0 EGADLP COc1cncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289464739 276343093 /nfs/dbraw/zinc/34/30/93/276343093.db2.gz QKUKSIXVVXDRMH-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289464739 276343095 /nfs/dbraw/zinc/34/30/95/276343095.db2.gz QKUKSIXVVXDRMH-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000289464739 276343096 /nfs/dbraw/zinc/34/30/96/276343096.db2.gz QKUKSIXVVXDRMH-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000289464739 276343098 /nfs/dbraw/zinc/34/30/98/276343098.db2.gz QKUKSIXVVXDRMH-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000289582777 276361498 /nfs/dbraw/zinc/36/14/98/276361498.db2.gz RKNINQNPMCNEEP-INIZCTEOSA-N 2 2 342.405 3.129 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000289582777 276361500 /nfs/dbraw/zinc/36/15/00/276361500.db2.gz RKNINQNPMCNEEP-INIZCTEOSA-N 2 2 342.405 3.129 20 0 EGADLP C[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704890 276380827 /nfs/dbraw/zinc/38/08/27/276380827.db2.gz HOHLVYKLQRKROB-SJLPKXTDSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704890 276380828 /nfs/dbraw/zinc/38/08/28/276380828.db2.gz HOHLVYKLQRKROB-SJLPKXTDSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704890 276380829 /nfs/dbraw/zinc/38/08/29/276380829.db2.gz HOHLVYKLQRKROB-SJLPKXTDSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704890 276380831 /nfs/dbraw/zinc/38/08/31/276380831.db2.gz HOHLVYKLQRKROB-SJLPKXTDSA-N 2 2 338.442 3.255 20 0 EGADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)no1 ZINC000289786744 276394462 /nfs/dbraw/zinc/39/44/62/276394462.db2.gz OFQKOBZGVABDID-LSDHHAIUSA-N 2 2 346.450 3.286 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000290509228 276504937 /nfs/dbraw/zinc/50/49/37/276504937.db2.gz WXFIAUKSDBYIMM-UHFFFAOYSA-N 2 2 333.476 3.312 20 0 EGADLP COC[C@]1(C[NH2+]CCCc2c[nH+]ccc2C)OCCc2ccccc21 ZINC000291487712 276650587 /nfs/dbraw/zinc/65/05/87/276650587.db2.gz GIADAPVGWJWFHB-NRFANRHFSA-N 2 2 340.467 3.027 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4c3cccc4F)[nH+]c2)C1 ZINC000346983534 276837564 /nfs/dbraw/zinc/83/75/64/276837564.db2.gz ZPVUEVPQHFPPHT-BEFAXECRSA-N 2 2 340.446 3.460 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000128335611 277278486 /nfs/dbraw/zinc/27/84/86/277278486.db2.gz LNCXYQXXMWGDFZ-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000128335611 277278488 /nfs/dbraw/zinc/27/84/88/277278488.db2.gz LNCXYQXXMWGDFZ-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357087922 278054787 /nfs/dbraw/zinc/05/47/87/278054787.db2.gz SNJWDSDQVGDNKU-IRXDYDNUSA-N 2 2 343.515 3.413 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357087922 278054788 /nfs/dbraw/zinc/05/47/88/278054788.db2.gz SNJWDSDQVGDNKU-IRXDYDNUSA-N 2 2 343.515 3.413 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246915733 278205696 /nfs/dbraw/zinc/20/56/96/278205696.db2.gz SEQPLZJMBHOGDL-JDOCJCRBSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246915733 278205698 /nfs/dbraw/zinc/20/56/98/278205698.db2.gz SEQPLZJMBHOGDL-JDOCJCRBSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246915733 278205699 /nfs/dbraw/zinc/20/56/99/278205699.db2.gz SEQPLZJMBHOGDL-JDOCJCRBSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246915733 278205701 /nfs/dbraw/zinc/20/57/01/278205701.db2.gz SEQPLZJMBHOGDL-JDOCJCRBSA-N 2 2 347.547 3.019 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c[nH+]1 ZINC000371318439 280293812 /nfs/dbraw/zinc/29/38/12/280293812.db2.gz WTIVGKFJSHBUFR-MSOLQXFVSA-N 2 2 344.503 3.239 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c[nH+]1 ZINC000371318439 280293816 /nfs/dbraw/zinc/29/38/16/280293816.db2.gz WTIVGKFJSHBUFR-MSOLQXFVSA-N 2 2 344.503 3.239 20 0 EGADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357666654 290063321 /nfs/dbraw/zinc/06/33/21/290063321.db2.gz ZLTBAPPFSLMNCZ-KXBFYZLASA-N 2 2 325.460 3.180 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000344835488 303029624 /nfs/dbraw/zinc/02/96/24/303029624.db2.gz SXLGGQUYEZEISB-ALKREAHSSA-N 2 2 344.503 3.173 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1cc2n(n1)CCC2)[N@H+](C)Cc1ccccc1 ZINC000414089193 309060409 /nfs/dbraw/zinc/06/04/09/309060409.db2.gz CKCJTWBLXRAOKL-SJORKVTESA-N 2 2 326.488 3.391 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1cc2n(n1)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000414089193 309060410 /nfs/dbraw/zinc/06/04/10/309060410.db2.gz CKCJTWBLXRAOKL-SJORKVTESA-N 2 2 326.488 3.391 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)ccc1OC(C)C ZINC000414255712 309068994 /nfs/dbraw/zinc/06/89/94/309068994.db2.gz CTULDFAFCYJQPB-CQSZACIVSA-N 2 2 346.475 3.133 20 0 EGADLP CC(C)Oc1ccc(CC[C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414302960 309071564 /nfs/dbraw/zinc/07/15/64/309071564.db2.gz WQDZMFWMQIYZKN-INIZCTEOSA-N 2 2 344.503 3.384 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1C(F)(F)F ZINC000414304932 309071789 /nfs/dbraw/zinc/07/17/89/309071789.db2.gz MSTKZFUBKFUIAB-LLVKDONJSA-N 2 2 326.366 3.356 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000414345539 309074281 /nfs/dbraw/zinc/07/42/81/309074281.db2.gz LLRAFNZNSZZXET-CKEIUWERSA-N 2 2 329.463 3.463 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000414345539 309074282 /nfs/dbraw/zinc/07/42/82/309074282.db2.gz LLRAFNZNSZZXET-CKEIUWERSA-N 2 2 329.463 3.463 20 0 EGADLP Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414361679 309075111 /nfs/dbraw/zinc/07/51/11/309075111.db2.gz ICYRZWPQCPGJTP-IEBWSBKVSA-N 2 2 342.487 3.052 20 0 EGADLP CC1(C)[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000245858517 307959870 /nfs/dbraw/zinc/95/98/70/307959870.db2.gz HLGOMTCRWUIYSW-DFQSSKMNSA-N 2 2 339.483 3.267 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292949059 308083255 /nfs/dbraw/zinc/08/32/55/308083255.db2.gz KLGOIYBOWBVUDK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292949059 308083257 /nfs/dbraw/zinc/08/32/57/308083257.db2.gz KLGOIYBOWBVUDK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292949059 308083259 /nfs/dbraw/zinc/08/32/59/308083259.db2.gz KLGOIYBOWBVUDK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292949059 308083261 /nfs/dbraw/zinc/08/32/61/308083261.db2.gz KLGOIYBOWBVUDK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2nc(-c3ccccc3F)cs2)CC1 ZINC000292949288 308083307 /nfs/dbraw/zinc/08/33/07/308083307.db2.gz BWVJIGWAAZLHME-UHFFFAOYSA-N 2 2 348.491 3.387 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)c1C ZINC000293804477 308163450 /nfs/dbraw/zinc/16/34/50/308163450.db2.gz DNGNYQDMNJMCQF-SJLPKXTDSA-N 2 2 347.484 3.257 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293918679 308173492 /nfs/dbraw/zinc/17/34/92/308173492.db2.gz XFZAULUMFLGRGO-MWLCHTKSSA-N 2 2 326.263 3.373 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)c2C1 ZINC000294578340 308234201 /nfs/dbraw/zinc/23/42/01/308234201.db2.gz MEBZAEXXVJFUCU-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)c2C1 ZINC000294578340 308234203 /nfs/dbraw/zinc/23/42/03/308234203.db2.gz MEBZAEXXVJFUCU-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000294769537 308254834 /nfs/dbraw/zinc/25/48/34/308254834.db2.gz KAJPOTGITPVURV-WBVHZDCISA-N 2 2 327.476 3.071 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000294769537 308254836 /nfs/dbraw/zinc/25/48/36/308254836.db2.gz KAJPOTGITPVURV-WBVHZDCISA-N 2 2 327.476 3.071 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)n1-c1ccccc1 ZINC000295092495 308290606 /nfs/dbraw/zinc/29/06/06/308290606.db2.gz JKCHAOUSIMXVLC-HXUWFJFHSA-N 2 2 339.414 3.013 20 0 EGADLP CO[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988668 308382110 /nfs/dbraw/zinc/38/21/10/308382110.db2.gz LJFJTGSFQXNOSN-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988668 308382112 /nfs/dbraw/zinc/38/21/12/308382112.db2.gz LJFJTGSFQXNOSN-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988668 308382114 /nfs/dbraw/zinc/38/21/14/308382114.db2.gz LJFJTGSFQXNOSN-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988668 308382115 /nfs/dbraw/zinc/38/21/15/308382115.db2.gz LJFJTGSFQXNOSN-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695457 309095743 /nfs/dbraw/zinc/09/57/43/309095743.db2.gz GMCAOLDBMWQMOX-MJGOQNOKSA-N 3 2 330.520 3.008 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695457 309095744 /nfs/dbraw/zinc/09/57/44/309095744.db2.gz GMCAOLDBMWQMOX-MJGOQNOKSA-N 3 2 330.520 3.008 20 0 EGADLP [NH3+]CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000414749458 309098666 /nfs/dbraw/zinc/09/86/66/309098666.db2.gz QBSHAIRPLDWKHD-AWEZNQCLSA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000414749458 309098667 /nfs/dbraw/zinc/09/86/67/309098667.db2.gz QBSHAIRPLDWKHD-AWEZNQCLSA-N 2 2 330.259 3.135 20 0 EGADLP C[C@H](SCCc1c[nH+]cn1C)[C@H](C)SCCc1c[nH+]cn1C ZINC000298369964 308608215 /nfs/dbraw/zinc/60/82/15/308608215.db2.gz UOIMCEZPOHGEQG-KBPBESRZSA-N 2 2 338.546 3.182 20 0 EGADLP CCOc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1O ZINC000298417128 308612588 /nfs/dbraw/zinc/61/25/88/308612588.db2.gz PKKJFMBTJSCIPD-UHFFFAOYSA-N 2 2 337.423 3.326 20 0 EGADLP Clc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414835488 309104664 /nfs/dbraw/zinc/10/46/64/309104664.db2.gz UGGLUNHKSJSXSM-FUNVUKJBSA-N 2 2 329.669 3.475 20 0 EGADLP Cc1ccc([C@@H](CNc2nc(N(C)C)cc[nH+]2)[NH+]2CCCC2)cc1 ZINC000301726322 308712784 /nfs/dbraw/zinc/71/27/84/308712784.db2.gz MYHPBWGEGHTFAK-QGZVFWFLSA-N 2 2 325.460 3.100 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000414842020 309105095 /nfs/dbraw/zinc/10/50/95/309105095.db2.gz IJUZEZGXSHPASX-QGZVFWFLSA-N 2 2 325.447 3.129 20 0 EGADLP CCn1cc([C@@H]2OCCC[C@@H]2[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000348177143 308883706 /nfs/dbraw/zinc/88/37/06/308883706.db2.gz UYPLLMYSHFGAJW-OALUTQOASA-N 2 2 328.460 3.049 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414850073 309105534 /nfs/dbraw/zinc/10/55/34/309105534.db2.gz SARIAZIOQOWUJN-KXBFYZLASA-N 2 2 327.472 3.434 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414864617 309106330 /nfs/dbraw/zinc/10/63/30/309106330.db2.gz BSJCTRGGNPFQKB-MWLCHTKSSA-N 2 2 349.784 3.027 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414892252 309107810 /nfs/dbraw/zinc/10/78/10/309107810.db2.gz XRRQVVGMVAMTMZ-NRFANRHFSA-N 2 2 346.478 3.358 20 0 EGADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414922700 309109381 /nfs/dbraw/zinc/10/93/81/309109381.db2.gz CWTQINVIWUAEOR-OAHLLOKOSA-N 2 2 338.430 3.424 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2)cs1 ZINC000414937970 309110074 /nfs/dbraw/zinc/11/00/74/309110074.db2.gz VTSYVPBYOILKRF-FZKQIMNGSA-N 2 2 331.485 3.118 20 0 EGADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H](C)C[NH3+])c1 ZINC000414937017 309110211 /nfs/dbraw/zinc/11/02/11/309110211.db2.gz CSBHVPHJXQNSRI-HNNXBMFYSA-N 2 2 338.430 3.424 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414938700 309110235 /nfs/dbraw/zinc/11/02/35/309110235.db2.gz DIODDOAAUCSKDW-CYBMUJFWSA-N 2 2 334.895 3.289 20 0 EGADLP COCc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414961302 309111617 /nfs/dbraw/zinc/11/16/17/309111617.db2.gz YSNGWHQHHBOPPE-PXNSSMCTSA-N 2 2 346.421 3.347 20 0 EGADLP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000415058092 309117326 /nfs/dbraw/zinc/11/73/26/309117326.db2.gz SIRMQKZFVOHYHE-KRWDZBQOSA-N 3 2 343.437 3.473 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000415065213 309117890 /nfs/dbraw/zinc/11/78/90/309117890.db2.gz MJIOSBIAGJOZMH-IAGOWNOFSA-N 2 2 331.485 3.347 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccccc1OCCOC ZINC000415066846 309117954 /nfs/dbraw/zinc/11/79/54/309117954.db2.gz OKVVYXHPTAHWNG-IBGZPJMESA-N 2 2 328.456 3.064 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCCC1 ZINC000415070365 309118103 /nfs/dbraw/zinc/11/81/03/309118103.db2.gz UTTALNZMZROJQG-OAHLLOKOSA-N 2 2 345.468 3.146 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCCC[NH2+]C3)cc2)cs1 ZINC000415070953 309118359 /nfs/dbraw/zinc/11/83/59/309118359.db2.gz RURNGBHJLYVWFD-MRXNPFEDSA-N 2 2 331.485 3.262 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415076516 309118445 /nfs/dbraw/zinc/11/84/45/309118445.db2.gz CSLGMHJYBFAVSL-APWZRJJASA-N 2 2 326.488 3.128 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415139565 309123391 /nfs/dbraw/zinc/12/33/91/309123391.db2.gz ZXDPDDKZNUSEKV-JKSUJKDBSA-N 2 2 345.512 3.447 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415139565 309123392 /nfs/dbraw/zinc/12/33/92/309123392.db2.gz ZXDPDDKZNUSEKV-JKSUJKDBSA-N 2 2 345.512 3.447 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415183165 309125205 /nfs/dbraw/zinc/12/52/05/309125205.db2.gz IDGWVBPLKBDFIG-GOSISDBHSA-N 2 2 328.416 3.369 20 0 EGADLP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415192437 309125761 /nfs/dbraw/zinc/12/57/61/309125761.db2.gz WYJUCDWETCEZQR-HNNXBMFYSA-N 2 2 326.400 3.090 20 0 EGADLP CO[C@@H](CC(C)C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000419215121 309261538 /nfs/dbraw/zinc/26/15/38/309261538.db2.gz LJYDPSWRSSTAQG-FQEVSTJZSA-N 2 2 333.520 3.081 20 0 EGADLP CO[C@@H](CC(C)C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000419215121 309261539 /nfs/dbraw/zinc/26/15/39/309261539.db2.gz LJYDPSWRSSTAQG-FQEVSTJZSA-N 2 2 333.520 3.081 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)n1C ZINC000419691012 309271021 /nfs/dbraw/zinc/27/10/21/309271021.db2.gz LROMNMHMHCAMRQ-QGZVFWFLSA-N 2 2 328.435 3.351 20 0 EGADLP Cc1[nH+]c2cc(NCc3cn4ccccc4[nH+]3)ccc2n1[C@@H](C)CO ZINC000419756756 309271592 /nfs/dbraw/zinc/27/15/92/309271592.db2.gz BJPTWTDRCHXFKS-ZDUSSCGKSA-N 2 2 335.411 3.158 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420271932 309278979 /nfs/dbraw/zinc/27/89/79/309278979.db2.gz KYLCOPKDJYXHTR-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420271932 309278980 /nfs/dbraw/zinc/27/89/80/309278980.db2.gz KYLCOPKDJYXHTR-GOSISDBHSA-N 2 2 325.456 3.092 20 0 EGADLP C[N@H+](CC(C)(C)C[NH3+])[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420293275 309279761 /nfs/dbraw/zinc/27/97/61/309279761.db2.gz QSJIZINRTFIUGC-GOSISDBHSA-N 2 2 343.446 3.422 20 0 EGADLP C[N@@H+](CC(C)(C)C[NH3+])[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420293275 309279762 /nfs/dbraw/zinc/27/97/62/309279762.db2.gz QSJIZINRTFIUGC-GOSISDBHSA-N 2 2 343.446 3.422 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CCC1 ZINC000420310941 309281237 /nfs/dbraw/zinc/28/12/37/309281237.db2.gz QKUMSZGEASCTQG-UHFFFAOYSA-N 2 2 340.452 3.035 20 0 EGADLP CC[N@@H+](Cc1ccccc1Cl)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420326297 309282378 /nfs/dbraw/zinc/28/23/78/309282378.db2.gz XDHICWFRSDZMEJ-OALUTQOASA-N 2 2 332.875 3.093 20 0 EGADLP CC[N@H+](Cc1ccccc1Cl)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420326297 309282379 /nfs/dbraw/zinc/28/23/79/309282379.db2.gz XDHICWFRSDZMEJ-OALUTQOASA-N 2 2 332.875 3.093 20 0 EGADLP CCN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)[C@H](C)c1ccc(F)cc1 ZINC000420357941 309283905 /nfs/dbraw/zinc/28/39/05/309283905.db2.gz DYPBUBIFQQYQBU-DNVCBOLYSA-N 2 2 349.494 3.232 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420360874 309284019 /nfs/dbraw/zinc/28/40/19/309284019.db2.gz HNVADCGBPGPCLN-ZXFNITATSA-N 2 2 331.504 3.115 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000420358750 309284164 /nfs/dbraw/zinc/28/41/64/309284164.db2.gz JCWRZURIEFFYPM-LBPRGKRZSA-N 2 2 333.220 3.205 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420370960 309284793 /nfs/dbraw/zinc/28/47/93/309284793.db2.gz WJZMKAUBOBBODO-QMTHXVAHSA-N 2 2 346.302 3.134 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000420375534 309285030 /nfs/dbraw/zinc/28/50/30/309285030.db2.gz TXECDUITLRDTML-AZUAARDMSA-N 2 2 349.494 3.136 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378981 309285371 /nfs/dbraw/zinc/28/53/71/309285371.db2.gz UVJGIWVGUQQSNS-CXAGYDPISA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378981 309285372 /nfs/dbraw/zinc/28/53/72/309285372.db2.gz UVJGIWVGUQQSNS-CXAGYDPISA-N 2 2 326.843 3.242 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392038 309285964 /nfs/dbraw/zinc/28/59/64/309285964.db2.gz IVLZGGSZQCOAHZ-UKRRQHHQSA-N 2 2 334.414 3.395 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392038 309285965 /nfs/dbraw/zinc/28/59/65/309285965.db2.gz IVLZGGSZQCOAHZ-UKRRQHHQSA-N 2 2 334.414 3.395 20 0 EGADLP [NH3+]Cc1nc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)no1 ZINC000420395523 309286297 /nfs/dbraw/zinc/28/62/97/309286297.db2.gz DMJBRDKLRRCGBO-RXVVDRJESA-N 2 2 348.450 3.479 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420798866 309295366 /nfs/dbraw/zinc/29/53/66/309295366.db2.gz XNBIQJNQIVHPDW-GOSISDBHSA-N 2 2 332.492 3.152 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420798866 309295367 /nfs/dbraw/zinc/29/53/67/309295367.db2.gz XNBIQJNQIVHPDW-GOSISDBHSA-N 2 2 332.492 3.152 20 0 EGADLP C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931216 309302219 /nfs/dbraw/zinc/30/22/19/309302219.db2.gz GGQSCBUUAPYLMC-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931216 309302220 /nfs/dbraw/zinc/30/22/20/309302220.db2.gz GGQSCBUUAPYLMC-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958808 309304308 /nfs/dbraw/zinc/30/43/08/309304308.db2.gz PMFNULBXSHHMJM-QHAWAJNXSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958808 309304309 /nfs/dbraw/zinc/30/43/09/309304309.db2.gz PMFNULBXSHHMJM-QHAWAJNXSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958808 309304310 /nfs/dbraw/zinc/30/43/10/309304310.db2.gz PMFNULBXSHHMJM-QHAWAJNXSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](CC)O1 ZINC000420958808 309304311 /nfs/dbraw/zinc/30/43/11/309304311.db2.gz PMFNULBXSHHMJM-QHAWAJNXSA-N 2 2 346.515 3.167 20 0 EGADLP c1cc2c(o1)CCC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420961314 309304603 /nfs/dbraw/zinc/30/46/03/309304603.db2.gz JBRDQUZHORZTBN-UHFFFAOYSA-N 2 2 326.440 3.060 20 0 EGADLP c1cc2c(o1)CCC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420961314 309304604 /nfs/dbraw/zinc/30/46/04/309304604.db2.gz JBRDQUZHORZTBN-UHFFFAOYSA-N 2 2 326.440 3.060 20 0 EGADLP Cc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000421576036 309330493 /nfs/dbraw/zinc/33/04/93/309330493.db2.gz LLQIXWUGJZRFLO-UHFFFAOYSA-N 2 2 337.467 3.227 20 0 EGADLP Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000421706020 309335729 /nfs/dbraw/zinc/33/57/29/309335729.db2.gz TXCIFJPCMVWCQL-KRWDZBQOSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000421706020 309335730 /nfs/dbraw/zinc/33/57/30/309335730.db2.gz TXCIFJPCMVWCQL-KRWDZBQOSA-N 2 2 339.439 3.349 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3(C)CCCCC3)CC2)CC1 ZINC000422021468 309351452 /nfs/dbraw/zinc/35/14/52/309351452.db2.gz NOZUIUABBWQZRX-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3(C)CCCCC3)CC2)CC1 ZINC000422021468 309351453 /nfs/dbraw/zinc/35/14/53/309351453.db2.gz NOZUIUABBWQZRX-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP Cc1cc(CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)cc(C)[nH+]1 ZINC000422202847 309357786 /nfs/dbraw/zinc/35/77/86/309357786.db2.gz HVDSTTWNGNIWEP-UHFFFAOYSA-N 2 2 346.519 3.352 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)CC[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000422572198 309362025 /nfs/dbraw/zinc/36/20/25/309362025.db2.gz JCKVDIBFPFUXCR-AWEZNQCLSA-N 2 2 333.480 3.018 20 0 EGADLP CCOc1cc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000422696284 309363544 /nfs/dbraw/zinc/36/35/44/309363544.db2.gz RDWPTUPEKWHENM-KGLIPLIRSA-N 2 2 328.403 3.307 20 0 EGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C1CCC([NH3+])CC1 ZINC000422727864 309365366 /nfs/dbraw/zinc/36/53/66/309365366.db2.gz IHSDMNUKHFXXOG-SOAGJPPSSA-N 3 2 329.532 3.319 20 0 EGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C1CCC([NH3+])CC1 ZINC000422727864 309365367 /nfs/dbraw/zinc/36/53/67/309365367.db2.gz IHSDMNUKHFXXOG-SOAGJPPSSA-N 3 2 329.532 3.319 20 0 EGADLP CCC(CC)(C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000422773974 309367817 /nfs/dbraw/zinc/36/78/17/309367817.db2.gz ZNEOTWYTYLPJHY-WSTZPKSXSA-N 3 2 347.547 3.253 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Br)cccc32)CCC1 ZINC000423334368 309395706 /nfs/dbraw/zinc/39/57/06/309395706.db2.gz SVKYUOZJIVSCHO-ZDUSSCGKSA-N 2 2 325.250 3.134 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000422802640 309369305 /nfs/dbraw/zinc/36/93/05/309369305.db2.gz HSHFADSPJCKVAL-PKOBYXMFSA-N 2 2 326.440 3.287 20 0 EGADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422838597 309371103 /nfs/dbraw/zinc/37/11/03/309371103.db2.gz XRNWFWGUGMLIIW-HSALFYBXSA-N 2 2 338.499 3.136 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422845791 309371753 /nfs/dbraw/zinc/37/17/53/309371753.db2.gz OQBIJEDXEQDQCK-LZQZEXGQSA-N 2 2 335.923 3.455 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000422879224 309373590 /nfs/dbraw/zinc/37/35/90/309373590.db2.gz LWYHSBJBZYAYGS-BXUZGUMPSA-N 2 2 327.266 3.078 20 0 EGADLP CC(C)(C)c1nnc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422924057 309376408 /nfs/dbraw/zinc/37/64/08/309376408.db2.gz ALLIRTITPCZIHU-CABCVRRESA-N 2 2 330.501 3.419 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422968934 309378970 /nfs/dbraw/zinc/37/89/70/309378970.db2.gz YATDREMPRJUTLI-JXFKEZNVSA-N 2 2 339.483 3.451 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423003676 309380395 /nfs/dbraw/zinc/38/03/95/309380395.db2.gz MWSOBPGLNGHYGT-CZUORRHYSA-N 2 2 330.394 3.386 20 0 EGADLP FC(F)COc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423028251 309381731 /nfs/dbraw/zinc/38/17/31/309381731.db2.gz SLBQINLJNOKUEA-SJORKVTESA-N 2 2 347.409 3.308 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423048102 309383073 /nfs/dbraw/zinc/38/30/73/309383073.db2.gz HQOQGUZACVIKIN-SUMWQHHRSA-N 2 2 342.874 3.275 20 0 EGADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051218 309383133 /nfs/dbraw/zinc/38/31/33/309383133.db2.gz MRXDBBBEEFBJQO-RYUDHWBXSA-N 2 2 348.082 3.181 20 0 EGADLP C[C@@H]([NH2+][C@H]1CSc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000423083066 309384944 /nfs/dbraw/zinc/38/49/44/309384944.db2.gz GDJWXWSLTVYSSP-ICCXJUOJSA-N 2 2 327.291 3.326 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423118456 309386841 /nfs/dbraw/zinc/38/68/41/309386841.db2.gz AQDZWIUJGIJJSJ-BGHVQYPCSA-N 2 2 328.378 3.419 20 0 EGADLP COCCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423183863 309389432 /nfs/dbraw/zinc/38/94/32/309389432.db2.gz ICBFONMVMOXSHT-HOTGVXAUSA-N 2 2 341.293 3.258 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423267748 309393180 /nfs/dbraw/zinc/39/31/80/309393180.db2.gz FTYHORHKMCXARJ-RDTXWAMCSA-N 2 2 338.517 3.037 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423266914 309393255 /nfs/dbraw/zinc/39/32/55/309393255.db2.gz DYIDBFBCFAGXPI-KGLIPLIRSA-N 2 2 327.266 3.236 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423270483 309393401 /nfs/dbraw/zinc/39/34/01/309393401.db2.gz WWTSKBXUQHNBHA-FZKQIMNGSA-N 2 2 333.476 3.212 20 0 EGADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000423295507 309394348 /nfs/dbraw/zinc/39/43/48/309394348.db2.gz DYBWSCRROFJGDX-BBRMVZONSA-N 2 2 326.444 3.089 20 0 EGADLP [NH3+][C@@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)C1CC1 ZINC000423316726 309395034 /nfs/dbraw/zinc/39/50/34/309395034.db2.gz JZYFVXDQNTXYBZ-GJZGRUSLSA-N 2 2 327.241 3.366 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000423327860 309395286 /nfs/dbraw/zinc/39/52/86/309395286.db2.gz KLPBNCRPKMTPPK-OAHLLOKOSA-N 2 2 338.455 3.022 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000423332619 309395434 /nfs/dbraw/zinc/39/54/34/309395434.db2.gz DQUOLANJMVSLFO-RDTXWAMCSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000423351458 309396535 /nfs/dbraw/zinc/39/65/35/309396535.db2.gz ICYOTPOWBBBIOK-WMLDXEAASA-N 2 2 338.455 3.213 20 0 EGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000423358153 309396742 /nfs/dbraw/zinc/39/67/42/309396742.db2.gz BBTNEGJDAAWEPU-URKNILKWSA-N 2 2 331.410 3.465 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000423370917 309397566 /nfs/dbraw/zinc/39/75/66/309397566.db2.gz QBPYHGFKOOBNES-MOFZMDFASA-N 2 2 332.394 3.467 20 0 EGADLP CC(C)(C(=O)NCCCCNc1cccc[nH+]1)[C@H]([NH3+])c1ccccc1 ZINC000423401251 309398682 /nfs/dbraw/zinc/39/86/82/309398682.db2.gz QQTTYBYSIPTMTD-GOSISDBHSA-N 2 2 340.471 3.116 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000423401335 309398687 /nfs/dbraw/zinc/39/86/87/309398687.db2.gz XEFRHFORWYCYGN-SLEUVZQESA-N 2 2 333.867 3.020 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CCC[NH2+]1 ZINC000423413224 309399357 /nfs/dbraw/zinc/39/93/57/309399357.db2.gz JULPRMNMIJJFGS-SJLPKXTDSA-N 2 2 338.879 3.220 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]1 ZINC000423420281 309399633 /nfs/dbraw/zinc/39/96/33/309399633.db2.gz JEKGSIBUGCAYRQ-ZBFHGGJFSA-N 2 2 329.271 3.339 20 0 EGADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423500043 309403127 /nfs/dbraw/zinc/40/31/27/309403127.db2.gz CSFRWRGTIUBKFV-MWLCHTKSSA-N 2 2 335.300 3.400 20 0 EGADLP Cn1c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000423815992 309414313 /nfs/dbraw/zinc/41/43/13/309414313.db2.gz VZPIEHJQDLFVKO-ZDUSSCGKSA-N 2 2 328.460 3.342 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423823966 309414916 /nfs/dbraw/zinc/41/49/16/309414916.db2.gz VFACCEJFRMDKNK-INIZCTEOSA-N 2 2 349.544 3.253 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000430548201 309610354 /nfs/dbraw/zinc/61/03/54/309610354.db2.gz GJFHSBCAQZYEEY-HXUWFJFHSA-N 2 2 325.456 3.255 20 0 EGADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430918308 309620970 /nfs/dbraw/zinc/62/09/70/309620970.db2.gz MPWAGBBOOQUIEE-HOTGVXAUSA-N 2 2 339.483 3.089 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1ccccc1C[NH+]1CCCC1 ZINC000431026946 309623688 /nfs/dbraw/zinc/62/36/88/309623688.db2.gz SZUZXFGEERLNDF-UHFFFAOYSA-N 2 2 338.430 3.342 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432246944 309655686 /nfs/dbraw/zinc/65/56/86/309655686.db2.gz OPIVEEZHOKJJPN-GFCCVEGCSA-N 2 2 337.316 3.237 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444174552 309915372 /nfs/dbraw/zinc/91/53/72/309915372.db2.gz HGRPONXFBXOCJR-KDOFPFPSSA-N 2 2 343.814 3.465 20 0 EGADLP c1cc2c(cc1C[NH+]1CCC([NH+]3CCCC3)CC1)OCCCCO2 ZINC000449010948 310028788 /nfs/dbraw/zinc/02/87/88/310028788.db2.gz NQQBGMYQRAKOJZ-UHFFFAOYSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc2ccccc21 ZINC000449036696 310032042 /nfs/dbraw/zinc/03/20/42/310032042.db2.gz VFEHXVKSQJREFC-UHFFFAOYSA-N 2 2 342.483 3.127 20 0 EGADLP COc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc2ccccc21 ZINC000449036696 310032043 /nfs/dbraw/zinc/03/20/43/310032043.db2.gz VFEHXVKSQJREFC-UHFFFAOYSA-N 2 2 342.483 3.127 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C[C@H](C)O1 ZINC000449070298 310034561 /nfs/dbraw/zinc/03/45/61/310034561.db2.gz JPFYNPFGOUPMBV-TYNCELHUSA-N 2 2 342.405 3.180 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)C[C@H](C)O1 ZINC000449070298 310034562 /nfs/dbraw/zinc/03/45/62/310034562.db2.gz JPFYNPFGOUPMBV-TYNCELHUSA-N 2 2 342.405 3.180 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449086316 310036099 /nfs/dbraw/zinc/03/60/99/310036099.db2.gz CASWHWHGLRUXNS-IBGZPJMESA-N 2 2 332.463 3.481 20 0 EGADLP c1cc(C[NH2+][C@@H]2CCCC23CCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC000449104671 310037359 /nfs/dbraw/zinc/03/73/59/310037359.db2.gz WIQSRAIWUKVUCD-HXUWFJFHSA-N 2 2 344.499 3.210 20 0 EGADLP CSCC1CCC([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212826 310044994 /nfs/dbraw/zinc/04/49/94/310044994.db2.gz VNBLEKYHVPXCDD-GUMHCPJTSA-N 2 2 348.556 3.133 20 0 EGADLP CSCC1CCC([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212826 310044995 /nfs/dbraw/zinc/04/49/95/310044995.db2.gz VNBLEKYHVPXCDD-GUMHCPJTSA-N 2 2 348.556 3.133 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329755 310054039 /nfs/dbraw/zinc/05/40/39/310054039.db2.gz JKPHWVOEDWDLKQ-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329755 310054040 /nfs/dbraw/zinc/05/40/40/310054040.db2.gz JKPHWVOEDWDLKQ-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(Br)c1F ZINC000449329755 310054041 /nfs/dbraw/zinc/05/40/41/310054041.db2.gz JKPHWVOEDWDLKQ-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(Br)c1F ZINC000449329755 310054042 /nfs/dbraw/zinc/05/40/42/310054042.db2.gz JKPHWVOEDWDLKQ-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1ccncc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449527092 310069272 /nfs/dbraw/zinc/06/92/72/310069272.db2.gz ZHVRDERDHKNQKN-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000449526607 310069384 /nfs/dbraw/zinc/06/93/84/310069384.db2.gz WTPAFRYPPGUULU-NHCUHLMSSA-N 2 2 341.499 3.388 20 0 EGADLP CCc1cc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc[nH+]1 ZINC000450225379 310109483 /nfs/dbraw/zinc/10/94/83/310109483.db2.gz AMRIZYDSUAYCCP-UHFFFAOYSA-N 2 2 325.460 3.192 20 0 EGADLP CN(C)c1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]c2ccccc21 ZINC000450342427 310116686 /nfs/dbraw/zinc/11/66/86/310116686.db2.gz AIINEEMCJPDEDP-MRXNPFEDSA-N 2 2 339.487 3.151 20 0 EGADLP CC1=C(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCC(C)(C)C1 ZINC000450362621 310118049 /nfs/dbraw/zinc/11/80/49/310118049.db2.gz IFAOKMULEZMABH-QGZVFWFLSA-N 2 2 347.547 3.140 20 0 EGADLP CC1=C(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCC(C)(C)C1 ZINC000450362621 310118050 /nfs/dbraw/zinc/11/80/50/310118050.db2.gz IFAOKMULEZMABH-QGZVFWFLSA-N 2 2 347.547 3.140 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000450498998 310126629 /nfs/dbraw/zinc/12/66/29/310126629.db2.gz INSGCKZIEFMMKU-OAHLLOKOSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000450498998 310126630 /nfs/dbraw/zinc/12/66/30/310126630.db2.gz INSGCKZIEFMMKU-OAHLLOKOSA-N 2 2 346.814 3.175 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646047 310191051 /nfs/dbraw/zinc/19/10/51/310191051.db2.gz CZIQRKXMXHUDQH-WOJBJXKFSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646047 310191052 /nfs/dbraw/zinc/19/10/52/310191052.db2.gz CZIQRKXMXHUDQH-WOJBJXKFSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646047 310191053 /nfs/dbraw/zinc/19/10/53/310191053.db2.gz CZIQRKXMXHUDQH-WOJBJXKFSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCSC[C@@H]3C3CC3)C2)cc1 ZINC000451646047 310191054 /nfs/dbraw/zinc/19/10/54/310191054.db2.gz CZIQRKXMXHUDQH-WOJBJXKFSA-N 2 2 346.540 3.105 20 0 EGADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000453079247 310256554 /nfs/dbraw/zinc/25/65/54/310256554.db2.gz ZDILGOJUEPWWCE-NQIIRXRSSA-N 2 2 338.499 3.470 20 0 EGADLP CC[N@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000453083543 310256762 /nfs/dbraw/zinc/25/67/62/310256762.db2.gz DJZMWNPQKWFLAZ-KRWDZBQOSA-N 2 2 334.895 3.483 20 0 EGADLP CC[N@@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C(C)C ZINC000453083543 310256763 /nfs/dbraw/zinc/25/67/63/310256763.db2.gz DJZMWNPQKWFLAZ-KRWDZBQOSA-N 2 2 334.895 3.483 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccncc1 ZINC000453132864 310260163 /nfs/dbraw/zinc/26/01/63/310260163.db2.gz UOFZDNPCFQYPRL-ACRUOGEOSA-N 2 2 339.483 3.005 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccncc1 ZINC000453132864 310260164 /nfs/dbraw/zinc/26/01/64/310260164.db2.gz UOFZDNPCFQYPRL-ACRUOGEOSA-N 2 2 339.483 3.005 20 0 EGADLP CC[NH+](CC)[C@H](C)CN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453214430 310264613 /nfs/dbraw/zinc/26/46/13/310264613.db2.gz JSYXKPHBEODYTI-RHSMWYFYSA-N 2 2 334.895 3.483 20 0 EGADLP COC[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000453239017 310266155 /nfs/dbraw/zinc/26/61/55/310266155.db2.gz RDLIQKIMBQHEGV-QGZVFWFLSA-N 2 2 349.862 3.057 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)c2[nH+]ccn2CC)C1 ZINC000454482504 310312128 /nfs/dbraw/zinc/31/21/28/310312128.db2.gz JGQXVKAHOLOOQH-CVEARBPZSA-N 2 2 349.523 3.164 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2[nH+]ccn2CC)C1 ZINC000454482504 310312129 /nfs/dbraw/zinc/31/21/29/310312129.db2.gz JGQXVKAHOLOOQH-CVEARBPZSA-N 2 2 349.523 3.164 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457793471 310472677 /nfs/dbraw/zinc/47/26/77/310472677.db2.gz WLSLGDWCYWOJEA-GOSISDBHSA-N 2 2 344.503 3.221 20 0 EGADLP Cc1cc(N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nc(C(C)C)[nH+]1 ZINC000462823596 310606243 /nfs/dbraw/zinc/60/62/43/310606243.db2.gz WCXTYJKPWZQLND-AWEZNQCLSA-N 2 2 327.476 3.251 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]CCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c(C)c1 ZINC000479539930 310877481 /nfs/dbraw/zinc/87/74/81/310877481.db2.gz HWWUBCKWQNMGSF-IRXDYDNUSA-N 2 2 329.488 3.374 20 0 EGADLP Cc1ccc(CCC[NH2+]CC2=CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000492457117 311253198 /nfs/dbraw/zinc/25/31/98/311253198.db2.gz NVIWXDDUCOADIS-UHFFFAOYSA-N 2 2 345.487 3.479 20 0 EGADLP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000492456843 311253267 /nfs/dbraw/zinc/25/32/67/311253267.db2.gz MQWPCKFAIBMKCA-AEFFLSMTSA-N 2 2 333.476 3.169 20 0 EGADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000493145982 311334020 /nfs/dbraw/zinc/33/40/20/311334020.db2.gz FAAXAMKEOLBGHR-MOEXGYKKSA-N 2 2 344.846 3.030 20 0 EGADLP FC(F)Oc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000494427491 311477103 /nfs/dbraw/zinc/47/71/03/311477103.db2.gz SGBLEXOSRAPAGV-NSHDSACASA-N 2 2 327.762 3.243 20 0 EGADLP Cc1cccn2c(CN3CC[NH+](C/C=C\c4ccccc4)CC3)c[nH+]c12 ZINC000505842501 312036380 /nfs/dbraw/zinc/03/63/80/312036380.db2.gz KSCZALZVBPWVDQ-POHAHGRESA-N 2 2 346.478 3.474 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)n2c1 ZINC000505858133 312036895 /nfs/dbraw/zinc/03/68/95/312036895.db2.gz BEPXAVSWSPYJQX-VMPITWQZSA-N 2 2 346.478 3.474 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506489536 312050212 /nfs/dbraw/zinc/05/02/12/312050212.db2.gz VTDVYFRKPVKOCI-SLFFLAALSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506489536 312050213 /nfs/dbraw/zinc/05/02/13/312050213.db2.gz VTDVYFRKPVKOCI-SLFFLAALSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506489536 312050216 /nfs/dbraw/zinc/05/02/16/312050216.db2.gz VTDVYFRKPVKOCI-SLFFLAALSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506489536 312050218 /nfs/dbraw/zinc/05/02/18/312050218.db2.gz VTDVYFRKPVKOCI-SLFFLAALSA-N 2 2 349.563 3.364 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000507809775 312082942 /nfs/dbraw/zinc/08/29/42/312082942.db2.gz FDHFNYNPPIKPQY-VQIMIIECSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000507809775 312082945 /nfs/dbraw/zinc/08/29/45/312082945.db2.gz FDHFNYNPPIKPQY-VQIMIIECSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000509129514 312109781 /nfs/dbraw/zinc/10/97/81/312109781.db2.gz WXJHTZZXOIQEED-KRWDZBQOSA-N 2 2 339.483 3.496 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCCCC2)c(C)c1OC ZINC000514086507 312224246 /nfs/dbraw/zinc/22/42/46/312224246.db2.gz BBRCRFMQPGLYEA-INIZCTEOSA-N 2 2 334.504 3.409 20 0 EGADLP COc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000516257651 312318052 /nfs/dbraw/zinc/31/80/52/312318052.db2.gz CCUASRLVOOTNNH-LJQANCHMSA-N 2 2 332.488 3.115 20 0 EGADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000516296171 312319030 /nfs/dbraw/zinc/31/90/30/312319030.db2.gz FEXXINXDKOVZHE-VXGBXAGGSA-N 2 2 333.819 3.383 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661045 312335977 /nfs/dbraw/zinc/33/59/77/312335977.db2.gz JVUBKRBMUDUGDZ-AEFFLSMTSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661045 312335978 /nfs/dbraw/zinc/33/59/78/312335978.db2.gz JVUBKRBMUDUGDZ-AEFFLSMTSA-N 2 2 349.906 3.076 20 0 EGADLP C[N@H+](CC[NH2+]CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000516705801 312338383 /nfs/dbraw/zinc/33/83/83/312338383.db2.gz BHZJXLHNZHHRQC-UHFFFAOYSA-N 2 2 345.874 3.390 20 0 EGADLP C[N@@H+](CC[NH2+]CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000516705801 312338384 /nfs/dbraw/zinc/33/83/84/312338384.db2.gz BHZJXLHNZHHRQC-UHFFFAOYSA-N 2 2 345.874 3.390 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](c3ccnn3C)C1)CCC2 ZINC000517582720 312384804 /nfs/dbraw/zinc/38/48/04/312384804.db2.gz UJOSWFIRULUFLF-ULQDDVLXSA-N 2 2 327.476 3.118 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000518962887 312434148 /nfs/dbraw/zinc/43/41/48/312434148.db2.gz OVLVBUCLXPWZAA-UHFFFAOYSA-N 2 2 325.416 3.089 20 0 EGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527673228 312906780 /nfs/dbraw/zinc/90/67/80/312906780.db2.gz GJIGLDFHAHRIAL-ZIAGYGMSSA-N 2 2 348.434 3.234 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)cn1 ZINC000528043579 313005507 /nfs/dbraw/zinc/00/55/07/313005507.db2.gz OCERMHNHNMERIA-HXUWFJFHSA-N 2 2 338.455 3.195 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383421 313079425 /nfs/dbraw/zinc/07/94/25/313079425.db2.gz VXUJMHCPLQWVOB-RBUKOAKNSA-N 2 2 345.462 3.479 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383421 313079427 /nfs/dbraw/zinc/07/94/27/313079427.db2.gz VXUJMHCPLQWVOB-RBUKOAKNSA-N 2 2 345.462 3.479 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396169 313083339 /nfs/dbraw/zinc/08/33/39/313083339.db2.gz OFICJHCZVLPWSZ-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396169 313083342 /nfs/dbraw/zinc/08/33/42/313083342.db2.gz OFICJHCZVLPWSZ-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396169 313083345 /nfs/dbraw/zinc/08/33/45/313083345.db2.gz OFICJHCZVLPWSZ-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396169 313083348 /nfs/dbraw/zinc/08/33/48/313083348.db2.gz OFICJHCZVLPWSZ-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CCCOc1cccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528728171 313157777 /nfs/dbraw/zinc/15/77/77/313157777.db2.gz YXIUAKDLEJLYKJ-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP CN(CC[N@H+](C)Cc1ccsc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000529564067 313356362 /nfs/dbraw/zinc/35/63/62/313356362.db2.gz BMHMYYHURIZZLZ-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccsc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000529564067 313356364 /nfs/dbraw/zinc/35/63/64/313356364.db2.gz BMHMYYHURIZZLZ-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccsc1C(F)(F)F ZINC000529564067 313356366 /nfs/dbraw/zinc/35/63/66/313356366.db2.gz BMHMYYHURIZZLZ-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccsc1C(F)(F)F ZINC000529564067 313356367 /nfs/dbraw/zinc/35/63/67/313356367.db2.gz BMHMYYHURIZZLZ-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582485 313361537 /nfs/dbraw/zinc/36/15/37/313361537.db2.gz MQJIBSBHCPXDDH-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582485 313361540 /nfs/dbraw/zinc/36/15/40/313361540.db2.gz MQJIBSBHCPXDDH-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582485 313361542 /nfs/dbraw/zinc/36/15/42/313361542.db2.gz MQJIBSBHCPXDDH-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582485 313361545 /nfs/dbraw/zinc/36/15/45/313361545.db2.gz MQJIBSBHCPXDDH-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cccc([C@H]2C[N@@H+](Cc3c[nH+]c(N(C)C)n3C)CC2(C)C)c1 ZINC000529642351 313376209 /nfs/dbraw/zinc/37/62/09/313376209.db2.gz VZMBZFGZXYYQJI-GOSISDBHSA-N 2 2 342.487 3.120 20 0 EGADLP CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000532204128 313768350 /nfs/dbraw/zinc/76/83/50/313768350.db2.gz GDXKAYOWYIAHRQ-AZUAARDMSA-N 2 2 332.488 3.066 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863047 314003162 /nfs/dbraw/zinc/00/31/62/314003162.db2.gz UUNNPMRRGXTFHC-WMZOPIPTSA-N 2 2 344.503 3.138 20 0 EGADLP Fc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c2c(c1)COCO2 ZINC000535576405 314053169 /nfs/dbraw/zinc/05/31/69/314053169.db2.gz QFNWPFBPCXZMNM-UHFFFAOYSA-N 2 2 343.402 3.164 20 0 EGADLP COc1cc2c(cc1C[NH+]1CCC(n3cc[nH+]c3)CC1)O[C@H](C)C2 ZINC000536653810 314135322 /nfs/dbraw/zinc/13/53/22/314135322.db2.gz AUHWJHYHTYEKMP-CQSZACIVSA-N 2 2 327.428 3.052 20 0 EGADLP OCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000537694440 314203084 /nfs/dbraw/zinc/20/30/84/314203084.db2.gz LESHQPXLTZFHBB-GHTZIAJQSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000537694440 314203087 /nfs/dbraw/zinc/20/30/87/314203087.db2.gz LESHQPXLTZFHBB-GHTZIAJQSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000537694440 314203089 /nfs/dbraw/zinc/20/30/89/314203089.db2.gz LESHQPXLTZFHBB-GHTZIAJQSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000537694440 314203092 /nfs/dbraw/zinc/20/30/92/314203092.db2.gz LESHQPXLTZFHBB-GHTZIAJQSA-N 2 2 340.467 3.258 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000538256741 314235760 /nfs/dbraw/zinc/23/57/60/314235760.db2.gz BMQCMWUXJFTXGT-XSYGEPLQSA-N 2 2 348.531 3.142 20 0 EGADLP CC[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724170 314270088 /nfs/dbraw/zinc/27/00/88/314270088.db2.gz WINMXIRCXWMMED-ZVDOUQERSA-N 2 2 329.532 3.138 20 0 EGADLP CC[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724170 314270090 /nfs/dbraw/zinc/27/00/90/314270090.db2.gz WINMXIRCXWMMED-ZVDOUQERSA-N 2 2 329.532 3.138 20 0 EGADLP CC[NH+](CC)CCCC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000542037894 314514131 /nfs/dbraw/zinc/51/41/31/314514131.db2.gz KRBHSWGDGHJIGO-UHFFFAOYSA-N 2 2 341.503 3.381 20 0 EGADLP Cn1cc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccc(F)cc2)cn1 ZINC000547507381 314910819 /nfs/dbraw/zinc/91/08/19/314910819.db2.gz IXKASCGKJJJGEL-FQEVSTJZSA-N 2 2 342.462 3.113 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000549116771 315076606 /nfs/dbraw/zinc/07/66/06/315076606.db2.gz PKQRWYPRNWPHBK-HUUCEWRRSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000549116771 315076607 /nfs/dbraw/zinc/07/66/07/315076607.db2.gz PKQRWYPRNWPHBK-HUUCEWRRSA-N 2 2 337.423 3.229 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(F)c3Cl)C2)CC1 ZINC000549859838 315108156 /nfs/dbraw/zinc/10/81/56/315108156.db2.gz CDHUWTRFQCKMOZ-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C2)CC1 ZINC000549859838 315108159 /nfs/dbraw/zinc/10/81/59/315108159.db2.gz CDHUWTRFQCKMOZ-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708233 315132796 /nfs/dbraw/zinc/13/27/96/315132796.db2.gz FYIBFUBPEVXYTA-OTWHNJEPSA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708233 315132800 /nfs/dbraw/zinc/13/28/00/315132800.db2.gz FYIBFUBPEVXYTA-OTWHNJEPSA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000550708233 315132802 /nfs/dbraw/zinc/13/28/02/315132802.db2.gz FYIBFUBPEVXYTA-OTWHNJEPSA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000550708233 315132806 /nfs/dbraw/zinc/13/28/06/315132806.db2.gz FYIBFUBPEVXYTA-OTWHNJEPSA-N 2 2 337.552 3.266 20 0 EGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000551559786 315158709 /nfs/dbraw/zinc/15/87/09/315158709.db2.gz YOIBOAIKRWPORI-CALCHBBNSA-N 2 2 328.504 3.489 20 0 EGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000551559786 315158713 /nfs/dbraw/zinc/15/87/13/315158713.db2.gz YOIBOAIKRWPORI-CALCHBBNSA-N 2 2 328.504 3.489 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000554718249 315345040 /nfs/dbraw/zinc/34/50/40/315345040.db2.gz QPEZCKRWTRFYMR-RISCZKNCSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000554718249 315345041 /nfs/dbraw/zinc/34/50/41/315345041.db2.gz QPEZCKRWTRFYMR-RISCZKNCSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000554795431 315349184 /nfs/dbraw/zinc/34/91/84/315349184.db2.gz DTQGQMRVKOGCFH-RDTXWAMCSA-N 2 2 337.423 3.086 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000563453735 316024682 /nfs/dbraw/zinc/02/46/82/316024682.db2.gz RULRPJUDQCVFIR-HIFRSBDPSA-N 2 2 326.400 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3C[C@H]3C3CCC3)c2cc1C ZINC000563529792 316033970 /nfs/dbraw/zinc/03/39/70/316033970.db2.gz GHJIWVWNAUZRNS-KSZLIROESA-N 2 2 327.472 3.040 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000564343664 316140723 /nfs/dbraw/zinc/14/07/23/316140723.db2.gz VBTMEFAVNXVOKK-GFCCVEGCSA-N 2 2 330.303 3.443 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000564343664 316140726 /nfs/dbraw/zinc/14/07/26/316140726.db2.gz VBTMEFAVNXVOKK-GFCCVEGCSA-N 2 2 330.303 3.443 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000568654433 316804542 /nfs/dbraw/zinc/80/45/42/316804542.db2.gz QIKFKSAOFDSEOW-SJORKVTESA-N 2 2 347.503 3.122 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)c3ccc(CC[NH+](C)C)cc3)ccc2n1C ZINC000570223843 317024871 /nfs/dbraw/zinc/02/48/71/317024871.db2.gz GWWRYKJLIAYLTH-UHFFFAOYSA-N 2 2 336.439 3.238 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889422 317120596 /nfs/dbraw/zinc/12/05/96/317120596.db2.gz XMXBDODHYFRWCP-GUYCJALGSA-N 2 2 343.298 3.489 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889422 317120600 /nfs/dbraw/zinc/12/06/00/317120600.db2.gz XMXBDODHYFRWCP-GUYCJALGSA-N 2 2 343.298 3.489 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571030606 317141779 /nfs/dbraw/zinc/14/17/79/317141779.db2.gz HEMLGINZCTXPTG-VAMGGRTRSA-N 2 2 338.499 3.310 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571030606 317141782 /nfs/dbraw/zinc/14/17/82/317141782.db2.gz HEMLGINZCTXPTG-VAMGGRTRSA-N 2 2 338.499 3.310 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c2)cc1 ZINC000572234322 317309761 /nfs/dbraw/zinc/30/97/61/317309761.db2.gz RZQRAHAROXEXTQ-OXJNMPFZSA-N 2 2 337.467 3.477 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000572304154 317318688 /nfs/dbraw/zinc/31/86/88/317318688.db2.gz GZBVOPKHSFIMKB-IAGOWNOFSA-N 3 2 340.515 3.496 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1COc3ccccc3C1)C2 ZINC000572623276 317366763 /nfs/dbraw/zinc/36/67/63/317366763.db2.gz VAIWUSQODSHTIR-CVEARBPZSA-N 2 2 325.456 3.089 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c[nH+]1 ZINC000574769257 317635517 /nfs/dbraw/zinc/63/55/17/317635517.db2.gz UWQRKZNLXJVRID-QGZVFWFLSA-N 2 2 331.847 3.271 20 0 EGADLP CS[C@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269045630 455774279 /nfs/dbraw/zinc/77/42/79/455774279.db2.gz WMIIFWZDWOMJIS-CXAGYDPISA-N 2 2 342.936 3.006 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000235149831 456151048 /nfs/dbraw/zinc/15/10/48/456151048.db2.gz LDJGGWLTPHJLJV-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179579842 323394041 /nfs/dbraw/zinc/39/40/41/323394041.db2.gz SLOSVWGPZOBOER-UHFFFAOYSA-N 2 2 340.402 3.323 20 0 EGADLP CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000179579842 323394045 /nfs/dbraw/zinc/39/40/45/323394045.db2.gz SLOSVWGPZOBOER-UHFFFAOYSA-N 2 2 340.402 3.323 20 0 EGADLP CCC[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000579849291 325167957 /nfs/dbraw/zinc/16/79/57/325167957.db2.gz RYARKUSIQUMFMF-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000579849291 325167959 /nfs/dbraw/zinc/16/79/59/325167959.db2.gz RYARKUSIQUMFMF-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000579849291 325167960 /nfs/dbraw/zinc/16/79/60/325167960.db2.gz RYARKUSIQUMFMF-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000579849291 325167961 /nfs/dbraw/zinc/16/79/61/325167961.db2.gz RYARKUSIQUMFMF-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)oc2c1 ZINC000580709314 325286530 /nfs/dbraw/zinc/28/65/30/325286530.db2.gz OTRNESOBJDWWSL-ZDUSSCGKSA-N 2 2 339.443 3.177 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000581423454 325360052 /nfs/dbraw/zinc/36/00/52/325360052.db2.gz PRDOBGCILZIVEQ-GBESFXJTSA-N 2 2 336.414 3.383 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000583494275 325528963 /nfs/dbraw/zinc/52/89/63/325528963.db2.gz HRUMCMBGHGEEIJ-UHFFFAOYSA-N 2 2 325.416 3.148 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(F)c1 ZINC000427879858 458046622 /nfs/dbraw/zinc/04/66/22/458046622.db2.gz USPWNCIEZSPWCP-PWSUYJOCSA-N 2 2 338.224 3.450 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000157793730 455233280 /nfs/dbraw/zinc/23/32/80/455233280.db2.gz JBXGJBBFBPFZLU-QGZVFWFLSA-N 2 2 336.549 3.003 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550267 458408202 /nfs/dbraw/zinc/40/82/02/458408202.db2.gz HQNOWEVXIFDIIG-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550267 458408206 /nfs/dbraw/zinc/40/82/06/458408206.db2.gz HQNOWEVXIFDIIG-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550267 458408207 /nfs/dbraw/zinc/40/82/07/458408207.db2.gz HQNOWEVXIFDIIG-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550267 458408210 /nfs/dbraw/zinc/40/82/10/458408210.db2.gz HQNOWEVXIFDIIG-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+]1CCCCC1 ZINC000180816961 455249941 /nfs/dbraw/zinc/24/99/41/455249941.db2.gz FRDWPVMYWYEJFE-INIZCTEOSA-N 2 2 330.428 3.008 20 0 EGADLP C[C@H](CC[NH2+][C@H](c1nccn1C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000183291913 455271493 /nfs/dbraw/zinc/27/14/93/455271493.db2.gz XLHHJENQLKPYIX-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H](CC[NH2+][C@H](c1nccn1C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000183291913 455271498 /nfs/dbraw/zinc/27/14/98/455271498.db2.gz XLHHJENQLKPYIX-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP [NH3+][C@@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000158167322 455276006 /nfs/dbraw/zinc/27/60/06/455276006.db2.gz MMQWNKQOKZMGOM-CYBMUJFWSA-N 2 2 331.803 3.091 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454308 455305615 /nfs/dbraw/zinc/30/56/15/455305615.db2.gz RYAXXOZTJPIXNI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454308 455305617 /nfs/dbraw/zinc/30/56/17/455305617.db2.gz RYAXXOZTJPIXNI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454308 455305623 /nfs/dbraw/zinc/30/56/23/455305623.db2.gz RYAXXOZTJPIXNI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000245454308 455305626 /nfs/dbraw/zinc/30/56/26/455305626.db2.gz RYAXXOZTJPIXNI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000631834537 460578114 /nfs/dbraw/zinc/57/81/14/460578114.db2.gz ZKSKZQURZZSIRK-LJQANCHMSA-N 2 2 325.456 3.364 20 0 EGADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000631834537 460578115 /nfs/dbraw/zinc/57/81/15/460578115.db2.gz ZKSKZQURZZSIRK-LJQANCHMSA-N 2 2 325.456 3.364 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245590722 455336725 /nfs/dbraw/zinc/33/67/25/455336725.db2.gz KQBCXPAXZGVMJL-BEFAXECRSA-N 2 2 342.487 3.477 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245590722 455336728 /nfs/dbraw/zinc/33/67/28/455336728.db2.gz KQBCXPAXZGVMJL-BEFAXECRSA-N 2 2 342.487 3.477 20 0 EGADLP Fc1ccccc1Oc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000605575929 460607098 /nfs/dbraw/zinc/60/70/98/460607098.db2.gz PMIGVGTZIYEPES-HUUCEWRRSA-N 2 2 330.378 3.408 20 0 EGADLP CC[N@@H+](Cc1nc(C2CC2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108488 453964356 /nfs/dbraw/zinc/96/43/56/453964356.db2.gz JPHQOHDLTWWIOZ-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP CC[N@H+](Cc1nc(C2CC2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108488 453964357 /nfs/dbraw/zinc/96/43/57/453964357.db2.gz JPHQOHDLTWWIOZ-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP OC1CC[NH+](Cc2ccc(CNc3cc[nH+]c4ccncc34)cc2)CC1 ZINC000085683156 454036643 /nfs/dbraw/zinc/03/66/43/454036643.db2.gz CQVZHPIOIOOJAB-UHFFFAOYSA-N 2 2 348.450 3.199 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686982 454114398 /nfs/dbraw/zinc/11/43/98/454114398.db2.gz XPIYVKMQFVQZBV-ZYHUDNBSSA-N 2 2 327.241 3.476 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686982 454114400 /nfs/dbraw/zinc/11/44/00/454114400.db2.gz XPIYVKMQFVQZBV-ZYHUDNBSSA-N 2 2 327.241 3.476 20 0 EGADLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000069710584 454136563 /nfs/dbraw/zinc/13/65/63/454136563.db2.gz ZOUMUNJIPGKTDL-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000119318151 454185465 /nfs/dbraw/zinc/18/54/65/454185465.db2.gz JXKWSKJEBGBGBE-MSOLQXFVSA-N 2 2 331.504 3.485 20 0 EGADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)n1cc[nH+]c1 ZINC000058392747 454196975 /nfs/dbraw/zinc/19/69/75/454196975.db2.gz GINRBFDWOXISSB-QGZVFWFLSA-N 2 2 340.471 3.137 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000119521451 454201082 /nfs/dbraw/zinc/20/10/82/454201082.db2.gz NEQCVSHTZLUSDH-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000119521451 454201085 /nfs/dbraw/zinc/20/10/85/454201085.db2.gz NEQCVSHTZLUSDH-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000119521451 454201086 /nfs/dbraw/zinc/20/10/86/454201086.db2.gz NEQCVSHTZLUSDH-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000119521451 454201089 /nfs/dbraw/zinc/20/10/89/454201089.db2.gz NEQCVSHTZLUSDH-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089799348 454201608 /nfs/dbraw/zinc/20/16/08/454201608.db2.gz LDXOEBOBCSTJIJ-IAKLQOEISA-N 2 2 336.479 3.315 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089799348 454201612 /nfs/dbraw/zinc/20/16/12/454201612.db2.gz LDXOEBOBCSTJIJ-IAKLQOEISA-N 2 2 336.479 3.315 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089799350 454201739 /nfs/dbraw/zinc/20/17/39/454201739.db2.gz LDXOEBOBCSTJIJ-ISTVANCRSA-N 2 2 336.479 3.315 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089799350 454201741 /nfs/dbraw/zinc/20/17/41/454201741.db2.gz LDXOEBOBCSTJIJ-ISTVANCRSA-N 2 2 336.479 3.315 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000130833127 454221788 /nfs/dbraw/zinc/22/17/88/454221788.db2.gz RURBKQCUQZLRCT-IAGOWNOFSA-N 2 2 347.507 3.014 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000130833127 454221791 /nfs/dbraw/zinc/22/17/91/454221791.db2.gz RURBKQCUQZLRCT-IAGOWNOFSA-N 2 2 347.507 3.014 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071837280 454229142 /nfs/dbraw/zinc/22/91/42/454229142.db2.gz CRVGPLQINLKUQR-KRWDZBQOSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071837280 454229146 /nfs/dbraw/zinc/22/91/46/454229146.db2.gz CRVGPLQINLKUQR-KRWDZBQOSA-N 2 2 346.906 3.384 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCCC2 ZINC000089986148 454254451 /nfs/dbraw/zinc/25/44/51/454254451.db2.gz YSNZYLOPANQRJA-VQTJNVASSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000090048310 454266461 /nfs/dbraw/zinc/26/64/61/454266461.db2.gz ZNJVGVGXDUOUPD-OXQOHEQNSA-N 2 2 344.499 3.089 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131698181 454277126 /nfs/dbraw/zinc/27/71/26/454277126.db2.gz LPLPQTDNZIMTKC-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131698181 454277130 /nfs/dbraw/zinc/27/71/30/454277130.db2.gz LPLPQTDNZIMTKC-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000131936972 454300451 /nfs/dbraw/zinc/30/04/51/454300451.db2.gz JONYEJDSGRZGJO-IBGZPJMESA-N 2 2 325.387 3.410 20 0 EGADLP COc1cccc(C[C@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C2CC2)c1 ZINC000120981508 454373097 /nfs/dbraw/zinc/37/30/97/454373097.db2.gz JWOWKXAEVCRGJZ-LZJOCLMNSA-N 2 2 346.515 3.105 20 0 EGADLP CCCOc1c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cccc1OCC ZINC000062254721 454373181 /nfs/dbraw/zinc/37/31/81/454373181.db2.gz BNEQMZSGUDFASS-INIZCTEOSA-N 2 2 331.460 3.497 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OCC(C)C ZINC000062254711 454373189 /nfs/dbraw/zinc/37/31/89/454373189.db2.gz MZRUIECYGHUAKN-INIZCTEOSA-N 2 2 331.460 3.352 20 0 EGADLP CC[C@H](CNC(=O)Nc1cc[nH+]cc1C)[N@@H+]1CCc2ccccc2C1 ZINC000121941021 454496562 /nfs/dbraw/zinc/49/65/62/454496562.db2.gz YQBCRLXINIVBSX-GOSISDBHSA-N 2 2 338.455 3.348 20 0 EGADLP CC[C@H](CNC(=O)Nc1cc[nH+]cc1C)[N@H+]1CCc2ccccc2C1 ZINC000121941021 454496565 /nfs/dbraw/zinc/49/65/65/454496565.db2.gz YQBCRLXINIVBSX-GOSISDBHSA-N 2 2 338.455 3.348 20 0 EGADLP C[C@]1([NH2+]Cc2ccc3nccnc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634984736 460639858 /nfs/dbraw/zinc/63/98/58/460639858.db2.gz AUECSIBZMMACIP-NRFANRHFSA-N 2 2 332.451 3.384 20 0 EGADLP C[C@]1([NH2+]Cc2ccc3nccnc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634984736 460639861 /nfs/dbraw/zinc/63/98/61/460639861.db2.gz AUECSIBZMMACIP-NRFANRHFSA-N 2 2 332.451 3.384 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000092071441 454516412 /nfs/dbraw/zinc/51/64/12/454516412.db2.gz DBWRJIBVVSZJSJ-KBPBESRZSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000092071441 454516415 /nfs/dbraw/zinc/51/64/15/454516415.db2.gz DBWRJIBVVSZJSJ-KBPBESRZSA-N 2 2 327.428 3.121 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000092073876 454517201 /nfs/dbraw/zinc/51/72/01/454517201.db2.gz OXNQFLYBGPGECI-OAHLLOKOSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000092073876 454517206 /nfs/dbraw/zinc/51/72/06/454517206.db2.gz OXNQFLYBGPGECI-OAHLLOKOSA-N 2 2 325.391 3.114 20 0 EGADLP Cc1cccc(NCCNc2nc(-c3ccncc3)[nH+]c(C)c2C)[nH+]1 ZINC000074277688 454553892 /nfs/dbraw/zinc/55/38/92/454553892.db2.gz WMJHHZBTZPEJDU-UHFFFAOYSA-N 2 2 334.427 3.383 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000122831685 454573329 /nfs/dbraw/zinc/57/33/29/454573329.db2.gz LRMSVXMSXUYMIJ-QAPCUYQASA-N 2 2 344.890 3.173 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000122831685 454573333 /nfs/dbraw/zinc/57/33/33/454573333.db2.gz LRMSVXMSXUYMIJ-QAPCUYQASA-N 2 2 344.890 3.173 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134910737 454608521 /nfs/dbraw/zinc/60/85/21/454608521.db2.gz PCRPMKLLDHPVDU-MBOZVWFJSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134910737 454608524 /nfs/dbraw/zinc/60/85/24/454608524.db2.gz PCRPMKLLDHPVDU-MBOZVWFJSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134910737 454608526 /nfs/dbraw/zinc/60/85/26/454608526.db2.gz PCRPMKLLDHPVDU-MBOZVWFJSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134910737 454608528 /nfs/dbraw/zinc/60/85/28/454608528.db2.gz PCRPMKLLDHPVDU-MBOZVWFJSA-N 2 2 347.547 3.115 20 0 EGADLP c1cn(-c2ccccc2)nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945866 454615723 /nfs/dbraw/zinc/61/57/23/454615723.db2.gz QOXISOMZVDXPSQ-UTKZUKDTSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccccc2)nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945866 454615729 /nfs/dbraw/zinc/61/57/29/454615729.db2.gz QOXISOMZVDXPSQ-UTKZUKDTSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134945866 454615735 /nfs/dbraw/zinc/61/57/35/454615735.db2.gz QOXISOMZVDXPSQ-UTKZUKDTSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134945866 454615740 /nfs/dbraw/zinc/61/57/40/454615740.db2.gz QOXISOMZVDXPSQ-UTKZUKDTSA-N 2 2 336.483 3.321 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080933643 454650889 /nfs/dbraw/zinc/65/08/89/454650889.db2.gz FXCYTHYRHLVTDU-WMZOPIPTSA-N 2 2 340.471 3.083 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080933643 454650892 /nfs/dbraw/zinc/65/08/92/454650892.db2.gz FXCYTHYRHLVTDU-WMZOPIPTSA-N 2 2 340.471 3.083 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959296 454658006 /nfs/dbraw/zinc/65/80/06/454658006.db2.gz ZXFZMCDWOSXQFY-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959296 454658008 /nfs/dbraw/zinc/65/80/08/454658008.db2.gz ZXFZMCDWOSXQFY-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961106 454659011 /nfs/dbraw/zinc/65/90/11/454659011.db2.gz PKRAQTMUAFBIIL-MRXNPFEDSA-N 2 2 326.444 3.031 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961106 454659015 /nfs/dbraw/zinc/65/90/15/454659015.db2.gz PKRAQTMUAFBIIL-MRXNPFEDSA-N 2 2 326.444 3.031 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017252 454671960 /nfs/dbraw/zinc/67/19/60/454671960.db2.gz IFAKLMNIZJUOOO-INIZCTEOSA-N 2 2 349.544 3.345 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017252 454671963 /nfs/dbraw/zinc/67/19/63/454671963.db2.gz IFAKLMNIZJUOOO-INIZCTEOSA-N 2 2 349.544 3.345 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)c1 ZINC000093079195 454678812 /nfs/dbraw/zinc/67/88/12/454678812.db2.gz NICXIHSUPSYWOG-UHFFFAOYSA-N 2 2 346.500 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC000106217739 454687018 /nfs/dbraw/zinc/68/70/18/454687018.db2.gz OTKVOHRCYHVANB-SFHVURJKSA-N 2 2 340.471 3.284 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC000106217739 454687021 /nfs/dbraw/zinc/68/70/21/454687021.db2.gz OTKVOHRCYHVANB-SFHVURJKSA-N 2 2 340.471 3.284 20 0 EGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000161613958 454707633 /nfs/dbraw/zinc/70/76/33/454707633.db2.gz IYJUDDWDHVKBLP-UHFFFAOYSA-N 3 2 347.522 3.297 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)OCCCO2 ZINC000093563637 454721285 /nfs/dbraw/zinc/72/12/85/454721285.db2.gz FVLLVKDFGVIGPC-GOSISDBHSA-N 2 2 330.472 3.298 20 0 EGADLP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)OCCCO2 ZINC000093563637 454721289 /nfs/dbraw/zinc/72/12/89/454721289.db2.gz FVLLVKDFGVIGPC-GOSISDBHSA-N 2 2 330.472 3.298 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000136170659 454725459 /nfs/dbraw/zinc/72/54/59/454725459.db2.gz XPZPGUBNGBAYJP-IBGZPJMESA-N 2 2 340.471 3.083 20 0 EGADLP CCn1c2ccc(Br)cc2[nH+]c1NCc1c[nH+]cn1C ZINC000162048955 454748804 /nfs/dbraw/zinc/74/88/04/454748804.db2.gz YDTLBKFOCBMABL-UHFFFAOYSA-N 2 2 334.221 3.164 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000606352798 460654033 /nfs/dbraw/zinc/65/40/33/460654033.db2.gz NWKKESMLZMDJFQ-GOSISDBHSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000606352798 460654038 /nfs/dbraw/zinc/65/40/38/460654038.db2.gz NWKKESMLZMDJFQ-GOSISDBHSA-N 2 2 338.455 3.309 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCCO2 ZINC000153298501 454779647 /nfs/dbraw/zinc/77/96/47/454779647.db2.gz KJHXBVYBZBMKME-QFBILLFUSA-N 2 2 332.488 3.075 20 0 EGADLP C[N@H+](CCc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000137579558 454781654 /nfs/dbraw/zinc/78/16/54/454781654.db2.gz PPYYDMZLDOACDQ-UHFFFAOYSA-N 2 2 341.474 3.402 20 0 EGADLP C[N@@H+](CCc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000137579558 454781656 /nfs/dbraw/zinc/78/16/56/454781656.db2.gz PPYYDMZLDOACDQ-UHFFFAOYSA-N 2 2 341.474 3.402 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000153344681 454784403 /nfs/dbraw/zinc/78/44/03/454784403.db2.gz NJUQQMFIIHWZOR-UONOGXRCSA-N 2 2 346.393 3.204 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000125466320 454823567 /nfs/dbraw/zinc/82/35/67/454823567.db2.gz MHIMVBVBDATSDI-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000125466320 454823568 /nfs/dbraw/zinc/82/35/68/454823568.db2.gz MHIMVBVBDATSDI-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP C[NH+](C)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000125488567 454825868 /nfs/dbraw/zinc/82/58/68/454825868.db2.gz BWAAUNICUYTSJW-PMACEKPBSA-N 2 2 334.467 3.262 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796621 454837408 /nfs/dbraw/zinc/83/74/08/454837408.db2.gz IBJQISOBYGWNGI-INIZCTEOSA-N 2 2 326.444 3.164 20 0 EGADLP COc1ccc([C@@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1OC ZINC000110113578 454841790 /nfs/dbraw/zinc/84/17/90/454841790.db2.gz RKSUWYCKYHMWID-OAHLLOKOSA-N 2 2 344.459 3.332 20 0 EGADLP Cc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1C ZINC000125925820 454856576 /nfs/dbraw/zinc/85/65/76/454856576.db2.gz FSPQQVVCHWZIRW-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000163594031 454857811 /nfs/dbraw/zinc/85/78/11/454857811.db2.gz BZPYHGKWAYRFIK-HXUWFJFHSA-N 2 2 325.431 3.462 20 0 EGADLP c1cn(CCc2ccccc2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000164253768 454878285 /nfs/dbraw/zinc/87/82/85/454878285.db2.gz RCKUQBYSFJGYLW-UHFFFAOYSA-N 2 2 338.499 3.090 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246393098 455481900 /nfs/dbraw/zinc/48/19/00/455481900.db2.gz BFZHMBITYBUUHW-DYESRHJHSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246393098 455481906 /nfs/dbraw/zinc/48/19/06/455481906.db2.gz BFZHMBITYBUUHW-DYESRHJHSA-N 2 2 339.483 3.133 20 0 EGADLP Cn1c(CCC[NH2+]Cc2cccc(-n3cccn3)c2)[nH+]c2ccccc21 ZINC000150804371 454894865 /nfs/dbraw/zinc/89/48/65/454894865.db2.gz FDMPKAGAOYXMJM-UHFFFAOYSA-N 2 2 345.450 3.481 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)c1 ZINC000165960961 454906386 /nfs/dbraw/zinc/90/63/86/454906386.db2.gz DBQFIMIEZCKACS-UHFFFAOYSA-N 2 2 333.382 3.314 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114287 454939904 /nfs/dbraw/zinc/93/99/04/454939904.db2.gz KYMRWPKVBHWPDJ-LJQANCHMSA-N 3 2 347.522 3.154 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114287 454939908 /nfs/dbraw/zinc/93/99/08/454939908.db2.gz KYMRWPKVBHWPDJ-LJQANCHMSA-N 3 2 347.522 3.154 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178332849 454949681 /nfs/dbraw/zinc/94/96/81/454949681.db2.gz CUNBTAFJABJBHQ-WMZOPIPTSA-N 2 2 327.472 3.242 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178699002 454967948 /nfs/dbraw/zinc/96/79/48/454967948.db2.gz SZSUAMHBNUIQAF-XLIONFOSSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178699002 454967949 /nfs/dbraw/zinc/96/79/49/454967949.db2.gz SZSUAMHBNUIQAF-XLIONFOSSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770696 455028565 /nfs/dbraw/zinc/02/85/65/455028565.db2.gz WUFOZTVDDYRBMS-BEFAXECRSA-N 2 2 344.524 3.435 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770696 455028569 /nfs/dbraw/zinc/02/85/69/455028569.db2.gz WUFOZTVDDYRBMS-BEFAXECRSA-N 2 2 344.524 3.435 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCS2 ZINC000155703184 455033318 /nfs/dbraw/zinc/03/33/18/455033318.db2.gz DPHFDGJHQNSYHL-ZDUSSCGKSA-N 2 2 338.274 3.472 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C12CCCC2 ZINC000151836573 455037277 /nfs/dbraw/zinc/03/72/77/455037277.db2.gz AGKUMKWRPOFEQR-MSOLQXFVSA-N 2 2 329.488 3.378 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000179397218 455044788 /nfs/dbraw/zinc/04/47/88/455044788.db2.gz IOHGHPWLNQAUHA-GOSISDBHSA-N 2 2 330.472 3.074 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000179397218 455044791 /nfs/dbraw/zinc/04/47/91/455044791.db2.gz IOHGHPWLNQAUHA-GOSISDBHSA-N 2 2 330.472 3.074 20 0 EGADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396782 455055069 /nfs/dbraw/zinc/05/50/69/455055069.db2.gz ROKSKSFBWYDNII-KBXCAEBGSA-N 2 2 347.503 3.172 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000155954667 455065869 /nfs/dbraw/zinc/06/58/69/455065869.db2.gz UWDSWYKXTUDAHC-GOEBONIOSA-N 2 2 336.549 3.130 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000155954667 455065874 /nfs/dbraw/zinc/06/58/74/455065874.db2.gz UWDSWYKXTUDAHC-GOEBONIOSA-N 2 2 336.549 3.130 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095608 455081175 /nfs/dbraw/zinc/08/11/75/455081175.db2.gz KDSFDDPIQAZVCZ-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095608 455081179 /nfs/dbraw/zinc/08/11/79/455081179.db2.gz KDSFDDPIQAZVCZ-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095608 455081183 /nfs/dbraw/zinc/08/11/83/455081183.db2.gz KDSFDDPIQAZVCZ-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095608 455081187 /nfs/dbraw/zinc/08/11/87/455081187.db2.gz KDSFDDPIQAZVCZ-LRDDRELGSA-N 2 2 339.277 3.071 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)N(C)c1ccccc1 ZINC000156176934 455090286 /nfs/dbraw/zinc/09/02/86/455090286.db2.gz UZWHWKPDGIGLTA-SFHVURJKSA-N 2 2 338.499 3.161 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156417056 455115932 /nfs/dbraw/zinc/11/59/32/455115932.db2.gz ITCMSUIJOHNJMV-APWZRJJASA-N 2 2 329.444 3.244 20 0 EGADLP COc1ccc(OCCC[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156417056 455115937 /nfs/dbraw/zinc/11/59/37/455115937.db2.gz ITCMSUIJOHNJMV-APWZRJJASA-N 2 2 329.444 3.244 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)c1cccc(OC)c1 ZINC000119062585 455123742 /nfs/dbraw/zinc/12/37/42/455123742.db2.gz APPVXHPUPVHJTR-JXFKEZNVSA-N 2 2 334.504 3.483 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000156512143 455126957 /nfs/dbraw/zinc/12/69/57/455126957.db2.gz VXVMCYVYWOAYCM-RHSMWYFYSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000156512143 455126964 /nfs/dbraw/zinc/12/69/64/455126964.db2.gz VXVMCYVYWOAYCM-RHSMWYFYSA-N 2 2 346.862 3.367 20 0 EGADLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156525618 455128440 /nfs/dbraw/zinc/12/84/40/455128440.db2.gz MSEIZVSCYANEOV-YOEHRIQHSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156525618 455128445 /nfs/dbraw/zinc/12/84/45/455128445.db2.gz MSEIZVSCYANEOV-YOEHRIQHSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156538520 455130162 /nfs/dbraw/zinc/13/01/62/455130162.db2.gz WOPDLIKGFTXPTG-ZQIUZPCESA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156538520 455130166 /nfs/dbraw/zinc/13/01/66/455130166.db2.gz WOPDLIKGFTXPTG-ZQIUZPCESA-N 2 2 346.862 3.447 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N1CCCCC1 ZINC000119197753 455131694 /nfs/dbraw/zinc/13/16/94/455131694.db2.gz AWBSGPOGXZPPBY-HOJAQTOUSA-N 2 2 345.531 3.152 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCCC1 ZINC000119197753 455131699 /nfs/dbraw/zinc/13/16/99/455131699.db2.gz AWBSGPOGXZPPBY-HOJAQTOUSA-N 2 2 345.531 3.152 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000182839191 455175550 /nfs/dbraw/zinc/17/55/50/455175550.db2.gz DYMSNMHFWQACER-KSSFIOAISA-N 2 2 326.431 3.362 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000182839191 455175555 /nfs/dbraw/zinc/17/55/55/455175555.db2.gz DYMSNMHFWQACER-KSSFIOAISA-N 2 2 326.431 3.362 20 0 EGADLP CC(C)Cn1ncnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000182849179 455177465 /nfs/dbraw/zinc/17/74/65/455177465.db2.gz RBONPDCQBLKYJJ-SFHVURJKSA-N 2 2 347.551 3.411 20 0 EGADLP CC(C)Cn1ncnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000182849179 455177468 /nfs/dbraw/zinc/17/74/68/455177468.db2.gz RBONPDCQBLKYJJ-SFHVURJKSA-N 2 2 347.551 3.411 20 0 EGADLP Cc1ccsc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312503 455295970 /nfs/dbraw/zinc/29/59/70/455295970.db2.gz HXUYWXRLAWMMHJ-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccsc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312503 455295973 /nfs/dbraw/zinc/29/59/73/455295973.db2.gz HXUYWXRLAWMMHJ-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccsc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190312503 455295979 /nfs/dbraw/zinc/29/59/79/455295979.db2.gz HXUYWXRLAWMMHJ-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccsc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190312503 455295980 /nfs/dbraw/zinc/29/59/80/455295980.db2.gz HXUYWXRLAWMMHJ-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000245437069 455299362 /nfs/dbraw/zinc/29/93/62/455299362.db2.gz DQVWDSAESJXTFB-SJLPKXTDSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000245437069 455299364 /nfs/dbraw/zinc/29/93/64/455299364.db2.gz DQVWDSAESJXTFB-SJLPKXTDSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000245437069 455299365 /nfs/dbraw/zinc/29/93/65/455299365.db2.gz DQVWDSAESJXTFB-SJLPKXTDSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000245437069 455299366 /nfs/dbraw/zinc/29/93/66/455299366.db2.gz DQVWDSAESJXTFB-SJLPKXTDSA-N 2 2 347.503 3.219 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000265371865 455314690 /nfs/dbraw/zinc/31/46/90/455314690.db2.gz OQEZLSLVVGLDNM-UHFFFAOYSA-N 2 2 343.862 3.171 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158703949 455323848 /nfs/dbraw/zinc/32/38/48/455323848.db2.gz PHVXYTSQLMKZJG-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158703949 455323853 /nfs/dbraw/zinc/32/38/53/455323853.db2.gz PHVXYTSQLMKZJG-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158703949 455323856 /nfs/dbraw/zinc/32/38/56/455323856.db2.gz PHVXYTSQLMKZJG-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158703949 455323859 /nfs/dbraw/zinc/32/38/59/455323859.db2.gz PHVXYTSQLMKZJG-MGPQQGTHSA-N 2 2 332.473 3.275 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCC2 ZINC000181471693 455340283 /nfs/dbraw/zinc/34/02/83/455340283.db2.gz UZJWAJHLKBDAEK-RTBURBONSA-N 2 2 325.456 3.369 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006735 455345020 /nfs/dbraw/zinc/34/50/20/455345020.db2.gz XUPCONUKYLFKDI-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006735 455345023 /nfs/dbraw/zinc/34/50/23/455345023.db2.gz XUPCONUKYLFKDI-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006735 455345027 /nfs/dbraw/zinc/34/50/27/455345027.db2.gz XUPCONUKYLFKDI-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@@H]21 ZINC000159006735 455345030 /nfs/dbraw/zinc/34/50/30/455345030.db2.gz XUPCONUKYLFKDI-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc2c(c1)CCC2 ZINC000265650726 455355969 /nfs/dbraw/zinc/35/59/69/455355969.db2.gz ODNYDBUDLHYGLQ-HXUWFJFHSA-N 2 2 341.499 3.064 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc2c(c1)CCC2 ZINC000265650726 455355971 /nfs/dbraw/zinc/35/59/71/455355971.db2.gz ODNYDBUDLHYGLQ-HXUWFJFHSA-N 2 2 341.499 3.064 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190702138 455370208 /nfs/dbraw/zinc/37/02/08/455370208.db2.gz NXLYJYWCEFFVRY-UHFFFAOYSA-N 2 2 337.471 3.374 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000174209580 455370332 /nfs/dbraw/zinc/37/03/32/455370332.db2.gz NQDHSCOFULJAFH-HKUYNNGSSA-N 2 2 335.536 3.045 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000174209580 455370335 /nfs/dbraw/zinc/37/03/35/455370335.db2.gz NQDHSCOFULJAFH-HKUYNNGSSA-N 2 2 335.536 3.045 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000245987847 455410285 /nfs/dbraw/zinc/41/02/85/455410285.db2.gz HNCWMHTUCDEOHO-JKSUJKDBSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000245987847 455410291 /nfs/dbraw/zinc/41/02/91/455410291.db2.gz HNCWMHTUCDEOHO-JKSUJKDBSA-N 2 2 334.460 3.386 20 0 EGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246101109 455427028 /nfs/dbraw/zinc/42/70/28/455427028.db2.gz JGDYCAGXACKXEB-PXNSSMCTSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246101109 455427032 /nfs/dbraw/zinc/42/70/32/455427032.db2.gz JGDYCAGXACKXEB-PXNSSMCTSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246101109 455427036 /nfs/dbraw/zinc/42/70/36/455427036.db2.gz JGDYCAGXACKXEB-PXNSSMCTSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246101109 455427044 /nfs/dbraw/zinc/42/70/44/455427044.db2.gz JGDYCAGXACKXEB-PXNSSMCTSA-N 2 2 330.520 3.359 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000246345160 455474121 /nfs/dbraw/zinc/47/41/21/455474121.db2.gz HDRNGVAEJLZWJB-MJXNMMHHSA-N 2 2 338.442 3.383 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)C1 ZINC000246458048 455493393 /nfs/dbraw/zinc/49/33/93/455493393.db2.gz YQBQZTMZQZJZJK-BHIYHBOVSA-N 2 2 327.472 3.307 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)C1 ZINC000246458048 455493398 /nfs/dbraw/zinc/49/33/98/455493398.db2.gz YQBQZTMZQZJZJK-BHIYHBOVSA-N 2 2 327.472 3.307 20 0 EGADLP COC(=O)[C@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000191580066 455499514 /nfs/dbraw/zinc/49/95/14/455499514.db2.gz CHDVGGDDVVXJPT-OAQYLSRUSA-N 2 2 349.434 3.093 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@](C)(Cc3ccccc3)[C@@H](C)O)c[nH+]c12 ZINC000191715152 455512694 /nfs/dbraw/zinc/51/26/94/455512694.db2.gz VUYGLWAWHUKTRB-DYESRHJHSA-N 2 2 337.467 3.362 20 0 EGADLP CCCC[C@H](COC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191831460 455524042 /nfs/dbraw/zinc/52/40/42/455524042.db2.gz KYYGYUWMVZRXSM-WOJBJXKFSA-N 2 2 334.504 3.072 20 0 EGADLP CCCC[C@H](COC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191831460 455524047 /nfs/dbraw/zinc/52/40/47/455524047.db2.gz KYYGYUWMVZRXSM-WOJBJXKFSA-N 2 2 334.504 3.072 20 0 EGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000176030494 455530855 /nfs/dbraw/zinc/53/08/55/455530855.db2.gz NJYDXAFULFEIOI-KRWDZBQOSA-N 2 2 345.491 3.053 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000185384662 455552354 /nfs/dbraw/zinc/55/23/54/455552354.db2.gz CVWPGCCLUPCMQS-INIZCTEOSA-N 2 2 349.544 3.074 20 0 EGADLP CCc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000247078270 455556772 /nfs/dbraw/zinc/55/67/72/455556772.db2.gz QPNYYPDJTLUAHJ-QAPCUYQASA-N 2 2 344.528 3.143 20 0 EGADLP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000247078270 455556775 /nfs/dbraw/zinc/55/67/75/455556775.db2.gz QPNYYPDJTLUAHJ-QAPCUYQASA-N 2 2 344.528 3.143 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000247124480 455563384 /nfs/dbraw/zinc/56/33/84/455563384.db2.gz PYBMMICBIRLVPR-HKUYMTLNSA-N 2 2 328.500 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000247124480 455563388 /nfs/dbraw/zinc/56/33/88/455563388.db2.gz PYBMMICBIRLVPR-HKUYMTLNSA-N 2 2 328.500 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114453 455593552 /nfs/dbraw/zinc/59/35/52/455593552.db2.gz KACDEQLHMBDLRS-UZLBHIALSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114453 455593555 /nfs/dbraw/zinc/59/35/55/455593555.db2.gz KACDEQLHMBDLRS-UZLBHIALSA-N 2 2 337.467 3.233 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000277584913 455606742 /nfs/dbraw/zinc/60/67/42/455606742.db2.gz UHXSOTQJZRNXTM-CQSZACIVSA-N 2 2 334.414 3.271 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000277584913 455606747 /nfs/dbraw/zinc/60/67/47/455606747.db2.gz UHXSOTQJZRNXTM-CQSZACIVSA-N 2 2 334.414 3.271 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185747929 455613630 /nfs/dbraw/zinc/61/36/30/455613630.db2.gz WUJSJCVRGNTMGC-GJZGRUSLSA-N 2 2 334.460 3.117 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185747929 455613635 /nfs/dbraw/zinc/61/36/35/455613635.db2.gz WUJSJCVRGNTMGC-GJZGRUSLSA-N 2 2 334.460 3.117 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000192441040 455616833 /nfs/dbraw/zinc/61/68/33/455616833.db2.gz JCMGSXUURVQTBU-MHJFOBGBSA-N 2 2 344.499 3.453 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247550652 455623715 /nfs/dbraw/zinc/62/37/15/455623715.db2.gz PWZMPQCMIISRRO-QZTJIDSGSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247550652 455623719 /nfs/dbraw/zinc/62/37/19/455623719.db2.gz PWZMPQCMIISRRO-QZTJIDSGSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000247550652 455623724 /nfs/dbraw/zinc/62/37/24/455623724.db2.gz PWZMPQCMIISRRO-QZTJIDSGSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000247550652 455623730 /nfs/dbraw/zinc/62/37/30/455623730.db2.gz PWZMPQCMIISRRO-QZTJIDSGSA-N 2 2 331.504 3.234 20 0 EGADLP COCCn1c2ccccc2[nH+]c1NCc1c[nH+]c2ccc(C)cn12 ZINC000185848973 455634434 /nfs/dbraw/zinc/63/44/34/455634434.db2.gz RIKUCHPFLIZIFP-UHFFFAOYSA-N 2 2 335.411 3.251 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000268783765 455714607 /nfs/dbraw/zinc/71/46/07/455714607.db2.gz BTEZSDFUYFFGJD-SWLSCSKDSA-N 2 2 326.531 3.374 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(Cl)c1OC ZINC000292691993 455732575 /nfs/dbraw/zinc/73/25/75/455732575.db2.gz BPJOJUYBDKUTSS-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc(Cl)c1OC ZINC000292691993 455732581 /nfs/dbraw/zinc/73/25/81/455732581.db2.gz BPJOJUYBDKUTSS-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691993 455732583 /nfs/dbraw/zinc/73/25/83/455732583.db2.gz BPJOJUYBDKUTSS-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691993 455732586 /nfs/dbraw/zinc/73/25/86/455732586.db2.gz BPJOJUYBDKUTSS-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000186290106 455735537 /nfs/dbraw/zinc/73/55/37/455735537.db2.gz MYIICQGURRUBHR-QGZVFWFLSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799112 455760675 /nfs/dbraw/zinc/76/06/75/455760675.db2.gz BHQFPMNAHBOSOT-NVXWUHKLSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799112 455760678 /nfs/dbraw/zinc/76/06/78/455760678.db2.gz BHQFPMNAHBOSOT-NVXWUHKLSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269033084 455769207 /nfs/dbraw/zinc/76/92/07/455769207.db2.gz SAPYEYFVZNJKKQ-LZWOXQAQSA-N 2 2 330.394 3.064 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269033084 455769212 /nfs/dbraw/zinc/76/92/12/455769212.db2.gz SAPYEYFVZNJKKQ-LZWOXQAQSA-N 2 2 330.394 3.064 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002307 455770104 /nfs/dbraw/zinc/77/01/04/455770104.db2.gz SXLDWRWHVPBPKB-JOQOYGCGSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002307 455770106 /nfs/dbraw/zinc/77/01/06/455770106.db2.gz SXLDWRWHVPBPKB-JOQOYGCGSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)oc1C ZINC000293002307 455770107 /nfs/dbraw/zinc/77/01/07/455770107.db2.gz SXLDWRWHVPBPKB-JOQOYGCGSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)oc1C ZINC000293002307 455770109 /nfs/dbraw/zinc/77/01/09/455770109.db2.gz SXLDWRWHVPBPKB-JOQOYGCGSA-N 2 2 346.471 3.384 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249864212 455779347 /nfs/dbraw/zinc/77/93/47/455779347.db2.gz BAFDGRLJAVKOAG-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249864212 455779351 /nfs/dbraw/zinc/77/93/51/455779351.db2.gz BAFDGRLJAVKOAG-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249864212 455779356 /nfs/dbraw/zinc/77/93/56/455779356.db2.gz BAFDGRLJAVKOAG-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249864212 455779360 /nfs/dbraw/zinc/77/93/60/455779360.db2.gz BAFDGRLJAVKOAG-RTBURBONSA-N 2 2 337.552 3.221 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000269068383 455781626 /nfs/dbraw/zinc/78/16/26/455781626.db2.gz WGRAFYAZGPVUJA-KFKAGJAMSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccsc1 ZINC000269068383 455781629 /nfs/dbraw/zinc/78/16/29/455781629.db2.gz WGRAFYAZGPVUJA-KFKAGJAMSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000285258583 455814024 /nfs/dbraw/zinc/81/40/24/455814024.db2.gz IUXUMVSIPSNMRX-GOSISDBHSA-N 2 2 333.545 3.026 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000285258583 455814027 /nfs/dbraw/zinc/81/40/27/455814027.db2.gz IUXUMVSIPSNMRX-GOSISDBHSA-N 2 2 333.545 3.026 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)s1 ZINC000252551429 455822047 /nfs/dbraw/zinc/82/20/47/455822047.db2.gz PPVPCMYKHVARPJ-SDDRHHMPSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)s1 ZINC000252551429 455822050 /nfs/dbraw/zinc/82/20/50/455822050.db2.gz PPVPCMYKHVARPJ-SDDRHHMPSA-N 2 2 345.306 3.024 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000272048510 455831589 /nfs/dbraw/zinc/83/15/89/455831589.db2.gz ZBMRBDHQYDAOLX-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000272048510 455831592 /nfs/dbraw/zinc/83/15/92/455831592.db2.gz ZBMRBDHQYDAOLX-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000285399496 455837581 /nfs/dbraw/zinc/83/75/81/455837581.db2.gz IETPOYKAVOQTOO-UHFFFAOYSA-N 2 2 335.883 3.049 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000285399496 455837584 /nfs/dbraw/zinc/83/75/84/455837584.db2.gz IETPOYKAVOQTOO-UHFFFAOYSA-N 2 2 335.883 3.049 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000270093955 455875658 /nfs/dbraw/zinc/87/56/58/455875658.db2.gz AYKGMVWVBPYSAH-SFHVURJKSA-N 2 2 348.450 3.448 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000270093955 455875660 /nfs/dbraw/zinc/87/56/60/455875660.db2.gz AYKGMVWVBPYSAH-SFHVURJKSA-N 2 2 348.450 3.448 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000285660368 455891622 /nfs/dbraw/zinc/89/16/22/455891622.db2.gz ZAVVESKBJDWSLU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000285660368 455891623 /nfs/dbraw/zinc/89/16/23/455891623.db2.gz ZAVVESKBJDWSLU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000285660368 455891628 /nfs/dbraw/zinc/89/16/28/455891628.db2.gz ZAVVESKBJDWSLU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000285660368 455891632 /nfs/dbraw/zinc/89/16/32/455891632.db2.gz ZAVVESKBJDWSLU-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)ccc3Cl)C[C@H]12 ZINC000261579731 455909163 /nfs/dbraw/zinc/90/91/63/455909163.db2.gz PRTAEJFLDLOZPA-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3Cl)C[C@H]12 ZINC000261579731 455909168 /nfs/dbraw/zinc/90/91/68/455909168.db2.gz PRTAEJFLDLOZPA-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@@H](CCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195051738 455916064 /nfs/dbraw/zinc/91/60/64/455916064.db2.gz NKUYYLKMLATUBA-FXAWDEMLSA-N 2 2 349.482 3.394 20 0 EGADLP C[C@@H](CCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195051738 455916069 /nfs/dbraw/zinc/91/60/69/455916069.db2.gz NKUYYLKMLATUBA-FXAWDEMLSA-N 2 2 349.482 3.394 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663042 455923277 /nfs/dbraw/zinc/92/32/77/455923277.db2.gz IJUIUMJHYYZRJI-RXVVDRJESA-N 2 2 348.450 3.497 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663042 455923282 /nfs/dbraw/zinc/92/32/82/455923282.db2.gz IJUIUMJHYYZRJI-RXVVDRJESA-N 2 2 348.450 3.497 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000261667500 455923709 /nfs/dbraw/zinc/92/37/09/455923709.db2.gz LIJLHIPJESZTJS-FGTMMUONSA-N 3 2 326.488 3.245 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261673979 455926622 /nfs/dbraw/zinc/92/66/22/455926622.db2.gz GLMIEZGZNQKTIW-SJCJKPOMSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261673979 455926628 /nfs/dbraw/zinc/92/66/28/455926628.db2.gz GLMIEZGZNQKTIW-SJCJKPOMSA-N 2 2 334.851 3.046 20 0 EGADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000188011156 455979208 /nfs/dbraw/zinc/97/92/08/455979208.db2.gz QUFLNJZRIPWDEV-LPHOPBHVSA-N 2 2 334.504 3.147 20 0 EGADLP c1[nH+]c2c(n1C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000296583029 455980174 /nfs/dbraw/zinc/98/01/74/455980174.db2.gz DZEOGCPISLLUBY-SFHVURJKSA-N 2 2 325.456 3.053 20 0 EGADLP c1[nH+]c2c(n1C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000296583029 455980179 /nfs/dbraw/zinc/98/01/79/455980179.db2.gz DZEOGCPISLLUBY-SFHVURJKSA-N 2 2 325.456 3.053 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262057701 455991192 /nfs/dbraw/zinc/99/11/92/455991192.db2.gz QTDDXIAOKCJKSR-KDOFPFPSSA-N 2 2 342.487 3.093 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262057701 455991198 /nfs/dbraw/zinc/99/11/98/455991198.db2.gz QTDDXIAOKCJKSR-KDOFPFPSSA-N 2 2 342.487 3.093 20 0 EGADLP [NH3+]Cc1cc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)co1 ZINC000188107457 455999874 /nfs/dbraw/zinc/99/98/74/455999874.db2.gz WROAWPSUEBCTSV-UHFFFAOYSA-N 2 2 336.395 3.190 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCOCc2ccccc2)CC1 ZINC000272594236 456006596 /nfs/dbraw/zinc/00/65/96/456006596.db2.gz SMQNQNWNRROWFM-UHFFFAOYSA-N 2 2 330.394 3.210 20 0 EGADLP C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000301277641 456079138 /nfs/dbraw/zinc/07/91/38/456079138.db2.gz SJCCZXDTQSBKFQ-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000301277641 456079142 /nfs/dbraw/zinc/07/91/42/456079142.db2.gz SJCCZXDTQSBKFQ-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@H]1C[NH+](CCC2CCN(c3cc[nH+]c(C4CC4)n3)CC2)C[C@H](C)O1 ZINC000301595904 456155514 /nfs/dbraw/zinc/15/55/14/456155514.db2.gz ZCOGWCYQUCSRTO-HOTGVXAUSA-N 2 2 344.503 3.070 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228395 456171866 /nfs/dbraw/zinc/17/18/66/456171866.db2.gz VNOCVBQGMTWADO-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228395 456171874 /nfs/dbraw/zinc/17/18/74/456171874.db2.gz VNOCVBQGMTWADO-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228395 456171879 /nfs/dbraw/zinc/17/18/79/456171879.db2.gz VNOCVBQGMTWADO-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228395 456171883 /nfs/dbraw/zinc/17/18/83/456171883.db2.gz VNOCVBQGMTWADO-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP c1cc2cccc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)c2[nH]1 ZINC000236713891 456173293 /nfs/dbraw/zinc/17/32/93/456173293.db2.gz JXPYIYNOFWRORH-UHFFFAOYSA-N 2 2 348.494 3.470 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329119 456186296 /nfs/dbraw/zinc/18/62/96/456186296.db2.gz NUNJQKZXGBVIDL-NVXWUHKLSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329119 456186301 /nfs/dbraw/zinc/18/63/01/456186301.db2.gz NUNJQKZXGBVIDL-NVXWUHKLSA-N 2 2 342.430 3.176 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000263679013 456189274 /nfs/dbraw/zinc/18/92/74/456189274.db2.gz HXZXMKSRQAYCSR-KRWDZBQOSA-N 2 2 343.515 3.159 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000263679013 456189280 /nfs/dbraw/zinc/18/92/80/456189280.db2.gz HXZXMKSRQAYCSR-KRWDZBQOSA-N 2 2 343.515 3.159 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2Br)C1 ZINC000290054138 456228590 /nfs/dbraw/zinc/22/85/90/456228590.db2.gz OWLXCYSMPAJQFO-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2Br)C1 ZINC000290054138 456228594 /nfs/dbraw/zinc/22/85/94/456228594.db2.gz OWLXCYSMPAJQFO-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000290054138 456228596 /nfs/dbraw/zinc/22/85/96/456228596.db2.gz OWLXCYSMPAJQFO-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2Br)C1 ZINC000290054138 456228598 /nfs/dbraw/zinc/22/85/98/456228598.db2.gz OWLXCYSMPAJQFO-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CCOc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OC ZINC000237082307 456229310 /nfs/dbraw/zinc/22/93/10/456229310.db2.gz HHYBEWLLPSDFLT-UHFFFAOYSA-N 2 2 341.455 3.248 20 0 EGADLP C[NH2+]C[C@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000237095114 456232194 /nfs/dbraw/zinc/23/21/94/456232194.db2.gz WCGXVTWGGJNHIP-LBPRGKRZSA-N 2 2 340.402 3.087 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000620648646 460720158 /nfs/dbraw/zinc/72/01/58/460720158.db2.gz HNAVQVOYVMHKRX-GOSISDBHSA-N 2 2 334.423 3.246 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000620648646 460720162 /nfs/dbraw/zinc/72/01/62/460720162.db2.gz HNAVQVOYVMHKRX-GOSISDBHSA-N 2 2 334.423 3.246 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000290155146 456253904 /nfs/dbraw/zinc/25/39/04/456253904.db2.gz XAVPHBCDOVSGBL-INIZCTEOSA-N 2 2 339.361 3.055 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000290155146 456253907 /nfs/dbraw/zinc/25/39/07/456253907.db2.gz XAVPHBCDOVSGBL-INIZCTEOSA-N 2 2 339.361 3.055 20 0 EGADLP CN(C)c1ncc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000290290543 456281017 /nfs/dbraw/zinc/28/10/17/456281017.db2.gz AIDCZHUPGMYCGE-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP CN(C)c1ncc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000290290543 456281025 /nfs/dbraw/zinc/28/10/25/456281025.db2.gz AIDCZHUPGMYCGE-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCOc2ccccc2Cl)s1 ZINC000347678907 456300469 /nfs/dbraw/zinc/30/04/69/456300469.db2.gz SQJJXENPBWTMSC-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCOc2ccccc2Cl)s1 ZINC000347678907 456300472 /nfs/dbraw/zinc/30/04/72/456300472.db2.gz SQJJXENPBWTMSC-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000290364619 456307365 /nfs/dbraw/zinc/30/73/65/456307365.db2.gz HAXCYSHBRJZTRG-UHFFFAOYSA-N 2 2 346.504 3.079 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nc2sc(C)nn12 ZINC000290364619 456307367 /nfs/dbraw/zinc/30/73/67/456307367.db2.gz HAXCYSHBRJZTRG-UHFFFAOYSA-N 2 2 346.504 3.079 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923657 456317322 /nfs/dbraw/zinc/31/73/22/456317322.db2.gz ZCJCBJZDTBTCHG-HNNXBMFYSA-N 2 2 344.528 3.437 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923657 456317327 /nfs/dbraw/zinc/31/73/27/456317327.db2.gz ZCJCBJZDTBTCHG-HNNXBMFYSA-N 2 2 344.528 3.437 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923657 456317334 /nfs/dbraw/zinc/31/73/34/456317334.db2.gz ZCJCBJZDTBTCHG-HNNXBMFYSA-N 2 2 344.528 3.437 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000342923657 456317339 /nfs/dbraw/zinc/31/73/39/456317339.db2.gz ZCJCBJZDTBTCHG-HNNXBMFYSA-N 2 2 344.528 3.437 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000352801227 456320102 /nfs/dbraw/zinc/32/01/02/456320102.db2.gz SADZYZORGGFIDA-SFHVURJKSA-N 2 2 331.504 3.424 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000352801227 456320105 /nfs/dbraw/zinc/32/01/05/456320105.db2.gz SADZYZORGGFIDA-SFHVURJKSA-N 2 2 331.504 3.424 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000352804451 456323641 /nfs/dbraw/zinc/32/36/41/456323641.db2.gz QECYRUZVWKCMIO-QGZVFWFLSA-N 2 2 348.487 3.400 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000352804451 456323644 /nfs/dbraw/zinc/32/36/44/456323644.db2.gz QECYRUZVWKCMIO-QGZVFWFLSA-N 2 2 348.487 3.400 20 0 EGADLP CC(C)COc1cccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000342940127 456326822 /nfs/dbraw/zinc/32/68/22/456326822.db2.gz GAKRYPNWFTZDFJ-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC(C)COc1cccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000342940127 456326830 /nfs/dbraw/zinc/32/68/30/456326830.db2.gz GAKRYPNWFTZDFJ-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352813053 456329682 /nfs/dbraw/zinc/32/96/82/456329682.db2.gz IUHAFGICOZETRP-MRXNPFEDSA-N 2 2 338.377 3.075 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352813053 456329688 /nfs/dbraw/zinc/32/96/88/456329688.db2.gz IUHAFGICOZETRP-MRXNPFEDSA-N 2 2 338.377 3.075 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000347744136 456343699 /nfs/dbraw/zinc/34/36/99/456343699.db2.gz RJQQORZSXRWWCV-RXVVDRJESA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000347744136 456343709 /nfs/dbraw/zinc/34/37/09/456343709.db2.gz RJQQORZSXRWWCV-RXVVDRJESA-N 3 2 329.532 3.348 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000340275564 456356884 /nfs/dbraw/zinc/35/68/84/456356884.db2.gz FBSRTMFFSSULFI-QUCCMNQESA-N 2 2 330.520 3.023 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000340275564 456356885 /nfs/dbraw/zinc/35/68/85/456356885.db2.gz FBSRTMFFSSULFI-QUCCMNQESA-N 2 2 330.520 3.023 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000290538030 456358348 /nfs/dbraw/zinc/35/83/48/456358348.db2.gz RCOOXNZIBLLHSS-UHFFFAOYSA-N 2 2 337.851 3.466 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000290538030 456358349 /nfs/dbraw/zinc/35/83/49/456358349.db2.gz RCOOXNZIBLLHSS-UHFFFAOYSA-N 2 2 337.851 3.466 20 0 EGADLP COc1cc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000290620658 456385881 /nfs/dbraw/zinc/38/58/81/456385881.db2.gz XGLBXZHOOJWOJU-UHFFFAOYSA-N 2 2 344.455 3.393 20 0 EGADLP COc1cc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000290620658 456385886 /nfs/dbraw/zinc/38/58/86/456385886.db2.gz XGLBXZHOOJWOJU-UHFFFAOYSA-N 2 2 344.455 3.393 20 0 EGADLP CCC[NH+]1CCC(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000352896341 456397156 /nfs/dbraw/zinc/39/71/56/456397156.db2.gz BEVPSPPWIRQUIV-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP COCc1cc(N(C)CC2CC[NH+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000290694417 456406568 /nfs/dbraw/zinc/40/65/68/456406568.db2.gz UYTCLHPPGXUWMN-UHFFFAOYSA-N 2 2 331.435 3.298 20 0 EGADLP COc1ccc([C@@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000347855640 456408690 /nfs/dbraw/zinc/40/86/90/456408690.db2.gz BALIAHPOEYMVPX-OAHLLOKOSA-N 2 2 331.485 3.203 20 0 EGADLP COc1ccc([C@@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000347855640 456408694 /nfs/dbraw/zinc/40/86/94/456408694.db2.gz BALIAHPOEYMVPX-OAHLLOKOSA-N 2 2 331.485 3.203 20 0 EGADLP CCOC1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000298443185 456458330 /nfs/dbraw/zinc/45/83/30/456458330.db2.gz ZCLYQSQTKVHSJV-FQEVSTJZSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000298443185 456458338 /nfs/dbraw/zinc/45/83/38/456458338.db2.gz ZCLYQSQTKVHSJV-FQEVSTJZSA-N 2 2 346.515 3.169 20 0 EGADLP COCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000340443215 456464351 /nfs/dbraw/zinc/46/43/51/456464351.db2.gz DVYFKJMLXSRDPH-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000340443215 456464362 /nfs/dbraw/zinc/46/43/62/456464362.db2.gz DVYFKJMLXSRDPH-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000298549928 456488070 /nfs/dbraw/zinc/48/80/70/456488070.db2.gz UNGRUEXEXZYBIZ-FQEVSTJZSA-N 2 2 343.515 3.049 20 0 EGADLP CC(C)C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000353108036 456493925 /nfs/dbraw/zinc/49/39/25/456493925.db2.gz GOAMIJHNEZKKQH-DXTJYYCRSA-N 2 2 349.563 3.122 20 0 EGADLP CC(C)C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000353108036 456493932 /nfs/dbraw/zinc/49/39/32/456493932.db2.gz GOAMIJHNEZKKQH-DXTJYYCRSA-N 2 2 349.563 3.122 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc(C2CC2)[nH+]1 ZINC000348123742 456499061 /nfs/dbraw/zinc/49/90/61/456499061.db2.gz KMCTWNUTLNOPMJ-UHFFFAOYSA-N 2 2 326.419 3.124 20 0 EGADLP OC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000291025682 456500474 /nfs/dbraw/zinc/50/04/74/456500474.db2.gz ATENZKSVHAKONB-OAQYLSRUSA-N 2 2 333.435 3.008 20 0 EGADLP OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000291025682 456500479 /nfs/dbraw/zinc/50/04/79/456500479.db2.gz ATENZKSVHAKONB-OAQYLSRUSA-N 2 2 333.435 3.008 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510798 456501427 /nfs/dbraw/zinc/50/14/27/456501427.db2.gz OPQOVCJHVKDIRX-FGZHOGPDSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510798 456501430 /nfs/dbraw/zinc/50/14/30/456501430.db2.gz OPQOVCJHVKDIRX-FGZHOGPDSA-N 2 2 338.495 3.455 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000282442852 456516593 /nfs/dbraw/zinc/51/65/93/456516593.db2.gz IELHYHBFWGZXMB-KEYYUXOJSA-N 2 2 330.501 3.408 20 0 EGADLP C[N@H+](Cc1ccc(Oc2ccccc2)nn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353149598 456522139 /nfs/dbraw/zinc/52/21/39/456522139.db2.gz AFOMIXMNLFZLDF-JWTNVVGKSA-N 2 2 338.455 3.326 20 0 EGADLP C[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353149598 456522144 /nfs/dbraw/zinc/52/21/44/456522144.db2.gz AFOMIXMNLFZLDF-JWTNVVGKSA-N 2 2 338.455 3.326 20 0 EGADLP C[NH+](Cc1ccc(Oc2ccccc2)nn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353149598 456522151 /nfs/dbraw/zinc/52/21/51/456522151.db2.gz AFOMIXMNLFZLDF-JWTNVVGKSA-N 2 2 338.455 3.326 20 0 EGADLP C[NH+](Cc1ccc(Oc2ccccc2)nn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353149598 456522153 /nfs/dbraw/zinc/52/21/53/456522153.db2.gz AFOMIXMNLFZLDF-JWTNVVGKSA-N 2 2 338.455 3.326 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000305219643 456539452 /nfs/dbraw/zinc/53/94/52/456539452.db2.gz SSCOKUILDLEHEZ-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000305219643 456539460 /nfs/dbraw/zinc/53/94/60/456539460.db2.gz SSCOKUILDLEHEZ-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261597 456579269 /nfs/dbraw/zinc/57/92/69/456579269.db2.gz HAHNNOBXJDHNRN-PMACEKPBSA-N 2 2 337.467 3.440 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261597 456579275 /nfs/dbraw/zinc/57/92/75/456579275.db2.gz HAHNNOBXJDHNRN-PMACEKPBSA-N 2 2 337.467 3.440 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000310703825 456583362 /nfs/dbraw/zinc/58/33/62/456583362.db2.gz RPVBSVRRELADMF-OXQOHEQNSA-N 2 2 338.451 3.226 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000310703825 456583365 /nfs/dbraw/zinc/58/33/65/456583365.db2.gz RPVBSVRRELADMF-OXQOHEQNSA-N 2 2 338.451 3.226 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277416 456591129 /nfs/dbraw/zinc/59/11/29/456591129.db2.gz LYOUNLSMDQQXEO-RDJZCZTQSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277416 456591134 /nfs/dbraw/zinc/59/11/34/456591134.db2.gz LYOUNLSMDQQXEO-RDJZCZTQSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000348277416 456591141 /nfs/dbraw/zinc/59/11/41/456591141.db2.gz LYOUNLSMDQQXEO-RDJZCZTQSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000348277416 456591147 /nfs/dbraw/zinc/59/11/47/456591147.db2.gz LYOUNLSMDQQXEO-RDJZCZTQSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)sc1C ZINC000348330454 456628030 /nfs/dbraw/zinc/62/80/30/456628030.db2.gz NPIOHCDVIXKOMA-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000276952274 456630055 /nfs/dbraw/zinc/63/00/55/456630055.db2.gz BVSODIBOXAEOLL-SFHVURJKSA-N 2 2 348.450 3.333 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000276952274 456630061 /nfs/dbraw/zinc/63/00/61/456630061.db2.gz BVSODIBOXAEOLL-SFHVURJKSA-N 2 2 348.450 3.333 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335494 456632246 /nfs/dbraw/zinc/63/22/46/456632246.db2.gz QTOLJNRDJICYBK-BLIXFSHQSA-N 2 2 345.531 3.291 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335494 456632249 /nfs/dbraw/zinc/63/22/49/456632249.db2.gz QTOLJNRDJICYBK-BLIXFSHQSA-N 2 2 345.531 3.291 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000276968409 456635529 /nfs/dbraw/zinc/63/55/29/456635529.db2.gz XKYGJKRNHDTANF-UHFFFAOYSA-N 3 2 329.532 3.363 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000276999879 456647050 /nfs/dbraw/zinc/64/70/50/456647050.db2.gz HTCOYPAGACAPFE-OAHLLOKOSA-N 2 2 341.455 3.332 20 0 EGADLP C[C@@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)[N@H+](C)C1CC1 ZINC000338171206 456681350 /nfs/dbraw/zinc/68/13/50/456681350.db2.gz CKSHJGLEJAJDCX-AWEZNQCLSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)[N@@H+](C)C1CC1 ZINC000338171206 456681356 /nfs/dbraw/zinc/68/13/56/456681356.db2.gz CKSHJGLEJAJDCX-AWEZNQCLSA-N 2 2 325.412 3.086 20 0 EGADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338172446 456682221 /nfs/dbraw/zinc/68/22/21/456682221.db2.gz CKTHASGPQCOPLH-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338172446 456682231 /nfs/dbraw/zinc/68/22/31/456682231.db2.gz CKTHASGPQCOPLH-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338174708 456685663 /nfs/dbraw/zinc/68/56/63/456685663.db2.gz ISNXISJKIBHJFI-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338174708 456685665 /nfs/dbraw/zinc/68/56/65/456685665.db2.gz ISNXISJKIBHJFI-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc(Cl)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000338199088 456700201 /nfs/dbraw/zinc/70/02/01/456700201.db2.gz VCWUNTPADWBWDD-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc(Cl)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000338199088 456700205 /nfs/dbraw/zinc/70/02/05/456700205.db2.gz VCWUNTPADWBWDD-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338228919 456719074 /nfs/dbraw/zinc/71/90/74/456719074.db2.gz ZPEBKXHSJJJWEK-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338228919 456719077 /nfs/dbraw/zinc/71/90/77/456719077.db2.gz ZPEBKXHSJJJWEK-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000353521922 456733803 /nfs/dbraw/zinc/73/38/03/456733803.db2.gz QYACWDBQNOMMPI-XSVZSIDJSA-N 2 2 325.456 3.459 20 0 EGADLP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000353521922 456733809 /nfs/dbraw/zinc/73/38/09/456733809.db2.gz QYACWDBQNOMMPI-XSVZSIDJSA-N 2 2 325.456 3.459 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902032 456749562 /nfs/dbraw/zinc/74/95/62/456749562.db2.gz SSCCUIVRDZPBIX-GOEBONIOSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902032 456749566 /nfs/dbraw/zinc/74/95/66/456749566.db2.gz SSCCUIVRDZPBIX-GOEBONIOSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000340902032 456749573 /nfs/dbraw/zinc/74/95/73/456749573.db2.gz SSCCUIVRDZPBIX-GOEBONIOSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000340902032 456749577 /nfs/dbraw/zinc/74/95/77/456749577.db2.gz SSCCUIVRDZPBIX-GOEBONIOSA-N 2 2 334.460 3.099 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000353548678 456751394 /nfs/dbraw/zinc/75/13/94/456751394.db2.gz MWIOERLXXOIQBA-ICSRJNTNSA-N 2 2 345.531 3.479 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000353548678 456751399 /nfs/dbraw/zinc/75/13/99/456751399.db2.gz MWIOERLXXOIQBA-ICSRJNTNSA-N 2 2 345.531 3.479 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579904 456778384 /nfs/dbraw/zinc/77/83/84/456778384.db2.gz XWUBCXDKLPGYPW-ZWKOTPCHSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579904 456778391 /nfs/dbraw/zinc/77/83/91/456778391.db2.gz XWUBCXDKLPGYPW-ZWKOTPCHSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353579904 456778400 /nfs/dbraw/zinc/77/84/00/456778400.db2.gz XWUBCXDKLPGYPW-ZWKOTPCHSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353579904 456778407 /nfs/dbraw/zinc/77/84/07/456778407.db2.gz XWUBCXDKLPGYPW-ZWKOTPCHSA-N 2 2 349.519 3.213 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344449558 456828230 /nfs/dbraw/zinc/82/82/30/456828230.db2.gz PJTZYLLPZBWJIE-MISYRCLQSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344449558 456828235 /nfs/dbraw/zinc/82/82/35/456828235.db2.gz PJTZYLLPZBWJIE-MISYRCLQSA-N 2 2 341.499 3.383 20 0 EGADLP O[C@]1(C[NH2+]C/C=C/c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344526233 456835230 /nfs/dbraw/zinc/83/52/30/456835230.db2.gz JHXLREALQSLZMK-XBGMYJNYSA-N 2 2 340.442 3.066 20 0 EGADLP O[C@]1(C[NH2+]C/C=C/c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344526233 456835235 /nfs/dbraw/zinc/83/52/35/456835235.db2.gz JHXLREALQSLZMK-XBGMYJNYSA-N 2 2 340.442 3.066 20 0 EGADLP c1nnc([C@H]([NH2+]CCCCNc2cccc[nH+]2)C2CCCCC2)[nH]1 ZINC000292043136 456838711 /nfs/dbraw/zinc/83/87/11/456838711.db2.gz FJBKHKIBRKQNHM-QGZVFWFLSA-N 2 2 328.464 3.303 20 0 EGADLP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000283780907 456838706 /nfs/dbraw/zinc/83/87/06/456838706.db2.gz RDYKFJKEHRUPSU-UXHICEINSA-N 2 2 345.450 3.426 20 0 EGADLP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000283780907 456838710 /nfs/dbraw/zinc/83/87/10/456838710.db2.gz RDYKFJKEHRUPSU-UXHICEINSA-N 2 2 345.450 3.426 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000338723522 456854140 /nfs/dbraw/zinc/85/41/40/456854140.db2.gz XTBNIJMPKYGIPS-MRXNPFEDSA-N 2 2 348.516 3.084 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[N@H+]1C1CC1 ZINC000338723522 456854142 /nfs/dbraw/zinc/85/41/42/456854142.db2.gz XTBNIJMPKYGIPS-MRXNPFEDSA-N 2 2 348.516 3.084 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(F)c1Cl ZINC000339044181 456914060 /nfs/dbraw/zinc/91/40/60/456914060.db2.gz LFBMJRGIGDPVLE-BMFZPTHFSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(F)c1Cl ZINC000339044181 456914065 /nfs/dbraw/zinc/91/40/65/456914065.db2.gz LFBMJRGIGDPVLE-BMFZPTHFSA-N 2 2 326.843 3.163 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000339053156 456917870 /nfs/dbraw/zinc/91/78/70/456917870.db2.gz VCJCYFPPYIECEM-UZLBHIALSA-N 2 2 337.467 3.369 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000339053156 456917873 /nfs/dbraw/zinc/91/78/73/456917873.db2.gz VCJCYFPPYIECEM-UZLBHIALSA-N 2 2 337.467 3.369 20 0 EGADLP C[C@@H]1CN(Cc2cccc(Cl)c2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349333407 456945671 /nfs/dbraw/zinc/94/56/71/456945671.db2.gz QFOBJFITLKAMSF-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2cccc(Cl)c2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349333407 456945672 /nfs/dbraw/zinc/94/56/72/456945672.db2.gz QFOBJFITLKAMSF-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP Clc1cccc(C[N@H+](CC[C@H]2CCOC2)CCn2cc[nH+]c2)c1 ZINC000349382497 456958634 /nfs/dbraw/zinc/95/86/34/456958634.db2.gz JIOCKJBMFJWOAW-INIZCTEOSA-N 2 2 333.863 3.465 20 0 EGADLP Clc1cccc(C[N@@H+](CC[C@H]2CCOC2)CCn2cc[nH+]c2)c1 ZINC000349382497 456958636 /nfs/dbraw/zinc/95/86/36/456958636.db2.gz JIOCKJBMFJWOAW-INIZCTEOSA-N 2 2 333.863 3.465 20 0 EGADLP CCN(CCC[NH+]1CCCC1)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000349381605 456958838 /nfs/dbraw/zinc/95/88/38/456958838.db2.gz HLLZKOSSPQNSLD-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(C)n1-c1ccccc1 ZINC000349381605 456958841 /nfs/dbraw/zinc/95/88/41/456958841.db2.gz HLLZKOSSPQNSLD-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(C)n1-c1ccccc1 ZINC000349381605 456958845 /nfs/dbraw/zinc/95/88/45/456958845.db2.gz HLLZKOSSPQNSLD-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP C[N@@H+](Cc1cccs1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341831362 456963213 /nfs/dbraw/zinc/96/32/13/456963213.db2.gz IYQPJGSFNOZQEZ-SFHVURJKSA-N 2 2 330.497 3.471 20 0 EGADLP C[N@H+](Cc1cccs1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341831362 456963216 /nfs/dbraw/zinc/96/32/16/456963216.db2.gz IYQPJGSFNOZQEZ-SFHVURJKSA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1cccs1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341831362 456963217 /nfs/dbraw/zinc/96/32/17/456963217.db2.gz IYQPJGSFNOZQEZ-SFHVURJKSA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1cccs1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341831362 456963220 /nfs/dbraw/zinc/96/32/20/456963220.db2.gz IYQPJGSFNOZQEZ-SFHVURJKSA-N 2 2 330.497 3.471 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCc1ccc(C)[nH+]c1)O[C@@H](C)C2 ZINC000353918879 456965362 /nfs/dbraw/zinc/96/53/62/456965362.db2.gz UXTUFRAWMSLHBU-HNNXBMFYSA-N 2 2 326.440 3.444 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000353940911 456973301 /nfs/dbraw/zinc/97/33/01/456973301.db2.gz DBPRYXRUSHIVSR-UHFFFAOYSA-N 2 2 342.439 3.211 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000345305475 456973801 /nfs/dbraw/zinc/97/38/01/456973801.db2.gz QEEDZVDDDAFRQO-GOSKSRJBSA-N 2 2 344.503 3.029 20 0 EGADLP CSCc1cnc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000339183756 456981983 /nfs/dbraw/zinc/98/19/83/456981983.db2.gz OUZLJJHDDBEYSC-KBPBESRZSA-N 2 2 327.563 3.464 20 0 EGADLP CCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC000349640245 457002831 /nfs/dbraw/zinc/00/28/31/457002831.db2.gz CQLGGFZHQHHFOE-UHFFFAOYSA-N 2 2 328.460 3.386 20 0 EGADLP Cn1ncc(Cl)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356524190 457035215 /nfs/dbraw/zinc/03/52/15/457035215.db2.gz KKOMYFOPUHZEBU-IAGOWNOFSA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356524190 457035221 /nfs/dbraw/zinc/03/52/21/457035221.db2.gz KKOMYFOPUHZEBU-IAGOWNOFSA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356524190 457035226 /nfs/dbraw/zinc/03/52/26/457035226.db2.gz KKOMYFOPUHZEBU-IAGOWNOFSA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356524190 457035230 /nfs/dbraw/zinc/03/52/30/457035230.db2.gz KKOMYFOPUHZEBU-IAGOWNOFSA-N 2 2 344.890 3.027 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000354147398 457095073 /nfs/dbraw/zinc/09/50/73/457095073.db2.gz SYAUGXAUIRMHHD-AWEZNQCLSA-N 2 2 345.443 3.055 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000346695612 457115847 /nfs/dbraw/zinc/11/58/47/457115847.db2.gz DUEZVYJCCDLRCA-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000346695612 457115850 /nfs/dbraw/zinc/11/58/50/457115850.db2.gz DUEZVYJCCDLRCA-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342116345 457116550 /nfs/dbraw/zinc/11/65/50/457116550.db2.gz FFMYWHRJXSYVMY-UHFFFAOYSA-N 2 2 339.439 3.197 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439278 457119655 /nfs/dbraw/zinc/11/96/55/457119655.db2.gz SXTCBIBZEMBGPS-DYVFJYSZSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339439278 457119658 /nfs/dbraw/zinc/11/96/58/457119658.db2.gz SXTCBIBZEMBGPS-DYVFJYSZSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339439278 457119661 /nfs/dbraw/zinc/11/96/61/457119661.db2.gz SXTCBIBZEMBGPS-DYVFJYSZSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339439278 457119663 /nfs/dbraw/zinc/11/96/63/457119663.db2.gz SXTCBIBZEMBGPS-DYVFJYSZSA-N 2 2 332.473 3.277 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@@H]1C ZINC000354204710 457128998 /nfs/dbraw/zinc/12/89/98/457128998.db2.gz GJNFAXQOUPPBBR-AOIWGVFYSA-N 2 2 343.515 3.159 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@@H]1C ZINC000354204710 457129005 /nfs/dbraw/zinc/12/90/05/457129005.db2.gz GJNFAXQOUPPBBR-AOIWGVFYSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@@H]1C ZINC000354204710 457129009 /nfs/dbraw/zinc/12/90/09/457129009.db2.gz GJNFAXQOUPPBBR-AOIWGVFYSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@@H]1C ZINC000354204710 457129015 /nfs/dbraw/zinc/12/90/15/457129015.db2.gz GJNFAXQOUPPBBR-AOIWGVFYSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932124 457155259 /nfs/dbraw/zinc/15/52/59/457155259.db2.gz DWFPCBKBCXYAPT-SNRMKQJTSA-N 2 2 327.472 3.091 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932124 457155264 /nfs/dbraw/zinc/15/52/64/457155264.db2.gz DWFPCBKBCXYAPT-SNRMKQJTSA-N 2 2 327.472 3.091 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000359982091 457185224 /nfs/dbraw/zinc/18/52/24/457185224.db2.gz BVLMSCKIWDDMOD-UHFFFAOYSA-N 2 2 330.407 3.070 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000342303941 457225190 /nfs/dbraw/zinc/22/51/90/457225190.db2.gz FMTRRBBUGMNSBJ-QFBILLFUSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000342303941 457225197 /nfs/dbraw/zinc/22/51/97/457225197.db2.gz FMTRRBBUGMNSBJ-QFBILLFUSA-N 2 2 334.467 3.326 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354515501 457266330 /nfs/dbraw/zinc/26/63/30/457266330.db2.gz SUEMKAKJAKBCIB-LEAZDLGRSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354515501 457266335 /nfs/dbraw/zinc/26/63/35/457266335.db2.gz SUEMKAKJAKBCIB-LEAZDLGRSA-N 2 2 344.499 3.218 20 0 EGADLP Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000360142953 457273085 /nfs/dbraw/zinc/27/30/85/457273085.db2.gz YQXNUIASJOMDPF-QGZVFWFLSA-N 2 2 348.450 3.261 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)cc2n1C ZINC000354540735 457278358 /nfs/dbraw/zinc/27/83/58/457278358.db2.gz AOTNGQWSSMAZGZ-IBGZPJMESA-N 2 2 342.487 3.122 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000339824400 457294205 /nfs/dbraw/zinc/29/42/05/457294205.db2.gz GDLLZUCEFGKATL-UHFFFAOYSA-N 2 2 345.874 3.370 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000342440932 457305353 /nfs/dbraw/zinc/30/53/53/457305353.db2.gz LCYIOCYFVFMCCX-SFHVURJKSA-N 2 2 349.482 3.186 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000342440932 457305358 /nfs/dbraw/zinc/30/53/58/457305358.db2.gz LCYIOCYFVFMCCX-SFHVURJKSA-N 2 2 349.482 3.186 20 0 EGADLP C[C@@H](c1c(F)cccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355032260 457338861 /nfs/dbraw/zinc/33/88/61/457338861.db2.gz OZLSDQQBJZDTOC-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1c(F)cccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355032260 457338864 /nfs/dbraw/zinc/33/88/64/457338864.db2.gz OZLSDQQBJZDTOC-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000355361293 457364188 /nfs/dbraw/zinc/36/41/88/457364188.db2.gz FGIBARWJFSGLOX-CYBMUJFWSA-N 2 2 333.382 3.252 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000352488211 457408897 /nfs/dbraw/zinc/40/88/97/457408897.db2.gz NLTXZUDKEZRZRP-NUJGCVRESA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000352488211 457408905 /nfs/dbraw/zinc/40/89/05/457408905.db2.gz NLTXZUDKEZRZRP-NUJGCVRESA-N 2 2 332.488 3.359 20 0 EGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1COc2ccccc2O1 ZINC000342676512 457448138 /nfs/dbraw/zinc/44/81/38/457448138.db2.gz KTFUIQRPPAGLBE-QGZVFWFLSA-N 2 2 337.423 3.386 20 0 EGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1COc2ccccc2O1 ZINC000342676512 457448148 /nfs/dbraw/zinc/44/81/48/457448148.db2.gz KTFUIQRPPAGLBE-QGZVFWFLSA-N 2 2 337.423 3.386 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC4(CCC4)[C@@H]3C3CC3)c2cc1C ZINC000357450985 457536382 /nfs/dbraw/zinc/53/63/82/457536382.db2.gz IZNYAIOQZZQROS-XLIONFOSSA-N 2 2 339.483 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC4(CCC4)[C@@H]3C3CC3)c2cc1C ZINC000357450985 457536392 /nfs/dbraw/zinc/53/63/92/457536392.db2.gz IZNYAIOQZZQROS-XLIONFOSSA-N 2 2 339.483 3.279 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000342806552 457539006 /nfs/dbraw/zinc/53/90/06/457539006.db2.gz KCAJSYJJAYXFAL-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000342806552 457539011 /nfs/dbraw/zinc/53/90/11/457539011.db2.gz KCAJSYJJAYXFAL-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404278230 457540818 /nfs/dbraw/zinc/54/08/18/457540818.db2.gz OCYWSYLRVFFOSB-CZUORRHYSA-N 2 2 337.895 3.345 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404278230 457540820 /nfs/dbraw/zinc/54/08/20/457540820.db2.gz OCYWSYLRVFFOSB-CZUORRHYSA-N 2 2 337.895 3.345 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425428825 457551912 /nfs/dbraw/zinc/55/19/12/457551912.db2.gz YCNREUKNSFXIIS-CYBMUJFWSA-N 2 2 342.434 3.484 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425428825 457551918 /nfs/dbraw/zinc/55/19/18/457551918.db2.gz YCNREUKNSFXIIS-CYBMUJFWSA-N 2 2 342.434 3.484 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061820 457555772 /nfs/dbraw/zinc/55/57/72/457555772.db2.gz IXNQBAOIKPYPQI-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352738397 457570970 /nfs/dbraw/zinc/57/09/70/457570970.db2.gz MNDXMBFGUHVHED-SCLBCKFNSA-N 2 2 349.500 3.079 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370262544 457603225 /nfs/dbraw/zinc/60/32/25/457603225.db2.gz RCXLLXWADDTGRQ-UHFFFAOYSA-N 2 2 343.381 3.178 20 0 EGADLP CCCCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330385 457620974 /nfs/dbraw/zinc/62/09/74/457620974.db2.gz SDEJWDKNQXPUFD-MJGOQNOKSA-N 2 2 337.552 3.124 20 0 EGADLP CCCCC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330385 457620978 /nfs/dbraw/zinc/62/09/78/457620978.db2.gz SDEJWDKNQXPUFD-MJGOQNOKSA-N 2 2 337.552 3.124 20 0 EGADLP CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000361218530 457650391 /nfs/dbraw/zinc/65/03/91/457650391.db2.gz ZQEMKVQYXDMFSV-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP CCn1cc([C@H](C)[NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000361277281 457676766 /nfs/dbraw/zinc/67/67/66/457676766.db2.gz YCKNUUKHLSSLAU-KRWDZBQOSA-N 2 2 348.535 3.367 20 0 EGADLP CCn1cc([C@H](C)[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000361277281 457676768 /nfs/dbraw/zinc/67/67/68/457676768.db2.gz YCKNUUKHLSSLAU-KRWDZBQOSA-N 2 2 348.535 3.367 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000370616277 457683090 /nfs/dbraw/zinc/68/30/90/457683090.db2.gz QSVULBWLWULGNT-SFHVURJKSA-N 2 2 348.535 3.103 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000361344235 457700644 /nfs/dbraw/zinc/70/06/44/457700644.db2.gz RLKMKGSUCBJSKH-HZPDHXFCSA-N 2 2 336.549 3.273 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000361344235 457700646 /nfs/dbraw/zinc/70/06/46/457700646.db2.gz RLKMKGSUCBJSKH-HZPDHXFCSA-N 2 2 336.549 3.273 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000357838043 457706989 /nfs/dbraw/zinc/70/69/89/457706989.db2.gz VKOWDWSOQNMOEI-DLBZAZTESA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000357838043 457706993 /nfs/dbraw/zinc/70/69/93/457706993.db2.gz VKOWDWSOQNMOEI-DLBZAZTESA-N 2 2 340.471 3.031 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358016994 457740420 /nfs/dbraw/zinc/74/04/20/457740420.db2.gz NMHJDUIEXLJQTM-IIBYNOLFSA-N 2 2 338.499 3.186 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358016994 457740422 /nfs/dbraw/zinc/74/04/22/457740422.db2.gz NMHJDUIEXLJQTM-IIBYNOLFSA-N 2 2 338.499 3.186 20 0 EGADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443509429 457771661 /nfs/dbraw/zinc/77/16/61/457771661.db2.gz LARVYBBJHZDTHD-SNVBAGLBSA-N 2 2 338.224 3.277 20 0 EGADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443509429 457771668 /nfs/dbraw/zinc/77/16/68/457771668.db2.gz LARVYBBJHZDTHD-SNVBAGLBSA-N 2 2 338.224 3.277 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000375121757 457800687 /nfs/dbraw/zinc/80/06/87/457800687.db2.gz VJGIQETUGAMSHJ-MBPVOVBZSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000375121757 457800695 /nfs/dbraw/zinc/80/06/95/457800695.db2.gz VJGIQETUGAMSHJ-MBPVOVBZSA-N 2 2 328.500 3.444 20 0 EGADLP CCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000426329684 457805486 /nfs/dbraw/zinc/80/54/86/457805486.db2.gz HINNWWXHRLQQIV-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOCC1 ZINC000426329684 457805493 /nfs/dbraw/zinc/80/54/93/457805493.db2.gz HINNWWXHRLQQIV-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000426348316 457808534 /nfs/dbraw/zinc/80/85/34/457808534.db2.gz QHTKMXPRXLRHCG-YJBOKZPZSA-N 2 2 342.487 3.331 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000426348316 457808541 /nfs/dbraw/zinc/80/85/41/457808541.db2.gz QHTKMXPRXLRHCG-YJBOKZPZSA-N 2 2 342.487 3.331 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144477 457812273 /nfs/dbraw/zinc/81/22/73/457812273.db2.gz WYLBPOVEZFZPNF-QAPCUYQASA-N 2 2 325.456 3.076 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144477 457812281 /nfs/dbraw/zinc/81/22/81/457812281.db2.gz WYLBPOVEZFZPNF-QAPCUYQASA-N 2 2 325.456 3.076 20 0 EGADLP Cc1[nH+]ccn1CCCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000371248628 457838858 /nfs/dbraw/zinc/83/88/58/457838858.db2.gz DIDDDSZNYZLYFM-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP Cc1[nH+]ccn1CCCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000371248628 457838862 /nfs/dbraw/zinc/83/88/62/457838862.db2.gz DIDDDSZNYZLYFM-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000371248628 457838866 /nfs/dbraw/zinc/83/88/66/457838866.db2.gz DIDDDSZNYZLYFM-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000371248628 457838870 /nfs/dbraw/zinc/83/88/70/457838870.db2.gz DIDDDSZNYZLYFM-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)c3cccc(O)c3)sc2C1 ZINC000444036350 457844691 /nfs/dbraw/zinc/84/46/91/457844691.db2.gz SVUMIMVAAMMUDZ-ZDUSSCGKSA-N 2 2 331.485 3.466 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)c3cccc(O)c3)sc2C1 ZINC000444036350 457844699 /nfs/dbraw/zinc/84/46/99/457844699.db2.gz SVUMIMVAAMMUDZ-ZDUSSCGKSA-N 2 2 331.485 3.466 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000358246774 457884005 /nfs/dbraw/zinc/88/40/05/457884005.db2.gz LAKUMXHQLNJZDX-OJLVUWQFSA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000358246774 457884006 /nfs/dbraw/zinc/88/40/06/457884006.db2.gz LAKUMXHQLNJZDX-OJLVUWQFSA-N 2 2 330.394 3.113 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254454 457891789 /nfs/dbraw/zinc/89/17/89/457891789.db2.gz PQLNSKFCPWVFNU-RXVVDRJESA-N 2 2 346.515 3.162 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358254454 457891795 /nfs/dbraw/zinc/89/17/95/457891795.db2.gz PQLNSKFCPWVFNU-RXVVDRJESA-N 2 2 346.515 3.162 20 0 EGADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccccc1 ZINC000411506011 457905673 /nfs/dbraw/zinc/90/56/73/457905673.db2.gz PASHCSPBPMMEHV-UHFFFAOYSA-N 2 2 340.471 3.404 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)nc1 ZINC000358302650 457921872 /nfs/dbraw/zinc/92/18/72/457921872.db2.gz QDKPFATYXBLJBA-YPAWHYETSA-N 2 2 333.479 3.222 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000361890718 457935523 /nfs/dbraw/zinc/93/55/23/457935523.db2.gz UQPBLGKNXGWEAN-HNAYVOBHSA-N 2 2 341.455 3.312 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000361890718 457935527 /nfs/dbraw/zinc/93/55/27/457935527.db2.gz UQPBLGKNXGWEAN-HNAYVOBHSA-N 2 2 341.455 3.312 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000375455232 457937173 /nfs/dbraw/zinc/93/71/73/457937173.db2.gz ALJPBMNYZIFXID-IBGZPJMESA-N 2 2 325.456 3.429 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000375455232 457937177 /nfs/dbraw/zinc/93/71/77/457937177.db2.gz ALJPBMNYZIFXID-IBGZPJMESA-N 2 2 325.456 3.429 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427105706 457943786 /nfs/dbraw/zinc/94/37/86/457943786.db2.gz ABHWIBOHTAPABF-GDBMZVCRSA-N 2 2 338.879 3.321 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427105706 457943795 /nfs/dbraw/zinc/94/37/95/457943795.db2.gz ABHWIBOHTAPABF-GDBMZVCRSA-N 2 2 338.879 3.321 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099826 457947165 /nfs/dbraw/zinc/94/71/65/457947165.db2.gz LZBZLQGVJVYHOY-FUHWJXTLSA-N 2 2 337.471 3.324 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099826 457947169 /nfs/dbraw/zinc/94/71/69/457947169.db2.gz LZBZLQGVJVYHOY-FUHWJXTLSA-N 2 2 337.471 3.324 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000434191560 457960147 /nfs/dbraw/zinc/96/01/47/457960147.db2.gz OCHAVRQCYHRVPL-KRWDZBQOSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000434191560 457960155 /nfs/dbraw/zinc/96/01/55/457960155.db2.gz OCHAVRQCYHRVPL-KRWDZBQOSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000434191560 457960163 /nfs/dbraw/zinc/96/01/63/457960163.db2.gz OCHAVRQCYHRVPL-KRWDZBQOSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000434191560 457960170 /nfs/dbraw/zinc/96/01/70/457960170.db2.gz OCHAVRQCYHRVPL-KRWDZBQOSA-N 2 2 326.488 3.379 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000361982944 457991763 /nfs/dbraw/zinc/99/17/63/457991763.db2.gz SCEDKDJHNFOQLP-QXAKKESOSA-N 2 2 332.488 3.125 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC[C@H]2CCCO2)c1 ZINC000361982944 457991769 /nfs/dbraw/zinc/99/17/69/457991769.db2.gz SCEDKDJHNFOQLP-QXAKKESOSA-N 2 2 332.488 3.125 20 0 EGADLP CCC[C@@H](C(=O)OCC)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434674045 458033848 /nfs/dbraw/zinc/03/38/48/458033848.db2.gz GRNRXZOYXBLATC-KRWDZBQOSA-N 2 2 333.476 3.131 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC[C@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736975 458043144 /nfs/dbraw/zinc/04/31/44/458043144.db2.gz MURKQQVFCPGSDW-DFQSSKMNSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC[C@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736975 458043147 /nfs/dbraw/zinc/04/31/47/458043147.db2.gz MURKQQVFCPGSDW-DFQSSKMNSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC[C@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736975 458043150 /nfs/dbraw/zinc/04/31/50/458043150.db2.gz MURKQQVFCPGSDW-DFQSSKMNSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC[C@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736975 458043154 /nfs/dbraw/zinc/04/31/54/458043154.db2.gz MURKQQVFCPGSDW-DFQSSKMNSA-N 2 2 348.535 3.084 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374679 458123985 /nfs/dbraw/zinc/12/39/85/458123985.db2.gz JQOLRLBBWCIOHB-DGCLKSJQSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374679 458123986 /nfs/dbraw/zinc/12/39/86/458123986.db2.gz JQOLRLBBWCIOHB-DGCLKSJQSA-N 2 2 349.276 3.008 20 0 EGADLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000435379178 458127767 /nfs/dbraw/zinc/12/77/67/458127767.db2.gz LIGLGMMTKQEOOQ-CQSZACIVSA-N 2 2 346.393 3.210 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000435379178 458127772 /nfs/dbraw/zinc/12/77/72/458127772.db2.gz LIGLGMMTKQEOOQ-CQSZACIVSA-N 2 2 346.393 3.210 20 0 EGADLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000435389188 458133536 /nfs/dbraw/zinc/13/35/36/458133536.db2.gz KZLRBGMLQDEDET-AWEZNQCLSA-N 2 2 332.419 3.192 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000435389188 458133542 /nfs/dbraw/zinc/13/35/42/458133542.db2.gz KZLRBGMLQDEDET-AWEZNQCLSA-N 2 2 332.419 3.192 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428430540 458141759 /nfs/dbraw/zinc/14/17/59/458141759.db2.gz NIZINIRBWYPOJU-RDJZCZTQSA-N 2 2 337.508 3.333 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428430540 458141765 /nfs/dbraw/zinc/14/17/65/458141765.db2.gz NIZINIRBWYPOJU-RDJZCZTQSA-N 2 2 337.508 3.333 20 0 EGADLP Cn1ccnc1C[N@H+](Cc1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426796 458142609 /nfs/dbraw/zinc/14/26/09/458142609.db2.gz JTXXVILXILFAJB-KRWDZBQOSA-N 2 2 344.890 3.218 20 0 EGADLP Cn1ccnc1C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426796 458142615 /nfs/dbraw/zinc/14/26/15/458142615.db2.gz JTXXVILXILFAJB-KRWDZBQOSA-N 2 2 344.890 3.218 20 0 EGADLP COc1ccccc1C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435436849 458145926 /nfs/dbraw/zinc/14/59/26/458145926.db2.gz HPTQJGYMIOPQPC-OAHLLOKOSA-N 2 2 331.485 3.072 20 0 EGADLP COc1ccccc1C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435436849 458145932 /nfs/dbraw/zinc/14/59/32/458145932.db2.gz HPTQJGYMIOPQPC-OAHLLOKOSA-N 2 2 331.485 3.072 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376040887 458173675 /nfs/dbraw/zinc/17/36/75/458173675.db2.gz CLAPLZRBMFTQTN-KRWDZBQOSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376040887 458173680 /nfs/dbraw/zinc/17/36/80/458173680.db2.gz CLAPLZRBMFTQTN-KRWDZBQOSA-N 2 2 335.455 3.294 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000435777285 458203472 /nfs/dbraw/zinc/20/34/72/458203472.db2.gz IABVQTABUYUZRG-KRWDZBQOSA-N 2 2 333.439 3.151 20 0 EGADLP c1ccc(C2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CCC2)nc1 ZINC000376135879 458208021 /nfs/dbraw/zinc/20/80/21/458208021.db2.gz ZUPYEYQWZXIRHQ-UHFFFAOYSA-N 2 2 336.483 3.153 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000372330942 458278387 /nfs/dbraw/zinc/27/83/87/458278387.db2.gz HGNUJMDZZDIJEC-QGPMSJSTSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Cl ZINC000372330942 458278391 /nfs/dbraw/zinc/27/83/91/458278391.db2.gz HGNUJMDZZDIJEC-QGPMSJSTSA-N 2 2 338.879 3.032 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c[nH+]1 ZINC000414890379 458326660 /nfs/dbraw/zinc/32/66/60/458326660.db2.gz HGVAJWXDWHYHNX-WOJBJXKFSA-N 3 2 327.447 3.197 20 0 EGADLP CC[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](CC)CC ZINC000447675343 458328397 /nfs/dbraw/zinc/32/83/97/458328397.db2.gz ARERMLBGKQKVKP-SFHVURJKSA-N 2 2 346.519 3.046 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447683308 458328917 /nfs/dbraw/zinc/32/89/17/458328917.db2.gz OWWYFFNVRCCYJU-HNNXBMFYSA-N 2 2 346.519 3.092 20 0 EGADLP C=Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000447747136 458336904 /nfs/dbraw/zinc/33/69/04/458336904.db2.gz RQKUWBOPCNHMHO-OAQYLSRUSA-N 2 2 336.483 3.472 20 0 EGADLP C=Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000447747136 458336907 /nfs/dbraw/zinc/33/69/07/458336907.db2.gz RQKUWBOPCNHMHO-OAQYLSRUSA-N 2 2 336.483 3.472 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000447747136 458336911 /nfs/dbraw/zinc/33/69/11/458336911.db2.gz RQKUWBOPCNHMHO-OAQYLSRUSA-N 2 2 336.483 3.472 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000447747136 458336916 /nfs/dbraw/zinc/33/69/16/458336916.db2.gz RQKUWBOPCNHMHO-OAQYLSRUSA-N 2 2 336.483 3.472 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459362106 458344195 /nfs/dbraw/zinc/34/41/95/458344195.db2.gz GTGPYXKQESDLBF-UHFFFAOYSA-N 2 2 336.483 3.151 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCc4cccc(C)c4C3)c2cc1C ZINC000429568265 458346505 /nfs/dbraw/zinc/34/65/05/458346505.db2.gz ZPYUZFAFUDTQGD-IBGZPJMESA-N 2 2 349.478 3.381 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCc4cccc(C)c4C3)c2cc1C ZINC000429568265 458346512 /nfs/dbraw/zinc/34/65/12/458346512.db2.gz ZPYUZFAFUDTQGD-IBGZPJMESA-N 2 2 349.478 3.381 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000459447731 458375004 /nfs/dbraw/zinc/37/50/04/458375004.db2.gz VAJXVIZMUDAORM-GTPINHCMSA-N 2 2 337.533 3.161 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C2CC(OC(C)C)C2)C1 ZINC000459447731 458375009 /nfs/dbraw/zinc/37/50/09/458375009.db2.gz VAJXVIZMUDAORM-GTPINHCMSA-N 2 2 337.533 3.161 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459447731 458375015 /nfs/dbraw/zinc/37/50/15/458375015.db2.gz VAJXVIZMUDAORM-GTPINHCMSA-N 2 2 337.533 3.161 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459447731 458375018 /nfs/dbraw/zinc/37/50/18/458375018.db2.gz VAJXVIZMUDAORM-GTPINHCMSA-N 2 2 337.533 3.161 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000376734714 458378478 /nfs/dbraw/zinc/37/84/78/458378478.db2.gz CLYWBGWZXMDQPS-UONOGXRCSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000376734714 458378480 /nfs/dbraw/zinc/37/84/80/458378480.db2.gz CLYWBGWZXMDQPS-UONOGXRCSA-N 2 2 339.277 3.174 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448025561 458382138 /nfs/dbraw/zinc/38/21/38/458382138.db2.gz DUHKASSIBONIOJ-FUHWJXTLSA-N 2 2 331.504 3.138 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448025561 458382144 /nfs/dbraw/zinc/38/21/44/458382144.db2.gz DUHKASSIBONIOJ-FUHWJXTLSA-N 2 2 331.504 3.138 20 0 EGADLP c1[nH+]c(C2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)n2c1CCCC2 ZINC000459507998 458394561 /nfs/dbraw/zinc/39/45/61/458394561.db2.gz RYWUMNQPGRJARC-UHFFFAOYSA-N 2 2 337.471 3.266 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000373107035 458399208 /nfs/dbraw/zinc/39/92/08/458399208.db2.gz OVCIMGXWAUKFIP-QGZVFWFLSA-N 2 2 342.487 3.311 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000373107035 458399214 /nfs/dbraw/zinc/39/92/14/458399214.db2.gz OVCIMGXWAUKFIP-QGZVFWFLSA-N 2 2 342.487 3.311 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550265 458408052 /nfs/dbraw/zinc/40/80/52/458408052.db2.gz HQNOWEVXIFDIIG-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550265 458408058 /nfs/dbraw/zinc/40/80/58/458408058.db2.gz HQNOWEVXIFDIIG-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550265 458408061 /nfs/dbraw/zinc/40/80/61/458408061.db2.gz HQNOWEVXIFDIIG-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550265 458408065 /nfs/dbraw/zinc/40/80/65/458408065.db2.gz HQNOWEVXIFDIIG-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142753 458409275 /nfs/dbraw/zinc/40/92/75/458409275.db2.gz DBWFSGLTLFKCBE-IBGZPJMESA-N 2 2 344.890 3.268 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142753 458409279 /nfs/dbraw/zinc/40/92/79/458409279.db2.gz DBWFSGLTLFKCBE-IBGZPJMESA-N 2 2 344.890 3.268 20 0 EGADLP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142753 458409282 /nfs/dbraw/zinc/40/92/82/458409282.db2.gz DBWFSGLTLFKCBE-IBGZPJMESA-N 2 2 344.890 3.268 20 0 EGADLP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142753 458409285 /nfs/dbraw/zinc/40/92/85/458409285.db2.gz DBWFSGLTLFKCBE-IBGZPJMESA-N 2 2 344.890 3.268 20 0 EGADLP COC(=O)[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cc(C)cc(C)c1 ZINC000459614709 458428050 /nfs/dbraw/zinc/42/80/50/458428050.db2.gz WODMCFDQZHJVNR-GOSISDBHSA-N 2 2 329.444 3.092 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000423444515 458435031 /nfs/dbraw/zinc/43/50/31/458435031.db2.gz XRNNEHPMHVLJIK-OALUTQOASA-N 2 2 338.451 3.386 20 0 EGADLP Fc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000423514013 458447734 /nfs/dbraw/zinc/44/77/34/458447734.db2.gz CRNXHYOGRDNTOR-LPHOPBHVSA-N 2 2 348.849 3.341 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423527127 458452965 /nfs/dbraw/zinc/45/29/65/458452965.db2.gz RFNFPZGLZJCSQQ-YWZLYKJASA-N 2 2 344.430 3.044 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000423536208 458453546 /nfs/dbraw/zinc/45/35/46/458453546.db2.gz ZBCCWRFNUQZTGZ-ORYQWCPZSA-N 2 2 332.451 3.279 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)cc1 ZINC000423543154 458455402 /nfs/dbraw/zinc/45/54/02/458455402.db2.gz BNPDMTNDZIHOIR-ZWKOTPCHSA-N 2 2 334.822 3.147 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423550262 458455986 /nfs/dbraw/zinc/45/59/86/458455986.db2.gz FOJMVZJUTPHMIG-LJQANCHMSA-N 3 2 339.483 3.240 20 0 EGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000423568886 458457886 /nfs/dbraw/zinc/45/78/86/458457886.db2.gz MMFVALLEHQUADI-JKSUJKDBSA-N 2 2 341.293 3.114 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000430546603 458458363 /nfs/dbraw/zinc/45/83/63/458458363.db2.gz DJBVMEAQHHTGAQ-CQSZACIVSA-N 2 2 329.275 3.446 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000430546603 458458368 /nfs/dbraw/zinc/45/83/68/458458368.db2.gz DJBVMEAQHHTGAQ-CQSZACIVSA-N 2 2 329.275 3.446 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000430567974 458461889 /nfs/dbraw/zinc/46/18/89/458461889.db2.gz BSIZHQNKZSLQCK-ZQIUZPCESA-N 2 2 337.533 3.011 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000430567974 458461892 /nfs/dbraw/zinc/46/18/92/458461892.db2.gz BSIZHQNKZSLQCK-ZQIUZPCESA-N 2 2 337.533 3.011 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564941 458462030 /nfs/dbraw/zinc/46/20/30/458462030.db2.gz NNUCRHWOHYMEOT-ZIAGYGMSSA-N 2 2 349.475 3.420 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564941 458462036 /nfs/dbraw/zinc/46/20/36/458462036.db2.gz NNUCRHWOHYMEOT-ZIAGYGMSSA-N 2 2 349.475 3.420 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])n2)cc1F ZINC000430574654 458463301 /nfs/dbraw/zinc/46/33/01/458463301.db2.gz JCJFNOBLGCVIOI-PBHICJAKSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])n2)cc1F ZINC000430574654 458463307 /nfs/dbraw/zinc/46/33/07/458463307.db2.gz JCJFNOBLGCVIOI-PBHICJAKSA-N 2 2 346.450 3.176 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607195 458470449 /nfs/dbraw/zinc/47/04/49/458470449.db2.gz XQMRBXXUEMEFES-SJORKVTESA-N 2 2 331.504 3.377 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607195 458470455 /nfs/dbraw/zinc/47/04/55/458470455.db2.gz XQMRBXXUEMEFES-SJORKVTESA-N 2 2 331.504 3.377 20 0 EGADLP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccccc1Oc1ccccc1 ZINC000430617065 458471801 /nfs/dbraw/zinc/47/18/01/458471801.db2.gz JSQYKZPRCQJRNR-UHFFFAOYSA-N 2 2 339.439 3.103 20 0 EGADLP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccccc1Oc1ccccc1 ZINC000430617065 458471803 /nfs/dbraw/zinc/47/18/03/458471803.db2.gz JSQYKZPRCQJRNR-UHFFFAOYSA-N 2 2 339.439 3.103 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430614383 458471810 /nfs/dbraw/zinc/47/18/10/458471810.db2.gz YXKTUEQXBNEPRA-MRXNPFEDSA-N 2 2 339.439 3.088 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430614383 458471814 /nfs/dbraw/zinc/47/18/14/458471814.db2.gz YXKTUEQXBNEPRA-MRXNPFEDSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430946811 458508979 /nfs/dbraw/zinc/50/89/79/458508979.db2.gz YBZQFUBBOONYRQ-DNVCBOLYSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430946811 458508982 /nfs/dbraw/zinc/50/89/82/458508982.db2.gz YBZQFUBBOONYRQ-DNVCBOLYSA-N 2 2 339.439 3.087 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH2+]C)C3)cs2)cc1 ZINC000430952008 458509639 /nfs/dbraw/zinc/50/96/39/458509639.db2.gz XCMUKXUPCKAFBG-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH2+]C)C3)cs2)cc1 ZINC000430952008 458509644 /nfs/dbraw/zinc/50/96/44/458509644.db2.gz XCMUKXUPCKAFBG-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000431082405 458526388 /nfs/dbraw/zinc/52/63/88/458526388.db2.gz IURRVMTUQSJPEQ-IBGZPJMESA-N 2 2 328.460 3.108 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)n1 ZINC000431082405 458526394 /nfs/dbraw/zinc/52/63/94/458526394.db2.gz IURRVMTUQSJPEQ-IBGZPJMESA-N 2 2 328.460 3.108 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)/C=C/c3[nH]cc[nH+]3)c2)CC1 ZINC000493672762 458532531 /nfs/dbraw/zinc/53/25/31/458532531.db2.gz IOMHZTIOGZIDCU-AATRIKPKSA-N 2 2 338.455 3.336 20 0 EGADLP Cc1ccc([C@@H](CNc2[nH+]c3ccc(F)cc3n2C)[NH+]2CCCC2)o1 ZINC000431428947 458571037 /nfs/dbraw/zinc/57/10/37/458571037.db2.gz HKWYMXCMUHNSLN-QGZVFWFLSA-N 2 2 342.418 3.285 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)s1 ZINC000424195625 458581402 /nfs/dbraw/zinc/58/14/02/458581402.db2.gz ZGMPVJWHLBMKPG-UHFFFAOYSA-N 2 2 341.521 3.052 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000424259451 458594568 /nfs/dbraw/zinc/59/45/68/458594568.db2.gz CQMQDIFXIWXUJG-LYBXBRPPSA-N 2 2 344.499 3.391 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867609 458598937 /nfs/dbraw/zinc/59/89/37/458598937.db2.gz UHLSVQDMBQKDHB-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867609 458598943 /nfs/dbraw/zinc/59/89/43/458598943.db2.gz UHLSVQDMBQKDHB-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCc3ccccc3OC1)C2 ZINC000493937073 458603373 /nfs/dbraw/zinc/60/33/73/458603373.db2.gz NFZYKABEFLVHPM-DLBZAZTESA-N 2 2 339.483 3.479 20 0 EGADLP Cc1ccc(-c2cccc(C[N@H+]3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)c2)cc1 ZINC000424379346 458629553 /nfs/dbraw/zinc/62/95/53/458629553.db2.gz OKJJRGMURLKTCB-FCHUYYIVSA-N 2 2 346.478 3.322 20 0 EGADLP Cc1ccc(-c2cccc(C[N@@H+]3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)c2)cc1 ZINC000424379346 458629554 /nfs/dbraw/zinc/62/95/54/458629554.db2.gz OKJJRGMURLKTCB-FCHUYYIVSA-N 2 2 346.478 3.322 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575280 458638878 /nfs/dbraw/zinc/63/88/78/458638878.db2.gz WTBAQZWNABZQBY-OALUTQOASA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575280 458638884 /nfs/dbraw/zinc/63/88/84/458638884.db2.gz WTBAQZWNABZQBY-OALUTQOASA-N 2 2 348.849 3.225 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000438999777 458640876 /nfs/dbraw/zinc/64/08/76/458640876.db2.gz MSUUTPUNUSPTHV-CQSZACIVSA-N 2 2 342.443 3.201 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000494608038 458709631 /nfs/dbraw/zinc/70/96/31/458709631.db2.gz PJHJUGDVKHKIJH-HNNXBMFYSA-N 2 2 344.459 3.071 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000494608038 458709638 /nfs/dbraw/zinc/70/96/38/458709638.db2.gz PJHJUGDVKHKIJH-HNNXBMFYSA-N 2 2 344.459 3.071 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277171 458713713 /nfs/dbraw/zinc/71/37/13/458713713.db2.gz VRVPYZZERJJOEF-OALUTQOASA-N 2 2 330.859 3.086 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277171 458713721 /nfs/dbraw/zinc/71/37/21/458713721.db2.gz VRVPYZZERJJOEF-OALUTQOASA-N 2 2 330.859 3.086 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000439695348 458742329 /nfs/dbraw/zinc/74/23/29/458742329.db2.gz LCASUHATKORCIA-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000439695348 458742336 /nfs/dbraw/zinc/74/23/36/458742336.db2.gz LCASUHATKORCIA-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CCCc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852370 458743549 /nfs/dbraw/zinc/74/35/49/458743549.db2.gz VSQUNAUADVGBIF-QZTJIDSGSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852370 458743555 /nfs/dbraw/zinc/74/35/55/458743555.db2.gz VSQUNAUADVGBIF-QZTJIDSGSA-N 2 2 342.487 3.194 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079477 458795255 /nfs/dbraw/zinc/79/52/55/458795255.db2.gz AGSKPDKTJGFJAY-AEFFLSMTSA-N 2 2 333.524 3.384 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079477 458795256 /nfs/dbraw/zinc/79/52/56/458795256.db2.gz AGSKPDKTJGFJAY-AEFFLSMTSA-N 2 2 333.524 3.384 20 0 EGADLP COc1cccc2c(NCCC[N@@H+]3CCCO[C@H](C)C3)c(C)c[nH+]c12 ZINC000432878935 458805664 /nfs/dbraw/zinc/80/56/64/458805664.db2.gz JXKWHWAOHHOLJA-MRXNPFEDSA-N 2 2 343.471 3.465 20 0 EGADLP COc1cccc2c(NCCC[N@H+]3CCCO[C@H](C)C3)c(C)c[nH+]c12 ZINC000432878935 458805668 /nfs/dbraw/zinc/80/56/68/458805668.db2.gz JXKWHWAOHHOLJA-MRXNPFEDSA-N 2 2 343.471 3.465 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C[N@H+](Cc2ccccc2)C1 ZINC000433040903 458831697 /nfs/dbraw/zinc/83/16/97/458831697.db2.gz SLGQVJYVDBAKMT-NSISKUIASA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000433040903 458831701 /nfs/dbraw/zinc/83/17/01/458831701.db2.gz SLGQVJYVDBAKMT-NSISKUIASA-N 2 2 336.479 3.360 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)ccc2n1C ZINC000531152254 458879757 /nfs/dbraw/zinc/87/97/57/458879757.db2.gz HEVXHYRMLVIMPQ-OAHLLOKOSA-N 2 2 340.471 3.475 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)ccc2n1C ZINC000531152254 458879761 /nfs/dbraw/zinc/87/97/61/458879761.db2.gz HEVXHYRMLVIMPQ-OAHLLOKOSA-N 2 2 340.471 3.475 20 0 EGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000474384257 458882127 /nfs/dbraw/zinc/88/21/27/458882127.db2.gz JKPGCVIZZJDLEU-PXNSSMCTSA-N 2 2 331.504 3.364 20 0 EGADLP CCOC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123406 458891410 /nfs/dbraw/zinc/89/14/10/458891410.db2.gz JPLXYDQRQJRZRO-PKOBYXMFSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123406 458891416 /nfs/dbraw/zinc/89/14/16/458891416.db2.gz JPLXYDQRQJRZRO-PKOBYXMFSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000441123406 458891419 /nfs/dbraw/zinc/89/14/19/458891419.db2.gz JPLXYDQRQJRZRO-PKOBYXMFSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000441123406 458891424 /nfs/dbraw/zinc/89/14/24/458891424.db2.gz JPLXYDQRQJRZRO-PKOBYXMFSA-N 2 2 330.472 3.023 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000518797506 458894058 /nfs/dbraw/zinc/89/40/58/458894058.db2.gz WNBLTLIDASCKRM-MJGOQNOKSA-N 2 2 347.547 3.459 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000518797506 458894066 /nfs/dbraw/zinc/89/40/66/458894066.db2.gz WNBLTLIDASCKRM-MJGOQNOKSA-N 2 2 347.547 3.459 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000566439823 458933788 /nfs/dbraw/zinc/93/37/88/458933788.db2.gz OVUXODLIMHWYOY-HNNXBMFYSA-N 2 2 326.444 3.131 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000566439823 458933796 /nfs/dbraw/zinc/93/37/96/458933796.db2.gz OVUXODLIMHWYOY-HNNXBMFYSA-N 2 2 326.444 3.131 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441387566 458934042 /nfs/dbraw/zinc/93/40/42/458934042.db2.gz YCCDYKITDDBUHW-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441387566 458934047 /nfs/dbraw/zinc/93/40/47/458934047.db2.gz YCCDYKITDDBUHW-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441387566 458934053 /nfs/dbraw/zinc/93/40/53/458934053.db2.gz YCCDYKITDDBUHW-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441387566 458934056 /nfs/dbraw/zinc/93/40/56/458934056.db2.gz YCCDYKITDDBUHW-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)o1 ZINC000531677726 458959836 /nfs/dbraw/zinc/95/98/36/458959836.db2.gz STMGDXBWGVJDSF-HOTGVXAUSA-N 2 2 333.501 3.289 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556432939 458961302 /nfs/dbraw/zinc/96/13/02/458961302.db2.gz VZBYAPTVKRJGEP-UHFFFAOYSA-N 2 2 349.482 3.371 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390465 458973001 /nfs/dbraw/zinc/97/30/01/458973001.db2.gz VYKLLCYPSBKFDM-OALUTQOASA-N 2 2 335.923 3.407 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390465 458973003 /nfs/dbraw/zinc/97/30/03/458973003.db2.gz VYKLLCYPSBKFDM-OALUTQOASA-N 2 2 335.923 3.407 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000519646861 458980937 /nfs/dbraw/zinc/98/09/37/458980937.db2.gz JBLSEXXKQWPWJE-HNNXBMFYSA-N 2 2 337.533 3.127 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(N2CCCC2=O)c1 ZINC000531939147 459003189 /nfs/dbraw/zinc/00/31/89/459003189.db2.gz AAEIJFLRJUZGDT-INIZCTEOSA-N 2 2 326.444 3.141 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000519802893 459007223 /nfs/dbraw/zinc/00/72/23/459007223.db2.gz PQZUUIWCIJTEGW-UHFFFAOYSA-N 2 2 330.457 3.162 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754747 459031674 /nfs/dbraw/zinc/03/16/74/459031674.db2.gz IOHJISSMVFRSDD-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754747 459031679 /nfs/dbraw/zinc/03/16/79/459031679.db2.gz IOHJISSMVFRSDD-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP Fc1cc(C(F)(F)F)c(F)cc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000520248200 459043299 /nfs/dbraw/zinc/04/32/99/459043299.db2.gz SUEMYDJHFLFTIO-UHFFFAOYSA-N 2 2 346.303 3.029 20 0 EGADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000567093821 459045930 /nfs/dbraw/zinc/04/59/30/459045930.db2.gz HEIRLWBJRLICAJ-OKZBNKHCSA-N 2 2 339.487 3.319 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442889324 459055477 /nfs/dbraw/zinc/05/54/77/459055477.db2.gz JZUCCVPGSQAICW-GOSISDBHSA-N 2 2 337.552 3.269 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C[NH3+])c1ccc3ccccc3c1)CO2 ZINC000577740073 459086235 /nfs/dbraw/zinc/08/62/35/459086235.db2.gz AUULPKGJVZGOMF-TZIWHRDSSA-N 2 2 348.446 3.442 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487635 459165432 /nfs/dbraw/zinc/16/54/32/459165432.db2.gz OSQNKIANBPJWHS-VQIMIIECSA-N 2 2 340.471 3.222 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487635 459165438 /nfs/dbraw/zinc/16/54/38/459165438.db2.gz OSQNKIANBPJWHS-VQIMIIECSA-N 2 2 340.471 3.222 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CN1C(=O)OC(C)(C)C ZINC000496361770 459165537 /nfs/dbraw/zinc/16/55/37/459165537.db2.gz PFQVBXDBZYXULJ-HUUCEWRRSA-N 2 2 348.491 3.097 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000558621161 459182648 /nfs/dbraw/zinc/18/26/48/459182648.db2.gz PAGWUVJHLORIDP-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP COc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1OC(C)C ZINC000521988209 459199559 /nfs/dbraw/zinc/19/95/59/459199559.db2.gz KETBFXHMNHEBOD-UHFFFAOYSA-N 2 2 329.444 3.305 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000578523916 459216629 /nfs/dbraw/zinc/21/66/29/459216629.db2.gz VKKQMMCJFWGQMP-IRXDYDNUSA-N 2 2 347.503 3.122 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866378 459274825 /nfs/dbraw/zinc/27/48/25/459274825.db2.gz CEZZERRQGMYGND-INIZCTEOSA-N 2 2 340.471 3.280 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866378 459274830 /nfs/dbraw/zinc/27/48/30/459274830.db2.gz CEZZERRQGMYGND-INIZCTEOSA-N 2 2 340.471 3.280 20 0 EGADLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccccc1I ZINC000581937728 459279740 /nfs/dbraw/zinc/27/97/40/459279740.db2.gz IGMUCYYWHFUSSY-GFCCVEGCSA-N 2 2 346.256 3.330 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000482243393 459298962 /nfs/dbraw/zinc/29/89/62/459298962.db2.gz LPAVGUGZAVDUQQ-CYBMUJFWSA-N 2 2 331.287 3.236 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000482243393 459298963 /nfs/dbraw/zinc/29/89/63/459298963.db2.gz LPAVGUGZAVDUQQ-CYBMUJFWSA-N 2 2 331.287 3.236 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000568628230 459319369 /nfs/dbraw/zinc/31/93/69/459319369.db2.gz PDLRMUCJERAEQJ-QFBILLFUSA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000568628230 459319373 /nfs/dbraw/zinc/31/93/73/459319373.db2.gz PDLRMUCJERAEQJ-QFBILLFUSA-N 2 2 334.529 3.222 20 0 EGADLP c1ccc2c(c1)CC[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000582174718 459320501 /nfs/dbraw/zinc/32/05/01/459320501.db2.gz MMQLUDKELOIZAU-UHFFFAOYSA-N 2 2 336.479 3.120 20 0 EGADLP CC[C@@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCOC1 ZINC000482710109 459323066 /nfs/dbraw/zinc/32/30/66/459323066.db2.gz CZWFNRKEYASQPL-ZWKOTPCHSA-N 2 2 338.536 3.205 20 0 EGADLP CC[C@@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCOC1 ZINC000482710109 459323070 /nfs/dbraw/zinc/32/30/70/459323070.db2.gz CZWFNRKEYASQPL-ZWKOTPCHSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659329 459324098 /nfs/dbraw/zinc/32/40/98/459324098.db2.gz MOHFQFFVKRJBOP-JLSDUUJJSA-N 2 2 349.494 3.231 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659329 459324104 /nfs/dbraw/zinc/32/41/04/459324104.db2.gz MOHFQFFVKRJBOP-JLSDUUJJSA-N 2 2 349.494 3.231 20 0 EGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CC(C)C3)c2C1 ZINC000582429358 459364717 /nfs/dbraw/zinc/36/47/17/459364717.db2.gz QPAWRPFDPJBNFN-INIZCTEOSA-N 2 2 329.488 3.327 20 0 EGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CC(C)C3)c2C1 ZINC000582429358 459364722 /nfs/dbraw/zinc/36/47/22/459364722.db2.gz QPAWRPFDPJBNFN-INIZCTEOSA-N 2 2 329.488 3.327 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000483686370 459382004 /nfs/dbraw/zinc/38/20/04/459382004.db2.gz PXWVTNRIHKDIHO-BVOGOJNSSA-N 2 2 338.499 3.477 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000483686370 459382009 /nfs/dbraw/zinc/38/20/09/459382009.db2.gz PXWVTNRIHKDIHO-BVOGOJNSSA-N 2 2 338.499 3.477 20 0 EGADLP CCc1cccc(Cl)c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000582633929 459399591 /nfs/dbraw/zinc/39/95/91/459399591.db2.gz XTKLPTZIKYEUHB-UHFFFAOYSA-N 2 2 337.939 3.360 20 0 EGADLP CCc1cccc(Cl)c1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000582633929 459399596 /nfs/dbraw/zinc/39/95/96/459399596.db2.gz XTKLPTZIKYEUHB-UHFFFAOYSA-N 2 2 337.939 3.360 20 0 EGADLP CCc1cccc(Cl)c1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000582633929 459399599 /nfs/dbraw/zinc/39/95/99/459399599.db2.gz XTKLPTZIKYEUHB-UHFFFAOYSA-N 2 2 337.939 3.360 20 0 EGADLP CCc1cccc(Cl)c1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582633929 459399605 /nfs/dbraw/zinc/39/96/05/459399605.db2.gz XTKLPTZIKYEUHB-UHFFFAOYSA-N 2 2 337.939 3.360 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000582781287 459426406 /nfs/dbraw/zinc/42/64/06/459426406.db2.gz XQFXJQRTKFPKPV-IBGZPJMESA-N 2 2 342.483 3.260 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000569446590 459453336 /nfs/dbraw/zinc/45/33/36/459453336.db2.gz CPSSYXAIVSLPMM-DLBZAZTESA-N 2 2 347.507 3.187 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078373 459478501 /nfs/dbraw/zinc/47/85/01/459478501.db2.gz YPQMCMGWXOKKKI-IEBWSBKVSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078373 459478504 /nfs/dbraw/zinc/47/85/04/459478504.db2.gz YPQMCMGWXOKKKI-IEBWSBKVSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618069 459482959 /nfs/dbraw/zinc/48/29/59/459482959.db2.gz BUAXXFCLZNGIPO-VQIMIIECSA-N 2 2 349.478 3.262 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618069 459482969 /nfs/dbraw/zinc/48/29/69/459482969.db2.gz BUAXXFCLZNGIPO-VQIMIIECSA-N 2 2 349.478 3.262 20 0 EGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569822823 459516149 /nfs/dbraw/zinc/51/61/49/459516149.db2.gz UWZHMNQQABBZHX-HNNXBMFYSA-N 2 2 349.276 3.446 20 0 EGADLP c1nc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000583427123 459537053 /nfs/dbraw/zinc/53/70/53/459537053.db2.gz XQWIRRDEAHAWHS-SFHVURJKSA-N 2 2 326.444 3.393 20 0 EGADLP c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000583427123 459537058 /nfs/dbraw/zinc/53/70/58/459537058.db2.gz XQWIRRDEAHAWHS-SFHVURJKSA-N 2 2 326.444 3.393 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000569955884 459538892 /nfs/dbraw/zinc/53/88/92/459538892.db2.gz VYGPJCMLFLPHAF-OAHLLOKOSA-N 2 2 345.443 3.409 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280743 459544149 /nfs/dbraw/zinc/54/41/49/459544149.db2.gz POQVLVSLYIWNGO-QUCCMNQESA-N 2 2 347.934 3.429 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280743 459544155 /nfs/dbraw/zinc/54/41/55/459544155.db2.gz POQVLVSLYIWNGO-QUCCMNQESA-N 2 2 347.934 3.429 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)CC[NH2+]C4CC4)cc3)[nH+]c12 ZINC000583510003 459552639 /nfs/dbraw/zinc/55/26/39/459552639.db2.gz DGLRRZBNTNTICJ-UHFFFAOYSA-N 2 2 334.423 3.390 20 0 EGADLP C[C@@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C1CCC1 ZINC000526983985 459571983 /nfs/dbraw/zinc/57/19/83/459571983.db2.gz NUIKNQALZGMTQE-CQSZACIVSA-N 2 2 328.460 3.038 20 0 EGADLP Cc1cc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000572981885 459605947 /nfs/dbraw/zinc/60/59/47/459605947.db2.gz DPNUTIPKFJLRTE-QGZVFWFLSA-N 2 2 331.847 3.271 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000573168711 459635527 /nfs/dbraw/zinc/63/55/27/459635527.db2.gz BMOWQWPCJVNUBB-MOPGFXCFSA-N 2 2 344.524 3.385 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000573168711 459635533 /nfs/dbraw/zinc/63/55/33/459635533.db2.gz BMOWQWPCJVNUBB-MOPGFXCFSA-N 2 2 344.524 3.385 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000499672786 459645167 /nfs/dbraw/zinc/64/51/67/459645167.db2.gz URYUOHPRPFSOJB-TZMCWYRMSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000499672786 459645173 /nfs/dbraw/zinc/64/51/73/459645173.db2.gz URYUOHPRPFSOJB-TZMCWYRMSA-N 2 2 328.378 3.299 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000562969015 459681956 /nfs/dbraw/zinc/68/19/56/459681956.db2.gz VKZQAUIYIUAURQ-RTBURBONSA-N 2 2 329.488 3.212 20 0 EGADLP Cn1cc(-c2nc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cs2)cn1 ZINC000527671768 459694043 /nfs/dbraw/zinc/69/40/43/459694043.db2.gz YOSNGYMWBDCOQR-UHFFFAOYSA-N 2 2 345.516 3.040 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1Cl ZINC000543994926 459716719 /nfs/dbraw/zinc/71/67/19/459716719.db2.gz JMOCRAHRNFVBSW-HIFRSBDPSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1Cl ZINC000543994926 459716725 /nfs/dbraw/zinc/71/67/25/459716725.db2.gz JMOCRAHRNFVBSW-HIFRSBDPSA-N 2 2 337.895 3.297 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000563135113 459722129 /nfs/dbraw/zinc/72/21/29/459722129.db2.gz FXDBMFAMTWJYBU-GJZGRUSLSA-N 2 2 338.879 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000563135113 459722134 /nfs/dbraw/zinc/72/21/34/459722134.db2.gz FXDBMFAMTWJYBU-GJZGRUSLSA-N 2 2 338.879 3.179 20 0 EGADLP Cc1ccc([C@@H]([NH2+]CCc2cc[nH+]cc2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000573718014 459724014 /nfs/dbraw/zinc/72/40/14/459724014.db2.gz NGEGIGJBASSNJR-APWZRJJASA-N 2 2 346.496 3.005 20 0 EGADLP O[C@H](CNc1[nH+]ccc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000527841380 459756339 /nfs/dbraw/zinc/75/63/39/459756339.db2.gz HMYRMUVRVPABCQ-LJQANCHMSA-N 2 2 333.435 3.066 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2[nH+]ccc3ccccc32)C1 ZINC000527958492 459782001 /nfs/dbraw/zinc/78/20/01/459782001.db2.gz SYCDHFFXZQWFSP-LJQANCHMSA-N 2 2 333.435 3.414 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2[nH+]ccc3ccccc32)C1 ZINC000527958492 459782003 /nfs/dbraw/zinc/78/20/03/459782003.db2.gz SYCDHFFXZQWFSP-LJQANCHMSA-N 2 2 333.435 3.414 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000584796285 459803847 /nfs/dbraw/zinc/80/38/47/459803847.db2.gz LZUTVVXTGZALJY-DYVFJYSZSA-N 2 2 328.472 3.313 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000574455522 459820527 /nfs/dbraw/zinc/82/05/27/459820527.db2.gz CDFNRHFWCSSKPS-MRXNPFEDSA-N 2 2 336.451 3.293 20 0 EGADLP COc1cc(F)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1OC ZINC000574455522 459820530 /nfs/dbraw/zinc/82/05/30/459820530.db2.gz CDFNRHFWCSSKPS-MRXNPFEDSA-N 2 2 336.451 3.293 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(C4CC4)CCC3)c2cc1C ZINC000575116683 459930476 /nfs/dbraw/zinc/93/04/76/459930476.db2.gz JDVCRTFMIJAAJW-KRWDZBQOSA-N 2 2 327.472 3.184 20 0 EGADLP CC1CCC(O)(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000575175321 459940793 /nfs/dbraw/zinc/94/07/93/459940793.db2.gz ROGUXCQYFZSGKE-UHFFFAOYSA-N 2 2 348.453 3.323 20 0 EGADLP CCSc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000625103145 460032809 /nfs/dbraw/zinc/03/28/09/460032809.db2.gz XXIXXTOZEISCPM-BETUJISGSA-N 2 2 341.318 3.212 20 0 EGADLP CCSc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000625103145 460032812 /nfs/dbraw/zinc/03/28/12/460032812.db2.gz XXIXXTOZEISCPM-BETUJISGSA-N 2 2 341.318 3.212 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625142269 460048809 /nfs/dbraw/zinc/04/88/09/460048809.db2.gz XKRIAUMRPJVKFI-CQSZACIVSA-N 2 2 326.375 3.023 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625142269 460048814 /nfs/dbraw/zinc/04/88/14/460048814.db2.gz XKRIAUMRPJVKFI-CQSZACIVSA-N 2 2 326.375 3.023 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782146 460061844 /nfs/dbraw/zinc/06/18/44/460061844.db2.gz NBKLFONFXGQCAU-RXVVDRJESA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782146 460061851 /nfs/dbraw/zinc/06/18/51/460061851.db2.gz NBKLFONFXGQCAU-RXVVDRJESA-N 2 2 335.451 3.252 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614274797 460077579 /nfs/dbraw/zinc/07/75/79/460077579.db2.gz CPRCJUJIDJOXGO-GOSISDBHSA-N 2 2 348.450 3.228 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614274797 460077584 /nfs/dbraw/zinc/07/75/84/460077584.db2.gz CPRCJUJIDJOXGO-GOSISDBHSA-N 2 2 348.450 3.228 20 0 EGADLP Cc1cccn2cc(CC(=O)Nc3ccc(C[NH+](C)C)c(C)c3)[nH+]c12 ZINC000576361460 460126645 /nfs/dbraw/zinc/12/66/45/460126645.db2.gz QZSHOQYWJAGILS-UHFFFAOYSA-N 2 2 336.439 3.194 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C1CCC1)C1CCC1 ZINC000625562191 460207183 /nfs/dbraw/zinc/20/71/83/460207183.db2.gz YFTPKXPRVKULHA-UHFFFAOYSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C1CCC1)C1CCC1 ZINC000625562191 460207190 /nfs/dbraw/zinc/20/71/90/460207190.db2.gz YFTPKXPRVKULHA-UHFFFAOYSA-N 2 2 349.563 3.077 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(C)(C)[C@@H]3C3CC3)c2cc1C ZINC000576794993 460213070 /nfs/dbraw/zinc/21/30/70/460213070.db2.gz DJSJRYJIXKWVSI-LPHOPBHVSA-N 2 2 327.472 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(C)(C)[C@@H]3C3CC3)c2cc1C ZINC000576794993 460213077 /nfs/dbraw/zinc/21/30/77/460213077.db2.gz DJSJRYJIXKWVSI-LPHOPBHVSA-N 2 2 327.472 3.134 20 0 EGADLP FC1(F)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000625770815 460257790 /nfs/dbraw/zinc/25/77/90/460257790.db2.gz UCXLLDXIZMBUAW-GOSISDBHSA-N 2 2 338.442 3.399 20 0 EGADLP FC1(F)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000625770815 460257793 /nfs/dbraw/zinc/25/77/93/460257793.db2.gz UCXLLDXIZMBUAW-GOSISDBHSA-N 2 2 338.442 3.399 20 0 EGADLP FC1(F)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000625770815 460257795 /nfs/dbraw/zinc/25/77/95/460257795.db2.gz UCXLLDXIZMBUAW-GOSISDBHSA-N 2 2 338.442 3.399 20 0 EGADLP FC1(F)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000625770815 460257796 /nfs/dbraw/zinc/25/77/96/460257796.db2.gz UCXLLDXIZMBUAW-GOSISDBHSA-N 2 2 338.442 3.399 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625802302 460269744 /nfs/dbraw/zinc/26/97/44/460269744.db2.gz HSMGWZAMQHNCRS-HXUWFJFHSA-N 2 2 330.472 3.218 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625802302 460269746 /nfs/dbraw/zinc/26/97/46/460269746.db2.gz HSMGWZAMQHNCRS-HXUWFJFHSA-N 2 2 330.472 3.218 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439350 460365270 /nfs/dbraw/zinc/36/52/70/460365270.db2.gz YSHUMNVZDSTMED-KBXCAEBGSA-N 2 2 330.472 3.214 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439350 460365274 /nfs/dbraw/zinc/36/52/74/460365274.db2.gz YSHUMNVZDSTMED-KBXCAEBGSA-N 2 2 330.472 3.214 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000626089166 460367400 /nfs/dbraw/zinc/36/74/00/460367400.db2.gz DDCFTHHXKSCDDY-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC000623088752 460409132 /nfs/dbraw/zinc/40/91/32/460409132.db2.gz CGIFRSXJLJIPBG-UHFFFAOYSA-N 2 2 334.357 3.355 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000628475965 460431735 /nfs/dbraw/zinc/43/17/35/460431735.db2.gz RGPIPBQWFPHAPJ-UHFFFAOYSA-N 2 2 342.483 3.039 20 0 EGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000631569611 460448297 /nfs/dbraw/zinc/44/82/97/460448297.db2.gz LEDZNSYYBBZOTJ-NRFANRHFSA-N 2 2 337.467 3.332 20 0 EGADLP [NH3+]C[C@H]1CC[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629511636 460788800 /nfs/dbraw/zinc/78/88/00/460788800.db2.gz LGMBGYWSUXXMJW-SNVBAGLBSA-N 2 2 326.227 3.429 20 0 EGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629511636 460788802 /nfs/dbraw/zinc/78/88/02/460788802.db2.gz LGMBGYWSUXXMJW-SNVBAGLBSA-N 2 2 326.227 3.429 20 0 EGADLP CC[NH+](CC)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635447827 460789629 /nfs/dbraw/zinc/78/96/29/460789629.db2.gz NTAQPGBQGKVMHX-GOSISDBHSA-N 2 2 334.508 3.051 20 0 EGADLP C[C@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)C1CC[NH+](C)CC1 ZINC000623969305 460803542 /nfs/dbraw/zinc/80/35/42/460803542.db2.gz AOVGCQXUVSNEQA-NSHDSACASA-N 2 2 327.407 3.392 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)n1 ZINC000623984871 460810557 /nfs/dbraw/zinc/81/05/57/460810557.db2.gz ZTVODZRLVIKQRA-CQSZACIVSA-N 2 2 334.489 3.028 20 0 EGADLP CCCOc1c(Br)cc(C[N@H+](CC)CC[NH3+])cc1OC ZINC000629652991 460847567 /nfs/dbraw/zinc/84/75/67/460847567.db2.gz DJVDSUCSIZYDNJ-UHFFFAOYSA-N 2 2 345.281 3.027 20 0 EGADLP CCCOc1c(Br)cc(C[N@@H+](CC)CC[NH3+])cc1OC ZINC000629652991 460847573 /nfs/dbraw/zinc/84/75/73/460847573.db2.gz DJVDSUCSIZYDNJ-UHFFFAOYSA-N 2 2 345.281 3.027 20 0 EGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc2ccccc21 ZINC000624086141 460851875 /nfs/dbraw/zinc/85/18/75/460851875.db2.gz YFCGAIGNTDAGIH-UXHICEINSA-N 2 2 339.483 3.220 20 0 EGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc2ccccc21 ZINC000624086141 460851876 /nfs/dbraw/zinc/85/18/76/460851876.db2.gz YFCGAIGNTDAGIH-UXHICEINSA-N 2 2 339.483 3.220 20 0 EGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000629675527 460862932 /nfs/dbraw/zinc/86/29/32/460862932.db2.gz WPQZVKSYYMEQRH-LSDHHAIUSA-N 2 2 332.835 3.485 20 0 EGADLP Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000629675527 460862937 /nfs/dbraw/zinc/86/29/37/460862937.db2.gz WPQZVKSYYMEQRH-LSDHHAIUSA-N 2 2 332.835 3.485 20 0 EGADLP C[NH+](C)Cc1ccc(F)c(-c2ccc(NCC3CCOCC3)[nH+]c2)c1 ZINC000629737166 460896168 /nfs/dbraw/zinc/89/61/68/460896168.db2.gz NNCQMJBREWMNFS-UHFFFAOYSA-N 2 2 343.446 3.210 20 0 EGADLP Cc1cc(NC(=O)C[N@H+](C)C2CCC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000629979449 460985278 /nfs/dbraw/zinc/98/52/78/460985278.db2.gz RDOWGPOUFUULAQ-HNNXBMFYSA-N 2 2 330.476 3.192 20 0 EGADLP Cc1cc(NC(=O)C[N@@H+](C)C2CCC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000629979449 460985282 /nfs/dbraw/zinc/98/52/82/460985282.db2.gz RDOWGPOUFUULAQ-HNNXBMFYSA-N 2 2 330.476 3.192 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ncc1Br ZINC000628190584 461042076 /nfs/dbraw/zinc/04/20/76/461042076.db2.gz KKDIJXOYCFNLQY-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000628190584 461042081 /nfs/dbraw/zinc/04/20/81/461042081.db2.gz KKDIJXOYCFNLQY-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190584 461042087 /nfs/dbraw/zinc/04/20/87/461042087.db2.gz KKDIJXOYCFNLQY-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190584 461042102 /nfs/dbraw/zinc/04/21/02/461042102.db2.gz KKDIJXOYCFNLQY-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190487 461042429 /nfs/dbraw/zinc/04/24/29/461042429.db2.gz HTPZVWQYHLTLLO-MGPQQGTHSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190487 461042435 /nfs/dbraw/zinc/04/24/35/461042435.db2.gz HTPZVWQYHLTLLO-MGPQQGTHSA-N 2 2 348.434 3.450 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000668150128 461135878 /nfs/dbraw/zinc/13/58/78/461135878.db2.gz OONQOIQGVQUSKS-KRWDZBQOSA-N 2 2 337.427 3.067 20 0 EGADLP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(Cl)cc21 ZINC000652353532 461147173 /nfs/dbraw/zinc/14/71/73/461147173.db2.gz OZRKQVPOTYYUTO-LLVKDONJSA-N 2 2 334.851 3.079 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(Cl)cc21 ZINC000652353532 461147180 /nfs/dbraw/zinc/14/71/80/461147180.db2.gz OZRKQVPOTYYUTO-LLVKDONJSA-N 2 2 334.851 3.079 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638170673 461285389 /nfs/dbraw/zinc/28/53/89/461285389.db2.gz HRUZKTCZZDMSGR-QGTPRVQTSA-N 2 2 341.455 3.471 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638170673 461285398 /nfs/dbraw/zinc/28/53/98/461285398.db2.gz HRUZKTCZZDMSGR-QGTPRVQTSA-N 2 2 341.455 3.471 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173338 461285926 /nfs/dbraw/zinc/28/59/26/461285926.db2.gz WGIZKNQLSIWGCV-IUODEOHRSA-N 2 2 335.835 3.334 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173338 461285938 /nfs/dbraw/zinc/28/59/38/461285938.db2.gz WGIZKNQLSIWGCV-IUODEOHRSA-N 2 2 335.835 3.334 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)ccc2n1C1CC1 ZINC000646561991 461332660 /nfs/dbraw/zinc/33/26/60/461332660.db2.gz SCQGYSFIFMRGNM-SFHVURJKSA-N 2 2 348.450 3.038 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCn4ccnc43)CC2)cc1 ZINC000655694378 461367172 /nfs/dbraw/zinc/36/71/72/461367172.db2.gz GCBSVXITPCIFFB-SFHVURJKSA-N 2 2 328.435 3.111 20 0 EGADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC2(CCCC2)O1 ZINC000641798191 461378937 /nfs/dbraw/zinc/37/89/37/461378937.db2.gz MJLYZBWSIPSTSO-IAGOWNOFSA-N 2 2 349.544 3.355 20 0 EGADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCC2(CCCC2)O1 ZINC000641798191 461378940 /nfs/dbraw/zinc/37/89/40/461378940.db2.gz MJLYZBWSIPSTSO-IAGOWNOFSA-N 2 2 349.544 3.355 20 0 EGADLP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000668692736 461385176 /nfs/dbraw/zinc/38/51/76/461385176.db2.gz OEBDPDSLTZRQBY-FPCQFERPSA-N 2 2 336.426 3.054 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000668714599 461392988 /nfs/dbraw/zinc/39/29/88/461392988.db2.gz CJCVRFUBDSQTIU-HNNXBMFYSA-N 2 2 331.287 3.489 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638382558 461400227 /nfs/dbraw/zinc/40/02/27/461400227.db2.gz XHAYOKDCKOVQRW-NSHDSACASA-N 2 2 338.249 3.022 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638382558 461400229 /nfs/dbraw/zinc/40/02/29/461400229.db2.gz XHAYOKDCKOVQRW-NSHDSACASA-N 2 2 338.249 3.022 20 0 EGADLP CC[C@H](CSc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736386 461402998 /nfs/dbraw/zinc/40/29/98/461402998.db2.gz DZHDBYWZTCBSMN-SJLPKXTDSA-N 2 2 334.529 3.400 20 0 EGADLP CCCCCn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)n1 ZINC000655736442 461403581 /nfs/dbraw/zinc/40/35/81/461403581.db2.gz PFHWYLZIAZIPJD-HXUWFJFHSA-N 2 2 348.535 3.115 20 0 EGADLP Fc1cccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655764085 461429158 /nfs/dbraw/zinc/42/91/58/461429158.db2.gz CSGQMVXCTCLMPZ-UXPWSPDFSA-N 2 2 332.463 3.305 20 0 EGADLP Fc1cc(-c2ccco2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655764812 461430524 /nfs/dbraw/zinc/43/05/24/461430524.db2.gz SADXQMAEISTRDJ-SFHVURJKSA-N 2 2 344.430 3.429 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000666063672 461434860 /nfs/dbraw/zinc/43/48/60/461434860.db2.gz VFJQQIORIWHKBS-INIZCTEOSA-N 2 2 340.427 3.480 20 0 EGADLP CCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000666063672 461434870 /nfs/dbraw/zinc/43/48/70/461434870.db2.gz VFJQQIORIWHKBS-INIZCTEOSA-N 2 2 340.427 3.480 20 0 EGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655775303 461437047 /nfs/dbraw/zinc/43/70/47/461437047.db2.gz VRJJKJGXYOBBBJ-FUHWJXTLSA-N 2 2 332.488 3.298 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858630 461459224 /nfs/dbraw/zinc/45/92/24/461459224.db2.gz XMCHNUSNUMGSRI-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858630 461459234 /nfs/dbraw/zinc/45/92/34/461459234.db2.gz XMCHNUSNUMGSRI-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858630 461459240 /nfs/dbraw/zinc/45/92/40/461459240.db2.gz XMCHNUSNUMGSRI-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858630 461459247 /nfs/dbraw/zinc/45/92/47/461459247.db2.gz XMCHNUSNUMGSRI-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000668843956 461465794 /nfs/dbraw/zinc/46/57/94/461465794.db2.gz CMXKBSIOARWWRM-UHFFFAOYSA-N 2 2 327.457 3.241 20 0 EGADLP CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000668843956 461465802 /nfs/dbraw/zinc/46/58/02/461465802.db2.gz CMXKBSIOARWWRM-UHFFFAOYSA-N 2 2 327.457 3.241 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000653081248 461492064 /nfs/dbraw/zinc/49/20/64/461492064.db2.gz IDXGOZWCCPRWLT-LSDHHAIUSA-N 2 2 346.302 3.230 20 0 EGADLP CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653087526 461495711 /nfs/dbraw/zinc/49/57/11/461495711.db2.gz ZNFHIHMMDBYEMF-GFCCVEGCSA-N 2 2 329.897 3.058 20 0 EGADLP Cc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCC(C)CC1 ZINC000653089415 461496785 /nfs/dbraw/zinc/49/67/85/461496785.db2.gz HCTJGFISSZPLMQ-YHZLUUAOSA-N 2 2 345.531 3.258 20 0 EGADLP C[C@@H](Oc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653092747 461498224 /nfs/dbraw/zinc/49/82/24/461498224.db2.gz KEQHEYJOUZHFGB-WBVHZDCISA-N 2 2 341.455 3.044 20 0 EGADLP CO[C@@]1(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)CCOC1 ZINC000638639107 461513428 /nfs/dbraw/zinc/51/34/28/461513428.db2.gz IPVXIEQQNKTEIU-YLJYHZDGSA-N 2 2 332.488 3.045 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000631073184 461523777 /nfs/dbraw/zinc/52/37/77/461523777.db2.gz GIWDBOMTXQDWND-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000631073184 461523783 /nfs/dbraw/zinc/52/37/83/461523783.db2.gz GIWDBOMTXQDWND-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP COc1ccccc1N1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000631084333 461534658 /nfs/dbraw/zinc/53/46/58/461534658.db2.gz ASFIWNOJCRPJTH-UHFFFAOYSA-N 2 2 340.471 3.151 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000647196027 461557097 /nfs/dbraw/zinc/55/70/97/461557097.db2.gz MIXWUJSIGQJYPT-QGZVFWFLSA-N 2 2 341.503 3.249 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000647245366 461584595 /nfs/dbraw/zinc/58/45/95/461584595.db2.gz YNNILILTNFRDLM-CRAIPNDOSA-N 2 2 340.452 3.339 20 0 EGADLP Cc1ccc[nH+]c1CCc1noc(C2C[NH+](C3CCCCC3)C2)n1 ZINC000643120903 461610847 /nfs/dbraw/zinc/61/08/47/461610847.db2.gz NVNWUTBVOOXYET-UHFFFAOYSA-N 2 2 326.444 3.290 20 0 EGADLP c1coc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000643250396 461649376 /nfs/dbraw/zinc/64/93/76/461649376.db2.gz AXSLDKLMSGVRPX-IBGZPJMESA-N 2 2 326.440 3.101 20 0 EGADLP c1coc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000643250396 461649383 /nfs/dbraw/zinc/64/93/83/461649383.db2.gz AXSLDKLMSGVRPX-IBGZPJMESA-N 2 2 326.440 3.101 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)cn21 ZINC000647363542 461658481 /nfs/dbraw/zinc/65/84/81/461658481.db2.gz CNRCCENIUYKZGR-IRXDYDNUSA-N 2 2 337.471 3.235 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc4c(c3)OCCO4)cn21 ZINC000647364686 461659036 /nfs/dbraw/zinc/65/90/36/461659036.db2.gz IQBVAHICTQDLDS-OAHLLOKOSA-N 2 2 337.423 3.307 20 0 EGADLP C[C@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000669420378 461669499 /nfs/dbraw/zinc/66/94/99/461669499.db2.gz KXIFAUBECZQTTP-BHYGNILZSA-N 2 2 342.512 3.499 20 0 EGADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)c(C)c2c1 ZINC000660265374 461674110 /nfs/dbraw/zinc/67/41/10/461674110.db2.gz GRONMJIWCLUZAU-CABCVRRESA-N 2 2 334.460 3.102 20 0 EGADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c(C)c2c1 ZINC000660265374 461674115 /nfs/dbraw/zinc/67/41/15/461674115.db2.gz GRONMJIWCLUZAU-CABCVRRESA-N 2 2 334.460 3.102 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000663511230 461681118 /nfs/dbraw/zinc/68/11/18/461681118.db2.gz WKABSUPYFKOHQV-QMMMGPOBSA-N 2 2 325.172 3.165 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000656262223 461686424 /nfs/dbraw/zinc/68/64/24/461686424.db2.gz RGPBUJOVXADDRV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000656262223 461686428 /nfs/dbraw/zinc/68/64/28/461686428.db2.gz RGPBUJOVXADDRV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000656262223 461686433 /nfs/dbraw/zinc/68/64/33/461686433.db2.gz RGPBUJOVXADDRV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000656262223 461686438 /nfs/dbraw/zinc/68/64/38/461686438.db2.gz RGPBUJOVXADDRV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000653539302 461709134 /nfs/dbraw/zinc/70/91/34/461709134.db2.gz ZIUULHMLNLSQFP-QGZVFWFLSA-N 2 2 337.826 3.219 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000653539302 461709145 /nfs/dbraw/zinc/70/91/45/461709145.db2.gz ZIUULHMLNLSQFP-QGZVFWFLSA-N 2 2 337.826 3.219 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CCO1 ZINC000639078642 461712831 /nfs/dbraw/zinc/71/28/31/461712831.db2.gz GJZNWMPWLJGBHM-BZZMCLGOSA-N 2 2 347.503 3.356 20 0 EGADLP CCC1(O)CCC([NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000643474192 461740731 /nfs/dbraw/zinc/74/07/31/461740731.db2.gz NBEXPALQOPMMAY-BUGOSIMFSA-N 2 2 332.488 3.162 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480206 461741591 /nfs/dbraw/zinc/74/15/91/461741591.db2.gz FTOPEMDQMNLFQY-KTIPNOMGSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480206 461741599 /nfs/dbraw/zinc/74/15/99/461741599.db2.gz FTOPEMDQMNLFQY-KTIPNOMGSA-N 3 2 327.516 3.017 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]CCN3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123480 461742456 /nfs/dbraw/zinc/74/24/56/461742456.db2.gz LGYTWCSXAIPDLV-CTNGQTDRSA-N 2 2 325.500 3.206 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]CCN3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123480 461742466 /nfs/dbraw/zinc/74/24/66/461742466.db2.gz LGYTWCSXAIPDLV-CTNGQTDRSA-N 2 2 325.500 3.206 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653592319 461747460 /nfs/dbraw/zinc/74/74/60/461747460.db2.gz UPKSGSAGNZCCNR-NEPJUHHUSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653592319 461747467 /nfs/dbraw/zinc/74/74/67/461747467.db2.gz UPKSGSAGNZCCNR-NEPJUHHUSA-N 2 2 329.429 3.082 20 0 EGADLP Brc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)[C@H]2CCCO2)cc1 ZINC000643507165 461748418 /nfs/dbraw/zinc/74/84/18/461748418.db2.gz UVHFRCVNTYJVKV-CVEARBPZSA-N 2 2 339.277 3.011 20 0 EGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506851 461749466 /nfs/dbraw/zinc/74/94/66/461749466.db2.gz KEBZASXGSWDILJ-FQEVSTJZSA-N 2 2 328.431 3.460 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643515248 461750772 /nfs/dbraw/zinc/75/07/72/461750772.db2.gz QSDHLJDGUIOXMO-JKSUJKDBSA-N 2 2 341.293 3.258 20 0 EGADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)s2)cc1 ZINC000643537840 461759409 /nfs/dbraw/zinc/75/94/09/461759409.db2.gz RVJZRLYGLAHXOI-UGFHNGPFSA-N 2 2 349.475 3.478 20 0 EGADLP COc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1Cl ZINC000647609414 461772120 /nfs/dbraw/zinc/77/21/20/461772120.db2.gz ZXMCZZJCOVNKBX-UHFFFAOYSA-N 2 2 337.876 3.395 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@]2(OC)CCOC2)CC1 ZINC000639175072 461780718 /nfs/dbraw/zinc/78/07/18/461780718.db2.gz HTUYQLBXNFPFPF-FQEVSTJZSA-N 2 2 343.471 3.041 20 0 EGADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Br ZINC000666768506 461795672 /nfs/dbraw/zinc/79/56/72/461795672.db2.gz HTMDFZFLRGJOCZ-NSHDSACASA-N 2 2 349.219 3.282 20 0 EGADLP CC(C)n1c[nH+]cc1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000643764825 461797902 /nfs/dbraw/zinc/79/79/02/461797902.db2.gz FYCIAWLCJNZCBU-UHFFFAOYSA-N 2 2 328.460 3.033 20 0 EGADLP Fc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660478173 461802561 /nfs/dbraw/zinc/80/25/61/461802561.db2.gz KMVQPJOMRUMFMA-HNNXBMFYSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660478173 461802568 /nfs/dbraw/zinc/80/25/68/461802568.db2.gz KMVQPJOMRUMFMA-HNNXBMFYSA-N 2 2 326.843 3.166 20 0 EGADLP c1cn(CCc2ccccc2)c(CNc2nc(N3CCCC3)cc[nH+]2)[nH+]1 ZINC000669823695 461805459 /nfs/dbraw/zinc/80/54/59/461805459.db2.gz RFOGLFNLHOKMNC-UHFFFAOYSA-N 2 2 348.454 3.128 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883438 461825922 /nfs/dbraw/zinc/82/59/22/461825922.db2.gz QCVBISLMWASRSV-SIXLDLHFSA-N 2 2 344.421 3.359 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883438 461825926 /nfs/dbraw/zinc/82/59/26/461825926.db2.gz QCVBISLMWASRSV-SIXLDLHFSA-N 2 2 344.421 3.359 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831654 461828335 /nfs/dbraw/zinc/82/83/35/461828335.db2.gz UHJBFIOZUVGGGO-QAPCUYQASA-N 2 2 341.455 3.155 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831654 461828340 /nfs/dbraw/zinc/82/83/40/461828340.db2.gz UHJBFIOZUVGGGO-QAPCUYQASA-N 2 2 341.455 3.155 20 0 EGADLP C[N@H+](Cc1cc(F)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660540721 461843214 /nfs/dbraw/zinc/84/32/14/461843214.db2.gz FKLNXVSCQNMYPF-YIONKMFJSA-N 2 2 328.378 3.484 20 0 EGADLP C[N@@H+](Cc1cc(F)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660540721 461843218 /nfs/dbraw/zinc/84/32/18/461843218.db2.gz FKLNXVSCQNMYPF-YIONKMFJSA-N 2 2 328.378 3.484 20 0 EGADLP C[NH+](Cc1cc(F)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660540721 461843221 /nfs/dbraw/zinc/84/32/21/461843221.db2.gz FKLNXVSCQNMYPF-YIONKMFJSA-N 2 2 328.378 3.484 20 0 EGADLP C[NH+](Cc1cc(F)ccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000660540721 461843226 /nfs/dbraw/zinc/84/32/26/461843226.db2.gz FKLNXVSCQNMYPF-YIONKMFJSA-N 2 2 328.378 3.484 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000656695478 461846296 /nfs/dbraw/zinc/84/62/96/461846296.db2.gz LSDAQLAEWQOGDR-IBGZPJMESA-N 2 2 348.531 3.354 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000656695478 461846299 /nfs/dbraw/zinc/84/62/99/461846299.db2.gz LSDAQLAEWQOGDR-IBGZPJMESA-N 2 2 348.531 3.354 20 0 EGADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc(Cl)c1Cl ZINC000647814663 461849390 /nfs/dbraw/zinc/84/93/90/461849390.db2.gz YOEBMMPUJXOROK-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc(Cl)c1Cl ZINC000647814663 461849397 /nfs/dbraw/zinc/84/93/97/461849397.db2.gz YOEBMMPUJXOROK-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP c1ccc(COc2cncc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2)cc1 ZINC000647815522 461849575 /nfs/dbraw/zinc/84/95/75/461849575.db2.gz XLDHWAXQOAOGMA-UHFFFAOYSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cncc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2)cc1 ZINC000647815522 461849584 /nfs/dbraw/zinc/84/95/84/461849584.db2.gz XLDHWAXQOAOGMA-UHFFFAOYSA-N 2 2 337.467 3.377 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879868 461868952 /nfs/dbraw/zinc/86/89/52/461868952.db2.gz PYGGYPWQWFYNJO-IAQYHMDHSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879868 461868959 /nfs/dbraw/zinc/86/89/59/461868959.db2.gz PYGGYPWQWFYNJO-IAQYHMDHSA-N 2 2 342.270 3.006 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946548 461883078 /nfs/dbraw/zinc/88/30/78/461883078.db2.gz IRRWOAAPQHJYNF-ROUUACIJSA-N 2 2 344.478 3.019 20 0 EGADLP Cc1cccc2[nH]c(CNc3ccc(N4CC[NH+](C)CC4)c[nH+]3)cc21 ZINC000656770337 461883875 /nfs/dbraw/zinc/88/38/75/461883875.db2.gz VVIWUDGRQZMPAU-UHFFFAOYSA-N 2 2 335.455 3.235 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621368 461883927 /nfs/dbraw/zinc/88/39/27/461883927.db2.gz MJBXPSXNHYDBLV-RDJZCZTQSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621368 461883935 /nfs/dbraw/zinc/88/39/35/461883935.db2.gz MJBXPSXNHYDBLV-RDJZCZTQSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621368 461883941 /nfs/dbraw/zinc/88/39/41/461883941.db2.gz MJBXPSXNHYDBLV-RDJZCZTQSA-N 2 2 342.936 3.208 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000660621368 461883953 /nfs/dbraw/zinc/88/39/53/461883953.db2.gz MJBXPSXNHYDBLV-RDJZCZTQSA-N 2 2 342.936 3.208 20 0 EGADLP Cn1c2ccc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)cc2sc1=O ZINC000639374152 461891837 /nfs/dbraw/zinc/89/18/37/461891837.db2.gz BUQYJFHVPQEITB-UHFFFAOYSA-N 2 2 345.512 3.050 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2nn(C)c3ccccc32)CC1 ZINC000639376433 461895259 /nfs/dbraw/zinc/89/52/59/461895259.db2.gz IZAZKUUSSNPEQK-UHFFFAOYSA-N 2 2 326.488 3.414 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647938756 461895777 /nfs/dbraw/zinc/89/57/77/461895777.db2.gz UEJMOLQWOIUITG-WOSRLPQWSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647938756 461895782 /nfs/dbraw/zinc/89/57/82/461895782.db2.gz UEJMOLQWOIUITG-WOSRLPQWSA-N 2 2 332.423 3.304 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996731 461904358 /nfs/dbraw/zinc/90/43/58/461904358.db2.gz BXDQGDVFVSDGIJ-CYBMUJFWSA-N 2 2 339.277 3.222 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000650715480 461906205 /nfs/dbraw/zinc/90/62/05/461906205.db2.gz BPGNEHDHDJQMRO-OAHLLOKOSA-N 2 2 327.394 3.030 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956913 461908623 /nfs/dbraw/zinc/90/86/23/461908623.db2.gz QNTYCEBGSYJPQG-HOCLYGCPSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956913 461908626 /nfs/dbraw/zinc/90/86/26/461908626.db2.gz QNTYCEBGSYJPQG-HOCLYGCPSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956913 461908628 /nfs/dbraw/zinc/90/86/28/461908628.db2.gz QNTYCEBGSYJPQG-HOCLYGCPSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956913 461908633 /nfs/dbraw/zinc/90/86/33/461908633.db2.gz QNTYCEBGSYJPQG-HOCLYGCPSA-N 2 2 333.501 3.134 20 0 EGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650717905 461909571 /nfs/dbraw/zinc/90/95/71/461909571.db2.gz QJNKVRFPNOHMFE-MGPUTAFESA-N 3 2 333.495 3.417 20 0 EGADLP C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457672 461933538 /nfs/dbraw/zinc/93/35/38/461933538.db2.gz VWXSXRWXPHKOMR-DOPJRALCSA-N 2 2 334.423 3.102 20 0 EGADLP C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457672 461933545 /nfs/dbraw/zinc/93/35/45/461933545.db2.gz VWXSXRWXPHKOMR-DOPJRALCSA-N 2 2 334.423 3.102 20 0 EGADLP COCC1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000644407084 461949306 /nfs/dbraw/zinc/94/93/06/461949306.db2.gz RGDUWJLZCMZIJW-IBGZPJMESA-N 2 2 346.515 3.072 20 0 EGADLP COCC1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000644407084 461949312 /nfs/dbraw/zinc/94/93/12/461949312.db2.gz RGDUWJLZCMZIJW-IBGZPJMESA-N 2 2 346.515 3.072 20 0 EGADLP CC[C@@H](O)C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000644528673 461971204 /nfs/dbraw/zinc/97/12/04/461971204.db2.gz LSSOIQCZZURNHH-CVEARBPZSA-N 2 2 332.410 3.449 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644623563 462015167 /nfs/dbraw/zinc/01/51/67/462015167.db2.gz CVIMRYDFWPHHFL-GOSISDBHSA-N 2 2 338.451 3.324 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644623563 462015171 /nfs/dbraw/zinc/01/51/71/462015171.db2.gz CVIMRYDFWPHHFL-GOSISDBHSA-N 2 2 338.451 3.324 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657294743 462022846 /nfs/dbraw/zinc/02/28/46/462022846.db2.gz DRGLMPPTPNCMQO-BETUJISGSA-N 2 2 346.393 3.016 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657294743 462022853 /nfs/dbraw/zinc/02/28/53/462022853.db2.gz DRGLMPPTPNCMQO-BETUJISGSA-N 2 2 346.393 3.016 20 0 EGADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)CC1 ZINC000657299369 462028606 /nfs/dbraw/zinc/02/86/06/462028606.db2.gz VRQDXNUQNKDLDD-UHFFFAOYSA-N 3 2 338.499 3.351 20 0 EGADLP CCCCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657311132 462037108 /nfs/dbraw/zinc/03/71/08/462037108.db2.gz TXQUVGLGBHKMSP-UHFFFAOYSA-N 2 2 329.444 3.307 20 0 EGADLP CCCn1nccc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000657313773 462037927 /nfs/dbraw/zinc/03/79/27/462037927.db2.gz ONTZWULLRMZKGN-UHFFFAOYSA-N 2 2 326.488 3.356 20 0 EGADLP FC(F)(F)COc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657324515 462046989 /nfs/dbraw/zinc/04/69/89/462046989.db2.gz UDHWTOXYDKTIAI-UHFFFAOYSA-N 2 2 325.334 3.060 20 0 EGADLP COCCSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657352681 462065640 /nfs/dbraw/zinc/06/56/40/462065640.db2.gz KXMMYXOLOXQARW-AWEZNQCLSA-N 2 2 331.485 3.419 20 0 EGADLP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657366032 462075214 /nfs/dbraw/zinc/07/52/14/462075214.db2.gz JXNONPDVZVYAGI-MRXNPFEDSA-N 2 2 328.435 3.035 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648409893 462105217 /nfs/dbraw/zinc/10/52/17/462105217.db2.gz ICKMSXSASNORNH-BETUJISGSA-N 2 2 337.851 3.070 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648409893 462105221 /nfs/dbraw/zinc/10/52/21/462105221.db2.gz ICKMSXSASNORNH-BETUJISGSA-N 2 2 337.851 3.070 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414569 462107392 /nfs/dbraw/zinc/10/73/92/462107392.db2.gz BSUWQIZXWVSUQN-MJGOQNOKSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414569 462107396 /nfs/dbraw/zinc/10/73/96/462107396.db2.gz BSUWQIZXWVSUQN-MJGOQNOKSA-N 3 2 338.499 3.220 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000667563721 462146162 /nfs/dbraw/zinc/14/61/62/462146162.db2.gz OIMPIXGIGFMSQY-MRXNPFEDSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@@H](CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)n1cc[nH+]c1 ZINC000651238096 462150694 /nfs/dbraw/zinc/15/06/94/462150694.db2.gz DDLVMTLXVSKOBW-PKOBYXMFSA-N 2 2 340.471 3.178 20 0 EGADLP C[C@@H](CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)n1cc[nH+]c1 ZINC000651238093 462151246 /nfs/dbraw/zinc/15/12/46/462151246.db2.gz DDLVMTLXVSKOBW-HKUYNNGSSA-N 2 2 340.471 3.178 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000645036828 462165903 /nfs/dbraw/zinc/16/59/03/462165903.db2.gz XRWHJGWKPQWIFN-INIZCTEOSA-N 2 2 325.456 3.474 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000657537487 462171779 /nfs/dbraw/zinc/17/17/79/462171779.db2.gz MQDMHUPDLZMSIV-BZUAXINKSA-N 2 2 333.907 3.381 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000657537487 462171782 /nfs/dbraw/zinc/17/17/82/462171782.db2.gz MQDMHUPDLZMSIV-BZUAXINKSA-N 2 2 333.907 3.381 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000645124767 462191251 /nfs/dbraw/zinc/19/12/51/462191251.db2.gz BTVODXOXPUNTCC-UHFFFAOYSA-N 2 2 325.456 3.092 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661383450 462225374 /nfs/dbraw/zinc/22/53/74/462225374.db2.gz CYUQKHWIQUURNB-UHFFFAOYSA-N 2 2 339.270 3.321 20 0 EGADLP Clc1ccc(Cl)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750226 462249675 /nfs/dbraw/zinc/24/96/75/462249675.db2.gz DSBWIINBFVXSAM-OAHLLOKOSA-N 2 2 329.271 3.336 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000657752256 462251823 /nfs/dbraw/zinc/25/18/23/462251823.db2.gz OHZKMNBCQUKLDF-CQSZACIVSA-N 2 2 326.843 3.130 20 0 EGADLP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000657772788 462259053 /nfs/dbraw/zinc/25/90/53/462259053.db2.gz IIOYQFTYFXLUEG-HUBLWGQQSA-N 2 2 329.271 3.243 20 0 EGADLP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000657772788 462259057 /nfs/dbraw/zinc/25/90/57/462259057.db2.gz IIOYQFTYFXLUEG-HUBLWGQQSA-N 2 2 329.271 3.243 20 0 EGADLP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242725 462366471 /nfs/dbraw/zinc/36/64/71/462366471.db2.gz ILVDCVDPIXLUIG-NURSFMCSSA-N 2 2 327.291 3.184 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cn1 ZINC000665253383 462370024 /nfs/dbraw/zinc/37/00/24/462370024.db2.gz PGRNHVRTPDKMAN-GDIGMMSISA-N 2 2 330.451 3.399 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000665257394 462373136 /nfs/dbraw/zinc/37/31/36/462373136.db2.gz HYTFCGZFJKKDMI-GDIGMMSISA-N 2 2 330.451 3.399 20 0 EGADLP CC[C@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)[C@H]1CCCC[NH2+]1 ZINC000665261387 462374397 /nfs/dbraw/zinc/37/43/97/462374397.db2.gz AVUPDLYUYITYCK-ZWKOTPCHSA-N 2 2 329.444 3.361 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089596 462378148 /nfs/dbraw/zinc/37/81/48/462378148.db2.gz ABWVUHPRLKHXPO-SJORKVTESA-N 2 2 334.504 3.487 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089596 462378153 /nfs/dbraw/zinc/37/81/53/462378153.db2.gz ABWVUHPRLKHXPO-SJORKVTESA-N 2 2 334.504 3.487 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000658186594 462423397 /nfs/dbraw/zinc/42/33/97/462423397.db2.gz IBPNRNMZZTVXRN-KBXCAEBGSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@@H](C)C1 ZINC000658186594 462423403 /nfs/dbraw/zinc/42/34/03/462423403.db2.gz IBPNRNMZZTVXRN-KBXCAEBGSA-N 2 2 329.444 3.170 20 0 EGADLP COc1ccc(-c2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)on2)cc1 ZINC000658188272 462424565 /nfs/dbraw/zinc/42/45/65/462424565.db2.gz PTHYNBPTFCALHU-UHFFFAOYSA-N 2 2 341.455 3.314 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000658243224 462441224 /nfs/dbraw/zinc/44/12/24/462441224.db2.gz YRQVSAXRLYEVNH-MSOLQXFVSA-N 2 2 331.504 3.138 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652139737 462447772 /nfs/dbraw/zinc/44/77/72/462447772.db2.gz SUSMEORWOFDYSR-DZGCQCFKSA-N 2 2 333.432 3.038 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000652151160 462452265 /nfs/dbraw/zinc/45/22/65/462452265.db2.gz KRCOKSYGOHIQGN-OXQOHEQNSA-N 2 2 325.456 3.111 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652151160 462452269 /nfs/dbraw/zinc/45/22/69/462452269.db2.gz KRCOKSYGOHIQGN-OXQOHEQNSA-N 2 2 325.456 3.111 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000652154929 462455070 /nfs/dbraw/zinc/45/50/70/462455070.db2.gz RXRGBIXNXFZSHT-KNBMTAEXSA-N 2 2 325.456 3.252 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000652154929 462455074 /nfs/dbraw/zinc/45/50/74/462455074.db2.gz RXRGBIXNXFZSHT-KNBMTAEXSA-N 2 2 325.456 3.252 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000658297085 462462795 /nfs/dbraw/zinc/46/27/95/462462795.db2.gz YAAHQIANJBIDNU-SXLOBPIMSA-N 2 2 344.499 3.075 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCS2 ZINC000658296621 462463037 /nfs/dbraw/zinc/46/30/37/462463037.db2.gz UNRSBZQKOYHYNT-CRAIPNDOSA-N 2 2 348.512 3.075 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658312257 462472544 /nfs/dbraw/zinc/47/25/44/462472544.db2.gz SCZGJDYDSZSMGN-OXQOHEQNSA-N 2 2 343.471 3.091 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC(C)([NH3+])CC3)cs2)c(OC)c1 ZINC000649416090 462503001 /nfs/dbraw/zinc/50/30/01/462503001.db2.gz NOQHNUMRAJNFEE-UHFFFAOYSA-N 2 2 347.484 3.141 20 0 EGADLP CCc1cc(NCc2ccc(OCC[NH+](CC)CC)cc2)nc[nH+]1 ZINC000603381731 479364862 /nfs/dbraw/zinc/36/48/62/479364862.db2.gz JRKUPSVOYRUASQ-UHFFFAOYSA-N 2 2 328.460 3.372 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@@H+]1C ZINC000164322849 533960018 /nfs/dbraw/zinc/96/00/18/533960018.db2.gz GFQZEYBPIYHNRE-IEBWSBKVSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@H+]1C ZINC000164322849 533960025 /nfs/dbraw/zinc/96/00/25/533960025.db2.gz GFQZEYBPIYHNRE-IEBWSBKVSA-N 2 2 326.488 3.088 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935078 536465168 /nfs/dbraw/zinc/46/51/68/536465168.db2.gz XYMWBUIUFPPYLI-QAPCUYQASA-N 2 2 330.863 3.052 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935078 536465171 /nfs/dbraw/zinc/46/51/71/536465171.db2.gz XYMWBUIUFPPYLI-QAPCUYQASA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935078 536465173 /nfs/dbraw/zinc/46/51/73/536465173.db2.gz XYMWBUIUFPPYLI-QAPCUYQASA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935078 536465176 /nfs/dbraw/zinc/46/51/76/536465176.db2.gz XYMWBUIUFPPYLI-QAPCUYQASA-N 2 2 330.863 3.052 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968975 527800136 /nfs/dbraw/zinc/80/01/36/527800136.db2.gz YHYVEJUPXMVAEM-WIYYLYMNSA-N 3 2 329.532 3.013 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968975 527800140 /nfs/dbraw/zinc/80/01/40/527800140.db2.gz YHYVEJUPXMVAEM-WIYYLYMNSA-N 3 2 329.532 3.013 20 0 EGADLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000174544023 527834604 /nfs/dbraw/zinc/83/46/04/527834604.db2.gz YCAAQAFNAIQLES-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000174544023 527834610 /nfs/dbraw/zinc/83/46/10/527834610.db2.gz YCAAQAFNAIQLES-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP CC[N@H+](CCO[C@H]1CCCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181726468 528571680 /nfs/dbraw/zinc/57/16/80/528571680.db2.gz SZUAJCNKVPCDGT-FQEVSTJZSA-N 2 2 347.503 3.163 20 0 EGADLP CC[N@@H+](CCO[C@H]1CCCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181726468 528571685 /nfs/dbraw/zinc/57/16/85/528571685.db2.gz SZUAJCNKVPCDGT-FQEVSTJZSA-N 2 2 347.503 3.163 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000191499704 528867022 /nfs/dbraw/zinc/86/70/22/528867022.db2.gz DXWQCWQJTXFQIM-GOSISDBHSA-N 2 2 329.444 3.072 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000191499704 528867026 /nfs/dbraw/zinc/86/70/26/528867026.db2.gz DXWQCWQJTXFQIM-GOSISDBHSA-N 2 2 329.444 3.072 20 0 EGADLP CC[NH+](CC)CCOc1ccc(CNc2cc[nH+]c(C)n2)cc1OC ZINC000266417038 535553581 /nfs/dbraw/zinc/55/35/81/535553581.db2.gz RKMUHGRRIYLGNA-UHFFFAOYSA-N 2 2 344.459 3.126 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000356284456 535831129 /nfs/dbraw/zinc/83/11/29/535831129.db2.gz PMWKUDRUAJKBRR-LPHOPBHVSA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000356284456 535831132 /nfs/dbraw/zinc/83/11/32/535831132.db2.gz PMWKUDRUAJKBRR-LPHOPBHVSA-N 2 2 326.488 3.125 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)sc2c1 ZINC000187181267 537052954 /nfs/dbraw/zinc/05/29/54/537052954.db2.gz MEHWOHKNIWCTMN-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)sc2c1 ZINC000187181267 537052956 /nfs/dbraw/zinc/05/29/56/537052956.db2.gz MEHWOHKNIWCTMN-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)sc2c1 ZINC000187181267 537052960 /nfs/dbraw/zinc/05/29/60/537052960.db2.gz MEHWOHKNIWCTMN-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)sc2c1 ZINC000187181267 537052963 /nfs/dbraw/zinc/05/29/63/537052963.db2.gz MEHWOHKNIWCTMN-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000151524930 546855983 /nfs/dbraw/zinc/85/59/83/546855983.db2.gz SGZHEPKHLXKKJY-IERDGZPVSA-N 2 2 337.467 3.255 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000151524930 546855987 /nfs/dbraw/zinc/85/59/87/546855987.db2.gz SGZHEPKHLXKKJY-IERDGZPVSA-N 2 2 337.467 3.255 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000162247663 546963896 /nfs/dbraw/zinc/96/38/96/546963896.db2.gz WMUUJCDBYSALDQ-BSEYFRJRSA-N 2 2 341.480 3.433 20 0 EGADLP CCc1nn(C)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180064512 547051941 /nfs/dbraw/zinc/05/19/41/547051941.db2.gz BEGNCWFQQSNSJY-UHFFFAOYSA-N 2 2 326.488 3.079 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180064512 547051947 /nfs/dbraw/zinc/05/19/47/547051947.db2.gz BEGNCWFQQSNSJY-UHFFFAOYSA-N 2 2 326.488 3.079 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2C)cc1 ZINC000180143027 547052970 /nfs/dbraw/zinc/05/29/70/547052970.db2.gz DXFXTFJOYASUBM-HNNXBMFYSA-N 2 2 330.476 3.290 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000261552307 547324320 /nfs/dbraw/zinc/32/43/20/547324320.db2.gz RBAMJEGTTXHDRU-UHFFFAOYSA-N 2 2 336.439 3.466 20 0 EGADLP CCc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310900692 547461987 /nfs/dbraw/zinc/46/19/87/547461987.db2.gz PBVMQUJXQKOSHN-RBUKOAKNSA-N 2 2 336.483 3.306 20 0 EGADLP CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310900692 547461989 /nfs/dbraw/zinc/46/19/89/547461989.db2.gz PBVMQUJXQKOSHN-RBUKOAKNSA-N 2 2 336.483 3.306 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344373002 547610159 /nfs/dbraw/zinc/61/01/59/547610159.db2.gz KMGCQZSPNJJLPV-ZBEGNZNMSA-N 2 2 336.277 3.013 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344373002 547610165 /nfs/dbraw/zinc/61/01/65/547610165.db2.gz KMGCQZSPNJJLPV-ZBEGNZNMSA-N 2 2 336.277 3.013 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1O ZINC000390552349 547827974 /nfs/dbraw/zinc/82/79/74/547827974.db2.gz DLQCBFIVDXQNGV-MRXNPFEDSA-N 2 2 328.456 3.401 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1O ZINC000390552349 547827976 /nfs/dbraw/zinc/82/79/76/547827976.db2.gz DLQCBFIVDXQNGV-MRXNPFEDSA-N 2 2 328.456 3.401 20 0 EGADLP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]c(C(C)(C)C)n2)cc1 ZINC000674065447 548683159 /nfs/dbraw/zinc/68/31/59/548683159.db2.gz GRUYUQZZLJCDAO-UHFFFAOYSA-N 2 2 342.487 3.369 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000675926110 549006018 /nfs/dbraw/zinc/00/60/18/549006018.db2.gz KFUYQWKEITYHIN-DOTOQJQBSA-N 2 2 344.528 3.352 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000675926110 549006022 /nfs/dbraw/zinc/00/60/22/549006022.db2.gz KFUYQWKEITYHIN-DOTOQJQBSA-N 2 2 344.528 3.352 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000676643478 549121505 /nfs/dbraw/zinc/12/15/05/549121505.db2.gz LBPYTQYZYOXMRN-OAHLLOKOSA-N 2 2 335.455 3.273 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H](C4CC4)C3)CC2)cc1 ZINC000677028475 549194923 /nfs/dbraw/zinc/19/49/23/549194923.db2.gz LKJGRSIYIWEUSZ-HXUWFJFHSA-N 2 2 327.516 3.321 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H](C4CC4)C3)CC2)cc1 ZINC000677028475 549194926 /nfs/dbraw/zinc/19/49/26/549194926.db2.gz LKJGRSIYIWEUSZ-HXUWFJFHSA-N 2 2 327.516 3.321 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217386 549427419 /nfs/dbraw/zinc/42/74/19/549427419.db2.gz TXGGASWUGNDGNW-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217386 549427420 /nfs/dbraw/zinc/42/74/20/549427420.db2.gz TXGGASWUGNDGNW-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217386 549427422 /nfs/dbraw/zinc/42/74/22/549427422.db2.gz TXGGASWUGNDGNW-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217386 549427424 /nfs/dbraw/zinc/42/74/24/549427424.db2.gz TXGGASWUGNDGNW-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000678235477 549436601 /nfs/dbraw/zinc/43/66/01/549436601.db2.gz UMRNGBHZCHIDNF-ZDUSSCGKSA-N 2 2 325.334 3.461 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000678235477 549436606 /nfs/dbraw/zinc/43/66/06/549436606.db2.gz UMRNGBHZCHIDNF-ZDUSSCGKSA-N 2 2 325.334 3.461 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n21 ZINC000678278999 549457086 /nfs/dbraw/zinc/45/70/86/549457086.db2.gz JVUNOPYDFIQAGZ-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n21 ZINC000678278999 549457089 /nfs/dbraw/zinc/45/70/89/549457089.db2.gz JVUNOPYDFIQAGZ-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000678999957 549613383 /nfs/dbraw/zinc/61/33/83/549613383.db2.gz HAGQFQMSGLMWOR-GOSISDBHSA-N 3 2 344.547 3.279 20 0 EGADLP CC[C@@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C1CC1 ZINC000679143571 549643904 /nfs/dbraw/zinc/64/39/04/549643904.db2.gz KEUJYCXYHYHGJN-MRXNPFEDSA-N 2 2 328.460 3.038 20 0 EGADLP C[C@@H](CC1CCC1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000679143810 549644153 /nfs/dbraw/zinc/64/41/53/549644153.db2.gz LDWCJHWVVNEZSA-HNNXBMFYSA-N 2 2 342.487 3.428 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H](C)CCCCO)[NH+]2CCCCC2)cc1 ZINC000679329112 549688889 /nfs/dbraw/zinc/68/88/89/549688889.db2.gz ZUKSURNOPFAFFR-XLIONFOSSA-N 2 2 334.504 3.363 20 0 EGADLP CCCCOc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000681080677 549951403 /nfs/dbraw/zinc/95/14/03/549951403.db2.gz HJJVCCNMNDBGRC-FQEVSTJZSA-N 2 2 345.531 3.077 20 0 EGADLP CCCCOc1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000681080677 549951406 /nfs/dbraw/zinc/95/14/06/549951406.db2.gz HJJVCCNMNDBGRC-FQEVSTJZSA-N 2 2 345.531 3.077 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000681698861 550028049 /nfs/dbraw/zinc/02/80/49/550028049.db2.gz LAGSAZXHJNTBCN-HOCLYGCPSA-N 2 2 329.444 3.174 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000682780884 550144175 /nfs/dbraw/zinc/14/41/75/550144175.db2.gz OYQORGBVKLYGFI-GUDVDZBRSA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000682780884 550144177 /nfs/dbraw/zinc/14/41/77/550144177.db2.gz OYQORGBVKLYGFI-GUDVDZBRSA-N 2 2 325.456 3.373 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(Cl)ccc3cccnc32)CCCO1 ZINC000683344028 550220662 /nfs/dbraw/zinc/22/06/62/550220662.db2.gz IKDLTDSGJKICRK-OAHLLOKOSA-N 2 2 347.890 3.479 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(Cl)ccc3cccnc32)CCCO1 ZINC000683344028 550220663 /nfs/dbraw/zinc/22/06/63/550220663.db2.gz IKDLTDSGJKICRK-OAHLLOKOSA-N 2 2 347.890 3.479 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000684358311 550318520 /nfs/dbraw/zinc/31/85/20/550318520.db2.gz KNDSPZHNDVRJQR-KRWDZBQOSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000684358311 550318523 /nfs/dbraw/zinc/31/85/23/550318523.db2.gz KNDSPZHNDVRJQR-KRWDZBQOSA-N 2 2 325.391 3.045 20 0 EGADLP C[C@@H](c1nccs1)[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684583590 550345890 /nfs/dbraw/zinc/34/58/90/550345890.db2.gz WQNUSUYUUJKBDA-ZDUSSCGKSA-N 2 2 340.452 3.280 20 0 EGADLP CCN(CC)C(=O)C1([NH2+]CCCc2c[nH+]ccc2C)CCCCC1 ZINC000685421135 550415215 /nfs/dbraw/zinc/41/52/15/550415215.db2.gz ONSOAAXEZRNBIC-UHFFFAOYSA-N 2 2 331.504 3.484 20 0 EGADLP Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000685448075 550417692 /nfs/dbraw/zinc/41/76/92/550417692.db2.gz LXPBHABTCICPTJ-SFHVURJKSA-N 2 2 344.459 3.046 20 0 EGADLP Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000685448075 550417694 /nfs/dbraw/zinc/41/76/94/550417694.db2.gz LXPBHABTCICPTJ-SFHVURJKSA-N 2 2 344.459 3.046 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470394 550421049 /nfs/dbraw/zinc/42/10/49/550421049.db2.gz LJCVQAGQYJHYBI-DNVCBOLYSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470394 550421051 /nfs/dbraw/zinc/42/10/51/550421051.db2.gz LJCVQAGQYJHYBI-DNVCBOLYSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470394 550421052 /nfs/dbraw/zinc/42/10/52/550421052.db2.gz LJCVQAGQYJHYBI-DNVCBOLYSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470394 550421055 /nfs/dbraw/zinc/42/10/55/550421055.db2.gz LJCVQAGQYJHYBI-DNVCBOLYSA-N 2 2 346.906 3.357 20 0 EGADLP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2O1 ZINC000738430819 574665855 /nfs/dbraw/zinc/66/58/55/574665855.db2.gz QKTFXKGZJPLTHH-IBGZPJMESA-N 2 2 344.499 3.133 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000729682190 574878573 /nfs/dbraw/zinc/87/85/73/574878573.db2.gz PDDAOYDYZKEOTH-MRXNPFEDSA-N 2 2 338.480 3.395 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000729682190 574878576 /nfs/dbraw/zinc/87/85/76/574878576.db2.gz PDDAOYDYZKEOTH-MRXNPFEDSA-N 2 2 338.480 3.395 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000729921030 574896083 /nfs/dbraw/zinc/89/60/83/574896083.db2.gz SCIOIKNXRJLNNM-QGZVFWFLSA-N 2 2 348.491 3.167 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000729921030 574896084 /nfs/dbraw/zinc/89/60/84/574896084.db2.gz SCIOIKNXRJLNNM-QGZVFWFLSA-N 2 2 348.491 3.167 20 0 EGADLP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000730080035 574921554 /nfs/dbraw/zinc/92/15/54/574921554.db2.gz FTAPTDVTMBCMDU-INIZCTEOSA-N 2 2 330.394 3.155 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000730080035 574921558 /nfs/dbraw/zinc/92/15/58/574921558.db2.gz FTAPTDVTMBCMDU-INIZCTEOSA-N 2 2 330.394 3.155 20 0 EGADLP Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000734435237 575487357 /nfs/dbraw/zinc/48/73/57/575487357.db2.gz GUYLHTAKGVNHJU-SFHVURJKSA-N 2 2 341.455 3.498 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000742378587 576776266 /nfs/dbraw/zinc/77/62/66/576776266.db2.gz VLWHDUUDCLDYMC-UHFFFAOYSA-N 2 2 349.482 3.388 20 0 EGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000743265544 576804801 /nfs/dbraw/zinc/80/48/01/576804801.db2.gz YXZQTYFLTRBEEU-LJQANCHMSA-N 2 2 345.874 3.023 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000076762896 1292441789 /nfs/dbraw/zinc/44/17/89/1292441789.db2.gz PKMYUUROVVALNG-AWEZNQCLSA-N 2 2 337.533 3.031 20 0 EGADLP CCC(=O)N1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000089154923 1292758516 /nfs/dbraw/zinc/75/85/16/1292758516.db2.gz CTWLHPSSLIXNQL-INIZCTEOSA-N 2 2 331.504 3.106 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cn1 ZINC000102423597 1292975703 /nfs/dbraw/zinc/97/57/03/1292975703.db2.gz WGJRMWQPSKWALD-UHFFFAOYSA-N 2 2 332.407 3.141 20 0 EGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119632813 1293280805 /nfs/dbraw/zinc/28/08/05/1293280805.db2.gz LLMSKFAQBUYZRQ-ROUUACIJSA-N 2 2 340.870 3.337 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000120824649 1293340662 /nfs/dbraw/zinc/34/06/62/1293340662.db2.gz WLFDHUUVNTVHEM-UHFFFAOYSA-N 2 2 326.488 3.461 20 0 EGADLP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000131444704 1293690389 /nfs/dbraw/zinc/69/03/89/1293690389.db2.gz UMWHVCYBRUUVEF-UHFFFAOYSA-N 3 2 332.536 3.043 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135983291 1293806095 /nfs/dbraw/zinc/80/60/95/1293806095.db2.gz FWVSNPGGJAASBY-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135983291 1293806101 /nfs/dbraw/zinc/80/61/01/1293806101.db2.gz FWVSNPGGJAASBY-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000151123819 1293909012 /nfs/dbraw/zinc/90/90/12/1293909012.db2.gz ZTBOXUDWRSNLJA-SFHVURJKSA-N 3 2 344.547 3.043 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000151123819 1293909013 /nfs/dbraw/zinc/90/90/13/1293909013.db2.gz ZTBOXUDWRSNLJA-SFHVURJKSA-N 3 2 344.547 3.043 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000157437174 1294178073 /nfs/dbraw/zinc/17/80/73/1294178073.db2.gz JRKOLYJPJUIDCW-UHFFFAOYSA-N 2 2 328.456 3.326 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000157437174 1294178075 /nfs/dbraw/zinc/17/80/75/1294178075.db2.gz JRKOLYJPJUIDCW-UHFFFAOYSA-N 2 2 328.456 3.326 20 0 EGADLP c1ccc2c(c1)OCC[C@H]2C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000158345029 1294203509 /nfs/dbraw/zinc/20/35/09/1294203509.db2.gz JTVVQIVVTPHBFT-SFHVURJKSA-N 2 2 337.467 3.202 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000189988598 1295556834 /nfs/dbraw/zinc/55/68/34/1295556834.db2.gz NUEOBIBLQABNDO-GJZGRUSLSA-N 2 2 344.459 3.436 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000236919148 1296211808 /nfs/dbraw/zinc/21/18/08/1296211808.db2.gz PAPXECWUGQUKGV-UHFFFAOYSA-N 2 2 330.451 3.202 20 0 EGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000236923600 1296212306 /nfs/dbraw/zinc/21/23/06/1296212306.db2.gz RRXYANCIYBQOQV-MRXNPFEDSA-N 2 2 330.472 3.322 20 0 EGADLP CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000236954301 1296214408 /nfs/dbraw/zinc/21/44/08/1296214408.db2.gz UUOVZYWIAITDSZ-UHFFFAOYSA-N 2 2 348.450 3.011 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2F)[C@H](C)C1 ZINC000872035679 1296683953 /nfs/dbraw/zinc/68/39/53/1296683953.db2.gz PXJQLOSUCUYVEM-INMHGKMJSA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2F)[C@H](C)C1 ZINC000872035679 1296683961 /nfs/dbraw/zinc/68/39/61/1296683961.db2.gz PXJQLOSUCUYVEM-INMHGKMJSA-N 2 2 338.467 3.319 20 0 EGADLP CC[C@@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000872071502 1296716029 /nfs/dbraw/zinc/71/60/29/1296716029.db2.gz QIFWRXVYUUOXFF-UMQXSMKFSA-N 2 2 349.563 3.409 20 0 EGADLP CC[C@@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000872071502 1296716032 /nfs/dbraw/zinc/71/60/32/1296716032.db2.gz QIFWRXVYUUOXFF-UMQXSMKFSA-N 2 2 349.563 3.409 20 0 EGADLP Cn1nccc1[C@H]1[C@H](CNc2cc[nH+]cc2Cl)CCC[N@@H+]1C1CC1 ZINC000285102677 1296736925 /nfs/dbraw/zinc/73/69/25/1296736925.db2.gz ZHRRBIPCFDMDQK-SCLBCKFNSA-N 2 2 345.878 3.496 20 0 EGADLP Cn1nccc1[C@H]1[C@H](CNc2cc[nH+]cc2Cl)CCC[N@H+]1C1CC1 ZINC000285102677 1296736935 /nfs/dbraw/zinc/73/69/35/1296736935.db2.gz ZHRRBIPCFDMDQK-SCLBCKFNSA-N 2 2 345.878 3.496 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](O)c1ccccc1 ZINC000872133086 1296757333 /nfs/dbraw/zinc/75/73/33/1296757333.db2.gz NKSMUAYJBWYFAG-QUCCMNQESA-N 2 2 325.456 3.152 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000310570341 1297096613 /nfs/dbraw/zinc/09/66/13/1297096613.db2.gz OVEUSROKQGLTAC-SFHVURJKSA-N 2 2 347.503 3.328 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664078 1297508476 /nfs/dbraw/zinc/50/84/76/1297508476.db2.gz PASDGHVWPOMNAV-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664078 1297508479 /nfs/dbraw/zinc/50/84/79/1297508479.db2.gz PASDGHVWPOMNAV-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000373108104 1297514963 /nfs/dbraw/zinc/51/49/63/1297514963.db2.gz ZZDFYBGFNLOQMB-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000373108104 1297514968 /nfs/dbraw/zinc/51/49/68/1297514968.db2.gz ZZDFYBGFNLOQMB-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cn1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000712450282 1298265412 /nfs/dbraw/zinc/26/54/12/1298265412.db2.gz IOLFLRJXUCKKSJ-SFHVURJKSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000712450282 1298265418 /nfs/dbraw/zinc/26/54/18/1298265418.db2.gz IOLFLRJXUCKKSJ-SFHVURJKSA-N 2 2 332.879 3.075 20 0 EGADLP C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000712453997 1298265574 /nfs/dbraw/zinc/26/55/74/1298265574.db2.gz XVVGKELVJNWFHX-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712453997 1298265580 /nfs/dbraw/zinc/26/55/80/1298265580.db2.gz XVVGKELVJNWFHX-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)sc1Br ZINC000719259738 1298312345 /nfs/dbraw/zinc/31/23/45/1298312345.db2.gz UKGCXFFQMUYZRL-LBPRGKRZSA-N 2 2 344.322 3.178 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746660182 1298634828 /nfs/dbraw/zinc/63/48/28/1298634828.db2.gz VAISUJNIKDIENY-KRWDZBQOSA-N 2 2 344.421 3.373 20 0 EGADLP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746660182 1298634839 /nfs/dbraw/zinc/63/48/39/1298634839.db2.gz VAISUJNIKDIENY-KRWDZBQOSA-N 2 2 344.421 3.373 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCOCc2ccccc2)CC1 ZINC000877045871 1299131043 /nfs/dbraw/zinc/13/10/43/1299131043.db2.gz FOGGJBBFJPFLEH-GOSISDBHSA-N 2 2 348.531 3.461 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877744123 1299520336 /nfs/dbraw/zinc/52/03/36/1299520336.db2.gz OUGYXHFQXVKIJD-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877744123 1299520340 /nfs/dbraw/zinc/52/03/40/1299520340.db2.gz OUGYXHFQXVKIJD-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877744123 1299520345 /nfs/dbraw/zinc/52/03/45/1299520345.db2.gz OUGYXHFQXVKIJD-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC ZINC000877744123 1299520349 /nfs/dbraw/zinc/52/03/49/1299520349.db2.gz OUGYXHFQXVKIJD-SZMVWBNQSA-N 2 2 332.488 3.399 20 0 EGADLP C[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000754500676 1300154832 /nfs/dbraw/zinc/15/48/32/1300154832.db2.gz QYNHGFKDRZUIED-OWCLPIDISA-N 2 2 327.428 3.177 20 0 EGADLP C[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000754500676 1300154835 /nfs/dbraw/zinc/15/48/35/1300154835.db2.gz QYNHGFKDRZUIED-OWCLPIDISA-N 2 2 327.428 3.177 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C2 ZINC000756033307 1300429533 /nfs/dbraw/zinc/42/95/33/1300429533.db2.gz WTFAGZCPBKKWAE-APWZRJJASA-N 2 2 327.472 3.454 20 0 EGADLP COC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000879662471 1300660048 /nfs/dbraw/zinc/66/00/48/1300660048.db2.gz AOCPRGPBMWMUGI-OAHLLOKOSA-N 2 2 338.249 3.013 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567066 1301164383 /nfs/dbraw/zinc/16/43/83/1301164383.db2.gz DSAQOLSKHMNXKI-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CN(C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1CCCCC1 ZINC000880568339 1301164579 /nfs/dbraw/zinc/16/45/79/1301164579.db2.gz XDBZHEUGFBXXLH-LJQANCHMSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)ncc1F ZINC000762761730 1301743649 /nfs/dbraw/zinc/74/36/49/1301743649.db2.gz OFXSGAKOHXTJTO-OUAUKWLOSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)ncc1F ZINC000762761730 1301743654 /nfs/dbraw/zinc/74/36/54/1301743654.db2.gz OFXSGAKOHXTJTO-OUAUKWLOSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762761726 1301744049 /nfs/dbraw/zinc/74/40/49/1301744049.db2.gz OFXSGAKOHXTJTO-DCAQKATOSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762761726 1301744054 /nfs/dbraw/zinc/74/40/54/1301744054.db2.gz OFXSGAKOHXTJTO-DCAQKATOSA-N 2 2 330.245 3.117 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1C ZINC000764460531 1302066883 /nfs/dbraw/zinc/06/68/83/1302066883.db2.gz MLAYHVAQXJKFHA-SFHVURJKSA-N 2 2 345.487 3.120 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1C ZINC000764460531 1302066893 /nfs/dbraw/zinc/06/68/93/1302066893.db2.gz MLAYHVAQXJKFHA-SFHVURJKSA-N 2 2 345.487 3.120 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(CO)c3)CC2)cc1 ZINC000765801292 1302331100 /nfs/dbraw/zinc/33/11/00/1302331100.db2.gz NAKYQYGCUZQOSH-UHFFFAOYSA-N 2 2 339.483 3.004 20 0 EGADLP c1cn(C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccccc2)c[nH+]1 ZINC000883397395 1302430342 /nfs/dbraw/zinc/43/03/42/1302430342.db2.gz LNOFIDNAUMRLTB-HXUWFJFHSA-N 2 2 347.466 3.409 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769686996 1303158899 /nfs/dbraw/zinc/15/88/99/1303158899.db2.gz ZVCQBRTWZBWKLR-OAGGEKHMSA-N 2 2 327.513 3.142 20 0 EGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885913353 1303273209 /nfs/dbraw/zinc/27/32/09/1303273209.db2.gz APPSHRSJEAIWNT-UXHICEINSA-N 2 2 344.499 3.141 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C)c(C)c3)CC2)[nH+]c1C ZINC000886664697 1303544828 /nfs/dbraw/zinc/54/48/28/1303544828.db2.gz VEPCTDNUGPQKNU-UHFFFAOYSA-N 2 2 340.471 3.461 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)[nH+]c1C ZINC000886666277 1303546280 /nfs/dbraw/zinc/54/62/80/1303546280.db2.gz QBXOCGREUAGZPS-SFHVURJKSA-N 2 2 338.455 3.011 20 0 EGADLP COC(=O)c1sccc1C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886666613 1303546384 /nfs/dbraw/zinc/54/63/84/1303546384.db2.gz WHSFMNHROWGWCA-UHFFFAOYSA-N 2 2 333.457 3.254 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(F)c3)CC2)[nH+]c1C ZINC000886668626 1303548622 /nfs/dbraw/zinc/54/86/22/1303548622.db2.gz WKMYLNZSIRTRGH-CQSZACIVSA-N 2 2 344.434 3.372 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000772875520 1303588557 /nfs/dbraw/zinc/58/85/57/1303588557.db2.gz NLQWYBXARBQWTF-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000772875520 1303588564 /nfs/dbraw/zinc/58/85/64/1303588564.db2.gz NLQWYBXARBQWTF-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ncccc3F)CC2)cc1 ZINC000773091757 1303624126 /nfs/dbraw/zinc/62/41/26/1303624126.db2.gz KBUBCUAPQYCKDV-UHFFFAOYSA-N 2 2 328.435 3.045 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)NC(=O)OC(C)(C)C ZINC000774381468 1303803903 /nfs/dbraw/zinc/80/39/03/1303803903.db2.gz WLHVKULHYDFEFU-INMHGKMJSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)NC(=O)OC(C)(C)C ZINC000774381468 1303803907 /nfs/dbraw/zinc/80/39/07/1303803907.db2.gz WLHVKULHYDFEFU-INMHGKMJSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]CC(=O)Nc2cccc3ccccc32)CC1 ZINC000776057749 1304087513 /nfs/dbraw/zinc/08/75/13/1304087513.db2.gz BVQJGWCGSUKYAZ-UHFFFAOYSA-N 2 2 325.456 3.241 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000778188626 1304413388 /nfs/dbraw/zinc/41/33/88/1304413388.db2.gz VWRYQQPRALZJLA-AWEZNQCLSA-N 2 2 341.846 3.042 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cn1 ZINC000779402446 1304567061 /nfs/dbraw/zinc/56/70/61/1304567061.db2.gz BIROGQOYLAWCDD-PKOBYXMFSA-N 2 2 335.467 3.151 20 0 EGADLP CC(C)[C@H](c1ccccc1)[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783989832 1305171727 /nfs/dbraw/zinc/17/17/27/1305171727.db2.gz UHBJXYPEMXYVAG-FXAWDEMLSA-N 2 2 340.471 3.023 20 0 EGADLP CC(C)[C@H](c1ccccc1)[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783989832 1305171731 /nfs/dbraw/zinc/17/17/31/1305171731.db2.gz UHBJXYPEMXYVAG-FXAWDEMLSA-N 2 2 340.471 3.023 20 0 EGADLP CCc1onc(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000892676429 1305501828 /nfs/dbraw/zinc/50/18/28/1305501828.db2.gz LHVNMLZKWFAZCN-UHFFFAOYSA-N 2 2 328.391 3.468 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046629 1306189973 /nfs/dbraw/zinc/18/99/73/1306189973.db2.gz XEZSYAKBQORNRW-HUUCEWRRSA-N 2 2 343.471 3.259 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046629 1306189977 /nfs/dbraw/zinc/18/99/77/1306189977.db2.gz XEZSYAKBQORNRW-HUUCEWRRSA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046629 1306189981 /nfs/dbraw/zinc/18/99/81/1306189981.db2.gz XEZSYAKBQORNRW-HUUCEWRRSA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046629 1306189987 /nfs/dbraw/zinc/18/99/87/1306189987.db2.gz XEZSYAKBQORNRW-HUUCEWRRSA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000790081007 1306260156 /nfs/dbraw/zinc/26/01/56/1306260156.db2.gz UTVSVDJELVHWOA-INIZCTEOSA-N 2 2 327.513 3.050 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000790081007 1306260168 /nfs/dbraw/zinc/26/01/68/1306260168.db2.gz UTVSVDJELVHWOA-INIZCTEOSA-N 2 2 327.513 3.050 20 0 EGADLP CCOC(=O)NC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000791003515 1308907541 /nfs/dbraw/zinc/90/75/41/1308907541.db2.gz XPBVTNSOTONZQF-UHFFFAOYSA-N 2 2 342.443 3.019 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n(C)n1 ZINC000793531707 1309396132 /nfs/dbraw/zinc/39/61/32/1309396132.db2.gz FERJBEXXZGTJGR-INIZCTEOSA-N 2 2 341.503 3.114 20 0 EGADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCCCC2)n1 ZINC000796758101 1310080743 /nfs/dbraw/zinc/08/07/43/1310080743.db2.gz BWAXDPUTIVSYFK-RTBURBONSA-N 2 2 346.519 3.264 20 0 EGADLP C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000897970275 1310532992 /nfs/dbraw/zinc/53/29/92/1310532992.db2.gz RSYSMRBMQZMSMB-KRWDZBQOSA-N 2 2 338.499 3.337 20 0 EGADLP Cc1[nH]c(C2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)[nH+]c1C ZINC000899506780 1317061337 /nfs/dbraw/zinc/06/13/37/1317061337.db2.gz ZLMZUBRAYKRVQC-UHFFFAOYSA-N 2 2 340.471 3.108 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)cc1 ZINC001019171539 1317086544 /nfs/dbraw/zinc/08/65/44/1317086544.db2.gz BMNKVDDKBLYTTP-IBGZPJMESA-N 2 2 337.467 3.320 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+][C@H]3CCc4ccccc43)C2)c(C)[nH+]1 ZINC001019171829 1317087027 /nfs/dbraw/zinc/08/70/27/1317087027.db2.gz RSLTWSNXPQMFLC-ICSRJNTNSA-N 2 2 349.478 3.498 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902429831 1317578028 /nfs/dbraw/zinc/57/80/28/1317578028.db2.gz ACIWSQFYWVUJFT-QSFMABPGSA-N 2 2 330.472 3.103 20 0 EGADLP CC(C)[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000902438277 1317578815 /nfs/dbraw/zinc/57/88/15/1317578815.db2.gz LYICNSCYTGYVTO-BHIYHBOVSA-N 2 2 337.423 3.445 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cn(C)nn1 ZINC000902747290 1317611488 /nfs/dbraw/zinc/61/14/88/1317611488.db2.gz DONANIKBUVZJFW-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cn(C)nn1 ZINC000902747290 1317611493 /nfs/dbraw/zinc/61/14/93/1317611493.db2.gz DONANIKBUVZJFW-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cn(C)nn1 ZINC000902747292 1317611792 /nfs/dbraw/zinc/61/17/92/1317611792.db2.gz DONANIKBUVZJFW-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cn(C)nn1 ZINC000902747292 1317611798 /nfs/dbraw/zinc/61/17/98/1317611798.db2.gz DONANIKBUVZJFW-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)c(F)c1 ZINC000903131210 1317660168 /nfs/dbraw/zinc/66/01/68/1317660168.db2.gz HHNZTXFUOFXBLG-RFXRPKLXSA-N 2 2 336.426 3.400 20 0 EGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)c(F)c1 ZINC000903131210 1317660176 /nfs/dbraw/zinc/66/01/76/1317660176.db2.gz HHNZTXFUOFXBLG-RFXRPKLXSA-N 2 2 336.426 3.400 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001020388977 1317675344 /nfs/dbraw/zinc/67/53/44/1317675344.db2.gz WCICFUQKFKZEBW-IYARVYRRSA-N 2 2 348.450 3.002 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)CCC1 ZINC000903812388 1317736707 /nfs/dbraw/zinc/73/67/07/1317736707.db2.gz SGWLDHPUBHNXDC-MRXNPFEDSA-N 2 2 344.434 3.359 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3F)no2)CCC1 ZINC000903812388 1317736721 /nfs/dbraw/zinc/73/67/21/1317736721.db2.gz SGWLDHPUBHNXDC-MRXNPFEDSA-N 2 2 344.434 3.359 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c(C)c1 ZINC000903816261 1317737885 /nfs/dbraw/zinc/73/78/85/1317737885.db2.gz XIKAZRKSFCFXKJ-GOSISDBHSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c(C)c1 ZINC000903816261 1317737889 /nfs/dbraw/zinc/73/78/89/1317737889.db2.gz XIKAZRKSFCFXKJ-GOSISDBHSA-N 2 2 329.488 3.225 20 0 EGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818445 1317737900 /nfs/dbraw/zinc/73/79/00/1317737900.db2.gz LQCOGBUQOJPSCW-UHFFFAOYSA-N 2 2 334.847 3.431 20 0 EGADLP Clc1oc2ccccc2c1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818445 1317737909 /nfs/dbraw/zinc/73/79/09/1317737909.db2.gz LQCOGBUQOJPSCW-UHFFFAOYSA-N 2 2 334.847 3.431 20 0 EGADLP c1csc([C@H]2CSCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903913877 1317747959 /nfs/dbraw/zinc/74/79/59/1317747959.db2.gz FFMDGAFBSQFRKT-MRXNPFEDSA-N 2 2 331.510 3.079 20 0 EGADLP c1csc([C@H]2CSCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903913877 1317747961 /nfs/dbraw/zinc/74/79/61/1317747961.db2.gz FFMDGAFBSQFRKT-MRXNPFEDSA-N 2 2 331.510 3.079 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974619 1317759445 /nfs/dbraw/zinc/75/94/45/1317759445.db2.gz RZBYWWKTGBCDON-HNNXBMFYSA-N 2 2 328.456 3.244 20 0 EGADLP CCCCCNC(=O)C1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904308021 1317828503 /nfs/dbraw/zinc/82/85/03/1317828503.db2.gz JKCZEMGGDDMOBM-QGZVFWFLSA-N 2 2 325.541 3.158 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000904336490 1317832844 /nfs/dbraw/zinc/83/28/44/1317832844.db2.gz QZMURNMNLIRLEA-KRWDZBQOSA-N 2 2 337.552 3.301 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000904336491 1317833118 /nfs/dbraw/zinc/83/31/18/1317833118.db2.gz QZMURNMNLIRLEA-QGZVFWFLSA-N 2 2 337.552 3.301 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000809735331 1317882650 /nfs/dbraw/zinc/88/26/50/1317882650.db2.gz BDUCEBAFWQCOCX-GOSISDBHSA-N 3 2 344.547 3.041 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000809735331 1317882656 /nfs/dbraw/zinc/88/26/56/1317882656.db2.gz BDUCEBAFWQCOCX-GOSISDBHSA-N 3 2 344.547 3.041 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)c(C)[nH+]1 ZINC001022462148 1318951861 /nfs/dbraw/zinc/95/18/61/1318951861.db2.gz KNHVYTOOVMFKHV-HDICACEKSA-N 2 2 329.488 3.438 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960984049 1319115486 /nfs/dbraw/zinc/11/54/86/1319115486.db2.gz RGLAIFHQBOLVLB-INIZCTEOSA-N 2 2 346.519 3.046 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960984049 1319115489 /nfs/dbraw/zinc/11/54/89/1319115489.db2.gz RGLAIFHQBOLVLB-INIZCTEOSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001022888574 1319152049 /nfs/dbraw/zinc/15/20/49/1319152049.db2.gz NAIBTFDCPZUIBK-JCGIZDLHSA-N 2 2 340.471 3.074 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817939812 1319468353 /nfs/dbraw/zinc/46/83/53/1319468353.db2.gz CPTMNOJKKXNDCX-APWZRJJASA-N 3 2 331.504 3.084 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487100 1319592198 /nfs/dbraw/zinc/59/21/98/1319592198.db2.gz BCCWXJRIHKDNSO-INIZCTEOSA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487100 1319592203 /nfs/dbraw/zinc/59/22/03/1319592203.db2.gz BCCWXJRIHKDNSO-INIZCTEOSA-N 2 2 342.487 3.212 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000819183810 1319661019 /nfs/dbraw/zinc/66/10/19/1319661019.db2.gz SPDGQLFWOAIYRE-UWJYYQICSA-N 2 2 339.483 3.239 20 0 EGADLP O[C@H](C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)C[NH+]1CCCC1 ZINC000917063314 1319746454 /nfs/dbraw/zinc/74/64/54/1319746454.db2.gz NKOHMULSOSVABN-INIZCTEOSA-N 2 2 342.405 3.127 20 0 EGADLP O[C@H](C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)C[NH+]1CCCC1 ZINC000917063314 1319746456 /nfs/dbraw/zinc/74/64/56/1319746456.db2.gz NKOHMULSOSVABN-INIZCTEOSA-N 2 2 342.405 3.127 20 0 EGADLP CCn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000823477563 1320182504 /nfs/dbraw/zinc/18/25/04/1320182504.db2.gz USAXJRAORBROAL-INIZCTEOSA-N 2 2 333.524 3.083 20 0 EGADLP CCn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000823477563 1320182507 /nfs/dbraw/zinc/18/25/07/1320182507.db2.gz USAXJRAORBROAL-INIZCTEOSA-N 2 2 333.524 3.083 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000823518046 1320184969 /nfs/dbraw/zinc/18/49/69/1320184969.db2.gz KFNJZFBPTZRJDW-SJLPKXTDSA-N 2 2 347.503 3.207 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000825901404 1320370249 /nfs/dbraw/zinc/37/02/49/1320370249.db2.gz ZLQADMYMSYEPJI-HZMVEIRTSA-N 2 2 339.524 3.094 20 0 EGADLP CCc1ccc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1Cl ZINC000839006318 1320849438 /nfs/dbraw/zinc/84/94/38/1320849438.db2.gz RKKRFLDAYOAUGC-UHFFFAOYSA-N 2 2 332.879 3.001 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2c(F)cccc2F)cc1 ZINC000859213624 1328948264 /nfs/dbraw/zinc/94/82/64/1328948264.db2.gz XOUPFONASXFGPR-UHFFFAOYSA-N 2 2 347.409 3.097 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(F)cccc2F)cc1 ZINC000859213624 1328948271 /nfs/dbraw/zinc/94/82/71/1328948271.db2.gz XOUPFONASXFGPR-UHFFFAOYSA-N 2 2 347.409 3.097 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000842476576 1321394474 /nfs/dbraw/zinc/39/44/74/1321394474.db2.gz RQUCOFLUFJWTGQ-INIZCTEOSA-N 2 2 332.879 3.312 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccccc1Br ZINC000843360357 1321506095 /nfs/dbraw/zinc/50/60/95/1321506095.db2.gz RJEDUKFPJDFJJG-AGUYFDCRSA-N 2 2 339.277 3.172 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccccc1Br ZINC000843360357 1321506100 /nfs/dbraw/zinc/50/61/00/1321506100.db2.gz RJEDUKFPJDFJJG-AGUYFDCRSA-N 2 2 339.277 3.172 20 0 EGADLP C[C@H](COCC1CC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000846072367 1321766325 /nfs/dbraw/zinc/76/63/25/1321766325.db2.gz GHLAPFNZLHCAQK-MRXNPFEDSA-N 2 2 331.504 3.126 20 0 EGADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000849077510 1322068782 /nfs/dbraw/zinc/06/87/82/1322068782.db2.gz BOLRNRUBDOMDKE-VQIMIIECSA-N 2 2 346.519 3.333 20 0 EGADLP CCc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000849096824 1322076060 /nfs/dbraw/zinc/07/60/60/1322076060.db2.gz ZSLMAYJANDEKAH-UHFFFAOYSA-N 2 2 328.435 3.456 20 0 EGADLP CCc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000849096824 1322076068 /nfs/dbraw/zinc/07/60/68/1322076068.db2.gz ZSLMAYJANDEKAH-UHFFFAOYSA-N 2 2 328.435 3.456 20 0 EGADLP COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000921916793 1322422721 /nfs/dbraw/zinc/42/27/21/1322422721.db2.gz HGQFTKFYSVZOEH-SFHVURJKSA-N 2 2 340.471 3.151 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CCN1Cc1ccccc1 ZINC000924645521 1323090772 /nfs/dbraw/zinc/09/07/72/1323090772.db2.gz KRMCIQGOKAHMCM-PXNSSMCTSA-N 2 2 338.499 3.015 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000924777490 1323157435 /nfs/dbraw/zinc/15/74/35/1323157435.db2.gz QAOZJSRCQDDVNC-GJZGRUSLSA-N 2 2 343.471 3.363 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000924777490 1323157439 /nfs/dbraw/zinc/15/74/39/1323157439.db2.gz QAOZJSRCQDDVNC-GJZGRUSLSA-N 2 2 343.471 3.363 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000924855589 1323189750 /nfs/dbraw/zinc/18/97/50/1323189750.db2.gz WSNUFJISDCRAIS-WBVHZDCISA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000924855589 1323189759 /nfs/dbraw/zinc/18/97/59/1323189759.db2.gz WSNUFJISDCRAIS-WBVHZDCISA-N 2 2 329.444 3.246 20 0 EGADLP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001024238177 1323225311 /nfs/dbraw/zinc/22/53/11/1323225311.db2.gz YYPFKTSLNZXIMW-KRWDZBQOSA-N 2 2 344.503 3.016 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)c2ccccn2)CCCC1)c1ccccc1 ZINC000853100004 1323281008 /nfs/dbraw/zinc/28/10/08/1323281008.db2.gz XWYFYHBYCKATAX-FXAWDEMLSA-N 2 2 339.483 3.368 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024646650 1323571824 /nfs/dbraw/zinc/57/18/24/1323571824.db2.gz GMCPNPBXCIKTOK-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024646650 1323571828 /nfs/dbraw/zinc/57/18/28/1323571828.db2.gz GMCPNPBXCIKTOK-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(CCc4ccccc4)n3)C[C@@H]2C1 ZINC000931436040 1329117491 /nfs/dbraw/zinc/11/74/91/1329117491.db2.gz PKONEJBLYHUIBJ-MSOLQXFVSA-N 2 2 341.524 3.312 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(CCc4ccccc4)n3)C[C@@H]2C1 ZINC000931436040 1329117509 /nfs/dbraw/zinc/11/75/09/1329117509.db2.gz PKONEJBLYHUIBJ-MSOLQXFVSA-N 2 2 341.524 3.312 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]2C1 ZINC000931436040 1329117511 /nfs/dbraw/zinc/11/75/11/1329117511.db2.gz PKONEJBLYHUIBJ-MSOLQXFVSA-N 2 2 341.524 3.312 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]2C1 ZINC000931436040 1329117512 /nfs/dbraw/zinc/11/75/12/1329117512.db2.gz PKONEJBLYHUIBJ-MSOLQXFVSA-N 2 2 341.524 3.312 20 0 EGADLP O=C(NC1CCC([NH2+]Cc2ccccc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001026515335 1324861751 /nfs/dbraw/zinc/86/17/51/1324861751.db2.gz PAAWAKPLXIJJIX-UHFFFAOYSA-N 2 2 348.450 3.394 20 0 EGADLP CC1(C)CC(C[NH2+]C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001026920284 1325082500 /nfs/dbraw/zinc/08/25/00/1325082500.db2.gz YRCPMYXOTQCJQS-CQSZACIVSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299842 1325082754 /nfs/dbraw/zinc/08/27/54/1325082754.db2.gz WZYUIZSBRSRJMV-MSOLQXFVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299842 1325082763 /nfs/dbraw/zinc/08/27/63/1325082763.db2.gz WZYUIZSBRSRJMV-MSOLQXFVSA-N 2 2 344.503 3.012 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000925276664 1325110426 /nfs/dbraw/zinc/11/04/26/1325110426.db2.gz AAJZMBYCRJPLPG-ASKKUZCQSA-N 2 2 343.471 3.490 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000925276664 1325110433 /nfs/dbraw/zinc/11/04/33/1325110433.db2.gz AAJZMBYCRJPLPG-ASKKUZCQSA-N 2 2 343.471 3.490 20 0 EGADLP Fc1cccc(Oc2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)cn2)c1 ZINC000925545937 1325201239 /nfs/dbraw/zinc/20/12/39/1325201239.db2.gz HSQSJAALVOWWOO-RJISSLQISA-N 2 2 339.414 3.099 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790692 1325302975 /nfs/dbraw/zinc/30/29/75/1325302975.db2.gz HTFGXNHCVPHXTL-KXBFYZLASA-N 2 2 344.499 3.166 20 0 EGADLP CCN(C(=O)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000925812490 1325312505 /nfs/dbraw/zinc/31/25/05/1325312505.db2.gz HUERACUKRNGOCZ-QUCCMNQESA-N 2 2 337.467 3.122 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C3(Cl)CC3)CC2)cc1 ZINC000926529120 1325587220 /nfs/dbraw/zinc/58/72/20/1325587220.db2.gz VIZUAFLSXRCGFN-CQSZACIVSA-N 2 2 349.906 3.359 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598911 1327950239 /nfs/dbraw/zinc/95/02/39/1327950239.db2.gz VSPUARIKIXEJCB-NVXWUHKLSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598911 1327950249 /nfs/dbraw/zinc/95/02/49/1327950249.db2.gz VSPUARIKIXEJCB-NVXWUHKLSA-N 2 2 346.500 3.019 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027664116 1328055084 /nfs/dbraw/zinc/05/50/84/1328055084.db2.gz PVTOVLHNPVZKLA-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027664116 1328055093 /nfs/dbraw/zinc/05/50/93/1328055093.db2.gz PVTOVLHNPVZKLA-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027971143 1328442753 /nfs/dbraw/zinc/44/27/53/1328442753.db2.gz ZTGBJIONENWUIF-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027971143 1328442759 /nfs/dbraw/zinc/44/27/59/1328442759.db2.gz ZTGBJIONENWUIF-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C)c[nH+]1 ZINC000966908669 1328467566 /nfs/dbraw/zinc/46/75/66/1328467566.db2.gz UVLIBEUDPADYCL-RDJZCZTQSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C)c[nH+]1 ZINC000966908669 1328467570 /nfs/dbraw/zinc/46/75/70/1328467570.db2.gz UVLIBEUDPADYCL-RDJZCZTQSA-N 2 2 348.535 3.189 20 0 EGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cccnc1Br)C(C)(C)C ZINC000865466284 1329701431 /nfs/dbraw/zinc/70/14/31/1329701431.db2.gz FFGYRSUPYHMOKF-CYBMUJFWSA-N 2 2 328.298 3.300 20 0 EGADLP O=C(c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)N1CCCC1 ZINC000865620284 1329721141 /nfs/dbraw/zinc/72/11/41/1329721141.db2.gz SVADRUMNPXLSNN-WOJBJXKFSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)N1CCCC1 ZINC000865620284 1329721143 /nfs/dbraw/zinc/72/11/43/1329721143.db2.gz SVADRUMNPXLSNN-WOJBJXKFSA-N 2 2 341.499 3.029 20 0 EGADLP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c(N(C)C)[nH+]1 ZINC000935032333 1330024397 /nfs/dbraw/zinc/02/43/97/1330024397.db2.gz IFUHLHAVCCCXLV-UHFFFAOYSA-N 2 2 342.443 3.287 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935076051 1330026987 /nfs/dbraw/zinc/02/69/87/1330026987.db2.gz DZMXQHFKJGDXRL-OALUTQOASA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935076051 1330026989 /nfs/dbraw/zinc/02/69/89/1330026989.db2.gz DZMXQHFKJGDXRL-OALUTQOASA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC3)CC[NH+](C)CC4)[nH+]cn2)C1 ZINC000866055171 1330060314 /nfs/dbraw/zinc/06/03/14/1330060314.db2.gz PXSXDMQLDXDUSS-QGZVFWFLSA-N 2 2 343.519 3.025 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCC4(CC3)CC[NH+](C)CC4)nc[nH+]2)C1 ZINC000866055171 1330060315 /nfs/dbraw/zinc/06/03/15/1330060315.db2.gz PXSXDMQLDXDUSS-QGZVFWFLSA-N 2 2 343.519 3.025 20 0 EGADLP CC1(C)C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940837803 1331213827 /nfs/dbraw/zinc/21/38/27/1331213827.db2.gz BBVPBRMIHJKXEV-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940837803 1331213829 /nfs/dbraw/zinc/21/38/29/1331213829.db2.gz BBVPBRMIHJKXEV-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766413 1332259207 /nfs/dbraw/zinc/25/92/07/1332259207.db2.gz IHMKBHADBIIISH-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766413 1332259210 /nfs/dbraw/zinc/25/92/10/1332259210.db2.gz IHMKBHADBIIISH-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803637 1332902745 /nfs/dbraw/zinc/90/27/45/1332902745.db2.gz OSIRCYSXAYTGSW-HCXYKTFWSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803637 1332902748 /nfs/dbraw/zinc/90/27/48/1332902748.db2.gz OSIRCYSXAYTGSW-HCXYKTFWSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H]1CC[N@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702857 1336017237 /nfs/dbraw/zinc/01/72/37/1336017237.db2.gz POVCCKATEXDVNN-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1CC[N@@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702857 1336017241 /nfs/dbraw/zinc/01/72/41/1336017241.db2.gz POVCCKATEXDVNN-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920150 1336089247 /nfs/dbraw/zinc/08/92/47/1336089247.db2.gz PJHRBYXEEGDLCS-HOTGVXAUSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@H](F)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920150 1336089249 /nfs/dbraw/zinc/08/92/49/1336089249.db2.gz PJHRBYXEEGDLCS-HOTGVXAUSA-N 2 2 346.450 3.285 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)C2)c[nH+]1 ZINC001007594205 1336672826 /nfs/dbraw/zinc/67/28/26/1336672826.db2.gz HEDIQFDFQPWMJY-SFHVURJKSA-N 2 2 344.503 3.008 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)C2)c[nH+]1 ZINC001007594205 1336672829 /nfs/dbraw/zinc/67/28/29/1336672829.db2.gz HEDIQFDFQPWMJY-SFHVURJKSA-N 2 2 344.503 3.008 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640648 1371116102 /nfs/dbraw/zinc/11/61/02/1371116102.db2.gz KEIRCODVKVVXLP-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206640648 1371116105 /nfs/dbraw/zinc/11/61/05/1371116105.db2.gz KEIRCODVKVVXLP-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939299 1337960107 /nfs/dbraw/zinc/96/01/07/1337960107.db2.gz CLDPCWCVRJGEEP-MAUKXSAKSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939299 1337960109 /nfs/dbraw/zinc/96/01/09/1337960109.db2.gz CLDPCWCVRJGEEP-MAUKXSAKSA-N 2 2 348.450 3.437 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014939302 1337960263 /nfs/dbraw/zinc/96/02/63/1337960263.db2.gz CLKLIZRKPZFBEC-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014939302 1337960266 /nfs/dbraw/zinc/96/02/66/1337960266.db2.gz CLKLIZRKPZFBEC-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687524 1338690471 /nfs/dbraw/zinc/69/04/71/1338690471.db2.gz JMKBKIPGWUWRBS-KDOFPFPSSA-N 2 2 340.471 3.193 20 0 EGADLP C[N@H+](CC1CCCC1)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001030010280 1341156970 /nfs/dbraw/zinc/15/69/70/1341156970.db2.gz KFMQOTAMEXHCIO-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP C[N@@H+](CC1CCCC1)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001030010280 1341156971 /nfs/dbraw/zinc/15/69/71/1341156971.db2.gz KFMQOTAMEXHCIO-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527842 1341194297 /nfs/dbraw/zinc/19/42/97/1341194297.db2.gz WVKONCMZKFQKKR-IBGZPJMESA-N 2 2 334.423 3.128 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001030618589 1341200798 /nfs/dbraw/zinc/20/07/98/1341200798.db2.gz MEPYNCJLLRWRGD-MRXNPFEDSA-N 2 2 348.450 3.126 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031045355 1341269164 /nfs/dbraw/zinc/26/91/64/1341269164.db2.gz LWPNGRRTBSVDAG-ROUUACIJSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@H+](CCC4CC4)C3)ccn12 ZINC001034207995 1342317898 /nfs/dbraw/zinc/31/78/98/1342317898.db2.gz UREJDRRKUJHNOG-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@@H+](CCC4CC4)C3)ccn12 ZINC001034207995 1342317902 /nfs/dbraw/zinc/31/79/02/1342317902.db2.gz UREJDRRKUJHNOG-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467333 1342522320 /nfs/dbraw/zinc/52/23/20/1342522320.db2.gz JBYJJGCEMLOODK-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467333 1342522323 /nfs/dbraw/zinc/52/23/23/1342522323.db2.gz JBYJJGCEMLOODK-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198881 1343012777 /nfs/dbraw/zinc/01/27/77/1343012777.db2.gz VOOGDLHWSMCXFI-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198881 1343012781 /nfs/dbraw/zinc/01/27/81/1343012781.db2.gz VOOGDLHWSMCXFI-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036595328 1343568616 /nfs/dbraw/zinc/56/86/16/1343568616.db2.gz ZJJLNTSBMZTDPG-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1cccc2[nH+]ccn21 ZINC001037043261 1343945589 /nfs/dbraw/zinc/94/55/89/1343945589.db2.gz MMXZQCBLDRCZTN-IRXDYDNUSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC2)c(C)[nH+]1 ZINC001037218327 1344050502 /nfs/dbraw/zinc/05/05/02/1344050502.db2.gz XQFGUWCBSKMANY-ROUUACIJSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1[NH2+]CC(C)C ZINC001037884944 1344160135 /nfs/dbraw/zinc/16/01/35/1344160135.db2.gz BLODXWNMJBWURU-ZWKOTPCHSA-N 2 2 331.504 3.493 20 0 EGADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037995876 1344226939 /nfs/dbraw/zinc/22/69/39/1344226939.db2.gz HUIJWMDORKOUNT-RTBURBONSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+]3[C@H](C)c3ccccc3)ccn12 ZINC001038255991 1344346261 /nfs/dbraw/zinc/34/62/61/1344346261.db2.gz WTZGXSFFTUTWTC-VQIMIIECSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+]3[C@H](C)c3ccccc3)ccn12 ZINC001038255991 1344346263 /nfs/dbraw/zinc/34/62/63/1344346263.db2.gz WTZGXSFFTUTWTC-VQIMIIECSA-N 2 2 348.450 3.208 20 0 EGADLP CC1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001038416737 1344419132 /nfs/dbraw/zinc/41/91/32/1344419132.db2.gz OZCKVWNJZRVVHW-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CCC(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001038416737 1344419134 /nfs/dbraw/zinc/41/91/34/1344419134.db2.gz OZCKVWNJZRVVHW-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214329 1344929629 /nfs/dbraw/zinc/92/96/29/1344929629.db2.gz RYSJDFMXYJWBBX-BEFAXECRSA-N 2 2 340.471 3.290 20 0 EGADLP CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214329 1344929630 /nfs/dbraw/zinc/92/96/30/1344929630.db2.gz RYSJDFMXYJWBBX-BEFAXECRSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224934 1344942589 /nfs/dbraw/zinc/94/25/89/1344942589.db2.gz JGWKYBXITXPKFG-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224934 1344942590 /nfs/dbraw/zinc/94/25/90/1344942590.db2.gz JGWKYBXITXPKFG-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001039249461 1344979305 /nfs/dbraw/zinc/97/93/05/1344979305.db2.gz IWOMLKMEPLBHKV-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001039249461 1344979307 /nfs/dbraw/zinc/97/93/07/1344979307.db2.gz IWOMLKMEPLBHKV-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423138 1345490239 /nfs/dbraw/zinc/49/02/39/1345490239.db2.gz CQWAUZWONLNQLL-ICSRJNTNSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423138 1345490240 /nfs/dbraw/zinc/49/02/40/1345490240.db2.gz CQWAUZWONLNQLL-ICSRJNTNSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426970 1345491724 /nfs/dbraw/zinc/49/17/24/1345491724.db2.gz ZMEFZHRIMQPNIM-QUCCMNQESA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426970 1345491725 /nfs/dbraw/zinc/49/17/25/1345491725.db2.gz ZMEFZHRIMQPNIM-QUCCMNQESA-N 2 2 344.503 3.115 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493512 1345519034 /nfs/dbraw/zinc/51/90/34/1345519034.db2.gz MRVFLQKOTIQXNO-OXQOHEQNSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493512 1345519036 /nfs/dbraw/zinc/51/90/36/1345519036.db2.gz MRVFLQKOTIQXNO-OXQOHEQNSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232550 1346156144 /nfs/dbraw/zinc/15/61/44/1346156144.db2.gz KKFNOYFCCKTLOC-HXUWFJFHSA-N 2 2 348.450 3.242 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628741 1346386815 /nfs/dbraw/zinc/38/68/15/1346386815.db2.gz XYHANLRXBHGBFE-SJLPKXTDSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628741 1346386816 /nfs/dbraw/zinc/38/68/16/1346386816.db2.gz XYHANLRXBHGBFE-SJLPKXTDSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646893 1346391978 /nfs/dbraw/zinc/39/19/78/1346391978.db2.gz FVJKBPIGFFKFPP-WMLDXEAASA-N 2 2 340.471 3.336 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3C[NH2+]Cc3ccccc3)ccn12 ZINC001045035910 1346484036 /nfs/dbraw/zinc/48/40/36/1346484036.db2.gz DIQAODGLWLCIJS-IBGZPJMESA-N 2 2 348.450 3.037 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045091160 1346493143 /nfs/dbraw/zinc/49/31/43/1346493143.db2.gz BKJMCAWULPEZLR-HNNXBMFYSA-N 2 2 340.452 3.019 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001045225298 1346534856 /nfs/dbraw/zinc/53/48/56/1346534856.db2.gz XSPYWNWMFJTFSY-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943042 1346778311 /nfs/dbraw/zinc/77/83/11/1346778311.db2.gz AFZSATAIPNDPDW-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943042 1346778312 /nfs/dbraw/zinc/77/83/12/1346778312.db2.gz AFZSATAIPNDPDW-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943042 1346778318 /nfs/dbraw/zinc/77/83/18/1346778318.db2.gz AFZSATAIPNDPDW-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943042 1346778321 /nfs/dbraw/zinc/77/83/21/1346778321.db2.gz AFZSATAIPNDPDW-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948020 1346783545 /nfs/dbraw/zinc/78/35/45/1346783545.db2.gz SLFFYUWRBGOQGB-HXUWFJFHSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045948020 1346783547 /nfs/dbraw/zinc/78/35/47/1346783547.db2.gz SLFFYUWRBGOQGB-HXUWFJFHSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980408 1346817262 /nfs/dbraw/zinc/81/72/62/1346817262.db2.gz XYWROYJKKZUAQY-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980408 1346817264 /nfs/dbraw/zinc/81/72/64/1346817264.db2.gz XYWROYJKKZUAQY-HXUWFJFHSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001045981240 1346819821 /nfs/dbraw/zinc/81/98/21/1346819821.db2.gz DLGARAZLDGISGN-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001045981240 1346819823 /nfs/dbraw/zinc/81/98/23/1346819823.db2.gz DLGARAZLDGISGN-HXUWFJFHSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CC2CCCCCC2)C1 ZINC001046386538 1346958239 /nfs/dbraw/zinc/95/82/39/1346958239.db2.gz DYYXDOZPIZBZJP-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046386538 1346958243 /nfs/dbraw/zinc/95/82/43/1346958243.db2.gz DYYXDOZPIZBZJP-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](CC2CCCCCC2)C1 ZINC001046386538 1346958245 /nfs/dbraw/zinc/95/82/45/1346958245.db2.gz DYYXDOZPIZBZJP-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046386538 1346958248 /nfs/dbraw/zinc/95/82/48/1346958248.db2.gz DYYXDOZPIZBZJP-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CCCC2CCCC2)C1 ZINC001046388775 1346959258 /nfs/dbraw/zinc/95/92/58/1346959258.db2.gz XCXLOUCBJSGSPE-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046388775 1346959261 /nfs/dbraw/zinc/95/92/61/1346959261.db2.gz XCXLOUCBJSGSPE-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](CCCC2CCCC2)C1 ZINC001046388775 1346959264 /nfs/dbraw/zinc/95/92/64/1346959264.db2.gz XCXLOUCBJSGSPE-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001046388775 1346959265 /nfs/dbraw/zinc/95/92/65/1346959265.db2.gz XCXLOUCBJSGSPE-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001048051937 1347453408 /nfs/dbraw/zinc/45/34/08/1347453408.db2.gz ZSECKUJMARBPBD-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048297858 1347512487 /nfs/dbraw/zinc/51/24/87/1347512487.db2.gz PTLGNMPBUYMVLT-WMLDXEAASA-N 2 2 340.471 3.051 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001048324258 1347518258 /nfs/dbraw/zinc/51/82/58/1347518258.db2.gz XCYHIMSIHWBQFE-KXBFYZLASA-N 2 2 343.515 3.495 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845402 1348055258 /nfs/dbraw/zinc/05/52/58/1348055258.db2.gz ADPZXNUBGOVVBM-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845402 1348055261 /nfs/dbraw/zinc/05/52/61/1348055261.db2.gz ADPZXNUBGOVVBM-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CC[NH2+][C@@H](C)c1ccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001050262051 1348221907 /nfs/dbraw/zinc/22/19/07/1348221907.db2.gz RWVQHZUKCUZPBA-HNNXBMFYSA-N 2 2 336.439 3.243 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490934 1348555748 /nfs/dbraw/zinc/55/57/48/1348555748.db2.gz XCWGXQWQJCULMI-GOSISDBHSA-N 2 2 347.503 3.040 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001052490934 1348555750 /nfs/dbraw/zinc/55/57/50/1348555750.db2.gz XCWGXQWQJCULMI-GOSISDBHSA-N 2 2 347.503 3.040 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052970604 1348780682 /nfs/dbraw/zinc/78/06/82/1348780682.db2.gz RDSBKQWAYYYQRK-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052970604 1348780684 /nfs/dbraw/zinc/78/06/84/1348780684.db2.gz RDSBKQWAYYYQRK-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096828 1348927502 /nfs/dbraw/zinc/92/75/02/1348927502.db2.gz AFFUZCJIXIEMDN-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096828 1348927506 /nfs/dbraw/zinc/92/75/06/1348927506.db2.gz AFFUZCJIXIEMDN-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054142346 1349152978 /nfs/dbraw/zinc/15/29/78/1349152978.db2.gz BBIBBJLJTXZHBC-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054142346 1349152980 /nfs/dbraw/zinc/15/29/80/1349152980.db2.gz BBIBBJLJTXZHBC-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054142346 1349152984 /nfs/dbraw/zinc/15/29/84/1349152984.db2.gz BBIBBJLJTXZHBC-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054142346 1349152987 /nfs/dbraw/zinc/15/29/87/1349152987.db2.gz BBIBBJLJTXZHBC-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)[N@H+](Cc1cccc(Br)c1N)C1CC[NH+](C)CC1 ZINC001232527608 1376476769 /nfs/dbraw/zinc/47/67/69/1376476769.db2.gz DHYRUIWTQABVCI-UHFFFAOYSA-N 2 2 340.309 3.336 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(Br)c1N)C1CC[NH+](C)CC1 ZINC001232527608 1376476772 /nfs/dbraw/zinc/47/67/72/1376476772.db2.gz DHYRUIWTQABVCI-UHFFFAOYSA-N 2 2 340.309 3.336 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072029577 1355090042 /nfs/dbraw/zinc/09/00/42/1355090042.db2.gz INAUZKKXLJAYAP-CRAIPNDOSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072029577 1355090046 /nfs/dbraw/zinc/09/00/46/1355090046.db2.gz INAUZKKXLJAYAP-CRAIPNDOSA-N 2 2 344.503 3.120 20 0 EGADLP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001074088866 1356076161 /nfs/dbraw/zinc/07/61/61/1356076161.db2.gz DVHLWRFNRJUFEQ-LJQANCHMSA-N 2 2 340.471 3.207 20 0 EGADLP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001074088866 1356076165 /nfs/dbraw/zinc/07/61/65/1356076165.db2.gz DVHLWRFNRJUFEQ-LJQANCHMSA-N 2 2 340.471 3.207 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001183496651 1387313789 /nfs/dbraw/zinc/31/37/89/1387313789.db2.gz PEOBHVBHKBSQEP-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001085375445 1358481622 /nfs/dbraw/zinc/48/16/22/1358481622.db2.gz PCYCEELNUZCJAD-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1CC(C)C ZINC001087782281 1359641135 /nfs/dbraw/zinc/64/11/35/1359641135.db2.gz IQTUBHIHDPUSBV-RBUKOAKNSA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1CC(C)C ZINC001087782281 1359641137 /nfs/dbraw/zinc/64/11/37/1359641137.db2.gz IQTUBHIHDPUSBV-RBUKOAKNSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)[C@@H]2C)c[nH+]1 ZINC001088656647 1360003990 /nfs/dbraw/zinc/00/39/90/1360003990.db2.gz AAHQXZCCIUDRKR-AEFFLSMTSA-N 2 2 344.503 3.006 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)[C@@H]2C)c[nH+]1 ZINC001088656647 1360003993 /nfs/dbraw/zinc/00/39/93/1360003993.db2.gz AAHQXZCCIUDRKR-AEFFLSMTSA-N 2 2 344.503 3.006 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089640275 1360553913 /nfs/dbraw/zinc/55/39/13/1360553913.db2.gz DLXXFIYSDBHRNP-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089640275 1360553914 /nfs/dbraw/zinc/55/39/14/1360553914.db2.gz DLXXFIYSDBHRNP-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089653225 1360566105 /nfs/dbraw/zinc/56/61/05/1360566105.db2.gz OSIPKPKGCQSDEF-GVDBMIGSSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089653225 1360566107 /nfs/dbraw/zinc/56/61/07/1360566107.db2.gz OSIPKPKGCQSDEF-GVDBMIGSSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089653225 1360566109 /nfs/dbraw/zinc/56/61/09/1360566109.db2.gz OSIPKPKGCQSDEF-GVDBMIGSSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089653225 1360566113 /nfs/dbraw/zinc/56/61/13/1360566113.db2.gz OSIPKPKGCQSDEF-GVDBMIGSSA-N 2 2 346.519 3.166 20 0 EGADLP O=C(NCC1CC([NH2+]CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001091098441 1360991745 /nfs/dbraw/zinc/99/17/45/1360991745.db2.gz RNEWCPXBPUIJGX-UHFFFAOYSA-N 2 2 340.471 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CC(C)C)[C@H](C)C2)c(C)[nH+]1 ZINC001184853323 1387549736 /nfs/dbraw/zinc/54/97/36/1387549736.db2.gz ZWVRDLBJVMOJGU-QAPCUYQASA-N 2 2 331.504 3.351 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC(C)(C)C)c[nH+]1 ZINC001097318453 1362929192 /nfs/dbraw/zinc/92/91/92/1362929192.db2.gz PVWVEFOGKLIOIP-ZACQAIPSSA-N 2 2 346.519 3.084 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)(C)C)c[nH+]1 ZINC001097318453 1362929196 /nfs/dbraw/zinc/92/91/96/1362929196.db2.gz PVWVEFOGKLIOIP-ZACQAIPSSA-N 2 2 346.519 3.084 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049241 1363594106 /nfs/dbraw/zinc/59/41/06/1363594106.db2.gz PVVGBOYFHYRMJR-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049241 1363594107 /nfs/dbraw/zinc/59/41/07/1363594107.db2.gz PVVGBOYFHYRMJR-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250941 1363713540 /nfs/dbraw/zinc/71/35/40/1363713540.db2.gz DEJZQKNETLBKRS-IRXDYDNUSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250941 1363713544 /nfs/dbraw/zinc/71/35/44/1363713544.db2.gz DEJZQKNETLBKRS-IRXDYDNUSA-N 2 2 334.508 3.097 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251189 1363713736 /nfs/dbraw/zinc/71/37/36/1363713736.db2.gz HJQPFSBDPRNMGB-IRXDYDNUSA-N 2 2 334.508 3.241 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251189 1363713743 /nfs/dbraw/zinc/71/37/43/1363713743.db2.gz HJQPFSBDPRNMGB-IRXDYDNUSA-N 2 2 334.508 3.241 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099323908 1363749951 /nfs/dbraw/zinc/74/99/51/1363749951.db2.gz CPFBYIWCZGLJRO-GOSISDBHSA-N 2 2 348.535 3.150 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099323908 1363749952 /nfs/dbraw/zinc/74/99/52/1363749952.db2.gz CPFBYIWCZGLJRO-GOSISDBHSA-N 2 2 348.535 3.150 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099364184 1363774405 /nfs/dbraw/zinc/77/44/05/1363774405.db2.gz INUZBPSMWFJKLE-HPFMTEOYSA-N 2 2 346.519 3.236 20 0 EGADLP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099364184 1363774408 /nfs/dbraw/zinc/77/44/08/1363774408.db2.gz INUZBPSMWFJKLE-HPFMTEOYSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001101590544 1364641161 /nfs/dbraw/zinc/64/11/61/1364641161.db2.gz YCASLRLWPCQGMZ-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290462 1365475752 /nfs/dbraw/zinc/47/57/52/1365475752.db2.gz QQFUAVRXDPSNHX-GUDVDZBRSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290462 1365475754 /nfs/dbraw/zinc/47/57/54/1365475754.db2.gz QQFUAVRXDPSNHX-GUDVDZBRSA-N 2 2 348.535 3.030 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517530 1365608396 /nfs/dbraw/zinc/60/83/96/1365608396.db2.gz RDWCGWNERZXHIJ-RCCFBDPRSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517530 1365608398 /nfs/dbraw/zinc/60/83/98/1365608398.db2.gz RDWCGWNERZXHIJ-RCCFBDPRSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517530 1365608400 /nfs/dbraw/zinc/60/84/00/1365608400.db2.gz RDWCGWNERZXHIJ-RCCFBDPRSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517530 1365608403 /nfs/dbraw/zinc/60/84/03/1365608403.db2.gz RDWCGWNERZXHIJ-RCCFBDPRSA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570481 1366537679 /nfs/dbraw/zinc/53/76/79/1366537679.db2.gz RNGHJKOCHXKZTI-IRXDYDNUSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570480 1366537802 /nfs/dbraw/zinc/53/78/02/1366537802.db2.gz RNGHJKOCHXKZTI-IAGOWNOFSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001324944035 1387838910 /nfs/dbraw/zinc/83/89/10/1387838910.db2.gz BMLGBVIVRQYOSY-IRXDYDNUSA-N 2 2 340.471 3.172 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)(C)C)CC2 ZINC001107621089 1367078111 /nfs/dbraw/zinc/07/81/11/1367078111.db2.gz JCCMHFSRKNQVEE-YLJYHZDGSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)(C)C)CC2 ZINC001107621089 1367078115 /nfs/dbraw/zinc/07/81/15/1367078115.db2.gz JCCMHFSRKNQVEE-YLJYHZDGSA-N 2 2 346.519 3.058 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109449184 1367128052 /nfs/dbraw/zinc/12/80/52/1367128052.db2.gz JFVLTOHJDDHOCZ-AYBZRNKSSA-N 2 2 340.471 3.478 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109449184 1367128057 /nfs/dbraw/zinc/12/80/57/1367128057.db2.gz JFVLTOHJDDHOCZ-AYBZRNKSSA-N 2 2 340.471 3.478 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670750 1367523823 /nfs/dbraw/zinc/52/38/23/1367523823.db2.gz DCOOUDBHSNSKAH-ROISDPOOSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717764 1367946545 /nfs/dbraw/zinc/94/65/45/1367946545.db2.gz GYHJATFPOMVOSU-PMWKGVIZSA-N 2 2 338.455 3.254 20 0 EGADLP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717764 1367946548 /nfs/dbraw/zinc/94/65/48/1367946548.db2.gz GYHJATFPOMVOSU-PMWKGVIZSA-N 2 2 338.455 3.254 20 0 EGADLP CC(C)CCC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287378 1368584146 /nfs/dbraw/zinc/58/41/46/1368584146.db2.gz AEWQMEZBPGXLRU-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CC(C)CCC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287378 1368584150 /nfs/dbraw/zinc/58/41/50/1368584150.db2.gz AEWQMEZBPGXLRU-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CC(C)c1cnc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)s1 ZINC001199822900 1369277403 /nfs/dbraw/zinc/27/74/03/1369277403.db2.gz KOQIHDMFZADWKD-UHFFFAOYSA-N 2 2 333.501 3.497 20 0 EGADLP COCC(C)(C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001200023011 1369303370 /nfs/dbraw/zinc/30/33/70/1369303370.db2.gz KVYCVAACMNZTNO-UHFFFAOYSA-N 2 2 337.851 3.130 20 0 EGADLP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001200863733 1369440515 /nfs/dbraw/zinc/44/05/15/1369440515.db2.gz IAJZMTSGSHRXSQ-IBGZPJMESA-N 2 2 332.488 3.066 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186748308 1388003895 /nfs/dbraw/zinc/00/38/95/1388003895.db2.gz QMDRGQUQMYSJPV-OAJJDEHYSA-N 2 2 338.455 3.033 20 0 EGADLP C[NH+]1CCC(COc2ccc(F)cc2Nc2ccc(N)[nH+]c2)CC1 ZINC001201295790 1369512699 /nfs/dbraw/zinc/51/26/99/1369512699.db2.gz RMGYDQDZGOJKDF-UHFFFAOYSA-N 2 2 330.407 3.267 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001113686713 1369565122 /nfs/dbraw/zinc/56/51/22/1369565122.db2.gz RSILCOUWSDFWLM-GOSISDBHSA-N 2 2 345.531 3.355 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001113686713 1369565126 /nfs/dbraw/zinc/56/51/26/1369565126.db2.gz RSILCOUWSDFWLM-GOSISDBHSA-N 2 2 345.531 3.355 20 0 EGADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CCCC4)CC[C@@H]3C2)cs1 ZINC001202167866 1369706133 /nfs/dbraw/zinc/70/61/33/1369706133.db2.gz XAJAZVJRMAJTOP-IEBWSBKVSA-N 2 2 349.544 3.164 20 0 EGADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CCCC4)CC[C@@H]3C2)cs1 ZINC001202167866 1369706136 /nfs/dbraw/zinc/70/61/36/1369706136.db2.gz XAJAZVJRMAJTOP-IEBWSBKVSA-N 2 2 349.544 3.164 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CCCC4)CC[C@@H]3C2)cs1 ZINC001202167866 1369706140 /nfs/dbraw/zinc/70/61/40/1369706140.db2.gz XAJAZVJRMAJTOP-IEBWSBKVSA-N 2 2 349.544 3.164 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CCCC4)CC[C@@H]3C2)cs1 ZINC001202167866 1369706142 /nfs/dbraw/zinc/70/61/42/1369706142.db2.gz XAJAZVJRMAJTOP-IEBWSBKVSA-N 2 2 349.544 3.164 20 0 EGADLP CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001202930883 1369928988 /nfs/dbraw/zinc/92/89/88/1369928988.db2.gz ZTRPVCFRDPBFPO-SJORKVTESA-N 2 2 340.471 3.073 20 0 EGADLP CC[C@H](C)C[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001203171424 1370008807 /nfs/dbraw/zinc/00/88/07/1370008807.db2.gz IJHXFYINALOTDM-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)o1 ZINC001203187126 1370015823 /nfs/dbraw/zinc/01/58/23/1370015823.db2.gz FNBIJOZYXMXNOH-OAHLLOKOSA-N 2 2 347.484 3.054 20 0 EGADLP CCc1[nH]c(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccc(C)o2)c(C)[nH+]1 ZINC001203235872 1370034319 /nfs/dbraw/zinc/03/43/19/1370034319.db2.gz ADKNCFPWVQUSDO-ZWKOTPCHSA-N 2 2 328.460 3.031 20 0 EGADLP CCc1[nH]c(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccc(C)o2)c(C)[nH+]1 ZINC001203235872 1370034324 /nfs/dbraw/zinc/03/43/24/1370034324.db2.gz ADKNCFPWVQUSDO-ZWKOTPCHSA-N 2 2 328.460 3.031 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(Cl)cccc1Cl ZINC001203418589 1370118143 /nfs/dbraw/zinc/11/81/43/1370118143.db2.gz HRXRBOCJOCTXLU-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(Cl)cccc1Cl ZINC001203418589 1370118145 /nfs/dbraw/zinc/11/81/45/1370118145.db2.gz HRXRBOCJOCTXLU-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001203768606 1370256990 /nfs/dbraw/zinc/25/69/90/1370256990.db2.gz PWYPXUVEDMMPCA-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815863 1370274802 /nfs/dbraw/zinc/27/48/02/1370274802.db2.gz RLMKEYTVJGOWEQ-ZWKOTPCHSA-N 2 2 346.519 3.117 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961562 1370332068 /nfs/dbraw/zinc/33/20/68/1370332068.db2.gz GKAUTAHFNZRPAG-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961562 1370332073 /nfs/dbraw/zinc/33/20/73/1370332073.db2.gz GKAUTAHFNZRPAG-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961562 1370332080 /nfs/dbraw/zinc/33/20/80/1370332080.db2.gz GKAUTAHFNZRPAG-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001203961562 1370332085 /nfs/dbraw/zinc/33/20/85/1370332085.db2.gz GKAUTAHFNZRPAG-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001204045061 1370358177 /nfs/dbraw/zinc/35/81/77/1370358177.db2.gz PCSWFTQFCPAPOJ-QZTJIDSGSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204509817 1370498305 /nfs/dbraw/zinc/49/83/05/1370498305.db2.gz QELMCWFCGYHANO-ROUUACIJSA-N 2 2 325.431 3.093 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204947513 1370613046 /nfs/dbraw/zinc/61/30/46/1370613046.db2.gz ZTIOOHUGUZMWFW-OAQYLSRUSA-N 2 2 338.451 3.453 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[C@@](C)([NH3+])C3)c2)cc1 ZINC001204947513 1370613051 /nfs/dbraw/zinc/61/30/51/1370613051.db2.gz ZTIOOHUGUZMWFW-OAQYLSRUSA-N 2 2 338.451 3.453 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115655890 1370641596 /nfs/dbraw/zinc/64/15/96/1370641596.db2.gz PJAQWKGZLIGPDD-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130858 1370659234 /nfs/dbraw/zinc/65/92/34/1370659234.db2.gz MRSOZWGCUIRDLH-ZDUSSCGKSA-N 2 2 327.266 3.079 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205130858 1370659237 /nfs/dbraw/zinc/65/92/37/1370659237.db2.gz MRSOZWGCUIRDLH-ZDUSSCGKSA-N 2 2 327.266 3.079 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205303966 1370713685 /nfs/dbraw/zinc/71/36/85/1370713685.db2.gz LWAKMAQMILFEBN-QWRGUYRKSA-N 2 2 331.323 3.490 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205303966 1370713687 /nfs/dbraw/zinc/71/36/87/1370713687.db2.gz LWAKMAQMILFEBN-QWRGUYRKSA-N 2 2 331.323 3.490 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC001205304252 1370714080 /nfs/dbraw/zinc/71/40/80/1370714080.db2.gz NIOCFZRDGTWSHJ-GWCFXTLKSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC001205304252 1370714083 /nfs/dbraw/zinc/71/40/83/1370714083.db2.gz NIOCFZRDGTWSHJ-GWCFXTLKSA-N 2 2 329.257 3.313 20 0 EGADLP CC[C@@H]([NH3+])C[NH+]1CCC(Oc2ccccc2OC(F)(F)F)CC1 ZINC001205340215 1370726761 /nfs/dbraw/zinc/72/67/61/1370726761.db2.gz RSWLNROFJRRKKZ-GFCCVEGCSA-N 2 2 332.366 3.166 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749141 1370729980 /nfs/dbraw/zinc/72/99/80/1370729980.db2.gz NRRVDDQUWINXLR-INIZCTEOSA-N 2 2 334.508 3.043 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765990 1370750837 /nfs/dbraw/zinc/75/08/37/1370750837.db2.gz OYGVZNAJZJNJCW-HZPDHXFCSA-N 2 2 334.508 3.043 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765990 1370750844 /nfs/dbraw/zinc/75/08/44/1370750844.db2.gz OYGVZNAJZJNJCW-HZPDHXFCSA-N 2 2 334.508 3.043 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115767522 1370751642 /nfs/dbraw/zinc/75/16/42/1370751642.db2.gz SJPSTVGGPPPYJY-INIZCTEOSA-N 2 2 334.508 3.043 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115767522 1370751645 /nfs/dbraw/zinc/75/16/45/1370751645.db2.gz SJPSTVGGPPPYJY-INIZCTEOSA-N 2 2 334.508 3.043 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487347 1370770294 /nfs/dbraw/zinc/77/02/94/1370770294.db2.gz BPXCJMKFWUDYKC-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487347 1370770299 /nfs/dbraw/zinc/77/02/99/1370770299.db2.gz BPXCJMKFWUDYKC-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001115790583 1370772705 /nfs/dbraw/zinc/77/27/05/1370772705.db2.gz UJRHUWXOIJKZGC-UHFFFAOYSA-N 2 2 344.503 3.251 20 0 EGADLP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500406 1370773557 /nfs/dbraw/zinc/77/35/57/1370773557.db2.gz UYQOBSQJEFVMCQ-HKUYNNGSSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500351 1370773619 /nfs/dbraw/zinc/77/36/19/1370773619.db2.gz RSXYBGIIVALFGG-LJQANCHMSA-N 2 2 346.519 3.265 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cs1 ZINC001325993623 1388099931 /nfs/dbraw/zinc/09/99/31/1388099931.db2.gz ALERXSIGWIVOTR-HNNXBMFYSA-N 2 2 345.468 3.315 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cs1 ZINC001325993623 1388099933 /nfs/dbraw/zinc/09/99/33/1388099933.db2.gz ALERXSIGWIVOTR-HNNXBMFYSA-N 2 2 345.468 3.315 20 0 EGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901332 1370904566 /nfs/dbraw/zinc/90/45/66/1370904566.db2.gz CNYPSTWCBCGAAB-OLZOCXBDSA-N 2 2 342.940 3.346 20 0 EGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901332 1370904569 /nfs/dbraw/zinc/90/45/69/1370904569.db2.gz CNYPSTWCBCGAAB-OLZOCXBDSA-N 2 2 342.940 3.346 20 0 EGADLP C[NH+](C)Cc1c(F)cc(-c2cccc(N3CC[NH2+]CC3)c2)cc1F ZINC001205936673 1370916565 /nfs/dbraw/zinc/91/65/65/1370916565.db2.gz QHVNRXWAWSNGJF-UHFFFAOYSA-N 2 2 331.410 3.103 20 0 EGADLP [NH3+][C@H]1CCCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001205939534 1370918277 /nfs/dbraw/zinc/91/82/77/1370918277.db2.gz RDDYOGNIBFJTBX-HNNXBMFYSA-N 2 2 338.377 3.409 20 0 EGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001205939534 1370918285 /nfs/dbraw/zinc/91/82/85/1370918285.db2.gz RDDYOGNIBFJTBX-HNNXBMFYSA-N 2 2 338.377 3.409 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026248 1370941825 /nfs/dbraw/zinc/94/18/25/1370941825.db2.gz RCAVIFBHFIKSQJ-ZBFHGGJFSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@H]1C[NH3+] ZINC001206026248 1370941828 /nfs/dbraw/zinc/94/18/28/1370941828.db2.gz RCAVIFBHFIKSQJ-ZBFHGGJFSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001206286292 1371013400 /nfs/dbraw/zinc/01/34/00/1371013400.db2.gz RBYKBIREWATJCW-LBPRGKRZSA-N 2 2 338.377 3.137 20 0 EGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001206286292 1371013405 /nfs/dbraw/zinc/01/34/05/1371013405.db2.gz RBYKBIREWATJCW-LBPRGKRZSA-N 2 2 338.377 3.137 20 0 EGADLP Clc1cccc(CC2CC[NH+](Cc3cnc4n3CC[NH2+]C4)CC2)c1 ZINC001206711022 1371142001 /nfs/dbraw/zinc/14/20/01/1371142001.db2.gz CYRKETPHZCJCMT-UHFFFAOYSA-N 2 2 344.890 3.094 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)cc1F ZINC001206806121 1371174420 /nfs/dbraw/zinc/17/44/20/1371174420.db2.gz FKFDNUPYNRHOML-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(Br)cc1F ZINC001206806121 1371174422 /nfs/dbraw/zinc/17/44/22/1371174422.db2.gz FKFDNUPYNRHOML-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)cs2)cc1 ZINC001206806712 1371174938 /nfs/dbraw/zinc/17/49/38/1371174938.db2.gz HFINFMLYHMJLHL-KGLIPLIRSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)cs2)cc1 ZINC001206806712 1371174942 /nfs/dbraw/zinc/17/49/42/1371174942.db2.gz HFINFMLYHMJLHL-KGLIPLIRSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206806146 1371175010 /nfs/dbraw/zinc/17/50/10/1371175010.db2.gz FUFLUQHSSKAFOU-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206806146 1371175013 /nfs/dbraw/zinc/17/50/13/1371175013.db2.gz FUFLUQHSSKAFOU-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206809492 1371175944 /nfs/dbraw/zinc/17/59/44/1371175944.db2.gz LSTGFQRITPHWBE-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206809492 1371175947 /nfs/dbraw/zinc/17/59/47/1371175947.db2.gz LSTGFQRITPHWBE-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2[nH+]cc3ccccn32)c1 ZINC001207050646 1371277486 /nfs/dbraw/zinc/27/74/86/1371277486.db2.gz DEJPYZKZEZDBNS-CALCHBBNSA-N 2 2 338.480 3.245 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2[nH+]cc3ccccn32)c1 ZINC001207050646 1371277491 /nfs/dbraw/zinc/27/74/91/1371277491.db2.gz DEJPYZKZEZDBNS-CALCHBBNSA-N 2 2 338.480 3.245 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001207063353 1371283805 /nfs/dbraw/zinc/28/38/05/1371283805.db2.gz UJEVMKXEHHNUJM-UHFFFAOYSA-N 2 2 338.565 3.081 20 0 EGADLP Cc1cc2ccccc2nc1N1CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207282787 1371349486 /nfs/dbraw/zinc/34/94/86/1371349486.db2.gz OKZBVPDWSWWGDD-UHFFFAOYSA-N 2 2 340.515 3.253 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293361 1371352453 /nfs/dbraw/zinc/35/24/53/1371352453.db2.gz IGTBRGFTLMHHAF-UHFFFAOYSA-N 3 2 326.488 3.117 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293361 1371352457 /nfs/dbraw/zinc/35/24/57/1371352457.db2.gz IGTBRGFTLMHHAF-UHFFFAOYSA-N 3 2 326.488 3.117 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248775 1371513947 /nfs/dbraw/zinc/51/39/47/1371513947.db2.gz UGQKIJNZUVATRR-PLNGDYQASA-N 2 2 332.492 3.038 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164200 1371614732 /nfs/dbraw/zinc/61/47/32/1371614732.db2.gz ZCVXUVLLVUWLLO-JKSUJKDBSA-N 2 2 326.444 3.270 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164200 1371614735 /nfs/dbraw/zinc/61/47/35/1371614735.db2.gz ZCVXUVLLVUWLLO-JKSUJKDBSA-N 2 2 326.444 3.270 20 0 EGADLP C[NH+](C)CC1(CN2CC[NH+](Cc3ccccc3F)CC2)CCCC1 ZINC001208193041 1371631723 /nfs/dbraw/zinc/63/17/23/1371631723.db2.gz ZFQYBZAYBDBFHF-UHFFFAOYSA-N 2 2 333.495 3.065 20 0 EGADLP C[NH+](C)CC1(C[NH+]2CCN(Cc3ccccc3F)CC2)CCCC1 ZINC001208193041 1371631740 /nfs/dbraw/zinc/63/17/40/1371631740.db2.gz ZFQYBZAYBDBFHF-UHFFFAOYSA-N 2 2 333.495 3.065 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387079 1371746756 /nfs/dbraw/zinc/74/67/56/1371746756.db2.gz MRZNXHKTLQBMPZ-CQQBRXBZSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001208387916 1371748141 /nfs/dbraw/zinc/74/81/41/1371748141.db2.gz ZJEGGVRHXKRJDH-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP CCc1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)[nH+]c1 ZINC001120815854 1371770414 /nfs/dbraw/zinc/77/04/14/1371770414.db2.gz DLTAEIVWOFDADW-UHFFFAOYSA-N 2 2 325.456 3.281 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559128 1371817113 /nfs/dbraw/zinc/81/71/13/1371817113.db2.gz DJNJSOSPUHEEBA-KNQZRCRRSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559128 1371817117 /nfs/dbraw/zinc/81/71/17/1371817117.db2.gz DJNJSOSPUHEEBA-KNQZRCRRSA-N 2 2 344.503 3.013 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208604786 1371838657 /nfs/dbraw/zinc/83/86/57/1371838657.db2.gz VNVFIGYJOAFLRV-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208604786 1371838659 /nfs/dbraw/zinc/83/86/59/1371838659.db2.gz VNVFIGYJOAFLRV-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604786 1371838662 /nfs/dbraw/zinc/83/86/62/1371838662.db2.gz VNVFIGYJOAFLRV-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208604786 1371838664 /nfs/dbraw/zinc/83/86/64/1371838664.db2.gz VNVFIGYJOAFLRV-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([NH2+]CCCOC(C)C)C2)c(C)[nH+]1 ZINC001208650284 1371851922 /nfs/dbraw/zinc/85/19/22/1371851922.db2.gz XGISPKJWTXAWMX-SFHVURJKSA-N 2 2 347.503 3.016 20 0 EGADLP CC1(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CCCCC1 ZINC001208901005 1371938568 /nfs/dbraw/zinc/93/85/68/1371938568.db2.gz ZRQJLMKUIIVODV-UHFFFAOYSA-N 2 2 345.535 3.093 20 0 EGADLP CC1(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CCCCC1 ZINC001208901005 1371938570 /nfs/dbraw/zinc/93/85/70/1371938570.db2.gz ZRQJLMKUIIVODV-UHFFFAOYSA-N 2 2 345.535 3.093 20 0 EGADLP C[N@H+](CCOC(=O)c1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209048960 1371982712 /nfs/dbraw/zinc/98/27/12/1371982712.db2.gz TXBBXVPLXQXHST-UHFFFAOYSA-N 2 2 335.407 3.161 20 0 EGADLP C[N@@H+](CCOC(=O)c1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209048960 1371982715 /nfs/dbraw/zinc/98/27/15/1371982715.db2.gz TXBBXVPLXQXHST-UHFFFAOYSA-N 2 2 335.407 3.161 20 0 EGADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CCc2cccs2)CC3)n1 ZINC001209224705 1372043361 /nfs/dbraw/zinc/04/33/61/1372043361.db2.gz KLRNLUKSOHMRLF-UHFFFAOYSA-N 2 2 344.528 3.155 20 0 EGADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CCc2cccs2)CC3)n1 ZINC001209224705 1372043364 /nfs/dbraw/zinc/04/33/64/1372043364.db2.gz KLRNLUKSOHMRLF-UHFFFAOYSA-N 2 2 344.528 3.155 20 0 EGADLP COC1CC[NH+](C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)CC1 ZINC001209245314 1372049190 /nfs/dbraw/zinc/04/91/90/1372049190.db2.gz FLJDUEVKZZRXET-UHFFFAOYSA-N 2 2 338.442 3.083 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209357391 1372077265 /nfs/dbraw/zinc/07/72/65/1372077265.db2.gz NYPOAKRHWDMMDY-QGZVFWFLSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001209357391 1372077270 /nfs/dbraw/zinc/07/72/70/1372077270.db2.gz NYPOAKRHWDMMDY-QGZVFWFLSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209357391 1372077276 /nfs/dbraw/zinc/07/72/76/1372077276.db2.gz NYPOAKRHWDMMDY-QGZVFWFLSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NCCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209357391 1372077281 /nfs/dbraw/zinc/07/72/81/1372077281.db2.gz NYPOAKRHWDMMDY-QGZVFWFLSA-N 2 2 339.524 3.242 20 0 EGADLP Cc1csc([C@H]2C[C@@H]3CC[N@H+](CCC[NH+]4CCCCC4)C[C@H]3O2)n1 ZINC001209450680 1372109068 /nfs/dbraw/zinc/10/90/68/1372109068.db2.gz AKBMAXKPRZRKPA-RCCFBDPRSA-N 2 2 349.544 3.479 20 0 EGADLP Cc1csc([C@H]2C[C@@H]3CC[N@@H+](CCC[NH+]4CCCCC4)C[C@H]3O2)n1 ZINC001209450680 1372109072 /nfs/dbraw/zinc/10/90/72/1372109072.db2.gz AKBMAXKPRZRKPA-RCCFBDPRSA-N 2 2 349.544 3.479 20 0 EGADLP COC(=O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC001209452896 1372110223 /nfs/dbraw/zinc/11/02/23/1372110223.db2.gz UXCFKWSWWMOZFG-VQTJNVASSA-N 2 2 344.499 3.489 20 0 EGADLP COC(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC001209452896 1372110225 /nfs/dbraw/zinc/11/02/25/1372110225.db2.gz UXCFKWSWWMOZFG-VQTJNVASSA-N 2 2 344.499 3.489 20 0 EGADLP Cn1c2ccccc2c(C[N@@H+]2CCO[C@H](C[NH3+])C2)c1-c1ccccc1 ZINC001210399993 1372343272 /nfs/dbraw/zinc/34/32/72/1372343272.db2.gz OQYDHKJKJPLMKU-QGZVFWFLSA-N 2 2 335.451 3.005 20 0 EGADLP Cn1c2ccccc2c(C[N@H+]2CCO[C@H](C[NH3+])C2)c1-c1ccccc1 ZINC001210399993 1372343275 /nfs/dbraw/zinc/34/32/75/1372343275.db2.gz OQYDHKJKJPLMKU-QGZVFWFLSA-N 2 2 335.451 3.005 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)OCCCc2c[nH+]cn2C)cc1)C(C)C ZINC001123066086 1372372977 /nfs/dbraw/zinc/37/29/77/1372372977.db2.gz NPJZXAQVOGGTFE-UHFFFAOYSA-N 2 2 343.471 3.440 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)OCCCc2c[nH+]cn2C)cc1)C(C)C ZINC001123066086 1372372981 /nfs/dbraw/zinc/37/29/81/1372372981.db2.gz NPJZXAQVOGGTFE-UHFFFAOYSA-N 2 2 343.471 3.440 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3[nH+]cccc3N3CCCC3)c2)CC1 ZINC001212712785 1372758952 /nfs/dbraw/zinc/75/89/52/1372758952.db2.gz CKHIXCYQSKRQQT-UHFFFAOYSA-N 2 2 337.471 3.177 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC[C@@H]3CCC[C@H](C)C3)ccn12 ZINC001127298781 1373113206 /nfs/dbraw/zinc/11/32/06/1373113206.db2.gz FYJPBRCXEISDIV-RDJZCZTQSA-N 2 2 342.487 3.179 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132338 1373175508 /nfs/dbraw/zinc/17/55/08/1373175508.db2.gz BNKOPJCPZABHRX-BRWVUGGUSA-N 2 2 342.487 3.067 20 0 EGADLP C[NH+](C)Cc1cccc(Nc2ccnc(-c3cc(N)cc[nH+]3)c2)c1F ZINC001216227979 1373285723 /nfs/dbraw/zinc/28/57/23/1373285723.db2.gz OYWDUJDCEIBGDU-UHFFFAOYSA-N 2 2 337.402 3.092 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC001129902729 1373433321 /nfs/dbraw/zinc/43/33/21/1373433321.db2.gz APAAZNAJORSKQF-GDIGMMSISA-N 2 2 348.450 3.133 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc2ccccc21 ZINC001129902729 1373433324 /nfs/dbraw/zinc/43/33/24/1373433324.db2.gz APAAZNAJORSKQF-GDIGMMSISA-N 2 2 348.450 3.133 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001130006506 1373445573 /nfs/dbraw/zinc/44/55/73/1373445573.db2.gz JQIDNWSNHDDLSS-QAPCUYQASA-N 2 2 346.450 3.076 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1 ZINC001218525374 1373630327 /nfs/dbraw/zinc/63/03/27/1373630327.db2.gz YQYHACHCVWDIFV-OAHLLOKOSA-N 2 2 338.436 3.021 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640009 1373785233 /nfs/dbraw/zinc/78/52/33/1373785233.db2.gz AZOPQPGMGVJMEH-QZTJIDSGSA-N 2 2 346.519 3.040 20 0 EGADLP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001221640009 1373785238 /nfs/dbraw/zinc/78/52/38/1373785238.db2.gz AZOPQPGMGVJMEH-QZTJIDSGSA-N 2 2 346.519 3.040 20 0 EGADLP CCCCCCc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)s1 ZINC001222514970 1373850974 /nfs/dbraw/zinc/85/09/74/1373850974.db2.gz GHQNGTYHMCNINF-OALUTQOASA-N 2 2 335.561 3.397 20 0 EGADLP CCCCCCc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)s1 ZINC001222514970 1373850975 /nfs/dbraw/zinc/85/09/75/1373850975.db2.gz GHQNGTYHMCNINF-OALUTQOASA-N 2 2 335.561 3.397 20 0 EGADLP Cc1ccc(N2CCC[C@@H](Oc3ccc(C[NH+](C)C)cc3)C2)[nH+]c1 ZINC001225332301 1375105004 /nfs/dbraw/zinc/10/50/04/1375105004.db2.gz JVRUSSCHFGZXHU-LJQANCHMSA-N 2 2 325.456 3.499 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CCCCCF ZINC001132132429 1375162527 /nfs/dbraw/zinc/16/25/27/1375162527.db2.gz QVEKBSQGOHQYOU-HOCLYGCPSA-N 2 2 346.450 3.285 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226885926 1375351967 /nfs/dbraw/zinc/35/19/67/1375351967.db2.gz QXQNJPDAJYXIHA-QBPKDAKJSA-N 2 2 346.519 3.357 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885926 1375351971 /nfs/dbraw/zinc/35/19/71/1375351971.db2.gz QXQNJPDAJYXIHA-QBPKDAKJSA-N 2 2 346.519 3.357 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458180 1375401473 /nfs/dbraw/zinc/40/14/73/1375401473.db2.gz QXMYEQAUUSPTDD-IKSUFZCESA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458180 1375401477 /nfs/dbraw/zinc/40/14/77/1375401477.db2.gz QXMYEQAUUSPTDD-IKSUFZCESA-N 2 2 346.519 3.068 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC1CCCC1 ZINC001132546726 1375453759 /nfs/dbraw/zinc/45/37/59/1375453759.db2.gz QQLKYFUVBGIFMN-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC1CCCC1 ZINC001132546726 1375453762 /nfs/dbraw/zinc/45/37/62/1375453762.db2.gz QQLKYFUVBGIFMN-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922732 1375491545 /nfs/dbraw/zinc/49/15/45/1375491545.db2.gz FHLJLXNLUBSUER-SFHVURJKSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132983446 1375693689 /nfs/dbraw/zinc/69/36/89/1375693689.db2.gz ZIEKCEKHBRFJDN-SJORKVTESA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228853939 1375694113 /nfs/dbraw/zinc/69/41/13/1375694113.db2.gz TVSPCOIPCPWISO-KZNAEPCWSA-N 2 2 334.508 3.287 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001229384634 1375824818 /nfs/dbraw/zinc/82/48/18/1375824818.db2.gz IAFJLKNTFYKYEP-KRWDZBQOSA-N 2 2 344.503 3.305 20 0 EGADLP CC1CCC(C[NH+]2CCC(NC(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001230434390 1376029331 /nfs/dbraw/zinc/02/93/31/1376029331.db2.gz GZRXFDYNDGDKHR-UHFFFAOYSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]Cc1ccccc1Cl ZINC001134230389 1376424758 /nfs/dbraw/zinc/42/47/58/1376424758.db2.gz XJCBMUXHOSAVJJ-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP COc1cc(O)cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001232805875 1376518001 /nfs/dbraw/zinc/51/80/01/1376518001.db2.gz SWNOZGWKHZNWQM-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COc1cc(O)cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001232805875 1376518011 /nfs/dbraw/zinc/51/80/11/1376518011.db2.gz SWNOZGWKHZNWQM-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4cccnc4s3)CC2)c1 ZINC001233349992 1376625225 /nfs/dbraw/zinc/62/52/25/1376625225.db2.gz RCUGDRQIUZNNDF-UHFFFAOYSA-N 2 2 340.452 3.022 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001134729127 1376682507 /nfs/dbraw/zinc/68/25/07/1376682507.db2.gz FUQVONOHYXNYEY-LSDHHAIUSA-N 2 2 336.524 3.236 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739737 1376688685 /nfs/dbraw/zinc/68/86/85/1376688685.db2.gz JHADPJLRETYTNB-QWHCGFSZSA-N 2 2 342.468 3.311 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741267 1376691317 /nfs/dbraw/zinc/69/13/17/1376691317.db2.gz WHMLDNNLVVGGGA-CABCVRRESA-N 2 2 330.476 3.486 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964074 1376813991 /nfs/dbraw/zinc/81/39/91/1376813991.db2.gz DYLIHTKNPPWMAC-CVEARBPZSA-N 2 2 330.476 3.401 20 0 EGADLP Brc1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033061 1376832929 /nfs/dbraw/zinc/83/29/29/1376832929.db2.gz OCBQQPQQNURYHI-MRXNPFEDSA-N 2 2 334.261 3.116 20 0 EGADLP Brc1[nH]c2ccccc2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235033061 1376832930 /nfs/dbraw/zinc/83/29/30/1376832930.db2.gz OCBQQPQQNURYHI-MRXNPFEDSA-N 2 2 334.261 3.116 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235032992 1376833605 /nfs/dbraw/zinc/83/36/05/1376833605.db2.gz NRCCPMQBBMHDSV-AWEZNQCLSA-N 2 2 334.769 3.424 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235032992 1376833612 /nfs/dbraw/zinc/83/36/12/1376833612.db2.gz NRCCPMQBBMHDSV-AWEZNQCLSA-N 2 2 334.769 3.424 20 0 EGADLP CC(C)(C)c1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc(C(C)(C)C)c1 ZINC001235051691 1376843733 /nfs/dbraw/zinc/84/37/33/1376843733.db2.gz BMHSXIMMWQNEHF-JOCHJYFZSA-N 2 2 343.559 3.419 20 0 EGADLP CC(C)(C)c1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc(C(C)(C)C)c1 ZINC001235051691 1376843738 /nfs/dbraw/zinc/84/37/38/1376843738.db2.gz BMHSXIMMWQNEHF-JOCHJYFZSA-N 2 2 343.559 3.419 20 0 EGADLP Fc1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235116808 1376849968 /nfs/dbraw/zinc/84/99/68/1376849968.db2.gz ZJESFTGJLSMWMP-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235116808 1376849976 /nfs/dbraw/zinc/84/99/76/1376849976.db2.gz ZJESFTGJLSMWMP-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccccn2)c(C)[nH+]1 ZINC001135039207 1376862467 /nfs/dbraw/zinc/86/24/67/1376862467.db2.gz VDGQJLYHDLHKDD-GDBMZVCRSA-N 2 2 340.471 3.089 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632731 1376880793 /nfs/dbraw/zinc/88/07/93/1376880793.db2.gz KBCXRLDYSRBKSZ-RBUKOAKNSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632731 1376880795 /nfs/dbraw/zinc/88/07/95/1376880795.db2.gz KBCXRLDYSRBKSZ-RBUKOAKNSA-N 2 2 348.535 3.439 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098421 1376896930 /nfs/dbraw/zinc/89/69/30/1376896930.db2.gz XQGGBWZTSWMWGH-HZPDHXFCSA-N 2 2 340.471 3.159 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001135136509 1376925818 /nfs/dbraw/zinc/92/58/18/1376925818.db2.gz JCDUFOWCZXWKJX-IAGOWNOFSA-N 2 2 346.519 3.117 20 0 EGADLP COCC[N@H+](CCCCCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236331752 1376950301 /nfs/dbraw/zinc/95/03/01/1376950301.db2.gz YZIYQYOFFCDGOS-FQEVSTJZSA-N 2 2 334.504 3.074 20 0 EGADLP COCC[N@@H+](CCCCCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001236331752 1376950303 /nfs/dbraw/zinc/95/03/03/1376950303.db2.gz YZIYQYOFFCDGOS-FQEVSTJZSA-N 2 2 334.504 3.074 20 0 EGADLP Clc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)o2)cc1 ZINC001237142035 1376975861 /nfs/dbraw/zinc/97/58/61/1376975861.db2.gz LFFMXPZKAZOHHZ-GOSISDBHSA-N 2 2 332.831 3.164 20 0 EGADLP Clc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)o2)cc1 ZINC001237142035 1376975875 /nfs/dbraw/zinc/97/58/75/1376975875.db2.gz LFFMXPZKAZOHHZ-GOSISDBHSA-N 2 2 332.831 3.164 20 0 EGADLP CC[C@@H]1CC([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)C[C@@H](CC)[NH2+]1 ZINC001246380961 1377051462 /nfs/dbraw/zinc/05/14/62/1377051462.db2.gz LJQNZPRBXUHCTD-QZTJIDSGSA-N 3 2 347.522 3.389 20 0 EGADLP CC(C)[C@H](O)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001253759495 1377100101 /nfs/dbraw/zinc/10/01/01/1377100101.db2.gz DYHRGKFXKYELGI-GOSISDBHSA-N 2 2 325.412 3.010 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC001264007111 1377138995 /nfs/dbraw/zinc/13/89/95/1377138995.db2.gz YMHRBCVIFHXFGJ-APWZRJJASA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840141 1377228457 /nfs/dbraw/zinc/22/84/57/1377228457.db2.gz DBCURLDJVYQOSI-HOTGVXAUSA-N 2 2 328.460 3.015 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364506 1377296762 /nfs/dbraw/zinc/29/67/62/1377296762.db2.gz WZFBFRXQHQONSV-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364506 1377296764 /nfs/dbraw/zinc/29/67/64/1377296764.db2.gz WZFBFRXQHQONSV-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP COc1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1C ZINC001137001687 1377454703 /nfs/dbraw/zinc/45/47/03/1377454703.db2.gz VBONPFAFUTYNIX-IAGOWNOFSA-N 2 2 343.496 3.024 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC001137102406 1377478065 /nfs/dbraw/zinc/47/80/65/1377478065.db2.gz UJFKPNSINDFONE-GOSISDBHSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC001137102406 1377478066 /nfs/dbraw/zinc/47/80/66/1377478066.db2.gz UJFKPNSINDFONE-GOSISDBHSA-N 2 2 334.423 3.229 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127774 1377482894 /nfs/dbraw/zinc/48/28/94/1377482894.db2.gz MOYITSZMIHFNSL-ZTFGCOKTSA-N 2 2 330.501 3.204 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127774 1377482896 /nfs/dbraw/zinc/48/28/96/1377482896.db2.gz MOYITSZMIHFNSL-ZTFGCOKTSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127774 1377482898 /nfs/dbraw/zinc/48/28/98/1377482898.db2.gz MOYITSZMIHFNSL-ZTFGCOKTSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127774 1377482900 /nfs/dbraw/zinc/48/29/00/1377482900.db2.gz MOYITSZMIHFNSL-ZTFGCOKTSA-N 2 2 330.501 3.204 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC001137189748 1377493636 /nfs/dbraw/zinc/49/36/36/1377493636.db2.gz FWTNWPITNSCVET-QGZVFWFLSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC001137189748 1377493639 /nfs/dbraw/zinc/49/36/39/1377493639.db2.gz FWTNWPITNSCVET-QGZVFWFLSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@H]3C2)cc1 ZINC001137346009 1377527601 /nfs/dbraw/zinc/52/76/01/1377527601.db2.gz HNKJLQFXJUQWIW-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)cc1F)CC2 ZINC001137659401 1377584099 /nfs/dbraw/zinc/58/40/99/1377584099.db2.gz UJBXXMZYEQZWCG-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP COc1c(C)cc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1C ZINC001138430645 1377722972 /nfs/dbraw/zinc/72/29/72/1377722972.db2.gz JHWTWKMJBNJBAQ-UHFFFAOYSA-N 2 2 340.471 3.041 20 0 EGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001138484493 1377730517 /nfs/dbraw/zinc/73/05/17/1377730517.db2.gz PZOROXZECMUGPW-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001138484493 1377730519 /nfs/dbraw/zinc/73/05/19/1377730519.db2.gz PZOROXZECMUGPW-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001138484493 1377730522 /nfs/dbraw/zinc/73/05/22/1377730522.db2.gz PZOROXZECMUGPW-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001138484493 1377730527 /nfs/dbraw/zinc/73/05/27/1377730527.db2.gz PZOROXZECMUGPW-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(C)s1 ZINC001138569513 1377744121 /nfs/dbraw/zinc/74/41/21/1377744121.db2.gz KTUNCZMPJDOKKQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(C)s1 ZINC001138569513 1377744123 /nfs/dbraw/zinc/74/41/23/1377744123.db2.gz KTUNCZMPJDOKKQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(C)s1 ZINC001138569513 1377744126 /nfs/dbraw/zinc/74/41/26/1377744126.db2.gz KTUNCZMPJDOKKQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(C)s1 ZINC001138569513 1377744131 /nfs/dbraw/zinc/74/41/31/1377744131.db2.gz KTUNCZMPJDOKKQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccn3-c3ccccc3F)C[C@@H]2C1 ZINC001138635298 1377758566 /nfs/dbraw/zinc/75/85/66/1377758566.db2.gz DGYIBCCLMNDYGQ-CALCHBBNSA-N 2 2 327.447 3.390 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccn3-c3ccccc3F)C[C@@H]2C1 ZINC001138635298 1377758567 /nfs/dbraw/zinc/75/85/67/1377758567.db2.gz DGYIBCCLMNDYGQ-CALCHBBNSA-N 2 2 327.447 3.390 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccn3-c3ccccc3F)C[C@@H]2C1 ZINC001138635298 1377758568 /nfs/dbraw/zinc/75/85/68/1377758568.db2.gz DGYIBCCLMNDYGQ-CALCHBBNSA-N 2 2 327.447 3.390 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccn3-c3ccccc3F)C[C@@H]2C1 ZINC001138635298 1377758569 /nfs/dbraw/zinc/75/85/69/1377758569.db2.gz DGYIBCCLMNDYGQ-CALCHBBNSA-N 2 2 327.447 3.390 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001138850741 1377794863 /nfs/dbraw/zinc/79/48/63/1377794863.db2.gz KKBAGZJPKUPRQK-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001138850741 1377794864 /nfs/dbraw/zinc/79/48/64/1377794864.db2.gz KKBAGZJPKUPRQK-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001138850741 1377794865 /nfs/dbraw/zinc/79/48/65/1377794865.db2.gz KKBAGZJPKUPRQK-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001138850741 1377794866 /nfs/dbraw/zinc/79/48/66/1377794866.db2.gz KKBAGZJPKUPRQK-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139168633 1377842894 /nfs/dbraw/zinc/84/28/94/1377842894.db2.gz UCGSBPVAMZYTOW-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139168633 1377842895 /nfs/dbraw/zinc/84/28/95/1377842895.db2.gz UCGSBPVAMZYTOW-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP Cn1ccc2cc(C[NH+]3CCC([N@H+](C)C4CCOCC4)CC3)ccc21 ZINC001139189429 1377847087 /nfs/dbraw/zinc/84/70/87/1377847087.db2.gz BNMPGNLAPDSDFW-UHFFFAOYSA-N 2 2 341.499 3.254 20 0 EGADLP Cn1ccc2cc(C[NH+]3CCC([N@@H+](C)C4CCOCC4)CC3)ccc21 ZINC001139189429 1377847090 /nfs/dbraw/zinc/84/70/90/1377847090.db2.gz BNMPGNLAPDSDFW-UHFFFAOYSA-N 2 2 341.499 3.254 20 0 EGADLP O=C1Nc2ccccc2[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC001139356936 1377873027 /nfs/dbraw/zinc/87/30/27/1377873027.db2.gz UBRZGSWARHEYOL-MOPGFXCFSA-N 2 2 344.418 3.040 20 0 EGADLP O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC001139356936 1377873034 /nfs/dbraw/zinc/87/30/34/1377873034.db2.gz UBRZGSWARHEYOL-MOPGFXCFSA-N 2 2 344.418 3.040 20 0 EGADLP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358445 1377873493 /nfs/dbraw/zinc/87/34/93/1377873493.db2.gz MSFILXPJWCJMRC-VQTJNVASSA-N 2 2 341.455 3.032 20 0 EGADLP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139358445 1377873504 /nfs/dbraw/zinc/87/35/04/1377873504.db2.gz MSFILXPJWCJMRC-VQTJNVASSA-N 2 2 341.455 3.032 20 0 EGADLP Cc1cccnc1N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360044 1377873951 /nfs/dbraw/zinc/87/39/51/1377873951.db2.gz GGYIMYOSQNVLJD-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP Cc1cccnc1N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360044 1377873954 /nfs/dbraw/zinc/87/39/54/1377873954.db2.gz GGYIMYOSQNVLJD-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC001139360761 1377874300 /nfs/dbraw/zinc/87/43/00/1377874300.db2.gz FXTWGIDCNHWBKI-HXUWFJFHSA-N 2 2 347.418 3.145 20 0 EGADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC001139360761 1377874301 /nfs/dbraw/zinc/87/43/01/1377874301.db2.gz FXTWGIDCNHWBKI-HXUWFJFHSA-N 2 2 347.418 3.145 20 0 EGADLP C[NH+](C)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139535675 1377900124 /nfs/dbraw/zinc/90/01/24/1377900124.db2.gz RXXYDTFRVBFLAL-UHFFFAOYSA-N 2 2 326.366 3.108 20 0 EGADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139765357 1377948325 /nfs/dbraw/zinc/94/83/25/1377948325.db2.gz WKJLQDHPBWFHLS-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)[C@@H]1CCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139765357 1377948326 /nfs/dbraw/zinc/94/83/26/1377948326.db2.gz WKJLQDHPBWFHLS-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP Cc1nnc(C2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)o1 ZINC001140026976 1377991978 /nfs/dbraw/zinc/99/19/78/1377991978.db2.gz SCFBXUWEQICLSY-UHFFFAOYSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001140027552 1377992834 /nfs/dbraw/zinc/99/28/34/1377992834.db2.gz PUXWRCCIZRLKTO-SFHVURJKSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001140027552 1377992836 /nfs/dbraw/zinc/99/28/36/1377992836.db2.gz PUXWRCCIZRLKTO-SFHVURJKSA-N 2 2 349.438 3.014 20 0 EGADLP CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140029676 1377993149 /nfs/dbraw/zinc/99/31/49/1377993149.db2.gz PQKRHBDQEGPDDK-SFHVURJKSA-N 2 2 341.455 3.346 20 0 EGADLP CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140029676 1377993151 /nfs/dbraw/zinc/99/31/51/1377993151.db2.gz PQKRHBDQEGPDDK-SFHVURJKSA-N 2 2 341.455 3.346 20 0 EGADLP COc1ccc2n[nH]c(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)c2c1 ZINC001140071708 1378001059 /nfs/dbraw/zinc/00/10/59/1378001059.db2.gz WBNQGBINYAXJCG-UHFFFAOYSA-N 2 2 342.487 3.410 20 0 EGADLP COc1ccc2n[nH]c(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)c2c1 ZINC001140071708 1378001063 /nfs/dbraw/zinc/00/10/63/1378001063.db2.gz WBNQGBINYAXJCG-UHFFFAOYSA-N 2 2 342.487 3.410 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5cnccc54)C[C@H]3C2)nc1 ZINC001140141828 1378019546 /nfs/dbraw/zinc/01/95/46/1378019546.db2.gz SOQKZPLKIGHPLL-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5cnccc54)C[C@H]3C2)nc1 ZINC001140141828 1378019550 /nfs/dbraw/zinc/01/95/50/1378019550.db2.gz SOQKZPLKIGHPLL-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5cnccc54)C[C@H]3C2)nc1 ZINC001140141828 1378019554 /nfs/dbraw/zinc/01/95/54/1378019554.db2.gz SOQKZPLKIGHPLL-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5cnccc54)C[C@H]3C2)nc1 ZINC001140141828 1378019558 /nfs/dbraw/zinc/01/95/58/1378019558.db2.gz SOQKZPLKIGHPLL-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ncc(Br)cc12 ZINC001140462145 1378067271 /nfs/dbraw/zinc/06/72/71/1378067271.db2.gz RSSUHQFPKJNOJH-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c2ncc(Br)cc12 ZINC001140462145 1378067275 /nfs/dbraw/zinc/06/72/75/1378067275.db2.gz RSSUHQFPKJNOJH-UHFFFAOYSA-N 2 2 348.248 3.044 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC1CC1 ZINC001140491421 1378071982 /nfs/dbraw/zinc/07/19/82/1378071982.db2.gz ZKXRYSPGTLMIMB-FQEVSTJZSA-N 2 2 330.472 3.012 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC1CC1 ZINC001140491421 1378071984 /nfs/dbraw/zinc/07/19/84/1378071984.db2.gz ZKXRYSPGTLMIMB-FQEVSTJZSA-N 2 2 330.472 3.012 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCC1CC1 ZINC001140491421 1378071990 /nfs/dbraw/zinc/07/19/90/1378071990.db2.gz ZKXRYSPGTLMIMB-FQEVSTJZSA-N 2 2 330.472 3.012 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCC1CC1 ZINC001140491421 1378071993 /nfs/dbraw/zinc/07/19/93/1378071993.db2.gz ZKXRYSPGTLMIMB-FQEVSTJZSA-N 2 2 330.472 3.012 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001140522975 1378076884 /nfs/dbraw/zinc/07/68/84/1378076884.db2.gz APQTYPWVWJUXHP-HNNXBMFYSA-N 2 2 336.501 3.375 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001140522975 1378076885 /nfs/dbraw/zinc/07/68/85/1378076885.db2.gz APQTYPWVWJUXHP-HNNXBMFYSA-N 2 2 336.501 3.375 20 0 EGADLP CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111429 1378116335 /nfs/dbraw/zinc/11/63/35/1378116335.db2.gz ZCMCPZIVGKNAGJ-OXJNMPFZSA-N 2 2 340.471 3.090 20 0 EGADLP CC[C@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111429 1378116340 /nfs/dbraw/zinc/11/63/40/1378116340.db2.gz ZCMCPZIVGKNAGJ-OXJNMPFZSA-N 2 2 340.471 3.090 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140779578 1378134125 /nfs/dbraw/zinc/13/41/25/1378134125.db2.gz RCRKZLPRAQVVTL-OALUTQOASA-N 2 2 325.431 3.093 20 0 EGADLP FC(F)(F)CC[N@@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275164697 1378135993 /nfs/dbraw/zinc/13/59/93/1378135993.db2.gz PSZNWDIFBGIUQA-INIZCTEOSA-N 2 2 344.425 3.014 20 0 EGADLP FC(F)(F)CC[N@H+]1CCC[C@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275164697 1378135994 /nfs/dbraw/zinc/13/59/94/1378135994.db2.gz PSZNWDIFBGIUQA-INIZCTEOSA-N 2 2 344.425 3.014 20 0 EGADLP FC(F)(F)CC[NH+]1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275164697 1378135995 /nfs/dbraw/zinc/13/59/95/1378135995.db2.gz PSZNWDIFBGIUQA-INIZCTEOSA-N 2 2 344.425 3.014 20 0 EGADLP FC(F)(F)CC[NH+]1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275164697 1378135996 /nfs/dbraw/zinc/13/59/96/1378135996.db2.gz PSZNWDIFBGIUQA-INIZCTEOSA-N 2 2 344.425 3.014 20 0 EGADLP FC(F)(F)CC[N@@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275164698 1378136021 /nfs/dbraw/zinc/13/60/21/1378136021.db2.gz PSZNWDIFBGIUQA-MRXNPFEDSA-N 2 2 344.425 3.014 20 0 EGADLP FC(F)(F)CC[N@H+]1CCC[C@@]2(CCC[NH+](CCn3ccnc3)C2)C1 ZINC001275164698 1378136022 /nfs/dbraw/zinc/13/60/22/1378136022.db2.gz PSZNWDIFBGIUQA-MRXNPFEDSA-N 2 2 344.425 3.014 20 0 EGADLP FC(F)(F)CC[NH+]1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001275164698 1378136024 /nfs/dbraw/zinc/13/60/24/1378136024.db2.gz PSZNWDIFBGIUQA-MRXNPFEDSA-N 2 2 344.425 3.014 20 0 EGADLP FC(F)(F)CC[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001275164698 1378136026 /nfs/dbraw/zinc/13/60/26/1378136026.db2.gz PSZNWDIFBGIUQA-MRXNPFEDSA-N 2 2 344.425 3.014 20 0 EGADLP Cc1cc(Br)c(F)cc1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001140795579 1378138764 /nfs/dbraw/zinc/13/87/64/1378138764.db2.gz GPZASZMVOXXQQY-UHFFFAOYSA-N 2 2 341.268 3.424 20 0 EGADLP Clc1ccc(OC2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)nn1 ZINC001140804922 1378144313 /nfs/dbraw/zinc/14/43/13/1378144313.db2.gz KIILEWPHCGKYHC-UHFFFAOYSA-N 2 2 343.818 3.050 20 0 EGADLP CC(C)(C)OC(=O)N1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1(C)C ZINC001140806337 1378146136 /nfs/dbraw/zinc/14/61/36/1378146136.db2.gz FYYNUIYELWZFBL-UHFFFAOYSA-N 2 2 344.459 3.394 20 0 EGADLP Fc1ccc(OC2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)nc1 ZINC001140806161 1378146271 /nfs/dbraw/zinc/14/62/71/1378146271.db2.gz BTPACIFFSFBEGA-UHFFFAOYSA-N 2 2 326.375 3.140 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140806139 1378147440 /nfs/dbraw/zinc/14/74/40/1378147440.db2.gz WSNDTQAOXCTZIR-DYVFJYSZSA-N 2 2 344.459 3.298 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@H]1NC(=O)OC(C)(C)C ZINC001140806139 1378147445 /nfs/dbraw/zinc/14/74/45/1378147445.db2.gz WSNDTQAOXCTZIR-DYVFJYSZSA-N 2 2 344.459 3.298 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(Cc3cccc(N)[nH+]3)C2)C1 ZINC001276492033 1378176202 /nfs/dbraw/zinc/17/62/02/1378176202.db2.gz IWMOAXXGPSFTJN-QGZVFWFLSA-N 2 2 330.520 3.388 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(Cc3cccc(N)[nH+]3)C2)C1 ZINC001276492033 1378176206 /nfs/dbraw/zinc/17/62/06/1378176206.db2.gz IWMOAXXGPSFTJN-QGZVFWFLSA-N 2 2 330.520 3.388 20 0 EGADLP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001140964951 1378196520 /nfs/dbraw/zinc/19/65/20/1378196520.db2.gz AFSACUXOTWPYPO-GDBMZVCRSA-N 2 2 328.378 3.277 20 0 EGADLP Cc1cc(OC(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001140964951 1378196521 /nfs/dbraw/zinc/19/65/21/1378196521.db2.gz AFSACUXOTWPYPO-GDBMZVCRSA-N 2 2 328.378 3.277 20 0 EGADLP FCCCC[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001278205169 1378262720 /nfs/dbraw/zinc/26/27/20/1378262720.db2.gz BSQLDNUHWLRBGO-UHFFFAOYSA-N 2 2 329.463 3.468 20 0 EGADLP FCCCC[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001278205169 1378262723 /nfs/dbraw/zinc/26/27/23/1378262723.db2.gz BSQLDNUHWLRBGO-UHFFFAOYSA-N 2 2 329.463 3.468 20 0 EGADLP COCC[N@H+](Cc1ccc2nc(C)ccc2c1)C1CC[NH+](C)CC1 ZINC001141479072 1378332783 /nfs/dbraw/zinc/33/27/83/1378332783.db2.gz ZCVBVAGDIUEELQ-UHFFFAOYSA-N 2 2 327.472 3.086 20 0 EGADLP COCC[N@@H+](Cc1ccc2nc(C)ccc2c1)C1CC[NH+](C)CC1 ZINC001141479072 1378332787 /nfs/dbraw/zinc/33/27/87/1378332787.db2.gz ZCVBVAGDIUEELQ-UHFFFAOYSA-N 2 2 327.472 3.086 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141523590 1378338934 /nfs/dbraw/zinc/33/89/34/1378338934.db2.gz XYDYJBMUPNOIIQ-CALCHBBNSA-N 2 2 330.472 3.010 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141523590 1378338938 /nfs/dbraw/zinc/33/89/38/1378338938.db2.gz XYDYJBMUPNOIIQ-CALCHBBNSA-N 2 2 330.472 3.010 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141523590 1378338944 /nfs/dbraw/zinc/33/89/44/1378338944.db2.gz XYDYJBMUPNOIIQ-CALCHBBNSA-N 2 2 330.472 3.010 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC1CCCC1 ZINC001141523590 1378338945 /nfs/dbraw/zinc/33/89/45/1378338945.db2.gz XYDYJBMUPNOIIQ-CALCHBBNSA-N 2 2 330.472 3.010 20 0 EGADLP C[N@@H+](Cc1cccn2ccnc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142961061 1378517278 /nfs/dbraw/zinc/51/72/78/1378517278.db2.gz CTJCWMKCYCARFU-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cccn2ccnc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142961061 1378517281 /nfs/dbraw/zinc/51/72/81/1378517281.db2.gz CTJCWMKCYCARFU-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccn2ccnc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142961061 1378517286 /nfs/dbraw/zinc/51/72/86/1378517286.db2.gz CTJCWMKCYCARFU-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccn2ccnc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142961061 1378517291 /nfs/dbraw/zinc/51/72/91/1378517291.db2.gz CTJCWMKCYCARFU-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP c1cn2cccc(C[NH+]3CCC([N@@H+]4CCc5ccccc5C4)CC3)c2n1 ZINC001142962293 1378518226 /nfs/dbraw/zinc/51/82/26/1378518226.db2.gz WQDBEICGRUITIP-UHFFFAOYSA-N 2 2 346.478 3.357 20 0 EGADLP c1cn2cccc(C[NH+]3CCC([N@H+]4CCc5ccccc5C4)CC3)c2n1 ZINC001142962293 1378518227 /nfs/dbraw/zinc/51/82/27/1378518227.db2.gz WQDBEICGRUITIP-UHFFFAOYSA-N 2 2 346.478 3.357 20 0 EGADLP c1cn2cc(CN3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC001143029425 1378530669 /nfs/dbraw/zinc/53/06/69/1378530669.db2.gz YYBYHYXAZMWGJQ-PMACEKPBSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC001143029425 1378530671 /nfs/dbraw/zinc/53/06/71/1378530671.db2.gz YYBYHYXAZMWGJQ-PMACEKPBSA-N 2 2 332.451 3.041 20 0 EGADLP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001143148222 1378548197 /nfs/dbraw/zinc/54/81/97/1378548197.db2.gz ZKBBFLJCYTXQND-INIZCTEOSA-N 2 2 342.439 3.369 20 0 EGADLP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001143148222 1378548209 /nfs/dbraw/zinc/54/82/09/1378548209.db2.gz ZKBBFLJCYTXQND-INIZCTEOSA-N 2 2 342.439 3.369 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@H]2C1 ZINC001143350053 1378585085 /nfs/dbraw/zinc/58/50/85/1378585085.db2.gz ADJYEDGNGCKSDP-ZIAGYGMSSA-N 2 2 328.378 3.098 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143446910 1378597750 /nfs/dbraw/zinc/59/77/50/1378597750.db2.gz JSRXHLOWJJIQFS-UHFFFAOYSA-N 2 2 331.313 3.443 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CCCC1CCC1 ZINC001146712904 1378904908 /nfs/dbraw/zinc/90/49/08/1378904908.db2.gz FZYORRCXRJPJFA-SJORKVTESA-N 2 2 334.508 3.117 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CC1CC2(CCC2)C1 ZINC001146714718 1378906199 /nfs/dbraw/zinc/90/61/99/1378906199.db2.gz QPIMQCGDEMUXRJ-SJORKVTESA-N 2 2 346.519 3.117 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787839 1379079079 /nfs/dbraw/zinc/07/90/79/1379079079.db2.gz JTBKWLOXUIZIAD-ARJAWSKDSA-N 2 2 338.455 3.067 20 0 EGADLP CC/C=C\CC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787839 1379079082 /nfs/dbraw/zinc/07/90/82/1379079082.db2.gz JTBKWLOXUIZIAD-ARJAWSKDSA-N 2 2 338.455 3.067 20 0 EGADLP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114644 1380023862 /nfs/dbraw/zinc/02/38/62/1380023862.db2.gz GFPJVCGBRHKLHQ-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114644 1380023866 /nfs/dbraw/zinc/02/38/66/1380023866.db2.gz GFPJVCGBRHKLHQ-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP COc1cc2ccc(NC[C@]3(F)CCCC[NH2+]C3)[nH+]c2cc1OC ZINC001155116663 1380411699 /nfs/dbraw/zinc/41/16/99/1380411699.db2.gz LDVDUSKXJPJEKH-SFHVURJKSA-N 2 2 333.407 3.146 20 0 EGADLP COc1ccc2ccc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)[nH+]c2c1 ZINC001155457682 1380456068 /nfs/dbraw/zinc/45/60/68/1380456068.db2.gz AHPFJQRKLQUQEQ-OAHLLOKOSA-N 2 2 336.439 3.267 20 0 EGADLP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522589 1380463986 /nfs/dbraw/zinc/46/39/86/1380463986.db2.gz YNJFSYNSEAVPLC-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522589 1380463987 /nfs/dbraw/zinc/46/39/87/1380463987.db2.gz YNJFSYNSEAVPLC-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP COC(OC)c1cc(C)c[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156047664 1380517724 /nfs/dbraw/zinc/51/77/24/1380517724.db2.gz DUBVCRVACMQGQM-UHFFFAOYSA-N 2 2 329.444 3.355 20 0 EGADLP COC(=O)c1ccc(-c2ccc(N(C)C3CC[NH2+]CC3)[nH+]c2C)cc1 ZINC001156175820 1380536046 /nfs/dbraw/zinc/53/60/46/1380536046.db2.gz MIXLTGZJQVGNDB-UHFFFAOYSA-N 2 2 339.439 3.032 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247872 1380822716 /nfs/dbraw/zinc/82/27/16/1380822716.db2.gz AGNVLKQMUOFCNY-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247872 1380822720 /nfs/dbraw/zinc/82/27/20/1380822720.db2.gz AGNVLKQMUOFCNY-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP [NH3+]CCCCCCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609862 1380980456 /nfs/dbraw/zinc/98/04/56/1380980456.db2.gz JRPIZEJGNDCGNN-FMIVXFBMSA-N 2 2 343.515 3.143 20 0 EGADLP Cc1c(Cl)ccc2ccc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)nc12 ZINC001158259990 1381175998 /nfs/dbraw/zinc/17/59/98/1381175998.db2.gz BQCRMUIKAZOHTB-OAHLLOKOSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1c(Cl)ccc2ccc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)nc12 ZINC001158259990 1381176002 /nfs/dbraw/zinc/17/60/02/1381176002.db2.gz BQCRMUIKAZOHTB-OAHLLOKOSA-N 2 2 344.890 3.198 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158467625 1381254251 /nfs/dbraw/zinc/25/42/51/1381254251.db2.gz IMTDQNQIQXRIPX-SJORKVTESA-N 2 2 344.503 3.109 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158467625 1381254256 /nfs/dbraw/zinc/25/42/56/1381254256.db2.gz IMTDQNQIQXRIPX-SJORKVTESA-N 2 2 344.503 3.109 20 0 EGADLP c1cc(C2CC[NH2+]CC2)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001159153787 1381673790 /nfs/dbraw/zinc/67/37/90/1381673790.db2.gz IGQPUPRNKTURPH-UHFFFAOYSA-N 2 2 338.455 3.129 20 0 EGADLP c1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001159167433 1381697792 /nfs/dbraw/zinc/69/77/92/1381697792.db2.gz KMDPDZITTFAMDE-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP COc1nc(C(C)C)ccc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159322070 1381761481 /nfs/dbraw/zinc/76/14/81/1381761481.db2.gz ZIQPRUAXXNKDGT-UHFFFAOYSA-N 2 2 341.459 3.280 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001159972380 1381954763 /nfs/dbraw/zinc/95/47/63/1381954763.db2.gz MXEDCJXDHCAIKK-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001159972380 1381954764 /nfs/dbraw/zinc/95/47/64/1381954764.db2.gz MXEDCJXDHCAIKK-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)C[C@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)c1ccccn1 ZINC001160485836 1382120235 /nfs/dbraw/zinc/12/02/35/1382120235.db2.gz HYVOWSWRVMEAMN-SFHVURJKSA-N 2 2 339.487 3.428 20 0 EGADLP c1ccc([C@H]2[C@H]3CC[C@H](C3)[C@@H]2Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001160508051 1382126311 /nfs/dbraw/zinc/12/63/11/1382126311.db2.gz CCXWIEBNLFPDKG-UDKICSLYSA-N 2 2 348.494 3.485 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)n1cc[nH+]c1 ZINC001160527681 1382132124 /nfs/dbraw/zinc/13/21/24/1382132124.db2.gz AGNUCZBAPKEQBH-IBGZPJMESA-N 2 2 346.519 3.457 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+][C@H](C)c2cccc(C)c2)c[nH+]1 ZINC001160826656 1382210167 /nfs/dbraw/zinc/21/01/67/1382210167.db2.gz LNFLUMFZCMFSJK-QGZVFWFLSA-N 2 2 342.487 3.092 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CC[C@H]2CCC[C@H](C)C2)c[nH+]1 ZINC001160827346 1382210196 /nfs/dbraw/zinc/21/01/96/1382210196.db2.gz WPJNDQRDNJYTPC-FUHWJXTLSA-N 2 2 348.535 3.239 20 0 EGADLP CC1CCC(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160992205 1382266013 /nfs/dbraw/zinc/26/60/13/1382266013.db2.gz TWXNHHVGLBEDJJ-UHFFFAOYSA-N 2 2 328.460 3.099 20 0 EGADLP CCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189142 1382333962 /nfs/dbraw/zinc/33/39/62/1382333962.db2.gz BGOULIDMTGRHAT-QGZVFWFLSA-N 2 2 344.503 3.158 20 0 EGADLP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189142 1382333967 /nfs/dbraw/zinc/33/39/67/1382333967.db2.gz BGOULIDMTGRHAT-QGZVFWFLSA-N 2 2 344.503 3.158 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161336642 1382374844 /nfs/dbraw/zinc/37/48/44/1382374844.db2.gz VHAMBBOFVSFQBV-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161336642 1382374847 /nfs/dbraw/zinc/37/48/47/1382374847.db2.gz VHAMBBOFVSFQBV-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161433888 1382409023 /nfs/dbraw/zinc/40/90/23/1382409023.db2.gz KLAMOBSBISLZPP-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161433888 1382409029 /nfs/dbraw/zinc/40/90/29/1382409029.db2.gz KLAMOBSBISLZPP-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161433888 1382409033 /nfs/dbraw/zinc/40/90/33/1382409033.db2.gz KLAMOBSBISLZPP-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161433888 1382409036 /nfs/dbraw/zinc/40/90/36/1382409036.db2.gz KLAMOBSBISLZPP-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP Cc1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001161470733 1382417921 /nfs/dbraw/zinc/41/79/21/1382417921.db2.gz UJZIYZNVLQTKAY-GOSISDBHSA-N 2 2 343.519 3.071 20 0 EGADLP c1cc2n(c1)C[C@H](CCNc1cccc(Cc3ccncc3)[nH+]1)C[NH2+]C2 ZINC001163058295 1382957505 /nfs/dbraw/zinc/95/75/05/1382957505.db2.gz XNMSRRXUJAOSQI-GOSISDBHSA-N 2 2 347.466 3.091 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001165135316 1383234655 /nfs/dbraw/zinc/23/46/55/1383234655.db2.gz WDMAAEANKZOIIH-UHFFFAOYSA-N 2 2 325.456 3.234 20 0 EGADLP Cc1cc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc(C(C)C)[nH+]1 ZINC001165668886 1383321795 /nfs/dbraw/zinc/32/17/95/1383321795.db2.gz GIZZYDCQNMIYFS-INIZCTEOSA-N 2 2 346.519 3.424 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001165711991 1383330714 /nfs/dbraw/zinc/33/07/14/1383330714.db2.gz ZYPGIBTZKADAHJ-UHFFFAOYSA-N 2 2 347.503 3.089 20 0 EGADLP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1[nH+]ccc3ccccc31)C2 ZINC001165909108 1383363395 /nfs/dbraw/zinc/36/33/95/1383363395.db2.gz ZVSKXOOPYREVHN-UHFFFAOYSA-N 2 2 347.466 3.484 20 0 EGADLP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001165911315 1383363572 /nfs/dbraw/zinc/36/35/72/1383363572.db2.gz SLWXLIUHKITHOG-UHFFFAOYSA-N 2 2 337.471 3.208 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC001167429769 1383631820 /nfs/dbraw/zinc/63/18/20/1383631820.db2.gz XFGVJHANWZUZHS-GJZGRUSLSA-N 2 2 348.878 3.345 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001167841925 1383756935 /nfs/dbraw/zinc/75/69/35/1383756935.db2.gz USVKMQODGJIBSB-OLZOCXBDSA-N 2 2 347.429 3.184 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001167841925 1383756938 /nfs/dbraw/zinc/75/69/38/1383756938.db2.gz USVKMQODGJIBSB-OLZOCXBDSA-N 2 2 347.429 3.184 20 0 EGADLP c1c2c(cc3c1CC[NH+](C1C[C@H]4CC[C@@H](C1)[N@H+]4CC1CC1)C3)OCO2 ZINC001167984750 1383787729 /nfs/dbraw/zinc/78/77/29/1383787729.db2.gz QPQPLLLJNJPONB-DFNIBXOVSA-N 2 2 340.467 3.179 20 0 EGADLP c1c2c(cc3c1CC[NH+](C1C[C@H]4CC[C@@H](C1)[N@@H+]4CC1CC1)C3)OCO2 ZINC001167984750 1383787731 /nfs/dbraw/zinc/78/77/31/1383787731.db2.gz QPQPLLLJNJPONB-DFNIBXOVSA-N 2 2 340.467 3.179 20 0 EGADLP c1c2c(cc3c1CC[N@@H+](C1C[C@H]4CC[C@@H](C1)[NH+]4CC1CC1)C3)OCO2 ZINC001167984750 1383787735 /nfs/dbraw/zinc/78/77/35/1383787735.db2.gz QPQPLLLJNJPONB-DFNIBXOVSA-N 2 2 340.467 3.179 20 0 EGADLP c1c2c(cc3c1CC[N@H+](C1C[C@H]4CC[C@@H](C1)[NH+]4CC1CC1)C3)OCO2 ZINC001167984750 1383787739 /nfs/dbraw/zinc/78/77/39/1383787739.db2.gz QPQPLLLJNJPONB-DFNIBXOVSA-N 2 2 340.467 3.179 20 0 EGADLP CCOC(=O)C[N@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002389 1383793278 /nfs/dbraw/zinc/79/32/78/1383793278.db2.gz QQSYNKBGZZQGKM-DFNIBXOVSA-N 2 2 334.504 3.200 20 0 EGADLP CCOC(=O)C[N@@H+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002389 1383793282 /nfs/dbraw/zinc/79/32/82/1383793282.db2.gz QQSYNKBGZZQGKM-DFNIBXOVSA-N 2 2 334.504 3.200 20 0 EGADLP CCOC(=O)C[NH+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002389 1383793286 /nfs/dbraw/zinc/79/32/86/1383793286.db2.gz QQSYNKBGZZQGKM-DFNIBXOVSA-N 2 2 334.504 3.200 20 0 EGADLP CCOC(=O)C[NH+](C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002389 1383793289 /nfs/dbraw/zinc/79/32/89/1383793289.db2.gz QQSYNKBGZZQGKM-DFNIBXOVSA-N 2 2 334.504 3.200 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168746195 1383989362 /nfs/dbraw/zinc/98/93/62/1383989362.db2.gz FJZWMTZSNNAUFO-UHFFFAOYSA-N 2 2 326.444 3.221 20 0 EGADLP C[C@H]1CC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C[C@H](C)C1 ZINC001308227388 1384110636 /nfs/dbraw/zinc/11/06/36/1384110636.db2.gz HNEQLWTZDUTIIE-QZTJIDSGSA-N 2 2 346.515 3.312 20 0 EGADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)nn2)c1C ZINC001169140356 1384112367 /nfs/dbraw/zinc/11/23/67/1384112367.db2.gz FVAQIKTXOUZRJT-KXBFYZLASA-N 2 2 342.491 3.235 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169144771 1384113719 /nfs/dbraw/zinc/11/37/19/1384113719.db2.gz NKVDBKFZJRQRCX-DJJJIMSYSA-N 2 2 344.459 3.305 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001169258284 1384128640 /nfs/dbraw/zinc/12/86/40/1384128640.db2.gz IEMSYSFYXUXPJD-UHFFFAOYSA-N 2 2 336.426 3.344 20 0 EGADLP O=C(OC1CCC([NH2+]CCOc2cc[nH+]cc2)CC1)c1ccccc1 ZINC001169291451 1384132940 /nfs/dbraw/zinc/13/29/40/1384132940.db2.gz ZUUWMDBDJDXPBB-UHFFFAOYSA-N 2 2 340.423 3.218 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(O[C@H]2CCOC2)cc[nH+]1 ZINC001169689477 1384173878 /nfs/dbraw/zinc/17/38/78/1384173878.db2.gz JQVSXHDLDCSOLK-FUHWJXTLSA-N 2 2 339.439 3.489 20 0 EGADLP CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001169782229 1384185949 /nfs/dbraw/zinc/18/59/49/1384185949.db2.gz XMFFYEFGEARBKR-OAQYLSRUSA-N 2 2 346.515 3.300 20 0 EGADLP CCC[C@]1(COC)CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001169782229 1384185951 /nfs/dbraw/zinc/18/59/51/1384185951.db2.gz XMFFYEFGEARBKR-OAQYLSRUSA-N 2 2 346.515 3.300 20 0 EGADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078467 1384229978 /nfs/dbraw/zinc/22/99/78/1384229978.db2.gz SGMALQQQGRPMDL-PMACEKPBSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078467 1384229985 /nfs/dbraw/zinc/22/99/85/1384229985.db2.gz SGMALQQQGRPMDL-PMACEKPBSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078467 1384229988 /nfs/dbraw/zinc/22/99/88/1384229988.db2.gz SGMALQQQGRPMDL-PMACEKPBSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078467 1384229994 /nfs/dbraw/zinc/22/99/94/1384229994.db2.gz SGMALQQQGRPMDL-PMACEKPBSA-N 2 2 340.552 3.262 20 0 EGADLP CC(C)CCC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001170087530 1384234087 /nfs/dbraw/zinc/23/40/87/1384234087.db2.gz HURNUGBPJVEWOC-GOSISDBHSA-N 2 2 345.535 3.414 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170844991 1384397342 /nfs/dbraw/zinc/39/73/42/1384397342.db2.gz OGJQAEFNIVPRJF-SJORKVTESA-N 2 2 337.305 3.380 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170844991 1384397346 /nfs/dbraw/zinc/39/73/46/1384397346.db2.gz OGJQAEFNIVPRJF-SJORKVTESA-N 2 2 337.305 3.380 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150496 1384455266 /nfs/dbraw/zinc/45/52/66/1384455266.db2.gz BAUONIWELZOMAA-IRXDYDNUSA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150496 1384455267 /nfs/dbraw/zinc/45/52/67/1384455267.db2.gz BAUONIWELZOMAA-IRXDYDNUSA-N 2 2 336.524 3.289 20 0 EGADLP Fc1cc2c(cc1F)C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001171495170 1384541682 /nfs/dbraw/zinc/54/16/82/1384541682.db2.gz HQNJOPUXGCVUSA-KRWDZBQOSA-N 2 2 343.421 3.476 20 0 EGADLP C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527400 1384551816 /nfs/dbraw/zinc/55/18/16/1384551816.db2.gz MTFFXAXRCNSIDU-LLPBQKLSSA-N 2 2 334.851 3.194 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595808 1384574027 /nfs/dbraw/zinc/57/40/27/1384574027.db2.gz HHWZHXZVDWKODC-DLBZAZTESA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(F)cc3c2OCOC3)CC1(C)C ZINC001171623249 1384583346 /nfs/dbraw/zinc/58/33/46/1384583346.db2.gz QERQTSYQOMTXDV-UHFFFAOYSA-N 2 2 336.451 3.433 20 0 EGADLP COC(=O)C[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(O)c1 ZINC001171626272 1384584213 /nfs/dbraw/zinc/58/42/13/1384584213.db2.gz WGVBUVCPCHLQNA-QGZVFWFLSA-N 2 2 348.487 3.237 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCN(C(=O)CC(C)(C)C)CC2)CC1(C)C ZINC001171643383 1384590392 /nfs/dbraw/zinc/59/03/92/1384590392.db2.gz SCUCPGMTCCFZRW-UHFFFAOYSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccco3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171762312 1384628343 /nfs/dbraw/zinc/62/83/43/1384628343.db2.gz IYUUUUDHCYNVGU-UYAOXDASSA-N 2 2 339.483 3.060 20 0 EGADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccco3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171762312 1384628345 /nfs/dbraw/zinc/62/83/45/1384628345.db2.gz IYUUUUDHCYNVGU-UYAOXDASSA-N 2 2 339.483 3.060 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CC2C[NH+](C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816421 1384648786 /nfs/dbraw/zinc/64/87/86/1384648786.db2.gz JUEGLYXPASMIGW-BJWYYQGGSA-N 2 2 339.524 3.094 20 0 EGADLP C[N@@H+]1CC[C@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705279 /nfs/dbraw/zinc/70/52/79/1384705279.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 2 327.516 3.066 20 0 EGADLP C[N@H+]1CC[C@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705283 /nfs/dbraw/zinc/70/52/83/1384705283.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 2 327.516 3.066 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705287 /nfs/dbraw/zinc/70/52/87/1384705287.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 2 327.516 3.066 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988046 1384705292 /nfs/dbraw/zinc/70/52/92/1384705292.db2.gz ODUWRYREXXRGHS-XUVXKRRUSA-N 2 2 327.516 3.066 20 0 EGADLP Cn1c[nH+]c2c1CCN([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171988495 1384706124 /nfs/dbraw/zinc/70/61/24/1384706124.db2.gz RWLSSDUAMJAQDN-SFHVURJKSA-N 2 2 338.499 3.221 20 0 EGADLP Cn1c[nH+]c2c1CCN([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171988495 1384706125 /nfs/dbraw/zinc/70/61/25/1384706125.db2.gz RWLSSDUAMJAQDN-SFHVURJKSA-N 2 2 338.499 3.221 20 0 EGADLP C[C@@]1(O)CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069589 1384718563 /nfs/dbraw/zinc/71/85/63/1384718563.db2.gz RMAROXGZHBIDDB-XIYVOTBMSA-N 2 2 346.490 3.367 20 0 EGADLP C[C@@]1(O)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069589 1384718566 /nfs/dbraw/zinc/71/85/66/1384718566.db2.gz RMAROXGZHBIDDB-XIYVOTBMSA-N 2 2 346.490 3.367 20 0 EGADLP C[C@@]1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069589 1384718568 /nfs/dbraw/zinc/71/85/68/1384718568.db2.gz RMAROXGZHBIDDB-XIYVOTBMSA-N 2 2 346.490 3.367 20 0 EGADLP C[C@@]1(O)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069589 1384718572 /nfs/dbraw/zinc/71/85/72/1384718572.db2.gz RMAROXGZHBIDDB-XIYVOTBMSA-N 2 2 346.490 3.367 20 0 EGADLP Cc1[nH+]cn([C@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c1CC[NH3+] ZINC001172080125 1384722960 /nfs/dbraw/zinc/72/29/60/1384722960.db2.gz MWGISHZFQDJRRI-ZSHCYNCHSA-N 2 2 348.491 3.186 20 0 EGADLP CCOc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172127593 1384735544 /nfs/dbraw/zinc/73/55/44/1384735544.db2.gz JPNQSJPVNFLLTP-RUYXUALKSA-N 2 2 343.515 3.223 20 0 EGADLP CCOc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172127593 1384735549 /nfs/dbraw/zinc/73/55/49/1384735549.db2.gz JPNQSJPVNFLLTP-RUYXUALKSA-N 2 2 343.515 3.223 20 0 EGADLP Cc1cc(F)ccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127391 1384736352 /nfs/dbraw/zinc/73/63/52/1384736352.db2.gz IMZDHPXYXBJINM-BWTSREIZSA-N 2 2 331.479 3.271 20 0 EGADLP Cc1cc(F)ccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127391 1384736355 /nfs/dbraw/zinc/73/63/55/1384736355.db2.gz IMZDHPXYXBJINM-BWTSREIZSA-N 2 2 331.479 3.271 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001172329986 1384771088 /nfs/dbraw/zinc/77/10/88/1384771088.db2.gz JSOKXLHXLFYIJZ-RAUXBKROSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172763131 1384845983 /nfs/dbraw/zinc/84/59/83/1384845983.db2.gz UTELBNLBUTVCNA-MRXNPFEDSA-N 2 2 329.444 3.424 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172763131 1384845984 /nfs/dbraw/zinc/84/59/84/1384845984.db2.gz UTELBNLBUTVCNA-MRXNPFEDSA-N 2 2 329.444 3.424 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172768959 1384847641 /nfs/dbraw/zinc/84/76/41/1384847641.db2.gz ZWOKLLVTAFIJCH-IRXDYDNUSA-N 2 2 327.428 3.084 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C1)CC2 ZINC001172835762 1384861738 /nfs/dbraw/zinc/86/17/38/1384861738.db2.gz XRXOKIWNIGFZCG-MQSCRBSSSA-N 2 2 347.506 3.311 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173664772 1384999576 /nfs/dbraw/zinc/99/95/76/1384999576.db2.gz OCOLNHTYEZFANT-FUHWJXTLSA-N 2 2 345.487 3.070 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1cc(C)sc1C ZINC001317486604 1385184092 /nfs/dbraw/zinc/18/40/92/1385184092.db2.gz BMKUIBJMKWYKGB-CQSZACIVSA-N 2 2 348.516 3.151 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1cc(C)sc1C ZINC001317486604 1385184093 /nfs/dbraw/zinc/18/40/93/1385184093.db2.gz BMKUIBJMKWYKGB-CQSZACIVSA-N 2 2 348.516 3.151 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175208377 1385220425 /nfs/dbraw/zinc/22/04/25/1385220425.db2.gz CZWFZOXXLVGBBV-JKSUJKDBSA-N 2 2 334.508 3.284 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501168 1385312970 /nfs/dbraw/zinc/31/29/70/1385312970.db2.gz BSQIVSFXNRBYCT-HQYUYXFKSA-N 2 2 334.508 3.455 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175628654 1385356302 /nfs/dbraw/zinc/35/63/02/1385356302.db2.gz GONYEEZGRZMTRD-JEZUCGJFSA-N 2 2 334.508 3.209 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175628654 1385356305 /nfs/dbraw/zinc/35/63/05/1385356305.db2.gz GONYEEZGRZMTRD-JEZUCGJFSA-N 2 2 334.508 3.209 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001175639311 1385360294 /nfs/dbraw/zinc/36/02/94/1385360294.db2.gz YGJMFZGUNLVIGA-SJORKVTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001175639311 1385360298 /nfs/dbraw/zinc/36/02/98/1385360298.db2.gz YGJMFZGUNLVIGA-SJORKVTESA-N 2 2 348.535 3.433 20 0 EGADLP CCc1cccc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)[nH+]1 ZINC001175824355 1385414707 /nfs/dbraw/zinc/41/47/07/1385414707.db2.gz NOQBQMBQYDEOBL-UHFFFAOYSA-N 2 2 326.444 3.069 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881273 1385429114 /nfs/dbraw/zinc/42/91/14/1385429114.db2.gz MVODROJMWXEXQK-HUUCEWRRSA-N 2 2 346.450 3.117 20 0 EGADLP C[NH+]1CCN(c2ncc(Nc3cc[nH+]c(-c4ccccc4)c3)cn2)CC1 ZINC001176629986 1385644574 /nfs/dbraw/zinc/64/45/74/1385644574.db2.gz FKKJDKNNLGIYLO-UHFFFAOYSA-N 2 2 346.438 3.034 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001176810933 1385709984 /nfs/dbraw/zinc/70/99/84/1385709984.db2.gz SIKNHHAHVJGELP-KRWDZBQOSA-N 2 2 348.535 3.364 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001176829602 1385715387 /nfs/dbraw/zinc/71/53/87/1385715387.db2.gz OPCWTQWRJNZGOE-HOTGVXAUSA-N 2 2 346.450 3.048 20 0 EGADLP Cc1cc(C[N@@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)no1 ZINC001318513754 1385732329 /nfs/dbraw/zinc/73/23/29/1385732329.db2.gz IZPSNRLRESHDGM-UHFFFAOYSA-N 2 2 340.402 3.383 20 0 EGADLP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)no1 ZINC001318513754 1385732334 /nfs/dbraw/zinc/73/23/34/1385732334.db2.gz IZPSNRLRESHDGM-UHFFFAOYSA-N 2 2 340.402 3.383 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cc(F)ccc1F ZINC001319123879 1385968270 /nfs/dbraw/zinc/96/82/70/1385968270.db2.gz WDPHNTZWKXDXLK-UHFFFAOYSA-N 2 2 328.322 3.035 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178350081 1386194696 /nfs/dbraw/zinc/19/46/96/1386194696.db2.gz PYSQCBQHIWJHOQ-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)[nH+]1 ZINC001319702171 1386260697 /nfs/dbraw/zinc/26/06/97/1386260697.db2.gz OSXSKKBXHPLZPY-KRWDZBQOSA-N 2 2 339.439 3.238 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)[nH+]1 ZINC001319702171 1386260701 /nfs/dbraw/zinc/26/07/01/1386260701.db2.gz OSXSKKBXHPLZPY-KRWDZBQOSA-N 2 2 339.439 3.238 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649386 1386269099 /nfs/dbraw/zinc/26/90/99/1386269099.db2.gz FFBPOAJIJIJHAC-KRWDZBQOSA-N 2 2 336.524 3.291 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649386 1386269105 /nfs/dbraw/zinc/26/91/05/1386269105.db2.gz FFBPOAJIJIJHAC-KRWDZBQOSA-N 2 2 336.524 3.291 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178865054 1386332889 /nfs/dbraw/zinc/33/28/89/1386332889.db2.gz NYKNHSYYNIJSDA-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178865016 1386333573 /nfs/dbraw/zinc/33/35/73/1386333573.db2.gz NDCUXMGDWMLIFY-JXCVUKRWSA-N 2 2 346.519 3.068 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957227 1386360435 /nfs/dbraw/zinc/36/04/35/1386360435.db2.gz SNNASVLFOVITTG-PMEOWRCESA-N 2 2 346.519 3.406 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179179993 1386419431 /nfs/dbraw/zinc/41/94/31/1386419431.db2.gz MAXCLZFCXPOZDS-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001179692828 1386556062 /nfs/dbraw/zinc/55/60/62/1386556062.db2.gz OITNSFUGNUHTEC-HNNXBMFYSA-N 2 2 346.450 3.119 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179776699 1386580586 /nfs/dbraw/zinc/58/05/86/1386580586.db2.gz FHOIBQPVGUBJJG-INIZCTEOSA-N 2 2 336.524 3.291 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179776699 1386580589 /nfs/dbraw/zinc/58/05/89/1386580589.db2.gz FHOIBQPVGUBJJG-INIZCTEOSA-N 2 2 336.524 3.291 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001179907084 1386624481 /nfs/dbraw/zinc/62/44/81/1386624481.db2.gz VKYRKPKGBSIKLU-QZTJIDSGSA-N 2 2 348.535 3.435 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@]3(C)C[C@@H]3c3ccccc3)CC2)c1 ZINC001179997437 1386664116 /nfs/dbraw/zinc/66/41/16/1386664116.db2.gz MWCVQEIDGFULOY-TZIWHRDSSA-N 2 2 337.467 3.406 20 0 EGADLP CCn1c[nH+]cc1CNc1cccc(C(=O)OCC[NH+](CC)CC)c1 ZINC001181718028 1387044078 /nfs/dbraw/zinc/04/40/78/1387044078.db2.gz NHPZHVQFJADKNF-UHFFFAOYSA-N 2 2 344.459 3.014 20 0 EGADLP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820821 1387060708 /nfs/dbraw/zinc/06/07/08/1387060708.db2.gz UVJHEHJLDLNVDF-WSTZPKSXSA-N 2 2 348.535 3.201 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182579346 1387190314 /nfs/dbraw/zinc/19/03/14/1387190314.db2.gz CYJYTXNWILLTAX-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP Cn1c[nH+]cc1C1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC001342255580 1390591551 /nfs/dbraw/zinc/59/15/51/1390591551.db2.gz WVOCHGTUPBHKGD-SFHVURJKSA-N 2 2 346.519 3.204 20 0 EGADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016330 1390900877 /nfs/dbraw/zinc/90/08/77/1390900877.db2.gz AKWXOMIWFGCXNS-INIZCTEOSA-N 2 2 336.863 3.020 20 0 EGADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016330 1390900879 /nfs/dbraw/zinc/90/08/79/1390900879.db2.gz AKWXOMIWFGCXNS-INIZCTEOSA-N 2 2 336.863 3.020 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC001347643135 1391105105 /nfs/dbraw/zinc/10/51/05/1391105105.db2.gz PPGXZHMCKGOPRD-DOTOQJQBSA-N 2 2 339.439 3.154 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC001347643135 1391105109 /nfs/dbraw/zinc/10/51/09/1391105109.db2.gz PPGXZHMCKGOPRD-DOTOQJQBSA-N 2 2 339.439 3.154 20 0 EGADLP COc1ccc2oc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)cc2c1 ZINC001350337760 1391449497 /nfs/dbraw/zinc/44/94/97/1391449497.db2.gz FFKNLTNXGYMRTE-UHFFFAOYSA-N 2 2 344.455 3.174 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001350588855 1391484294 /nfs/dbraw/zinc/48/42/94/1391484294.db2.gz KAMVKKSOANXLHW-OAHLLOKOSA-N 2 2 340.427 3.254 20 0 EGADLP CSCC[C@H]([NH3+])CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001353509024 1392027203 /nfs/dbraw/zinc/02/72/03/1392027203.db2.gz SANGRKPDOQBJNI-AWEZNQCLSA-N 2 2 332.473 3.103 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001354097993 1392120212 /nfs/dbraw/zinc/12/02/12/1392120212.db2.gz VQVFPMSGDLQREB-GOSISDBHSA-N 2 2 346.434 3.333 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001354097993 1392120213 /nfs/dbraw/zinc/12/02/13/1392120213.db2.gz VQVFPMSGDLQREB-GOSISDBHSA-N 2 2 346.434 3.333 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001480507218 1392773628 /nfs/dbraw/zinc/77/36/28/1392773628.db2.gz JMOSSLMJJZFKAU-CVEARBPZSA-N 2 2 325.456 3.476 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]C[C@H](C)CC(C)C)C2)c(C)[nH+]1 ZINC001480617920 1392822480 /nfs/dbraw/zinc/82/24/80/1392822480.db2.gz QAKHKRUGLYBDET-KDOFPFPSSA-N 2 2 331.504 3.493 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC001481284700 1393158344 /nfs/dbraw/zinc/15/83/44/1393158344.db2.gz CZZVFVMKHJRUJR-OAHLLOKOSA-N 2 2 342.487 3.059 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001482334811 1394903755 /nfs/dbraw/zinc/90/37/55/1394903755.db2.gz APSXFFWQPNZFMM-HOTGVXAUSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001483947245 1395156586 /nfs/dbraw/zinc/15/65/86/1395156586.db2.gz WZSOAMROGHEVII-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069748 1428317212 /nfs/dbraw/zinc/31/72/12/1428317212.db2.gz AVZQIYDPKUKYRE-INIZCTEOSA-N 2 2 342.487 3.393 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069748 1428317215 /nfs/dbraw/zinc/31/72/15/1428317215.db2.gz AVZQIYDPKUKYRE-INIZCTEOSA-N 2 2 342.487 3.393 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001732425585 1428575759 /nfs/dbraw/zinc/57/57/59/1428575759.db2.gz HHPWGRRXTJNIMV-GFCCVEGCSA-N 2 2 342.468 3.183 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699452502 1412794425 /nfs/dbraw/zinc/79/44/25/1412794425.db2.gz JKYLPCGYTKVJLV-INIZCTEOSA-N 2 2 342.487 3.359 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699452502 1412794431 /nfs/dbraw/zinc/79/44/31/1412794431.db2.gz JKYLPCGYTKVJLV-INIZCTEOSA-N 2 2 342.487 3.359 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001699863660 1413299476 /nfs/dbraw/zinc/29/94/76/1413299476.db2.gz DUJXVNOKTBAWOQ-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001700365380 1413888041 /nfs/dbraw/zinc/88/80/41/1413888041.db2.gz YXKZEORAHCIKOY-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001700365380 1413888044 /nfs/dbraw/zinc/88/80/44/1413888044.db2.gz YXKZEORAHCIKOY-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001700365378 1413888688 /nfs/dbraw/zinc/88/86/88/1413888688.db2.gz YXKZEORAHCIKOY-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001700365378 1413888700 /nfs/dbraw/zinc/88/87/00/1413888700.db2.gz YXKZEORAHCIKOY-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)c1ccccc1 ZINC001700995348 1414643304 /nfs/dbraw/zinc/64/33/04/1414643304.db2.gz PABUQWQUXKPXGD-DLBZAZTESA-N 2 2 342.487 3.224 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001732607579 1428863760 /nfs/dbraw/zinc/86/37/60/1428863760.db2.gz KWMSESMKSDXYOQ-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001732607579 1428863764 /nfs/dbraw/zinc/86/37/64/1428863764.db2.gz KWMSESMKSDXYOQ-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cs1 ZINC001733007043 1429127418 /nfs/dbraw/zinc/12/74/18/1429127418.db2.gz UANIIADUZMFDFI-ZDUSSCGKSA-N 2 2 331.485 3.285 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001713267101 1417876300 /nfs/dbraw/zinc/87/63/00/1417876300.db2.gz INUMWLCPROLZEM-QZTJIDSGSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001713289674 1417917032 /nfs/dbraw/zinc/91/70/32/1417917032.db2.gz PNXMCGXQVGIJFE-AOCRQIFASA-N 2 2 348.535 3.052 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NC1C[NH+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001713851910 1418647914 /nfs/dbraw/zinc/64/79/14/1418647914.db2.gz CJVAXMKNJZFBIW-IBGZPJMESA-N 2 2 345.531 3.306 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NC1C[NH+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001713851910 1418647918 /nfs/dbraw/zinc/64/79/18/1418647918.db2.gz CJVAXMKNJZFBIW-IBGZPJMESA-N 2 2 345.531 3.306 20 0 EGADLP C[C@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553827 1419281394 /nfs/dbraw/zinc/28/13/94/1419281394.db2.gz YVVTWNSATPZHRU-IRXDYDNUSA-N 2 2 342.487 3.212 20 0 EGADLP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553827 1419281396 /nfs/dbraw/zinc/28/13/96/1419281396.db2.gz YVVTWNSATPZHRU-IRXDYDNUSA-N 2 2 342.487 3.212 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001715098781 1419839768 /nfs/dbraw/zinc/83/97/68/1419839768.db2.gz ZZXITNLXYSLJFD-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)CC1 ZINC001715187388 1419920185 /nfs/dbraw/zinc/92/01/85/1419920185.db2.gz FYOPUPIUWFIGGP-WGSAOQKQSA-N 2 2 346.519 3.261 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001715343870 1420046184 /nfs/dbraw/zinc/04/61/84/1420046184.db2.gz ZFXJQHSDRHOVDR-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001715343870 1420046188 /nfs/dbraw/zinc/04/61/88/1420046188.db2.gz ZFXJQHSDRHOVDR-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC(C)C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715396044 1420093348 /nfs/dbraw/zinc/09/33/48/1420093348.db2.gz VBFQCICKODKXEY-SFHVURJKSA-N 2 2 348.535 3.289 20 0 EGADLP CCC(CC)C[N@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717206448 1421176925 /nfs/dbraw/zinc/17/69/25/1421176925.db2.gz KLNPTDPFGKKBJS-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717206448 1421176927 /nfs/dbraw/zinc/17/69/27/1421176927.db2.gz KLNPTDPFGKKBJS-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP CCC(CC)C[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717703722 1421577848 /nfs/dbraw/zinc/57/78/48/1421577848.db2.gz MEPUCWFNNUTKLZ-INIZCTEOSA-N 2 2 334.508 3.193 20 0 EGADLP CCC(CC)C[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001717703722 1421577850 /nfs/dbraw/zinc/57/78/50/1421577850.db2.gz MEPUCWFNNUTKLZ-INIZCTEOSA-N 2 2 334.508 3.193 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001731609008 1427655299 /nfs/dbraw/zinc/65/52/99/1427655299.db2.gz SJZWLALMTSJIHG-HZPDHXFCSA-N 2 2 336.439 3.112 20 0 EGADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731620008 1427668609 /nfs/dbraw/zinc/66/86/09/1427668609.db2.gz CIYWXFHMLUPQMR-GJZGRUSLSA-N 2 2 342.487 3.105 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001734104307 1437889990 /nfs/dbraw/zinc/88/99/90/1437889990.db2.gz SIAIESUVLVNRTK-SFHVURJKSA-N 2 2 334.508 3.070 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001734104307 1437889991 /nfs/dbraw/zinc/88/99/91/1437889991.db2.gz SIAIESUVLVNRTK-SFHVURJKSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001752156949 1440147351 /nfs/dbraw/zinc/14/73/51/1440147351.db2.gz JAPWBCWDKSNHSC-JKSUJKDBSA-N 2 2 334.508 3.138 20 0 EGADLP CCCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC(C)C)CC1 ZINC001752442289 1440181544 /nfs/dbraw/zinc/18/15/44/1440181544.db2.gz SNDAUBQZWVXQAL-UHFFFAOYSA-N 2 2 334.508 3.022 20 0 EGADLP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001752442217 1440181547 /nfs/dbraw/zinc/18/15/47/1440181547.db2.gz QDXXDBOBSMWOFL-GOSISDBHSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752514241 1440190662 /nfs/dbraw/zinc/19/06/62/1440190662.db2.gz PFEVFLRVXGCRCB-KRWDZBQOSA-N 2 2 342.487 3.164 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752514241 1440190663 /nfs/dbraw/zinc/19/06/63/1440190663.db2.gz PFEVFLRVXGCRCB-KRWDZBQOSA-N 2 2 342.487 3.164 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001752995308 1440261880 /nfs/dbraw/zinc/26/18/80/1440261880.db2.gz RSQMENBAARBHNY-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001752995308 1440261881 /nfs/dbraw/zinc/26/18/81/1440261881.db2.gz RSQMENBAARBHNY-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030602 1440272817 /nfs/dbraw/zinc/27/28/17/1440272817.db2.gz AHQHMGQTAHYZKY-IAGOWNOFSA-N 2 2 342.487 3.355 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030602 1440272818 /nfs/dbraw/zinc/27/28/18/1440272818.db2.gz AHQHMGQTAHYZKY-IAGOWNOFSA-N 2 2 342.487 3.355 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(C)c1 ZINC001753091029 1440298923 /nfs/dbraw/zinc/29/89/23/1440298923.db2.gz GNSQZJJUDODLKL-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(C)c1 ZINC001753091029 1440298924 /nfs/dbraw/zinc/29/89/24/1440298924.db2.gz GNSQZJJUDODLKL-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1cccc(C)c1 ZINC001753091029 1440298925 /nfs/dbraw/zinc/29/89/25/1440298925.db2.gz GNSQZJJUDODLKL-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1cccc(C)c1 ZINC001753091029 1440298926 /nfs/dbraw/zinc/29/89/26/1440298926.db2.gz GNSQZJJUDODLKL-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CCC[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCC(C)(C)C ZINC001753143611 1440322804 /nfs/dbraw/zinc/32/28/04/1440322804.db2.gz UYCCSUBBZYODHV-UHFFFAOYSA-N 2 2 348.535 3.026 20 0 EGADLP CCC[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCC(C)(C)C ZINC001753143611 1440322805 /nfs/dbraw/zinc/32/28/05/1440322805.db2.gz UYCCSUBBZYODHV-UHFFFAOYSA-N 2 2 348.535 3.026 20 0 EGADLP CC(C)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)C)cc1 ZINC001753294570 1440351767 /nfs/dbraw/zinc/35/17/67/1440351767.db2.gz PXQVYLCSJDYBFF-SFHVURJKSA-N 2 2 342.487 3.179 20 0 EGADLP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753442486 1440402174 /nfs/dbraw/zinc/40/21/74/1440402174.db2.gz DHKKWIIWJQWRQT-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753442486 1440402175 /nfs/dbraw/zinc/40/21/75/1440402175.db2.gz DHKKWIIWJQWRQT-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP O=C(NCc1ccc(C[NH2+]CCC2CC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001753589231 1440442270 /nfs/dbraw/zinc/44/22/70/1440442270.db2.gz RQPRWMSALPCWCQ-UHFFFAOYSA-N 2 2 348.450 3.383 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748595 1440481914 /nfs/dbraw/zinc/48/19/14/1440481914.db2.gz RDNKRGOHZBOOTD-KXBFYZLASA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748595 1440481915 /nfs/dbraw/zinc/48/19/15/1440481915.db2.gz RDNKRGOHZBOOTD-KXBFYZLASA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)C[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001753748697 1440481991 /nfs/dbraw/zinc/48/19/91/1440481991.db2.gz UBOJJKPBXGXHNR-WMZOPIPTSA-N 2 2 334.508 3.145 20 0 EGADLP CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC1CCC1 ZINC001753831788 1440499912 /nfs/dbraw/zinc/49/99/12/1440499912.db2.gz AQCIPFLIVVCERF-IBGZPJMESA-N 2 2 342.487 3.487 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001754018627 1440532195 /nfs/dbraw/zinc/53/21/95/1440532195.db2.gz WFQUMXAGMZWZQR-CHWSQXEVSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+][C@H]3CCc4ccccc43)ccn12 ZINC001754267178 1440560889 /nfs/dbraw/zinc/56/08/89/1440560889.db2.gz ABUQJTDDOPMBAT-LIRRHRJNSA-N 2 2 348.450 3.038 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001754345086 1440589595 /nfs/dbraw/zinc/58/95/95/1440589595.db2.gz HWFTZLCXHXNWBU-RTBURBONSA-N 2 2 344.503 3.038 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CCC2CCCCCC2)CC1)n1cc[nH+]c1 ZINC001754527724 1440621506 /nfs/dbraw/zinc/62/15/06/1440621506.db2.gz RFKQLPXLGZVODR-KRWDZBQOSA-N 2 2 346.519 3.433 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1)n1cc[nH+]c1 ZINC001754698146 1440667391 /nfs/dbraw/zinc/66/73/91/1440667391.db2.gz JMJHUPGFCIFSMZ-UYAOXDASSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001754947972 1440713955 /nfs/dbraw/zinc/71/39/55/1440713955.db2.gz CXYOZNABLMNSOD-HZPDHXFCSA-N 2 2 328.460 3.210 20 0 EGADLP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001754947973 1440714009 /nfs/dbraw/zinc/71/40/09/1440714009.db2.gz CXYOZNABLMNSOD-JKSUJKDBSA-N 2 2 328.460 3.210 20 0 EGADLP CCC[NH2+]C1(CC)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001755070495 1440746356 /nfs/dbraw/zinc/74/63/56/1440746356.db2.gz JEIHFWXFIBDMPY-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001755319322 1440817407 /nfs/dbraw/zinc/81/74/07/1440817407.db2.gz QKADJBGMBGSMTD-SJORKVTESA-N 2 2 348.535 3.487 20 0 EGADLP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001755319322 1440817408 /nfs/dbraw/zinc/81/74/08/1440817408.db2.gz QKADJBGMBGSMTD-SJORKVTESA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC001755342987 1440825948 /nfs/dbraw/zinc/82/59/48/1440825948.db2.gz OMTAAAFYMNSWRA-IBGZPJMESA-N 2 2 348.535 3.316 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC001755370287 1440837128 /nfs/dbraw/zinc/83/71/28/1440837128.db2.gz HJQCYSXCBNRQND-LJQANCHMSA-N 2 2 344.503 3.134 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC001755370287 1440837129 /nfs/dbraw/zinc/83/71/29/1440837129.db2.gz HJQCYSXCBNRQND-LJQANCHMSA-N 2 2 344.503 3.134 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755379033 1440838936 /nfs/dbraw/zinc/83/89/36/1440838936.db2.gz SLUZZLIAKIIRJR-GJZGRUSLSA-N 2 2 342.487 3.295 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413281 1440847270 /nfs/dbraw/zinc/84/72/70/1440847270.db2.gz WSRNJZHGDPJUON-LZYNDVPASA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413281 1440847271 /nfs/dbraw/zinc/84/72/71/1440847271.db2.gz WSRNJZHGDPJUON-LZYNDVPASA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413281 1440847272 /nfs/dbraw/zinc/84/72/72/1440847272.db2.gz WSRNJZHGDPJUON-LZYNDVPASA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413281 1440847273 /nfs/dbraw/zinc/84/72/73/1440847273.db2.gz WSRNJZHGDPJUON-LZYNDVPASA-N 2 2 344.503 3.086 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)[NH2+]CCC(C)(C)C)ccn12 ZINC001755587431 1440880640 /nfs/dbraw/zinc/88/06/40/1440880640.db2.gz CWSISEBCBBUWCT-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1=CCCCC1 ZINC001755593375 1440882006 /nfs/dbraw/zinc/88/20/06/1440882006.db2.gz WLDGLIBPNLWQAB-AWEZNQCLSA-N 2 2 326.444 3.113 20 0 EGADLP CCc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755607184 1440885935 /nfs/dbraw/zinc/88/59/35/1440885935.db2.gz QHXQFDPXBXOHGP-SJORKVTESA-N 2 2 342.487 3.033 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001755705003 1440902327 /nfs/dbraw/zinc/90/23/27/1440902327.db2.gz SVRPAPDOLJXMAX-AZUAARDMSA-N 2 2 346.519 3.213 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001755705003 1440902328 /nfs/dbraw/zinc/90/23/28/1440902328.db2.gz SVRPAPDOLJXMAX-AZUAARDMSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cccc2[nH+]cc(CN(Cc3ccco3)C3CC[NH+](C)CC3)n21 ZINC000368132102 168314859 /nfs/dbraw/zinc/31/48/59/168314859.db2.gz DNGYDXCHYUWUPJ-UHFFFAOYSA-N 2 2 338.455 3.332 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000368232535 168329153 /nfs/dbraw/zinc/32/91/53/168329153.db2.gz BQSCPKQXOPZDNO-KLIQENQMSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000368232535 168329155 /nfs/dbraw/zinc/32/91/55/168329155.db2.gz BQSCPKQXOPZDNO-KLIQENQMSA-N 2 2 340.471 3.329 20 0 EGADLP Cn1cc([C@H]2[C@H](C[N@H+](C)[C@@H]3C[C@@H]3c3ccccc3)CCC[NH+]2C)cn1 ZINC000368259966 168333525 /nfs/dbraw/zinc/33/35/25/168333525.db2.gz HMBRZIFEHZJBKD-OYNPSCLESA-N 2 2 338.499 3.291 20 0 EGADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@@H]3C[C@@H]3c3ccccc3)CCC[NH+]2C)cn1 ZINC000368259966 168333528 /nfs/dbraw/zinc/33/35/28/168333528.db2.gz HMBRZIFEHZJBKD-OYNPSCLESA-N 2 2 338.499 3.291 20 0 EGADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3C[C@@H]3c3ccccc3)CCC[N@@H+]2C)cn1 ZINC000368259966 168333531 /nfs/dbraw/zinc/33/35/31/168333531.db2.gz HMBRZIFEHZJBKD-OYNPSCLESA-N 2 2 338.499 3.291 20 0 EGADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3C[C@@H]3c3ccccc3)CCC[N@H+]2C)cn1 ZINC000368259966 168333533 /nfs/dbraw/zinc/33/35/33/168333533.db2.gz HMBRZIFEHZJBKD-OYNPSCLESA-N 2 2 338.499 3.291 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000181100200 529898852 /nfs/dbraw/zinc/89/88/52/529898852.db2.gz PDCYCPXSRMEAIQ-KRWDZBQOSA-N 2 2 348.516 3.170 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000181100200 529898853 /nfs/dbraw/zinc/89/88/53/529898853.db2.gz PDCYCPXSRMEAIQ-KRWDZBQOSA-N 2 2 348.516 3.170 20 0 EGADLP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178657616 232346017 /nfs/dbraw/zinc/34/60/17/232346017.db2.gz JFEMNRBQXFLKNF-QGZVFWFLSA-N 2 2 348.450 3.271 20 0 EGADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360717753 283000343 /nfs/dbraw/zinc/00/03/43/283000343.db2.gz JTCKDTCXIBEFQL-KRWDZBQOSA-N 2 2 329.419 3.405 20 0 EGADLP Fc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037904766 213172279 /nfs/dbraw/zinc/17/22/79/213172279.db2.gz HZFOMGNELHGQRU-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037904766 213172283 /nfs/dbraw/zinc/17/22/83/213172283.db2.gz HZFOMGNELHGQRU-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP COCc1cc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)ccc1OC ZINC000130647963 223167196 /nfs/dbraw/zinc/16/71/96/223167196.db2.gz RSWRCKYQYUIAGK-HNNXBMFYSA-N 2 2 339.439 3.383 20 0 EGADLP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000191638672 239227957 /nfs/dbraw/zinc/22/79/57/239227957.db2.gz JIFBNPOUURYZFA-HXUWFJFHSA-N 2 2 337.467 3.419 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832927 239327051 /nfs/dbraw/zinc/32/70/51/239327051.db2.gz XRHJDPSLXVHXHS-FXAWDEMLSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832927 239327058 /nfs/dbraw/zinc/32/70/58/239327058.db2.gz XRHJDPSLXVHXHS-FXAWDEMLSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000193257481 240081406 /nfs/dbraw/zinc/08/14/06/240081406.db2.gz RFYKWTLUKBMHOZ-LPHOPBHVSA-N 2 2 325.456 3.334 20 0 EGADLP C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1n1cc[nH+]c1 ZINC000193257481 240081413 /nfs/dbraw/zinc/08/14/13/240081413.db2.gz RFYKWTLUKBMHOZ-LPHOPBHVSA-N 2 2 325.456 3.334 20 0 EGADLP C[C@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359087970 241898552 /nfs/dbraw/zinc/89/85/52/241898552.db2.gz XNEMHHCBKKPTQB-INIZCTEOSA-N 2 2 346.434 3.065 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000230306966 242257797 /nfs/dbraw/zinc/25/77/97/242257797.db2.gz KUFKMVNPENEVJM-JTQLQIEISA-N 2 2 345.231 3.301 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000230306966 242257801 /nfs/dbraw/zinc/25/78/01/242257801.db2.gz KUFKMVNPENEVJM-JTQLQIEISA-N 2 2 345.231 3.301 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CC[NH2+]C(C)(C)C)cc1Br ZINC000230971756 242265527 /nfs/dbraw/zinc/26/55/27/242265527.db2.gz UNDLXJXCRVGXLC-NSHDSACASA-N 2 2 329.282 3.496 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000133684919 223437990 /nfs/dbraw/zinc/43/79/90/223437990.db2.gz LAPXNEPYROULIH-OSAQELSMSA-N 2 2 326.893 3.234 20 0 EGADLP O=C(NC[C@H]1CCC[NH2+]1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262538171 245023825 /nfs/dbraw/zinc/02/38/25/245023825.db2.gz QQRBTAGEPKXZMI-CYBMUJFWSA-N 2 2 331.803 3.009 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000262718057 245142135 /nfs/dbraw/zinc/14/21/35/245142135.db2.gz WWNXWKNKCIQMMX-SFHVURJKSA-N 2 2 346.500 3.231 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000262718057 245142140 /nfs/dbraw/zinc/14/21/40/245142140.db2.gz WWNXWKNKCIQMMX-SFHVURJKSA-N 2 2 346.500 3.231 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)cc1Cl ZINC000135147601 223553785 /nfs/dbraw/zinc/55/37/85/223553785.db2.gz QGIHBMHPDYEPLO-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000352168305 284336202 /nfs/dbraw/zinc/33/62/02/284336202.db2.gz QIBUNLMJKPUKDJ-KRWDZBQOSA-N 2 2 349.438 3.475 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC000110820488 220068711 /nfs/dbraw/zinc/06/87/11/220068711.db2.gz XWMHOBAVJALBRZ-INIZCTEOSA-N 2 2 334.261 3.183 20 0 EGADLP Fc1ccc(C[NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1F ZINC000263731780 245595478 /nfs/dbraw/zinc/59/54/78/245595478.db2.gz CQUMRJAVUYGHPI-UHFFFAOYSA-N 2 2 343.381 3.313 20 0 EGADLP CC[N@@H+]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264905589 247030053 /nfs/dbraw/zinc/03/00/53/247030053.db2.gz LJGQYOVGFVQVCD-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP CC[N@H+]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264905589 247030057 /nfs/dbraw/zinc/03/00/57/247030057.db2.gz LJGQYOVGFVQVCD-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000266156943 248136945 /nfs/dbraw/zinc/13/69/45/248136945.db2.gz OLIMNSBNRSHCJJ-GFCCVEGCSA-N 2 2 343.393 3.106 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012368 /nfs/dbraw/zinc/01/23/68/169012368.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012369 /nfs/dbraw/zinc/01/23/69/169012369.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012370 /nfs/dbraw/zinc/01/23/70/169012370.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377337843 169012371 /nfs/dbraw/zinc/01/23/71/169012371.db2.gz QNMJBWDYZYNRPO-LEWJYISDSA-N 3 2 338.499 3.036 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366567 169107861 /nfs/dbraw/zinc/10/78/61/169107861.db2.gz BCTLRWBYOGATRG-XOKHGSTOSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366567 169107863 /nfs/dbraw/zinc/10/78/63/169107863.db2.gz BCTLRWBYOGATRG-XOKHGSTOSA-N 2 2 326.843 3.163 20 0 EGADLP CCOc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000092253469 218130696 /nfs/dbraw/zinc/13/06/96/218130696.db2.gz PEOACJHJJDVFHZ-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000092253469 218130697 /nfs/dbraw/zinc/13/06/97/218130697.db2.gz PEOACJHJJDVFHZ-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000092253469 218130698 /nfs/dbraw/zinc/13/06/98/218130698.db2.gz PEOACJHJJDVFHZ-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000092253469 218130699 /nfs/dbraw/zinc/13/06/99/218130699.db2.gz PEOACJHJJDVFHZ-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000092665610 218157503 /nfs/dbraw/zinc/15/75/03/218157503.db2.gz BKHOXHGRRIEMBZ-YQHFQFMOSA-N 2 2 345.506 3.329 20 0 EGADLP COCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000093336747 218215971 /nfs/dbraw/zinc/21/59/71/218215971.db2.gz DPIOGSYVSKZFNG-GOSISDBHSA-N 2 2 328.456 3.380 20 0 EGADLP COCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000093336747 218215973 /nfs/dbraw/zinc/21/59/73/218215973.db2.gz DPIOGSYVSKZFNG-GOSISDBHSA-N 2 2 328.456 3.380 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000093336747 218215976 /nfs/dbraw/zinc/21/59/76/218215976.db2.gz DPIOGSYVSKZFNG-GOSISDBHSA-N 2 2 328.456 3.380 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000093336747 218215977 /nfs/dbraw/zinc/21/59/77/218215977.db2.gz DPIOGSYVSKZFNG-GOSISDBHSA-N 2 2 328.456 3.380 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597978 218234141 /nfs/dbraw/zinc/23/41/41/218234141.db2.gz POHKADZTMWFQOX-CYBMUJFWSA-N 2 2 339.277 3.072 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597978 218234144 /nfs/dbraw/zinc/23/41/44/218234144.db2.gz POHKADZTMWFQOX-CYBMUJFWSA-N 2 2 339.277 3.072 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770317 218247956 /nfs/dbraw/zinc/24/79/56/218247956.db2.gz AIDMXCNYBIEVQX-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770317 218247958 /nfs/dbraw/zinc/24/79/58/218247958.db2.gz AIDMXCNYBIEVQX-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770317 218247960 /nfs/dbraw/zinc/24/79/60/218247960.db2.gz AIDMXCNYBIEVQX-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770317 218247962 /nfs/dbraw/zinc/24/79/62/218247962.db2.gz AIDMXCNYBIEVQX-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000268715455 252165919 /nfs/dbraw/zinc/16/59/19/252165919.db2.gz GMXICWUOCSYAFS-UHFFFAOYSA-N 3 2 335.923 3.380 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000268787855 252237738 /nfs/dbraw/zinc/23/77/38/252237738.db2.gz WOEOYOHIMAGCSY-CRAIPNDOSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000268787855 252237741 /nfs/dbraw/zinc/23/77/41/252237741.db2.gz WOEOYOHIMAGCSY-CRAIPNDOSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268791875 252242179 /nfs/dbraw/zinc/24/21/79/252242179.db2.gz YKDKKZRHLGEDCS-MAUKXSAKSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268791875 252242181 /nfs/dbraw/zinc/24/21/81/252242181.db2.gz YKDKKZRHLGEDCS-MAUKXSAKSA-N 2 2 330.497 3.126 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000268833297 252281888 /nfs/dbraw/zinc/28/18/88/252281888.db2.gz STUAPIAJVKBSPO-INIZCTEOSA-N 3 2 330.501 3.006 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268879566 252326599 /nfs/dbraw/zinc/32/65/99/252326599.db2.gz RAFCZEXVFLTDBK-YLJYHZDGSA-N 3 2 326.488 3.224 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268879566 252326602 /nfs/dbraw/zinc/32/66/02/252326602.db2.gz RAFCZEXVFLTDBK-YLJYHZDGSA-N 3 2 326.488 3.224 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000118988379 221218302 /nfs/dbraw/zinc/21/83/02/221218302.db2.gz WAFWHEJAUVMQLN-DOMZBBRYSA-N 2 2 328.403 3.117 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000118988379 221218306 /nfs/dbraw/zinc/21/83/06/221218306.db2.gz WAFWHEJAUVMQLN-DOMZBBRYSA-N 2 2 328.403 3.117 20 0 EGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cncc(F)c1 ZINC000164403448 533358433 /nfs/dbraw/zinc/35/84/33/533358433.db2.gz PTQZFCGJUJFTTF-MRXNPFEDSA-N 2 2 335.467 3.154 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246599841 141017846 /nfs/dbraw/zinc/01/78/46/141017846.db2.gz DBKWOGKEKRQZDR-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246599841 141017850 /nfs/dbraw/zinc/01/78/50/141017850.db2.gz DBKWOGKEKRQZDR-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246599841 141017854 /nfs/dbraw/zinc/01/78/54/141017854.db2.gz DBKWOGKEKRQZDR-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246599841 141017858 /nfs/dbraw/zinc/01/78/58/141017858.db2.gz DBKWOGKEKRQZDR-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000246608152 141018214 /nfs/dbraw/zinc/01/82/14/141018214.db2.gz WQGVJISQZHMPSL-UFYCRDLUSA-N 2 2 346.540 3.295 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000246608152 141018219 /nfs/dbraw/zinc/01/82/19/141018219.db2.gz WQGVJISQZHMPSL-UFYCRDLUSA-N 2 2 346.540 3.295 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000246608140 141018803 /nfs/dbraw/zinc/01/88/03/141018803.db2.gz WQGVJISQZHMPSL-AABGKKOBSA-N 2 2 346.540 3.295 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)C2)cc1 ZINC000246608140 141018806 /nfs/dbraw/zinc/01/88/06/141018806.db2.gz WQGVJISQZHMPSL-AABGKKOBSA-N 2 2 346.540 3.295 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)ccc1-n1cc[nH+]c1 ZINC000337846349 141066311 /nfs/dbraw/zinc/06/63/11/141066311.db2.gz HYNHHXVYLVAJHS-QGZVFWFLSA-N 2 2 337.398 3.495 20 0 EGADLP COC(=O)[C@]12C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]1CCCC2 ZINC000342829066 141151870 /nfs/dbraw/zinc/15/18/70/141151870.db2.gz ZPBPUEGHZAYYCJ-KBXCAEBGSA-N 2 2 345.468 3.099 20 0 EGADLP COC(=O)[C@]12C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@H]1CCCC2 ZINC000342829066 141151871 /nfs/dbraw/zinc/15/18/71/141151871.db2.gz ZPBPUEGHZAYYCJ-KBXCAEBGSA-N 2 2 345.468 3.099 20 0 EGADLP C[NH+](C)[C@@H](CNc1[nH+]cnc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000346210142 141181262 /nfs/dbraw/zinc/18/12/62/141181262.db2.gz HBZTVMVRRHDJLC-AWEZNQCLSA-N 2 2 349.360 3.113 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000348028476 141234625 /nfs/dbraw/zinc/23/46/25/141234625.db2.gz UEWXHKFOLUPGPN-SJORKVTESA-N 2 2 337.552 3.076 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000348028476 141234627 /nfs/dbraw/zinc/23/46/27/141234627.db2.gz UEWXHKFOLUPGPN-SJORKVTESA-N 2 2 337.552 3.076 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934033 141271756 /nfs/dbraw/zinc/27/17/56/141271756.db2.gz UCNCXRMVCGZGDT-JXFKEZNVSA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934033 141271758 /nfs/dbraw/zinc/27/17/58/141271758.db2.gz UCNCXRMVCGZGDT-JXFKEZNVSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934033 141271760 /nfs/dbraw/zinc/27/17/60/141271760.db2.gz UCNCXRMVCGZGDT-JXFKEZNVSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934033 141271762 /nfs/dbraw/zinc/27/17/62/141271762.db2.gz UCNCXRMVCGZGDT-JXFKEZNVSA-N 2 2 325.431 3.414 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c[nH+]1 ZINC000353451291 141298391 /nfs/dbraw/zinc/29/83/91/141298391.db2.gz WJKSEKSGQMKNJO-UHFFFAOYSA-N 2 2 337.467 3.171 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c[nH+]1 ZINC000353451291 141298393 /nfs/dbraw/zinc/29/83/93/141298393.db2.gz WJKSEKSGQMKNJO-UHFFFAOYSA-N 2 2 337.467 3.171 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](CO)c2ccc(Br)cc2)c[nH+]1 ZINC000354563678 141306900 /nfs/dbraw/zinc/30/69/00/141306900.db2.gz HOKZLIFUTLUODV-QGZVFWFLSA-N 2 2 349.272 3.408 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000171960715 144013799 /nfs/dbraw/zinc/01/37/99/144013799.db2.gz PHHUZOUASXURMA-UHFFFAOYSA-N 2 2 349.276 3.032 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643239 144045623 /nfs/dbraw/zinc/04/56/23/144045623.db2.gz VQYINFXYAGYYPZ-QUCCMNQESA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643239 144045624 /nfs/dbraw/zinc/04/56/24/144045624.db2.gz VQYINFXYAGYYPZ-QUCCMNQESA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643239 144045626 /nfs/dbraw/zinc/04/56/26/144045626.db2.gz VQYINFXYAGYYPZ-QUCCMNQESA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173643239 144045628 /nfs/dbraw/zinc/04/56/28/144045628.db2.gz VQYINFXYAGYYPZ-QUCCMNQESA-N 2 2 345.531 3.148 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000178419994 144070963 /nfs/dbraw/zinc/07/09/63/144070963.db2.gz CNKUJGSBVPRMRI-JSGCOSHPSA-N 2 2 333.423 3.135 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000178419994 144070964 /nfs/dbraw/zinc/07/09/64/144070964.db2.gz CNKUJGSBVPRMRI-JSGCOSHPSA-N 2 2 333.423 3.135 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@@H+]1C ZINC000344631863 144202394 /nfs/dbraw/zinc/20/23/94/144202394.db2.gz PCZJNXGHRKPEBH-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@H+]1C ZINC000344631863 144202395 /nfs/dbraw/zinc/20/23/95/144202395.db2.gz PCZJNXGHRKPEBH-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@@H+]1C ZINC000344687676 144209898 /nfs/dbraw/zinc/20/98/98/144209898.db2.gz UIHFDPWKYHGTLL-SJLPKXTDSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000344687676 144209899 /nfs/dbraw/zinc/20/98/99/144209899.db2.gz UIHFDPWKYHGTLL-SJLPKXTDSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1cnc([C@@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000351571811 144281760 /nfs/dbraw/zinc/28/17/60/144281760.db2.gz AZYVWALOICOFSX-AWEZNQCLSA-N 2 2 330.501 3.204 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1F ZINC000351608535 144287707 /nfs/dbraw/zinc/28/77/07/144287707.db2.gz NRIMOXJYFYCWPA-YRISNDGFSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1F ZINC000351608535 144287709 /nfs/dbraw/zinc/28/77/09/144287709.db2.gz NRIMOXJYFYCWPA-YRISNDGFSA-N 2 2 342.458 3.359 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878640 144319636 /nfs/dbraw/zinc/31/96/36/144319636.db2.gz FJEYBKVQUZMDRK-NHCUHLMSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878640 144319637 /nfs/dbraw/zinc/31/96/37/144319637.db2.gz FJEYBKVQUZMDRK-NHCUHLMSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000351878640 144319639 /nfs/dbraw/zinc/31/96/39/144319639.db2.gz FJEYBKVQUZMDRK-NHCUHLMSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000351878640 144319640 /nfs/dbraw/zinc/31/96/40/144319640.db2.gz FJEYBKVQUZMDRK-NHCUHLMSSA-N 2 2 336.483 3.272 20 0 EGADLP c1cc(N2CC[NH+](CCC[NH2+]CCC3CCCCC3)CC2)cc[nH+]1 ZINC000361581960 144331680 /nfs/dbraw/zinc/33/16/80/144331680.db2.gz HYULLPABAKCMOA-UHFFFAOYSA-N 3 2 330.520 3.154 20 0 EGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000363757766 144362659 /nfs/dbraw/zinc/36/26/59/144362659.db2.gz NRMFAVQWRAXSKW-LSDHHAIUSA-N 2 2 329.444 3.437 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1C ZINC000341113027 155166241 /nfs/dbraw/zinc/16/62/41/155166241.db2.gz DMDMPTRZBBBQBK-IRXDYDNUSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CNc2ccc(C[NH+]3CCSCC3)cc2C)n1C ZINC000341381244 155258560 /nfs/dbraw/zinc/25/85/60/155258560.db2.gz CLBZCUPBZDGLJI-UHFFFAOYSA-N 2 2 330.501 3.198 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(CC)n3)CC2)cc1 ZINC000341454319 155301633 /nfs/dbraw/zinc/30/16/33/155301633.db2.gz KPFMEVUUHJONCL-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCCNc3ccccc3)c12 ZINC000119172956 152181429 /nfs/dbraw/zinc/18/14/29/152181429.db2.gz UMBQEWBVPLYRLJ-UHFFFAOYSA-N 2 2 345.410 3.125 20 0 EGADLP CN(C)[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456500 152277232 /nfs/dbraw/zinc/27/72/32/152277232.db2.gz WZPDVJCXOZPKGJ-OALUTQOASA-N 2 2 327.472 3.137 20 0 EGADLP CN(C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456500 152277234 /nfs/dbraw/zinc/27/72/34/152277234.db2.gz WZPDVJCXOZPKGJ-OALUTQOASA-N 2 2 327.472 3.137 20 0 EGADLP C[NH+](C)CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000341604120 155379255 /nfs/dbraw/zinc/37/92/55/155379255.db2.gz YIXMXFIJDPEPMP-IBGZPJMESA-N 3 2 332.536 3.002 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H](CNc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000192959172 153271446 /nfs/dbraw/zinc/27/14/46/153271446.db2.gz HGWFWJZKYCJDKV-GOSISDBHSA-N 2 2 337.471 3.011 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H](CNc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000192959172 153271452 /nfs/dbraw/zinc/27/14/52/153271452.db2.gz HGWFWJZKYCJDKV-GOSISDBHSA-N 2 2 337.471 3.011 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H](CNc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000192959172 153271459 /nfs/dbraw/zinc/27/14/59/153271459.db2.gz HGWFWJZKYCJDKV-GOSISDBHSA-N 2 2 337.471 3.011 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H](CNc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000192959172 153271465 /nfs/dbraw/zinc/27/14/65/153271465.db2.gz HGWFWJZKYCJDKV-GOSISDBHSA-N 2 2 337.471 3.011 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000237979019 153549349 /nfs/dbraw/zinc/54/93/49/153549349.db2.gz IXOCWDOLOVFGKS-JKSUJKDBSA-N 2 2 338.455 3.342 20 0 EGADLP O[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000305147622 154086811 /nfs/dbraw/zinc/08/68/11/154086811.db2.gz NUAGBJDCGSWKEL-QFBILLFUSA-N 2 2 336.907 3.445 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2c1 ZINC000327394923 154186846 /nfs/dbraw/zinc/18/68/46/154186846.db2.gz DCADPHITQYDSPL-NYSBEXSLSA-N 2 2 340.467 3.362 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)ccc2c1 ZINC000327394923 154186850 /nfs/dbraw/zinc/18/68/50/154186850.db2.gz DCADPHITQYDSPL-NYSBEXSLSA-N 2 2 340.467 3.362 20 0 EGADLP Cc1[nH+]cc(CNC[C@@H](C(C)C)[NH+]2CCCC2)n1-c1ccccc1 ZINC000336876556 154226289 /nfs/dbraw/zinc/22/62/89/154226289.db2.gz GYKBQHOUOHJLFZ-FQEVSTJZSA-N 2 2 326.488 3.391 20 0 EGADLP Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c(F)c1 ZINC000337376152 154319684 /nfs/dbraw/zinc/31/96/84/154319684.db2.gz AMJBCTWWDSUYRO-UHFFFAOYSA-N 2 2 338.321 3.101 20 0 EGADLP c1[nH]nc2c1cccc2C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337386099 154324752 /nfs/dbraw/zinc/32/47/52/154324752.db2.gz LJVRBIPDUNKJBV-KRWDZBQOSA-N 2 2 335.455 3.475 20 0 EGADLP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337386099 154324755 /nfs/dbraw/zinc/32/47/55/154324755.db2.gz LJVRBIPDUNKJBV-KRWDZBQOSA-N 2 2 335.455 3.475 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)oc1C ZINC000337449252 154358828 /nfs/dbraw/zinc/35/88/28/154358828.db2.gz HITNZPOFALULIB-DBVUQKKJSA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)oc1C ZINC000337449252 154358831 /nfs/dbraw/zinc/35/88/31/154358831.db2.gz HITNZPOFALULIB-DBVUQKKJSA-N 2 2 342.483 3.430 20 0 EGADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000337507461 154389241 /nfs/dbraw/zinc/38/92/41/154389241.db2.gz PTCHGMDEKOGKRA-MRXNPFEDSA-N 2 2 327.472 3.446 20 0 EGADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000337507461 154389243 /nfs/dbraw/zinc/38/92/43/154389243.db2.gz PTCHGMDEKOGKRA-MRXNPFEDSA-N 2 2 327.472 3.446 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000347017497 156251847 /nfs/dbraw/zinc/25/18/47/156251847.db2.gz DQIOVJGYECUTHT-CABZTGNLSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000347017497 156251853 /nfs/dbraw/zinc/25/18/53/156251853.db2.gz DQIOVJGYECUTHT-CABZTGNLSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1C1CC1 ZINC000365626632 157195987 /nfs/dbraw/zinc/19/59/87/157195987.db2.gz JECYAXPGXDFRBB-MRXNPFEDSA-N 2 2 340.471 3.236 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1C1CC1 ZINC000365626632 157195990 /nfs/dbraw/zinc/19/59/90/157195990.db2.gz JECYAXPGXDFRBB-MRXNPFEDSA-N 2 2 340.471 3.236 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000109793164 162112525 /nfs/dbraw/zinc/11/25/25/162112525.db2.gz SFPJJJKWEIPLRK-HXUWFJFHSA-N 2 2 340.471 3.034 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243479 162149946 /nfs/dbraw/zinc/14/99/46/162149946.db2.gz YJFNTNBSOMDISC-SJORKVTESA-N 2 2 340.471 3.094 20 0 EGADLP CCS[C@@H](C)c1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000121836542 162248590 /nfs/dbraw/zinc/24/85/90/162248590.db2.gz QOIYRLQEEOSNCO-ZDUSSCGKSA-N 2 2 326.510 3.047 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130966703 162385400 /nfs/dbraw/zinc/38/54/00/162385400.db2.gz OYADHTLNFGPEIF-CQSZACIVSA-N 2 2 335.411 3.214 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000248522156 163011595 /nfs/dbraw/zinc/01/15/95/163011595.db2.gz RUYLARQKZLAENR-IIDMSEBBSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000248522156 163011596 /nfs/dbraw/zinc/01/15/96/163011596.db2.gz RUYLARQKZLAENR-IIDMSEBBSA-N 2 2 344.528 3.450 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337201527 163161954 /nfs/dbraw/zinc/16/19/54/163161954.db2.gz DBCXYCYPLPJBJG-HNNXBMFYSA-N 2 2 335.517 3.153 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337201527 163161956 /nfs/dbraw/zinc/16/19/56/163161956.db2.gz DBCXYCYPLPJBJG-HNNXBMFYSA-N 2 2 335.517 3.153 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354336651 166004912 /nfs/dbraw/zinc/00/49/12/166004912.db2.gz YFYRGOSMAMFHFU-FPAYPSAMSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354336651 166004914 /nfs/dbraw/zinc/00/49/14/166004914.db2.gz YFYRGOSMAMFHFU-FPAYPSAMSA-N 2 2 332.488 3.074 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000342144494 287018454 /nfs/dbraw/zinc/01/84/54/287018454.db2.gz UEEATOGJMRJVJL-WDEREUQCSA-N 2 2 346.500 3.054 20 0 EGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)CC1 ZINC000343693649 164014681 /nfs/dbraw/zinc/01/46/81/164014681.db2.gz CAKIUOFQKKXMJW-UHFFFAOYSA-N 2 2 348.560 3.011 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000343716714 164018853 /nfs/dbraw/zinc/01/88/53/164018853.db2.gz JGNQVALIQSOQRW-ZDUSSCGKSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CCN1C1CC[NH+](C)CC1 ZINC000343716714 164018855 /nfs/dbraw/zinc/01/88/55/164018855.db2.gz JGNQVALIQSOQRW-ZDUSSCGKSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000345744548 164257195 /nfs/dbraw/zinc/25/71/95/164257195.db2.gz YTULQINIIGUFDD-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000345744548 164257197 /nfs/dbraw/zinc/25/71/97/164257197.db2.gz YTULQINIIGUFDD-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000345744548 164257199 /nfs/dbraw/zinc/25/71/99/164257199.db2.gz YTULQINIIGUFDD-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345744548 164257200 /nfs/dbraw/zinc/25/72/00/164257200.db2.gz YTULQINIIGUFDD-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc3c(s1)C[C@@H](C)CC3)CCC2 ZINC000345835257 164275179 /nfs/dbraw/zinc/27/51/79/164275179.db2.gz CTBZXPOUDRGMIC-GXTWGEPZSA-N 2 2 330.501 3.440 20 0 EGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000345886950 164287684 /nfs/dbraw/zinc/28/76/84/164287684.db2.gz OYQLSKHIRWNHFJ-UHFFFAOYSA-N 2 2 339.487 3.174 20 0 EGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000345886950 164287686 /nfs/dbraw/zinc/28/76/86/164287686.db2.gz OYQLSKHIRWNHFJ-UHFFFAOYSA-N 2 2 339.487 3.174 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000354855655 166049680 /nfs/dbraw/zinc/04/96/80/166049680.db2.gz UWTVYPUDZUCHLD-RDTXWAMCSA-N 2 2 349.438 3.132 20 0 EGADLP C[C@@H]1[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@@H+]1C ZINC000346345676 164372456 /nfs/dbraw/zinc/37/24/56/164372456.db2.gz WZUSVDVKQHMMFR-RDTXWAMCSA-N 2 2 349.906 3.017 20 0 EGADLP C[C@@H]1[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@H+]1C ZINC000346345676 164372457 /nfs/dbraw/zinc/37/24/57/164372457.db2.gz WZUSVDVKQHMMFR-RDTXWAMCSA-N 2 2 349.906 3.017 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)N(Cc3ccccc3)C1)CCC2 ZINC000346702290 164418598 /nfs/dbraw/zinc/41/85/98/164418598.db2.gz SZDHYRGYVFSZIX-YSIASYRMSA-N 2 2 338.499 3.322 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000351330701 165098100 /nfs/dbraw/zinc/09/81/00/165098100.db2.gz QNNXDGVXEYYNEH-IBGZPJMESA-N 2 2 346.519 3.395 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000351330701 165098107 /nfs/dbraw/zinc/09/81/07/165098107.db2.gz QNNXDGVXEYYNEH-IBGZPJMESA-N 2 2 346.519 3.395 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000352171916 165266614 /nfs/dbraw/zinc/26/66/14/165266614.db2.gz SNTVXEXMMCAHFH-SFHVURJKSA-N 2 2 346.519 3.245 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)n2c1 ZINC000352296505 165330586 /nfs/dbraw/zinc/33/05/86/165330586.db2.gz FGHWEFJYUNVCTN-BZSNNMDCSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000352297941 165331027 /nfs/dbraw/zinc/33/10/27/165331027.db2.gz QZMJIJKPWHOHLN-BQFCYCMXSA-N 2 2 326.488 3.480 20 0 EGADLP C[C@H]1OCC[C@@]12C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218215 166137680 /nfs/dbraw/zinc/13/76/80/166137680.db2.gz KUPRNJYINJBUPR-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1OCC[C@@]12C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218215 166137683 /nfs/dbraw/zinc/13/76/83/166137683.db2.gz KUPRNJYINJBUPR-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1OCC[C@@]12C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CCO2 ZINC000355218215 166137684 /nfs/dbraw/zinc/13/76/84/166137684.db2.gz KUPRNJYINJBUPR-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1OCC[C@@]12C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CCO2 ZINC000355218215 166137688 /nfs/dbraw/zinc/13/76/88/166137688.db2.gz KUPRNJYINJBUPR-WIYYLYMNSA-N 2 2 346.515 3.024 20 0 EGADLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cc[nH+]c(C)c3Cl)CC2)no1 ZINC000355660995 166277293 /nfs/dbraw/zinc/27/72/93/166277293.db2.gz XLZNOXVHDNWBPR-CQSZACIVSA-N 2 2 349.866 3.226 20 0 EGADLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cc[nH+]c(C)c3Cl)CC2)no1 ZINC000355660995 166277295 /nfs/dbraw/zinc/27/72/95/166277295.db2.gz XLZNOXVHDNWBPR-CQSZACIVSA-N 2 2 349.866 3.226 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000357026960 166565772 /nfs/dbraw/zinc/56/57/72/166565772.db2.gz NUKPNBDRBKZKOC-KURKYZTESA-N 2 2 330.451 3.111 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccsc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000359733115 167216752 /nfs/dbraw/zinc/21/67/52/167216752.db2.gz GDRDDXUMEYWNBQ-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccsc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000359733115 167216754 /nfs/dbraw/zinc/21/67/54/167216754.db2.gz GDRDDXUMEYWNBQ-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP Cc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000359835249 167245176 /nfs/dbraw/zinc/24/51/76/167245176.db2.gz ISAMEIBUMXUKQQ-GOSISDBHSA-N 2 2 336.483 3.020 20 0 EGADLP Cc1nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000359835249 167245179 /nfs/dbraw/zinc/24/51/79/167245179.db2.gz ISAMEIBUMXUKQQ-GOSISDBHSA-N 2 2 336.483 3.020 20 0 EGADLP C[N@H+](Cc1cc(Br)cc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000359880047 167256561 /nfs/dbraw/zinc/25/65/61/167256561.db2.gz PGKHDXRHPAGWMJ-OAHLLOKOSA-N 2 2 334.261 3.166 20 0 EGADLP C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@H](C[NH3+])C1CC1 ZINC000359880047 167256564 /nfs/dbraw/zinc/25/65/64/167256564.db2.gz PGKHDXRHPAGWMJ-OAHLLOKOSA-N 2 2 334.261 3.166 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC000360238644 167279236 /nfs/dbraw/zinc/27/92/36/167279236.db2.gz OKXJOJISAXNXBP-QGZVFWFLSA-N 2 2 336.907 3.286 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250234 167282095 /nfs/dbraw/zinc/28/20/95/167282095.db2.gz OHSQGAMJGJDUHZ-CJNGLKHVSA-N 2 2 331.287 3.491 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1C ZINC000360347738 167308497 /nfs/dbraw/zinc/30/84/97/167308497.db2.gz UXYKJLULACGWHH-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360546932 167354148 /nfs/dbraw/zinc/35/41/48/167354148.db2.gz PELPCBKPDVSGOK-PZJWPPBQSA-N 2 2 335.451 3.052 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360546932 167354151 /nfs/dbraw/zinc/35/41/51/167354151.db2.gz PELPCBKPDVSGOK-PZJWPPBQSA-N 2 2 335.451 3.052 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000360601155 167367270 /nfs/dbraw/zinc/36/72/70/167367270.db2.gz YDTZUOWGGYDTIQ-OAHLLOKOSA-N 2 2 331.485 3.339 20 0 EGADLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000360644715 167377549 /nfs/dbraw/zinc/37/75/49/167377549.db2.gz XLJZNJAEMFQTNQ-GOSISDBHSA-N 2 2 329.444 3.006 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000364946795 168003674 /nfs/dbraw/zinc/00/36/74/168003674.db2.gz GTPRDTPPSQXUPF-SFHVURJKSA-N 2 2 335.455 3.245 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000364946795 168003676 /nfs/dbraw/zinc/00/36/76/168003676.db2.gz GTPRDTPPSQXUPF-SFHVURJKSA-N 2 2 335.455 3.245 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cn1 ZINC000365115957 168024160 /nfs/dbraw/zinc/02/41/60/168024160.db2.gz XGBREXQJQVHZCY-GOSISDBHSA-N 2 2 341.459 3.025 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365803055 168044668 /nfs/dbraw/zinc/04/46/68/168044668.db2.gz WOWDHEHGIWTVCH-QFIPXVFZSA-N 2 2 347.462 3.317 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365803055 168044671 /nfs/dbraw/zinc/04/46/71/168044671.db2.gz WOWDHEHGIWTVCH-QFIPXVFZSA-N 2 2 347.462 3.317 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365973319 168066239 /nfs/dbraw/zinc/06/62/39/168066239.db2.gz VJGVAQSYZXALOM-OAHLLOKOSA-N 2 2 338.377 3.279 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365973319 168066241 /nfs/dbraw/zinc/06/62/41/168066241.db2.gz VJGVAQSYZXALOM-OAHLLOKOSA-N 2 2 338.377 3.279 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000365997988 168069805 /nfs/dbraw/zinc/06/98/05/168069805.db2.gz DMPDTWDQRNUPNR-CYBMUJFWSA-N 2 2 328.416 3.255 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366211146 168094490 /nfs/dbraw/zinc/09/44/90/168094490.db2.gz QMJGJJYXLUWRAX-HKUYNNGSSA-N 2 2 345.462 3.445 20 0 EGADLP Cc1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000367381242 168217930 /nfs/dbraw/zinc/21/79/30/168217930.db2.gz WWABCSNBHOEQRG-UHFFFAOYSA-N 2 2 342.512 3.335 20 0 EGADLP Cc1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000367381242 168217932 /nfs/dbraw/zinc/21/79/32/168217932.db2.gz WWABCSNBHOEQRG-UHFFFAOYSA-N 2 2 342.512 3.335 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436618 168224843 /nfs/dbraw/zinc/22/48/43/168224843.db2.gz GNRYQWPDGKTMBY-IEBWSBKVSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436618 168224844 /nfs/dbraw/zinc/22/48/44/168224844.db2.gz GNRYQWPDGKTMBY-IEBWSBKVSA-N 3 2 338.499 3.220 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367434931 168224903 /nfs/dbraw/zinc/22/49/03/168224903.db2.gz AEFSQMVUOIUJQA-MRXNPFEDSA-N 2 2 343.471 3.348 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438987 168226015 /nfs/dbraw/zinc/22/60/15/168226015.db2.gz QSCJLNGLNITYPR-HNNXBMFYSA-N 2 2 340.471 3.289 20 0 EGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000367450206 168227734 /nfs/dbraw/zinc/22/77/34/168227734.db2.gz HDCUDTABNCXRBY-FUHWJXTLSA-N 2 2 327.476 3.002 20 0 EGADLP CC(C)n1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000367450206 168227735 /nfs/dbraw/zinc/22/77/35/168227735.db2.gz HDCUDTABNCXRBY-FUHWJXTLSA-N 2 2 327.476 3.002 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490803 168233323 /nfs/dbraw/zinc/23/33/23/168233323.db2.gz PNOPKVBXKOTKBO-ZENOOKHLSA-N 2 2 326.843 3.383 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490803 168233324 /nfs/dbraw/zinc/23/33/24/168233324.db2.gz PNOPKVBXKOTKBO-ZENOOKHLSA-N 2 2 326.843 3.383 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000124224675 222394263 /nfs/dbraw/zinc/39/42/63/222394263.db2.gz CJKAVIAQWXRJEM-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000124224675 222394265 /nfs/dbraw/zinc/39/42/65/222394265.db2.gz CJKAVIAQWXRJEM-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)Cn1cc[nH+]c1 ZINC000180147737 265397582 /nfs/dbraw/zinc/39/75/82/265397582.db2.gz GQYAJRFIFQYBLT-XYTVBORESA-N 2 2 348.491 3.039 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000186234355 265520380 /nfs/dbraw/zinc/52/03/80/265520380.db2.gz CCKMTYSSGYOUKJ-NVXWUHKLSA-N 2 2 338.565 3.189 20 0 EGADLP CCCN(CCC[NH+](C)C)c1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000190398762 265834616 /nfs/dbraw/zinc/83/46/16/265834616.db2.gz DIDCVHYOKZITGJ-UHFFFAOYSA-N 2 2 327.476 3.269 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H](C)Cc1ccc(Br)cc1)C1CC1 ZINC000233438382 266207832 /nfs/dbraw/zinc/20/78/32/266207832.db2.gz OZSSAKAXBGBXSA-ZDUSSCGKSA-N 2 2 325.294 3.454 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H](C)Cc1ccc(Br)cc1)C1CC1 ZINC000233438382 266207833 /nfs/dbraw/zinc/20/78/33/266207833.db2.gz OZSSAKAXBGBXSA-ZDUSSCGKSA-N 2 2 325.294 3.454 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCC([NH3+])CC2)C(C)C)cc1 ZINC000236602375 266208030 /nfs/dbraw/zinc/20/80/30/266208030.db2.gz PALRLKYVQZNFLF-HXUWFJFHSA-N 2 2 331.504 3.046 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000269393194 266286396 /nfs/dbraw/zinc/28/63/96/266286396.db2.gz DKSAYJBXGUQOHU-AWEZNQCLSA-N 2 2 331.485 3.135 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)n1-c1ccccc1 ZINC000269826326 266364566 /nfs/dbraw/zinc/36/45/66/266364566.db2.gz QVRSXFARGGADDK-NRFANRHFSA-N 2 2 333.435 3.104 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c3c2CCC3)cc1 ZINC000269966954 266391307 /nfs/dbraw/zinc/39/13/07/266391307.db2.gz NKMWRJHTFJDUNC-WMZOPIPTSA-N 2 2 336.483 3.077 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c3c2CCC3)cc1 ZINC000269966954 266391309 /nfs/dbraw/zinc/39/13/09/266391309.db2.gz NKMWRJHTFJDUNC-WMZOPIPTSA-N 2 2 336.483 3.077 20 0 EGADLP CCc1ccc(-c2noc([C@H](C)[NH2+]CCCn3cc[nH+]c3)n2)cc1 ZINC000273276841 267011753 /nfs/dbraw/zinc/01/17/53/267011753.db2.gz FZRLDOZYRZCFAZ-AWEZNQCLSA-N 2 2 325.416 3.236 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000273881376 267132643 /nfs/dbraw/zinc/13/26/43/267132643.db2.gz RFJWVEJRRJQPAD-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000273881376 267132644 /nfs/dbraw/zinc/13/26/44/267132644.db2.gz RFJWVEJRRJQPAD-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000274432046 267236003 /nfs/dbraw/zinc/23/60/03/267236003.db2.gz KAWRWSQOEVKBPC-BHIYHBOVSA-N 2 2 328.456 3.346 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000274432046 267236006 /nfs/dbraw/zinc/23/60/06/267236006.db2.gz KAWRWSQOEVKBPC-BHIYHBOVSA-N 2 2 328.456 3.346 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cn1 ZINC000274747360 267281029 /nfs/dbraw/zinc/28/10/29/267281029.db2.gz GUNPEKVHWZLTJB-XJKSGUPXSA-N 2 2 345.878 3.443 20 0 EGADLP CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000274905891 267304786 /nfs/dbraw/zinc/30/47/86/267304786.db2.gz MEJKDMOYJAUTKN-HNNXBMFYSA-N 2 2 346.500 3.266 20 0 EGADLP CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000274905891 267304787 /nfs/dbraw/zinc/30/47/87/267304787.db2.gz MEJKDMOYJAUTKN-HNNXBMFYSA-N 2 2 346.500 3.266 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)no2)c(F)c1 ZINC000275443033 267362955 /nfs/dbraw/zinc/36/29/55/267362955.db2.gz JWDMUEDQIZIYEM-NSHDSACASA-N 2 2 345.353 3.118 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)no2)c(F)c1 ZINC000275443033 267362958 /nfs/dbraw/zinc/36/29/58/267362958.db2.gz JWDMUEDQIZIYEM-NSHDSACASA-N 2 2 345.353 3.118 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278527553 268032608 /nfs/dbraw/zinc/03/26/08/268032608.db2.gz SZKGCAVTDPLNTN-WBVHZDCISA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278527553 268032609 /nfs/dbraw/zinc/03/26/09/268032609.db2.gz SZKGCAVTDPLNTN-WBVHZDCISA-N 2 2 345.487 3.019 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCN([C@H](C)c3ccccc3)C1)CCC2 ZINC000344511997 274824454 /nfs/dbraw/zinc/82/44/54/274824454.db2.gz JRZDUPIRFMTIKQ-YZGWKJHDSA-N 2 2 338.499 3.494 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000184285680 275211577 /nfs/dbraw/zinc/21/15/77/275211577.db2.gz KEGPEFHRGUHVMZ-KRWDZBQOSA-N 2 2 325.456 3.073 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc12 ZINC000185687911 275216005 /nfs/dbraw/zinc/21/60/05/275216005.db2.gz WNJGWFIFOCKMFK-BEFAXECRSA-N 2 2 337.471 3.058 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cs1 ZINC000269385969 275236090 /nfs/dbraw/zinc/23/60/90/275236090.db2.gz BBRYVLOUVLVKJK-CQSZACIVSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1ccc(-c2ncc(C[N@@H+](CCO)C3CC[NH+](C)CC3)s2)cc1 ZINC000269386176 275236110 /nfs/dbraw/zinc/23/61/10/275236110.db2.gz ZQLLBIJQXOWTIP-UHFFFAOYSA-N 2 2 345.512 3.007 20 0 EGADLP Cc1ccc(-c2ncc(C[N@H+](CCO)C3CC[NH+](C)CC3)s2)cc1 ZINC000269386176 275236111 /nfs/dbraw/zinc/23/61/11/275236111.db2.gz ZQLLBIJQXOWTIP-UHFFFAOYSA-N 2 2 345.512 3.007 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cn1 ZINC000281352938 275542628 /nfs/dbraw/zinc/54/26/28/275542628.db2.gz VNGVBFYVFVFVBJ-IBGZPJMESA-N 2 2 337.402 3.351 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000281455767 275550999 /nfs/dbraw/zinc/55/09/99/275550999.db2.gz DMMWZWQXYIRSNS-AOIWGVFYSA-N 2 2 333.545 3.443 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000281901320 275586910 /nfs/dbraw/zinc/58/69/10/275586910.db2.gz AJBUCBOZOXNJEV-FQEVSTJZSA-N 2 2 339.483 3.054 20 0 EGADLP FC1(F)CCC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000282309803 275621039 /nfs/dbraw/zinc/62/10/39/275621039.db2.gz MSMWCNKQPWXQOE-LBPRGKRZSA-N 2 2 344.369 3.448 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CCO1 ZINC000285336243 275865974 /nfs/dbraw/zinc/86/59/74/275865974.db2.gz UNFLTXZBPBOTCH-LJHODMEESA-N 2 2 327.428 3.013 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287475464 276123004 /nfs/dbraw/zinc/12/30/04/276123004.db2.gz JTAPJOWJRCFQDF-MRXNPFEDSA-N 2 2 330.407 3.262 20 0 EGADLP COc1ccncc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000287756814 276154463 /nfs/dbraw/zinc/15/44/63/276154463.db2.gz LZVHWCZCFVMDGF-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccncc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000287756814 276154464 /nfs/dbraw/zinc/15/44/64/276154464.db2.gz LZVHWCZCFVMDGF-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287756814 276154465 /nfs/dbraw/zinc/15/44/65/276154465.db2.gz LZVHWCZCFVMDGF-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287756814 276154466 /nfs/dbraw/zinc/15/44/66/276154466.db2.gz LZVHWCZCFVMDGF-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP FC(F)(F)[C@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000287792501 276157621 /nfs/dbraw/zinc/15/76/21/276157621.db2.gz SWGUXHKCKLHHHC-SMDDNHRTSA-N 2 2 327.350 3.195 20 0 EGADLP CCCCC[C@@H](CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378443232 276228551 /nfs/dbraw/zinc/22/85/51/276228551.db2.gz ROJJNJSVGFYIGT-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@@H](CC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378443232 276228553 /nfs/dbraw/zinc/22/85/53/276228553.db2.gz ROJJNJSVGFYIGT-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253234 /nfs/dbraw/zinc/25/32/34/276253234.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253236 /nfs/dbraw/zinc/25/32/36/276253236.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253237 /nfs/dbraw/zinc/25/32/37/276253237.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000343468116 276253239 /nfs/dbraw/zinc/25/32/39/276253239.db2.gz HDHXPQRDRFHNDK-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289061035 276285736 /nfs/dbraw/zinc/28/57/36/276285736.db2.gz BYTBXFIHDZIRMY-OAQYLSRUSA-N 3 2 337.511 3.477 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289061035 276285737 /nfs/dbraw/zinc/28/57/37/276285737.db2.gz BYTBXFIHDZIRMY-OAQYLSRUSA-N 3 2 337.511 3.477 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000289350438 276326130 /nfs/dbraw/zinc/32/61/30/276326130.db2.gz XYIVHMOVAKBDRU-IAGOWNOFSA-N 2 2 345.487 3.112 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000289350438 276326132 /nfs/dbraw/zinc/32/61/32/276326132.db2.gz XYIVHMOVAKBDRU-IAGOWNOFSA-N 2 2 345.487 3.112 20 0 EGADLP COc1cccc(N2CC[C@@H]([NH2+]CCCc3c[nH+]ccc3C)C2)c1 ZINC000289353029 276326499 /nfs/dbraw/zinc/32/64/99/276326499.db2.gz XSIKCAIVGAQZDV-GOSISDBHSA-N 2 2 325.456 3.200 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1SC ZINC000289521597 276352297 /nfs/dbraw/zinc/35/22/97/276352297.db2.gz VJPUSKXXPJYKRW-UHFFFAOYSA-N 2 2 326.506 3.199 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1SC ZINC000289521597 276352299 /nfs/dbraw/zinc/35/22/99/276352299.db2.gz VJPUSKXXPJYKRW-UHFFFAOYSA-N 2 2 326.506 3.199 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(C)OCCc4sccc43)n2c1 ZINC000289760669 276389592 /nfs/dbraw/zinc/38/95/92/276389592.db2.gz IXKVSZMIVQBVSV-SFHVURJKSA-N 2 2 327.453 3.282 20 0 EGADLP COc1ccncc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000292723576 276862989 /nfs/dbraw/zinc/86/29/89/276862989.db2.gz PMDOCRLNLRKCKO-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP COC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000353392456 277596698 /nfs/dbraw/zinc/59/66/98/277596698.db2.gz ZNXVZTDOWGUGGT-MPGHIAIKSA-N 2 2 340.895 3.116 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000076898404 278172710 /nfs/dbraw/zinc/17/27/10/278172710.db2.gz FGJOGFAJAHUFQR-GFCCVEGCSA-N 2 2 334.357 3.045 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000261999440 278182403 /nfs/dbraw/zinc/18/24/03/278182403.db2.gz TYZQFVQPCWEOBE-MRVPVSSYSA-N 2 2 325.172 3.247 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000261999440 278182404 /nfs/dbraw/zinc/18/24/04/278182404.db2.gz TYZQFVQPCWEOBE-MRVPVSSYSA-N 2 2 325.172 3.247 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000375506913 280623116 /nfs/dbraw/zinc/62/31/16/280623116.db2.gz SMTMSZFLLOEXTQ-JNAXZKDPSA-N 2 2 340.471 3.214 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000332989390 288739309 /nfs/dbraw/zinc/73/93/09/288739309.db2.gz CLBPMDPHGUKKNU-IAGOWNOFSA-N 2 2 347.507 3.014 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000356562458 289271787 /nfs/dbraw/zinc/27/17/87/289271787.db2.gz KSNUZCWLMUFZSN-ZWKOTPCHSA-N 2 2 349.906 3.030 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000366084745 289364861 /nfs/dbraw/zinc/36/48/61/289364861.db2.gz IOCMDEYEJAOQDG-QWFCFKBJSA-N 2 2 326.488 3.339 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ncc(Br)cc1F ZINC000368752336 290019372 /nfs/dbraw/zinc/01/93/72/290019372.db2.gz BKQUIPMESYBPKD-UHTWSYAYSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ncc(Br)cc1F ZINC000368752336 290019377 /nfs/dbraw/zinc/01/93/77/290019377.db2.gz BKQUIPMESYBPKD-UHTWSYAYSA-N 2 2 342.256 3.261 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1 ZINC000310592962 303376211 /nfs/dbraw/zinc/37/62/11/303376211.db2.gz ZNNMGFNGWAIGKO-UXHICEINSA-N 2 2 343.515 3.019 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1 ZINC000310592962 303376212 /nfs/dbraw/zinc/37/62/12/303376212.db2.gz ZNNMGFNGWAIGKO-UXHICEINSA-N 2 2 343.515 3.019 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000414087066 309060248 /nfs/dbraw/zinc/06/02/48/309060248.db2.gz ZYEOLUZYWAKZBX-LPHOPBHVSA-N 2 2 327.472 3.222 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414854605 309105833 /nfs/dbraw/zinc/10/58/33/309105833.db2.gz ZOYDMDQALCLAMP-LJQANCHMSA-N 2 2 326.440 3.386 20 0 EGADLP C[NH+](C)CCCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000132549860 307659631 /nfs/dbraw/zinc/65/96/31/307659631.db2.gz MWVXMQVUAIXCBQ-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414141628 309063231 /nfs/dbraw/zinc/06/32/31/309063231.db2.gz RGPJBMRBKMJDNC-ABSDTBQOSA-N 2 2 339.483 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414141628 309063232 /nfs/dbraw/zinc/06/32/32/309063232.db2.gz RGPJBMRBKMJDNC-ABSDTBQOSA-N 2 2 339.483 3.131 20 0 EGADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1OC(F)F ZINC000414271358 309069795 /nfs/dbraw/zinc/06/97/95/309069795.db2.gz MQLNOXSTBUFSFM-AWEZNQCLSA-N 2 2 338.402 3.328 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000414366989 309075548 /nfs/dbraw/zinc/07/55/48/309075548.db2.gz DCKNKYRZAYHEPW-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000414366989 309075549 /nfs/dbraw/zinc/07/55/49/309075549.db2.gz DCKNKYRZAYHEPW-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000414366989 309075550 /nfs/dbraw/zinc/07/55/50/309075550.db2.gz DCKNKYRZAYHEPW-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000414366989 309075551 /nfs/dbraw/zinc/07/55/51/309075551.db2.gz DCKNKYRZAYHEPW-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000248431343 308003147 /nfs/dbraw/zinc/00/31/47/308003147.db2.gz XBSOCUFGTYRILH-DYESRHJHSA-N 2 2 348.494 3.226 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000248431343 308003148 /nfs/dbraw/zinc/00/31/48/308003148.db2.gz XBSOCUFGTYRILH-DYESRHJHSA-N 2 2 348.494 3.226 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000414410560 309078373 /nfs/dbraw/zinc/07/83/73/309078373.db2.gz OGGLCXWQXMOVKM-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000414410560 309078374 /nfs/dbraw/zinc/07/83/74/309078374.db2.gz OGGLCXWQXMOVKM-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000414410560 309078375 /nfs/dbraw/zinc/07/83/75/309078375.db2.gz OGGLCXWQXMOVKM-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000414410560 309078376 /nfs/dbraw/zinc/07/83/76/309078376.db2.gz OGGLCXWQXMOVKM-UZLBHIALSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000414410552 309078449 /nfs/dbraw/zinc/07/84/49/309078449.db2.gz OGGLCXWQXMOVKM-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000414410552 309078450 /nfs/dbraw/zinc/07/84/50/309078450.db2.gz OGGLCXWQXMOVKM-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000414410552 309078451 /nfs/dbraw/zinc/07/84/51/309078451.db2.gz OGGLCXWQXMOVKM-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000414410552 309078452 /nfs/dbraw/zinc/07/84/52/309078452.db2.gz OGGLCXWQXMOVKM-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000249192118 308020848 /nfs/dbraw/zinc/02/08/48/308020848.db2.gz OMTAKDFZYHNLFL-ZHALLVOQSA-N 2 2 326.488 3.457 20 0 EGADLP CSc1ccc([C@@H](CNCc2c[nH+]ccc2N(C)C)[NH+](C)C)cc1 ZINC000293244864 308113006 /nfs/dbraw/zinc/11/30/06/308113006.db2.gz BFDGXRSQBHNQLQ-LJQANCHMSA-N 2 2 344.528 3.262 20 0 EGADLP Oc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000293436851 308130726 /nfs/dbraw/zinc/13/07/26/308130726.db2.gz BPMFJGWDEPJWRS-UHFFFAOYSA-N 2 2 331.847 3.195 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293743509 308157709 /nfs/dbraw/zinc/15/77/09/308157709.db2.gz WCNRNVACMJKLDG-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293743509 308157711 /nfs/dbraw/zinc/15/77/11/308157711.db2.gz WCNRNVACMJKLDG-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293743509 308157713 /nfs/dbraw/zinc/15/77/13/308157713.db2.gz WCNRNVACMJKLDG-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293743509 308157715 /nfs/dbraw/zinc/15/77/15/308157715.db2.gz WCNRNVACMJKLDG-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP Cc1cccnc1CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000294692904 308246406 /nfs/dbraw/zinc/24/64/06/308246406.db2.gz AUAKZTSJVNPKLZ-UHFFFAOYSA-N 2 2 329.410 3.329 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccn1 ZINC000294875389 308266717 /nfs/dbraw/zinc/26/67/17/308266717.db2.gz VCPKRQMOZIUMOJ-UHFFFAOYSA-N 2 2 329.410 3.366 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)n2c1 ZINC000295091321 308290222 /nfs/dbraw/zinc/29/02/22/308290222.db2.gz JIDMJYPCTDJYLI-HNNXBMFYSA-N 2 2 346.475 3.426 20 0 EGADLP c1c(C[N@@H+]2CCC[NH2+]CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414648364 309093491 /nfs/dbraw/zinc/09/34/91/309093491.db2.gz BAOTUYLOGVGTAB-UHFFFAOYSA-N 2 2 346.478 3.394 20 0 EGADLP c1c(C[N@H+]2CCC[NH2+]CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414648364 309093492 /nfs/dbraw/zinc/09/34/92/309093492.db2.gz BAOTUYLOGVGTAB-UHFFFAOYSA-N 2 2 346.478 3.394 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000297369355 308527296 /nfs/dbraw/zinc/52/72/96/308527296.db2.gz GJGXDSMDPLWLNP-DYESRHJHSA-N 3 2 338.499 3.331 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414794060 309101751 /nfs/dbraw/zinc/10/17/51/309101751.db2.gz LDMSSEZFBQNURL-NSHDSACASA-N 2 2 337.208 3.123 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414815997 309103291 /nfs/dbraw/zinc/10/32/91/309103291.db2.gz VZDJOYBQCWVGLI-UHFFFAOYSA-N 2 2 341.503 3.286 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000302882367 308749352 /nfs/dbraw/zinc/74/93/52/308749352.db2.gz ITLGPFZWCOISKU-GFCCVEGCSA-N 2 2 331.851 3.350 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1c(F)cccc1F ZINC000302918141 308750896 /nfs/dbraw/zinc/75/08/96/308750896.db2.gz XMBPANKRVLGKIG-HNNXBMFYSA-N 2 2 347.413 3.070 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(C(C)C)CC3)c2cc1C ZINC000409449160 308909030 /nfs/dbraw/zinc/90/90/30/308909030.db2.gz WZTXEJSWWMYUKE-SFHVURJKSA-N 2 2 329.488 3.382 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414850071 309105536 /nfs/dbraw/zinc/10/55/36/309105536.db2.gz SARIAZIOQOWUJN-DNVCBOLYSA-N 2 2 327.472 3.434 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414863674 309106101 /nfs/dbraw/zinc/10/61/01/309106101.db2.gz BARKIACSVXFWPH-SFHVURJKSA-N 2 2 326.440 3.116 20 0 EGADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414865595 309106327 /nfs/dbraw/zinc/10/63/27/309106327.db2.gz DJZBDWKGXQZYLD-GOSISDBHSA-N 2 2 336.414 3.130 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414872746 309106534 /nfs/dbraw/zinc/10/65/34/309106534.db2.gz QACPERSVKSFOBG-UHFFFAOYSA-N 2 2 349.482 3.083 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]CCCc2ccc(C)nc2)cc1 ZINC000414881134 309106988 /nfs/dbraw/zinc/10/69/88/309106988.db2.gz KREYOSKPVDHEKJ-RTWAWAEBSA-N 2 2 339.483 3.067 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000414881134 309106989 /nfs/dbraw/zinc/10/69/89/309106989.db2.gz KREYOSKPVDHEKJ-RTWAWAEBSA-N 3 2 339.483 3.067 20 0 EGADLP CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1 ZINC000414884418 309107148 /nfs/dbraw/zinc/10/71/48/309107148.db2.gz OANCWFAYALGXSF-SFTDATJTSA-N 2 2 340.467 3.329 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)CC[NH3+])cc3)[nH+]c12 ZINC000414901356 309108290 /nfs/dbraw/zinc/10/82/90/309108290.db2.gz WXTUHHLXHFIIIA-MRXNPFEDSA-N 3 2 338.455 3.049 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OC(F)F ZINC000414920839 309109383 /nfs/dbraw/zinc/10/93/83/309109383.db2.gz AECHEFUOGFNZEU-HNNXBMFYSA-N 2 2 328.403 3.164 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000414956038 309111314 /nfs/dbraw/zinc/11/13/14/309111314.db2.gz MUVMSQLYLLQJHU-PXNSSMCTSA-N 2 2 345.437 3.336 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c[nH+]1 ZINC000414956038 309111315 /nfs/dbraw/zinc/11/13/15/309111315.db2.gz MUVMSQLYLLQJHU-PXNSSMCTSA-N 3 2 345.437 3.336 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000414957813 309111562 /nfs/dbraw/zinc/11/15/62/309111562.db2.gz OTNXTOYKHILYND-LPHOPBHVSA-N 2 2 348.441 3.053 20 0 EGADLP Cn1cc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c(-c2ccccc2)n1 ZINC000414963765 309111793 /nfs/dbraw/zinc/11/17/93/309111793.db2.gz XNMGCRQCJBDQRG-HXUWFJFHSA-N 2 2 332.451 3.064 20 0 EGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415051068 309116579 /nfs/dbraw/zinc/11/65/79/309116579.db2.gz ZKUPNYPGVMEHJZ-IBGZPJMESA-N 2 2 340.467 3.139 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc(Cl)c1OC ZINC000415058383 309117261 /nfs/dbraw/zinc/11/72/61/309117261.db2.gz VQVFRPGJQMJXNR-DOTOQJQBSA-N 2 2 346.858 3.202 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000415063919 309117643 /nfs/dbraw/zinc/11/76/43/309117643.db2.gz JCZPPNHEDZAFCA-KRWDZBQOSA-N 2 2 344.455 3.064 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])CNCc1[nH+]ccn1Cc1ccccc1 ZINC000415063289 309117729 /nfs/dbraw/zinc/11/77/29/309117729.db2.gz HPYVXLCOLNMLRS-HXUWFJFHSA-N 2 2 334.467 3.283 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OCCOC)cc1 ZINC000415070033 309118190 /nfs/dbraw/zinc/11/81/90/309118190.db2.gz UFRWMBJTHJHFAV-HXUWFJFHSA-N 2 2 328.456 3.064 20 0 EGADLP Clc1ccc(C[NH+]2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000415075598 309118589 /nfs/dbraw/zinc/11/85/89/309118589.db2.gz BTLLQYUSANHZSV-HNNXBMFYSA-N 2 2 342.314 3.299 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415085194 309119151 /nfs/dbraw/zinc/11/91/51/309119151.db2.gz QMJVNINRPUGSDN-RZXSNQJFSA-N 3 2 342.531 3.117 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C(=O)N1c1ccccc1 ZINC000415100770 309120369 /nfs/dbraw/zinc/12/03/69/309120369.db2.gz HZVPMBBCUMOXRV-PLWAMTLXSA-N 2 2 349.478 3.263 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137522 309123148 /nfs/dbraw/zinc/12/31/48/309123148.db2.gz UFSKYDDLJJMCEO-WOJBJXKFSA-N 3 2 327.516 3.148 20 0 EGADLP CC(C)C[C@H](C[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415190296 309125595 /nfs/dbraw/zinc/12/55/95/309125595.db2.gz TXPYGBHPIZTJAT-OAHLLOKOSA-N 2 2 328.416 3.369 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@@H]1[NH3+] ZINC000415191449 309125700 /nfs/dbraw/zinc/12/57/00/309125700.db2.gz VKPDQBCEFHKEQM-DYVFJYSZSA-N 2 2 326.400 3.075 20 0 EGADLP CC1(C)CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000415193952 309125821 /nfs/dbraw/zinc/12/58/21/309125821.db2.gz YZTZOZXMWWMLOL-UHFFFAOYSA-N 2 2 326.400 3.090 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H](C)[NH2+]CC)c1 ZINC000415299472 309130387 /nfs/dbraw/zinc/13/03/87/309130387.db2.gz YZUONSOXIGWDGS-OAHLLOKOSA-N 2 2 343.475 3.470 20 0 EGADLP CCn1c[nH+]cc1CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417827190 309224170 /nfs/dbraw/zinc/22/41/70/309224170.db2.gz PGKDPWYNBDHQRX-IYBDPMFKSA-N 2 2 328.460 3.124 20 0 EGADLP CCn1c[nH+]cc1CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417827190 309224171 /nfs/dbraw/zinc/22/41/71/309224171.db2.gz PGKDPWYNBDHQRX-IYBDPMFKSA-N 2 2 328.460 3.124 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419291121 309263371 /nfs/dbraw/zinc/26/33/71/309263371.db2.gz KTLDPRKQNKHQHY-INIZCTEOSA-N 2 2 329.488 3.237 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419294502 309263649 /nfs/dbraw/zinc/26/36/49/309263649.db2.gz OZRONMAMDMTBLY-OAHLLOKOSA-N 2 2 329.488 3.183 20 0 EGADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000419299312 309263718 /nfs/dbraw/zinc/26/37/18/309263718.db2.gz YIOBVEPTDIKFGL-SFHVURJKSA-N 2 2 347.890 3.052 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000420267601 309278602 /nfs/dbraw/zinc/27/86/02/309278602.db2.gz DAZDJLQDJFMCNU-LJQANCHMSA-N 2 2 347.466 3.252 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000420267915 309278786 /nfs/dbraw/zinc/27/87/86/309278786.db2.gz DIANIVDKQKLBRN-QGZVFWFLSA-N 2 2 325.460 3.141 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000420267884 309278828 /nfs/dbraw/zinc/27/88/28/309278828.db2.gz DIANIVDKQKLBRN-KRWDZBQOSA-N 2 2 325.460 3.141 20 0 EGADLP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000420289692 309279461 /nfs/dbraw/zinc/27/94/61/309279461.db2.gz KUWWEKUWYFGBPD-NIKGAXFTSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000420289692 309279462 /nfs/dbraw/zinc/27/94/62/309279462.db2.gz KUWWEKUWYFGBPD-NIKGAXFTSA-N 2 2 341.430 3.175 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000420290033 309279525 /nfs/dbraw/zinc/27/95/25/309279525.db2.gz UCYCJJSWXMFNTQ-RISCZKNCSA-N 2 2 334.261 3.349 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@H]1[NH3+] ZINC000420298300 309280188 /nfs/dbraw/zinc/28/01/88/309280188.db2.gz ZVJJUUKEMYZDCQ-QFBILLFUSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@H]1[NH3+] ZINC000420298300 309280189 /nfs/dbraw/zinc/28/01/89/309280189.db2.gz ZVJJUUKEMYZDCQ-QFBILLFUSA-N 2 2 349.478 3.119 20 0 EGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341789 309283343 /nfs/dbraw/zinc/28/33/43/309283343.db2.gz VWRCOHGPGKUXMI-IAGOWNOFSA-N 2 2 336.863 3.018 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420355729 309283766 /nfs/dbraw/zinc/28/37/66/309283766.db2.gz FRFHASWTUWXUEN-XHDPSFHLSA-N 2 2 345.270 3.139 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420355729 309283767 /nfs/dbraw/zinc/28/37/67/309283767.db2.gz FRFHASWTUWXUEN-XHDPSFHLSA-N 2 2 345.270 3.139 20 0 EGADLP Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)C2CC2)cc1 ZINC000420359655 309284017 /nfs/dbraw/zinc/28/40/17/309284017.db2.gz GHZIBZVUJGVPRO-PZJWPPBQSA-N 2 2 343.515 3.060 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000420361213 309284171 /nfs/dbraw/zinc/28/41/71/309284171.db2.gz LWGPUVJRSAXRQX-IBGZPJMESA-N 2 2 343.515 3.330 20 0 EGADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420365130 309284294 /nfs/dbraw/zinc/28/42/94/309284294.db2.gz RVBFNHXHNPFNMX-LJQANCHMSA-N 2 2 345.531 3.311 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccccc2Cl)CC2CC2)n1 ZINC000420367115 309284538 /nfs/dbraw/zinc/28/45/38/309284538.db2.gz GTTANDMSJOOPAL-UHFFFAOYSA-N 2 2 334.851 3.329 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccccc2Cl)CC2CC2)n1 ZINC000420367115 309284539 /nfs/dbraw/zinc/28/45/39/309284539.db2.gz GTTANDMSJOOPAL-UHFFFAOYSA-N 2 2 334.851 3.329 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420370961 309284802 /nfs/dbraw/zinc/28/48/02/309284802.db2.gz WJZMKAUBOBBODO-YGRLFVJLSA-N 2 2 346.302 3.134 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420382833 309285643 /nfs/dbraw/zinc/28/56/43/309285643.db2.gz DHMUURMBQRMDKZ-VQIMIIECSA-N 2 2 343.515 3.387 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420382833 309285644 /nfs/dbraw/zinc/28/56/44/309285644.db2.gz DHMUURMBQRMDKZ-VQIMIIECSA-N 2 2 343.515 3.387 20 0 EGADLP COc1ccccc1CCC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420395869 309286285 /nfs/dbraw/zinc/28/62/85/309286285.db2.gz USARYYUVUSXTSU-RBUKOAKNSA-N 2 2 328.431 3.194 20 0 EGADLP COc1ccccc1CCC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420395869 309286286 /nfs/dbraw/zinc/28/62/86/309286286.db2.gz USARYYUVUSXTSU-RBUKOAKNSA-N 2 2 328.431 3.194 20 0 EGADLP [NH3+]Cc1nc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)no1 ZINC000420395519 309286336 /nfs/dbraw/zinc/28/63/36/309286336.db2.gz DMJBRDKLRRCGBO-GHTZIAJQSA-N 2 2 348.450 3.479 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)[nH+]1 ZINC000420781172 309294354 /nfs/dbraw/zinc/29/43/54/309294354.db2.gz OVYWBXNVQFXJFY-HZPDHXFCSA-N 2 2 346.519 3.256 20 0 EGADLP c1coc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420912297 309300528 /nfs/dbraw/zinc/30/05/28/309300528.db2.gz HFYMCOFXXDARMV-LJQANCHMSA-N 2 2 326.440 3.449 20 0 EGADLP c1coc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420912297 309300529 /nfs/dbraw/zinc/30/05/29/309300529.db2.gz HFYMCOFXXDARMV-LJQANCHMSA-N 2 2 326.440 3.449 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc(C)[nH+]1 ZINC000420916981 309300919 /nfs/dbraw/zinc/30/09/19/309300919.db2.gz NEBSTZAJFSXPMY-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP c1cncc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420933344 309302124 /nfs/dbraw/zinc/30/21/24/309302124.db2.gz ICGZBYOYQVRLTI-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc(C[NH+]2CCOCC2)c1 ZINC000420950419 309303578 /nfs/dbraw/zinc/30/35/78/309303578.db2.gz RBUWYVZHMVCDSM-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP c1cc(C[N@H+]2CCC[C@H]2c2ccncc2)cc(C[NH+]2CCOCC2)c1 ZINC000420950419 309303579 /nfs/dbraw/zinc/30/35/79/309303579.db2.gz RBUWYVZHMVCDSM-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957628 309304412 /nfs/dbraw/zinc/30/44/12/309304412.db2.gz DBCNRLCXVGIVCB-YOEHRIQHSA-N 2 2 342.405 3.292 20 0 EGADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957628 309304413 /nfs/dbraw/zinc/30/44/13/309304413.db2.gz DBCNRLCXVGIVCB-YOEHRIQHSA-N 2 2 342.405 3.292 20 0 EGADLP c1cc2c(o1)CCC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420968572 309305026 /nfs/dbraw/zinc/30/50/26/309305026.db2.gz WSNJLHWAKFWBIC-UHFFFAOYSA-N 2 2 326.440 3.060 20 0 EGADLP c1cc2c(o1)CCC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420968572 309305027 /nfs/dbraw/zinc/30/50/27/309305027.db2.gz WSNJLHWAKFWBIC-UHFFFAOYSA-N 2 2 326.440 3.060 20 0 EGADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000421706098 309335800 /nfs/dbraw/zinc/33/58/00/309335800.db2.gz UDDUPHCXIFVOPB-INIZCTEOSA-N 2 2 325.412 3.040 20 0 EGADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000421706098 309335801 /nfs/dbraw/zinc/33/58/01/309335801.db2.gz UDDUPHCXIFVOPB-INIZCTEOSA-N 2 2 325.412 3.040 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cccnc3CC2)Cc2ccccc2C1 ZINC000421828050 309342016 /nfs/dbraw/zinc/34/20/16/309342016.db2.gz ATTIBLNZLYMROO-FQEVSTJZSA-N 2 2 335.495 3.018 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421843586 309342905 /nfs/dbraw/zinc/34/29/05/309342905.db2.gz MZKSXZATORMIAJ-KGLIPLIRSA-N 2 2 328.859 3.111 20 0 EGADLP CCC[C@@](C)(CC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023523 309351595 /nfs/dbraw/zinc/35/15/95/309351595.db2.gz PPYITMPMSGMFHH-HXUWFJFHSA-N 2 2 337.552 3.221 20 0 EGADLP CCC[C@@](C)(CC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023523 309351596 /nfs/dbraw/zinc/35/15/96/309351596.db2.gz PPYITMPMSGMFHH-HXUWFJFHSA-N 2 2 337.552 3.221 20 0 EGADLP Cc1cc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000422184366 309357011 /nfs/dbraw/zinc/35/70/11/309357011.db2.gz ARSFPZHPPQVEPF-LPHOPBHVSA-N 2 2 340.471 3.189 20 0 EGADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cn1 ZINC000422695588 309363471 /nfs/dbraw/zinc/36/34/71/309363471.db2.gz QBAWIRYNQXYVQE-CVEARBPZSA-N 2 2 327.428 3.242 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730955 309365627 /nfs/dbraw/zinc/36/56/27/309365627.db2.gz MWLUOGZXTRXFLS-SJORKVTESA-N 2 2 342.314 3.427 20 0 EGADLP Cc1ccc(C[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccn2)cc1 ZINC000422749485 309366472 /nfs/dbraw/zinc/36/64/72/309366472.db2.gz ZJNGNRZRSKXVIO-QFUCXCTJSA-N 2 2 339.483 3.030 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000422774014 309367762 /nfs/dbraw/zinc/36/77/62/309367762.db2.gz ZSWFRQQGBAYAJX-GGPKGHCWSA-N 3 2 345.531 3.007 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422839162 309371338 /nfs/dbraw/zinc/37/13/38/309371338.db2.gz PQNSXYDPEKCTNZ-IAGOWNOFSA-N 2 2 342.439 3.337 20 0 EGADLP Cc1sc(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000422932093 309376775 /nfs/dbraw/zinc/37/67/75/309376775.db2.gz YTIKFNAZLDAPQY-YOEHRIQHSA-N 2 2 345.512 3.018 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000422958693 309378371 /nfs/dbraw/zinc/37/83/71/309378371.db2.gz YRTHTAOEYSGJMJ-RYUDHWBXSA-N 2 2 329.271 3.339 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000422981897 309379262 /nfs/dbraw/zinc/37/92/62/309379262.db2.gz POZSXIVAOUFDCO-BPQIPLTHSA-N 2 2 330.497 3.389 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423017708 309381156 /nfs/dbraw/zinc/38/11/56/309381156.db2.gz PKLGTCOOBSILDW-OJDYBEQGSA-N 2 2 341.293 3.255 20 0 EGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423107294 309386374 /nfs/dbraw/zinc/38/63/74/309386374.db2.gz KNXUSCUJHFNQMC-LKFCYVNXSA-N 2 2 333.220 3.205 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@H]1CCC[NH2+]1 ZINC000423156907 309388699 /nfs/dbraw/zinc/38/86/99/309388699.db2.gz UNCKMAWODSXVKR-FZQKWOKYSA-N 2 2 327.241 3.306 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196692 309390151 /nfs/dbraw/zinc/39/01/51/309390151.db2.gz VYCVYOOQXUZKHV-GXTWGEPZSA-N 2 2 325.250 3.004 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423218343 309391092 /nfs/dbraw/zinc/39/10/92/309391092.db2.gz RRJHUTHNDIOHFZ-DCAQKATOSA-N 2 2 330.245 3.022 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229413 309391340 /nfs/dbraw/zinc/39/13/40/309391340.db2.gz BGERQRMXHKITKX-JSGCOSHPSA-N 2 2 325.250 3.004 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300611 309394428 /nfs/dbraw/zinc/39/44/28/309394428.db2.gz SAUXCFGSCDGXDK-MXEMCNAFSA-N 3 2 329.532 3.394 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300611 309394429 /nfs/dbraw/zinc/39/44/29/309394429.db2.gz SAUXCFGSCDGXDK-MXEMCNAFSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423329242 309395455 /nfs/dbraw/zinc/39/54/55/309395455.db2.gz OHUQGLJXMZAHFK-VIFPVBQESA-N 2 2 336.329 3.421 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000423340717 309396233 /nfs/dbraw/zinc/39/62/33/309396233.db2.gz SZOZRGFVFSIFIA-MRXNPFEDSA-N 2 2 341.293 3.042 20 0 EGADLP Cc1cncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000423358151 309396701 /nfs/dbraw/zinc/39/67/01/309396701.db2.gz BBTNEGJDAAWEPU-CRFBAAHOSA-N 2 2 331.410 3.465 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000423364738 309397267 /nfs/dbraw/zinc/39/72/67/309397267.db2.gz JWPHOQBXBVGUIB-HGQUKEQDSA-N 2 2 346.425 3.168 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423414034 309399266 /nfs/dbraw/zinc/39/92/66/309399266.db2.gz LZGQMASOZAOZBX-RTWAWAEBSA-N 2 2 340.467 3.143 20 0 EGADLP CSC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423491094 309402569 /nfs/dbraw/zinc/40/25/69/309402569.db2.gz JDJVTKGZRBAJIK-HUUCEWRRSA-N 2 2 348.434 3.078 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423492077 309402771 /nfs/dbraw/zinc/40/27/71/309402771.db2.gz LNFXMIFTFZPMAT-UXHICEINSA-N 2 2 328.431 3.192 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423541362 309405685 /nfs/dbraw/zinc/40/56/85/309405685.db2.gz KQWQNMBTZRELFJ-SZVBFZGTSA-N 3 2 347.934 3.282 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423811390 309414020 /nfs/dbraw/zinc/41/40/20/309414020.db2.gz BOSGPXBSJUPFOZ-QAPCUYQASA-N 2 2 343.496 3.043 20 0 EGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)C[C@H]2C1 ZINC000424270103 309435371 /nfs/dbraw/zinc/43/53/71/309435371.db2.gz QAMWQUOCLDJHMS-AVCFWEGKSA-N 2 2 325.456 3.225 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C(C)C)cc1 ZINC000424333750 309439287 /nfs/dbraw/zinc/43/92/87/309439287.db2.gz MTCVMXLPTQZYOZ-SFHLNBCPSA-N 2 2 345.531 3.483 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000424339465 309439608 /nfs/dbraw/zinc/43/96/08/309439608.db2.gz WDSKPZZQLQZVOL-DGCLKSJQSA-N 2 2 349.784 3.157 20 0 EGADLP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425355937 309475791 /nfs/dbraw/zinc/47/57/91/309475791.db2.gz OWNPKTGWXOSEQJ-BLLLJJGKSA-N 2 2 336.867 3.005 20 0 EGADLP Cc1cc(F)ccc1C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425389634 309477820 /nfs/dbraw/zinc/47/78/20/309477820.db2.gz XRDGIHUIPXTMME-UHFFFAOYSA-N 2 2 330.451 3.313 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427880816 309537474 /nfs/dbraw/zinc/53/74/74/309537474.db2.gz WYJGCFOHYHUHMK-UKRRQHHQSA-N 2 2 332.245 3.238 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000430579757 309611519 /nfs/dbraw/zinc/61/15/19/309611519.db2.gz CWIJLUVYOIWCRL-HXUWFJFHSA-N 2 2 339.439 3.134 20 0 EGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000446752604 309967606 /nfs/dbraw/zinc/96/76/06/309967606.db2.gz HZXHEWQJJLUGKJ-SBHAEUEKSA-N 2 2 348.531 3.317 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329753 310054010 /nfs/dbraw/zinc/05/40/10/310054010.db2.gz JKPHWVOEDWDLKQ-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329753 310054011 /nfs/dbraw/zinc/05/40/11/310054011.db2.gz JKPHWVOEDWDLKQ-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1cccc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)c1 ZINC000449314713 310052769 /nfs/dbraw/zinc/05/27/69/310052769.db2.gz DNTWMUIRLPLAKT-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP Cc1cccc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)c1 ZINC000449314713 310052770 /nfs/dbraw/zinc/05/27/70/310052770.db2.gz DNTWMUIRLPLAKT-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP Cc1cccc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000449314713 310052771 /nfs/dbraw/zinc/05/27/71/310052771.db2.gz DNTWMUIRLPLAKT-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP Cc1cccc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000449314713 310052772 /nfs/dbraw/zinc/05/27/72/310052772.db2.gz DNTWMUIRLPLAKT-PZJWPPBQSA-N 2 2 340.515 3.286 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Br)c1F ZINC000449329753 310054012 /nfs/dbraw/zinc/05/40/12/310054012.db2.gz JKPHWVOEDWDLKQ-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Br)c1F ZINC000449329753 310054013 /nfs/dbraw/zinc/05/40/13/310054013.db2.gz JKPHWVOEDWDLKQ-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C3CC(C)(F)C3)c[nH+]c12 ZINC000449377210 310057503 /nfs/dbraw/zinc/05/75/03/310057503.db2.gz RYLLDRQCXRITAH-UHFFFAOYSA-N 2 2 326.213 3.385 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000449522753 310068898 /nfs/dbraw/zinc/06/88/98/310068898.db2.gz KFRLHYBMUFAADQ-FOIQADDNSA-N 2 2 329.488 3.388 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3occc3C)CC2)cc1 ZINC000449525966 310069197 /nfs/dbraw/zinc/06/91/97/310069197.db2.gz ULMUPFVJWDBBSP-UHFFFAOYSA-N 2 2 341.455 3.301 20 0 EGADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000449714878 310082178 /nfs/dbraw/zinc/08/21/78/310082178.db2.gz AIXWHMMXTKVKGZ-GXTWGEPZSA-N 2 2 345.830 3.385 20 0 EGADLP COC[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000449781487 310086734 /nfs/dbraw/zinc/08/67/34/310086734.db2.gz XHSPABDJHWKXFG-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000449781487 310086735 /nfs/dbraw/zinc/08/67/35/310086735.db2.gz XHSPABDJHWKXFG-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000449781487 310086736 /nfs/dbraw/zinc/08/67/36/310086736.db2.gz XHSPABDJHWKXFG-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000449781487 310086737 /nfs/dbraw/zinc/08/67/37/310086737.db2.gz XHSPABDJHWKXFG-OAHLLOKOSA-N 2 2 337.533 3.158 20 0 EGADLP C[C@H](CNc1cc[nH+]c2cc(F)c(Cl)cc12)N1CC[NH+](C)CC1 ZINC000450307047 310114409 /nfs/dbraw/zinc/11/44/09/310114409.db2.gz WLAUQTIWYGLFQS-GFCCVEGCSA-N 2 2 336.842 3.075 20 0 EGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000450486251 310125485 /nfs/dbraw/zinc/12/54/85/310125485.db2.gz PNAYZUWUPCDNCP-UHFFFAOYSA-N 2 2 347.344 3.303 20 0 EGADLP Nc1ncccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495996 310126303 /nfs/dbraw/zinc/12/63/03/310126303.db2.gz AJDMSUMAHIFVJT-ICSRJNTNSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495996 310126304 /nfs/dbraw/zinc/12/63/04/310126304.db2.gz AJDMSUMAHIFVJT-ICSRJNTNSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450495996 310126305 /nfs/dbraw/zinc/12/63/05/310126305.db2.gz AJDMSUMAHIFVJT-ICSRJNTNSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450495996 310126306 /nfs/dbraw/zinc/12/63/06/310126306.db2.gz AJDMSUMAHIFVJT-ICSRJNTNSA-N 2 2 336.483 3.150 20 0 EGADLP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000450603077 310132568 /nfs/dbraw/zinc/13/25/68/310132568.db2.gz SJDGHWPHYTYBFT-YXJHDRRASA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000450603077 310132569 /nfs/dbraw/zinc/13/25/69/310132569.db2.gz SJDGHWPHYTYBFT-YXJHDRRASA-N 2 2 338.879 3.032 20 0 EGADLP CCO[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522189 310182688 /nfs/dbraw/zinc/18/26/88/310182688.db2.gz ASRVWRUATLVTCD-HLAWJBBLSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522189 310182689 /nfs/dbraw/zinc/18/26/89/310182689.db2.gz ASRVWRUATLVTCD-HLAWJBBLSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522189 310182690 /nfs/dbraw/zinc/18/26/90/310182690.db2.gz ASRVWRUATLVTCD-HLAWJBBLSA-N 2 2 346.515 3.024 20 0 EGADLP CCO[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000451522189 310182691 /nfs/dbraw/zinc/18/26/91/310182691.db2.gz ASRVWRUATLVTCD-HLAWJBBLSA-N 2 2 346.515 3.024 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000453196672 310263601 /nfs/dbraw/zinc/26/36/01/310263601.db2.gz DXKMMFGQMSSQDV-RYQLBKOJSA-N 2 2 345.874 3.231 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245273 310266490 /nfs/dbraw/zinc/26/64/90/310266490.db2.gz BMKIMOJKDUMTSF-CZUORRHYSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245273 310266491 /nfs/dbraw/zinc/26/64/91/310266491.db2.gz BMKIMOJKDUMTSF-CZUORRHYSA-N 2 2 330.394 3.203 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C4CC4)cc3)[nH+]c2)C1 ZINC000459445276 310553395 /nfs/dbraw/zinc/55/33/95/310553395.db2.gz GQRHDTVEBIYHML-HXUWFJFHSA-N 2 2 336.483 3.133 20 0 EGADLP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000462357029 310598772 /nfs/dbraw/zinc/59/87/72/310598772.db2.gz GVUAQDNRNLHRLC-UYAOXDASSA-N 2 2 346.515 3.456 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000486924199 311002267 /nfs/dbraw/zinc/00/22/67/311002267.db2.gz IRZYBYJUVHGSBO-UHFFFAOYSA-N 2 2 340.895 3.329 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488931 311025728 /nfs/dbraw/zinc/02/57/28/311025728.db2.gz TYXOIACSHDKXDW-WMLDXEAASA-N 2 2 325.412 3.319 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488931 311025730 /nfs/dbraw/zinc/02/57/30/311025730.db2.gz TYXOIACSHDKXDW-WMLDXEAASA-N 2 2 325.412 3.319 20 0 EGADLP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000488451531 311066480 /nfs/dbraw/zinc/06/64/80/311066480.db2.gz STKQVSBPTZZEFU-AZUAARDMSA-N 2 2 347.572 3.318 20 0 EGADLP CC(C)(C)c1cc(N[C@@H]2CCn3cc[nH+]c3C2)nc(C(C)(C)C)[nH+]1 ZINC000489938133 311126117 /nfs/dbraw/zinc/12/61/17/311126117.db2.gz MMXZXJORHSHIBD-CYBMUJFWSA-N 2 2 327.476 3.117 20 0 EGADLP CCOC(=O)N1CCC([NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000492138710 311220572 /nfs/dbraw/zinc/22/05/72/311220572.db2.gz XFAFHJPKAXNVED-APWZRJJASA-N 2 2 347.503 3.197 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000492575390 311267223 /nfs/dbraw/zinc/26/72/23/311267223.db2.gz KAZAWKZAZKUDOZ-FPLPWBNLSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000496239835 311682876 /nfs/dbraw/zinc/68/28/76/311682876.db2.gz ZTEGPWQSWNUMJR-LSDHHAIUSA-N 2 2 336.480 3.044 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507503579 312075018 /nfs/dbraw/zinc/07/50/18/312075018.db2.gz AOQQISKNDLMORR-ZHHKINOHSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721536 312100559 /nfs/dbraw/zinc/10/05/59/312100559.db2.gz VHRHHDOEBOPNBT-SBHAEUEKSA-N 3 2 329.532 3.361 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)O1 ZINC000509153476 312110154 /nfs/dbraw/zinc/11/01/54/312110154.db2.gz LOEMRIHSAWLRAJ-IBGZPJMESA-N 2 2 345.531 3.134 20 0 EGADLP CCN1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985041 312152258 /nfs/dbraw/zinc/15/22/58/312152258.db2.gz YZTMLYQEXHCLNN-IHPCNDPISA-N 2 2 329.532 3.217 20 0 EGADLP CCN1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985041 312152261 /nfs/dbraw/zinc/15/22/61/312152261.db2.gz YZTMLYQEXHCLNN-IHPCNDPISA-N 2 2 329.532 3.217 20 0 EGADLP C[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1 ZINC000511250050 312157358 /nfs/dbraw/zinc/15/73/58/312157358.db2.gz IXVDKZNJIMPATK-LJQANCHMSA-N 2 2 338.495 3.376 20 0 EGADLP CC[NH2+]CCCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000515059251 312263443 /nfs/dbraw/zinc/26/34/43/312263443.db2.gz RDVAFSCKVYIHSK-UHFFFAOYSA-N 2 2 333.819 3.257 20 0 EGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc3ccoc32)nc[nH+]1 ZINC000517071230 312362290 /nfs/dbraw/zinc/36/22/90/312362290.db2.gz CFGBJRSBITUFRH-MRXNPFEDSA-N 2 2 337.427 3.023 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cnn1-c1ccc(F)cc1 ZINC000530225119 313500479 /nfs/dbraw/zinc/50/04/79/313500479.db2.gz WOLNJGVJIULLEU-FZKQIMNGSA-N 2 2 328.435 3.255 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000532701206 313832320 /nfs/dbraw/zinc/83/23/20/313832320.db2.gz LEPVRUGMAZUPEO-UHFFFAOYSA-N 2 2 341.293 3.290 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870714 314151246 /nfs/dbraw/zinc/15/12/46/314151246.db2.gz PLASNRKRKVANBX-BLLLJJGKSA-N 2 2 346.862 3.005 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870714 314151249 /nfs/dbraw/zinc/15/12/49/314151249.db2.gz PLASNRKRKVANBX-BLLLJJGKSA-N 2 2 346.862 3.005 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000537959244 314220538 /nfs/dbraw/zinc/22/05/38/314220538.db2.gz YWPLWHKXFPWPSL-UTKZUKDTSA-N 2 2 339.483 3.399 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000537959244 314220543 /nfs/dbraw/zinc/22/05/43/314220543.db2.gz YWPLWHKXFPWPSL-UTKZUKDTSA-N 2 2 339.483 3.399 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992138 314222605 /nfs/dbraw/zinc/22/26/05/314222605.db2.gz YESFPQDGYHHCIZ-SMDDNHRTSA-N 2 2 329.271 3.445 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992138 314222606 /nfs/dbraw/zinc/22/26/06/314222606.db2.gz YESFPQDGYHHCIZ-SMDDNHRTSA-N 2 2 329.271 3.445 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000538429629 314246495 /nfs/dbraw/zinc/24/64/95/314246495.db2.gz XVRCDVAEACUJCJ-WBVHZDCISA-N 2 2 336.476 3.447 20 0 EGADLP CCCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000538734508 314271495 /nfs/dbraw/zinc/27/14/95/314271495.db2.gz GOBXOGCAYWTHFE-HXUWFJFHSA-N 2 2 346.515 3.410 20 0 EGADLP CCCCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000538734508 314271498 /nfs/dbraw/zinc/27/14/98/314271498.db2.gz GOBXOGCAYWTHFE-HXUWFJFHSA-N 2 2 346.515 3.410 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000539496522 314317181 /nfs/dbraw/zinc/31/71/81/314317181.db2.gz NCZYJOZYRPWVNM-HZPDHXFCSA-N 2 2 329.488 3.200 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000539496522 314317185 /nfs/dbraw/zinc/31/71/85/314317185.db2.gz NCZYJOZYRPWVNM-HZPDHXFCSA-N 2 2 329.488 3.200 20 0 EGADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000540146830 314365373 /nfs/dbraw/zinc/36/53/73/314365373.db2.gz MBMFOKVJBXWFEP-PIPMEXSNSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000540146830 314365376 /nfs/dbraw/zinc/36/53/76/314365376.db2.gz MBMFOKVJBXWFEP-PIPMEXSNSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146830 314365379 /nfs/dbraw/zinc/36/53/79/314365379.db2.gz MBMFOKVJBXWFEP-PIPMEXSNSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146830 314365382 /nfs/dbraw/zinc/36/53/82/314365382.db2.gz MBMFOKVJBXWFEP-PIPMEXSNSA-N 2 2 335.495 3.426 20 0 EGADLP CCCc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C(C)C)cc1 ZINC000540301712 314373252 /nfs/dbraw/zinc/37/32/52/314373252.db2.gz NTQDLOQDRYAERG-PMACEKPBSA-N 2 2 345.531 3.266 20 0 EGADLP CCCc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C(C)C)cc1 ZINC000540301712 314373253 /nfs/dbraw/zinc/37/32/53/314373253.db2.gz NTQDLOQDRYAERG-PMACEKPBSA-N 2 2 345.531 3.266 20 0 EGADLP Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)c[nH+]1 ZINC000546610278 314838003 /nfs/dbraw/zinc/83/80/03/314838003.db2.gz BLDQGNMSFZNVCT-HNNXBMFYSA-N 2 2 344.484 3.093 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548902325 315061113 /nfs/dbraw/zinc/06/11/13/315061113.db2.gz PXGMBEYMUMVETQ-INIZCTEOSA-N 2 2 339.439 3.334 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548902325 315061118 /nfs/dbraw/zinc/06/11/18/315061118.db2.gz PXGMBEYMUMVETQ-INIZCTEOSA-N 2 2 339.439 3.334 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)c2ccccc21 ZINC000549232962 315082882 /nfs/dbraw/zinc/08/28/82/315082882.db2.gz MDKZCXNQYQLMQH-ATZDWAIDSA-N 2 2 330.472 3.100 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)c2ccccc21 ZINC000549232962 315082884 /nfs/dbraw/zinc/08/28/84/315082884.db2.gz MDKZCXNQYQLMQH-ATZDWAIDSA-N 2 2 330.472 3.100 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000549754872 315103756 /nfs/dbraw/zinc/10/37/56/315103756.db2.gz SKWQZFHFXCEHGW-BZSNNMDCSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000549754872 315103759 /nfs/dbraw/zinc/10/37/59/315103759.db2.gz SKWQZFHFXCEHGW-BZSNNMDCSA-N 2 2 336.520 3.495 20 0 EGADLP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000553095418 315245039 /nfs/dbraw/zinc/24/50/39/315245039.db2.gz VQFGJYLHSVHOOD-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000553095418 315245040 /nfs/dbraw/zinc/24/50/40/315245040.db2.gz VQFGJYLHSVHOOD-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccc(Cl)c3)c2cc1C ZINC000554820878 315350947 /nfs/dbraw/zinc/35/09/47/315350947.db2.gz YWOGFSXPPOAATC-QGZVFWFLSA-N 2 2 343.858 3.457 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000555538044 315388757 /nfs/dbraw/zinc/38/87/57/315388757.db2.gz OVMQLUFDJHUHGZ-KGLIPLIRSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000555538044 315388759 /nfs/dbraw/zinc/38/87/59/315388759.db2.gz OVMQLUFDJHUHGZ-KGLIPLIRSA-N 2 2 335.289 3.133 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697707 315397594 /nfs/dbraw/zinc/39/75/94/315397594.db2.gz UHZDYPYOLQFPMK-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697707 315397597 /nfs/dbraw/zinc/39/75/97/315397597.db2.gz UHZDYPYOLQFPMK-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697707 315397600 /nfs/dbraw/zinc/39/76/00/315397600.db2.gz UHZDYPYOLQFPMK-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697707 315397603 /nfs/dbraw/zinc/39/76/03/315397603.db2.gz UHZDYPYOLQFPMK-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP O=C1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2N1 ZINC000556702930 315454785 /nfs/dbraw/zinc/45/47/85/315454785.db2.gz XLXYCWDLZXFIEV-GOSISDBHSA-N 2 2 336.439 3.114 20 0 EGADLP CCCN1C(=O)C2(CCCCC2)[NH2+][C@@]12CCC[C@@H](c1[nH+]ccn1C)C2 ZINC000556882295 315479655 /nfs/dbraw/zinc/47/96/55/315479655.db2.gz ZBEWUHLKMUKIFN-UZLBHIALSA-N 2 2 344.503 3.319 20 0 EGADLP CCC[NH+]1CCC(NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000558715794 315596638 /nfs/dbraw/zinc/59/66/38/315596638.db2.gz UEBCELHPOVTLDM-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc2n[nH]cc2c1 ZINC000560581552 315710067 /nfs/dbraw/zinc/71/00/67/315710067.db2.gz SNUWCBBBHVVKBU-HNNXBMFYSA-N 2 2 335.455 3.273 20 0 EGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000563670484 316053100 /nfs/dbraw/zinc/05/31/00/316053100.db2.gz RQRREPLVZFQMMV-WMZOPIPTSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000563670484 316053103 /nfs/dbraw/zinc/05/31/03/316053103.db2.gz RQRREPLVZFQMMV-WMZOPIPTSA-N 2 2 341.455 3.314 20 0 EGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)[nH]1 ZINC000564823301 316212287 /nfs/dbraw/zinc/21/22/87/316212287.db2.gz IXSCUVCANRPRMH-NXNVCVFFSA-N 2 2 327.476 3.462 20 0 EGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cnc2ccsc2c1 ZINC000564822152 316212603 /nfs/dbraw/zinc/21/26/03/316212603.db2.gz FMSBWEBTVZUKHX-ZDUSSCGKSA-N 2 2 339.468 3.274 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@H](C)n3cc[nH+]c3)ccc2n1C1CC1 ZINC000565605584 316346454 /nfs/dbraw/zinc/34/64/54/316346454.db2.gz UALHHBQXODQXGY-ZDUSSCGKSA-N 2 2 337.427 3.144 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000565658111 316352542 /nfs/dbraw/zinc/35/25/42/316352542.db2.gz IQDZHBWAABMWRP-UXHICEINSA-N 2 2 342.462 3.426 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000565658111 316352545 /nfs/dbraw/zinc/35/25/45/316352545.db2.gz IQDZHBWAABMWRP-UXHICEINSA-N 2 2 342.462 3.426 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000565849681 316378487 /nfs/dbraw/zinc/37/84/87/316378487.db2.gz VGPHLLNSOLBKGV-PMPSAXMXSA-N 2 2 340.458 3.375 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)c2ccccc21 ZINC000568154004 316730984 /nfs/dbraw/zinc/73/09/84/316730984.db2.gz BGNGAPCAPYMXDT-VQTJNVASSA-N 2 2 335.451 3.043 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000570419891 317053787 /nfs/dbraw/zinc/05/37/87/317053787.db2.gz OKUMVHICZSHHCI-CMKODMSKSA-N 2 2 345.531 3.039 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000570419891 317053790 /nfs/dbraw/zinc/05/37/90/317053790.db2.gz OKUMVHICZSHHCI-CMKODMSKSA-N 2 2 345.531 3.039 20 0 EGADLP Cn1c[nH+]cc1CCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000572731932 317383613 /nfs/dbraw/zinc/38/36/13/317383613.db2.gz IKFMOCIEOROATG-UHFFFAOYSA-N 2 2 329.419 3.087 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230307656 456136337 /nfs/dbraw/zinc/13/63/37/456136337.db2.gz ZVCWWDKGQYYNDU-JTQLQIEISA-N 2 2 333.220 3.159 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230307656 456136343 /nfs/dbraw/zinc/13/63/43/456136343.db2.gz ZVCWWDKGQYYNDU-JTQLQIEISA-N 2 2 333.220 3.159 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290553638 456361961 /nfs/dbraw/zinc/36/19/61/456361961.db2.gz RXYNRHHTZKHESL-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000290553638 456361965 /nfs/dbraw/zinc/36/19/65/456361965.db2.gz RXYNRHHTZKHESL-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290553638 456361969 /nfs/dbraw/zinc/36/19/69/456361969.db2.gz RXYNRHHTZKHESL-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290553638 456361972 /nfs/dbraw/zinc/36/19/72/456361972.db2.gz RXYNRHHTZKHESL-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000409449102 324296730 /nfs/dbraw/zinc/29/67/30/324296730.db2.gz IJRVDINFPMQVID-SFHVURJKSA-N 2 2 329.488 3.394 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000575129883 324423657 /nfs/dbraw/zinc/42/36/57/324423657.db2.gz CABODTUYFGYPFU-NSHDSACASA-N 2 2 344.286 3.381 20 0 EGADLP CC(=O)c1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)on1 ZINC000575999886 324526323 /nfs/dbraw/zinc/52/63/23/324526323.db2.gz NZWIPTGJOILBSP-UHFFFAOYSA-N 2 2 338.411 3.372 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000578746314 325012687 /nfs/dbraw/zinc/01/26/87/325012687.db2.gz MWLNVBOSJYDQSY-WOJBJXKFSA-N 2 2 343.515 3.179 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000578746314 325012689 /nfs/dbraw/zinc/01/26/89/325012689.db2.gz MWLNVBOSJYDQSY-WOJBJXKFSA-N 2 2 343.515 3.179 20 0 EGADLP COc1cccc2c1CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000580032607 325191584 /nfs/dbraw/zinc/19/15/84/325191584.db2.gz BSCONVAUQQTIJY-GOSISDBHSA-N 2 2 325.456 3.438 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000580063905 325197790 /nfs/dbraw/zinc/19/77/90/325197790.db2.gz ANYCWBWKSYOBDY-KXBFYZLASA-N 2 2 348.874 3.314 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(F)c(F)cc2Br)n1C ZINC000580571775 325269386 /nfs/dbraw/zinc/26/93/86/325269386.db2.gz DLEDFVWHSCQEHN-UHFFFAOYSA-N 2 2 330.176 3.059 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@]3(O)CCC[C@H](C(F)(F)F)C3)c[nH+]c12 ZINC000189600608 455222769 /nfs/dbraw/zinc/22/27/69/455222769.db2.gz UYIDGEWDCQYGLG-XJKSGUPXSA-N 2 2 341.377 3.216 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428850960 458223061 /nfs/dbraw/zinc/22/30/61/458223061.db2.gz ORPVUTSWTJZSMA-GFCCVEGCSA-N 2 2 336.423 3.213 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428850960 458223067 /nfs/dbraw/zinc/22/30/67/458223067.db2.gz ORPVUTSWTJZSMA-GFCCVEGCSA-N 2 2 336.423 3.213 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cn1 ZINC000566537465 458954849 /nfs/dbraw/zinc/95/48/49/458954849.db2.gz PTPHVXZKHGFTDK-LBPRGKRZSA-N 2 2 349.276 3.270 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](c1nccn1C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000183291845 455272274 /nfs/dbraw/zinc/27/22/74/455272274.db2.gz XLHHJENQLKPYIX-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](c1nccn1C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000183291845 455272278 /nfs/dbraw/zinc/27/22/78/455272278.db2.gz XLHHJENQLKPYIX-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448059 455304112 /nfs/dbraw/zinc/30/41/12/455304112.db2.gz MPABYVBODXGSLL-QUCCMNQESA-N 2 2 347.547 3.189 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448059 455304114 /nfs/dbraw/zinc/30/41/14/455304114.db2.gz MPABYVBODXGSLL-QUCCMNQESA-N 2 2 347.547 3.189 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158955163 455340926 /nfs/dbraw/zinc/34/09/26/455340926.db2.gz OICXFCFZTCNCGJ-MJGOQNOKSA-N 2 2 344.499 3.115 20 0 EGADLP CCOC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC000616750774 460613427 /nfs/dbraw/zinc/61/34/27/460613427.db2.gz TYLRMSHAAUSWEN-UHFFFAOYSA-N 2 2 341.455 3.346 20 0 EGADLP CCOC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC000616750774 460613434 /nfs/dbraw/zinc/61/34/34/460613434.db2.gz TYLRMSHAAUSWEN-UHFFFAOYSA-N 2 2 341.455 3.346 20 0 EGADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000600812041 460613500 /nfs/dbraw/zinc/61/35/00/460613500.db2.gz JQLGXQXWPKVVQT-LDVBQKTRSA-N 2 2 329.532 3.486 20 0 EGADLP CCCCC/C(=C/c1ccccc1)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000600812041 460613507 /nfs/dbraw/zinc/61/35/07/460613507.db2.gz JQLGXQXWPKVVQT-LDVBQKTRSA-N 2 2 329.532 3.486 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)C2 ZINC000616754231 460615320 /nfs/dbraw/zinc/61/53/20/460615320.db2.gz KTPYDGAXUYIGAK-UHFFFAOYSA-N 2 2 347.418 3.483 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)C2 ZINC000616754231 460615323 /nfs/dbraw/zinc/61/53/23/460615323.db2.gz KTPYDGAXUYIGAK-UHFFFAOYSA-N 2 2 347.418 3.483 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630216 453898036 /nfs/dbraw/zinc/89/80/36/453898036.db2.gz BUTZZKSUJHROJG-AWEZNQCLSA-N 2 2 336.863 3.232 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630216 453898040 /nfs/dbraw/zinc/89/80/40/453898040.db2.gz BUTZZKSUJHROJG-AWEZNQCLSA-N 2 2 336.863 3.232 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630216 453898042 /nfs/dbraw/zinc/89/80/42/453898042.db2.gz BUTZZKSUJHROJG-AWEZNQCLSA-N 2 2 336.863 3.232 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630216 453898046 /nfs/dbraw/zinc/89/80/46/453898046.db2.gz BUTZZKSUJHROJG-AWEZNQCLSA-N 2 2 336.863 3.232 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000081631005 453898414 /nfs/dbraw/zinc/89/84/14/453898414.db2.gz YMWADTZEIIXHBM-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000081631005 453898417 /nfs/dbraw/zinc/89/84/17/453898417.db2.gz YMWADTZEIIXHBM-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000081631005 453898419 /nfs/dbraw/zinc/89/84/19/453898419.db2.gz YMWADTZEIIXHBM-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000081631005 453898421 /nfs/dbraw/zinc/89/84/21/453898421.db2.gz YMWADTZEIIXHBM-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000190784550 455382363 /nfs/dbraw/zinc/38/23/63/455382363.db2.gz NUIPDOSOYCNTCW-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]C3CCSCC3)CC2)cc1 ZINC000075810098 453928153 /nfs/dbraw/zinc/92/81/53/453928153.db2.gz VZPCNOMBCQPMIZ-UHFFFAOYSA-N 2 2 347.572 3.070 20 0 EGADLP Cc1occc1C[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000055055242 453959564 /nfs/dbraw/zinc/95/95/64/453959564.db2.gz YDHAFYHIMZIFAG-KRWDZBQOSA-N 2 2 327.428 3.047 20 0 EGADLP Cc1occc1C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000055055242 453959567 /nfs/dbraw/zinc/95/95/67/453959567.db2.gz YDHAFYHIMZIFAG-KRWDZBQOSA-N 2 2 327.428 3.047 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000070395543 454168997 /nfs/dbraw/zinc/16/89/97/454168997.db2.gz NCPHBFSVEVQQPJ-ZDUSSCGKSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000070395543 454168999 /nfs/dbraw/zinc/16/89/99/454168999.db2.gz NCPHBFSVEVQQPJ-ZDUSSCGKSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000265981727 455420051 /nfs/dbraw/zinc/42/00/51/455420051.db2.gz BRJCWCHCILXMLG-LSDHHAIUSA-N 2 2 340.414 3.003 20 0 EGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000265981727 455420057 /nfs/dbraw/zinc/42/00/57/455420057.db2.gz BRJCWCHCILXMLG-LSDHHAIUSA-N 2 2 340.414 3.003 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000089694321 454178706 /nfs/dbraw/zinc/17/87/06/454178706.db2.gz YOUZRDJKTTZFAY-CQSZACIVSA-N 2 2 327.241 3.259 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000130390285 454193652 /nfs/dbraw/zinc/19/36/52/454193652.db2.gz PXFQXNZEQRQRFP-YWZLYKJASA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000130390285 454193658 /nfs/dbraw/zinc/19/36/58/454193658.db2.gz PXFQXNZEQRQRFP-YWZLYKJASA-N 2 2 345.437 3.403 20 0 EGADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000078246753 454216343 /nfs/dbraw/zinc/21/63/43/454216343.db2.gz PGFFRRAMWMRWRM-HNNXBMFYSA-N 2 2 331.847 3.189 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000119904840 454234586 /nfs/dbraw/zinc/23/45/86/454234586.db2.gz AICYSDOFRMOMGL-ZNMIVQPWSA-N 2 2 342.430 3.438 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000119904840 454234589 /nfs/dbraw/zinc/23/45/89/454234589.db2.gz AICYSDOFRMOMGL-ZNMIVQPWSA-N 2 2 342.430 3.438 20 0 EGADLP CSC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095968285 454243112 /nfs/dbraw/zinc/24/31/12/454243112.db2.gz DNNIHBNCLMLTQQ-QGZVFWFLSA-N 2 2 342.936 3.008 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000131490173 454258460 /nfs/dbraw/zinc/25/84/60/454258460.db2.gz KGRMTMNUUKUCTG-WMZOPIPTSA-N 2 2 334.504 3.018 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000090003918 454260916 /nfs/dbraw/zinc/26/09/16/454260916.db2.gz WWBQYUZIGBZIBP-NSHDSACASA-N 2 2 344.406 3.350 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000090003918 454260917 /nfs/dbraw/zinc/26/09/17/454260917.db2.gz WWBQYUZIGBZIBP-NSHDSACASA-N 2 2 344.406 3.350 20 0 EGADLP CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072073514 454271383 /nfs/dbraw/zinc/27/13/83/454271383.db2.gz ZORBHKMJBWNJFX-GOSISDBHSA-N 2 2 340.471 3.001 20 0 EGADLP CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072073514 454271388 /nfs/dbraw/zinc/27/13/88/454271388.db2.gz ZORBHKMJBWNJFX-GOSISDBHSA-N 2 2 340.471 3.001 20 0 EGADLP Fc1ccc(Br)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000090168471 454287913 /nfs/dbraw/zinc/28/79/13/454287913.db2.gz MSCFXEGAWYTYHP-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266704567 455439100 /nfs/dbraw/zinc/43/91/00/455439100.db2.gz DMQXDOZGRZWUME-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000090847059 454344821 /nfs/dbraw/zinc/34/48/21/454344821.db2.gz LLXQBQPATMSFMJ-KRWDZBQOSA-N 3 2 327.472 3.224 20 0 EGADLP CC[N@H+](CCCNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000047884673 454414755 /nfs/dbraw/zinc/41/47/55/454414755.db2.gz DJNOMOOSPBAXFO-UHFFFAOYSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000047884673 454414759 /nfs/dbraw/zinc/41/47/59/454414759.db2.gz DJNOMOOSPBAXFO-UHFFFAOYSA-N 2 2 346.519 3.075 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097236856 454428369 /nfs/dbraw/zinc/42/83/69/454428369.db2.gz CXADCWDZDJQSSX-OAHLLOKOSA-N 2 2 339.443 3.166 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097236856 454428375 /nfs/dbraw/zinc/42/83/75/454428375.db2.gz CXADCWDZDJQSSX-OAHLLOKOSA-N 2 2 339.443 3.166 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000097376335 454434764 /nfs/dbraw/zinc/43/47/64/454434764.db2.gz MEZWMNWDJYIFIK-HNAYVOBHSA-N 3 2 344.528 3.382 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000097376335 454434769 /nfs/dbraw/zinc/43/47/69/454434769.db2.gz MEZWMNWDJYIFIK-HNAYVOBHSA-N 3 2 344.528 3.382 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121433128 454435303 /nfs/dbraw/zinc/43/53/03/454435303.db2.gz MEMZGDRSXYLRJE-FUHIMQAGSA-N 3 2 326.488 3.080 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121433128 454435307 /nfs/dbraw/zinc/43/53/07/454435307.db2.gz MEMZGDRSXYLRJE-FUHIMQAGSA-N 3 2 326.488 3.080 20 0 EGADLP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960554 454495119 /nfs/dbraw/zinc/49/51/19/454495119.db2.gz LQDLNOQNUTYUAH-KSSFIOAISA-N 2 2 339.418 3.495 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960554 454495123 /nfs/dbraw/zinc/49/51/23/454495123.db2.gz LQDLNOQNUTYUAH-KSSFIOAISA-N 2 2 339.418 3.495 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1nc2c(s1)CCC2 ZINC000134773978 454587660 /nfs/dbraw/zinc/58/76/60/454587660.db2.gz XTRRZDPHTATOGL-CQSZACIVSA-N 2 2 342.512 3.342 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1nc2c(s1)CCC2 ZINC000134773958 454587795 /nfs/dbraw/zinc/58/77/95/454587795.db2.gz XTRRZDPHTATOGL-AWEZNQCLSA-N 2 2 342.512 3.342 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860900 454599479 /nfs/dbraw/zinc/59/94/79/454599479.db2.gz FYCGNRXGYVDTJJ-QUCCMNQESA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860900 454599484 /nfs/dbraw/zinc/59/94/84/454599484.db2.gz FYCGNRXGYVDTJJ-QUCCMNQESA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860900 454599488 /nfs/dbraw/zinc/59/94/88/454599488.db2.gz FYCGNRXGYVDTJJ-QUCCMNQESA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860900 454599493 /nfs/dbraw/zinc/59/94/93/454599493.db2.gz FYCGNRXGYVDTJJ-QUCCMNQESA-N 2 2 349.563 3.076 20 0 EGADLP c1cn(-c2ccccc2)nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945845 454615377 /nfs/dbraw/zinc/61/53/77/454615377.db2.gz QOXISOMZVDXPSQ-DYESRHJHSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccccc2)nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945845 454615380 /nfs/dbraw/zinc/61/53/80/454615380.db2.gz QOXISOMZVDXPSQ-DYESRHJHSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134945845 454615387 /nfs/dbraw/zinc/61/53/87/454615387.db2.gz QOXISOMZVDXPSQ-DYESRHJHSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134945845 454615394 /nfs/dbraw/zinc/61/53/94/454615394.db2.gz QOXISOMZVDXPSQ-DYESRHJHSA-N 2 2 336.483 3.321 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)[nH]1 ZINC000080959204 454658032 /nfs/dbraw/zinc/65/80/32/454658032.db2.gz IOJNHSCONDYCBE-MRXNPFEDSA-N 2 2 347.466 3.464 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)[nH]1 ZINC000080959204 454658033 /nfs/dbraw/zinc/65/80/33/454658033.db2.gz IOJNHSCONDYCBE-MRXNPFEDSA-N 2 2 347.466 3.464 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000635001631 460646562 /nfs/dbraw/zinc/64/65/62/460646562.db2.gz WZBSPIIPWGECMR-UHFFFAOYSA-N 2 2 334.460 3.101 20 0 EGADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093042806 454674150 /nfs/dbraw/zinc/67/41/50/454674150.db2.gz VXYODVBPKCZGEO-LJQANCHMSA-N 2 2 333.520 3.078 20 0 EGADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093042806 454674151 /nfs/dbraw/zinc/67/41/51/454674151.db2.gz VXYODVBPKCZGEO-LJQANCHMSA-N 2 2 333.520 3.078 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123844318 454680960 /nfs/dbraw/zinc/68/09/60/454680960.db2.gz KPGMCWCWXOBSKJ-INIZCTEOSA-N 2 2 328.460 3.113 20 0 EGADLP C[C@@H]1CCC[C@@](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)([NH+](C)C)C1 ZINC000106541411 454700299 /nfs/dbraw/zinc/70/02/99/454700299.db2.gz NTOYOJXZIIPYTA-GPMSIDNRSA-N 2 2 347.507 3.157 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000124213358 454707161 /nfs/dbraw/zinc/70/71/61/454707161.db2.gz PMGRRUYANKVCIT-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000124213358 454707165 /nfs/dbraw/zinc/70/71/65/454707165.db2.gz PMGRRUYANKVCIT-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000124213358 454707170 /nfs/dbraw/zinc/70/71/70/454707170.db2.gz PMGRRUYANKVCIT-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000124213358 454707174 /nfs/dbraw/zinc/70/71/74/454707174.db2.gz PMGRRUYANKVCIT-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283844 454722527 /nfs/dbraw/zinc/72/25/27/454722527.db2.gz BJQGUAZSSPCYPN-MRXNPFEDSA-N 2 2 329.492 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283844 454722532 /nfs/dbraw/zinc/72/25/32/454722532.db2.gz BJQGUAZSSPCYPN-MRXNPFEDSA-N 2 2 329.492 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283844 454722533 /nfs/dbraw/zinc/72/25/33/454722533.db2.gz BJQGUAZSSPCYPN-MRXNPFEDSA-N 2 2 329.492 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283844 454722538 /nfs/dbraw/zinc/72/25/38/454722538.db2.gz BJQGUAZSSPCYPN-MRXNPFEDSA-N 2 2 329.492 3.176 20 0 EGADLP CN(CC[NH+]1CCOCC1)c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000124503924 454741346 /nfs/dbraw/zinc/74/13/46/454741346.db2.gz AVXYHJNBWNWIGD-UHFFFAOYSA-N 2 2 339.361 3.022 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000620434807 460651796 /nfs/dbraw/zinc/65/17/96/460651796.db2.gz IWJYKRQUCBTERN-UHFFFAOYSA-N 2 2 339.483 3.266 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124526326 454744996 /nfs/dbraw/zinc/74/49/96/454744996.db2.gz KZDFAUJNRYAMCZ-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124526326 454744998 /nfs/dbraw/zinc/74/49/98/454744998.db2.gz KZDFAUJNRYAMCZ-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)Oc1cccc(F)c1 ZINC000124595243 454750761 /nfs/dbraw/zinc/75/07/61/454750761.db2.gz BREBTELKKGQPKB-MRXNPFEDSA-N 2 2 343.446 3.242 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494907 454751627 /nfs/dbraw/zinc/75/16/27/454751627.db2.gz BWIYZXTYWKCMNP-ZWOKBUDYSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494907 454751634 /nfs/dbraw/zinc/75/16/34/454751634.db2.gz BWIYZXTYWKCMNP-ZWOKBUDYSA-N 3 2 326.488 3.253 20 0 EGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccnc3)CC2)c1 ZINC000107318831 454751866 /nfs/dbraw/zinc/75/18/66/454751866.db2.gz DIONXYJEBHOFSY-UHFFFAOYSA-N 2 2 344.890 3.037 20 0 EGADLP CC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136931948 454762032 /nfs/dbraw/zinc/76/20/32/454762032.db2.gz DFLPXCZKIOSMRZ-KRWDZBQOSA-N 2 2 344.421 3.373 20 0 EGADLP CC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136931948 454762034 /nfs/dbraw/zinc/76/20/34/454762034.db2.gz DFLPXCZKIOSMRZ-KRWDZBQOSA-N 2 2 344.421 3.373 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438009 454847097 /nfs/dbraw/zinc/84/70/97/454847097.db2.gz NWZVRDKGWBTVMW-DOTOQJQBSA-N 2 2 341.455 3.455 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438009 454847102 /nfs/dbraw/zinc/84/71/02/454847102.db2.gz NWZVRDKGWBTVMW-DOTOQJQBSA-N 2 2 341.455 3.455 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000163446097 454847979 /nfs/dbraw/zinc/84/79/79/454847979.db2.gz XPNRRIVEOQBXGK-MRXNPFEDSA-N 2 2 336.476 3.032 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000163446097 454847982 /nfs/dbraw/zinc/84/79/82/454847982.db2.gz XPNRRIVEOQBXGK-MRXNPFEDSA-N 2 2 336.476 3.032 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000154077338 454862829 /nfs/dbraw/zinc/86/28/29/454862829.db2.gz NOJPYPYBAAOVQK-QRQLOZEOSA-N 2 2 327.472 3.135 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000154077338 454862830 /nfs/dbraw/zinc/86/28/30/454862830.db2.gz NOJPYPYBAAOVQK-QRQLOZEOSA-N 2 2 327.472 3.135 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000163797438 454864739 /nfs/dbraw/zinc/86/47/39/454864739.db2.gz AOECVUVEPIHPKO-AWEZNQCLSA-N 2 2 338.455 3.464 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000177588738 454881160 /nfs/dbraw/zinc/88/11/60/454881160.db2.gz DHSYDENICPXTGB-SJORKVTESA-N 2 2 339.439 3.477 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266958142 455483352 /nfs/dbraw/zinc/48/33/52/455483352.db2.gz VWRQYHQXWVLAAB-GFCCVEGCSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266958142 455483356 /nfs/dbraw/zinc/48/33/56/455483356.db2.gz VWRQYHQXWVLAAB-GFCCVEGCSA-N 2 2 343.818 3.493 20 0 EGADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc2)c1 ZINC000154390032 454891744 /nfs/dbraw/zinc/89/17/44/454891744.db2.gz BCSCHMYVIMAMLM-XLIONFOSSA-N 2 2 342.483 3.147 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309617 454897902 /nfs/dbraw/zinc/89/79/02/454897902.db2.gz RIPLJFWZMYRCKA-CABCVRRESA-N 2 2 345.466 3.097 20 0 EGADLP C[C@H]([NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CCOC1 ZINC000165358456 454898795 /nfs/dbraw/zinc/89/87/95/454898795.db2.gz DVHMZBGIIXFNJI-VDGAXYAQSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@H]([NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CCOC1 ZINC000165358456 454898798 /nfs/dbraw/zinc/89/87/98/454898798.db2.gz DVHMZBGIIXFNJI-VDGAXYAQSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367284 454900247 /nfs/dbraw/zinc/90/02/47/454900247.db2.gz PTIFBHUMJVOSKT-JXXFODFXSA-N 3 2 333.495 3.108 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367284 454900249 /nfs/dbraw/zinc/90/02/49/454900249.db2.gz PTIFBHUMJVOSKT-JXXFODFXSA-N 3 2 333.495 3.108 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150839994 454900298 /nfs/dbraw/zinc/90/02/98/454900298.db2.gz CXMZQOFRILDFRW-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150839994 454900299 /nfs/dbraw/zinc/90/02/99/454900299.db2.gz CXMZQOFRILDFRW-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CCCC[NH2+]4)cc3)[nH+]c12 ZINC000165502130 454900854 /nfs/dbraw/zinc/90/08/54/454900854.db2.gz IPJMEIITWVUVRI-QGZVFWFLSA-N 2 2 334.423 3.390 20 0 EGADLP COCCC[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000178535535 454960233 /nfs/dbraw/zinc/96/02/33/454960233.db2.gz ZEPCUDGXHHUXQR-MSOLQXFVSA-N 2 2 334.504 3.291 20 0 EGADLP C[NH+](C)CCCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114674841 454967708 /nfs/dbraw/zinc/96/77/08/454967708.db2.gz YWJBEIYNTUYGIB-UHFFFAOYSA-N 2 2 333.819 3.209 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178698979 454968327 /nfs/dbraw/zinc/96/83/27/454968327.db2.gz SZSUAMHBNUIQAF-YLJYHZDGSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178698979 454968331 /nfs/dbraw/zinc/96/83/31/454968331.db2.gz SZSUAMHBNUIQAF-YLJYHZDGSA-N 3 2 326.488 3.082 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000155358782 454991424 /nfs/dbraw/zinc/99/14/24/454991424.db2.gz PNDJGGKZORJDDE-DOTOQJQBSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000155358782 454991426 /nfs/dbraw/zinc/99/14/26/454991426.db2.gz PNDJGGKZORJDDE-DOTOQJQBSA-N 2 2 343.471 3.026 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc(C)c1F ZINC000155368818 454993001 /nfs/dbraw/zinc/99/30/01/454993001.db2.gz VOYLDWVMDWSKTE-FUHWJXTLSA-N 2 2 349.494 3.036 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc(C)c1F ZINC000155368818 454993005 /nfs/dbraw/zinc/99/30/05/454993005.db2.gz VOYLDWVMDWSKTE-FUHWJXTLSA-N 2 2 349.494 3.036 20 0 EGADLP O=C(c1ccccc1Cl)N1CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000128213347 455035517 /nfs/dbraw/zinc/03/55/17/455035517.db2.gz BNJBQKORGWLDEX-UHFFFAOYSA-N 2 2 349.906 3.020 20 0 EGADLP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745406 455039724 /nfs/dbraw/zinc/03/97/24/455039724.db2.gz XLCDMYBYYUXGRS-YSIASYRMSA-N 2 2 333.520 3.333 20 0 EGADLP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745406 455039727 /nfs/dbraw/zinc/03/97/27/455039727.db2.gz XLCDMYBYYUXGRS-YSIASYRMSA-N 2 2 333.520 3.333 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000155775950 455043921 /nfs/dbraw/zinc/04/39/21/455043921.db2.gz SSDUUWKRIAKZBQ-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000155775950 455043925 /nfs/dbraw/zinc/04/39/25/455043925.db2.gz SSDUUWKRIAKZBQ-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179483040 455051117 /nfs/dbraw/zinc/05/11/17/455051117.db2.gz RRNMHOLVOPVTBH-WWGRRREGSA-N 2 2 348.397 3.071 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000155851601 455052846 /nfs/dbraw/zinc/05/28/46/455052846.db2.gz IKPKBVXEPHQGBT-UHFFFAOYSA-N 2 2 334.423 3.401 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC000116397259 455054823 /nfs/dbraw/zinc/05/48/23/455054823.db2.gz WIORSWBSRJEBBS-WMLDXEAASA-N 2 2 337.483 3.417 20 0 EGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccnc1Cl ZINC000116396052 455055178 /nfs/dbraw/zinc/05/51/78/455055178.db2.gz QDSVCQAOTAUXGO-JSGCOSHPSA-N 2 2 340.899 3.018 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148415 455078265 /nfs/dbraw/zinc/07/82/65/455078265.db2.gz MGVJZLNCTPJESI-AVYPCKFXSA-N 2 2 327.472 3.333 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148415 455078270 /nfs/dbraw/zinc/07/82/70/455078270.db2.gz MGVJZLNCTPJESI-AVYPCKFXSA-N 2 2 327.472 3.333 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152358612 455107038 /nfs/dbraw/zinc/10/70/38/455107038.db2.gz UEXTZYLHZLCAMV-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152358612 455107040 /nfs/dbraw/zinc/10/70/40/455107040.db2.gz UEXTZYLHZLCAMV-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152358612 455107044 /nfs/dbraw/zinc/10/70/44/455107044.db2.gz UEXTZYLHZLCAMV-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152358612 455107048 /nfs/dbraw/zinc/10/70/48/455107048.db2.gz UEXTZYLHZLCAMV-FQEVSTJZSA-N 2 2 345.531 3.007 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656874 460662861 /nfs/dbraw/zinc/66/28/61/460662861.db2.gz DNJXSSLOYMTIMG-LJQANCHMSA-N 3 2 347.522 3.154 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656874 460662865 /nfs/dbraw/zinc/66/28/65/460662865.db2.gz DNJXSSLOYMTIMG-LJQANCHMSA-N 3 2 347.522 3.154 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000156463127 455121052 /nfs/dbraw/zinc/12/10/52/455121052.db2.gz XAYIDIIBRYBZPT-TXPKVOOTSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000156463127 455121055 /nfs/dbraw/zinc/12/10/55/455121055.db2.gz XAYIDIIBRYBZPT-TXPKVOOTSA-N 2 2 340.471 3.356 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156520080 455127693 /nfs/dbraw/zinc/12/76/93/455127693.db2.gz QYWVTOKDILETNP-XYJFISCASA-N 2 2 326.444 3.102 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156520080 455127697 /nfs/dbraw/zinc/12/76/97/455127697.db2.gz QYWVTOKDILETNP-XYJFISCASA-N 2 2 326.444 3.102 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088929 455130402 /nfs/dbraw/zinc/13/04/02/455130402.db2.gz GUCGFSFWRNZVML-GHTZIAJQSA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088929 455130405 /nfs/dbraw/zinc/13/04/05/455130405.db2.gz GUCGFSFWRNZVML-GHTZIAJQSA-N 2 2 342.458 3.286 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000156588941 455136400 /nfs/dbraw/zinc/13/64/00/455136400.db2.gz HONLIPIJZDCKBY-QFBILLFUSA-N 2 2 342.487 3.075 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000156588941 455136401 /nfs/dbraw/zinc/13/64/01/455136401.db2.gz HONLIPIJZDCKBY-QFBILLFUSA-N 2 2 342.487 3.075 20 0 EGADLP C[C@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000180174686 455144456 /nfs/dbraw/zinc/14/44/56/455144456.db2.gz HBHVTWNAZXZPBC-OXQOHEQNSA-N 2 2 344.478 3.360 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCC(=O)N3CCc4ccccc43)n2c1 ZINC000156718446 455146386 /nfs/dbraw/zinc/14/63/86/455146386.db2.gz HZERRBDXADWSTI-UHFFFAOYSA-N 2 2 348.450 3.102 20 0 EGADLP COc1cc(Cl)ccc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000156845348 455153232 /nfs/dbraw/zinc/15/32/32/455153232.db2.gz JBAZRVVZTIEGQS-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CC(C)[N@H+](C)CCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264841178 455290307 /nfs/dbraw/zinc/29/03/07/455290307.db2.gz DMSYBFBDZCMRAI-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP CC(C)[N@@H+](C)CCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264841178 455290312 /nfs/dbraw/zinc/29/03/12/455290312.db2.gz DMSYBFBDZCMRAI-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157293825 455181365 /nfs/dbraw/zinc/18/13/65/455181365.db2.gz WHWYMWQAUOEJPL-QAPCUYQASA-N 2 2 333.451 3.103 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157293825 455181369 /nfs/dbraw/zinc/18/13/69/455181369.db2.gz WHWYMWQAUOEJPL-QAPCUYQASA-N 2 2 333.451 3.103 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189371032 455185784 /nfs/dbraw/zinc/18/57/84/455185784.db2.gz XJPCLYLUYJFXFK-UHFFFAOYSA-N 2 2 328.859 3.458 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cc3cn4ccccc4[nH+]3)c2C1 ZINC000158312649 455290662 /nfs/dbraw/zinc/29/06/62/455290662.db2.gz NRPOSDXFYLHRGT-UHFFFAOYSA-N 2 2 348.450 3.487 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3cn4ccccc4[nH+]3)c2C1 ZINC000158312649 455290665 /nfs/dbraw/zinc/29/06/65/455290665.db2.gz NRPOSDXFYLHRGT-UHFFFAOYSA-N 2 2 348.450 3.487 20 0 EGADLP COC(=O)c1cc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2o1 ZINC000172800244 455189767 /nfs/dbraw/zinc/18/97/67/455189767.db2.gz WQSRNDKBHHQPSN-UHFFFAOYSA-N 2 2 339.395 3.253 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H](c2ccco2)[NH+](C)C)c1C ZINC000264458500 455217463 /nfs/dbraw/zinc/21/74/63/455217463.db2.gz XLNVIUXGXWYKBO-MRXNPFEDSA-N 2 2 337.427 3.463 20 0 EGADLP FC(F)COCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000189565749 455218601 /nfs/dbraw/zinc/21/86/01/455218601.db2.gz LTQMGEXLIAOZTK-MSOLQXFVSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000189565749 455218607 /nfs/dbraw/zinc/21/86/07/455218607.db2.gz LTQMGEXLIAOZTK-MSOLQXFVSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000189565749 455218611 /nfs/dbraw/zinc/21/86/11/455218611.db2.gz LTQMGEXLIAOZTK-MSOLQXFVSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000189565749 455218617 /nfs/dbraw/zinc/21/86/17/455218617.db2.gz LTQMGEXLIAOZTK-MSOLQXFVSA-N 2 2 338.442 3.255 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245436656 455298919 /nfs/dbraw/zinc/29/89/19/455298919.db2.gz DKIZQCHZECJPCT-IEBWSBKVSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245436656 455298924 /nfs/dbraw/zinc/29/89/24/455298924.db2.gz DKIZQCHZECJPCT-IEBWSBKVSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245436656 455298928 /nfs/dbraw/zinc/29/89/28/455298928.db2.gz DKIZQCHZECJPCT-IEBWSBKVSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245436656 455298932 /nfs/dbraw/zinc/29/89/32/455298932.db2.gz DKIZQCHZECJPCT-IEBWSBKVSA-N 2 2 347.503 3.219 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445238 455303286 /nfs/dbraw/zinc/30/32/86/455303286.db2.gz KFFCTKLPURTSCF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445238 455303293 /nfs/dbraw/zinc/30/32/93/455303293.db2.gz KFFCTKLPURTSCF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445238 455303296 /nfs/dbraw/zinc/30/32/96/455303296.db2.gz KFFCTKLPURTSCF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445238 455303299 /nfs/dbraw/zinc/30/32/99/455303299.db2.gz KFFCTKLPURTSCF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173601209 455315213 /nfs/dbraw/zinc/31/52/13/455315213.db2.gz YKIHBJLVLVECNB-PKOBYXMFSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173601209 455315218 /nfs/dbraw/zinc/31/52/18/455315218.db2.gz YKIHBJLVLVECNB-PKOBYXMFSA-N 2 2 343.515 3.384 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173620541 455317595 /nfs/dbraw/zinc/31/75/95/455317595.db2.gz YWBMZHNSSIVGCO-CQSZACIVSA-N 2 2 335.517 3.198 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000245511342 455318543 /nfs/dbraw/zinc/31/85/43/455318543.db2.gz MFUMNRWZHRPHJJ-QRWLVFNGSA-N 2 2 332.463 3.388 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000245511342 455318546 /nfs/dbraw/zinc/31/85/46/455318546.db2.gz MFUMNRWZHRPHJJ-QRWLVFNGSA-N 2 2 332.463 3.388 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(OC2CCCC2)c1 ZINC000158715418 455325060 /nfs/dbraw/zinc/32/50/60/455325060.db2.gz NADQZIZVIZKVMH-BEFAXECRSA-N 2 2 332.488 3.446 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(OC2CCCC2)c1 ZINC000158715418 455325063 /nfs/dbraw/zinc/32/50/63/455325063.db2.gz NADQZIZVIZKVMH-BEFAXECRSA-N 2 2 332.488 3.446 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000181460809 455337032 /nfs/dbraw/zinc/33/70/32/455337032.db2.gz DOELSTORECFCMW-QZTJIDSGSA-N 2 2 327.472 3.267 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000181460774 455337470 /nfs/dbraw/zinc/33/74/70/455337470.db2.gz DOELSTORECFCMW-ZWKOTPCHSA-N 2 2 327.472 3.267 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000245833327 455383001 /nfs/dbraw/zinc/38/30/01/455383001.db2.gz GRVUQITZZMGXQL-RHSMWYFYSA-N 2 2 333.863 3.062 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000245833327 455383008 /nfs/dbraw/zinc/38/30/08/455383008.db2.gz GRVUQITZZMGXQL-RHSMWYFYSA-N 2 2 333.863 3.062 20 0 EGADLP CC[N@@H+](Cc1cccc(OC)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485720 455396294 /nfs/dbraw/zinc/39/62/94/455396294.db2.gz HLSGIYWYHHGOHS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@H+](Cc1cccc(OC)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174485720 455396297 /nfs/dbraw/zinc/39/62/97/455396297.db2.gz HLSGIYWYHHGOHS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cccc(OC)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174485720 455396300 /nfs/dbraw/zinc/39/63/00/455396300.db2.gz HLSGIYWYHHGOHS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cccc(OC)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485720 455396303 /nfs/dbraw/zinc/39/63/03/455396303.db2.gz HLSGIYWYHHGOHS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101865 455427125 /nfs/dbraw/zinc/42/71/25/455427125.db2.gz BCSZOGSUHNZNNE-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101865 455427131 /nfs/dbraw/zinc/42/71/31/455427131.db2.gz BCSZOGSUHNZNNE-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101865 455427136 /nfs/dbraw/zinc/42/71/36/455427136.db2.gz BCSZOGSUHNZNNE-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101865 455427141 /nfs/dbraw/zinc/42/71/41/455427141.db2.gz BCSZOGSUHNZNNE-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246311133 455468831 /nfs/dbraw/zinc/46/88/31/455468831.db2.gz ZJKHJKBWPRWJSD-MOPGFXCFSA-N 2 2 330.520 3.104 20 0 EGADLP CCC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246311133 455468838 /nfs/dbraw/zinc/46/88/38/455468838.db2.gz ZJKHJKBWPRWJSD-MOPGFXCFSA-N 2 2 330.520 3.104 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247083663 455556572 /nfs/dbraw/zinc/55/65/72/455556572.db2.gz NMAWQBSWRSQZIF-QZTJIDSGSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247083663 455556574 /nfs/dbraw/zinc/55/65/74/455556574.db2.gz NMAWQBSWRSQZIF-QZTJIDSGSA-N 2 2 329.488 3.272 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000247155624 455566928 /nfs/dbraw/zinc/56/69/28/455566928.db2.gz XIQXZAYVSMVZIP-YWTNHNAXSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000247155624 455566935 /nfs/dbraw/zinc/56/69/35/455566935.db2.gz XIQXZAYVSMVZIP-YWTNHNAXSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000247155624 455566939 /nfs/dbraw/zinc/56/69/39/455566939.db2.gz XIQXZAYVSMVZIP-YWTNHNAXSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000247155624 455566944 /nfs/dbraw/zinc/56/69/44/455566944.db2.gz XIQXZAYVSMVZIP-YWTNHNAXSA-N 3 2 335.561 3.278 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000247231190 455575809 /nfs/dbraw/zinc/57/58/09/455575809.db2.gz YHTCCWQYTNAXIV-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000247231190 455575812 /nfs/dbraw/zinc/57/58/12/455575812.db2.gz YHTCCWQYTNAXIV-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356174 455596064 /nfs/dbraw/zinc/59/60/64/455596064.db2.gz WCRVSYYOEVLSSK-OAQYLSRUSA-N 2 2 340.467 3.076 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356174 455596072 /nfs/dbraw/zinc/59/60/72/455596072.db2.gz WCRVSYYOEVLSSK-OAQYLSRUSA-N 2 2 340.467 3.076 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000247505941 455614155 /nfs/dbraw/zinc/61/41/55/455614155.db2.gz MSNQNVIHSPGMNJ-LMCOJAPRSA-N 2 2 346.540 3.466 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000247505941 455614160 /nfs/dbraw/zinc/61/41/60/455614160.db2.gz MSNQNVIHSPGMNJ-LMCOJAPRSA-N 2 2 346.540 3.466 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247503487 455614319 /nfs/dbraw/zinc/61/43/19/455614319.db2.gz LXUKWHAEBJNXLK-WSTZPKSXSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000247503487 455614327 /nfs/dbraw/zinc/61/43/27/455614327.db2.gz LXUKWHAEBJNXLK-WSTZPKSXSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000247503487 455614331 /nfs/dbraw/zinc/61/43/31/455614331.db2.gz LXUKWHAEBJNXLK-WSTZPKSXSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000247503487 455614337 /nfs/dbraw/zinc/61/43/37/455614337.db2.gz LXUKWHAEBJNXLK-WSTZPKSXSA-N 2 2 345.531 3.101 20 0 EGADLP COC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000192439657 455616325 /nfs/dbraw/zinc/61/63/25/455616325.db2.gz VOYADTQJRXVGQF-UHFFFAOYSA-N 2 2 348.462 3.112 20 0 EGADLP C[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044360 455627633 /nfs/dbraw/zinc/62/76/33/455627633.db2.gz JDNVHJKPLFHDGO-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044360 455627637 /nfs/dbraw/zinc/62/76/37/455627637.db2.gz JDNVHJKPLFHDGO-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044360 455627640 /nfs/dbraw/zinc/62/76/40/455627640.db2.gz JDNVHJKPLFHDGO-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044360 455627645 /nfs/dbraw/zinc/62/76/45/455627645.db2.gz JDNVHJKPLFHDGO-PKOBYXMFSA-N 2 2 334.529 3.105 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000271426009 455631654 /nfs/dbraw/zinc/63/16/54/455631654.db2.gz AGPPJHKAYKTGDK-QGZVFWFLSA-N 2 2 325.456 3.120 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000248033683 455673427 /nfs/dbraw/zinc/67/34/27/455673427.db2.gz RBJCYBAXUGKEPG-SJLPKXTDSA-N 2 2 342.487 3.134 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000248033683 455673432 /nfs/dbraw/zinc/67/34/32/455673432.db2.gz RBJCYBAXUGKEPG-SJLPKXTDSA-N 2 2 342.487 3.134 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000248034821 455673625 /nfs/dbraw/zinc/67/36/25/455673625.db2.gz RJJRQMKKLLXOKP-OXJNMPFZSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000248034821 455673629 /nfs/dbraw/zinc/67/36/29/455673629.db2.gz RJJRQMKKLLXOKP-OXJNMPFZSA-N 2 2 327.447 3.263 20 0 EGADLP CO[C@@H](C)c1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000268892971 455721109 /nfs/dbraw/zinc/72/11/09/455721109.db2.gz AKLXVMJKMLWGEW-ZDUSSCGKSA-N 2 2 332.473 3.004 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938758 455736864 /nfs/dbraw/zinc/73/68/64/455736864.db2.gz SDQXPWKAGPQSIX-DLBZAZTESA-N 2 2 343.437 3.382 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938758 455736871 /nfs/dbraw/zinc/73/68/71/455736871.db2.gz SDQXPWKAGPQSIX-DLBZAZTESA-N 2 2 343.437 3.382 20 0 EGADLP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000249803877 455776308 /nfs/dbraw/zinc/77/63/08/455776308.db2.gz AXJQOQOZABBCFT-CABCVRRESA-N 2 2 329.448 3.391 20 0 EGADLP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000249803877 455776315 /nfs/dbraw/zinc/77/63/15/455776315.db2.gz AXJQOQOZABBCFT-CABCVRRESA-N 2 2 329.448 3.391 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000271971361 455809086 /nfs/dbraw/zinc/80/90/86/455809086.db2.gz NGAPCBQNGLKZKO-DLBZAZTESA-N 2 2 339.483 3.450 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000278334546 455821516 /nfs/dbraw/zinc/82/15/16/455821516.db2.gz WSGFJYOSYHPQAV-LBPRGKRZSA-N 2 2 327.384 3.226 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000285492970 455856795 /nfs/dbraw/zinc/85/67/95/455856795.db2.gz MDRCKFNFPZXGOE-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000285492970 455856801 /nfs/dbraw/zinc/85/68/01/455856801.db2.gz MDRCKFNFPZXGOE-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000285492970 455856804 /nfs/dbraw/zinc/85/68/04/455856804.db2.gz MDRCKFNFPZXGOE-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000285492970 455856806 /nfs/dbraw/zinc/85/68/06/455856806.db2.gz MDRCKFNFPZXGOE-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C ZINC000285709809 455902005 /nfs/dbraw/zinc/90/20/05/455902005.db2.gz PIYNLVPGLNWVNY-OHSMVPPVSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1C ZINC000285709809 455902008 /nfs/dbraw/zinc/90/20/08/455902008.db2.gz PIYNLVPGLNWVNY-OHSMVPPVSA-N 2 2 343.515 3.038 20 0 EGADLP CCc1ccc([C@H](CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000194958064 455905101 /nfs/dbraw/zinc/90/51/01/455905101.db2.gz BYLBFIULTKQQNA-PMACEKPBSA-N 2 2 349.482 3.349 20 0 EGADLP CC(C)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000194981056 455909516 /nfs/dbraw/zinc/90/95/16/455909516.db2.gz APOQGCQNDODMIW-RTBURBONSA-N 2 2 341.503 3.240 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261667503 455923767 /nfs/dbraw/zinc/92/37/67/455923767.db2.gz LIJLHIPJESZTJS-KZNAEPCWSA-N 3 2 326.488 3.245 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000285906192 455939673 /nfs/dbraw/zinc/93/96/73/455939673.db2.gz CXVWQERVCGOBSD-QUCCMNQESA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000285906192 455939679 /nfs/dbraw/zinc/93/96/79/455939679.db2.gz CXVWQERVCGOBSD-QUCCMNQESA-N 2 2 325.456 3.058 20 0 EGADLP CC(C)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187746881 455946570 /nfs/dbraw/zinc/94/65/70/455946570.db2.gz HNSUPDXRZJYHGR-MSOLQXFVSA-N 2 2 330.451 3.348 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272494866 455970538 /nfs/dbraw/zinc/97/05/38/455970538.db2.gz CTJYIIDAWDCUFC-INIZCTEOSA-N 2 2 330.394 3.035 20 0 EGADLP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](CCc2ccccc2)C(F)F)CC1 ZINC000272603464 456009781 /nfs/dbraw/zinc/00/97/81/456009781.db2.gz YCSFJIWLKRVAFZ-KRWDZBQOSA-N 2 2 340.458 3.078 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670379 456033266 /nfs/dbraw/zinc/03/32/66/456033266.db2.gz SVQFTKIPRNROQR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670379 456033272 /nfs/dbraw/zinc/03/32/72/456033272.db2.gz SVQFTKIPRNROQR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670379 456033278 /nfs/dbraw/zinc/03/32/78/456033278.db2.gz SVQFTKIPRNROQR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670379 456033282 /nfs/dbraw/zinc/03/32/82/456033282.db2.gz SVQFTKIPRNROQR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262579693 456044890 /nfs/dbraw/zinc/04/48/90/456044890.db2.gz IJAOJKAIBVNCLJ-SFHVURJKSA-N 2 2 327.428 3.319 20 0 EGADLP CC[C@H](C)[N@H+](CCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000270901828 456062975 /nfs/dbraw/zinc/06/29/75/456062975.db2.gz RHEADEWCCFWPEF-AWEZNQCLSA-N 2 2 339.443 3.141 20 0 EGADLP CC[C@H](C)[N@@H+](CCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000270901828 456062985 /nfs/dbraw/zinc/06/29/85/456062985.db2.gz RHEADEWCCFWPEF-AWEZNQCLSA-N 2 2 339.443 3.141 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000270918041 456066680 /nfs/dbraw/zinc/06/66/80/456066680.db2.gz UQBAJDJAWRTSCJ-UHFFFAOYSA-N 2 2 338.377 3.033 20 0 EGADLP CCc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]cn3)CC2)cs1 ZINC000301277579 456079699 /nfs/dbraw/zinc/07/96/99/456079699.db2.gz SFPZBIVCURFDIC-UHFFFAOYSA-N 2 2 331.489 3.128 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280131 456170253 /nfs/dbraw/zinc/17/02/53/456170253.db2.gz LHEUBMSPXSENEC-KEYYUXOJSA-N 3 2 332.879 3.344 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280131 456170257 /nfs/dbraw/zinc/17/02/57/456170257.db2.gz LHEUBMSPXSENEC-KEYYUXOJSA-N 3 2 332.879 3.344 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000271278084 456202384 /nfs/dbraw/zinc/20/23/84/456202384.db2.gz LKCOQBQKQUHAIZ-KBXCAEBGSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000271278084 456202389 /nfs/dbraw/zinc/20/23/89/456202389.db2.gz LKCOQBQKQUHAIZ-KBXCAEBGSA-N 2 2 344.890 3.436 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000237022757 456220499 /nfs/dbraw/zinc/22/04/99/456220499.db2.gz TZCQVRMTQADLFQ-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000237022757 456220502 /nfs/dbraw/zinc/22/05/02/456220502.db2.gz TZCQVRMTQADLFQ-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP CCc1cc(N2CC[NH+]([C@H]3CCCN(C)C3)CC2)c2ccccc2[nH+]1 ZINC000301811346 456220650 /nfs/dbraw/zinc/22/06/50/456220650.db2.gz XOFUOWFQCXKFGS-SFHVURJKSA-N 2 2 338.499 3.013 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000237084294 456228986 /nfs/dbraw/zinc/22/89/86/456228986.db2.gz LCOAYLLNIJOVLJ-GOSISDBHSA-N 2 2 326.488 3.354 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000237084294 456228992 /nfs/dbraw/zinc/22/89/92/456228992.db2.gz LCOAYLLNIJOVLJ-GOSISDBHSA-N 2 2 326.488 3.354 20 0 EGADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000237117934 456234950 /nfs/dbraw/zinc/23/49/50/456234950.db2.gz RVMZCGKNHLMYIC-MRXNPFEDSA-N 2 2 346.500 3.087 20 0 EGADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000237117934 456234961 /nfs/dbraw/zinc/23/49/61/456234961.db2.gz RVMZCGKNHLMYIC-MRXNPFEDSA-N 2 2 346.500 3.087 20 0 EGADLP Nc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301895574 456244834 /nfs/dbraw/zinc/24/48/34/456244834.db2.gz UCSMABIOWXCWON-KRWDZBQOSA-N 2 2 347.466 3.189 20 0 EGADLP Nc1nc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301895574 456244840 /nfs/dbraw/zinc/24/48/40/456244840.db2.gz UCSMABIOWXCWON-KRWDZBQOSA-N 2 2 347.466 3.189 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1cc[nH+]c1 ZINC000189208230 456255463 /nfs/dbraw/zinc/25/54/63/456255463.db2.gz UTJKNIKCCOLVML-BEFAXECRSA-N 2 2 339.418 3.291 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1cc[nH+]c1 ZINC000189208230 456255468 /nfs/dbraw/zinc/25/54/68/456255468.db2.gz UTJKNIKCCOLVML-BEFAXECRSA-N 2 2 339.418 3.291 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620651649 460721594 /nfs/dbraw/zinc/72/15/94/460721594.db2.gz RQWYZGJTTHTBMQ-QGZVFWFLSA-N 2 2 334.423 3.103 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620651649 460721599 /nfs/dbraw/zinc/72/15/99/460721599.db2.gz RQWYZGJTTHTBMQ-QGZVFWFLSA-N 2 2 334.423 3.103 20 0 EGADLP CCc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nc(C)[nH+]1 ZINC000302061141 456277909 /nfs/dbraw/zinc/27/79/09/456277909.db2.gz SYDOJEZJANUDAY-HNNXBMFYSA-N 2 2 340.471 3.180 20 0 EGADLP CCc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nc(C)[nH+]1 ZINC000302061141 456277913 /nfs/dbraw/zinc/27/79/13/456277913.db2.gz SYDOJEZJANUDAY-HNNXBMFYSA-N 2 2 340.471 3.180 20 0 EGADLP CO[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352773090 456293548 /nfs/dbraw/zinc/29/35/48/456293548.db2.gz PXIVZHFEGXBPCN-HNNXBMFYSA-N 2 2 339.892 3.335 20 0 EGADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc2c(c1)OCCO2 ZINC000352774098 456295302 /nfs/dbraw/zinc/29/53/02/456295302.db2.gz VSIWPDOEMCYQOE-OAHLLOKOSA-N 2 2 347.484 3.217 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000290425111 456324766 /nfs/dbraw/zinc/32/47/66/456324766.db2.gz KYRHLAUFEKKTRX-UHFFFAOYSA-N 2 2 337.899 3.307 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000290425111 456324771 /nfs/dbraw/zinc/32/47/71/456324771.db2.gz KYRHLAUFEKKTRX-UHFFFAOYSA-N 2 2 337.899 3.307 20 0 EGADLP CC[C@H](Nc1cccc(C)[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302250373 456328917 /nfs/dbraw/zinc/32/89/17/456328917.db2.gz WJFYJHZPOXUKBJ-OALUTQOASA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@H](Nc1cccc(C)[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302250373 456328924 /nfs/dbraw/zinc/32/89/24/456328924.db2.gz WJFYJHZPOXUKBJ-OALUTQOASA-N 2 2 325.456 3.482 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352828293 456344004 /nfs/dbraw/zinc/34/40/04/456344004.db2.gz YDGNTIVWXFDUAN-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352828293 456344009 /nfs/dbraw/zinc/34/40/09/456344009.db2.gz YDGNTIVWXFDUAN-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000352828293 456344014 /nfs/dbraw/zinc/34/40/14/456344014.db2.gz YDGNTIVWXFDUAN-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000352828293 456344016 /nfs/dbraw/zinc/34/40/16/456344016.db2.gz YDGNTIVWXFDUAN-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP C[N@H+](Cc1cc[nH+]c(N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000298073512 456357486 /nfs/dbraw/zinc/35/74/86/456357486.db2.gz JRRNYHUSLBIRAN-GOEBONIOSA-N 2 2 338.238 3.061 20 0 EGADLP C[N@@H+](Cc1cc[nH+]c(N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000298073512 456357491 /nfs/dbraw/zinc/35/74/91/456357491.db2.gz JRRNYHUSLBIRAN-GOEBONIOSA-N 2 2 338.238 3.061 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c[nH+]1 ZINC000337559021 456380806 /nfs/dbraw/zinc/38/08/06/456380806.db2.gz YYVXADKHZPZLAK-GOSISDBHSA-N 2 2 339.483 3.474 20 0 EGADLP Cc1ccc(CCC[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)c[nH+]1 ZINC000337559021 456380807 /nfs/dbraw/zinc/38/08/07/456380807.db2.gz YYVXADKHZPZLAK-GOSISDBHSA-N 2 2 339.483 3.474 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302805946 456405905 /nfs/dbraw/zinc/40/59/05/456405905.db2.gz WXJPJCNZQDXGMH-INIZCTEOSA-N 2 2 349.548 3.096 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302805946 456405906 /nfs/dbraw/zinc/40/59/06/456405906.db2.gz WXJPJCNZQDXGMH-INIZCTEOSA-N 2 2 349.548 3.096 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302805946 456405908 /nfs/dbraw/zinc/40/59/08/456405908.db2.gz WXJPJCNZQDXGMH-INIZCTEOSA-N 2 2 349.548 3.096 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302805946 456405909 /nfs/dbraw/zinc/40/59/09/456405909.db2.gz WXJPJCNZQDXGMH-INIZCTEOSA-N 2 2 349.548 3.096 20 0 EGADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000347857986 456409455 /nfs/dbraw/zinc/40/94/55/456409455.db2.gz PNERUOBJSQOOBH-AWEZNQCLSA-N 2 2 336.530 3.479 20 0 EGADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ncc(C[NH+](C)C)s1)CCC2 ZINC000347857986 456409459 /nfs/dbraw/zinc/40/94/59/456409459.db2.gz PNERUOBJSQOOBH-AWEZNQCLSA-N 2 2 336.530 3.479 20 0 EGADLP C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000290736301 456417092 /nfs/dbraw/zinc/41/70/92/456417092.db2.gz PQUGAKFLUYWBNH-RDTXWAMCSA-N 2 2 337.427 3.147 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000347993996 456433435 /nfs/dbraw/zinc/43/34/35/456433435.db2.gz DDOIPALVVIPJAV-MSOLQXFVSA-N 2 2 334.410 3.150 20 0 EGADLP CSC1(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000348035252 456441299 /nfs/dbraw/zinc/44/12/99/456441299.db2.gz DGZLRULACMJOLN-MRXNPFEDSA-N 2 2 334.529 3.372 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000290841801 456444420 /nfs/dbraw/zinc/44/44/20/456444420.db2.gz YPKJZYLFGCECBB-HNNXBMFYSA-N 2 2 341.415 3.132 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000340425696 456453739 /nfs/dbraw/zinc/45/37/39/456453739.db2.gz NNXMTVXGIAOSHC-ZDUSSCGKSA-N 2 2 349.360 3.266 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348090811 456470677 /nfs/dbraw/zinc/47/06/77/456470677.db2.gz WTCAUGBCMSCCAU-KRWDZBQOSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000348090811 456470684 /nfs/dbraw/zinc/47/06/84/456470684.db2.gz WTCAUGBCMSCCAU-KRWDZBQOSA-N 2 2 335.455 3.050 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H](C)C1 ZINC000340490832 456489080 /nfs/dbraw/zinc/48/90/80/456489080.db2.gz SGJXMUXUCODYBI-FZKQIMNGSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H](C)C1 ZINC000340490832 456489086 /nfs/dbraw/zinc/48/90/86/456489086.db2.gz SGJXMUXUCODYBI-FZKQIMNGSA-N 2 2 344.421 3.331 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H]1SC ZINC000298557654 456489682 /nfs/dbraw/zinc/48/96/82/456489682.db2.gz VOJALWTVHUHOBW-NXHRZFHOSA-N 2 2 333.501 3.233 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCc2sccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000340513470 456502445 /nfs/dbraw/zinc/50/24/45/456502445.db2.gz RQDMMICDYKBDRN-MJGOQNOKSA-N 2 2 342.508 3.134 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCc2sccc21)C[N@H+]1CCc2ccccc2C1 ZINC000340513470 456502453 /nfs/dbraw/zinc/50/24/53/456502453.db2.gz RQDMMICDYKBDRN-MJGOQNOKSA-N 2 2 342.508 3.134 20 0 EGADLP C[C@@H](O)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000291107452 456530757 /nfs/dbraw/zinc/53/07/57/456530757.db2.gz KCOXTXQZELEWME-CYBMUJFWSA-N 2 2 330.394 3.246 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCCC1 ZINC000340582226 456546221 /nfs/dbraw/zinc/54/62/21/456546221.db2.gz FGWNPRHOYQIJNT-GUYCJALGSA-N 2 2 343.298 3.417 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000291172142 456554303 /nfs/dbraw/zinc/55/43/03/456554303.db2.gz JYGZWBZOUUDOGJ-CYBMUJFWSA-N 2 2 349.429 3.068 20 0 EGADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000282573162 456556862 /nfs/dbraw/zinc/55/68/62/456556862.db2.gz ZTUUWAACQGBHEO-HNNXBMFYSA-N 2 2 329.444 3.201 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298893837 456563855 /nfs/dbraw/zinc/56/38/55/456563855.db2.gz LOSSFEXXXVIREO-OLZOCXBDSA-N 2 2 346.500 3.140 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298893837 456563859 /nfs/dbraw/zinc/56/38/59/456563859.db2.gz LOSSFEXXXVIREO-OLZOCXBDSA-N 2 2 346.500 3.140 20 0 EGADLP Cn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccccc2Cl)n1 ZINC000353223793 456571992 /nfs/dbraw/zinc/57/19/92/456571992.db2.gz UJDNRRIZZOKFTC-ZDUSSCGKSA-N 2 2 341.846 3.111 20 0 EGADLP Cn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccccc2Cl)n1 ZINC000353223793 456571995 /nfs/dbraw/zinc/57/19/95/456571995.db2.gz UJDNRRIZZOKFTC-ZDUSSCGKSA-N 2 2 341.846 3.111 20 0 EGADLP O=C(NCCC[NH+]1CCCC1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337901192 456592505 /nfs/dbraw/zinc/59/25/05/456592505.db2.gz QHSXOVMGRUOCCZ-UHFFFAOYSA-N 2 2 325.412 3.090 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299048832 456593497 /nfs/dbraw/zinc/59/34/97/456593497.db2.gz PBKXZNGBGPMFSS-UHFFFAOYSA-N 2 2 338.377 3.033 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037918 456612540 /nfs/dbraw/zinc/61/25/40/456612540.db2.gz HXRYBGXQCCZHLT-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037918 456612546 /nfs/dbraw/zinc/61/25/46/456612546.db2.gz HXRYBGXQCCZHLT-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037918 456612548 /nfs/dbraw/zinc/61/25/48/456612548.db2.gz HXRYBGXQCCZHLT-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037918 456612552 /nfs/dbraw/zinc/61/25/52/456612552.db2.gz HXRYBGXQCCZHLT-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340675394 456614986 /nfs/dbraw/zinc/61/49/86/456614986.db2.gz GKHGIJLXVDHMJZ-UHFFFAOYSA-N 2 2 343.390 3.369 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000299143150 456619620 /nfs/dbraw/zinc/61/96/20/456619620.db2.gz AMNPMDQDGCEQQW-KDOFPFPSSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000299143150 456619623 /nfs/dbraw/zinc/61/96/23/456619623.db2.gz AMNPMDQDGCEQQW-KDOFPFPSSA-N 2 2 346.421 3.035 20 0 EGADLP c1nn2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282859585 456648281 /nfs/dbraw/zinc/64/82/81/456648281.db2.gz XBUHMYUDHMOGKT-INIZCTEOSA-N 2 2 335.455 3.247 20 0 EGADLP c1nn2ccccc2c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282859585 456648287 /nfs/dbraw/zinc/64/82/87/456648287.db2.gz XBUHMYUDHMOGKT-INIZCTEOSA-N 2 2 335.455 3.247 20 0 EGADLP C[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C1CC[NH+](CCO)CC1 ZINC000353365540 456649729 /nfs/dbraw/zinc/64/97/29/456649729.db2.gz RFWUHWHBIXVVHW-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[N@@H+](Cc1ccc(-c2cccc(F)c2)s1)C1CC[NH+](CCO)CC1 ZINC000353365540 456649738 /nfs/dbraw/zinc/64/97/38/456649738.db2.gz RFWUHWHBIXVVHW-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP COC1(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCOCC1 ZINC000277027884 456658613 /nfs/dbraw/zinc/65/86/13/456658613.db2.gz NQYCCFCEUZETTM-HXUWFJFHSA-N 2 2 346.515 3.245 20 0 EGADLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176814 456686381 /nfs/dbraw/zinc/68/63/81/456686381.db2.gz FXFJNNVXDSIVNK-OAHLLOKOSA-N 2 2 327.428 3.334 20 0 EGADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176814 456686388 /nfs/dbraw/zinc/68/63/88/456686388.db2.gz FXFJNNVXDSIVNK-OAHLLOKOSA-N 2 2 327.428 3.334 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)[C@@H](C)C[N@@H+]1C ZINC000338176508 456686579 /nfs/dbraw/zinc/68/65/79/456686579.db2.gz TVWHNFALVAFHJV-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)[C@@H](C)C[N@H+]1C ZINC000338176508 456686586 /nfs/dbraw/zinc/68/65/86/456686586.db2.gz TVWHNFALVAFHJV-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP CC[N@@H+]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338176996 456686740 /nfs/dbraw/zinc/68/67/40/456686740.db2.gz IMHRJOCBXQIUBN-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP CC[N@H+]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338176996 456686747 /nfs/dbraw/zinc/68/67/47/456686747.db2.gz IMHRJOCBXQIUBN-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP Cc1cc(Cl)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000353520667 456731016 /nfs/dbraw/zinc/73/10/16/456731016.db2.gz OMRQIBRTNOUWSA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000353520667 456731017 /nfs/dbraw/zinc/73/10/17/456731017.db2.gz OMRQIBRTNOUWSA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000353520667 456731020 /nfs/dbraw/zinc/73/10/20/456731020.db2.gz OMRQIBRTNOUWSA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000353520667 456731026 /nfs/dbraw/zinc/73/10/26/456731026.db2.gz OMRQIBRTNOUWSA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000353539407 456743584 /nfs/dbraw/zinc/74/35/84/456743584.db2.gz XIZAUAXGZXKUDF-HZPDHXFCSA-N 2 2 332.488 3.143 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000353539407 456743590 /nfs/dbraw/zinc/74/35/90/456743590.db2.gz XIZAUAXGZXKUDF-HZPDHXFCSA-N 2 2 332.488 3.143 20 0 EGADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000277249914 456744266 /nfs/dbraw/zinc/74/42/66/456744266.db2.gz NVYPWSJQCGMEKE-UONOGXRCSA-N 2 2 328.464 3.033 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277281002 456757304 /nfs/dbraw/zinc/75/73/04/456757304.db2.gz SJNMVDLHMXXGTH-UYAOXDASSA-N 2 2 349.494 3.055 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277281002 456757307 /nfs/dbraw/zinc/75/73/07/456757307.db2.gz SJNMVDLHMXXGTH-UYAOXDASSA-N 2 2 349.494 3.055 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353559254 456760302 /nfs/dbraw/zinc/76/03/02/456760302.db2.gz ZZVJASXHRAOFRQ-KRWDZBQOSA-N 2 2 349.519 3.213 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353559254 456760310 /nfs/dbraw/zinc/76/03/10/456760310.db2.gz ZZVJASXHRAOFRQ-KRWDZBQOSA-N 2 2 349.519 3.213 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353559254 456760321 /nfs/dbraw/zinc/76/03/21/456760321.db2.gz ZZVJASXHRAOFRQ-KRWDZBQOSA-N 2 2 349.519 3.213 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727329 456769767 /nfs/dbraw/zinc/76/97/67/456769767.db2.gz STXWNPFGECFNKQ-GZHDQSLTSA-N 2 2 336.479 3.460 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727329 456769772 /nfs/dbraw/zinc/76/97/72/456769772.db2.gz STXWNPFGECFNKQ-GZHDQSLTSA-N 2 2 336.479 3.460 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277321737 456777630 /nfs/dbraw/zinc/77/76/30/456777630.db2.gz CDXCRYHGBLZTAT-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277321737 456777632 /nfs/dbraw/zinc/77/76/32/456777632.db2.gz CDXCRYHGBLZTAT-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccccc1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301064223 456787116 /nfs/dbraw/zinc/78/71/16/456787116.db2.gz IGDFNYXSVYQGHC-UHFFFAOYSA-N 2 2 340.471 3.239 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655662 456834981 /nfs/dbraw/zinc/83/49/81/456834981.db2.gz YNODMUNVWFHFIQ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655662 456834988 /nfs/dbraw/zinc/83/49/88/456834988.db2.gz YNODMUNVWFHFIQ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655662 456834992 /nfs/dbraw/zinc/83/49/92/456834992.db2.gz YNODMUNVWFHFIQ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000353655662 456834998 /nfs/dbraw/zinc/83/49/98/456834998.db2.gz YNODMUNVWFHFIQ-QGZVFWFLSA-N 2 2 342.462 3.175 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749704 456888365 /nfs/dbraw/zinc/88/83/65/456888365.db2.gz GHLRHJISXHARGL-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749704 456888371 /nfs/dbraw/zinc/88/83/71/456888371.db2.gz GHLRHJISXHARGL-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749704 456888375 /nfs/dbraw/zinc/88/83/75/456888375.db2.gz GHLRHJISXHARGL-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749704 456888379 /nfs/dbraw/zinc/88/83/79/456888379.db2.gz GHLRHJISXHARGL-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000339007100 456896293 /nfs/dbraw/zinc/89/62/93/456896293.db2.gz JHPGPKJYGLZAGF-KSZLIROESA-N 2 2 335.536 3.115 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c(C(C)C)nc2s1 ZINC000353777490 456902123 /nfs/dbraw/zinc/90/21/23/456902123.db2.gz AXHXMFXWFRLPAS-OAHLLOKOSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c(C(C)C)nc2s1 ZINC000353777490 456902126 /nfs/dbraw/zinc/90/21/26/456902126.db2.gz AXHXMFXWFRLPAS-OAHLLOKOSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1cc(NCc2ccc(N3CCCCC3)[nH+]c2)nc(C(C)C)[nH+]1 ZINC000339031895 456907248 /nfs/dbraw/zinc/90/72/48/456907248.db2.gz VNQBOYOSKLLQCZ-UHFFFAOYSA-N 2 2 325.460 3.328 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861378 456939854 /nfs/dbraw/zinc/93/98/54/456939854.db2.gz ARCYLUOXESRACV-QFBILLFUSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861378 456939856 /nfs/dbraw/zinc/93/98/56/456939856.db2.gz ARCYLUOXESRACV-QFBILLFUSA-N 2 2 325.456 3.090 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349340993 456946852 /nfs/dbraw/zinc/94/68/52/456946852.db2.gz AJZRQPPFQXTLNA-UHFFFAOYSA-N 3 2 347.532 3.094 20 0 EGADLP Cc1c[nH+]c(CN(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1C ZINC000349412972 456965310 /nfs/dbraw/zinc/96/53/10/456965310.db2.gz ZLIWBAQJQOABCN-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330087975 456982901 /nfs/dbraw/zinc/98/29/01/456982901.db2.gz UHNZFPZMHDKFMZ-WBVHZDCISA-N 2 2 330.476 3.118 20 0 EGADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330087975 456982905 /nfs/dbraw/zinc/98/29/05/456982905.db2.gz UHNZFPZMHDKFMZ-WBVHZDCISA-N 2 2 330.476 3.118 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886345 456987390 /nfs/dbraw/zinc/98/73/90/456987390.db2.gz WBZCHTASWNXJSS-CQSZACIVSA-N 2 2 327.394 3.264 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886345 456987391 /nfs/dbraw/zinc/98/73/91/456987391.db2.gz WBZCHTASWNXJSS-CQSZACIVSA-N 2 2 327.394 3.264 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886345 456987394 /nfs/dbraw/zinc/98/73/94/456987394.db2.gz WBZCHTASWNXJSS-CQSZACIVSA-N 2 2 327.394 3.264 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886345 456987395 /nfs/dbraw/zinc/98/73/95/456987395.db2.gz WBZCHTASWNXJSS-CQSZACIVSA-N 2 2 327.394 3.264 20 0 EGADLP Cc1[nH+]cc(CN2CC[NH+](Cc3ccco3)CC2)n1-c1ccccc1 ZINC000349643415 457003760 /nfs/dbraw/zinc/00/37/60/457003760.db2.gz XWYJOSAYHOVIEB-UHFFFAOYSA-N 2 2 336.439 3.092 20 0 EGADLP CC1CC[NH+]([C@H](CNc2[nH+]cnc3[nH]ccc32)c2cccs2)CC1 ZINC000339240431 457010853 /nfs/dbraw/zinc/01/08/53/457010853.db2.gz AVJFXVRXTRZEQU-OAHLLOKOSA-N 2 2 341.484 3.326 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000354019116 457013869 /nfs/dbraw/zinc/01/38/69/457013869.db2.gz ULGPKMGENZYCHN-UVBJJODRSA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000354019116 457013874 /nfs/dbraw/zinc/01/38/74/457013874.db2.gz ULGPKMGENZYCHN-UVBJJODRSA-N 2 2 331.287 3.347 20 0 EGADLP CC1CCC(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000358889222 457025085 /nfs/dbraw/zinc/02/50/85/457025085.db2.gz NZAFHCBZAMMNBU-UHFFFAOYSA-N 2 2 349.563 3.269 20 0 EGADLP Cn1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccc(Cl)cc21 ZINC000354043624 457030262 /nfs/dbraw/zinc/03/02/62/457030262.db2.gz ANQNATJEIFKIPZ-OAHLLOKOSA-N 2 2 342.830 3.275 20 0 EGADLP Cn1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccc(Cl)cc21 ZINC000354043624 457030266 /nfs/dbraw/zinc/03/02/66/457030266.db2.gz ANQNATJEIFKIPZ-OAHLLOKOSA-N 2 2 342.830 3.275 20 0 EGADLP CC[C@@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)[N@H+]1CCc2ccccc2C1 ZINC000358911940 457034809 /nfs/dbraw/zinc/03/48/09/457034809.db2.gz DSWHDJORVMBUOT-AZUAARDMSA-N 2 2 338.499 3.224 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000354077840 457047856 /nfs/dbraw/zinc/04/78/56/457047856.db2.gz JHVLXAPREIPUNG-INIZCTEOSA-N 2 2 325.522 3.199 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000354077840 457047858 /nfs/dbraw/zinc/04/78/58/457047858.db2.gz JHVLXAPREIPUNG-INIZCTEOSA-N 2 2 325.522 3.199 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000339429593 457113310 /nfs/dbraw/zinc/11/33/10/457113310.db2.gz XFJHGAZLKADLHL-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000339429593 457113315 /nfs/dbraw/zinc/11/33/15/457113315.db2.gz XFJHGAZLKADLHL-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3sccc3Br)C2)C1 ZINC000339429593 457113322 /nfs/dbraw/zinc/11/33/22/457113322.db2.gz XFJHGAZLKADLHL-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000339429593 457113327 /nfs/dbraw/zinc/11/33/27/457113327.db2.gz XFJHGAZLKADLHL-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346692002 457114532 /nfs/dbraw/zinc/11/45/32/457114532.db2.gz XICZBLIJCIYEOS-UHFFFAOYSA-N 2 2 347.286 3.332 20 0 EGADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1nnc2n1CCCCC2 ZINC000354188324 457118861 /nfs/dbraw/zinc/11/88/61/457118861.db2.gz JHKKDYRCMSMXRX-QGZVFWFLSA-N 2 2 327.476 3.381 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]21 ZINC000342127150 457123045 /nfs/dbraw/zinc/12/30/45/457123045.db2.gz LUTLUPSTFNEKTF-NZSAHSFTSA-N 2 2 341.524 3.488 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]21 ZINC000342127150 457123051 /nfs/dbraw/zinc/12/30/51/457123051.db2.gz LUTLUPSTFNEKTF-NZSAHSFTSA-N 2 2 341.524 3.488 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)C2 ZINC000356708401 457126543 /nfs/dbraw/zinc/12/65/43/457126543.db2.gz XCAKUKCWNWHPHP-MRXNPFEDSA-N 2 2 348.535 3.215 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC2 ZINC000356708401 457126549 /nfs/dbraw/zinc/12/65/49/457126549.db2.gz XCAKUKCWNWHPHP-MRXNPFEDSA-N 2 2 348.535 3.215 20 0 EGADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000359910358 457143665 /nfs/dbraw/zinc/14/36/65/457143665.db2.gz JGGDWJFNKLYOHF-LBPRGKRZSA-N 2 2 349.219 3.220 20 0 EGADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000359910358 457143669 /nfs/dbraw/zinc/14/36/69/457143669.db2.gz JGGDWJFNKLYOHF-LBPRGKRZSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350049224 457154995 /nfs/dbraw/zinc/15/49/95/457154995.db2.gz KJACOQZTXCXNIL-UHFFFAOYSA-N 2 2 342.487 3.160 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000362919534 457155233 /nfs/dbraw/zinc/15/52/33/457155233.db2.gz VPTRKDMBCVKSQX-KSSFIOAISA-N 2 2 328.391 3.050 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000339586933 457156620 /nfs/dbraw/zinc/15/66/20/457156620.db2.gz NYILKISAAROEMQ-CVEARBPZSA-N 2 2 325.859 3.072 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798627 457176292 /nfs/dbraw/zinc/17/62/92/457176292.db2.gz PWPMIGHQJSTDQO-IYOUNJFTSA-N 2 2 330.476 3.104 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798627 457176299 /nfs/dbraw/zinc/17/62/99/457176299.db2.gz PWPMIGHQJSTDQO-IYOUNJFTSA-N 2 2 330.476 3.104 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)CC3 ZINC000346808343 457177928 /nfs/dbraw/zinc/17/79/28/457177928.db2.gz NQYTXADSRLNQGP-LBTNJELSSA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)CC3 ZINC000346808343 457177935 /nfs/dbraw/zinc/17/79/35/457177935.db2.gz NQYTXADSRLNQGP-LBTNJELSSA-N 2 2 327.472 3.106 20 0 EGADLP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000356871754 457189017 /nfs/dbraw/zinc/18/90/17/457189017.db2.gz OYAHXQKWYDZECF-UHFFFAOYSA-N 3 2 343.437 3.255 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)CC1 ZINC000347040063 457198599 /nfs/dbraw/zinc/19/85/99/457198599.db2.gz KDPQQRCAARKJOH-UHFFFAOYSA-N 2 2 326.488 3.040 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)OC(C)C ZINC000339661729 457198750 /nfs/dbraw/zinc/19/87/50/457198750.db2.gz XGHYOPVVLAINMP-MRXNPFEDSA-N 2 2 329.444 3.151 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)OC(C)C ZINC000339661729 457198754 /nfs/dbraw/zinc/19/87/54/457198754.db2.gz XGHYOPVVLAINMP-MRXNPFEDSA-N 2 2 329.444 3.151 20 0 EGADLP Cc1ccn2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cnc2c1 ZINC000342312884 457230974 /nfs/dbraw/zinc/23/09/74/457230974.db2.gz MJWMUGPGKOLOMQ-YLJYHZDGSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1ccn2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cnc2c1 ZINC000342312884 457230979 /nfs/dbraw/zinc/23/09/79/457230979.db2.gz MJWMUGPGKOLOMQ-YLJYHZDGSA-N 2 2 334.467 3.395 20 0 EGADLP FC1(F)Oc2ccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2O1 ZINC000347126291 457242594 /nfs/dbraw/zinc/24/25/94/457242594.db2.gz SBLZDNWVYVJRMS-AWEZNQCLSA-N 2 2 334.322 3.056 20 0 EGADLP FC1(F)Oc2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cc2O1 ZINC000347126291 457242600 /nfs/dbraw/zinc/24/26/00/457242600.db2.gz SBLZDNWVYVJRMS-AWEZNQCLSA-N 2 2 334.322 3.056 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC000360079283 457244196 /nfs/dbraw/zinc/24/41/96/457244196.db2.gz MXGNLXHYBBYQER-HUUCEWRRSA-N 2 2 329.444 3.437 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C[C@@H]1C ZINC000331760101 457246151 /nfs/dbraw/zinc/24/61/51/457246151.db2.gz AVDVSRVPKKYGPT-PQEBFOHHSA-N 2 2 333.476 3.026 20 0 EGADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000331790537 457251667 /nfs/dbraw/zinc/25/16/67/457251667.db2.gz KCBOGQKNHZVNNL-GJZGRUSLSA-N 2 2 340.427 3.430 20 0 EGADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000331790537 457251675 /nfs/dbraw/zinc/25/16/75/457251675.db2.gz KCBOGQKNHZVNNL-GJZGRUSLSA-N 2 2 340.427 3.430 20 0 EGADLP CCCN(CC[NH+](C)C)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354539499 457278395 /nfs/dbraw/zinc/27/83/95/457278395.db2.gz NEZVDDYXRIOXSN-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000360167445 457285916 /nfs/dbraw/zinc/28/59/16/457285916.db2.gz YCEIZWCNKTXXCB-SJORKVTESA-N 2 2 341.503 3.348 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000339832180 457298862 /nfs/dbraw/zinc/29/88/62/457298862.db2.gz ZKIWEDWCQFLZRG-UHFFFAOYSA-N 2 2 343.446 3.246 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347229742 457300061 /nfs/dbraw/zinc/30/00/61/457300061.db2.gz XQGBILJJNGXNIR-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347229742 457300065 /nfs/dbraw/zinc/30/00/65/457300065.db2.gz XQGBILJJNGXNIR-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000360429093 457308807 /nfs/dbraw/zinc/30/88/07/457308807.db2.gz QOXYYIKMSVXMSN-SJORKVTESA-N 2 2 341.503 3.267 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848092 457308973 /nfs/dbraw/zinc/30/89/73/457308973.db2.gz SECAQLOWMIGPTQ-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848092 457308978 /nfs/dbraw/zinc/30/89/78/457308978.db2.gz SECAQLOWMIGPTQ-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000339848092 457308984 /nfs/dbraw/zinc/30/89/84/457308984.db2.gz SECAQLOWMIGPTQ-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000339848092 457308987 /nfs/dbraw/zinc/30/89/87/457308987.db2.gz SECAQLOWMIGPTQ-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116052 457338193 /nfs/dbraw/zinc/33/81/93/457338193.db2.gz RLBSDLZRFFOZGJ-KRWDZBQOSA-N 2 2 340.870 3.146 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116052 457338201 /nfs/dbraw/zinc/33/82/01/457338201.db2.gz RLBSDLZRFFOZGJ-KRWDZBQOSA-N 2 2 340.870 3.146 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116052 457338209 /nfs/dbraw/zinc/33/82/09/457338209.db2.gz RLBSDLZRFFOZGJ-KRWDZBQOSA-N 2 2 340.870 3.146 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116052 457338213 /nfs/dbraw/zinc/33/82/13/457338213.db2.gz RLBSDLZRFFOZGJ-KRWDZBQOSA-N 2 2 340.870 3.146 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357132875 457338858 /nfs/dbraw/zinc/33/88/58/457338858.db2.gz NSERDMXYARAADO-WCQYABFASA-N 2 2 341.318 3.212 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357132875 457338860 /nfs/dbraw/zinc/33/88/60/457338860.db2.gz NSERDMXYARAADO-WCQYABFASA-N 2 2 341.318 3.212 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000360944729 457451529 /nfs/dbraw/zinc/45/15/29/457451529.db2.gz AHCMFOZGLQVOIY-LJQANCHMSA-N 3 2 338.499 3.253 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cscc1C(F)(F)F ZINC000356112753 457457407 /nfs/dbraw/zinc/45/74/07/457457407.db2.gz PFAUBXONJKDVHF-VHDGCEQUSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cscc1C(F)(F)F ZINC000356112753 457457413 /nfs/dbraw/zinc/45/74/13/457457413.db2.gz PFAUBXONJKDVHF-VHDGCEQUSA-N 2 2 348.434 3.450 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cn1 ZINC000352555706 457464222 /nfs/dbraw/zinc/46/42/22/457464222.db2.gz QGCLIYBKALKLTO-LJQANCHMSA-N 2 2 343.446 3.294 20 0 EGADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1)O[C@@H](C)C2 ZINC000393542667 457465910 /nfs/dbraw/zinc/46/59/10/457465910.db2.gz NGOAXKBAWKVGRO-AWEZNQCLSA-N 2 2 332.488 3.371 20 0 EGADLP CSc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000357361823 457472965 /nfs/dbraw/zinc/47/29/65/457472965.db2.gz YXDQYZXLWFLCEX-QAPCUYQASA-N 2 2 327.497 3.414 20 0 EGADLP CSc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000357361823 457472969 /nfs/dbraw/zinc/47/29/69/457472969.db2.gz YXDQYZXLWFLCEX-QAPCUYQASA-N 2 2 327.497 3.414 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000360968457 457475146 /nfs/dbraw/zinc/47/51/46/457475146.db2.gz KFBFEMDMJPBLIE-XUVXKRRUSA-N 2 2 345.531 3.306 20 0 EGADLP CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000347512427 457476078 /nfs/dbraw/zinc/47/60/78/457476078.db2.gz GJKHKJXGQJQTNW-UHFFFAOYSA-N 2 2 348.450 3.314 20 0 EGADLP CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000347512427 457476083 /nfs/dbraw/zinc/47/60/83/457476083.db2.gz GJKHKJXGQJQTNW-UHFFFAOYSA-N 2 2 348.450 3.314 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005820 457494384 /nfs/dbraw/zinc/49/43/84/457494384.db2.gz QHPANQRXEAPWLR-OCCSQVGLSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005820 457494390 /nfs/dbraw/zinc/49/43/90/457494390.db2.gz QHPANQRXEAPWLR-OCCSQVGLSA-N 2 2 331.851 3.035 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2csc(C)n2)[C@H](C)C1 ZINC000361005712 457505649 /nfs/dbraw/zinc/50/56/49/457505649.db2.gz WRLIBUWGBNRLAY-YCPHGPKFSA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2csc(C)n2)[C@H](C)C1 ZINC000361005712 457505656 /nfs/dbraw/zinc/50/56/56/457505656.db2.gz WRLIBUWGBNRLAY-YCPHGPKFSA-N 2 2 325.522 3.239 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000370040673 457513722 /nfs/dbraw/zinc/51/37/22/457513722.db2.gz LVOXKLRGSXJALG-CQSZACIVSA-N 2 2 342.487 3.285 20 0 EGADLP Cc1nc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc[nH+]1 ZINC000361022266 457518513 /nfs/dbraw/zinc/51/85/13/457518513.db2.gz KGSFDMJDBKIFJD-UHFFFAOYSA-N 2 2 330.863 3.184 20 0 EGADLP Cc1[nH+]ccn1CCCN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000347579614 457521589 /nfs/dbraw/zinc/52/15/89/457521589.db2.gz JZTNOQPVFGQMQX-MSOLQXFVSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579614 457521598 /nfs/dbraw/zinc/52/15/98/457521598.db2.gz JZTNOQPVFGQMQX-MSOLQXFVSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579614 457521606 /nfs/dbraw/zinc/52/16/06/457521606.db2.gz JZTNOQPVFGQMQX-MSOLQXFVSA-N 2 2 326.488 3.176 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361088371 457575584 /nfs/dbraw/zinc/57/55/84/457575584.db2.gz XXEFKKQWFGHERA-INIZCTEOSA-N 2 2 348.450 3.425 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181604 457632626 /nfs/dbraw/zinc/63/26/26/457632626.db2.gz ORRLJFZMURLECY-HUUCEWRRSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181604 457632632 /nfs/dbraw/zinc/63/26/32/457632632.db2.gz ORRLJFZMURLECY-HUUCEWRRSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181604 457632638 /nfs/dbraw/zinc/63/26/38/457632638.db2.gz ORRLJFZMURLECY-HUUCEWRRSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181604 457632642 /nfs/dbraw/zinc/63/26/42/457632642.db2.gz ORRLJFZMURLECY-HUUCEWRRSA-N 2 2 340.462 3.444 20 0 EGADLP C[N@H+](Cc1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931218 457654309 /nfs/dbraw/zinc/65/43/09/457654309.db2.gz KNUDOTQOAXQQQO-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[N@@H+](Cc1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931218 457654317 /nfs/dbraw/zinc/65/43/17/457654317.db2.gz KNUDOTQOAXQQQO-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1cccc(Cl)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425931218 457654320 /nfs/dbraw/zinc/65/43/20/457654320.db2.gz KNUDOTQOAXQQQO-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1cccc(Cl)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425931218 457654328 /nfs/dbraw/zinc/65/43/28/457654328.db2.gz KNUDOTQOAXQQQO-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361232258 457658467 /nfs/dbraw/zinc/65/84/67/457658467.db2.gz XWJFZFRNAUQUAY-MOPGFXCFSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361232258 457658472 /nfs/dbraw/zinc/65/84/72/457658472.db2.gz XWJFZFRNAUQUAY-MOPGFXCFSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000374577342 457664345 /nfs/dbraw/zinc/66/43/45/457664345.db2.gz RLCWLZWOHINJJT-UKRRQHHQSA-N 2 2 344.434 3.215 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000361290495 457680659 /nfs/dbraw/zinc/68/06/59/457680659.db2.gz SRFNPOZMBJRAAW-CYBMUJFWSA-N 2 2 341.846 3.495 20 0 EGADLP CSc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370724725 457707420 /nfs/dbraw/zinc/70/74/20/457707420.db2.gz MJLRCSQPOMLPQN-HNNXBMFYSA-N 2 2 331.485 3.400 20 0 EGADLP CSc1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370724725 457707423 /nfs/dbraw/zinc/70/74/23/457707423.db2.gz MJLRCSQPOMLPQN-HNNXBMFYSA-N 2 2 331.485 3.400 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3SC)CC2)c1 ZINC000358036093 457746553 /nfs/dbraw/zinc/74/65/53/457746553.db2.gz CQCDGYJDGOTJBF-UHFFFAOYSA-N 2 2 329.469 3.134 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433077821 457753069 /nfs/dbraw/zinc/75/30/69/457753069.db2.gz SVLKAZZDCHGUKC-OAQYLSRUSA-N 2 2 335.451 3.216 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433077821 457753075 /nfs/dbraw/zinc/75/30/75/457753075.db2.gz SVLKAZZDCHGUKC-OAQYLSRUSA-N 2 2 335.451 3.216 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)s2)cn1 ZINC000375023688 457760590 /nfs/dbraw/zinc/76/05/90/457760590.db2.gz NEIFFKBTIGVHNP-CYBMUJFWSA-N 2 2 327.457 3.251 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)s2)cn1 ZINC000375023688 457760592 /nfs/dbraw/zinc/76/05/92/457760592.db2.gz NEIFFKBTIGVHNP-CYBMUJFWSA-N 2 2 327.457 3.251 20 0 EGADLP Cc1nc2ccc(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cc2s1 ZINC000426404599 457822486 /nfs/dbraw/zinc/82/24/86/457822486.db2.gz IDBNPUUFXBVNJK-AWEZNQCLSA-N 2 2 345.512 3.290 20 0 EGADLP Cc1nc2ccc(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc2s1 ZINC000426404599 457822489 /nfs/dbraw/zinc/82/24/89/457822489.db2.gz IDBNPUUFXBVNJK-AWEZNQCLSA-N 2 2 345.512 3.290 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000361691694 457824894 /nfs/dbraw/zinc/82/48/94/457824894.db2.gz GFSGLSNCXYMRNZ-UHFFFAOYSA-N 2 2 336.439 3.092 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000444029741 457843946 /nfs/dbraw/zinc/84/39/46/457843946.db2.gz IOCKAWUTDMSTFD-UHFFFAOYSA-N 2 2 337.552 3.125 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000444029741 457843951 /nfs/dbraw/zinc/84/39/51/457843951.db2.gz IOCKAWUTDMSTFD-UHFFFAOYSA-N 2 2 337.552 3.125 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)nnn1-c1ccccc1 ZINC000358213244 457863353 /nfs/dbraw/zinc/86/33/53/457863353.db2.gz AYKJSLUQERSCEL-HNNXBMFYSA-N 2 2 346.438 3.117 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444218264 457869195 /nfs/dbraw/zinc/86/91/95/457869195.db2.gz XEGNBQXCCUHNNK-ROUUACIJSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000444218264 457869199 /nfs/dbraw/zinc/86/91/99/457869199.db2.gz XEGNBQXCCUHNNK-ROUUACIJSA-N 2 2 329.488 3.130 20 0 EGADLP Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411450457 457891148 /nfs/dbraw/zinc/89/11/48/457891148.db2.gz YPMKOXPHNSNSNA-LJQANCHMSA-N 2 2 339.487 3.138 20 0 EGADLP Cn1cnnc1[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411450457 457891155 /nfs/dbraw/zinc/89/11/55/457891155.db2.gz YPMKOXPHNSNSNA-LJQANCHMSA-N 2 2 339.487 3.138 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302242 457920122 /nfs/dbraw/zinc/92/01/22/457920122.db2.gz PYRMQXYVMICYGV-HOJAQTOUSA-N 2 2 344.499 3.140 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302242 457920130 /nfs/dbraw/zinc/92/01/30/457920130.db2.gz PYRMQXYVMICYGV-HOJAQTOUSA-N 2 2 344.499 3.140 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885351 457929919 /nfs/dbraw/zinc/92/99/19/457929919.db2.gz HYVXOBYVIZVJJR-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885351 457929924 /nfs/dbraw/zinc/92/99/24/457929924.db2.gz HYVXOBYVIZVJJR-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)o1 ZINC000434010096 457930595 /nfs/dbraw/zinc/93/05/95/457930595.db2.gz BCVGRBVYDYYMDE-OXJNMPFZSA-N 2 2 344.503 3.481 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)o1 ZINC000434010096 457930602 /nfs/dbraw/zinc/93/06/02/457930602.db2.gz BCVGRBVYDYYMDE-OXJNMPFZSA-N 2 2 344.503 3.481 20 0 EGADLP CCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)o1 ZINC000434010096 457930605 /nfs/dbraw/zinc/93/06/05/457930605.db2.gz BCVGRBVYDYYMDE-OXJNMPFZSA-N 2 2 344.503 3.481 20 0 EGADLP CCc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CC)[C@H]2c2cnn(C)c2)o1 ZINC000434010096 457930607 /nfs/dbraw/zinc/93/06/07/457930607.db2.gz BCVGRBVYDYYMDE-OXJNMPFZSA-N 2 2 344.503 3.481 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888970 457933319 /nfs/dbraw/zinc/93/33/19/457933319.db2.gz MVPQHDPDGUBFES-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888970 457933327 /nfs/dbraw/zinc/93/33/27/457933327.db2.gz MVPQHDPDGUBFES-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427108157 457945086 /nfs/dbraw/zinc/94/50/86/457945086.db2.gz BUEKEQVCVGPYFK-DNVCBOLYSA-N 2 2 344.890 3.326 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427108157 457945087 /nfs/dbraw/zinc/94/50/87/457945087.db2.gz BUEKEQVCVGPYFK-DNVCBOLYSA-N 2 2 344.890 3.326 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468808 457947949 /nfs/dbraw/zinc/94/79/49/457947949.db2.gz BJESEUPUMTXLOJ-KBRIMQKVSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468808 457947952 /nfs/dbraw/zinc/94/79/52/457947952.db2.gz BJESEUPUMTXLOJ-KBRIMQKVSA-N 2 2 326.843 3.163 20 0 EGADLP CCCCCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427136271 457948477 /nfs/dbraw/zinc/94/84/77/457948477.db2.gz MZJFOCDJEQBRCH-MSOLQXFVSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OC ZINC000427136271 457948480 /nfs/dbraw/zinc/94/84/80/457948480.db2.gz MZJFOCDJEQBRCH-MSOLQXFVSA-N 2 2 332.488 3.448 20 0 EGADLP CCn1c2cc(F)ccc2[nH+]c1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000358390002 457971377 /nfs/dbraw/zinc/97/13/77/457971377.db2.gz NFHDUGSYWPQUCM-UHFFFAOYSA-N 2 2 341.434 3.469 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000367745397 457978086 /nfs/dbraw/zinc/97/80/86/457978086.db2.gz FBYYORIYCYATIK-BFYDXBDKSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000367745397 457978093 /nfs/dbraw/zinc/97/80/93/457978093.db2.gz FBYYORIYCYATIK-BFYDXBDKSA-N 2 2 339.524 3.094 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000361970218 457985899 /nfs/dbraw/zinc/98/58/99/457985899.db2.gz MPRJGXHESOSFTJ-HNNXBMFYSA-N 2 2 342.443 3.017 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000361970218 457985905 /nfs/dbraw/zinc/98/59/05/457985905.db2.gz MPRJGXHESOSFTJ-HNNXBMFYSA-N 2 2 342.443 3.017 20 0 EGADLP Cn1cc([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)cn1 ZINC000371745819 458058700 /nfs/dbraw/zinc/05/87/00/458058700.db2.gz FQUYQZWIRNSVPL-NRFANRHFSA-N 2 2 343.434 3.485 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1OCc1ccccc1 ZINC000435370406 458121875 /nfs/dbraw/zinc/12/18/75/458121875.db2.gz IRFWOFMYEUCPCE-GOSISDBHSA-N 2 2 326.440 3.197 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1OCc1ccccc1 ZINC000435370406 458121881 /nfs/dbraw/zinc/12/18/81/458121881.db2.gz IRFWOFMYEUCPCE-GOSISDBHSA-N 2 2 326.440 3.197 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375897 458126266 /nfs/dbraw/zinc/12/62/66/458126266.db2.gz ORCJNOMMOOAZQT-DGCLKSJQSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375897 458126274 /nfs/dbraw/zinc/12/62/74/458126274.db2.gz ORCJNOMMOOAZQT-DGCLKSJQSA-N 2 2 349.276 3.008 20 0 EGADLP Oc1cc(F)cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435392491 458136436 /nfs/dbraw/zinc/13/64/36/458136436.db2.gz WRDXVPKCHDWNJM-SFHVURJKSA-N 2 2 329.419 3.071 20 0 EGADLP Oc1cc(F)cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435392491 458136440 /nfs/dbraw/zinc/13/64/40/458136440.db2.gz WRDXVPKCHDWNJM-SFHVURJKSA-N 2 2 329.419 3.071 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1cc(F)cc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000435424245 458143404 /nfs/dbraw/zinc/14/34/04/458143404.db2.gz YZOMBYAPBAJGNM-ZDUSSCGKSA-N 2 2 337.439 3.341 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1cc(F)cc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000435424245 458143414 /nfs/dbraw/zinc/14/34/14/458143414.db2.gz YZOMBYAPBAJGNM-ZDUSSCGKSA-N 2 2 337.439 3.341 20 0 EGADLP Cn1ccnc1C[N@H+](C/C=C/c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432730 458145165 /nfs/dbraw/zinc/14/51/65/458145165.db2.gz OMJGBHICIGJCEY-MEQKGCOVSA-N 2 2 336.483 3.078 20 0 EGADLP Cn1ccnc1C[N@@H+](C/C=C/c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432730 458145170 /nfs/dbraw/zinc/14/51/70/458145170.db2.gz OMJGBHICIGJCEY-MEQKGCOVSA-N 2 2 336.483 3.078 20 0 EGADLP CCc1nc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC000428451824 458146408 /nfs/dbraw/zinc/14/64/08/458146408.db2.gz GFQLCWXSZSWTJP-UHFFFAOYSA-N 2 2 343.475 3.089 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435434180 458146606 /nfs/dbraw/zinc/14/66/06/458146606.db2.gz RGINXESHAZQRGH-SFHVURJKSA-N 2 2 342.462 3.186 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435434180 458146609 /nfs/dbraw/zinc/14/66/09/458146609.db2.gz RGINXESHAZQRGH-SFHVURJKSA-N 2 2 342.462 3.186 20 0 EGADLP COc1ccccc1C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435436848 458146821 /nfs/dbraw/zinc/14/68/21/458146821.db2.gz HPTQJGYMIOPQPC-HNNXBMFYSA-N 2 2 331.485 3.072 20 0 EGADLP COc1ccccc1C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435436848 458146825 /nfs/dbraw/zinc/14/68/25/458146825.db2.gz HPTQJGYMIOPQPC-HNNXBMFYSA-N 2 2 331.485 3.072 20 0 EGADLP CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369295365 458162358 /nfs/dbraw/zinc/16/23/58/458162358.db2.gz VJTRBRYWCVKBRY-MOPGFXCFSA-N 2 2 349.563 3.268 20 0 EGADLP CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369295365 458162362 /nfs/dbraw/zinc/16/23/62/458162362.db2.gz VJTRBRYWCVKBRY-MOPGFXCFSA-N 2 2 349.563 3.268 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435626531 458176508 /nfs/dbraw/zinc/17/65/08/458176508.db2.gz KTFPQCQPQDQJNY-GOSISDBHSA-N 2 2 331.504 3.214 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435626531 458176512 /nfs/dbraw/zinc/17/65/12/458176512.db2.gz KTFPQCQPQDQJNY-GOSISDBHSA-N 2 2 331.504 3.214 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000435884653 458217757 /nfs/dbraw/zinc/21/77/57/458217757.db2.gz VMVPXPGENADZII-NRFANRHFSA-N 2 2 340.467 3.261 20 0 EGADLP C[NH2+]CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000435884653 458217763 /nfs/dbraw/zinc/21/77/63/458217763.db2.gz VMVPXPGENADZII-NRFANRHFSA-N 2 2 340.467 3.261 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000446978276 458252686 /nfs/dbraw/zinc/25/26/86/458252686.db2.gz WENDRTVHNURSJC-MAUKXSAKSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000446978276 458252690 /nfs/dbraw/zinc/25/26/90/458252690.db2.gz WENDRTVHNURSJC-MAUKXSAKSA-N 2 2 345.487 3.019 20 0 EGADLP Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)c[nH+]1 ZINC000459084351 458263202 /nfs/dbraw/zinc/26/32/02/458263202.db2.gz UABSZEWWMBECIG-UHFFFAOYSA-N 2 2 346.500 3.033 20 0 EGADLP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000447293197 458279757 /nfs/dbraw/zinc/27/97/57/458279757.db2.gz AEIYBZPBTJVBKE-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000447293197 458279762 /nfs/dbraw/zinc/27/97/62/458279762.db2.gz AEIYBZPBTJVBKE-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000447293197 458279765 /nfs/dbraw/zinc/27/97/65/458279765.db2.gz AEIYBZPBTJVBKE-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000447293197 458279773 /nfs/dbraw/zinc/27/97/73/458279773.db2.gz AEIYBZPBTJVBKE-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376424641 458296964 /nfs/dbraw/zinc/29/69/64/458296964.db2.gz GLKYKPSIYUQMCW-KRWDZBQOSA-N 2 2 334.508 3.028 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376424641 458296968 /nfs/dbraw/zinc/29/69/68/458296968.db2.gz GLKYKPSIYUQMCW-KRWDZBQOSA-N 2 2 334.508 3.028 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444625 458333900 /nfs/dbraw/zinc/33/39/00/458333900.db2.gz OLVJJWPHKYSDSW-SFTDATJTSA-N 2 2 346.515 3.072 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444625 458333905 /nfs/dbraw/zinc/33/39/05/458333905.db2.gz OLVJJWPHKYSDSW-SFTDATJTSA-N 2 2 346.515 3.072 20 0 EGADLP C[N@H+](Cc1cnc(C2CC2)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459347495 458338823 /nfs/dbraw/zinc/33/88/23/458338823.db2.gz YBTATZQKRIXRER-UHFFFAOYSA-N 2 2 336.483 3.450 20 0 EGADLP C[N@@H+](Cc1cnc(C2CC2)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459347495 458338826 /nfs/dbraw/zinc/33/88/26/458338826.db2.gz YBTATZQKRIXRER-UHFFFAOYSA-N 2 2 336.483 3.450 20 0 EGADLP CSCC[C@@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687687 458358558 /nfs/dbraw/zinc/35/85/58/458358558.db2.gz ADBFFBQHLRERKN-IEBWSBKVSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687687 458358561 /nfs/dbraw/zinc/35/85/61/458358561.db2.gz ADBFFBQHLRERKN-IEBWSBKVSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429687687 458358565 /nfs/dbraw/zinc/35/85/65/458358565.db2.gz ADBFFBQHLRERKN-IEBWSBKVSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429687687 458358569 /nfs/dbraw/zinc/35/85/69/458358569.db2.gz ADBFFBQHLRERKN-IEBWSBKVSA-N 2 2 336.545 3.351 20 0 EGADLP CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000447900369 458364149 /nfs/dbraw/zinc/36/41/49/458364149.db2.gz BQRKJTJTMNCTPT-FQEVSTJZSA-N 2 2 329.532 3.361 20 0 EGADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCCN1c1ccccc1Cl ZINC000459427818 458367030 /nfs/dbraw/zinc/36/70/30/458367030.db2.gz JMXDIDFLBBCZGM-KRWDZBQOSA-N 2 2 347.890 3.052 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)C[C@H](C)C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000376681428 458367993 /nfs/dbraw/zinc/36/79/93/458367993.db2.gz QWWKBCAGAYKFJN-DLBZAZTESA-N 2 2 346.519 3.056 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(-c2ccncc2)cs1 ZINC000459485872 458388711 /nfs/dbraw/zinc/38/87/11/458388711.db2.gz UOFSENOYFPGZEX-CYBMUJFWSA-N 2 2 328.485 3.483 20 0 EGADLP COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000430099557 458401189 /nfs/dbraw/zinc/40/11/89/458401189.db2.gz KDJQNDKKBVWFJW-OAQYLSRUSA-N 2 2 338.451 3.139 20 0 EGADLP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000430099557 458401194 /nfs/dbraw/zinc/40/11/94/458401194.db2.gz KDJQNDKKBVWFJW-OAQYLSRUSA-N 2 2 338.451 3.139 20 0 EGADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124931 458405176 /nfs/dbraw/zinc/40/51/76/458405176.db2.gz RYYFXHBPGVZXBO-CPUCHLNUSA-N 2 2 332.879 3.150 20 0 EGADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124931 458405180 /nfs/dbraw/zinc/40/51/80/458405180.db2.gz RYYFXHBPGVZXBO-CPUCHLNUSA-N 2 2 332.879 3.150 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000373233582 458439293 /nfs/dbraw/zinc/43/92/93/458439293.db2.gz WLIIQLHTERJATD-CQSZACIVSA-N 2 2 349.862 3.470 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000373233582 458439296 /nfs/dbraw/zinc/43/92/96/458439296.db2.gz WLIIQLHTERJATD-CQSZACIVSA-N 2 2 349.862 3.470 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000373233589 458439428 /nfs/dbraw/zinc/43/94/28/458439428.db2.gz WMTNEZXWQWSRNF-HNNXBMFYSA-N 2 2 335.398 3.444 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000373233589 458439435 /nfs/dbraw/zinc/43/94/35/458439435.db2.gz WMTNEZXWQWSRNF-HNNXBMFYSA-N 2 2 335.398 3.444 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423497109 458443313 /nfs/dbraw/zinc/44/33/13/458443313.db2.gz GBPJGNKHYYZWDM-QRWLVFNGSA-N 2 2 339.483 3.301 20 0 EGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423516842 458449274 /nfs/dbraw/zinc/44/92/74/458449274.db2.gz HAWDWMIBULGEPN-HOTGVXAUSA-N 2 2 330.394 3.371 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000430537141 458458133 /nfs/dbraw/zinc/45/81/33/458458133.db2.gz GJKOMWPYEAFZHX-YDHLFZDLSA-N 2 2 348.878 3.434 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000430537141 458458136 /nfs/dbraw/zinc/45/81/36/458458136.db2.gz GJKOMWPYEAFZHX-YDHLFZDLSA-N 2 2 348.878 3.434 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430543842 458458808 /nfs/dbraw/zinc/45/88/08/458458808.db2.gz NFLKEKLDMPUYJY-RLFYNMQTSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430543842 458458809 /nfs/dbraw/zinc/45/88/09/458458809.db2.gz NFLKEKLDMPUYJY-RLFYNMQTSA-N 2 2 331.504 3.198 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579239 458465355 /nfs/dbraw/zinc/46/53/55/458465355.db2.gz YIKHLDBNNUCUTL-BXUZGUMPSA-N 2 2 329.847 3.111 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579239 458465356 /nfs/dbraw/zinc/46/53/56/458465356.db2.gz YIKHLDBNNUCUTL-BXUZGUMPSA-N 2 2 329.847 3.111 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1C[NH3+] ZINC000430594187 458467693 /nfs/dbraw/zinc/46/76/93/458467693.db2.gz JZOYMUXHBMOOMM-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1C[NH3+] ZINC000430594187 458467697 /nfs/dbraw/zinc/46/76/97/458467697.db2.gz JZOYMUXHBMOOMM-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000423655571 458468711 /nfs/dbraw/zinc/46/87/11/458468711.db2.gz VKBRFXMTCHTEOG-IAQYHMDHSA-N 2 2 331.803 3.089 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619184 458471686 /nfs/dbraw/zinc/47/16/86/458471686.db2.gz ZQSMXLSUJCOGRZ-OLZOCXBDSA-N 2 2 334.851 3.382 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619184 458471690 /nfs/dbraw/zinc/47/16/90/458471690.db2.gz ZQSMXLSUJCOGRZ-OLZOCXBDSA-N 2 2 334.851 3.382 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611874 458472055 /nfs/dbraw/zinc/47/20/55/458472055.db2.gz PXKYFQADMAFIHO-YJBOKZPZSA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611874 458472059 /nfs/dbraw/zinc/47/20/59/458472059.db2.gz PXKYFQADMAFIHO-YJBOKZPZSA-N 2 2 349.494 3.090 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377153681 458476649 /nfs/dbraw/zinc/47/66/49/458476649.db2.gz KJEGXWCYKILPEQ-GOSISDBHSA-N 2 2 340.467 3.316 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377153681 458476653 /nfs/dbraw/zinc/47/66/53/458476653.db2.gz KJEGXWCYKILPEQ-GOSISDBHSA-N 2 2 340.467 3.316 20 0 EGADLP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760052 458514988 /nfs/dbraw/zinc/51/49/88/458514988.db2.gz INHNVKJTPBMGDF-ROUUACIJSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760052 458514990 /nfs/dbraw/zinc/51/49/90/458514990.db2.gz INHNVKJTPBMGDF-ROUUACIJSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760052 458514997 /nfs/dbraw/zinc/51/49/97/458514997.db2.gz INHNVKJTPBMGDF-ROUUACIJSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760052 458514999 /nfs/dbraw/zinc/51/49/99/458514999.db2.gz INHNVKJTPBMGDF-ROUUACIJSA-N 2 2 325.431 3.175 20 0 EGADLP COc1ccc([C@@H](C[NH2+]CC[C@H]2CCOC2)[NH+]2CCCCC2)cc1 ZINC000438075226 458527831 /nfs/dbraw/zinc/52/78/31/458527831.db2.gz ARXUEYURPUHJCO-FXAWDEMLSA-N 2 2 332.488 3.238 20 0 EGADLP COc1ccc([C@H](C[NH2+]CC[C@@H]2CCOC2)[NH+]2CCCCC2)cc1 ZINC000438075230 458528004 /nfs/dbraw/zinc/52/80/04/458528004.db2.gz ARXUEYURPUHJCO-XLIONFOSSA-N 2 2 332.488 3.238 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000431095029 458528752 /nfs/dbraw/zinc/52/87/52/458528752.db2.gz SOSJUKRHMWJQMZ-MRXNPFEDSA-N 2 2 326.444 3.305 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000431095029 458528757 /nfs/dbraw/zinc/52/87/57/458528757.db2.gz SOSJUKRHMWJQMZ-MRXNPFEDSA-N 2 2 326.444 3.305 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101457 458531809 /nfs/dbraw/zinc/53/18/09/458531809.db2.gz OTHOJOSGMHHMMW-OXQOHEQNSA-N 2 2 344.478 3.375 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101457 458531816 /nfs/dbraw/zinc/53/18/16/458531816.db2.gz OTHOJOSGMHHMMW-OXQOHEQNSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101457 458531820 /nfs/dbraw/zinc/53/18/20/458531820.db2.gz OTHOJOSGMHHMMW-OXQOHEQNSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101457 458531822 /nfs/dbraw/zinc/53/18/22/458531822.db2.gz OTHOJOSGMHHMMW-OXQOHEQNSA-N 2 2 344.478 3.375 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(C)(C)[C@H]3C(C)C)c2cc1C ZINC000431126532 458532482 /nfs/dbraw/zinc/53/24/82/458532482.db2.gz GGNIWNCOWOTPPO-VQIMIIECSA-N 2 2 329.488 3.380 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(C)(C)[C@H]3C(C)C)c2cc1C ZINC000431126532 458532488 /nfs/dbraw/zinc/53/24/88/458532488.db2.gz GGNIWNCOWOTPPO-VQIMIIECSA-N 2 2 329.488 3.380 20 0 EGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438186321 458546966 /nfs/dbraw/zinc/54/69/66/458546966.db2.gz NXEHSIAWAZUYLC-XLIONFOSSA-N 2 2 330.516 3.476 20 0 EGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438186321 458546974 /nfs/dbraw/zinc/54/69/74/458546974.db2.gz NXEHSIAWAZUYLC-XLIONFOSSA-N 2 2 330.516 3.476 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377890124 458566102 /nfs/dbraw/zinc/56/61/02/458566102.db2.gz RZHRVNZATROLMQ-CQSZACIVSA-N 2 2 349.862 3.470 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377890124 458566104 /nfs/dbraw/zinc/56/61/04/458566104.db2.gz RZHRVNZATROLMQ-CQSZACIVSA-N 2 2 349.862 3.470 20 0 EGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000469954458 458603018 /nfs/dbraw/zinc/60/30/18/458603018.db2.gz VFZBUZMJTNOYQE-DENIHFKCSA-N 2 2 343.559 3.310 20 0 EGADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000469954458 458603023 /nfs/dbraw/zinc/60/30/23/458603023.db2.gz VFZBUZMJTNOYQE-DENIHFKCSA-N 2 2 343.559 3.310 20 0 EGADLP COc1cc(OC)c(C2CC[NH+]([C@@H](C)[C@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000530214334 458718502 /nfs/dbraw/zinc/71/85/02/458718502.db2.gz XTXGWINBGJIONM-WMLDXEAASA-N 2 2 348.487 3.032 20 0 EGADLP C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713325 458737141 /nfs/dbraw/zinc/73/71/41/458737141.db2.gz VSNUTLILYRDLGG-GJZGRUSLSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713325 458737149 /nfs/dbraw/zinc/73/71/49/458737149.db2.gz VSNUTLILYRDLGG-GJZGRUSLSA-N 2 2 344.459 3.069 20 0 EGADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCC1 ZINC000439952058 458768805 /nfs/dbraw/zinc/76/88/05/458768805.db2.gz RYUDGURPAMKFAG-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCC1 ZINC000439952058 458768808 /nfs/dbraw/zinc/76/88/08/458768808.db2.gz RYUDGURPAMKFAG-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079485 458795795 /nfs/dbraw/zinc/79/57/95/458795795.db2.gz AGSKPDKTJGFJAY-WMZOPIPTSA-N 2 2 333.524 3.384 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079485 458795802 /nfs/dbraw/zinc/79/58/02/458795802.db2.gz AGSKPDKTJGFJAY-WMZOPIPTSA-N 2 2 333.524 3.384 20 0 EGADLP Cc1ccccc1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CCCC1 ZINC000495084377 458797283 /nfs/dbraw/zinc/79/72/83/458797283.db2.gz MKCWLYNKEGODLB-UXHICEINSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CCCC1 ZINC000495084377 458797289 /nfs/dbraw/zinc/79/72/89/458797289.db2.gz MKCWLYNKEGODLB-UXHICEINSA-N 2 2 343.515 3.156 20 0 EGADLP CO[C@H](C)c1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000530630361 458801888 /nfs/dbraw/zinc/80/18/88/458801888.db2.gz BBGDMDHXBAAJQH-CQSZACIVSA-N 2 2 325.522 3.403 20 0 EGADLP CO[C@H](C)c1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000530630361 458801894 /nfs/dbraw/zinc/80/18/94/458801894.db2.gz BBGDMDHXBAAJQH-CQSZACIVSA-N 2 2 325.522 3.403 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432863788 458803225 /nfs/dbraw/zinc/80/32/25/458803225.db2.gz JPFSVYCAYGEKJT-WBVHZDCISA-N 2 2 341.503 3.102 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432863788 458803234 /nfs/dbraw/zinc/80/32/34/458803234.db2.gz JPFSVYCAYGEKJT-WBVHZDCISA-N 2 2 341.503 3.102 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902181 458842684 /nfs/dbraw/zinc/84/26/84/458842684.db2.gz LTJJZKNLUOKTQC-CUWPLCDZSA-N 2 2 345.531 3.305 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902181 458842686 /nfs/dbraw/zinc/84/26/86/458842686.db2.gz LTJJZKNLUOKTQC-CUWPLCDZSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902181 458842691 /nfs/dbraw/zinc/84/26/91/458842691.db2.gz LTJJZKNLUOKTQC-CUWPLCDZSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902181 458842697 /nfs/dbraw/zinc/84/26/97/458842697.db2.gz LTJJZKNLUOKTQC-CUWPLCDZSA-N 2 2 345.531 3.305 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000474053408 458856797 /nfs/dbraw/zinc/85/67/97/458856797.db2.gz OPECVTUWTAXTQC-HKUYNNGSSA-N 2 2 334.529 3.445 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000531306383 458898411 /nfs/dbraw/zinc/89/84/11/458898411.db2.gz MXCBSMRWHRFNKE-INIZCTEOSA-N 2 2 342.830 3.020 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(Cl)c1 ZINC000531342506 458903960 /nfs/dbraw/zinc/90/39/60/458903960.db2.gz IKGMEZLMWWPAIX-UHFFFAOYSA-N 2 2 337.895 3.169 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336940 458923249 /nfs/dbraw/zinc/92/32/49/458923249.db2.gz IGUVCMIJDVUAAF-VQTJNVASSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336940 458923254 /nfs/dbraw/zinc/92/32/54/458923254.db2.gz IGUVCMIJDVUAAF-VQTJNVASSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441336940 458923258 /nfs/dbraw/zinc/92/32/58/458923258.db2.gz IGUVCMIJDVUAAF-VQTJNVASSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441336940 458923260 /nfs/dbraw/zinc/92/32/60/458923260.db2.gz IGUVCMIJDVUAAF-VQTJNVASSA-N 2 2 345.531 3.450 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353091 458924593 /nfs/dbraw/zinc/92/45/93/458924593.db2.gz LJHLFSRASSXATP-SPOLIRPYSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441353091 458924598 /nfs/dbraw/zinc/92/45/98/458924598.db2.gz LJHLFSRASSXATP-SPOLIRPYSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441353091 458924600 /nfs/dbraw/zinc/92/46/00/458924600.db2.gz LJHLFSRASSXATP-SPOLIRPYSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441353091 458924604 /nfs/dbraw/zinc/92/46/04/458924604.db2.gz LJHLFSRASSXATP-SPOLIRPYSA-N 2 2 337.552 3.122 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358976 458925906 /nfs/dbraw/zinc/92/59/06/458925906.db2.gz PDKDSWJLRGZIHR-QZTJIDSGSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358976 458925914 /nfs/dbraw/zinc/92/59/14/458925914.db2.gz PDKDSWJLRGZIHR-QZTJIDSGSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000441358976 458925916 /nfs/dbraw/zinc/92/59/16/458925916.db2.gz PDKDSWJLRGZIHR-QZTJIDSGSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000441358976 458925921 /nfs/dbraw/zinc/92/59/21/458925921.db2.gz PDKDSWJLRGZIHR-QZTJIDSGSA-N 2 2 337.552 3.362 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441367902 458928680 /nfs/dbraw/zinc/92/86/80/458928680.db2.gz YMWWMPFNWQOMLE-FQEVSTJZSA-N 2 2 345.531 3.014 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441367902 458928686 /nfs/dbraw/zinc/92/86/86/458928686.db2.gz YMWWMPFNWQOMLE-FQEVSTJZSA-N 2 2 345.531 3.014 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441367902 458928692 /nfs/dbraw/zinc/92/86/92/458928692.db2.gz YMWWMPFNWQOMLE-FQEVSTJZSA-N 2 2 345.531 3.014 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441367902 458928697 /nfs/dbraw/zinc/92/86/97/458928697.db2.gz YMWWMPFNWQOMLE-FQEVSTJZSA-N 2 2 345.531 3.014 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H](C)c1ccccc1 ZINC000556242751 458941906 /nfs/dbraw/zinc/94/19/06/458941906.db2.gz VOKJKODMPPPYIL-KGVIQGDOSA-N 2 2 338.495 3.187 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H](C)c1ccccc1 ZINC000556242751 458941911 /nfs/dbraw/zinc/94/19/11/458941911.db2.gz VOKJKODMPPPYIL-KGVIQGDOSA-N 2 2 338.495 3.187 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cnc2n1CCCC2 ZINC000556431278 458960929 /nfs/dbraw/zinc/96/09/29/458960929.db2.gz SGNGZCQQCNIWJP-UHFFFAOYSA-N 2 2 340.515 3.467 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cnc2n1CCCC2 ZINC000556431278 458960937 /nfs/dbraw/zinc/96/09/37/458960937.db2.gz SGNGZCQQCNIWJP-UHFFFAOYSA-N 2 2 340.515 3.467 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026197 458966140 /nfs/dbraw/zinc/96/61/40/458966140.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026197 458966145 /nfs/dbraw/zinc/96/61/45/458966145.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026197 458966151 /nfs/dbraw/zinc/96/61/51/458966151.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026197 458966154 /nfs/dbraw/zinc/96/61/54/458966154.db2.gz SDWJLHOBFOCWKV-KRWDZBQOSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000467360999 458969793 /nfs/dbraw/zinc/96/97/93/458969793.db2.gz XWLRUYWRONXWNH-FGZHOGPDSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000467360999 458969794 /nfs/dbraw/zinc/96/97/94/458969794.db2.gz XWLRUYWRONXWNH-FGZHOGPDSA-N 2 2 338.495 3.153 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000495849903 458976232 /nfs/dbraw/zinc/97/62/32/458976232.db2.gz LUDPQSCYMBXNFS-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000495849903 458976237 /nfs/dbraw/zinc/97/62/37/458976237.db2.gz LUDPQSCYMBXNFS-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP O[C@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC1CCCC1 ZINC000577386343 459027005 /nfs/dbraw/zinc/02/70/05/459027005.db2.gz UJKKAZXNUZZBMY-IBGZPJMESA-N 2 2 327.472 3.005 20 0 EGADLP CCCN1C(=O)C2(CCCCC2)[NH2+][C@]12CCC[C@@H](c1[nH+]ccn1C)C2 ZINC000556882294 459027075 /nfs/dbraw/zinc/02/70/75/459027075.db2.gz ZBEWUHLKMUKIFN-OXQOHEQNSA-N 2 2 344.503 3.319 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000577501008 459043700 /nfs/dbraw/zinc/04/37/00/459043700.db2.gz OIGDYOTYVBODEN-XHSDSOJGSA-N 2 2 327.497 3.385 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833790 459045088 /nfs/dbraw/zinc/04/50/88/459045088.db2.gz IKVSHDBNFXFHRE-DOTOQJQBSA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833790 459045094 /nfs/dbraw/zinc/04/50/94/459045094.db2.gz IKVSHDBNFXFHRE-DOTOQJQBSA-N 2 2 344.421 3.245 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)n1C ZINC000496089221 459063448 /nfs/dbraw/zinc/06/34/48/459063448.db2.gz TYWMLMDCUACTTI-SFHVURJKSA-N 2 2 338.496 3.148 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1O ZINC000443014172 459075621 /nfs/dbraw/zinc/07/56/21/459075621.db2.gz PJSWPBVGTLYAFO-FOIQADDNSA-N 2 2 328.456 3.490 20 0 EGADLP CCCCOc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000520955792 459105390 /nfs/dbraw/zinc/10/53/90/459105390.db2.gz SXZSLGZXNOKLAC-HDICACEKSA-N 2 2 334.504 3.454 20 0 EGADLP CCCCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000520955792 459105394 /nfs/dbraw/zinc/10/53/94/459105394.db2.gz SXZSLGZXNOKLAC-HDICACEKSA-N 2 2 334.504 3.454 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532531124 459105764 /nfs/dbraw/zinc/10/57/64/459105764.db2.gz OWVGAARDZMDSMC-CVEARBPZSA-N 2 2 332.492 3.209 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532531124 459105769 /nfs/dbraw/zinc/10/57/69/459105769.db2.gz OWVGAARDZMDSMC-CVEARBPZSA-N 2 2 332.492 3.209 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000578065130 459140829 /nfs/dbraw/zinc/14/08/29/459140829.db2.gz JUQBFAFZHYILBP-SQBLYHGDSA-N 2 2 326.484 3.432 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CCO)C1CCCCC1 ZINC000479620803 459154464 /nfs/dbraw/zinc/15/44/64/459154464.db2.gz ZFFLOHLSOHDLCY-DUXKGJEZSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H](CCO)C1CCCCC1 ZINC000479620803 459154469 /nfs/dbraw/zinc/15/44/69/459154469.db2.gz ZFFLOHLSOHDLCY-DUXKGJEZSA-N 2 2 330.516 3.428 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000567763764 459164020 /nfs/dbraw/zinc/16/40/20/459164020.db2.gz PDANODNWGOLJMH-AZUAARDMSA-N 2 2 326.488 3.445 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000567763764 459164029 /nfs/dbraw/zinc/16/40/29/459164029.db2.gz PDANODNWGOLJMH-AZUAARDMSA-N 2 2 326.488 3.445 20 0 EGADLP COc1ccccc1-c1noc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)n1 ZINC000567781641 459167467 /nfs/dbraw/zinc/16/74/67/459167467.db2.gz LTNZCWYDGKSNMT-AWEZNQCLSA-N 2 2 338.411 3.342 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480254944 459189717 /nfs/dbraw/zinc/18/97/17/459189717.db2.gz BXZIIJDKHHAVHK-QLFBSQMISA-N 2 2 340.895 3.499 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480254944 459189722 /nfs/dbraw/zinc/18/97/22/459189722.db2.gz BXZIIJDKHHAVHK-QLFBSQMISA-N 2 2 340.895 3.499 20 0 EGADLP Cc1cccc(C[C@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C2CC2)c1 ZINC000480268349 459191325 /nfs/dbraw/zinc/19/13/25/459191325.db2.gz TUWHPENKSVGEHW-OPYAIIAOSA-N 2 2 330.516 3.405 20 0 EGADLP COc1ccc(C[C@@H]([NH2+]CC[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000559981811 459289330 /nfs/dbraw/zinc/28/93/30/459289330.db2.gz SUIZMFUOVUOVMB-HXUWFJFHSA-N 2 2 328.456 3.139 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCc3ccc4c(c3)CCO4)C2)cc1 ZINC000482158522 459294635 /nfs/dbraw/zinc/29/46/35/459294635.db2.gz QMHUBYYBQZNDIF-NRFANRHFSA-N 2 2 336.479 3.418 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCc3ccc4c(c3)CCO4)C2)cc1 ZINC000482158522 459294638 /nfs/dbraw/zinc/29/46/38/459294638.db2.gz QMHUBYYBQZNDIF-NRFANRHFSA-N 2 2 336.479 3.418 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000482243394 459298540 /nfs/dbraw/zinc/29/85/40/459298540.db2.gz LPAVGUGZAVDUQQ-ZDUSSCGKSA-N 2 2 331.287 3.236 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000482243394 459298542 /nfs/dbraw/zinc/29/85/42/459298542.db2.gz LPAVGUGZAVDUQQ-ZDUSSCGKSA-N 2 2 331.287 3.236 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082617 459310152 /nfs/dbraw/zinc/31/01/52/459310152.db2.gz SAXVONCDSKEQGT-UONOGXRCSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082617 459310155 /nfs/dbraw/zinc/31/01/55/459310155.db2.gz SAXVONCDSKEQGT-UONOGXRCSA-N 2 2 332.835 3.201 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000560267250 459317348 /nfs/dbraw/zinc/31/73/48/459317348.db2.gz HZXJSHUOTWPNNU-HNNXBMFYSA-N 2 2 343.471 3.266 20 0 EGADLP CCCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482644899 459319315 /nfs/dbraw/zinc/31/93/15/459319315.db2.gz ULVZUVRDLWZBBJ-LPHOPBHVSA-N 2 2 331.504 3.020 20 0 EGADLP CCCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482644899 459319320 /nfs/dbraw/zinc/31/93/20/459319320.db2.gz ULVZUVRDLWZBBJ-LPHOPBHVSA-N 2 2 331.504 3.020 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000568654430 459324173 /nfs/dbraw/zinc/32/41/73/459324173.db2.gz QIKFKSAOFDSEOW-DLBZAZTESA-N 2 2 347.503 3.122 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1CC(CC)(CC)OC1=O ZINC000496794617 459326967 /nfs/dbraw/zinc/32/69/67/459326967.db2.gz XSEQYKFEQITUQZ-UHFFFAOYSA-N 2 2 336.480 3.126 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1CC(CC)(CC)OC1=O ZINC000496794617 459326975 /nfs/dbraw/zinc/32/69/75/459326975.db2.gz XSEQYKFEQITUQZ-UHFFFAOYSA-N 2 2 336.480 3.126 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000534580723 459335297 /nfs/dbraw/zinc/33/52/97/459335297.db2.gz OEDODPOIZVJMTO-KRWDZBQOSA-N 2 2 348.450 3.391 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000534580723 459335300 /nfs/dbraw/zinc/33/53/00/459335300.db2.gz OEDODPOIZVJMTO-KRWDZBQOSA-N 2 2 348.450 3.391 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367829 459355007 /nfs/dbraw/zinc/35/50/07/459355007.db2.gz GAOPCQRZZVZCBO-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367829 459355011 /nfs/dbraw/zinc/35/50/11/459355011.db2.gz GAOPCQRZZVZCBO-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367829 459355016 /nfs/dbraw/zinc/35/50/16/459355016.db2.gz GAOPCQRZZVZCBO-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000582367829 459355022 /nfs/dbraw/zinc/35/50/22/459355022.db2.gz GAOPCQRZZVZCBO-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCSc3ccccc3F)CC2)c1 ZINC000483518147 459374149 /nfs/dbraw/zinc/37/41/49/459374149.db2.gz LBLUCNCEKKXITL-UHFFFAOYSA-N 2 2 331.460 3.443 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)ccc2n1C ZINC000525217441 459428817 /nfs/dbraw/zinc/42/88/17/459428817.db2.gz BYAGDPCMADQVKL-HXUWFJFHSA-N 2 2 348.450 3.485 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)ccc2n1C ZINC000525217441 459428824 /nfs/dbraw/zinc/42/88/24/459428824.db2.gz BYAGDPCMADQVKL-HXUWFJFHSA-N 2 2 348.450 3.485 20 0 EGADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ncccc1F)c1ccccc1O2 ZINC000561250401 459435773 /nfs/dbraw/zinc/43/57/73/459435773.db2.gz LVVSCMKVZVZPBX-KRWDZBQOSA-N 2 2 341.430 3.299 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591866924 459458623 /nfs/dbraw/zinc/45/86/23/459458623.db2.gz JTPLZQRYFBTMAP-HOCLYGCPSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591866924 459458629 /nfs/dbraw/zinc/45/86/29/459458629.db2.gz JTPLZQRYFBTMAP-HOCLYGCPSA-N 2 2 344.484 3.269 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867600 459458826 /nfs/dbraw/zinc/45/88/26/459458826.db2.gz QAUHTUYVFPLOED-KRWDZBQOSA-N 2 2 326.444 3.030 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867600 459458827 /nfs/dbraw/zinc/45/88/27/459458827.db2.gz QAUHTUYVFPLOED-KRWDZBQOSA-N 2 2 326.444 3.030 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000497152504 459462361 /nfs/dbraw/zinc/46/23/61/459462361.db2.gz QZNZEXZZNCKCSS-ROUUACIJSA-N 2 2 345.487 3.264 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000497152504 459462368 /nfs/dbraw/zinc/46/23/68/459462368.db2.gz QZNZEXZZNCKCSS-ROUUACIJSA-N 2 2 345.487 3.264 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000497189483 459478657 /nfs/dbraw/zinc/47/86/57/459478657.db2.gz HHFVSGKCSLDWFM-HZPDHXFCSA-N 2 2 327.513 3.001 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000497189483 459478660 /nfs/dbraw/zinc/47/86/60/459478660.db2.gz HHFVSGKCSLDWFM-HZPDHXFCSA-N 2 2 327.513 3.001 20 0 EGADLP c1ncn(-c2ccc(C[N@@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000583630658 459571368 /nfs/dbraw/zinc/57/13/68/459571368.db2.gz NFMWHILIHQSKJH-OAQYLSRUSA-N 2 2 347.466 3.022 20 0 EGADLP c1ncn(-c2ccc(C[N@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)cc2)n1 ZINC000583630658 459571371 /nfs/dbraw/zinc/57/13/71/459571371.db2.gz NFMWHILIHQSKJH-OAQYLSRUSA-N 2 2 347.466 3.022 20 0 EGADLP Oc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc(C(F)(F)F)c1 ZINC000583901185 459614963 /nfs/dbraw/zinc/61/49/63/459614963.db2.gz QDNINFQHDDPWIX-UHFFFAOYSA-N 2 2 325.334 3.234 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054914 459617603 /nfs/dbraw/zinc/61/76/03/459617603.db2.gz KNRFTUNJFHHVRG-KRWDZBQOSA-N 2 2 340.471 3.433 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054914 459617608 /nfs/dbraw/zinc/61/76/08/459617608.db2.gz KNRFTUNJFHHVRG-KRWDZBQOSA-N 2 2 340.471 3.433 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054914 459617610 /nfs/dbraw/zinc/61/76/10/459617610.db2.gz KNRFTUNJFHHVRG-KRWDZBQOSA-N 2 2 340.471 3.433 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054914 459617613 /nfs/dbraw/zinc/61/76/13/459617613.db2.gz KNRFTUNJFHHVRG-KRWDZBQOSA-N 2 2 340.471 3.433 20 0 EGADLP Brc1ccc(-c2c[nH]c(C[NH2+]CC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000583982010 459629435 /nfs/dbraw/zinc/62/94/35/459629435.db2.gz CTKSKABQLBULQT-CQSZACIVSA-N 2 2 349.276 3.071 20 0 EGADLP C[C@@H]1CCC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543620099 459676796 /nfs/dbraw/zinc/67/67/96/459676796.db2.gz VGHFEKYWOZBYKF-ZBFHGGJFSA-N 2 2 328.460 3.038 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000584214101 459681509 /nfs/dbraw/zinc/68/15/09/459681509.db2.gz RGQSJNZNARFYAW-MJGOQNOKSA-N 2 2 348.556 3.102 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000596638299 459709146 /nfs/dbraw/zinc/70/91/46/459709146.db2.gz LSRYKCGZOBKOQW-UHFFFAOYSA-N 2 2 338.386 3.260 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527751112 459725503 /nfs/dbraw/zinc/72/55/03/459725503.db2.gz HDFUOLASBLAFTG-MRXNPFEDSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751112 459725505 /nfs/dbraw/zinc/72/55/05/459725505.db2.gz HDFUOLASBLAFTG-MRXNPFEDSA-N 2 2 333.442 3.010 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760155 459728214 /nfs/dbraw/zinc/72/82/14/459728214.db2.gz ABIDZSQAHJUUMO-HRAATJIYSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760155 459728218 /nfs/dbraw/zinc/72/82/18/459728218.db2.gz ABIDZSQAHJUUMO-HRAATJIYSA-N 2 2 334.467 3.183 20 0 EGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])c3cscn3)c2C1 ZINC000573850546 459746206 /nfs/dbraw/zinc/74/62/06/459746206.db2.gz SMABFOITIMFWQD-KRWDZBQOSA-N 2 2 344.484 3.143 20 0 EGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])c3cscn3)c2C1 ZINC000573850546 459746213 /nfs/dbraw/zinc/74/62/13/459746213.db2.gz SMABFOITIMFWQD-KRWDZBQOSA-N 2 2 344.484 3.143 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544347643 459750647 /nfs/dbraw/zinc/75/06/47/459750647.db2.gz OUWKAOVHCBFMAL-QIJUGHKUSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544347643 459750654 /nfs/dbraw/zinc/75/06/54/459750654.db2.gz OUWKAOVHCBFMAL-QIJUGHKUSA-N 2 2 338.495 3.090 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360883 459752114 /nfs/dbraw/zinc/75/21/14/459752114.db2.gz UXQWWDJWUXSMLZ-LIRRHRJNSA-N 2 2 331.410 3.381 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360883 459752117 /nfs/dbraw/zinc/75/21/17/459752117.db2.gz UXQWWDJWUXSMLZ-LIRRHRJNSA-N 2 2 331.410 3.381 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c(OC)n1 ZINC000573966633 459763521 /nfs/dbraw/zinc/76/35/21/459763521.db2.gz XAQZDNGALMZEFH-QAPCUYQASA-N 2 2 347.503 3.232 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000566064136 459799729 /nfs/dbraw/zinc/79/97/29/459799729.db2.gz BAYVUHLOTBVDNA-BEVDRBHNSA-N 2 2 330.447 3.010 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cc1F ZINC000597050779 459825103 /nfs/dbraw/zinc/82/51/03/459825103.db2.gz DHINOUXNAVCCHN-LJQANCHMSA-N 2 2 344.430 3.313 20 0 EGADLP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000566305415 459839532 /nfs/dbraw/zinc/83/95/32/459839532.db2.gz WMMBHTKHWYLYQL-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP CC(C)[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)[N@@H+]1CCc2ccccc2C1 ZINC000574682610 459853926 /nfs/dbraw/zinc/85/39/26/459853926.db2.gz SAUXSHYWZRIKDQ-LJQANCHMSA-N 2 2 349.482 3.082 20 0 EGADLP CC(C)[C@@H](C[NH2+]Cc1c[nH]c2nccnc12)[N@H+]1CCc2ccccc2C1 ZINC000574682610 459853935 /nfs/dbraw/zinc/85/39/35/459853935.db2.gz SAUXSHYWZRIKDQ-LJQANCHMSA-N 2 2 349.482 3.082 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cc1Br ZINC000574771401 459870855 /nfs/dbraw/zinc/87/08/55/459870855.db2.gz VSDCAJPBOQADBK-JTQLQIEISA-N 2 2 338.249 3.350 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000545912606 459870886 /nfs/dbraw/zinc/87/08/86/459870886.db2.gz DDNSJVOHUYDNQB-YTQUADARSA-N 2 2 338.536 3.454 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000575860076 460018065 /nfs/dbraw/zinc/01/80/65/460018065.db2.gz JCKDOZOOXVSKNB-KBXCAEBGSA-N 2 2 344.484 3.007 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)c2ccccc21 ZINC000621748094 460045984 /nfs/dbraw/zinc/04/59/84/460045984.db2.gz BAMTWHCZFIEYNR-GOSISDBHSA-N 2 2 348.450 3.432 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)[nH]1 ZINC000602662915 460052000 /nfs/dbraw/zinc/05/20/00/460052000.db2.gz NZMAICDFKMMIME-UHFFFAOYSA-N 2 2 344.459 3.080 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050077 460059153 /nfs/dbraw/zinc/05/91/53/460059153.db2.gz YWQAQAXBSHONJN-DLBZAZTESA-N 2 2 335.536 3.292 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050077 460059157 /nfs/dbraw/zinc/05/91/57/460059157.db2.gz YWQAQAXBSHONJN-DLBZAZTESA-N 2 2 335.536 3.292 20 0 EGADLP CCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000576053645 460060110 /nfs/dbraw/zinc/06/01/10/460060110.db2.gz WWUZGVFGCTYWMK-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP CCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000576053645 460060117 /nfs/dbraw/zinc/06/01/17/460060117.db2.gz WWUZGVFGCTYWMK-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP CSCc1cnc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)s1 ZINC000598918663 460092877 /nfs/dbraw/zinc/09/28/77/460092877.db2.gz SENIADPTJUZMGP-UHFFFAOYSA-N 2 2 335.489 3.073 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000614325903 460096777 /nfs/dbraw/zinc/09/67/77/460096777.db2.gz TUQKAYSLMUZDJG-INIZCTEOSA-N 2 2 331.287 3.440 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000614325903 460096781 /nfs/dbraw/zinc/09/67/81/460096781.db2.gz TUQKAYSLMUZDJG-INIZCTEOSA-N 2 2 331.287 3.440 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004894 460157912 /nfs/dbraw/zinc/15/79/12/460157912.db2.gz WCWKLVRQHCCDQT-SWLSCSKDSA-N 2 2 332.341 3.080 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004894 460157919 /nfs/dbraw/zinc/15/79/19/460157919.db2.gz WCWKLVRQHCCDQT-SWLSCSKDSA-N 2 2 332.341 3.080 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006145 460159656 /nfs/dbraw/zinc/15/96/56/460159656.db2.gz VTDVWLHFBOCRGT-TZIWHRDSSA-N 2 2 338.499 3.170 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006145 460159661 /nfs/dbraw/zinc/15/96/61/460159661.db2.gz VTDVWLHFBOCRGT-TZIWHRDSSA-N 2 2 338.499 3.170 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(C)(C)[C@@H]3C3CC3)c2cc1C ZINC000576794986 460213235 /nfs/dbraw/zinc/21/32/35/460213235.db2.gz DJSJRYJIXKWVSI-APWZRJJASA-N 2 2 327.472 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(C)(C)[C@@H]3C3CC3)c2cc1C ZINC000576794986 460213242 /nfs/dbraw/zinc/21/32/42/460213242.db2.gz DJSJRYJIXKWVSI-APWZRJJASA-N 2 2 327.472 3.134 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(-n3c[nH+]c(C)c3C)cc1)C2 ZINC000615114151 460277594 /nfs/dbraw/zinc/27/75/94/460277594.db2.gz CUJBDABQJKHKGP-OAHLLOKOSA-N 2 2 349.438 3.264 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(-n3c[nH+]c(C)c3C)cc1)CC2 ZINC000615114151 460277598 /nfs/dbraw/zinc/27/75/98/460277598.db2.gz CUJBDABQJKHKGP-OAHLLOKOSA-N 2 2 349.438 3.264 20 0 EGADLP COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000603518689 460316039 /nfs/dbraw/zinc/31/60/39/460316039.db2.gz IYESCLYYCZGPLH-GOSISDBHSA-N 2 2 335.407 3.494 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C/C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000603713042 460335495 /nfs/dbraw/zinc/33/54/95/460335495.db2.gz BDRNTGNRFIROOV-VGIQHARFSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C/C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000603713042 460335498 /nfs/dbraw/zinc/33/54/98/460335498.db2.gz BDRNTGNRFIROOV-VGIQHARFSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[N@H+]1C/C=C/C[NH+]1CCOC[C@@H]1CC(C)C ZINC000603713042 460335501 /nfs/dbraw/zinc/33/55/01/460335501.db2.gz BDRNTGNRFIROOV-VGIQHARFSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[N@@H+]1C/C=C/C[NH+]1CCOC[C@@H]1CC(C)C ZINC000603713042 460335507 /nfs/dbraw/zinc/33/55/07/460335507.db2.gz BDRNTGNRFIROOV-VGIQHARFSA-N 2 2 338.536 3.036 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000611426234 460362432 /nfs/dbraw/zinc/36/24/32/460362432.db2.gz SUVXCFIMNYXCDZ-UHFFFAOYSA-N 2 2 342.439 3.211 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000623088605 460408338 /nfs/dbraw/zinc/40/83/38/460408338.db2.gz VHNRLKGXBSWGNE-UHFFFAOYSA-N 2 2 334.357 3.355 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000628476224 460431188 /nfs/dbraw/zinc/43/11/88/460431188.db2.gz NLMIJGVZCZRMSK-UHFFFAOYSA-N 2 2 335.517 3.097 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1C(=O)OC(C)(C)C ZINC000600195474 460434106 /nfs/dbraw/zinc/43/41/06/460434106.db2.gz JMKFOIVZXIFBQE-GOEBONIOSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1C(=O)OC(C)(C)C ZINC000600195474 460434111 /nfs/dbraw/zinc/43/41/11/460434111.db2.gz JMKFOIVZXIFBQE-GOEBONIOSA-N 2 2 329.444 3.134 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000631665854 460498961 /nfs/dbraw/zinc/49/89/61/460498961.db2.gz YZDXGBKUFWCTGW-AYBZRNKSSA-N 2 2 326.488 3.147 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000631665854 460498967 /nfs/dbraw/zinc/49/89/67/460498967.db2.gz YZDXGBKUFWCTGW-AYBZRNKSSA-N 2 2 326.488 3.147 20 0 EGADLP Fc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000629534404 460799422 /nfs/dbraw/zinc/79/94/22/460799422.db2.gz YJEJMDWGSVINES-KDOFPFPSSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000629534404 460799429 /nfs/dbraw/zinc/79/94/29/460799429.db2.gz YJEJMDWGSVINES-KDOFPFPSSA-N 2 2 329.419 3.445 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1C(F)(F)F ZINC000629561327 460808995 /nfs/dbraw/zinc/80/89/95/460808995.db2.gz HSPKDTDCFBICFY-DZGCQCFKSA-N 2 2 341.352 3.333 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1C(F)(F)F ZINC000629561327 460809001 /nfs/dbraw/zinc/80/90/01/460809001.db2.gz HSPKDTDCFBICFY-DZGCQCFKSA-N 2 2 341.352 3.333 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000629562443 460809710 /nfs/dbraw/zinc/80/97/10/460809710.db2.gz NPHBJBZLBBSSNG-NWDGAFQWSA-N 2 2 338.320 3.247 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000629562443 460809717 /nfs/dbraw/zinc/80/97/17/460809717.db2.gz NPHBJBZLBBSSNG-NWDGAFQWSA-N 2 2 338.320 3.247 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@H]1C(F)(F)F ZINC000629563442 460810375 /nfs/dbraw/zinc/81/03/75/460810375.db2.gz QHMDLWQSLPSPOS-DZGCQCFKSA-N 2 2 339.361 3.301 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)CC[C@H]1C(F)(F)F ZINC000629563442 460810384 /nfs/dbraw/zinc/81/03/84/460810384.db2.gz QHMDLWQSLPSPOS-DZGCQCFKSA-N 2 2 339.361 3.301 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563364 460810905 /nfs/dbraw/zinc/81/09/05/460810905.db2.gz PKWVXSUTRKODLA-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563364 460810911 /nfs/dbraw/zinc/81/09/11/460810911.db2.gz PKWVXSUTRKODLA-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563367 460811355 /nfs/dbraw/zinc/81/13/55/460811355.db2.gz PKWVXSUTRKODLA-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563367 460811358 /nfs/dbraw/zinc/81/13/58/460811358.db2.gz PKWVXSUTRKODLA-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477406 460818483 /nfs/dbraw/zinc/81/84/83/460818483.db2.gz SAMVNFGJWBDWJA-WMZOPIPTSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477406 460818491 /nfs/dbraw/zinc/81/84/91/460818491.db2.gz SAMVNFGJWBDWJA-WMZOPIPTSA-N 2 2 337.552 3.076 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000607358454 460831480 /nfs/dbraw/zinc/83/14/80/460831480.db2.gz GBIBDIZUNRRGOI-IBGZPJMESA-N 2 2 339.568 3.181 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000607358454 460831488 /nfs/dbraw/zinc/83/14/88/460831488.db2.gz GBIBDIZUNRRGOI-IBGZPJMESA-N 2 2 339.568 3.181 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000607358454 460831496 /nfs/dbraw/zinc/83/14/96/460831496.db2.gz GBIBDIZUNRRGOI-IBGZPJMESA-N 2 2 339.568 3.181 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358454 460831503 /nfs/dbraw/zinc/83/15/03/460831503.db2.gz GBIBDIZUNRRGOI-IBGZPJMESA-N 2 2 339.568 3.181 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1C(F)(F)F ZINC000629652702 460847184 /nfs/dbraw/zinc/84/71/84/460847184.db2.gz AOMTVMCKOSXUQK-AAEUAGOBSA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1C(F)(F)F ZINC000629652702 460847190 /nfs/dbraw/zinc/84/71/90/460847190.db2.gz AOMTVMCKOSXUQK-AAEUAGOBSA-N 2 2 344.406 3.097 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)ccc2n1C ZINC000635627321 460861295 /nfs/dbraw/zinc/86/12/95/460861295.db2.gz YSUOVJSENOCOIO-QGZVFWFLSA-N 2 2 325.416 3.304 20 0 EGADLP Cc1cccc(C[N@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000613382110 460929320 /nfs/dbraw/zinc/92/93/20/460929320.db2.gz LZDZMALICVLCAJ-IBGZPJMESA-N 2 2 337.467 3.454 20 0 EGADLP Cc1cccc(C[N@@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000613382110 460929327 /nfs/dbraw/zinc/92/93/27/460929327.db2.gz LZDZMALICVLCAJ-IBGZPJMESA-N 2 2 337.467 3.454 20 0 EGADLP Cc1cn2ccc(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)cc2[nH+]1 ZINC000635819866 460938792 /nfs/dbraw/zinc/93/87/92/460938792.db2.gz IUTTXUJIJCWMNR-UHFFFAOYSA-N 2 2 342.487 3.369 20 0 EGADLP CCOc1cncc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000621325730 460988399 /nfs/dbraw/zinc/98/83/99/460988399.db2.gz IQLUIENQNXIBBZ-FQEVSTJZSA-N 2 2 325.456 3.407 20 0 EGADLP C(c1nnc2n1CCCCC2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000624481333 461023218 /nfs/dbraw/zinc/02/32/18/461023218.db2.gz VYELGWOHGLUGPP-UHFFFAOYSA-N 2 2 345.535 3.093 20 0 EGADLP Clc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCO2 ZINC000608499812 461076598 /nfs/dbraw/zinc/07/65/98/461076598.db2.gz IKUGMWLAKQHNJH-AWEZNQCLSA-N 2 2 336.863 3.377 20 0 EGADLP Clc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCO2 ZINC000608499812 461076601 /nfs/dbraw/zinc/07/66/01/461076601.db2.gz IKUGMWLAKQHNJH-AWEZNQCLSA-N 2 2 336.863 3.377 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000608565350 461083904 /nfs/dbraw/zinc/08/39/04/461083904.db2.gz LTGYBVGEFBSNKU-HNNXBMFYSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000608565350 461083908 /nfs/dbraw/zinc/08/39/08/461083908.db2.gz LTGYBVGEFBSNKU-HNNXBMFYSA-N 2 2 349.906 3.030 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577971 461085321 /nfs/dbraw/zinc/08/53/21/461085321.db2.gz GLECIWLUFAPKAD-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577971 461085327 /nfs/dbraw/zinc/08/53/27/461085327.db2.gz GLECIWLUFAPKAD-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577971 461085332 /nfs/dbraw/zinc/08/53/32/461085332.db2.gz GLECIWLUFAPKAD-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577971 461085336 /nfs/dbraw/zinc/08/53/36/461085336.db2.gz GLECIWLUFAPKAD-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665554869 461124102 /nfs/dbraw/zinc/12/41/02/461124102.db2.gz UEUNTURBEBMKDL-HZPDHXFCSA-N 2 2 347.507 3.012 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665554869 461124110 /nfs/dbraw/zinc/12/41/10/461124110.db2.gz UEUNTURBEBMKDL-HZPDHXFCSA-N 2 2 347.507 3.012 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCC[NH2+]C3CCCCC3)cc2[nH+]1 ZINC000668154808 461139118 /nfs/dbraw/zinc/13/91/18/461139118.db2.gz WUJNTGBUJWMEBX-UHFFFAOYSA-N 2 2 329.448 3.077 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)cc2[nH+]1 ZINC000668158313 461144263 /nfs/dbraw/zinc/14/42/63/461144263.db2.gz PBOBKNLCGJXTRM-INIZCTEOSA-N 2 2 343.475 3.132 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)cc2[nH+]1 ZINC000668158313 461144273 /nfs/dbraw/zinc/14/42/73/461144273.db2.gz PBOBKNLCGJXTRM-INIZCTEOSA-N 2 2 343.475 3.132 20 0 EGADLP Fc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277127 461160865 /nfs/dbraw/zinc/16/08/65/461160865.db2.gz ROLFJJOYSZMYSJ-WFASDCNBSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277127 461160871 /nfs/dbraw/zinc/16/08/71/461160871.db2.gz ROLFJJOYSZMYSJ-WFASDCNBSA-N 2 2 328.378 3.391 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978944 461169905 /nfs/dbraw/zinc/16/99/05/461169905.db2.gz QOCAHLNMDNESGJ-MJGOQNOKSA-N 2 2 330.520 3.315 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978944 461169910 /nfs/dbraw/zinc/16/99/10/461169910.db2.gz QOCAHLNMDNESGJ-MJGOQNOKSA-N 2 2 330.520 3.315 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633673779 461189815 /nfs/dbraw/zinc/18/98/15/461189815.db2.gz SXANPCNGQWIOHQ-SFHVURJKSA-N 2 2 338.455 3.214 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633673779 461189820 /nfs/dbraw/zinc/18/98/20/461189820.db2.gz SXANPCNGQWIOHQ-SFHVURJKSA-N 2 2 338.455 3.214 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104268 461240504 /nfs/dbraw/zinc/24/05/04/461240504.db2.gz FXKBWENUSJMPJC-MRXNPFEDSA-N 2 2 336.451 3.293 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000638104268 461240507 /nfs/dbraw/zinc/24/05/07/461240507.db2.gz FXKBWENUSJMPJC-MRXNPFEDSA-N 2 2 336.451 3.293 20 0 EGADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000638120224 461252905 /nfs/dbraw/zinc/25/29/05/461252905.db2.gz YKHVZVOHFPLJFQ-INIZCTEOSA-N 2 2 328.431 3.133 20 0 EGADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000638120224 461252914 /nfs/dbraw/zinc/25/29/14/461252914.db2.gz YKHVZVOHFPLJFQ-INIZCTEOSA-N 2 2 328.431 3.133 20 0 EGADLP C[N@@H+]1CC[C@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000641469919 461259980 /nfs/dbraw/zinc/25/99/80/461259980.db2.gz UPRUHZKYWRPGTO-KDOFPFPSSA-N 2 2 349.837 3.471 20 0 EGADLP C[N@H+]1CC[C@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000641469919 461259990 /nfs/dbraw/zinc/25/99/90/461259990.db2.gz UPRUHZKYWRPGTO-KDOFPFPSSA-N 2 2 349.837 3.471 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000649680890 461270174 /nfs/dbraw/zinc/27/01/74/461270174.db2.gz BNXYUMNTZQNJJS-RCCFBDPRSA-N 2 2 326.488 3.175 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000649680890 461270181 /nfs/dbraw/zinc/27/01/81/461270181.db2.gz BNXYUMNTZQNJJS-RCCFBDPRSA-N 2 2 326.488 3.175 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144423 461270176 /nfs/dbraw/zinc/27/01/76/461270176.db2.gz CKNOXFXKFKAUPU-AEFFLSMTSA-N 2 2 341.455 3.361 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144423 461270186 /nfs/dbraw/zinc/27/01/86/461270186.db2.gz CKNOXFXKFKAUPU-AEFFLSMTSA-N 2 2 341.455 3.361 20 0 EGADLP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000655694096 461368215 /nfs/dbraw/zinc/36/82/15/461368215.db2.gz ZLPPHKUNAFUKLW-HXUWFJFHSA-N 3 2 349.563 3.018 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(N2CCCC2)c1 ZINC000655724466 461393622 /nfs/dbraw/zinc/39/36/22/461393622.db2.gz YLYJANXRPZEKLO-DYESRHJHSA-N 2 2 343.515 3.191 20 0 EGADLP Cc1cccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655730355 461399339 /nfs/dbraw/zinc/39/93/39/461399339.db2.gz OIDWSOKCRHXTIC-NHCUHLMSSA-N 2 2 328.500 3.159 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000655744861 461412079 /nfs/dbraw/zinc/41/20/79/461412079.db2.gz VKZPZGUUGUDHOE-UHFFFAOYSA-N 2 2 339.418 3.307 20 0 EGADLP OCC1CC[NH+](Cc2cccc(N[C@@H]3CCCn4cc[nH+]c43)c2)CC1 ZINC000655746327 461414005 /nfs/dbraw/zinc/41/40/05/461414005.db2.gz SIYYRYRRJQUEFC-LJQANCHMSA-N 2 2 340.471 3.034 20 0 EGADLP Fc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655752644 461418943 /nfs/dbraw/zinc/41/89/43/461418943.db2.gz NXTODVHCESQBHS-QFBILLFUSA-N 2 2 348.462 3.272 20 0 EGADLP C[C@H](C[NH2+]Cc1oc2ccccc2c1Br)C[NH+](C)C ZINC000655775734 461438405 /nfs/dbraw/zinc/43/84/05/461438405.db2.gz CNGIICNEOIWPLQ-LLVKDONJSA-N 2 2 325.250 3.483 20 0 EGADLP CC(C)CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653072621 461487717 /nfs/dbraw/zinc/48/77/17/461487717.db2.gz YDRGLLLRPUZIOO-DLBZAZTESA-N 2 2 339.911 3.213 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)sn1 ZINC000638567241 461488993 /nfs/dbraw/zinc/48/89/93/461488993.db2.gz KRJAGPKXHJDTSH-CQSZACIVSA-N 2 2 348.491 3.193 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000653084858 461493669 /nfs/dbraw/zinc/49/36/69/461493669.db2.gz VBWNGNDTIQYFKA-FQEVSTJZSA-N 2 2 339.483 3.079 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655848993 461495445 /nfs/dbraw/zinc/49/54/45/461495445.db2.gz NPJUUMMSEOFYPU-KURKYZTESA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655848993 461495452 /nfs/dbraw/zinc/49/54/52/461495452.db2.gz NPJUUMMSEOFYPU-KURKYZTESA-N 2 2 330.472 3.298 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848298 461496020 /nfs/dbraw/zinc/49/60/20/461496020.db2.gz DCXVIEFZHRKIDX-BHUNQDJPSA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848298 461496027 /nfs/dbraw/zinc/49/60/27/461496027.db2.gz DCXVIEFZHRKIDX-BHUNQDJPSA-N 2 2 332.492 3.265 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929850 461501619 /nfs/dbraw/zinc/50/16/19/461501619.db2.gz WRRLKYSEXGMXEU-UJMXGEILSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929850 461501629 /nfs/dbraw/zinc/50/16/29/461501629.db2.gz WRRLKYSEXGMXEU-UJMXGEILSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929850 461501634 /nfs/dbraw/zinc/50/16/34/461501634.db2.gz WRRLKYSEXGMXEU-UJMXGEILSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929850 461501639 /nfs/dbraw/zinc/50/16/39/461501639.db2.gz WRRLKYSEXGMXEU-UJMXGEILSA-N 2 2 347.547 3.020 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cnc21 ZINC000655858304 461506812 /nfs/dbraw/zinc/50/68/12/461506812.db2.gz XNNIROZYZQZRIT-ZWKOTPCHSA-N 2 2 327.476 3.119 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cnc21 ZINC000655858304 461506823 /nfs/dbraw/zinc/50/68/23/461506823.db2.gz XNNIROZYZQZRIT-ZWKOTPCHSA-N 2 2 327.476 3.119 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CS[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000638638905 461514514 /nfs/dbraw/zinc/51/45/14/461514514.db2.gz GYHDQYNLPYGIJK-SOLBZPMBSA-N 2 2 334.529 3.370 20 0 EGADLP COc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000638672407 461528063 /nfs/dbraw/zinc/52/80/63/461528063.db2.gz YCXKGSPOFYVBNA-DOMZBBRYSA-N 2 2 337.514 3.386 20 0 EGADLP COc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000638672407 461528071 /nfs/dbraw/zinc/52/80/71/461528071.db2.gz YCXKGSPOFYVBNA-DOMZBBRYSA-N 2 2 337.514 3.386 20 0 EGADLP COCCc1ncc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000631083335 461534671 /nfs/dbraw/zinc/53/46/71/461534671.db2.gz NRZYWPIWKKDYLV-UHFFFAOYSA-N 2 2 337.533 3.219 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2cn3c(cccc3C)[nH+]2)o1 ZINC000647262781 461599672 /nfs/dbraw/zinc/59/96/72/461599672.db2.gz PLUCCVCPKDLQPX-UHFFFAOYSA-N 2 2 335.411 3.267 20 0 EGADLP Cc1nc(NCCCNc2cccc[nH+]2)c(Br)c(C)[nH+]1 ZINC000663392934 461613436 /nfs/dbraw/zinc/61/34/36/461613436.db2.gz XQPPDINQHPBWMI-UHFFFAOYSA-N 2 2 336.237 3.165 20 0 EGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000656202067 461646333 /nfs/dbraw/zinc/64/63/33/461646333.db2.gz XBPRICFFURBVTK-JCGIZDLHSA-N 2 2 326.440 3.067 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000656248596 461672317 /nfs/dbraw/zinc/67/23/17/461672317.db2.gz WDWNFGWTAXHQMA-UHFFFAOYSA-N 2 2 326.488 3.405 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000656248596 461672324 /nfs/dbraw/zinc/67/23/24/461672324.db2.gz WDWNFGWTAXHQMA-UHFFFAOYSA-N 2 2 326.488 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262585 461688060 /nfs/dbraw/zinc/68/80/60/461688060.db2.gz WKWPSTLYOJXLRJ-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000656262585 461688070 /nfs/dbraw/zinc/68/80/70/461688070.db2.gz WKWPSTLYOJXLRJ-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262585 461688079 /nfs/dbraw/zinc/68/80/79/461688079.db2.gz WKWPSTLYOJXLRJ-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262585 461688086 /nfs/dbraw/zinc/68/80/86/461688086.db2.gz WKWPSTLYOJXLRJ-OXQOHEQNSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262586 461688304 /nfs/dbraw/zinc/68/83/04/461688304.db2.gz WKWPSTLYOJXLRJ-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000656262586 461688311 /nfs/dbraw/zinc/68/83/11/461688311.db2.gz WKWPSTLYOJXLRJ-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262586 461688315 /nfs/dbraw/zinc/68/83/15/461688315.db2.gz WKWPSTLYOJXLRJ-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262586 461688317 /nfs/dbraw/zinc/68/83/17/461688317.db2.gz WKWPSTLYOJXLRJ-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)C4([NH+](C)C)CC4)cc3)[nH+]c12 ZINC000666594332 461710989 /nfs/dbraw/zinc/71/09/89/461710989.db2.gz LGFFXPOJLIXVFA-UHFFFAOYSA-N 2 2 334.423 3.342 20 0 EGADLP Clc1ccc(-n2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cn2)cc1 ZINC000647483003 461729496 /nfs/dbraw/zinc/72/94/96/461729496.db2.gz QQJOXNLYFLNRGD-UHFFFAOYSA-N 2 2 330.863 3.242 20 0 EGADLP Clc1ccc(-n2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cn2)cc1 ZINC000647483003 461729501 /nfs/dbraw/zinc/72/95/01/461729501.db2.gz QQJOXNLYFLNRGD-UHFFFAOYSA-N 2 2 330.863 3.242 20 0 EGADLP CC[N@H+](CCCNC(=O)Cc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000650374464 461730081 /nfs/dbraw/zinc/73/00/81/461730081.db2.gz BLVOQDBJQSJBIH-UHFFFAOYSA-N 2 2 342.487 3.038 20 0 EGADLP CC[N@@H+](CCCNC(=O)Cc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000650374464 461730083 /nfs/dbraw/zinc/73/00/83/461730083.db2.gz BLVOQDBJQSJBIH-UHFFFAOYSA-N 2 2 342.487 3.038 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000643460888 461735662 /nfs/dbraw/zinc/73/56/62/461735662.db2.gz BQHNYTJXUXIZAJ-AUUYWEPGSA-N 2 2 341.430 3.166 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1OC(F)F ZINC000647498605 461736824 /nfs/dbraw/zinc/73/68/24/461736824.db2.gz KYMRNOVHPRQYHB-JSGCOSHPSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1OC(F)F ZINC000647498605 461736828 /nfs/dbraw/zinc/73/68/28/461736828.db2.gz KYMRNOVHPRQYHB-JSGCOSHPSA-N 2 2 328.403 3.246 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCO[C@@H]([C@@H](C)[NH3+])C3)ccc21 ZINC000647508507 461740397 /nfs/dbraw/zinc/74/03/97/461740397.db2.gz POTSSRSWKNWNSE-QVKFZJNVSA-N 2 2 337.467 3.362 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@H+]3CCO[C@@H]([C@@H](C)[NH3+])C3)ccc21 ZINC000647508507 461740401 /nfs/dbraw/zinc/74/04/01/461740401.db2.gz POTSSRSWKNWNSE-QVKFZJNVSA-N 2 2 337.467 3.362 20 0 EGADLP CCC1(O)CCC([NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000643474195 461741671 /nfs/dbraw/zinc/74/16/71/461741671.db2.gz NBEXPALQOPMMAY-UMIMFARRSA-N 2 2 332.488 3.162 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000653592338 461747361 /nfs/dbraw/zinc/74/73/61/461747361.db2.gz WCOPJZWZSIUCPS-OAHLLOKOSA-N 2 2 338.411 3.073 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000653592338 461747367 /nfs/dbraw/zinc/74/73/67/461747367.db2.gz WCOPJZWZSIUCPS-OAHLLOKOSA-N 2 2 338.411 3.073 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507272 461749013 /nfs/dbraw/zinc/74/90/13/461749013.db2.gz XWKSFMNPKXFWMF-AWEZNQCLSA-N 2 2 329.669 3.431 20 0 EGADLP Brc1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542832 461756617 /nfs/dbraw/zinc/75/66/17/461756617.db2.gz CNHPDEYEVOAUIU-VXGBXAGGSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542832 461756627 /nfs/dbraw/zinc/75/66/27/461756627.db2.gz CNHPDEYEVOAUIU-VXGBXAGGSA-N 2 2 344.322 3.117 20 0 EGADLP FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543775 461758882 /nfs/dbraw/zinc/75/88/82/461758882.db2.gz RTZZMZNQUXNZMX-RYUDHWBXSA-N 2 2 333.423 3.374 20 0 EGADLP FC(F)(F)c1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543775 461758888 /nfs/dbraw/zinc/75/88/88/461758888.db2.gz RTZZMZNQUXNZMX-RYUDHWBXSA-N 2 2 333.423 3.374 20 0 EGADLP COC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1F ZINC000643548938 461760522 /nfs/dbraw/zinc/76/05/22/461760522.db2.gz XTCALBFNDKMGIK-IUODEOHRSA-N 2 2 326.843 3.431 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000647550492 461762453 /nfs/dbraw/zinc/76/24/53/461762453.db2.gz UDRYCMOMMOPDTQ-NCXUSEDFSA-N 3 2 347.572 3.499 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn21 ZINC000647553491 461763883 /nfs/dbraw/zinc/76/38/83/461763883.db2.gz BGJAJWBSULHZCE-AZUAARDMSA-N 3 2 334.467 3.268 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCCn3cc[nH+]c3)ccc21 ZINC000653618895 461763970 /nfs/dbraw/zinc/76/39/70/461763970.db2.gz QHDNBQACZMIFPF-GOSISDBHSA-N 2 2 341.459 3.034 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(OC)cccc1OC ZINC000639176681 461782029 /nfs/dbraw/zinc/78/20/29/461782029.db2.gz IZDBNMMYONDAJK-UHFFFAOYSA-N 2 2 331.460 3.375 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(OC)cccc1OC ZINC000639176681 461782035 /nfs/dbraw/zinc/78/20/35/461782035.db2.gz IZDBNMMYONDAJK-UHFFFAOYSA-N 2 2 331.460 3.375 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000639179715 461784999 /nfs/dbraw/zinc/78/49/99/461784999.db2.gz UPSFPMCDNPLIGJ-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000639179715 461785006 /nfs/dbraw/zinc/78/50/06/461785006.db2.gz UPSFPMCDNPLIGJ-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000639179715 461785011 /nfs/dbraw/zinc/78/50/11/461785011.db2.gz UPSFPMCDNPLIGJ-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000639179715 461785016 /nfs/dbraw/zinc/78/50/16/461785016.db2.gz UPSFPMCDNPLIGJ-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP Brc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c2ncccc12 ZINC000666770134 461795695 /nfs/dbraw/zinc/79/56/95/461795695.db2.gz MJWRJAAYJRIZBO-CYBMUJFWSA-N 2 2 334.261 3.229 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+](CC(C)(C)O)CC3)cc2)c1C ZINC000639198873 461797541 /nfs/dbraw/zinc/79/75/41/461797541.db2.gz STADIQUZMHZVJE-UHFFFAOYSA-N 2 2 342.487 3.136 20 0 EGADLP CC[C@H](OCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000653690390 461809574 /nfs/dbraw/zinc/80/95/74/461809574.db2.gz SYSHUGOEZIJILK-NQIIRXRSSA-N 2 2 346.515 3.339 20 0 EGADLP CC[C@H](OCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000653690390 461809578 /nfs/dbraw/zinc/80/95/78/461809578.db2.gz SYSHUGOEZIJILK-NQIIRXRSSA-N 2 2 346.515 3.339 20 0 EGADLP c1c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)onc1C1CC1 ZINC000660529962 461834783 /nfs/dbraw/zinc/83/47/83/461834783.db2.gz FDGOMGQZKNKRND-UHFFFAOYSA-N 2 2 334.423 3.422 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695375 461844993 /nfs/dbraw/zinc/84/49/93/461844993.db2.gz HTOJLGLNHMBMSE-UKRRQHHQSA-N 2 2 330.419 3.030 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695375 461845002 /nfs/dbraw/zinc/84/50/02/461845002.db2.gz HTOJLGLNHMBMSE-UKRRQHHQSA-N 2 2 330.419 3.030 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1cccs1 ZINC000647815279 461849120 /nfs/dbraw/zinc/84/91/20/461849120.db2.gz WYWMWQQFZWRURF-SFHVURJKSA-N 2 2 349.544 3.168 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1cccs1 ZINC000647815279 461849124 /nfs/dbraw/zinc/84/91/24/461849124.db2.gz WYWMWQQFZWRURF-SFHVURJKSA-N 2 2 349.544 3.168 20 0 EGADLP O=C(CC[N@@H+]1CCn2c[nH+]cc2C1)Nc1c(Cl)cccc1Cl ZINC000660580064 461864396 /nfs/dbraw/zinc/86/43/96/461864396.db2.gz DSLAVDFFXLNOMS-UHFFFAOYSA-N 2 2 339.226 3.034 20 0 EGADLP O=C(CC[N@H+]1CCn2c[nH+]cc2C1)Nc1c(Cl)cccc1Cl ZINC000660580064 461864403 /nfs/dbraw/zinc/86/44/03/461864403.db2.gz DSLAVDFFXLNOMS-UHFFFAOYSA-N 2 2 339.226 3.034 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358732 461881359 /nfs/dbraw/zinc/88/13/59/461881359.db2.gz AOQTVTGJWXGKLJ-YJBOKZPZSA-N 2 2 325.456 3.410 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358732 461881365 /nfs/dbraw/zinc/88/13/65/461881365.db2.gz AOQTVTGJWXGKLJ-YJBOKZPZSA-N 2 2 325.456 3.410 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc2ccccc2c1 ZINC000647925515 461889163 /nfs/dbraw/zinc/88/91/63/461889163.db2.gz LZZSIVBVGCEIFT-HOTGVXAUSA-N 2 2 339.483 3.219 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000639372042 461892147 /nfs/dbraw/zinc/89/21/47/461892147.db2.gz WJWPTTMYBXIVPZ-VNQPRFMTSA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000639372042 461892156 /nfs/dbraw/zinc/89/21/56/461892156.db2.gz WJWPTTMYBXIVPZ-VNQPRFMTSA-N 2 2 329.271 3.071 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000647944131 461897793 /nfs/dbraw/zinc/89/77/93/461897793.db2.gz PTODXFFVQFHOQN-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000647944131 461897800 /nfs/dbraw/zinc/89/78/00/461897800.db2.gz PTODXFFVQFHOQN-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656723 461908806 /nfs/dbraw/zinc/90/88/06/461908806.db2.gz WVZWSTYYDPXISW-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656723 461908813 /nfs/dbraw/zinc/90/88/13/461908813.db2.gz WVZWSTYYDPXISW-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656723 461908818 /nfs/dbraw/zinc/90/88/18/461908818.db2.gz WVZWSTYYDPXISW-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656723 461908826 /nfs/dbraw/zinc/90/88/26/461908826.db2.gz WVZWSTYYDPXISW-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657612 461909751 /nfs/dbraw/zinc/90/97/51/461909751.db2.gz YLYHQTYYENRRGA-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657612 461909754 /nfs/dbraw/zinc/90/97/54/461909754.db2.gz YLYHQTYYENRRGA-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657612 461909756 /nfs/dbraw/zinc/90/97/56/461909756.db2.gz YLYHQTYYENRRGA-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657612 461909758 /nfs/dbraw/zinc/90/97/58/461909758.db2.gz YLYHQTYYENRRGA-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP COc1ccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660673818 461918286 /nfs/dbraw/zinc/91/82/86/461918286.db2.gz GRNZJQJNUZZYGR-UHFFFAOYSA-N 2 2 340.467 3.328 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)co2)c1 ZINC000639514689 461963527 /nfs/dbraw/zinc/96/35/27/461963527.db2.gz PNAPDUFULSIKHA-UHFFFAOYSA-N 2 2 338.411 3.384 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511649 461963657 /nfs/dbraw/zinc/96/36/57/461963657.db2.gz RCQQIQHSOQNSGA-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511649 461963662 /nfs/dbraw/zinc/96/36/62/461963662.db2.gz RCQQIQHSOQNSGA-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511649 461963666 /nfs/dbraw/zinc/96/36/66/461963666.db2.gz RCQQIQHSOQNSGA-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511649 461963669 /nfs/dbraw/zinc/96/36/69/461963669.db2.gz RCQQIQHSOQNSGA-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000644523397 461969432 /nfs/dbraw/zinc/96/94/32/461969432.db2.gz ZROYYIHQCNTDMY-NRFANRHFSA-N 2 2 335.451 3.015 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000644536002 461975849 /nfs/dbraw/zinc/97/58/49/461975849.db2.gz CYXZTCCAXVQKAD-MRXNPFEDSA-N 2 2 336.838 3.062 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000644536002 461975855 /nfs/dbraw/zinc/97/58/55/461975855.db2.gz CYXZTCCAXVQKAD-MRXNPFEDSA-N 2 2 336.838 3.062 20 0 EGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000644537209 461976113 /nfs/dbraw/zinc/97/61/13/461976113.db2.gz SXNROWBBROTHOY-DBVUQKKJSA-N 2 2 332.463 3.367 20 0 EGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000644537209 461976120 /nfs/dbraw/zinc/97/61/20/461976120.db2.gz SXNROWBBROTHOY-DBVUQKKJSA-N 2 2 332.463 3.367 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000644569460 461989924 /nfs/dbraw/zinc/98/99/24/461989924.db2.gz QVOYIRXSBLWZQM-HZPDHXFCSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852002 461994778 /nfs/dbraw/zinc/99/47/78/461994778.db2.gz CNZCOCRIAGTYAC-CQSZACIVSA-N 2 2 342.487 3.121 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000660853682 461997174 /nfs/dbraw/zinc/99/71/74/461997174.db2.gz FGNRNZNUHMYRLM-LBPRGKRZSA-N 2 2 325.416 3.270 20 0 EGADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853376 461997438 /nfs/dbraw/zinc/99/74/38/461997438.db2.gz WQBMGMWQZPVRMQ-CABCVRRESA-N 2 2 342.487 3.121 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000667222830 462001277 /nfs/dbraw/zinc/00/12/77/462001277.db2.gz DKPLQIIXWICQAG-QGZVFWFLSA-N 2 2 341.459 3.176 20 0 EGADLP FC(F)Oc1ccc(Cl)cc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657382816 462086592 /nfs/dbraw/zinc/08/65/92/462086592.db2.gz LTGALUFFRIBASA-UHFFFAOYSA-N 2 2 327.762 3.374 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644843149 462102419 /nfs/dbraw/zinc/10/24/19/462102419.db2.gz VRQQAOKGVZSDMA-HXUWFJFHSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000644843149 462102423 /nfs/dbraw/zinc/10/24/23/462102423.db2.gz VRQQAOKGVZSDMA-HXUWFJFHSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644843149 462102426 /nfs/dbraw/zinc/10/24/26/462102426.db2.gz VRQQAOKGVZSDMA-HXUWFJFHSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000644843149 462102429 /nfs/dbraw/zinc/10/24/29/462102429.db2.gz VRQQAOKGVZSDMA-HXUWFJFHSA-N 2 2 340.471 3.048 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000648408510 462104938 /nfs/dbraw/zinc/10/49/38/462104938.db2.gz ZYWIGORELGSMDO-NLWGTHIKSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1ccc(C[NH+]2CCOCC2)cc1NCc1[nH+]ccn1C(C)C ZINC000657410198 462105195 /nfs/dbraw/zinc/10/51/95/462105195.db2.gz ADXRSMYAMKUQJN-UHFFFAOYSA-N 2 2 328.460 3.217 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667532999 462130031 /nfs/dbraw/zinc/13/00/31/462130031.db2.gz BSVWBMMACCNCEJ-NVXWUHKLSA-N 2 2 329.444 3.203 20 0 EGADLP Cc1c[nH]c(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)[nH+]1 ZINC000657449137 462131659 /nfs/dbraw/zinc/13/16/59/462131659.db2.gz ZMURNRFYHVVARG-UHFFFAOYSA-N 2 2 327.476 3.169 20 0 EGADLP Cc1cc(NCC2CC[NH+](CC3CC3)CC2)nc(-c2cccnc2)[nH+]1 ZINC000664647333 462137618 /nfs/dbraw/zinc/13/76/18/462137618.db2.gz OAZGMMVTQPYWQB-UHFFFAOYSA-N 2 2 337.471 3.381 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657462610 462139800 /nfs/dbraw/zinc/13/98/00/462139800.db2.gz WCDMSYJBSVLRCV-LJQANCHMSA-N 2 2 338.499 3.220 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657462610 462139804 /nfs/dbraw/zinc/13/98/04/462139804.db2.gz WCDMSYJBSVLRCV-LJQANCHMSA-N 2 2 338.499 3.220 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657468690 462142376 /nfs/dbraw/zinc/14/23/76/462142376.db2.gz AVORPPRNOQTCSD-IBGZPJMESA-N 3 2 338.499 3.221 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657468690 462142380 /nfs/dbraw/zinc/14/23/80/462142380.db2.gz AVORPPRNOQTCSD-IBGZPJMESA-N 3 2 338.499 3.221 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000654314534 462157995 /nfs/dbraw/zinc/15/79/95/462157995.db2.gz NTZUBPUFYYPECK-KSZLIROESA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000654314534 462157998 /nfs/dbraw/zinc/15/79/98/462157998.db2.gz NTZUBPUFYYPECK-KSZLIROESA-N 2 2 349.906 3.076 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667587327 462161268 /nfs/dbraw/zinc/16/12/68/462161268.db2.gz NSDYKZYQEPFAIW-AEFFLSMTSA-N 2 2 329.444 3.134 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667587327 462161273 /nfs/dbraw/zinc/16/12/73/462161273.db2.gz NSDYKZYQEPFAIW-AEFFLSMTSA-N 2 2 329.444 3.134 20 0 EGADLP COc1cc(C[N@H+](C)Cc2c[nH+]c(C)n2C)c(SC)cc1OC ZINC000667664392 462197140 /nfs/dbraw/zinc/19/71/40/462197140.db2.gz JUFFHYIJYAKPTF-UHFFFAOYSA-N 2 2 335.473 3.100 20 0 EGADLP COc1cc(C[N@@H+](C)Cc2c[nH+]c(C)n2C)c(SC)cc1OC ZINC000667664392 462197145 /nfs/dbraw/zinc/19/71/45/462197145.db2.gz JUFFHYIJYAKPTF-UHFFFAOYSA-N 2 2 335.473 3.100 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H](CNc4cccc(C)[nH+]4)C3)c2c1C ZINC000645148052 462202918 /nfs/dbraw/zinc/20/29/18/462202918.db2.gz VOEPUHYIHJXMSQ-OAHLLOKOSA-N 2 2 336.443 3.217 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667699962 462221830 /nfs/dbraw/zinc/22/18/30/462221830.db2.gz OOPNHIGFSJJRLJ-LRDDRELGSA-N 2 2 349.276 3.432 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000667699962 462221836 /nfs/dbraw/zinc/22/18/36/462221836.db2.gz OOPNHIGFSJJRLJ-LRDDRELGSA-N 2 2 349.276 3.432 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667736889 462239971 /nfs/dbraw/zinc/23/99/71/462239971.db2.gz WIKFFPQBMNSLAE-AWEZNQCLSA-N 2 2 344.484 3.118 20 0 EGADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000657772789 462259148 /nfs/dbraw/zinc/25/91/48/462259148.db2.gz IIOYQFTYFXLUEG-JMSVASOKSA-N 2 2 329.271 3.243 20 0 EGADLP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000657772789 462259153 /nfs/dbraw/zinc/25/91/53/462259153.db2.gz IIOYQFTYFXLUEG-JMSVASOKSA-N 2 2 329.271 3.243 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000648759314 462265592 /nfs/dbraw/zinc/26/55/92/462265592.db2.gz YNNILILTNFRDLM-YJBOKZPZSA-N 2 2 340.452 3.339 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657794981 462268986 /nfs/dbraw/zinc/26/89/86/462268986.db2.gz AHXNJKOMAMRBDD-WMLDXEAASA-N 2 2 344.421 3.157 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648779967 462275253 /nfs/dbraw/zinc/27/52/53/462275253.db2.gz OUQZAXVLNZWXBC-UYAOXDASSA-N 2 2 349.563 3.386 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648779967 462275258 /nfs/dbraw/zinc/27/52/58/462275258.db2.gz OUQZAXVLNZWXBC-UYAOXDASSA-N 2 2 349.563 3.386 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000657821000 462282950 /nfs/dbraw/zinc/28/29/50/462282950.db2.gz YCAADNGKXBNFSL-HUUCEWRRSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)on1 ZINC000657821000 462282958 /nfs/dbraw/zinc/28/29/58/462282958.db2.gz YCAADNGKXBNFSL-HUUCEWRRSA-N 2 2 327.428 3.067 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000651651303 462290499 /nfs/dbraw/zinc/29/04/99/462290499.db2.gz SJZUHZXQVZLPEA-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000651651303 462290504 /nfs/dbraw/zinc/29/05/04/462290504.db2.gz SJZUHZXQVZLPEA-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000651651303 462290509 /nfs/dbraw/zinc/29/05/09/462290509.db2.gz SJZUHZXQVZLPEA-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000651651303 462290513 /nfs/dbraw/zinc/29/05/13/462290513.db2.gz SJZUHZXQVZLPEA-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCC3CCCCCC3)CC2)CC1 ZINC000654657433 462324888 /nfs/dbraw/zinc/32/48/88/462324888.db2.gz GSDOYTPQZOMCIL-UHFFFAOYSA-N 2 2 349.563 3.412 20 0 EGADLP Cc1ccc(CCC[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c[nH+]1 ZINC000651874570 462364326 /nfs/dbraw/zinc/36/43/26/462364326.db2.gz CDMHYQYLZVTPBK-OAQYLSRUSA-N 2 2 349.478 3.028 20 0 EGADLP Cc1ccc(CCC[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c[nH+]1 ZINC000651874570 462364330 /nfs/dbraw/zinc/36/43/30/462364330.db2.gz CDMHYQYLZVTPBK-OAQYLSRUSA-N 2 2 349.478 3.028 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)c(Br)c1 ZINC000665248438 462367159 /nfs/dbraw/zinc/36/71/59/462367159.db2.gz WZCXSRVYTCVNHD-LLVKDONJSA-N 2 2 327.266 3.380 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290029 462387315 /nfs/dbraw/zinc/38/73/15/462387315.db2.gz GBRMBLVVAJEPHF-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290029 462387324 /nfs/dbraw/zinc/38/73/24/462387324.db2.gz GBRMBLVVAJEPHF-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290029 462387328 /nfs/dbraw/zinc/38/73/28/462387328.db2.gz GBRMBLVVAJEPHF-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290029 462387335 /nfs/dbraw/zinc/38/73/35/462387335.db2.gz GBRMBLVVAJEPHF-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661736224 462389273 /nfs/dbraw/zinc/38/92/73/462389273.db2.gz NHUQWJLPMCYXIA-SFHVURJKSA-N 2 2 331.435 3.344 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661736224 462389279 /nfs/dbraw/zinc/38/92/79/462389279.db2.gz NHUQWJLPMCYXIA-SFHVURJKSA-N 2 2 331.435 3.344 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000665296610 462390106 /nfs/dbraw/zinc/39/01/06/462390106.db2.gz VIWPSRIOEIUAFE-SWLSCSKDSA-N 2 2 329.282 3.114 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@@]3(C)CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000652038308 462413484 /nfs/dbraw/zinc/41/34/84/462413484.db2.gz POFHWCNMOYRMPT-FQEVSTJZSA-N 2 2 335.455 3.021 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000652038308 462413491 /nfs/dbraw/zinc/41/34/91/462413491.db2.gz POFHWCNMOYRMPT-FQEVSTJZSA-N 2 2 335.455 3.021 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286782 462455550 /nfs/dbraw/zinc/45/55/50/462455550.db2.gz VBUAHJLMNYINHM-HZPDHXFCSA-N 2 2 336.476 3.237 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000658286782 462455555 /nfs/dbraw/zinc/45/55/55/462455555.db2.gz VBUAHJLMNYINHM-HZPDHXFCSA-N 2 2 336.476 3.237 20 0 EGADLP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000645885737 462456833 /nfs/dbraw/zinc/45/68/33/462456833.db2.gz BZOSBGLJMCZUEK-GHTZIAJQSA-N 2 2 338.499 3.136 20 0 EGADLP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000645885737 462456836 /nfs/dbraw/zinc/45/68/36/462456836.db2.gz BZOSBGLJMCZUEK-GHTZIAJQSA-N 2 2 338.499 3.136 20 0 EGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295151 462461731 /nfs/dbraw/zinc/46/17/31/462461731.db2.gz KUJMRJFQYAXBQG-CZUORRHYSA-N 2 2 338.879 3.253 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1Oc1cc[nH+]cc1 ZINC000655051498 462465782 /nfs/dbraw/zinc/46/57/82/462465782.db2.gz CVKXCJYWNOUONC-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1Oc1cc[nH+]cc1 ZINC000655051498 462465785 /nfs/dbraw/zinc/46/57/85/462465785.db2.gz CVKXCJYWNOUONC-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658312258 462472518 /nfs/dbraw/zinc/47/25/18/462472518.db2.gz SCZGJDYDSZSMGN-UZLBHIALSA-N 2 2 343.471 3.091 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000658327373 462478035 /nfs/dbraw/zinc/47/80/35/462478035.db2.gz BLSPGSZGDVCEDT-FQEVSTJZSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104311 462518555 /nfs/dbraw/zinc/51/85/55/462518555.db2.gz JQBVHTFMXOZEFJ-MRXNPFEDSA-N 2 2 341.455 3.199 20 0 EGADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104311 462518559 /nfs/dbraw/zinc/51/85/59/462518559.db2.gz JQBVHTFMXOZEFJ-MRXNPFEDSA-N 2 2 341.455 3.199 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2(CCCC2)O1 ZINC000646135149 462524578 /nfs/dbraw/zinc/52/45/78/462524578.db2.gz DXLOUTCCIHNEEF-GOSISDBHSA-N 2 2 344.499 3.052 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2(CCCC2)O1 ZINC000646135149 462524579 /nfs/dbraw/zinc/52/45/79/462524579.db2.gz DXLOUTCCIHNEEF-GOSISDBHSA-N 2 2 344.499 3.052 20 0 EGADLP CCc1cc(NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)nc[nH+]1 ZINC000603388364 479367624 /nfs/dbraw/zinc/36/76/24/479367624.db2.gz ATTWAUUVYWEUIX-UHFFFAOYSA-N 2 2 340.471 3.372 20 0 EGADLP C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000187802685 534079178 /nfs/dbraw/zinc/07/91/78/534079178.db2.gz QRDZWOYHFFCUQO-MAUKXSAKSA-N 2 2 330.451 3.350 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890332 527819873 /nfs/dbraw/zinc/81/98/73/527819873.db2.gz ICLTZISYCBOUAQ-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890332 527819877 /nfs/dbraw/zinc/81/98/77/527819877.db2.gz ICLTZISYCBOUAQ-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890332 527819882 /nfs/dbraw/zinc/81/98/82/527819882.db2.gz ICLTZISYCBOUAQ-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890332 527819886 /nfs/dbraw/zinc/81/98/86/527819886.db2.gz ICLTZISYCBOUAQ-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173907991 527820101 /nfs/dbraw/zinc/82/01/01/527820101.db2.gz ZLSUANCOLZCURM-BBRMVZONSA-N 2 2 330.394 3.012 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173907991 527820105 /nfs/dbraw/zinc/82/01/05/527820105.db2.gz ZLSUANCOLZCURM-BBRMVZONSA-N 2 2 330.394 3.012 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173907991 527820110 /nfs/dbraw/zinc/82/01/10/527820110.db2.gz ZLSUANCOLZCURM-BBRMVZONSA-N 2 2 330.394 3.012 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000173907991 527820116 /nfs/dbraw/zinc/82/01/16/527820116.db2.gz ZLSUANCOLZCURM-BBRMVZONSA-N 2 2 330.394 3.012 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000174957698 527835098 /nfs/dbraw/zinc/83/50/98/527835098.db2.gz SBWKAELPFKLOBC-SFHVURJKSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000174957698 527835101 /nfs/dbraw/zinc/83/51/01/527835101.db2.gz SBWKAELPFKLOBC-SFHVURJKSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000174957698 527835103 /nfs/dbraw/zinc/83/51/03/527835103.db2.gz SBWKAELPFKLOBC-SFHVURJKSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000174957698 527835107 /nfs/dbraw/zinc/83/51/07/527835107.db2.gz SBWKAELPFKLOBC-SFHVURJKSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cncc(Br)c2)CC1 ZINC000171940692 528195520 /nfs/dbraw/zinc/19/55/20/528195520.db2.gz FHJXFPAUECUSSL-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cncc(Br)c2)CC1 ZINC000171940692 528195522 /nfs/dbraw/zinc/19/55/22/528195522.db2.gz FHJXFPAUECUSSL-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CCn1cccn1 ZINC000346631000 534986380 /nfs/dbraw/zinc/98/63/80/534986380.db2.gz ZVECQRYPNOPMHA-ICSRJNTNSA-N 2 2 328.504 3.408 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CCn1cccn1 ZINC000346631000 534986383 /nfs/dbraw/zinc/98/63/83/534986383.db2.gz ZVECQRYPNOPMHA-ICSRJNTNSA-N 2 2 328.504 3.408 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000369646655 535074575 /nfs/dbraw/zinc/07/45/75/535074575.db2.gz IKUUXFFYTABMOT-ZWOKBUDYSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000369646655 535074580 /nfs/dbraw/zinc/07/45/80/535074580.db2.gz IKUUXFFYTABMOT-ZWOKBUDYSA-N 2 2 345.531 3.180 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000356254962 535250610 /nfs/dbraw/zinc/25/06/10/535250610.db2.gz HQVGNCJRECXSER-QAPCUYQASA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000356254962 535250615 /nfs/dbraw/zinc/25/06/15/535250615.db2.gz HQVGNCJRECXSER-QAPCUYQASA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000356254962 535250616 /nfs/dbraw/zinc/25/06/16/535250616.db2.gz HQVGNCJRECXSER-QAPCUYQASA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000356254962 535250622 /nfs/dbraw/zinc/25/06/22/535250622.db2.gz HQVGNCJRECXSER-QAPCUYQASA-N 2 2 349.544 3.299 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000356284457 535828980 /nfs/dbraw/zinc/82/89/80/535828980.db2.gz PMWKUDRUAJKBRR-QFBILLFUSA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000356284457 535828986 /nfs/dbraw/zinc/82/89/86/535828986.db2.gz PMWKUDRUAJKBRR-QFBILLFUSA-N 2 2 326.488 3.125 20 0 EGADLP Cn1cc[nH+]c1[C@@H](Nc1cccc(OCCC[NH+](C)C)c1)C1CC1 ZINC000129057221 546784641 /nfs/dbraw/zinc/78/46/41/546784641.db2.gz OBDMTCUMIOBPFO-SFHVURJKSA-N 2 2 328.460 3.314 20 0 EGADLP CN(C)c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]c1 ZINC000150916457 546848870 /nfs/dbraw/zinc/84/88/70/546848870.db2.gz QDSBAWOXZJEBSO-UHFFFAOYSA-N 2 2 340.471 3.234 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)c1 ZINC000154872389 546895839 /nfs/dbraw/zinc/89/58/39/546895839.db2.gz LSXVXJJFVZIJAZ-UTKZUKDTSA-N 3 2 345.531 3.152 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166223672 546987055 /nfs/dbraw/zinc/98/70/55/546987055.db2.gz MPAKTDGQQADNSE-WOJBJXKFSA-N 3 2 331.479 3.007 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166223672 546987058 /nfs/dbraw/zinc/98/70/58/546987058.db2.gz MPAKTDGQQADNSE-WOJBJXKFSA-N 3 2 331.479 3.007 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166626950 546989243 /nfs/dbraw/zinc/98/92/43/546989243.db2.gz YHXAFNJHSSXPJX-JRGCBEDISA-N 3 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166626950 546989247 /nfs/dbraw/zinc/98/92/47/546989247.db2.gz YHXAFNJHSSXPJX-JRGCBEDISA-N 3 2 327.516 3.428 20 0 EGADLP O=C1Nc2ccccc2CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000388090686 547825000 /nfs/dbraw/zinc/82/50/00/547825000.db2.gz VUGWOJYRFUNSTK-OAQYLSRUSA-N 2 2 349.478 3.194 20 0 EGADLP C[C@H](CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838893 547928419 /nfs/dbraw/zinc/92/84/19/547928419.db2.gz FOYIYSXYVNAMEN-KURKYZTESA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[N@H+]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838893 547928427 /nfs/dbraw/zinc/92/84/27/547928427.db2.gz FOYIYSXYVNAMEN-KURKYZTESA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@@H](C(C)(C)C)C1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838893 547928430 /nfs/dbraw/zinc/92/84/30/547928430.db2.gz FOYIYSXYVNAMEN-KURKYZTESA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@@H](C(C)(C)C)C1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838893 547928437 /nfs/dbraw/zinc/92/84/37/547928437.db2.gz FOYIYSXYVNAMEN-KURKYZTESA-N 2 2 340.552 3.259 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985393 548243192 /nfs/dbraw/zinc/24/31/92/548243192.db2.gz BLXVNWQEOFFLGR-AZUAARDMSA-N 2 2 332.463 3.390 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985393 548243194 /nfs/dbraw/zinc/24/31/94/548243194.db2.gz BLXVNWQEOFFLGR-AZUAARDMSA-N 2 2 332.463 3.390 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671242672 548266272 /nfs/dbraw/zinc/26/62/72/548266272.db2.gz DBBNQJMQUDMGKO-KXBFYZLASA-N 2 2 343.471 3.233 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671242672 548266276 /nfs/dbraw/zinc/26/62/76/548266276.db2.gz DBBNQJMQUDMGKO-KXBFYZLASA-N 2 2 343.471 3.233 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000675155210 548856248 /nfs/dbraw/zinc/85/62/48/548856248.db2.gz DPHQTZCTPZPWJF-UHFFFAOYSA-N 2 2 348.516 3.066 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC000675881703 548996470 /nfs/dbraw/zinc/99/64/70/548996470.db2.gz MRZOFEXLKWNTKD-DOTOQJQBSA-N 2 2 336.863 3.007 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000675926114 549005725 /nfs/dbraw/zinc/00/57/25/549005725.db2.gz KFUYQWKEITYHIN-RDJZCZTQSA-N 2 2 344.528 3.352 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000675926114 549005727 /nfs/dbraw/zinc/00/57/27/549005727.db2.gz KFUYQWKEITYHIN-RDJZCZTQSA-N 2 2 344.528 3.352 20 0 EGADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccc(Cl)cc1 ZINC000677737164 549324378 /nfs/dbraw/zinc/32/43/78/549324378.db2.gz MLTPWGMSFHYSLE-UHFFFAOYSA-N 2 2 344.846 3.250 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678221002 549428656 /nfs/dbraw/zinc/42/86/56/549428656.db2.gz XDGDADKYVCGJFC-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678221002 549428660 /nfs/dbraw/zinc/42/86/60/549428660.db2.gz XDGDADKYVCGJFC-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584336 549524305 /nfs/dbraw/zinc/52/43/05/549524305.db2.gz RZNHLTFJYJWMJC-CXAGYDPISA-N 2 2 337.305 3.454 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584336 549524310 /nfs/dbraw/zinc/52/43/10/549524310.db2.gz RZNHLTFJYJWMJC-CXAGYDPISA-N 2 2 337.305 3.454 20 0 EGADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678770557 549558190 /nfs/dbraw/zinc/55/81/90/549558190.db2.gz HEYRUHNPDIYLJV-RXVVDRJESA-N 2 2 326.484 3.447 20 0 EGADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678770557 549558194 /nfs/dbraw/zinc/55/81/94/549558194.db2.gz HEYRUHNPDIYLJV-RXVVDRJESA-N 2 2 326.484 3.447 20 0 EGADLP Oc1cccc2c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c12 ZINC000682238734 550085578 /nfs/dbraw/zinc/08/55/78/550085578.db2.gz QVJLOTZZXCARRS-IBGZPJMESA-N 2 2 349.434 3.426 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643840 550125470 /nfs/dbraw/zinc/12/54/70/550125470.db2.gz QXLGDXLUGFXDJG-PMACEKPBSA-N 2 2 340.515 3.414 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643840 550125473 /nfs/dbraw/zinc/12/54/73/550125473.db2.gz QXLGDXLUGFXDJG-PMACEKPBSA-N 2 2 340.515 3.414 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000684667282 550353483 /nfs/dbraw/zinc/35/34/83/550353483.db2.gz YAVKLYBDTSRTRF-DLBZAZTESA-N 2 2 347.507 3.014 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000685079316 550398244 /nfs/dbraw/zinc/39/82/44/550398244.db2.gz FIMDXGCPAVWPOC-QAPCUYQASA-N 2 2 349.438 3.119 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000685079316 550398245 /nfs/dbraw/zinc/39/82/45/550398245.db2.gz FIMDXGCPAVWPOC-QAPCUYQASA-N 2 2 349.438 3.119 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000732275882 575252958 /nfs/dbraw/zinc/25/29/58/575252958.db2.gz QEQVCLCDTDWCBF-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000732275882 575252960 /nfs/dbraw/zinc/25/29/60/575252960.db2.gz QEQVCLCDTDWCBF-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP CC[NH+](CC)[C@H](CNc1nc(N2CCCC2)cc[nH+]1)c1ccco1 ZINC000733189070 575318711 /nfs/dbraw/zinc/31/87/11/575318711.db2.gz YUYOTUFYBWPGSN-OAHLLOKOSA-N 2 2 329.448 3.165 20 0 EGADLP c1cc(-c2nc3ccccc3s2)oc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343686 576167686 /nfs/dbraw/zinc/16/76/86/576167686.db2.gz XBXCLMZMZVQOML-CHWSQXEVSA-N 2 2 325.437 3.208 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855655 576817138 /nfs/dbraw/zinc/81/71/38/576817138.db2.gz VJIMICBXJLCHQL-QUCCMNQESA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855655 576817139 /nfs/dbraw/zinc/81/71/39/576817139.db2.gz VJIMICBXJLCHQL-QUCCMNQESA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@H]([NH+](C)CC[C@H]3CCCC[N@@H+]3C)C2=O)cc1 ZINC000743855655 576817140 /nfs/dbraw/zinc/81/71/40/576817140.db2.gz VJIMICBXJLCHQL-QUCCMNQESA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@H]([NH+](C)CC[C@H]3CCCC[N@H+]3C)C2=O)cc1 ZINC000743855655 576817141 /nfs/dbraw/zinc/81/71/41/576817141.db2.gz VJIMICBXJLCHQL-QUCCMNQESA-N 2 2 343.515 3.297 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1OC(F)F ZINC000062254735 1291984166 /nfs/dbraw/zinc/98/41/66/1291984166.db2.gz TZYHZNQULVRLNO-ZDUSSCGKSA-N 2 2 339.386 3.309 20 0 EGADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000065742154 1292090828 /nfs/dbraw/zinc/09/08/28/1292090828.db2.gz KCHSXLGULJCFGM-KRWDZBQOSA-N 2 2 348.878 3.044 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000067694029 1292168847 /nfs/dbraw/zinc/16/88/47/1292168847.db2.gz BPGMFHBBQXTKDM-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000067694029 1292168851 /nfs/dbraw/zinc/16/88/51/1292168851.db2.gz BPGMFHBBQXTKDM-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000072923775 1292298933 /nfs/dbraw/zinc/29/89/33/1292298933.db2.gz QZEXMLFRBQYBEN-IBGZPJMESA-N 2 2 325.387 3.489 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089154541 1292758826 /nfs/dbraw/zinc/75/88/26/1292758826.db2.gz NQBINZPQSSSGJX-GOSISDBHSA-N 2 2 337.552 3.268 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089154541 1292758831 /nfs/dbraw/zinc/75/88/31/1292758831.db2.gz NQBINZPQSSSGJX-GOSISDBHSA-N 2 2 337.552 3.268 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000103192277 1292995901 /nfs/dbraw/zinc/99/59/01/1292995901.db2.gz DMAQZGXXAQIWII-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000103192277 1292995911 /nfs/dbraw/zinc/99/59/11/1292995911.db2.gz DMAQZGXXAQIWII-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP c1ncn(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)n1 ZINC000114772541 1293178137 /nfs/dbraw/zinc/17/81/37/1293178137.db2.gz OBZJBHQKGLJZQD-NRFANRHFSA-N 2 2 347.466 3.022 20 0 EGADLP c1ncn(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)n1 ZINC000114772541 1293178143 /nfs/dbraw/zinc/17/81/43/1293178143.db2.gz OBZJBHQKGLJZQD-NRFANRHFSA-N 2 2 347.466 3.022 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000120851072 1293342476 /nfs/dbraw/zinc/34/24/76/1293342476.db2.gz GLKCJEUFZCVTNN-LJQANCHMSA-N 3 2 326.488 3.330 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000120851072 1293342484 /nfs/dbraw/zinc/34/24/84/1293342484.db2.gz GLKCJEUFZCVTNN-LJQANCHMSA-N 3 2 326.488 3.330 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2c(C)nn(CC(C)C)c2OCC)CC1 ZINC000123204008 1293436372 /nfs/dbraw/zinc/43/63/72/1293436372.db2.gz RAYRNBORNAEYBG-UHFFFAOYSA-N 2 2 336.524 3.210 20 0 EGADLP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128563659 1293598326 /nfs/dbraw/zinc/59/83/26/1293598326.db2.gz ARBFGGFKWMEASI-MRXNPFEDSA-N 2 2 348.450 3.425 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000151068107 1293905700 /nfs/dbraw/zinc/90/57/00/1293905700.db2.gz RJMJTQLEXRHBBX-UHFFFAOYSA-N 2 2 328.859 3.458 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000157949933 1294191941 /nfs/dbraw/zinc/19/19/41/1294191941.db2.gz SBBMGKFZNLLARA-ACJLOTCBSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000157949933 1294191948 /nfs/dbraw/zinc/19/19/48/1294191948.db2.gz SBBMGKFZNLLARA-ACJLOTCBSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2cc1F ZINC000157949933 1294191952 /nfs/dbraw/zinc/19/19/52/1294191952.db2.gz SBBMGKFZNLLARA-ACJLOTCBSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2cc1F ZINC000157949933 1294191957 /nfs/dbraw/zinc/19/19/57/1294191957.db2.gz SBBMGKFZNLLARA-ACJLOTCBSA-N 2 2 346.425 3.221 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183507008 1295125885 /nfs/dbraw/zinc/12/58/85/1295125885.db2.gz MMVBGOYRGOFTTA-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183507008 1295125891 /nfs/dbraw/zinc/12/58/91/1295125891.db2.gz MMVBGOYRGOFTTA-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760818 1295283885 /nfs/dbraw/zinc/28/38/85/1295283885.db2.gz XEJNKCHCAINZGL-UONOGXRCSA-N 2 2 335.423 3.477 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760818 1295283889 /nfs/dbraw/zinc/28/38/89/1295283889.db2.gz XEJNKCHCAINZGL-UONOGXRCSA-N 2 2 335.423 3.477 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229052298 1296156445 /nfs/dbraw/zinc/15/64/45/1296156445.db2.gz NCOLMZAWDFNEBE-HZPDHXFCSA-N 2 2 327.513 3.001 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248385972 1296411366 /nfs/dbraw/zinc/41/13/66/1296411366.db2.gz KQFNMPUSHBNPSZ-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248385972 1296411369 /nfs/dbraw/zinc/41/13/69/1296411369.db2.gz KQFNMPUSHBNPSZ-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261598316 1296593893 /nfs/dbraw/zinc/59/38/93/1296593893.db2.gz ALYFPIAZPYANPC-KRWDZBQOSA-N 2 2 349.906 3.359 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCC2 ZINC000872016690 1296658381 /nfs/dbraw/zinc/65/83/81/1296658381.db2.gz MRFWPKKZFGNCEL-KRWDZBQOSA-N 2 2 329.444 3.348 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000872063796 1296710294 /nfs/dbraw/zinc/71/02/94/1296710294.db2.gz SPZZKXBGMGBPPQ-NVXWUHKLSA-N 2 2 341.455 3.272 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1 ZINC000289569847 1296746184 /nfs/dbraw/zinc/74/61/84/1296746184.db2.gz SJBXRUSLBNOSTR-RDTXWAMCSA-N 2 2 338.459 3.357 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nonc2C)ccc1OC ZINC000872137107 1296761588 /nfs/dbraw/zinc/76/15/88/1296761588.db2.gz QQYBLWYNEYJLGO-ZDUSSCGKSA-N 2 2 332.448 3.079 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000301465300 1296788005 /nfs/dbraw/zinc/78/80/05/1296788005.db2.gz BRIIXHOXLNLDGU-GVDBMIGSSA-N 2 2 341.540 3.246 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000301513856 1296789437 /nfs/dbraw/zinc/78/94/37/1296789437.db2.gz LJMJIVDKIYUVGG-QBPKDAKJSA-N 2 2 339.524 3.094 20 0 EGADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000321271880 1297177130 /nfs/dbraw/zinc/17/71/30/1297177130.db2.gz FBXDQSLJUDIIDA-HNNXBMFYSA-N 2 2 327.350 3.005 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873013192 1297223518 /nfs/dbraw/zinc/22/35/18/1297223518.db2.gz WAZNTCSFJPLKJC-LBPRGKRZSA-N 2 2 347.260 3.316 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)[nH+]1 ZINC000344463720 1297332945 /nfs/dbraw/zinc/33/29/45/1297332945.db2.gz YLILXZPQBJTQPV-DNVCBOLYSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)[nH+]1 ZINC000344463720 1297332957 /nfs/dbraw/zinc/33/29/57/1297332957.db2.gz YLILXZPQBJTQPV-DNVCBOLYSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000379839163 1297541271 /nfs/dbraw/zinc/54/12/71/1297541271.db2.gz ZZZYNXVHNKNUBY-GOSISDBHSA-N 2 2 325.456 3.097 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000382629352 1297561547 /nfs/dbraw/zinc/56/15/47/1297561547.db2.gz NPBZDJJRUJKHML-GVDBMIGSSA-N 2 2 341.540 3.388 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582531 1298241790 /nfs/dbraw/zinc/24/17/90/1298241790.db2.gz WORKSDDMJAPIHW-PKOBYXMFSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582531 1298241799 /nfs/dbraw/zinc/24/17/99/1298241799.db2.gz WORKSDDMJAPIHW-PKOBYXMFSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029210 1298254399 /nfs/dbraw/zinc/25/43/99/1298254399.db2.gz UVODCPYQSDNKRA-HKUYNNGSSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029210 1298254410 /nfs/dbraw/zinc/25/44/10/1298254410.db2.gz UVODCPYQSDNKRA-HKUYNNGSSA-N 2 2 326.488 3.373 20 0 EGADLP CC1CC[NH+](Cc2csc(NC(=O)CCCCCC[NH3+])n2)CC1 ZINC000746323200 1298569251 /nfs/dbraw/zinc/56/92/51/1298569251.db2.gz YTABQCNVLJGLSO-UHFFFAOYSA-N 2 2 338.521 3.223 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NC[C@@H]3CC3(Cl)Cl)[nH+]c2)CC1 ZINC000877095802 1299156438 /nfs/dbraw/zinc/15/64/38/1299156438.db2.gz UGVBINGAQOEQTJ-LBPRGKRZSA-N 2 2 343.302 3.218 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)co1 ZINC000878196958 1299813389 /nfs/dbraw/zinc/81/33/89/1299813389.db2.gz KAWQODDQXFXZHA-QAPCUYQASA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)co1 ZINC000878196958 1299813406 /nfs/dbraw/zinc/81/34/06/1299813406.db2.gz KAWQODDQXFXZHA-QAPCUYQASA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)co1 ZINC000878196958 1299813414 /nfs/dbraw/zinc/81/34/14/1299813414.db2.gz KAWQODDQXFXZHA-QAPCUYQASA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)co1 ZINC000878196958 1299813428 /nfs/dbraw/zinc/81/34/28/1299813428.db2.gz KAWQODDQXFXZHA-QAPCUYQASA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)co1 ZINC000878302816 1299903088 /nfs/dbraw/zinc/90/30/88/1299903088.db2.gz XXXPVRFQCYGLGF-AWEZNQCLSA-N 2 2 338.411 3.073 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)co1 ZINC000878302816 1299903094 /nfs/dbraw/zinc/90/30/94/1299903094.db2.gz XXXPVRFQCYGLGF-AWEZNQCLSA-N 2 2 338.411 3.073 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653092 1300127835 /nfs/dbraw/zinc/12/78/35/1300127835.db2.gz YHXMCGBKXRDTBY-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653092 1300127838 /nfs/dbraw/zinc/12/78/38/1300127838.db2.gz YHXMCGBKXRDTBY-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000878653092 1300127844 /nfs/dbraw/zinc/12/78/44/1300127844.db2.gz YHXMCGBKXRDTBY-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000878653092 1300127852 /nfs/dbraw/zinc/12/78/52/1300127852.db2.gz YHXMCGBKXRDTBY-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000756891202 1300584364 /nfs/dbraw/zinc/58/43/64/1300584364.db2.gz ACJZWCRDYLQAKH-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000756891202 1300584371 /nfs/dbraw/zinc/58/43/71/1300584371.db2.gz ACJZWCRDYLQAKH-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853353 1301178170 /nfs/dbraw/zinc/17/81/70/1301178170.db2.gz NDYKUNSVMIRSML-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853353 1301178174 /nfs/dbraw/zinc/17/81/74/1301178174.db2.gz NDYKUNSVMIRSML-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853353 1301178181 /nfs/dbraw/zinc/17/81/81/1301178181.db2.gz NDYKUNSVMIRSML-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853353 1301178188 /nfs/dbraw/zinc/17/81/88/1301178188.db2.gz NDYKUNSVMIRSML-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000761300643 1301439446 /nfs/dbraw/zinc/43/94/46/1301439446.db2.gz TUTIXRFPJPNTHQ-MHJFOBGBSA-N 2 2 343.515 3.076 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000761300643 1301439451 /nfs/dbraw/zinc/43/94/51/1301439451.db2.gz TUTIXRFPJPNTHQ-MHJFOBGBSA-N 2 2 343.515 3.076 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000762073036 1301608326 /nfs/dbraw/zinc/60/83/26/1301608326.db2.gz GIUROGPFMSRGEM-KRWDZBQOSA-N 2 2 334.508 3.010 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000762073036 1301608341 /nfs/dbraw/zinc/60/83/41/1301608341.db2.gz GIUROGPFMSRGEM-KRWDZBQOSA-N 2 2 334.508 3.010 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000767434224 1302675164 /nfs/dbraw/zinc/67/51/64/1302675164.db2.gz LVGHUOUDNYUUMI-XJKSGUPXSA-N 2 2 341.390 3.155 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000767434224 1302675180 /nfs/dbraw/zinc/67/51/80/1302675180.db2.gz LVGHUOUDNYUUMI-XJKSGUPXSA-N 2 2 341.390 3.155 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000769544346 1303138374 /nfs/dbraw/zinc/13/83/74/1303138374.db2.gz VLQHUNCEGLLNEL-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000769544346 1303138380 /nfs/dbraw/zinc/13/83/80/1303138380.db2.gz VLQHUNCEGLLNEL-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP c1ccc([C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC000885891612 1303268422 /nfs/dbraw/zinc/26/84/22/1303268422.db2.gz KMLRQLIANOUSLD-PMACEKPBSA-N 2 2 344.499 3.141 20 0 EGADLP c1ccc([C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC000885891613 1303269036 /nfs/dbraw/zinc/26/90/36/1303269036.db2.gz KMLRQLIANOUSLD-UXHICEINSA-N 2 2 344.499 3.141 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000886188482 1303390912 /nfs/dbraw/zinc/39/09/12/1303390912.db2.gz STEPCYABYZXIFN-FPOVZHCZSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000886188482 1303390918 /nfs/dbraw/zinc/39/09/18/1303390918.db2.gz STEPCYABYZXIFN-FPOVZHCZSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCc4cccnc43)CC2)cc1 ZINC000886532512 1303489031 /nfs/dbraw/zinc/48/90/31/1303489031.db2.gz KHRZMINMENNYDO-HXUWFJFHSA-N 2 2 336.483 3.394 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)[nH+]c1C ZINC000886672778 1303551305 /nfs/dbraw/zinc/55/13/05/1303551305.db2.gz VDLPVGINEGOYIL-MZMPZRCHSA-N 2 2 346.519 3.289 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnc4ccccc4c3)[nH+]c2)C1 ZINC000772963323 1303598914 /nfs/dbraw/zinc/59/89/14/1303598914.db2.gz FEMYXPWQKOOKNU-IBGZPJMESA-N 2 2 347.466 3.382 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(CO)CCCCC3)CC2)cc1 ZINC000773048435 1303614614 /nfs/dbraw/zinc/61/46/14/1303614614.db2.gz REVJGZMJEWSACJ-UHFFFAOYSA-N 2 2 345.531 3.254 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867331 1303619727 /nfs/dbraw/zinc/61/97/27/1303619727.db2.gz CNANBYIYBCBOAR-KXBFYZLASA-N 2 2 349.906 3.441 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867331 1303619730 /nfs/dbraw/zinc/61/97/30/1303619730.db2.gz CNANBYIYBCBOAR-KXBFYZLASA-N 2 2 349.906 3.441 20 0 EGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888575876 1304202811 /nfs/dbraw/zinc/20/28/11/1304202811.db2.gz ASBQSOYRQNVMNO-OAHLLOKOSA-N 2 2 341.459 3.421 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1c(-c3ccccc3)nc3sccn13)CC2 ZINC000778253798 1304428300 /nfs/dbraw/zinc/42/83/00/1304428300.db2.gz TUDWNYLYHGBJEL-HNNXBMFYSA-N 2 2 349.463 3.364 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014078 1304518457 /nfs/dbraw/zinc/51/84/57/1304518457.db2.gz OIIDDJRNMLAGEN-BRWVUGGUSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014078 1304518458 /nfs/dbraw/zinc/51/84/58/1304518458.db2.gz OIIDDJRNMLAGEN-BRWVUGGUSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCCOC1 ZINC000780724381 1304729123 /nfs/dbraw/zinc/72/91/23/1304729123.db2.gz KHESQQOXJLTTGU-IAGOWNOFSA-N 2 2 331.504 3.126 20 0 EGADLP CCCC[N@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000783977311 1305171228 /nfs/dbraw/zinc/17/12/28/1305171228.db2.gz QPHOFIIALVFDMP-INIZCTEOSA-N 2 2 332.492 3.128 20 0 EGADLP CCCC[N@@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000783977311 1305171231 /nfs/dbraw/zinc/17/12/31/1305171231.db2.gz QPHOFIIALVFDMP-INIZCTEOSA-N 2 2 332.492 3.128 20 0 EGADLP Cc1cc(NCc2ccnc(OCC[NH+](C)C)c2)nc(C2CCC2)[nH+]1 ZINC000893038686 1305675846 /nfs/dbraw/zinc/67/58/46/1305675846.db2.gz VZRIGCSMYPILKK-UHFFFAOYSA-N 2 2 341.459 3.000 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247120 1305906086 /nfs/dbraw/zinc/90/60/86/1305906086.db2.gz VRBUQNFVZITDRO-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752169 1306009797 /nfs/dbraw/zinc/00/97/97/1306009797.db2.gz BVAFIKPRXVLWPF-KXBFYZLASA-N 2 2 325.456 3.348 20 0 EGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752169 1306009803 /nfs/dbraw/zinc/00/98/03/1306009803.db2.gz BVAFIKPRXVLWPF-KXBFYZLASA-N 2 2 325.456 3.348 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC[C@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000790054979 1306254136 /nfs/dbraw/zinc/25/41/36/1306254136.db2.gz NPFJVBKISODPBM-MJGOQNOKSA-N 2 2 336.483 3.364 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790534759 1306347443 /nfs/dbraw/zinc/34/74/43/1306347443.db2.gz WELVMSJMCVKVMD-MRXNPFEDSA-N 2 2 332.879 3.016 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790534759 1306347454 /nfs/dbraw/zinc/34/74/54/1306347454.db2.gz WELVMSJMCVKVMD-MRXNPFEDSA-N 2 2 332.879 3.016 20 0 EGADLP Cn1cc(-c2ccc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)s2)cn1 ZINC000895670383 1309458394 /nfs/dbraw/zinc/45/83/94/1309458394.db2.gz FRBCEBZZOCFIDE-UHFFFAOYSA-N 2 2 330.501 3.209 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796281200 1309950824 /nfs/dbraw/zinc/95/08/24/1309950824.db2.gz IMHNMDVZDSFOII-LBPRGKRZSA-N 2 2 341.286 3.461 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796281200 1309950827 /nfs/dbraw/zinc/95/08/27/1309950827.db2.gz IMHNMDVZDSFOII-LBPRGKRZSA-N 2 2 341.286 3.461 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)cc2)c1C ZINC000897813152 1310476588 /nfs/dbraw/zinc/47/65/88/1310476588.db2.gz RHHBZHPMEVYPIW-QGZVFWFLSA-N 2 2 326.444 3.300 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)cc2)c1C ZINC000897813152 1310476591 /nfs/dbraw/zinc/47/65/91/1310476591.db2.gz RHHBZHPMEVYPIW-QGZVFWFLSA-N 2 2 326.444 3.300 20 0 EGADLP CCc1nc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)co1 ZINC000825051225 1320306699 /nfs/dbraw/zinc/30/66/99/1320306699.db2.gz ZHJNSCXTPQWOSI-UHFFFAOYSA-N 2 2 329.444 3.001 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000825101962 1320310020 /nfs/dbraw/zinc/31/00/20/1320310020.db2.gz IVRNBVBVDKTVPU-BZUAXINKSA-N 2 2 346.462 3.208 20 0 EGADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929474093 1328608572 /nfs/dbraw/zinc/60/85/72/1328608572.db2.gz TYZAGJWDVMDJMT-MRXNPFEDSA-N 2 2 340.452 3.191 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000858104322 1328683767 /nfs/dbraw/zinc/68/37/67/1328683767.db2.gz GTEYTQCFXVUURD-INIZCTEOSA-N 2 2 346.475 3.209 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001019447369 1317250009 /nfs/dbraw/zinc/25/00/09/1317250009.db2.gz FRUOANPGKLRSTH-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000957420109 1317345783 /nfs/dbraw/zinc/34/57/83/1317345783.db2.gz FTBIUEPCKQOBEF-FXAWDEMLSA-N 2 2 343.515 3.155 20 0 EGADLP CC(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957559949 1317457131 /nfs/dbraw/zinc/45/71/31/1317457131.db2.gz RXORAQUBIQJDON-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957559949 1317457133 /nfs/dbraw/zinc/45/71/33/1317457133.db2.gz RXORAQUBIQJDON-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cn1 ZINC000806131986 1317462946 /nfs/dbraw/zinc/46/29/46/1317462946.db2.gz QSIQFMBFRFZKMX-HNNXBMFYSA-N 2 2 339.830 3.401 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2cccnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000902513818 1317584940 /nfs/dbraw/zinc/58/49/40/1317584940.db2.gz OOERGNFXMFFIJR-WOJBJXKFSA-N 2 2 325.456 3.024 20 0 EGADLP CCC[N@H+](CN1CC[C@H](C)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902640896 1317601700 /nfs/dbraw/zinc/60/17/00/1317601700.db2.gz ORGABYQDQBGFLF-SFHVURJKSA-N 2 2 343.515 3.189 20 0 EGADLP CCC[N@@H+](CN1CC[C@H](C)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902640896 1317601705 /nfs/dbraw/zinc/60/17/05/1317601705.db2.gz ORGABYQDQBGFLF-SFHVURJKSA-N 2 2 343.515 3.189 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972952 1317635313 /nfs/dbraw/zinc/63/53/13/1317635313.db2.gz MSTKPJKAMJXYLU-KBPBESRZSA-N 2 2 345.409 3.252 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972952 1317635317 /nfs/dbraw/zinc/63/53/17/1317635317.db2.gz MSTKPJKAMJXYLU-KBPBESRZSA-N 2 2 345.409 3.252 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C)cn2)C1 ZINC000808379048 1317668840 /nfs/dbraw/zinc/66/88/40/1317668840.db2.gz DZLVNEYSINFEFS-CALCHBBNSA-N 2 2 326.488 3.188 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C)cn2)C1 ZINC000808379048 1317668846 /nfs/dbraw/zinc/66/88/46/1317668846.db2.gz DZLVNEYSINFEFS-CALCHBBNSA-N 2 2 326.488 3.188 20 0 EGADLP Clc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2ncccc12 ZINC000903974933 1317759814 /nfs/dbraw/zinc/75/98/14/1317759814.db2.gz XECQWYGWNJARLF-OAHLLOKOSA-N 2 2 345.874 3.137 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904322758 1317830736 /nfs/dbraw/zinc/83/07/36/1317830736.db2.gz JGAVRFBJMGMRLV-HXUWFJFHSA-N 3 2 330.520 3.010 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904322758 1317830747 /nfs/dbraw/zinc/83/07/47/1317830747.db2.gz JGAVRFBJMGMRLV-HXUWFJFHSA-N 3 2 330.520 3.010 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904338297 1317833295 /nfs/dbraw/zinc/83/32/95/1317833295.db2.gz QPCKFOKUGGJLFX-GOSISDBHSA-N 2 2 333.520 3.364 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904338297 1317833303 /nfs/dbraw/zinc/83/33/03/1317833303.db2.gz QPCKFOKUGGJLFX-GOSISDBHSA-N 2 2 333.520 3.364 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2nc(C[NH+](CC)CC)cs2)C1 ZINC000906376625 1318088939 /nfs/dbraw/zinc/08/89/39/1318088939.db2.gz XREZRUHSKZKZGI-CQSZACIVSA-N 2 2 338.521 3.045 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C(=O)Nc2nc(C[NH+](CC)CC)cs2)C1 ZINC000906376625 1318088948 /nfs/dbraw/zinc/08/89/48/1318088948.db2.gz XREZRUHSKZKZGI-CQSZACIVSA-N 2 2 338.521 3.045 20 0 EGADLP CC[NH+](CC)CC1CC[NH+](Cn2nc(C(F)(F)F)cc2C)CC1 ZINC000811748576 1318251953 /nfs/dbraw/zinc/25/19/53/1318251953.db2.gz XCNIWJNQBUQUIT-UHFFFAOYSA-N 2 2 332.414 3.222 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960022105 1318316657 /nfs/dbraw/zinc/31/66/57/1318316657.db2.gz CVDVCQBFQPPMKH-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960022105 1318316665 /nfs/dbraw/zinc/31/66/65/1318316665.db2.gz CVDVCQBFQPPMKH-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C1CC1 ZINC000812718290 1318443942 /nfs/dbraw/zinc/44/39/42/1318443942.db2.gz JRBYSAOQUUHYHQ-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C1CC1 ZINC000812718290 1318443947 /nfs/dbraw/zinc/44/39/47/1318443947.db2.gz JRBYSAOQUUHYHQ-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000812840320 1318468589 /nfs/dbraw/zinc/46/85/89/1318468589.db2.gz AJUMWVIQMWHKNB-CWFSZBLJSA-N 2 2 345.531 3.371 20 0 EGADLP COCCC1([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1 ZINC000812844369 1318471177 /nfs/dbraw/zinc/47/11/77/1318471177.db2.gz FTTPCAIBFLHMLZ-UHFFFAOYSA-N 2 2 331.504 3.270 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnnn1-c1ccccc1 ZINC000813324468 1318532085 /nfs/dbraw/zinc/53/20/85/1318532085.db2.gz NCYSQVPNWVESTO-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP Cc1noc(C2CCC([NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 ZINC000813854956 1318644508 /nfs/dbraw/zinc/64/45/08/1318644508.db2.gz IITKAIAABWJIRN-GPANFISMSA-N 2 2 331.464 3.305 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CCc3cccs3)C2)c(C)[nH+]1 ZINC001022462509 1318950690 /nfs/dbraw/zinc/95/06/90/1318950690.db2.gz SAFCBZPVDDFANS-IYBDPMFKSA-N 2 2 343.496 3.161 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576905 1319401633 /nfs/dbraw/zinc/40/16/33/1319401633.db2.gz ZYXRVQFWTCRBFQ-ZWNOBZJWSA-N 2 2 344.322 3.288 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576905 1319401639 /nfs/dbraw/zinc/40/16/39/1319401639.db2.gz ZYXRVQFWTCRBFQ-ZWNOBZJWSA-N 2 2 344.322 3.288 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000817880461 1319452347 /nfs/dbraw/zinc/45/23/47/1319452347.db2.gz VJAOSYVLTQJDNW-VKJFTORMSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000817880461 1319452351 /nfs/dbraw/zinc/45/23/51/1319452351.db2.gz VJAOSYVLTQJDNW-VKJFTORMSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000817960901 1319477749 /nfs/dbraw/zinc/47/77/49/1319477749.db2.gz TVHYWONLRONEOX-INIZCTEOSA-N 2 2 344.503 3.179 20 0 EGADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000819058609 1319623715 /nfs/dbraw/zinc/62/37/15/1319623715.db2.gz NJXSIAIAGJZYAC-HNNXBMFYSA-N 2 2 327.350 3.005 20 0 EGADLP C[C@H]([NH2+]CC1CC(NC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC000962072844 1319816640 /nfs/dbraw/zinc/81/66/40/1319816640.db2.gz QVMHRLKHLCYCQS-HJOIGYKYSA-N 2 2 348.450 3.194 20 0 EGADLP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000823629318 1320193158 /nfs/dbraw/zinc/19/31/58/1320193158.db2.gz PRCHLQGYELPGFA-KRWDZBQOSA-N 2 2 344.421 3.027 20 0 EGADLP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000823629318 1320193161 /nfs/dbraw/zinc/19/31/61/1320193161.db2.gz PRCHLQGYELPGFA-KRWDZBQOSA-N 2 2 344.421 3.027 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508153 1328881462 /nfs/dbraw/zinc/88/14/62/1328881462.db2.gz DMAGMOBGFLZEBA-PBHICJAKSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508153 1328881468 /nfs/dbraw/zinc/88/14/68/1328881468.db2.gz DMAGMOBGFLZEBA-PBHICJAKSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000825901405 1320370275 /nfs/dbraw/zinc/37/02/75/1320370275.db2.gz ZLQADMYMSYEPJI-MWDXBVQZSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517233 1320931951 /nfs/dbraw/zinc/93/19/51/1320931951.db2.gz RDEOZYYZXHKAQI-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517233 1320931956 /nfs/dbraw/zinc/93/19/56/1320931956.db2.gz RDEOZYYZXHKAQI-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC[NH2+]1 ZINC000841022827 1321202513 /nfs/dbraw/zinc/20/25/13/1321202513.db2.gz XZSVERJVBQRLHH-KPFFTGBYSA-N 2 2 344.499 3.061 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841056974 1321211126 /nfs/dbraw/zinc/21/11/26/1321211126.db2.gz GOAHJMVFRBYPCL-INIZCTEOSA-N 2 2 332.879 3.125 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)OC[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829898 1321437373 /nfs/dbraw/zinc/43/73/73/1321437373.db2.gz IMAJLCYBBBCOLT-IEBWSBKVSA-N 2 2 332.488 3.343 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)OC[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829898 1321437377 /nfs/dbraw/zinc/43/73/77/1321437377.db2.gz IMAJLCYBBBCOLT-IEBWSBKVSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@@H](C(=O)OC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000842829898 1321437381 /nfs/dbraw/zinc/43/73/81/1321437381.db2.gz IMAJLCYBBBCOLT-IEBWSBKVSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@@H](C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000842829898 1321437386 /nfs/dbraw/zinc/43/73/86/1321437386.db2.gz IMAJLCYBBBCOLT-IEBWSBKVSA-N 2 2 332.488 3.343 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000842838416 1321440218 /nfs/dbraw/zinc/44/02/18/1321440218.db2.gz NUBWSMGGILOYLK-GPMSIDNRSA-N 2 2 332.513 3.239 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000842838416 1321440221 /nfs/dbraw/zinc/44/02/21/1321440221.db2.gz NUBWSMGGILOYLK-GPMSIDNRSA-N 2 2 332.513 3.239 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053245 1321462122 /nfs/dbraw/zinc/46/21/22/1321462122.db2.gz ZWAQFPDBAAZBJJ-CHWSQXEVSA-N 2 2 335.883 3.225 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053245 1321462124 /nfs/dbraw/zinc/46/21/24/1321462124.db2.gz ZWAQFPDBAAZBJJ-CHWSQXEVSA-N 2 2 335.883 3.225 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@@H]1[NH3+] ZINC000843053617 1321463068 /nfs/dbraw/zinc/46/30/68/1321463068.db2.gz OTQPLCLPXADEQT-DOMZBBRYSA-N 2 2 335.883 3.225 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@@H]1[NH3+] ZINC000843053617 1321463069 /nfs/dbraw/zinc/46/30/69/1321463069.db2.gz OTQPLCLPXADEQT-DOMZBBRYSA-N 2 2 335.883 3.225 20 0 EGADLP C[C@H](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)C1CC[NH2+]CC1 ZINC000843187076 1321484309 /nfs/dbraw/zinc/48/43/09/1321484309.db2.gz KYNZVUDFRDVERB-CQSZACIVSA-N 2 2 337.427 3.101 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)CC(C)(C)C[NH3+] ZINC000843354575 1321505593 /nfs/dbraw/zinc/50/55/93/1321505593.db2.gz DADVHVFGVASCOP-UHFFFAOYSA-N 2 2 325.456 3.209 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)CC(C)(C)C[NH3+] ZINC000843354575 1321505597 /nfs/dbraw/zinc/50/55/97/1321505597.db2.gz DADVHVFGVASCOP-UHFFFAOYSA-N 2 2 325.456 3.209 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1SC(F)(F)F ZINC000843385877 1321509618 /nfs/dbraw/zinc/50/96/18/1321509618.db2.gz ASJCNNQPFCDFHC-OLZOCXBDSA-N 2 2 346.418 3.491 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1SC(F)(F)F ZINC000843385877 1321509622 /nfs/dbraw/zinc/50/96/22/1321509622.db2.gz ASJCNNQPFCDFHC-OLZOCXBDSA-N 2 2 346.418 3.491 20 0 EGADLP C[C@@H](CC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583120 1321720162 /nfs/dbraw/zinc/72/01/62/1321720162.db2.gz SDMCAUUIOJVVTG-YQVWRLOYSA-N 2 2 341.455 3.431 20 0 EGADLP C[C@@H](CC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583120 1321720166 /nfs/dbraw/zinc/72/01/66/1321720166.db2.gz SDMCAUUIOJVVTG-YQVWRLOYSA-N 2 2 341.455 3.431 20 0 EGADLP COc1cc(F)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000845928454 1321755190 /nfs/dbraw/zinc/75/51/90/1321755190.db2.gz NIRAHQXQSCEHNU-KRWDZBQOSA-N 2 2 335.423 3.244 20 0 EGADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145628 1321771490 /nfs/dbraw/zinc/77/14/90/1321771490.db2.gz MAYISPRGSYHXTM-ZBFHGGJFSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145628 1321771493 /nfs/dbraw/zinc/77/14/93/1321771493.db2.gz MAYISPRGSYHXTM-ZBFHGGJFSA-N 2 2 336.476 3.237 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569256 1321977998 /nfs/dbraw/zinc/97/79/98/1321977998.db2.gz YIMSHUPANGIHQD-PWIZWCRZSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569256 1321978000 /nfs/dbraw/zinc/97/80/00/1321978000.db2.gz YIMSHUPANGIHQD-PWIZWCRZSA-N 2 2 341.499 3.481 20 0 EGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849053926 1322059680 /nfs/dbraw/zinc/05/96/80/1322059680.db2.gz ZXCDBTVOMIESOM-YESZJQIVSA-N 2 2 340.556 3.203 20 0 EGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849053926 1322059685 /nfs/dbraw/zinc/05/96/85/1322059685.db2.gz ZXCDBTVOMIESOM-YESZJQIVSA-N 2 2 340.556 3.203 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000850494395 1322257584 /nfs/dbraw/zinc/25/75/84/1322257584.db2.gz OOGNLFMDNMJRIX-RBSFLKMASA-N 2 2 346.462 3.206 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000850494395 1322257589 /nfs/dbraw/zinc/25/75/89/1322257589.db2.gz OOGNLFMDNMJRIX-RBSFLKMASA-N 2 2 346.462 3.206 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556640 1322266044 /nfs/dbraw/zinc/26/60/44/1322266044.db2.gz SGQWFGYEHREEAW-QFBILLFUSA-N 2 2 342.487 3.075 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556640 1322266050 /nfs/dbraw/zinc/26/60/50/1322266050.db2.gz SGQWFGYEHREEAW-QFBILLFUSA-N 2 2 342.487 3.075 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556643 1322266361 /nfs/dbraw/zinc/26/63/61/1322266361.db2.gz SGQWFGYEHREEAW-VQIMIIECSA-N 2 2 342.487 3.075 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556643 1322266364 /nfs/dbraw/zinc/26/63/64/1322266364.db2.gz SGQWFGYEHREEAW-VQIMIIECSA-N 2 2 342.487 3.075 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)[nH+]c1C ZINC000921661140 1322372371 /nfs/dbraw/zinc/37/23/71/1322372371.db2.gz HJUXCPVMHJBVJS-UHFFFAOYSA-N 2 2 326.444 3.364 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822285 1322405515 /nfs/dbraw/zinc/40/55/15/1322405515.db2.gz RTRFPLDNUNNFHR-HOTGVXAUSA-N 2 2 348.491 3.167 20 0 EGADLP Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000922432175 1322528546 /nfs/dbraw/zinc/52/85/46/1322528546.db2.gz OLIMABTVNYPMIH-UHFFFAOYSA-N 2 2 349.360 3.186 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c2ncnn21 ZINC000924603103 1323070659 /nfs/dbraw/zinc/07/06/59/1323070659.db2.gz FMYJXLONTJJPLX-VQIMIIECSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c2ncnn21 ZINC000924603094 1323070837 /nfs/dbraw/zinc/07/08/37/1323070837.db2.gz FMYJXLONTJJPLX-APWZRJJASA-N 2 2 339.487 3.306 20 0 EGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000924668125 1323104719 /nfs/dbraw/zinc/10/47/19/1323104719.db2.gz OPPJRSRHURECDD-HUUCEWRRSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000924668125 1323104724 /nfs/dbraw/zinc/10/47/24/1323104724.db2.gz OPPJRSRHURECDD-HUUCEWRRSA-N 2 2 328.460 3.461 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)c2ccccn2)CCCC1)c1ccccc1 ZINC000853100007 1323280879 /nfs/dbraw/zinc/28/08/79/1323280879.db2.gz XWYFYHBYCKATAX-YLJYHZDGSA-N 2 2 339.483 3.368 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001025103736 1323896955 /nfs/dbraw/zinc/89/69/55/1323896955.db2.gz ZWAIVEFSEGKDAA-FUHWJXTLSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290066 1324114290 /nfs/dbraw/zinc/11/42/90/1324114290.db2.gz XOVVTMAEXDISIO-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290066 1324114294 /nfs/dbraw/zinc/11/42/94/1324114294.db2.gz XOVVTMAEXDISIO-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424056 1324257632 /nfs/dbraw/zinc/25/76/32/1324257632.db2.gz VWGFECMMSVNACX-AEFFLSMTSA-N 2 2 342.487 3.273 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424056 1324257636 /nfs/dbraw/zinc/25/76/36/1324257636.db2.gz VWGFECMMSVNACX-AEFFLSMTSA-N 2 2 342.487 3.273 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000931760863 1329178589 /nfs/dbraw/zinc/17/85/89/1329178589.db2.gz IKMLHAYORPNRNL-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)on1 ZINC000925133800 1325059506 /nfs/dbraw/zinc/05/95/06/1325059506.db2.gz DSLKWEPIYMKECB-AHIWAGSCSA-N 2 2 335.473 3.478 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)on1 ZINC000925133800 1325059512 /nfs/dbraw/zinc/05/95/12/1325059512.db2.gz DSLKWEPIYMKECB-AHIWAGSCSA-N 2 2 335.473 3.478 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001026919873 1325083022 /nfs/dbraw/zinc/08/30/22/1325083022.db2.gz PIXUIXSDJVNIJH-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368312 1325173813 /nfs/dbraw/zinc/17/38/13/1325173813.db2.gz VIDBDKREGDPMJW-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368312 1325173819 /nfs/dbraw/zinc/17/38/19/1325173819.db2.gz VIDBDKREGDPMJW-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000925546375 1325201651 /nfs/dbraw/zinc/20/16/51/1325201651.db2.gz KOGMWWPSXATBGG-IFXJQAMLSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925557905 1325208078 /nfs/dbraw/zinc/20/80/78/1325208078.db2.gz QJXHFBAJPQHBGS-ORYQWCPZSA-N 2 2 340.467 3.029 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621546 1325235513 /nfs/dbraw/zinc/23/55/13/1325235513.db2.gz FBYYGMRKVVJHQH-UZLBHIALSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621546 1325235520 /nfs/dbraw/zinc/23/55/20/1325235520.db2.gz FBYYGMRKVVJHQH-UZLBHIALSA-N 3 2 327.472 3.142 20 0 EGADLP O[C@H](c1ccccc1)[C@@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1 ZINC000925668005 1325255583 /nfs/dbraw/zinc/25/55/83/1325255583.db2.gz DZRZXHSPJXTTKQ-XZNYGTFNSA-N 2 2 334.463 3.047 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925674351 1325258111 /nfs/dbraw/zinc/25/81/11/1325258111.db2.gz CHNPSIXWTREMBM-QAPCUYQASA-N 2 2 327.472 3.139 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925835050 1325321021 /nfs/dbraw/zinc/32/10/21/1325321021.db2.gz LMJRRNLDWYFGIY-ZFWWWQNUSA-N 2 2 338.377 3.022 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cn1 ZINC000926745282 1327696029 /nfs/dbraw/zinc/69/60/29/1327696029.db2.gz NDQYOHYYVCCDQC-YSIASYRMSA-N 2 2 330.520 3.128 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000926745282 1327696035 /nfs/dbraw/zinc/69/60/35/1327696035.db2.gz NDQYOHYYVCCDQC-YSIASYRMSA-N 2 2 330.520 3.128 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609268 1327970570 /nfs/dbraw/zinc/97/05/70/1327970570.db2.gz CLTNGZRQJGEYQB-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609268 1327970576 /nfs/dbraw/zinc/97/05/76/1327970576.db2.gz CLTNGZRQJGEYQB-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609268 1327970580 /nfs/dbraw/zinc/97/05/80/1327970580.db2.gz CLTNGZRQJGEYQB-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609268 1327970585 /nfs/dbraw/zinc/97/05/85/1327970585.db2.gz CLTNGZRQJGEYQB-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027703362 1328116737 /nfs/dbraw/zinc/11/67/37/1328116737.db2.gz XIVVJKQOPBWLOX-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027703362 1328116742 /nfs/dbraw/zinc/11/67/42/1328116742.db2.gz XIVVJKQOPBWLOX-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916968 1328471061 /nfs/dbraw/zinc/47/10/61/1328471061.db2.gz ULBFRZXJLICWFD-KSSFIOAISA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916968 1328471065 /nfs/dbraw/zinc/47/10/65/1328471065.db2.gz ULBFRZXJLICWFD-KSSFIOAISA-N 2 2 328.460 3.049 20 0 EGADLP FC(F)(F)c1c[nH+]ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000865502017 1329706185 /nfs/dbraw/zinc/70/61/85/1329706185.db2.gz DXDLFBHOCSMIBJ-UHFFFAOYSA-N 2 2 342.390 3.269 20 0 EGADLP FC(F)(F)c1c[nH+]ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000865502017 1329706187 /nfs/dbraw/zinc/70/61/87/1329706187.db2.gz DXDLFBHOCSMIBJ-UHFFFAOYSA-N 2 2 342.390 3.269 20 0 EGADLP CCCCNc1cc(C)[nH+]c(N2CCC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000865731340 1329733684 /nfs/dbraw/zinc/73/36/84/1329733684.db2.gz KVTDDEBLAZQFCN-OAHLLOKOSA-N 2 2 328.464 3.115 20 0 EGADLP C/C(=C/C1CCC(C)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865748745 1329734655 /nfs/dbraw/zinc/73/46/55/1329734655.db2.gz ASLMGHGXFFSTMV-QVDNYYAUSA-N 2 2 347.547 3.044 20 0 EGADLP C/C(=C/C1CCC(C)CC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865748745 1329734656 /nfs/dbraw/zinc/73/46/56/1329734656.db2.gz ASLMGHGXFFSTMV-QVDNYYAUSA-N 2 2 347.547 3.044 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934417848 1329976717 /nfs/dbraw/zinc/97/67/17/1329976717.db2.gz MPIZDBNXUMXOKS-UHFFFAOYSA-N 2 2 331.847 3.211 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000939542293 1330455261 /nfs/dbraw/zinc/45/52/61/1330455261.db2.gz VTLFIYNBUAMUSW-NVXWUHKLSA-N 2 2 346.519 3.094 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473579 1333539599 /nfs/dbraw/zinc/53/95/99/1333539599.db2.gz IJLVUTRZRXEUJK-KRWDZBQOSA-N 2 2 334.508 3.040 20 0 EGADLP CCCC[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473579 1333539602 /nfs/dbraw/zinc/53/96/02/1333539602.db2.gz IJLVUTRZRXEUJK-KRWDZBQOSA-N 2 2 334.508 3.040 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000948603919 1333592814 /nfs/dbraw/zinc/59/28/14/1333592814.db2.gz PFHVGXJISIUJIV-UHFFFAOYSA-N 2 2 349.544 3.148 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616587 1333597989 /nfs/dbraw/zinc/59/79/89/1333597989.db2.gz JMNOLOKBJTUJJZ-DLBZAZTESA-N 2 2 342.487 3.307 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616587 1333597993 /nfs/dbraw/zinc/59/79/93/1333597993.db2.gz JMNOLOKBJTUJJZ-DLBZAZTESA-N 2 2 342.487 3.307 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948812100 1333693398 /nfs/dbraw/zinc/69/33/98/1333693398.db2.gz GGJMXXZIHDFTIK-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948812100 1333693400 /nfs/dbraw/zinc/69/34/00/1333693400.db2.gz GGJMXXZIHDFTIK-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP C[NH+](C)Cc1ccoc1C(=O)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000949899505 1333958764 /nfs/dbraw/zinc/95/87/64/1333958764.db2.gz BMNPXHBDTPCEMB-UHFFFAOYSA-N 2 2 347.503 3.069 20 0 EGADLP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950787097 1334129428 /nfs/dbraw/zinc/12/94/28/1334129428.db2.gz HROPNZFFKPMSAG-INIZCTEOSA-N 2 2 348.450 3.011 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1 ZINC000950961715 1334161315 /nfs/dbraw/zinc/16/13/15/1334161315.db2.gz GITSBSZTQSWPAT-MSOLQXFVSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1C ZINC000968596266 1335978140 /nfs/dbraw/zinc/97/81/40/1335978140.db2.gz ILQULJMIXOIWQL-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1C ZINC000968596266 1335978144 /nfs/dbraw/zinc/97/81/44/1335978144.db2.gz ILQULJMIXOIWQL-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305862 1370715534 /nfs/dbraw/zinc/71/55/34/1370715534.db2.gz SXRGTRXQSNBNMK-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205305862 1370715538 /nfs/dbraw/zinc/71/55/38/1370715538.db2.gz SXRGTRXQSNBNMK-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937190 1337959453 /nfs/dbraw/zinc/95/94/53/1337959453.db2.gz KIYGHTUBDZVOOQ-WEBJUUICSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937190 1337959458 /nfs/dbraw/zinc/95/94/58/1337959458.db2.gz KIYGHTUBDZVOOQ-WEBJUUICSA-N 2 2 346.434 3.080 20 0 EGADLP CC1CCC(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001014939619 1337959906 /nfs/dbraw/zinc/95/99/06/1337959906.db2.gz CXEUJDAESSFVLG-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CCC(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001014939619 1337959908 /nfs/dbraw/zinc/95/99/08/1337959908.db2.gz CXEUJDAESSFVLG-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001017252898 1338983139 /nfs/dbraw/zinc/98/31/39/1338983139.db2.gz QBDFSGCGNQUGST-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001017252898 1338983141 /nfs/dbraw/zinc/98/31/41/1338983141.db2.gz QBDFSGCGNQUGST-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001029152862 1340944117 /nfs/dbraw/zinc/94/41/17/1340944117.db2.gz KZHRQCMDBIGISF-DLBZAZTESA-N 2 2 346.519 3.241 20 0 EGADLP C[N@H+](CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)CC1CCCCCC1 ZINC001030006651 1341154595 /nfs/dbraw/zinc/15/45/95/1341154595.db2.gz WVCYBOAONOMKCT-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)CC1CCCCCC1 ZINC001030006651 1341154596 /nfs/dbraw/zinc/15/45/96/1341154596.db2.gz WVCYBOAONOMKCT-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030301879 1341176904 /nfs/dbraw/zinc/17/69/04/1341176904.db2.gz RTTWNDGMZSSEGI-FXAWDEMLSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030301879 1341176905 /nfs/dbraw/zinc/17/69/05/1341176905.db2.gz RTTWNDGMZSSEGI-FXAWDEMLSA-N 2 2 343.515 3.038 20 0 EGADLP O=C(NC1C[NH+]([C@H]2CCCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001030527794 1341194346 /nfs/dbraw/zinc/19/43/46/1341194346.db2.gz UTYLFPZMWWNXEP-FQEVSTJZSA-N 2 2 346.434 3.055 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001031237280 1341301792 /nfs/dbraw/zinc/30/17/92/1341301792.db2.gz YDSBTOWNEWYWKK-XLIONFOSSA-N 2 2 343.515 3.203 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001031237280 1341301793 /nfs/dbraw/zinc/30/17/93/1341301793.db2.gz YDSBTOWNEWYWKK-XLIONFOSSA-N 2 2 343.515 3.203 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001034974559 1342860497 /nfs/dbraw/zinc/86/04/97/1342860497.db2.gz WUIPAPVJXMPIOC-GOSISDBHSA-N 2 2 344.503 3.008 20 0 EGADLP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001034974988 1342861154 /nfs/dbraw/zinc/86/11/54/1342861154.db2.gz PPLPAACHSGBIHC-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001035104105 1342928461 /nfs/dbraw/zinc/92/84/61/1342928461.db2.gz OLAVLXAXNHKFHU-DOTOQJQBSA-N 2 2 340.471 3.029 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231041 1343052141 /nfs/dbraw/zinc/05/21/41/1343052141.db2.gz HCSHYWPPXVFBIQ-ZWKOTPCHSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231041 1343052143 /nfs/dbraw/zinc/05/21/43/1343052143.db2.gz HCSHYWPPXVFBIQ-ZWKOTPCHSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036265311 1343385828 /nfs/dbraw/zinc/38/58/28/1343385828.db2.gz LCIJNRMCRMHEFB-RDJZCZTQSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036393509 1343462229 /nfs/dbraw/zinc/46/22/29/1343462229.db2.gz IBJHLHGLEAANTK-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036395126 1343463026 /nfs/dbraw/zinc/46/30/26/1343463026.db2.gz PCTKJMCUZWVPKD-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001036410797 1343470692 /nfs/dbraw/zinc/47/06/92/1343470692.db2.gz IELLKUCJPBRRMD-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001036410797 1343470695 /nfs/dbraw/zinc/47/06/95/1343470695.db2.gz IELLKUCJPBRRMD-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036555160 1343551909 /nfs/dbraw/zinc/55/19/09/1343551909.db2.gz RBUIJWXVSJPGNT-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036555160 1343551912 /nfs/dbraw/zinc/55/19/12/1343551912.db2.gz RBUIJWXVSJPGNT-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CC1CCCCCC1 ZINC001036600443 1343570846 /nfs/dbraw/zinc/57/08/46/1343570846.db2.gz AHRSDZURBMNTIR-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037830462 1344123969 /nfs/dbraw/zinc/12/39/69/1344123969.db2.gz VEKXXUMNAVXEMG-MSOLQXFVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1[NH2+]CC(C)C ZINC001037858856 1344144636 /nfs/dbraw/zinc/14/46/36/1344144636.db2.gz YYJGTCATLGFUQA-WMZOPIPTSA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037909774 1344172398 /nfs/dbraw/zinc/17/23/98/1344172398.db2.gz ROUDWRRTVJOUBG-RTBURBONSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@@H+]3CCCC3CCC3)ccn12 ZINC001038250983 1344344254 /nfs/dbraw/zinc/34/42/54/1344344254.db2.gz FFELBLAYCUMKKA-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@H+]3CCCC3CCC3)ccn12 ZINC001038250983 1344344256 /nfs/dbraw/zinc/34/42/56/1344344256.db2.gz FFELBLAYCUMKKA-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038417334 1344419949 /nfs/dbraw/zinc/41/99/49/1344419949.db2.gz RFZNVTDSSJSHIF-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1CCCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038417334 1344419951 /nfs/dbraw/zinc/41/99/51/1344419951.db2.gz RFZNVTDSSJSHIF-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001038783873 1344582798 /nfs/dbraw/zinc/58/27/98/1344582798.db2.gz ZJTVZQPPNJUQRG-ZWKOTPCHSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001038783873 1344582800 /nfs/dbraw/zinc/58/28/00/1344582800.db2.gz ZJTVZQPPNJUQRG-ZWKOTPCHSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783873 1344582809 /nfs/dbraw/zinc/58/28/09/1344582809.db2.gz ZJTVZQPPNJUQRG-ZWKOTPCHSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783873 1344582812 /nfs/dbraw/zinc/58/28/12/1344582812.db2.gz ZJTVZQPPNJUQRG-ZWKOTPCHSA-N 2 2 349.544 3.010 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211042 1344925684 /nfs/dbraw/zinc/92/56/84/1344925684.db2.gz RLQOHWMCVJEZME-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211042 1344925686 /nfs/dbraw/zinc/92/56/86/1344925686.db2.gz RLQOHWMCVJEZME-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211042 1344925690 /nfs/dbraw/zinc/92/56/90/1344925690.db2.gz RLQOHWMCVJEZME-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211042 1344925695 /nfs/dbraw/zinc/92/56/95/1344925695.db2.gz RLQOHWMCVJEZME-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238366 1344962288 /nfs/dbraw/zinc/96/22/88/1344962288.db2.gz NILRFXXIDBEAQF-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238366 1344962289 /nfs/dbraw/zinc/96/22/89/1344962289.db2.gz NILRFXXIDBEAQF-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001044006920 1346233053 /nfs/dbraw/zinc/23/30/53/1346233053.db2.gz YSDGYRWHBQYNLX-XLIONFOSSA-N 2 2 343.515 3.153 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001044006920 1346233056 /nfs/dbraw/zinc/23/30/56/1346233056.db2.gz YSDGYRWHBQYNLX-XLIONFOSSA-N 2 2 343.515 3.153 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044693013 1346404965 /nfs/dbraw/zinc/40/49/65/1346404965.db2.gz KEDWLJITLTUXMD-IEBWSBKVSA-N 2 2 344.503 3.133 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3(C)CC[NH+](CCC4CC4)CC3)ccn12 ZINC001045439573 1346594537 /nfs/dbraw/zinc/59/45/37/1346594537.db2.gz OSEQUICGLAZOIA-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045552964 1346628236 /nfs/dbraw/zinc/62/82/36/1346628236.db2.gz DZXYRFIFZNGWJY-HNNXBMFYSA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553262 1346628468 /nfs/dbraw/zinc/62/84/68/1346628468.db2.gz LEVXKNUJRRMMCR-MRXNPFEDSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045952546 1346788276 /nfs/dbraw/zinc/78/82/76/1346788276.db2.gz NNFQBWHQLRRDRS-FQEVSTJZSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045952546 1346788277 /nfs/dbraw/zinc/78/82/77/1346788277.db2.gz NNFQBWHQLRRDRS-FQEVSTJZSA-N 2 2 340.471 3.061 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958663 1346793208 /nfs/dbraw/zinc/79/32/08/1346793208.db2.gz VWEVZNODQPOXAH-AZUAARDMSA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958663 1346793212 /nfs/dbraw/zinc/79/32/12/1346793212.db2.gz VWEVZNODQPOXAH-AZUAARDMSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958866 1346794248 /nfs/dbraw/zinc/79/42/48/1346794248.db2.gz YHGSQUWOULZOQF-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958866 1346794250 /nfs/dbraw/zinc/79/42/50/1346794250.db2.gz YHGSQUWOULZOQF-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001047863395 1347393365 /nfs/dbraw/zinc/39/33/65/1347393365.db2.gz CUXVOGSSWNOSSX-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001047863395 1347393366 /nfs/dbraw/zinc/39/33/66/1347393366.db2.gz CUXVOGSSWNOSSX-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001052749387 1348660671 /nfs/dbraw/zinc/66/06/71/1348660671.db2.gz URQXXDQYYCLHDE-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001052749387 1348660674 /nfs/dbraw/zinc/66/06/74/1348660674.db2.gz URQXXDQYYCLHDE-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001052896457 1348732544 /nfs/dbraw/zinc/73/25/44/1348732544.db2.gz CAUBGWUIEGESBK-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001052896457 1348732548 /nfs/dbraw/zinc/73/25/48/1348732548.db2.gz CAUBGWUIEGESBK-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053023809 1348822625 /nfs/dbraw/zinc/82/26/25/1348822625.db2.gz KOSLCSLSJGGJLZ-QZTJIDSGSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053023809 1348822627 /nfs/dbraw/zinc/82/26/27/1348822627.db2.gz KOSLCSLSJGGJLZ-QZTJIDSGSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036510 1348836747 /nfs/dbraw/zinc/83/67/47/1348836747.db2.gz MAYCWIFWIGWION-RBUKOAKNSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036510 1348836751 /nfs/dbraw/zinc/83/67/51/1348836751.db2.gz MAYCWIFWIGWION-RBUKOAKNSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154233 1349157314 /nfs/dbraw/zinc/15/73/14/1349157314.db2.gz SGCMYYFZSKLUJS-FQEVSTJZSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154233 1349157315 /nfs/dbraw/zinc/15/73/15/1349157315.db2.gz SGCMYYFZSKLUJS-FQEVSTJZSA-N 2 2 340.471 3.147 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154979 1349158306 /nfs/dbraw/zinc/15/83/06/1349158306.db2.gz ZEJRZLONIXADGT-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154979 1349158307 /nfs/dbraw/zinc/15/83/07/1349158307.db2.gz ZEJRZLONIXADGT-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164846 1349167130 /nfs/dbraw/zinc/16/71/30/1349167130.db2.gz VKZCPFDKFUUUGF-HXUWFJFHSA-N 2 2 340.471 3.063 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164846 1349167131 /nfs/dbraw/zinc/16/71/31/1349167131.db2.gz VKZCPFDKFUUUGF-HXUWFJFHSA-N 2 2 340.471 3.063 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205557 1349206761 /nfs/dbraw/zinc/20/67/61/1349206761.db2.gz UOWLYPGWLTZBFG-QUCCMNQESA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205557 1349206762 /nfs/dbraw/zinc/20/67/62/1349206762.db2.gz UOWLYPGWLTZBFG-QUCCMNQESA-N 2 2 344.503 3.115 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054798716 1349465271 /nfs/dbraw/zinc/46/52/71/1349465271.db2.gz YBBBFBKQYSKWKF-IFXJQAMLSA-N 2 2 340.471 3.193 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2ccnc(Cl)c2Br)CC1 ZINC001233181757 1376580858 /nfs/dbraw/zinc/58/08/58/1376580858.db2.gz UOAXLUCOLNGUCE-UHFFFAOYSA-N 2 2 346.700 3.271 20 0 EGADLP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071512000 1354735413 /nfs/dbraw/zinc/73/54/13/1354735413.db2.gz SPOUXBNIBOBPMS-MAUKXSAKSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071512000 1354735415 /nfs/dbraw/zinc/73/54/15/1354735415.db2.gz SPOUXBNIBOBPMS-MAUKXSAKSA-N 2 2 340.471 3.192 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001074094896 1356079534 /nfs/dbraw/zinc/07/95/34/1356079534.db2.gz RWJHUCHFLUEHEH-GOSISDBHSA-N 2 2 344.503 3.074 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001074094896 1356079535 /nfs/dbraw/zinc/07/95/35/1356079535.db2.gz RWJHUCHFLUEHEH-GOSISDBHSA-N 2 2 344.503 3.074 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075451242 1356384847 /nfs/dbraw/zinc/38/48/47/1356384847.db2.gz OURLUDXIVLULLM-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001075451242 1356384851 /nfs/dbraw/zinc/38/48/51/1356384851.db2.gz OURLUDXIVLULLM-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106885 1363626005 /nfs/dbraw/zinc/62/60/05/1363626005.db2.gz QWBOTQAPLCYJLS-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106885 1363626006 /nfs/dbraw/zinc/62/60/06/1363626006.db2.gz QWBOTQAPLCYJLS-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106885 1363626008 /nfs/dbraw/zinc/62/60/08/1363626008.db2.gz QWBOTQAPLCYJLS-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106885 1363626010 /nfs/dbraw/zinc/62/60/10/1363626010.db2.gz QWBOTQAPLCYJLS-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099325736 1363751583 /nfs/dbraw/zinc/75/15/83/1363751583.db2.gz WQVAPDVPGCGQEG-INIZCTEOSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099325736 1363751587 /nfs/dbraw/zinc/75/15/87/1363751587.db2.gz WQVAPDVPGCGQEG-INIZCTEOSA-N 2 2 348.535 3.304 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001082771891 1358090100 /nfs/dbraw/zinc/09/01/00/1358090100.db2.gz WLFVYJIFFUQFHZ-ZIFCJYIRSA-N 2 2 344.503 3.161 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001183497249 1387313823 /nfs/dbraw/zinc/31/38/23/1387313823.db2.gz UBFPLOAVABLDHL-IAGOWNOFSA-N 2 2 334.508 3.097 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H]3CC[N@@H+]3CCC(C)(C)C)ccn12 ZINC001085596785 1358622300 /nfs/dbraw/zinc/62/23/00/1358622300.db2.gz JISRDPWXZHDPDC-QGZVFWFLSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H]3CC[N@H+]3CCC(C)(C)C)ccn12 ZINC001085596785 1358622303 /nfs/dbraw/zinc/62/23/03/1358622303.db2.gz JISRDPWXZHDPDC-QGZVFWFLSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1cccc(C[NH2+]C2(CNC(=O)c3c(C)cc(C)[nH+]c3C)CC2)c1 ZINC001323493390 1387377836 /nfs/dbraw/zinc/37/78/36/1387377836.db2.gz DPJXEIVFCZTEOA-UHFFFAOYSA-N 2 2 337.467 3.367 20 0 EGADLP CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001087292876 1359373429 /nfs/dbraw/zinc/37/34/29/1359373429.db2.gz TXPDKWNPMNOFPS-FHLIZLRMSA-N 2 2 340.471 3.192 20 0 EGADLP CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001087292876 1359373433 /nfs/dbraw/zinc/37/34/33/1359373433.db2.gz TXPDKWNPMNOFPS-FHLIZLRMSA-N 2 2 340.471 3.192 20 0 EGADLP C[C@H]([NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1)c1ccccc1 ZINC001088434095 1359902673 /nfs/dbraw/zinc/90/26/73/1359902673.db2.gz OZPQYVNJZSNUBU-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001323736915 1387439447 /nfs/dbraw/zinc/43/94/47/1387439447.db2.gz XZIIMLMGDQXWKL-QGZVFWFLSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001323736915 1387439449 /nfs/dbraw/zinc/43/94/49/1387439449.db2.gz XZIIMLMGDQXWKL-QGZVFWFLSA-N 2 2 346.519 3.193 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089169597 1360224352 /nfs/dbraw/zinc/22/43/52/1360224352.db2.gz ZHEANMMAMLVSJC-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089169597 1360224353 /nfs/dbraw/zinc/22/43/53/1360224353.db2.gz ZHEANMMAMLVSJC-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CC1(C)CC(C[NH2+]C2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001091098226 1360991793 /nfs/dbraw/zinc/99/17/93/1360991793.db2.gz HBCSTESPJLRYOG-UHFFFAOYSA-N 2 2 340.471 3.097 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078546 1361734225 /nfs/dbraw/zinc/73/42/25/1361734225.db2.gz BUTFINUABRSOPA-ZHALLVOQSA-N 2 2 344.503 3.019 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)[C@@H](C)C2)c(C)[nH+]1 ZINC001184852228 1387549503 /nfs/dbraw/zinc/54/95/03/1387549503.db2.gz UOSZTAXIXAMTFK-KQTBYGHGSA-N 2 2 349.906 3.447 20 0 EGADLP CCC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098833696 1363486683 /nfs/dbraw/zinc/48/66/83/1363486683.db2.gz SPXRNPXFLHSHHQ-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101376993 1364535130 /nfs/dbraw/zinc/53/51/30/1364535130.db2.gz NMAISQRDIGPAIA-GGPKGHCWSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101376993 1364535134 /nfs/dbraw/zinc/53/51/34/1364535134.db2.gz NMAISQRDIGPAIA-GGPKGHCWSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536516 1364605297 /nfs/dbraw/zinc/60/52/97/1364605297.db2.gz MNAIJZPLHBKMDY-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001101579456 1364631844 /nfs/dbraw/zinc/63/18/44/1364631844.db2.gz HYKIDQYICZLFNK-KRWDZBQOSA-N 2 2 348.535 3.489 20 0 EGADLP CC/C=C/CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579493 1364632347 /nfs/dbraw/zinc/63/23/47/1364632347.db2.gz JCAHVZOYRPNSQT-AATRIKPKSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613411 1365137765 /nfs/dbraw/zinc/13/77/65/1365137765.db2.gz AFQQRGGNNUKALS-CQQBRXBZSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613411 1365137766 /nfs/dbraw/zinc/13/77/66/1365137766.db2.gz AFQQRGGNNUKALS-CQQBRXBZSA-N 2 2 346.519 3.094 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001324667827 1387724430 /nfs/dbraw/zinc/72/44/30/1387724430.db2.gz AIEUGIGPEPMDLP-HXUWFJFHSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001324667827 1387724433 /nfs/dbraw/zinc/72/44/33/1387724433.db2.gz AIEUGIGPEPMDLP-HXUWFJFHSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@H](CC(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103478908 1365586677 /nfs/dbraw/zinc/58/66/77/1365586677.db2.gz CXISDDMXLJABOC-KZNAEPCWSA-N 2 2 348.535 3.345 20 0 EGADLP C[C@H](CC(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103478908 1365586684 /nfs/dbraw/zinc/58/66/84/1365586684.db2.gz CXISDDMXLJABOC-KZNAEPCWSA-N 2 2 348.535 3.345 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788609 1387800376 /nfs/dbraw/zinc/80/03/76/1387800376.db2.gz PMNCLTSCDDLLBZ-IEBWSBKVSA-N 2 2 348.535 3.174 20 0 EGADLP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954916 1366240970 /nfs/dbraw/zinc/24/09/70/1366240970.db2.gz ZLMUONLTOLTLOX-MYOVTOPRSA-N 2 2 346.519 3.081 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185787340 1387799488 /nfs/dbraw/zinc/79/94/88/1387799488.db2.gz FKILTUHQMOGVAO-LSLCWXNRSA-N 2 2 346.519 3.094 20 0 EGADLP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542673 1366520876 /nfs/dbraw/zinc/52/08/76/1366520876.db2.gz ZJFAITNBJJOHTK-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542673 1366520879 /nfs/dbraw/zinc/52/08/79/1366520879.db2.gz ZJFAITNBJJOHTK-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288077 1366643799 /nfs/dbraw/zinc/64/37/99/1366643799.db2.gz CLPHXULTLPURON-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748409 1366787669 /nfs/dbraw/zinc/78/76/69/1366787669.db2.gz ZJDXBJQBXWUCOT-DZZGLEFKSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748409 1366787671 /nfs/dbraw/zinc/78/76/71/1366787671.db2.gz ZJDXBJQBXWUCOT-DZZGLEFKSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772619 1367315074 /nfs/dbraw/zinc/31/50/74/1367315074.db2.gz PVBUITUIKOAOQN-UXKDMOBESA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772619 1367315080 /nfs/dbraw/zinc/31/50/80/1367315080.db2.gz PVBUITUIKOAOQN-UXKDMOBESA-N 2 2 344.503 3.302 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109773390 1367315106 /nfs/dbraw/zinc/31/51/06/1367315106.db2.gz SAUBMSLULKAGRN-BDXSIMOUSA-N 2 2 332.492 3.136 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109773390 1367315111 /nfs/dbraw/zinc/31/51/11/1367315111.db2.gz SAUBMSLULKAGRN-BDXSIMOUSA-N 2 2 332.492 3.136 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772620 1367315386 /nfs/dbraw/zinc/31/53/86/1367315386.db2.gz PVBUITUIKOAOQN-XJRAYOOOSA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772620 1367315390 /nfs/dbraw/zinc/31/53/90/1367315390.db2.gz PVBUITUIKOAOQN-XJRAYOOOSA-N 2 2 344.503 3.302 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818498 1367358658 /nfs/dbraw/zinc/35/86/58/1367358658.db2.gz QBLQDHLUBRHQPE-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818498 1367358662 /nfs/dbraw/zinc/35/86/62/1367358662.db2.gz QBLQDHLUBRHQPE-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818575 1367359951 /nfs/dbraw/zinc/35/99/51/1367359951.db2.gz RJHJSWYUYJFORU-ROUUACIJSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818575 1367359958 /nfs/dbraw/zinc/35/99/58/1367359958.db2.gz RJHJSWYUYJFORU-ROUUACIJSA-N 2 2 334.508 3.049 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001191257019 1367460488 /nfs/dbraw/zinc/46/04/88/1367460488.db2.gz HWXAVCKPXPLNDC-QUCCMNQESA-N 2 2 345.531 3.400 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001191257019 1367460491 /nfs/dbraw/zinc/46/04/91/1367460491.db2.gz HWXAVCKPXPLNDC-QUCCMNQESA-N 2 2 345.531 3.400 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834435 1367627030 /nfs/dbraw/zinc/62/70/30/1367627030.db2.gz OGPFXADYXUTNSI-FHWLQOOXSA-N 2 2 346.519 3.069 20 0 EGADLP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217512 1367968325 /nfs/dbraw/zinc/96/83/25/1367968325.db2.gz HHPSHMKSKPWDOI-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217512 1367968331 /nfs/dbraw/zinc/96/83/31/1367968331.db2.gz HHPSHMKSKPWDOI-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125806 1368161557 /nfs/dbraw/zinc/16/15/57/1368161557.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125806 1368161562 /nfs/dbraw/zinc/16/15/62/1368161562.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125806 1368161565 /nfs/dbraw/zinc/16/15/65/1368161565.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125806 1368161571 /nfs/dbraw/zinc/16/15/71/1368161571.db2.gz NDSLUUWPVIJMBK-XLVWSCLWSA-N 2 2 344.503 3.056 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449912 1368264398 /nfs/dbraw/zinc/26/43/98/1368264398.db2.gz ZFOKBZKCTYQBDF-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449912 1368264400 /nfs/dbraw/zinc/26/44/00/1368264400.db2.gz ZFOKBZKCTYQBDF-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC001194908187 1368345454 /nfs/dbraw/zinc/34/54/54/1368345454.db2.gz VIYPPWNPXVZJOC-UHFFFAOYSA-N 2 2 340.471 3.129 20 0 EGADLP CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196269020 1368579350 /nfs/dbraw/zinc/57/93/50/1368579350.db2.gz QGSOEXOJHOZRTN-UHFFFAOYSA-N 2 2 334.508 3.041 20 0 EGADLP CCCCCC[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196269020 1368579351 /nfs/dbraw/zinc/57/93/51/1368579351.db2.gz QGSOEXOJHOZRTN-UHFFFAOYSA-N 2 2 334.508 3.041 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631718 1368652887 /nfs/dbraw/zinc/65/28/87/1368652887.db2.gz HRAHNXVTIKXGFA-VVLHAWIVSA-N 2 2 335.289 3.318 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631718 1368652890 /nfs/dbraw/zinc/65/28/90/1368652890.db2.gz HRAHNXVTIKXGFA-VVLHAWIVSA-N 2 2 335.289 3.318 20 0 EGADLP C[C@H](CC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001197284338 1368780287 /nfs/dbraw/zinc/78/02/87/1368780287.db2.gz YKKIEIXKUZJOCZ-QGZVFWFLSA-N 2 2 334.508 3.195 20 0 EGADLP C[C@H](CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001197284338 1368780290 /nfs/dbraw/zinc/78/02/90/1368780290.db2.gz YKKIEIXKUZJOCZ-QGZVFWFLSA-N 2 2 334.508 3.195 20 0 EGADLP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537746 1368918882 /nfs/dbraw/zinc/91/88/82/1368918882.db2.gz WZYWZFIYKHQMJW-BJLQDIEVSA-N 2 2 346.519 3.099 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001199266300 1369200464 /nfs/dbraw/zinc/20/04/64/1369200464.db2.gz GXFPGUZONLEUAZ-ZWKOTPCHSA-N 2 2 345.531 3.374 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001199266300 1369200469 /nfs/dbraw/zinc/20/04/69/1369200469.db2.gz GXFPGUZONLEUAZ-ZWKOTPCHSA-N 2 2 345.531 3.374 20 0 EGADLP CC/C=C\CC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200570348 1369391617 /nfs/dbraw/zinc/39/16/17/1369391617.db2.gz AYKWHOZCPOCZQU-PLNGDYQASA-N 2 2 340.471 3.193 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C ZINC001113439717 1369429702 /nfs/dbraw/zinc/42/97/02/1369429702.db2.gz PRYBCTXSDVEZCJ-HXUWFJFHSA-N 2 2 345.531 3.006 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857975 1369910371 /nfs/dbraw/zinc/91/03/71/1369910371.db2.gz YVYJWQVFRDGSFD-ADDHZHGLSA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013268 1369954475 /nfs/dbraw/zinc/95/44/75/1369954475.db2.gz IQDDJEGMDSQBQO-KKSLTYSGSA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013268 1369954479 /nfs/dbraw/zinc/95/44/79/1369954479.db2.gz IQDDJEGMDSQBQO-KKSLTYSGSA-N 2 2 344.503 3.106 20 0 EGADLP CC(C)(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114461288 1369954565 /nfs/dbraw/zinc/95/45/65/1369954565.db2.gz OHGAODGFGPFJGL-HWWDLCQESA-N 2 2 340.471 3.049 20 0 EGADLP CC(C)(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114461288 1369954567 /nfs/dbraw/zinc/95/45/67/1369954567.db2.gz OHGAODGFGPFJGL-HWWDLCQESA-N 2 2 340.471 3.049 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203076900 1369974608 /nfs/dbraw/zinc/97/46/08/1369974608.db2.gz ANANCONBRCBUII-QZTJIDSGSA-N 2 2 340.471 3.384 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001203193794 1370020328 /nfs/dbraw/zinc/02/03/28/1370020328.db2.gz LRWNDXAVIZZBQT-UHFFFAOYSA-N 2 2 342.458 3.414 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001203193794 1370020331 /nfs/dbraw/zinc/02/03/31/1370020331.db2.gz LRWNDXAVIZZBQT-UHFFFAOYSA-N 2 2 342.458 3.414 20 0 EGADLP CCc1[nH]c(C[NH+]2CCC3(CC[C@H](COC(C)=O)C3)CC2)c(C)[nH+]1 ZINC001203251210 1370041254 /nfs/dbraw/zinc/04/12/54/1370041254.db2.gz MWWAXJOEIDNIJD-INIZCTEOSA-N 2 2 333.476 3.226 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001204033943 1370354796 /nfs/dbraw/zinc/35/47/96/1370354796.db2.gz FHCBLAQANOVDQV-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001204033943 1370354801 /nfs/dbraw/zinc/35/48/01/1370354801.db2.gz FHCBLAQANOVDQV-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001204033943 1370354804 /nfs/dbraw/zinc/35/48/04/1370354804.db2.gz FHCBLAQANOVDQV-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001204033943 1370354806 /nfs/dbraw/zinc/35/48/06/1370354806.db2.gz FHCBLAQANOVDQV-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(OC)c1C ZINC001204265369 1370426320 /nfs/dbraw/zinc/42/63/20/1370426320.db2.gz GACSMXBAAMRNEQ-QGZVFWFLSA-N 2 2 342.439 3.369 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(OC)c1C ZINC001204265369 1370426323 /nfs/dbraw/zinc/42/63/23/1370426323.db2.gz GACSMXBAAMRNEQ-QGZVFWFLSA-N 2 2 342.439 3.369 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115509940 1370508433 /nfs/dbraw/zinc/50/84/33/1370508433.db2.gz HQEULRNJPMDBKR-KRWDZBQOSA-N 2 2 348.535 3.433 20 0 EGADLP FC(F)(F)c1ccc(N2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001204749141 1370564676 /nfs/dbraw/zinc/56/46/76/1370564676.db2.gz ZEEGWKXJLPBSGF-MRXNPFEDSA-N 2 2 341.421 3.360 20 0 EGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001204782454 1370574917 /nfs/dbraw/zinc/57/49/17/1370574917.db2.gz DWTZMFQITGVIKK-QGZVFWFLSA-N 2 2 346.272 3.434 20 0 EGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001204782454 1370574921 /nfs/dbraw/zinc/57/49/21/1370574921.db2.gz DWTZMFQITGVIKK-QGZVFWFLSA-N 2 2 346.272 3.434 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115591886 1370592920 /nfs/dbraw/zinc/59/29/20/1370592920.db2.gz JSUCRAFYGFMQKK-MRXNPFEDSA-N 2 2 347.503 3.088 20 0 EGADLP c1nc2n(c1C[NH+]1CCC(CCCc3ccccc3)CC1)CC[NH2+]C2 ZINC001204885070 1370596342 /nfs/dbraw/zinc/59/63/42/1370596342.db2.gz GXSBJSMCOICFRO-UHFFFAOYSA-N 2 2 338.499 3.221 20 0 EGADLP C[C@@H](F)CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115595090 1370596778 /nfs/dbraw/zinc/59/67/78/1370596778.db2.gz NRLYQYDYJWKLPO-CQSZACIVSA-N 2 2 346.450 3.333 20 0 EGADLP [NH3+]Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001204959066 1370615744 /nfs/dbraw/zinc/61/57/44/1370615744.db2.gz ZIHZHDMCCLNNMC-FQEVSTJZSA-N 2 2 338.451 3.243 20 0 EGADLP [NH3+]Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)c1 ZINC001204959066 1370615747 /nfs/dbraw/zinc/61/57/47/1370615747.db2.gz ZIHZHDMCCLNNMC-FQEVSTJZSA-N 2 2 338.451 3.243 20 0 EGADLP Cn1c[nH+]cc1-c1ccc(-c2ccc(OCCC[NH+](C)C)nc2)cc1 ZINC001205247689 1370694461 /nfs/dbraw/zinc/69/44/61/1370694461.db2.gz GAKGFYVHEQVEJH-UHFFFAOYSA-N 2 2 336.439 3.480 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273825 1370702802 /nfs/dbraw/zinc/70/28/02/1370702802.db2.gz PVRNPEQJJUDILM-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205273825 1370702808 /nfs/dbraw/zinc/70/28/08/1370702808.db2.gz PVRNPEQJJUDILM-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC001205304253 1370713782 /nfs/dbraw/zinc/71/37/82/1370713782.db2.gz NIOCFZRDGTWSHJ-GXFFZTMASA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC001205304253 1370713785 /nfs/dbraw/zinc/71/37/85/1370713785.db2.gz NIOCFZRDGTWSHJ-GXFFZTMASA-N 2 2 329.257 3.313 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205303965 1370713886 /nfs/dbraw/zinc/71/38/86/1370713886.db2.gz LWAKMAQMILFEBN-MNOVXSKESA-N 2 2 331.323 3.490 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205303965 1370713892 /nfs/dbraw/zinc/71/38/92/1370713892.db2.gz LWAKMAQMILFEBN-MNOVXSKESA-N 2 2 331.323 3.490 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205319298 1370721330 /nfs/dbraw/zinc/72/13/30/1370721330.db2.gz YUSXIAZAYYNJQI-JSGCOSHPSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205319298 1370721333 /nfs/dbraw/zinc/72/13/33/1370721333.db2.gz YUSXIAZAYYNJQI-JSGCOSHPSA-N 2 2 341.293 3.183 20 0 EGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC001205692590 1370844118 /nfs/dbraw/zinc/84/41/18/1370844118.db2.gz GOOMWPOAFRTDEQ-UHFFFAOYSA-N 2 2 349.519 3.165 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC001205692590 1370844123 /nfs/dbraw/zinc/84/41/23/1370844123.db2.gz GOOMWPOAFRTDEQ-UHFFFAOYSA-N 2 2 349.519 3.165 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Br)cc1F ZINC001205912718 1370908492 /nfs/dbraw/zinc/90/84/92/1370908492.db2.gz BTTNTLJDRVVWFW-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(Br)cc1F ZINC001205912718 1370908496 /nfs/dbraw/zinc/90/84/96/1370908496.db2.gz BTTNTLJDRVVWFW-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814348 1370880307 /nfs/dbraw/zinc/88/03/07/1370880307.db2.gz CCTWSQQHXZGVEO-GDBMZVCRSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814348 1370880313 /nfs/dbraw/zinc/88/03/13/1370880313.db2.gz CCTWSQQHXZGVEO-GDBMZVCRSA-N 2 2 328.456 3.416 20 0 EGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001205932513 1370915847 /nfs/dbraw/zinc/91/58/47/1370915847.db2.gz KZJQBFCTSRIEBC-LVCYWYKZSA-N 2 2 332.532 3.456 20 0 EGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001205932513 1370915850 /nfs/dbraw/zinc/91/58/50/1370915850.db2.gz KZJQBFCTSRIEBC-LVCYWYKZSA-N 2 2 332.532 3.456 20 0 EGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001205939849 1370919337 /nfs/dbraw/zinc/91/93/37/1370919337.db2.gz UONBTHLNIQWNQE-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001205939849 1370919341 /nfs/dbraw/zinc/91/93/41/1370919341.db2.gz UONBTHLNIQWNQE-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C)c1Br ZINC001206185192 1370984790 /nfs/dbraw/zinc/98/47/90/1370984790.db2.gz LLSLBZUQGMFIQX-KBPBESRZSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C)c1Br ZINC001206185192 1370984786 /nfs/dbraw/zinc/98/47/86/1370984786.db2.gz LLSLBZUQGMFIQX-KBPBESRZSA-N 2 2 329.257 3.327 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@@H]1F ZINC001206185335 1370986094 /nfs/dbraw/zinc/98/60/94/1370986094.db2.gz MUASQLWHMNFCJC-RYUDHWBXSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@@H]1F ZINC001206185335 1370986099 /nfs/dbraw/zinc/98/60/99/1370986099.db2.gz MUASQLWHMNFCJC-RYUDHWBXSA-N 2 2 340.748 3.500 20 0 EGADLP CC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238221 1371001119 /nfs/dbraw/zinc/00/11/19/1371001119.db2.gz JOVIKSCTZLAJGJ-LIMHQNJXSA-N 2 2 344.503 3.014 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3cc(Br)ccc3n2)C1 ZINC001206276097 1371009537 /nfs/dbraw/zinc/00/95/37/1371009537.db2.gz BUGJIHYJLWCINU-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3cc(Br)ccc3n2)C1 ZINC001206276097 1371009543 /nfs/dbraw/zinc/00/95/43/1371009543.db2.gz BUGJIHYJLWCINU-GFCCVEGCSA-N 2 2 334.261 3.039 20 0 EGADLP CS[C@@H]1CC[C@H]([N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068729 1371009804 /nfs/dbraw/zinc/00/98/04/1371009804.db2.gz NECWLISCDGSECA-SLFFLAALSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@H]([N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068729 1371009806 /nfs/dbraw/zinc/00/98/06/1371009806.db2.gz NECWLISCDGSECA-SLFFLAALSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@H]([NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068729 1371009809 /nfs/dbraw/zinc/00/98/09/1371009809.db2.gz NECWLISCDGSECA-SLFFLAALSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@H]([NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068729 1371009813 /nfs/dbraw/zinc/00/98/13/1371009813.db2.gz NECWLISCDGSECA-SLFFLAALSA-N 2 2 348.556 3.493 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001206326504 1371023408 /nfs/dbraw/zinc/02/34/08/1371023408.db2.gz OGOBAPIDKBJLHG-SFHVURJKSA-N 3 2 332.879 3.477 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001206326504 1371023415 /nfs/dbraw/zinc/02/34/15/1371023415.db2.gz OGOBAPIDKBJLHG-SFHVURJKSA-N 3 2 332.879 3.477 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206362909 1371034134 /nfs/dbraw/zinc/03/41/34/1371034134.db2.gz SPEXYJQYNKVUHQ-LJQANCHMSA-N 2 2 336.451 3.295 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206362909 1371034140 /nfs/dbraw/zinc/03/41/40/1371034140.db2.gz SPEXYJQYNKVUHQ-LJQANCHMSA-N 2 2 336.451 3.295 20 0 EGADLP CC(C)CCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427164 1371050606 /nfs/dbraw/zinc/05/06/06/1371050606.db2.gz ACWFXMLNNFBWQD-KRWDZBQOSA-N 2 2 334.508 3.099 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1C(C)(C)[NH3+] ZINC001206533225 1371085331 /nfs/dbraw/zinc/08/53/31/1371085331.db2.gz XSZXCEDKDYVSSE-UHFFFAOYSA-N 2 2 340.467 3.388 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206540793 1371087831 /nfs/dbraw/zinc/08/78/31/1371087831.db2.gz DAPJIINPOSREMN-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206540793 1371087834 /nfs/dbraw/zinc/08/78/34/1371087834.db2.gz DAPJIINPOSREMN-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206617045 1371110117 /nfs/dbraw/zinc/11/01/17/1371110117.db2.gz YVBHDIOIQNYKBK-CYBMUJFWSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206617045 1371110119 /nfs/dbraw/zinc/11/01/19/1371110119.db2.gz YVBHDIOIQNYKBK-CYBMUJFWSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1-n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001206729225 1371147282 /nfs/dbraw/zinc/14/72/82/1371147282.db2.gz HZEDVQSQFRWMIO-UHFFFAOYSA-N 2 2 337.402 3.114 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770985 1371159422 /nfs/dbraw/zinc/15/94/22/1371159422.db2.gz VLQMWROJPYPBSR-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206770985 1371159424 /nfs/dbraw/zinc/15/94/24/1371159424.db2.gz VLQMWROJPYPBSR-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206772214 1371160465 /nfs/dbraw/zinc/16/04/65/1371160465.db2.gz ZIXBGKNNUSQRPU-CHWSQXEVSA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206772214 1371160467 /nfs/dbraw/zinc/16/04/67/1371160467.db2.gz ZIXBGKNNUSQRPU-CHWSQXEVSA-N 2 2 333.863 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1O ZINC001206808063 1371175864 /nfs/dbraw/zinc/17/58/64/1371175864.db2.gz JSBLMIYQTOZMQK-RYUDHWBXSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1O ZINC001206808063 1371175869 /nfs/dbraw/zinc/17/58/69/1371175869.db2.gz JSBLMIYQTOZMQK-RYUDHWBXSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001207058676 1371281211 /nfs/dbraw/zinc/28/12/11/1371281211.db2.gz HVRYYGSXKAQXFD-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001207058676 1371281215 /nfs/dbraw/zinc/28/12/15/1371281215.db2.gz HVRYYGSXKAQXFD-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001207058676 1371281218 /nfs/dbraw/zinc/28/12/18/1371281218.db2.gz HVRYYGSXKAQXFD-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001207058676 1371281222 /nfs/dbraw/zinc/28/12/22/1371281222.db2.gz HVRYYGSXKAQXFD-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP CCc1nccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC001207084307 1371288587 /nfs/dbraw/zinc/28/85/87/1371288587.db2.gz PZAFMPDXVYALMO-UHFFFAOYSA-N 2 2 347.466 3.218 20 0 EGADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001207255983 1371342392 /nfs/dbraw/zinc/34/23/92/1371342392.db2.gz CXKPVMSKLRFTEJ-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001207255983 1371342396 /nfs/dbraw/zinc/34/23/96/1371342396.db2.gz CXKPVMSKLRFTEJ-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001207255983 1371342398 /nfs/dbraw/zinc/34/23/98/1371342398.db2.gz CXKPVMSKLRFTEJ-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001207255983 1371342401 /nfs/dbraw/zinc/34/24/01/1371342401.db2.gz CXKPVMSKLRFTEJ-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP CC[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001207291719 1371352999 /nfs/dbraw/zinc/35/29/99/1371352999.db2.gz VOXKVCPQPFKEQJ-UHFFFAOYSA-N 3 2 329.532 3.315 20 0 EGADLP CC[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001207291719 1371353004 /nfs/dbraw/zinc/35/30/04/1371353004.db2.gz VOXKVCPQPFKEQJ-UHFFFAOYSA-N 3 2 329.532 3.315 20 0 EGADLP Clc1cccc([C@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC001119610629 1371374312 /nfs/dbraw/zinc/37/43/12/1371374312.db2.gz BETQESSNKPAVMK-FUHWJXTLSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1cccc([C@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC001119610629 1371374318 /nfs/dbraw/zinc/37/43/18/1371374318.db2.gz BETQESSNKPAVMK-FUHWJXTLSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1cccc([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC001119610631 1371374573 /nfs/dbraw/zinc/37/45/73/1371374573.db2.gz BETQESSNKPAVMK-WMZOPIPTSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1cccc([C@@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC001119610631 1371374576 /nfs/dbraw/zinc/37/45/76/1371374576.db2.gz BETQESSNKPAVMK-WMZOPIPTSA-N 2 2 345.878 3.193 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC[C@H]3CCCO)cc2)CC1 ZINC001119631757 1371379563 /nfs/dbraw/zinc/37/95/63/1371379563.db2.gz DEIKNQIYFNZKIU-FXAWDEMLSA-N 2 2 331.504 3.182 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1F)[C@@H]2C ZINC001207499730 1371415904 /nfs/dbraw/zinc/41/59/04/1371415904.db2.gz XILWGOJQOWURRW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1F)[C@@H]2C ZINC001207499730 1371415906 /nfs/dbraw/zinc/41/59/06/1371415906.db2.gz XILWGOJQOWURRW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccccc1F)[C@@H]2C ZINC001207499730 1371415910 /nfs/dbraw/zinc/41/59/10/1371415910.db2.gz XILWGOJQOWURRW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccccc1F)[C@@H]2C ZINC001207499730 1371415911 /nfs/dbraw/zinc/41/59/11/1371415911.db2.gz XILWGOJQOWURRW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624296 1371456068 /nfs/dbraw/zinc/45/60/68/1371456068.db2.gz AWXXQLLYPZVJQQ-WNRNVDISSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624296 1371456070 /nfs/dbraw/zinc/45/60/70/1371456070.db2.gz AWXXQLLYPZVJQQ-WNRNVDISSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624296 1371456071 /nfs/dbraw/zinc/45/60/71/1371456071.db2.gz AWXXQLLYPZVJQQ-WNRNVDISSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624296 1371456075 /nfs/dbraw/zinc/45/60/75/1371456075.db2.gz AWXXQLLYPZVJQQ-WNRNVDISSA-N 2 2 328.504 3.312 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461198 1371583988 /nfs/dbraw/zinc/58/39/88/1371583988.db2.gz RWFSEZRKZSYUFX-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461198 1371583989 /nfs/dbraw/zinc/58/39/89/1371583989.db2.gz RWFSEZRKZSYUFX-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(F)c1)[C@@H]2C ZINC001208197397 1371639466 /nfs/dbraw/zinc/63/94/66/1371639466.db2.gz QIIKGQKEUDPAHW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(F)c1)[C@@H]2C ZINC001208197397 1371639470 /nfs/dbraw/zinc/63/94/70/1371639470.db2.gz QIIKGQKEUDPAHW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cccc(F)c1)[C@@H]2C ZINC001208197397 1371639471 /nfs/dbraw/zinc/63/94/71/1371639471.db2.gz QIIKGQKEUDPAHW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cccc(F)c1)[C@@H]2C ZINC001208197397 1371639472 /nfs/dbraw/zinc/63/94/72/1371639472.db2.gz QIIKGQKEUDPAHW-MRXNPFEDSA-N 2 2 344.478 3.482 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386781 1371747023 /nfs/dbraw/zinc/74/70/23/1371747023.db2.gz HMOBXMRVMQJAOU-RTBURBONSA-N 2 2 348.535 3.487 20 0 EGADLP CCCCOCC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208647537 1371850459 /nfs/dbraw/zinc/85/04/59/1371850459.db2.gz BVEOOEXRIWPBOM-GOSISDBHSA-N 2 2 347.503 3.018 20 0 EGADLP CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208805227 1371900956 /nfs/dbraw/zinc/90/09/56/1371900956.db2.gz AWQCIFXSCXHBQS-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP CCOC(=O)c1ccc(CCC[N@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001208870858 1371926474 /nfs/dbraw/zinc/92/64/74/1371926474.db2.gz NFGRKAWQCBBOJN-UHFFFAOYSA-N 2 2 332.488 3.212 20 0 EGADLP CCOC(=O)c1ccc(CCC[N@@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001208870858 1371926477 /nfs/dbraw/zinc/92/64/77/1371926477.db2.gz NFGRKAWQCBBOJN-UHFFFAOYSA-N 2 2 332.488 3.212 20 0 EGADLP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001326368368 1388167810 /nfs/dbraw/zinc/16/78/10/1388167810.db2.gz BKDKEWPFJHPOCO-MSOLQXFVSA-N 2 2 338.455 3.342 20 0 EGADLP CC1(C[NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)CCCCC1 ZINC001208903998 1371939853 /nfs/dbraw/zinc/93/98/53/1371939853.db2.gz WTATYEPOGGFQLQ-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP CCC(=O)C(C)(C)C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208914946 1371941836 /nfs/dbraw/zinc/94/18/36/1371941836.db2.gz BYWUTEUPRAFQDE-KDURUIRLSA-N 2 2 328.500 3.364 20 0 EGADLP CCC(=O)C(C)(C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208914946 1371941840 /nfs/dbraw/zinc/94/18/40/1371941840.db2.gz BYWUTEUPRAFQDE-KDURUIRLSA-N 2 2 328.500 3.364 20 0 EGADLP CCC(=O)C(C)(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208914946 1371941844 /nfs/dbraw/zinc/94/18/44/1371941844.db2.gz BYWUTEUPRAFQDE-KDURUIRLSA-N 2 2 328.500 3.364 20 0 EGADLP CCC(=O)C(C)(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208914946 1371941855 /nfs/dbraw/zinc/94/18/55/1371941855.db2.gz BYWUTEUPRAFQDE-KDURUIRLSA-N 2 2 328.500 3.364 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208995138 1371969501 /nfs/dbraw/zinc/96/95/01/1371969501.db2.gz HGXIQIZRKQQGQR-ZIFCJYIRSA-N 2 2 344.503 3.161 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208995138 1371969503 /nfs/dbraw/zinc/96/95/03/1371969503.db2.gz HGXIQIZRKQQGQR-ZIFCJYIRSA-N 2 2 344.503 3.161 20 0 EGADLP CCCC[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC001121443623 1371976282 /nfs/dbraw/zinc/97/62/82/1371976282.db2.gz OOPVJXFHRSMBMA-UHFFFAOYSA-N 2 2 329.488 3.438 20 0 EGADLP CC(C)[N@H+](CCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209372739 1372080559 /nfs/dbraw/zinc/08/05/59/1372080559.db2.gz BAVLKURRVICOBH-UHFFFAOYSA-N 2 2 341.540 3.486 20 0 EGADLP CC(C)[N@@H+](CCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209372739 1372080563 /nfs/dbraw/zinc/08/05/63/1372080563.db2.gz BAVLKURRVICOBH-UHFFFAOYSA-N 2 2 341.540 3.486 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209447731 1372107980 /nfs/dbraw/zinc/10/79/80/1372107980.db2.gz FJYLLZGGVPORKY-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209447731 1372107982 /nfs/dbraw/zinc/10/79/82/1372107982.db2.gz FJYLLZGGVPORKY-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP Cn1nc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c2ccccc21 ZINC001209585391 1372144070 /nfs/dbraw/zinc/14/40/70/1372144070.db2.gz ROZBAVLBZCQZCS-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1nc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c2ccccc21 ZINC001209585391 1372144073 /nfs/dbraw/zinc/14/40/73/1372144073.db2.gz ROZBAVLBZCQZCS-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP C[NH+]1CCN(c2ccc(F)cc2Nc2ccc3[nH]c[nH+]c3c2)CC1 ZINC001209846556 1372212380 /nfs/dbraw/zinc/21/23/80/1372212380.db2.gz FIMPZSJKUHUDSE-UHFFFAOYSA-N 2 2 325.391 3.197 20 0 EGADLP OCC[NH+]1CCN(c2ccc(Nc3cccc4cc[nH+]cc43)cc2)CC1 ZINC001210229993 1372300305 /nfs/dbraw/zinc/30/03/05/1372300305.db2.gz FWNDBKFIISUYGL-UHFFFAOYSA-N 2 2 348.450 3.093 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC001212968145 1372807515 /nfs/dbraw/zinc/80/75/15/1372807515.db2.gz LYVQPNKJAKJSMR-UHFFFAOYSA-N 2 2 339.487 3.423 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001129893423 1373432779 /nfs/dbraw/zinc/43/27/79/1373432779.db2.gz QRAWEEJXXARRRF-OAGGEKHMSA-N 2 2 346.862 3.024 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001129893423 1373432782 /nfs/dbraw/zinc/43/27/82/1373432782.db2.gz QRAWEEJXXARRRF-OAGGEKHMSA-N 2 2 346.862 3.024 20 0 EGADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c(C)s1 ZINC001130006698 1373445475 /nfs/dbraw/zinc/44/54/75/1373445475.db2.gz PNHDNDDRJXKJKL-QGZVFWFLSA-N 2 2 348.516 3.055 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4cccc5c[nH+]cn54)n3)cc2)c[nH+]1 ZINC001217588759 1373468776 /nfs/dbraw/zinc/46/87/76/1373468776.db2.gz CYUQMTDQKUDBBM-UHFFFAOYSA-N 2 2 328.335 3.237 20 0 EGADLP Clc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278242 1373823628 /nfs/dbraw/zinc/82/36/28/1373823628.db2.gz YSXPUZIVMXOOJT-IBGZPJMESA-N 2 2 344.890 3.491 20 0 EGADLP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278242 1373823630 /nfs/dbraw/zinc/82/36/30/1373823630.db2.gz YSXPUZIVMXOOJT-IBGZPJMESA-N 2 2 344.890 3.491 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001224795472 1375077082 /nfs/dbraw/zinc/07/70/82/1375077082.db2.gz IJMLESMULQIEFL-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001224795472 1375077086 /nfs/dbraw/zinc/07/70/86/1375077086.db2.gz IJMLESMULQIEFL-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961478 1375180103 /nfs/dbraw/zinc/18/01/03/1375180103.db2.gz OJIFCNACCKIHKH-GVDBMIGSSA-N 2 2 334.508 3.042 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC(C)(C)C ZINC001132546566 1375453166 /nfs/dbraw/zinc/45/31/66/1375453166.db2.gz NXYRURQGBPLXNM-IAGOWNOFSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC(C)(C)C ZINC001132546566 1375453167 /nfs/dbraw/zinc/45/31/67/1375453167.db2.gz NXYRURQGBPLXNM-IAGOWNOFSA-N 2 2 334.508 3.069 20 0 EGADLP CCCCC[NH+]1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922724 1375491673 /nfs/dbraw/zinc/49/16/73/1375491673.db2.gz FEMGGQHDURMXCB-SFHVURJKSA-N 2 2 334.508 3.241 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529564 1375587710 /nfs/dbraw/zinc/58/77/10/1375587710.db2.gz UDWFHPVTKCDNBG-OTLMLMNOSA-N 2 2 344.503 3.203 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228528329 1375588202 /nfs/dbraw/zinc/58/82/02/1375588202.db2.gz CLRWFTAODKTOSJ-GVDBMIGSSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001228852347 1375693580 /nfs/dbraw/zinc/69/35/80/1375693580.db2.gz JBIKTQKYWTZXJX-BHIYHBOVSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001132993389 1375700456 /nfs/dbraw/zinc/70/04/56/1375700456.db2.gz RHZBUANUMDMBJJ-SUMWQHHRSA-N 2 2 335.467 3.054 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC001230517271 1376049750 /nfs/dbraw/zinc/04/97/50/1376049750.db2.gz YJBSELLVHCYCQA-IGOJGBNBSA-N 2 2 348.450 3.435 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3[C@@H]4CC[C@H]3C[N@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC001230517271 1376049757 /nfs/dbraw/zinc/04/97/57/1376049757.db2.gz YJBSELLVHCYCQA-IGOJGBNBSA-N 2 2 348.450 3.435 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230581203 1376085578 /nfs/dbraw/zinc/08/55/78/1376085578.db2.gz WNKKKUMRBOCMCI-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001230581203 1376085590 /nfs/dbraw/zinc/08/55/90/1376085590.db2.gz WNKKKUMRBOCMCI-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP c1cn2c([nH+]1)CC[N@H+](Cc1ccc(OC3CCCCC3)nc1)CC2 ZINC001231872540 1376333856 /nfs/dbraw/zinc/33/38/56/1376333856.db2.gz GJBIJOCTOLQGDM-UHFFFAOYSA-N 2 2 326.444 3.048 20 0 EGADLP c1cn2c([nH+]1)CC[N@@H+](Cc1ccc(OC3CCCCC3)nc1)CC2 ZINC001231872540 1376333864 /nfs/dbraw/zinc/33/38/64/1376333864.db2.gz GJBIJOCTOLQGDM-UHFFFAOYSA-N 2 2 326.444 3.048 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)cc1 ZINC001232014198 1376384321 /nfs/dbraw/zinc/38/43/21/1376384321.db2.gz ZXGOMWBMNJYKNH-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)cc1 ZINC001232014198 1376384324 /nfs/dbraw/zinc/38/43/24/1376384324.db2.gz ZXGOMWBMNJYKNH-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)cc1 ZINC001232014198 1376384328 /nfs/dbraw/zinc/38/43/28/1376384328.db2.gz ZXGOMWBMNJYKNH-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)cc1 ZINC001232014198 1376384332 /nfs/dbraw/zinc/38/43/32/1376384332.db2.gz ZXGOMWBMNJYKNH-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134230391 1376424779 /nfs/dbraw/zinc/42/47/79/1376424779.db2.gz XJCBMUXHOSAVJJ-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3cccc(F)c3)nc1)C2 ZINC001232889585 1376532596 /nfs/dbraw/zinc/53/25/96/1376532596.db2.gz HWKIVQOGVWVJET-YLJYHZDGSA-N 2 2 325.431 3.271 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3cccc(F)c3)nc1)C2 ZINC001232889585 1376532600 /nfs/dbraw/zinc/53/26/00/1376532600.db2.gz HWKIVQOGVWVJET-YLJYHZDGSA-N 2 2 325.431 3.271 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(O)cc(Br)c1 ZINC001232997988 1376552820 /nfs/dbraw/zinc/55/28/20/1376552820.db2.gz CFPPIBQHOSNPII-UHFFFAOYSA-N 2 2 327.266 3.072 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(O)cc(Br)c1 ZINC001232997988 1376552821 /nfs/dbraw/zinc/55/28/21/1376552821.db2.gz CFPPIBQHOSNPII-UHFFFAOYSA-N 2 2 327.266 3.072 20 0 EGADLP Cc1cnsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322280 1376615630 /nfs/dbraw/zinc/61/56/30/1376615630.db2.gz ZBYVSOWBYYFMNK-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322280 1376615635 /nfs/dbraw/zinc/61/56/35/1376615635.db2.gz ZBYVSOWBYYFMNK-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322280 1376615640 /nfs/dbraw/zinc/61/56/40/1376615640.db2.gz ZBYVSOWBYYFMNK-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322280 1376615646 /nfs/dbraw/zinc/61/56/46/1376615646.db2.gz ZBYVSOWBYYFMNK-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001134732871 1376684336 /nfs/dbraw/zinc/68/43/36/1376684336.db2.gz PKCJWUYAKLZCLQ-JKSUJKDBSA-N 2 2 347.503 3.086 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968477 1376817750 /nfs/dbraw/zinc/81/77/50/1376817750.db2.gz BZTGJRJDMGROBQ-JKSUJKDBSA-N 2 2 330.476 3.257 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112519 1376847306 /nfs/dbraw/zinc/84/73/06/1376847306.db2.gz YBVULQNIUJFBLH-NRFANRHFSA-N 2 2 332.451 3.353 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001235112519 1376847310 /nfs/dbraw/zinc/84/73/10/1376847310.db2.gz YBVULQNIUJFBLH-NRFANRHFSA-N 2 2 332.451 3.353 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1-c1ccccc1 ZINC001235115694 1376848594 /nfs/dbraw/zinc/84/85/94/1376848594.db2.gz GUFWOYSHARKWAC-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1-c1ccccc1 ZINC001235115694 1376848599 /nfs/dbraw/zinc/84/85/99/1376848599.db2.gz GUFWOYSHARKWAC-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3cc4c(cccc4Br)[nH]3)C2)CC1 ZINC001235221652 1376861368 /nfs/dbraw/zinc/86/13/68/1376861368.db2.gz AIYOHRDYYMTWSS-UHFFFAOYSA-N 2 2 348.288 3.458 20 0 EGADLP Oc1cc(F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428361 1376869954 /nfs/dbraw/zinc/86/99/54/1376869954.db2.gz PORHNILZPFTYEW-STQMWFEESA-N 2 2 326.843 3.396 20 0 EGADLP Oc1cc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428361 1376869957 /nfs/dbraw/zinc/86/99/57/1376869957.db2.gz PORHNILZPFTYEW-STQMWFEESA-N 2 2 326.843 3.396 20 0 EGADLP COc1ccc2cc(CC[C@H](C)[NH2+][C@@H](C)[C@@H]3C[NH2+]CCO3)ccc2c1 ZINC001246292610 1377051295 /nfs/dbraw/zinc/05/12/95/1377051295.db2.gz KQXAURHIYISLTQ-QYWGDWMGSA-N 2 2 342.483 3.136 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC1)O2 ZINC001254529488 1377107105 /nfs/dbraw/zinc/10/71/05/1377107105.db2.gz MLERRLMPCZLQAK-KRWDZBQOSA-N 2 2 342.483 3.279 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC1)O2 ZINC001254529488 1377107106 /nfs/dbraw/zinc/10/71/06/1377107106.db2.gz MLERRLMPCZLQAK-KRWDZBQOSA-N 2 2 342.483 3.279 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100792 1377113360 /nfs/dbraw/zinc/11/33/60/1377113360.db2.gz FCDUAHOHEYEBQH-ULQDDVLXSA-N 2 2 339.524 3.238 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100792 1377113364 /nfs/dbraw/zinc/11/33/64/1377113364.db2.gz FCDUAHOHEYEBQH-ULQDDVLXSA-N 2 2 339.524 3.238 20 0 EGADLP CCCC(CCC)[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001257337779 1377114171 /nfs/dbraw/zinc/11/41/71/1377114171.db2.gz NBYCQIROKYLEAX-IBGZPJMESA-N 2 2 326.525 3.016 20 0 EGADLP CCCC(CCC)[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001257337779 1377114172 /nfs/dbraw/zinc/11/41/72/1377114172.db2.gz NBYCQIROKYLEAX-IBGZPJMESA-N 2 2 326.525 3.016 20 0 EGADLP CCCC(CCC)[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001257337779 1377114173 /nfs/dbraw/zinc/11/41/73/1377114173.db2.gz NBYCQIROKYLEAX-IBGZPJMESA-N 2 2 326.525 3.016 20 0 EGADLP CCCC(CCC)[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001257337779 1377114174 /nfs/dbraw/zinc/11/41/74/1377114174.db2.gz NBYCQIROKYLEAX-IBGZPJMESA-N 2 2 326.525 3.016 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679924 1377182104 /nfs/dbraw/zinc/18/21/04/1377182104.db2.gz PNYDLYFENCMLBM-DLBZAZTESA-N 2 2 342.487 3.024 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001266526766 1377328079 /nfs/dbraw/zinc/32/80/79/1377328079.db2.gz ZNYPWABGEUZULJ-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001266526766 1377328081 /nfs/dbraw/zinc/32/80/81/1377328081.db2.gz ZNYPWABGEUZULJ-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001266614163 1377343530 /nfs/dbraw/zinc/34/35/30/1377343530.db2.gz UZFADQGMZAARJD-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001266614163 1377343533 /nfs/dbraw/zinc/34/35/33/1377343533.db2.gz UZFADQGMZAARJD-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001266614163 1377343535 /nfs/dbraw/zinc/34/35/35/1377343535.db2.gz UZFADQGMZAARJD-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001266614163 1377343537 /nfs/dbraw/zinc/34/35/37/1377343537.db2.gz UZFADQGMZAARJD-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@@H]3C2)cc1 ZINC001137044214 1377464721 /nfs/dbraw/zinc/46/47/21/1377464721.db2.gz RUKSXRQBZRIFLN-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@@H]3C2)cc1 ZINC001137044214 1377464729 /nfs/dbraw/zinc/46/47/29/1377464729.db2.gz RUKSXRQBZRIFLN-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncnc3)C[C@H]21 ZINC001137666211 1377585970 /nfs/dbraw/zinc/58/59/70/1377585970.db2.gz RZICFXTXVVUZKB-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncnc3)C[C@H]21 ZINC001137666211 1377585971 /nfs/dbraw/zinc/58/59/71/1377585971.db2.gz RZICFXTXVVUZKB-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncnc3)C[C@H]21 ZINC001137666211 1377585972 /nfs/dbraw/zinc/58/59/72/1377585972.db2.gz RZICFXTXVVUZKB-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncnc3)C[C@H]21 ZINC001137666211 1377585973 /nfs/dbraw/zinc/58/59/73/1377585973.db2.gz RZICFXTXVVUZKB-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137789167 1377616303 /nfs/dbraw/zinc/61/63/03/1377616303.db2.gz DJPAJNGWCSROHU-GOSISDBHSA-N 2 2 330.472 3.314 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137789167 1377616307 /nfs/dbraw/zinc/61/63/07/1377616307.db2.gz DJPAJNGWCSROHU-GOSISDBHSA-N 2 2 330.472 3.314 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(C)c1 ZINC001138436648 1377724355 /nfs/dbraw/zinc/72/43/55/1377724355.db2.gz NALPKBLUYRWKHC-UHFFFAOYSA-N 2 2 346.515 3.469 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@H]3C2)c1 ZINC001138744556 1377778633 /nfs/dbraw/zinc/77/86/33/1377778633.db2.gz NNFIFXXAFFAHRN-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@H]3C2)c1 ZINC001138744556 1377778634 /nfs/dbraw/zinc/77/86/34/1377778634.db2.gz NNFIFXXAFFAHRN-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cnc5[nH]ccc5c4)C[C@H]3C2)c1 ZINC001138744556 1377778635 /nfs/dbraw/zinc/77/86/35/1377778635.db2.gz NNFIFXXAFFAHRN-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnc5[nH]ccc5c4)C[C@H]3C2)c1 ZINC001138744556 1377778636 /nfs/dbraw/zinc/77/86/36/1377778636.db2.gz NNFIFXXAFFAHRN-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)Cc2ccccc21 ZINC001139318813 1377867784 /nfs/dbraw/zinc/86/77/84/1377867784.db2.gz IEHKLEICHVQLOH-HNNXBMFYSA-N 2 2 342.512 3.014 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)Cc2ccccc21 ZINC001139318813 1377867787 /nfs/dbraw/zinc/86/77/87/1377867787.db2.gz IEHKLEICHVQLOH-HNNXBMFYSA-N 2 2 342.512 3.014 20 0 EGADLP CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363427 1377874630 /nfs/dbraw/zinc/87/46/30/1377874630.db2.gz CLNHGYUXKBZMBB-KRWDZBQOSA-N 2 2 327.428 3.038 20 0 EGADLP CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363427 1377874631 /nfs/dbraw/zinc/87/46/31/1377874631.db2.gz CLNHGYUXKBZMBB-KRWDZBQOSA-N 2 2 327.428 3.038 20 0 EGADLP Cc1ccc(C(F)(F)F)cc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001139887652 1377972862 /nfs/dbraw/zinc/97/28/62/1377972862.db2.gz WPCGMOJUCVBWLB-UHFFFAOYSA-N 2 2 343.437 3.083 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001140021357 1377991234 /nfs/dbraw/zinc/99/12/34/1377991234.db2.gz KQVITBDTWNDORZ-UHFFFAOYSA-N 2 2 333.435 3.231 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2cc(CO)ccc2C1 ZINC001140021357 1377991235 /nfs/dbraw/zinc/99/12/35/1377991235.db2.gz KQVITBDTWNDORZ-UHFFFAOYSA-N 2 2 333.435 3.231 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2F)nc1 ZINC001140404501 1378057486 /nfs/dbraw/zinc/05/74/86/1378057486.db2.gz ZMTKGHWFYOIEAT-UHFFFAOYSA-N 2 2 330.451 3.446 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2ccccc2F)nc1 ZINC001140404501 1378057487 /nfs/dbraw/zinc/05/74/87/1378057487.db2.gz ZMTKGHWFYOIEAT-UHFFFAOYSA-N 2 2 330.451 3.446 20 0 EGADLP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC001140410394 1378059139 /nfs/dbraw/zinc/05/91/39/1378059139.db2.gz RSXYQIJEHSFIAA-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP COc1cc(F)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001140483513 1378070849 /nfs/dbraw/zinc/07/08/49/1378070849.db2.gz USYOTMIWUJAKCX-RTBURBONSA-N 2 2 340.442 3.398 20 0 EGADLP COC(=O)Cc1ccccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140655066 1378106423 /nfs/dbraw/zinc/10/64/23/1378106423.db2.gz VZCIEMAWHGGGBM-UHFFFAOYSA-N 2 2 344.499 3.241 20 0 EGADLP COC(=O)Cc1ccccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140655066 1378106426 /nfs/dbraw/zinc/10/64/26/1378106426.db2.gz VZCIEMAWHGGGBM-UHFFFAOYSA-N 2 2 344.499 3.241 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC001140803003 1378140953 /nfs/dbraw/zinc/14/09/53/1378140953.db2.gz IWIGVZLMKYVVHH-UHFFFAOYSA-N 2 2 349.463 3.495 20 0 EGADLP CC(C)(C)OC(=O)N1CC([N@H+](Cc2c[nH]c3cc[nH+]cc23)C2CC2)C1 ZINC001140804847 1378143161 /nfs/dbraw/zinc/14/31/61/1378143161.db2.gz HWYGHLKRUOIEHJ-UHFFFAOYSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1CC([N@@H+](Cc2c[nH]c3cc[nH+]cc23)C2CC2)C1 ZINC001140804847 1378143162 /nfs/dbraw/zinc/14/31/62/1378143162.db2.gz HWYGHLKRUOIEHJ-UHFFFAOYSA-N 2 2 342.443 3.147 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001140805571 1378144981 /nfs/dbraw/zinc/14/49/81/1378144981.db2.gz BFTWVHBKNNLTBS-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001140805571 1378144984 /nfs/dbraw/zinc/14/49/84/1378144984.db2.gz BFTWVHBKNNLTBS-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP CC[N@H+](Cc1ccc(OC2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC001141411186 1378320075 /nfs/dbraw/zinc/32/00/75/1378320075.db2.gz XMWYGPIBJSSWGT-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP CC[N@@H+](Cc1ccc(OC2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC001141411186 1378320081 /nfs/dbraw/zinc/32/00/81/1378320081.db2.gz XMWYGPIBJSSWGT-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498694 1378335118 /nfs/dbraw/zinc/33/51/18/1378335118.db2.gz BRMLVJMKNIJWRQ-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498694 1378335119 /nfs/dbraw/zinc/33/51/19/1378335119.db2.gz BRMLVJMKNIJWRQ-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498694 1378335120 /nfs/dbraw/zinc/33/51/20/1378335120.db2.gz BRMLVJMKNIJWRQ-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498694 1378335121 /nfs/dbraw/zinc/33/51/21/1378335121.db2.gz BRMLVJMKNIJWRQ-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP c1cn2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028234 1378528955 /nfs/dbraw/zinc/52/89/55/1378528955.db2.gz XYHCMQWYSNUEJX-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028234 1378528957 /nfs/dbraw/zinc/52/89/57/1378528957.db2.gz XYHCMQWYSNUEJX-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028234 1378528959 /nfs/dbraw/zinc/52/89/59/1378528959.db2.gz XYHCMQWYSNUEJX-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028234 1378528961 /nfs/dbraw/zinc/52/89/61/1378528961.db2.gz XYHCMQWYSNUEJX-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(Br)ccc(F)c1F)CC2 ZINC001143339264 1378582327 /nfs/dbraw/zinc/58/23/27/1378582327.db2.gz ZYVJNKOXDMDMRK-UHFFFAOYSA-N 2 2 345.231 3.255 20 0 EGADLP COCC[N@H+](Cc1cc(F)c(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143847696 1378652483 /nfs/dbraw/zinc/65/24/83/1378652483.db2.gz WMVBWSHGKYRBEH-UHFFFAOYSA-N 2 2 344.858 3.030 20 0 EGADLP COCC[N@@H+](Cc1cc(F)c(OC)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001143847696 1378652485 /nfs/dbraw/zinc/65/24/85/1378652485.db2.gz WMVBWSHGKYRBEH-UHFFFAOYSA-N 2 2 344.858 3.030 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Br)c3)C[C@@H]2C1 ZINC001144688258 1378760394 /nfs/dbraw/zinc/76/03/94/1378760394.db2.gz RUKYXJMFLISGII-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Br)c3)C[C@@H]2C1 ZINC001144688258 1378760397 /nfs/dbraw/zinc/76/03/97/1378760397.db2.gz RUKYXJMFLISGII-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3)C[C@@H]2C1 ZINC001144688258 1378760402 /nfs/dbraw/zinc/76/04/02/1378760402.db2.gz RUKYXJMFLISGII-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3)C[C@@H]2C1 ZINC001144688258 1378760407 /nfs/dbraw/zinc/76/04/07/1378760407.db2.gz RUKYXJMFLISGII-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712469 1378905449 /nfs/dbraw/zinc/90/54/49/1378905449.db2.gz BTTMFUYYIBKBHF-ZWKOTPCHSA-N 2 2 346.519 3.427 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C(F)(F)F)n1 ZINC001146987601 1378952386 /nfs/dbraw/zinc/95/23/86/1378952386.db2.gz ZOQFCNDNXRCBSD-UHFFFAOYSA-N 2 2 347.300 3.242 20 0 EGADLP C[N@@H+]1CCC[C@H](NC(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151816373 1379787359 /nfs/dbraw/zinc/78/73/59/1379787359.db2.gz PDTLRFFACHAVLS-IBGZPJMESA-N 2 2 349.478 3.026 20 0 EGADLP C[N@H+]1CCC[C@H](NC(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151816373 1379787367 /nfs/dbraw/zinc/78/73/67/1379787367.db2.gz PDTLRFFACHAVLS-IBGZPJMESA-N 2 2 349.478 3.026 20 0 EGADLP C[NH+]1CCC[C@H](NC(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)C1 ZINC001151816373 1379787371 /nfs/dbraw/zinc/78/73/71/1379787371.db2.gz PDTLRFFACHAVLS-IBGZPJMESA-N 2 2 349.478 3.026 20 0 EGADLP C[NH+]1CCC[C@H](NC(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C1 ZINC001151816373 1379787374 /nfs/dbraw/zinc/78/73/74/1379787374.db2.gz PDTLRFFACHAVLS-IBGZPJMESA-N 2 2 349.478 3.026 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760689 1380123371 /nfs/dbraw/zinc/12/33/71/1380123371.db2.gz WNKLZSZBICMWJU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760689 1380123372 /nfs/dbraw/zinc/12/33/72/1380123372.db2.gz WNKLZSZBICMWJU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760689 1380123373 /nfs/dbraw/zinc/12/33/73/1380123373.db2.gz WNKLZSZBICMWJU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760689 1380123374 /nfs/dbraw/zinc/12/33/74/1380123374.db2.gz WNKLZSZBICMWJU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930104 1380157176 /nfs/dbraw/zinc/15/71/76/1380157176.db2.gz GWPZQYDPNHZUDY-UWUBPMADSA-N 2 2 340.899 3.049 20 0 EGADLP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930104 1380157178 /nfs/dbraw/zinc/15/71/78/1380157178.db2.gz GWPZQYDPNHZUDY-UWUBPMADSA-N 2 2 340.899 3.049 20 0 EGADLP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315362 1380254668 /nfs/dbraw/zinc/25/46/68/1380254668.db2.gz WVAKVVUCKKLUOZ-DLBZAZTESA-N 2 2 344.503 3.457 20 0 EGADLP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315362 1380254673 /nfs/dbraw/zinc/25/46/73/1380254673.db2.gz WVAKVVUCKKLUOZ-DLBZAZTESA-N 2 2 344.503 3.457 20 0 EGADLP COc1ccc2ccc(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)[nH+]c2c1 ZINC001155383009 1380444075 /nfs/dbraw/zinc/44/40/75/1380444075.db2.gz KIIINEVRGCCWDF-QGZVFWFLSA-N 2 2 341.455 3.204 20 0 EGADLP CCOC(=O)c1c(C)cc(N2CCC3(CC2)CC[NH+](C)CC3)[nH+]c1C ZINC001156576662 1380595824 /nfs/dbraw/zinc/59/58/24/1380595824.db2.gz TWLZEZGNROCHPN-UHFFFAOYSA-N 2 2 345.487 3.187 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296262 1381188508 /nfs/dbraw/zinc/18/85/08/1381188508.db2.gz IHSYWKYNPJKNHT-RTBURBONSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296262 1381188514 /nfs/dbraw/zinc/18/85/14/1381188514.db2.gz IHSYWKYNPJKNHT-RTBURBONSA-N 2 2 348.535 3.268 20 0 EGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc2c1CC[NH2+]C2 ZINC001159417412 1381790577 /nfs/dbraw/zinc/79/05/77/1381790577.db2.gz ZYJJEBAVQYWZDG-UHFFFAOYSA-N 2 2 349.438 3.228 20 0 EGADLP Cc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc(C2CC2)[nH+]1 ZINC001159546719 1381824470 /nfs/dbraw/zinc/82/44/70/1381824470.db2.gz YQKKXDLCTBTQBT-UHFFFAOYSA-N 2 2 326.488 3.396 20 0 EGADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc[nH+]c(N4CCCCC4)n3)c2C1 ZINC001159947266 1381946241 /nfs/dbraw/zinc/94/62/41/1381946241.db2.gz BYVNNSJXTFQRFE-OAHLLOKOSA-N 2 2 347.466 3.227 20 0 EGADLP [NH3+][C@H]1CCCN(c2ccccc2Nc2ccc[nH+]c2N2CCCC2)C1 ZINC001159978310 1381957081 /nfs/dbraw/zinc/95/70/81/1381957081.db2.gz NRFINSRWZXHMPE-INIZCTEOSA-N 2 2 337.471 3.353 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330750 1382075466 /nfs/dbraw/zinc/07/54/66/1382075466.db2.gz KFSWCSVIKAYJLA-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330750 1382075472 /nfs/dbraw/zinc/07/54/72/1382075472.db2.gz KFSWCSVIKAYJLA-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330750 1382075478 /nfs/dbraw/zinc/07/54/78/1382075478.db2.gz KFSWCSVIKAYJLA-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330750 1382075481 /nfs/dbraw/zinc/07/54/81/1382075481.db2.gz KFSWCSVIKAYJLA-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(F)cc1 ZINC001160990310 1382263313 /nfs/dbraw/zinc/26/33/13/1382263313.db2.gz IFFKUCJODHMYSW-CYBMUJFWSA-N 2 2 340.402 3.173 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356633 1382382249 /nfs/dbraw/zinc/38/22/49/1382382249.db2.gz XQSRFBOATJPQJX-QGZVFWFLSA-N 2 2 346.519 3.409 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356633 1382382252 /nfs/dbraw/zinc/38/22/52/1382382252.db2.gz XQSRFBOATJPQJX-QGZVFWFLSA-N 2 2 346.519 3.409 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356668 1382382267 /nfs/dbraw/zinc/38/22/67/1382382267.db2.gz ZDIBUMVXDGMCBT-GOSISDBHSA-N 2 2 346.519 3.409 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356668 1382382268 /nfs/dbraw/zinc/38/22/68/1382382268.db2.gz ZDIBUMVXDGMCBT-GOSISDBHSA-N 2 2 346.519 3.409 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651166 1388797681 /nfs/dbraw/zinc/79/76/81/1388797681.db2.gz QVISJEBDTMYVPE-WMZOPIPTSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651166 1388797682 /nfs/dbraw/zinc/79/76/82/1388797682.db2.gz QVISJEBDTMYVPE-WMZOPIPTSA-N 2 2 348.535 3.385 20 0 EGADLP O=C(NCCC[NH2+]CC1CCCCCC1)c1cccc2[nH+]ccn21 ZINC001162427519 1382756215 /nfs/dbraw/zinc/75/62/15/1382756215.db2.gz KDXQLALVIXNOCI-UHFFFAOYSA-N 2 2 328.460 3.014 20 0 EGADLP COc1cc2cc[nH+]c(NCC[C@@H]3CC[NH2+]CC3(F)F)c2cc1F ZINC001162814102 1382882782 /nfs/dbraw/zinc/88/27/82/1382882782.db2.gz IYSKEIBHWKTURR-LBPRGKRZSA-N 2 2 339.361 3.429 20 0 EGADLP CC(C)COc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc[nH+]1 ZINC001162966915 1382930334 /nfs/dbraw/zinc/93/03/34/1382930334.db2.gz LEEWHASIWJSEDH-QGZVFWFLSA-N 2 2 333.476 3.077 20 0 EGADLP Cc1cc(N[C@H]2COCCC23C[NH2+]C3)[nH+]c2c1cccc2C(C)C ZINC001163073102 1382960585 /nfs/dbraw/zinc/96/05/85/1382960585.db2.gz INUISTFLGYYWCJ-KRWDZBQOSA-N 2 2 325.456 3.457 20 0 EGADLP Cc1ccc(N[C@H]2C[NH2+]Cc3ccsc32)c(C[NH+]2CCOCC2)c1 ZINC001163229197 1383000212 /nfs/dbraw/zinc/00/02/12/1383000212.db2.gz HAVQZXDQWRIEPO-SFHVURJKSA-N 2 2 343.496 3.145 20 0 EGADLP O=C(NCCC[NH2+]CC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163479097 1383060062 /nfs/dbraw/zinc/06/00/62/1383060062.db2.gz JYIBUFNYGBRJGR-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP COc1cc2[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)ccc2c(OC)c1 ZINC001165248106 1383257526 /nfs/dbraw/zinc/25/75/26/1383257526.db2.gz FBBGIPHAYHHEIT-UHFFFAOYSA-N 2 2 341.455 3.365 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc3ccc(Cl)cc3nc1Cl)CC[NH2+]CC2 ZINC001165353510 1383280227 /nfs/dbraw/zinc/28/02/27/1383280227.db2.gz PZSJRPWHKGJMAU-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(C(C)C)nc(C(C)(C)C)n1)CC[NH2+]CC2 ZINC001165357434 1383281809 /nfs/dbraw/zinc/28/18/09/1383281809.db2.gz YZBSEPOPTHFTGW-UHFFFAOYSA-N 2 2 327.476 3.080 20 0 EGADLP CC[C@@H](F)C[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166295206 1383409738 /nfs/dbraw/zinc/40/97/38/1383409738.db2.gz SAHGWYRDAXCHJW-MRXNPFEDSA-N 2 2 335.467 3.245 20 0 EGADLP COc1cc2ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)[nH+]c2cc1OC ZINC001166903188 1383496882 /nfs/dbraw/zinc/49/68/82/1383496882.db2.gz PENRRSZEJIXXSC-MRXNPFEDSA-N 2 2 341.455 3.220 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001167839657 1383756105 /nfs/dbraw/zinc/75/61/05/1383756105.db2.gz BADQWWCRLSEEKW-MRXNPFEDSA-N 2 2 334.508 3.061 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001167839657 1383756107 /nfs/dbraw/zinc/75/61/07/1383756107.db2.gz BADQWWCRLSEEKW-MRXNPFEDSA-N 2 2 334.508 3.061 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976339 1383784243 /nfs/dbraw/zinc/78/42/43/1383784243.db2.gz AXDVRBCTYXBVTI-MRXNPFEDSA-N 2 2 334.508 3.045 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCC1CCCCCC1 ZINC001167976339 1383784246 /nfs/dbraw/zinc/78/42/46/1383784246.db2.gz AXDVRBCTYXBVTI-MRXNPFEDSA-N 2 2 334.508 3.045 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001167979510 1383785034 /nfs/dbraw/zinc/78/50/34/1383785034.db2.gz SRXFHVXQULLTNL-SJORKVTESA-N 2 2 342.487 3.062 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001167979510 1383785040 /nfs/dbraw/zinc/78/50/40/1383785040.db2.gz SRXFHVXQULLTNL-SJORKVTESA-N 2 2 342.487 3.062 20 0 EGADLP Cc1cc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC001168018537 1383797758 /nfs/dbraw/zinc/79/77/58/1383797758.db2.gz ZRADPMUOGUTNFQ-IAGOWNOFSA-N 2 2 326.488 3.260 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001168192093 1383840040 /nfs/dbraw/zinc/84/00/40/1383840040.db2.gz MVYVDJVSPUQMDS-HNNXBMFYSA-N 2 2 345.874 3.497 20 0 EGADLP Fc1ccc2c(c1)CC[C@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)C2 ZINC001168448974 1383909696 /nfs/dbraw/zinc/90/96/96/1383909696.db2.gz SABWIQAAUXMUEA-SFHVURJKSA-N 2 2 343.421 3.476 20 0 EGADLP CC[C@H](CSC)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001168564219 1383937415 /nfs/dbraw/zinc/93/74/15/1383937415.db2.gz SGHHAPNBXAYTAO-GOSISDBHSA-N 2 2 335.561 3.272 20 0 EGADLP CC[C@H](CSC)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001168564219 1383937416 /nfs/dbraw/zinc/93/74/16/1383937416.db2.gz SGHHAPNBXAYTAO-GOSISDBHSA-N 2 2 335.561 3.272 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608844 1383947760 /nfs/dbraw/zinc/94/77/60/1383947760.db2.gz FIRYVEDGKDTNMS-FUHIMQAGSA-N 2 2 330.472 3.132 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608844 1383947764 /nfs/dbraw/zinc/94/77/64/1383947764.db2.gz FIRYVEDGKDTNMS-FUHIMQAGSA-N 2 2 330.472 3.132 20 0 EGADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1Oc1ccccc1 ZINC001168746568 1383989899 /nfs/dbraw/zinc/98/98/99/1383989899.db2.gz XABDOMIVWYEBAL-UHFFFAOYSA-N 2 2 340.427 3.082 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3ccccc3-n3cccn3)c2)C1 ZINC001168975434 1384076611 /nfs/dbraw/zinc/07/66/11/1384076611.db2.gz YBAQQJUSBUYFIK-LJQANCHMSA-N 2 2 347.466 3.017 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3ccccc3-n3cccn3)c2)C1 ZINC001168975434 1384076614 /nfs/dbraw/zinc/07/66/14/1384076614.db2.gz YBAQQJUSBUYFIK-LJQANCHMSA-N 2 2 347.466 3.017 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001308188362 1384106886 /nfs/dbraw/zinc/10/68/86/1384106886.db2.gz HBCSJQACXGFYFH-UHFFFAOYSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001308188362 1384106887 /nfs/dbraw/zinc/10/68/87/1384106887.db2.gz HBCSJQACXGFYFH-UHFFFAOYSA-N 3 2 329.532 3.361 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169144769 1384114188 /nfs/dbraw/zinc/11/41/88/1384114188.db2.gz NKVDBKFZJRQRCX-BFUOFWGJSA-N 2 2 344.459 3.305 20 0 EGADLP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001308375025 1384122756 /nfs/dbraw/zinc/12/27/56/1384122756.db2.gz UCOGMXWMICPGOF-AZUAARDMSA-N 2 2 346.515 3.456 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)CC1 ZINC001169249168 1384127646 /nfs/dbraw/zinc/12/76/46/1384127646.db2.gz DCMSOWWEUXJNDU-KRWDZBQOSA-N 2 2 339.524 3.048 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)CC1 ZINC001169249168 1384127648 /nfs/dbraw/zinc/12/76/48/1384127648.db2.gz DCMSOWWEUXJNDU-KRWDZBQOSA-N 2 2 339.524 3.048 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc3nonc3c2)CCC1 ZINC001308775705 1384149415 /nfs/dbraw/zinc/14/94/15/1384149415.db2.gz RVDHMUQYFSPERY-UHFFFAOYSA-N 2 2 336.439 3.367 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2ccc3nonc3c2)CCC1 ZINC001308775705 1384149417 /nfs/dbraw/zinc/14/94/17/1384149417.db2.gz RVDHMUQYFSPERY-UHFFFAOYSA-N 2 2 336.439 3.367 20 0 EGADLP O=C(NCCC[NH2+]CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022985 1384219792 /nfs/dbraw/zinc/21/97/92/1384219792.db2.gz MCVJSKXCOXJYOJ-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP CC(C)CCC[C@H](C)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001170087532 1384234064 /nfs/dbraw/zinc/23/40/64/1384234064.db2.gz HURNUGBPJVEWOC-SFHVURJKSA-N 2 2 345.535 3.414 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001170472248 1384325982 /nfs/dbraw/zinc/32/59/82/1384325982.db2.gz MMSDPIINHNCHSO-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccc(C)c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)[nH+]1 ZINC001170715234 1384372579 /nfs/dbraw/zinc/37/25/79/1384372579.db2.gz QYQPFOBLPNEVCU-MXVIHJGJSA-N 2 2 342.531 3.449 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739161 1384375741 /nfs/dbraw/zinc/37/57/41/1384375741.db2.gz PDLQCZWXGXOYNE-USYVTKNRSA-N 2 2 328.500 3.300 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739161 1384375743 /nfs/dbraw/zinc/37/57/43/1384375743.db2.gz PDLQCZWXGXOYNE-USYVTKNRSA-N 2 2 328.500 3.300 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[C@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752065 1384378705 /nfs/dbraw/zinc/37/87/05/1384378705.db2.gz UDBMTMTVYNPPOS-MTSZKFMLSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[C@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752065 1384378707 /nfs/dbraw/zinc/37/87/07/1384378707.db2.gz UDBMTMTVYNPPOS-MTSZKFMLSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@H]4[C@H](CC[N@@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752065 1384378710 /nfs/dbraw/zinc/37/87/10/1384378710.db2.gz UDBMTMTVYNPPOS-MTSZKFMLSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@H]4[C@H](CC[N@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752065 1384378713 /nfs/dbraw/zinc/37/87/13/1384378713.db2.gz UDBMTMTVYNPPOS-MTSZKFMLSA-N 2 2 331.529 3.474 20 0 EGADLP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170787046 1384385328 /nfs/dbraw/zinc/38/53/28/1384385328.db2.gz VURLJBFOFGUGFI-PBHICJAKSA-N 2 2 348.466 3.269 20 0 EGADLP [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc(Cn4cc[nH+]c4)cn3)c2C1 ZINC001171098288 1384445679 /nfs/dbraw/zinc/44/56/79/1384445679.db2.gz ZQQQFBYCANPCSE-INIZCTEOSA-N 2 2 343.434 3.086 20 0 EGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001171302596 1384489984 /nfs/dbraw/zinc/48/99/84/1384489984.db2.gz WGGRFCYHPNWSHK-GJZGRUSLSA-N 2 2 334.891 3.280 20 0 EGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001171302596 1384489986 /nfs/dbraw/zinc/48/99/86/1384489986.db2.gz WGGRFCYHPNWSHK-GJZGRUSLSA-N 2 2 334.891 3.280 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603925 1384577235 /nfs/dbraw/zinc/57/72/35/1384577235.db2.gz DVUBHKDDGMETJX-WMZOPIPTSA-N 2 2 348.535 3.146 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605004 1384577385 /nfs/dbraw/zinc/57/73/85/1384577385.db2.gz LRYADWGEHOGYLT-JDTHPWDHSA-N 2 2 346.519 3.066 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)c2cc(F)cc(F)c2)CC1(C)C ZINC001171627633 1384585274 /nfs/dbraw/zinc/58/52/74/1384585274.db2.gz YVLOVZDYLPGROV-INIZCTEOSA-N 2 2 326.431 3.239 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1ccc(Br)cc1 ZINC001171780338 1384633772 /nfs/dbraw/zinc/63/37/72/1384633772.db2.gz HSELXHXOYXZKSC-PBHICJAKSA-N 2 2 349.247 3.345 20 0 EGADLP CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860403 1384664061 /nfs/dbraw/zinc/66/40/61/1384664061.db2.gz PGYFBZJFXPUOAT-MRXNPFEDSA-N 2 2 349.519 3.312 20 0 EGADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001171884801 1384671790 /nfs/dbraw/zinc/67/17/90/1384671790.db2.gz BERYCKBBYITAOA-LJQANCHMSA-N 2 2 348.450 3.119 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896253 1384673396 /nfs/dbraw/zinc/67/33/96/1384673396.db2.gz KUDVONXFVRURGF-KRWDZBQOSA-N 2 2 336.524 3.054 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC001171966240 1384697215 /nfs/dbraw/zinc/69/72/15/1384697215.db2.gz UIMWCYDZCMRMHD-IBGZPJMESA-N 3 2 326.488 3.306 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC001171966240 1384697223 /nfs/dbraw/zinc/69/72/23/1384697223.db2.gz UIMWCYDZCMRMHD-IBGZPJMESA-N 3 2 326.488 3.306 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702188 /nfs/dbraw/zinc/70/21/88/1384702188.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702191 /nfs/dbraw/zinc/70/21/91/1384702191.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702193 /nfs/dbraw/zinc/70/21/93/1384702193.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977918 1384702197 /nfs/dbraw/zinc/70/21/97/1384702197.db2.gz UWUCDDYLCXRHOF-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP CO[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068459 1384718886 /nfs/dbraw/zinc/71/88/86/1384718886.db2.gz IMBJDACBVBXZEG-MFKWGIFDSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068459 1384718889 /nfs/dbraw/zinc/71/88/89/1384718889.db2.gz IMBJDACBVBXZEG-MFKWGIFDSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068459 1384718892 /nfs/dbraw/zinc/71/88/92/1384718892.db2.gz IMBJDACBVBXZEG-MFKWGIFDSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068459 1384718894 /nfs/dbraw/zinc/71/88/94/1384718894.db2.gz IMBJDACBVBXZEG-MFKWGIFDSA-N 2 2 332.463 3.241 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172084120 1384722364 /nfs/dbraw/zinc/72/23/64/1384722364.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 2 339.527 3.210 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172084120 1384722367 /nfs/dbraw/zinc/72/23/67/1384722367.db2.gz USGKNAPDJQGCKW-WKCHPHFGSA-N 2 2 339.527 3.210 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102221 1384727611 /nfs/dbraw/zinc/72/76/11/1384727611.db2.gz LAGLPUKAQUHZJA-NCYKPQTJSA-N 3 2 327.516 3.113 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102221 1384727614 /nfs/dbraw/zinc/72/76/14/1384727614.db2.gz LAGLPUKAQUHZJA-NCYKPQTJSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102221 1384727618 /nfs/dbraw/zinc/72/76/18/1384727618.db2.gz LAGLPUKAQUHZJA-NCYKPQTJSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230737 1384752925 /nfs/dbraw/zinc/75/29/25/1384752925.db2.gz CJFVLDYQOYAPIP-IHWFROFDSA-N 2 2 332.463 3.432 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230737 1384752927 /nfs/dbraw/zinc/75/29/27/1384752927.db2.gz CJFVLDYQOYAPIP-IHWFROFDSA-N 2 2 332.463 3.432 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339132 1384773294 /nfs/dbraw/zinc/77/32/94/1384773294.db2.gz PCSJDKATMQHAOR-DLBZAZTESA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339132 1384773297 /nfs/dbraw/zinc/77/32/97/1384773297.db2.gz PCSJDKATMQHAOR-DLBZAZTESA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001172339132 1384773299 /nfs/dbraw/zinc/77/32/99/1384773299.db2.gz PCSJDKATMQHAOR-DLBZAZTESA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001172339132 1384773301 /nfs/dbraw/zinc/77/33/01/1384773301.db2.gz PCSJDKATMQHAOR-DLBZAZTESA-N 2 2 336.524 3.133 20 0 EGADLP CCCCCC[C@@H](CCC)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001172388414 1384782748 /nfs/dbraw/zinc/78/27/48/1384782748.db2.gz YBDGRYBGGNOFTH-HXUWFJFHSA-N 2 2 339.568 3.075 20 0 EGADLP CC(C)OCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172446603 1384792946 /nfs/dbraw/zinc/79/29/46/1384792946.db2.gz MBZJLZNTWKUKFO-MRXNPFEDSA-N 2 2 336.524 3.087 20 0 EGADLP CC(C)OCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172446603 1384792948 /nfs/dbraw/zinc/79/29/48/1384792948.db2.gz MBZJLZNTWKUKFO-MRXNPFEDSA-N 2 2 336.524 3.087 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722680 1384837510 /nfs/dbraw/zinc/83/75/10/1384837510.db2.gz ZMROAJDINBWIHG-PMACEKPBSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722680 1384837516 /nfs/dbraw/zinc/83/75/16/1384837516.db2.gz ZMROAJDINBWIHG-PMACEKPBSA-N 2 2 348.918 3.382 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001172776683 1384849526 /nfs/dbraw/zinc/84/95/26/1384849526.db2.gz MEVPZFXJOJYNBR-MSOLQXFVSA-N 2 2 345.487 3.010 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829146 1384860222 /nfs/dbraw/zinc/86/02/22/1384860222.db2.gz ATJOUIBVXDSCGU-XPWALMASSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829146 1384860227 /nfs/dbraw/zinc/86/02/27/1384860227.db2.gz ATJOUIBVXDSCGU-XPWALMASSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829146 1384860231 /nfs/dbraw/zinc/86/02/31/1384860231.db2.gz ATJOUIBVXDSCGU-XPWALMASSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829146 1384860236 /nfs/dbraw/zinc/86/02/36/1384860236.db2.gz ATJOUIBVXDSCGU-XPWALMASSA-N 2 2 347.506 3.311 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001172949265 1384887427 /nfs/dbraw/zinc/88/74/27/1384887427.db2.gz IVHKNXYQTRGXLW-IAGOWNOFSA-N 2 2 341.540 3.342 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172960882 1384890339 /nfs/dbraw/zinc/89/03/39/1384890339.db2.gz YKBNIAKBFGRRGZ-CVEARBPZSA-N 2 2 341.540 3.342 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172960882 1384890341 /nfs/dbraw/zinc/89/03/41/1384890341.db2.gz YKBNIAKBFGRRGZ-CVEARBPZSA-N 2 2 341.540 3.342 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173676213 1385002053 /nfs/dbraw/zinc/00/20/53/1385002053.db2.gz MBOYEYQNZCWQNW-OAGGEKHMSA-N 2 2 339.524 3.235 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173676213 1385002055 /nfs/dbraw/zinc/00/20/55/1385002055.db2.gz MBOYEYQNZCWQNW-OAGGEKHMSA-N 2 2 339.524 3.235 20 0 EGADLP c1ccc2c(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc[nH+]c2c1 ZINC001174038524 1385048092 /nfs/dbraw/zinc/04/80/92/1385048092.db2.gz OSQKBUFTBGSRKE-UHFFFAOYSA-N 2 2 349.434 3.111 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3[nH+]cccc3N3CCCC3)cc2)CC1 ZINC001174813461 1385153271 /nfs/dbraw/zinc/15/32/71/1385153271.db2.gz LCCPUFNXDIHEGY-UHFFFAOYSA-N 2 2 337.471 3.177 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175209793 1385221248 /nfs/dbraw/zinc/22/12/48/1385221248.db2.gz LWHKDULAZYWTNT-CVEARBPZSA-N 2 2 332.492 3.060 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175477763 1385304691 /nfs/dbraw/zinc/30/46/91/1385304691.db2.gz HCOATMHPNCKTAC-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175639300 1385359717 /nfs/dbraw/zinc/35/97/17/1385359717.db2.gz XYJJVFRJCVDKAL-HZPDHXFCSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175639300 1385359721 /nfs/dbraw/zinc/35/97/21/1385359721.db2.gz XYJJVFRJCVDKAL-HZPDHXFCSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175881131 1385428460 /nfs/dbraw/zinc/42/84/60/1385428460.db2.gz KDWCYWAEFSIKMY-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP C[NH+](C)CCCOc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cn1 ZINC001176352786 1385560904 /nfs/dbraw/zinc/56/09/04/1385560904.db2.gz QDVHAUXRERTGRC-UHFFFAOYSA-N 2 2 345.834 3.457 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176391436 1385574248 /nfs/dbraw/zinc/57/42/48/1385574248.db2.gz DKETZBAJCQTQNP-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1ccc2c(Nc3ccc(N4CC[NH+](C)CC4)nc3)cccc2[nH+]1 ZINC001176660276 1385649606 /nfs/dbraw/zinc/64/96/06/1385649606.db2.gz OMRGCVFMLBYVBO-UHFFFAOYSA-N 2 2 333.439 3.434 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176811049 1385710147 /nfs/dbraw/zinc/71/01/47/1385710147.db2.gz VYBRIRNZCNQFDR-GOSISDBHSA-N 2 2 336.524 3.364 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC(=O)c1cccs1 ZINC001318552479 1385752028 /nfs/dbraw/zinc/75/20/28/1385752028.db2.gz FXLJFPRYXWNXNU-UHFFFAOYSA-N 2 2 340.408 3.239 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001319219741 1386011077 /nfs/dbraw/zinc/01/10/77/1386011077.db2.gz VCWFYQILNVMYMH-LLVKDONJSA-N 2 2 339.430 3.008 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cn2)C1 ZINC001177743572 1386032064 /nfs/dbraw/zinc/03/20/64/1386032064.db2.gz NCGGFAIQTAUHNZ-ZDUSSCGKSA-N 2 2 326.282 3.054 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cn2)C1 ZINC001177743572 1386032069 /nfs/dbraw/zinc/03/20/69/1386032069.db2.gz NCGGFAIQTAUHNZ-ZDUSSCGKSA-N 2 2 326.282 3.054 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC001177804790 1386050882 /nfs/dbraw/zinc/05/08/82/1386050882.db2.gz RYDNJOIDGHMSRE-QGZVFWFLSA-N 2 2 338.879 3.082 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178536522 1386243519 /nfs/dbraw/zinc/24/35/19/1386243519.db2.gz ZCIJJEHBVIEQAE-KRWDZBQOSA-N 2 2 348.535 3.074 20 0 EGADLP COc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1Cl ZINC001319745498 1386278725 /nfs/dbraw/zinc/27/87/25/1386278725.db2.gz KZTANMXXHGWVPJ-UHFFFAOYSA-N 2 2 342.786 3.490 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NCCCCCC[NH2+]CCCC(C)C ZINC001178811397 1386314227 /nfs/dbraw/zinc/31/42/27/1386314227.db2.gz UJUSGEMRYHTORO-UHFFFAOYSA-N 2 2 349.519 3.335 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178866536 1386333824 /nfs/dbraw/zinc/33/38/24/1386333824.db2.gz XIBMTYSDKAHPES-GOSISDBHSA-N 2 2 348.535 3.292 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957226 1386360152 /nfs/dbraw/zinc/36/01/52/1386360152.db2.gz SNNASVLFOVITTG-OXPKLIQGSA-N 2 2 346.519 3.406 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC001320228363 1386560919 /nfs/dbraw/zinc/56/09/19/1386560919.db2.gz SBOBJOPVYUVVIS-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC001320228363 1386560921 /nfs/dbraw/zinc/56/09/21/1386560921.db2.gz SBOBJOPVYUVVIS-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179777186 1386581760 /nfs/dbraw/zinc/58/17/60/1386581760.db2.gz PSUOCNAFSMKLIO-LAQIPUCWSA-N 2 2 334.508 3.211 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179777186 1386581763 /nfs/dbraw/zinc/58/17/63/1386581763.db2.gz PSUOCNAFSMKLIO-LAQIPUCWSA-N 2 2 334.508 3.211 20 0 EGADLP CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001179840826 1386603387 /nfs/dbraw/zinc/60/33/87/1386603387.db2.gz LBSWKEYPVVNWNM-LPHOPBHVSA-N 2 2 340.471 3.255 20 0 EGADLP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180178564 1386722240 /nfs/dbraw/zinc/72/22/40/1386722240.db2.gz IYBKDHNGZKDGRM-AATRIKPKSA-N 2 2 348.535 3.365 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652707 1386950201 /nfs/dbraw/zinc/95/02/01/1386950201.db2.gz LLYCNJLLVKJZBF-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652707 1386950204 /nfs/dbraw/zinc/95/02/04/1386950204.db2.gz LLYCNJLLVKJZBF-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169588 1387086951 /nfs/dbraw/zinc/08/69/51/1387086951.db2.gz RKUGILBITUPKGE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169588 1387086954 /nfs/dbraw/zinc/08/69/54/1387086954.db2.gz RKUGILBITUPKGE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169588 1387086957 /nfs/dbraw/zinc/08/69/57/1387086957.db2.gz RKUGILBITUPKGE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169588 1387086967 /nfs/dbraw/zinc/08/69/67/1387086967.db2.gz RKUGILBITUPKGE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001182767451 1387221107 /nfs/dbraw/zinc/22/11/07/1387221107.db2.gz FWPUZEWPRUPIRA-FUHIMQAGSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001329504265 1389136272 /nfs/dbraw/zinc/13/62/72/1389136272.db2.gz ZMUWHVRDEBTFLR-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001329504265 1389136273 /nfs/dbraw/zinc/13/62/73/1389136273.db2.gz ZMUWHVRDEBTFLR-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001336782184 1389167973 /nfs/dbraw/zinc/16/79/73/1389167973.db2.gz YFLCRWPLRJZGTD-MSOLQXFVSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001336782184 1389167977 /nfs/dbraw/zinc/16/79/77/1389167977.db2.gz YFLCRWPLRJZGTD-MSOLQXFVSA-N 2 2 333.451 3.069 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001698729681 1406379888 /nfs/dbraw/zinc/37/98/88/1406379888.db2.gz HYWRCSXTXPMUNL-MOPGFXCFSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001698729681 1406379891 /nfs/dbraw/zinc/37/98/91/1406379891.db2.gz HYWRCSXTXPMUNL-MOPGFXCFSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001332874087 1390205878 /nfs/dbraw/zinc/20/58/78/1390205878.db2.gz JZJLSQPFYFVKJM-INIZCTEOSA-N 2 2 334.508 3.043 20 0 EGADLP CSc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)o1 ZINC001333589087 1390345770 /nfs/dbraw/zinc/34/57/70/1390345770.db2.gz XGYCKRWVYRYQIH-UHFFFAOYSA-N 2 2 345.512 3.039 20 0 EGADLP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n(C2CC2)c1 ZINC001344070886 1390753787 /nfs/dbraw/zinc/75/37/87/1390753787.db2.gz XPAISCGSUCTHRS-OAQYLSRUSA-N 2 2 339.483 3.204 20 0 EGADLP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n(C2CC2)c1 ZINC001344070886 1390753789 /nfs/dbraw/zinc/75/37/89/1390753789.db2.gz XPAISCGSUCTHRS-OAQYLSRUSA-N 2 2 339.483 3.204 20 0 EGADLP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001479311696 1392210586 /nfs/dbraw/zinc/21/05/86/1392210586.db2.gz ZNJOWZHLZGPXLJ-NUJGCVRESA-N 2 2 340.471 3.016 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]Cc2ccc(CF)cc2)c(C)[nH+]1 ZINC001480507510 1392773665 /nfs/dbraw/zinc/77/36/65/1392773665.db2.gz PCVXHUVRMWKJNP-HNNXBMFYSA-N 2 2 343.446 3.384 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001491118930 1394437353 /nfs/dbraw/zinc/43/73/53/1394437353.db2.gz YVWOLYWGXJZGOW-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001491118930 1394437356 /nfs/dbraw/zinc/43/73/56/1394437356.db2.gz YVWOLYWGXJZGOW-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C[NH2+]C(C)C)CCCC[C@H]3C)ccn12 ZINC001481959516 1394620199 /nfs/dbraw/zinc/62/01/99/1394620199.db2.gz YKOKKHFMXLGEIW-FOIQADDNSA-N 2 2 342.487 3.319 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001484173773 1395318769 /nfs/dbraw/zinc/31/87/69/1395318769.db2.gz FRHFOGHAFDHGES-HXUWFJFHSA-N 2 2 348.535 3.007 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001484173773 1395318773 /nfs/dbraw/zinc/31/87/73/1395318773.db2.gz FRHFOGHAFDHGES-HXUWFJFHSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001698992637 1406784963 /nfs/dbraw/zinc/78/49/63/1406784963.db2.gz CGLYHOMFZPEMGY-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001698992637 1406784968 /nfs/dbraw/zinc/78/49/68/1406784968.db2.gz CGLYHOMFZPEMGY-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@@H](C[N@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393550 1396985838 /nfs/dbraw/zinc/98/58/38/1396985838.db2.gz WRPYAUZTGHBRTK-GTPINHCMSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393550 1396985841 /nfs/dbraw/zinc/98/58/41/1396985841.db2.gz WRPYAUZTGHBRTK-GTPINHCMSA-N 2 2 348.535 3.241 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690708427 1404694813 /nfs/dbraw/zinc/69/48/13/1404694813.db2.gz PZSKWRNXADKNRB-QGZVFWFLSA-N 2 2 342.487 3.131 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001691726473 1405450163 /nfs/dbraw/zinc/45/01/63/1405450163.db2.gz DZWUJPFCKJEDAJ-KDURUIRLSA-N 2 2 346.519 3.118 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001691856282 1405573658 /nfs/dbraw/zinc/57/36/58/1405573658.db2.gz GVDZQNRBWKOAFS-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001691856282 1405573661 /nfs/dbraw/zinc/57/36/61/1405573661.db2.gz GVDZQNRBWKOAFS-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001732039985 1428267150 /nfs/dbraw/zinc/26/71/50/1428267150.db2.gz AJMYGEQLGGXVCJ-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001732039985 1428267152 /nfs/dbraw/zinc/26/71/52/1428267152.db2.gz AJMYGEQLGGXVCJ-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CCC(F)(F)F ZINC001732213075 1428461477 /nfs/dbraw/zinc/46/14/77/1428461477.db2.gz XUDWOWRHTPAJIK-ZDUSSCGKSA-N 2 2 331.382 3.057 20 0 EGADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001732222407 1428471270 /nfs/dbraw/zinc/47/12/70/1428471270.db2.gz JQBMOOPJZLBBDE-MAUKXSAKSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001732357182 1428546750 /nfs/dbraw/zinc/54/67/50/1428546750.db2.gz YKBREJRLUALPJB-HUUCEWRRSA-N 2 2 348.878 3.030 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465464 1412829898 /nfs/dbraw/zinc/82/98/98/1412829898.db2.gz ZFXGLSGNXUBHNB-CVEARBPZSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465464 1412829902 /nfs/dbraw/zinc/82/99/02/1412829902.db2.gz ZFXGLSGNXUBHNB-CVEARBPZSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001699769820 1413175520 /nfs/dbraw/zinc/17/55/20/1413175520.db2.gz KHPSYDHBZBCFPA-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001700194269 1413629913 /nfs/dbraw/zinc/62/99/13/1413629913.db2.gz RSGTUPNSCYDETO-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001700194269 1413629917 /nfs/dbraw/zinc/62/99/17/1413629917.db2.gz RSGTUPNSCYDETO-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP CC1(C)C[N@H+](CCC2CCCC2)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001700290132 1413740275 /nfs/dbraw/zinc/74/02/75/1413740275.db2.gz HQYDTMIFKCCOBR-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[N@@H+](CCC2CCCC2)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001700290132 1413740279 /nfs/dbraw/zinc/74/02/79/1413740279.db2.gz HQYDTMIFKCCOBR-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713276615 1417896522 /nfs/dbraw/zinc/89/65/22/1417896522.db2.gz XVCGLCKDZKRPBS-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713276615 1417896525 /nfs/dbraw/zinc/89/65/25/1417896525.db2.gz XVCGLCKDZKRPBS-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001713289675 1417917244 /nfs/dbraw/zinc/91/72/44/1417917244.db2.gz PNXMCGXQVGIJFE-WWDZGPRUSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001713320514 1417944910 /nfs/dbraw/zinc/94/49/10/1417944910.db2.gz VWSYQVKVYQGXSC-OAHLLOKOSA-N 2 2 336.439 3.088 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC(C)(C)CC1 ZINC001713323575 1417948459 /nfs/dbraw/zinc/94/84/59/1417948459.db2.gz MIYMKQNLMDCRTL-HNNXBMFYSA-N 2 2 342.487 3.259 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001713383273 1417993755 /nfs/dbraw/zinc/99/37/55/1417993755.db2.gz XUMPNKSINNQDKH-RBUKOAKNSA-N 2 2 346.519 3.261 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001713518338 1418256899 /nfs/dbraw/zinc/25/68/99/1418256899.db2.gz HEGLHAZUOMFVOK-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+]1CC1CCC(C)(C)CC1 ZINC001713518338 1418256901 /nfs/dbraw/zinc/25/69/01/1418256901.db2.gz HEGLHAZUOMFVOK-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@H](C(=O)NC1C[NH+]([C@H](C)c2ccc3ccccc3c2)C1)[NH+](C)C ZINC001713826937 1418626690 /nfs/dbraw/zinc/62/66/90/1418626690.db2.gz KLRSDAOOIRXHEV-FOIQADDNSA-N 2 2 339.483 3.041 20 0 EGADLP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001714641303 1419413579 /nfs/dbraw/zinc/41/35/79/1419413579.db2.gz VEWNYGUASBASKD-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001714641303 1419413582 /nfs/dbraw/zinc/41/35/82/1419413582.db2.gz VEWNYGUASBASKD-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CC2CCCCCC2)CCCC1 ZINC001715302842 1420011201 /nfs/dbraw/zinc/01/12/01/1420011201.db2.gz DIQKHSYHKXFHTF-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CC2CCCCCC2)CCCC1 ZINC001715302842 1420011205 /nfs/dbraw/zinc/01/12/05/1420011205.db2.gz DIQKHSYHKXFHTF-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030967 1420489358 /nfs/dbraw/zinc/48/93/58/1420489358.db2.gz YWHICCNHULDBJJ-LSDHHAIUSA-N 2 2 336.439 3.374 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030967 1420489359 /nfs/dbraw/zinc/48/93/59/1420489359.db2.gz YWHICCNHULDBJJ-LSDHHAIUSA-N 2 2 336.439 3.374 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001716400832 1420635265 /nfs/dbraw/zinc/63/52/65/1420635265.db2.gz QRTYQLFQUYNLMZ-OAHLLOKOSA-N 2 2 336.439 3.088 20 0 EGADLP O=C(N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001716819002 1420944987 /nfs/dbraw/zinc/94/49/87/1420944987.db2.gz ORTSLYSDYMBNSI-IBGZPJMESA-N 2 2 340.471 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001716901826 1421034408 /nfs/dbraw/zinc/03/44/08/1421034408.db2.gz QHLWZOQXNINXFX-UZLBHIALSA-N 2 2 348.535 3.161 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001716901826 1421034410 /nfs/dbraw/zinc/03/44/10/1421034410.db2.gz QHLWZOQXNINXFX-UZLBHIALSA-N 2 2 348.535 3.161 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377501 1421320222 /nfs/dbraw/zinc/32/02/22/1421320222.db2.gz LCRAHWDCWVPUJS-RBUKOAKNSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377501 1421320224 /nfs/dbraw/zinc/32/02/24/1421320224.db2.gz LCRAHWDCWVPUJS-RBUKOAKNSA-N 2 2 346.519 3.024 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001733355080 1429535414 /nfs/dbraw/zinc/53/54/14/1429535414.db2.gz USKJNLOSBVCJQU-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC1(NC(=O)Cc2c[nH]c[nH+]2)CC[NH+](CCC2CCCCCC2)CC1 ZINC001733361183 1429545314 /nfs/dbraw/zinc/54/53/14/1429545314.db2.gz OMAIOPZLDAKSHL-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325034 1424813184 /nfs/dbraw/zinc/81/31/84/1424813184.db2.gz UDCWXVZRARQTMJ-PXNSSMCTSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325034 1424813191 /nfs/dbraw/zinc/81/31/91/1424813191.db2.gz UDCWXVZRARQTMJ-PXNSSMCTSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325034 1424813194 /nfs/dbraw/zinc/81/31/94/1424813194.db2.gz UDCWXVZRARQTMJ-PXNSSMCTSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325034 1424813199 /nfs/dbraw/zinc/81/31/99/1424813199.db2.gz UDCWXVZRARQTMJ-PXNSSMCTSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325037 1424813405 /nfs/dbraw/zinc/81/34/05/1424813405.db2.gz UDCWXVZRARQTMJ-YLJYHZDGSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325037 1424813409 /nfs/dbraw/zinc/81/34/09/1424813409.db2.gz UDCWXVZRARQTMJ-YLJYHZDGSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325037 1424813414 /nfs/dbraw/zinc/81/34/14/1424813414.db2.gz UDCWXVZRARQTMJ-YLJYHZDGSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325037 1424813420 /nfs/dbraw/zinc/81/34/20/1424813420.db2.gz UDCWXVZRARQTMJ-YLJYHZDGSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731556803 1427583676 /nfs/dbraw/zinc/58/36/76/1427583676.db2.gz CFDCUXPYWSFJBH-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731556803 1427583683 /nfs/dbraw/zinc/58/36/83/1427583683.db2.gz CFDCUXPYWSFJBH-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001733717854 1429937166 /nfs/dbraw/zinc/93/71/66/1429937166.db2.gz DGBHQVKBYXIRFF-OAHLLOKOSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734106595 1437892933 /nfs/dbraw/zinc/89/29/33/1437892933.db2.gz RAELZJSYFTWXFR-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734106595 1437892934 /nfs/dbraw/zinc/89/29/34/1437892934.db2.gz RAELZJSYFTWXFR-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001751988189 1440131071 /nfs/dbraw/zinc/13/10/71/1440131071.db2.gz LVJLQBNWZSAILB-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001751988189 1440131073 /nfs/dbraw/zinc/13/10/73/1440131073.db2.gz LVJLQBNWZSAILB-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001751988189 1440131074 /nfs/dbraw/zinc/13/10/74/1440131074.db2.gz LVJLQBNWZSAILB-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001751988189 1440131075 /nfs/dbraw/zinc/13/10/75/1440131075.db2.gz LVJLQBNWZSAILB-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP CCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CC2CCC2)CC1 ZINC001752440499 1440181251 /nfs/dbraw/zinc/18/12/51/1440181251.db2.gz YBRFDYOLZVISGO-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP CCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCC2)CC1 ZINC001752440499 1440181252 /nfs/dbraw/zinc/18/12/52/1440181252.db2.gz YBRFDYOLZVISGO-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001752938911 1440250624 /nfs/dbraw/zinc/25/06/24/1440250624.db2.gz MPLCUFQOILLTKE-KRWDZBQOSA-N 2 2 342.487 3.275 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752944733 1440251311 /nfs/dbraw/zinc/25/13/11/1440251311.db2.gz XWFYVLMQTPSRCO-APHBUQMISA-N 2 2 340.471 3.361 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993646 1440260838 /nfs/dbraw/zinc/26/08/38/1440260838.db2.gz KSJOLEQMKOYMQF-IPLHWJFFSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993646 1440260839 /nfs/dbraw/zinc/26/08/39/1440260839.db2.gz KSJOLEQMKOYMQF-IPLHWJFFSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H](CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036387 1440274929 /nfs/dbraw/zinc/27/49/29/1440274929.db2.gz XMMOGMPRSBLPGC-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036387 1440274930 /nfs/dbraw/zinc/27/49/30/1440274930.db2.gz XMMOGMPRSBLPGC-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753057026 1440281915 /nfs/dbraw/zinc/28/19/15/1440281915.db2.gz LTTICUNCPPUZSX-MRXNPFEDSA-N 2 2 336.439 3.066 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753057026 1440281916 /nfs/dbraw/zinc/28/19/16/1440281916.db2.gz LTTICUNCPPUZSX-MRXNPFEDSA-N 2 2 336.439 3.066 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001753535122 1440432205 /nfs/dbraw/zinc/43/22/05/1440432205.db2.gz CYOJBBVVTPFTDB-FOIQADDNSA-N 2 2 348.535 3.352 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001753703341 1440468954 /nfs/dbraw/zinc/46/89/54/1440468954.db2.gz CZXQHRLPAJNZNT-HNNXBMFYSA-N 2 2 331.504 3.493 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001753704032 1440469177 /nfs/dbraw/zinc/46/91/77/1440469177.db2.gz SUCYEGPXFGPVSJ-OAHLLOKOSA-N 2 2 345.512 3.361 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001753841052 1440502632 /nfs/dbraw/zinc/50/26/32/1440502632.db2.gz RPJWKWPBNIYCDD-LJQANCHMSA-N 2 2 342.487 3.006 20 0 EGADLP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754044547 1440534946 /nfs/dbraw/zinc/53/49/46/1440534946.db2.gz JECOOQSAPINWNL-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001754344059 1440589426 /nfs/dbraw/zinc/58/94/26/1440589426.db2.gz DRJQPHZAHPDMNX-IEBWSBKVSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001754344059 1440589427 /nfs/dbraw/zinc/58/94/27/1440589427.db2.gz DRJQPHZAHPDMNX-IEBWSBKVSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](CC(=O)N(C)CCC[NH2+]CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001754399706 1440595048 /nfs/dbraw/zinc/59/50/48/1440595048.db2.gz ILXHPOFXBKTHPG-ADKAHSJRSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCC1)n1cc[nH+]c1 ZINC001754651225 1440652036 /nfs/dbraw/zinc/65/20/36/1440652036.db2.gz VBIFRZHWZGVAAT-ROUUACIJSA-N 2 2 334.508 3.143 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@](C)(C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001754700802 1440667914 /nfs/dbraw/zinc/66/79/14/1440667914.db2.gz KVZXHAKBVBCHJW-YEODSOHDSA-N 2 2 335.879 3.201 20 0 EGADLP CC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1CC ZINC001754785879 1440687843 /nfs/dbraw/zinc/68/78/43/1440687843.db2.gz RGOAOMWCUUIOFC-LJQANCHMSA-N 2 2 336.439 3.206 20 0 EGADLP CCC[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC001754946434 1440713337 /nfs/dbraw/zinc/71/33/37/1440713337.db2.gz IGTUEJGSNXWZIA-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP CCC[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC001754946434 1440713338 /nfs/dbraw/zinc/71/33/38/1440713338.db2.gz IGTUEJGSNXWZIA-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001754982771 1440721634 /nfs/dbraw/zinc/72/16/34/1440721634.db2.gz ORRCOOVKLXDIIL-ARJAWSKDSA-N 2 2 326.444 3.161 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001755222881 1440784944 /nfs/dbraw/zinc/78/49/44/1440784944.db2.gz FPGDTFUINYTOJI-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001755242343 1440789746 /nfs/dbraw/zinc/78/97/46/1440789746.db2.gz BJPMBSLYFPQITN-JKSUJKDBSA-N 2 2 340.471 3.321 20 0 EGADLP CC1(C)CC(C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCCC2)C1 ZINC001755352892 1440828436 /nfs/dbraw/zinc/82/84/36/1440828436.db2.gz QVSJFXVGYSQICO-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP CC1(C)CC(C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCCC2)C1 ZINC001755352892 1440828437 /nfs/dbraw/zinc/82/84/37/1440828437.db2.gz QVSJFXVGYSQICO-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412928 1440847113 /nfs/dbraw/zinc/84/71/13/1440847113.db2.gz SPWIIVNVCLJYJY-ROUUACIJSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412928 1440847114 /nfs/dbraw/zinc/84/71/14/1440847114.db2.gz SPWIIVNVCLJYJY-ROUUACIJSA-N 2 2 346.519 3.097 20 0 EGADLP C[C@H](CC(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001755534249 1440868687 /nfs/dbraw/zinc/86/86/87/1440868687.db2.gz GZBXTHOSQCBDGR-MRXNPFEDSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001755534249 1440868688 /nfs/dbraw/zinc/86/86/88/1440868688.db2.gz GZBXTHOSQCBDGR-MRXNPFEDSA-N 2 2 334.508 3.193 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H]([NH2+]CC2CC(C)C2)C(C)C)c[nH+]1 ZINC001755551317 1440872046 /nfs/dbraw/zinc/87/20/46/1440872046.db2.gz WQDFEWPIUYCYEV-VMWRSERWSA-N 2 2 348.535 3.093 20 0 EGADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H]1CCc2ccccc21 ZINC001755595313 1440882608 /nfs/dbraw/zinc/88/26/08/1440882608.db2.gz MJSDOIDDSUROJG-CRAIPNDOSA-N 2 2 348.450 3.072 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736659 1440911062 /nfs/dbraw/zinc/91/10/62/1440911062.db2.gz YTBQKLVSXHIATJ-MSOLQXFVSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736659 1440911063 /nfs/dbraw/zinc/91/10/63/1440911063.db2.gz YTBQKLVSXHIATJ-MSOLQXFVSA-N 2 2 346.519 3.187 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737839 1440911247 /nfs/dbraw/zinc/91/12/47/1440911247.db2.gz NSQNKDBSBPAQLI-GDBMZVCRSA-N 2 2 328.460 3.241 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755849152 1440934392 /nfs/dbraw/zinc/93/43/92/1440934392.db2.gz ZULIKKYNZRMWHU-WBVHZDCISA-N 2 2 348.535 3.189 20 0 EGADLP C[C@H](CC(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755894795 1440942199 /nfs/dbraw/zinc/94/21/99/1440942199.db2.gz YHDCKNZJSCCUTM-QGZVFWFLSA-N 2 2 344.503 3.163 20 0 EGADLP C[C@H](CC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755894795 1440942200 /nfs/dbraw/zinc/94/22/00/1440942200.db2.gz YHDCKNZJSCCUTM-QGZVFWFLSA-N 2 2 344.503 3.163 20 0 EGADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164733721 720553344 /nfs/dbraw/zinc/55/33/44/720553344.db2.gz QGQOZGJBKJVJAI-UHFFFAOYSA-N 2 2 347.466 3.090 20 0 EGADLP c1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)cc(N2CCCCC2)[nH+]1 ZINC001165049153 721975418 /nfs/dbraw/zinc/97/54/18/721975418.db2.gz NUUXXUFLOVUSDC-GOSISDBHSA-N 2 2 343.519 3.312 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132537 168315571 /nfs/dbraw/zinc/31/55/71/168315571.db2.gz FXPWWSFPFOFSAN-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132537 168315572 /nfs/dbraw/zinc/31/55/72/168315572.db2.gz FXPWWSFPFOFSAN-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132537 168315573 /nfs/dbraw/zinc/31/55/73/168315573.db2.gz FXPWWSFPFOFSAN-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132537 168315574 /nfs/dbraw/zinc/31/55/74/168315574.db2.gz FXPWWSFPFOFSAN-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP CCn1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc2ccccc21 ZINC000054041116 214212253 /nfs/dbraw/zinc/21/22/53/214212253.db2.gz MNDBKIZQVUBPIG-UHFFFAOYSA-N 2 2 335.455 3.210 20 0 EGADLP CCc1ccc([C@H](COC)[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000165271239 529725487 /nfs/dbraw/zinc/72/54/87/529725487.db2.gz UUBUWNMPNINCJY-KRWDZBQOSA-N 2 2 329.444 3.183 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000181091364 529898783 /nfs/dbraw/zinc/89/87/83/529898783.db2.gz PYYHNRVPGSBXBP-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000181091364 529898784 /nfs/dbraw/zinc/89/87/84/529898784.db2.gz PYYHNRVPGSBXBP-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP CCC1(CC)[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1OC ZINC000344158586 282444140 /nfs/dbraw/zinc/44/41/40/282444140.db2.gz CBTQUTYXUCOZCG-IAGOWNOFSA-N 2 2 326.525 3.059 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000179434023 233029317 /nfs/dbraw/zinc/02/93/17/233029317.db2.gz UYBWVCYJRPHQGK-HXUWFJFHSA-N 2 2 338.499 3.239 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000179434023 233029323 /nfs/dbraw/zinc/02/93/23/233029323.db2.gz UYBWVCYJRPHQGK-HXUWFJFHSA-N 2 2 338.499 3.239 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179653414 233280641 /nfs/dbraw/zinc/28/06/41/233280641.db2.gz PKPQCHMFSAFNRC-UHFFFAOYSA-N 2 2 349.434 3.438 20 0 EGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068386631 215303965 /nfs/dbraw/zinc/30/39/65/215303965.db2.gz JUXROWQMSCHBFX-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515265 235119793 /nfs/dbraw/zinc/11/97/93/235119793.db2.gz HCACYEGNDYSXEI-GDBMZVCRSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515265 235119796 /nfs/dbraw/zinc/11/97/96/235119796.db2.gz HCACYEGNDYSXEI-GDBMZVCRSA-N 2 2 330.476 3.473 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944195 299310794 /nfs/dbraw/zinc/31/07/94/299310794.db2.gz UBAXBVKPLNKPHB-GHTZIAJQSA-N 2 2 337.511 3.042 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944195 299310797 /nfs/dbraw/zinc/31/07/97/299310797.db2.gz UBAXBVKPLNKPHB-GHTZIAJQSA-N 2 2 337.511 3.042 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858143 216317831 /nfs/dbraw/zinc/31/78/31/216317831.db2.gz KFFCTKLPURTSCF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858143 216317833 /nfs/dbraw/zinc/31/78/33/216317833.db2.gz KFFCTKLPURTSCF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858143 216317834 /nfs/dbraw/zinc/31/78/34/216317834.db2.gz KFFCTKLPURTSCF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072858143 216317835 /nfs/dbraw/zinc/31/78/35/216317835.db2.gz KFFCTKLPURTSCF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1-n1cc[nH+]c1 ZINC000193993557 240393891 /nfs/dbraw/zinc/39/38/91/240393891.db2.gz MXCYHHQRIIGLGA-ZTFGCOKTSA-N 2 2 327.403 3.059 20 0 EGADLP C[C@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCC[NH2+]C1 ZINC000353002397 291372408 /nfs/dbraw/zinc/37/24/08/291372408.db2.gz DKFJBSVMNHJRGB-IBGZPJMESA-N 2 2 326.444 3.091 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000252516406 296112595 /nfs/dbraw/zinc/11/25/95/296112595.db2.gz SJEXVULRRPFDKN-AJYBTWMASA-N 2 2 346.515 3.432 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000078456484 217055313 /nfs/dbraw/zinc/05/53/13/217055313.db2.gz VKXOZMRIFKALSD-UHFFFAOYSA-N 2 2 338.879 3.464 20 0 EGADLP COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000264901914 247026854 /nfs/dbraw/zinc/02/68/54/247026854.db2.gz IDLCPNHPYNSPHX-FQEVSTJZSA-N 2 2 337.423 3.046 20 0 EGADLP COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000264901914 247026858 /nfs/dbraw/zinc/02/68/58/247026858.db2.gz IDLCPNHPYNSPHX-FQEVSTJZSA-N 2 2 337.423 3.046 20 0 EGADLP CCC(CC)(CNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC000264953339 247081938 /nfs/dbraw/zinc/08/19/38/247081938.db2.gz UZUMBCMCLUPQQY-KRWDZBQOSA-N 2 2 342.487 3.299 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)o1 ZINC000265273219 247359423 /nfs/dbraw/zinc/35/94/23/247359423.db2.gz GLVQMIAFVDNPNR-UHFFFAOYSA-N 2 2 346.446 3.331 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266132269 248118275 /nfs/dbraw/zinc/11/82/75/248118275.db2.gz RKUKYUUPPDHZNX-NSHDSACASA-N 2 2 344.286 3.394 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000266234713 248192033 /nfs/dbraw/zinc/19/20/33/248192033.db2.gz VMWQXWFEWPXROK-ZDUSSCGKSA-N 2 2 328.441 3.326 20 0 EGADLP Fc1cncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337863 169012546 /nfs/dbraw/zinc/01/25/46/169012546.db2.gz QPLPVFLMYHXQCV-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337863 169012547 /nfs/dbraw/zinc/01/25/47/169012547.db2.gz QPLPVFLMYHXQCV-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337863 169012549 /nfs/dbraw/zinc/01/25/49/169012549.db2.gz QPLPVFLMYHXQCV-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337863 169012551 /nfs/dbraw/zinc/01/25/51/169012551.db2.gz QPLPVFLMYHXQCV-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000377615483 169048443 /nfs/dbraw/zinc/04/84/43/169048443.db2.gz MLXZAFVRVBHPBK-QGZVFWFLSA-N 2 2 343.515 3.293 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633577 169052591 /nfs/dbraw/zinc/05/25/91/169052591.db2.gz VKRLCCUDPBAKNS-AYBZRNKSSA-N 2 2 331.504 3.003 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633577 169052593 /nfs/dbraw/zinc/05/25/93/169052593.db2.gz VKRLCCUDPBAKNS-AYBZRNKSSA-N 2 2 331.504 3.003 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250839 169091582 /nfs/dbraw/zinc/09/15/82/169091582.db2.gz UTEBJUYXNVYLPV-RBSFLKMASA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250839 169091585 /nfs/dbraw/zinc/09/15/85/169091585.db2.gz UTEBJUYXNVYLPV-RBSFLKMASA-N 2 2 337.533 3.124 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+]1C ZINC000378571046 169139830 /nfs/dbraw/zinc/13/98/30/169139830.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+]1C ZINC000378571046 169139832 /nfs/dbraw/zinc/13/98/32/169139832.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571046 169139834 /nfs/dbraw/zinc/13/98/34/169139834.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571046 169139837 /nfs/dbraw/zinc/13/98/37/169139837.db2.gz PJSNPHIYMJUUFR-OHLDOZIISA-N 3 2 341.543 3.359 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C12CCCC2 ZINC000089986161 217903382 /nfs/dbraw/zinc/90/33/82/217903382.db2.gz FDVFXMXYMJHKQQ-WOJBJXKFSA-N 2 2 343.515 3.373 20 0 EGADLP C[N@@H+](Cc1ccccc1OCc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253615 218130327 /nfs/dbraw/zinc/13/03/27/218130327.db2.gz XQAZAFOKPGVXRC-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccccc1OCc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253615 218130329 /nfs/dbraw/zinc/13/03/29/218130329.db2.gz XQAZAFOKPGVXRC-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253615 218130330 /nfs/dbraw/zinc/13/03/30/218130330.db2.gz XQAZAFOKPGVXRC-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253615 218130332 /nfs/dbraw/zinc/13/03/32/218130332.db2.gz XQAZAFOKPGVXRC-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000092738260 218164072 /nfs/dbraw/zinc/16/40/72/218164072.db2.gz MWSLWYJNSGYILP-CYBMUJFWSA-N 2 2 344.484 3.181 20 0 EGADLP CCn1cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000093564625 218233442 /nfs/dbraw/zinc/23/34/42/218233442.db2.gz BHUVULMZJHDMNP-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP CCn1cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000093564625 218233444 /nfs/dbraw/zinc/23/34/44/218233444.db2.gz BHUVULMZJHDMNP-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCCn2cc[nH+]c2)nnn1-c1ccc(Cl)cc1 ZINC000095419095 218358498 /nfs/dbraw/zinc/35/84/98/218358498.db2.gz UDPLIXBQVAZVOP-ZDUSSCGKSA-N 2 2 344.850 3.167 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473166 251089819 /nfs/dbraw/zinc/08/98/19/251089819.db2.gz YLKFAOAKQJKQHB-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473166 251089822 /nfs/dbraw/zinc/08/98/22/251089822.db2.gz YLKFAOAKQJKQHB-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153232703 224077267 /nfs/dbraw/zinc/07/72/67/224077267.db2.gz IRTAUBKUBCDWGZ-XHSDSOJGSA-N 2 2 347.528 3.346 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268783665 252235207 /nfs/dbraw/zinc/23/52/07/252235207.db2.gz VCGLHUJLMOVFBN-OAQYLSRUSA-N 2 2 335.451 3.279 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000268874424 252321818 /nfs/dbraw/zinc/32/18/18/252321818.db2.gz WBLWENANGGFSMR-UHFFFAOYSA-N 2 2 338.499 3.323 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000118994468 221219504 /nfs/dbraw/zinc/21/95/04/221219504.db2.gz FTGQKLKAXAYJIJ-XUJVJEKNSA-N 2 2 328.403 3.115 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000118994468 221219505 /nfs/dbraw/zinc/21/95/05/221219505.db2.gz FTGQKLKAXAYJIJ-XUJVJEKNSA-N 2 2 328.403 3.115 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246697514 141026470 /nfs/dbraw/zinc/02/64/70/141026470.db2.gz BVTXMYNKTFCENC-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246697514 141026472 /nfs/dbraw/zinc/02/64/72/141026472.db2.gz BVTXMYNKTFCENC-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000246697514 141026475 /nfs/dbraw/zinc/02/64/75/141026475.db2.gz BVTXMYNKTFCENC-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000246697514 141026479 /nfs/dbraw/zinc/02/64/79/141026479.db2.gz BVTXMYNKTFCENC-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941536 141044700 /nfs/dbraw/zinc/04/47/00/141044700.db2.gz UEWNXRZIOVWPKH-ZRGWGRIASA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941536 141044701 /nfs/dbraw/zinc/04/47/01/141044701.db2.gz UEWNXRZIOVWPKH-ZRGWGRIASA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941536 141044702 /nfs/dbraw/zinc/04/47/02/141044702.db2.gz UEWNXRZIOVWPKH-ZRGWGRIASA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246941536 141044703 /nfs/dbraw/zinc/04/47/03/141044703.db2.gz UEWNXRZIOVWPKH-ZRGWGRIASA-N 2 2 345.462 3.101 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344555955 141172864 /nfs/dbraw/zinc/17/28/64/141172864.db2.gz YLHITECUBASSSX-LJQANCHMSA-N 2 2 330.859 3.067 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)cc1O ZINC000344565393 141174251 /nfs/dbraw/zinc/17/42/51/141174251.db2.gz PJZTYPKHXXKMNL-LPHOPBHVSA-N 2 2 340.467 3.401 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)cc1O ZINC000344565393 141174252 /nfs/dbraw/zinc/17/42/52/141174252.db2.gz PJZTYPKHXXKMNL-LPHOPBHVSA-N 2 2 340.467 3.401 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974585 141226544 /nfs/dbraw/zinc/22/65/44/141226544.db2.gz QRQHCQJHHZAIIC-AWEZNQCLSA-N 2 2 331.287 3.272 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974585 141226546 /nfs/dbraw/zinc/22/65/46/141226546.db2.gz QRQHCQJHHZAIIC-AWEZNQCLSA-N 2 2 331.287 3.272 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974585 141226548 /nfs/dbraw/zinc/22/65/48/141226548.db2.gz QRQHCQJHHZAIIC-AWEZNQCLSA-N 2 2 331.287 3.272 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974585 141226550 /nfs/dbraw/zinc/22/65/50/141226550.db2.gz QRQHCQJHHZAIIC-AWEZNQCLSA-N 2 2 331.287 3.272 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000352935556 141272119 /nfs/dbraw/zinc/27/21/19/141272119.db2.gz ZMEFHDUDJZHCKH-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000352935556 141272120 /nfs/dbraw/zinc/27/21/20/141272120.db2.gz ZMEFHDUDJZHCKH-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OCC ZINC000352935556 141272121 /nfs/dbraw/zinc/27/21/21/141272121.db2.gz ZMEFHDUDJZHCKH-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OCC ZINC000352935556 141272122 /nfs/dbraw/zinc/27/21/22/141272122.db2.gz ZMEFHDUDJZHCKH-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000352955075 141276964 /nfs/dbraw/zinc/27/69/64/141276964.db2.gz HEZSTJVCMYWMFG-XSYGEPLQSA-N 2 2 345.531 3.393 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000352955075 141276965 /nfs/dbraw/zinc/27/69/65/141276965.db2.gz HEZSTJVCMYWMFG-XSYGEPLQSA-N 2 2 345.531 3.393 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000352974962 141281432 /nfs/dbraw/zinc/28/14/32/141281432.db2.gz SDNNKTYAUZXOME-IRXDYDNUSA-N 2 2 335.923 3.330 20 0 EGADLP CCCOc1c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cccc1OCC ZINC000352982249 141282853 /nfs/dbraw/zinc/28/28/53/141282853.db2.gz KLJWJSZKTFFFTL-WMZOPIPTSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cccc1OCC ZINC000352982249 141282854 /nfs/dbraw/zinc/28/28/54/141282854.db2.gz KLJWJSZKTFFFTL-WMZOPIPTSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cccc1OCC ZINC000352982249 141282855 /nfs/dbraw/zinc/28/28/55/141282855.db2.gz KLJWJSZKTFFFTL-WMZOPIPTSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cccc1OCC ZINC000352982249 141282856 /nfs/dbraw/zinc/28/28/56/141282856.db2.gz KLJWJSZKTFFFTL-WMZOPIPTSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1(C(=O)OC)CCC1 ZINC000353339733 141290665 /nfs/dbraw/zinc/29/06/65/141290665.db2.gz YPCAWVKYDHANSS-GOSISDBHSA-N 2 2 341.455 3.143 20 0 EGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000354561418 141306624 /nfs/dbraw/zinc/30/66/24/141306624.db2.gz CBJGDZDLBPHREY-IMFGXOCKSA-N 2 2 331.504 3.402 20 0 EGADLP Cc1ccc(CCCNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c[nH+]1 ZINC000354566763 141307122 /nfs/dbraw/zinc/30/71/22/141307122.db2.gz IIPZFIOBWRQUPZ-IRXDYDNUSA-N 2 2 340.471 3.443 20 0 EGADLP CC[C@H](C)[N@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354593932 141311925 /nfs/dbraw/zinc/31/19/25/141311925.db2.gz FHCKMXYQNZPYAV-HNNXBMFYSA-N 2 2 342.487 3.150 20 0 EGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354593932 141311927 /nfs/dbraw/zinc/31/19/27/141311927.db2.gz FHCKMXYQNZPYAV-HNNXBMFYSA-N 2 2 342.487 3.150 20 0 EGADLP C[NH+](C)CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000356289326 141336614 /nfs/dbraw/zinc/33/66/14/141336614.db2.gz AQRNVDDBUUTZFO-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000357918068 141357396 /nfs/dbraw/zinc/35/73/96/141357396.db2.gz BJXHAQHMZWCFPD-UHFFFAOYSA-N 2 2 326.444 3.444 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1cccc(Cl)c1 ZINC000178411707 144070989 /nfs/dbraw/zinc/07/09/89/144070989.db2.gz BJWIXODWMZDNSQ-CQSZACIVSA-N 2 2 347.894 3.366 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344626726 144201915 /nfs/dbraw/zinc/20/19/15/144201915.db2.gz KTOUQLIVOAPYNQ-DYVFJYSZSA-N 2 2 330.451 3.201 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344626726 144201916 /nfs/dbraw/zinc/20/19/16/144201916.db2.gz KTOUQLIVOAPYNQ-DYVFJYSZSA-N 2 2 330.451 3.201 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@@H]12 ZINC000351494994 144269369 /nfs/dbraw/zinc/26/93/69/144269369.db2.gz OPUPOEDUPILPAU-JCURWCKSSA-N 2 2 347.459 3.030 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@@H]12 ZINC000351494994 144269370 /nfs/dbraw/zinc/26/93/70/144269370.db2.gz OPUPOEDUPILPAU-JCURWCKSSA-N 2 2 347.459 3.030 20 0 EGADLP Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)C2 ZINC000361600308 144335005 /nfs/dbraw/zinc/33/50/05/144335005.db2.gz GKUSQDRWWQAGAF-LJQANCHMSA-N 2 2 335.451 3.338 20 0 EGADLP Cc1ccc2c(c1)C[N@H+](C[C@@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)C2 ZINC000361600308 144335006 /nfs/dbraw/zinc/33/50/06/144335006.db2.gz GKUSQDRWWQAGAF-LJQANCHMSA-N 2 2 335.451 3.338 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnn(Cc3ccccc3)c1)CCC2 ZINC000364088502 144391379 /nfs/dbraw/zinc/39/13/79/144391379.db2.gz DWLHXIPJLKSGPN-IBGZPJMESA-N 2 2 335.455 3.104 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c3ccncc23)cc1F ZINC000364298104 144397636 /nfs/dbraw/zinc/39/76/36/144397636.db2.gz DCYYQBVCMNKZMR-UHFFFAOYSA-N 2 2 333.370 3.297 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(Br)cc1 ZINC000341153998 155195394 /nfs/dbraw/zinc/19/53/94/155195394.db2.gz DUYLHRCNXXHEKW-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(Br)cc1 ZINC000341153998 155195396 /nfs/dbraw/zinc/19/53/96/155195396.db2.gz DUYLHRCNXXHEKW-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000341384630 155261871 /nfs/dbraw/zinc/26/18/71/155261871.db2.gz XFICHNNRVVESSN-FXQLRMTLSA-N 2 2 336.442 3.444 20 0 EGADLP Cc1ccc(OCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341467234 155308634 /nfs/dbraw/zinc/30/86/34/155308634.db2.gz DIMISSBHLMMEDB-UHFFFAOYSA-N 2 2 339.483 3.413 20 0 EGADLP Cc1cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc(C2CC2)[nH+]1 ZINC000341504006 155326179 /nfs/dbraw/zinc/32/61/79/155326179.db2.gz QGNCOPTWULENIY-CYBMUJFWSA-N 2 2 328.485 3.005 20 0 EGADLP Cc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc(C2CC2)[nH+]1 ZINC000341504006 155326184 /nfs/dbraw/zinc/32/61/84/155326184.db2.gz QGNCOPTWULENIY-CYBMUJFWSA-N 2 2 328.485 3.005 20 0 EGADLP Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000115708018 152028751 /nfs/dbraw/zinc/02/87/51/152028751.db2.gz ONIXWXOTODKQSI-UHFFFAOYSA-N 2 2 325.412 3.006 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117764327 152114897 /nfs/dbraw/zinc/11/48/97/152114897.db2.gz KVMZPPVJYMZVRY-UHFFFAOYSA-N 2 2 348.450 3.254 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117764327 152114905 /nfs/dbraw/zinc/11/49/05/152114905.db2.gz KVMZPPVJYMZVRY-UHFFFAOYSA-N 2 2 348.450 3.254 20 0 EGADLP CSc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120200781 152258938 /nfs/dbraw/zinc/25/89/38/152258938.db2.gz YBVVOFBWIPZWEA-QGZVFWFLSA-N 2 2 330.453 3.336 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120668318 152291665 /nfs/dbraw/zinc/29/16/65/152291665.db2.gz UFVAMRMMJBAYDM-XHSDSOJGSA-N 2 2 342.487 3.112 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000121759602 152369086 /nfs/dbraw/zinc/36/90/86/152369086.db2.gz ZRWXUBMFMCLSGF-UHFFFAOYSA-N 2 2 338.377 3.289 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189755745 153094825 /nfs/dbraw/zinc/09/48/25/153094825.db2.gz DIPFUKYNUHDGOI-WDSOQIARSA-N 2 2 337.552 3.218 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189755745 153094830 /nfs/dbraw/zinc/09/48/30/153094830.db2.gz DIPFUKYNUHDGOI-WDSOQIARSA-N 2 2 337.552 3.218 20 0 EGADLP Cn1c(CCC[NH2+]Cc2nccn2-c2ccccc2)[nH+]c2ccccc21 ZINC000191135199 153177182 /nfs/dbraw/zinc/17/71/82/153177182.db2.gz BMVVWFXENQPACD-UHFFFAOYSA-N 2 2 345.450 3.481 20 0 EGADLP Cc1cnn(-c2cc[nH+]cc2NCc2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000191477181 153199662 /nfs/dbraw/zinc/19/96/62/153199662.db2.gz GWWORQPGMZHOII-UHFFFAOYSA-N 2 2 336.443 3.427 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193161401 153280814 /nfs/dbraw/zinc/28/08/14/153280814.db2.gz INMMFLMSMMORQH-PXNSSMCTSA-N 2 2 344.499 3.030 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000193161401 153280818 /nfs/dbraw/zinc/28/08/18/153280818.db2.gz INMMFLMSMMORQH-PXNSSMCTSA-N 2 2 344.499 3.030 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000302067504 154026037 /nfs/dbraw/zinc/02/60/37/154026037.db2.gz NSLWGHGNAZXYFW-UHFFFAOYSA-N 2 2 339.483 3.347 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000302067504 154026041 /nfs/dbraw/zinc/02/60/41/154026041.db2.gz NSLWGHGNAZXYFW-UHFFFAOYSA-N 2 2 339.483 3.347 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000305847785 154135361 /nfs/dbraw/zinc/13/53/61/154135361.db2.gz TWFRGYARJJSUPY-MSOLQXFVSA-N 2 2 336.838 3.081 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000326441555 154183983 /nfs/dbraw/zinc/18/39/83/154183983.db2.gz WPEIYHNNNRSEOQ-WOJBJXKFSA-N 2 2 326.488 3.334 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337280796 154258039 /nfs/dbraw/zinc/25/80/39/154258039.db2.gz VSOVKEGGTBOLMO-CYBMUJFWSA-N 2 2 341.858 3.224 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337280796 154258042 /nfs/dbraw/zinc/25/80/42/154258042.db2.gz VSOVKEGGTBOLMO-CYBMUJFWSA-N 2 2 341.858 3.224 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3OC(F)F)sc2C1 ZINC000337289644 154262072 /nfs/dbraw/zinc/26/20/72/154262072.db2.gz LUUBECFRCXOAEM-AAEUAGOBSA-N 2 2 345.459 3.160 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000337373528 154316752 /nfs/dbraw/zinc/31/67/52/154316752.db2.gz FFLAXDNPAJQUPT-YQQAZPJKSA-N 2 2 332.488 3.158 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000337373528 154316753 /nfs/dbraw/zinc/31/67/53/154316753.db2.gz FFLAXDNPAJQUPT-YQQAZPJKSA-N 2 2 332.488 3.158 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)oc1C ZINC000337452766 154361318 /nfs/dbraw/zinc/36/13/18/154361318.db2.gz IKSAWBKCUQHTRB-OXJNMPFZSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)oc1C ZINC000337452766 154361324 /nfs/dbraw/zinc/36/13/24/154361324.db2.gz IKSAWBKCUQHTRB-OXJNMPFZSA-N 2 2 328.456 3.184 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479488 154374273 /nfs/dbraw/zinc/37/42/73/154374273.db2.gz CSZHAHOKYAJISZ-QGZVFWFLSA-N 2 2 346.519 3.047 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479488 154374276 /nfs/dbraw/zinc/37/42/76/154374276.db2.gz CSZHAHOKYAJISZ-QGZVFWFLSA-N 2 2 346.519 3.047 20 0 EGADLP Brc1c[nH+]ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000339970248 155055161 /nfs/dbraw/zinc/05/51/61/155055161.db2.gz DETMSTKVZSFUTD-AWEZNQCLSA-N 2 2 336.233 3.108 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@H]3c3ccnn3C(C)C)c[nH+]c12 ZINC000343405203 155794244 /nfs/dbraw/zinc/79/42/44/155794244.db2.gz ZZQPUQXELGEBRC-SJLPKXTDSA-N 2 2 339.443 3.040 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971360 156222849 /nfs/dbraw/zinc/22/28/49/156222849.db2.gz HBHDLGLLMZKVJA-FUHWJXTLSA-N 2 2 347.503 3.004 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971360 156222857 /nfs/dbraw/zinc/22/28/57/156222857.db2.gz HBHDLGLLMZKVJA-FUHWJXTLSA-N 2 2 347.503 3.004 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000349146670 156366907 /nfs/dbraw/zinc/36/69/07/156366907.db2.gz HBZWJZSYUZQLPT-UHFFFAOYSA-N 2 2 329.370 3.100 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000349146670 156366911 /nfs/dbraw/zinc/36/69/11/156366911.db2.gz HBZWJZSYUZQLPT-UHFFFAOYSA-N 2 2 329.370 3.100 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000352620398 156384661 /nfs/dbraw/zinc/38/46/61/156384661.db2.gz CKMVIIRLRNYMPX-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)[nH+]1 ZINC000362086770 157015662 /nfs/dbraw/zinc/01/56/62/157015662.db2.gz NDEDBJPWWYWTRI-SFHVURJKSA-N 2 2 348.454 3.252 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000365700636 157221443 /nfs/dbraw/zinc/22/14/43/157221443.db2.gz ISIWJMXIJOXZLK-QFBILLFUSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000365700636 157221446 /nfs/dbraw/zinc/22/14/46/157221446.db2.gz ISIWJMXIJOXZLK-QFBILLFUSA-N 2 2 335.923 3.106 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1F ZINC000368809098 157294989 /nfs/dbraw/zinc/29/49/89/157294989.db2.gz GGNXIQSBTPSQFD-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1F ZINC000368809098 157294991 /nfs/dbraw/zinc/29/49/91/157294991.db2.gz GGNXIQSBTPSQFD-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP COCCCn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000367120784 292385599 /nfs/dbraw/zinc/38/55/99/292385599.db2.gz ILWFYPJGOZZXFI-MOPGFXCFSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000367120784 292385601 /nfs/dbraw/zinc/38/56/01/292385601.db2.gz ILWFYPJGOZZXFI-MOPGFXCFSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000367120784 292385603 /nfs/dbraw/zinc/38/56/03/292385603.db2.gz ILWFYPJGOZZXFI-MOPGFXCFSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000367120784 292385605 /nfs/dbraw/zinc/38/56/05/292385605.db2.gz ILWFYPJGOZZXFI-MOPGFXCFSA-N 2 2 348.535 3.006 20 0 EGADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413534 162302298 /nfs/dbraw/zinc/30/22/98/162302298.db2.gz FQMZLOUNRCEACR-CYBMUJFWSA-N 2 2 326.227 3.380 20 0 EGADLP Cn1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413534 162302303 /nfs/dbraw/zinc/30/23/03/162302303.db2.gz FQMZLOUNRCEACR-CYBMUJFWSA-N 2 2 326.227 3.380 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130966500 162386624 /nfs/dbraw/zinc/38/66/24/162386624.db2.gz OYADHTLNFGPEIF-AWEZNQCLSA-N 2 2 335.411 3.214 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000248035750 162984257 /nfs/dbraw/zinc/98/42/57/162984257.db2.gz ROLODIYZBGODOZ-OXQOHEQNSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000248035750 162984258 /nfs/dbraw/zinc/98/42/58/162984258.db2.gz ROLODIYZBGODOZ-OXQOHEQNSA-N 2 2 327.447 3.263 20 0 EGADLP c1c[nH+]c([C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000248835779 163038038 /nfs/dbraw/zinc/03/80/38/163038038.db2.gz GRXYFDACPIIDAW-AZUAARDMSA-N 2 2 347.466 3.006 20 0 EGADLP c1c[nH+]c([C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000248835779 163038040 /nfs/dbraw/zinc/03/80/40/163038040.db2.gz GRXYFDACPIIDAW-AZUAARDMSA-N 2 2 347.466 3.006 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000249115748 163057119 /nfs/dbraw/zinc/05/71/19/163057119.db2.gz SBCZHMJJRVEGPN-SOLBZPMBSA-N 2 2 341.503 3.240 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000249115748 163057121 /nfs/dbraw/zinc/05/71/21/163057121.db2.gz SBCZHMJJRVEGPN-SOLBZPMBSA-N 2 2 341.503 3.240 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000249115747 163057176 /nfs/dbraw/zinc/05/71/76/163057176.db2.gz SBCZHMJJRVEGPN-JFIYKMOQSA-N 2 2 341.503 3.240 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745060 164024493 /nfs/dbraw/zinc/02/44/93/164024493.db2.gz WDDOVLLUOSPYIS-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745060 164024496 /nfs/dbraw/zinc/02/44/96/164024496.db2.gz WDDOVLLUOSPYIS-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745060 164024498 /nfs/dbraw/zinc/02/44/98/164024498.db2.gz WDDOVLLUOSPYIS-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745060 164024499 /nfs/dbraw/zinc/02/44/99/164024499.db2.gz WDDOVLLUOSPYIS-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343816381 164042370 /nfs/dbraw/zinc/04/23/70/164042370.db2.gz NITIXRBTCHNRGO-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343816381 164042373 /nfs/dbraw/zinc/04/23/73/164042373.db2.gz NITIXRBTCHNRGO-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560333 164215281 /nfs/dbraw/zinc/21/52/81/164215281.db2.gz UITIZLDLGUUYDB-PIKOESSRSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560333 164215283 /nfs/dbraw/zinc/21/52/83/164215283.db2.gz UITIZLDLGUUYDB-PIKOESSRSA-N 2 2 349.563 3.218 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000346009421 164317059 /nfs/dbraw/zinc/31/70/59/164317059.db2.gz CINMWUKSSMCRSR-WMZOPIPTSA-N 2 2 340.471 3.029 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccccc1 ZINC000346009421 164317062 /nfs/dbraw/zinc/31/70/62/164317062.db2.gz CINMWUKSSMCRSR-WMZOPIPTSA-N 2 2 340.471 3.029 20 0 EGADLP Cc1ccc(CCC[NH2+]CC2CCN(CC(F)(F)F)CC2)c[nH+]1 ZINC000354917774 166063471 /nfs/dbraw/zinc/06/34/71/166063471.db2.gz HUUXUVLAHDULGO-UHFFFAOYSA-N 2 2 329.410 3.187 20 0 EGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)C1 ZINC000344862392 287081035 /nfs/dbraw/zinc/08/10/35/287081035.db2.gz HFISCUJWFPFJON-RPWFAHAXSA-N 2 2 344.503 3.173 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(F)c1 ZINC000351620707 165104914 /nfs/dbraw/zinc/10/49/14/165104914.db2.gz QSINRYYSIHYDTI-SCWSEQNSSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(F)c1 ZINC000351620707 165104919 /nfs/dbraw/zinc/10/49/19/165104919.db2.gz QSINRYYSIHYDTI-SCWSEQNSSA-N 2 2 342.458 3.359 20 0 EGADLP Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cn2cc[nH+]c12 ZINC000355411592 166189266 /nfs/dbraw/zinc/18/92/66/166189266.db2.gz CQTDDVXMTXNYTJ-UHFFFAOYSA-N 2 2 331.379 3.140 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355416509 166191498 /nfs/dbraw/zinc/19/14/98/166191498.db2.gz HLZHCFVPHRKHLY-UHFFFAOYSA-N 2 2 333.395 3.330 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000359052168 167051609 /nfs/dbraw/zinc/05/16/09/167051609.db2.gz FRPWCSWBFMDLAD-ZIAGYGMSSA-N 2 2 328.909 3.260 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000359052168 167051611 /nfs/dbraw/zinc/05/16/11/167051611.db2.gz FRPWCSWBFMDLAD-ZIAGYGMSSA-N 2 2 328.909 3.260 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000359659458 167203065 /nfs/dbraw/zinc/20/30/65/167203065.db2.gz VCODDWBSCPJMBE-APWZRJJASA-N 2 2 331.504 3.106 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552315 167355594 /nfs/dbraw/zinc/35/55/94/167355594.db2.gz NTIKMTATAXJRJN-JTSKRJEESA-N 2 2 349.478 3.366 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552315 167355596 /nfs/dbraw/zinc/35/55/96/167355596.db2.gz NTIKMTATAXJRJN-JTSKRJEESA-N 2 2 349.478 3.366 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000364831961 167989360 /nfs/dbraw/zinc/98/93/60/167989360.db2.gz WITJDSGJXGVNPV-IAGOWNOFSA-N 2 2 337.471 3.394 20 0 EGADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cnn1C(C)(C)C ZINC000364913689 168000866 /nfs/dbraw/zinc/00/08/66/168000866.db2.gz HSEDUJZWNHCCPH-CQSZACIVSA-N 2 2 338.459 3.378 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)ccn1 ZINC000365799903 168045084 /nfs/dbraw/zinc/04/50/84/168045084.db2.gz YNOCRDFJODWTKA-UHFFFAOYSA-N 2 2 336.483 3.110 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000366794337 168141658 /nfs/dbraw/zinc/14/16/58/168141658.db2.gz ZGOSGHJRTVEHAS-RBUKOAKNSA-N 2 2 326.488 3.168 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000366794337 168141660 /nfs/dbraw/zinc/14/16/60/168141660.db2.gz ZGOSGHJRTVEHAS-RBUKOAKNSA-N 2 2 326.488 3.168 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000366794336 168141700 /nfs/dbraw/zinc/14/17/00/168141700.db2.gz ZGOSGHJRTVEHAS-OALUTQOASA-N 2 2 326.488 3.168 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000366794336 168141701 /nfs/dbraw/zinc/14/17/01/168141701.db2.gz ZGOSGHJRTVEHAS-OALUTQOASA-N 2 2 326.488 3.168 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000366956421 168160938 /nfs/dbraw/zinc/16/09/38/168160938.db2.gz ZOMDAQXUJXCOSQ-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000366956421 168160941 /nfs/dbraw/zinc/16/09/41/168160941.db2.gz ZOMDAQXUJXCOSQ-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013648 168168499 /nfs/dbraw/zinc/16/84/99/168168499.db2.gz AYACAYRWHSBGTI-QWFCFKBJSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013648 168168501 /nfs/dbraw/zinc/16/85/01/168168501.db2.gz AYACAYRWHSBGTI-QWFCFKBJSA-N 2 2 341.455 3.025 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(SC)cc1OC ZINC000367415057 168222703 /nfs/dbraw/zinc/22/27/03/168222703.db2.gz JTTOTCJXOVMEOR-UHFFFAOYSA-N 2 2 347.484 3.248 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc(OC)c1OC ZINC000367437640 168225459 /nfs/dbraw/zinc/22/54/59/168225459.db2.gz JEVPSRJHWSCTNR-CYBMUJFWSA-N 2 2 345.443 3.096 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439776 168226224 /nfs/dbraw/zinc/22/62/24/168226224.db2.gz WXMAHQIDRJNVOH-QGZVFWFLSA-N 2 2 331.435 3.096 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000367438841 168226357 /nfs/dbraw/zinc/22/63/57/168226357.db2.gz PQLITFJBDGPCQT-INIZCTEOSA-N 2 2 340.471 3.343 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000677845592 549341129 /nfs/dbraw/zinc/34/11/29/549341129.db2.gz IJOGPLQMZXLXDH-SJLPKXTDSA-N 2 2 334.504 3.489 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158840014 225094664 /nfs/dbraw/zinc/09/46/64/225094664.db2.gz TZOBCBIMFFUFEG-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158840014 225094667 /nfs/dbraw/zinc/09/46/67/225094667.db2.gz TZOBCBIMFFUFEG-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158840014 225094670 /nfs/dbraw/zinc/09/46/70/225094670.db2.gz TZOBCBIMFFUFEG-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158840014 225094675 /nfs/dbraw/zinc/09/46/75/225094675.db2.gz TZOBCBIMFFUFEG-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP C[N@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122350781 222068587 /nfs/dbraw/zinc/06/85/87/222068587.db2.gz NGEXHYCRHUIGJF-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122350781 222068590 /nfs/dbraw/zinc/06/85/90/222068590.db2.gz NGEXHYCRHUIGJF-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP CC(C)[N@H+](CCC[NH+]1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000161727873 264897216 /nfs/dbraw/zinc/89/72/16/264897216.db2.gz WCYXHDYRRLPWLU-UHFFFAOYSA-N 2 2 342.487 3.010 20 0 EGADLP CC(C)[N@@H+](CCC[NH+]1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000161727873 264897222 /nfs/dbraw/zinc/89/72/22/264897222.db2.gz WCYXHDYRRLPWLU-UHFFFAOYSA-N 2 2 342.487 3.010 20 0 EGADLP c1ccc2sc(N3CC[NH+](CCC[NH+]4CCCCC4)CC3)nc2c1 ZINC000193470037 266036244 /nfs/dbraw/zinc/03/62/44/266036244.db2.gz QGCJQRZRXSNSNQ-UHFFFAOYSA-N 2 2 344.528 3.294 20 0 EGADLP Cc1cncc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000274366247 267224201 /nfs/dbraw/zinc/22/42/01/267224201.db2.gz JRTACLJRYCCHFP-QAPCUYQASA-N 2 2 325.460 3.098 20 0 EGADLP COc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274786281 267286753 /nfs/dbraw/zinc/28/67/53/267286753.db2.gz ATBHCUFMLPNOTL-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274786281 267286755 /nfs/dbraw/zinc/28/67/55/267286755.db2.gz ATBHCUFMLPNOTL-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000359525919 274136317 /nfs/dbraw/zinc/13/63/17/274136317.db2.gz SXSJMSGVWFRULO-UYAOXDASSA-N 2 2 332.488 3.019 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)CCC2 ZINC000359525919 274136319 /nfs/dbraw/zinc/13/63/19/274136319.db2.gz SXSJMSGVWFRULO-UYAOXDASSA-N 2 2 332.488 3.019 20 0 EGADLP c1cn(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360732 275072678 /nfs/dbraw/zinc/07/26/78/275072678.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360732 275072679 /nfs/dbraw/zinc/07/26/79/275072679.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360732 275072680 /nfs/dbraw/zinc/07/26/80/275072680.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360732 275072681 /nfs/dbraw/zinc/07/26/81/275072681.db2.gz ZXRDHVKTTBHURT-NRFANRHFSA-N 3 2 338.499 3.261 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277500540 275254625 /nfs/dbraw/zinc/25/46/25/275254625.db2.gz PGTIFQRDIKOGJT-WBMJQRKESA-N 2 2 345.830 3.398 20 0 EGADLP C[C@H](c1ccncc1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589810 275257054 /nfs/dbraw/zinc/25/70/54/275257054.db2.gz KYJOVBGMWODNCX-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccncc1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589810 275257055 /nfs/dbraw/zinc/25/70/55/275257055.db2.gz KYJOVBGMWODNCX-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccncc1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278589810 275257056 /nfs/dbraw/zinc/25/70/56/275257056.db2.gz KYJOVBGMWODNCX-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccncc1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278589810 275257057 /nfs/dbraw/zinc/25/70/57/275257057.db2.gz KYJOVBGMWODNCX-WIYYLYMNSA-N 2 2 339.483 3.366 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000278753366 275271700 /nfs/dbraw/zinc/27/17/00/275271700.db2.gz SJYAEVOSSABOBN-UHFFFAOYSA-N 2 2 349.438 3.219 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279126100 275305935 /nfs/dbraw/zinc/30/59/35/275305935.db2.gz DIWUBBVRIOHDET-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279126100 275305937 /nfs/dbraw/zinc/30/59/37/275305937.db2.gz DIWUBBVRIOHDET-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000281900028 275586786 /nfs/dbraw/zinc/58/67/86/275586786.db2.gz UEXAJQTVEIRJTL-GOSISDBHSA-N 2 2 340.471 3.332 20 0 EGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000282187651 275609880 /nfs/dbraw/zinc/60/98/80/275609880.db2.gz NDXQJTMUZNDHHV-QRFRQXIXSA-N 2 2 331.504 3.402 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288688 276023416 /nfs/dbraw/zinc/02/34/16/276023416.db2.gz MRMMVJJYFLGVRE-DFHBCGBQSA-N 2 2 329.444 3.445 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288688 276023418 /nfs/dbraw/zinc/02/34/18/276023418.db2.gz MRMMVJJYFLGVRE-DFHBCGBQSA-N 2 2 329.444 3.445 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000363652547 276055921 /nfs/dbraw/zinc/05/59/21/276055921.db2.gz QJLPVVDJUVJSLZ-UZLBHIALSA-N 2 2 343.515 3.285 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000363652547 276055922 /nfs/dbraw/zinc/05/59/22/276055922.db2.gz QJLPVVDJUVJSLZ-UZLBHIALSA-N 2 2 343.515 3.285 20 0 EGADLP Cc1ccc([C@H](CNC(=O)Nc2c(C)cc[nH+]c2C)[NH+](C)C)cc1 ZINC000287455816 276121115 /nfs/dbraw/zinc/12/11/15/276121115.db2.gz IJZSGPOQDABCEL-KRWDZBQOSA-N 2 2 326.444 3.431 20 0 EGADLP COc1cc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cc(OC)c1O ZINC000289350802 276326024 /nfs/dbraw/zinc/32/60/24/276326024.db2.gz XJIXYVVQRBCBIQ-QGZVFWFLSA-N 2 2 344.455 3.110 20 0 EGADLP COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000289503847 276349051 /nfs/dbraw/zinc/34/90/51/276349051.db2.gz KFJVHIGJUVUDQP-UHFFFAOYSA-N 2 2 346.434 3.323 20 0 EGADLP COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000289503847 276349053 /nfs/dbraw/zinc/34/90/53/276349053.db2.gz KFJVHIGJUVUDQP-UHFFFAOYSA-N 2 2 346.434 3.323 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000289528641 276353174 /nfs/dbraw/zinc/35/31/74/276353174.db2.gz BQSAGXQOCGOJDU-YRWFTTLQSA-N 2 2 341.503 3.105 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000289528641 276353175 /nfs/dbraw/zinc/35/31/75/276353175.db2.gz BQSAGXQOCGOJDU-YRWFTTLQSA-N 2 2 341.503 3.105 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000289733837 276385441 /nfs/dbraw/zinc/38/54/41/276385441.db2.gz OZEDXJBJYLUMEV-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP CCS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342793745 276397423 /nfs/dbraw/zinc/39/74/23/276397423.db2.gz JDBCHPAUMZBAEA-IAGOWNOFSA-N 2 2 342.549 3.058 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO[C@H]1C1CC1 ZINC000364151801 278562115 /nfs/dbraw/zinc/56/21/15/278562115.db2.gz VLMFSPSRVORDLG-JKSUJKDBSA-N 2 2 334.426 3.198 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152371835 279235420 /nfs/dbraw/zinc/23/54/20/279235420.db2.gz YRCACFPEQHOPEK-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152371835 279235421 /nfs/dbraw/zinc/23/54/21/279235421.db2.gz YRCACFPEQHOPEK-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152371835 279235423 /nfs/dbraw/zinc/23/54/23/279235423.db2.gz YRCACFPEQHOPEK-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152371835 279235424 /nfs/dbraw/zinc/23/54/24/279235424.db2.gz YRCACFPEQHOPEK-CHWSQXEVSA-N 2 2 341.858 3.080 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220860 279397503 /nfs/dbraw/zinc/39/75/03/279397503.db2.gz FQVXRXXHSWRKJN-PKOBYXMFSA-N 2 2 331.504 3.233 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220860 279397504 /nfs/dbraw/zinc/39/75/04/279397504.db2.gz FQVXRXXHSWRKJN-PKOBYXMFSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220860 279397506 /nfs/dbraw/zinc/39/75/06/279397506.db2.gz FQVXRXXHSWRKJN-PKOBYXMFSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220860 279397508 /nfs/dbraw/zinc/39/75/08/279397508.db2.gz FQVXRXXHSWRKJN-PKOBYXMFSA-N 2 2 331.504 3.233 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)C[C@@H](C)O1 ZINC000248440011 288163963 /nfs/dbraw/zinc/16/39/63/288163963.db2.gz JBCSCYITSKPUQM-RKVPGOIHSA-N 2 2 336.451 3.128 20 0 EGADLP COc1ccccc1C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247970483 295360969 /nfs/dbraw/zinc/36/09/69/295360969.db2.gz FONDMMYPKNKUIP-RTBURBONSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247970483 295360971 /nfs/dbraw/zinc/36/09/71/295360971.db2.gz FONDMMYPKNKUIP-RTBURBONSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000247970483 295360973 /nfs/dbraw/zinc/36/09/73/295360973.db2.gz FONDMMYPKNKUIP-RTBURBONSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCCO1 ZINC000247970483 295360976 /nfs/dbraw/zinc/36/09/76/295360976.db2.gz FONDMMYPKNKUIP-RTBURBONSA-N 2 2 332.488 3.161 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414055562 309058067 /nfs/dbraw/zinc/05/80/67/309058067.db2.gz CQTHOSAZXNPAOB-HNNXBMFYSA-N 2 2 333.501 3.429 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414055562 309058068 /nfs/dbraw/zinc/05/80/68/309058068.db2.gz CQTHOSAZXNPAOB-HNNXBMFYSA-N 2 2 333.501 3.429 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)cc1F ZINC000414063967 309058467 /nfs/dbraw/zinc/05/84/67/309058467.db2.gz FDQVFJFHIPTMIL-CYBMUJFWSA-N 2 2 339.418 3.313 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414121860 309062220 /nfs/dbraw/zinc/06/22/20/309062220.db2.gz FLXXDTRGZQQFPQ-UHOSZYNNSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414121860 309062221 /nfs/dbraw/zinc/06/22/21/309062221.db2.gz FLXXDTRGZQQFPQ-UHOSZYNNSA-N 2 2 336.907 3.413 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153149077 307767157 /nfs/dbraw/zinc/76/71/57/307767157.db2.gz CCTDKFUHXXWEKZ-KGLIPLIRSA-N 2 2 325.522 3.194 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000414303112 309071665 /nfs/dbraw/zinc/07/16/65/309071665.db2.gz CTEVLSHBWAHIBL-AWEZNQCLSA-N 2 2 346.475 3.134 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367462 309075712 /nfs/dbraw/zinc/07/57/12/309075712.db2.gz QRYOWZMDQUYASL-KBXCAEBGSA-N 2 2 348.853 3.360 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367462 309075713 /nfs/dbraw/zinc/07/57/13/309075713.db2.gz QRYOWZMDQUYASL-KBXCAEBGSA-N 2 2 348.853 3.360 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000249123938 308019565 /nfs/dbraw/zinc/01/95/65/308019565.db2.gz YWRUGCVTGOTSCS-UXHICEINSA-N 2 2 332.488 3.093 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C2CC2)cc1 ZINC000249123938 308019566 /nfs/dbraw/zinc/01/95/66/308019566.db2.gz YWRUGCVTGOTSCS-UXHICEINSA-N 2 2 332.488 3.093 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416168 309078879 /nfs/dbraw/zinc/07/88/79/309078879.db2.gz VXADZRMHGMDMKS-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416168 309078880 /nfs/dbraw/zinc/07/88/80/309078880.db2.gz VXADZRMHGMDMKS-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416168 309078881 /nfs/dbraw/zinc/07/88/81/309078881.db2.gz VXADZRMHGMDMKS-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416168 309078882 /nfs/dbraw/zinc/07/88/82/309078882.db2.gz VXADZRMHGMDMKS-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293013883 308090094 /nfs/dbraw/zinc/09/00/94/308090094.db2.gz PYLQPWMCXAEOFT-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293013883 308090095 /nfs/dbraw/zinc/09/00/95/308090095.db2.gz PYLQPWMCXAEOFT-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293013883 308090097 /nfs/dbraw/zinc/09/00/97/308090097.db2.gz PYLQPWMCXAEOFT-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293013883 308090099 /nfs/dbraw/zinc/09/00/99/308090099.db2.gz PYLQPWMCXAEOFT-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP C[NH+](C)Cc1ccc(NCc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000414485425 309083561 /nfs/dbraw/zinc/08/35/61/309083561.db2.gz IWGFAGWMUXQDGA-UHFFFAOYSA-N 2 2 328.435 3.495 20 0 EGADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000293595449 308145224 /nfs/dbraw/zinc/14/52/24/308145224.db2.gz ONUPNVSDAHAUAN-RBUKOAKNSA-N 2 2 330.497 3.029 20 0 EGADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000293595449 308145226 /nfs/dbraw/zinc/14/52/26/308145226.db2.gz ONUPNVSDAHAUAN-RBUKOAKNSA-N 2 2 330.497 3.029 20 0 EGADLP CCN(C)c1ccc(CN(CC[NH3+])c2ccc3ccccc3n2)c[nH+]1 ZINC000414496782 309084605 /nfs/dbraw/zinc/08/46/05/309084605.db2.gz ZNBGFAQPQCVJGY-UHFFFAOYSA-N 2 2 335.455 3.051 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[N@H+]1C ZINC000294028317 308184216 /nfs/dbraw/zinc/18/42/16/308184216.db2.gz RGUOWPOWYAJSRA-GASCZTMLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[N@@H+]1C ZINC000294028317 308184218 /nfs/dbraw/zinc/18/42/18/308184218.db2.gz RGUOWPOWYAJSRA-GASCZTMLSA-N 2 2 325.412 3.039 20 0 EGADLP Oc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1Cl ZINC000294125134 308192588 /nfs/dbraw/zinc/19/25/88/308192588.db2.gz NNQSQUWTKQUHPK-UHFFFAOYSA-N 2 2 346.858 3.168 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588529 308341242 /nfs/dbraw/zinc/34/12/42/308341242.db2.gz DZRCYDHUINBKCQ-KBXCAEBGSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588529 308341243 /nfs/dbraw/zinc/34/12/43/308341243.db2.gz DZRCYDHUINBKCQ-KBXCAEBGSA-N 2 2 331.410 3.360 20 0 EGADLP Clc1ccc2c(n1)CCC[C@@H]2[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000295823927 308364043 /nfs/dbraw/zinc/36/40/43/308364043.db2.gz DKQKWYNOAHBMKJ-HNNXBMFYSA-N 2 2 339.830 3.483 20 0 EGADLP Cn1c2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2[nH+]c1C1CC1 ZINC000298358853 308606838 /nfs/dbraw/zinc/60/68/38/308606838.db2.gz LJSBSEIFMXOGDL-UHFFFAOYSA-N 2 2 345.406 3.028 20 0 EGADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414803100 309102449 /nfs/dbraw/zinc/10/24/49/309102449.db2.gz JGPMAYMKZPDOIB-SFHVURJKSA-N 2 2 345.531 3.026 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414829653 309104265 /nfs/dbraw/zinc/10/42/65/309104265.db2.gz MYLDSXPQXSFEDW-UHFFFAOYSA-N 2 2 334.467 3.298 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1CCCCC1 ZINC000414839646 309104793 /nfs/dbraw/zinc/10/47/93/309104793.db2.gz LSWJOOGFFQXYRD-IBGZPJMESA-N 2 2 330.451 3.068 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1nc[nH+]c(N)c1Cl)c1ccsc1 ZINC000302774586 308744939 /nfs/dbraw/zinc/74/49/39/308744939.db2.gz DRFDONGJINJKNP-NSHDSACASA-N 2 2 325.869 3.269 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000334079124 308875769 /nfs/dbraw/zinc/87/57/69/308875769.db2.gz NXQPEFZPLZVDKV-JKSUJKDBSA-N 2 2 349.523 3.116 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000398976058 308906487 /nfs/dbraw/zinc/90/64/87/308906487.db2.gz YVHADRVIFGOENJ-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000414849007 309105422 /nfs/dbraw/zinc/10/54/22/309105422.db2.gz WXSASFXJJHKIFU-XUVXKRRUSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCCC1 ZINC000414849007 309105423 /nfs/dbraw/zinc/10/54/23/309105423.db2.gz WXSASFXJJHKIFU-XUVXKRRUSA-N 3 2 327.516 3.148 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414851125 309105517 /nfs/dbraw/zinc/10/55/17/309105517.db2.gz TXVYNXIFAZSTRX-IBGZPJMESA-N 2 2 326.488 3.451 20 0 EGADLP Cc1nn2c(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)c(C)nc2s1 ZINC000414852809 309105695 /nfs/dbraw/zinc/10/56/95/309105695.db2.gz WKWQYVNFROLJAS-INIZCTEOSA-N 2 2 343.500 3.321 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000414876766 309106840 /nfs/dbraw/zinc/10/68/40/309106840.db2.gz DWXXSHZRORYOPH-MOPGFXCFSA-N 2 2 332.394 3.209 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895423 309107834 /nfs/dbraw/zinc/10/78/34/309107834.db2.gz WYTHSYPOIZFXGL-GOSISDBHSA-N 2 2 332.879 3.029 20 0 EGADLP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[NH2+]CC1 ZINC000414902170 309108294 /nfs/dbraw/zinc/10/82/94/309108294.db2.gz KMVLKAQWPFOVAS-UHFFFAOYSA-N 3 2 335.923 3.284 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414951515 309110901 /nfs/dbraw/zinc/11/09/01/309110901.db2.gz JDKFRANBURPRBH-SWLSCSKDSA-N 2 2 338.377 3.121 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1OC ZINC000414950273 309110921 /nfs/dbraw/zinc/11/09/21/309110921.db2.gz DYQYVPROPZXASP-HNAYVOBHSA-N 2 2 340.467 3.111 20 0 EGADLP Cn1c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)nc2cc(C(F)(F)F)ccc21 ZINC000414962317 309111637 /nfs/dbraw/zinc/11/16/37/309111637.db2.gz CIEUJMKLBVGXSJ-CQSZACIVSA-N 2 2 340.393 3.070 20 0 EGADLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414973027 309112361 /nfs/dbraw/zinc/11/23/61/309112361.db2.gz BLTBMHKQGHJMFY-AWEZNQCLSA-N 2 2 331.847 3.419 20 0 EGADLP [NH3+]C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000415068182 309118138 /nfs/dbraw/zinc/11/81/38/309118138.db2.gz QLUPVOSQGWNGMW-LJQANCHMSA-N 2 2 335.923 3.412 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C(=O)N1c1ccccc1 ZINC000415100767 309120418 /nfs/dbraw/zinc/12/04/18/309120418.db2.gz HZVPMBBCUMOXRV-DWIQEWEKSA-N 2 2 349.478 3.263 20 0 EGADLP [NH3+][C@@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@H]1c1ccccc1F ZINC000415117058 309121435 /nfs/dbraw/zinc/12/14/35/309121435.db2.gz FUGAGMVJERFQQZ-DOTOQJQBSA-N 2 2 344.821 3.054 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129292 309122539 /nfs/dbraw/zinc/12/25/39/309122539.db2.gz PDWIUMJGLPUDPE-JSGCOSHPSA-N 2 2 326.868 3.164 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129292 309122540 /nfs/dbraw/zinc/12/25/40/309122540.db2.gz PDWIUMJGLPUDPE-JSGCOSHPSA-N 2 2 326.868 3.164 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000415138465 309123262 /nfs/dbraw/zinc/12/32/62/309123262.db2.gz VHNGDVAKVIIIPT-UHFFFAOYSA-N 2 2 337.208 3.092 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000415138465 309123261 /nfs/dbraw/zinc/12/32/61/309123261.db2.gz VHNGDVAKVIIIPT-UHFFFAOYSA-N 2 2 337.208 3.092 20 0 EGADLP C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@@H]1C[NH3+] ZINC000415186237 309125305 /nfs/dbraw/zinc/12/53/05/309125305.db2.gz NASWPRWXHDDOAC-RDTXWAMCSA-N 2 2 340.427 3.465 20 0 EGADLP CC1(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]CC1 ZINC000415187877 309125380 /nfs/dbraw/zinc/12/53/80/309125380.db2.gz PZNCPSJEOGPSFV-UHFFFAOYSA-N 2 2 340.427 3.385 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415187457 309125470 /nfs/dbraw/zinc/12/54/70/309125470.db2.gz PCFIHHOIQTYDQD-MRXNPFEDSA-N 2 2 328.416 3.369 20 0 EGADLP C[C@@H]([NH3+])C1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000415193103 309125724 /nfs/dbraw/zinc/12/57/24/309125724.db2.gz XXKVQLLQMNVKSQ-CQSZACIVSA-N 2 2 340.427 3.465 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)[C@@H](C)C[NH3+])c1 ZINC000415294741 309130216 /nfs/dbraw/zinc/13/02/16/309130216.db2.gz OXFYXVJQXLNYGZ-AWEZNQCLSA-N 2 2 329.448 3.161 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000415906742 309147445 /nfs/dbraw/zinc/14/74/45/309147445.db2.gz LPOZVYZCOJQEBZ-UHFFFAOYSA-N 2 2 341.459 3.205 20 0 EGADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000416236152 309164981 /nfs/dbraw/zinc/16/49/81/309164981.db2.gz AFOCHUQBAUQARA-SJLPKXTDSA-N 2 2 340.471 3.023 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418369634 309244470 /nfs/dbraw/zinc/24/44/70/309244470.db2.gz UOFJJNUYEOODSH-IRXDYDNUSA-N 2 2 347.507 3.047 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419296251 309263577 /nfs/dbraw/zinc/26/35/77/309263577.db2.gz RRQJRBPCVCJNQG-CQSZACIVSA-N 2 2 333.451 3.068 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)C3CC[NH2+]CC3)cs2)cc1OC ZINC000420280656 309279262 /nfs/dbraw/zinc/27/92/62/309279262.db2.gz YWBJQMASVROBOH-UHFFFAOYSA-N 2 2 347.484 3.011 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)C3CC[NH2+]CC3)cs2)cc1OC ZINC000420280656 309279263 /nfs/dbraw/zinc/27/92/63/309279263.db2.gz YWBJQMASVROBOH-UHFFFAOYSA-N 2 2 347.484 3.011 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000420290035 309279452 /nfs/dbraw/zinc/27/94/52/309279452.db2.gz UCYCJJSWXMFNTQ-SMDDNHRTSA-N 2 2 334.261 3.349 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]12 ZINC000420298932 309280112 /nfs/dbraw/zinc/28/01/12/309280112.db2.gz AGRVLJYPKWHKGM-MISXGVKJSA-N 2 2 335.423 3.257 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]12 ZINC000420298932 309280113 /nfs/dbraw/zinc/28/01/13/309280113.db2.gz AGRVLJYPKWHKGM-MISXGVKJSA-N 2 2 335.423 3.257 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000420357282 309283796 /nfs/dbraw/zinc/28/37/96/309283796.db2.gz HCDUANIBGHKKHB-QMTHXVAHSA-N 2 2 346.302 3.134 20 0 EGADLP CC(C)C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420354249 309283900 /nfs/dbraw/zinc/28/39/00/309283900.db2.gz CSEPDNMGHULQMH-VQTJNVASSA-N 2 2 345.531 3.387 20 0 EGADLP CCN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H](C)c1ccc(F)cc1 ZINC000420357943 309283915 /nfs/dbraw/zinc/28/39/15/309283915.db2.gz DYPBUBIFQQYQBU-HNAYVOBHSA-N 2 2 349.494 3.232 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1 ZINC000420358071 309283947 /nfs/dbraw/zinc/28/39/47/309283947.db2.gz JAXQHFDMMOCXDR-GUYCJALGSA-N 2 2 337.895 3.014 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccccc1C(F)(F)F ZINC000420360030 309284179 /nfs/dbraw/zinc/28/41/79/309284179.db2.gz GSGHWDYSXHUUMG-OZTPJHRESA-N 2 2 343.393 3.009 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000420385781 309285798 /nfs/dbraw/zinc/28/57/98/309285798.db2.gz FHYQJMJFWPZOPV-MAUKXSAKSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000420385781 309285799 /nfs/dbraw/zinc/28/57/99/309285799.db2.gz FHYQJMJFWPZOPV-MAUKXSAKSA-N 2 2 329.419 3.445 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392041 309285908 /nfs/dbraw/zinc/28/59/08/309285908.db2.gz IVLZGGSZQCOAHZ-ZFWWWQNUSA-N 2 2 334.414 3.395 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420392041 309285909 /nfs/dbraw/zinc/28/59/09/309285909.db2.gz IVLZGGSZQCOAHZ-ZFWWWQNUSA-N 2 2 334.414 3.395 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1c1ccccc1F ZINC000420389193 309285972 /nfs/dbraw/zinc/28/59/72/309285972.db2.gz NVQKOGHSQUJXBT-AZUAARDMSA-N 2 2 328.431 3.159 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCOCc2ccccc2)C[C@H]1c1ccccc1F ZINC000420389193 309285973 /nfs/dbraw/zinc/28/59/73/309285973.db2.gz NVQKOGHSQUJXBT-AZUAARDMSA-N 2 2 328.431 3.159 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@@H](C)C1 ZINC000420915710 309300796 /nfs/dbraw/zinc/30/07/96/309300796.db2.gz FWBIGROIICOZFT-NQIIRXRSSA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@@H](C)C1 ZINC000420915710 309300797 /nfs/dbraw/zinc/30/07/97/309300797.db2.gz FWBIGROIICOZFT-NQIIRXRSSA-N 2 2 346.515 3.156 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420933322 309302167 /nfs/dbraw/zinc/30/21/67/309302167.db2.gz HWZPQWCZCCDJFS-QGZVFWFLSA-N 2 2 331.485 3.216 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420937349 309302492 /nfs/dbraw/zinc/30/24/92/309302492.db2.gz LFZYNVOIQGQADM-INIZCTEOSA-N 2 2 345.512 3.211 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420937349 309302493 /nfs/dbraw/zinc/30/24/93/309302493.db2.gz LFZYNVOIQGQADM-INIZCTEOSA-N 2 2 345.512 3.211 20 0 EGADLP CC(C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420942942 309303031 /nfs/dbraw/zinc/30/30/31/309303031.db2.gz VXGBEWAEZSGRQP-UHFFFAOYSA-N 2 2 331.485 3.000 20 0 EGADLP CC[C@@](C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420945218 309303318 /nfs/dbraw/zinc/30/33/18/309303318.db2.gz YREFCYUZBZQDMC-LJQANCHMSA-N 2 2 345.512 3.390 20 0 EGADLP C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420953404 309303763 /nfs/dbraw/zinc/30/37/63/309303763.db2.gz VBSJUSHKSBGUHL-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420953404 309303764 /nfs/dbraw/zinc/30/37/64/309303764.db2.gz VBSJUSHKSBGUHL-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[C@H]2O1 ZINC000420961853 309304706 /nfs/dbraw/zinc/30/47/06/309304706.db2.gz JPOSXIJJBLPSII-WOJBJXKFSA-N 2 2 344.499 3.051 20 0 EGADLP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[C@H]2O1 ZINC000420961853 309304707 /nfs/dbraw/zinc/30/47/07/309304707.db2.gz JPOSXIJJBLPSII-WOJBJXKFSA-N 2 2 344.499 3.051 20 0 EGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398610 309322821 /nfs/dbraw/zinc/32/28/21/309322821.db2.gz GSONLXJLZAQKGO-WSTZPKSXSA-N 2 2 346.515 3.071 20 0 EGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398610 309322822 /nfs/dbraw/zinc/32/28/22/309322822.db2.gz GSONLXJLZAQKGO-WSTZPKSXSA-N 2 2 346.515 3.071 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421826742 309341839 /nfs/dbraw/zinc/34/18/39/309341839.db2.gz UPFIJUJBUYOITE-ZDUSSCGKSA-N 2 2 326.868 3.110 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1Cl ZINC000421831275 309342197 /nfs/dbraw/zinc/34/21/97/309342197.db2.gz DRDBPHFVKLHQEF-UKRRQHHQSA-N 2 2 345.878 3.443 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccco1 ZINC000422200795 309357742 /nfs/dbraw/zinc/35/77/42/309357742.db2.gz KDXWAPAOAPRGPW-GUYCJALGSA-N 2 2 344.459 3.220 20 0 EGADLP [NH3+][C@H]1CCCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000422685030 309363448 /nfs/dbraw/zinc/36/34/48/309363448.db2.gz GBSSVNMYWUSJIQ-INIZCTEOSA-N 2 2 340.471 3.034 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422722777 309365053 /nfs/dbraw/zinc/36/50/53/309365053.db2.gz PRYHUQKRJIYNAN-LLVKDONJSA-N 2 2 328.441 3.416 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422726402 309365412 /nfs/dbraw/zinc/36/54/12/309365412.db2.gz ZTEKRNLRDHBYIR-PMACEKPBSA-N 2 2 325.456 3.281 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1c(F)cccc1F ZINC000422748079 309366445 /nfs/dbraw/zinc/36/64/45/309366445.db2.gz RVCCHNNNMRRQPV-RCCFBDPRSA-N 2 2 331.410 3.302 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422779083 309367931 /nfs/dbraw/zinc/36/79/31/309367931.db2.gz ILMOJZIDDRFQDF-JSGCOSHPSA-N 2 2 347.286 3.119 20 0 EGADLP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422793606 309368714 /nfs/dbraw/zinc/36/87/14/309368714.db2.gz XBRJGBGLAKWCOU-HNAYVOBHSA-N 2 2 335.923 3.425 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)s2)cc1 ZINC000422822457 309370452 /nfs/dbraw/zinc/37/04/52/309370452.db2.gz KCICYKVIJNDXBM-GDBMZVCRSA-N 2 2 346.496 3.280 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838545 309371100 /nfs/dbraw/zinc/37/11/00/309371100.db2.gz OSHPXQSIDIUBKS-PZJWPPBQSA-N 3 2 327.516 3.476 20 0 EGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422845020 309371673 /nfs/dbraw/zinc/37/16/73/309371673.db2.gz ARTWSPXORWYVMC-MAUKXSAKSA-N 2 2 329.513 3.406 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422851861 309372134 /nfs/dbraw/zinc/37/21/34/309372134.db2.gz XLHYGTVGLCNMGZ-GJZGRUSLSA-N 2 2 338.442 3.133 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000422905732 309375623 /nfs/dbraw/zinc/37/56/23/309375623.db2.gz SOPLXQQCTAVYHQ-CYBMUJFWSA-N 3 2 339.418 3.024 20 0 EGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422916437 309375993 /nfs/dbraw/zinc/37/59/93/309375993.db2.gz AOOIGZLHVGGIQM-KCPJHIHWSA-N 2 2 328.378 3.437 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921949 309376146 /nfs/dbraw/zinc/37/61/46/309376146.db2.gz RHYMYRUKEUZEEC-BLLLJJGKSA-N 2 2 338.373 3.475 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422924500 309376335 /nfs/dbraw/zinc/37/63/35/309376335.db2.gz YQFLKVJNKPCRLL-HNNXBMFYSA-N 2 2 325.460 3.407 20 0 EGADLP C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000422972979 309378976 /nfs/dbraw/zinc/37/89/76/309378976.db2.gz NHUBMTJDPPUSFD-VQIMIIECSA-N 2 2 325.456 3.281 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423024505 309381520 /nfs/dbraw/zinc/38/15/20/309381520.db2.gz LTSMKEHRLPXFQC-XNJGSVPQSA-N 2 2 325.859 3.178 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423059044 309383780 /nfs/dbraw/zinc/38/37/80/309383780.db2.gz KTWWGYIPCUDRBU-IOASZLSFSA-N 2 2 330.394 3.166 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)c2ccccc21 ZINC000423102237 309385880 /nfs/dbraw/zinc/38/58/80/309385880.db2.gz OJJRLONALSYDRO-GJZGRUSLSA-N 2 2 337.345 3.257 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423139705 309387956 /nfs/dbraw/zinc/38/79/56/309387956.db2.gz WLEBEYCPBMQIMD-KBMXLJTQSA-N 2 2 330.394 3.079 20 0 EGADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1OC ZINC000423234498 309391799 /nfs/dbraw/zinc/39/17/99/309391799.db2.gz PRTXQGVWOCFWPE-QGZVFWFLSA-N 2 2 326.444 3.063 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423240434 309391959 /nfs/dbraw/zinc/39/19/59/309391959.db2.gz TZHONWJTLSFVOY-XIRDDKMYSA-N 2 2 336.451 3.176 20 0 EGADLP [NH3+][C@@H](C[NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000423247235 309392169 /nfs/dbraw/zinc/39/21/69/309392169.db2.gz QJNSGKUDMIGNAY-SFHVURJKSA-N 2 2 331.410 3.223 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423267746 309393109 /nfs/dbraw/zinc/39/31/09/309393109.db2.gz FTYHORHKMCXARJ-KDOFPFPSSA-N 2 2 338.517 3.037 20 0 EGADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423277489 309393741 /nfs/dbraw/zinc/39/37/41/309393741.db2.gz OFYAYOARAREOEF-CHWSQXEVSA-N 2 2 327.291 3.313 20 0 EGADLP Fc1cccc([C@H]([NH2+]CC2C[NH2+]C2)c2cccc(Br)c2)c1 ZINC000423304509 309394706 /nfs/dbraw/zinc/39/47/06/309394706.db2.gz OFCBAEWCUIWRQF-QGZVFWFLSA-N 2 2 349.247 3.487 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423327243 309395345 /nfs/dbraw/zinc/39/53/45/309395345.db2.gz JWTBUPUBMLVJPO-HOTGVXAUSA-N 2 2 330.394 3.167 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423344794 309396269 /nfs/dbraw/zinc/39/62/69/309396269.db2.gz YCCLKVBSDONAFX-ACJLOTCBSA-N 2 2 347.894 3.269 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000423364748 309397119 /nfs/dbraw/zinc/39/71/19/309397119.db2.gz JWPHOQBXBVGUIB-VRHCTWJESA-N 2 2 346.425 3.168 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000423373426 309397534 /nfs/dbraw/zinc/39/75/34/309397534.db2.gz BUIXUZCNHHWWMU-OCCSQVGLSA-N 2 2 325.522 3.069 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423411913 309399147 /nfs/dbraw/zinc/39/91/47/309399147.db2.gz GNZUXVGDTVAMKA-CVEARBPZSA-N 2 2 346.393 3.395 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423417357 309399547 /nfs/dbraw/zinc/39/95/47/309399547.db2.gz GXKMPXRRIQJBBV-RDJZCZTQSA-N 2 2 326.868 3.158 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CCC[NH2+]1 ZINC000423420277 309399614 /nfs/dbraw/zinc/39/96/14/309399614.db2.gz JEKGSIBUGCAYRQ-GOEBONIOSA-N 2 2 329.271 3.339 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CCC[NH2+]1 ZINC000423422345 309399631 /nfs/dbraw/zinc/39/96/31/309399631.db2.gz KLCLVOQGVAUEHC-LIRRHRJNSA-N 2 2 332.444 3.169 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423464697 309401155 /nfs/dbraw/zinc/40/11/55/309401155.db2.gz GXTMUMKKSQFYFJ-QILLFSRXSA-N 2 2 330.451 3.086 20 0 EGADLP Clc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492435 309402769 /nfs/dbraw/zinc/40/27/69/309402769.db2.gz NAYCOVVVTIKTCV-RTBURBONSA-N 2 2 330.859 3.398 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423530568 309405003 /nfs/dbraw/zinc/40/50/03/309405003.db2.gz PRPPWGVFAOZOIE-ORYQWCPZSA-N 2 2 349.478 3.220 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2[nH+]c1C(C)(C)C ZINC000423810460 309414072 /nfs/dbraw/zinc/41/40/72/309414072.db2.gz MMHYGGRUQNSRFX-AWEZNQCLSA-N 2 2 340.471 3.199 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000423932020 309420868 /nfs/dbraw/zinc/42/08/68/309420868.db2.gz NHBABOFUVVYXKS-HNNXBMFYSA-N 2 2 328.460 3.067 20 0 EGADLP FC(F)n1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000435057343 309725242 /nfs/dbraw/zinc/72/52/42/309725242.db2.gz BMPDOHXDHOWDQA-UHFFFAOYSA-N 2 2 335.402 3.191 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000435377074 309730414 /nfs/dbraw/zinc/73/04/14/309730414.db2.gz XUPWYNKQSSJIQW-UHFFFAOYSA-N 2 2 347.466 3.118 20 0 EGADLP Cn1cc[nH+]c1CN(Cc1ccccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427314 309732658 /nfs/dbraw/zinc/73/26/58/309732658.db2.gz MGLKWFZRSZMLGQ-QGZVFWFLSA-N 2 2 344.890 3.218 20 0 EGADLP Cn1c(N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[nH+]c2cccc(F)c21 ZINC000443512780 309902292 /nfs/dbraw/zinc/90/22/92/309902292.db2.gz XDGQNSAJRJGGJU-LBPRGKRZSA-N 2 2 341.434 3.055 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449059553 310033756 /nfs/dbraw/zinc/03/37/56/310033756.db2.gz QEJGJKOYQOBPKF-UUKMXZOPSA-N 2 2 338.536 3.203 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449059553 310033757 /nfs/dbraw/zinc/03/37/57/310033757.db2.gz QEJGJKOYQOBPKF-UUKMXZOPSA-N 2 2 338.536 3.203 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224710 310045983 /nfs/dbraw/zinc/04/59/83/310045983.db2.gz IPVMVANEYINLHN-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224710 310045984 /nfs/dbraw/zinc/04/59/84/310045984.db2.gz IPVMVANEYINLHN-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224710 310045985 /nfs/dbraw/zinc/04/59/85/310045985.db2.gz IPVMVANEYINLHN-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224710 310045986 /nfs/dbraw/zinc/04/59/86/310045986.db2.gz IPVMVANEYINLHN-CXAGYDPISA-N 2 2 331.460 3.475 20 0 EGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000449323783 310053634 /nfs/dbraw/zinc/05/36/34/310053634.db2.gz XAXWXEISKCACLE-MJIXASBWSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000449323783 310053635 /nfs/dbraw/zinc/05/36/35/310053635.db2.gz XAXWXEISKCACLE-MJIXASBWSA-N 2 2 349.563 3.265 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398905 310058844 /nfs/dbraw/zinc/05/88/44/310058844.db2.gz WWLCKGPGSPRAMS-HOCLYGCPSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398905 310058845 /nfs/dbraw/zinc/05/88/45/310058845.db2.gz WWLCKGPGSPRAMS-HOCLYGCPSA-N 2 2 344.421 3.073 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000449481857 310065624 /nfs/dbraw/zinc/06/56/24/310065624.db2.gz WEGPRQVKURLVDA-XYJFISCASA-N 2 2 344.890 3.074 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000449481857 310065625 /nfs/dbraw/zinc/06/56/25/310065625.db2.gz WEGPRQVKURLVDA-XYJFISCASA-N 2 2 344.890 3.074 20 0 EGADLP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449519646 310068799 /nfs/dbraw/zinc/06/87/99/310068799.db2.gz CDSURXAZSMYTOA-YLJYHZDGSA-N 2 2 329.488 3.388 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449581362 310073714 /nfs/dbraw/zinc/07/37/14/310073714.db2.gz ZJUAQTUPWQNNDO-KANFNMMFSA-N 2 2 330.472 3.143 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449581362 310073715 /nfs/dbraw/zinc/07/37/15/310073715.db2.gz ZJUAQTUPWQNNDO-KANFNMMFSA-N 2 2 330.472 3.143 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c[nH+]1 ZINC000449645322 310077248 /nfs/dbraw/zinc/07/72/48/310077248.db2.gz JQCRKFYQDDIRNO-IAGOWNOFSA-N 2 2 337.467 3.279 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449646245 310077284 /nfs/dbraw/zinc/07/72/84/310077284.db2.gz MUKKNJMFERXRTF-SJORKVTESA-N 2 2 337.467 3.279 20 0 EGADLP COc1cccnc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449747323 310084164 /nfs/dbraw/zinc/08/41/64/310084164.db2.gz IVDBNDQDNLMJKZ-SJLPKXTDSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449747323 310084165 /nfs/dbraw/zinc/08/41/65/310084165.db2.gz IVDBNDQDNLMJKZ-SJLPKXTDSA-N 2 2 325.456 3.090 20 0 EGADLP C[N@H+](C/C=C/c1ccncc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785712 310087339 /nfs/dbraw/zinc/08/73/39/310087339.db2.gz IMSQRQWGXWPHLC-NSCUHMNNSA-N 2 2 327.394 3.443 20 0 EGADLP C[N@@H+](C/C=C/c1ccncc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785712 310087340 /nfs/dbraw/zinc/08/73/40/310087340.db2.gz IMSQRQWGXWPHLC-NSCUHMNNSA-N 2 2 327.394 3.443 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000450469984 310124544 /nfs/dbraw/zinc/12/45/44/310124544.db2.gz SFZBOEAODBQBKD-UHFFFAOYSA-N 2 2 338.879 3.433 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC000450469984 310124545 /nfs/dbraw/zinc/12/45/45/310124545.db2.gz SFZBOEAODBQBKD-UHFFFAOYSA-N 2 2 338.879 3.433 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000450498997 310126714 /nfs/dbraw/zinc/12/67/14/310126714.db2.gz INSGCKZIEFMMKU-HNNXBMFYSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1Cl ZINC000450498997 310126715 /nfs/dbraw/zinc/12/67/15/310126715.db2.gz INSGCKZIEFMMKU-HNNXBMFYSA-N 2 2 346.814 3.175 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC000452362965 310224734 /nfs/dbraw/zinc/22/47/34/310224734.db2.gz ZXKBLKDDJYYJKL-UHFFFAOYSA-N 2 2 340.471 3.360 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccncn1 ZINC000453089990 310257222 /nfs/dbraw/zinc/25/72/22/310257222.db2.gz PLVDNDCZKYWKKG-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccncn1 ZINC000453089989 310257274 /nfs/dbraw/zinc/25/72/74/310257274.db2.gz PLVDNDCZKYWKKG-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264804 310268001 /nfs/dbraw/zinc/26/80/01/310268001.db2.gz MYSZJIXDGITPCR-SJLPKXTDSA-N 2 2 334.504 3.361 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264804 310268002 /nfs/dbraw/zinc/26/80/02/310268002.db2.gz MYSZJIXDGITPCR-SJLPKXTDSA-N 2 2 334.504 3.361 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453313311 310270561 /nfs/dbraw/zinc/27/05/61/310270561.db2.gz WHKZVVXXRPBSOV-GHTZIAJQSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453313311 310270562 /nfs/dbraw/zinc/27/05/62/310270562.db2.gz WHKZVVXXRPBSOV-GHTZIAJQSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cc(Br)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000453581511 310282757 /nfs/dbraw/zinc/28/27/57/310282757.db2.gz CUHHHESFBARDHU-SNVBAGLBSA-N 2 2 328.279 3.441 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCOCC3CCCC3)sc2C1 ZINC000453586671 310282978 /nfs/dbraw/zinc/28/29/78/310282978.db2.gz QUCDJYMVKFNRFB-UHFFFAOYSA-N 2 2 337.533 3.206 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCOCC3CCCC3)sc2C1 ZINC000453586671 310282979 /nfs/dbraw/zinc/28/29/79/310282979.db2.gz QUCDJYMVKFNRFB-UHFFFAOYSA-N 2 2 337.533 3.206 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000454339190 310304385 /nfs/dbraw/zinc/30/43/85/310304385.db2.gz XMLPKHJNLTZBGC-OAHLLOKOSA-N 2 2 332.492 3.010 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000454339190 310304386 /nfs/dbraw/zinc/30/43/86/310304386.db2.gz XMLPKHJNLTZBGC-OAHLLOKOSA-N 2 2 332.492 3.010 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000463120534 310609332 /nfs/dbraw/zinc/60/93/32/310609332.db2.gz QMOJRFPVYPVTLM-UHFFFAOYSA-N 2 2 326.406 3.408 20 0 EGADLP Cc1cccn2c(CNc3[nH+]c4cccc(Cl)c4n3C)c[nH+]c12 ZINC000466641244 310656096 /nfs/dbraw/zinc/65/60/96/310656096.db2.gz ROPOYFBOKDSICU-UHFFFAOYSA-N 2 2 325.803 3.217 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000479080045 310868567 /nfs/dbraw/zinc/86/85/67/310868567.db2.gz NEIQQMIVQXZKMP-APWZRJJASA-N 2 2 340.458 3.344 20 0 EGADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@H]3CCSC3)CCCC2)no1 ZINC000487300661 311019579 /nfs/dbraw/zinc/01/95/79/311019579.db2.gz ODDUWTPDGCSJPG-AWEZNQCLSA-N 2 2 338.521 3.023 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524728 311027258 /nfs/dbraw/zinc/02/72/58/311027258.db2.gz STJXHIYGHNKWQZ-KBXCAEBGSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524728 311027260 /nfs/dbraw/zinc/02/72/60/311027260.db2.gz STJXHIYGHNKWQZ-KBXCAEBGSA-N 2 2 338.455 3.023 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)c1 ZINC000488315648 311060282 /nfs/dbraw/zinc/06/02/82/311060282.db2.gz PAJDEQLHVGAUIT-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000490308347 311138478 /nfs/dbraw/zinc/13/84/78/311138478.db2.gz OVPWVSUHLDMYKQ-SJORKVTESA-N 2 2 328.500 3.421 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000490308347 311138479 /nfs/dbraw/zinc/13/84/79/311138479.db2.gz OVPWVSUHLDMYKQ-SJORKVTESA-N 2 2 328.500 3.421 20 0 EGADLP C[C@H]1C[C@H](CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696995 311149408 /nfs/dbraw/zinc/14/94/08/311149408.db2.gz KLYGAIRGQMGVFU-TXVWBRJLSA-N 2 2 335.580 3.407 20 0 EGADLP C[C@H]1C[C@H](CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)C1 ZINC000490696995 311149410 /nfs/dbraw/zinc/14/94/10/311149410.db2.gz KLYGAIRGQMGVFU-TXVWBRJLSA-N 2 2 335.580 3.407 20 0 EGADLP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000492456854 311253262 /nfs/dbraw/zinc/25/32/62/311253262.db2.gz MQWPCKFAIBMKCA-SJLPKXTDSA-N 2 2 333.476 3.169 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000492537762 311263191 /nfs/dbraw/zinc/26/31/91/311263191.db2.gz RHJUOSZZKKZKBC-CMDGGOBGSA-N 2 2 338.455 3.459 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000492797278 311292120 /nfs/dbraw/zinc/29/21/20/311292120.db2.gz YADWKNBNXKNDRV-ARFHVFGLSA-N 2 2 348.491 3.014 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000492855682 311299366 /nfs/dbraw/zinc/29/93/66/311299366.db2.gz AOXALZMTADSSLW-DKBRWSJVSA-N 2 2 338.455 3.107 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000492855682 311299368 /nfs/dbraw/zinc/29/93/68/311299368.db2.gz AOXALZMTADSSLW-DKBRWSJVSA-N 2 2 338.455 3.107 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493527404 311390420 /nfs/dbraw/zinc/39/04/20/311390420.db2.gz RZGOUGKBUVJLHM-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493527404 311390422 /nfs/dbraw/zinc/39/04/22/311390422.db2.gz RZGOUGKBUVJLHM-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP CC1CC[NH+](CCN2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000493572399 311397024 /nfs/dbraw/zinc/39/70/24/311397024.db2.gz KWGKFFRWHVQBMC-UHFFFAOYSA-N 2 2 335.923 3.190 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000493936038 311446316 /nfs/dbraw/zinc/44/63/16/311446316.db2.gz JUQVAWFPMUMZQX-VVWQDTPRSA-N 2 2 343.515 3.433 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)c1 ZINC000510532752 312143001 /nfs/dbraw/zinc/14/30/01/312143001.db2.gz HJQQEYGFWYXRKS-UHFFFAOYSA-N 2 2 325.456 3.499 20 0 EGADLP CCS[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510630117 312145130 /nfs/dbraw/zinc/14/51/30/312145130.db2.gz OGYKAEMWLOCIGY-UXHICEINSA-N 2 2 347.572 3.463 20 0 EGADLP CCN1CC[NH+](C[C@H](C)CNc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000514859936 312250174 /nfs/dbraw/zinc/25/01/74/312250174.db2.gz SCGSYZDYDPDENT-QGZVFWFLSA-N 2 2 326.488 3.229 20 0 EGADLP CC[NH+]1CCN(C[C@H](C)CNc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000514859936 312250175 /nfs/dbraw/zinc/25/01/75/312250175.db2.gz SCGSYZDYDPDENT-QGZVFWFLSA-N 2 2 326.488 3.229 20 0 EGADLP Cc1ccc([C@H](C[NH2+]CCC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000514933762 312254595 /nfs/dbraw/zinc/25/45/95/312254595.db2.gz XQYTVXRGOMESEE-IBGZPJMESA-N 2 2 325.456 3.216 20 0 EGADLP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000515195394 312270540 /nfs/dbraw/zinc/27/05/40/312270540.db2.gz HKZNWPSPXPYDQV-IBGZPJMESA-N 2 2 336.439 3.357 20 0 EGADLP CC[NH+](CC)[C@H](CNCc1[nH]c(C)c(C)[nH+]1)c1cccc(OC)c1 ZINC000515673294 312294148 /nfs/dbraw/zinc/29/41/48/312294148.db2.gz TZWXOPBDABTTEK-GOSISDBHSA-N 2 2 330.476 3.208 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000524684834 312671204 /nfs/dbraw/zinc/67/12/04/312671204.db2.gz QLEVEJHJRIDDKQ-AWEZNQCLSA-N 2 2 345.878 3.079 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cn1 ZINC000526992688 312813899 /nfs/dbraw/zinc/81/38/99/312813899.db2.gz NOVYOOKLWPXOHK-LBPRGKRZSA-N 2 2 338.293 3.369 20 0 EGADLP c1nn(-c2ccccc2)cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129676 313954439 /nfs/dbraw/zinc/95/44/39/313954439.db2.gz YQUYAIOUXJHFHH-UHFFFAOYSA-N 2 2 333.439 3.344 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000535313240 314040312 /nfs/dbraw/zinc/04/03/12/314040312.db2.gz HWKMNXNHZWZRBO-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000535313240 314040313 /nfs/dbraw/zinc/04/03/13/314040313.db2.gz HWKMNXNHZWZRBO-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C)c[nH+]1 ZINC000535773439 314072218 /nfs/dbraw/zinc/07/22/18/314072218.db2.gz PWXKQWXUFIXBSR-QGZVFWFLSA-N 2 2 346.862 3.198 20 0 EGADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536367404 314108439 /nfs/dbraw/zinc/10/84/39/314108439.db2.gz AVFBUTGCKNWNDA-BBWFWOEESA-N 2 2 344.503 3.136 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000536840257 314149171 /nfs/dbraw/zinc/14/91/71/314149171.db2.gz QYNDRVKJOTZNLK-JXFKEZNVSA-N 2 2 331.504 3.402 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536994339 314155941 /nfs/dbraw/zinc/15/59/41/314155941.db2.gz RLRSTZUVHJBQNG-HBUMBIOYSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536994339 314155945 /nfs/dbraw/zinc/15/59/45/314155945.db2.gz RLRSTZUVHJBQNG-HBUMBIOYSA-N 2 2 338.854 3.381 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000538192822 314231807 /nfs/dbraw/zinc/23/18/07/314231807.db2.gz GPAKRBYKFPZDLI-MRXNPFEDSA-N 2 2 330.394 3.203 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000548793061 315048187 /nfs/dbraw/zinc/04/81/87/315048187.db2.gz VCBHKIKRJNRTSL-INIZCTEOSA-N 2 2 331.460 3.210 20 0 EGADLP Cc1ccccc1C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000551542012 315157949 /nfs/dbraw/zinc/15/79/49/315157949.db2.gz UWXITSSJTHXDOJ-OPYAIIAOSA-N 2 2 330.516 3.405 20 0 EGADLP C([NH2+][C@H]1CCC12CCOCC2)C1([NH+]2CCSCC2)CCCCC1 ZINC000554561128 315332965 /nfs/dbraw/zinc/33/29/65/315332965.db2.gz XECMIPTXMUVWPR-KRWDZBQOSA-N 2 2 338.561 3.287 20 0 EGADLP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000554599139 315336877 /nfs/dbraw/zinc/33/68/77/315336877.db2.gz FBSHBMNRLWRYNC-KRWDZBQOSA-N 2 2 342.487 3.068 20 0 EGADLP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000554599139 315336880 /nfs/dbraw/zinc/33/68/80/315336880.db2.gz FBSHBMNRLWRYNC-KRWDZBQOSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)ccn12 ZINC000563385269 316012584 /nfs/dbraw/zinc/01/25/84/316012584.db2.gz TWIVAVURMHLBHM-IBGZPJMESA-N 2 2 348.450 3.037 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)ccn12 ZINC000563385269 316012587 /nfs/dbraw/zinc/01/25/87/316012587.db2.gz TWIVAVURMHLBHM-IBGZPJMESA-N 2 2 348.450 3.037 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000563453736 316024382 /nfs/dbraw/zinc/02/43/82/316024382.db2.gz RULRPJUDQCVFIR-UKRRQHHQSA-N 2 2 326.400 3.136 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008863 316101714 /nfs/dbraw/zinc/10/17/14/316101714.db2.gz RJCVJHABGHOLLW-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008863 316101717 /nfs/dbraw/zinc/10/17/17/316101717.db2.gz RJCVJHABGHOLLW-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008863 316101719 /nfs/dbraw/zinc/10/17/19/316101719.db2.gz RJCVJHABGHOLLW-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008863 316101724 /nfs/dbraw/zinc/10/17/24/316101724.db2.gz RJCVJHABGHOLLW-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000564434674 316151704 /nfs/dbraw/zinc/15/17/04/316151704.db2.gz LHFOUCWLTYONAZ-PCCBWWKXSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000564434674 316151708 /nfs/dbraw/zinc/15/17/08/316151708.db2.gz LHFOUCWLTYONAZ-PCCBWWKXSA-N 2 2 344.499 3.351 20 0 EGADLP CC1(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]CC1 ZINC000564785264 316205351 /nfs/dbraw/zinc/20/53/51/316205351.db2.gz TWMDJBDESPDDQD-UHFFFAOYSA-N 2 2 326.400 3.138 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])ccc2n1C1CC1 ZINC000564937739 316235255 /nfs/dbraw/zinc/23/52/55/316235255.db2.gz PBFPCQNNOUAXPN-NVXWUHKLSA-N 2 2 340.471 3.203 20 0 EGADLP CC(C)c1[nH+]c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c2ccccn21 ZINC000565080976 316261770 /nfs/dbraw/zinc/26/17/70/316261770.db2.gz IBGDZTPXQYEUSD-IAGOWNOFSA-N 2 2 331.485 3.164 20 0 EGADLP CC(C)c1[nH+]c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c2ccccn21 ZINC000565080976 316261772 /nfs/dbraw/zinc/26/17/72/316261772.db2.gz IBGDZTPXQYEUSD-IAGOWNOFSA-N 2 2 331.485 3.164 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)c2ccccn21 ZINC000565081302 316262306 /nfs/dbraw/zinc/26/23/06/316262306.db2.gz UTCUBTMNODCBRD-QGZVFWFLSA-N 2 2 348.450 3.353 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)c1 ZINC000565140751 316274189 /nfs/dbraw/zinc/27/41/89/316274189.db2.gz PJDKSXBAODCAEF-NSCUHMNNSA-N 2 2 345.393 3.204 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000565238728 316296927 /nfs/dbraw/zinc/29/69/27/316296927.db2.gz RJWIPRLSVKTJIJ-AWEZNQCLSA-N 2 2 347.768 3.224 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)n1C ZINC000565239585 316297016 /nfs/dbraw/zinc/29/70/16/316297016.db2.gz XHMXRXPNPXJMRF-OAHLLOKOSA-N 2 2 335.249 3.127 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)n1C ZINC000565239583 316297237 /nfs/dbraw/zinc/29/72/37/316297237.db2.gz XHMXRXPNPXJMRF-HNNXBMFYSA-N 2 2 335.249 3.127 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565849680 316378920 /nfs/dbraw/zinc/37/89/20/316378920.db2.gz VGPHLLNSOLBKGV-OAGGEKHMSA-N 2 2 340.458 3.375 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565849680 316378923 /nfs/dbraw/zinc/37/89/23/316378923.db2.gz VGPHLLNSOLBKGV-OAGGEKHMSA-N 2 2 340.458 3.375 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)n2)c1 ZINC000566088962 316414150 /nfs/dbraw/zinc/41/41/50/316414150.db2.gz VRPFUTYJDDYARQ-PMPSAXMXSA-N 2 2 342.491 3.137 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCCc4occc43)c2cc1C ZINC000568954215 316844640 /nfs/dbraw/zinc/84/46/40/316844640.db2.gz BNGSRURGZBMIOW-RDJZCZTQSA-N 2 2 339.439 3.274 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000570155905 317014880 /nfs/dbraw/zinc/01/48/80/317014880.db2.gz TYKSFHVGKDHEBU-MRXNPFEDSA-N 2 2 338.373 3.145 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc21 ZINC000570442111 317055801 /nfs/dbraw/zinc/05/58/01/317055801.db2.gz OLBSMVCOTFRUHK-VUCTXSBTSA-N 2 2 341.842 3.180 20 0 EGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000571156541 317158600 /nfs/dbraw/zinc/15/86/00/317158600.db2.gz SOJWAZABTQQESJ-OALUTQOASA-N 2 2 325.456 3.410 20 0 EGADLP C[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896086 317263300 /nfs/dbraw/zinc/26/33/00/317263300.db2.gz YMZDIIZRLAWFOW-HNAYVOBHSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896086 317263304 /nfs/dbraw/zinc/26/33/04/317263304.db2.gz YMZDIIZRLAWFOW-HNAYVOBHSA-N 2 2 338.442 3.255 20 0 EGADLP Cc1[nH+]c2cc(NCc3cccc4[nH+]ccn43)ccc2n1[C@@H](C)CO ZINC000571898189 317264086 /nfs/dbraw/zinc/26/40/86/317264086.db2.gz PIHLOCHXFARDLO-ZDUSSCGKSA-N 2 2 335.411 3.158 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000573200349 317451203 /nfs/dbraw/zinc/45/12/03/317451203.db2.gz LTUXBOQFWURWLH-FOIQADDNSA-N 2 2 343.446 3.435 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)Cc1ccc3ccccc3c1)CCC2 ZINC000574071095 317558541 /nfs/dbraw/zinc/55/85/41/317558541.db2.gz CHQIIOVAKQOSJR-SFTDATJTSA-N 2 2 349.478 3.415 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286357383 456031993 /nfs/dbraw/zinc/03/19/93/456031993.db2.gz FUXUKEHXDWHANX-BBRMVZONSA-N 2 2 326.843 3.098 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286357383 456031998 /nfs/dbraw/zinc/03/19/98/456031998.db2.gz FUXUKEHXDWHANX-BBRMVZONSA-N 2 2 326.843 3.098 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc([S@](C)=O)cc1 ZINC000177806808 323345843 /nfs/dbraw/zinc/34/58/43/323345843.db2.gz XPCCHLIARVNFHR-MYYSRTQBSA-N 2 2 339.464 3.461 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccoc3)cc2)CC1 ZINC000178132973 323351732 /nfs/dbraw/zinc/35/17/32/323351732.db2.gz WXQNOBLPFOHKPZ-QGZVFWFLSA-N 2 2 327.472 3.268 20 0 EGADLP CC1(C)[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)[C@@H]2CCCO[C@@H]21 ZINC000181488732 323486919 /nfs/dbraw/zinc/48/69/19/323486919.db2.gz USIGGNBNMRUOLS-BBWFWOEESA-N 2 2 338.561 3.141 20 0 EGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559168 323560835 /nfs/dbraw/zinc/56/08/35/323560835.db2.gz WYYUMZNMTVZIDF-MRXNPFEDSA-N 2 2 334.423 3.486 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000382067421 324249012 /nfs/dbraw/zinc/24/90/12/324249012.db2.gz RGJHMHFDBJYNHD-MRXNPFEDSA-N 2 2 327.513 3.001 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)ccn12 ZINC000576647388 324655761 /nfs/dbraw/zinc/65/57/61/324655761.db2.gz CNHYEQBUUVCYNX-DNVCBOLYSA-N 2 2 336.439 3.064 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(C)c[nH+]1 ZINC000577406199 324802326 /nfs/dbraw/zinc/80/23/26/324802326.db2.gz VYICGRBIEMBAQD-VQIMIIECSA-N 2 2 340.471 3.242 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2ccc(C)nc2)[C@H]2CCC[NH2+]2)cc1 ZINC000578314063 324950549 /nfs/dbraw/zinc/95/05/49/324950549.db2.gz XBBOFXFTVICYEV-UXHICEINSA-N 2 2 325.456 3.024 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](C)CC(F)(F)F)c2cc1C ZINC000578641029 324998032 /nfs/dbraw/zinc/99/80/32/324998032.db2.gz HJNUFIJSRMPVIJ-BXUZGUMPSA-N 2 2 343.393 3.192 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000578903682 325035156 /nfs/dbraw/zinc/03/51/56/325035156.db2.gz RWAYEEMZWRAJFH-GWCFXTLKSA-N 2 2 329.307 3.483 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000578903682 325035160 /nfs/dbraw/zinc/03/51/60/325035160.db2.gz RWAYEEMZWRAJFH-GWCFXTLKSA-N 2 2 329.307 3.483 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccco1 ZINC000579001196 325048903 /nfs/dbraw/zinc/04/89/03/325048903.db2.gz IIPHJOVSHNOMIE-INIZCTEOSA-N 2 2 340.427 3.049 20 0 EGADLP C[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+]1CC(C)C1 ZINC000579851331 325168127 /nfs/dbraw/zinc/16/81/27/325168127.db2.gz NQNMVWMQCDQBFB-OAHLLOKOSA-N 2 2 338.455 3.165 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000580312607 325233329 /nfs/dbraw/zinc/23/33/29/325233329.db2.gz CSJLUIZOZDQZQJ-DYVFJYSZSA-N 2 2 329.488 3.345 20 0 EGADLP CC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000580445555 325251976 /nfs/dbraw/zinc/25/19/76/325251976.db2.gz HSUFTTIKVJDRPE-HNNXBMFYSA-N 2 2 338.411 3.200 20 0 EGADLP CC(=O)c1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000580445555 325251978 /nfs/dbraw/zinc/25/19/78/325251978.db2.gz HSUFTTIKVJDRPE-HNNXBMFYSA-N 2 2 338.411 3.200 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000581423453 325359952 /nfs/dbraw/zinc/35/99/52/325359952.db2.gz PRDOBGCILZIVEQ-CEXWTWQISA-N 2 2 336.414 3.383 20 0 EGADLP Cc1ccc2cc[nH+]c(NCc3cccnc3N3CC[NH+](C)CC3)c2c1 ZINC000581604674 325375894 /nfs/dbraw/zinc/37/58/94/325375894.db2.gz RKPTWHGUHDXJPP-UHFFFAOYSA-N 2 2 347.466 3.302 20 0 EGADLP [NH3+][C@H]1C[C@@H](NCc2[nH+]ccn2CCc2ccccc2)c2ccccc21 ZINC000581661136 325380311 /nfs/dbraw/zinc/38/03/11/325380311.db2.gz OMNGEUWGSWXMPT-VQTJNVASSA-N 2 2 332.451 3.360 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000339320041 457053908 /nfs/dbraw/zinc/05/39/08/457053908.db2.gz HKWWAWCSLLZSQE-CQSZACIVSA-N 2 2 327.563 3.464 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000339320041 457053914 /nfs/dbraw/zinc/05/39/14/457053914.db2.gz HKWWAWCSLLZSQE-CQSZACIVSA-N 2 2 327.563 3.464 20 0 EGADLP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661415 455221468 /nfs/dbraw/zinc/22/14/68/455221468.db2.gz FGUNDLANQVVXEH-SJORKVTESA-N 2 2 348.450 3.400 20 0 EGADLP C[N@H+](CCNc1cc[nH+]c2c(Br)ccc(F)c12)C1CC1 ZINC000443512060 457773442 /nfs/dbraw/zinc/77/34/42/457773442.db2.gz RUKBCGYUWGOUEQ-UHFFFAOYSA-N 2 2 338.224 3.064 20 0 EGADLP C[N@@H+](CCNc1cc[nH+]c2c(Br)ccc(F)c12)C1CC1 ZINC000443512060 457773449 /nfs/dbraw/zinc/77/34/49/457773449.db2.gz RUKBCGYUWGOUEQ-UHFFFAOYSA-N 2 2 338.224 3.064 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375896 458126966 /nfs/dbraw/zinc/12/69/66/458126966.db2.gz ORCJNOMMOOAZQT-AAEUAGOBSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375896 458126963 /nfs/dbraw/zinc/12/69/63/458126963.db2.gz ORCJNOMMOOAZQT-AAEUAGOBSA-N 2 2 349.276 3.008 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435618227 458174584 /nfs/dbraw/zinc/17/45/84/458174584.db2.gz SBBXSMAELNCBMQ-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984726 459012503 /nfs/dbraw/zinc/01/25/03/459012503.db2.gz URHZPJSLNPPLGD-CHWSQXEVSA-N 2 2 343.284 3.451 20 0 EGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984726 459012511 /nfs/dbraw/zinc/01/25/11/459012511.db2.gz URHZPJSLNPPLGD-CHWSQXEVSA-N 2 2 343.284 3.451 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274168 459061004 /nfs/dbraw/zinc/06/10/04/459061004.db2.gz UYJFZZDBHNXJCA-BZNIZROVSA-N 2 2 341.268 3.203 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)C[NH+]1CCCC1 ZINC000238066760 455251002 /nfs/dbraw/zinc/25/10/02/455251002.db2.gz KNVQGWBWKLXYMO-AWEZNQCLSA-N 2 2 334.847 3.146 20 0 EGADLP O=C(CC1CC[NH2+]CC1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000238154848 455256616 /nfs/dbraw/zinc/25/66/16/455256616.db2.gz HGJLMDKDNSUCGR-UHFFFAOYSA-N 2 2 338.455 3.215 20 0 EGADLP CC1(C)[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000181460690 455337838 /nfs/dbraw/zinc/33/78/38/455337838.db2.gz HLGOMTCRWUIYSW-SXLOBPIMSA-N 2 2 339.483 3.267 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516116 453881114 /nfs/dbraw/zinc/88/11/14/453881114.db2.gz CXRIEDNYRCLSLK-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516116 453881116 /nfs/dbraw/zinc/88/11/16/453881116.db2.gz CXRIEDNYRCLSLK-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516116 453881118 /nfs/dbraw/zinc/88/11/18/453881118.db2.gz CXRIEDNYRCLSLK-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516116 453881121 /nfs/dbraw/zinc/88/11/21/453881121.db2.gz CXRIEDNYRCLSLK-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517021 453881397 /nfs/dbraw/zinc/88/13/97/453881397.db2.gz PYEOVXKKUDJRQQ-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517021 453881401 /nfs/dbraw/zinc/88/14/01/453881401.db2.gz PYEOVXKKUDJRQQ-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517021 453881402 /nfs/dbraw/zinc/88/14/02/453881402.db2.gz PYEOVXKKUDJRQQ-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517021 453881406 /nfs/dbraw/zinc/88/14/06/453881406.db2.gz PYEOVXKKUDJRQQ-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570418 453888748 /nfs/dbraw/zinc/88/87/48/453888748.db2.gz RZUDCRFBEUGKEY-INIZCTEOSA-N 2 2 328.456 3.265 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570418 453888750 /nfs/dbraw/zinc/88/87/50/453888750.db2.gz RZUDCRFBEUGKEY-INIZCTEOSA-N 2 2 328.456 3.265 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570418 453888754 /nfs/dbraw/zinc/88/87/54/453888754.db2.gz RZUDCRFBEUGKEY-INIZCTEOSA-N 2 2 328.456 3.265 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570418 453888757 /nfs/dbraw/zinc/88/87/57/453888757.db2.gz RZUDCRFBEUGKEY-INIZCTEOSA-N 2 2 328.456 3.265 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000081569882 453888950 /nfs/dbraw/zinc/88/89/50/453888950.db2.gz YPECLSXJMDZULE-FHWLQOOXSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000081569882 453888952 /nfs/dbraw/zinc/88/89/52/453888952.db2.gz YPECLSXJMDZULE-FHWLQOOXSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000081569882 453888955 /nfs/dbraw/zinc/88/89/55/453888955.db2.gz YPECLSXJMDZULE-FHWLQOOXSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000081569882 453888956 /nfs/dbraw/zinc/88/89/56/453888956.db2.gz YPECLSXJMDZULE-FHWLQOOXSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000081571818 453889462 /nfs/dbraw/zinc/88/94/62/453889462.db2.gz SBWKAELPFKLOBC-GOSISDBHSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000081571818 453889465 /nfs/dbraw/zinc/88/94/65/453889465.db2.gz SBWKAELPFKLOBC-GOSISDBHSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000081571818 453889468 /nfs/dbraw/zinc/88/94/68/453889468.db2.gz SBWKAELPFKLOBC-GOSISDBHSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000081571818 453889470 /nfs/dbraw/zinc/88/94/70/453889470.db2.gz SBWKAELPFKLOBC-GOSISDBHSA-N 2 2 331.504 3.092 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835289 453929794 /nfs/dbraw/zinc/92/97/94/453929794.db2.gz OJYRZHZSPWXOAA-RBUKOAKNSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835289 453929797 /nfs/dbraw/zinc/92/97/97/453929797.db2.gz OJYRZHZSPWXOAA-RBUKOAKNSA-N 2 2 343.515 3.014 20 0 EGADLP O=C(/C=C/SCc1ccco1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000084977090 454018862 /nfs/dbraw/zinc/01/88/62/454018862.db2.gz GJOZHTZSJRHWFU-RUDMXATFSA-N 2 2 326.381 3.246 20 0 EGADLP c1ccc(N2CCC([NH2+]Cc3cccc4c3OCCCO4)CC2)[nH+]c1 ZINC000042790612 454024917 /nfs/dbraw/zinc/02/49/17/454024917.db2.gz CAXKAELXVHTVTA-UHFFFAOYSA-N 2 2 339.439 3.002 20 0 EGADLP CCCN(Cc1[nH+]ccn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000076746505 454033153 /nfs/dbraw/zinc/03/31/53/454033153.db2.gz PRVQRFQVQSDVCU-LJQANCHMSA-N 2 2 326.488 3.297 20 0 EGADLP CCCN(Cc1[nH+]ccn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076746505 454033155 /nfs/dbraw/zinc/03/31/55/454033155.db2.gz PRVQRFQVQSDVCU-LJQANCHMSA-N 2 2 326.488 3.297 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cnccn1 ZINC000184590662 455408975 /nfs/dbraw/zinc/40/89/75/455408975.db2.gz HWPVSRKLBHTGGB-INIZCTEOSA-N 2 2 325.460 3.171 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cnccn1 ZINC000184590662 455408979 /nfs/dbraw/zinc/40/89/79/455408979.db2.gz HWPVSRKLBHTGGB-INIZCTEOSA-N 2 2 325.460 3.171 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C1 ZINC000088728375 454117809 /nfs/dbraw/zinc/11/78/09/454117809.db2.gz MALYTXZKRXACMI-MNEFBYGVSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C1 ZINC000088728375 454117810 /nfs/dbraw/zinc/11/78/10/454117810.db2.gz MALYTXZKRXACMI-MNEFBYGVSA-N 2 2 330.497 3.381 20 0 EGADLP CC[NH+](Cc1ccccn1)CC(C)C[N@@H+](CC)Cc1ccccn1 ZINC000119869903 454230289 /nfs/dbraw/zinc/23/02/89/454230289.db2.gz CTROMQBKOBFHIP-UHFFFAOYSA-N 2 2 326.488 3.457 20 0 EGADLP CC[NH+](Cc1ccccn1)CC(C)C[N@H+](CC)Cc1ccccn1 ZINC000119869903 454230292 /nfs/dbraw/zinc/23/02/92/454230292.db2.gz CTROMQBKOBFHIP-UHFFFAOYSA-N 2 2 326.488 3.457 20 0 EGADLP CC[NH+]1CCN(CCCNc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090070980 454272074 /nfs/dbraw/zinc/27/20/74/454272074.db2.gz BJXLZOZFCSJOMB-UHFFFAOYSA-N 2 2 333.524 3.163 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000078562571 454276664 /nfs/dbraw/zinc/27/66/64/454276664.db2.gz XMASCJIWHZQBAN-INIZCTEOSA-N 2 2 339.487 3.269 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000078562571 454276667 /nfs/dbraw/zinc/27/66/67/454276667.db2.gz XMASCJIWHZQBAN-INIZCTEOSA-N 2 2 339.487 3.269 20 0 EGADLP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000090112804 454281734 /nfs/dbraw/zinc/28/17/34/454281734.db2.gz YEGVHGIAYNRUPX-HNNXBMFYSA-N 2 2 331.485 3.435 20 0 EGADLP Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090224760 454295737 /nfs/dbraw/zinc/29/57/37/454295737.db2.gz KWXJCBOKTJYHKT-UGSOOPFHSA-N 2 2 336.443 3.266 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090723896 454338843 /nfs/dbraw/zinc/33/88/43/454338843.db2.gz LSRGQTYDQDBEIG-UWJYYQICSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090723896 454338849 /nfs/dbraw/zinc/33/88/49/454338849.db2.gz LSRGQTYDQDBEIG-UWJYYQICSA-N 2 2 339.483 3.399 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1c(C)noc1C ZINC000090886289 454348993 /nfs/dbraw/zinc/34/89/93/454348993.db2.gz ODUOMYUQYWLOCO-SFHVURJKSA-N 2 2 328.460 3.392 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121004521 454376100 /nfs/dbraw/zinc/37/61/00/454376100.db2.gz KPGFQPPSZDMZKC-IPELMVKDSA-N 2 2 325.456 3.282 20 0 EGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cc(F)cc2cccnc21 ZINC000097032398 454390678 /nfs/dbraw/zinc/39/06/78/454390678.db2.gz PYVRQQPYXLXCAK-UHFFFAOYSA-N 2 2 333.326 3.207 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000097376993 454434725 /nfs/dbraw/zinc/43/47/25/454434725.db2.gz CQLIGTFMRAFEFZ-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC000097376993 454434731 /nfs/dbraw/zinc/43/47/31/454434731.db2.gz CQLIGTFMRAFEFZ-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@@H+]1CCc2ccccc2C1 ZINC000102425195 454505055 /nfs/dbraw/zinc/50/50/55/454505055.db2.gz IEUFSIMMBJVLLL-KRWDZBQOSA-N 2 2 334.463 3.499 20 0 EGADLP C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@H+]1CCc2ccccc2C1 ZINC000102425195 454505059 /nfs/dbraw/zinc/50/50/59/454505059.db2.gz IEUFSIMMBJVLLL-KRWDZBQOSA-N 2 2 334.463 3.499 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066171 454513369 /nfs/dbraw/zinc/51/33/69/454513369.db2.gz OSNYJVBMACIMNG-APWZRJJASA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066171 454513374 /nfs/dbraw/zinc/51/33/74/454513374.db2.gz OSNYJVBMACIMNG-APWZRJJASA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066171 454513380 /nfs/dbraw/zinc/51/33/80/454513380.db2.gz OSNYJVBMACIMNG-APWZRJJASA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066171 454513384 /nfs/dbraw/zinc/51/33/84/454513384.db2.gz OSNYJVBMACIMNG-APWZRJJASA-N 2 2 342.483 3.297 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1OC ZINC000092073852 454515995 /nfs/dbraw/zinc/51/59/95/454515995.db2.gz VVFFOFZDHADISB-ZDUSSCGKSA-N 2 2 335.835 3.460 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1OC ZINC000092073852 454516001 /nfs/dbraw/zinc/51/60/01/454516001.db2.gz VVFFOFZDHADISB-ZDUSSCGKSA-N 2 2 335.835 3.460 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)c2)c[nH+]1 ZINC000065457881 454570124 /nfs/dbraw/zinc/57/01/24/454570124.db2.gz ODUOZKRYLQBGAK-UHFFFAOYSA-N 2 2 344.422 3.006 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1O ZINC000092587718 454590779 /nfs/dbraw/zinc/59/07/79/454590779.db2.gz IJUKEWKCRKBJHS-GOSISDBHSA-N 2 2 332.488 3.345 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1O ZINC000092587718 454590787 /nfs/dbraw/zinc/59/07/87/454590787.db2.gz IJUKEWKCRKBJHS-GOSISDBHSA-N 2 2 332.488 3.345 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C(C3CC3)C3CC3)c2cc1C ZINC000050965678 454603882 /nfs/dbraw/zinc/60/38/82/454603882.db2.gz DWBPPLLYXLUCAR-QGZVFWFLSA-N 2 2 327.472 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C(C3CC3)C3CC3)c2cc1C ZINC000050965678 454603885 /nfs/dbraw/zinc/60/38/85/454603885.db2.gz DWBPPLLYXLUCAR-QGZVFWFLSA-N 2 2 327.472 3.134 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000104949718 454611924 /nfs/dbraw/zinc/61/19/24/454611924.db2.gz OTWIUHXOKWIQKA-DVECYGJZSA-N 2 2 348.556 3.238 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000104949718 454611929 /nfs/dbraw/zinc/61/19/29/454611929.db2.gz OTWIUHXOKWIQKA-DVECYGJZSA-N 2 2 348.556 3.238 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134947152 454615456 /nfs/dbraw/zinc/61/54/56/454615456.db2.gz YTUPJDOUANBUOP-RHSMWYFYSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134947152 454615459 /nfs/dbraw/zinc/61/54/59/454615459.db2.gz YTUPJDOUANBUOP-RHSMWYFYSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134947152 454615465 /nfs/dbraw/zinc/61/54/65/454615465.db2.gz YTUPJDOUANBUOP-RHSMWYFYSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134947152 454615467 /nfs/dbraw/zinc/61/54/67/454615467.db2.gz YTUPJDOUANBUOP-RHSMWYFYSA-N 2 2 346.471 3.077 20 0 EGADLP Fc1ccc(-c2noc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1F ZINC000135214214 454647497 /nfs/dbraw/zinc/64/74/97/454647497.db2.gz KSZVSRLYXTZGQW-UHFFFAOYSA-N 2 2 345.353 3.048 20 0 EGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135257055 454654248 /nfs/dbraw/zinc/65/42/48/454654248.db2.gz STVSWAKYYYUZSS-NVXWUHKLSA-N 2 2 347.434 3.321 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000123618386 454657000 /nfs/dbraw/zinc/65/70/00/454657000.db2.gz GGUILQYHOZLPCM-CQSZACIVSA-N 2 2 335.398 3.476 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000123618386 454657004 /nfs/dbraw/zinc/65/70/04/454657004.db2.gz GGUILQYHOZLPCM-CQSZACIVSA-N 2 2 335.398 3.476 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961605 454658909 /nfs/dbraw/zinc/65/89/09/454658909.db2.gz QYRZBSGCDYIDLG-AWEZNQCLSA-N 2 2 344.484 3.340 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961605 454658911 /nfs/dbraw/zinc/65/89/11/454658911.db2.gz QYRZBSGCDYIDLG-AWEZNQCLSA-N 2 2 344.484 3.340 20 0 EGADLP CCn1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2c1cccc2F ZINC000080961048 454658950 /nfs/dbraw/zinc/65/89/50/454658950.db2.gz BBZODENKXVPCME-CYBMUJFWSA-N 2 2 327.407 3.298 20 0 EGADLP CCn1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2c1cccc2F ZINC000080961048 454658952 /nfs/dbraw/zinc/65/89/52/454658952.db2.gz BBZODENKXVPCME-CYBMUJFWSA-N 2 2 327.407 3.298 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)n1C1CC1 ZINC000080961576 454659858 /nfs/dbraw/zinc/65/98/58/454659858.db2.gz OJKRQZQSXOEKPF-HNNXBMFYSA-N 2 2 326.444 3.225 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)n1C1CC1 ZINC000080961576 454659863 /nfs/dbraw/zinc/65/98/63/454659863.db2.gz OJKRQZQSXOEKPF-HNNXBMFYSA-N 2 2 326.444 3.225 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000105896240 454666810 /nfs/dbraw/zinc/66/68/10/454666810.db2.gz PBMFAHXOFIDOCU-DLBZAZTESA-N 2 2 340.471 3.418 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000105896240 454666812 /nfs/dbraw/zinc/66/68/12/454666812.db2.gz PBMFAHXOFIDOCU-DLBZAZTESA-N 2 2 340.471 3.418 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)CC(C)C ZINC000106525503 454699372 /nfs/dbraw/zinc/69/93/72/454699372.db2.gz PUIKDCACVSKLEO-DLBZAZTESA-N 2 2 349.523 3.403 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865995 454741708 /nfs/dbraw/zinc/74/17/08/454741708.db2.gz JXPBWEWASUOLNO-MRXNPFEDSA-N 2 2 338.386 3.264 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865995 454741711 /nfs/dbraw/zinc/74/17/11/454741711.db2.gz JXPBWEWASUOLNO-MRXNPFEDSA-N 2 2 338.386 3.264 20 0 EGADLP CCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124851821 454775929 /nfs/dbraw/zinc/77/59/29/454775929.db2.gz IQCVTQRIOYNNIB-OALUTQOASA-N 2 2 337.552 3.362 20 0 EGADLP CCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124851821 454775933 /nfs/dbraw/zinc/77/59/33/454775933.db2.gz IQCVTQRIOYNNIB-OALUTQOASA-N 2 2 337.552 3.362 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000162684233 454793935 /nfs/dbraw/zinc/79/39/35/454793935.db2.gz XXQUKNDFXPXPTA-DOTOQJQBSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000162684233 454793937 /nfs/dbraw/zinc/79/39/37/454793937.db2.gz XXQUKNDFXPXPTA-DOTOQJQBSA-N 2 2 341.455 3.455 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000176913905 454797760 /nfs/dbraw/zinc/79/77/60/454797760.db2.gz NZTDAIDDAMCXCX-INIZCTEOSA-N 2 2 332.492 3.090 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000125268849 454808968 /nfs/dbraw/zinc/80/89/68/454808968.db2.gz OKHBVFOPDXQGFI-HZPDHXFCSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000125268849 454808974 /nfs/dbraw/zinc/80/89/74/454808974.db2.gz OKHBVFOPDXQGFI-HZPDHXFCSA-N 2 2 334.460 3.243 20 0 EGADLP Cc1noc([C@@H](C)[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC000108947707 454817586 /nfs/dbraw/zinc/81/75/86/454817586.db2.gz NCHIWUOCZDWOSI-CQSZACIVSA-N 2 2 337.427 3.118 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000177588724 454880852 /nfs/dbraw/zinc/88/08/52/454880852.db2.gz DHSYDENICPXTGB-IAGOWNOFSA-N 2 2 339.439 3.477 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CC2 ZINC000126347643 454887836 /nfs/dbraw/zinc/88/78/36/454887836.db2.gz RQYQYYMRFUVRSB-IBGZPJMESA-N 2 2 334.423 3.361 20 0 EGADLP CCn1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000165350276 454899363 /nfs/dbraw/zinc/89/93/63/454899363.db2.gz HFPBHPKGNXROMD-HNNXBMFYSA-N 2 2 330.451 3.357 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000166236625 454909066 /nfs/dbraw/zinc/90/90/66/454909066.db2.gz YHJNDZMXIQOSRS-LJQANCHMSA-N 2 2 335.923 3.234 20 0 EGADLP C[NH+](C)[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000166236625 454909069 /nfs/dbraw/zinc/90/90/69/454909069.db2.gz YHJNDZMXIQOSRS-LJQANCHMSA-N 2 2 335.923 3.234 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C12CCC2 ZINC000166254644 454909708 /nfs/dbraw/zinc/90/97/08/454909708.db2.gz HXMSKODFHCOZGR-OJAHFUOMSA-N 2 2 343.515 3.229 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C12CCC2 ZINC000166254644 454909714 /nfs/dbraw/zinc/90/97/14/454909714.db2.gz HXMSKODFHCOZGR-OJAHFUOMSA-N 2 2 343.515 3.229 20 0 EGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154656233 454916063 /nfs/dbraw/zinc/91/60/63/454916063.db2.gz GKVMOPAUPYMRDC-DGCLKSJQSA-N 2 2 329.257 3.203 20 0 EGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154656233 454916066 /nfs/dbraw/zinc/91/60/66/454916066.db2.gz GKVMOPAUPYMRDC-DGCLKSJQSA-N 2 2 329.257 3.203 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000167860409 454923991 /nfs/dbraw/zinc/92/39/91/454923991.db2.gz IBIFFKMNMZHPTO-HNNXBMFYSA-N 2 2 339.474 3.435 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1OC(F)F ZINC000151121462 454941199 /nfs/dbraw/zinc/94/11/99/454941199.db2.gz AYNVWEUQTIALPV-GFCCVEGCSA-N 2 2 325.359 3.234 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000155092310 454961951 /nfs/dbraw/zinc/96/19/51/454961951.db2.gz AHYXLPOVVWZHNL-CMTQZCSUSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000155092310 454961954 /nfs/dbraw/zinc/96/19/54/454961954.db2.gz AHYXLPOVVWZHNL-CMTQZCSUSA-N 2 2 344.499 3.218 20 0 EGADLP CC[C@H](NC[C@@H](Cc1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182358848 455496826 /nfs/dbraw/zinc/49/68/26/455496826.db2.gz KKKCJTNTHDPXNV-MOPGFXCFSA-N 2 2 328.504 3.414 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)nc1 ZINC000179107325 455009453 /nfs/dbraw/zinc/00/94/53/455009453.db2.gz QINBTGMNBXHKNR-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)nc1 ZINC000179108073 455009508 /nfs/dbraw/zinc/00/95/08/455009508.db2.gz HMPZGIXIHWAHIQ-OAHLLOKOSA-N 2 2 345.874 3.418 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171454 455016606 /nfs/dbraw/zinc/01/66/06/455016606.db2.gz ROMSYJASGGFIBG-AUUYWEPGSA-N 2 2 346.446 3.141 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171454 455016611 /nfs/dbraw/zinc/01/66/11/455016611.db2.gz ROMSYJASGGFIBG-AUUYWEPGSA-N 2 2 346.446 3.141 20 0 EGADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171454 455016612 /nfs/dbraw/zinc/01/66/12/455016612.db2.gz ROMSYJASGGFIBG-AUUYWEPGSA-N 2 2 346.446 3.141 20 0 EGADLP Fc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2c(c1)COCO2 ZINC000179171454 455016616 /nfs/dbraw/zinc/01/66/16/455016616.db2.gz ROMSYJASGGFIBG-AUUYWEPGSA-N 2 2 346.446 3.141 20 0 EGADLP c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000179170167 455017059 /nfs/dbraw/zinc/01/70/59/455017059.db2.gz RLHHKJYJCSDTRV-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2nnc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000179170167 455017065 /nfs/dbraw/zinc/01/70/65/455017065.db2.gz RLHHKJYJCSDTRV-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000179170167 455017069 /nfs/dbraw/zinc/01/70/69/455017069.db2.gz RLHHKJYJCSDTRV-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000179170167 455017071 /nfs/dbraw/zinc/01/70/71/455017071.db2.gz RLHHKJYJCSDTRV-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCn2cc[nH+]c2)cnn1-c1cccc(Cl)c1 ZINC000155638605 455025409 /nfs/dbraw/zinc/02/54/09/455025409.db2.gz FYZAJMRIVUVGIB-ZDUSSCGKSA-N 2 2 329.835 3.381 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000155871247 455055710 /nfs/dbraw/zinc/05/57/10/455055710.db2.gz QPACLZLLOKJWTQ-UHFFFAOYSA-N 2 2 349.438 3.198 20 0 EGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000128589413 455070537 /nfs/dbraw/zinc/07/05/37/455070537.db2.gz GXWBYCRQDBDKKI-UHFFFAOYSA-N 2 2 337.427 3.002 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128588469 455070798 /nfs/dbraw/zinc/07/07/98/455070798.db2.gz SDRWZEVDHJXJGQ-CVEARBPZSA-N 2 2 339.549 3.493 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(C(C)C)cs2)[C@H](C)C1 ZINC000128588469 455070804 /nfs/dbraw/zinc/07/08/04/455070804.db2.gz SDRWZEVDHJXJGQ-CVEARBPZSA-N 2 2 339.549 3.493 20 0 EGADLP c1cc(-c2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cs2)co1 ZINC000156370778 455110867 /nfs/dbraw/zinc/11/08/67/455110867.db2.gz SDGQRQLRTKFQNF-INIZCTEOSA-N 2 2 327.409 3.451 20 0 EGADLP c1cc(-c2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cs2)co1 ZINC000156370778 455110869 /nfs/dbraw/zinc/11/08/69/455110869.db2.gz SDGQRQLRTKFQNF-INIZCTEOSA-N 2 2 327.409 3.451 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156457130 455120082 /nfs/dbraw/zinc/12/00/82/455120082.db2.gz ZYJRAYIEXXWGKI-RHSMWYFYSA-N 2 2 341.434 3.475 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156457130 455120084 /nfs/dbraw/zinc/12/00/84/455120084.db2.gz ZYJRAYIEXXWGKI-RHSMWYFYSA-N 2 2 341.434 3.475 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042278 455120804 /nfs/dbraw/zinc/12/08/04/455120804.db2.gz XAYOFDNUIZIGLA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042278 455120808 /nfs/dbraw/zinc/12/08/08/455120808.db2.gz XAYOFDNUIZIGLA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042278 455120810 /nfs/dbraw/zinc/12/08/10/455120810.db2.gz XAYOFDNUIZIGLA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000180042278 455120813 /nfs/dbraw/zinc/12/08/13/455120813.db2.gz XAYOFDNUIZIGLA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156474427 455122774 /nfs/dbraw/zinc/12/27/74/455122774.db2.gz LWTYUIZNHSMQKO-DCGLDWPTSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156474427 455122777 /nfs/dbraw/zinc/12/27/77/455122777.db2.gz LWTYUIZNHSMQKO-DCGLDWPTSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156538403 455130210 /nfs/dbraw/zinc/13/02/10/455130210.db2.gz WOPDLIKGFTXPTG-KEYYUXOJSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156538403 455130213 /nfs/dbraw/zinc/13/02/13/455130213.db2.gz WOPDLIKGFTXPTG-KEYYUXOJSA-N 2 2 346.862 3.447 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004097 455160538 /nfs/dbraw/zinc/16/05/38/455160538.db2.gz AVOOUMFOWFAPPL-CMKODMSKSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004097 455160540 /nfs/dbraw/zinc/16/05/40/455160540.db2.gz AVOOUMFOWFAPPL-CMKODMSKSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004097 455160542 /nfs/dbraw/zinc/16/05/42/455160542.db2.gz AVOOUMFOWFAPPL-CMKODMSKSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004097 455160544 /nfs/dbraw/zinc/16/05/44/455160544.db2.gz AVOOUMFOWFAPPL-CMKODMSKSA-N 2 2 345.531 3.132 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000623657651 460665803 /nfs/dbraw/zinc/66/58/03/460665803.db2.gz VYPILWXCPLJYDZ-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000623657651 460665809 /nfs/dbraw/zinc/66/58/09/460665809.db2.gz VYPILWXCPLJYDZ-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000189349405 455182214 /nfs/dbraw/zinc/18/22/14/455182214.db2.gz MFEAMZUMNMNSLD-CYBMUJFWSA-N 2 2 326.843 3.070 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000623657322 460666317 /nfs/dbraw/zinc/66/63/17/460666317.db2.gz NMGPCXQOOJQHNB-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000623657322 460666323 /nfs/dbraw/zinc/66/63/23/460666323.db2.gz NMGPCXQOOJQHNB-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CC[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+](CC)CC ZINC000265429504 455323175 /nfs/dbraw/zinc/32/31/75/455323175.db2.gz BPCITWVIWUYFQV-VQIMIIECSA-N 2 2 347.503 3.139 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)c2)c[nH+]1 ZINC000245549832 455328280 /nfs/dbraw/zinc/32/82/80/455328280.db2.gz GWFBSCIHYWUWDR-XUVXKRRUSA-N 2 2 337.467 3.369 20 0 EGADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245702948 455360365 /nfs/dbraw/zinc/36/03/65/455360365.db2.gz RRNMHOLVOPVTBH-IOASZLSFSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245702948 455360370 /nfs/dbraw/zinc/36/03/70/455360370.db2.gz RRNMHOLVOPVTBH-IOASZLSFSA-N 2 2 348.397 3.071 20 0 EGADLP Cn1c(CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH+]c2ccccc21 ZINC000181978504 455407879 /nfs/dbraw/zinc/40/78/79/455407879.db2.gz OARWPQAIXJDTNI-KYNGSXCRSA-N 2 2 325.456 3.053 20 0 EGADLP COC[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000182235122 455467771 /nfs/dbraw/zinc/46/77/71/455467771.db2.gz NBSYTJCUUZSSAB-GOSISDBHSA-N 2 2 326.431 3.364 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000266892890 455470804 /nfs/dbraw/zinc/47/08/04/455470804.db2.gz DKPVZSKRCGSABM-UKRRQHHQSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000266892890 455470807 /nfs/dbraw/zinc/47/08/07/455470807.db2.gz DKPVZSKRCGSABM-UKRRQHHQSA-N 2 2 346.862 3.120 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904251 455472510 /nfs/dbraw/zinc/47/25/10/455472510.db2.gz HGAULXYFYYCQME-HUUCEWRRSA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904251 455472515 /nfs/dbraw/zinc/47/25/15/455472515.db2.gz HGAULXYFYYCQME-HUUCEWRRSA-N 2 2 342.443 3.015 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)C1 ZINC000246458068 455493600 /nfs/dbraw/zinc/49/36/00/455493600.db2.gz YQBQZTMZQZJZJK-NZSAHSFTSA-N 2 2 327.472 3.307 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)C1 ZINC000246458068 455493602 /nfs/dbraw/zinc/49/36/02/455493602.db2.gz YQBQZTMZQZJZJK-NZSAHSFTSA-N 2 2 327.472 3.307 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nccn1C ZINC000182383987 455502706 /nfs/dbraw/zinc/50/27/06/455502706.db2.gz CEHOQSUFVCAZMQ-LJQANCHMSA-N 2 2 326.488 3.168 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nccn1C ZINC000182383970 455502892 /nfs/dbraw/zinc/50/28/92/455502892.db2.gz CEHOQSUFVCAZMQ-IBGZPJMESA-N 2 2 326.488 3.168 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247083684 455557785 /nfs/dbraw/zinc/55/77/85/455557785.db2.gz NMAWQBSWRSQZIF-ZWKOTPCHSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247083684 455557787 /nfs/dbraw/zinc/55/77/87/455557787.db2.gz NMAWQBSWRSQZIF-ZWKOTPCHSA-N 2 2 329.488 3.272 20 0 EGADLP CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000192137017 455562391 /nfs/dbraw/zinc/56/23/91/455562391.db2.gz UAYKJPHQZJMRGE-INIZCTEOSA-N 2 2 335.835 3.163 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000247152470 455567330 /nfs/dbraw/zinc/56/73/30/455567330.db2.gz XEBNBEXUZUBDFJ-ZQIUZPCESA-N 2 2 330.451 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000247152470 455567331 /nfs/dbraw/zinc/56/73/31/455567331.db2.gz XEBNBEXUZUBDFJ-ZQIUZPCESA-N 2 2 330.451 3.453 20 0 EGADLP Fc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355271 455595765 /nfs/dbraw/zinc/59/57/65/455595765.db2.gz XGKUBSXKBYARAA-HXUWFJFHSA-N 2 2 328.431 3.206 20 0 EGADLP Fc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355271 455595770 /nfs/dbraw/zinc/59/57/70/455595770.db2.gz XGKUBSXKBYARAA-HXUWFJFHSA-N 2 2 328.431 3.206 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688690 455597349 /nfs/dbraw/zinc/59/73/49/455597349.db2.gz MCFDODXHYORAMN-KGLIPLIRSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688690 455597354 /nfs/dbraw/zinc/59/73/54/455597354.db2.gz MCFDODXHYORAMN-KGLIPLIRSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000247493343 455612498 /nfs/dbraw/zinc/61/24/98/455612498.db2.gz ZSQVHRMSEVNVAJ-KMRIWGIYSA-N 2 2 347.506 3.468 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000247493343 455612500 /nfs/dbraw/zinc/61/25/00/455612500.db2.gz ZSQVHRMSEVNVAJ-KMRIWGIYSA-N 2 2 347.506 3.468 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529983 455619786 /nfs/dbraw/zinc/61/97/86/455619786.db2.gz ODNXSJABTCHIPF-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529983 455619789 /nfs/dbraw/zinc/61/97/89/455619789.db2.gz ODNXSJABTCHIPF-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247529983 455619794 /nfs/dbraw/zinc/61/97/94/455619794.db2.gz ODNXSJABTCHIPF-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247529983 455619798 /nfs/dbraw/zinc/61/97/98/455619798.db2.gz ODNXSJABTCHIPF-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247561900 455625187 /nfs/dbraw/zinc/62/51/87/455625187.db2.gz KXFQIRLNHVJZEX-MPGHIAIKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247561900 455625191 /nfs/dbraw/zinc/62/51/91/455625191.db2.gz KXFQIRLNHVJZEX-MPGHIAIKSA-N 2 2 344.434 3.241 20 0 EGADLP CCOC[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084144 455633914 /nfs/dbraw/zinc/63/39/14/455633914.db2.gz LMTASMMZAHPPJB-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084144 455633916 /nfs/dbraw/zinc/63/39/16/455633916.db2.gz LMTASMMZAHPPJB-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084144 455633918 /nfs/dbraw/zinc/63/39/18/455633918.db2.gz LMTASMMZAHPPJB-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084144 455633920 /nfs/dbraw/zinc/63/39/20/455633920.db2.gz LMTASMMZAHPPJB-RTWAWAEBSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000247657603 455635139 /nfs/dbraw/zinc/63/51/39/455635139.db2.gz PSEHYNSCZZXDER-MSOLQXFVSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000247657603 455635140 /nfs/dbraw/zinc/63/51/40/455635140.db2.gz PSEHYNSCZZXDER-MSOLQXFVSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000247657603 455635142 /nfs/dbraw/zinc/63/51/42/455635142.db2.gz PSEHYNSCZZXDER-MSOLQXFVSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000247657603 455635147 /nfs/dbraw/zinc/63/51/47/455635147.db2.gz PSEHYNSCZZXDER-MSOLQXFVSA-N 2 2 326.488 3.421 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000247671931 455636345 /nfs/dbraw/zinc/63/63/45/455636345.db2.gz QYFPOFMWUDJYJB-PBHICJAKSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000247671931 455636351 /nfs/dbraw/zinc/63/63/51/455636351.db2.gz QYFPOFMWUDJYJB-PBHICJAKSA-N 2 2 346.862 3.367 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247774532 455645274 /nfs/dbraw/zinc/64/52/74/455645274.db2.gz WPADTXWEJGWDMR-XNJGSVPQSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247774532 455645278 /nfs/dbraw/zinc/64/52/78/455645278.db2.gz WPADTXWEJGWDMR-XNJGSVPQSA-N 2 2 348.397 3.071 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030246 455672296 /nfs/dbraw/zinc/67/22/96/455672296.db2.gz QETFMXRNAIOQTH-RDTXWAMCSA-N 2 2 330.476 3.105 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030246 455672298 /nfs/dbraw/zinc/67/22/98/455672298.db2.gz QETFMXRNAIOQTH-RDTXWAMCSA-N 2 2 330.476 3.105 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162081 455691254 /nfs/dbraw/zinc/69/12/54/455691254.db2.gz SIDMMNREBCXDDE-QFBILLFUSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162081 455691258 /nfs/dbraw/zinc/69/12/58/455691258.db2.gz SIDMMNREBCXDDE-QFBILLFUSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248162081 455691263 /nfs/dbraw/zinc/69/12/63/455691263.db2.gz SIDMMNREBCXDDE-QFBILLFUSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248162081 455691267 /nfs/dbraw/zinc/69/12/67/455691267.db2.gz SIDMMNREBCXDDE-QFBILLFUSA-N 2 2 329.488 3.165 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268811111 455714488 /nfs/dbraw/zinc/71/44/88/455714488.db2.gz KRJPLUKKJQGCQV-MEBBXXQBSA-N 2 2 338.224 3.450 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268911000 455727342 /nfs/dbraw/zinc/72/73/42/455727342.db2.gz MUZSRPRATWWUPH-PBHICJAKSA-N 2 2 344.528 3.015 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268911000 455727346 /nfs/dbraw/zinc/72/73/46/455727346.db2.gz MUZSRPRATWWUPH-PBHICJAKSA-N 2 2 344.528 3.015 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268945929 455740099 /nfs/dbraw/zinc/74/00/99/455740099.db2.gz WPBQYGXPKVHUQL-LVCYWYKZSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268945929 455740106 /nfs/dbraw/zinc/74/01/06/455740106.db2.gz WPBQYGXPKVHUQL-LVCYWYKZSA-N 3 2 340.515 3.470 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000249575800 455762647 /nfs/dbraw/zinc/76/26/47/455762647.db2.gz MPLGIXRHOFDTIU-LPHOPBHVSA-N 2 2 332.488 3.019 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000249575800 455762649 /nfs/dbraw/zinc/76/26/49/455762649.db2.gz MPLGIXRHOFDTIU-LPHOPBHVSA-N 2 2 332.488 3.019 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002304 455769870 /nfs/dbraw/zinc/76/98/70/455769870.db2.gz SXLDWRWHVPBPKB-JCKWVBRZSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002304 455769876 /nfs/dbraw/zinc/76/98/76/455769876.db2.gz SXLDWRWHVPBPKB-JCKWVBRZSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)oc1C ZINC000293002304 455769883 /nfs/dbraw/zinc/76/98/83/455769883.db2.gz SXLDWRWHVPBPKB-JCKWVBRZSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)oc1C ZINC000293002304 455769889 /nfs/dbraw/zinc/76/98/89/455769889.db2.gz SXLDWRWHVPBPKB-JCKWVBRZSA-N 2 2 346.471 3.384 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000278151598 455771084 /nfs/dbraw/zinc/77/10/84/455771084.db2.gz ADOXAIDNAJGXDF-OCCSQVGLSA-N 2 2 331.416 3.017 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC000271840312 455782555 /nfs/dbraw/zinc/78/25/55/455782555.db2.gz SWGNGTRNOUTRTP-KRWDZBQOSA-N 2 2 332.488 3.372 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N3[C@H](C)CCC[C@H]3C)C2)CC1 ZINC000250289886 455787471 /nfs/dbraw/zinc/78/74/71/455787471.db2.gz QHRILXJMMBONJE-AQNXPRMDSA-N 2 2 349.563 3.220 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N3[C@H](C)CCC[C@H]3C)C2)CC1 ZINC000250289886 455787473 /nfs/dbraw/zinc/78/74/73/455787473.db2.gz QHRILXJMMBONJE-AQNXPRMDSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194121743 455805065 /nfs/dbraw/zinc/80/50/65/455805065.db2.gz VBSMDHZVAZUIFB-HUYLIWGRSA-N 2 2 341.499 3.154 20 0 EGADLP C[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000285258587 455813269 /nfs/dbraw/zinc/81/32/69/455813269.db2.gz IUXUMVSIPSNMRX-SFHVURJKSA-N 2 2 333.545 3.026 20 0 EGADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000285258587 455813274 /nfs/dbraw/zinc/81/32/74/455813274.db2.gz IUXUMVSIPSNMRX-SFHVURJKSA-N 2 2 333.545 3.026 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)s1 ZINC000285492474 455857412 /nfs/dbraw/zinc/85/74/12/455857412.db2.gz CETJMINCNHALSS-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)s1 ZINC000285492474 455857415 /nfs/dbraw/zinc/85/74/15/455857415.db2.gz CETJMINCNHALSS-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)s1 ZINC000285492474 455857418 /nfs/dbraw/zinc/85/74/18/455857418.db2.gz CETJMINCNHALSS-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)s1 ZINC000285492474 455857419 /nfs/dbraw/zinc/85/74/19/455857419.db2.gz CETJMINCNHALSS-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187176572 455877775 /nfs/dbraw/zinc/87/77/75/455877775.db2.gz NHKHYUXNQYLWQO-UZLBHIALSA-N 2 2 348.450 3.294 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccn1 ZINC000272276030 455898825 /nfs/dbraw/zinc/89/88/25/455898825.db2.gz NXQFKNGOYQLNIB-HNNXBMFYSA-N 2 2 325.460 3.180 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000270193757 455899128 /nfs/dbraw/zinc/89/91/28/455899128.db2.gz BJIVJRWEZQRRQL-UHFFFAOYSA-N 2 2 326.488 3.236 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000270193757 455899134 /nfs/dbraw/zinc/89/91/34/455899134.db2.gz BJIVJRWEZQRRQL-UHFFFAOYSA-N 2 2 326.488 3.236 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261610977 455912561 /nfs/dbraw/zinc/91/25/61/455912561.db2.gz BZQJHTMKXBNQDF-ZWKOTPCHSA-N 2 2 326.440 3.021 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261610977 455912566 /nfs/dbraw/zinc/91/25/66/455912566.db2.gz BZQJHTMKXBNQDF-ZWKOTPCHSA-N 2 2 326.440 3.021 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000285764835 455912673 /nfs/dbraw/zinc/91/26/73/455912673.db2.gz SXRLAFRLBGWNFF-RYUDHWBXSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000285764835 455912675 /nfs/dbraw/zinc/91/26/75/455912675.db2.gz SXRLAFRLBGWNFF-RYUDHWBXSA-N 2 2 345.231 3.444 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(Br)n2)CC1 ZINC000272445925 455953893 /nfs/dbraw/zinc/95/38/93/455953893.db2.gz UUAQEDFXQXTPNE-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(Br)n2)CC1 ZINC000272445925 455953894 /nfs/dbraw/zinc/95/38/94/455953894.db2.gz UUAQEDFXQXTPNE-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000195151108 455927266 /nfs/dbraw/zinc/92/72/66/455927266.db2.gz UURBWSYFEJZELK-UHFFFAOYSA-N 2 2 348.450 3.076 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc2)n1 ZINC000261713667 455933696 /nfs/dbraw/zinc/93/36/96/455933696.db2.gz KQGCKWXOBZTAPP-FCHUYYIVSA-N 2 2 346.478 3.416 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc2)n1 ZINC000261713667 455933701 /nfs/dbraw/zinc/93/37/01/455933701.db2.gz KQGCKWXOBZTAPP-FCHUYYIVSA-N 2 2 346.478 3.416 20 0 EGADLP CCCOC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280332277 455950138 /nfs/dbraw/zinc/95/01/38/455950138.db2.gz ZUXYTIYMIHSUIZ-CQSZACIVSA-N 2 2 329.444 3.323 20 0 EGADLP C[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1C[NH3+] ZINC000261974183 455980285 /nfs/dbraw/zinc/98/02/85/455980285.db2.gz QMLSQLUBQUSFEI-BXUZGUMPSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1C[NH3+] ZINC000261974183 455980288 /nfs/dbraw/zinc/98/02/88/455980288.db2.gz QMLSQLUBQUSFEI-BXUZGUMPSA-N 2 2 344.286 3.381 20 0 EGADLP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543845 455988259 /nfs/dbraw/zinc/98/82/59/455988259.db2.gz CZJJJQOYDOCQDU-WDSOQIARSA-N 2 2 328.456 3.467 20 0 EGADLP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543845 455988263 /nfs/dbraw/zinc/98/82/63/455988263.db2.gz CZJJJQOYDOCQDU-WDSOQIARSA-N 2 2 328.456 3.467 20 0 EGADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000296612740 455989270 /nfs/dbraw/zinc/98/92/70/455989270.db2.gz ZJHUJSOVGBXXNL-INIZCTEOSA-N 2 2 344.484 3.076 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC000286199475 455998367 /nfs/dbraw/zinc/99/83/67/455998367.db2.gz DKDQFGSBWFUSJY-QGZVFWFLSA-N 2 2 348.878 3.113 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1 ZINC000286199475 455998373 /nfs/dbraw/zinc/99/83/73/455998373.db2.gz DKDQFGSBWFUSJY-QGZVFWFLSA-N 2 2 348.878 3.113 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1 ZINC000286199475 455998379 /nfs/dbraw/zinc/99/83/79/455998379.db2.gz DKDQFGSBWFUSJY-QGZVFWFLSA-N 2 2 348.878 3.113 20 0 EGADLP Fc1ccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000262147016 456004679 /nfs/dbraw/zinc/00/46/79/456004679.db2.gz QPDHKWJXVZXTPQ-UHFFFAOYSA-N 2 2 326.843 3.322 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744638 456026957 /nfs/dbraw/zinc/02/69/57/456026957.db2.gz JZLILWIQOSLUAP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744638 456026963 /nfs/dbraw/zinc/02/69/63/456026963.db2.gz JZLILWIQOSLUAP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744638 456026968 /nfs/dbraw/zinc/02/69/68/456026968.db2.gz JZLILWIQOSLUAP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744638 456026976 /nfs/dbraw/zinc/02/69/76/456026976.db2.gz JZLILWIQOSLUAP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670372 456033907 /nfs/dbraw/zinc/03/39/07/456033907.db2.gz SVQFTKIPRNROQR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670372 456033915 /nfs/dbraw/zinc/03/39/15/456033915.db2.gz SVQFTKIPRNROQR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670372 456033920 /nfs/dbraw/zinc/03/39/20/456033920.db2.gz SVQFTKIPRNROQR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670372 456033927 /nfs/dbraw/zinc/03/39/27/456033927.db2.gz SVQFTKIPRNROQR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](OCc4ccncc4)C3)cc2)c[nH+]1 ZINC000280911083 456080143 /nfs/dbraw/zinc/08/01/43/456080143.db2.gz FQPOZLFFBMVXCM-HXUWFJFHSA-N 2 2 334.423 3.058 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](OCc4ccncc4)C3)cc2)c[nH+]1 ZINC000280911083 456080148 /nfs/dbraw/zinc/08/01/48/456080148.db2.gz FQPOZLFFBMVXCM-HXUWFJFHSA-N 2 2 334.423 3.058 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344020 456115037 /nfs/dbraw/zinc/11/50/37/456115037.db2.gz YWLGYJFBUWPZHY-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344020 456115046 /nfs/dbraw/zinc/11/50/46/456115046.db2.gz YWLGYJFBUWPZHY-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344020 456115051 /nfs/dbraw/zinc/11/50/51/456115051.db2.gz YWLGYJFBUWPZHY-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344020 456115052 /nfs/dbraw/zinc/11/50/52/456115052.db2.gz YWLGYJFBUWPZHY-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP CCn1ccnc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000297144841 456131362 /nfs/dbraw/zinc/13/13/62/456131362.db2.gz ZRISLGPYWFHVHH-HNNXBMFYSA-N 2 2 342.491 3.002 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000297147800 456132802 /nfs/dbraw/zinc/13/28/02/456132802.db2.gz ZURPAXJLBCCBTJ-XOKHGSTOSA-N 2 2 348.853 3.403 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000297147800 456132811 /nfs/dbraw/zinc/13/28/11/456132811.db2.gz ZURPAXJLBCCBTJ-XOKHGSTOSA-N 2 2 348.853 3.403 20 0 EGADLP FC(F)(F)c1cc[nH+]c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000301546086 456143633 /nfs/dbraw/zinc/14/36/33/456143633.db2.gz WVPJOIXOUHIVMB-GFCCVEGCSA-N 2 2 329.366 3.013 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289861607 456159922 /nfs/dbraw/zinc/15/99/22/456159922.db2.gz RRKXRLWPIZOBIZ-SFHVURJKSA-N 2 2 340.895 3.118 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228392 456172314 /nfs/dbraw/zinc/17/23/14/456172314.db2.gz VNOCVBQGMTWADO-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228392 456172319 /nfs/dbraw/zinc/17/23/19/456172319.db2.gz VNOCVBQGMTWADO-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228392 456172325 /nfs/dbraw/zinc/17/23/25/456172325.db2.gz VNOCVBQGMTWADO-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281228392 456172328 /nfs/dbraw/zinc/17/23/28/456172328.db2.gz VNOCVBQGMTWADO-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000236754237 456179069 /nfs/dbraw/zinc/17/90/69/456179069.db2.gz OUAKFDZPEJYQQX-MRXNPFEDSA-N 2 2 326.444 3.198 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCCSC3)c[nH+]c12 ZINC000273102174 456179248 /nfs/dbraw/zinc/17/92/48/456179248.db2.gz OWNRITBMYQFDFR-LBPRGKRZSA-N 2 2 340.290 3.390 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951525 456193153 /nfs/dbraw/zinc/19/31/53/456193153.db2.gz WOARDEPRJSMNJK-ULQDDVLXSA-N 2 2 343.471 3.443 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000237090370 456230870 /nfs/dbraw/zinc/23/08/70/456230870.db2.gz JCHJNMRUBOHJRY-UHFFFAOYSA-N 2 2 334.467 3.484 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1ccn(-c2ccccc2)n1)Cc1ccccc1 ZINC000237090370 456230874 /nfs/dbraw/zinc/23/08/74/456230874.db2.gz JCHJNMRUBOHJRY-UHFFFAOYSA-N 2 2 334.467 3.484 20 0 EGADLP Cc1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cn2cc[nH+]c12 ZINC000333642233 456243779 /nfs/dbraw/zinc/24/37/79/456243779.db2.gz IZHXCPLFOPUHJB-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP Cc1ccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301897309 456244099 /nfs/dbraw/zinc/24/40/99/456244099.db2.gz VNOATQXXIDVRLL-IBGZPJMESA-N 2 2 336.439 3.357 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000333736259 456256202 /nfs/dbraw/zinc/25/62/02/456256202.db2.gz WYCIZKZNRLABDI-KXBFYZLASA-N 2 2 326.444 3.182 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000333736259 456256208 /nfs/dbraw/zinc/25/62/08/456256208.db2.gz WYCIZKZNRLABDI-KXBFYZLASA-N 2 2 326.444 3.182 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281529927 456258679 /nfs/dbraw/zinc/25/86/79/456258679.db2.gz ZWUVJLBXUHFQFD-HNNXBMFYSA-N 2 2 335.517 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281529927 456258683 /nfs/dbraw/zinc/25/86/83/456258683.db2.gz ZWUVJLBXUHFQFD-HNNXBMFYSA-N 2 2 335.517 3.153 20 0 EGADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2ccon2)CC1 ZINC000301981622 456264067 /nfs/dbraw/zinc/26/40/67/456264067.db2.gz AEIGMVPYAAJBIB-UHFFFAOYSA-N 2 2 336.439 3.416 20 0 EGADLP Cc1c(Cl)cccc1N1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000297646030 456269901 /nfs/dbraw/zinc/26/99/01/456269901.db2.gz MYTZPHISVVQIKT-UHFFFAOYSA-N 2 2 332.879 3.137 20 0 EGADLP Cc1c(Cl)cccc1N1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000297646030 456269903 /nfs/dbraw/zinc/26/99/03/456269903.db2.gz MYTZPHISVVQIKT-UHFFFAOYSA-N 2 2 332.879 3.137 20 0 EGADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070429 456279417 /nfs/dbraw/zinc/27/94/17/456279417.db2.gz DYCSMMQENONMQJ-HNAYVOBHSA-N 2 2 326.488 3.117 20 0 EGADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070429 456279418 /nfs/dbraw/zinc/27/94/18/456279418.db2.gz DYCSMMQENONMQJ-HNAYVOBHSA-N 2 2 326.488 3.117 20 0 EGADLP COc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336790990 456307763 /nfs/dbraw/zinc/30/77/63/456307763.db2.gz MLPKVWVTTJSPTA-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336790990 456307768 /nfs/dbraw/zinc/30/77/68/456307768.db2.gz MLPKVWVTTJSPTA-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336790990 456307774 /nfs/dbraw/zinc/30/77/74/456307774.db2.gz MLPKVWVTTJSPTA-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336790990 456307779 /nfs/dbraw/zinc/30/77/79/456307779.db2.gz MLPKVWVTTJSPTA-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336790992 456309028 /nfs/dbraw/zinc/30/90/28/456309028.db2.gz MLPKVWVTTJSPTA-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336790992 456309030 /nfs/dbraw/zinc/30/90/30/456309030.db2.gz MLPKVWVTTJSPTA-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336790992 456309033 /nfs/dbraw/zinc/30/90/33/456309033.db2.gz MLPKVWVTTJSPTA-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336790992 456309036 /nfs/dbraw/zinc/30/90/36/456309036.db2.gz MLPKVWVTTJSPTA-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)[C@H](C)C1 ZINC000290387393 456313115 /nfs/dbraw/zinc/31/31/15/456313115.db2.gz OJRNVDCGRFCBRJ-UYAOXDASSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)[C@H](C)C1 ZINC000290387393 456313122 /nfs/dbraw/zinc/31/31/22/456313122.db2.gz OJRNVDCGRFCBRJ-UYAOXDASSA-N 3 2 333.520 3.049 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc2[nH+]ccn21 ZINC000342934041 456323170 /nfs/dbraw/zinc/32/31/70/456323170.db2.gz QEDPLALJINQMDX-ZWKOTPCHSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc2[nH+]ccn21 ZINC000342934041 456323174 /nfs/dbraw/zinc/32/31/74/456323174.db2.gz QEDPLALJINQMDX-ZWKOTPCHSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000290484564 456340120 /nfs/dbraw/zinc/34/01/20/456340120.db2.gz XNAPLYZAKQTCDS-MRXNPFEDSA-N 2 2 344.528 3.222 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000290484564 456340129 /nfs/dbraw/zinc/34/01/29/456340129.db2.gz XNAPLYZAKQTCDS-MRXNPFEDSA-N 2 2 344.528 3.222 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000352835184 456350153 /nfs/dbraw/zinc/35/01/53/456350153.db2.gz KHEDAXVVHHAGQO-LRGNLBRXSA-N 2 2 328.500 3.204 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000352835184 456350157 /nfs/dbraw/zinc/35/01/57/456350157.db2.gz KHEDAXVVHHAGQO-LRGNLBRXSA-N 2 2 328.500 3.204 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479838 456484878 /nfs/dbraw/zinc/48/48/78/456484878.db2.gz NGDOKOUFRXFLIU-FPOVZHCZSA-N 3 2 344.547 3.148 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479838 456484886 /nfs/dbraw/zinc/48/48/86/456484886.db2.gz NGDOKOUFRXFLIU-FPOVZHCZSA-N 3 2 344.547 3.148 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302905972 456434113 /nfs/dbraw/zinc/43/41/13/456434113.db2.gz SYAJLMGVGBXUEI-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302905972 456434118 /nfs/dbraw/zinc/43/41/18/456434118.db2.gz SYAJLMGVGBXUEI-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000302915322 456436631 /nfs/dbraw/zinc/43/66/31/456436631.db2.gz VOLUOEWDWVROJS-SJLPKXTDSA-N 2 2 337.471 3.152 20 0 EGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000302915322 456436641 /nfs/dbraw/zinc/43/66/41/456436641.db2.gz VOLUOEWDWVROJS-SJLPKXTDSA-N 2 2 337.471 3.152 20 0 EGADLP Cc1ccc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000302914391 456436695 /nfs/dbraw/zinc/43/66/95/456436695.db2.gz VBDHICNGFLZYCE-INIZCTEOSA-N 2 2 341.459 3.227 20 0 EGADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847798 456445000 /nfs/dbraw/zinc/44/50/00/456445000.db2.gz ZGFVKQXVHMMVSQ-QAPCUYQASA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847798 456445005 /nfs/dbraw/zinc/44/50/05/456445005.db2.gz ZGFVKQXVHMMVSQ-QAPCUYQASA-N 2 2 340.895 3.118 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000337648281 456455325 /nfs/dbraw/zinc/45/53/25/456455325.db2.gz JRDMITYMVSAPAM-HXUWFJFHSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000337648281 456455332 /nfs/dbraw/zinc/45/53/32/456455332.db2.gz JRDMITYMVSAPAM-HXUWFJFHSA-N 2 2 345.531 3.449 20 0 EGADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000343183178 456456996 /nfs/dbraw/zinc/45/69/96/456456996.db2.gz LVZXASMLGLPNJW-UHFFFAOYSA-N 2 2 340.471 3.253 20 0 EGADLP CCOC1(C)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000298443191 456458461 /nfs/dbraw/zinc/45/84/61/456458461.db2.gz ZCLYQSQTKVHSJV-HXUWFJFHSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC1(C)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000298443191 456458468 /nfs/dbraw/zinc/45/84/68/456458468.db2.gz ZCLYQSQTKVHSJV-HXUWFJFHSA-N 2 2 346.515 3.169 20 0 EGADLP CC(C)[NH+]1CCN(c2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)CC1 ZINC000348103540 456483803 /nfs/dbraw/zinc/48/38/03/456483803.db2.gz FQQOGWDEXXHJEI-UHFFFAOYSA-N 2 2 336.443 3.232 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1c[nH]c2nccnc12 ZINC000290928114 456470142 /nfs/dbraw/zinc/47/01/42/456470142.db2.gz ROVQSURGTBWMPF-SFHVURJKSA-N 2 2 337.471 3.204 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1c[nH]c2nccnc12 ZINC000290928114 456470147 /nfs/dbraw/zinc/47/01/47/456470147.db2.gz ROVQSURGTBWMPF-SFHVURJKSA-N 2 2 337.471 3.204 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H](C)C1 ZINC000340490836 456488775 /nfs/dbraw/zinc/48/87/75/456488775.db2.gz SGJXMUXUCODYBI-SCLBCKFNSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H](C)C1 ZINC000340490836 456488780 /nfs/dbraw/zinc/48/87/80/456488780.db2.gz SGJXMUXUCODYBI-SCLBCKFNSA-N 2 2 344.421 3.331 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000291017879 456499034 /nfs/dbraw/zinc/49/90/34/456499034.db2.gz GGMRXRZRIDJEDQ-LJQANCHMSA-N 2 2 348.462 3.210 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC000348128430 456503414 /nfs/dbraw/zinc/50/34/14/456503414.db2.gz VMYAVPIOTJQMEH-SFHVURJKSA-N 2 2 343.471 3.211 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC000348128430 456503420 /nfs/dbraw/zinc/50/34/20/456503420.db2.gz VMYAVPIOTJQMEH-SFHVURJKSA-N 2 2 343.471 3.211 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)oc4ccccc43)CC2)c1 ZINC000353284161 456609120 /nfs/dbraw/zinc/60/91/20/456609120.db2.gz SULIKDMHXCYNLR-UHFFFAOYSA-N 2 2 337.423 3.467 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000348309946 456613573 /nfs/dbraw/zinc/61/35/73/456613573.db2.gz TXXUOFJYSRDWIF-OAHLLOKOSA-N 2 2 339.443 3.296 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000348315089 456617654 /nfs/dbraw/zinc/61/76/54/456617654.db2.gz CCCUJMBULCLEFW-VLIAUNLRSA-N 2 2 341.430 3.297 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H](C)C1 ZINC000343476861 456649416 /nfs/dbraw/zinc/64/94/16/456649416.db2.gz OBQHRDQRWRTMID-KXBFYZLASA-N 2 2 329.488 3.245 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)[C@@H](C)C1 ZINC000343476861 456649422 /nfs/dbraw/zinc/64/94/22/456649422.db2.gz OBQHRDQRWRTMID-KXBFYZLASA-N 2 2 329.488 3.245 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000348414775 456674540 /nfs/dbraw/zinc/67/45/40/456674540.db2.gz QAVYPOAGEYHXKR-VQTJNVASSA-N 2 2 328.431 3.218 20 0 EGADLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338228920 456719387 /nfs/dbraw/zinc/71/93/87/456719387.db2.gz ZPEBKXHSJJJWEK-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338228920 456719390 /nfs/dbraw/zinc/71/93/90/456719390.db2.gz ZPEBKXHSJJJWEK-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000343581724 456722173 /nfs/dbraw/zinc/72/21/73/456722173.db2.gz NNMCZLQMMRKFLW-MRXNPFEDSA-N 2 2 349.438 3.271 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000343584037 456723115 /nfs/dbraw/zinc/72/31/15/456723115.db2.gz ZRGNOLYQMJRGDS-KRWDZBQOSA-N 2 2 339.439 3.478 20 0 EGADLP CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000343584037 456723116 /nfs/dbraw/zinc/72/31/16/456723116.db2.gz ZRGNOLYQMJRGDS-KRWDZBQOSA-N 2 2 339.439 3.478 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)c[nH+]c12 ZINC000343586292 456726580 /nfs/dbraw/zinc/72/65/80/456726580.db2.gz ZFKXEOQFWOXHIM-AWEZNQCLSA-N 2 2 334.423 3.378 20 0 EGADLP Cc1nnsc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000291709184 456729005 /nfs/dbraw/zinc/72/90/05/456729005.db2.gz LBFKWFSYONLBFE-UHFFFAOYSA-N 2 2 336.892 3.254 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000277220173 456730600 /nfs/dbraw/zinc/73/06/00/456730600.db2.gz NVWYJYLEYGFUSX-QGZVFWFLSA-N 2 2 338.499 3.277 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000277220173 456730606 /nfs/dbraw/zinc/73/06/06/456730606.db2.gz NVWYJYLEYGFUSX-QGZVFWFLSA-N 2 2 338.499 3.277 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343601999 456736404 /nfs/dbraw/zinc/73/64/04/456736404.db2.gz MXRQDKGJEAPVAW-YFVAEKQCSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343601999 456736414 /nfs/dbraw/zinc/73/64/14/456736414.db2.gz MXRQDKGJEAPVAW-YFVAEKQCSA-N 2 2 345.531 3.070 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000348529608 456740494 /nfs/dbraw/zinc/74/04/94/456740494.db2.gz FVCYNEILDDUOCV-HNNXBMFYSA-N 2 2 339.443 3.296 20 0 EGADLP C[C@@H]([NH2+]CCCO[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338290378 456749791 /nfs/dbraw/zinc/74/97/91/456749791.db2.gz RWOKWQZCXSPKBX-APWZRJJASA-N 2 2 329.444 3.456 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000353549575 456751696 /nfs/dbraw/zinc/75/16/96/456751696.db2.gz KEMUKKZTVUMGSQ-UHFFFAOYSA-N 2 2 328.456 3.211 20 0 EGADLP C[NH+](CCC[N@H+](C)CCc1ccc2c(c1)CCO2)Cc1ccco1 ZINC000353549575 456751703 /nfs/dbraw/zinc/75/17/03/456751703.db2.gz KEMUKKZTVUMGSQ-UHFFFAOYSA-N 2 2 328.456 3.211 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1ccc2c(c1)CCO2 ZINC000353549575 456751708 /nfs/dbraw/zinc/75/17/08/456751708.db2.gz KEMUKKZTVUMGSQ-UHFFFAOYSA-N 2 2 328.456 3.211 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1ccc2c(c1)CCO2 ZINC000353549575 456751714 /nfs/dbraw/zinc/75/17/14/456751714.db2.gz KEMUKKZTVUMGSQ-UHFFFAOYSA-N 2 2 328.456 3.211 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280992 456757135 /nfs/dbraw/zinc/75/71/35/456757135.db2.gz SJNMVDLHMXXGTH-ICSRJNTNSA-N 2 2 349.494 3.055 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280992 456757140 /nfs/dbraw/zinc/75/71/40/456757140.db2.gz SJNMVDLHMXXGTH-ICSRJNTNSA-N 2 2 349.494 3.055 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368540 456797253 /nfs/dbraw/zinc/79/72/53/456797253.db2.gz XMDPJAWZNDACJC-OALUTQOASA-N 2 2 343.515 3.133 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368540 456797254 /nfs/dbraw/zinc/79/72/54/456797254.db2.gz XMDPJAWZNDACJC-OALUTQOASA-N 2 2 343.515 3.133 20 0 EGADLP c1cn2c(cccc2C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000348646185 456799175 /nfs/dbraw/zinc/79/91/75/456799175.db2.gz PAHWNTMFXAAZMC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2c(cccc2C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000348646185 456799182 /nfs/dbraw/zinc/79/91/82/456799182.db2.gz PAHWNTMFXAAZMC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000348646185 456799189 /nfs/dbraw/zinc/79/91/89/456799189.db2.gz PAHWNTMFXAAZMC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000348646185 456799193 /nfs/dbraw/zinc/79/91/93/456799193.db2.gz PAHWNTMFXAAZMC-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP CSC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC[NH+](C)CC1 ZINC000353610460 456801321 /nfs/dbraw/zinc/80/13/21/456801321.db2.gz MWDIHXBJADEBCS-MRXNPFEDSA-N 3 2 344.528 3.350 20 0 EGADLP CC(C)CCCNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000338436088 456819471 /nfs/dbraw/zinc/81/94/71/456819471.db2.gz COBOYUZKGAOILQ-UHFFFAOYSA-N 2 2 330.476 3.286 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@@H]1C ZINC000353753051 456891006 /nfs/dbraw/zinc/89/10/06/456891006.db2.gz UVEQNUPSNLQINI-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@@H]1C ZINC000353753051 456891008 /nfs/dbraw/zinc/89/10/08/456891008.db2.gz UVEQNUPSNLQINI-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@@H]1C ZINC000353753051 456891010 /nfs/dbraw/zinc/89/10/10/456891010.db2.gz UVEQNUPSNLQINI-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@@H]1C ZINC000353753051 456891013 /nfs/dbraw/zinc/89/10/13/456891013.db2.gz UVEQNUPSNLQINI-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1OC(C)C ZINC000349184357 456906158 /nfs/dbraw/zinc/90/61/58/456906158.db2.gz HWPOEGQVPUNOMT-MRXNPFEDSA-N 2 2 329.444 3.205 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1OC(C)C ZINC000349184357 456906162 /nfs/dbraw/zinc/90/61/62/456906162.db2.gz HWPOEGQVPUNOMT-MRXNPFEDSA-N 2 2 329.444 3.205 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000345122844 456933307 /nfs/dbraw/zinc/93/33/07/456933307.db2.gz AKYHSNGFHDYFJA-GOEBONIOSA-N 2 2 331.485 3.034 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353948572 456975718 /nfs/dbraw/zinc/97/57/18/456975718.db2.gz VUIBGVPUJADGQG-NEPJUHHUSA-N 2 2 332.366 3.166 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353948572 456975720 /nfs/dbraw/zinc/97/57/20/456975720.db2.gz VUIBGVPUJADGQG-NEPJUHHUSA-N 2 2 332.366 3.166 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000341890714 456988277 /nfs/dbraw/zinc/98/82/77/456988277.db2.gz QFMSBJWOWYSDJT-JYAXBFRTSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890714 456988281 /nfs/dbraw/zinc/98/82/81/456988281.db2.gz QFMSBJWOWYSDJT-JYAXBFRTSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890714 456988284 /nfs/dbraw/zinc/98/82/84/456988284.db2.gz QFMSBJWOWYSDJT-JYAXBFRTSA-N 3 2 347.547 3.014 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[NH+](Cc4cccs4)CC3)n2c1 ZINC000349578927 456990574 /nfs/dbraw/zinc/99/05/74/456990574.db2.gz SUZHCPDPWCYGHT-UHFFFAOYSA-N 2 2 346.887 3.367 20 0 EGADLP c1ccc(C2(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)CCC2)nc1 ZINC000353996255 456994614 /nfs/dbraw/zinc/99/46/14/456994614.db2.gz ODVABXOXFMFUEP-UHFFFAOYSA-N 2 2 336.483 3.153 20 0 EGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353999266 456997846 /nfs/dbraw/zinc/99/78/46/456997846.db2.gz ZSPXQFLXFAXURG-SCIMBWJRSA-N 2 2 337.552 3.120 20 0 EGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353999266 456997849 /nfs/dbraw/zinc/99/78/49/456997849.db2.gz ZSPXQFLXFAXURG-SCIMBWJRSA-N 2 2 337.552 3.120 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018907 457014021 /nfs/dbraw/zinc/01/40/21/457014021.db2.gz SKWOSPUWTHFSPH-SSKCKEOISA-N 2 2 343.298 3.489 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018907 457014027 /nfs/dbraw/zinc/01/40/27/457014027.db2.gz SKWOSPUWTHFSPH-SSKCKEOISA-N 2 2 343.298 3.489 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346501110 457047279 /nfs/dbraw/zinc/04/72/79/457047279.db2.gz ZIEHLLMPGTZIRA-CXAGYDPISA-N 2 2 345.830 3.215 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346501110 457047284 /nfs/dbraw/zinc/04/72/84/457047284.db2.gz ZIEHLLMPGTZIRA-CXAGYDPISA-N 2 2 345.830 3.215 20 0 EGADLP Cc1sccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000339371217 457071990 /nfs/dbraw/zinc/07/19/90/457071990.db2.gz DNRDLENRVSAERH-IBGZPJMESA-N 2 2 330.497 3.437 20 0 EGADLP Cc1sccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000339371217 457071997 /nfs/dbraw/zinc/07/19/97/457071997.db2.gz DNRDLENRVSAERH-IBGZPJMESA-N 2 2 330.497 3.437 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000359468367 457086579 /nfs/dbraw/zinc/08/65/79/457086579.db2.gz VNVOYUMWXNYULN-KZNAEPCWSA-N 2 2 343.519 3.309 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339425092 457107968 /nfs/dbraw/zinc/10/79/68/457107968.db2.gz DFTSHVFYGKZOLR-FQEVSTJZSA-N 2 2 330.472 3.206 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339425092 457107972 /nfs/dbraw/zinc/10/79/72/457107972.db2.gz DFTSHVFYGKZOLR-FQEVSTJZSA-N 2 2 330.472 3.206 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339425092 457107978 /nfs/dbraw/zinc/10/79/78/457107978.db2.gz DFTSHVFYGKZOLR-FQEVSTJZSA-N 2 2 330.472 3.206 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339425092 457107984 /nfs/dbraw/zinc/10/79/84/457107984.db2.gz DFTSHVFYGKZOLR-FQEVSTJZSA-N 2 2 330.472 3.206 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346693092 457114992 /nfs/dbraw/zinc/11/49/92/457114992.db2.gz KSFGOILMTZJOCX-MNOVXSKESA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346693092 457114995 /nfs/dbraw/zinc/11/49/95/457114995.db2.gz KSFGOILMTZJOCX-MNOVXSKESA-N 2 2 329.307 3.340 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433392 457116762 /nfs/dbraw/zinc/11/67/62/457116762.db2.gz QLSJHPQIGKWHCU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433392 457116766 /nfs/dbraw/zinc/11/67/66/457116766.db2.gz QLSJHPQIGKWHCU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433392 457116770 /nfs/dbraw/zinc/11/67/70/457116770.db2.gz QLSJHPQIGKWHCU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433392 457116774 /nfs/dbraw/zinc/11/67/74/457116774.db2.gz QLSJHPQIGKWHCU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433453 457116829 /nfs/dbraw/zinc/11/68/29/457116829.db2.gz KBWKEWYYPIVPBQ-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433453 457116832 /nfs/dbraw/zinc/11/68/32/457116832.db2.gz KBWKEWYYPIVPBQ-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433453 457116834 /nfs/dbraw/zinc/11/68/34/457116834.db2.gz KBWKEWYYPIVPBQ-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433453 457116838 /nfs/dbraw/zinc/11/68/38/457116838.db2.gz KBWKEWYYPIVPBQ-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346698066 457117346 /nfs/dbraw/zinc/11/73/46/457117346.db2.gz JAUBFRAKWPZRHF-SOLBZPMBSA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346698066 457117350 /nfs/dbraw/zinc/11/73/50/457117350.db2.gz JAUBFRAKWPZRHF-SOLBZPMBSA-N 2 2 332.488 3.359 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435820 457118316 /nfs/dbraw/zinc/11/83/16/457118316.db2.gz DNRIGDJRKYCNAA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435820 457118318 /nfs/dbraw/zinc/11/83/18/457118318.db2.gz DNRIGDJRKYCNAA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435820 457118321 /nfs/dbraw/zinc/11/83/21/457118321.db2.gz DNRIGDJRKYCNAA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435820 457118322 /nfs/dbraw/zinc/11/83/22/457118322.db2.gz DNRIGDJRKYCNAA-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2c1 ZINC000339437506 457118437 /nfs/dbraw/zinc/11/84/37/457118437.db2.gz KVTLBCLWFQXIMC-SFHVURJKSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2c1 ZINC000339437506 457118438 /nfs/dbraw/zinc/11/84/38/457118438.db2.gz KVTLBCLWFQXIMC-SFHVURJKSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)sc2c1 ZINC000339437506 457118440 /nfs/dbraw/zinc/11/84/40/457118440.db2.gz KVTLBCLWFQXIMC-SFHVURJKSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)sc2c1 ZINC000339437506 457118443 /nfs/dbraw/zinc/11/84/43/457118443.db2.gz KVTLBCLWFQXIMC-SFHVURJKSA-N 2 2 331.485 3.223 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339440184 457120132 /nfs/dbraw/zinc/12/01/32/457120132.db2.gz NFNGYYDIPQCGGZ-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339440184 457120136 /nfs/dbraw/zinc/12/01/36/457120136.db2.gz NFNGYYDIPQCGGZ-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339440184 457120142 /nfs/dbraw/zinc/12/01/42/457120142.db2.gz NFNGYYDIPQCGGZ-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339440184 457120145 /nfs/dbraw/zinc/12/01/45/457120145.db2.gz NFNGYYDIPQCGGZ-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CCC1 ZINC000342134571 457128035 /nfs/dbraw/zinc/12/80/35/457128035.db2.gz KOKXKWBBVHGSBR-UHFFFAOYSA-N 2 2 331.847 3.285 20 0 EGADLP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000347006114 457195583 /nfs/dbraw/zinc/19/55/83/457195583.db2.gz MIPBOLSORUZWDX-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000347006114 457195590 /nfs/dbraw/zinc/19/55/90/457195590.db2.gz MIPBOLSORUZWDX-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000347006114 457195597 /nfs/dbraw/zinc/19/55/97/457195597.db2.gz MIPBOLSORUZWDX-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000347006114 457195601 /nfs/dbraw/zinc/19/56/01/457195601.db2.gz MIPBOLSORUZWDX-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](CC4CC4)C3)c2cc1C ZINC000339672159 457204036 /nfs/dbraw/zinc/20/40/36/457204036.db2.gz GMMYKZAAERWHHW-ZWKOTPCHSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](CC4CC4)C3)c2cc1C ZINC000339672159 457204046 /nfs/dbraw/zinc/20/40/46/457204046.db2.gz GMMYKZAAERWHHW-ZWKOTPCHSA-N 2 2 327.472 3.136 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000347075349 457217056 /nfs/dbraw/zinc/21/70/56/457217056.db2.gz HDMQWGXYFWDDPO-HNNXBMFYSA-N 2 2 341.436 3.353 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000347075349 457217063 /nfs/dbraw/zinc/21/70/63/457217063.db2.gz HDMQWGXYFWDDPO-HNNXBMFYSA-N 2 2 341.436 3.353 20 0 EGADLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc[nH+]1 ZINC000347122571 457240710 /nfs/dbraw/zinc/24/07/10/457240710.db2.gz CHFQQDXXXBJRHN-UHFFFAOYSA-N 2 2 334.414 3.446 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1)CCC2 ZINC000360080250 457244365 /nfs/dbraw/zinc/24/43/65/457244365.db2.gz VEJHOGGULKXIDZ-NVXWUHKLSA-N 2 2 340.471 3.100 20 0 EGADLP Cc1ccc(CCC[NH2+]CCCC(=O)N2Cc3ccccc3C2)c[nH+]1 ZINC000354504786 457261313 /nfs/dbraw/zinc/26/13/13/457261313.db2.gz PIKPPOJCNUTVIE-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385550 457273827 /nfs/dbraw/zinc/27/38/27/457273827.db2.gz NDOKCWNONHAGCA-MRXNPFEDSA-N 2 2 342.405 3.125 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385550 457273831 /nfs/dbraw/zinc/27/38/31/457273831.db2.gz NDOKCWNONHAGCA-MRXNPFEDSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385550 457273834 /nfs/dbraw/zinc/27/38/34/457273834.db2.gz NDOKCWNONHAGCA-MRXNPFEDSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)C1CC1 ZINC000351385550 457273838 /nfs/dbraw/zinc/27/38/38/457273838.db2.gz NDOKCWNONHAGCA-MRXNPFEDSA-N 2 2 342.405 3.125 20 0 EGADLP C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347180579 457274525 /nfs/dbraw/zinc/27/45/25/457274525.db2.gz UXERIECSIKNJGG-BYICEURKSA-N 2 2 330.863 3.241 20 0 EGADLP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347180579 457274528 /nfs/dbraw/zinc/27/45/28/457274528.db2.gz UXERIECSIKNJGG-BYICEURKSA-N 2 2 330.863 3.241 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000354541111 457279247 /nfs/dbraw/zinc/27/92/47/457279247.db2.gz OQXGUUQFAYQOLF-KRWDZBQOSA-N 2 2 331.435 3.311 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085347 457314684 /nfs/dbraw/zinc/31/46/84/457314684.db2.gz SKXUCJVJLRMSKI-ZFWWWQNUSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085347 457314686 /nfs/dbraw/zinc/31/46/86/457314686.db2.gz SKXUCJVJLRMSKI-ZFWWWQNUSA-N 2 2 346.272 3.039 20 0 EGADLP C[N@H+](CCCc1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000347294035 457336412 /nfs/dbraw/zinc/33/64/12/457336412.db2.gz GPYMTRCYWFWFQZ-UHFFFAOYSA-N 2 2 338.499 3.048 20 0 EGADLP C[N@@H+](CCCc1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000347294035 457336419 /nfs/dbraw/zinc/33/64/19/457336419.db2.gz GPYMTRCYWFWFQZ-UHFFFAOYSA-N 2 2 338.499 3.048 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357132874 457339054 /nfs/dbraw/zinc/33/90/54/457339054.db2.gz NSERDMXYARAADO-DGCLKSJQSA-N 2 2 341.318 3.212 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357132874 457339058 /nfs/dbraw/zinc/33/90/58/457339058.db2.gz NSERDMXYARAADO-DGCLKSJQSA-N 2 2 341.318 3.212 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000378186121 457381194 /nfs/dbraw/zinc/38/11/94/457381194.db2.gz VYSPWVYRYWJYPW-RHSMWYFYSA-N 2 2 343.471 3.307 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000352488210 457409353 /nfs/dbraw/zinc/40/93/53/457409353.db2.gz NLTXZUDKEZRZRP-JFIYKMOQSA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000352488210 457409363 /nfs/dbraw/zinc/40/93/63/457409363.db2.gz NLTXZUDKEZRZRP-JFIYKMOQSA-N 2 2 332.488 3.359 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC000360894764 457415722 /nfs/dbraw/zinc/41/57/22/457415722.db2.gz QSEYTZJWIQMZNU-ICSRJNTNSA-N 2 2 345.531 3.205 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC000360894764 457415730 /nfs/dbraw/zinc/41/57/30/457415730.db2.gz QSEYTZJWIQMZNU-ICSRJNTNSA-N 2 2 345.531 3.205 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000386482321 457428756 /nfs/dbraw/zinc/42/87/56/457428756.db2.gz WJAPLDPWNCXEOR-SFHVURJKSA-N 2 2 332.451 3.242 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000386482321 457428765 /nfs/dbraw/zinc/42/87/65/457428765.db2.gz WJAPLDPWNCXEOR-SFHVURJKSA-N 2 2 332.451 3.242 20 0 EGADLP COCc1cc(N2CCC(C[NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000357313627 457439930 /nfs/dbraw/zinc/43/99/30/457439930.db2.gz KLZBUKAEBUASEN-UHFFFAOYSA-N 2 2 331.435 3.298 20 0 EGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363782280 457445252 /nfs/dbraw/zinc/44/52/52/457445252.db2.gz KNAINJMJLLBLPD-CPUCHLNUSA-N 2 2 336.863 3.007 20 0 EGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363782280 457445256 /nfs/dbraw/zinc/44/52/56/457445256.db2.gz KNAINJMJLLBLPD-CPUCHLNUSA-N 2 2 336.863 3.007 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352535672 457446307 /nfs/dbraw/zinc/44/63/07/457446307.db2.gz UGKYFUVCNVLWTB-CQSZACIVSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352535672 457446311 /nfs/dbraw/zinc/44/63/11/457446311.db2.gz UGKYFUVCNVLWTB-CQSZACIVSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000360942268 457449470 /nfs/dbraw/zinc/44/94/70/457449470.db2.gz OHPWRODIVZMVMD-KRWDZBQOSA-N 3 2 342.462 3.084 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000352545898 457456117 /nfs/dbraw/zinc/45/61/17/457456117.db2.gz NBJJCHTXOJYJNM-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000352545898 457456121 /nfs/dbraw/zinc/45/61/21/457456121.db2.gz NBJJCHTXOJYJNM-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000356123662 457466570 /nfs/dbraw/zinc/46/65/70/457466570.db2.gz ITBYVJWHAALDKU-WDEREUQCSA-N 2 2 335.250 3.240 20 0 EGADLP COc1ccc(F)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000360985265 457490145 /nfs/dbraw/zinc/49/01/45/457490145.db2.gz UIONZGVZMUPIAN-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP CCOC(C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1)OCC ZINC000370039795 457513590 /nfs/dbraw/zinc/51/35/90/457513590.db2.gz DIWWCMBMCMBVJB-UHFFFAOYSA-N 2 2 331.460 3.381 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401046997 457521685 /nfs/dbraw/zinc/52/16/85/457521685.db2.gz RKVFDRXKUNZZRX-BQJUDKOJSA-N 3 2 329.532 3.121 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401046997 457521690 /nfs/dbraw/zinc/52/16/90/457521690.db2.gz RKVFDRXKUNZZRX-BQJUDKOJSA-N 3 2 329.532 3.121 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000342789683 457531083 /nfs/dbraw/zinc/53/10/83/457531083.db2.gz LSCRHDKBVVXDAO-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2c1 ZINC000342789683 457531086 /nfs/dbraw/zinc/53/10/86/457531086.db2.gz LSCRHDKBVVXDAO-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1c(F)cc(C)cc1F ZINC000425390522 457532798 /nfs/dbraw/zinc/53/27/98/457532798.db2.gz YSVCRXUACVYOQP-UHFFFAOYSA-N 2 2 339.474 3.123 20 0 EGADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1c(F)cc(C)cc1F ZINC000425390522 457532805 /nfs/dbraw/zinc/53/28/05/457532805.db2.gz YSVCRXUACVYOQP-UHFFFAOYSA-N 2 2 339.474 3.123 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361042570 457536244 /nfs/dbraw/zinc/53/62/44/457536244.db2.gz AEVZYHKDRAVYIK-GOSISDBHSA-N 2 2 346.519 3.166 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361055524 457549790 /nfs/dbraw/zinc/54/97/90/457549790.db2.gz FIYRRVXIAPZWIW-GOSISDBHSA-N 2 2 335.492 3.353 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063520 457558456 /nfs/dbraw/zinc/55/84/56/457558456.db2.gz RSPAZXHWRCJAIS-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073835 457564495 /nfs/dbraw/zinc/56/44/95/457564495.db2.gz NMCRAPLOAHWVOI-DLBZAZTESA-N 2 2 334.508 3.069 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076777 457567177 /nfs/dbraw/zinc/56/71/77/457567177.db2.gz SCEGWHYEESVMTA-WMZOPIPTSA-N 2 2 341.503 3.347 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076777 457567185 /nfs/dbraw/zinc/56/71/85/457567185.db2.gz SCEGWHYEESVMTA-WMZOPIPTSA-N 2 2 341.503 3.347 20 0 EGADLP CCC[C@H](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370163452 457569787 /nfs/dbraw/zinc/56/97/87/457569787.db2.gz QBGHABMQHHIBPY-DLBZAZTESA-N 2 2 346.519 3.200 20 0 EGADLP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352738395 457571440 /nfs/dbraw/zinc/57/14/40/457571440.db2.gz MNDXMBFGUHVHED-ACJLOTCBSA-N 2 2 349.500 3.079 20 0 EGADLP O=[S@@](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000361089861 457576834 /nfs/dbraw/zinc/57/68/34/457576834.db2.gz YOTHUPQNFYFEOL-DEOSSOPVSA-N 2 2 345.512 3.183 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(C(=O)OC)CCC1 ZINC000361110498 457587329 /nfs/dbraw/zinc/58/73/29/457587329.db2.gz WEFLVIZTTRKOLY-QGZVFWFLSA-N 2 2 327.428 3.084 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C)[NH+]3CCSCC3)c2)[nH+]c1C ZINC000361190215 457638219 /nfs/dbraw/zinc/63/82/19/457638219.db2.gz KIPGMDMTUQHSRU-CQSZACIVSA-N 2 2 344.484 3.069 20 0 EGADLP C[NH+](C)Cc1cnc(CNc2cc[nH+]c(OCC(F)(F)F)c2)s1 ZINC000357700656 457661032 /nfs/dbraw/zinc/66/10/32/457661032.db2.gz FUWPPYYYWRNDPL-UHFFFAOYSA-N 2 2 346.378 3.153 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000374573679 457663523 /nfs/dbraw/zinc/66/35/23/457663523.db2.gz DELAIYRPKCHXHE-RHSMWYFYSA-N 2 2 326.444 3.378 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH+]1 ZINC000357807790 457697758 /nfs/dbraw/zinc/69/77/58/457697758.db2.gz AVAZULXYKTTWAV-MSOLQXFVSA-N 2 2 347.466 3.225 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH+]1 ZINC000357807790 457697759 /nfs/dbraw/zinc/69/77/59/457697759.db2.gz AVAZULXYKTTWAV-MSOLQXFVSA-N 2 2 347.466 3.225 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(-n2cncn2)cc1 ZINC000361482312 457745312 /nfs/dbraw/zinc/74/53/12/457745312.db2.gz WPDPDSKYBIXAAQ-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649178 457767209 /nfs/dbraw/zinc/76/72/09/457767209.db2.gz MPXWIBNAZJYXSL-LRDDRELGSA-N 2 2 337.826 3.126 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649178 457767216 /nfs/dbraw/zinc/76/72/16/457767216.db2.gz MPXWIBNAZJYXSL-LRDDRELGSA-N 2 2 337.826 3.126 20 0 EGADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000433181560 457770678 /nfs/dbraw/zinc/77/06/78/457770678.db2.gz YMXJNFJRQGOTPX-MRXNPFEDSA-N 2 2 326.444 3.056 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361676043 457817911 /nfs/dbraw/zinc/81/79/11/457817911.db2.gz QZNNKQNRFIDDOK-ZWKOTPCHSA-N 2 2 349.906 3.030 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361676043 457817914 /nfs/dbraw/zinc/81/79/14/457817914.db2.gz QZNNKQNRFIDDOK-ZWKOTPCHSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160605 457825064 /nfs/dbraw/zinc/82/50/64/457825064.db2.gz SXEZNXRCVXBYPS-DOMZBBRYSA-N 2 2 334.414 3.046 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160605 457825070 /nfs/dbraw/zinc/82/50/70/457825070.db2.gz SXEZNXRCVXBYPS-DOMZBBRYSA-N 2 2 334.414 3.046 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)c[nH+]1 ZINC000371318440 457862980 /nfs/dbraw/zinc/86/29/80/457862980.db2.gz WTIVGKFJSHBUFR-QZTJIDSGSA-N 2 2 344.503 3.239 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)c[nH+]1 ZINC000371318440 457862987 /nfs/dbraw/zinc/86/29/87/457862987.db2.gz WTIVGKFJSHBUFR-QZTJIDSGSA-N 2 2 344.503 3.239 20 0 EGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758211 457879080 /nfs/dbraw/zinc/87/90/80/457879080.db2.gz KHYSCYFKOQLBOK-FUHWJXTLSA-N 2 2 331.504 3.462 20 0 EGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758211 457879087 /nfs/dbraw/zinc/87/90/87/457879087.db2.gz KHYSCYFKOQLBOK-FUHWJXTLSA-N 2 2 331.504 3.462 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375366841 457899174 /nfs/dbraw/zinc/89/91/74/457899174.db2.gz MCDRTUITBJNALF-LRGNLBRXSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375366841 457899184 /nfs/dbraw/zinc/89/91/84/457899184.db2.gz MCDRTUITBJNALF-LRGNLBRXSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884727 457929753 /nfs/dbraw/zinc/92/97/53/457929753.db2.gz FLXLTOOXCIZGJK-OXQOHEQNSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884727 457929761 /nfs/dbraw/zinc/92/97/61/457929761.db2.gz FLXLTOOXCIZGJK-OXQOHEQNSA-N 2 2 328.431 3.113 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361893478 457935972 /nfs/dbraw/zinc/93/59/72/457935972.db2.gz QPWXKGJJNXBEQW-HQRMLTQVSA-N 2 2 342.483 3.376 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361893478 457935977 /nfs/dbraw/zinc/93/59/77/457935977.db2.gz QPWXKGJJNXBEQW-HQRMLTQVSA-N 2 2 342.483 3.376 20 0 EGADLP CCCCCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427136274 457948971 /nfs/dbraw/zinc/94/89/71/457948971.db2.gz MZJFOCDJEQBRCH-ZWKOTPCHSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427136274 457948976 /nfs/dbraw/zinc/94/89/76/457948976.db2.gz MZJFOCDJEQBRCH-ZWKOTPCHSA-N 2 2 332.488 3.448 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358412037 457986736 /nfs/dbraw/zinc/98/67/36/457986736.db2.gz ZOVCIJKBSUWXKY-WCQYABFASA-N 2 2 327.266 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358412037 457986739 /nfs/dbraw/zinc/98/67/39/457986739.db2.gz ZOVCIJKBSUWXKY-WCQYABFASA-N 2 2 327.266 3.030 20 0 EGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970912 458026625 /nfs/dbraw/zinc/02/66/25/458026625.db2.gz NXHHPXQPIKQAHV-QMMLZNLJSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970912 458026632 /nfs/dbraw/zinc/02/66/32/458026632.db2.gz NXHHPXQPIKQAHV-QMMLZNLJSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970916 458027413 /nfs/dbraw/zinc/02/74/13/458027413.db2.gz NXHHPXQPIKQAHV-WMQCIHAUSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970916 458027421 /nfs/dbraw/zinc/02/74/21/458027421.db2.gz NXHHPXQPIKQAHV-WMQCIHAUSA-N 2 2 346.515 3.071 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC[C@@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736976 458042905 /nfs/dbraw/zinc/04/29/05/458042905.db2.gz MURKQQVFCPGSDW-YSIASYRMSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC[C@@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736976 458042913 /nfs/dbraw/zinc/04/29/13/458042913.db2.gz MURKQQVFCPGSDW-YSIASYRMSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC[C@@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736976 458042918 /nfs/dbraw/zinc/04/29/18/458042918.db2.gz MURKQQVFCPGSDW-YSIASYRMSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC[C@@H]2CCCCO2)[C@@H]1c1cnn(C)c1 ZINC000434736976 458042921 /nfs/dbraw/zinc/04/29/21/458042921.db2.gz MURKQQVFCPGSDW-YSIASYRMSA-N 2 2 348.535 3.084 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)C2 ZINC000427865325 458044919 /nfs/dbraw/zinc/04/49/19/458044919.db2.gz NIPSVOJHGCTYRX-CVEARBPZSA-N 2 2 346.272 3.108 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000427865328 458045617 /nfs/dbraw/zinc/04/56/17/458045617.db2.gz NIPSVOJHGCTYRX-JKSUJKDBSA-N 2 2 346.272 3.108 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000427856505 458045836 /nfs/dbraw/zinc/04/58/36/458045836.db2.gz GFRZKNNOZAQGQG-PWSUYJOCSA-N 2 2 325.334 3.289 20 0 EGADLP c1cn(CCC[N@@H+](CCCOc2ccccc2)C2CCOCC2)c[nH+]1 ZINC000362263087 458061153 /nfs/dbraw/zinc/06/11/53/458061153.db2.gz RICQWSVSUSYOER-UHFFFAOYSA-N 2 2 343.471 3.223 20 0 EGADLP c1cn(CCC[N@H+](CCCOc2ccccc2)C2CCOCC2)c[nH+]1 ZINC000362263087 458061158 /nfs/dbraw/zinc/06/11/58/458061158.db2.gz RICQWSVSUSYOER-UHFFFAOYSA-N 2 2 343.471 3.223 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428043828 458071374 /nfs/dbraw/zinc/07/13/74/458071374.db2.gz ZMINICPXLFBTJJ-ICSRJNTNSA-N 2 2 335.451 3.123 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428043828 458071381 /nfs/dbraw/zinc/07/13/81/458071381.db2.gz ZMINICPXLFBTJJ-ICSRJNTNSA-N 2 2 335.451 3.123 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@]1(C)CCCO1 ZINC000428251492 458107241 /nfs/dbraw/zinc/10/72/41/458107241.db2.gz ZYBCOYZDFLFKBJ-SJORKVTESA-N 2 2 326.550 3.285 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(C)n1-c1ccccc1)CCC2 ZINC000371901824 458113626 /nfs/dbraw/zinc/11/36/26/458113626.db2.gz FIMRTUNRZGDOHR-KRWDZBQOSA-N 2 2 335.455 3.353 20 0 EGADLP C[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1CC[NH2+]CC1 ZINC000435376649 458126692 /nfs/dbraw/zinc/12/66/92/458126692.db2.gz SJYNXTMZQMGBBQ-UHFFFAOYSA-N 2 2 338.499 3.409 20 0 EGADLP C[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1CC[NH2+]CC1 ZINC000435376649 458126700 /nfs/dbraw/zinc/12/67/00/458126700.db2.gz SJYNXTMZQMGBBQ-UHFFFAOYSA-N 2 2 338.499 3.409 20 0 EGADLP Cc1cc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000435423175 458143365 /nfs/dbraw/zinc/14/33/65/458143365.db2.gz PAMKMCIPRCVHCY-QGZVFWFLSA-N 2 2 344.528 3.243 20 0 EGADLP Cc1cc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000435423175 458143372 /nfs/dbraw/zinc/14/33/72/458143372.db2.gz PAMKMCIPRCVHCY-QGZVFWFLSA-N 2 2 344.528 3.243 20 0 EGADLP Cc1cc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000435436567 458146645 /nfs/dbraw/zinc/14/66/45/458146645.db2.gz GBNCRKCZVNVZMB-SFHVURJKSA-N 2 2 342.462 3.012 20 0 EGADLP Cc1cc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000435436567 458146647 /nfs/dbraw/zinc/14/66/47/458146647.db2.gz GBNCRKCZVNVZMB-SFHVURJKSA-N 2 2 342.462 3.012 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393446 458149272 /nfs/dbraw/zinc/14/92/72/458149272.db2.gz LEWOAYHJIYHOHL-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393446 458149277 /nfs/dbraw/zinc/14/92/77/458149277.db2.gz LEWOAYHJIYHOHL-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393446 458149282 /nfs/dbraw/zinc/14/92/82/458149282.db2.gz LEWOAYHJIYHOHL-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393446 458149290 /nfs/dbraw/zinc/14/92/90/458149290.db2.gz LEWOAYHJIYHOHL-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000428468988 458151726 /nfs/dbraw/zinc/15/17/26/458151726.db2.gz QYJBSFBNDWBCCS-NQIIRXRSSA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000428468988 458151733 /nfs/dbraw/zinc/15/17/33/458151733.db2.gz QYJBSFBNDWBCCS-NQIIRXRSSA-N 2 2 346.515 3.338 20 0 EGADLP CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369295368 458162323 /nfs/dbraw/zinc/16/23/23/458162323.db2.gz VJTRBRYWCVKBRY-RTBURBONSA-N 2 2 349.563 3.268 20 0 EGADLP CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369295368 458162329 /nfs/dbraw/zinc/16/23/29/458162329.db2.gz VJTRBRYWCVKBRY-RTBURBONSA-N 2 2 349.563 3.268 20 0 EGADLP Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000358726353 458173376 /nfs/dbraw/zinc/17/33/76/458173376.db2.gz QJWZGHQMNCFVEG-IYBDPMFKSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000358726353 458173380 /nfs/dbraw/zinc/17/33/80/458173380.db2.gz QJWZGHQMNCFVEG-IYBDPMFKSA-N 2 2 339.439 3.347 20 0 EGADLP CCOc1ccc(-c2noc(C[N@H+](CC)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435617523 458173958 /nfs/dbraw/zinc/17/39/58/458173958.db2.gz WAYVTALLFWTZDA-MRXNPFEDSA-N 2 2 344.459 3.099 20 0 EGADLP CCOc1ccc(-c2noc(C[N@@H+](CC)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435617523 458173965 /nfs/dbraw/zinc/17/39/65/458173965.db2.gz WAYVTALLFWTZDA-MRXNPFEDSA-N 2 2 344.459 3.099 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435618227 458174579 /nfs/dbraw/zinc/17/45/79/458174579.db2.gz SBBXSMAELNCBMQ-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC000446839573 458236211 /nfs/dbraw/zinc/23/62/11/458236211.db2.gz TTWPXWLSKKLXSN-INIZCTEOSA-N 2 2 334.504 3.346 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC000446839573 458236216 /nfs/dbraw/zinc/23/62/16/458236216.db2.gz TTWPXWLSKKLXSN-INIZCTEOSA-N 2 2 334.504 3.346 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436279505 458281376 /nfs/dbraw/zinc/28/13/76/458281376.db2.gz JFKKTXGJZDMUHC-IZZBFERCSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436279505 458281382 /nfs/dbraw/zinc/28/13/82/458281382.db2.gz JFKKTXGJZDMUHC-IZZBFERCSA-N 2 2 330.516 3.487 20 0 EGADLP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000436284652 458282356 /nfs/dbraw/zinc/28/23/56/458282356.db2.gz MTXHLZMCIHTYTC-MOPGFXCFSA-N 2 2 343.515 3.020 20 0 EGADLP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000436284652 458282361 /nfs/dbraw/zinc/28/23/61/458282361.db2.gz MTXHLZMCIHTYTC-MOPGFXCFSA-N 2 2 343.515 3.020 20 0 EGADLP CS[C@H]1CCCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681574 458357251 /nfs/dbraw/zinc/35/72/51/458357251.db2.gz CQVQEABFDFMWKJ-UXHICEINSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@H]1CCCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681574 458357257 /nfs/dbraw/zinc/35/72/57/458357257.db2.gz CQVQEABFDFMWKJ-UXHICEINSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@H]1CCCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681574 458357259 /nfs/dbraw/zinc/35/72/59/458357259.db2.gz CQVQEABFDFMWKJ-UXHICEINSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@H]1CCCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681574 458357265 /nfs/dbraw/zinc/35/72/65/458357265.db2.gz CQVQEABFDFMWKJ-UXHICEINSA-N 2 2 348.556 3.495 20 0 EGADLP CC(C)[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698439 458360383 /nfs/dbraw/zinc/36/03/83/458360383.db2.gz NKCIERYYOSVXKQ-UXHICEINSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698439 458360388 /nfs/dbraw/zinc/36/03/88/458360388.db2.gz NKCIERYYOSVXKQ-UXHICEINSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698439 458360391 /nfs/dbraw/zinc/36/03/91/458360391.db2.gz NKCIERYYOSVXKQ-UXHICEINSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698439 458360395 /nfs/dbraw/zinc/36/03/95/458360395.db2.gz NKCIERYYOSVXKQ-UXHICEINSA-N 2 2 348.556 3.351 20 0 EGADLP C[N@H+](CCOCC1CCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459410412 458362371 /nfs/dbraw/zinc/36/23/71/458362371.db2.gz IHCGVRJYYMAQPP-PMACEKPBSA-N 2 2 331.504 3.213 20 0 EGADLP C[N@@H+](CCOCC1CCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000459410412 458362373 /nfs/dbraw/zinc/36/23/73/458362373.db2.gz IHCGVRJYYMAQPP-PMACEKPBSA-N 2 2 331.504 3.213 20 0 EGADLP C[NH+](CCOCC1CCCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000459410412 458362375 /nfs/dbraw/zinc/36/23/75/458362375.db2.gz IHCGVRJYYMAQPP-PMACEKPBSA-N 2 2 331.504 3.213 20 0 EGADLP C[NH+](CCOCC1CCCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000459410412 458362381 /nfs/dbraw/zinc/36/23/81/458362381.db2.gz IHCGVRJYYMAQPP-PMACEKPBSA-N 2 2 331.504 3.213 20 0 EGADLP CCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OCC ZINC000376730624 458378382 /nfs/dbraw/zinc/37/83/82/458378382.db2.gz YYMNTTXTPIRHSR-UHFFFAOYSA-N 2 2 329.444 3.307 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448024325 458380670 /nfs/dbraw/zinc/38/06/70/458380670.db2.gz XQWDDTKODDTUMS-YJBOKZPZSA-N 2 2 347.503 3.122 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000448024325 458380674 /nfs/dbraw/zinc/38/06/74/458380674.db2.gz XQWDDTKODDTUMS-YJBOKZPZSA-N 2 2 347.503 3.122 20 0 EGADLP CCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(Cl)c1O ZINC000459542364 458405932 /nfs/dbraw/zinc/40/59/32/458405932.db2.gz NWZNIIYIVNHRBQ-UHFFFAOYSA-N 2 2 326.868 3.362 20 0 EGADLP CCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(Cl)c1O ZINC000459542364 458405939 /nfs/dbraw/zinc/40/59/39/458405939.db2.gz NWZNIIYIVNHRBQ-UHFFFAOYSA-N 2 2 326.868 3.362 20 0 EGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ncc(Br)cc1F ZINC000423498574 458443526 /nfs/dbraw/zinc/44/35/26/458443526.db2.gz IFQYDMBRIGICRJ-NOZJJQNGSA-N 2 2 330.245 3.151 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000423515956 458449253 /nfs/dbraw/zinc/44/92/53/458449253.db2.gz XROGFRXOQHMYFQ-MLGOLLRUSA-N 2 2 332.469 3.448 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000423517991 458450057 /nfs/dbraw/zinc/45/00/57/458450057.db2.gz YYWRWMUAAYCEDA-LEOMRAHMSA-N 2 2 328.460 3.256 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423523039 458451617 /nfs/dbraw/zinc/45/16/17/458451617.db2.gz MVJJQFXVQHMIDV-CZUORRHYSA-N 2 2 331.485 3.066 20 0 EGADLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccccc1I ZINC000423524449 458451720 /nfs/dbraw/zinc/45/17/20/458451720.db2.gz JJLLHKMLHSCPQL-NSHDSACASA-N 2 2 344.240 3.084 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423531420 458452228 /nfs/dbraw/zinc/45/22/28/458452228.db2.gz ZYXHKTMAIDUZGZ-WMLDXEAASA-N 2 2 345.437 3.186 20 0 EGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423553452 458457282 /nfs/dbraw/zinc/45/72/82/458457282.db2.gz GXSPBNUVYMDJGN-HKUYNNGSSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558633 458460861 /nfs/dbraw/zinc/46/08/61/458460861.db2.gz WEBKGMFFFUDIHM-NVXWUHKLSA-N 2 2 329.513 3.488 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558633 458460863 /nfs/dbraw/zinc/46/08/63/458460863.db2.gz WEBKGMFFFUDIHM-NVXWUHKLSA-N 2 2 329.513 3.488 20 0 EGADLP CC[C@@H](NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575380 458463342 /nfs/dbraw/zinc/46/33/42/458463342.db2.gz KNPPCVKTMMPJSU-IAGOWNOFSA-N 2 2 339.911 3.213 20 0 EGADLP CC[C@@H](NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575380 458463347 /nfs/dbraw/zinc/46/33/47/458463347.db2.gz KNPPCVKTMMPJSU-IAGOWNOFSA-N 2 2 339.911 3.213 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000430571370 458464100 /nfs/dbraw/zinc/46/41/00/458464100.db2.gz CQMRGJDIGZMSMQ-PBHICJAKSA-N 2 2 339.911 3.165 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000430571370 458464101 /nfs/dbraw/zinc/46/41/01/458464101.db2.gz CQMRGJDIGZMSMQ-PBHICJAKSA-N 2 2 339.911 3.165 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)c1 ZINC000430579770 458464657 /nfs/dbraw/zinc/46/46/57/458464657.db2.gz KNWZWQVBEOSNEW-ZFWWWQNUSA-N 2 2 331.485 3.378 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cs2)c1 ZINC000430579770 458464661 /nfs/dbraw/zinc/46/46/61/458464661.db2.gz KNWZWQVBEOSNEW-ZFWWWQNUSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000430578395 458465598 /nfs/dbraw/zinc/46/55/98/458465598.db2.gz PDHOEXXOPPVCGD-INIZCTEOSA-N 2 2 344.459 3.389 20 0 EGADLP COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000430578395 458465603 /nfs/dbraw/zinc/46/56/03/458465603.db2.gz PDHOEXXOPPVCGD-INIZCTEOSA-N 2 2 344.459 3.389 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000430581650 458466578 /nfs/dbraw/zinc/46/65/78/458466578.db2.gz UXAPLCVTCKGYQE-SFHVURJKSA-N 2 2 344.478 3.305 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000430581650 458466583 /nfs/dbraw/zinc/46/65/83/458466583.db2.gz UXAPLCVTCKGYQE-SFHVURJKSA-N 2 2 344.478 3.305 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594820 458468954 /nfs/dbraw/zinc/46/89/54/458468954.db2.gz WEWVPTPMEFUDLX-RISCZKNCSA-N 2 2 329.847 3.111 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594820 458468957 /nfs/dbraw/zinc/46/89/57/458468957.db2.gz WEWVPTPMEFUDLX-RISCZKNCSA-N 2 2 329.847 3.111 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C1CCCC1 ZINC000459755079 458469797 /nfs/dbraw/zinc/46/97/97/458469797.db2.gz NLUXUTVJDHALFF-ZWKOTPCHSA-N 2 2 331.485 3.307 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1C1CCCC1 ZINC000459755079 458469800 /nfs/dbraw/zinc/46/98/00/458469800.db2.gz NLUXUTVJDHALFF-ZWKOTPCHSA-N 2 2 331.485 3.307 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607249 458470781 /nfs/dbraw/zinc/47/07/81/458470781.db2.gz XZGCOXFYDLXYDT-KBPBESRZSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607249 458470787 /nfs/dbraw/zinc/47/07/87/458470787.db2.gz XZGCOXFYDLXYDT-KBPBESRZSA-N 2 2 332.423 3.177 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000459794404 458481282 /nfs/dbraw/zinc/48/12/82/458481282.db2.gz UPNIEDPUGJAKLE-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000459794404 458481287 /nfs/dbraw/zinc/48/12/87/458481287.db2.gz UPNIEDPUGJAKLE-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794404 458481291 /nfs/dbraw/zinc/48/12/91/458481291.db2.gz UPNIEDPUGJAKLE-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794404 458481295 /nfs/dbraw/zinc/48/12/95/458481295.db2.gz UPNIEDPUGJAKLE-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc2ccccc2c1 ZINC000430932232 458507202 /nfs/dbraw/zinc/50/72/02/458507202.db2.gz YRBGBSSQAUTFNR-NARAOEGZSA-N 2 2 339.483 3.075 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc2ccccc2c1 ZINC000430932232 458507207 /nfs/dbraw/zinc/50/72/07/458507207.db2.gz YRBGBSSQAUTFNR-NARAOEGZSA-N 2 2 339.483 3.075 20 0 EGADLP CCCCOc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000468395307 458515726 /nfs/dbraw/zinc/51/57/26/458515726.db2.gz YZQTWFSXEQOGND-LJQANCHMSA-N 2 2 346.515 3.410 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000438102130 458532617 /nfs/dbraw/zinc/53/26/17/458532617.db2.gz CZIBPJJSTKYHOM-CZUORRHYSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C[C@H]1n1cc[nH+]c1 ZINC000438102130 458532619 /nfs/dbraw/zinc/53/26/19/458532619.db2.gz CZIBPJJSTKYHOM-CZUORRHYSA-N 2 2 327.457 3.418 20 0 EGADLP CC[C@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000460943599 458541542 /nfs/dbraw/zinc/54/15/42/458541542.db2.gz MZYQTJCJPBAYMQ-SJORKVTESA-N 2 2 327.472 3.133 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377826056 458543459 /nfs/dbraw/zinc/54/34/59/458543459.db2.gz IJYFOHCMMFJREG-LBPRGKRZSA-N 2 2 337.370 3.020 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000377826056 458543464 /nfs/dbraw/zinc/54/34/64/458543464.db2.gz IJYFOHCMMFJREG-LBPRGKRZSA-N 2 2 337.370 3.020 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377890122 458566296 /nfs/dbraw/zinc/56/62/96/458566296.db2.gz RZHRVNZATROLMQ-AWEZNQCLSA-N 2 2 349.862 3.470 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377890122 458566301 /nfs/dbraw/zinc/56/63/01/458566301.db2.gz RZHRVNZATROLMQ-AWEZNQCLSA-N 2 2 349.862 3.470 20 0 EGADLP COC(=O)CC1CC([NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000424282164 458602633 /nfs/dbraw/zinc/60/26/33/458602633.db2.gz PBTIKOIOFDABOM-ACBHZAAOSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)CC1CC([NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000424282164 458602638 /nfs/dbraw/zinc/60/26/38/458602638.db2.gz PBTIKOIOFDABOM-ACBHZAAOSA-N 2 2 332.488 3.074 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000424292004 458606642 /nfs/dbraw/zinc/60/66/42/458606642.db2.gz NWAPUCIWNPVWJW-QRVBRYPASA-N 2 2 341.430 3.365 20 0 EGADLP CCCCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494403044 458672136 /nfs/dbraw/zinc/67/21/36/458672136.db2.gz GWQKJNYIDRDIKZ-MRXNPFEDSA-N 2 2 329.444 3.175 20 0 EGADLP CO[C@H](C[N@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000530221365 458720921 /nfs/dbraw/zinc/72/09/21/458720921.db2.gz DWFDEBRIRZPZPV-QXAKKESOSA-N 2 2 332.394 3.079 20 0 EGADLP CO[C@H](C[N@@H+]1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000530221365 458720923 /nfs/dbraw/zinc/72/09/23/458720923.db2.gz DWFDEBRIRZPZPV-QXAKKESOSA-N 2 2 332.394 3.079 20 0 EGADLP CCCn1c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)nc2ccccc21 ZINC000432369189 458726335 /nfs/dbraw/zinc/72/63/35/458726335.db2.gz UJJXJCVYXIMBFX-QGZVFWFLSA-N 2 2 344.503 3.037 20 0 EGADLP CCCn1c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)nc2ccccc21 ZINC000432369189 458726341 /nfs/dbraw/zinc/72/63/41/458726341.db2.gz UJJXJCVYXIMBFX-QGZVFWFLSA-N 2 2 344.503 3.037 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000471846646 458741369 /nfs/dbraw/zinc/74/13/69/458741369.db2.gz PWFHDQMJZJWQFI-IRXDYDNUSA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000471846646 458741374 /nfs/dbraw/zinc/74/13/74/458741374.db2.gz PWFHDQMJZJWQFI-IRXDYDNUSA-N 2 2 348.441 3.450 20 0 EGADLP CCc1cnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000530337264 458750820 /nfs/dbraw/zinc/75/08/20/458750820.db2.gz LXGMYLIVUJQCCI-IGOJGBNBSA-N 2 2 327.472 3.483 20 0 EGADLP CCc1cnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000530337264 458750823 /nfs/dbraw/zinc/75/08/23/458750823.db2.gz LXGMYLIVUJQCCI-IGOJGBNBSA-N 2 2 327.472 3.483 20 0 EGADLP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000530407509 458763753 /nfs/dbraw/zinc/76/37/53/458763753.db2.gz SCYVBEGHGAMMEG-GOSISDBHSA-N 2 2 328.366 3.015 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547654730 458769572 /nfs/dbraw/zinc/76/95/72/458769572.db2.gz OLSZTYALZHUKIQ-CVEARBPZSA-N 2 2 340.471 3.328 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082333 458795608 /nfs/dbraw/zinc/79/56/08/458795608.db2.gz BSKLTSNNLVUSEM-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082333 458795614 /nfs/dbraw/zinc/79/56/14/458795614.db2.gz BSKLTSNNLVUSEM-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082333 458795619 /nfs/dbraw/zinc/79/56/19/458795619.db2.gz BSKLTSNNLVUSEM-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082333 458795626 /nfs/dbraw/zinc/79/56/26/458795626.db2.gz BSKLTSNNLVUSEM-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)CC[N@H+](C)C3CCCCC3)ccc2n1C ZINC000548063970 458830405 /nfs/dbraw/zinc/83/04/05/458830405.db2.gz UDMCPYVIICERKF-UHFFFAOYSA-N 2 2 328.460 3.475 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)CC[N@@H+](C)C3CCCCC3)ccc2n1C ZINC000548063970 458830408 /nfs/dbraw/zinc/83/04/08/458830408.db2.gz UDMCPYVIICERKF-UHFFFAOYSA-N 2 2 328.460 3.475 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000518269397 458852858 /nfs/dbraw/zinc/85/28/58/458852858.db2.gz DLEULLMCKFQVEX-AWEZNQCLSA-N 2 2 331.287 3.440 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000518269397 458852865 /nfs/dbraw/zinc/85/28/65/458852865.db2.gz DLEULLMCKFQVEX-AWEZNQCLSA-N 2 2 331.287 3.440 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000441212314 458901070 /nfs/dbraw/zinc/90/10/70/458901070.db2.gz UGVRGFLDNHCGQM-UHFFFAOYSA-N 2 2 349.478 3.178 20 0 EGADLP COC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000495623255 458901458 /nfs/dbraw/zinc/90/14/58/458901458.db2.gz ZYARZUVSUQGXBB-OAHLLOKOSA-N 2 2 342.443 3.001 20 0 EGADLP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000531532049 458930692 /nfs/dbraw/zinc/93/06/92/458930692.db2.gz OBBUCTUFYBSXAR-UHFFFAOYSA-N 2 2 329.307 3.355 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223735 458938411 /nfs/dbraw/zinc/93/84/11/458938411.db2.gz LEKMOOBCJMGEBR-IYOUNJFTSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223735 458938414 /nfs/dbraw/zinc/93/84/14/458938414.db2.gz LEKMOOBCJMGEBR-IYOUNJFTSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000556242754 458942213 /nfs/dbraw/zinc/94/22/13/458942213.db2.gz VOKJKODMPPPYIL-NPPFBWRTSA-N 2 2 338.495 3.187 20 0 EGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000556242754 458942218 /nfs/dbraw/zinc/94/22/18/458942218.db2.gz VOKJKODMPPPYIL-NPPFBWRTSA-N 2 2 338.495 3.187 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)n1C ZINC000566498667 458949611 /nfs/dbraw/zinc/94/96/11/458949611.db2.gz FUDVWJOATXXMMG-SFHVURJKSA-N 2 2 332.879 3.309 20 0 EGADLP CC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCOCC1 ZINC000531691126 458961712 /nfs/dbraw/zinc/96/17/12/458961712.db2.gz YTNNQHYHAFWDRT-LJQANCHMSA-N 2 2 327.472 3.269 20 0 EGADLP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000556585584 458975158 /nfs/dbraw/zinc/97/51/58/458975158.db2.gz MSANKEFPYUWCMI-ZWKOTPCHSA-N 2 2 334.504 3.484 20 0 EGADLP Cc1ccc(C)c(OCCC[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000577528737 459048319 /nfs/dbraw/zinc/04/83/19/459048319.db2.gz YMARAWQMKWGRFG-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP Cc1ccc(C)c(OCCC[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000577528737 459048324 /nfs/dbraw/zinc/04/83/24/459048324.db2.gz YMARAWQMKWGRFG-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274168 459060999 /nfs/dbraw/zinc/06/09/99/459060999.db2.gz UYJFZZDBHNXJCA-BZNIZROVSA-N 2 2 341.268 3.203 20 0 EGADLP CC[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999643 459065246 /nfs/dbraw/zinc/06/52/46/459065246.db2.gz PRLZBJFLIZRHEV-UHFFFAOYSA-N 2 2 340.427 3.413 20 0 EGADLP CNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000442990884 459071591 /nfs/dbraw/zinc/07/15/91/459071591.db2.gz MQSOYQOVRCFLCV-UZLBHIALSA-N 2 2 339.483 3.136 20 0 EGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C)[NH+](C)C ZINC000443012039 459075479 /nfs/dbraw/zinc/07/54/79/459075479.db2.gz RIRLBBLVBVAHLS-FOIQADDNSA-N 2 2 337.471 3.058 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000577816611 459099347 /nfs/dbraw/zinc/09/93/47/459099347.db2.gz XZSRVRNZAZWVEC-HNNXBMFYSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000532531128 459105866 /nfs/dbraw/zinc/10/58/66/459105866.db2.gz OWVGAARDZMDSMC-HZPDHXFCSA-N 2 2 332.492 3.209 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000532531128 459105871 /nfs/dbraw/zinc/10/58/71/459105871.db2.gz OWVGAARDZMDSMC-HZPDHXFCSA-N 2 2 332.492 3.209 20 0 EGADLP COC[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000557805453 459109616 /nfs/dbraw/zinc/10/96/16/459109616.db2.gz HROZNPKLZAEAEN-HXUWFJFHSA-N 2 2 346.515 3.246 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)c1 ZINC000532648820 459124033 /nfs/dbraw/zinc/12/40/33/459124033.db2.gz RTJFCNRTRLXYGM-UHFFFAOYSA-N 2 2 345.450 3.169 20 0 EGADLP Cc1ccc(C)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000532675987 459127235 /nfs/dbraw/zinc/12/72/35/459127235.db2.gz ULQXIZKNVSPXBA-UHFFFAOYSA-N 2 2 338.499 3.263 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H](C)[NH2+]C4CC4)cc3)[nH+]c12 ZINC000578129478 459149837 /nfs/dbraw/zinc/14/98/37/459149837.db2.gz IKHDYRSMQDNPDZ-CQSZACIVSA-N 2 2 334.423 3.389 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000558389730 459152977 /nfs/dbraw/zinc/15/29/77/459152977.db2.gz YQILFKVOILGXCJ-NQIIRXRSSA-N 2 2 326.484 3.354 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000558389730 459152983 /nfs/dbraw/zinc/15/29/83/459152983.db2.gz YQILFKVOILGXCJ-NQIIRXRSSA-N 2 2 326.484 3.354 20 0 EGADLP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000533012927 459175019 /nfs/dbraw/zinc/17/50/19/459175019.db2.gz JPHBGCSRRLCZEY-HRQSHJORSA-N 2 2 348.531 3.006 20 0 EGADLP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000533012927 459175024 /nfs/dbraw/zinc/17/50/24/459175024.db2.gz JPHBGCSRRLCZEY-HRQSHJORSA-N 2 2 348.531 3.006 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031607 459178946 /nfs/dbraw/zinc/17/89/46/459178946.db2.gz YDEVSMNVDAATGI-FXAWDEMLSA-N 2 2 334.504 3.481 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031607 459178953 /nfs/dbraw/zinc/17/89/53/459178953.db2.gz YDEVSMNVDAATGI-FXAWDEMLSA-N 2 2 334.504 3.481 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)N2CCCCC2)cc1 ZINC000480087386 459181466 /nfs/dbraw/zinc/18/14/66/459181466.db2.gz BLOKYKWNKTXJGN-UIFIKXQLSA-N 2 2 345.531 3.152 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000590818877 459232457 /nfs/dbraw/zinc/23/24/57/459232457.db2.gz FEUKGEPBOHZFQH-UHFFFAOYSA-N 2 2 334.489 3.350 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000590818877 459232460 /nfs/dbraw/zinc/23/24/60/459232460.db2.gz FEUKGEPBOHZFQH-UHFFFAOYSA-N 2 2 334.489 3.350 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000559300060 459250328 /nfs/dbraw/zinc/25/03/28/459250328.db2.gz JKBDLLYMCSPGKT-JENIJYKNSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000559300060 459250333 /nfs/dbraw/zinc/25/03/33/459250333.db2.gz JKBDLLYMCSPGKT-JENIJYKNSA-N 2 2 336.520 3.495 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867163 459274915 /nfs/dbraw/zinc/27/49/15/459274915.db2.gz SPMWKDJPVAUITJ-INIZCTEOSA-N 2 2 338.480 3.457 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867163 459274918 /nfs/dbraw/zinc/27/49/18/459274918.db2.gz SPMWKDJPVAUITJ-INIZCTEOSA-N 2 2 338.480 3.457 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082751 459310486 /nfs/dbraw/zinc/31/04/86/459310486.db2.gz KPGJEEJWZOHOQP-CJNGLKHVSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082751 459310491 /nfs/dbraw/zinc/31/04/91/459310491.db2.gz KPGJEEJWZOHOQP-CJNGLKHVSA-N 2 2 332.835 3.201 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1Oc1cccc(F)c1)C1CC1 ZINC000568619564 459317540 /nfs/dbraw/zinc/31/75/40/459317540.db2.gz DHOAIOCBCXOHDP-GOSISDBHSA-N 2 2 344.430 3.163 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1Oc1cccc(F)c1)C1CC1 ZINC000568619564 459317547 /nfs/dbraw/zinc/31/75/47/459317547.db2.gz DHOAIOCBCXOHDP-GOSISDBHSA-N 2 2 344.430 3.163 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772933 459318692 /nfs/dbraw/zinc/31/86/92/459318692.db2.gz GVXSUUCMSVNTQJ-HOTGVXAUSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772933 459318699 /nfs/dbraw/zinc/31/86/99/459318699.db2.gz GVXSUUCMSVNTQJ-HOTGVXAUSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873290 459329018 /nfs/dbraw/zinc/32/90/18/459329018.db2.gz FIPXACWGCRMHNN-RHSMWYFYSA-N 2 2 347.503 3.451 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873290 459329022 /nfs/dbraw/zinc/32/90/22/459329022.db2.gz FIPXACWGCRMHNN-RHSMWYFYSA-N 2 2 347.503 3.451 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000482951549 459332649 /nfs/dbraw/zinc/33/26/49/459332649.db2.gz RRLFEZHKQMFECF-MAUKXSAKSA-N 2 2 332.488 3.446 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000482951549 459332655 /nfs/dbraw/zinc/33/26/55/459332655.db2.gz RRLFEZHKQMFECF-MAUKXSAKSA-N 2 2 332.488 3.446 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524252006 459353521 /nfs/dbraw/zinc/35/35/21/459353521.db2.gz WVYBSRNJAOTXBM-LJQANCHMSA-N 2 2 337.552 3.366 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524252006 459353530 /nfs/dbraw/zinc/35/35/30/459353530.db2.gz WVYBSRNJAOTXBM-LJQANCHMSA-N 2 2 337.552 3.366 20 0 EGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CC(C)C3)c2C1 ZINC000582429359 459364558 /nfs/dbraw/zinc/36/45/58/459364558.db2.gz QPAWRPFDPJBNFN-MRXNPFEDSA-N 2 2 329.488 3.327 20 0 EGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CC(C)C3)c2C1 ZINC000582429359 459364565 /nfs/dbraw/zinc/36/45/65/459364565.db2.gz QPAWRPFDPJBNFN-MRXNPFEDSA-N 2 2 329.488 3.327 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000560603790 459378755 /nfs/dbraw/zinc/37/87/55/459378755.db2.gz CQJRPYLUPVAIKK-HNNXBMFYSA-N 2 2 337.471 3.064 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000483686367 459382669 /nfs/dbraw/zinc/38/26/69/459382669.db2.gz PXWVTNRIHKDIHO-AYWYSENESA-N 2 2 338.499 3.477 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000483686367 459382676 /nfs/dbraw/zinc/38/26/76/459382676.db2.gz PXWVTNRIHKDIHO-AYWYSENESA-N 2 2 338.499 3.477 20 0 EGADLP C[C@H]1CCC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000540808324 459388670 /nfs/dbraw/zinc/38/86/70/459388670.db2.gz RHLIQIQVTYORRY-HOTGVXAUSA-N 2 2 342.487 3.428 20 0 EGADLP Cn1cnc2cc(C[NH2+][C@]3(C)CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000582671049 459407113 /nfs/dbraw/zinc/40/71/13/459407113.db2.gz SYCPYVMTCWGKLS-OAQYLSRUSA-N 2 2 334.467 3.328 20 0 EGADLP Cn1cnc2cc(C[NH2+][C@]3(C)CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000582671049 459407121 /nfs/dbraw/zinc/40/71/21/459407121.db2.gz SYCPYVMTCWGKLS-OAQYLSRUSA-N 2 2 334.467 3.328 20 0 EGADLP CC(C)[C@H](CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)[NH+]1CCCCCC1 ZINC000582710507 459413002 /nfs/dbraw/zinc/41/30/02/459413002.db2.gz VZJONGSDZGHKMV-ULQDDVLXSA-N 2 2 347.507 3.089 20 0 EGADLP Cc1ccc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484640200 459425023 /nfs/dbraw/zinc/42/50/23/459425023.db2.gz FYFKEFGWPVTLGK-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1ccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484640200 459425027 /nfs/dbraw/zinc/42/50/27/459425027.db2.gz FYFKEFGWPVTLGK-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591866931 459457481 /nfs/dbraw/zinc/45/74/81/459457481.db2.gz KDHVNVQQMVLGKZ-GDBMZVCRSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591866931 459457484 /nfs/dbraw/zinc/45/74/84/459457484.db2.gz KDHVNVQQMVLGKZ-GDBMZVCRSA-N 2 2 344.484 3.269 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)C(C)(C)O1 ZINC000497167454 459468833 /nfs/dbraw/zinc/46/88/33/459468833.db2.gz YBJFHVBPCWRTCR-QGZVFWFLSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078375 459478163 /nfs/dbraw/zinc/47/81/63/459478163.db2.gz YPQMCMGWXOKKKI-PKOBYXMFSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078375 459478171 /nfs/dbraw/zinc/47/81/71/459478171.db2.gz YPQMCMGWXOKKKI-PKOBYXMFSA-N 3 2 338.499 3.447 20 0 EGADLP COc1ccnc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000583591577 459563910 /nfs/dbraw/zinc/56/39/10/459563910.db2.gz WIBBQNFVQPLKRP-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccnc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000583591577 459563915 /nfs/dbraw/zinc/56/39/15/459563915.db2.gz WIBBQNFVQPLKRP-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000583591577 459563920 /nfs/dbraw/zinc/56/39/20/459563920.db2.gz WIBBQNFVQPLKRP-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000583591577 459563923 /nfs/dbraw/zinc/56/39/23/459563923.db2.gz WIBBQNFVQPLKRP-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)c2cc[nH+]c(N3CCCCC3)n2)c1C ZINC000543696794 459684523 /nfs/dbraw/zinc/68/45/23/459684523.db2.gz ZURIKKTUKZFREV-UHFFFAOYSA-N 2 2 341.459 3.124 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000584239741 459689186 /nfs/dbraw/zinc/68/91/86/459689186.db2.gz KSTWHRJOWMNICK-IAGOWNOFSA-N 2 2 328.500 3.421 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000527672230 459694250 /nfs/dbraw/zinc/69/42/50/459694250.db2.gz FDFKSAXAHDWOQV-BZNIZROVSA-N 2 2 328.378 3.286 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000527672230 459694252 /nfs/dbraw/zinc/69/42/52/459694252.db2.gz FDFKSAXAHDWOQV-BZNIZROVSA-N 2 2 328.378 3.286 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000563014315 459695786 /nfs/dbraw/zinc/69/57/86/459695786.db2.gz SQDRODJWZXCJRN-FGZHOGPDSA-N 2 2 338.495 3.090 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000563014315 459695790 /nfs/dbraw/zinc/69/57/90/459695790.db2.gz SQDRODJWZXCJRN-FGZHOGPDSA-N 2 2 338.495 3.090 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000563067759 459710045 /nfs/dbraw/zinc/71/00/45/459710045.db2.gz IYOORGOYZGGYPN-FQEVSTJZSA-N 2 2 340.467 3.053 20 0 EGADLP O[C@@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000573774947 459731120 /nfs/dbraw/zinc/73/11/20/459731120.db2.gz QZBGJHRWNQRPLX-RTWAWAEBSA-N 2 2 342.458 3.156 20 0 EGADLP CC1CCC(O)(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000573913635 459755437 /nfs/dbraw/zinc/75/54/37/459755437.db2.gz CAJHAWIHYIKJGB-UHFFFAOYSA-N 2 2 327.472 3.005 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCCC(F)(F)C3)c2cc1C ZINC000584524819 459761871 /nfs/dbraw/zinc/76/18/71/459761871.db2.gz KBHIRRVQYUFHBT-CABCVRRESA-N 2 2 337.414 3.182 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000574162527 459786820 /nfs/dbraw/zinc/78/68/20/459786820.db2.gz MHELIJYMYMELMS-GOSISDBHSA-N 2 2 334.891 3.154 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977193 459786948 /nfs/dbraw/zinc/78/69/48/459786948.db2.gz CONRRHBFEBOHQY-XPTSAGLGSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977193 459786952 /nfs/dbraw/zinc/78/69/52/459786952.db2.gz CONRRHBFEBOHQY-XPTSAGLGSA-N 2 2 333.220 3.157 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000584788753 459803414 /nfs/dbraw/zinc/80/34/14/459803414.db2.gz QDHSJBGKNPBMNV-MRXNPFEDSA-N 2 2 329.419 3.087 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000584788753 459803418 /nfs/dbraw/zinc/80/34/18/459803418.db2.gz QDHSJBGKNPBMNV-MRXNPFEDSA-N 2 2 329.419 3.087 20 0 EGADLP CC[C@H](O)C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000566109105 459806107 /nfs/dbraw/zinc/80/61/07/459806107.db2.gz LSSOIQCZZURNHH-HOTGVXAUSA-N 2 2 332.410 3.449 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)OCc1ccccc1 ZINC000566425726 459864795 /nfs/dbraw/zinc/86/47/95/459864795.db2.gz FWMNQGSVLWSQSL-RBUKOAKNSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)OCc1ccccc1 ZINC000566425726 459864799 /nfs/dbraw/zinc/86/47/99/459864799.db2.gz FWMNQGSVLWSQSL-RBUKOAKNSA-N 2 2 346.515 3.167 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Cl)c1 ZINC000574749402 459866176 /nfs/dbraw/zinc/86/61/76/459866176.db2.gz ZSZKSAXHYUMNKY-IUODEOHRSA-N 2 2 333.867 3.022 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)c1 ZINC000586790631 459873960 /nfs/dbraw/zinc/87/39/60/459873960.db2.gz WEMQFBXCGSBGCY-ZDUSSCGKSA-N 2 2 343.452 3.384 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689459 459970796 /nfs/dbraw/zinc/97/07/96/459970796.db2.gz NITHEHPPRSHSIG-YOEHRIQHSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689459 459970802 /nfs/dbraw/zinc/97/08/02/459970802.db2.gz NITHEHPPRSHSIG-YOEHRIQHSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690549 459971482 /nfs/dbraw/zinc/97/14/82/459971482.db2.gz ZPRUBXAQUXECBV-PBHICJAKSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690549 459971486 /nfs/dbraw/zinc/97/14/86/459971486.db2.gz ZPRUBXAQUXECBV-PBHICJAKSA-N 2 2 334.410 3.108 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000602647156 460041629 /nfs/dbraw/zinc/04/16/29/460041629.db2.gz IBNQPSOALNHHEW-PDOGEWKWSA-N 2 2 346.540 3.245 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000602647156 460041637 /nfs/dbraw/zinc/04/16/37/460041637.db2.gz IBNQPSOALNHHEW-PDOGEWKWSA-N 2 2 346.540 3.245 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)c2ccccc21 ZINC000621748095 460046142 /nfs/dbraw/zinc/04/61/42/460046142.db2.gz BAMTWHCZFIEYNR-SFHVURJKSA-N 2 2 348.450 3.432 20 0 EGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625215443 460074098 /nfs/dbraw/zinc/07/40/98/460074098.db2.gz CFVXVIKGRIXMSE-UHFFFAOYSA-N 2 2 326.375 3.023 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004149 460157839 /nfs/dbraw/zinc/15/78/39/460157839.db2.gz LHUHJRXXUDNERR-QAPCUYQASA-N 2 2 330.863 3.147 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004149 460157843 /nfs/dbraw/zinc/15/78/43/460157843.db2.gz LHUHJRXXUDNERR-QAPCUYQASA-N 2 2 330.863 3.147 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000623089647 460407858 /nfs/dbraw/zinc/40/78/58/460407858.db2.gz QRVKABNHEMZKGL-AWEZNQCLSA-N 2 2 345.459 3.061 20 0 EGADLP CC(C)[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628422201 460409900 /nfs/dbraw/zinc/40/99/00/460409900.db2.gz RUUSSMUISDUNRB-HXUWFJFHSA-N 2 2 338.499 3.172 20 0 EGADLP CC(C)[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000628422201 460409905 /nfs/dbraw/zinc/40/99/05/460409905.db2.gz RUUSSMUISDUNRB-HXUWFJFHSA-N 2 2 338.499 3.172 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cs1 ZINC000623424967 460540551 /nfs/dbraw/zinc/54/05/51/460540551.db2.gz MPJUAJSPHCZGGI-GFCCVEGCSA-N 2 2 348.434 3.357 20 0 EGADLP c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000623852892 460743112 /nfs/dbraw/zinc/74/31/12/460743112.db2.gz FCKJLQOFOUQWNM-QGZVFWFLSA-N 2 2 343.496 3.143 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629550401 460804336 /nfs/dbraw/zinc/80/43/36/460804336.db2.gz MOBRKIVHJASINU-JXFKEZNVSA-N 2 2 326.484 3.474 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629564358 460810720 /nfs/dbraw/zinc/81/07/20/460810720.db2.gz SYCZAPHENRGHQF-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629564358 460810728 /nfs/dbraw/zinc/81/07/28/460810728.db2.gz SYCZAPHENRGHQF-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC[C@@H]1C(F)(F)F ZINC000629655527 460848940 /nfs/dbraw/zinc/84/89/40/460848940.db2.gz LHSLYHRFOXKHKK-NDLDBVGSSA-N 2 2 334.332 3.437 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CC[C@@H]1C(F)(F)F ZINC000629655527 460848948 /nfs/dbraw/zinc/84/89/48/460848948.db2.gz LHSLYHRFOXKHKK-NDLDBVGSSA-N 2 2 334.332 3.437 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120897 460870347 /nfs/dbraw/zinc/87/03/47/460870347.db2.gz JNXXXBWXAQQDKF-ZBFHGGJFSA-N 2 2 345.466 3.097 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120897 460870349 /nfs/dbraw/zinc/87/03/49/460870349.db2.gz JNXXXBWXAQQDKF-ZBFHGGJFSA-N 2 2 345.466 3.097 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCc4ccccc43)c2cc1C ZINC000613342946 460916399 /nfs/dbraw/zinc/91/63/99/460916399.db2.gz MFZGZBUYTXRIAL-HKUYNNGSSA-N 2 2 335.451 3.291 20 0 EGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624226902 460920974 /nfs/dbraw/zinc/92/09/74/460920974.db2.gz ASDQVHBADZTYLN-VQIMIIECSA-N 2 2 340.467 3.079 20 0 EGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624226902 460920980 /nfs/dbraw/zinc/92/09/80/460920980.db2.gz ASDQVHBADZTYLN-VQIMIIECSA-N 2 2 340.467 3.079 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000630072646 461014459 /nfs/dbraw/zinc/01/44/59/461014459.db2.gz HQPMCGSNFDCGIR-UHFFFAOYSA-N 2 2 338.398 3.458 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633287576 461035628 /nfs/dbraw/zinc/03/56/28/461035628.db2.gz ISJQJNCOTCSFAD-INIZCTEOSA-N 2 2 347.507 3.014 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185813 461037556 /nfs/dbraw/zinc/03/75/56/461037556.db2.gz NGDSXMRHWXMIAC-AWEZNQCLSA-N 2 2 325.447 3.195 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185813 461037561 /nfs/dbraw/zinc/03/75/61/461037561.db2.gz NGDSXMRHWXMIAC-AWEZNQCLSA-N 2 2 325.447 3.195 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185813 461037564 /nfs/dbraw/zinc/03/75/64/461037564.db2.gz NGDSXMRHWXMIAC-AWEZNQCLSA-N 2 2 325.447 3.195 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185813 461037569 /nfs/dbraw/zinc/03/75/69/461037569.db2.gz NGDSXMRHWXMIAC-AWEZNQCLSA-N 2 2 325.447 3.195 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000628190651 461041501 /nfs/dbraw/zinc/04/15/01/461041501.db2.gz MGQZWYGCGGBMPI-CJNGLKHVSA-N 2 2 334.414 3.310 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000628190651 461041506 /nfs/dbraw/zinc/04/15/06/461041506.db2.gz MGQZWYGCGGBMPI-CJNGLKHVSA-N 2 2 334.414 3.310 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190488 461042709 /nfs/dbraw/zinc/04/27/09/461042709.db2.gz HTPZVWQYHLTLLO-RDBSUJKOSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190488 461042713 /nfs/dbraw/zinc/04/27/13/461042713.db2.gz HTPZVWQYHLTLLO-RDBSUJKOSA-N 2 2 348.434 3.450 20 0 EGADLP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000637894766 461108672 /nfs/dbraw/zinc/10/86/72/461108672.db2.gz IHBIOCNMGXSVCQ-CVEARBPZSA-N 2 2 348.878 3.043 20 0 EGADLP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000637894770 461110036 /nfs/dbraw/zinc/11/00/36/461110036.db2.gz IHBIOCNMGXSVCQ-HZPDHXFCSA-N 2 2 348.878 3.043 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652332567 461135089 /nfs/dbraw/zinc/13/50/89/461135089.db2.gz KQWPWWUBLUVATK-BEFAXECRSA-N 2 2 348.450 3.299 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000668150129 461137165 /nfs/dbraw/zinc/13/71/65/461137165.db2.gz OONQOIQGVQUSKS-QGZVFWFLSA-N 2 2 337.427 3.067 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)n1C ZINC000668166687 461152573 /nfs/dbraw/zinc/15/25/73/461152573.db2.gz DXZFJOOYKDJOQC-INIZCTEOSA-N 2 2 342.491 3.274 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)n1C ZINC000668166687 461152581 /nfs/dbraw/zinc/15/25/81/461152581.db2.gz DXZFJOOYKDJOQC-INIZCTEOSA-N 2 2 342.491 3.274 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000662276674 461160741 /nfs/dbraw/zinc/16/07/41/461160741.db2.gz OHAFTAKMZAUMNO-SWLSCSKDSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000662276674 461160749 /nfs/dbraw/zinc/16/07/49/461160749.db2.gz OHAFTAKMZAUMNO-SWLSCSKDSA-N 2 2 328.378 3.391 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022076 461201631 /nfs/dbraw/zinc/20/16/31/461201631.db2.gz HBWQCXRFYOOONL-HKUYNNGSSA-N 2 2 330.520 3.459 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022076 461201636 /nfs/dbraw/zinc/20/16/36/461201636.db2.gz HBWQCXRFYOOONL-HKUYNNGSSA-N 2 2 330.520 3.459 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638031297 461206179 /nfs/dbraw/zinc/20/61/79/461206179.db2.gz OHMCUMWBNUEQBZ-FQEVSTJZSA-N 2 2 338.499 3.468 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638031297 461206185 /nfs/dbraw/zinc/20/61/85/461206185.db2.gz OHMCUMWBNUEQBZ-FQEVSTJZSA-N 2 2 338.499 3.468 20 0 EGADLP Fc1c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cccc1OC1CC1 ZINC000668298628 461234989 /nfs/dbraw/zinc/23/49/89/461234989.db2.gz FOAHVJSLJKXGAR-QGZVFWFLSA-N 2 2 348.462 3.054 20 0 EGADLP Fc1c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cccc1OC1CC1 ZINC000668298628 461234998 /nfs/dbraw/zinc/23/49/98/461234998.db2.gz FOAHVJSLJKXGAR-QGZVFWFLSA-N 2 2 348.462 3.054 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])COC(C)C)c1 ZINC000659287518 461276066 /nfs/dbraw/zinc/27/60/66/461276066.db2.gz IMJAPJUCWRQZDN-KRWDZBQOSA-N 2 2 344.459 3.041 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@@H]1n1cc[nH+]c1 ZINC000638170072 461282669 /nfs/dbraw/zinc/28/26/69/461282669.db2.gz CLSZWDUIGIPHRN-HKUYNNGSSA-N 2 2 343.471 3.118 20 0 EGADLP CC(C)O[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702721 461289809 /nfs/dbraw/zinc/28/98/09/461289809.db2.gz LQFHQHQBSFYQOP-SFTDATJTSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702721 461289812 /nfs/dbraw/zinc/28/98/12/461289812.db2.gz LQFHQHQBSFYQOP-SFTDATJTSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702721 461289816 /nfs/dbraw/zinc/28/98/16/461289816.db2.gz LQFHQHQBSFYQOP-SFTDATJTSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702721 461289823 /nfs/dbraw/zinc/28/98/23/461289823.db2.gz LQFHQHQBSFYQOP-SFTDATJTSA-N 2 2 346.515 3.167 20 0 EGADLP Clc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655701357 461372352 /nfs/dbraw/zinc/37/23/52/461372352.db2.gz SKUZJZARJYUNLV-RHSMWYFYSA-N 2 2 336.863 3.007 20 0 EGADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCn4ccnc43)C2)c1 ZINC000655703440 461373644 /nfs/dbraw/zinc/37/36/44/461373644.db2.gz GNHBBWLFJOLXER-DOTOQJQBSA-N 2 2 330.501 3.281 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCn4ccnc43)C2)c1 ZINC000655703440 461373649 /nfs/dbraw/zinc/37/36/49/461373649.db2.gz GNHBBWLFJOLXER-DOTOQJQBSA-N 2 2 330.501 3.281 20 0 EGADLP Clc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1Cl ZINC000655703262 461374321 /nfs/dbraw/zinc/37/43/21/461374321.db2.gz COHALMSADHHKFY-CQSZACIVSA-N 2 2 329.271 3.336 20 0 EGADLP NC(=O)[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000638343340 461376567 /nfs/dbraw/zinc/37/65/67/461376567.db2.gz LYHZFGXDIQLDGM-HMXCVIKNSA-N 2 2 349.478 3.171 20 0 EGADLP NC(=O)[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000638343340 461376571 /nfs/dbraw/zinc/37/65/71/461376571.db2.gz LYHZFGXDIQLDGM-HMXCVIKNSA-N 2 2 349.478 3.171 20 0 EGADLP COc1cc(C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccn1 ZINC000638343027 461376678 /nfs/dbraw/zinc/37/66/78/461376678.db2.gz OYCGAKVSBAYQEL-MRXNPFEDSA-N 2 2 336.439 3.056 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cs2)cc1OC ZINC000641802312 461380282 /nfs/dbraw/zinc/38/02/82/461380282.db2.gz IZFAAOUBGXLILE-CVEARBPZSA-N 2 2 347.484 3.043 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000641823089 461390219 /nfs/dbraw/zinc/39/02/19/461390219.db2.gz QDMPFGSTNITNME-PWSUYJOCSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000641823089 461390228 /nfs/dbraw/zinc/39/02/28/461390228.db2.gz QDMPFGSTNITNME-PWSUYJOCSA-N 2 2 329.391 3.255 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000655727652 461397533 /nfs/dbraw/zinc/39/75/33/461397533.db2.gz SSPGBUXWBVIMSW-DOMZBBRYSA-N 2 2 326.843 3.383 20 0 EGADLP CC[C@@H](CSc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736384 461403417 /nfs/dbraw/zinc/40/34/17/461403417.db2.gz DZHDBYWZTCBSMN-FUHWJXTLSA-N 2 2 334.529 3.400 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000638404556 461410420 /nfs/dbraw/zinc/41/04/20/461410420.db2.gz GKIBYDHFNJGLBM-QHAWAJNXSA-N 2 2 346.515 3.101 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655749252 461416348 /nfs/dbraw/zinc/41/63/48/461416348.db2.gz UPABFCUISJZORU-SCLBCKFNSA-N 2 2 344.890 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000655749252 461416353 /nfs/dbraw/zinc/41/63/53/461416353.db2.gz UPABFCUISJZORU-SCLBCKFNSA-N 2 2 344.890 3.406 20 0 EGADLP CO[C@H](C[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000638455693 461437786 /nfs/dbraw/zinc/43/77/86/461437786.db2.gz YAWKMDGIXYRLRV-NHCUHLMSSA-N 2 2 346.515 3.163 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638496201 461455727 /nfs/dbraw/zinc/45/57/27/461455727.db2.gz QBFSECSGXSGCQJ-WIYYLYMNSA-N 2 2 338.499 3.495 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638496201 461455732 /nfs/dbraw/zinc/45/57/32/461455732.db2.gz QBFSECSGXSGCQJ-WIYYLYMNSA-N 2 2 338.499 3.495 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860016 461463386 /nfs/dbraw/zinc/46/33/86/461463386.db2.gz RNWUTMPMQZNDCG-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860016 461463365 /nfs/dbraw/zinc/46/33/65/461463365.db2.gz RNWUTMPMQZNDCG-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860016 461463374 /nfs/dbraw/zinc/46/33/74/461463374.db2.gz RNWUTMPMQZNDCG-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860016 461463378 /nfs/dbraw/zinc/46/33/78/461463378.db2.gz RNWUTMPMQZNDCG-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659876822 461474577 /nfs/dbraw/zinc/47/45/77/461474577.db2.gz GCKPLFIHOHGVJO-WTGUMLROSA-N 2 2 347.547 3.022 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659876822 461474589 /nfs/dbraw/zinc/47/45/89/461474589.db2.gz GCKPLFIHOHGVJO-WTGUMLROSA-N 2 2 347.547 3.022 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881840 461480505 /nfs/dbraw/zinc/48/05/05/461480505.db2.gz AXQAXYLBDFNZMT-WMLDXEAASA-N 2 2 342.468 3.023 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881840 461480511 /nfs/dbraw/zinc/48/05/11/461480511.db2.gz AXQAXYLBDFNZMT-WMLDXEAASA-N 2 2 342.468 3.023 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848234 461495062 /nfs/dbraw/zinc/49/50/62/461495062.db2.gz HQIIHEIMNMRXFF-ZTFGCOKTSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848234 461495069 /nfs/dbraw/zinc/49/50/69/461495069.db2.gz HQIIHEIMNMRXFF-ZTFGCOKTSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@@H](Oc1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653092745 461497091 /nfs/dbraw/zinc/49/70/91/461497091.db2.gz KEQHEYJOUZHFGB-NVXWUHKLSA-N 2 2 341.455 3.044 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(Cl)c1OC ZINC000655857868 461507154 /nfs/dbraw/zinc/50/71/54/461507154.db2.gz XGYGNKRLFAKPOS-HOTGVXAUSA-N 2 2 338.879 3.464 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(Cl)c1OC ZINC000655857868 461507159 /nfs/dbraw/zinc/50/71/59/461507159.db2.gz XGYGNKRLFAKPOS-HOTGVXAUSA-N 2 2 338.879 3.464 20 0 EGADLP FC(F)C(F)(F)COc1cc(NCc2c[nH+]c3n2CCC3)cc[nH+]1 ZINC000663257927 461529648 /nfs/dbraw/zinc/52/96/48/461529648.db2.gz RSJHLNCIRNBCHY-UHFFFAOYSA-N 2 2 344.312 3.116 20 0 EGADLP C[N@H+](Cc1cc(C2CC2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659990779 461531855 /nfs/dbraw/zinc/53/18/55/461531855.db2.gz GWGNPORXOHNQGF-UHFFFAOYSA-N 2 2 340.471 3.086 20 0 EGADLP C[N@@H+](Cc1cc(C2CC2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659990779 461531861 /nfs/dbraw/zinc/53/18/61/461531861.db2.gz GWGNPORXOHNQGF-UHFFFAOYSA-N 2 2 340.471 3.086 20 0 EGADLP Fc1ccc(OC(F)F)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000660004202 461542073 /nfs/dbraw/zinc/54/20/73/461542073.db2.gz UNXDUIYWPPFVQU-UHFFFAOYSA-N 2 2 337.345 3.144 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000647172767 461543890 /nfs/dbraw/zinc/54/38/90/461543890.db2.gz IBOOGUAHBWUMSW-UHFFFAOYSA-N 2 2 344.478 3.432 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000631137446 461582638 /nfs/dbraw/zinc/58/26/38/461582638.db2.gz BNFIVEJHQKRHSY-KKSFZXQISA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000631137446 461582643 /nfs/dbraw/zinc/58/26/43/461582643.db2.gz BNFIVEJHQKRHSY-KKSFZXQISA-N 2 2 337.467 3.398 20 0 EGADLP [NH3+]C1CCC(Nc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000642998818 461591325 /nfs/dbraw/zinc/59/13/25/461591325.db2.gz NEAFNKNVFFGUGU-UHFFFAOYSA-N 2 2 338.224 3.240 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000643064162 461600728 /nfs/dbraw/zinc/60/07/28/461600728.db2.gz ORSBXDOHPQXSKP-RDJZCZTQSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000643064162 461600735 /nfs/dbraw/zinc/60/07/35/461600735.db2.gz ORSBXDOHPQXSKP-RDJZCZTQSA-N 2 2 329.419 3.445 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000647291587 461618127 /nfs/dbraw/zinc/61/81/27/461618127.db2.gz SMJAMDYXWUZGLC-HXUWFJFHSA-N 2 2 334.504 3.483 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000647305376 461625558 /nfs/dbraw/zinc/62/55/58/461625558.db2.gz ISVGSDYOIUXNFZ-AZUAARDMSA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000647305376 461625569 /nfs/dbraw/zinc/62/55/69/461625569.db2.gz ISVGSDYOIUXNFZ-AZUAARDMSA-N 2 2 334.504 3.219 20 0 EGADLP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000631204790 461640179 /nfs/dbraw/zinc/64/01/79/461640179.db2.gz GEWHJDLRUSRQTN-NRFANRHFSA-N 2 2 345.531 3.357 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000656254439 461677232 /nfs/dbraw/zinc/67/72/32/461677232.db2.gz FTJFPKJEFIGKID-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000656254439 461677236 /nfs/dbraw/zinc/67/72/36/461677236.db2.gz FTJFPKJEFIGKID-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656254439 461677239 /nfs/dbraw/zinc/67/72/39/461677239.db2.gz FTJFPKJEFIGKID-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656254439 461677243 /nfs/dbraw/zinc/67/72/43/461677243.db2.gz FTJFPKJEFIGKID-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000656262224 461686231 /nfs/dbraw/zinc/68/62/31/461686231.db2.gz RGPBUJOVXADDRV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000656262224 461686236 /nfs/dbraw/zinc/68/62/36/461686236.db2.gz RGPBUJOVXADDRV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000656262224 461686243 /nfs/dbraw/zinc/68/62/43/461686243.db2.gz RGPBUJOVXADDRV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000656262224 461686248 /nfs/dbraw/zinc/68/62/48/461686248.db2.gz RGPBUJOVXADDRV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000643347012 461698326 /nfs/dbraw/zinc/69/83/26/461698326.db2.gz AQSJIDLBBYGSIB-QGZVFWFLSA-N 2 2 334.467 3.438 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663587475 461713298 /nfs/dbraw/zinc/71/32/98/461713298.db2.gz QFONJEJYJOKXDP-LJQANCHMSA-N 2 2 341.459 3.224 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000643463293 461735372 /nfs/dbraw/zinc/73/53/72/461735372.db2.gz SSEPQYFCLZRXJM-LIRRHRJNSA-N 2 2 341.430 3.308 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501758 461746215 /nfs/dbraw/zinc/74/62/15/461746215.db2.gz PIKKSPRMSMDSAR-NHYWBVRUSA-N 2 2 327.241 3.307 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542479 461753887 /nfs/dbraw/zinc/75/38/87/461753887.db2.gz UQEZOQVXIVUWKS-NVXWUHKLSA-N 2 2 336.439 3.017 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542479 461753895 /nfs/dbraw/zinc/75/38/95/461753895.db2.gz UQEZOQVXIVUWKS-NVXWUHKLSA-N 2 2 336.439 3.017 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542478 461755201 /nfs/dbraw/zinc/75/52/01/461755201.db2.gz UQEZOQVXIVUWKS-DOTOQJQBSA-N 2 2 336.439 3.017 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542478 461755208 /nfs/dbraw/zinc/75/52/08/461755208.db2.gz UQEZOQVXIVUWKS-DOTOQJQBSA-N 2 2 336.439 3.017 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647542178 461755413 /nfs/dbraw/zinc/75/54/13/461755413.db2.gz LSQLWZLQCHUZFY-LSDHHAIUSA-N 2 2 332.394 3.483 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647542178 461755418 /nfs/dbraw/zinc/75/54/18/461755418.db2.gz LSQLWZLQCHUZFY-LSDHHAIUSA-N 2 2 332.394 3.483 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544082 461759287 /nfs/dbraw/zinc/75/92/87/461759287.db2.gz WMXCDIFKNMJSFZ-HOTGVXAUSA-N 3 2 330.501 3.145 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544082 461759293 /nfs/dbraw/zinc/75/92/93/461759293.db2.gz WMXCDIFKNMJSFZ-HOTGVXAUSA-N 3 2 330.501 3.145 20 0 EGADLP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000666769748 461795014 /nfs/dbraw/zinc/79/50/14/461795014.db2.gz FBKGZFFGHAYAJY-IBGZPJMESA-N 2 2 338.499 3.457 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2-n2cncn2)cc1 ZINC000666785690 461801822 /nfs/dbraw/zinc/80/18/22/461801822.db2.gz YVQPNZURKALPJG-IBGZPJMESA-N 2 2 335.455 3.180 20 0 EGADLP Cc1cc(CO)cc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000663818653 461821125 /nfs/dbraw/zinc/82/11/25/461821125.db2.gz SAXLOQFUXYXOJJ-IBGZPJMESA-N 2 2 325.456 3.205 20 0 EGADLP Cc1cc(CO)cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000663818653 461821126 /nfs/dbraw/zinc/82/11/26/461821126.db2.gz SAXLOQFUXYXOJJ-IBGZPJMESA-N 2 2 325.456 3.205 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831652 461828200 /nfs/dbraw/zinc/82/82/00/461828200.db2.gz UHJBFIOZUVGGGO-MAUKXSAKSA-N 2 2 341.455 3.155 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831652 461828205 /nfs/dbraw/zinc/82/82/05/461828205.db2.gz UHJBFIOZUVGGGO-MAUKXSAKSA-N 2 2 341.455 3.155 20 0 EGADLP O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000650568438 461830998 /nfs/dbraw/zinc/83/09/98/461830998.db2.gz ZKIFTGREUIXBKA-UHFFFAOYSA-N 2 2 338.455 3.458 20 0 EGADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1Cl ZINC000647814421 461848116 /nfs/dbraw/zinc/84/81/16/461848116.db2.gz NHLMIRDCXMGPLI-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1Cl ZINC000647814421 461848124 /nfs/dbraw/zinc/84/81/24/461848124.db2.gz NHLMIRDCXMGPLI-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000647814327 461848282 /nfs/dbraw/zinc/84/82/82/461848282.db2.gz ITVMEAWKKZCBAN-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000647814327 461848289 /nfs/dbraw/zinc/84/82/89/461848289.db2.gz ITVMEAWKKZCBAN-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP Fc1ccccc1COc1ccc(C[N@@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000660582388 461866867 /nfs/dbraw/zinc/86/68/67/461866867.db2.gz SXRGJIDFSKLRNM-UHFFFAOYSA-N 2 2 338.386 3.012 20 0 EGADLP Fc1ccccc1COc1ccc(C[N@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000660582388 461866875 /nfs/dbraw/zinc/86/68/75/461866875.db2.gz SXRGJIDFSKLRNM-UHFFFAOYSA-N 2 2 338.386 3.012 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000647937213 461894015 /nfs/dbraw/zinc/89/40/15/461894015.db2.gz SPHCVNVOYLAMJF-JGGQBBKZSA-N 2 2 348.878 3.434 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000647937213 461894019 /nfs/dbraw/zinc/89/40/19/461894019.db2.gz SPHCVNVOYLAMJF-JGGQBBKZSA-N 2 2 348.878 3.434 20 0 EGADLP C[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)CC(C)(C)[NH3+] ZINC000656786031 461895208 /nfs/dbraw/zinc/89/52/08/461895208.db2.gz UDOWPOSKNLRVFO-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP C[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)CC(C)(C)[NH3+] ZINC000656786031 461895215 /nfs/dbraw/zinc/89/52/15/461895215.db2.gz UDOWPOSKNLRVFO-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP c1cn(-c2csc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)c2)c[nH+]1 ZINC000656786802 461898642 /nfs/dbraw/zinc/89/86/42/461898642.db2.gz QTZNRWYGYKQSIE-MRXNPFEDSA-N 3 2 330.501 3.145 20 0 EGADLP CCOc1c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(C)nn1CC(C)C ZINC000666998237 461905573 /nfs/dbraw/zinc/90/55/73/461905573.db2.gz IZPLIJZMFRMCOR-MRXNPFEDSA-N 2 2 334.508 3.011 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656712 461907615 /nfs/dbraw/zinc/90/76/15/461907615.db2.gz NVLWLCFYXTWPQD-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656712 461907617 /nfs/dbraw/zinc/90/76/17/461907617.db2.gz NVLWLCFYXTWPQD-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656712 461907619 /nfs/dbraw/zinc/90/76/19/461907619.db2.gz NVLWLCFYXTWPQD-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656712 461907623 /nfs/dbraw/zinc/90/76/23/461907623.db2.gz NVLWLCFYXTWPQD-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000660657625 461909394 /nfs/dbraw/zinc/90/93/94/461909394.db2.gz YUIRYXLZLZUIET-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000660657625 461909403 /nfs/dbraw/zinc/90/94/03/461909403.db2.gz YUIRYXLZLZUIET-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1OC(F)F ZINC000660657625 461909412 /nfs/dbraw/zinc/90/94/12/461909412.db2.gz YUIRYXLZLZUIET-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC(F)F ZINC000660657625 461909416 /nfs/dbraw/zinc/90/94/16/461909416.db2.gz YUIRYXLZLZUIET-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724693 461916165 /nfs/dbraw/zinc/91/61/65/461916165.db2.gz KPWWMKHIGOICCP-IJLUTSLNSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724693 461916171 /nfs/dbraw/zinc/91/61/71/461916171.db2.gz KPWWMKHIGOICCP-IJLUTSLNSA-N 2 2 349.422 3.023 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000648010531 461939268 /nfs/dbraw/zinc/93/92/68/461939268.db2.gz HAJOHWMDAWYONH-KRWDZBQOSA-N 2 2 342.487 3.296 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000648010531 461939274 /nfs/dbraw/zinc/93/92/74/461939274.db2.gz HAJOHWMDAWYONH-KRWDZBQOSA-N 2 2 342.487 3.296 20 0 EGADLP Cc1nc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664173437 461968498 /nfs/dbraw/zinc/96/84/98/461968498.db2.gz FNGNSVCBSMKQIJ-LLVKDONJSA-N 2 2 327.270 3.141 20 0 EGADLP Cc1nc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664173437 461968500 /nfs/dbraw/zinc/96/85/00/461968500.db2.gz FNGNSVCBSMKQIJ-LLVKDONJSA-N 2 2 327.270 3.141 20 0 EGADLP Cc1ccc([C@H](C[NH2+]CCC(=O)Nc2ccccc2F)[NH+](C)C)cc1 ZINC000644529865 461971733 /nfs/dbraw/zinc/97/17/33/461971733.db2.gz GEGZJDCSZSQNND-IBGZPJMESA-N 2 2 343.446 3.355 20 0 EGADLP Cc1noc(C2CCC([NH2+]C[C@@H](Cc3ccccc3)[NH+](C)C)CC2)n1 ZINC000644531591 461973903 /nfs/dbraw/zinc/97/39/03/461973903.db2.gz HLELTSOLCYGENB-CTWPCTMYSA-N 2 2 342.487 3.167 20 0 EGADLP Cc1cccn2cc(CC[NH2+]C[C@@H](O)Cc3cccc(Cl)c3)[nH+]c12 ZINC000644581856 461996411 /nfs/dbraw/zinc/99/64/11/461996411.db2.gz VOAIVXKNGMCBLB-SFHVURJKSA-N 2 2 343.858 3.032 20 0 EGADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853276 461997346 /nfs/dbraw/zinc/99/73/46/461997346.db2.gz UICHFVSVSHPPPY-HNNXBMFYSA-N 2 2 342.487 3.074 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657313767 462038660 /nfs/dbraw/zinc/03/86/60/462038660.db2.gz OILSKDGPLJOOIU-UHFFFAOYSA-N 2 2 338.499 3.356 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]2c2ccc(N(C)C)nn2)c(C)[nH+]1 ZINC000639678788 462054064 /nfs/dbraw/zinc/05/40/64/462054064.db2.gz NEJIOSALUIKOPM-SFHVURJKSA-N 2 2 325.460 3.200 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]2c2ccc(N(C)C)nn2)c(C)[nH+]1 ZINC000639678788 462054068 /nfs/dbraw/zinc/05/40/68/462054068.db2.gz NEJIOSALUIKOPM-SFHVURJKSA-N 2 2 325.460 3.200 20 0 EGADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683015 462055270 /nfs/dbraw/zinc/05/52/70/462055270.db2.gz QYZKYWKIUWYTEK-HNNXBMFYSA-N 2 2 349.438 3.004 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccccc1 ZINC000657381233 462085881 /nfs/dbraw/zinc/08/58/81/462085881.db2.gz PMMHHYZWOGNJOA-LJQANCHMSA-N 2 2 335.455 3.100 20 0 EGADLP Cc1ccc(C[NH+]2CCSCC2)cc1NCc1c[nH+]c2n1CCC2 ZINC000657406688 462102532 /nfs/dbraw/zinc/10/25/32/462102532.db2.gz BEMOGNAOPCAVHC-UHFFFAOYSA-N 2 2 342.512 3.299 20 0 EGADLP Brc1ccc2[nH]c(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2c1 ZINC000657437335 462122618 /nfs/dbraw/zinc/12/26/18/462122618.db2.gz JYICPQOHMMDMBG-UHFFFAOYSA-N 2 2 345.244 3.363 20 0 EGADLP COc1ccccc1[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)OC(C)C ZINC000657438990 462124280 /nfs/dbraw/zinc/12/42/80/462124280.db2.gz RMAPIFHTZVRMEG-SFHVURJKSA-N 2 2 329.444 3.094 20 0 EGADLP CC(C)n1cc[nH+]c1CNC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000657439616 462125855 /nfs/dbraw/zinc/12/58/55/462125855.db2.gz IZISDDOGJOTDKK-LJQANCHMSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1cc[nH+]c1CNC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000657439616 462125860 /nfs/dbraw/zinc/12/58/60/462125860.db2.gz IZISDDOGJOTDKK-LJQANCHMSA-N 2 2 326.488 3.464 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000648462588 462130739 /nfs/dbraw/zinc/13/07/39/462130739.db2.gz PHQVWPGPOKBSLN-MSOLQXFVSA-N 2 2 325.456 3.395 20 0 EGADLP Clc1ccc(C[C@]2([NH2+]Cc3c[nH+]c4n3CCC4)CCCOC2)cc1 ZINC000657601337 462201376 /nfs/dbraw/zinc/20/13/76/462201376.db2.gz IVYHXJJFHUFGOL-LJQANCHMSA-N 2 2 345.874 3.364 20 0 EGADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983299 462204428 /nfs/dbraw/zinc/20/44/28/462204428.db2.gz QXGLWOGMSLUPFM-KSZLIROESA-N 2 2 335.536 3.115 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667699963 462221294 /nfs/dbraw/zinc/22/12/94/462221294.db2.gz OOPNHIGFSJJRLJ-MLGOLLRUSA-N 2 2 349.276 3.432 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000667699963 462221304 /nfs/dbraw/zinc/22/13/04/462221304.db2.gz OOPNHIGFSJJRLJ-MLGOLLRUSA-N 2 2 349.276 3.432 20 0 EGADLP CC[N@H+](CCNc1[nH+]cnc2[nH]c(C)c(C)c21)CCC(F)(F)F ZINC000645224155 462241690 /nfs/dbraw/zinc/24/16/90/462241690.db2.gz SZMWCUWUJGQFIE-UHFFFAOYSA-N 2 2 329.370 3.261 20 0 EGADLP CC[N@@H+](CCNc1[nH+]cnc2[nH]c(C)c(C)c21)CCC(F)(F)F ZINC000645224155 462241695 /nfs/dbraw/zinc/24/16/95/462241695.db2.gz SZMWCUWUJGQFIE-UHFFFAOYSA-N 2 2 329.370 3.261 20 0 EGADLP CCC[C@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000667758902 462249433 /nfs/dbraw/zinc/24/94/33/462249433.db2.gz SORQCPPRXPRAMQ-IBGZPJMESA-N 2 2 326.488 3.215 20 0 EGADLP CCC[C@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@H+]1Cc1ccccc1 ZINC000667758902 462249440 /nfs/dbraw/zinc/24/94/40/462249440.db2.gz SORQCPPRXPRAMQ-IBGZPJMESA-N 2 2 326.488 3.215 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C[N@@H+]1C1CC1 ZINC000657802700 462275103 /nfs/dbraw/zinc/27/51/03/462275103.db2.gz FJWMQEUJTNXAOD-LKUPVBHCSA-N 2 2 344.499 3.097 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C[N@H+]1C1CC1 ZINC000657802700 462275108 /nfs/dbraw/zinc/27/51/08/462275108.db2.gz FJWMQEUJTNXAOD-LKUPVBHCSA-N 2 2 344.499 3.097 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657823724 462284002 /nfs/dbraw/zinc/28/40/02/462284002.db2.gz AKAZRUKCUJAQQO-ZBFHGGJFSA-N 2 2 333.501 3.304 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc3ccncc3s2)C1 ZINC000657823724 462284003 /nfs/dbraw/zinc/28/40/03/462284003.db2.gz AKAZRUKCUJAQQO-ZBFHGGJFSA-N 2 2 333.501 3.304 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000651643707 462287607 /nfs/dbraw/zinc/28/76/07/462287607.db2.gz MHBKPGYXNSSIOT-INIZCTEOSA-N 2 2 336.451 3.293 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000651643707 462287611 /nfs/dbraw/zinc/28/76/11/462287611.db2.gz MHBKPGYXNSSIOT-INIZCTEOSA-N 2 2 336.451 3.293 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCC1 ZINC000665246526 462367708 /nfs/dbraw/zinc/36/77/08/462367708.db2.gz HQQVVYPJIXDGGM-ZCNNSNEGSA-N 3 2 327.516 3.291 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCC1 ZINC000665246526 462367715 /nfs/dbraw/zinc/36/77/15/462367715.db2.gz HQQVVYPJIXDGGM-ZCNNSNEGSA-N 3 2 327.516 3.291 20 0 EGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295711 462461188 /nfs/dbraw/zinc/46/11/88/462461188.db2.gz VEKAQSYTMXWADH-SFTDATJTSA-N 2 2 346.515 3.071 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccncc2s1 ZINC000658296184 462462438 /nfs/dbraw/zinc/46/24/38/462462438.db2.gz QYQLOBJYWWAARA-BBRMVZONSA-N 2 2 331.485 3.200 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000658353159 462486851 /nfs/dbraw/zinc/48/68/51/462486851.db2.gz KUSHCQSQQWZJLA-UZLBHIALSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1C ZINC000658353159 462486855 /nfs/dbraw/zinc/48/68/55/462486855.db2.gz KUSHCQSQQWZJLA-UZLBHIALSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000658353156 462487466 /nfs/dbraw/zinc/48/74/66/462487466.db2.gz KUSHCQSQQWZJLA-JXFKEZNVSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000658353156 462487469 /nfs/dbraw/zinc/48/74/69/462487469.db2.gz KUSHCQSQQWZJLA-JXFKEZNVSA-N 2 2 339.483 3.399 20 0 EGADLP C[NH+]1CCN(c2ccc(NCc3ccc(C(F)F)cc3)[nH+]c2)CC1 ZINC000527519844 478427783 /nfs/dbraw/zinc/42/77/83/478427783.db2.gz GLVAXSVVXQGFJI-UHFFFAOYSA-N 2 2 332.398 3.383 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc4cc[nH]c4c3)[nH+]c2)C1 ZINC000527683991 478476624 /nfs/dbraw/zinc/47/66/24/478476624.db2.gz XBDOQXKZXQCOQU-GOSISDBHSA-N 2 2 335.455 3.315 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000131773862 533844154 /nfs/dbraw/zinc/84/41/54/533844154.db2.gz FEFGPYDNAVMCPD-GHMZBOCLSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000131773862 533844164 /nfs/dbraw/zinc/84/41/64/533844164.db2.gz FEFGPYDNAVMCPD-GHMZBOCLSA-N 2 2 347.684 3.150 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129520231 534080277 /nfs/dbraw/zinc/08/02/77/534080277.db2.gz UGTXIZRSHYNQMF-JENIJYKNSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129520231 534080284 /nfs/dbraw/zinc/08/02/84/534080284.db2.gz UGTXIZRSHYNQMF-JENIJYKNSA-N 2 2 340.471 3.410 20 0 EGADLP C(=C\c1ccccc1)\C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000342668860 517309478 /nfs/dbraw/zinc/30/94/78/517309478.db2.gz CQZAEMZVNMTKDE-YVMONPNESA-N 2 2 332.451 3.165 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000125601349 518193071 /nfs/dbraw/zinc/19/30/71/518193071.db2.gz HXYLJILBIKUPHK-LJQANCHMSA-N 2 2 331.423 3.447 20 0 EGADLP Brc1ccc(C[NH2+]CC[NH+]2CCCC2)c2ncccc12 ZINC000166399173 526641047 /nfs/dbraw/zinc/64/10/47/526641047.db2.gz FNRBLWNDRBKFFJ-UHFFFAOYSA-N 2 2 334.261 3.183 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933670 536465106 /nfs/dbraw/zinc/46/51/06/536465106.db2.gz SNILNPKSUUABKR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933670 536465108 /nfs/dbraw/zinc/46/51/08/536465108.db2.gz SNILNPKSUUABKR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933670 536465110 /nfs/dbraw/zinc/46/51/10/536465110.db2.gz SNILNPKSUUABKR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933670 536465111 /nfs/dbraw/zinc/46/51/11/536465111.db2.gz SNILNPKSUUABKR-CXAGYDPISA-N 2 2 330.863 3.256 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948228 527851148 /nfs/dbraw/zinc/85/11/48/527851148.db2.gz IGYWGZPBLPJSDM-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948228 527851154 /nfs/dbraw/zinc/85/11/54/527851154.db2.gz IGYWGZPBLPJSDM-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948228 527851161 /nfs/dbraw/zinc/85/11/61/527851161.db2.gz IGYWGZPBLPJSDM-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948228 527851169 /nfs/dbraw/zinc/85/11/69/527851169.db2.gz IGYWGZPBLPJSDM-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187096885 528184448 /nfs/dbraw/zinc/18/44/48/528184448.db2.gz KDIUPTUMLITWIB-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187096885 528184453 /nfs/dbraw/zinc/18/44/53/528184453.db2.gz KDIUPTUMLITWIB-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CC[N@H+](CCO[C@@H]1CCCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181726447 528572137 /nfs/dbraw/zinc/57/21/37/528572137.db2.gz SZUAJCNKVPCDGT-HXUWFJFHSA-N 2 2 347.503 3.163 20 0 EGADLP CC[N@@H+](CCO[C@@H]1CCCCO1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000181726447 528572141 /nfs/dbraw/zinc/57/21/41/528572141.db2.gz SZUAJCNKVPCDGT-HXUWFJFHSA-N 2 2 347.503 3.163 20 0 EGADLP CC(C)n1cc[nH+]c1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973535 528603465 /nfs/dbraw/zinc/60/34/65/528603465.db2.gz XQEKPSHIHVYMBQ-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc[nH+]c1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973535 528603472 /nfs/dbraw/zinc/60/34/72/528603472.db2.gz XQEKPSHIHVYMBQ-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000191516876 528864697 /nfs/dbraw/zinc/86/46/97/528864697.db2.gz HNCOJFAYRWSDBA-UHFFFAOYSA-N 2 2 329.404 3.001 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000191516876 528864703 /nfs/dbraw/zinc/86/47/03/528864703.db2.gz HNCOJFAYRWSDBA-UHFFFAOYSA-N 2 2 329.404 3.001 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000132895145 528986254 /nfs/dbraw/zinc/98/62/54/528986254.db2.gz NCCKNZQFVKSFFK-UHFFFAOYSA-N 2 2 342.439 3.307 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc2C1 ZINC000346219141 535252694 /nfs/dbraw/zinc/25/26/94/535252694.db2.gz RCLPUSBKZPXJLO-UHFFFAOYSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc2C1 ZINC000346219141 535252704 /nfs/dbraw/zinc/25/27/04/535252704.db2.gz RCLPUSBKZPXJLO-UHFFFAOYSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(CN3CCC(c4[nH]cc[nH+]4)CC3)sc2C1 ZINC000346219141 535252708 /nfs/dbraw/zinc/25/27/08/535252708.db2.gz RCLPUSBKZPXJLO-UHFFFAOYSA-N 2 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(CN3CCC(c4[nH]cc[nH+]4)CC3)sc2C1 ZINC000346219141 535252713 /nfs/dbraw/zinc/25/27/13/535252713.db2.gz RCLPUSBKZPXJLO-UHFFFAOYSA-N 2 2 345.516 3.012 20 0 EGADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H]1C ZINC000337858241 535777944 /nfs/dbraw/zinc/77/79/44/535777944.db2.gz ZOBCZHQKSHLLAB-HZPDHXFCSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H]1C ZINC000337858241 535777947 /nfs/dbraw/zinc/77/79/47/535777947.db2.gz ZOBCZHQKSHLLAB-HZPDHXFCSA-N 2 2 339.439 3.429 20 0 EGADLP COc1cc(C)c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000344547623 536575955 /nfs/dbraw/zinc/57/59/55/536575955.db2.gz VZLCQAGXXIHHAF-HNNXBMFYSA-N 2 2 329.444 3.184 20 0 EGADLP Cc1n[nH]cc1CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169091 546654467 /nfs/dbraw/zinc/65/44/67/546654467.db2.gz OTRODABGYPSCNC-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP Cc1n[nH]cc1CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169091 546654470 /nfs/dbraw/zinc/65/44/70/546654470.db2.gz OTRODABGYPSCNC-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP CC(C)OC1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000090772029 546660346 /nfs/dbraw/zinc/66/03/46/546660346.db2.gz BGNVUPMLFOQWPO-UHFFFAOYSA-N 2 2 331.504 3.372 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000155699515 546905417 /nfs/dbraw/zinc/90/54/17/546905417.db2.gz LNVLRWBLZBWSNX-KRWDZBQOSA-N 3 2 329.532 3.143 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000155699515 546905421 /nfs/dbraw/zinc/90/54/21/546905421.db2.gz LNVLRWBLZBWSNX-KRWDZBQOSA-N 3 2 329.532 3.143 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)c1 ZINC000156282850 546910345 /nfs/dbraw/zinc/91/03/45/546910345.db2.gz GAJJYLPPVVPRQU-HNNXBMFYSA-N 2 2 336.439 3.494 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)[nH+]c12 ZINC000156349828 546911461 /nfs/dbraw/zinc/91/14/61/546911461.db2.gz IGENEDHWYWYPDU-MRXNPFEDSA-N 2 2 346.438 3.117 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)CC1 ZINC000162760046 546967687 /nfs/dbraw/zinc/96/76/87/546967687.db2.gz ZWHNTXKZLZYMKO-KRWDZBQOSA-N 2 2 343.475 3.293 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000182844650 547086175 /nfs/dbraw/zinc/08/61/75/547086175.db2.gz YDSPORBMTMTCLR-UHFFFAOYSA-N 2 2 347.488 3.088 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602387 /nfs/dbraw/zinc/60/23/87/547602387.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602390 /nfs/dbraw/zinc/60/23/90/547602390.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602395 /nfs/dbraw/zinc/60/23/95/547602395.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000343468112 547602399 /nfs/dbraw/zinc/60/23/99/547602399.db2.gz HDHXPQRDRFHNDK-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000474817772 547954446 /nfs/dbraw/zinc/95/44/46/547954446.db2.gz KUIAOHRFHRFKKG-QRNKSROTSA-N 2 2 336.442 3.302 20 0 EGADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985739 548242795 /nfs/dbraw/zinc/24/27/95/548242795.db2.gz IGIJMQJQUAMBHV-HXUWFJFHSA-N 2 2 346.515 3.259 20 0 EGADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985739 548242803 /nfs/dbraw/zinc/24/28/03/548242803.db2.gz IGIJMQJQUAMBHV-HXUWFJFHSA-N 2 2 346.515 3.259 20 0 EGADLP Cc1ccccc1[C@@H]([C@H](C)Nc1cc(-n2cc[nH+]c2)ncn1)[NH+](C)C ZINC000672343010 548427507 /nfs/dbraw/zinc/42/75/07/548427507.db2.gz BHWBAQZAKSUZIR-HNAYVOBHSA-N 2 2 336.443 3.074 20 0 EGADLP C[N@H+](CCCOC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000674909405 548825688 /nfs/dbraw/zinc/82/56/88/548825688.db2.gz OOUKLXZULFEVPP-UHFFFAOYSA-N 2 2 333.520 3.226 20 0 EGADLP C[N@@H+](CCCOC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000674909405 548825693 /nfs/dbraw/zinc/82/56/93/548825693.db2.gz OOUKLXZULFEVPP-UHFFFAOYSA-N 2 2 333.520 3.226 20 0 EGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882609 548997015 /nfs/dbraw/zinc/99/70/15/548997015.db2.gz STHKNHMHWFHORI-RHSMWYFYSA-N 2 2 336.451 3.128 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677981265 549368945 /nfs/dbraw/zinc/36/89/45/549368945.db2.gz ZRDWGWVMSDYGDV-PHIMTYICSA-N 2 2 329.288 3.254 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677981265 549368948 /nfs/dbraw/zinc/36/89/48/549368948.db2.gz ZRDWGWVMSDYGDV-PHIMTYICSA-N 2 2 329.288 3.254 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(SC)cc1OC ZINC000678235234 549435696 /nfs/dbraw/zinc/43/56/96/549435696.db2.gz PQVHHUFSRNZVMR-HNNXBMFYSA-N 2 2 347.484 3.459 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(SC)cc1OC ZINC000678235234 549435699 /nfs/dbraw/zinc/43/56/99/549435699.db2.gz PQVHHUFSRNZVMR-HNNXBMFYSA-N 2 2 347.484 3.459 20 0 EGADLP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000678590449 549526614 /nfs/dbraw/zinc/52/66/14/549526614.db2.gz HRAATMBTNBWDMY-UBBRYJJRSA-N 2 2 338.495 3.261 20 0 EGADLP C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000678590449 549526618 /nfs/dbraw/zinc/52/66/18/549526618.db2.gz HRAATMBTNBWDMY-UBBRYJJRSA-N 2 2 338.495 3.261 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000682616569 550120713 /nfs/dbraw/zinc/12/07/13/550120713.db2.gz DSCGYJAHGOKOFQ-YSIASYRMSA-N 2 2 340.515 3.270 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000682616569 550120715 /nfs/dbraw/zinc/12/07/15/550120715.db2.gz DSCGYJAHGOKOFQ-YSIASYRMSA-N 2 2 340.515 3.270 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000684378228 550321795 /nfs/dbraw/zinc/32/17/95/550321795.db2.gz WQQHMRQADVYDNT-VKJFTORMSA-N 2 2 332.488 3.270 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000684378228 550321797 /nfs/dbraw/zinc/32/17/97/550321797.db2.gz WQQHMRQADVYDNT-VKJFTORMSA-N 2 2 332.488 3.270 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000684410392 550326725 /nfs/dbraw/zinc/32/67/25/550326725.db2.gz UXKGRESAQUDZIK-INIZCTEOSA-N 2 2 327.497 3.244 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000684410392 550326726 /nfs/dbraw/zinc/32/67/26/550326726.db2.gz UXKGRESAQUDZIK-INIZCTEOSA-N 2 2 327.497 3.244 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000727465797 574669549 /nfs/dbraw/zinc/66/95/49/574669549.db2.gz KIDPVWZOGDMBDV-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000727465797 574669551 /nfs/dbraw/zinc/66/95/51/574669551.db2.gz KIDPVWZOGDMBDV-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000729683425 574878696 /nfs/dbraw/zinc/87/86/96/574878696.db2.gz MSANZKVBXMMNBV-HKUYNNGSSA-N 2 2 326.440 3.208 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000729683425 574878698 /nfs/dbraw/zinc/87/86/98/574878698.db2.gz MSANZKVBXMMNBV-HKUYNNGSSA-N 2 2 326.440 3.208 20 0 EGADLP Cc1ccc([C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCC2)o1 ZINC000733190571 575319054 /nfs/dbraw/zinc/31/90/54/575319054.db2.gz JZVVTGBQLNDSLH-MRXNPFEDSA-N 2 2 341.459 3.227 20 0 EGADLP Cc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000734435236 575487288 /nfs/dbraw/zinc/48/72/88/575487288.db2.gz GUYLHTAKGVNHJU-GOSISDBHSA-N 2 2 341.455 3.498 20 0 EGADLP CN(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccsc1 ZINC000045822230 1291517809 /nfs/dbraw/zinc/51/78/09/1291517809.db2.gz BEEMENCLURKCND-SFHVURJKSA-N 2 2 326.469 3.326 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000046468484 1291540341 /nfs/dbraw/zinc/54/03/41/1291540341.db2.gz RSNGAEWAWSCGGL-KRWDZBQOSA-N 2 2 343.475 3.181 20 0 EGADLP Cc1c(O)ccc2c(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cc(=O)oc12 ZINC000072725352 1292288578 /nfs/dbraw/zinc/28/85/78/1292288578.db2.gz BJWSPUWRISFFMX-INIZCTEOSA-N 2 2 344.455 3.113 20 0 EGADLP Cc1c(O)ccc2c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cc(=O)oc12 ZINC000072725352 1292288583 /nfs/dbraw/zinc/28/85/83/1292288583.db2.gz BJWSPUWRISFFMX-INIZCTEOSA-N 2 2 344.455 3.113 20 0 EGADLP Cc1c(O)ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cc(=O)oc12 ZINC000072725352 1292288589 /nfs/dbraw/zinc/28/85/89/1292288589.db2.gz BJWSPUWRISFFMX-INIZCTEOSA-N 2 2 344.455 3.113 20 0 EGADLP Cc1c(O)ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cc(=O)oc12 ZINC000072725352 1292288596 /nfs/dbraw/zinc/28/85/96/1292288596.db2.gz BJWSPUWRISFFMX-INIZCTEOSA-N 2 2 344.455 3.113 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000076001495 1292417354 /nfs/dbraw/zinc/41/73/54/1292417354.db2.gz ALPMQNQVTALYLO-UYAOXDASSA-N 2 2 343.515 3.154 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000076001495 1292417358 /nfs/dbraw/zinc/41/73/58/1292417358.db2.gz ALPMQNQVTALYLO-UYAOXDASSA-N 2 2 343.515 3.154 20 0 EGADLP CCOC(=O)N1CCC([NH2+]C[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000079045072 1292541872 /nfs/dbraw/zinc/54/18/72/1292541872.db2.gz QLCRCBSLMJIBMW-LJQANCHMSA-N 2 2 347.503 3.280 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]1(O)CCc2ccccc21 ZINC000829358860 1292566041 /nfs/dbraw/zinc/56/60/41/1292566041.db2.gz OHBGFQPWLHKLBY-OAQYLSRUSA-N 2 2 333.435 3.138 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@]1(O)CCc2ccccc21 ZINC000829358860 1292566047 /nfs/dbraw/zinc/56/60/47/1292566047.db2.gz OHBGFQPWLHKLBY-OAQYLSRUSA-N 2 2 333.435 3.138 20 0 EGADLP COc1ccc(Br)c(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000087788248 1292747142 /nfs/dbraw/zinc/74/71/42/1292747142.db2.gz VBWWSGYRILVIDF-UHFFFAOYSA-N 2 2 327.266 3.033 20 0 EGADLP Fc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1F ZINC000107711690 1293071026 /nfs/dbraw/zinc/07/10/26/1293071026.db2.gz FHQNOOKWEUYRCL-UHFFFAOYSA-N 2 2 332.394 3.087 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000120791455 1293338731 /nfs/dbraw/zinc/33/87/31/1293338731.db2.gz GUHVMJBWARBRJH-QGZVFWFLSA-N 2 2 346.906 3.325 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000120791455 1293338740 /nfs/dbraw/zinc/33/87/40/1293338740.db2.gz GUHVMJBWARBRJH-QGZVFWFLSA-N 2 2 346.906 3.325 20 0 EGADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121494933 1293374497 /nfs/dbraw/zinc/37/44/97/1293374497.db2.gz OOVHFUYHCVMOOI-PBHICJAKSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121494933 1293374504 /nfs/dbraw/zinc/37/45/04/1293374504.db2.gz OOVHFUYHCVMOOI-PBHICJAKSA-N 2 2 327.457 3.349 20 0 EGADLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000183888057 1295155929 /nfs/dbraw/zinc/15/59/29/1295155929.db2.gz FNBPNXRACMLNRE-OAHLLOKOSA-N 2 2 342.409 3.365 20 0 EGADLP CC(C)[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000870959680 1296156197 /nfs/dbraw/zinc/15/61/97/1296156197.db2.gz QNIVBWMPIVLIEX-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)nc1 ZINC000236683378 1296195508 /nfs/dbraw/zinc/19/55/08/1296195508.db2.gz IKFGZKBCPNSPNM-SFTDATJTSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)c2)nc1 ZINC000236683378 1296195513 /nfs/dbraw/zinc/19/55/13/1296195513.db2.gz IKFGZKBCPNSPNM-SFTDATJTSA-N 2 2 337.467 3.377 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(O)c1F ZINC000872018464 1296659601 /nfs/dbraw/zinc/65/96/01/1296659601.db2.gz LMKOHFFIBPUPAT-OAHLLOKOSA-N 2 2 344.430 3.214 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000301756980 1296794283 /nfs/dbraw/zinc/79/42/83/1296794283.db2.gz FCJJZOVRECGNDJ-HLLBOEOZSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000301756980 1296794292 /nfs/dbraw/zinc/79/42/92/1296794292.db2.gz FCJJZOVRECGNDJ-HLLBOEOZSA-N 2 2 339.524 3.142 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)O[C@@H](C)C2 ZINC000378891609 1297526248 /nfs/dbraw/zinc/52/62/48/1297526248.db2.gz RBPSCTPJUPKDPN-IFXJQAMLSA-N 2 2 343.471 3.420 20 0 EGADLP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCC[NH2+]2)CC3)cc1 ZINC000691920301 1298139018 /nfs/dbraw/zinc/13/90/18/1298139018.db2.gz YNVNMQIKABVFSQ-HXUWFJFHSA-N 3 2 327.516 3.117 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692141500 1298140695 /nfs/dbraw/zinc/14/06/95/1298140695.db2.gz RFBGYOJVBWJEIF-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000724027146 1298343920 /nfs/dbraw/zinc/34/39/20/1298343920.db2.gz BJHDSZTWSGKUAX-YESZJQIVSA-N 2 2 341.540 3.246 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746196347 1298551306 /nfs/dbraw/zinc/55/13/06/1298551306.db2.gz APBGXFZNXJREMQ-FQEVSTJZSA-N 2 2 336.479 3.386 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000746196347 1298551313 /nfs/dbraw/zinc/55/13/13/1298551313.db2.gz APBGXFZNXJREMQ-FQEVSTJZSA-N 2 2 336.479 3.386 20 0 EGADLP CCCn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000876791023 1298990409 /nfs/dbraw/zinc/99/04/09/1298990409.db2.gz HUWANWOJSDQJAJ-KRWDZBQOSA-N 2 2 333.524 3.165 20 0 EGADLP CCCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000876791023 1298990423 /nfs/dbraw/zinc/99/04/23/1298990423.db2.gz HUWANWOJSDQJAJ-KRWDZBQOSA-N 2 2 333.524 3.165 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073726 1299145930 /nfs/dbraw/zinc/14/59/30/1299145930.db2.gz RDNIPXUDYRWLNJ-YOEHRIQHSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073726 1299145931 /nfs/dbraw/zinc/14/59/31/1299145931.db2.gz RDNIPXUDYRWLNJ-YOEHRIQHSA-N 2 2 330.863 3.130 20 0 EGADLP C[N@H+](C[C@H]1CC1(Cl)Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750185448 1299353742 /nfs/dbraw/zinc/35/37/42/1299353742.db2.gz OBRRXRGAIHNQOQ-CQSZACIVSA-N 2 2 342.314 3.214 20 0 EGADLP C[N@@H+](C[C@H]1CC1(Cl)Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750185448 1299353754 /nfs/dbraw/zinc/35/37/54/1299353754.db2.gz OBRRXRGAIHNQOQ-CQSZACIVSA-N 2 2 342.314 3.214 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665603 1299466390 /nfs/dbraw/zinc/46/63/90/1299466390.db2.gz CGAMABPHIOIORG-RHSMWYFYSA-N 2 2 331.410 3.218 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665603 1299466392 /nfs/dbraw/zinc/46/63/92/1299466392.db2.gz CGAMABPHIOIORG-RHSMWYFYSA-N 2 2 331.410 3.218 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000878318663 1299914446 /nfs/dbraw/zinc/91/44/46/1299914446.db2.gz BLQOONSMOQRLGC-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878318663 1299914455 /nfs/dbraw/zinc/91/44/55/1299914455.db2.gz BLQOONSMOQRLGC-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@@H+]1C ZINC000756127079 1300443089 /nfs/dbraw/zinc/44/30/89/1300443089.db2.gz HETXMDNUAMILGW-UKRRQHHQSA-N 2 2 334.464 3.001 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@H+]1C ZINC000756127079 1300443091 /nfs/dbraw/zinc/44/30/91/1300443091.db2.gz HETXMDNUAMILGW-UKRRQHHQSA-N 2 2 334.464 3.001 20 0 EGADLP CO[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)Cc1ccccc1 ZINC000880568843 1301163883 /nfs/dbraw/zinc/16/38/83/1301163883.db2.gz FAXPXJFNXOMFGS-RTWAWAEBSA-N 2 2 335.451 3.472 20 0 EGADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCCCCC1 ZINC000880568301 1301164804 /nfs/dbraw/zinc/16/48/04/1301164804.db2.gz WOYWSMZMAOBMIE-IBGZPJMESA-N 2 2 340.471 3.053 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860225 1301178874 /nfs/dbraw/zinc/17/88/74/1301178874.db2.gz YYSQGEUSTMDYSP-KBXCAEBGSA-N 2 2 340.870 3.320 20 0 EGADLP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860225 1301178884 /nfs/dbraw/zinc/17/88/84/1301178884.db2.gz YYSQGEUSTMDYSP-KBXCAEBGSA-N 2 2 340.870 3.320 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)ncc1F ZINC000762736595 1301741189 /nfs/dbraw/zinc/74/11/89/1301741189.db2.gz RAGDGEJYSVSYNH-SDDRHHMPSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)ncc1F ZINC000762736595 1301741192 /nfs/dbraw/zinc/74/11/92/1301741192.db2.gz RAGDGEJYSVSYNH-SDDRHHMPSA-N 2 2 342.256 3.261 20 0 EGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765975802 1302360043 /nfs/dbraw/zinc/36/00/43/1302360043.db2.gz KIINEDRUEQWWGS-WMZOPIPTSA-N 2 2 332.488 3.298 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766272492 1302419321 /nfs/dbraw/zinc/41/93/21/1302419321.db2.gz JIVVGJUQYZWFCG-HOTGVXAUSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766272492 1302419326 /nfs/dbraw/zinc/41/93/26/1302419326.db2.gz JIVVGJUQYZWFCG-HOTGVXAUSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769875827 1303186680 /nfs/dbraw/zinc/18/66/80/1303186680.db2.gz XNFXGKUNIYYORE-HLIPFELVSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000769875827 1303186685 /nfs/dbraw/zinc/18/66/85/1303186685.db2.gz XNFXGKUNIYYORE-HLIPFELVSA-N 2 2 344.499 3.477 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000886315262 1303431672 /nfs/dbraw/zinc/43/16/72/1303431672.db2.gz CZPNBEQSNRHMRE-RXVVDRJESA-N 2 2 346.515 3.072 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000886315262 1303431676 /nfs/dbraw/zinc/43/16/76/1303431676.db2.gz CZPNBEQSNRHMRE-RXVVDRJESA-N 2 2 346.515 3.072 20 0 EGADLP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886663161 1303543688 /nfs/dbraw/zinc/54/36/88/1303543688.db2.gz UIZBGQYXRWZOQM-GOSISDBHSA-N 2 2 341.455 3.429 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCc3nccs3)CC2)cc1 ZINC000773003485 1303605119 /nfs/dbraw/zinc/60/51/19/1303605119.db2.gz DVPYLDUZINJINT-UHFFFAOYSA-N 2 2 344.528 3.400 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867940 1303619307 /nfs/dbraw/zinc/61/93/07/1303619307.db2.gz RIIUURRVBAQDDT-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867940 1303619312 /nfs/dbraw/zinc/61/93/12/1303619312.db2.gz RIIUURRVBAQDDT-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cnccc1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773104575 1303624935 /nfs/dbraw/zinc/62/49/35/1303624935.db2.gz OGVMKYFEEBUABS-UHFFFAOYSA-N 2 2 338.499 3.257 20 0 EGADLP Fc1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000776799602 1304201194 /nfs/dbraw/zinc/20/11/94/1304201194.db2.gz JFDYCJSUTAKSGR-KRWDZBQOSA-N 2 2 326.843 3.212 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779059365 1304523853 /nfs/dbraw/zinc/52/38/53/1304523853.db2.gz XIJKTRJPCSTRHB-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779059365 1304523855 /nfs/dbraw/zinc/52/38/55/1304523855.db2.gz XIJKTRJPCSTRHB-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000779078713 1304526978 /nfs/dbraw/zinc/52/69/78/1304526978.db2.gz PCTCZSGSKCJHFN-HZPDHXFCSA-N 2 2 348.491 3.119 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(C(=O)OC)CCC1 ZINC000779395495 1304565947 /nfs/dbraw/zinc/56/59/47/1304565947.db2.gz RMSJDPRGJMFFRO-QGZVFWFLSA-N 2 2 327.428 3.084 20 0 EGADLP CCc1cc(NC2CC[NH+](Cc3cccc(OC)c3)CC2)nc(C)[nH+]1 ZINC000782142822 1304920962 /nfs/dbraw/zinc/92/09/62/1304920962.db2.gz QBEIQHQGYZMYQA-UHFFFAOYSA-N 2 2 340.471 3.433 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228240 1305287279 /nfs/dbraw/zinc/28/72/79/1305287279.db2.gz NPULKAGJFUQVPA-AAEUAGOBSA-N 2 2 333.423 3.164 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228240 1305287287 /nfs/dbraw/zinc/28/72/87/1305287287.db2.gz NPULKAGJFUQVPA-AAEUAGOBSA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228240 1305287290 /nfs/dbraw/zinc/28/72/90/1305287290.db2.gz NPULKAGJFUQVPA-AAEUAGOBSA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228240 1305287296 /nfs/dbraw/zinc/28/72/96/1305287296.db2.gz NPULKAGJFUQVPA-AAEUAGOBSA-N 2 2 333.423 3.164 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250579 1305907517 /nfs/dbraw/zinc/90/75/17/1305907517.db2.gz SJIZSTYBYUYPEA-IAGOWNOFSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250579 1305907525 /nfs/dbraw/zinc/90/75/25/1305907525.db2.gz SJIZSTYBYUYPEA-IAGOWNOFSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046627 1306190150 /nfs/dbraw/zinc/19/01/50/1306190150.db2.gz XEZSYAKBQORNRW-CABCVRRESA-N 2 2 343.471 3.259 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046627 1306190155 /nfs/dbraw/zinc/19/01/55/1306190155.db2.gz XEZSYAKBQORNRW-CABCVRRESA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046627 1306190158 /nfs/dbraw/zinc/19/01/58/1306190158.db2.gz XEZSYAKBQORNRW-CABCVRRESA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@H]1C ZINC000894046627 1306190166 /nfs/dbraw/zinc/19/01/66/1306190166.db2.gz XEZSYAKBQORNRW-CABCVRRESA-N 2 2 343.471 3.259 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3nccc4ccccc43)[nH+]c2)C1 ZINC000894360019 1306360272 /nfs/dbraw/zinc/36/02/72/1306360272.db2.gz SFHVMYLWKMAZPR-SFHVURJKSA-N 2 2 347.466 3.382 20 0 EGADLP CC(C)(CNc1[nH+]cnc2c1cnn2C(C)(C)C)C[NH+]1CCCC1 ZINC000790818106 1308869215 /nfs/dbraw/zinc/86/92/15/1308869215.db2.gz PPRCAHFOSLEAGZ-UHFFFAOYSA-N 2 2 330.480 3.115 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000796702344 1310067243 /nfs/dbraw/zinc/06/72/43/1310067243.db2.gz MJLNEHHZRQMWRE-YJBOKZPZSA-N 2 2 338.459 3.229 20 0 EGADLP Fc1cccc(OCCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000898444789 1310738498 /nfs/dbraw/zinc/73/84/98/1310738498.db2.gz MATZGLFJBSXGEF-UHFFFAOYSA-N 2 2 329.419 3.248 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000800483764 1310767685 /nfs/dbraw/zinc/76/76/85/1310767685.db2.gz OQKKWICGRFIIBJ-YLJYHZDGSA-N 2 2 331.504 3.446 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019139441 1317068632 /nfs/dbraw/zinc/06/86/32/1317068632.db2.gz ASGGQRZMNSJBHQ-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)C2)c(C)[nH+]1 ZINC001019171785 1317086996 /nfs/dbraw/zinc/08/69/96/1317086996.db2.gz PKGBUIOYPPVNCU-KRWDZBQOSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000957337170 1317291791 /nfs/dbraw/zinc/29/17/91/1317291791.db2.gz LVGHHTWUWWPNIC-IAGOWNOFSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)c1c[nH+]c[nH]1 ZINC001019656334 1317319629 /nfs/dbraw/zinc/31/96/29/1317319629.db2.gz BJFLTNFHOHGOSW-INIZCTEOSA-N 2 2 346.519 3.094 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000806364526 1317483927 /nfs/dbraw/zinc/48/39/27/1317483927.db2.gz YYECPKNLYYNYDX-UHFFFAOYSA-N 2 2 347.507 3.186 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1Cn1cccn1 ZINC000902481740 1317582359 /nfs/dbraw/zinc/58/23/59/1317582359.db2.gz GHVSFTZTQNQBHD-LPHOPBHVSA-N 2 2 342.487 3.123 20 0 EGADLP CC[N@H+](CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)C(C)C ZINC000957713025 1317584035 /nfs/dbraw/zinc/58/40/35/1317584035.db2.gz HOXVAYKICXSCCD-UHFFFAOYSA-N 2 2 342.487 3.225 20 0 EGADLP CC[N@@H+](CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)C(C)C ZINC000957713025 1317584038 /nfs/dbraw/zinc/58/40/38/1317584038.db2.gz HOXVAYKICXSCCD-UHFFFAOYSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)c[nH+]1 ZINC001020286038 1317627308 /nfs/dbraw/zinc/62/73/08/1317627308.db2.gz QHEPWCBZWHWXQY-IYARVYRRSA-N 2 2 346.519 3.134 20 0 EGADLP CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000957768757 1317632698 /nfs/dbraw/zinc/63/26/98/1317632698.db2.gz SWAPZUCIUWABPA-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CC1CCCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000957768757 1317632705 /nfs/dbraw/zinc/63/27/05/1317632705.db2.gz SWAPZUCIUWABPA-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000808181885 1317641787 /nfs/dbraw/zinc/64/17/87/1317641787.db2.gz NVJASFKVFJFHOQ-FQEVSTJZSA-N 2 2 344.503 3.005 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000903054136 1317642861 /nfs/dbraw/zinc/64/28/61/1317642861.db2.gz GYRRWNSAUGPHRR-RRMPHLOHSA-N 2 2 344.499 3.162 20 0 EGADLP CCC[N@H+](CC[C@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000903829810 1317739284 /nfs/dbraw/zinc/73/92/84/1317739284.db2.gz LIXZODCGTKNPRC-LJQANCHMSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000903829810 1317739286 /nfs/dbraw/zinc/73/92/86/1317739286.db2.gz LIXZODCGTKNPRC-LJQANCHMSA-N 3 2 329.532 3.363 20 0 EGADLP [NH3+][C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CC(F)F ZINC000903920745 1317749297 /nfs/dbraw/zinc/74/92/97/1317749297.db2.gz LJAJWROJEOHUPF-KRWDZBQOSA-N 3 2 325.447 3.135 20 0 EGADLP CCCCCNC(=O)C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904308020 1317828133 /nfs/dbraw/zinc/82/81/33/1317828133.db2.gz JKCZEMGGDDMOBM-KRWDZBQOSA-N 2 2 325.541 3.158 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904645214 1317874090 /nfs/dbraw/zinc/87/40/90/1317874090.db2.gz UXKYCZMAHGKCJT-AWEZNQCLSA-N 2 2 344.484 3.118 20 0 EGADLP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000905180387 1317932394 /nfs/dbraw/zinc/93/23/94/1317932394.db2.gz PSRFLFHJEFUAFC-DYESRHJHSA-N 2 2 339.483 3.239 20 0 EGADLP CC(C)[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+](C)C ZINC000907815243 1318264848 /nfs/dbraw/zinc/26/48/48/1318264848.db2.gz JWJZCDZNBNGYCK-YJBOKZPZSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)[C@@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[NH+](C)C ZINC000907815243 1318264855 /nfs/dbraw/zinc/26/48/55/1318264855.db2.gz JWJZCDZNBNGYCK-YJBOKZPZSA-N 2 2 346.519 3.017 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575966 1318422368 /nfs/dbraw/zinc/42/23/68/1318422368.db2.gz PTLZTTOAFAGUQF-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575966 1318422373 /nfs/dbraw/zinc/42/23/73/1318422373.db2.gz PTLZTTOAFAGUQF-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575968 1318423128 /nfs/dbraw/zinc/42/31/28/1318423128.db2.gz PTLZTTOAFAGUQF-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575968 1318423133 /nfs/dbraw/zinc/42/31/33/1318423133.db2.gz PTLZTTOAFAGUQF-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723196 1318609309 /nfs/dbraw/zinc/60/93/09/1318609309.db2.gz RYCZQORPVPMPNU-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723196 1318609316 /nfs/dbraw/zinc/60/93/16/1318609316.db2.gz RYCZQORPVPMPNU-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP CCc1nc(C)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000813794555 1318633151 /nfs/dbraw/zinc/63/31/51/1318633151.db2.gz BPFSIKFUVMLHJI-UHFFFAOYSA-N 2 2 342.487 3.370 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)c[nH+]1 ZINC000960709438 1318812295 /nfs/dbraw/zinc/81/22/95/1318812295.db2.gz LATJJMMQHHXYBA-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)c[nH+]1 ZINC000960709438 1318812305 /nfs/dbraw/zinc/81/23/05/1318812305.db2.gz LATJJMMQHHXYBA-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001022285054 1318874879 /nfs/dbraw/zinc/87/48/79/1318874879.db2.gz CEKOCVVWOWCVRX-FCEWJHQRSA-N 2 2 346.434 3.101 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001022424371 1318936168 /nfs/dbraw/zinc/93/61/68/1318936168.db2.gz ZVUBYBDJJIHIIB-RYQLBKOJSA-N 2 2 348.450 3.254 20 0 EGADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000912814293 1318939527 /nfs/dbraw/zinc/93/95/27/1318939527.db2.gz VFUKNZFAIJXXAU-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001022889735 1319152259 /nfs/dbraw/zinc/15/22/59/1319152259.db2.gz YCPWMSAFSOOXBM-UCUFBTAOSA-N 2 2 346.519 3.042 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000818203939 1319516777 /nfs/dbraw/zinc/51/67/77/1319516777.db2.gz NIXCNRRCHMNLJO-HNNXBMFYSA-N 2 2 338.467 3.471 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000822129190 1320056821 /nfs/dbraw/zinc/05/68/21/1320056821.db2.gz RZYZXMJMZZUFJY-RRFJBIMHSA-N 2 2 339.524 3.141 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000822129190 1320056823 /nfs/dbraw/zinc/05/68/23/1320056823.db2.gz RZYZXMJMZZUFJY-RRFJBIMHSA-N 2 2 339.524 3.141 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508158 1328881793 /nfs/dbraw/zinc/88/17/93/1328881793.db2.gz DMAGMOBGFLZEBA-WMLDXEAASA-N 2 2 334.423 3.128 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508158 1328881800 /nfs/dbraw/zinc/88/18/00/1328881800.db2.gz DMAGMOBGFLZEBA-WMLDXEAASA-N 2 2 334.423 3.128 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H](O)C(C)C ZINC000840882604 1321169707 /nfs/dbraw/zinc/16/97/07/1321169707.db2.gz QIQIVWTUPKWZTH-VQTJNVASSA-N 2 2 333.520 3.107 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843057864 1321463641 /nfs/dbraw/zinc/46/36/41/1321463641.db2.gz MZVMBYRQOBMONJ-YOEHRIQHSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843057864 1321463644 /nfs/dbraw/zinc/46/36/44/1321463644.db2.gz MZVMBYRQOBMONJ-YOEHRIQHSA-N 2 2 346.906 3.371 20 0 EGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000846217837 1321776903 /nfs/dbraw/zinc/77/69/03/1321776903.db2.gz FDKVMCZUPAKDMM-INIZCTEOSA-N 2 2 341.293 3.342 20 0 EGADLP [NH3+]CCCCCC[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000846217837 1321776905 /nfs/dbraw/zinc/77/69/05/1321776905.db2.gz FDKVMCZUPAKDMM-INIZCTEOSA-N 2 2 341.293 3.342 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc(-c3ccccc3)cc1)C2 ZINC000846225195 1321777407 /nfs/dbraw/zinc/77/74/07/1321777407.db2.gz JRJJMXXRGQIENN-UGKGYDQZSA-N 2 2 349.478 3.353 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(-c3ccccc3)cc1)C2 ZINC000846225195 1321777409 /nfs/dbraw/zinc/77/74/09/1321777409.db2.gz JRJJMXXRGQIENN-UGKGYDQZSA-N 2 2 349.478 3.353 20 0 EGADLP CC(C)CCNC(=[NH2+])NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000849078272 1322068943 /nfs/dbraw/zinc/06/89/43/1322068943.db2.gz ZFLMWQWPIUAVRC-GOSISDBHSA-N 2 2 334.508 3.237 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ncccn2)ccc1OC ZINC000850550625 1322264053 /nfs/dbraw/zinc/26/40/53/1322264053.db2.gz AUQGCYHEPDSRBR-HNNXBMFYSA-N 2 2 328.460 3.178 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850556364 1322266219 /nfs/dbraw/zinc/26/62/19/1322266219.db2.gz GXICLUSVHDVDHH-PMACEKPBSA-N 2 2 344.499 3.306 20 0 EGADLP CCc1[nH]nc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000921643360 1322369176 /nfs/dbraw/zinc/36/91/76/1322369176.db2.gz NCBIAVPTPREUFX-LLVKDONJSA-N 2 2 335.883 3.224 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Br)n1 ZINC000924578817 1323060792 /nfs/dbraw/zinc/06/07/92/1323060792.db2.gz RUTQHWPDIZHWKW-ZDUSSCGKSA-N 2 2 326.282 3.371 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001024041394 1323093762 /nfs/dbraw/zinc/09/37/62/1323093762.db2.gz YXXXZVHARTXINO-KRWDZBQOSA-N 2 2 348.450 3.205 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(Br)ccc1F ZINC000924730808 1323137191 /nfs/dbraw/zinc/13/71/91/1323137191.db2.gz GVBSRXOLNZZGFU-NSHDSACASA-N 2 2 341.228 3.311 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000924777495 1323159680 /nfs/dbraw/zinc/15/96/80/1323159680.db2.gz QAOZJSRCQDDVNC-LSDHHAIUSA-N 2 2 343.471 3.363 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000924777495 1323159676 /nfs/dbraw/zinc/15/96/76/1323159676.db2.gz QAOZJSRCQDDVNC-LSDHHAIUSA-N 2 2 343.471 3.363 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1F ZINC000924805882 1323170816 /nfs/dbraw/zinc/17/08/16/1323170816.db2.gz LQQUYMNSBQQKIT-XPGWFJOJSA-N 2 2 349.469 3.398 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1F ZINC000924805882 1323170826 /nfs/dbraw/zinc/17/08/26/1323170826.db2.gz LQQUYMNSBQQKIT-XPGWFJOJSA-N 2 2 349.469 3.398 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440461 1323401468 /nfs/dbraw/zinc/40/14/68/1323401468.db2.gz PFAKFCGVQBHHEJ-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440461 1323401476 /nfs/dbraw/zinc/40/14/76/1323401476.db2.gz PFAKFCGVQBHHEJ-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(Cc4ccccc4)n3)C[C@@H]2C1 ZINC000931433042 1329117142 /nfs/dbraw/zinc/11/71/42/1329117142.db2.gz NNVRHCURNQTCDL-SJORKVTESA-N 2 2 327.497 3.117 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(Cc4ccccc4)n3)C[C@@H]2C1 ZINC000931433042 1329117145 /nfs/dbraw/zinc/11/71/45/1329117145.db2.gz NNVRHCURNQTCDL-SJORKVTESA-N 2 2 327.497 3.117 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(Cc4ccccc4)n3)C[C@@H]2C1 ZINC000931433042 1329117146 /nfs/dbraw/zinc/11/71/46/1329117146.db2.gz NNVRHCURNQTCDL-SJORKVTESA-N 2 2 327.497 3.117 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(Cc4ccccc4)n3)C[C@@H]2C1 ZINC000931433042 1329117150 /nfs/dbraw/zinc/11/71/50/1329117150.db2.gz NNVRHCURNQTCDL-SJORKVTESA-N 2 2 327.497 3.117 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001025101457 1323896044 /nfs/dbraw/zinc/89/60/44/1323896044.db2.gz ABIXHRKDZWLSRS-PKOBYXMFSA-N 2 2 340.471 3.005 20 0 EGADLP Nc1cc[nH+]c2c1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000931516682 1329133883 /nfs/dbraw/zinc/13/38/83/1329133883.db2.gz YNEHCFIUIMFPOX-UHFFFAOYSA-N 3 2 336.483 3.208 20 0 EGADLP Nc1cc[nH+]c2c1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000931516682 1329133886 /nfs/dbraw/zinc/13/38/86/1329133886.db2.gz YNEHCFIUIMFPOX-UHFFFAOYSA-N 3 2 336.483 3.208 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459730 1324304763 /nfs/dbraw/zinc/30/47/63/1324304763.db2.gz RTXZCSFQNSIRGO-LSDHHAIUSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459730 1324304770 /nfs/dbraw/zinc/30/47/70/1324304770.db2.gz RTXZCSFQNSIRGO-LSDHHAIUSA-N 2 2 328.460 3.049 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000931726453 1329172820 /nfs/dbraw/zinc/17/28/20/1329172820.db2.gz MGAXDKLTYPHJFM-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000931726453 1329172822 /nfs/dbraw/zinc/17/28/22/1329172822.db2.gz MGAXDKLTYPHJFM-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000931726453 1329172824 /nfs/dbraw/zinc/17/28/24/1329172824.db2.gz MGAXDKLTYPHJFM-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000931726453 1329172826 /nfs/dbraw/zinc/17/28/26/1329172826.db2.gz MGAXDKLTYPHJFM-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000925276668 1325110482 /nfs/dbraw/zinc/11/04/82/1325110482.db2.gz AAJZMBYCRJPLPG-KSVNGYGVSA-N 2 2 343.471 3.490 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000925276668 1325110488 /nfs/dbraw/zinc/11/04/88/1325110488.db2.gz AAJZMBYCRJPLPG-KSVNGYGVSA-N 2 2 343.471 3.490 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001026966337 1325112344 /nfs/dbraw/zinc/11/23/44/1325112344.db2.gz RUYVVFIEAUZPLP-LKGZKJKYSA-N 2 2 329.488 3.105 20 0 EGADLP c1ccc(COCc2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)cc2)cc1 ZINC000925545674 1325201610 /nfs/dbraw/zinc/20/16/10/1325201610.db2.gz JOEMASBHYXRSOP-FADBTOOJSA-N 2 2 348.490 3.489 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c(C)c2c1 ZINC000925550076 1325203920 /nfs/dbraw/zinc/20/39/20/1325203920.db2.gz PQKULWRNSWIAAZ-FBPKJDBXSA-N 2 2 326.440 3.397 20 0 EGADLP Cn1c(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)nc2cccc(Cl)c21 ZINC000925642261 1325244417 /nfs/dbraw/zinc/24/44/17/1325244417.db2.gz RZNHZBNREANEPV-ZTFRIQLXSA-N 2 2 332.879 3.093 20 0 EGADLP C[C@@H](Cc1ccccn1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905500 1325352581 /nfs/dbraw/zinc/35/25/81/1325352581.db2.gz FWMGKJTYTJLRQC-INIZCTEOSA-N 2 2 339.487 3.050 20 0 EGADLP CS[C@@H]1CCC[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000925938446 1325365002 /nfs/dbraw/zinc/36/50/02/1325365002.db2.gz YBUNIUDVWRAHAO-DJIMGWMZSA-N 2 2 334.533 3.308 20 0 EGADLP CC(C)(C)OC(=O)NCC1CC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000926296941 1325507014 /nfs/dbraw/zinc/50/70/14/1325507014.db2.gz ZUCTULWXQKNEMP-UHFFFAOYSA-N 2 2 339.524 3.001 20 0 EGADLP CC(C)(C)OC(=O)NCC1CC([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000926296941 1325507020 /nfs/dbraw/zinc/50/70/20/1325507020.db2.gz ZUCTULWXQKNEMP-UHFFFAOYSA-N 2 2 339.524 3.001 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424165 1325549125 /nfs/dbraw/zinc/54/91/25/1325549125.db2.gz MNLZDOXQOZYLEV-YESZJQIVSA-N 2 2 342.405 3.345 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424165 1325549131 /nfs/dbraw/zinc/54/91/31/1325549131.db2.gz MNLZDOXQOZYLEV-YESZJQIVSA-N 2 2 342.405 3.345 20 0 EGADLP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509945 1327775324 /nfs/dbraw/zinc/77/53/24/1327775324.db2.gz KRCMHWIMNHZQAW-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001027509945 1327775330 /nfs/dbraw/zinc/77/53/30/1327775330.db2.gz KRCMHWIMNHZQAW-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597057 1327947515 /nfs/dbraw/zinc/94/75/15/1327947515.db2.gz DLBUNBZDBWOPQA-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597057 1327947519 /nfs/dbraw/zinc/94/75/19/1327947519.db2.gz DLBUNBZDBWOPQA-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633431 1327997809 /nfs/dbraw/zinc/99/78/09/1327997809.db2.gz WSGYMQZNKYHXPC-ROUUACIJSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633431 1327997814 /nfs/dbraw/zinc/99/78/14/1327997814.db2.gz WSGYMQZNKYHXPC-ROUUACIJSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCC(C)C)CC[C@@H]3C)ccn12 ZINC000966133629 1328201654 /nfs/dbraw/zinc/20/16/54/1328201654.db2.gz OKOZIBADLKXVPR-MAUKXSAKSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCC(C)C)CC[C@@H]3C)ccn12 ZINC000966133629 1328201660 /nfs/dbraw/zinc/20/16/60/1328201660.db2.gz OKOZIBADLKXVPR-MAUKXSAKSA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052653 1328517211 /nfs/dbraw/zinc/51/72/11/1328517211.db2.gz BHDXNWQETABDDZ-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052653 1328517219 /nfs/dbraw/zinc/51/72/19/1328517219.db2.gz BHDXNWQETABDDZ-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP COc1cccc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)oc21 ZINC000863646046 1329570329 /nfs/dbraw/zinc/57/03/29/1329570329.db2.gz PJNCSGHDLMLUSW-TZMCWYRMSA-N 2 2 342.361 3.401 20 0 EGADLP COc1cccc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)oc21 ZINC000863646046 1329570330 /nfs/dbraw/zinc/57/03/30/1329570330.db2.gz PJNCSGHDLMLUSW-TZMCWYRMSA-N 2 2 342.361 3.401 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152479 1348198070 /nfs/dbraw/zinc/19/80/70/1348198070.db2.gz QVBOMDHTSBSHRF-NZSAHSFTSA-N 2 2 346.519 3.193 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152479 1348198072 /nfs/dbraw/zinc/19/80/72/1348198072.db2.gz QVBOMDHTSBSHRF-NZSAHSFTSA-N 2 2 346.519 3.193 20 0 EGADLP Brc1ncccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000865445681 1329698282 /nfs/dbraw/zinc/69/82/82/1329698282.db2.gz LRJSQYPPGDDQEX-UHFFFAOYSA-N 2 2 335.249 3.221 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000932764193 1329840109 /nfs/dbraw/zinc/84/01/09/1329840109.db2.gz ZMPHSWHPGPJRMX-UHFFFAOYSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933392899 1329885566 /nfs/dbraw/zinc/88/55/66/1329885566.db2.gz QACRXFGJVLISIE-MRXNPFEDSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933392899 1329885568 /nfs/dbraw/zinc/88/55/68/1329885568.db2.gz QACRXFGJVLISIE-MRXNPFEDSA-N 2 2 348.450 3.300 20 0 EGADLP CCC[N@H+](CCn1ccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189366 1329953748 /nfs/dbraw/zinc/95/37/48/1329953748.db2.gz XVIBHTKAETYVRU-UHFFFAOYSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[N@@H+](CCn1ccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189366 1329953749 /nfs/dbraw/zinc/95/37/49/1329953749.db2.gz XVIBHTKAETYVRU-UHFFFAOYSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[N@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190023 1329953754 /nfs/dbraw/zinc/95/37/54/1329953754.db2.gz UUOKVOXNMSEAEZ-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP CCC[N@@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190023 1329953755 /nfs/dbraw/zinc/95/37/55/1329953755.db2.gz UUOKVOXNMSEAEZ-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935172509 1330033236 /nfs/dbraw/zinc/03/32/36/1330033236.db2.gz SUGVCUZLTNGGIC-HZPDHXFCSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935172509 1330033238 /nfs/dbraw/zinc/03/32/38/1330033238.db2.gz SUGVCUZLTNGGIC-HZPDHXFCSA-N 2 2 348.450 3.298 20 0 EGADLP CC(C)[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccn1 ZINC000866324259 1330096722 /nfs/dbraw/zinc/09/67/22/1330096722.db2.gz QDQLHONYBKNRNE-XLIONFOSSA-N 2 2 339.487 3.426 20 0 EGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590987 1330130124 /nfs/dbraw/zinc/13/01/24/1330130124.db2.gz ZNLUGIYSBGLMLM-CQSZACIVSA-N 2 2 339.886 3.252 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000866662149 1330138832 /nfs/dbraw/zinc/13/88/32/1330138832.db2.gz XVEMYFCFPPMHEQ-YXWQFLTLSA-N 2 2 335.879 3.035 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000866662149 1330138835 /nfs/dbraw/zinc/13/88/35/1330138835.db2.gz XVEMYFCFPPMHEQ-YXWQFLTLSA-N 2 2 335.879 3.035 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947881817 1333290177 /nfs/dbraw/zinc/29/01/77/1333290177.db2.gz JRCYQYLORZTTJC-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947881817 1333290179 /nfs/dbraw/zinc/29/01/79/1333290179.db2.gz JRCYQYLORZTTJC-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617041 1333598329 /nfs/dbraw/zinc/59/83/29/1333598329.db2.gz MKRAOVUEEATTBE-JKSUJKDBSA-N 2 2 346.450 3.009 20 0 EGADLP CC[C@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617041 1333598331 /nfs/dbraw/zinc/59/83/31/1333598331.db2.gz MKRAOVUEEATTBE-JKSUJKDBSA-N 2 2 346.450 3.009 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948618011 1333598719 /nfs/dbraw/zinc/59/87/19/1333598719.db2.gz ZKBCFNRLYVEZES-KRWDZBQOSA-N 2 2 340.471 3.227 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948618011 1333598722 /nfs/dbraw/zinc/59/87/22/1333598722.db2.gz ZKBCFNRLYVEZES-KRWDZBQOSA-N 2 2 340.471 3.227 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767550 1333670725 /nfs/dbraw/zinc/67/07/25/1333670725.db2.gz YFCPFYGOJAEQNC-SJORKVTESA-N 2 2 344.503 3.109 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767550 1333670730 /nfs/dbraw/zinc/67/07/30/1333670730.db2.gz YFCPFYGOJAEQNC-SJORKVTESA-N 2 2 344.503 3.109 20 0 EGADLP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950787460 1334129283 /nfs/dbraw/zinc/12/92/83/1334129283.db2.gz NTXMTPZJCJFTIN-MRXNPFEDSA-N 2 2 348.450 3.011 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950961937 1334161201 /nfs/dbraw/zinc/16/12/01/1334161201.db2.gz HOLYXXPLQCXWAS-PKOBYXMFSA-N 2 2 340.471 3.130 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC000970128284 1336282648 /nfs/dbraw/zinc/28/26/48/1336282648.db2.gz FRUOANPGKLRSTH-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000970150584 1336284822 /nfs/dbraw/zinc/28/48/22/1336284822.db2.gz MBPWSGDLFOANAV-HZPDHXFCSA-N 2 2 348.450 3.146 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805707 1371174719 /nfs/dbraw/zinc/17/47/19/1371174719.db2.gz CQULUEORKJZDTB-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206805707 1371174722 /nfs/dbraw/zinc/17/47/22/1371174722.db2.gz CQULUEORKJZDTB-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937187 1337959218 /nfs/dbraw/zinc/95/92/18/1337959218.db2.gz KIYGHTUBDZVOOQ-NCRRVARUSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937187 1337959226 /nfs/dbraw/zinc/95/92/26/1337959226.db2.gz KIYGHTUBDZVOOQ-NCRRVARUSA-N 2 2 346.434 3.080 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001014939274 1337960435 /nfs/dbraw/zinc/96/04/35/1337960435.db2.gz BQAFUORFRUZMME-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001014939274 1337960440 /nfs/dbraw/zinc/96/04/40/1337960440.db2.gz BQAFUORFRUZMME-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939301 1337960473 /nfs/dbraw/zinc/96/04/73/1337960473.db2.gz CLDPCWCVRJGEEP-YJBOKZPZSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939301 1337960478 /nfs/dbraw/zinc/96/04/78/1337960478.db2.gz CLDPCWCVRJGEEP-YJBOKZPZSA-N 2 2 348.450 3.437 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632981 1340736130 /nfs/dbraw/zinc/73/61/30/1340736130.db2.gz UBNUXQCOPFCKEY-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632981 1340736133 /nfs/dbraw/zinc/73/61/33/1340736133.db2.gz UBNUXQCOPFCKEY-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029767410 1341066719 /nfs/dbraw/zinc/06/67/19/1341066719.db2.gz RJYPLCZGFLXLOO-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029767410 1341066721 /nfs/dbraw/zinc/06/67/21/1341066721.db2.gz RJYPLCZGFLXLOO-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001030387698 1341184218 /nfs/dbraw/zinc/18/42/18/1341184218.db2.gz DFUZMDGPCQYOHE-UHFFFAOYSA-N 2 2 349.544 3.194 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078197 1341717889 /nfs/dbraw/zinc/71/78/89/1341717889.db2.gz LRWBGGASTARVFV-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078197 1341717890 /nfs/dbraw/zinc/71/78/90/1341717890.db2.gz LRWBGGASTARVFV-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873142 1342052226 /nfs/dbraw/zinc/05/22/26/1342052226.db2.gz MZVNCPSVVQDEFQ-HOCLYGCPSA-N 2 2 328.460 3.145 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033873142 1342052227 /nfs/dbraw/zinc/05/22/27/1342052227.db2.gz MZVNCPSVVQDEFQ-HOCLYGCPSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269482 1342359859 /nfs/dbraw/zinc/35/98/59/1342359859.db2.gz FIEJSZNYCLPMES-INIZCTEOSA-N 2 2 326.444 3.113 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269482 1342359862 /nfs/dbraw/zinc/35/98/62/1342359862.db2.gz FIEJSZNYCLPMES-INIZCTEOSA-N 2 2 326.444 3.113 20 0 EGADLP 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SCXFHLJAYXKIJP-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](CCC2CCCC2)CC1 ZINC001045467145 1346600972 /nfs/dbraw/zinc/60/09/72/1346600972.db2.gz GKSYGSDRSSKEFP-IAGOWNOFSA-N 2 2 344.503 3.064 20 0 EGADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](CCC2CCCC2)CC1 ZINC001045467145 1346600976 /nfs/dbraw/zinc/60/09/76/1346600976.db2.gz GKSYGSDRSSKEFP-IAGOWNOFSA-N 2 2 344.503 3.064 20 0 EGADLP CC(C)C[NH+]1CCC(C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001045606471 1346644050 /nfs/dbraw/zinc/64/40/50/1346644050.db2.gz TTXNNTJXGQOWKF-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976457 1346812942 /nfs/dbraw/zinc/81/29/42/1346812942.db2.gz ZWOSRELCGJWKSF-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976457 1346812945 /nfs/dbraw/zinc/81/29/45/1346812945.db2.gz ZWOSRELCGJWKSF-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP 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NTFDNHNNRSDGMN-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072307049 1355231313 /nfs/dbraw/zinc/23/13/13/1355231313.db2.gz YMGIKIVUOBSJME-PBHICJAKSA-N 2 2 340.471 3.051 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001074042728 1356048888 /nfs/dbraw/zinc/04/88/88/1356048888.db2.gz BWIYXNPKWWQTKN-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001074042728 1356048892 /nfs/dbraw/zinc/04/88/92/1356048892.db2.gz BWIYXNPKWWQTKN-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C)c1ccccc1 ZINC001074629475 1356218755 /nfs/dbraw/zinc/21/87/55/1356218755.db2.gz ZTSIUURNZHMSJD-JQHSSLGASA-N 2 2 340.471 3.073 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323262428 1387319366 /nfs/dbraw/zinc/31/93/66/1387319366.db2.gz NNAKDTZHAJFOPJ-GDBMZVCRSA-N 2 2 328.460 3.049 20 0 EGADLP 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CCC(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885507 1368529391 /nfs/dbraw/zinc/52/93/91/1368529391.db2.gz RELSWSLOHOXLRM-KPFFTGBYSA-N 2 2 346.519 3.241 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885507 1368529393 /nfs/dbraw/zinc/52/93/93/1368529393.db2.gz RELSWSLOHOXLRM-KPFFTGBYSA-N 2 2 346.519 3.241 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242174 1368574769 /nfs/dbraw/zinc/57/47/69/1368574769.db2.gz FPNNOAUTHHARDS-QZTJIDSGSA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242174 1368574774 /nfs/dbraw/zinc/57/47/74/1368574774.db2.gz FPNNOAUTHHARDS-QZTJIDSGSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288055 1368584542 /nfs/dbraw/zinc/58/45/42/1368584542.db2.gz LZRVCIRNKGQOHM-MRXNPFEDSA-N 2 2 342.487 3.393 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288055 1368584546 /nfs/dbraw/zinc/58/45/46/1368584546.db2.gz LZRVCIRNKGQOHM-MRXNPFEDSA-N 2 2 342.487 3.393 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994617 1369127912 /nfs/dbraw/zinc/12/79/12/1369127912.db2.gz CQIVONODJWHDOP-RTBURBONSA-N 2 2 348.535 3.297 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001200346668 1369351661 /nfs/dbraw/zinc/35/16/61/1369351661.db2.gz QJMWHXIUHIKEOY-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001200346668 1369351667 /nfs/dbraw/zinc/35/16/67/1369351667.db2.gz QJMWHXIUHIKEOY-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+](Cc2cc(C)cc(C)c2)CC1)[NH+](CC)CC ZINC001113337233 1369357893 /nfs/dbraw/zinc/35/78/93/1369357893.db2.gz SDGZLLMVSHNIIX-HXUWFJFHSA-N 2 2 345.531 3.068 20 0 EGADLP C[NH+]1CCC2(C[NH+](C/C(Br)=C/c3ccccc3)C2)CC1 ZINC001201464257 1369550382 /nfs/dbraw/zinc/55/03/82/1369550382.db2.gz NDSDUNUZTSDZBS-WJDWOHSUSA-N 2 2 335.289 3.450 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CCCCCF)CC2)c(C)[nH+]1 ZINC001201712220 1369608654 /nfs/dbraw/zinc/60/86/54/1369608654.db2.gz MTOYLWIRIQPWTI-UHFFFAOYSA-N 2 2 335.467 3.341 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446891 1369774281 /nfs/dbraw/zinc/77/42/81/1369774281.db2.gz GNVSRCHJJSJMQG-DOTOQJQBSA-N 2 2 346.519 3.092 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857977 1369910167 /nfs/dbraw/zinc/91/01/67/1369910167.db2.gz YVYJWQVFRDGSFD-FDRQBBGKSA-N 2 2 344.503 3.106 20 0 EGADLP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078528 1369975182 /nfs/dbraw/zinc/97/51/82/1369975182.db2.gz MULFRDGFZNZZRQ-ROUUACIJSA-N 2 2 338.455 3.160 20 0 EGADLP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161136 1370005718 /nfs/dbraw/zinc/00/57/18/1370005718.db2.gz PEQKYZSOMCEUDD-SJORKVTESA-N 2 2 340.471 3.011 20 0 EGADLP CCc1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001203252414 1370042412 /nfs/dbraw/zinc/04/24/12/1370042412.db2.gz UVTHCRRHQJICAV-QGZVFWFLSA-N 2 2 327.428 3.404 20 0 EGADLP CCc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001203252414 1370042414 /nfs/dbraw/zinc/04/24/14/1370042414.db2.gz UVTHCRRHQJICAV-QGZVFWFLSA-N 2 2 327.428 3.404 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c(C)c1 ZINC001203743242 1370245692 /nfs/dbraw/zinc/24/56/92/1370245692.db2.gz OAYZWHMQEHMLAD-UHFFFAOYSA-N 2 2 336.439 3.403 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c(C)c1 ZINC001203743242 1370245698 /nfs/dbraw/zinc/24/56/98/1370245698.db2.gz OAYZWHMQEHMLAD-UHFFFAOYSA-N 2 2 336.439 3.403 20 0 EGADLP CC(C)[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC001204271337 1370427964 /nfs/dbraw/zinc/42/79/64/1370427964.db2.gz IZJWGWQGUXECKF-UHFFFAOYSA-N 3 2 347.547 3.322 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC001204271337 1370427966 /nfs/dbraw/zinc/42/79/66/1370427966.db2.gz IZJWGWQGUXECKF-UHFFFAOYSA-N 3 2 347.547 3.322 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204287883 1370432563 /nfs/dbraw/zinc/43/25/63/1370432563.db2.gz ADYRCHXVRQSXMP-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cn2cccc(Nc3cccc(CC[NH+]4CCOCC4)c3)c2[nH+]1 ZINC001204334459 1370446920 /nfs/dbraw/zinc/44/69/20/1370446920.db2.gz XKVVGONWIFXREK-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cn(C(C)=O)c4ccccc34)C[C@@H]2C1 ZINC001204412466 1370470165 /nfs/dbraw/zinc/47/01/65/1370470165.db2.gz NATBROLKXRKPCG-CALCHBBNSA-N 2 2 325.456 3.075 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cn(C(C)=O)c4ccccc34)C[C@@H]2C1 ZINC001204412466 1370470167 /nfs/dbraw/zinc/47/01/67/1370470167.db2.gz NATBROLKXRKPCG-CALCHBBNSA-N 2 2 325.456 3.075 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cn(C(C)=O)c4ccccc34)C[C@@H]2C1 ZINC001204412466 1370470168 /nfs/dbraw/zinc/47/01/68/1370470168.db2.gz NATBROLKXRKPCG-CALCHBBNSA-N 2 2 325.456 3.075 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cn(C(C)=O)c4ccccc34)C[C@@H]2C1 ZINC001204412466 1370470171 /nfs/dbraw/zinc/47/01/71/1370470171.db2.gz NATBROLKXRKPCG-CALCHBBNSA-N 2 2 325.456 3.075 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3cc(Br)ccc3F)C2)CC1 ZINC001204498169 1370492881 /nfs/dbraw/zinc/49/28/81/1370492881.db2.gz ASCPPLACKDFOPL-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001205015300 1370629063 /nfs/dbraw/zinc/62/90/63/1370629063.db2.gz AJYFUDACKGJVCH-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001205015300 1370629067 /nfs/dbraw/zinc/62/90/67/1370629067.db2.gz AJYFUDACKGJVCH-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205131431 1370659787 /nfs/dbraw/zinc/65/97/87/1370659787.db2.gz ZFVKXDMRUSAZNU-CQSZACIVSA-N 2 2 327.266 3.079 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205131431 1370659791 /nfs/dbraw/zinc/65/97/91/1370659791.db2.gz ZFVKXDMRUSAZNU-CQSZACIVSA-N 2 2 327.266 3.079 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205288875 1370708116 /nfs/dbraw/zinc/70/81/16/1370708116.db2.gz PFDCICBDXKWKCJ-MRXNPFEDSA-N 2 2 346.393 3.426 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205288875 1370708117 /nfs/dbraw/zinc/70/81/17/1370708117.db2.gz PFDCICBDXKWKCJ-MRXNPFEDSA-N 2 2 346.393 3.426 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@H]1C[NH3+] ZINC001205306565 1370715172 /nfs/dbraw/zinc/71/51/72/1370715172.db2.gz XREQJBKWKDDKTA-CHWSQXEVSA-N 2 2 342.940 3.204 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@H]1C[NH3+] ZINC001205306565 1370715174 /nfs/dbraw/zinc/71/51/74/1370715174.db2.gz XREQJBKWKDDKTA-CHWSQXEVSA-N 2 2 342.940 3.204 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205314874 1370718969 /nfs/dbraw/zinc/71/89/69/1370718969.db2.gz DFQDZVBCUJRJJM-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205314874 1370718973 /nfs/dbraw/zinc/71/89/73/1370718973.db2.gz DFQDZVBCUJRJJM-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2[nH]1 ZINC001205577118 1370797758 /nfs/dbraw/zinc/79/77/58/1370797758.db2.gz SBRYATRUGCYPPL-WOJBJXKFSA-N 2 2 332.451 3.127 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599192 1370805265 /nfs/dbraw/zinc/80/52/65/1370805265.db2.gz NKJZCMSVIVEATD-LJQANCHMSA-N 2 2 327.472 3.243 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599192 1370805277 /nfs/dbraw/zinc/80/52/77/1370805277.db2.gz NKJZCMSVIVEATD-LJQANCHMSA-N 2 2 327.472 3.243 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796987 1370874633 /nfs/dbraw/zinc/87/46/33/1370874633.db2.gz WTGWLMUXQQVYFU-QGZVFWFLSA-N 2 2 347.409 3.173 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796987 1370874637 /nfs/dbraw/zinc/87/46/37/1370874637.db2.gz WTGWLMUXQQVYFU-QGZVFWFLSA-N 2 2 347.409 3.173 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C[C@@H]1[NH3+] ZINC001205889144 1370901571 /nfs/dbraw/zinc/90/15/71/1370901571.db2.gz UWILHJLWEQVOON-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C[C@@H]1[NH3+] ZINC001205889144 1370901573 /nfs/dbraw/zinc/90/15/73/1370901573.db2.gz UWILHJLWEQVOON-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205914832 1370908853 /nfs/dbraw/zinc/90/88/53/1370908853.db2.gz OEXQGYZSIZHKEH-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205914832 1370908860 /nfs/dbraw/zinc/90/88/60/1370908860.db2.gz OEXQGYZSIZHKEH-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001205932514 1370916058 /nfs/dbraw/zinc/91/60/58/1370916058.db2.gz KZJQBFCTSRIEBC-WAOWUJCRSA-N 2 2 332.532 3.456 20 0 EGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001205932514 1370916062 /nfs/dbraw/zinc/91/60/62/1370916062.db2.gz KZJQBFCTSRIEBC-WAOWUJCRSA-N 2 2 332.532 3.456 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027301 1370942013 /nfs/dbraw/zinc/94/20/13/1370942013.db2.gz VUWJIZUTDMVLED-LSDHHAIUSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027301 1370942017 /nfs/dbraw/zinc/94/20/17/1370942017.db2.gz VUWJIZUTDMVLED-LSDHHAIUSA-N 3 2 332.879 3.333 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C)c1Br ZINC001206185195 1370984734 /nfs/dbraw/zinc/98/47/34/1370984734.db2.gz LLSLBZUQGMFIQX-ZIAGYGMSSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C)c1Br ZINC001206185195 1370984736 /nfs/dbraw/zinc/98/47/36/1370984736.db2.gz LLSLBZUQGMFIQX-ZIAGYGMSSA-N 2 2 329.257 3.327 20 0 EGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206201846 1370991781 /nfs/dbraw/zinc/99/17/81/1370991781.db2.gz ZHYBVSPFKPFRPJ-HUUCEWRRSA-N 2 2 329.257 3.273 20 0 EGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206201846 1370991783 /nfs/dbraw/zinc/99/17/83/1370991783.db2.gz ZHYBVSPFKPFRPJ-HUUCEWRRSA-N 2 2 329.257 3.273 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2c(F)cc(Br)cc2F)CC1 ZINC001206499857 1371073923 /nfs/dbraw/zinc/07/39/23/1371073923.db2.gz FPZWCRPFRGAHDQ-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)no2)cc1 ZINC001206550140 1371090962 /nfs/dbraw/zinc/09/09/62/1371090962.db2.gz WGHBQLTZSGQMTQ-LJQANCHMSA-N 2 2 329.444 3.301 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)no2)cc1 ZINC001206550140 1371090963 /nfs/dbraw/zinc/09/09/63/1371090963.db2.gz WGHBQLTZSGQMTQ-LJQANCHMSA-N 2 2 329.444 3.301 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001206554244 1371092235 /nfs/dbraw/zinc/09/22/35/1371092235.db2.gz CCAWSPPXWYPNAJ-MRXNPFEDSA-N 2 2 342.940 3.348 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001206554244 1371092239 /nfs/dbraw/zinc/09/22/39/1371092239.db2.gz CCAWSPPXWYPNAJ-MRXNPFEDSA-N 2 2 342.940 3.348 20 0 EGADLP Cc1c(F)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC001206624717 1371112826 /nfs/dbraw/zinc/11/28/26/1371112826.db2.gz YQJXWKCHTWURPC-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1c(F)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC001206624717 1371112833 /nfs/dbraw/zinc/11/28/33/1371112833.db2.gz YQJXWKCHTWURPC-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206771792 1371160448 /nfs/dbraw/zinc/16/04/48/1371160448.db2.gz XQXYYUMVPLSLFX-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206771792 1371160451 /nfs/dbraw/zinc/16/04/51/1371160451.db2.gz XQXYYUMVPLSLFX-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805708 1371174328 /nfs/dbraw/zinc/17/43/28/1371174328.db2.gz CQULUEORKJZDTB-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805708 1371174332 /nfs/dbraw/zinc/17/43/32/1371174332.db2.gz CQULUEORKJZDTB-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cs2)cc1 ZINC001206806713 1371174353 /nfs/dbraw/zinc/17/43/53/1371174353.db2.gz HFINFMLYHMJLHL-UONOGXRCSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cs2)cc1 ZINC001206806713 1371174354 /nfs/dbraw/zinc/17/43/54/1371174354.db2.gz HFINFMLYHMJLHL-UONOGXRCSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206806150 1371175004 /nfs/dbraw/zinc/17/50/04/1371175004.db2.gz FUFLUQHSSKAFOU-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206806150 1371175005 /nfs/dbraw/zinc/17/50/05/1371175005.db2.gz FUFLUQHSSKAFOU-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206811900 1371176647 /nfs/dbraw/zinc/17/66/47/1371176647.db2.gz WRTVXHZIPQHDRU-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206811900 1371176650 /nfs/dbraw/zinc/17/66/50/1371176650.db2.gz WRTVXHZIPQHDRU-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1ncsc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991837 1371261076 /nfs/dbraw/zinc/26/10/76/1371261076.db2.gz NYTVQXQJQUZTIH-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991837 1371261079 /nfs/dbraw/zinc/26/10/79/1371261079.db2.gz NYTVQXQJQUZTIH-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991837 1371261084 /nfs/dbraw/zinc/26/10/84/1371261084.db2.gz NYTVQXQJQUZTIH-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001206991837 1371261088 /nfs/dbraw/zinc/26/10/88/1371261088.db2.gz NYTVQXQJQUZTIH-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)n1 ZINC001207165696 1371317228 /nfs/dbraw/zinc/31/72/28/1371317228.db2.gz BJWOCOFUXWFOKH-UHFFFAOYSA-N 2 2 345.406 3.292 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](CCc3cccc(Br)c3)C[C@@H]2C1 ZINC001207511433 1371420275 /nfs/dbraw/zinc/42/02/75/1371420275.db2.gz QRFNXRKFTIAWRD-HOTGVXAUSA-N 2 2 337.305 3.265 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159318 1371613670 /nfs/dbraw/zinc/61/36/70/1371613670.db2.gz FDFDAMCIOWMLGV-FYZZASKESA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159318 1371613672 /nfs/dbraw/zinc/61/36/72/1371613672.db2.gz FDFDAMCIOWMLGV-FYZZASKESA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159318 1371613673 /nfs/dbraw/zinc/61/36/73/1371613673.db2.gz FDFDAMCIOWMLGV-FYZZASKESA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159318 1371613676 /nfs/dbraw/zinc/61/36/76/1371613676.db2.gz FDFDAMCIOWMLGV-FYZZASKESA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168335 1371615325 /nfs/dbraw/zinc/61/53/25/1371615325.db2.gz HJHRRBBPQSAWGG-ZWKOTPCHSA-N 2 2 328.504 3.287 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168335 1371615330 /nfs/dbraw/zinc/61/53/30/1371615330.db2.gz HJHRRBBPQSAWGG-ZWKOTPCHSA-N 2 2 328.504 3.287 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CCCC1 ZINC001208187637 1371625951 /nfs/dbraw/zinc/62/59/51/1371625951.db2.gz MNIYZHPRSZVETQ-SFHVURJKSA-N 2 2 329.488 3.212 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CCCC1 ZINC001208187637 1371625955 /nfs/dbraw/zinc/62/59/55/1371625955.db2.gz MNIYZHPRSZVETQ-SFHVURJKSA-N 2 2 329.488 3.212 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1Cl ZINC001120591252 1371628068 /nfs/dbraw/zinc/62/80/68/1371628068.db2.gz WFENXYDIZBGBIZ-IXDOHACOSA-N 2 2 326.843 3.119 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1Cl ZINC001120591252 1371628076 /nfs/dbraw/zinc/62/80/76/1371628076.db2.gz WFENXYDIZBGBIZ-IXDOHACOSA-N 2 2 326.843 3.119 20 0 EGADLP C[NH+](C)CC1(C[NH+]2CCN(c3nc4ccccc4o3)CC2)CCCC1 ZINC001208189930 1371629262 /nfs/dbraw/zinc/62/92/62/1371629262.db2.gz CDWRBGARZMZKGY-UHFFFAOYSA-N 2 2 342.487 3.072 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208550927 1371813504 /nfs/dbraw/zinc/81/35/04/1371813504.db2.gz FSIWIYQUAWYSOT-MRXNPFEDSA-N 2 2 328.460 3.109 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617972 1371843306 /nfs/dbraw/zinc/84/33/06/1371843306.db2.gz QTADEFLHNACPJU-WOIUINJBSA-N 2 2 341.543 3.486 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617972 1371843312 /nfs/dbraw/zinc/84/33/12/1371843312.db2.gz QTADEFLHNACPJU-WOIUINJBSA-N 2 2 341.543 3.486 20 0 EGADLP C[C@H](c1ccccc1)[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617972 1371843315 /nfs/dbraw/zinc/84/33/15/1371843315.db2.gz QTADEFLHNACPJU-WOIUINJBSA-N 2 2 341.543 3.486 20 0 EGADLP C[C@H](c1ccccc1)[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617972 1371843318 /nfs/dbraw/zinc/84/33/18/1371843318.db2.gz QTADEFLHNACPJU-WOIUINJBSA-N 2 2 341.543 3.486 20 0 EGADLP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208805229 1371901723 /nfs/dbraw/zinc/90/17/23/1371901723.db2.gz AWQCIFXSCXHBQS-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP COc1ccccc1CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001208841601 1371914393 /nfs/dbraw/zinc/91/43/93/1371914393.db2.gz IPFDYFPZMUINQV-SFHVURJKSA-N 2 2 326.440 3.485 20 0 EGADLP COc1ccccc1CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001208841601 1371914398 /nfs/dbraw/zinc/91/43/98/1371914398.db2.gz IPFDYFPZMUINQV-SFHVURJKSA-N 2 2 326.440 3.485 20 0 EGADLP CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121271763 1371917068 /nfs/dbraw/zinc/91/70/68/1371917068.db2.gz OSYUNWNWEKUHHM-QAELIBMJSA-N 2 2 346.519 3.143 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001209141516 1372012590 /nfs/dbraw/zinc/01/25/90/1372012590.db2.gz SMYIOXYPMWLIQJ-MRXNPFEDSA-N 2 2 349.475 3.100 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001209141516 1372012594 /nfs/dbraw/zinc/01/25/94/1372012594.db2.gz SMYIOXYPMWLIQJ-MRXNPFEDSA-N 2 2 349.475 3.100 20 0 EGADLP CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209358335 1372076913 /nfs/dbraw/zinc/07/69/13/1372076913.db2.gz XNHULQHUVWRKCV-UHFFFAOYSA-N 2 2 341.540 3.488 20 0 EGADLP CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209358335 1372076919 /nfs/dbraw/zinc/07/69/19/1372076919.db2.gz XNHULQHUVWRKCV-UHFFFAOYSA-N 2 2 341.540 3.488 20 0 EGADLP c1nc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCCC2 ZINC001209503061 1372122283 /nfs/dbraw/zinc/12/22/83/1372122283.db2.gz RJKLYVDAPCUMCS-IBGZPJMESA-N 2 2 329.488 3.247 20 0 EGADLP c1nc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c1OCCC2 ZINC001209503061 1372122285 /nfs/dbraw/zinc/12/22/85/1372122285.db2.gz RJKLYVDAPCUMCS-IBGZPJMESA-N 2 2 329.488 3.247 20 0 EGADLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(F)c1O ZINC001209537357 1372131405 /nfs/dbraw/zinc/13/14/05/1372131405.db2.gz JFZGFWOEAGNVOC-UHFFFAOYSA-N 2 2 336.451 3.379 20 0 EGADLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(F)c1O ZINC001209537357 1372131409 /nfs/dbraw/zinc/13/14/09/1372131409.db2.gz JFZGFWOEAGNVOC-UHFFFAOYSA-N 2 2 336.451 3.379 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001209866246 1372217644 /nfs/dbraw/zinc/21/76/44/1372217644.db2.gz QCXZKHKLBCSDER-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP Cc1ccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)cc1C ZINC001214671442 1373099955 /nfs/dbraw/zinc/09/99/55/1373099955.db2.gz BLTQNJGHAOGBOA-UHFFFAOYSA-N 2 2 349.438 3.167 20 0 EGADLP Cc1cccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)c1C ZINC001214674025 1373100533 /nfs/dbraw/zinc/10/05/33/1373100533.db2.gz MWMGPRXWFPSHNI-UHFFFAOYSA-N 2 2 349.438 3.167 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001214966744 1373149282 /nfs/dbraw/zinc/14/92/82/1373149282.db2.gz AFFLFIAAIUYCCZ-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP C[NH+](C)Cc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1F ZINC001216231263 1373286173 /nfs/dbraw/zinc/28/61/73/1373286173.db2.gz VMCMHXSBVNFHTC-UHFFFAOYSA-N 2 2 343.446 3.463 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)c[nH+]1 ZINC001217295336 1373419654 /nfs/dbraw/zinc/41/96/54/1373419654.db2.gz WRSAOWSYJZODTE-UHFFFAOYSA-N 2 2 349.419 3.297 20 0 EGADLP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001218787188 1373654600 /nfs/dbraw/zinc/65/46/00/1373654600.db2.gz BFDLYXPTGOOZCM-QGZVFWFLSA-N 2 2 336.439 3.140 20 0 EGADLP CC(C)c1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001219266569 1373697555 /nfs/dbraw/zinc/69/75/55/1373697555.db2.gz NQMGGHNUQUCYLR-UHFFFAOYSA-N 2 2 343.393 3.109 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225652671 1375139108 /nfs/dbraw/zinc/13/91/08/1375139108.db2.gz IXZVMPCSCGHJPY-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090336 1375140338 /nfs/dbraw/zinc/14/03/38/1375140338.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132090336 1375140339 /nfs/dbraw/zinc/14/03/39/1375140339.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090336 1375140340 /nfs/dbraw/zinc/14/03/40/1375140340.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090336 1375140341 /nfs/dbraw/zinc/14/03/41/1375140341.db2.gz GNCVXDJGRAOBCF-WBVHZDCISA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001132782614 1375561191 /nfs/dbraw/zinc/56/11/91/1375561191.db2.gz POYZNDIYZLIKIT-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP O=c1[nH]c2ccccc2c(Cl)c1C[NH+]1CCC2(CCC[NH2+]2)CC1 ZINC001228554836 1375596698 /nfs/dbraw/zinc/59/66/98/1375596698.db2.gz ADTSUYIFPCVIHX-UHFFFAOYSA-N 2 2 331.847 3.312 20 0 EGADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001133021959 1375717348 /nfs/dbraw/zinc/71/73/48/1375717348.db2.gz XDACEIHTHCAADZ-ROUUACIJSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001229045997 1375750871 /nfs/dbraw/zinc/75/08/71/1375750871.db2.gz GUPNPUXBCQAQDR-KFKAGJAMSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001229045997 1375750873 /nfs/dbraw/zinc/75/08/73/1375750873.db2.gz GUPNPUXBCQAQDR-KFKAGJAMSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133272497 1375888145 /nfs/dbraw/zinc/88/81/45/1375888145.db2.gz ZPIVYBYCOSBRFC-DOTOQJQBSA-N 2 2 348.535 3.161 20 0 EGADLP C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001133363862 1375945199 /nfs/dbraw/zinc/94/51/99/1375945199.db2.gz OQZUMQVRFSLJHO-ROUUACIJSA-N 2 2 348.535 3.174 20 0 EGADLP c1c(C[NH+]2CCN(c3nsc4ccccc43)CC2)[nH]c2cc[nH+]cc12 ZINC001232012826 1376382735 /nfs/dbraw/zinc/38/27/35/1376382735.db2.gz SZFGOJZYBCDRAH-UHFFFAOYSA-N 2 2 349.463 3.495 20 0 EGADLP c1nc(-c2cccnc2)oc1C[N@@H+]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001232137205 1376406350 /nfs/dbraw/zinc/40/63/50/1376406350.db2.gz HLQOATSINIELEU-QGZVFWFLSA-N 2 2 336.395 3.175 20 0 EGADLP c1nc(-c2cccnc2)oc1C[N@H+]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001232137205 1376406354 /nfs/dbraw/zinc/40/63/54/1376406354.db2.gz HLQOATSINIELEU-QGZVFWFLSA-N 2 2 336.395 3.175 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227435 1376424005 /nfs/dbraw/zinc/42/40/05/1376424005.db2.gz HCZRZMWRENYSPM-HZPDHXFCSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134230384 1376424833 /nfs/dbraw/zinc/42/48/33/1376424833.db2.gz XJCBMUXHOSAVJJ-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(O)c3ncccc23)C1 ZINC001232281070 1376432139 /nfs/dbraw/zinc/43/21/39/1376432139.db2.gz DZFDUVUVOFNSPZ-INIZCTEOSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(O)c3ncccc23)C1 ZINC001232281070 1376432142 /nfs/dbraw/zinc/43/21/42/1376432142.db2.gz DZFDUVUVOFNSPZ-INIZCTEOSA-N 2 2 335.407 3.297 20 0 EGADLP COc1cc(C)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001232349728 1376446476 /nfs/dbraw/zinc/44/64/76/1376446476.db2.gz HMBOJTJTPGMLTI-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP COc1cc(C)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001232349728 1376446477 /nfs/dbraw/zinc/44/64/77/1376446477.db2.gz HMBOJTJTPGMLTI-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP COc1cc(C)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001232349728 1376446482 /nfs/dbraw/zinc/44/64/82/1376446482.db2.gz HMBOJTJTPGMLTI-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP COc1cc(C)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001232349728 1376446485 /nfs/dbraw/zinc/44/64/85/1376446485.db2.gz HMBOJTJTPGMLTI-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc(F)ccc4N)C[C@H]3C2)cc1 ZINC001232508627 1376471406 /nfs/dbraw/zinc/47/14/06/1376471406.db2.gz OPUHCEYIXJBRSS-RTBURBONSA-N 2 2 339.458 3.280 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)C)ccn12 ZINC001134369384 1376497432 /nfs/dbraw/zinc/49/74/32/1376497432.db2.gz KQHZRHURRQYNLG-HUUCEWRRSA-N 2 2 330.476 3.175 20 0 EGADLP Cc1cc(O)cc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001232882129 1376530221 /nfs/dbraw/zinc/53/02/21/1376530221.db2.gz VULSBLAQDOCHOR-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1cc(O)cc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001232882129 1376530227 /nfs/dbraw/zinc/53/02/27/1376530227.db2.gz VULSBLAQDOCHOR-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1cc(O)cc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001232882129 1376530232 /nfs/dbraw/zinc/53/02/32/1376530232.db2.gz VULSBLAQDOCHOR-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1cc(O)cc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001232882129 1376530237 /nfs/dbraw/zinc/53/02/37/1376530237.db2.gz VULSBLAQDOCHOR-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP C[C@H](CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)n1cc[nH+]c1 ZINC001134517695 1376574544 /nfs/dbraw/zinc/57/45/44/1376574544.db2.gz PFROYJZWLJTPDS-WWDZGPRUSA-N 2 2 348.535 3.393 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001134517378 1376574639 /nfs/dbraw/zinc/57/46/39/1376574639.db2.gz FGEOKERFSUXRBH-RHSMWYFYSA-N 2 2 348.878 3.345 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)cc1 ZINC001134544174 1376584057 /nfs/dbraw/zinc/58/40/57/1376584057.db2.gz DHGCIHZYKHZWEV-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)cc1 ZINC001134544174 1376584062 /nfs/dbraw/zinc/58/40/62/1376584062.db2.gz DHGCIHZYKHZWEV-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544103 1376584141 /nfs/dbraw/zinc/58/41/41/1376584141.db2.gz CPGBNUJHQVHKBZ-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544103 1376584144 /nfs/dbraw/zinc/58/41/44/1376584144.db2.gz CPGBNUJHQVHKBZ-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)s1 ZINC001134548507 1376585832 /nfs/dbraw/zinc/58/58/32/1376585832.db2.gz HCHAALVQRHMMMF-QWHCGFSZSA-N 2 2 348.516 3.094 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)s1 ZINC001134548507 1376585834 /nfs/dbraw/zinc/58/58/34/1376585834.db2.gz HCHAALVQRHMMMF-QWHCGFSZSA-N 2 2 348.516 3.094 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)ncc2Cl)CC1 ZINC001233427502 1376644554 /nfs/dbraw/zinc/64/45/54/1376644554.db2.gz YPMCWTVYLZBIRS-UHFFFAOYSA-N 2 2 346.700 3.271 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001134732869 1376684363 /nfs/dbraw/zinc/68/43/63/1376684363.db2.gz PKCJWUYAKLZCLQ-HOTGVXAUSA-N 2 2 347.503 3.086 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001134733381 1376685263 /nfs/dbraw/zinc/68/52/63/1376685263.db2.gz YYWACQQHVRZZKK-HOTGVXAUSA-N 2 2 347.503 3.086 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964075 1376814534 /nfs/dbraw/zinc/81/45/34/1376814534.db2.gz DYLIHTKNPPWMAC-HOTGVXAUSA-N 2 2 330.476 3.401 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1=CCCCC1 ZINC001134971724 1376819622 /nfs/dbraw/zinc/81/96/22/1376819622.db2.gz ZBTFUIMOZPWUCE-CVEARBPZSA-N 2 2 340.471 3.321 20 0 EGADLP Fc1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026759 1376830249 /nfs/dbraw/zinc/83/02/49/1376830249.db2.gz QURIQYKOGZZIKL-FXAWDEMLSA-N 2 2 326.415 3.198 20 0 EGADLP Fc1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235026759 1376830255 /nfs/dbraw/zinc/83/02/55/1376830255.db2.gz QURIQYKOGZZIKL-FXAWDEMLSA-N 2 2 326.415 3.198 20 0 EGADLP Cc1ccc(Cl)c(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c1Cl ZINC001235704101 1376885348 /nfs/dbraw/zinc/88/53/48/1376885348.db2.gz YGYKMYQXZQWEPM-UHFFFAOYSA-N 2 2 342.314 3.171 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182934 1376940316 /nfs/dbraw/zinc/94/03/16/1376940316.db2.gz AVPXNEDUJCICCL-GGAORHGYSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182934 1376940321 /nfs/dbraw/zinc/94/03/21/1376940321.db2.gz AVPXNEDUJCICCL-GGAORHGYSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182934 1376940324 /nfs/dbraw/zinc/94/03/24/1376940324.db2.gz AVPXNEDUJCICCL-GGAORHGYSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccc5c(c4)C[NH2+]C5)C[C@H]3C2)cc1 ZINC001236182934 1376940329 /nfs/dbraw/zinc/94/03/29/1376940329.db2.gz AVPXNEDUJCICCL-GGAORHGYSA-N 3 2 347.506 3.244 20 0 EGADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381958 1377051698 /nfs/dbraw/zinc/05/16/98/1377051698.db2.gz VKKIICDUKHEOQF-PKOBYXMFSA-N 3 2 347.522 3.247 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(F)c4cc[nH]c43)CC2)nc(C)[nH+]1 ZINC001248817333 1377070443 /nfs/dbraw/zinc/07/04/43/1377070443.db2.gz RDVFIBZTNZRKDQ-UHFFFAOYSA-N 2 2 339.418 3.036 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135798121 1377213498 /nfs/dbraw/zinc/21/34/98/1377213498.db2.gz BFGDXCINGKWNJY-HZPDHXFCSA-N 2 2 342.487 3.149 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023253 1377459980 /nfs/dbraw/zinc/45/99/80/1377459980.db2.gz ICRPCMLSVDTTHS-NRFANRHFSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023253 1377459982 /nfs/dbraw/zinc/45/99/82/1377459982.db2.gz ICRPCMLSVDTTHS-NRFANRHFSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023253 1377459984 /nfs/dbraw/zinc/45/99/84/1377459984.db2.gz ICRPCMLSVDTTHS-NRFANRHFSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023253 1377459985 /nfs/dbraw/zinc/45/99/85/1377459985.db2.gz ICRPCMLSVDTTHS-NRFANRHFSA-N 2 2 344.499 3.040 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)nc(C)[nH+]1 ZINC001137056509 1377469073 /nfs/dbraw/zinc/46/90/73/1377469073.db2.gz WNCRBVHLQBWRAM-UHFFFAOYSA-N 2 2 339.418 3.036 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)CC1 ZINC001137059639 1377470698 /nfs/dbraw/zinc/47/06/98/1377470698.db2.gz BCDTWTUDIGROEI-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)cc2OC)CC1 ZINC001137456243 1377550385 /nfs/dbraw/zinc/55/03/85/1377550385.db2.gz YCCPDBRSDBAKCO-UHFFFAOYSA-N 2 2 348.487 3.178 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)cc2OC)CC1 ZINC001137456243 1377550387 /nfs/dbraw/zinc/55/03/87/1377550387.db2.gz YCCPDBRSDBAKCO-UHFFFAOYSA-N 2 2 348.487 3.178 20 0 EGADLP Oc1cc(O)cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332721 1377703522 /nfs/dbraw/zinc/70/35/22/1377703522.db2.gz HRLUSMPAKWWCOD-RBUKOAKNSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332721 1377703527 /nfs/dbraw/zinc/70/35/27/1377703527.db2.gz HRLUSMPAKWWCOD-RBUKOAKNSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332721 1377703530 /nfs/dbraw/zinc/70/35/30/1377703530.db2.gz HRLUSMPAKWWCOD-RBUKOAKNSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332721 1377703532 /nfs/dbraw/zinc/70/35/32/1377703532.db2.gz HRLUSMPAKWWCOD-RBUKOAKNSA-N 2 2 338.451 3.052 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550006 1377740366 /nfs/dbraw/zinc/74/03/66/1377740366.db2.gz HHXAUMNDLCHYTG-KSSFIOAISA-N 2 2 329.444 3.200 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138550006 1377740368 /nfs/dbraw/zinc/74/03/68/1377740368.db2.gz HHXAUMNDLCHYTG-KSSFIOAISA-N 2 2 329.444 3.200 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001138577369 1377746658 /nfs/dbraw/zinc/74/66/58/1377746658.db2.gz ZQKMIQGMNDWDJE-IYBDPMFKSA-N 2 2 344.528 3.333 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001138577369 1377746660 /nfs/dbraw/zinc/74/66/60/1377746660.db2.gz ZQKMIQGMNDWDJE-IYBDPMFKSA-N 2 2 344.528 3.333 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001138577369 1377746663 /nfs/dbraw/zinc/74/66/63/1377746663.db2.gz ZQKMIQGMNDWDJE-IYBDPMFKSA-N 2 2 344.528 3.333 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001138577369 1377746664 /nfs/dbraw/zinc/74/66/64/1377746664.db2.gz ZQKMIQGMNDWDJE-IYBDPMFKSA-N 2 2 344.528 3.333 20 0 EGADLP Clc1[nH]c2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001138688410 1377767737 /nfs/dbraw/zinc/76/77/37/1377767737.db2.gz CPBSBWXBJYHIAI-UHFFFAOYSA-N 2 2 346.906 3.035 20 0 EGADLP CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363433 1377874758 /nfs/dbraw/zinc/87/47/58/1377874758.db2.gz CLNHGYUXKBZMBB-QGZVFWFLSA-N 2 2 327.428 3.038 20 0 EGADLP CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363433 1377874759 /nfs/dbraw/zinc/87/47/59/1377874759.db2.gz CLNHGYUXKBZMBB-QGZVFWFLSA-N 2 2 327.428 3.038 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001139400627 1377879036 /nfs/dbraw/zinc/87/90/36/1377879036.db2.gz AFZSPQCWWIOKDI-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP C[N@H+](Cc1ccsc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763655 1377947412 /nfs/dbraw/zinc/94/74/12/1377947412.db2.gz RCMLOCJMKSOPKD-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP C[N@@H+](Cc1ccsc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763655 1377947414 /nfs/dbraw/zinc/94/74/14/1377947414.db2.gz RCMLOCJMKSOPKD-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP Cn1ncc2ccc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC001139911774 1377976501 /nfs/dbraw/zinc/97/65/01/1377976501.db2.gz ZGLNVBLNUHZGPZ-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1ncc2ccc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC001139911774 1377976502 /nfs/dbraw/zinc/97/65/02/1377976502.db2.gz ZGLNVBLNUHZGPZ-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965871 1377984721 /nfs/dbraw/zinc/98/47/21/1377984721.db2.gz CXRPMIWQRVXHDG-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965871 1377984726 /nfs/dbraw/zinc/98/47/26/1377984726.db2.gz CXRPMIWQRVXHDG-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965871 1377984728 /nfs/dbraw/zinc/98/47/28/1377984728.db2.gz CXRPMIWQRVXHDG-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965871 1377984731 /nfs/dbraw/zinc/98/47/31/1377984731.db2.gz CXRPMIWQRVXHDG-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001140026963 1377991656 /nfs/dbraw/zinc/99/16/56/1377991656.db2.gz ROMUVOATGOSBAH-UHFFFAOYSA-N 2 2 348.450 3.209 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001140027456 1377992426 /nfs/dbraw/zinc/99/24/26/1377992426.db2.gz AKFWUEPYVBCTIN-KRWDZBQOSA-N 2 2 341.455 3.344 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001140027456 1377992431 /nfs/dbraw/zinc/99/24/31/1377992431.db2.gz AKFWUEPYVBCTIN-KRWDZBQOSA-N 2 2 341.455 3.344 20 0 EGADLP CC[N@H+](Cc1cnc(-c2ccccc2F)nc1)C1CC[NH+](C)CC1 ZINC001140399116 1378057068 /nfs/dbraw/zinc/05/70/68/1378057068.db2.gz QOAJYANIWFZKPO-UHFFFAOYSA-N 2 2 328.435 3.199 20 0 EGADLP CC[N@@H+](Cc1cnc(-c2ccccc2F)nc1)C1CC[NH+](C)CC1 ZINC001140399116 1378057069 /nfs/dbraw/zinc/05/70/69/1378057069.db2.gz QOAJYANIWFZKPO-UHFFFAOYSA-N 2 2 328.435 3.199 20 0 EGADLP CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111431 1378116791 /nfs/dbraw/zinc/11/67/91/1378116791.db2.gz ZCMCPZIVGKNAGJ-UZLBHIALSA-N 2 2 340.471 3.090 20 0 EGADLP CC[C@@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111431 1378116793 /nfs/dbraw/zinc/11/67/93/1378116793.db2.gz ZCMCPZIVGKNAGJ-UZLBHIALSA-N 2 2 340.471 3.090 20 0 EGADLP C[C@](O)(C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1)C(F)(F)F ZINC001140804973 1378144687 /nfs/dbraw/zinc/14/46/87/1378144687.db2.gz MIJYDVWCHKBSIH-HNNXBMFYSA-N 2 2 327.350 3.088 20 0 EGADLP c1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866989 1378160161 /nfs/dbraw/zinc/16/01/61/1378160161.db2.gz WHBWKFIYOLTTBO-GOSISDBHSA-N 2 2 330.501 3.349 20 0 EGADLP c1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866989 1378160162 /nfs/dbraw/zinc/16/01/62/1378160162.db2.gz WHBWKFIYOLTTBO-GOSISDBHSA-N 2 2 330.501 3.349 20 0 EGADLP c1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866989 1378160165 /nfs/dbraw/zinc/16/01/65/1378160165.db2.gz WHBWKFIYOLTTBO-GOSISDBHSA-N 2 2 330.501 3.349 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866989 1378160169 /nfs/dbraw/zinc/16/01/69/1378160169.db2.gz WHBWKFIYOLTTBO-GOSISDBHSA-N 2 2 330.501 3.349 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4c(N)cccc4F)C[C@H]3C2)cc1 ZINC001140874073 1378165386 /nfs/dbraw/zinc/16/53/86/1378165386.db2.gz YFZQLGDPQWHJFT-QZTJIDSGSA-N 2 2 339.458 3.280 20 0 EGADLP c1cn2ccc(CN3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001141048206 1378219708 /nfs/dbraw/zinc/21/97/08/1378219708.db2.gz HADHUVXEGIYZQN-RTWAWAEBSA-N 2 2 346.478 3.431 20 0 EGADLP c1cn2ccc(CN3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001141048206 1378219712 /nfs/dbraw/zinc/21/97/12/1378219712.db2.gz HADHUVXEGIYZQN-RTWAWAEBSA-N 2 2 346.478 3.431 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142980663 1378521182 /nfs/dbraw/zinc/52/11/82/1378521182.db2.gz JBMBOMBNVQEUCX-HOTGVXAUSA-N 2 2 342.874 3.181 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001282678046 1378549363 /nfs/dbraw/zinc/54/93/63/1378549363.db2.gz MVVKZYKQNSSWPE-IBGZPJMESA-N 2 2 348.535 3.150 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001282678046 1378549367 /nfs/dbraw/zinc/54/93/67/1378549367.db2.gz MVVKZYKQNSSWPE-IBGZPJMESA-N 2 2 348.535 3.150 20 0 EGADLP c1c2cccnc2[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001143222829 1378564183 /nfs/dbraw/zinc/56/41/83/1378564183.db2.gz DOYVZJSZIGMGGN-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)c1 ZINC001144451191 1378733638 /nfs/dbraw/zinc/73/36/38/1378733638.db2.gz PALLMWQWAWGSHS-UHFFFAOYSA-N 2 2 348.462 3.451 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)c1 ZINC001144451191 1378733642 /nfs/dbraw/zinc/73/36/42/1378733642.db2.gz PALLMWQWAWGSHS-UHFFFAOYSA-N 2 2 348.462 3.451 20 0 EGADLP Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706435 1378903283 /nfs/dbraw/zinc/90/32/83/1378903283.db2.gz FABPCXXCGFUECT-ZWKOTPCHSA-N 2 2 342.487 3.045 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001146772120 1378914966 /nfs/dbraw/zinc/91/49/66/1378914966.db2.gz QWJMYRFEUHLINR-DLBZAZTESA-N 2 2 334.508 3.117 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066642 1380196828 /nfs/dbraw/zinc/19/68/28/1380196828.db2.gz SXNFSPKCZLHZBU-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066642 1380196829 /nfs/dbraw/zinc/19/68/29/1380196829.db2.gz SXNFSPKCZLHZBU-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001155030707 1380395060 /nfs/dbraw/zinc/39/50/60/1380395060.db2.gz QSIRXHYPXJXKBH-VXGBXAGGSA-N 2 2 327.407 3.298 20 0 EGADLP Clc1cccc(-c2cccc(-n3c[nH+]cc3C3CC[NH2+]CC3)n2)n1 ZINC001155058288 1380400212 /nfs/dbraw/zinc/40/02/12/1380400212.db2.gz USTINYCZWWQDBM-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP Cc1nc2c3ccccc3oc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057398 1380400294 /nfs/dbraw/zinc/40/02/94/1380400294.db2.gz GQPDMWAQZWLLAP-UHFFFAOYSA-N 2 2 333.395 3.337 20 0 EGADLP Cc1cccc2nc(Cl)nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155064162 1380401489 /nfs/dbraw/zinc/40/14/89/1380401489.db2.gz NARFBIOOBDJTKD-UHFFFAOYSA-N 2 2 327.819 3.244 20 0 EGADLP Cc1nc(C2CCCCC2)cc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155064962 1380401639 /nfs/dbraw/zinc/40/16/39/1380401639.db2.gz YYIVXKLGQQPNSJ-UHFFFAOYSA-N 2 2 325.460 3.485 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC[C@@]2(F)CCCC[NH2+]C2)c1)C1CC1 ZINC001155119956 1380412434 /nfs/dbraw/zinc/41/24/34/1380412434.db2.gz UAUDIXNYMQXGTK-QFBILLFUSA-N 2 2 349.450 3.032 20 0 EGADLP C[C@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001157438944 1380894772 /nfs/dbraw/zinc/89/47/72/1380894772.db2.gz QKLIZPDKYKZZEL-BZUAXINKSA-N 2 2 330.476 3.272 20 0 EGADLP CCC/C=C\CC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158062001 1381116716 /nfs/dbraw/zinc/11/67/16/1381116716.db2.gz NIZDJBFLXNYTIR-WAYWQWQTSA-N 2 2 328.460 3.099 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090315 1381125031 /nfs/dbraw/zinc/12/50/31/1381125031.db2.gz UYUJQFDLFGDEPF-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090315 1381125043 /nfs/dbraw/zinc/12/50/43/1381125043.db2.gz UYUJQFDLFGDEPF-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090315 1381125055 /nfs/dbraw/zinc/12/50/55/1381125055.db2.gz UYUJQFDLFGDEPF-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090315 1381125063 /nfs/dbraw/zinc/12/50/63/1381125063.db2.gz UYUJQFDLFGDEPF-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128923 1381136181 /nfs/dbraw/zinc/13/61/81/1381136181.db2.gz SXFWQVMYJFHJRC-HZPDHXFCSA-N 2 2 346.450 3.238 20 0 EGADLP CC[C@@H](F)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128923 1381136186 /nfs/dbraw/zinc/13/61/86/1381136186.db2.gz SXFWQVMYJFHJRC-HZPDHXFCSA-N 2 2 346.450 3.238 20 0 EGADLP CCOC(=O)c1c(Nc2ccc(C)[nH+]c2C)sc2c1CC[NH2+]C2 ZINC001159208290 1381730325 /nfs/dbraw/zinc/73/03/25/1381730325.db2.gz HPRSAKRJOUYJCR-UHFFFAOYSA-N 2 2 331.441 3.326 20 0 EGADLP CCCCN(Cc1ccccc1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160427594 1382100949 /nfs/dbraw/zinc/10/09/49/1382100949.db2.gz ATMUTLUZBZGTBC-IBGZPJMESA-N 2 2 325.456 3.088 20 0 EGADLP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160492102 1382121996 /nfs/dbraw/zinc/12/19/96/1382121996.db2.gz MLCJHMCGAYARBF-INIZCTEOSA-N 2 2 346.519 3.111 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160492102 1382122000 /nfs/dbraw/zinc/12/20/00/1382122000.db2.gz MLCJHMCGAYARBF-INIZCTEOSA-N 2 2 346.519 3.111 20 0 EGADLP CCC/C=C/CC[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528189 1382132199 /nfs/dbraw/zinc/13/21/99/1382132199.db2.gz KHLUBUSMRHBEGK-DKFQHHCZSA-N 2 2 334.508 3.313 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1NCC1CC[NH+](CC2CCC2)CC1 ZINC001161233325 1382350701 /nfs/dbraw/zinc/35/07/01/1382350701.db2.gz OPQCSANVGPEXLX-UHFFFAOYSA-N 2 2 345.487 3.409 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434584 1382409696 /nfs/dbraw/zinc/40/96/96/1382409696.db2.gz ULNFGHDIGPUPIA-LAQIPUCWSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434584 1382409699 /nfs/dbraw/zinc/40/96/99/1382409699.db2.gz ULNFGHDIGPUPIA-LAQIPUCWSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434584 1382409701 /nfs/dbraw/zinc/40/97/01/1382409701.db2.gz ULNFGHDIGPUPIA-LAQIPUCWSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434584 1382409705 /nfs/dbraw/zinc/40/97/05/1382409705.db2.gz ULNFGHDIGPUPIA-LAQIPUCWSA-N 2 2 344.503 3.083 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001162909976 1382912999 /nfs/dbraw/zinc/91/29/99/1382912999.db2.gz FKGXPRNRJXIUDU-LJQANCHMSA-N 2 2 337.467 3.404 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2cc(F)ccc2C)c(C)[nH+]1 ZINC001162910732 1382913265 /nfs/dbraw/zinc/91/32/65/1382913265.db2.gz VUDPDIJPWDJOCM-UHFFFAOYSA-N 2 2 343.446 3.364 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(F)c(F)c2)c(C)[nH+]1 ZINC001162910303 1382913427 /nfs/dbraw/zinc/91/34/27/1382913427.db2.gz KBXMHSSOUHNAGP-UHFFFAOYSA-N 2 2 347.409 3.195 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C/C=C\c2ccccc2)c(C)[nH+]1 ZINC001162910377 1382913505 /nfs/dbraw/zinc/91/35/05/1382913505.db2.gz MWMPPWLWCKDIAP-XFFZJAGNSA-N 2 2 337.467 3.430 20 0 EGADLP CCCC(C[NH3+])(CCC)Nc1cc2[nH]cc(C(=O)OCC)c2c[nH+]1 ZINC001163039978 1382953341 /nfs/dbraw/zinc/95/33/41/1382953341.db2.gz CMKZHDAAYPZZGP-UHFFFAOYSA-N 2 2 332.448 3.449 20 0 EGADLP c1ccc(-c2[nH]c3ccc(NCC[C@@H]4CCOC45C[NH2+]C5)cc3[nH+]2)cc1 ZINC001163096900 1382963559 /nfs/dbraw/zinc/96/35/59/1382963559.db2.gz ZPCBFTQEUOATCX-MRXNPFEDSA-N 2 2 348.450 3.410 20 0 EGADLP Cc1nc(N2CCC(COCC[NH+]3CCCC3)CC2)cc(C(C)C)[nH+]1 ZINC001163879855 1383132190 /nfs/dbraw/zinc/13/21/90/1383132190.db2.gz NRQNIQCQYXYSBA-UHFFFAOYSA-N 2 2 346.519 3.237 20 0 EGADLP Cc1nc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c2c([nH+]1)CCC2 ZINC001165154085 1383238068 /nfs/dbraw/zinc/23/80/68/1383238068.db2.gz KPVOEUBNNALQHI-UHFFFAOYSA-N 2 2 348.494 3.301 20 0 EGADLP Cc1nc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)c2c([nH+]1)CCC2 ZINC001165154085 1383238071 /nfs/dbraw/zinc/23/80/71/1383238071.db2.gz KPVOEUBNNALQHI-UHFFFAOYSA-N 2 2 348.494 3.301 20 0 EGADLP COc1ccccc1[C@H](C)N(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165158820 1383239131 /nfs/dbraw/zinc/23/91/31/1383239131.db2.gz UYCMVHSPCKEBOK-INIZCTEOSA-N 2 2 340.471 3.039 20 0 EGADLP COc1ccccc1[C@@H](C)N(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165158821 1383239141 /nfs/dbraw/zinc/23/91/41/1383239141.db2.gz UYCMVHSPCKEBOK-MRXNPFEDSA-N 2 2 340.471 3.039 20 0 EGADLP O=C(NCCC[NH2+]CCC1CCCCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166408732 1383419088 /nfs/dbraw/zinc/41/90/88/1383419088.db2.gz YQKKCPMULKEVNF-KRWDZBQOSA-N 2 2 346.519 3.286 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001167532575 1383659496 /nfs/dbraw/zinc/65/94/96/1383659496.db2.gz UJBAVJAGQBXIJP-DLBZAZTESA-N 2 2 346.519 3.045 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC001167752082 1383730717 /nfs/dbraw/zinc/73/07/17/1383730717.db2.gz RGSXSKVHBNMBMV-OAHLLOKOSA-N 2 2 333.476 3.172 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(NCCC[N@H+]2CCCC[C@H]2C)c1C ZINC001167752082 1383730719 /nfs/dbraw/zinc/73/07/19/1383730719.db2.gz RGSXSKVHBNMBMV-OAHLLOKOSA-N 2 2 333.476 3.172 20 0 EGADLP CCOc1cc(F)c(Br)cc1NC(=[NH2+])SCC[NH3+] ZINC001167915787 1383769503 /nfs/dbraw/zinc/76/95/03/1383769503.db2.gz KLCIKYXZVNRFKK-UHFFFAOYSA-N 2 2 336.230 3.025 20 0 EGADLP C[C@@H]1CC(N[C@H]2C[NH+]3CCC2CC3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008631 1383795713 /nfs/dbraw/zinc/79/57/13/1383795713.db2.gz FPVLWPCNMWSHBG-LZJOCLMNSA-N 2 2 327.516 3.112 20 0 EGADLP Cc1[nH+]cn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1CC[NH3+] ZINC001168011916 1383796646 /nfs/dbraw/zinc/79/66/46/1383796646.db2.gz UHYKNQKVDADKAD-HGKCTWBKSA-N 3 2 326.488 3.307 20 0 EGADLP Cc1[nH+]cn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1CC[NH3+] ZINC001168011916 1383796648 /nfs/dbraw/zinc/79/66/48/1383796648.db2.gz UHYKNQKVDADKAD-HGKCTWBKSA-N 3 2 326.488 3.307 20 0 EGADLP Cc1cc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC001168018538 1383797671 /nfs/dbraw/zinc/79/76/71/1383797671.db2.gz ZRADPMUOGUTNFQ-IRXDYDNUSA-N 2 2 326.488 3.260 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040042 1383803468 /nfs/dbraw/zinc/80/34/68/1383803468.db2.gz JYMDBWRGRLDVNP-HHUCQEJWSA-N 2 2 334.479 3.223 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040042 1383803470 /nfs/dbraw/zinc/80/34/70/1383803470.db2.gz JYMDBWRGRLDVNP-HHUCQEJWSA-N 2 2 334.479 3.223 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040042 1383803473 /nfs/dbraw/zinc/80/34/73/1383803473.db2.gz JYMDBWRGRLDVNP-HHUCQEJWSA-N 2 2 334.479 3.223 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040042 1383803476 /nfs/dbraw/zinc/80/34/76/1383803476.db2.gz JYMDBWRGRLDVNP-HHUCQEJWSA-N 2 2 334.479 3.223 20 0 EGADLP C[C@H]1CC([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046544 1383804491 /nfs/dbraw/zinc/80/44/91/1383804491.db2.gz NVVMPPJMHQUUPC-XEYPJELSSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@H]1CC([N@H+]2CC[C@@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046544 1383804493 /nfs/dbraw/zinc/80/44/93/1383804493.db2.gz NVVMPPJMHQUUPC-XEYPJELSSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001168483921 1383919656 /nfs/dbraw/zinc/91/96/56/1383919656.db2.gz CMZYKUWULSADKL-AHRSYUTCSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001168483921 1383919660 /nfs/dbraw/zinc/91/96/60/1383919660.db2.gz CMZYKUWULSADKL-AHRSYUTCSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001168483921 1383919663 /nfs/dbraw/zinc/91/96/63/1383919663.db2.gz CMZYKUWULSADKL-AHRSYUTCSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001168483921 1383919664 /nfs/dbraw/zinc/91/96/64/1383919664.db2.gz CMZYKUWULSADKL-AHRSYUTCSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001168498236 1383923736 /nfs/dbraw/zinc/92/37/36/1383923736.db2.gz RENXEUCKPKDYJQ-INIZCTEOSA-N 2 2 334.479 3.332 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001168498236 1383923738 /nfs/dbraw/zinc/92/37/38/1383923738.db2.gz RENXEUCKPKDYJQ-INIZCTEOSA-N 2 2 334.479 3.332 20 0 EGADLP CC(C)c1cc(N2C[C@@H](CC[NH3+])c3ccccc32)nc(N(C)C)[nH+]1 ZINC001168543079 1383933563 /nfs/dbraw/zinc/93/35/63/1383933563.db2.gz GIJIJRQHGHOUKO-CQSZACIVSA-N 2 2 325.460 3.250 20 0 EGADLP C=Cc1ccc(CNc2nc(N3CCC(C[NH3+])CC3)[nH+]cc2C)cc1 ZINC001168573863 1383939473 /nfs/dbraw/zinc/93/94/73/1383939473.db2.gz DUMKRPNIPMYSCX-UHFFFAOYSA-N 2 2 337.471 3.215 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168655541 1383959541 /nfs/dbraw/zinc/95/95/41/1383959541.db2.gz ZCJLCUYPXWQDFF-ICSRJNTNSA-N 2 2 332.488 3.331 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168655541 1383959547 /nfs/dbraw/zinc/95/95/47/1383959547.db2.gz ZCJLCUYPXWQDFF-ICSRJNTNSA-N 2 2 332.488 3.331 20 0 EGADLP CSc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC001168746282 1383989250 /nfs/dbraw/zinc/98/92/50/1383989250.db2.gz HRQOOAMWJRCMNY-UHFFFAOYSA-N 2 2 332.395 3.021 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001169123791 1384110408 /nfs/dbraw/zinc/11/04/08/1384110408.db2.gz MWYSDVIXFNRIQL-JFILPPLUSA-N 2 2 329.271 3.242 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001169123791 1384110410 /nfs/dbraw/zinc/11/04/10/1384110410.db2.gz MWYSDVIXFNRIQL-JFILPPLUSA-N 2 2 329.271 3.242 20 0 EGADLP CC1(C)C[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@@](C)(C[NH3+])C1 ZINC001169142691 1384113298 /nfs/dbraw/zinc/11/32/98/1384113298.db2.gz NSSJPNZTLPLDPF-VQIMIIECSA-N 2 2 327.476 3.282 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001169220862 1384123912 /nfs/dbraw/zinc/12/39/12/1384123912.db2.gz WISGXTMFUMUSBM-GOSISDBHSA-N 2 2 347.503 3.326 20 0 EGADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001308457845 1384127068 /nfs/dbraw/zinc/12/70/68/1384127068.db2.gz XYPFRFWUMRIXEH-AZUAARDMSA-N 2 2 346.515 3.312 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306181 1384134236 /nfs/dbraw/zinc/13/42/36/1384134236.db2.gz WQHTZBNIQDTZER-YNIZLOQISA-N 2 2 342.483 3.181 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306181 1384134238 /nfs/dbraw/zinc/13/42/38/1384134238.db2.gz WQHTZBNIQDTZER-YNIZLOQISA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306181 1384134240 /nfs/dbraw/zinc/13/42/40/1384134240.db2.gz WQHTZBNIQDTZER-YNIZLOQISA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306181 1384134242 /nfs/dbraw/zinc/13/42/42/1384134242.db2.gz WQHTZBNIQDTZER-YNIZLOQISA-N 2 2 342.483 3.181 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC001308957680 1384162336 /nfs/dbraw/zinc/16/23/36/1384162336.db2.gz YCQDGEZTWLXJIY-IBGZPJMESA-N 2 2 346.515 3.261 20 0 EGADLP CC(C)CCC[C@H](C)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001170065239 1384227639 /nfs/dbraw/zinc/22/76/39/1384227639.db2.gz YTWSMNCIUUWYKT-SFHVURJKSA-N 2 2 345.531 3.311 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)nn2)c1C ZINC001170451347 1384322051 /nfs/dbraw/zinc/32/20/51/1384322051.db2.gz UFHSRSXNCFWZNS-UHFFFAOYSA-N 2 2 342.491 3.342 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471649 1384325885 /nfs/dbraw/zinc/32/58/85/1384325885.db2.gz FFLWAEMMIBTEMW-OSJSJHBBSA-N 2 2 334.508 3.353 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001170562952 1384343133 /nfs/dbraw/zinc/34/31/33/1384343133.db2.gz GJEHVCWYUNHNMO-VQIMIIECSA-N 2 2 348.462 3.064 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001170562952 1384343136 /nfs/dbraw/zinc/34/31/36/1384343136.db2.gz GJEHVCWYUNHNMO-VQIMIIECSA-N 2 2 348.462 3.064 20 0 EGADLP CCCCCC[C@@H](CC)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001170599639 1384347956 /nfs/dbraw/zinc/34/79/56/1384347956.db2.gz PIMLNAOICLYIHR-QGZVFWFLSA-N 2 2 344.507 3.478 20 0 EGADLP CCCCCC[C@@H](CC)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001170599639 1384347958 /nfs/dbraw/zinc/34/79/58/1384347958.db2.gz PIMLNAOICLYIHR-QGZVFWFLSA-N 2 2 344.507 3.478 20 0 EGADLP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170787048 1384385433 /nfs/dbraw/zinc/38/54/33/1384385433.db2.gz VURLJBFOFGUGFI-WMLDXEAASA-N 2 2 348.466 3.269 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCCOCC2)CC3)cs1 ZINC001170810215 1384390061 /nfs/dbraw/zinc/39/00/61/1384390061.db2.gz AEGANPALXZREPX-SFHVURJKSA-N 2 2 349.544 3.451 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCCOCC2)CC3)cs1 ZINC001170810215 1384390064 /nfs/dbraw/zinc/39/00/64/1384390064.db2.gz AEGANPALXZREPX-SFHVURJKSA-N 2 2 349.544 3.451 20 0 EGADLP Brc1ccc2c(c1)C[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC001170844827 1384396934 /nfs/dbraw/zinc/39/69/34/1384396934.db2.gz MTCYNNISYXEEDV-MRXNPFEDSA-N 2 2 334.261 3.183 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999804 1384427583 /nfs/dbraw/zinc/42/75/83/1384427583.db2.gz DHXDDBIKRJCCNI-MOPGFXCFSA-N 2 2 346.490 3.258 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999804 1384427585 /nfs/dbraw/zinc/42/75/85/1384427585.db2.gz DHXDDBIKRJCCNI-MOPGFXCFSA-N 2 2 346.490 3.258 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150494 1384455279 /nfs/dbraw/zinc/45/52/79/1384455279.db2.gz BAUONIWELZOMAA-IAGOWNOFSA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150494 1384455280 /nfs/dbraw/zinc/45/52/80/1384455280.db2.gz BAUONIWELZOMAA-IAGOWNOFSA-N 2 2 336.524 3.289 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475714 1384534140 /nfs/dbraw/zinc/53/41/40/1384534140.db2.gz MWLFQAJAPOPEST-HOTGVXAUSA-N 2 2 336.524 3.237 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171607145 1384578330 /nfs/dbraw/zinc/57/83/30/1384578330.db2.gz ZMXZTFSBTSQYEZ-DOTOQJQBSA-N 2 2 348.535 3.278 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171607145 1384578334 /nfs/dbraw/zinc/57/83/34/1384578334.db2.gz ZMXZTFSBTSQYEZ-DOTOQJQBSA-N 2 2 348.535 3.278 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC001171623443 1384583225 /nfs/dbraw/zinc/58/32/25/1384583225.db2.gz ZCSRWQJIEZMHBI-UHFFFAOYSA-N 3 2 330.520 3.291 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171732436 1384618115 /nfs/dbraw/zinc/61/81/15/1384618115.db2.gz AINPHKQRZLKPOK-RQXATKFSSA-N 2 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171732436 1384618119 /nfs/dbraw/zinc/61/81/19/1384618119.db2.gz AINPHKQRZLKPOK-RQXATKFSSA-N 2 2 327.516 3.254 20 0 EGADLP Fc1cccc2c1C[C@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)C2 ZINC001171812548 1384647130 /nfs/dbraw/zinc/64/71/30/1384647130.db2.gz REOOJPBNCDVSOV-OAHLLOKOSA-N 2 2 329.394 3.086 20 0 EGADLP COCCCC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860532 1384663761 /nfs/dbraw/zinc/66/37/61/1384663761.db2.gz QOKCLDZKWPKPHW-INIZCTEOSA-N 2 2 349.519 3.312 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975017 1384700335 /nfs/dbraw/zinc/70/03/35/1384700335.db2.gz KDQPTKUWJASYIF-UXHICEINSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171975017 1384700338 /nfs/dbraw/zinc/70/03/38/1384700338.db2.gz KDQPTKUWJASYIF-UXHICEINSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978713 1384702089 /nfs/dbraw/zinc/70/20/89/1384702089.db2.gz LCAKDCGYNJFSGU-UXHICEINSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H](CO)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171978713 1384702091 /nfs/dbraw/zinc/70/20/91/1384702091.db2.gz LCAKDCGYNJFSGU-UXHICEINSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCOc2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978120 1384702643 /nfs/dbraw/zinc/70/26/43/1384702643.db2.gz IUPGJTSTGHZNDR-IBGZPJMESA-N 3 2 339.483 3.493 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCOc2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001171978120 1384702646 /nfs/dbraw/zinc/70/26/46/1384702646.db2.gz IUPGJTSTGHZNDR-IBGZPJMESA-N 3 2 339.483 3.493 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171983553 1384704084 /nfs/dbraw/zinc/70/40/84/1384704084.db2.gz YBXMLBPPDXGJBY-AABGKKOBSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171983553 1384704090 /nfs/dbraw/zinc/70/40/90/1384704090.db2.gz YBXMLBPPDXGJBY-AABGKKOBSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983553 1384704093 /nfs/dbraw/zinc/70/40/93/1384704093.db2.gz YBXMLBPPDXGJBY-AABGKKOBSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171983553 1384704094 /nfs/dbraw/zinc/70/40/94/1384704094.db2.gz YBXMLBPPDXGJBY-AABGKKOBSA-N 2 2 328.500 3.398 20 0 EGADLP Cn1c[nH+]c2c1CCN([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171988494 1384705838 /nfs/dbraw/zinc/70/58/38/1384705838.db2.gz RWLSSDUAMJAQDN-GOSISDBHSA-N 2 2 338.499 3.221 20 0 EGADLP Cn1c[nH+]c2c1CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171988494 1384705840 /nfs/dbraw/zinc/70/58/40/1384705840.db2.gz RWLSSDUAMJAQDN-GOSISDBHSA-N 2 2 338.499 3.221 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C2 ZINC001172108926 1384727808 /nfs/dbraw/zinc/72/78/08/1384727808.db2.gz FTJKBKISDGIGAS-NFFDBFGFSA-N 2 2 326.843 3.117 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C2 ZINC001172108926 1384727810 /nfs/dbraw/zinc/72/78/10/1384727810.db2.gz FTJKBKISDGIGAS-NFFDBFGFSA-N 2 2 326.843 3.117 20 0 EGADLP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172197477 1384745374 /nfs/dbraw/zinc/74/53/74/1384745374.db2.gz LXIDRDZJNYYARS-QGZVFWFLSA-N 2 2 325.481 3.048 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172204379 1384747638 /nfs/dbraw/zinc/74/76/38/1384747638.db2.gz AUWRCOFKVBZEMY-MOPGFXCFSA-N 2 2 346.540 3.279 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172204379 1384747640 /nfs/dbraw/zinc/74/76/40/1384747640.db2.gz AUWRCOFKVBZEMY-MOPGFXCFSA-N 2 2 346.540 3.279 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001172362216 1384778023 /nfs/dbraw/zinc/77/80/23/1384778023.db2.gz ROSSPNPNQFOXMR-HZPDHXFCSA-N 2 2 335.492 3.242 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372332 1384779293 /nfs/dbraw/zinc/77/92/93/1384779293.db2.gz DYLHVCOUQOVWMK-BRWVUGGUSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372332 1384779296 /nfs/dbraw/zinc/77/92/96/1384779296.db2.gz DYLHVCOUQOVWMK-BRWVUGGUSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372332 1384779311 /nfs/dbraw/zinc/77/93/11/1384779311.db2.gz DYLHVCOUQOVWMK-BRWVUGGUSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372332 1384779312 /nfs/dbraw/zinc/77/93/12/1384779312.db2.gz DYLHVCOUQOVWMK-BRWVUGGUSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)OCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172435265 1384791440 /nfs/dbraw/zinc/79/14/40/1384791440.db2.gz DSOHONUJKHKCGV-SWLSCSKDSA-N 2 2 329.282 3.242 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172453830 1384795696 /nfs/dbraw/zinc/79/56/96/1384795696.db2.gz ZITBAPIXGWUALQ-DLBZAZTESA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172453830 1384795697 /nfs/dbraw/zinc/79/56/97/1384795697.db2.gz ZITBAPIXGWUALQ-DLBZAZTESA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001172453830 1384795700 /nfs/dbraw/zinc/79/57/00/1384795700.db2.gz ZITBAPIXGWUALQ-DLBZAZTESA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001172453830 1384795701 /nfs/dbraw/zinc/79/57/01/1384795701.db2.gz ZITBAPIXGWUALQ-DLBZAZTESA-N 2 2 336.524 3.304 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607546 1384818506 /nfs/dbraw/zinc/81/85/06/1384818506.db2.gz ASZGPPNDDIBCFI-AZUAARDMSA-N 2 2 344.499 3.315 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607546 1384818507 /nfs/dbraw/zinc/81/85/07/1384818507.db2.gz ASZGPPNDDIBCFI-AZUAARDMSA-N 2 2 344.499 3.315 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](OC)C2)CC1 ZINC001172923605 1384879957 /nfs/dbraw/zinc/87/99/57/1384879957.db2.gz NNTLYGZOTAZBOY-RBUKOAKNSA-N 2 2 332.488 3.207 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068847 1384906695 /nfs/dbraw/zinc/90/66/95/1384906695.db2.gz HFZNDDNEWAEHAO-RDJZCZTQSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068847 1384906698 /nfs/dbraw/zinc/90/66/98/1384906698.db2.gz HFZNDDNEWAEHAO-RDJZCZTQSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068844 1384906827 /nfs/dbraw/zinc/90/68/27/1384906827.db2.gz HFZNDDNEWAEHAO-DOTOQJQBSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068844 1384906830 /nfs/dbraw/zinc/90/68/30/1384906830.db2.gz HFZNDDNEWAEHAO-DOTOQJQBSA-N 2 2 339.524 3.191 20 0 EGADLP Fc1cc2c(cc1F)CC(N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001173482080 1384978833 /nfs/dbraw/zinc/97/88/33/1384978833.db2.gz VKAWAUCZNWAJKF-UHFFFAOYSA-N 2 2 329.394 3.086 20 0 EGADLP c1ccc2c(Nc3ccc(CC[NH+]4CCOCC4)cc3)cc[nH+]c2c1 ZINC001174039888 1385049432 /nfs/dbraw/zinc/04/94/32/1385049432.db2.gz GOTMFFSXQOZXFM-UHFFFAOYSA-N 2 2 333.435 3.275 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174579878 1385122031 /nfs/dbraw/zinc/12/20/31/1385122031.db2.gz DEHCMSAFSIUJSW-OOFWQKGWSA-N 2 2 334.508 3.284 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580212 1385122051 /nfs/dbraw/zinc/12/20/51/1385122051.db2.gz IDZKDPSMGBTCIC-QZTJIDSGSA-N 2 2 336.524 3.220 20 0 EGADLP C[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCC1CCCCCC1 ZINC001317453280 1385151537 /nfs/dbraw/zinc/15/15/37/1385151537.db2.gz NUWIXQSLMKCBMI-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP C[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCC1CCCCCC1 ZINC001317453280 1385151539 /nfs/dbraw/zinc/15/15/39/1385151539.db2.gz NUWIXQSLMKCBMI-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357189 1385264424 /nfs/dbraw/zinc/26/44/24/1385264424.db2.gz DTKWYXZJNNEFPJ-CGTJXYLNSA-N 2 2 348.535 3.224 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175644651 1385361959 /nfs/dbraw/zinc/36/19/59/1385361959.db2.gz OUOSCQAJTIUOCC-DLBZAZTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175644651 1385361964 /nfs/dbraw/zinc/36/19/64/1385361964.db2.gz OUOSCQAJTIUOCC-DLBZAZTESA-N 2 2 348.535 3.433 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3ccc4c(c3)[nH+]cn4C)cc2)CC1 ZINC001175781391 1385403685 /nfs/dbraw/zinc/40/36/85/1385403685.db2.gz GXFXWZHDBGKLMK-UHFFFAOYSA-N 2 2 335.455 3.459 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC001175880594 1385428374 /nfs/dbraw/zinc/42/83/74/1385428374.db2.gz AQJUYEXGWLDFSF-LSDHHAIUSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881362 1385428915 /nfs/dbraw/zinc/42/89/15/1385428915.db2.gz OKEFBTFSJMJMNS-GJZGRUSLSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)n1cc[nH+]c1 ZINC001318012475 1385607736 /nfs/dbraw/zinc/60/77/36/1385607736.db2.gz BZYNPAMWURQYJP-IRXDYDNUSA-N 2 2 340.471 3.135 20 0 EGADLP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)n1cc[nH+]c1 ZINC001318012475 1385607741 /nfs/dbraw/zinc/60/77/41/1385607741.db2.gz BZYNPAMWURQYJP-IRXDYDNUSA-N 2 2 340.471 3.135 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CCCn1cc[nH+]c1 ZINC001176809836 1385709757 /nfs/dbraw/zinc/70/97/57/1385709757.db2.gz DRMIUJGADNBOIX-KRWDZBQOSA-N 2 2 340.487 3.068 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001176829600 1385715024 /nfs/dbraw/zinc/71/50/24/1385715024.db2.gz OPCWTQWRJNZGOE-CVEARBPZSA-N 2 2 346.450 3.048 20 0 EGADLP C[C@H]1CCCC[C@]1(C[NH2+]CC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318743450 1385850137 /nfs/dbraw/zinc/85/01/37/1385850137.db2.gz GLNFYJGISMMNKR-VBKZILBWSA-N 2 2 340.471 3.241 20 0 EGADLP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177301333 1385903953 /nfs/dbraw/zinc/90/39/53/1385903953.db2.gz WHCHYXVFZUAZIJ-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N(CCC[NH2+]C(C)C)CC1CCCC1 ZINC001177348401 1385923023 /nfs/dbraw/zinc/92/30/23/1385923023.db2.gz GTFSKMSZKPANJI-UHFFFAOYSA-N 2 2 347.503 3.040 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178536274 1386243017 /nfs/dbraw/zinc/24/30/17/1386243017.db2.gz TYYKXOQNJJDOJZ-UHFFFAOYSA-N 2 2 348.535 3.218 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001178649622 1386268921 /nfs/dbraw/zinc/26/89/21/1386268921.db2.gz RDCGRMYCAQLYGA-UHFFFAOYSA-N 2 2 346.519 3.499 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001178649622 1386268926 /nfs/dbraw/zinc/26/89/26/1386268926.db2.gz RDCGRMYCAQLYGA-UHFFFAOYSA-N 2 2 346.519 3.499 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178654898 1386270483 /nfs/dbraw/zinc/27/04/83/1386270483.db2.gz ZEGKPYBJZWQJBZ-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178654898 1386270485 /nfs/dbraw/zinc/27/04/85/1386270485.db2.gz ZEGKPYBJZWQJBZ-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1F ZINC001319763891 1386285602 /nfs/dbraw/zinc/28/56/02/1386285602.db2.gz VREIDVYWRGEGDU-QGZVFWFLSA-N 2 2 341.474 3.424 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752190 1386293880 /nfs/dbraw/zinc/29/38/80/1386293880.db2.gz JWOMIYAARNIAMP-MULDZMIYSA-N 2 2 332.492 3.136 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752190 1386293884 /nfs/dbraw/zinc/29/38/84/1386293884.db2.gz JWOMIYAARNIAMP-MULDZMIYSA-N 2 2 332.492 3.136 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178865136 1386333342 /nfs/dbraw/zinc/33/33/42/1386333342.db2.gz PIHRWSLBCGKTMJ-DDKKJVIOSA-N 2 2 346.519 3.068 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880136 1386337110 /nfs/dbraw/zinc/33/71/10/1386337110.db2.gz ISFPHXLFRRXIEB-KRWDZBQOSA-N 2 2 348.535 3.279 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880136 1386337112 /nfs/dbraw/zinc/33/71/12/1386337112.db2.gz ISFPHXLFRRXIEB-KRWDZBQOSA-N 2 2 348.535 3.279 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178879936 1386337147 /nfs/dbraw/zinc/33/71/47/1386337147.db2.gz HJAHWWVOOGKLQT-SFHVURJKSA-N 2 2 348.535 3.292 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517250 1386503868 /nfs/dbraw/zinc/50/38/68/1386503868.db2.gz NYBDXDJLRXEIPK-WEFMNJOJSA-N 2 2 344.503 3.155 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179517588 1386504120 /nfs/dbraw/zinc/50/41/20/1386504120.db2.gz RGCGXEKFTZRZMO-JYJNAYRXSA-N 2 2 346.519 3.235 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001179689986 1386555147 /nfs/dbraw/zinc/55/51/47/1386555147.db2.gz VCVLZHHVFPPGTB-UHFFFAOYSA-N 2 2 348.878 3.072 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179692418 1386555606 /nfs/dbraw/zinc/55/56/06/1386555606.db2.gz PXLJSMSNXLWGES-BXWFABGCSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C ZINC001179692418 1386555611 /nfs/dbraw/zinc/55/56/11/1386555611.db2.gz PXLJSMSNXLWGES-BXWFABGCSA-N 2 2 346.519 3.138 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc2c[nH+]cn2c1C ZINC001321037807 1386791016 /nfs/dbraw/zinc/79/10/16/1386791016.db2.gz XNOFMSSUAVOJSZ-UHFFFAOYSA-N 2 2 346.390 3.494 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC001180478237 1386809952 /nfs/dbraw/zinc/80/99/52/1386809952.db2.gz JREHTBLEDVLNRK-MRXNPFEDSA-N 2 2 346.450 3.050 20 0 EGADLP CC(=O)Nc1cccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1C ZINC001321688477 1386957113 /nfs/dbraw/zinc/95/71/13/1386957113.db2.gz CDTSLKQGAUQUTG-UHFFFAOYSA-N 2 2 349.394 3.095 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638864 1387027683 /nfs/dbraw/zinc/02/76/83/1387027683.db2.gz VZQJGOZXJRBTKY-NQIIRXRSSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638864 1387027686 /nfs/dbraw/zinc/02/76/86/1387027686.db2.gz VZQJGOZXJRBTKY-NQIIRXRSSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638866 1387027827 /nfs/dbraw/zinc/02/78/27/1387027827.db2.gz VZQJGOZXJRBTKY-RXVVDRJESA-N 2 2 346.515 3.408 20 0 EGADLP C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638866 1387027829 /nfs/dbraw/zinc/02/78/29/1387027829.db2.gz VZQJGOZXJRBTKY-RXVVDRJESA-N 2 2 346.515 3.408 20 0 EGADLP C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638868 1387028134 /nfs/dbraw/zinc/02/81/34/1387028134.db2.gz VZQJGOZXJRBTKY-WIYYLYMNSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638868 1387028139 /nfs/dbraw/zinc/02/81/39/1387028139.db2.gz VZQJGOZXJRBTKY-WIYYLYMNSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001181781375 1387054631 /nfs/dbraw/zinc/05/46/31/1387054631.db2.gz OQPZMUWQTBZKNW-AXHMDWHKSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001181781375 1387054633 /nfs/dbraw/zinc/05/46/33/1387054633.db2.gz OQPZMUWQTBZKNW-AXHMDWHKSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001322220160 1387107673 /nfs/dbraw/zinc/10/76/73/1387107673.db2.gz ZSUUTAPKCFFIGS-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001322220160 1387107676 /nfs/dbraw/zinc/10/76/76/1387107676.db2.gz ZSUUTAPKCFFIGS-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182580180 1387190454 /nfs/dbraw/zinc/19/04/54/1387190454.db2.gz PIUKAHRLHBYMQM-OOFWQKGWSA-N 2 2 340.471 3.193 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(Br)n2)C1 ZINC001333027116 1390239029 /nfs/dbraw/zinc/23/90/29/1390239029.db2.gz GSYYADXJISKJFP-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(Br)n2)C1 ZINC001333027116 1390239031 /nfs/dbraw/zinc/23/90/31/1390239031.db2.gz GSYYADXJISKJFP-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2CN(c3nc4ccccc4n4c[nH+]cc34)C[C@@H]2C1 ZINC001333874642 1390426628 /nfs/dbraw/zinc/42/66/28/1390426628.db2.gz BPPJRVJFIAHHOB-HRCADAONSA-N 2 2 335.455 3.049 20 0 EGADLP Cn1c[nH+]cc1C1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC001342255577 1390591765 /nfs/dbraw/zinc/59/17/65/1390591765.db2.gz WVOCHGTUPBHKGD-GOSISDBHSA-N 2 2 346.519 3.204 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3[nH+]ccn3C)cc2)C1 ZINC001346283330 1390919624 /nfs/dbraw/zinc/91/96/24/1390919624.db2.gz IYTQRMOOGOBEOO-INIZCTEOSA-N 2 2 340.471 3.223 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3[nH+]ccn3C)cc2)C1 ZINC001346283330 1390919625 /nfs/dbraw/zinc/91/96/25/1390919625.db2.gz IYTQRMOOGOBEOO-INIZCTEOSA-N 2 2 340.471 3.223 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC001347943700 1391149586 /nfs/dbraw/zinc/14/95/86/1391149586.db2.gz AQCCPCXRSBHZNV-UHFFFAOYSA-N 2 2 338.499 3.007 20 0 EGADLP Cc1nc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)sc1C ZINC001351987580 1391739241 /nfs/dbraw/zinc/73/92/41/1391739241.db2.gz OFKLPQSTRGSNSQ-SFHVURJKSA-N 2 2 329.513 3.414 20 0 EGADLP Cc1nc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)sc1C ZINC001351987580 1391739242 /nfs/dbraw/zinc/73/92/42/1391739242.db2.gz OFKLPQSTRGSNSQ-SFHVURJKSA-N 2 2 329.513 3.414 20 0 EGADLP CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CC2CCC2)CC1 ZINC001479994937 1392526738 /nfs/dbraw/zinc/52/67/38/1392526738.db2.gz DWQYBFOGZFCQRV-KRWDZBQOSA-N 2 2 346.519 3.337 20 0 EGADLP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698871528 1406591270 /nfs/dbraw/zinc/59/12/70/1406591270.db2.gz NSXFNYNPVKNSFE-SFHVURJKSA-N 2 2 340.471 3.016 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001481042384 1393104151 /nfs/dbraw/zinc/10/41/51/1393104151.db2.gz GFRIGPQKCZAQAP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001481042384 1393104152 /nfs/dbraw/zinc/10/41/52/1393104152.db2.gz GFRIGPQKCZAQAP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001481042384 1393104153 /nfs/dbraw/zinc/10/41/53/1393104153.db2.gz GFRIGPQKCZAQAP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001481042384 1393104154 /nfs/dbraw/zinc/10/41/54/1393104154.db2.gz GFRIGPQKCZAQAP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP CCC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)c1cccc(Cl)c1 ZINC001481149482 1393134709 /nfs/dbraw/zinc/13/47/09/1393134709.db2.gz ICURNFUSNVWZAQ-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)c1cccc(Cl)c1 ZINC001481149482 1393134710 /nfs/dbraw/zinc/13/47/10/1393134710.db2.gz ICURNFUSNVWZAQ-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001481285769 1393158436 /nfs/dbraw/zinc/15/84/36/1393158436.db2.gz QDGBZBRPFIUPNA-LSDHHAIUSA-N 2 2 348.878 3.297 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001490934494 1394378901 /nfs/dbraw/zinc/37/89/01/1394378901.db2.gz OPPQQHZMLBXPPR-KBAYOESNSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001490934494 1394378904 /nfs/dbraw/zinc/37/89/04/1394378904.db2.gz OPPQQHZMLBXPPR-KBAYOESNSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)c(C)[nH+]1 ZINC001491359206 1394511297 /nfs/dbraw/zinc/51/12/97/1394511297.db2.gz JJXORNZCSCAYBF-RUDMXATFSA-N 2 2 335.879 3.390 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482399291 1394960811 /nfs/dbraw/zinc/96/08/11/1394960811.db2.gz QSTANIXTIKEYLF-SJORKVTESA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482399290 1394960966 /nfs/dbraw/zinc/96/09/66/1394960966.db2.gz QSTANIXTIKEYLF-IRXDYDNUSA-N 2 2 342.487 3.142 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761534 1395514821 /nfs/dbraw/zinc/51/48/21/1395514821.db2.gz WUFDVIIDOCLTEP-GOSISDBHSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761534 1395514825 /nfs/dbraw/zinc/51/48/25/1395514825.db2.gz WUFDVIIDOCLTEP-GOSISDBHSA-N 2 2 346.450 3.023 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001497865833 1396863418 /nfs/dbraw/zinc/86/34/18/1396863418.db2.gz UTMKYQVHRDESQB-IAGOWNOFSA-N 2 2 342.487 3.262 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001690392483 1404533227 /nfs/dbraw/zinc/53/32/27/1404533227.db2.gz YTTHXMSBBLSYHM-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001690392483 1404533233 /nfs/dbraw/zinc/53/32/33/1404533233.db2.gz YTTHXMSBBLSYHM-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001690981076 1404894036 /nfs/dbraw/zinc/89/40/36/1404894036.db2.gz ZBTDTAPGSUMVLD-OAHLLOKOSA-N 2 2 342.487 3.059 20 0 EGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001690981076 1404894038 /nfs/dbraw/zinc/89/40/38/1404894038.db2.gz ZBTDTAPGSUMVLD-OAHLLOKOSA-N 2 2 342.487 3.059 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001690991248 1404909345 /nfs/dbraw/zinc/90/93/45/1404909345.db2.gz TVHLQCJXIPQUMO-QGZVFWFLSA-N 2 2 348.878 3.113 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001690991248 1404909348 /nfs/dbraw/zinc/90/93/48/1404909348.db2.gz TVHLQCJXIPQUMO-QGZVFWFLSA-N 2 2 348.878 3.113 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001691217533 1405158447 /nfs/dbraw/zinc/15/84/47/1405158447.db2.gz NVNUPBIXIIWAFU-MRXNPFEDSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001691217533 1405158451 /nfs/dbraw/zinc/15/84/51/1405158451.db2.gz NVNUPBIXIIWAFU-MRXNPFEDSA-N 2 2 342.487 3.211 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001691867002 1405587569 /nfs/dbraw/zinc/58/75/69/1405587569.db2.gz KYBJZZSFZVJRSC-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001691867002 1405587570 /nfs/dbraw/zinc/58/75/70/1405587570.db2.gz KYBJZZSFZVJRSC-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C)C[C@H]3C[NH2+]CC(C)C)ccn12 ZINC001692070250 1405759399 /nfs/dbraw/zinc/75/93/99/1405759399.db2.gz YRXOXIZWGNULJW-QAPCUYQASA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001732219084 1428467521 /nfs/dbraw/zinc/46/75/21/1428467521.db2.gz VMNWINICSKDORJ-LRDDRELGSA-N 2 2 348.878 3.160 20 0 EGADLP CC[C@@H]([NH2+]CCN(CC)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001699209828 1412576102 /nfs/dbraw/zinc/57/61/02/1412576102.db2.gz LNQPALFYHHIWQJ-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001699411556 1412724969 /nfs/dbraw/zinc/72/49/69/1412724969.db2.gz BFFJVHURMSOQOA-HNNXBMFYSA-N 2 2 348.450 3.120 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCC1CCCCCC1 ZINC001732572073 1428768089 /nfs/dbraw/zinc/76/80/89/1428768089.db2.gz QDRQLMXAVRYFAZ-IBGZPJMESA-N 2 2 348.535 3.054 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001700900547 1414556053 /nfs/dbraw/zinc/55/60/53/1414556053.db2.gz JLSVWECWPGVUGY-SJORKVTESA-N 2 2 342.487 3.259 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCn1cc[nH+]c1 ZINC001707046682 1417158391 /nfs/dbraw/zinc/15/83/91/1417158391.db2.gz JPVDUKGFORPRDX-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCn1cc[nH+]c1 ZINC001707046682 1417158395 /nfs/dbraw/zinc/15/83/95/1417158395.db2.gz JPVDUKGFORPRDX-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001713784180 1418600533 /nfs/dbraw/zinc/60/05/33/1418600533.db2.gz KRWKTMZWBQIQHF-MRXNPFEDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001713784180 1418600536 /nfs/dbraw/zinc/60/05/36/1418600536.db2.gz KRWKTMZWBQIQHF-MRXNPFEDSA-N 2 2 348.535 3.337 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714156109 1418966405 /nfs/dbraw/zinc/96/64/05/1418966405.db2.gz MDFPQYONJNKTBX-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714156109 1418966407 /nfs/dbraw/zinc/96/64/07/1418966407.db2.gz MDFPQYONJNKTBX-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)CCCC(C)(C)C)ccn12 ZINC001714543166 1419268678 /nfs/dbraw/zinc/26/86/78/1419268678.db2.gz NUMPXOVCPDKTIS-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)CCCC(C)(C)C)ccn12 ZINC001714543166 1419268680 /nfs/dbraw/zinc/26/86/80/1419268680.db2.gz NUMPXOVCPDKTIS-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP C[C@H]([NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001716616266 1420780028 /nfs/dbraw/zinc/78/00/28/1420780028.db2.gz KHLBZKGBOGFBLN-YJBOKZPZSA-N 2 2 348.450 3.194 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001717207577 1421178900 /nfs/dbraw/zinc/17/89/00/1421178900.db2.gz HKQJUXOXXGSJBQ-KRWDZBQOSA-N 2 2 342.487 3.192 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001717207577 1421178902 /nfs/dbraw/zinc/17/89/02/1421178902.db2.gz HKQJUXOXXGSJBQ-KRWDZBQOSA-N 2 2 342.487 3.192 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001717207577 1421178904 /nfs/dbraw/zinc/17/89/04/1421178904.db2.gz HKQJUXOXXGSJBQ-KRWDZBQOSA-N 2 2 342.487 3.192 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001717207577 1421178905 /nfs/dbraw/zinc/17/89/05/1421178905.db2.gz HKQJUXOXXGSJBQ-KRWDZBQOSA-N 2 2 342.487 3.192 20 0 EGADLP C[C@@H](c1ccccc1F)[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001717207964 1421179490 /nfs/dbraw/zinc/17/94/90/1421179490.db2.gz WXYQTSFWNHQIFJ-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](c1ccccc1F)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001717207964 1421179492 /nfs/dbraw/zinc/17/94/92/1421179492.db2.gz WXYQTSFWNHQIFJ-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C/Cl ZINC001717513892 1421450710 /nfs/dbraw/zinc/45/07/10/1421450710.db2.gz DRQYNEPAMLNOAT-NFBGWVBBSA-N 2 2 348.878 3.392 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CC3CCC3)C(C)(C)C)ccn12 ZINC001717958445 1421729926 /nfs/dbraw/zinc/72/99/26/1421729926.db2.gz FMYLEGPSFNEUFT-QGZVFWFLSA-N 2 2 342.487 3.177 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001717971510 1421743241 /nfs/dbraw/zinc/74/32/41/1421743241.db2.gz MNDAXENYDYCLHF-GOSISDBHSA-N 2 2 348.535 3.054 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001723928467 1424606410 /nfs/dbraw/zinc/60/64/10/1424606410.db2.gz SAFICKBEANXNBY-LAQIPUCWSA-N 2 2 340.471 3.275 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2C1 ZINC001724923924 1425312658 /nfs/dbraw/zinc/31/26/58/1425312658.db2.gz RQYSCEGMTZINQJ-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)CCCn3cc[nH+]c3)cc2C1 ZINC001724923924 1425312664 /nfs/dbraw/zinc/31/26/64/1425312664.db2.gz RQYSCEGMTZINQJ-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)cc2C1 ZINC001724924175 1425314436 /nfs/dbraw/zinc/31/44/36/1425314436.db2.gz VNPHJCNHHCBTMU-OAHLLOKOSA-N 2 2 340.471 3.020 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)cc2C1 ZINC001724924175 1425314445 /nfs/dbraw/zinc/31/44/45/1425314445.db2.gz VNPHJCNHHCBTMU-OAHLLOKOSA-N 2 2 340.471 3.020 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)cc2C1 ZINC001724924175 1425314448 /nfs/dbraw/zinc/31/44/48/1425314448.db2.gz VNPHJCNHHCBTMU-OAHLLOKOSA-N 2 2 340.471 3.020 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)cc2C1 ZINC001724924175 1425314454 /nfs/dbraw/zinc/31/44/54/1425314454.db2.gz VNPHJCNHHCBTMU-OAHLLOKOSA-N 2 2 340.471 3.020 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CCCCC1 ZINC001731609133 1427654847 /nfs/dbraw/zinc/65/48/47/1427654847.db2.gz SPSUYOUFABSTFC-MRXNPFEDSA-N 2 2 340.471 3.161 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001731620038 1427668765 /nfs/dbraw/zinc/66/87/65/1427668765.db2.gz CIYWXFHMLUPQMR-LSDHHAIUSA-N 2 2 342.487 3.105 20 0 EGADLP CC[C@@H]([NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1)c1ccccc1 ZINC001734599177 1438182030 /nfs/dbraw/zinc/18/20/30/1438182030.db2.gz QRQPSXGBVITTBH-CTWPCTMYSA-N 2 2 340.471 3.004 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)c[nH+]1 ZINC001752642323 1440197752 /nfs/dbraw/zinc/19/77/52/1440197752.db2.gz PYKTYGBLAOQPDI-IYARVYRRSA-N 2 2 346.519 3.134 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834412 1440226940 /nfs/dbraw/zinc/22/69/40/1440226940.db2.gz RPAPHPZFIGUDKW-QVOQXLMASA-N 2 2 344.503 3.154 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834412 1440226941 /nfs/dbraw/zinc/22/69/41/1440226941.db2.gz RPAPHPZFIGUDKW-QVOQXLMASA-N 2 2 344.503 3.154 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752971188 1440254907 /nfs/dbraw/zinc/25/49/07/1440254907.db2.gz JMEYQWPABSZJGF-KKSLTYSGSA-N 2 2 345.487 3.006 20 0 EGADLP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999093 1440263741 /nfs/dbraw/zinc/26/37/41/1440263741.db2.gz SDBWWZVCXBDWHC-PJHKVULZSA-N 2 2 332.492 3.113 20 0 EGADLP CC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999093 1440263742 /nfs/dbraw/zinc/26/37/42/1440263742.db2.gz SDBWWZVCXBDWHC-PJHKVULZSA-N 2 2 332.492 3.113 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C/c1ccccc1 ZINC001753009195 1440266538 /nfs/dbraw/zinc/26/65/38/1440266538.db2.gz AJWBUOOCSRMVMS-CDVVCGDMSA-N 2 2 348.450 3.374 20 0 EGADLP C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001753280682 1440347385 /nfs/dbraw/zinc/34/73/85/1440347385.db2.gz KCSIBVQNQUPGQL-HNNXBMFYSA-N 2 2 348.535 3.340 20 0 EGADLP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001753364876 1440384499 /nfs/dbraw/zinc/38/44/99/1440384499.db2.gz GEICHQLKIMGCOX-MRXNPFEDSA-N 2 2 348.535 3.143 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001753364876 1440384500 /nfs/dbraw/zinc/38/45/00/1440384500.db2.gz GEICHQLKIMGCOX-MRXNPFEDSA-N 2 2 348.535 3.143 20 0 EGADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753635166 1440453070 /nfs/dbraw/zinc/45/30/70/1440453070.db2.gz YCJDAYUWJBLQNR-IRXDYDNUSA-N 2 2 346.519 3.147 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C[NH2+]CC(C)C)C2CCCCC2)c[nH+]1 ZINC001753746073 1440481096 /nfs/dbraw/zinc/48/10/96/1440481096.db2.gz NMWALHOOGYSXNF-SFHVURJKSA-N 2 2 348.535 3.237 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001753756274 1440483158 /nfs/dbraw/zinc/48/31/58/1440483158.db2.gz BXNDNGNCRYZQMA-HOCLYGCPSA-N 2 2 342.487 3.439 20 0 EGADLP CC1CCC(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC001753789893 1440488804 /nfs/dbraw/zinc/48/88/04/1440488804.db2.gz GBGXICDSNQCDNA-CTWPCTMYSA-N 2 2 346.519 3.070 20 0 EGADLP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753802422 1440491274 /nfs/dbraw/zinc/49/12/74/1440491274.db2.gz ZUVZDMKZCVSIJA-ANBQXBGZSA-N 2 2 346.519 3.224 20 0 EGADLP CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753819484 1440495348 /nfs/dbraw/zinc/49/53/48/1440495348.db2.gz UBGSSECVKJGOIQ-YJBOKZPZSA-N 2 2 342.487 3.273 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001754080050 1440539268 /nfs/dbraw/zinc/53/92/68/1440539268.db2.gz KUUSDEDTDFYJEE-AWEZNQCLSA-N 2 2 346.450 3.026 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001754176508 1440547620 /nfs/dbraw/zinc/54/76/20/1440547620.db2.gz GTFPRBHCLNIANN-JDTHPWDHSA-N 2 2 340.471 3.166 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001754231128 1440554087 /nfs/dbraw/zinc/55/40/87/1440554087.db2.gz CCNDFJDPADQORZ-CABCVRRESA-N 2 2 336.439 3.340 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC001754256244 1440559277 /nfs/dbraw/zinc/55/92/77/1440559277.db2.gz UJSACMGAYSQCEY-CABCVRRESA-N 2 2 348.878 3.172 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754543354 1440626669 /nfs/dbraw/zinc/62/66/69/1440626669.db2.gz BRXJJMCGFYHXJM-ZJBAIYCDSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754543354 1440626670 /nfs/dbraw/zinc/62/66/70/1440626670.db2.gz BRXJJMCGFYHXJM-ZJBAIYCDSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754543354 1440626671 /nfs/dbraw/zinc/62/66/71/1440626671.db2.gz BRXJJMCGFYHXJM-ZJBAIYCDSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754543354 1440626672 /nfs/dbraw/zinc/62/66/72/1440626672.db2.gz BRXJJMCGFYHXJM-ZJBAIYCDSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754544052 1440626779 /nfs/dbraw/zinc/62/67/79/1440626779.db2.gz JSKAJBGHLLGIQG-BSMJBHPZSA-N 2 2 344.503 3.256 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754544052 1440626780 /nfs/dbraw/zinc/62/67/80/1440626780.db2.gz JSKAJBGHLLGIQG-BSMJBHPZSA-N 2 2 344.503 3.256 20 0 EGADLP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566745 1440635843 /nfs/dbraw/zinc/63/58/43/1440635843.db2.gz BLCJHLFOZAOKAG-ICSRJNTNSA-N 2 2 346.519 3.339 20 0 EGADLP CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566745 1440635844 /nfs/dbraw/zinc/63/58/44/1440635844.db2.gz BLCJHLFOZAOKAG-ICSRJNTNSA-N 2 2 346.519 3.339 20 0 EGADLP CCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001754599152 1440642083 /nfs/dbraw/zinc/64/20/83/1440642083.db2.gz YRYBURGINOFOGV-ZBFHGGJFSA-N 2 2 328.460 3.336 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001754631289 1440647949 /nfs/dbraw/zinc/64/79/49/1440647949.db2.gz VWOLPNHVXZMMKM-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001754631289 1440647950 /nfs/dbraw/zinc/64/79/50/1440647950.db2.gz VWOLPNHVXZMMKM-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754797640 1440689928 /nfs/dbraw/zinc/68/99/28/1440689928.db2.gz RSVIQDVUDULDET-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871832 1440705325 /nfs/dbraw/zinc/70/53/25/1440705325.db2.gz MVIQKCMCHLJJMH-RBUKOAKNSA-N 2 2 346.519 3.309 20 0 EGADLP CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871832 1440705326 /nfs/dbraw/zinc/70/53/26/1440705326.db2.gz MVIQKCMCHLJJMH-RBUKOAKNSA-N 2 2 346.519 3.309 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755033752 1440733079 /nfs/dbraw/zinc/73/30/79/1440733079.db2.gz DNKZZXYPOZJVFA-IBGZPJMESA-N 2 2 344.503 3.134 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755033752 1440733080 /nfs/dbraw/zinc/73/30/80/1440733080.db2.gz DNKZZXYPOZJVFA-IBGZPJMESA-N 2 2 344.503 3.134 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001755034695 1440733590 /nfs/dbraw/zinc/73/35/90/1440733590.db2.gz XBIFYFIZBNDJMY-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001755034695 1440733591 /nfs/dbraw/zinc/73/35/91/1440733591.db2.gz XBIFYFIZBNDJMY-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP CCC1([NH2+]CCCC(C)(C)C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755074559 1440748011 /nfs/dbraw/zinc/74/80/11/1440748011.db2.gz DBCNFLRWTLTFCU-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079705 1440750654 /nfs/dbraw/zinc/75/06/54/1440750654.db2.gz PMQMOPWJHAFSKN-BBIZLLLXSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C\CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079705 1440750655 /nfs/dbraw/zinc/75/06/55/1440750655.db2.gz PMQMOPWJHAFSKN-BBIZLLLXSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)[NH2+][C@H](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001755341684 1440825599 /nfs/dbraw/zinc/82/55/99/1440825599.db2.gz NHUKURUZMLRGIF-LJQANCHMSA-N 2 2 342.487 3.357 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001755354250 1440828922 /nfs/dbraw/zinc/82/89/22/1440828922.db2.gz GRIPZHGSFQHQOE-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001755354250 1440828923 /nfs/dbraw/zinc/82/89/23/1440828923.db2.gz GRIPZHGSFQHQOE-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001755450982 1440853471 /nfs/dbraw/zinc/85/34/71/1440853471.db2.gz CJTYYTAYMGKDJW-RCCFBDPRSA-N 2 2 346.519 3.058 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001755450982 1440853472 /nfs/dbraw/zinc/85/34/72/1440853472.db2.gz CJTYYTAYMGKDJW-RCCFBDPRSA-N 2 2 346.519 3.058 20 0 EGADLP CCc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755607183 1440886025 /nfs/dbraw/zinc/88/60/25/1440886025.db2.gz QHXQFDPXBXOHGP-IRXDYDNUSA-N 2 2 342.487 3.033 20 0 EGADLP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755856623 1440935834 /nfs/dbraw/zinc/93/58/34/1440935834.db2.gz GHZHHFWJFZLTEV-AATRIKPKSA-N 2 2 340.471 3.192 20 0 EGADLP CN(C)c1cccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164629222 719059243 /nfs/dbraw/zinc/05/92/43/719059243.db2.gz WPKVLTXQRFXDCA-OALUTQOASA-N 2 2 336.483 3.248 20 0 EGADLP CN(C)c1cccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164629222 719059247 /nfs/dbraw/zinc/05/92/47/719059247.db2.gz WPKVLTXQRFXDCA-OALUTQOASA-N 2 2 336.483 3.248 20 0 EGADLP O[C@H](c1[nH]cc[nH+]1)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000369082551 168398906 /nfs/dbraw/zinc/39/89/06/168398906.db2.gz FUEAGDWADJVHCZ-KRWDZBQOSA-N 2 2 326.375 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958972 231082503 /nfs/dbraw/zinc/08/25/03/231082503.db2.gz TWQKOAKPIMAUFE-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958972 231082506 /nfs/dbraw/zinc/08/25/06/231082506.db2.gz TWQKOAKPIMAUFE-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173958972 231082509 /nfs/dbraw/zinc/08/25/09/231082509.db2.gz TWQKOAKPIMAUFE-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173958972 231082512 /nfs/dbraw/zinc/08/25/12/231082512.db2.gz TWQKOAKPIMAUFE-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173948139 231077974 /nfs/dbraw/zinc/07/79/74/231077974.db2.gz VOFHAQMENDHZBL-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173948139 231077976 /nfs/dbraw/zinc/07/79/76/231077976.db2.gz VOFHAQMENDHZBL-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173948139 231077979 /nfs/dbraw/zinc/07/79/79/231077979.db2.gz VOFHAQMENDHZBL-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173948139 231077982 /nfs/dbraw/zinc/07/79/82/231077982.db2.gz VOFHAQMENDHZBL-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000174159500 231135768 /nfs/dbraw/zinc/13/57/68/231135768.db2.gz QAVPNOFQCBVFFE-CHWSQXEVSA-N 2 2 334.851 3.335 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000174159500 231135772 /nfs/dbraw/zinc/13/57/72/231135772.db2.gz QAVPNOFQCBVFFE-CHWSQXEVSA-N 2 2 334.851 3.335 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cscc1C(F)(F)F ZINC000356112752 282225826 /nfs/dbraw/zinc/22/58/26/282225826.db2.gz PFAUBXONJKDVHF-SNPRPXQTSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cscc1C(F)(F)F ZINC000356112752 282225829 /nfs/dbraw/zinc/22/58/29/282225829.db2.gz PFAUBXONJKDVHF-SNPRPXQTSA-N 2 2 348.434 3.450 20 0 EGADLP Brc1ccc2c(c1)C=C(C[NH2+]CCCn1cc[nH+]c1)CO2 ZINC000102419180 219201984 /nfs/dbraw/zinc/20/19/84/219201984.db2.gz TYEFTTNHHWTMGG-UHFFFAOYSA-N 2 2 348.244 3.101 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000187299104 236171702 /nfs/dbraw/zinc/17/17/02/236171702.db2.gz XIBMSTOLRDDUDM-DQYPLSBCSA-N 2 2 337.826 3.292 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000187299104 236171705 /nfs/dbraw/zinc/17/17/05/236171705.db2.gz XIBMSTOLRDDUDM-DQYPLSBCSA-N 2 2 337.826 3.292 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2sccc2Br)C1 ZINC000563570280 316039545 /nfs/dbraw/zinc/03/95/45/316039545.db2.gz BDULZNVNLWBCMP-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2sccc2Br)C1 ZINC000563570280 316039549 /nfs/dbraw/zinc/03/95/49/316039549.db2.gz BDULZNVNLWBCMP-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570280 316039540 /nfs/dbraw/zinc/03/95/40/316039540.db2.gz BDULZNVNLWBCMP-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1Br ZINC000035046554 213005281 /nfs/dbraw/zinc/00/52/81/213005281.db2.gz GFGZBHVFNFWSMW-LBPRGKRZSA-N 2 2 327.266 3.204 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000034996645 213003969 /nfs/dbraw/zinc/00/39/69/213003969.db2.gz XYCFUVOVARJHGQ-UHFFFAOYSA-N 2 2 349.219 3.234 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838589 239328406 /nfs/dbraw/zinc/32/84/06/239328406.db2.gz KHJUFFGAYROSFL-PXNSSMCTSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838589 239328414 /nfs/dbraw/zinc/32/84/14/239328414.db2.gz KHJUFFGAYROSFL-PXNSSMCTSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418432 243251384 /nfs/dbraw/zinc/25/13/84/243251384.db2.gz SSOYROOVELRDKP-HOTGVXAUSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418432 243251390 /nfs/dbraw/zinc/25/13/90/243251390.db2.gz SSOYROOVELRDKP-HOTGVXAUSA-N 2 2 325.456 3.050 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000111112899 220099747 /nfs/dbraw/zinc/09/97/47/220099747.db2.gz KSIQDTXSDIFMQS-UHFFFAOYSA-N 2 2 346.500 3.055 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000111112899 220099753 /nfs/dbraw/zinc/09/97/53/220099753.db2.gz KSIQDTXSDIFMQS-UHFFFAOYSA-N 2 2 346.500 3.055 20 0 EGADLP C[N@H+](CCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC1 ZINC000265097696 247199923 /nfs/dbraw/zinc/19/99/23/247199923.db2.gz GAXHTUATZRAQOC-UHFFFAOYSA-N 2 2 345.830 3.351 20 0 EGADLP C[N@@H+](CCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC1 ZINC000265097696 247199928 /nfs/dbraw/zinc/19/99/28/247199928.db2.gz GAXHTUATZRAQOC-UHFFFAOYSA-N 2 2 345.830 3.351 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194121759 296243911 /nfs/dbraw/zinc/24/39/11/296243911.db2.gz VBSMDHZVAZUIFB-JOCLIGHLSA-N 2 2 341.499 3.154 20 0 EGADLP Cc1cc([C@](C)(O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)o1 ZINC000266193340 248163610 /nfs/dbraw/zinc/16/36/10/248163610.db2.gz ZFMWVTXRFRXRPA-LJQANCHMSA-N 2 2 325.412 3.079 20 0 EGADLP Cc1cnn(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000377644965 169053955 /nfs/dbraw/zinc/05/39/55/169053955.db2.gz FZEYNWZIMITTOH-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cnn(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000377644965 169053957 /nfs/dbraw/zinc/05/39/57/169053957.db2.gz FZEYNWZIMITTOH-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cnn(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000377644965 169053959 /nfs/dbraw/zinc/05/39/59/169053959.db2.gz FZEYNWZIMITTOH-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cnn(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000377644965 169053961 /nfs/dbraw/zinc/05/39/61/169053961.db2.gz FZEYNWZIMITTOH-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1F ZINC000378372962 169108665 /nfs/dbraw/zinc/10/86/65/169108665.db2.gz SMMRXZHRLLWQHF-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1F ZINC000378372962 169108668 /nfs/dbraw/zinc/10/86/68/169108668.db2.gz SMMRXZHRLLWQHF-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366566 169108167 /nfs/dbraw/zinc/10/81/67/169108167.db2.gz BCTLRWBYOGATRG-KBRIMQKVSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366566 169108168 /nfs/dbraw/zinc/10/81/68/169108168.db2.gz BCTLRWBYOGATRG-KBRIMQKVSA-N 2 2 326.843 3.163 20 0 EGADLP Clc1nc2ccccn2c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066238 218113354 /nfs/dbraw/zinc/11/33/54/218113354.db2.gz DHCZQZXOXXWHOB-GDBMZVCRSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1nc2ccccn2c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066238 218113356 /nfs/dbraw/zinc/11/33/56/218113356.db2.gz DHCZQZXOXXWHOB-GDBMZVCRSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1nc2ccccn2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066238 218113359 /nfs/dbraw/zinc/11/33/59/218113359.db2.gz DHCZQZXOXXWHOB-GDBMZVCRSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1nc2ccccn2c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066238 218113361 /nfs/dbraw/zinc/11/33/61/218113361.db2.gz DHCZQZXOXXWHOB-GDBMZVCRSA-N 2 2 344.890 3.436 20 0 EGADLP CCOc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000092253470 218130611 /nfs/dbraw/zinc/13/06/11/218130611.db2.gz PEOACJHJJDVFHZ-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000092253470 218130612 /nfs/dbraw/zinc/13/06/12/218130612.db2.gz PEOACJHJJDVFHZ-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000092253470 218130613 /nfs/dbraw/zinc/13/06/13/218130613.db2.gz PEOACJHJJDVFHZ-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000092253470 218130615 /nfs/dbraw/zinc/13/06/15/218130615.db2.gz PEOACJHJJDVFHZ-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CC(C)c1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000092821570 218171496 /nfs/dbraw/zinc/17/14/96/218171496.db2.gz AHRHSVMXCCQGHO-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP CC(C)c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000092821570 218171498 /nfs/dbraw/zinc/17/14/98/218171498.db2.gz AHRHSVMXCCQGHO-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP CCOC(=O)[C@@H](C)[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000093301973 218212261 /nfs/dbraw/zinc/21/22/61/218212261.db2.gz VWQCQRAOMISMEO-CQSZACIVSA-N 2 2 329.444 3.187 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)c1OC ZINC000093563762 218233092 /nfs/dbraw/zinc/23/30/92/218233092.db2.gz YFNHQNAPMCSKNI-QGZVFWFLSA-N 2 2 348.487 3.163 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)c1OC ZINC000093563762 218233094 /nfs/dbraw/zinc/23/30/94/218233094.db2.gz YFNHQNAPMCSKNI-QGZVFWFLSA-N 2 2 348.487 3.163 20 0 EGADLP CCCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597908 218234415 /nfs/dbraw/zinc/23/44/15/218234415.db2.gz BAKYFBPDBCMESO-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597908 218234417 /nfs/dbraw/zinc/23/44/17/218234417.db2.gz BAKYFBPDBCMESO-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474142 251090645 /nfs/dbraw/zinc/09/06/45/251090645.db2.gz YTNNZXMEIBDVNW-UONOGXRCSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474142 251090649 /nfs/dbraw/zinc/09/06/49/251090649.db2.gz YTNNZXMEIBDVNW-UONOGXRCSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cn1 ZINC000268785747 252236844 /nfs/dbraw/zinc/23/68/44/252236844.db2.gz KAXGWFSKQSSWPD-AWEZNQCLSA-N 2 2 334.423 3.457 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1C ZINC000268820844 252270445 /nfs/dbraw/zinc/27/04/45/252270445.db2.gz NZTYGEJALKSJMU-MRXNPFEDSA-N 2 2 326.488 3.086 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1Cl ZINC000268830629 252280501 /nfs/dbraw/zinc/28/05/01/252280501.db2.gz KLBHVAUVRRWUDA-LBPRGKRZSA-N 2 2 331.287 3.491 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268879555 252326323 /nfs/dbraw/zinc/32/63/23/252326323.db2.gz RAFCZEXVFLTDBK-FXAWDEMLSA-N 3 2 326.488 3.224 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268879555 252326327 /nfs/dbraw/zinc/32/63/27/252326327.db2.gz RAFCZEXVFLTDBK-FXAWDEMLSA-N 3 2 326.488 3.224 20 0 EGADLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc[nH+]1 ZINC000119648299 221367655 /nfs/dbraw/zinc/36/76/55/221367655.db2.gz CDJAXGLPPIEOCT-UHFFFAOYSA-N 2 2 348.397 3.264 20 0 EGADLP c1cn(C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)c[nH+]1 ZINC000155320625 224396917 /nfs/dbraw/zinc/39/69/17/224396917.db2.gz GWYIUZLDLWVRAL-UHFFFAOYSA-N 2 2 325.441 3.239 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220856 285369694 /nfs/dbraw/zinc/36/96/94/285369694.db2.gz FQVXRXXHSWRKJN-IEBWSBKVSA-N 2 2 331.504 3.233 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220856 285369695 /nfs/dbraw/zinc/36/96/95/285369695.db2.gz FQVXRXXHSWRKJN-IEBWSBKVSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220856 285369696 /nfs/dbraw/zinc/36/96/96/285369696.db2.gz FQVXRXXHSWRKJN-IEBWSBKVSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220856 285369697 /nfs/dbraw/zinc/36/96/97/285369697.db2.gz FQVXRXXHSWRKJN-IEBWSBKVSA-N 2 2 331.504 3.233 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CCC[NH+]1CCCC1 ZINC000187103060 533384473 /nfs/dbraw/zinc/38/44/73/533384473.db2.gz AYTNMCKROFKYAZ-UHFFFAOYSA-N 2 2 327.266 3.033 20 0 EGADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261641580 299627331 /nfs/dbraw/zinc/62/73/31/299627331.db2.gz IRVMTPUKCYTLIY-OCCSQVGLSA-N 2 2 328.287 3.034 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246751513 141031283 /nfs/dbraw/zinc/03/12/83/141031283.db2.gz HEZDLBGGOCXKOC-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246751513 141031284 /nfs/dbraw/zinc/03/12/84/141031284.db2.gz HEZDLBGGOCXKOC-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246751513 141031285 /nfs/dbraw/zinc/03/12/85/141031285.db2.gz HEZDLBGGOCXKOC-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246751513 141031286 /nfs/dbraw/zinc/03/12/86/141031286.db2.gz HEZDLBGGOCXKOC-JKIFEVAISA-N 2 2 335.879 3.083 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000339542343 141128193 /nfs/dbraw/zinc/12/81/93/141128193.db2.gz CEYOCXTVVWEGSK-LJQANCHMSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000339542343 141128195 /nfs/dbraw/zinc/12/81/95/141128195.db2.gz CEYOCXTVVWEGSK-LJQANCHMSA-N 2 2 344.886 3.157 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000341256617 141145297 /nfs/dbraw/zinc/14/52/97/141145297.db2.gz UDLSRWBSWDPDCX-OXJNMPFZSA-N 2 2 334.467 3.358 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000341256617 141145298 /nfs/dbraw/zinc/14/52/98/141145298.db2.gz UDLSRWBSWDPDCX-OXJNMPFZSA-N 2 2 334.467 3.358 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000344477574 141160948 /nfs/dbraw/zinc/16/09/48/141160948.db2.gz HGAHQFWBDBXCGC-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)[C@@H](C)C1 ZINC000344477574 141160951 /nfs/dbraw/zinc/16/09/51/141160951.db2.gz HGAHQFWBDBXCGC-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000344477574 141160953 /nfs/dbraw/zinc/16/09/53/141160953.db2.gz HGAHQFWBDBXCGC-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[C@@H](C)C1 ZINC000344477574 141160955 /nfs/dbraw/zinc/16/09/55/141160955.db2.gz HGAHQFWBDBXCGC-UWJYYQICSA-N 3 2 341.499 3.341 20 0 EGADLP CCn1c2ccccc2c2cc(C[NH2+]CC[N@H+](CC)CCO)ccc21 ZINC000346214892 141182576 /nfs/dbraw/zinc/18/25/76/141182576.db2.gz HGOVYQCJPNWLEF-UHFFFAOYSA-N 2 2 339.483 3.218 20 0 EGADLP CCn1c2ccccc2c2cc(C[NH2+]CC[N@@H+](CC)CCO)ccc21 ZINC000346214892 141182578 /nfs/dbraw/zinc/18/25/78/141182578.db2.gz HGOVYQCJPNWLEF-UHFFFAOYSA-N 2 2 339.483 3.218 20 0 EGADLP C[C@H]([NH2+]Cc1nc2cccnc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923668 141217487 /nfs/dbraw/zinc/21/74/87/141217487.db2.gz DBHDLXLENYCSNT-KBPBESRZSA-N 2 2 330.501 3.434 20 0 EGADLP C[C@H]([NH2+]Cc1nc2cccnc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923668 141217488 /nfs/dbraw/zinc/21/74/88/141217488.db2.gz DBHDLXLENYCSNT-KBPBESRZSA-N 2 2 330.501 3.434 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000348167013 141242786 /nfs/dbraw/zinc/24/27/86/141242786.db2.gz CHWFEGSTPHCYQQ-UHFFFAOYSA-N 2 2 334.414 3.072 20 0 EGADLP CCCCOc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000352931194 141270943 /nfs/dbraw/zinc/27/09/43/141270943.db2.gz NCEQSDYSJULGMB-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000352931194 141270945 /nfs/dbraw/zinc/27/09/45/141270945.db2.gz NCEQSDYSJULGMB-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000352931194 141270947 /nfs/dbraw/zinc/27/09/47/141270947.db2.gz NCEQSDYSJULGMB-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000352931194 141270948 /nfs/dbraw/zinc/27/09/48/141270948.db2.gz NCEQSDYSJULGMB-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833740 141351293 /nfs/dbraw/zinc/35/12/93/141351293.db2.gz BTZYRSMNGGVIDB-CVEARBPZSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833740 141351294 /nfs/dbraw/zinc/35/12/94/141351294.db2.gz BTZYRSMNGGVIDB-CVEARBPZSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1nc(C)c(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000356843919 141353338 /nfs/dbraw/zinc/35/33/38/141353338.db2.gz LWYBVJJBHWZNAU-UHFFFAOYSA-N 2 2 335.439 3.309 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166532050 143990675 /nfs/dbraw/zinc/99/06/75/143990675.db2.gz HTEIGJYUDWYGGG-ZDUSSCGKSA-N 2 2 348.288 3.429 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166532050 143990678 /nfs/dbraw/zinc/99/06/78/143990678.db2.gz HTEIGJYUDWYGGG-ZDUSSCGKSA-N 2 2 348.288 3.429 20 0 EGADLP CCSc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000186191917 144126866 /nfs/dbraw/zinc/12/68/66/144126866.db2.gz OWOOTODWUIONKK-INIZCTEOSA-N 2 2 334.529 3.484 20 0 EGADLP CCSc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000186191917 144126867 /nfs/dbraw/zinc/12/68/67/144126867.db2.gz OWOOTODWUIONKK-INIZCTEOSA-N 2 2 334.529 3.484 20 0 EGADLP CCSc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000186191896 144127234 /nfs/dbraw/zinc/12/72/34/144127234.db2.gz OWOOTODWUIONKK-MRXNPFEDSA-N 2 2 334.529 3.484 20 0 EGADLP CCSc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000186191896 144127236 /nfs/dbraw/zinc/12/72/36/144127236.db2.gz OWOOTODWUIONKK-MRXNPFEDSA-N 2 2 334.529 3.484 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000187308768 144156548 /nfs/dbraw/zinc/15/65/48/144156548.db2.gz SIWASSIVXOSLAV-QRQLOZEOSA-N 2 2 334.891 3.462 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@@H+]1C ZINC000344680337 144209031 /nfs/dbraw/zinc/20/90/31/144209031.db2.gz NFZJZFWCXJHETP-DGCLKSJQSA-N 2 2 340.393 3.164 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@H+]1C ZINC000344680337 144209032 /nfs/dbraw/zinc/20/90/32/144209032.db2.gz NFZJZFWCXJHETP-DGCLKSJQSA-N 2 2 340.393 3.164 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475476 144266438 /nfs/dbraw/zinc/26/64/38/144266438.db2.gz IIVJPMCNQFXECN-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475476 144266439 /nfs/dbraw/zinc/26/64/39/144266439.db2.gz IIVJPMCNQFXECN-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351475476 144266440 /nfs/dbraw/zinc/26/64/40/144266440.db2.gz IIVJPMCNQFXECN-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351475476 144266441 /nfs/dbraw/zinc/26/64/41/144266441.db2.gz IIVJPMCNQFXECN-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]12 ZINC000351495047 144269480 /nfs/dbraw/zinc/26/94/80/144269480.db2.gz OWGKUXWLRWGRBN-KBAYOESNSA-N 2 2 327.497 3.097 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]12 ZINC000351495047 144269481 /nfs/dbraw/zinc/26/94/81/144269481.db2.gz OWGKUXWLRWGRBN-KBAYOESNSA-N 2 2 327.497 3.097 20 0 EGADLP CC(C)COc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351568707 144280905 /nfs/dbraw/zinc/28/09/05/144280905.db2.gz OPOLVZXMEQIBMW-UHFFFAOYSA-N 2 2 336.439 3.395 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572581 144281818 /nfs/dbraw/zinc/28/18/18/144281818.db2.gz FIRNLMDVFKKLSI-GHTZIAJQSA-N 2 2 342.458 3.154 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572581 144281820 /nfs/dbraw/zinc/28/18/20/144281820.db2.gz FIRNLMDVFKKLSI-GHTZIAJQSA-N 2 2 342.458 3.154 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)cc2)cs1 ZINC000351571644 144282067 /nfs/dbraw/zinc/28/20/67/144282067.db2.gz AGWYQICKLBRIEV-SCLBCKFNSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)cc2)cs1 ZINC000351571644 144282068 /nfs/dbraw/zinc/28/20/68/144282068.db2.gz AGWYQICKLBRIEV-SCLBCKFNSA-N 2 2 345.512 3.224 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603456 144286683 /nfs/dbraw/zinc/28/66/83/144286683.db2.gz AGIUEQWJNPHAPG-MSOLQXFVSA-N 2 2 330.497 3.077 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603456 144286686 /nfs/dbraw/zinc/28/66/86/144286686.db2.gz AGIUEQWJNPHAPG-MSOLQXFVSA-N 2 2 330.497 3.077 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1F ZINC000351608533 144287337 /nfs/dbraw/zinc/28/73/37/144287337.db2.gz NRIMOXJYFYCWPA-DJPFJPOOSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1F ZINC000351608533 144287340 /nfs/dbraw/zinc/28/73/40/144287340.db2.gz NRIMOXJYFYCWPA-DJPFJPOOSA-N 2 2 342.458 3.359 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)n21 ZINC000352288336 144323338 /nfs/dbraw/zinc/32/33/38/144323338.db2.gz ZUORDPKMBIOOPY-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)n21 ZINC000352288336 144323340 /nfs/dbraw/zinc/32/33/40/144323340.db2.gz ZUORDPKMBIOOPY-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000363757295 144363019 /nfs/dbraw/zinc/36/30/19/144363019.db2.gz LEMLFZOZEAOARF-ZFWWWQNUSA-N 2 2 344.434 3.215 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000341078286 155144736 /nfs/dbraw/zinc/14/47/36/155144736.db2.gz NBBRNBKOIKOPCQ-IRXDYDNUSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000341078286 155144741 /nfs/dbraw/zinc/14/47/41/155144741.db2.gz NBBRNBKOIKOPCQ-IRXDYDNUSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000341096764 155155184 /nfs/dbraw/zinc/15/51/84/155155184.db2.gz ABKLPMRZBZVPAF-KRWDZBQOSA-N 2 2 328.460 3.157 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000341096764 155155190 /nfs/dbraw/zinc/15/51/90/155155190.db2.gz ABKLPMRZBZVPAF-KRWDZBQOSA-N 2 2 328.460 3.157 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1C ZINC000341126717 155176339 /nfs/dbraw/zinc/17/63/39/155176339.db2.gz MTNSSZKFVKZGPS-UHFFFAOYSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[NH+]2CCC(C)CC2)n1C ZINC000341126717 155176341 /nfs/dbraw/zinc/17/63/41/155176341.db2.gz MTNSSZKFVKZGPS-UHFFFAOYSA-N 2 2 326.488 3.250 20 0 EGADLP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341388016 155263247 /nfs/dbraw/zinc/26/32/47/155263247.db2.gz OGUKTAKVTVGLIE-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1cc(NC2CC[NH+](Cc3ccccc3C)CC2)nc(C2CC2)[nH+]1 ZINC000341460303 155304260 /nfs/dbraw/zinc/30/42/60/155304260.db2.gz AIEBZGDRZYDFSD-UHFFFAOYSA-N 2 2 336.483 3.469 20 0 EGADLP Cc1ccc([C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000117769970 152114962 /nfs/dbraw/zinc/11/49/62/152114962.db2.gz WQQBNZITHFTUNP-FQEVSTJZSA-N 2 2 348.450 3.213 20 0 EGADLP Cc1cccc(C)c1CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119487894 152208840 /nfs/dbraw/zinc/20/88/40/152208840.db2.gz YUQFTHUWOMTXLI-UHFFFAOYSA-N 2 2 344.422 3.482 20 0 EGADLP CCc1ccccc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119581002 152214459 /nfs/dbraw/zinc/21/44/59/152214459.db2.gz ATZXVIFBKNDABT-UHFFFAOYSA-N 2 2 330.395 3.385 20 0 EGADLP Cc1ccn2c(CN3CC[NH+](Cc4cccs4)CC3)c[nH+]c2c1 ZINC000119894078 152236982 /nfs/dbraw/zinc/23/69/82/152236982.db2.gz DWAXJVAFDLMPNF-UHFFFAOYSA-N 2 2 326.469 3.022 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000119903829 152237054 /nfs/dbraw/zinc/23/70/54/152237054.db2.gz NYBGEESHADBESW-ZNMIVQPWSA-N 2 2 342.430 3.438 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000119903829 152237056 /nfs/dbraw/zinc/23/70/56/152237056.db2.gz NYBGEESHADBESW-ZNMIVQPWSA-N 2 2 342.430 3.438 20 0 EGADLP Brc1cncc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000341541481 155343930 /nfs/dbraw/zinc/34/39/30/155343930.db2.gz DTNWUTDFPDBBDD-UHFFFAOYSA-N 2 2 343.228 3.320 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1OC(F)F ZINC000303217904 154039769 /nfs/dbraw/zinc/03/97/69/154039769.db2.gz GFWGYNDBOIHQMU-HUUCEWRRSA-N 2 2 342.430 3.031 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000303991238 154063267 /nfs/dbraw/zinc/06/32/67/154063267.db2.gz XTXZZDSZPJXTLX-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000303991238 154063270 /nfs/dbraw/zinc/06/32/70/154063270.db2.gz XTXZZDSZPJXTLX-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2cccs2)C1 ZINC000304945987 154078071 /nfs/dbraw/zinc/07/80/71/154078071.db2.gz CZUKXYVRDAUXIR-SUMDDJOVSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2cccs2)C1 ZINC000304945987 154078077 /nfs/dbraw/zinc/07/80/77/154078077.db2.gz CZUKXYVRDAUXIR-SUMDDJOVSA-N 2 2 330.497 3.381 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)oc21 ZINC000305799507 154130628 /nfs/dbraw/zinc/13/06/28/154130628.db2.gz WUKFWQGKVNQCRB-OAHLLOKOSA-N 2 2 346.471 3.329 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000336813854 154213622 /nfs/dbraw/zinc/21/36/22/154213622.db2.gz VRMUAAXNWOLQNL-WCQYABFASA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000336813854 154213623 /nfs/dbraw/zinc/21/36/23/154213623.db2.gz VRMUAAXNWOLQNL-WCQYABFASA-N 2 2 327.266 3.030 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]c2cccc(F)c2n1C ZINC000336917396 154238627 /nfs/dbraw/zinc/23/86/27/154238627.db2.gz CYMQJNQHULTFIZ-UHFFFAOYSA-N 2 2 329.423 3.388 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1OC ZINC000337380569 154321149 /nfs/dbraw/zinc/32/11/49/154321149.db2.gz JACDYGAKDPUZFB-HOTGVXAUSA-N 2 2 343.471 3.307 20 0 EGADLP COc1sc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000346814743 156148275 /nfs/dbraw/zinc/14/82/75/156148275.db2.gz CKJYTRCAVZSHII-XHVZSJERSA-N 2 2 345.306 3.078 20 0 EGADLP COc1sc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000346814743 156148277 /nfs/dbraw/zinc/14/82/77/156148277.db2.gz CKJYTRCAVZSHII-XHVZSJERSA-N 2 2 345.306 3.078 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994027 156235059 /nfs/dbraw/zinc/23/50/59/156235059.db2.gz BCEXEGLFDRTPGV-LSDHHAIUSA-N 2 2 331.485 3.281 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994027 156235063 /nfs/dbraw/zinc/23/50/63/156235063.db2.gz BCEXEGLFDRTPGV-LSDHHAIUSA-N 2 2 331.485 3.281 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347014849 156249367 /nfs/dbraw/zinc/24/93/67/156249367.db2.gz ABSVEXAZBKJLIW-ZDUSSCGKSA-N 2 2 334.357 3.198 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347014849 156249370 /nfs/dbraw/zinc/24/93/70/156249370.db2.gz ABSVEXAZBKJLIW-ZDUSSCGKSA-N 2 2 334.357 3.198 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017841 156252150 /nfs/dbraw/zinc/25/21/50/156252150.db2.gz KOZKBPFBQDHBAY-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017841 156252153 /nfs/dbraw/zinc/25/21/53/156252153.db2.gz KOZKBPFBQDHBAY-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000349144076 156367247 /nfs/dbraw/zinc/36/72/47/156367247.db2.gz CDEDKMFGWSPDOE-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000349144076 156367250 /nfs/dbraw/zinc/36/72/50/156367250.db2.gz CDEDKMFGWSPDOE-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000372765629 157379099 /nfs/dbraw/zinc/37/90/99/157379099.db2.gz BMFDEXNJYOSJDR-ALOPSCKCSA-N 2 2 337.423 3.358 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093563604 162014724 /nfs/dbraw/zinc/01/47/24/162014724.db2.gz HBYHHDHLNWHKON-INIZCTEOSA-N 2 2 336.549 3.440 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000093563604 162014726 /nfs/dbraw/zinc/01/47/26/162014726.db2.gz HBYHHDHLNWHKON-INIZCTEOSA-N 2 2 336.549 3.440 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796654 162112801 /nfs/dbraw/zinc/11/28/01/162112801.db2.gz UUZQLSUGBAHYKP-UHFFFAOYSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000125969979 162291175 /nfs/dbraw/zinc/29/11/75/162291175.db2.gz SZYAFEFTXKDPKB-DYXWJJEUSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000125969979 162291178 /nfs/dbraw/zinc/29/11/78/162291178.db2.gz SZYAFEFTXKDPKB-DYXWJJEUSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000125969979 162291180 /nfs/dbraw/zinc/29/11/80/162291180.db2.gz SZYAFEFTXKDPKB-DYXWJJEUSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000125969979 162291183 /nfs/dbraw/zinc/29/11/83/162291183.db2.gz SZYAFEFTXKDPKB-DYXWJJEUSA-N 3 2 344.547 3.002 20 0 EGADLP COc1ccc(CC[C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1OC ZINC000131028166 162387957 /nfs/dbraw/zinc/38/79/57/162387957.db2.gz IZMVPKWQDYWZEG-GOSISDBHSA-N 2 2 343.471 3.388 20 0 EGADLP COc1ccc(CC[C@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1OC ZINC000131028166 162387960 /nfs/dbraw/zinc/38/79/60/162387960.db2.gz IZMVPKWQDYWZEG-GOSISDBHSA-N 2 2 343.471 3.388 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000248573374 163016618 /nfs/dbraw/zinc/01/66/18/163016618.db2.gz SBPFPASRIAHJMT-IEBWSBKVSA-N 2 2 331.504 3.231 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000248573374 163016621 /nfs/dbraw/zinc/01/66/21/163016621.db2.gz SBPFPASRIAHJMT-IEBWSBKVSA-N 2 2 331.504 3.231 20 0 EGADLP O[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000305110265 163074927 /nfs/dbraw/zinc/07/49/27/163074927.db2.gz CQFKJQFKFOPMDI-YJBOKZPZSA-N 2 2 336.907 3.445 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337194137 163159392 /nfs/dbraw/zinc/15/93/92/163159392.db2.gz AAXTVEGVXXXPEE-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337194137 163159394 /nfs/dbraw/zinc/15/93/94/163159394.db2.gz AAXTVEGVXXXPEE-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337201528 163161904 /nfs/dbraw/zinc/16/19/04/163161904.db2.gz DBCXYCYPLPJBJG-OAHLLOKOSA-N 2 2 335.517 3.153 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337201528 163161906 /nfs/dbraw/zinc/16/19/06/163161906.db2.gz DBCXYCYPLPJBJG-OAHLLOKOSA-N 2 2 335.517 3.153 20 0 EGADLP CCc1oc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)cc1C(=O)OC ZINC000338939375 163394068 /nfs/dbraw/zinc/39/40/68/163394068.db2.gz KBFXQZYONKZWEG-UHFFFAOYSA-N 2 2 348.418 3.119 20 0 EGADLP CCc1oc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938042 163394225 /nfs/dbraw/zinc/39/42/25/163394225.db2.gz ULYZVOGMVBBXNT-LSDHHAIUSA-N 2 2 348.487 3.371 20 0 EGADLP CCc1oc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938042 163394228 /nfs/dbraw/zinc/39/42/28/163394228.db2.gz ULYZVOGMVBBXNT-LSDHHAIUSA-N 2 2 348.487 3.371 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)s2)cn1 ZINC000338945505 163397616 /nfs/dbraw/zinc/39/76/16/163397616.db2.gz RSDUAOFKOZGEDQ-INIZCTEOSA-N 2 2 340.452 3.197 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)s2)cn1 ZINC000338945505 163397617 /nfs/dbraw/zinc/39/76/17/163397617.db2.gz RSDUAOFKOZGEDQ-INIZCTEOSA-N 2 2 340.452 3.197 20 0 EGADLP [NH3+]C1(CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CCC1 ZINC000342610691 163923337 /nfs/dbraw/zinc/92/33/37/163923337.db2.gz UTEAARQMHVTPLV-UHFFFAOYSA-N 2 2 331.803 3.139 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000343812005 164040424 /nfs/dbraw/zinc/04/04/24/164040424.db2.gz JVMKEEFDVHNJAR-CQSZACIVSA-N 2 2 343.862 3.457 20 0 EGADLP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)ccc1F ZINC000344042252 164089450 /nfs/dbraw/zinc/08/94/50/164089450.db2.gz JUICDYLJVMFBCO-ZDUSSCGKSA-N 2 2 335.398 3.151 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C12CCCCC2 ZINC000344068727 164095386 /nfs/dbraw/zinc/09/53/86/164095386.db2.gz HTEBZJDJKHOQMJ-BBWFWOEESA-N 2 2 326.550 3.141 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc3c(s1)C[C@@H](C)CC3)CCC2 ZINC000345835290 164275322 /nfs/dbraw/zinc/27/53/22/164275322.db2.gz CTBZXPOUDRGMIC-JSGCOSHPSA-N 2 2 330.501 3.440 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306458 164366613 /nfs/dbraw/zinc/36/66/13/164366613.db2.gz DSCPYPKZXQVNDR-VQIMIIECSA-N 2 2 338.455 3.185 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306458 164366614 /nfs/dbraw/zinc/36/66/14/164366614.db2.gz DSCPYPKZXQVNDR-VQIMIIECSA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306458 164366615 /nfs/dbraw/zinc/36/66/15/164366615.db2.gz DSCPYPKZXQVNDR-VQIMIIECSA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306458 164366616 /nfs/dbraw/zinc/36/66/16/164366616.db2.gz DSCPYPKZXQVNDR-VQIMIIECSA-N 2 2 338.455 3.185 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000346502549 164387527 /nfs/dbraw/zinc/38/75/27/164387527.db2.gz MZKUZWNNQCPKLK-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000346502549 164387529 /nfs/dbraw/zinc/38/75/29/164387529.db2.gz MZKUZWNNQCPKLK-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346556606 164396489 /nfs/dbraw/zinc/39/64/89/164396489.db2.gz LTIJSGQPCXDPER-YQVWRLOYSA-N 2 2 328.435 3.168 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC1CCOCC1 ZINC000348188719 164653949 /nfs/dbraw/zinc/65/39/49/164653949.db2.gz UJGHSBJKBKRJGF-KRWDZBQOSA-N 2 2 327.472 3.474 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@]3([NH+](C)C)CCC[C@H](C)C3)cc2n1C ZINC000354972866 166076694 /nfs/dbraw/zinc/07/66/94/166076694.db2.gz ARWQKOKHARAUQA-XOBRGWDASA-N 2 2 342.487 3.122 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000352091013 165229822 /nfs/dbraw/zinc/22/98/22/165229822.db2.gz CPKXCLQCWBNEHF-WIYYLYMNSA-N 2 2 338.451 3.035 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000352091013 165229823 /nfs/dbraw/zinc/22/98/23/165229823.db2.gz CPKXCLQCWBNEHF-WIYYLYMNSA-N 2 2 338.451 3.035 20 0 EGADLP COc1ccc([C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C2CC2)cc1 ZINC000352240842 165303876 /nfs/dbraw/zinc/30/38/76/165303876.db2.gz JNLMDURTZMDNFN-GOSISDBHSA-N 2 2 331.485 3.454 20 0 EGADLP Cc1nc2ccccn2c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352365862 165365636 /nfs/dbraw/zinc/36/56/36/165365636.db2.gz XZBMJYCFXOSXCL-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)sc2c1 ZINC000355727496 166292080 /nfs/dbraw/zinc/29/20/80/166292080.db2.gz BHJOFCBTPSFICI-OAHLLOKOSA-N 2 2 345.512 3.469 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)sc2c1 ZINC000355727496 166292081 /nfs/dbraw/zinc/29/20/81/166292081.db2.gz BHJOFCBTPSFICI-OAHLLOKOSA-N 2 2 345.512 3.469 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)sc2c1 ZINC000355727496 166292083 /nfs/dbraw/zinc/29/20/83/166292083.db2.gz BHJOFCBTPSFICI-OAHLLOKOSA-N 2 2 345.512 3.469 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)sc2c1 ZINC000355727496 166292084 /nfs/dbraw/zinc/29/20/84/166292084.db2.gz BHJOFCBTPSFICI-OAHLLOKOSA-N 2 2 345.512 3.469 20 0 EGADLP CC[C@@H](C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000355963088 166360499 /nfs/dbraw/zinc/36/04/99/166360499.db2.gz UGKBIDOEIXHUPP-IRXDYDNUSA-N 2 2 328.460 3.134 20 0 EGADLP CC[C@@H](C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963088 166360505 /nfs/dbraw/zinc/36/05/05/166360505.db2.gz UGKBIDOEIXHUPP-IRXDYDNUSA-N 2 2 328.460 3.134 20 0 EGADLP Cc1cccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000358087748 166831079 /nfs/dbraw/zinc/83/10/79/166831079.db2.gz PQWCDMNMBFIVAO-UHFFFAOYSA-N 2 2 325.456 3.023 20 0 EGADLP c1ccc(C[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2cccnc2)nc1 ZINC000359068793 167057417 /nfs/dbraw/zinc/05/74/17/167057417.db2.gz GIMIHHQLMHLGSP-XVAXZDLZSA-N 2 2 336.483 3.367 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000361236703 167564842 /nfs/dbraw/zinc/56/48/42/167564842.db2.gz LHTIZVUKTGKMRW-GOSISDBHSA-N 2 2 336.520 3.497 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c2ccccc2C1 ZINC000365800950 168045022 /nfs/dbraw/zinc/04/50/22/168045022.db2.gz ZOCWGDUNEDFAPY-TZIWHRDSSA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c2ccccc2C1 ZINC000365800950 168045023 /nfs/dbraw/zinc/04/50/23/168045023.db2.gz ZOCWGDUNEDFAPY-TZIWHRDSSA-N 2 2 341.499 3.086 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000366082989 168081107 /nfs/dbraw/zinc/08/11/07/168081107.db2.gz BWFFKBYYLZBHID-MISYRCLQSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1[NH+](C)CCCC1(C)C ZINC000366082989 168081109 /nfs/dbraw/zinc/08/11/09/168081109.db2.gz BWFFKBYYLZBHID-MISYRCLQSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000366082989 168081110 /nfs/dbraw/zinc/08/11/10/168081110.db2.gz BWFFKBYYLZBHID-MISYRCLQSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000366082989 168081111 /nfs/dbraw/zinc/08/11/11/168081111.db2.gz BWFFKBYYLZBHID-MISYRCLQSA-N 2 2 344.547 3.002 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096277 /nfs/dbraw/zinc/09/62/77/168096277.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096280 /nfs/dbraw/zinc/09/62/80/168096280.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096283 /nfs/dbraw/zinc/09/62/83/168096283.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000366224896 168096284 /nfs/dbraw/zinc/09/62/84/168096284.db2.gz ZEXQDWPURNAUJK-TYPHKJRUSA-N 3 2 329.532 3.219 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000367435979 168225266 /nfs/dbraw/zinc/22/52/66/168225266.db2.gz DGOZZVMUYCGSAL-MRXNPFEDSA-N 2 2 327.428 3.014 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490801 168233479 /nfs/dbraw/zinc/23/34/79/168233479.db2.gz PNOPKVBXKOTKBO-WWGRRREGSA-N 2 2 326.843 3.383 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490801 168233480 /nfs/dbraw/zinc/23/34/80/168233480.db2.gz PNOPKVBXKOTKBO-WWGRRREGSA-N 2 2 326.843 3.383 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490800 168233569 /nfs/dbraw/zinc/23/35/69/168233569.db2.gz PNOPKVBXKOTKBO-IOASZLSFSA-N 2 2 326.843 3.383 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1F ZINC000367490800 168233571 /nfs/dbraw/zinc/23/35/71/168233571.db2.gz PNOPKVBXKOTKBO-IOASZLSFSA-N 2 2 326.843 3.383 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367699250 168259925 /nfs/dbraw/zinc/25/99/25/168259925.db2.gz GYAJAYIRSBDSSG-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000367699250 168259928 /nfs/dbraw/zinc/25/99/28/168259928.db2.gz GYAJAYIRSBDSSG-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP CC(C)n1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967108 168290570 /nfs/dbraw/zinc/29/05/70/168290570.db2.gz SYQNJDFTKJJUMP-RTWAWAEBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967108 168290572 /nfs/dbraw/zinc/29/05/72/168290572.db2.gz SYQNJDFTKJJUMP-RTWAWAEBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967108 168290574 /nfs/dbraw/zinc/29/05/74/168290574.db2.gz SYQNJDFTKJJUMP-RTWAWAEBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967108 168290575 /nfs/dbraw/zinc/29/05/75/168290575.db2.gz SYQNJDFTKJJUMP-RTWAWAEBSA-N 2 2 338.499 3.418 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc(OC)c1OC ZINC000163813132 226018581 /nfs/dbraw/zinc/01/85/81/226018581.db2.gz QMKRFRUPPFYUMC-AWEZNQCLSA-N 2 2 345.443 3.260 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000122872967 222174373 /nfs/dbraw/zinc/17/43/73/222174373.db2.gz VRAPMNMHTXJCBZ-MAUKXSAKSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000122872967 222174375 /nfs/dbraw/zinc/17/43/75/222174375.db2.gz VRAPMNMHTXJCBZ-MAUKXSAKSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(F)c1 ZINC000173947312 265014166 /nfs/dbraw/zinc/01/41/66/265014166.db2.gz VQQLNJNVUKRVEB-CVEARBPZSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(F)c1 ZINC000173947312 265014168 /nfs/dbraw/zinc/01/41/68/265014168.db2.gz VQQLNJNVUKRVEB-CVEARBPZSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000173947312 265014170 /nfs/dbraw/zinc/01/41/70/265014170.db2.gz VQQLNJNVUKRVEB-CVEARBPZSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(F)c1 ZINC000173947312 265014179 /nfs/dbraw/zinc/01/41/79/265014179.db2.gz VQQLNJNVUKRVEB-CVEARBPZSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCc3cccs3)c2cc1C ZINC000174156741 265028218 /nfs/dbraw/zinc/02/82/18/265028218.db2.gz GIQUJMIFKGLXGD-MRXNPFEDSA-N 2 2 343.496 3.250 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCc3cccs3)c2cc1C ZINC000174156741 265028219 /nfs/dbraw/zinc/02/82/19/265028219.db2.gz GIQUJMIFKGLXGD-MRXNPFEDSA-N 2 2 343.496 3.250 20 0 EGADLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000177357923 265249160 /nfs/dbraw/zinc/24/91/60/265249160.db2.gz ZOKKCWANAYENAK-UTKZUKDTSA-N 2 2 342.458 3.473 20 0 EGADLP CC(C)(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000193996309 266082942 /nfs/dbraw/zinc/08/29/42/266082942.db2.gz VBBOAOTVAZSFGQ-HSALFYBXSA-N 2 2 340.511 3.371 20 0 EGADLP CC(C)(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000193996309 266082948 /nfs/dbraw/zinc/08/29/48/266082948.db2.gz VBBOAOTVAZSFGQ-HSALFYBXSA-N 2 2 340.511 3.371 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCCC(C)C ZINC000194534876 266126247 /nfs/dbraw/zinc/12/62/47/266126247.db2.gz HOQPRXQIUKPUDJ-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCCC(C)C ZINC000194534876 266126249 /nfs/dbraw/zinc/12/62/49/266126249.db2.gz HOQPRXQIUKPUDJ-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OCCC(C)C ZINC000194534876 266126252 /nfs/dbraw/zinc/12/62/52/266126252.db2.gz HOQPRXQIUKPUDJ-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OCCC(C)C ZINC000194534876 266126258 /nfs/dbraw/zinc/12/62/58/266126258.db2.gz HOQPRXQIUKPUDJ-HDICACEKSA-N 2 2 332.488 3.114 20 0 EGADLP Clc1cc(Cl)cc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000194551582 266126623 /nfs/dbraw/zinc/12/66/23/266126623.db2.gz MMEFWQAHJMXLRL-HNNXBMFYSA-N 2 2 343.298 3.190 20 0 EGADLP Clc1cc(Cl)cc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000194551582 266126624 /nfs/dbraw/zinc/12/66/24/266126624.db2.gz MMEFWQAHJMXLRL-HNNXBMFYSA-N 2 2 343.298 3.190 20 0 EGADLP CC[N@H+](CC[NH2+][C@H](C)Cc1ccc(Br)cc1)C1CC1 ZINC000233443224 266207193 /nfs/dbraw/zinc/20/71/93/266207193.db2.gz OZSSAKAXBGBXSA-CYBMUJFWSA-N 2 2 325.294 3.454 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H](C)Cc1ccc(Br)cc1)C1CC1 ZINC000233443224 266207199 /nfs/dbraw/zinc/20/71/99/266207199.db2.gz OZSSAKAXBGBXSA-CYBMUJFWSA-N 2 2 325.294 3.454 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000237760133 266243067 /nfs/dbraw/zinc/24/30/67/266243067.db2.gz MCERFXFNTZMVNG-IAGOWNOFSA-N 2 2 342.487 3.149 20 0 EGADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncc(F)cn3)cc2)CC1 ZINC000269463187 266298630 /nfs/dbraw/zinc/29/86/30/266298630.db2.gz HJJBOKRNPBFXDU-UHFFFAOYSA-N 2 2 329.423 3.137 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890586 267134134 /nfs/dbraw/zinc/13/41/34/267134134.db2.gz TVVFHMXRPZNRLW-MNOVXSKESA-N 2 2 342.256 3.118 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)ncc1F ZINC000273890586 267134136 /nfs/dbraw/zinc/13/41/36/267134136.db2.gz TVVFHMXRPZNRLW-MNOVXSKESA-N 2 2 342.256 3.118 20 0 EGADLP CCn1nc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000274392532 267228666 /nfs/dbraw/zinc/22/86/66/267228666.db2.gz CRRKQDPHPPFKLO-UHFFFAOYSA-N 2 2 349.482 3.205 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CCc1cc[nH+]cc1C ZINC000274759620 267282255 /nfs/dbraw/zinc/28/22/55/267282255.db2.gz GOXKUJKXJHHPDU-UHFFFAOYSA-N 2 2 335.245 3.493 20 0 EGADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000275108114 267319418 /nfs/dbraw/zinc/31/94/18/267319418.db2.gz FJYHYLDVHMRMBJ-LRDDRELGSA-N 2 2 345.830 3.255 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cc(O)cc(F)c3)C1)CCCC2 ZINC000275629252 267394304 /nfs/dbraw/zinc/39/43/04/267394304.db2.gz MUIBSEYWYFHMRO-MRXNPFEDSA-N 2 2 329.419 3.362 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc(O)cc(F)c3)C1)CCCC2 ZINC000275629252 267394307 /nfs/dbraw/zinc/39/43/07/267394307.db2.gz MUIBSEYWYFHMRO-MRXNPFEDSA-N 2 2 329.419 3.362 20 0 EGADLP C[NH+](C)C1(CNC2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000275635109 267396508 /nfs/dbraw/zinc/39/65/08/267396508.db2.gz BWLZCMNGKAPVTE-UHFFFAOYSA-N 2 2 335.923 3.378 20 0 EGADLP CCO[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000278559126 268039201 /nfs/dbraw/zinc/03/92/01/268039201.db2.gz WKYPCNJPZFPYMT-LJQANCHMSA-N 2 2 325.456 3.418 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000123362172 274120603 /nfs/dbraw/zinc/12/06/03/274120603.db2.gz LYPFWOHWRHGJJX-RRFJBIMHSA-N 2 2 339.483 3.249 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)CC3 ZINC000123362172 274120604 /nfs/dbraw/zinc/12/06/04/274120604.db2.gz LYPFWOHWRHGJJX-RRFJBIMHSA-N 2 2 339.483 3.249 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054770 275223254 /nfs/dbraw/zinc/22/32/54/275223254.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 3 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054770 275223256 /nfs/dbraw/zinc/22/32/56/275223256.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 3 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054770 275223257 /nfs/dbraw/zinc/22/32/57/275223257.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 3 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054770 275223259 /nfs/dbraw/zinc/22/32/59/275223259.db2.gz FSSYRCQZHHOKQJ-GOSISDBHSA-N 3 2 326.488 3.344 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000269389640 275236345 /nfs/dbraw/zinc/23/63/45/275236345.db2.gz CCPYANIVGKTUMK-MRXNPFEDSA-N 2 2 344.528 3.314 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000278640946 275261647 /nfs/dbraw/zinc/26/16/47/275261647.db2.gz OZUVPEDXHMGBCA-CQSZACIVSA-N 2 2 344.411 3.374 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C ZINC000278977319 275292795 /nfs/dbraw/zinc/29/27/95/275292795.db2.gz OHEMXHVWQWKIKQ-QOKNQOGYSA-N 2 2 329.444 3.308 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000279003151 275295248 /nfs/dbraw/zinc/29/52/48/275295248.db2.gz RKXHNLYVXWJAMF-UHFFFAOYSA-N 2 2 349.360 3.174 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279248595 275316147 /nfs/dbraw/zinc/31/61/47/275316147.db2.gz SPOCNTFZEDDTOG-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279248595 275316148 /nfs/dbraw/zinc/31/61/48/275316148.db2.gz SPOCNTFZEDDTOG-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000279806409 275361341 /nfs/dbraw/zinc/36/13/41/275361341.db2.gz NHMASCKTRXPHGN-IBGZPJMESA-N 2 2 342.487 3.094 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@@H]1C ZINC000280013134 275391329 /nfs/dbraw/zinc/39/13/29/275391329.db2.gz SPGKVASOBUOYRW-ILXRZTDVSA-N 2 2 329.444 3.063 20 0 EGADLP Cc1noc(CCC[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000280125787 275409025 /nfs/dbraw/zinc/40/90/25/275409025.db2.gz AJGUIAWZNNLNBA-UHFFFAOYSA-N 2 2 339.443 3.306 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000280270990 275430219 /nfs/dbraw/zinc/43/02/19/275430219.db2.gz QYVMBEAAKGFFCX-HNNXBMFYSA-N 2 2 342.487 3.142 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000286978323 276065763 /nfs/dbraw/zinc/06/57/63/276065763.db2.gz IWFXWFWQCFPSOQ-QRFRQXIXSA-N 2 2 333.520 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000286978323 276065766 /nfs/dbraw/zinc/06/57/66/276065766.db2.gz IWFXWFWQCFPSOQ-QRFRQXIXSA-N 2 2 333.520 3.149 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000287455766 276121078 /nfs/dbraw/zinc/12/10/78/276121078.db2.gz IJLDAKNIEUALFW-OAHLLOKOSA-N 2 2 338.455 3.267 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000287455766 276121079 /nfs/dbraw/zinc/12/10/79/276121079.db2.gz IJLDAKNIEUALFW-OAHLLOKOSA-N 2 2 338.455 3.267 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000287492740 276124706 /nfs/dbraw/zinc/12/47/06/276124706.db2.gz KYEVOQVGGUNOTL-DOTOQJQBSA-N 2 2 328.460 3.179 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287492740 276124707 /nfs/dbraw/zinc/12/47/07/276124707.db2.gz KYEVOQVGGUNOTL-DOTOQJQBSA-N 2 2 328.460 3.179 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287577442 276135475 /nfs/dbraw/zinc/13/54/75/276135475.db2.gz HCPRRBBFTDRIAN-IWCQGFGOSA-N 2 2 342.405 3.206 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287577442 276135477 /nfs/dbraw/zinc/13/54/77/276135477.db2.gz HCPRRBBFTDRIAN-IWCQGFGOSA-N 2 2 342.405 3.206 20 0 EGADLP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000287581698 276136044 /nfs/dbraw/zinc/13/60/44/276136044.db2.gz QVCPAIWNVWTZFU-UHFFFAOYSA-N 2 2 338.455 3.357 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287821303 276160432 /nfs/dbraw/zinc/16/04/32/276160432.db2.gz VFBSPALAYIEQDL-UKMLZYKCSA-N 2 2 330.394 3.377 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845837 276162814 /nfs/dbraw/zinc/16/28/14/276162814.db2.gz WMBXPCLXFNNEDO-MLGOLLRUSA-N 2 2 326.843 3.241 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845837 276162815 /nfs/dbraw/zinc/16/28/15/276162815.db2.gz WMBXPCLXFNNEDO-MLGOLLRUSA-N 2 2 326.843 3.241 20 0 EGADLP COc1ccccc1N1CC[C@@H](C[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000289221276 276306427 /nfs/dbraw/zinc/30/64/27/276306427.db2.gz JICYTSSMCQLDME-SFHVURJKSA-N 2 2 339.483 3.447 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000289296574 276317818 /nfs/dbraw/zinc/31/78/18/276317818.db2.gz QIOPGDQELIJZFT-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000348305824 276334058 /nfs/dbraw/zinc/33/40/58/276334058.db2.gz APURUGRZDZXOKM-CABCVRRESA-N 2 2 346.441 3.436 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000289498812 276348491 /nfs/dbraw/zinc/34/84/91/276348491.db2.gz ZVUUNSRQYQYTID-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP Oc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(C(F)(F)F)c1 ZINC000289818117 276400198 /nfs/dbraw/zinc/40/01/98/276400198.db2.gz JDHYRSOZIHDLFH-UHFFFAOYSA-N 2 2 328.378 3.375 20 0 EGADLP CC(C)(C)[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000188170836 277152324 /nfs/dbraw/zinc/15/23/24/277152324.db2.gz TVHKBSWMIPZVII-KRWDZBQOSA-N 2 2 330.451 3.491 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccsc2S1 ZINC000151279247 279968311 /nfs/dbraw/zinc/96/83/11/279968311.db2.gz CIRQKLDPRDYENX-KCQAQPDRSA-N 2 2 326.531 3.110 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000369700873 288738341 /nfs/dbraw/zinc/73/83/41/288738341.db2.gz CFFGXJPQRUDVCG-QGZVFWFLSA-N 2 2 347.507 3.016 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246990733 289346905 /nfs/dbraw/zinc/34/69/05/289346905.db2.gz OFHCFSGTMJOIHE-KZNAEPCWSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246990733 289346907 /nfs/dbraw/zinc/34/69/07/289346907.db2.gz OFHCFSGTMJOIHE-KZNAEPCWSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246990733 289346911 /nfs/dbraw/zinc/34/69/11/289346911.db2.gz OFHCFSGTMJOIHE-KZNAEPCWSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246990733 289346912 /nfs/dbraw/zinc/34/69/12/289346912.db2.gz OFHCFSGTMJOIHE-KZNAEPCWSA-N 2 2 335.536 3.020 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000178657949 295304350 /nfs/dbraw/zinc/30/43/50/295304350.db2.gz NKOVSHURAVMNMK-ZIAGYGMSSA-N 2 2 326.444 3.219 20 0 EGADLP Cc1cccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccccc3F)n21 ZINC000348893767 302071015 /nfs/dbraw/zinc/07/10/15/302071015.db2.gz MHNIFUTWXXRVLJ-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C1 ZINC000343438767 302244427 /nfs/dbraw/zinc/24/44/27/302244427.db2.gz FXVTXAKDTPDOPD-QRVBRYPASA-N 2 2 331.504 3.117 20 0 EGADLP CSc1cc2c(cc1C[NH2+][C@H](C[NH3+])C1CCCCC1)OCCO2 ZINC000414855855 309105807 /nfs/dbraw/zinc/10/58/07/309105807.db2.gz XOKVUMUEAAPGHB-OAHLLOKOSA-N 2 2 336.501 3.177 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000065746521 307359970 /nfs/dbraw/zinc/35/99/70/307359970.db2.gz ZPPSSAQJAKMGOE-UHFFFAOYSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072718158 307381581 /nfs/dbraw/zinc/38/15/81/307381581.db2.gz JCLMODVSWRPROC-DLBZAZTESA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000072718158 307381583 /nfs/dbraw/zinc/38/15/83/307381583.db2.gz JCLMODVSWRPROC-DLBZAZTESA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414066675 309058651 /nfs/dbraw/zinc/05/86/51/309058651.db2.gz IJFIEFCXQVAMGV-QGZVFWFLSA-N 2 2 338.499 3.453 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000414127301 309062502 /nfs/dbraw/zinc/06/25/02/309062502.db2.gz FVBXBKNHCLSSKP-FTRWYGJKSA-N 2 2 327.472 3.302 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000134022759 307680586 /nfs/dbraw/zinc/68/05/86/307680586.db2.gz RNFYECFEHMXGQC-GOSISDBHSA-N 2 2 339.474 3.389 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000414287486 309070673 /nfs/dbraw/zinc/07/06/73/309070673.db2.gz KLZXBKYZFAOWIZ-BSIFCXSSSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000414287486 309070674 /nfs/dbraw/zinc/07/06/74/309070674.db2.gz KLZXBKYZFAOWIZ-BSIFCXSSSA-N 2 2 342.458 3.154 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000414303113 309071613 /nfs/dbraw/zinc/07/16/13/309071613.db2.gz CTEVLSHBWAHIBL-CQSZACIVSA-N 2 2 346.475 3.134 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)n1C ZINC000414314490 309072275 /nfs/dbraw/zinc/07/22/75/309072275.db2.gz ZXCSLAOOWRPBGN-UHFFFAOYSA-N 2 2 340.393 3.227 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1C ZINC000414317801 309072661 /nfs/dbraw/zinc/07/26/61/309072661.db2.gz WLGDUVGZZFAZKA-IAGOWNOFSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1C ZINC000414325701 309073073 /nfs/dbraw/zinc/07/30/73/309073073.db2.gz KXMHVIFRPMQRRI-UHFFFAOYSA-N 2 2 325.460 3.182 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000414363351 309075393 /nfs/dbraw/zinc/07/53/93/309075393.db2.gz XTMOFZRAYSCFFU-AWEZNQCLSA-N 2 2 330.394 3.214 20 0 EGADLP CN(C)c1[nH+]cc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1C ZINC000414363658 309075396 /nfs/dbraw/zinc/07/53/96/309075396.db2.gz GZTGAOCSNYFCCH-UHFFFAOYSA-N 2 2 340.475 3.282 20 0 EGADLP COc1ccc(C2([NH2+]Cc3c[nH+]c(N(C)C)n3C)CCCC2)cc1 ZINC000414389630 309077329 /nfs/dbraw/zinc/07/73/29/309077329.db2.gz GIZAEULFMBMANS-UHFFFAOYSA-N 2 2 328.460 3.054 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989774 308087579 /nfs/dbraw/zinc/08/75/79/308087579.db2.gz NXRFSNCMYZAMAN-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989774 308087582 /nfs/dbraw/zinc/08/75/82/308087582.db2.gz NXRFSNCMYZAMAN-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292989774 308087584 /nfs/dbraw/zinc/08/75/84/308087584.db2.gz NXRFSNCMYZAMAN-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292989774 308087585 /nfs/dbraw/zinc/08/75/85/308087585.db2.gz NXRFSNCMYZAMAN-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP CCc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000414460197 309081615 /nfs/dbraw/zinc/08/16/15/309081615.db2.gz XTTPGZPEYPGIKJ-IBGZPJMESA-N 2 2 338.499 3.429 20 0 EGADLP CCc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000414460197 309081616 /nfs/dbraw/zinc/08/16/16/309081616.db2.gz XTTPGZPEYPGIKJ-IBGZPJMESA-N 2 2 338.499 3.429 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CS[C@H](C)C3)c[nH+]c12 ZINC000414498945 309084724 /nfs/dbraw/zinc/08/47/24/309084724.db2.gz NUBVSUKORYKJGL-PWSUYJOCSA-N 2 2 340.290 3.389 20 0 EGADLP Oc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1Cl ZINC000293483927 308134874 /nfs/dbraw/zinc/13/48/74/308134874.db2.gz GBZDXFUQKMSMEI-UHFFFAOYSA-N 2 2 346.858 3.168 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC(C)C ZINC000293555239 308141386 /nfs/dbraw/zinc/14/13/86/308141386.db2.gz FKTFDGFMPYHWSY-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC(C)C ZINC000293555239 308141387 /nfs/dbraw/zinc/14/13/87/308141387.db2.gz FKTFDGFMPYHWSY-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OC(C)C ZINC000293555239 308141388 /nfs/dbraw/zinc/14/13/88/308141388.db2.gz FKTFDGFMPYHWSY-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OC(C)C ZINC000293555239 308141389 /nfs/dbraw/zinc/14/13/89/308141389.db2.gz FKTFDGFMPYHWSY-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)c1C ZINC000293804480 308163302 /nfs/dbraw/zinc/16/33/02/308163302.db2.gz DNGNYQDMNJMCQF-WMZOPIPTSA-N 2 2 347.484 3.257 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000295097282 308290873 /nfs/dbraw/zinc/29/08/73/308290873.db2.gz SVYVLYTXDCGUOF-UHFFFAOYSA-N 2 2 338.879 3.433 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000295097282 308290874 /nfs/dbraw/zinc/29/08/74/308290874.db2.gz SVYVLYTXDCGUOF-UHFFFAOYSA-N 2 2 338.879 3.433 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000295102945 308291658 /nfs/dbraw/zinc/29/16/58/308291658.db2.gz VDSFXDQRRCFXCC-AZUAARDMSA-N 2 2 334.423 3.277 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766262 309099535 /nfs/dbraw/zinc/09/95/35/309099535.db2.gz HJPDVFNWXITNNJ-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766262 309099536 /nfs/dbraw/zinc/09/95/36/309099536.db2.gz HJPDVFNWXITNNJ-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414804830 309102524 /nfs/dbraw/zinc/10/25/24/309102524.db2.gz PCWMPANAJYEZRP-SFHVURJKSA-N 2 2 326.488 3.056 20 0 EGADLP Cc1cc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)nc(C)[nH+]1 ZINC000301085650 308687699 /nfs/dbraw/zinc/68/76/99/308687699.db2.gz JDEATLCQEHWDKQ-HZPDHXFCSA-N 2 2 340.471 3.315 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301733500 308713081 /nfs/dbraw/zinc/71/30/81/308713081.db2.gz UFCFQFJBYCLSLJ-KRWDZBQOSA-N 2 2 325.456 3.092 20 0 EGADLP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414822218 309103743 /nfs/dbraw/zinc/10/37/43/309103743.db2.gz DJHHABDMQXRIEX-LLVKDONJSA-N 2 2 337.183 3.310 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)ccc1-n1cncn1 ZINC000414843125 309105032 /nfs/dbraw/zinc/10/50/32/309105032.db2.gz JLJISZNFSLYWFQ-FQEVSTJZSA-N 2 2 349.482 3.489 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000414842013 309105067 /nfs/dbraw/zinc/10/50/67/309105067.db2.gz IJUZEZGXSHPASX-KRWDZBQOSA-N 2 2 325.447 3.129 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000332046669 308824686 /nfs/dbraw/zinc/82/46/86/308824686.db2.gz LRJNFEQMZLVHBJ-UHFFFAOYSA-N 2 2 340.471 3.173 20 0 EGADLP Cc1cc(N)nc(SCc2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC000412993198 309011297 /nfs/dbraw/zinc/01/12/97/309011297.db2.gz WZGKMPFMEQNZOO-UHFFFAOYSA-N 2 2 328.485 3.476 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(O)ccc1Br)C1CCCCC1 ZINC000414851551 309105606 /nfs/dbraw/zinc/10/56/06/309105606.db2.gz PHROZEOOBYVACZ-OAHLLOKOSA-N 2 2 327.266 3.152 20 0 EGADLP CSc1cc2c(cc1C[NH2+][C@@H](C[NH3+])C1CCCCC1)OCCO2 ZINC000414855854 309105768 /nfs/dbraw/zinc/10/57/68/309105768.db2.gz XOKVUMUEAAPGHB-HNNXBMFYSA-N 2 2 336.501 3.177 20 0 EGADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000414856323 309106005 /nfs/dbraw/zinc/10/60/05/309106005.db2.gz YOEIJRFHQKTYLW-GFCCVEGCSA-N 2 2 328.382 3.055 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414860757 309106057 /nfs/dbraw/zinc/10/60/57/309106057.db2.gz DIELTDVVASMSBK-SFHVURJKSA-N 2 2 344.430 3.255 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cc1 ZINC000414884413 309107161 /nfs/dbraw/zinc/10/71/61/309107161.db2.gz OANCWFAYALGXSF-LEWJYISDSA-N 2 2 340.467 3.329 20 0 EGADLP [NH3+]C[C@H](NCc1[nH+]ccn1CC(F)(F)F)c1ccc2ccccc2c1 ZINC000414930002 309109815 /nfs/dbraw/zinc/10/98/15/309109815.db2.gz AIOOIMIWBAOGQE-INIZCTEOSA-N 2 2 348.372 3.388 20 0 EGADLP Fc1cc(F)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414940969 309110429 /nfs/dbraw/zinc/11/04/29/309110429.db2.gz CECSSOXBYJHQAM-QAPCUYQASA-N 2 2 338.348 3.478 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032836 309115416 /nfs/dbraw/zinc/11/54/16/309115416.db2.gz AYRMCSODUJKPQX-HUUCEWRRSA-N 2 2 347.532 3.187 20 0 EGADLP Cc1nn2c(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032836 309115417 /nfs/dbraw/zinc/11/54/17/309115417.db2.gz AYRMCSODUJKPQX-HUUCEWRRSA-N 2 2 347.532 3.187 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1OC(F)F ZINC000415032899 309115448 /nfs/dbraw/zinc/11/54/48/309115448.db2.gz BGJKOTONOYKVLC-JKSUJKDBSA-N 2 2 348.393 3.142 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000415043053 309116192 /nfs/dbraw/zinc/11/61/92/309116192.db2.gz AAHZOJSIISPONN-MRXNPFEDSA-N 2 2 326.469 3.490 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044900 309116208 /nfs/dbraw/zinc/11/62/08/309116208.db2.gz CCMLZMYKCHDRGL-GOSISDBHSA-N 2 2 332.879 3.441 20 0 EGADLP Brc1cccc(-c2c[nH]c(C[NH2+]CCC[NH2+]C3CC3)n2)c1 ZINC000415068371 309118124 /nfs/dbraw/zinc/11/81/24/309118124.db2.gz MTZGMEOZBNKXBF-UHFFFAOYSA-N 2 2 349.276 3.071 20 0 EGADLP Clc1cccc(Oc2ccccc2)c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415098312 309120146 /nfs/dbraw/zinc/12/01/46/309120146.db2.gz VPXMDRBKYAYOIL-OAHLLOKOSA-N 2 2 332.831 3.210 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000415108122 309120884 /nfs/dbraw/zinc/12/08/84/309120884.db2.gz ORRVYNURPACTMN-INIZCTEOSA-N 2 2 327.428 3.114 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415127472 309122393 /nfs/dbraw/zinc/12/23/93/309122393.db2.gz IEISRSVDDIKTOF-QWFCFKBJSA-N 3 2 329.532 3.394 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415187456 309125446 /nfs/dbraw/zinc/12/54/46/309125446.db2.gz PCFIHHOIQTYDQD-INIZCTEOSA-N 2 2 328.416 3.369 20 0 EGADLP C[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C[NH3+] ZINC000415189164 309125491 /nfs/dbraw/zinc/12/54/91/309125491.db2.gz RTHBLKUWSKGRCG-LSDHHAIUSA-N 2 2 340.427 3.323 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H]([NH2+]C)C2)c1 ZINC000415289948 309129803 /nfs/dbraw/zinc/12/98/03/309129803.db2.gz BDJBGYJOUMCHHG-KRWDZBQOSA-N 2 2 341.459 3.176 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000415290690 309130030 /nfs/dbraw/zinc/13/00/30/309130030.db2.gz DQWPPDKSPXVMJO-KRWDZBQOSA-N 2 2 341.459 3.209 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353965 309202723 /nfs/dbraw/zinc/20/27/23/309202723.db2.gz KRKRFMQFWUAIPJ-LLVKDONJSA-N 2 2 329.257 3.203 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000417951332 309229256 /nfs/dbraw/zinc/22/92/56/309229256.db2.gz LILBSCKCKACLCV-CMOCDZPBSA-N 2 2 336.479 3.015 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000417951332 309229257 /nfs/dbraw/zinc/22/92/57/309229257.db2.gz LILBSCKCKACLCV-CMOCDZPBSA-N 2 2 336.479 3.015 20 0 EGADLP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000418677165 309253362 /nfs/dbraw/zinc/25/33/62/309253362.db2.gz RJZGPVWXHVTVNZ-DLBZAZTESA-N 2 2 341.459 3.127 20 0 EGADLP CO[C@H](CC(C)C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000419215122 309261429 /nfs/dbraw/zinc/26/14/29/309261429.db2.gz LJYDPSWRSSTAQG-HXUWFJFHSA-N 2 2 333.520 3.081 20 0 EGADLP CO[C@H](CC(C)C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000419215122 309261430 /nfs/dbraw/zinc/26/14/30/309261430.db2.gz LJYDPSWRSSTAQG-HXUWFJFHSA-N 2 2 333.520 3.081 20 0 EGADLP C[NH2+][C@H]1CCC[N@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000420291809 309279695 /nfs/dbraw/zinc/27/96/95/309279695.db2.gz KYJXGTJYMVGHOM-SFHVURJKSA-N 2 2 332.488 3.066 20 0 EGADLP C[NH2+][C@H]1CCC[N@@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000420291809 309279696 /nfs/dbraw/zinc/27/96/96/309279696.db2.gz KYJXGTJYMVGHOM-SFHVURJKSA-N 2 2 332.488 3.066 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296345 309279886 /nfs/dbraw/zinc/27/98/86/309279886.db2.gz DJLQVIKLFDWVQU-DYVFJYSZSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296345 309279887 /nfs/dbraw/zinc/27/98/87/309279887.db2.gz DJLQVIKLFDWVQU-DYVFJYSZSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296347 309279956 /nfs/dbraw/zinc/27/99/56/309279956.db2.gz DJLQVIKLFDWVQU-GUYCJALGSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296347 309279957 /nfs/dbraw/zinc/27/99/57/309279957.db2.gz DJLQVIKLFDWVQU-GUYCJALGSA-N 2 2 326.843 3.242 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc2)cc1Br ZINC000420298819 309280150 /nfs/dbraw/zinc/28/01/50/309280150.db2.gz HXAYMVAKQMTFRY-PXAZEXFGSA-N 2 2 349.272 3.484 20 0 EGADLP CCc1cccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420315476 309281550 /nfs/dbraw/zinc/28/15/50/309281550.db2.gz RMQRCAIDRNIJCJ-IBGZPJMESA-N 2 2 338.499 3.127 20 0 EGADLP CCc1cccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420315476 309281551 /nfs/dbraw/zinc/28/15/51/309281551.db2.gz RMQRCAIDRNIJCJ-IBGZPJMESA-N 2 2 338.499 3.127 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000420352696 309283703 /nfs/dbraw/zinc/28/37/03/309283703.db2.gz ASVMLVNDDCMMHH-HNNXBMFYSA-N 2 2 343.393 3.141 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420358408 309283857 /nfs/dbraw/zinc/28/38/57/309283857.db2.gz IRDPEXWXTHWETC-GOSISDBHSA-N 2 2 341.455 3.380 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000420359673 309284056 /nfs/dbraw/zinc/28/40/56/309284056.db2.gz GMEZMZKHTDDXTH-BGJMDTOESA-N 2 2 331.504 3.009 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000420372254 309284725 /nfs/dbraw/zinc/28/47/25/309284725.db2.gz QDWNXISDJURQAD-BQVMBELUSA-N 2 2 344.286 3.297 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000420375536 309285121 /nfs/dbraw/zinc/28/51/21/309285121.db2.gz TXECDUITLRDTML-ICSRJNTNSA-N 2 2 349.494 3.136 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420379749 309285210 /nfs/dbraw/zinc/28/52/10/309285210.db2.gz YBZAMYKQQKWNME-WQGACYEGSA-N 2 2 348.288 3.473 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000420392158 309286025 /nfs/dbraw/zinc/28/60/25/309286025.db2.gz UKFHABHXMQQIMD-RYUDHWBXSA-N 2 2 346.302 3.100 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000420392158 309286026 /nfs/dbraw/zinc/28/60/26/309286026.db2.gz UKFHABHXMQQIMD-RYUDHWBXSA-N 2 2 346.302 3.100 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420395472 309286249 /nfs/dbraw/zinc/28/62/49/309286249.db2.gz LDHWTCAMHKQCDK-MAUKXSAKSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420395472 309286250 /nfs/dbraw/zinc/28/62/50/309286250.db2.gz LDHWTCAMHKQCDK-MAUKXSAKSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420395469 309286364 /nfs/dbraw/zinc/28/63/64/309286364.db2.gz LDHWTCAMHKQCDK-CRAIPNDOSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420395469 309286365 /nfs/dbraw/zinc/28/63/65/309286365.db2.gz LDHWTCAMHKQCDK-CRAIPNDOSA-N 2 2 329.419 3.445 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(C)[nH+]1 ZINC000420781206 309294449 /nfs/dbraw/zinc/29/44/49/309294449.db2.gz OYDGQVHFIHUNRF-QGZVFWFLSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(C)[nH+]1 ZINC000420781206 309294450 /nfs/dbraw/zinc/29/44/50/309294450.db2.gz OYDGQVHFIHUNRF-QGZVFWFLSA-N 2 2 332.492 3.152 20 0 EGADLP c1cc2c(s1)CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420896709 309299763 /nfs/dbraw/zinc/29/97/63/309299763.db2.gz AYSDKQZVKHXTER-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP c1cc2c(s1)CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420896709 309299764 /nfs/dbraw/zinc/29/97/64/309299764.db2.gz AYSDKQZVKHXTER-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP FC(F)(F)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420917409 309300891 /nfs/dbraw/zinc/30/08/91/309300891.db2.gz RKRZSRRFPBIJIH-UHFFFAOYSA-N 2 2 342.405 3.293 20 0 EGADLP Fc1ccc2c(c1)C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420941665 309302669 /nfs/dbraw/zinc/30/26/69/309302669.db2.gz TYDWKLDZRBEYAJ-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1ccc2c(c1)C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420941665 309302670 /nfs/dbraw/zinc/30/26/70/309302670.db2.gz TYDWKLDZRBEYAJ-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP c1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)nc1 ZINC000420946758 309303328 /nfs/dbraw/zinc/30/33/28/309303328.db2.gz OAYJOWZKDPLQSI-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)nc1 ZINC000420946758 309303329 /nfs/dbraw/zinc/30/33/29/309303329.db2.gz OAYJOWZKDPLQSI-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(C4CC4)c3)[nH+]c2)C1 ZINC000421341783 309319192 /nfs/dbraw/zinc/31/91/92/309319192.db2.gz LYTLLGBJVCNGKN-HXUWFJFHSA-N 2 2 336.483 3.133 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421843705 309342929 /nfs/dbraw/zinc/34/29/29/309342929.db2.gz RHHDIVMRHAQIOY-ZNLUXHQJSA-N 2 2 335.495 3.439 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421843705 309342930 /nfs/dbraw/zinc/34/29/30/309342930.db2.gz RHHDIVMRHAQIOY-ZNLUXHQJSA-N 2 2 335.495 3.439 20 0 EGADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccncc1Cl ZINC000421852719 309343483 /nfs/dbraw/zinc/34/34/83/309343483.db2.gz INUJKUBMLNVSPW-CQSZACIVSA-N 2 2 348.878 3.311 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709365 309364170 /nfs/dbraw/zinc/36/41/70/309364170.db2.gz YZUXCJRNKAYZPG-BBRMVZONSA-N 2 2 342.405 3.094 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]1 ZINC000422721210 309364837 /nfs/dbraw/zinc/36/48/37/309364837.db2.gz NPYHGDWWVDPXNM-YRNRMSPPSA-N 2 2 325.456 3.452 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422724756 309365018 /nfs/dbraw/zinc/36/50/18/309365018.db2.gz WNTRHRCPURYQCT-XJKSGUPXSA-N 2 2 327.453 3.451 20 0 EGADLP c1cn(-c2cccc(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000422739868 309365974 /nfs/dbraw/zinc/36/59/74/309365974.db2.gz ANZSIJGOJAEKNB-PZJWPPBQSA-N 3 2 332.451 3.455 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422820812 309370205 /nfs/dbraw/zinc/37/02/05/309370205.db2.gz SIONLQDYDQARHC-NQIIRXRSSA-N 3 2 348.494 3.022 20 0 EGADLP C[C@@H](NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422827942 309370609 /nfs/dbraw/zinc/37/06/09/309370609.db2.gz FLDRJGDAEXEGML-MJGOQNOKSA-N 2 2 326.488 3.136 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422839997 309371298 /nfs/dbraw/zinc/37/12/98/309371298.db2.gz RVHZOEIDQQORSL-COPCDDAFSA-N 2 2 338.495 3.370 20 0 EGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422858277 309372448 /nfs/dbraw/zinc/37/24/48/309372448.db2.gz IGLHEEPAYOZKBE-TYNCELHUSA-N 2 2 331.287 3.281 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000422905736 309375679 /nfs/dbraw/zinc/37/56/79/309375679.db2.gz SPPBFZPABLCRSK-QXAKKESOSA-N 3 2 342.462 3.412 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000422952837 309377788 /nfs/dbraw/zinc/37/77/88/309377788.db2.gz DLNMQFLSNOGTCI-QFUCXCTJSA-N 2 2 340.467 3.163 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422965351 309378828 /nfs/dbraw/zinc/37/88/28/309378828.db2.gz KVXNJLBVBJBOJG-OXQOHEQNSA-N 2 2 332.488 3.002 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000422997440 309380189 /nfs/dbraw/zinc/38/01/89/309380189.db2.gz BBKQKWBHWSPTIL-HOTGVXAUSA-N 2 2 330.394 3.386 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423017703 309381205 /nfs/dbraw/zinc/38/12/05/309381205.db2.gz PKLGTCOOBSILDW-APYUEPQZSA-N 2 2 341.293 3.255 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423024504 309381644 /nfs/dbraw/zinc/38/16/44/309381644.db2.gz LTSMKEHRLPXFQC-PBFPGSCMSA-N 2 2 325.859 3.178 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423033202 309381998 /nfs/dbraw/zinc/38/19/98/309381998.db2.gz ZEADPOYNSGOWMB-HACGYAERSA-N 3 2 327.875 3.189 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423033202 309381999 /nfs/dbraw/zinc/38/19/99/309381999.db2.gz ZEADPOYNSGOWMB-HACGYAERSA-N 3 2 327.875 3.189 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423114241 309386756 /nfs/dbraw/zinc/38/67/56/309386756.db2.gz ZBHYPAYUWYUCDU-QUCCMNQESA-N 2 2 335.451 3.006 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000423124967 309386976 /nfs/dbraw/zinc/38/69/76/309386976.db2.gz POOBLOQVDVRWSF-DMDPSCGWSA-N 2 2 345.256 3.006 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCS2 ZINC000423184806 309389487 /nfs/dbraw/zinc/38/94/87/309389487.db2.gz IRQNHKCNOCGKAL-DGCLKSJQSA-N 2 2 327.291 3.328 20 0 EGADLP COCCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423183864 309389536 /nfs/dbraw/zinc/38/95/36/309389536.db2.gz ICBFONMVMOXSHT-HZPDHXFCSA-N 2 2 341.293 3.258 20 0 EGADLP Fc1cc(Br)ccc1[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423184919 309389598 /nfs/dbraw/zinc/38/95/98/309389598.db2.gz IZMFPWYKYRPOJR-SWLSCSKDSA-N 2 2 327.241 3.381 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423196694 309390061 /nfs/dbraw/zinc/39/00/61/309390061.db2.gz VYCVYOOQXUZKHV-OCCSQVGLSA-N 2 2 325.250 3.004 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCS2 ZINC000423232872 309391606 /nfs/dbraw/zinc/39/16/06/309391606.db2.gz IWULMPHPDZQYBI-WCQYABFASA-N 2 2 327.291 3.328 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423233641 309391702 /nfs/dbraw/zinc/39/17/02/309391702.db2.gz KHPKXAITRPLABC-NXEZZACHSA-N 2 2 336.329 3.292 20 0 EGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423236898 309391807 /nfs/dbraw/zinc/39/18/07/309391807.db2.gz PBQJZPKCYRJORN-UYAOXDASSA-N 2 2 328.431 3.460 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)c2ccccc2C1 ZINC000423266768 309393184 /nfs/dbraw/zinc/39/31/84/309393184.db2.gz CIIBYUGXXOONGO-OAQYLSRUSA-N 2 2 343.515 3.382 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423305989 309394620 /nfs/dbraw/zinc/39/46/20/309394620.db2.gz CZGMCTKXBDFKKP-NVXWUHKLSA-N 2 2 338.467 3.424 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423327244 309395404 /nfs/dbraw/zinc/39/54/04/309395404.db2.gz JWTBUPUBMLVJPO-HZPDHXFCSA-N 2 2 330.394 3.167 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000423338408 309395870 /nfs/dbraw/zinc/39/58/70/309395870.db2.gz RMODTDOFXLDYLH-MRXNPFEDSA-N 2 2 341.293 3.042 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C12CCC2 ZINC000423336623 309395882 /nfs/dbraw/zinc/39/58/82/309395882.db2.gz QNQJXNUEFLLXNR-FUMNGEBKSA-N 2 2 344.499 3.078 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000423336776 309395938 /nfs/dbraw/zinc/39/59/38/309395938.db2.gz QTQHKUJRALWQIY-CXAGYDPISA-N 2 2 344.484 3.156 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000423336776 309395939 /nfs/dbraw/zinc/39/59/39/309395939.db2.gz QTQHKUJRALWQIY-CXAGYDPISA-N 2 2 344.484 3.156 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423417647 309399421 /nfs/dbraw/zinc/39/94/21/309399421.db2.gz HHERTSLMAWGOKM-HOCLYGCPSA-N 2 2 326.893 3.235 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423417919 309399452 /nfs/dbraw/zinc/39/94/52/309399452.db2.gz HLYUUGNHRJLWLY-IIBYNOLFSA-N 2 2 340.467 3.249 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc3cc(OC)ccc3c2)CCC[NH2+]1 ZINC000423417006 309399530 /nfs/dbraw/zinc/39/95/30/309399530.db2.gz GEPRREXFUSFCGG-YWZLYKJASA-N 2 2 328.456 3.268 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423423105 309399875 /nfs/dbraw/zinc/39/98/75/309399875.db2.gz KTNYEHAFLLLZNK-HOTGVXAUSA-N 2 2 341.293 3.258 20 0 EGADLP Fc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cnc3ccccc3c2)cc1 ZINC000423428665 309400118 /nfs/dbraw/zinc/40/01/18/309400118.db2.gz JOYQAQDNQPBEQU-IZZBFERCSA-N 2 2 333.410 3.271 20 0 EGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@]1(C)CCCO1 ZINC000428234078 309545197 /nfs/dbraw/zinc/54/51/97/309545197.db2.gz XJQGKPJASIBYQJ-NSHGMRRFSA-N 2 2 346.515 3.434 20 0 EGADLP C[C@@H](Nc1[nH+]c2ccc(F)cc2n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000431424690 309632742 /nfs/dbraw/zinc/63/27/42/309632742.db2.gz ZQAHNFKZOSWESR-FZKQIMNGSA-N 2 2 326.419 3.238 20 0 EGADLP Cc1nc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c(C)[nH+]1 ZINC000432932459 309673617 /nfs/dbraw/zinc/67/36/17/309673617.db2.gz QCKGZRGQSZCPBB-UHFFFAOYSA-N 2 2 325.460 3.319 20 0 EGADLP Cn1c(NC[C@H](c2cccs2)[NH+]2CCCC2)[nH+]c2cccc(F)c21 ZINC000443403999 309900131 /nfs/dbraw/zinc/90/01/31/309900131.db2.gz DFMVMMCVFIJUDG-OAHLLOKOSA-N 2 2 344.459 3.445 20 0 EGADLP Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000447296895 309976643 /nfs/dbraw/zinc/97/66/43/309976643.db2.gz SHWLCLPCEKINDP-MRXNPFEDSA-N 2 2 349.438 3.255 20 0 EGADLP CCn1nnc(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031895 310031157 /nfs/dbraw/zinc/03/11/57/310031157.db2.gz XTZBHNMHUAWOSO-LPHOPBHVSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031895 310031158 /nfs/dbraw/zinc/03/11/58/310031158.db2.gz XTZBHNMHUAWOSO-LPHOPBHVSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031895 310031159 /nfs/dbraw/zinc/03/11/59/310031159.db2.gz XTZBHNMHUAWOSO-LPHOPBHVSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031895 310031160 /nfs/dbraw/zinc/03/11/60/310031160.db2.gz XTZBHNMHUAWOSO-LPHOPBHVSA-N 2 2 341.503 3.091 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449034410 310031371 /nfs/dbraw/zinc/03/13/71/310031371.db2.gz JLOMZEKZAVFYJI-CYBMUJFWSA-N 2 2 348.288 3.381 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449034410 310031372 /nfs/dbraw/zinc/03/13/72/310031372.db2.gz JLOMZEKZAVFYJI-CYBMUJFWSA-N 2 2 348.288 3.381 20 0 EGADLP CCn1nnc(C)c1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449067657 310034399 /nfs/dbraw/zinc/03/43/99/310034399.db2.gz NILZEEQOFJJZKF-UHFFFAOYSA-N 2 2 347.894 3.014 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449109360 310037781 /nfs/dbraw/zinc/03/77/81/310037781.db2.gz YKLFOPWFAVSBTQ-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449109360 310037782 /nfs/dbraw/zinc/03/77/82/310037782.db2.gz YKLFOPWFAVSBTQ-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000449168396 310041872 /nfs/dbraw/zinc/04/18/72/310041872.db2.gz MLMATUJXBKMGNH-HNNXBMFYSA-N 2 2 328.460 3.413 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339443 310054808 /nfs/dbraw/zinc/05/48/08/310054808.db2.gz KKIHLFFESOCITN-FQEVSTJZSA-N 2 2 341.524 3.456 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339443 310054809 /nfs/dbraw/zinc/05/48/09/310054809.db2.gz KKIHLFFESOCITN-FQEVSTJZSA-N 2 2 341.524 3.456 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339443 310054810 /nfs/dbraw/zinc/05/48/10/310054810.db2.gz KKIHLFFESOCITN-FQEVSTJZSA-N 2 2 341.524 3.456 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)C1 ZINC000449339443 310054811 /nfs/dbraw/zinc/05/48/11/310054811.db2.gz KKIHLFFESOCITN-FQEVSTJZSA-N 2 2 341.524 3.456 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398903 310058747 /nfs/dbraw/zinc/05/87/47/310058747.db2.gz WWLCKGPGSPRAMS-GDBMZVCRSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398903 310058748 /nfs/dbraw/zinc/05/87/48/310058748.db2.gz WWLCKGPGSPRAMS-GDBMZVCRSA-N 2 2 344.421 3.073 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398737 310058821 /nfs/dbraw/zinc/05/88/21/310058821.db2.gz WHGFWIAPWBMHTN-YADHBBJMSA-N 2 2 338.495 3.407 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398737 310058822 /nfs/dbraw/zinc/05/88/22/310058822.db2.gz WHGFWIAPWBMHTN-YADHBBJMSA-N 2 2 338.495 3.407 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449472520 310065080 /nfs/dbraw/zinc/06/50/80/310065080.db2.gz ARKFNHNYEXIODN-AWEZNQCLSA-N 2 2 334.426 3.342 20 0 EGADLP OC[C@@H]([C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513042 310068381 /nfs/dbraw/zinc/06/83/81/310068381.db2.gz VCYXCYWOFWVENY-HBMCJLEFSA-N 2 2 328.500 3.038 20 0 EGADLP OC[C@@H]([C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513042 310068382 /nfs/dbraw/zinc/06/83/82/310068382.db2.gz VCYXCYWOFWVENY-HBMCJLEFSA-N 2 2 328.500 3.038 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C3CCC3)CC2)cc1 ZINC000449523460 310069168 /nfs/dbraw/zinc/06/91/68/310069168.db2.gz LGCYUXSHILXAHD-OAHLLOKOSA-N 2 2 329.488 3.388 20 0 EGADLP CCOc1cccc(C[N@H+](CCO)CCCc2c[nH+]ccc2C)c1 ZINC000449762993 310085556 /nfs/dbraw/zinc/08/55/56/310085556.db2.gz NRYVAUVFGAARLD-UHFFFAOYSA-N 2 2 328.456 3.216 20 0 EGADLP CCOc1cccc(C[N@@H+](CCO)CCCc2c[nH+]ccc2C)c1 ZINC000449762993 310085557 /nfs/dbraw/zinc/08/55/57/310085557.db2.gz NRYVAUVFGAARLD-UHFFFAOYSA-N 2 2 328.456 3.216 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CC[N@@H+](CC)[C@@H](c4ncc[nH]4)C3)c2c1 ZINC000450494628 310126378 /nfs/dbraw/zinc/12/63/78/310126378.db2.gz NKBPFRZXLVLGCQ-LJQANCHMSA-N 2 2 335.455 3.404 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CC[N@H+](CC)[C@@H](c4ncc[nH]4)C3)c2c1 ZINC000450494628 310126379 /nfs/dbraw/zinc/12/63/79/310126379.db2.gz NKBPFRZXLVLGCQ-LJQANCHMSA-N 2 2 335.455 3.404 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CCN(CC)[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000450494628 310126380 /nfs/dbraw/zinc/12/63/80/310126380.db2.gz NKBPFRZXLVLGCQ-LJQANCHMSA-N 2 2 335.455 3.404 20 0 EGADLP Cc1cccc(Cl)c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450655594 310135418 /nfs/dbraw/zinc/13/54/18/310135418.db2.gz UHKPDNZSMIVGJK-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cccc(Cl)c1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450655594 310135419 /nfs/dbraw/zinc/13/54/19/310135419.db2.gz UHKPDNZSMIVGJK-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450730342 310139834 /nfs/dbraw/zinc/13/98/34/310139834.db2.gz WCIRDTDOOYVWGW-KGLIPLIRSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730342 310139835 /nfs/dbraw/zinc/13/98/35/310139835.db2.gz WCIRDTDOOYVWGW-KGLIPLIRSA-N 2 2 344.425 3.188 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451576354 310187553 /nfs/dbraw/zinc/18/75/53/310187553.db2.gz ZPBPGJALKCZIKR-OAHLLOKOSA-N 2 2 334.261 3.444 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451576354 310187554 /nfs/dbraw/zinc/18/75/54/310187554.db2.gz ZPBPGJALKCZIKR-OAHLLOKOSA-N 2 2 334.261 3.444 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000453062559 310255326 /nfs/dbraw/zinc/25/53/26/310255326.db2.gz UIKDNWZRAYZDED-INIZCTEOSA-N 2 2 329.835 3.039 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000453167334 310261845 /nfs/dbraw/zinc/26/18/45/310261845.db2.gz AYIVOSMPOMLOCI-QGZVFWFLSA-N 2 2 330.863 3.014 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000453167334 310261846 /nfs/dbraw/zinc/26/18/46/310261846.db2.gz AYIVOSMPOMLOCI-QGZVFWFLSA-N 2 2 330.863 3.014 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cc1cnccn1 ZINC000453196026 310263315 /nfs/dbraw/zinc/26/33/15/310263315.db2.gz LBLRURKOCJZXTA-XLIONFOSSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)Cc1cnccn1 ZINC000453196026 310263316 /nfs/dbraw/zinc/26/33/16/310263316.db2.gz LBLRURKOCJZXTA-XLIONFOSSA-N 2 2 326.488 3.154 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453372562 310273555 /nfs/dbraw/zinc/27/35/55/310273555.db2.gz GNVHPLPOSVUTCM-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453372562 310273556 /nfs/dbraw/zinc/27/35/56/310273556.db2.gz GNVHPLPOSVUTCM-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000454339186 310304315 /nfs/dbraw/zinc/30/43/15/310304315.db2.gz XMLPKHJNLTZBGC-HNNXBMFYSA-N 2 2 332.492 3.010 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000454339186 310304316 /nfs/dbraw/zinc/30/43/16/310304316.db2.gz XMLPKHJNLTZBGC-HNNXBMFYSA-N 2 2 332.492 3.010 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373952 310306120 /nfs/dbraw/zinc/30/61/20/310306120.db2.gz RNMDEMZPAVLBHS-OWCLPIDISA-N 2 2 349.523 3.020 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373952 310306121 /nfs/dbraw/zinc/30/61/21/310306121.db2.gz RNMDEMZPAVLBHS-OWCLPIDISA-N 2 2 349.523 3.020 20 0 EGADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454712621 310325198 /nfs/dbraw/zinc/32/51/98/310325198.db2.gz CZZWPQOUIJIFRS-QGZVFWFLSA-N 2 2 341.459 3.035 20 0 EGADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454712621 310325199 /nfs/dbraw/zinc/32/51/99/310325199.db2.gz CZZWPQOUIJIFRS-QGZVFWFLSA-N 2 2 341.459 3.035 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](CCOC(C)C)CC3)[nH+]c2c1 ZINC000460930471 310586924 /nfs/dbraw/zinc/58/69/24/310586924.db2.gz IJJDBQVQVPSBEE-UHFFFAOYSA-N 2 2 327.472 3.399 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487958628 311044533 /nfs/dbraw/zinc/04/45/33/311044533.db2.gz JNZHXKURYHXOJA-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487958628 311044535 /nfs/dbraw/zinc/04/45/35/311044535.db2.gz JNZHXKURYHXOJA-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@H]3CS[C@H](C(C)(C)C)C3)[nH+]c2)CC1 ZINC000488440957 311065695 /nfs/dbraw/zinc/06/56/95/311065695.db2.gz KBOYYKRYNAXPAR-ZBFHGGJFSA-N 2 2 334.533 3.166 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000492920447 311306855 /nfs/dbraw/zinc/30/68/55/311306855.db2.gz JPHXIQDNVRAIFK-MDZDMXLPSA-N 2 2 332.492 3.029 20 0 EGADLP CCC(CC)(CNC(=O)/C=C\c1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000493435502 311376416 /nfs/dbraw/zinc/37/64/16/311376416.db2.gz TYHAUKSUIZRYRR-JNSOCZORSA-N 2 2 340.471 3.449 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000494694187 311504420 /nfs/dbraw/zinc/50/44/20/311504420.db2.gz PCILMUXEEFKHCU-CABCVRRESA-N 2 2 346.475 3.158 20 0 EGADLP CCS[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510630119 312145403 /nfs/dbraw/zinc/14/54/03/312145403.db2.gz OGYKAEMWLOCIGY-WOJBJXKFSA-N 2 2 347.572 3.463 20 0 EGADLP c1ccc2cc(CC[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000511642039 312165168 /nfs/dbraw/zinc/16/51/68/312165168.db2.gz VOTFEKFUFNPOLD-FQEVSTJZSA-N 2 2 338.495 3.427 20 0 EGADLP c1ccc2cc(CC[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000511642039 312165170 /nfs/dbraw/zinc/16/51/70/312165170.db2.gz VOTFEKFUFNPOLD-FQEVSTJZSA-N 2 2 338.495 3.427 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672616 312192025 /nfs/dbraw/zinc/19/20/25/312192025.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C1CC1 ZINC000512672616 312192026 /nfs/dbraw/zinc/19/20/26/312192026.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@H+](C)C1CC1 ZINC000512672616 312192027 /nfs/dbraw/zinc/19/20/27/312192027.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)[N@@H+](C)C1CC1 ZINC000512672616 312192028 /nfs/dbraw/zinc/19/20/28/312192028.db2.gz LLRVERXORANIMQ-QTPAZIJBSA-N 3 2 341.543 3.359 20 0 EGADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000514977044 312257869 /nfs/dbraw/zinc/25/78/69/312257869.db2.gz QTXBYUSIJZLFRJ-GOSISDBHSA-N 2 2 349.438 3.293 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000516489643 312325342 /nfs/dbraw/zinc/32/53/42/312325342.db2.gz CDIHDVIAQUOWAV-OAHLLOKOSA-N 2 2 348.516 3.020 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000516489643 312325343 /nfs/dbraw/zinc/32/53/43/312325343.db2.gz CDIHDVIAQUOWAV-OAHLLOKOSA-N 2 2 348.516 3.020 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCc4ccccc4CC3)c2cc1C ZINC000523860349 312636603 /nfs/dbraw/zinc/63/66/03/312636603.db2.gz KABIYCGISTXLIE-HXUWFJFHSA-N 2 2 349.478 3.115 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1F)Cn1cc[nH+]c1 ZINC000527648986 312898147 /nfs/dbraw/zinc/89/81/47/312898147.db2.gz LXKDXCVCSQOQGL-SNVBAGLBSA-N 2 2 344.203 3.350 20 0 EGADLP CC1([NH+]2CCOCC2)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000528191053 313036483 /nfs/dbraw/zinc/03/64/83/313036483.db2.gz SDEYYHRIDDEHDU-UHFFFAOYSA-N 2 2 329.419 3.065 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528740077 313160920 /nfs/dbraw/zinc/16/09/20/313160920.db2.gz PAFLBKFLRURQKE-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528740077 313160922 /nfs/dbraw/zinc/16/09/22/313160922.db2.gz PAFLBKFLRURQKE-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP c1cc(N2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000529638710 313376277 /nfs/dbraw/zinc/37/62/77/313376277.db2.gz AFVFDFDOFCIARP-HXUWFJFHSA-N 3 2 328.504 3.047 20 0 EGADLP c1cc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000529638710 313376279 /nfs/dbraw/zinc/37/62/79/313376279.db2.gz AFVFDFDOFCIARP-HXUWFJFHSA-N 3 2 328.504 3.047 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000531931961 313732287 /nfs/dbraw/zinc/73/22/87/313732287.db2.gz ZKCIIWYYYVNMLP-ZDUSSCGKSA-N 2 2 345.409 3.354 20 0 EGADLP CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000532204130 313768062 /nfs/dbraw/zinc/76/80/62/313768062.db2.gz GDXKAYOWYIAHRQ-ICSRJNTNSA-N 2 2 332.488 3.066 20 0 EGADLP Cn1c(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc2ccccc21 ZINC000534128841 313954533 /nfs/dbraw/zinc/95/45/33/313954533.db2.gz RZLWRKLNJYVBHA-UHFFFAOYSA-N 2 2 335.455 3.087 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000534548952 313987558 /nfs/dbraw/zinc/98/75/58/313987558.db2.gz FKNRVFRXQWJOML-TWGQIWQCSA-N 2 2 337.467 3.230 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534863108 314002863 /nfs/dbraw/zinc/00/28/63/314002863.db2.gz WONMBNHXISPVCC-UHFFFAOYSA-N 2 2 338.455 3.159 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312338 314039738 /nfs/dbraw/zinc/03/97/38/314039738.db2.gz FKBJKTCNWDRJMY-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535312338 314039740 /nfs/dbraw/zinc/03/97/40/314039740.db2.gz FKBJKTCNWDRJMY-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000535964591 314085948 /nfs/dbraw/zinc/08/59/48/314085948.db2.gz TXAGPQZEPJJKLS-QZTJIDSGSA-N 2 2 343.471 3.005 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000535964591 314085951 /nfs/dbraw/zinc/08/59/51/314085951.db2.gz TXAGPQZEPJJKLS-QZTJIDSGSA-N 2 2 343.471 3.005 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O[C@H](C)C2 ZINC000536695277 314139278 /nfs/dbraw/zinc/13/92/78/314139278.db2.gz XCINLJPUWUEICP-SJORKVTESA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O[C@H](C)C2 ZINC000536695277 314139280 /nfs/dbraw/zinc/13/92/80/314139280.db2.gz XCINLJPUWUEICP-SJORKVTESA-N 2 2 344.499 3.326 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)(C)C)c1 ZINC000539336945 314307441 /nfs/dbraw/zinc/30/74/41/314307441.db2.gz LSRRHXBJODZBNV-BWPNAZKDSA-N 2 2 348.531 3.142 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)(C)C)c1 ZINC000539336945 314307444 /nfs/dbraw/zinc/30/74/44/314307444.db2.gz LSRRHXBJODZBNV-BWPNAZKDSA-N 2 2 348.531 3.142 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000545223349 314744197 /nfs/dbraw/zinc/74/41/97/314744197.db2.gz MBSUVWMLOGAPNK-IBGZPJMESA-N 2 2 339.439 3.181 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000547499697 314909582 /nfs/dbraw/zinc/90/95/82/314909582.db2.gz FZJMLFUVZSUPFB-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549780914 315103964 /nfs/dbraw/zinc/10/39/64/315103964.db2.gz XYTGUJIEYWOLTI-UVBSCNOISA-N 2 2 349.316 3.379 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549780914 315103965 /nfs/dbraw/zinc/10/39/65/315103965.db2.gz XYTGUJIEYWOLTI-UVBSCNOISA-N 2 2 349.316 3.379 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@@H+]1C1CC1 ZINC000549923420 315110978 /nfs/dbraw/zinc/11/09/78/315110978.db2.gz KFAVLEJHNIHPSG-HOCLYGCPSA-N 2 2 346.544 3.269 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C[N@H+]1C1CC1 ZINC000549923420 315110980 /nfs/dbraw/zinc/11/09/80/315110980.db2.gz KFAVLEJHNIHPSG-HOCLYGCPSA-N 2 2 346.544 3.269 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921646 315137801 /nfs/dbraw/zinc/13/78/01/315137801.db2.gz WHAMDYXNRXOTKO-KDOFPFPSSA-N 2 2 346.544 3.126 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921646 315137804 /nfs/dbraw/zinc/13/78/04/315137804.db2.gz WHAMDYXNRXOTKO-KDOFPFPSSA-N 2 2 346.544 3.126 20 0 EGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551045856 315140927 /nfs/dbraw/zinc/14/09/27/315140927.db2.gz MPIIXODPOSOARF-INIZCTEOSA-N 2 2 342.405 3.392 20 0 EGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000551045856 315140929 /nfs/dbraw/zinc/14/09/29/315140929.db2.gz MPIIXODPOSOARF-INIZCTEOSA-N 2 2 342.405 3.392 20 0 EGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(-c2cnn(C)c2)c1 ZINC000551227746 315145775 /nfs/dbraw/zinc/14/57/75/315145775.db2.gz SGNWSIVUAVOMMY-UHFFFAOYSA-N 2 2 335.455 3.218 20 0 EGADLP CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000561401356 315760834 /nfs/dbraw/zinc/76/08/34/315760834.db2.gz OTHJJWLIDYNRIQ-UHFFFAOYSA-N 2 2 343.475 3.214 20 0 EGADLP COc1ccc([C@@H](C[NH2+]Cc2c[nH+]c(C)n2C)N2CCCCC2)cc1 ZINC000563439954 316022436 /nfs/dbraw/zinc/02/24/36/316022436.db2.gz JOTMCMUVGDCXHB-HXUWFJFHSA-N 2 2 342.487 3.054 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570280 316039537 /nfs/dbraw/zinc/03/95/37/316039537.db2.gz BDULZNVNLWBCMP-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])ccc2n1C1CC1 ZINC000564937738 316235311 /nfs/dbraw/zinc/23/53/11/316235311.db2.gz PBFPCQNNOUAXPN-DOTOQJQBSA-N 2 2 340.471 3.203 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ncccc12 ZINC000565228912 316295708 /nfs/dbraw/zinc/29/57/08/316295708.db2.gz JFJPSROTVQOCRG-KRWDZBQOSA-N 2 2 343.446 3.061 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ncccc12 ZINC000565228912 316295710 /nfs/dbraw/zinc/29/57/10/316295710.db2.gz JFJPSROTVQOCRG-KRWDZBQOSA-N 2 2 343.446 3.061 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CCCC3(F)F)c2cc1C ZINC000566120128 316420948 /nfs/dbraw/zinc/42/09/48/316420948.db2.gz JKVWBOHCPLMWBB-GJZGRUSLSA-N 2 2 337.414 3.039 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000567889413 316689107 /nfs/dbraw/zinc/68/91/07/316689107.db2.gz WFRDSAWXODUCOZ-MRXNPFEDSA-N 2 2 349.906 3.217 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)Cc1ccc(F)cc1)[NH+](C)C ZINC000569232149 316885575 /nfs/dbraw/zinc/88/55/75/316885575.db2.gz LOUBTYKXSQCOBU-BSIFCXSSSA-N 2 2 344.474 3.319 20 0 EGADLP CC[NH+]1CCC(CNC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000570178479 317019658 /nfs/dbraw/zinc/01/96/58/317019658.db2.gz GXBBKSIALUDOMN-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507525 317065605 /nfs/dbraw/zinc/06/56/05/317065605.db2.gz MSKIGJCYYILMHR-VBKZILBWSA-N 2 2 349.478 3.454 20 0 EGADLP Cc1[nH+]c2ccccn2c1CNc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000571186458 317163563 /nfs/dbraw/zinc/16/35/63/317163563.db2.gz TYDCFAORNFCALO-ZDUSSCGKSA-N 2 2 349.438 3.466 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572085719 317287892 /nfs/dbraw/zinc/28/78/92/317287892.db2.gz BFKRALDVTCHHET-FCEWJHQRSA-N 2 2 332.488 3.162 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572085719 317287895 /nfs/dbraw/zinc/28/78/95/317287895.db2.gz BFKRALDVTCHHET-FCEWJHQRSA-N 2 2 332.488 3.162 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000572310203 317318914 /nfs/dbraw/zinc/31/89/14/317318914.db2.gz YCJAOYKEYVNPEY-SGMGOOAPSA-N 2 2 346.393 3.412 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000572310203 317318919 /nfs/dbraw/zinc/31/89/19/317318919.db2.gz YCJAOYKEYVNPEY-SGMGOOAPSA-N 2 2 346.393 3.412 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c(OC)n1 ZINC000573966632 317546970 /nfs/dbraw/zinc/54/69/70/317546970.db2.gz XAQZDNGALMZEFH-MAUKXSAKSA-N 2 2 347.503 3.232 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000574512300 317606100 /nfs/dbraw/zinc/60/61/00/317606100.db2.gz OXCZARGPZQRVPF-KKSFZXQISA-N 2 2 337.467 3.489 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000575039298 317665115 /nfs/dbraw/zinc/66/51/15/317665115.db2.gz DPWNXYBPQAFQLQ-SFHVURJKSA-N 2 2 341.430 3.067 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Br)C[C@H]12 ZINC000261561644 455908237 /nfs/dbraw/zinc/90/82/37/455908237.db2.gz GBVQTEHSTMFAAL-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Br)C[C@H]12 ZINC000261561644 455908242 /nfs/dbraw/zinc/90/82/42/455908242.db2.gz GBVQTEHSTMFAAL-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Br ZINC000234951658 456151148 /nfs/dbraw/zinc/15/11/48/456151148.db2.gz HBWRMUZTTTXWPQ-YPMHNXCESA-N 2 2 327.266 3.250 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386627990 324268954 /nfs/dbraw/zinc/26/89/54/324268954.db2.gz ZNGXYKJQVMPNSC-BZUAXINKSA-N 2 2 336.480 3.039 20 0 EGADLP CCOc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc(Cl)c1O ZINC000576244581 324576574 /nfs/dbraw/zinc/57/65/74/324576574.db2.gz HEGGLWDPIJEELR-UHFFFAOYSA-N 2 2 335.835 3.267 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)nnn1-c1ccc(Cl)cc1 ZINC000576577588 324642809 /nfs/dbraw/zinc/64/28/09/324642809.db2.gz RTZWCGQWEGCCAI-IUODEOHRSA-N 2 2 333.867 3.022 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000577839750 324874753 /nfs/dbraw/zinc/87/47/53/324874753.db2.gz RZQRAHAROXEXTQ-JXFKEZNVSA-N 2 2 337.467 3.477 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000579918022 325175366 /nfs/dbraw/zinc/17/53/66/325175366.db2.gz HNJURXMQORTREI-QGZVFWFLSA-N 2 2 343.862 3.429 20 0 EGADLP Cc1cnccc1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000580281105 325227106 /nfs/dbraw/zinc/22/71/06/325227106.db2.gz LMURXGYGRUUNBN-SFHVURJKSA-N 2 2 339.483 3.380 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000580431762 325249440 /nfs/dbraw/zinc/24/94/40/325249440.db2.gz AAYORDDFEYJVQV-DOXZYTNZSA-N 2 2 338.455 3.125 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960780 325315027 /nfs/dbraw/zinc/31/50/27/325315027.db2.gz WKHKWXDJLRIKPS-NXEZZACHSA-N 2 2 349.784 3.109 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960780 325315029 /nfs/dbraw/zinc/31/50/29/325315029.db2.gz WKHKWXDJLRIKPS-NXEZZACHSA-N 2 2 349.784 3.109 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979339 325315860 /nfs/dbraw/zinc/31/58/60/325315860.db2.gz OUXNSEXEBNXXCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979339 325315863 /nfs/dbraw/zinc/31/58/63/325315863.db2.gz OUXNSEXEBNXXCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000580979339 325315865 /nfs/dbraw/zinc/31/58/65/325315865.db2.gz OUXNSEXEBNXXCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000580979339 325315867 /nfs/dbraw/zinc/31/58/67/325315867.db2.gz OUXNSEXEBNXXCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[C@@]1(c2ccccc2)C[N@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067411 325326775 /nfs/dbraw/zinc/32/67/75/325326775.db2.gz KAHMPFFKPLDZOE-XLIONFOSSA-N 2 2 328.431 3.116 20 0 EGADLP C[C@@]1(c2ccccc2)C[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067411 325326778 /nfs/dbraw/zinc/32/67/78/325326778.db2.gz KAHMPFFKPLDZOE-XLIONFOSSA-N 2 2 328.431 3.116 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429862 325360812 /nfs/dbraw/zinc/36/08/12/325360812.db2.gz MNKDOQPFMGLRMH-KUHUBIRLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429862 325360814 /nfs/dbraw/zinc/36/08/14/325360814.db2.gz MNKDOQPFMGLRMH-KUHUBIRLSA-N 2 2 344.434 3.321 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383093 /nfs/dbraw/zinc/38/30/93/325383093.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383095 /nfs/dbraw/zinc/38/30/95/325383095.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383096 /nfs/dbraw/zinc/38/30/96/325383096.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000581696548 325383098 /nfs/dbraw/zinc/38/30/98/325383098.db2.gz PXIMPWUNAQFMQT-OYNPSCLESA-N 3 2 329.532 3.215 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccn12 ZINC000583449893 325526037 /nfs/dbraw/zinc/52/60/37/325526037.db2.gz ZTJLUJOTJOMAHX-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)c2ccccc21 ZINC000583558858 325533876 /nfs/dbraw/zinc/53/38/76/325533876.db2.gz PTDULZUBDUAGDA-HSALFYBXSA-N 2 2 335.451 3.085 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000180661392 455221740 /nfs/dbraw/zinc/22/17/40/455221740.db2.gz FGUNDLANQVVXEH-DLBZAZTESA-N 2 2 348.450 3.400 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469851619 458596853 /nfs/dbraw/zinc/59/68/53/458596853.db2.gz ZOOXESUMUSSOSC-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851180 458596870 /nfs/dbraw/zinc/59/68/70/458596870.db2.gz HJQQIMJSHYUJSD-GXSJLCMTSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851180 458596877 /nfs/dbraw/zinc/59/68/77/458596877.db2.gz HJQQIMJSHYUJSD-GXSJLCMTSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851181 458597447 /nfs/dbraw/zinc/59/74/47/458597447.db2.gz HJQQIMJSHYUJSD-KOLCDFICSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851181 458597453 /nfs/dbraw/zinc/59/74/53/458597453.db2.gz HJQQIMJSHYUJSD-KOLCDFICSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000264647822 455255946 /nfs/dbraw/zinc/25/59/46/455255946.db2.gz ZLFHCYJVTXISEZ-KRWDZBQOSA-N 2 2 340.471 3.053 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@H](c1[nH+]ccn1C)C1CC1)Cc1ccccc1 ZINC000183244186 455259151 /nfs/dbraw/zinc/25/91/51/455259151.db2.gz DGXBHJXBYRKPTK-PMACEKPBSA-N 2 2 340.515 3.414 20 0 EGADLP CC(C)c1nc(N2CCC([N@H+](C)CCCO)CC2)cc(C(C)(C)C)[nH+]1 ZINC000189982349 455265934 /nfs/dbraw/zinc/26/59/34/455265934.db2.gz MAEGCKPRNAVLRM-UHFFFAOYSA-N 2 2 348.535 3.181 20 0 EGADLP CC(C)c1nc(N2CCC([N@@H+](C)CCCO)CC2)cc(C(C)(C)C)[nH+]1 ZINC000189982349 455265935 /nfs/dbraw/zinc/26/59/35/455265935.db2.gz MAEGCKPRNAVLRM-UHFFFAOYSA-N 2 2 348.535 3.181 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527649300 459683889 /nfs/dbraw/zinc/68/38/89/459683889.db2.gz NHJUXSAMTGTZQP-LLVKDONJSA-N 2 2 346.700 3.317 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623469824 460565935 /nfs/dbraw/zinc/56/59/35/460565935.db2.gz SGELVUAVVUJKME-HNNXBMFYSA-N 2 2 335.455 3.273 20 0 EGADLP CC(C)C[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264846223 455291081 /nfs/dbraw/zinc/29/10/81/455291081.db2.gz GCWQMMACVYTZCC-UHFFFAOYSA-N 2 2 339.439 3.288 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641198 455321188 /nfs/dbraw/zinc/32/11/88/455321188.db2.gz HVBINEDKFBSMQA-CTNGQTDRSA-N 2 2 343.515 3.060 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641198 455321189 /nfs/dbraw/zinc/32/11/89/455321189.db2.gz HVBINEDKFBSMQA-CTNGQTDRSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641198 455321191 /nfs/dbraw/zinc/32/11/91/455321191.db2.gz HVBINEDKFBSMQA-CTNGQTDRSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641198 455321193 /nfs/dbraw/zinc/32/11/93/455321193.db2.gz HVBINEDKFBSMQA-CTNGQTDRSA-N 2 2 343.515 3.060 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245578564 455334202 /nfs/dbraw/zinc/33/42/02/455334202.db2.gz IFJGYOACTYKONB-AYBZRNKSSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245578564 455334206 /nfs/dbraw/zinc/33/42/06/455334206.db2.gz IFJGYOACTYKONB-AYBZRNKSSA-N 2 2 340.471 3.410 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158911811 455336295 /nfs/dbraw/zinc/33/62/95/455336295.db2.gz IEGMDEFRXBBGNY-VAMGGRTRSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158911811 455336296 /nfs/dbraw/zinc/33/62/96/455336296.db2.gz IEGMDEFRXBBGNY-VAMGGRTRSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000158911811 455336301 /nfs/dbraw/zinc/33/63/01/455336301.db2.gz IEGMDEFRXBBGNY-VAMGGRTRSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000158911811 455336305 /nfs/dbraw/zinc/33/63/05/455336305.db2.gz IEGMDEFRXBBGNY-VAMGGRTRSA-N 2 2 343.515 3.060 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2csc(C(F)(F)F)c2)CCCO1 ZINC000623507455 460587094 /nfs/dbraw/zinc/58/70/94/460587094.db2.gz KNKMIDGSGXKMRO-GFCCVEGCSA-N 2 2 336.423 3.357 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc(C(F)(F)F)c2)CCCO1 ZINC000623507455 460587103 /nfs/dbraw/zinc/58/71/03/460587103.db2.gz KNKMIDGSGXKMRO-GFCCVEGCSA-N 2 2 336.423 3.357 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]4CCC[C@@H]43)c2cc1C ZINC000075769175 453925925 /nfs/dbraw/zinc/92/59/25/453925925.db2.gz LEYNFPQPZCLNSF-LMMKCTJWSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]4CCC[C@@H]43)c2cc1C ZINC000075769175 453925929 /nfs/dbraw/zinc/92/59/29/453925929.db2.gz LEYNFPQPZCLNSF-LMMKCTJWSA-N 2 2 327.472 3.279 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000037228726 453934367 /nfs/dbraw/zinc/93/43/67/453934367.db2.gz DLUQTPYPEJSFOC-OAHLLOKOSA-N 2 2 339.277 3.348 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000076003626 453947816 /nfs/dbraw/zinc/94/78/16/453947816.db2.gz SNWVISFHZHFQTF-RBUKOAKNSA-N 2 2 345.531 3.144 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000076003626 453947817 /nfs/dbraw/zinc/94/78/17/453947817.db2.gz SNWVISFHZHFQTF-RBUKOAKNSA-N 2 2 345.531 3.144 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000084663764 454003684 /nfs/dbraw/zinc/00/36/84/454003684.db2.gz CSZGABFBIDFQTE-ZDUSSCGKSA-N 2 2 337.514 3.072 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(Br)c2)CC1 ZINC000042681380 454020326 /nfs/dbraw/zinc/02/03/26/454020326.db2.gz WHAUIRKCDYCPFR-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(Br)c2)CC1 ZINC000042681380 454020329 /nfs/dbraw/zinc/02/03/29/454020329.db2.gz WHAUIRKCDYCPFR-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Cn1c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)nc2ccccc21 ZINC000076901080 454047517 /nfs/dbraw/zinc/04/75/17/454047517.db2.gz HDXLDPJVXZJXPV-UHFFFAOYSA-N 2 2 333.439 3.182 20 0 EGADLP CCC[N@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000071314954 454204867 /nfs/dbraw/zinc/20/48/67/454204867.db2.gz YOYIRURWJWWPID-ZDUSSCGKSA-N 2 2 327.266 3.032 20 0 EGADLP CCC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@H]1CC[NH2+]C1 ZINC000071314954 454204873 /nfs/dbraw/zinc/20/48/73/454204873.db2.gz YOYIRURWJWWPID-ZDUSSCGKSA-N 2 2 327.266 3.032 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045676310 454173447 /nfs/dbraw/zinc/17/34/47/454173447.db2.gz YDKOQYGLUOALQE-UHFFFAOYSA-N 2 2 343.390 3.369 20 0 EGADLP CN(C)C(=O)[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000078279902 454222882 /nfs/dbraw/zinc/22/28/82/454222882.db2.gz YKLOAWLPHAZODA-LJQANCHMSA-N 2 2 331.504 3.060 20 0 EGADLP CN(C)C(=O)[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000078279902 454222884 /nfs/dbraw/zinc/22/28/84/454222884.db2.gz YKLOAWLPHAZODA-LJQANCHMSA-N 2 2 331.504 3.060 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047144 454267072 /nfs/dbraw/zinc/26/70/72/454267072.db2.gz GWULFDSUXFLADM-MJGOQNOKSA-N 2 2 332.488 3.218 20 0 EGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090218516 454293890 /nfs/dbraw/zinc/29/38/90/454293890.db2.gz IALAOPSCNIMFJM-FXAWDEMLSA-N 2 2 331.504 3.087 20 0 EGADLP Clc1ccc(Br)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000090249665 454296637 /nfs/dbraw/zinc/29/66/37/454296637.db2.gz PFXSUYVPRNSBSN-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000120470473 454306404 /nfs/dbraw/zinc/30/64/04/454306404.db2.gz HZMBKLILIVWNNW-SFHVURJKSA-N 2 2 338.455 3.376 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000120470473 454306410 /nfs/dbraw/zinc/30/64/10/454306410.db2.gz HZMBKLILIVWNNW-SFHVURJKSA-N 2 2 338.455 3.376 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2cccc(F)c2[nH+]1 ZINC000120640384 454329189 /nfs/dbraw/zinc/32/91/89/454329189.db2.gz MWURLMUQIOEZQQ-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)n1 ZINC000090667280 454334741 /nfs/dbraw/zinc/33/47/41/454334741.db2.gz PKRWLQCZNBLIMN-JKSUJKDBSA-N 2 2 339.487 3.365 20 0 EGADLP Cc1ncsc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000132409598 454335565 /nfs/dbraw/zinc/33/55/65/454335565.db2.gz UTOPRQYQNLMWCG-UHFFFAOYSA-N 2 2 333.476 3.387 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000090772197 454339135 /nfs/dbraw/zinc/33/91/35/454339135.db2.gz XPYSXQPZTRPDGI-NRFANRHFSA-N 2 2 340.467 3.477 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176754 455441927 /nfs/dbraw/zinc/44/19/27/455441927.db2.gz JUAWPKJOGLBOIS-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176754 455441928 /nfs/dbraw/zinc/44/19/28/455441928.db2.gz JUAWPKJOGLBOIS-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176754 455441931 /nfs/dbraw/zinc/44/19/31/455441931.db2.gz JUAWPKJOGLBOIS-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176754 455441933 /nfs/dbraw/zinc/44/19/33/455441933.db2.gz JUAWPKJOGLBOIS-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090801832 454341203 /nfs/dbraw/zinc/34/12/03/454341203.db2.gz YNDQUZPZIRSZKU-WMZOPIPTSA-N 2 2 333.439 3.197 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860035 454352796 /nfs/dbraw/zinc/35/27/96/454352796.db2.gz MVIVORFDWMVGLB-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860035 454352800 /nfs/dbraw/zinc/35/28/00/454352800.db2.gz MVIVORFDWMVGLB-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860035 454352801 /nfs/dbraw/zinc/35/28/01/454352801.db2.gz MVIVORFDWMVGLB-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860035 454352804 /nfs/dbraw/zinc/35/28/04/454352804.db2.gz MVIVORFDWMVGLB-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000062254529 454372621 /nfs/dbraw/zinc/37/26/21/454372621.db2.gz WHQVAEGZJNETDW-ZDUSSCGKSA-N 2 2 329.835 3.353 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337052 454429302 /nfs/dbraw/zinc/42/93/02/454429302.db2.gz HJDKTGPPMSOHRE-IAGOWNOFSA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337052 454429304 /nfs/dbraw/zinc/42/93/04/454429304.db2.gz HJDKTGPPMSOHRE-IAGOWNOFSA-N 2 2 343.437 3.238 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073588 454516706 /nfs/dbraw/zinc/51/67/06/454516706.db2.gz FQZOCPMSSMGHJD-OAHLLOKOSA-N 2 2 345.443 3.205 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073588 454516712 /nfs/dbraw/zinc/51/67/12/454516712.db2.gz FQZOCPMSSMGHJD-OAHLLOKOSA-N 2 2 345.443 3.205 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)CCO1 ZINC000092078754 454517991 /nfs/dbraw/zinc/51/79/91/454517991.db2.gz LCTYNTCDDNGWFX-AWEZNQCLSA-N 2 2 332.419 3.257 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)CCO1 ZINC000092078754 454517995 /nfs/dbraw/zinc/51/79/95/454517995.db2.gz LCTYNTCDDNGWFX-AWEZNQCLSA-N 2 2 332.419 3.257 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cn1 ZINC000092740877 454622182 /nfs/dbraw/zinc/62/21/82/454622182.db2.gz LGPOWLNWGVKAQW-HOTGVXAUSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cn1 ZINC000092740877 454622187 /nfs/dbraw/zinc/62/21/87/454622187.db2.gz LGPOWLNWGVKAQW-HOTGVXAUSA-N 2 2 343.446 3.292 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968958 454661717 /nfs/dbraw/zinc/66/17/17/454661717.db2.gz OXRIXYZMNLSPQI-UHFFFAOYSA-N 2 2 327.447 3.360 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968958 454661722 /nfs/dbraw/zinc/66/17/22/454661722.db2.gz OXRIXYZMNLSPQI-UHFFFAOYSA-N 2 2 327.447 3.360 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000080974172 454662912 /nfs/dbraw/zinc/66/29/12/454662912.db2.gz AQCBQGDJLISVTM-AWEZNQCLSA-N 2 2 339.395 3.322 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000080974172 454662914 /nfs/dbraw/zinc/66/29/14/454662914.db2.gz AQCBQGDJLISVTM-AWEZNQCLSA-N 2 2 339.395 3.322 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017250 454670846 /nfs/dbraw/zinc/67/08/46/454670846.db2.gz IFAKLMNIZJUOOO-MRXNPFEDSA-N 2 2 349.544 3.345 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017250 454670852 /nfs/dbraw/zinc/67/08/52/454670852.db2.gz IFAKLMNIZJUOOO-MRXNPFEDSA-N 2 2 349.544 3.345 20 0 EGADLP CCCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017871 454671847 /nfs/dbraw/zinc/67/18/47/454671847.db2.gz IRXMZNDRPDDROP-IBGZPJMESA-N 2 2 332.488 3.020 20 0 EGADLP CCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017871 454671851 /nfs/dbraw/zinc/67/18/51/454671851.db2.gz IRXMZNDRPDDROP-IBGZPJMESA-N 2 2 332.488 3.020 20 0 EGADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000152760361 454722652 /nfs/dbraw/zinc/72/26/52/454722652.db2.gz XPFHMRRRSPHFIF-QGZVFWFLSA-N 2 2 341.455 3.274 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1F ZINC000124365209 454723681 /nfs/dbraw/zinc/72/36/81/454723681.db2.gz HBUUYHWZOKHTCR-CQSZACIVSA-N 2 2 343.406 3.464 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1F ZINC000124365209 454723687 /nfs/dbraw/zinc/72/36/87/454723687.db2.gz HBUUYHWZOKHTCR-CQSZACIVSA-N 2 2 343.406 3.464 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868795 454726815 /nfs/dbraw/zinc/72/68/15/454726815.db2.gz QKDQRZDNSQHWCV-HUUCEWRRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868795 454726817 /nfs/dbraw/zinc/72/68/17/454726817.db2.gz QKDQRZDNSQHWCV-HUUCEWRRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(OC)c1 ZINC000152808053 454727961 /nfs/dbraw/zinc/72/79/61/454727961.db2.gz AHQQUGGBQWYEJK-AWEZNQCLSA-N 2 2 329.444 3.130 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)O[C@@H](C)C2 ZINC000093865714 454741071 /nfs/dbraw/zinc/74/10/71/454741071.db2.gz MNSYUDJKPZRKHD-KSSFIOAISA-N 2 2 340.423 3.067 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)O[C@@H](C)C2 ZINC000093865714 454741077 /nfs/dbraw/zinc/74/10/77/454741077.db2.gz MNSYUDJKPZRKHD-KSSFIOAISA-N 2 2 340.423 3.067 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009432 460652049 /nfs/dbraw/zinc/65/20/49/460652049.db2.gz GZIGEFSVTXNXPZ-HOJAQTOUSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009432 460652055 /nfs/dbraw/zinc/65/20/55/460652055.db2.gz GZIGEFSVTXNXPZ-HOJAQTOUSA-N 3 2 329.532 3.265 20 0 EGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000137080652 454768080 /nfs/dbraw/zinc/76/80/80/454768080.db2.gz DTYLYTKFWAYPDT-LLVKDONJSA-N 2 2 329.669 3.429 20 0 EGADLP Clc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000137080652 454768083 /nfs/dbraw/zinc/76/80/83/454768083.db2.gz DTYLYTKFWAYPDT-LLVKDONJSA-N 2 2 329.669 3.429 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000162919031 454809422 /nfs/dbraw/zinc/80/94/22/454809422.db2.gz BFJYBJSFELSYKH-INIZCTEOSA-N 2 2 336.443 3.205 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153672825 454819778 /nfs/dbraw/zinc/81/97/78/454819778.db2.gz HCOLTTSBZBKDEQ-MRXNPFEDSA-N 2 2 340.471 3.219 20 0 EGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc2ccccc2c1 ZINC000109793542 454836592 /nfs/dbraw/zinc/83/65/92/454836592.db2.gz OQVHXFVXLANCGN-UHFFFAOYSA-N 2 2 334.423 3.312 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793991 454836992 /nfs/dbraw/zinc/83/69/92/454836992.db2.gz MYRIJAVRFPQREF-ZDUSSCGKSA-N 2 2 332.835 3.201 20 0 EGADLP CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000163336463 454840017 /nfs/dbraw/zinc/84/00/17/454840017.db2.gz PVHKTYYHOATRTF-ZIAGYGMSSA-N 2 2 349.504 3.072 20 0 EGADLP CCS[C@H](C)c1noc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000163336463 454840022 /nfs/dbraw/zinc/84/00/22/454840022.db2.gz PVHKTYYHOATRTF-ZIAGYGMSSA-N 2 2 349.504 3.072 20 0 EGADLP C[N@H+](Cc1cccc(Cl)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257923 454844124 /nfs/dbraw/zinc/84/41/24/454844124.db2.gz NLAXAJDZSGTGNY-UHFFFAOYSA-N 2 2 344.890 3.269 20 0 EGADLP C[N@@H+](Cc1cccc(Cl)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257923 454844128 /nfs/dbraw/zinc/84/41/28/454844128.db2.gz NLAXAJDZSGTGNY-UHFFFAOYSA-N 2 2 344.890 3.269 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000154162854 454870893 /nfs/dbraw/zinc/87/08/93/454870893.db2.gz DHZOZEVQKKAUJS-SFHVURJKSA-N 2 2 339.439 3.099 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000154162854 454870897 /nfs/dbraw/zinc/87/08/97/454870897.db2.gz DHZOZEVQKKAUJS-SFHVURJKSA-N 2 2 339.439 3.099 20 0 EGADLP COCc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000126380175 454889825 /nfs/dbraw/zinc/88/98/25/454889825.db2.gz IYFMOOGCVCDTNF-OAHLLOKOSA-N 2 2 334.485 3.489 20 0 EGADLP COCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000126380175 454889827 /nfs/dbraw/zinc/88/98/27/454889827.db2.gz IYFMOOGCVCDTNF-OAHLLOKOSA-N 2 2 334.485 3.489 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150775279 454890554 /nfs/dbraw/zinc/89/05/54/454890554.db2.gz WBBJLRNNXMABDI-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150775279 454890556 /nfs/dbraw/zinc/89/05/56/454890556.db2.gz WBBJLRNNXMABDI-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cncs1 ZINC000126694078 454912313 /nfs/dbraw/zinc/91/23/13/454912313.db2.gz LWWIKTPAOTXKSI-KBPBESRZSA-N 2 2 348.491 3.446 20 0 EGADLP c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000178093029 454934458 /nfs/dbraw/zinc/93/44/58/454934458.db2.gz WMTKHOLCBUBULX-UHFFFAOYSA-N 2 2 334.467 3.360 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000178330742 454948491 /nfs/dbraw/zinc/94/84/91/454948491.db2.gz NCYYBIIMQFIMTI-GJZGRUSLSA-N 2 2 337.533 3.029 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)CCC2 ZINC000178330742 454948496 /nfs/dbraw/zinc/94/84/96/454948496.db2.gz NCYYBIIMQFIMTI-GJZGRUSLSA-N 2 2 337.533 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000151284749 454963176 /nfs/dbraw/zinc/96/31/76/454963176.db2.gz YENBUAHKRKYOSN-BEFAXECRSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000151284749 454963182 /nfs/dbraw/zinc/96/31/82/454963182.db2.gz YENBUAHKRKYOSN-BEFAXECRSA-N 2 2 349.482 3.029 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336420 454988491 /nfs/dbraw/zinc/98/84/91/454988491.db2.gz LEOYXLUAGKQLLP-LSTHTHJFSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336420 454988494 /nfs/dbraw/zinc/98/84/94/454988494.db2.gz LEOYXLUAGKQLLP-LSTHTHJFSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336633 454988539 /nfs/dbraw/zinc/98/85/39/454988539.db2.gz LEOYXLUAGKQLLP-NSISKUIASA-N 2 2 343.515 3.157 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336633 454988542 /nfs/dbraw/zinc/98/85/42/454988542.db2.gz LEOYXLUAGKQLLP-NSISKUIASA-N 2 2 343.515 3.157 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116395936 455054097 /nfs/dbraw/zinc/05/40/97/455054097.db2.gz BQBCWZZNMCLSDL-QAPCUYQASA-N 2 2 349.519 3.368 20 0 EGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccnc1Cl ZINC000116396053 455054916 /nfs/dbraw/zinc/05/49/16/455054916.db2.gz QDSVCQAOTAUXGO-OCCSQVGLSA-N 2 2 340.899 3.018 20 0 EGADLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c2cccc(F)c2n1 ZINC000128692056 455078001 /nfs/dbraw/zinc/07/80/01/455078001.db2.gz DFCVMESAWDCCCZ-UHFFFAOYSA-N 2 2 330.451 3.120 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000179884468 455093954 /nfs/dbraw/zinc/09/39/54/455093954.db2.gz HPYAWXJXNSHJLT-GOSISDBHSA-N 2 2 326.488 3.278 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000179884468 455093958 /nfs/dbraw/zinc/09/39/58/455093958.db2.gz HPYAWXJXNSHJLT-GOSISDBHSA-N 2 2 326.488 3.278 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000179884468 455093961 /nfs/dbraw/zinc/09/39/61/455093961.db2.gz HPYAWXJXNSHJLT-GOSISDBHSA-N 2 2 326.488 3.278 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000179884771 455094236 /nfs/dbraw/zinc/09/42/36/455094236.db2.gz KRJOWQNHRREDCS-QZTJIDSGSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000179884771 455094237 /nfs/dbraw/zinc/09/42/37/455094237.db2.gz KRJOWQNHRREDCS-QZTJIDSGSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000179884771 455094243 /nfs/dbraw/zinc/09/42/43/455094243.db2.gz KRJOWQNHRREDCS-QZTJIDSGSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000179884771 455094245 /nfs/dbraw/zinc/09/42/45/455094245.db2.gz KRJOWQNHRREDCS-QZTJIDSGSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000179884771 455094250 /nfs/dbraw/zinc/09/42/50/455094250.db2.gz KRJOWQNHRREDCS-QZTJIDSGSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000179884771 455094252 /nfs/dbraw/zinc/09/42/52/455094252.db2.gz KRJOWQNHRREDCS-QZTJIDSGSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843599 455114956 /nfs/dbraw/zinc/11/49/56/455114956.db2.gz XXIUSZVGSALANB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843599 455114958 /nfs/dbraw/zinc/11/49/58/455114958.db2.gz XXIUSZVGSALANB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843599 455114963 /nfs/dbraw/zinc/11/49/63/455114963.db2.gz XXIUSZVGSALANB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843599 455114965 /nfs/dbraw/zinc/11/49/65/455114965.db2.gz XXIUSZVGSALANB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C[NH2+]Cc1csc(COc2ccccc2)n1)Cn1cc[nH+]c1 ZINC000172116590 455124053 /nfs/dbraw/zinc/12/40/53/455124053.db2.gz BJCZZPUHUQOMFZ-OAHLLOKOSA-N 2 2 342.468 3.345 20 0 EGADLP CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000152476524 455125046 /nfs/dbraw/zinc/12/50/46/455125046.db2.gz KABXDXOSBQEWDD-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000152476524 455125048 /nfs/dbraw/zinc/12/50/48/455125048.db2.gz KABXDXOSBQEWDD-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000152476524 455125050 /nfs/dbraw/zinc/12/50/50/455125050.db2.gz KABXDXOSBQEWDD-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000152476524 455125053 /nfs/dbraw/zinc/12/50/53/455125053.db2.gz KABXDXOSBQEWDD-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000156511999 455127108 /nfs/dbraw/zinc/12/71/08/455127108.db2.gz VXVMCYVYWOAYCM-WMLDXEAASA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000156511999 455127110 /nfs/dbraw/zinc/12/71/10/455127110.db2.gz VXVMCYVYWOAYCM-WMLDXEAASA-N 2 2 346.862 3.367 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156522707 455127745 /nfs/dbraw/zinc/12/77/45/455127745.db2.gz GFLHMJDPZVYVDI-AOIWGVFYSA-N 2 2 344.503 3.161 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156522707 455127748 /nfs/dbraw/zinc/12/77/48/455127748.db2.gz GFLHMJDPZVYVDI-AOIWGVFYSA-N 2 2 344.503 3.161 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H](C)C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000156681478 455144056 /nfs/dbraw/zinc/14/40/56/455144056.db2.gz OVGIDJBZZLNMEF-UZLBHIALSA-N 2 2 332.488 3.237 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577231 455162436 /nfs/dbraw/zinc/16/24/36/455162436.db2.gz LKENWAMJXOPAAO-SFHVURJKSA-N 2 2 330.472 3.218 20 0 EGADLP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172577231 455162437 /nfs/dbraw/zinc/16/24/37/455162437.db2.gz LKENWAMJXOPAAO-SFHVURJKSA-N 2 2 330.472 3.218 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)C[NH+]1CCOCC1 ZINC000157130180 455166388 /nfs/dbraw/zinc/16/63/88/455166388.db2.gz MZYNSIWSXOVIFP-SJORKVTESA-N 2 2 334.504 3.483 20 0 EGADLP c1cn(CCC[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000182866836 455179746 /nfs/dbraw/zinc/17/97/46/455179746.db2.gz HBBQTTKMINXYJY-HNNXBMFYSA-N 2 2 330.501 3.488 20 0 EGADLP c1cn(CCC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000182866836 455179750 /nfs/dbraw/zinc/17/97/50/455179750.db2.gz HBBQTTKMINXYJY-HNNXBMFYSA-N 2 2 330.501 3.488 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414226 455291322 /nfs/dbraw/zinc/29/13/22/455291322.db2.gz CCFPRAPJWIWQCO-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414226 455291328 /nfs/dbraw/zinc/29/13/28/455291328.db2.gz CCFPRAPJWIWQCO-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414226 455291333 /nfs/dbraw/zinc/29/13/33/455291333.db2.gz CCFPRAPJWIWQCO-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414226 455291337 /nfs/dbraw/zinc/29/13/37/455291337.db2.gz CCFPRAPJWIWQCO-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423051 455294034 /nfs/dbraw/zinc/29/40/34/455294034.db2.gz JFPGYIICFHZJIN-IKGGRYGDSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423051 455294036 /nfs/dbraw/zinc/29/40/36/455294036.db2.gz JFPGYIICFHZJIN-IKGGRYGDSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423051 455294039 /nfs/dbraw/zinc/29/40/39/455294039.db2.gz JFPGYIICFHZJIN-IKGGRYGDSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423051 455294043 /nfs/dbraw/zinc/29/40/43/455294043.db2.gz JFPGYIICFHZJIN-IKGGRYGDSA-N 2 2 349.494 3.055 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443176 455301456 /nfs/dbraw/zinc/30/14/56/455301456.db2.gz IPOAXSKIIDELIU-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443176 455301459 /nfs/dbraw/zinc/30/14/59/455301459.db2.gz IPOAXSKIIDELIU-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443176 455301463 /nfs/dbraw/zinc/30/14/63/455301463.db2.gz IPOAXSKIIDELIU-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443176 455301466 /nfs/dbraw/zinc/30/14/66/455301466.db2.gz IPOAXSKIIDELIU-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442536 455301511 /nfs/dbraw/zinc/30/15/11/455301511.db2.gz ICLTZISYCBOUAQ-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442536 455301515 /nfs/dbraw/zinc/30/15/15/455301515.db2.gz ICLTZISYCBOUAQ-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442536 455301518 /nfs/dbraw/zinc/30/15/18/455301518.db2.gz ICLTZISYCBOUAQ-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442536 455301523 /nfs/dbraw/zinc/30/15/23/455301523.db2.gz ICLTZISYCBOUAQ-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000245463129 455307362 /nfs/dbraw/zinc/30/73/62/455307362.db2.gz XFGGZHHQDUHUKG-IAGOWNOFSA-N 2 2 347.503 3.076 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000245463129 455307368 /nfs/dbraw/zinc/30/73/68/455307368.db2.gz XFGGZHHQDUHUKG-IAGOWNOFSA-N 2 2 347.503 3.076 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1C ZINC000158615726 455316855 /nfs/dbraw/zinc/31/68/55/455316855.db2.gz VAAMJRIHPWJAOJ-CVEARBPZSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1C ZINC000158615726 455316860 /nfs/dbraw/zinc/31/68/60/455316860.db2.gz VAAMJRIHPWJAOJ-CVEARBPZSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1C ZINC000158615726 455316862 /nfs/dbraw/zinc/31/68/62/455316862.db2.gz VAAMJRIHPWJAOJ-CVEARBPZSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1C ZINC000158615726 455316867 /nfs/dbraw/zinc/31/68/67/455316867.db2.gz VAAMJRIHPWJAOJ-CVEARBPZSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1ccc2c(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000173637564 455320147 /nfs/dbraw/zinc/32/01/47/455320147.db2.gz HNOCUZREDKGZQX-KRWDZBQOSA-N 2 2 328.456 3.408 20 0 EGADLP Cc1ccc2c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000173637564 455320148 /nfs/dbraw/zinc/32/01/48/455320148.db2.gz HNOCUZREDKGZQX-KRWDZBQOSA-N 2 2 328.456 3.408 20 0 EGADLP Cc1ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cc(=O)oc2c1 ZINC000173637564 455320149 /nfs/dbraw/zinc/32/01/49/455320149.db2.gz HNOCUZREDKGZQX-KRWDZBQOSA-N 2 2 328.456 3.408 20 0 EGADLP Cc1ccc2c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cc(=O)oc2c1 ZINC000173637564 455320150 /nfs/dbraw/zinc/32/01/50/455320150.db2.gz HNOCUZREDKGZQX-KRWDZBQOSA-N 2 2 328.456 3.408 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000265429492 455323397 /nfs/dbraw/zinc/32/33/97/455323397.db2.gz GCRQFTULCZVRLS-UHFFFAOYSA-N 2 2 340.471 3.155 20 0 EGADLP CC(C)[C@H]1CC[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000245536268 455323937 /nfs/dbraw/zinc/32/39/37/455323937.db2.gz ZIQDQLHYEHEGHB-IYARVYRRSA-N 2 2 349.563 3.124 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730160 455326011 /nfs/dbraw/zinc/32/60/11/455326011.db2.gz XXRZZPYTEUZZOC-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730160 455326015 /nfs/dbraw/zinc/32/60/15/455326015.db2.gz XXRZZPYTEUZZOC-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730160 455326017 /nfs/dbraw/zinc/32/60/17/455326017.db2.gz XXRZZPYTEUZZOC-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730160 455326021 /nfs/dbraw/zinc/32/60/21/455326021.db2.gz XXRZZPYTEUZZOC-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000158847980 455332271 /nfs/dbraw/zinc/33/22/71/455332271.db2.gz FJSWJMZRRIXESD-HNNXBMFYSA-N 2 2 332.492 3.424 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000158847980 455332274 /nfs/dbraw/zinc/33/22/74/455332274.db2.gz FJSWJMZRRIXESD-HNNXBMFYSA-N 2 2 332.492 3.424 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000181753914 455379565 /nfs/dbraw/zinc/37/95/65/455379565.db2.gz GMDHLTWSISGELT-NMLBUPMWSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000181753914 455379568 /nfs/dbraw/zinc/37/95/68/455379568.db2.gz GMDHLTWSISGELT-NMLBUPMWSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@H]2CCCO[C@H]21 ZINC000245869201 455389683 /nfs/dbraw/zinc/38/96/83/455389683.db2.gz JBZAPGGYWNGGNP-GUDVDZBRSA-N 2 2 325.456 3.225 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181959461 455404679 /nfs/dbraw/zinc/40/46/79/455404679.db2.gz AROMSCQOSSJRRN-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181959461 455404683 /nfs/dbraw/zinc/40/46/83/455404683.db2.gz AROMSCQOSSJRRN-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1(C)C ZINC000182054704 455425441 /nfs/dbraw/zinc/42/54/41/455425441.db2.gz SBLBLHZWSWLGID-IPELMVKDSA-N 2 2 331.504 3.400 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000246119327 455431116 /nfs/dbraw/zinc/43/11/16/455431116.db2.gz CWNMKOYQQYWFNE-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000246119327 455431120 /nfs/dbraw/zinc/43/11/20/455431120.db2.gz CWNMKOYQQYWFNE-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260253 455459644 /nfs/dbraw/zinc/45/96/44/455459644.db2.gz YEZNTUXVYCOPQD-HOTGVXAUSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260253 455459649 /nfs/dbraw/zinc/45/96/49/455459649.db2.gz YEZNTUXVYCOPQD-HOTGVXAUSA-N 2 2 349.906 3.393 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000246384305 455480864 /nfs/dbraw/zinc/48/08/64/455480864.db2.gz AFBCIPZELCJBAP-MJGOQNOKSA-N 2 2 344.499 3.379 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000246492488 455501414 /nfs/dbraw/zinc/50/14/14/455501414.db2.gz RURBKQCUQZLRCT-SJORKVTESA-N 2 2 347.507 3.014 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000246492488 455501416 /nfs/dbraw/zinc/50/14/16/455501416.db2.gz RURBKQCUQZLRCT-SJORKVTESA-N 2 2 347.507 3.014 20 0 EGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000185168595 455515213 /nfs/dbraw/zinc/51/52/13/455515213.db2.gz NPUVYNQIIBDKSM-UHFFFAOYSA-N 3 2 326.488 3.278 20 0 EGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000185168595 455515219 /nfs/dbraw/zinc/51/52/19/455515219.db2.gz NPUVYNQIIBDKSM-UHFFFAOYSA-N 3 2 326.488 3.278 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833365 455524288 /nfs/dbraw/zinc/52/42/88/455524288.db2.gz TXRGOSTXUUQPBN-RTBURBONSA-N 2 2 346.515 3.213 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833365 455524293 /nfs/dbraw/zinc/52/42/93/455524293.db2.gz TXRGOSTXUUQPBN-RTBURBONSA-N 2 2 346.515 3.213 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889633 455533152 /nfs/dbraw/zinc/53/31/52/455533152.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889633 455533156 /nfs/dbraw/zinc/53/31/56/455533156.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246889633 455533158 /nfs/dbraw/zinc/53/31/58/455533158.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246889633 455533161 /nfs/dbraw/zinc/53/31/61/455533161.db2.gz DSUNOAMJWIFKFP-QIYLELGZSA-N 3 2 329.532 3.215 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247025128 455545703 /nfs/dbraw/zinc/54/57/03/455545703.db2.gz DJSLLUHBKWITAN-AYBZRNKSSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247025128 455545706 /nfs/dbraw/zinc/54/57/06/455545706.db2.gz DJSLLUHBKWITAN-AYBZRNKSSA-N 2 2 340.471 3.410 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000185489881 455565602 /nfs/dbraw/zinc/56/56/02/455565602.db2.gz ITAUYSQEKKFXCU-HNNXBMFYSA-N 2 2 326.469 3.275 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000247183513 455570005 /nfs/dbraw/zinc/57/00/05/455570005.db2.gz VJEFHMBXCLWNCA-GHTZIAJQSA-N 2 2 338.499 3.018 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000247183513 455570007 /nfs/dbraw/zinc/57/00/07/455570007.db2.gz VJEFHMBXCLWNCA-GHTZIAJQSA-N 2 2 338.499 3.018 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356273 455591380 /nfs/dbraw/zinc/59/13/80/455591380.db2.gz PUSPQVOMNNVCGQ-MSOLQXFVSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356273 455591381 /nfs/dbraw/zinc/59/13/81/455591381.db2.gz PUSPQVOMNNVCGQ-MSOLQXFVSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356273 455591384 /nfs/dbraw/zinc/59/13/84/455591384.db2.gz PUSPQVOMNNVCGQ-MSOLQXFVSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356273 455591386 /nfs/dbraw/zinc/59/13/86/455591386.db2.gz PUSPQVOMNNVCGQ-MSOLQXFVSA-N 2 2 337.552 3.220 20 0 EGADLP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000185677398 455594012 /nfs/dbraw/zinc/59/40/12/455594012.db2.gz DSLJEPBJZGJBPA-YWZLYKJASA-N 2 2 326.440 3.239 20 0 EGADLP C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677500 455594578 /nfs/dbraw/zinc/59/45/78/455594578.db2.gz IFKBEMVZEBKWGU-QRFRQXIXSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677500 455594581 /nfs/dbraw/zinc/59/45/81/455594581.db2.gz IFKBEMVZEBKWGU-QRFRQXIXSA-N 2 2 343.515 3.059 20 0 EGADLP CCC(CC)(CNC(=O)C=Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000283936318 455613984 /nfs/dbraw/zinc/61/39/84/455613984.db2.gz KOQMJVKCKPBGLX-PCUGXKRQSA-N 2 2 340.471 3.449 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755969 455615479 /nfs/dbraw/zinc/61/54/79/455615479.db2.gz TWDQVORGSCYPOO-KBPBESRZSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755969 455615485 /nfs/dbraw/zinc/61/54/85/455615485.db2.gz TWDQVORGSCYPOO-KBPBESRZSA-N 2 2 330.432 3.072 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C(=O)OC)CC1)Cc1ccccc1 ZINC000192438972 455615937 /nfs/dbraw/zinc/61/59/37/455615937.db2.gz NFYFVDAYQABTHD-SOAGJPPSSA-N 2 2 346.515 3.261 20 0 EGADLP Fc1cccc(Br)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000192469921 455624617 /nfs/dbraw/zinc/62/46/17/455624617.db2.gz QSPZRUUYFYFCMW-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Fc1cccc(Br)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000192469921 455624621 /nfs/dbraw/zinc/62/46/21/455624621.db2.gz QSPZRUUYFYFCMW-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247672072 455636173 /nfs/dbraw/zinc/63/61/73/455636173.db2.gz QYWVTOKDILETNP-RYRKJORJSA-N 2 2 326.444 3.102 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247672072 455636175 /nfs/dbraw/zinc/63/61/75/455636175.db2.gz QYWVTOKDILETNP-RYRKJORJSA-N 2 2 326.444 3.102 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC000284137869 455640795 /nfs/dbraw/zinc/64/07/95/455640795.db2.gz VWAFFZFCOUSUNI-SCOAYWHSSA-N 2 2 338.455 3.203 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000192591488 455648292 /nfs/dbraw/zinc/64/82/92/455648292.db2.gz MZGFZIDHZUQWRN-CQSZACIVSA-N 2 2 331.416 3.019 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998766 455667348 /nfs/dbraw/zinc/66/73/48/455667348.db2.gz KDXDQRYRMCDUOG-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998766 455667353 /nfs/dbraw/zinc/66/73/53/455667353.db2.gz KDXDQRYRMCDUOG-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998766 455667357 /nfs/dbraw/zinc/66/73/57/455667357.db2.gz KDXDQRYRMCDUOG-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998766 455667363 /nfs/dbraw/zinc/66/73/63/455667363.db2.gz KDXDQRYRMCDUOG-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)C(F)(F)F ZINC000271538646 455677625 /nfs/dbraw/zinc/67/76/25/455677625.db2.gz QOAXYENENLPLJU-ORQFMDKSSA-N 2 2 344.421 3.331 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H](O)C(F)(F)F ZINC000271538646 455677627 /nfs/dbraw/zinc/67/76/27/455677627.db2.gz QOAXYENENLPLJU-ORQFMDKSSA-N 2 2 344.421 3.331 20 0 EGADLP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)OC ZINC000192847014 455706158 /nfs/dbraw/zinc/70/61/58/455706158.db2.gz RBVDNOSZROGVHO-KRWDZBQOSA-N 2 2 338.879 3.093 20 0 EGADLP C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192940105 455722653 /nfs/dbraw/zinc/72/26/53/455722653.db2.gz ZGXFXEFTDKDIGD-APWZRJJASA-N 2 2 329.444 3.109 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924650 455732317 /nfs/dbraw/zinc/73/23/17/455732317.db2.gz PQXPUBAKRYTVKJ-FPOVZHCZSA-N 2 2 341.499 3.135 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924650 455732325 /nfs/dbraw/zinc/73/23/25/455732325.db2.gz PQXPUBAKRYTVKJ-FPOVZHCZSA-N 2 2 341.499 3.135 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000271774140 455755021 /nfs/dbraw/zinc/75/50/21/455755021.db2.gz FSEJCDCAUNQRHK-CQSZACIVSA-N 2 2 338.879 3.408 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)oc1C ZINC000292958034 455767435 /nfs/dbraw/zinc/76/74/35/455767435.db2.gz OWYJBAQHMPPELT-DVOMOZLQSA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)oc1C ZINC000292958034 455767441 /nfs/dbraw/zinc/76/74/41/455767441.db2.gz OWYJBAQHMPPELT-DVOMOZLQSA-N 2 2 331.416 3.215 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C)no2)CC1 ZINC000271826331 455776097 /nfs/dbraw/zinc/77/60/97/455776097.db2.gz QYVBXCOMNNZDFI-OAHLLOKOSA-N 2 2 346.450 3.115 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354505 455826387 /nfs/dbraw/zinc/82/63/87/455826387.db2.gz AZZDZEWQZFUVNI-MSOLQXFVSA-N 3 2 342.487 3.024 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354505 455826392 /nfs/dbraw/zinc/82/63/92/455826392.db2.gz AZZDZEWQZFUVNI-MSOLQXFVSA-N 3 2 342.487 3.024 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253358560 455834947 /nfs/dbraw/zinc/83/49/47/455834947.db2.gz PQHGXXBZAZXJRJ-UNMCSNQZSA-N 2 2 336.479 3.073 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000253358560 455834951 /nfs/dbraw/zinc/83/49/51/455834951.db2.gz PQHGXXBZAZXJRJ-UNMCSNQZSA-N 2 2 336.479 3.073 20 0 EGADLP Cc1ccncc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272197138 455874355 /nfs/dbraw/zinc/87/43/55/455874355.db2.gz IJRKZSFVGHWUKU-WBVHZDCISA-N 2 2 325.460 3.098 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@@H+]1C ZINC000285745372 455907470 /nfs/dbraw/zinc/90/74/70/455907470.db2.gz RQABRKSTHDHZFZ-ONGXEEELSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@H+]1C ZINC000285745372 455907472 /nfs/dbraw/zinc/90/74/72/455907472.db2.gz RQABRKSTHDHZFZ-ONGXEEELSA-N 2 2 333.220 3.300 20 0 EGADLP CC(C)(C)Oc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000272304999 455907964 /nfs/dbraw/zinc/90/79/64/455907964.db2.gz HQGPHWIDHMDFEJ-UHFFFAOYSA-N 2 2 340.471 3.413 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Br)C[C@@H]12 ZINC000261561647 455909318 /nfs/dbraw/zinc/90/93/18/455909318.db2.gz GBVQTEHSTMFAAL-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Br)C[C@@H]12 ZINC000261561647 455909323 /nfs/dbraw/zinc/90/93/23/455909323.db2.gz GBVQTEHSTMFAAL-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261601395 455910057 /nfs/dbraw/zinc/91/00/57/455910057.db2.gz AKAMPWXPVNCCIE-KYJSFNMBSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261601395 455910062 /nfs/dbraw/zinc/91/00/62/455910062.db2.gz AKAMPWXPVNCCIE-KYJSFNMBSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@H]1COCC[C@@H]1[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104920 455922325 /nfs/dbraw/zinc/92/23/25/455922325.db2.gz MUKKSINCLXJTQJ-JXFKEZNVSA-N 2 2 331.504 3.302 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663033 455923929 /nfs/dbraw/zinc/92/39/29/455923929.db2.gz IJUIUMJHYYZRJI-GHTZIAJQSA-N 2 2 348.450 3.497 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663033 455923935 /nfs/dbraw/zinc/92/39/35/455923935.db2.gz IJUIUMJHYYZRJI-GHTZIAJQSA-N 2 2 348.450 3.497 20 0 EGADLP CCCc1noc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270322196 455928262 /nfs/dbraw/zinc/92/82/62/455928262.db2.gz KIHUHUPMCXOXOT-HNNXBMFYSA-N 2 2 339.443 3.345 20 0 EGADLP CCCc1noc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270322196 455928268 /nfs/dbraw/zinc/92/82/68/455928268.db2.gz KIHUHUPMCXOXOT-HNNXBMFYSA-N 2 2 339.443 3.345 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Br)ncc1F ZINC000296402283 455928462 /nfs/dbraw/zinc/92/84/62/455928462.db2.gz KPQLSAABCRLMAM-WAAKLRNESA-N 2 2 342.256 3.259 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Br)ncc1F ZINC000296402283 455928464 /nfs/dbraw/zinc/92/84/64/455928464.db2.gz KPQLSAABCRLMAM-WAAKLRNESA-N 2 2 342.256 3.259 20 0 EGADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187706142 455941873 /nfs/dbraw/zinc/94/18/73/455941873.db2.gz NSMRKPPYQHFYEG-LJQANCHMSA-N 2 2 338.430 3.490 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000195396473 455955927 /nfs/dbraw/zinc/95/59/27/455955927.db2.gz HOGINOFISSZYDW-UHFFFAOYSA-N 2 2 344.846 3.339 20 0 EGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cn1 ZINC000280380261 455959738 /nfs/dbraw/zinc/95/97/38/455959738.db2.gz KZWQPKUXKPSYGH-GXTWGEPZSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cn1 ZINC000280380261 455959741 /nfs/dbraw/zinc/95/97/41/455959741.db2.gz KZWQPKUXKPSYGH-GXTWGEPZSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H](O)c1ccc(F)cc1 ZINC000272513040 455977853 /nfs/dbraw/zinc/97/78/53/455977853.db2.gz GQQWVIQHDFADRF-LRDDRELGSA-N 2 2 348.384 3.254 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262000923 455983671 /nfs/dbraw/zinc/98/36/71/455983671.db2.gz UCIZIGYHSBGDCT-FQEVSTJZSA-N 2 2 341.503 3.312 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262000923 455983675 /nfs/dbraw/zinc/98/36/75/455983675.db2.gz UCIZIGYHSBGDCT-FQEVSTJZSA-N 2 2 341.503 3.312 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188068809 455990938 /nfs/dbraw/zinc/99/09/38/455990938.db2.gz JHDJVIYYVOJLAY-QGZVFWFLSA-N 2 2 327.407 3.213 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@H]1[NH3+] ZINC000262130374 456001847 /nfs/dbraw/zinc/00/18/47/456001847.db2.gz YBZABLQAQMKOSP-FZKQIMNGSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@H]1[NH3+] ZINC000262130374 456001855 /nfs/dbraw/zinc/00/18/55/456001855.db2.gz YBZABLQAQMKOSP-FZKQIMNGSA-N 2 2 343.858 3.371 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700087 456044673 /nfs/dbraw/zinc/04/46/73/456044673.db2.gz YLNUOTFMUNBUEL-FXAWDEMLSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700087 456044674 /nfs/dbraw/zinc/04/46/74/456044674.db2.gz YLNUOTFMUNBUEL-FXAWDEMLSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700087 456044676 /nfs/dbraw/zinc/04/46/76/456044676.db2.gz YLNUOTFMUNBUEL-FXAWDEMLSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCc3ccccn3)[C@@H]2C1 ZINC000272700087 456044678 /nfs/dbraw/zinc/04/46/78/456044678.db2.gz YLNUOTFMUNBUEL-FXAWDEMLSA-N 2 2 337.467 3.187 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000296838015 456049396 /nfs/dbraw/zinc/04/93/96/456049396.db2.gz XAINYBURYOTEDS-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000296838015 456049399 /nfs/dbraw/zinc/04/93/99/456049399.db2.gz XAINYBURYOTEDS-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1Cl ZINC000296838015 456049401 /nfs/dbraw/zinc/04/94/01/456049401.db2.gz XAINYBURYOTEDS-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000296838015 456049407 /nfs/dbraw/zinc/04/94/07/456049407.db2.gz XAINYBURYOTEDS-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000272741942 456057927 /nfs/dbraw/zinc/05/79/27/456057927.db2.gz LEPYMOGBGULCJL-KDOFPFPSSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cs1 ZINC000272741942 456057932 /nfs/dbraw/zinc/05/79/32/456057932.db2.gz LEPYMOGBGULCJL-KDOFPFPSSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933521 456116715 /nfs/dbraw/zinc/11/67/15/456116715.db2.gz KGBOSPRNDQKMIS-MRXNPFEDSA-N 2 2 339.361 3.284 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272933521 456116720 /nfs/dbraw/zinc/11/67/20/456116720.db2.gz KGBOSPRNDQKMIS-MRXNPFEDSA-N 2 2 339.361 3.284 20 0 EGADLP c1nc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301471569 456124383 /nfs/dbraw/zinc/12/43/83/456124383.db2.gz PKILIAHDARMDIP-QGZVFWFLSA-N 2 2 329.492 3.143 20 0 EGADLP c1nc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301471569 456124389 /nfs/dbraw/zinc/12/43/89/456124389.db2.gz PKILIAHDARMDIP-QGZVFWFLSA-N 2 2 329.492 3.143 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1ccc(Br)cc1C(F)(F)F ZINC000229506546 456129274 /nfs/dbraw/zinc/12/92/74/456129274.db2.gz KFBDUBHHWRGPGC-UHFFFAOYSA-N 2 2 325.172 3.249 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1ccc(Br)cc1C(F)(F)F ZINC000229506546 456129281 /nfs/dbraw/zinc/12/92/81/456129281.db2.gz KFBDUBHHWRGPGC-UHFFFAOYSA-N 2 2 325.172 3.249 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271133952 456137065 /nfs/dbraw/zinc/13/70/65/456137065.db2.gz NWPUABXUHJKVLG-APWZRJJASA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271133952 456137072 /nfs/dbraw/zinc/13/70/72/456137072.db2.gz NWPUABXUHJKVLG-APWZRJJASA-N 2 2 338.455 3.422 20 0 EGADLP Fc1cncc([C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C2CC2)c1 ZINC000281149087 456146289 /nfs/dbraw/zinc/14/62/89/456146289.db2.gz GMVRLBNTUWTATD-HXUWFJFHSA-N 2 2 340.446 3.321 20 0 EGADLP CCc1nnc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000333024821 456147813 /nfs/dbraw/zinc/14/78/13/456147813.db2.gz KJJUSXHNOYNECG-CYBMUJFWSA-N 2 2 329.448 3.105 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000297296065 456176427 /nfs/dbraw/zinc/17/64/27/456176427.db2.gz MBCDPYWGPAMQIV-PBHICJAKSA-N 2 2 341.459 3.281 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000236777987 456181688 /nfs/dbraw/zinc/18/16/88/456181688.db2.gz MEIHSFCIIOQOFJ-YOEHRIQHSA-N 2 2 337.895 3.063 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c(C)[nH+]1 ZINC000301678398 456183262 /nfs/dbraw/zinc/18/32/62/456183262.db2.gz INCZBTHKLRMKAW-UHFFFAOYSA-N 2 2 330.863 3.377 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000237082663 456229159 /nfs/dbraw/zinc/22/91/59/456229159.db2.gz WUCUUJXWSMYESV-LJQANCHMSA-N 2 2 338.499 3.409 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000237082663 456229163 /nfs/dbraw/zinc/22/91/63/456229163.db2.gz WUCUUJXWSMYESV-LJQANCHMSA-N 2 2 338.499 3.409 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000620649699 460719623 /nfs/dbraw/zinc/71/96/23/460719623.db2.gz ANWNQMSVTXCWOI-OAHLLOKOSA-N 2 2 334.423 3.028 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000620649699 460719629 /nfs/dbraw/zinc/71/96/29/460719629.db2.gz ANWNQMSVTXCWOI-OAHLLOKOSA-N 2 2 334.423 3.028 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301863130 456235873 /nfs/dbraw/zinc/23/58/73/456235873.db2.gz AQORVSINDGUHMX-OAHLLOKOSA-N 2 2 344.507 3.361 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301863130 456235877 /nfs/dbraw/zinc/23/58/77/456235877.db2.gz AQORVSINDGUHMX-OAHLLOKOSA-N 2 2 344.507 3.361 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+](C)CCC[NH+]3CCCC3)c2cc1C ZINC000281493892 456248272 /nfs/dbraw/zinc/24/82/72/456248272.db2.gz XPTAIQUKUDEYEX-UHFFFAOYSA-N 2 2 328.456 3.328 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+](C)CCC[NH+]3CCCC3)c2cc1C ZINC000281493892 456248275 /nfs/dbraw/zinc/24/82/75/456248275.db2.gz XPTAIQUKUDEYEX-UHFFFAOYSA-N 2 2 328.456 3.328 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1cc[nH+]c1 ZINC000189208242 456255275 /nfs/dbraw/zinc/25/52/75/456255275.db2.gz UTJKNIKCCOLVML-KXBFYZLASA-N 2 2 339.418 3.291 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C[C@@H]1n1cc[nH+]c1 ZINC000189208242 456255279 /nfs/dbraw/zinc/25/52/79/456255279.db2.gz UTJKNIKCCOLVML-KXBFYZLASA-N 2 2 339.418 3.291 20 0 EGADLP CC(C)c1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000333829073 456267203 /nfs/dbraw/zinc/26/72/03/456267203.db2.gz JCEFULONQQSYOO-QAPCUYQASA-N 2 2 332.492 3.056 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352765429 456287771 /nfs/dbraw/zinc/28/77/71/456287771.db2.gz KKJPTPWQRNCFSF-NVXWUHKLSA-N 3 2 338.565 3.195 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352767755 456289405 /nfs/dbraw/zinc/28/94/05/456289405.db2.gz CZFVKVLUDVUHAK-HOTGVXAUSA-N 3 2 338.565 3.052 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)N2CCCC2)o1 ZINC000352771811 456291795 /nfs/dbraw/zinc/29/17/95/456291795.db2.gz OLFWTTNFQLEPNR-MRXNPFEDSA-N 2 2 348.516 3.033 20 0 EGADLP Cc1ccc([C@@H](CNCc2ncc(C[NH+](C)C)s2)[NH+]2CCCC2)o1 ZINC000352771811 456291800 /nfs/dbraw/zinc/29/18/00/456291800.db2.gz OLFWTTNFQLEPNR-MRXNPFEDSA-N 2 2 348.516 3.033 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340175159 456292400 /nfs/dbraw/zinc/29/24/00/456292400.db2.gz JUQVFMWIUAFPPW-UYAOXDASSA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340175159 456292405 /nfs/dbraw/zinc/29/24/05/456292405.db2.gz JUQVFMWIUAFPPW-UYAOXDASSA-N 2 2 347.466 3.192 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792927 456295884 /nfs/dbraw/zinc/29/58/84/456295884.db2.gz NGYBNIKMCVBTER-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792927 456295888 /nfs/dbraw/zinc/29/58/88/456295888.db2.gz NGYBNIKMCVBTER-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792927 456295895 /nfs/dbraw/zinc/29/58/95/456295895.db2.gz NGYBNIKMCVBTER-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792927 456295900 /nfs/dbraw/zinc/29/59/00/456295900.db2.gz NGYBNIKMCVBTER-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223360 456323919 /nfs/dbraw/zinc/32/39/19/456323919.db2.gz RVVGMQFUXKUPON-OXJNMPFZSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223360 456323925 /nfs/dbraw/zinc/32/39/25/456323925.db2.gz RVVGMQFUXKUPON-OXJNMPFZSA-N 2 2 343.515 3.157 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817838 456333002 /nfs/dbraw/zinc/33/30/02/456333002.db2.gz SAMUSZHGGZWEKV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817838 456333009 /nfs/dbraw/zinc/33/30/09/456333009.db2.gz SAMUSZHGGZWEKV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817838 456333018 /nfs/dbraw/zinc/33/30/18/456333018.db2.gz SAMUSZHGGZWEKV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817838 456333023 /nfs/dbraw/zinc/33/30/23/456333023.db2.gz SAMUSZHGGZWEKV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000337274595 456342947 /nfs/dbraw/zinc/34/29/47/456342947.db2.gz PVELUXKBRSDIAF-SFHVURJKSA-N 2 2 331.504 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1 ZINC000337274595 456342954 /nfs/dbraw/zinc/34/29/54/456342954.db2.gz PVELUXKBRSDIAF-SFHVURJKSA-N 2 2 331.504 3.357 20 0 EGADLP COc1sc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290548895 456361429 /nfs/dbraw/zinc/36/14/29/456361429.db2.gz RRTAXTRBZHNLKJ-GWCFXTLKSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290548895 456361435 /nfs/dbraw/zinc/36/14/35/456361435.db2.gz RRTAXTRBZHNLKJ-GWCFXTLKSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000290548895 456361439 /nfs/dbraw/zinc/36/14/39/456361439.db2.gz RRTAXTRBZHNLKJ-GWCFXTLKSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000290548895 456361446 /nfs/dbraw/zinc/36/14/46/456361446.db2.gz RRTAXTRBZHNLKJ-GWCFXTLKSA-N 2 2 347.322 3.291 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302862134 456418863 /nfs/dbraw/zinc/41/88/63/456418863.db2.gz VXAVOPLTMJSMQZ-AEFFLSMTSA-N 2 2 337.471 3.009 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352967098 456426705 /nfs/dbraw/zinc/42/67/05/456426705.db2.gz KSVRLHOIGDXVRB-ZIBATOQPSA-N 2 2 344.425 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352967098 456426707 /nfs/dbraw/zinc/42/67/07/456426707.db2.gz KSVRLHOIGDXVRB-ZIBATOQPSA-N 2 2 344.425 3.196 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913986 456435665 /nfs/dbraw/zinc/43/56/65/456435665.db2.gz UWYZLYYOFMASMA-ZWKOTPCHSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913986 456435672 /nfs/dbraw/zinc/43/56/72/456435672.db2.gz UWYZLYYOFMASMA-ZWKOTPCHSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913986 456435680 /nfs/dbraw/zinc/43/56/80/456435680.db2.gz UWYZLYYOFMASMA-ZWKOTPCHSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913986 456435685 /nfs/dbraw/zinc/43/56/85/456435685.db2.gz UWYZLYYOFMASMA-ZWKOTPCHSA-N 2 2 343.519 3.168 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256731 456487368 /nfs/dbraw/zinc/48/73/68/456487368.db2.gz PXAYVWRVNNNWGM-GHTZIAJQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256731 456487373 /nfs/dbraw/zinc/48/73/73/456487373.db2.gz PXAYVWRVNNNWGM-GHTZIAJQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077637 456520215 /nfs/dbraw/zinc/52/02/15/456520215.db2.gz GEGASEIJQONLAC-IKGGRYGDSA-N 2 2 342.405 3.297 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077637 456520218 /nfs/dbraw/zinc/52/02/18/456520218.db2.gz GEGASEIJQONLAC-IKGGRYGDSA-N 2 2 342.405 3.297 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077637 456520226 /nfs/dbraw/zinc/52/02/26/456520226.db2.gz GEGASEIJQONLAC-IKGGRYGDSA-N 2 2 342.405 3.297 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077637 456520229 /nfs/dbraw/zinc/52/02/29/456520229.db2.gz GEGASEIJQONLAC-IKGGRYGDSA-N 2 2 342.405 3.297 20 0 EGADLP CC(C)[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1[nH]cc[nH+]1 ZINC000276624615 456533920 /nfs/dbraw/zinc/53/39/20/456533920.db2.gz ONWDKNHXTBJCIM-QGZVFWFLSA-N 2 2 326.444 3.133 20 0 EGADLP OCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000305817454 456562438 /nfs/dbraw/zinc/56/24/38/456562438.db2.gz ALYAXAGZKNUXMO-MRXNPFEDSA-N 2 2 336.442 3.324 20 0 EGADLP Cc1ccn2cc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)nc2c1 ZINC000291221033 456568904 /nfs/dbraw/zinc/56/89/04/456568904.db2.gz SFTDQHLQUMXAQA-UHFFFAOYSA-N 2 2 340.393 3.149 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282736120 456607928 /nfs/dbraw/zinc/60/79/28/456607928.db2.gz FDGWRGVWDPSDOM-UXHICEINSA-N 2 2 338.499 3.454 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282736120 456607931 /nfs/dbraw/zinc/60/79/31/456607931.db2.gz FDGWRGVWDPSDOM-UXHICEINSA-N 2 2 338.499 3.454 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282736120 456607939 /nfs/dbraw/zinc/60/79/39/456607939.db2.gz FDGWRGVWDPSDOM-UXHICEINSA-N 2 2 338.499 3.454 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282736120 456607944 /nfs/dbraw/zinc/60/79/44/456607944.db2.gz FDGWRGVWDPSDOM-UXHICEINSA-N 2 2 338.499 3.454 20 0 EGADLP C[C@@H](c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276881467 456609331 /nfs/dbraw/zinc/60/93/31/456609331.db2.gz GGHYHNXIPCFAAX-MCIONIFRSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276992122 456643885 /nfs/dbraw/zinc/64/38/85/456643885.db2.gz XPAUGTGZTORJGI-MCIONIFRSA-N 2 2 338.415 3.251 20 0 EGADLP CC(C)Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282863861 456649371 /nfs/dbraw/zinc/64/93/71/456649371.db2.gz XLRGSMQTLHRYBY-GOSISDBHSA-N 2 2 341.503 3.452 20 0 EGADLP CC(C)Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282863861 456649378 /nfs/dbraw/zinc/64/93/78/456649378.db2.gz XLRGSMQTLHRYBY-GOSISDBHSA-N 2 2 341.503 3.452 20 0 EGADLP CCOC(=O)C[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccccc1 ZINC000353365163 456649973 /nfs/dbraw/zinc/64/99/73/456649973.db2.gz UAESTNLETXCDEU-UHFFFAOYSA-N 2 2 326.440 3.388 20 0 EGADLP CCOC(=O)C[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccccc1 ZINC000353365163 456649979 /nfs/dbraw/zinc/64/99/79/456649979.db2.gz UAESTNLETXCDEU-UHFFFAOYSA-N 2 2 326.440 3.388 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)[C@@H]1SC ZINC000291506946 456663702 /nfs/dbraw/zinc/66/37/02/456663702.db2.gz WOUMIHOFNWNZEG-FZDIXFNVSA-N 2 2 349.544 3.106 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000282952074 456673137 /nfs/dbraw/zinc/67/31/37/456673137.db2.gz HEWAMLPHYFPWNJ-XLIONFOSSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000282952074 456673140 /nfs/dbraw/zinc/67/31/40/456673140.db2.gz HEWAMLPHYFPWNJ-XLIONFOSSA-N 3 2 326.488 3.082 20 0 EGADLP C[C@@H]1[C@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000338175194 456685469 /nfs/dbraw/zinc/68/54/69/456685469.db2.gz HJBOYJZXHZLWJB-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1[C@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000338175194 456685474 /nfs/dbraw/zinc/68/54/74/456685474.db2.gz HJBOYJZXHZLWJB-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@H]1CCC[N@H+](C)C1 ZINC000338184533 456691106 /nfs/dbraw/zinc/69/11/06/456691106.db2.gz CQFSEQYPODKAKS-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000338184533 456691113 /nfs/dbraw/zinc/69/11/13/456691113.db2.gz CQFSEQYPODKAKS-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP c1cn([C@@H]2CCc3ccccc3[C@H]2[NH2+]Cc2c[nH]c3nccnc23)c[nH+]1 ZINC000291697405 456723879 /nfs/dbraw/zinc/72/38/79/456723879.db2.gz YRCVKQNZMQIXGQ-IEBWSBKVSA-N 2 2 344.422 3.173 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343601995 456737060 /nfs/dbraw/zinc/73/70/60/456737060.db2.gz MXRQDKGJEAPVAW-SLYNCCJLSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343601995 456737066 /nfs/dbraw/zinc/73/70/66/456737066.db2.gz MXRQDKGJEAPVAW-SLYNCCJLSA-N 2 2 345.531 3.070 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348541348 456751973 /nfs/dbraw/zinc/75/19/73/456751973.db2.gz VXZZZGZYQQWQDL-ZIAGYGMSSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348541348 456751979 /nfs/dbraw/zinc/75/19/79/456751979.db2.gz VXZZZGZYQQWQDL-ZIAGYGMSSA-N 2 2 344.484 3.338 20 0 EGADLP CCN(C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCCC1 ZINC000353554384 456756643 /nfs/dbraw/zinc/75/66/43/456756643.db2.gz JXLDMWSITJJLJP-UHFFFAOYSA-N 2 2 349.519 3.215 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1)C1CCCCC1 ZINC000353554384 456756647 /nfs/dbraw/zinc/75/66/47/456756647.db2.gz JXLDMWSITJJLJP-UHFFFAOYSA-N 2 2 349.519 3.215 20 0 EGADLP CCN(C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1)C1CCCCC1 ZINC000353554384 456756653 /nfs/dbraw/zinc/75/66/53/456756653.db2.gz JXLDMWSITJJLJP-UHFFFAOYSA-N 2 2 349.519 3.215 20 0 EGADLP C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc2[nH+]ccn21 ZINC000348630738 456787697 /nfs/dbraw/zinc/78/76/97/456787697.db2.gz ALTJMKYXQCOTIB-UHFFFAOYSA-N 2 2 333.395 3.059 20 0 EGADLP C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc2[nH+]ccn21 ZINC000348630738 456787702 /nfs/dbraw/zinc/78/77/02/456787702.db2.gz ALTJMKYXQCOTIB-UHFFFAOYSA-N 2 2 333.395 3.059 20 0 EGADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc(C(C)C)[nH+]1 ZINC000301071330 456790005 /nfs/dbraw/zinc/79/00/05/456790005.db2.gz VFCIYORJAFPJIY-GOSISDBHSA-N 2 2 340.471 3.221 20 0 EGADLP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(C(C)C)[nH+]1 ZINC000301071330 456790011 /nfs/dbraw/zinc/79/00/11/456790011.db2.gz VFCIYORJAFPJIY-GOSISDBHSA-N 2 2 340.471 3.221 20 0 EGADLP c1nnc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)C2CCCCC2)[nH]1 ZINC000292043132 456839100 /nfs/dbraw/zinc/83/91/00/456839100.db2.gz FJBKHKIBRKQNHM-KRWDZBQOSA-N 2 2 328.464 3.303 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344739461 456853615 /nfs/dbraw/zinc/85/36/15/456853615.db2.gz ULJKXAHGOIFNEL-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739461 456853619 /nfs/dbraw/zinc/85/36/19/456853619.db2.gz ULJKXAHGOIFNEL-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP c1cn(Cc2ccc(N[C@H]3Cc4[nH]c5ccccc5c4C3)[nH+]c2)c[nH+]1 ZINC000348830776 456875560 /nfs/dbraw/zinc/87/55/60/456875560.db2.gz DJIJOVCBTRGPGO-OAHLLOKOSA-N 2 2 329.407 3.387 20 0 EGADLP COc1ccc2nc(C[NH2+]C3CC[NH+](C4CCC4)CC3)sc2c1 ZINC000353761647 456895021 /nfs/dbraw/zinc/89/50/21/456895021.db2.gz TZWPYHQDWGRMRQ-UHFFFAOYSA-N 2 2 331.485 3.411 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000341737681 456921673 /nfs/dbraw/zinc/92/16/73/456921673.db2.gz KUTUWGDNDQCSFY-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1C ZINC000353929703 456969774 /nfs/dbraw/zinc/96/97/74/456969774.db2.gz FGJVBSKGLWQXEC-FRYIKTPZSA-N 2 2 344.499 3.391 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000354035080 457023501 /nfs/dbraw/zinc/02/35/01/457023501.db2.gz VPWITAHMPVWPHB-YLJYHZDGSA-N 2 2 345.531 3.393 20 0 EGADLP Cc1[nH]c(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c[nH+]1 ZINC000339283983 457040503 /nfs/dbraw/zinc/04/05/03/457040503.db2.gz MMYULYHDALLZSF-CQSZACIVSA-N 2 2 326.444 3.112 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1(C(=O)OC)CCC1 ZINC000354091900 457057225 /nfs/dbraw/zinc/05/72/25/457057225.db2.gz MYKQJCNDLPHQHD-KRWDZBQOSA-N 2 2 327.428 3.084 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045784 457077335 /nfs/dbraw/zinc/07/73/35/457077335.db2.gz UVLJJJDFRKEAOG-RHSMWYFYSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045784 457077340 /nfs/dbraw/zinc/07/73/40/457077340.db2.gz UVLJJJDFRKEAOG-RHSMWYFYSA-N 2 2 338.455 3.023 20 0 EGADLP COc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(C)c1OC ZINC000342095264 457106057 /nfs/dbraw/zinc/10/60/57/457106057.db2.gz FAOWNXPMRKHCLO-UHFFFAOYSA-N 2 2 337.423 3.488 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424470 457107337 /nfs/dbraw/zinc/10/73/37/457107337.db2.gz QYEMUMRYRGEURV-CVEARBPZSA-N 2 2 330.394 3.033 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424470 457107342 /nfs/dbraw/zinc/10/73/42/457107342.db2.gz QYEMUMRYRGEURV-CVEARBPZSA-N 2 2 330.394 3.033 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439340 457119128 /nfs/dbraw/zinc/11/91/28/457119128.db2.gz UHTTZRXRJSYCPD-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439340 457119138 /nfs/dbraw/zinc/11/91/38/457119138.db2.gz UHTTZRXRJSYCPD-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439340 457119146 /nfs/dbraw/zinc/11/91/46/457119146.db2.gz UHTTZRXRJSYCPD-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000339439340 457119152 /nfs/dbraw/zinc/11/91/52/457119152.db2.gz UHTTZRXRJSYCPD-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000342144490 457133567 /nfs/dbraw/zinc/13/35/67/457133567.db2.gz UEEATOGJMRJVJL-MNOVXSKESA-N 2 2 346.500 3.054 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209638 457133861 /nfs/dbraw/zinc/13/38/61/457133861.db2.gz QWSFJTDDCVASGJ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209638 457133865 /nfs/dbraw/zinc/13/38/65/457133865.db2.gz QWSFJTDDCVASGJ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209638 457133869 /nfs/dbraw/zinc/13/38/69/457133869.db2.gz QWSFJTDDCVASGJ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209638 457133874 /nfs/dbraw/zinc/13/38/74/457133874.db2.gz QWSFJTDDCVASGJ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP [NH3+]C1(C[NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC000342145860 457134749 /nfs/dbraw/zinc/13/47/49/457134749.db2.gz VLGZRPDWPIGPGQ-UHFFFAOYSA-N 2 2 336.650 3.056 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225623 457141763 /nfs/dbraw/zinc/14/17/63/457141763.db2.gz SEETVZCTPXUWMV-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225623 457141767 /nfs/dbraw/zinc/14/17/67/457141767.db2.gz SEETVZCTPXUWMV-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225623 457141774 /nfs/dbraw/zinc/14/17/74/457141774.db2.gz SEETVZCTPXUWMV-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225623 457141776 /nfs/dbraw/zinc/14/17/76/457141776.db2.gz SEETVZCTPXUWMV-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932123 457154790 /nfs/dbraw/zinc/15/47/90/457154790.db2.gz DWFPCBKBCXYAPT-KFKAGJAMSA-N 2 2 327.472 3.091 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932123 457154795 /nfs/dbraw/zinc/15/47/95/457154795.db2.gz DWFPCBKBCXYAPT-KFKAGJAMSA-N 2 2 327.472 3.091 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000339658706 457195639 /nfs/dbraw/zinc/19/56/39/457195639.db2.gz CKHUGESMKBDBGG-AWEZNQCLSA-N 2 2 341.377 3.388 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000339658706 457195645 /nfs/dbraw/zinc/19/56/45/457195645.db2.gz CKHUGESMKBDBGG-AWEZNQCLSA-N 2 2 341.377 3.388 20 0 EGADLP Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000360015275 457205139 /nfs/dbraw/zinc/20/51/39/457205139.db2.gz IEWUJMSYLFBRIO-OAHLLOKOSA-N 2 2 327.428 3.252 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347057485 457208984 /nfs/dbraw/zinc/20/89/84/457208984.db2.gz WBLIWUCUPHJOGB-DOMZBBRYSA-N 2 2 341.293 3.407 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347057485 457208988 /nfs/dbraw/zinc/20/89/88/457208988.db2.gz WBLIWUCUPHJOGB-DOMZBBRYSA-N 2 2 341.293 3.407 20 0 EGADLP CC[NH+](CC)[C@@H](C)CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354437061 457221311 /nfs/dbraw/zinc/22/13/11/457221311.db2.gz UYWYODGWEUHUID-HNNXBMFYSA-N 2 2 342.487 3.150 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccn1 ZINC000342300129 457221955 /nfs/dbraw/zinc/22/19/55/457221955.db2.gz SNOXOJICZAOWKA-CYBMUJFWSA-N 2 2 346.500 3.164 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)ccn1 ZINC000342300129 457221964 /nfs/dbraw/zinc/22/19/64/457221964.db2.gz SNOXOJICZAOWKA-CYBMUJFWSA-N 2 2 346.500 3.164 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347105213 457231820 /nfs/dbraw/zinc/23/18/20/457231820.db2.gz LRZHTQVQYWKMFW-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347105213 457231823 /nfs/dbraw/zinc/23/18/23/457231823.db2.gz LRZHTQVQYWKMFW-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NCC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC000356975267 457252284 /nfs/dbraw/zinc/25/22/84/457252284.db2.gz CIYNEIYFGHTXMA-KRWDZBQOSA-N 2 2 330.451 3.113 20 0 EGADLP CCC[N@H+](Cc1cc(O)ccc1Br)C1CC[NH2+]CC1 ZINC000347152934 457259278 /nfs/dbraw/zinc/25/92/78/457259278.db2.gz BQSSHWSJJLWDFH-UHFFFAOYSA-N 2 2 327.266 3.119 20 0 EGADLP CCC[N@@H+](Cc1cc(O)ccc1Br)C1CC[NH2+]CC1 ZINC000347152934 457259279 /nfs/dbraw/zinc/25/92/79/457259279.db2.gz BQSSHWSJJLWDFH-UHFFFAOYSA-N 2 2 327.266 3.119 20 0 EGADLP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346328 457263355 /nfs/dbraw/zinc/26/33/55/457263355.db2.gz YRALDRPUAHPVIJ-QUCCMNQESA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346328 457263358 /nfs/dbraw/zinc/26/33/58/457263358.db2.gz YRALDRPUAHPVIJ-QUCCMNQESA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351346328 457263364 /nfs/dbraw/zinc/26/33/64/457263364.db2.gz YRALDRPUAHPVIJ-QUCCMNQESA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@@H]2CCCCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351346328 457263367 /nfs/dbraw/zinc/26/33/67/457263367.db2.gz YRALDRPUAHPVIJ-QUCCMNQESA-N 2 2 332.488 3.067 20 0 EGADLP CCCCCC[C@@H](CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363226051 457264141 /nfs/dbraw/zinc/26/41/41/457264141.db2.gz QTPWBSNJFJARNR-MSOLQXFVSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@@H](CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363226051 457264146 /nfs/dbraw/zinc/26/41/46/457264146.db2.gz QTPWBSNJFJARNR-MSOLQXFVSA-N 2 2 337.552 3.268 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354515500 457267079 /nfs/dbraw/zinc/26/70/79/457267079.db2.gz SUEMKAKJAKBCIB-GTAWCEEGSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354515500 457267085 /nfs/dbraw/zinc/26/70/85/457267085.db2.gz SUEMKAKJAKBCIB-GTAWCEEGSA-N 2 2 344.499 3.218 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347168360 457267461 /nfs/dbraw/zinc/26/74/61/457267461.db2.gz MMBYYCDYDOVTTH-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347168360 457267464 /nfs/dbraw/zinc/26/74/64/457267464.db2.gz MMBYYCDYDOVTTH-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP C[N@H+](Cc1ccc(Cl)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347206822 457288580 /nfs/dbraw/zinc/28/85/80/457288580.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347206822 457288585 /nfs/dbraw/zinc/28/85/85/457288585.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000347206822 457288595 /nfs/dbraw/zinc/28/85/95/457288595.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000347206822 457288599 /nfs/dbraw/zinc/28/85/99/457288599.db2.gz RVMZGIUHHBNQRF-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000360564156 457319372 /nfs/dbraw/zinc/31/93/72/457319372.db2.gz QODLURIRFHIKNV-GOSISDBHSA-N 2 2 329.469 3.004 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000360564156 457319375 /nfs/dbraw/zinc/31/93/75/457319375.db2.gz QODLURIRFHIKNV-GOSISDBHSA-N 2 2 329.469 3.004 20 0 EGADLP C[C@@](O)(C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000363431724 457325971 /nfs/dbraw/zinc/32/59/71/457325971.db2.gz XJUGETNCRLDPGL-YLJYHZDGSA-N 2 2 328.456 3.130 20 0 EGADLP C[C@@](O)(C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000363431724 457325978 /nfs/dbraw/zinc/32/59/78/457325978.db2.gz XJUGETNCRLDPGL-YLJYHZDGSA-N 2 2 328.456 3.130 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000351979866 457326925 /nfs/dbraw/zinc/32/69/25/457326925.db2.gz YMWRSOZZRLIQNU-VTCDDQIKSA-N 2 2 346.515 3.183 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000351979866 457326931 /nfs/dbraw/zinc/32/69/31/457326931.db2.gz YMWRSOZZRLIQNU-VTCDDQIKSA-N 2 2 346.515 3.183 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000342561645 457367076 /nfs/dbraw/zinc/36/70/76/457367076.db2.gz WLQJZSXMDGGGIN-MRXNPFEDSA-N 2 2 348.487 3.072 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1cccs1 ZINC000352512396 457428743 /nfs/dbraw/zinc/42/87/43/457428743.db2.gz XKUXOEUGECPLAS-RHSMWYFYSA-N 2 2 337.533 3.155 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1cccs1 ZINC000352512396 457428748 /nfs/dbraw/zinc/42/87/48/457428748.db2.gz XKUXOEUGECPLAS-RHSMWYFYSA-N 2 2 337.533 3.155 20 0 EGADLP Oc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC000356124529 457467553 /nfs/dbraw/zinc/46/75/53/457467553.db2.gz JJIAYXPSKVEVDO-INIZCTEOSA-N 2 2 338.329 3.459 20 0 EGADLP Oc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(C(F)(F)F)c1 ZINC000356124529 457467561 /nfs/dbraw/zinc/46/75/61/457467561.db2.gz JJIAYXPSKVEVDO-INIZCTEOSA-N 2 2 338.329 3.459 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000357361821 457473282 /nfs/dbraw/zinc/47/32/82/457473282.db2.gz YXDQYZXLWFLCEX-CRAIPNDOSA-N 2 2 327.497 3.414 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000357361821 457473289 /nfs/dbraw/zinc/47/32/89/457473289.db2.gz YXDQYZXLWFLCEX-CRAIPNDOSA-N 2 2 327.497 3.414 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Cl)c1 ZINC000397322159 457485936 /nfs/dbraw/zinc/48/59/36/457485936.db2.gz NJKDJDKCMBPJHO-CFVMTHIKSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(Cl)c1 ZINC000397322159 457485940 /nfs/dbraw/zinc/48/59/40/457485940.db2.gz NJKDJDKCMBPJHO-CFVMTHIKSA-N 2 2 337.895 3.201 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o2)cc1 ZINC000360981264 457487144 /nfs/dbraw/zinc/48/71/44/457487144.db2.gz ITALIJKJTZDGPK-AWEZNQCLSA-N 2 2 330.428 3.163 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312849 457493007 /nfs/dbraw/zinc/49/30/07/457493007.db2.gz HKQZZECAZHBNKC-WMZOPIPTSA-N 2 2 342.487 3.168 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312849 457493013 /nfs/dbraw/zinc/49/30/13/457493013.db2.gz HKQZZECAZHBNKC-WMZOPIPTSA-N 2 2 342.487 3.168 20 0 EGADLP CC1CCC([N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]2CCCO2)CC1 ZINC000425342180 457506182 /nfs/dbraw/zinc/50/61/82/457506182.db2.gz YHWSFLLTJBDQBU-LEOMRAHMSA-N 2 2 334.508 3.046 20 0 EGADLP CC1CCC([N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]2CCCO2)CC1 ZINC000425342180 457506188 /nfs/dbraw/zinc/50/61/88/457506188.db2.gz YHWSFLLTJBDQBU-LEOMRAHMSA-N 2 2 334.508 3.046 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)n1C ZINC000425340080 457507210 /nfs/dbraw/zinc/50/72/10/457507210.db2.gz UYBOSRWHQSTWBL-HNNXBMFYSA-N 2 2 330.501 3.100 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)n1C ZINC000425340080 457507216 /nfs/dbraw/zinc/50/72/16/457507216.db2.gz UYBOSRWHQSTWBL-HNNXBMFYSA-N 2 2 330.501 3.100 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000342806551 457538881 /nfs/dbraw/zinc/53/88/81/457538881.db2.gz KCAJSYJJAYXFAL-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000342806551 457538887 /nfs/dbraw/zinc/53/88/87/457538887.db2.gz KCAJSYJJAYXFAL-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP COC(=O)[C@H](CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421671 457545196 /nfs/dbraw/zinc/54/51/96/457545196.db2.gz OFQMGMCHXPHXGC-QXAKKESOSA-N 2 2 341.455 3.113 20 0 EGADLP COC(=O)[C@H](CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421671 457545201 /nfs/dbraw/zinc/54/52/01/457545201.db2.gz OFQMGMCHXPHXGC-QXAKKESOSA-N 2 2 341.455 3.113 20 0 EGADLP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000352715895 457553383 /nfs/dbraw/zinc/55/33/83/457553383.db2.gz HDFJKVXKPUQVQM-DLBZAZTESA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000352715895 457553389 /nfs/dbraw/zinc/55/33/89/457553389.db2.gz HDFJKVXKPUQVQM-DLBZAZTESA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000352715895 457553396 /nfs/dbraw/zinc/55/33/96/457553396.db2.gz HDFJKVXKPUQVQM-DLBZAZTESA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000352715895 457553403 /nfs/dbraw/zinc/55/34/03/457553403.db2.gz HDFJKVXKPUQVQM-DLBZAZTESA-N 2 2 332.488 3.487 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@]3(C)CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000405978055 457554215 /nfs/dbraw/zinc/55/42/15/457554215.db2.gz YLBBTIVYXNUJCZ-OAQYLSRUSA-N 2 2 349.482 3.031 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000405978055 457554221 /nfs/dbraw/zinc/55/42/21/457554221.db2.gz YLBBTIVYXNUJCZ-OAQYLSRUSA-N 2 2 349.482 3.031 20 0 EGADLP COc1cccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374281208 457565021 /nfs/dbraw/zinc/56/50/21/457565021.db2.gz WXEGCRSUSPQVJI-HXUWFJFHSA-N 2 2 325.456 3.092 20 0 EGADLP COc1cccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374281208 457565029 /nfs/dbraw/zinc/56/50/29/457565029.db2.gz WXEGCRSUSPQVJI-HXUWFJFHSA-N 2 2 325.456 3.092 20 0 EGADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccsc1 ZINC000374285831 457569200 /nfs/dbraw/zinc/56/92/00/457569200.db2.gz VNGCKRDNWDEBJU-UHFFFAOYSA-N 3 2 335.561 3.376 20 0 EGADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccsc1 ZINC000374285831 457569207 /nfs/dbraw/zinc/56/92/07/457569207.db2.gz VNGCKRDNWDEBJU-UHFFFAOYSA-N 3 2 335.561 3.376 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000364360798 457577736 /nfs/dbraw/zinc/57/77/36/457577736.db2.gz JARPYNQSHXDTMI-MRXNPFEDSA-N 2 2 326.843 3.073 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(F)cc1Cl)CC2 ZINC000364360798 457577740 /nfs/dbraw/zinc/57/77/40/457577740.db2.gz JARPYNQSHXDTMI-MRXNPFEDSA-N 2 2 326.843 3.073 20 0 EGADLP CCCCCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364412133 457595869 /nfs/dbraw/zinc/59/58/69/457595869.db2.gz ZLEVDQFLUBZFIX-GOSISDBHSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364412133 457595875 /nfs/dbraw/zinc/59/58/75/457595875.db2.gz ZLEVDQFLUBZFIX-GOSISDBHSA-N 2 2 337.552 3.220 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370260361 457602346 /nfs/dbraw/zinc/60/23/46/457602346.db2.gz HDLONVITXCYWBR-UHFFFAOYSA-N 2 2 328.435 3.249 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000425917252 457651772 /nfs/dbraw/zinc/65/17/72/457651772.db2.gz GMHJFPBREWIINQ-STQMWFEESA-N 2 2 335.883 3.077 20 0 EGADLP C[N@H+](CCC[NH+]1CCCCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000361273435 457674409 /nfs/dbraw/zinc/67/44/09/457674409.db2.gz OJTVMQRYDFUXON-SFHVURJKSA-N 2 2 349.906 3.253 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000361273435 457674412 /nfs/dbraw/zinc/67/44/12/457674412.db2.gz OJTVMQRYDFUXON-SFHVURJKSA-N 2 2 349.906 3.253 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000361349557 457702122 /nfs/dbraw/zinc/70/21/22/457702122.db2.gz WJXQDYUBOQEPSH-ABSDTBQOSA-N 2 2 327.472 3.218 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000361349557 457702123 /nfs/dbraw/zinc/70/21/23/457702123.db2.gz WJXQDYUBOQEPSH-ABSDTBQOSA-N 2 2 327.472 3.218 20 0 EGADLP Fc1ccc(Cn2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000364842995 457703550 /nfs/dbraw/zinc/70/35/50/457703550.db2.gz BQVQYJKGVFWCEZ-QGZVFWFLSA-N 2 2 339.418 3.173 20 0 EGADLP Fc1ccc(Cn2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000364842995 457703554 /nfs/dbraw/zinc/70/35/54/457703554.db2.gz BQVQYJKGVFWCEZ-QGZVFWFLSA-N 2 2 339.418 3.173 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370724430 457706594 /nfs/dbraw/zinc/70/65/94/457706594.db2.gz KUBNEEJQXYAUGS-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370724430 457706597 /nfs/dbraw/zinc/70/65/97/457706597.db2.gz KUBNEEJQXYAUGS-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1)[NH+](C)C ZINC000357885028 457723429 /nfs/dbraw/zinc/72/34/29/457723429.db2.gz ZFHRAQBGMMENQF-BEFAXECRSA-N 2 2 336.439 3.064 20 0 EGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CCN(CC(F)F)CC1)[NH+](C)C ZINC000361456019 457737657 /nfs/dbraw/zinc/73/76/57/457737657.db2.gz HJIPSKSPKURQCG-HNAYVOBHSA-N 2 2 339.474 3.305 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358013306 457738942 /nfs/dbraw/zinc/73/89/42/457738942.db2.gz AHPLLBREJUXSIY-QWHCGFSZSA-N 2 2 327.350 3.490 20 0 EGADLP Cc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000443986339 457834452 /nfs/dbraw/zinc/83/44/52/457834452.db2.gz IMDZIHIEKVZDIQ-KRWDZBQOSA-N 2 2 344.890 3.218 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000358173041 457834666 /nfs/dbraw/zinc/83/46/66/457834666.db2.gz ITTFPUXUTSTCKU-FQEVSTJZSA-N 2 2 343.446 3.162 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295647 457853324 /nfs/dbraw/zinc/85/33/24/457853324.db2.gz TXFBMQCTKBLRLW-GUDVDZBRSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295647 457853329 /nfs/dbraw/zinc/85/33/29/457853329.db2.gz TXFBMQCTKBLRLW-GUDVDZBRSA-N 2 2 341.455 3.025 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411427042 457884770 /nfs/dbraw/zinc/88/47/70/457884770.db2.gz QAMMLCRHYGCSCX-UHFFFAOYSA-N 3 2 326.488 3.391 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411427042 457884776 /nfs/dbraw/zinc/88/47/76/457884776.db2.gz QAMMLCRHYGCSCX-UHFFFAOYSA-N 3 2 326.488 3.391 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375366843 457899921 /nfs/dbraw/zinc/89/99/21/457899921.db2.gz MCDRTUITBJNALF-RZXSNQJFSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375366843 457899928 /nfs/dbraw/zinc/89/99/28/457899928.db2.gz MCDRTUITBJNALF-RZXSNQJFSA-N 2 2 337.467 3.337 20 0 EGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1ccnc(N)c1 ZINC000411555046 457918368 /nfs/dbraw/zinc/91/83/68/457918368.db2.gz VIEDCUCSIJPGST-LJQANCHMSA-N 2 2 338.499 3.057 20 0 EGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1ccnc(N)c1 ZINC000411555046 457918376 /nfs/dbraw/zinc/91/83/76/457918376.db2.gz VIEDCUCSIJPGST-LJQANCHMSA-N 2 2 338.499 3.057 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876086 457922841 /nfs/dbraw/zinc/92/28/41/457922841.db2.gz CQBRCLOGBJEZCG-OXQOHEQNSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876086 457922847 /nfs/dbraw/zinc/92/28/47/457922847.db2.gz CQBRCLOGBJEZCG-OXQOHEQNSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885356 457929284 /nfs/dbraw/zinc/92/92/84/457929284.db2.gz HYVXOBYVIZVJJR-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885356 457929294 /nfs/dbraw/zinc/92/92/94/457929294.db2.gz HYVXOBYVIZVJJR-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@@]1=O ZINC000411634138 457934586 /nfs/dbraw/zinc/93/45/86/457934586.db2.gz KLERWGZOZYUJQZ-SBUREZEXSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@@]1=O ZINC000411634138 457934595 /nfs/dbraw/zinc/93/45/95/457934595.db2.gz KLERWGZOZYUJQZ-SBUREZEXSA-N 2 2 334.529 3.015 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358351095 457951080 /nfs/dbraw/zinc/95/10/80/457951080.db2.gz JRPRCNYMLQFXDO-DXIQSLLYSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000358351095 457951095 /nfs/dbraw/zinc/95/10/95/457951095.db2.gz JRPRCNYMLQFXDO-DXIQSLLYSA-N 2 2 336.479 3.207 20 0 EGADLP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1)OC ZINC000358349333 457951581 /nfs/dbraw/zinc/95/15/81/457951581.db2.gz XLXMHHDOJZGEFJ-FQEVSTJZSA-N 2 2 333.520 3.477 20 0 EGADLP CC(C)n1cnnc1C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411752092 457970907 /nfs/dbraw/zinc/97/09/07/457970907.db2.gz CMPMDCUDPBCLOX-UHFFFAOYSA-N 2 2 341.503 3.477 20 0 EGADLP CC(C)n1cnnc1C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411752092 457970916 /nfs/dbraw/zinc/97/09/16/457970916.db2.gz CMPMDCUDPBCLOX-UHFFFAOYSA-N 2 2 341.503 3.477 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(OC)c(OC)c1 ZINC000361968024 457984844 /nfs/dbraw/zinc/98/48/44/457984844.db2.gz YIOAKNXWLMNWRX-CRAIPNDOSA-N 2 2 338.517 3.182 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ncc(Br)cc1F ZINC000427689431 458022964 /nfs/dbraw/zinc/02/29/64/458022964.db2.gz IHPSUHWOSVYZHC-SCVCMEIPSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ncc(Br)cc1F ZINC000427689431 458022972 /nfs/dbraw/zinc/02/29/72/458022972.db2.gz IHPSUHWOSVYZHC-SCVCMEIPSA-N 2 2 330.245 3.117 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000375694776 458024504 /nfs/dbraw/zinc/02/45/04/458024504.db2.gz XFVMUAXPVJPTSY-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000375694776 458024508 /nfs/dbraw/zinc/02/45/08/458024508.db2.gz XFVMUAXPVJPTSY-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000445238638 458030319 /nfs/dbraw/zinc/03/03/19/458030319.db2.gz PXTBXLAILPTQTO-ZWKOTPCHSA-N 2 2 328.500 3.281 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000445238638 458030324 /nfs/dbraw/zinc/03/03/24/458030324.db2.gz PXTBXLAILPTQTO-ZWKOTPCHSA-N 2 2 328.500 3.281 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000445531842 458060893 /nfs/dbraw/zinc/06/08/93/458060893.db2.gz LXFRHBUONGQHKA-UHFFFAOYSA-N 2 2 335.923 3.332 20 0 EGADLP Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000371763368 458063845 /nfs/dbraw/zinc/06/38/45/458063845.db2.gz YFCGYLAFWNHTLN-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000371763368 458063850 /nfs/dbraw/zinc/06/38/50/458063850.db2.gz YFCGYLAFWNHTLN-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000375838444 458089080 /nfs/dbraw/zinc/08/90/80/458089080.db2.gz JFDWIIJVAPYRKU-CHWSQXEVSA-N 2 2 333.457 3.268 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000435378493 458128410 /nfs/dbraw/zinc/12/84/10/458128410.db2.gz IXPXDKNYQKHCNU-GJZGRUSLSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000435378493 458128416 /nfs/dbraw/zinc/12/84/16/458128416.db2.gz IXPXDKNYQKHCNU-GJZGRUSLSA-N 2 2 331.485 3.200 20 0 EGADLP CC(C)n1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435395324 458135515 /nfs/dbraw/zinc/13/55/15/458135515.db2.gz SFVMCUYDORCJES-LJQANCHMSA-N 2 2 327.476 3.003 20 0 EGADLP CC(C)n1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435395324 458135521 /nfs/dbraw/zinc/13/55/21/458135521.db2.gz SFVMCUYDORCJES-LJQANCHMSA-N 2 2 327.476 3.003 20 0 EGADLP CC[N@H+](Cc1cc(O)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435395856 458136480 /nfs/dbraw/zinc/13/64/80/458136480.db2.gz VJRKDFKLYULVAP-ZDUSSCGKSA-N 2 2 327.266 3.119 20 0 EGADLP CC[N@@H+](Cc1cc(O)ccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435395856 458136484 /nfs/dbraw/zinc/13/64/84/458136484.db2.gz VJRKDFKLYULVAP-ZDUSSCGKSA-N 2 2 327.266 3.119 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccc(C)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422944 458143079 /nfs/dbraw/zinc/14/30/79/458143079.db2.gz QZCOKJWQLRKIQY-LJQANCHMSA-N 2 2 338.499 3.356 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccc(C)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435422944 458143087 /nfs/dbraw/zinc/14/30/87/458143087.db2.gz QZCOKJWQLRKIQY-LJQANCHMSA-N 2 2 338.499 3.356 20 0 EGADLP Cc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000435439058 458148388 /nfs/dbraw/zinc/14/83/88/458148388.db2.gz QXENYIRSTIMCCH-GOSISDBHSA-N 2 2 342.462 3.012 20 0 EGADLP Cc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1F ZINC000435439058 458148394 /nfs/dbraw/zinc/14/83/94/458148394.db2.gz QXENYIRSTIMCCH-GOSISDBHSA-N 2 2 342.462 3.012 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362428820 458169903 /nfs/dbraw/zinc/16/99/03/458169903.db2.gz DMMKQIVFEVFVMJ-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362428820 458169907 /nfs/dbraw/zinc/16/99/07/458169907.db2.gz DMMKQIVFEVFVMJ-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CCCCN(CC)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362428820 458169913 /nfs/dbraw/zinc/16/99/13/458169913.db2.gz DMMKQIVFEVFVMJ-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CCCCN(CC)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362428820 458169919 /nfs/dbraw/zinc/16/99/19/458169919.db2.gz DMMKQIVFEVFVMJ-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435629910 458175777 /nfs/dbraw/zinc/17/57/77/458175777.db2.gz VMVUIKFWUASNLI-KRWDZBQOSA-N 2 2 329.444 3.314 20 0 EGADLP CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435629910 458175784 /nfs/dbraw/zinc/17/57/84/458175784.db2.gz VMVUIKFWUASNLI-KRWDZBQOSA-N 2 2 329.444 3.314 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628077 458176471 /nfs/dbraw/zinc/17/64/71/458176471.db2.gz PIJAYFWPGMFYHF-INIZCTEOSA-N 2 2 331.504 3.387 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435628077 458176474 /nfs/dbraw/zinc/17/64/74/458176474.db2.gz PIJAYFWPGMFYHF-INIZCTEOSA-N 2 2 331.504 3.387 20 0 EGADLP COC(=O)Nc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000376061750 458181663 /nfs/dbraw/zinc/18/16/63/458181663.db2.gz LAFQPCUQFLDPEB-UHFFFAOYSA-N 2 2 340.427 3.019 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435737246 458192520 /nfs/dbraw/zinc/19/25/20/458192520.db2.gz GIENGZNCDLNLRV-OAHLLOKOSA-N 2 2 349.475 3.081 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435737246 458192525 /nfs/dbraw/zinc/19/25/25/458192525.db2.gz GIENGZNCDLNLRV-OAHLLOKOSA-N 2 2 349.475 3.081 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1ccccc1N(C)C)C[C@H]1CC[NH2+]C1 ZINC000435737297 458192826 /nfs/dbraw/zinc/19/28/26/458192826.db2.gz GUMUZTONFUTOFV-INIZCTEOSA-N 2 2 344.528 3.129 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1ccccc1N(C)C)C[C@H]1CC[NH2+]C1 ZINC000435737297 458192827 /nfs/dbraw/zinc/19/28/27/458192827.db2.gz GUMUZTONFUTOFV-INIZCTEOSA-N 2 2 344.528 3.129 20 0 EGADLP COc1cccc2c(NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]c12 ZINC000436180314 458265330 /nfs/dbraw/zinc/26/53/30/458265330.db2.gz BRPKZPNMDDESPW-OAHLLOKOSA-N 2 2 329.444 3.012 20 0 EGADLP COc1cccc2c(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]c12 ZINC000436180314 458265332 /nfs/dbraw/zinc/26/53/32/458265332.db2.gz BRPKZPNMDDESPW-OAHLLOKOSA-N 2 2 329.444 3.012 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000447301471 458281930 /nfs/dbraw/zinc/28/19/30/458281930.db2.gz KRKVURILJSXCIO-UHFFFAOYSA-N 2 2 339.270 3.092 20 0 EGADLP CN1C[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000436378301 458296850 /nfs/dbraw/zinc/29/68/50/458296850.db2.gz RMBDQKCXSNXCNH-SFHVURJKSA-N 2 2 332.451 3.271 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000447542411 458307901 /nfs/dbraw/zinc/30/79/01/458307901.db2.gz JEEFKTATVMDHFM-BPLDGKMQSA-N 2 2 334.460 3.214 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000447542411 458307904 /nfs/dbraw/zinc/30/79/04/458307904.db2.gz JEEFKTATVMDHFM-BPLDGKMQSA-N 2 2 334.460 3.214 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)CCn2cc[nH+]c2C)c1 ZINC000429308415 458315222 /nfs/dbraw/zinc/31/52/22/458315222.db2.gz QXYURIGAVHEQAB-UHFFFAOYSA-N 2 2 338.249 3.095 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)CCn2cc[nH+]c2C)c1 ZINC000429308415 458315226 /nfs/dbraw/zinc/31/52/26/458315226.db2.gz QXYURIGAVHEQAB-UHFFFAOYSA-N 2 2 338.249 3.095 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360464 458343105 /nfs/dbraw/zinc/34/31/05/458343105.db2.gz OHIYZJZSXCVALT-QAPCUYQASA-N 2 2 340.471 3.154 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360464 458343111 /nfs/dbraw/zinc/34/31/11/458343111.db2.gz OHIYZJZSXCVALT-QAPCUYQASA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360464 458343115 /nfs/dbraw/zinc/34/31/15/458343115.db2.gz OHIYZJZSXCVALT-QAPCUYQASA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360464 458343119 /nfs/dbraw/zinc/34/31/19/458343119.db2.gz OHIYZJZSXCVALT-QAPCUYQASA-N 2 2 340.471 3.154 20 0 EGADLP CCOC1(C)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000430103522 458400802 /nfs/dbraw/zinc/40/08/02/458400802.db2.gz KGZAXHUICGTOCF-UHFFFAOYSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC1(C)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000430103522 458400803 /nfs/dbraw/zinc/40/08/03/458400803.db2.gz KGZAXHUICGTOCF-UHFFFAOYSA-N 2 2 337.533 3.301 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000373224949 458435310 /nfs/dbraw/zinc/43/53/10/458435310.db2.gz AVBOSSYMJQRCFN-AWEZNQCLSA-N 2 2 325.416 3.091 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)o1 ZINC000373224949 458435318 /nfs/dbraw/zinc/43/53/18/458435318.db2.gz AVBOSSYMJQRCFN-AWEZNQCLSA-N 2 2 325.416 3.091 20 0 EGADLP Cc1ncc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000373234306 458439737 /nfs/dbraw/zinc/43/97/37/458439737.db2.gz VOJJITUSIBNBFC-KRWDZBQOSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1ncc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000373234306 458439742 /nfs/dbraw/zinc/43/97/42/458439742.db2.gz VOJJITUSIBNBFC-KRWDZBQOSA-N 2 2 335.455 3.294 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511203 458446900 /nfs/dbraw/zinc/44/69/00/458446900.db2.gz KATLOXQFLGNULM-CJNGLKHVSA-N 2 2 330.303 3.184 20 0 EGADLP C[C@@H]1CN([C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C[C@@]1(C)C[NH3+] ZINC000423532243 458453996 /nfs/dbraw/zinc/45/39/96/458453996.db2.gz ZIYIPRQUTHUCNC-RPVQJOFSSA-N 2 2 332.879 3.080 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423548118 458455931 /nfs/dbraw/zinc/45/59/31/458455931.db2.gz DQRBZHDYBZPMBF-AEFFLSMTSA-N 2 2 332.488 3.084 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430537139 458458117 /nfs/dbraw/zinc/45/81/17/458458117.db2.gz GJKOMWPYEAFZHX-GZBFAFLISA-N 2 2 348.878 3.434 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430537139 458458123 /nfs/dbraw/zinc/45/81/23/458458123.db2.gz GJKOMWPYEAFZHX-GZBFAFLISA-N 2 2 348.878 3.434 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1Cl ZINC000423577417 458458451 /nfs/dbraw/zinc/45/84/51/458458451.db2.gz SDXONDPQLZMMRS-FZMZJTMJSA-N 2 2 347.684 3.132 20 0 EGADLP C[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430548454 458459815 /nfs/dbraw/zinc/45/98/15/458459815.db2.gz WQFMFHFTMUFAEI-UHFFFAOYSA-N 2 2 339.483 3.137 20 0 EGADLP C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430548454 458459818 /nfs/dbraw/zinc/45/98/18/458459818.db2.gz WQFMFHFTMUFAEI-UHFFFAOYSA-N 2 2 339.483 3.137 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C3CC3)cs2)c1OC ZINC000430573130 458463114 /nfs/dbraw/zinc/46/31/14/458463114.db2.gz GQVFGEJUHPFHLK-SFHVURJKSA-N 2 2 347.484 3.044 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430593217 458467576 /nfs/dbraw/zinc/46/75/76/458467576.db2.gz OMAZJMXFIGOEGN-NRFANRHFSA-N 2 2 343.515 3.108 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430593217 458467577 /nfs/dbraw/zinc/46/75/77/458467577.db2.gz OMAZJMXFIGOEGN-NRFANRHFSA-N 2 2 343.515 3.108 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000430606730 458470125 /nfs/dbraw/zinc/47/01/25/458470125.db2.gz AMQFHUSIRRBUCK-UHFFFAOYSA-N 2 2 339.439 3.101 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000430606730 458470130 /nfs/dbraw/zinc/47/01/30/458470130.db2.gz AMQFHUSIRRBUCK-UHFFFAOYSA-N 2 2 339.439 3.101 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638594 458474230 /nfs/dbraw/zinc/47/42/30/458474230.db2.gz FXFFLWABIKEJDS-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638594 458474236 /nfs/dbraw/zinc/47/42/36/458474236.db2.gz FXFFLWABIKEJDS-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])n2)cc1F ZINC000430646404 458474280 /nfs/dbraw/zinc/47/42/80/458474280.db2.gz PFTBXDREUOMRDX-RHSMWYFYSA-N 2 2 346.450 3.318 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])n2)cc1F ZINC000430646404 458474285 /nfs/dbraw/zinc/47/42/85/458474285.db2.gz PFTBXDREUOMRDX-RHSMWYFYSA-N 2 2 346.450 3.318 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648581 458474353 /nfs/dbraw/zinc/47/43/53/458474353.db2.gz ZMXHYFNKWXWHFE-IUODEOHRSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648581 458474356 /nfs/dbraw/zinc/47/43/56/458474356.db2.gz ZMXHYFNKWXWHFE-IUODEOHRSA-N 2 2 334.851 3.134 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373388145 458478626 /nfs/dbraw/zinc/47/86/26/458478626.db2.gz NCUAPCYDYMMWMA-VXGBXAGGSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373388145 458478632 /nfs/dbraw/zinc/47/86/32/458478632.db2.gz NCUAPCYDYMMWMA-VXGBXAGGSA-N 2 2 327.241 3.305 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)[C@@H](C)[NH3+] ZINC000423810405 458488052 /nfs/dbraw/zinc/48/80/52/458488052.db2.gz MDAPMRMAVXXHSC-WBMJQRKESA-N 2 2 330.476 3.429 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2[nH+]c1C(C)(C)C ZINC000423816636 458489163 /nfs/dbraw/zinc/48/91/63/458489163.db2.gz WRQDXQXSYRSTBC-GXTWGEPZSA-N 2 2 328.460 3.327 20 0 EGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000423815534 458489734 /nfs/dbraw/zinc/48/97/34/458489734.db2.gz VFCTYMCYSLIHTB-UONOGXRCSA-N 2 2 328.460 3.197 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000430932235 458507368 /nfs/dbraw/zinc/50/73/68/458507368.db2.gz YRBGBSSQAUTFNR-ZKNHNOBHSA-N 2 2 339.483 3.075 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000430932235 458507374 /nfs/dbraw/zinc/50/73/74/458507374.db2.gz YRBGBSSQAUTFNR-ZKNHNOBHSA-N 2 2 339.483 3.075 20 0 EGADLP C[C@H](CNc1[nH+]c2ccc(F)cc2n1C)[N@@H+]1CCc2sccc2C1 ZINC000431042465 458521100 /nfs/dbraw/zinc/52/11/00/458521100.db2.gz HUZOFRTYHFRHOI-GFCCVEGCSA-N 2 2 344.459 3.055 20 0 EGADLP C[C@H](CNc1[nH+]c2ccc(F)cc2n1C)[N@H+]1CCc2sccc2C1 ZINC000431042465 458521103 /nfs/dbraw/zinc/52/11/03/458521103.db2.gz HUZOFRTYHFRHOI-GFCCVEGCSA-N 2 2 344.459 3.055 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431144354 458535374 /nfs/dbraw/zinc/53/53/74/458535374.db2.gz RWVUPKPGPZUZPC-QAPCUYQASA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431144354 458535378 /nfs/dbraw/zinc/53/53/78/458535378.db2.gz RWVUPKPGPZUZPC-QAPCUYQASA-N 2 2 339.439 3.124 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000431160648 458537068 /nfs/dbraw/zinc/53/70/68/458537068.db2.gz UVLGMERDCNNDGG-QFBILLFUSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000431160648 458537072 /nfs/dbraw/zinc/53/70/72/458537072.db2.gz UVLGMERDCNNDGG-QFBILLFUSA-N 2 2 339.439 3.179 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337295 458559497 /nfs/dbraw/zinc/55/94/97/458559497.db2.gz MVKVQLPHYSGUSM-JSNMRZPZSA-N 2 2 326.484 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337295 458559499 /nfs/dbraw/zinc/55/94/99/458559499.db2.gz MVKVQLPHYSGUSM-JSNMRZPZSA-N 2 2 326.484 3.461 20 0 EGADLP [NH3+][C@H](CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CC1CCCCC1 ZINC000424141069 458569183 /nfs/dbraw/zinc/56/91/83/458569183.db2.gz GQNWEQCGIFCCRK-MRXNPFEDSA-N 3 2 341.459 3.284 20 0 EGADLP C[C@@H](Nc1[nH+]c2ccc(F)cc2n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000431424689 458571262 /nfs/dbraw/zinc/57/12/62/458571262.db2.gz ZQAHNFKZOSWESR-ACJLOTCBSA-N 2 2 326.419 3.238 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000431434905 458572955 /nfs/dbraw/zinc/57/29/55/458572955.db2.gz PCZVYQLUZZLYOK-GUYCJALGSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000431434905 458572958 /nfs/dbraw/zinc/57/29/58/458572958.db2.gz PCZVYQLUZZLYOK-GUYCJALGSA-N 2 2 328.435 3.166 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469851619 458596846 /nfs/dbraw/zinc/59/68/46/458596846.db2.gz ZOOXESUMUSSOSC-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000493936034 458604049 /nfs/dbraw/zinc/60/40/49/458604049.db2.gz JUQVAWFPMUMZQX-OSGQAZFXSA-N 2 2 343.515 3.433 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000494141339 458632286 /nfs/dbraw/zinc/63/22/86/458632286.db2.gz IVUSIGLRYZJETJ-IRXDYDNUSA-N 2 2 348.491 3.137 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000494141339 458632289 /nfs/dbraw/zinc/63/22/89/458632289.db2.gz IVUSIGLRYZJETJ-IRXDYDNUSA-N 2 2 348.491 3.137 20 0 EGADLP Clc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000494394891 458668383 /nfs/dbraw/zinc/66/83/83/458668383.db2.gz WFISEELMFSWCIE-GFCCVEGCSA-N 2 2 340.652 3.404 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979802 458671759 /nfs/dbraw/zinc/67/17/59/458671759.db2.gz PAQPROYINHMTCQ-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979802 458671762 /nfs/dbraw/zinc/67/17/62/458671762.db2.gz PAQPROYINHMTCQ-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470979802 458671766 /nfs/dbraw/zinc/67/17/66/458671766.db2.gz PAQPROYINHMTCQ-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979802 458671769 /nfs/dbraw/zinc/67/17/69/458671769.db2.gz PAQPROYINHMTCQ-HOCLYGCPSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203159 458682468 /nfs/dbraw/zinc/68/24/68/458682468.db2.gz CKQYMWZWFIKBKB-MGPUTAFESA-N 2 2 347.934 3.377 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203159 458682473 /nfs/dbraw/zinc/68/24/73/458682473.db2.gz CKQYMWZWFIKBKB-MGPUTAFESA-N 2 2 347.934 3.377 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432234611 458702334 /nfs/dbraw/zinc/70/23/34/458702334.db2.gz WFWOQVDQAXJNAN-NSHDSACASA-N 2 2 335.250 3.333 20 0 EGADLP CC[C@H](Nc1cc(C)cc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471687178 458712939 /nfs/dbraw/zinc/71/29/39/458712939.db2.gz IJGSQLWLFIDABF-RBUKOAKNSA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@H](Nc1cc(C)cc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471687178 458712943 /nfs/dbraw/zinc/71/29/43/458712943.db2.gz IJGSQLWLFIDABF-RBUKOAKNSA-N 2 2 325.456 3.482 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(C3CCCC3)s2)CCCO1 ZINC000432346345 458721994 /nfs/dbraw/zinc/72/19/94/458721994.db2.gz LEZGYAMFXWYGFZ-OAHLLOKOSA-N 2 2 337.533 3.391 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(C3CCCC3)s2)CCCO1 ZINC000432346345 458722000 /nfs/dbraw/zinc/72/20/00/458722000.db2.gz LEZGYAMFXWYGFZ-OAHLLOKOSA-N 2 2 337.533 3.391 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1)NC(=O)OC(C)(C)C ZINC000494694188 458731040 /nfs/dbraw/zinc/73/10/40/458731040.db2.gz PCILMUXEEFKHCU-GJZGRUSLSA-N 2 2 346.475 3.158 20 0 EGADLP Cc1cccc(NC(=O)N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000439881670 458761897 /nfs/dbraw/zinc/76/18/97/458761897.db2.gz NZBXXTWNOHPRKQ-LJQANCHMSA-N 2 2 344.503 3.019 20 0 EGADLP Cc1cccc(NC(=O)N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000439881670 458761899 /nfs/dbraw/zinc/76/18/99/458761899.db2.gz NZBXXTWNOHPRKQ-LJQANCHMSA-N 2 2 344.503 3.019 20 0 EGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494939536 458769826 /nfs/dbraw/zinc/76/98/26/458769826.db2.gz JZWHMAKQMSXCGY-OLMNPRSZSA-N 2 2 329.419 3.095 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472467265 458798508 /nfs/dbraw/zinc/79/85/08/458798508.db2.gz PMYXXTVGDRFBRC-RDJZCZTQSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472467265 458798513 /nfs/dbraw/zinc/79/85/13/458798513.db2.gz PMYXXTVGDRFBRC-RDJZCZTQSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472467265 458798515 /nfs/dbraw/zinc/79/85/15/458798515.db2.gz PMYXXTVGDRFBRC-RDJZCZTQSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472467265 458798521 /nfs/dbraw/zinc/79/85/21/458798521.db2.gz PMYXXTVGDRFBRC-RDJZCZTQSA-N 2 2 340.471 3.461 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000432868607 458803102 /nfs/dbraw/zinc/80/31/02/458803102.db2.gz SSMJEIRLGLQRLX-UHFFFAOYSA-N 2 2 335.540 3.436 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC1(C)COC1 ZINC000440334458 458804365 /nfs/dbraw/zinc/80/43/65/458804365.db2.gz UNKPRSJUIMWHBU-UHFFFAOYSA-N 2 2 343.471 3.211 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC1(C)COC1 ZINC000440334458 458804370 /nfs/dbraw/zinc/80/43/70/458804370.db2.gz UNKPRSJUIMWHBU-UHFFFAOYSA-N 2 2 343.471 3.211 20 0 EGADLP Cc1cccn2cc(CC(=O)Nc3cc(C[NH+](C)C)ccc3C)[nH+]c12 ZINC000530659051 458807586 /nfs/dbraw/zinc/80/75/86/458807586.db2.gz KJYHAHVXMNTJMW-UHFFFAOYSA-N 2 2 336.439 3.194 20 0 EGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000518050814 458839057 /nfs/dbraw/zinc/83/90/57/458839057.db2.gz OJBBWEVOJGSFCW-GFCCVEGCSA-N 2 2 340.349 3.192 20 0 EGADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000518195198 458849143 /nfs/dbraw/zinc/84/91/43/458849143.db2.gz VNGQPGZPHFFKFD-SMDDNHRTSA-N 2 2 331.803 3.464 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000440824095 458858008 /nfs/dbraw/zinc/85/80/08/458858008.db2.gz SRWSUACSAYSESX-UHFFFAOYSA-N 2 2 338.377 3.183 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796076 458894526 /nfs/dbraw/zinc/89/45/26/458894526.db2.gz PNFYYYCWYVKCLC-YKUAXSNGSA-N 2 2 336.426 3.165 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796076 458894529 /nfs/dbraw/zinc/89/45/29/458894529.db2.gz PNFYYYCWYVKCLC-YKUAXSNGSA-N 2 2 336.426 3.165 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+]CCCc2c(F)cccc2Cl)CCSC1 ZINC000518897487 458897287 /nfs/dbraw/zinc/89/72/87/458897287.db2.gz QLCNRPMADTUDJJ-INIZCTEOSA-N 2 2 330.900 3.439 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194678 458898010 /nfs/dbraw/zinc/89/80/10/458898010.db2.gz GIPVRFGEQVFIKF-FXAWDEMLSA-N 2 2 349.478 3.176 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474800559 458901794 /nfs/dbraw/zinc/90/17/94/458901794.db2.gz MXDXDXRQPPHZQA-MELADBBJSA-N 2 2 330.925 3.451 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474800559 458901798 /nfs/dbraw/zinc/90/17/98/458901798.db2.gz MXDXDXRQPPHZQA-MELADBBJSA-N 2 2 330.925 3.451 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223310 458903274 /nfs/dbraw/zinc/90/32/74/458903274.db2.gz GSPVJVLLQKVHDE-FXAWDEMLSA-N 2 2 349.478 3.348 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223310 458903275 /nfs/dbraw/zinc/90/32/75/458903275.db2.gz GSPVJVLLQKVHDE-FXAWDEMLSA-N 2 2 349.478 3.348 20 0 EGADLP Fc1ccc(Br)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000519124081 458917710 /nfs/dbraw/zinc/91/77/10/458917710.db2.gz SIODTQANWVJLSP-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441333099 458921590 /nfs/dbraw/zinc/92/15/90/458921590.db2.gz AAVBLEZVCWRLTE-WOJBJXKFSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441333099 458921597 /nfs/dbraw/zinc/92/15/97/458921597.db2.gz AAVBLEZVCWRLTE-WOJBJXKFSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441333099 458921605 /nfs/dbraw/zinc/92/16/05/458921605.db2.gz AAVBLEZVCWRLTE-WOJBJXKFSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441333099 458921611 /nfs/dbraw/zinc/92/16/11/458921611.db2.gz AAVBLEZVCWRLTE-WOJBJXKFSA-N 2 2 345.531 3.402 20 0 EGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000556083919 458926345 /nfs/dbraw/zinc/92/63/45/458926345.db2.gz QMZICQTYLWPCLD-IBGZPJMESA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000556083919 458926349 /nfs/dbraw/zinc/92/63/49/458926349.db2.gz QMZICQTYLWPCLD-IBGZPJMESA-N 2 2 332.488 3.161 20 0 EGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000566428723 458930712 /nfs/dbraw/zinc/93/07/12/458930712.db2.gz KSUFNUGUNQUWDG-MXVIHJGJSA-N 2 2 340.467 3.444 20 0 EGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000566428723 458930716 /nfs/dbraw/zinc/93/07/16/458930716.db2.gz KSUFNUGUNQUWDG-MXVIHJGJSA-N 2 2 340.467 3.444 20 0 EGADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000475697248 458959281 /nfs/dbraw/zinc/95/92/81/458959281.db2.gz STWWEBLJZJLBMZ-INIZCTEOSA-N 2 2 336.907 3.447 20 0 EGADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000475697248 458959291 /nfs/dbraw/zinc/95/92/91/458959291.db2.gz STWWEBLJZJLBMZ-INIZCTEOSA-N 2 2 336.907 3.447 20 0 EGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCOCC1 ZINC000519704638 458990806 /nfs/dbraw/zinc/99/08/06/458990806.db2.gz FGHXTDOQSAYRJK-BEFAXECRSA-N 2 2 336.907 3.219 20 0 EGADLP C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000519831596 459013075 /nfs/dbraw/zinc/01/30/75/459013075.db2.gz CXLRMBNFACMWMB-KBXCAEBGSA-N 2 2 333.863 3.468 20 0 EGADLP C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCCc1c[nH+]cn1C ZINC000519831596 459013082 /nfs/dbraw/zinc/01/30/82/459013082.db2.gz CXLRMBNFACMWMB-KBXCAEBGSA-N 2 2 333.863 3.468 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759671 459031541 /nfs/dbraw/zinc/03/15/41/459031541.db2.gz RVBZWEJFCDWPTR-XYPWUTKMSA-N 2 2 329.488 3.137 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442759671 459031543 /nfs/dbraw/zinc/03/15/43/459031543.db2.gz RVBZWEJFCDWPTR-XYPWUTKMSA-N 2 2 329.488 3.137 20 0 EGADLP CSc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000442798229 459038080 /nfs/dbraw/zinc/03/80/80/459038080.db2.gz WDJYERGDQCKIHY-DOTOQJQBSA-N 2 2 349.544 3.002 20 0 EGADLP CSc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000442798229 459038086 /nfs/dbraw/zinc/03/80/86/459038086.db2.gz WDJYERGDQCKIHY-DOTOQJQBSA-N 2 2 349.544 3.002 20 0 EGADLP Cc1ccc(C)c(OCCC[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000577528733 459048042 /nfs/dbraw/zinc/04/80/42/459048042.db2.gz YMARAWQMKWGRFG-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP Cc1ccc(C)c(OCCC[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000577528733 459048046 /nfs/dbraw/zinc/04/80/46/459048046.db2.gz YMARAWQMKWGRFG-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP CC[N@H+](CCCNC(=O)NCC[NH+](C)C1CCCC1)c1ccccc1 ZINC000520550599 459070831 /nfs/dbraw/zinc/07/08/31/459070831.db2.gz ANKRZCBTQWOETR-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CC[N@@H+](CCCNC(=O)NCC[NH+](C)C1CCCC1)c1ccccc1 ZINC000520550599 459070837 /nfs/dbraw/zinc/07/08/37/459070837.db2.gz ANKRZCBTQWOETR-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CC[NH+](CCCNC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000520550599 459070841 /nfs/dbraw/zinc/07/08/41/459070841.db2.gz ANKRZCBTQWOETR-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CC[NH+](CCCNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000520550599 459070844 /nfs/dbraw/zinc/07/08/44/459070844.db2.gz ANKRZCBTQWOETR-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000594520853 459076995 /nfs/dbraw/zinc/07/69/95/459076995.db2.gz QEBUVDOJPFRMHD-OPQOLIRYSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000594520853 459076998 /nfs/dbraw/zinc/07/69/98/459076998.db2.gz QEBUVDOJPFRMHD-OPQOLIRYSA-N 2 2 336.520 3.493 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c[nH+]c12 ZINC000496132697 459080756 /nfs/dbraw/zinc/08/07/56/459080756.db2.gz GMAOQZOBLZBGNU-KBPBESRZSA-N 2 2 332.448 3.034 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000567641270 459138408 /nfs/dbraw/zinc/13/84/08/459138408.db2.gz PWPJIGNIUQRMKK-QBIMZIAESA-N 2 2 334.460 3.333 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000496433585 459191659 /nfs/dbraw/zinc/19/16/59/459191659.db2.gz TXWDMFWJKYSRPT-LSDHHAIUSA-N 2 2 348.491 3.145 20 0 EGADLP c1nc2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2[nH]1 ZINC000521905543 459192095 /nfs/dbraw/zinc/19/20/95/459192095.db2.gz VNZMTZFXPFWXIL-INIZCTEOSA-N 2 2 335.455 3.475 20 0 EGADLP c1nc2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)ccc2[nH]1 ZINC000521905543 459192106 /nfs/dbraw/zinc/19/21/06/459192106.db2.gz VNZMTZFXPFWXIL-INIZCTEOSA-N 2 2 335.455 3.475 20 0 EGADLP c1nc2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000521905543 459192112 /nfs/dbraw/zinc/19/21/12/459192112.db2.gz VNZMTZFXPFWXIL-INIZCTEOSA-N 2 2 335.455 3.475 20 0 EGADLP c1nc2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000521905543 459192120 /nfs/dbraw/zinc/19/21/20/459192120.db2.gz VNZMTZFXPFWXIL-INIZCTEOSA-N 2 2 335.455 3.475 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)ccc2n1C1CC1 ZINC000578648079 459237132 /nfs/dbraw/zinc/23/71/32/459237132.db2.gz ZRUZJWOVITZWPK-UHFFFAOYSA-N 2 2 346.434 3.213 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1Oc1cc[nH+]cc1 ZINC000522365920 459239892 /nfs/dbraw/zinc/23/98/92/459239892.db2.gz KZJNRUHSZJCXMQ-INIZCTEOSA-N 2 2 337.423 3.149 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1Oc1cc[nH+]cc1 ZINC000522365920 459239899 /nfs/dbraw/zinc/23/98/99/459239899.db2.gz KZJNRUHSZJCXMQ-INIZCTEOSA-N 2 2 337.423 3.149 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000559741519 459275869 /nfs/dbraw/zinc/27/58/69/459275869.db2.gz UJRKZWQQZMPQGN-HXUWFJFHSA-N 2 2 340.442 3.383 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@H]1SC ZINC000590957351 459281649 /nfs/dbraw/zinc/28/16/49/459281649.db2.gz NHWSDIITQPBWOE-IMBTUZDBSA-N 2 2 345.512 3.203 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496701806 459292618 /nfs/dbraw/zinc/29/26/18/459292618.db2.gz MYYQBQFOQUHDHG-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)CCC2 ZINC000568511332 459301147 /nfs/dbraw/zinc/30/11/47/459301147.db2.gz UNMHZAARVUKUOV-QFBILLFUSA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)CCC2 ZINC000568511332 459301153 /nfs/dbraw/zinc/30/11/53/459301153.db2.gz UNMHZAARVUKUOV-QFBILLFUSA-N 2 2 334.529 3.222 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082752 459309005 /nfs/dbraw/zinc/30/90/05/459309005.db2.gz KPGJEEJWZOHOQP-CZUORRHYSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082752 459309013 /nfs/dbraw/zinc/30/90/13/459309013.db2.gz KPGJEEJWZOHOQP-CZUORRHYSA-N 2 2 332.835 3.201 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000568654432 459324783 /nfs/dbraw/zinc/32/47/83/459324783.db2.gz QIKFKSAOFDSEOW-IRXDYDNUSA-N 2 2 347.503 3.122 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000496819901 459335994 /nfs/dbraw/zinc/33/59/94/459335994.db2.gz MNDXQFKCDOECHM-CWRNSKLLSA-N 2 2 348.491 3.083 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000496819901 459335999 /nfs/dbraw/zinc/33/59/99/459335999.db2.gz MNDXQFKCDOECHM-CWRNSKLLSA-N 2 2 348.491 3.083 20 0 EGADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(Br)c1 ZINC000560404999 459339593 /nfs/dbraw/zinc/33/95/93/459339593.db2.gz KIINMOIWVRBXNQ-ZIAGYGMSSA-N 2 2 325.294 3.484 20 0 EGADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(Br)c1 ZINC000560404999 459339596 /nfs/dbraw/zinc/33/95/96/459339596.db2.gz KIINMOIWVRBXNQ-ZIAGYGMSSA-N 2 2 325.294 3.484 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764251 459340766 /nfs/dbraw/zinc/34/07/66/459340766.db2.gz OPTHYRSRBNPLFH-CXAGYDPISA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764251 459340769 /nfs/dbraw/zinc/34/07/69/459340769.db2.gz OPTHYRSRBNPLFH-CXAGYDPISA-N 2 2 333.501 3.082 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524594215 459373060 /nfs/dbraw/zinc/37/30/60/459373060.db2.gz HRJPKSIWVHRDOJ-UYAOXDASSA-N 2 2 343.515 3.156 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524594215 459373063 /nfs/dbraw/zinc/37/30/63/459373063.db2.gz HRJPKSIWVHRDOJ-UYAOXDASSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)c2C1 ZINC000582555515 459385402 /nfs/dbraw/zinc/38/54/02/459385402.db2.gz OIUFJTIVNVIABA-AWEZNQCLSA-N 2 2 326.444 3.199 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)c2C1 ZINC000582555515 459385405 /nfs/dbraw/zinc/38/54/05/459385405.db2.gz OIUFJTIVNVIABA-AWEZNQCLSA-N 2 2 326.444 3.199 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)c2C1 ZINC000582555515 459385412 /nfs/dbraw/zinc/38/54/12/459385412.db2.gz OIUFJTIVNVIABA-AWEZNQCLSA-N 2 2 326.444 3.199 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)c2C1 ZINC000582555515 459385417 /nfs/dbraw/zinc/38/54/17/459385417.db2.gz OIUFJTIVNVIABA-AWEZNQCLSA-N 2 2 326.444 3.199 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591458061 459386389 /nfs/dbraw/zinc/38/63/89/459386389.db2.gz RXZXSHNSRIDAIE-RBUKOAKNSA-N 2 2 340.471 3.130 20 0 EGADLP CC(C)COc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484662048 459425491 /nfs/dbraw/zinc/42/54/91/459425491.db2.gz FTONIKGQKALVLP-LJQANCHMSA-N 2 2 346.515 3.266 20 0 EGADLP CC(C)COc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000484662048 459425497 /nfs/dbraw/zinc/42/54/97/459425497.db2.gz FTONIKGQKALVLP-LJQANCHMSA-N 2 2 346.515 3.266 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc(C)n1 ZINC000569361550 459439310 /nfs/dbraw/zinc/43/93/10/459439310.db2.gz FEVSNRKGGQPBDV-IBGZPJMESA-N 2 2 336.483 3.380 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc(C)n1 ZINC000569361550 459439311 /nfs/dbraw/zinc/43/93/11/459439311.db2.gz FEVSNRKGGQPBDV-IBGZPJMESA-N 2 2 336.483 3.380 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000561291847 459440239 /nfs/dbraw/zinc/44/02/39/459440239.db2.gz HENQTXVFYQJHRX-RZUBCFFCSA-N 2 2 343.559 3.213 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000561291847 459440245 /nfs/dbraw/zinc/44/02/45/459440245.db2.gz HENQTXVFYQJHRX-RZUBCFFCSA-N 2 2 343.559 3.213 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866967 459458301 /nfs/dbraw/zinc/45/83/01/459458301.db2.gz LDWDOQGASXPWNZ-INIZCTEOSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866967 459458305 /nfs/dbraw/zinc/45/83/05/459458305.db2.gz LDWDOQGASXPWNZ-INIZCTEOSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867944 459459354 /nfs/dbraw/zinc/45/93/54/459459354.db2.gz UMZQDZQOMXLBQW-INIZCTEOSA-N 2 2 326.444 3.282 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867944 459459362 /nfs/dbraw/zinc/45/93/62/459459362.db2.gz UMZQDZQOMXLBQW-INIZCTEOSA-N 2 2 326.444 3.282 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867989 459460284 /nfs/dbraw/zinc/46/02/84/459460284.db2.gz VNHMGGXIVGSWRN-QUCCMNQESA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867989 459460291 /nfs/dbraw/zinc/46/02/91/459460291.db2.gz VNHMGGXIVGSWRN-QUCCMNQESA-N 2 2 340.471 3.034 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495592 459461515 /nfs/dbraw/zinc/46/15/15/459461515.db2.gz HHPATHVIQKDGSI-HZPDHXFCSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495592 459461522 /nfs/dbraw/zinc/46/15/22/459461522.db2.gz HHPATHVIQKDGSI-HZPDHXFCSA-N 2 2 339.439 3.229 20 0 EGADLP CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCn1cc[nH+]c1 ZINC000595913987 459484443 /nfs/dbraw/zinc/48/44/43/459484443.db2.gz CBHMMVBVDWWUTK-GOSISDBHSA-N 2 2 341.455 3.214 20 0 EGADLP CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000595913987 459484446 /nfs/dbraw/zinc/48/44/46/459484446.db2.gz CBHMMVBVDWWUTK-GOSISDBHSA-N 2 2 341.455 3.214 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccccc1)c1cncnc1)CCC2 ZINC000541734061 459484462 /nfs/dbraw/zinc/48/44/62/459484462.db2.gz LSAHTKXHWMLTIH-MJGOQNOKSA-N 2 2 333.439 3.238 20 0 EGADLP O[C@@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000569686340 459493537 /nfs/dbraw/zinc/49/35/37/459493537.db2.gz LXQWJRWSOYZNFL-IBGZPJMESA-N 2 2 327.472 3.005 20 0 EGADLP CC[NH+]1CCC(CNc2cc(COC)[nH+]c3ccc(F)cc23)CC1 ZINC000562230155 459519664 /nfs/dbraw/zinc/51/96/64/459519664.db2.gz OKLVYTGMQDFRBI-UHFFFAOYSA-N 2 2 331.435 3.086 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000583372244 459527107 /nfs/dbraw/zinc/52/71/07/459527107.db2.gz NNFQVNURELOSDN-WIYYLYMNSA-N 2 2 340.467 3.119 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000583372244 459527109 /nfs/dbraw/zinc/52/71/09/459527109.db2.gz NNFQVNURELOSDN-WIYYLYMNSA-N 2 2 340.467 3.119 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)C2 ZINC000526001650 459529480 /nfs/dbraw/zinc/52/94/80/459529480.db2.gz UELYFNOALPQBQB-OAHLLOKOSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)C2 ZINC000526001650 459529485 /nfs/dbraw/zinc/52/94/85/459529485.db2.gz UELYFNOALPQBQB-OAHLLOKOSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)CC2 ZINC000526001650 459529489 /nfs/dbraw/zinc/52/94/89/459529489.db2.gz UELYFNOALPQBQB-OAHLLOKOSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)CC2 ZINC000526001650 459529494 /nfs/dbraw/zinc/52/94/94/459529494.db2.gz UELYFNOALPQBQB-OAHLLOKOSA-N 2 2 346.519 3.019 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000583449130 459540857 /nfs/dbraw/zinc/54/08/57/459540857.db2.gz CFQMYBICIOJWEV-KXBFYZLASA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000583449130 459540864 /nfs/dbraw/zinc/54/08/64/459540864.db2.gz CFQMYBICIOJWEV-KXBFYZLASA-N 2 2 348.450 3.036 20 0 EGADLP C[C@@H](CCNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000562612728 459602248 /nfs/dbraw/zinc/60/22/48/459602248.db2.gz HSQKKPXTFFHDKY-PXNSSMCTSA-N 2 2 338.499 3.250 20 0 EGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)o1 ZINC000584061021 459645286 /nfs/dbraw/zinc/64/52/86/459645286.db2.gz VLCXKHMODRQVOB-CYBMUJFWSA-N 2 2 328.441 3.435 20 0 EGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cs2)o1 ZINC000584061021 459645291 /nfs/dbraw/zinc/64/52/91/459645291.db2.gz VLCXKHMODRQVOB-CYBMUJFWSA-N 2 2 328.441 3.435 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000573339775 459662744 /nfs/dbraw/zinc/66/27/44/459662744.db2.gz XEGUGQXMXCVELI-HOTGVXAUSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@@H]1CCC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543620093 459675936 /nfs/dbraw/zinc/67/59/36/459675936.db2.gz VGHFEKYWOZBYKF-GDBMZVCRSA-N 2 2 328.460 3.038 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000573436739 459677634 /nfs/dbraw/zinc/67/76/34/459677634.db2.gz FUSZTMWYMIYBFG-ATZDWAIDSA-N 2 2 335.923 3.455 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527649300 459683884 /nfs/dbraw/zinc/68/38/84/459683884.db2.gz NHJUXSAMTGTZQP-LLVKDONJSA-N 2 2 346.700 3.317 20 0 EGADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000527649001 459684593 /nfs/dbraw/zinc/68/45/93/459684593.db2.gz MHQWBCVXPSSCOQ-GFCCVEGCSA-N 2 2 327.350 3.336 20 0 EGADLP C[C@@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C1=CC[N@@H+](C)CC1 ZINC000573507549 459689259 /nfs/dbraw/zinc/68/92/59/459689259.db2.gz HTPNQJPMZGXVFZ-OAHLLOKOSA-N 2 2 337.423 3.254 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)Oc2ccc(Br)cc2)n1C ZINC000573863195 459748264 /nfs/dbraw/zinc/74/82/64/459748264.db2.gz JAOBOGIHSPPHKH-NSHDSACASA-N 2 2 338.249 3.048 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544349259 459750876 /nfs/dbraw/zinc/75/08/76/459750876.db2.gz WUMBOLXXKHQKJT-FCHUYYIVSA-N 2 2 338.495 3.234 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544349259 459750882 /nfs/dbraw/zinc/75/08/82/459750882.db2.gz WUMBOLXXKHQKJT-FCHUYYIVSA-N 2 2 338.495 3.234 20 0 EGADLP CC(C)[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc(F)ccc1F ZINC000584715408 459789308 /nfs/dbraw/zinc/78/93/08/459789308.db2.gz RQJVNQDIIGHJDD-QGZVFWFLSA-N 2 2 349.429 3.037 20 0 EGADLP Cn1cncc1[C@H]1[C@H](CNc2[nH+]ccc3ccccc32)CCC[N@@H+]1C ZINC000528013523 459797138 /nfs/dbraw/zinc/79/71/38/459797138.db2.gz AGMVZJSFRYDQAL-QFBILLFUSA-N 2 2 335.455 3.463 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000574382284 459811384 /nfs/dbraw/zinc/81/13/84/459811384.db2.gz XKNFUGTVXWQTAF-HXUWFJFHSA-N 2 2 348.450 3.062 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000574512299 459828594 /nfs/dbraw/zinc/82/85/94/459828594.db2.gz OXCZARGPZQRVPF-IIBYNOLFSA-N 2 2 337.467 3.489 20 0 EGADLP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC000566305416 459839547 /nfs/dbraw/zinc/83/95/47/459839547.db2.gz WMMBHTKHWYLYQL-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP CC(C)[C@H](C[NH2+]Cc1c[nH]c2nccnc12)[N@@H+]1CCc2ccccc2C1 ZINC000574682609 459853956 /nfs/dbraw/zinc/85/39/56/459853956.db2.gz SAUXSHYWZRIKDQ-IBGZPJMESA-N 2 2 349.482 3.082 20 0 EGADLP CC(C)[C@H](C[NH2+]Cc1c[nH]c2nccnc12)[N@H+]1CCc2ccccc2C1 ZINC000574682609 459853966 /nfs/dbraw/zinc/85/39/66/459853966.db2.gz SAUXSHYWZRIKDQ-IBGZPJMESA-N 2 2 349.482 3.082 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)[nH+]1 ZINC000574768334 459869565 /nfs/dbraw/zinc/86/95/65/459869565.db2.gz VKVHGIADRFCCHT-UHFFFAOYSA-N 2 2 344.484 3.418 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000575203067 459948113 /nfs/dbraw/zinc/94/81/13/459948113.db2.gz CTRLIBYOLPAUOK-CQSZACIVSA-N 2 2 339.468 3.032 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000575203067 459948117 /nfs/dbraw/zinc/94/81/17/459948117.db2.gz CTRLIBYOLPAUOK-CQSZACIVSA-N 2 2 339.468 3.032 20 0 EGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690430 459970250 /nfs/dbraw/zinc/97/02/50/459970250.db2.gz YFLBHNCMRNUGND-HKUYNNGSSA-N 2 2 342.483 3.147 20 0 EGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690430 459970254 /nfs/dbraw/zinc/97/02/54/459970254.db2.gz YFLBHNCMRNUGND-HKUYNNGSSA-N 2 2 342.483 3.147 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cc2ccccc2s1 ZINC000588690832 459970672 /nfs/dbraw/zinc/97/06/72/459970672.db2.gz JAUHPDOBLLEORU-SFHVURJKSA-N 2 2 340.492 3.484 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cc2ccccc2s1 ZINC000588690832 459970680 /nfs/dbraw/zinc/97/06/80/459970680.db2.gz JAUHPDOBLLEORU-SFHVURJKSA-N 2 2 340.492 3.484 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3)o2)cc1 ZINC000614238743 460062416 /nfs/dbraw/zinc/06/24/16/460062416.db2.gz RYHQCGDAFNUGTB-UHFFFAOYSA-N 2 2 339.395 3.110 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000576289561 460109164 /nfs/dbraw/zinc/10/91/64/460109164.db2.gz ILPLDWACOJIWJZ-RXVVDRJESA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000576289561 460109169 /nfs/dbraw/zinc/10/91/69/460109169.db2.gz ILPLDWACOJIWJZ-RXVVDRJESA-N 2 2 346.515 3.338 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000599026165 460130911 /nfs/dbraw/zinc/13/09/11/460130911.db2.gz BWNFJZCQVCPXQV-LYBXBRPPSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000599026165 460130918 /nfs/dbraw/zinc/13/09/18/460130918.db2.gz BWNFJZCQVCPXQV-LYBXBRPPSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000599030296 460133497 /nfs/dbraw/zinc/13/34/97/460133497.db2.gz KFQLHPHIOZJIRG-OYGLOCFBSA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599030296 460133504 /nfs/dbraw/zinc/13/35/04/460133504.db2.gz KFQLHPHIOZJIRG-OYGLOCFBSA-N 2 2 344.499 3.361 20 0 EGADLP C[C@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC[NH+](C)CC1 ZINC000603333688 460286946 /nfs/dbraw/zinc/28/69/46/460286946.db2.gz AJZXUYOTTRRKIC-HNNXBMFYSA-N 2 2 339.439 3.334 20 0 EGADLP c1coc(-c2nc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cs2)c1 ZINC000603516758 460315560 /nfs/dbraw/zinc/31/55/60/460315560.db2.gz DADGOPNFGMMRSM-MRXNPFEDSA-N 2 2 347.484 3.136 20 0 EGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517308 460315625 /nfs/dbraw/zinc/31/56/25/460315625.db2.gz OHGWEIFVIGWTLQ-QGZVFWFLSA-N 2 2 338.879 3.082 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000622792565 460316259 /nfs/dbraw/zinc/31/62/59/460316259.db2.gz RJXQAWNGCWHBSM-INIZCTEOSA-N 2 2 337.552 3.124 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000611442297 460366423 /nfs/dbraw/zinc/36/64/23/460366423.db2.gz RYIYOJNXONNNCJ-UHFFFAOYSA-N 2 2 334.460 3.343 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000631445216 460383032 /nfs/dbraw/zinc/38/30/32/460383032.db2.gz QYUMOBMMTUECAS-UHFFFAOYSA-N 2 2 330.476 3.126 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000634732407 460498600 /nfs/dbraw/zinc/49/86/00/460498600.db2.gz FVQYWOBLAACQJQ-HXUWFJFHSA-N 3 2 347.522 3.200 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000631664910 460499668 /nfs/dbraw/zinc/49/96/68/460499668.db2.gz RZBWQAMDWMVBNH-UHOSZYNNSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000631664910 460499674 /nfs/dbraw/zinc/49/96/74/460499674.db2.gz RZBWQAMDWMVBNH-UHOSZYNNSA-N 2 2 326.488 3.229 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665825 460499715 /nfs/dbraw/zinc/49/97/15/460499715.db2.gz YCJCZOCHSMLQJH-JENIJYKNSA-N 2 2 326.488 3.322 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665825 460499721 /nfs/dbraw/zinc/49/97/21/460499721.db2.gz YCJCZOCHSMLQJH-JENIJYKNSA-N 2 2 326.488 3.322 20 0 EGADLP CCc1cc(N2CCC[C@H](C)[C@@H]2CC[NH3+])nc(-c2ccncc2)[nH+]1 ZINC000634811553 460532533 /nfs/dbraw/zinc/53/25/33/460532533.db2.gz JAQSVSAFQIHRJL-YOEHRIQHSA-N 2 2 325.460 3.055 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1C(F)(F)F ZINC000623898027 460767864 /nfs/dbraw/zinc/76/78/64/460767864.db2.gz XNRIMCHJAPDISF-QWHCGFSZSA-N 2 2 348.384 3.463 20 0 EGADLP Cc1cn2ccc(C(=O)N3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)cc2[nH+]1 ZINC000635451474 460791136 /nfs/dbraw/zinc/79/11/36/460791136.db2.gz RZNNCZMMECUDSH-BQFCYCMXSA-N 2 2 340.471 3.120 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629550445 460804207 /nfs/dbraw/zinc/80/42/07/460804207.db2.gz MOBRKIVHJASINU-OXJNMPFZSA-N 2 2 326.484 3.474 20 0 EGADLP O[C@H](C[NH2+]Cc1ccccc1Oc1ccccc1)C[NH+]1CCCC1 ZINC000629558514 460807426 /nfs/dbraw/zinc/80/74/26/460807426.db2.gz IWDIREBPRLUBJZ-GOSISDBHSA-N 2 2 326.440 3.025 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H]1C(F)(F)F ZINC000629559698 460807782 /nfs/dbraw/zinc/80/77/82/460807782.db2.gz BRPPHJWOHFRMNN-CABZTGNLSA-N 2 2 341.299 3.060 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H]1C(F)(F)F ZINC000629559698 460807788 /nfs/dbraw/zinc/80/77/88/460807788.db2.gz BRPPHJWOHFRMNN-CABZTGNLSA-N 2 2 341.299 3.060 20 0 EGADLP CCCCOc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000629575991 460813055 /nfs/dbraw/zinc/81/30/55/460813055.db2.gz KUJHTHYVEGCONZ-MRXNPFEDSA-N 2 2 340.895 3.065 20 0 EGADLP Cc1cc(NC[C@H](O)C[NH+]2CCCC2)ccc1Oc1cc[nH+]cc1 ZINC000629581752 460814635 /nfs/dbraw/zinc/81/46/35/460814635.db2.gz FYMDSHFXDIOEKF-KRWDZBQOSA-N 2 2 327.428 3.051 20 0 EGADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)CC2 ZINC000627571963 460847561 /nfs/dbraw/zinc/84/75/61/460847561.db2.gz NQZSWYWEVXJBST-HNNXBMFYSA-N 2 2 349.438 3.007 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657249 460851245 /nfs/dbraw/zinc/85/12/45/460851245.db2.gz VFMCYXXYCOJRPV-PWSUYJOCSA-N 2 2 335.439 3.400 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629657249 460851251 /nfs/dbraw/zinc/85/12/51/460851251.db2.gz VFMCYXXYCOJRPV-PWSUYJOCSA-N 2 2 335.439 3.400 20 0 EGADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086765 460851890 /nfs/dbraw/zinc/85/18/90/460851890.db2.gz VKOPYCLWQUYBEC-BXWFABGCSA-N 2 2 331.504 3.191 20 0 EGADLP CC[C@H](C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086765 460851892 /nfs/dbraw/zinc/85/18/92/460851892.db2.gz VKOPYCLWQUYBEC-BXWFABGCSA-N 2 2 331.504 3.191 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123446 460873254 /nfs/dbraw/zinc/87/32/54/460873254.db2.gz MASPYHVBNLZFAU-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123446 460873261 /nfs/dbraw/zinc/87/32/61/460873261.db2.gz MASPYHVBNLZFAU-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702152 460875175 /nfs/dbraw/zinc/87/51/75/460875175.db2.gz IPYZCTUYNMXQPW-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702152 460875178 /nfs/dbraw/zinc/87/51/78/460875178.db2.gz IPYZCTUYNMXQPW-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP COCCCCNc1ccc(-c2ccc(C[NH+](C)C)c(F)c2)c[nH+]1 ZINC000629708233 460880079 /nfs/dbraw/zinc/88/00/79/460880079.db2.gz BFHBILXKPMYICJ-UHFFFAOYSA-N 2 2 331.435 3.210 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cccc([C@H]3C[NH2+]CCO3)c2)c1 ZINC000629731293 460893242 /nfs/dbraw/zinc/89/32/42/460893242.db2.gz IRNMFYPDIZCSGX-HXUWFJFHSA-N 2 2 337.398 3.398 20 0 EGADLP COCCCCNc1ccc(-c2cc(C[NH+](C)C)ccc2F)c[nH+]1 ZINC000629737406 460896531 /nfs/dbraw/zinc/89/65/31/460896531.db2.gz SFGHANSRCQTYRW-UHFFFAOYSA-N 2 2 331.435 3.210 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000621328102 460989802 /nfs/dbraw/zinc/98/98/02/460989802.db2.gz GRSADXODFGAJIL-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621328102 460989804 /nfs/dbraw/zinc/98/98/04/460989804.db2.gz GRSADXODFGAJIL-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000621334352 460992674 /nfs/dbraw/zinc/99/26/74/460992674.db2.gz CBXNNGPTRJHQCW-LPHOPBHVSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000621334352 460992681 /nfs/dbraw/zinc/99/26/81/460992681.db2.gz CBXNNGPTRJHQCW-LPHOPBHVSA-N 2 2 325.456 3.405 20 0 EGADLP CN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C(C)(C)C[NH+]1CCCC1 ZINC000633452271 461086306 /nfs/dbraw/zinc/08/63/06/461086306.db2.gz CMWAGAWLPDMCQH-UHFFFAOYSA-N 2 2 326.444 3.023 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCCCC1 ZINC000630446006 461120641 /nfs/dbraw/zinc/12/06/41/461120641.db2.gz NIRVIXXAHUIDFI-UHFFFAOYSA-N 2 2 326.444 3.071 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364011 461157935 /nfs/dbraw/zinc/15/79/35/461157935.db2.gz UXFYVVBAYVTBLK-WQVCFCJDSA-N 2 2 344.286 3.249 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364011 461157942 /nfs/dbraw/zinc/15/79/42/461157942.db2.gz UXFYVVBAYVTBLK-WQVCFCJDSA-N 2 2 344.286 3.249 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)n1C ZINC000668178151 461162031 /nfs/dbraw/zinc/16/20/31/461162031.db2.gz OKMZXKZUOBCTDB-UHFFFAOYSA-N 2 2 328.391 3.388 20 0 EGADLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000662303720 461179169 /nfs/dbraw/zinc/17/91/69/461179169.db2.gz DZBOCEZCURRNFG-UHFFFAOYSA-N 2 2 326.415 3.328 20 0 EGADLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000662303720 461179178 /nfs/dbraw/zinc/17/91/78/461179178.db2.gz DZBOCEZCURRNFG-UHFFFAOYSA-N 2 2 326.415 3.328 20 0 EGADLP Cc1nnsc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000649568079 461182849 /nfs/dbraw/zinc/18/28/49/461182849.db2.gz NXBQEQUYYSSQJF-AWEZNQCLSA-N 2 2 327.457 3.169 20 0 EGADLP Cc1nnsc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000649568079 461182856 /nfs/dbraw/zinc/18/28/56/461182856.db2.gz NXBQEQUYYSSQJF-AWEZNQCLSA-N 2 2 327.457 3.169 20 0 EGADLP O=C(NCCC[NH+]1CCCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630577787 461200646 /nfs/dbraw/zinc/20/06/46/461200646.db2.gz YMKVHGWEDKRYFO-UHFFFAOYSA-N 2 2 326.444 3.073 20 0 EGADLP Cc1nnsc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000649596047 461204937 /nfs/dbraw/zinc/20/49/37/461204937.db2.gz HSGVYFUNDJHBLE-UHFFFAOYSA-N 2 2 347.875 3.399 20 0 EGADLP Cc1nnsc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000649596047 461204941 /nfs/dbraw/zinc/20/49/41/461204941.db2.gz HSGVYFUNDJHBLE-UHFFFAOYSA-N 2 2 347.875 3.399 20 0 EGADLP COc1cc2[nH+]ccc(N3CCC[C@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000665698142 461213812 /nfs/dbraw/zinc/21/38/12/461213812.db2.gz TZMCTNJJRYXFEO-AWEZNQCLSA-N 2 2 338.411 3.290 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298581 461234467 /nfs/dbraw/zinc/23/44/67/461234467.db2.gz DGRQAWJJDFFIJG-HXUWFJFHSA-N 2 2 346.515 3.471 20 0 EGADLP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298581 461234474 /nfs/dbraw/zinc/23/44/74/461234474.db2.gz DGRQAWJJDFFIJG-HXUWFJFHSA-N 2 2 346.515 3.471 20 0 EGADLP C[C@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000638137769 461264371 /nfs/dbraw/zinc/26/43/71/461264371.db2.gz NJCABWBLWOROOC-WSWWRLHASA-N 2 2 341.543 3.138 20 0 EGADLP C[C@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000638137769 461264374 /nfs/dbraw/zinc/26/43/74/461264374.db2.gz NJCABWBLWOROOC-WSWWRLHASA-N 2 2 341.543 3.138 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2[nH+]c1C(C)(C)C ZINC000655471561 461267385 /nfs/dbraw/zinc/26/73/85/461267385.db2.gz QRMRRCCINMFDIZ-VLIAUNLRSA-N 2 2 340.471 3.199 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000630738555 461277706 /nfs/dbraw/zinc/27/77/06/461277706.db2.gz PQFCFQOOZXGWII-HUUCEWRRSA-N 2 2 326.444 3.069 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCCC[C@H]1C ZINC000630738555 461277713 /nfs/dbraw/zinc/27/77/13/461277713.db2.gz PQFCFQOOZXGWII-HUUCEWRRSA-N 2 2 326.444 3.069 20 0 EGADLP CSc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000641740575 461344571 /nfs/dbraw/zinc/34/45/71/461344571.db2.gz AUOJXNOITIXPEX-AWEZNQCLSA-N 2 2 332.473 3.149 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)c1ccccc1 ZINC000638288148 461348434 /nfs/dbraw/zinc/34/84/34/461348434.db2.gz ZZJZTSAJWGHUCW-NZSAHSFTSA-N 2 2 331.504 3.106 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638324701 461369590 /nfs/dbraw/zinc/36/95/90/461369590.db2.gz UIUNYCMFOLQVEN-PZJWPPBQSA-N 2 2 349.478 3.243 20 0 EGADLP NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638324701 461369593 /nfs/dbraw/zinc/36/95/93/461369593.db2.gz UIUNYCMFOLQVEN-PZJWPPBQSA-N 2 2 349.478 3.243 20 0 EGADLP CC(C)C[C@@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000668669447 461374757 /nfs/dbraw/zinc/37/47/57/461374757.db2.gz SYTBKBWZCFGKIY-ZWKOTPCHSA-N 2 2 342.487 3.024 20 0 EGADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000641798194 461378774 /nfs/dbraw/zinc/37/87/74/461378774.db2.gz MJLYZBWSIPSTSO-SJORKVTESA-N 2 2 349.544 3.355 20 0 EGADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000641798194 461378779 /nfs/dbraw/zinc/37/87/79/461378779.db2.gz MJLYZBWSIPSTSO-SJORKVTESA-N 2 2 349.544 3.355 20 0 EGADLP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000668692735 461384540 /nfs/dbraw/zinc/38/45/40/461384540.db2.gz OEBDPDSLTZRQBY-DNOPENIRSA-N 2 2 336.426 3.054 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655719653 461389591 /nfs/dbraw/zinc/38/95/91/461389591.db2.gz UREBRUJYLIZAQD-JTDSTZFVSA-N 2 2 332.488 3.030 20 0 EGADLP CC(C)c1sc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1-c1ccccc1 ZINC000653066536 461484607 /nfs/dbraw/zinc/48/46/07/461484607.db2.gz WLULTPPHVWKREI-CQSZACIVSA-N 2 2 346.500 3.151 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849906 461498044 /nfs/dbraw/zinc/49/80/44/461498044.db2.gz QQZWCBXRQRWWRO-ZTFGCOKTSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849906 461498049 /nfs/dbraw/zinc/49/80/49/461498049.db2.gz QQZWCBXRQRWWRO-ZTFGCOKTSA-N 2 2 333.451 3.149 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631049265 461503204 /nfs/dbraw/zinc/50/32/04/461503204.db2.gz HPANNRSYGORURE-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631049265 461503209 /nfs/dbraw/zinc/50/32/09/461503209.db2.gz HPANNRSYGORURE-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655855391 461504766 /nfs/dbraw/zinc/50/47/66/461504766.db2.gz GJKGYDREQXEXOC-IRXDYDNUSA-N 2 2 348.487 3.209 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655855391 461504774 /nfs/dbraw/zinc/50/47/74/461504774.db2.gz GJKGYDREQXEXOC-IRXDYDNUSA-N 2 2 348.487 3.209 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)sn1 ZINC000638671924 461528374 /nfs/dbraw/zinc/52/83/74/461528374.db2.gz UQWKPUZVYNAYTK-WBMJQRKESA-N 2 2 337.514 3.386 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)sn1 ZINC000638671924 461528381 /nfs/dbraw/zinc/52/83/81/461528381.db2.gz UQWKPUZVYNAYTK-WBMJQRKESA-N 2 2 337.514 3.386 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCc3nsc4ccccc43)CC2)c1 ZINC000660015287 461546015 /nfs/dbraw/zinc/54/60/15/461546015.db2.gz RCORGCZYIZBKNO-UHFFFAOYSA-N 2 2 338.480 3.364 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000631108596 461557654 /nfs/dbraw/zinc/55/76/54/461557654.db2.gz RNMZSHZHJWKAAJ-MRXNPFEDSA-N 2 2 325.456 3.255 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000631108596 461557664 /nfs/dbraw/zinc/55/76/64/461557664.db2.gz RNMZSHZHJWKAAJ-MRXNPFEDSA-N 2 2 325.456 3.255 20 0 EGADLP CCn1nccc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000663349952 461580466 /nfs/dbraw/zinc/58/04/66/461580466.db2.gz WBONCJZVCKIIJF-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ncccc3C(F)(F)F)cn21 ZINC000647262668 461597569 /nfs/dbraw/zinc/59/75/69/461597569.db2.gz JGUNCGZAJYKXHG-UHFFFAOYSA-N 2 2 334.345 3.389 20 0 EGADLP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc3ccccc3c[nH+]2)C1 ZINC000631203392 461638397 /nfs/dbraw/zinc/63/83/97/461638397.db2.gz OOBCMHBVLANAFR-FQEVSTJZSA-N 2 2 333.435 3.414 20 0 EGADLP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc3ccccc3c[nH+]2)C1 ZINC000631203392 461638405 /nfs/dbraw/zinc/63/84/05/461638405.db2.gz OOBCMHBVLANAFR-FQEVSTJZSA-N 2 2 333.435 3.414 20 0 EGADLP Clc1cccc(Cl)c1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000656201379 461646253 /nfs/dbraw/zinc/64/62/53/461646253.db2.gz WPDIGHNQXAJEKX-IAGOWNOFSA-N 2 2 343.298 3.283 20 0 EGADLP c1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466151 461654919 /nfs/dbraw/zinc/65/49/19/461654919.db2.gz OOXNPYDOSJSOJJ-NQIIRXRSSA-N 2 2 336.483 3.278 20 0 EGADLP c1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466151 461654922 /nfs/dbraw/zinc/65/49/22/461654922.db2.gz OOXNPYDOSJSOJJ-NQIIRXRSSA-N 2 2 336.483 3.278 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000663508520 461678608 /nfs/dbraw/zinc/67/86/08/461678608.db2.gz BZLJKAJFMIFLRM-HNNXBMFYSA-N 2 2 338.430 3.376 20 0 EGADLP Brc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)[C@@H]2CCCO2)cc1 ZINC000643507166 461749065 /nfs/dbraw/zinc/74/90/65/461749065.db2.gz UVHFRCVNTYJVKV-HOTGVXAUSA-N 2 2 339.277 3.011 20 0 EGADLP Clc1ccccc1[C@@H]1C[NH2+]CCN1Cc1c[nH+]c2ccccn12 ZINC000647536192 461753351 /nfs/dbraw/zinc/75/33/51/461753351.db2.gz LVELVMUCBKHIHD-KRWDZBQOSA-N 2 2 326.831 3.134 20 0 EGADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000643527980 461754816 /nfs/dbraw/zinc/75/48/16/461754816.db2.gz WSIXNQXQTSIPCY-SFYZADRCSA-N 2 2 325.172 3.466 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OC(F)F ZINC000647554345 461764810 /nfs/dbraw/zinc/76/48/10/461764810.db2.gz XGPBSRDVJYJGFT-HNNXBMFYSA-N 2 2 326.387 3.061 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)c1cc(CO)cc(C)[nH+]1 ZINC000663710251 461766916 /nfs/dbraw/zinc/76/69/16/461766916.db2.gz VMGGVURXXUPARG-UHFFFAOYSA-N 2 2 333.501 3.292 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639176776 461782073 /nfs/dbraw/zinc/78/20/73/461782073.db2.gz KGECNHPOFYIOSM-JTQLQIEISA-N 2 2 325.243 3.299 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639176776 461782079 /nfs/dbraw/zinc/78/20/79/461782079.db2.gz KGECNHPOFYIOSM-JTQLQIEISA-N 2 2 325.243 3.299 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@H]1CCOC1 ZINC000639182398 461788228 /nfs/dbraw/zinc/78/82/28/461788228.db2.gz FSEPKNCJZUKRBH-PCCBWWKXSA-N 2 2 348.531 3.129 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)C[C@H]3CCCC(=O)N3)cc2)c1C ZINC000639199509 461797830 /nfs/dbraw/zinc/79/78/30/461797830.db2.gz YDAULQALNGPTDL-CXAGYDPISA-N 2 2 326.444 3.348 20 0 EGADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000639215724 461810211 /nfs/dbraw/zinc/81/02/11/461810211.db2.gz FYISNFDQRZNMPZ-UONOGXRCSA-N 2 2 346.862 3.063 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000647786252 461834286 /nfs/dbraw/zinc/83/42/86/461834286.db2.gz LQOAHXSXKQVJFQ-FNAHDJPLSA-N 3 2 341.543 3.437 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798813 461841684 /nfs/dbraw/zinc/84/16/84/461841684.db2.gz XTATWCCMXPTTHU-RRFJBIMHSA-N 3 2 330.863 3.003 20 0 EGADLP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc(C(C)C)c2)CC1 ZINC000660545005 461844953 /nfs/dbraw/zinc/84/49/53/461844953.db2.gz QQORBDJCKUUTRQ-UHFFFAOYSA-N 2 2 348.531 3.369 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000647924058 461889656 /nfs/dbraw/zinc/88/96/56/461889656.db2.gz BCEOEIBFMRRHKK-UHFFFAOYSA-N 2 2 349.478 3.263 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000647929670 461890779 /nfs/dbraw/zinc/89/07/79/461890779.db2.gz CDPPSHJDOPXHFR-MRXNPFEDSA-N 2 2 327.428 3.011 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000647929670 461890784 /nfs/dbraw/zinc/89/07/84/461890784.db2.gz CDPPSHJDOPXHFR-MRXNPFEDSA-N 2 2 327.428 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@@H]1[NH3+] ZINC000647936787 461894903 /nfs/dbraw/zinc/89/49/03/461894903.db2.gz LIKMKEGYFBNGKV-ZENOOKHLSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@@H]1[NH3+] ZINC000647936787 461894913 /nfs/dbraw/zinc/89/49/13/461894913.db2.gz LIKMKEGYFBNGKV-ZENOOKHLSA-N 2 2 332.423 3.304 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCCC1 ZINC000656788681 461897872 /nfs/dbraw/zinc/89/78/72/461897872.db2.gz AVINLSFESZOHFW-UHFFFAOYSA-N 2 2 349.219 3.412 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(COc3ccccc3)n1)C2 ZINC000650709173 461903928 /nfs/dbraw/zinc/90/39/28/461903928.db2.gz IGLMMBCQCZCZBW-KXBFYZLASA-N 2 2 343.496 3.283 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(COc3ccccc3)n1)C2 ZINC000650709173 461903934 /nfs/dbraw/zinc/90/39/34/461903934.db2.gz IGLMMBCQCZCZBW-KXBFYZLASA-N 2 2 343.496 3.283 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654991 461904731 /nfs/dbraw/zinc/90/47/31/461904731.db2.gz JXLQMSBCMFIGPQ-DNVCBOLYSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654991 461904738 /nfs/dbraw/zinc/90/47/38/461904738.db2.gz JXLQMSBCMFIGPQ-DNVCBOLYSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654991 461904746 /nfs/dbraw/zinc/90/47/46/461904746.db2.gz JXLQMSBCMFIGPQ-DNVCBOLYSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654991 461904755 /nfs/dbraw/zinc/90/47/55/461904755.db2.gz JXLQMSBCMFIGPQ-DNVCBOLYSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(O)c2Br)[C@H]1CC[NH3+] ZINC000650711936 461905547 /nfs/dbraw/zinc/90/55/47/461905547.db2.gz JTLWWSUMQXMWPW-AAEUAGOBSA-N 2 2 327.266 3.104 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)[C@H]1CC[NH3+] ZINC000650711936 461905555 /nfs/dbraw/zinc/90/55/55/461905555.db2.gz JTLWWSUMQXMWPW-AAEUAGOBSA-N 2 2 327.266 3.104 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655364 461906778 /nfs/dbraw/zinc/90/67/78/461906778.db2.gz MUDNBFRZRSVXEU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655364 461906785 /nfs/dbraw/zinc/90/67/85/461906785.db2.gz MUDNBFRZRSVXEU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655364 461906793 /nfs/dbraw/zinc/90/67/93/461906793.db2.gz MUDNBFRZRSVXEU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655364 461906798 /nfs/dbraw/zinc/90/67/98/461906798.db2.gz MUDNBFRZRSVXEU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000660657466 461908854 /nfs/dbraw/zinc/90/88/54/461908854.db2.gz XRMLTNSDQYCBAS-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000660657466 461908858 /nfs/dbraw/zinc/90/88/58/461908858.db2.gz XRMLTNSDQYCBAS-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000660657466 461908862 /nfs/dbraw/zinc/90/88/62/461908862.db2.gz XRMLTNSDQYCBAS-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000660657466 461908868 /nfs/dbraw/zinc/90/88/68/461908868.db2.gz XRMLTNSDQYCBAS-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)C1 ZINC000650717853 461910147 /nfs/dbraw/zinc/91/01/47/461910147.db2.gz OOZYLVYCHUVKNZ-DNVCBOLYSA-N 3 2 333.495 3.417 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724692 461916266 /nfs/dbraw/zinc/91/62/66/461916266.db2.gz KPWWMKHIGOICCP-GRYCIOLGSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724692 461916272 /nfs/dbraw/zinc/91/62/72/461916272.db2.gz KPWWMKHIGOICCP-GRYCIOLGSA-N 2 2 349.422 3.023 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000660693696 461927127 /nfs/dbraw/zinc/92/71/27/461927127.db2.gz KFNPAWYPUMYAGJ-UHFFFAOYSA-N 2 2 334.504 3.046 20 0 EGADLP Cc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)c(C)[nH+]1 ZINC000664078117 461934702 /nfs/dbraw/zinc/93/47/02/461934702.db2.gz NPOAQRJVECAHDA-CHWSQXEVSA-N 2 2 339.281 3.285 20 0 EGADLP Cc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(Br)c(C)[nH+]1 ZINC000664078117 461934711 /nfs/dbraw/zinc/93/47/11/461934711.db2.gz NPOAQRJVECAHDA-CHWSQXEVSA-N 2 2 339.281 3.285 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000648013935 461943134 /nfs/dbraw/zinc/94/31/34/461943134.db2.gz WLLKWVFVQVMSGG-PBHICJAKSA-N 2 2 339.443 3.268 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000648013935 461943141 /nfs/dbraw/zinc/94/31/41/461943141.db2.gz WLLKWVFVQVMSGG-PBHICJAKSA-N 2 2 339.443 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)c1 ZINC000639476150 461945550 /nfs/dbraw/zinc/94/55/50/461945550.db2.gz AQFQXTDVORQBFL-QGZVFWFLSA-N 2 2 338.411 3.384 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)co2)c1 ZINC000639476150 461945554 /nfs/dbraw/zinc/94/55/54/461945554.db2.gz AQFQXTDVORQBFL-QGZVFWFLSA-N 2 2 338.411 3.384 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(C3CCCC3)s1)CCO2 ZINC000648071501 461968311 /nfs/dbraw/zinc/96/83/11/461968311.db2.gz FWDIQMYCGYTSND-UHFFFAOYSA-N 2 2 335.517 3.097 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(C3CCCC3)s1)CCO2 ZINC000648071501 461968316 /nfs/dbraw/zinc/96/83/16/461968316.db2.gz FWDIQMYCGYTSND-UHFFFAOYSA-N 2 2 335.517 3.097 20 0 EGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000644537210 461975162 /nfs/dbraw/zinc/97/51/62/461975162.db2.gz SXNROWBBROTHOY-UXPWSPDFSA-N 2 2 332.463 3.367 20 0 EGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000644537210 461975167 /nfs/dbraw/zinc/97/51/67/461975167.db2.gz SXNROWBBROTHOY-UXPWSPDFSA-N 2 2 332.463 3.367 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657388176 462091411 /nfs/dbraw/zinc/09/14/11/462091411.db2.gz HCLFYYGGVFMULQ-PXNSSMCTSA-N 2 2 338.499 3.436 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657388176 462091416 /nfs/dbraw/zinc/09/14/16/462091416.db2.gz HCLFYYGGVFMULQ-PXNSSMCTSA-N 2 2 338.499 3.436 20 0 EGADLP Cc1cc(C[NH+]2CCSCC2)ccc1NCc1c[nH+]c2n1CCC2 ZINC000657406778 462102042 /nfs/dbraw/zinc/10/20/42/462102042.db2.gz DKGMHFDDMSNFBY-UHFFFAOYSA-N 2 2 342.512 3.299 20 0 EGADLP CCCn1nccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000657412141 462106212 /nfs/dbraw/zinc/10/62/12/462106212.db2.gz BVTVVNLOVXIHFC-INIZCTEOSA-N 2 2 327.476 3.003 20 0 EGADLP CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657413276 462108156 /nfs/dbraw/zinc/10/81/56/462108156.db2.gz OEWREZWAZHICIG-QGZVFWFLSA-N 2 2 334.851 3.215 20 0 EGADLP CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657413273 462108216 /nfs/dbraw/zinc/10/82/16/462108216.db2.gz OEWREZWAZHICIG-KRWDZBQOSA-N 2 2 334.851 3.215 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC000657431405 462117482 /nfs/dbraw/zinc/11/74/82/462117482.db2.gz GRQNBZXPUSLABV-HSALFYBXSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC000657431405 462117487 /nfs/dbraw/zinc/11/74/87/462117487.db2.gz GRQNBZXPUSLABV-HSALFYBXSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC000657431405 462117491 /nfs/dbraw/zinc/11/74/91/462117491.db2.gz GRQNBZXPUSLABV-HSALFYBXSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC000657431405 462117498 /nfs/dbraw/zinc/11/74/98/462117498.db2.gz GRQNBZXPUSLABV-HSALFYBXSA-N 2 2 338.499 3.417 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450319 462123850 /nfs/dbraw/zinc/12/38/50/462123850.db2.gz AQTPFGNZKDYMCR-ZWKOTPCHSA-N 2 2 338.536 3.347 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450319 462123860 /nfs/dbraw/zinc/12/38/60/462123860.db2.gz AQTPFGNZKDYMCR-ZWKOTPCHSA-N 2 2 338.536 3.347 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCO1 ZINC000648457106 462128411 /nfs/dbraw/zinc/12/84/11/462128411.db2.gz MLANWEOEKDAQHN-MISYRCLQSA-N 2 2 346.515 3.434 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000667593020 462164284 /nfs/dbraw/zinc/16/42/84/462164284.db2.gz NLGHVGCYAKVTGO-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000667593020 462164290 /nfs/dbraw/zinc/16/42/90/462164290.db2.gz NLGHVGCYAKVTGO-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667700326 462220941 /nfs/dbraw/zinc/22/09/41/462220941.db2.gz YOLYWEUXXXYIEF-ABSDTBQOSA-N 2 2 343.471 3.380 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000667700326 462220946 /nfs/dbraw/zinc/22/09/46/462220946.db2.gz YOLYWEUXXXYIEF-ABSDTBQOSA-N 2 2 343.471 3.380 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000667705289 462224149 /nfs/dbraw/zinc/22/41/49/462224149.db2.gz AJRPWEFELVAWEB-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000667705289 462224133 /nfs/dbraw/zinc/22/41/33/462224133.db2.gz AJRPWEFELVAWEB-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000667705289 462224140 /nfs/dbraw/zinc/22/41/40/462224140.db2.gz AJRPWEFELVAWEB-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000667705289 462224145 /nfs/dbraw/zinc/22/41/45/462224145.db2.gz AJRPWEFELVAWEB-CZUORRHYSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640099032 462257429 /nfs/dbraw/zinc/25/74/29/462257429.db2.gz HCOZTVKOMMTARY-AABGKKOBSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640099032 462257432 /nfs/dbraw/zinc/25/74/32/462257432.db2.gz HCOZTVKOMMTARY-AABGKKOBSA-N 2 2 325.456 3.306 20 0 EGADLP COc1cc(OC)c(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1F ZINC000651691079 462304474 /nfs/dbraw/zinc/30/44/74/462304474.db2.gz ATFNEMQDXIHBPV-UHFFFAOYSA-N 2 2 343.402 3.442 20 0 EGADLP COc1cc(OC)c(C[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000651699671 462307846 /nfs/dbraw/zinc/30/78/46/462307846.db2.gz DCXBMGUMKGRQSY-UHFFFAOYSA-N 2 2 333.407 3.220 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c2ccccn21 ZINC000651716430 462313550 /nfs/dbraw/zinc/31/35/50/462313550.db2.gz XQPHOLXVFLAQAS-SFHVURJKSA-N 2 2 342.487 3.194 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000651786461 462334907 /nfs/dbraw/zinc/33/49/07/462334907.db2.gz ZJLLOXYKKBJPOV-IBGZPJMESA-N 2 2 326.488 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000651786461 462334912 /nfs/dbraw/zinc/33/49/12/462334912.db2.gz ZJLLOXYKKBJPOV-IBGZPJMESA-N 2 2 326.488 3.405 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934490 462335279 /nfs/dbraw/zinc/33/52/79/462335279.db2.gz JDIZEWPEQSJNAH-PKOBYXMFSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934490 462335282 /nfs/dbraw/zinc/33/52/82/462335282.db2.gz JDIZEWPEQSJNAH-PKOBYXMFSA-N 2 2 337.552 3.076 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000665252953 462370640 /nfs/dbraw/zinc/37/06/40/462370640.db2.gz BBTNEGJDAAWEPU-VVFCZOMOSA-N 2 2 331.410 3.465 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000658090341 462377953 /nfs/dbraw/zinc/37/79/53/462377953.db2.gz GJQKTIZYWOHYNP-DOTOQJQBSA-N 2 2 331.504 3.483 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000658090341 462377961 /nfs/dbraw/zinc/37/79/61/462377961.db2.gz GJQKTIZYWOHYNP-DOTOQJQBSA-N 2 2 331.504 3.483 20 0 EGADLP CN(C(=O)CCC1CCCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654774090 462378627 /nfs/dbraw/zinc/37/86/27/462378627.db2.gz VHNRNJYEGLSHNV-HXUWFJFHSA-N 2 2 349.563 3.364 20 0 EGADLP CN(C(=O)CCC1CCCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654774090 462378632 /nfs/dbraw/zinc/37/86/32/462378632.db2.gz VHNRNJYEGLSHNV-HXUWFJFHSA-N 2 2 349.563 3.364 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661736223 462389509 /nfs/dbraw/zinc/38/95/09/462389509.db2.gz NHUQWJLPMCYXIA-GOSISDBHSA-N 2 2 331.435 3.344 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661736223 462389512 /nfs/dbraw/zinc/38/95/12/462389512.db2.gz NHUQWJLPMCYXIA-GOSISDBHSA-N 2 2 331.435 3.344 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230336 462436979 /nfs/dbraw/zinc/43/69/79/462436979.db2.gz YHPLNSWNHNZMRT-ZWKOTPCHSA-N 2 2 343.515 3.425 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230336 462436980 /nfs/dbraw/zinc/43/69/80/462436980.db2.gz YHPLNSWNHNZMRT-ZWKOTPCHSA-N 2 2 343.515 3.425 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134286 462444858 /nfs/dbraw/zinc/44/48/58/462444858.db2.gz ORDVIGMXYBPRIE-CVEARBPZSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134286 462444862 /nfs/dbraw/zinc/44/48/62/462444862.db2.gz ORDVIGMXYBPRIE-CVEARBPZSA-N 2 2 336.476 3.237 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288650 462457454 /nfs/dbraw/zinc/45/74/54/462457454.db2.gz XCCGPVZQEIBORH-SJLPKXTDSA-N 2 2 342.487 3.134 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288650 462457460 /nfs/dbraw/zinc/45/74/60/462457460.db2.gz XCCGPVZQEIBORH-SJLPKXTDSA-N 2 2 342.487 3.134 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649334253 462480302 /nfs/dbraw/zinc/48/03/02/462480302.db2.gz XRXQQILLUWRPHD-OAHLLOKOSA-N 2 2 333.338 3.057 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccnc1Cl ZINC000178231946 533812784 /nfs/dbraw/zinc/81/27/84/533812784.db2.gz AGRQPSGPIYSVHF-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942085 527850611 /nfs/dbraw/zinc/85/06/11/527850611.db2.gz LMYRANRSJDROAS-DLBZAZTESA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942085 527850618 /nfs/dbraw/zinc/85/06/18/527850618.db2.gz LMYRANRSJDROAS-DLBZAZTESA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942085 527850625 /nfs/dbraw/zinc/85/06/25/527850625.db2.gz LMYRANRSJDROAS-DLBZAZTESA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942085 527850629 /nfs/dbraw/zinc/85/06/29/527850629.db2.gz LMYRANRSJDROAS-DLBZAZTESA-N 2 2 347.503 3.076 20 0 EGADLP CCN(CC)C(=O)[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000353012120 535463172 /nfs/dbraw/zinc/46/31/72/535463172.db2.gz NQKNUNULAUFDTL-IBGZPJMESA-N 2 2 345.531 3.308 20 0 EGADLP COC(=O)[C@@]12C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]1CCCC2 ZINC000342829067 536587429 /nfs/dbraw/zinc/58/74/29/536587429.db2.gz ZPBPUEGHZAYYCJ-KDOFPFPSSA-N 2 2 345.468 3.099 20 0 EGADLP COC(=O)[C@@]12C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]1CCCC2 ZINC000342829067 536587436 /nfs/dbraw/zinc/58/74/36/536587436.db2.gz ZPBPUEGHZAYYCJ-KDOFPFPSSA-N 2 2 345.468 3.099 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)cc1O ZINC000344565394 536898849 /nfs/dbraw/zinc/89/88/49/536898849.db2.gz PJZTYPKHXXKMNL-QFBILLFUSA-N 2 2 340.467 3.401 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)cc1O ZINC000344565394 536898850 /nfs/dbraw/zinc/89/88/50/536898850.db2.gz PJZTYPKHXXKMNL-QFBILLFUSA-N 2 2 340.467 3.401 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091927735 546668089 /nfs/dbraw/zinc/66/80/89/546668089.db2.gz LZHSKNUSIWCHDP-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091927735 546668095 /nfs/dbraw/zinc/66/80/95/546668095.db2.gz LZHSKNUSIWCHDP-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091927735 546668101 /nfs/dbraw/zinc/66/81/01/546668101.db2.gz LZHSKNUSIWCHDP-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091927735 546668105 /nfs/dbraw/zinc/66/81/05/546668105.db2.gz LZHSKNUSIWCHDP-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126766436 546761772 /nfs/dbraw/zinc/76/17/72/546761772.db2.gz IBXNCHFEANJJGI-QGZVFWFLSA-N 3 2 335.561 3.424 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126766436 546761776 /nfs/dbraw/zinc/76/17/76/546761776.db2.gz IBXNCHFEANJJGI-QGZVFWFLSA-N 3 2 335.561 3.424 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153326775 546878598 /nfs/dbraw/zinc/87/85/98/546878598.db2.gz WEDWOERAHQQXKL-CZUORRHYSA-N 2 2 340.920 3.435 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158890286 546931035 /nfs/dbraw/zinc/93/10/35/546931035.db2.gz ACSKEJCYTIDUPS-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158890286 546931040 /nfs/dbraw/zinc/93/10/40/546931040.db2.gz ACSKEJCYTIDUPS-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158890286 546931044 /nfs/dbraw/zinc/93/10/44/546931044.db2.gz ACSKEJCYTIDUPS-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158890286 546931049 /nfs/dbraw/zinc/93/10/49/546931049.db2.gz ACSKEJCYTIDUPS-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000163650943 546973068 /nfs/dbraw/zinc/97/30/68/546973068.db2.gz HKUROEUIQHJHAE-QGZVFWFLSA-N 2 2 338.879 3.254 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2F)[C@H](C)C1 ZINC000192684578 547202482 /nfs/dbraw/zinc/20/24/82/547202482.db2.gz DBZCUVFUOSGFAR-WBVHZDCISA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2F)[C@H](C)C1 ZINC000192684578 547202491 /nfs/dbraw/zinc/20/24/91/547202491.db2.gz DBZCUVFUOSGFAR-WBVHZDCISA-N 2 2 338.467 3.061 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c[nH+]c1N1CCCC[C@H]1C ZINC000333169553 547530134 /nfs/dbraw/zinc/53/01/34/547530134.db2.gz PMTUQZTVOFPSBC-HLLBOEOZSA-N 2 2 345.491 3.031 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccnn1-c1ccccc1 ZINC000342735010 547596823 /nfs/dbraw/zinc/59/68/23/547596823.db2.gz KXANEIIZWPCDRD-INIZCTEOSA-N 2 2 331.423 3.413 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(F)cc43)[nH+]c2)C1 ZINC000346982559 547622944 /nfs/dbraw/zinc/62/29/44/547622944.db2.gz YXVMXLIHXPEKQE-IEBWSBKVSA-N 2 2 340.446 3.460 20 0 EGADLP O[C@]1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361889845 547766645 /nfs/dbraw/zinc/76/66/45/547766645.db2.gz BXMKXLVPLGKIGJ-SFTDATJTSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@]1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361889845 547766651 /nfs/dbraw/zinc/76/66/51/547766651.db2.gz BXMKXLVPLGKIGJ-SFTDATJTSA-N 2 2 340.442 3.040 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2c(Cl)cccc2Cl)n1C ZINC000414309035 547856189 /nfs/dbraw/zinc/85/61/89/547856189.db2.gz GNTHQINKGXSYOM-UHFFFAOYSA-N 2 2 327.259 3.125 20 0 EGADLP COCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240086 548266530 /nfs/dbraw/zinc/26/65/30/548266530.db2.gz HWDDRBYJFNPFLY-NRFANRHFSA-N 2 2 346.515 3.169 20 0 EGADLP COCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240086 548266533 /nfs/dbraw/zinc/26/65/33/548266533.db2.gz HWDDRBYJFNPFLY-NRFANRHFSA-N 2 2 346.515 3.169 20 0 EGADLP COCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240086 548266537 /nfs/dbraw/zinc/26/65/37/548266537.db2.gz HWDDRBYJFNPFLY-NRFANRHFSA-N 2 2 346.515 3.169 20 0 EGADLP COCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240086 548266539 /nfs/dbraw/zinc/26/65/39/548266539.db2.gz HWDDRBYJFNPFLY-NRFANRHFSA-N 2 2 346.515 3.169 20 0 EGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000671312277 548277770 /nfs/dbraw/zinc/27/77/70/548277770.db2.gz NKQKQUSNKRKESW-XLIONFOSSA-N 2 2 340.467 3.454 20 0 EGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccsc1 ZINC000671676487 548331287 /nfs/dbraw/zinc/33/12/87/548331287.db2.gz FHAONSFJKYFSAQ-UHFFFAOYSA-N 2 2 329.513 3.392 20 0 EGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccsc1 ZINC000671676487 548331294 /nfs/dbraw/zinc/33/12/94/548331294.db2.gz FHAONSFJKYFSAQ-UHFFFAOYSA-N 2 2 329.513 3.392 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000671742484 548349920 /nfs/dbraw/zinc/34/99/20/548349920.db2.gz XYSVYUBAGOVWSE-AZUAARDMSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000671742484 548349921 /nfs/dbraw/zinc/34/99/21/548349921.db2.gz XYSVYUBAGOVWSE-AZUAARDMSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000674243872 548710761 /nfs/dbraw/zinc/71/07/61/548710761.db2.gz YALVBAKZLIXHCI-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP CC(C)C1CCC([NH+]2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC000674670169 548780073 /nfs/dbraw/zinc/78/00/73/548780073.db2.gz VPTQCAAJHXSCTG-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000675248145 548879649 /nfs/dbraw/zinc/87/96/49/548879649.db2.gz YQBBZAQNKSITAJ-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000675248145 548879652 /nfs/dbraw/zinc/87/96/52/548879652.db2.gz YQBBZAQNKSITAJ-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000675809528 548986484 /nfs/dbraw/zinc/98/64/84/548986484.db2.gz JRDCRYKXZIRUNV-KBMXLJTQSA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(C)cs2)[C@H](C)C1 ZINC000675809528 548986488 /nfs/dbraw/zinc/98/64/88/548986488.db2.gz JRDCRYKXZIRUNV-KBMXLJTQSA-N 2 2 325.522 3.239 20 0 EGADLP CC(C)c1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000677743675 549325571 /nfs/dbraw/zinc/32/55/71/549325571.db2.gz WXMWKOLDCQFSOH-QGZVFWFLSA-N 2 2 346.519 3.415 20 0 EGADLP CC(C)c1cc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000677743675 549325576 /nfs/dbraw/zinc/32/55/76/549325576.db2.gz WXMWKOLDCQFSOH-QGZVFWFLSA-N 2 2 346.519 3.415 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000678080870 549393109 /nfs/dbraw/zinc/39/31/09/549393109.db2.gz PCRPILFAXOXSRN-BEFAXECRSA-N 2 2 339.418 3.291 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000678080870 549393113 /nfs/dbraw/zinc/39/31/13/549393113.db2.gz PCRPILFAXOXSRN-BEFAXECRSA-N 2 2 339.418 3.291 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235250 549435619 /nfs/dbraw/zinc/43/56/19/549435619.db2.gz PWYVWKDNJKMLME-KRWDZBQOSA-N 2 2 325.391 3.249 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235250 549435623 /nfs/dbraw/zinc/43/56/23/549435623.db2.gz PWYVWKDNJKMLME-KRWDZBQOSA-N 2 2 325.391 3.249 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584339 549524014 /nfs/dbraw/zinc/52/40/14/549524014.db2.gz RZNHLTFJYJWMJC-SUMWQHHRSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584339 549524017 /nfs/dbraw/zinc/52/40/17/549524017.db2.gz RZNHLTFJYJWMJC-SUMWQHHRSA-N 2 2 337.305 3.454 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000678586640 549525283 /nfs/dbraw/zinc/52/52/83/549525283.db2.gz IXDYPKDVHIRSKP-UKRRQHHQSA-N 2 2 344.484 3.130 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)ncn1 ZINC000678604824 549529113 /nfs/dbraw/zinc/52/91/13/549529113.db2.gz LEUXKUVIOSBBGY-UHFFFAOYSA-N 2 2 330.863 3.193 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H](C(F)(F)F)C[NH+](CCCn2cc[nH+]c2)C1 ZINC000678883792 549587770 /nfs/dbraw/zinc/58/77/70/549587770.db2.gz ULSQHBYQFVZMOH-GHMZBOCLSA-N 2 2 329.288 3.336 20 0 EGADLP Cc1nc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000678939409 549599641 /nfs/dbraw/zinc/59/96/41/549599641.db2.gz STMXMVYQGUNBRC-LRDDRELGSA-N 2 2 345.516 3.468 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678992118 549612573 /nfs/dbraw/zinc/61/25/73/549612573.db2.gz BWCJAYOKTUCCNV-WMLDXEAASA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678992118 549612576 /nfs/dbraw/zinc/61/25/76/549612576.db2.gz BWCJAYOKTUCCNV-WMLDXEAASA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678992118 549612581 /nfs/dbraw/zinc/61/25/81/549612581.db2.gz BWCJAYOKTUCCNV-WMLDXEAASA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678992118 549612583 /nfs/dbraw/zinc/61/25/83/549612583.db2.gz BWCJAYOKTUCCNV-WMLDXEAASA-N 2 2 331.529 3.471 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679435194 549710451 /nfs/dbraw/zinc/71/04/51/549710451.db2.gz BPGWAARMWHFNMB-UHFFFAOYSA-N 2 2 339.439 3.005 20 0 EGADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679770326 549774153 /nfs/dbraw/zinc/77/41/53/549774153.db2.gz MOZFPSYGDXOTMC-MJGOQNOKSA-N 2 2 348.462 3.272 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)s1 ZINC000679771086 549775229 /nfs/dbraw/zinc/77/52/29/549775229.db2.gz GFEDWLTXXGQPBX-UGSOOPFHSA-N 2 2 345.512 3.177 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)s1 ZINC000679771086 549775231 /nfs/dbraw/zinc/77/52/31/549775231.db2.gz GFEDWLTXXGQPBX-UGSOOPFHSA-N 2 2 345.512 3.177 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c12 ZINC000682135261 550076506 /nfs/dbraw/zinc/07/65/06/550076506.db2.gz RFTVNPYLQJANOD-GOSISDBHSA-N 2 2 349.413 3.427 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000684111815 550292434 /nfs/dbraw/zinc/29/24/34/550292434.db2.gz FMSAVODEZRMQCD-WMZOPIPTSA-N 2 2 335.455 3.422 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000684358312 550318666 /nfs/dbraw/zinc/31/86/66/550318666.db2.gz KNDSPZHNDVRJQR-QGZVFWFLSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000684358312 550318668 /nfs/dbraw/zinc/31/86/68/550318668.db2.gz KNDSPZHNDVRJQR-QGZVFWFLSA-N 2 2 325.391 3.045 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000684836589 550374934 /nfs/dbraw/zinc/37/49/34/550374934.db2.gz OTZGAIOGKMXFND-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000684836589 550374936 /nfs/dbraw/zinc/37/49/36/550374936.db2.gz OTZGAIOGKMXFND-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP COCc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000685906081 550453296 /nfs/dbraw/zinc/45/32/96/550453296.db2.gz NYARUZFKSSDSQA-HNNXBMFYSA-N 2 2 331.435 3.487 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CCCC[NH+]1CCCC1 ZINC000729316211 574837644 /nfs/dbraw/zinc/83/76/44/574837644.db2.gz NAGFXQNPDXPZOQ-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000731039935 575046081 /nfs/dbraw/zinc/04/60/81/575046081.db2.gz FJKUMRGKVRYMRZ-UNMCSNQZSA-N 2 2 336.479 3.091 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000731039935 575046083 /nfs/dbraw/zinc/04/60/83/575046083.db2.gz FJKUMRGKVRYMRZ-UNMCSNQZSA-N 2 2 336.479 3.091 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000731031927 575047373 /nfs/dbraw/zinc/04/73/73/575047373.db2.gz OBFOAZWOKJNYQX-MRXNPFEDSA-N 2 2 330.394 3.201 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000731483965 575076256 /nfs/dbraw/zinc/07/62/56/575076256.db2.gz WSLCBKQEEMICOV-DLBZAZTESA-N 2 2 348.491 3.167 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000731483965 575076257 /nfs/dbraw/zinc/07/62/57/575076257.db2.gz WSLCBKQEEMICOV-DLBZAZTESA-N 2 2 348.491 3.167 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000731867724 575216243 /nfs/dbraw/zinc/21/62/43/575216243.db2.gz RJYHFYWMNJUDCC-LJQANCHMSA-N 2 2 342.487 3.138 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000731867724 575216244 /nfs/dbraw/zinc/21/62/44/575216244.db2.gz RJYHFYWMNJUDCC-LJQANCHMSA-N 2 2 342.487 3.138 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000733333350 575329090 /nfs/dbraw/zinc/32/90/90/575329090.db2.gz DUXSITDLYAEHPV-HNNXBMFYSA-N 2 2 340.496 3.446 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000733333350 575329092 /nfs/dbraw/zinc/32/90/92/575329092.db2.gz DUXSITDLYAEHPV-HNNXBMFYSA-N 2 2 340.496 3.446 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@H](C)c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000182250794 575343259 /nfs/dbraw/zinc/34/32/59/575343259.db2.gz WBWZJXDTDKNDHJ-CRAIPNDOSA-N 2 2 330.476 3.162 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000738066745 576284526 /nfs/dbraw/zinc/28/45/26/576284526.db2.gz CXYIEVJCQQPVOJ-UHFFFAOYSA-N 2 2 347.528 3.464 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000738066745 576284528 /nfs/dbraw/zinc/28/45/28/576284528.db2.gz CXYIEVJCQQPVOJ-UHFFFAOYSA-N 2 2 347.528 3.464 20 0 EGADLP S=c1n(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc(C2CC2)n1C1CC1 ZINC000738158988 576294738 /nfs/dbraw/zinc/29/47/38/576294738.db2.gz PLICAVLNKWZTQT-OAHLLOKOSA-N 2 2 344.488 3.117 20 0 EGADLP S=c1n(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc(C2CC2)n1C1CC1 ZINC000738158988 576294741 /nfs/dbraw/zinc/29/47/41/576294741.db2.gz PLICAVLNKWZTQT-OAHLLOKOSA-N 2 2 344.488 3.117 20 0 EGADLP c1csc(-c2ccn(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000742169525 576754865 /nfs/dbraw/zinc/75/48/65/576754865.db2.gz SCJDJKKNKHZZPI-INIZCTEOSA-N 2 2 330.501 3.377 20 0 EGADLP c1csc(-c2ccn(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000742169525 576754867 /nfs/dbraw/zinc/75/48/67/576754867.db2.gz SCJDJKKNKHZZPI-INIZCTEOSA-N 2 2 330.501 3.377 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cn4ccccc4n3)CC2)cc1 ZINC000742378599 576776165 /nfs/dbraw/zinc/77/61/65/576776165.db2.gz VTIYFUWKZMOBNQ-UHFFFAOYSA-N 2 2 349.482 3.159 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cc2)cn1 ZINC000030901940 1291357413 /nfs/dbraw/zinc/35/74/13/1291357413.db2.gz ZGZKIGHLEFJOJG-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP O[C@@H](C[NH2+]Cc1cccc(Oc2ccccc2)c1)C[NH+]1CCCC1 ZINC000060270303 1291920195 /nfs/dbraw/zinc/92/01/95/1291920195.db2.gz FQUCKGRTNNFQED-SFHVURJKSA-N 2 2 326.440 3.025 20 0 EGADLP CN(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000072670972 1292285587 /nfs/dbraw/zinc/28/55/87/1292285587.db2.gz PRJQARYEHZAUPA-NRFANRHFSA-N 2 2 334.467 3.135 20 0 EGADLP CCc1cccc(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003481 1292783445 /nfs/dbraw/zinc/78/34/45/1292783445.db2.gz QHXGXGCIWCNYRB-GOSISDBHSA-N 2 2 327.472 3.316 20 0 EGADLP CCc1cccc(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003481 1292783457 /nfs/dbraw/zinc/78/34/57/1292783457.db2.gz QHXGXGCIWCNYRB-GOSISDBHSA-N 2 2 327.472 3.316 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108428896 1293081573 /nfs/dbraw/zinc/08/15/73/1293081573.db2.gz RXWYAEBHYDWCTQ-HNNXBMFYSA-N 2 2 332.879 3.266 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428896 1293081580 /nfs/dbraw/zinc/08/15/80/1293081580.db2.gz RXWYAEBHYDWCTQ-HNNXBMFYSA-N 2 2 332.879 3.266 20 0 EGADLP COCc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000128813569 1293605480 /nfs/dbraw/zinc/60/54/80/1293605480.db2.gz PWCZXBLIKIEHRJ-UHFFFAOYSA-N 2 2 343.471 3.251 20 0 EGADLP CCC[C@H](CCO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152490313 1293970804 /nfs/dbraw/zinc/97/08/04/1293970804.db2.gz JGGLKUMXCMEQDN-QGZVFWFLSA-N 2 2 333.520 3.110 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccsc3)CC2)cc1 ZINC000154526337 1294059804 /nfs/dbraw/zinc/05/98/04/1294059804.db2.gz FOLDHVBYPZYNMF-IBGZPJMESA-N 2 2 345.512 3.106 20 0 EGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(F)c3)cc2)CC1 ZINC000160407399 1294268114 /nfs/dbraw/zinc/26/81/14/1294268114.db2.gz GWLZBMQQJGXFAV-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC000161088902 1294284420 /nfs/dbraw/zinc/28/44/20/1294284420.db2.gz CWGSPYLTPRZWAI-WIYYLYMNSA-N 3 2 344.547 3.184 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000169272984 1294368431 /nfs/dbraw/zinc/36/84/31/1294368431.db2.gz CKVVWMAVKOKTBX-UHFFFAOYSA-N 2 2 340.515 3.299 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)[NH+](C)C ZINC000223941642 1296132643 /nfs/dbraw/zinc/13/26/43/1296132643.db2.gz YYHNFZVDCLJFMT-HUUCEWRRSA-N 2 2 327.513 3.094 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)C1 ZINC000246858117 1296374493 /nfs/dbraw/zinc/37/44/93/1296374493.db2.gz CJAWPYVOGDBSJK-UWJYYQICSA-N 3 2 344.547 3.041 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)C1 ZINC000246858117 1296374507 /nfs/dbraw/zinc/37/45/07/1296374507.db2.gz CJAWPYVOGDBSJK-UWJYYQICSA-N 3 2 344.547 3.041 20 0 EGADLP CC[N@H+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1 ZINC000871795103 1296536307 /nfs/dbraw/zinc/53/63/07/1296536307.db2.gz KHZJRRYVFHYJEK-NPYXIHBLSA-N 2 2 326.444 3.109 20 0 EGADLP CC[N@@H+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1 ZINC000871795103 1296536315 /nfs/dbraw/zinc/53/63/15/1296536315.db2.gz KHZJRRYVFHYJEK-NPYXIHBLSA-N 2 2 326.444 3.109 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000310303927 1297091350 /nfs/dbraw/zinc/09/13/50/1297091350.db2.gz UZYCJJAZAOGZLV-NRFANRHFSA-N 3 2 327.516 3.115 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000310303927 1297091366 /nfs/dbraw/zinc/09/13/66/1297091366.db2.gz UZYCJJAZAOGZLV-NRFANRHFSA-N 3 2 327.516 3.115 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)c1 ZINC000344445033 1297333205 /nfs/dbraw/zinc/33/32/05/1297333205.db2.gz IHJNQCGEORGOLT-DNVCBOLYSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)c1 ZINC000344445033 1297333218 /nfs/dbraw/zinc/33/32/18/1297333218.db2.gz IHJNQCGEORGOLT-DNVCBOLYSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000373108105 1297514601 /nfs/dbraw/zinc/51/46/01/1297514601.db2.gz ZZDFYBGFNLOQMB-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000373108105 1297514606 /nfs/dbraw/zinc/51/46/06/1297514606.db2.gz ZZDFYBGFNLOQMB-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1OC ZINC000393375624 1297666250 /nfs/dbraw/zinc/66/62/50/1297666250.db2.gz FZXNAGCVLRMVQT-UHFFFAOYSA-N 2 2 326.868 3.320 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396324952 1297685584 /nfs/dbraw/zinc/68/55/84/1297685584.db2.gz RYCHRURAHHWHCD-OWYJLGKBSA-N 2 2 333.398 3.123 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000874081947 1297781451 /nfs/dbraw/zinc/78/14/51/1297781451.db2.gz IPPRUEZDNCGXIK-UHFFFAOYSA-N 2 2 326.444 3.089 20 0 EGADLP Fc1ccccc1C1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420956703 1297788613 /nfs/dbraw/zinc/78/86/13/1297788613.db2.gz ZUWINUMUJNEORU-UHFFFAOYSA-N 2 2 340.442 3.437 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000692138651 1298141266 /nfs/dbraw/zinc/14/12/66/1298141266.db2.gz KLLPMHIFQPZUSC-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073079 1298174901 /nfs/dbraw/zinc/17/49/01/1298174901.db2.gz TXKAAMMGOPWZPO-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073079 1298174904 /nfs/dbraw/zinc/17/49/04/1298174904.db2.gz TXKAAMMGOPWZPO-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000746153223 1298545096 /nfs/dbraw/zinc/54/50/96/1298545096.db2.gz UZOOXQCRWIJMRC-UHFFFAOYSA-N 2 2 338.521 3.044 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746650532 1298630923 /nfs/dbraw/zinc/63/09/23/1298630923.db2.gz AIMIHSBVBRCIQB-OCCSQVGLSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746650532 1298630930 /nfs/dbraw/zinc/63/09/30/1298630930.db2.gz AIMIHSBVBRCIQB-OCCSQVGLSA-N 2 2 331.287 3.443 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000746674800 1298637744 /nfs/dbraw/zinc/63/77/44/1298637744.db2.gz JMFPRCMUXAZXSC-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000746674800 1298637757 /nfs/dbraw/zinc/63/77/57/1298637757.db2.gz JMFPRCMUXAZXSC-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Cl)cc1O ZINC000876948253 1299083864 /nfs/dbraw/zinc/08/38/64/1299083864.db2.gz JSGYTZZNRQMTDV-UHFFFAOYSA-N 2 2 326.868 3.407 20 0 EGADLP CC1(C)OCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000877338268 1299252965 /nfs/dbraw/zinc/25/29/65/1299252965.db2.gz AWFDNPGIGUMVQB-QFBILLFUSA-N 2 2 330.472 3.096 20 0 EGADLP CC1(C)OCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000877338268 1299252970 /nfs/dbraw/zinc/25/29/70/1299252970.db2.gz AWFDNPGIGUMVQB-QFBILLFUSA-N 2 2 330.472 3.096 20 0 EGADLP O[C@H](C[N@H+](Cc1cc(F)ccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000751777009 1299623219 /nfs/dbraw/zinc/62/32/19/1299623219.db2.gz QMUQOZYQEOMZPJ-SFHVURJKSA-N 2 2 338.442 3.166 20 0 EGADLP O[C@H](C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000751777009 1299623222 /nfs/dbraw/zinc/62/32/22/1299623222.db2.gz QMUQOZYQEOMZPJ-SFHVURJKSA-N 2 2 338.442 3.166 20 0 EGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000753858402 1300030559 /nfs/dbraw/zinc/03/05/59/1300030559.db2.gz KPNVRHOFSFDSJR-KBXCAEBGSA-N 2 2 336.426 3.185 20 0 EGADLP C[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000754500674 1300154658 /nfs/dbraw/zinc/15/46/58/1300154658.db2.gz QYNHGFKDRZUIED-OAGGEKHMSA-N 2 2 327.428 3.177 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1)Cn1cc[nH+]c1 ZINC000756107055 1300440340 /nfs/dbraw/zinc/44/03/40/1300440340.db2.gz OKLPQFPDWDPVNE-CQSZACIVSA-N 2 2 345.447 3.051 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@@H+]1C ZINC000756127077 1300443689 /nfs/dbraw/zinc/44/36/89/1300443689.db2.gz HETXMDNUAMILGW-HIFRSBDPSA-N 2 2 334.464 3.001 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@H+]1C ZINC000756127077 1300443694 /nfs/dbraw/zinc/44/36/94/1300443694.db2.gz HETXMDNUAMILGW-HIFRSBDPSA-N 2 2 334.464 3.001 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879597691 1300620797 /nfs/dbraw/zinc/62/07/97/1300620797.db2.gz QIRNASFUVGLPGJ-UHFFFAOYSA-N 2 2 334.414 3.072 20 0 EGADLP c1cn(C[C@H]([NH2+]CCc2ccc3c(c2)CCO3)c2ccccc2)c[nH+]1 ZINC000880571474 1301165357 /nfs/dbraw/zinc/16/53/57/1301165357.db2.gz QGQIZMQXKBWIKO-FQEVSTJZSA-N 2 2 333.435 3.392 20 0 EGADLP c1cn(C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)c2ccccc2)c[nH+]1 ZINC000880569123 1301165537 /nfs/dbraw/zinc/16/55/37/1301165537.db2.gz HULGTGLPWWYXKW-SFHVURJKSA-N 2 2 335.407 3.185 20 0 EGADLP Cc1[nH+]ccn1CCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000761652170 1301516820 /nfs/dbraw/zinc/51/68/20/1301516820.db2.gz FALUMWWCFFYCEO-UHFFFAOYSA-N 2 2 348.410 3.119 20 0 EGADLP COc1ccc([C@H]2C[NH2+]CCN2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000883451220 1302448153 /nfs/dbraw/zinc/44/81/53/1302448153.db2.gz JWADWOAYSVRMLW-OAQYLSRUSA-N 2 2 348.450 3.027 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCO2 ZINC000768511429 1302921080 /nfs/dbraw/zinc/92/10/80/1302921080.db2.gz IWCSBQULMZKOSX-WSTZPKSXSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCCO2 ZINC000768511429 1302921083 /nfs/dbraw/zinc/92/10/83/1302921083.db2.gz IWCSBQULMZKOSX-WSTZPKSXSA-N 2 2 344.499 3.477 20 0 EGADLP Cc1[nH]c(C2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)[nH+]c1C ZINC000884707499 1302959805 /nfs/dbraw/zinc/95/98/05/1302959805.db2.gz OFPIJFMDCWHJEL-UHFFFAOYSA-N 2 2 325.460 3.388 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCCCCC1 ZINC000769681480 1303157467 /nfs/dbraw/zinc/15/74/67/1303157467.db2.gz POWWQFNZTXTPKR-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccsc1 ZINC000770401913 1303262586 /nfs/dbraw/zinc/26/25/86/1303262586.db2.gz NHENLVZHYORQEF-INIZCTEOSA-N 2 2 342.468 3.209 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)n1 ZINC000772357473 1303523801 /nfs/dbraw/zinc/52/38/01/1303523801.db2.gz JVOSIWNCXWXIKR-GFCCVEGCSA-N 2 2 326.510 3.090 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)[nH+]c1C ZINC000886666276 1303546099 /nfs/dbraw/zinc/54/60/99/1303546099.db2.gz QBXOCGREUAGZPS-GOSISDBHSA-N 2 2 338.455 3.011 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccccc3C)CC2)[nH+]c1C ZINC000886667526 1303548170 /nfs/dbraw/zinc/54/81/70/1303548170.db2.gz CBZYOMNKBCHLQL-UHFFFAOYSA-N 2 2 326.444 3.153 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)[nH+]c1C ZINC000886671952 1303551294 /nfs/dbraw/zinc/55/12/94/1303551294.db2.gz GWRYKIADEXALOO-UHFFFAOYSA-N 2 2 345.418 3.412 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)[nH+]c1C ZINC000886672555 1303551403 /nfs/dbraw/zinc/55/14/03/1303551403.db2.gz QVLQEGLQJUVDRB-UHFFFAOYSA-N 2 2 327.388 3.049 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnc4ccccc4c3)[nH+]c2)C1 ZINC000772963327 1303598880 /nfs/dbraw/zinc/59/88/80/1303598880.db2.gz FEMYXPWQKOOKNU-LJQANCHMSA-N 2 2 347.466 3.382 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000773066025 1303617919 /nfs/dbraw/zinc/61/79/19/1303617919.db2.gz SHKUGYFQNQSBQK-IBGZPJMESA-N 2 2 339.487 3.112 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCCO1 ZINC000773101307 1303625298 /nfs/dbraw/zinc/62/52/98/1303625298.db2.gz BGTAKPAPNPGRSI-UXHICEINSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775377481 1303949647 /nfs/dbraw/zinc/94/96/47/1303949647.db2.gz CJMCXHVPUMFZGF-QROFKTNTSA-N 2 2 328.591 3.322 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775377481 1303949651 /nfs/dbraw/zinc/94/96/51/1303949651.db2.gz CJMCXHVPUMFZGF-QROFKTNTSA-N 2 2 328.591 3.322 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000775623278 1303996978 /nfs/dbraw/zinc/99/69/78/1303996978.db2.gz OVPDGUIMWNHVTH-NCOADZHNSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000775623278 1303996979 /nfs/dbraw/zinc/99/69/79/1303996979.db2.gz OVPDGUIMWNHVTH-NCOADZHNSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000775623279 1303997328 /nfs/dbraw/zinc/99/73/28/1303997328.db2.gz OVPDGUIMWNHVTH-QBPKDAKJSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000775623279 1303997335 /nfs/dbraw/zinc/99/73/35/1303997335.db2.gz OVPDGUIMWNHVTH-QBPKDAKJSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000779018126 1304518428 /nfs/dbraw/zinc/51/84/28/1304518428.db2.gz YRQSUXPBMLQLHU-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000779018126 1304518435 /nfs/dbraw/zinc/51/84/35/1304518435.db2.gz YRQSUXPBMLQLHU-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000779065760 1304525059 /nfs/dbraw/zinc/52/50/59/1304525059.db2.gz OWXSVQOGZPUOBH-KOLCDFICSA-N 2 2 325.243 3.438 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+][C@H](c2ccccc2)C2CCOCC2)CCSC1 ZINC000782770234 1305010595 /nfs/dbraw/zinc/01/05/95/1305010595.db2.gz XYDXIDOSFSMPPM-RTBURBONSA-N 2 2 334.529 3.181 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]CC(C)(C)C[NH+](C)C)n2)c1 ZINC000892448008 1305378862 /nfs/dbraw/zinc/37/88/62/1305378862.db2.gz ZMSMBOKWTNAPHH-UHFFFAOYSA-N 2 2 333.501 3.496 20 0 EGADLP COc1cccc(-c2csc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)n2)c1 ZINC000892567792 1305444285 /nfs/dbraw/zinc/44/42/85/1305444285.db2.gz VYWCYVAMFAKGFN-ZDUSSCGKSA-N 2 2 328.441 3.194 20 0 EGADLP Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000892759075 1305543065 /nfs/dbraw/zinc/54/30/65/1305543065.db2.gz TVLAKJJLNHNAHZ-UHFFFAOYSA-N 2 2 344.503 3.134 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788243776 1305905750 /nfs/dbraw/zinc/90/57/50/1305905750.db2.gz KIDMYZLINPSPCF-GJZGRUSLSA-N 2 2 327.513 3.142 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](O)c1ccccc1 ZINC000788620752 1305983920 /nfs/dbraw/zinc/98/39/20/1305983920.db2.gz JSNNTDQTZAMKTH-NHCUHLMSSA-N 2 2 339.483 3.398 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000791393852 1308980022 /nfs/dbraw/zinc/98/00/22/1308980022.db2.gz XIXSZDJXRQXXLJ-IBGZPJMESA-N 2 2 341.455 3.344 20 0 EGADLP c1cn(C[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c[nH+]1 ZINC000895707849 1309478907 /nfs/dbraw/zinc/47/89/07/1309478907.db2.gz WJXBSDGSXYLMAX-OAQYLSRUSA-N 3 2 347.466 3.278 20 0 EGADLP COc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000895793166 1309523422 /nfs/dbraw/zinc/52/34/22/1309523422.db2.gz RENSLFINCPTREO-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000895793166 1309523430 /nfs/dbraw/zinc/52/34/30/1309523430.db2.gz RENSLFINCPTREO-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000895793166 1309523435 /nfs/dbraw/zinc/52/34/35/1309523435.db2.gz RENSLFINCPTREO-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000895793166 1309523448 /nfs/dbraw/zinc/52/34/48/1309523448.db2.gz RENSLFINCPTREO-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000895821647 1309536069 /nfs/dbraw/zinc/53/60/69/1309536069.db2.gz GTEYZYKMOUKIOR-HXUWFJFHSA-N 2 2 344.499 3.305 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1C ZINC000896194511 1309739524 /nfs/dbraw/zinc/73/95/24/1309739524.db2.gz BIMUGSSBANGTPE-UHFFFAOYSA-N 2 2 327.476 3.381 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC4(CCCC4)C3)CC2)cc1 ZINC000795925831 1309863592 /nfs/dbraw/zinc/86/35/92/1309863592.db2.gz MGKNCBMAAYRICG-UHFFFAOYSA-N 2 2 327.516 3.465 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC4(CCCC4)C3)CC2)cc1 ZINC000795925831 1309863597 /nfs/dbraw/zinc/86/35/97/1309863597.db2.gz MGKNCBMAAYRICG-UHFFFAOYSA-N 2 2 327.516 3.465 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000796284624 1309952288 /nfs/dbraw/zinc/95/22/88/1309952288.db2.gz XWRGHYPTHNXZAH-OAHLLOKOSA-N 2 2 347.894 3.049 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000796284624 1309952293 /nfs/dbraw/zinc/95/22/93/1309952293.db2.gz XWRGHYPTHNXZAH-OAHLLOKOSA-N 2 2 347.894 3.049 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)s1 ZINC000796311731 1309964618 /nfs/dbraw/zinc/96/46/18/1309964618.db2.gz RTJBMKZVNOHLRP-KRWDZBQOSA-N 2 2 347.528 3.325 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000796716724 1310071125 /nfs/dbraw/zinc/07/11/25/1310071125.db2.gz MZIZUEFTCOMDIJ-AWEZNQCLSA-N 2 2 348.406 3.054 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]CC(=O)N2CCCCc3ccccc32)CC1 ZINC000896926402 1310086976 /nfs/dbraw/zinc/08/69/76/1310086976.db2.gz WHYRVPMVQIAWHA-UHFFFAOYSA-N 2 2 343.515 3.208 20 0 EGADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(SCC[NH3+])n1 ZINC000900022500 1317220489 /nfs/dbraw/zinc/22/04/89/1317220489.db2.gz UEXVBJVFCIFLQO-UHFFFAOYSA-N 2 2 344.509 3.471 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000957337172 1317292216 /nfs/dbraw/zinc/29/22/16/1317292216.db2.gz LVGHHTWUWWPNIC-SJORKVTESA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000957635966 1317509767 /nfs/dbraw/zinc/50/97/67/1317509767.db2.gz QFLUMKGCZFJUOT-UHFFFAOYSA-N 2 2 346.519 3.192 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000902481866 1317582787 /nfs/dbraw/zinc/58/27/87/1317582787.db2.gz HMEPHDJYNHTOOG-KBXCAEBGSA-N 2 2 330.476 3.153 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)c[nH+]1 ZINC001020285699 1317627070 /nfs/dbraw/zinc/62/70/70/1317627070.db2.gz CZXVYNUHEDRUHE-IYARVYRRSA-N 2 2 344.503 3.054 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001020296071 1317632494 /nfs/dbraw/zinc/63/24/94/1317632494.db2.gz CEKOCVVWOWCVRX-GPMSIDNRSA-N 2 2 346.434 3.101 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001020388741 1317675231 /nfs/dbraw/zinc/67/52/31/1317675231.db2.gz JHAMWCLQQVIPSE-QAQDUYKDSA-N 2 2 340.471 3.155 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)ccc1OC ZINC000903370948 1317691572 /nfs/dbraw/zinc/69/15/72/1317691572.db2.gz LXAXYOWZLAJYDX-WMZOPIPTSA-N 2 2 336.451 3.128 20 0 EGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797986 1317736975 /nfs/dbraw/zinc/73/69/75/1317736975.db2.gz LXZOMVFJQQCJFS-FPOVZHCZSA-N 2 2 337.467 3.364 20 0 EGADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797986 1317736979 /nfs/dbraw/zinc/73/69/79/1317736979.db2.gz LXZOMVFJQQCJFS-FPOVZHCZSA-N 2 2 337.467 3.364 20 0 EGADLP Cc1ccc(CC[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]2CCCO2)cc1 ZINC000903899912 1317744476 /nfs/dbraw/zinc/74/44/76/1317744476.db2.gz YNRJJNBZHYOXHY-DLBZAZTESA-N 2 2 326.431 3.001 20 0 EGADLP Cc1ccc(CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]2CCCO2)cc1 ZINC000903899912 1317744478 /nfs/dbraw/zinc/74/44/78/1317744478.db2.gz YNRJJNBZHYOXHY-DLBZAZTESA-N 2 2 326.431 3.001 20 0 EGADLP Cc1ccc(CC[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]2CCCO2)cc1 ZINC000903899913 1317744868 /nfs/dbraw/zinc/74/48/68/1317744868.db2.gz YNRJJNBZHYOXHY-IAGOWNOFSA-N 2 2 326.431 3.001 20 0 EGADLP Cc1ccc(CC[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]2CCCO2)cc1 ZINC000903899913 1317744875 /nfs/dbraw/zinc/74/48/75/1317744875.db2.gz YNRJJNBZHYOXHY-IAGOWNOFSA-N 2 2 326.431 3.001 20 0 EGADLP COc1cc(C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)c(SC)cc1OC ZINC000904324629 1317830035 /nfs/dbraw/zinc/83/00/35/1317830035.db2.gz ZIXPIXOLCNTIQC-GOSISDBHSA-N 2 2 338.517 3.247 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)c(SC)cc1OC ZINC000904324629 1317830045 /nfs/dbraw/zinc/83/00/45/1317830045.db2.gz ZIXPIXOLCNTIQC-GOSISDBHSA-N 2 2 338.517 3.247 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)C)c[nH+]1 ZINC001021295614 1318175494 /nfs/dbraw/zinc/17/54/94/1318175494.db2.gz CEURYHXXSXWSNF-AYHJJNSGSA-N 2 2 346.519 3.084 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)c[nH+]1 ZINC001021295614 1318175498 /nfs/dbraw/zinc/17/54/98/1318175498.db2.gz CEURYHXXSXWSNF-AYHJJNSGSA-N 2 2 346.519 3.084 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612805 1318459592 /nfs/dbraw/zinc/45/95/92/1318459592.db2.gz GJBLUMUSKIHQMU-KXBFYZLASA-N 2 2 340.471 3.290 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612805 1318459598 /nfs/dbraw/zinc/45/95/98/1318459598.db2.gz GJBLUMUSKIHQMU-KXBFYZLASA-N 2 2 340.471 3.290 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000813786246 1318632231 /nfs/dbraw/zinc/63/22/31/1318632231.db2.gz LVXGFIXGVGCIAP-OAHLLOKOSA-N 2 2 348.922 3.489 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC000960907635 1319052676 /nfs/dbraw/zinc/05/26/76/1319052676.db2.gz GMJVWQPBYQGLMC-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC000960907635 1319052683 /nfs/dbraw/zinc/05/26/83/1319052683.db2.gz GMJVWQPBYQGLMC-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926285 1319463789 /nfs/dbraw/zinc/46/37/89/1319463789.db2.gz DKERPPBYMGKOQK-UHIISALHSA-N 2 2 345.270 3.174 20 0 EGADLP CCCCn1c(SC[C@H]2CCC[N@@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000915471972 1319488389 /nfs/dbraw/zinc/48/83/89/1319488389.db2.gz PRWVBUIQAAMQMY-HUUCEWRRSA-N 2 2 339.553 3.277 20 0 EGADLP CCCCn1c(SC[C@H]2CCC[N@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000915471972 1319488394 /nfs/dbraw/zinc/48/83/94/1319488394.db2.gz PRWVBUIQAAMQMY-HUUCEWRRSA-N 2 2 339.553 3.277 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416199 1319571769 /nfs/dbraw/zinc/57/17/69/1319571769.db2.gz SFPIXLYSGJWBFB-PKOBYXMFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416199 1319571777 /nfs/dbraw/zinc/57/17/77/1319571777.db2.gz SFPIXLYSGJWBFB-PKOBYXMFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416196 1319572088 /nfs/dbraw/zinc/57/20/88/1319572088.db2.gz SFPIXLYSGJWBFB-HKUYNNGSSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416196 1319572091 /nfs/dbraw/zinc/57/20/91/1319572091.db2.gz SFPIXLYSGJWBFB-HKUYNNGSSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819183823 1319660365 /nfs/dbraw/zinc/66/03/65/1319660365.db2.gz SYQWUDPAUZZMOE-MGPUTAFESA-N 2 2 343.446 3.069 20 0 EGADLP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000823737081 1320202253 /nfs/dbraw/zinc/20/22/53/1320202253.db2.gz SDRJWMXSJSUFIB-INIZCTEOSA-N 2 2 331.410 3.362 20 0 EGADLP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000823737081 1320202256 /nfs/dbraw/zinc/20/22/56/1320202256.db2.gz SDRJWMXSJSUFIB-INIZCTEOSA-N 2 2 331.410 3.362 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2F)[C@H](C)C1 ZINC000823848506 1320211241 /nfs/dbraw/zinc/21/12/41/1320211241.db2.gz VWEIHVIVIPBGKB-UKRRQHHQSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2F)[C@H](C)C1 ZINC000823848506 1320211244 /nfs/dbraw/zinc/21/12/44/1320211244.db2.gz VWEIHVIVIPBGKB-UKRRQHHQSA-N 2 2 343.874 3.101 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000825175937 1320316939 /nfs/dbraw/zinc/31/69/39/1320316939.db2.gz XVBVAXNATRBHPC-UHFFFAOYSA-N 2 2 340.471 3.377 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000827519655 1320458400 /nfs/dbraw/zinc/45/84/00/1320458400.db2.gz QMUAPDFXIUQZBZ-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000827519655 1320458405 /nfs/dbraw/zinc/45/84/05/1320458405.db2.gz QMUAPDFXIUQZBZ-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC000838721292 1320807903 /nfs/dbraw/zinc/80/79/03/1320807903.db2.gz VDXINRWWWQTEAL-UHFFFAOYSA-N 2 2 340.471 3.102 20 0 EGADLP CCn1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000838909637 1320833687 /nfs/dbraw/zinc/83/36/87/1320833687.db2.gz YTYYRXNMJYQUBV-UHFFFAOYSA-N 2 2 341.503 3.352 20 0 EGADLP CCn1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000838909637 1320833693 /nfs/dbraw/zinc/83/36/93/1320833693.db2.gz YTYYRXNMJYQUBV-UHFFFAOYSA-N 2 2 341.503 3.352 20 0 EGADLP C[NH+](C)CCOc1ccc(NCc2cccc3[nH+]ccn32)cc1F ZINC000839190360 1320890659 /nfs/dbraw/zinc/89/06/59/1320890659.db2.gz LXPBCEPOZPJJHY-UHFFFAOYSA-N 2 2 328.391 3.026 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841039541 1321206796 /nfs/dbraw/zinc/20/67/96/1321206796.db2.gz SYSGJEPJOMMCRK-NRFANRHFSA-N 3 2 344.547 3.219 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000842838415 1321440273 /nfs/dbraw/zinc/44/02/73/1321440273.db2.gz NUBWSMGGILOYLK-FRQCXROJSA-N 2 2 332.513 3.239 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000842838415 1321440276 /nfs/dbraw/zinc/44/02/76/1321440276.db2.gz NUBWSMGGILOYLK-FRQCXROJSA-N 2 2 332.513 3.239 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843050902 1321461998 /nfs/dbraw/zinc/46/19/98/1321461998.db2.gz ARHPBKZFFTVLJO-YOEHRIQHSA-N 2 2 346.906 3.452 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843050902 1321462001 /nfs/dbraw/zinc/46/20/01/1321462001.db2.gz ARHPBKZFFTVLJO-YOEHRIQHSA-N 2 2 346.906 3.452 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000843353682 1321504875 /nfs/dbraw/zinc/50/48/75/1321504875.db2.gz MTGDXFYXAGWAQI-HRCADAONSA-N 2 2 331.504 3.370 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000843353682 1321504880 /nfs/dbraw/zinc/50/48/80/1321504880.db2.gz MTGDXFYXAGWAQI-HRCADAONSA-N 2 2 331.504 3.370 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843378067 1321509025 /nfs/dbraw/zinc/50/90/25/1321509025.db2.gz YVHPDHGFKWTACF-DAYGRLMNSA-N 2 2 331.504 3.370 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843378067 1321509029 /nfs/dbraw/zinc/50/90/29/1321509029.db2.gz YVHPDHGFKWTACF-DAYGRLMNSA-N 2 2 331.504 3.370 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2cc1C(C)C ZINC000843386566 1321509371 /nfs/dbraw/zinc/50/93/71/1321509371.db2.gz KDYKKCFIEKFKSD-KXBFYZLASA-N 2 2 340.467 3.409 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2cc1C(C)C ZINC000843386566 1321509375 /nfs/dbraw/zinc/50/93/75/1321509375.db2.gz KDYKKCFIEKFKSD-KXBFYZLASA-N 2 2 340.467 3.409 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329465 1321590317 /nfs/dbraw/zinc/59/03/17/1321590317.db2.gz OJXYBKKZELWURD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329465 1321590319 /nfs/dbraw/zinc/59/03/19/1321590319.db2.gz OJXYBKKZELWURD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329465 1321590321 /nfs/dbraw/zinc/59/03/21/1321590321.db2.gz OJXYBKKZELWURD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329465 1321590322 /nfs/dbraw/zinc/59/03/22/1321590322.db2.gz OJXYBKKZELWURD-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568461 1321977773 /nfs/dbraw/zinc/97/77/73/1321977773.db2.gz JGSHYKHBHDYLLO-ZYSHUDEJSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568461 1321977777 /nfs/dbraw/zinc/97/77/77/1321977777.db2.gz JGSHYKHBHDYLLO-ZYSHUDEJSA-N 2 2 343.471 3.311 20 0 EGADLP COc1cccc(NC(=[NH2+])NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000849054859 1322060945 /nfs/dbraw/zinc/06/09/45/1322060945.db2.gz FLIYDHQBQRYSBO-UHFFFAOYSA-N 2 2 335.411 3.076 20 0 EGADLP CC(C)CCNC(=[NH2+])NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000849078273 1322068649 /nfs/dbraw/zinc/06/86/49/1322068649.db2.gz ZFLMWQWPIUAVRC-SFHVURJKSA-N 2 2 334.508 3.237 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)Nc1cccc2ccccc21 ZINC000923538665 1322771037 /nfs/dbraw/zinc/77/10/37/1322771037.db2.gz KPBDSISJPKFJIR-OAQYLSRUSA-N 2 2 337.467 3.386 20 0 EGADLP O=C(CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)Nc1cccc2ccccc21 ZINC000923538665 1322771041 /nfs/dbraw/zinc/77/10/41/1322771041.db2.gz KPBDSISJPKFJIR-OAQYLSRUSA-N 2 2 337.467 3.386 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000924602074 1323070626 /nfs/dbraw/zinc/07/06/26/1323070626.db2.gz JOAGWLQUZBCWSV-MRXNPFEDSA-N 2 2 325.456 3.189 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000924602074 1323070632 /nfs/dbraw/zinc/07/06/32/1323070632.db2.gz JOAGWLQUZBCWSV-MRXNPFEDSA-N 2 2 325.456 3.189 20 0 EGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000851739533 1323077020 /nfs/dbraw/zinc/07/70/20/1323077020.db2.gz LKMTXALIRDVROT-MRXNPFEDSA-N 2 2 332.410 3.228 20 0 EGADLP CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000851739533 1323077023 /nfs/dbraw/zinc/07/70/23/1323077023.db2.gz LKMTXALIRDVROT-MRXNPFEDSA-N 2 2 332.410 3.228 20 0 EGADLP CC[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000851739533 1323077031 /nfs/dbraw/zinc/07/70/31/1323077031.db2.gz LKMTXALIRDVROT-MRXNPFEDSA-N 2 2 332.410 3.228 20 0 EGADLP CC[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851739533 1323077039 /nfs/dbraw/zinc/07/70/39/1323077039.db2.gz LKMTXALIRDVROT-MRXNPFEDSA-N 2 2 332.410 3.228 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000924624622 1323080344 /nfs/dbraw/zinc/08/03/44/1323080344.db2.gz MXWZCIBDDQUQFR-GHTZIAJQSA-N 2 2 349.482 3.166 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000924624623 1323080419 /nfs/dbraw/zinc/08/04/19/1323080419.db2.gz MXWZCIBDDQUQFR-NQIIRXRSSA-N 2 2 349.482 3.166 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000851932362 1323118089 /nfs/dbraw/zinc/11/80/89/1323118089.db2.gz FVRDSCLCPWWQLO-IGOJGBNBSA-N 2 2 327.447 3.467 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000851932362 1323118091 /nfs/dbraw/zinc/11/80/91/1323118091.db2.gz FVRDSCLCPWWQLO-IGOJGBNBSA-N 2 2 327.447 3.467 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924903138 1323205715 /nfs/dbraw/zinc/20/57/15/1323205715.db2.gz HCESDAZTSFJJQE-UHFFFAOYSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924903138 1323205721 /nfs/dbraw/zinc/20/57/21/1323205721.db2.gz HCESDAZTSFJJQE-UHFFFAOYSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024441065 1323404580 /nfs/dbraw/zinc/40/45/80/1323404580.db2.gz YGVNAFMZVGPLPJ-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024441065 1323404583 /nfs/dbraw/zinc/40/45/83/1323404583.db2.gz YGVNAFMZVGPLPJ-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CN(C)c1ncc(C[NH+]2CCC(C)([NH+](C)C)CC2)c2ccccc21 ZINC000931353223 1329100501 /nfs/dbraw/zinc/10/05/01/1329100501.db2.gz CEKUVERGWASPIK-UHFFFAOYSA-N 2 2 326.488 3.217 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025149880 1323923571 /nfs/dbraw/zinc/92/35/71/1323923571.db2.gz KQDBQCFWJDPYHA-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245859 1324044070 /nfs/dbraw/zinc/04/40/70/1324044070.db2.gz SFKSYWMKCFPSEU-MOPGFXCFSA-N 2 2 340.471 3.432 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245859 1324044075 /nfs/dbraw/zinc/04/40/75/1324044075.db2.gz SFKSYWMKCFPSEU-MOPGFXCFSA-N 2 2 340.471 3.432 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305214 1324139073 /nfs/dbraw/zinc/13/90/73/1324139073.db2.gz USMLWYRHGSIKDK-ROUUACIJSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305214 1324139076 /nfs/dbraw/zinc/13/90/76/1324139076.db2.gz USMLWYRHGSIKDK-ROUUACIJSA-N 2 2 346.519 3.165 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001025460209 1324304363 /nfs/dbraw/zinc/30/43/63/1324304363.db2.gz XUGFDIQVNPQBFG-PXHZSSHCSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001025460209 1324304367 /nfs/dbraw/zinc/30/43/67/1324304367.db2.gz XUGFDIQVNPQBFG-PXHZSSHCSA-N 2 2 346.862 3.146 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCC4)[C@@H]3C2)c(C)[nH+]1 ZINC001026317238 1324721194 /nfs/dbraw/zinc/72/11/94/1324721194.db2.gz KUNWLXPBOWVBSD-IPMKNSEASA-N 2 2 341.499 3.247 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCC4CC4)[C@@H]3C2)c(C)[nH+]1 ZINC001026318585 1324722537 /nfs/dbraw/zinc/72/25/37/1324722537.db2.gz YNUDYYGWLNXAGD-OTWHNJEPSA-N 2 2 341.499 3.247 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000925530270 1325193392 /nfs/dbraw/zinc/19/33/92/1325193392.db2.gz CHWDDYKYAWVHRL-HXUWFJFHSA-N 2 2 334.467 3.315 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000925547049 1325202343 /nfs/dbraw/zinc/20/23/43/1325202343.db2.gz NFFNVHMGTPBGSG-SFHVURJKSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(OCC(F)(F)F)cc1 ZINC000925564898 1325211568 /nfs/dbraw/zinc/21/15/68/1325211568.db2.gz MUEQTYDHHOUCLX-BEKKDYQOSA-N 2 2 340.389 3.275 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001027097458 1325222640 /nfs/dbraw/zinc/22/26/40/1325222640.db2.gz WCLZNMSKKHGGGY-IEBWSBKVSA-N 2 2 346.519 3.243 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H](O)c1c(Cl)cccc1Cl ZINC000925619621 1325232801 /nfs/dbraw/zinc/23/28/01/1325232801.db2.gz PRLNUAFCTQHDBC-WEXRBYLLSA-N 2 2 341.282 3.001 20 0 EGADLP Cn1c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc2cc(Cl)ccc21 ZINC000925641784 1325243206 /nfs/dbraw/zinc/24/32/06/1325243206.db2.gz BPFZGCZSBFFAAU-CVEARBPZSA-N 2 2 346.906 3.485 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444233 1325251006 /nfs/dbraw/zinc/25/10/06/1325251006.db2.gz VRLLYJUIZIDMCA-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444233 1325251019 /nfs/dbraw/zinc/25/10/19/1325251019.db2.gz VRLLYJUIZIDMCA-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925674346 1325258306 /nfs/dbraw/zinc/25/83/06/1325258306.db2.gz CHNPSIXWTREMBM-CRAIPNDOSA-N 2 2 327.472 3.139 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963670610 1325369042 /nfs/dbraw/zinc/36/90/42/1325369042.db2.gz PXNMOJCHQGIMDC-UHFFFAOYSA-N 2 2 340.471 3.107 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387982 1325589902 /nfs/dbraw/zinc/58/99/02/1325589902.db2.gz IFKJRGJHOQMIKO-SFHVURJKSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387982 1325589907 /nfs/dbraw/zinc/58/99/07/1325589907.db2.gz IFKJRGJHOQMIKO-SFHVURJKSA-N 2 2 344.503 3.156 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595044 1327941828 /nfs/dbraw/zinc/94/18/28/1327941828.db2.gz UAWRQTKOEKUYLB-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595044 1327941839 /nfs/dbraw/zinc/94/18/39/1327941839.db2.gz UAWRQTKOEKUYLB-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932433391 1329814338 /nfs/dbraw/zinc/81/43/38/1329814338.db2.gz DXZPYZPORGMFGX-SFHVURJKSA-N 2 2 340.471 3.060 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932433391 1329814339 /nfs/dbraw/zinc/81/43/39/1329814339.db2.gz DXZPYZPORGMFGX-SFHVURJKSA-N 2 2 340.471 3.060 20 0 EGADLP CCCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000934085791 1329945428 /nfs/dbraw/zinc/94/54/28/1329945428.db2.gz YIVMVCVNHQPWSA-QGZVFWFLSA-N 2 2 345.491 3.020 20 0 EGADLP CCCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000934085791 1329945430 /nfs/dbraw/zinc/94/54/30/1329945430.db2.gz YIVMVCVNHQPWSA-QGZVFWFLSA-N 2 2 345.491 3.020 20 0 EGADLP CCC[N@H+](C[C@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185057 1329953091 /nfs/dbraw/zinc/95/30/91/1329953091.db2.gz HXSOQGFBSGWDSH-NRFANRHFSA-N 2 2 348.531 3.149 20 0 EGADLP CCC[N@@H+](C[C@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185057 1329953093 /nfs/dbraw/zinc/95/30/93/1329953093.db2.gz HXSOQGFBSGWDSH-NRFANRHFSA-N 2 2 348.531 3.149 20 0 EGADLP CC1(C)C[N@H+](C/C=C/Cl)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838959 1331213639 /nfs/dbraw/zinc/21/36/39/1331213639.db2.gz KFMKOSVXMAZSEK-WUTVXBCWSA-N 2 2 346.862 3.146 20 0 EGADLP CC1(C)C[N@@H+](C/C=C/Cl)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838959 1331213642 /nfs/dbraw/zinc/21/36/42/1331213642.db2.gz KFMKOSVXMAZSEK-WUTVXBCWSA-N 2 2 346.862 3.146 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183436 1331866681 /nfs/dbraw/zinc/86/66/81/1331866681.db2.gz HEKNLINZMKQEOL-WMLDXEAASA-N 2 2 342.487 3.439 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183436 1331866685 /nfs/dbraw/zinc/86/66/85/1331866685.db2.gz HEKNLINZMKQEOL-WMLDXEAASA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175827 1332114115 /nfs/dbraw/zinc/11/41/15/1332114115.db2.gz IQTGVJWMLOZIAK-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943175827 1332114118 /nfs/dbraw/zinc/11/41/18/1332114118.db2.gz IQTGVJWMLOZIAK-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C[C@@H]1C ZINC000944442549 1332412821 /nfs/dbraw/zinc/41/28/21/1332412821.db2.gz DHEKURZHLXGWND-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)C[C@@H]1C ZINC000944442549 1332412823 /nfs/dbraw/zinc/41/28/23/1332412823.db2.gz DHEKURZHLXGWND-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947440801 1333128340 /nfs/dbraw/zinc/12/83/40/1333128340.db2.gz DCHYXKUEQQZRHY-DOTOQJQBSA-N 2 2 347.503 3.038 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947440801 1333128342 /nfs/dbraw/zinc/12/83/42/1333128342.db2.gz DCHYXKUEQQZRHY-DOTOQJQBSA-N 2 2 347.503 3.038 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000948090910 1333372293 /nfs/dbraw/zinc/37/22/93/1333372293.db2.gz QOCFINTXDYCUAB-WMZOPIPTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948090910 1333372296 /nfs/dbraw/zinc/37/22/96/1333372296.db2.gz QOCFINTXDYCUAB-WMZOPIPTSA-N 2 2 346.519 3.069 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948886566 1333719341 /nfs/dbraw/zinc/71/93/41/1333719341.db2.gz OQYIGQRHEUFFJL-SFHVURJKSA-N 2 2 344.503 3.156 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948886566 1333719342 /nfs/dbraw/zinc/71/93/42/1333719342.db2.gz OQYIGQRHEUFFJL-SFHVURJKSA-N 2 2 344.503 3.156 20 0 EGADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950773605 1334127079 /nfs/dbraw/zinc/12/70/79/1334127079.db2.gz MLJXPLBQHWLLQI-MRXNPFEDSA-N 2 2 348.450 3.242 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205315414 1370718675 /nfs/dbraw/zinc/71/86/75/1370718675.db2.gz GJCZXROMDYRHGV-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205315414 1370718678 /nfs/dbraw/zinc/71/86/78/1370718678.db2.gz GJCZXROMDYRHGV-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP CC1CC(C[NH+]2CCC(N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001005583307 1336375338 /nfs/dbraw/zinc/37/53/38/1336375338.db2.gz HZPOGJMGYOXJMX-UHFFFAOYSA-N 2 2 340.471 3.145 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005584729 1336375986 /nfs/dbraw/zinc/37/59/86/1336375986.db2.gz VOKMLYJXOHCGNT-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006187759 1336464127 /nfs/dbraw/zinc/46/41/27/1336464127.db2.gz LKQCFVLOQHBXEC-SFHVURJKSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001007593145 1336673339 /nfs/dbraw/zinc/67/33/39/1336673339.db2.gz DAPFXSIEDVWFLR-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001007593145 1336673342 /nfs/dbraw/zinc/67/33/42/1336673342.db2.gz DAPFXSIEDVWFLR-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940662 1337960980 /nfs/dbraw/zinc/96/09/80/1337960980.db2.gz KVSKTRQAIXDBKW-QGZVFWFLSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940662 1337960984 /nfs/dbraw/zinc/96/09/84/1337960984.db2.gz KVSKTRQAIXDBKW-QGZVFWFLSA-N 2 2 348.450 3.184 20 0 EGADLP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017593640 1339374595 /nfs/dbraw/zinc/37/45/95/1339374595.db2.gz BAKJWHCEZHPVBE-CALCHBBNSA-N 2 2 347.528 3.065 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001017593640 1339374601 /nfs/dbraw/zinc/37/46/01/1339374601.db2.gz BAKJWHCEZHPVBE-CALCHBBNSA-N 2 2 347.528 3.065 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028631122 1340734135 /nfs/dbraw/zinc/73/41/35/1340734135.db2.gz AKPMOGSRTBRQKK-INIZCTEOSA-N 2 2 338.455 3.115 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028631122 1340734144 /nfs/dbraw/zinc/73/41/44/1340734144.db2.gz AKPMOGSRTBRQKK-INIZCTEOSA-N 2 2 338.455 3.115 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001029168317 1340947389 /nfs/dbraw/zinc/94/73/89/1340947389.db2.gz XHNBDNIJHBLJEH-HNNXBMFYSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001030000596 1341152317 /nfs/dbraw/zinc/15/23/17/1341152317.db2.gz BGOSOBQPMMLSSV-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001030000596 1341152318 /nfs/dbraw/zinc/15/23/18/1341152318.db2.gz BGOSOBQPMMLSSV-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001031773069 1341399857 /nfs/dbraw/zinc/39/98/57/1341399857.db2.gz LVACUJFSDJYNDQ-HNNXBMFYSA-N 2 2 348.450 3.294 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829823 1341628662 /nfs/dbraw/zinc/62/86/62/1341628662.db2.gz FOJXOKMIUUOENF-VKJFTORMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829823 1341628663 /nfs/dbraw/zinc/62/86/63/1341628663.db2.gz FOJXOKMIUUOENF-VKJFTORMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829823 1341628664 /nfs/dbraw/zinc/62/86/64/1341628664.db2.gz FOJXOKMIUUOENF-VKJFTORMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829823 1341628665 /nfs/dbraw/zinc/62/86/65/1341628665.db2.gz FOJXOKMIUUOENF-VKJFTORMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829787 1341628889 /nfs/dbraw/zinc/62/88/89/1341628889.db2.gz RRGASMMUBOIOSI-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829787 1341628892 /nfs/dbraw/zinc/62/88/92/1341628892.db2.gz RRGASMMUBOIOSI-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829787 1341628895 /nfs/dbraw/zinc/62/88/95/1341628895.db2.gz RRGASMMUBOIOSI-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829787 1341628899 /nfs/dbraw/zinc/62/88/99/1341628899.db2.gz RRGASMMUBOIOSI-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033163763 1341742114 /nfs/dbraw/zinc/74/21/14/1341742114.db2.gz RVMZOZNGFWLBPJ-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033163763 1341742118 /nfs/dbraw/zinc/74/21/18/1341742118.db2.gz RVMZOZNGFWLBPJ-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033163763 1341742127 /nfs/dbraw/zinc/74/21/27/1341742127.db2.gz RVMZOZNGFWLBPJ-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033163763 1341742135 /nfs/dbraw/zinc/74/21/35/1341742135.db2.gz RVMZOZNGFWLBPJ-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192893 1341749455 /nfs/dbraw/zinc/74/94/55/1341749455.db2.gz YWYNXGQWCVHSRQ-CRAIPNDOSA-N 2 2 348.450 3.470 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192893 1341749456 /nfs/dbraw/zinc/74/94/56/1341749456.db2.gz YWYNXGQWCVHSRQ-CRAIPNDOSA-N 2 2 348.450 3.470 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033617983 1341904972 /nfs/dbraw/zinc/90/49/72/1341904972.db2.gz CONTWAQYSGERJU-QGZVFWFLSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033617983 1341904976 /nfs/dbraw/zinc/90/49/76/1341904976.db2.gz CONTWAQYSGERJU-QGZVFWFLSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001034761664 1342742498 /nfs/dbraw/zinc/74/24/98/1342742498.db2.gz REMURJZWJNGFRJ-BRSBDYLESA-N 2 2 346.519 3.186 20 0 EGADLP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035201869 1343015552 /nfs/dbraw/zinc/01/55/52/1343015552.db2.gz XBBDFXJIMFYUNV-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP CCCC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CC2 ZINC001035201869 1343015554 /nfs/dbraw/zinc/01/55/54/1343015554.db2.gz XBBDFXJIMFYUNV-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001036122435 1343316063 /nfs/dbraw/zinc/31/60/63/1343316063.db2.gz DXMVOBFARWAYBJ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001036128961 1343319832 /nfs/dbraw/zinc/31/98/32/1343319832.db2.gz ZMOHCZUCZGUARV-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001036476217 1343505966 /nfs/dbraw/zinc/50/59/66/1343505966.db2.gz YXSNPBOYLSFFIZ-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036544267 1343546625 /nfs/dbraw/zinc/54/66/25/1343546625.db2.gz DAMRVZWOPUJGCX-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869310 1343806691 /nfs/dbraw/zinc/80/66/91/1343806691.db2.gz AUSKEOSABZTPDH-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869310 1343806693 /nfs/dbraw/zinc/80/66/93/1343806693.db2.gz AUSKEOSABZTPDH-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037911099 1344173708 /nfs/dbraw/zinc/17/37/08/1344173708.db2.gz YVXFEHSQHWZFNH-RTBURBONSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001037941221 1344193391 /nfs/dbraw/zinc/19/33/91/1344193391.db2.gz CZRAKCLOFMPFCV-QZTJIDSGSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001037941223 1344193509 /nfs/dbraw/zinc/19/35/09/1344193509.db2.gz CZRAKCLOFMPFCV-ZWKOTPCHSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416761 1344419036 /nfs/dbraw/zinc/41/90/36/1344419036.db2.gz PEHLHIOCHNEAAL-RHSMWYFYSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416761 1344419037 /nfs/dbraw/zinc/41/90/37/1344419037.db2.gz PEHLHIOCHNEAAL-RHSMWYFYSA-N 2 2 334.423 3.128 20 0 EGADLP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174360 1344865155 /nfs/dbraw/zinc/86/51/55/1344865155.db2.gz SNXPBZKGUNTVKQ-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174360 1344865159 /nfs/dbraw/zinc/86/51/59/1344865159.db2.gz SNXPBZKGUNTVKQ-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394074 1345043327 /nfs/dbraw/zinc/04/33/27/1345043327.db2.gz MJVFMDJPPNWNDB-UAGQMJEPSA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394074 1345043332 /nfs/dbraw/zinc/04/33/32/1345043332.db2.gz MJVFMDJPPNWNDB-UAGQMJEPSA-N 2 2 340.471 3.288 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042312928 1346028815 /nfs/dbraw/zinc/02/88/15/1346028815.db2.gz GNKUTVJECGYELY-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042312928 1346028818 /nfs/dbraw/zinc/02/88/18/1346028818.db2.gz GNKUTVJECGYELY-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP C[C@H](C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC001044004161 1346232591 /nfs/dbraw/zinc/23/25/91/1346232591.db2.gz CEJDQRVJOCZJDI-QZTJIDSGSA-N 2 2 343.515 3.155 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCC4CC4)C[C@@H]3C)ccn12 ZINC001044604096 1346380455 /nfs/dbraw/zinc/38/04/55/1346380455.db2.gz GTPPDYAKPFKZLZ-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934667 1346772422 /nfs/dbraw/zinc/77/24/22/1346772422.db2.gz AIBNMABGJNOWOY-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934667 1346772425 /nfs/dbraw/zinc/77/24/25/1346772425.db2.gz AIBNMABGJNOWOY-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001047265058 1347285948 /nfs/dbraw/zinc/28/59/48/1347285948.db2.gz PIKJWWWAWPVGCH-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001048041919 1347448846 /nfs/dbraw/zinc/44/88/46/1347448846.db2.gz ZVBOWDAZFAXTDB-NVXWUHKLSA-N 2 2 346.519 3.094 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CC3CCC3)[C@H](C)C2)c(C)[nH+]1 ZINC001048319754 1347517618 /nfs/dbraw/zinc/51/76/18/1347517618.db2.gz BCQHCLRBYZHVTL-RDTXWAMCSA-N 2 2 329.488 3.105 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552052 1347905186 /nfs/dbraw/zinc/90/51/86/1347905186.db2.gz KSXPIIHXHYWFHH-MOPGFXCFSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552052 1347905190 /nfs/dbraw/zinc/90/51/90/1347905190.db2.gz KSXPIIHXHYWFHH-MOPGFXCFSA-N 2 2 340.471 3.288 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001052555135 1348577595 /nfs/dbraw/zinc/57/75/95/1348577595.db2.gz PDNNJIVTZYJYJU-SFHVURJKSA-N 2 2 348.450 3.119 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001052555135 1348577598 /nfs/dbraw/zinc/57/75/98/1348577598.db2.gz PDNNJIVTZYJYJU-SFHVURJKSA-N 2 2 348.450 3.119 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205164 1349207107 /nfs/dbraw/zinc/20/71/07/1349207107.db2.gz LVYSJWLPTUIVGJ-ICSRJNTNSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205164 1349207111 /nfs/dbraw/zinc/20/71/11/1349207111.db2.gz LVYSJWLPTUIVGJ-ICSRJNTNSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001054798356 1349465446 /nfs/dbraw/zinc/46/54/46/1349465446.db2.gz UCINQVHAGDHXTM-IFXJQAMLSA-N 2 2 338.455 3.113 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610056 1354795081 /nfs/dbraw/zinc/79/50/81/1354795081.db2.gz QGNAJJMQLXTQJW-HOCLYGCPSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610056 1354795085 /nfs/dbraw/zinc/79/50/85/1354795085.db2.gz QGNAJJMQLXTQJW-HOCLYGCPSA-N 2 2 328.460 3.192 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072029581 1355090761 /nfs/dbraw/zinc/09/07/61/1355090761.db2.gz INAUZKKXLJAYAP-MAUKXSAKSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072029581 1355090765 /nfs/dbraw/zinc/09/07/65/1355090765.db2.gz INAUZKKXLJAYAP-MAUKXSAKSA-N 2 2 344.503 3.120 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001074042821 1356049327 /nfs/dbraw/zinc/04/93/27/1356049327.db2.gz HDDQYXOBWPVDGY-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001074042821 1356049330 /nfs/dbraw/zinc/04/93/30/1356049330.db2.gz HDDQYXOBWPVDGY-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074693616 1356224295 /nfs/dbraw/zinc/22/42/95/1356224295.db2.gz KBFWNABQYJGTKJ-HPBDAGMYSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074693616 1356224299 /nfs/dbraw/zinc/22/42/99/1356224299.db2.gz KBFWNABQYJGTKJ-HPBDAGMYSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074695324 1356224491 /nfs/dbraw/zinc/22/44/91/1356224491.db2.gz WIPYZUIZZIQPEB-HPBDAGMYSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074695324 1356224494 /nfs/dbraw/zinc/22/44/94/1356224494.db2.gz WIPYZUIZZIQPEB-HPBDAGMYSA-N 2 2 344.503 3.063 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107375 1363625867 /nfs/dbraw/zinc/62/58/67/1363625867.db2.gz YPZVIUHNBIAUFR-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107375 1363625869 /nfs/dbraw/zinc/62/58/69/1363625869.db2.gz YPZVIUHNBIAUFR-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107375 1363625873 /nfs/dbraw/zinc/62/58/73/1363625873.db2.gz YPZVIUHNBIAUFR-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107375 1363625875 /nfs/dbraw/zinc/62/58/75/1363625875.db2.gz YPZVIUHNBIAUFR-SFHVURJKSA-N 2 2 348.535 3.385 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085232202 1358438817 /nfs/dbraw/zinc/43/88/17/1358438817.db2.gz QSEAKTJUOOKSAO-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085232202 1358438822 /nfs/dbraw/zinc/43/88/22/1358438822.db2.gz QSEAKTJUOOKSAO-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001085345858 1358474402 /nfs/dbraw/zinc/47/44/02/1358474402.db2.gz UKOVIMJXKOLALT-RTBURBONSA-N 2 2 346.519 3.330 20 0 EGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)n2c1 ZINC001323324933 1387339119 /nfs/dbraw/zinc/33/91/19/1387339119.db2.gz XFHFDTLNKASMIU-QGZVFWFLSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3CNc3cccc(C)[nH+]3)n2c1 ZINC001323324933 1387339123 /nfs/dbraw/zinc/33/91/23/1387339123.db2.gz XFHFDTLNKASMIU-QGZVFWFLSA-N 2 2 335.455 3.423 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086919950 1359247326 /nfs/dbraw/zinc/24/73/26/1359247326.db2.gz CDIZFTPBBDMAEK-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946005 1359266879 /nfs/dbraw/zinc/26/68/79/1359266879.db2.gz NOKRFHMCINQIMM-MSOLQXFVSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H]1CC2(CN1C(=O)Cn1cc[nH+]c1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086959662 1359279783 /nfs/dbraw/zinc/27/97/83/1359279783.db2.gz OCSAOPKOLDUKIW-QGZVFWFLSA-N 2 2 346.519 3.022 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001088433766 1359902058 /nfs/dbraw/zinc/90/20/58/1359902058.db2.gz FILSQPPVDXFNOY-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CC2CCCCC2)C1 ZINC001089507860 1360479270 /nfs/dbraw/zinc/47/92/70/1360479270.db2.gz SHNPSNGUUIWSPU-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089507860 1360479273 /nfs/dbraw/zinc/47/92/73/1360479273.db2.gz SHNPSNGUUIWSPU-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CCCC2CCC2)C1 ZINC001089528597 1360491830 /nfs/dbraw/zinc/49/18/30/1360491830.db2.gz LHGMSOMNGVUBIB-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089528597 1360491831 /nfs/dbraw/zinc/49/18/31/1360491831.db2.gz LHGMSOMNGVUBIB-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](C[NH2+]CCC(C)C)[C@@H](C)C2)c[nH+]1 ZINC001184653448 1387503513 /nfs/dbraw/zinc/50/35/13/1387503513.db2.gz RJJRPLCKMHSWOS-FUHWJXTLSA-N 2 2 348.535 3.047 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001184850868 1387549328 /nfs/dbraw/zinc/54/93/28/1387549328.db2.gz HVAHHDQXPURRKP-ROUUACIJSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C/Cl)[C@H](C)C2)c(C)[nH+]1 ZINC001184852230 1387549619 /nfs/dbraw/zinc/54/96/19/1387549619.db2.gz UOSZTAXIXAMTFK-UHZVSMRUSA-N 2 2 349.906 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CC(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001184853324 1387549767 /nfs/dbraw/zinc/54/97/67/1387549767.db2.gz ZWVRDLBJVMOJGU-YJBOKZPZSA-N 2 2 331.504 3.351 20 0 EGADLP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098814415 1363479182 /nfs/dbraw/zinc/47/91/82/1363479182.db2.gz PRWAXNYFSAIEQP-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357944 1363771130 /nfs/dbraw/zinc/77/11/30/1363771130.db2.gz CNHKJOBVTPQMLD-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357944 1363771135 /nfs/dbraw/zinc/77/11/35/1363771135.db2.gz CNHKJOBVTPQMLD-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP CCCCC[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001100819305 1364277855 /nfs/dbraw/zinc/27/78/55/1364277855.db2.gz RIBQWTDMEOCRNU-UHFFFAOYSA-N 2 2 340.471 3.161 20 0 EGADLP CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352296 1365983046 /nfs/dbraw/zinc/98/30/46/1365983046.db2.gz NRXLIFXBZDTZLB-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104777622 1366168173 /nfs/dbraw/zinc/16/81/73/1366168173.db2.gz RGUOEGKVTWMKGN-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104777622 1366168177 /nfs/dbraw/zinc/16/81/77/1366168177.db2.gz RGUOEGKVTWMKGN-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788608 1387799934 /nfs/dbraw/zinc/79/99/34/1387799934.db2.gz PMNCLTSCDDLLBZ-HKUYNNGSSA-N 2 2 348.535 3.174 20 0 EGADLP CC[NH2+]CC1([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001105544472 1366521827 /nfs/dbraw/zinc/52/18/27/1366521827.db2.gz KZLOBYRKVHMDCS-GOSISDBHSA-N 2 2 340.471 3.337 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288078 1366643644 /nfs/dbraw/zinc/64/36/44/1366643644.db2.gz CLPHXULTLPURON-QRVBRYPASA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386373 1366948661 /nfs/dbraw/zinc/94/86/61/1366948661.db2.gz PCRKMHZSVAIWIK-PTUVJSPFSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386373 1366948663 /nfs/dbraw/zinc/94/86/63/1366948663.db2.gz PCRKMHZSVAIWIK-PTUVJSPFSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448234 1367128476 /nfs/dbraw/zinc/12/84/76/1367128476.db2.gz GYHJATFPOMVOSU-PISXRELSSA-N 2 2 338.455 3.254 20 0 EGADLP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448234 1367128480 /nfs/dbraw/zinc/12/84/80/1367128480.db2.gz GYHJATFPOMVOSU-PISXRELSSA-N 2 2 338.455 3.254 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818493 1367358350 /nfs/dbraw/zinc/35/83/50/1367358350.db2.gz QBLQDHLUBRHQPE-OALUTQOASA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818493 1367358357 /nfs/dbraw/zinc/35/83/57/1367358357.db2.gz QBLQDHLUBRHQPE-OALUTQOASA-N 2 2 346.519 3.193 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108711535 1367549316 /nfs/dbraw/zinc/54/93/16/1367549316.db2.gz LHAUHNFVXSFPRX-BZSNNMDCSA-N 2 2 346.519 3.086 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001111078118 1368153453 /nfs/dbraw/zinc/15/34/53/1368153453.db2.gz KMCAWXDRZJLFEJ-OWYHZJEWSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001111078118 1368153457 /nfs/dbraw/zinc/15/34/57/1368153457.db2.gz KMCAWXDRZJLFEJ-OWYHZJEWSA-N 2 2 344.503 3.136 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001196242427 1368573931 /nfs/dbraw/zinc/57/39/31/1368573931.db2.gz IDSFXFJLVNQNKU-IBGZPJMESA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001196242427 1368573934 /nfs/dbraw/zinc/57/39/34/1368573934.db2.gz IDSFXFJLVNQNKU-IBGZPJMESA-N 2 2 346.519 3.195 20 0 EGADLP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1Cl ZINC001197931075 1368925718 /nfs/dbraw/zinc/92/57/18/1368925718.db2.gz VAVYDOHLJKDTEN-AWEZNQCLSA-N 2 2 331.847 3.454 20 0 EGADLP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1Cl ZINC001197931075 1368925726 /nfs/dbraw/zinc/92/57/26/1368925726.db2.gz VAVYDOHLJKDTEN-AWEZNQCLSA-N 2 2 331.847 3.454 20 0 EGADLP CCC(CC)[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199170626 1369187785 /nfs/dbraw/zinc/18/77/85/1369187785.db2.gz KQPSKYLOASZSHK-QMMLZNLJSA-N 2 2 331.548 3.463 20 0 EGADLP C[C@@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC001199296548 1369203508 /nfs/dbraw/zinc/20/35/08/1369203508.db2.gz VHCMLJCPEPDMLB-JKBKZWBZSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC001199296548 1369203510 /nfs/dbraw/zinc/20/35/10/1369203510.db2.gz VHCMLJCPEPDMLB-JKBKZWBZSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC001199296548 1369203513 /nfs/dbraw/zinc/20/35/13/1369203513.db2.gz VHCMLJCPEPDMLB-JKBKZWBZSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC001199296548 1369203518 /nfs/dbraw/zinc/20/35/18/1369203518.db2.gz VHCMLJCPEPDMLB-JKBKZWBZSA-N 2 2 329.532 3.359 20 0 EGADLP Brc1ccsc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001199412476 1369220650 /nfs/dbraw/zinc/22/06/50/1369220650.db2.gz IATUHXOPZLIWCD-UHFFFAOYSA-N 2 2 329.307 3.475 20 0 EGADLP C[NH+](C)[C@@]1(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872952 1369441924 /nfs/dbraw/zinc/44/19/24/1369441924.db2.gz XVBFXLKPECWDRJ-UYAOXDASSA-N 2 2 347.572 3.066 20 0 EGADLP C[NH+](C)[C@@]1(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872952 1369441929 /nfs/dbraw/zinc/44/19/29/1369441929.db2.gz XVBFXLKPECWDRJ-UYAOXDASSA-N 2 2 347.572 3.066 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529069 1369479508 /nfs/dbraw/zinc/47/95/08/1369479508.db2.gz CAJMJIXMCCYRRO-FQEVSTJZSA-N 2 2 345.531 3.404 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529069 1369479510 /nfs/dbraw/zinc/47/95/10/1369479510.db2.gz CAJMJIXMCCYRRO-FQEVSTJZSA-N 2 2 345.531 3.404 20 0 EGADLP CCCCCC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001201230011 1369500099 /nfs/dbraw/zinc/50/00/99/1369500099.db2.gz LLXGQFITPYXUDM-UHFFFAOYSA-N 2 2 334.508 3.088 20 0 EGADLP C[NH+]1CCC(COc2cccc(F)c2Nc2ccc(N)[nH+]c2)CC1 ZINC001201294725 1369512172 /nfs/dbraw/zinc/51/21/72/1369512172.db2.gz GVBOZCFWHVBJAS-UHFFFAOYSA-N 2 2 330.407 3.267 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc4ncccc4c3)[nH+]c2)C1 ZINC001201536885 1369567514 /nfs/dbraw/zinc/56/75/14/1369567514.db2.gz ZAQLZWPNSVCEGR-IBGZPJMESA-N 2 2 347.466 3.382 20 0 EGADLP CCC/C=C\CC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201589021 1369583406 /nfs/dbraw/zinc/58/34/06/1369583406.db2.gz SQYYJUPTDKYUBK-PLNGDYQASA-N 2 2 340.471 3.275 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001113724331 1369586500 /nfs/dbraw/zinc/58/65/00/1369586500.db2.gz XBSLVEOYFKTZKW-MOPGFXCFSA-N 2 2 346.519 3.024 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404831 1369762101 /nfs/dbraw/zinc/76/21/01/1369762101.db2.gz IYHFHLGZSISQRJ-QWHCGFSZSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404831 1369762104 /nfs/dbraw/zinc/76/21/04/1369762104.db2.gz IYHFHLGZSISQRJ-QWHCGFSZSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202404831 1369762108 /nfs/dbraw/zinc/76/21/08/1369762108.db2.gz IYHFHLGZSISQRJ-QWHCGFSZSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202404831 1369762111 /nfs/dbraw/zinc/76/21/11/1369762111.db2.gz IYHFHLGZSISQRJ-QWHCGFSZSA-N 2 2 333.423 3.382 20 0 EGADLP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202693692 1369853680 /nfs/dbraw/zinc/85/36/80/1369853680.db2.gz CCIXWLZRIXKOSQ-RTRPANQVSA-N 2 2 332.492 3.161 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202856215 1369909568 /nfs/dbraw/zinc/90/95/68/1369909568.db2.gz QWOLZSDRNKWETC-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202856215 1369909573 /nfs/dbraw/zinc/90/95/73/1369909573.db2.gz QWOLZSDRNKWETC-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)c1 ZINC001203026087 1369958697 /nfs/dbraw/zinc/95/86/97/1369958697.db2.gz KJSWSODHAAVYTO-VXKWHMMOSA-N 2 2 333.479 3.134 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203076901 1369974541 /nfs/dbraw/zinc/97/45/41/1369974541.db2.gz ANANCONBRCBUII-ROUUACIJSA-N 2 2 340.471 3.384 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]([NH2+]C/C=C\Cl)C23CCC3)c(C)[nH+]1 ZINC001203194199 1370020313 /nfs/dbraw/zinc/02/03/13/1370020313.db2.gz ZNAWOPQBPCASQN-OXUBUWLOSA-N 2 2 347.890 3.390 20 0 EGADLP CCc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)on1 ZINC001203212608 1370026992 /nfs/dbraw/zinc/02/69/92/1370026992.db2.gz PJJPNDDGMGEDJB-UHFFFAOYSA-N 2 2 336.439 3.416 20 0 EGADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC001203700168 1370225299 /nfs/dbraw/zinc/22/52/99/1370225299.db2.gz JTBRDCCKIKIRLV-UHFFFAOYSA-N 2 2 344.499 3.235 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001203955611 1370329204 /nfs/dbraw/zinc/32/92/04/1370329204.db2.gz JLLUQKAFHNCSHE-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001203955611 1370329211 /nfs/dbraw/zinc/32/92/11/1370329211.db2.gz JLLUQKAFHNCSHE-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001203955611 1370329219 /nfs/dbraw/zinc/32/92/19/1370329219.db2.gz JLLUQKAFHNCSHE-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001203955611 1370329227 /nfs/dbraw/zinc/32/92/27/1370329227.db2.gz JLLUQKAFHNCSHE-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP CC1CCC(C[NH2+]C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001204069853 1370367841 /nfs/dbraw/zinc/36/78/41/1370367841.db2.gz WHFTUMNEQVBCTJ-UHFFFAOYSA-N 2 2 346.519 3.070 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(Cl)c1Cl ZINC001204182785 1370401602 /nfs/dbraw/zinc/40/16/02/1370401602.db2.gz SQEHQPOPHVWDTI-JKSUJKDBSA-N 2 2 342.314 3.204 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(Cl)c1Cl ZINC001204182785 1370401607 /nfs/dbraw/zinc/40/16/07/1370401607.db2.gz SQEHQPOPHVWDTI-JKSUJKDBSA-N 2 2 342.314 3.204 20 0 EGADLP Cc1c(F)cccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001204508510 1370497634 /nfs/dbraw/zinc/49/76/34/1370497634.db2.gz GRSDVCDNYLMVGH-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c(F)cccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001204508510 1370497635 /nfs/dbraw/zinc/49/76/35/1370497635.db2.gz GRSDVCDNYLMVGH-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001204508510 1370497637 /nfs/dbraw/zinc/49/76/37/1370497637.db2.gz GRSDVCDNYLMVGH-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001204508510 1370497639 /nfs/dbraw/zinc/49/76/39/1370497639.db2.gz GRSDVCDNYLMVGH-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP COCOc1cc(C)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC001204612229 1370530129 /nfs/dbraw/zinc/53/01/29/1370530129.db2.gz KEPVKFHYUIVLMH-GOSISDBHSA-N 2 2 340.467 3.486 20 0 EGADLP COCOc1cc(C)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1 ZINC001204612229 1370530130 /nfs/dbraw/zinc/53/01/30/1370530130.db2.gz KEPVKFHYUIVLMH-GOSISDBHSA-N 2 2 340.467 3.486 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CCCCC1 ZINC001115605313 1370604082 /nfs/dbraw/zinc/60/40/82/1370604082.db2.gz XNYHUCLNQJVFLT-INIZCTEOSA-N 2 2 346.519 3.032 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CCCCC1 ZINC001115605313 1370604088 /nfs/dbraw/zinc/60/40/88/1370604088.db2.gz XNYHUCLNQJVFLT-INIZCTEOSA-N 2 2 346.519 3.032 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001204933838 1370609785 /nfs/dbraw/zinc/60/97/85/1370609785.db2.gz WXWDEOBOBPBNOT-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001204933838 1370609790 /nfs/dbraw/zinc/60/97/90/1370609790.db2.gz WXWDEOBOBPBNOT-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257482 1370697784 /nfs/dbraw/zinc/69/77/84/1370697784.db2.gz VTVGYSPHMDOYKF-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257482 1370697786 /nfs/dbraw/zinc/69/77/86/1370697786.db2.gz VTVGYSPHMDOYKF-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001205263436 1370699177 /nfs/dbraw/zinc/69/91/77/1370699177.db2.gz NVAWIPTXJCXNKX-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205319099 1370721151 /nfs/dbraw/zinc/72/11/51/1370721151.db2.gz YUSXIAZAYYNJQI-GXTWGEPZSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205319099 1370721155 /nfs/dbraw/zinc/72/11/55/1370721155.db2.gz YUSXIAZAYYNJQI-GXTWGEPZSA-N 2 2 341.293 3.183 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205450044 1370760069 /nfs/dbraw/zinc/76/00/69/1370760069.db2.gz UVQKSTCGGRHDGH-AWEZNQCLSA-N 2 2 337.345 3.457 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205450044 1370760074 /nfs/dbraw/zinc/76/00/74/1370760074.db2.gz UVQKSTCGGRHDGH-AWEZNQCLSA-N 2 2 337.345 3.457 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001116190529 1370855844 /nfs/dbraw/zinc/85/58/44/1370855844.db2.gz QQIWWZACXFLYCD-KRWDZBQOSA-N 2 2 327.472 3.480 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205781712 1370868170 /nfs/dbraw/zinc/86/81/70/1370868170.db2.gz XWKIIWLQIPKPTA-OAHLLOKOSA-N 2 2 340.414 3.058 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205781712 1370868174 /nfs/dbraw/zinc/86/81/74/1370868174.db2.gz XWKIIWLQIPKPTA-OAHLLOKOSA-N 2 2 340.414 3.058 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])n2)cc1 ZINC001205826830 1370884519 /nfs/dbraw/zinc/88/45/19/1370884519.db2.gz CHBTYBVLSYBFMX-MAUKXSAKSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])n2)cc1 ZINC001205826830 1370884525 /nfs/dbraw/zinc/88/45/25/1370884525.db2.gz CHBTYBVLSYBFMX-MAUKXSAKSA-N 2 2 325.456 3.316 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013792 1370939277 /nfs/dbraw/zinc/93/92/77/1370939277.db2.gz UIKKRIMJVRDWMJ-CMPLNLGQSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013792 1370939279 /nfs/dbraw/zinc/93/92/79/1370939279.db2.gz UIKKRIMJVRDWMJ-CMPLNLGQSA-N 2 2 345.256 3.101 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H](C)[C@H]([NH3+])C3)c2)cc1 ZINC001206049837 1370948230 /nfs/dbraw/zinc/94/82/30/1370948230.db2.gz SKTKOIDYULKQSR-FOIQADDNSA-N 2 2 338.451 3.309 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@H](C)[C@H]([NH3+])C3)c2)cc1 ZINC001206049837 1370948236 /nfs/dbraw/zinc/94/82/36/1370948236.db2.gz SKTKOIDYULKQSR-FOIQADDNSA-N 2 2 338.451 3.309 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206185185 1370984505 /nfs/dbraw/zinc/98/45/05/1370984505.db2.gz LLOSDMXAXULKCX-NWDGAFQWSA-N 2 2 335.286 3.334 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206185185 1370984509 /nfs/dbraw/zinc/98/45/09/1370984509.db2.gz LLOSDMXAXULKCX-NWDGAFQWSA-N 2 2 335.286 3.334 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533303 1371086367 /nfs/dbraw/zinc/08/63/67/1371086367.db2.gz CMRVRSPDLYXFGK-SJORKVTESA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533303 1371086371 /nfs/dbraw/zinc/08/63/71/1371086371.db2.gz CMRVRSPDLYXFGK-SJORKVTESA-N 2 2 348.535 3.099 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCc2ccccc2C1 ZINC001118241579 1371151871 /nfs/dbraw/zinc/15/18/71/1371151871.db2.gz ZRJJFIMIIGDORD-KRWDZBQOSA-N 2 2 332.407 3.319 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206812223 1371177678 /nfs/dbraw/zinc/17/76/78/1371177678.db2.gz YGYVYGBSFBUFTQ-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206812223 1371177679 /nfs/dbraw/zinc/17/76/79/1371177679.db2.gz YGYVYGBSFBUFTQ-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP FC(F)(F)[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001207292380 1371352464 /nfs/dbraw/zinc/35/24/64/1371352464.db2.gz QKMZKDYBFBVSAA-QGZVFWFLSA-N 2 2 342.405 3.162 20 0 EGADLP FC(F)(F)[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001207292380 1371352466 /nfs/dbraw/zinc/35/24/66/1371352466.db2.gz QKMZKDYBFBVSAA-QGZVFWFLSA-N 2 2 342.405 3.162 20 0 EGADLP FC1(F)CCC(C[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001207345149 1371366589 /nfs/dbraw/zinc/36/65/89/1371366589.db2.gz BMVLHZCKURFAIZ-UHFFFAOYSA-N 2 2 338.446 3.120 20 0 EGADLP FC1(F)CCC(C[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001207345149 1371366594 /nfs/dbraw/zinc/36/65/94/1371366594.db2.gz BMVLHZCKURFAIZ-UHFFFAOYSA-N 2 2 338.446 3.120 20 0 EGADLP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1CCC1CC[NH+](C)CC1 ZINC001207487615 1371411121 /nfs/dbraw/zinc/41/11/21/1371411121.db2.gz OBKKFKJRXAUCGS-NRFANRHFSA-N 2 2 329.532 3.315 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCC1CC[NH+](C)CC1 ZINC001207487615 1371411122 /nfs/dbraw/zinc/41/11/22/1371411122.db2.gz OBKKFKJRXAUCGS-NRFANRHFSA-N 2 2 329.532 3.315 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659848 1371467714 /nfs/dbraw/zinc/46/77/14/1371467714.db2.gz PKVSNVUZMJHWQZ-IOIJZZRGSA-N 2 2 346.519 3.263 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659848 1371467717 /nfs/dbraw/zinc/46/77/17/1371467717.db2.gz PKVSNVUZMJHWQZ-IOIJZZRGSA-N 2 2 346.519 3.263 20 0 EGADLP CCCCCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120068153 1371476062 /nfs/dbraw/zinc/47/60/62/1371476062.db2.gz DYVISDRMXHJIDD-UHFFFAOYSA-N 2 2 334.508 3.250 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCC(C)C)CCCCC1 ZINC001120069258 1371476766 /nfs/dbraw/zinc/47/67/66/1371476766.db2.gz ZKKFZFYABXYNPE-UHFFFAOYSA-N 2 2 334.508 3.106 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413960 1371566006 /nfs/dbraw/zinc/56/60/06/1371566006.db2.gz QSISDUNMBRSPGF-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413960 1371566007 /nfs/dbraw/zinc/56/60/07/1371566007.db2.gz QSISDUNMBRSPGF-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP COc1cc2c(cc1OC)C[N@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208190628 1371630268 /nfs/dbraw/zinc/63/02/68/1371630268.db2.gz HGBJTWHABGYGCF-UHFFFAOYSA-N 2 2 332.488 3.184 20 0 EGADLP COc1cc2c(cc1OC)C[N@@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208190628 1371630270 /nfs/dbraw/zinc/63/02/70/1371630270.db2.gz HGBJTWHABGYGCF-UHFFFAOYSA-N 2 2 332.488 3.184 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386346 1371747028 /nfs/dbraw/zinc/74/70/28/1371747028.db2.gz BLZICJOSOYCNRJ-ROUUACIJSA-N 2 2 332.492 3.017 20 0 EGADLP Brc1ccc2c(C3C[NH+](C[C@@H]4CCC=CO4)C3)[nH+]cn2c1 ZINC001208883842 1371931032 /nfs/dbraw/zinc/93/10/32/1371931032.db2.gz YZYGGLNQBPZUGG-AWEZNQCLSA-N 2 2 348.244 3.189 20 0 EGADLP O=C1CC[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944292 1371956840 /nfs/dbraw/zinc/95/68/40/1371956840.db2.gz PCTYKBDDXQDVBY-FPOVZHCZSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944292 1371956843 /nfs/dbraw/zinc/95/68/43/1371956843.db2.gz PCTYKBDDXQDVBY-FPOVZHCZSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944292 1371956844 /nfs/dbraw/zinc/95/68/44/1371956844.db2.gz PCTYKBDDXQDVBY-FPOVZHCZSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944292 1371956848 /nfs/dbraw/zinc/95/68/48/1371956848.db2.gz PCTYKBDDXQDVBY-FPOVZHCZSA-N 2 2 342.483 3.070 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985258 1371967942 /nfs/dbraw/zinc/96/79/42/1371967942.db2.gz OTXQOFDMZWVYFJ-AJSYRKLNSA-N 2 2 332.492 3.017 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985258 1371967947 /nfs/dbraw/zinc/96/79/47/1371967947.db2.gz OTXQOFDMZWVYFJ-AJSYRKLNSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)(C)OC(=O)NCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001209376206 1372082799 /nfs/dbraw/zinc/08/27/99/1372082799.db2.gz SRFFEHFANPTOAF-UHFFFAOYSA-N 2 2 336.480 3.215 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897353 1372117776 /nfs/dbraw/zinc/11/77/76/1372117776.db2.gz ZKSBHKTYIGZHRF-YADNIXQGSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2 ZINC001121897353 1372117778 /nfs/dbraw/zinc/11/77/78/1372117778.db2.gz ZKSBHKTYIGZHRF-YADNIXQGSA-N 2 2 346.519 3.042 20 0 EGADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001209494770 1372121008 /nfs/dbraw/zinc/12/10/08/1372121008.db2.gz KAEDWEZCBDASER-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001209494770 1372121012 /nfs/dbraw/zinc/12/10/12/1372121012.db2.gz KAEDWEZCBDASER-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001209494770 1372121015 /nfs/dbraw/zinc/12/10/15/1372121015.db2.gz KAEDWEZCBDASER-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001209494770 1372121019 /nfs/dbraw/zinc/12/10/19/1372121019.db2.gz KAEDWEZCBDASER-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209692295 1372171842 /nfs/dbraw/zinc/17/18/42/1372171842.db2.gz JWSLAHTYEITNJM-GOSISDBHSA-N 2 2 345.462 3.382 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209692295 1372171845 /nfs/dbraw/zinc/17/18/45/1372171845.db2.gz JWSLAHTYEITNJM-GOSISDBHSA-N 2 2 345.462 3.382 20 0 EGADLP Cc1cccn2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)nc12 ZINC001209740755 1372181195 /nfs/dbraw/zinc/18/11/95/1372181195.db2.gz AAEZPYJPEOPLRA-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2cc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)nc12 ZINC001209740755 1372181197 /nfs/dbraw/zinc/18/11/97/1372181197.db2.gz AAEZPYJPEOPLRA-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2cc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)nc12 ZINC001209740755 1372181201 /nfs/dbraw/zinc/18/12/01/1372181201.db2.gz AAEZPYJPEOPLRA-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2cc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)nc12 ZINC001209740755 1372181205 /nfs/dbraw/zinc/18/12/05/1372181205.db2.gz AAEZPYJPEOPLRA-RBUKOAKNSA-N 2 2 326.488 3.482 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3cccn3C3CC3)[nH+]c2)CC1 ZINC001326429514 1388186166 /nfs/dbraw/zinc/18/61/66/1388186166.db2.gz GHYKZAWLVQZBKE-UHFFFAOYSA-N 2 2 339.487 3.361 20 0 EGADLP CCOc1cc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc(C)[nH+]1 ZINC001212711765 1372759078 /nfs/dbraw/zinc/75/90/78/1372759078.db2.gz RHMONSHYPFBGRV-UHFFFAOYSA-N 2 2 326.444 3.284 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001127299472 1373113243 /nfs/dbraw/zinc/11/32/43/1373113243.db2.gz RHVKLLFQGZXOFD-SFHVURJKSA-N 2 2 336.439 3.113 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001129902890 1373433401 /nfs/dbraw/zinc/43/34/01/1373433401.db2.gz JFBMLIYFMPAAIA-GDIGMMSISA-N 2 2 348.450 3.133 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC001129902890 1373433406 /nfs/dbraw/zinc/43/34/06/1373433406.db2.gz JFBMLIYFMPAAIA-GDIGMMSISA-N 2 2 348.450 3.133 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001130006312 1373445459 /nfs/dbraw/zinc/44/54/59/1373445459.db2.gz BTRRFXPWJIBYTF-SFHVURJKSA-N 2 2 346.519 3.147 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001130006903 1373445799 /nfs/dbraw/zinc/44/57/99/1373445799.db2.gz XODRLZLRWUSQTB-QAPCUYQASA-N 2 2 346.450 3.076 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130268664 1373481859 /nfs/dbraw/zinc/48/18/59/1373481859.db2.gz CYFHWYMYBOCYFC-UHFFFAOYSA-N 2 2 336.439 3.206 20 0 EGADLP Cc1nc2cc(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)c(C)cc2s1 ZINC001219105669 1373687802 /nfs/dbraw/zinc/68/78/02/1373687802.db2.gz PWEXCOYYIJRANI-CQSZACIVSA-N 2 2 340.452 3.124 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCc2ccsc2)c(C)[nH+]1 ZINC001131560225 1373721325 /nfs/dbraw/zinc/72/13/25/1373721325.db2.gz CQSXMVSSIQPSBF-UHFFFAOYSA-N 2 2 331.485 3.021 20 0 EGADLP CCCC(C[NH3+])(CCC)NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001221375807 1373771719 /nfs/dbraw/zinc/77/17/19/1373771719.db2.gz TXQBMWFFIQBYCA-UHFFFAOYSA-N 2 2 328.460 3.115 20 0 EGADLP COCc1ccc(Cl)c(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001222261522 1373821952 /nfs/dbraw/zinc/82/19/52/1373821952.db2.gz DTOMPUGUJOUUDL-UHFFFAOYSA-N 2 2 327.815 3.488 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188349235 1388294287 /nfs/dbraw/zinc/29/42/87/1388294287.db2.gz KFWORYCGYIGFNF-UWXNHABZSA-N 2 2 338.455 3.066 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188349235 1388294289 /nfs/dbraw/zinc/29/42/89/1388294289.db2.gz KFWORYCGYIGFNF-UWXNHABZSA-N 2 2 338.455 3.066 20 0 EGADLP CCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919938 1375645126 /nfs/dbraw/zinc/64/51/26/1375645126.db2.gz OYNLQWTWQGEMPV-WMZOPIPTSA-N 2 2 348.535 3.191 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132999054 1375703557 /nfs/dbraw/zinc/70/35/57/1375703557.db2.gz WIHIRIQGGNPEQJ-MSOLQXFVSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H](C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001133002364 1375704861 /nfs/dbraw/zinc/70/48/61/1375704861.db2.gz PIJPASMNWWEBJR-GMFYWQHVSA-N 2 2 349.906 3.447 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+](CC2CCCCCC2)CC1)n1cc[nH+]c1 ZINC001229385393 1375824262 /nfs/dbraw/zinc/82/42/62/1375824262.db2.gz SFXDZYFLZANPKW-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001133363860 1375945550 /nfs/dbraw/zinc/94/55/50/1375945550.db2.gz OQZUMQVRFSLJHO-MSOLQXFVSA-N 2 2 348.535 3.174 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629945 1376108227 /nfs/dbraw/zinc/10/82/27/1376108227.db2.gz QYKXYXTXIBCSDX-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629945 1376108231 /nfs/dbraw/zinc/10/82/31/1376108231.db2.gz QYKXYXTXIBCSDX-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP Cc1cc(F)ncc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001231983710 1376372343 /nfs/dbraw/zinc/37/23/43/1376372343.db2.gz BIFGEIRGIBTEKD-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(F)ncc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001231983710 1376372344 /nfs/dbraw/zinc/37/23/44/1376372344.db2.gz BIFGEIRGIBTEKD-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(F)ncc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001231983710 1376372351 /nfs/dbraw/zinc/37/23/51/1376372351.db2.gz BIFGEIRGIBTEKD-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(F)ncc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001231983710 1376372355 /nfs/dbraw/zinc/37/23/55/1376372355.db2.gz BIFGEIRGIBTEKD-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012145 1376382567 /nfs/dbraw/zinc/38/25/67/1376382567.db2.gz TWUZZKZJFCFBAQ-OAHLLOKOSA-N 2 2 338.430 3.408 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012145 1376382573 /nfs/dbraw/zinc/38/25/73/1376382573.db2.gz TWUZZKZJFCFBAQ-OAHLLOKOSA-N 2 2 338.430 3.408 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cnc(-c3cccnc3)o2)C1 ZINC001232138817 1376406201 /nfs/dbraw/zinc/40/62/01/1376406201.db2.gz YOCOOVKUHQPPIY-MRXNPFEDSA-N 2 2 336.395 3.093 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cnc(-c3cccnc3)o2)C1 ZINC001232138817 1376406206 /nfs/dbraw/zinc/40/62/06/1376406206.db2.gz YOCOOVKUHQPPIY-MRXNPFEDSA-N 2 2 336.395 3.093 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232145306 1376409095 /nfs/dbraw/zinc/40/90/95/1376409095.db2.gz OFYUOZCJKBXMGG-STQMWFEESA-N 2 2 348.288 3.314 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227041 1376423394 /nfs/dbraw/zinc/42/33/94/1376423394.db2.gz AHPJYQYNDNOUHA-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CCCC1CCCC1 ZINC001134228117 1376423727 /nfs/dbraw/zinc/42/37/27/1376423727.db2.gz LQTPPBZQQSNXKG-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1C ZINC001134230712 1376425079 /nfs/dbraw/zinc/42/50/79/1376425079.db2.gz YCBGUGVFDXQEDM-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228795 1376425147 /nfs/dbraw/zinc/42/51/47/1376425147.db2.gz QNGZPQXHARFTCI-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235742 1376427035 /nfs/dbraw/zinc/42/70/35/1376427035.db2.gz UEXVOTMHMIRPAV-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001232336984 1376444462 /nfs/dbraw/zinc/44/44/62/1376444462.db2.gz WXIBVPSDBBXPOF-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001232336984 1376444463 /nfs/dbraw/zinc/44/44/63/1376444463.db2.gz WXIBVPSDBBXPOF-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC001232336984 1376444466 /nfs/dbraw/zinc/44/44/66/1376444466.db2.gz WXIBVPSDBBXPOF-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001232336984 1376444468 /nfs/dbraw/zinc/44/44/68/1376444468.db2.gz WXIBVPSDBBXPOF-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COCC[N@H+](Cc1cccc(C)c1OC(C)C)C1CC[NH+](C)CC1 ZINC001232392241 1376453945 /nfs/dbraw/zinc/45/39/45/1376453945.db2.gz RUSIGUDDVUUPAE-UHFFFAOYSA-N 2 2 334.504 3.325 20 0 EGADLP COCC[N@@H+](Cc1cccc(C)c1OC(C)C)C1CC[NH+](C)CC1 ZINC001232392241 1376453948 /nfs/dbraw/zinc/45/39/48/1376453948.db2.gz RUSIGUDDVUUPAE-UHFFFAOYSA-N 2 2 334.504 3.325 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCCF)ccn12 ZINC001134369229 1376497003 /nfs/dbraw/zinc/49/70/03/1376497003.db2.gz IWBJQYGHZKIDIC-LSDHHAIUSA-N 2 2 348.466 3.269 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5ncoc5c4)C[C@H]3C2)c1 ZINC001232941258 1376542963 /nfs/dbraw/zinc/54/29/63/1376542963.db2.gz VRGYDSYLYVYQMV-IYBDPMFKSA-N 2 2 339.464 3.453 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5ncoc5c4)C[C@H]3C2)c1 ZINC001232941258 1376542968 /nfs/dbraw/zinc/54/29/68/1376542968.db2.gz VRGYDSYLYVYQMV-IYBDPMFKSA-N 2 2 339.464 3.453 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5ncoc5c4)C[C@H]3C2)c1 ZINC001232941258 1376542973 /nfs/dbraw/zinc/54/29/73/1376542973.db2.gz VRGYDSYLYVYQMV-IYBDPMFKSA-N 2 2 339.464 3.453 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5ncoc5c4)C[C@H]3C2)c1 ZINC001232941258 1376542974 /nfs/dbraw/zinc/54/29/74/1376542974.db2.gz VRGYDSYLYVYQMV-IYBDPMFKSA-N 2 2 339.464 3.453 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544336 1376583776 /nfs/dbraw/zinc/58/37/76/1376583776.db2.gz FUHFSCPMBWGBPL-HOTGVXAUSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544336 1376583789 /nfs/dbraw/zinc/58/37/89/1376583789.db2.gz FUHFSCPMBWGBPL-HOTGVXAUSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCCCF ZINC001134741428 1376691544 /nfs/dbraw/zinc/69/15/44/1376691544.db2.gz WZESTJHYXNCNHI-KGLIPLIRSA-N 2 2 334.439 3.189 20 0 EGADLP Fc1ccccc1-c1cc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c[nH]1 ZINC001235019630 1376828187 /nfs/dbraw/zinc/82/81/87/1376828187.db2.gz BWOWMEBLWPCSIO-HXUWFJFHSA-N 2 2 343.446 3.023 20 0 EGADLP Fc1ccccc1-c1cc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c[nH]1 ZINC001235019630 1376828193 /nfs/dbraw/zinc/82/81/93/1376828193.db2.gz BWOWMEBLWPCSIO-HXUWFJFHSA-N 2 2 343.446 3.023 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001235031955 1376831682 /nfs/dbraw/zinc/83/16/82/1376831682.db2.gz IFPYIHVREGURFW-QGZVFWFLSA-N 2 2 348.288 3.126 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001235031955 1376831685 /nfs/dbraw/zinc/83/16/85/1376831685.db2.gz IFPYIHVREGURFW-QGZVFWFLSA-N 2 2 348.288 3.126 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3nnc(C)o3)cc2)CC1 ZINC001235053293 1376844176 /nfs/dbraw/zinc/84/41/76/1376844176.db2.gz YLRYDWNPMLZWJM-UHFFFAOYSA-N 2 2 328.460 3.351 20 0 EGADLP c1ccc(Oc2cccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235113826 1376846803 /nfs/dbraw/zinc/84/68/03/1376846803.db2.gz GQKPGIVVVUTSKX-OAQYLSRUSA-N 2 2 338.451 3.433 20 0 EGADLP c1ccc(Oc2cccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235113826 1376846808 /nfs/dbraw/zinc/84/68/08/1376846808.db2.gz GQKPGIVVVUTSKX-OAQYLSRUSA-N 2 2 338.451 3.433 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632111 1376879691 /nfs/dbraw/zinc/87/96/91/1376879691.db2.gz FISFIFDDCMMTEU-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632111 1376879698 /nfs/dbraw/zinc/87/96/98/1376879698.db2.gz FISFIFDDCMMTEU-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001135071727 1376880377 /nfs/dbraw/zinc/88/03/77/1376880377.db2.gz JCOOPLKIXCCJBF-KLAILNCOSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001135071727 1376880396 /nfs/dbraw/zinc/88/03/96/1376880396.db2.gz JCOOPLKIXCCJBF-KLAILNCOSA-N 2 2 348.535 3.147 20 0 EGADLP Fc1c(Cl)cc(CN2CC[NH+](C3CC[NH2+]CC3)CC2)cc1Cl ZINC001235702137 1376883980 /nfs/dbraw/zinc/88/39/80/1376883980.db2.gz KSXNXLZVHLIELS-UHFFFAOYSA-N 2 2 346.277 3.002 20 0 EGADLP COc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c2c(OC)cccc12 ZINC001236206935 1376941338 /nfs/dbraw/zinc/94/13/38/1376941338.db2.gz MBRDNFSFRPBIFM-FQEVSTJZSA-N 2 2 328.456 3.431 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c2c(OC)cccc12 ZINC001236206935 1376941350 /nfs/dbraw/zinc/94/13/50/1376941350.db2.gz MBRDNFSFRPBIFM-FQEVSTJZSA-N 2 2 328.456 3.431 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653662 1376957560 /nfs/dbraw/zinc/95/75/60/1376957560.db2.gz LLSVHTSHUMQSJM-FQEVSTJZSA-N 3 2 333.495 3.384 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653662 1376957565 /nfs/dbraw/zinc/95/75/65/1376957565.db2.gz LLSVHTSHUMQSJM-FQEVSTJZSA-N 3 2 333.495 3.384 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(C)c(Br)c1 ZINC001237564458 1376980588 /nfs/dbraw/zinc/98/05/88/1376980588.db2.gz NFUAHBSOKLEEQG-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(C)c(Br)c1 ZINC001237564458 1376980594 /nfs/dbraw/zinc/98/05/94/1376980594.db2.gz NFUAHBSOKLEEQG-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1-c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001241250477 1377020008 /nfs/dbraw/zinc/02/00/08/1377020008.db2.gz LJHYWJYVBQBVGN-UHFFFAOYSA-N 3 2 338.499 3.294 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798980 1377213715 /nfs/dbraw/zinc/21/37/15/1377213715.db2.gz PPNVQKISDPNMRE-HOTGVXAUSA-N 2 2 342.487 3.149 20 0 EGADLP CC(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840142 1377228475 /nfs/dbraw/zinc/22/84/75/1377228475.db2.gz DBCURLDJVYQOSI-HZPDHXFCSA-N 2 2 328.460 3.015 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364504 1377296845 /nfs/dbraw/zinc/29/68/45/1377296845.db2.gz WZFBFRXQHQONSV-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364504 1377296847 /nfs/dbraw/zinc/29/68/47/1377296847.db2.gz WZFBFRXQHQONSV-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)CC1 ZINC001136987236 1377450312 /nfs/dbraw/zinc/45/03/12/1377450312.db2.gz PHODFFONTDXEEV-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(C(C)C)c4)C[C@@H]3C2)cc1 ZINC001137074705 1377473484 /nfs/dbraw/zinc/47/34/84/1377473484.db2.gz RNXIDELEVWWSDV-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(C(C)C)c4)C[C@@H]3C2)cc1 ZINC001137074705 1377473486 /nfs/dbraw/zinc/47/34/86/1377473486.db2.gz RNXIDELEVWWSDV-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(C(C)C)c4)C[C@@H]3C2)cc1 ZINC001137074705 1377473488 /nfs/dbraw/zinc/47/34/88/1377473488.db2.gz RNXIDELEVWWSDV-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(C(C)C)c4)C[C@@H]3C2)cc1 ZINC001137074705 1377473491 /nfs/dbraw/zinc/47/34/91/1377473491.db2.gz RNXIDELEVWWSDV-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC001137349888 1377529515 /nfs/dbraw/zinc/52/95/15/1377529515.db2.gz SBMQNTFGSZSAEI-ROUUACIJSA-N 2 2 332.451 3.127 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3[nH]c4ccccc4c3C)CC2)c1 ZINC001138401194 1377717746 /nfs/dbraw/zinc/71/77/46/1377717746.db2.gz MAUTZMHTZNPRAK-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP CCCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC001138525400 1377737254 /nfs/dbraw/zinc/73/72/54/1377737254.db2.gz BGIRNSSWIPOZFI-UHFFFAOYSA-N 2 2 330.501 3.430 20 0 EGADLP COc1ccc2c(c1)c(C[N@H+](C(C)C)C1CC[NH+](C)CC1)cn2C ZINC001139149737 1377839010 /nfs/dbraw/zinc/83/90/10/1377839010.db2.gz KYOIJPKRXZYFIG-UHFFFAOYSA-N 2 2 329.488 3.492 20 0 EGADLP COc1ccc2c(c1)c(C[N@@H+](C(C)C)C1CC[NH+](C)CC1)cn2C ZINC001139149737 1377839013 /nfs/dbraw/zinc/83/90/13/1377839013.db2.gz KYOIJPKRXZYFIG-UHFFFAOYSA-N 2 2 329.488 3.492 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC001139150284 1377839638 /nfs/dbraw/zinc/83/96/38/1377839638.db2.gz GXRIALOFGIQCIW-UHFFFAOYSA-N 2 2 329.488 3.493 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360676 1377874229 /nfs/dbraw/zinc/87/42/29/1377874229.db2.gz CKMVXYSCRZCSER-LJQANCHMSA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360676 1377874230 /nfs/dbraw/zinc/87/42/30/1377874230.db2.gz CKMVXYSCRZCSER-LJQANCHMSA-N 2 2 327.428 3.038 20 0 EGADLP C[N@H+](Cc1cc2ccc(Br)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001139471181 1377890571 /nfs/dbraw/zinc/89/05/71/1377890571.db2.gz RVFJIODVMQFOOT-UHFFFAOYSA-N 2 2 336.277 3.456 20 0 EGADLP C[N@@H+](Cc1cc2ccc(Br)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001139471181 1377890572 /nfs/dbraw/zinc/89/05/72/1377890572.db2.gz RVFJIODVMQFOOT-UHFFFAOYSA-N 2 2 336.277 3.456 20 0 EGADLP Clc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001139548729 1377903942 /nfs/dbraw/zinc/90/39/42/1377903942.db2.gz OOSKESLTRBNZAI-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001139548729 1377903943 /nfs/dbraw/zinc/90/39/43/1377903943.db2.gz OOSKESLTRBNZAI-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001139548729 1377903945 /nfs/dbraw/zinc/90/39/45/1377903945.db2.gz OOSKESLTRBNZAI-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001139548729 1377903947 /nfs/dbraw/zinc/90/39/47/1377903947.db2.gz OOSKESLTRBNZAI-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)ccc1Cl ZINC001139615295 1377918232 /nfs/dbraw/zinc/91/82/32/1377918232.db2.gz CBRYTCFYKJHURN-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965870 1377984607 /nfs/dbraw/zinc/98/46/07/1377984607.db2.gz CXRPMIWQRVXHDG-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965870 1377984611 /nfs/dbraw/zinc/98/46/11/1377984611.db2.gz CXRPMIWQRVXHDG-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965870 1377984612 /nfs/dbraw/zinc/98/46/12/1377984612.db2.gz CXRPMIWQRVXHDG-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cccc(Br)c34)C2)C1 ZINC001139965870 1377984615 /nfs/dbraw/zinc/98/46/15/1377984615.db2.gz CXRPMIWQRVXHDG-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP COCC[N@H+](Cc1ccccc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC001140317065 1378044485 /nfs/dbraw/zinc/04/44/85/1378044485.db2.gz BCUIBDFXGMYOLN-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COCC[N@@H+](Cc1ccccc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC001140317065 1378044486 /nfs/dbraw/zinc/04/44/86/1378044486.db2.gz BCUIBDFXGMYOLN-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP Cc1ccc2n[nH]c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001140329935 1378046924 /nfs/dbraw/zinc/04/69/24/1378046924.db2.gz FPOZJMQKGCBVEG-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140591406 1378092798 /nfs/dbraw/zinc/09/27/98/1378092798.db2.gz WWRWAEPLDHVCJF-QZTJIDSGSA-N 2 2 325.431 3.093 20 0 EGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703581 1378151053 /nfs/dbraw/zinc/15/10/53/1378151053.db2.gz WERCURAGRGAREV-INIZCTEOSA-N 2 2 327.394 3.408 20 0 EGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703581 1378151056 /nfs/dbraw/zinc/15/10/56/1378151056.db2.gz WERCURAGRGAREV-INIZCTEOSA-N 2 2 327.394 3.408 20 0 EGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703581 1378151059 /nfs/dbraw/zinc/15/10/59/1378151059.db2.gz WERCURAGRGAREV-INIZCTEOSA-N 2 2 327.394 3.408 20 0 EGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703581 1378151062 /nfs/dbraw/zinc/15/10/62/1378151062.db2.gz WERCURAGRGAREV-INIZCTEOSA-N 2 2 327.394 3.408 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470358 1378174325 /nfs/dbraw/zinc/17/43/25/1378174325.db2.gz MTBNHVLUYKFDNX-APWZRJJASA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@H](C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470358 1378174330 /nfs/dbraw/zinc/17/43/30/1378174330.db2.gz MTBNHVLUYKFDNX-APWZRJJASA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470358 1378174333 /nfs/dbraw/zinc/17/43/33/1378174333.db2.gz MTBNHVLUYKFDNX-APWZRJJASA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470358 1378174335 /nfs/dbraw/zinc/17/43/35/1378174335.db2.gz MTBNHVLUYKFDNX-APWZRJJASA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@@H](C)CC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470155 1378174716 /nfs/dbraw/zinc/17/47/16/1378174716.db2.gz JYDOLZJKFXTBJV-FUHWJXTLSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@@H](C)CC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470155 1378174724 /nfs/dbraw/zinc/17/47/24/1378174724.db2.gz JYDOLZJKFXTBJV-FUHWJXTLSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001276470155 1378174725 /nfs/dbraw/zinc/17/47/25/1378174725.db2.gz JYDOLZJKFXTBJV-FUHWJXTLSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001276470155 1378174727 /nfs/dbraw/zinc/17/47/27/1378174727.db2.gz JYDOLZJKFXTBJV-FUHWJXTLSA-N 2 2 326.550 3.237 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccn5ccnc5c4)C[C@@H]3C2)cc1 ZINC001141048158 1378220233 /nfs/dbraw/zinc/22/02/33/1378220233.db2.gz GMBPKZSIHKRTGM-SFTDATJTSA-N 2 2 346.478 3.207 20 0 EGADLP CCCCc1[nH]c(CN2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c[nH+]1 ZINC001141068238 1378226707 /nfs/dbraw/zinc/22/67/07/1378226707.db2.gz BLKFOIMKZFCKNC-FQEVSTJZSA-N 2 2 348.535 3.075 20 0 EGADLP CCCCc1[nH]c(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c[nH+]1 ZINC001141068238 1378226716 /nfs/dbraw/zinc/22/67/16/1378226716.db2.gz BLKFOIMKZFCKNC-FQEVSTJZSA-N 2 2 348.535 3.075 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[C@@H]1C[N@H+](CCC1CCCC1)C2 ZINC001278212776 1378263853 /nfs/dbraw/zinc/26/38/53/1378263853.db2.gz CXIWDAUOJKESEK-OXQOHEQNSA-N 2 2 338.455 3.175 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[C@@H]1C[N@@H+](CCC1CCCC1)C2 ZINC001278212776 1378263863 /nfs/dbraw/zinc/26/38/63/1378263863.db2.gz CXIWDAUOJKESEK-OXQOHEQNSA-N 2 2 338.455 3.175 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC001142276645 1378427868 /nfs/dbraw/zinc/42/78/68/1378427868.db2.gz AWWMNGJSWPDMFO-QGZVFWFLSA-N 2 2 340.423 3.205 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC001142276645 1378427872 /nfs/dbraw/zinc/42/78/72/1378427872.db2.gz AWWMNGJSWPDMFO-QGZVFWFLSA-N 2 2 340.423 3.205 20 0 EGADLP c1cn2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC001143022438 1378527459 /nfs/dbraw/zinc/52/74/59/1378527459.db2.gz PQKUOCRZWDRYMY-BGYRXZFFSA-N 2 2 332.451 3.183 20 0 EGADLP c1cn2cc(CN3[C@@H]4CC[C@H]3C[N@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC001143022438 1378527466 /nfs/dbraw/zinc/52/74/66/1378527466.db2.gz PQKUOCRZWDRYMY-BGYRXZFFSA-N 2 2 332.451 3.183 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4cccc5n[nH]cc54)C3)C2)c1 ZINC001143092229 1378536926 /nfs/dbraw/zinc/53/69/26/1378536926.db2.gz UCCAWHMXNADQPU-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4cccc5n[nH]cc54)C3)C2)c1 ZINC001143092229 1378536932 /nfs/dbraw/zinc/53/69/32/1378536932.db2.gz UCCAWHMXNADQPU-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2cccc4n[nH]cc42)C3)c1 ZINC001143092229 1378536936 /nfs/dbraw/zinc/53/69/36/1378536936.db2.gz UCCAWHMXNADQPU-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2cccc4n[nH]cc42)C3)c1 ZINC001143092229 1378536939 /nfs/dbraw/zinc/53/69/39/1378536939.db2.gz UCCAWHMXNADQPU-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(OC)c2)CC1 ZINC001143157037 1378549475 /nfs/dbraw/zinc/54/94/75/1378549475.db2.gz WSAJZKQVSWLLLZ-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)cc(OC)c2)CC1 ZINC001143157037 1378549480 /nfs/dbraw/zinc/54/94/80/1378549480.db2.gz WSAJZKQVSWLLLZ-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(F)cc1Br ZINC001144591188 1378749304 /nfs/dbraw/zinc/74/93/04/1378749304.db2.gz UMTMCBBCQHCIIZ-UHFFFAOYSA-N 2 2 341.268 3.424 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712901 1378905313 /nfs/dbraw/zinc/90/53/13/1378905313.db2.gz FZYORRCXRJPJFA-IRXDYDNUSA-N 2 2 334.508 3.117 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787840 1379078746 /nfs/dbraw/zinc/07/87/46/1379078746.db2.gz JTBKWLOXUIZIAD-ONEGZZNKSA-N 2 2 338.455 3.067 20 0 EGADLP CC/C=C/CC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787840 1379078749 /nfs/dbraw/zinc/07/87/49/1379078749.db2.gz JTBKWLOXUIZIAD-ONEGZZNKSA-N 2 2 338.455 3.067 20 0 EGADLP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153929857 1380156776 /nfs/dbraw/zinc/15/67/76/1380156776.db2.gz AGXIBBXIZOAAFR-QZTJIDSGSA-N 2 2 334.508 3.263 20 0 EGADLP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153929857 1380156778 /nfs/dbraw/zinc/15/67/78/1380156778.db2.gz AGXIBBXIZOAAFR-QZTJIDSGSA-N 2 2 334.508 3.263 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994892 1380173303 /nfs/dbraw/zinc/17/33/03/1380173303.db2.gz RNYDJJLESMYJGW-DOOKAGJSSA-N 2 2 334.508 3.110 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994892 1380173304 /nfs/dbraw/zinc/17/33/04/1380173304.db2.gz RNYDJJLESMYJGW-DOOKAGJSSA-N 2 2 334.508 3.110 20 0 EGADLP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005175 1380175600 /nfs/dbraw/zinc/17/56/00/1380175600.db2.gz ZYMQWPCNOCZZNZ-IAGOWNOFSA-N 2 2 349.519 3.142 20 0 EGADLP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005175 1380175604 /nfs/dbraw/zinc/17/56/04/1380175604.db2.gz ZYMQWPCNOCZZNZ-IAGOWNOFSA-N 2 2 349.519 3.142 20 0 EGADLP Cc1cc(Cl)nc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155057475 1380400081 /nfs/dbraw/zinc/40/00/81/1380400081.db2.gz KBJAZVGVXWZLAA-UHFFFAOYSA-N 2 2 326.778 3.305 20 0 EGADLP Clc1ccccc1-c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nn1 ZINC001155058368 1380400779 /nfs/dbraw/zinc/40/07/79/1380400779.db2.gz ZGJUGUZGRACPPG-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP Cc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc(-c2cccs2)n1 ZINC001155064926 1380401690 /nfs/dbraw/zinc/40/16/90/1380401690.db2.gz XXZGGYKBRAUITI-UHFFFAOYSA-N 2 2 325.441 3.166 20 0 EGADLP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155174691 1380419526 /nfs/dbraw/zinc/41/95/26/1380419526.db2.gz IUMWJVUFMRFAPY-WBVHZDCISA-N 2 2 344.503 3.157 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155174691 1380419528 /nfs/dbraw/zinc/41/95/28/1380419528.db2.gz IUMWJVUFMRFAPY-WBVHZDCISA-N 2 2 344.503 3.157 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189421 1380422018 /nfs/dbraw/zinc/42/20/18/1380422018.db2.gz MIPRIOQACMTFGM-HZPDHXFCSA-N 2 2 348.535 3.483 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189421 1380422019 /nfs/dbraw/zinc/42/20/19/1380422019.db2.gz MIPRIOQACMTFGM-HZPDHXFCSA-N 2 2 348.535 3.483 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)nc[nH+]2)C1 ZINC001155553432 1380467744 /nfs/dbraw/zinc/46/77/44/1380467744.db2.gz UCOLMDNJITXTPQ-VPWXQRGCSA-N 2 2 337.471 3.228 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCC[C@H]2CCC[N@H+](C)C2)c1)C1CC1 ZINC001156389377 1380569901 /nfs/dbraw/zinc/56/99/01/1380569901.db2.gz OVNPTRFPZFXUFR-QAPCUYQASA-N 2 2 345.487 3.282 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)c1)C1CC1 ZINC001156389377 1380569904 /nfs/dbraw/zinc/56/99/04/1380569904.db2.gz OVNPTRFPZFXUFR-QAPCUYQASA-N 2 2 345.487 3.282 20 0 EGADLP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677553 1380609439 /nfs/dbraw/zinc/60/94/39/1380609439.db2.gz YSSFRNKJDAWZDV-LXPRWKDFSA-N 2 2 348.535 3.006 20 0 EGADLP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677553 1380609440 /nfs/dbraw/zinc/60/94/40/1380609440.db2.gz YSSFRNKJDAWZDV-LXPRWKDFSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](c1ccccc1Cl)N(C)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157367517 1380855634 /nfs/dbraw/zinc/85/56/34/1380855634.db2.gz HACIEMRQUFUHLT-CQSZACIVSA-N 2 2 330.863 3.342 20 0 EGADLP CCC[NH+]1C[C@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)C[C@@H]2C1 ZINC001157691165 1381003703 /nfs/dbraw/zinc/00/37/03/1381003703.db2.gz HVRVXCAQXAHAMJ-HOTGVXAUSA-N 2 2 325.456 3.330 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107082 1381130306 /nfs/dbraw/zinc/13/03/06/1381130306.db2.gz ASVKMPACDNLOCD-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001158107082 1381130309 /nfs/dbraw/zinc/13/03/09/1381130309.db2.gz ASVKMPACDNLOCD-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP CCN(CC)c1cc(N(C2CCCC2)C2CC[NH+](C)CC2)nc[nH+]1 ZINC001158487719 1381264964 /nfs/dbraw/zinc/26/49/64/1381264964.db2.gz OEFHDNQKQBYBSE-UHFFFAOYSA-N 2 2 331.508 3.166 20 0 EGADLP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653743 1381338533 /nfs/dbraw/zinc/33/85/33/1381338533.db2.gz MDIBNMAWNNGNPT-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653743 1381338537 /nfs/dbraw/zinc/33/85/37/1381338537.db2.gz MDIBNMAWNNGNPT-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158811978 1381412627 /nfs/dbraw/zinc/41/26/27/1381412627.db2.gz WMVZDXILLQEZAR-LJQANCHMSA-N 2 2 348.535 3.246 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158811978 1381412629 /nfs/dbraw/zinc/41/26/29/1381412629.db2.gz WMVZDXILLQEZAR-LJQANCHMSA-N 2 2 348.535 3.246 20 0 EGADLP c1c[nH+]c(-c2ccc(Nc3cccnc3OC3CC[NH2+]CC3)cc2)[nH]1 ZINC001159241863 1381741463 /nfs/dbraw/zinc/74/14/63/1381741463.db2.gz HRRBAXBQVWKKSF-UHFFFAOYSA-N 2 2 335.411 3.346 20 0 EGADLP CCc1cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)ccc1OC ZINC001159261363 1381745993 /nfs/dbraw/zinc/74/59/93/1381745993.db2.gz JCECLBGNBXOEEN-UHFFFAOYSA-N 2 2 326.444 3.324 20 0 EGADLP COc1cc(C)c(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c(C)c1 ZINC001159262308 1381746707 /nfs/dbraw/zinc/74/67/07/1381746707.db2.gz TZKCYPAKOOQFHO-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc4c3CC[NH2+]C4)c2c1 ZINC001159304612 1381758269 /nfs/dbraw/zinc/75/82/69/1381758269.db2.gz ZQSXARQEHBTMDO-UHFFFAOYSA-N 2 2 347.418 3.223 20 0 EGADLP Cc1ccc2c(Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)cccc2[nH+]1 ZINC001159527662 1381817133 /nfs/dbraw/zinc/81/71/33/1381817133.db2.gz FLWYLCGCHBOOJA-UHFFFAOYSA-N 2 2 346.434 3.332 20 0 EGADLP CN(C)c1ccc(Nc2ccc(OCC3CC[NH2+]CC3)c(F)c2)c[nH+]1 ZINC001159880224 1381927289 /nfs/dbraw/zinc/92/72/89/1381927289.db2.gz YRMWILVJGMNBRT-UHFFFAOYSA-N 2 2 344.434 3.409 20 0 EGADLP Cc1cc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cc(C)[nH+]1 ZINC001160350907 1382079675 /nfs/dbraw/zinc/07/96/75/1382079675.db2.gz UZXXOJVEVGXYCQ-QGZVFWFLSA-N 2 2 333.382 3.240 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001160527736 1382132353 /nfs/dbraw/zinc/13/23/53/1382132353.db2.gz ATBXRQMWVKDIFH-QGZVFWFLSA-N 2 2 336.524 3.393 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001160534405 1382134441 /nfs/dbraw/zinc/13/44/41/1382134441.db2.gz KDMDFDGNIVZXCF-GOSISDBHSA-N 2 2 346.519 3.147 20 0 EGADLP CCCCC[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665768 1382164535 /nfs/dbraw/zinc/16/45/35/1382164535.db2.gz GAHPSCOEARLQJT-UHFFFAOYSA-N 2 2 340.471 3.277 20 0 EGADLP CCCCC[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665768 1382164537 /nfs/dbraw/zinc/16/45/37/1382164537.db2.gz GAHPSCOEARLQJT-UHFFFAOYSA-N 2 2 340.471 3.277 20 0 EGADLP CCc1ccccc1C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160984395 1382261420 /nfs/dbraw/zinc/26/14/20/1382261420.db2.gz NKMJIMUJGDJSNB-UHFFFAOYSA-N 2 2 336.439 3.035 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001293354012 1382276067 /nfs/dbraw/zinc/27/60/67/1382276067.db2.gz WUTBVOMMXZKYIG-INIZCTEOSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001293354012 1382276072 /nfs/dbraw/zinc/27/60/72/1382276072.db2.gz WUTBVOMMXZKYIG-INIZCTEOSA-N 2 2 342.487 3.273 20 0 EGADLP CCC[N@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627770 1382464568 /nfs/dbraw/zinc/46/45/68/1382464568.db2.gz TVWVTULKWWJOBJ-UHFFFAOYSA-N 2 2 338.455 3.034 20 0 EGADLP CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627770 1382464570 /nfs/dbraw/zinc/46/45/70/1382464570.db2.gz TVWVTULKWWJOBJ-UHFFFAOYSA-N 2 2 338.455 3.034 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161785826 1382506106 /nfs/dbraw/zinc/50/61/06/1382506106.db2.gz SZWZCDDAYIIJOE-INIZCTEOSA-N 2 2 346.519 3.081 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001161785826 1382506111 /nfs/dbraw/zinc/50/61/11/1382506111.db2.gz SZWZCDDAYIIJOE-INIZCTEOSA-N 2 2 346.519 3.081 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994102 1382592090 /nfs/dbraw/zinc/59/20/90/1382592090.db2.gz UADXOBYTLOXFOD-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994102 1382592094 /nfs/dbraw/zinc/59/20/94/1382592094.db2.gz UADXOBYTLOXFOD-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP COc1cc[nH+]c(C(C)(C)CNc2nc(N3CCCC3)cc(C)[nH+]2)c1 ZINC001162127887 1382633273 /nfs/dbraw/zinc/63/32/73/1382633273.db2.gz ADUYBDRAQGSJTE-UHFFFAOYSA-N 2 2 341.459 3.179 20 0 EGADLP CC(C)[PH+](CCNc1nc(N2CCC([NH3+])CC2)cc[nH+]1)C(C)C ZINC001162361986 1382740726 /nfs/dbraw/zinc/74/07/26/1382740726.db2.gz OOAQRYVPSINXJX-UHFFFAOYSA-N 3 2 337.452 3.115 20 0 EGADLP COc1ccc2c(cc[nH+]c2N[C@H](C[NH+]2CCOCC2)C(C)(C)C)c1 ZINC001162875610 1382901453 /nfs/dbraw/zinc/90/14/53/1382901453.db2.gz IDQGDWAVWQZMJD-GOSISDBHSA-N 2 2 343.471 3.402 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+][C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001162909811 1382912195 /nfs/dbraw/zinc/91/21/95/1382912195.db2.gz FKGXPRNRJXIUDU-IBGZPJMESA-N 2 2 337.467 3.404 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2F)c(C)[nH+]1 ZINC001162910325 1382913416 /nfs/dbraw/zinc/91/34/16/1382913416.db2.gz KWXFEVQGJZSKHW-UHFFFAOYSA-N 2 2 329.419 3.056 20 0 EGADLP c1ccc(-c2[nH]c3ccc(N[C@H]4COCCC45C[NH2+]C5)cc3[nH+]2)cc1 ZINC001163078820 1382961142 /nfs/dbraw/zinc/96/11/42/1382961142.db2.gz HEQSPCIIXROALL-SFHVURJKSA-N 2 2 334.423 3.020 20 0 EGADLP CCCc1cc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001165089857 1383226110 /nfs/dbraw/zinc/22/61/10/1383226110.db2.gz VEQBNKZOZJYQCA-ICSRJNTNSA-N 2 2 336.483 3.448 20 0 EGADLP CCCc1cc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC001165089857 1383226112 /nfs/dbraw/zinc/22/61/12/1383226112.db2.gz VEQBNKZOZJYQCA-ICSRJNTNSA-N 2 2 336.483 3.448 20 0 EGADLP Cc1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC001165269459 1383262628 /nfs/dbraw/zinc/26/26/28/1383262628.db2.gz HQAGGBULMADERA-OAHLLOKOSA-N 2 2 340.393 3.173 20 0 EGADLP Cc1[nH+]c2c(n1-c1c(Cl)ccc3c(Cl)ncnc31)CC[NH2+]CC2 ZINC001165355832 1383280747 /nfs/dbraw/zinc/28/07/47/1383280747.db2.gz JKGOYHWLCRYKBV-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)cc3cccc(C)c31)CC[NH2+]CC2 ZINC001165355217 1383281276 /nfs/dbraw/zinc/28/12/76/1383281276.db2.gz CJEIPDCBDGBSPI-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP c1ccc(C[NH+]2CC(CNc3[nH+]cnc4[nH]c5c(c43)CCCC5)C2)cc1 ZINC001165427098 1383293914 /nfs/dbraw/zinc/29/39/14/1383293914.db2.gz JFMPIQLQLMNGIJ-UHFFFAOYSA-N 2 2 347.466 3.381 20 0 EGADLP CN(C)c1nc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]c2ccccc21 ZINC001165427023 1383294052 /nfs/dbraw/zinc/29/40/52/1383294052.db2.gz HTOXEORRMNBLRW-UHFFFAOYSA-N 2 2 347.466 3.240 20 0 EGADLP CCCc1cc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc(C)[nH+]1 ZINC001165668718 1383321712 /nfs/dbraw/zinc/32/17/12/1383321712.db2.gz CQNKHNJQDQIUCT-KRWDZBQOSA-N 2 2 346.519 3.254 20 0 EGADLP CC(C)CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165749739 1383338919 /nfs/dbraw/zinc/33/89/19/1383338919.db2.gz IPPIMLLPRYKAGJ-UHFFFAOYSA-N 2 2 328.460 3.099 20 0 EGADLP [NH3+]Cc1cnc2c(ccn2-c2cc[nH+]c(C3(C(F)(F)F)CC3)c2)c1 ZINC001167314203 1383594023 /nfs/dbraw/zinc/59/40/23/1383594023.db2.gz UCQDPWQTYVFGBU-UHFFFAOYSA-N 2 2 332.329 3.473 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001167429329 1383631634 /nfs/dbraw/zinc/63/16/34/1383631634.db2.gz RVFOVTBJMANNJI-MAUKXSAKSA-N 2 2 346.450 3.221 20 0 EGADLP CC1(C)CC([NH3+])CC(C)(C)N1c1cc[nH+]c(OC2CCOCC2)c1 ZINC001167626246 1383692921 /nfs/dbraw/zinc/69/29/21/1383692921.db2.gz AZFRPTKHUPXEJM-UHFFFAOYSA-N 2 2 333.476 3.124 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001167754782 1383732630 /nfs/dbraw/zinc/73/26/30/1383732630.db2.gz VHPSRSFGHOQTNM-MRXNPFEDSA-N 2 2 333.476 3.316 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001167754782 1383732634 /nfs/dbraw/zinc/73/26/34/1383732634.db2.gz VHPSRSFGHOQTNM-MRXNPFEDSA-N 2 2 333.476 3.316 20 0 EGADLP CCC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCCCC1 ZINC001302316825 1383747754 /nfs/dbraw/zinc/74/77/54/1383747754.db2.gz KMXPDUDTKVYHLF-UHFFFAOYSA-N 2 2 330.476 3.132 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001167825251 1383750446 /nfs/dbraw/zinc/75/04/46/1383750446.db2.gz IOSAMMGXEZECFB-ZDUSSCGKSA-N 2 2 332.414 3.228 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001167825251 1383750447 /nfs/dbraw/zinc/75/04/47/1383750447.db2.gz IOSAMMGXEZECFB-ZDUSSCGKSA-N 2 2 332.414 3.228 20 0 EGADLP C[C@@H]1CC([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168060717 1383807546 /nfs/dbraw/zinc/80/75/46/1383807546.db2.gz XXWSVLOUJXOLIL-RMEPHLEKSA-N 3 2 341.543 3.312 20 0 EGADLP C[C@@H]1CC([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168060717 1383807550 /nfs/dbraw/zinc/80/75/50/1383807550.db2.gz XXWSVLOUJXOLIL-RMEPHLEKSA-N 3 2 341.543 3.312 20 0 EGADLP C[C@@H]1CC(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168060717 1383807553 /nfs/dbraw/zinc/80/75/53/1383807553.db2.gz XXWSVLOUJXOLIL-RMEPHLEKSA-N 2 2 341.543 3.312 20 0 EGADLP CC1CCC(N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001168215366 1383845689 /nfs/dbraw/zinc/84/56/89/1383845689.db2.gz PMOIYGXRMCHCJM-DAWZGUTISA-N 2 2 329.488 3.378 20 0 EGADLP CCC/C=C/CC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363903 1383883501 /nfs/dbraw/zinc/88/35/01/1383883501.db2.gz WOHMUXIOUOVHQO-AATRIKPKSA-N 2 2 342.487 3.028 20 0 EGADLP O=C(C[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1ccc2ccccc2c1 ZINC001168365922 1383884549 /nfs/dbraw/zinc/88/45/49/1383884549.db2.gz FZQTZENWOKYRSF-UHFFFAOYSA-N 2 2 337.467 3.242 20 0 EGADLP Cc1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c(C)c1 ZINC001168387407 1383892157 /nfs/dbraw/zinc/89/21/57/1383892157.db2.gz HOSPHTAQGULPBJ-UHFFFAOYSA-N 2 2 327.516 3.300 20 0 EGADLP COC1CC[NH+](C2CC[NH+]([C@H](C)Cc3cccc(F)c3)CC2)CC1 ZINC001168502380 1383925753 /nfs/dbraw/zinc/92/57/53/1383925753.db2.gz ZTDAYPBUOQYIPX-MRXNPFEDSA-N 2 2 334.479 3.332 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)CCO2)cc1 ZINC001168664695 1383964235 /nfs/dbraw/zinc/96/42/35/1383964235.db2.gz JDMCBICREILNOX-ICSRJNTNSA-N 2 2 341.455 3.449 20 0 EGADLP CC(C)(C)OC(=O)Nc1cc(-n2cnc3ccc(C[NH3+])cc32)cc[nH+]1 ZINC001168844445 1384031189 /nfs/dbraw/zinc/03/11/89/1384031189.db2.gz MBQJQMNHGIJYPM-UHFFFAOYSA-N 2 2 339.399 3.226 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001169080413 1384103927 /nfs/dbraw/zinc/10/39/27/1384103927.db2.gz NFXXVCPZCDPJLD-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)cc1F)C2 ZINC001169080413 1384103929 /nfs/dbraw/zinc/10/39/29/1384103929.db2.gz NFXXVCPZCDPJLD-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccc(F)cc3F)CC1)C2 ZINC001169148079 1384114832 /nfs/dbraw/zinc/11/48/32/1384114832.db2.gz XZYSGSZIFQRPMV-FVQHAEBGSA-N 2 2 348.437 3.485 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccc(F)cc3F)CC1)C2 ZINC001169148079 1384114833 /nfs/dbraw/zinc/11/48/33/1384114833.db2.gz XZYSGSZIFQRPMV-FVQHAEBGSA-N 2 2 348.437 3.485 20 0 EGADLP CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151427 1384115544 /nfs/dbraw/zinc/11/55/44/1384115544.db2.gz JNAJEVCOHCVVDT-LMNJBCLMSA-N 3 2 344.547 3.175 20 0 EGADLP CC1(C)C[C@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151427 1384115545 /nfs/dbraw/zinc/11/55/45/1384115545.db2.gz JNAJEVCOHCVVDT-LMNJBCLMSA-N 3 2 344.547 3.175 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001169211881 1384123054 /nfs/dbraw/zinc/12/30/54/1384123054.db2.gz LTMPMPQIQAXMAN-HNNXBMFYSA-N 2 2 342.487 3.107 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001169261223 1384128694 /nfs/dbraw/zinc/12/86/94/1384128694.db2.gz FMRWHNFNGYOKPP-PKOBYXMFSA-N 2 2 330.472 3.097 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001169261223 1384128696 /nfs/dbraw/zinc/12/86/96/1384128696.db2.gz FMRWHNFNGYOKPP-PKOBYXMFSA-N 2 2 330.472 3.097 20 0 EGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747593 1384182129 /nfs/dbraw/zinc/18/21/29/1384182129.db2.gz ZETBAZFNKDMVMU-MOPGFXCFSA-N 2 2 343.515 3.001 20 0 EGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747593 1384182130 /nfs/dbraw/zinc/18/21/30/1384182130.db2.gz ZETBAZFNKDMVMU-MOPGFXCFSA-N 2 2 343.515 3.001 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)cs1 ZINC001170482561 1384328008 /nfs/dbraw/zinc/32/80/08/1384328008.db2.gz FUSAVLSHFUSDLL-CQSZACIVSA-N 2 2 348.516 3.177 20 0 EGADLP COc1[nH+]cc2cc[nH]c2c1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170627265 1384353370 /nfs/dbraw/zinc/35/33/70/1384353370.db2.gz OHSUKLFESLGFPK-UHFFFAOYSA-N 2 2 340.471 3.305 20 0 EGADLP Fc1cc(F)c2c(c1)CC[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001170715629 1384372527 /nfs/dbraw/zinc/37/25/27/1384372527.db2.gz MJBSEDQYDHMWCR-KRWDZBQOSA-N 2 2 343.421 3.476 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754174 1384380279 /nfs/dbraw/zinc/38/02/79/1384380279.db2.gz UCTBPIQCDNWTPZ-IVDHNXQLSA-N 2 2 325.500 3.270 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754174 1384380282 /nfs/dbraw/zinc/38/02/82/1384380282.db2.gz UCTBPIQCDNWTPZ-IVDHNXQLSA-N 2 2 325.500 3.270 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754174 1384380286 /nfs/dbraw/zinc/38/02/86/1384380286.db2.gz UCTBPIQCDNWTPZ-IVDHNXQLSA-N 2 2 325.500 3.270 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754174 1384380290 /nfs/dbraw/zinc/38/02/90/1384380290.db2.gz UCTBPIQCDNWTPZ-IVDHNXQLSA-N 2 2 325.500 3.270 20 0 EGADLP Cc1[nH+]cn([C@H]2CCc3c(F)cc(F)cc3C2)c1CSCC[NH3+] ZINC001171345714 1384498117 /nfs/dbraw/zinc/49/81/17/1384498117.db2.gz MJMQRHGDUQTYPX-AWEZNQCLSA-N 2 2 337.439 3.392 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360490 1384501633 /nfs/dbraw/zinc/50/16/33/1384501633.db2.gz ZWVFSAMXWCVVFB-BRWVUGGUSA-N 2 2 334.508 3.358 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360490 1384501634 /nfs/dbraw/zinc/50/16/34/1384501634.db2.gz ZWVFSAMXWCVVFB-BRWVUGGUSA-N 2 2 334.508 3.358 20 0 EGADLP Fc1cccc2c1CC[C@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)C2 ZINC001171446545 1384526455 /nfs/dbraw/zinc/52/64/55/1384526455.db2.gz RRULXJWIHLDRED-INIZCTEOSA-N 2 2 343.421 3.476 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527444 1384551886 /nfs/dbraw/zinc/55/18/86/1384551886.db2.gz NPEXJBLAYMDAIH-CQSZACIVSA-N 2 2 328.460 3.241 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605978 1384577764 /nfs/dbraw/zinc/57/77/64/1384577764.db2.gz RZZVIBXAGVCDNL-IAGOWNOFSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171732434 1384617989 /nfs/dbraw/zinc/61/79/89/1384617989.db2.gz AINPHKQRZLKPOK-MLZLACJZSA-N 2 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171732434 1384617993 /nfs/dbraw/zinc/61/79/93/1384617993.db2.gz AINPHKQRZLKPOK-MLZLACJZSA-N 2 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC001171732589 1384618530 /nfs/dbraw/zinc/61/85/30/1384618530.db2.gz CRIWNUFLTWMIHM-UTKZUKDTSA-N 2 2 327.516 3.113 20 0 EGADLP Cc1nccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001172072761 1384719171 /nfs/dbraw/zinc/71/91/71/1384719171.db2.gz MWRSWMHOTRRGPC-MZADTFQBSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1nccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001172072761 1384719174 /nfs/dbraw/zinc/71/91/74/1384719174.db2.gz MWRSWMHOTRRGPC-MZADTFQBSA-N 2 2 336.483 3.460 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](C/C=C/c3ccccc3)CC1)C2 ZINC001172109474 1384729383 /nfs/dbraw/zinc/72/93/83/1384729383.db2.gz DICWYWUPMDLOEA-STBCGMFKSA-N 2 2 339.527 3.333 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](C/C=C/c3ccccc3)CC1)C2 ZINC001172109474 1384729389 /nfs/dbraw/zinc/72/93/89/1384729389.db2.gz DICWYWUPMDLOEA-STBCGMFKSA-N 2 2 339.527 3.333 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)co2)cc1 ZINC001172117544 1384732490 /nfs/dbraw/zinc/73/24/90/1384732490.db2.gz MFAFDYGAUGRTCU-VBUUOAMHSA-N 2 2 341.455 3.455 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)co2)cc1 ZINC001172117544 1384732494 /nfs/dbraw/zinc/73/24/94/1384732494.db2.gz MFAFDYGAUGRTCU-VBUUOAMHSA-N 2 2 341.455 3.455 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120131 1384732608 /nfs/dbraw/zinc/73/26/08/1384732608.db2.gz CWILXOFGLKFJQC-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120131 1384732613 /nfs/dbraw/zinc/73/26/13/1384732613.db2.gz CWILXOFGLKFJQC-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120131 1384732624 /nfs/dbraw/zinc/73/26/24/1384732624.db2.gz CWILXOFGLKFJQC-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120131 1384732628 /nfs/dbraw/zinc/73/26/28/1384732628.db2.gz CWILXOFGLKFJQC-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC001172162144 1384740858 /nfs/dbraw/zinc/74/08/58/1384740858.db2.gz GTGZQEYYPIJQNM-XMGTWHOFSA-N 2 2 349.478 3.171 20 0 EGADLP c1ccc(N2CCC([NH2+][C@@H]3CSc4ccccc4C3)CC2)[nH+]c1 ZINC001172195700 1384745388 /nfs/dbraw/zinc/74/53/88/1384745388.db2.gz GPSHGKYQJPNYJE-KRWDZBQOSA-N 2 2 325.481 3.357 20 0 EGADLP CCCC[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172630265 1384822554 /nfs/dbraw/zinc/82/25/54/1384822554.db2.gz BKAZLIBTUHXHAN-GVDBMIGSSA-N 2 2 341.540 3.484 20 0 EGADLP CCCC[C@@H](CC(C)C)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001173260492 1384946093 /nfs/dbraw/zinc/94/60/93/1384946093.db2.gz LSIHXAIOCCOVBJ-KRWDZBQOSA-N 2 2 344.507 3.334 20 0 EGADLP CCCC[C@@H](CC(C)C)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001173260492 1384946101 /nfs/dbraw/zinc/94/61/01/1384946101.db2.gz LSIHXAIOCCOVBJ-KRWDZBQOSA-N 2 2 344.507 3.334 20 0 EGADLP CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001173260870 1384946322 /nfs/dbraw/zinc/94/63/22/1384946322.db2.gz OUPSQEDTUSUOJS-PKOBYXMFSA-N 2 2 332.488 3.066 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173410167 1384966922 /nfs/dbraw/zinc/96/69/22/1384966922.db2.gz AXJWFOQVVLAVCG-GOSISDBHSA-N 2 2 349.906 3.017 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173410167 1384966924 /nfs/dbraw/zinc/96/69/24/1384966924.db2.gz AXJWFOQVVLAVCG-GOSISDBHSA-N 2 2 349.906 3.017 20 0 EGADLP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001173781637 1385015902 /nfs/dbraw/zinc/01/59/02/1385015902.db2.gz PVLDGPFJJSMCSX-NKELODKYSA-N 2 2 330.472 3.322 20 0 EGADLP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001173781637 1385015908 /nfs/dbraw/zinc/01/59/08/1385015908.db2.gz PVLDGPFJJSMCSX-NKELODKYSA-N 2 2 330.472 3.322 20 0 EGADLP C[NH+]1CCN(c2ccc(F)cc2Nc2cc[nH+]c3ccccc23)CC1 ZINC001174038983 1385048736 /nfs/dbraw/zinc/04/87/36/1385048736.db2.gz VOFLCLZVBAHZLX-UHFFFAOYSA-N 2 2 336.414 3.291 20 0 EGADLP C[NH+]1CCN(c2c(F)cccc2Nc2cc[nH+]c3ccccc23)CC1 ZINC001174038960 1385049423 /nfs/dbraw/zinc/04/94/23/1385049423.db2.gz HJZMRDXCPQCLGX-UHFFFAOYSA-N 2 2 336.414 3.291 20 0 EGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2[nH+]ccn2c1 ZINC001174276860 1385090145 /nfs/dbraw/zinc/09/01/45/1385090145.db2.gz TVQSEVJGGXMWJQ-UHFFFAOYSA-N 2 2 334.383 3.230 20 0 EGADLP FC(F)(F)c1c[nH+]ccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174443889 1385109849 /nfs/dbraw/zinc/10/98/49/1385109849.db2.gz JDXIZTGYJVAREY-UHFFFAOYSA-N 2 2 337.345 3.098 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001174691397 1385134796 /nfs/dbraw/zinc/13/47/96/1385134796.db2.gz KGXRCUXZSJQMKD-INIZCTEOSA-N 2 2 348.878 3.161 20 0 EGADLP C[N@H+](CCCC1CCC1)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317454707 1385153569 /nfs/dbraw/zinc/15/35/69/1385153569.db2.gz REQFPAVDGMHWOP-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP C[N@@H+](CCCC1CCC1)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001317454707 1385153571 /nfs/dbraw/zinc/15/35/71/1385153571.db2.gz REQFPAVDGMHWOP-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175504074 1385314265 /nfs/dbraw/zinc/31/42/65/1385314265.db2.gz XUOKKQFQODYNFR-SJORKVTESA-N 2 2 340.487 3.239 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638762 1385360138 /nfs/dbraw/zinc/36/01/38/1385360138.db2.gz TUOVSEDVGHPMNC-HZPDHXFCSA-N 2 2 336.524 3.289 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638762 1385360144 /nfs/dbraw/zinc/36/01/44/1385360144.db2.gz TUOVSEDVGHPMNC-HZPDHXFCSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175646210 1385362988 /nfs/dbraw/zinc/36/29/88/1385362988.db2.gz ZXWAPXCJHVKGRE-IAGOWNOFSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175646210 1385362993 /nfs/dbraw/zinc/36/29/93/1385362993.db2.gz ZXWAPXCJHVKGRE-IAGOWNOFSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001175646212 1385363089 /nfs/dbraw/zinc/36/30/89/1385363089.db2.gz ZXWAPXCJHVKGRE-SJORKVTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001175646212 1385363095 /nfs/dbraw/zinc/36/30/95/1385363095.db2.gz ZXWAPXCJHVKGRE-SJORKVTESA-N 2 2 348.535 3.433 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175872887 1385426820 /nfs/dbraw/zinc/42/68/20/1385426820.db2.gz IFKCQHCXJIQJPC-DLBZAZTESA-N 2 2 342.487 3.286 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2ccccc2n1 ZINC001318593276 1385778491 /nfs/dbraw/zinc/77/84/91/1385778491.db2.gz KGMDOAPTQSKAAI-UHFFFAOYSA-N 2 2 329.363 3.376 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177300670 1385902851 /nfs/dbraw/zinc/90/28/51/1385902851.db2.gz LBNMXWYLTLWDNG-UHFFFAOYSA-N 2 2 334.508 3.141 20 0 EGADLP CC(C)CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448367 1385959649 /nfs/dbraw/zinc/95/96/49/1385959649.db2.gz LBEDYPOPGGIBJA-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1C ZINC001319608534 1386207571 /nfs/dbraw/zinc/20/75/71/1386207571.db2.gz RBDZAXNZVQDOCH-HNNXBMFYSA-N 2 2 343.427 3.155 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1C ZINC001319608534 1386207575 /nfs/dbraw/zinc/20/75/75/1386207575.db2.gz RBDZAXNZVQDOCH-HNNXBMFYSA-N 2 2 343.427 3.155 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)[nH+]1 ZINC001319702172 1386260636 /nfs/dbraw/zinc/26/06/36/1386260636.db2.gz OSXSKKBXHPLZPY-QGZVFWFLSA-N 2 2 339.439 3.238 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)[nH+]1 ZINC001319702172 1386260639 /nfs/dbraw/zinc/26/06/39/1386260639.db2.gz OSXSKKBXHPLZPY-QGZVFWFLSA-N 2 2 339.439 3.238 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc3c(s2)CCC3)[nH+]1 ZINC001319814733 1386311228 /nfs/dbraw/zinc/31/12/28/1386311228.db2.gz VSCCFPWLNUIZFX-CQSZACIVSA-N 2 2 328.485 3.412 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nc3c(s2)CCC3)[nH+]1 ZINC001319814733 1386311232 /nfs/dbraw/zinc/31/12/32/1386311232.db2.gz VSCCFPWLNUIZFX-CQSZACIVSA-N 2 2 328.485 3.412 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179176022 1386417892 /nfs/dbraw/zinc/41/78/92/1386417892.db2.gz HQEKFSKWZBXMTP-UHFFFAOYSA-N 2 2 332.492 3.040 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176248 1386418158 /nfs/dbraw/zinc/41/81/58/1386418158.db2.gz ODPOXIOWESMCPI-GOSISDBHSA-N 2 2 336.524 3.222 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179245022 1386430811 /nfs/dbraw/zinc/43/08/11/1386430811.db2.gz LQBBDHNODYINMH-LPHOPBHVSA-N 2 2 338.455 3.031 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC001320228364 1386560890 /nfs/dbraw/zinc/56/08/90/1386560890.db2.gz SBOBJOPVYUVVIS-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC001320228364 1386560891 /nfs/dbraw/zinc/56/08/91/1386560891.db2.gz SBOBJOPVYUVVIS-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP CC(C)CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC001179985111 1386658383 /nfs/dbraw/zinc/65/83/83/1386658383.db2.gz XHUKQZBTUCLAIY-UHFFFAOYSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC001179985111 1386658387 /nfs/dbraw/zinc/65/83/87/1386658387.db2.gz XHUKQZBTUCLAIY-UHFFFAOYSA-N 2 2 346.515 3.408 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001180179400 1386722601 /nfs/dbraw/zinc/72/26/01/1386722601.db2.gz UAHJMGSACDAEMB-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP CC[C@H]1C[C@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCO1 ZINC001320840692 1386734511 /nfs/dbraw/zinc/73/45/11/1386734511.db2.gz UNDOHKTWYMCWRI-CABCVRRESA-N 2 2 328.416 3.110 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001322522069 1387200383 /nfs/dbraw/zinc/20/03/83/1387200383.db2.gz RVZHEDRBSRBFEP-GOSISDBHSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC001322845625 1387245651 /nfs/dbraw/zinc/24/56/51/1387245651.db2.gz INCQHHWWLDRGNU-UHFFFAOYSA-N 2 2 345.362 3.483 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)c(C)s1 ZINC001322892646 1387252072 /nfs/dbraw/zinc/25/20/72/1387252072.db2.gz HPVPUIJGUWDYLJ-CQSZACIVSA-N 2 2 344.528 3.363 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001698713300 1406355384 /nfs/dbraw/zinc/35/53/84/1406355384.db2.gz USXLFRXJHJLJMH-KBAYOESNSA-N 2 2 334.508 3.287 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC001338418231 1389679834 /nfs/dbraw/zinc/67/98/34/1389679834.db2.gz LBKNYLKNKMMYEH-PMACEKPBSA-N 2 2 335.451 3.336 20 0 EGADLP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001340138378 1390234665 /nfs/dbraw/zinc/23/46/65/1390234665.db2.gz GJQFNIWEHJQRND-KCQAQPDRSA-N 2 2 338.521 3.077 20 0 EGADLP C[N@H+](Cc1ccc(OC(F)F)cc1OC(F)F)C1CC[NH2+]CC1 ZINC001345944282 1390896383 /nfs/dbraw/zinc/89/63/83/1390896383.db2.gz QPIDWYXLTZSGRX-UHFFFAOYSA-N 2 2 336.329 3.073 20 0 EGADLP C[N@@H+](Cc1ccc(OC(F)F)cc1OC(F)F)C1CC[NH2+]CC1 ZINC001345944282 1390896385 /nfs/dbraw/zinc/89/63/85/1390896385.db2.gz QPIDWYXLTZSGRX-UHFFFAOYSA-N 2 2 336.329 3.073 20 0 EGADLP Cc1cc(F)cc(NCc2ccccc2C[NH+]2CCC(O)CC2)[nH+]1 ZINC001354120175 1392121337 /nfs/dbraw/zinc/12/13/37/1392121337.db2.gz OWIPFRYNWUMHET-UHFFFAOYSA-N 2 2 329.419 3.098 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374732 1392718013 /nfs/dbraw/zinc/71/80/13/1392718013.db2.gz WPDHQKCWQQTNMJ-RTBURBONSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374732 1392718018 /nfs/dbraw/zinc/71/80/18/1392718018.db2.gz WPDHQKCWQQTNMJ-RTBURBONSA-N 2 2 346.519 3.165 20 0 EGADLP CC[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001481237442 1393152146 /nfs/dbraw/zinc/15/21/46/1393152146.db2.gz IJCIBZIEHGJLJY-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001481237442 1393152147 /nfs/dbraw/zinc/15/21/47/1393152147.db2.gz IJCIBZIEHGJLJY-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@H+](C)CC(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001481596809 1394416997 /nfs/dbraw/zinc/41/69/97/1394416997.db2.gz CYQQORSRAFJLSU-INIZCTEOSA-N 2 2 345.531 3.187 20 0 EGADLP CCC[N@@H+](C)CC(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC001481596809 1394416998 /nfs/dbraw/zinc/41/69/98/1394416998.db2.gz CYQQORSRAFJLSU-INIZCTEOSA-N 2 2 345.531 3.187 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001482232157 1394827043 /nfs/dbraw/zinc/82/70/43/1394827043.db2.gz BXWNQJZSJQCELI-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001482232157 1394827048 /nfs/dbraw/zinc/82/70/48/1394827048.db2.gz BXWNQJZSJQCELI-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001485949895 1396172688 /nfs/dbraw/zinc/17/26/88/1396172688.db2.gz VISSXKDAORVFGL-QWHCGFSZSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001503290875 1396250056 /nfs/dbraw/zinc/25/00/56/1396250056.db2.gz UEORLYKBONPAMI-HNNXBMFYSA-N 2 2 336.439 3.170 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047713 1404960347 /nfs/dbraw/zinc/96/03/47/1404960347.db2.gz FHOBDJIRHOLMPA-WBVHZDCISA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047713 1404960348 /nfs/dbraw/zinc/96/03/48/1404960348.db2.gz FHOBDJIRHOLMPA-WBVHZDCISA-N 2 2 342.487 3.391 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]C/C=C\Cl ZINC001699608232 1412972070 /nfs/dbraw/zinc/97/20/70/1412972070.db2.gz VBDMYHSXYNJDQB-DFCLBCNGSA-N 2 2 346.862 3.146 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001699825924 1413250932 /nfs/dbraw/zinc/25/09/32/1413250932.db2.gz YBJVIFOKAJCZHN-FQEVSTJZSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001699825924 1413250935 /nfs/dbraw/zinc/25/09/35/1413250935.db2.gz YBJVIFOKAJCZHN-FQEVSTJZSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C[NH2+]CC(C)C)CC3)ccn12 ZINC001700097211 1413513355 /nfs/dbraw/zinc/51/33/55/1413513355.db2.gz CSNPAZVSBKVPML-SAABIXHNSA-N 2 2 342.487 3.177 20 0 EGADLP CC1(C)C[N@H+](CCC2CCCC2)CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001700290133 1413740064 /nfs/dbraw/zinc/74/00/64/1413740064.db2.gz HQYDTMIFKCCOBR-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[N@@H+](CCC2CCCC2)CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001700290133 1413740067 /nfs/dbraw/zinc/74/00/67/1413740067.db2.gz HQYDTMIFKCCOBR-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700461485 1414061493 /nfs/dbraw/zinc/06/14/93/1414061493.db2.gz QBSKBAZYYFJUDC-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700461485 1414061499 /nfs/dbraw/zinc/06/14/99/1414061499.db2.gz QBSKBAZYYFJUDC-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700461485 1414061504 /nfs/dbraw/zinc/06/15/04/1414061504.db2.gz QBSKBAZYYFJUDC-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700461485 1414061510 /nfs/dbraw/zinc/06/15/10/1414061510.db2.gz QBSKBAZYYFJUDC-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC001700621292 1414291758 /nfs/dbraw/zinc/29/17/58/1414291758.db2.gz PUMVRGDHRWWXBM-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@@H+](CCCC(C)(C)C)C2 ZINC001700621292 1414291761 /nfs/dbraw/zinc/29/17/61/1414291761.db2.gz PUMVRGDHRWWXBM-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001732956364 1429079741 /nfs/dbraw/zinc/07/97/41/1429079741.db2.gz FJRBWTMWHKRRTG-KLAILNCOSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001732956364 1429079746 /nfs/dbraw/zinc/07/97/46/1429079746.db2.gz FJRBWTMWHKRRTG-KLAILNCOSA-N 2 2 348.535 3.289 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001713218202 1417798055 /nfs/dbraw/zinc/79/80/55/1417798055.db2.gz PRVSJFKYRAIJDK-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001713218202 1417798056 /nfs/dbraw/zinc/79/80/56/1417798056.db2.gz PRVSJFKYRAIJDK-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001713315437 1417941053 /nfs/dbraw/zinc/94/10/53/1417941053.db2.gz WEQSAGPATDVABP-JKSUJKDBSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001713315437 1417941055 /nfs/dbraw/zinc/94/10/55/1417941055.db2.gz WEQSAGPATDVABP-JKSUJKDBSA-N 2 2 342.487 3.321 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NC1C[NH+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001713851911 1418648119 /nfs/dbraw/zinc/64/81/19/1418648119.db2.gz CJVAXMKNJZFBIW-LJQANCHMSA-N 2 2 345.531 3.306 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NC1C[NH+](CCCC(C)(C)C)C1)c1ccccc1 ZINC001713851911 1418648122 /nfs/dbraw/zinc/64/81/22/1418648122.db2.gz CJVAXMKNJZFBIW-LJQANCHMSA-N 2 2 345.531 3.306 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(C)cc1C ZINC001714595151 1419346386 /nfs/dbraw/zinc/34/63/86/1419346386.db2.gz OTOJRRHJJPXRPK-GOSISDBHSA-N 2 2 342.487 3.089 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(C)cc1C ZINC001714595151 1419346391 /nfs/dbraw/zinc/34/63/91/1419346391.db2.gz OTOJRRHJJPXRPK-GOSISDBHSA-N 2 2 342.487 3.089 20 0 EGADLP CC(C)C[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001714973330 1419708088 /nfs/dbraw/zinc/70/80/88/1419708088.db2.gz CVVWXWFNVSTNPE-LJQANCHMSA-N 2 2 342.487 3.487 20 0 EGADLP CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001715038848 1419775807 /nfs/dbraw/zinc/77/58/07/1419775807.db2.gz JAXVFKUNIDVNFA-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001715038848 1419775808 /nfs/dbraw/zinc/77/58/08/1419775808.db2.gz JAXVFKUNIDVNFA-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715337702 1420041532 /nfs/dbraw/zinc/04/15/32/1420041532.db2.gz CRPYMXIEWJZONQ-LSDHHAIUSA-N 2 2 330.476 3.295 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)CCCn1cc[nH+]c1 ZINC001716008224 1420461864 /nfs/dbraw/zinc/46/18/64/1420461864.db2.gz AGHKQRQFOWGXMK-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487654 1420707136 /nfs/dbraw/zinc/70/71/36/1420707136.db2.gz UYGCHKCHECXPKX-CVEARBPZSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487654 1420707137 /nfs/dbraw/zinc/70/71/37/1420707137.db2.gz UYGCHKCHECXPKX-CVEARBPZSA-N 2 2 330.476 3.067 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001717309431 1421251864 /nfs/dbraw/zinc/25/18/64/1421251864.db2.gz MQBFSQZRKFYSAY-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001717309431 1421251867 /nfs/dbraw/zinc/25/18/67/1421251867.db2.gz MQBFSQZRKFYSAY-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCC2)CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001717309431 1421251869 /nfs/dbraw/zinc/25/18/69/1421251869.db2.gz MQBFSQZRKFYSAY-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCC2)CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001717309431 1421251870 /nfs/dbraw/zinc/25/18/70/1421251870.db2.gz MQBFSQZRKFYSAY-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330967 1421266054 /nfs/dbraw/zinc/26/60/54/1421266054.db2.gz CHYYRKVBQQWLQV-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330967 1421266060 /nfs/dbraw/zinc/26/60/60/1421266060.db2.gz CHYYRKVBQQWLQV-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330967 1421266062 /nfs/dbraw/zinc/26/60/62/1421266062.db2.gz CHYYRKVBQQWLQV-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330967 1421266066 /nfs/dbraw/zinc/26/60/66/1421266066.db2.gz CHYYRKVBQQWLQV-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)C[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001717964061 1421735585 /nfs/dbraw/zinc/73/55/85/1421735585.db2.gz PJECKVXLCNHFNB-SFHVURJKSA-N 2 2 342.487 3.262 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC001724747426 1425117205 /nfs/dbraw/zinc/11/72/05/1425117205.db2.gz QEJVNQGLSLXWNF-AWEZNQCLSA-N 2 2 340.471 3.028 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001725515015 1426204930 /nfs/dbraw/zinc/20/49/30/1426204930.db2.gz LQIFHKDABMOUIR-OAHLLOKOSA-N 2 2 342.487 3.021 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396440 1427352186 /nfs/dbraw/zinc/35/21/86/1427352186.db2.gz OMFYBMFHZAYRLP-LIRRHRJNSA-N 2 2 342.487 3.343 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001733778493 1430032610 /nfs/dbraw/zinc/03/26/10/1430032610.db2.gz ZNJQKYRRUTXDIN-QGZVFWFLSA-N 2 2 342.487 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001733778493 1430032611 /nfs/dbraw/zinc/03/26/11/1430032611.db2.gz ZNJQKYRRUTXDIN-QGZVFWFLSA-N 2 2 342.487 3.111 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C[NH2+]CC2CCC2)C2CC2)c(C)[nH+]1 ZINC001734301714 1438032357 /nfs/dbraw/zinc/03/23/57/1438032357.db2.gz LSIUWFGGZLZDJQ-SFHVURJKSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1Cl ZINC001734336742 1438058666 /nfs/dbraw/zinc/05/86/66/1438058666.db2.gz JWUQDGLPVOEWLU-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP CCC[C@H](C)C(=O)NCC1([NH2+]CC)CC[NH+](Cc2ccccc2)CC1 ZINC001734587634 1438177351 /nfs/dbraw/zinc/17/73/51/1438177351.db2.gz NHAZKXDRPRCZKL-SFHVURJKSA-N 2 2 345.531 3.183 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)CC2CCCCCC2)c[nH+]1 ZINC001751997293 1440131826 /nfs/dbraw/zinc/13/18/26/1440131826.db2.gz GYQAQXCPXNLQNX-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)CC2CCCCCC2)c[nH+]1 ZINC001751997293 1440131827 /nfs/dbraw/zinc/13/18/27/1440131827.db2.gz GYQAQXCPXNLQNX-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP CCCCCC[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001752302223 1440168062 /nfs/dbraw/zinc/16/80/62/1440168062.db2.gz AOFKHWAGITUHMC-UHFFFAOYSA-N 2 2 342.487 3.451 20 0 EGADLP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001752652803 1440198069 /nfs/dbraw/zinc/19/80/69/1440198069.db2.gz QBESJBFRHHGYIH-QAQDUYKDSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+][C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001752889473 1440240463 /nfs/dbraw/zinc/24/04/63/1440240463.db2.gz SEDQACMOIHTRIT-BEFAXECRSA-N 2 2 337.467 3.402 20 0 EGADLP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752993401 1440260626 /nfs/dbraw/zinc/26/06/26/1440260626.db2.gz FUVHWJSWZKWBEQ-QGZVFWFLSA-N 2 2 342.487 3.451 20 0 EGADLP CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752993401 1440260627 /nfs/dbraw/zinc/26/06/27/1440260627.db2.gz FUVHWJSWZKWBEQ-QGZVFWFLSA-N 2 2 342.487 3.451 20 0 EGADLP CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CCC(C)CC1 ZINC001753084825 1440295709 /nfs/dbraw/zinc/29/57/09/1440295709.db2.gz FLHDPBCVGVCPFR-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CC1CCC(C)CC1 ZINC001753084825 1440295710 /nfs/dbraw/zinc/29/57/10/1440295710.db2.gz FLHDPBCVGVCPFR-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)c1cccc(C)c1 ZINC001753090333 1440298671 /nfs/dbraw/zinc/29/86/71/1440298671.db2.gz ONOYXTPZMDTKIA-MSOLQXFVSA-N 2 2 342.487 3.342 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)c1cccc(C)c1 ZINC001753090333 1440298672 /nfs/dbraw/zinc/29/86/72/1440298672.db2.gz ONOYXTPZMDTKIA-MSOLQXFVSA-N 2 2 342.487 3.342 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352374 1440378595 /nfs/dbraw/zinc/37/85/95/1440378595.db2.gz MKMISIWWKGQUPL-RTBURBONSA-N 2 2 346.519 3.217 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352374 1440378596 /nfs/dbraw/zinc/37/85/96/1440378596.db2.gz MKMISIWWKGQUPL-RTBURBONSA-N 2 2 346.519 3.217 20 0 EGADLP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001753366991 1440385860 /nfs/dbraw/zinc/38/58/60/1440385860.db2.gz RZYINXNENYJNCZ-IAGOWNOFSA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001753366991 1440385861 /nfs/dbraw/zinc/38/58/61/1440385861.db2.gz RZYINXNENYJNCZ-IAGOWNOFSA-N 2 2 334.508 3.051 20 0 EGADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccccc1Cl ZINC001753426571 1440397239 /nfs/dbraw/zinc/39/72/39/1440397239.db2.gz GSASUVSDEGNZDM-PMPSAXMXSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccccc1Cl ZINC001753426571 1440397240 /nfs/dbraw/zinc/39/72/40/1440397240.db2.gz GSASUVSDEGNZDM-PMPSAXMXSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccccc1Cl ZINC001753426571 1440397241 /nfs/dbraw/zinc/39/72/41/1440397241.db2.gz GSASUVSDEGNZDM-PMPSAXMXSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccccc1Cl ZINC001753426571 1440397242 /nfs/dbraw/zinc/39/72/42/1440397242.db2.gz GSASUVSDEGNZDM-PMPSAXMXSA-N 2 2 349.906 3.028 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753463948 1440412073 /nfs/dbraw/zinc/41/20/73/1440412073.db2.gz KTFXUPZYHSDFLC-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753463948 1440412074 /nfs/dbraw/zinc/41/20/74/1440412074.db2.gz KTFXUPZYHSDFLC-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001753463949 1440412138 /nfs/dbraw/zinc/41/21/38/1440412138.db2.gz KTFXUPZYHSDFLC-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001753463949 1440412139 /nfs/dbraw/zinc/41/21/39/1440412139.db2.gz KTFXUPZYHSDFLC-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001753581343 1440440177 /nfs/dbraw/zinc/44/01/77/1440440177.db2.gz MCWNBSCVNNATCI-WKILWMFISA-N 2 2 346.450 3.333 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001753620671 1440450464 /nfs/dbraw/zinc/45/04/64/1440450464.db2.gz BAJPKSZCPIMJQU-MRXNPFEDSA-N 2 2 346.519 3.159 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001753678641 1440464132 /nfs/dbraw/zinc/46/41/32/1440464132.db2.gz PAPQXPUHGTXRPV-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]CC3CCCCC3)ccn12 ZINC001753689668 1440466192 /nfs/dbraw/zinc/46/61/92/1440466192.db2.gz PHBSCWQRMGKRIP-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001753739324 1440478558 /nfs/dbraw/zinc/47/85/58/1440478558.db2.gz BDSKMXLYYNIPON-SJLPKXTDSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CC3CCCCC3)ccn12 ZINC001753965818 1440526432 /nfs/dbraw/zinc/52/64/32/1440526432.db2.gz JIKHCHKVJWKSOH-OAHLLOKOSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]CC2CCC(C)CC2)c[nH+]1 ZINC001753975166 1440527343 /nfs/dbraw/zinc/52/73/43/1440527343.db2.gz AERYLCUPPHBQMF-UPTPFMHGSA-N 2 2 348.535 3.237 20 0 EGADLP C[C@@H](CC[NH2+]CCCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001753982529 1440528125 /nfs/dbraw/zinc/52/81/25/1440528125.db2.gz PXCZNNCKACUWDD-HNNXBMFYSA-N 2 2 330.476 3.259 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001754453571 1440601763 /nfs/dbraw/zinc/60/17/63/1440601763.db2.gz AYQLYIQPJJGWKD-INIZCTEOSA-N 2 2 342.487 3.259 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754871095 1440705183 /nfs/dbraw/zinc/70/51/83/1440705183.db2.gz YQMAFWMVOQPKTK-BHIYHBOVSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754871095 1440705184 /nfs/dbraw/zinc/70/51/84/1440705184.db2.gz YQMAFWMVOQPKTK-BHIYHBOVSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754871095 1440705185 /nfs/dbraw/zinc/70/51/85/1440705185.db2.gz YQMAFWMVOQPKTK-BHIYHBOVSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754871095 1440705186 /nfs/dbraw/zinc/70/51/86/1440705186.db2.gz YQMAFWMVOQPKTK-BHIYHBOVSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@@H](F)CC[N@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755040645 1440737033 /nfs/dbraw/zinc/73/70/33/1440737033.db2.gz BCATZSYNRBEGBX-MRXNPFEDSA-N 2 2 346.450 3.014 20 0 EGADLP C[C@@H](F)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755040645 1440737034 /nfs/dbraw/zinc/73/70/34/1440737034.db2.gz BCATZSYNRBEGBX-MRXNPFEDSA-N 2 2 346.450 3.014 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H](C)[C@H]([NH2+]CCCC(C)C)C3)ccn12 ZINC001755108528 1440754000 /nfs/dbraw/zinc/75/40/00/1440754000.db2.gz HDNPWHNBNBWFOH-MAUKXSAKSA-N 2 2 342.487 3.129 20 0 EGADLP C[C@@H](CC(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001755217817 1440784219 /nfs/dbraw/zinc/78/42/19/1440784219.db2.gz IFKUWUHXKGMHQK-IVMQYODDSA-N 2 2 346.519 3.289 20 0 EGADLP CCC(CC)C[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755283705 1440801236 /nfs/dbraw/zinc/80/12/36/1440801236.db2.gz RBHMQUVGIUSMLR-UHFFFAOYSA-N 2 2 344.503 3.458 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755317152 1440816226 /nfs/dbraw/zinc/81/62/26/1440816226.db2.gz ATBPVGXCDQUHAV-MRXNPFEDSA-N 2 2 344.503 3.058 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755317152 1440816227 /nfs/dbraw/zinc/81/62/27/1440816227.db2.gz ATBPVGXCDQUHAV-MRXNPFEDSA-N 2 2 344.503 3.058 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755379036 1440838826 /nfs/dbraw/zinc/83/88/26/1440838826.db2.gz SLUZZLIAKIIRJR-HUUCEWRRSA-N 2 2 342.487 3.295 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412926 1440847106 /nfs/dbraw/zinc/84/71/06/1440847106.db2.gz SPWIIVNVCLJYJY-MSOLQXFVSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412926 1440847107 /nfs/dbraw/zinc/84/71/07/1440847107.db2.gz SPWIIVNVCLJYJY-MSOLQXFVSA-N 2 2 346.519 3.097 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413282 1440847238 /nfs/dbraw/zinc/84/72/38/1440847238.db2.gz WSRNJZHGDPJUON-VCKBAZOKSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413282 1440847239 /nfs/dbraw/zinc/84/72/39/1440847239.db2.gz WSRNJZHGDPJUON-VCKBAZOKSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413282 1440847240 /nfs/dbraw/zinc/84/72/40/1440847240.db2.gz WSRNJZHGDPJUON-VCKBAZOKSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413282 1440847241 /nfs/dbraw/zinc/84/72/41/1440847241.db2.gz WSRNJZHGDPJUON-VCKBAZOKSA-N 2 2 344.503 3.086 20 0 EGADLP C[C@@H](CCC[NH2+]CC1CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001755504357 1440862967 /nfs/dbraw/zinc/86/29/67/1440862967.db2.gz LNHWLVJEDODYFN-INIZCTEOSA-N 2 2 342.487 3.403 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001755701013 1440900318 /nfs/dbraw/zinc/90/03/18/1440900318.db2.gz LRXPRMPXWQFOOH-YVWKXTFCSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001755701013 1440900319 /nfs/dbraw/zinc/90/03/19/1440900319.db2.gz LRXPRMPXWQFOOH-YVWKXTFCSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001755701013 1440900320 /nfs/dbraw/zinc/90/03/20/1440900320.db2.gz LRXPRMPXWQFOOH-YVWKXTFCSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001755701013 1440900321 /nfs/dbraw/zinc/90/03/21/1440900321.db2.gz LRXPRMPXWQFOOH-YVWKXTFCSA-N 2 2 346.519 3.138 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001755705004 1440902369 /nfs/dbraw/zinc/90/23/69/1440902369.db2.gz SVRPAPDOLJXMAX-ICSRJNTNSA-N 2 2 346.519 3.213 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001755705004 1440902370 /nfs/dbraw/zinc/90/23/70/1440902370.db2.gz SVRPAPDOLJXMAX-ICSRJNTNSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C)c(C)[nH+]1 ZINC001755828275 1440927829 /nfs/dbraw/zinc/92/78/29/1440927829.db2.gz DNWAXDOVPBVRBM-MVGZEHJDSA-N 2 2 337.895 3.493 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1)n1cc[nH+]c1 ZINC001755843700 1440932357 /nfs/dbraw/zinc/93/23/57/1440932357.db2.gz SCKBIKDALJXEQM-SJLPKXTDSA-N 2 2 334.508 3.095 20 0 EGADLP COc1cc2cc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2cc1F ZINC001164775542 721302603 /nfs/dbraw/zinc/30/26/03/721302603.db2.gz ZJFVJPADFFASIL-UHFFFAOYSA-N 2 2 341.430 3.305 20 0 EGADLP COc1cc2cc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2cc1F ZINC001164775542 721302605 /nfs/dbraw/zinc/30/26/05/721302605.db2.gz ZJFVJPADFFASIL-UHFFFAOYSA-N 2 2 341.430 3.305 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000368131979 168314938 /nfs/dbraw/zinc/31/49/38/168314938.db2.gz CVLBDTMPGCCXAT-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000368131979 168314940 /nfs/dbraw/zinc/31/49/40/168314940.db2.gz CVLBDTMPGCCXAT-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)[C@@H]3OCCc4sccc43)c[nH+]c12 ZINC000368371479 168347710 /nfs/dbraw/zinc/34/77/10/168347710.db2.gz WFAHAAHBPDSGJR-DYVFJYSZSA-N 2 2 327.453 3.496 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000368569564 168374501 /nfs/dbraw/zinc/37/45/01/168374501.db2.gz XAFBJFVCJWZRPB-CYBMUJFWSA-N 2 2 349.475 3.090 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000181093239 529899535 /nfs/dbraw/zinc/89/95/35/529899535.db2.gz WJGQBYQNRXFZGW-KRWDZBQOSA-N 2 2 346.862 3.054 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000181093239 529899537 /nfs/dbraw/zinc/89/95/37/529899537.db2.gz WJGQBYQNRXFZGW-KRWDZBQOSA-N 2 2 346.862 3.054 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000187786171 530000739 /nfs/dbraw/zinc/00/07/39/530000739.db2.gz ZKFOKBYNHWYCNC-UXHICEINSA-N 2 2 338.499 3.371 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000187786171 530000740 /nfs/dbraw/zinc/00/07/40/530000740.db2.gz ZKFOKBYNHWYCNC-UXHICEINSA-N 2 2 338.499 3.371 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c(Br)c1 ZINC000181389284 234171569 /nfs/dbraw/zinc/17/15/69/234171569.db2.gz QTQRVAKFPFOIRM-GFCCVEGCSA-N 2 2 338.249 3.395 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C[C@@H](C)O)cc3)[nH+]c12 ZINC000130834242 223180569 /nfs/dbraw/zinc/18/05/69/223180569.db2.gz YTZQRYCDJOSREF-MRXNPFEDSA-N 2 2 339.439 3.034 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)C[C@@H](C)O)cc3)[nH+]c12 ZINC000130834242 223180572 /nfs/dbraw/zinc/18/05/72/223180572.db2.gz YTZQRYCDJOSREF-MRXNPFEDSA-N 2 2 339.439 3.034 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000130913292 223187319 /nfs/dbraw/zinc/18/73/19/223187319.db2.gz QRUGLIVWCSWZIY-UHFFFAOYSA-N 2 2 349.482 3.388 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000072718230 216298644 /nfs/dbraw/zinc/29/86/44/216298644.db2.gz GBJGKHRORVVCCP-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000072718230 216298647 /nfs/dbraw/zinc/29/86/47/216298647.db2.gz GBJGKHRORVVCCP-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803475 216308171 /nfs/dbraw/zinc/30/81/71/216308171.db2.gz JTIUEYTVSOBCBT-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803475 216308172 /nfs/dbraw/zinc/30/81/72/216308172.db2.gz JTIUEYTVSOBCBT-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857785 216318797 /nfs/dbraw/zinc/31/87/97/216318797.db2.gz IKLHHTIVACDCJY-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857785 216318798 /nfs/dbraw/zinc/31/87/98/216318798.db2.gz IKLHHTIVACDCJY-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857785 216318799 /nfs/dbraw/zinc/31/87/99/216318799.db2.gz IKLHHTIVACDCJY-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857785 216318801 /nfs/dbraw/zinc/31/88/01/216318801.db2.gz IKLHHTIVACDCJY-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230319782 242257134 /nfs/dbraw/zinc/25/71/34/242257134.db2.gz CYYVMSRATVIMRC-JTQLQIEISA-N 2 2 333.220 3.288 20 0 EGADLP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230319782 242257140 /nfs/dbraw/zinc/25/71/40/242257140.db2.gz CYYVMSRATVIMRC-JTQLQIEISA-N 2 2 333.220 3.288 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390694 243243498 /nfs/dbraw/zinc/24/34/98/243243498.db2.gz PESKITWXDMAHCX-HOTGVXAUSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390694 243243502 /nfs/dbraw/zinc/24/35/02/243243502.db2.gz PESKITWXDMAHCX-HOTGVXAUSA-N 2 2 325.456 3.050 20 0 EGADLP COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000264901916 247026389 /nfs/dbraw/zinc/02/63/89/247026389.db2.gz IDLCPNHPYNSPHX-HXUWFJFHSA-N 2 2 337.423 3.046 20 0 EGADLP COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000264901916 247026394 /nfs/dbraw/zinc/02/63/94/247026394.db2.gz IDLCPNHPYNSPHX-HXUWFJFHSA-N 2 2 337.423 3.046 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000377544654 169039629 /nfs/dbraw/zinc/03/96/29/169039629.db2.gz VMXIUWGCGKZYGZ-OALUTQOASA-N 3 2 345.531 3.144 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1F ZINC000378375493 169109914 /nfs/dbraw/zinc/10/99/14/169109914.db2.gz YMUKPTQCCPWZIK-FVQBIDKESA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1F ZINC000378375493 169109915 /nfs/dbraw/zinc/10/99/15/169109915.db2.gz YMUKPTQCCPWZIK-FVQBIDKESA-N 2 2 326.843 3.163 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000092165382 218124800 /nfs/dbraw/zinc/12/48/00/218124800.db2.gz KACFLVJKENOSET-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000092165382 218124803 /nfs/dbraw/zinc/12/48/03/218124803.db2.gz KACFLVJKENOSET-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP CCn1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318101 218213608 /nfs/dbraw/zinc/21/36/08/218213608.db2.gz WDFDOGSSYYBKQI-XLIONFOSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318101 218213610 /nfs/dbraw/zinc/21/36/10/218213610.db2.gz WDFDOGSSYYBKQI-XLIONFOSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318101 218213612 /nfs/dbraw/zinc/21/36/12/218213612.db2.gz WDFDOGSSYYBKQI-XLIONFOSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318101 218213614 /nfs/dbraw/zinc/21/36/14/218213614.db2.gz WDFDOGSSYYBKQI-XLIONFOSSA-N 2 2 326.488 3.388 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597864 218234506 /nfs/dbraw/zinc/23/45/06/218234506.db2.gz JAQZQWZKNLGUER-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597864 218234508 /nfs/dbraw/zinc/23/45/08/218234508.db2.gz JAQZQWZKNLGUER-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093692899 218241557 /nfs/dbraw/zinc/24/15/57/218241557.db2.gz QDCRJZRJTHUSFV-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093692899 218241558 /nfs/dbraw/zinc/24/15/58/218241558.db2.gz QDCRJZRJTHUSFV-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000268686876 252139733 /nfs/dbraw/zinc/13/97/33/252139733.db2.gz YTYTWIHFNWWNLU-IBGZPJMESA-N 2 2 344.499 3.464 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000268686876 252139738 /nfs/dbraw/zinc/13/97/38/252139738.db2.gz YTYTWIHFNWWNLU-IBGZPJMESA-N 2 2 344.499 3.464 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nnc2ccccn21 ZINC000268732275 252182810 /nfs/dbraw/zinc/18/28/10/252182810.db2.gz MTNSAZXBXLISJV-LNLFQRSKSA-N 2 2 349.482 3.433 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nnc2ccccn21 ZINC000268732275 252182812 /nfs/dbraw/zinc/18/28/12/252182812.db2.gz MTNSAZXBXLISJV-LNLFQRSKSA-N 2 2 349.482 3.433 20 0 EGADLP COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268746530 252196811 /nfs/dbraw/zinc/19/68/11/252196811.db2.gz HWUYZFDWKJJBJU-MGPUTAFESA-N 2 2 337.423 3.265 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000268814885 252265231 /nfs/dbraw/zinc/26/52/31/252265231.db2.gz FTOLJAALZCOGPW-PBHICJAKSA-N 2 2 345.512 3.226 20 0 EGADLP CC[NH+]1CCC(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112627161 220359178 /nfs/dbraw/zinc/35/91/78/220359178.db2.gz JAZWVDYWVJDIEQ-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)ccc1SC ZINC000153276737 533117796 /nfs/dbraw/zinc/11/77/96/533117796.db2.gz DKTLXFKNYPPATR-HUUCEWRRSA-N 2 2 338.517 3.036 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154877900 224319766 /nfs/dbraw/zinc/31/97/66/224319766.db2.gz IESYRNNZKNDVII-ZDUSSCGKSA-N 2 2 326.868 3.110 20 0 EGADLP CCN(CC)[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000119094562 221243415 /nfs/dbraw/zinc/24/34/15/221243415.db2.gz JQAIODGRARYYAX-GOSISDBHSA-N 2 2 342.487 3.316 20 0 EGADLP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)C1CC[NH+](C)CC1 ZINC000338134642 141099734 /nfs/dbraw/zinc/09/97/34/141099734.db2.gz KTGFBEVJJDSAAL-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374452 141110538 /nfs/dbraw/zinc/11/05/38/141110538.db2.gz UJIVYGWMSICLBG-MJGOQNOKSA-N 2 2 347.503 3.332 20 0 EGADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCO[C@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374452 141110539 /nfs/dbraw/zinc/11/05/39/141110539.db2.gz UJIVYGWMSICLBG-MJGOQNOKSA-N 2 2 347.503 3.332 20 0 EGADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374475 141110866 /nfs/dbraw/zinc/11/08/66/141110866.db2.gz UJIVYGWMSICLBG-PKOBYXMFSA-N 2 2 347.503 3.332 20 0 EGADLP c1[nH+]c([C@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374475 141110867 /nfs/dbraw/zinc/11/08/67/141110867.db2.gz UJIVYGWMSICLBG-PKOBYXMFSA-N 2 2 347.503 3.332 20 0 EGADLP CC[N@H+](CCCNC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000339551674 141129648 /nfs/dbraw/zinc/12/96/48/141129648.db2.gz YRZSQASJZSBASC-UHFFFAOYSA-N 2 2 346.519 3.078 20 0 EGADLP CC[N@@H+](CCCNC(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000339551674 141129649 /nfs/dbraw/zinc/12/96/49/141129649.db2.gz YRZSQASJZSBASC-UHFFFAOYSA-N 2 2 346.519 3.078 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CCc3cccc4cccnc43)CC2)nc1 ZINC000341262441 141146530 /nfs/dbraw/zinc/14/65/30/141146530.db2.gz DXKIVTMTLXIMDQ-UHFFFAOYSA-N 2 2 346.478 3.427 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc3ccc(Cl)cn13)CCC2 ZINC000344545324 141171521 /nfs/dbraw/zinc/17/15/21/141171521.db2.gz JBUSNJDBXLODPX-ZDUSSCGKSA-N 2 2 329.835 3.160 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344555954 141172482 /nfs/dbraw/zinc/17/24/82/141172482.db2.gz YLHITECUBASSSX-IBGZPJMESA-N 2 2 330.859 3.067 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346481122 141203669 /nfs/dbraw/zinc/20/36/69/141203669.db2.gz YVNYSMQFNZOUCG-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346481122 141203671 /nfs/dbraw/zinc/20/36/71/141203671.db2.gz YVNYSMQFNZOUCG-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934034 141271409 /nfs/dbraw/zinc/27/14/09/141271409.db2.gz UCNCXRMVCGZGDT-OXJNMPFZSA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934034 141271410 /nfs/dbraw/zinc/27/14/10/141271410.db2.gz UCNCXRMVCGZGDT-OXJNMPFZSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934034 141271411 /nfs/dbraw/zinc/27/14/11/141271411.db2.gz UCNCXRMVCGZGDT-OXJNMPFZSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)[C@@H]2C1 ZINC000352934034 141271412 /nfs/dbraw/zinc/27/14/12/141271412.db2.gz UCNCXRMVCGZGDT-OXJNMPFZSA-N 2 2 325.431 3.414 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353345565 141291930 /nfs/dbraw/zinc/29/19/30/141291930.db2.gz GMXSZADTPIXZRK-UHFFFAOYSA-N 2 2 343.475 3.454 20 0 EGADLP CC[C@@H](C)[N@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354593937 141311897 /nfs/dbraw/zinc/31/18/97/141311897.db2.gz FHCKMXYQNZPYAV-OAHLLOKOSA-N 2 2 342.487 3.150 20 0 EGADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354593937 141311898 /nfs/dbraw/zinc/31/18/98/141311898.db2.gz FHCKMXYQNZPYAV-OAHLLOKOSA-N 2 2 342.487 3.150 20 0 EGADLP CCN(CC)c1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c[nH+]1 ZINC000354593492 141311912 /nfs/dbraw/zinc/31/19/12/141311912.db2.gz DNYXEYMAEFYSIU-IBGZPJMESA-N 2 2 346.519 3.055 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCCC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000344711470 144212947 /nfs/dbraw/zinc/21/29/47/144212947.db2.gz HCNGDGJYAIMREM-UHFFFAOYSA-N 2 2 329.444 3.392 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734527 144217551 /nfs/dbraw/zinc/21/75/51/144217551.db2.gz XUJAWTMOEPQKSZ-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734527 144217553 /nfs/dbraw/zinc/21/75/53/144217553.db2.gz XUJAWTMOEPQKSZ-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853496 144316218 /nfs/dbraw/zinc/31/62/18/144316218.db2.gz OGZCQLJYCZTOPW-UKRRQHHQSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853496 144316219 /nfs/dbraw/zinc/31/62/19/144316219.db2.gz OGZCQLJYCZTOPW-UKRRQHHQSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855943 144316980 /nfs/dbraw/zinc/31/69/80/144316980.db2.gz UMDRQXXEPOQCRQ-QWHCGFSZSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855943 144316981 /nfs/dbraw/zinc/31/69/81/144316981.db2.gz UMDRQXXEPOQCRQ-QWHCGFSZSA-N 2 2 335.448 3.030 20 0 EGADLP Cc1cccn2c(CN3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)c[nH+]c12 ZINC000352287616 144322950 /nfs/dbraw/zinc/32/29/50/144322950.db2.gz PVJQUSKVSNTLSO-BZSNNMDCSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361731976 144356559 /nfs/dbraw/zinc/35/65/59/144356559.db2.gz INUCNTKVEHTBOX-GOSISDBHSA-N 2 2 339.483 3.412 20 0 EGADLP COc1ccccc1[C@H](CNCc1[nH+]cc(C)n1C)[NH+]1CCCCC1 ZINC000341151108 155194153 /nfs/dbraw/zinc/19/41/53/155194153.db2.gz UYWHEJKAOIQLOU-SFHVURJKSA-N 2 2 342.487 3.054 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341336443 155238335 /nfs/dbraw/zinc/23/83/35/155238335.db2.gz IDGGGMQGKIWLBP-NQIIRXRSSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341336443 155238339 /nfs/dbraw/zinc/23/83/39/155238339.db2.gz IDGGGMQGKIWLBP-NQIIRXRSSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000115314693 152005820 /nfs/dbraw/zinc/00/58/20/152005820.db2.gz VZYGNWALFQUGDX-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP CCCC[NH+]1CCC(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000118780873 152151664 /nfs/dbraw/zinc/15/16/64/152151664.db2.gz AGIYYZJIVQESKW-UHFFFAOYSA-N 2 2 340.471 3.175 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000121707847 152366281 /nfs/dbraw/zinc/36/62/81/152366281.db2.gz YNEJDGVSVDBREQ-LPHOPBHVSA-N 2 2 326.488 3.426 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000121707847 152366285 /nfs/dbraw/zinc/36/62/85/152366285.db2.gz YNEJDGVSVDBREQ-LPHOPBHVSA-N 2 2 326.488 3.426 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152759783 152510138 /nfs/dbraw/zinc/51/01/38/152510138.db2.gz NEJHEDNIFPZSBR-MRXNPFEDSA-N 2 2 343.471 3.138 20 0 EGADLP CCN(C)c1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000190744219 153157699 /nfs/dbraw/zinc/15/76/99/153157699.db2.gz KPNVELPGCQTROQ-UHFFFAOYSA-N 2 2 349.482 3.115 20 0 EGADLP Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000191959146 153234211 /nfs/dbraw/zinc/23/42/11/153234211.db2.gz ZRXXMXGLWPNLIQ-QGZVFWFLSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000191959146 153234216 /nfs/dbraw/zinc/23/42/16/153234216.db2.gz ZRXXMXGLWPNLIQ-QGZVFWFLSA-N 2 2 337.427 3.252 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)c[nH+]1 ZINC000193968782 153316221 /nfs/dbraw/zinc/31/62/21/153316221.db2.gz BSYVCWHVROXOHL-VAMGGRTRSA-N 2 2 337.467 3.369 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(CO)c1 ZINC000305634050 154100236 /nfs/dbraw/zinc/10/02/36/154100236.db2.gz HDKUQCLYQWOSFV-CQSZACIVSA-N 2 2 325.387 3.355 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000305847789 154135277 /nfs/dbraw/zinc/13/52/77/154135277.db2.gz TWFRGYARJJSUPY-ROUUACIJSA-N 2 2 336.838 3.081 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310964982 154143966 /nfs/dbraw/zinc/14/39/66/154143966.db2.gz OLXREMGXZXLJAS-QAPCUYQASA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310964982 154143970 /nfs/dbraw/zinc/14/39/70/154143970.db2.gz OLXREMGXZXLJAS-QAPCUYQASA-N 2 2 342.439 3.066 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810226 154179798 /nfs/dbraw/zinc/17/97/98/154179798.db2.gz KANOECNVICWPTR-DUVNUKRYSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810226 154179802 /nfs/dbraw/zinc/17/98/02/154179802.db2.gz KANOECNVICWPTR-DUVNUKRYSA-N 2 2 344.377 3.099 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3OC(F)F)sc2C1 ZINC000337289646 154261750 /nfs/dbraw/zinc/26/17/50/154261750.db2.gz LUUBECFRCXOAEM-WCQYABFASA-N 2 2 345.459 3.160 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)oc1C ZINC000337449259 154359123 /nfs/dbraw/zinc/35/91/23/154359123.db2.gz HITNZPOFALULIB-PWIZWCRZSA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)oc1C ZINC000337449259 154359127 /nfs/dbraw/zinc/35/91/27/154359127.db2.gz HITNZPOFALULIB-PWIZWCRZSA-N 2 2 342.483 3.430 20 0 EGADLP CCc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000339971361 155057149 /nfs/dbraw/zinc/05/71/49/155057149.db2.gz RNVOOJDLIZBIBK-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1OC(F)F ZINC000346813011 156145982 /nfs/dbraw/zinc/14/59/82/156145982.db2.gz YDBHYRROMKAPCC-OUCADQQQSA-N 2 2 328.403 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)ccc1OC(F)F ZINC000346813011 156145985 /nfs/dbraw/zinc/14/59/85/156145985.db2.gz YDBHYRROMKAPCC-OUCADQQQSA-N 2 2 328.403 3.430 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974950 156226073 /nfs/dbraw/zinc/22/60/73/156226073.db2.gz CNQOMFZVXJXBSB-CTNGQTDRSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974950 156226077 /nfs/dbraw/zinc/22/60/77/156226077.db2.gz CNQOMFZVXJXBSB-CTNGQTDRSA-N 2 2 339.483 3.149 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000348889045 156276962 /nfs/dbraw/zinc/27/69/62/156276962.db2.gz BSOIEBFGMLKBEX-FQEVSTJZSA-N 2 2 338.451 3.227 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000348889045 156276964 /nfs/dbraw/zinc/27/69/64/156276964.db2.gz BSOIEBFGMLKBEX-FQEVSTJZSA-N 2 2 338.451 3.227 20 0 EGADLP Cc1ccc2[nH+]c(CN(CC[NH+](C)C)Cc3ccc(F)cc3)cn2c1 ZINC000349083713 156348869 /nfs/dbraw/zinc/34/88/69/156348869.db2.gz ZCULKLOUOPAJAQ-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000352773553 156477634 /nfs/dbraw/zinc/47/76/34/156477634.db2.gz UIIFQRMOBRBGPM-CYBMUJFWSA-N 2 2 349.500 3.463 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365436181 157125546 /nfs/dbraw/zinc/12/55/46/157125546.db2.gz KMASLECZSKELFX-UHFFFAOYSA-N 2 2 344.422 3.051 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365625679 157197357 /nfs/dbraw/zinc/19/73/57/157197357.db2.gz MZHFIHFZLYLFFD-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365625679 157197360 /nfs/dbraw/zinc/19/73/60/157197360.db2.gz MZHFIHFZLYLFFD-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)C1CC[NH+](CCC)CC1)c1ccccc1 ZINC000111240878 162149278 /nfs/dbraw/zinc/14/92/78/162149278.db2.gz BTZSUAJWJIIEEG-FQEVSTJZSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](CCC)CC1)c1ccccc1 ZINC000111240878 162149280 /nfs/dbraw/zinc/14/92/80/162149280.db2.gz BTZSUAJWJIIEEG-FQEVSTJZSA-N 2 2 345.531 3.450 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479301 162233404 /nfs/dbraw/zinc/23/34/04/162233404.db2.gz GYBQGSHVXDJKOV-JKSUJKDBSA-N 2 2 331.504 3.022 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479301 162233412 /nfs/dbraw/zinc/23/34/12/162233412.db2.gz GYBQGSHVXDJKOV-JKSUJKDBSA-N 2 2 331.504 3.022 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000131370720 162399910 /nfs/dbraw/zinc/39/99/10/162399910.db2.gz GRVUQITZZMGXQL-PBHICJAKSA-N 2 2 333.863 3.062 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000131370720 162399912 /nfs/dbraw/zinc/39/99/12/162399912.db2.gz GRVUQITZZMGXQL-PBHICJAKSA-N 2 2 333.863 3.062 20 0 EGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248416132 163002826 /nfs/dbraw/zinc/00/28/26/163002826.db2.gz PAEXENDBXQTSGQ-IRXDYDNUSA-N 2 2 327.472 3.487 20 0 EGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248416132 163002829 /nfs/dbraw/zinc/00/28/29/163002829.db2.gz PAEXENDBXQTSGQ-IRXDYDNUSA-N 2 2 327.472 3.487 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1OC ZINC000249126569 163057851 /nfs/dbraw/zinc/05/78/51/163057851.db2.gz UGVQQDSQGZZNHS-SJORKVTESA-N 2 2 347.503 3.185 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1OC ZINC000249126569 163057854 /nfs/dbraw/zinc/05/78/54/163057854.db2.gz UGVQQDSQGZZNHS-SJORKVTESA-N 2 2 347.503 3.185 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H](C(C)C)[NH+](C)C)ccc2n1C1CC1 ZINC000338674183 163314533 /nfs/dbraw/zinc/31/45/33/163314533.db2.gz NVLDFFQGDKJUIS-IBGZPJMESA-N 2 2 342.487 3.136 20 0 EGADLP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354476890 166014429 /nfs/dbraw/zinc/01/44/29/166014429.db2.gz LXQHEACLMBSEJI-SFHVURJKSA-N 2 2 346.496 3.165 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000344111149 164105990 /nfs/dbraw/zinc/10/59/90/164105990.db2.gz UPXCOUMJWVQHKM-QZTJIDSGSA-N 2 2 331.504 3.093 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000344111149 164105991 /nfs/dbraw/zinc/10/59/91/164105991.db2.gz UPXCOUMJWVQHKM-QZTJIDSGSA-N 2 2 331.504 3.093 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344289395 164147539 /nfs/dbraw/zinc/14/75/39/164147539.db2.gz KSKVCTYXUYTWQU-AZUAARDMSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344289395 164147541 /nfs/dbraw/zinc/14/75/41/164147541.db2.gz KSKVCTYXUYTWQU-AZUAARDMSA-N 2 2 330.516 3.429 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000346100431 164336329 /nfs/dbraw/zinc/33/63/29/164336329.db2.gz SIMWNGLYIBCBSH-INIZCTEOSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000346100431 164336330 /nfs/dbraw/zinc/33/63/30/164336330.db2.gz SIMWNGLYIBCBSH-INIZCTEOSA-N 2 2 339.439 3.231 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303678 164366313 /nfs/dbraw/zinc/36/63/13/164366313.db2.gz BLHWSATWGGFFEO-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303678 164366316 /nfs/dbraw/zinc/36/63/16/164366316.db2.gz BLHWSATWGGFFEO-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303678 164366319 /nfs/dbraw/zinc/36/63/19/164366319.db2.gz BLHWSATWGGFFEO-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303678 164366321 /nfs/dbraw/zinc/36/63/21/164366321.db2.gz BLHWSATWGGFFEO-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352072501 165220542 /nfs/dbraw/zinc/22/05/42/165220542.db2.gz WTMGTSWJBSRGLP-NLFBCNDMSA-N 2 2 346.515 3.325 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352072501 165220544 /nfs/dbraw/zinc/22/05/44/165220544.db2.gz WTMGTSWJBSRGLP-NLFBCNDMSA-N 2 2 346.515 3.325 20 0 EGADLP Cc1ccn2c(C[N@@H+]3CCc4c(cnn4-c4ccccc4)C3)c[nH+]c2c1 ZINC000352348103 165356336 /nfs/dbraw/zinc/35/63/36/165356336.db2.gz ZCCNYBGBIPCTMJ-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP Cc1ccn2c(C[N@H+]3CCc4c(cnn4-c4ccccc4)C3)c[nH+]c2c1 ZINC000352348103 165356341 /nfs/dbraw/zinc/35/63/41/165356341.db2.gz ZCCNYBGBIPCTMJ-UHFFFAOYSA-N 2 2 343.434 3.387 20 0 EGADLP CCOC(=O)[C@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000355145518 166117413 /nfs/dbraw/zinc/11/74/13/166117413.db2.gz AQXBAZKPTHFZPJ-OAQYLSRUSA-N 2 2 340.467 3.433 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000355944809 166356164 /nfs/dbraw/zinc/35/61/64/166356164.db2.gz OTWIUHXOKWIQKA-NTKDMRAZSA-N 2 2 348.556 3.238 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000355944809 166356166 /nfs/dbraw/zinc/35/61/66/166356166.db2.gz OTWIUHXOKWIQKA-NTKDMRAZSA-N 2 2 348.556 3.238 20 0 EGADLP CCCC[NH+]1CCC(NC(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000356086470 166395906 /nfs/dbraw/zinc/39/59/06/166395906.db2.gz HAVGOTOIXANFFR-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCSc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000359052167 167050980 /nfs/dbraw/zinc/05/09/80/167050980.db2.gz FRPWCSWBFMDLAD-UONOGXRCSA-N 2 2 328.909 3.260 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCSc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000359052167 167050982 /nfs/dbraw/zinc/05/09/82/167050982.db2.gz FRPWCSWBFMDLAD-UONOGXRCSA-N 2 2 328.909 3.260 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000359583516 167201224 /nfs/dbraw/zinc/20/12/24/167201224.db2.gz PZPNFVKYBVOXTB-CQSZACIVSA-N 2 2 345.468 3.203 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21)C[NH+]1CCCC1 ZINC000360233275 167277328 /nfs/dbraw/zinc/27/73/28/167277328.db2.gz GMPTYJUGEJPPGN-ZYHUDNBSSA-N 2 2 349.327 3.479 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360331036 167303846 /nfs/dbraw/zinc/30/38/46/167303846.db2.gz YEJVHJDGJOORSP-CMKODMSKSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360331036 167303849 /nfs/dbraw/zinc/30/38/49/167303849.db2.gz YEJVHJDGJOORSP-CMKODMSKSA-N 2 2 345.531 3.037 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366211150 168094518 /nfs/dbraw/zinc/09/45/18/168094518.db2.gz QMJGJJYXLUWRAX-PKOBYXMFSA-N 2 2 345.462 3.445 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366211149 168094742 /nfs/dbraw/zinc/09/47/42/168094742.db2.gz QMJGJJYXLUWRAX-MJGOQNOKSA-N 2 2 345.462 3.445 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000366246341 168097535 /nfs/dbraw/zinc/09/75/35/168097535.db2.gz DSLTXYMWXMLUKD-KRWDZBQOSA-N 2 2 335.455 3.294 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367134292 168183506 /nfs/dbraw/zinc/18/35/06/168183506.db2.gz WLHDIKHODUDXNM-GFCCVEGCSA-N 2 2 333.819 3.229 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367134292 168183508 /nfs/dbraw/zinc/18/35/08/168183508.db2.gz WLHDIKHODUDXNM-GFCCVEGCSA-N 2 2 333.819 3.229 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367398078 168220793 /nfs/dbraw/zinc/22/07/93/168220793.db2.gz CIPFJBXXJLUZDB-NEPJUHHUSA-N 2 2 332.341 3.441 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367398078 168220795 /nfs/dbraw/zinc/22/07/95/168220795.db2.gz CIPFJBXXJLUZDB-NEPJUHHUSA-N 2 2 332.341 3.441 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000367439946 168225646 /nfs/dbraw/zinc/22/56/46/168225646.db2.gz YMGTVWULOMTVDW-INIZCTEOSA-N 3 2 342.487 3.011 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367700993 168260306 /nfs/dbraw/zinc/26/03/06/168260306.db2.gz XZSPNECYSZLEIM-NXEWRWPSSA-N 2 2 349.563 3.409 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367700993 168260309 /nfs/dbraw/zinc/26/03/09/168260309.db2.gz XZSPNECYSZLEIM-NXEWRWPSSA-N 2 2 349.563 3.409 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367923832 168285328 /nfs/dbraw/zinc/28/53/28/168285328.db2.gz DVAIMTTZNVYFKM-YJBOKZPZSA-N 2 2 328.412 3.025 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367923832 168285329 /nfs/dbraw/zinc/28/53/29/168285329.db2.gz DVAIMTTZNVYFKM-YJBOKZPZSA-N 2 2 328.412 3.025 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000368030294 168300710 /nfs/dbraw/zinc/30/07/10/168300710.db2.gz MTHFUYPEBVTAKM-FQEVSTJZSA-N 2 2 337.467 3.103 20 0 EGADLP CC(=O)Oc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000368056934 168305372 /nfs/dbraw/zinc/30/53/72/168305372.db2.gz MRLYCACXHJHYMI-UHFFFAOYSA-N 2 2 340.423 3.359 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000121560527 221874763 /nfs/dbraw/zinc/87/47/63/221874763.db2.gz BXMSHAOWKXWALA-KRWDZBQOSA-N 2 2 330.476 3.366 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000124215489 222393229 /nfs/dbraw/zinc/39/32/29/222393229.db2.gz BDCZAIGQVMGTDK-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000124215489 222393231 /nfs/dbraw/zinc/39/32/31/222393231.db2.gz BDCZAIGQVMGTDK-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP CC(C)c1nc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc[nH+]1 ZINC000176973865 265221545 /nfs/dbraw/zinc/22/15/45/265221545.db2.gz NTXQPEURPKFIOS-IAGOWNOFSA-N 2 2 346.519 3.316 20 0 EGADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000177357906 265249187 /nfs/dbraw/zinc/24/91/87/265249187.db2.gz ZOKKCWANAYENAK-UWJYYQICSA-N 2 2 342.458 3.473 20 0 EGADLP Clc1ccc(/C=C/C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179416344 265376193 /nfs/dbraw/zinc/37/61/93/265376193.db2.gz JVVFHBBVLTYZRF-FVIAUOKHSA-N 2 2 334.891 3.397 20 0 EGADLP Clc1ccc(/C=C/C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179416344 265376197 /nfs/dbraw/zinc/37/61/97/265376197.db2.gz JVVFHBBVLTYZRF-FVIAUOKHSA-N 2 2 334.891 3.397 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000269884836 266375193 /nfs/dbraw/zinc/37/51/93/266375193.db2.gz BARONCQAJLJODY-SFHVURJKSA-N 2 2 341.524 3.173 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000269884836 266375199 /nfs/dbraw/zinc/37/51/99/266375199.db2.gz BARONCQAJLJODY-SFHVURJKSA-N 2 2 341.524 3.173 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000273325040 267020659 /nfs/dbraw/zinc/02/06/59/267020659.db2.gz XOUAOTRREDUFDH-QLFBSQMISA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000273325040 267020663 /nfs/dbraw/zinc/02/06/63/267020663.db2.gz XOUAOTRREDUFDH-QLFBSQMISA-N 2 2 334.460 3.370 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[C@]12CCCO2 ZINC000274173474 267192823 /nfs/dbraw/zinc/19/28/23/267192823.db2.gz HYQYEJCRUXYSJJ-KCUHQSDYSA-N 2 2 341.455 3.250 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cn1 ZINC000274905832 267304073 /nfs/dbraw/zinc/30/40/73/267304073.db2.gz MCXLQULKMVNFJX-OAHLLOKOSA-N 2 2 345.874 3.418 20 0 EGADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000131830600 273516516 /nfs/dbraw/zinc/51/65/16/273516516.db2.gz ZOXDFXFQHFLOLM-KBPBESRZSA-N 2 2 340.899 3.018 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110819433 275181420 /nfs/dbraw/zinc/18/14/20/275181420.db2.gz ZHVKPYQDBNTAMB-MRXNPFEDSA-N 2 2 325.294 3.238 20 0 EGADLP Cn1cc([C@@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891184 275248206 /nfs/dbraw/zinc/24/82/06/275248206.db2.gz PVYCUHVLOSFGAT-OALUTQOASA-N 2 2 330.451 3.113 20 0 EGADLP Cn1cc([C@@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891184 275248207 /nfs/dbraw/zinc/24/82/07/275248207.db2.gz PVYCUHVLOSFGAT-OALUTQOASA-N 2 2 330.451 3.113 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000278613710 275259277 /nfs/dbraw/zinc/25/92/77/275259277.db2.gz GSWSSCNPHYXJTO-UHFFFAOYSA-N 2 2 340.423 3.205 20 0 EGADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278856277 275281415 /nfs/dbraw/zinc/28/14/15/275281415.db2.gz KTXUBKJYYYCMOY-ZDUSSCGKSA-N 2 2 341.459 3.420 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cncc(OCc2ccccc2)c1 ZINC000278935747 275289158 /nfs/dbraw/zinc/28/91/58/275289158.db2.gz WUILVFQYPYLRGY-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cncc(OCc2ccccc2)c1 ZINC000278935747 275289159 /nfs/dbraw/zinc/28/91/59/275289159.db2.gz WUILVFQYPYLRGY-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(Cl)c1 ZINC000279448584 275331850 /nfs/dbraw/zinc/33/18/50/275331850.db2.gz IBGWGEITJJUGLU-KRWDZBQOSA-N 2 2 349.837 3.166 20 0 EGADLP COC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC(C)CC1 ZINC000279665259 275347835 /nfs/dbraw/zinc/34/78/35/275347835.db2.gz GVGBDXNXXIFOLI-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000285457195 275878021 /nfs/dbraw/zinc/87/80/21/275878021.db2.gz MUMOHWNOWNDKHV-CQSZACIVSA-N 2 2 347.894 3.051 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000286262926 275972046 /nfs/dbraw/zinc/97/20/46/275972046.db2.gz GVWKKUCHFZXZJT-UKRRQHHQSA-N 2 2 331.847 3.188 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000287381086 276114131 /nfs/dbraw/zinc/11/41/31/276114131.db2.gz CCCVIRCLEMKPQA-UHFFFAOYSA-N 2 2 338.455 3.091 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cc[nH+]c1C)c1ccco1 ZINC000287421226 276118221 /nfs/dbraw/zinc/11/82/21/276118221.db2.gz FYSKRYHLGHDCIT-HNNXBMFYSA-N 2 2 330.432 3.496 20 0 EGADLP CCC(CC)(CNC(=O)CCc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000287591740 276137161 /nfs/dbraw/zinc/13/71/61/276137161.db2.gz WVPIMUUULOTSOT-INIZCTEOSA-N 2 2 342.487 3.368 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000287929423 276170019 /nfs/dbraw/zinc/17/00/19/276170019.db2.gz WQHYEGNRHBTYEK-FHLIZLRMSA-N 2 2 333.863 3.023 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000287929423 276170020 /nfs/dbraw/zinc/17/00/20/276170020.db2.gz WQHYEGNRHBTYEK-FHLIZLRMSA-N 2 2 333.863 3.023 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158955005 276198311 /nfs/dbraw/zinc/19/83/11/276198311.db2.gz OICXFCFZTCNCGJ-PKOBYXMFSA-N 2 2 344.499 3.115 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000289188462 276302005 /nfs/dbraw/zinc/30/20/05/276302005.db2.gz GRJNDDMIOJBVEJ-SFHVURJKSA-N 2 2 345.512 3.047 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Br)c1 ZINC000289651720 276372450 /nfs/dbraw/zinc/37/24/50/276372450.db2.gz LNBHKFXYUKQKJJ-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Br)c1 ZINC000289651720 276372451 /nfs/dbraw/zinc/37/24/51/276372451.db2.gz LNBHKFXYUKQKJJ-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000107371404 276387781 /nfs/dbraw/zinc/38/77/81/276387781.db2.gz OBVMSBJTBANUAZ-HOCLYGCPSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000107371404 276387782 /nfs/dbraw/zinc/38/77/82/276387782.db2.gz OBVMSBJTBANUAZ-HOCLYGCPSA-N 2 2 339.886 3.252 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(C2CCCCC2)C1=O ZINC000289751019 276388262 /nfs/dbraw/zinc/38/82/62/276388262.db2.gz PXYFWIWUGIWNAI-IBGZPJMESA-N 2 2 329.488 3.236 20 0 EGADLP COCc1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000290986596 276569729 /nfs/dbraw/zinc/56/97/29/276569729.db2.gz SKTNSSQSALCIEG-QZTJIDSGSA-N 2 2 349.475 3.002 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc3sccc3c2)CC1 ZINC000291074793 276585344 /nfs/dbraw/zinc/58/53/44/276585344.db2.gz SRWXUTKVGVZFGZ-UHFFFAOYSA-N 2 2 346.496 3.409 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122054093 277219604 /nfs/dbraw/zinc/21/96/04/277219604.db2.gz KUWAQEUAMIUQIR-FQEVSTJZSA-N 2 2 344.499 3.089 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCCn3cc[nH+]c31)CC2 ZINC000366450141 277855566 /nfs/dbraw/zinc/85/55/66/277855566.db2.gz OUYLNRWFLDHOOS-GOEBONIOSA-N 2 2 327.428 3.055 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000358151808 278231992 /nfs/dbraw/zinc/23/19/92/278231992.db2.gz GRPJSFJYSMJYEQ-KBPBESRZSA-N 2 2 330.394 3.467 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000121103727 279028004 /nfs/dbraw/zinc/02/80/04/279028004.db2.gz WJKOJYQPGJFZIA-ZDUSSCGKSA-N 2 2 330.457 3.020 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000121103727 279028006 /nfs/dbraw/zinc/02/80/06/279028006.db2.gz WJKOJYQPGJFZIA-ZDUSSCGKSA-N 2 2 330.457 3.020 20 0 EGADLP C[N@@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H]1Cc1ccccc1 ZINC000343654696 290058802 /nfs/dbraw/zinc/05/88/02/290058802.db2.gz UMVTYLPBDHTPND-HNNXBMFYSA-N 2 2 346.272 3.207 20 0 EGADLP C[N@H+]1CCN(c2cc[nH+]cc2Br)C[C@@H]1Cc1ccccc1 ZINC000343654696 290058805 /nfs/dbraw/zinc/05/88/05/290058805.db2.gz UMVTYLPBDHTPND-HNNXBMFYSA-N 2 2 346.272 3.207 20 0 EGADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000261553474 295232236 /nfs/dbraw/zinc/23/22/36/295232236.db2.gz SNKIZZRKFOCMIV-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000261553474 295232239 /nfs/dbraw/zinc/23/22/39/295232239.db2.gz SNKIZZRKFOCMIV-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP C[NH+](C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000066048460 307361343 /nfs/dbraw/zinc/36/13/43/307361343.db2.gz WQMLPNNOZDJBMT-GOSISDBHSA-N 2 2 338.386 3.253 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000067500840 307365953 /nfs/dbraw/zinc/36/59/53/307365953.db2.gz ZGABSXNURLOWMA-ZDUSSCGKSA-N 2 2 337.851 3.370 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000125601089 307557406 /nfs/dbraw/zinc/55/74/06/307557406.db2.gz VMEWGTHDYBWMLK-LPHOPBHVSA-N 2 2 349.438 3.101 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000414087070 309060300 /nfs/dbraw/zinc/06/03/00/309060300.db2.gz ZYEOLUZYWAKZBX-VQIMIIECSA-N 2 2 327.472 3.222 20 0 EGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000153161738 307767437 /nfs/dbraw/zinc/76/74/37/307767437.db2.gz BHBBZNXRUQLLDX-HUUCEWRRSA-N 2 2 342.430 3.215 20 0 EGADLP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000156669107 307836543 /nfs/dbraw/zinc/83/65/43/307836543.db2.gz GLTDTFPSWWYLFT-VQTJNVASSA-N 2 2 345.531 3.475 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897041 308077473 /nfs/dbraw/zinc/07/74/73/308077473.db2.gz GFZAONNFTQNZHV-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897041 308077474 /nfs/dbraw/zinc/07/74/74/308077474.db2.gz GFZAONNFTQNZHV-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897041 308077476 /nfs/dbraw/zinc/07/74/76/308077476.db2.gz GFZAONNFTQNZHV-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897041 308077478 /nfs/dbraw/zinc/07/74/78/308077478.db2.gz GFZAONNFTQNZHV-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971168 308085611 /nfs/dbraw/zinc/08/56/11/308085611.db2.gz WPWCYDXKEHOOLS-TZIWHRDSSA-N 2 2 346.515 3.197 20 0 EGADLP CC(C)O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971168 308085612 /nfs/dbraw/zinc/08/56/12/308085612.db2.gz WPWCYDXKEHOOLS-TZIWHRDSSA-N 2 2 346.515 3.197 20 0 EGADLP C[C@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCCCC1 ZINC000293822894 308165103 /nfs/dbraw/zinc/16/51/03/308165103.db2.gz DHFFUUXELKULET-AEFFLSMTSA-N 2 2 340.471 3.222 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000293880401 308170476 /nfs/dbraw/zinc/17/04/76/308170476.db2.gz VKQTUHOUUHNIOH-AOUGCYQESA-N 2 2 343.515 3.076 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000293880401 308170478 /nfs/dbraw/zinc/17/04/78/308170478.db2.gz VKQTUHOUUHNIOH-AOUGCYQESA-N 2 2 343.515 3.076 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000297787724 308563623 /nfs/dbraw/zinc/56/36/23/308563623.db2.gz WQEMHAODEORCKU-UHFFFAOYSA-N 2 2 326.419 3.463 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000414804351 309102611 /nfs/dbraw/zinc/10/26/11/309102611.db2.gz OQVJICUWFUPMTJ-SFHVURJKSA-N 2 2 343.858 3.419 20 0 EGADLP C[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000414835618 309104610 /nfs/dbraw/zinc/10/46/10/309104610.db2.gz VHIZRVWLQDASIX-UHFFFAOYSA-N 2 2 349.272 3.337 20 0 EGADLP CCC[NH+]1CCC(Nc2cc(CC)[nH+]c(-c3ccncc3)n2)CC1 ZINC000301181189 308690893 /nfs/dbraw/zinc/69/08/93/308690893.db2.gz PXUQEZFJWAFDKR-UHFFFAOYSA-N 2 2 325.460 3.387 20 0 EGADLP CCc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301503233 308702870 /nfs/dbraw/zinc/70/28/70/308702870.db2.gz BRZBEAFUMGTNMQ-DLBZAZTESA-N 2 2 325.460 3.386 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC1CC[NH+](C)CC1 ZINC000301713880 308712145 /nfs/dbraw/zinc/71/21/45/308712145.db2.gz FWIMZAQHAZPQFP-UHFFFAOYSA-N 2 2 327.428 3.226 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414841565 309104969 /nfs/dbraw/zinc/10/49/69/309104969.db2.gz NMQZSYFOLRSNFH-IBGZPJMESA-N 2 2 330.451 3.317 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(O)c1Br)C[NH+]1CCCCC1 ZINC000315094217 308765643 /nfs/dbraw/zinc/76/56/43/308765643.db2.gz VQNZPKOBGWCFRA-CYBMUJFWSA-N 2 2 341.293 3.366 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OCC ZINC000414845491 309105237 /nfs/dbraw/zinc/10/52/37/309105237.db2.gz MBASJEAAPHCYQE-AWEZNQCLSA-N 2 2 326.868 3.369 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000352184974 308885238 /nfs/dbraw/zinc/88/52/38/308885238.db2.gz YEEQNMSBMRBCRV-OAHLLOKOSA-N 2 2 338.521 3.234 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cs1 ZINC000411648700 308947098 /nfs/dbraw/zinc/94/70/98/308947098.db2.gz QBKGXPQVGKJGBY-UHFFFAOYSA-N 2 2 346.452 3.282 20 0 EGADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414865596 309106279 /nfs/dbraw/zinc/10/62/79/309106279.db2.gz DJZBDWKGXQZYLD-SFHVURJKSA-N 2 2 336.414 3.130 20 0 EGADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414868945 309106403 /nfs/dbraw/zinc/10/64/03/309106403.db2.gz QKJRSPQMUILATH-MRXNPFEDSA-N 2 2 338.480 3.442 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2sc(C)nc2C)cc1 ZINC000414877514 309106889 /nfs/dbraw/zinc/10/68/89/309106889.db2.gz GAWZVPDEMLLEOA-IAGOWNOFSA-N 2 2 331.485 3.004 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(F)ccc2C)cc1 ZINC000414894054 309107676 /nfs/dbraw/zinc/10/76/76/309107676.db2.gz YUXMIVUWHLUTKT-WOJBJXKFSA-N 2 2 328.431 3.378 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)cc2)cs1 ZINC000414937968 309110233 /nfs/dbraw/zinc/11/02/33/309110233.db2.gz VTSYVPBYOILKRF-ACJLOTCBSA-N 2 2 331.485 3.118 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000414945306 309110530 /nfs/dbraw/zinc/11/05/30/309110530.db2.gz PYSHJTKANXATMY-OAQYLSRUSA-N 2 2 340.467 3.124 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414953668 309111110 /nfs/dbraw/zinc/11/11/10/309111110.db2.gz JYUVGCWEWLDFSO-MRXNPFEDSA-N 2 2 326.488 3.313 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000414966323 309111966 /nfs/dbraw/zinc/11/19/66/309111966.db2.gz WIGFXSACEDSXJN-OAHLLOKOSA-N 2 2 341.455 3.035 20 0 EGADLP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415053145 309116760 /nfs/dbraw/zinc/11/67/60/309116760.db2.gz OESSZHKFBFVABR-DLBZAZTESA-N 2 2 336.357 3.430 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cncc(Br)c1 ZINC000415061371 309117511 /nfs/dbraw/zinc/11/75/11/309117511.db2.gz CNNMYSWROADQJZ-MRXNPFEDSA-N 2 2 334.261 3.196 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415103170 309120571 /nfs/dbraw/zinc/12/05/71/309120571.db2.gz CSOIRFCXQQUGOS-UKRRQHHQSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415103170 309120572 /nfs/dbraw/zinc/12/05/72/309120572.db2.gz CSOIRFCXQQUGOS-UKRRQHHQSA-N 2 2 331.485 3.235 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+]C3CCC(C[NH3+])CC3)c(C)c2)CC1 ZINC000415122932 309121857 /nfs/dbraw/zinc/12/18/57/309121857.db2.gz ORKBWXGIYXBONS-UHFFFAOYSA-N 3 2 330.520 3.066 20 0 EGADLP CC(C)([NH3+])CNC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415128431 309122384 /nfs/dbraw/zinc/12/23/84/309122384.db2.gz XSYJNVHBLAHZTR-UHFFFAOYSA-N 2 2 330.303 3.285 20 0 EGADLP C[C@](C[NH3+])(NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000415184398 309125166 /nfs/dbraw/zinc/12/51/66/309125166.db2.gz KFGZHVKUFZLOHO-GOSISDBHSA-N 2 2 326.400 3.123 20 0 EGADLP CC[N@H+](CCCNC(=O)Nc1ccccc1C[NH2+]C)c1ccccc1 ZINC000415906119 309147489 /nfs/dbraw/zinc/14/74/89/309147489.db2.gz WQWCPDUSGACXJO-UHFFFAOYSA-N 2 2 340.471 3.444 20 0 EGADLP CC[N@@H+](CCCNC(=O)Nc1ccccc1C[NH2+]C)c1ccccc1 ZINC000415906119 309147490 /nfs/dbraw/zinc/14/74/90/309147490.db2.gz WQWCPDUSGACXJO-UHFFFAOYSA-N 2 2 340.471 3.444 20 0 EGADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000416236151 309165019 /nfs/dbraw/zinc/16/50/19/309165019.db2.gz AFOCHUQBAUQARA-FUHWJXTLSA-N 2 2 340.471 3.023 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH+](C)C)CC1 ZINC000417353966 309202747 /nfs/dbraw/zinc/20/27/47/309202747.db2.gz KRKRFMQFWUAIPJ-NSHDSACASA-N 2 2 329.257 3.203 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)n1 ZINC000417790311 309222329 /nfs/dbraw/zinc/22/23/29/309222329.db2.gz IHELTHLKLLHTPJ-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n(C)n1 ZINC000417790311 309222330 /nfs/dbraw/zinc/22/23/30/309222330.db2.gz IHELTHLKLLHTPJ-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n(C)n1 ZINC000417790311 309222331 /nfs/dbraw/zinc/22/23/31/309222331.db2.gz IHELTHLKLLHTPJ-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n(C)n1 ZINC000417790311 309222332 /nfs/dbraw/zinc/22/23/32/309222332.db2.gz IHELTHLKLLHTPJ-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC([NH3+])CC1 ZINC000420276038 309279115 /nfs/dbraw/zinc/27/91/15/309279115.db2.gz QTLJPZBFQLWHIU-HNNXBMFYSA-N 2 2 339.439 3.229 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420358665 309284173 /nfs/dbraw/zinc/28/41/73/309284173.db2.gz FSQPQJADNGFWQF-NBOOPKSLSA-N 2 2 331.504 3.422 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cccc(Cl)c1Cl ZINC000420368283 309284541 /nfs/dbraw/zinc/28/45/41/309284541.db2.gz NMPVCYLYTZBQRO-YYHMBLRTSA-N 2 2 344.286 3.297 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000420373465 309284899 /nfs/dbraw/zinc/28/48/99/309284899.db2.gz ZGOVKQWYQKVHBF-SFHVURJKSA-N 2 2 331.504 3.315 20 0 EGADLP CCN(C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1cccc2ccccc21 ZINC000420375119 309285189 /nfs/dbraw/zinc/28/51/89/309285189.db2.gz SPPXFPLFQVOAJV-IBGZPJMESA-N 2 2 339.483 3.170 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420385756 309285666 /nfs/dbraw/zinc/28/56/66/309285666.db2.gz FHHHQSNOBICMAM-MAUKXSAKSA-N 2 2 325.456 3.123 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420385756 309285667 /nfs/dbraw/zinc/28/56/67/309285667.db2.gz FHHHQSNOBICMAM-MAUKXSAKSA-N 2 2 325.456 3.123 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420408901 309286988 /nfs/dbraw/zinc/28/69/88/309286988.db2.gz WKSCFEYIJBGOIP-RHSMWYFYSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420408901 309286989 /nfs/dbraw/zinc/28/69/89/309286989.db2.gz WKSCFEYIJBGOIP-RHSMWYFYSA-N 2 2 335.879 3.051 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416892 309287190 /nfs/dbraw/zinc/28/71/90/309287190.db2.gz WAGVTKBTEIHGAF-IPYPFGDCSA-N 2 2 348.878 3.292 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420416892 309287191 /nfs/dbraw/zinc/28/71/91/309287191.db2.gz WAGVTKBTEIHGAF-IPYPFGDCSA-N 2 2 348.878 3.292 20 0 EGADLP c1coc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420912736 309300655 /nfs/dbraw/zinc/30/06/55/309300655.db2.gz HYCJPIATEZDVET-LJQANCHMSA-N 2 2 326.440 3.449 20 0 EGADLP c1coc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420912736 309300656 /nfs/dbraw/zinc/30/06/56/309300656.db2.gz HYCJPIATEZDVET-LJQANCHMSA-N 2 2 326.440 3.449 20 0 EGADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000421706100 309335763 /nfs/dbraw/zinc/33/57/63/309335763.db2.gz UDDUPHCXIFVOPB-MRXNPFEDSA-N 2 2 325.412 3.040 20 0 EGADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000421706100 309335764 /nfs/dbraw/zinc/33/57/64/309335764.db2.gz UDDUPHCXIFVOPB-MRXNPFEDSA-N 2 2 325.412 3.040 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCc3cccnc3CC2)c[nH+]1 ZINC000421820887 309341416 /nfs/dbraw/zinc/34/14/16/309341416.db2.gz OGHFJJORTFXJEI-FQEVSTJZSA-N 2 2 332.451 3.364 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCc4cccnc4CC3)cc2)c[nH+]1 ZINC000421821578 309341443 /nfs/dbraw/zinc/34/14/43/309341443.db2.gz SDEYXXZWGBDTMU-FQEVSTJZSA-N 2 2 332.451 3.364 20 0 EGADLP Fc1cc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000423107953 309386250 /nfs/dbraw/zinc/38/62/50/309386250.db2.gz LREJSYBCINUCKP-ZACCUICWSA-N 2 2 331.204 3.100 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422692558 309363343 /nfs/dbraw/zinc/36/33/43/309363343.db2.gz KIXVOVKENQCLQE-GJZGRUSLSA-N 2 2 336.476 3.113 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422736078 309365865 /nfs/dbraw/zinc/36/58/65/309365865.db2.gz XCZZNHJONZQYGR-HRAATJIYSA-N 3 2 338.499 3.336 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422747692 309366563 /nfs/dbraw/zinc/36/65/63/309366563.db2.gz ZJYSYWPZAOJDPX-OXJNMPFZSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422747692 309366564 /nfs/dbraw/zinc/36/65/64/309366564.db2.gz ZJYSYWPZAOJDPX-OXJNMPFZSA-N 3 2 338.499 3.164 20 0 EGADLP C[C@H](NCc1[nH+]ccn1CCCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422827944 309370563 /nfs/dbraw/zinc/37/05/63/309370563.db2.gz FLDRJGDAEXEGML-PKOBYXMFSA-N 2 2 326.488 3.136 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423342538 309396148 /nfs/dbraw/zinc/39/61/48/309396148.db2.gz NFGCIZTYXLQVRD-QMTHXVAHSA-N 2 2 330.245 3.024 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422839998 309371371 /nfs/dbraw/zinc/37/13/71/309371371.db2.gz RVHZOEIDQQORSL-QIJUGHKUSA-N 2 2 338.495 3.370 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422851864 309372038 /nfs/dbraw/zinc/37/20/38/309372038.db2.gz XLHYGTVGLCNMGZ-HUUCEWRRSA-N 2 2 338.442 3.133 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422901652 309375118 /nfs/dbraw/zinc/37/51/18/309375118.db2.gz LJRPDDGAYUYMBY-YTQUADARSA-N 3 2 342.462 3.330 20 0 EGADLP Cc1sc(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000422932092 309376761 /nfs/dbraw/zinc/37/67/61/309376761.db2.gz YTIKFNAZLDAPQY-WMLDXEAASA-N 2 2 345.512 3.018 20 0 EGADLP CC(C)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@@H+]1CCc2ccccc2C1 ZINC000422934890 309377018 /nfs/dbraw/zinc/37/70/18/309377018.db2.gz GPYJYOQVSUWFDG-KKSFZXQISA-N 2 2 338.499 3.228 20 0 EGADLP CC(C)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@H+]1CCc2ccccc2C1 ZINC000422934890 309377019 /nfs/dbraw/zinc/37/70/19/309377019.db2.gz GPYJYOQVSUWFDG-KKSFZXQISA-N 2 2 338.499 3.228 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939418 309377154 /nfs/dbraw/zinc/37/71/54/309377154.db2.gz RLQKTGZOOCJNKC-HKUYNNGSSA-N 2 2 340.467 3.089 20 0 EGADLP CC[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422977664 309379319 /nfs/dbraw/zinc/37/93/19/309379319.db2.gz XEKKTDBHEAWPCX-OALUTQOASA-N 2 2 325.456 3.281 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000422999827 309380113 /nfs/dbraw/zinc/38/01/13/309380113.db2.gz SXWOZFHMTMQKQK-FVCZOJIISA-N 2 2 332.488 3.042 20 0 EGADLP FC(F)COc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423028249 309381899 /nfs/dbraw/zinc/38/18/99/309381899.db2.gz SLBQINLJNOKUEA-IAGOWNOFSA-N 2 2 347.409 3.308 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423029746 309381906 /nfs/dbraw/zinc/38/19/06/309381906.db2.gz VIHWSHBRTCVPHW-DTTOXWODSA-N 3 2 339.886 3.189 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423029746 309381907 /nfs/dbraw/zinc/38/19/07/309381907.db2.gz VIHWSHBRTCVPHW-DTTOXWODSA-N 3 2 339.886 3.189 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423042533 309382561 /nfs/dbraw/zinc/38/25/61/309382561.db2.gz LDYGFDDTJIUCGL-DCGLDWPTSA-N 2 2 325.859 3.178 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423049568 309383031 /nfs/dbraw/zinc/38/30/31/309383031.db2.gz KFJAGFXTIDDOMB-WMZOPIPTSA-N 2 2 342.483 3.484 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CCO2 ZINC000423050573 309383122 /nfs/dbraw/zinc/38/31/22/309383122.db2.gz MKJFGLPJYHUAKR-JVPBZIDWSA-N 2 2 326.440 3.067 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423061013 309383824 /nfs/dbraw/zinc/38/38/24/309383824.db2.gz JPXTXYIAZKMWOH-HOCLYGCPSA-N 2 2 338.442 3.133 20 0 EGADLP C[C@@H]([NH2+][C@H]1CSc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000423083075 309385011 /nfs/dbraw/zinc/38/50/11/309385011.db2.gz GDJWXWSLTVYSSP-WQAKAFBOSA-N 2 2 327.291 3.326 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085463 309385166 /nfs/dbraw/zinc/38/51/66/309385166.db2.gz KQKGCZYBHUOKOK-HBGVWJBISA-N 2 2 349.478 3.000 20 0 EGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423107296 309386228 /nfs/dbraw/zinc/38/62/28/309386228.db2.gz KNXUSCUJHFNQMC-XPTSAGLGSA-N 2 2 333.220 3.205 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423108996 309386377 /nfs/dbraw/zinc/38/63/77/309386377.db2.gz MZMKPEJYUYYNAU-JTQLQIEISA-N 2 2 341.333 3.252 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)sc1Br ZINC000423163913 309388870 /nfs/dbraw/zinc/38/88/70/309388870.db2.gz WCFDYWLELBHHDO-QJPTWQEYSA-N 2 2 344.322 3.224 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177609 309389350 /nfs/dbraw/zinc/38/93/50/309389350.db2.gz AYLSVSJYDNCWBY-QMTHXVAHSA-N 2 2 329.669 3.431 20 0 EGADLP CC[NH2+]CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423245899 309392153 /nfs/dbraw/zinc/39/21/53/309392153.db2.gz MQDJIOVXIMRYHW-HZMBPMFUSA-N 2 2 329.307 3.431 20 0 EGADLP COc1ccc(C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccc(OC)cc2)cc1 ZINC000423242423 309392074 /nfs/dbraw/zinc/39/20/74/309392074.db2.gz VPMYGANTXGQFAC-GHTZIAJQSA-N 2 2 340.467 3.329 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)nnn1-c1ccccc1 ZINC000423263518 309393025 /nfs/dbraw/zinc/39/30/25/309393025.db2.gz OREIBNBHWFOQKF-KSSFIOAISA-N 2 2 327.476 3.134 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)[NH3+])C(C)C)c(Br)c1 ZINC000423281825 309393883 /nfs/dbraw/zinc/39/38/83/309393883.db2.gz BXPBULCJHOJHKX-AWEZNQCLSA-N 2 2 329.282 3.482 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423284081 309394003 /nfs/dbraw/zinc/39/40/03/309394003.db2.gz XPVKZYHOBSPNPJ-DOIPELPJSA-N 3 2 329.532 3.250 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423284081 309394004 /nfs/dbraw/zinc/39/40/04/309394004.db2.gz XPVKZYHOBSPNPJ-DOIPELPJSA-N 3 2 329.532 3.250 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423312628 309394801 /nfs/dbraw/zinc/39/48/01/309394801.db2.gz SEPYKMOKOXRTRX-CQSZACIVSA-N 2 2 327.266 3.252 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320790 309395199 /nfs/dbraw/zinc/39/51/99/309395199.db2.gz DSSBDUKPMGOYGG-GUYCJALGSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320790 309395200 /nfs/dbraw/zinc/39/52/00/309395200.db2.gz DSSBDUKPMGOYGG-GUYCJALGSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320788 309395227 /nfs/dbraw/zinc/39/52/27/309395227.db2.gz DSSBDUKPMGOYGG-CXAGYDPISA-N 2 2 344.484 3.014 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320788 309395228 /nfs/dbraw/zinc/39/52/28/309395228.db2.gz DSSBDUKPMGOYGG-CXAGYDPISA-N 2 2 344.484 3.014 20 0 EGADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423334840 309395764 /nfs/dbraw/zinc/39/57/64/309395764.db2.gz SSFKDTHCWHPGMM-SFYZADRCSA-N 2 2 325.172 3.466 20 0 EGADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000423351459 309396604 /nfs/dbraw/zinc/39/66/04/309396604.db2.gz ICYOTPOWBBBIOK-YOEHRIQHSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423397238 309398651 /nfs/dbraw/zinc/39/86/51/309398651.db2.gz UMBPRCMOUJBZSX-KSSFIOAISA-N 2 2 344.503 3.399 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CCC[NH2+]1 ZINC000423409773 309399028 /nfs/dbraw/zinc/39/90/28/309399028.db2.gz CEOGTLGPMHGCCG-QUCCMNQESA-N 2 2 327.472 3.212 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000423415640 309399204 /nfs/dbraw/zinc/39/92/04/309399204.db2.gz DZUHXGRSQRLGRU-ABAIWWIYSA-N 2 2 345.256 3.007 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CCC[NH2+]1 ZINC000423414627 309399337 /nfs/dbraw/zinc/39/93/37/309399337.db2.gz CKNVRVYOEOZARW-OXJNMPFZSA-N 2 2 325.456 3.168 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423424982 309399978 /nfs/dbraw/zinc/39/99/78/309399978.db2.gz MBXWIFKNOIVCMY-MOPGFXCFSA-N 2 2 338.451 3.168 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000423440633 309400686 /nfs/dbraw/zinc/40/06/86/309400686.db2.gz VTBSBMSKMKSJLV-BZNIZROVSA-N 2 2 348.821 3.361 20 0 EGADLP Cc1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423492078 309402871 /nfs/dbraw/zinc/40/28/71/309402871.db2.gz LNFXMIFTFZPMAT-VQTJNVASSA-N 2 2 328.431 3.192 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496805 309403015 /nfs/dbraw/zinc/40/30/15/309403015.db2.gz XRWYDDCDXDQOGF-DOTOQJQBSA-N 2 2 340.895 3.404 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423541761 309405757 /nfs/dbraw/zinc/40/57/57/309405757.db2.gz AVGCRIBRCQIRFR-IXDOHACOSA-N 2 2 342.405 3.310 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000424380594 309441197 /nfs/dbraw/zinc/44/11/97/309441197.db2.gz XFDQYMZCRSKPTE-MGPQQGTHSA-N 2 2 327.241 3.435 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000425917251 309494562 /nfs/dbraw/zinc/49/45/62/309494562.db2.gz GMHJFPBREWIINQ-QWHCGFSZSA-N 2 2 335.883 3.077 20 0 EGADLP CC[NH+](CC)CCN(Cc1ccccc1)Cc1cc(OC)cc[nH+]1 ZINC000427600742 309532012 /nfs/dbraw/zinc/53/20/12/309532012.db2.gz VKAYUFWNMHNRSC-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000427856506 309537182 /nfs/dbraw/zinc/53/71/82/309537182.db2.gz GFRZKNNOZAQGQG-ZYHUDNBSSA-N 2 2 325.334 3.289 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428891900 309563807 /nfs/dbraw/zinc/56/38/07/309563807.db2.gz ZKCYHZHHONLGGJ-UHFFFAOYSA-N 2 2 337.464 3.026 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000430579756 309611685 /nfs/dbraw/zinc/61/16/85/309611685.db2.gz CWIJLUVYOIWCRL-FQEVSTJZSA-N 2 2 339.439 3.134 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449032279 310031223 /nfs/dbraw/zinc/03/12/23/310031223.db2.gz WUHDMCBJUDMSKR-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449032279 310031224 /nfs/dbraw/zinc/03/12/24/310031224.db2.gz WUHDMCBJUDMSKR-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC1 ZINC000449102083 310037153 /nfs/dbraw/zinc/03/71/53/310037153.db2.gz ILECQIGBSPTCGB-FQEVSTJZSA-N 2 2 332.488 3.066 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449112274 310038018 /nfs/dbraw/zinc/03/80/18/310038018.db2.gz QFFSMBPGWIOOGN-ZWKOTPCHSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449112274 310038019 /nfs/dbraw/zinc/03/80/19/310038019.db2.gz QFFSMBPGWIOOGN-ZWKOTPCHSA-N 2 2 335.536 3.022 20 0 EGADLP Fc1cnccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000449333586 310054416 /nfs/dbraw/zinc/05/44/16/310054416.db2.gz HEKQSSUNHGWTIV-HKUYNNGSSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000449333586 310054417 /nfs/dbraw/zinc/05/44/17/310054417.db2.gz HEKQSSUNHGWTIV-HKUYNNGSSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000449333586 310054418 /nfs/dbraw/zinc/05/44/18/310054418.db2.gz HEKQSSUNHGWTIV-HKUYNNGSSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000449333586 310054419 /nfs/dbraw/zinc/05/44/19/310054419.db2.gz HEKQSSUNHGWTIV-HKUYNNGSSA-N 2 2 325.431 3.175 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345642 310055456 /nfs/dbraw/zinc/05/54/56/310055456.db2.gz WJBVIMYDALXJLP-FQEVSTJZSA-N 2 2 330.472 3.156 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345642 310055457 /nfs/dbraw/zinc/05/54/57/310055457.db2.gz WJBVIMYDALXJLP-FQEVSTJZSA-N 2 2 330.472 3.156 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345642 310055458 /nfs/dbraw/zinc/05/54/58/310055458.db2.gz WJBVIMYDALXJLP-FQEVSTJZSA-N 2 2 330.472 3.156 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345642 310055459 /nfs/dbraw/zinc/05/54/59/310055459.db2.gz WJBVIMYDALXJLP-FQEVSTJZSA-N 2 2 330.472 3.156 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388923 310058176 /nfs/dbraw/zinc/05/81/76/310058176.db2.gz QVWVIJZCWOCDSN-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388923 310058177 /nfs/dbraw/zinc/05/81/77/310058177.db2.gz QVWVIJZCWOCDSN-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388234 310058297 /nfs/dbraw/zinc/05/82/97/310058297.db2.gz ORNZURSSDOMSHN-RHSMWYFYSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388234 310058298 /nfs/dbraw/zinc/05/82/98/310058298.db2.gz ORNZURSSDOMSHN-RHSMWYFYSA-N 2 2 344.421 3.245 20 0 EGADLP OC[C@@H]([C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513045 310068269 /nfs/dbraw/zinc/06/82/69/310068269.db2.gz VCYXCYWOFWVENY-PWRODBHTSA-N 2 2 328.500 3.038 20 0 EGADLP OC[C@@H]([C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513045 310068270 /nfs/dbraw/zinc/06/82/70/310068270.db2.gz VCYXCYWOFWVENY-PWRODBHTSA-N 2 2 328.500 3.038 20 0 EGADLP CO[C@H]1C[C@@H]([N@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630127 310076246 /nfs/dbraw/zinc/07/62/46/310076246.db2.gz HCQMRFBVHFSUCW-SJORKVTESA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@H]1C[C@@H]([N@@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630127 310076247 /nfs/dbraw/zinc/07/62/47/310076247.db2.gz HCQMRFBVHFSUCW-SJORKVTESA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@H]1C[C@@H]([NH+](C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C12CCC2 ZINC000449630127 310076248 /nfs/dbraw/zinc/07/62/48/310076248.db2.gz HCQMRFBVHFSUCW-SJORKVTESA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@H]1C[C@@H]([NH+](C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C12CCC2 ZINC000449630127 310076249 /nfs/dbraw/zinc/07/62/49/310076249.db2.gz HCQMRFBVHFSUCW-SJORKVTESA-N 2 2 349.544 3.299 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c[nH+]1 ZINC000449645321 310077294 /nfs/dbraw/zinc/07/72/94/310077294.db2.gz JQCRKFYQDDIRNO-DLBZAZTESA-N 2 2 337.467 3.279 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)c[nH+]1 ZINC000449656846 310077953 /nfs/dbraw/zinc/07/79/53/310077953.db2.gz MOTNYKITPLSILR-QYZOEREBSA-N 2 2 342.487 3.306 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2c(F)cccc2-n2cccn2)CC1 ZINC000449691592 310081156 /nfs/dbraw/zinc/08/11/56/310081156.db2.gz XENJUGKGVHHCRX-UHFFFAOYSA-N 2 2 330.451 3.364 20 0 EGADLP C[N@H+](Cc1cnn(C(C)(C)C)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785335 310087151 /nfs/dbraw/zinc/08/71/51/310087151.db2.gz FQQXMWQONRXUBN-UHFFFAOYSA-N 2 2 346.441 3.487 20 0 EGADLP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449785335 310087152 /nfs/dbraw/zinc/08/71/52/310087152.db2.gz FQQXMWQONRXUBN-UHFFFAOYSA-N 2 2 346.441 3.487 20 0 EGADLP FC(F)(F)c1ccc2c(cc[nH+]c2N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000450452662 310123566 /nfs/dbraw/zinc/12/35/66/310123566.db2.gz NASAWAPJGZJMPJ-ZDUSSCGKSA-N 2 2 332.329 3.299 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](CCc2c(Cl)cccc2Cl)CC1 ZINC000450604672 310132837 /nfs/dbraw/zinc/13/28/37/310132837.db2.gz XGFJKSAZWQAPPR-UHFFFAOYSA-N 2 2 339.270 3.092 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418228 310177338 /nfs/dbraw/zinc/17/73/38/310177338.db2.gz IXGZNBBGKYLHNG-ZCNNSNEGSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418228 310177339 /nfs/dbraw/zinc/17/73/39/310177339.db2.gz IXGZNBBGKYLHNG-ZCNNSNEGSA-N 2 2 325.456 3.306 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274503 310268655 /nfs/dbraw/zinc/26/86/55/310268655.db2.gz WIVGREMSWUTKAM-BLLLJJGKSA-N 2 2 343.298 3.417 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274503 310268656 /nfs/dbraw/zinc/26/86/56/310268656.db2.gz WIVGREMSWUTKAM-BLLLJJGKSA-N 2 2 343.298 3.417 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000453395382 310274622 /nfs/dbraw/zinc/27/46/22/310274622.db2.gz JOYXECADQKVJKS-YLJYHZDGSA-N 2 2 331.504 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000453395382 310274623 /nfs/dbraw/zinc/27/46/23/310274623.db2.gz JOYXECADQKVJKS-YLJYHZDGSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000454311005 310302781 /nfs/dbraw/zinc/30/27/81/310302781.db2.gz CAXYHZRJLUHAQX-KRWDZBQOSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000454311005 310302782 /nfs/dbraw/zinc/30/27/82/310302782.db2.gz CAXYHZRJLUHAQX-KRWDZBQOSA-N 2 2 332.492 3.152 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H](C)c2[nH+]ccn2CC)C1 ZINC000454482506 310312182 /nfs/dbraw/zinc/31/21/82/310312182.db2.gz JGQXVKAHOLOOQH-HZPDHXFCSA-N 2 2 349.523 3.164 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)c2[nH+]ccn2CC)C1 ZINC000454482506 310312183 /nfs/dbraw/zinc/31/21/83/310312183.db2.gz JGQXVKAHOLOOQH-HZPDHXFCSA-N 2 2 349.523 3.164 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)CC(C)C ZINC000454612815 310320054 /nfs/dbraw/zinc/32/00/54/310320054.db2.gz HUNGKBYZLDJOFM-GOSISDBHSA-N 2 2 334.508 3.254 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000470516457 310723541 /nfs/dbraw/zinc/72/35/41/310723541.db2.gz RADHXPHZWQFMEH-UHFFFAOYSA-N 2 2 331.847 3.244 20 0 EGADLP CCC[C@H](CC1CCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482024981 310925074 /nfs/dbraw/zinc/92/50/74/310925074.db2.gz HVZYGKMJSDCJDS-GOSISDBHSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524730 311027139 /nfs/dbraw/zinc/02/71/39/311027139.db2.gz STJXHIYGHNKWQZ-KSSFIOAISA-N 2 2 338.455 3.023 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524730 311027141 /nfs/dbraw/zinc/02/71/41/311027141.db2.gz STJXHIYGHNKWQZ-KSSFIOAISA-N 2 2 338.455 3.023 20 0 EGADLP COc1ncccc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000488113401 311051888 /nfs/dbraw/zinc/05/18/88/311051888.db2.gz RGMDMNSMJQSZOH-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ncccc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000488113401 311051889 /nfs/dbraw/zinc/05/18/89/311051889.db2.gz RGMDMNSMJQSZOH-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP O=C(/C=C/c1nc2ccccc2o1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491842378 311191417 /nfs/dbraw/zinc/19/14/17/311191417.db2.gz FPTDKTRCZPAJDK-AATRIKPKSA-N 2 2 331.335 3.060 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2cccc(N3CCOC3=O)c2)c[nH+]1 ZINC000492150133 311221366 /nfs/dbraw/zinc/22/13/66/311221366.db2.gz MNMNCXWLWIXPKC-UHFFFAOYSA-N 2 2 325.412 3.069 20 0 EGADLP Fc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492240774 311229100 /nfs/dbraw/zinc/22/91/00/311229100.db2.gz NPNSQQARCCGVJV-KRWDZBQOSA-N 2 2 336.414 3.380 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000492751682 311287078 /nfs/dbraw/zinc/28/70/78/311287078.db2.gz YUAMLAJNGWROJG-WBVHZDCISA-N 2 2 349.519 3.159 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000492751682 311287079 /nfs/dbraw/zinc/28/70/79/311287079.db2.gz YUAMLAJNGWROJG-WBVHZDCISA-N 2 2 349.519 3.159 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000492884356 311302939 /nfs/dbraw/zinc/30/29/39/311302939.db2.gz UFSCRPNFJATXTN-UHFFFAOYSA-N 2 2 348.491 3.236 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000492922707 311307422 /nfs/dbraw/zinc/30/74/22/311307422.db2.gz GQUQXKYTRMDVDS-JJEJIETFSA-N 2 2 346.862 3.276 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000492922707 311307423 /nfs/dbraw/zinc/30/74/23/311307423.db2.gz GQUQXKYTRMDVDS-JJEJIETFSA-N 2 2 346.862 3.276 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](CCc4cccs4)CC3)n2c1 ZINC000507093242 312058265 /nfs/dbraw/zinc/05/82/65/312058265.db2.gz JGLCCHYAGSYEQP-UHFFFAOYSA-N 2 2 340.496 3.065 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCOC1 ZINC000507466293 312073935 /nfs/dbraw/zinc/07/39/35/312073935.db2.gz CJKQOMYLTUDKNT-SJORKVTESA-N 2 2 326.550 3.143 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722202 312100966 /nfs/dbraw/zinc/10/09/66/312100966.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722202 312100968 /nfs/dbraw/zinc/10/09/68/312100968.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722202 312100971 /nfs/dbraw/zinc/10/09/71/312100971.db2.gz RLASPVPVOSFYOW-SESVDKBCSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510736171 312147077 /nfs/dbraw/zinc/14/70/77/312147077.db2.gz QFFGWMDCRLLEOQ-JKSUJKDBSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510736171 312147078 /nfs/dbraw/zinc/14/70/78/312147078.db2.gz QFFGWMDCRLLEOQ-JKSUJKDBSA-N 2 2 340.458 3.232 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000513377531 312208563 /nfs/dbraw/zinc/20/85/63/312208563.db2.gz MIJOFQVQTATWNQ-MOPGFXCFSA-N 2 2 334.529 3.043 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000516817520 312342841 /nfs/dbraw/zinc/34/28/41/312342841.db2.gz AARMSOGXPUEXFG-CYBMUJFWSA-N 2 2 331.287 3.273 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000516817520 312342843 /nfs/dbraw/zinc/34/28/43/312342843.db2.gz AARMSOGXPUEXFG-CYBMUJFWSA-N 2 2 331.287 3.273 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](c3ccnn3C)C1)CCC2 ZINC000517582719 312384835 /nfs/dbraw/zinc/38/48/35/312384835.db2.gz UJOSWFIRULUFLF-IXDOHACOSA-N 2 2 327.476 3.118 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000087787623 454088782 /nfs/dbraw/zinc/08/87/82/454088782.db2.gz BJMAQAPMCFQTKZ-LBPRGKRZSA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000087787623 454088785 /nfs/dbraw/zinc/08/87/85/454088785.db2.gz BJMAQAPMCFQTKZ-LBPRGKRZSA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000087788246 454088813 /nfs/dbraw/zinc/08/88/13/454088813.db2.gz IFTIWGUZVURAEM-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)c(Br)cc1F ZINC000527843095 312955675 /nfs/dbraw/zinc/95/56/75/312955675.db2.gz CGJYLUNGISUDLT-SECBINFHSA-N 2 2 330.176 3.275 20 0 EGADLP CC(C)[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000528640238 313135437 /nfs/dbraw/zinc/13/54/37/313135437.db2.gz LFJXEMRFOMHUKW-OAQYLSRUSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000528640238 313135442 /nfs/dbraw/zinc/13/54/42/313135442.db2.gz LFJXEMRFOMHUKW-OAQYLSRUSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000528640238 313135445 /nfs/dbraw/zinc/13/54/45/313135445.db2.gz LFJXEMRFOMHUKW-OAQYLSRUSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000528640238 313135448 /nfs/dbraw/zinc/13/54/48/313135448.db2.gz LFJXEMRFOMHUKW-OAQYLSRUSA-N 2 2 340.515 3.195 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528679094 313145565 /nfs/dbraw/zinc/14/55/65/313145565.db2.gz HDQZHBYVHCOGBI-QGZVFWFLSA-N 2 2 338.411 3.280 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)cc2n1C ZINC000529715782 313395018 /nfs/dbraw/zinc/39/50/18/313395018.db2.gz KIQXXQOIBHYUIS-KRWDZBQOSA-N 2 2 340.471 3.019 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)cc2n1C ZINC000529715782 313395020 /nfs/dbraw/zinc/39/50/20/313395020.db2.gz KIQXXQOIBHYUIS-KRWDZBQOSA-N 2 2 340.471 3.019 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178065 313491413 /nfs/dbraw/zinc/49/14/13/313491413.db2.gz NYKGGCUFUZSWMT-SFHVURJKSA-N 2 2 328.435 3.002 20 0 EGADLP Clc1ccc2nc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cn2c1 ZINC000534862243 314003063 /nfs/dbraw/zinc/00/30/63/314003063.db2.gz JACHADXBCJXXSG-UHFFFAOYSA-N 2 2 341.846 3.459 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000535312654 314040206 /nfs/dbraw/zinc/04/02/06/314040206.db2.gz HBBASMCNPLKGOG-HNNXBMFYSA-N 2 2 338.411 3.073 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)co2)cc1 ZINC000535312654 314040208 /nfs/dbraw/zinc/04/02/08/314040208.db2.gz HBBASMCNPLKGOG-HNNXBMFYSA-N 2 2 338.411 3.073 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536371973 314109616 /nfs/dbraw/zinc/10/96/16/314109616.db2.gz TWVPKFJEXOFFJF-MRXNPFEDSA-N 2 2 338.455 3.294 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536698523 314139821 /nfs/dbraw/zinc/13/98/21/314139821.db2.gz PEBAVYOPJUYCPM-QGZVFWFLSA-N 2 2 339.483 3.407 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536698523 314139824 /nfs/dbraw/zinc/13/98/24/314139824.db2.gz PEBAVYOPJUYCPM-QGZVFWFLSA-N 2 2 339.483 3.407 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000536698523 314139827 /nfs/dbraw/zinc/13/98/27/314139827.db2.gz PEBAVYOPJUYCPM-QGZVFWFLSA-N 2 2 339.483 3.407 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000536698523 314139831 /nfs/dbraw/zinc/13/98/31/314139831.db2.gz PEBAVYOPJUYCPM-QGZVFWFLSA-N 2 2 339.483 3.407 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000537296731 314172856 /nfs/dbraw/zinc/17/28/56/314172856.db2.gz WYQLKEZJUUXSJU-HOTGVXAUSA-N 2 2 330.472 3.411 20 0 EGADLP C[N@H+]1CC=C(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000538353972 314242115 /nfs/dbraw/zinc/24/21/15/314242115.db2.gz PFQGGCQMCHZFMF-UHFFFAOYSA-N 2 2 338.411 3.257 20 0 EGADLP C[N@@H+]1CC=C(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000538353972 314242118 /nfs/dbraw/zinc/24/21/18/314242118.db2.gz PFQGGCQMCHZFMF-UHFFFAOYSA-N 2 2 338.411 3.257 20 0 EGADLP OC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)cc1 ZINC000539855457 314345479 /nfs/dbraw/zinc/34/54/79/314345479.db2.gz WBHNQWFUBWRZTN-HNNXBMFYSA-N 2 2 335.329 3.176 20 0 EGADLP CCc1cc(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nc(C)[nH+]1 ZINC000542007259 314512036 /nfs/dbraw/zinc/51/20/36/314512036.db2.gz FMHGFTGSWXOHFB-CQSZACIVSA-N 2 2 326.444 3.484 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)CC3 ZINC000547309982 314886930 /nfs/dbraw/zinc/88/69/30/314886930.db2.gz WPCUJQNMUYZLEV-JKSUJKDBSA-N 2 2 341.499 3.498 20 0 EGADLP Cn1cc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2ccc(F)cc2)cn1 ZINC000547507382 314910754 /nfs/dbraw/zinc/91/07/54/314910754.db2.gz IXKASCGKJJJGEL-HXUWFJFHSA-N 2 2 342.462 3.113 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904906 315061450 /nfs/dbraw/zinc/06/14/50/315061450.db2.gz DEAPFQUSJOPBMI-OAHLLOKOSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904906 315061455 /nfs/dbraw/zinc/06/14/55/315061455.db2.gz DEAPFQUSJOPBMI-OAHLLOKOSA-N 2 2 337.423 3.088 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549115068 315076309 /nfs/dbraw/zinc/07/63/09/315076309.db2.gz INTQJNBBZPEQDM-MRXNPFEDSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549115068 315076313 /nfs/dbraw/zinc/07/63/13/315076313.db2.gz INTQJNBBZPEQDM-MRXNPFEDSA-N 2 2 339.439 3.477 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)c2ccccc21 ZINC000549232964 315082903 /nfs/dbraw/zinc/08/29/03/315082903.db2.gz MDKZCXNQYQLMQH-KFKAGJAMSA-N 2 2 330.472 3.100 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)c2ccccc21 ZINC000549232964 315082905 /nfs/dbraw/zinc/08/29/05/315082905.db2.gz MDKZCXNQYQLMQH-KFKAGJAMSA-N 2 2 330.472 3.100 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCC1 ZINC000549816798 315106230 /nfs/dbraw/zinc/10/62/30/315106230.db2.gz ABLLPEHRPCRXCP-CQSZACIVSA-N 2 2 337.305 3.380 20 0 EGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000551598327 315160821 /nfs/dbraw/zinc/16/08/21/315160821.db2.gz YLDWPGNXWIBRJY-LJQANCHMSA-N 2 2 332.875 3.409 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000552044090 315192556 /nfs/dbraw/zinc/19/25/56/315192556.db2.gz PQOUXGCOWDDARR-GOSISDBHSA-N 2 2 331.504 3.323 20 0 EGADLP COc1ncc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1Cl ZINC000552269806 315210316 /nfs/dbraw/zinc/21/03/16/315210316.db2.gz RNHXZLBLQFMKPL-UHFFFAOYSA-N 2 2 337.851 3.291 20 0 EGADLP COc1ncc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1Cl ZINC000552269806 315210319 /nfs/dbraw/zinc/21/03/19/315210319.db2.gz RNHXZLBLQFMKPL-UHFFFAOYSA-N 2 2 337.851 3.291 20 0 EGADLP COc1ncc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1Cl ZINC000552269806 315210321 /nfs/dbraw/zinc/21/03/21/315210321.db2.gz RNHXZLBLQFMKPL-UHFFFAOYSA-N 2 2 337.851 3.291 20 0 EGADLP COc1ncc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1Cl ZINC000552269806 315210324 /nfs/dbraw/zinc/21/03/24/315210324.db2.gz RNHXZLBLQFMKPL-UHFFFAOYSA-N 2 2 337.851 3.291 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000563759760 316064886 /nfs/dbraw/zinc/06/48/86/316064886.db2.gz UEVSXAHDIBVAND-QUCCMNQESA-N 3 2 326.488 3.306 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000563759760 316064890 /nfs/dbraw/zinc/06/48/90/316064890.db2.gz UEVSXAHDIBVAND-QUCCMNQESA-N 3 2 326.488 3.306 20 0 EGADLP C[C@H]1[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000563786152 316068465 /nfs/dbraw/zinc/06/84/65/316068465.db2.gz GKVXQRQDUVAESG-YJBOKZPZSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@H]1[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000563786152 316068468 /nfs/dbraw/zinc/06/84/68/316068468.db2.gz GKVXQRQDUVAESG-YJBOKZPZSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@@H](Nc1[nH+]c2cccc(F)c2n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000564584624 316171314 /nfs/dbraw/zinc/17/13/14/316171314.db2.gz WVUVABOTLQTFOT-CXAGYDPISA-N 2 2 326.419 3.238 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])ccc2n1C1CC1 ZINC000564937740 316235846 /nfs/dbraw/zinc/23/58/46/316235846.db2.gz PBFPCQNNOUAXPN-RDJZCZTQSA-N 2 2 340.471 3.203 20 0 EGADLP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCc3occc32)c2ccccc2)CC1 ZINC000566080181 316413041 /nfs/dbraw/zinc/41/30/41/316413041.db2.gz IDUFJSRRGDSTAY-PMACEKPBSA-N 2 2 339.483 3.235 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000567464402 316621978 /nfs/dbraw/zinc/62/19/78/316621978.db2.gz RILVSFXEVXGCJM-OHTSDLOESA-N 2 2 331.504 3.138 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149496 317014281 /nfs/dbraw/zinc/01/42/81/317014281.db2.gz OSVUOJUQQLUSEH-RDJZCZTQSA-N 2 2 344.434 3.148 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149496 317014285 /nfs/dbraw/zinc/01/42/85/317014285.db2.gz OSVUOJUQQLUSEH-RDJZCZTQSA-N 2 2 344.434 3.148 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335658 317041351 /nfs/dbraw/zinc/04/13/51/317041351.db2.gz KGFZYMDTPHTCOD-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335658 317041355 /nfs/dbraw/zinc/04/13/55/317041355.db2.gz KGFZYMDTPHTCOD-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335658 317041360 /nfs/dbraw/zinc/04/13/60/317041360.db2.gz KGFZYMDTPHTCOD-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cn(C)nc3C)C2)s1 ZINC000570335658 317041364 /nfs/dbraw/zinc/04/13/64/317041364.db2.gz KGFZYMDTPHTCOD-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000570419893 317053750 /nfs/dbraw/zinc/05/37/50/317053750.db2.gz OKUMVHICZSHHCI-WSTZPKSXSA-N 2 2 345.531 3.039 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000570419893 317053756 /nfs/dbraw/zinc/05/37/56/317053756.db2.gz OKUMVHICZSHHCI-WSTZPKSXSA-N 2 2 345.531 3.039 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462598 317059245 /nfs/dbraw/zinc/05/92/45/317059245.db2.gz IOKDSEUDDKSQQV-MAUKXSAKSA-N 2 2 336.439 3.223 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462598 317059248 /nfs/dbraw/zinc/05/92/48/317059248.db2.gz IOKDSEUDDKSQQV-MAUKXSAKSA-N 2 2 336.439 3.223 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000570817541 317113265 /nfs/dbraw/zinc/11/32/65/317113265.db2.gz FQGJKPFVPHFWKP-ROUUACIJSA-N 2 2 340.471 3.263 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000570817541 317113269 /nfs/dbraw/zinc/11/32/69/317113269.db2.gz FQGJKPFVPHFWKP-ROUUACIJSA-N 2 2 340.471 3.263 20 0 EGADLP C[C@H]1CC[N@H+](CC[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000572090156 317288566 /nfs/dbraw/zinc/28/85/66/317288566.db2.gz HRXCLKVJPVMXTG-ZDUSSCGKSA-N 2 2 348.288 3.429 20 0 EGADLP C[C@H]1CC[N@@H+](CC[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000572090156 317288570 /nfs/dbraw/zinc/28/85/70/317288570.db2.gz HRXCLKVJPVMXTG-ZDUSSCGKSA-N 2 2 348.288 3.429 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000572310204 317318630 /nfs/dbraw/zinc/31/86/30/317318630.db2.gz YCJAOYKEYVNPEY-YRGRVCCFSA-N 2 2 346.393 3.412 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000572310204 317318633 /nfs/dbraw/zinc/31/86/33/317318633.db2.gz YCJAOYKEYVNPEY-YRGRVCCFSA-N 2 2 346.393 3.412 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000572420123 317335982 /nfs/dbraw/zinc/33/59/82/317335982.db2.gz LPVRCMQYBSHPNF-PBEJRMEISA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000572420123 317335986 /nfs/dbraw/zinc/33/59/86/317335986.db2.gz LPVRCMQYBSHPNF-PBEJRMEISA-N 2 2 343.515 3.236 20 0 EGADLP CC[C@@]([NH2+]CCCc1c[nH+]cn1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000572494311 317347600 /nfs/dbraw/zinc/34/76/00/317347600.db2.gz QWWZLUQODCWYCA-SFHVURJKSA-N 2 2 349.862 3.074 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)Oc2ccc(Br)cc2)n1C ZINC000573863194 317536743 /nfs/dbraw/zinc/53/67/43/317536743.db2.gz JAOBOGIHSPPHKH-LLVKDONJSA-N 2 2 338.249 3.048 20 0 EGADLP CC[NH+](CC)CCCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000192354121 455594566 /nfs/dbraw/zinc/59/45/66/455594566.db2.gz GKMZTFPOHRXKLQ-UHFFFAOYSA-N 2 2 325.888 3.051 20 0 EGADLP CC[NH+](CC)CCCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000192354121 455594570 /nfs/dbraw/zinc/59/45/70/455594570.db2.gz GKMZTFPOHRXKLQ-UHFFFAOYSA-N 2 2 325.888 3.051 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Br ZINC000234967179 456150070 /nfs/dbraw/zinc/15/00/70/456150070.db2.gz HBWRMUZTTTXWPQ-AAEUAGOBSA-N 2 2 327.266 3.250 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ncc(Br)s1)C[NH+]1CCCC1 ZINC000179207677 323374985 /nfs/dbraw/zinc/37/49/85/323374985.db2.gz JOBNNSGPIIQTLR-GHMZBOCLSA-N 2 2 332.311 3.288 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C12CCC2 ZINC000181978604 323516878 /nfs/dbraw/zinc/51/68/78/323516878.db2.gz FQZXTFLQVLGSRC-ROUUACIJSA-N 2 2 327.472 3.443 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000379656131 324240588 /nfs/dbraw/zinc/24/05/88/324240588.db2.gz OEUHLOUXOWILQN-UHFFFAOYSA-N 2 2 336.480 3.089 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000389874838 324281435 /nfs/dbraw/zinc/28/14/35/324281435.db2.gz SKASPALZTMGIED-PKOFMYQESA-N 2 2 328.500 3.300 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000389874838 324281437 /nfs/dbraw/zinc/28/14/37/324281437.db2.gz SKASPALZTMGIED-PKOFMYQESA-N 2 2 328.500 3.300 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000398140449 324296237 /nfs/dbraw/zinc/29/62/37/324296237.db2.gz WEJIJEAZZULKPR-HXUWFJFHSA-N 3 2 328.504 3.099 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCc1c[nH+]cn1C ZINC000398140449 324296242 /nfs/dbraw/zinc/29/62/42/324296242.db2.gz WEJIJEAZZULKPR-HXUWFJFHSA-N 3 2 328.504 3.099 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)[NH+](C)C)cc1 ZINC000576271930 324580667 /nfs/dbraw/zinc/58/06/67/324580667.db2.gz MHXGRYAYFQACEB-QMMLZNLJSA-N 2 2 326.484 3.352 20 0 EGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000576861441 324695655 /nfs/dbraw/zinc/69/56/55/324695655.db2.gz QDOUPUUDLDKRLB-KXBFYZLASA-N 2 2 329.488 3.293 20 0 EGADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000579495199 325119692 /nfs/dbraw/zinc/11/96/92/325119692.db2.gz QIOCGSQWKPBXMQ-QGZVFWFLSA-N 2 2 328.456 3.428 20 0 EGADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000579495199 325119693 /nfs/dbraw/zinc/11/96/93/325119693.db2.gz QIOCGSQWKPBXMQ-QGZVFWFLSA-N 2 2 328.456 3.428 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)O[C@@H](C)C2 ZINC000579668339 325141217 /nfs/dbraw/zinc/14/12/17/325141217.db2.gz ZWBKHJWNAGJISS-KBXCAEBGSA-N 2 2 340.423 3.067 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)O[C@@H](C)C2 ZINC000579668339 325141220 /nfs/dbraw/zinc/14/12/20/325141220.db2.gz ZWBKHJWNAGJISS-KBXCAEBGSA-N 2 2 340.423 3.067 20 0 EGADLP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000579941855 325180091 /nfs/dbraw/zinc/18/00/91/325180091.db2.gz HTXYCNHUWZSOOS-UXHICEINSA-N 2 2 337.467 3.019 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080301 325200860 /nfs/dbraw/zinc/20/08/60/325200860.db2.gz CBLMQMRGTWVYKQ-CABCVRRESA-N 2 2 331.847 3.345 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080301 325200862 /nfs/dbraw/zinc/20/08/62/325200862.db2.gz CBLMQMRGTWVYKQ-CABCVRRESA-N 2 2 331.847 3.345 20 0 EGADLP C[NH+](C)[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)c1cccc(Cl)c1 ZINC000580777262 325295282 /nfs/dbraw/zinc/29/52/82/325295282.db2.gz NPIMVQVXSYAPBW-SFHVURJKSA-N 2 2 343.858 3.227 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000183058080 455219879 /nfs/dbraw/zinc/21/98/79/455219879.db2.gz NDXNSQIIWFZOIL-SJPCQFCGSA-N 2 2 348.491 3.136 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000183058080 455219882 /nfs/dbraw/zinc/21/98/82/455219882.db2.gz NDXNSQIIWFZOIL-SJPCQFCGSA-N 2 2 348.491 3.136 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)c[nH+]c12 ZINC000189600656 455222359 /nfs/dbraw/zinc/22/23/59/455222359.db2.gz UYIDGEWDCQYGLG-CZUORRHYSA-N 2 2 341.377 3.216 20 0 EGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582494692 459374835 /nfs/dbraw/zinc/37/48/35/459374835.db2.gz DRLNJTMCJVSHAB-ZDUSSCGKSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582494692 459374839 /nfs/dbraw/zinc/37/48/39/459374839.db2.gz DRLNJTMCJVSHAB-ZDUSSCGKSA-N 2 2 334.261 3.481 20 0 EGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189940065 455257675 /nfs/dbraw/zinc/25/76/75/455257675.db2.gz BSLKVIOCXQVCTB-UHFFFAOYSA-N 2 2 329.492 3.165 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(-c2c(F)cccc2F)n1 ZINC000181096437 455286289 /nfs/dbraw/zinc/28/62/89/455286289.db2.gz ZNQQNZBIZVNUPG-UHFFFAOYSA-N 2 2 332.354 3.338 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(-c2c(F)cccc2F)n1 ZINC000181096437 455286293 /nfs/dbraw/zinc/28/62/93/455286293.db2.gz ZNQQNZBIZVNUPG-UHFFFAOYSA-N 2 2 332.354 3.338 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158911674 455336471 /nfs/dbraw/zinc/33/64/71/455336471.db2.gz IEGMDEFRXBBGNY-HSALFYBXSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158911674 455336474 /nfs/dbraw/zinc/33/64/74/455336474.db2.gz IEGMDEFRXBBGNY-HSALFYBXSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000158911674 455336479 /nfs/dbraw/zinc/33/64/79/455336479.db2.gz IEGMDEFRXBBGNY-HSALFYBXSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000158911674 455336482 /nfs/dbraw/zinc/33/64/82/455336482.db2.gz IEGMDEFRXBBGNY-HSALFYBXSA-N 2 2 343.515 3.060 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000158901137 455336583 /nfs/dbraw/zinc/33/65/83/455336583.db2.gz ZVAYKKVGFLWVIY-HOCLYGCPSA-N 2 2 340.895 3.092 20 0 EGADLP Cc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ncc1Br ZINC000623507032 460587812 /nfs/dbraw/zinc/58/78/12/460587812.db2.gz UNBWKPNBZQNPMZ-UHFFFAOYSA-N 2 2 340.309 3.364 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567758 453888321 /nfs/dbraw/zinc/88/83/21/453888321.db2.gz JUEIQNKQXDGEMM-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567758 453888324 /nfs/dbraw/zinc/88/83/24/453888324.db2.gz JUEIQNKQXDGEMM-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567758 453888328 /nfs/dbraw/zinc/88/83/28/453888328.db2.gz JUEIQNKQXDGEMM-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567758 453888330 /nfs/dbraw/zinc/88/83/30/453888330.db2.gz JUEIQNKQXDGEMM-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[N@H+](Cc4ccccc4)CC3)cn2c1 ZINC000054992850 453955582 /nfs/dbraw/zinc/95/55/82/453955582.db2.gz XWNWKCUTQISBSF-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[N@@H+](Cc4ccccc4)CC3)cn2c1 ZINC000054992850 453955583 /nfs/dbraw/zinc/95/55/83/453955583.db2.gz XWNWKCUTQISBSF-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP FC(F)Oc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063328 453955825 /nfs/dbraw/zinc/95/58/25/453955825.db2.gz KZHFMVRUPMFPNM-UHFFFAOYSA-N 2 2 346.175 3.037 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000042904006 454031341 /nfs/dbraw/zinc/03/13/41/454031341.db2.gz DDCRCYLDBFCNRW-HXUWFJFHSA-N 2 2 347.466 3.398 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1CCCCC1 ZINC000089593663 454165368 /nfs/dbraw/zinc/16/53/68/454165368.db2.gz JWHWNCYGJNNTDE-WSTZPKSXSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)N1CCCCC1 ZINC000089593663 454165369 /nfs/dbraw/zinc/16/53/69/454165369.db2.gz JWHWNCYGJNNTDE-WSTZPKSXSA-N 2 2 343.515 3.030 20 0 EGADLP CC(C)(C)c1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000058470917 454207478 /nfs/dbraw/zinc/20/74/78/454207478.db2.gz JFOGWOGMMIFJRQ-UHFFFAOYSA-N 2 2 334.508 3.455 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)n1-c1ccccc1 ZINC000095964432 454240864 /nfs/dbraw/zinc/24/08/64/454240864.db2.gz TVQPKRACKXUQQE-GOSISDBHSA-N 2 2 343.377 3.282 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000119981789 454243768 /nfs/dbraw/zinc/24/37/68/454243768.db2.gz GETZWYDNVQLQHU-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000119981789 454243770 /nfs/dbraw/zinc/24/37/70/454243770.db2.gz GETZWYDNVQLQHU-INIZCTEOSA-N 2 2 342.487 3.116 20 0 EGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000131370834 454249542 /nfs/dbraw/zinc/24/95/42/454249542.db2.gz GMHZUABUHDIZKQ-SFHVURJKSA-N 2 2 340.895 3.064 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000090586754 454324015 /nfs/dbraw/zinc/32/40/15/454324015.db2.gz WXOXMPJTBXPOQO-IBGZPJMESA-N 3 2 344.547 3.004 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000090586754 454324016 /nfs/dbraw/zinc/32/40/16/454324016.db2.gz WXOXMPJTBXPOQO-IBGZPJMESA-N 3 2 344.547 3.004 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090764994 454339561 /nfs/dbraw/zinc/33/95/61/454339561.db2.gz UZKCRJKUILSMLK-CQSZACIVSA-N 2 2 328.460 3.044 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000120875027 454359092 /nfs/dbraw/zinc/35/90/92/454359092.db2.gz PARDJHLUIGEOAV-MRXNPFEDSA-N 2 2 326.444 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000120875027 454359096 /nfs/dbraw/zinc/35/90/96/454359096.db2.gz PARDJHLUIGEOAV-MRXNPFEDSA-N 2 2 326.444 3.422 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000121433495 454435425 /nfs/dbraw/zinc/43/54/25/454435425.db2.gz MEMZGDRSXYLRJE-UWVAXJGDSA-N 3 2 326.488 3.080 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000121433495 454435428 /nfs/dbraw/zinc/43/54/28/454435428.db2.gz MEMZGDRSXYLRJE-UWVAXJGDSA-N 3 2 326.488 3.080 20 0 EGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)[nH]c2c1 ZINC000121483727 454440921 /nfs/dbraw/zinc/44/09/21/454440921.db2.gz SEGLAUHYNZPLEY-KYNGSXCRSA-N 2 2 325.456 3.433 20 0 EGADLP Clc1ccc(OCc2cccnc2)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000073649749 454463122 /nfs/dbraw/zinc/46/31/22/454463122.db2.gz HDERNUZOKAELTA-UHFFFAOYSA-N 2 2 342.830 3.300 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000121769836 454475099 /nfs/dbraw/zinc/47/50/99/454475099.db2.gz KNTOBEIQOGYPKD-CVEARBPZSA-N 2 2 337.533 3.122 20 0 EGADLP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@@H+]1CCc2ccccc2C1 ZINC000102425198 454505310 /nfs/dbraw/zinc/50/53/10/454505310.db2.gz IEUFSIMMBJVLLL-QGZVFWFLSA-N 2 2 334.463 3.499 20 0 EGADLP C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)[N@H+]1CCc2ccccc2C1 ZINC000102425198 454505313 /nfs/dbraw/zinc/50/53/13/454505313.db2.gz IEUFSIMMBJVLLL-QGZVFWFLSA-N 2 2 334.463 3.499 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000092043054 454507802 /nfs/dbraw/zinc/50/78/02/454507802.db2.gz WDTADFGINATFGG-MJGOQNOKSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000092043054 454507806 /nfs/dbraw/zinc/50/78/06/454507806.db2.gz WDTADFGINATFGG-MJGOQNOKSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)nn1CC(C)C ZINC000092043054 454507811 /nfs/dbraw/zinc/50/78/11/454507811.db2.gz WDTADFGINATFGG-MJGOQNOKSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)nn1CC(C)C ZINC000092043054 454507814 /nfs/dbraw/zinc/50/78/14/454507814.db2.gz WDTADFGINATFGG-MJGOQNOKSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073587 454516360 /nfs/dbraw/zinc/51/63/60/454516360.db2.gz FQZOCPMSSMGHJD-HNNXBMFYSA-N 2 2 345.443 3.205 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC ZINC000092073587 454516363 /nfs/dbraw/zinc/51/63/63/454516363.db2.gz FQZOCPMSSMGHJD-HNNXBMFYSA-N 2 2 345.443 3.205 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc(Br)ccc2OC)CC[C@@H]1[NH3+] ZINC000122272898 454517819 /nfs/dbraw/zinc/51/78/19/454517819.db2.gz BEKWADLFXFSDRI-FZMZJTMJSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2OC)CC[C@@H]1[NH3+] ZINC000122272898 454517824 /nfs/dbraw/zinc/51/78/24/454517824.db2.gz BEKWADLFXFSDRI-FZMZJTMJSA-N 2 2 327.266 3.017 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000074333662 454566893 /nfs/dbraw/zinc/56/68/93/454566893.db2.gz IYKOZUBBVFXOSU-UHFFFAOYSA-N 2 2 347.462 3.282 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092564101 454587055 /nfs/dbraw/zinc/58/70/55/454587055.db2.gz VFCKKUXHPWCCPQ-LLVKDONJSA-N 2 2 349.219 3.234 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092564101 454587057 /nfs/dbraw/zinc/58/70/57/454587057.db2.gz VFCKKUXHPWCCPQ-LLVKDONJSA-N 2 2 349.219 3.234 20 0 EGADLP COc1ccc2oc(C[NH2+]CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000123026763 454593249 /nfs/dbraw/zinc/59/32/49/454593249.db2.gz BZYQWKRDGXPUOJ-GASCZTMLSA-N 2 2 332.444 3.030 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3c(F)cccc3F)CC2)c1 ZINC000104719962 454598171 /nfs/dbraw/zinc/59/81/71/454598171.db2.gz ZPYHQBMUUDJUBM-CYBMUJFWSA-N 2 2 333.382 3.252 20 0 EGADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134872324 454600754 /nfs/dbraw/zinc/60/07/54/454600754.db2.gz IGGGRNXCXGKAAO-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134872324 454600760 /nfs/dbraw/zinc/60/07/60/454600760.db2.gz IGGGRNXCXGKAAO-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134872324 454600762 /nfs/dbraw/zinc/60/07/62/454600762.db2.gz IGGGRNXCXGKAAO-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134872324 454600764 /nfs/dbraw/zinc/60/07/64/454600764.db2.gz IGGGRNXCXGKAAO-YLJYHZDGSA-N 2 2 341.499 3.136 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926127 460646076 /nfs/dbraw/zinc/64/60/76/460646076.db2.gz HAJVIFZOLSUTBA-QZTJIDSGSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926127 460646078 /nfs/dbraw/zinc/64/60/78/460646078.db2.gz HAJVIFZOLSUTBA-QZTJIDSGSA-N 2 2 349.906 3.077 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Cl ZINC000080960953 454659568 /nfs/dbraw/zinc/65/95/68/454659568.db2.gz JEJKGDWGNZOKMK-CYBMUJFWSA-N 2 2 332.835 3.271 20 0 EGADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Cl ZINC000080960953 454659572 /nfs/dbraw/zinc/65/95/72/454659572.db2.gz JEJKGDWGNZOKMK-CYBMUJFWSA-N 2 2 332.835 3.271 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)[nH]1 ZINC000080973756 454662823 /nfs/dbraw/zinc/66/28/23/454662823.db2.gz QHVAJZUULBXJRJ-ZDUSSCGKSA-N 2 2 325.441 3.308 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)[nH]1 ZINC000080973756 454662826 /nfs/dbraw/zinc/66/28/26/454662826.db2.gz QHVAJZUULBXJRJ-ZDUSSCGKSA-N 2 2 325.441 3.308 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000080984761 454665553 /nfs/dbraw/zinc/66/55/53/454665553.db2.gz UQUBBIVYSYAKIZ-ZDUSSCGKSA-N 2 2 332.835 3.271 20 0 EGADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000080984761 454665555 /nfs/dbraw/zinc/66/55/55/454665555.db2.gz UQUBBIVYSYAKIZ-ZDUSSCGKSA-N 2 2 332.835 3.271 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123790072 454675821 /nfs/dbraw/zinc/67/58/21/454675821.db2.gz CSNSSVSWNYEQNH-KRWDZBQOSA-N 2 2 343.471 3.152 20 0 EGADLP COc1ccc(OCCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123790072 454675826 /nfs/dbraw/zinc/67/58/26/454675826.db2.gz CSNSSVSWNYEQNH-KRWDZBQOSA-N 2 2 343.471 3.152 20 0 EGADLP COc1ccc2ccccc2c1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000093394720 454711167 /nfs/dbraw/zinc/71/11/67/454711167.db2.gz UCULQBBSLRRJEP-UHFFFAOYSA-N 2 2 342.483 3.127 20 0 EGADLP COc1ccc2ccccc2c1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000093394720 454711170 /nfs/dbraw/zinc/71/11/70/454711170.db2.gz UCULQBBSLRRJEP-UHFFFAOYSA-N 2 2 342.483 3.127 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)O[C@@H](C)C2 ZINC000093683381 454728405 /nfs/dbraw/zinc/72/84/05/454728405.db2.gz HACVIDPSUYUPKS-DLBZAZTESA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c1)O[C@@H](C)C2 ZINC000093683381 454728408 /nfs/dbraw/zinc/72/84/08/454728408.db2.gz HACVIDPSUYUPKS-DLBZAZTESA-N 2 2 344.499 3.326 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000136914053 454761154 /nfs/dbraw/zinc/76/11/54/454761154.db2.gz VSKQWKNJHDADRB-LPQFERQCSA-N 2 2 340.471 3.162 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137074273 454767917 /nfs/dbraw/zinc/76/79/17/454767917.db2.gz BJLDPBKAQXSMMZ-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP COCC[N@H+](C)CCCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000162534021 454781595 /nfs/dbraw/zinc/78/15/95/454781595.db2.gz JUZDOELZPRMGPN-UHFFFAOYSA-N 2 2 346.519 3.237 20 0 EGADLP COCC[N@@H+](C)CCCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000162534021 454781598 /nfs/dbraw/zinc/78/15/98/454781598.db2.gz JUZDOELZPRMGPN-UHFFFAOYSA-N 2 2 346.519 3.237 20 0 EGADLP c1[nH+]cn(Cc2ccccc2)c1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000139958019 454813834 /nfs/dbraw/zinc/81/38/34/454813834.db2.gz PIANCNANGJHYOT-UHFFFAOYSA-N 2 2 345.450 3.157 20 0 EGADLP c1[nH+]cn(Cc2ccccc2)c1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000139958019 454813837 /nfs/dbraw/zinc/81/38/37/454813837.db2.gz PIANCNANGJHYOT-UHFFFAOYSA-N 2 2 345.450 3.157 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000153647894 454817206 /nfs/dbraw/zinc/81/72/06/454817206.db2.gz VDBHAIHQRCYUOU-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000153647894 454817208 /nfs/dbraw/zinc/81/72/08/454817208.db2.gz VDBHAIHQRCYUOU-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C3Cc4ccccc4C3)c2cc1C ZINC000141298530 454828698 /nfs/dbraw/zinc/82/86/98/454828698.db2.gz VFULCGRATDNOCP-HXUWFJFHSA-N 2 2 349.478 3.113 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C3Cc4ccccc4C3)c2cc1C ZINC000141298530 454828700 /nfs/dbraw/zinc/82/87/00/454828700.db2.gz VFULCGRATDNOCP-HXUWFJFHSA-N 2 2 349.478 3.113 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)oc2c1 ZINC000163350674 454841512 /nfs/dbraw/zinc/84/15/12/454841512.db2.gz YUOSAKYKBSMXCC-CYBMUJFWSA-N 2 2 326.375 3.296 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)oc2c1 ZINC000163350674 454841517 /nfs/dbraw/zinc/84/15/17/454841517.db2.gz YUOSAKYKBSMXCC-CYBMUJFWSA-N 2 2 326.375 3.296 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccccc1 ZINC000635011810 460655881 /nfs/dbraw/zinc/65/58/81/460655881.db2.gz PGSLUGTXZNOKCA-GDBMZVCRSA-N 2 2 327.476 3.005 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177263252 454844647 /nfs/dbraw/zinc/84/46/47/454844647.db2.gz NVOIGMIAMJISFN-HXUWFJFHSA-N 2 2 347.466 3.368 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177263252 454844652 /nfs/dbraw/zinc/84/46/52/454844652.db2.gz NVOIGMIAMJISFN-HXUWFJFHSA-N 2 2 347.466 3.368 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000177313198 454850394 /nfs/dbraw/zinc/85/03/94/454850394.db2.gz JMIGBZQMCNKALT-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000177313198 454850397 /nfs/dbraw/zinc/85/03/97/454850397.db2.gz JMIGBZQMCNKALT-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000177313198 454850401 /nfs/dbraw/zinc/85/04/01/454850401.db2.gz JMIGBZQMCNKALT-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000177313198 454850404 /nfs/dbraw/zinc/85/04/04/454850404.db2.gz JMIGBZQMCNKALT-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150764940 454888929 /nfs/dbraw/zinc/88/89/29/454888929.db2.gz MVOMCCDVOSIFDD-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150764940 454888934 /nfs/dbraw/zinc/88/89/34/454888934.db2.gz MVOMCCDVOSIFDD-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780188 454891268 /nfs/dbraw/zinc/89/12/68/454891268.db2.gz RKSSTCSTLVVZGA-LSDHHAIUSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780188 454891271 /nfs/dbraw/zinc/89/12/71/454891271.db2.gz RKSSTCSTLVVZGA-LSDHHAIUSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000165125664 454895219 /nfs/dbraw/zinc/89/52/19/454895219.db2.gz JNWABTJNNMJKID-INIZCTEOSA-N 2 2 340.471 3.172 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000150814878 454896422 /nfs/dbraw/zinc/89/64/22/454896422.db2.gz XPQMTONDDAKJHI-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000150814878 454896423 /nfs/dbraw/zinc/89/64/23/454896423.db2.gz XPQMTONDDAKJHI-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000126754284 454916431 /nfs/dbraw/zinc/91/64/31/454916431.db2.gz UIHVKVNZBPQCSY-KRWDZBQOSA-N 2 2 341.499 3.440 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000126754284 454916436 /nfs/dbraw/zinc/91/64/36/454916436.db2.gz UIHVKVNZBPQCSY-KRWDZBQOSA-N 2 2 341.499 3.440 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000154830394 454933838 /nfs/dbraw/zinc/93/38/38/454933838.db2.gz IQUVPQFPSGHIPH-CYBMUJFWSA-N 2 2 325.522 3.336 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(F)cc1 ZINC000635013616 460656332 /nfs/dbraw/zinc/65/63/32/460656332.db2.gz ZVNOJVWFDJVPNX-BBRMVZONSA-N 2 2 345.466 3.144 20 0 EGADLP C[N@H+](Cc1cn2ccccc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480679 454956312 /nfs/dbraw/zinc/95/63/12/454956312.db2.gz NKWNUSHEXFELMD-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP C[N@@H+](Cc1cn2ccccc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480679 454956317 /nfs/dbraw/zinc/95/63/17/454956317.db2.gz NKWNUSHEXFELMD-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP CCCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[NH2+]C1 ZINC000178886268 454987571 /nfs/dbraw/zinc/98/75/71/454987571.db2.gz CVOVBGCZGNWXCG-INIZCTEOSA-N 2 2 325.412 3.088 20 0 EGADLP CCO[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745064 455039492 /nfs/dbraw/zinc/03/94/92/455039492.db2.gz XLCDMYBYYUXGRS-SXLOBPIMSA-N 2 2 333.520 3.333 20 0 EGADLP CCO[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745064 455039497 /nfs/dbraw/zinc/03/94/97/455039497.db2.gz XLCDMYBYYUXGRS-SXLOBPIMSA-N 2 2 333.520 3.333 20 0 EGADLP CC(C)[NH+](CCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(C)C ZINC000155847136 455052754 /nfs/dbraw/zinc/05/27/54/455052754.db2.gz ZLRYKIXBZKVWHX-UHFFFAOYSA-N 3 2 332.536 3.145 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000128429496 455055266 /nfs/dbraw/zinc/05/52/66/455055266.db2.gz JIYQQHBGDODQSI-CYBMUJFWSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000128429496 455055270 /nfs/dbraw/zinc/05/52/70/455055270.db2.gz JIYQQHBGDODQSI-CYBMUJFWSA-N 2 2 332.275 3.237 20 0 EGADLP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148331 455078581 /nfs/dbraw/zinc/07/85/81/455078581.db2.gz MGVJZLNCTPJESI-MDOVXXIYSA-N 2 2 327.472 3.333 20 0 EGADLP Cc1noc(C)c1C[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148331 455078584 /nfs/dbraw/zinc/07/85/84/455078584.db2.gz MGVJZLNCTPJESI-MDOVXXIYSA-N 2 2 327.472 3.333 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000156309270 455103232 /nfs/dbraw/zinc/10/32/32/455103232.db2.gz LDVUMJZNSKNMGG-CYBMUJFWSA-N 2 2 348.288 3.381 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000156309270 455103234 /nfs/dbraw/zinc/10/32/34/455103234.db2.gz LDVUMJZNSKNMGG-CYBMUJFWSA-N 2 2 348.288 3.381 20 0 EGADLP C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000156395587 455113136 /nfs/dbraw/zinc/11/31/36/455113136.db2.gz CCLFWKHEYWYUSW-CQSZACIVSA-N 2 2 340.393 3.407 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000119049031 455122317 /nfs/dbraw/zinc/12/23/17/455122317.db2.gz YSXZVOYSDHOMKV-HOJAQTOUSA-N 2 2 334.504 3.483 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004377 455161133 /nfs/dbraw/zinc/16/11/33/455161133.db2.gz AVOOUMFOWFAPPL-BJLQDIEVSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004377 455161134 /nfs/dbraw/zinc/16/11/34/455161134.db2.gz AVOOUMFOWFAPPL-BJLQDIEVSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004377 455161135 /nfs/dbraw/zinc/16/11/35/455161135.db2.gz AVOOUMFOWFAPPL-BJLQDIEVSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157004377 455161136 /nfs/dbraw/zinc/16/11/36/455161136.db2.gz AVOOUMFOWFAPPL-BJLQDIEVSA-N 2 2 345.531 3.132 20 0 EGADLP c1cn2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c(C3CC3)nc2s1 ZINC000180392372 455163591 /nfs/dbraw/zinc/16/35/91/455163591.db2.gz RMINOFDBUBYTIO-AWEZNQCLSA-N 2 2 330.501 3.191 20 0 EGADLP c1cn2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c(C3CC3)nc2s1 ZINC000180392372 455163594 /nfs/dbraw/zinc/16/35/94/455163594.db2.gz RMINOFDBUBYTIO-AWEZNQCLSA-N 2 2 330.501 3.191 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NCCC1CCCCC1 ZINC000157103579 455165218 /nfs/dbraw/zinc/16/52/18/455165218.db2.gz ZCYCLWDCRJBVFM-LJQANCHMSA-N 2 2 335.536 3.023 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NCCC1CCCCC1 ZINC000157103579 455165221 /nfs/dbraw/zinc/16/52/21/455165221.db2.gz ZCYCLWDCRJBVFM-LJQANCHMSA-N 2 2 335.536 3.023 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000172649998 455167954 /nfs/dbraw/zinc/16/79/54/455167954.db2.gz ZJYDQJKVTCJZCT-RHSMWYFYSA-N 2 2 342.405 3.157 20 0 EGADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1C(F)(F)F ZINC000172649998 455167956 /nfs/dbraw/zinc/16/79/56/455167956.db2.gz ZJYDQJKVTCJZCT-RHSMWYFYSA-N 2 2 342.405 3.157 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC[NH2+]CC1 ZINC000237400520 455181878 /nfs/dbraw/zinc/18/18/78/455181878.db2.gz ULYCRIUQCNPFOI-AWEZNQCLSA-N 2 2 326.444 3.051 20 0 EGADLP CCOCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)ccc1OC ZINC000180511488 455186913 /nfs/dbraw/zinc/18/69/13/455186913.db2.gz IKSFIZJWXMAYNQ-MOPGFXCFSA-N 2 2 332.488 3.290 20 0 EGADLP CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)ccc1OC ZINC000180511488 455186918 /nfs/dbraw/zinc/18/69/18/455186918.db2.gz IKSFIZJWXMAYNQ-MOPGFXCFSA-N 2 2 332.488 3.290 20 0 EGADLP CCOCc1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)ccc1OC ZINC000180511488 455186921 /nfs/dbraw/zinc/18/69/21/455186921.db2.gz IKSFIZJWXMAYNQ-MOPGFXCFSA-N 2 2 332.488 3.290 20 0 EGADLP CCOCc1cc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)ccc1OC ZINC000180511488 455186926 /nfs/dbraw/zinc/18/69/26/455186926.db2.gz IKSFIZJWXMAYNQ-MOPGFXCFSA-N 2 2 332.488 3.290 20 0 EGADLP CC(C)(C)[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(F)cc1 ZINC000182954128 455198140 /nfs/dbraw/zinc/19/81/40/455198140.db2.gz ZTSZJHZQJGIQTP-UHFFFAOYSA-N 2 2 332.423 3.152 20 0 EGADLP CC(C)(C)[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(F)cc1 ZINC000182954128 455198143 /nfs/dbraw/zinc/19/81/43/455198143.db2.gz ZTSZJHZQJGIQTP-UHFFFAOYSA-N 2 2 332.423 3.152 20 0 EGADLP COc1cccc([C@H](C[NH2+]C2CC(OC(C)C)C2)[NH+]2CCCC2)c1 ZINC000189514054 455211342 /nfs/dbraw/zinc/21/13/42/455211342.db2.gz VQLSBCTYHMVLIN-UUKMXZOPSA-N 2 2 332.488 3.378 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173601196 455314834 /nfs/dbraw/zinc/31/48/34/455314834.db2.gz YKIHBJLVLVECNB-IEBWSBKVSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173601196 455314839 /nfs/dbraw/zinc/31/48/39/455314839.db2.gz YKIHBJLVLVECNB-IEBWSBKVSA-N 2 2 343.515 3.384 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(Br)c1 ZINC000181417566 455332110 /nfs/dbraw/zinc/33/21/10/455332110.db2.gz DRCQIZLOBFCGFC-NSHDSACASA-N 2 2 327.266 3.203 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(Br)c1 ZINC000181417584 455332126 /nfs/dbraw/zinc/33/21/26/455332126.db2.gz DRCQIZLOBFCGFC-LLVKDONJSA-N 2 2 327.266 3.203 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000600996905 460669193 /nfs/dbraw/zinc/66/91/93/460669193.db2.gz MMWNNGXCAMVMST-DLBZAZTESA-N 2 2 346.862 3.003 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000245745358 455371698 /nfs/dbraw/zinc/37/16/98/455371698.db2.gz XXDCVTGZEYEOJW-MPGHIAIKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000245745358 455371704 /nfs/dbraw/zinc/37/17/04/455371704.db2.gz XXDCVTGZEYEOJW-MPGHIAIKSA-N 2 2 344.434 3.241 20 0 EGADLP CCN(CC)C(=O)C1([NH2+]Cc2c[nH+]c3c(C)cccn23)CCCCC1 ZINC000174343874 455381411 /nfs/dbraw/zinc/38/14/11/455381411.db2.gz UVXZZOHPFHOFJN-UHFFFAOYSA-N 2 2 342.487 3.304 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000245925811 455400604 /nfs/dbraw/zinc/40/06/04/455400604.db2.gz OBVMSBJTBANUAZ-ZBFHGGJFSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000245925811 455400609 /nfs/dbraw/zinc/40/06/09/455400609.db2.gz OBVMSBJTBANUAZ-ZBFHGGJFSA-N 2 2 339.886 3.252 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000190910689 455403166 /nfs/dbraw/zinc/40/31/66/455403166.db2.gz IGCXEMGLYAJAKR-HNNXBMFYSA-N 2 2 347.532 3.096 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000190910689 455403169 /nfs/dbraw/zinc/40/31/69/455403169.db2.gz IGCXEMGLYAJAKR-HNNXBMFYSA-N 2 2 347.532 3.096 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246091499 455424003 /nfs/dbraw/zinc/42/40/03/455424003.db2.gz IPUAPVBFJIGATP-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246091499 455424009 /nfs/dbraw/zinc/42/40/09/455424009.db2.gz IPUAPVBFJIGATP-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246091499 455424012 /nfs/dbraw/zinc/42/40/12/455424012.db2.gz IPUAPVBFJIGATP-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246091499 455424019 /nfs/dbraw/zinc/42/40/19/455424019.db2.gz IPUAPVBFJIGATP-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000182092820 455434345 /nfs/dbraw/zinc/43/43/45/455434345.db2.gz SKQVKQMLMFUQAQ-QGZVFWFLSA-N 2 2 349.482 3.275 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000182092820 455434350 /nfs/dbraw/zinc/43/43/50/455434350.db2.gz SKQVKQMLMFUQAQ-QGZVFWFLSA-N 2 2 349.482 3.275 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226586 455453464 /nfs/dbraw/zinc/45/34/64/455453464.db2.gz POXXWSWPTKMELU-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226586 455453467 /nfs/dbraw/zinc/45/34/67/455453467.db2.gz POXXWSWPTKMELU-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226586 455453469 /nfs/dbraw/zinc/45/34/69/455453469.db2.gz POXXWSWPTKMELU-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000246226586 455453474 /nfs/dbraw/zinc/45/34/74/455453474.db2.gz POXXWSWPTKMELU-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000246228452 455453722 /nfs/dbraw/zinc/45/37/22/455453722.db2.gz PYEOVXKKUDJRQQ-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000246228452 455453725 /nfs/dbraw/zinc/45/37/25/455453725.db2.gz PYEOVXKKUDJRQQ-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000246228452 455453729 /nfs/dbraw/zinc/45/37/29/455453729.db2.gz PYEOVXKKUDJRQQ-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000246228452 455453731 /nfs/dbraw/zinc/45/37/31/455453731.db2.gz PYEOVXKKUDJRQQ-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887299 455468761 /nfs/dbraw/zinc/46/87/61/455468761.db2.gz BVHXPMULHMASLD-ZIAGYGMSSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887299 455468766 /nfs/dbraw/zinc/46/87/66/455468766.db2.gz BVHXPMULHMASLD-ZIAGYGMSSA-N 2 2 330.407 3.064 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(F)ccc1Br ZINC000185142169 455509236 /nfs/dbraw/zinc/50/92/36/455509236.db2.gz AGIIVYTWDCPDNI-UHFFFAOYSA-N 2 2 338.224 3.339 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000267353445 455545103 /nfs/dbraw/zinc/54/51/03/455545103.db2.gz ODRXXFUFEKOBBB-UHFFFAOYSA-N 2 2 346.519 3.132 20 0 EGADLP Cc1cnn(-c2cc[nH+]cc2NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000182669049 455564464 /nfs/dbraw/zinc/56/44/64/455564464.db2.gz PBPXHKWJZBYYKF-UHFFFAOYSA-N 2 2 338.802 3.489 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247210960 455573134 /nfs/dbraw/zinc/57/31/34/455573134.db2.gz CJJSENGFGMBAST-FUHWJXTLSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247210960 455573138 /nfs/dbraw/zinc/57/31/38/455573138.db2.gz CJJSENGFGMBAST-FUHWJXTLSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247210960 455573143 /nfs/dbraw/zinc/57/31/43/455573143.db2.gz CJJSENGFGMBAST-FUHWJXTLSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247210960 455573146 /nfs/dbraw/zinc/57/31/46/455573146.db2.gz CJJSENGFGMBAST-FUHWJXTLSA-N 2 2 331.504 3.382 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247207801 455573497 /nfs/dbraw/zinc/57/34/97/455573497.db2.gz WUJFNBHVTFPXEF-DEPCRRQNSA-N 2 2 349.563 3.266 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247207801 455573499 /nfs/dbraw/zinc/57/34/99/455573499.db2.gz WUJFNBHVTFPXEF-DEPCRRQNSA-N 2 2 349.563 3.266 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231384 455576238 /nfs/dbraw/zinc/57/62/38/455576238.db2.gz YHYVEJUPXMVAEM-GHTZIAJQSA-N 3 2 329.532 3.013 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000247231384 455576241 /nfs/dbraw/zinc/57/62/41/455576241.db2.gz YHYVEJUPXMVAEM-GHTZIAJQSA-N 3 2 329.532 3.013 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000247354891 455591430 /nfs/dbraw/zinc/59/14/30/455591430.db2.gz GXLFWCOBWAJZTO-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000247354891 455591432 /nfs/dbraw/zinc/59/14/32/455591432.db2.gz GXLFWCOBWAJZTO-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@H](c1ccccc1)[NH+](C)C ZINC000185679506 455594045 /nfs/dbraw/zinc/59/40/45/455594045.db2.gz KSLNQHOIUUDVSC-LAUBAEHRSA-N 2 2 338.499 3.463 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C(=O)N(C)C)cc1 ZINC000292265201 455613530 /nfs/dbraw/zinc/61/35/30/455613530.db2.gz SYPCQROLQUWPJP-INIZCTEOSA-N 2 2 340.471 3.326 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000635116410 460681488 /nfs/dbraw/zinc/68/14/88/460681488.db2.gz GOIJDYSXQWHSKK-MRXNPFEDSA-N 2 2 348.878 3.079 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC(F)F ZINC000277619986 455616446 /nfs/dbraw/zinc/61/64/46/455616446.db2.gz XCAHUKCISBNIJA-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC(F)F ZINC000277619986 455616448 /nfs/dbraw/zinc/61/64/48/455616448.db2.gz XCAHUKCISBNIJA-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000247547483 455622226 /nfs/dbraw/zinc/62/22/26/455622226.db2.gz PPDHAFKQSXFJSV-QYZOEREBSA-N 2 2 345.531 3.224 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000247547483 455622233 /nfs/dbraw/zinc/62/22/33/455622233.db2.gz PPDHAFKQSXFJSV-QYZOEREBSA-N 2 2 345.531 3.224 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247645755 455633393 /nfs/dbraw/zinc/63/33/93/455633393.db2.gz UJWNOVHIOIBKJC-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247645755 455633396 /nfs/dbraw/zinc/63/33/96/455633396.db2.gz UJWNOVHIOIBKJC-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000271460590 455645494 /nfs/dbraw/zinc/64/54/94/455645494.db2.gz GDBBKKLHDNURIG-LIRRHRJNSA-N 2 2 325.412 3.209 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284255294 455658278 /nfs/dbraw/zinc/65/82/78/455658278.db2.gz WNAYUTLZKCHGPR-AWEZNQCLSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284255294 455658284 /nfs/dbraw/zinc/65/82/84/455658284.db2.gz WNAYUTLZKCHGPR-AWEZNQCLSA-N 2 2 325.416 3.325 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000277942516 455716371 /nfs/dbraw/zinc/71/63/71/455716371.db2.gz RBSBZPZGASLVJU-ZBFHGGJFSA-N 2 2 344.459 3.069 20 0 EGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779739 455755874 /nfs/dbraw/zinc/75/58/74/455755874.db2.gz TZMVWJOVBYLCJG-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292779739 455755877 /nfs/dbraw/zinc/75/58/77/455755877.db2.gz TZMVWJOVBYLCJG-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000269015605 455764415 /nfs/dbraw/zinc/76/44/15/455764415.db2.gz WUDUHWZBIPHXCR-LBPRGKRZSA-N 2 2 345.353 3.118 20 0 EGADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000269015605 455764420 /nfs/dbraw/zinc/76/44/20/455764420.db2.gz WUDUHWZBIPHXCR-LBPRGKRZSA-N 2 2 345.353 3.118 20 0 EGADLP Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076023 455783112 /nfs/dbraw/zinc/78/31/12/455783112.db2.gz YMBPGGSAWTWQTN-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076023 455783116 /nfs/dbraw/zinc/78/31/16/455783116.db2.gz YMBPGGSAWTWQTN-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076023 455783120 /nfs/dbraw/zinc/78/31/20/455783120.db2.gz YMBPGGSAWTWQTN-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076023 455783125 /nfs/dbraw/zinc/78/31/25/455783125.db2.gz YMBPGGSAWTWQTN-PZJWPPBQSA-N 2 2 338.499 3.215 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cc(Br)cs1)C[NH+]1CCOCC1 ZINC000194049635 455796287 /nfs/dbraw/zinc/79/62/87/455796287.db2.gz DJKZHYYOEILGMZ-VXGBXAGGSA-N 2 2 347.322 3.130 20 0 EGADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000278307576 455812986 /nfs/dbraw/zinc/81/29/86/455812986.db2.gz GZSAKIIJFZVKNQ-GOSISDBHSA-N 2 2 348.450 3.199 20 0 EGADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000278307576 455812991 /nfs/dbraw/zinc/81/29/91/455812991.db2.gz GZSAKIIJFZVKNQ-GOSISDBHSA-N 2 2 348.450 3.199 20 0 EGADLP CCc1nc(NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc(C)[nH+]1 ZINC000252494091 455813130 /nfs/dbraw/zinc/81/31/30/455813130.db2.gz NKSSAXBKZHDKDV-UHFFFAOYSA-N 2 2 343.475 3.276 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673735 455828141 /nfs/dbraw/zinc/82/81/41/455828141.db2.gz LRICBRIGRCVAOB-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673735 455828142 /nfs/dbraw/zinc/82/81/42/455828142.db2.gz LRICBRIGRCVAOB-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP c1ccc(C[NH+]2CCC(Nc3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000278364389 455829764 /nfs/dbraw/zinc/82/97/64/455829764.db2.gz LVLJPXOSVNZYCQ-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[NH+]2CCC(Nc3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000278364389 455829767 /nfs/dbraw/zinc/82/97/67/455829767.db2.gz LVLJPXOSVNZYCQ-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCSCC1 ZINC000187285859 455892181 /nfs/dbraw/zinc/89/21/81/455892181.db2.gz UXGJVFXIHPCZRN-KRWDZBQOSA-N 2 2 340.577 3.390 20 0 EGADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000261430054 455904158 /nfs/dbraw/zinc/90/41/58/455904158.db2.gz JSLMDSVFQJEUSE-CQSZACIVSA-N 2 2 342.430 3.128 20 0 EGADLP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000261430054 455904162 /nfs/dbraw/zinc/90/41/62/455904162.db2.gz JSLMDSVFQJEUSE-CQSZACIVSA-N 2 2 342.430 3.128 20 0 EGADLP CCc1ccc([C@@H](CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000194958046 455906074 /nfs/dbraw/zinc/90/60/74/455906074.db2.gz BYLBFIULTKQQNA-UXHICEINSA-N 2 2 349.482 3.349 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1sccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261692087 455928326 /nfs/dbraw/zinc/92/83/26/455928326.db2.gz RWUMGYGGXZJGDZ-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1sccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261692087 455928330 /nfs/dbraw/zinc/92/83/30/455928330.db2.gz RWUMGYGGXZJGDZ-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP CCCC1CCC(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)CC1 ZINC000261715384 455933909 /nfs/dbraw/zinc/93/39/09/455933909.db2.gz KIRUFJVHGOAADI-UHFFFAOYSA-N 2 2 345.535 3.167 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)o1 ZINC000280288846 455936667 /nfs/dbraw/zinc/93/66/67/455936667.db2.gz UGYPNSPBXWVGGU-LBPRGKRZSA-N 2 2 325.416 3.434 20 0 EGADLP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000195516295 455976283 /nfs/dbraw/zinc/97/62/83/455976283.db2.gz AXJQOQOZABBCFT-LSDHHAIUSA-N 2 2 329.448 3.391 20 0 EGADLP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000195516295 455976284 /nfs/dbraw/zinc/97/62/84/455976284.db2.gz AXJQOQOZABBCFT-LSDHHAIUSA-N 2 2 329.448 3.391 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272519408 455979427 /nfs/dbraw/zinc/97/94/27/455979427.db2.gz PSYDDAHGQSICDP-WMLDXEAASA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272519408 455979429 /nfs/dbraw/zinc/97/94/29/455979429.db2.gz PSYDDAHGQSICDP-WMLDXEAASA-N 2 2 346.906 3.382 20 0 EGADLP CCc1nc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc(C)[nH+]1 ZINC000286141770 455985984 /nfs/dbraw/zinc/98/59/84/455985984.db2.gz HWBINBCZEYWQCI-HNNXBMFYSA-N 2 2 325.460 3.380 20 0 EGADLP OCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272558671 455993337 /nfs/dbraw/zinc/99/33/37/455993337.db2.gz NGTFDNDACSQCGV-MRXNPFEDSA-N 2 2 330.394 3.117 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000286176174 455993999 /nfs/dbraw/zinc/99/39/99/455993999.db2.gz CDDUCPQAAXVKPG-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000286176174 455994004 /nfs/dbraw/zinc/99/40/04/455994004.db2.gz CDDUCPQAAXVKPG-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000623755903 460706815 /nfs/dbraw/zinc/70/68/15/460706815.db2.gz MOSAVROGLRYPBQ-OAHLLOKOSA-N 2 2 348.853 3.309 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614271 456014945 /nfs/dbraw/zinc/01/49/45/456014945.db2.gz KWHONDFEFAKOOF-HUUCEWRRSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614271 456014948 /nfs/dbraw/zinc/01/49/48/456014948.db2.gz KWHONDFEFAKOOF-HUUCEWRRSA-N 2 2 344.459 3.069 20 0 EGADLP C[NH+](C)CCOc1cc(CNc2cc(C(F)(F)F)cc[nH+]2)ccn1 ZINC000270730664 456026390 /nfs/dbraw/zinc/02/63/90/456026390.db2.gz QWXTWBQLAOLTOW-UHFFFAOYSA-N 2 2 340.349 3.048 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000216050360 456028510 /nfs/dbraw/zinc/02/85/10/456028510.db2.gz IOUMFBAUVDTVFH-IAGOWNOFSA-N 2 2 339.483 3.043 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@@H]3C[C@@H](C)n4cc[nH+]c43)c(C)c2)CC1 ZINC000296964059 456076882 /nfs/dbraw/zinc/07/68/82/456076882.db2.gz RETBAHTWAGRBLN-VQIMIIECSA-N 2 2 339.487 3.451 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000271004665 456093554 /nfs/dbraw/zinc/09/35/54/456093554.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000271004665 456093560 /nfs/dbraw/zinc/09/35/60/456093560.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004665 456093565 /nfs/dbraw/zinc/09/35/65/456093565.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000271004665 456093571 /nfs/dbraw/zinc/09/35/71/456093571.db2.gz KWLJSHVKVJASGN-MSOLQXFVSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000301526456 456138654 /nfs/dbraw/zinc/13/86/54/456138654.db2.gz GEIIFRYHBNOOEG-UHFFFAOYSA-N 2 2 340.475 3.396 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C2CCC2)c1 ZINC000281117697 456138847 /nfs/dbraw/zinc/13/88/47/456138847.db2.gz BVNIYQHCWUPAOB-UHFFFAOYSA-N 2 2 343.515 3.052 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C2CCC2)c1 ZINC000281117697 456138851 /nfs/dbraw/zinc/13/88/51/456138851.db2.gz BVNIYQHCWUPAOB-UHFFFAOYSA-N 2 2 343.515 3.052 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)c2ccccc12 ZINC000297269516 456167638 /nfs/dbraw/zinc/16/76/38/456167638.db2.gz KQMUYYBVYASJPF-IAGOWNOFSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c2ccccc12 ZINC000297269516 456167642 /nfs/dbraw/zinc/16/76/42/456167642.db2.gz KQMUYYBVYASJPF-IAGOWNOFSA-N 2 2 342.483 3.346 20 0 EGADLP CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000281297618 456192159 /nfs/dbraw/zinc/19/21/59/456192159.db2.gz HRMBZLPHSKYTSB-UHFFFAOYSA-N 2 2 341.459 3.037 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000263702093 456196359 /nfs/dbraw/zinc/19/63/59/456196359.db2.gz LSGJHWOBDJEYLM-NRFANRHFSA-N 2 2 343.515 3.059 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000263702093 456196366 /nfs/dbraw/zinc/19/63/66/456196366.db2.gz LSGJHWOBDJEYLM-NRFANRHFSA-N 2 2 343.515 3.059 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620648669 460720534 /nfs/dbraw/zinc/72/05/34/460720534.db2.gz HTPFJMHKHCDJJJ-GOSISDBHSA-N 2 2 348.450 3.493 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620648669 460720541 /nfs/dbraw/zinc/72/05/41/460720541.db2.gz HTPFJMHKHCDJJJ-GOSISDBHSA-N 2 2 348.450 3.493 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000297594582 456259815 /nfs/dbraw/zinc/25/98/15/456259815.db2.gz FIZOIDWJFYDSGD-QGZVFWFLSA-N 2 2 337.427 3.240 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000297594582 456259820 /nfs/dbraw/zinc/25/98/20/456259820.db2.gz FIZOIDWJFYDSGD-QGZVFWFLSA-N 2 2 337.427 3.240 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302030837 456272013 /nfs/dbraw/zinc/27/20/13/456272013.db2.gz BXAYECCHDYZKMB-GOSISDBHSA-N 2 2 340.471 3.087 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302030837 456272015 /nfs/dbraw/zinc/27/20/15/456272015.db2.gz BXAYECCHDYZKMB-GOSISDBHSA-N 2 2 340.471 3.087 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)s1 ZINC000352759772 456282339 /nfs/dbraw/zinc/28/23/39/456282339.db2.gz LFNWLMNRPCEMIN-ZWKOTPCHSA-N 2 2 345.512 3.432 20 0 EGADLP Cc1cccc(C)c1OCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766006 456287584 /nfs/dbraw/zinc/28/75/84/456287584.db2.gz UMDIHGYLNJTXEK-UHFFFAOYSA-N 2 2 333.501 3.380 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176365 456293413 /nfs/dbraw/zinc/29/34/13/456293413.db2.gz WSPWPFAGQZZYLI-ICSRJNTNSA-N 3 2 338.499 3.187 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176365 456293418 /nfs/dbraw/zinc/29/34/18/456293418.db2.gz WSPWPFAGQZZYLI-ICSRJNTNSA-N 3 2 338.499 3.187 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178936 456294366 /nfs/dbraw/zinc/29/43/66/456294366.db2.gz SRSQAOYYPUFDDK-CEXWTWQISA-N 2 2 327.472 3.307 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178936 456294372 /nfs/dbraw/zinc/29/43/72/456294372.db2.gz SRSQAOYYPUFDDK-CEXWTWQISA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178936 456294382 /nfs/dbraw/zinc/29/43/82/456294382.db2.gz SRSQAOYYPUFDDK-CEXWTWQISA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178936 456294388 /nfs/dbraw/zinc/29/43/88/456294388.db2.gz SRSQAOYYPUFDDK-CEXWTWQISA-N 2 2 327.472 3.307 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790964 456308810 /nfs/dbraw/zinc/30/88/10/456308810.db2.gz MLISEUPXSJVSHF-VQIMIIECSA-N 2 2 338.451 3.210 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790964 456308813 /nfs/dbraw/zinc/30/88/13/456308813.db2.gz MLISEUPXSJVSHF-VQIMIIECSA-N 2 2 338.451 3.210 20 0 EGADLP O[C@@H]([C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198824 456309666 /nfs/dbraw/zinc/30/96/66/456309666.db2.gz CKUWBEWKJCFDEL-CVEARBPZSA-N 2 2 339.361 3.150 20 0 EGADLP O[C@@H]([C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198824 456309675 /nfs/dbraw/zinc/30/96/75/456309675.db2.gz CKUWBEWKJCFDEL-CVEARBPZSA-N 2 2 339.361 3.150 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1nc2ccccn2c1Br ZINC000290411438 456321159 /nfs/dbraw/zinc/32/11/59/456321159.db2.gz QDSLGAFHTKIWJR-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223359 456323434 /nfs/dbraw/zinc/32/34/34/456323434.db2.gz RVVGMQFUXKUPON-JXFKEZNVSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223359 456323445 /nfs/dbraw/zinc/32/34/45/456323445.db2.gz RVVGMQFUXKUPON-JXFKEZNVSA-N 2 2 343.515 3.157 20 0 EGADLP CN(C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000340254009 456343728 /nfs/dbraw/zinc/34/37/28/456343728.db2.gz FYTPUSIDOCRXJE-ICSRJNTNSA-N 2 2 343.515 3.203 20 0 EGADLP CN(C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000340254009 456343734 /nfs/dbraw/zinc/34/37/34/456343734.db2.gz FYTPUSIDOCRXJE-ICSRJNTNSA-N 2 2 343.515 3.203 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000352835186 456350385 /nfs/dbraw/zinc/35/03/85/456350385.db2.gz KHEDAXVVHHAGQO-VRXWPRPYSA-N 2 2 328.500 3.204 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000352835186 456350386 /nfs/dbraw/zinc/35/03/86/456350386.db2.gz KHEDAXVVHHAGQO-VRXWPRPYSA-N 2 2 328.500 3.204 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557602 456364746 /nfs/dbraw/zinc/36/47/46/456364746.db2.gz SDVNLMMVOPLOKB-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557602 456364748 /nfs/dbraw/zinc/36/47/48/456364748.db2.gz SDVNLMMVOPLOKB-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557602 456364752 /nfs/dbraw/zinc/36/47/52/456364752.db2.gz SDVNLMMVOPLOKB-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557602 456364757 /nfs/dbraw/zinc/36/47/57/456364757.db2.gz SDVNLMMVOPLOKB-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP CCN1CC[NH+](C[C@@H](C)CNc2cc(C)[nH+]c3c(F)cccc23)CC1 ZINC000302636092 456367466 /nfs/dbraw/zinc/36/74/66/456367466.db2.gz HIXMMVBJXRUWRW-HNNXBMFYSA-N 2 2 344.478 3.368 20 0 EGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Br)c1 ZINC000290581971 456372744 /nfs/dbraw/zinc/37/27/44/456372744.db2.gz UQZURXPHKIGNNW-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Br)c1 ZINC000290581971 456372747 /nfs/dbraw/zinc/37/27/47/456372747.db2.gz UQZURXPHKIGNNW-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581971 456372755 /nfs/dbraw/zinc/37/27/55/456372755.db2.gz UQZURXPHKIGNNW-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581971 456372760 /nfs/dbraw/zinc/37/27/60/456372760.db2.gz UQZURXPHKIGNNW-LRDDRELGSA-N 2 2 341.293 3.230 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000298260192 456407617 /nfs/dbraw/zinc/40/76/17/456407617.db2.gz GGOCCBZMSPNRKI-CYBMUJFWSA-N 2 2 342.487 3.234 20 0 EGADLP C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921232 456412897 /nfs/dbraw/zinc/41/28/97/456412897.db2.gz GTCLTFVJYXBTGE-YIONKMFJSA-N 2 2 343.393 3.080 20 0 EGADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921232 456412904 /nfs/dbraw/zinc/41/29/04/456412904.db2.gz GTCLTFVJYXBTGE-YIONKMFJSA-N 2 2 343.393 3.080 20 0 EGADLP C[NH+](Cc1ccc(OCC(F)(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921232 456412911 /nfs/dbraw/zinc/41/29/11/456412911.db2.gz GTCLTFVJYXBTGE-YIONKMFJSA-N 2 2 343.393 3.080 20 0 EGADLP C[NH+](Cc1ccc(OCC(F)(F)F)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921232 456412918 /nfs/dbraw/zinc/41/29/18/456412918.db2.gz GTCLTFVJYXBTGE-YIONKMFJSA-N 2 2 343.393 3.080 20 0 EGADLP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N2CCCC2)c1 ZINC000298542054 456484842 /nfs/dbraw/zinc/48/48/42/456484842.db2.gz TTZSPPHBRPHSOH-OAQYLSRUSA-N 2 2 343.515 3.049 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352929400 456421907 /nfs/dbraw/zinc/42/19/07/456421907.db2.gz GUUKPQZNQMOXLJ-CTNGQTDRSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000352929400 456421914 /nfs/dbraw/zinc/42/19/14/456421914.db2.gz GUUKPQZNQMOXLJ-CTNGQTDRSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352929400 456421921 /nfs/dbraw/zinc/42/19/21/456421921.db2.gz GUUKPQZNQMOXLJ-CTNGQTDRSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352929400 456421926 /nfs/dbraw/zinc/42/19/26/456421926.db2.gz GUUKPQZNQMOXLJ-CTNGQTDRSA-N 2 2 338.499 3.074 20 0 EGADLP CCCOc1c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cccc1OCC ZINC000352982244 456429296 /nfs/dbraw/zinc/42/92/96/456429296.db2.gz KLJWJSZKTFFFTL-AEFFLSMTSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cccc1OCC ZINC000352982244 456429299 /nfs/dbraw/zinc/42/92/99/456429299.db2.gz KLJWJSZKTFFFTL-AEFFLSMTSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cccc1OCC ZINC000352982244 456429302 /nfs/dbraw/zinc/42/93/02/456429302.db2.gz KLJWJSZKTFFFTL-AEFFLSMTSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cccc1OCC ZINC000352982244 456429303 /nfs/dbraw/zinc/42/93/03/456429303.db2.gz KLJWJSZKTFFFTL-AEFFLSMTSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466259 456523607 /nfs/dbraw/zinc/52/36/07/456523607.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466259 456523614 /nfs/dbraw/zinc/52/36/14/456523614.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466259 456523617 /nfs/dbraw/zinc/52/36/17/456523617.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466259 456523624 /nfs/dbraw/zinc/52/36/24/456523624.db2.gz OZTAOGZXQYIFLJ-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291119568 456535363 /nfs/dbraw/zinc/53/53/63/456535363.db2.gz UQMXMLFTXGDWKE-UHFFFAOYSA-N 2 2 344.858 3.344 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291119568 456535369 /nfs/dbraw/zinc/53/53/69/456535369.db2.gz UQMXMLFTXGDWKE-UHFFFAOYSA-N 2 2 344.858 3.344 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310731496 456583317 /nfs/dbraw/zinc/58/33/17/456583317.db2.gz CDZHDRBYRDKEPZ-CMTQZCSUSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310731496 456583318 /nfs/dbraw/zinc/58/33/18/456583318.db2.gz CDZHDRBYRDKEPZ-CMTQZCSUSA-N 2 2 344.499 3.361 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000348289168 456601572 /nfs/dbraw/zinc/60/15/72/456601572.db2.gz ILXSFBGNBDEAFD-GOSISDBHSA-N 2 2 339.483 3.474 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000348289168 456601575 /nfs/dbraw/zinc/60/15/75/456601575.db2.gz ILXSFBGNBDEAFD-GOSISDBHSA-N 2 2 339.483 3.474 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000348309940 456614003 /nfs/dbraw/zinc/61/40/03/456614003.db2.gz TXXUOFJYSRDWIF-HNNXBMFYSA-N 2 2 339.443 3.296 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)c3ccncc3F)sc2C1 ZINC000337953137 456618764 /nfs/dbraw/zinc/61/87/64/456618764.db2.gz YKKYIXKWJJKQLS-GFCCVEGCSA-N 2 2 334.464 3.295 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)c3ccncc3F)sc2C1 ZINC000337953137 456618770 /nfs/dbraw/zinc/61/87/70/456618770.db2.gz YKKYIXKWJJKQLS-GFCCVEGCSA-N 2 2 334.464 3.295 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447484 456626993 /nfs/dbraw/zinc/62/69/93/456626993.db2.gz PHKPSHPWCGPOMJ-CRAIPNDOSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447484 456626999 /nfs/dbraw/zinc/62/69/99/456626999.db2.gz PHKPSHPWCGPOMJ-CRAIPNDOSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1cc(OCC[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1C(C)C ZINC000340706382 456640341 /nfs/dbraw/zinc/64/03/41/456640341.db2.gz ANDABEJVTZHJRS-UHFFFAOYSA-N 2 2 342.487 3.053 20 0 EGADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000337997222 456644403 /nfs/dbraw/zinc/64/44/03/456644403.db2.gz LQRKLXRBVYOIBE-ICSRJNTNSA-N 3 2 348.510 3.102 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)Cn1cc[nH+]c1 ZINC000299316157 456655079 /nfs/dbraw/zinc/65/50/79/456655079.db2.gz GUQIYVGAOLLAQA-ZDUSSCGKSA-N 2 2 335.835 3.124 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000282907876 456661722 /nfs/dbraw/zinc/66/17/22/456661722.db2.gz XETVCVBVASIIPL-CQSZACIVSA-N 2 2 338.459 3.378 20 0 EGADLP C[C@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)[N@H+](C)C1CC1 ZINC000338171207 456681425 /nfs/dbraw/zinc/68/14/25/456681425.db2.gz CKSHJGLEJAJDCX-CQSZACIVSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)[N@@H+](C)C1CC1 ZINC000338171207 456681426 /nfs/dbraw/zinc/68/14/26/456681426.db2.gz CKSHJGLEJAJDCX-CQSZACIVSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000343581723 456721792 /nfs/dbraw/zinc/72/17/92/456721792.db2.gz NNMCZLQMMRKFLW-INIZCTEOSA-N 2 2 349.438 3.271 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1-n1ccnn1 ZINC000353523880 456735183 /nfs/dbraw/zinc/73/51/83/456735183.db2.gz UPSUKZKOOVBCCB-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000283201973 456735979 /nfs/dbraw/zinc/73/59/79/456735979.db2.gz LIOZYBWPEVWREC-FYQPLNBISA-N 2 2 342.483 3.385 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000283201973 456735983 /nfs/dbraw/zinc/73/59/83/456735983.db2.gz LIOZYBWPEVWREC-FYQPLNBISA-N 2 2 342.483 3.385 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)[NH+]1CCCCCC1 ZINC000338259666 456737895 /nfs/dbraw/zinc/73/78/95/456737895.db2.gz XVGLYIBBQFQQRP-MAUKXSAKSA-N 2 2 349.906 3.077 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280987 456757867 /nfs/dbraw/zinc/75/78/67/456757867.db2.gz SJNMVDLHMXXGTH-AZUAARDMSA-N 2 2 349.494 3.055 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000277280987 456757876 /nfs/dbraw/zinc/75/78/76/456757876.db2.gz SJNMVDLHMXXGTH-AZUAARDMSA-N 2 2 349.494 3.055 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1OCCc2sccc21 ZINC000291890523 456788648 /nfs/dbraw/zinc/78/86/48/456788648.db2.gz KLOWANVAQACVST-IFXJQAMLSA-N 2 2 343.496 3.404 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283509209 456793492 /nfs/dbraw/zinc/79/34/92/456793492.db2.gz ZIGXOQPKGJFECY-BWMZKYQQSA-N 2 2 342.483 3.383 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000283509209 456793499 /nfs/dbraw/zinc/79/34/99/456793499.db2.gz ZIGXOQPKGJFECY-BWMZKYQQSA-N 2 2 342.483 3.383 20 0 EGADLP Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc(C(C)C)[nH+]1 ZINC000301094090 456795668 /nfs/dbraw/zinc/79/56/68/456795668.db2.gz LXVZUZZETVPZDV-UHFFFAOYSA-N 2 2 325.460 3.380 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC1CC[NH+](CC)CC1 ZINC000301114546 456799500 /nfs/dbraw/zinc/79/95/00/456799500.db2.gz NXXGGTBVYIQVSH-UHFFFAOYSA-N 2 2 327.428 3.308 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000277401811 456812372 /nfs/dbraw/zinc/81/23/72/456812372.db2.gz ZNISOSHFSNXVCN-GOSISDBHSA-N 2 2 331.504 3.339 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000277401811 456812378 /nfs/dbraw/zinc/81/23/78/456812378.db2.gz ZNISOSHFSNXVCN-GOSISDBHSA-N 2 2 331.504 3.339 20 0 EGADLP Cc1c[nH+]c(CNC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)n1C ZINC000341117589 456817577 /nfs/dbraw/zinc/81/75/77/456817577.db2.gz DCHQQVGTDIFSCL-IBGZPJMESA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)nc[nH+]1 ZINC000301231166 456827729 /nfs/dbraw/zinc/82/77/29/456827729.db2.gz IYSSFJSNPBOKMV-HZPDHXFCSA-N 2 2 326.444 3.006 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCN([C@@H](C)c3ccccc3)C1)CCC2 ZINC000344511992 456833878 /nfs/dbraw/zinc/83/38/78/456833878.db2.gz JRZDUPIRFMTIKQ-IHPCNDPISA-N 2 2 338.499 3.494 20 0 EGADLP Cc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510154 456870321 /nfs/dbraw/zinc/87/03/21/456870321.db2.gz YKGONNSODZCIOP-GOSISDBHSA-N 2 2 336.483 3.061 20 0 EGADLP Cc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510154 456870325 /nfs/dbraw/zinc/87/03/25/456870325.db2.gz YKGONNSODZCIOP-GOSISDBHSA-N 2 2 336.483 3.061 20 0 EGADLP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341513987 456872789 /nfs/dbraw/zinc/87/27/89/456872789.db2.gz UYUVXSRZXSFFAB-YLJYHZDGSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341513981 456872910 /nfs/dbraw/zinc/87/29/10/456872910.db2.gz UYUVXSRZXSFFAB-FXAWDEMLSA-N 2 2 331.504 3.231 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cs2)cc1 ZINC000292164574 456874416 /nfs/dbraw/zinc/87/44/16/456874416.db2.gz OXTUNDDPNQDXTQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cs2)cc1 ZINC000292164574 456874421 /nfs/dbraw/zinc/87/44/21/456874421.db2.gz OXTUNDDPNQDXTQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cs2)cc1 ZINC000292164574 456874428 /nfs/dbraw/zinc/87/44/28/456874428.db2.gz OXTUNDDPNQDXTQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cs2)cc1 ZINC000292164574 456874432 /nfs/dbraw/zinc/87/44/32/456874432.db2.gz OXTUNDDPNQDXTQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP CN(c1ccccc1C[N@@H+]1CCC[C@@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000348830801 456875609 /nfs/dbraw/zinc/87/56/09/456875609.db2.gz DSFBWWYFQKBUJF-GOSISDBHSA-N 2 2 337.458 3.447 20 0 EGADLP CN(c1ccccc1C[N@H+]1CCC[C@@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000348830801 456875613 /nfs/dbraw/zinc/87/56/13/456875613.db2.gz DSFBWWYFQKBUJF-GOSISDBHSA-N 2 2 337.458 3.447 20 0 EGADLP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574085 456910606 /nfs/dbraw/zinc/91/06/06/456910606.db2.gz JOWMFONNRSMGAT-GPMSIDNRSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574085 456910611 /nfs/dbraw/zinc/91/06/11/456910611.db2.gz JOWMFONNRSMGAT-GPMSIDNRSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[NH+]1C[C@H](c1noc([C@H]3CCC[N@@H+]3C3CCCC3)n1)OC2 ZINC000329574085 456910616 /nfs/dbraw/zinc/91/06/16/456910616.db2.gz JOWMFONNRSMGAT-GPMSIDNRSA-N 2 2 346.475 3.075 20 0 EGADLP Cc1ccc(CCCNc2ccc(C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000353826129 456925213 /nfs/dbraw/zinc/92/52/13/456925213.db2.gz DTPQLADWVMBSCX-UHFFFAOYSA-N 2 2 325.456 3.267 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000345122845 456933230 /nfs/dbraw/zinc/93/32/30/456933230.db2.gz AKYHSNGFHDYFJA-HOCLYGCPSA-N 2 2 331.485 3.034 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)[C@H](C)C1 ZINC000341777293 456940067 /nfs/dbraw/zinc/94/00/67/456940067.db2.gz VRYNBWPHRNRIRB-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)[C@H](C)C1 ZINC000341777293 456940072 /nfs/dbraw/zinc/94/00/72/456940072.db2.gz VRYNBWPHRNRIRB-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@H]1CN(Cc2ccc(Cl)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349327071 456943610 /nfs/dbraw/zinc/94/36/10/456943610.db2.gz FLYBXRRRILYKID-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2ccc(Cl)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349327071 456943612 /nfs/dbraw/zinc/94/36/12/456943612.db2.gz FLYBXRRRILYKID-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000341788541 456945287 /nfs/dbraw/zinc/94/52/87/456945287.db2.gz BRMCJJVGAKBAKZ-WOJBJXKFSA-N 2 2 343.515 3.117 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000341788541 456945289 /nfs/dbraw/zinc/94/52/89/456945289.db2.gz BRMCJJVGAKBAKZ-WOJBJXKFSA-N 2 2 343.515 3.117 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349386979 456961017 /nfs/dbraw/zinc/96/10/17/456961017.db2.gz TVTCYJPFHJORAI-UHFFFAOYSA-N 2 2 341.434 3.347 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)c1 ZINC000353933749 456970630 /nfs/dbraw/zinc/97/06/30/456970630.db2.gz WDNLZXMVKAUVLC-UHFFFAOYSA-N 2 2 341.411 3.294 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c[nH+]1 ZINC000353933273 456971192 /nfs/dbraw/zinc/97/11/92/456971192.db2.gz ORRCNUVXEYPQCP-FQEVSTJZSA-N 2 2 337.467 3.276 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341916325 457000159 /nfs/dbraw/zinc/00/01/59/457000159.db2.gz WBAUWFCGTHONLN-ZDUSSCGKSA-N 2 2 338.377 3.289 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341916325 457000167 /nfs/dbraw/zinc/00/01/67/457000167.db2.gz WBAUWFCGTHONLN-ZDUSSCGKSA-N 2 2 338.377 3.289 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1SC ZINC000354026253 457019451 /nfs/dbraw/zinc/01/94/51/457019451.db2.gz PYYWKBNEZSNEBU-INIZCTEOSA-N 2 2 330.453 3.465 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1SC ZINC000354026253 457019456 /nfs/dbraw/zinc/01/94/56/457019456.db2.gz PYYWKBNEZSNEBU-INIZCTEOSA-N 2 2 330.453 3.465 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036544 457024839 /nfs/dbraw/zinc/02/48/39/457024839.db2.gz ABRFFETXQREGSG-OALUTQOASA-N 2 2 343.515 3.458 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036544 457024845 /nfs/dbraw/zinc/02/48/45/457024845.db2.gz ABRFFETXQREGSG-OALUTQOASA-N 2 2 343.515 3.458 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000346472056 457046082 /nfs/dbraw/zinc/04/60/82/457046082.db2.gz AQGHMJSMIQMSDR-WMLDXEAASA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000346472056 457046088 /nfs/dbraw/zinc/04/60/88/457046088.db2.gz AQGHMJSMIQMSDR-WMLDXEAASA-N 2 2 343.402 3.009 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccn(C)n1 ZINC000349771787 457047017 /nfs/dbraw/zinc/04/70/17/457047017.db2.gz AHWJSRQQYPYDNK-YJBOKZPZSA-N 2 2 327.476 3.081 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000354088511 457053672 /nfs/dbraw/zinc/05/36/72/457053672.db2.gz QQDBFUKVUMBADB-INIZCTEOSA-N 2 2 339.549 3.373 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000354088511 457053676 /nfs/dbraw/zinc/05/36/76/457053676.db2.gz QQDBFUKVUMBADB-INIZCTEOSA-N 2 2 339.549 3.373 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354107116 457067230 /nfs/dbraw/zinc/06/72/30/457067230.db2.gz NWQSNNLHIGKJRR-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354107116 457067235 /nfs/dbraw/zinc/06/72/35/457067235.db2.gz NWQSNNLHIGKJRR-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354107116 457067240 /nfs/dbraw/zinc/06/72/40/457067240.db2.gz NWQSNNLHIGKJRR-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354107116 457067243 /nfs/dbraw/zinc/06/72/43/457067243.db2.gz NWQSNNLHIGKJRR-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000354109251 457068774 /nfs/dbraw/zinc/06/87/74/457068774.db2.gz JOCVTSIKYVIABQ-FPOVZHCZSA-N 2 2 344.499 3.187 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N3CCC(CCC[NH+](C)C)CC3)cc2n1C ZINC000356585660 457069179 /nfs/dbraw/zinc/06/91/79/457069179.db2.gz ATWHIPACROWWOS-UHFFFAOYSA-N 2 2 342.487 3.076 20 0 EGADLP Cc1sc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c(C)c1C ZINC000359274065 457071674 /nfs/dbraw/zinc/07/16/74/457071674.db2.gz AQMAJEKCEBBXQD-UHFFFAOYSA-N 2 2 345.512 3.463 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C)c1C ZINC000359274065 457071678 /nfs/dbraw/zinc/07/16/78/457071678.db2.gz AQMAJEKCEBBXQD-UHFFFAOYSA-N 2 2 345.512 3.463 20 0 EGADLP Cc1nc(C[NH+]2CCC(c3nc([C@@H]([NH3+])CC(C)C)no3)CC2)cs1 ZINC000339387630 457084629 /nfs/dbraw/zinc/08/46/29/457084629.db2.gz MRKXZLBLUCNYNX-HNNXBMFYSA-N 2 2 349.504 3.260 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(Cc4ccccc4)n3)C[C@@H]21 ZINC000342097513 457107583 /nfs/dbraw/zinc/10/75/83/457107583.db2.gz HYMVLONEASXTJR-RYQLBKOJSA-N 2 2 327.497 3.293 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(Cc4ccccc4)n3)C[C@@H]21 ZINC000342097513 457107590 /nfs/dbraw/zinc/10/75/90/457107590.db2.gz HYMVLONEASXTJR-RYQLBKOJSA-N 2 2 327.497 3.293 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)CCC2 ZINC000359669414 457108320 /nfs/dbraw/zinc/10/83/20/457108320.db2.gz CRJRNXUSFCMDAH-JXXFODFXSA-N 2 2 332.488 3.162 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346693132 457114897 /nfs/dbraw/zinc/11/48/97/457114897.db2.gz KXGJALMFSLXFBT-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346693132 457114904 /nfs/dbraw/zinc/11/49/04/457114904.db2.gz KXGJALMFSLXFBT-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693502 457115382 /nfs/dbraw/zinc/11/53/82/457115382.db2.gz NKQUXSBGDNZSBM-MWLCHTKSSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693502 457115388 /nfs/dbraw/zinc/11/53/88/457115388.db2.gz NKQUXSBGDNZSBM-MWLCHTKSSA-N 2 2 349.219 3.220 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433471 457116983 /nfs/dbraw/zinc/11/69/83/457116983.db2.gz LPGYWYZZKHRZGU-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433471 457116986 /nfs/dbraw/zinc/11/69/86/457116986.db2.gz LPGYWYZZKHRZGU-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433471 457116992 /nfs/dbraw/zinc/11/69/92/457116992.db2.gz LPGYWYZZKHRZGU-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433471 457116997 /nfs/dbraw/zinc/11/69/97/457116997.db2.gz LPGYWYZZKHRZGU-FPOVZHCZSA-N 2 2 343.515 3.014 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435823 457117822 /nfs/dbraw/zinc/11/78/22/457117822.db2.gz DNRIGDJRKYCNAA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339435823 457117830 /nfs/dbraw/zinc/11/78/30/457117830.db2.gz DNRIGDJRKYCNAA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339435823 457117834 /nfs/dbraw/zinc/11/78/34/457117834.db2.gz DNRIGDJRKYCNAA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339435823 457117843 /nfs/dbraw/zinc/11/78/43/457117843.db2.gz DNRIGDJRKYCNAA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851249 457124203 /nfs/dbraw/zinc/12/42/03/457124203.db2.gz MJKGRKSWMOTHAL-IAGOWNOFSA-N 2 2 348.535 3.133 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851249 457124210 /nfs/dbraw/zinc/12/42/10/457124210.db2.gz MJKGRKSWMOTHAL-IAGOWNOFSA-N 2 2 348.535 3.133 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609282 457172695 /nfs/dbraw/zinc/17/26/95/457172695.db2.gz SNKNDMFUSYJHKO-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609282 457172699 /nfs/dbraw/zinc/17/26/99/457172699.db2.gz SNKNDMFUSYJHKO-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609282 457172704 /nfs/dbraw/zinc/17/27/04/457172704.db2.gz SNKNDMFUSYJHKO-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609282 457172711 /nfs/dbraw/zinc/17/27/11/457172711.db2.gz SNKNDMFUSYJHKO-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccnc2)c[nH+]1 ZINC000362974026 457181255 /nfs/dbraw/zinc/18/12/55/457181255.db2.gz PVCFLKYGBRGQDU-UHFFFAOYSA-N 2 2 344.422 3.006 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356863419 457184067 /nfs/dbraw/zinc/18/40/67/457184067.db2.gz KKPPEOOBDYZDIH-UHFFFAOYSA-N 2 2 346.441 3.051 20 0 EGADLP CCc1cc(N2CC[N@@H+](CC)[C@H](c3ncc[nH]3)C2)c2ccccc2[nH+]1 ZINC000359992034 457191002 /nfs/dbraw/zinc/19/10/02/457191002.db2.gz JGSLUWOJCCJZLR-IBGZPJMESA-N 2 2 335.455 3.404 20 0 EGADLP CCc1cc(N2CC[N@H+](CC)[C@H](c3ncc[nH]3)C2)c2ccccc2[nH+]1 ZINC000359992034 457191005 /nfs/dbraw/zinc/19/10/05/457191005.db2.gz JGSLUWOJCCJZLR-IBGZPJMESA-N 2 2 335.455 3.404 20 0 EGADLP CCc1cc(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000359992034 457191010 /nfs/dbraw/zinc/19/10/10/457191010.db2.gz JGSLUWOJCCJZLR-IBGZPJMESA-N 2 2 335.455 3.404 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044570 457201559 /nfs/dbraw/zinc/20/15/59/457201559.db2.gz NHZUEKYIDMVZQE-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044570 457201563 /nfs/dbraw/zinc/20/15/63/457201563.db2.gz NHZUEKYIDMVZQE-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP Cc1ccc(CCC[NH2+]CCCc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000354416147 457207086 /nfs/dbraw/zinc/20/70/86/457207086.db2.gz OGVMOEVSLSKIHX-UHFFFAOYSA-N 2 2 326.440 3.316 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000360030127 457212975 /nfs/dbraw/zinc/21/29/75/457212975.db2.gz UQFFTESDRBVMHB-QAPCUYQASA-N 2 2 344.503 3.448 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000360030127 457212982 /nfs/dbraw/zinc/21/29/82/457212982.db2.gz UQFFTESDRBVMHB-QAPCUYQASA-N 2 2 344.503 3.448 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000360046629 457223777 /nfs/dbraw/zinc/22/37/77/457223777.db2.gz QYZCDVIRVHYBPS-BQJUDKOJSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000360046629 457223782 /nfs/dbraw/zinc/22/37/82/457223782.db2.gz QYZCDVIRVHYBPS-BQJUDKOJSA-N 2 2 340.511 3.444 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342304415 457226218 /nfs/dbraw/zinc/22/62/18/457226218.db2.gz IGBRURZVGJJCEJ-FXAWDEMLSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342304415 457226225 /nfs/dbraw/zinc/22/62/25/457226225.db2.gz IGBRURZVGJJCEJ-FXAWDEMLSA-N 2 2 338.499 3.290 20 0 EGADLP Cc1ccn2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cnc2c1 ZINC000342312873 457230941 /nfs/dbraw/zinc/23/09/41/457230941.db2.gz MJWMUGPGKOLOMQ-PXNSSMCTSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1ccn2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cnc2c1 ZINC000342312873 457230947 /nfs/dbraw/zinc/23/09/47/457230947.db2.gz MJWMUGPGKOLOMQ-PXNSSMCTSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc(O)c2n1 ZINC000347114918 457236840 /nfs/dbraw/zinc/23/68/40/457236840.db2.gz BQNVEIRXYAWLLW-QGZVFWFLSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1ccc2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc(O)c2n1 ZINC000347114918 457236846 /nfs/dbraw/zinc/23/68/46/457236846.db2.gz BQNVEIRXYAWLLW-QGZVFWFLSA-N 2 2 335.407 3.297 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C[C@H]1C ZINC000331760100 457246803 /nfs/dbraw/zinc/24/68/03/457246803.db2.gz AVDVSRVPKKYGPT-MXASKKJJSA-N 2 2 333.476 3.026 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)c[nH+]1 ZINC000354488962 457254773 /nfs/dbraw/zinc/25/47/73/457254773.db2.gz AYOGVQBWIQNDDT-SFHVURJKSA-N 2 2 333.426 3.493 20 0 EGADLP CCC[N@H+](Cc1ccc(OC)c(OC)c1Cl)C1CC[NH2+]CC1 ZINC000347166614 457266221 /nfs/dbraw/zinc/26/62/21/457266221.db2.gz KKLBPIRPPPKWAW-UHFFFAOYSA-N 2 2 326.868 3.321 20 0 EGADLP CCC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C1CC[NH2+]CC1 ZINC000347166614 457266225 /nfs/dbraw/zinc/26/62/25/457266225.db2.gz KKLBPIRPPPKWAW-UHFFFAOYSA-N 2 2 326.868 3.321 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H]1C[NH3+] ZINC000347188977 457278595 /nfs/dbraw/zinc/27/85/95/457278595.db2.gz CWPNRDUHVQYRRF-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H]1C[NH3+] ZINC000347188977 457278599 /nfs/dbraw/zinc/27/85/99/457278599.db2.gz CWPNRDUHVQYRRF-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@H+](CC[NH3+])Cc3ccccc3)cc2)n1 ZINC000342403217 457283495 /nfs/dbraw/zinc/28/34/95/457283495.db2.gz SFJAAWYIBKFUBM-UHFFFAOYSA-N 2 2 334.467 3.450 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@@H+](CC[NH3+])Cc3ccccc3)cc2)n1 ZINC000342403217 457283499 /nfs/dbraw/zinc/28/34/99/457283499.db2.gz SFJAAWYIBKFUBM-UHFFFAOYSA-N 2 2 334.467 3.450 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355221880 457350238 /nfs/dbraw/zinc/35/02/38/457350238.db2.gz ORZGYBDFLNHYBD-FQEVSTJZSA-N 2 2 346.478 3.484 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355221880 457350241 /nfs/dbraw/zinc/35/02/41/457350241.db2.gz ORZGYBDFLNHYBD-FQEVSTJZSA-N 2 2 346.478 3.484 20 0 EGADLP COc1cncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439107 457367570 /nfs/dbraw/zinc/36/75/70/457367570.db2.gz JQBGIPCRQSOCMD-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439107 457367571 /nfs/dbraw/zinc/36/75/71/457367571.db2.gz JQBGIPCRQSOCMD-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439107 457367572 /nfs/dbraw/zinc/36/75/72/457367572.db2.gz JQBGIPCRQSOCMD-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439107 457367573 /nfs/dbraw/zinc/36/75/73/457367573.db2.gz JQBGIPCRQSOCMD-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000352488212 457409720 /nfs/dbraw/zinc/40/97/20/457409720.db2.gz NLTXZUDKEZRZRP-RYRKJORJSA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000352488212 457409729 /nfs/dbraw/zinc/40/97/29/457409729.db2.gz NLTXZUDKEZRZRP-RYRKJORJSA-N 2 2 332.488 3.359 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000352503987 457423291 /nfs/dbraw/zinc/42/32/91/457423291.db2.gz LYQHXZLOGMBBCB-INIZCTEOSA-N 2 2 342.462 3.203 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000352503987 457423298 /nfs/dbraw/zinc/42/32/98/457423298.db2.gz LYQHXZLOGMBBCB-INIZCTEOSA-N 2 2 342.462 3.203 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000352535214 457446535 /nfs/dbraw/zinc/44/65/35/457446535.db2.gz NWUKIZMCMFUTFC-MRXNPFEDSA-N 2 2 346.368 3.342 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000352535214 457446541 /nfs/dbraw/zinc/44/65/41/457446541.db2.gz NWUKIZMCMFUTFC-MRXNPFEDSA-N 2 2 346.368 3.342 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCCOCc3ccccc3)CC2)c1 ZINC000347467959 457448873 /nfs/dbraw/zinc/44/88/73/457448873.db2.gz RWAMSYYALCQWGG-UHFFFAOYSA-N 2 2 325.456 3.119 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2[nH+]1 ZINC000392656378 457460327 /nfs/dbraw/zinc/46/03/27/457460327.db2.gz XXOLOBYUMWRHHS-UHFFFAOYSA-N 2 2 334.423 3.131 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000342726893 457482572 /nfs/dbraw/zinc/48/25/72/457482572.db2.gz BMDTYGHZBQGDFK-VAMGGRTRSA-N 2 2 345.531 3.363 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000342726893 457482576 /nfs/dbraw/zinc/48/25/76/457482576.db2.gz BMDTYGHZBQGDFK-VAMGGRTRSA-N 2 2 345.531 3.363 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312847 457493152 /nfs/dbraw/zinc/49/31/52/457493152.db2.gz HKQZZECAZHBNKC-FUHWJXTLSA-N 2 2 342.487 3.168 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312847 457493156 /nfs/dbraw/zinc/49/31/56/457493156.db2.gz HKQZZECAZHBNKC-FUHWJXTLSA-N 2 2 342.487 3.168 20 0 EGADLP CC(C)[NH+](CCN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000356165862 457500146 /nfs/dbraw/zinc/50/01/46/457500146.db2.gz NMNQXDZYHLXJJH-UHFFFAOYSA-N 2 2 342.487 3.122 20 0 EGADLP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339564 457503230 /nfs/dbraw/zinc/50/32/30/457503230.db2.gz CQWJDMBJWFOLAL-KSSFIOAISA-N 2 2 328.460 3.078 20 0 EGADLP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339564 457503236 /nfs/dbraw/zinc/50/32/36/457503236.db2.gz CQWJDMBJWFOLAL-KSSFIOAISA-N 2 2 328.460 3.078 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)n1C ZINC000425337196 457504442 /nfs/dbraw/zinc/50/44/42/457504442.db2.gz MXYNIJXDNDYSLO-UHFFFAOYSA-N 2 2 342.365 3.017 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)n1C ZINC000425337196 457504451 /nfs/dbraw/zinc/50/44/51/457504451.db2.gz MXYNIJXDNDYSLO-UHFFFAOYSA-N 2 2 342.365 3.017 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400369113 457513757 /nfs/dbraw/zinc/51/37/57/457513757.db2.gz GJGFXOHVGAIILC-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352672728 457520012 /nfs/dbraw/zinc/52/00/12/457520012.db2.gz AFGMVZYACZPMNC-RVKKMQEKSA-N 2 2 344.503 3.492 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352672728 457520019 /nfs/dbraw/zinc/52/00/19/457520019.db2.gz AFGMVZYACZPMNC-RVKKMQEKSA-N 2 2 344.503 3.492 20 0 EGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000425386517 457531488 /nfs/dbraw/zinc/53/14/88/457531488.db2.gz TXIAPHQLYNBCDL-KXBFYZLASA-N 2 2 347.478 3.397 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712021 457550518 /nfs/dbraw/zinc/55/05/18/457550518.db2.gz BRRNRENGDWWDTB-RXVVDRJESA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712021 457550522 /nfs/dbraw/zinc/55/05/22/457550522.db2.gz BRRNRENGDWWDTB-RXVVDRJESA-N 2 2 341.499 3.086 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000361089401 457576116 /nfs/dbraw/zinc/57/61/16/457576116.db2.gz VOKMGDOBHRXSDW-UHFFFAOYSA-N 2 2 347.484 3.424 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361292103 457681169 /nfs/dbraw/zinc/68/11/69/457681169.db2.gz XXPPJGZFRZOERJ-AZUAARDMSA-N 2 2 346.515 3.200 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)nnn1-c1ccccc1 ZINC000357880912 457722594 /nfs/dbraw/zinc/72/25/94/457722594.db2.gz QYVJORVHICFFFO-INIZCTEOSA-N 2 2 341.503 3.348 20 0 EGADLP Clc1cccc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000358013464 457739178 /nfs/dbraw/zinc/73/91/78/457739178.db2.gz AXAWUTJBNNBLGA-UHFFFAOYSA-N 2 2 345.874 3.368 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccncc2)C1 ZINC000426170799 457781214 /nfs/dbraw/zinc/78/12/14/457781214.db2.gz QRVUBVUZYUPMEO-DDKKJVIOSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccncc2)C1 ZINC000426170799 457781220 /nfs/dbraw/zinc/78/12/20/457781220.db2.gz QRVUBVUZYUPMEO-DDKKJVIOSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccncc2)C1 ZINC000426170799 457781227 /nfs/dbraw/zinc/78/12/27/457781227.db2.gz QRVUBVUZYUPMEO-DDKKJVIOSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000426170799 457781233 /nfs/dbraw/zinc/78/12/33/457781233.db2.gz QRVUBVUZYUPMEO-DDKKJVIOSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)cc2c1 ZINC000411186070 457824159 /nfs/dbraw/zinc/82/41/59/457824159.db2.gz INQNSBJAVONZJU-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc2c1 ZINC000411186070 457824170 /nfs/dbraw/zinc/82/41/70/457824170.db2.gz INQNSBJAVONZJU-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358161010 457824670 /nfs/dbraw/zinc/82/46/70/457824670.db2.gz QQTOSYHNRUCLRM-KUHUBIRLSA-N 2 2 325.387 3.396 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)cc1O ZINC000426415508 457827121 /nfs/dbraw/zinc/82/71/21/457827121.db2.gz DOKAJZPVNZESKB-SJORKVTESA-N 2 2 334.504 3.432 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749384 457832023 /nfs/dbraw/zinc/83/20/23/457832023.db2.gz DQBMESCROJVFFV-WWGRRREGSA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749384 457832030 /nfs/dbraw/zinc/83/20/30/457832030.db2.gz DQBMESCROJVFFV-WWGRRREGSA-N 2 2 347.894 3.362 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077883 457848669 /nfs/dbraw/zinc/84/86/69/457848669.db2.gz UNBLGHJSIWSSRY-QFBILLFUSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077883 457848674 /nfs/dbraw/zinc/84/86/74/457848674.db2.gz UNBLGHJSIWSSRY-QFBILLFUSA-N 2 2 332.451 3.374 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444089814 457851363 /nfs/dbraw/zinc/85/13/63/457851363.db2.gz YGLSPLXQTJSCTB-GOSISDBHSA-N 2 2 332.451 3.028 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444089814 457851366 /nfs/dbraw/zinc/85/13/66/457851366.db2.gz YGLSPLXQTJSCTB-GOSISDBHSA-N 2 2 332.451 3.028 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4C[C@]45CC[NH2+]C5)cc3)[nH+]c12 ZINC000444172241 457861795 /nfs/dbraw/zinc/86/17/95/457861795.db2.gz XGZKZSWAFPYMCF-UWJYYQICSA-N 2 2 346.434 3.248 20 0 EGADLP Cc1ccn2c(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)cnc2c1 ZINC000433764709 457881410 /nfs/dbraw/zinc/88/14/10/457881410.db2.gz ZTOMTOXIAKJMMN-INIZCTEOSA-N 2 2 335.455 3.165 20 0 EGADLP Cc1ccn2c(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)cnc2c1 ZINC000433764709 457881416 /nfs/dbraw/zinc/88/14/16/457881416.db2.gz ZTOMTOXIAKJMMN-INIZCTEOSA-N 2 2 335.455 3.165 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000361824753 457887021 /nfs/dbraw/zinc/88/70/21/457887021.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 3 2 326.488 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000361824753 457887025 /nfs/dbraw/zinc/88/70/25/457887025.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 3 2 326.488 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000361824753 457887028 /nfs/dbraw/zinc/88/70/28/457887028.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 3 2 326.488 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000361824753 457887033 /nfs/dbraw/zinc/88/70/33/457887033.db2.gz GLPOODSMWPUAEF-LJQANCHMSA-N 3 2 326.488 3.487 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253492 457889908 /nfs/dbraw/zinc/88/99/08/457889908.db2.gz NVBLEDIXFWWKDO-IINYFYTJSA-N 2 2 335.300 3.089 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253492 457889911 /nfs/dbraw/zinc/88/99/11/457889911.db2.gz NVBLEDIXFWWKDO-IINYFYTJSA-N 2 2 335.300 3.089 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358315782 457929327 /nfs/dbraw/zinc/92/93/27/457929327.db2.gz HATOSNUFFOTZIC-FUHWJXTLSA-N 2 2 341.455 3.251 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361893481 457936468 /nfs/dbraw/zinc/93/64/68/457936468.db2.gz QPWXKGJJNXBEQW-XKGZKEIXSA-N 2 2 342.483 3.376 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361893481 457936472 /nfs/dbraw/zinc/93/64/72/457936472.db2.gz QPWXKGJJNXBEQW-XKGZKEIXSA-N 2 2 342.483 3.376 20 0 EGADLP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)OC ZINC000358341532 457944766 /nfs/dbraw/zinc/94/47/66/457944766.db2.gz OJLDOYWNXZIAAI-HXUWFJFHSA-N 2 2 333.520 3.477 20 0 EGADLP CCCCCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427136273 457948302 /nfs/dbraw/zinc/94/83/02/457948302.db2.gz MZJFOCDJEQBRCH-ROUUACIJSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OC ZINC000427136273 457948314 /nfs/dbraw/zinc/94/83/14/457948314.db2.gz MZJFOCDJEQBRCH-ROUUACIJSA-N 2 2 332.488 3.448 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929753 457962090 /nfs/dbraw/zinc/96/20/90/457962090.db2.gz ZOMLJKFGPHBNHI-YJBOKZPZSA-N 2 2 329.513 3.358 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929753 457962095 /nfs/dbraw/zinc/96/20/95/457962095.db2.gz ZOMLJKFGPHBNHI-YJBOKZPZSA-N 2 2 329.513 3.358 20 0 EGADLP CC1(C)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@]1=O ZINC000411798944 457981400 /nfs/dbraw/zinc/98/14/00/457981400.db2.gz VPJOWOXWQKJEPL-XMMPIXPASA-N 2 2 348.556 3.406 20 0 EGADLP CC1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@]1=O ZINC000411798944 457981406 /nfs/dbraw/zinc/98/14/06/457981406.db2.gz VPJOWOXWQKJEPL-XMMPIXPASA-N 2 2 348.556 3.406 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N[C@@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873810 457991556 /nfs/dbraw/zinc/99/15/56/457991556.db2.gz JOCYSTXESRZLDO-WBVHZDCISA-N 2 2 341.421 3.048 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@@H](N[C@@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873810 457991563 /nfs/dbraw/zinc/99/15/63/457991563.db2.gz JOCYSTXESRZLDO-WBVHZDCISA-N 2 2 341.421 3.048 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(CC)noc2CC)[C@H](C)C1 ZINC000362015442 458005932 /nfs/dbraw/zinc/00/59/32/458005932.db2.gz OBQIVSOVMJJELK-CRAIPNDOSA-N 2 2 337.508 3.026 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(CC)noc2CC)[C@H](C)C1 ZINC000362015442 458005937 /nfs/dbraw/zinc/00/59/37/458005937.db2.gz OBQIVSOVMJJELK-CRAIPNDOSA-N 2 2 337.508 3.026 20 0 EGADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427842682 458042379 /nfs/dbraw/zinc/04/23/79/458042379.db2.gz KYTQRBSEGMSUQF-DOMZBBRYSA-N 2 2 337.345 3.374 20 0 EGADLP COC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427855446 458043882 /nfs/dbraw/zinc/04/38/82/458043882.db2.gz COVZWEVADRGVET-GJZGRUSLSA-N 2 2 339.361 3.194 20 0 EGADLP Cn1cc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)cn1 ZINC000371808306 458082162 /nfs/dbraw/zinc/08/21/62/458082162.db2.gz HNSWKEWUEPDZFO-OAQYLSRUSA-N 2 2 347.466 3.163 20 0 EGADLP Fc1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000428284262 458113303 /nfs/dbraw/zinc/11/33/03/458113303.db2.gz XNVIUGOTOUWPTD-HNNXBMFYSA-N 2 2 340.870 3.066 20 0 EGADLP Fc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000428284262 458113309 /nfs/dbraw/zinc/11/33/09/458113309.db2.gz XNVIUGOTOUWPTD-HNNXBMFYSA-N 2 2 340.870 3.066 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000435368742 458120856 /nfs/dbraw/zinc/12/08/56/458120856.db2.gz BXCPQWTYSZGORD-UHFFFAOYSA-N 2 2 340.515 3.413 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435381952 458130402 /nfs/dbraw/zinc/13/04/02/458130402.db2.gz WVCJHWQMKULSLU-IBGZPJMESA-N 2 2 325.456 3.201 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])cc(C)c1OCc1ccccn1 ZINC000435381952 458130405 /nfs/dbraw/zinc/13/04/05/458130405.db2.gz WVCJHWQMKULSLU-IBGZPJMESA-N 2 2 325.456 3.201 20 0 EGADLP CCOc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)n1 ZINC000435394886 458135495 /nfs/dbraw/zinc/13/54/95/458135495.db2.gz PPXPGBBXMJZEKF-IBGZPJMESA-N 2 2 340.471 3.020 20 0 EGADLP CCOc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)n1 ZINC000435394886 458135500 /nfs/dbraw/zinc/13/55/00/458135500.db2.gz PPXPGBBXMJZEKF-IBGZPJMESA-N 2 2 340.471 3.020 20 0 EGADLP Cc1ncc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435432972 458145688 /nfs/dbraw/zinc/14/56/88/458145688.db2.gz PLGHVDUGWLSUBG-AWEZNQCLSA-N 2 2 334.514 3.052 20 0 EGADLP Cc1ncc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435432972 458145693 /nfs/dbraw/zinc/14/56/93/458145693.db2.gz PLGHVDUGWLSUBG-AWEZNQCLSA-N 2 2 334.514 3.052 20 0 EGADLP Cc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000435439059 458148683 /nfs/dbraw/zinc/14/86/83/458148683.db2.gz QXENYIRSTIMCCH-SFHVURJKSA-N 2 2 342.462 3.012 20 0 EGADLP Cc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1F ZINC000435439059 458148689 /nfs/dbraw/zinc/14/86/89/458148689.db2.gz QXENYIRSTIMCCH-SFHVURJKSA-N 2 2 342.462 3.012 20 0 EGADLP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435617812 458175238 /nfs/dbraw/zinc/17/52/38/458175238.db2.gz WUJQUFCIKRQYBH-ZDUSSCGKSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435617812 458175243 /nfs/dbraw/zinc/17/52/43/458175243.db2.gz WUJQUFCIKRQYBH-ZDUSSCGKSA-N 2 2 344.286 3.396 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000435873867 458216424 /nfs/dbraw/zinc/21/64/24/458216424.db2.gz GLNXTMCKOXWIBW-AWEZNQCLSA-N 2 2 327.266 3.204 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000435873867 458216429 /nfs/dbraw/zinc/21/64/29/458216429.db2.gz GLNXTMCKOXWIBW-AWEZNQCLSA-N 2 2 327.266 3.204 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000372168882 458216700 /nfs/dbraw/zinc/21/67/00/458216700.db2.gz BRRGAGXBBNWKNF-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000372168882 458216708 /nfs/dbraw/zinc/21/67/08/458216708.db2.gz BRRGAGXBBNWKNF-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372168882 458216718 /nfs/dbraw/zinc/21/67/18/458216718.db2.gz BRRGAGXBBNWKNF-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000372168882 458216725 /nfs/dbraw/zinc/21/67/25/458216725.db2.gz BRRGAGXBBNWKNF-OXJNMPFZSA-N 2 2 328.504 3.447 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)C1 ZINC000376175428 458222959 /nfs/dbraw/zinc/22/29/59/458222959.db2.gz TYQXAOBIGHGNEV-HNNXBMFYSA-N 2 2 344.890 3.104 20 0 EGADLP C[N@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)C1 ZINC000376175428 458222968 /nfs/dbraw/zinc/22/29/68/458222968.db2.gz TYQXAOBIGHGNEV-HNNXBMFYSA-N 2 2 344.890 3.104 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000372274691 458258700 /nfs/dbraw/zinc/25/87/00/458258700.db2.gz RTXAXTZSGQTJEL-FXAWDEMLSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000372274691 458258705 /nfs/dbraw/zinc/25/87/05/458258705.db2.gz RTXAXTZSGQTJEL-FXAWDEMLSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000372274691 458258709 /nfs/dbraw/zinc/25/87/09/458258709.db2.gz RTXAXTZSGQTJEL-FXAWDEMLSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000372274691 458258716 /nfs/dbraw/zinc/25/87/16/458258716.db2.gz RTXAXTZSGQTJEL-FXAWDEMLSA-N 2 2 337.467 3.283 20 0 EGADLP Cc1ccccc1C[NH+](C)CC(O)C[N@@H+](C)Cc1ccccc1C ZINC000447119571 458266873 /nfs/dbraw/zinc/26/68/73/458266873.db2.gz KIQVOJQPOQRWPZ-UHFFFAOYSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1ccccc1C[NH+](C)CC(O)C[N@H+](C)Cc1ccccc1C ZINC000447119571 458266879 /nfs/dbraw/zinc/26/68/79/458266879.db2.gz KIQVOJQPOQRWPZ-UHFFFAOYSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C[NH+](C)CC(O)C[N@@H+](C)Cc2cccc(C)c2)c1 ZINC000447162892 458269755 /nfs/dbraw/zinc/26/97/55/458269755.db2.gz MTEYGTQWTDOFFR-UHFFFAOYSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C[NH+](C)CC(O)C[N@H+](C)Cc2cccc(C)c2)c1 ZINC000447162892 458269761 /nfs/dbraw/zinc/26/97/61/458269761.db2.gz MTEYGTQWTDOFFR-UHFFFAOYSA-N 2 2 326.484 3.228 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000447302992 458283014 /nfs/dbraw/zinc/28/30/14/458283014.db2.gz RBBPQQZPCZKMHB-UHFFFAOYSA-N 2 2 325.243 3.049 20 0 EGADLP CC1CCC(O)(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000376595133 458347859 /nfs/dbraw/zinc/34/78/59/458347859.db2.gz KUHUCBTTZYUKPS-GNZRSQJKSA-N 2 2 331.504 3.340 20 0 EGADLP CC1CCC(O)(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000376595133 458347865 /nfs/dbraw/zinc/34/78/65/458347865.db2.gz KUHUCBTTZYUKPS-GNZRSQJKSA-N 2 2 331.504 3.340 20 0 EGADLP C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459377085 458349214 /nfs/dbraw/zinc/34/92/14/458349214.db2.gz SZXXGKXSQGQIME-GFCCVEGCSA-N 2 2 334.261 3.344 20 0 EGADLP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459377085 458349220 /nfs/dbraw/zinc/34/92/20/458349220.db2.gz SZXXGKXSQGQIME-GFCCVEGCSA-N 2 2 334.261 3.344 20 0 EGADLP CSCC[C@H](C)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687691 458359017 /nfs/dbraw/zinc/35/90/17/458359017.db2.gz ADBFFBQHLRERKN-PKOBYXMFSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687691 458359020 /nfs/dbraw/zinc/35/90/20/458359020.db2.gz ADBFFBQHLRERKN-PKOBYXMFSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@H](C)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429687691 458359023 /nfs/dbraw/zinc/35/90/23/458359023.db2.gz ADBFFBQHLRERKN-PKOBYXMFSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@H](C)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429687691 458359024 /nfs/dbraw/zinc/35/90/24/458359024.db2.gz ADBFFBQHLRERKN-PKOBYXMFSA-N 2 2 336.545 3.351 20 0 EGADLP CC1(C)C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702057 458360433 /nfs/dbraw/zinc/36/04/33/458360433.db2.gz XVTBHWYYWVFLHK-GOSISDBHSA-N 2 2 334.529 3.105 20 0 EGADLP CC1(C)C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702057 458360434 /nfs/dbraw/zinc/36/04/34/458360434.db2.gz XVTBHWYYWVFLHK-GOSISDBHSA-N 2 2 334.529 3.105 20 0 EGADLP CC1(C)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702057 458360439 /nfs/dbraw/zinc/36/04/39/458360439.db2.gz XVTBHWYYWVFLHK-GOSISDBHSA-N 2 2 334.529 3.105 20 0 EGADLP CC1(C)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702057 458360443 /nfs/dbraw/zinc/36/04/43/458360443.db2.gz XVTBHWYYWVFLHK-GOSISDBHSA-N 2 2 334.529 3.105 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000448031223 458381801 /nfs/dbraw/zinc/38/18/01/458381801.db2.gz UKISHHMMIGJKNP-UHFFFAOYSA-N 2 2 332.419 3.286 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)sc1Br ZINC000430149582 458412302 /nfs/dbraw/zinc/41/23/02/458412302.db2.gz NJBROWCGWRZFIE-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)sc1Br ZINC000430149582 458412305 /nfs/dbraw/zinc/41/23/05/458412305.db2.gz NJBROWCGWRZFIE-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)sc1Br ZINC000430149582 458412307 /nfs/dbraw/zinc/41/23/07/458412307.db2.gz NJBROWCGWRZFIE-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)sc1Br ZINC000430149582 458412310 /nfs/dbraw/zinc/41/23/10/458412310.db2.gz NJBROWCGWRZFIE-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430154678 458412773 /nfs/dbraw/zinc/41/27/73/458412773.db2.gz XVVWKJQCXDVDBG-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430154678 458412781 /nfs/dbraw/zinc/41/27/81/458412781.db2.gz XVVWKJQCXDVDBG-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430154678 458412787 /nfs/dbraw/zinc/41/27/87/458412787.db2.gz XVVWKJQCXDVDBG-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430154678 458412793 /nfs/dbraw/zinc/41/27/93/458412793.db2.gz XVVWKJQCXDVDBG-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373227884 458437146 /nfs/dbraw/zinc/43/71/46/458437146.db2.gz KVXLAGZVDYAAOI-MRXNPFEDSA-N 2 2 329.492 3.368 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373227884 458437151 /nfs/dbraw/zinc/43/71/51/458437151.db2.gz KVXLAGZVDYAAOI-MRXNPFEDSA-N 2 2 329.492 3.368 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423472448 458437394 /nfs/dbraw/zinc/43/73/94/458437394.db2.gz FVIKHOQWGLVECL-BBRMVZONSA-N 2 2 333.476 3.108 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000423519065 458449620 /nfs/dbraw/zinc/44/96/20/458449620.db2.gz ZUCCVQMKTBWHCK-KDOFPFPSSA-N 2 2 326.440 3.371 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)CCC3)cc1 ZINC000423520958 458449634 /nfs/dbraw/zinc/44/96/34/458449634.db2.gz KUAKIPWPRRDPDR-HZPDHXFCSA-N 2 2 343.496 3.074 20 0 EGADLP CC[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000423526164 458450890 /nfs/dbraw/zinc/45/08/90/458450890.db2.gz LCKPINYAJCWILS-FQEVSTJZSA-N 3 2 338.499 3.116 20 0 EGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423527754 458452506 /nfs/dbraw/zinc/45/25/06/458452506.db2.gz VXMPADCDAAGJEL-SJORKVTESA-N 2 2 343.437 3.286 20 0 EGADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@H]3C[NH2+]CCO3)cc2)c1 ZINC000423530867 458453063 /nfs/dbraw/zinc/45/30/63/458453063.db2.gz XMDOGRRBEGGQQT-DYESRHJHSA-N 2 2 340.467 3.213 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000430490016 458453924 /nfs/dbraw/zinc/45/39/24/458453924.db2.gz AKQAEPGMRWUNNF-IBGZPJMESA-N 2 2 348.535 3.195 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)CC(C)(C)C[NH3+] ZINC000430553610 458460003 /nfs/dbraw/zinc/46/00/03/458460003.db2.gz DLMNAIPIWRAKGP-LJQANCHMSA-N 2 2 349.494 3.090 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)CC(C)(C)C[NH3+] ZINC000430553610 458460004 /nfs/dbraw/zinc/46/00/04/458460004.db2.gz DLMNAIPIWRAKGP-LJQANCHMSA-N 2 2 349.494 3.090 20 0 EGADLP CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c1cccc2ccccc21 ZINC000430555582 458460482 /nfs/dbraw/zinc/46/04/82/458460482.db2.gz SLKGCQOIDDLFTO-HXUWFJFHSA-N 2 2 327.472 3.156 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)c1OC ZINC000430559919 458461347 /nfs/dbraw/zinc/46/13/47/458461347.db2.gz UPCSPGNJBOCYKJ-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)c1OC ZINC000430559919 458461351 /nfs/dbraw/zinc/46/13/51/458461351.db2.gz UPCSPGNJBOCYKJ-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H]1C[NH3+] ZINC000430565101 458462258 /nfs/dbraw/zinc/46/22/58/458462258.db2.gz DTLPWRUKOXPRLI-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H]1C[NH3+] ZINC000430565101 458462261 /nfs/dbraw/zinc/46/22/61/458462261.db2.gz DTLPWRUKOXPRLI-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP CCN(C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000430575348 458464082 /nfs/dbraw/zinc/46/40/82/458464082.db2.gz QOKDODWNUOPSHD-YJBOKZPZSA-N 2 2 337.483 3.040 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000430575348 458464084 /nfs/dbraw/zinc/46/40/84/458464084.db2.gz QOKDODWNUOPSHD-YJBOKZPZSA-N 2 2 337.483 3.040 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])n2)cc1F ZINC000430574658 458464092 /nfs/dbraw/zinc/46/40/92/458464092.db2.gz JCJFNOBLGCVIOI-WMLDXEAASA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])n2)cc1F ZINC000430574658 458464093 /nfs/dbraw/zinc/46/40/93/458464093.db2.gz JCJFNOBLGCVIOI-WMLDXEAASA-N 2 2 346.450 3.176 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)C[NH3+] ZINC000430576584 458465457 /nfs/dbraw/zinc/46/54/57/458465457.db2.gz SEKLJELQNVDLAC-UHFFFAOYSA-N 2 2 341.455 3.334 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(C)C[NH3+] ZINC000430576584 458465463 /nfs/dbraw/zinc/46/54/63/458465463.db2.gz SEKLJELQNVDLAC-UHFFFAOYSA-N 2 2 341.455 3.334 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430591418 458467960 /nfs/dbraw/zinc/46/79/60/458467960.db2.gz FKFSXIAHKWODFV-KGLIPLIRSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430591418 458467963 /nfs/dbraw/zinc/46/79/63/458467963.db2.gz FKFSXIAHKWODFV-KGLIPLIRSA-N 2 2 331.485 3.378 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607194 458470826 /nfs/dbraw/zinc/47/08/26/458470826.db2.gz XQMRBXXUEMEFES-IRXDYDNUSA-N 2 2 331.504 3.377 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607194 458470832 /nfs/dbraw/zinc/47/08/32/458470832.db2.gz XQMRBXXUEMEFES-IRXDYDNUSA-N 2 2 331.504 3.377 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000423769270 458481285 /nfs/dbraw/zinc/48/12/85/458481285.db2.gz GCVLOKXLGZNLGH-DZGCQCFKSA-N 2 2 326.444 3.349 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[nH+]1 ZINC000423773423 458481521 /nfs/dbraw/zinc/48/15/21/458481521.db2.gz MODLOEYDRRFKTQ-FLOBVVSRSA-N 2 2 338.455 3.477 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430918652 458504672 /nfs/dbraw/zinc/50/46/72/458504672.db2.gz NQGKEFRUTYWRDS-UHFFFAOYSA-N 2 2 345.231 3.303 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430920213 458505236 /nfs/dbraw/zinc/50/52/36/458505236.db2.gz UOAIZJMYXLUULP-DYVFJYSZSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430920213 458505241 /nfs/dbraw/zinc/50/52/41/458505241.db2.gz UOAIZJMYXLUULP-DYVFJYSZSA-N 2 2 331.485 3.378 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000377826318 458543040 /nfs/dbraw/zinc/54/30/40/458543040.db2.gz LGSZQJHFMXVDSE-LBPRGKRZSA-N 2 2 343.381 3.078 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000377826318 458543043 /nfs/dbraw/zinc/54/30/43/458543043.db2.gz LGSZQJHFMXVDSE-LBPRGKRZSA-N 2 2 343.381 3.078 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCCNc1[nH+]c2ccc(F)cc2n1C ZINC000431404422 458567662 /nfs/dbraw/zinc/56/76/62/458567662.db2.gz GWNSGVWCEALAHO-UHFFFAOYSA-N 2 2 337.402 3.066 20 0 EGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000424262718 458597066 /nfs/dbraw/zinc/59/70/66/458597066.db2.gz GKSVJXCCXQPIEJ-FGYAAKKASA-N 2 2 325.456 3.225 20 0 EGADLP CCCCc1nc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cs1 ZINC000424290412 458605817 /nfs/dbraw/zinc/60/58/17/458605817.db2.gz MNCQPBVNSFHCDG-UHFFFAOYSA-N 2 2 345.516 3.123 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000502289943 458643934 /nfs/dbraw/zinc/64/39/34/458643934.db2.gz YBMSQXDJXFUUBE-XYJFISCASA-N 2 2 334.504 3.262 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000502289943 458643942 /nfs/dbraw/zinc/64/39/42/458643942.db2.gz YBMSQXDJXFUUBE-XYJFISCASA-N 2 2 334.504 3.262 20 0 EGADLP C[C@@H]([C@H]1CCC[NH2+]1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530212192 458718429 /nfs/dbraw/zinc/71/84/29/458718429.db2.gz PROVNOFYQQRIBZ-WMLDXEAASA-N 2 2 332.492 3.122 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000530232418 458725116 /nfs/dbraw/zinc/72/51/16/458725116.db2.gz OWTPFCKJSQBCCL-OMMGITJUSA-N 2 2 328.500 3.290 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000530232418 458725121 /nfs/dbraw/zinc/72/51/21/458725121.db2.gz OWTPFCKJSQBCCL-OMMGITJUSA-N 2 2 328.500 3.290 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000471834598 458739900 /nfs/dbraw/zinc/73/99/00/458739900.db2.gz SOSHVEJUBDAANK-ROUUACIJSA-N 2 2 340.471 3.119 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000471834598 458739907 /nfs/dbraw/zinc/73/99/07/458739907.db2.gz SOSHVEJUBDAANK-ROUUACIJSA-N 2 2 340.471 3.119 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000471846644 458742279 /nfs/dbraw/zinc/74/22/79/458742279.db2.gz PWFHDQMJZJWQFI-DLBZAZTESA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000471846644 458742287 /nfs/dbraw/zinc/74/22/87/458742287.db2.gz PWFHDQMJZJWQFI-DLBZAZTESA-N 2 2 348.441 3.450 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483096 458798391 /nfs/dbraw/zinc/79/83/91/458798391.db2.gz DMRNXHPPSQNHES-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483096 458798395 /nfs/dbraw/zinc/79/83/95/458798395.db2.gz DMRNXHPPSQNHES-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483096 458798399 /nfs/dbraw/zinc/79/83/99/458798399.db2.gz DMRNXHPPSQNHES-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483096 458798401 /nfs/dbraw/zinc/79/84/01/458798401.db2.gz DMRNXHPPSQNHES-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483095 458798955 /nfs/dbraw/zinc/79/89/55/458798955.db2.gz DMRNXHPPSQNHES-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483095 458798956 /nfs/dbraw/zinc/79/89/56/458798956.db2.gz DMRNXHPPSQNHES-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483095 458798961 /nfs/dbraw/zinc/79/89/61/458798961.db2.gz DMRNXHPPSQNHES-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483095 458798964 /nfs/dbraw/zinc/79/89/64/458798964.db2.gz DMRNXHPPSQNHES-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCCc3ccccc3C)CC2)c1 ZINC000440314148 458802927 /nfs/dbraw/zinc/80/29/27/458802927.db2.gz KGYSSEYWYQCEPD-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472777671 458809148 /nfs/dbraw/zinc/80/91/48/458809148.db2.gz ZYVQVQYMKCQOCU-LRQRDZAKSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472777671 458809153 /nfs/dbraw/zinc/80/91/53/458809153.db2.gz ZYVQVQYMKCQOCU-LRQRDZAKSA-N 2 2 342.458 3.359 20 0 EGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000474384258 458881904 /nfs/dbraw/zinc/88/19/04/458881904.db2.gz JKPGCVIZZJDLEU-XLIONFOSSA-N 2 2 331.504 3.364 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441321717 458919430 /nfs/dbraw/zinc/91/94/30/458919430.db2.gz DLFQNTBGUWFKRQ-OTWHNJEPSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441321717 458919435 /nfs/dbraw/zinc/91/94/35/458919435.db2.gz DLFQNTBGUWFKRQ-OTWHNJEPSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441321717 458919437 /nfs/dbraw/zinc/91/94/37/458919437.db2.gz DLFQNTBGUWFKRQ-OTWHNJEPSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441321717 458919441 /nfs/dbraw/zinc/91/94/41/458919441.db2.gz DLFQNTBGUWFKRQ-OTWHNJEPSA-N 2 2 345.531 3.367 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441349760 458924352 /nfs/dbraw/zinc/92/43/52/458924352.db2.gz TWPMIAZVMFZFEJ-PKOBYXMFSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441349760 458924355 /nfs/dbraw/zinc/92/43/55/458924355.db2.gz TWPMIAZVMFZFEJ-PKOBYXMFSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441349760 458924359 /nfs/dbraw/zinc/92/43/59/458924359.db2.gz TWPMIAZVMFZFEJ-PKOBYXMFSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441349760 458924363 /nfs/dbraw/zinc/92/43/63/458924363.db2.gz TWPMIAZVMFZFEJ-PKOBYXMFSA-N 2 2 343.515 3.161 20 0 EGADLP CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000495706023 458924710 /nfs/dbraw/zinc/92/47/10/458924710.db2.gz KDHLIWJQNRRINU-MRXNPFEDSA-N 2 2 336.480 3.043 20 0 EGADLP CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000495706023 458924714 /nfs/dbraw/zinc/92/47/14/458924714.db2.gz KDHLIWJQNRRINU-MRXNPFEDSA-N 2 2 336.480 3.043 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441473806 458951686 /nfs/dbraw/zinc/95/16/86/458951686.db2.gz PBDARSIMKCVZGN-IBGZPJMESA-N 2 2 337.552 3.223 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441473806 458951689 /nfs/dbraw/zinc/95/16/89/458951689.db2.gz PBDARSIMKCVZGN-IBGZPJMESA-N 2 2 337.552 3.223 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)o1 ZINC000531677727 458958795 /nfs/dbraw/zinc/95/87/95/458958795.db2.gz STMGDXBWGVJDSF-HZPDHXFCSA-N 2 2 333.501 3.289 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804378 458960542 /nfs/dbraw/zinc/96/05/42/458960542.db2.gz OLXANJFTSPEJGP-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804378 458960548 /nfs/dbraw/zinc/96/05/48/458960548.db2.gz OLXANJFTSPEJGP-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000519646940 458981743 /nfs/dbraw/zinc/98/17/43/458981743.db2.gz JBLSEXXKQWPWJE-OAHLLOKOSA-N 2 2 337.533 3.127 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495864706 458984432 /nfs/dbraw/zinc/98/44/32/458984432.db2.gz IUQIHWLFPKXCFI-CKEIUWERSA-N 2 2 348.491 3.035 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495864706 458984437 /nfs/dbraw/zinc/98/44/37/458984437.db2.gz IUQIHWLFPKXCFI-CKEIUWERSA-N 2 2 348.491 3.035 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC(C)(C)C2CCCCC2)CC1 ZINC000476221844 458986411 /nfs/dbraw/zinc/98/64/11/458986411.db2.gz IAZGOKLWYKFZRC-UHFFFAOYSA-N 2 2 337.552 3.125 20 0 EGADLP Cc1cccn2c(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)c[nH+]c12 ZINC000567004892 459032840 /nfs/dbraw/zinc/03/28/40/459032840.db2.gz HHQWOBLSXCZWDB-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1cccn2c(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)c[nH+]c12 ZINC000567004892 459032845 /nfs/dbraw/zinc/03/28/45/459032845.db2.gz HHQWOBLSXCZWDB-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000442803674 459039117 /nfs/dbraw/zinc/03/91/17/459039117.db2.gz UYNVVFRXPBORCP-FQEVSTJZSA-N 2 2 349.478 3.178 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000442803674 459039121 /nfs/dbraw/zinc/03/91/21/459039121.db2.gz UYNVVFRXPBORCP-FQEVSTJZSA-N 2 2 349.478 3.178 20 0 EGADLP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000532204131 459045711 /nfs/dbraw/zinc/04/57/11/459045711.db2.gz GDXKAYOWYIAHRQ-QUCCMNQESA-N 2 2 332.488 3.066 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527022 459046752 /nfs/dbraw/zinc/04/67/52/459046752.db2.gz OJGWQVYLKFFVLK-GXSJLCMTSA-N 2 2 349.219 3.362 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527022 459046755 /nfs/dbraw/zinc/04/67/55/459046755.db2.gz OJGWQVYLKFFVLK-GXSJLCMTSA-N 2 2 349.219 3.362 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527024 459047175 /nfs/dbraw/zinc/04/71/75/459047175.db2.gz OJGWQVYLKFFVLK-MWLCHTKSSA-N 2 2 349.219 3.362 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527024 459047179 /nfs/dbraw/zinc/04/71/79/459047179.db2.gz OJGWQVYLKFFVLK-MWLCHTKSSA-N 2 2 349.219 3.362 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000594522584 459079727 /nfs/dbraw/zinc/07/97/27/459079727.db2.gz ZYXLOWRZOSMREY-CADBVGFASA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000594522584 459079733 /nfs/dbraw/zinc/07/97/33/459079733.db2.gz ZYXLOWRZOSMREY-CADBVGFASA-N 2 2 336.520 3.495 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)n1C ZINC000567368182 459093942 /nfs/dbraw/zinc/09/39/42/459093942.db2.gz OBOMEZJHDFGXRZ-GOSISDBHSA-N 2 2 332.879 3.309 20 0 EGADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](C3CCC3)CC1)O[C@H](C)C2 ZINC000520904042 459103190 /nfs/dbraw/zinc/10/31/90/459103190.db2.gz VDNZYNQQVHSKKI-CQSZACIVSA-N 2 2 330.472 3.125 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532531129 459105616 /nfs/dbraw/zinc/10/56/16/459105616.db2.gz OWVGAARDZMDSMC-JKSUJKDBSA-N 2 2 332.492 3.209 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532531129 459105622 /nfs/dbraw/zinc/10/56/22/459105622.db2.gz OWVGAARDZMDSMC-JKSUJKDBSA-N 2 2 332.492 3.209 20 0 EGADLP COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000577862159 459110774 /nfs/dbraw/zinc/11/07/74/459110774.db2.gz YRBDIWKSDPDKPE-UHFFFAOYSA-N 2 2 329.444 3.035 20 0 EGADLP COc1ccc2c(c1)OC(C)(C)C[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000577862159 459110779 /nfs/dbraw/zinc/11/07/79/459110779.db2.gz YRBDIWKSDPDKPE-UHFFFAOYSA-N 2 2 329.444 3.035 20 0 EGADLP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000558103298 459131268 /nfs/dbraw/zinc/13/12/68/459131268.db2.gz KNEVJKLQQBFNTD-SFHVURJKSA-N 2 2 345.874 3.215 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCC[C@H](C)C3)c2cc1C ZINC000578033705 459137367 /nfs/dbraw/zinc/13/73/67/459137367.db2.gz NTGLNYRBCXWRKR-JCGIZDLHSA-N 2 2 329.488 3.430 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000594745148 459149769 /nfs/dbraw/zinc/14/97/69/459149769.db2.gz KWBHHZDEZAXROH-KRWDZBQOSA-N 2 2 328.460 3.132 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000594745148 459149772 /nfs/dbraw/zinc/14/97/72/459149772.db2.gz KWBHHZDEZAXROH-KRWDZBQOSA-N 2 2 328.460 3.132 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849198 459170540 /nfs/dbraw/zinc/17/05/40/459170540.db2.gz HRVJLMRXLGDZHG-KZNAEPCWSA-N 2 2 335.561 3.451 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849198 459170546 /nfs/dbraw/zinc/17/05/46/459170546.db2.gz HRVJLMRXLGDZHG-KZNAEPCWSA-N 2 2 335.561 3.451 20 0 EGADLP CC(C)C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)CC(=O)OC(C)(C)C ZINC000595000390 459210439 /nfs/dbraw/zinc/21/04/39/459210439.db2.gz KGMKXMMKHUBIDG-HNNXBMFYSA-N 2 2 335.492 3.313 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000533527160 459247864 /nfs/dbraw/zinc/24/78/64/459247864.db2.gz MBXLIKMAGSOELD-GOSISDBHSA-N 2 2 342.418 3.357 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568251647 459258477 /nfs/dbraw/zinc/25/84/77/459258477.db2.gz XLUSSUVFBHMXDQ-DOTOQJQBSA-N 2 2 342.487 3.124 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568251647 459258480 /nfs/dbraw/zinc/25/84/80/459258480.db2.gz XLUSSUVFBHMXDQ-DOTOQJQBSA-N 2 2 342.487 3.124 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1Oc1ccccc1)C1CC1 ZINC000568255006 459259015 /nfs/dbraw/zinc/25/90/15/459259015.db2.gz YMUDZYALWYXVLA-GOSISDBHSA-N 2 2 326.440 3.024 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1Oc1ccccc1)C1CC1 ZINC000568255006 459259018 /nfs/dbraw/zinc/25/90/18/459259018.db2.gz YMUDZYALWYXVLA-GOSISDBHSA-N 2 2 326.440 3.024 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865794 459274757 /nfs/dbraw/zinc/27/47/57/459274757.db2.gz AZRQEOBNONMLDK-DOTOQJQBSA-N 2 2 348.450 3.390 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865794 459274759 /nfs/dbraw/zinc/27/47/59/459274759.db2.gz AZRQEOBNONMLDK-DOTOQJQBSA-N 2 2 348.450 3.390 20 0 EGADLP C[C@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000496679379 459283877 /nfs/dbraw/zinc/28/38/77/459283877.db2.gz RYBDPCFHGCNVBY-HOTGVXAUSA-N 2 2 336.480 3.023 20 0 EGADLP C[C@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000496679379 459283880 /nfs/dbraw/zinc/28/38/80/459283880.db2.gz RYBDPCFHGCNVBY-HOTGVXAUSA-N 2 2 336.480 3.023 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](Cc4ccsc4)CC3)n2c1 ZINC000534332808 459315941 /nfs/dbraw/zinc/31/59/41/459315941.db2.gz OOVNOCWMIDBGFN-UHFFFAOYSA-N 2 2 326.469 3.022 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1)O[C@@H](C)C2 ZINC000534333756 459317455 /nfs/dbraw/zinc/31/74/55/459317455.db2.gz RZHWRPXFSFMKSZ-HNNXBMFYSA-N 2 2 332.488 3.323 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1)O[C@@H](C)C2 ZINC000534333756 459317463 /nfs/dbraw/zinc/31/74/63/459317463.db2.gz RZHWRPXFSFMKSZ-HNNXBMFYSA-N 2 2 332.488 3.323 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c(C(C)C)nc2s1 ZINC000534344935 459318953 /nfs/dbraw/zinc/31/89/53/459318953.db2.gz NSBHBNUBKSNTED-CYBMUJFWSA-N 2 2 344.488 3.325 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c(C(C)C)nc2s1 ZINC000534344935 459318958 /nfs/dbraw/zinc/31/89/58/459318958.db2.gz NSBHBNUBKSNTED-CYBMUJFWSA-N 2 2 344.488 3.325 20 0 EGADLP CCCCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534473055 459328435 /nfs/dbraw/zinc/32/84/35/459328435.db2.gz AMNVMVOTHQHMJB-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CCCCCNC(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534473055 459328439 /nfs/dbraw/zinc/32/84/39/459328439.db2.gz AMNVMVOTHQHMJB-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000482882977 459329268 /nfs/dbraw/zinc/32/92/68/459329268.db2.gz HZLXRJUDNMJHBO-MOPGFXCFSA-N 2 2 343.540 3.176 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000482882977 459329275 /nfs/dbraw/zinc/32/92/75/459329275.db2.gz HZLXRJUDNMJHBO-MOPGFXCFSA-N 2 2 343.540 3.176 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCc4ccccc4CC3)c2cc1C ZINC000523860348 459335566 /nfs/dbraw/zinc/33/55/66/459335566.db2.gz KABIYCGISTXLIE-FQEVSTJZSA-N 2 2 349.478 3.115 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764281 459341843 /nfs/dbraw/zinc/34/18/43/459341843.db2.gz OVNSJAITEZZOQL-VQIMIIECSA-N 2 2 342.483 3.325 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764281 459341848 /nfs/dbraw/zinc/34/18/48/459341848.db2.gz OVNSJAITEZZOQL-VQIMIIECSA-N 2 2 342.483 3.325 20 0 EGADLP COc1cccc2c1CC[C@H](Nc1ccc(Cn3cc[nH+]c3)c[nH+]1)C2 ZINC000568800232 459346451 /nfs/dbraw/zinc/34/64/51/459346451.db2.gz LXMMZZJIBGZQCC-KRWDZBQOSA-N 2 2 334.423 3.304 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000582414362 459360598 /nfs/dbraw/zinc/36/05/98/459360598.db2.gz BXXIYXNQUBYUDT-GUDVDZBRSA-N 2 2 336.414 3.383 20 0 EGADLP Cc1[nH]c(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[nH+]c1C ZINC000582616724 459397047 /nfs/dbraw/zinc/39/70/47/459397047.db2.gz JOJNCOKFYPQEDI-UHFFFAOYSA-N 2 2 339.487 3.171 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]c1C ZINC000569141359 459404161 /nfs/dbraw/zinc/40/41/61/459404161.db2.gz XWZADRYPCDULBZ-GOSISDBHSA-N 2 2 326.488 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]c1C ZINC000569141359 459404167 /nfs/dbraw/zinc/40/41/67/459404167.db2.gz XWZADRYPCDULBZ-GOSISDBHSA-N 2 2 326.488 3.417 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867303 459457265 /nfs/dbraw/zinc/45/72/65/459457265.db2.gz OGELTGBXWLPCMY-RCCFBDPRSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867303 459457267 /nfs/dbraw/zinc/45/72/67/459457267.db2.gz OGELTGBXWLPCMY-RCCFBDPRSA-N 2 2 340.471 3.094 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000561525944 459461520 /nfs/dbraw/zinc/46/15/20/459461520.db2.gz JPHJQDMVTCOADB-UHFFFAOYSA-N 2 2 329.350 3.449 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c[nH+]1 ZINC000525991735 459526478 /nfs/dbraw/zinc/52/64/78/459526478.db2.gz LGNDQRQQPMOJCO-MRXNPFEDSA-N 2 2 330.394 3.348 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)C2 ZINC000526003869 459530572 /nfs/dbraw/zinc/53/05/72/459530572.db2.gz BLHYKWSXQYLNCO-BZUAXINKSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)CC2 ZINC000526003869 459530576 /nfs/dbraw/zinc/53/05/76/459530576.db2.gz BLHYKWSXQYLNCO-BZUAXINKSA-N 2 2 346.519 3.017 20 0 EGADLP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569926872 459533869 /nfs/dbraw/zinc/53/38/69/459533869.db2.gz GVRFCZYGAGZTIS-UONOGXRCSA-N 2 2 341.459 3.134 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000573488600 459684863 /nfs/dbraw/zinc/68/48/63/459684863.db2.gz NUBLREGOYDLNGG-IBGZPJMESA-N 2 2 325.456 3.071 20 0 EGADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000573488600 459684868 /nfs/dbraw/zinc/68/48/68/459684868.db2.gz NUBLREGOYDLNGG-IBGZPJMESA-N 2 2 325.456 3.071 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000592806878 459695121 /nfs/dbraw/zinc/69/51/21/459695121.db2.gz OLEOCZWOAIYDOQ-UHFFFAOYSA-N 2 2 325.456 3.107 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000592806878 459695127 /nfs/dbraw/zinc/69/51/27/459695127.db2.gz OLEOCZWOAIYDOQ-UHFFFAOYSA-N 2 2 325.456 3.107 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000563067765 459709842 /nfs/dbraw/zinc/70/98/42/459709842.db2.gz IYOORGOYZGGYPN-HXUWFJFHSA-N 2 2 340.467 3.053 20 0 EGADLP C[C@@H](C[N@H+](C)C1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501133631 459714288 /nfs/dbraw/zinc/71/42/88/459714288.db2.gz KZPTXOQGBDZZPV-AWEZNQCLSA-N 2 2 344.421 3.197 20 0 EGADLP C[C@@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501133631 459714290 /nfs/dbraw/zinc/71/42/90/459714290.db2.gz KZPTXOQGBDZZPV-AWEZNQCLSA-N 2 2 344.421 3.197 20 0 EGADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCCCC[NH2+]1 ZINC000563200892 459737717 /nfs/dbraw/zinc/73/77/17/459737717.db2.gz JZFXZZIOXVDFHY-GOSISDBHSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000584458092 459743068 /nfs/dbraw/zinc/74/30/68/459743068.db2.gz MUUHFXNWZVGUQS-DLBZAZTESA-N 2 2 330.476 3.393 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544364101 459752167 /nfs/dbraw/zinc/75/21/67/459752167.db2.gz DPAOOICRBBDSPV-YADHBBJMSA-N 2 2 338.495 3.498 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544364101 459752170 /nfs/dbraw/zinc/75/21/70/459752170.db2.gz DPAOOICRBBDSPV-YADHBBJMSA-N 2 2 338.495 3.498 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000574032641 459771028 /nfs/dbraw/zinc/77/10/28/459771028.db2.gz MUBFEEVHAYJRHP-OAQYLSRUSA-N 2 2 335.451 3.015 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000574528214 459830930 /nfs/dbraw/zinc/83/09/30/459830930.db2.gz FIWUQWWZGKUKJT-HNNXBMFYSA-N 2 2 338.492 3.103 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000574528214 459830935 /nfs/dbraw/zinc/83/09/35/459830935.db2.gz FIWUQWWZGKUKJT-HNNXBMFYSA-N 2 2 338.492 3.103 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000574637865 459846259 /nfs/dbraw/zinc/84/62/59/459846259.db2.gz ILAQQBZVCBKKDT-KRWDZBQOSA-N 2 2 349.478 3.121 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000574637865 459846263 /nfs/dbraw/zinc/84/62/63/459846263.db2.gz ILAQQBZVCBKKDT-KRWDZBQOSA-N 2 2 349.478 3.121 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cc2ccccc2s1 ZINC000588690830 459970987 /nfs/dbraw/zinc/97/09/87/459970987.db2.gz JAUHPDOBLLEORU-GOSISDBHSA-N 2 2 340.492 3.484 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cc2ccccc2s1 ZINC000588690830 459970990 /nfs/dbraw/zinc/97/09/90/459970990.db2.gz JAUHPDOBLLEORU-GOSISDBHSA-N 2 2 340.492 3.484 20 0 EGADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719533 460025116 /nfs/dbraw/zinc/02/51/16/460025116.db2.gz PSFMOLPGWMJTKA-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719533 460025123 /nfs/dbraw/zinc/02/51/23/460025123.db2.gz PSFMOLPGWMJTKA-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000621719533 460025125 /nfs/dbraw/zinc/02/51/25/460025125.db2.gz PSFMOLPGWMJTKA-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000621719533 460025130 /nfs/dbraw/zinc/02/51/30/460025130.db2.gz PSFMOLPGWMJTKA-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP C[C@H]([N@H+](C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)(C)C ZINC000575973142 460043265 /nfs/dbraw/zinc/04/32/65/460043265.db2.gz KPVRMVKZIOBHFX-ZDUSSCGKSA-N 2 2 338.521 3.044 20 0 EGADLP C[C@H]([N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)(C)C ZINC000575973142 460043270 /nfs/dbraw/zinc/04/32/70/460043270.db2.gz KPVRMVKZIOBHFX-ZDUSSCGKSA-N 2 2 338.521 3.044 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)o1 ZINC000625214343 460074408 /nfs/dbraw/zinc/07/44/08/460074408.db2.gz HONZLWQSRACDRI-OAHLLOKOSA-N 2 2 330.432 3.212 20 0 EGADLP Cc1[nH+]ccn1CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614354338 460109449 /nfs/dbraw/zinc/10/94/49/460109449.db2.gz UGNIQFILAHPSND-UHFFFAOYSA-N 2 2 335.411 3.030 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625329941 460130691 /nfs/dbraw/zinc/13/06/91/460130691.db2.gz KTHVAEUKPPWOAC-KSSFIOAISA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625329941 460130696 /nfs/dbraw/zinc/13/06/96/460130696.db2.gz KTHVAEUKPPWOAC-KSSFIOAISA-N 2 2 340.895 3.272 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)[C@@H]1CCC[NH2+]1 ZINC000576695453 460194797 /nfs/dbraw/zinc/19/47/97/460194797.db2.gz SLWGVWMHCHQUFJ-KUHUBIRLSA-N 2 2 341.430 3.308 20 0 EGADLP CC(C)(C)OC(=O)CCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000611367406 460346543 /nfs/dbraw/zinc/34/65/43/460346543.db2.gz FERNFFJYHJFQHY-UHFFFAOYSA-N 2 2 347.503 3.148 20 0 EGADLP CC[N@H+](Cc1ncnn1CC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062811 460360095 /nfs/dbraw/zinc/36/00/95/460360095.db2.gz HKZNJJFSEOZTHT-UHFFFAOYSA-N 2 2 329.492 3.018 20 0 EGADLP CC[N@@H+](Cc1ncnn1CC(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062811 460360100 /nfs/dbraw/zinc/36/01/00/460360100.db2.gz HKZNJJFSEOZTHT-UHFFFAOYSA-N 2 2 329.492 3.018 20 0 EGADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000603932791 460360747 /nfs/dbraw/zinc/36/07/47/460360747.db2.gz LXPOPOMROKPSAO-UHFFFAOYSA-N 2 2 349.494 3.027 20 0 EGADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000603932791 460360749 /nfs/dbraw/zinc/36/07/49/460360749.db2.gz LXPOPOMROKPSAO-UHFFFAOYSA-N 2 2 349.494 3.027 20 0 EGADLP OCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000626100882 460370623 /nfs/dbraw/zinc/37/06/23/460370623.db2.gz BATRDYCXOVGYDW-OAHLLOKOSA-N 2 2 328.243 3.293 20 0 EGADLP FC(F)COc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623088825 460408679 /nfs/dbraw/zinc/40/86/79/460408679.db2.gz GNVBLNGWZKQKSC-UHFFFAOYSA-N 2 2 348.384 3.397 20 0 EGADLP CCOc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1OC ZINC000623088370 460409158 /nfs/dbraw/zinc/40/91/58/460409158.db2.gz IXWQGQIAPOGRFF-UHFFFAOYSA-N 2 2 342.430 3.161 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)C2 ZINC000615872567 460414053 /nfs/dbraw/zinc/41/40/53/460414053.db2.gz FHBZGGCCFBVVCL-AUUYWEPGSA-N 2 2 338.455 3.011 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)CC2 ZINC000615872567 460414060 /nfs/dbraw/zinc/41/40/60/460414060.db2.gz FHBZGGCCFBVVCL-AUUYWEPGSA-N 2 2 338.455 3.011 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631605852 460469891 /nfs/dbraw/zinc/46/98/91/460469891.db2.gz LCEAPVYNUDGWMU-KYNGSXCRSA-N 2 2 325.456 3.146 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ncc1Br ZINC000623342377 460499474 /nfs/dbraw/zinc/49/94/74/460499474.db2.gz WKJYHZVUTQZNLJ-UHFFFAOYSA-N 2 2 326.282 3.115 20 0 EGADLP Cc1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)ncc1Br ZINC000623352524 460505461 /nfs/dbraw/zinc/50/54/61/460505461.db2.gz FAXYYJFWIHEICA-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)c21 ZINC000634807643 460531677 /nfs/dbraw/zinc/53/16/77/460531677.db2.gz VTSNFLIUDNFNMA-OAHLLOKOSA-N 2 2 339.418 3.219 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410774 460775706 /nfs/dbraw/zinc/77/57/06/460775706.db2.gz DPKSWTFNSVPZHE-LPHOPBHVSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410774 460775712 /nfs/dbraw/zinc/77/57/12/460775712.db2.gz DPKSWTFNSVPZHE-LPHOPBHVSA-N 2 2 348.450 3.208 20 0 EGADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629514866 460790236 /nfs/dbraw/zinc/79/02/36/460790236.db2.gz USJCOHWZGXDRHI-HIFRSBDPSA-N 2 2 338.377 3.022 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534498 460799261 /nfs/dbraw/zinc/79/92/61/460799261.db2.gz ADDXXMALTIWEIA-DZGCQCFKSA-N 2 2 339.886 3.174 20 0 EGADLP C[C@H]1CC[C@@H](NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534498 460799266 /nfs/dbraw/zinc/79/92/66/460799266.db2.gz ADDXXMALTIWEIA-DZGCQCFKSA-N 2 2 339.886 3.174 20 0 EGADLP OC1(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCC(c2ccccc2)CC1 ZINC000629561217 460809601 /nfs/dbraw/zinc/80/96/01/460809601.db2.gz GURITJLQKVBNMN-KBWCOIMZSA-N 2 2 328.500 3.149 20 0 EGADLP OC1(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCC(c2ccccc2)CC1 ZINC000629561217 460809608 /nfs/dbraw/zinc/80/96/08/460809608.db2.gz GURITJLQKVBNMN-KBWCOIMZSA-N 2 2 328.500 3.149 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1SC ZINC000629565397 460812227 /nfs/dbraw/zinc/81/22/27/460812227.db2.gz WSUYGOKUUWFBGS-QWHCGFSZSA-N 2 2 348.434 3.376 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1SC ZINC000629565397 460812234 /nfs/dbraw/zinc/81/22/34/460812234.db2.gz WSUYGOKUUWFBGS-QWHCGFSZSA-N 2 2 348.434 3.376 20 0 EGADLP CCOCCCNc1ccc(-c2ccc(CC[NH+](C)C)cc2)c[nH+]1 ZINC000629732373 460892856 /nfs/dbraw/zinc/89/28/56/460892856.db2.gz UKSZYVDIFWDGFG-UHFFFAOYSA-N 2 2 327.472 3.113 20 0 EGADLP C[NH+](C)Cc1cc(-c2ccc(NCC3CCOCC3)[nH+]c2)ccc1F ZINC000629738303 460897817 /nfs/dbraw/zinc/89/78/17/460897817.db2.gz LWGKXGBEJNPGHT-UHFFFAOYSA-N 2 2 343.446 3.210 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000613309107 460903473 /nfs/dbraw/zinc/90/34/73/460903473.db2.gz GVLCHHKTTBRNJT-LJQANCHMSA-N 2 2 337.467 3.454 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000613309107 460903479 /nfs/dbraw/zinc/90/34/79/460903479.db2.gz GVLCHHKTTBRNJT-LJQANCHMSA-N 2 2 337.467 3.454 20 0 EGADLP C[NH+]1CCC(N(C(=O)c2ccc3[nH+]ccn3c2)c2ccccc2)CC1 ZINC000601967842 460965020 /nfs/dbraw/zinc/96/50/20/460965020.db2.gz MFNRLYOATXDAAQ-UHFFFAOYSA-N 2 2 334.423 3.075 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2[nH+]1 ZINC000668152803 461139059 /nfs/dbraw/zinc/13/90/59/461139059.db2.gz ZOLJIGHMZOTIGV-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP Brc1scnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273502 461161030 /nfs/dbraw/zinc/16/10/30/461161030.db2.gz NTQOMKCEHZBKGR-RYUDHWBXSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1scnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273502 461161038 /nfs/dbraw/zinc/16/10/38/461161038.db2.gz NTQOMKCEHZBKGR-RYUDHWBXSA-N 2 2 344.322 3.117 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CC[NH3+] ZINC000652353431 461146417 /nfs/dbraw/zinc/14/64/17/461146417.db2.gz IXHDMOJGHYFIOI-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CC[NH3+] ZINC000652353431 461146422 /nfs/dbraw/zinc/14/64/22/461146422.db2.gz IXHDMOJGHYFIOI-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1CC[NH3+] ZINC000652356163 461149957 /nfs/dbraw/zinc/14/99/57/461149957.db2.gz UVRHEQKEQSTNPW-SUMWQHHRSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1CC[NH3+] ZINC000652356163 461149966 /nfs/dbraw/zinc/14/99/66/461149966.db2.gz UVRHEQKEQSTNPW-SUMWQHHRSA-N 2 2 334.414 3.100 20 0 EGADLP Fc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277123 461161072 /nfs/dbraw/zinc/16/10/72/461161072.db2.gz ROLFJJOYSZMYSJ-IUODEOHRSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277123 461161076 /nfs/dbraw/zinc/16/10/76/461161076.db2.gz ROLFJJOYSZMYSJ-IUODEOHRSA-N 2 2 328.378 3.391 20 0 EGADLP CC[N@@H+](Cc1snnc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545807 461164057 /nfs/dbraw/zinc/16/40/57/461164057.db2.gz UPYMMAJYAXLTQO-QGZVFWFLSA-N 2 2 330.501 3.191 20 0 EGADLP CC[N@H+](Cc1snnc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545807 461164062 /nfs/dbraw/zinc/16/40/62/461164062.db2.gz UPYMMAJYAXLTQO-QGZVFWFLSA-N 2 2 330.501 3.191 20 0 EGADLP CC[NH+](Cc1snnc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649545807 461164064 /nfs/dbraw/zinc/16/40/64/461164064.db2.gz UPYMMAJYAXLTQO-QGZVFWFLSA-N 2 2 330.501 3.191 20 0 EGADLP CC[NH+](Cc1snnc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545807 461164073 /nfs/dbraw/zinc/16/40/73/461164073.db2.gz UPYMMAJYAXLTQO-QGZVFWFLSA-N 2 2 330.501 3.191 20 0 EGADLP [NH3+]C[C@@H]1CCc2ccccc2N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000662306072 461181796 /nfs/dbraw/zinc/18/17/96/461181796.db2.gz WXEIIOGJMFQEFA-IBGZPJMESA-N 2 2 332.451 3.212 20 0 EGADLP COc1cncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000638030308 461206386 /nfs/dbraw/zinc/20/63/86/461206386.db2.gz FHRPOMCGELAMGH-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000638030308 461206389 /nfs/dbraw/zinc/20/63/89/461206389.db2.gz FHRPOMCGELAMGH-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP C[N@H+](Cc1c[nH]c2ncncc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638030234 461206857 /nfs/dbraw/zinc/20/68/57/461206857.db2.gz DKFYXUKYDZQFRB-UHFFFAOYSA-N 2 2 335.455 3.006 20 0 EGADLP C[N@@H+](Cc1c[nH]c2ncncc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638030234 461206864 /nfs/dbraw/zinc/20/68/64/461206864.db2.gz DKFYXUKYDZQFRB-UHFFFAOYSA-N 2 2 335.455 3.006 20 0 EGADLP C[N@@H+]1CC[C@@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000641469918 461259452 /nfs/dbraw/zinc/25/94/52/461259452.db2.gz UPRUHZKYWRPGTO-KBXCAEBGSA-N 2 2 349.837 3.471 20 0 EGADLP C[N@H+]1CC[C@@H](CNc2cc(CO)cc[nH+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000641469918 461259457 /nfs/dbraw/zinc/25/94/57/461259457.db2.gz UPRUHZKYWRPGTO-KBXCAEBGSA-N 2 2 349.837 3.471 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638186216 461296943 /nfs/dbraw/zinc/29/69/43/461296943.db2.gz OEGZXSLYZZDFJJ-IBGZPJMESA-N 2 2 339.487 3.044 20 0 EGADLP CC[C@H]1COC(C)(C)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717940 461300434 /nfs/dbraw/zinc/30/04/34/461300434.db2.gz POZDLTOFVPCKSO-PMACEKPBSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@H]1COC(C)(C)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717940 461300440 /nfs/dbraw/zinc/30/04/40/461300440.db2.gz POZDLTOFVPCKSO-PMACEKPBSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000649717940 461300448 /nfs/dbraw/zinc/30/04/48/461300448.db2.gz POZDLTOFVPCKSO-PMACEKPBSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000649717940 461300456 /nfs/dbraw/zinc/30/04/56/461300456.db2.gz POZDLTOFVPCKSO-PMACEKPBSA-N 2 2 346.515 3.167 20 0 EGADLP Cc1ccc(CCC[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c[nH+]1 ZINC000668512858 461309191 /nfs/dbraw/zinc/30/91/91/461309191.db2.gz QOVCAKKLUFCNEM-UHFFFAOYSA-N 3 2 338.499 3.219 20 0 EGADLP O=c1[nH]c2ccc(C[NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)cc2[nH]1 ZINC000641701956 461325874 /nfs/dbraw/zinc/32/58/74/461325874.db2.gz ZCZKZNIZKJFBGX-IBGZPJMESA-N 2 2 336.439 3.195 20 0 EGADLP CSc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000641753426 461351884 /nfs/dbraw/zinc/35/18/84/461351884.db2.gz CJPIUIGIHBNFOM-UHFFFAOYSA-N 2 2 335.473 3.017 20 0 EGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655692998 461365395 /nfs/dbraw/zinc/36/53/95/461365395.db2.gz YOHJRRVDMVJMIA-FUHWJXTLSA-N 2 2 332.488 3.378 20 0 EGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668637160 461365537 /nfs/dbraw/zinc/36/55/37/461365537.db2.gz MGAJJEOPNFSMFB-SFHVURJKSA-N 2 2 348.450 3.228 20 0 EGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000668637160 461365546 /nfs/dbraw/zinc/36/55/46/461365546.db2.gz MGAJJEOPNFSMFB-SFHVURJKSA-N 2 2 348.450 3.228 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)oc21 ZINC000655693566 461367701 /nfs/dbraw/zinc/36/77/01/461367701.db2.gz FDSFEAIBUFUELR-RHSMWYFYSA-N 2 2 344.455 3.345 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H]([NH3+])CCC(C)C)ccc2n1C1CC1 ZINC000638324283 461368823 /nfs/dbraw/zinc/36/88/23/461368823.db2.gz HGMGPMWHHGMTBP-MRXNPFEDSA-N 2 2 342.487 3.313 20 0 EGADLP c1csc(-c2nc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)co2)c1 ZINC000655699957 461372312 /nfs/dbraw/zinc/37/23/12/461372312.db2.gz IKFPUESFCCIADA-INIZCTEOSA-N 2 2 347.484 3.136 20 0 EGADLP CCOc1ccccc1[C@@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655705113 461376315 /nfs/dbraw/zinc/37/63/15/461376315.db2.gz WETLTQHWAXZVLF-IEBWSBKVSA-N 2 2 332.488 3.379 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(Cl)cc1O ZINC000638348867 461377698 /nfs/dbraw/zinc/37/76/98/461377698.db2.gz VBIXZKNIRRPYOY-UHFFFAOYSA-N 2 2 326.868 3.264 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652870719 461394352 /nfs/dbraw/zinc/39/43/52/461394352.db2.gz HRRNMFPHKDKXPE-UHFFFAOYSA-N 2 2 344.484 3.087 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](C[C@H]4CCCO4)CC3)[nH+]c2c1 ZINC000641935246 461412849 /nfs/dbraw/zinc/41/28/49/461412849.db2.gz OGFPGDLAMQEBQD-QGZVFWFLSA-N 2 2 325.456 3.153 20 0 EGADLP Fc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1-n1cc[nH+]c1 ZINC000655751038 461417064 /nfs/dbraw/zinc/41/70/64/461417064.db2.gz XOQFMPNVUGTIDK-QGZVFWFLSA-N 2 2 344.434 3.067 20 0 EGADLP Fc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(F)cc1Cl ZINC000655761579 461426305 /nfs/dbraw/zinc/42/63/05/461426305.db2.gz MGUSNRSQICMPGV-CQSZACIVSA-N 2 2 344.833 3.351 20 0 EGADLP Fc1cccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655764080 461428502 /nfs/dbraw/zinc/42/85/02/461428502.db2.gz CSGQMVXCTCLMPZ-LSTHTHJFSA-N 2 2 332.463 3.305 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)sn1 ZINC000638448037 461434136 /nfs/dbraw/zinc/43/41/36/461434136.db2.gz RAYKDTMXHCLPTH-CYBMUJFWSA-N 2 2 337.514 3.215 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)sn1 ZINC000638448037 461434147 /nfs/dbraw/zinc/43/41/47/461434147.db2.gz RAYKDTMXHCLPTH-CYBMUJFWSA-N 2 2 337.514 3.215 20 0 EGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cc(F)ccc2O1 ZINC000655792746 461452265 /nfs/dbraw/zinc/45/22/65/461452265.db2.gz OGOZFYNDKUIMDF-WMZOPIPTSA-N 2 2 348.462 3.271 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(OC)c3Cl)CC2)c1 ZINC000659880979 461479126 /nfs/dbraw/zinc/47/91/26/461479126.db2.gz WHACOKBUZFZZLF-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3nsc4ccccc34)CC2)c1 ZINC000659882402 461480561 /nfs/dbraw/zinc/48/05/61/461480561.db2.gz VLTLZMOEAJFAHA-UHFFFAOYSA-N 2 2 340.452 3.022 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cccs1 ZINC000631034291 461486338 /nfs/dbraw/zinc/48/63/38/461486338.db2.gz QTGAZRHMXPNTQR-INIZCTEOSA-N 2 2 346.496 3.310 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)sn1 ZINC000638567240 461489281 /nfs/dbraw/zinc/48/92/81/461489281.db2.gz KRJAGPKXHJDTSH-AWEZNQCLSA-N 2 2 348.491 3.193 20 0 EGADLP CCC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000653081245 461492025 /nfs/dbraw/zinc/49/20/25/461492025.db2.gz IDXGOZWCCPRWLT-CABCVRRESA-N 2 2 346.302 3.230 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655850483 461497872 /nfs/dbraw/zinc/49/78/72/461497872.db2.gz WBFWHZXCZQNAHY-QXAKKESOSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655850483 461497878 /nfs/dbraw/zinc/49/78/78/461497878.db2.gz WBFWHZXCZQNAHY-QXAKKESOSA-N 2 2 329.488 3.319 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655849919 461499108 /nfs/dbraw/zinc/49/91/08/461499108.db2.gz QWLAJQLJGNBCSW-DBVUQKKJSA-N 2 2 332.488 3.379 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655849919 461499116 /nfs/dbraw/zinc/49/91/16/461499116.db2.gz QWLAJQLJGNBCSW-DBVUQKKJSA-N 2 2 332.488 3.379 20 0 EGADLP c1cc2c(cc1C[NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)OCCCCO2 ZINC000655859053 461507445 /nfs/dbraw/zinc/50/74/45/461507445.db2.gz DFHQYQYTUYYMSZ-ZWKOTPCHSA-N 2 2 330.472 3.345 20 0 EGADLP c1cc2c(cc1C[NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)OCCCCO2 ZINC000655859053 461507451 /nfs/dbraw/zinc/50/74/51/461507451.db2.gz DFHQYQYTUYYMSZ-ZWKOTPCHSA-N 2 2 330.472 3.345 20 0 EGADLP COc1ccccc1N1CCC([NH2+]CCc2cc[nH+]cc2C)CC1 ZINC000631105884 461553602 /nfs/dbraw/zinc/55/36/02/461553602.db2.gz LLRMDTYVNGLCCP-UHFFFAOYSA-N 2 2 325.456 3.200 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000666304709 461559352 /nfs/dbraw/zinc/55/93/52/461559352.db2.gz QLSQCELMYDDMRU-LJQANCHMSA-N 2 2 339.418 3.353 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000666304709 461559360 /nfs/dbraw/zinc/55/93/60/461559360.db2.gz QLSQCELMYDDMRU-LJQANCHMSA-N 2 2 339.418 3.353 20 0 EGADLP Brc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663345658 461575016 /nfs/dbraw/zinc/57/50/16/461575016.db2.gz MUOHHLPBJOPEJF-LBPRGKRZSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663345658 461575020 /nfs/dbraw/zinc/57/50/20/461575020.db2.gz MUOHHLPBJOPEJF-LBPRGKRZSA-N 2 2 344.322 3.117 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140079 461584958 /nfs/dbraw/zinc/58/49/58/461584958.db2.gz SEAMTBYJPKILCZ-UYAOXDASSA-N 2 2 337.467 3.008 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140079 461584967 /nfs/dbraw/zinc/58/49/67/461584967.db2.gz SEAMTBYJPKILCZ-UYAOXDASSA-N 2 2 337.467 3.008 20 0 EGADLP COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1Cl ZINC000660118774 461590194 /nfs/dbraw/zinc/59/01/94/461590194.db2.gz WKHWSBSVMMGREF-ZMSDIMECSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1Cl ZINC000660118774 461590205 /nfs/dbraw/zinc/59/02/05/461590205.db2.gz WKHWSBSVMMGREF-ZMSDIMECSA-N 2 2 338.879 3.032 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000643064160 461601677 /nfs/dbraw/zinc/60/16/77/461601677.db2.gz ORSBXDOHPQXSKP-NVXWUHKLSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000643064160 461601690 /nfs/dbraw/zinc/60/16/90/461601690.db2.gz ORSBXDOHPQXSKP-NVXWUHKLSA-N 2 2 329.419 3.445 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069272 461602505 /nfs/dbraw/zinc/60/25/05/461602505.db2.gz QMNFRGVBMBKMTC-RISCZKNCSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069272 461602509 /nfs/dbraw/zinc/60/25/09/461602509.db2.gz QMNFRGVBMBKMTC-RISCZKNCSA-N 2 2 342.270 3.006 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467440 461656790 /nfs/dbraw/zinc/65/67/90/461656790.db2.gz FWRKBGYHQCOWLI-KXBFYZLASA-N 2 2 338.442 3.364 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467440 461656799 /nfs/dbraw/zinc/65/67/99/461656799.db2.gz FWRKBGYHQCOWLI-KXBFYZLASA-N 2 2 338.442 3.364 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467439 461656982 /nfs/dbraw/zinc/65/69/82/461656982.db2.gz FWRKBGYHQCOWLI-HNAYVOBHSA-N 2 2 338.442 3.364 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467439 461656991 /nfs/dbraw/zinc/65/69/91/461656991.db2.gz FWRKBGYHQCOWLI-HNAYVOBHSA-N 2 2 338.442 3.364 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501960 461674684 /nfs/dbraw/zinc/67/46/84/461674684.db2.gz LXFCIUGSWQMZQO-UHFFFAOYSA-N 2 2 339.277 3.080 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498474 461736359 /nfs/dbraw/zinc/73/63/59/461736359.db2.gz IESMQLXETJOJDN-UKRRQHHQSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498474 461736355 /nfs/dbraw/zinc/73/63/55/461736355.db2.gz IESMQLXETJOJDN-UKRRQHHQSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000643506661 461747990 /nfs/dbraw/zinc/74/79/90/461747990.db2.gz DROGSUIJZDCNHF-WMLDXEAASA-N 2 2 336.451 3.176 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647533775 461750417 /nfs/dbraw/zinc/75/04/17/461750417.db2.gz XVKNAGMHFCATIY-FXAWDEMLSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647533775 461750426 /nfs/dbraw/zinc/75/04/26/461750426.db2.gz XVKNAGMHFCATIY-FXAWDEMLSA-N 2 2 332.451 3.209 20 0 EGADLP Brc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643515840 461750672 /nfs/dbraw/zinc/75/06/72/461750672.db2.gz UDNXWNMXQYNPCE-ARFHVFGLSA-N 2 2 339.277 3.011 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000643537298 461757422 /nfs/dbraw/zinc/75/74/22/461757422.db2.gz DPZZCRBAFDDJCJ-KWBADKCTSA-N 2 2 333.234 3.497 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544081 461758909 /nfs/dbraw/zinc/75/89/09/461758909.db2.gz WMXCDIFKNMJSFZ-CVEARBPZSA-N 3 2 330.501 3.145 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544081 461758913 /nfs/dbraw/zinc/75/89/13/461758913.db2.gz WMXCDIFKNMJSFZ-CVEARBPZSA-N 3 2 330.501 3.145 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498703 461768139 /nfs/dbraw/zinc/76/81/39/461768139.db2.gz AHABNLNORGWSAS-IJXRJRJASA-N 2 2 346.540 3.399 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498703 461768146 /nfs/dbraw/zinc/76/81/46/461768146.db2.gz AHABNLNORGWSAS-IJXRJRJASA-N 2 2 346.540 3.399 20 0 EGADLP CO[C@H](C[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000639182394 461787741 /nfs/dbraw/zinc/78/77/41/461787741.db2.gz FSEPKNCJZUKRBH-NJDAHSKKSA-N 2 2 348.531 3.129 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000666770082 461795470 /nfs/dbraw/zinc/79/54/70/461795470.db2.gz KLXIPWQHDBAMRK-AWEZNQCLSA-N 2 2 346.393 3.258 20 0 EGADLP CC(C)O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475828 461801002 /nfs/dbraw/zinc/80/10/02/461801002.db2.gz VRNBNVLDTISGPY-RTWAWAEBSA-N 2 2 346.515 3.339 20 0 EGADLP CC(C)O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475828 461801008 /nfs/dbraw/zinc/80/10/08/461801008.db2.gz VRNBNVLDTISGPY-RTWAWAEBSA-N 2 2 346.515 3.339 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926386 461890488 /nfs/dbraw/zinc/89/04/88/461890488.db2.gz BWAGOXZDQACQSH-INIZCTEOSA-N 2 2 337.467 3.494 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647938342 461896432 /nfs/dbraw/zinc/89/64/32/461896432.db2.gz KGXIVXUWXVRQOP-KCYZZUKISA-N 2 2 343.471 3.058 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647938342 461896436 /nfs/dbraw/zinc/89/64/36/461896436.db2.gz KGXIVXUWXVRQOP-KCYZZUKISA-N 2 2 343.471 3.058 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1OC ZINC000656790248 461899611 /nfs/dbraw/zinc/89/96/11/461899611.db2.gz LXIWNNHMIKNPCP-QZTJIDSGSA-N 2 2 344.430 3.078 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCCC1 ZINC000656789820 461900153 /nfs/dbraw/zinc/90/01/53/461900153.db2.gz ZQMOGZRKJXNYES-UHFFFAOYSA-N 2 2 349.276 3.200 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654990 461905839 /nfs/dbraw/zinc/90/58/39/461905839.db2.gz JXLQMSBCMFIGPQ-BEFAXECRSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654990 461905846 /nfs/dbraw/zinc/90/58/46/461905846.db2.gz JXLQMSBCMFIGPQ-BEFAXECRSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654990 461905854 /nfs/dbraw/zinc/90/58/54/461905854.db2.gz JXLQMSBCMFIGPQ-BEFAXECRSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654990 461905857 /nfs/dbraw/zinc/90/58/57/461905857.db2.gz JXLQMSBCMFIGPQ-BEFAXECRSA-N 2 2 326.444 3.215 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656724 461907186 /nfs/dbraw/zinc/90/71/86/461907186.db2.gz WVZWSTYYDPXISW-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656724 461907191 /nfs/dbraw/zinc/90/71/91/461907191.db2.gz WVZWSTYYDPXISW-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656724 461907196 /nfs/dbraw/zinc/90/71/96/461907196.db2.gz WVZWSTYYDPXISW-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656724 461907200 /nfs/dbraw/zinc/90/72/00/461907200.db2.gz WVZWSTYYDPXISW-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2F)CC1 ZINC000650717907 461909244 /nfs/dbraw/zinc/90/92/44/461909244.db2.gz QJNKVRFPNOHMFE-YWZLYKJASA-N 3 2 333.495 3.417 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccc(F)cc1F)C2 ZINC000660664657 461912713 /nfs/dbraw/zinc/91/27/13/461912713.db2.gz RISYUQUBWAWQHA-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCSc1ccc(F)cc1F)C2 ZINC000660664657 461912718 /nfs/dbraw/zinc/91/27/18/461912718.db2.gz RISYUQUBWAWQHA-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCSc1ccc(F)cc1F)C2 ZINC000660664657 461912722 /nfs/dbraw/zinc/91/27/22/461912722.db2.gz RISYUQUBWAWQHA-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCSc1ccc(F)cc1F)C2 ZINC000660664657 461912727 /nfs/dbraw/zinc/91/27/27/461912727.db2.gz RISYUQUBWAWQHA-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP COc1cccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000660675293 461919812 /nfs/dbraw/zinc/91/98/12/461919812.db2.gz HNMCLTFOGNIMPO-UHFFFAOYSA-N 2 2 340.467 3.328 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011459 461941049 /nfs/dbraw/zinc/94/10/49/461941049.db2.gz RTGUJFJCJYTCLK-INIZCTEOSA-N 2 2 330.476 3.152 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011459 461941055 /nfs/dbraw/zinc/94/10/55/461941055.db2.gz RTGUJFJCJYTCLK-INIZCTEOSA-N 2 2 330.476 3.152 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011459 461941062 /nfs/dbraw/zinc/94/10/62/461941062.db2.gz RTGUJFJCJYTCLK-INIZCTEOSA-N 2 2 330.476 3.152 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011459 461941069 /nfs/dbraw/zinc/94/10/69/461941069.db2.gz RTGUJFJCJYTCLK-INIZCTEOSA-N 2 2 330.476 3.152 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1c(Cl)oc3ccccc31)CCO2 ZINC000648072032 461968071 /nfs/dbraw/zinc/96/80/71/461968071.db2.gz IFGYZWFPWPUIDL-UHFFFAOYSA-N 2 2 334.847 3.383 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c(Cl)oc3ccccc31)CCO2 ZINC000648072032 461968074 /nfs/dbraw/zinc/96/80/74/461968074.db2.gz IFGYZWFPWPUIDL-UHFFFAOYSA-N 2 2 334.847 3.383 20 0 EGADLP Cc1nnsc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857354 461998502 /nfs/dbraw/zinc/99/85/02/461998502.db2.gz MCQPBTMVLDRSKW-UHFFFAOYSA-N 2 2 327.457 3.178 20 0 EGADLP CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000639575975 461999558 /nfs/dbraw/zinc/99/95/58/461999558.db2.gz QPVMBMAGEFTRFO-UHFFFAOYSA-N 2 2 341.459 3.102 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000644624250 462015267 /nfs/dbraw/zinc/01/52/67/462015267.db2.gz SGEANEFJHZLIPI-QRWLVFNGSA-N 2 2 343.446 3.435 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657310715 462034388 /nfs/dbraw/zinc/03/43/88/462034388.db2.gz RPTOFJBVDDQUKX-QGZVFWFLSA-N 3 2 338.499 3.494 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657310715 462034393 /nfs/dbraw/zinc/03/43/93/462034393.db2.gz RPTOFJBVDDQUKX-QGZVFWFLSA-N 3 2 338.499 3.494 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000657364039 462072806 /nfs/dbraw/zinc/07/28/06/462072806.db2.gz SAEJWCGTGAWCAT-BBRMVZONSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000657364039 462072810 /nfs/dbraw/zinc/07/28/10/462072810.db2.gz SAEJWCGTGAWCAT-BBRMVZONSA-N 2 2 344.421 3.331 20 0 EGADLP COC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C(F)(F)F)c1 ZINC000657363765 462073716 /nfs/dbraw/zinc/07/37/16/462073716.db2.gz BLGXTFCYINUHSB-HNNXBMFYSA-N 2 2 339.361 3.325 20 0 EGADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)c(OC(F)F)c1 ZINC000657397073 462095669 /nfs/dbraw/zinc/09/56/69/462095669.db2.gz MRHMPEYQOUCNJA-UHFFFAOYSA-N 2 2 339.386 3.409 20 0 EGADLP Cc1c[nH]c(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)[nH+]1 ZINC000657408070 462103404 /nfs/dbraw/zinc/10/34/04/462103404.db2.gz CEDXOKYAQOGCKA-UHFFFAOYSA-N 2 2 341.459 3.145 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138361 462103574 /nfs/dbraw/zinc/10/35/74/462103574.db2.gz FUKCSFPGGVPBEJ-NVXWUHKLSA-N 2 2 347.507 3.233 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138361 462103581 /nfs/dbraw/zinc/10/35/81/462103581.db2.gz FUKCSFPGGVPBEJ-NVXWUHKLSA-N 2 2 347.507 3.233 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)n1C ZINC000657414934 462107801 /nfs/dbraw/zinc/10/78/01/462107801.db2.gz WQWKDTRJNJGBKJ-UHFFFAOYSA-N 2 2 327.350 3.097 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000667564227 462145763 /nfs/dbraw/zinc/14/57/63/462145763.db2.gz FWYQYHSAHBRNNU-UHFFFAOYSA-N 2 2 335.249 3.255 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657587694 462193383 /nfs/dbraw/zinc/19/33/83/462193383.db2.gz ZVWMQLNHEFQYFB-UHFFFAOYSA-N 2 2 346.393 3.210 20 0 EGADLP Cc1[nH+]cc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1C ZINC000667670404 462203276 /nfs/dbraw/zinc/20/32/76/462203276.db2.gz NDTXSBZDXCIURX-AWEZNQCLSA-N 2 2 332.879 3.261 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000645154716 462205269 /nfs/dbraw/zinc/20/52/69/462205269.db2.gz NTRCAWNJSBOBJV-CVEARBPZSA-N 2 2 349.316 3.380 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000645154716 462205275 /nfs/dbraw/zinc/20/52/75/462205275.db2.gz NTRCAWNJSBOBJV-CVEARBPZSA-N 2 2 349.316 3.380 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000667736910 462239121 /nfs/dbraw/zinc/23/91/21/462239121.db2.gz XJVLUSMCKAHPPK-UHFFFAOYSA-N 2 2 341.459 3.066 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@@H+]1C ZINC000648736495 462252258 /nfs/dbraw/zinc/25/22/58/462252258.db2.gz XOYBFFSNMSGWNQ-RDTXWAMCSA-N 2 2 338.455 3.165 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC[N@H+]1C ZINC000648736495 462252263 /nfs/dbraw/zinc/25/22/63/462252263.db2.gz XOYBFFSNMSGWNQ-RDTXWAMCSA-N 2 2 338.455 3.165 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C[N@@H+]1C1CC1 ZINC000657802701 462275403 /nfs/dbraw/zinc/27/54/03/462275403.db2.gz FJWMQEUJTNXAOD-OZOXKJRCSA-N 2 2 344.499 3.097 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C[N@H+]1C1CC1 ZINC000657802701 462275410 /nfs/dbraw/zinc/27/54/10/462275410.db2.gz FJWMQEUJTNXAOD-OZOXKJRCSA-N 2 2 344.499 3.097 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000645416257 462318294 /nfs/dbraw/zinc/31/82/94/462318294.db2.gz RRJMZNUYQPFKNJ-IBGZPJMESA-N 2 2 336.907 3.362 20 0 EGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641583 462343295 /nfs/dbraw/zinc/34/32/95/462343295.db2.gz DFTWCFISOJEAEN-IUODEOHRSA-N 2 2 331.287 3.443 20 0 EGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641583 462343303 /nfs/dbraw/zinc/34/33/03/462343303.db2.gz DFTWCFISOJEAEN-IUODEOHRSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641583 462343307 /nfs/dbraw/zinc/34/33/07/462343307.db2.gz DFTWCFISOJEAEN-IUODEOHRSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641583 462343313 /nfs/dbraw/zinc/34/33/13/462343313.db2.gz DFTWCFISOJEAEN-IUODEOHRSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000658070435 462367825 /nfs/dbraw/zinc/36/78/25/462367825.db2.gz YWQCUATWZKINAC-VKJFTORMSA-N 2 2 333.907 3.239 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000658070435 462367831 /nfs/dbraw/zinc/36/78/31/462367831.db2.gz YWQCUATWZKINAC-VKJFTORMSA-N 2 2 333.907 3.239 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(C)n1 ZINC000665254629 462370635 /nfs/dbraw/zinc/37/06/35/462370635.db2.gz VTBGTRZLZMXPSV-BOFPYLFWSA-N 2 2 328.435 3.029 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000668084304 462412921 /nfs/dbraw/zinc/41/29/21/462412921.db2.gz GXVIYLHOTLPZPK-OAHLLOKOSA-N 2 2 348.244 3.201 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000668084304 462412926 /nfs/dbraw/zinc/41/29/26/462412926.db2.gz GXVIYLHOTLPZPK-OAHLLOKOSA-N 2 2 348.244 3.201 20 0 EGADLP C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534983 462433186 /nfs/dbraw/zinc/43/31/86/462433186.db2.gz YHGDZFALTDZNJB-KRWDZBQOSA-N 2 2 348.539 3.437 20 0 EGADLP C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534983 462433189 /nfs/dbraw/zinc/43/31/89/462433189.db2.gz YHGDZFALTDZNJB-KRWDZBQOSA-N 2 2 348.539 3.437 20 0 EGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2cc1Cl ZINC000649224986 462444926 /nfs/dbraw/zinc/44/49/26/462444926.db2.gz LBOAONKFUJWPPJ-CYBMUJFWSA-N 2 2 349.837 3.328 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640571796 462445101 /nfs/dbraw/zinc/44/51/01/462445101.db2.gz VZYNZXULWARUNE-IRXDYDNUSA-N 2 2 338.373 3.057 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140660 462447091 /nfs/dbraw/zinc/44/70/91/462447091.db2.gz YVTBPCSPWZATHE-YESZJQIVSA-N 2 2 348.487 3.380 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140660 462447095 /nfs/dbraw/zinc/44/70/95/462447095.db2.gz YVTBPCSPWZATHE-YESZJQIVSA-N 2 2 348.487 3.380 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252816 462456814 /nfs/dbraw/zinc/45/68/14/462456814.db2.gz HCRPCEFDZLFDQL-ZVDOUQERSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252816 462456818 /nfs/dbraw/zinc/45/68/18/462456818.db2.gz HCRPCEFDZLFDQL-ZVDOUQERSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252816 462456820 /nfs/dbraw/zinc/45/68/20/462456820.db2.gz HCRPCEFDZLFDQL-ZVDOUQERSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252816 462456822 /nfs/dbraw/zinc/45/68/22/462456822.db2.gz HCRPCEFDZLFDQL-ZVDOUQERSA-N 2 2 327.516 3.318 20 0 EGADLP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000658294611 462460478 /nfs/dbraw/zinc/46/04/78/462460478.db2.gz OGAZSOSIPBDNKL-NHCUHLMSSA-N 2 2 330.516 3.405 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1N(C)C ZINC000130658153 533874765 /nfs/dbraw/zinc/87/47/65/533874765.db2.gz XXEDDBSJPCNKBN-AWEZNQCLSA-N 2 2 326.419 3.433 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000134019372 534270504 /nfs/dbraw/zinc/27/05/04/534270504.db2.gz CZCHTLLESNMTJU-HNNXBMFYSA-N 2 2 332.879 3.179 20 0 EGADLP CC[NH+](CC)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000131421968 528112886 /nfs/dbraw/zinc/11/28/86/528112886.db2.gz YDFCGNMOOXKCJE-UHFFFAOYSA-N 3 2 335.511 3.154 20 0 EGADLP CCCCNC(=O)c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000179417863 528551737 /nfs/dbraw/zinc/55/17/37/528551737.db2.gz GRHHIZDMYARAKE-UHFFFAOYSA-N 2 2 336.439 3.154 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000159256972 528988816 /nfs/dbraw/zinc/98/88/16/528988816.db2.gz HMSWPIVMVNDPKE-ZDUSSCGKSA-N 2 2 347.894 3.364 20 0 EGADLP CCC[N@@H+]1CC[C@@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000264902770 534949973 /nfs/dbraw/zinc/94/99/73/534949973.db2.gz BZYLIIVOKOZCRT-INIZCTEOSA-N 2 2 325.460 3.299 20 0 EGADLP CCC[N@H+]1CC[C@@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000264902770 534949977 /nfs/dbraw/zinc/94/99/77/534949977.db2.gz BZYLIIVOKOZCRT-INIZCTEOSA-N 2 2 325.460 3.299 20 0 EGADLP CCCCN(C)C(=O)C1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353444998 535204599 /nfs/dbraw/zinc/20/45/99/535204599.db2.gz FQVKEDLMEHOGBU-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000264995164 535965643 /nfs/dbraw/zinc/96/56/43/535965643.db2.gz NWGDJJJZJLGFDN-GOSISDBHSA-N 2 2 343.515 3.236 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000264995164 535965647 /nfs/dbraw/zinc/96/56/47/535965647.db2.gz NWGDJJJZJLGFDN-GOSISDBHSA-N 2 2 343.515 3.236 20 0 EGADLP Cc1cccn2cc(CC[NH2+]C3CCN(c4ccccc4)CC3)[nH+]c12 ZINC000156323994 546910653 /nfs/dbraw/zinc/91/06/53/546910653.db2.gz VRJVYIBVJOQRMH-UHFFFAOYSA-N 2 2 334.467 3.444 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4ccc(F)cc43)[nH+]c2)C1 ZINC000346982555 547623100 /nfs/dbraw/zinc/62/31/00/547623100.db2.gz YXVMXLIHXPEKQE-HKUYNNGSSA-N 2 2 340.446 3.460 20 0 EGADLP C[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000443671834 547921714 /nfs/dbraw/zinc/92/17/14/547921714.db2.gz DPNSFMHCHLIHLW-LBPRGKRZSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@H]1COCC[N@H+]1CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000443671834 547921717 /nfs/dbraw/zinc/92/17/17/547921717.db2.gz DPNSFMHCHLIHLW-LBPRGKRZSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@H](CC[N@@H+]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838894 547928221 /nfs/dbraw/zinc/92/82/21/547928221.db2.gz FOYIYSXYVNAMEN-KZNAEPCWSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[N@H+]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838894 547928225 /nfs/dbraw/zinc/92/82/25/547928225.db2.gz FOYIYSXYVNAMEN-KZNAEPCWSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@@H](C(C)(C)C)C1)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838894 547928229 /nfs/dbraw/zinc/92/82/29/547928229.db2.gz FOYIYSXYVNAMEN-KZNAEPCWSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@@H](C(C)(C)C)C1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447838894 547928233 /nfs/dbraw/zinc/92/82/33/547928233.db2.gz FOYIYSXYVNAMEN-KZNAEPCWSA-N 2 2 340.552 3.259 20 0 EGADLP CCOc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC000675753804 548975094 /nfs/dbraw/zinc/97/50/94/548975094.db2.gz BJMFNUSHBRCVQZ-IBGZPJMESA-N 2 2 330.472 3.373 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCCO2 ZINC000675881145 548995733 /nfs/dbraw/zinc/99/57/33/548995733.db2.gz JYKBEBJPJTZDCW-HKUYNNGSSA-N 2 2 348.462 3.272 20 0 EGADLP CN(C(=O)C[C@@H]1CCCCC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676883445 549172596 /nfs/dbraw/zinc/17/25/96/549172596.db2.gz OVZUPACRCOJJDP-PKOBYXMFSA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)C[C@@H]1CCCCC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676883445 549172600 /nfs/dbraw/zinc/17/26/00/549172600.db2.gz OVZUPACRCOJJDP-PKOBYXMFSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(Cc4ccccc4)C3)c2cc1C ZINC000677716956 549316079 /nfs/dbraw/zinc/31/60/79/549316079.db2.gz JONVJSKNUNKZFJ-HXUWFJFHSA-N 2 2 349.478 3.189 20 0 EGADLP CC(C)(C)C1CCC(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000678080297 549392130 /nfs/dbraw/zinc/39/21/30/549392130.db2.gz XJIBGQDIHVPIEH-FAFZWHIHSA-N 2 2 349.563 3.253 20 0 EGADLP CC(C)(C)C1CCC(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000678080297 549392131 /nfs/dbraw/zinc/39/21/31/549392131.db2.gz XJIBGQDIHVPIEH-FAFZWHIHSA-N 2 2 349.563 3.253 20 0 EGADLP CCOc1c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)nn1CC(C)C ZINC000678234219 549435383 /nfs/dbraw/zinc/43/53/83/549435383.db2.gz AJICKXQUECMSSX-QGZVFWFLSA-N 2 2 345.491 3.280 20 0 EGADLP CCOc1c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)nn1CC(C)C ZINC000678234219 549435385 /nfs/dbraw/zinc/43/53/85/549435385.db2.gz AJICKXQUECMSSX-QGZVFWFLSA-N 2 2 345.491 3.280 20 0 EGADLP C[C@@](CO)([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000678302497 549464211 /nfs/dbraw/zinc/46/42/11/549464211.db2.gz FOCQHDLBUMTJCJ-KRWDZBQOSA-N 2 2 349.356 3.350 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)s1 ZINC000678599192 549528599 /nfs/dbraw/zinc/52/85/99/549528599.db2.gz WTLPPUPDXJYOIC-ZLIFDBKOSA-N 2 2 337.533 3.178 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000678883793 549587315 /nfs/dbraw/zinc/58/73/15/549587315.db2.gz ULSQHBYQFVZMOH-PHIMTYICSA-N 2 2 329.288 3.336 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000678883793 549587319 /nfs/dbraw/zinc/58/73/19/549587319.db2.gz ULSQHBYQFVZMOH-PHIMTYICSA-N 2 2 329.288 3.336 20 0 EGADLP Cn1cc[nH+]c1[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(F)c1 ZINC000679581406 549739408 /nfs/dbraw/zinc/73/94/08/549739408.db2.gz FADCTZDAAXJJEC-SFHVURJKSA-N 2 2 348.385 3.341 20 0 EGADLP CC[C@@H](C)CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000680188372 549829802 /nfs/dbraw/zinc/82/98/02/549829802.db2.gz ARIMSLNPXYYCQK-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP CC[C@@H](C)CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000680188372 549829804 /nfs/dbraw/zinc/82/98/04/549829804.db2.gz ARIMSLNPXYYCQK-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401524 549992966 /nfs/dbraw/zinc/99/29/66/549992966.db2.gz HIDFNIDNAMEFIP-LAUBAEHRSA-N 3 2 329.532 3.217 20 0 EGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401524 549992968 /nfs/dbraw/zinc/99/29/68/549992968.db2.gz HIDFNIDNAMEFIP-LAUBAEHRSA-N 3 2 329.532 3.217 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1C ZINC000682075479 550069559 /nfs/dbraw/zinc/06/95/59/550069559.db2.gz HJWZIVSPZXVUBY-MRXNPFEDSA-N 2 2 340.471 3.294 20 0 EGADLP CN(Cc1cscc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457142 550419035 /nfs/dbraw/zinc/41/90/35/550419035.db2.gz GGORYNCVSBYKPW-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP CN(Cc1cscc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457142 550419038 /nfs/dbraw/zinc/41/90/38/550419038.db2.gz GGORYNCVSBYKPW-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP C[N@H+](Cc1cscc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457142 550419040 /nfs/dbraw/zinc/41/90/40/550419040.db2.gz GGORYNCVSBYKPW-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP C[N@@H+](Cc1cscc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457142 550419042 /nfs/dbraw/zinc/41/90/42/550419042.db2.gz GGORYNCVSBYKPW-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP CCc1ccc2c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000729265865 574834766 /nfs/dbraw/zinc/83/47/66/574834766.db2.gz QTHZPHQCLLQTBP-QGZVFWFLSA-N 2 2 337.423 3.389 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1OCc1ccccc1 ZINC000729682607 574878412 /nfs/dbraw/zinc/87/84/12/574878412.db2.gz WNALZBUVDZNXSR-GOSISDBHSA-N 2 2 326.440 3.068 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1OCc1ccccc1 ZINC000729682607 574878414 /nfs/dbraw/zinc/87/84/14/574878414.db2.gz WNALZBUVDZNXSR-GOSISDBHSA-N 2 2 326.440 3.068 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1OCc1ccc(F)cc1 ZINC000729682438 574878762 /nfs/dbraw/zinc/87/87/62/574878762.db2.gz RBXGCHYUIOZPGT-SFHVURJKSA-N 2 2 344.430 3.207 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1OCc1ccc(F)cc1 ZINC000729682438 574878764 /nfs/dbraw/zinc/87/87/64/574878764.db2.gz RBXGCHYUIOZPGT-SFHVURJKSA-N 2 2 344.430 3.207 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000731846892 575211831 /nfs/dbraw/zinc/21/18/31/575211831.db2.gz QVPRLRHGVSSTIX-MRXNPFEDSA-N 2 2 343.309 3.146 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000731846892 575211833 /nfs/dbraw/zinc/21/18/33/575211833.db2.gz QVPRLRHGVSSTIX-MRXNPFEDSA-N 2 2 343.309 3.146 20 0 EGADLP Cc1ccc([C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+](C)C)cc1 ZINC000733188553 575318557 /nfs/dbraw/zinc/31/85/57/575318557.db2.gz IEONVELBLYTILK-QGZVFWFLSA-N 2 2 325.460 3.100 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693908 576184180 /nfs/dbraw/zinc/18/41/80/576184180.db2.gz HMOHBJIPLATDJO-KDOFPFPSSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693908 576184184 /nfs/dbraw/zinc/18/41/84/576184184.db2.gz HMOHBJIPLATDJO-KDOFPFPSSA-N 2 2 333.451 3.149 20 0 EGADLP COc1c(C)c[nH+]c(COC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1C ZINC000741012468 576645974 /nfs/dbraw/zinc/64/59/74/576645974.db2.gz XWBZVEOZBDRXJW-QGZVFWFLSA-N 2 2 334.460 3.261 20 0 EGADLP Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000742220475 576759212 /nfs/dbraw/zinc/75/92/12/576759212.db2.gz OAICLWJTLZIPCD-FQEVSTJZSA-N 2 2 342.483 3.089 20 0 EGADLP Cc1ccc(CC[N@H+](Cc2ccco2)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000742220475 576759214 /nfs/dbraw/zinc/75/92/14/576759214.db2.gz OAICLWJTLZIPCD-FQEVSTJZSA-N 2 2 342.483 3.089 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000743862908 576817447 /nfs/dbraw/zinc/81/74/47/576817447.db2.gz MUOOGICZTXOAKN-AWEZNQCLSA-N 2 2 349.910 3.094 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000743862908 576817448 /nfs/dbraw/zinc/81/74/48/576817448.db2.gz MUOOGICZTXOAKN-AWEZNQCLSA-N 2 2 349.910 3.094 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3c4ccccc4CC[C@@H]3C[NH+](C)C)ccn12 ZINC000891090481 1304959148 /nfs/dbraw/zinc/95/91/48/1304959148.db2.gz YGRBIVXXXLYJFN-GOSISDBHSA-N 2 2 348.450 3.166 20 0 EGADLP C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000048682228 1291615532 /nfs/dbraw/zinc/61/55/32/1291615532.db2.gz UEMAOQFDRZOYEY-MRXNPFEDSA-N 2 2 348.454 3.113 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)CCCn3cc[nH+]c3C)c2C1 ZINC000067179401 1292151985 /nfs/dbraw/zinc/15/19/85/1292151985.db2.gz AAVHKXBXXQHFMI-UHFFFAOYSA-N 2 2 326.444 3.336 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)CCCn3cc[nH+]c3C)c2C1 ZINC000067179401 1292151988 /nfs/dbraw/zinc/15/19/88/1292151988.db2.gz AAVHKXBXXQHFMI-UHFFFAOYSA-N 2 2 326.444 3.336 20 0 EGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000072923776 1292298080 /nfs/dbraw/zinc/29/80/80/1292298080.db2.gz QZEXMLFRBQYBEN-LJQANCHMSA-N 2 2 325.387 3.489 20 0 EGADLP C[NH+](C)CC(C)(C)[NH2+]CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000828615242 1292483428 /nfs/dbraw/zinc/48/34/28/1292483428.db2.gz NXZNAOQMXSYHDT-UHFFFAOYSA-N 2 2 341.540 3.344 20 0 EGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(OC)c1OC ZINC000079000480 1292538732 /nfs/dbraw/zinc/53/87/32/1292538732.db2.gz GAEDIWZWSLTYEJ-INIZCTEOSA-N 2 2 347.459 3.113 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+](C)CCCn3cc[nH+]c3)c2cc1C ZINC000124275335 1293471644 /nfs/dbraw/zinc/47/16/44/1293471644.db2.gz IKSCGERLYJRRKN-UHFFFAOYSA-N 2 2 325.412 3.128 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+](C)CCCn3cc[nH+]c3)c2cc1C ZINC000124275335 1293471648 /nfs/dbraw/zinc/47/16/48/1293471648.db2.gz IKSCGERLYJRRKN-UHFFFAOYSA-N 2 2 325.412 3.128 20 0 EGADLP CCOc1ccccc1NC(=O)CC[NH+]1CCC([NH+](CC)CC)CC1 ZINC000137277626 1293828728 /nfs/dbraw/zinc/82/87/28/1293828728.db2.gz WFPYXVRNJAZMMY-UHFFFAOYSA-N 2 2 347.503 3.220 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000155493791 1294101710 /nfs/dbraw/zinc/10/17/10/1294101710.db2.gz BULDXGOMFXRDPA-UHFFFAOYSA-N 2 2 348.434 3.187 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000155493791 1294101712 /nfs/dbraw/zinc/10/17/12/1294101712.db2.gz BULDXGOMFXRDPA-UHFFFAOYSA-N 2 2 348.434 3.187 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000161088766 1294284440 /nfs/dbraw/zinc/28/44/40/1294284440.db2.gz CWGSPYLTPRZWAI-RXVVDRJESA-N 3 2 344.547 3.184 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccnc(Cl)c1 ZINC000163728298 1294338833 /nfs/dbraw/zinc/33/88/33/1294338833.db2.gz AVARKJFKOOYVHC-HNNXBMFYSA-N 2 2 345.874 3.418 20 0 EGADLP CC/C=C(\C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178876541 1294760061 /nfs/dbraw/zinc/76/00/61/1294760061.db2.gz BMYBFOAVESHSMS-OGDZXRRGSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C=C(\C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178876541 1294760071 /nfs/dbraw/zinc/76/00/71/1294760071.db2.gz BMYBFOAVESHSMS-OGDZXRRGSA-N 2 2 335.536 3.138 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179435735 1294793767 /nfs/dbraw/zinc/79/37/67/1294793767.db2.gz DKTMXPQIFBURLB-LJQANCHMSA-N 2 2 349.482 3.120 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1C[NH+]1CCCCC1 ZINC000182218008 1295027815 /nfs/dbraw/zinc/02/78/15/1295027815.db2.gz GSAKDGCSVFMMFH-KRWDZBQOSA-N 3 2 342.487 3.228 20 0 EGADLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000187065090 1295365856 /nfs/dbraw/zinc/36/58/56/1295365856.db2.gz XQZIBFKGSQRBHQ-DGCLKSJQSA-N 2 2 327.266 3.208 20 0 EGADLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000187065090 1295365865 /nfs/dbraw/zinc/36/58/65/1295365865.db2.gz XQZIBFKGSQRBHQ-DGCLKSJQSA-N 2 2 327.266 3.208 20 0 EGADLP C[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000237698616 1296258722 /nfs/dbraw/zinc/25/87/22/1296258722.db2.gz XGQLPBXOMRRCFZ-HKUYNNGSSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309991897 1297081664 /nfs/dbraw/zinc/08/16/64/1297081664.db2.gz DUYPKZLAHIPRGZ-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP Cc1nc(NC[C@@H](C)C[NH+]2CCCCC2)c(Br)c(C)[nH+]1 ZINC000322916001 1297192678 /nfs/dbraw/zinc/19/26/78/1297192678.db2.gz UQYXQPVYHMTUBY-LLVKDONJSA-N 2 2 341.297 3.390 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898095 1297217916 /nfs/dbraw/zinc/21/79/16/1297217916.db2.gz VAXZIHKYIMWPNO-PBHICJAKSA-N 2 2 349.500 3.052 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000327114335 1297244943 /nfs/dbraw/zinc/24/49/43/1297244943.db2.gz GHJOCOJMMACSNG-PMACEKPBSA-N 2 2 346.515 3.387 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873203037 1297348540 /nfs/dbraw/zinc/34/85/40/1297348540.db2.gz MXEOEFZWYWHBLP-QGZVFWFLSA-N 2 2 332.444 3.106 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873203037 1297348550 /nfs/dbraw/zinc/34/85/50/1297348550.db2.gz MXEOEFZWYWHBLP-QGZVFWFLSA-N 2 2 332.444 3.106 20 0 EGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873227102 1297365830 /nfs/dbraw/zinc/36/58/30/1297365830.db2.gz GVYAWPFVELEOFW-UHFFFAOYSA-N 3 2 333.545 3.234 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620607 1297507504 /nfs/dbraw/zinc/50/75/04/1297507504.db2.gz CQPAEVPRZBNUDT-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620607 1297507514 /nfs/dbraw/zinc/50/75/14/1297507514.db2.gz CQPAEVPRZBNUDT-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061072 1297513549 /nfs/dbraw/zinc/51/35/49/1297513549.db2.gz DZHHJFNVFXDONM-RDJZCZTQSA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061072 1297513553 /nfs/dbraw/zinc/51/35/53/1297513553.db2.gz DZHHJFNVFXDONM-RDJZCZTQSA-N 2 2 340.471 3.189 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376427179 1297518002 /nfs/dbraw/zinc/51/80/02/1297518002.db2.gz NUUKGKPGTFPPGE-ZIAGYGMSSA-N 2 2 346.862 3.280 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376427179 1297518005 /nfs/dbraw/zinc/51/80/05/1297518005.db2.gz NUUKGKPGTFPPGE-ZIAGYGMSSA-N 2 2 346.862 3.280 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000383378470 1297571141 /nfs/dbraw/zinc/57/11/41/1297571141.db2.gz DMFCFNXGSLDSBW-IBGZPJMESA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000383378470 1297571147 /nfs/dbraw/zinc/57/11/47/1297571147.db2.gz DMFCFNXGSLDSBW-IBGZPJMESA-N 2 2 346.906 3.384 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000388215497 1297600513 /nfs/dbraw/zinc/60/05/13/1297600513.db2.gz SBIFERJLWCCXMY-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000388215497 1297600517 /nfs/dbraw/zinc/60/05/17/1297600517.db2.gz SBIFERJLWCCXMY-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000388215496 1297600775 /nfs/dbraw/zinc/60/07/75/1297600775.db2.gz SBIFERJLWCCXMY-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Br)c1 ZINC000388215496 1297600788 /nfs/dbraw/zinc/60/07/88/1297600788.db2.gz SBIFERJLWCCXMY-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511484 1297731280 /nfs/dbraw/zinc/73/12/80/1297731280.db2.gz LTSHBNNPMBICRD-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511484 1297731290 /nfs/dbraw/zinc/73/12/90/1297731290.db2.gz LTSHBNNPMBICRD-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C ZINC000711727387 1298262354 /nfs/dbraw/zinc/26/23/54/1298262354.db2.gz WDFNSBXODZPSHE-QFIPXVFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C ZINC000711727387 1298262360 /nfs/dbraw/zinc/26/23/60/1298262360.db2.gz WDFNSBXODZPSHE-QFIPXVFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000711727387 1298262368 /nfs/dbraw/zinc/26/23/68/1298262368.db2.gz WDFNSBXODZPSHE-QFIPXVFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000711727387 1298262373 /nfs/dbraw/zinc/26/23/73/1298262373.db2.gz WDFNSBXODZPSHE-QFIPXVFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)sc1Br ZINC000719259737 1298314177 /nfs/dbraw/zinc/31/41/77/1298314177.db2.gz UKGCXFFQMUYZRL-GFCCVEGCSA-N 2 2 344.322 3.178 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055052 1299134605 /nfs/dbraw/zinc/13/46/05/1299134605.db2.gz OBENPRTWXYEZMP-BLLLJJGKSA-N 2 2 336.892 3.364 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055052 1299134612 /nfs/dbraw/zinc/13/46/12/1299134612.db2.gz OBENPRTWXYEZMP-BLLLJJGKSA-N 2 2 336.892 3.364 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653094 1300127973 /nfs/dbraw/zinc/12/79/73/1300127973.db2.gz YHXMCGBKXRDTBY-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653094 1300127976 /nfs/dbraw/zinc/12/79/76/1300127976.db2.gz YHXMCGBKXRDTBY-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000878653094 1300127987 /nfs/dbraw/zinc/12/79/87/1300127987.db2.gz YHXMCGBKXRDTBY-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000878653094 1300127992 /nfs/dbraw/zinc/12/79/92/1300127992.db2.gz YHXMCGBKXRDTBY-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202858 1300298579 /nfs/dbraw/zinc/29/85/79/1300298579.db2.gz CLSCDGDGHLMUAT-UXPWSPDFSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755202858 1300298586 /nfs/dbraw/zinc/29/85/86/1300298586.db2.gz CLSCDGDGHLMUAT-UXPWSPDFSA-N 2 2 349.563 3.218 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000879062783 1300346652 /nfs/dbraw/zinc/34/66/52/1300346652.db2.gz WIBKJUBJKTUIDL-MRXNPFEDSA-N 2 2 330.463 3.389 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C2 ZINC000756033770 1300429751 /nfs/dbraw/zinc/42/97/51/1300429751.db2.gz WTFAGZCPBKKWAE-VQIMIIECSA-N 2 2 327.472 3.454 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880278329 1301019104 /nfs/dbraw/zinc/01/91/04/1301019104.db2.gz YOGLPEIMEXNJJS-QGZVFWFLSA-N 2 2 335.455 3.232 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880278329 1301019116 /nfs/dbraw/zinc/01/91/16/1301019116.db2.gz YOGLPEIMEXNJJS-QGZVFWFLSA-N 2 2 335.455 3.232 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273231 1302419021 /nfs/dbraw/zinc/41/90/21/1302419021.db2.gz OMNLIQFEPWPAPL-SJORKVTESA-N 2 2 342.487 3.134 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273231 1302419024 /nfs/dbraw/zinc/41/90/24/1302419024.db2.gz OMNLIQFEPWPAPL-SJORKVTESA-N 2 2 342.487 3.134 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883388581 1302427672 /nfs/dbraw/zinc/42/76/72/1302427672.db2.gz YBYHZXUVWMOAOZ-CTWPCTMYSA-N 2 2 341.455 3.336 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000766530005 1302469444 /nfs/dbraw/zinc/46/94/44/1302469444.db2.gz SBASLMABEXJXFZ-RBUKOAKNSA-N 2 2 331.504 3.125 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766795121 1302519243 /nfs/dbraw/zinc/51/92/43/1302519243.db2.gz AEZNXQQINAOJAU-CYBMUJFWSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766795121 1302519254 /nfs/dbraw/zinc/51/92/54/1302519254.db2.gz AEZNXQQINAOJAU-CYBMUJFWSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccsc1 ZINC000770401916 1303262796 /nfs/dbraw/zinc/26/27/96/1303262796.db2.gz NHENLVZHYORQEF-MRXNPFEDSA-N 2 2 342.468 3.209 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000886315263 1303431793 /nfs/dbraw/zinc/43/17/93/1303431793.db2.gz CZPNBEQSNRHMRE-WIYYLYMNSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000886315263 1303431798 /nfs/dbraw/zinc/43/17/98/1303431798.db2.gz CZPNBEQSNRHMRE-WIYYLYMNSA-N 2 2 346.515 3.072 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(CC(C)C)CC(C)C)CC2)[nH+]c1C ZINC000886671630 1303550275 /nfs/dbraw/zinc/55/02/75/1303550275.db2.gz AAJZJQAYEOCVHR-UHFFFAOYSA-N 2 2 348.535 3.347 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)NC3CCCCCCC3)CC2)[nH+]c1C ZINC000886672039 1303551442 /nfs/dbraw/zinc/55/14/42/1303551442.db2.gz HWKLRQWNLKDMQW-UHFFFAOYSA-N 2 2 346.519 3.435 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000886711520 1303574706 /nfs/dbraw/zinc/57/47/06/1303574706.db2.gz XNUUFLKDZYMMAQ-UHFFFAOYSA-N 2 2 341.503 3.463 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868149 1303619593 /nfs/dbraw/zinc/61/95/93/1303619593.db2.gz WQCLKBPWTJOSBZ-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868149 1303619599 /nfs/dbraw/zinc/61/95/99/1303619599.db2.gz WQCLKBPWTJOSBZ-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)co1 ZINC000886874669 1303622538 /nfs/dbraw/zinc/62/25/38/1303622538.db2.gz TXIPQPJEHVJNNA-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)co1 ZINC000886874669 1303622542 /nfs/dbraw/zinc/62/25/42/1303622542.db2.gz TXIPQPJEHVJNNA-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c[nH+]1 ZINC000775362064 1303945877 /nfs/dbraw/zinc/94/58/77/1303945877.db2.gz FJIGFBRIGDTTFA-KURKYZTESA-N 2 2 345.537 3.401 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c[nH+]1 ZINC000775362067 1303946077 /nfs/dbraw/zinc/94/60/77/1303946077.db2.gz FJIGFBRIGDTTFA-KZNAEPCWSA-N 2 2 345.537 3.401 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000775618761 1303996139 /nfs/dbraw/zinc/99/61/39/1303996139.db2.gz JDITWNOYUQLEMD-UHFFFAOYSA-N 2 2 336.480 3.041 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000775618761 1303996141 /nfs/dbraw/zinc/99/61/41/1303996141.db2.gz JDITWNOYUQLEMD-UHFFFAOYSA-N 2 2 336.480 3.041 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000775691442 1304017403 /nfs/dbraw/zinc/01/74/03/1304017403.db2.gz VDGSHGJVYJINJN-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000775691442 1304017408 /nfs/dbraw/zinc/01/74/08/1304017408.db2.gz VDGSHGJVYJINJN-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000888577443 1304203444 /nfs/dbraw/zinc/20/34/44/1304203444.db2.gz GAOYBAPBSQVCCX-IAGOWNOFSA-N 2 2 328.460 3.027 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000888577443 1304203451 /nfs/dbraw/zinc/20/34/51/1304203451.db2.gz GAOYBAPBSQVCCX-IAGOWNOFSA-N 2 2 328.460 3.027 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014080 1304518226 /nfs/dbraw/zinc/51/82/26/1304518226.db2.gz OIIDDJRNMLAGEN-IKGGRYGDSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014080 1304518228 /nfs/dbraw/zinc/51/82/28/1304518228.db2.gz OIIDDJRNMLAGEN-IKGGRYGDSA-N 2 2 339.524 3.001 20 0 EGADLP Cc1cc(F)ncc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000893203046 1305760890 /nfs/dbraw/zinc/76/08/90/1305760890.db2.gz RTICIRFBVATZGJ-HNNXBMFYSA-N 2 2 328.435 3.239 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(O)cc(Cl)c3)[nH+]c2)C1 ZINC000893206656 1305761468 /nfs/dbraw/zinc/76/14/68/1305761468.db2.gz SZINPCPRWRNOLG-INIZCTEOSA-N 2 2 346.862 3.193 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)CC1 ZINC000893324259 1305829627 /nfs/dbraw/zinc/82/96/27/1305829627.db2.gz QTUBKPROFIDUBX-UHFFFAOYSA-N 2 2 344.425 3.130 20 0 EGADLP Cc1c(Cl)cnn1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788382249 1305934040 /nfs/dbraw/zinc/93/40/40/1305934040.db2.gz MBEHZOUOARGZSI-UHFFFAOYSA-N 2 2 333.867 3.215 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788434640 1305941136 /nfs/dbraw/zinc/94/11/36/1305941136.db2.gz FHZQEIHUPPUMNA-GVDBMIGSSA-N 2 2 349.906 3.080 20 0 EGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000893679623 1306024420 /nfs/dbraw/zinc/02/44/20/1306024420.db2.gz VMNGRPATXGKLQY-KRWDZBQOSA-N 2 2 326.843 3.194 20 0 EGADLP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000893679623 1306024429 /nfs/dbraw/zinc/02/44/29/1306024429.db2.gz VMNGRPATXGKLQY-KRWDZBQOSA-N 2 2 326.843 3.194 20 0 EGADLP Clc1cc(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000893706772 1306042452 /nfs/dbraw/zinc/04/24/52/1306042452.db2.gz KSBONVLXSGWPSC-ZDUSSCGKSA-N 2 2 340.652 3.404 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894058345 1306194744 /nfs/dbraw/zinc/19/47/44/1306194744.db2.gz RTYOGENLWLWXHM-OAHLLOKOSA-N 2 2 343.471 3.118 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894058345 1306194749 /nfs/dbraw/zinc/19/47/49/1306194749.db2.gz RTYOGENLWLWXHM-OAHLLOKOSA-N 2 2 343.471 3.118 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000790680285 1308852737 /nfs/dbraw/zinc/85/27/37/1308852737.db2.gz QGBHYBHTDMDHRT-ZIAGYGMSSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000790680285 1308852744 /nfs/dbraw/zinc/85/27/44/1308852744.db2.gz QGBHYBHTDMDHRT-ZIAGYGMSSA-N 2 2 325.294 3.454 20 0 EGADLP Cn1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1C1CC1 ZINC000894473020 1308909247 /nfs/dbraw/zinc/90/92/47/1308909247.db2.gz ZNCGVAACWNYIHC-UHFFFAOYSA-N 2 2 327.476 3.186 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000793534060 1309397758 /nfs/dbraw/zinc/39/77/58/1309397758.db2.gz OIEFKAQTKIEFPY-HHXXYDBFSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000793534060 1309397765 /nfs/dbraw/zinc/39/77/65/1309397765.db2.gz OIEFKAQTKIEFPY-HHXXYDBFSA-N 2 2 326.488 3.290 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796293664 1309955882 /nfs/dbraw/zinc/95/58/82/1309955882.db2.gz HBJGQPXIRAKOTD-NSHDSACASA-N 2 2 327.259 3.073 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796293664 1309955885 /nfs/dbraw/zinc/95/58/85/1309955885.db2.gz HBJGQPXIRAKOTD-NSHDSACASA-N 2 2 327.259 3.073 20 0 EGADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)C2)c(F)c1 ZINC000897227812 1310231381 /nfs/dbraw/zinc/23/13/81/1310231381.db2.gz HLGOICDANAOWQO-PGEKIEPBSA-N 2 2 336.426 3.054 20 0 EGADLP Fc1ccc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)C2)c(F)c1 ZINC000897227812 1310231387 /nfs/dbraw/zinc/23/13/87/1310231387.db2.gz HLGOICDANAOWQO-PGEKIEPBSA-N 2 2 336.426 3.054 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330472 1310293463 /nfs/dbraw/zinc/29/34/63/1310293463.db2.gz CXIWABDEMJHYNC-INIZCTEOSA-N 2 2 330.394 3.203 20 0 EGADLP CCc1nc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)co1 ZINC000825058308 1320307601 /nfs/dbraw/zinc/30/76/01/1320307601.db2.gz VNWUQBNSBMDIKY-UHFFFAOYSA-N 2 2 342.487 3.057 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000839180998 1320887539 /nfs/dbraw/zinc/88/75/39/1320887539.db2.gz FZQYFGZNBDVRAB-GOSISDBHSA-N 3 2 344.547 3.043 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000839180998 1320887543 /nfs/dbraw/zinc/88/75/43/1320887543.db2.gz FZQYFGZNBDVRAB-GOSISDBHSA-N 3 2 344.547 3.043 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019139546 1317068723 /nfs/dbraw/zinc/06/87/23/1317068723.db2.gz IEQFCMUSWHHRQX-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019139816 1317068824 /nfs/dbraw/zinc/06/88/24/1317068824.db2.gz WGUHRCILELUSPM-KRWDZBQOSA-N 2 2 338.455 3.029 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000858104323 1328684086 /nfs/dbraw/zinc/68/40/86/1328684086.db2.gz GTEYTQCFXVUURD-MRXNPFEDSA-N 2 2 346.475 3.209 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957612227 1317496063 /nfs/dbraw/zinc/49/60/63/1317496063.db2.gz KTMPODNJBUOIQX-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000902440528 1317578871 /nfs/dbraw/zinc/57/88/71/1317578871.db2.gz ZKVPDIXYNHXUJK-WSXQUGQNSA-N 2 2 326.440 3.288 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972956 1317635127 /nfs/dbraw/zinc/63/51/27/1317635127.db2.gz MSTKPJKAMJXYLU-ZIAGYGMSSA-N 2 2 345.409 3.252 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972956 1317635132 /nfs/dbraw/zinc/63/51/32/1317635132.db2.gz MSTKPJKAMJXYLU-ZIAGYGMSSA-N 2 2 345.409 3.252 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)ccc1OC ZINC000903370946 1317690970 /nfs/dbraw/zinc/69/09/70/1317690970.db2.gz LXAXYOWZLAJYDX-FUHWJXTLSA-N 2 2 336.451 3.128 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)s1 ZINC000809560108 1317831140 /nfs/dbraw/zinc/83/11/40/1317831140.db2.gz LNOJXRVFRJEBMK-PKOBYXMFSA-N 2 2 345.512 3.293 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)s1 ZINC000809560108 1317831149 /nfs/dbraw/zinc/83/11/49/1317831149.db2.gz LNOJXRVFRJEBMK-PKOBYXMFSA-N 2 2 345.512 3.293 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960151335 1318385624 /nfs/dbraw/zinc/38/56/24/1318385624.db2.gz ZWAIVEFSEGKDAA-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960156020 1318390342 /nfs/dbraw/zinc/39/03/42/1318390342.db2.gz QABDBWQAJSMSGM-APWZRJJASA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960156020 1318390352 /nfs/dbraw/zinc/39/03/52/1318390352.db2.gz QABDBWQAJSMSGM-APWZRJJASA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615340 1318465280 /nfs/dbraw/zinc/46/52/80/1318465280.db2.gz XDUYRYUGARQWAJ-BEFAXECRSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615340 1318465283 /nfs/dbraw/zinc/46/52/83/1318465283.db2.gz XDUYRYUGARQWAJ-BEFAXECRSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000813337075 1318537577 /nfs/dbraw/zinc/53/75/77/1318537577.db2.gz MBKCSRUUNKLDDI-AWEZNQCLSA-N 2 2 329.419 3.242 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001022284993 1318874917 /nfs/dbraw/zinc/87/49/17/1318874917.db2.gz ASXKFZWWUBHNLH-HDICACEKSA-N 2 2 348.450 3.230 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001022285868 1318877882 /nfs/dbraw/zinc/87/78/82/1318877882.db2.gz MVPLVPLFAOFKRY-XYPHTWIQSA-N 2 2 334.423 3.175 20 0 EGADLP CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022288131 1318878678 /nfs/dbraw/zinc/87/86/78/1318878678.db2.gz WUTVFJFNCRXUSC-HDICACEKSA-N 2 2 348.450 3.176 20 0 EGADLP c1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000930138899 1328795752 /nfs/dbraw/zinc/79/57/52/1328795752.db2.gz QNNVLXAWKAVZTF-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP c1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000930138899 1328795755 /nfs/dbraw/zinc/79/57/55/1328795755.db2.gz QNNVLXAWKAVZTF-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP C[N@H+](CCc1ccccc1F)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817275170 1319308935 /nfs/dbraw/zinc/30/89/35/1319308935.db2.gz WXQHITDNJKMYMY-UHFFFAOYSA-N 2 2 342.458 3.332 20 0 EGADLP C[N@@H+](CCc1ccccc1F)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817275170 1319308943 /nfs/dbraw/zinc/30/89/43/1319308943.db2.gz WXQHITDNJKMYMY-UHFFFAOYSA-N 2 2 342.458 3.332 20 0 EGADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817954620 1319475546 /nfs/dbraw/zinc/47/55/46/1319475546.db2.gz FDNFZPJUSAJKCV-OKZBNKHCSA-N 2 2 347.503 3.454 20 0 EGADLP NC(=[NH+]OCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000818090212 1319499689 /nfs/dbraw/zinc/49/96/89/1319499689.db2.gz APJLIJHHIVZZHQ-GOSISDBHSA-N 2 2 331.460 3.098 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445545 1319543952 /nfs/dbraw/zinc/54/39/52/1319543952.db2.gz UEJLATQJASABNP-HNNXBMFYSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445545 1319543959 /nfs/dbraw/zinc/54/39/59/1319543959.db2.gz UEJLATQJASABNP-HNNXBMFYSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819183824 1319660420 /nfs/dbraw/zinc/66/04/20/1319660420.db2.gz SYQWUDPAUZZMOE-QRWLVFNGSA-N 2 2 343.446 3.069 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843046842 1321461050 /nfs/dbraw/zinc/46/10/50/1321461050.db2.gz BYRDSXOEWBKUPZ-QGZVFWFLSA-N 2 2 346.906 3.372 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843046842 1321461051 /nfs/dbraw/zinc/46/10/51/1321461051.db2.gz BYRDSXOEWBKUPZ-QGZVFWFLSA-N 2 2 346.906 3.372 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843056869 1321463180 /nfs/dbraw/zinc/46/31/80/1321463180.db2.gz BFTUHERVTJRRTE-YOEHRIQHSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843056869 1321463183 /nfs/dbraw/zinc/46/31/83/1321463183.db2.gz BFTUHERVTJRRTE-YOEHRIQHSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1ccc(-n2c(Cl)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])nc2N(C)C)cc1 ZINC000843126904 1321473874 /nfs/dbraw/zinc/47/38/74/1321473874.db2.gz BAKDFNHLMAZYSC-KBPBESRZSA-N 2 2 349.910 3.116 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000843356305 1321504838 /nfs/dbraw/zinc/50/48/38/1321504838.db2.gz TWTLDHKXBIRHLR-HXUWFJFHSA-N 2 2 325.456 3.255 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354243 1321505191 /nfs/dbraw/zinc/50/51/91/1321505191.db2.gz WNOLNOZQLDBGQE-QFBILLFUSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354243 1321505196 /nfs/dbraw/zinc/50/51/96/1321505196.db2.gz WNOLNOZQLDBGQE-QFBILLFUSA-N 2 2 337.467 3.351 20 0 EGADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847486865 1321874571 /nfs/dbraw/zinc/87/45/71/1321874571.db2.gz KAJICYKQSILNEL-MRXNPFEDSA-N 2 2 348.878 3.079 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCCn4ccnc43)CC2)cc1 ZINC000848529706 1321970154 /nfs/dbraw/zinc/97/01/54/1321970154.db2.gz QEZCIFMWBPXFCC-IBGZPJMESA-N 2 2 339.487 3.043 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000848568420 1321978119 /nfs/dbraw/zinc/97/81/19/1321978119.db2.gz HZDMLVUKNHKQLX-OMYXNUHHSA-N 2 2 328.500 3.423 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000848568420 1321978121 /nfs/dbraw/zinc/97/81/21/1321978121.db2.gz HZDMLVUKNHKQLX-OMYXNUHHSA-N 2 2 328.500 3.423 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)cn1 ZINC000923878958 1322833955 /nfs/dbraw/zinc/83/39/55/1322833955.db2.gz ZKEXIIWAGBLNAC-HNNXBMFYSA-N 2 2 338.415 3.171 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)cn1 ZINC000923878958 1322833959 /nfs/dbraw/zinc/83/39/59/1322833959.db2.gz ZKEXIIWAGBLNAC-HNNXBMFYSA-N 2 2 338.415 3.171 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024012174 1323079750 /nfs/dbraw/zinc/07/97/50/1323079750.db2.gz GQDBLROWYHUZDR-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024012174 1323079755 /nfs/dbraw/zinc/07/97/55/1323079755.db2.gz GQDBLROWYHUZDR-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000924668120 1323104341 /nfs/dbraw/zinc/10/43/41/1323104341.db2.gz OPPJRSRHURECDD-GJZGRUSLSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000924668120 1323104346 /nfs/dbraw/zinc/10/43/46/1323104346.db2.gz OPPJRSRHURECDD-GJZGRUSLSA-N 2 2 328.460 3.461 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cnn(C)n1 ZINC000924674296 1323105442 /nfs/dbraw/zinc/10/54/42/1323105442.db2.gz ZXXHQXGZCAZAOT-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cnn(C)n1 ZINC000924674296 1323105446 /nfs/dbraw/zinc/10/54/46/1323105446.db2.gz ZXXHQXGZCAZAOT-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679717 1323109886 /nfs/dbraw/zinc/10/98/86/1323109886.db2.gz LVYMPUHOHHUNPG-JTDSTZFVSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679717 1323109889 /nfs/dbraw/zinc/10/98/89/1323109889.db2.gz LVYMPUHOHHUNPG-JTDSTZFVSA-N 2 2 339.487 3.306 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924690308 1323113769 /nfs/dbraw/zinc/11/37/69/1323113769.db2.gz YSMIAXDRJMQWGW-RTBURBONSA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924690308 1323113770 /nfs/dbraw/zinc/11/37/70/1323113770.db2.gz YSMIAXDRJMQWGW-RTBURBONSA-N 2 2 328.504 3.178 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cnn(C)n1 ZINC000925048812 1323256201 /nfs/dbraw/zinc/25/62/01/1323256201.db2.gz FYQGPINUPASQGT-MRXNPFEDSA-N 2 2 327.476 3.042 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3CCC3CC3)ccn12 ZINC001024440937 1323403551 /nfs/dbraw/zinc/40/35/51/1323403551.db2.gz VQUUKSXBUJBJSK-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3CCC3CC3)ccn12 ZINC001024440937 1323403554 /nfs/dbraw/zinc/40/35/54/1323403554.db2.gz VQUUKSXBUJBJSK-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001024946485 1323795257 /nfs/dbraw/zinc/79/52/57/1323795257.db2.gz ONJUQXPRKCSAGR-FUHWJXTLSA-N 2 2 340.471 3.074 20 0 EGADLP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001026558996 1324895423 /nfs/dbraw/zinc/89/54/23/1324895423.db2.gz VEHFQAPCBNOXCI-JCYILVPMSA-N 2 2 344.503 3.037 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001026568344 1324901724 /nfs/dbraw/zinc/90/17/24/1324901724.db2.gz COCZCFKMGOTOLQ-GTPINHCMSA-N 2 2 340.471 3.039 20 0 EGADLP Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001026919339 1325082676 /nfs/dbraw/zinc/08/26/76/1325082676.db2.gz HPGOAPGBRDQRTH-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001026954527 1325104515 /nfs/dbraw/zinc/10/45/15/1325104515.db2.gz JBDPUCRNYDKNGX-IRXDYDNUSA-N 2 2 348.450 3.147 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320786 1325106774 /nfs/dbraw/zinc/10/67/74/1325106774.db2.gz BGYTWCMCMYNKSC-MSOLQXFVSA-N 2 2 346.519 3.040 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320786 1325106778 /nfs/dbraw/zinc/10/67/78/1325106778.db2.gz BGYTWCMCMYNKSC-MSOLQXFVSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]Cc3ccsc3)C2)c(C)[nH+]1 ZINC001026966180 1325112364 /nfs/dbraw/zinc/11/23/64/1325112364.db2.gz OBCAEMADOOKPEF-MRXNPFEDSA-N 2 2 343.496 3.320 20 0 EGADLP C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925419804 1325145784 /nfs/dbraw/zinc/14/57/84/1325145784.db2.gz DFOPMZXCKKXEAX-ACJLOTCBSA-N 2 2 334.410 3.411 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)ccc1Oc1cccnc1 ZINC000925570679 1325215615 /nfs/dbraw/zinc/21/56/15/1325215615.db2.gz XHCLWMIAEJJLEW-PQWXKCTQSA-N 2 2 339.414 3.099 20 0 EGADLP Cn1c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc2cc(Cl)ccc21 ZINC000925641787 1325243843 /nfs/dbraw/zinc/24/38/43/1325243843.db2.gz BPFZGCZSBFFAAU-JKSUJKDBSA-N 2 2 346.906 3.485 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(Cl)c1 ZINC000925794435 1325304220 /nfs/dbraw/zinc/30/42/20/1325304220.db2.gz LNMQYHXNZQQXTQ-OCCSQVGLSA-N 2 2 326.843 3.288 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925798994 1325305739 /nfs/dbraw/zinc/30/57/39/1325305739.db2.gz XOIGCICCYWXPJO-WMZOPIPTSA-N 2 2 332.488 3.285 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435281 1327675222 /nfs/dbraw/zinc/67/52/22/1327675222.db2.gz DELXQLTYARLMCV-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435281 1327675230 /nfs/dbraw/zinc/67/52/30/1327675230.db2.gz DELXQLTYARLMCV-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435281 1327675239 /nfs/dbraw/zinc/67/52/39/1327675239.db2.gz DELXQLTYARLMCV-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435281 1327675248 /nfs/dbraw/zinc/67/52/48/1327675248.db2.gz DELXQLTYARLMCV-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000926715875 1327680452 /nfs/dbraw/zinc/68/04/52/1327680452.db2.gz ZMQUQBJHSDOUSD-FTRWYGJKSA-N 2 2 349.494 3.101 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)n(C)n1 ZINC000926744647 1327695938 /nfs/dbraw/zinc/69/59/38/1327695938.db2.gz JFTHVVRTHUFWMA-FBBABVLZSA-N 2 2 344.547 3.436 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)n(C)n1 ZINC000926744647 1327695945 /nfs/dbraw/zinc/69/59/45/1327695945.db2.gz JFTHVVRTHUFWMA-FBBABVLZSA-N 2 2 344.547 3.436 20 0 EGADLP C[N@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027703358 1328117762 /nfs/dbraw/zinc/11/77/62/1328117762.db2.gz XIVVJKQOPBWLOX-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027703358 1328117766 /nfs/dbraw/zinc/11/77/66/1328117766.db2.gz XIVVJKQOPBWLOX-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027971157 1328444089 /nfs/dbraw/zinc/44/40/89/1328444089.db2.gz ZYXNTGDJFNLFAA-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027971157 1328444092 /nfs/dbraw/zinc/44/40/92/1328444092.db2.gz ZYXNTGDJFNLFAA-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP CCC[N@H+](C[C@@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185059 1329953274 /nfs/dbraw/zinc/95/32/74/1329953274.db2.gz HXSOQGFBSGWDSH-OAQYLSRUSA-N 2 2 348.531 3.149 20 0 EGADLP CCC[N@@H+](C[C@@H](O)COC(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185059 1329953276 /nfs/dbraw/zinc/95/32/76/1329953276.db2.gz HXSOQGFBSGWDSH-OAQYLSRUSA-N 2 2 348.531 3.149 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934419377 1329976977 /nfs/dbraw/zinc/97/69/77/1329976977.db2.gz SZSMRRKPIRYUAX-UHFFFAOYSA-N 2 2 331.847 3.440 20 0 EGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000866667040 1330139791 /nfs/dbraw/zinc/13/97/91/1330139791.db2.gz ZDIYRIVRUCENEL-HZPDHXFCSA-N 2 2 344.286 3.107 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803642 1332903106 /nfs/dbraw/zinc/90/31/06/1332903106.db2.gz OVOJDTWYXUEHRM-GBESFXJTSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803642 1332903110 /nfs/dbraw/zinc/90/31/10/1332903110.db2.gz OVOJDTWYXUEHRM-GBESFXJTSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315410 1333086228 /nfs/dbraw/zinc/08/62/28/1333086228.db2.gz SNAMPJGOINGJBL-YJBOKZPZSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315410 1333086230 /nfs/dbraw/zinc/08/62/30/1333086230.db2.gz SNAMPJGOINGJBL-YJBOKZPZSA-N 2 2 340.471 3.192 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947571461 1333176162 /nfs/dbraw/zinc/17/61/62/1333176162.db2.gz FILNMMXKTPLMPO-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947571461 1333176167 /nfs/dbraw/zinc/17/61/67/1333176167.db2.gz FILNMMXKTPLMPO-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948553918 1333572867 /nfs/dbraw/zinc/57/28/67/1333572867.db2.gz OGRFFNABYTVQTF-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948553918 1333572870 /nfs/dbraw/zinc/57/28/70/1333572870.db2.gz OGRFFNABYTVQTF-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766537 1333668774 /nfs/dbraw/zinc/66/87/74/1333668774.db2.gz KJFCUXQCYNNLPW-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766537 1333668776 /nfs/dbraw/zinc/66/87/76/1333668776.db2.gz KJFCUXQCYNNLPW-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC000948812099 1333692994 /nfs/dbraw/zinc/69/29/94/1333692994.db2.gz GGJMXXZIHDFTIK-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000948812099 1333692998 /nfs/dbraw/zinc/69/29/98/1333692998.db2.gz GGJMXXZIHDFTIK-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[C@@H](CC(=O)N1CC[NH+](CCC2CCCCCC2)CC1)n1cc[nH+]c1 ZINC000950962596 1334161457 /nfs/dbraw/zinc/16/14/57/1334161457.db2.gz SRGLUAMEOVYINB-SFHVURJKSA-N 2 2 346.519 3.339 20 0 EGADLP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859059 1336070813 /nfs/dbraw/zinc/07/08/13/1336070813.db2.gz LFZRDGOSONQZHA-GOSISDBHSA-N 2 2 342.487 3.417 20 0 EGADLP CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859059 1336070815 /nfs/dbraw/zinc/07/08/15/1336070815.db2.gz LFZRDGOSONQZHA-GOSISDBHSA-N 2 2 342.487 3.417 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318506 1370719581 /nfs/dbraw/zinc/71/95/81/1370719581.db2.gz VJAPDRZAGLZYSM-PWSUYJOCSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205318506 1370719582 /nfs/dbraw/zinc/71/95/82/1370719582.db2.gz VJAPDRZAGLZYSM-PWSUYJOCSA-N 2 2 329.257 3.313 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCCC2CCC2)C1 ZINC000969971857 1336268212 /nfs/dbraw/zinc/26/82/12/1336268212.db2.gz DPFWFNPTXKGHKC-AWEZNQCLSA-N 2 2 340.471 3.193 20 0 EGADLP CCC(CC)C[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001005712326 1336396374 /nfs/dbraw/zinc/39/63/74/1336396374.db2.gz IXJYGTLZEFHFPK-UHFFFAOYSA-N 2 2 342.487 3.307 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001007593116 1336672925 /nfs/dbraw/zinc/67/29/25/1336672925.db2.gz CPVBHDSBFAIDSO-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001007593116 1336672928 /nfs/dbraw/zinc/67/29/28/1336672928.db2.gz CPVBHDSBFAIDSO-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642761 1336682090 /nfs/dbraw/zinc/68/20/90/1336682090.db2.gz VICBIIPPANMCFG-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642761 1336682093 /nfs/dbraw/zinc/68/20/93/1336682093.db2.gz VICBIIPPANMCFG-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523777 1337033356 /nfs/dbraw/zinc/03/33/56/1337033356.db2.gz LZYYVCUPPBLARH-MAUKXSAKSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523777 1337033360 /nfs/dbraw/zinc/03/33/60/1337033360.db2.gz LZYYVCUPPBLARH-MAUKXSAKSA-N 2 2 349.906 3.077 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001017254312 1338984698 /nfs/dbraw/zinc/98/46/98/1338984698.db2.gz QTUMJIBOIQTXKQ-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001017254312 1338984700 /nfs/dbraw/zinc/98/47/00/1338984700.db2.gz QTUMJIBOIQTXKQ-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP C[N@H+](C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001029723544 1341054467 /nfs/dbraw/zinc/05/44/67/1341054467.db2.gz PMWHJYZTJNINBG-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001029723544 1341054469 /nfs/dbraw/zinc/05/44/69/1341054469.db2.gz PMWHJYZTJNINBG-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CC1CCC(C[NH+]2CC(NC(=O)c3sccc3C[NH+](C)C)C2)CC1 ZINC001030389276 1341184170 /nfs/dbraw/zinc/18/41/70/1341184170.db2.gz WXGNDDCANAWSEY-UHFFFAOYSA-N 2 2 349.544 3.050 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1 ZINC001030959166 1341256218 /nfs/dbraw/zinc/25/62/18/1341256218.db2.gz DSEONFIITVCJQD-IRXDYDNUSA-N 2 2 343.515 3.013 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1 ZINC001030959166 1341256220 /nfs/dbraw/zinc/25/62/20/1341256220.db2.gz DSEONFIITVCJQD-IRXDYDNUSA-N 2 2 343.515 3.013 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050863 1341270248 /nfs/dbraw/zinc/27/02/48/1341270248.db2.gz ZULLCTOADWUJCT-XLIONFOSSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050863 1341270251 /nfs/dbraw/zinc/27/02/51/1341270251.db2.gz ZULLCTOADWUJCT-XLIONFOSSA-N 2 2 343.515 3.119 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)n1cc[nH+]c1 ZINC001032656828 1341572476 /nfs/dbraw/zinc/57/24/76/1341572476.db2.gz NUVVXPJOASLJDU-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)n1cc[nH+]c1 ZINC001032656828 1341572477 /nfs/dbraw/zinc/57/24/77/1341572477.db2.gz NUVVXPJOASLJDU-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001033192758 1341748652 /nfs/dbraw/zinc/74/86/52/1341748652.db2.gz PZCYCUUARSEFII-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001033192758 1341748655 /nfs/dbraw/zinc/74/86/55/1341748655.db2.gz PZCYCUUARSEFII-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036314099 1343414633 /nfs/dbraw/zinc/41/46/33/1343414633.db2.gz MJWHLIPMPNMJTK-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001036449404 1343494361 /nfs/dbraw/zinc/49/43/61/1343494361.db2.gz FYUNRNAUHNSUGY-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001036452700 1343495413 /nfs/dbraw/zinc/49/54/13/1343495413.db2.gz ADABCFGJZIYHAU-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1C/C=C\c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416872 1344419351 /nfs/dbraw/zinc/41/93/51/1344419351.db2.gz PWHWYAWLEVRUBC-GINYUPMKSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1C/C=C\c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416872 1344419354 /nfs/dbraw/zinc/41/93/54/1344419354.db2.gz PWHWYAWLEVRUBC-GINYUPMKSA-N 2 2 346.434 3.080 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556409 1344483156 /nfs/dbraw/zinc/48/31/56/1344483156.db2.gz FWJGGSNMECVCBH-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556409 1344483157 /nfs/dbraw/zinc/48/31/57/1344483157.db2.gz FWJGGSNMECVCBH-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161723 1344847087 /nfs/dbraw/zinc/84/70/87/1344847087.db2.gz MRBMIUNEMXVVES-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161723 1344847091 /nfs/dbraw/zinc/84/70/91/1344847091.db2.gz MRBMIUNEMXVVES-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@H+](CC1CC1)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001039487352 1345106321 /nfs/dbraw/zinc/10/63/21/1345106321.db2.gz KQXZZOSWHHLSLF-UHFFFAOYSA-N 2 2 329.488 3.343 20 0 EGADLP CC[N@@H+](CC1CC1)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001039487352 1345106324 /nfs/dbraw/zinc/10/63/24/1345106324.db2.gz KQXZZOSWHHLSLF-UHFFFAOYSA-N 2 2 329.488 3.343 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116092 1345948791 /nfs/dbraw/zinc/94/87/91/1345948791.db2.gz HESVJANNCKXSQO-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116092 1345948792 /nfs/dbraw/zinc/94/87/92/1345948792.db2.gz HESVJANNCKXSQO-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043092783 1346139401 /nfs/dbraw/zinc/13/94/01/1346139401.db2.gz ZFDCQYULQHYJRZ-HNNXBMFYSA-N 2 2 348.450 3.389 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044810024 1346432483 /nfs/dbraw/zinc/43/24/83/1346432483.db2.gz SPTPOURDFXOCQF-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)c1c[nH+]c[nH]1 ZINC001045273597 1346545339 /nfs/dbraw/zinc/54/53/39/1346545339.db2.gz PRRKNJIACHSWHT-KRWDZBQOSA-N 2 2 346.519 3.238 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980466 1346817473 /nfs/dbraw/zinc/81/74/73/1346817473.db2.gz ZMRAANMZZWLFOM-HXUWFJFHSA-N 2 2 346.519 3.192 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980466 1346817474 /nfs/dbraw/zinc/81/74/74/1346817474.db2.gz ZMRAANMZZWLFOM-HXUWFJFHSA-N 2 2 346.519 3.192 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419968 1346969955 /nfs/dbraw/zinc/96/99/55/1346969955.db2.gz BKQVFIYGXWMBJN-LJQANCHMSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046419968 1346969956 /nfs/dbraw/zinc/96/99/56/1346969956.db2.gz BKQVFIYGXWMBJN-LJQANCHMSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047883169 1347398389 /nfs/dbraw/zinc/39/83/89/1347398389.db2.gz XFMYSATVOBZWNK-DOTOQJQBSA-N 2 2 348.450 3.203 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001048319752 1347517488 /nfs/dbraw/zinc/51/74/88/1347517488.db2.gz BCQHCLRBYZHVTL-KDOFPFPSSA-N 2 2 329.488 3.105 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCC(C)C)c[nH+]1 ZINC001049544643 1347900018 /nfs/dbraw/zinc/90/00/18/1347900018.db2.gz FFKJNQGYQAPMDE-MSOLQXFVSA-N 2 2 346.519 3.038 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC(C)C)c[nH+]1 ZINC001049544643 1347900019 /nfs/dbraw/zinc/90/00/19/1347900019.db2.gz FFKJNQGYQAPMDE-MSOLQXFVSA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001050731955 1348340617 /nfs/dbraw/zinc/34/06/17/1348340617.db2.gz XJAWLJOYGPEOHK-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104056 1348938581 /nfs/dbraw/zinc/93/85/81/1348938581.db2.gz MWGNAZVXWPSZJU-ROUUACIJSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104056 1348938583 /nfs/dbraw/zinc/93/85/83/1348938583.db2.gz MWGNAZVXWPSZJU-ROUUACIJSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962595 1357440413 /nfs/dbraw/zinc/44/04/13/1357440413.db2.gz SBDCHRVCKZRJSU-STXHMFSFSA-N 2 2 348.450 3.374 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962595 1357440417 /nfs/dbraw/zinc/44/04/17/1357440417.db2.gz SBDCHRVCKZRJSU-STXHMFSFSA-N 2 2 348.450 3.374 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C)[N@@H+](CC4CCC4)C3)ccn12 ZINC001071511733 1354735387 /nfs/dbraw/zinc/73/53/87/1354735387.db2.gz PBKSCFLHJBWTPR-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C)[N@H+](CC4CCC4)C3)ccn12 ZINC001071511733 1354735389 /nfs/dbraw/zinc/73/53/89/1354735389.db2.gz PBKSCFLHJBWTPR-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC001089265208 1360291692 /nfs/dbraw/zinc/29/16/92/1360291692.db2.gz UMEFGFBBVMSQLJ-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC001089265208 1360291695 /nfs/dbraw/zinc/29/16/95/1360291695.db2.gz UMEFGFBBVMSQLJ-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496253 1387313266 /nfs/dbraw/zinc/31/32/66/1387313266.db2.gz MAEZTTLSZZBGGN-LXORQPIJSA-N 2 2 346.519 3.407 20 0 EGADLP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086401750 1359087901 /nfs/dbraw/zinc/08/79/01/1359087901.db2.gz RNEWCPXBPUIJGX-JCNLHEQBSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001086427513 1359094312 /nfs/dbraw/zinc/09/43/12/1359094312.db2.gz VAOILJDQEFVXOW-JFIYKMOQSA-N 2 2 348.450 3.194 20 0 EGADLP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001087232217 1359327467 /nfs/dbraw/zinc/32/74/67/1359327467.db2.gz IZSBGBLKEVPLBL-APWZRJJASA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+]1CCC(C)(C)C ZINC001087720194 1359610886 /nfs/dbraw/zinc/61/08/86/1359610886.db2.gz HWADGRQBRDCGMO-YQQAZPJKSA-N 2 2 346.519 3.235 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@H+]1CCC(C)(C)C ZINC001087720194 1359610887 /nfs/dbraw/zinc/61/08/87/1359610887.db2.gz HWADGRQBRDCGMO-YQQAZPJKSA-N 2 2 346.519 3.235 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001088346206 1359833683 /nfs/dbraw/zinc/83/36/83/1359833683.db2.gz JHCNYDYVLZTUJV-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001089246329 1360280243 /nfs/dbraw/zinc/28/02/43/1360280243.db2.gz DVHLWRFNRJUFEQ-IBGZPJMESA-N 2 2 340.471 3.207 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001089246329 1360280246 /nfs/dbraw/zinc/28/02/46/1360280246.db2.gz DVHLWRFNRJUFEQ-IBGZPJMESA-N 2 2 340.471 3.207 20 0 EGADLP O=C(NCC1CC([NH2+]CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001091097964 1360991783 /nfs/dbraw/zinc/99/17/83/1360991783.db2.gz AKMJQKYWRZVGDQ-UHFFFAOYSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184904318 1387559805 /nfs/dbraw/zinc/55/98/05/1387559805.db2.gz QKIKEIWICQQNMZ-ROUUACIJSA-N 2 2 348.535 3.174 20 0 EGADLP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001098814395 1363479221 /nfs/dbraw/zinc/47/92/21/1363479221.db2.gz PNBULOLITXXYHZ-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001098820213 1363481785 /nfs/dbraw/zinc/48/17/85/1363481785.db2.gz GOAKLXBRILGFDO-QFBILLFUSA-N 2 2 346.519 3.058 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[N@H+](CC2CCCC2)C1 ZINC001099048329 1363593793 /nfs/dbraw/zinc/59/37/93/1363593793.db2.gz FIZOWCJAZOMHGY-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[N@@H+](CC2CCCC2)C1 ZINC001099048329 1363593797 /nfs/dbraw/zinc/59/37/97/1363593797.db2.gz FIZOWCJAZOMHGY-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309846 1363742520 /nfs/dbraw/zinc/74/25/20/1363742520.db2.gz GBYPDMQXQKEDJZ-QGZVFWFLSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309846 1363742523 /nfs/dbraw/zinc/74/25/23/1363742523.db2.gz GBYPDMQXQKEDJZ-QGZVFWFLSA-N 2 2 348.535 3.006 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099310596 1363743633 /nfs/dbraw/zinc/74/36/33/1363743633.db2.gz QPRPIUGHLBKODX-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099310596 1363743636 /nfs/dbraw/zinc/74/36/36/1363743636.db2.gz QPRPIUGHLBKODX-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099324515 1363751323 /nfs/dbraw/zinc/75/13/23/1363751323.db2.gz NKXCXBHJKRRSJW-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099324515 1363751326 /nfs/dbraw/zinc/75/13/26/1363751326.db2.gz NKXCXBHJKRRSJW-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099358700 1363771443 /nfs/dbraw/zinc/77/14/43/1363771443.db2.gz JZEQNYQLHJVWNH-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099358700 1363771449 /nfs/dbraw/zinc/77/14/49/1363771449.db2.gz JZEQNYQLHJVWNH-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100427757 1364109841 /nfs/dbraw/zinc/10/98/41/1364109841.db2.gz GPZUMHCTBSRANR-JVSUKQCGSA-N 2 2 346.519 3.311 20 0 EGADLP CC[C@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001101560402 1364620008 /nfs/dbraw/zinc/62/00/08/1364620008.db2.gz ZERVMMYLIZVYJR-KRWDZBQOSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101592294 1364643834 /nfs/dbraw/zinc/64/38/34/1364643834.db2.gz WRNDKZYWQFKNCQ-UHFFFAOYSA-N 2 2 346.519 3.081 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001102414797 1365045402 /nfs/dbraw/zinc/04/54/02/1365045402.db2.gz ONQHYTVLBDQNCG-FGTMMUONSA-N 2 2 348.535 3.345 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001102414797 1365045405 /nfs/dbraw/zinc/04/54/05/1365045405.db2.gz ONQHYTVLBDQNCG-FGTMMUONSA-N 2 2 348.535 3.345 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454880 1365065081 /nfs/dbraw/zinc/06/50/81/1365065081.db2.gz XADYVCIBISINSO-BFQLNGAHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454880 1365065087 /nfs/dbraw/zinc/06/50/87/1365065087.db2.gz XADYVCIBISINSO-BFQLNGAHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454880 1365065090 /nfs/dbraw/zinc/06/50/90/1365065090.db2.gz XADYVCIBISINSO-BFQLNGAHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454880 1365065097 /nfs/dbraw/zinc/06/50/97/1365065097.db2.gz XADYVCIBISINSO-BFQLNGAHSA-N 2 2 346.519 3.019 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001185490774 1387730175 /nfs/dbraw/zinc/73/01/75/1387730175.db2.gz CAYCPGUTHZZTAD-HZPDHXFCSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103071041 1365363850 /nfs/dbraw/zinc/36/38/50/1365363850.db2.gz ZKODHJKXKKXVTO-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103071041 1365363852 /nfs/dbraw/zinc/36/38/52/1365363852.db2.gz ZKODHJKXKKXVTO-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103071041 1365363853 /nfs/dbraw/zinc/36/38/53/1365363853.db2.gz ZKODHJKXKKXVTO-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103071041 1365363856 /nfs/dbraw/zinc/36/38/56/1365363856.db2.gz ZKODHJKXKKXVTO-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479553 1365587550 /nfs/dbraw/zinc/58/75/50/1365587550.db2.gz OVIAWIHHODCKST-RTLRUIJZSA-N 2 2 346.519 3.265 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479553 1365587556 /nfs/dbraw/zinc/58/75/56/1365587556.db2.gz OVIAWIHHODCKST-RTLRUIJZSA-N 2 2 346.519 3.265 20 0 EGADLP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)CC1 ZINC001324761557 1387762175 /nfs/dbraw/zinc/76/21/75/1387762175.db2.gz WMPAVQJGCMKBFY-FQEVSTJZSA-N 2 2 339.483 3.194 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185787339 1387799054 /nfs/dbraw/zinc/79/90/54/1387799054.db2.gz FKILTUHQMOGVAO-HKVCONOFSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566800 1366535287 /nfs/dbraw/zinc/53/52/87/1366535287.db2.gz VPRUVIAEXVIWDH-ZWKOTPCHSA-N 2 2 346.519 3.384 20 0 EGADLP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584479 1366543857 /nfs/dbraw/zinc/54/38/57/1366543857.db2.gz HCLPLCKRHXUVAH-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710603 1366778107 /nfs/dbraw/zinc/77/81/07/1366778107.db2.gz NKZPTGKRGKSSCC-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106748352 1366787649 /nfs/dbraw/zinc/78/76/49/1366787649.db2.gz VFOIAZYFYKTUBI-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106748352 1366787651 /nfs/dbraw/zinc/78/76/51/1366787651.db2.gz VFOIAZYFYKTUBI-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107075674 1366871056 /nfs/dbraw/zinc/87/10/56/1366871056.db2.gz AQHVWUDKNGDYKF-GUDVDZBRSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)(C)CC[N@@H+]1C2CCC1C(NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148106 1367526048 /nfs/dbraw/zinc/52/60/48/1367526048.db2.gz JJYBUVXKALAORA-SQNIBIBYSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC[N@H+]1C2CCC1C(NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148106 1367526050 /nfs/dbraw/zinc/52/60/50/1367526050.db2.gz JJYBUVXKALAORA-SQNIBIBYSA-N 2 2 335.536 3.020 20 0 EGADLP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587232 1367535753 /nfs/dbraw/zinc/53/57/53/1367535753.db2.gz SKJXKJCHOHUSPV-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587232 1367535766 /nfs/dbraw/zinc/53/57/66/1367535766.db2.gz SKJXKJCHOHUSPV-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587142 1367536277 /nfs/dbraw/zinc/53/62/77/1367536277.db2.gz QMLVTSJUTJSORU-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587142 1367536281 /nfs/dbraw/zinc/53/62/81/1367536281.db2.gz QMLVTSJUTJSORU-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCC(=O)C(C)(C)C ZINC001325166841 1387910027 /nfs/dbraw/zinc/91/00/27/1387910027.db2.gz UUCAUQLNILKYMN-UHFFFAOYSA-N 2 2 328.416 3.300 20 0 EGADLP CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537747 1368918805 /nfs/dbraw/zinc/91/88/05/1368918805.db2.gz WZYWZFIYKHQMJW-HBFSDRIKSA-N 2 2 346.519 3.099 20 0 EGADLP CCC(CC)C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182634 1369491771 /nfs/dbraw/zinc/49/17/71/1369491771.db2.gz LQTBBYYMVQPRLA-LJQANCHMSA-N 2 2 348.535 3.487 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564812 1369577761 /nfs/dbraw/zinc/57/77/61/1369577761.db2.gz CRAVKURICLYLSA-MISYRCLQSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564812 1369577764 /nfs/dbraw/zinc/57/77/64/1369577764.db2.gz CRAVKURICLYLSA-MISYRCLQSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564812 1369577766 /nfs/dbraw/zinc/57/77/66/1369577766.db2.gz CRAVKURICLYLSA-MISYRCLQSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564812 1369577770 /nfs/dbraw/zinc/57/77/70/1369577770.db2.gz CRAVKURICLYLSA-MISYRCLQSA-N 2 2 332.536 3.390 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001113724334 1369586635 /nfs/dbraw/zinc/58/66/35/1369586635.db2.gz XBSLVEOYFKTZKW-RTBURBONSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc3cnccn23)c(C)c1 ZINC001201601133 1369586891 /nfs/dbraw/zinc/58/68/91/1369586891.db2.gz STFRZAZMBFQFAC-IBGZPJMESA-N 2 2 346.438 3.074 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001113724333 1369586931 /nfs/dbraw/zinc/58/69/31/1369586931.db2.gz XBSLVEOYFKTZKW-RBUKOAKNSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC001201920020 1369642531 /nfs/dbraw/zinc/64/25/31/1369642531.db2.gz LTAGANFULOROFS-CQSZACIVSA-N 2 2 346.500 3.172 20 0 EGADLP C[C@H]1CC[C@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)O1 ZINC001202690721 1369852788 /nfs/dbraw/zinc/85/27/88/1369852788.db2.gz CLFTXIKCPJNKMX-GOEBONIOSA-N 2 2 349.862 3.273 20 0 EGADLP CCCCn1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(C)n1 ZINC001325693639 1388032217 /nfs/dbraw/zinc/03/22/17/1388032217.db2.gz MTMAUHYGJDNURE-UHFFFAOYSA-N 2 2 338.415 3.133 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(OC)c1 ZINC001203484427 1370142432 /nfs/dbraw/zinc/14/24/32/1370142432.db2.gz NGCUDDJZLBRZGO-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(OC)c1 ZINC001203484427 1370142433 /nfs/dbraw/zinc/14/24/33/1370142433.db2.gz NGCUDDJZLBRZGO-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001203537216 1370159824 /nfs/dbraw/zinc/15/98/24/1370159824.db2.gz SRCTWXZZTVZECR-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814561 1370274343 /nfs/dbraw/zinc/27/43/43/1370274343.db2.gz KUCGEZSOKXUXST-ROUUACIJSA-N 2 2 346.519 3.117 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813869 1370274495 /nfs/dbraw/zinc/27/44/95/1370274495.db2.gz FQNXSZNFPFKWFD-ZGQVYYGYSA-N 2 2 344.503 3.037 20 0 EGADLP CC[NH+](CC)CCN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC001203883192 1370297960 /nfs/dbraw/zinc/29/79/60/1370297960.db2.gz FRXOCUGGVPHJSX-UHFFFAOYSA-N 2 2 343.437 3.165 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)c1 ZINC001204292363 1370434037 /nfs/dbraw/zinc/43/40/37/1370434037.db2.gz ARNLYQSODNBMQC-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115510504 1370509412 /nfs/dbraw/zinc/50/94/12/1370509412.db2.gz VBTMSTKRRDPORT-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CC[NH3+])C2)c(OCc2ccccc2)c1 ZINC001204755328 1370567490 /nfs/dbraw/zinc/56/74/90/1370567490.db2.gz GNJLRURYHJTSRW-FQEVSTJZSA-N 2 2 340.467 3.124 20 0 EGADLP Cc1ccc(C[N@H+]2CCO[C@@H](CC[NH3+])C2)c(OCc2ccccc2)c1 ZINC001204755328 1370567494 /nfs/dbraw/zinc/56/74/94/1370567494.db2.gz GNJLRURYHJTSRW-FQEVSTJZSA-N 2 2 340.467 3.124 20 0 EGADLP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc3ccccc3c2Br)CCO1 ZINC001204756163 1370568115 /nfs/dbraw/zinc/56/81/15/1370568115.db2.gz MCSMSFCYLRJNHB-OAHLLOKOSA-N 2 2 349.272 3.152 20 0 EGADLP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2Br)CCO1 ZINC001204756163 1370568117 /nfs/dbraw/zinc/56/81/17/1370568117.db2.gz MCSMSFCYLRJNHB-OAHLLOKOSA-N 2 2 349.272 3.152 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204885108 1370596325 /nfs/dbraw/zinc/59/63/25/1370596325.db2.gz IOLFTJNWCJKYOC-KRWDZBQOSA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204885108 1370596329 /nfs/dbraw/zinc/59/63/29/1370596329.db2.gz IOLFTJNWCJKYOC-KRWDZBQOSA-N 2 2 325.456 3.386 20 0 EGADLP CCc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205018370 1370629646 /nfs/dbraw/zinc/62/96/46/1370629646.db2.gz UDASKUFIHQBLDN-ZDUSSCGKSA-N 2 2 325.294 3.443 20 0 EGADLP CCc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205018370 1370629655 /nfs/dbraw/zinc/62/96/55/1370629655.db2.gz UDASKUFIHQBLDN-ZDUSSCGKSA-N 2 2 325.294 3.443 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)[nH]1 ZINC001205273548 1370702998 /nfs/dbraw/zinc/70/29/98/1370702998.db2.gz FJAVWBYQPHLWAU-ROUUACIJSA-N 2 2 332.451 3.127 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205297028 1370711280 /nfs/dbraw/zinc/71/12/80/1370711280.db2.gz XCUSUXOKXSIJRP-INIZCTEOSA-N 2 2 341.293 3.469 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205297028 1370711275 /nfs/dbraw/zinc/71/12/75/1370711275.db2.gz XCUSUXOKXSIJRP-INIZCTEOSA-N 2 2 341.293 3.469 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1)n1cc[nH+]c1 ZINC001115752774 1370734734 /nfs/dbraw/zinc/73/47/34/1370734734.db2.gz USKSBFRJVZPCKA-MRXNPFEDSA-N 2 2 332.492 3.043 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115765982 1370751116 /nfs/dbraw/zinc/75/11/16/1370751116.db2.gz OJIVUKDRSIOTOY-MRXNPFEDSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115765982 1370751119 /nfs/dbraw/zinc/75/11/19/1370751119.db2.gz OJIVUKDRSIOTOY-MRXNPFEDSA-N 2 2 348.535 3.433 20 0 EGADLP CCCC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500274 1370773295 /nfs/dbraw/zinc/77/32/95/1370773295.db2.gz OWPLXZBJEYRVPL-GOSISDBHSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC001205650871 1370827536 /nfs/dbraw/zinc/82/75/36/1370827536.db2.gz WEFHLXULRAWQPH-DNVCBOLYSA-N 2 2 332.488 3.446 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001205650871 1370827540 /nfs/dbraw/zinc/82/75/40/1370827540.db2.gz WEFHLXULRAWQPH-DNVCBOLYSA-N 2 2 332.488 3.446 20 0 EGADLP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001116296709 1370880208 /nfs/dbraw/zinc/88/02/08/1370880208.db2.gz ZNAKWRGVECFHRP-NHCUHLMSSA-N 2 2 344.547 3.184 20 0 EGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828491 1370885271 /nfs/dbraw/zinc/88/52/71/1370885271.db2.gz LOJJXKWZPCTSDI-YPMHNXCESA-N 2 2 334.357 3.483 20 0 EGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828491 1370885276 /nfs/dbraw/zinc/88/52/76/1370885276.db2.gz LOJJXKWZPCTSDI-YPMHNXCESA-N 2 2 334.357 3.483 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205854380 1370892715 /nfs/dbraw/zinc/89/27/15/1370892715.db2.gz KJAZBJURMHJDCM-CRAIPNDOSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205854380 1370892721 /nfs/dbraw/zinc/89/27/21/1370892721.db2.gz KJAZBJURMHJDCM-CRAIPNDOSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205855605 1370893525 /nfs/dbraw/zinc/89/35/25/1370893525.db2.gz OESHKIQKQGSPDD-GOEBONIOSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205855605 1370893527 /nfs/dbraw/zinc/89/35/27/1370893527.db2.gz OESHKIQKQGSPDD-GOEBONIOSA-N 2 2 328.456 3.416 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205912908 1370908297 /nfs/dbraw/zinc/90/82/97/1370908297.db2.gz DUZYLZYBBGKCPD-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205912908 1370908301 /nfs/dbraw/zinc/90/83/01/1370908301.db2.gz DUZYLZYBBGKCPD-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205917447 1370910241 /nfs/dbraw/zinc/91/02/41/1370910241.db2.gz YRTZYSQNVLNCOD-OLZOCXBDSA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205917447 1370910246 /nfs/dbraw/zinc/91/02/46/1370910246.db2.gz YRTZYSQNVLNCOD-OLZOCXBDSA-N 2 2 338.546 3.456 20 0 EGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001205939537 1370918097 /nfs/dbraw/zinc/91/80/97/1370918097.db2.gz RDLYMKXPEZRMHY-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001205939537 1370918092 /nfs/dbraw/zinc/91/80/92/1370918092.db2.gz RDLYMKXPEZRMHY-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@@H]1F ZINC001206164610 1370977188 /nfs/dbraw/zinc/97/71/88/1370977188.db2.gz KXSGOEAJZHPEHP-UONOGXRCSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@@H]1F ZINC001206164610 1370977193 /nfs/dbraw/zinc/97/71/93/1370977193.db2.gz KXSGOEAJZHPEHP-UONOGXRCSA-N 2 2 340.240 3.192 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)n2)CC1 ZINC001116825324 1370981915 /nfs/dbraw/zinc/98/19/15/1370981915.db2.gz GWBGAYJRUADZKY-UHFFFAOYSA-N 2 2 345.409 3.375 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001206209416 1370993586 /nfs/dbraw/zinc/99/35/86/1370993586.db2.gz FGUDLRGDWRRPAL-CABCVRRESA-N 2 2 334.357 3.365 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc(C(F)(F)F)c1 ZINC001206209416 1370993590 /nfs/dbraw/zinc/99/35/90/1370993590.db2.gz FGUDLRGDWRRPAL-CABCVRRESA-N 2 2 334.357 3.365 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206344935 1371028705 /nfs/dbraw/zinc/02/87/05/1371028705.db2.gz YFJIPNIIWHKBJH-HXUWFJFHSA-N 2 2 344.478 3.201 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206344935 1371028710 /nfs/dbraw/zinc/02/87/10/1371028710.db2.gz YFJIPNIIWHKBJH-HXUWFJFHSA-N 2 2 344.478 3.201 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cc2[nH]ccc2c(C)[nH+]1 ZINC001206491531 1371071224 /nfs/dbraw/zinc/07/12/24/1371071224.db2.gz YOIOKNWYWRVEFG-UHFFFAOYSA-N 2 2 337.423 3.379 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001206532868 1371085468 /nfs/dbraw/zinc/08/54/68/1371085468.db2.gz MIANDVOJYAPPQS-FQEVSTJZSA-N 2 2 338.451 3.140 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206633573 1371115567 /nfs/dbraw/zinc/11/55/67/1371115567.db2.gz YHULTJCYAZUURW-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206633573 1371115571 /nfs/dbraw/zinc/11/55/71/1371115571.db2.gz YHULTJCYAZUURW-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001206671200 1371128449 /nfs/dbraw/zinc/12/84/49/1371128449.db2.gz LGHHNXDTNFZDGY-IBGZPJMESA-N 2 2 341.430 3.144 20 0 EGADLP C[NH+](C)Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2F)c1 ZINC001206712676 1371143007 /nfs/dbraw/zinc/14/30/07/1371143007.db2.gz ZIOGFXCMMLMBEV-UHFFFAOYSA-N 2 2 328.431 3.387 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207126891 1371302165 /nfs/dbraw/zinc/30/21/65/1371302165.db2.gz QCNZTXLQQWZJQH-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207126891 1371302168 /nfs/dbraw/zinc/30/21/68/1371302168.db2.gz QCNZTXLQQWZJQH-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP Cc1[nH+]cc2n1CC[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001207216348 1371331830 /nfs/dbraw/zinc/33/18/30/1371331830.db2.gz DOXOSTMXWUSPLR-UHFFFAOYSA-N 2 2 348.491 3.044 20 0 EGADLP Cc1[nH+]cc2n1CC[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001207216348 1371331834 /nfs/dbraw/zinc/33/18/34/1371331834.db2.gz DOXOSTMXWUSPLR-UHFFFAOYSA-N 2 2 348.491 3.044 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC001207355074 1371371824 /nfs/dbraw/zinc/37/18/24/1371371824.db2.gz PNTKCHLKYUEZAY-INIZCTEOSA-N 2 2 348.535 3.089 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC001207355074 1371371828 /nfs/dbraw/zinc/37/18/28/1371371828.db2.gz PNTKCHLKYUEZAY-INIZCTEOSA-N 2 2 348.535 3.089 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207422694 1371390607 /nfs/dbraw/zinc/39/06/07/1371390607.db2.gz VQENQCAQFTWZAS-OALUTQOASA-N 2 2 341.886 3.341 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207660061 1371467119 /nfs/dbraw/zinc/46/71/19/1371467119.db2.gz ZPTJMWGGBYEULZ-QRQLOZEOSA-N 2 2 348.535 3.343 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207660061 1371467122 /nfs/dbraw/zinc/46/71/22/1371467122.db2.gz ZPTJMWGGBYEULZ-QRQLOZEOSA-N 2 2 348.535 3.343 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCCC1 ZINC001120068166 1371476163 /nfs/dbraw/zinc/47/61/63/1371476163.db2.gz FGMULUKCNPENAJ-MRXNPFEDSA-N 2 2 348.535 3.352 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050556 1371581043 /nfs/dbraw/zinc/58/10/43/1371581043.db2.gz ZVQIREAUFGOHQM-PYTPGESOSA-N 2 2 340.471 3.193 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145334 1371609115 /nfs/dbraw/zinc/60/91/15/1371609115.db2.gz UWEBQKZPTKBRNT-ILXRZTDVSA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145334 1371609116 /nfs/dbraw/zinc/60/91/16/1371609116.db2.gz UWEBQKZPTKBRNT-ILXRZTDVSA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208145334 1371609118 /nfs/dbraw/zinc/60/91/18/1371609118.db2.gz UWEBQKZPTKBRNT-ILXRZTDVSA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208145334 1371609120 /nfs/dbraw/zinc/60/91/20/1371609120.db2.gz UWEBQKZPTKBRNT-ILXRZTDVSA-N 2 2 325.547 3.181 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176266 1371620288 /nfs/dbraw/zinc/62/02/88/1371620288.db2.gz PZWCGMRAMXQXEH-OYNPSCLESA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176266 1371620289 /nfs/dbraw/zinc/62/02/89/1371620289.db2.gz PZWCGMRAMXQXEH-OYNPSCLESA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176266 1371620294 /nfs/dbraw/zinc/62/02/94/1371620294.db2.gz PZWCGMRAMXQXEH-OYNPSCLESA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176266 1371620295 /nfs/dbraw/zinc/62/02/95/1371620295.db2.gz PZWCGMRAMXQXEH-OYNPSCLESA-N 2 2 342.531 3.166 20 0 EGADLP C[NH+](C)CC1(CN2CC[NH+](Cc3ccc(F)cc3)CC2)CCCC1 ZINC001208181932 1371624805 /nfs/dbraw/zinc/62/48/05/1371624805.db2.gz BDOZLDAQTIZBFA-UHFFFAOYSA-N 2 2 333.495 3.065 20 0 EGADLP C[NH+](C)CC1(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)CCCC1 ZINC001208181932 1371624830 /nfs/dbraw/zinc/62/48/30/1371624830.db2.gz BDOZLDAQTIZBFA-UHFFFAOYSA-N 2 2 333.495 3.065 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(F)c1)[C@H]2C ZINC001208197396 1371638577 /nfs/dbraw/zinc/63/85/77/1371638577.db2.gz QIIKGQKEUDPAHW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(F)c1)[C@H]2C ZINC001208197396 1371638615 /nfs/dbraw/zinc/63/86/15/1371638615.db2.gz QIIKGQKEUDPAHW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cccc(F)c1)[C@H]2C ZINC001208197396 1371638651 /nfs/dbraw/zinc/63/86/51/1371638651.db2.gz QIIKGQKEUDPAHW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cccc(F)c1)[C@H]2C ZINC001208197396 1371638657 /nfs/dbraw/zinc/63/86/57/1371638657.db2.gz QIIKGQKEUDPAHW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP c1cn(C2CC[NH+](CC3(c4ccccc4)CCOCC3)CC2)c[nH+]1 ZINC001208237588 1371672804 /nfs/dbraw/zinc/67/28/04/1371672804.db2.gz PXFUOBSODQBROT-UHFFFAOYSA-N 2 2 325.456 3.268 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208740621 1371880624 /nfs/dbraw/zinc/88/06/24/1371880624.db2.gz PZXOKXBQZCQUMY-QZTJIDSGSA-N 2 2 341.886 3.341 20 0 EGADLP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1c(F)cccc1F ZINC001326357323 1388165533 /nfs/dbraw/zinc/16/55/33/1388165533.db2.gz WZCAELCKZJGUFP-SFHVURJKSA-N 2 2 345.393 3.199 20 0 EGADLP c1nc2c(s1)C[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208940219 1371955139 /nfs/dbraw/zinc/95/51/39/1371955139.db2.gz QHSISPRVCUGGSO-QGZVFWFLSA-N 2 2 327.497 3.413 20 0 EGADLP c1nc2c(s1)C[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208940219 1371955142 /nfs/dbraw/zinc/95/51/42/1371955142.db2.gz QHSISPRVCUGGSO-QGZVFWFLSA-N 2 2 327.497 3.413 20 0 EGADLP c1nc2c(s1)C[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208940219 1371955146 /nfs/dbraw/zinc/95/51/46/1371955146.db2.gz QHSISPRVCUGGSO-QGZVFWFLSA-N 2 2 327.497 3.413 20 0 EGADLP c1nc2c(s1)C[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208940219 1371955148 /nfs/dbraw/zinc/95/51/48/1371955148.db2.gz QHSISPRVCUGGSO-QGZVFWFLSA-N 2 2 327.497 3.413 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985262 1371968511 /nfs/dbraw/zinc/96/85/11/1371968511.db2.gz OTXQOFDMZWVYFJ-YQHFMZHWSA-N 2 2 332.492 3.017 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985262 1371968515 /nfs/dbraw/zinc/96/85/15/1371968515.db2.gz OTXQOFDMZWVYFJ-YQHFMZHWSA-N 2 2 332.492 3.017 20 0 EGADLP CN(CCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC001209135523 1372011133 /nfs/dbraw/zinc/01/11/33/1372011133.db2.gz PGWSRCWVVDYDCW-UHFFFAOYSA-N 2 2 349.475 3.182 20 0 EGADLP COC1CCC(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392089 1372088281 /nfs/dbraw/zinc/08/82/81/1372088281.db2.gz ZSPYZTPGHCEETN-FPQWYMTMSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392089 1372088287 /nfs/dbraw/zinc/08/82/87/1372088287.db2.gz ZSPYZTPGHCEETN-FPQWYMTMSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001209392089 1372088292 /nfs/dbraw/zinc/08/82/92/1372088292.db2.gz ZSPYZTPGHCEETN-FPQWYMTMSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001209392089 1372088296 /nfs/dbraw/zinc/08/82/96/1372088296.db2.gz ZSPYZTPGHCEETN-FPQWYMTMSA-N 2 2 349.544 3.245 20 0 EGADLP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849277 1372101887 /nfs/dbraw/zinc/10/18/87/1372101887.db2.gz YUZDTGKBSGAWMM-YUCHZMFVSA-N 2 2 346.519 3.287 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2c1 ZINC001209491238 1372119596 /nfs/dbraw/zinc/11/95/96/1372119596.db2.gz BNYRVCLNOOLNTC-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](Cc3c[nH+]ccc3N)C2)c1 ZINC001209733947 1372179269 /nfs/dbraw/zinc/17/92/69/1372179269.db2.gz JATPSRPLPFRSSG-OAHLLOKOSA-N 2 2 331.847 3.499 20 0 EGADLP Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](Cc3c[nH+]ccc3N)C2)c1 ZINC001209733947 1372179270 /nfs/dbraw/zinc/17/92/70/1372179270.db2.gz JATPSRPLPFRSSG-OAHLLOKOSA-N 2 2 331.847 3.499 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001209866060 1372217165 /nfs/dbraw/zinc/21/71/65/1372217165.db2.gz NJFYUSHJIOUQHA-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP C[N@@H+]1CCc2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2C1 ZINC001209933608 1372235328 /nfs/dbraw/zinc/23/53/28/1372235328.db2.gz VEKIHHMNUOGWLZ-UHFFFAOYSA-N 2 2 337.467 3.250 20 0 EGADLP C[N@H+]1CCc2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2C1 ZINC001209933608 1372235336 /nfs/dbraw/zinc/23/53/36/1372235336.db2.gz VEKIHHMNUOGWLZ-UHFFFAOYSA-N 2 2 337.467 3.250 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001326471822 1388206061 /nfs/dbraw/zinc/20/60/61/1388206061.db2.gz CWSDKXXOLSHAHM-INIZCTEOSA-N 2 2 347.422 3.041 20 0 EGADLP FC(F)(c1nc(-c2ccccc2-n2cc[nH+]c2)no1)C1CC[NH2+]CC1 ZINC001211901840 1372631311 /nfs/dbraw/zinc/63/13/11/1372631311.db2.gz MEJHTHVRQAEXOD-UHFFFAOYSA-N 2 2 345.353 3.014 20 0 EGADLP c1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(C[NH+]2CCCC2)c1 ZINC001212360214 1372693716 /nfs/dbraw/zinc/69/37/16/1372693716.db2.gz OVTSNVMUKGQZMK-UHFFFAOYSA-N 2 2 338.455 3.258 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3cccc(-n4cc[nH+]c4)c3)c2)CC1 ZINC001212713889 1372760073 /nfs/dbraw/zinc/76/00/73/1372760073.db2.gz QZNNCAKNSUBBAD-UHFFFAOYSA-N 2 2 333.439 3.368 20 0 EGADLP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916652 1373141426 /nfs/dbraw/zinc/14/14/26/1373141426.db2.gz IJRHTIOLHVUYPY-KURKYZTESA-N 2 2 334.508 3.097 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001499 1373444745 /nfs/dbraw/zinc/44/47/45/1373444745.db2.gz QRCWFAPXLGFYLS-MJGOQNOKSA-N 2 2 342.487 3.246 20 0 EGADLP C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H]4CC[NH2+]CC4(F)F)cc32)CC1 ZINC001218008048 1373535148 /nfs/dbraw/zinc/53/51/48/1373535148.db2.gz VVVWRKWFJGSJRE-GOSISDBHSA-N 2 2 349.425 3.353 20 0 EGADLP Cc1ccc(N2CCC[C@H](Oc3ccc4c(c3C)CC[NH2+]C4)C2)[nH+]c1 ZINC001218391118 1373605399 /nfs/dbraw/zinc/60/53/99/1373605399.db2.gz RJFNEASWBVMTED-SFHVURJKSA-N 2 2 337.467 3.392 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001218499470 1373627033 /nfs/dbraw/zinc/62/70/33/1373627033.db2.gz VINMCNDRARLNGB-UHFFFAOYSA-N 2 2 334.423 3.129 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001218811282 1373656724 /nfs/dbraw/zinc/65/67/24/1373656724.db2.gz FCYFGHJJNXNCMQ-XLIONFOSSA-N 2 2 346.434 3.347 20 0 EGADLP Cc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cc(C(F)(F)F)c1 ZINC001218896728 1373664960 /nfs/dbraw/zinc/66/49/60/1373664960.db2.gz ACGSRYBNBHQGBT-HNNXBMFYSA-N 2 2 337.345 3.225 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc3c(Cl)ccnc23)cc1 ZINC001219117218 1373688255 /nfs/dbraw/zinc/68/82/55/1373688255.db2.gz ZIGKAASOVDSKJX-HNNXBMFYSA-N 2 2 340.814 3.099 20 0 EGADLP Fc1ccc(Cl)c(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1Cl ZINC001222401558 1373838677 /nfs/dbraw/zinc/83/86/77/1373838677.db2.gz WMCFRLBEXTZNII-UHFFFAOYSA-N 2 2 347.261 3.335 20 0 EGADLP Fc1ccc(Cl)c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1Cl ZINC001222401558 1373838683 /nfs/dbraw/zinc/83/86/83/1373838683.db2.gz WMCFRLBEXTZNII-UHFFFAOYSA-N 2 2 347.261 3.335 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025584 1375105314 /nfs/dbraw/zinc/10/53/14/1375105314.db2.gz RLKWPGCTLHEISQ-SDKBWNRFSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025584 1375105316 /nfs/dbraw/zinc/10/53/16/1375105316.db2.gz RLKWPGCTLHEISQ-SDKBWNRFSA-N 2 2 332.492 3.058 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091172 1375141032 /nfs/dbraw/zinc/14/10/32/1375141032.db2.gz TWUCNGREWXXLHN-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132091172 1375141035 /nfs/dbraw/zinc/14/10/35/1375141035.db2.gz TWUCNGREWXXLHN-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091172 1375141036 /nfs/dbraw/zinc/14/10/36/1375141036.db2.gz TWUCNGREWXXLHN-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC1CCCC1 ZINC001132091172 1375141038 /nfs/dbraw/zinc/14/10/38/1375141038.db2.gz TWUCNGREWXXLHN-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091170 1375141051 /nfs/dbraw/zinc/14/10/51/1375141051.db2.gz TWUCNGREWXXLHN-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132091170 1375141054 /nfs/dbraw/zinc/14/10/54/1375141054.db2.gz TWUCNGREWXXLHN-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091170 1375141057 /nfs/dbraw/zinc/14/10/57/1375141057.db2.gz TWUCNGREWXXLHN-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC1CCCC1 ZINC001132091170 1375141060 /nfs/dbraw/zinc/14/10/60/1375141060.db2.gz TWUCNGREWXXLHN-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP CC/C=C\CC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001227373025 1375423980 /nfs/dbraw/zinc/42/39/80/1375423980.db2.gz SZBSCAAJRVFEDZ-PLNGDYQASA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001132782615 1375561430 /nfs/dbraw/zinc/56/14/30/1375561430.db2.gz POYZNDIYZLIKIT-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919274 1375643740 /nfs/dbraw/zinc/64/37/40/1375643740.db2.gz HKQZVEKXKSEXSV-WBVHZDCISA-N 2 2 342.487 3.297 20 0 EGADLP CCCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132982546 1375693824 /nfs/dbraw/zinc/69/38/24/1375693824.db2.gz SKHMINLABNKWLW-SJORKVTESA-N 2 2 342.487 3.212 20 0 EGADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001133021957 1375717616 /nfs/dbraw/zinc/71/76/16/1375717616.db2.gz XDACEIHTHCAADZ-MSOLQXFVSA-N 2 2 348.535 3.174 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229038446 1375749790 /nfs/dbraw/zinc/74/97/90/1375749790.db2.gz VJTKRQMBOKLTPD-GNSUUKICSA-N 2 2 346.519 3.352 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229038446 1375749794 /nfs/dbraw/zinc/74/97/94/1375749794.db2.gz VJTKRQMBOKLTPD-GNSUUKICSA-N 2 2 346.519 3.352 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001229559181 1375854505 /nfs/dbraw/zinc/85/45/05/1375854505.db2.gz PZCIEHAUKVWVTF-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001229559181 1375854509 /nfs/dbraw/zinc/85/45/09/1375854509.db2.gz PZCIEHAUKVWVTF-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[NH+]1CCC2(CC[C@H](COc3ccc(-c4[nH]cc[nH+]4)cc3)O2)CC1 ZINC001231083204 1376200050 /nfs/dbraw/zinc/20/00/50/1376200050.db2.gz FUAVETAJSGSJLM-QGZVFWFLSA-N 2 2 327.428 3.099 20 0 EGADLP CCOc1ccccc1N1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232012322 1376381107 /nfs/dbraw/zinc/38/11/07/1376381107.db2.gz YRKADNCPTBPEBA-UHFFFAOYSA-N 2 2 336.439 3.284 20 0 EGADLP CCOc1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001232311035 1376438857 /nfs/dbraw/zinc/43/88/57/1376438857.db2.gz ICLGNZPUHKPQNC-KRWDZBQOSA-N 2 2 327.428 3.145 20 0 EGADLP CCOc1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001232311035 1376438861 /nfs/dbraw/zinc/43/88/61/1376438861.db2.gz ICLGNZPUHKPQNC-KRWDZBQOSA-N 2 2 327.428 3.145 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)c(C)n1 ZINC001232671039 1376499160 /nfs/dbraw/zinc/49/91/60/1376499160.db2.gz MHYHSUMJUIQMIT-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)c(C)n1 ZINC001232671039 1376499161 /nfs/dbraw/zinc/49/91/61/1376499161.db2.gz MHYHSUMJUIQMIT-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCC1CCCCC1 ZINC001134545952 1376583895 /nfs/dbraw/zinc/58/38/95/1376583895.db2.gz ULTUYBRQEGQDEV-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCC1CCCCC1 ZINC001134545952 1376583900 /nfs/dbraw/zinc/58/39/00/1376583900.db2.gz ULTUYBRQEGQDEV-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP CC[N@H+](Cc1cc(Br)cc(OC)c1)C1CC[NH+](C)CC1 ZINC001233215716 1376588738 /nfs/dbraw/zinc/58/87/38/1376588738.db2.gz SMVUJLSWVVTJLR-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[N@@H+](Cc1cc(Br)cc(OC)c1)C1CC[NH+](C)CC1 ZINC001233215716 1376588741 /nfs/dbraw/zinc/58/87/41/1376588741.db2.gz SMVUJLSWVVTJLR-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001134733382 1376685455 /nfs/dbraw/zinc/68/54/55/1376685455.db2.gz YYWACQQHVRZZKK-HZPDHXFCSA-N 2 2 347.503 3.086 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134737333 1376688344 /nfs/dbraw/zinc/68/83/44/1376688344.db2.gz RCECRRJJLRIOTO-MUHKLVGJSA-N 2 2 328.460 3.406 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741278 1376691613 /nfs/dbraw/zinc/69/16/13/1376691613.db2.gz WIZGWVLAWUHFKK-ZIAGYGMSSA-N 2 2 342.487 3.486 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313800 1376805005 /nfs/dbraw/zinc/80/50/05/1376805005.db2.gz LASRIKOIIXPZGP-QWNKOJSDSA-N 2 2 340.471 3.145 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313800 1376805014 /nfs/dbraw/zinc/80/50/14/1376805014.db2.gz LASRIKOIIXPZGP-QWNKOJSDSA-N 2 2 340.471 3.145 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(OC)c1Cl ZINC001235036867 1376836792 /nfs/dbraw/zinc/83/67/92/1376836792.db2.gz CEIYSKBATCUCFK-GOSISDBHSA-N 2 2 338.879 3.465 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(OC)c1Cl ZINC001235036867 1376836801 /nfs/dbraw/zinc/83/68/01/1376836801.db2.gz CEIYSKBATCUCFK-GOSISDBHSA-N 2 2 338.879 3.465 20 0 EGADLP c1csc(-c2ccccc2C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c1 ZINC001235115198 1376848031 /nfs/dbraw/zinc/84/80/31/1376848031.db2.gz FRBOTAPEPGPGCP-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP c1csc(-c2ccccc2C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c1 ZINC001235115198 1376848033 /nfs/dbraw/zinc/84/80/33/1376848033.db2.gz FRBOTAPEPGPGCP-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP Oc1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235118223 1376850249 /nfs/dbraw/zinc/85/02/49/1376850249.db2.gz NDPMKMIBIRDWLE-NRFANRHFSA-N 2 2 338.451 3.014 20 0 EGADLP Oc1ccc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235118223 1376850256 /nfs/dbraw/zinc/85/02/56/1376850256.db2.gz NDPMKMIBIRDWLE-NRFANRHFSA-N 2 2 338.451 3.014 20 0 EGADLP Brc1cccc2[nH]c(C[N@H+]3CCc4[nH+]ccn4CC3)cc21 ZINC001235222078 1376861378 /nfs/dbraw/zinc/86/13/78/1376861378.db2.gz DRRCXEIDKFXZGV-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Brc1cccc2[nH]c(C[N@@H+]3CCc4[nH+]ccn4CC3)cc21 ZINC001235222078 1376861381 /nfs/dbraw/zinc/86/13/81/1376861381.db2.gz DRRCXEIDKFXZGV-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP CCCOc1cc(F)ccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001237907094 1376989609 /nfs/dbraw/zinc/98/96/09/1376989609.db2.gz YUWLPABYQITCBI-UHFFFAOYSA-N 2 2 349.450 3.245 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001238658819 1376999879 /nfs/dbraw/zinc/99/98/79/1376999879.db2.gz HIDVBNUBJJEERE-UHFFFAOYSA-N 2 2 334.423 3.012 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCc3[nH+]ccn3CC2)c1 ZINC001238658819 1376999880 /nfs/dbraw/zinc/99/98/80/1376999880.db2.gz HIDVBNUBJJEERE-UHFFFAOYSA-N 2 2 334.423 3.012 20 0 EGADLP COCOc1ccc(C)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244458256 1377037866 /nfs/dbraw/zinc/03/78/66/1377037866.db2.gz ZMWZKWFHWIEVTJ-SFHVURJKSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1ccc(C)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001244458256 1377037869 /nfs/dbraw/zinc/03/78/69/1377037869.db2.gz ZMWZKWFHWIEVTJ-SFHVURJKSA-N 2 2 326.440 3.178 20 0 EGADLP CCCC[C@H]1C[C@@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383003 1377051696 /nfs/dbraw/zinc/05/16/96/1377051696.db2.gz GVSPJFAVJFBNFN-IRXDYDNUSA-N 2 2 332.492 3.056 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001257788066 1377114488 /nfs/dbraw/zinc/11/44/88/1377114488.db2.gz KFIJLLYYMZKHTQ-VQIMIIECSA-N 2 2 348.491 3.043 20 0 EGADLP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840951 1377229059 /nfs/dbraw/zinc/22/90/59/1377229059.db2.gz RWIWYISTXFCGAL-JKSUJKDBSA-N 2 2 328.460 3.159 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136052064 1377314014 /nfs/dbraw/zinc/31/40/14/1377314014.db2.gz KKQGORZXKBWOHA-IAGOWNOFSA-N 2 2 348.535 3.196 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136057067 1377317074 /nfs/dbraw/zinc/31/70/74/1377317074.db2.gz WDQURFGEPWKSJT-IAGOWNOFSA-N 2 2 348.535 3.196 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001267209079 1377430763 /nfs/dbraw/zinc/43/07/63/1377430763.db2.gz IUWRMJOHPUTOJB-KRWDZBQOSA-N 2 2 342.487 3.206 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001267209079 1377430765 /nfs/dbraw/zinc/43/07/65/1377430765.db2.gz IUWRMJOHPUTOJB-KRWDZBQOSA-N 2 2 342.487 3.206 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001189261256 1388499333 /nfs/dbraw/zinc/49/93/33/1388499333.db2.gz MTLAPANZPDKUHS-FGTMMUONSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001189261256 1388499337 /nfs/dbraw/zinc/49/93/37/1388499337.db2.gz MTLAPANZPDKUHS-FGTMMUONSA-N 2 2 346.519 3.193 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cc4ccccc4nc3OC)C[C@@H]2C1 ZINC001137207992 1377497033 /nfs/dbraw/zinc/49/70/33/1377497033.db2.gz GPQFZXFLOFILQE-ROUUACIJSA-N 2 2 325.456 3.017 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC001137558181 1377565256 /nfs/dbraw/zinc/56/52/56/1377565256.db2.gz FPALSGZRRYDNLL-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740243 1377568783 /nfs/dbraw/zinc/56/87/83/1377568783.db2.gz JKYUVPKBBJFZBQ-QRQLOZEOSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740243 1377568784 /nfs/dbraw/zinc/56/87/84/1377568784.db2.gz JKYUVPKBBJFZBQ-QRQLOZEOSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740243 1377568786 /nfs/dbraw/zinc/56/87/86/1377568786.db2.gz JKYUVPKBBJFZBQ-QRQLOZEOSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740243 1377568789 /nfs/dbraw/zinc/56/87/89/1377568789.db2.gz JKYUVPKBBJFZBQ-QRQLOZEOSA-N 2 2 346.519 3.234 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5ncccc5c4)C[C@H]3C2)nc1 ZINC001138107259 1377678229 /nfs/dbraw/zinc/67/82/29/1377678229.db2.gz OCZKDTOFKFDQFK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5ncccc5c4)C[C@H]3C2)nc1 ZINC001138107259 1377678230 /nfs/dbraw/zinc/67/82/30/1377678230.db2.gz OCZKDTOFKFDQFK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@H]3C2)nc1 ZINC001138107259 1377678231 /nfs/dbraw/zinc/67/82/31/1377678231.db2.gz OCZKDTOFKFDQFK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@H]3C2)nc1 ZINC001138107259 1377678232 /nfs/dbraw/zinc/67/82/32/1377678232.db2.gz OCZKDTOFKFDQFK-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP Brc1ccc2[nH]cc(C[N@H+]3CCc4[nH+]ccn4CC3)c2c1 ZINC001138321886 1377701618 /nfs/dbraw/zinc/70/16/18/1377701618.db2.gz NCMVNUBMCAPIMH-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Brc1ccc2[nH]cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c2c1 ZINC001138321886 1377701619 /nfs/dbraw/zinc/70/16/19/1377701619.db2.gz NCMVNUBMCAPIMH-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP C[N@@H+](Cc1cc(O)cc(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138331228 1377703808 /nfs/dbraw/zinc/70/38/08/1377703808.db2.gz RGFBEHYFUNXRKJ-QGZVFWFLSA-N 2 2 326.440 3.052 20 0 EGADLP C[N@H+](Cc1cc(O)cc(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138331228 1377703809 /nfs/dbraw/zinc/70/38/09/1377703809.db2.gz RGFBEHYFUNXRKJ-QGZVFWFLSA-N 2 2 326.440 3.052 20 0 EGADLP C[NH+](Cc1cc(O)cc(O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138331228 1377703812 /nfs/dbraw/zinc/70/38/12/1377703812.db2.gz RGFBEHYFUNXRKJ-QGZVFWFLSA-N 2 2 326.440 3.052 20 0 EGADLP C[NH+](Cc1cc(O)cc(O)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138331228 1377703817 /nfs/dbraw/zinc/70/38/17/1377703817.db2.gz RGFBEHYFUNXRKJ-QGZVFWFLSA-N 2 2 326.440 3.052 20 0 EGADLP Oc1cccnc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001138396326 1377715844 /nfs/dbraw/zinc/71/58/44/1377715844.db2.gz QZHPYHVORYYDDA-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138429089 1377722378 /nfs/dbraw/zinc/72/23/78/1377722378.db2.gz SNDDBIGDMBEOFT-FQEVSTJZSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138429089 1377722381 /nfs/dbraw/zinc/72/23/81/1377722381.db2.gz SNDDBIGDMBEOFT-FQEVSTJZSA-N 2 2 346.515 3.387 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCO[C@H](c3ccncc3)C2)cc1 ZINC001138548815 1377740994 /nfs/dbraw/zinc/74/09/94/1377740994.db2.gz NCNXJLXLRZVOLL-FQEVSTJZSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCO[C@H](c3ccncc3)C2)cc1 ZINC001138548815 1377740996 /nfs/dbraw/zinc/74/09/96/1377740996.db2.gz NCNXJLXLRZVOLL-FQEVSTJZSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(C)s1 ZINC001138569401 1377744317 /nfs/dbraw/zinc/74/43/17/1377744317.db2.gz HVMGPDQAFZVECH-RTBURBONSA-N 2 2 327.497 3.324 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001138850742 1377794759 /nfs/dbraw/zinc/79/47/59/1377794759.db2.gz KKBAGZJPKUPRQK-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001138850742 1377794760 /nfs/dbraw/zinc/79/47/60/1377794760.db2.gz KKBAGZJPKUPRQK-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001138850742 1377794761 /nfs/dbraw/zinc/79/47/61/1377794761.db2.gz KKBAGZJPKUPRQK-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001138850742 1377794762 /nfs/dbraw/zinc/79/47/62/1377794762.db2.gz KKBAGZJPKUPRQK-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052684 1377822067 /nfs/dbraw/zinc/82/20/67/1377822067.db2.gz KLHFNYVTWMYXGX-INIZCTEOSA-N 2 2 338.442 3.386 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052684 1377822069 /nfs/dbraw/zinc/82/20/69/1377822069.db2.gz KLHFNYVTWMYXGX-INIZCTEOSA-N 2 2 338.442 3.386 20 0 EGADLP C[N@H+](Cc1cc2cc(Br)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001139183310 1377845564 /nfs/dbraw/zinc/84/55/64/1377845564.db2.gz KGFOGIACQQENAL-UHFFFAOYSA-N 2 2 336.277 3.456 20 0 EGADLP C[N@@H+](Cc1cc2cc(Br)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001139183310 1377845566 /nfs/dbraw/zinc/84/55/66/1377845566.db2.gz KGFOGIACQQENAL-UHFFFAOYSA-N 2 2 336.277 3.456 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1Cc1ccccc1 ZINC001139358170 1377874064 /nfs/dbraw/zinc/87/40/64/1377874064.db2.gz IXLVAJPMGHWXML-LEWJYISDSA-N 2 2 333.435 3.050 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1Cc1ccccc1 ZINC001139358170 1377874067 /nfs/dbraw/zinc/87/40/67/1377874067.db2.gz IXLVAJPMGHWXML-LEWJYISDSA-N 2 2 333.435 3.050 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001140025742 1377991674 /nfs/dbraw/zinc/99/16/74/1377991674.db2.gz SQSNNSFDGJJBSO-FCHUYYIVSA-N 2 2 347.462 3.359 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001140025742 1377991675 /nfs/dbraw/zinc/99/16/75/1377991675.db2.gz SQSNNSFDGJJBSO-FCHUYYIVSA-N 2 2 347.462 3.359 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001140022932 1377991952 /nfs/dbraw/zinc/99/19/52/1377991952.db2.gz ICDVJFXOJDZXMM-UHFFFAOYSA-N 2 2 339.361 3.070 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140099209 1378007704 /nfs/dbraw/zinc/00/77/04/1378007704.db2.gz XPOPENMGHHTNMY-GJZGRUSLSA-N 2 2 331.460 3.333 20 0 EGADLP Cc1ccc2n[nH]c(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC001140329936 1378047162 /nfs/dbraw/zinc/04/71/62/1378047162.db2.gz FPOZJMQKGCBVEG-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413934 1378059192 /nfs/dbraw/zinc/05/91/92/1378059192.db2.gz MLYGLFMMXGKYJJ-FUHWJXTLSA-N 2 2 342.874 3.323 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413934 1378059194 /nfs/dbraw/zinc/05/91/94/1378059194.db2.gz MLYGLFMMXGKYJJ-FUHWJXTLSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413934 1378059196 /nfs/dbraw/zinc/05/91/96/1378059196.db2.gz MLYGLFMMXGKYJJ-FUHWJXTLSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413934 1378059198 /nfs/dbraw/zinc/05/91/98/1378059198.db2.gz MLYGLFMMXGKYJJ-FUHWJXTLSA-N 2 2 342.874 3.323 20 0 EGADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140590397 1378091544 /nfs/dbraw/zinc/09/15/44/1378091544.db2.gz HPOFTHPUIHMOIR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140590397 1378091548 /nfs/dbraw/zinc/09/15/48/1378091548.db2.gz HPOFTHPUIHMOIR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140590397 1378091552 /nfs/dbraw/zinc/09/15/52/1378091552.db2.gz HPOFTHPUIHMOIR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140590397 1378091558 /nfs/dbraw/zinc/09/15/58/1378091558.db2.gz HPOFTHPUIHMOIR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP O=C1Cc2ccccc2N1C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803022 1378140369 /nfs/dbraw/zinc/14/03/69/1378140369.db2.gz JJBOTKFHSVCXGY-UHFFFAOYSA-N 2 2 346.434 3.117 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801616 1378141035 /nfs/dbraw/zinc/14/10/35/1378141035.db2.gz TXRKHEUIHARUKP-DLBZAZTESA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801616 1378141036 /nfs/dbraw/zinc/14/10/36/1378141036.db2.gz TXRKHEUIHARUKP-DLBZAZTESA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802520 1378141304 /nfs/dbraw/zinc/14/13/04/1378141304.db2.gz XPLPGGQNDZGVHK-OAHLLOKOSA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802520 1378141306 /nfs/dbraw/zinc/14/13/06/1378141306.db2.gz XPLPGGQNDZGVHK-OAHLLOKOSA-N 2 2 344.459 3.442 20 0 EGADLP O=C1CCc2cc(N3CC[NH+](Cc4c[nH]c5cc[nH+]cc45)CC3)ccc21 ZINC001140806306 1378145535 /nfs/dbraw/zinc/14/55/35/1378145535.db2.gz FRDBQIWIMZRGRQ-UHFFFAOYSA-N 2 2 346.434 3.014 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806773 1378146330 /nfs/dbraw/zinc/14/63/30/1378146330.db2.gz RPJOKIACGWPFBO-LJQANCHMSA-N 2 2 344.459 3.300 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806773 1378146334 /nfs/dbraw/zinc/14/63/34/1378146334.db2.gz RPJOKIACGWPFBO-LJQANCHMSA-N 2 2 344.459 3.300 20 0 EGADLP c1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866992 1378160446 /nfs/dbraw/zinc/16/04/46/1378160446.db2.gz WHBWKFIYOLTTBO-SFHVURJKSA-N 2 2 330.501 3.349 20 0 EGADLP c1cc(C[NH+]2CCC[C@]3(CCC[N@H+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866992 1378160451 /nfs/dbraw/zinc/16/04/51/1378160451.db2.gz WHBWKFIYOLTTBO-SFHVURJKSA-N 2 2 330.501 3.349 20 0 EGADLP c1cc(C[N@H+]2CCC[C@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866992 1378160455 /nfs/dbraw/zinc/16/04/55/1378160455.db2.gz WHBWKFIYOLTTBO-SFHVURJKSA-N 2 2 330.501 3.349 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](Cc4cn[nH]c4)C3)C2)cs1 ZINC001275866992 1378160461 /nfs/dbraw/zinc/16/04/61/1378160461.db2.gz WHBWKFIYOLTTBO-SFHVURJKSA-N 2 2 330.501 3.349 20 0 EGADLP Nc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140876624 1378166262 /nfs/dbraw/zinc/16/62/62/1378166262.db2.gz ICXNFXSAWLKZIS-QZTJIDSGSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140876624 1378166264 /nfs/dbraw/zinc/16/62/64/1378166264.db2.gz ICXNFXSAWLKZIS-QZTJIDSGSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140876624 1378166266 /nfs/dbraw/zinc/16/62/66/1378166266.db2.gz ICXNFXSAWLKZIS-QZTJIDSGSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140876624 1378166267 /nfs/dbraw/zinc/16/62/67/1378166267.db2.gz ICXNFXSAWLKZIS-QZTJIDSGSA-N 2 2 339.458 3.362 20 0 EGADLP COC(C)(C)C[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001277584958 1378234244 /nfs/dbraw/zinc/23/42/44/1378234244.db2.gz XIQYJLWPKIOGNG-UHFFFAOYSA-N 2 2 341.499 3.143 20 0 EGADLP COC(C)(C)C[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001277584958 1378234247 /nfs/dbraw/zinc/23/42/47/1378234247.db2.gz XIQYJLWPKIOGNG-UHFFFAOYSA-N 2 2 341.499 3.143 20 0 EGADLP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC001141089043 1378237277 /nfs/dbraw/zinc/23/72/77/1378237277.db2.gz GEJZCPPZXGLOKB-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccnc(-c3ccc(F)cc3)c1)C2 ZINC001141120704 1378245005 /nfs/dbraw/zinc/24/50/05/1378245005.db2.gz ZTOZARJEWUUMPH-YLJYHZDGSA-N 2 2 325.431 3.271 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccnc(-c3ccc(F)cc3)c1)C2 ZINC001141120704 1378245006 /nfs/dbraw/zinc/24/50/06/1378245006.db2.gz ZTOZARJEWUUMPH-YLJYHZDGSA-N 2 2 325.431 3.271 20 0 EGADLP C[NH+]1CCC(C2CC[NH+](Cc3ncc(Cl)nc3Cl)CC2)CC1 ZINC001141135880 1378246668 /nfs/dbraw/zinc/24/66/68/1378246668.db2.gz ISARFZXKAUNCSY-UHFFFAOYSA-N 2 2 343.302 3.337 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1OC ZINC001141173486 1378259264 /nfs/dbraw/zinc/25/92/64/1378259264.db2.gz CWGFWGUBEKDWOC-IRXDYDNUSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1OC ZINC001141173486 1378259268 /nfs/dbraw/zinc/25/92/68/1378259268.db2.gz CWGFWGUBEKDWOC-IRXDYDNUSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(O)c1OC ZINC001141173486 1378259269 /nfs/dbraw/zinc/25/92/69/1378259269.db2.gz CWGFWGUBEKDWOC-IRXDYDNUSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(O)c1OC ZINC001141173486 1378259273 /nfs/dbraw/zinc/25/92/73/1378259273.db2.gz CWGFWGUBEKDWOC-IRXDYDNUSA-N 2 2 348.487 3.248 20 0 EGADLP C[NH+](C)CCN1CC[NH+](Cc2sccc2Oc2ccccc2)CC1 ZINC001141994513 1378402542 /nfs/dbraw/zinc/40/25/42/1378402542.db2.gz OEMYOMAZHTYTKS-UHFFFAOYSA-N 2 2 345.512 3.220 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143350049 1378585079 /nfs/dbraw/zinc/58/50/79/1378585079.db2.gz ADJYEDGNGCKSDP-KBPBESRZSA-N 2 2 328.378 3.098 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2[nH+]cn3ccccc23)c1 ZINC001144618882 1378751149 /nfs/dbraw/zinc/75/11/49/1378751149.db2.gz ILCLXDQGXOIUKX-IYBDPMFKSA-N 2 2 338.480 3.245 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2[nH+]cn3ccccc23)c1 ZINC001144618882 1378751151 /nfs/dbraw/zinc/75/11/51/1378751151.db2.gz ILCLXDQGXOIUKX-IYBDPMFKSA-N 2 2 338.480 3.245 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712467 1378905023 /nfs/dbraw/zinc/90/50/23/1378905023.db2.gz BTTMFUYYIBKBHF-QZTJIDSGSA-N 2 2 346.519 3.427 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994599 1380173413 /nfs/dbraw/zinc/17/34/13/1380173413.db2.gz NCAUHCWXHQHPIN-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994599 1380173415 /nfs/dbraw/zinc/17/34/15/1380173415.db2.gz NCAUHCWXHQHPIN-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066636 1380197084 /nfs/dbraw/zinc/19/70/84/1380197084.db2.gz SXNFSPKCZLHZBU-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066636 1380197086 /nfs/dbraw/zinc/19/70/86/1380197086.db2.gz SXNFSPKCZLHZBU-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092572 1380204899 /nfs/dbraw/zinc/20/48/99/1380204899.db2.gz JRTBUAQCTJJPQB-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092572 1380204900 /nfs/dbraw/zinc/20/49/00/1380204900.db2.gz JRTBUAQCTJJPQB-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP CCCCOCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403975 1380270806 /nfs/dbraw/zinc/27/08/06/1380270806.db2.gz RDSRKAKKSFCJJV-QGZVFWFLSA-N 2 2 349.519 3.264 20 0 EGADLP CCCCOCC[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403975 1380270807 /nfs/dbraw/zinc/27/08/07/1380270807.db2.gz RDSRKAKKSFCJJV-QGZVFWFLSA-N 2 2 349.519 3.264 20 0 EGADLP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493201 1380289935 /nfs/dbraw/zinc/28/99/35/1380289935.db2.gz YIDVBJNKWMMRBX-BCFOUKGLSA-N 2 2 346.862 3.065 20 0 EGADLP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493201 1380289937 /nfs/dbraw/zinc/28/99/37/1380289937.db2.gz YIDVBJNKWMMRBX-BCFOUKGLSA-N 2 2 346.862 3.065 20 0 EGADLP Clc1ncc(-c2ccccc2)c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057946 1380400245 /nfs/dbraw/zinc/40/02/45/1380400245.db2.gz PIOUIIPICCZQDA-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155062510 1380401178 /nfs/dbraw/zinc/40/11/78/1380401178.db2.gz DGJZZHQVJSAZAY-GOSISDBHSA-N 3 2 339.487 3.281 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155062510 1380401179 /nfs/dbraw/zinc/40/11/79/1380401179.db2.gz DGJZZHQVJSAZAY-GOSISDBHSA-N 3 2 339.487 3.281 20 0 EGADLP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522243 1380464056 /nfs/dbraw/zinc/46/40/56/1380464056.db2.gz RWNLIJFOUUOYLV-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522243 1380464059 /nfs/dbraw/zinc/46/40/59/1380464059.db2.gz RWNLIJFOUUOYLV-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1nc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001155598457 1380471635 /nfs/dbraw/zinc/47/16/35/1380471635.db2.gz OIFNIKSBCCPMGB-JXFKEZNVSA-N 2 2 344.503 3.403 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751889 1380488989 /nfs/dbraw/zinc/48/89/89/1380488989.db2.gz UNQRRJJWPOCBFG-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751889 1380488990 /nfs/dbraw/zinc/48/89/90/1380488990.db2.gz UNQRRJJWPOCBFG-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751889 1380488991 /nfs/dbraw/zinc/48/89/91/1380488991.db2.gz UNQRRJJWPOCBFG-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751889 1380488992 /nfs/dbraw/zinc/48/89/92/1380488992.db2.gz UNQRRJJWPOCBFG-IAGOWNOFSA-N 2 2 348.535 3.385 20 0 EGADLP Cc1ccccc1OCCCNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001156033715 1380515023 /nfs/dbraw/zinc/51/50/23/1380515023.db2.gz BWLTWAKEELRPAX-UHFFFAOYSA-N 2 2 340.471 3.023 20 0 EGADLP CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149131 1380531129 /nfs/dbraw/zinc/53/11/29/1380531129.db2.gz CEZFVYDRBJLAOH-HZPDHXFCSA-N 2 2 346.450 3.061 20 0 EGADLP CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149131 1380531130 /nfs/dbraw/zinc/53/11/30/1380531130.db2.gz CEZFVYDRBJLAOH-HZPDHXFCSA-N 2 2 346.450 3.061 20 0 EGADLP CC(C)c1cc2c(ncnc2NCC2([NH+](C)C)CC[NH+](C)CC2)s1 ZINC001156177006 1380536660 /nfs/dbraw/zinc/53/66/60/1380536660.db2.gz YARDCXRBAMRYRT-UHFFFAOYSA-N 2 2 347.532 3.253 20 0 EGADLP CCCc1cc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)nc(C)[nH+]1 ZINC001156215298 1380543373 /nfs/dbraw/zinc/54/33/73/1380543373.db2.gz IOBHHHYSDHVIOK-UHFFFAOYSA-N 2 2 335.455 3.091 20 0 EGADLP COc1cc2ccc(NCC[C@H]3CCC[N@H+](C)C3)[nH+]c2cc1OC ZINC001156389819 1380570114 /nfs/dbraw/zinc/57/01/14/1380570114.db2.gz SUJFRESHKZWSLI-CQSZACIVSA-N 2 2 329.444 3.396 20 0 EGADLP COc1cc2ccc(NCC[C@H]3CCC[N@@H+](C)C3)[nH+]c2cc1OC ZINC001156389819 1380570115 /nfs/dbraw/zinc/57/01/15/1380570115.db2.gz SUJFRESHKZWSLI-CQSZACIVSA-N 2 2 329.444 3.396 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156613208 1380599963 /nfs/dbraw/zinc/59/99/63/1380599963.db2.gz TWVGYJXOOYJNDP-OAHLLOKOSA-N 2 2 334.508 3.058 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156613208 1380599964 /nfs/dbraw/zinc/59/99/64/1380599964.db2.gz TWVGYJXOOYJNDP-OAHLLOKOSA-N 2 2 334.508 3.058 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCc2ccc(N)[nH+]c2C)c1)C1CC1 ZINC001156981508 1380743322 /nfs/dbraw/zinc/74/33/22/1380743322.db2.gz XOKUPWBFQQWVOC-INIZCTEOSA-N 2 2 340.427 3.036 20 0 EGADLP CC[N@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248120 1380822968 /nfs/dbraw/zinc/82/29/68/1380822968.db2.gz HRPCQMJFLPNMGL-OAHLLOKOSA-N 2 2 348.516 3.060 20 0 EGADLP CC[N@@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248120 1380822970 /nfs/dbraw/zinc/82/29/70/1380822970.db2.gz HRPCQMJFLPNMGL-OAHLLOKOSA-N 2 2 348.516 3.060 20 0 EGADLP CCC[NH+]1C[C@@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)C[C@H]2C1 ZINC001157689181 1381003024 /nfs/dbraw/zinc/00/30/24/1381003024.db2.gz HJSBHJKMTXAZAD-HZPDHXFCSA-N 2 2 325.456 3.330 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3c(Cl)ncc(Cl)c3Cl)CC2)C1 ZINC001158261923 1381176224 /nfs/dbraw/zinc/17/62/24/1381176224.db2.gz PMLRIRDXYVTOGE-VIFPVBQESA-N 2 2 349.693 3.044 20 0 EGADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3c(Cl)ncc(Cl)c3Cl)CC2)C1 ZINC001158261923 1381176230 /nfs/dbraw/zinc/17/62/30/1381176230.db2.gz PMLRIRDXYVTOGE-VIFPVBQESA-N 2 2 349.693 3.044 20 0 EGADLP C[NH+]1CCC(N(c2cc[nH+]c(N3CCCCC3)n2)C2CCCC2)CC1 ZINC001158487516 1381265089 /nfs/dbraw/zinc/26/50/89/1381265089.db2.gz FCLRFTQQSMIZJO-UHFFFAOYSA-N 2 2 343.519 3.310 20 0 EGADLP Cc1cc(OC(C)C)ncc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261194 1381746506 /nfs/dbraw/zinc/74/65/06/1381746506.db2.gz FNMDBBMZNSEYLS-UHFFFAOYSA-N 2 2 341.459 3.243 20 0 EGADLP Cc1cc[nH+]c2cc(Nc3cnc(N4CC[NH2+]CC4)c(C)c3)ccc12 ZINC001159737199 1381885802 /nfs/dbraw/zinc/88/58/02/1381885802.db2.gz XJDVTYFIVLBHKT-UHFFFAOYSA-N 2 2 333.439 3.400 20 0 EGADLP CN(C)c1ccc(Nc2cccc(F)c2OC2CC[NH2+]CC2)c[nH+]1 ZINC001160173201 1382024169 /nfs/dbraw/zinc/02/41/69/1382024169.db2.gz IWEBWBRUMMMDOG-UHFFFAOYSA-N 2 2 330.407 3.161 20 0 EGADLP c1c[nH+]c(-c2ccc(Nc3ccccc3CN3CC[NH2+]CC3)cc2)[nH]1 ZINC001160299206 1382066630 /nfs/dbraw/zinc/06/66/30/1382066630.db2.gz UCFAOVRBFKTNCV-UHFFFAOYSA-N 2 2 333.439 3.226 20 0 EGADLP CC[C@@H](F)C[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491886 1382122283 /nfs/dbraw/zinc/12/22/83/1382122283.db2.gz KKKLWFKOECVBMO-MRXNPFEDSA-N 2 2 344.434 3.063 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491886 1382122286 /nfs/dbraw/zinc/12/22/86/1382122286.db2.gz KKKLWFKOECVBMO-MRXNPFEDSA-N 2 2 344.434 3.063 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CCC1CCCC1)n1cc[nH+]c1 ZINC001160535124 1382134185 /nfs/dbraw/zinc/13/41/85/1382134185.db2.gz UDTPZROPLFQVPU-GOSISDBHSA-N 2 2 334.508 3.147 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1c[nH]c2cc(=O)ccc-2c1 ZINC001293593276 1382311278 /nfs/dbraw/zinc/31/12/78/1382311278.db2.gz WOESUTDYKNJTDS-UHFFFAOYSA-N 2 2 345.362 3.082 20 0 EGADLP CSCc1cc[nH+]c(NC2(Cc3ccccn3)CC[NH2+]CC2)c1 ZINC001161496227 1382422722 /nfs/dbraw/zinc/42/27/22/1382422722.db2.gz CVLQPDFRPXXYOB-UHFFFAOYSA-N 2 2 328.485 3.116 20 0 EGADLP COc1ccc(Cn2c[nH+]cc2CNc2[nH+]ccc3c2ccn3C)cc1 ZINC001161507113 1382425589 /nfs/dbraw/zinc/42/55/89/1382425589.db2.gz IHBAVJUTOGYACO-UHFFFAOYSA-N 2 2 347.422 3.439 20 0 EGADLP C[C@H]1CCCN(c2cc(NC[C@]3(CC4CC4)CCC[NH2+]3)nc[nH+]2)C1 ZINC001162353418 1382739053 /nfs/dbraw/zinc/73/90/53/1382739053.db2.gz PYAUTTLAGTYNIY-HNAYVOBHSA-N 2 2 329.492 3.047 20 0 EGADLP COc1ccc[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162463979 1382764038 /nfs/dbraw/zinc/76/40/38/1382764038.db2.gz GWXXBYRRCVYOJN-UHFFFAOYSA-N 2 2 331.400 3.048 20 0 EGADLP c1cn(-c2ccc(-c3ccc(N[C@@]45CCC[C@@H]4[NH2+]CC5)nn3)cc2)c[nH+]1 ZINC001162984464 1382937324 /nfs/dbraw/zinc/93/73/24/1382937324.db2.gz YNDGIRMACLZYOB-AZUAARDMSA-N 2 2 346.438 3.026 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163064486 1382959057 /nfs/dbraw/zinc/95/90/57/1382959057.db2.gz ZFIOICCHZWULDS-MRXNPFEDSA-N 2 2 335.455 3.110 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(NCc2cccc(C[NH+](C)C)c2)c1 ZINC001163993966 1383144106 /nfs/dbraw/zinc/14/41/06/1383144106.db2.gz ASENZUAZFHLEQA-UHFFFAOYSA-N 2 2 338.411 3.023 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001297440662 1383162021 /nfs/dbraw/zinc/16/20/21/1383162021.db2.gz SNKMPJZNMZMMRG-UHFFFAOYSA-N 2 2 329.363 3.147 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001165108804 1383230039 /nfs/dbraw/zinc/23/00/39/1383230039.db2.gz HTAQTZXFUVOUCP-SFHVURJKSA-N 2 2 331.504 3.459 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001165108804 1383230042 /nfs/dbraw/zinc/23/00/42/1383230042.db2.gz HTAQTZXFUVOUCP-SFHVURJKSA-N 2 2 331.504 3.459 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(N3CCCC3)cc3ccccc31)CC[NH2+]CC2 ZINC001165354878 1383280899 /nfs/dbraw/zinc/28/08/99/1383280899.db2.gz KWCIMIFAQFKOHK-UHFFFAOYSA-N 2 2 347.466 3.017 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165592957 1383313620 /nfs/dbraw/zinc/31/36/20/1383313620.db2.gz FSZCPSOAMAMACY-HZPDHXFCSA-N 2 2 346.519 3.216 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165592957 1383313622 /nfs/dbraw/zinc/31/36/22/1383313622.db2.gz FSZCPSOAMAMACY-HZPDHXFCSA-N 2 2 346.519 3.216 20 0 EGADLP CCCCC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165750256 1383338606 /nfs/dbraw/zinc/33/86/06/1383338606.db2.gz SRJGTAIOURSALO-UHFFFAOYSA-N 2 2 328.460 3.243 20 0 EGADLP CSc1cc[nH+]c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001167161064 1383555552 /nfs/dbraw/zinc/55/55/52/1383555552.db2.gz SNXOQDRFWXHVHH-UHFFFAOYSA-N 2 2 325.481 3.445 20 0 EGADLP COc1nccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168020112 1383798427 /nfs/dbraw/zinc/79/84/27/1383798427.db2.gz KNPTYYRSSHDDBM-HGKCTWBKSA-N 2 2 340.471 3.016 20 0 EGADLP COc1nccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168020112 1383798430 /nfs/dbraw/zinc/79/84/30/1383798430.db2.gz KNPTYYRSSHDDBM-HGKCTWBKSA-N 2 2 340.471 3.016 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168462803 1383912507 /nfs/dbraw/zinc/91/25/07/1383912507.db2.gz GLSQDIRMRDGRJR-GOSISDBHSA-N 2 2 348.535 3.222 20 0 EGADLP CC(C)(C)c1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)co1 ZINC001335633185 1388887896 /nfs/dbraw/zinc/88/78/96/1388887896.db2.gz PVCLSNAIPHCUPO-UHFFFAOYSA-N 2 2 349.519 3.297 20 0 EGADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001169101255 1384107204 /nfs/dbraw/zinc/10/72/04/1384107204.db2.gz PWWRJUUAAVADMJ-NXOAAHMSSA-N 2 2 336.863 3.159 20 0 EGADLP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001169101255 1384107207 /nfs/dbraw/zinc/10/72/07/1384107207.db2.gz PWWRJUUAAVADMJ-NXOAAHMSSA-N 2 2 336.863 3.159 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001169099676 1384107312 /nfs/dbraw/zinc/10/73/12/1384107312.db2.gz DSKLGANVFCXZRI-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001169099676 1384107314 /nfs/dbraw/zinc/10/73/14/1384107314.db2.gz DSKLGANVFCXZRI-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP CC1(c2cc[nH+]c(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)c2)OCCO1 ZINC001169140787 1384113080 /nfs/dbraw/zinc/11/30/80/1384113080.db2.gz HULRBASPGQFHMD-MAUKXSAKSA-N 2 2 333.476 3.257 20 0 EGADLP CC1(C)C[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@](C)(C[NH3+])C1 ZINC001169142688 1384113515 /nfs/dbraw/zinc/11/35/15/1384113515.db2.gz NSSJPNZTLPLDPF-APWZRJJASA-N 2 2 327.476 3.282 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156433 1384116567 /nfs/dbraw/zinc/11/65/67/1384116567.db2.gz YGNVVNCVLPDNME-KFESYUHLSA-N 2 2 334.467 3.142 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156433 1384116568 /nfs/dbraw/zinc/11/65/68/1384116568.db2.gz YGNVVNCVLPDNME-KFESYUHLSA-N 2 2 334.467 3.142 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156433 1384116572 /nfs/dbraw/zinc/11/65/72/1384116572.db2.gz YGNVVNCVLPDNME-KFESYUHLSA-N 2 2 334.467 3.142 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156433 1384116578 /nfs/dbraw/zinc/11/65/78/1384116578.db2.gz YGNVVNCVLPDNME-KFESYUHLSA-N 2 2 334.467 3.142 20 0 EGADLP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001308375026 1384122741 /nfs/dbraw/zinc/12/27/41/1384122741.db2.gz UCOGMXWMICPGOF-ICSRJNTNSA-N 2 2 346.515 3.456 20 0 EGADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078469 1384230335 /nfs/dbraw/zinc/23/03/35/1384230335.db2.gz SGMALQQQGRPMDL-VQTJNVASSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078469 1384230336 /nfs/dbraw/zinc/23/03/36/1384230336.db2.gz SGMALQQQGRPMDL-VQTJNVASSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078469 1384230338 /nfs/dbraw/zinc/23/03/38/1384230338.db2.gz SGMALQQQGRPMDL-VQTJNVASSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)CCCC(C)C)C2)C1 ZINC001170078469 1384230341 /nfs/dbraw/zinc/23/03/41/1384230341.db2.gz SGMALQQQGRPMDL-VQTJNVASSA-N 2 2 340.552 3.262 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)CCO1 ZINC001170197492 1384261434 /nfs/dbraw/zinc/26/14/34/1384261434.db2.gz OVBNNSQAFWPKPM-MOPGFXCFSA-N 2 2 332.488 3.207 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471319 1384326115 /nfs/dbraw/zinc/32/61/15/1384326115.db2.gz BAZNMAVLNLGQBL-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP CCCCCC[C@@H](CC)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001170579157 1384345669 /nfs/dbraw/zinc/34/56/69/1384345669.db2.gz QGXFUMJDSFFERK-OWCLPIDISA-N 2 2 327.513 3.272 20 0 EGADLP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171410952 1384515395 /nfs/dbraw/zinc/51/53/95/1384515395.db2.gz ZCVQDBWRFDNQQW-ROUUACIJSA-N 2 2 336.524 3.391 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC2CC(C)C2)c[nH+]1 ZINC001171475318 1384533699 /nfs/dbraw/zinc/53/36/99/1384533699.db2.gz HVRRBEMDWFRXQF-PQUAAJSLSA-N 2 2 348.535 3.237 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171485754 1384537981 /nfs/dbraw/zinc/53/79/81/1384537981.db2.gz DHXBLKPLULFZMF-MRXNPFEDSA-N 2 2 349.519 3.334 20 0 EGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507595 1384545313 /nfs/dbraw/zinc/54/53/13/1384545313.db2.gz LIJUEXCSGPNSBX-HNNXBMFYSA-N 2 2 334.385 3.422 20 0 EGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507595 1384545314 /nfs/dbraw/zinc/54/53/14/1384545314.db2.gz LIJUEXCSGPNSBX-HNNXBMFYSA-N 2 2 334.385 3.422 20 0 EGADLP C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525853 1384551027 /nfs/dbraw/zinc/55/10/27/1384551027.db2.gz DVZKYZDEDFMISH-KGLIPLIRSA-N 2 2 334.439 3.189 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605738 1384578006 /nfs/dbraw/zinc/57/80/06/1384578006.db2.gz QLKYSWGEIABZDU-ROUUACIJSA-N 2 2 348.535 3.290 20 0 EGADLP Cc1ccc(N([C@@H]2Cc3cccc(F)c3C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001171811061 1384645700 /nfs/dbraw/zinc/64/57/00/1384645700.db2.gz WGJPGXXYLIJPIX-QGZVFWFLSA-N 2 2 325.431 3.255 20 0 EGADLP Fc1cccc2c1C[C@@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)C2 ZINC001171812547 1384647087 /nfs/dbraw/zinc/64/70/87/1384647087.db2.gz REOOJPBNCDVSOV-HNNXBMFYSA-N 2 2 329.394 3.086 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896484 1384673819 /nfs/dbraw/zinc/67/38/19/1384673819.db2.gz OVHQGLIQDXNVKR-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP CC1(C)C[C@H]([NH2+]Cc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC001171965079 1384697577 /nfs/dbraw/zinc/69/75/77/1384697577.db2.gz OAZJTVNJYDNPMX-GOSISDBHSA-N 2 2 349.482 3.262 20 0 EGADLP CC1(C)C[C@H]([NH2+]Cc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC001171965079 1384697579 /nfs/dbraw/zinc/69/75/79/1384697579.db2.gz OAZJTVNJYDNPMX-GOSISDBHSA-N 2 2 349.482 3.262 20 0 EGADLP CC1(C)C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171977508 1384701558 /nfs/dbraw/zinc/70/15/58/1384701558.db2.gz RTIONNPANZZADB-SFHVURJKSA-N 3 2 326.488 3.390 20 0 EGADLP CC1(C)C[C@@H](n2cc[nH+]c2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171977508 1384701561 /nfs/dbraw/zinc/70/15/61/1384701561.db2.gz RTIONNPANZZADB-SFHVURJKSA-N 3 2 326.488 3.390 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706912 /nfs/dbraw/zinc/70/69/12/1384706912.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706915 /nfs/dbraw/zinc/70/69/15/1384706915.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706922 /nfs/dbraw/zinc/70/69/22/1384706922.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987316 1384706924 /nfs/dbraw/zinc/70/69/24/1384706924.db2.gz UFQLTCSOTJXBND-IRLDBZIGSA-N 3 2 341.543 3.457 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061605 1384714354 /nfs/dbraw/zinc/71/43/54/1384714354.db2.gz HTSQQGACRWUFPM-PMOLBWCYSA-N 3 2 338.499 3.451 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061605 1384714362 /nfs/dbraw/zinc/71/43/62/1384714362.db2.gz HTSQQGACRWUFPM-PMOLBWCYSA-N 3 2 338.499 3.451 20 0 EGADLP C[N@H+](Cc1ccncn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081253 1384722561 /nfs/dbraw/zinc/72/25/61/1384722561.db2.gz BKGISMZJXBEMCE-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP C[N@@H+](Cc1ccncn1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172081253 1384722568 /nfs/dbraw/zinc/72/25/68/1384722568.db2.gz BKGISMZJXBEMCE-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+](Cc1ccncn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172081253 1384722570 /nfs/dbraw/zinc/72/25/70/1384722570.db2.gz BKGISMZJXBEMCE-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+](Cc1ccncn1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172081253 1384722576 /nfs/dbraw/zinc/72/25/76/1384722576.db2.gz BKGISMZJXBEMCE-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP CC(=O)[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081462 1384722937 /nfs/dbraw/zinc/72/29/37/1384722937.db2.gz FVPLDPKYPLPDBV-MXEMCNAFSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081462 1384722940 /nfs/dbraw/zinc/72/29/40/1384722940.db2.gz FVPLDPKYPLPDBV-MXEMCNAFSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081462 1384722942 /nfs/dbraw/zinc/72/29/42/1384722942.db2.gz FVPLDPKYPLPDBV-MXEMCNAFSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172081462 1384722945 /nfs/dbraw/zinc/72/29/45/1384722945.db2.gz FVPLDPKYPLPDBV-MXEMCNAFSA-N 2 2 326.484 3.483 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](C/C=C/c3ccccc3)CC1)C2 ZINC001172109483 1384730080 /nfs/dbraw/zinc/73/00/80/1384730080.db2.gz DICWYWUPMDLOEA-WJMSIXDMSA-N 2 2 339.527 3.333 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](C/C=C/c3ccccc3)CC1)C2 ZINC001172109483 1384730083 /nfs/dbraw/zinc/73/00/83/1384730083.db2.gz DICWYWUPMDLOEA-WJMSIXDMSA-N 2 2 339.527 3.333 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119049 1384733075 /nfs/dbraw/zinc/73/30/75/1384733075.db2.gz RSYAAWYYUSYUAA-YDZRNGNQSA-N 3 2 349.563 3.013 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119049 1384733077 /nfs/dbraw/zinc/73/30/77/1384733077.db2.gz RSYAAWYYUSYUAA-YDZRNGNQSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119049 1384733081 /nfs/dbraw/zinc/73/30/81/1384733081.db2.gz RSYAAWYYUSYUAA-YDZRNGNQSA-N 3 2 349.563 3.013 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)C2 ZINC001172119049 1384733083 /nfs/dbraw/zinc/73/30/83/1384733083.db2.gz RSYAAWYYUSYUAA-YDZRNGNQSA-N 3 2 349.563 3.013 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121650 1384733960 /nfs/dbraw/zinc/73/39/60/1384733960.db2.gz RSSVNNQFXALARI-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121650 1384733963 /nfs/dbraw/zinc/73/39/63/1384733963.db2.gz RSSVNNQFXALARI-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121650 1384733967 /nfs/dbraw/zinc/73/39/67/1384733967.db2.gz RSSVNNQFXALARI-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN(C(=O)OC(C)(C)C)CC13CC3)C2 ZINC001172121650 1384733970 /nfs/dbraw/zinc/73/39/70/1384733970.db2.gz RSSVNNQFXALARI-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127772 1384736412 /nfs/dbraw/zinc/73/64/12/1384736412.db2.gz KJFKKUZBKBUNCL-ACDBMABISA-N 2 2 347.547 3.116 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127772 1384736415 /nfs/dbraw/zinc/73/64/15/1384736415.db2.gz KJFKKUZBKBUNCL-ACDBMABISA-N 2 2 347.547 3.116 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127772 1384736417 /nfs/dbraw/zinc/73/64/17/1384736417.db2.gz KJFKKUZBKBUNCL-ACDBMABISA-N 2 2 347.547 3.116 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127772 1384736421 /nfs/dbraw/zinc/73/64/21/1384736421.db2.gz KJFKKUZBKBUNCL-ACDBMABISA-N 2 2 347.547 3.116 20 0 EGADLP c1ccc(CC2CC[NH+](CC[NH2+]C3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001172216333 1384750020 /nfs/dbraw/zinc/75/00/20/1384750020.db2.gz GCPUFNXOABJVRT-SEJPIABJSA-N 2 2 328.500 3.241 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172322270 1384769776 /nfs/dbraw/zinc/76/97/76/1384769776.db2.gz SRDOMJOAXNOPDU-MSOLQXFVSA-N 2 2 334.504 3.202 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1C ZINC001172361731 1384777670 /nfs/dbraw/zinc/77/76/70/1384777670.db2.gz LQKKZCCMICJXGM-QWFCFKBJSA-N 2 2 346.515 3.312 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172747208 1384842737 /nfs/dbraw/zinc/84/27/37/1384842737.db2.gz ZQVDPUAJMFIDTE-INIZCTEOSA-N 2 2 348.487 3.067 20 0 EGADLP COC(=O)[C@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779596 1384850598 /nfs/dbraw/zinc/85/05/98/1384850598.db2.gz GSVCSGDODCAYCQ-XSLAGTTESA-N 2 2 345.487 3.280 20 0 EGADLP COc1cccc2c1C[C@H]([NH2+][C@@H](CC[NH+](C)C)c1ccccc1)CO2 ZINC001173148575 1384924570 /nfs/dbraw/zinc/92/45/70/1384924570.db2.gz JVEUGASSYVFYOP-HKUYNNGSSA-N 2 2 340.467 3.281 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175209352 1385220507 /nfs/dbraw/zinc/22/05/07/1385220507.db2.gz IVIJUTYJNYEDJZ-CVEARBPZSA-N 2 2 334.508 3.140 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175209492 1385220957 /nfs/dbraw/zinc/22/09/57/1385220957.db2.gz KFZCPNGQZKCAQR-WBVHZDCISA-N 2 2 346.519 3.284 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479717 1385306132 /nfs/dbraw/zinc/30/61/32/1385306132.db2.gz SNTZSFSGYWNGQV-IAGOWNOFSA-N 2 2 342.487 3.286 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501940 1385312751 /nfs/dbraw/zinc/31/27/51/1385312751.db2.gz HRFCWGDRSNSTKR-HZPDHXFCSA-N 2 2 348.516 3.361 20 0 EGADLP CCC[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001317722008 1385422467 /nfs/dbraw/zinc/42/24/67/1385422467.db2.gz LIQHQSSLIFTFIX-FQEVSTJZSA-N 2 2 348.450 3.343 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317757963 1385447761 /nfs/dbraw/zinc/44/77/61/1385447761.db2.gz BJXGUOHMIIOQSR-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317757963 1385447763 /nfs/dbraw/zinc/44/77/63/1385447763.db2.gz BJXGUOHMIIOQSR-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317757963 1385447765 /nfs/dbraw/zinc/44/77/65/1385447765.db2.gz BJXGUOHMIIOQSR-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317757963 1385447767 /nfs/dbraw/zinc/44/77/67/1385447767.db2.gz BJXGUOHMIIOQSR-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cs1 ZINC001176350353 1385558730 /nfs/dbraw/zinc/55/87/30/1385558730.db2.gz BUOVKSOMOVRQBT-CYBMUJFWSA-N 2 2 348.516 3.095 20 0 EGADLP C[NH+](C)CCCOc1ccc(Nc2ccccc2-n2cc[nH+]c2)cn1 ZINC001176356077 1385561388 /nfs/dbraw/zinc/56/13/88/1385561388.db2.gz YSGDVPANGQVYOO-UHFFFAOYSA-N 2 2 337.427 3.341 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)Cn2cc[nH+]c2)c(C)s1 ZINC001176829383 1385715194 /nfs/dbraw/zinc/71/51/94/1385715194.db2.gz MAYDNSBVZQDXJI-AWEZNQCLSA-N 2 2 348.516 3.026 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC001318552883 1385751771 /nfs/dbraw/zinc/75/17/71/1385751771.db2.gz JJLVFBRPEFWJFT-DZGCQCFKSA-N 2 2 328.416 3.110 20 0 EGADLP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177468507 1385968084 /nfs/dbraw/zinc/96/80/84/1385968084.db2.gz CKYJKSQNZGHXPN-UHFFFAOYSA-N 2 2 348.535 3.449 20 0 EGADLP COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC001177624298 1386009916 /nfs/dbraw/zinc/00/99/16/1386009916.db2.gz IMUOZJLJTKUGOD-GOSISDBHSA-N 2 2 348.450 3.249 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(F)c1F ZINC001319552209 1386175394 /nfs/dbraw/zinc/17/53/94/1386175394.db2.gz KOSKUWCMYNEZQS-UHFFFAOYSA-N 2 2 328.322 3.035 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178703840 1386284575 /nfs/dbraw/zinc/28/45/75/1386284575.db2.gz FMNLLVXLIJOQAL-CKBPIOJVSA-N 2 2 340.471 3.192 20 0 EGADLP CC1(C)CC(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001178752445 1386294076 /nfs/dbraw/zinc/29/40/76/1386294076.db2.gz QOHOWHUZEDXSKV-IAGOWNOFSA-N 2 2 346.519 3.216 20 0 EGADLP CC1(C)CC(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001178752445 1386294080 /nfs/dbraw/zinc/29/40/80/1386294080.db2.gz QOHOWHUZEDXSKV-IAGOWNOFSA-N 2 2 346.519 3.216 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCCCCC[NH2+]CC2CCCC2)c[nH+]1 ZINC001178808164 1386312605 /nfs/dbraw/zinc/31/26/05/1386312605.db2.gz AKLUDTWTNNKIEB-UHFFFAOYSA-N 2 2 348.535 3.383 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811114 1386314263 /nfs/dbraw/zinc/31/42/63/1386314263.db2.gz REASNWAVOSHSSZ-SNAWJCMRSA-N 2 2 347.503 3.255 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880665 1386337579 /nfs/dbraw/zinc/33/75/79/1386337579.db2.gz NYIZIAPSAGZJQD-WBVHZDCISA-N 2 2 348.535 3.135 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880665 1386337585 /nfs/dbraw/zinc/33/75/85/1386337585.db2.gz NYIZIAPSAGZJQD-WBVHZDCISA-N 2 2 348.535 3.135 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141867 1386409411 /nfs/dbraw/zinc/40/94/11/1386409411.db2.gz RDQINRHWACVBJS-ULQDDVLXSA-N 2 2 342.487 3.209 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179244660 1386429856 /nfs/dbraw/zinc/42/98/56/1386429856.db2.gz CIIYRZCXISRCDP-LPHOPBHVSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001320055285 1386478078 /nfs/dbraw/zinc/47/80/78/1386478078.db2.gz MOMFIMUSTSETAH-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001320055285 1386478083 /nfs/dbraw/zinc/47/80/83/1386478083.db2.gz MOMFIMUSTSETAH-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]Cc1ccccc1Cl ZINC001179689929 1386555246 /nfs/dbraw/zinc/55/52/46/1386555246.db2.gz RYOXCXPEPJESAS-UHFFFAOYSA-N 2 2 348.878 3.072 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1cccc(F)c1 ZINC001179693436 1386556867 /nfs/dbraw/zinc/55/68/67/1386556867.db2.gz ZTUTWDTYUVVHGF-OAHLLOKOSA-N 2 2 346.450 3.119 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179776616 1386580836 /nfs/dbraw/zinc/58/08/36/1386580836.db2.gz BORVRMPXDKVZSJ-MRXNPFEDSA-N 2 2 336.524 3.291 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179776616 1386580842 /nfs/dbraw/zinc/58/08/42/1386580842.db2.gz BORVRMPXDKVZSJ-MRXNPFEDSA-N 2 2 336.524 3.291 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001179902238 1386622298 /nfs/dbraw/zinc/62/22/98/1386622298.db2.gz KFUNFXOVUZLITR-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001180158278 1386716868 /nfs/dbraw/zinc/71/68/68/1386716868.db2.gz HQFAAAOQNYZPAA-UHFFFAOYSA-N 2 2 348.535 3.497 20 0 EGADLP CC1(C)CCC(C[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001180470060 1386807079 /nfs/dbraw/zinc/80/70/79/1386807079.db2.gz GOIQZYGARGEBDS-UHFFFAOYSA-N 2 2 348.535 3.366 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@]1(C)C[NH2+]CCCC(C)(C)C ZINC001181279588 1386971996 /nfs/dbraw/zinc/97/19/96/1386971996.db2.gz VCYKLDWMKSWWEI-OXQOHEQNSA-N 2 2 348.535 3.243 20 0 EGADLP CC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182218081 1387122834 /nfs/dbraw/zinc/12/28/34/1387122834.db2.gz GCAABMGNNDLUAR-QGZVFWFLSA-N 2 2 339.911 3.181 20 0 EGADLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001336703533 1389141017 /nfs/dbraw/zinc/14/10/17/1389141017.db2.gz KOKBIEUYWDLYNC-HNNXBMFYSA-N 2 2 325.815 3.122 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001337042887 1389243181 /nfs/dbraw/zinc/24/31/81/1389243181.db2.gz VDIYXOXJUHYKNA-OAHLLOKOSA-N 2 2 343.427 3.236 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001337042887 1389243183 /nfs/dbraw/zinc/24/31/83/1389243183.db2.gz VDIYXOXJUHYKNA-OAHLLOKOSA-N 2 2 343.427 3.236 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413282 1389405532 /nfs/dbraw/zinc/40/55/32/1389405532.db2.gz UCHKBKPGJMPCHA-SFHVURJKSA-N 2 2 342.508 3.446 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413282 1389405536 /nfs/dbraw/zinc/40/55/36/1389405536.db2.gz UCHKBKPGJMPCHA-SFHVURJKSA-N 2 2 342.508 3.446 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001339064067 1389882512 /nfs/dbraw/zinc/88/25/12/1389882512.db2.gz VBTGMANMZPKZQV-CQSZACIVSA-N 2 2 336.395 3.290 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC001339092603 1389896503 /nfs/dbraw/zinc/89/65/03/1389896503.db2.gz CUUCVQUNNPQFAX-GFCCVEGCSA-N 2 2 340.358 3.121 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C[NH2+]CC1CCCC1 ZINC001698765803 1406422112 /nfs/dbraw/zinc/42/21/12/1406422112.db2.gz SJNDGRCHYSSUNJ-INIZCTEOSA-N 2 2 340.471 3.018 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CO2 ZINC001333161301 1390258208 /nfs/dbraw/zinc/25/82/08/1390258208.db2.gz MJPABGMGHDTBGK-ICSRJNTNSA-N 2 2 349.434 3.226 20 0 EGADLP CSCC[C@H]([NH3+])CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001342376272 1390606589 /nfs/dbraw/zinc/60/65/89/1390606589.db2.gz IOEOPVZSQGLYKB-AWEZNQCLSA-N 2 2 332.473 3.103 20 0 EGADLP COc1cccc2c(N3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)cc[nH+]c12 ZINC001352099169 1391758948 /nfs/dbraw/zinc/75/89/48/1391758948.db2.gz LKWGACQGPHCBSW-XHSDSOJGSA-N 2 2 325.456 3.410 20 0 EGADLP CC[NH+](CC)CC[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001353497579 1392024229 /nfs/dbraw/zinc/02/42/29/1392024229.db2.gz LCMXTNSHABVXCJ-WMZOPIPTSA-N 2 2 342.487 3.168 20 0 EGADLP [NH3+]C[C@H](C(=O)N1CCC(Nc2cccc[nH+]2)CC1)C1CCCCCC1 ZINC001354684186 1392160975 /nfs/dbraw/zinc/16/09/75/1392160975.db2.gz WQCUDOCSHNTZPS-SFHVURJKSA-N 2 2 344.503 3.030 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001698973627 1406740013 /nfs/dbraw/zinc/74/00/13/1406740013.db2.gz ZBUZDJBEBXGPMZ-DYVFJYSZSA-N 2 2 348.878 3.097 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001496353509 1396663249 /nfs/dbraw/zinc/66/32/49/1396663249.db2.gz YUVYOBLNCZCWJS-RDJZCZTQSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001690946453 1404853982 /nfs/dbraw/zinc/85/39/82/1404853982.db2.gz AYKPOWVWIXMDQE-MRXNPFEDSA-N 2 2 342.487 3.275 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001690946453 1404853986 /nfs/dbraw/zinc/85/39/86/1404853986.db2.gz AYKPOWVWIXMDQE-MRXNPFEDSA-N 2 2 342.487 3.275 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001690946453 1404853990 /nfs/dbraw/zinc/85/39/90/1404853990.db2.gz AYKPOWVWIXMDQE-MRXNPFEDSA-N 2 2 342.487 3.275 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001690946453 1404853995 /nfs/dbraw/zinc/85/39/95/1404853995.db2.gz AYKPOWVWIXMDQE-MRXNPFEDSA-N 2 2 342.487 3.275 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001690983671 1404896928 /nfs/dbraw/zinc/89/69/28/1404896928.db2.gz TZQBALLQZURFCK-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001690983671 1404896933 /nfs/dbraw/zinc/89/69/33/1404896933.db2.gz TZQBALLQZURFCK-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001690983671 1404896939 /nfs/dbraw/zinc/89/69/39/1404896939.db2.gz TZQBALLQZURFCK-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001690983671 1404896942 /nfs/dbraw/zinc/89/69/42/1404896942.db2.gz TZQBALLQZURFCK-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001698601519 1406227328 /nfs/dbraw/zinc/22/73/28/1406227328.db2.gz TZYFKDIZKTULNV-CJNGLKHVSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001698601519 1406227330 /nfs/dbraw/zinc/22/73/30/1406227330.db2.gz TZYFKDIZKTULNV-CJNGLKHVSA-N 2 2 348.878 3.241 20 0 EGADLP CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001732036685 1428258084 /nfs/dbraw/zinc/25/80/84/1428258084.db2.gz HPAUANNMYGGSJV-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CCCC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001732036685 1428258086 /nfs/dbraw/zinc/25/80/86/1428258086.db2.gz HPAUANNMYGGSJV-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC3CC[NH+](CC(C)C)CC3)ccn12 ZINC001732321985 1428531482 /nfs/dbraw/zinc/53/14/82/1428531482.db2.gz UVLLOPBEIIAFGB-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001699406208 1412719844 /nfs/dbraw/zinc/71/98/44/1412719844.db2.gz QCTMYBDHTVYVJP-JKSUJKDBSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001699406208 1412719848 /nfs/dbraw/zinc/71/98/48/1412719848.db2.gz QCTMYBDHTVYVJP-JKSUJKDBSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001699475567 1412867924 /nfs/dbraw/zinc/86/79/24/1412867924.db2.gz FDEHBBLERHSRIX-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP C[C@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001699475567 1412867928 /nfs/dbraw/zinc/86/79/28/1412867928.db2.gz FDEHBBLERHSRIX-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001732560360 1428749627 /nfs/dbraw/zinc/74/96/27/1428749627.db2.gz XNVYWXGHACORAR-APWZRJJASA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001732560360 1428749633 /nfs/dbraw/zinc/74/96/33/1428749633.db2.gz XNVYWXGHACORAR-APWZRJJASA-N 2 2 342.487 3.142 20 0 EGADLP C[N@H+](C/C=C/Cl)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131508 1417705597 /nfs/dbraw/zinc/70/55/97/1417705597.db2.gz GHMLKYAPPFHHKI-ZRFDWSJLSA-N 2 2 346.862 3.099 20 0 EGADLP C[N@@H+](C/C=C/Cl)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131508 1417705601 /nfs/dbraw/zinc/70/56/01/1417705601.db2.gz GHMLKYAPPFHHKI-ZRFDWSJLSA-N 2 2 346.862 3.099 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC001713493728 1418196943 /nfs/dbraw/zinc/19/69/43/1418196943.db2.gz RXGPAMNOOZHRQW-JKSUJKDBSA-N 2 2 346.450 3.173 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC001713493728 1418196945 /nfs/dbraw/zinc/19/69/45/1418196945.db2.gz RXGPAMNOOZHRQW-JKSUJKDBSA-N 2 2 346.450 3.173 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CCC)CC1 ZINC001713857502 1418653936 /nfs/dbraw/zinc/65/39/36/1418653936.db2.gz WZVREMWJYZCFKN-UHFFFAOYSA-N 2 2 328.460 3.290 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001714080916 1418874452 /nfs/dbraw/zinc/87/44/52/1418874452.db2.gz SUYDNUFJVFIYSM-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109011 1418909719 /nfs/dbraw/zinc/90/97/19/1418909719.db2.gz FPGCQVQMMKZHDU-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109011 1418909720 /nfs/dbraw/zinc/90/97/20/1418909720.db2.gz FPGCQVQMMKZHDU-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341316 /nfs/dbraw/zinc/34/13/16/1419341316.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341318 /nfs/dbraw/zinc/34/13/18/1419341318.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341320 /nfs/dbraw/zinc/34/13/20/1419341320.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1C ZINC001714593036 1419341323 /nfs/dbraw/zinc/34/13/23/1419341323.db2.gz CYBKVFFCQKAMKI-SJORKVTESA-N 2 2 342.487 3.096 20 0 EGADLP C[C@H]([NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC001714804809 1419518260 /nfs/dbraw/zinc/51/82/60/1419518260.db2.gz SOQZAJSPCYBFHY-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1)c1ccccc1 ZINC001714841053 1419553574 /nfs/dbraw/zinc/55/35/74/1419553574.db2.gz UDBKLBBJKMRSJI-JXFKEZNVSA-N 2 2 348.450 3.161 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001715347786 1420049177 /nfs/dbraw/zinc/04/91/77/1420049177.db2.gz IRIFDPQOBGWETI-CYBMUJFWSA-N 2 2 339.430 3.102 20 0 EGADLP CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CCC1 ZINC001715500233 1420182617 /nfs/dbraw/zinc/18/26/17/1420182617.db2.gz VOLVIGPFUZLLNP-IBGZPJMESA-N 2 2 340.471 3.016 20 0 EGADLP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001715936389 1420407345 /nfs/dbraw/zinc/40/73/45/1420407345.db2.gz SNMYPRUJEXPGCA-OAHLLOKOSA-N 2 2 336.439 3.088 20 0 EGADLP CN(CCC[N@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001717212747 1421187714 /nfs/dbraw/zinc/18/77/14/1421187714.db2.gz MCXMQJZKKHLTJY-UHFFFAOYSA-N 2 2 334.508 3.093 20 0 EGADLP CN(CCC[N@@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001717212747 1421187716 /nfs/dbraw/zinc/18/77/16/1421187716.db2.gz MCXMQJZKKHLTJY-UHFFFAOYSA-N 2 2 334.508 3.093 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717378507 1421321572 /nfs/dbraw/zinc/32/15/72/1421321572.db2.gz WFSLUBMDGRRCFM-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717378507 1421321575 /nfs/dbraw/zinc/32/15/75/1421321575.db2.gz WFSLUBMDGRRCFM-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@@H]([NH2+]CC(C)C)C(C)C)ccn12 ZINC001717512797 1421449351 /nfs/dbraw/zinc/44/93/51/1421449351.db2.gz GFXJWCKCBCAGIG-GOSISDBHSA-N 2 2 344.503 3.375 20 0 EGADLP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717531009 1421467479 /nfs/dbraw/zinc/46/74/79/1421467479.db2.gz AWRRLGMADHQAJS-KRWDZBQOSA-N 2 2 328.460 3.159 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CCCC2)C1 ZINC001733464998 1429696577 /nfs/dbraw/zinc/69/65/77/1429696577.db2.gz ZWPAFHQPASRMQS-HXUWFJFHSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CCCC2)C1 ZINC001733464998 1429696580 /nfs/dbraw/zinc/69/65/80/1429696580.db2.gz ZWPAFHQPASRMQS-HXUWFJFHSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@H](CC(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001724016908 1424630920 /nfs/dbraw/zinc/63/09/20/1424630920.db2.gz VCPBRCVJELMLFR-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCCC1CCC1 ZINC001725626688 1426293559 /nfs/dbraw/zinc/29/35/59/1426293559.db2.gz PWXPFBJDCZHQDL-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCCC1CCC1 ZINC001725626688 1426293561 /nfs/dbraw/zinc/29/35/61/1426293561.db2.gz PWXPFBJDCZHQDL-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731556801 1427584088 /nfs/dbraw/zinc/58/40/88/1427584088.db2.gz CFDCUXPYWSFJBH-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731556801 1427584095 /nfs/dbraw/zinc/58/40/95/1427584095.db2.gz CFDCUXPYWSFJBH-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1cccc(C)c1 ZINC001731873460 1428134636 /nfs/dbraw/zinc/13/46/36/1428134636.db2.gz IIDHIVCDKWOIER-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1cccc(C)c1 ZINC001731873460 1428134639 /nfs/dbraw/zinc/13/46/39/1428134639.db2.gz IIDHIVCDKWOIER-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCC1CCCC1 ZINC001734045674 1437834386 /nfs/dbraw/zinc/83/43/86/1437834386.db2.gz LGMQGONYHJEAKT-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCC1CCCC1 ZINC001734045674 1437834389 /nfs/dbraw/zinc/83/43/89/1437834389.db2.gz LGMQGONYHJEAKT-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCCC1CCC1 ZINC001734047589 1437836081 /nfs/dbraw/zinc/83/60/81/1437836081.db2.gz PEWJPOOHKPHJBO-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCCC1CCC1 ZINC001734047589 1437836082 /nfs/dbraw/zinc/83/60/82/1437836082.db2.gz PEWJPOOHKPHJBO-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734061284 1437855265 /nfs/dbraw/zinc/85/52/65/1437855265.db2.gz ZBUXFHFKFIFMCE-KLAILNCOSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734061284 1437855267 /nfs/dbraw/zinc/85/52/67/1437855267.db2.gz ZBUXFHFKFIFMCE-KLAILNCOSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001734336738 1438058828 /nfs/dbraw/zinc/05/88/28/1438058828.db2.gz JWUQDGLPVOEWLU-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001734423080 1438090761 /nfs/dbraw/zinc/09/07/61/1438090761.db2.gz VXMIBVZBHSBMDM-RDTXWAMCSA-N 2 2 342.487 3.272 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC=C(C)C)CC1 ZINC001752441189 1440181320 /nfs/dbraw/zinc/18/13/20/1440181320.db2.gz AUUSOISBNIQWRJ-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508631 1440190006 /nfs/dbraw/zinc/19/00/06/1440190006.db2.gz XHXYNNODYIGZBW-MOPGFXCFSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508631 1440190007 /nfs/dbraw/zinc/19/00/07/1440190007.db2.gz XHXYNNODYIGZBW-MOPGFXCFSA-N 2 2 346.519 3.051 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752668349 1440198751 /nfs/dbraw/zinc/19/87/51/1440198751.db2.gz AUFOLDOZXPHMPV-XMTFNYHQSA-N 2 2 340.471 3.141 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999258 1440263609 /nfs/dbraw/zinc/26/36/09/1440263609.db2.gz WQZWNYCEFDTQPI-AEFFLSMTSA-N 2 2 334.508 3.193 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999258 1440263610 /nfs/dbraw/zinc/26/36/10/1440263610.db2.gz WQZWNYCEFDTQPI-AEFFLSMTSA-N 2 2 334.508 3.193 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001753029990 1440272430 /nfs/dbraw/zinc/27/24/30/1440272430.db2.gz NDWWRZXXXXZUJC-SFHVURJKSA-N 2 2 346.519 3.254 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001753029990 1440272431 /nfs/dbraw/zinc/27/24/31/1440272431.db2.gz NDWWRZXXXXZUJC-SFHVURJKSA-N 2 2 346.519 3.254 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029366 1440272477 /nfs/dbraw/zinc/27/24/77/1440272477.db2.gz CGSXZZXPPBTDEB-HOTGVXAUSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@H](F)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753029366 1440272478 /nfs/dbraw/zinc/27/24/78/1440272478.db2.gz CGSXZZXPPBTDEB-HOTGVXAUSA-N 2 2 346.450 3.285 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001753036863 1440274804 /nfs/dbraw/zinc/27/48/04/1440274804.db2.gz ANIDTEUZUUXDGI-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001753036863 1440274805 /nfs/dbraw/zinc/27/48/05/1440274805.db2.gz ANIDTEUZUUXDGI-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129098 1440315950 /nfs/dbraw/zinc/31/59/50/1440315950.db2.gz JUKIUQPMTOGGNO-IRXDYDNUSA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129098 1440315951 /nfs/dbraw/zinc/31/59/51/1440315951.db2.gz JUKIUQPMTOGGNO-IRXDYDNUSA-N 2 2 342.487 3.068 20 0 EGADLP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366938 1440385553 /nfs/dbraw/zinc/38/55/53/1440385553.db2.gz QFMJXWLCZWLODZ-KEGWNNHHSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366938 1440385554 /nfs/dbraw/zinc/38/55/54/1440385554.db2.gz QFMJXWLCZWLODZ-KEGWNNHHSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366938 1440385555 /nfs/dbraw/zinc/38/55/55/1440385555.db2.gz QFMJXWLCZWLODZ-KEGWNNHHSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366938 1440385556 /nfs/dbraw/zinc/38/55/56/1440385556.db2.gz QFMJXWLCZWLODZ-KEGWNNHHSA-N 2 2 346.519 3.115 20 0 EGADLP CC[C@@H]([NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC001753508544 1440425198 /nfs/dbraw/zinc/42/51/98/1440425198.db2.gz NACGQNJCRTUDAU-QGZVFWFLSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001753699034 1440468041 /nfs/dbraw/zinc/46/80/41/1440468041.db2.gz PEQZLYPUGWVKBX-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCCC2)c[nH+]1 ZINC001753746072 1440481113 /nfs/dbraw/zinc/48/11/13/1440481113.db2.gz NMWALHOOGYSXNF-GOSISDBHSA-N 2 2 348.535 3.237 20 0 EGADLP CCCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001753808463 1440492271 /nfs/dbraw/zinc/49/22/71/1440492271.db2.gz WEJPKXORXVSNRL-FUHWJXTLSA-N 2 2 347.503 3.040 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753824317 1440497845 /nfs/dbraw/zinc/49/78/45/1440497845.db2.gz ZKGURWZWJSZSTN-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753824317 1440497846 /nfs/dbraw/zinc/49/78/46/1440497846.db2.gz ZKGURWZWJSZSTN-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CCCC1 ZINC001753832273 1440500050 /nfs/dbraw/zinc/50/00/50/1440500050.db2.gz KTXWHDMNPZXXAN-LJQANCHMSA-N 2 2 342.487 3.487 20 0 EGADLP CN(CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753855539 1440508468 /nfs/dbraw/zinc/50/84/68/1440508468.db2.gz BNTLZOQSXHHDES-OAGGEKHMSA-N 2 2 340.471 3.003 20 0 EGADLP CN(CC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753855539 1440508469 /nfs/dbraw/zinc/50/84/69/1440508469.db2.gz BNTLZOQSXHHDES-OAGGEKHMSA-N 2 2 340.471 3.003 20 0 EGADLP CCN(CC[NH2+]CC1CCCCCC1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001754051323 1440535830 /nfs/dbraw/zinc/53/58/30/1440535830.db2.gz GVOZFBDMGDTTRF-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cs1 ZINC001754272003 1440561453 /nfs/dbraw/zinc/56/14/53/1440561453.db2.gz NUPAVKGWLMRWEE-YOEHRIQHSA-N 2 2 348.516 3.135 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754347511 1440590056 /nfs/dbraw/zinc/59/00/56/1440590056.db2.gz ZANQITPZTVBKOV-GDBMZVCRSA-N 2 2 328.460 3.097 20 0 EGADLP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CCCCCC1 ZINC001754545868 1440627496 /nfs/dbraw/zinc/62/74/96/1440627496.db2.gz XBUKGOZDFFGTDF-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CCCCCC1 ZINC001754545868 1440627497 /nfs/dbraw/zinc/62/74/97/1440627497.db2.gz XBUKGOZDFFGTDF-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079708 1440750563 /nfs/dbraw/zinc/75/05/63/1440750563.db2.gz PMQMOPWJHAFSKN-SGSXCFNPSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C/CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079708 1440750564 /nfs/dbraw/zinc/75/05/64/1440750564.db2.gz PMQMOPWJHAFSKN-SGSXCFNPSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193602 1440775811 /nfs/dbraw/zinc/77/58/11/1440775811.db2.gz CHABFOOPSWNZFQ-INIZCTEOSA-N 2 2 342.487 3.307 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193602 1440775812 /nfs/dbraw/zinc/77/58/12/1440775812.db2.gz CHABFOOPSWNZFQ-INIZCTEOSA-N 2 2 342.487 3.307 20 0 EGADLP CC/C=C/CC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001755214033 1440783739 /nfs/dbraw/zinc/78/37/39/1440783739.db2.gz FNJZFNCEWOFQTI-VOTSOKGWSA-N 2 2 329.488 3.461 20 0 EGADLP C[C@H](F)CC[NH2+]C1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755274401 1440798489 /nfs/dbraw/zinc/79/84/89/1440798489.db2.gz AVSQNQYOIZHDCB-JEYLPNPQSA-N 2 2 346.450 3.284 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC(C)(C)C ZINC001755368877 1440836390 /nfs/dbraw/zinc/83/63/90/1440836390.db2.gz XGGRNUOPJFLAIG-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCCC(C)(C)C ZINC001755368877 1440836391 /nfs/dbraw/zinc/83/63/91/1440836391.db2.gz XGGRNUOPJFLAIG-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001755693883 1440897452 /nfs/dbraw/zinc/89/74/52/1440897452.db2.gz SHRBNOIPXLXAKF-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001755701009 1440899961 /nfs/dbraw/zinc/89/99/61/1440899961.db2.gz LRXPRMPXWQFOOH-IMFGXOCKSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001755701009 1440899962 /nfs/dbraw/zinc/89/99/62/1440899962.db2.gz LRXPRMPXWQFOOH-IMFGXOCKSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001755701009 1440899963 /nfs/dbraw/zinc/89/99/63/1440899963.db2.gz LRXPRMPXWQFOOH-IMFGXOCKSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001755701009 1440899964 /nfs/dbraw/zinc/89/99/64/1440899964.db2.gz LRXPRMPXWQFOOH-IMFGXOCKSA-N 2 2 346.519 3.138 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755833741 1440929590 /nfs/dbraw/zinc/92/95/90/1440929590.db2.gz OWVXMRUJRWTPDE-MSOLQXFVSA-N 2 2 342.487 3.224 20 0 EGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810053 720123034 /nfs/dbraw/zinc/12/30/34/720123034.db2.gz JLPTYXHCBVTAPS-FPOVZHCZSA-N 2 2 343.515 3.390 20 0 EGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810053 720123041 /nfs/dbraw/zinc/12/30/41/720123041.db2.gz JLPTYXHCBVTAPS-FPOVZHCZSA-N 2 2 343.515 3.390 20 0 EGADLP COc1cc(C)c[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862752 720987948 /nfs/dbraw/zinc/98/79/48/720987948.db2.gz UHFLXQWSNNXFAQ-OAHLLOKOSA-N 2 2 343.475 3.017 20 0 EGADLP COc1cc(C)c[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164862752 720987960 /nfs/dbraw/zinc/98/79/60/720987960.db2.gz UHFLXQWSNNXFAQ-OAHLLOKOSA-N 2 2 343.475 3.017 20 0 EGADLP c1cc(N2CCCCC2)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165050430 721973107 /nfs/dbraw/zinc/97/31/07/721973107.db2.gz XRAZQAFFAIONNH-SFHVURJKSA-N 2 2 343.519 3.312 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459627 548023257 /nfs/dbraw/zinc/02/32/57/548023257.db2.gz AESXPQLTAQLMFP-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459627 548023262 /nfs/dbraw/zinc/02/32/62/548023262.db2.gz AESXPQLTAQLMFP-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cscc2Br)C1 ZINC000520459627 548023265 /nfs/dbraw/zinc/02/32/65/548023265.db2.gz AESXPQLTAQLMFP-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cscc2Br)C1 ZINC000520459627 548023270 /nfs/dbraw/zinc/02/32/70/548023270.db2.gz AESXPQLTAQLMFP-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC([NH2+]C(C)C)CC3)cc(=O)oc2c1 ZINC000171691354 529730922 /nfs/dbraw/zinc/73/09/22/529730922.db2.gz OBOLORXFBMSHAV-UHFFFAOYSA-N 2 2 328.456 3.318 20 0 EGADLP C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)C[C@H]1CCC[NH+](C)C1 ZINC000154180026 530018543 /nfs/dbraw/zinc/01/85/43/530018543.db2.gz VSDCOTPYZVIBOA-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)C[C@H]1CCC[NH+](C)C1 ZINC000154180026 530018544 /nfs/dbraw/zinc/01/85/44/530018544.db2.gz VSDCOTPYZVIBOA-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2c(F)cccc2F)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000154180026 530018545 /nfs/dbraw/zinc/01/85/45/530018545.db2.gz VSDCOTPYZVIBOA-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2c(F)cccc2F)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000154180026 530018546 /nfs/dbraw/zinc/01/85/46/530018546.db2.gz VSDCOTPYZVIBOA-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422894 530064407 /nfs/dbraw/zinc/06/44/07/530064407.db2.gz DAUMQVJKAGWXEJ-JQFCIGGWSA-N 2 2 342.405 3.155 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422894 530064408 /nfs/dbraw/zinc/06/44/08/530064408.db2.gz DAUMQVJKAGWXEJ-JQFCIGGWSA-N 2 2 342.405 3.155 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422894 530064409 /nfs/dbraw/zinc/06/44/09/530064409.db2.gz DAUMQVJKAGWXEJ-JQFCIGGWSA-N 2 2 342.405 3.155 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422894 530064410 /nfs/dbraw/zinc/06/44/10/530064410.db2.gz DAUMQVJKAGWXEJ-JQFCIGGWSA-N 2 2 342.405 3.155 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nc(-c3cccs3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000177909475 232028819 /nfs/dbraw/zinc/02/88/19/232028819.db2.gz OFKYYHBCIYKHCY-OLZOCXBDSA-N 2 2 329.429 3.078 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000177909475 232028822 /nfs/dbraw/zinc/02/88/22/232028822.db2.gz OFKYYHBCIYKHCY-OLZOCXBDSA-N 2 2 329.429 3.078 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178208618 232108507 /nfs/dbraw/zinc/10/85/07/232108507.db2.gz CMFMWASSEIUTHI-KRWDZBQOSA-N 2 2 344.503 3.045 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178208618 232108510 /nfs/dbraw/zinc/10/85/10/232108510.db2.gz CMFMWASSEIUTHI-KRWDZBQOSA-N 2 2 344.503 3.045 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000102421602 219202523 /nfs/dbraw/zinc/20/25/23/219202523.db2.gz CLVHKQYSIARBCG-CHMLTUNVSA-N 2 2 336.479 3.099 20 0 EGADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000102421602 219202525 /nfs/dbraw/zinc/20/25/25/219202525.db2.gz CLVHKQYSIARBCG-CHMLTUNVSA-N 2 2 336.479 3.099 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000361216047 283353578 /nfs/dbraw/zinc/35/35/78/283353578.db2.gz LHHOPBFORXVINA-ZWKOTPCHSA-N 2 2 349.906 3.037 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000361216047 283353581 /nfs/dbraw/zinc/35/35/81/283353581.db2.gz LHHOPBFORXVINA-ZWKOTPCHSA-N 2 2 349.906 3.037 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859158 216318076 /nfs/dbraw/zinc/31/80/76/216318076.db2.gz VYVVGHFEGMESFJ-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859158 216318078 /nfs/dbraw/zinc/31/80/78/216318078.db2.gz VYVVGHFEGMESFJ-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859158 216318082 /nfs/dbraw/zinc/31/80/82/216318082.db2.gz VYVVGHFEGMESFJ-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859158 216318084 /nfs/dbraw/zinc/31/80/84/216318084.db2.gz VYVVGHFEGMESFJ-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000266115783 248106587 /nfs/dbraw/zinc/10/65/87/248106587.db2.gz IAQUBTJSPWRYQZ-HNNXBMFYSA-N 2 2 331.504 3.385 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)cc(=O)oc2c1 ZINC000377236707 169000382 /nfs/dbraw/zinc/00/03/82/169000382.db2.gz GFOHFSSWVDXZPA-UHFFFAOYSA-N 2 2 340.467 3.416 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4C)CC3)cc(=O)oc2c1 ZINC000377236707 169000383 /nfs/dbraw/zinc/00/03/83/169000383.db2.gz GFOHFSSWVDXZPA-UHFFFAOYSA-N 2 2 340.467 3.416 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc([C@H](C)O)s2)CC1 ZINC000377541204 169038928 /nfs/dbraw/zinc/03/89/28/169038928.db2.gz LCTKLGJPXYCFBE-HNNXBMFYSA-N 2 2 345.512 3.259 20 0 EGADLP O=C(c1ccc2[nH+]ccn2c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359796074 284692734 /nfs/dbraw/zinc/69/27/34/284692734.db2.gz QAFGBRFTGPBZPG-UHFFFAOYSA-N 2 2 340.471 3.205 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000093371787 218219733 /nfs/dbraw/zinc/21/97/33/218219733.db2.gz OIOVVWUCIPBOFU-MRXNPFEDSA-N 2 2 330.501 3.006 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742219 218244929 /nfs/dbraw/zinc/24/49/29/218244929.db2.gz ZFQNHKHBZBYCMQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742219 218244931 /nfs/dbraw/zinc/24/49/31/218244931.db2.gz ZFQNHKHBZBYCMQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742219 218244933 /nfs/dbraw/zinc/24/49/33/218244933.db2.gz ZFQNHKHBZBYCMQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742219 218244935 /nfs/dbraw/zinc/24/49/35/218244935.db2.gz ZFQNHKHBZBYCMQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602635 252058605 /nfs/dbraw/zinc/05/86/05/252058605.db2.gz XRKWOPSPEQODKU-SFHVURJKSA-N 2 2 345.487 3.068 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602635 252058608 /nfs/dbraw/zinc/05/86/08/252058608.db2.gz XRKWOPSPEQODKU-SFHVURJKSA-N 2 2 345.487 3.068 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602635 252058610 /nfs/dbraw/zinc/05/86/10/252058610.db2.gz XRKWOPSPEQODKU-SFHVURJKSA-N 2 2 345.487 3.068 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602635 252058613 /nfs/dbraw/zinc/05/86/13/252058613.db2.gz XRKWOPSPEQODKU-SFHVURJKSA-N 2 2 345.487 3.068 20 0 EGADLP c1ccc(N2CCC([NH2+]CCc3nc4ccccc4s3)CC2)[nH+]c1 ZINC000268709664 252160791 /nfs/dbraw/zinc/16/07/91/252160791.db2.gz DISCLDJLTDGEPG-UHFFFAOYSA-N 2 2 338.480 3.492 20 0 EGADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268859783 252308510 /nfs/dbraw/zinc/30/85/10/252308510.db2.gz JDNFFAJSGWTORT-PKOBYXMFSA-N 2 2 333.520 3.150 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154826368 224312058 /nfs/dbraw/zinc/31/20/58/224312058.db2.gz KXRUDJPRCXRNIF-CYBMUJFWSA-N 2 2 346.393 3.347 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246990708 141047868 /nfs/dbraw/zinc/04/78/68/141047868.db2.gz OFHCFSGTMJOIHE-KURKYZTESA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246990708 141047869 /nfs/dbraw/zinc/04/78/69/141047869.db2.gz OFHCFSGTMJOIHE-KURKYZTESA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246990708 141047870 /nfs/dbraw/zinc/04/78/70/141047870.db2.gz OFHCFSGTMJOIHE-KURKYZTESA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246990708 141047871 /nfs/dbraw/zinc/04/78/71/141047871.db2.gz OFHCFSGTMJOIHE-KURKYZTESA-N 2 2 335.536 3.020 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)c[nH+]c12 ZINC000339500505 141123846 /nfs/dbraw/zinc/12/38/46/141123846.db2.gz ACWTUEOAAOVCSG-LFVRLGFBSA-N 2 2 327.453 3.231 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000339542339 141128390 /nfs/dbraw/zinc/12/83/90/141128390.db2.gz CEYOCXTVVWEGSK-IBGZPJMESA-N 2 2 344.886 3.157 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000339542339 141128391 /nfs/dbraw/zinc/12/83/91/141128391.db2.gz CEYOCXTVVWEGSK-IBGZPJMESA-N 2 2 344.886 3.157 20 0 EGADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000346619803 141205816 /nfs/dbraw/zinc/20/58/16/141205816.db2.gz DVFANFZYLVUUEO-LSDHHAIUSA-N 2 2 341.459 3.034 20 0 EGADLP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000346619803 141205820 /nfs/dbraw/zinc/20/58/20/141205820.db2.gz DVFANFZYLVUUEO-LSDHHAIUSA-N 2 2 341.459 3.034 20 0 EGADLP CC[N@H+](Cc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1)C1CC1 ZINC000357968919 141370559 /nfs/dbraw/zinc/37/05/59/141370559.db2.gz DLHVAKUZRXTOSG-UHFFFAOYSA-N 2 2 337.427 3.045 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000359620213 141388256 /nfs/dbraw/zinc/38/82/56/141388256.db2.gz QHAVNHQEGSMKQM-KRWDZBQOSA-N 2 2 341.503 3.411 20 0 EGADLP Cn1cc([C@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2cccc(F)c2)cn1 ZINC000183954773 144082513 /nfs/dbraw/zinc/08/25/13/144082513.db2.gz MFYQINJLHJFLSY-LJQANCHMSA-N 2 2 344.478 3.360 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000184729376 144098115 /nfs/dbraw/zinc/09/81/15/144098115.db2.gz KWWUNUWEAVKUNQ-INIZCTEOSA-N 2 2 343.471 3.282 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000184729376 144098117 /nfs/dbraw/zinc/09/81/17/144098117.db2.gz KWWUNUWEAVKUNQ-INIZCTEOSA-N 2 2 343.471 3.282 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC000185200934 144106501 /nfs/dbraw/zinc/10/65/01/144106501.db2.gz MACWWECZNZNETM-VQTJNVASSA-N 2 2 346.515 3.201 20 0 EGADLP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1F ZINC000192669878 144177789 /nfs/dbraw/zinc/17/77/89/144177789.db2.gz XQGMQWBTVVGGEL-UHFFFAOYSA-N 2 2 326.375 3.013 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344621600 144200363 /nfs/dbraw/zinc/20/03/63/144200363.db2.gz GHEBXGMYPWVGOF-GUYCJALGSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344621600 144200364 /nfs/dbraw/zinc/20/03/64/144200364.db2.gz GHEBXGMYPWVGOF-GUYCJALGSA-N 2 2 332.879 3.406 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516316 144273285 /nfs/dbraw/zinc/27/32/85/144273285.db2.gz XKKYSYQJOYLUCJ-FCHUYYIVSA-N 2 2 336.479 3.241 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516316 144273287 /nfs/dbraw/zinc/27/32/87/144273287.db2.gz XKKYSYQJOYLUCJ-FCHUYYIVSA-N 2 2 336.479 3.241 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516316 144273291 /nfs/dbraw/zinc/27/32/91/144273291.db2.gz XKKYSYQJOYLUCJ-FCHUYYIVSA-N 2 2 336.479 3.241 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C3CC3)cc2)cs1 ZINC000351571642 144281575 /nfs/dbraw/zinc/28/15/75/144281575.db2.gz AGWYQICKLBRIEV-ACJLOTCBSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)cc2)cs1 ZINC000351571642 144281577 /nfs/dbraw/zinc/28/15/77/144281577.db2.gz AGWYQICKLBRIEV-ACJLOTCBSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1cccc(C[N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000351884307 144320237 /nfs/dbraw/zinc/32/02/37/144320237.db2.gz XKEVCXBFMKADOC-UHFFFAOYSA-N 2 2 338.499 3.034 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000363757293 144362881 /nfs/dbraw/zinc/36/28/81/144362881.db2.gz LEMLFZOZEAOARF-UKRRQHHQSA-N 2 2 344.434 3.215 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000363758502 144363200 /nfs/dbraw/zinc/36/32/00/144363200.db2.gz QKPUOBCGUFRXBP-QGZVFWFLSA-N 2 2 344.890 3.175 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000363940070 144378604 /nfs/dbraw/zinc/37/86/04/144378604.db2.gz RUMWOMWZQJZHCD-PXNSSMCTSA-N 2 2 349.482 3.481 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000364066002 144389005 /nfs/dbraw/zinc/38/90/05/144389005.db2.gz LSQVXGAEFDAWLJ-MBPVOVBZSA-N 2 2 328.500 3.302 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000364066002 144389007 /nfs/dbraw/zinc/38/90/07/144389007.db2.gz LSQVXGAEFDAWLJ-MBPVOVBZSA-N 2 2 328.500 3.302 20 0 EGADLP COC1(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCCC1 ZINC000359737154 292121263 /nfs/dbraw/zinc/12/12/63/292121263.db2.gz RVFBLJFBBRTSBP-SFHVURJKSA-N 2 2 346.515 3.435 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806021 549335358 /nfs/dbraw/zinc/33/53/58/549335358.db2.gz UMLLMMCVSVDHHO-MJGOQNOKSA-N 2 2 338.499 3.440 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806021 549335361 /nfs/dbraw/zinc/33/53/61/549335361.db2.gz UMLLMMCVSVDHHO-MJGOQNOKSA-N 2 2 338.499 3.440 20 0 EGADLP Clc1cc2c(c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000341145528 155189925 /nfs/dbraw/zinc/18/99/25/155189925.db2.gz XMAMQSPXWFBGMZ-QGZVFWFLSA-N 2 2 330.815 3.323 20 0 EGADLP Clc1cc2c(c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000341145528 155189926 /nfs/dbraw/zinc/18/99/26/155189926.db2.gz XMAMQSPXWFBGMZ-QGZVFWFLSA-N 2 2 330.815 3.323 20 0 EGADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341388012 155263814 /nfs/dbraw/zinc/26/38/14/155263814.db2.gz OGUKTAKVTVGLIE-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000117769967 152114785 /nfs/dbraw/zinc/11/47/85/152114785.db2.gz WQQBNZITHFTUNP-HXUWFJFHSA-N 2 2 348.450 3.213 20 0 EGADLP COc1cccc(Cl)c1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000118447671 152141278 /nfs/dbraw/zinc/14/12/78/152141278.db2.gz BAEJOZRJMCWEHU-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841383 152157122 /nfs/dbraw/zinc/15/71/22/152157122.db2.gz XSNNVAPWNBGETJ-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841383 152157125 /nfs/dbraw/zinc/15/71/25/152157125.db2.gz XSNNVAPWNBGETJ-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841383 152157129 /nfs/dbraw/zinc/15/71/29/152157129.db2.gz XSNNVAPWNBGETJ-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841383 152157134 /nfs/dbraw/zinc/15/71/34/152157134.db2.gz XSNNVAPWNBGETJ-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP Cc1ccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000119514148 152211409 /nfs/dbraw/zinc/21/14/09/152211409.db2.gz FUYIAPSVXXLEMK-UHFFFAOYSA-N 2 2 330.395 3.174 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CSCCc3ccccc32)C[C@@H](C)O1 ZINC000119956454 152239983 /nfs/dbraw/zinc/23/99/83/152239983.db2.gz XSKAVRUVGBPRIK-GPMSIDNRSA-N 2 2 334.529 3.106 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120668144 152292184 /nfs/dbraw/zinc/29/21/84/152292184.db2.gz UFVAMRMMJBAYDM-OWCLPIDISA-N 2 2 342.487 3.112 20 0 EGADLP CCc1ccc([C@H](CNC(=O)Nc2cc[nH+]cc2C)[NH+](C)C)cc1 ZINC000121757913 152369764 /nfs/dbraw/zinc/36/97/64/152369764.db2.gz CUJAWVMXUGVSHW-SFHVURJKSA-N 2 2 326.444 3.377 20 0 EGADLP CCOC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000189244741 153059938 /nfs/dbraw/zinc/05/99/38/153059938.db2.gz OGJCWGQFJNCAMK-KTLDDFEXSA-N 2 2 331.504 3.087 20 0 EGADLP CCOC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000189244741 153059942 /nfs/dbraw/zinc/05/99/42/153059942.db2.gz OGJCWGQFJNCAMK-KTLDDFEXSA-N 2 2 331.504 3.087 20 0 EGADLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000189379070 153067660 /nfs/dbraw/zinc/06/76/60/153067660.db2.gz LCIIFKXBSLAWPB-HXUWFJFHSA-N 2 2 337.467 3.468 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192042646 153239149 /nfs/dbraw/zinc/23/91/49/153239149.db2.gz NFXQIYUBUPEIDR-IBGZPJMESA-N 3 2 338.499 3.489 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192042646 153239155 /nfs/dbraw/zinc/23/91/55/153239155.db2.gz NFXQIYUBUPEIDR-IBGZPJMESA-N 3 2 338.499 3.489 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917329 153266191 /nfs/dbraw/zinc/26/61/91/153266191.db2.gz MHBAYGYCWDFPKM-INIZCTEOSA-N 2 2 346.906 3.248 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192917329 153266193 /nfs/dbraw/zinc/26/61/93/153266193.db2.gz MHBAYGYCWDFPKM-INIZCTEOSA-N 2 2 346.906 3.248 20 0 EGADLP Cc1ccc([C@H](CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000195011057 153371507 /nfs/dbraw/zinc/37/15/07/153371507.db2.gz FOAYKANJSPVLMT-RBUKOAKNSA-N 2 2 335.455 3.095 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000310250956 154142103 /nfs/dbraw/zinc/14/21/03/154142103.db2.gz KKCRSRXTLIQTQG-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000310250956 154142106 /nfs/dbraw/zinc/14/21/06/154142106.db2.gz KKCRSRXTLIQTQG-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000310250956 154142110 /nfs/dbraw/zinc/14/21/10/154142110.db2.gz KKCRSRXTLIQTQG-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000310250956 154142112 /nfs/dbraw/zinc/14/21/12/154142112.db2.gz KKCRSRXTLIQTQG-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000311219571 154146491 /nfs/dbraw/zinc/14/64/91/154146491.db2.gz UDFUQNHKRQTHFZ-FQEVSTJZSA-N 2 2 342.439 3.068 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000311219571 154146494 /nfs/dbraw/zinc/14/64/94/154146494.db2.gz UDFUQNHKRQTHFZ-FQEVSTJZSA-N 2 2 342.439 3.068 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311562981 154148427 /nfs/dbraw/zinc/14/84/27/154148427.db2.gz YLTOIAXMZDDKNK-FQEVSTJZSA-N 2 2 346.478 3.484 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311562981 154148429 /nfs/dbraw/zinc/14/84/29/154148429.db2.gz YLTOIAXMZDDKNK-FQEVSTJZSA-N 2 2 346.478 3.484 20 0 EGADLP CCN(CC)c1ccc(NC2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000324914745 154177279 /nfs/dbraw/zinc/17/72/79/154177279.db2.gz YCZZQFZPLVLPFJ-UHFFFAOYSA-N 2 2 325.460 3.404 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000333008414 154203792 /nfs/dbraw/zinc/20/37/92/154203792.db2.gz SSNCSNSITJXELC-IRXDYDNUSA-N 2 2 347.507 3.014 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000333008414 154203796 /nfs/dbraw/zinc/20/37/96/154203796.db2.gz SSNCSNSITJXELC-IRXDYDNUSA-N 2 2 347.507 3.014 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)oc1C ZINC000337449261 154359061 /nfs/dbraw/zinc/35/90/61/154359061.db2.gz HITNZPOFALULIB-VDGAXYAQSA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)oc1C ZINC000337449261 154359064 /nfs/dbraw/zinc/35/90/64/154359064.db2.gz HITNZPOFALULIB-VDGAXYAQSA-N 2 2 342.483 3.430 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000337558931 154415941 /nfs/dbraw/zinc/41/59/41/154415941.db2.gz UBASNUKKSLOPTD-DLBZAZTESA-N 2 2 339.430 3.186 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000339908175 155027072 /nfs/dbraw/zinc/02/70/72/155027072.db2.gz VJZWUIKRMIWKJS-CQSZACIVSA-N 2 2 339.361 3.351 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000339908175 155027075 /nfs/dbraw/zinc/02/70/75/155027075.db2.gz VJZWUIKRMIWKJS-CQSZACIVSA-N 2 2 339.361 3.351 20 0 EGADLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974953 156226884 /nfs/dbraw/zinc/22/68/84/156226884.db2.gz CNQOMFZVXJXBSB-FPOVZHCZSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974953 156226889 /nfs/dbraw/zinc/22/68/89/156226889.db2.gz CNQOMFZVXJXBSB-FPOVZHCZSA-N 2 2 339.483 3.149 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994025 156235268 /nfs/dbraw/zinc/23/52/68/156235268.db2.gz BCEXEGLFDRTPGV-HUUCEWRRSA-N 2 2 331.485 3.281 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994025 156235270 /nfs/dbraw/zinc/23/52/70/156235270.db2.gz BCEXEGLFDRTPGV-HUUCEWRRSA-N 2 2 331.485 3.281 20 0 EGADLP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]c(C)c2)[NH+]2CCCC2)cc1 ZINC000348848780 156261683 /nfs/dbraw/zinc/26/16/83/156261683.db2.gz OAKWEQGLUCTCQX-IBGZPJMESA-N 2 2 338.455 3.079 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349153985 156369769 /nfs/dbraw/zinc/36/97/69/156369769.db2.gz TVSWCNJWQUOYRG-LJQANCHMSA-N 2 2 349.482 3.271 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000365618251 157193277 /nfs/dbraw/zinc/19/32/77/157193277.db2.gz AALAHFDQDIOFNV-CYBMUJFWSA-N 2 2 337.826 3.471 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000365618251 157193280 /nfs/dbraw/zinc/19/32/80/157193280.db2.gz AALAHFDQDIOFNV-CYBMUJFWSA-N 2 2 337.826 3.471 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000093597039 162017543 /nfs/dbraw/zinc/01/75/43/162017543.db2.gz XDXBXCQWRINZSB-AWEZNQCLSA-N 2 2 328.378 3.345 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000093597039 162017546 /nfs/dbraw/zinc/01/75/46/162017546.db2.gz XDXBXCQWRINZSB-AWEZNQCLSA-N 2 2 328.378 3.345 20 0 EGADLP CN(CC[NH+]1CCCC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112635294 162183456 /nfs/dbraw/zinc/18/34/56/162183456.db2.gz ZRRVNHRWBBNXGI-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC(F)(F)F ZINC000124408733 162259362 /nfs/dbraw/zinc/25/93/62/162259362.db2.gz WVUZHRSBZLMMFS-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC(F)(F)F ZINC000124408733 162259370 /nfs/dbraw/zinc/25/93/70/162259370.db2.gz WVUZHRSBZLMMFS-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP COCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000125631536 162281652 /nfs/dbraw/zinc/28/16/52/162281652.db2.gz VFVJXDDXJSOCEI-UHFFFAOYSA-N 2 2 328.456 3.489 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000126406506 162302709 /nfs/dbraw/zinc/30/27/09/162302709.db2.gz QTHMRFFSSOZAMA-UHFFFAOYSA-N 2 2 343.446 3.026 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCCn2cccn2)CC1 ZINC000127025754 162319666 /nfs/dbraw/zinc/31/96/66/162319666.db2.gz STSYTVDKAJOPAM-UHFFFAOYSA-N 2 2 332.879 3.181 20 0 EGADLP COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)cc1OC ZINC000131027967 162387766 /nfs/dbraw/zinc/38/77/66/162387766.db2.gz IZMVPKWQDYWZEG-SFHVURJKSA-N 2 2 343.471 3.388 20 0 EGADLP COc1ccc(CC[C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)cc1OC ZINC000131027967 162387769 /nfs/dbraw/zinc/38/77/69/162387769.db2.gz IZMVPKWQDYWZEG-SFHVURJKSA-N 2 2 343.471 3.388 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248397290 163000095 /nfs/dbraw/zinc/00/00/95/163000095.db2.gz HUJGNBVRPITSPP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248397290 163000098 /nfs/dbraw/zinc/00/00/98/163000098.db2.gz HUJGNBVRPITSPP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248397290 163000101 /nfs/dbraw/zinc/00/01/01/163000101.db2.gz HUJGNBVRPITSPP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248397290 163000106 /nfs/dbraw/zinc/00/01/06/163000106.db2.gz HUJGNBVRPITSPP-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995625 163050743 /nfs/dbraw/zinc/05/07/43/163050743.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995625 163050746 /nfs/dbraw/zinc/05/07/46/163050746.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995625 163050748 /nfs/dbraw/zinc/05/07/48/163050748.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995625 163050750 /nfs/dbraw/zinc/05/07/50/163050750.db2.gz OXUBBIYHNBLJFJ-HHXCZETCSA-N 3 2 327.516 3.254 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccco1 ZINC000249064317 163054565 /nfs/dbraw/zinc/05/45/65/163054565.db2.gz ZCBHXYWMGPPFCP-WCIQWLHISA-N 2 2 340.467 3.203 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccco1 ZINC000249064317 163054567 /nfs/dbraw/zinc/05/45/67/163054567.db2.gz ZCBHXYWMGPPFCP-WCIQWLHISA-N 2 2 340.467 3.203 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000337066373 163120019 /nfs/dbraw/zinc/12/00/19/163120019.db2.gz KCEHGRNRGONYRB-RBUKOAKNSA-N 2 2 348.450 3.096 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000337066373 163120021 /nfs/dbraw/zinc/12/00/21/163120021.db2.gz KCEHGRNRGONYRB-RBUKOAKNSA-N 2 2 348.450 3.096 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269746 163188875 /nfs/dbraw/zinc/18/88/75/163188875.db2.gz MANSDNLDQOYPSD-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269746 163188876 /nfs/dbraw/zinc/18/88/76/163188876.db2.gz MANSDNLDQOYPSD-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c[nH+]1 ZINC000354353880 166007669 /nfs/dbraw/zinc/00/76/69/166007669.db2.gz WJMMNHLHCNCEPI-KRWDZBQOSA-N 2 2 343.858 3.371 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)c[nH+]1 ZINC000354475600 166014493 /nfs/dbraw/zinc/01/44/93/166014493.db2.gz KVIZJHBTWQCPKY-SFHVURJKSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC000153155688 287035457 /nfs/dbraw/zinc/03/54/57/287035457.db2.gz LPBXSLHHGAMLRE-NWDGAFQWSA-N 2 2 347.322 3.130 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000344004992 164080870 /nfs/dbraw/zinc/08/08/70/164080870.db2.gz YVVXVVIZIZDVAD-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000344004992 164080871 /nfs/dbraw/zinc/08/08/71/164080871.db2.gz YVVXVVIZIZDVAD-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000344111147 164105641 /nfs/dbraw/zinc/10/56/41/164105641.db2.gz UPXCOUMJWVQHKM-MSOLQXFVSA-N 2 2 331.504 3.093 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000344111147 164105642 /nfs/dbraw/zinc/10/56/42/164105642.db2.gz UPXCOUMJWVQHKM-MSOLQXFVSA-N 2 2 331.504 3.093 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296386 164149125 /nfs/dbraw/zinc/14/91/25/164149125.db2.gz MCFNGPTWOVJKJK-GGPKGHCWSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296386 164149127 /nfs/dbraw/zinc/14/91/27/164149127.db2.gz MCFNGPTWOVJKJK-GGPKGHCWSA-N 2 2 330.516 3.285 20 0 EGADLP CSc1cc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccn1 ZINC000344306613 164151334 /nfs/dbraw/zinc/15/13/34/164151334.db2.gz PYKSUPJUEYSKHZ-UHFFFAOYSA-N 2 2 348.541 3.316 20 0 EGADLP CSc1cc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)ccn1 ZINC000344306613 164151335 /nfs/dbraw/zinc/15/13/35/164151335.db2.gz PYKSUPJUEYSKHZ-UHFFFAOYSA-N 2 2 348.541 3.316 20 0 EGADLP COC(=O)c1occc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000344606249 164198968 /nfs/dbraw/zinc/19/89/68/164198968.db2.gz TWASGQWZYBDOGV-OAHLLOKOSA-N 2 2 330.428 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000344606249 164198970 /nfs/dbraw/zinc/19/89/70/164198970.db2.gz TWASGQWZYBDOGV-OAHLLOKOSA-N 2 2 330.428 3.066 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000346080531 164332063 /nfs/dbraw/zinc/33/20/63/164332063.db2.gz DDAYOLSZRVMPBZ-INIZCTEOSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000346080531 164332067 /nfs/dbraw/zinc/33/20/67/164332067.db2.gz DDAYOLSZRVMPBZ-INIZCTEOSA-N 2 2 339.439 3.231 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000346096103 164335582 /nfs/dbraw/zinc/33/55/82/164335582.db2.gz OXISIWVCPFRFMB-SFHVURJKSA-N 2 2 325.456 3.201 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000346096103 164335583 /nfs/dbraw/zinc/33/55/83/164335583.db2.gz OXISIWVCPFRFMB-SFHVURJKSA-N 2 2 325.456 3.201 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000352190512 165275882 /nfs/dbraw/zinc/27/58/82/165275882.db2.gz OCXBYSQQTZOYPO-KRWDZBQOSA-N 2 2 330.476 3.018 20 0 EGADLP Cc1cccnc1C(C)(C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353562908 165806234 /nfs/dbraw/zinc/80/62/34/165806234.db2.gz SOYPMYWPXGWBGA-UHFFFAOYSA-N 2 2 338.499 3.317 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000355599278 166256930 /nfs/dbraw/zinc/25/69/30/166256930.db2.gz NJXVDBGJZIRVKB-LBPRGKRZSA-N 2 2 328.441 3.408 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2c1 ZINC000355599278 166256932 /nfs/dbraw/zinc/25/69/32/166256932.db2.gz NJXVDBGJZIRVKB-LBPRGKRZSA-N 2 2 328.441 3.408 20 0 EGADLP Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cc[nH+]c(C)c3Cl)CC2)no1 ZINC000355660991 166276832 /nfs/dbraw/zinc/27/68/32/166276832.db2.gz XLZNOXVHDNWBPR-AWEZNQCLSA-N 2 2 349.866 3.226 20 0 EGADLP Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cc[nH+]c(C)c3Cl)CC2)no1 ZINC000355660991 166276834 /nfs/dbraw/zinc/27/68/34/166276834.db2.gz XLZNOXVHDNWBPR-AWEZNQCLSA-N 2 2 349.866 3.226 20 0 EGADLP Cc1ccc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000358088657 166831745 /nfs/dbraw/zinc/83/17/45/166831745.db2.gz QDYCAVVKHNQKFT-UHFFFAOYSA-N 2 2 325.456 3.023 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000360236023 167278544 /nfs/dbraw/zinc/27/85/44/167278544.db2.gz YPBUINGVYZWVCM-FQEVSTJZSA-N 2 2 325.456 3.023 20 0 EGADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1O ZINC000365828999 168049034 /nfs/dbraw/zinc/04/90/34/168049034.db2.gz HHLMJMDQEASROO-UHFFFAOYSA-N 2 2 328.412 3.148 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218722 168095225 /nfs/dbraw/zinc/09/52/25/168095225.db2.gz MJDYMRKYCBVIEL-XIRDDKMYSA-N 2 2 340.414 3.192 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000366253999 168098983 /nfs/dbraw/zinc/09/89/83/168098983.db2.gz XOSYNQXXJZQADZ-HNNXBMFYSA-N 2 2 339.418 3.125 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000366253999 168098984 /nfs/dbraw/zinc/09/89/84/168098984.db2.gz XOSYNQXXJZQADZ-HNNXBMFYSA-N 2 2 339.418 3.125 20 0 EGADLP C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030483 168170395 /nfs/dbraw/zinc/17/03/95/168170395.db2.gz QSFDFKFAPPWDSU-XLIONFOSSA-N 2 2 349.950 3.230 20 0 EGADLP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030483 168170396 /nfs/dbraw/zinc/17/03/96/168170396.db2.gz QSFDFKFAPPWDSU-XLIONFOSSA-N 2 2 349.950 3.230 20 0 EGADLP CC(C)c1cc(N2CC[NH+](C3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000367140431 168184185 /nfs/dbraw/zinc/18/41/85/168184185.db2.gz NDJGQLRNQRPTOG-UHFFFAOYSA-N 2 2 332.492 3.024 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nc2c(s1)CCCC2 ZINC000367383001 168218347 /nfs/dbraw/zinc/21/83/47/168218347.db2.gz AOBOMBRDBHLRLQ-CYBMUJFWSA-N 2 2 330.501 3.448 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437853 168225947 /nfs/dbraw/zinc/22/59/47/168225947.db2.gz JZGRYNVNUPLGEF-HOCLYGCPSA-N 2 2 348.491 3.002 20 0 EGADLP COc1ncc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000367438805 168226112 /nfs/dbraw/zinc/22/61/12/168226112.db2.gz PIOVEGOAZAXPME-LBPRGKRZSA-N 2 2 334.851 3.170 20 0 EGADLP C[C@@H](CCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367697581 168259640 /nfs/dbraw/zinc/25/96/40/168259640.db2.gz LTTMCPBKVOAWPW-OHSMVPPVSA-N 2 2 349.563 3.409 20 0 EGADLP C[C@@H](CCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367697581 168259642 /nfs/dbraw/zinc/25/96/42/168259642.db2.gz LTTMCPBKVOAWPW-OHSMVPPVSA-N 2 2 349.563 3.409 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1Cl ZINC000367865154 168277363 /nfs/dbraw/zinc/27/73/63/168277363.db2.gz QQVXRENKPGJJQY-PBHICJAKSA-N 2 2 336.794 3.061 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1Cl ZINC000367865154 168277364 /nfs/dbraw/zinc/27/73/64/168277364.db2.gz QQVXRENKPGJJQY-PBHICJAKSA-N 2 2 336.794 3.061 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000159114081 225150278 /nfs/dbraw/zinc/15/02/78/225150278.db2.gz JTTPANSBOFWWDB-AWEZNQCLSA-N 2 2 342.430 3.440 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000122320309 222060439 /nfs/dbraw/zinc/06/04/39/222060439.db2.gz IMTDUECENJJTIX-HOTGVXAUSA-N 2 2 348.491 3.309 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000174217081 265033496 /nfs/dbraw/zinc/03/34/96/265033496.db2.gz INMXBXFBNJGSPK-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000174217081 265033498 /nfs/dbraw/zinc/03/34/98/265033498.db2.gz INMXBXFBNJGSPK-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507133 265322406 /nfs/dbraw/zinc/32/24/06/265322406.db2.gz TVZVBVYIBJAWPN-ZETOZRRWSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507133 265322409 /nfs/dbraw/zinc/32/24/09/265322409.db2.gz TVZVBVYIBJAWPN-ZETOZRRWSA-N 2 2 329.257 3.407 20 0 EGADLP Clc1ccc(/C=C/C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179416357 265377918 /nfs/dbraw/zinc/37/79/18/265377918.db2.gz JVVFHBBVLTYZRF-ZDBPOJEVSA-N 2 2 334.891 3.397 20 0 EGADLP Clc1ccc(/C=C/C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000179416357 265377921 /nfs/dbraw/zinc/37/79/21/265377921.db2.gz JVVFHBBVLTYZRF-ZDBPOJEVSA-N 2 2 334.891 3.397 20 0 EGADLP C=Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000194074110 266088436 /nfs/dbraw/zinc/08/84/36/266088436.db2.gz AFFYTQIMCHREJG-RTWAWAEBSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000194074110 266088437 /nfs/dbraw/zinc/08/84/37/266088437.db2.gz AFFYTQIMCHREJG-RTWAWAEBSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000194074110 266088438 /nfs/dbraw/zinc/08/84/38/266088438.db2.gz AFFYTQIMCHREJG-RTWAWAEBSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000194074110 266088441 /nfs/dbraw/zinc/08/84/41/266088441.db2.gz AFFYTQIMCHREJG-RTWAWAEBSA-N 2 2 336.483 3.470 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194362337 266111103 /nfs/dbraw/zinc/11/11/03/266111103.db2.gz BSRPJYWYJYJWQA-GJZGRUSLSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000274422906 267234224 /nfs/dbraw/zinc/23/42/24/267234224.db2.gz CMFPUFBQVMGHNT-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000274422906 267234229 /nfs/dbraw/zinc/23/42/29/267234229.db2.gz CMFPUFBQVMGHNT-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000274627141 267264015 /nfs/dbraw/zinc/26/40/15/267264015.db2.gz HBZKQLFCWABSOW-HUUCEWRRSA-N 2 2 344.459 3.436 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000274717894 267276691 /nfs/dbraw/zinc/27/66/91/267276691.db2.gz BORMDEGIRHZHQP-JKSUJKDBSA-N 2 2 347.503 3.185 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274786288 267286564 /nfs/dbraw/zinc/28/65/64/267286564.db2.gz ATBHCUFMLPNOTL-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274786288 267286567 /nfs/dbraw/zinc/28/65/67/267286567.db2.gz ATBHCUFMLPNOTL-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000278521933 268031123 /nfs/dbraw/zinc/03/11/23/268031123.db2.gz CRSXTFJRKXCILL-INIZCTEOSA-N 2 2 339.439 3.260 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000358195067 274026262 /nfs/dbraw/zinc/02/62/62/274026262.db2.gz UJNYXDDXZWBGSA-AWEZNQCLSA-N 2 2 345.270 3.127 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)C2 ZINC000372830750 274152097 /nfs/dbraw/zinc/15/20/97/274152097.db2.gz YEBATRRTHMVKRI-DLBZAZTESA-N 2 2 325.456 3.225 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)C2 ZINC000372830754 274152527 /nfs/dbraw/zinc/15/25/27/274152527.db2.gz YEBATRRTHMVKRI-IAGOWNOFSA-N 2 2 325.456 3.225 20 0 EGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000095425793 275058773 /nfs/dbraw/zinc/05/87/73/275058773.db2.gz UWXGKVKZESKTJS-SJORKVTESA-N 2 2 343.298 3.461 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000271914836 275241169 /nfs/dbraw/zinc/24/11/69/275241169.db2.gz YNXQKWRXXGLUCC-VXGBXAGGSA-N 2 2 338.249 3.394 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000278630834 275260812 /nfs/dbraw/zinc/26/08/12/275260812.db2.gz ICFKMSGVUXJFCH-UHFFFAOYSA-N 2 2 349.475 3.148 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050941 275299428 /nfs/dbraw/zinc/29/94/28/275299428.db2.gz YBTMJUYGUDADMH-WBVHZDCISA-N 3 2 335.455 3.290 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284259987 275786234 /nfs/dbraw/zinc/78/62/34/275786234.db2.gz WFYASQTXNOKAQY-OAHLLOKOSA-N 2 2 348.491 3.119 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2c(C)cc[nH+]c2C)c1 ZINC000286961473 276063529 /nfs/dbraw/zinc/06/35/29/276063529.db2.gz AVECQRDQWUFALU-UHFFFAOYSA-N 2 2 326.444 3.472 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2c(C)cc[nH+]c2C)c1 ZINC000286961473 276063530 /nfs/dbraw/zinc/06/35/30/276063530.db2.gz AVECQRDQWUFALU-UHFFFAOYSA-N 2 2 326.444 3.472 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000287536127 276129969 /nfs/dbraw/zinc/12/99/69/276129969.db2.gz NXNRWJYIYWLUFK-GOSISDBHSA-N 2 2 338.455 3.089 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000287536127 276129971 /nfs/dbraw/zinc/12/99/71/276129971.db2.gz NXNRWJYIYWLUFK-GOSISDBHSA-N 2 2 338.455 3.089 20 0 EGADLP Fc1cc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC000287781816 276156718 /nfs/dbraw/zinc/15/67/18/276156718.db2.gz SEBKRQDOBNFYNL-SWLSCSKDSA-N 2 2 343.324 3.211 20 0 EGADLP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000287810318 276159454 /nfs/dbraw/zinc/15/94/54/276159454.db2.gz PBCSSPPEKLTNDM-FUHWJXTLSA-N 2 2 345.874 3.072 20 0 EGADLP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000287810318 276159455 /nfs/dbraw/zinc/15/94/55/276159455.db2.gz PBCSSPPEKLTNDM-FUHWJXTLSA-N 2 2 345.874 3.072 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000289068922 276286545 /nfs/dbraw/zinc/28/65/45/276286545.db2.gz ADWPCDKKCZYHHV-UHFFFAOYSA-N 2 2 343.446 3.088 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000289188460 276302022 /nfs/dbraw/zinc/30/20/22/276302022.db2.gz GRJNDDMIOJBVEJ-GOSISDBHSA-N 2 2 345.512 3.047 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000289288209 276316491 /nfs/dbraw/zinc/31/64/91/276316491.db2.gz ASUCSVALDCYUJV-ZDUSSCGKSA-N 2 2 329.271 3.027 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000289288209 276316494 /nfs/dbraw/zinc/31/64/94/276316494.db2.gz ASUCSVALDCYUJV-ZDUSSCGKSA-N 2 2 329.271 3.027 20 0 EGADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289349211 276325840 /nfs/dbraw/zinc/32/58/40/276325840.db2.gz IXICKHAOHUXQOQ-INIZCTEOSA-N 2 2 346.496 3.467 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000289406616 276334037 /nfs/dbraw/zinc/33/40/37/276334037.db2.gz OWFYGMSPISADLE-SFHVURJKSA-N 2 2 348.393 3.245 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1c[nH]nc1-c1cccnc1 ZINC000289692391 276378990 /nfs/dbraw/zinc/37/89/90/276378990.db2.gz FOCSTDZXEYYTHG-UHFFFAOYSA-N 2 2 339.443 3.019 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1c[nH]nc1-c1cccnc1 ZINC000289692391 276378992 /nfs/dbraw/zinc/37/89/92/276378992.db2.gz FOCSTDZXEYYTHG-UHFFFAOYSA-N 2 2 339.443 3.019 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1c[nH]nc1-c1cccnc1)Cc1ccco1 ZINC000289692391 276378994 /nfs/dbraw/zinc/37/89/94/276378994.db2.gz FOCSTDZXEYYTHG-UHFFFAOYSA-N 2 2 339.443 3.019 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1c[nH]nc1-c1cccnc1)Cc1ccco1 ZINC000289692391 276378996 /nfs/dbraw/zinc/37/89/96/276378996.db2.gz FOCSTDZXEYYTHG-UHFFFAOYSA-N 2 2 339.443 3.019 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)O[C@@H](C)C2 ZINC000093563645 277390298 /nfs/dbraw/zinc/39/02/98/277390298.db2.gz OKRUCCGCSSLNGV-LPHOPBHVSA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)O[C@@H](C)C2 ZINC000093563645 277390299 /nfs/dbraw/zinc/39/02/99/277390299.db2.gz OKRUCCGCSSLNGV-LPHOPBHVSA-N 2 2 344.499 3.469 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356887557 278341058 /nfs/dbraw/zinc/34/10/58/278341058.db2.gz YTYVXJNOJLHSEM-UHFFFAOYSA-N 3 2 335.458 3.256 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)CCC2 ZINC000369934922 281552701 /nfs/dbraw/zinc/55/27/01/281552701.db2.gz SUWWJZKYMHZIRR-JYJNAYRXSA-N 2 2 348.491 3.104 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000362340082 288723891 /nfs/dbraw/zinc/72/38/91/288723891.db2.gz PRNCVWXPPMEFDW-INIZCTEOSA-N 2 2 347.507 3.014 20 0 EGADLP CCn1ccnc1[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CCOCC1 ZINC000375420131 288735050 /nfs/dbraw/zinc/73/50/50/288735050.db2.gz QEMZYRUYKKGPBJ-GOSISDBHSA-N 2 2 348.535 3.223 20 0 EGADLP C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677462 290034365 /nfs/dbraw/zinc/03/43/65/290034365.db2.gz IFKBEMVZEBKWGU-HQRMLTQVSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677462 290034367 /nfs/dbraw/zinc/03/43/67/290034367.db2.gz IFKBEMVZEBKWGU-HQRMLTQVSA-N 2 2 343.515 3.059 20 0 EGADLP COc1ccc2ccccc2c1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000076897798 295279106 /nfs/dbraw/zinc/27/91/06/295279106.db2.gz DPHGTVSTUWNKQF-INIZCTEOSA-N 2 2 328.456 3.049 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000363671323 302179413 /nfs/dbraw/zinc/17/94/13/302179413.db2.gz KZCVIGHMIHWOHY-ROUUACIJSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000363671323 302179416 /nfs/dbraw/zinc/17/94/16/302179416.db2.gz KZCVIGHMIHWOHY-ROUUACIJSA-N 2 2 343.515 3.121 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1Br)C[NH+]1CCCC1 ZINC000062072153 307353503 /nfs/dbraw/zinc/35/35/03/307353503.db2.gz GKYKWRDTQSQPBY-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414121847 309062195 /nfs/dbraw/zinc/06/21/95/309062195.db2.gz FLXXDTRGZQQFPQ-NEWSRXKRSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414121847 309062196 /nfs/dbraw/zinc/06/21/96/309062196.db2.gz FLXXDTRGZQQFPQ-NEWSRXKRSA-N 2 2 336.907 3.413 20 0 EGADLP COc1ccccc1SC[C@@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414319809 309072830 /nfs/dbraw/zinc/07/28/30/309072830.db2.gz AOFLPKUYYBQDBV-AWEZNQCLSA-N 2 2 348.516 3.013 20 0 EGADLP COCCSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414336356 309073826 /nfs/dbraw/zinc/07/38/26/309073826.db2.gz YZSNFMBOTWACCI-AWEZNQCLSA-N 2 2 348.516 3.075 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)n1C ZINC000414364771 309075476 /nfs/dbraw/zinc/07/54/76/309075476.db2.gz JHNVEVXHOSMCNX-CQSZACIVSA-N 2 2 344.356 3.409 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292832599 308070708 /nfs/dbraw/zinc/07/07/08/308070708.db2.gz AREVQDHOVQFSAO-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292832599 308070710 /nfs/dbraw/zinc/07/07/10/308070710.db2.gz AREVQDHOVQFSAO-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292832599 308070712 /nfs/dbraw/zinc/07/07/12/308070712.db2.gz AREVQDHOVQFSAO-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292832599 308070713 /nfs/dbraw/zinc/07/07/13/308070713.db2.gz AREVQDHOVQFSAO-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP CC(C)(C[NH2+]Cc1cnn(CC(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000292942962 308082341 /nfs/dbraw/zinc/08/23/41/308082341.db2.gz IRVBSNIJHGMVGH-UHFFFAOYSA-N 2 2 348.441 3.075 20 0 EGADLP Fc1ccccc1N1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000293389685 308126138 /nfs/dbraw/zinc/12/61/38/308126138.db2.gz IVDXUQLXVINFKS-KRWDZBQOSA-N 2 2 340.446 3.058 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C[NH+](C)C ZINC000293706444 308154730 /nfs/dbraw/zinc/15/47/30/308154730.db2.gz IWRZAQHOISVOFV-ZDUSSCGKSA-N 2 2 347.846 3.455 20 0 EGADLP COC(=O)c1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1Cl ZINC000294922819 308271833 /nfs/dbraw/zinc/27/18/33/308271833.db2.gz JLAMGVXHKXDSKT-UHFFFAOYSA-N 2 2 335.835 3.154 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)n1-c1ccccc1 ZINC000295092491 308290542 /nfs/dbraw/zinc/29/05/42/308290542.db2.gz JKCHAOUSIMXVLC-FQEVSTJZSA-N 2 2 339.414 3.013 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000295610049 308343254 /nfs/dbraw/zinc/34/32/54/308343254.db2.gz DSUBJXQWYOWKHD-UHFFFAOYSA-N 2 2 346.475 3.171 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000295610049 308343255 /nfs/dbraw/zinc/34/32/55/308343255.db2.gz DSUBJXQWYOWKHD-UHFFFAOYSA-N 2 2 346.475 3.171 20 0 EGADLP CCC[N@H+](Cc1cccc(O)c1Br)C1CC[NH2+]CC1 ZINC000414656056 309093783 /nfs/dbraw/zinc/09/37/83/309093783.db2.gz MFXFKKVEINUJIV-UHFFFAOYSA-N 2 2 327.266 3.119 20 0 EGADLP CCC[N@@H+](Cc1cccc(O)c1Br)C1CC[NH2+]CC1 ZINC000414656056 309093784 /nfs/dbraw/zinc/09/37/84/309093784.db2.gz MFXFKKVEINUJIV-UHFFFAOYSA-N 2 2 327.266 3.119 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414655146 309093858 /nfs/dbraw/zinc/09/38/58/309093858.db2.gz GRMHNRMAYPIZHG-CQSZACIVSA-N 2 2 326.469 3.380 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414655146 309093859 /nfs/dbraw/zinc/09/38/59/309093859.db2.gz GRMHNRMAYPIZHG-CQSZACIVSA-N 2 2 326.469 3.380 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CCO1 ZINC000296503725 308434650 /nfs/dbraw/zinc/43/46/50/308434650.db2.gz QEBWEAWUBLVAOZ-QEORTHHSSA-N 2 2 346.862 3.356 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414660190 309094224 /nfs/dbraw/zinc/09/42/24/309094224.db2.gz UMGVIKJWCAKNTQ-JQWIXIFHSA-N 2 2 342.283 3.092 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414660190 309094225 /nfs/dbraw/zinc/09/42/25/309094225.db2.gz UMGVIKJWCAKNTQ-JQWIXIFHSA-N 2 2 342.283 3.092 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663971 309094367 /nfs/dbraw/zinc/09/43/67/309094367.db2.gz SMYIMNBNBLWJNJ-JSGCOSHPSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663971 309094368 /nfs/dbraw/zinc/09/43/68/309094368.db2.gz SMYIMNBNBLWJNJ-JSGCOSHPSA-N 2 2 346.393 3.196 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414788687 309101376 /nfs/dbraw/zinc/10/13/76/309101376.db2.gz DTFKYCMKJZSSOH-SFHVURJKSA-N 2 2 328.504 3.302 20 0 EGADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414791962 309101586 /nfs/dbraw/zinc/10/15/86/309101586.db2.gz BQIBFMZPGAZNNS-VQIMIIECSA-N 3 2 335.923 3.412 20 0 EGADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414791956 309101634 /nfs/dbraw/zinc/10/16/34/309101634.db2.gz BQIBFMZPGAZNNS-APWZRJJASA-N 3 2 335.923 3.412 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414807036 309102898 /nfs/dbraw/zinc/10/28/98/309102898.db2.gz ZZXQXEBLQMOWCY-QGZVFWFLSA-N 2 2 327.875 3.016 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cnc21 ZINC000299604965 308681295 /nfs/dbraw/zinc/68/12/95/308681295.db2.gz TXSSAWDKIKMRSE-UHFFFAOYSA-N 2 2 341.503 3.463 20 0 EGADLP CC(C)c1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)nc(C(C)C)[nH+]1 ZINC000301876543 308719507 /nfs/dbraw/zinc/71/95/07/308719507.db2.gz SFUDUCDVQHGVMA-MRXNPFEDSA-N 2 2 334.508 3.228 20 0 EGADLP c1csc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000302686003 308741921 /nfs/dbraw/zinc/74/19/21/308741921.db2.gz AHDWPSAWEJJROO-HNNXBMFYSA-N 2 2 343.500 3.387 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OCc1ccccc1 ZINC000414848121 309105286 /nfs/dbraw/zinc/10/52/86/309105286.db2.gz PPFUDFOMXFIJBG-GOSISDBHSA-N 2 2 326.440 3.116 20 0 EGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000333218488 308853450 /nfs/dbraw/zinc/85/34/50/308853450.db2.gz VLFUEJJDJKXENZ-CDUMDVBJSA-N 2 2 344.503 3.029 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139788 309017935 /nfs/dbraw/zinc/01/79/35/309017935.db2.gz KTURUSVNMPSOBP-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139788 309017936 /nfs/dbraw/zinc/01/79/36/309017936.db2.gz KTURUSVNMPSOBP-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139788 309017937 /nfs/dbraw/zinc/01/79/37/309017937.db2.gz KTURUSVNMPSOBP-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139788 309017938 /nfs/dbraw/zinc/01/79/38/309017938.db2.gz KTURUSVNMPSOBP-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414866352 309106277 /nfs/dbraw/zinc/10/62/77/309106277.db2.gz GLCYLOIXIPQPDM-GFCCVEGCSA-N 2 2 331.382 3.012 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000414868541 309106375 /nfs/dbraw/zinc/10/63/75/309106375.db2.gz QDCQNAXBBDKKBJ-QGZVFWFLSA-N 2 2 342.487 3.155 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(C)ccc2OC)cc1 ZINC000414876213 309106712 /nfs/dbraw/zinc/10/67/12/309106712.db2.gz CXXKHDMFQHABIL-PMACEKPBSA-N 2 2 340.467 3.248 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000414876771 309106857 /nfs/dbraw/zinc/10/68/57/309106857.db2.gz DWXXSHZRORYOPH-RBUKOAKNSA-N 2 2 332.394 3.209 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCC1 ZINC000414877915 309106887 /nfs/dbraw/zinc/10/68/87/309106887.db2.gz NPPFLSXCVOJLQA-UHFFFAOYSA-N 2 2 335.192 3.022 20 0 EGADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000414923943 309109570 /nfs/dbraw/zinc/10/95/70/309109570.db2.gz FRRNZARKZFCVJA-CYBMUJFWSA-N 2 2 349.272 3.465 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414947164 309110766 /nfs/dbraw/zinc/11/07/66/309110766.db2.gz UTSLJRFVSJPHDG-AWEZNQCLSA-N 2 2 336.785 3.217 20 0 EGADLP CC(C)Sc1cc(Br)ccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046957 309116352 /nfs/dbraw/zinc/11/63/52/309116352.db2.gz YCMRBEOLIJMOIQ-NHAGDIPZSA-N 2 2 341.318 3.257 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415055047 309116964 /nfs/dbraw/zinc/11/69/64/309116964.db2.gz QRNMFDRERGRSRL-YOEHRIQHSA-N 2 2 328.485 3.169 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415055047 309116965 /nfs/dbraw/zinc/11/69/65/309116965.db2.gz QRNMFDRERGRSRL-YOEHRIQHSA-N 2 2 328.485 3.169 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415064695 309118004 /nfs/dbraw/zinc/11/80/04/309118004.db2.gz LDAFPKXVWDYJEO-AUUYWEPGSA-N 2 2 343.446 3.395 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)c2cccs2)CC1 ZINC000415079514 309118911 /nfs/dbraw/zinc/11/89/11/309118911.db2.gz HWOZSMGVYJMSSP-OKZBNKHCSA-N 3 2 335.561 3.499 20 0 EGADLP Clc1cc(Cl)cc(CN2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415125214 309122198 /nfs/dbraw/zinc/12/21/98/309122198.db2.gz RZVFYSLPGUZTGF-QGZVFWFLSA-N 2 2 342.314 3.299 20 0 EGADLP Clc1cc(Cl)cc(C[NH+]2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415125214 309122199 /nfs/dbraw/zinc/12/21/99/309122199.db2.gz RZVFYSLPGUZTGF-QGZVFWFLSA-N 2 2 342.314 3.299 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000415292933 309130043 /nfs/dbraw/zinc/13/00/43/309130043.db2.gz KUZHIELVFNHORB-KRWDZBQOSA-N 2 2 341.459 3.209 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000415910291 309147864 /nfs/dbraw/zinc/14/78/64/309147864.db2.gz VJFRWLRLMLDONF-UHFFFAOYSA-N 2 2 337.427 3.074 20 0 EGADLP CCn1cncc1C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000417853991 309225196 /nfs/dbraw/zinc/22/51/96/309225196.db2.gz JEKLCACEHLFEOV-FQEVSTJZSA-N 2 2 326.488 3.076 20 0 EGADLP CCn1cncc1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000417853991 309225197 /nfs/dbraw/zinc/22/51/97/309225197.db2.gz JEKLCACEHLFEOV-FQEVSTJZSA-N 2 2 326.488 3.076 20 0 EGADLP Cc1[nH+]c2cc(NCc3cn4cc(C)ccc4[nH+]3)ccc2n1[C@H](C)CO ZINC000419763848 309271683 /nfs/dbraw/zinc/27/16/83/309271683.db2.gz OHMPPTXGKWFCLI-CQSZACIVSA-N 2 2 349.438 3.466 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000420269396 309278772 /nfs/dbraw/zinc/27/87/72/309278772.db2.gz HVSACRVLPILKCC-CYBMUJFWSA-N 2 2 332.469 3.119 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000420269396 309278773 /nfs/dbraw/zinc/27/87/73/309278773.db2.gz HVSACRVLPILKCC-CYBMUJFWSA-N 2 2 332.469 3.119 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC([NH3+])CC1 ZINC000420276040 309279063 /nfs/dbraw/zinc/27/90/63/309279063.db2.gz QTLJPZBFQLWHIU-OAHLLOKOSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420286813 309279466 /nfs/dbraw/zinc/27/94/66/309279466.db2.gz FQSSOICOWKMTBR-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420286813 309279467 /nfs/dbraw/zinc/27/94/67/309279467.db2.gz FQSSOICOWKMTBR-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000420300135 309280069 /nfs/dbraw/zinc/28/00/69/309280069.db2.gz HHWCCUOHZMTANQ-CQSZACIVSA-N 2 2 326.469 3.380 20 0 EGADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000420300135 309280070 /nfs/dbraw/zinc/28/00/70/309280070.db2.gz HHWCCUOHZMTANQ-CQSZACIVSA-N 2 2 326.469 3.380 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300635 309280324 /nfs/dbraw/zinc/28/03/24/309280324.db2.gz VBRYWNHRJYQRIY-PXNSSMCTSA-N 2 2 337.467 3.216 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300635 309280325 /nfs/dbraw/zinc/28/03/25/309280325.db2.gz VBRYWNHRJYQRIY-PXNSSMCTSA-N 2 2 337.467 3.216 20 0 EGADLP CC[N@H+](Cc1csc(Nc2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420306431 309280791 /nfs/dbraw/zinc/28/07/91/309280791.db2.gz HJYXQRKPYCHVHQ-QGZVFWFLSA-N 2 2 330.501 3.273 20 0 EGADLP CC[N@@H+](Cc1csc(Nc2ccccc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420306431 309280792 /nfs/dbraw/zinc/28/07/92/309280792.db2.gz HJYXQRKPYCHVHQ-QGZVFWFLSA-N 2 2 330.501 3.273 20 0 EGADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313166 309281101 /nfs/dbraw/zinc/28/11/01/309281101.db2.gz PGNMZRLFDSDVTK-FVJLSDCUSA-N 2 2 345.446 3.243 20 0 EGADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313166 309281102 /nfs/dbraw/zinc/28/11/02/309281102.db2.gz PGNMZRLFDSDVTK-FVJLSDCUSA-N 2 2 345.446 3.243 20 0 EGADLP CC(C)n1ncnc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420318672 309281904 /nfs/dbraw/zinc/28/19/04/309281904.db2.gz WITLSCGNEVIUIK-RBUKOAKNSA-N 2 2 341.503 3.031 20 0 EGADLP CC(C)n1ncnc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420318672 309281905 /nfs/dbraw/zinc/28/19/05/309281905.db2.gz WITLSCGNEVIUIK-RBUKOAKNSA-N 2 2 341.503 3.031 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000420341041 309283175 /nfs/dbraw/zinc/28/31/75/309283175.db2.gz PSLKZVGXASLAHR-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H](C[NH3+])C1 ZINC000420341041 309283176 /nfs/dbraw/zinc/28/31/76/309283176.db2.gz PSLKZVGXASLAHR-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP CC1CCC(N(C(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)C2CC2)CC1 ZINC000420358167 309283864 /nfs/dbraw/zinc/28/38/64/309283864.db2.gz FBECCFDGJSBJCM-GXOAENINSA-N 2 2 335.536 3.053 20 0 EGADLP COc1ccccc1-c1nc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cs1 ZINC000420360198 309284185 /nfs/dbraw/zinc/28/41/85/309284185.db2.gz KSLDMUFEEVVPIR-INIZCTEOSA-N 2 2 331.485 3.296 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000420361702 309284196 /nfs/dbraw/zinc/28/41/96/309284196.db2.gz MOBQYCUYAMDCRV-GOSISDBHSA-N 2 2 337.552 3.443 20 0 EGADLP CCN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1cccc2ccccc21 ZINC000420363960 309284309 /nfs/dbraw/zinc/28/43/09/309284309.db2.gz OMNPIOAREZZOFH-GOSISDBHSA-N 2 2 327.472 3.156 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000420365213 309284394 /nfs/dbraw/zinc/28/43/94/309284394.db2.gz KZCRSUADSNRPQF-WQGACYEGSA-N 2 2 348.288 3.473 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420377682 309285365 /nfs/dbraw/zinc/28/53/65/309285365.db2.gz WIVMMWKZSLKIIA-QINHECLXSA-N 2 2 325.456 3.137 20 0 EGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383680 309285525 /nfs/dbraw/zinc/28/55/25/309285525.db2.gz ZVQVKUSKACNOGI-DZGCQCFKSA-N 2 2 344.459 3.245 20 0 EGADLP COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383680 309285526 /nfs/dbraw/zinc/28/55/26/309285526.db2.gz ZVQVKUSKACNOGI-DZGCQCFKSA-N 2 2 344.459 3.245 20 0 EGADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc(N)c1)CC2 ZINC000420382180 309285628 /nfs/dbraw/zinc/28/56/28/309285628.db2.gz YQBYOGXSXHEZMO-QGZVFWFLSA-N 2 2 342.512 3.212 20 0 EGADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc(N)c1)CC2 ZINC000420382180 309285629 /nfs/dbraw/zinc/28/56/29/309285629.db2.gz YQBYOGXSXHEZMO-QGZVFWFLSA-N 2 2 342.512 3.212 20 0 EGADLP CC(C)(C)[C@H]([NH2+]Cc1noc(C[NH3+])n1)c1cccc(C(F)(F)F)c1 ZINC000420395538 309286325 /nfs/dbraw/zinc/28/63/25/309286325.db2.gz DMLHIVHFXJLPIH-CQSZACIVSA-N 2 2 342.365 3.424 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420408898 309286809 /nfs/dbraw/zinc/28/68/09/309286809.db2.gz WKSCFEYIJBGOIP-PBHICJAKSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420408898 309286810 /nfs/dbraw/zinc/28/68/10/309286810.db2.gz WKSCFEYIJBGOIP-PBHICJAKSA-N 2 2 335.879 3.051 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@H](C)C1 ZINC000420915709 309300651 /nfs/dbraw/zinc/30/06/51/309300651.db2.gz FWBIGROIICOZFT-GHTZIAJQSA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@H](C)C1 ZINC000420915709 309300652 /nfs/dbraw/zinc/30/06/52/309300652.db2.gz FWBIGROIICOZFT-GHTZIAJQSA-N 2 2 346.515 3.156 20 0 EGADLP C[C@@H]1Cc2[nH+]cn(Cc3cccc(C[NH+]4CCOCC4)c3)c2C[C@@H]1C ZINC000420918926 309300882 /nfs/dbraw/zinc/30/08/82/309300882.db2.gz ANKPTLXEXJMLPR-SJORKVTESA-N 2 2 339.483 3.134 20 0 EGADLP CCc1nc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420922243 309301177 /nfs/dbraw/zinc/30/11/77/309301177.db2.gz NMTGAWBKTBLPKF-HNNXBMFYSA-N 2 2 345.512 3.389 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000421024100 309308450 /nfs/dbraw/zinc/30/84/50/309308450.db2.gz BZNSNAOAQSHSGV-UHFFFAOYSA-N 2 2 344.503 3.019 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C)c3)CC2)CC1 ZINC000421024100 309308451 /nfs/dbraw/zinc/30/84/51/309308451.db2.gz BZNSNAOAQSHSGV-UHFFFAOYSA-N 2 2 344.503 3.019 20 0 EGADLP C[NH+](C)C1CCC(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000421684190 309334397 /nfs/dbraw/zinc/33/43/97/309334397.db2.gz IUZILVSPGHRBJP-UHFFFAOYSA-N 2 2 339.439 3.477 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2(OC)CCCCC2)CC1 ZINC000421830457 309342086 /nfs/dbraw/zinc/34/20/86/309342086.db2.gz JWSYXVSIEBHHAV-MRXNPFEDSA-N 2 2 326.525 3.203 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421843585 309342989 /nfs/dbraw/zinc/34/29/89/309342989.db2.gz MZKSXZATORMIAJ-KBPBESRZSA-N 2 2 328.859 3.111 20 0 EGADLP COc1ccc([C@@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421847653 309343161 /nfs/dbraw/zinc/34/31/61/309343161.db2.gz XYHVMGFYWLMWID-KXBFYZLASA-N 2 2 338.467 3.232 20 0 EGADLP Cc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000421914942 309346328 /nfs/dbraw/zinc/34/63/28/309346328.db2.gz HMBYLJMJKAQPCJ-HXUWFJFHSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1cc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000421914942 309346329 /nfs/dbraw/zinc/34/63/29/309346329.db2.gz HMBYLJMJKAQPCJ-HXUWFJFHSA-N 2 2 337.467 3.369 20 0 EGADLP CC[C@H](CC(C)C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014073 309351030 /nfs/dbraw/zinc/35/10/30/309351030.db2.gz FWUJQBPIDXKPKV-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@H](CC(C)C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014073 309351031 /nfs/dbraw/zinc/35/10/31/309351031.db2.gz FWUJQBPIDXKPKV-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP Brc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c2ncccc12 ZINC000422561788 309361724 /nfs/dbraw/zinc/36/17/24/309361724.db2.gz NKAPIWDLMCOKGM-UHFFFAOYSA-N 2 2 346.272 3.325 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)CC[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000422572199 309362014 /nfs/dbraw/zinc/36/20/14/309362014.db2.gz JCKVDIBFPFUXCR-CQSZACIVSA-N 2 2 333.480 3.018 20 0 EGADLP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422723952 309365056 /nfs/dbraw/zinc/36/50/56/309365056.db2.gz TUHQUYCYHZSFOK-LMMKCTJWSA-N 2 2 334.504 3.152 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422724753 309365071 /nfs/dbraw/zinc/36/50/71/309365071.db2.gz WNTRHRCPURYQCT-BBRMVZONSA-N 2 2 327.453 3.451 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824748 309370327 /nfs/dbraw/zinc/37/03/27/309370327.db2.gz IASQVSUGVJJXAV-IFIJOSMWSA-N 2 2 340.414 3.022 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422877125 309373348 /nfs/dbraw/zinc/37/33/48/309373348.db2.gz RBFCTTRTIPXARL-UHOSZYNNSA-N 2 2 332.488 3.173 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422877123 309373539 /nfs/dbraw/zinc/37/35/39/309373539.db2.gz RBFCTTRTIPXARL-QRQLOZEOSA-N 2 2 332.488 3.173 20 0 EGADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422890173 309374459 /nfs/dbraw/zinc/37/44/59/309374459.db2.gz RNCAZWCFKHEXCD-XLWVJDPXSA-N 2 2 329.469 3.358 20 0 EGADLP CC[C@@H]([NH2+]Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000422937073 309377005 /nfs/dbraw/zinc/37/70/05/309377005.db2.gz CDYAECWMZLIJDP-KGLIPLIRSA-N 2 2 327.266 3.078 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422962870 309378408 /nfs/dbraw/zinc/37/84/08/309378408.db2.gz GVTMWXNJEIOAJO-SXLOBPIMSA-N 2 2 341.499 3.355 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422962870 309378409 /nfs/dbraw/zinc/37/84/09/309378409.db2.gz GVTMWXNJEIOAJO-SXLOBPIMSA-N 2 2 341.499 3.355 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008836 309380880 /nfs/dbraw/zinc/38/08/80/309380880.db2.gz BFJZOOODJGFCED-HNAYVOBHSA-N 2 2 325.456 3.061 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1c[nH+]ccc1N ZINC000423051382 309383145 /nfs/dbraw/zinc/38/31/45/309383145.db2.gz NXJLFVDKIDAXAM-SNVBAGLBSA-N 2 2 348.244 3.042 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065466 309384170 /nfs/dbraw/zinc/38/41/70/309384170.db2.gz UMYHPLUMRLUANL-DXBBTUNJSA-N 3 2 341.543 3.407 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065466 309384171 /nfs/dbraw/zinc/38/41/71/309384171.db2.gz UMYHPLUMRLUANL-DXBBTUNJSA-N 3 2 341.543 3.407 20 0 EGADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423083428 309384992 /nfs/dbraw/zinc/38/49/92/309384992.db2.gz GBXIADMRWUOMIQ-BHIYHBOVSA-N 2 2 344.430 3.332 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000423153549 309388567 /nfs/dbraw/zinc/38/85/67/309388567.db2.gz HSPZYDDXHLKEDN-YXUGBTPSSA-N 2 2 335.451 3.087 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232572 309391647 /nfs/dbraw/zinc/39/16/47/309391647.db2.gz INUXZTMXUMSNPS-TUFLPTIASA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232572 309391648 /nfs/dbraw/zinc/39/16/48/309391648.db2.gz INUXZTMXUMSNPS-TUFLPTIASA-N 3 2 327.516 3.019 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccccc1I ZINC000423282902 309393923 /nfs/dbraw/zinc/39/39/23/309393923.db2.gz DIXAQPXLIDPRTP-LLVKDONJSA-N 2 2 346.256 3.459 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423300609 309394403 /nfs/dbraw/zinc/39/44/03/309394403.db2.gz SAUXCFGSCDGXDK-DOIPELPJSA-N 3 2 329.532 3.394 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423300609 309394404 /nfs/dbraw/zinc/39/44/04/309394404.db2.gz SAUXCFGSCDGXDK-DOIPELPJSA-N 3 2 329.532 3.394 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@@H](C)[NH3+] ZINC000423343472 309396228 /nfs/dbraw/zinc/39/62/28/309396228.db2.gz DMYGFZUBZVFQHU-AUUYWEPGSA-N 2 2 340.471 3.444 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC[NH2+]1 ZINC000423365809 309397222 /nfs/dbraw/zinc/39/72/22/309397222.db2.gz BWLYEJPZEHAMEH-RULNRJAQSA-N 2 2 327.241 3.306 20 0 EGADLP CCCC[C@H](COC)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423366464 309397348 /nfs/dbraw/zinc/39/73/48/309397348.db2.gz LPJWPQPAJMNVSO-VKJFTORMSA-N 2 2 326.431 3.205 20 0 EGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423378873 309397768 /nfs/dbraw/zinc/39/77/68/309397768.db2.gz WWPDFLLEALXJQX-MPGHIAIKSA-N 2 2 326.431 3.061 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423374311 309397795 /nfs/dbraw/zinc/39/77/95/309397795.db2.gz SSFKDTHCWHPGMM-JGVFFNPUSA-N 2 2 325.172 3.466 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423397239 309398543 /nfs/dbraw/zinc/39/85/43/309398543.db2.gz UMBPRCMOUJBZSX-RDTXWAMCSA-N 2 2 344.503 3.399 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CCC[NH2+]1 ZINC000423414628 309399273 /nfs/dbraw/zinc/39/92/73/309399273.db2.gz CKNVRVYOEOZARW-OXQOHEQNSA-N 2 2 325.456 3.168 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2[nH+]c1C1CC1 ZINC000423810020 309413885 /nfs/dbraw/zinc/41/38/85/309413885.db2.gz LJAMZOHAIJGGTK-QRTARXTBSA-N 2 2 338.455 3.310 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000428376611 309549266 /nfs/dbraw/zinc/54/92/66/309549266.db2.gz QPVXSGFTGGNFJG-UHFFFAOYSA-N 2 2 348.535 3.097 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)N(c1ccccc1)C1CCCCC1)C1CC1 ZINC000430564893 309611060 /nfs/dbraw/zinc/61/10/60/309611060.db2.gz DEQLFLJWBPTSAF-HXUWFJFHSA-N 2 2 329.488 3.069 20 0 EGADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000430622957 309613402 /nfs/dbraw/zinc/61/34/02/309613402.db2.gz GIYZTAZOSGESSQ-SFHVURJKSA-N 2 2 339.439 3.382 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCSCc2ccccc2)CC1 ZINC000430767952 309617264 /nfs/dbraw/zinc/61/72/64/309617264.db2.gz YYTQHJYQNGZEHH-UHFFFAOYSA-N 2 2 336.545 3.399 20 0 EGADLP C[NH+](C)[C@H](CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000431763389 309642089 /nfs/dbraw/zinc/64/20/89/309642089.db2.gz AXAUBBPVWQCESC-IAGOWNOFSA-N 2 2 326.444 3.156 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000436414895 309755101 /nfs/dbraw/zinc/75/51/01/309755101.db2.gz RRVZQGMFLBIMJQ-KZULUSFZSA-N 2 2 328.391 3.050 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)CC(C)C ZINC000439027370 309825037 /nfs/dbraw/zinc/82/50/37/309825037.db2.gz LJZATTJRYCYMHG-INIZCTEOSA-N 2 2 331.464 3.212 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc4c(c3)OCCCCO4)CC2)c[nH+]1 ZINC000449020962 310029670 /nfs/dbraw/zinc/02/96/70/310029670.db2.gz RJVHPAPTKHDLSE-UHFFFAOYSA-N 2 2 327.428 3.272 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)OCCCCO2 ZINC000449044356 310032739 /nfs/dbraw/zinc/03/27/39/310032739.db2.gz DGJQPMCQUSXPPE-MSOLQXFVSA-N 2 2 330.472 3.297 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)OCCCCO2 ZINC000449044356 310032740 /nfs/dbraw/zinc/03/27/40/310032740.db2.gz DGJQPMCQUSXPPE-MSOLQXFVSA-N 2 2 330.472 3.297 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCCCCO2 ZINC000449044356 310032741 /nfs/dbraw/zinc/03/27/41/310032741.db2.gz DGJQPMCQUSXPPE-MSOLQXFVSA-N 2 2 330.472 3.297 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)OCCCCO2 ZINC000449044356 310032742 /nfs/dbraw/zinc/03/27/42/310032742.db2.gz DGJQPMCQUSXPPE-MSOLQXFVSA-N 2 2 330.472 3.297 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C[C@@H](C)O1 ZINC000449070943 310034522 /nfs/dbraw/zinc/03/45/22/310034522.db2.gz GEVWPTAAYQUDEB-HZPDHXFCSA-N 2 2 343.446 3.120 20 0 EGADLP C([NH2+][C@@H]1CCOC2(CCC2)C1)C1([NH+]2CCSCC2)CCCCC1 ZINC000449143355 310040093 /nfs/dbraw/zinc/04/00/93/310040093.db2.gz WKTHARLSNZDIQH-QGZVFWFLSA-N 2 2 338.561 3.429 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000449397596 310058675 /nfs/dbraw/zinc/05/86/75/310058675.db2.gz QWHYRGPBSCYOJJ-IPMKNSEASA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000449397596 310058676 /nfs/dbraw/zinc/05/86/76/310058676.db2.gz QWHYRGPBSCYOJJ-IPMKNSEASA-N 2 2 336.907 3.413 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000449473973 310065169 /nfs/dbraw/zinc/06/51/69/310065169.db2.gz ITDRJVYBWAZZFV-SFHVURJKSA-N 2 2 345.531 3.278 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000449473973 310065170 /nfs/dbraw/zinc/06/51/70/310065170.db2.gz ITDRJVYBWAZZFV-SFHVURJKSA-N 2 2 345.531 3.278 20 0 EGADLP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000449506227 310067716 /nfs/dbraw/zinc/06/77/16/310067716.db2.gz CCFXNIYPCOPWKV-CVEARBPZSA-N 2 2 338.458 3.282 20 0 EGADLP CCC1CC([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000449526998 310069274 /nfs/dbraw/zinc/06/92/74/310069274.db2.gz YPNYDRNIAPHDGN-UHFFFAOYSA-N 2 2 329.488 3.388 20 0 EGADLP Brc1ccc2[nH+]cc(CNc3ccc4c([nH+]3)CCC4)n2c1 ZINC000449666907 310079019 /nfs/dbraw/zinc/07/90/19/310079019.db2.gz QLNPNOPRKIJTNG-UHFFFAOYSA-N 2 2 343.228 3.015 20 0 EGADLP C[C@@H](c1csnn1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000450349844 310117209 /nfs/dbraw/zinc/11/72/09/310117209.db2.gz VMRDSVHFWSEEJT-HNNXBMFYSA-N 2 2 330.501 3.443 20 0 EGADLP C[C@@H](c1csnn1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000450349844 310117210 /nfs/dbraw/zinc/11/72/10/310117210.db2.gz VMRDSVHFWSEEJT-HNNXBMFYSA-N 2 2 330.501 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450532705 310128638 /nfs/dbraw/zinc/12/86/38/310128638.db2.gz XRANEAXGUWRUJU-OLZOCXBDSA-N 2 2 349.837 3.327 20 0 EGADLP CC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000450888605 310148031 /nfs/dbraw/zinc/14/80/31/310148031.db2.gz NSSZQJKTCCSPHH-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP CC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000450888605 310148032 /nfs/dbraw/zinc/14/80/32/310148032.db2.gz NSSZQJKTCCSPHH-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP CC(=O)c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000450888605 310148033 /nfs/dbraw/zinc/14/80/33/310148033.db2.gz NSSZQJKTCCSPHH-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP CC(=O)c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000450888605 310148034 /nfs/dbraw/zinc/14/80/34/310148034.db2.gz NSSZQJKTCCSPHH-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994506 310154106 /nfs/dbraw/zinc/15/41/06/310154106.db2.gz ZFKVHEHBXDTYDX-PXNSSMCTSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994506 310154107 /nfs/dbraw/zinc/15/41/07/310154107.db2.gz ZFKVHEHBXDTYDX-PXNSSMCTSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000450994506 310154108 /nfs/dbraw/zinc/15/41/08/310154108.db2.gz ZFKVHEHBXDTYDX-PXNSSMCTSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000450994506 310154109 /nfs/dbraw/zinc/15/41/09/310154109.db2.gz ZFKVHEHBXDTYDX-PXNSSMCTSA-N 2 2 330.472 3.198 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000451020901 310155732 /nfs/dbraw/zinc/15/57/32/310155732.db2.gz AJTKFPYSMVYTKH-GJZGRUSLSA-N 2 2 339.430 3.426 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000451020901 310155733 /nfs/dbraw/zinc/15/57/33/310155733.db2.gz AJTKFPYSMVYTKH-GJZGRUSLSA-N 2 2 339.430 3.426 20 0 EGADLP Cc1noc(C)c1CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452116270 310213114 /nfs/dbraw/zinc/21/31/14/310213114.db2.gz LSAUNAYYAFLPOQ-UHFFFAOYSA-N 2 2 333.398 3.183 20 0 EGADLP Cc1noc(C)c1CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452116270 310213115 /nfs/dbraw/zinc/21/31/15/310213115.db2.gz LSAUNAYYAFLPOQ-UHFFFAOYSA-N 2 2 333.398 3.183 20 0 EGADLP CC[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@H+](C)Cc1ccccc1 ZINC000452329221 310223441 /nfs/dbraw/zinc/22/34/41/310223441.db2.gz BBCKSEKFYCXQPL-MRXNPFEDSA-N 2 2 326.444 3.069 20 0 EGADLP CC[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000452329221 310223442 /nfs/dbraw/zinc/22/34/42/310223442.db2.gz BBCKSEKFYCXQPL-MRXNPFEDSA-N 2 2 326.444 3.069 20 0 EGADLP CC[NH+](CC)CCCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453055087 310254618 /nfs/dbraw/zinc/25/46/18/310254618.db2.gz IVHYDKLDKBYIJV-KRWDZBQOSA-N 2 2 334.895 3.484 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453074474 310256172 /nfs/dbraw/zinc/25/61/72/310256172.db2.gz GVMQGAXQWYJJAN-NJYVYQBISA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453074474 310256173 /nfs/dbraw/zinc/25/61/73/310256173.db2.gz GVMQGAXQWYJJAN-NJYVYQBISA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245271 310266380 /nfs/dbraw/zinc/26/63/80/310266380.db2.gz BMKIMOJKDUMTSF-BBRMVZONSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245271 310266381 /nfs/dbraw/zinc/26/63/81/310266381.db2.gz BMKIMOJKDUMTSF-BBRMVZONSA-N 2 2 330.394 3.203 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453253702 310267011 /nfs/dbraw/zinc/26/70/11/310267011.db2.gz CXDWBVYMOZLYDM-JXFKEZNVSA-N 2 2 341.499 3.290 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453253702 310267012 /nfs/dbraw/zinc/26/70/12/310267012.db2.gz CXDWBVYMOZLYDM-JXFKEZNVSA-N 2 2 341.499 3.290 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCCO2 ZINC000453278061 310268803 /nfs/dbraw/zinc/26/88/03/310268803.db2.gz YNEDPJNNHHAKQO-AZUAARDMSA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCCO2 ZINC000453278061 310268804 /nfs/dbraw/zinc/26/88/04/310268804.db2.gz YNEDPJNNHHAKQO-AZUAARDMSA-N 2 2 346.515 3.460 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453441630 310277415 /nfs/dbraw/zinc/27/74/15/310277415.db2.gz WXYJJKUTHNQJGF-ZHALLVOQSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453441630 310277416 /nfs/dbraw/zinc/27/74/16/310277416.db2.gz WXYJJKUTHNQJGF-ZHALLVOQSA-N 2 2 331.504 3.087 20 0 EGADLP CSCC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000455765060 310376211 /nfs/dbraw/zinc/37/62/11/310376211.db2.gz AQTGRBFEFGOEPW-OAHLLOKOSA-N 2 2 331.441 3.201 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)ccc21 ZINC000456272127 310395953 /nfs/dbraw/zinc/39/59/53/310395953.db2.gz LDGWYQFQQJFHKX-NHCUHLMSSA-N 2 2 349.478 3.449 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000456272127 310395954 /nfs/dbraw/zinc/39/59/54/310395954.db2.gz LDGWYQFQQJFHKX-NHCUHLMSSA-N 2 2 349.478 3.449 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000456415917 310405300 /nfs/dbraw/zinc/40/53/00/310405300.db2.gz JOEVECBXDOHJTM-PBHICJAKSA-N 2 2 326.444 3.161 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000459059896 310532114 /nfs/dbraw/zinc/53/21/14/310532114.db2.gz NUGCVMSXOFPXRG-MRXNPFEDSA-N 2 2 349.523 3.308 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000459394914 310549812 /nfs/dbraw/zinc/54/98/12/310549812.db2.gz SSHRCJVMKHIDEJ-UHFFFAOYSA-N 3 2 331.479 3.007 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000459441000 310552988 /nfs/dbraw/zinc/55/29/88/310552988.db2.gz KERWSHDVXKKROR-QZTJIDSGSA-N 2 2 340.870 3.255 20 0 EGADLP C[NH+](C)CCN(Cc1ccsc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000459734427 310571787 /nfs/dbraw/zinc/57/17/87/310571787.db2.gz FSTRRVMVAWTVPU-UHFFFAOYSA-N 2 2 346.422 3.071 20 0 EGADLP O=C(/C=C\c1ccnc2ccccc12)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491849871 311192443 /nfs/dbraw/zinc/19/24/43/311192443.db2.gz WTIFUMKQNBSLDE-WAYWQWQTSA-N 2 2 341.374 3.467 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000492540739 311263420 /nfs/dbraw/zinc/26/34/20/311263420.db2.gz WMBSVERJYMPDHW-CMDGGOBGSA-N 2 2 344.503 3.076 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000492797281 311292116 /nfs/dbraw/zinc/29/21/16/311292116.db2.gz YADWKNBNXKNDRV-OWCLPIDISA-N 2 2 348.491 3.014 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810294 311294181 /nfs/dbraw/zinc/29/41/81/311294181.db2.gz HXLFLHZYZFCPFE-QWPQOLDESA-N 2 2 344.846 3.030 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000493335070 311361204 /nfs/dbraw/zinc/36/12/04/311361204.db2.gz LBLZVKKEIJIIGQ-KHPPLWFESA-N 2 2 340.471 3.074 20 0 EGADLP CCCOc1c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cccc1OCC ZINC000494401645 311475483 /nfs/dbraw/zinc/47/54/83/311475483.db2.gz BEVQIAXHVLPUAI-INIZCTEOSA-N 2 2 329.444 3.175 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494431669 311477651 /nfs/dbraw/zinc/47/76/51/311477651.db2.gz FKYGZIDIWLZPQO-IBGZPJMESA-N 2 2 349.482 3.158 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471589 312049831 /nfs/dbraw/zinc/04/98/31/312049831.db2.gz DNLBNVWEGLOVRO-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471589 312049832 /nfs/dbraw/zinc/04/98/32/312049832.db2.gz DNLBNVWEGLOVRO-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471589 312049834 /nfs/dbraw/zinc/04/98/34/312049834.db2.gz DNLBNVWEGLOVRO-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471589 312049836 /nfs/dbraw/zinc/04/98/36/312049836.db2.gz DNLBNVWEGLOVRO-FGTMMUONSA-N 2 2 337.552 3.266 20 0 EGADLP COc1cccc(C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000513377539 312208622 /nfs/dbraw/zinc/20/86/22/312208622.db2.gz MIJOFQVQTATWNQ-RBUKOAKNSA-N 2 2 334.529 3.043 20 0 EGADLP COCc1nc(C[NH2+]Cc2c[nH+]c(C)n2C)c(-c2ccccc2)s1 ZINC000514798214 312246141 /nfs/dbraw/zinc/24/61/41/312246141.db2.gz HBLKTWFOTYWQNE-UHFFFAOYSA-N 2 2 342.468 3.288 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccn12 ZINC000514947575 312256173 /nfs/dbraw/zinc/25/61/73/312256173.db2.gz DHZDCQRVXYSIHQ-UHFFFAOYSA-N 2 2 348.450 3.037 20 0 EGADLP c1[nH+]c2c(n1Cc1cncc(Cn3c[nH+]c4c3CCCC4)c1)CCCC2 ZINC000516394891 312322528 /nfs/dbraw/zinc/32/25/28/312322528.db2.gz ITJWVZWLGOJWDF-UHFFFAOYSA-N 2 2 347.466 3.329 20 0 EGADLP Cc1csc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000520568954 312511500 /nfs/dbraw/zinc/51/15/00/312511500.db2.gz NUCHADXIDTYQCS-HNNXBMFYSA-N 2 2 329.469 3.174 20 0 EGADLP COCCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000528577261 313122024 /nfs/dbraw/zinc/12/20/24/313122024.db2.gz MBUZGXSVVBESHT-NRFANRHFSA-N 2 2 346.515 3.026 20 0 EGADLP COCCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000528577261 313122026 /nfs/dbraw/zinc/12/20/26/313122026.db2.gz MBUZGXSVVBESHT-NRFANRHFSA-N 2 2 346.515 3.026 20 0 EGADLP COC(=O)[C@H](c1cccc(Cl)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532926167 313854364 /nfs/dbraw/zinc/85/43/64/313854364.db2.gz UJIPYMUILMSDBB-KRWDZBQOSA-N 2 2 338.879 3.218 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129630 313954703 /nfs/dbraw/zinc/95/47/03/313954703.db2.gz XMOQRSYGBJAOOI-NUJGCVRESA-N 2 2 344.503 3.041 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090230123 454296231 /nfs/dbraw/zinc/29/62/31/454296231.db2.gz BCWPVVCYAPRJMJ-UONOGXRCSA-N 2 2 339.277 3.174 20 0 EGADLP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(C)c[nH+]1 ZINC000535060470 314021754 /nfs/dbraw/zinc/02/17/54/314021754.db2.gz VUHAFDLQCHGHAJ-UHFFFAOYSA-N 2 2 340.471 3.282 20 0 EGADLP Cc1cc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(C)c[nH+]1 ZINC000535060470 314021756 /nfs/dbraw/zinc/02/17/56/314021756.db2.gz VUHAFDLQCHGHAJ-UHFFFAOYSA-N 2 2 340.471 3.282 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c(C)c[nH+]1 ZINC000535774761 314072531 /nfs/dbraw/zinc/07/25/31/314072531.db2.gz FKRVODPAXZVKBN-UHFFFAOYSA-N 2 2 340.471 3.152 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c(C)c[nH+]1 ZINC000535774761 314072533 /nfs/dbraw/zinc/07/25/33/314072533.db2.gz FKRVODPAXZVKBN-UHFFFAOYSA-N 2 2 340.471 3.152 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536463433 314115284 /nfs/dbraw/zinc/11/52/84/314115284.db2.gz MBGMESUVYHREOR-HOTGVXAUSA-N 2 2 340.471 3.360 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536463433 314115287 /nfs/dbraw/zinc/11/52/87/314115287.db2.gz MBGMESUVYHREOR-HOTGVXAUSA-N 2 2 340.471 3.360 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619219 314131162 /nfs/dbraw/zinc/13/11/62/314131162.db2.gz NPECPEWHRMICAT-FUHWJXTLSA-N 2 2 338.455 3.077 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619219 314131167 /nfs/dbraw/zinc/13/11/67/314131167.db2.gz NPECPEWHRMICAT-FUHWJXTLSA-N 2 2 338.455 3.077 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000538112755 314227136 /nfs/dbraw/zinc/22/71/36/314227136.db2.gz JGHRKSJKBZRPJP-LAUBAEHRSA-N 2 2 346.515 3.484 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C3CCOCC3)c(C)c2)CC1 ZINC000538508634 314251216 /nfs/dbraw/zinc/25/12/16/314251216.db2.gz WCZUDUAPYFUFNK-KRWDZBQOSA-N 2 2 331.504 3.364 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722667 314269873 /nfs/dbraw/zinc/26/98/73/314269873.db2.gz FUEYYBUMIZRHOM-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722667 314269875 /nfs/dbraw/zinc/26/98/75/314269875.db2.gz FUEYYBUMIZRHOM-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722667 314269877 /nfs/dbraw/zinc/26/98/77/314269877.db2.gz FUEYYBUMIZRHOM-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722667 314269878 /nfs/dbraw/zinc/26/98/78/314269878.db2.gz FUEYYBUMIZRHOM-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722668 314269967 /nfs/dbraw/zinc/26/99/67/314269967.db2.gz FUEYYBUMIZRHOM-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722668 314269970 /nfs/dbraw/zinc/26/99/70/314269970.db2.gz FUEYYBUMIZRHOM-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722668 314269972 /nfs/dbraw/zinc/26/99/72/314269972.db2.gz FUEYYBUMIZRHOM-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722668 314269975 /nfs/dbraw/zinc/26/99/75/314269975.db2.gz FUEYYBUMIZRHOM-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP Cc1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C)c[nH+]1 ZINC000543963335 314664904 /nfs/dbraw/zinc/66/49/04/314664904.db2.gz HUTCYMMPOHQLEG-UHFFFAOYSA-N 2 2 341.459 3.041 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000549920939 315110425 /nfs/dbraw/zinc/11/04/25/315110425.db2.gz AUXHBORNCXPZOA-FQEVSTJZSA-N 2 2 344.474 3.229 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000549920939 315110427 /nfs/dbraw/zinc/11/04/27/315110427.db2.gz AUXHBORNCXPZOA-FQEVSTJZSA-N 2 2 344.474 3.229 20 0 EGADLP CC[C@@H](C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1)[NH+](CC)CC ZINC000550160819 315119031 /nfs/dbraw/zinc/11/90/31/315119031.db2.gz YZPSIJCWCAIKLR-SFHVURJKSA-N 2 2 342.487 3.416 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)Cc3cccs3)c2cc1C ZINC000552570323 315225475 /nfs/dbraw/zinc/22/54/75/315225475.db2.gz BIELQWAXQGDVPZ-JKSUJKDBSA-N 2 2 343.496 3.296 20 0 EGADLP CC[C@H]1CC[C@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000554349138 315312268 /nfs/dbraw/zinc/31/22/68/315312268.db2.gz JYRJQYWSHRRGAQ-LEWJYISDSA-N 2 2 329.532 3.363 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3CCC(C)CC3)c2cc1C ZINC000560327744 315674439 /nfs/dbraw/zinc/67/44/39/315674439.db2.gz VEFZWEAEIJFHKE-UYJHFMRCSA-N 2 2 329.488 3.430 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000563375681 316010684 /nfs/dbraw/zinc/01/06/84/316010684.db2.gz XAZXUJBGROHHQG-INIZCTEOSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000563375681 316010688 /nfs/dbraw/zinc/01/06/88/316010688.db2.gz XAZXUJBGROHHQG-INIZCTEOSA-N 2 2 340.471 3.255 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)ccn12 ZINC000563385270 316013172 /nfs/dbraw/zinc/01/31/72/316013172.db2.gz TWIVAVURMHLBHM-LJQANCHMSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)ccn12 ZINC000563385270 316013175 /nfs/dbraw/zinc/01/31/75/316013175.db2.gz TWIVAVURMHLBHM-LJQANCHMSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1nc([C@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670215 316053238 /nfs/dbraw/zinc/05/32/38/316053238.db2.gz MYSYZZVWPBWRIH-XJKSGUPXSA-N 2 2 349.862 3.414 20 0 EGADLP Cc1nc([C@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670215 316053242 /nfs/dbraw/zinc/05/32/42/316053242.db2.gz MYSYZZVWPBWRIH-XJKSGUPXSA-N 2 2 349.862 3.414 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(F)cn1 ZINC000563737032 316063341 /nfs/dbraw/zinc/06/33/41/316063341.db2.gz CJRPEOSTTUJGSC-CHWSQXEVSA-N 2 2 346.450 3.389 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000563916979 316089277 /nfs/dbraw/zinc/08/92/77/316089277.db2.gz NFHGJXMIBUAQBA-SFHVURJKSA-N 2 2 334.504 3.169 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563975902 316099420 /nfs/dbraw/zinc/09/94/20/316099420.db2.gz JZVSYHJCZDDGOO-BASYENTBSA-N 3 2 339.886 3.331 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563975902 316099422 /nfs/dbraw/zinc/09/94/22/316099422.db2.gz JZVSYHJCZDDGOO-BASYENTBSA-N 3 2 339.886 3.331 20 0 EGADLP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328122 316137143 /nfs/dbraw/zinc/13/71/43/316137143.db2.gz BAGBQNDXFOLNEH-RTBURBONSA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328122 316137145 /nfs/dbraw/zinc/13/71/45/316137145.db2.gz BAGBQNDXFOLNEH-RTBURBONSA-N 2 2 338.455 3.375 20 0 EGADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000564417523 316149438 /nfs/dbraw/zinc/14/94/38/316149438.db2.gz CDKFGEPWCFMZFT-INIZCTEOSA-N 2 2 341.459 3.462 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000564844005 316215547 /nfs/dbraw/zinc/21/55/47/316215547.db2.gz HLLKCEOBQGHGFM-DYESRHJHSA-N 2 2 335.451 3.186 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000564844808 316216238 /nfs/dbraw/zinc/21/62/38/316216238.db2.gz QEPVHEPXBVTBME-DYESRHJHSA-N 2 2 335.451 3.186 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000565155883 316277300 /nfs/dbraw/zinc/27/73/00/316277300.db2.gz HVHRHDMRJLDLBH-JSGCOSHPSA-N 2 2 326.868 3.449 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000565155883 316277301 /nfs/dbraw/zinc/27/73/01/316277301.db2.gz HVHRHDMRJLDLBH-JSGCOSHPSA-N 2 2 326.868 3.449 20 0 EGADLP CCCNC(=O)CCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000565900486 316386632 /nfs/dbraw/zinc/38/66/32/316386632.db2.gz YUSNSZIFBDIOKM-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CCCNC(=O)CCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000565900486 316386634 /nfs/dbraw/zinc/38/66/34/316386634.db2.gz YUSNSZIFBDIOKM-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566196043 316435167 /nfs/dbraw/zinc/43/51/67/316435167.db2.gz CXGQOSGFKQCLSN-GDBMZVCRSA-N 2 2 326.444 3.349 20 0 EGADLP Brc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000112119211 454880970 /nfs/dbraw/zinc/88/09/70/454880970.db2.gz MQOFDFGGAUAVBV-UHFFFAOYSA-N 2 2 332.245 3.166 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462599 317059187 /nfs/dbraw/zinc/05/91/87/317059187.db2.gz IOKDSEUDDKSQQV-QAPCUYQASA-N 2 2 336.439 3.223 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462599 317059190 /nfs/dbraw/zinc/05/91/90/317059190.db2.gz IOKDSEUDDKSQQV-QAPCUYQASA-N 2 2 336.439 3.223 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000570817771 317113079 /nfs/dbraw/zinc/11/30/79/317113079.db2.gz VLNDQWNYZYNLFT-OJAHFUOMSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000570817771 317113083 /nfs/dbraw/zinc/11/30/83/317113083.db2.gz VLNDQWNYZYNLFT-OJAHFUOMSA-N 2 2 344.499 3.361 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)ccc2n1C1CC1 ZINC000571178209 317163222 /nfs/dbraw/zinc/16/32/22/317163222.db2.gz ZHFKYBOLDWAJPW-UHFFFAOYSA-N 2 2 340.471 3.028 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[N@H+]3CCC(C)(C)C3)ccc2n1C1CC1 ZINC000571178209 317163225 /nfs/dbraw/zinc/16/32/25/317163225.db2.gz ZHFKYBOLDWAJPW-UHFFFAOYSA-N 2 2 340.471 3.028 20 0 EGADLP Cc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000571822114 317252617 /nfs/dbraw/zinc/25/26/17/317252617.db2.gz ICBKXRRDFOMHBX-MRXNPFEDSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000572081977 317287341 /nfs/dbraw/zinc/28/73/41/317287341.db2.gz ZRLQFSDXNRZYIN-OAQYLSRUSA-N 2 2 342.458 3.389 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000572081977 317287344 /nfs/dbraw/zinc/28/73/44/317287344.db2.gz ZRLQFSDXNRZYIN-OAQYLSRUSA-N 2 2 342.458 3.389 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271459453 455645061 /nfs/dbraw/zinc/64/50/61/455645061.db2.gz HFYQMEIZOAEFRO-GMIGKAJZSA-N 2 2 328.859 3.485 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271459453 455645066 /nfs/dbraw/zinc/64/50/66/455645066.db2.gz HFYQMEIZOAEFRO-GMIGKAJZSA-N 2 2 328.859 3.485 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH+]1 ZINC000179589460 323395006 /nfs/dbraw/zinc/39/50/06/323395006.db2.gz YRMAMPWXYKBVDE-QGZVFWFLSA-N 2 2 335.407 3.443 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)[nH+]1 ZINC000179589460 323395011 /nfs/dbraw/zinc/39/50/11/323395011.db2.gz YRMAMPWXYKBVDE-QGZVFWFLSA-N 2 2 335.407 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000382471362 324251659 /nfs/dbraw/zinc/25/16/59/324251659.db2.gz PULIBHWCZZYCNS-UGUYLWEFSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000382471362 324251662 /nfs/dbraw/zinc/25/16/62/324251662.db2.gz PULIBHWCZZYCNS-UGUYLWEFSA-N 2 2 337.508 3.037 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263646 /nfs/dbraw/zinc/26/36/46/324263646.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263652 /nfs/dbraw/zinc/26/36/52/324263652.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263657 /nfs/dbraw/zinc/26/36/57/324263657.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@H+]5CCCC[C@@H]45)[C@H]3C2)cc1 ZINC000385803310 324263660 /nfs/dbraw/zinc/26/36/60/324263660.db2.gz KKXWGCYTCJSPEN-KGWSWXIGSA-N 3 2 339.527 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000578065128 324911906 /nfs/dbraw/zinc/91/19/06/324911906.db2.gz JUQBFAFZHYILBP-IDPBPBMLSA-N 2 2 326.484 3.432 20 0 EGADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578975761 325044548 /nfs/dbraw/zinc/04/45/48/325044548.db2.gz BLOLFNJJCFASDT-GFCCVEGCSA-N 2 2 335.249 3.055 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000580431764 325249578 /nfs/dbraw/zinc/24/95/78/325249578.db2.gz AAYORDDFEYJVQV-VCBZYWHSSA-N 2 2 338.455 3.125 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000581662860 325380655 /nfs/dbraw/zinc/38/06/55/325380655.db2.gz BFMCNURXRODANS-DBXWQHBBSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000581662860 325380657 /nfs/dbraw/zinc/38/06/57/325380657.db2.gz BFMCNURXRODANS-DBXWQHBBSA-N 2 2 326.484 3.261 20 0 EGADLP FC(F)(F)c1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000183059461 455219522 /nfs/dbraw/zinc/21/95/22/455219522.db2.gz WAHCNBWHHOIUMV-UHFFFAOYSA-N 2 2 338.377 3.114 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423531539 458452086 /nfs/dbraw/zinc/45/20/86/458452086.db2.gz YAYFKWVRWUXIMK-GOEBONIOSA-N 2 2 326.868 3.014 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)C1CC1 ZINC000430552956 458459710 /nfs/dbraw/zinc/45/97/10/458459710.db2.gz CDPTYWJUQARHLF-AWEZNQCLSA-N 2 2 349.784 3.014 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430585825 458466908 /nfs/dbraw/zinc/46/69/08/458466908.db2.gz RJDBAOCJFGFORE-ZFWWWQNUSA-N 2 2 325.884 3.281 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183252303 455261300 /nfs/dbraw/zinc/26/13/00/455261300.db2.gz RRJFQWNFPBWRFY-IEBWSBKVSA-N 2 2 334.479 3.191 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183252303 455261303 /nfs/dbraw/zinc/26/13/03/455261303.db2.gz RRJFQWNFPBWRFY-IEBWSBKVSA-N 2 2 334.479 3.191 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181109100 455289566 /nfs/dbraw/zinc/28/95/66/455289566.db2.gz VPQMDAXGKKBIIX-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489423 455307680 /nfs/dbraw/zinc/30/76/80/455307680.db2.gz KDXDQRYRMCDUOG-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489423 455307685 /nfs/dbraw/zinc/30/76/85/455307685.db2.gz KDXDQRYRMCDUOG-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489423 455307689 /nfs/dbraw/zinc/30/76/89/455307689.db2.gz KDXDQRYRMCDUOG-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@@H]21 ZINC000158489423 455307692 /nfs/dbraw/zinc/30/76/92/455307692.db2.gz KDXDQRYRMCDUOG-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265480306 455332756 /nfs/dbraw/zinc/33/27/56/455332756.db2.gz KPDVGCLZHSMOFS-ZDUSSCGKSA-N 2 2 330.407 3.064 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911964 455340982 /nfs/dbraw/zinc/34/09/82/455340982.db2.gz NUVNGWOATPAJEN-YESZJQIVSA-N 2 2 349.544 3.074 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911964 455340985 /nfs/dbraw/zinc/34/09/85/455340985.db2.gz NUVNGWOATPAJEN-YESZJQIVSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911964 455340989 /nfs/dbraw/zinc/34/09/89/455340989.db2.gz NUVNGWOATPAJEN-YESZJQIVSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911964 455340993 /nfs/dbraw/zinc/34/09/93/455340993.db2.gz NUVNGWOATPAJEN-YESZJQIVSA-N 2 2 349.544 3.074 20 0 EGADLP Cc1cc(C)cc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000605437393 460581152 /nfs/dbraw/zinc/58/11/52/460581152.db2.gz PFQFYKBSRZBRQO-LJQANCHMSA-N 2 2 337.467 3.421 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000631862681 460583210 /nfs/dbraw/zinc/58/32/10/460583210.db2.gz LECNWNYDPVXHOP-UHFFFAOYSA-N 2 2 326.440 3.025 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975048 455346651 /nfs/dbraw/zinc/34/66/51/455346651.db2.gz YWADARVUUKAXGV-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975048 455346654 /nfs/dbraw/zinc/34/66/54/455346654.db2.gz YWADARVUUKAXGV-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975048 455346658 /nfs/dbraw/zinc/34/66/58/455346658.db2.gz YWADARVUUKAXGV-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975048 455346661 /nfs/dbraw/zinc/34/66/61/455346661.db2.gz YWADARVUUKAXGV-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517139 453880965 /nfs/dbraw/zinc/88/09/65/453880965.db2.gz WNCHKXMKBRPBBK-DLBZAZTESA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517139 453880968 /nfs/dbraw/zinc/88/09/68/453880968.db2.gz WNCHKXMKBRPBBK-DLBZAZTESA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517139 453880971 /nfs/dbraw/zinc/88/09/71/453880971.db2.gz WNCHKXMKBRPBBK-DLBZAZTESA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517139 453880973 /nfs/dbraw/zinc/88/09/73/453880973.db2.gz WNCHKXMKBRPBBK-DLBZAZTESA-N 2 2 331.504 3.240 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4cccnc43)CC2)nc1 ZINC000075809226 453927995 /nfs/dbraw/zinc/92/79/95/453927995.db2.gz ZPDGDVVQCKVKSZ-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000076002453 453947657 /nfs/dbraw/zinc/94/76/57/453947657.db2.gz HZKZXTAKRQDYQP-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000076002453 453947658 /nfs/dbraw/zinc/94/76/58/453947658.db2.gz HZKZXTAKRQDYQP-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000076898021 454047324 /nfs/dbraw/zinc/04/73/24/454047324.db2.gz IVOIDTFWVYBWBV-LBPRGKRZSA-N 2 2 348.821 3.142 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000077248957 454082420 /nfs/dbraw/zinc/08/24/20/454082420.db2.gz NKLHTYWXIPPZAA-UHFFFAOYSA-N 2 2 338.879 3.417 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000077248957 454082422 /nfs/dbraw/zinc/08/24/22/454082422.db2.gz NKLHTYWXIPPZAA-UHFFFAOYSA-N 2 2 338.879 3.417 20 0 EGADLP Cc1cc(N2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000069228929 454088105 /nfs/dbraw/zinc/08/81/05/454088105.db2.gz AFQGQQNMZSCONU-CYBMUJFWSA-N 2 2 332.398 3.255 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000044559110 454106933 /nfs/dbraw/zinc/10/69/33/454106933.db2.gz MAINQPOOHAPGMH-LLVKDONJSA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000044559110 454106936 /nfs/dbraw/zinc/10/69/36/454106936.db2.gz MAINQPOOHAPGMH-LLVKDONJSA-N 2 2 330.259 3.135 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)nc1 ZINC000069710666 454136453 /nfs/dbraw/zinc/13/64/53/454136453.db2.gz XGOJDPXKFDMYGJ-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000071147058 454201051 /nfs/dbraw/zinc/20/10/51/454201051.db2.gz RMNBINUSXHKASH-NSHDSACASA-N 2 2 347.684 3.023 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000071147058 454201058 /nfs/dbraw/zinc/20/10/58/454201058.db2.gz RMNBINUSXHKASH-NSHDSACASA-N 2 2 347.684 3.023 20 0 EGADLP O[C@H]1C[C@H](CNc2cc[nH+]c3ccsc32)[N@H+](Cc2ccccc2)C1 ZINC000089644547 454172932 /nfs/dbraw/zinc/17/29/32/454172932.db2.gz XLTSYDWEVSHNMJ-CVEARBPZSA-N 2 2 339.464 3.344 20 0 EGADLP O[C@H]1C[C@H](CNc2cc[nH+]c3ccsc32)[N@@H+](Cc2ccccc2)C1 ZINC000089644547 454172935 /nfs/dbraw/zinc/17/29/35/454172935.db2.gz XLTSYDWEVSHNMJ-CVEARBPZSA-N 2 2 339.464 3.344 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1 ZINC000089722290 454183419 /nfs/dbraw/zinc/18/34/19/454183419.db2.gz NLGNXDMBCITZFO-UEXGIBASSA-N 2 2 339.483 3.349 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1 ZINC000089722290 454183425 /nfs/dbraw/zinc/18/34/25/454183425.db2.gz NLGNXDMBCITZFO-UEXGIBASSA-N 2 2 339.483 3.349 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095423647 454209309 /nfs/dbraw/zinc/20/93/09/454209309.db2.gz MWNWWBCZCNTJQN-SFHVURJKSA-N 2 2 330.472 3.133 20 0 EGADLP c1cn(-c2cc(N[C@@H](C[NH+]3CCCCC3)c3ccccc3)ncn2)c[nH+]1 ZINC000078333903 454233264 /nfs/dbraw/zinc/23/32/64/454233264.db2.gz QXYRKCFLNIHORP-SFHVURJKSA-N 2 2 348.454 3.301 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000119960164 454241182 /nfs/dbraw/zinc/24/11/82/454241182.db2.gz XYMLEIZBVZFBHY-KFWWJZLASA-N 2 2 342.430 3.438 20 0 EGADLP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095968303 454242294 /nfs/dbraw/zinc/24/22/94/454242294.db2.gz XBLKIWZEHBXNBC-KSSFIOAISA-N 2 2 327.453 3.492 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000090047031 454266270 /nfs/dbraw/zinc/26/62/70/454266270.db2.gz SJWMRXKNFLXAHM-ZIAGYGMSSA-N 2 2 328.403 3.049 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000090048290 454266600 /nfs/dbraw/zinc/26/66/00/454266600.db2.gz ZHSVNSMEXYMKPX-AEFFLSMTSA-N 2 2 330.472 3.133 20 0 EGADLP CC(C)C[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[NH+](C)C ZINC000131892418 454295005 /nfs/dbraw/zinc/29/50/05/454295005.db2.gz QNPRSWDCBWIRND-BATSVXPKSA-N 2 2 343.515 3.385 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090230123 454296227 /nfs/dbraw/zinc/29/62/27/454296227.db2.gz BCWPVVCYAPRJMJ-UONOGXRCSA-N 2 2 339.277 3.174 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000060615142 454306524 /nfs/dbraw/zinc/30/65/24/454306524.db2.gz FQPGVABJLCFPAA-UHFFFAOYSA-N 2 2 334.423 3.245 20 0 EGADLP c1c2ccccc2[nH]c1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090577432 454322965 /nfs/dbraw/zinc/32/29/65/454322965.db2.gz YBGDXASNEKPRLK-UHFFFAOYSA-N 2 2 334.467 3.360 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000090667084 454334420 /nfs/dbraw/zinc/33/44/20/454334420.db2.gz AENBRDIBPLZHRW-DNVCBOLYSA-N 2 2 339.487 3.008 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759255 454336536 /nfs/dbraw/zinc/33/65/36/454336536.db2.gz YNAUOTCTPWWLPL-SJORKVTESA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759255 454336539 /nfs/dbraw/zinc/33/65/39/454336539.db2.gz YNAUOTCTPWWLPL-SJORKVTESA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759255 454336544 /nfs/dbraw/zinc/33/65/44/454336544.db2.gz YNAUOTCTPWWLPL-SJORKVTESA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072759255 454336546 /nfs/dbraw/zinc/33/65/46/454336546.db2.gz YNAUOTCTPWWLPL-SJORKVTESA-N 2 2 347.503 3.137 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)Cn1cc[nH+]c1 ZINC000062254463 454372927 /nfs/dbraw/zinc/37/29/27/454372927.db2.gz GUQIYVGAOLLAQA-CYBMUJFWSA-N 2 2 335.835 3.124 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccccn1)Cn1cc[nH+]c1 ZINC000062254458 454372938 /nfs/dbraw/zinc/37/29/38/454372938.db2.gz SMONOPSZSNVFHT-KRWDZBQOSA-N 2 2 336.439 3.283 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000132997798 454384069 /nfs/dbraw/zinc/38/40/69/454384069.db2.gz IXYSSSWHBZERAG-IRXDYDNUSA-N 2 2 343.515 3.205 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000132997591 454384303 /nfs/dbraw/zinc/38/43/03/454384303.db2.gz IXYSSSWHBZERAG-SJORKVTESA-N 2 2 343.515 3.205 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634972868 460634953 /nfs/dbraw/zinc/63/49/53/460634953.db2.gz JZDKXWQBLWMABX-MRXNPFEDSA-N 2 2 347.466 3.340 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000063582663 454425138 /nfs/dbraw/zinc/42/51/38/454425138.db2.gz REBQFLXTNNOYSY-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000063582663 454425141 /nfs/dbraw/zinc/42/51/41/454425141.db2.gz REBQFLXTNNOYSY-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000091672176 454455737 /nfs/dbraw/zinc/45/57/37/454455737.db2.gz XCHXKBGKBZGTIR-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072828 454515517 /nfs/dbraw/zinc/51/55/17/454515517.db2.gz BHJYVASXSNQQMK-AWEZNQCLSA-N 2 2 325.391 3.319 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072828 454515523 /nfs/dbraw/zinc/51/55/23/454515523.db2.gz BHJYVASXSNQQMK-AWEZNQCLSA-N 2 2 325.391 3.319 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000092073875 454518139 /nfs/dbraw/zinc/51/81/39/454518139.db2.gz OXNQFLYBGPGECI-HNNXBMFYSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000092073875 454518141 /nfs/dbraw/zinc/51/81/41/454518141.db2.gz OXNQFLYBGPGECI-HNNXBMFYSA-N 2 2 325.391 3.114 20 0 EGADLP CO[C@H](C)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000191140115 455451292 /nfs/dbraw/zinc/45/12/92/455451292.db2.gz KAKDFKMMTCOWTJ-MRXNPFEDSA-N 2 2 339.439 3.346 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2C1 ZINC000103447002 454558270 /nfs/dbraw/zinc/55/82/70/454558270.db2.gz TXJSENNZNDIWIU-UHFFFAOYSA-N 2 2 346.434 3.024 20 0 EGADLP C[N@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2C1 ZINC000103447002 454558277 /nfs/dbraw/zinc/55/82/77/454558277.db2.gz TXJSENNZNDIWIU-UHFFFAOYSA-N 2 2 346.434 3.024 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000074397801 454574519 /nfs/dbraw/zinc/57/45/19/454574519.db2.gz UCDHLAGCPJOGJZ-FQEVSTJZSA-N 2 2 348.450 3.213 20 0 EGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135256993 454653627 /nfs/dbraw/zinc/65/36/27/454653627.db2.gz STVSWAKYYYUZSS-RDJZCZTQSA-N 2 2 347.434 3.321 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958795 454656917 /nfs/dbraw/zinc/65/69/17/454656917.db2.gz JEINJFVXLGUNGE-OLZOCXBDSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958795 454656919 /nfs/dbraw/zinc/65/69/19/454656919.db2.gz JEINJFVXLGUNGE-OLZOCXBDSA-N 2 2 332.835 3.270 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000080961131 454659727 /nfs/dbraw/zinc/65/97/27/454659727.db2.gz ADWQTEUIRAEMCA-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000080961131 454659729 /nfs/dbraw/zinc/65/97/29/454659729.db2.gz ADWQTEUIRAEMCA-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000106216572 454686554 /nfs/dbraw/zinc/68/65/54/454686554.db2.gz QTXCFXPWLOYAGG-FUHWJXTLSA-N 2 2 340.471 3.418 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000106216572 454686558 /nfs/dbraw/zinc/68/65/58/454686558.db2.gz QTXCFXPWLOYAGG-FUHWJXTLSA-N 2 2 340.471 3.418 20 0 EGADLP CCC[N@H+](CCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000152654229 454706818 /nfs/dbraw/zinc/70/68/18/454706818.db2.gz UIBXWLSQPJQOSN-UHFFFAOYSA-N 2 2 345.834 3.499 20 0 EGADLP CCC[N@@H+](CCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000152654229 454706823 /nfs/dbraw/zinc/70/68/23/454706823.db2.gz UIBXWLSQPJQOSN-UHFFFAOYSA-N 2 2 345.834 3.499 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(F)cc1Br)Cn1cc[nH+]c1 ZINC000135975047 454712002 /nfs/dbraw/zinc/71/20/02/454712002.db2.gz YZNKYNNLDWMQLL-LLVKDONJSA-N 2 2 326.213 3.211 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000161795325 454723991 /nfs/dbraw/zinc/72/39/91/454723991.db2.gz IOUDAQNYSZVOPJ-PZJWPPBQSA-N 3 2 344.547 3.004 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000161795325 454723993 /nfs/dbraw/zinc/72/39/93/454723993.db2.gz IOUDAQNYSZVOPJ-PZJWPPBQSA-N 3 2 344.547 3.004 20 0 EGADLP CCCCOc1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000136198308 454728122 /nfs/dbraw/zinc/72/81/22/454728122.db2.gz WEHMWUZXIYOLIH-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP CCCCOc1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000136198308 454728127 /nfs/dbraw/zinc/72/81/27/454728127.db2.gz WEHMWUZXIYOLIH-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000124577799 454749480 /nfs/dbraw/zinc/74/94/80/454749480.db2.gz BQKOJQHAOPNKRZ-PWSUYJOCSA-N 2 2 347.684 3.293 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000124577799 454749483 /nfs/dbraw/zinc/74/94/83/454749483.db2.gz BQKOJQHAOPNKRZ-PWSUYJOCSA-N 2 2 347.684 3.293 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000162045018 454747674 /nfs/dbraw/zinc/74/76/74/454747674.db2.gz HPWYDEGTKWWFTA-QGZVFWFLSA-N 2 2 344.455 3.150 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000162273908 454764037 /nfs/dbraw/zinc/76/40/37/454764037.db2.gz IUWGLNZSKPKPEM-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000153157321 454765356 /nfs/dbraw/zinc/76/53/56/454765356.db2.gz JWQHSBSMONMISJ-KGLIPLIRSA-N 2 2 341.293 3.068 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1F ZINC000153191223 454769538 /nfs/dbraw/zinc/76/95/38/454769538.db2.gz BRRHLLFGNMBWJY-UONOGXRCSA-N 2 2 326.481 3.167 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125021875 454790770 /nfs/dbraw/zinc/79/07/70/454790770.db2.gz UXPQJUFOFNZCOG-ICSRJNTNSA-N 2 2 345.531 3.369 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000108370822 454795204 /nfs/dbraw/zinc/79/52/04/454795204.db2.gz HILVEEDGIQJURY-IBGZPJMESA-N 2 2 342.483 3.042 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000138709010 454796993 /nfs/dbraw/zinc/79/69/93/454796993.db2.gz JKOXSNVCEBPQCS-AWEZNQCLSA-N 2 2 347.426 3.069 20 0 EGADLP CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000140587713 454822530 /nfs/dbraw/zinc/82/25/30/454822530.db2.gz FZJNKDHMJWFHHX-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP Cn1c[nH+]cc1CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000125817979 454849793 /nfs/dbraw/zinc/84/97/93/454849793.db2.gz IXBKEMOVFOGRPZ-UHFFFAOYSA-N 2 2 344.462 3.308 20 0 EGADLP CC[C@@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1nc(C)cs1 ZINC000177357128 454856082 /nfs/dbraw/zinc/85/60/82/454856082.db2.gz UWLKDNGJZANKSQ-QGZVFWFLSA-N 2 2 327.457 3.447 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583668 454856836 /nfs/dbraw/zinc/85/68/36/454856836.db2.gz NHUAZXLZJRGYOA-KXBFYZLASA-N 3 2 335.923 3.377 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583668 454856841 /nfs/dbraw/zinc/85/68/41/454856841.db2.gz NHUAZXLZJRGYOA-KXBFYZLASA-N 3 2 335.923 3.377 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768111 454888917 /nfs/dbraw/zinc/88/89/17/454888917.db2.gz LSWGIOHGDJWQQV-LSDHHAIUSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768111 454888919 /nfs/dbraw/zinc/88/89/19/454888919.db2.gz LSWGIOHGDJWQQV-LSDHHAIUSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000154390383 454891335 /nfs/dbraw/zinc/89/13/35/454891335.db2.gz BCSCHMYVIMAMLM-FXAWDEMLSA-N 2 2 342.483 3.147 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000164958930 454891568 /nfs/dbraw/zinc/89/15/68/454891568.db2.gz NSMGIBHRHPSBGF-XLIONFOSSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000164958930 454891570 /nfs/dbraw/zinc/89/15/70/454891570.db2.gz NSMGIBHRHPSBGF-XLIONFOSSA-N 2 2 337.467 3.268 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165397082 454900130 /nfs/dbraw/zinc/90/01/30/454900130.db2.gz CWJUQTVJYHTCGR-IBGZPJMESA-N 2 2 342.462 3.191 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150855186 454902643 /nfs/dbraw/zinc/90/26/43/454902643.db2.gz XCCHEDUWEAQXOE-HZPDHXFCSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150855186 454902649 /nfs/dbraw/zinc/90/26/49/454902649.db2.gz XCCHEDUWEAQXOE-HZPDHXFCSA-N 2 2 349.906 3.393 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177794751 454906343 /nfs/dbraw/zinc/90/63/43/454906343.db2.gz IAMFMMLEHRGWMO-AEFFLSMTSA-N 2 2 346.434 3.328 20 0 EGADLP COc1ccc([C@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)cc1OC ZINC000177804093 454907577 /nfs/dbraw/zinc/90/75/77/454907577.db2.gz CSUBMZWHNFUYEL-INIZCTEOSA-N 2 2 344.459 3.134 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256505 454909768 /nfs/dbraw/zinc/90/97/68/454909768.db2.gz KHTBTFLRXFCCKK-KCQAQPDRSA-N 2 2 327.472 3.192 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256505 454909773 /nfs/dbraw/zinc/90/97/73/454909773.db2.gz KHTBTFLRXFCCKK-KCQAQPDRSA-N 2 2 327.472 3.192 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000166367830 454910688 /nfs/dbraw/zinc/91/06/88/454910688.db2.gz IUASVFABFUAPRT-UHFFFAOYSA-N 2 2 333.382 3.314 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000154688903 454919790 /nfs/dbraw/zinc/91/97/90/454919790.db2.gz XAJOUGZDMSVMDV-KDOFPFPSSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000154688903 454919793 /nfs/dbraw/zinc/91/97/93/454919793.db2.gz XAJOUGZDMSVMDV-KDOFPFPSSA-N 2 2 329.419 3.443 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)cs2)cc1 ZINC000113512290 454927981 /nfs/dbraw/zinc/92/79/81/454927981.db2.gz UQATUKBECQGLQV-CQSZACIVSA-N 2 2 331.485 3.202 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cs2)cc1 ZINC000113512290 454927984 /nfs/dbraw/zinc/92/79/84/454927984.db2.gz UQATUKBECQGLQV-CQSZACIVSA-N 2 2 331.485 3.202 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+]2CCCC2)c1 ZINC000154874180 454938590 /nfs/dbraw/zinc/93/85/90/454938590.db2.gz BBDGRZUXAUQVQW-OXJNMPFZSA-N 2 2 332.488 3.237 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)nnn1-c1cccc(Cl)c1 ZINC000151109056 454939079 /nfs/dbraw/zinc/93/90/79/454939079.db2.gz BWNRDMWBRDMYKP-CYBMUJFWSA-N 2 2 344.850 3.167 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114337 454939887 /nfs/dbraw/zinc/93/98/87/454939887.db2.gz KYMRWPKVBHWPDJ-IBGZPJMESA-N 3 2 347.522 3.154 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000151114337 454939889 /nfs/dbraw/zinc/93/98/89/454939889.db2.gz KYMRWPKVBHWPDJ-IBGZPJMESA-N 3 2 347.522 3.154 20 0 EGADLP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000178657935 454966176 /nfs/dbraw/zinc/96/61/76/454966176.db2.gz NKOVSHURAVMNMK-KBPBESRZSA-N 2 2 326.444 3.219 20 0 EGADLP CC[C@H](NC[C@H](Cc1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182358888 455497130 /nfs/dbraw/zinc/49/71/30/455497130.db2.gz KKKCJTNTHDPXNV-OALUTQOASA-N 2 2 328.504 3.414 20 0 EGADLP Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000115376125 455013080 /nfs/dbraw/zinc/01/30/80/455013080.db2.gz GAXJDCSDGWTVRU-MRXNPFEDSA-N 2 2 339.439 3.254 20 0 EGADLP Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000115376125 455013084 /nfs/dbraw/zinc/01/30/84/455013084.db2.gz GAXJDCSDGWTVRU-MRXNPFEDSA-N 2 2 339.439 3.254 20 0 EGADLP CC[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000155663577 455028505 /nfs/dbraw/zinc/02/85/05/455028505.db2.gz FURMDPPQMFYWGX-LJQANCHMSA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000155663577 455028509 /nfs/dbraw/zinc/02/85/09/455028509.db2.gz FURMDPPQMFYWGX-LJQANCHMSA-N 2 2 326.488 3.298 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000151824163 455034819 /nfs/dbraw/zinc/03/48/19/455034819.db2.gz JAGFZTFGSGIZIY-WTGUMLROSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@@H]21 ZINC000151824163 455034822 /nfs/dbraw/zinc/03/48/22/455034822.db2.gz JAGFZTFGSGIZIY-WTGUMLROSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000128223931 455036435 /nfs/dbraw/zinc/03/64/35/455036435.db2.gz UHVFDUKEPRETRO-CZAAIQMYSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000128223931 455036437 /nfs/dbraw/zinc/03/64/37/455036437.db2.gz UHVFDUKEPRETRO-CZAAIQMYSA-N 2 2 342.458 3.154 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309483 455103583 /nfs/dbraw/zinc/10/35/83/455103583.db2.gz WJWNJROWJOOBBY-LJQANCHMSA-N 2 2 328.412 3.012 20 0 EGADLP COc1ccc(OCCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309483 455103589 /nfs/dbraw/zinc/10/35/89/455103589.db2.gz WJWNJROWJOOBBY-LJQANCHMSA-N 2 2 328.412 3.012 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156388287 455112416 /nfs/dbraw/zinc/11/24/16/455112416.db2.gz KRPGBSDHMIIIPP-GUYCJALGSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156388287 455112419 /nfs/dbraw/zinc/11/24/19/455112419.db2.gz KRPGBSDHMIIIPP-GUYCJALGSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156421968 455116538 /nfs/dbraw/zinc/11/65/38/455116538.db2.gz IXBKUADGRJBBSL-PBHICJAKSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156421968 455116540 /nfs/dbraw/zinc/11/65/40/455116540.db2.gz IXBKUADGRJBBSL-PBHICJAKSA-N 2 2 346.862 3.448 20 0 EGADLP COC(=O)C1([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000129686922 455121727 /nfs/dbraw/zinc/12/17/27/455121727.db2.gz CKPBFXJORJFXBF-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP COC(=O)C1([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000129686922 455121731 /nfs/dbraw/zinc/12/17/31/455121731.db2.gz CKPBFXJORJFXBF-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP c1cc(N2CCC(CNc3cc(NCC4CC4)[nH+]cn3)CC2)cc[nH+]1 ZINC000180043789 455122385 /nfs/dbraw/zinc/12/23/85/455122385.db2.gz CTFZUWJIEHWVFH-UHFFFAOYSA-N 2 2 338.459 3.022 20 0 EGADLP c1cc(N2CCC(CNc3cc(NCC4CC4)nc[nH+]3)CC2)cc[nH+]1 ZINC000180043789 455122387 /nfs/dbraw/zinc/12/23/87/455122387.db2.gz CTFZUWJIEHWVFH-UHFFFAOYSA-N 2 2 338.459 3.022 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nc(-c3ccsc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156523113 455127674 /nfs/dbraw/zinc/12/76/74/455127674.db2.gz ODDHMOSAHDJTAJ-JSGCOSHPSA-N 2 2 329.429 3.078 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156523113 455127676 /nfs/dbraw/zinc/12/76/76/455127676.db2.gz ODDHMOSAHDJTAJ-JSGCOSHPSA-N 2 2 329.429 3.078 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156569219 455133961 /nfs/dbraw/zinc/13/39/61/455133961.db2.gz FKXLUVMPFKAILF-JENIJYKNSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156569219 455133963 /nfs/dbraw/zinc/13/39/63/455133963.db2.gz FKXLUVMPFKAILF-JENIJYKNSA-N 2 2 340.471 3.410 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H](C)C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000156681749 455143991 /nfs/dbraw/zinc/14/39/91/455143991.db2.gz OVGIDJBZZLNMEF-OXQOHEQNSA-N 2 2 332.488 3.237 20 0 EGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000156706823 455145502 /nfs/dbraw/zinc/14/55/02/455145502.db2.gz BJPJAVHKNVUEHJ-BQJIDLTASA-N 2 2 341.499 3.141 20 0 EGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000156706823 455145504 /nfs/dbraw/zinc/14/55/04/455145504.db2.gz BJPJAVHKNVUEHJ-BQJIDLTASA-N 2 2 341.499 3.141 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NCCC1CCCCC1 ZINC000157103402 455165001 /nfs/dbraw/zinc/16/50/01/455165001.db2.gz ZCYCLWDCRJBVFM-IBGZPJMESA-N 2 2 335.536 3.023 20 0 EGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NCCC1CCCCC1 ZINC000157103402 455165004 /nfs/dbraw/zinc/16/50/04/455165004.db2.gz ZCYCLWDCRJBVFM-IBGZPJMESA-N 2 2 335.536 3.023 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)o1 ZINC000237375654 455179346 /nfs/dbraw/zinc/17/93/46/455179346.db2.gz ZHPFBVFVHWRATD-PBHICJAKSA-N 2 2 326.444 3.162 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157281916 455180405 /nfs/dbraw/zinc/18/04/05/455180405.db2.gz WLXSHGLZCRFYOW-JEVOJNTISA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157281916 455180406 /nfs/dbraw/zinc/18/04/06/455180406.db2.gz WLXSHGLZCRFYOW-JEVOJNTISA-N 2 2 335.536 3.020 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCC ZINC000157338039 455185084 /nfs/dbraw/zinc/18/50/84/455185084.db2.gz YVWMQMLGQDPVNM-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCC ZINC000157338039 455185088 /nfs/dbraw/zinc/18/50/88/455185088.db2.gz YVWMQMLGQDPVNM-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP COC(=O)c1cc2cc(C[NH+]3CCC([NH2+]C(C)C)CC3)ccc2o1 ZINC000172779802 455187183 /nfs/dbraw/zinc/18/71/83/455187183.db2.gz LAENYTNJEBAEOU-UHFFFAOYSA-N 2 2 330.428 3.182 20 0 EGADLP CCC[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1 ZINC000182907856 455188273 /nfs/dbraw/zinc/18/82/73/455188273.db2.gz RFVQIBLYRXQKEJ-UHFFFAOYSA-N 2 2 334.851 3.277 20 0 EGADLP CCC[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1 ZINC000182907856 455188275 /nfs/dbraw/zinc/18/82/75/455188275.db2.gz RFVQIBLYRXQKEJ-UHFFFAOYSA-N 2 2 334.851 3.277 20 0 EGADLP O=C(N[C@H]1CCC[NH2+]C1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237689827 455207877 /nfs/dbraw/zinc/20/78/77/455207877.db2.gz VFUWAROCUTVSFM-ZDUSSCGKSA-N 2 2 331.803 3.009 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000245437067 455299350 /nfs/dbraw/zinc/29/93/50/455299350.db2.gz DQVWDSAESJXTFB-FUHWJXTLSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000245437067 455299352 /nfs/dbraw/zinc/29/93/52/455299352.db2.gz DQVWDSAESJXTFB-FUHWJXTLSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000245437067 455299354 /nfs/dbraw/zinc/29/93/54/455299354.db2.gz DQVWDSAESJXTFB-FUHWJXTLSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000245437067 455299356 /nfs/dbraw/zinc/29/93/56/455299356.db2.gz DQVWDSAESJXTFB-FUHWJXTLSA-N 2 2 347.503 3.219 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441737 455300309 /nfs/dbraw/zinc/30/03/09/455300309.db2.gz VRNLYOUQQQYZFG-NQIIRXRSSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441737 455300310 /nfs/dbraw/zinc/30/03/10/455300310.db2.gz VRNLYOUQQQYZFG-NQIIRXRSSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441737 455300314 /nfs/dbraw/zinc/30/03/14/455300314.db2.gz VRNLYOUQQQYZFG-NQIIRXRSSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441737 455300315 /nfs/dbraw/zinc/30/03/15/455300315.db2.gz VRNLYOUQQQYZFG-NQIIRXRSSA-N 2 2 345.531 3.164 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446758 455303133 /nfs/dbraw/zinc/30/31/33/455303133.db2.gz LLDMOAAWCPOMTH-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446758 455303136 /nfs/dbraw/zinc/30/31/36/455303136.db2.gz LLDMOAAWCPOMTH-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446758 455303140 /nfs/dbraw/zinc/30/31/40/455303140.db2.gz LLDMOAAWCPOMTH-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C1 ZINC000245446758 455303143 /nfs/dbraw/zinc/30/31/43/455303143.db2.gz LLDMOAAWCPOMTH-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173634342 455319697 /nfs/dbraw/zinc/31/96/97/455319697.db2.gz DQVWDSAESJXTFB-WMZOPIPTSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173634342 455319703 /nfs/dbraw/zinc/31/97/03/455319703.db2.gz DQVWDSAESJXTFB-WMZOPIPTSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173634342 455319709 /nfs/dbraw/zinc/31/97/09/455319709.db2.gz DQVWDSAESJXTFB-WMZOPIPTSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173634342 455319713 /nfs/dbraw/zinc/31/97/13/455319713.db2.gz DQVWDSAESJXTFB-WMZOPIPTSA-N 2 2 347.503 3.219 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245698926 455359550 /nfs/dbraw/zinc/35/95/50/455359550.db2.gz KZDFAUJNRYAMCZ-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245698926 455359554 /nfs/dbraw/zinc/35/95/54/455359554.db2.gz KZDFAUJNRYAMCZ-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000245723019 455364269 /nfs/dbraw/zinc/36/42/69/455364269.db2.gz DODLRDRPPFRSNP-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000245723019 455364274 /nfs/dbraw/zinc/36/42/74/455364274.db2.gz DODLRDRPPFRSNP-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Cl)c1OC ZINC000245723019 455364279 /nfs/dbraw/zinc/36/42/79/455364279.db2.gz DODLRDRPPFRSNP-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)c1OC ZINC000245723019 455364284 /nfs/dbraw/zinc/36/42/84/455364284.db2.gz DODLRDRPPFRSNP-GOEBONIOSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)C[C@@H](C)O1 ZINC000181926265 455400957 /nfs/dbraw/zinc/40/09/57/455400957.db2.gz JBCSCYITSKPUQM-IIDMSEBBSA-N 2 2 336.451 3.128 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccccc2n1C ZINC000191519998 455493407 /nfs/dbraw/zinc/49/34/07/455493407.db2.gz UMVLPKQBKSXCES-UHFFFAOYSA-N 2 2 325.460 3.244 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000191519998 455493410 /nfs/dbraw/zinc/49/34/10/455493410.db2.gz UMVLPKQBKSXCES-UHFFFAOYSA-N 2 2 325.460 3.244 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941077 455537467 /nfs/dbraw/zinc/53/74/67/455537467.db2.gz UEHVGVSFMXZLNZ-BJLQDIEVSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941077 455537471 /nfs/dbraw/zinc/53/74/71/455537471.db2.gz UEHVGVSFMXZLNZ-BJLQDIEVSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941077 455537474 /nfs/dbraw/zinc/53/74/74/455537474.db2.gz UEHVGVSFMXZLNZ-BJLQDIEVSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246941077 455537478 /nfs/dbraw/zinc/53/74/78/455537478.db2.gz UEHVGVSFMXZLNZ-BJLQDIEVSA-N 2 2 349.563 3.266 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000247066025 455554826 /nfs/dbraw/zinc/55/48/26/455554826.db2.gz PXFQXNZEQRQRFP-MGPUTAFESA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000247066025 455554831 /nfs/dbraw/zinc/55/48/31/455554831.db2.gz PXFQXNZEQRQRFP-MGPUTAFESA-N 2 2 345.437 3.403 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000247083083 455556673 /nfs/dbraw/zinc/55/66/73/455556673.db2.gz NPQCASRWBYCWHY-HGKSCXNLSA-N 2 2 331.504 3.085 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000247083083 455556677 /nfs/dbraw/zinc/55/66/77/455556677.db2.gz NPQCASRWBYCWHY-HGKSCXNLSA-N 2 2 331.504 3.085 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000247096694 455558785 /nfs/dbraw/zinc/55/87/85/455558785.db2.gz OKMOYNDTPFTJPF-GHTZIAJQSA-N 2 2 339.483 3.098 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000247096694 455558787 /nfs/dbraw/zinc/55/87/87/455558787.db2.gz OKMOYNDTPFTJPF-GHTZIAJQSA-N 2 2 339.483 3.098 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000247178926 455568785 /nfs/dbraw/zinc/56/87/85/455568785.db2.gz BGHAOEYTCSVABR-CVEARBPZSA-N 2 2 328.460 3.461 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000247178926 455568788 /nfs/dbraw/zinc/56/87/88/455568788.db2.gz BGHAOEYTCSVABR-CVEARBPZSA-N 2 2 328.460 3.461 20 0 EGADLP COc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1 ZINC000185674698 455593895 /nfs/dbraw/zinc/59/38/95/455593895.db2.gz FKBZZZKXCMQIGQ-FOIQADDNSA-N 2 2 328.456 3.485 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717101 455604448 /nfs/dbraw/zinc/60/44/48/455604448.db2.gz QLNYBZAMYVUALA-HOCLYGCPSA-N 2 2 343.519 3.233 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717101 455604453 /nfs/dbraw/zinc/60/44/53/455604453.db2.gz QLNYBZAMYVUALA-HOCLYGCPSA-N 2 2 343.519 3.233 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000247464080 455604586 /nfs/dbraw/zinc/60/45/86/455604586.db2.gz IPZQRYKKPZBHFY-BBWFWOEESA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000247464080 455604588 /nfs/dbraw/zinc/60/45/88/455604588.db2.gz IPZQRYKKPZBHFY-BBWFWOEESA-N 2 2 349.494 3.055 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000277584908 455606490 /nfs/dbraw/zinc/60/64/90/455606490.db2.gz UHXSOTQJZRNXTM-AWEZNQCLSA-N 2 2 334.414 3.271 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000277584908 455606493 /nfs/dbraw/zinc/60/64/93/455606493.db2.gz UHXSOTQJZRNXTM-AWEZNQCLSA-N 2 2 334.414 3.271 20 0 EGADLP CC[N@@H+](Cc1ccccn1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283925906 455612128 /nfs/dbraw/zinc/61/21/28/455612128.db2.gz CKLAQWYKIFTFKZ-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP CC[N@H+](Cc1ccccn1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283925906 455612135 /nfs/dbraw/zinc/61/21/35/455612135.db2.gz CKLAQWYKIFTFKZ-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccccn1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283925906 455612141 /nfs/dbraw/zinc/61/21/41/455612141.db2.gz CKLAQWYKIFTFKZ-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccccn1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283925906 455612146 /nfs/dbraw/zinc/61/21/46/455612146.db2.gz CKLAQWYKIFTFKZ-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185747913 455613546 /nfs/dbraw/zinc/61/35/46/455613546.db2.gz WUJSJCVRGNTMGC-HUUCEWRRSA-N 2 2 334.460 3.117 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185747913 455613551 /nfs/dbraw/zinc/61/35/51/455613551.db2.gz WUJSJCVRGNTMGC-HUUCEWRRSA-N 2 2 334.460 3.117 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000247505929 455614056 /nfs/dbraw/zinc/61/40/56/455614056.db2.gz MSNQNVIHSPGMNJ-GTAWCEEGSA-N 2 2 346.540 3.466 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000247505929 455614061 /nfs/dbraw/zinc/61/40/61/455614061.db2.gz MSNQNVIHSPGMNJ-GTAWCEEGSA-N 2 2 346.540 3.466 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000271386304 455618729 /nfs/dbraw/zinc/61/87/29/455618729.db2.gz SCUUXFUKRXJFDA-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000271386304 455618731 /nfs/dbraw/zinc/61/87/31/455618731.db2.gz SCUUXFUKRXJFDA-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1OC ZINC000271386304 455618734 /nfs/dbraw/zinc/61/87/34/455618734.db2.gz SCUUXFUKRXJFDA-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)c1OC ZINC000271386304 455618736 /nfs/dbraw/zinc/61/87/36/455618736.db2.gz SCUUXFUKRXJFDA-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)c1ccccc1 ZINC000284035849 455627075 /nfs/dbraw/zinc/62/70/75/455627075.db2.gz JMUXXPUULLYKIH-SJLPKXTDSA-N 2 2 329.492 3.074 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247688660 455637963 /nfs/dbraw/zinc/63/79/63/455637963.db2.gz VOFHAQMENDHZBL-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247688660 455637966 /nfs/dbraw/zinc/63/79/66/455637966.db2.gz VOFHAQMENDHZBL-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247688660 455637971 /nfs/dbraw/zinc/63/79/71/455637971.db2.gz VOFHAQMENDHZBL-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247688660 455637976 /nfs/dbraw/zinc/63/79/76/455637976.db2.gz VOFHAQMENDHZBL-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247777644 455644972 /nfs/dbraw/zinc/64/49/72/455644972.db2.gz XAYIDIIBRYBZPT-JTDSTZFVSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247777644 455644977 /nfs/dbraw/zinc/64/49/77/455644977.db2.gz XAYIDIIBRYBZPT-JTDSTZFVSA-N 2 2 340.471 3.356 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247979328 455664548 /nfs/dbraw/zinc/66/45/48/455664548.db2.gz IEGMDEFRXBBGNY-UFYCRDLUSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247979328 455664556 /nfs/dbraw/zinc/66/45/56/455664556.db2.gz IEGMDEFRXBBGNY-UFYCRDLUSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247979328 455664561 /nfs/dbraw/zinc/66/45/61/455664561.db2.gz IEGMDEFRXBBGNY-UFYCRDLUSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247979328 455664566 /nfs/dbraw/zinc/66/45/66/455664566.db2.gz IEGMDEFRXBBGNY-UFYCRDLUSA-N 2 2 343.515 3.060 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000247977939 455665122 /nfs/dbraw/zinc/66/51/22/455665122.db2.gz LRCFIJVUDYLQQC-OXJNMPFZSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000247977939 455665126 /nfs/dbraw/zinc/66/51/26/455665126.db2.gz LRCFIJVUDYLQQC-OXJNMPFZSA-N 2 2 327.447 3.263 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162079 455691631 /nfs/dbraw/zinc/69/16/31/455691631.db2.gz SIDMMNREBCXDDE-LPHOPBHVSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248162079 455691636 /nfs/dbraw/zinc/69/16/36/455691636.db2.gz SIDMMNREBCXDDE-LPHOPBHVSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248162079 455691641 /nfs/dbraw/zinc/69/16/41/455691641.db2.gz SIDMMNREBCXDDE-LPHOPBHVSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248162079 455691646 /nfs/dbraw/zinc/69/16/46/455691646.db2.gz SIDMMNREBCXDDE-LPHOPBHVSA-N 2 2 329.488 3.165 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248167210 455692962 /nfs/dbraw/zinc/69/29/62/455692962.db2.gz TZOBCBIMFFUFEG-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248167210 455692966 /nfs/dbraw/zinc/69/29/66/455692966.db2.gz TZOBCBIMFFUFEG-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248167210 455692969 /nfs/dbraw/zinc/69/29/69/455692969.db2.gz TZOBCBIMFFUFEG-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248167210 455692972 /nfs/dbraw/zinc/69/29/72/455692972.db2.gz TZOBCBIMFFUFEG-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000248198274 455696837 /nfs/dbraw/zinc/69/68/37/455696837.db2.gz XUMWZRNWIMTDIQ-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000248198274 455696843 /nfs/dbraw/zinc/69/68/43/455696843.db2.gz XUMWZRNWIMTDIQ-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000248198274 455696845 /nfs/dbraw/zinc/69/68/45/455696845.db2.gz XUMWZRNWIMTDIQ-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000248198274 455696850 /nfs/dbraw/zinc/69/68/50/455696850.db2.gz XUMWZRNWIMTDIQ-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735738 455733202 /nfs/dbraw/zinc/73/32/02/455733202.db2.gz CZJNTOLYOZATPN-BJLQDIEVSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735738 455733206 /nfs/dbraw/zinc/73/32/06/455733206.db2.gz CZJNTOLYOZATPN-BJLQDIEVSA-N 2 2 340.471 3.173 20 0 EGADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268961091 455745026 /nfs/dbraw/zinc/74/50/26/455745026.db2.gz XJEKLAPIIQDFQS-OALUTQOASA-N 2 2 337.939 3.133 20 0 EGADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268961091 455745028 /nfs/dbraw/zinc/74/50/28/455745028.db2.gz XJEKLAPIIQDFQS-OALUTQOASA-N 2 2 337.939 3.133 20 0 EGADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000269015603 455764733 /nfs/dbraw/zinc/76/47/33/455764733.db2.gz WUDUHWZBIPHXCR-GFCCVEGCSA-N 2 2 345.353 3.118 20 0 EGADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000269015603 455764736 /nfs/dbraw/zinc/76/47/36/455764736.db2.gz WUDUHWZBIPHXCR-GFCCVEGCSA-N 2 2 345.353 3.118 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cs1 ZINC000186437289 455767574 /nfs/dbraw/zinc/76/75/74/455767574.db2.gz OIXFWLCNMYODLH-CQSZACIVSA-N 2 2 348.516 3.453 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827348 455777124 /nfs/dbraw/zinc/77/71/24/455777124.db2.gz DIUZWYXULDNPSZ-IUODEOHRSA-N 2 2 349.862 3.077 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827348 455777126 /nfs/dbraw/zinc/77/71/26/455777126.db2.gz DIUZWYXULDNPSZ-IUODEOHRSA-N 2 2 349.862 3.077 20 0 EGADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278603 455786558 /nfs/dbraw/zinc/78/65/58/455786558.db2.gz AKNOBVDXCSMBQV-WOJBJXKFSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278603 455786561 /nfs/dbraw/zinc/78/65/61/455786561.db2.gz AKNOBVDXCSMBQV-WOJBJXKFSA-N 2 2 349.563 3.077 20 0 EGADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250743833 455789085 /nfs/dbraw/zinc/78/90/85/455789085.db2.gz HATKMVKFMBOVKR-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250743833 455789091 /nfs/dbraw/zinc/78/90/91/455789091.db2.gz HATKMVKFMBOVKR-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000252696223 455829226 /nfs/dbraw/zinc/82/92/26/455829226.db2.gz XOLVEYXOTWUOQE-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000252696223 455829228 /nfs/dbraw/zinc/82/92/28/455829228.db2.gz XOLVEYXOTWUOQE-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000252696223 455829229 /nfs/dbraw/zinc/82/92/29/455829229.db2.gz XOLVEYXOTWUOQE-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000252696223 455829231 /nfs/dbraw/zinc/82/92/31/455829231.db2.gz XOLVEYXOTWUOQE-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187176584 455877240 /nfs/dbraw/zinc/87/72/40/455877240.db2.gz NHKHYUXNQYLWQO-OXJNMPFZSA-N 2 2 348.450 3.294 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251450 455892421 /nfs/dbraw/zinc/89/24/21/455892421.db2.gz CCDHTKWMZBOXRB-WMZOPIPTSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251450 455892423 /nfs/dbraw/zinc/89/24/23/455892423.db2.gz CCDHTKWMZBOXRB-WMZOPIPTSA-N 2 2 338.455 3.422 20 0 EGADLP CC(C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCCCC1 ZINC000194977476 455908027 /nfs/dbraw/zinc/90/80/27/455908027.db2.gz GWEISIRZABLSRJ-RBUKOAKNSA-N 2 2 341.503 3.384 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000261602405 455911485 /nfs/dbraw/zinc/91/14/85/455911485.db2.gz AAQSFJZGEXMQJN-FQEVSTJZSA-N 2 2 335.536 3.151 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000261602405 455911488 /nfs/dbraw/zinc/91/14/88/455911488.db2.gz AAQSFJZGEXMQJN-FQEVSTJZSA-N 2 2 335.536 3.151 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811474 455920398 /nfs/dbraw/zinc/92/03/98/455920398.db2.gz VUURTIHRDBRNIK-TZIWHRDSSA-N 2 2 339.483 3.448 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811474 455920403 /nfs/dbraw/zinc/92/04/03/455920403.db2.gz VUURTIHRDBRNIK-TZIWHRDSSA-N 2 2 339.483 3.448 20 0 EGADLP C[C@H]1COCC[C@H]1[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104942 455922168 /nfs/dbraw/zinc/92/21/68/455922168.db2.gz MUKKSINCLXJTQJ-OXJNMPFZSA-N 2 2 331.504 3.302 20 0 EGADLP Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2cccs2)n1 ZINC000261665246 455923544 /nfs/dbraw/zinc/92/35/44/455923544.db2.gz IOYAZKMVVBFFAO-DLBZAZTESA-N 2 2 338.480 3.075 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2cccs2)n1 ZINC000261665246 455923547 /nfs/dbraw/zinc/92/35/47/455923547.db2.gz IOYAZKMVVBFFAO-DLBZAZTESA-N 2 2 338.480 3.075 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Br)ncc1F ZINC000296402287 455928210 /nfs/dbraw/zinc/92/82/10/455928210.db2.gz KPQLSAABCRLMAM-YEJSDXFRSA-N 2 2 342.256 3.259 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Br)ncc1F ZINC000296402287 455928214 /nfs/dbraw/zinc/92/82/14/455928214.db2.gz KPQLSAABCRLMAM-YEJSDXFRSA-N 2 2 342.256 3.259 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356426 455937120 /nfs/dbraw/zinc/93/71/20/455937120.db2.gz VOFJESAPZRLIQU-BLLLJJGKSA-N 2 2 331.287 3.300 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356426 455937127 /nfs/dbraw/zinc/93/71/27/455937127.db2.gz VOFJESAPZRLIQU-BLLLJJGKSA-N 2 2 331.287 3.300 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356426 455937132 /nfs/dbraw/zinc/93/71/32/455937132.db2.gz VOFJESAPZRLIQU-BLLLJJGKSA-N 2 2 331.287 3.300 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356426 455937139 /nfs/dbraw/zinc/93/71/39/455937139.db2.gz VOFJESAPZRLIQU-BLLLJJGKSA-N 2 2 331.287 3.300 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000261776280 455946648 /nfs/dbraw/zinc/94/66/48/455946648.db2.gz MRNDQGKZVFKHFT-INIZCTEOSA-N 2 2 349.276 3.010 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000261776280 455946654 /nfs/dbraw/zinc/94/66/54/455946654.db2.gz MRNDQGKZVFKHFT-INIZCTEOSA-N 2 2 349.276 3.010 20 0 EGADLP [NH3+][C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1c1ccccc1 ZINC000261794185 455948931 /nfs/dbraw/zinc/94/89/31/455948931.db2.gz VHBKAFWQXVYHSI-DLBZAZTESA-N 2 2 336.464 3.132 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1c1ccccc1 ZINC000261794185 455948937 /nfs/dbraw/zinc/94/89/37/455948937.db2.gz VHBKAFWQXVYHSI-DLBZAZTESA-N 2 2 336.464 3.132 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OC(F)F ZINC000261850283 455959258 /nfs/dbraw/zinc/95/92/58/455959258.db2.gz ZSWKUMHLBDGDOX-OCCSQVGLSA-N 2 2 328.403 3.388 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OC(F)F ZINC000261850283 455959263 /nfs/dbraw/zinc/95/92/63/455959263.db2.gz ZSWKUMHLBDGDOX-OCCSQVGLSA-N 2 2 328.403 3.388 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000261871086 455962829 /nfs/dbraw/zinc/96/28/29/455962829.db2.gz SHJBMIFMTCGDSO-OLZOCXBDSA-N 2 2 345.830 3.337 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000280407976 455965665 /nfs/dbraw/zinc/96/56/65/455965665.db2.gz YHDHFSLJIFGYSE-AWEZNQCLSA-N 2 2 336.785 3.076 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272494869 455970460 /nfs/dbraw/zinc/97/04/60/455970460.db2.gz CTJYIIDAWDCUFC-MRXNPFEDSA-N 2 2 330.394 3.035 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990929 455977364 /nfs/dbraw/zinc/97/73/64/455977364.db2.gz WXZLYHMYSXVKAA-VQTJNVASSA-N 2 2 338.536 3.062 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990929 455977368 /nfs/dbraw/zinc/97/73/68/455977368.db2.gz WXZLYHMYSXVKAA-VQTJNVASSA-N 2 2 338.536 3.062 20 0 EGADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270534939 455978037 /nfs/dbraw/zinc/97/80/37/455978037.db2.gz PNVOICSIFJBHSQ-CYBMUJFWSA-N 2 2 349.276 3.066 20 0 EGADLP CC(C)[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+](C)C ZINC000270549792 455980879 /nfs/dbraw/zinc/98/08/79/455980879.db2.gz YRUAQEHKMAXMBP-LJQANCHMSA-N 2 2 338.455 3.127 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1coc(C[NH3+])c1)c1ccccc1Cl ZINC000188031651 455982890 /nfs/dbraw/zinc/98/28/90/455982890.db2.gz DHRMVXRSCAAAIK-KRWDZBQOSA-N 2 2 349.862 3.205 20 0 EGADLP c1ccc(-c2noc([C@H]3CCCC[N@H+]3C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034330 455987435 /nfs/dbraw/zinc/98/74/35/455987435.db2.gz XNQZYLKWDCXQSP-NVXWUHKLSA-N 2 2 326.444 3.263 20 0 EGADLP c1ccc(-c2noc([C@H]3CCCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034330 455987439 /nfs/dbraw/zinc/98/74/39/455987439.db2.gz XNQZYLKWDCXQSP-NVXWUHKLSA-N 2 2 326.444 3.263 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272560934 455994433 /nfs/dbraw/zinc/99/44/33/455994433.db2.gz UHWKQMSDNDBIHO-WBVHZDCISA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272560934 455994434 /nfs/dbraw/zinc/99/44/34/455994434.db2.gz UHWKQMSDNDBIHO-WBVHZDCISA-N 2 2 342.439 3.066 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000262112527 455999168 /nfs/dbraw/zinc/99/91/68/455999168.db2.gz BDODHWGKHWTXJP-PXNSSMCTSA-N 2 2 339.483 3.355 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000262112527 455999174 /nfs/dbraw/zinc/99/91/74/455999174.db2.gz BDODHWGKHWTXJP-PXNSSMCTSA-N 2 2 339.483 3.355 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc3ccccc32)CC1 ZINC000216050313 456027694 /nfs/dbraw/zinc/02/76/94/456027694.db2.gz IOUMFBAUVDTVFH-IRXDYDNUSA-N 2 2 339.483 3.043 20 0 EGADLP Clc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752205 456045591 /nfs/dbraw/zinc/04/55/91/456045591.db2.gz BRLDLVXBUBBARE-ZWKOTPCHSA-N 2 2 349.906 3.211 20 0 EGADLP Clc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752205 456045596 /nfs/dbraw/zinc/04/55/96/456045596.db2.gz BRLDLVXBUBBARE-ZWKOTPCHSA-N 2 2 349.906 3.211 20 0 EGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1Cl ZINC000272721501 456051997 /nfs/dbraw/zinc/05/19/97/456051997.db2.gz ZNXZTQGMYYVTNH-UHFFFAOYSA-N 2 2 330.303 3.063 20 0 EGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1Cl ZINC000272721501 456052005 /nfs/dbraw/zinc/05/20/05/456052005.db2.gz ZNXZTQGMYYVTNH-UHFFFAOYSA-N 2 2 330.303 3.063 20 0 EGADLP C[C@H](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000188451596 456065862 /nfs/dbraw/zinc/06/58/62/456065862.db2.gz MJICLTSRWWNHCZ-QAPCUYQASA-N 2 2 330.451 3.492 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[NH+](C(C)C)CC1 ZINC000301330318 456091237 /nfs/dbraw/zinc/09/12/37/456091237.db2.gz DIUZHXLARHHYES-UHFFFAOYSA-N 2 2 341.455 3.250 20 0 EGADLP c1cc2[nH+]ccc(N3CC[NH+](Cc4cn5ccccc5n4)CC3)c2s1 ZINC000301339526 456094019 /nfs/dbraw/zinc/09/40/19/456094019.db2.gz FIMMHZKFQWJNET-UHFFFAOYSA-N 2 2 349.463 3.266 20 0 EGADLP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968221 456095610 /nfs/dbraw/zinc/09/56/10/456095610.db2.gz KGUAJHIPGUSKQK-IPMKNSEASA-N 2 2 340.471 3.173 20 0 EGADLP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968221 456095614 /nfs/dbraw/zinc/09/56/14/456095614.db2.gz KGUAJHIPGUSKQK-IPMKNSEASA-N 2 2 340.471 3.173 20 0 EGADLP C[C@]1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCCC[NH2+]1 ZINC000272906626 456108209 /nfs/dbraw/zinc/10/82/09/456108209.db2.gz CZLDEMPSWUNPQW-HXUWFJFHSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000297150227 456132307 /nfs/dbraw/zinc/13/23/07/456132307.db2.gz ZXLRUIMQSYEUBZ-NVXWUHKLSA-N 2 2 333.476 3.310 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846520 456192206 /nfs/dbraw/zinc/19/22/06/456192206.db2.gz JUZWBAFVNODTKD-IBGZPJMESA-N 2 2 325.456 3.109 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846520 456192212 /nfs/dbraw/zinc/19/22/12/456192212.db2.gz JUZWBAFVNODTKD-IBGZPJMESA-N 2 2 325.456 3.109 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(C[NH3+])o1)c1ccccc1Cl ZINC000236887576 456198100 /nfs/dbraw/zinc/19/81/00/456198100.db2.gz RFWPWPCMMMIIKX-MRXNPFEDSA-N 2 2 349.862 3.205 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000297369357 456202429 /nfs/dbraw/zinc/20/24/29/456202429.db2.gz GJGXDSMDPLWLNP-LAUBAEHRSA-N 3 2 338.499 3.331 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000281342114 456206995 /nfs/dbraw/zinc/20/69/95/456206995.db2.gz MAEVUGXXEGUVFK-KRWDZBQOSA-N 2 2 341.503 3.483 20 0 EGADLP Cc1cn2ccc(NC(=O)C3CCN(c4ccc(C)c[nH+]4)CC3)cc2[nH+]1 ZINC000620649205 460719336 /nfs/dbraw/zinc/71/93/36/460719336.db2.gz XLTFUFGLNMKHAN-UHFFFAOYSA-N 2 2 349.438 3.201 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297468148 456227521 /nfs/dbraw/zinc/22/75/21/456227521.db2.gz QWUQFVQZVGLXOP-IBGZPJMESA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297468148 456227523 /nfs/dbraw/zinc/22/75/23/456227523.db2.gz QWUQFVQZVGLXOP-IBGZPJMESA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000297468148 456227527 /nfs/dbraw/zinc/22/75/27/456227527.db2.gz QWUQFVQZVGLXOP-IBGZPJMESA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000297468148 456227535 /nfs/dbraw/zinc/22/75/35/456227535.db2.gz QWUQFVQZVGLXOP-IBGZPJMESA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297468150 456227954 /nfs/dbraw/zinc/22/79/54/456227954.db2.gz QWUQFVQZVGLXOP-LJQANCHMSA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297468150 456227957 /nfs/dbraw/zinc/22/79/57/456227957.db2.gz QWUQFVQZVGLXOP-LJQANCHMSA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000297468150 456227961 /nfs/dbraw/zinc/22/79/61/456227961.db2.gz QWUQFVQZVGLXOP-LJQANCHMSA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000297468150 456227962 /nfs/dbraw/zinc/22/79/62/456227962.db2.gz QWUQFVQZVGLXOP-LJQANCHMSA-N 2 2 344.528 3.499 20 0 EGADLP CC(C)C[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301838457 456228902 /nfs/dbraw/zinc/22/89/02/456228902.db2.gz NJNBKVMFOSRULV-UHFFFAOYSA-N 2 2 330.480 3.114 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000237167382 456242216 /nfs/dbraw/zinc/24/22/16/456242216.db2.gz DSTYLQLGVRAHLN-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[C@@H]1C[NH+](CCC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C[C@@H](C)O1 ZINC000301894751 456244146 /nfs/dbraw/zinc/24/41/46/456244146.db2.gz SZNMJZLWOWYEPW-HZPDHXFCSA-N 2 2 342.487 3.279 20 0 EGADLP Cn1cc([C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccc(F)cc2)cn1 ZINC000189239330 456262580 /nfs/dbraw/zinc/26/25/80/456262580.db2.gz SKWZERAJVKGGAY-LJQANCHMSA-N 2 2 330.451 3.114 20 0 EGADLP Cc1cc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c2cccc(F)c2[nH+]1 ZINC000333864461 456269813 /nfs/dbraw/zinc/26/98/13/456269813.db2.gz QQTMJJZGWZGBBY-APWZRJJASA-N 2 2 329.419 3.015 20 0 EGADLP CC(C)c1nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc[nH+]1 ZINC000302053303 456276616 /nfs/dbraw/zinc/27/66/16/456276616.db2.gz PGFNILFSQNLKHI-SFHVURJKSA-N 2 2 340.471 3.169 20 0 EGADLP CC(C)c1nc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc[nH+]1 ZINC000302053303 456276619 /nfs/dbraw/zinc/27/66/19/456276619.db2.gz PGFNILFSQNLKHI-SFHVURJKSA-N 2 2 340.471 3.169 20 0 EGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352761363 456282999 /nfs/dbraw/zinc/28/29/99/456282999.db2.gz WQRUKXLEIKBBBX-UHFFFAOYSA-N 3 2 346.544 3.335 20 0 EGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352761363 456283005 /nfs/dbraw/zinc/28/30/05/456283005.db2.gz WQRUKXLEIKBBBX-UHFFFAOYSA-N 3 2 346.544 3.335 20 0 EGADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C(=O)OC)cc1 ZINC000340174755 456290650 /nfs/dbraw/zinc/29/06/50/456290650.db2.gz FGNCSJLVAYNRFG-SFHVURJKSA-N 2 2 341.455 3.289 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2csc(Br)c2)s1 ZINC000352781223 456299422 /nfs/dbraw/zinc/29/94/22/456299422.db2.gz SILNVRHWNDFAQS-UHFFFAOYSA-N 2 2 346.319 3.319 20 0 EGADLP COc1c(O)cccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290359654 456306049 /nfs/dbraw/zinc/30/60/49/456306049.db2.gz GSFODSCEGZQYDU-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COc1c(O)cccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000290359654 456306051 /nfs/dbraw/zinc/30/60/51/456306051.db2.gz GSFODSCEGZQYDU-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000290370137 456307519 /nfs/dbraw/zinc/30/75/19/456307519.db2.gz KHACELIGPNSBIH-OAHLLOKOSA-N 2 2 343.475 3.329 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000290370137 456307520 /nfs/dbraw/zinc/30/75/20/456307520.db2.gz KHACELIGPNSBIH-OAHLLOKOSA-N 2 2 343.475 3.329 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790027 456308456 /nfs/dbraw/zinc/30/84/56/456308456.db2.gz VMYQZSIMYLJVCD-LPHOPBHVSA-N 2 2 338.451 3.210 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790027 456308462 /nfs/dbraw/zinc/30/84/62/456308462.db2.gz VMYQZSIMYLJVCD-LPHOPBHVSA-N 2 2 338.451 3.210 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000352804450 456323481 /nfs/dbraw/zinc/32/34/81/456323481.db2.gz QECYRUZVWKCMIO-KRWDZBQOSA-N 2 2 348.487 3.400 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000352804450 456323486 /nfs/dbraw/zinc/32/34/86/456323486.db2.gz QECYRUZVWKCMIO-KRWDZBQOSA-N 2 2 348.487 3.400 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000297928618 456326990 /nfs/dbraw/zinc/32/69/90/456326990.db2.gz UGOSZPFLADYHRA-UHFFFAOYSA-N 2 2 334.261 3.390 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000297928618 456326999 /nfs/dbraw/zinc/32/69/99/456326999.db2.gz UGOSZPFLADYHRA-UHFFFAOYSA-N 2 2 334.261 3.390 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000275874998 456337849 /nfs/dbraw/zinc/33/78/49/456337849.db2.gz OKYFKZIIDAXYOI-HXUWFJFHSA-N 2 2 335.455 3.254 20 0 EGADLP CCCOc1cccc2c(NC[C@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000352824642 456339687 /nfs/dbraw/zinc/33/96/87/456339687.db2.gz AGKAUZJJVFCPHI-INIZCTEOSA-N 2 2 341.455 3.299 20 0 EGADLP CCCOc1cccc2c(NC[C@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000352824642 456339692 /nfs/dbraw/zinc/33/96/92/456339692.db2.gz AGKAUZJJVFCPHI-INIZCTEOSA-N 2 2 341.455 3.299 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000290501536 456347154 /nfs/dbraw/zinc/34/71/54/456347154.db2.gz WPETYZUOFGVYHD-RVKKMQEKSA-N 2 2 345.512 3.197 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000290501536 456347157 /nfs/dbraw/zinc/34/71/57/456347157.db2.gz WPETYZUOFGVYHD-RVKKMQEKSA-N 2 2 345.512 3.197 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000340275562 456356281 /nfs/dbraw/zinc/35/62/81/456356281.db2.gz FBSRTMFFSSULFI-AZUAARDMSA-N 2 2 330.520 3.023 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000340275562 456356286 /nfs/dbraw/zinc/35/62/86/456356286.db2.gz FBSRTMFFSSULFI-AZUAARDMSA-N 2 2 330.520 3.023 20 0 EGADLP C[N@H+](Cc1cc[nH+]c(N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000298075393 456359921 /nfs/dbraw/zinc/35/99/21/456359921.db2.gz JRRNYHUSLBIRAN-ZBFHGGJFSA-N 2 2 338.238 3.061 20 0 EGADLP C[N@@H+](Cc1cc[nH+]c(N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000298075393 456359930 /nfs/dbraw/zinc/35/99/30/456359930.db2.gz JRRNYHUSLBIRAN-ZBFHGGJFSA-N 2 2 338.238 3.061 20 0 EGADLP CCC(CC)[N@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000343050681 456372213 /nfs/dbraw/zinc/37/22/13/456372213.db2.gz YMHVQVPOLUEDDP-GOSISDBHSA-N 2 2 347.503 3.151 20 0 EGADLP CCC(CC)[N@@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000343050681 456372222 /nfs/dbraw/zinc/37/22/22/456372222.db2.gz YMHVQVPOLUEDDP-GOSISDBHSA-N 2 2 347.503 3.151 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000290592542 456377369 /nfs/dbraw/zinc/37/73/69/456377369.db2.gz VKGSCALVTZRBQT-UHFFFAOYSA-N 2 2 329.835 3.449 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000290592542 456377373 /nfs/dbraw/zinc/37/73/73/456377373.db2.gz VKGSCALVTZRBQT-UHFFFAOYSA-N 2 2 329.835 3.449 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302830349 456412772 /nfs/dbraw/zinc/41/27/72/456412772.db2.gz KJHXKOUEBDEBAH-INIZCTEOSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302830349 456412777 /nfs/dbraw/zinc/41/27/77/456412777.db2.gz KJHXKOUEBDEBAH-INIZCTEOSA-N 2 2 325.460 3.009 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340371202 456419147 /nfs/dbraw/zinc/41/91/47/456419147.db2.gz QQLMUHGHDOYMSS-HKUYNNGSSA-N 2 2 327.428 3.084 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375980 456423317 /nfs/dbraw/zinc/42/33/17/456423317.db2.gz VCDCETLULIVDLA-HAMDTZRPSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375980 456423324 /nfs/dbraw/zinc/42/33/24/456423324.db2.gz VCDCETLULIVDLA-HAMDTZRPSA-N 3 2 327.516 3.428 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000352978623 456425478 /nfs/dbraw/zinc/42/54/78/456425478.db2.gz XNHGVKNJEBKMRI-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000352978623 456425486 /nfs/dbraw/zinc/42/54/86/456425486.db2.gz XNHGVKNJEBKMRI-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP C[C@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000302915323 456435627 /nfs/dbraw/zinc/43/56/27/456435627.db2.gz VOLUOEWDWVROJS-WMZOPIPTSA-N 2 2 337.471 3.152 20 0 EGADLP C[C@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000302915323 456435632 /nfs/dbraw/zinc/43/56/32/456435632.db2.gz VOLUOEWDWVROJS-WMZOPIPTSA-N 2 2 337.471 3.152 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1C ZINC000282223619 456447761 /nfs/dbraw/zinc/44/77/61/456447761.db2.gz PACLTUZXWRFXQC-ZIFCJYIRSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1C ZINC000282223619 456447764 /nfs/dbraw/zinc/44/77/64/456447764.db2.gz PACLTUZXWRFXQC-ZIFCJYIRSA-N 2 2 326.488 3.432 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256733 456487294 /nfs/dbraw/zinc/48/72/94/456487294.db2.gz PXAYVWRVNNNWGM-NQIIRXRSSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256733 456487301 /nfs/dbraw/zinc/48/73/01/456487301.db2.gz PXAYVWRVNNNWGM-NQIIRXRSSA-N 3 2 329.532 3.348 20 0 EGADLP Cn1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(C(F)F)n1 ZINC000291020822 456499545 /nfs/dbraw/zinc/49/95/45/456499545.db2.gz GTTFSVFNOVPCHP-UHFFFAOYSA-N 2 2 348.441 3.454 20 0 EGADLP Cn1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(C(F)F)n1 ZINC000291020822 456499552 /nfs/dbraw/zinc/49/95/52/456499552.db2.gz GTTFSVFNOVPCHP-UHFFFAOYSA-N 2 2 348.441 3.454 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC4(CCC4)C3)c2cc1C ZINC000348193098 456527977 /nfs/dbraw/zinc/52/79/77/456527977.db2.gz KLPHELUEHDKPDF-KRWDZBQOSA-N 2 2 327.472 3.280 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC4(CCC4)C3)c2cc1C ZINC000348193098 456527982 /nfs/dbraw/zinc/52/79/82/456527982.db2.gz KLPHELUEHDKPDF-KRWDZBQOSA-N 2 2 327.472 3.280 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000282481512 456528848 /nfs/dbraw/zinc/52/88/48/456528848.db2.gz MHWJKUXMUOOFKT-FQEVSTJZSA-N 2 2 339.483 3.052 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651668787 462295931 /nfs/dbraw/zinc/29/59/31/462295931.db2.gz ZLCWSJCZHYYNOT-UHFFFAOYSA-N 2 2 346.438 3.105 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000305163440 456532332 /nfs/dbraw/zinc/53/23/32/456532332.db2.gz XQXGOOPFGOCNLY-OFQRWUPVSA-N 2 2 340.558 3.356 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)cc2)c1C ZINC000291123167 456537126 /nfs/dbraw/zinc/53/71/26/456537126.db2.gz DDJJMLJYEFEALR-MRXNPFEDSA-N 2 2 349.438 3.195 20 0 EGADLP COC[C@H](CC(C)(C)C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000651741740 462321781 /nfs/dbraw/zinc/32/17/81/462321781.db2.gz UTTYLQOKSRNGOX-DOTOQJQBSA-N 2 2 334.508 3.085 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298893839 456564112 /nfs/dbraw/zinc/56/41/12/456564112.db2.gz LOSSFEXXXVIREO-STQMWFEESA-N 2 2 346.500 3.140 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000298893839 456564117 /nfs/dbraw/zinc/56/41/17/456564117.db2.gz LOSSFEXXXVIREO-STQMWFEESA-N 2 2 346.500 3.140 20 0 EGADLP C[C@@H]([NH2+]C[C@](C)(CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348253370 456572619 /nfs/dbraw/zinc/57/26/19/456572619.db2.gz DXYSJHYPWDUZAG-DYESRHJHSA-N 2 2 335.451 3.473 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000353240464 456580965 /nfs/dbraw/zinc/58/09/65/456580965.db2.gz ZFKYPYWRKJFLIH-HNAYVOBHSA-N 2 2 332.488 3.118 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282753136 456614783 /nfs/dbraw/zinc/61/47/83/456614783.db2.gz NVDJTINZOHOTEC-WMZOPIPTSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282753136 456614788 /nfs/dbraw/zinc/61/47/88/456614788.db2.gz NVDJTINZOHOTEC-WMZOPIPTSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000348315088 456617520 /nfs/dbraw/zinc/61/75/20/456617520.db2.gz CCCUJMBULCLEFW-VBKZILBWSA-N 2 2 341.430 3.297 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000353364939 456648422 /nfs/dbraw/zinc/64/84/22/456648422.db2.gz TVGUVSSZZDWCID-UHFFFAOYSA-N 2 2 336.439 3.494 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000353364939 456648427 /nfs/dbraw/zinc/64/84/27/456648427.db2.gz TVGUVSSZZDWCID-UHFFFAOYSA-N 2 2 336.439 3.494 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCN(C(=O)Nc4ccccc4)C3)n2c1 ZINC000282923559 456665472 /nfs/dbraw/zinc/66/54/72/456665472.db2.gz HMEKRBLTCVHXIL-KRWDZBQOSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cc(NCc2ccc(OCCC[NH+](C)C)cc2)nc(C(C)C)[nH+]1 ZINC000343515903 456674545 /nfs/dbraw/zinc/67/45/45/456674545.db2.gz KRSJQQGJXZFRNN-UHFFFAOYSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)[NH+]1CCC(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000277091259 456677570 /nfs/dbraw/zinc/67/75/70/456677570.db2.gz KMZYRXKYTYGINQ-FQEVSTJZSA-N 2 2 347.572 3.066 20 0 EGADLP CC(C)[NH+]1CCC(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277091259 456677573 /nfs/dbraw/zinc/67/75/73/456677573.db2.gz KMZYRXKYTYGINQ-FQEVSTJZSA-N 2 2 347.572 3.066 20 0 EGADLP C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338174707 456684997 /nfs/dbraw/zinc/68/49/97/456684997.db2.gz ISNXISJKIBHJFI-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338174707 456684999 /nfs/dbraw/zinc/68/49/99/456684999.db2.gz ISNXISJKIBHJFI-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338204193 456703462 /nfs/dbraw/zinc/70/34/62/456703462.db2.gz IJUPTSCFJXXXGP-INIZCTEOSA-N 2 2 339.439 3.430 20 0 EGADLP CC(C)[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1[nH]cc[nH+]1 ZINC000283070402 456704033 /nfs/dbraw/zinc/70/40/33/456704033.db2.gz RPRIKPVYKKNWOS-QGZVFWFLSA-N 2 2 326.444 3.133 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000277210158 456724577 /nfs/dbraw/zinc/72/45/77/456724577.db2.gz NDYLLOJFVCFFGD-IBGZPJMESA-N 2 2 325.456 3.194 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000277210158 456724580 /nfs/dbraw/zinc/72/45/80/456724580.db2.gz NDYLLOJFVCFFGD-IBGZPJMESA-N 2 2 325.456 3.194 20 0 EGADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000283178232 456729786 /nfs/dbraw/zinc/72/97/86/456729786.db2.gz JQZKTWQDVHHVAZ-ZWKOTPCHSA-N 2 2 327.428 3.045 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000353535735 456740199 /nfs/dbraw/zinc/74/01/99/456740199.db2.gz LEEBFEWLMSDNNG-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000353535735 456740206 /nfs/dbraw/zinc/74/02/06/456740206.db2.gz LEEBFEWLMSDNNG-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543244 456746110 /nfs/dbraw/zinc/74/61/10/456746110.db2.gz AZVLUJYRLNUFNF-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543244 456746116 /nfs/dbraw/zinc/74/61/16/456746116.db2.gz AZVLUJYRLNUFNF-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)c1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353549623 456750974 /nfs/dbraw/zinc/75/09/74/456750974.db2.gz KVZQBLIYCLEDCO-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000353549623 456750980 /nfs/dbraw/zinc/75/09/80/456750980.db2.gz KVZQBLIYCLEDCO-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000353549623 456750982 /nfs/dbraw/zinc/75/09/82/456750982.db2.gz KVZQBLIYCLEDCO-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000353549623 456750984 /nfs/dbraw/zinc/75/09/84/456750984.db2.gz KVZQBLIYCLEDCO-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP Nc1[nH+]cnc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1Cl ZINC000277281176 456757844 /nfs/dbraw/zinc/75/78/44/456757844.db2.gz AXSOTUPNZNXBQC-LLVKDONJSA-N 2 2 337.880 3.098 20 0 EGADLP CCc1nocc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000353557878 456760446 /nfs/dbraw/zinc/76/04/46/456760446.db2.gz CDFHGKZUQINTII-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000353557878 456760453 /nfs/dbraw/zinc/76/04/53/456760453.db2.gz CDFHGKZUQINTII-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000353557878 456760461 /nfs/dbraw/zinc/76/04/61/456760461.db2.gz CDFHGKZUQINTII-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000353557878 456760468 /nfs/dbraw/zinc/76/04/68/456760468.db2.gz CDFHGKZUQINTII-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1OCCc2sccc21 ZINC000291807929 456763875 /nfs/dbraw/zinc/76/38/75/456763875.db2.gz XXNWPUJVQNMTEL-SCLBCKFNSA-N 2 2 340.452 3.121 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771662 456772799 /nfs/dbraw/zinc/77/27/99/456772799.db2.gz RGGBMGAIEPYELD-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771662 456772807 /nfs/dbraw/zinc/77/28/07/456772807.db2.gz RGGBMGAIEPYELD-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771662 456772812 /nfs/dbraw/zinc/77/28/12/456772812.db2.gz RGGBMGAIEPYELD-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000344300442 456813607 /nfs/dbraw/zinc/81/36/07/456813607.db2.gz VBSMDHZVAZUIFB-XWPNQZOQSA-N 2 2 341.499 3.154 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cn2c1 ZINC000283796069 456839923 /nfs/dbraw/zinc/83/99/23/456839923.db2.gz AULSNNIPMGPLKB-HXUWFJFHSA-N 2 2 348.494 3.297 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cn2c1 ZINC000283796069 456839930 /nfs/dbraw/zinc/83/99/30/456839930.db2.gz AULSNNIPMGPLKB-HXUWFJFHSA-N 2 2 348.494 3.297 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344739464 456853484 /nfs/dbraw/zinc/85/34/84/456853484.db2.gz ULJKXAHGOIFNEL-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739464 456853491 /nfs/dbraw/zinc/85/34/91/456853491.db2.gz ULJKXAHGOIFNEL-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H]1CCC[C@](C[NH2+]C2CCN(Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512398 456872207 /nfs/dbraw/zinc/87/22/07/456872207.db2.gz SHXHJQJMYZDLKO-RXVVDRJESA-N 2 2 344.547 3.146 20 0 EGADLP CCOC(=O)C1(C)CCC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000348836895 456878481 /nfs/dbraw/zinc/87/84/81/456878481.db2.gz FHVDMOJDFXDVFV-UHFFFAOYSA-N 2 2 342.443 3.250 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@@H+]1C1CC1 ZINC000344975261 456884174 /nfs/dbraw/zinc/88/41/74/456884174.db2.gz QEUHAGLEFKBMAZ-VQIMIIECSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@H+]1C1CC1 ZINC000344975261 456884177 /nfs/dbraw/zinc/88/41/77/456884177.db2.gz QEUHAGLEFKBMAZ-VQIMIIECSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574089 456910327 /nfs/dbraw/zinc/91/03/27/456910327.db2.gz JOWMFONNRSMGAT-TXPKVOOTSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574089 456910333 /nfs/dbraw/zinc/91/03/33/456910333.db2.gz JOWMFONNRSMGAT-TXPKVOOTSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[NH+]1C[C@@H](c1noc([C@@H]3CCC[N@@H+]3C3CCCC3)n1)OC2 ZINC000329574089 456910337 /nfs/dbraw/zinc/91/03/37/456910337.db2.gz JOWMFONNRSMGAT-TXPKVOOTSA-N 2 2 346.475 3.075 20 0 EGADLP CCSc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000349296820 456935288 /nfs/dbraw/zinc/93/52/88/456935288.db2.gz MULSRUWWHGYEHU-QGZVFWFLSA-N 2 2 347.572 3.399 20 0 EGADLP CCSc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000349296820 456935294 /nfs/dbraw/zinc/93/52/94/456935294.db2.gz MULSRUWWHGYEHU-QGZVFWFLSA-N 2 2 347.572 3.399 20 0 EGADLP COCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101994 456941595 /nfs/dbraw/zinc/94/15/95/456941595.db2.gz IILHIFYOXLLSHG-NHCUHLMSSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101994 456941599 /nfs/dbraw/zinc/94/15/99/456941599.db2.gz IILHIFYOXLLSHG-NHCUHLMSSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101994 456941604 /nfs/dbraw/zinc/94/16/04/456941604.db2.gz IILHIFYOXLLSHG-NHCUHLMSSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101994 456941609 /nfs/dbraw/zinc/94/16/09/456941609.db2.gz IILHIFYOXLLSHG-NHCUHLMSSA-N 2 2 339.483 3.353 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+]3CC[NH+]4CCC3CC4)cc2)cs1 ZINC000349323081 456942674 /nfs/dbraw/zinc/94/26/74/456942674.db2.gz ZTOGXBKCSHGRLL-UHFFFAOYSA-N 2 2 343.496 3.311 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+]3CC[NH+]4CCC3CC4)cc2)cs1 ZINC000349323081 456942679 /nfs/dbraw/zinc/94/26/79/456942679.db2.gz ZTOGXBKCSHGRLL-UHFFFAOYSA-N 2 2 343.496 3.311 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000341788539 456945088 /nfs/dbraw/zinc/94/50/88/456945088.db2.gz BRMCJJVGAKBAKZ-UXHICEINSA-N 2 2 343.515 3.117 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)CCC2 ZINC000341788539 456945093 /nfs/dbraw/zinc/94/50/93/456945093.db2.gz BRMCJJVGAKBAKZ-UXHICEINSA-N 2 2 343.515 3.117 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349345878 456948565 /nfs/dbraw/zinc/94/85/65/456948565.db2.gz JMMSWNLOWCAWBS-UHFFFAOYSA-N 2 2 337.471 3.267 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349345878 456948570 /nfs/dbraw/zinc/94/85/70/456948570.db2.gz JMMSWNLOWCAWBS-UHFFFAOYSA-N 2 2 337.471 3.267 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c[nH+]1 ZINC000353945847 456975255 /nfs/dbraw/zinc/97/52/55/456975255.db2.gz SOKLWHKSZHKXGJ-UHFFFAOYSA-N 3 2 327.472 3.053 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000345607024 456985090 /nfs/dbraw/zinc/98/50/90/456985090.db2.gz UHVFDUKEPRETRO-MAODMQOUSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000345607024 456985093 /nfs/dbraw/zinc/98/50/93/456985093.db2.gz UHVFDUKEPRETRO-MAODMQOUSA-N 2 2 342.458 3.154 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354026390 457018379 /nfs/dbraw/zinc/01/83/79/457018379.db2.gz SIMCATVRSKEXAQ-ZBFHGGJFSA-N 2 2 331.441 3.043 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354026390 457018386 /nfs/dbraw/zinc/01/83/86/457018386.db2.gz SIMCATVRSKEXAQ-ZBFHGGJFSA-N 2 2 331.441 3.043 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354035358 457023372 /nfs/dbraw/zinc/02/33/72/457023372.db2.gz YAGSFDAFNJKTFL-KRWDZBQOSA-N 2 2 328.460 3.303 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354035358 457023379 /nfs/dbraw/zinc/02/33/79/457023379.db2.gz YAGSFDAFNJKTFL-KRWDZBQOSA-N 2 2 328.460 3.303 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000354035078 457024132 /nfs/dbraw/zinc/02/41/32/457024132.db2.gz VPWITAHMPVWPHB-PXNSSMCTSA-N 2 2 345.531 3.393 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036545 457025264 /nfs/dbraw/zinc/02/52/64/457025264.db2.gz ABRFFETXQREGSG-RBUKOAKNSA-N 2 2 343.515 3.458 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036545 457025270 /nfs/dbraw/zinc/02/52/70/457025270.db2.gz ABRFFETXQREGSG-RBUKOAKNSA-N 2 2 343.515 3.458 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038909 457025565 /nfs/dbraw/zinc/02/55/65/457025565.db2.gz OILYJRLOABHVJT-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038909 457025573 /nfs/dbraw/zinc/02/55/73/457025573.db2.gz OILYJRLOABHVJT-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000354045574 457031783 /nfs/dbraw/zinc/03/17/83/457031783.db2.gz WHKJTWUIPAFTNG-UHFFFAOYSA-N 2 2 335.923 3.330 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000354109249 457068410 /nfs/dbraw/zinc/06/84/10/457068410.db2.gz JOCVTSIKYVIABQ-CTNGQTDRSA-N 2 2 344.499 3.187 20 0 EGADLP CC[NH+](CC)CCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354142098 457092225 /nfs/dbraw/zinc/09/22/25/457092225.db2.gz OWVVEAFWDPDNIW-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000362828329 457111653 /nfs/dbraw/zinc/11/16/53/457111653.db2.gz DVWISNHYFWYRKM-INIZCTEOSA-N 2 2 337.427 3.072 20 0 EGADLP Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000362828329 457111660 /nfs/dbraw/zinc/11/16/60/457111660.db2.gz DVWISNHYFWYRKM-INIZCTEOSA-N 2 2 337.427 3.072 20 0 EGADLP COc1ccccc1N1CC[C@@H](C[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000354177075 457112251 /nfs/dbraw/zinc/11/22/51/457112251.db2.gz YPFDKUMNBJYCHX-IBGZPJMESA-N 2 2 339.483 3.447 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000346692513 457114733 /nfs/dbraw/zinc/11/47/33/457114733.db2.gz ZPEHCULCINRFSW-CYBMUJFWSA-N 2 2 342.409 3.397 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000346692513 457114740 /nfs/dbraw/zinc/11/47/40/457114740.db2.gz ZPEHCULCINRFSW-CYBMUJFWSA-N 2 2 342.409 3.397 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346698065 457117081 /nfs/dbraw/zinc/11/70/81/457117081.db2.gz JAUBFRAKWPZRHF-RYRKJORJSA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346698065 457117083 /nfs/dbraw/zinc/11/70/83/457117083.db2.gz JAUBFRAKWPZRHF-RYRKJORJSA-N 2 2 332.488 3.359 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339440186 457120037 /nfs/dbraw/zinc/12/00/37/457120037.db2.gz NFNGYYDIPQCGGZ-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339440186 457120044 /nfs/dbraw/zinc/12/00/44/457120044.db2.gz NFNGYYDIPQCGGZ-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339440186 457120050 /nfs/dbraw/zinc/12/00/50/457120050.db2.gz NFNGYYDIPQCGGZ-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339440186 457120054 /nfs/dbraw/zinc/12/00/54/457120054.db2.gz NFNGYYDIPQCGGZ-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000349967075 457125787 /nfs/dbraw/zinc/12/57/87/457125787.db2.gz RRQLQESPAAMXDY-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000349967075 457125792 /nfs/dbraw/zinc/12/57/92/457125792.db2.gz RRQLQESPAAMXDY-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152045 457137502 /nfs/dbraw/zinc/13/75/02/457137502.db2.gz BLKAVXFRGHMSFG-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152045 457137507 /nfs/dbraw/zinc/13/75/07/457137507.db2.gz BLKAVXFRGHMSFG-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152045 457137512 /nfs/dbraw/zinc/13/75/12/457137512.db2.gz BLKAVXFRGHMSFG-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152045 457137519 /nfs/dbraw/zinc/13/75/19/457137519.db2.gz BLKAVXFRGHMSFG-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000339658707 457196180 /nfs/dbraw/zinc/19/61/80/457196180.db2.gz CKHUGESMKBDBGG-CQSZACIVSA-N 2 2 341.377 3.388 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000339658707 457196186 /nfs/dbraw/zinc/19/61/86/457196186.db2.gz CKHUGESMKBDBGG-CQSZACIVSA-N 2 2 341.377 3.388 20 0 EGADLP Cc1c[nH+]c(CNC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)n1C ZINC000342289286 457215044 /nfs/dbraw/zinc/21/50/44/457215044.db2.gz MEYDAFPYKWMYHN-LJQANCHMSA-N 2 2 328.504 3.320 20 0 EGADLP Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CC[N@@H+](C3CC3)C1)CO2 ZINC000356912503 457216005 /nfs/dbraw/zinc/21/60/05/457216005.db2.gz GDYNMFRJGXKKJP-HNNXBMFYSA-N 2 2 349.272 3.051 20 0 EGADLP Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000356912503 457216008 /nfs/dbraw/zinc/21/60/08/457216008.db2.gz GDYNMFRJGXKKJP-HNNXBMFYSA-N 2 2 349.272 3.051 20 0 EGADLP CCC[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000347139979 457252707 /nfs/dbraw/zinc/25/27/07/457252707.db2.gz VRLPDDFDNBBQQU-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000347139979 457252713 /nfs/dbraw/zinc/25/27/13/457252713.db2.gz VRLPDDFDNBBQQU-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCCCCC[C@H](CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363226054 457264431 /nfs/dbraw/zinc/26/44/31/457264431.db2.gz QTPWBSNJFJARNR-ZWKOTPCHSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@H](CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363226054 457264436 /nfs/dbraw/zinc/26/44/36/457264436.db2.gz QTPWBSNJFJARNR-ZWKOTPCHSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1[nH+]ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1Cl ZINC000357011345 457274779 /nfs/dbraw/zinc/27/47/79/457274779.db2.gz NSJDAEXTKMGVIC-ZWKOTPCHSA-N 2 2 343.858 3.133 20 0 EGADLP Cc1[nH+]ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1Cl ZINC000357011345 457274786 /nfs/dbraw/zinc/27/47/86/457274786.db2.gz NSJDAEXTKMGVIC-ZWKOTPCHSA-N 2 2 343.858 3.133 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CCSCC1 ZINC000354547332 457281535 /nfs/dbraw/zinc/28/15/35/457281535.db2.gz KWDVRIFKTXBUHL-WMLDXEAASA-N 2 2 334.533 3.166 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331991713 457284481 /nfs/dbraw/zinc/28/44/81/457284481.db2.gz ZNXRBZCIZSITEH-UHFFFAOYSA-N 2 2 332.835 3.190 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000363341898 457299412 /nfs/dbraw/zinc/29/94/12/457299412.db2.gz SPYLHUCNDISYMH-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccsc1Cl ZINC000342447831 457308889 /nfs/dbraw/zinc/30/88/89/457308889.db2.gz NTUQSZNEQDIWHY-UHFFFAOYSA-N 2 2 339.892 3.417 20 0 EGADLP CC[NH+](CC)CC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000360764350 457342579 /nfs/dbraw/zinc/34/25/79/457342579.db2.gz NVFWSBLBRSHKRT-UHFFFAOYSA-N 2 2 334.489 3.352 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000360796418 457358196 /nfs/dbraw/zinc/35/81/96/457358196.db2.gz GJLAYGRSINZAFJ-DLBZAZTESA-N 2 2 349.523 3.260 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000360796418 457358198 /nfs/dbraw/zinc/35/81/98/457358198.db2.gz GJLAYGRSINZAFJ-DLBZAZTESA-N 2 2 349.523 3.260 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000378104369 457374876 /nfs/dbraw/zinc/37/48/76/457374876.db2.gz RLWKHDMKSLGUQM-GOSISDBHSA-N 2 2 326.488 3.015 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000378104369 457374877 /nfs/dbraw/zinc/37/48/77/457374877.db2.gz RLWKHDMKSLGUQM-GOSISDBHSA-N 2 2 326.488 3.015 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000363671321 457408679 /nfs/dbraw/zinc/40/86/79/457408679.db2.gz KZCVIGHMIHWOHY-MSOLQXFVSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000363671321 457408683 /nfs/dbraw/zinc/40/86/83/457408683.db2.gz KZCVIGHMIHWOHY-MSOLQXFVSA-N 2 2 343.515 3.121 20 0 EGADLP CCOC(=O)C1CCC([NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000378912746 457414353 /nfs/dbraw/zinc/41/43/53/457414353.db2.gz JYBFYTZARBYLMM-UHFFFAOYSA-N 2 2 341.455 3.392 20 0 EGADLP Cc1[nH+]ccn1CCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000342664215 457440317 /nfs/dbraw/zinc/44/03/17/457440317.db2.gz PXEXOUIJUDBHNB-UHFFFAOYSA-N 2 2 336.424 3.113 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000352535213 457446471 /nfs/dbraw/zinc/44/64/71/457446471.db2.gz NWUKIZMCMFUTFC-INIZCTEOSA-N 2 2 346.368 3.342 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000352535213 457446476 /nfs/dbraw/zinc/44/64/76/457446476.db2.gz NWUKIZMCMFUTFC-INIZCTEOSA-N 2 2 346.368 3.342 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000352551511 457461587 /nfs/dbraw/zinc/46/15/87/457461587.db2.gz YFKJUAGLTTUVDY-UHFFFAOYSA-N 2 2 346.906 3.361 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000397322164 457485579 /nfs/dbraw/zinc/48/55/79/457485579.db2.gz NJKDJDKCMBPJHO-YUELXQCFSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000397322164 457485585 /nfs/dbraw/zinc/48/55/85/457485585.db2.gz NJKDJDKCMBPJHO-YUELXQCFSA-N 2 2 337.895 3.201 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000397313211 457486396 /nfs/dbraw/zinc/48/63/96/457486396.db2.gz KAXFJJFGTDETGJ-YRGRVCCFSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000397313211 457486401 /nfs/dbraw/zinc/48/64/01/457486401.db2.gz KAXFJJFGTDETGJ-YRGRVCCFSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000397313205 457486963 /nfs/dbraw/zinc/48/69/63/457486963.db2.gz KAXFJJFGTDETGJ-DYEKYZERSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000397313205 457486971 /nfs/dbraw/zinc/48/69/71/457486971.db2.gz KAXFJJFGTDETGJ-DYEKYZERSA-N 2 2 334.851 3.195 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000356160666 457496006 /nfs/dbraw/zinc/49/60/06/457496006.db2.gz CKZUCUZBKIKWLT-UHFFFAOYSA-N 2 2 342.487 3.372 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1C ZINC000425340081 457507236 /nfs/dbraw/zinc/50/72/36/457507236.db2.gz UYBOSRWHQSTWBL-OAHLLOKOSA-N 2 2 330.501 3.100 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1C ZINC000425340081 457507239 /nfs/dbraw/zinc/50/72/39/457507239.db2.gz UYBOSRWHQSTWBL-OAHLLOKOSA-N 2 2 330.501 3.100 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)n1C ZINC000425375398 457526980 /nfs/dbraw/zinc/52/69/80/457526980.db2.gz ZLLXUOXRUUSYQV-UHFFFAOYSA-N 2 2 348.441 3.219 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC4(CCC4)[C@H]3C3CC3)c2cc1C ZINC000357450986 457536035 /nfs/dbraw/zinc/53/60/35/457536035.db2.gz IZNYAIOQZZQROS-YLJYHZDGSA-N 2 2 339.483 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC4(CCC4)[C@H]3C3CC3)c2cc1C ZINC000357450986 457536046 /nfs/dbraw/zinc/53/60/46/457536046.db2.gz IZNYAIOQZZQROS-YLJYHZDGSA-N 2 2 339.483 3.279 20 0 EGADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061378 457555397 /nfs/dbraw/zinc/55/53/97/457555397.db2.gz ZGWKMKPVBXSPJC-CQSZACIVSA-N 2 2 329.448 3.397 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)s1 ZINC000352743015 457574465 /nfs/dbraw/zinc/57/44/65/457574465.db2.gz SFQRQZFLZOLFCY-UHFFFAOYSA-N 2 2 334.489 3.067 20 0 EGADLP COc1ccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361088322 457576127 /nfs/dbraw/zinc/57/61/27/457576127.db2.gz QHYXHUSGWQGJFY-UHFFFAOYSA-N 2 2 343.471 3.463 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](C(C)(C)C)C3)c2cc1C ZINC000409467371 457600151 /nfs/dbraw/zinc/60/01/51/457600151.db2.gz NTIGQNWPTCYFIA-IRXDYDNUSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](C(C)(C)C)C3)c2cc1C ZINC000409467371 457600155 /nfs/dbraw/zinc/60/01/55/457600155.db2.gz NTIGQNWPTCYFIA-IRXDYDNUSA-N 2 2 329.488 3.382 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000361305670 457686990 /nfs/dbraw/zinc/68/69/90/457686990.db2.gz OANBHJSIUJTROW-XYJFISCASA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000361305670 457686995 /nfs/dbraw/zinc/68/69/95/457686995.db2.gz OANBHJSIUJTROW-XYJFISCASA-N 2 2 338.879 3.032 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000364765684 457689316 /nfs/dbraw/zinc/68/93/16/457689316.db2.gz ABWDMYMAMPIQKV-ZDUSSCGKSA-N 2 2 325.368 3.103 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358016995 457740562 /nfs/dbraw/zinc/74/05/62/457740562.db2.gz NMHJDUIEXLJQTM-KKSFZXQISA-N 2 2 338.499 3.186 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358016995 457740565 /nfs/dbraw/zinc/74/05/65/457740565.db2.gz NMHJDUIEXLJQTM-KKSFZXQISA-N 2 2 338.499 3.186 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000358154576 457820217 /nfs/dbraw/zinc/82/02/17/457820217.db2.gz KRTYFPUAZQQRQU-YOEHRIQHSA-N 2 2 338.879 3.254 20 0 EGADLP FC(F)(F)c1ncc(C[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000443970678 457831866 /nfs/dbraw/zinc/83/18/66/457831866.db2.gz RLQPXTYUKXRDTM-UHFFFAOYSA-N 2 2 326.347 3.142 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762052 457843297 /nfs/dbraw/zinc/84/32/97/457843297.db2.gz BNSVYGXRVISINW-HLLBOEOZSA-N 2 2 327.476 3.017 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000361762052 457843305 /nfs/dbraw/zinc/84/33/05/457843305.db2.gz BNSVYGXRVISINW-HLLBOEOZSA-N 2 2 327.476 3.017 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077881 457848347 /nfs/dbraw/zinc/84/83/47/457848347.db2.gz UNBLGHJSIWSSRY-APWZRJJASA-N 2 2 332.451 3.374 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077881 457848352 /nfs/dbraw/zinc/84/83/52/457848352.db2.gz UNBLGHJSIWSSRY-APWZRJJASA-N 2 2 332.451 3.374 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295648 457853185 /nfs/dbraw/zinc/85/31/85/457853185.db2.gz TXFBMQCTKBLRLW-QRVBRYPASA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295648 457853192 /nfs/dbraw/zinc/85/31/92/457853192.db2.gz TXFBMQCTKBLRLW-QRVBRYPASA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295649 457853439 /nfs/dbraw/zinc/85/34/39/457853439.db2.gz TXFBMQCTKBLRLW-QYZOEREBSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295649 457853444 /nfs/dbraw/zinc/85/34/44/457853444.db2.gz TXFBMQCTKBLRLW-QYZOEREBSA-N 2 2 341.455 3.025 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC000366608245 457868599 /nfs/dbraw/zinc/86/85/99/457868599.db2.gz MJCGSFHIWZOXGR-INIZCTEOSA-N 2 2 343.475 3.367 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375366842 457900227 /nfs/dbraw/zinc/90/02/27/457900227.db2.gz MCDRTUITBJNALF-NASSWSRMSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000375366842 457900231 /nfs/dbraw/zinc/90/02/31/457900231.db2.gz MCDRTUITBJNALF-NASSWSRMSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1nc2c(s1)CCCC2 ZINC000358305524 457922783 /nfs/dbraw/zinc/92/27/83/457922783.db2.gz VFIQJGIHDFGZBX-RRQGHBQHSA-N 2 2 349.544 3.050 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(F)c1 ZINC000358308747 457924253 /nfs/dbraw/zinc/92/42/53/457924253.db2.gz YXGHKSPZBSNCHY-QRWLVFNGSA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(F)c1 ZINC000358308747 457924263 /nfs/dbraw/zinc/92/42/63/457924263.db2.gz YXGHKSPZBSNCHY-QRWLVFNGSA-N 2 2 343.446 3.230 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)[nH]1 ZINC000444638135 457925455 /nfs/dbraw/zinc/92/54/55/457925455.db2.gz HTEYYKDQVMKRJD-UHFFFAOYSA-N 2 2 338.480 3.456 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885357 457929972 /nfs/dbraw/zinc/92/99/72/457929972.db2.gz HYVXOBYVIZVJJR-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1F ZINC000361885357 457929977 /nfs/dbraw/zinc/92/99/77/457929977.db2.gz HYVXOBYVIZVJJR-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)nc2)[C@@H]1c1cnn(C)c1 ZINC000434018896 457932791 /nfs/dbraw/zinc/93/27/91/457932791.db2.gz SZUSWMLYDSJTDZ-AZUAARDMSA-N 2 2 341.503 3.029 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)nc2)[C@@H]1c1cnn(C)c1 ZINC000434018896 457932797 /nfs/dbraw/zinc/93/27/97/457932797.db2.gz SZUSWMLYDSJTDZ-AZUAARDMSA-N 2 2 341.503 3.029 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C)nc2)[C@@H]1c1cnn(C)c1 ZINC000434018896 457932802 /nfs/dbraw/zinc/93/28/02/457932802.db2.gz SZUSWMLYDSJTDZ-AZUAARDMSA-N 2 2 341.503 3.029 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)nc2)[C@@H]1c1cnn(C)c1 ZINC000434018896 457932809 /nfs/dbraw/zinc/93/28/09/457932809.db2.gz SZUSWMLYDSJTDZ-AZUAARDMSA-N 2 2 341.503 3.029 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332370 457937544 /nfs/dbraw/zinc/93/75/44/457937544.db2.gz VZSTWZWPJGUYEG-CZUORRHYSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332370 457937547 /nfs/dbraw/zinc/93/75/47/457937547.db2.gz VZSTWZWPJGUYEG-CZUORRHYSA-N 2 2 330.394 3.195 20 0 EGADLP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1)OC ZINC000358349334 457951353 /nfs/dbraw/zinc/95/13/53/457951353.db2.gz XLXMHHDOJZGEFJ-HXUWFJFHSA-N 2 2 333.520 3.477 20 0 EGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc(OC(F)F)cc3)cs2)CC1 ZINC000434660371 458030972 /nfs/dbraw/zinc/03/09/72/458030972.db2.gz YWKXHNUIFLBFBQ-UHFFFAOYSA-N 2 2 339.411 3.335 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000375842163 458090568 /nfs/dbraw/zinc/09/05/68/458090568.db2.gz UWBUVGLXBBPBJS-LSDHHAIUSA-N 2 2 326.444 3.058 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376040 458127100 /nfs/dbraw/zinc/12/71/00/458127100.db2.gz YEYOMRJBHWBXCK-NWDGAFQWSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376040 458127101 /nfs/dbraw/zinc/12/71/01/458127101.db2.gz YEYOMRJBHWBXCK-NWDGAFQWSA-N 2 2 349.276 3.008 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435384971 458132372 /nfs/dbraw/zinc/13/23/72/458132372.db2.gz PGRCBAWALMABGW-LBPRGKRZSA-N 2 2 349.276 3.010 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435384971 458132374 /nfs/dbraw/zinc/13/23/74/458132374.db2.gz PGRCBAWALMABGW-LBPRGKRZSA-N 2 2 349.276 3.010 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243783 458141154 /nfs/dbraw/zinc/14/11/54/458141154.db2.gz ZJFLRIZUDYTJFR-IRXDYDNUSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243783 458141162 /nfs/dbraw/zinc/14/11/62/458141162.db2.gz ZJFLRIZUDYTJFR-IRXDYDNUSA-N 2 2 337.423 3.231 20 0 EGADLP CCc1ncc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435421692 458141405 /nfs/dbraw/zinc/14/14/05/458141405.db2.gz KJQIRBIIWWEFKR-AWEZNQCLSA-N 2 2 348.541 3.306 20 0 EGADLP CCc1ncc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435421692 458141410 /nfs/dbraw/zinc/14/14/10/458141410.db2.gz KJQIRBIIWWEFKR-AWEZNQCLSA-N 2 2 348.541 3.306 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000428468989 458152890 /nfs/dbraw/zinc/15/28/90/458152890.db2.gz QYJBSFBNDWBCCS-RXVVDRJESA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000428468989 458152895 /nfs/dbraw/zinc/15/28/95/458152895.db2.gz QYJBSFBNDWBCCS-RXVVDRJESA-N 2 2 346.515 3.338 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435612510 458172021 /nfs/dbraw/zinc/17/20/21/458172021.db2.gz GHKMIHDYKZMQPZ-GFCCVEGCSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435612510 458172028 /nfs/dbraw/zinc/17/20/28/458172028.db2.gz GHKMIHDYKZMQPZ-GFCCVEGCSA-N 2 2 344.286 3.396 20 0 EGADLP CN(C)c1ccccc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614121 458172057 /nfs/dbraw/zinc/17/20/57/458172057.db2.gz CWTHAFZMZFLNJD-FQEVSTJZSA-N 2 2 338.499 3.292 20 0 EGADLP CN(C)c1ccccc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614121 458172062 /nfs/dbraw/zinc/17/20/62/458172062.db2.gz CWTHAFZMZFLNJD-FQEVSTJZSA-N 2 2 338.499 3.292 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435615864 458174630 /nfs/dbraw/zinc/17/46/30/458174630.db2.gz QWDDZVIACCXLDN-CYBMUJFWSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435615864 458174636 /nfs/dbraw/zinc/17/46/36/458174636.db2.gz QWDDZVIACCXLDN-CYBMUJFWSA-N 2 2 343.393 3.108 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000369378189 458196131 /nfs/dbraw/zinc/19/61/31/458196131.db2.gz QSYZHEKFJKIOQG-HOTGVXAUSA-N 2 2 344.890 3.457 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000369378189 458196136 /nfs/dbraw/zinc/19/61/36/458196136.db2.gz QSYZHEKFJKIOQG-HOTGVXAUSA-N 2 2 344.890 3.457 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000369378191 458196913 /nfs/dbraw/zinc/19/69/13/458196913.db2.gz QSYZHEKFJKIOQG-JKSUJKDBSA-N 2 2 344.890 3.457 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000369378191 458196914 /nfs/dbraw/zinc/19/69/14/458196914.db2.gz QSYZHEKFJKIOQG-JKSUJKDBSA-N 2 2 344.890 3.457 20 0 EGADLP CSCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000358830034 458244252 /nfs/dbraw/zinc/24/42/52/458244252.db2.gz QNXSMOJCRNDRGX-INIZCTEOSA-N 2 2 342.936 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436279506 458280736 /nfs/dbraw/zinc/28/07/36/458280736.db2.gz JFKKTXGJZDMUHC-KOUHRCEDSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000436279506 458280742 /nfs/dbraw/zinc/28/07/42/458280742.db2.gz JFKKTXGJZDMUHC-KOUHRCEDSA-N 2 2 330.516 3.487 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000447535884 458306708 /nfs/dbraw/zinc/30/67/08/458306708.db2.gz JCPPEHATAGZERN-HNNXBMFYSA-N 2 2 336.476 3.462 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000447535884 458306712 /nfs/dbraw/zinc/30/67/12/458306712.db2.gz JCPPEHATAGZERN-HNNXBMFYSA-N 2 2 336.476 3.462 20 0 EGADLP C=Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000447747135 458337235 /nfs/dbraw/zinc/33/72/35/458337235.db2.gz RQKUWBOPCNHMHO-NRFANRHFSA-N 2 2 336.483 3.472 20 0 EGADLP C=Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000447747135 458337237 /nfs/dbraw/zinc/33/72/37/458337237.db2.gz RQKUWBOPCNHMHO-NRFANRHFSA-N 2 2 336.483 3.472 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000447747135 458337241 /nfs/dbraw/zinc/33/72/41/458337241.db2.gz RQKUWBOPCNHMHO-NRFANRHFSA-N 2 2 336.483 3.472 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000447747135 458337245 /nfs/dbraw/zinc/33/72/45/458337245.db2.gz RQKUWBOPCNHMHO-NRFANRHFSA-N 2 2 336.483 3.472 20 0 EGADLP CC(C)[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698436 458359633 /nfs/dbraw/zinc/35/96/33/458359633.db2.gz NKCIERYYOSVXKQ-PMACEKPBSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698436 458359640 /nfs/dbraw/zinc/35/96/40/458359640.db2.gz NKCIERYYOSVXKQ-PMACEKPBSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698436 458359644 /nfs/dbraw/zinc/35/96/44/458359644.db2.gz NKCIERYYOSVXKQ-PMACEKPBSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698436 458359650 /nfs/dbraw/zinc/35/96/50/458359650.db2.gz NKCIERYYOSVXKQ-PMACEKPBSA-N 2 2 348.556 3.351 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]CCc2cccc(Cl)c2)[N@H+](Cc2ccccc2)C1 ZINC000459465858 458381335 /nfs/dbraw/zinc/38/13/35/458381335.db2.gz YBCHLXYYCJWPOC-VQTJNVASSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]CCc2cccc(Cl)c2)[N@@H+](Cc2ccccc2)C1 ZINC000459465858 458381339 /nfs/dbraw/zinc/38/13/39/458381339.db2.gz YBCHLXYYCJWPOC-VQTJNVASSA-N 2 2 344.886 3.108 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448033963 458383471 /nfs/dbraw/zinc/38/34/71/458383471.db2.gz ZIAHLAOMTMWQFC-YOEHRIQHSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448033963 458383473 /nfs/dbraw/zinc/38/34/73/458383473.db2.gz ZIAHLAOMTMWQFC-YOEHRIQHSA-N 2 2 335.467 3.253 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000423431132 458431655 /nfs/dbraw/zinc/43/16/55/458431655.db2.gz LJMPMWIAWVSGNY-KRWDZBQOSA-N 2 2 326.444 3.416 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000423444511 458434764 /nfs/dbraw/zinc/43/47/64/458434764.db2.gz XRNNEHPMHVLJIK-MOPGFXCFSA-N 2 2 338.451 3.386 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000373230023 458438122 /nfs/dbraw/zinc/43/81/22/458438122.db2.gz PPPWXFAFEBEACL-KRWDZBQOSA-N 2 2 335.455 3.200 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000373230023 458438127 /nfs/dbraw/zinc/43/81/27/458438127.db2.gz PPPWXFAFEBEACL-KRWDZBQOSA-N 2 2 335.455 3.200 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC000423510074 458448004 /nfs/dbraw/zinc/44/80/04/458448004.db2.gz RZFKBUCOAFAUPO-BURNTYAHSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCCC1 ZINC000423510074 458448008 /nfs/dbraw/zinc/44/80/08/458448008.db2.gz RZFKBUCOAFAUPO-BURNTYAHSA-N 3 2 327.516 3.004 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423523038 458451754 /nfs/dbraw/zinc/45/17/54/458451754.db2.gz MVJJQFXVQHMIDV-CJNGLKHVSA-N 2 2 331.485 3.066 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423531536 458452911 /nfs/dbraw/zinc/45/29/11/458452911.db2.gz YAYFKWVRWUXIMK-GDBMZVCRSA-N 2 2 326.868 3.014 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423535229 458454105 /nfs/dbraw/zinc/45/41/05/458454105.db2.gz XEEDVWGGYLZTRK-ZYSHUDEJSA-N 2 2 340.467 3.418 20 0 EGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423553455 458457126 /nfs/dbraw/zinc/45/71/26/458457126.db2.gz GXSPBNUVYMDJGN-MJGOQNOKSA-N 3 2 329.532 3.394 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430564845 458461862 /nfs/dbraw/zinc/46/18/62/458461862.db2.gz CTLDPAVJFYZQAB-VNHYZAJKSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430564845 458461865 /nfs/dbraw/zinc/46/18/65/458461865.db2.gz CTLDPAVJFYZQAB-VNHYZAJKSA-N 2 2 332.423 3.304 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000430576817 458465697 /nfs/dbraw/zinc/46/56/97/458465697.db2.gz YBMOOZFRZKPBIY-WMLDXEAASA-N 2 2 328.460 3.419 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000430576817 458465701 /nfs/dbraw/zinc/46/57/01/458465701.db2.gz YBMOOZFRZKPBIY-WMLDXEAASA-N 2 2 328.460 3.419 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430585825 458466902 /nfs/dbraw/zinc/46/69/02/458466902.db2.gz RJDBAOCJFGFORE-ZFWWWQNUSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583925 458466953 /nfs/dbraw/zinc/46/69/53/458466953.db2.gz YKWGGZLNOZURON-DZGCQCFKSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583925 458466955 /nfs/dbraw/zinc/46/69/55/458466955.db2.gz YKWGGZLNOZURON-DZGCQCFKSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583927 458467186 /nfs/dbraw/zinc/46/71/86/458467186.db2.gz YKWGGZLNOZURON-UKRRQHHQSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583927 458467191 /nfs/dbraw/zinc/46/71/91/458467191.db2.gz YKWGGZLNOZURON-UKRRQHHQSA-N 2 2 325.884 3.281 20 0 EGADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000423655570 458469251 /nfs/dbraw/zinc/46/92/51/458469251.db2.gz VKBRFXMTCHTEOG-ABAIWWIYSA-N 2 2 331.803 3.089 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)c(OC)c1 ZINC000430596564 458469472 /nfs/dbraw/zinc/46/94/72/458469472.db2.gz JOGMCFBUHIJELW-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)c(OC)c1 ZINC000430596564 458469477 /nfs/dbraw/zinc/46/94/77/458469477.db2.gz JOGMCFBUHIJELW-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758520 458470511 /nfs/dbraw/zinc/47/05/11/458470511.db2.gz VLGNGDHLRPXOQZ-PMACEKPBSA-N 2 2 328.500 3.449 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758520 458470513 /nfs/dbraw/zinc/47/05/13/458470513.db2.gz VLGNGDHLRPXOQZ-PMACEKPBSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758520 458470517 /nfs/dbraw/zinc/47/05/17/458470517.db2.gz VLGNGDHLRPXOQZ-PMACEKPBSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)C1CC1 ZINC000459758520 458470521 /nfs/dbraw/zinc/47/05/21/458470521.db2.gz VLGNGDHLRPXOQZ-PMACEKPBSA-N 2 2 328.500 3.449 20 0 EGADLP C[N@H+](CC(=O)N(c1ccccc1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430653045 458475240 /nfs/dbraw/zinc/47/52/40/458475240.db2.gz NXEJWLMYHCBULQ-UHFFFAOYSA-N 2 2 329.488 3.036 20 0 EGADLP C[N@@H+](CC(=O)N(c1ccccc1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430653045 458475242 /nfs/dbraw/zinc/47/52/42/458475242.db2.gz NXEJWLMYHCBULQ-UHFFFAOYSA-N 2 2 329.488 3.036 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430659604 458476595 /nfs/dbraw/zinc/47/65/95/458476595.db2.gz ZXABLUOYPONFRN-QGZVFWFLSA-N 2 2 337.467 3.224 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430659604 458476600 /nfs/dbraw/zinc/47/66/00/458476600.db2.gz ZXABLUOYPONFRN-QGZVFWFLSA-N 2 2 337.467 3.224 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430920212 458505414 /nfs/dbraw/zinc/50/54/14/458505414.db2.gz UOAIZJMYXLUULP-CXAGYDPISA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)cs2)cc1 ZINC000430920212 458505416 /nfs/dbraw/zinc/50/54/16/458505416.db2.gz UOAIZJMYXLUULP-CXAGYDPISA-N 2 2 331.485 3.378 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000423931625 458515715 /nfs/dbraw/zinc/51/57/15/458515715.db2.gz MLKSFZZVDQMDGN-YJYMSZOUSA-N 2 2 342.487 3.169 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000431021369 458517497 /nfs/dbraw/zinc/51/74/97/458517497.db2.gz IQPWUQBWDBFIJG-UHFFFAOYSA-N 2 2 325.391 3.263 20 0 EGADLP CC[NH+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453113607 458519181 /nfs/dbraw/zinc/51/91/81/458519181.db2.gz UOHYOQIXQFOFRH-PBHICJAKSA-N 2 2 334.895 3.483 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000431038998 458519978 /nfs/dbraw/zinc/51/99/78/458519978.db2.gz FYDOBEXPQFSYSI-QGZVFWFLSA-N 2 2 342.418 3.366 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(C)(C)[C@H]3C(C)C)c2cc1C ZINC000431126531 458532150 /nfs/dbraw/zinc/53/21/50/458532150.db2.gz GGNIWNCOWOTPPO-QFBILLFUSA-N 2 2 329.488 3.380 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(C)(C)[C@H]3C(C)C)c2cc1C ZINC000431126531 458532154 /nfs/dbraw/zinc/53/21/54/458532154.db2.gz GGNIWNCOWOTPPO-QFBILLFUSA-N 2 2 329.488 3.380 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100984 458532404 /nfs/dbraw/zinc/53/24/04/458532404.db2.gz FDAVNAVFLDOCLB-OAHLLOKOSA-N 2 2 330.501 3.302 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100984 458532408 /nfs/dbraw/zinc/53/24/08/458532408.db2.gz FDAVNAVFLDOCLB-OAHLLOKOSA-N 2 2 330.501 3.302 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100984 458532409 /nfs/dbraw/zinc/53/24/09/458532409.db2.gz FDAVNAVFLDOCLB-OAHLLOKOSA-N 2 2 330.501 3.302 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100984 458532412 /nfs/dbraw/zinc/53/24/12/458532412.db2.gz FDAVNAVFLDOCLB-OAHLLOKOSA-N 2 2 330.501 3.302 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000377887436 458565109 /nfs/dbraw/zinc/56/51/09/458565109.db2.gz FKHPOVXHKSAVTL-CYBMUJFWSA-N 2 2 325.334 3.308 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000377887436 458565115 /nfs/dbraw/zinc/56/51/15/458565115.db2.gz FKHPOVXHKSAVTL-CYBMUJFWSA-N 2 2 325.334 3.308 20 0 EGADLP Brc1cccc2c(N3CCn4c[nH+]cc4C3)cc[nH+]c12 ZINC000378000153 458595788 /nfs/dbraw/zinc/59/57/88/458595788.db2.gz YRDIOEJGUIJQLN-UHFFFAOYSA-N 2 2 329.201 3.214 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867610 458598535 /nfs/dbraw/zinc/59/85/35/458598535.db2.gz UHLSVQDMBQKDHB-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867610 458598537 /nfs/dbraw/zinc/59/85/37/458598537.db2.gz UHLSVQDMBQKDHB-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC000424359592 458624692 /nfs/dbraw/zinc/62/46/92/458624692.db2.gz YJNPIDJGLDQJPR-UUKMXZOPSA-N 2 2 346.515 3.419 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(C)cc2C)CC1 ZINC000546619416 458645759 /nfs/dbraw/zinc/64/57/59/458645759.db2.gz XYOHCYOHMFJMNY-SFHVURJKSA-N 2 2 346.515 3.242 20 0 EGADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713324 458736437 /nfs/dbraw/zinc/73/64/37/458736437.db2.gz VSNUTLILYRDLGG-CABCVRRESA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713324 458736441 /nfs/dbraw/zinc/73/64/41/458736441.db2.gz VSNUTLILYRDLGG-CABCVRRESA-N 2 2 344.459 3.069 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495054695 458790093 /nfs/dbraw/zinc/79/00/93/458790093.db2.gz WEDYCZBVHLZSMH-GOEBONIOSA-N 2 2 338.904 3.197 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082335 458795143 /nfs/dbraw/zinc/79/51/43/458795143.db2.gz BSKLTSNNLVUSEM-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082335 458795147 /nfs/dbraw/zinc/79/51/47/458795147.db2.gz BSKLTSNNLVUSEM-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082335 458795150 /nfs/dbraw/zinc/79/51/50/458795150.db2.gz BSKLTSNNLVUSEM-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082335 458795154 /nfs/dbraw/zinc/79/51/54/458795154.db2.gz BSKLTSNNLVUSEM-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+](CCC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000548064096 458832194 /nfs/dbraw/zinc/83/21/94/458832194.db2.gz TZTAGUQTXPLTLA-UHFFFAOYSA-N 2 2 340.471 3.143 20 0 EGADLP C[N@@H+](CCC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000548064096 458832201 /nfs/dbraw/zinc/83/22/01/458832201.db2.gz TZTAGUQTXPLTLA-UHFFFAOYSA-N 2 2 340.471 3.143 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000518790866 458893928 /nfs/dbraw/zinc/89/39/28/458893928.db2.gz PPYLSRQEUNVRDV-ZWKOTPCHSA-N 2 2 332.513 3.243 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000518790866 458893934 /nfs/dbraw/zinc/89/39/34/458893934.db2.gz PPYLSRQEUNVRDV-ZWKOTPCHSA-N 2 2 332.513 3.243 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000518797505 458894359 /nfs/dbraw/zinc/89/43/59/458894359.db2.gz WNBLTLIDASCKRM-IEBWSBKVSA-N 2 2 347.547 3.459 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000518797505 458894362 /nfs/dbraw/zinc/89/43/62/458894362.db2.gz WNBLTLIDASCKRM-IEBWSBKVSA-N 2 2 347.547 3.459 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378344 458908168 /nfs/dbraw/zinc/90/81/68/458908168.db2.gz BKNIASYEIYTAQB-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378344 458908174 /nfs/dbraw/zinc/90/81/74/458908174.db2.gz BKNIASYEIYTAQB-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378344 458908176 /nfs/dbraw/zinc/90/81/76/458908176.db2.gz BKNIASYEIYTAQB-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C ZINC000531378344 458908180 /nfs/dbraw/zinc/90/81/80/458908180.db2.gz BKNIASYEIYTAQB-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358973 458926798 /nfs/dbraw/zinc/92/67/98/458926798.db2.gz PDKDSWJLRGZIHR-MSOLQXFVSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000441358973 458926801 /nfs/dbraw/zinc/92/68/01/458926801.db2.gz PDKDSWJLRGZIHR-MSOLQXFVSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000441358973 458926806 /nfs/dbraw/zinc/92/68/06/458926806.db2.gz PDKDSWJLRGZIHR-MSOLQXFVSA-N 2 2 337.552 3.362 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000441358973 458926810 /nfs/dbraw/zinc/92/68/10/458926810.db2.gz PDKDSWJLRGZIHR-MSOLQXFVSA-N 2 2 337.552 3.362 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368318 458928489 /nfs/dbraw/zinc/92/84/89/458928489.db2.gz SIBYAZKSYZWDDV-CTNGQTDRSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368318 458928494 /nfs/dbraw/zinc/92/84/94/458928494.db2.gz SIBYAZKSYZWDDV-CTNGQTDRSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441368318 458928500 /nfs/dbraw/zinc/92/85/00/458928500.db2.gz SIBYAZKSYZWDDV-CTNGQTDRSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441368318 458928506 /nfs/dbraw/zinc/92/85/06/458928506.db2.gz SIBYAZKSYZWDDV-CTNGQTDRSA-N 2 2 345.531 3.306 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466889965 458929387 /nfs/dbraw/zinc/92/93/87/458929387.db2.gz FSPNGRGBJQGUJR-STZQEDGTSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000466889965 458929394 /nfs/dbraw/zinc/92/93/94/458929394.db2.gz FSPNGRGBJQGUJR-STZQEDGTSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+]C3CCN(c4cnccn4)CC3)cc2)c1C ZINC000576917281 458945516 /nfs/dbraw/zinc/94/55/16/458945516.db2.gz BXGRTYBPMDDSQZ-UHFFFAOYSA-N 2 2 348.454 3.360 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000467352046 458969977 /nfs/dbraw/zinc/96/99/77/458969977.db2.gz FAJNHDHRYDYJPJ-LSDHHAIUSA-N 2 2 344.421 3.194 20 0 EGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000532125006 459033417 /nfs/dbraw/zinc/03/34/17/459033417.db2.gz QEQSEXHCCOZIAZ-UHFFFAOYSA-N 2 2 337.427 3.072 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000520230536 459042242 /nfs/dbraw/zinc/04/22/42/459042242.db2.gz SREMCSKQWMCAPT-NZSAHSFTSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000520230536 459042247 /nfs/dbraw/zinc/04/22/47/459042247.db2.gz SREMCSKQWMCAPT-NZSAHSFTSA-N 2 2 349.478 3.222 20 0 EGADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000567093819 459046498 /nfs/dbraw/zinc/04/64/98/459046498.db2.gz HEIRLWBJRLICAJ-BZSNNMDCSA-N 2 2 339.487 3.319 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532239846 459052026 /nfs/dbraw/zinc/05/20/26/459052026.db2.gz SSULACBRTXLROU-DLBZAZTESA-N 2 2 331.504 3.459 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532239846 459052031 /nfs/dbraw/zinc/05/20/31/459052031.db2.gz SSULACBRTXLROU-DLBZAZTESA-N 2 2 331.504 3.459 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000577601345 459059628 /nfs/dbraw/zinc/05/96/28/459059628.db2.gz XHWICDNAUBJXFC-KRWDZBQOSA-N 2 2 337.427 3.279 20 0 EGADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000567442092 459106178 /nfs/dbraw/zinc/10/61/78/459106178.db2.gz XHPRGIHOFBNGHK-QGZVFWFLSA-N 2 2 344.503 3.087 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063359 459117306 /nfs/dbraw/zinc/11/73/06/459117306.db2.gz RLNICPHGNOPUOS-CJNGLKHVSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063359 459117308 /nfs/dbraw/zinc/11/73/08/459117308.db2.gz RLNICPHGNOPUOS-CJNGLKHVSA-N 2 2 333.501 3.082 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000496239828 459120420 /nfs/dbraw/zinc/12/04/20/459120420.db2.gz ZTEGPWQSWNUMJR-CABCVRRESA-N 2 2 336.480 3.044 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487633 459165307 /nfs/dbraw/zinc/16/53/07/459165307.db2.gz OSQNKIANBPJWHS-LPHOPBHVSA-N 2 2 340.471 3.222 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487633 459165313 /nfs/dbraw/zinc/16/53/13/459165313.db2.gz OSQNKIANBPJWHS-LPHOPBHVSA-N 2 2 340.471 3.222 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487634 459165478 /nfs/dbraw/zinc/16/54/78/459165478.db2.gz OSQNKIANBPJWHS-QFBILLFUSA-N 2 2 340.471 3.222 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487634 459165485 /nfs/dbraw/zinc/16/54/85/459165485.db2.gz OSQNKIANBPJWHS-QFBILLFUSA-N 2 2 340.471 3.222 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000496451790 459197941 /nfs/dbraw/zinc/19/79/41/459197941.db2.gz CZLGSHJTFGMGOR-IBGZPJMESA-N 2 2 347.503 3.095 20 0 EGADLP CC1(C)C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C(C)(C)O1 ZINC000480741786 459217235 /nfs/dbraw/zinc/21/72/35/459217235.db2.gz AJVSPULPKYDGSV-HNNXBMFYSA-N 2 2 326.550 3.284 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000533795432 459268660 /nfs/dbraw/zinc/26/86/60/459268660.db2.gz BPZFOWFKLRNESZ-INIZCTEOSA-N 2 2 339.886 3.476 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000533795432 459268666 /nfs/dbraw/zinc/26/86/66/459268666.db2.gz BPZFOWFKLRNESZ-INIZCTEOSA-N 2 2 339.886 3.476 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000559905748 459284882 /nfs/dbraw/zinc/28/48/82/459284882.db2.gz ZMYKMXAKJHARKJ-LEWJYISDSA-N 2 2 340.515 3.408 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000559905748 459284887 /nfs/dbraw/zinc/28/48/87/459284887.db2.gz ZMYKMXAKJHARKJ-LEWJYISDSA-N 2 2 340.515 3.408 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000595389138 459289917 /nfs/dbraw/zinc/28/99/17/459289917.db2.gz LKVQMAIZOVTQHJ-INIZCTEOSA-N 2 2 335.835 3.081 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000595389138 459289923 /nfs/dbraw/zinc/28/99/23/459289923.db2.gz LKVQMAIZOVTQHJ-INIZCTEOSA-N 2 2 335.835 3.081 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534326122 459313415 /nfs/dbraw/zinc/31/34/15/459313415.db2.gz SZJHFWIYIZFLRQ-IRXDYDNUSA-N 2 2 332.492 3.142 20 0 EGADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000591161273 459325167 /nfs/dbraw/zinc/32/51/67/459325167.db2.gz VMJFZXIXOGMSGQ-UHFFFAOYSA-N 2 2 349.478 3.028 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)n2c1 ZINC000496821777 459336356 /nfs/dbraw/zinc/33/63/56/459336356.db2.gz SDSAJNHIMZQTEV-KGLIPLIRSA-N 2 2 332.448 3.034 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2o1 ZINC000591447008 459382947 /nfs/dbraw/zinc/38/29/47/459382947.db2.gz WKFGDLKIEUEGKO-DLBZAZTESA-N 2 2 342.439 3.326 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2o1 ZINC000591447008 459382950 /nfs/dbraw/zinc/38/29/50/459382950.db2.gz WKFGDLKIEUEGKO-DLBZAZTESA-N 2 2 342.439 3.326 20 0 EGADLP CC(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484662047 459426425 /nfs/dbraw/zinc/42/64/25/459426425.db2.gz FTONIKGQKALVLP-IBGZPJMESA-N 2 2 346.515 3.266 20 0 EGADLP CC(C)COc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000484662047 459426430 /nfs/dbraw/zinc/42/64/30/459426430.db2.gz FTONIKGQKALVLP-IBGZPJMESA-N 2 2 346.515 3.266 20 0 EGADLP CSCc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000591762592 459430097 /nfs/dbraw/zinc/43/00/97/459430097.db2.gz LZPJYRXKANMTJN-HXUWFJFHSA-N 2 2 344.524 3.132 20 0 EGADLP CSCc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000591762592 459430099 /nfs/dbraw/zinc/43/00/99/459430099.db2.gz LZPJYRXKANMTJN-HXUWFJFHSA-N 2 2 344.524 3.132 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464645 459455774 /nfs/dbraw/zinc/45/57/74/459455774.db2.gz SGFQRTNBCRSSPE-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464645 459455781 /nfs/dbraw/zinc/45/57/81/459455781.db2.gz SGFQRTNBCRSSPE-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000569464645 459455787 /nfs/dbraw/zinc/45/57/87/459455787.db2.gz SGFQRTNBCRSSPE-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000569464645 459455792 /nfs/dbraw/zinc/45/57/92/459455792.db2.gz SGFQRTNBCRSSPE-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP C[C@@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000497147277 459459811 /nfs/dbraw/zinc/45/98/11/459459811.db2.gz MRJSCYKVDWNBLN-CVEARBPZSA-N 2 2 348.491 3.071 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000497235786 459496689 /nfs/dbraw/zinc/49/66/89/459496689.db2.gz INGOPAOSRBAARV-BFYDXBDKSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000497235786 459496694 /nfs/dbraw/zinc/49/66/94/459496694.db2.gz INGOPAOSRBAARV-BFYDXBDKSA-N 2 2 339.524 3.142 20 0 EGADLP CSC1(CNc2cc(Nc3ccccc3)[nH+]cn2)CC[NH+](C)CC1 ZINC000596238170 459571393 /nfs/dbraw/zinc/57/13/93/459571393.db2.gz KPFVJQXODUEGFK-UHFFFAOYSA-N 2 2 343.500 3.460 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000583638694 459573803 /nfs/dbraw/zinc/57/38/03/459573803.db2.gz GWNBJIJDWBXGRB-HNNXBMFYSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000583638694 459573807 /nfs/dbraw/zinc/57/38/07/459573807.db2.gz GWNBJIJDWBXGRB-HNNXBMFYSA-N 2 2 326.375 3.204 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)ccc2n1C1CC1 ZINC000572898711 459591976 /nfs/dbraw/zinc/59/19/76/459591976.db2.gz IEKFSRWNVDBSPI-OKILXGFUSA-N 2 2 340.471 3.169 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@@H](C)[C@H](C)C3)c2cc1C ZINC000583786683 459595380 /nfs/dbraw/zinc/59/53/80/459595380.db2.gz LEDGBIAGFXOFIA-DTTOXWODSA-N 2 2 329.488 3.428 20 0 EGADLP CCc1ccc([C@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+](C)C)cc1 ZINC000592454446 459603250 /nfs/dbraw/zinc/60/32/50/459603250.db2.gz SCWZCZSREUPLRZ-SFHVURJKSA-N 2 2 339.487 3.354 20 0 EGADLP C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000562661529 459615035 /nfs/dbraw/zinc/61/50/35/459615035.db2.gz NIYLSGHHDLNAKR-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCC[C@@H](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000562661529 459615036 /nfs/dbraw/zinc/61/50/36/459615036.db2.gz NIYLSGHHDLNAKR-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000499672784 459646136 /nfs/dbraw/zinc/64/61/36/459646136.db2.gz URYUOHPRPFSOJB-JSGCOSHPSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000499672784 459646140 /nfs/dbraw/zinc/64/61/40/459646140.db2.gz URYUOHPRPFSOJB-JSGCOSHPSA-N 2 2 328.378 3.299 20 0 EGADLP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1 ZINC000527535097 459656688 /nfs/dbraw/zinc/65/66/88/459656688.db2.gz PXLIUMIDKUJNPJ-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000527654036 459685065 /nfs/dbraw/zinc/68/50/65/459685065.db2.gz PLPFFMPJFZNXLF-QGZVFWFLSA-N 2 2 329.875 3.389 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000527654036 459685070 /nfs/dbraw/zinc/68/50/70/459685070.db2.gz PLPFFMPJFZNXLF-QGZVFWFLSA-N 2 2 329.875 3.389 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527686013 459700969 /nfs/dbraw/zinc/70/09/69/459700969.db2.gz ZHBSHZSNDOGKKU-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1C ZINC000573579083 459701069 /nfs/dbraw/zinc/70/10/69/459701069.db2.gz NWCHIJQWJXUKGJ-CQSZACIVSA-N 2 2 349.438 3.227 20 0 EGADLP C[NH+](C)CCCC(C)(C)NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493597879 459755166 /nfs/dbraw/zinc/75/51/66/459755166.db2.gz ZMJFUQTZMMLSPU-FLIBITNWSA-N 2 2 340.471 3.122 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@H]3CC34CC4)CC2)cc1 ZINC000527902789 459769363 /nfs/dbraw/zinc/76/93/63/459769363.db2.gz GZUHWBZDFCSOEB-FOIQADDNSA-N 2 2 341.499 3.388 20 0 EGADLP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000584629058 459776650 /nfs/dbraw/zinc/77/66/50/459776650.db2.gz ZBQIJCWJRHDZOU-VIQWUECVSA-N 2 2 346.519 3.193 20 0 EGADLP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000545223350 459811681 /nfs/dbraw/zinc/81/16/81/459811681.db2.gz MBSUVWMLOGAPNK-LJQANCHMSA-N 2 2 339.439 3.181 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC000566417830 459863833 /nfs/dbraw/zinc/86/38/33/459863833.db2.gz ZDAHPYYLITXLQX-IAGOWNOFSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC000566417830 459863839 /nfs/dbraw/zinc/86/38/39/459863839.db2.gz ZDAHPYYLITXLQX-IAGOWNOFSA-N 2 2 328.456 3.442 20 0 EGADLP Clc1ccccc1[C@H](CNc1[nH+]cnc2[nH]ccc21)[NH+]1CCCC1 ZINC000588895580 459999116 /nfs/dbraw/zinc/99/91/16/459999116.db2.gz PYUNSGUPOAICRU-INIZCTEOSA-N 2 2 341.846 3.282 20 0 EGADLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609798252 460020562 /nfs/dbraw/zinc/02/05/62/460020562.db2.gz LPBDARVDIJGZFL-HXUWFJFHSA-N 2 2 344.499 3.489 20 0 EGADLP COC(=O)CC1CCC([NH2+]CCCc2[nH+]c3ccccc3n2C)CC1 ZINC000599029402 460132367 /nfs/dbraw/zinc/13/23/67/460132367.db2.gz CDCZTOAMUPHUDY-UHFFFAOYSA-N 2 2 343.471 3.217 20 0 EGADLP Clc1cccc2c1CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000576742844 460204265 /nfs/dbraw/zinc/20/42/65/460204265.db2.gz CHCZWMKNNXMSJR-QGZVFWFLSA-N 2 2 328.847 3.244 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000599309043 460224341 /nfs/dbraw/zinc/22/43/41/460224341.db2.gz MLGRQKNUEMROOA-QAPCUYQASA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000599309043 460224346 /nfs/dbraw/zinc/22/43/46/460224346.db2.gz MLGRQKNUEMROOA-QAPCUYQASA-N 2 2 349.906 3.030 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000626089280 460367092 /nfs/dbraw/zinc/36/70/92/460367092.db2.gz JMSNCASSWZWIMJ-GOSISDBHSA-N 2 2 336.520 3.055 20 0 EGADLP Cc1cccn2cc(CN3CC[NH+](C4CCC(C)CC4)CC3)[nH+]c12 ZINC000604395021 460419627 /nfs/dbraw/zinc/41/96/27/460419627.db2.gz SLILMSUKUAMOSF-UHFFFAOYSA-N 2 2 326.488 3.339 20 0 EGADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000631631657 460481087 /nfs/dbraw/zinc/48/10/87/460481087.db2.gz JCYKUTYATJXDLG-SFHVURJKSA-N 2 2 338.495 3.331 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000631662435 460496186 /nfs/dbraw/zinc/49/61/86/460496186.db2.gz GACGQAOUAITECK-AOIWGVFYSA-N 2 2 338.499 3.248 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000631662435 460496192 /nfs/dbraw/zinc/49/61/92/460496192.db2.gz GACGQAOUAITECK-AOIWGVFYSA-N 2 2 338.499 3.248 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000631665799 460499574 /nfs/dbraw/zinc/49/95/74/460499574.db2.gz XZBMJNGPHSXVPZ-WDSOQIARSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000631665799 460499578 /nfs/dbraw/zinc/49/95/78/460499578.db2.gz XZBMJNGPHSXVPZ-WDSOQIARSA-N 2 2 326.488 3.229 20 0 EGADLP CC[N@H+](CCCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601220992 460755351 /nfs/dbraw/zinc/75/53/51/460755351.db2.gz FLLNXZIGKDYTJG-GOSISDBHSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601220992 460755353 /nfs/dbraw/zinc/75/53/53/460755353.db2.gz FLLNXZIGKDYTJG-GOSISDBHSA-N 2 2 346.519 3.075 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892115 460764139 /nfs/dbraw/zinc/76/41/39/460764139.db2.gz FJLZRLLGGXELIA-KBXCAEBGSA-N 2 2 346.906 3.034 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892115 460764143 /nfs/dbraw/zinc/76/41/43/460764143.db2.gz FJLZRLLGGXELIA-KBXCAEBGSA-N 2 2 346.906 3.034 20 0 EGADLP CC(C)C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC000635448039 460790336 /nfs/dbraw/zinc/79/03/36/460790336.db2.gz VVIZMDBDZACTKP-LJQANCHMSA-N 2 2 346.519 3.241 20 0 EGADLP CO[C@H](C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000629540184 460800877 /nfs/dbraw/zinc/80/08/77/460800877.db2.gz RFUWJPMDHLRTHO-IPMKNSEASA-N 2 2 332.394 3.079 20 0 EGADLP CO[C@H](C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000629540184 460800883 /nfs/dbraw/zinc/80/08/83/460800883.db2.gz RFUWJPMDHLRTHO-IPMKNSEASA-N 2 2 332.394 3.079 20 0 EGADLP CC(C)C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549043 460827888 /nfs/dbraw/zinc/82/78/88/460827888.db2.gz YTWLOQUEXVXJQQ-PKOBYXMFSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549043 460827894 /nfs/dbraw/zinc/82/78/94/460827894.db2.gz YTWLOQUEXVXJQQ-PKOBYXMFSA-N 2 2 342.487 3.107 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000629651179 460847813 /nfs/dbraw/zinc/84/78/13/460847813.db2.gz KVLMRCOWHZCGIB-UHFFFAOYSA-N 2 2 330.476 3.094 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000629651179 460847819 /nfs/dbraw/zinc/84/78/19/460847819.db2.gz KVLMRCOWHZCGIB-UHFFFAOYSA-N 2 2 330.476 3.094 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629655378 460848498 /nfs/dbraw/zinc/84/84/98/460848498.db2.gz KEUUIUQQIRCGET-JSGCOSHPSA-N 2 2 348.796 3.234 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629655378 460848500 /nfs/dbraw/zinc/84/85/00/460848500.db2.gz KEUUIUQQIRCGET-JSGCOSHPSA-N 2 2 348.796 3.234 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC ZINC000629654933 460849770 /nfs/dbraw/zinc/84/97/70/460849770.db2.gz JVPOXZGDQSHRAM-KGLIPLIRSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC ZINC000629654933 460849778 /nfs/dbraw/zinc/84/97/78/460849778.db2.gz JVPOXZGDQSHRAM-KGLIPLIRSA-N 2 2 346.393 3.053 20 0 EGADLP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633023830 460932191 /nfs/dbraw/zinc/93/21/91/460932191.db2.gz SUBKOGYTNMAYBV-UHFFFAOYSA-N 2 2 326.444 3.025 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000633181121 460991543 /nfs/dbraw/zinc/99/15/43/460991543.db2.gz GKNNEBUAOWCXHA-OAHLLOKOSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@H+](C2CCC2)C1 ZINC000633181121 460991548 /nfs/dbraw/zinc/99/15/48/460991548.db2.gz GKNNEBUAOWCXHA-OAHLLOKOSA-N 2 2 338.455 3.023 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000621355519 461004710 /nfs/dbraw/zinc/00/47/10/461004710.db2.gz OYQUHCNAEJAEPJ-JXFKEZNVSA-N 2 2 325.456 3.233 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000621355519 461004714 /nfs/dbraw/zinc/00/47/14/461004714.db2.gz OYQUHCNAEJAEPJ-JXFKEZNVSA-N 2 2 325.456 3.233 20 0 EGADLP CCn1cc[nH+]c1CN1CCC[N@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000628165620 461028333 /nfs/dbraw/zinc/02/83/33/461028333.db2.gz FQBRPHYCXLSGPX-UHFFFAOYSA-N 2 2 337.471 3.092 20 0 EGADLP CCn1cc[nH+]c1CN1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000628165620 461028337 /nfs/dbraw/zinc/02/83/37/461028337.db2.gz FQBRPHYCXLSGPX-UHFFFAOYSA-N 2 2 337.471 3.092 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183145 461036191 /nfs/dbraw/zinc/03/61/91/461036191.db2.gz RVWVCTPRTXVWNY-UKRRQHHQSA-N 2 2 325.447 3.335 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183145 461036197 /nfs/dbraw/zinc/03/61/97/461036197.db2.gz RVWVCTPRTXVWNY-UKRRQHHQSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183145 461036200 /nfs/dbraw/zinc/03/62/00/461036200.db2.gz RVWVCTPRTXVWNY-UKRRQHHQSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183145 461036202 /nfs/dbraw/zinc/03/62/02/461036202.db2.gz RVWVCTPRTXVWNY-UKRRQHHQSA-N 2 2 325.447 3.335 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ncc1Br ZINC000628190583 461043112 /nfs/dbraw/zinc/04/31/12/461043112.db2.gz KKDIJXOYCFNLQY-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000628190583 461043116 /nfs/dbraw/zinc/04/31/16/461043116.db2.gz KKDIJXOYCFNLQY-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190583 461043119 /nfs/dbraw/zinc/04/31/19/461043119.db2.gz KKDIJXOYCFNLQY-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190583 461043122 /nfs/dbraw/zinc/04/31/22/461043122.db2.gz KKDIJXOYCFNLQY-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(NC(=O)NCC2([NH3+])CCCC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000659007621 461133744 /nfs/dbraw/zinc/13/37/44/461133744.db2.gz PEIUOLYSBAZTGR-HNNXBMFYSA-N 2 2 345.491 3.162 20 0 EGADLP CCCn1nccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146716 461134521 /nfs/dbraw/zinc/13/45/21/461134521.db2.gz OXJPHDAQQXQJCS-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCCn1nccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146716 461134530 /nfs/dbraw/zinc/13/45/30/461134530.db2.gz OXJPHDAQQXQJCS-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCCn1nccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668146716 461134536 /nfs/dbraw/zinc/13/45/36/461134536.db2.gz OXJPHDAQQXQJCS-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCCn1nccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668146716 461134547 /nfs/dbraw/zinc/13/45/47/461134547.db2.gz OXJPHDAQQXQJCS-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668154887 461139004 /nfs/dbraw/zinc/13/90/04/461139004.db2.gz ZHAQOVBSNVRPSS-MRXNPFEDSA-N 2 2 329.448 3.029 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668154887 461139011 /nfs/dbraw/zinc/13/90/11/461139011.db2.gz ZHAQOVBSNVRPSS-MRXNPFEDSA-N 2 2 329.448 3.029 20 0 EGADLP c1cc(C[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)c2c(c1)C[NH2+]CC2 ZINC000662252952 461144648 /nfs/dbraw/zinc/14/46/48/461144648.db2.gz DYOPEUUPDQDVFK-GOSISDBHSA-N 2 2 338.455 3.320 20 0 EGADLP c1cc(C[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)c2c(c1)C[NH2+]CC2 ZINC000662252952 461144651 /nfs/dbraw/zinc/14/46/51/461144651.db2.gz DYOPEUUPDQDVFK-GOSISDBHSA-N 2 2 338.455 3.320 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)ccc1F ZINC000652351507 461147676 /nfs/dbraw/zinc/14/76/76/461147676.db2.gz BUDKJSZBNNIUOO-RFUYNDQBSA-N 2 2 344.434 3.306 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)ccc1F ZINC000652351507 461147689 /nfs/dbraw/zinc/14/76/89/461147689.db2.gz BUDKJSZBNNIUOO-RFUYNDQBSA-N 2 2 344.434 3.306 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652353573 461147711 /nfs/dbraw/zinc/14/77/11/461147711.db2.gz RAQPUTLSTHHEJX-IAQYHMDHSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@@H]1CC[NH3+] ZINC000652353573 461147720 /nfs/dbraw/zinc/14/77/20/461147720.db2.gz RAQPUTLSTHHEJX-IAQYHMDHSA-N 2 2 344.286 3.381 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950365 461148385 /nfs/dbraw/zinc/14/83/85/461148385.db2.gz CPAMIOJDFJNSER-HOCLYGCPSA-N 2 2 327.428 3.294 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950365 461148387 /nfs/dbraw/zinc/14/83/87/461148387.db2.gz CPAMIOJDFJNSER-HOCLYGCPSA-N 2 2 327.428 3.294 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638017069 461199235 /nfs/dbraw/zinc/19/92/35/461199235.db2.gz BXDAJKCNXNDIGZ-NVXWUHKLSA-N 2 2 327.428 3.225 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638017069 461199242 /nfs/dbraw/zinc/19/92/42/461199242.db2.gz BXDAJKCNXNDIGZ-NVXWUHKLSA-N 2 2 327.428 3.225 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298899 461234914 /nfs/dbraw/zinc/23/49/14/461234914.db2.gz NJXPYBYCRCMWAI-IBGZPJMESA-N 2 2 332.488 3.080 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298899 461234920 /nfs/dbraw/zinc/23/49/20/461234920.db2.gz NJXPYBYCRCMWAI-IBGZPJMESA-N 2 2 332.488 3.080 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000668298193 461235275 /nfs/dbraw/zinc/23/52/75/461235275.db2.gz QFWLYBZAABISTA-WMQCIHAUSA-N 2 2 346.515 3.249 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000668298193 461235276 /nfs/dbraw/zinc/23/52/76/461235276.db2.gz QFWLYBZAABISTA-WMQCIHAUSA-N 2 2 346.515 3.249 20 0 EGADLP C[N@@H+]1CC[C@@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000641469920 461260481 /nfs/dbraw/zinc/26/04/81/461260481.db2.gz UPRUHZKYWRPGTO-KSSFIOAISA-N 2 2 349.837 3.471 20 0 EGADLP C[N@H+]1CC[C@@H](CNc2cc(CO)cc[nH+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000641469920 461260488 /nfs/dbraw/zinc/26/04/88/461260488.db2.gz UPRUHZKYWRPGTO-KSSFIOAISA-N 2 2 349.837 3.471 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@@H]1n1cc[nH+]c1 ZINC000638170076 461284334 /nfs/dbraw/zinc/28/43/34/461284334.db2.gz CLSZWDUIGIPHRN-MJGOQNOKSA-N 2 2 343.471 3.118 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000638173918 461286314 /nfs/dbraw/zinc/28/63/14/461286314.db2.gz HHERURVYBAXMJR-SFHVURJKSA-N 2 2 343.858 3.402 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000638173918 461286322 /nfs/dbraw/zinc/28/63/22/461286322.db2.gz HHERURVYBAXMJR-SFHVURJKSA-N 2 2 343.858 3.402 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)o2)[C@H](C)C1 ZINC000641728376 461339992 /nfs/dbraw/zinc/33/99/92/461339992.db2.gz QZPJCFLAHDICRV-GDBMZVCRSA-N 2 2 326.506 3.228 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC)o2)[C@H](C)C1 ZINC000641728376 461339998 /nfs/dbraw/zinc/33/99/98/461339998.db2.gz QZPJCFLAHDICRV-GDBMZVCRSA-N 2 2 326.506 3.228 20 0 EGADLP CC(C)Oc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655690556 461363438 /nfs/dbraw/zinc/36/34/38/461363438.db2.gz DERYSBDXEMAKHH-LPHOPBHVSA-N 2 2 332.488 3.378 20 0 EGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697958 461369070 /nfs/dbraw/zinc/36/90/70/461369070.db2.gz UXBAWUCDYYRFPK-SJLPKXTDSA-N 2 2 332.488 3.444 20 0 EGADLP Clc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701359 461371708 /nfs/dbraw/zinc/37/17/08/461371708.db2.gz SKUZJZARJYUNLV-YOEHRIQHSA-N 2 2 336.863 3.007 20 0 EGADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCn4ccnc43)C2)c1 ZINC000655703445 461374057 /nfs/dbraw/zinc/37/40/57/461374057.db2.gz GNHBBWLFJOLXER-RDJZCZTQSA-N 2 2 330.501 3.281 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCCn4ccnc43)C2)c1 ZINC000655703445 461374064 /nfs/dbraw/zinc/37/40/64/461374064.db2.gz GNHBBWLFJOLXER-RDJZCZTQSA-N 2 2 330.501 3.281 20 0 EGADLP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)noc1-c1ccccc1 ZINC000655705110 461375966 /nfs/dbraw/zinc/37/59/66/461375966.db2.gz WENDLCJPWBQGOC-IBGZPJMESA-N 2 2 341.455 3.075 20 0 EGADLP Oc1ccc(C2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000668694038 461386355 /nfs/dbraw/zinc/38/63/55/461386355.db2.gz YJHPLFNVDRDWTF-OUNSHVDWSA-N 2 2 344.499 3.261 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000668716063 461394578 /nfs/dbraw/zinc/39/45/78/461394578.db2.gz QZUKBDGBSKPABN-HNNXBMFYSA-N 2 2 329.271 3.243 20 0 EGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655728822 461396669 /nfs/dbraw/zinc/39/66/69/461396669.db2.gz YOJWKKKEXTXJBF-SESVDKBCSA-N 2 2 328.500 3.241 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000655736774 461402476 /nfs/dbraw/zinc/40/24/76/461402476.db2.gz SBBVGPPSXZGMON-DOMZBBRYSA-N 2 2 326.843 3.383 20 0 EGADLP COc1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)s1 ZINC000638420126 461420010 /nfs/dbraw/zinc/42/00/10/461420010.db2.gz LETRBEGNEOQWNK-UHFFFAOYSA-N 2 2 332.404 3.075 20 0 EGADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655760300 461426489 /nfs/dbraw/zinc/42/64/89/461426489.db2.gz NHWZPROWLUPCMC-MRXNPFEDSA-N 2 2 344.455 3.174 20 0 EGADLP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655768764 461432454 /nfs/dbraw/zinc/43/24/54/461432454.db2.gz OKRLFVWADRFTHX-AFTWLNQJSA-N 2 2 340.511 3.023 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000659876491 461475372 /nfs/dbraw/zinc/47/53/72/461475372.db2.gz IAALOUSESLACPK-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000659876491 461475377 /nfs/dbraw/zinc/47/53/77/461475377.db2.gz IAALOUSESLACPK-UHFFFAOYSA-N 2 2 346.338 3.458 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000653076742 461489829 /nfs/dbraw/zinc/48/98/29/461489829.db2.gz CYUBHWIQXVATNL-OAHLLOKOSA-N 2 2 347.846 3.350 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849025 461496740 /nfs/dbraw/zinc/49/67/40/461496740.db2.gz OQZBUSVAKSYBAT-IOMROCGXSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849025 461496744 /nfs/dbraw/zinc/49/67/44/461496744.db2.gz OQZBUSVAKSYBAT-IOMROCGXSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929848 461499892 /nfs/dbraw/zinc/49/98/92/461499892.db2.gz WRRLKYSEXGMXEU-JAZQRGJZSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929848 461499899 /nfs/dbraw/zinc/49/98/99/461499899.db2.gz WRRLKYSEXGMXEU-JAZQRGJZSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929848 461499910 /nfs/dbraw/zinc/49/99/10/461499910.db2.gz WRRLKYSEXGMXEU-JAZQRGJZSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659929848 461499916 /nfs/dbraw/zinc/49/99/16/461499916.db2.gz WRRLKYSEXGMXEU-JAZQRGJZSA-N 2 2 347.547 3.020 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855033 461502416 /nfs/dbraw/zinc/50/24/16/461502416.db2.gz ALRLMBQXOWKACN-PCCBWWKXSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855033 461502423 /nfs/dbraw/zinc/50/24/23/461502423.db2.gz ALRLMBQXOWKACN-PCCBWWKXSA-N 2 2 344.499 3.351 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1OCCO2 ZINC000655857517 461504803 /nfs/dbraw/zinc/50/48/03/461504803.db2.gz VLHSOUGOMFBIHR-CVEARBPZSA-N 2 2 336.863 3.218 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1OCCO2 ZINC000655857517 461504807 /nfs/dbraw/zinc/50/48/07/461504807.db2.gz VLHSOUGOMFBIHR-CVEARBPZSA-N 2 2 336.863 3.218 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855640 461504946 /nfs/dbraw/zinc/50/49/46/461504946.db2.gz FRIOWPCXGMPULC-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855640 461504952 /nfs/dbraw/zinc/50/49/52/461504952.db2.gz FRIOWPCXGMPULC-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP c1cc2c(cc1C[NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)OCCCCO2 ZINC000655859050 461507376 /nfs/dbraw/zinc/50/73/76/461507376.db2.gz DFHQYQYTUYYMSZ-MSOLQXFVSA-N 2 2 330.472 3.345 20 0 EGADLP c1cc2c(cc1C[NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)OCCCCO2 ZINC000655859050 461507380 /nfs/dbraw/zinc/50/73/80/461507380.db2.gz DFHQYQYTUYYMSZ-MSOLQXFVSA-N 2 2 330.472 3.345 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000631055053 461508718 /nfs/dbraw/zinc/50/87/18/461508718.db2.gz FQFHLVLSNSVSAY-HXUWFJFHSA-N 2 2 325.456 3.346 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638702233 461545008 /nfs/dbraw/zinc/54/50/08/461545008.db2.gz ZHEVLHXBMZFBFS-PKOBYXMFSA-N 2 2 335.455 3.178 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]CCC(=O)N(C)c2ccccc2)[NH+](C)C)cc1 ZINC000663360971 461589394 /nfs/dbraw/zinc/58/93/94/461589394.db2.gz SQWNLNPAOFSHNF-HXUWFJFHSA-N 2 2 339.483 3.240 20 0 EGADLP [NH3+]CC1(O)CCN(c2ccc3c(Cl)c4c([nH+]c3c2)CCCC4)CC1 ZINC000643053746 461598241 /nfs/dbraw/zinc/59/82/41/461598241.db2.gz HTKHPCURLVKSFT-UHFFFAOYSA-N 2 2 345.874 3.057 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643061692 461599077 /nfs/dbraw/zinc/59/90/77/461599077.db2.gz IEPQFJDAZBXODO-SJLPKXTDSA-N 2 2 345.487 3.020 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643061692 461599082 /nfs/dbraw/zinc/59/90/82/461599082.db2.gz IEPQFJDAZBXODO-SJLPKXTDSA-N 2 2 345.487 3.020 20 0 EGADLP COCCOc1cccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647262924 461599979 /nfs/dbraw/zinc/59/99/79/461599979.db2.gz YRGHFRRDYRCNEC-UHFFFAOYSA-N 2 2 339.439 3.000 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NC1CC[NH+](Cc2ccccn2)CC1 ZINC000663394826 461616138 /nfs/dbraw/zinc/61/61/38/461616138.db2.gz VKGPHUCFEIFHGK-UHFFFAOYSA-N 2 2 333.439 3.289 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](Cc1cc(F)ccc1OC(F)F)CC2 ZINC000660167352 461617479 /nfs/dbraw/zinc/61/74/79/461617479.db2.gz QASJQTRLNVZEEE-UHFFFAOYSA-N 2 2 328.378 3.487 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](Cc1cc(F)ccc1OC(F)F)CC2 ZINC000660167352 461617488 /nfs/dbraw/zinc/61/74/88/461617488.db2.gz QASJQTRLNVZEEE-UHFFFAOYSA-N 2 2 328.378 3.487 20 0 EGADLP CCn1cc[nH+]c1CN[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000631193109 461633155 /nfs/dbraw/zinc/63/31/55/461633155.db2.gz MHMMLYKQJYCRSP-OAHLLOKOSA-N 2 2 340.393 3.314 20 0 EGADLP COC[C@@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)c1ccc(F)c(F)c1 ZINC000647363748 461658899 /nfs/dbraw/zinc/65/88/99/461658899.db2.gz IZXJLHZCSAOLQI-GOSISDBHSA-N 2 2 345.393 3.441 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccccc3-n3ccnn3)cn21 ZINC000647363970 461659608 /nfs/dbraw/zinc/65/96/08/461659608.db2.gz PDVJUSDZUACEEI-MRXNPFEDSA-N 2 2 346.438 3.117 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000663511225 461680873 /nfs/dbraw/zinc/68/08/73/461680873.db2.gz WFZVFDOEBIWPIQ-CQSZACIVSA-N 2 2 330.476 3.011 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@H]1Cn1cc[nH+]c1)CC2 ZINC000639042837 461688095 /nfs/dbraw/zinc/68/80/95/461688095.db2.gz LAFKQOKIJBAHGR-RDJZCZTQSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@H]1Cn1cc[nH+]c1)CC2 ZINC000639042837 461688102 /nfs/dbraw/zinc/68/81/02/461688102.db2.gz LAFKQOKIJBAHGR-RDJZCZTQSA-N 2 2 327.428 3.052 20 0 EGADLP c1c[nH+]c2c(c1)CC[C@H](Nc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000643348033 461699504 /nfs/dbraw/zinc/69/95/04/461699504.db2.gz ITLFLXKIUBOCNT-FQEVSTJZSA-N 2 2 337.467 3.273 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072635 461707186 /nfs/dbraw/zinc/70/71/86/461707186.db2.gz YFNQWQPKKVPABA-BJLQDIEVSA-N 3 2 336.483 3.156 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072635 461707194 /nfs/dbraw/zinc/70/71/94/461707194.db2.gz YFNQWQPKKVPABA-BJLQDIEVSA-N 3 2 336.483 3.156 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H](C)[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000666615630 461721472 /nfs/dbraw/zinc/72/14/72/461721472.db2.gz AMYDRCJNYZBTBL-HOTGVXAUSA-N 2 2 347.507 3.231 20 0 EGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000643460891 461734419 /nfs/dbraw/zinc/73/44/19/461734419.db2.gz BQHNYTJXUXIZAJ-LIRRHRJNSA-N 2 2 341.430 3.166 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501649 461746702 /nfs/dbraw/zinc/74/67/02/461746702.db2.gz NCLYCIJPJNEXCO-WOZUAGRISA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501649 461746709 /nfs/dbraw/zinc/74/67/09/461746709.db2.gz NCLYCIJPJNEXCO-WOZUAGRISA-N 3 2 327.516 3.019 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643502036 461747532 /nfs/dbraw/zinc/74/75/32/461747532.db2.gz WKZNKRIMAQZVBL-MAUKXSAKSA-N 2 2 332.492 3.353 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000643531627 461754350 /nfs/dbraw/zinc/75/43/50/461754350.db2.gz XFHSVNBQTWQJCH-XOBRGWDASA-N 2 2 335.451 3.109 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000660446884 461783874 /nfs/dbraw/zinc/78/38/74/461783874.db2.gz IHJQPQLTBGXKIO-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000660446884 461783880 /nfs/dbraw/zinc/78/38/80/461783880.db2.gz IHJQPQLTBGXKIO-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000660446884 461783886 /nfs/dbraw/zinc/78/38/86/461783886.db2.gz IHJQPQLTBGXKIO-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnc5ccccc5n4)C[C@@H]3C2)cc1 ZINC000660446884 461783890 /nfs/dbraw/zinc/78/38/90/461783890.db2.gz IHJQPQLTBGXKIO-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000660489440 461808771 /nfs/dbraw/zinc/80/87/71/461808771.db2.gz WVIWOVMFESIGLL-KRWDZBQOSA-N 2 2 329.444 3.074 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000660489440 461808775 /nfs/dbraw/zinc/80/87/75/461808775.db2.gz WVIWOVMFESIGLL-KRWDZBQOSA-N 2 2 329.444 3.074 20 0 EGADLP Cc1ccc2c(C)cc(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)[nH+]c2c1 ZINC000643860179 461819319 /nfs/dbraw/zinc/81/93/19/461819319.db2.gz CBCYOYZJXODUIM-IRXDYDNUSA-N 2 2 327.472 3.185 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1)[NH+]1CCCCCC1 ZINC000669917035 461838503 /nfs/dbraw/zinc/83/85/03/461838503.db2.gz IUUQYJKUDFUMNE-QAPCUYQASA-N 2 2 349.906 3.077 20 0 EGADLP Nc1cccc2c1cc[nH+]c2N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000663860452 461842635 /nfs/dbraw/zinc/84/26/35/461842635.db2.gz LREAGVUHHMQHBL-HDICACEKSA-N 2 2 344.462 3.385 20 0 EGADLP Nc1cccc2c1cc[nH+]c2N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000663860452 461842641 /nfs/dbraw/zinc/84/26/41/461842641.db2.gz LREAGVUHHMQHBL-HDICACEKSA-N 2 2 344.462 3.385 20 0 EGADLP CC[C@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000647814918 461849699 /nfs/dbraw/zinc/84/96/99/461849699.db2.gz KQXMOSRRWRARJM-SFHVURJKSA-N 2 2 349.906 3.124 20 0 EGADLP CC[C@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000647814918 461849705 /nfs/dbraw/zinc/84/97/05/461849705.db2.gz KQXMOSRRWRARJM-SFHVURJKSA-N 2 2 349.906 3.124 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647849187 461857633 /nfs/dbraw/zinc/85/76/33/461857633.db2.gz KJHCBUNJUJTFCG-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647849187 461857637 /nfs/dbraw/zinc/85/76/37/461857637.db2.gz KJHCBUNJUJTFCG-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC(C)([NH3+])CC3)cs2)cc1OC ZINC000647924297 461888432 /nfs/dbraw/zinc/88/84/32/461888432.db2.gz VTIGEDJAOKGSAF-UHFFFAOYSA-N 2 2 347.484 3.141 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)ccc2n1C1CC1 ZINC000670128615 461890667 /nfs/dbraw/zinc/89/06/67/461890667.db2.gz VMCSAQZZTLUPRM-GOSISDBHSA-N 2 2 340.471 3.034 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)ccc2n1C1CC1 ZINC000670128615 461890676 /nfs/dbraw/zinc/89/06/76/461890676.db2.gz VMCSAQZZTLUPRM-GOSISDBHSA-N 2 2 340.471 3.034 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000639374831 461893380 /nfs/dbraw/zinc/89/33/80/461893380.db2.gz LJGDGUWEUIWEEB-UHFFFAOYSA-N 2 2 341.499 3.029 20 0 EGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@H]1[NH3+] ZINC000647938996 461895579 /nfs/dbraw/zinc/89/55/79/461895579.db2.gz YRIGUDMCHUCDPR-WMLDXEAASA-N 2 2 328.460 3.419 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@H]1[NH3+] ZINC000647938996 461895585 /nfs/dbraw/zinc/89/55/85/461895585.db2.gz YRIGUDMCHUCDPR-WMLDXEAASA-N 2 2 328.460 3.419 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccc2ccccc2c1 ZINC000656785350 461895869 /nfs/dbraw/zinc/89/58/69/461895869.db2.gz GUVBMMAWXQMTED-JOCHJYFZSA-N 3 2 331.463 3.275 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647938343 461895980 /nfs/dbraw/zinc/89/59/80/461895980.db2.gz KGXIVXUWXVRQOP-KLZNWCGWSA-N 2 2 343.471 3.058 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647938343 461895987 /nfs/dbraw/zinc/89/59/87/461895987.db2.gz KGXIVXUWXVRQOP-KLZNWCGWSA-N 2 2 343.471 3.058 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940888 461897603 /nfs/dbraw/zinc/89/76/03/461897603.db2.gz HUGSUPYKVNVOCK-FOIQADDNSA-N 2 2 332.463 3.388 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940888 461897609 /nfs/dbraw/zinc/89/76/09/461897609.db2.gz HUGSUPYKVNVOCK-FOIQADDNSA-N 2 2 332.463 3.388 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000656789871 461899455 /nfs/dbraw/zinc/89/94/55/461899455.db2.gz BLFTVACGNMYADB-WOJBJXKFSA-N 2 2 341.430 3.019 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995129 461902714 /nfs/dbraw/zinc/90/27/14/461902714.db2.gz DQHVRSWCKMOHAD-HOJAQTOUSA-N 3 2 327.516 3.304 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995129 461902720 /nfs/dbraw/zinc/90/27/20/461902720.db2.gz DQHVRSWCKMOHAD-HOJAQTOUSA-N 3 2 327.516 3.304 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654814 461904582 /nfs/dbraw/zinc/90/45/82/461904582.db2.gz HKHWOQDTBCDEQX-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654814 461904588 /nfs/dbraw/zinc/90/45/88/461904588.db2.gz HKHWOQDTBCDEQX-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654814 461904594 /nfs/dbraw/zinc/90/45/94/461904594.db2.gz HKHWOQDTBCDEQX-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654814 461904598 /nfs/dbraw/zinc/90/45/98/461904598.db2.gz HKHWOQDTBCDEQX-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654854 461905657 /nfs/dbraw/zinc/90/56/57/461905657.db2.gz IJROGBNYFTVERJ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654854 461905664 /nfs/dbraw/zinc/90/56/64/461905664.db2.gz IJROGBNYFTVERJ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654854 461905674 /nfs/dbraw/zinc/90/56/74/461905674.db2.gz IJROGBNYFTVERJ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654854 461905677 /nfs/dbraw/zinc/90/56/77/461905677.db2.gz IJROGBNYFTVERJ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000639388404 461906165 /nfs/dbraw/zinc/90/61/65/461906165.db2.gz YZIIBPRRLPUPPR-YVVXQTMVSA-N 2 2 342.405 3.256 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000639388404 461906168 /nfs/dbraw/zinc/90/61/68/461906168.db2.gz YZIIBPRRLPUPPR-YVVXQTMVSA-N 2 2 342.405 3.256 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655149 461906349 /nfs/dbraw/zinc/90/63/49/461906349.db2.gz KOIODGXQJDNFEW-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655149 461906352 /nfs/dbraw/zinc/90/63/52/461906352.db2.gz KOIODGXQJDNFEW-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655149 461906357 /nfs/dbraw/zinc/90/63/57/461906357.db2.gz KOIODGXQJDNFEW-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655149 461906362 /nfs/dbraw/zinc/90/63/62/461906362.db2.gz KOIODGXQJDNFEW-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656981 461907058 /nfs/dbraw/zinc/90/70/58/461907058.db2.gz YZWXAPSSAWOVHU-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656981 461907064 /nfs/dbraw/zinc/90/70/64/461907064.db2.gz YZWXAPSSAWOVHU-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656981 461907071 /nfs/dbraw/zinc/90/70/71/461907071.db2.gz YZWXAPSSAWOVHU-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656981 461907075 /nfs/dbraw/zinc/90/70/75/461907075.db2.gz YZWXAPSSAWOVHU-KXBFYZLASA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656280 461908661 /nfs/dbraw/zinc/90/86/61/461908661.db2.gz TUCXTIYZYIRZBX-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656280 461908666 /nfs/dbraw/zinc/90/86/66/461908666.db2.gz TUCXTIYZYIRZBX-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656280 461908669 /nfs/dbraw/zinc/90/86/69/461908669.db2.gz TUCXTIYZYIRZBX-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656280 461908674 /nfs/dbraw/zinc/90/86/74/461908674.db2.gz TUCXTIYZYIRZBX-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000647970209 461913116 /nfs/dbraw/zinc/91/31/16/461913116.db2.gz HDVFXXHIPBYCKT-MRXNPFEDSA-N 2 2 344.421 3.375 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000647970209 461913121 /nfs/dbraw/zinc/91/31/21/461913121.db2.gz HDVFXXHIPBYCKT-MRXNPFEDSA-N 2 2 344.421 3.375 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751850 461932941 /nfs/dbraw/zinc/93/29/41/461932941.db2.gz CLPVYZNLZGQQHU-IIBYNOLFSA-N 3 2 341.474 3.285 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751850 461932946 /nfs/dbraw/zinc/93/29/46/461932946.db2.gz CLPVYZNLZGQQHU-IIBYNOLFSA-N 3 2 341.474 3.285 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667099565 461949467 /nfs/dbraw/zinc/94/94/67/461949467.db2.gz BDSAUWBQYNGQOE-KSSFIOAISA-N 2 2 338.411 3.090 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)CCO2 ZINC000648071489 461968327 /nfs/dbraw/zinc/96/83/27/461968327.db2.gz FHTBGKVJMRVTHD-UHFFFAOYSA-N 2 2 346.368 3.141 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)CCO2 ZINC000648071489 461968333 /nfs/dbraw/zinc/96/83/33/461968333.db2.gz FHTBGKVJMRVTHD-UHFFFAOYSA-N 2 2 346.368 3.141 20 0 EGADLP COc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)ccn1 ZINC000660856723 461997081 /nfs/dbraw/zinc/99/70/81/461997081.db2.gz UOYJTDUFGBXDCI-UHFFFAOYSA-N 2 2 336.439 3.421 20 0 EGADLP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccc1Oc1cccnc1 ZINC000657329371 462050954 /nfs/dbraw/zinc/05/09/54/462050954.db2.gz OWHIXRBBQVIOFZ-UHFFFAOYSA-N 2 2 338.386 3.446 20 0 EGADLP Clc1ccccc1N1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657374552 462079497 /nfs/dbraw/zinc/07/94/97/462079497.db2.gz NEOSBQRAMDISCM-CQSZACIVSA-N 2 2 330.863 3.241 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382405 462085748 /nfs/dbraw/zinc/08/57/48/462085748.db2.gz JVTXVMJBDSEDQG-PXNSSMCTSA-N 2 2 325.456 3.395 20 0 EGADLP C[C@H](CC[NH2+]Cc1ccnn1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC000657384026 462087055 /nfs/dbraw/zinc/08/70/55/462087055.db2.gz QPMAYJPOJMXEAO-QGZVFWFLSA-N 2 2 326.488 3.293 20 0 EGADLP C[C@H](CC[NH2+]Cc1ccnn1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000657384026 462087060 /nfs/dbraw/zinc/08/70/60/462087060.db2.gz QPMAYJPOJMXEAO-QGZVFWFLSA-N 2 2 326.488 3.293 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414568 462107854 /nfs/dbraw/zinc/10/78/54/462107854.db2.gz BSUWQIZXWVSUQN-IEBWSBKVSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414568 462107859 /nfs/dbraw/zinc/10/78/59/462107859.db2.gz BSUWQIZXWVSUQN-IEBWSBKVSA-N 3 2 338.499 3.220 20 0 EGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000667567014 462147065 /nfs/dbraw/zinc/14/70/65/462147065.db2.gz NNDYCFQEVUKTRO-FXAWDEMLSA-N 2 2 325.456 3.429 20 0 EGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000667567014 462147071 /nfs/dbraw/zinc/14/70/71/462147071.db2.gz NNDYCFQEVUKTRO-FXAWDEMLSA-N 2 2 325.456 3.429 20 0 EGADLP CC(C)c1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000667641978 462186451 /nfs/dbraw/zinc/18/64/51/462186451.db2.gz KPQXSFPMCVXFGR-UHFFFAOYSA-N 2 2 343.515 3.098 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CCC(C[NH+]4CCCCC4)CC3)c2c1C ZINC000645142709 462198717 /nfs/dbraw/zinc/19/87/17/462198717.db2.gz KGFLQJZNZKNUNU-UHFFFAOYSA-N 2 2 327.476 3.277 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H](CNc4cc(C)cc[nH+]4)C3)c2c1C ZINC000645147746 462202558 /nfs/dbraw/zinc/20/25/58/462202558.db2.gz SBKJEXWXGFQBJC-OAHLLOKOSA-N 2 2 336.443 3.217 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000667700071 462221720 /nfs/dbraw/zinc/22/17/20/462221720.db2.gz QRORTTWNCQNJBR-LSTHTHJFSA-N 2 2 341.455 3.134 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000667700071 462221727 /nfs/dbraw/zinc/22/17/27/462221727.db2.gz QRORTTWNCQNJBR-LSTHTHJFSA-N 2 2 341.455 3.134 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000667705288 462223974 /nfs/dbraw/zinc/22/39/74/462223974.db2.gz AJRPWEFELVAWEB-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000667705288 462223977 /nfs/dbraw/zinc/22/39/77/462223977.db2.gz AJRPWEFELVAWEB-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000667705288 462223983 /nfs/dbraw/zinc/22/39/83/462223983.db2.gz AJRPWEFELVAWEB-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000667705288 462223986 /nfs/dbraw/zinc/22/39/86/462223986.db2.gz AJRPWEFELVAWEB-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000657794340 462269547 /nfs/dbraw/zinc/26/95/47/462269547.db2.gz XWNTXHOHDREKLE-LJQANCHMSA-N 2 2 338.442 3.385 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657813731 462279192 /nfs/dbraw/zinc/27/91/92/462279192.db2.gz YRBRIQVWKDLQJL-XMSQKQJNSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657813731 462279198 /nfs/dbraw/zinc/27/91/98/462279198.db2.gz YRBRIQVWKDLQJL-XMSQKQJNSA-N 3 2 341.543 3.361 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824482 462284701 /nfs/dbraw/zinc/28/47/01/462284701.db2.gz JLDXGWZERUYSQC-ZFWWWQNUSA-N 2 2 327.419 3.027 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824482 462284706 /nfs/dbraw/zinc/28/47/06/462284706.db2.gz JLDXGWZERUYSQC-ZFWWWQNUSA-N 2 2 327.419 3.027 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000648884124 462318696 /nfs/dbraw/zinc/31/86/96/462318696.db2.gz SLKLNGUBLHOIEM-RHSMWYFYSA-N 2 2 325.412 3.461 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000648884124 462318700 /nfs/dbraw/zinc/31/87/00/462318700.db2.gz SLKLNGUBLHOIEM-RHSMWYFYSA-N 2 2 325.412 3.461 20 0 EGADLP Cc1cc(-c2ccc3[nH+]ccn3c2)ccc1OCC[NH+]1CCOCC1 ZINC000665141176 462325066 /nfs/dbraw/zinc/32/50/66/462325066.db2.gz YZBFGGIYMXSDDO-UHFFFAOYSA-N 2 2 337.423 3.021 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000651810854 462345472 /nfs/dbraw/zinc/34/54/72/462345472.db2.gz DLFKJGGUGMNTBL-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000651810854 462345480 /nfs/dbraw/zinc/34/54/80/462345480.db2.gz DLFKJGGUGMNTBL-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000651810854 462345489 /nfs/dbraw/zinc/34/54/89/462345489.db2.gz DLFKJGGUGMNTBL-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000651810854 462345499 /nfs/dbraw/zinc/34/54/99/462345499.db2.gz DLFKJGGUGMNTBL-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(CO)c1 ZINC000665253853 462370691 /nfs/dbraw/zinc/37/06/91/462370691.db2.gz BDRIRZWCGGFLDY-VHKYSDTDSA-N 2 2 328.431 3.114 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC3CCCCCC3)C2)CC1 ZINC000654775328 462379952 /nfs/dbraw/zinc/37/99/52/462379952.db2.gz JBIHOIINCWIYEQ-SFHVURJKSA-N 2 2 335.536 3.022 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC3CCCCCC3)C2)CC1 ZINC000654775328 462379956 /nfs/dbraw/zinc/37/99/56/462379956.db2.gz JBIHOIINCWIYEQ-SFHVURJKSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)[C@H]1CCCC[NH2+]1 ZINC000665293843 462388239 /nfs/dbraw/zinc/38/82/39/462388239.db2.gz DKVWNEASDIPTKR-LSTHTHJFSA-N 2 2 332.488 3.002 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000665294408 462388405 /nfs/dbraw/zinc/38/84/05/462388405.db2.gz OEHDJVIGTFYYOH-CVEARBPZSA-N 2 2 338.455 3.172 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)[C@@H]1CCC[NH2+]1 ZINC000665294780 462388447 /nfs/dbraw/zinc/38/84/47/462388447.db2.gz WNTLOSTZHZFYRT-AABGKKOBSA-N 2 2 332.488 3.002 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652139740 462447802 /nfs/dbraw/zinc/44/78/02/462447802.db2.gz SUSMEORWOFDYSR-ZFWWWQNUSA-N 2 2 333.432 3.038 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151541 462452320 /nfs/dbraw/zinc/45/23/20/462452320.db2.gz VSSLVLFSNFRLGZ-IAGOWNOFSA-N 2 2 348.487 3.237 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151541 462452325 /nfs/dbraw/zinc/45/23/25/462452325.db2.gz VSSLVLFSNFRLGZ-IAGOWNOFSA-N 2 2 348.487 3.237 20 0 EGADLP CSc1ccccc1C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293892 462460712 /nfs/dbraw/zinc/46/07/12/462460712.db2.gz JUDITLABHVAZKY-MAUKXSAKSA-N 2 2 334.529 3.182 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000665520620 462482344 /nfs/dbraw/zinc/48/23/44/462482344.db2.gz OLALBGGMCCHHKP-NCOADZHNSA-N 2 2 332.492 3.218 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000646048553 462502759 /nfs/dbraw/zinc/50/27/59/462502759.db2.gz XTTKXLIAJQZUSW-FQEVSTJZSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000646048553 462502761 /nfs/dbraw/zinc/50/27/61/462502761.db2.gz XTTKXLIAJQZUSW-FQEVSTJZSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCN(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000646048553 462502762 /nfs/dbraw/zinc/50/27/62/462502762.db2.gz XTTKXLIAJQZUSW-FQEVSTJZSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCN(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000646048553 462502764 /nfs/dbraw/zinc/50/27/64/462502764.db2.gz XTTKXLIAJQZUSW-FQEVSTJZSA-N 2 2 326.488 3.176 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@@H]1[NH3+] ZINC000649416730 462502965 /nfs/dbraw/zinc/50/29/65/462502965.db2.gz KAKZRUFPCUHEJI-BBRMVZONSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@@H]1[NH3+] ZINC000649416730 462502968 /nfs/dbraw/zinc/50/29/68/462502968.db2.gz KAKZRUFPCUHEJI-BBRMVZONSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(F)c1F ZINC000183308605 533811596 /nfs/dbraw/zinc/81/15/96/533811596.db2.gz QOPLJQHWVYWWFF-KKXDTOCCSA-N 2 2 338.442 3.383 20 0 EGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163682835 534498285 /nfs/dbraw/zinc/49/82/85/534498285.db2.gz DZDDRGYSXWWWGZ-NRFANRHFSA-N 2 2 340.442 3.435 20 0 EGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163682739 534498650 /nfs/dbraw/zinc/49/86/50/534498650.db2.gz DZDDRGYSXWWWGZ-OAQYLSRUSA-N 2 2 340.442 3.435 20 0 EGADLP Fc1cccc(Cl)c1CN1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000178312085 534522028 /nfs/dbraw/zinc/52/20/28/534522028.db2.gz XUFCRZCVEFPUCY-UHFFFAOYSA-N 2 2 339.886 3.129 20 0 EGADLP CC(C)c1ccc(C2(O)CCC([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000131057870 528080842 /nfs/dbraw/zinc/08/08/42/528080842.db2.gz SPGXDQNGANBFPV-UHFFFAOYSA-N 2 2 327.472 3.427 20 0 EGADLP CC[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878036 529173177 /nfs/dbraw/zinc/17/31/77/529173177.db2.gz DBEDVMDWDGAYTJ-MOPGFXCFSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878036 529173181 /nfs/dbraw/zinc/17/31/81/529173181.db2.gz DBEDVMDWDGAYTJ-MOPGFXCFSA-N 2 2 326.488 3.371 20 0 EGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccsc3Cl)CC2)CC1 ZINC000361576045 535197391 /nfs/dbraw/zinc/19/73/91/535197391.db2.gz FDZBIEXIVHTLCD-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP CC1CC[NH+](CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000354588726 535276165 /nfs/dbraw/zinc/27/61/65/535276165.db2.gz AMPACLHXAJKHDW-UHFFFAOYSA-N 2 2 340.471 3.433 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000351880747 535518612 /nfs/dbraw/zinc/51/86/12/535518612.db2.gz SQAOGZVGCWVNPG-MRXNPFEDSA-N 2 2 344.503 3.362 20 0 EGADLP Cc1cccn2cc(CN3CC[NH+](CCc4ccccc4)CC3)[nH+]c12 ZINC000058452625 546559397 /nfs/dbraw/zinc/55/93/97/546559397.db2.gz TZAAXGFYETWQBA-UHFFFAOYSA-N 2 2 334.467 3.003 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc([S@](C)=O)cc2)n1-c1ccccc1 ZINC000084051352 546617559 /nfs/dbraw/zinc/61/75/59/546617559.db2.gz KPOBCWMZUZLOEF-XMMPIXPASA-N 2 2 339.464 3.208 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000090403392 546655955 /nfs/dbraw/zinc/65/59/55/546655955.db2.gz LRFBXDOQCIAZGJ-AWEZNQCLSA-N 2 2 331.485 3.135 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000120624337 546716392 /nfs/dbraw/zinc/71/63/92/546716392.db2.gz CMBUSFKJQLLNJC-LJQANCHMSA-N 2 2 330.520 3.092 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000120624337 546716395 /nfs/dbraw/zinc/71/63/95/546716395.db2.gz CMBUSFKJQLLNJC-LJQANCHMSA-N 2 2 330.520 3.092 20 0 EGADLP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Nc1ccc(F)cc1 ZINC000126228740 546758389 /nfs/dbraw/zinc/75/83/89/546758389.db2.gz DFELPDLOCBDOMU-UHFFFAOYSA-N 2 2 333.451 3.151 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000163651042 546973214 /nfs/dbraw/zinc/97/32/14/546973214.db2.gz HKUROEUIQHJHAE-KRWDZBQOSA-N 2 2 338.879 3.254 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3Cl)C[C@@H]12 ZINC000261557971 547324400 /nfs/dbraw/zinc/32/44/00/547324400.db2.gz CYCKDFDDGCUASW-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3Cl)C[C@@H]12 ZINC000261557971 547324405 /nfs/dbraw/zinc/32/44/05/547324405.db2.gz CYCKDFDDGCUASW-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602785 /nfs/dbraw/zinc/60/27/85/547602785.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602787 /nfs/dbraw/zinc/60/27/87/547602787.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602788 /nfs/dbraw/zinc/60/27/88/547602788.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000343468115 547602790 /nfs/dbraw/zinc/60/27/90/547602790.db2.gz HDHXPQRDRFHNDK-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP C[C@@](CO)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000361736166 547765397 /nfs/dbraw/zinc/76/53/97/547765397.db2.gz UZRFOKAWYZWKNQ-IBGZPJMESA-N 2 2 341.480 3.265 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)CC[NH2+]C)c1 ZINC000415291481 547864453 /nfs/dbraw/zinc/86/44/53/547864453.db2.gz GYWSOXFEBMFPID-UHFFFAOYSA-N 2 2 329.448 3.033 20 0 EGADLP Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302445 548275555 /nfs/dbraw/zinc/27/55/55/548275555.db2.gz XDTREJDMSKEZBL-AWEZNQCLSA-N 2 2 328.460 3.042 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671742558 548349745 /nfs/dbraw/zinc/34/97/45/548349745.db2.gz YOZBAUJNZLGPNX-CQSZACIVSA-N 2 2 325.412 3.316 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671742558 548349749 /nfs/dbraw/zinc/34/97/49/548349749.db2.gz YOZBAUJNZLGPNX-CQSZACIVSA-N 2 2 325.412 3.316 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671745765 548351153 /nfs/dbraw/zinc/35/11/53/548351153.db2.gz ZKNANCRQLLVYIP-ZDUSSCGKSA-N 2 2 326.400 3.471 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc4[nH]c(=O)oc4c3)[nH+]c12 ZINC000671749644 548352462 /nfs/dbraw/zinc/35/24/62/548352462.db2.gz BHHRIPIVENARAQ-CYBMUJFWSA-N 2 2 336.395 3.383 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000674881901 548820334 /nfs/dbraw/zinc/82/03/34/548820334.db2.gz WEFRPIIKMMPTQE-WIYYLYMNSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000674881901 548820336 /nfs/dbraw/zinc/82/03/36/548820336.db2.gz WEFRPIIKMMPTQE-WIYYLYMNSA-N 2 2 348.494 3.295 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCCO2 ZINC000675881146 548995760 /nfs/dbraw/zinc/99/57/60/548995760.db2.gz JYKBEBJPJTZDCW-IEBWSBKVSA-N 2 2 348.462 3.272 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000675887575 548997457 /nfs/dbraw/zinc/99/74/57/548997457.db2.gz AZVSBRVKQUBPME-OAHLLOKOSA-N 2 2 341.390 3.218 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000675887575 548997462 /nfs/dbraw/zinc/99/74/62/548997462.db2.gz AZVSBRVKQUBPME-OAHLLOKOSA-N 2 2 341.390 3.218 20 0 EGADLP CN(C(=O)CC1CCC(C)(C)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676883471 549172289 /nfs/dbraw/zinc/17/22/89/549172289.db2.gz PHGALKNUGCZSCO-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)CC1CCC(C)(C)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676883471 549172292 /nfs/dbraw/zinc/17/22/92/549172292.db2.gz PHGALKNUGCZSCO-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCCc1cnn(C)c1 ZINC000677380375 549261333 /nfs/dbraw/zinc/26/13/33/549261333.db2.gz ZDCOSTFDIQNCAS-SFHVURJKSA-N 2 2 337.471 3.175 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCc1cnn(C)c1 ZINC000677380375 549261336 /nfs/dbraw/zinc/26/13/36/549261336.db2.gz ZDCOSTFDIQNCAS-SFHVURJKSA-N 2 2 337.471 3.175 20 0 EGADLP COc1ccc(-c2cc(C[N@H+](C)CCC[NH+]3CCCC3)on2)cc1 ZINC000677696531 549311770 /nfs/dbraw/zinc/31/17/70/549311770.db2.gz ISPLZXNBYWGZOL-UHFFFAOYSA-N 2 2 329.444 3.268 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+](C)CCC[NH+]3CCCC3)on2)cc1 ZINC000677696531 549311774 /nfs/dbraw/zinc/31/17/74/549311774.db2.gz ISPLZXNBYWGZOL-UHFFFAOYSA-N 2 2 329.444 3.268 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCc3ccc(O)cc3CC2)n1-c1ccccc1 ZINC000678221542 549428733 /nfs/dbraw/zinc/42/87/33/549428733.db2.gz OHXOLPNCQFLFJC-UHFFFAOYSA-N 2 2 333.435 3.487 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCc3ccc(O)cc3CC2)n1-c1ccccc1 ZINC000678221542 549428736 /nfs/dbraw/zinc/42/87/36/549428736.db2.gz OHXOLPNCQFLFJC-UHFFFAOYSA-N 2 2 333.435 3.487 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000678234469 549435893 /nfs/dbraw/zinc/43/58/93/549435893.db2.gz FWSZMYGJNNFKKQ-YOEHRIQHSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000678234469 549435895 /nfs/dbraw/zinc/43/58/95/549435895.db2.gz FWSZMYGJNNFKKQ-YOEHRIQHSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000678339733 549472881 /nfs/dbraw/zinc/47/28/81/549472881.db2.gz NVHNWQFGKWRBJR-QFBILLFUSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000678339733 549472884 /nfs/dbraw/zinc/47/28/84/549472884.db2.gz NVHNWQFGKWRBJR-QFBILLFUSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000678339733 549472889 /nfs/dbraw/zinc/47/28/89/549472889.db2.gz NVHNWQFGKWRBJR-QFBILLFUSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000678339733 549472893 /nfs/dbraw/zinc/47/28/93/549472893.db2.gz NVHNWQFGKWRBJR-QFBILLFUSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000678339729 549473159 /nfs/dbraw/zinc/47/31/59/549473159.db2.gz NVHNWQFGKWRBJR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000678339729 549473163 /nfs/dbraw/zinc/47/31/63/549473163.db2.gz NVHNWQFGKWRBJR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000678339729 549473165 /nfs/dbraw/zinc/47/31/65/549473165.db2.gz NVHNWQFGKWRBJR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000678339729 549473170 /nfs/dbraw/zinc/47/31/70/549473170.db2.gz NVHNWQFGKWRBJR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)s1 ZINC000678599191 549528143 /nfs/dbraw/zinc/52/81/43/549528143.db2.gz WTLPPUPDXJYOIC-VUCTXSBTSA-N 2 2 337.533 3.178 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)c2ccccc12)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721228 549768366 /nfs/dbraw/zinc/76/83/66/549768366.db2.gz IMDJRYXGBDTQFP-HOTGVXAUSA-N 2 2 326.488 3.316 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)c2ccccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721228 549768369 /nfs/dbraw/zinc/76/83/69/549768369.db2.gz IMDJRYXGBDTQFP-HOTGVXAUSA-N 2 2 326.488 3.316 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000680255503 549839183 /nfs/dbraw/zinc/83/91/83/549839183.db2.gz GLCSRYGJNPMUBC-SFHVURJKSA-N 2 2 338.455 3.141 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000680255503 549839185 /nfs/dbraw/zinc/83/91/85/549839185.db2.gz GLCSRYGJNPMUBC-SFHVURJKSA-N 2 2 338.455 3.141 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000682084090 550071662 /nfs/dbraw/zinc/07/16/62/550071662.db2.gz ZRBHDLFLVIZGQJ-INIZCTEOSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000682084090 550071664 /nfs/dbraw/zinc/07/16/64/550071664.db2.gz ZRBHDLFLVIZGQJ-INIZCTEOSA-N 2 2 325.391 3.045 20 0 EGADLP Brc1cscc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000685408247 550413213 /nfs/dbraw/zinc/41/32/13/550413213.db2.gz SWQPEBDGHPVDCV-UHFFFAOYSA-N 2 2 338.274 3.228 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000685876316 550450949 /nfs/dbraw/zinc/45/09/49/550450949.db2.gz KRKQSRPVKASTHR-IAGOWNOFSA-N 2 2 332.492 3.221 20 0 EGADLP C[NH+](C)[C@H](CNc1nc(N2CCCC2)cc[nH+]1)c1ccccc1Cl ZINC000733185913 575317908 /nfs/dbraw/zinc/31/79/08/575317908.db2.gz ZZJBARWJKJCJIC-MRXNPFEDSA-N 2 2 345.878 3.445 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000738429754 576324963 /nfs/dbraw/zinc/32/49/63/576324963.db2.gz GXUNNIHSQFZRKV-INIZCTEOSA-N 2 2 348.491 3.263 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855656 576817179 /nfs/dbraw/zinc/81/71/79/576817179.db2.gz VJIMICBXJLCHQL-UYAOXDASSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855656 576817180 /nfs/dbraw/zinc/81/71/80/576817180.db2.gz VJIMICBXJLCHQL-UYAOXDASSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([NH+](C)CC[C@H]3CCCC[N@@H+]3C)C2=O)cc1 ZINC000743855656 576817181 /nfs/dbraw/zinc/81/71/81/576817181.db2.gz VJIMICBXJLCHQL-UYAOXDASSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([NH+](C)CC[C@H]3CCCC[N@H+]3C)C2=O)cc1 ZINC000743855656 576817182 /nfs/dbraw/zinc/81/71/82/576817182.db2.gz VJIMICBXJLCHQL-UYAOXDASSA-N 2 2 343.515 3.297 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000743862911 576817462 /nfs/dbraw/zinc/81/74/62/576817462.db2.gz MUOOGICZTXOAKN-CQSZACIVSA-N 2 2 349.910 3.094 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000743862911 576817463 /nfs/dbraw/zinc/81/74/63/576817463.db2.gz MUOOGICZTXOAKN-CQSZACIVSA-N 2 2 349.910 3.094 20 0 EGADLP COc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399206045 1297725787 /nfs/dbraw/zinc/72/57/87/1297725787.db2.gz SEBGRADWVGVWHU-SFHVURJKSA-N 2 2 331.485 3.154 20 0 EGADLP COc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399206045 1297725797 /nfs/dbraw/zinc/72/57/97/1297725797.db2.gz SEBGRADWVGVWHU-SFHVURJKSA-N 2 2 331.485 3.154 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733552 1298150716 /nfs/dbraw/zinc/15/07/16/1298150716.db2.gz AKYSXEMJIJOQDU-BVJIBDCISA-N 3 2 341.543 3.406 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733552 1298150719 /nfs/dbraw/zinc/15/07/19/1298150719.db2.gz AKYSXEMJIJOQDU-BVJIBDCISA-N 3 2 341.543 3.406 20 0 EGADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)c(-c2ccccc2)cc1OC ZINC000067666693 1292166450 /nfs/dbraw/zinc/16/64/50/1292166450.db2.gz PJYBFCJXDFJQQU-UHFFFAOYSA-N 2 2 337.423 3.357 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3F)c2)CCO1 ZINC000067976691 1292179942 /nfs/dbraw/zinc/17/99/42/1292179942.db2.gz GHTPZKWGCDAETM-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3F)c2)CCO1 ZINC000067976691 1292179948 /nfs/dbraw/zinc/17/99/48/1292179948.db2.gz GHTPZKWGCDAETM-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP COc1ccccc1OCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545169 1292966907 /nfs/dbraw/zinc/96/69/07/1292966907.db2.gz WFAKUNCDDYIDFM-UHFFFAOYSA-N 2 2 337.423 3.392 20 0 EGADLP COc1ccccc1OCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101545169 1292966914 /nfs/dbraw/zinc/96/69/14/1292966914.db2.gz WFAKUNCDDYIDFM-UHFFFAOYSA-N 2 2 337.423 3.392 20 0 EGADLP O=C(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Cl)cc1 ZINC000139832847 1293846310 /nfs/dbraw/zinc/84/63/10/1293846310.db2.gz XVUUKVCAHKXOCD-UHFFFAOYSA-N 2 2 340.814 3.254 20 0 EGADLP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163839695 1294339089 /nfs/dbraw/zinc/33/90/89/1294339089.db2.gz QFHLKWMXOOSPJA-JXFKEZNVSA-N 2 2 333.520 3.108 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166546891 1294362327 /nfs/dbraw/zinc/36/23/27/1294362327.db2.gz TZQGNSPAGZMXKU-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CC[C@@H]1[NH3+] ZINC000166546891 1294362332 /nfs/dbraw/zinc/36/23/32/1294362332.db2.gz TZQGNSPAGZMXKU-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000178427869 1294733334 /nfs/dbraw/zinc/73/33/34/1294733334.db2.gz SAAJVLVVIYQRJB-QGZVFWFLSA-N 2 2 343.471 3.152 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000178427869 1294733345 /nfs/dbraw/zinc/73/33/45/1294733345.db2.gz SAAJVLVVIYQRJB-QGZVFWFLSA-N 2 2 343.471 3.152 20 0 EGADLP Clc1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000182960138 1295089261 /nfs/dbraw/zinc/08/92/61/1295089261.db2.gz XFQSSQRWRXRDDA-UHFFFAOYSA-N 2 2 343.924 3.121 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185320863 1295256305 /nfs/dbraw/zinc/25/63/05/1295256305.db2.gz GTYCJYZVOJQJRR-CYBMUJFWSA-N 2 2 348.834 3.436 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000185320863 1295256312 /nfs/dbraw/zinc/25/63/12/1295256312.db2.gz GTYCJYZVOJQJRR-CYBMUJFWSA-N 2 2 348.834 3.436 20 0 EGADLP CC[N@H+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1 ZINC000871795102 1296536544 /nfs/dbraw/zinc/53/65/44/1296536544.db2.gz KHZJRRYVFHYJEK-HMQMGEFJSA-N 2 2 326.444 3.109 20 0 EGADLP CC[N@@H+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1 ZINC000871795102 1296536549 /nfs/dbraw/zinc/53/65/49/1296536549.db2.gz KHZJRRYVFHYJEK-HMQMGEFJSA-N 2 2 326.444 3.109 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(O)c1F ZINC000872025235 1296670168 /nfs/dbraw/zinc/67/01/68/1296670168.db2.gz ISZHGGXGKMXDEP-OAHLLOKOSA-N 2 2 344.430 3.214 20 0 EGADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000301516101 1296789293 /nfs/dbraw/zinc/78/92/93/1296789293.db2.gz SFNZZAZDWAYJJO-ZACQAIPSSA-N 2 2 341.540 3.484 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000382906552 1297566925 /nfs/dbraw/zinc/56/69/25/1297566925.db2.gz ODYOCDIGYJJULT-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000389187686 1297607526 /nfs/dbraw/zinc/60/75/26/1297607526.db2.gz SVPNMILRZRYVJD-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000389187686 1297607531 /nfs/dbraw/zinc/60/75/31/1297607531.db2.gz SVPNMILRZRYVJD-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1Cl ZINC000708551676 1298243565 /nfs/dbraw/zinc/24/35/65/1298243565.db2.gz RFBFCNKDHFIWHM-YOEHRIQHSA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1Cl ZINC000708551676 1298243575 /nfs/dbraw/zinc/24/35/75/1298243575.db2.gz RFBFCNKDHFIWHM-YOEHRIQHSA-N 2 2 346.906 3.240 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651001 1298630935 /nfs/dbraw/zinc/63/09/35/1298630935.db2.gz GZFVLFLGGVGFPK-CJNGLKHVSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651001 1298630938 /nfs/dbraw/zinc/63/09/38/1298630938.db2.gz GZFVLFLGGVGFPK-CJNGLKHVSA-N 2 2 330.394 3.155 20 0 EGADLP CC(C)CCCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000747907797 1298887088 /nfs/dbraw/zinc/88/70/88/1298887088.db2.gz MDVPOFXSPSQRDW-UHFFFAOYSA-N 2 2 325.541 3.077 20 0 EGADLP CC(C)CCCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000747907797 1298887096 /nfs/dbraw/zinc/88/70/96/1298887096.db2.gz MDVPOFXSPSQRDW-UHFFFAOYSA-N 2 2 325.541 3.077 20 0 EGADLP Nc1c(Cl)cccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000876943486 1299080133 /nfs/dbraw/zinc/08/01/33/1299080133.db2.gz DLRKUHAJIYHQHN-UHFFFAOYSA-N 2 2 345.874 3.044 20 0 EGADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000876988297 1299102784 /nfs/dbraw/zinc/10/27/84/1299102784.db2.gz BIOYRTLGFNCFMJ-MRXNPFEDSA-N 2 2 330.863 3.132 20 0 EGADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000876988297 1299102788 /nfs/dbraw/zinc/10/27/88/1299102788.db2.gz BIOYRTLGFNCFMJ-MRXNPFEDSA-N 2 2 330.863 3.132 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877056507 1299136247 /nfs/dbraw/zinc/13/62/47/1299136247.db2.gz SXGLHIKQCIIDCQ-YIGJPRQDSA-N 2 2 348.556 3.491 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877056507 1299136253 /nfs/dbraw/zinc/13/62/53/1299136253.db2.gz SXGLHIKQCIIDCQ-YIGJPRQDSA-N 2 2 348.556 3.491 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(Cl)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168410 1299190995 /nfs/dbraw/zinc/19/09/95/1299190995.db2.gz SZHDPBDWFYKKOS-ZBFHGGJFSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(Cl)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168410 1299190998 /nfs/dbraw/zinc/19/09/98/1299190998.db2.gz SZHDPBDWFYKKOS-ZBFHGGJFSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877523333 1299366489 /nfs/dbraw/zinc/36/64/89/1299366489.db2.gz IIRRGCQQNFPEJM-MWDXBVQZSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000880004856 1300844031 /nfs/dbraw/zinc/84/40/31/1300844031.db2.gz ZOUQAZQIQZCXFU-QGZVFWFLSA-N 2 2 342.405 3.293 20 0 EGADLP c1ccc(NC2CC[NH+](Cc3cccc4nsnc43)CC2)[nH+]c1 ZINC000761121674 1301405824 /nfs/dbraw/zinc/40/58/24/1301405824.db2.gz XRYOIGOXZGRKKU-UHFFFAOYSA-N 2 2 325.441 3.163 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000762925004 1301785435 /nfs/dbraw/zinc/78/54/35/1301785435.db2.gz APUOQVUAFMEZIF-UHFFFAOYSA-N 2 2 342.487 3.333 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000762925004 1301785441 /nfs/dbraw/zinc/78/54/41/1301785441.db2.gz APUOQVUAFMEZIF-UHFFFAOYSA-N 2 2 342.487 3.333 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000765973766 1302361414 /nfs/dbraw/zinc/36/14/14/1302361414.db2.gz FNPPAOOABHSMDO-PBHICJAKSA-N 2 2 336.451 3.128 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)[C@H]1C ZINC000883388608 1302427904 /nfs/dbraw/zinc/42/79/04/1302427904.db2.gz YQYLWOZHYCAFJC-DSLXNQLJSA-N 2 2 341.455 3.192 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC[NH+]1CCCCCC1)NC(=O)OC(C)(C)C ZINC000769681482 1303157458 /nfs/dbraw/zinc/15/74/58/1303157458.db2.gz POWWQFNZTXTPKR-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)[nH+]c1C ZINC000886672780 1303551113 /nfs/dbraw/zinc/55/11/13/1303551113.db2.gz VDLPVGINEGOYIL-XCRHUMRWSA-N 2 2 346.519 3.289 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867885 1303619436 /nfs/dbraw/zinc/61/94/36/1303619436.db2.gz PUIJJMGSCPLJOL-KXBFYZLASA-N 2 2 326.444 3.263 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867885 1303619442 /nfs/dbraw/zinc/61/94/42/1303619442.db2.gz PUIJJMGSCPLJOL-KXBFYZLASA-N 2 2 326.444 3.263 20 0 EGADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC000775438122 1303964139 /nfs/dbraw/zinc/96/41/39/1303964139.db2.gz AIRUWJKUZGIZAI-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888575875 1304202541 /nfs/dbraw/zinc/20/25/41/1304202541.db2.gz ASBQSOYRQNVMNO-HNNXBMFYSA-N 2 2 341.459 3.421 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cn1 ZINC000779402444 1304567189 /nfs/dbraw/zinc/56/71/89/1304567189.db2.gz BIROGQOYLAWCDD-MJGOQNOKSA-N 2 2 335.467 3.151 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178051 1304926217 /nfs/dbraw/zinc/92/62/17/1304926217.db2.gz ZFQWSSGIQKFEBG-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178051 1304926221 /nfs/dbraw/zinc/92/62/21/1304926221.db2.gz ZFQWSSGIQKFEBG-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178051 1304926223 /nfs/dbraw/zinc/92/62/23/1304926223.db2.gz ZFQWSSGIQKFEBG-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178051 1304926225 /nfs/dbraw/zinc/92/62/25/1304926225.db2.gz ZFQWSSGIQKFEBG-IEBWSBKVSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178053 1304926300 /nfs/dbraw/zinc/92/63/00/1304926300.db2.gz ZFQWSSGIQKFEBG-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178053 1304926304 /nfs/dbraw/zinc/92/63/04/1304926304.db2.gz ZFQWSSGIQKFEBG-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178053 1304926311 /nfs/dbraw/zinc/92/63/11/1304926311.db2.gz ZFQWSSGIQKFEBG-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178053 1304926315 /nfs/dbraw/zinc/92/63/15/1304926315.db2.gz ZFQWSSGIQKFEBG-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943566 1305026260 /nfs/dbraw/zinc/02/62/60/1305026260.db2.gz VIGNMNHZAVRHMY-MOPGFXCFSA-N 2 2 344.503 3.124 20 0 EGADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccc(F)c1 ZINC000783031807 1305039020 /nfs/dbraw/zinc/03/90/20/1305039020.db2.gz STSDUMMBEBOQAA-IBGZPJMESA-N 2 2 331.435 3.248 20 0 EGADLP CC(C)CC[NH+](CCC(C)C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783973094 1305169502 /nfs/dbraw/zinc/16/95/02/1305169502.db2.gz NYZXVQWJTANREY-QGZVFWFLSA-N 2 2 334.508 3.088 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnn(C)c3C3CC3)C2)CC1 ZINC000891823698 1305179013 /nfs/dbraw/zinc/17/90/13/1305179013.db2.gz ZJAVYUXOJNGIOX-QGZVFWFLSA-N 2 2 330.520 3.241 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnn(C)c3C3CC3)C2)CC1 ZINC000891823698 1305179019 /nfs/dbraw/zinc/17/90/19/1305179019.db2.gz ZJAVYUXOJNGIOX-QGZVFWFLSA-N 2 2 330.520 3.241 20 0 EGADLP CCc1onc(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000892677344 1305501786 /nfs/dbraw/zinc/50/17/86/1305501786.db2.gz ZVBINCXGKILQOL-HNNXBMFYSA-N 2 2 343.471 3.056 20 0 EGADLP CCc1onc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000892677344 1305501792 /nfs/dbraw/zinc/50/17/92/1305501792.db2.gz ZVBINCXGKILQOL-HNNXBMFYSA-N 2 2 343.471 3.056 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C(C)(C)C ZINC000786912652 1305654441 /nfs/dbraw/zinc/65/44/41/1305654441.db2.gz SULAWWUDZDZEIM-YJBOKZPZSA-N 2 2 348.535 3.241 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1 ZINC000893079584 1305695534 /nfs/dbraw/zinc/69/55/34/1305695534.db2.gz KAHRVASLJHLBDK-GOSISDBHSA-N 2 2 335.455 3.105 20 0 EGADLP CCOC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000788984326 1306057320 /nfs/dbraw/zinc/05/73/20/1306057320.db2.gz KRWFHONXOKMJDC-FQEVSTJZSA-N 2 2 333.520 3.372 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095444 1306216414 /nfs/dbraw/zinc/21/64/14/1306216414.db2.gz QUWJIFHCMIVPGG-QUCCMNQESA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095444 1306216422 /nfs/dbraw/zinc/21/64/22/1306216422.db2.gz QUWJIFHCMIVPGG-QUCCMNQESA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095444 1306216429 /nfs/dbraw/zinc/21/64/29/1306216429.db2.gz QUWJIFHCMIVPGG-QUCCMNQESA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095444 1306216438 /nfs/dbraw/zinc/21/64/38/1306216438.db2.gz QUWJIFHCMIVPGG-QUCCMNQESA-N 2 2 338.499 3.486 20 0 EGADLP COc1cc(C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000895707298 1309477840 /nfs/dbraw/zinc/47/78/40/1309477840.db2.gz QAHWAPFGCBXZAJ-APWZRJJASA-N 2 2 336.439 3.249 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@@H+]1C ZINC000796310710 1309962964 /nfs/dbraw/zinc/96/29/64/1309962964.db2.gz BUPMIUZVKYLVQZ-PWSUYJOCSA-N 2 2 327.259 3.213 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@H+]1C ZINC000796310710 1309962968 /nfs/dbraw/zinc/96/29/68/1309962968.db2.gz BUPMIUZVKYLVQZ-PWSUYJOCSA-N 2 2 327.259 3.213 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)c(C)c1OC ZINC000796703110 1310066971 /nfs/dbraw/zinc/06/69/71/1310066971.db2.gz ROODUZLSOGAXMF-HZPDHXFCSA-N 2 2 334.504 3.407 20 0 EGADLP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)C2)c(F)c1 ZINC000897227815 1310231125 /nfs/dbraw/zinc/23/11/25/1310231125.db2.gz HLGOICDANAOWQO-PUJMQQBBSA-N 2 2 336.426 3.054 20 0 EGADLP Fc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)C2)c(F)c1 ZINC000897227815 1310231133 /nfs/dbraw/zinc/23/11/33/1310231133.db2.gz HLGOICDANAOWQO-PUJMQQBBSA-N 2 2 336.426 3.054 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)ccc21 ZINC000897875788 1310501404 /nfs/dbraw/zinc/50/14/04/1310501404.db2.gz HZQDSNKRBMKFOT-INIZCTEOSA-N 2 2 326.444 3.112 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000897875788 1310501406 /nfs/dbraw/zinc/50/14/06/1310501406.db2.gz HZQDSNKRBMKFOT-INIZCTEOSA-N 2 2 326.444 3.112 20 0 EGADLP O=C(c1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1)N1CCCC1 ZINC000897978391 1310536880 /nfs/dbraw/zinc/53/68/80/1310536880.db2.gz OLHCHBFHUJTOAR-UHFFFAOYSA-N 2 2 341.499 3.029 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCC2CCC(F)(F)CC2)CC1 ZINC000898031859 1310556533 /nfs/dbraw/zinc/55/65/33/1310556533.db2.gz QIZBEKDMLRVUMG-UHFFFAOYSA-N 2 2 346.462 3.209 20 0 EGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929321082 1328567213 /nfs/dbraw/zinc/56/72/13/1328567213.db2.gz FTYNAEBMWMYDQP-QGZVFWFLSA-N 2 2 338.411 3.113 20 0 EGADLP Cc1[nH]c(C2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1C ZINC000899505969 1317060267 /nfs/dbraw/zinc/06/02/67/1317060267.db2.gz SEZGUQPZQCMCQD-SFHVURJKSA-N 2 2 340.471 3.035 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000957337169 1317291953 /nfs/dbraw/zinc/29/19/53/1317291953.db2.gz LVGHHTWUWWPNIC-DLBZAZTESA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957557700 1317454081 /nfs/dbraw/zinc/45/40/81/1317454081.db2.gz CUDMGSLBZGZQGT-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957557700 1317454085 /nfs/dbraw/zinc/45/40/85/1317454085.db2.gz CUDMGSLBZGZQGT-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000957652912 1317525168 /nfs/dbraw/zinc/52/51/68/1317525168.db2.gz VHLKEKFRHAKVQI-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@@H]([NH2+]Cc4ccccc4C)C3)ccn12 ZINC001020153667 1317565942 /nfs/dbraw/zinc/56/59/42/1317565942.db2.gz UURMHXNYROIHBI-WGSAOQKQSA-N 2 2 348.450 3.002 20 0 EGADLP COc1ccc([C@@H](C)[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000902430596 1317577372 /nfs/dbraw/zinc/57/73/72/1317577372.db2.gz CMAQQRPYFHFMCK-WPSKPGTISA-N 2 2 340.467 3.410 20 0 EGADLP c1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)nc1 ZINC000903058676 1317644388 /nfs/dbraw/zinc/64/43/88/1317644388.db2.gz JGYFLQGGLXAFDE-OAQYLSRUSA-N 2 2 337.467 3.155 20 0 EGADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001020388716 1317675839 /nfs/dbraw/zinc/67/58/39/1317675839.db2.gz IFICDJOEZCYIPM-KZNAEPCWSA-N 2 2 348.450 3.336 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)c1 ZINC001020413728 1317686608 /nfs/dbraw/zinc/68/66/08/1317686608.db2.gz IBFPZAPUVDZFDC-WGSAOQKQSA-N 2 2 337.467 3.366 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000903421222 1317698881 /nfs/dbraw/zinc/69/88/81/1317698881.db2.gz FUVJLQWETVJBLW-VQIMIIECSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000903421222 1317698884 /nfs/dbraw/zinc/69/88/84/1317698884.db2.gz FUVJLQWETVJBLW-VQIMIIECSA-N 2 2 349.482 3.038 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000904317902 1317830421 /nfs/dbraw/zinc/83/04/21/1317830421.db2.gz JPEBCIQODFHOBW-HZPDHXFCSA-N 2 2 325.541 3.014 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000904317902 1317830427 /nfs/dbraw/zinc/83/04/27/1317830427.db2.gz JPEBCIQODFHOBW-HZPDHXFCSA-N 2 2 325.541 3.014 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904338298 1317833189 /nfs/dbraw/zinc/83/31/89/1317833189.db2.gz QPCKFOKUGGJLFX-SFHVURJKSA-N 2 2 333.520 3.364 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904338298 1317833198 /nfs/dbraw/zinc/83/31/98/1317833198.db2.gz QPCKFOKUGGJLFX-SFHVURJKSA-N 2 2 333.520 3.364 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000904346597 1317834011 /nfs/dbraw/zinc/83/40/11/1317834011.db2.gz UUESWVPADQAOMO-ROUUACIJSA-N 2 2 349.563 3.255 20 0 EGADLP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000905180389 1317932535 /nfs/dbraw/zinc/93/25/35/1317932535.db2.gz PSRFLFHJEFUAFC-UTKZUKDTSA-N 2 2 339.483 3.239 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(C)C)ccn12 ZINC001021257566 1318161822 /nfs/dbraw/zinc/16/18/22/1318161822.db2.gz INPMDEDOAUKWPC-AYHJJNSGSA-N 2 2 340.471 3.024 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(C)C)ccn12 ZINC001021257566 1318161823 /nfs/dbraw/zinc/16/18/23/1318161823.db2.gz INPMDEDOAUKWPC-AYHJJNSGSA-N 2 2 340.471 3.024 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)cc2)c1C ZINC000908325106 1318327881 /nfs/dbraw/zinc/32/78/81/1318327881.db2.gz XFFZDGDOUBQKRJ-IEBWSBKVSA-N 2 2 338.455 3.445 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)cc2)c1C ZINC000908325106 1318327887 /nfs/dbraw/zinc/32/78/87/1318327887.db2.gz XFFZDGDOUBQKRJ-IEBWSBKVSA-N 2 2 338.455 3.445 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575938 1318422339 /nfs/dbraw/zinc/42/23/39/1318422339.db2.gz PHZZHZGQTFJZIB-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575938 1318422341 /nfs/dbraw/zinc/42/23/41/1318422341.db2.gz PHZZHZGQTFJZIB-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000960266417 1318435817 /nfs/dbraw/zinc/43/58/17/1318435817.db2.gz FFOCMMOEVQXRBV-UYAOXDASSA-N 2 2 348.450 3.038 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590165 1318719772 /nfs/dbraw/zinc/71/97/72/1318719772.db2.gz JYUPQGVMMIFOEF-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590165 1318719780 /nfs/dbraw/zinc/71/97/80/1318719780.db2.gz JYUPQGVMMIFOEF-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671437 1318785928 /nfs/dbraw/zinc/78/59/28/1318785928.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671437 1318785935 /nfs/dbraw/zinc/78/59/35/1318785935.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671437 1318785941 /nfs/dbraw/zinc/78/59/41/1318785941.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671437 1318785948 /nfs/dbraw/zinc/78/59/48/1318785948.db2.gz LAQAKNIBKMQADX-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000815559161 1319014782 /nfs/dbraw/zinc/01/47/82/1319014782.db2.gz ZEDBRAZPTMFWSA-OXQOHEQNSA-N 2 2 342.458 3.204 20 0 EGADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000815559161 1319014790 /nfs/dbraw/zinc/01/47/90/1319014790.db2.gz ZEDBRAZPTMFWSA-OXQOHEQNSA-N 2 2 342.458 3.204 20 0 EGADLP C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274558 1319308725 /nfs/dbraw/zinc/30/87/25/1319308725.db2.gz NFGZZASGKAENRQ-UHFFFAOYSA-N 2 2 345.874 3.199 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274558 1319308734 /nfs/dbraw/zinc/30/87/34/1319308734.db2.gz NFGZZASGKAENRQ-UHFFFAOYSA-N 2 2 345.874 3.199 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817940063 1319469085 /nfs/dbraw/zinc/46/90/85/1319469085.db2.gz CPTMNOJKKXNDCX-VQIMIIECSA-N 3 2 331.504 3.084 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960668 1319477743 /nfs/dbraw/zinc/47/77/43/1319477743.db2.gz OZRUYOYRGLEMAM-KXBFYZLASA-N 3 2 331.504 3.069 20 0 EGADLP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000817976062 1319484441 /nfs/dbraw/zinc/48/44/41/1319484441.db2.gz FFHAXAFYTXSHFQ-IQNGYNMSSA-N 2 2 334.479 3.230 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000819183809 1319660972 /nfs/dbraw/zinc/66/09/72/1319660972.db2.gz SPDGQLFWOAIYRE-UTKZUKDTSA-N 2 2 339.483 3.239 20 0 EGADLP CC1(C)CC(C[NH2+]CC2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961989697 1319794298 /nfs/dbraw/zinc/79/42/98/1319794298.db2.gz WPWVCBMBXXBVCR-UHFFFAOYSA-N 2 2 340.471 3.097 20 0 EGADLP c1nc(C2CC2)oc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000930437060 1328853969 /nfs/dbraw/zinc/85/39/69/1328853969.db2.gz BKKBVJSTPRJMNH-UHFFFAOYSA-N 2 2 334.423 3.422 20 0 EGADLP Cc1nnsc1[C@@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000930439260 1328855038 /nfs/dbraw/zinc/85/50/38/1328855038.db2.gz IQBARTYRADZAFF-CQSZACIVSA-N 2 2 339.468 3.278 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000821984753 1320045304 /nfs/dbraw/zinc/04/53/04/1320045304.db2.gz ZIVLCBQPTPVYPF-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000821984753 1320045308 /nfs/dbraw/zinc/04/53/08/1320045308.db2.gz ZIVLCBQPTPVYPF-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2nccn21 ZINC000825016945 1320304273 /nfs/dbraw/zinc/30/42/73/1320304273.db2.gz JVEWPGHVUHDLLM-BEFAXECRSA-N 2 2 339.487 3.214 20 0 EGADLP CC(C)c1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827352906 1320446876 /nfs/dbraw/zinc/44/68/76/1320446876.db2.gz TVOXTNWWXXVYSG-SFHVURJKSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827352906 1320446880 /nfs/dbraw/zinc/44/68/80/1320446880.db2.gz TVOXTNWWXXVYSG-SFHVURJKSA-N 2 2 343.515 3.051 20 0 EGADLP c1nnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000930564918 1328897626 /nfs/dbraw/zinc/89/76/26/1328897626.db2.gz PDUQTYVQBBKFNV-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP c1nnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000930564918 1328897634 /nfs/dbraw/zinc/89/76/34/1328897634.db2.gz PDUQTYVQBBKFNV-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP C[NH+](C)[C@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000841382182 1321267177 /nfs/dbraw/zinc/26/71/77/1321267177.db2.gz BHLVREMPUKUSQR-MSOLQXFVSA-N 2 2 342.487 3.107 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000841852048 1321323596 /nfs/dbraw/zinc/32/35/96/1321323596.db2.gz VYAXKQKLGFNPGU-MRXNPFEDSA-N 2 2 328.460 3.236 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000841852048 1321323601 /nfs/dbraw/zinc/32/36/01/1321323601.db2.gz VYAXKQKLGFNPGU-MRXNPFEDSA-N 2 2 328.460 3.236 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000841851882 1321323658 /nfs/dbraw/zinc/32/36/58/1321323658.db2.gz QFNLZBPWBAGCIT-UHFFFAOYSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843056867 1321463367 /nfs/dbraw/zinc/46/33/67/1321463367.db2.gz BFTUHERVTJRRTE-RHSMWYFYSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843056867 1321463369 /nfs/dbraw/zinc/46/33/69/1321463369.db2.gz BFTUHERVTJRRTE-RHSMWYFYSA-N 2 2 346.906 3.371 20 0 EGADLP Clc1cc(Cl)cc(C[NH+]2CCC(NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000843125715 1321473528 /nfs/dbraw/zinc/47/35/28/1321473528.db2.gz FZLONBMFWGMQOM-KRWDZBQOSA-N 2 2 342.314 3.299 20 0 EGADLP C[C@@H](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@H]1CCC[NH2+]C1 ZINC000843187362 1321483981 /nfs/dbraw/zinc/48/39/81/1321483981.db2.gz OICVEYBVVOGEDY-HOCLYGCPSA-N 2 2 337.427 3.101 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000843376541 1321508500 /nfs/dbraw/zinc/50/85/00/1321508500.db2.gz AOLNDCFGBFJWLS-QMTMVMCOSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000843376541 1321508506 /nfs/dbraw/zinc/50/85/06/1321508506.db2.gz AOLNDCFGBFJWLS-QMTMVMCOSA-N 2 2 325.456 3.226 20 0 EGADLP c1cc([NH+]2CCCC2)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848537354 1321972100 /nfs/dbraw/zinc/97/21/00/1321972100.db2.gz FQCUIDMVGXGFAD-HXUWFJFHSA-N 2 2 329.488 3.342 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccco1 ZINC000849051799 1322059781 /nfs/dbraw/zinc/05/97/81/1322059781.db2.gz XAQUQRGAAIFOMD-HOCLYGCPSA-N 2 2 344.459 3.032 20 0 EGADLP CN(C(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000921065614 1322251230 /nfs/dbraw/zinc/25/12/30/1322251230.db2.gz DTSLRAZKPXMORG-UHFFFAOYSA-N 2 2 334.423 3.015 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cn1 ZINC000921564282 1322353900 /nfs/dbraw/zinc/35/39/00/1322353900.db2.gz PNFWXFRVBGQADU-CQSZACIVSA-N 2 2 334.423 3.189 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000924654088 1323096038 /nfs/dbraw/zinc/09/60/38/1323096038.db2.gz OUXCNQQWSWSAFS-OAQYLSRUSA-N 2 2 341.499 3.346 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000924654088 1323096040 /nfs/dbraw/zinc/09/60/40/1323096040.db2.gz OUXCNQQWSWSAFS-OAQYLSRUSA-N 2 2 341.499 3.346 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnn(C)n1 ZINC000924686811 1323112329 /nfs/dbraw/zinc/11/23/29/1323112329.db2.gz VXFXRYKQVXZMII-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cnn(C)n1 ZINC000924686811 1323112334 /nfs/dbraw/zinc/11/23/34/1323112334.db2.gz VXFXRYKQVXZMII-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105409 1323146987 /nfs/dbraw/zinc/14/69/87/1323146987.db2.gz JRVHUWSLKOWZIA-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105409 1323147011 /nfs/dbraw/zinc/14/70/11/1323147011.db2.gz JRVHUWSLKOWZIA-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105409 1323147013 /nfs/dbraw/zinc/14/70/13/1323147013.db2.gz JRVHUWSLKOWZIA-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105409 1323147019 /nfs/dbraw/zinc/14/70/19/1323147019.db2.gz JRVHUWSLKOWZIA-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852108350 1323149483 /nfs/dbraw/zinc/14/94/83/1323149483.db2.gz BUKSJCPGJJVFSD-NRFANRHFSA-N 2 2 340.467 3.273 20 0 EGADLP CCc1ccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852108350 1323149487 /nfs/dbraw/zinc/14/94/87/1323149487.db2.gz BUKSJCPGJJVFSD-NRFANRHFSA-N 2 2 340.467 3.273 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852108350 1323149490 /nfs/dbraw/zinc/14/94/90/1323149490.db2.gz BUKSJCPGJJVFSD-NRFANRHFSA-N 2 2 340.467 3.273 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852108350 1323149493 /nfs/dbraw/zinc/14/94/93/1323149493.db2.gz BUKSJCPGJJVFSD-NRFANRHFSA-N 2 2 340.467 3.273 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001025035116 1323839272 /nfs/dbraw/zinc/83/92/72/1323839272.db2.gz GSVHHXDNYUGSQE-IEBWSBKVSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001025103712 1323896697 /nfs/dbraw/zinc/89/66/97/1323896697.db2.gz ZKYYRHSHNOIKQM-IEBWSBKVSA-N 2 2 344.503 3.305 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001025122996 1323905614 /nfs/dbraw/zinc/90/56/14/1323905614.db2.gz SZOACQBYXLKSQE-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227072 1324014267 /nfs/dbraw/zinc/01/42/67/1324014267.db2.gz MNDKJARTHAFBKL-ZWKOTPCHSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227072 1324014271 /nfs/dbraw/zinc/01/42/71/1324014271.db2.gz MNDKJARTHAFBKL-ZWKOTPCHSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237041 1324028324 /nfs/dbraw/zinc/02/83/24/1324028324.db2.gz JDUXYMCEVVIHLB-RBUKOAKNSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237041 1324028331 /nfs/dbraw/zinc/02/83/31/1324028331.db2.gz JDUXYMCEVVIHLB-RBUKOAKNSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237041 1324028335 /nfs/dbraw/zinc/02/83/35/1324028335.db2.gz JDUXYMCEVVIHLB-RBUKOAKNSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237041 1324028343 /nfs/dbraw/zinc/02/83/43/1324028343.db2.gz JDUXYMCEVVIHLB-RBUKOAKNSA-N 2 2 344.503 3.154 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245860 1324044354 /nfs/dbraw/zinc/04/43/54/1324044354.db2.gz SFKSYWMKCFPSEU-OALUTQOASA-N 2 2 340.471 3.432 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245860 1324044359 /nfs/dbraw/zinc/04/43/59/1324044359.db2.gz SFKSYWMKCFPSEU-OALUTQOASA-N 2 2 340.471 3.432 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000860029839 1329131235 /nfs/dbraw/zinc/13/12/35/1329131235.db2.gz RWNWKPZBJLPKET-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CCC([NH2+]CCC3CC3)CC2)c(C)[nH+]1 ZINC001026531640 1324871409 /nfs/dbraw/zinc/87/14/09/1324871409.db2.gz TWMHGHSKILFOKI-UHFFFAOYSA-N 2 2 329.488 3.438 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001026598820 1324924235 /nfs/dbraw/zinc/92/42/35/1324924235.db2.gz WISGRSBNEIJPKE-UHFFFAOYSA-N 2 2 346.519 3.248 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320788 1325106202 /nfs/dbraw/zinc/10/62/02/1325106202.db2.gz BGYTWCMCMYNKSC-QZTJIDSGSA-N 2 2 346.519 3.040 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320788 1325106207 /nfs/dbraw/zinc/10/62/07/1325106207.db2.gz BGYTWCMCMYNKSC-QZTJIDSGSA-N 2 2 346.519 3.040 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@@H]3CC[NH2+]C34CCCC4)CC2)cc1F ZINC000925474887 1325166504 /nfs/dbraw/zinc/16/65/04/1325166504.db2.gz SERHPQJXEZFRNX-LJQANCHMSA-N 2 2 349.469 3.194 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925495293 1325176289 /nfs/dbraw/zinc/17/62/89/1325176289.db2.gz TWYCLIJLRYKVEG-FGZHOGPDSA-N 3 2 341.543 3.409 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cc1 ZINC000925495299 1325176613 /nfs/dbraw/zinc/17/66/13/1325176613.db2.gz TWYCLIJLRYKVEG-YADHBBJMSA-N 3 2 341.543 3.409 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000925532320 1325193769 /nfs/dbraw/zinc/19/37/69/1325193769.db2.gz QPMFEQKMFBAOAL-APWZRJJASA-N 2 2 334.467 3.315 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c(C)c2c1 ZINC000925550072 1325203276 /nfs/dbraw/zinc/20/32/76/1325203276.db2.gz PQKULWRNSWIAAZ-CBFJUSMUSA-N 2 2 326.440 3.397 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925592154 1325225116 /nfs/dbraw/zinc/22/51/16/1325225116.db2.gz UZHCSYKTCHREJH-DUXKGJEZSA-N 2 2 342.531 3.214 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925592154 1325225124 /nfs/dbraw/zinc/22/51/24/1325225124.db2.gz UZHCSYKTCHREJH-DUXKGJEZSA-N 2 2 342.531 3.214 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631699 1325238952 /nfs/dbraw/zinc/23/89/52/1325238952.db2.gz WPLRNXPEPGPXTD-CSBKYJRVSA-N 2 2 339.886 3.202 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442394 1325250053 /nfs/dbraw/zinc/25/00/53/1325250053.db2.gz QLVWILYOPWLFJU-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442394 1325250060 /nfs/dbraw/zinc/25/00/60/1325250060.db2.gz QLVWILYOPWLFJU-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000925769174 1325291387 /nfs/dbraw/zinc/29/13/87/1325291387.db2.gz BHTBJCNXCPZGLR-JXFKEZNVSA-N 3 2 335.455 3.137 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000925790787 1325302125 /nfs/dbraw/zinc/30/21/25/1325302125.db2.gz IWYFWHMOIDMIBU-QAPCUYQASA-N 2 2 338.442 3.410 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926349861 1325523262 /nfs/dbraw/zinc/52/32/62/1325523262.db2.gz BMPRXZZXNCLAQK-BEFAXECRSA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926349861 1325523269 /nfs/dbraw/zinc/52/32/69/1325523269.db2.gz BMPRXZZXNCLAQK-BEFAXECRSA-N 2 2 329.444 3.246 20 0 EGADLP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926411668 1325544301 /nfs/dbraw/zinc/54/43/01/1325544301.db2.gz SDNSRNPJYPDKFO-PNEOLPHYSA-N 2 2 347.547 3.185 20 0 EGADLP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926411668 1325544307 /nfs/dbraw/zinc/54/43/07/1325544307.db2.gz SDNSRNPJYPDKFO-PNEOLPHYSA-N 2 2 347.547 3.185 20 0 EGADLP CC1([NH+]2CCC2)CCC([NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000927036155 1327825113 /nfs/dbraw/zinc/82/51/13/1327825113.db2.gz FCZPPSTYGPYRNC-HFCFLWKCSA-N 2 2 343.450 3.030 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927056737 1327832781 /nfs/dbraw/zinc/83/27/81/1327832781.db2.gz WEQWUDCIOFGXAR-UWIFEVILSA-N 2 2 327.428 3.205 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943320 1328417348 /nfs/dbraw/zinc/41/73/48/1328417348.db2.gz QBWNLVAUROIPHQ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943320 1328417356 /nfs/dbraw/zinc/41/73/56/1328417356.db2.gz QBWNLVAUROIPHQ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943320 1328417361 /nfs/dbraw/zinc/41/73/61/1328417361.db2.gz QBWNLVAUROIPHQ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943320 1328417366 /nfs/dbraw/zinc/41/73/66/1328417366.db2.gz QBWNLVAUROIPHQ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970012 1328443108 /nfs/dbraw/zinc/44/31/08/1328443108.db2.gz FISGZDUWMQKVPP-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970012 1328443115 /nfs/dbraw/zinc/44/31/15/1328443115.db2.gz FISGZDUWMQKVPP-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccnc1Br ZINC000865425500 1329695685 /nfs/dbraw/zinc/69/56/85/1329695685.db2.gz MYXLJPOWSQJWFS-ZDUSSCGKSA-N 2 2 337.265 3.245 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H](O)C3CCCC3)CC2)cc1 ZINC000865875091 1329747858 /nfs/dbraw/zinc/74/78/58/1329747858.db2.gz LFJQKUILSPSFIS-NRFANRHFSA-N 2 2 345.531 3.252 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933392896 1329885473 /nfs/dbraw/zinc/88/54/73/1329885473.db2.gz QACRXFGJVLISIE-INIZCTEOSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933392896 1329885477 /nfs/dbraw/zinc/88/54/77/1329885477.db2.gz QACRXFGJVLISIE-INIZCTEOSA-N 2 2 348.450 3.300 20 0 EGADLP C[NH+]1CCC2(CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)CC1 ZINC000866054891 1330060547 /nfs/dbraw/zinc/06/05/47/1330060547.db2.gz KROJMGIAGMACTB-UHFFFAOYSA-N 2 2 335.455 3.195 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866530056 1330122295 /nfs/dbraw/zinc/12/22/95/1330122295.db2.gz WFIFJVXGQDCROF-GGPKGHCWSA-N 2 2 343.515 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866530056 1330122296 /nfs/dbraw/zinc/12/22/96/1330122296.db2.gz WFIFJVXGQDCROF-GGPKGHCWSA-N 2 2 343.515 3.088 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839838 1331215061 /nfs/dbraw/zinc/21/50/61/1331215061.db2.gz PWDBFQKSKKMNOR-KRWDZBQOSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839838 1331215064 /nfs/dbraw/zinc/21/50/64/1331215064.db2.gz PWDBFQKSKKMNOR-KRWDZBQOSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183489 1331866152 /nfs/dbraw/zinc/86/61/52/1331866152.db2.gz HYOMPKQZOIURSQ-GDBMZVCRSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183489 1331866154 /nfs/dbraw/zinc/86/61/54/1331866154.db2.gz HYOMPKQZOIURSQ-GDBMZVCRSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H]1C[N@H+](CC2CCCC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184642 1331867974 /nfs/dbraw/zinc/86/79/74/1331867974.db2.gz VUNNYNFHNWZOGF-PBHICJAKSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184642 1331867975 /nfs/dbraw/zinc/86/79/75/1331867975.db2.gz VUNNYNFHNWZOGF-PBHICJAKSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C[C@@H]1C ZINC000944443644 1332412936 /nfs/dbraw/zinc/41/29/36/1332412936.db2.gz HMVGTDFJQQOXEH-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C[C@@H]1C ZINC000944443644 1332412937 /nfs/dbraw/zinc/41/29/37/1332412937.db2.gz HMVGTDFJQQOXEH-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540562 1333164271 /nfs/dbraw/zinc/16/42/71/1333164271.db2.gz VMSWZBWPDMMBDG-RDJZCZTQSA-N 2 2 342.487 3.353 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540562 1333164275 /nfs/dbraw/zinc/16/42/75/1333164275.db2.gz VMSWZBWPDMMBDG-RDJZCZTQSA-N 2 2 342.487 3.353 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947758878 1333253378 /nfs/dbraw/zinc/25/33/78/1333253378.db2.gz UOJPBLCYHBCGCO-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCC1CCCCCC1 ZINC000947758878 1333253380 /nfs/dbraw/zinc/25/33/80/1333253380.db2.gz UOJPBLCYHBCGCO-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616940 1333598067 /nfs/dbraw/zinc/59/80/67/1333598067.db2.gz LFUYLGSJHRWWTQ-KRWDZBQOSA-N 2 2 342.487 3.307 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616940 1333598070 /nfs/dbraw/zinc/59/80/70/1333598070.db2.gz LFUYLGSJHRWWTQ-KRWDZBQOSA-N 2 2 342.487 3.307 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494678 1335758475 /nfs/dbraw/zinc/75/84/75/1335758475.db2.gz IKOBVIGTTQTNQT-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494678 1335758480 /nfs/dbraw/zinc/75/84/80/1335758480.db2.gz IKOBVIGTTQTNQT-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001204932555 1370609019 /nfs/dbraw/zinc/60/90/19/1370609019.db2.gz KPTBFTUTNHAMLW-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001204932555 1370609021 /nfs/dbraw/zinc/60/90/21/1370609021.db2.gz KPTBFTUTNHAMLW-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007635507 1336681145 /nfs/dbraw/zinc/68/11/45/1336681145.db2.gz GOXRCSWVKGVMNB-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007635507 1336681147 /nfs/dbraw/zinc/68/11/47/1336681147.db2.gz GOXRCSWVKGVMNB-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941602 1337961371 /nfs/dbraw/zinc/96/13/71/1337961371.db2.gz ORJFBNFGMAPRLD-WBVHZDCISA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941602 1337961375 /nfs/dbraw/zinc/96/13/75/1337961375.db2.gz ORJFBNFGMAPRLD-WBVHZDCISA-N 2 2 348.450 3.437 20 0 EGADLP C[N@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001017154910 1338905744 /nfs/dbraw/zinc/90/57/44/1338905744.db2.gz WRORHNIXYQBSQS-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001017154910 1338905748 /nfs/dbraw/zinc/90/57/48/1338905748.db2.gz WRORHNIXYQBSQS-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001030618588 1341200879 /nfs/dbraw/zinc/20/08/79/1341200879.db2.gz MEPYNCJLLRWRGD-INIZCTEOSA-N 2 2 348.450 3.126 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC001031050654 1341270227 /nfs/dbraw/zinc/27/02/27/1341270227.db2.gz SEHZHPHMBPLAIP-YLJYHZDGSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC001031050654 1341270229 /nfs/dbraw/zinc/27/02/29/1341270229.db2.gz SEHZHPHMBPLAIP-YLJYHZDGSA-N 2 2 343.515 3.119 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001036410801 1343470624 /nfs/dbraw/zinc/47/06/24/1343470624.db2.gz IELLKUCJPBRRMD-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001036410801 1343470627 /nfs/dbraw/zinc/47/06/27/1343470627.db2.gz IELLKUCJPBRRMD-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037244741 1344065384 /nfs/dbraw/zinc/06/53/84/1344065384.db2.gz GETATECRYKSSDR-ROUUACIJSA-N 2 2 346.519 3.106 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1[C@@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415341 1344418513 /nfs/dbraw/zinc/41/85/13/1344418513.db2.gz HFCRZHZUMNANKE-OXJNMPFZSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1[C@@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415341 1344418518 /nfs/dbraw/zinc/41/85/18/1344418518.db2.gz HFCRZHZUMNANKE-OXJNMPFZSA-N 2 2 346.434 3.055 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874151 1344623168 /nfs/dbraw/zinc/62/31/68/1344623168.db2.gz ODAOSIPKGVVMMW-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874151 1344623170 /nfs/dbraw/zinc/62/31/70/1344623170.db2.gz ODAOSIPKGVVMMW-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044624199 1346385512 /nfs/dbraw/zinc/38/55/12/1346385512.db2.gz FKQTUMPSQPFBAO-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044624199 1346385514 /nfs/dbraw/zinc/38/55/14/1346385514.db2.gz FKQTUMPSQPFBAO-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692690 1346404763 /nfs/dbraw/zinc/40/47/63/1346404763.db2.gz IPWWEXZAIOCMMI-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001045118230 1346497977 /nfs/dbraw/zinc/49/79/77/1346497977.db2.gz HNTQFYSNLGUPGA-AEFFLSMTSA-N 2 2 348.450 3.290 20 0 EGADLP CCCC[NH+]1CCC(C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001045606629 1346644064 /nfs/dbraw/zinc/64/40/64/1346644064.db2.gz YMGHBNLKIDKAFE-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CCC2CCCCC2)C1 ZINC001046386732 1346958179 /nfs/dbraw/zinc/95/81/79/1346958179.db2.gz GEVWIUZLTMTZII-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046386732 1346958180 /nfs/dbraw/zinc/95/81/80/1346958180.db2.gz GEVWIUZLTMTZII-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](CCC2CCCCC2)C1 ZINC001046386732 1346958181 /nfs/dbraw/zinc/95/81/81/1346958181.db2.gz GEVWIUZLTMTZII-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](CCC2CCCCC2)C1 ZINC001046386732 1346958183 /nfs/dbraw/zinc/95/81/83/1346958183.db2.gz GEVWIUZLTMTZII-HLIPFELVSA-N 2 2 344.503 3.064 20 0 EGADLP CC[NH+]1CCC([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001047244943 1347270729 /nfs/dbraw/zinc/27/07/29/1347270729.db2.gz VZBSJKVILLQNJE-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[C@H](C[NH2+]C(C)C)CC3)ccn12 ZINC001048607619 1347617089 /nfs/dbraw/zinc/61/70/89/1347617089.db2.gz ZLFCROUVXLGWRT-QAQDUYKDSA-N 2 2 342.487 3.177 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527453 1347892929 /nfs/dbraw/zinc/89/29/29/1347892929.db2.gz QIAVWEKVBPVAPL-RWQQGDIJSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527453 1347892933 /nfs/dbraw/zinc/89/29/33/1347892933.db2.gz QIAVWEKVBPVAPL-RWQQGDIJSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527453 1347892935 /nfs/dbraw/zinc/89/29/35/1347892935.db2.gz QIAVWEKVBPVAPL-RWQQGDIJSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527453 1347892937 /nfs/dbraw/zinc/89/29/37/1347892937.db2.gz QIAVWEKVBPVAPL-RWQQGDIJSA-N 2 2 344.503 3.015 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCC(C)C)c[nH+]1 ZINC001049544645 1347900366 /nfs/dbraw/zinc/90/03/66/1347900366.db2.gz FFKJNQGYQAPMDE-ROUUACIJSA-N 2 2 346.519 3.038 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC(C)C)c[nH+]1 ZINC001049544645 1347900367 /nfs/dbraw/zinc/90/03/67/1347900367.db2.gz FFKJNQGYQAPMDE-ROUUACIJSA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551732 1347904071 /nfs/dbraw/zinc/90/40/71/1347904071.db2.gz IPFTUBGBXXSVGO-RBUKOAKNSA-N 2 2 338.455 3.208 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551732 1347904073 /nfs/dbraw/zinc/90/40/73/1347904073.db2.gz IPFTUBGBXXSVGO-RBUKOAKNSA-N 2 2 338.455 3.208 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757705 1348004242 /nfs/dbraw/zinc/00/42/42/1348004242.db2.gz BMQNSTKSKSUALE-BHIYHBOVSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757705 1348004243 /nfs/dbraw/zinc/00/42/43/1348004243.db2.gz BMQNSTKSKSUALE-BHIYHBOVSA-N 2 2 346.519 3.336 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC3(C2)CC[NH+](CC[C@@H](C)F)CC3)c(C)[nH+]1 ZINC001050598609 1348296841 /nfs/dbraw/zinc/29/68/41/1348296841.db2.gz MXPHQTWKJSUYIT-OAHLLOKOSA-N 2 2 347.478 3.293 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104017 1348938272 /nfs/dbraw/zinc/93/82/72/1348938272.db2.gz MPQPAFUOHABUEP-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104017 1348938275 /nfs/dbraw/zinc/93/82/75/1348938275.db2.gz MPQPAFUOHABUEP-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC[N@@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269469 1349267525 /nfs/dbraw/zinc/26/75/25/1349267525.db2.gz CJPOBRPNHHDELF-UHFFFAOYSA-N 2 2 334.423 3.219 20 0 EGADLP CCC[N@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269469 1349267527 /nfs/dbraw/zinc/26/75/27/1349267527.db2.gz CJPOBRPNHHDELF-UHFFFAOYSA-N 2 2 334.423 3.219 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C)[N@H+](CCC(C)C)C3)ccn12 ZINC001071511131 1354736027 /nfs/dbraw/zinc/73/60/27/1354736027.db2.gz JOPAAVHAUVVIMB-MAUKXSAKSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C)[N@@H+](CCC(C)C)C3)ccn12 ZINC001071511131 1354736032 /nfs/dbraw/zinc/73/60/32/1354736032.db2.gz JOPAAVHAUVVIMB-MAUKXSAKSA-N 2 2 342.487 3.272 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@@H+]1CC1CCCC1 ZINC001071610563 1354794700 /nfs/dbraw/zinc/79/47/00/1354794700.db2.gz VFKNNMMGWLMAIH-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CC1CCCC1 ZINC001071610563 1354794704 /nfs/dbraw/zinc/79/47/04/1354794704.db2.gz VFKNNMMGWLMAIH-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071610062 1354795363 /nfs/dbraw/zinc/79/53/63/1354795363.db2.gz QGNAJJMQLXTQJW-ZBFHGGJFSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071610062 1354795370 /nfs/dbraw/zinc/79/53/70/1354795370.db2.gz QGNAJJMQLXTQJW-ZBFHGGJFSA-N 2 2 328.460 3.192 20 0 EGADLP C[N@H+](C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)CC1CCCCCC1 ZINC001089264867 1360291939 /nfs/dbraw/zinc/29/19/39/1360291939.db2.gz JLZUYTWUKRPKPD-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)CC1CCCCCC1 ZINC001089264867 1360291943 /nfs/dbraw/zinc/29/19/43/1360291943.db2.gz JLZUYTWUKRPKPD-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001074073119 1356068456 /nfs/dbraw/zinc/06/84/56/1356068456.db2.gz KREJOJVTCYFKJX-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001074073119 1356068460 /nfs/dbraw/zinc/06/84/60/1356068460.db2.gz KREJOJVTCYFKJX-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575083 1387320068 /nfs/dbraw/zinc/32/00/68/1387320068.db2.gz CPJQUSXTALSOKX-YLJYHZDGSA-N 2 2 348.535 3.174 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001086434780 1359096497 /nfs/dbraw/zinc/09/64/97/1359096497.db2.gz IYDZFZALMSHCCH-WGSAOQKQSA-N 2 2 337.467 3.305 20 0 EGADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086733177 1359192787 /nfs/dbraw/zinc/19/27/87/1359192787.db2.gz YKAWZVQBNBZCCA-DOTOQJQBSA-N 2 2 340.471 3.241 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935379 1359258673 /nfs/dbraw/zinc/25/86/73/1359258673.db2.gz PQOHMAMFWJJOHE-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948107 1359269704 /nfs/dbraw/zinc/26/97/04/1359269704.db2.gz PWRCWOPCSPTOHE-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948107 1359269705 /nfs/dbraw/zinc/26/97/05/1359269705.db2.gz PWRCWOPCSPTOHE-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954566 1359275240 /nfs/dbraw/zinc/27/52/40/1359275240.db2.gz OGRVHGHMIQKUHW-HOTGVXAUSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001089238699 1360276439 /nfs/dbraw/zinc/27/64/39/1360276439.db2.gz RREFSZHNWIHDCC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001089238699 1360276441 /nfs/dbraw/zinc/27/64/41/1360276441.db2.gz RREFSZHNWIHDCC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001089238699 1360276444 /nfs/dbraw/zinc/27/64/44/1360276444.db2.gz RREFSZHNWIHDCC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001089238699 1360276448 /nfs/dbraw/zinc/27/64/48/1360276448.db2.gz RREFSZHNWIHDCC-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184651377 1387503057 /nfs/dbraw/zinc/50/30/57/1387503057.db2.gz DOTYWQAOPNUTFZ-HOCLYGCPSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C[NH2+]CCC(C)C)[C@@H](C)C2)c[nH+]1 ZINC001184653454 1387503405 /nfs/dbraw/zinc/50/34/05/1387503405.db2.gz RJJRPLCKMHSWOS-WMZOPIPTSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C[NH2+]CCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001184653444 1387503599 /nfs/dbraw/zinc/50/35/99/1387503599.db2.gz RJJRPLCKMHSWOS-AEFFLSMTSA-N 2 2 348.535 3.047 20 0 EGADLP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323833 1363749858 /nfs/dbraw/zinc/74/98/58/1363749858.db2.gz BNRPVPZKKXBWGH-JTGQJZMRSA-N 2 2 346.519 3.224 20 0 EGADLP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323833 1363749860 /nfs/dbraw/zinc/74/98/60/1363749860.db2.gz BNRPVPZKKXBWGH-JTGQJZMRSA-N 2 2 346.519 3.224 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663468 1364209531 /nfs/dbraw/zinc/20/95/31/1364209531.db2.gz UEBYULLFGSOXFO-HLIPIGGUSA-N 2 2 344.503 3.060 20 0 EGADLP CC[NH2+]CC(C)(C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001101541700 1364607311 /nfs/dbraw/zinc/60/73/11/1364607311.db2.gz RXHAAUDVCOYPLP-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101591921 1364643116 /nfs/dbraw/zinc/64/31/16/1364643116.db2.gz CGLRSTUXHVMAFS-OAHLLOKOSA-N 2 2 348.535 3.161 20 0 EGADLP CCCCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001101970986 1364794360 /nfs/dbraw/zinc/79/43/60/1364794360.db2.gz BRFBTRIOHAMFEY-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC001101970986 1364794364 /nfs/dbraw/zinc/79/43/64/1364794364.db2.gz BRFBTRIOHAMFEY-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H]2C[N@H+](CCC(C)C)C[C@H]2C)c[nH+]1 ZINC001103140075 1365403388 /nfs/dbraw/zinc/40/33/88/1365403388.db2.gz LWOJDBSRLVFVDU-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)c[nH+]1 ZINC001103140075 1365403392 /nfs/dbraw/zinc/40/33/92/1365403392.db2.gz LWOJDBSRLVFVDU-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104911666 1366220627 /nfs/dbraw/zinc/22/06/27/1366220627.db2.gz DASWMPCPOCHMKJ-TZNMXKOXSA-N 2 2 346.519 3.118 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001106310623 1366649284 /nfs/dbraw/zinc/64/92/84/1366649284.db2.gz WFVXQJAQCXXDGR-CRAIPNDOSA-N 2 2 348.535 3.047 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106419855 1366690172 /nfs/dbraw/zinc/69/01/72/1366690172.db2.gz XDIFJTNQJZHPQK-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+](CC2CCCCC2)C1 ZINC001324943465 1387839897 /nfs/dbraw/zinc/83/98/97/1387839897.db2.gz IKDHGEXEVOPJLC-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+](CC2CCCCC2)C1 ZINC001324943465 1387839905 /nfs/dbraw/zinc/83/99/05/1387839905.db2.gz IKDHGEXEVOPJLC-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+](CC2CCCCC2)C1 ZINC001324943465 1387839912 /nfs/dbraw/zinc/83/99/12/1387839912.db2.gz IKDHGEXEVOPJLC-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+](CC2CCCCC2)C1 ZINC001324943465 1387839918 /nfs/dbraw/zinc/83/99/18/1387839918.db2.gz IKDHGEXEVOPJLC-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491525 1366991423 /nfs/dbraw/zinc/99/14/23/1366991423.db2.gz DGHVRSDLWZHSIS-UYAOXDASSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)CCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107491525 1366991428 /nfs/dbraw/zinc/99/14/28/1366991428.db2.gz DGHVRSDLWZHSIS-UYAOXDASSA-N 2 2 346.519 3.070 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588129 1367059787 /nfs/dbraw/zinc/05/97/87/1367059787.db2.gz DIHZIDJSUXCPEK-VURNCLMJSA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588129 1367059790 /nfs/dbraw/zinc/05/97/90/1367059790.db2.gz DIHZIDJSUXCPEK-VURNCLMJSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433824 1367118672 /nfs/dbraw/zinc/11/86/72/1367118672.db2.gz ZPTRQWAMXNCDTO-YDZRNGNQSA-N 2 2 344.503 3.158 20 0 EGADLP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433824 1367118673 /nfs/dbraw/zinc/11/86/73/1367118673.db2.gz ZPTRQWAMXNCDTO-YDZRNGNQSA-N 2 2 344.503 3.158 20 0 EGADLP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190174631 1367190758 /nfs/dbraw/zinc/19/07/58/1367190758.db2.gz GTGFWZXLHFPGQA-DUMMIQTOSA-N 2 2 340.471 3.145 20 0 EGADLP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190174631 1367190762 /nfs/dbraw/zinc/19/07/62/1367190762.db2.gz GTGFWZXLHFPGQA-DUMMIQTOSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933056 1367385315 /nfs/dbraw/zinc/38/53/15/1367385315.db2.gz FUNHPNVEOUJPNQ-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933056 1367385319 /nfs/dbraw/zinc/38/53/19/1367385319.db2.gz FUNHPNVEOUJPNQ-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670749 1367524167 /nfs/dbraw/zinc/52/41/67/1367524167.db2.gz DCOOUDBHSNSKAH-PKTYMYEJSA-N 2 2 344.503 3.058 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462101 1368035484 /nfs/dbraw/zinc/03/54/84/1368035484.db2.gz KRZABZMJGXTSNM-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462101 1368035487 /nfs/dbraw/zinc/03/54/87/1368035487.db2.gz KRZABZMJGXTSNM-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885105 1368528851 /nfs/dbraw/zinc/52/88/51/1368528851.db2.gz ABAZXLGSDVIRIA-HBFSDRIKSA-N 2 2 346.519 3.385 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885105 1368528853 /nfs/dbraw/zinc/52/88/53/1368528853.db2.gz ABAZXLGSDVIRIA-HBFSDRIKSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197284120 1368779364 /nfs/dbraw/zinc/77/93/64/1368779364.db2.gz WHAQCPMWQLQJCM-QZTJIDSGSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197284120 1368779367 /nfs/dbraw/zinc/77/93/67/1368779367.db2.gz WHAQCPMWQLQJCM-QZTJIDSGSA-N 2 2 334.508 3.051 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001112482445 1368880308 /nfs/dbraw/zinc/88/03/08/1368880308.db2.gz WOXYLDFKPFQGDM-PXNSSMCTSA-N 2 2 347.478 3.198 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001325448280 1387975652 /nfs/dbraw/zinc/97/56/52/1387975652.db2.gz HAIUMTUSUHRRKO-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C)cc2C)CC1)[NH+](CC)CC ZINC001113340967 1369359225 /nfs/dbraw/zinc/35/92/25/1369359225.db2.gz GPDXWWQOOVCRKH-FQEVSTJZSA-N 2 2 345.531 3.068 20 0 EGADLP C1=C2CCC[N@@H+](CC3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001202597566 1369818401 /nfs/dbraw/zinc/81/84/01/1369818401.db2.gz CTXZTMJGJOYULL-DOIPELPJSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[N@H+](CC3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001202597566 1369818404 /nfs/dbraw/zinc/81/84/04/1369818404.db2.gz CTXZTMJGJOYULL-DOIPELPJSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[NH+](CC3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001202597566 1369818406 /nfs/dbraw/zinc/81/84/06/1369818406.db2.gz CTXZTMJGJOYULL-DOIPELPJSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[NH+](CC3CCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001202597566 1369818410 /nfs/dbraw/zinc/81/84/10/1369818410.db2.gz CTXZTMJGJOYULL-DOIPELPJSA-N 2 2 330.516 3.308 20 0 EGADLP Fc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001203786435 1370264576 /nfs/dbraw/zinc/26/45/76/1370264576.db2.gz XMAGNOSHJZLBOM-UHFFFAOYSA-N 2 2 344.430 3.286 20 0 EGADLP Fc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001203786435 1370264584 /nfs/dbraw/zinc/26/45/84/1370264584.db2.gz XMAGNOSHJZLBOM-UHFFFAOYSA-N 2 2 344.430 3.286 20 0 EGADLP CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813115 1370274124 /nfs/dbraw/zinc/27/41/24/1370274124.db2.gz AYMFURYXPCIJNS-QZTJIDSGSA-N 2 2 346.519 3.261 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001203819192 1370276499 /nfs/dbraw/zinc/27/64/99/1370276499.db2.gz RHNZVDQHEZCETH-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP COc1cccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001203819192 1370276501 /nfs/dbraw/zinc/27/65/01/1370276501.db2.gz RHNZVDQHEZCETH-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001203819192 1370276503 /nfs/dbraw/zinc/27/65/03/1370276503.db2.gz RHNZVDQHEZCETH-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001203819192 1370276508 /nfs/dbraw/zinc/27/65/08/1370276508.db2.gz RHNZVDQHEZCETH-HDICACEKSA-N 2 2 326.440 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001204168831 1370397339 /nfs/dbraw/zinc/39/73/39/1370397339.db2.gz YVNSHZSYDQEILD-LJQANCHMSA-N 2 2 344.499 3.235 20 0 EGADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001204168831 1370397345 /nfs/dbraw/zinc/39/73/45/1370397345.db2.gz YVNSHZSYDQEILD-LJQANCHMSA-N 2 2 344.499 3.235 20 0 EGADLP Cn1c2ccccc2[nH+]c1Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001204490704 1370490134 /nfs/dbraw/zinc/49/01/34/1370490134.db2.gz DSJABXKUBYRZFP-UHFFFAOYSA-N 2 2 335.455 3.064 20 0 EGADLP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4nccs4)CC3)C2)c1 ZINC001204547216 1370511434 /nfs/dbraw/zinc/51/14/34/1370511434.db2.gz UJCABTDDBRWCAS-UHFFFAOYSA-N 2 2 349.525 3.072 20 0 EGADLP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4nccs4)CC3)C2)c1 ZINC001204547216 1370511437 /nfs/dbraw/zinc/51/14/37/1370511437.db2.gz UJCABTDDBRWCAS-UHFFFAOYSA-N 2 2 349.525 3.072 20 0 EGADLP COCOc1cc(C)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(C)c1 ZINC001204612922 1370529893 /nfs/dbraw/zinc/52/98/93/1370529893.db2.gz YELYXUJJDLKVPA-IBGZPJMESA-N 2 2 340.467 3.486 20 0 EGADLP COCOc1cc(C)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(C)c1 ZINC001204612922 1370529895 /nfs/dbraw/zinc/52/98/95/1370529895.db2.gz YELYXUJJDLKVPA-IBGZPJMESA-N 2 2 340.467 3.486 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC001204933395 1370609431 /nfs/dbraw/zinc/60/94/31/1370609431.db2.gz SQAZBFZZZBVYHV-HXUWFJFHSA-N 2 2 338.451 3.453 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]3C[NH3+])c2)cc1 ZINC001204933395 1370609435 /nfs/dbraw/zinc/60/94/35/1370609435.db2.gz SQAZBFZZZBVYHV-HXUWFJFHSA-N 2 2 338.451 3.453 20 0 EGADLP CCC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC001115651738 1370638437 /nfs/dbraw/zinc/63/84/37/1370638437.db2.gz JLOINDKWILMRPR-UHFFFAOYSA-N 2 2 340.471 3.305 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116715 1370654692 /nfs/dbraw/zinc/65/46/92/1370654692.db2.gz HCKUSBKVDZBSBF-CYBMUJFWSA-N 2 2 349.862 3.311 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116715 1370654696 /nfs/dbraw/zinc/65/46/96/1370654696.db2.gz HCKUSBKVDZBSBF-CYBMUJFWSA-N 2 2 349.862 3.311 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1F ZINC001205172485 1370670331 /nfs/dbraw/zinc/67/03/31/1370670331.db2.gz SLGJXRPDOJRBRJ-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1F ZINC001205172485 1370670335 /nfs/dbraw/zinc/67/03/35/1370670335.db2.gz SLGJXRPDOJRBRJ-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1F ZINC001205172485 1370670337 /nfs/dbraw/zinc/67/03/37/1370670337.db2.gz SLGJXRPDOJRBRJ-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1F ZINC001205172485 1370670341 /nfs/dbraw/zinc/67/03/41/1370670341.db2.gz SLGJXRPDOJRBRJ-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001205249024 1370695313 /nfs/dbraw/zinc/69/53/13/1370695313.db2.gz QYRXXJSMMCHOEO-UHFFFAOYSA-N 2 2 336.439 3.480 20 0 EGADLP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001115725080 1370705411 /nfs/dbraw/zinc/70/54/11/1370705411.db2.gz JHNOZYXVKIPNMO-MRXNPFEDSA-N 2 2 344.503 3.038 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305865 1370715383 /nfs/dbraw/zinc/71/53/83/1370715383.db2.gz SXRGTRXQSNBNMK-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205305865 1370715386 /nfs/dbraw/zinc/71/53/86/1370715386.db2.gz SXRGTRXQSNBNMK-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205332824 1370724613 /nfs/dbraw/zinc/72/46/13/1370724613.db2.gz UJLYRRBULZRKEB-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205332824 1370724617 /nfs/dbraw/zinc/72/46/17/1370724617.db2.gz UJLYRRBULZRKEB-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP Cn1c2ccccc2c(C[N@H+](C)C[C@@H]2C[NH2+]CCO2)c1-c1ccccc1 ZINC001205376780 1370735497 /nfs/dbraw/zinc/73/54/97/1370735497.db2.gz NZAOHMHIYWLRHX-SFHVURJKSA-N 2 2 349.478 3.266 20 0 EGADLP Cn1c2ccccc2c(C[N@@H+](C)C[C@@H]2C[NH2+]CCO2)c1-c1ccccc1 ZINC001205376780 1370735502 /nfs/dbraw/zinc/73/55/02/1370735502.db2.gz NZAOHMHIYWLRHX-SFHVURJKSA-N 2 2 349.478 3.266 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115765761 1370750217 /nfs/dbraw/zinc/75/02/17/1370750217.db2.gz DWQVFSIKMPAVPK-CGZBRXJRSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115765761 1370750222 /nfs/dbraw/zinc/75/02/22/1370750222.db2.gz DWQVFSIKMPAVPK-CGZBRXJRSA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC(C[NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001205500260 1370773235 /nfs/dbraw/zinc/77/32/35/1370773235.db2.gz NQEILAAESITIJG-LJQANCHMSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)CC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205524318 1370780923 /nfs/dbraw/zinc/78/09/23/1370780923.db2.gz HKJQGMPAGUVLBJ-UHFFFAOYSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001205728237 1370853108 /nfs/dbraw/zinc/85/31/08/1370853108.db2.gz IXQYDISQXOAMIT-LSDHHAIUSA-N 2 2 329.529 3.246 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)C[C@@H]1[NH3+] ZINC001205888434 1370901885 /nfs/dbraw/zinc/90/18/85/1370901885.db2.gz GBEKHXFTJOWBRU-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)C[C@@H]1[NH3+] ZINC001205888434 1370901887 /nfs/dbraw/zinc/90/18/87/1370901887.db2.gz GBEKHXFTJOWBRU-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205914831 1370908474 /nfs/dbraw/zinc/90/84/74/1370908474.db2.gz OEXQGYZSIZHKEH-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205914831 1370908477 /nfs/dbraw/zinc/90/84/77/1370908477.db2.gz OEXQGYZSIZHKEH-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP COc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001205959751 1370923105 /nfs/dbraw/zinc/92/31/05/1370923105.db2.gz VFVVPYIDRSDCEQ-QZTJIDSGSA-N 2 2 348.531 3.184 20 0 EGADLP COc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001205959751 1370923108 /nfs/dbraw/zinc/92/31/08/1370923108.db2.gz VFVVPYIDRSDCEQ-QZTJIDSGSA-N 2 2 348.531 3.184 20 0 EGADLP COc1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206173192 1370979712 /nfs/dbraw/zinc/97/97/12/1370979712.db2.gz FZAQFWHSOBCPGY-GJZGRUSLSA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206173192 1370979714 /nfs/dbraw/zinc/97/97/14/1370979714.db2.gz FZAQFWHSOBCPGY-GJZGRUSLSA-N 2 2 337.826 3.158 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206533497 1371086123 /nfs/dbraw/zinc/08/61/23/1371086123.db2.gz LNVBSIOTQHVWRB-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206533497 1371086130 /nfs/dbraw/zinc/08/61/30/1371086130.db2.gz LNVBSIOTQHVWRB-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533359 1371086501 /nfs/dbraw/zinc/08/65/01/1371086501.db2.gz GEOLBQCKBWXANX-FUTAKVPZSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533359 1371086507 /nfs/dbraw/zinc/08/65/07/1371086507.db2.gz GEOLBQCKBWXANX-FUTAKVPZSA-N 2 2 346.519 3.163 20 0 EGADLP Cc1ncc(Br)cc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206584517 1371100021 /nfs/dbraw/zinc/10/00/21/1371100021.db2.gz ZRKMNELLYMGXJD-OAHLLOKOSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1ncc(Br)cc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206584517 1371100026 /nfs/dbraw/zinc/10/00/26/1371100026.db2.gz ZRKMNELLYMGXJD-OAHLLOKOSA-N 2 2 326.282 3.103 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(OC(F)(F)F)c1 ZINC001206632363 1371114700 /nfs/dbraw/zinc/11/47/00/1371114700.db2.gz JWERPBBFDKMHEQ-GFCCVEGCSA-N 2 2 332.366 3.155 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(OC(F)(F)F)c1 ZINC001206632363 1371114703 /nfs/dbraw/zinc/11/47/03/1371114703.db2.gz JWERPBBFDKMHEQ-GFCCVEGCSA-N 2 2 332.366 3.155 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206633574 1371115529 /nfs/dbraw/zinc/11/55/29/1371115529.db2.gz YHULTJCYAZUURW-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206633574 1371115531 /nfs/dbraw/zinc/11/55/31/1371115531.db2.gz YHULTJCYAZUURW-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP CC1(C[NH3+])C[NH+](Cc2cc3cc(Br)ccc3s2)C1 ZINC001206723041 1371145526 /nfs/dbraw/zinc/14/55/26/1371145526.db2.gz LENMAUGLIHHTAB-UHFFFAOYSA-N 2 2 325.275 3.444 20 0 EGADLP c1coc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC001206728355 1371146826 /nfs/dbraw/zinc/14/68/26/1371146826.db2.gz VSEYNPLSSAEOGN-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP c1coc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC001206728355 1371146831 /nfs/dbraw/zinc/14/68/31/1371146831.db2.gz VSEYNPLSSAEOGN-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206808227 1371176299 /nfs/dbraw/zinc/17/62/99/1371176299.db2.gz JWPHNUYQOGGXRP-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206808227 1371176300 /nfs/dbraw/zinc/17/63/00/1371176300.db2.gz JWPHNUYQOGGXRP-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206969974 1371252565 /nfs/dbraw/zinc/25/25/65/1371252565.db2.gz VSKKMCHJMRSLPM-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP COc1cccc(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207572670 1371439456 /nfs/dbraw/zinc/43/94/56/1371439456.db2.gz BCSBVUUALOMUGN-LJQANCHMSA-N 2 2 326.440 3.485 20 0 EGADLP COc1cccc(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207572670 1371439458 /nfs/dbraw/zinc/43/94/58/1371439458.db2.gz BCSBVUUALOMUGN-LJQANCHMSA-N 2 2 326.440 3.485 20 0 EGADLP Fc1cccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207602665 1371449401 /nfs/dbraw/zinc/44/94/01/1371449401.db2.gz UALALYCNISNXGX-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207602665 1371449402 /nfs/dbraw/zinc/44/94/02/1371449402.db2.gz UALALYCNISNXGX-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207602665 1371449406 /nfs/dbraw/zinc/44/94/06/1371449406.db2.gz UALALYCNISNXGX-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207602665 1371449407 /nfs/dbraw/zinc/44/94/07/1371449407.db2.gz UALALYCNISNXGX-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001207621744 1371455284 /nfs/dbraw/zinc/45/52/84/1371455284.db2.gz JCKKYRRRBIMFEC-JQERWDHBSA-N 2 2 349.950 3.275 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001207621744 1371455288 /nfs/dbraw/zinc/45/52/88/1371455288.db2.gz JCKKYRRRBIMFEC-JQERWDHBSA-N 2 2 349.950 3.275 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625305 1371457212 /nfs/dbraw/zinc/45/72/12/1371457212.db2.gz OCZVTNVFWYTZGS-IGKNDFSCSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625305 1371457214 /nfs/dbraw/zinc/45/72/14/1371457214.db2.gz OCZVTNVFWYTZGS-IGKNDFSCSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625305 1371457215 /nfs/dbraw/zinc/45/72/15/1371457215.db2.gz OCZVTNVFWYTZGS-IGKNDFSCSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625305 1371457218 /nfs/dbraw/zinc/45/72/18/1371457218.db2.gz OCZVTNVFWYTZGS-IGKNDFSCSA-N 2 2 329.513 3.252 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120069238 1371477155 /nfs/dbraw/zinc/47/71/55/1371477155.db2.gz YUCRHXYPYARVRE-PLNGDYQASA-N 2 2 332.492 3.026 20 0 EGADLP c1[nH+]c2n(c1-c1ccccc1)CCC21CC[NH+](C[C@H]2CCCO2)CC1 ZINC001207853356 1371519577 /nfs/dbraw/zinc/51/95/77/1371519577.db2.gz NYLCPVHVNJUTJW-GOSISDBHSA-N 2 2 337.467 3.466 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1 ZINC001120560919 1371611038 /nfs/dbraw/zinc/61/10/38/1371611038.db2.gz KPSNYFCIUXATCA-NHCUHLMSSA-N 2 2 349.478 3.287 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164199 1371614919 /nfs/dbraw/zinc/61/49/19/1371614919.db2.gz ZCVXUVLLVUWLLO-HZPDHXFCSA-N 2 2 326.444 3.270 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164199 1371614922 /nfs/dbraw/zinc/61/49/22/1371614922.db2.gz ZCVXUVLLVUWLLO-HZPDHXFCSA-N 2 2 326.444 3.270 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001208386894 1371746885 /nfs/dbraw/zinc/74/68/85/1371746885.db2.gz KDHVQAUOHJRASF-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845201 /nfs/dbraw/zinc/84/52/01/1371845201.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845205 /nfs/dbraw/zinc/84/52/05/1371845205.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845210 /nfs/dbraw/zinc/84/52/10/1371845210.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619079 1371845212 /nfs/dbraw/zinc/84/52/12/1371845212.db2.gz VDIBZKDGPQZATG-FCHUYYIVSA-N 3 2 341.543 3.316 20 0 EGADLP O=c1[nH]ccc2c1CC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208943748 1371957684 /nfs/dbraw/zinc/95/76/84/1371957684.db2.gz NKLUZRIKLRYFMR-SFHVURJKSA-N 2 2 337.467 3.058 20 0 EGADLP O=c1[nH]ccc2c1CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208943748 1371957688 /nfs/dbraw/zinc/95/76/88/1371957688.db2.gz NKLUZRIKLRYFMR-SFHVURJKSA-N 2 2 337.467 3.058 20 0 EGADLP O=c1[nH]ccc2c1CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208943748 1371957692 /nfs/dbraw/zinc/95/76/92/1371957692.db2.gz NKLUZRIKLRYFMR-SFHVURJKSA-N 2 2 337.467 3.058 20 0 EGADLP O=c1[nH]ccc2c1CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208943748 1371957696 /nfs/dbraw/zinc/95/76/96/1371957696.db2.gz NKLUZRIKLRYFMR-SFHVURJKSA-N 2 2 337.467 3.058 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1C[C@@H](C)O[C@H](C)C1)[C@H]2C ZINC001209378266 1372082032 /nfs/dbraw/zinc/08/20/32/1372082032.db2.gz COGOVRIOMHSENI-ZACQAIPSSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1C[C@@H](C)O[C@H](C)C1)[C@H]2C ZINC001209378266 1372082035 /nfs/dbraw/zinc/08/20/35/1372082035.db2.gz COGOVRIOMHSENI-ZACQAIPSSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1C[C@@H](C)O[C@H](C)C1)[C@H]2C ZINC001209378266 1372082044 /nfs/dbraw/zinc/08/20/44/1372082044.db2.gz COGOVRIOMHSENI-ZACQAIPSSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1C[C@@H](C)O[C@H](C)C1)[C@H]2C ZINC001209378266 1372082047 /nfs/dbraw/zinc/08/20/47/1372082047.db2.gz COGOVRIOMHSENI-ZACQAIPSSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC1C[C@@H](C)O[C@H](C)C1)CC2 ZINC001209382866 1372084910 /nfs/dbraw/zinc/08/49/10/1372084910.db2.gz STJWEGKKXMXWBZ-HZPDHXFCSA-N 2 2 348.535 3.087 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC1C[C@@H](C)O[C@H](C)C1)CC2 ZINC001209382866 1372084914 /nfs/dbraw/zinc/08/49/14/1372084914.db2.gz STJWEGKKXMXWBZ-HZPDHXFCSA-N 2 2 348.535 3.087 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001209494778 1372120704 /nfs/dbraw/zinc/12/07/04/1372120704.db2.gz KAEDWEZCBDASER-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP Cn1nc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2ccccc21 ZINC001209581614 1372142386 /nfs/dbraw/zinc/14/23/86/1372142386.db2.gz NUZGGNUTNGYWRT-KRWDZBQOSA-N 2 2 326.488 3.414 20 0 EGADLP Cn1nc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2ccccc21 ZINC001209581614 1372142390 /nfs/dbraw/zinc/14/23/90/1372142390.db2.gz NUZGGNUTNGYWRT-KRWDZBQOSA-N 2 2 326.488 3.414 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3cc(Cl)ccc3[nH]1)CC2 ZINC001209719209 1372177305 /nfs/dbraw/zinc/17/73/05/1372177305.db2.gz JKPVBGTURUJLCJ-UHFFFAOYSA-N 2 2 346.862 3.451 20 0 EGADLP COc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1N1CC[NH+](C)CC1 ZINC001209851271 1372213181 /nfs/dbraw/zinc/21/31/81/1372213181.db2.gz QYVSBQXGUQFDNP-UHFFFAOYSA-N 2 2 337.427 3.067 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001209866059 1372217208 /nfs/dbraw/zinc/21/72/08/1372217208.db2.gz NJFYUSHJIOUQHA-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3cccc4cc[nH+]cc43)cc2CO)CC1 ZINC001210231279 1372300047 /nfs/dbraw/zinc/30/00/47/1372300047.db2.gz OBVOSYHRDWMDAP-UHFFFAOYSA-N 2 2 348.450 3.223 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@H](C)CC3)o2)cc1 ZINC001210475066 1372361749 /nfs/dbraw/zinc/36/17/49/1372361749.db2.gz KUJBMGCPVQRHAJ-OAHLLOKOSA-N 2 2 342.439 3.307 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@H](C)CC3)o2)cc1 ZINC001210475066 1372361752 /nfs/dbraw/zinc/36/17/52/1372361752.db2.gz KUJBMGCPVQRHAJ-OAHLLOKOSA-N 2 2 342.439 3.307 20 0 EGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C[NH2+]C)cc1 ZINC001211130513 1372488552 /nfs/dbraw/zinc/48/85/52/1372488552.db2.gz UPVWJRHIXFWDSI-UHFFFAOYSA-N 2 2 337.427 3.301 20 0 EGADLP CCCc1cc[nH+]c(Nc2ccc(N3CC[NH2+]CC3)cc2OC)c1 ZINC001213891385 1372974697 /nfs/dbraw/zinc/97/46/97/1372974697.db2.gz IFZQCKQVNXJYKL-UHFFFAOYSA-N 2 2 326.444 3.196 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C2)c(C)[nH+]1 ZINC001215189966 1373184546 /nfs/dbraw/zinc/18/45/46/1373184546.db2.gz MVWPQSDKLLEQOR-CRAIPNDOSA-N 2 2 331.504 3.493 20 0 EGADLP Cc1ccc(C[NH3+])cc1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001217098419 1373386891 /nfs/dbraw/zinc/38/68/91/1373386891.db2.gz IXBKRBQPUPCDFQ-UHFFFAOYSA-N 2 2 331.379 3.356 20 0 EGADLP C[N@H+](CC(=O)c1cccc(OC2CC[NH2+]CC2)c1)Cc1ccccc1 ZINC001217964235 1373521288 /nfs/dbraw/zinc/52/12/88/1373521288.db2.gz OCUSBRPWNOYAKM-UHFFFAOYSA-N 2 2 338.451 3.132 20 0 EGADLP C[N@@H+](CC(=O)c1cccc(OC2CC[NH2+]CC2)c1)Cc1ccccc1 ZINC001217964235 1373521291 /nfs/dbraw/zinc/52/12/91/1373521291.db2.gz OCUSBRPWNOYAKM-UHFFFAOYSA-N 2 2 338.451 3.132 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001218787690 1373654341 /nfs/dbraw/zinc/65/43/41/1373654341.db2.gz JFRFHVKGQDMECO-UHFFFAOYSA-N 2 2 334.423 3.129 20 0 EGADLP CCn1c2ccccc2c2cc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)ccc21 ZINC001218911587 1373666852 /nfs/dbraw/zinc/66/68/52/1373666852.db2.gz AANPIBVQQWKYAX-QGZVFWFLSA-N 2 2 347.422 3.046 20 0 EGADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC001218988853 1373674915 /nfs/dbraw/zinc/67/49/15/1373674915.db2.gz LWODRUBEJXWSAP-KRWDZBQOSA-N 2 2 345.406 3.067 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132023884 1375103749 /nfs/dbraw/zinc/10/37/49/1375103749.db2.gz BOFDNCKIHNKGCB-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132023884 1375103754 /nfs/dbraw/zinc/10/37/54/1375103754.db2.gz BOFDNCKIHNKGCB-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125539 1375158933 /nfs/dbraw/zinc/15/89/33/1375158933.db2.gz WBIXJMBKXDXADO-BTFXCVNISA-N 2 2 346.519 3.252 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125539 1375158935 /nfs/dbraw/zinc/15/89/35/1375158935.db2.gz WBIXJMBKXDXADO-BTFXCVNISA-N 2 2 346.519 3.252 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132221088 1375217945 /nfs/dbraw/zinc/21/79/45/1375217945.db2.gz BTZKEWGCCQJNDJ-SJORKVTESA-N 2 2 334.508 3.069 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132221088 1375217952 /nfs/dbraw/zinc/21/79/52/1375217952.db2.gz BTZKEWGCCQJNDJ-SJORKVTESA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1=CCCCC1 ZINC001132221461 1375218064 /nfs/dbraw/zinc/21/80/64/1375218064.db2.gz IMXHCLBYSNNGKJ-HKUYNNGSSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1=CCCCC1 ZINC001132221461 1375218067 /nfs/dbraw/zinc/21/80/67/1375218067.db2.gz IMXHCLBYSNNGKJ-HKUYNNGSSA-N 2 2 344.503 3.133 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]C/C=C\Cl)ccn12 ZINC001226251269 1375227524 /nfs/dbraw/zinc/22/75/24/1375227524.db2.gz NZMPAGPYXAVFHL-COXDATCZSA-N 2 2 346.862 3.026 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529636 1375589206 /nfs/dbraw/zinc/58/92/06/1375589206.db2.gz WVOSOVSUXLSPOF-ARFHVFGLSA-N 2 2 332.492 3.037 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cccc3c2OCCO3)C2CCCC2)CC1 ZINC001231888980 1376335750 /nfs/dbraw/zinc/33/57/50/1376335750.db2.gz XOEUZBNTSZUWAQ-UHFFFAOYSA-N 2 2 330.472 3.297 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cccc3c2OCCO3)C2CCCC2)CC1 ZINC001231888980 1376335756 /nfs/dbraw/zinc/33/57/56/1376335756.db2.gz XOEUZBNTSZUWAQ-UHFFFAOYSA-N 2 2 330.472 3.297 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001232016396 1376386966 /nfs/dbraw/zinc/38/69/66/1376386966.db2.gz XDJICONSMBVUJS-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001232016396 1376386971 /nfs/dbraw/zinc/38/69/71/1376386971.db2.gz XDJICONSMBVUJS-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cnn(C)c2-c2ccc(OC)cc2)CC1 ZINC001232113974 1376400615 /nfs/dbraw/zinc/40/06/15/1376400615.db2.gz QGDXYPUTOCZPOB-UHFFFAOYSA-N 2 2 342.487 3.012 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnn(C)c2-c2ccc(OC)cc2)CC1 ZINC001232113974 1376400618 /nfs/dbraw/zinc/40/06/18/1376400618.db2.gz QGDXYPUTOCZPOB-UHFFFAOYSA-N 2 2 342.487 3.012 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cn3cc(F)ccc3n2)C2CCCC2)CC1 ZINC001232414695 1376458248 /nfs/dbraw/zinc/45/82/48/1376458248.db2.gz HDYYGFKAQNBLKD-UHFFFAOYSA-N 2 2 330.451 3.312 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cn3cc(F)ccc3n2)C2CCCC2)CC1 ZINC001232414695 1376458255 /nfs/dbraw/zinc/45/82/55/1376458255.db2.gz HDYYGFKAQNBLKD-UHFFFAOYSA-N 2 2 330.451 3.312 20 0 EGADLP Nc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232511812 1376472832 /nfs/dbraw/zinc/47/28/32/1376472832.db2.gz RZBVGMAQLGZHGW-PKOBYXMFSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232511812 1376472835 /nfs/dbraw/zinc/47/28/35/1376472835.db2.gz RZBVGMAQLGZHGW-PKOBYXMFSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511812 1376472839 /nfs/dbraw/zinc/47/28/39/1376472839.db2.gz RZBVGMAQLGZHGW-PKOBYXMFSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511812 1376472843 /nfs/dbraw/zinc/47/28/43/1376472843.db2.gz RZBVGMAQLGZHGW-PKOBYXMFSA-N 2 2 339.458 3.362 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403808 1376512532 /nfs/dbraw/zinc/51/25/32/1376512532.db2.gz UHXDTKSMBLNPOL-IAGOWNOFSA-N 2 2 348.535 3.071 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cnc1C ZINC001233158465 1376576885 /nfs/dbraw/zinc/57/68/85/1376576885.db2.gz IKHMJJWSSRMAFH-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP COc1cc(F)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1F ZINC001233342195 1376623374 /nfs/dbraw/zinc/62/33/74/1376623374.db2.gz RHDCQKHHPYMHRE-UHFFFAOYSA-N 2 2 347.409 3.416 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC2CCC2)c[nH+]1 ZINC001134728837 1376681093 /nfs/dbraw/zinc/68/10/93/1376681093.db2.gz CMVMADGAKDLEBN-CVEARBPZSA-N 2 2 348.535 3.380 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739833 1376688769 /nfs/dbraw/zinc/68/87/69/1376688769.db2.gz KLLIXMJJXMDVFQ-UONOGXRCSA-N 2 2 330.476 3.486 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739738 1376689145 /nfs/dbraw/zinc/68/91/45/1376689145.db2.gz JHADPJLRETYTNB-STQMWFEESA-N 2 2 342.468 3.311 20 0 EGADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235040208 1376837983 /nfs/dbraw/zinc/83/79/83/1376837983.db2.gz RHXHEBXEYDFPLQ-GOSISDBHSA-N 2 2 336.863 3.235 20 0 EGADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1 ZINC001235040208 1376837991 /nfs/dbraw/zinc/83/79/91/1376837991.db2.gz RHXHEBXEYDFPLQ-GOSISDBHSA-N 2 2 336.863 3.235 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccns2)c(C)[nH+]1 ZINC001135042906 1376863753 /nfs/dbraw/zinc/86/37/53/1376863753.db2.gz DLOWHEONAAWNHZ-JSGCOSHPSA-N 2 2 346.500 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOC2CCC2)c(C)[nH+]1 ZINC001135042973 1376865284 /nfs/dbraw/zinc/86/52/84/1376865284.db2.gz FGEWOAZOVIJVPY-ZBFHGGJFSA-N 2 2 347.503 3.062 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC1CCCC1 ZINC001235273438 1376865223 /nfs/dbraw/zinc/86/52/23/1376865223.db2.gz STMIBEULXALWIB-FUHWJXTLSA-N 2 2 330.472 3.200 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC1CCCC1 ZINC001235273438 1376865228 /nfs/dbraw/zinc/86/52/28/1376865228.db2.gz STMIBEULXALWIB-FUHWJXTLSA-N 2 2 330.472 3.200 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001135044379 1376865638 /nfs/dbraw/zinc/86/56/38/1376865638.db2.gz TWXMMZIWCJVOAY-YPMHNXCESA-N 2 2 345.409 3.446 20 0 EGADLP Fc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(F)c(F)c1F ZINC001235702028 1376885781 /nfs/dbraw/zinc/88/57/81/1376885781.db2.gz GYPGQRDTKKPUKU-UHFFFAOYSA-N 2 2 330.369 3.455 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4)c(F)c3)C[C@@H]2C1 ZINC001235773725 1376892915 /nfs/dbraw/zinc/89/29/15/1376892915.db2.gz GAUHBVVTDAGKLZ-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccccc4)c(F)c3)C[C@@H]2C1 ZINC001235773725 1376892925 /nfs/dbraw/zinc/89/29/25/1376892925.db2.gz GAUHBVVTDAGKLZ-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)c(F)c3)C[C@@H]2C1 ZINC001235773725 1376892931 /nfs/dbraw/zinc/89/29/31/1376892931.db2.gz GAUHBVVTDAGKLZ-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccccc4)c(F)c3)C[C@@H]2C1 ZINC001235773725 1376892940 /nfs/dbraw/zinc/89/29/40/1376892940.db2.gz GAUHBVVTDAGKLZ-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)c4c[nH]nc43)c2)C1 ZINC001244398499 1377036731 /nfs/dbraw/zinc/03/67/31/1377036731.db2.gz GJHOHOAIBNMBSZ-CQSZACIVSA-N 2 2 326.831 3.416 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)c4c[nH]nc43)c2)C1 ZINC001244398499 1377036733 /nfs/dbraw/zinc/03/67/33/1377036733.db2.gz GJHOHOAIBNMBSZ-CQSZACIVSA-N 2 2 326.831 3.416 20 0 EGADLP COc1ccc2cc(CC[C@H](C)[NH2+][C@H](C)[C@H]3C[NH2+]CCO3)ccc2c1 ZINC001246292603 1377051092 /nfs/dbraw/zinc/05/10/92/1377051092.db2.gz KQXAURHIYISLTQ-GCKMJXCFSA-N 2 2 342.483 3.136 20 0 EGADLP CCCC[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380425 1377051610 /nfs/dbraw/zinc/05/16/10/1377051610.db2.gz HCGJRZVKWWOWKV-OALUTQOASA-N 3 2 347.522 3.391 20 0 EGADLP C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547046 1377052232 /nfs/dbraw/zinc/05/22/32/1377052232.db2.gz ALBZHMALEPJXTI-FJWRRNOESA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547046 1377052235 /nfs/dbraw/zinc/05/22/35/1377052235.db2.gz ALBZHMALEPJXTI-FJWRRNOESA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547046 1377052237 /nfs/dbraw/zinc/05/22/37/1377052237.db2.gz ALBZHMALEPJXTI-FJWRRNOESA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547046 1377052240 /nfs/dbraw/zinc/05/22/40/1377052240.db2.gz ALBZHMALEPJXTI-FJWRRNOESA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547047 1377052660 /nfs/dbraw/zinc/05/26/60/1377052660.db2.gz ALBZHMALEPJXTI-LXZJYRNTSA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC001246547047 1377052663 /nfs/dbraw/zinc/05/26/63/1377052663.db2.gz ALBZHMALEPJXTI-LXZJYRNTSA-N 3 2 329.532 3.345 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798106 1377213518 /nfs/dbraw/zinc/21/35/18/1377213518.db2.gz BBTSFXJQFLJDSQ-LSDHHAIUSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840140 1377228289 /nfs/dbraw/zinc/22/82/89/1377228289.db2.gz DBCURLDJVYQOSI-CVEARBPZSA-N 2 2 328.460 3.015 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840928 1377228895 /nfs/dbraw/zinc/22/88/95/1377228895.db2.gz RLVVRVOYDQANCL-DLBZAZTESA-N 2 2 340.471 3.325 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001136031782 1377305540 /nfs/dbraw/zinc/30/55/40/1377305540.db2.gz PWWOURHDOPWCOC-CABCVRRESA-N 2 2 334.508 3.104 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc3c(cccc3Cl)[nH]1)CC2 ZINC001136859247 1377431215 /nfs/dbraw/zinc/43/12/15/1377431215.db2.gz HPNHUQVUYMMTFB-UHFFFAOYSA-N 2 2 346.862 3.451 20 0 EGADLP COC(=O)CCc1c(C)[nH]c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001136923367 1377439954 /nfs/dbraw/zinc/43/99/54/1377439954.db2.gz PFCPKIQTVMYIOM-UHFFFAOYSA-N 2 2 349.519 3.042 20 0 EGADLP COC(=O)CCc1c(C)[nH]c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001136923367 1377439957 /nfs/dbraw/zinc/43/99/57/1377439957.db2.gz PFCPKIQTVMYIOM-UHFFFAOYSA-N 2 2 349.519 3.042 20 0 EGADLP COc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC001137006251 1377456174 /nfs/dbraw/zinc/45/61/74/1377456174.db2.gz KPHLDNJAIACLQS-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1C ZINC001137006251 1377456175 /nfs/dbraw/zinc/45/61/75/1377456175.db2.gz KPHLDNJAIACLQS-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C ZINC001137006251 1377456177 /nfs/dbraw/zinc/45/61/77/1377456177.db2.gz KPHLDNJAIACLQS-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001137006251 1377456178 /nfs/dbraw/zinc/45/61/78/1377456178.db2.gz KPHLDNJAIACLQS-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)[nH]nc21 ZINC001137148196 1377486253 /nfs/dbraw/zinc/48/62/53/1377486253.db2.gz VNKFGYKLRQUMKG-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@H]3C2)cc1 ZINC001137349887 1377529115 /nfs/dbraw/zinc/52/91/15/1377529115.db2.gz SBMQNTFGSZSAEI-QZTJIDSGSA-N 2 2 332.451 3.127 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5ncccc45)C[C@H]3C2)c1 ZINC001137625024 1377575109 /nfs/dbraw/zinc/57/51/09/1377575109.db2.gz GUWRENSQGOUOFV-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001271227530 1377623908 /nfs/dbraw/zinc/62/39/08/1377623908.db2.gz OHTYADPPTFLFFC-ROUUACIJSA-N 2 2 342.487 3.169 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@@H]3C2)nc1 ZINC001138107261 1377678223 /nfs/dbraw/zinc/67/82/23/1377678223.db2.gz OCZKDTOFKFDQFK-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP CCc1cccc2c(C[N@H+](CCOC)C3CC[NH+](C)CC3)c[nH]c21 ZINC001138361531 1377709185 /nfs/dbraw/zinc/70/91/85/1377709185.db2.gz PIMSHVZZQGVRJC-UHFFFAOYSA-N 2 2 329.488 3.273 20 0 EGADLP CCc1cccc2c(C[N@@H+](CCOC)C3CC[NH+](C)CC3)c[nH]c21 ZINC001138361531 1377709187 /nfs/dbraw/zinc/70/91/87/1377709187.db2.gz PIMSHVZZQGVRJC-UHFFFAOYSA-N 2 2 329.488 3.273 20 0 EGADLP Cc1ccc2[nH]c(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001138415640 1377720631 /nfs/dbraw/zinc/72/06/31/1377720631.db2.gz KDUPEVILMQYHLY-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]c(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001138415640 1377720633 /nfs/dbraw/zinc/72/06/33/1377720633.db2.gz KDUPEVILMQYHLY-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001138415640 1377720636 /nfs/dbraw/zinc/72/06/36/1377720636.db2.gz KDUPEVILMQYHLY-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001138415640 1377720638 /nfs/dbraw/zinc/72/06/38/1377720638.db2.gz KDUPEVILMQYHLY-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP COC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCCC1 ZINC001138549371 1377740253 /nfs/dbraw/zinc/74/02/53/1377740253.db2.gz VMHPOAVVLDZWEL-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCCC1 ZINC001138549371 1377740255 /nfs/dbraw/zinc/74/02/55/1377740255.db2.gz VMHPOAVVLDZWEL-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP CCN(CC[NH+]1CCCCC1)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549078 1377740316 /nfs/dbraw/zinc/74/03/16/1377740316.db2.gz QKJDWGMGXPNJPY-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138578466 1377746750 /nfs/dbraw/zinc/74/67/50/1377746750.db2.gz LJPHSNOMWREFRF-RTBURBONSA-N 2 2 338.499 3.271 20 0 EGADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001139139923 1377837334 /nfs/dbraw/zinc/83/73/34/1377837334.db2.gz BZZHOUYCCZYZQH-HZPDHXFCSA-N 2 2 344.480 3.026 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)nc(C)[nH+]1 ZINC001139338303 1377870678 /nfs/dbraw/zinc/87/06/78/1377870678.db2.gz WAXAYLPCKMMFPG-UHFFFAOYSA-N 2 2 348.450 3.274 20 0 EGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360239 1377874256 /nfs/dbraw/zinc/87/42/56/1377874256.db2.gz NTQRFPQTKIUYKT-UHFFFAOYSA-N 3 2 326.488 3.425 20 0 EGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360239 1377874257 /nfs/dbraw/zinc/87/42/57/1377874257.db2.gz NTQRFPQTKIUYKT-UHFFFAOYSA-N 3 2 326.488 3.425 20 0 EGADLP COCC[N@H+](Cc1ccc(-c2ccsc2)nc1)C1CC[NH+](C)CC1 ZINC001139499765 1377893722 /nfs/dbraw/zinc/89/37/22/1377893722.db2.gz ZLJJGEDULJXJFF-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP COCC[N@@H+](Cc1ccc(-c2ccsc2)nc1)C1CC[NH+](C)CC1 ZINC001139499765 1377893725 /nfs/dbraw/zinc/89/37/25/1377893725.db2.gz ZLJJGEDULJXJFF-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP CCOc1ccc(C)cc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001139604029 1377916341 /nfs/dbraw/zinc/91/63/41/1377916341.db2.gz MPOSXFCNYCIPDG-UHFFFAOYSA-N 2 2 331.460 3.024 20 0 EGADLP c1ccc2c(c1)cncc2C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001139894180 1377974524 /nfs/dbraw/zinc/97/45/24/1377974524.db2.gz NIOXHWIGPVPJQL-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001140026586 1377991670 /nfs/dbraw/zinc/99/16/70/1377991670.db2.gz MXRBOGQVOPPRQT-HXUWFJFHSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001140026586 1377991671 /nfs/dbraw/zinc/99/16/71/1377991671.db2.gz MXRBOGQVOPPRQT-HXUWFJFHSA-N 2 2 334.423 3.149 20 0 EGADLP CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C[C@@H]21 ZINC001140026463 1377991975 /nfs/dbraw/zinc/99/19/75/1377991975.db2.gz YJJKBCCXDRXYOJ-IMFGXOCKSA-N 2 2 325.456 3.428 20 0 EGADLP CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C[C@@H]21 ZINC001140026463 1377991976 /nfs/dbraw/zinc/99/19/76/1377991976.db2.gz YJJKBCCXDRXYOJ-IMFGXOCKSA-N 2 2 325.456 3.428 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001140027343 1377992521 /nfs/dbraw/zinc/99/25/21/1377992521.db2.gz JFEBAESKSMTKGG-UHFFFAOYSA-N 3 2 347.466 3.206 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5ccncc54)C[C@H]3C2)nc1 ZINC001140643251 1378103816 /nfs/dbraw/zinc/10/38/16/1378103816.db2.gz PXBGXCKGUVYNFU-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3cc(C)c(O)c(C)c3)CC2)CC1 ZINC001140659414 1378108133 /nfs/dbraw/zinc/10/81/33/1378108133.db2.gz AKFLDOZQBJSKEY-UHFFFAOYSA-N 2 2 332.488 3.084 20 0 EGADLP CS[C@@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001276470723 1378174940 /nfs/dbraw/zinc/17/49/40/1378174940.db2.gz QQZDRILUWAPKCA-OKZBNKHCSA-N 3 2 336.549 3.049 20 0 EGADLP COc1ccsc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141321149 1378301483 /nfs/dbraw/zinc/30/14/83/1378301483.db2.gz WZQSCVATYGRZDZ-SFHVURJKSA-N 2 2 338.517 3.080 20 0 EGADLP COc1ccsc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141321149 1378301485 /nfs/dbraw/zinc/30/14/85/1378301485.db2.gz WZQSCVATYGRZDZ-SFHVURJKSA-N 2 2 338.517 3.080 20 0 EGADLP COc1ccsc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001141321149 1378301486 /nfs/dbraw/zinc/30/14/86/1378301486.db2.gz WZQSCVATYGRZDZ-SFHVURJKSA-N 2 2 338.517 3.080 20 0 EGADLP COc1ccsc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001141321149 1378301488 /nfs/dbraw/zinc/30/14/88/1378301488.db2.gz WZQSCVATYGRZDZ-SFHVURJKSA-N 2 2 338.517 3.080 20 0 EGADLP c1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449242 1378308838 /nfs/dbraw/zinc/30/88/38/1378308838.db2.gz BJNLSOSNHSHEGG-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449242 1378308841 /nfs/dbraw/zinc/30/88/41/1378308841.db2.gz BJNLSOSNHSHEGG-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449242 1378308845 /nfs/dbraw/zinc/30/88/45/1378308845.db2.gz BJNLSOSNHSHEGG-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449242 1378308846 /nfs/dbraw/zinc/30/88/46/1378308846.db2.gz BJNLSOSNHSHEGG-NRFANRHFSA-N 2 2 349.482 3.379 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611876 1378350896 /nfs/dbraw/zinc/35/08/96/1378350896.db2.gz KYJLASPJPFEJAI-KBPBESRZSA-N 2 2 328.378 3.098 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001142603107 1378463336 /nfs/dbraw/zinc/46/33/36/1378463336.db2.gz IHOYZDPIDFWRQC-UHFFFAOYSA-N 2 2 330.472 3.314 20 0 EGADLP C[N@H+](Cc1nccnc1-c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001142964003 1378518165 /nfs/dbraw/zinc/51/81/65/1378518165.db2.gz YGWPBGUDEOOWLN-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP C[N@@H+](Cc1nccnc1-c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001142964003 1378518166 /nfs/dbraw/zinc/51/81/66/1378518166.db2.gz YGWPBGUDEOOWLN-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP c1cn2cc(C[NH+]3CCC4(CC3)OCCc3ccccc34)ccc2[nH+]1 ZINC001143026580 1378528443 /nfs/dbraw/zinc/52/84/43/1378528443.db2.gz ALOBKWHTFQQNDA-UHFFFAOYSA-N 2 2 333.435 3.398 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccc2[nH+]ccn2c1 ZINC001143035126 1378530376 /nfs/dbraw/zinc/53/03/76/1378530376.db2.gz DIZXWSDYCABXFI-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1ccc2[nH+]ccn2c1 ZINC001143035126 1378530388 /nfs/dbraw/zinc/53/03/88/1378530388.db2.gz DIZXWSDYCABXFI-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP COc1cc(C)cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143151853 1378548320 /nfs/dbraw/zinc/54/83/20/1378548320.db2.gz AVIFJFJWYGCRER-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143151853 1378548323 /nfs/dbraw/zinc/54/83/23/1378548323.db2.gz AVIFJFJWYGCRER-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001143151853 1378548326 /nfs/dbraw/zinc/54/83/26/1378548326.db2.gz AVIFJFJWYGCRER-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001143151853 1378548328 /nfs/dbraw/zinc/54/83/28/1378548328.db2.gz AVIFJFJWYGCRER-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(F)cc1Br ZINC001144583925 1378747902 /nfs/dbraw/zinc/74/79/02/1378747902.db2.gz OOGPURSCCSYUHI-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(F)cc1Br ZINC001144583925 1378747903 /nfs/dbraw/zinc/74/79/03/1378747903.db2.gz OOGPURSCCSYUHI-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)cc1Br ZINC001144583925 1378747904 /nfs/dbraw/zinc/74/79/04/1378747904.db2.gz OOGPURSCCSYUHI-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(F)cc1Br ZINC001144583925 1378747905 /nfs/dbraw/zinc/74/79/05/1378747905.db2.gz OOGPURSCCSYUHI-OCCSQVGLSA-N 2 2 341.268 3.280 20 0 EGADLP Fc1ccc(C[N@@H+]2CCCN(Cc3[nH+]cn4ccccc34)CC2)cc1 ZINC001144624829 1378752534 /nfs/dbraw/zinc/75/25/34/1378752534.db2.gz SDLMAAPEXKPWJS-UHFFFAOYSA-N 2 2 338.430 3.181 20 0 EGADLP Fc1ccc(C[N@H+]2CCCN(Cc3[nH+]cn4ccccc34)CC2)cc1 ZINC001144624829 1378752537 /nfs/dbraw/zinc/75/25/37/1378752537.db2.gz SDLMAAPEXKPWJS-UHFFFAOYSA-N 2 2 338.430 3.181 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712895 1378905164 /nfs/dbraw/zinc/90/51/64/1378905164.db2.gz FZYORRCXRJPJFA-DLBZAZTESA-N 2 2 334.508 3.117 20 0 EGADLP C[C@@H]1CN(C(=O)c2c[nH]c3cc[nH+]cc23)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001152969626 1379999889 /nfs/dbraw/zinc/99/98/89/1379999889.db2.gz ZNCPGDYXTQBIGY-CVEARBPZSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@@H]1CN(C(=O)c2c[nH]c3cc[nH+]cc23)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001152969626 1379999890 /nfs/dbraw/zinc/99/98/90/1379999890.db2.gz ZNCPGDYXTQBIGY-CVEARBPZSA-N 2 2 348.450 3.298 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284631500 1380035856 /nfs/dbraw/zinc/03/58/56/1380035856.db2.gz NXPYIHHTCQDUSJ-KRWDZBQOSA-N 2 2 334.508 3.043 20 0 EGADLP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361648 1380064145 /nfs/dbraw/zinc/06/41/45/1380064145.db2.gz CVFIFKBTYKGWST-HUUCEWRRSA-N 2 2 330.476 3.129 20 0 EGADLP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361648 1380064147 /nfs/dbraw/zinc/06/41/47/1380064147.db2.gz CVFIFKBTYKGWST-HUUCEWRRSA-N 2 2 330.476 3.129 20 0 EGADLP CC[NH2+]C1(CNC(=O)CCC(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001284731925 1380151283 /nfs/dbraw/zinc/15/12/83/1380151283.db2.gz SSVJJQQIJPXYEG-UHFFFAOYSA-N 2 2 345.531 3.183 20 0 EGADLP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930105 1380157242 /nfs/dbraw/zinc/15/72/42/1380157242.db2.gz GWPZQYDPNHZUDY-YCZSJOHXSA-N 2 2 340.899 3.049 20 0 EGADLP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930105 1380157243 /nfs/dbraw/zinc/15/72/43/1380157243.db2.gz GWPZQYDPNHZUDY-YCZSJOHXSA-N 2 2 340.899 3.049 20 0 EGADLP C[NH+](C)C1(CNc2cc(Cl)nc3ccsc32)CC[NH+](C)CC1 ZINC001156181493 1380537800 /nfs/dbraw/zinc/53/78/00/1380537800.db2.gz DGSMGOLTGHAJQV-UHFFFAOYSA-N 2 2 338.908 3.388 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)C ZINC001158794898 1381402903 /nfs/dbraw/zinc/40/29/03/1381402903.db2.gz VIGPXPYYQCFHGP-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001158794898 1381402906 /nfs/dbraw/zinc/40/29/06/1381402906.db2.gz VIGPXPYYQCFHGP-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP Brc1c[nH+]c2ccc(Nc3ccc4c(c3)C[NH2+]C4)cn12 ZINC001159226972 1381736910 /nfs/dbraw/zinc/73/69/10/1381736910.db2.gz BSDJROBXIAPNET-UHFFFAOYSA-N 2 2 329.201 3.444 20 0 EGADLP CCc1cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)ccc1OC ZINC001159322883 1381762224 /nfs/dbraw/zinc/76/22/24/1381762224.db2.gz BIMOUNOYJPZRII-UHFFFAOYSA-N 2 2 326.444 3.324 20 0 EGADLP CCCc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc(C)[nH+]1 ZINC001159545765 1381823768 /nfs/dbraw/zinc/82/37/68/1381823768.db2.gz NFWFHULCQFIFBO-UHFFFAOYSA-N 2 2 328.504 3.471 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328436226 1388745333 /nfs/dbraw/zinc/74/53/33/1388745333.db2.gz FUXRBHZLZBFPEW-MRXNPFEDSA-N 2 2 336.863 3.020 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328436226 1388745337 /nfs/dbraw/zinc/74/53/37/1388745337.db2.gz FUXRBHZLZBFPEW-MRXNPFEDSA-N 2 2 336.863 3.020 20 0 EGADLP CNc1ccc(N(c2ccc(Cl)cc2N)C2CC[NH2+]CC2)c[nH+]1 ZINC001160288346 1382063032 /nfs/dbraw/zinc/06/30/32/1382063032.db2.gz BTPNVMLPQNMGAS-UHFFFAOYSA-N 2 2 331.851 3.249 20 0 EGADLP O=C(NCCC1=CC[N@H+](C/C=C/Cl)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160491617 1382120867 /nfs/dbraw/zinc/12/08/67/1382120867.db2.gz HHECWZNEFHSSOP-LZCJLJQNSA-N 2 2 344.846 3.067 20 0 EGADLP O=C(NCCC1=CC[N@@H+](C/C=C/Cl)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160491617 1382120872 /nfs/dbraw/zinc/12/08/72/1382120872.db2.gz HHECWZNEFHSSOP-LZCJLJQNSA-N 2 2 344.846 3.067 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001293590303 1382309240 /nfs/dbraw/zinc/30/92/40/1382309240.db2.gz MXEMFCQJFGOLNH-GFCCVEGCSA-N 2 2 334.379 3.151 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001293591213 1382309359 /nfs/dbraw/zinc/30/93/59/1382309359.db2.gz PYBMMENDVUONMO-LBPRGKRZSA-N 2 2 334.379 3.151 20 0 EGADLP Cc1nc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)cc(C2CCCCC2)[nH+]1 ZINC001161281144 1382359299 /nfs/dbraw/zinc/35/92/99/1382359299.db2.gz MKYJQPDIRNBTQZ-QAQDUYKDSA-N 2 2 344.503 3.308 20 0 EGADLP CC(C)[N@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627967 1382464607 /nfs/dbraw/zinc/46/46/07/1382464607.db2.gz YFDVUQURMRAOTH-UHFFFAOYSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)[N@@H+]1CC=C(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001161627967 1382464610 /nfs/dbraw/zinc/46/46/10/1382464610.db2.gz YFDVUQURMRAOTH-UHFFFAOYSA-N 2 2 338.455 3.033 20 0 EGADLP O=C(NCCC[NH2+]Cc1ccc(C2CC2)cc1)c1cccc2[nH+]ccn21 ZINC001162433275 1382758319 /nfs/dbraw/zinc/75/83/19/1382758319.db2.gz UWWFMBOTDXEVMZ-UHFFFAOYSA-N 2 2 348.450 3.121 20 0 EGADLP F[C@H]1C[NH2+]CC[C@H]1CNc1[nH+]cnc2[nH]c3ccc(Cl)cc3c21 ZINC001162805135 1382878535 /nfs/dbraw/zinc/87/85/35/1382878535.db2.gz KVHMMMAOTHAOAW-CABZTGNLSA-N 2 2 333.798 3.124 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(CF)cc2)c(C)[nH+]1 ZINC001162909581 1382912626 /nfs/dbraw/zinc/91/26/26/1382912626.db2.gz ARGSZFMNBZSJOM-UHFFFAOYSA-N 2 2 343.446 3.386 20 0 EGADLP Cc1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]c2c1cccc2C(C)C ZINC001163102657 1382965757 /nfs/dbraw/zinc/96/57/57/1382965757.db2.gz YNIQUABEFIUWBV-ZTFGCOKTSA-N 2 2 325.456 3.313 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@@H](C)C1 ZINC001163372804 1383035559 /nfs/dbraw/zinc/03/55/59/1383035559.db2.gz WPIOZEDUHHJLJJ-IXDOHACOSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@@H](C)C1 ZINC001163372804 1383035562 /nfs/dbraw/zinc/03/55/62/1383035562.db2.gz WPIOZEDUHHJLJJ-IXDOHACOSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@@H](C)C1 ZINC001163372804 1383035569 /nfs/dbraw/zinc/03/55/69/1383035569.db2.gz WPIOZEDUHHJLJJ-IXDOHACOSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@@H](C)C1 ZINC001163372804 1383035576 /nfs/dbraw/zinc/03/55/76/1383035576.db2.gz WPIOZEDUHHJLJJ-IXDOHACOSA-N 2 2 331.508 3.244 20 0 EGADLP CCOC(=O)CC1([NH3+])CCN(c2[nH+]ccc3cc(Cl)ccc32)CC1 ZINC001163528200 1383072033 /nfs/dbraw/zinc/07/20/33/1383072033.db2.gz KEVJQTXPNXFEHO-UHFFFAOYSA-N 2 2 347.846 3.139 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001163593611 1383084910 /nfs/dbraw/zinc/08/49/10/1383084910.db2.gz NIFCZODABJCQHJ-QGZVFWFLSA-N 2 2 348.878 3.174 20 0 EGADLP Cc1cccc(N2CCN(c3[nH+]cnc4c3ccn4C(C)C)CC2)[nH+]1 ZINC001163665535 1383098929 /nfs/dbraw/zinc/09/89/29/1383098929.db2.gz IIKKRXIEUYULPY-UHFFFAOYSA-N 2 2 336.443 3.042 20 0 EGADLP C[NH2+]C1(CNc2nc(C)[nH+]c(C)c2Br)CCCCC1 ZINC001163990430 1383143782 /nfs/dbraw/zinc/14/37/82/1383143782.db2.gz YLJSJCUOMQRFMO-UHFFFAOYSA-N 2 2 327.270 3.190 20 0 EGADLP Cc1nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(C)c(C)[nH+]1 ZINC001165305513 1383270173 /nfs/dbraw/zinc/27/01/73/1383270173.db2.gz AGEFFAJZKHFKDK-ZDUSSCGKSA-N 2 2 328.382 3.055 20 0 EGADLP COc1ccc2[nH+]c(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)cc(C)c2c1 ZINC001165430980 1383295207 /nfs/dbraw/zinc/29/52/07/1383295207.db2.gz OVKOTIHKHRUYTF-CJNGLKHVSA-N 2 2 329.419 3.065 20 0 EGADLP CCCc1cc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc(C)[nH+]1 ZINC001165668721 1383321741 /nfs/dbraw/zinc/32/17/41/1383321741.db2.gz CQNKHNJQDQIUCT-QGZVFWFLSA-N 2 2 346.519 3.254 20 0 EGADLP COc1cc[nH+]c(N(c2cccc(C)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165770409 1383343090 /nfs/dbraw/zinc/34/30/90/1383343090.db2.gz GJYKLYYXHMRMJQ-XLIONFOSSA-N 2 2 339.439 3.058 20 0 EGADLP [NH3+]CCc1nccn1-c1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001166369368 1383415836 /nfs/dbraw/zinc/41/58/36/1383415836.db2.gz BTGNYOHZBSFNRS-UHFFFAOYSA-N 2 2 337.814 3.342 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001166474597 1383425932 /nfs/dbraw/zinc/42/59/32/1383425932.db2.gz RPCRURKMUKFFNO-UHFFFAOYSA-N 2 2 344.503 3.040 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001167754781 1383732714 /nfs/dbraw/zinc/73/27/14/1383732714.db2.gz VHPSRSFGHOQTNM-INIZCTEOSA-N 2 2 333.476 3.316 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001167754781 1383732716 /nfs/dbraw/zinc/73/27/16/1383732716.db2.gz VHPSRSFGHOQTNM-INIZCTEOSA-N 2 2 333.476 3.316 20 0 EGADLP COc1c(F)ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1F ZINC001167965871 1383781463 /nfs/dbraw/zinc/78/14/63/1383781463.db2.gz ONRPGZPJRJGLJB-MQVJKMGUSA-N 2 2 336.426 3.468 20 0 EGADLP COc1c(F)ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1F ZINC001167965871 1383781468 /nfs/dbraw/zinc/78/14/68/1383781468.db2.gz ONRPGZPJRJGLJB-MQVJKMGUSA-N 2 2 336.426 3.468 20 0 EGADLP C[C@H]1CC(N[C@H]2C[NH+]3CCC2CC3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008621 1383795687 /nfs/dbraw/zinc/79/56/87/1383795687.db2.gz FPVLWPCNMWSHBG-FIKGOQFSSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009772 1383795864 /nfs/dbraw/zinc/79/58/64/1383795864.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009772 1383795868 /nfs/dbraw/zinc/79/58/68/1383795868.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009772 1383795874 /nfs/dbraw/zinc/79/58/74/1383795874.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009772 1383795878 /nfs/dbraw/zinc/79/58/78/1383795878.db2.gz IBRWFXNIONSBMX-YHELAOLJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cnn(C)c3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012758 1383797030 /nfs/dbraw/zinc/79/70/30/1383797030.db2.gz DSDQPHFBFFSQIL-XEMDLRDOSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cnn(C)c3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012758 1383797040 /nfs/dbraw/zinc/79/70/40/1383797040.db2.gz DSDQPHFBFFSQIL-XEMDLRDOSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802364 /nfs/dbraw/zinc/80/23/64/1383802364.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802366 /nfs/dbraw/zinc/80/23/66/1383802366.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802372 /nfs/dbraw/zinc/80/23/72/1383802372.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168039260 1383802376 /nfs/dbraw/zinc/80/23/76/1383802376.db2.gz CORSHCHCLZEEPI-BBPUYGCGSA-N 3 2 329.532 3.358 20 0 EGADLP COc1cc(N([C@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001168497539 1383923940 /nfs/dbraw/zinc/92/39/40/1383923940.db2.gz BTFIWUFEAVJQRN-OAHLLOKOSA-N 2 2 343.446 3.419 20 0 EGADLP Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c(C[NH+]2CCOCC2)c1 ZINC001168602330 1383946079 /nfs/dbraw/zinc/94/60/79/1383946079.db2.gz LTBLRVIECHZXMU-PMACEKPBSA-N 2 2 331.504 3.112 20 0 EGADLP C[NH+](C)CC(C)(C)CNc1c(Br)c[nH+]c2ccccc21 ZINC001168768226 1383996742 /nfs/dbraw/zinc/99/67/42/1383996742.db2.gz RKUIUIHNDPPBQD-UHFFFAOYSA-N 2 2 336.277 3.419 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831282 1384024411 /nfs/dbraw/zinc/02/44/11/1384024411.db2.gz UVQKPFSVDGDMKL-PMPSAXMXSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831282 1384024416 /nfs/dbraw/zinc/02/44/16/1384024416.db2.gz UVQKPFSVDGDMKL-PMPSAXMXSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)c1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c(C(C)C)c1 ZINC001307968746 1384066707 /nfs/dbraw/zinc/06/67/07/1384066707.db2.gz POLDYHVYTMUZKW-UHFFFAOYSA-N 2 2 345.531 3.139 20 0 EGADLP CC(C)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c(C(C)C)c1 ZINC001307968746 1384066710 /nfs/dbraw/zinc/06/67/10/1384066710.db2.gz POLDYHVYTMUZKW-UHFFFAOYSA-N 2 2 345.531 3.139 20 0 EGADLP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1c[nH+]c2c(c1)CCCN2 ZINC001168999257 1384082535 /nfs/dbraw/zinc/08/25/35/1384082535.db2.gz IECUVJDYVWUXLJ-UHFFFAOYSA-N 2 2 341.846 3.101 20 0 EGADLP Cc1cccc(C)c1C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001308112947 1384095799 /nfs/dbraw/zinc/09/57/99/1384095799.db2.gz KTQITUODJWLNLQ-HXUWFJFHSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C)c1C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001308112947 1384095802 /nfs/dbraw/zinc/09/58/02/1384095802.db2.gz KTQITUODJWLNLQ-HXUWFJFHSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001308112947 1384095805 /nfs/dbraw/zinc/09/58/05/1384095805.db2.gz KTQITUODJWLNLQ-HXUWFJFHSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C)c1C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001308112947 1384095808 /nfs/dbraw/zinc/09/58/08/1384095808.db2.gz KTQITUODJWLNLQ-HXUWFJFHSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1Br ZINC001169124694 1384110638 /nfs/dbraw/zinc/11/06/38/1384110638.db2.gz SFZSWKBLGJYUBG-XDQVBPFNSA-N 2 2 338.293 3.428 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1Br ZINC001169124694 1384110641 /nfs/dbraw/zinc/11/06/41/1384110641.db2.gz SFZSWKBLGJYUBG-XDQVBPFNSA-N 2 2 338.293 3.428 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3nsc4ccccc43)CC1)C2 ZINC001169131796 1384111452 /nfs/dbraw/zinc/11/14/52/1384111452.db2.gz ZLPMOMSVNZUICJ-MUJYYYPQSA-N 2 2 342.512 3.044 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3nsc4ccccc43)CC1)C2 ZINC001169131796 1384111453 /nfs/dbraw/zinc/11/14/53/1384111453.db2.gz ZLPMOMSVNZUICJ-MUJYYYPQSA-N 2 2 342.512 3.044 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169147599 1384114857 /nfs/dbraw/zinc/11/48/57/1384114857.db2.gz VCVCZWUGGBRBOZ-REPLKXPHSA-N 2 2 342.483 3.215 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169147599 1384114859 /nfs/dbraw/zinc/11/48/59/1384114859.db2.gz VCVCZWUGGBRBOZ-REPLKXPHSA-N 2 2 342.483 3.215 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccc(F)cc3F)CC1)C2 ZINC001169148078 1384114869 /nfs/dbraw/zinc/11/48/69/1384114869.db2.gz XZYSGSZIFQRPMV-BJWYYQGGSA-N 2 2 348.437 3.485 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccc(F)cc3F)CC1)C2 ZINC001169148078 1384114870 /nfs/dbraw/zinc/11/48/70/1384114870.db2.gz XZYSGSZIFQRPMV-BJWYYQGGSA-N 2 2 348.437 3.485 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383915 1384123100 /nfs/dbraw/zinc/12/31/00/1384123100.db2.gz APPGKYSTYQOPDI-ICSRJNTNSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383915 1384123102 /nfs/dbraw/zinc/12/31/02/1384123102.db2.gz APPGKYSTYQOPDI-ICSRJNTNSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC001308383915 1384123104 /nfs/dbraw/zinc/12/31/04/1384123104.db2.gz APPGKYSTYQOPDI-ICSRJNTNSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC001308383915 1384123106 /nfs/dbraw/zinc/12/31/06/1384123106.db2.gz APPGKYSTYQOPDI-ICSRJNTNSA-N 2 2 329.532 3.219 20 0 EGADLP CCOc1ccc(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC001169258074 1384128274 /nfs/dbraw/zinc/12/82/74/1384128274.db2.gz AMWHTKYOKJYXHV-UHFFFAOYSA-N 2 2 344.499 3.464 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001169261221 1384128849 /nfs/dbraw/zinc/12/88/49/1384128849.db2.gz FMRWHNFNGYOKPP-IEBWSBKVSA-N 2 2 330.472 3.097 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@@H](C(=O)OC)C[C@@H]2c2ccccc2)CC1 ZINC001169261221 1384128851 /nfs/dbraw/zinc/12/88/51/1384128851.db2.gz FMRWHNFNGYOKPP-IEBWSBKVSA-N 2 2 330.472 3.097 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCC(C)(C)COC ZINC001308988868 1384165127 /nfs/dbraw/zinc/16/51/27/1384165127.db2.gz FILSTUHPHPCNDY-UHFFFAOYSA-N 2 2 332.492 3.463 20 0 EGADLP [NH3+]CCc1cn(-c2cc3c4c(c2)CCC[NH+]4CCC3)c2cccnc12 ZINC001169710548 1384176257 /nfs/dbraw/zinc/17/62/57/1384176257.db2.gz LTLQMZGUNADLJW-UHFFFAOYSA-N 2 2 332.451 3.226 20 0 EGADLP CC1(C)CC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001170009841 1384217290 /nfs/dbraw/zinc/21/72/90/1384217290.db2.gz SLVVDTMIUDSXHO-UHFFFAOYSA-N 2 2 332.492 3.051 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)CCO1 ZINC001170197495 1384261256 /nfs/dbraw/zinc/26/12/56/1384261256.db2.gz OVBNNSQAFWPKPM-OALUTQOASA-N 2 2 332.488 3.207 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(OC)c3)CC2)CCO1 ZINC001170197500 1384261616 /nfs/dbraw/zinc/26/16/16/1384261616.db2.gz OVBNNSQAFWPKPM-RTBURBONSA-N 2 2 332.488 3.207 20 0 EGADLP Nc1cn2ccc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)cc2[nH+]1 ZINC001170752365 1384378929 /nfs/dbraw/zinc/37/89/29/1384378929.db2.gz PAVMNYDYXWNPQB-SFHVURJKSA-N 2 2 335.455 3.036 20 0 EGADLP C1=C2CCC[NH+]([C@@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001170835366 1384394888 /nfs/dbraw/zinc/39/48/88/1384394888.db2.gz RWVAXKOBYRXBQU-SRHPJPHMSA-N 2 2 330.516 3.451 20 0 EGADLP C1=C2CCC[NH+]([C@@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001170835366 1384394889 /nfs/dbraw/zinc/39/48/89/1384394889.db2.gz RWVAXKOBYRXBQU-SRHPJPHMSA-N 2 2 330.516 3.451 20 0 EGADLP C1=C2CCC[N@@H+]([C@@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001170835366 1384394892 /nfs/dbraw/zinc/39/48/92/1384394892.db2.gz RWVAXKOBYRXBQU-SRHPJPHMSA-N 2 2 330.516 3.451 20 0 EGADLP C1=C2CCC[N@H+]([C@@H]3CCCOCC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001170835366 1384394893 /nfs/dbraw/zinc/39/48/93/1384394893.db2.gz RWVAXKOBYRXBQU-SRHPJPHMSA-N 2 2 330.516 3.451 20 0 EGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170851874 1384398413 /nfs/dbraw/zinc/39/84/13/1384398413.db2.gz UTAFSYUDRGTIQY-GUYCJALGSA-N 2 2 337.305 3.380 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153529 1384455916 /nfs/dbraw/zinc/45/59/16/1384455916.db2.gz YXUGIPGBKAALKO-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153529 1384455917 /nfs/dbraw/zinc/45/59/17/1384455917.db2.gz YXUGIPGBKAALKO-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001171407306 1384514445 /nfs/dbraw/zinc/51/44/45/1384514445.db2.gz CIKKAHMGIROOBD-IRXDYDNUSA-N 2 2 340.487 3.095 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001171521285 1384549372 /nfs/dbraw/zinc/54/93/72/1384549372.db2.gz SGHLBHKYGDMEFU-GJZGRUSLSA-N 2 2 338.417 3.425 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001171521285 1384549376 /nfs/dbraw/zinc/54/93/76/1384549376.db2.gz SGHLBHKYGDMEFU-GJZGRUSLSA-N 2 2 338.417 3.425 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527826 1384552021 /nfs/dbraw/zinc/55/20/21/1384552021.db2.gz PNCDQKFYJGKDQJ-CQSZACIVSA-N 2 2 328.460 3.241 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784054 1384634772 /nfs/dbraw/zinc/63/47/72/1384634772.db2.gz IXHWXYYKNIKSBI-MRXNPFEDSA-N 2 2 330.476 3.403 20 0 EGADLP Cn1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978312 1384702721 /nfs/dbraw/zinc/70/27/21/1384702721.db2.gz XYIHDJKUDDLNIG-IBGZPJMESA-N 2 2 326.488 3.295 20 0 EGADLP Cn1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978312 1384702725 /nfs/dbraw/zinc/70/27/25/1384702725.db2.gz XYIHDJKUDDLNIG-IBGZPJMESA-N 2 2 326.488 3.295 20 0 EGADLP Cn1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978312 1384702729 /nfs/dbraw/zinc/70/27/29/1384702729.db2.gz XYIHDJKUDDLNIG-IBGZPJMESA-N 2 2 326.488 3.295 20 0 EGADLP Cn1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978312 1384702731 /nfs/dbraw/zinc/70/27/31/1384702731.db2.gz XYIHDJKUDDLNIG-IBGZPJMESA-N 2 2 326.488 3.295 20 0 EGADLP CC1(C)C[C@H]([NH+]2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC001171981546 1384702866 /nfs/dbraw/zinc/70/28/66/1384702866.db2.gz MQYWJMGDIPUDPH-LJQANCHMSA-N 2 2 344.499 3.269 20 0 EGADLP CC1(C)C[C@H]([NH+]2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC001171981546 1384702870 /nfs/dbraw/zinc/70/28/70/1384702870.db2.gz MQYWJMGDIPUDPH-LJQANCHMSA-N 2 2 344.499 3.269 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001316932410 1384702961 /nfs/dbraw/zinc/70/29/61/1384702961.db2.gz CAJMOVVVLLPSSF-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CCN(CCF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987959 1384705829 /nfs/dbraw/zinc/70/58/29/1384705829.db2.gz MPVYPKLTIGMHCD-IBGZPJMESA-N 2 2 333.495 3.017 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CCN(CCF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987959 1384705831 /nfs/dbraw/zinc/70/58/31/1384705831.db2.gz MPVYPKLTIGMHCD-IBGZPJMESA-N 2 2 333.495 3.017 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001172249853 1384756076 /nfs/dbraw/zinc/75/60/76/1384756076.db2.gz SSAKMAAKROLJHW-SFHVURJKSA-N 2 2 337.895 3.277 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001172327219 1384770161 /nfs/dbraw/zinc/77/01/61/1384770161.db2.gz AUCLLBKVPXHKIY-INDMIFKZSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172451740 1384795640 /nfs/dbraw/zinc/79/56/40/1384795640.db2.gz MOEOWGZYCWAKQB-SXLOBPIMSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172451740 1384795641 /nfs/dbraw/zinc/79/56/41/1384795641.db2.gz MOEOWGZYCWAKQB-SXLOBPIMSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172451740 1384795643 /nfs/dbraw/zinc/79/56/43/1384795643.db2.gz MOEOWGZYCWAKQB-SXLOBPIMSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172451740 1384795645 /nfs/dbraw/zinc/79/56/45/1384795645.db2.gz MOEOWGZYCWAKQB-SXLOBPIMSA-N 2 2 331.504 3.039 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607549 1384818357 /nfs/dbraw/zinc/81/83/57/1384818357.db2.gz ASZGPPNDDIBCFI-UYAOXDASSA-N 2 2 344.499 3.315 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607549 1384818360 /nfs/dbraw/zinc/81/83/60/1384818360.db2.gz ASZGPPNDDIBCFI-UYAOXDASSA-N 2 2 344.499 3.315 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCC3(CCCC3)CC2)[C@@H]([NH3+])C1 ZINC001172724898 1384839178 /nfs/dbraw/zinc/83/91/78/1384839178.db2.gz CYTGJACJQBQKJO-JKSUJKDBSA-N 2 2 337.508 3.026 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172749718 1384843281 /nfs/dbraw/zinc/84/32/81/1384843281.db2.gz CEECTMCOSCXKPV-ULQDDVLXSA-N 2 2 333.476 3.278 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001172794086 1384854214 /nfs/dbraw/zinc/85/42/14/1384854214.db2.gz FEGSMTUXMQDPBQ-JKSUJKDBSA-N 2 2 332.444 3.047 20 0 EGADLP CO[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001172914911 1384877634 /nfs/dbraw/zinc/87/76/34/1384877634.db2.gz LYFDZFFASPUOGG-LEWJYISDSA-N 2 2 330.516 3.488 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054264 1384902639 /nfs/dbraw/zinc/90/26/39/1384902639.db2.gz MRIZYWWYGPCZEL-JKSUJKDBSA-N 2 2 327.513 3.096 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054264 1384902642 /nfs/dbraw/zinc/90/26/42/1384902642.db2.gz MRIZYWWYGPCZEL-JKSUJKDBSA-N 2 2 327.513 3.096 20 0 EGADLP CC[N@H+](C)C1CC[NH+]([C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075539 1384908501 /nfs/dbraw/zinc/90/85/01/1384908501.db2.gz LBOGSBXVVUGQMA-DOTOQJQBSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075539 1384908502 /nfs/dbraw/zinc/90/85/02/1384908502.db2.gz LBOGSBXVVUGQMA-DOTOQJQBSA-N 2 2 339.524 3.191 20 0 EGADLP CCOCc1cnc2n1CC[N@H+](C1CCC([NH+](CC)CC)CC1)[C@@H]2C ZINC001173112008 1384917155 /nfs/dbraw/zinc/91/71/55/1384917155.db2.gz UIPLPAZOZGZFMG-WWDZGPRUSA-N 2 2 348.535 3.449 20 0 EGADLP CCOCc1cnc2n1CC[N@@H+](C1CCC([NH+](CC)CC)CC1)[C@@H]2C ZINC001173112008 1384917157 /nfs/dbraw/zinc/91/71/57/1384917157.db2.gz UIPLPAZOZGZFMG-WWDZGPRUSA-N 2 2 348.535 3.449 20 0 EGADLP COc1cccc2c1C[C@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)CO2 ZINC001173162008 1384927516 /nfs/dbraw/zinc/92/75/16/1384927516.db2.gz TXBQVFOCEPQXJG-INIZCTEOSA-N 2 2 335.407 3.194 20 0 EGADLP COC(=O)CCCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001173441895 1384971240 /nfs/dbraw/zinc/97/12/40/1384971240.db2.gz XSBKDLKOGPFNME-MRXNPFEDSA-N 2 2 333.476 3.010 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173638273 1384994151 /nfs/dbraw/zinc/99/41/51/1384994151.db2.gz XTMSVHOQLGRGGY-MSOLQXFVSA-N 2 2 345.487 3.010 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccccc34)cc2F)CC1 ZINC001174038975 1385049205 /nfs/dbraw/zinc/04/92/05/1385049205.db2.gz VGGRUGDOVHZVKR-UHFFFAOYSA-N 2 2 336.414 3.291 20 0 EGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4[nH+]ccn4c3)c2c1 ZINC001174278613 1385090803 /nfs/dbraw/zinc/09/08/03/1385090803.db2.gz NPKSJJXEWTWJEY-UHFFFAOYSA-N 2 2 332.363 3.225 20 0 EGADLP Brc1cc(Nc2ccc3[nH+]ccn3c2)cn2cc[nH+]c12 ZINC001174279054 1385091167 /nfs/dbraw/zinc/09/11/67/1385091167.db2.gz ZEQTXFQCWHGJEN-UHFFFAOYSA-N 2 2 328.173 3.488 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2)CC1 ZINC001174813713 1385153019 /nfs/dbraw/zinc/15/30/19/1385153019.db2.gz MIGCHMHJJHZKQB-UHFFFAOYSA-N 2 2 337.471 3.177 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c(C)c1 ZINC001175461699 1385298871 /nfs/dbraw/zinc/29/88/71/1385298871.db2.gz PHJWYDQQGIEMNM-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461031 1385299098 /nfs/dbraw/zinc/29/90/98/1385299098.db2.gz KYKGIHUNBUKAKA-IRXDYDNUSA-N 2 2 342.487 3.286 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001175463105 1385300143 /nfs/dbraw/zinc/30/01/43/1385300143.db2.gz XPRSGIIWRZZIEA-LSDHHAIUSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175468303 1385300952 /nfs/dbraw/zinc/30/09/52/1385300952.db2.gz FXARPOHGWYRQRE-CABCVRRESA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001175501942 1385313027 /nfs/dbraw/zinc/31/30/27/1385313027.db2.gz HRFCWGDRSNSTKR-JKSUJKDBSA-N 2 2 348.516 3.361 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175628653 1385356151 /nfs/dbraw/zinc/35/61/51/1385356151.db2.gz GONYEEZGRZMTRD-DJAVDHGHSA-N 2 2 334.508 3.209 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175628653 1385356154 /nfs/dbraw/zinc/35/61/54/1385356154.db2.gz GONYEEZGRZMTRD-DJAVDHGHSA-N 2 2 334.508 3.209 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350666 1385559710 /nfs/dbraw/zinc/55/97/10/1385559710.db2.gz JNXTWVGDVFMKDR-FYCOFBDGSA-N 2 2 334.508 3.272 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176391175 1385574027 /nfs/dbraw/zinc/57/40/27/1385574027.db2.gz BBQOZWRTQMCSFP-INIZCTEOSA-N 2 2 336.524 3.054 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176400740 1385576558 /nfs/dbraw/zinc/57/65/58/1385576558.db2.gz IBYHCUYSGYRMRH-QGZVFWFLSA-N 2 2 346.519 3.118 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176809453 1385709265 /nfs/dbraw/zinc/70/92/65/1385709265.db2.gz AAORBCZBVLEVHQ-KRWDZBQOSA-N 2 2 336.524 3.364 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC001318552890 1385752053 /nfs/dbraw/zinc/75/20/53/1385752053.db2.gz JJLVFBRPEFWJFT-UKRRQHHQSA-N 2 2 328.416 3.110 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177299978 1385903304 /nfs/dbraw/zinc/90/33/04/1385903304.db2.gz BXEXSNQLBBWQGD-QGZVFWFLSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431160 1385953800 /nfs/dbraw/zinc/95/38/00/1385953800.db2.gz MVZRQODQARQMHU-SFHVURJKSA-N 2 2 348.535 3.489 20 0 EGADLP CC(C)(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431279 1385954316 /nfs/dbraw/zinc/95/43/16/1385954316.db2.gz RATFKFQUVSHDQC-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)(C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)c1c[nH+]c[nH]1 ZINC001177467181 1385967395 /nfs/dbraw/zinc/96/73/95/1385967395.db2.gz UMXYBWONQXOHDA-UHFFFAOYSA-N 2 2 346.519 3.096 20 0 EGADLP CC1CCC(C[NH2+]CCCCCCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001178345083 1386193592 /nfs/dbraw/zinc/19/35/92/1386193592.db2.gz AOUORISKJUXXOX-UHFFFAOYSA-N 2 2 348.535 3.435 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001178349739 1386194228 /nfs/dbraw/zinc/19/42/28/1386194228.db2.gz HEFXVKXIYMWLQL-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)CCc2c[nH]c[nH+]2)cs1 ZINC001178649338 1386268982 /nfs/dbraw/zinc/26/89/82/1386268982.db2.gz BUKCCFLTFJPVRO-UHFFFAOYSA-N 2 2 348.516 3.179 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)CCc2c[nH+]c[nH]2)cs1 ZINC001178649338 1386268984 /nfs/dbraw/zinc/26/89/84/1386268984.db2.gz BUKCCFLTFJPVRO-UHFFFAOYSA-N 2 2 348.516 3.179 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001178654024 1386270123 /nfs/dbraw/zinc/27/01/23/1386270123.db2.gz KYDMGADDANCOPB-KRWDZBQOSA-N 2 2 342.487 3.370 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001178654024 1386270127 /nfs/dbraw/zinc/27/01/27/1386270127.db2.gz KYDMGADDANCOPB-KRWDZBQOSA-N 2 2 342.487 3.370 20 0 EGADLP CC1CC(C[NH2+]CCCCCCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001178827633 1386319061 /nfs/dbraw/zinc/31/90/61/1386319061.db2.gz LPASHKFJFIPXIA-UHFFFAOYSA-N 2 2 342.487 3.489 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880663 1386337371 /nfs/dbraw/zinc/33/73/71/1386337371.db2.gz NYIZIAPSAGZJQD-NVXWUHKLSA-N 2 2 348.535 3.135 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880663 1386337377 /nfs/dbraw/zinc/33/73/77/1386337377.db2.gz NYIZIAPSAGZJQD-NVXWUHKLSA-N 2 2 348.535 3.135 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C2 ZINC001178880973 1386337607 /nfs/dbraw/zinc/33/76/07/1386337607.db2.gz RKGRTGZVFZDDBP-KRWDZBQOSA-N 2 2 348.535 3.135 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)CC2 ZINC001178880973 1386337613 /nfs/dbraw/zinc/33/76/13/1386337613.db2.gz RKGRTGZVFZDDBP-KRWDZBQOSA-N 2 2 348.535 3.135 20 0 EGADLP CSc1ccccc1CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319862057 1386340836 /nfs/dbraw/zinc/34/08/36/1386340836.db2.gz AJWOYVWPWOUSFI-UHFFFAOYSA-N 2 2 338.436 3.479 20 0 EGADLP Cc1cc(C)c(C(=O)NCCCCCC[NH2+]CCOC(C)C)c(C)[nH+]1 ZINC001179084679 1386396442 /nfs/dbraw/zinc/39/64/42/1386396442.db2.gz HXULGYNPNQGCGY-UHFFFAOYSA-N 2 2 349.519 3.312 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179776615 1386580707 /nfs/dbraw/zinc/58/07/07/1386580707.db2.gz BORVRMPXDKVZSJ-INIZCTEOSA-N 2 2 336.524 3.291 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179776615 1386580709 /nfs/dbraw/zinc/58/07/09/1386580709.db2.gz BORVRMPXDKVZSJ-INIZCTEOSA-N 2 2 336.524 3.291 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001179902793 1386623365 /nfs/dbraw/zinc/62/33/65/1386623365.db2.gz RIVOSKDUXQRHDF-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP Cc1[nH+]ccn1CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001320557865 1386649792 /nfs/dbraw/zinc/64/97/92/1386649792.db2.gz GMUZDVZLZFLCAA-LJQANCHMSA-N 2 2 341.455 3.098 20 0 EGADLP Cc1[nH+]ccn1CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001320557865 1386649798 /nfs/dbraw/zinc/64/97/98/1386649798.db2.gz GMUZDVZLZFLCAA-LJQANCHMSA-N 2 2 341.455 3.098 20 0 EGADLP CCC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180057658 1386682321 /nfs/dbraw/zinc/68/23/21/1386682321.db2.gz HGXGNIHUVCXZCJ-IBGZPJMESA-N 2 2 346.515 3.410 20 0 EGADLP CCC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180057658 1386682323 /nfs/dbraw/zinc/68/23/23/1386682323.db2.gz HGXGNIHUVCXZCJ-IBGZPJMESA-N 2 2 346.515 3.410 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001180470770 1386807553 /nfs/dbraw/zinc/80/75/53/1386807553.db2.gz UTMVCXYPXVOVHQ-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)n1cc[nH+]c1 ZINC001321771737 1386981145 /nfs/dbraw/zinc/98/11/45/1386981145.db2.gz BCZGJUYQYBPJFH-QGZVFWFLSA-N 2 2 340.471 3.137 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1Cl ZINC001182222519 1387124328 /nfs/dbraw/zinc/12/43/28/1387124328.db2.gz FISFJYGKPKOKRO-QGZVFWFLSA-N 2 2 348.878 3.044 20 0 EGADLP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001329256687 1389037915 /nfs/dbraw/zinc/03/79/15/1389037915.db2.gz KCANHGVFMFCATM-UHFFFAOYSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(NC(C)C)nc1 ZINC001339395184 1390017206 /nfs/dbraw/zinc/01/72/06/1390017206.db2.gz KPPIMYXDIPBQOD-UHFFFAOYSA-N 2 2 336.399 3.043 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC001332613426 1390140655 /nfs/dbraw/zinc/14/06/55/1390140655.db2.gz YVTRPMGFJOYZBY-AWEZNQCLSA-N 2 2 347.434 3.031 20 0 EGADLP COc1cc(F)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC001332613426 1390140657 /nfs/dbraw/zinc/14/06/57/1390140657.db2.gz YVTRPMGFJOYZBY-AWEZNQCLSA-N 2 2 347.434 3.031 20 0 EGADLP CC1([NH+]2CCCC2)CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC001334105030 1390479356 /nfs/dbraw/zinc/47/93/56/1390479356.db2.gz FWINUAWRZZZFLL-UHFFFAOYSA-N 2 2 341.459 3.253 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001334121081 1390482615 /nfs/dbraw/zinc/48/26/15/1390482615.db2.gz HKHUABXCXDZWIW-HNNXBMFYSA-N 2 2 340.427 3.254 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3CNc3cccc(C)[nH+]3)ccn12 ZINC001349788084 1391367063 /nfs/dbraw/zinc/36/70/63/1391367063.db2.gz VHPRQOYBAWCROQ-KRWDZBQOSA-N 2 2 349.438 3.063 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001350588853 1391484446 /nfs/dbraw/zinc/48/44/46/1391484446.db2.gz KAMVKKSOANXLHW-HNNXBMFYSA-N 2 2 340.427 3.254 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001479832130 1392418663 /nfs/dbraw/zinc/41/86/63/1392418663.db2.gz GNURVCALOOGTDG-VQIMIIECSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001480082326 1392571620 /nfs/dbraw/zinc/57/16/20/1392571620.db2.gz UNTHMLGMNVOVEF-SFHVURJKSA-N 2 2 331.504 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001480082326 1392571622 /nfs/dbraw/zinc/57/16/22/1392571622.db2.gz UNTHMLGMNVOVEF-SFHVURJKSA-N 2 2 331.504 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(CF)cc2)c(C)[nH+]1 ZINC001480507511 1392773797 /nfs/dbraw/zinc/77/37/97/1392773797.db2.gz PCVXHUVRMWKJNP-OAHLLOKOSA-N 2 2 343.446 3.384 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001698874480 1406597378 /nfs/dbraw/zinc/59/73/78/1406597378.db2.gz UPYQLWYSCFOQBK-LPHOPBHVSA-N 2 2 342.487 3.142 20 0 EGADLP CCC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cccc(Cl)c1 ZINC001481149481 1393134658 /nfs/dbraw/zinc/13/46/58/1393134658.db2.gz ICURNFUSNVWZAQ-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cccc(Cl)c1 ZINC001481149481 1393134659 /nfs/dbraw/zinc/13/46/59/1393134659.db2.gz ICURNFUSNVWZAQ-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC(C)(C)CCC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001481177487 1393142569 /nfs/dbraw/zinc/14/25/69/1393142569.db2.gz GTIBRZOTGTXLFX-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)(C)CCC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001481177487 1393142570 /nfs/dbraw/zinc/14/25/70/1393142570.db2.gz GTIBRZOTGTXLFX-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001490960290 1394385063 /nfs/dbraw/zinc/38/50/63/1394385063.db2.gz QFQCYTAHVZXRCP-RDGPPVDQSA-N 2 2 346.519 3.117 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001482498873 1395050952 /nfs/dbraw/zinc/05/09/52/1395050952.db2.gz NXYSMSXIRFVJJW-LPHOPBHVSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CC2CCCCCC2)CC1 ZINC001483974857 1395170554 /nfs/dbraw/zinc/17/05/54/1395170554.db2.gz UFBGKPOXMWRSRA-UHFFFAOYSA-N 2 2 346.519 3.202 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C/C=C/Cl ZINC001485433864 1395900994 /nfs/dbraw/zinc/90/09/94/1395900994.db2.gz CVTQJLZUCRFLMX-BOSPYUDASA-N 2 2 348.878 3.163 20 0 EGADLP C[C@@H](CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001494599331 1396483594 /nfs/dbraw/zinc/48/35/94/1396483594.db2.gz SMXRDASFSNEKLP-INIZCTEOSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699010201 1406836775 /nfs/dbraw/zinc/83/67/75/1406836775.db2.gz UISKRDMZUANUIR-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699010201 1406836780 /nfs/dbraw/zinc/83/67/80/1406836780.db2.gz UISKRDMZUANUIR-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699010201 1406836787 /nfs/dbraw/zinc/83/67/87/1406836787.db2.gz UISKRDMZUANUIR-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699010201 1406836792 /nfs/dbraw/zinc/83/67/92/1406836792.db2.gz UISKRDMZUANUIR-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001496353508 1396663016 /nfs/dbraw/zinc/66/30/16/1396663016.db2.gz YUVYOBLNCZCWJS-NVXWUHKLSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001690030696 1404269833 /nfs/dbraw/zinc/26/98/33/1404269833.db2.gz FZRZVFCCUXMJEI-SFHVURJKSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001690865260 1404784080 /nfs/dbraw/zinc/78/40/80/1404784080.db2.gz IJRCFWDFYJZOBA-HZPDHXFCSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001690875997 1404790040 /nfs/dbraw/zinc/79/00/40/1404790040.db2.gz HZBYMWQKECDJDP-OAHLLOKOSA-N 2 2 342.487 3.069 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(C)c1 ZINC001698606456 1406234622 /nfs/dbraw/zinc/23/46/22/1406234622.db2.gz YNFSRGOJLMOONB-QGZVFWFLSA-N 2 2 336.439 3.170 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(F)c1 ZINC001732204122 1428453884 /nfs/dbraw/zinc/45/38/84/1428453884.db2.gz CHZSQDGWIANSQA-MRXNPFEDSA-N 2 2 340.402 3.000 20 0 EGADLP CC1CC(C[NH2+]CC2(NC(=O)c3cccc4[nH+]ccn43)CCCC2)C1 ZINC001732231687 1428478608 /nfs/dbraw/zinc/47/86/08/1428478608.db2.gz ZCCBCQVGWVKRHV-UHFFFAOYSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001732253652 1428495116 /nfs/dbraw/zinc/49/51/16/1428495116.db2.gz LXNVBMPWZTWMAC-FQEVSTJZSA-N 2 2 346.519 3.106 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001700462826 1414063897 /nfs/dbraw/zinc/06/38/97/1414063897.db2.gz FUEBTFDBOOYGHZ-JKSUJKDBSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001700462826 1414063900 /nfs/dbraw/zinc/06/39/00/1414063900.db2.gz FUEBTFDBOOYGHZ-JKSUJKDBSA-N 2 2 344.503 3.375 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001700525965 1414187194 /nfs/dbraw/zinc/18/71/94/1414187194.db2.gz UBKJUDHBFIHBJG-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001700525965 1414187197 /nfs/dbraw/zinc/18/71/97/1414187197.db2.gz UBKJUDHBFIHBJG-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001700525965 1414187202 /nfs/dbraw/zinc/18/72/02/1414187202.db2.gz UBKJUDHBFIHBJG-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001700525965 1414187207 /nfs/dbraw/zinc/18/72/07/1414187207.db2.gz UBKJUDHBFIHBJG-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001700529418 1414194688 /nfs/dbraw/zinc/19/46/88/1414194688.db2.gz UGFUFQAKDJJPAB-SFHVURJKSA-N 2 2 348.535 3.150 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001700529418 1414194694 /nfs/dbraw/zinc/19/46/94/1414194694.db2.gz UGFUFQAKDJJPAB-SFHVURJKSA-N 2 2 348.535 3.150 20 0 EGADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCCC1 ZINC001714089705 1418883205 /nfs/dbraw/zinc/88/32/05/1418883205.db2.gz KWLZTXCEAOEQQV-KRWDZBQOSA-N 2 2 342.487 3.403 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153461 1418960820 /nfs/dbraw/zinc/96/08/20/1418960820.db2.gz HWMXIQCHLOZDBV-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153461 1418960823 /nfs/dbraw/zinc/96/08/23/1418960823.db2.gz HWMXIQCHLOZDBV-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001714476216 1419199739 /nfs/dbraw/zinc/19/97/39/1419199739.db2.gz ABOGKOXRXVUTLE-OAHLLOKOSA-N 2 2 336.439 3.170 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1ccccc1C ZINC001714593034 1419341836 /nfs/dbraw/zinc/34/18/36/1419341836.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1ccccc1C ZINC001714593034 1419341839 /nfs/dbraw/zinc/34/18/39/1419341839.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1ccccc1C ZINC001714593034 1419341843 /nfs/dbraw/zinc/34/18/43/1419341843.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1ccccc1C ZINC001714593034 1419341847 /nfs/dbraw/zinc/34/18/47/1419341847.db2.gz CYBKVFFCQKAMKI-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714858735 1419577965 /nfs/dbraw/zinc/57/79/65/1419577965.db2.gz CZKCGNCWSFRMGT-KRWDZBQOSA-N 2 2 348.535 3.102 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714858735 1419577968 /nfs/dbraw/zinc/57/79/68/1419577968.db2.gz CZKCGNCWSFRMGT-KRWDZBQOSA-N 2 2 348.535 3.102 20 0 EGADLP CC(C)C[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCCC1 ZINC001714973329 1419708383 /nfs/dbraw/zinc/70/83/83/1419708383.db2.gz CVVWXWFNVSTNPE-IBGZPJMESA-N 2 2 342.487 3.487 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715388279 1420085026 /nfs/dbraw/zinc/08/50/26/1420085026.db2.gz AGWBSNXVIFHHSM-FUHWJXTLSA-N 2 2 342.487 3.142 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716442535 1420661592 /nfs/dbraw/zinc/66/15/92/1420661592.db2.gz CXJTYOVZHNVDHK-STQMWFEESA-N 2 2 340.402 3.171 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001716478989 1420694448 /nfs/dbraw/zinc/69/44/48/1420694448.db2.gz WZVHIPGDELSKBC-JKSUJKDBSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)ccn12 ZINC001716478989 1420694451 /nfs/dbraw/zinc/69/44/51/1420694451.db2.gz WZVHIPGDELSKBC-JKSUJKDBSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508889 1420740627 /nfs/dbraw/zinc/74/06/27/1420740627.db2.gz SBTPQCCXJZZCRQ-ROUUACIJSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508889 1420740628 /nfs/dbraw/zinc/74/06/28/1420740628.db2.gz SBTPQCCXJZZCRQ-ROUUACIJSA-N 2 2 342.487 3.169 20 0 EGADLP CC(C)C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CCCCCC1 ZINC001733277260 1429442773 /nfs/dbraw/zinc/44/27/73/1429442773.db2.gz DDFOIIPSPIHJIM-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CCCCCC1 ZINC001733277260 1429442775 /nfs/dbraw/zinc/44/27/75/1429442775.db2.gz DDFOIIPSPIHJIM-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC001717516817 1421453998 /nfs/dbraw/zinc/45/39/98/1421453998.db2.gz QOQHBEZLBQDQDQ-SJLPKXTDSA-N 2 2 342.487 3.176 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162580 1424699626 /nfs/dbraw/zinc/69/96/26/1424699626.db2.gz PZCMQKUEUSGYJA-MGPUTAFESA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162580 1424699633 /nfs/dbraw/zinc/69/96/33/1424699633.db2.gz PZCMQKUEUSGYJA-MGPUTAFESA-N 2 2 342.487 3.439 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001724846915 1425199360 /nfs/dbraw/zinc/19/93/60/1425199360.db2.gz UZMATYXPFUJXRM-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001724846915 1425199365 /nfs/dbraw/zinc/19/93/65/1425199365.db2.gz UZMATYXPFUJXRM-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731297945 1427240765 /nfs/dbraw/zinc/24/07/65/1427240765.db2.gz VFHMVUKOLDQIMN-RDJZCZTQSA-N 2 2 340.471 3.107 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731559706 1427592608 /nfs/dbraw/zinc/59/26/08/1427592608.db2.gz QXVKCINWRFBXLW-DOTOQJQBSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731559706 1427592614 /nfs/dbraw/zinc/59/26/14/1427592614.db2.gz QXVKCINWRFBXLW-DOTOQJQBSA-N 2 2 348.535 3.304 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001731807295 1427981361 /nfs/dbraw/zinc/98/13/61/1427981361.db2.gz ZTGVBKIWSQEUDM-UHFFFAOYSA-N 2 2 330.476 3.212 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001731807295 1427981366 /nfs/dbraw/zinc/98/13/66/1427981366.db2.gz ZTGVBKIWSQEUDM-UHFFFAOYSA-N 2 2 330.476 3.212 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C[NH2+]CC2CCC2)C2CC2)c(C)[nH+]1 ZINC001734301713 1438032401 /nfs/dbraw/zinc/03/24/01/1438032401.db2.gz LSIUWFGGZLZDJQ-GOSISDBHSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456587 1438113934 /nfs/dbraw/zinc/11/39/34/1438113934.db2.gz HHICLBOWYUSKFC-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456587 1438113935 /nfs/dbraw/zinc/11/39/35/1438113935.db2.gz HHICLBOWYUSKFC-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456587 1438113936 /nfs/dbraw/zinc/11/39/36/1438113936.db2.gz HHICLBOWYUSKFC-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456587 1438113937 /nfs/dbraw/zinc/11/39/37/1438113937.db2.gz HHICLBOWYUSKFC-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001752156437 1440147128 /nfs/dbraw/zinc/14/71/28/1440147128.db2.gz JXUVMDDWSQEWAH-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752525800 1440192861 /nfs/dbraw/zinc/19/28/61/1440192861.db2.gz CFZFPIYZYJMZNQ-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752525800 1440192862 /nfs/dbraw/zinc/19/28/62/1440192862.db2.gz CFZFPIYZYJMZNQ-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@H]2C[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001752828046 1440224368 /nfs/dbraw/zinc/22/43/68/1440224368.db2.gz XZDQANLHCMOJNK-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752944735 1440251332 /nfs/dbraw/zinc/25/13/32/1440251332.db2.gz XWFYVLMQTPSRCO-DWTRPJMMSA-N 2 2 340.471 3.361 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753119956 1440313078 /nfs/dbraw/zinc/31/30/78/1440313078.db2.gz QVNSJHIAPISHAD-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753119956 1440313079 /nfs/dbraw/zinc/31/30/79/1440313079.db2.gz QVNSJHIAPISHAD-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001753251867 1440343170 /nfs/dbraw/zinc/34/31/70/1440343170.db2.gz CKVHNKHROCUMMM-CYBMUJFWSA-N 2 2 348.878 3.150 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001753276749 1440346332 /nfs/dbraw/zinc/34/63/32/1440346332.db2.gz CUOFJOWFLVGGLQ-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336890 1440372832 /nfs/dbraw/zinc/37/28/32/1440372832.db2.gz BTXMGCIVJXMSBR-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336890 1440372833 /nfs/dbraw/zinc/37/28/33/1440372833.db2.gz BTXMGCIVJXMSBR-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336890 1440372834 /nfs/dbraw/zinc/37/28/34/1440372834.db2.gz BTXMGCIVJXMSBR-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336890 1440372835 /nfs/dbraw/zinc/37/28/35/1440372835.db2.gz BTXMGCIVJXMSBR-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](CC(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001753598418 1440445625 /nfs/dbraw/zinc/44/56/25/1440445625.db2.gz GEQKUPFRXNUSGT-HFCFLWKCSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001753695541 1440467360 /nfs/dbraw/zinc/46/73/60/1440467360.db2.gz SBBVLIQZDIXIFK-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001753695541 1440467361 /nfs/dbraw/zinc/46/73/61/1440467361.db2.gz SBBVLIQZDIXIFK-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001753721503 1440473158 /nfs/dbraw/zinc/47/31/58/1440473158.db2.gz VGQDWURVHRMHDA-HNNXBMFYSA-N 2 2 334.508 3.094 20 0 EGADLP CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCC1CCC1 ZINC001753831789 1440499855 /nfs/dbraw/zinc/49/98/55/1440499855.db2.gz AQCIPFLIVVCERF-LJQANCHMSA-N 2 2 342.487 3.487 20 0 EGADLP C[C@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754003764 1440530452 /nfs/dbraw/zinc/53/04/52/1440530452.db2.gz NCFFKNNDPGHHPR-SJORKVTESA-N 2 2 346.519 3.289 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCC4CCCC4)CC3)ccn12 ZINC001754514459 1440618266 /nfs/dbraw/zinc/61/82/66/1440618266.db2.gz AGYXMQAMZQVDQZ-UHFFFAOYSA-N 2 2 340.471 3.075 20 0 EGADLP CC(C)(C)CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CCCCCC1 ZINC001754547645 1440628233 /nfs/dbraw/zinc/62/82/33/1440628233.db2.gz LPOXGOWHHZRQQI-UHFFFAOYSA-N 2 2 348.535 3.460 20 0 EGADLP CC(C)(C)CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CCCCCC1 ZINC001754547645 1440628234 /nfs/dbraw/zinc/62/82/34/1440628234.db2.gz LPOXGOWHHZRQQI-UHFFFAOYSA-N 2 2 348.535 3.460 20 0 EGADLP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001754564578 1440634892 /nfs/dbraw/zinc/63/48/92/1440634892.db2.gz GXKAJCHAUSBRRN-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP CCCCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001754564578 1440634893 /nfs/dbraw/zinc/63/48/93/1440634893.db2.gz GXKAJCHAUSBRRN-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001754948936 1440714426 /nfs/dbraw/zinc/71/44/26/1440714426.db2.gz SFBJYFTUANHKIC-CVEARBPZSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001754948936 1440714427 /nfs/dbraw/zinc/71/44/27/1440714427.db2.gz SFBJYFTUANHKIC-CVEARBPZSA-N 2 2 342.487 3.211 20 0 EGADLP CCCCC[N@@H+]1Cc2ccc(CNC(=O)Cc3[nH]c[nH+]c3C)cc2C1 ZINC001755101686 1440752956 /nfs/dbraw/zinc/75/29/56/1440752956.db2.gz YMSKKFNQQATZJT-UHFFFAOYSA-N 2 2 340.471 3.083 20 0 EGADLP CCCCC[N@H+]1Cc2ccc(CNC(=O)Cc3[nH]c[nH+]c3C)cc2C1 ZINC001755101686 1440752957 /nfs/dbraw/zinc/75/29/57/1440752957.db2.gz YMSKKFNQQATZJT-UHFFFAOYSA-N 2 2 340.471 3.083 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cccnc2C)c(C)[nH+]1 ZINC001755246083 1440790631 /nfs/dbraw/zinc/79/06/31/1440790631.db2.gz KMKUNHROKMDXPJ-LSDHHAIUSA-N 2 2 340.471 3.007 20 0 EGADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001755319319 1440817558 /nfs/dbraw/zinc/81/75/58/1440817558.db2.gz QKADJBGMBGSMTD-DLBZAZTESA-N 2 2 348.535 3.487 20 0 EGADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001755319319 1440817559 /nfs/dbraw/zinc/81/75/59/1440817559.db2.gz QKADJBGMBGSMTD-DLBZAZTESA-N 2 2 348.535 3.487 20 0 EGADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)CC1CCCCCC1 ZINC001755327141 1440822295 /nfs/dbraw/zinc/82/22/95/1440822295.db2.gz BEVDBPGCXXWMCZ-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)CC1CCCCCC1 ZINC001755327141 1440822296 /nfs/dbraw/zinc/82/22/96/1440822296.db2.gz BEVDBPGCXXWMCZ-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001755521813 1440865042 /nfs/dbraw/zinc/86/50/42/1440865042.db2.gz JMDBWXRGHJENML-UONOGXRCSA-N 2 2 346.450 3.035 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001755860884 1440936803 /nfs/dbraw/zinc/93/68/03/1440936803.db2.gz YOHSPGHOPLRFGE-WAYWQWQTSA-N 2 2 340.471 3.273 20 0 EGADLP Cc1cccc2c(C)cc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)[nH+]c12 ZINC001164728520 720507290 /nfs/dbraw/zinc/50/72/90/720507290.db2.gz GFHGZKDTWGZIFT-KRWDZBQOSA-N 2 2 349.482 3.246 20 0 EGADLP Cc1c(F)cc[nH+]c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955898 722019035 /nfs/dbraw/zinc/01/90/35/722019035.db2.gz RRARRQVCJYOMRA-UHFFFAOYSA-N 2 2 340.446 3.417 20 0 EGADLP Cc1c(F)cc[nH+]c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955898 722019038 /nfs/dbraw/zinc/01/90/38/722019038.db2.gz RRARRQVCJYOMRA-UHFFFAOYSA-N 2 2 340.446 3.417 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302110 168340980 /nfs/dbraw/zinc/34/09/80/168340980.db2.gz QZVXNAADBGWWPP-DZGCQCFKSA-N 2 2 346.368 3.293 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302110 168340984 /nfs/dbraw/zinc/34/09/84/168340984.db2.gz QZVXNAADBGWWPP-DZGCQCFKSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302110 168340987 /nfs/dbraw/zinc/34/09/87/168340987.db2.gz QZVXNAADBGWWPP-DZGCQCFKSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302110 168340988 /nfs/dbraw/zinc/34/09/88/168340988.db2.gz QZVXNAADBGWWPP-DZGCQCFKSA-N 2 2 346.368 3.293 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1 ZINC000368552494 168371678 /nfs/dbraw/zinc/37/16/78/168371678.db2.gz YWRMYDYBVCACRA-PBHICJAKSA-N 2 2 333.505 3.093 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000368552494 168371680 /nfs/dbraw/zinc/37/16/80/168371680.db2.gz YWRMYDYBVCACRA-PBHICJAKSA-N 2 2 333.505 3.093 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1 ZINC000368552495 168371726 /nfs/dbraw/zinc/37/17/26/168371726.db2.gz YWRMYDYBVCACRA-RHSMWYFYSA-N 2 2 333.505 3.093 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nn1 ZINC000368552495 168371729 /nfs/dbraw/zinc/37/17/29/168371729.db2.gz YWRMYDYBVCACRA-RHSMWYFYSA-N 2 2 333.505 3.093 20 0 EGADLP CC[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181068964 529476179 /nfs/dbraw/zinc/47/61/79/529476179.db2.gz MQHPQROYWCWOIF-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP CC[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181068964 529476181 /nfs/dbraw/zinc/47/61/81/529476181.db2.gz MQHPQROYWCWOIF-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000068387061 215304190 /nfs/dbraw/zinc/30/41/90/215304190.db2.gz ZYQXLFKIIKBGTO-HNNXBMFYSA-N 2 2 336.439 3.194 20 0 EGADLP CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000068549854 215317812 /nfs/dbraw/zinc/31/78/12/215317812.db2.gz FIGSZNGQFAJSRB-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)oc21 ZINC000181782577 234321824 /nfs/dbraw/zinc/32/18/24/234321824.db2.gz QVDDRZGHAZVYDX-LSDHHAIUSA-N 2 2 332.444 3.060 20 0 EGADLP COCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000129076445 223018039 /nfs/dbraw/zinc/01/80/39/223018039.db2.gz FGMJFYHPWSLTIG-UZLBHIALSA-N 2 2 328.456 3.426 20 0 EGADLP COCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000129076445 223018040 /nfs/dbraw/zinc/01/80/40/223018040.db2.gz FGMJFYHPWSLTIG-UZLBHIALSA-N 2 2 328.456 3.426 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187037284 236101434 /nfs/dbraw/zinc/10/14/34/236101434.db2.gz RWDCALZIWMEZPI-QGZVFWFLSA-N 2 2 343.446 3.183 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187037284 236101437 /nfs/dbraw/zinc/10/14/37/236101437.db2.gz RWDCALZIWMEZPI-QGZVFWFLSA-N 2 2 343.446 3.183 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000187168968 236135948 /nfs/dbraw/zinc/13/59/48/236135948.db2.gz IDADZQBBSGGXHP-INIZCTEOSA-N 2 2 336.439 3.380 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000130692699 223170048 /nfs/dbraw/zinc/17/00/48/223170048.db2.gz CNPJBLUYVYGPFP-OAHLLOKOSA-N 2 2 337.423 3.389 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857813 216318500 /nfs/dbraw/zinc/31/85/00/216318500.db2.gz ZMZAMOOXTPLLMF-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857813 216318503 /nfs/dbraw/zinc/31/85/03/216318503.db2.gz ZMZAMOOXTPLLMF-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000072857813 216318506 /nfs/dbraw/zinc/31/85/06/216318506.db2.gz ZMZAMOOXTPLLMF-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000072857813 216318508 /nfs/dbraw/zinc/31/85/08/216318508.db2.gz ZMZAMOOXTPLLMF-NSHGMRRFSA-N 2 2 345.531 3.306 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039108 213196182 /nfs/dbraw/zinc/19/61/82/213196182.db2.gz UPVNMARUIFSCGE-UEKVPHQBSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039108 213196185 /nfs/dbraw/zinc/19/61/85/213196185.db2.gz UPVNMARUIFSCGE-UEKVPHQBSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110821484 220069043 /nfs/dbraw/zinc/06/90/43/220069043.db2.gz FIXLMMUNFDGNRH-MLGOLLRUSA-N 2 2 334.261 3.181 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4C)CC3)cc(=O)oc2c1C ZINC000378433772 169119929 /nfs/dbraw/zinc/11/99/29/169119929.db2.gz SZPLEYWBFFIYOR-UHFFFAOYSA-N 2 2 340.467 3.470 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)cc(=O)oc2c1C ZINC000378433772 169119931 /nfs/dbraw/zinc/11/99/31/169119931.db2.gz SZPLEYWBFFIYOR-UHFFFAOYSA-N 2 2 340.467 3.470 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000092043178 218109377 /nfs/dbraw/zinc/10/93/77/218109377.db2.gz IXCGMTRWRSMMBF-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000092043178 218109378 /nfs/dbraw/zinc/10/93/78/218109378.db2.gz IXCGMTRWRSMMBF-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC(F)F)c1 ZINC000092043178 218109380 /nfs/dbraw/zinc/10/93/80/218109380.db2.gz IXCGMTRWRSMMBF-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(OC(F)F)c1 ZINC000092043178 218109382 /nfs/dbraw/zinc/10/93/82/218109382.db2.gz IXCGMTRWRSMMBF-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000093683572 218242462 /nfs/dbraw/zinc/24/24/62/218242462.db2.gz ZWGWTUJOVHNXTN-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OC ZINC000093683572 218242463 /nfs/dbraw/zinc/24/24/63/218242463.db2.gz ZWGWTUJOVHNXTN-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742024 218245340 /nfs/dbraw/zinc/24/53/40/218245340.db2.gz CQASUAXRSXYKHE-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742024 218245343 /nfs/dbraw/zinc/24/53/43/218245343.db2.gz CQASUAXRSXYKHE-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742024 218245345 /nfs/dbraw/zinc/24/53/45/218245345.db2.gz CQASUAXRSXYKHE-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742024 218245347 /nfs/dbraw/zinc/24/53/47/218245347.db2.gz CQASUAXRSXYKHE-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742195 218245819 /nfs/dbraw/zinc/24/58/19/218245819.db2.gz BOFOIKKRARFFLW-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742195 218245821 /nfs/dbraw/zinc/24/58/21/218245821.db2.gz BOFOIKKRARFFLW-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742195 218245824 /nfs/dbraw/zinc/24/58/24/218245824.db2.gz BOFOIKKRARFFLW-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742195 218245825 /nfs/dbraw/zinc/24/58/25/218245825.db2.gz BOFOIKKRARFFLW-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)c2c(F)cccc2F)n1-c1ccccc1 ZINC000095964431 218468994 /nfs/dbraw/zinc/46/89/94/218468994.db2.gz TVQPKRACKXUQQE-SFHVURJKSA-N 2 2 343.377 3.282 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267466688 251083847 /nfs/dbraw/zinc/08/38/47/251083847.db2.gz WNKVUBUXPDYNSC-INIZCTEOSA-N 2 2 327.428 3.391 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267466688 251083850 /nfs/dbraw/zinc/08/38/50/251083850.db2.gz WNKVUBUXPDYNSC-INIZCTEOSA-N 2 2 327.428 3.391 20 0 EGADLP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268843012 252291067 /nfs/dbraw/zinc/29/10/67/252291067.db2.gz AZHJKHZUODDYDS-ICSRJNTNSA-N 2 2 333.520 3.008 20 0 EGADLP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268843012 252291069 /nfs/dbraw/zinc/29/10/69/252291069.db2.gz AZHJKHZUODDYDS-ICSRJNTNSA-N 2 2 333.520 3.008 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000153742292 224150462 /nfs/dbraw/zinc/15/04/62/224150462.db2.gz SHIVMAAEGAJRTM-NSHDSACASA-N 2 2 335.311 3.130 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000153742292 224150464 /nfs/dbraw/zinc/15/04/64/224150464.db2.gz SHIVMAAEGAJRTM-NSHDSACASA-N 2 2 335.311 3.130 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181086676 533207004 /nfs/dbraw/zinc/20/70/04/533207004.db2.gz RUQNZOUROHYPEU-CQSZACIVSA-N 2 2 341.415 3.025 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181086676 533207011 /nfs/dbraw/zinc/20/70/11/533207011.db2.gz RUQNZOUROHYPEU-CQSZACIVSA-N 2 2 341.415 3.025 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)cn2)c[nH+]1 ZINC000155095085 224357679 /nfs/dbraw/zinc/35/76/79/224357679.db2.gz OAWZNPVMHDIXRS-LJQANCHMSA-N 2 2 333.439 3.344 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)cn2)c[nH+]1 ZINC000155095085 224357682 /nfs/dbraw/zinc/35/76/82/224357682.db2.gz OAWZNPVMHDIXRS-LJQANCHMSA-N 2 2 333.439 3.344 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000178664130 533458284 /nfs/dbraw/zinc/45/82/84/533458284.db2.gz PQVUQUNPDWAZFT-MRXNPFEDSA-N 2 2 346.496 3.310 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246594480 141018446 /nfs/dbraw/zinc/01/84/46/141018446.db2.gz ZRLNRIQXOFILCR-QCFAMHMHSA-N 2 2 345.531 3.333 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246594480 141018449 /nfs/dbraw/zinc/01/84/49/141018449.db2.gz ZRLNRIQXOFILCR-QCFAMHMHSA-N 2 2 345.531 3.333 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246697537 141026256 /nfs/dbraw/zinc/02/62/56/141026256.db2.gz BVTXMYNKTFCENC-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246697537 141026260 /nfs/dbraw/zinc/02/62/60/141026260.db2.gz BVTXMYNKTFCENC-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000246697537 141026263 /nfs/dbraw/zinc/02/62/63/141026263.db2.gz BVTXMYNKTFCENC-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000246697537 141026267 /nfs/dbraw/zinc/02/62/67/141026267.db2.gz BVTXMYNKTFCENC-GJZGRUSLSA-N 2 2 335.517 3.009 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246817584 141036249 /nfs/dbraw/zinc/03/62/49/141036249.db2.gz JDDWNUKUPOJCOJ-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246817584 141036251 /nfs/dbraw/zinc/03/62/51/141036251.db2.gz JDDWNUKUPOJCOJ-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246817584 141036255 /nfs/dbraw/zinc/03/62/55/141036255.db2.gz JDDWNUKUPOJCOJ-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246817584 141036257 /nfs/dbraw/zinc/03/62/57/141036257.db2.gz JDDWNUKUPOJCOJ-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Fc1cc(C[NH2+][C@H]2CCc3ccccc3OC2)ccc1-n1cc[nH+]c1 ZINC000337846347 141066155 /nfs/dbraw/zinc/06/61/55/141066155.db2.gz HYNHHXVYLVAJHS-KRWDZBQOSA-N 2 2 337.398 3.495 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810260 141149666 /nfs/dbraw/zinc/14/96/66/141149666.db2.gz PYWFEZLRLGWVNV-OXJNMPFZSA-N 2 2 349.482 3.001 20 0 EGADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000346248601 141186328 /nfs/dbraw/zinc/18/63/28/141186328.db2.gz YZHHOMDKDIWFCS-UHFFFAOYSA-N 2 2 330.497 3.242 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000346248601 141186330 /nfs/dbraw/zinc/18/63/30/141186330.db2.gz YZHHOMDKDIWFCS-UHFFFAOYSA-N 2 2 330.497 3.242 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2[nH+]c1C(C)(C)C ZINC000346270902 141189422 /nfs/dbraw/zinc/18/94/22/141189422.db2.gz MDZMAFZIEUCZRS-STQMWFEESA-N 2 2 328.460 3.327 20 0 EGADLP CSc1cccc(F)c1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352952331 141276436 /nfs/dbraw/zinc/27/64/36/141276436.db2.gz QNKFBZUFXHHXBN-UHFFFAOYSA-N 2 2 325.478 3.356 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000353343896 141291209 /nfs/dbraw/zinc/29/12/09/141291209.db2.gz YPBDOBRJNHGGSI-QFBILLFUSA-N 2 2 347.503 3.185 20 0 EGADLP Fc1ccc(CCNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(Cl)c1 ZINC000356300406 141338900 /nfs/dbraw/zinc/33/89/00/141338900.db2.gz KPXZCHBNEOJFFT-UHFFFAOYSA-N 2 2 330.794 3.195 20 0 EGADLP COC1(C[N@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612237 292109222 /nfs/dbraw/zinc/10/92/22/292109222.db2.gz UIZBNEGJZDYNQA-MOPGFXCFSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612237 292109224 /nfs/dbraw/zinc/10/92/24/292109224.db2.gz UIZBNEGJZDYNQA-MOPGFXCFSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612237 292109226 /nfs/dbraw/zinc/10/92/26/292109226.db2.gz UIZBNEGJZDYNQA-MOPGFXCFSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612237 292109227 /nfs/dbraw/zinc/10/92/27/292109227.db2.gz UIZBNEGJZDYNQA-MOPGFXCFSA-N 2 2 331.504 3.356 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186879295 144145539 /nfs/dbraw/zinc/14/55/39/144145539.db2.gz XYHVXGFCLMXXRE-XLIONFOSSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186879295 144145541 /nfs/dbraw/zinc/14/55/41/144145541.db2.gz XYHVXGFCLMXXRE-XLIONFOSSA-N 2 2 326.488 3.162 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2ccco2)CC1 ZINC000344941871 144245603 /nfs/dbraw/zinc/24/56/03/144245603.db2.gz JXOIVIVSYATBNT-UHFFFAOYSA-N 2 2 337.423 3.467 20 0 EGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000347032427 144251177 /nfs/dbraw/zinc/25/11/77/144251177.db2.gz ABGQFXGPRVOEJS-VIFPVBQESA-N 2 2 337.183 3.249 20 0 EGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000347032427 144251178 /nfs/dbraw/zinc/25/11/78/144251178.db2.gz ABGQFXGPRVOEJS-VIFPVBQESA-N 2 2 337.183 3.249 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347031626 144251253 /nfs/dbraw/zinc/25/12/53/144251253.db2.gz AGNWXYNUFQHAJW-UHFFFAOYSA-N 2 2 331.479 3.390 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1ccccc1F ZINC000361725860 144355684 /nfs/dbraw/zinc/35/56/84/144355684.db2.gz HTXDONXFIBVRAX-MRXNPFEDSA-N 2 2 343.446 3.242 20 0 EGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000363779843 144365498 /nfs/dbraw/zinc/36/54/98/144365498.db2.gz FAUQRENQESAFCL-RRFJBIMHSA-N 2 2 340.414 3.110 20 0 EGADLP Fc1ccc([C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850720 144371391 /nfs/dbraw/zinc/37/13/91/144371391.db2.gz DSNFTKSYNJBRKS-WMZOPIPTSA-N 2 2 328.435 3.245 20 0 EGADLP Fc1ccc([C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850720 144371392 /nfs/dbraw/zinc/37/13/92/144371392.db2.gz DSNFTKSYNJBRKS-WMZOPIPTSA-N 2 2 328.435 3.245 20 0 EGADLP Cc1ccc2nc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cn2c1 ZINC000341084503 155149709 /nfs/dbraw/zinc/14/97/09/155149709.db2.gz YKCRHZQRTWIHSE-UHFFFAOYSA-N 2 2 334.467 3.181 20 0 EGADLP Cc1ccc2nc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cn2c1 ZINC000341084503 155149711 /nfs/dbraw/zinc/14/97/11/155149711.db2.gz YKCRHZQRTWIHSE-UHFFFAOYSA-N 2 2 334.467 3.181 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)CC(C)C ZINC000341211974 155210776 /nfs/dbraw/zinc/21/07/76/155210776.db2.gz JKVYNQKEZQNORU-SJORKVTESA-N 2 2 349.523 3.055 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C12CCC2 ZINC000344075451 286279405 /nfs/dbraw/zinc/27/94/05/286279405.db2.gz NSLPDYFTUUMBRZ-RTBURBONSA-N 2 2 328.500 3.023 20 0 EGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117581943 152105220 /nfs/dbraw/zinc/10/52/20/152105220.db2.gz BZJOAEPGDNXAAD-UHFFFAOYSA-N 2 2 348.450 3.076 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)n1 ZINC000119303601 152193098 /nfs/dbraw/zinc/19/30/98/152193098.db2.gz YTCLIEOVXWAUSF-PBHICJAKSA-N 2 2 340.471 3.056 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2)n1 ZINC000119303601 152193103 /nfs/dbraw/zinc/19/31/03/152193103.db2.gz YTCLIEOVXWAUSF-PBHICJAKSA-N 2 2 340.471 3.056 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000119863182 152234710 /nfs/dbraw/zinc/23/47/10/152234710.db2.gz PFIRJTSGYDZBSP-FXAWDEMLSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000119863182 152234714 /nfs/dbraw/zinc/23/47/14/152234714.db2.gz PFIRJTSGYDZBSP-FXAWDEMLSA-N 2 2 339.483 3.399 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000185678543 286311938 /nfs/dbraw/zinc/31/19/38/286311938.db2.gz SUUQXIRISUFLML-MGPUTAFESA-N 2 2 328.456 3.485 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)Nc2cc[nH+]cc2C)[NH+](C)C)cc1 ZINC000121757745 152369305 /nfs/dbraw/zinc/36/93/05/152369305.db2.gz CUJAWVMXUGVSHW-GOSISDBHSA-N 2 2 326.444 3.377 20 0 EGADLP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000121967271 152381209 /nfs/dbraw/zinc/38/12/09/152381209.db2.gz FYXNRDRUPAMJGI-FQEVSTJZSA-N 2 2 337.467 3.332 20 0 EGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000191638730 153213523 /nfs/dbraw/zinc/21/35/23/153213523.db2.gz DDZDHYNRJPLTOV-FQEVSTJZSA-N 2 2 337.467 3.419 20 0 EGADLP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000191638751 153213562 /nfs/dbraw/zinc/21/35/62/153213562.db2.gz DDZDHYNRJPLTOV-HXUWFJFHSA-N 2 2 337.467 3.419 20 0 EGADLP CCO[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000193431782 153291365 /nfs/dbraw/zinc/29/13/65/153291365.db2.gz CWVLAOPQYLXCSP-OAQYLSRUSA-N 2 2 339.483 3.413 20 0 EGADLP c1csc([C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000193937942 153313624 /nfs/dbraw/zinc/31/36/24/153313624.db2.gz DGRFQHYYJUKMFZ-MXSMSXNCSA-N 2 2 332.513 3.432 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC000310607532 154141945 /nfs/dbraw/zinc/14/19/45/154141945.db2.gz AHJPCBPFYAAYDX-UZLBHIALSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC000310607532 154141949 /nfs/dbraw/zinc/14/19/49/154141949.db2.gz AHJPCBPFYAAYDX-UZLBHIALSA-N 2 2 340.467 3.456 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810228 154180483 /nfs/dbraw/zinc/18/04/83/154180483.db2.gz KANOECNVICWPTR-NOLJZWGESA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810228 154180485 /nfs/dbraw/zinc/18/04/85/154180485.db2.gz KANOECNVICWPTR-NOLJZWGESA-N 2 2 344.377 3.099 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000337399840 154333305 /nfs/dbraw/zinc/33/33/05/154333305.db2.gz QPDHTSLDLGPZGA-RDJZCZTQSA-N 2 2 334.504 3.265 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000337399840 154333308 /nfs/dbraw/zinc/33/33/08/154333308.db2.gz QPDHTSLDLGPZGA-RDJZCZTQSA-N 2 2 334.504 3.265 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1C ZINC000341037185 155127058 /nfs/dbraw/zinc/12/70/58/155127058.db2.gz AGNKWXQQZQOBCH-UHFFFAOYSA-N 2 2 338.455 3.243 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1C ZINC000341037185 155127060 /nfs/dbraw/zinc/12/70/60/155127060.db2.gz AGNKWXQQZQOBCH-UHFFFAOYSA-N 2 2 338.455 3.243 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308093 156048225 /nfs/dbraw/zinc/04/82/25/156048225.db2.gz HJSZCVWLPIPNIW-ROUUACIJSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308093 156048229 /nfs/dbraw/zinc/04/82/29/156048229.db2.gz HJSZCVWLPIPNIW-ROUUACIJSA-N 2 2 349.906 3.111 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C[NH3+])C1 ZINC000346837605 156158190 /nfs/dbraw/zinc/15/81/90/156158190.db2.gz WPWPIFCBNYMLAF-MSOLQXFVSA-N 2 2 341.455 3.120 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C[NH3+])C1 ZINC000346837605 156158198 /nfs/dbraw/zinc/15/81/98/156158198.db2.gz WPWPIFCBNYMLAF-MSOLQXFVSA-N 2 2 341.455 3.120 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000346864295 156167819 /nfs/dbraw/zinc/16/78/19/156167819.db2.gz MQLNAHZUIXMOIM-XFKSJGNHSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000346864295 156167824 /nfs/dbraw/zinc/16/78/24/156167824.db2.gz MQLNAHZUIXMOIM-XFKSJGNHSA-N 2 2 331.504 3.087 20 0 EGADLP CC(C)c1nc(NCC2CC[NH+](Cc3cccs3)CC2)cc[nH+]1 ZINC000346931533 156201950 /nfs/dbraw/zinc/20/19/50/156201950.db2.gz CEPYAGVJJRAVQW-UHFFFAOYSA-N 2 2 330.501 3.408 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017843 156251605 /nfs/dbraw/zinc/25/16/05/156251605.db2.gz KOZKBPFBQDHBAY-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017843 156251607 /nfs/dbraw/zinc/25/16/07/156251607.db2.gz KOZKBPFBQDHBAY-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC000344887501 296736122 /nfs/dbraw/zinc/73/61/22/296736122.db2.gz SGBFQTAUFLKLCU-NALKNOBHSA-N 2 2 344.503 3.029 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000365642292 157203051 /nfs/dbraw/zinc/20/30/51/157203051.db2.gz VYVHHTFFICJIFW-CQSZACIVSA-N 2 2 346.862 3.282 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000365642292 157203055 /nfs/dbraw/zinc/20/30/55/157203055.db2.gz VYVHHTFFICJIFW-CQSZACIVSA-N 2 2 346.862 3.282 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660212 162019491 /nfs/dbraw/zinc/01/94/91/162019491.db2.gz KJSQPXLWKCXRAO-SFHVURJKSA-N 2 2 330.451 3.318 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660212 162019496 /nfs/dbraw/zinc/01/94/96/162019496.db2.gz KJSQPXLWKCXRAO-SFHVURJKSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660212 162019501 /nfs/dbraw/zinc/01/95/01/162019501.db2.gz KJSQPXLWKCXRAO-SFHVURJKSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660212 162019506 /nfs/dbraw/zinc/01/95/06/162019506.db2.gz KJSQPXLWKCXRAO-SFHVURJKSA-N 2 2 330.451 3.318 20 0 EGADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793226 162111903 /nfs/dbraw/zinc/11/19/03/162111903.db2.gz IBJMROIEGGPLEV-MRXNPFEDSA-N 2 2 345.447 3.014 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000109788018 162112058 /nfs/dbraw/zinc/11/20/58/162112058.db2.gz PWEXGJUVPSQRAX-KRWDZBQOSA-N 2 2 331.504 3.012 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000109788018 162112063 /nfs/dbraw/zinc/11/20/63/162112063.db2.gz PWEXGJUVPSQRAX-KRWDZBQOSA-N 2 2 331.504 3.012 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000112709759 162186594 /nfs/dbraw/zinc/18/65/94/162186594.db2.gz QNIMIUCECUKWMC-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000112709759 162186596 /nfs/dbraw/zinc/18/65/96/162186596.db2.gz QNIMIUCECUKWMC-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000125202092 162267155 /nfs/dbraw/zinc/26/71/55/162267155.db2.gz YISNPICBIMFJGT-UHFFFAOYSA-N 2 2 338.517 3.342 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000125202092 162267159 /nfs/dbraw/zinc/26/71/59/162267159.db2.gz YISNPICBIMFJGT-UHFFFAOYSA-N 2 2 338.517 3.342 20 0 EGADLP Cc1oncc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000128938738 162340637 /nfs/dbraw/zinc/34/06/37/162340637.db2.gz CTSCFQPUIXFSJU-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000128938738 162340641 /nfs/dbraw/zinc/34/06/41/162340641.db2.gz CTSCFQPUIXFSJU-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000128938738 162340647 /nfs/dbraw/zinc/34/06/47/162340647.db2.gz CTSCFQPUIXFSJU-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000128938738 162340652 /nfs/dbraw/zinc/34/06/52/162340652.db2.gz CTSCFQPUIXFSJU-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP CCCCc1noc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)n1 ZINC000337044890 163114021 /nfs/dbraw/zinc/11/40/21/163114021.db2.gz FBNCDNBWDDIXPW-XIRDDKMYSA-N 2 2 328.460 3.148 20 0 EGADLP CCCCc1noc([C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)n1 ZINC000337044890 163114023 /nfs/dbraw/zinc/11/40/23/163114023.db2.gz FBNCDNBWDDIXPW-XIRDDKMYSA-N 2 2 328.460 3.148 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337194138 163159340 /nfs/dbraw/zinc/15/93/40/163159340.db2.gz AAXTVEGVXXXPEE-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337194138 163159343 /nfs/dbraw/zinc/15/93/43/163159343.db2.gz AAXTVEGVXXXPEE-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP OC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1F ZINC000337233825 163172314 /nfs/dbraw/zinc/17/23/14/163172314.db2.gz WPGJLADNTISCSO-QGZVFWFLSA-N 2 2 345.805 3.488 20 0 EGADLP COc1cc[nH+]c(N2CCN(c3[nH+]ccc4ccc(F)cc43)CC2)c1 ZINC000354339691 166005838 /nfs/dbraw/zinc/00/58/38/166005838.db2.gz MEILOULXNPAOCK-UHFFFAOYSA-N 2 2 338.386 3.104 20 0 EGADLP CSc1ccc([C@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)cc1 ZINC000338831749 163358846 /nfs/dbraw/zinc/35/88/46/163358846.db2.gz LNZYUWNZWPIRLK-KRWDZBQOSA-N 2 2 330.501 3.260 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000343763719 164028982 /nfs/dbraw/zinc/02/89/82/164028982.db2.gz VZCKRKMROBPHSF-UHFFFAOYSA-N 2 2 335.492 3.497 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000343774707 164031888 /nfs/dbraw/zinc/03/18/88/164031888.db2.gz VQNPUBSCMHWJJQ-AWEZNQCLSA-N 2 2 345.874 3.463 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000343774707 164031890 /nfs/dbraw/zinc/03/18/90/164031890.db2.gz VQNPUBSCMHWJJQ-AWEZNQCLSA-N 2 2 345.874 3.463 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503829 164388127 /nfs/dbraw/zinc/38/81/27/164388127.db2.gz WMGZJUXVBKXZRQ-MGPUTAFESA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503829 164388129 /nfs/dbraw/zinc/38/81/29/164388129.db2.gz WMGZJUXVBKXZRQ-MGPUTAFESA-N 2 2 325.431 3.384 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000354972986 166076300 /nfs/dbraw/zinc/07/63/00/166076300.db2.gz VOJIPDOLNUPYQO-VIBAHUMZSA-N 2 2 342.512 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000354972986 166076302 /nfs/dbraw/zinc/07/63/02/166076302.db2.gz VOJIPDOLNUPYQO-VIBAHUMZSA-N 2 2 342.512 3.408 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(C(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352078486 165223744 /nfs/dbraw/zinc/22/37/44/165223744.db2.gz YXCOOAFVTGEHSW-GOEBONIOSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(C(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352078486 165223747 /nfs/dbraw/zinc/22/37/47/165223747.db2.gz YXCOOAFVTGEHSW-GOEBONIOSA-N 2 2 334.414 3.278 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000352091011 165230465 /nfs/dbraw/zinc/23/04/65/165230465.db2.gz CPKXCLQCWBNEHF-NQIIRXRSSA-N 2 2 338.451 3.035 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000352091011 165230469 /nfs/dbraw/zinc/23/04/69/165230469.db2.gz CPKXCLQCWBNEHF-NQIIRXRSSA-N 2 2 338.451 3.035 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)cc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355036597 166090951 /nfs/dbraw/zinc/09/09/51/166090951.db2.gz WSTFXWLVJBASNQ-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2ccc(F)cc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355036597 166090952 /nfs/dbraw/zinc/09/09/52/166090952.db2.gz WSTFXWLVJBASNQ-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355702891 166285904 /nfs/dbraw/zinc/28/59/04/166285904.db2.gz RAJJYZAUKWCHOP-UHFFFAOYSA-N 2 2 333.395 3.454 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359058873 167054542 /nfs/dbraw/zinc/05/45/42/167054542.db2.gz ONGYAYKMRYNNIM-MSOLQXFVSA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359058873 167054548 /nfs/dbraw/zinc/05/45/48/167054548.db2.gz ONGYAYKMRYNNIM-MSOLQXFVSA-N 2 2 328.456 3.047 20 0 EGADLP C[C@@H](COc1cccc(F)c1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000360243083 167280470 /nfs/dbraw/zinc/28/04/70/167280470.db2.gz TURFASOLNWCEFW-INIZCTEOSA-N 2 2 343.446 3.242 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250236 167282019 /nfs/dbraw/zinc/28/20/19/167282019.db2.gz OHSQGAMJGJDUHZ-CZUORRHYSA-N 2 2 331.287 3.491 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552317 167356033 /nfs/dbraw/zinc/35/60/33/167356033.db2.gz NTIKMTATAXJRJN-VGSWGCGISA-N 2 2 349.478 3.366 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552317 167356036 /nfs/dbraw/zinc/35/60/36/167356036.db2.gz NTIKMTATAXJRJN-VGSWGCGISA-N 2 2 349.478 3.366 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000366084748 168080799 /nfs/dbraw/zinc/08/07/99/168080799.db2.gz IOCMDEYEJAOQDG-WSTZPKSXSA-N 2 2 326.488 3.339 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000366246342 168097745 /nfs/dbraw/zinc/09/77/45/168097745.db2.gz DSLTXYMWXMLUKD-QGZVFWFLSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1ccncc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366451456 168122757 /nfs/dbraw/zinc/12/27/57/168122757.db2.gz SFHSPLZJEKIQII-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1ccncc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366451456 168122758 /nfs/dbraw/zinc/12/27/58/168122758.db2.gz SFHSPLZJEKIQII-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000367321123 168207497 /nfs/dbraw/zinc/20/74/97/168207497.db2.gz CXILPMRGWDXQBV-UHFFFAOYSA-N 2 2 343.515 3.437 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000367321123 168207500 /nfs/dbraw/zinc/20/75/00/168207500.db2.gz CXILPMRGWDXQBV-UHFFFAOYSA-N 2 2 343.515 3.437 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)s2)cn1 ZINC000367348357 168212076 /nfs/dbraw/zinc/21/20/76/168212076.db2.gz HXLUZHOMVPESBK-CQSZACIVSA-N 2 2 341.484 3.262 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)s2)cn1 ZINC000367348357 168212077 /nfs/dbraw/zinc/21/20/77/168212077.db2.gz HXLUZHOMVPESBK-CQSZACIVSA-N 2 2 341.484 3.262 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000122320077 222061281 /nfs/dbraw/zinc/06/12/81/222061281.db2.gz IMTDUECENJJTIX-JKSUJKDBSA-N 2 2 348.491 3.309 20 0 EGADLP CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000123158082 222226759 /nfs/dbraw/zinc/22/67/59/222226759.db2.gz BNFUBLAAPRDSPW-UHFFFAOYSA-N 2 2 347.503 3.071 20 0 EGADLP CCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000177272273 265244658 /nfs/dbraw/zinc/24/46/58/265244658.db2.gz ZJKHJKBWPRWJSD-RBUKOAKNSA-N 2 2 330.520 3.104 20 0 EGADLP CCC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000177272273 265244659 /nfs/dbraw/zinc/24/46/59/265244659.db2.gz ZJKHJKBWPRWJSD-RBUKOAKNSA-N 2 2 330.520 3.104 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)c2cc1C ZINC000177580421 265264730 /nfs/dbraw/zinc/26/47/30/265264730.db2.gz SVKUJOLGQCXOMI-FGTMMUONSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)c2cc1C ZINC000177580421 265264734 /nfs/dbraw/zinc/26/47/34/265264734.db2.gz SVKUJOLGQCXOMI-FGTMMUONSA-N 2 2 327.472 3.136 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177927394 265287451 /nfs/dbraw/zinc/28/74/51/265287451.db2.gz NPCNSSNMAAMYAS-OCCSQVGLSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000177927394 265287453 /nfs/dbraw/zinc/28/74/53/265287453.db2.gz NPCNSSNMAAMYAS-OCCSQVGLSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@@H+]1C1CC1 ZINC000178103075 265294477 /nfs/dbraw/zinc/29/44/77/265294477.db2.gz ZRGLOEIBYMOUGJ-WMLDXEAASA-N 2 2 330.472 3.357 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@H+]1C1CC1 ZINC000178103075 265294480 /nfs/dbraw/zinc/29/44/80/265294480.db2.gz ZRGLOEIBYMOUGJ-WMLDXEAASA-N 2 2 330.472 3.357 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000178329952 265309140 /nfs/dbraw/zinc/30/91/40/265309140.db2.gz UHZFPUWBVFYILW-YOEHRIQHSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000178329952 265309144 /nfs/dbraw/zinc/30/91/44/265309144.db2.gz UHZFPUWBVFYILW-YOEHRIQHSA-N 2 2 342.430 3.295 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507145 265322624 /nfs/dbraw/zinc/32/26/24/265322624.db2.gz TVZVBVYIBJAWPN-UEKVPHQBSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507145 265322626 /nfs/dbraw/zinc/32/26/26/265322626.db2.gz TVZVBVYIBJAWPN-UEKVPHQBSA-N 2 2 329.257 3.407 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194382455 266112140 /nfs/dbraw/zinc/11/21/40/266112140.db2.gz QQMOQDQYUDFQIQ-HNNXBMFYSA-N 2 2 327.925 3.003 20 0 EGADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194382455 266112144 /nfs/dbraw/zinc/11/21/44/266112144.db2.gz QQMOQDQYUDFQIQ-HNNXBMFYSA-N 2 2 327.925 3.003 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)[N@H+](C)C1CC1 ZINC000223234453 266196014 /nfs/dbraw/zinc/19/60/14/266196014.db2.gz XWDFRSOPEGMZBB-MLGOLLRUSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)[N@@H+](C)C1CC1 ZINC000223234453 266196016 /nfs/dbraw/zinc/19/60/16/266196016.db2.gz XWDFRSOPEGMZBB-MLGOLLRUSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000235143458 266206661 /nfs/dbraw/zinc/20/66/61/266206661.db2.gz OSUKHZWFPLZSIG-QWHCGFSZSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1)[N@@H+](C)C1CC1 ZINC000235143458 266206666 /nfs/dbraw/zinc/20/66/66/266206666.db2.gz OSUKHZWFPLZSIG-QWHCGFSZSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1cccc(-n2cc[nH+]c2)c1 ZINC000237516029 266236855 /nfs/dbraw/zinc/23/68/55/266236855.db2.gz BTZYFLAYLNBIJH-SNRMKQJTSA-N 2 2 340.471 3.347 20 0 EGADLP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268881520 266285346 /nfs/dbraw/zinc/28/53/46/266285346.db2.gz HZDQZVXITRTRCJ-HKUYNNGSSA-N 2 2 333.520 3.008 20 0 EGADLP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268881520 266285351 /nfs/dbraw/zinc/28/53/51/266285351.db2.gz HZDQZVXITRTRCJ-HKUYNNGSSA-N 2 2 333.520 3.008 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269728449 266348049 /nfs/dbraw/zinc/34/80/49/266348049.db2.gz XATMLMXYBOETPK-QGZVFWFLSA-N 2 2 327.428 3.355 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269728449 266348051 /nfs/dbraw/zinc/34/80/51/266348051.db2.gz XATMLMXYBOETPK-QGZVFWFLSA-N 2 2 327.428 3.355 20 0 EGADLP Cc1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000274474949 267244295 /nfs/dbraw/zinc/24/42/95/267244295.db2.gz NCHTZDIUUDTQMS-AWEZNQCLSA-N 2 2 330.451 3.120 20 0 EGADLP C[C@H]([NH2+][C@@H](CCO)c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274792381 267287774 /nfs/dbraw/zinc/28/77/74/267287774.db2.gz SAHQVWXFIOHWIK-WDSOQIARSA-N 2 2 328.456 3.203 20 0 EGADLP C[C@H]([NH2+][C@@H](CCO)c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274792381 267287777 /nfs/dbraw/zinc/28/77/77/267287777.db2.gz SAHQVWXFIOHWIK-WDSOQIARSA-N 2 2 328.456 3.203 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000275108117 267319081 /nfs/dbraw/zinc/31/90/81/267319081.db2.gz FJYHYLDVHMRMBJ-MLGOLLRUSA-N 2 2 345.830 3.255 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000358904016 274497419 /nfs/dbraw/zinc/49/74/19/274497419.db2.gz NQKCSUHHKRNGPT-IUODEOHRSA-N 2 2 334.261 3.181 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000097927984 275156505 /nfs/dbraw/zinc/15/65/05/275156505.db2.gz CLFVPWZWTDCIHM-INIZCTEOSA-N 2 2 337.305 3.380 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C12CCC2 ZINC000271888196 275238911 /nfs/dbraw/zinc/23/89/11/275238911.db2.gz REPBOEHQTZYFOU-RTBURBONSA-N 2 2 325.456 3.369 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274891027 275248190 /nfs/dbraw/zinc/24/81/90/275248190.db2.gz JIEJMAVLIMETTN-AOIWGVFYSA-N 2 2 349.482 3.291 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274891027 275248192 /nfs/dbraw/zinc/24/81/92/275248192.db2.gz JIEJMAVLIMETTN-AOIWGVFYSA-N 2 2 349.482 3.291 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000278703750 275266966 /nfs/dbraw/zinc/26/69/66/275266966.db2.gz NZDOZJGDMZSJRN-UHFFFAOYSA-N 2 2 336.439 3.320 20 0 EGADLP CC(C)n1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278876861 275283393 /nfs/dbraw/zinc/28/33/93/275283393.db2.gz MPLQJCFFZNNYOH-UHFFFAOYSA-N 2 2 327.476 3.376 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)CC1 ZINC000279287811 275319459 /nfs/dbraw/zinc/31/94/59/275319459.db2.gz YHOZACDFRDCOMY-UHFFFAOYSA-N 2 2 326.444 3.213 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)no1 ZINC000279536181 275338068 /nfs/dbraw/zinc/33/80/68/275338068.db2.gz HUZCLVWLEAYLLB-JKSUJKDBSA-N 2 2 329.444 3.055 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)no1 ZINC000279536181 275338070 /nfs/dbraw/zinc/33/80/70/275338070.db2.gz HUZCLVWLEAYLLB-JKSUJKDBSA-N 2 2 329.444 3.055 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC=CCC2)c(Cl)c1 ZINC000279866770 275367576 /nfs/dbraw/zinc/36/75/76/275367576.db2.gz SXUVCVLQHZEHOH-HNNXBMFYSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000279866770 275367577 /nfs/dbraw/zinc/36/75/77/275367577.db2.gz SXUVCVLQHZEHOH-HNNXBMFYSA-N 2 2 335.879 3.217 20 0 EGADLP Fc1cc(C[NH2+][C@H]2CCCC23CCOCC3)ccc1-n1cc[nH+]c1 ZINC000282598348 275652064 /nfs/dbraw/zinc/65/20/64/275652064.db2.gz HJPQNVUWMPQRJS-SFHVURJKSA-N 2 2 329.419 3.450 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000283178224 275703264 /nfs/dbraw/zinc/70/32/64/275703264.db2.gz JQZKTWQDVHHVAZ-QZTJIDSGSA-N 2 2 327.428 3.045 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CCO1 ZINC000285336232 275865972 /nfs/dbraw/zinc/86/59/72/275865972.db2.gz UNFLTXZBPBOTCH-BJZITVGISA-N 2 2 327.428 3.013 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000285416763 275873679 /nfs/dbraw/zinc/87/36/79/275873679.db2.gz JJKGVQMRLOEUOZ-GFCCVEGCSA-N 2 2 338.249 3.080 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000285848621 275919095 /nfs/dbraw/zinc/91/90/95/275919095.db2.gz XSUQDKWQTYHTAD-LBPRGKRZSA-N 2 2 329.425 3.076 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121761546 276090571 /nfs/dbraw/zinc/09/05/71/276090571.db2.gz MIPMWIFNLOXCFY-HKUYNNGSSA-N 2 2 331.504 3.060 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287488233 276124338 /nfs/dbraw/zinc/12/43/38/276124338.db2.gz SQUWHJCMPGYHLH-HZPDHXFCSA-N 2 2 345.447 3.043 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287488233 276124340 /nfs/dbraw/zinc/12/43/40/276124340.db2.gz SQUWHJCMPGYHLH-HZPDHXFCSA-N 2 2 345.447 3.043 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287704954 276148980 /nfs/dbraw/zinc/14/89/80/276148980.db2.gz ZVFXXGDNXLWKAO-GOEBONIOSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000287704954 276148982 /nfs/dbraw/zinc/14/89/82/276148982.db2.gz ZVFXXGDNXLWKAO-GOEBONIOSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287764493 276155093 /nfs/dbraw/zinc/15/50/93/276155093.db2.gz RDLYYPZCFLACSZ-SWLSCSKDSA-N 2 2 327.350 3.044 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289272020 276314211 /nfs/dbraw/zinc/31/42/11/276314211.db2.gz PHJGTCHGMBNCTR-WMZOPIPTSA-N 2 2 327.476 3.138 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289272020 276314213 /nfs/dbraw/zinc/31/42/13/276314213.db2.gz PHJGTCHGMBNCTR-WMZOPIPTSA-N 2 2 327.476 3.138 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289357000 276327133 /nfs/dbraw/zinc/32/71/33/276327133.db2.gz YFPZZHOQJKGNPY-GFCCVEGCSA-N 2 2 330.457 3.034 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000289362419 276327948 /nfs/dbraw/zinc/32/79/48/276327948.db2.gz YVKZTMVSVYWADG-KRWDZBQOSA-N 2 2 325.460 3.198 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000289362419 276327949 /nfs/dbraw/zinc/32/79/49/276327949.db2.gz YVKZTMVSVYWADG-KRWDZBQOSA-N 2 2 325.460 3.198 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289475600 276344600 /nfs/dbraw/zinc/34/46/00/276344600.db2.gz JLRDPIQFIDDTKH-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289488527 276346764 /nfs/dbraw/zinc/34/67/64/276346764.db2.gz YSYOQRFWWBHHOQ-LJQANCHMSA-N 2 2 340.423 3.148 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCn1cc[nH+]c1 ZINC000289794162 276395681 /nfs/dbraw/zinc/39/56/81/276395681.db2.gz QVZIKTVNCUUPJU-LLVKDONJSA-N 2 2 326.213 3.006 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000289893715 276414283 /nfs/dbraw/zinc/41/42/83/276414283.db2.gz XDJUOCNYJBIJHJ-UHFFFAOYSA-N 2 2 346.862 3.309 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000289940895 276422629 /nfs/dbraw/zinc/42/26/29/276422629.db2.gz LMRRROJITHAJHN-SJORKVTESA-N 2 2 338.455 3.213 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000338743367 278043027 /nfs/dbraw/zinc/04/30/27/278043027.db2.gz IIHWYKQFWCBNJO-HXUWFJFHSA-N 2 2 325.456 3.474 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000338743367 278043028 /nfs/dbraw/zinc/04/30/28/278043028.db2.gz IIHWYKQFWCBNJO-HXUWFJFHSA-N 2 2 325.456 3.474 20 0 EGADLP C[C@@H](CCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195051715 278233763 /nfs/dbraw/zinc/23/37/63/278233763.db2.gz NKUYYLKMLATUBA-PXNSSMCTSA-N 2 2 349.482 3.394 20 0 EGADLP C[C@@H](CCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195051715 278233764 /nfs/dbraw/zinc/23/37/64/278233764.db2.gz NKUYYLKMLATUBA-PXNSSMCTSA-N 2 2 349.482 3.394 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000268723253 279593723 /nfs/dbraw/zinc/59/37/23/279593723.db2.gz ISXZGZMWDRAFBR-OAHLLOKOSA-N 2 2 329.448 3.154 20 0 EGADLP C[NH+](C)CC1(CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CCCC1 ZINC000188462347 289095448 /nfs/dbraw/zinc/09/54/48/289095448.db2.gz XNHAUVGMTUQDRQ-KRWDZBQOSA-N 2 2 330.451 3.350 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157281773 289345872 /nfs/dbraw/zinc/34/58/72/289345872.db2.gz WLXSHGLZCRFYOW-CHPDAQJUSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157281773 289345877 /nfs/dbraw/zinc/34/58/77/289345877.db2.gz WLXSHGLZCRFYOW-CHPDAQJUSA-N 2 2 335.536 3.020 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)c1 ZINC000261701829 295325976 /nfs/dbraw/zinc/32/59/76/295325976.db2.gz OTOFFZBCPOZQKD-AABGKKOBSA-N 2 2 325.456 3.032 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@@H](C)C1 ZINC000344825110 300523532 /nfs/dbraw/zinc/52/35/32/300523532.db2.gz JPENIEVAYIRNNM-NALKNOBHSA-N 2 2 344.503 3.029 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000414058738 309058212 /nfs/dbraw/zinc/05/82/12/309058212.db2.gz HULXRIXTRASMRC-INIZCTEOSA-N 2 2 336.439 3.056 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414083509 309059838 /nfs/dbraw/zinc/05/98/38/309059838.db2.gz WQSYWLJEOLDUJB-SJORKVTESA-N 2 2 339.483 3.058 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000414083509 309059839 /nfs/dbraw/zinc/05/98/39/309059839.db2.gz WQSYWLJEOLDUJB-SJORKVTESA-N 2 2 339.483 3.058 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124313 309062269 /nfs/dbraw/zinc/06/22/69/309062269.db2.gz BZCXBBCYYCDABJ-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124313 309062270 /nfs/dbraw/zinc/06/22/70/309062270.db2.gz BZCXBBCYYCDABJ-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000137939949 307719019 /nfs/dbraw/zinc/71/90/19/307719019.db2.gz SGRXZQMWSSZYPW-IAGOWNOFSA-N 2 2 332.517 3.396 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccccn1 ZINC000414267954 309069558 /nfs/dbraw/zinc/06/95/58/309069558.db2.gz NQJCZTNTPMZPIB-YFVAEKQCSA-N 2 2 339.483 3.269 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccccn1 ZINC000414267954 309069559 /nfs/dbraw/zinc/06/95/59/309069559.db2.gz NQJCZTNTPMZPIB-YFVAEKQCSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)nn1C ZINC000414281053 309070385 /nfs/dbraw/zinc/07/03/85/309070385.db2.gz FEEXSXNESCILCZ-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)nn1C ZINC000414281053 309070386 /nfs/dbraw/zinc/07/03/86/309070386.db2.gz FEEXSXNESCILCZ-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nn1C ZINC000414325970 309073158 /nfs/dbraw/zinc/07/31/58/309073158.db2.gz XQVICIHQIKNXEV-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3cccnc3)CC1)CO2 ZINC000414386592 309077001 /nfs/dbraw/zinc/07/70/01/309077001.db2.gz YVTPQIORFGWUFU-GOSISDBHSA-N 2 2 343.858 3.423 20 0 EGADLP CC(C)O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971165 308085659 /nfs/dbraw/zinc/08/56/59/308085659.db2.gz WPWCYDXKEHOOLS-PZJWPPBQSA-N 2 2 346.515 3.197 20 0 EGADLP CC(C)O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971165 308085661 /nfs/dbraw/zinc/08/56/61/308085661.db2.gz WPWCYDXKEHOOLS-PZJWPPBQSA-N 2 2 346.515 3.197 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019072 308090641 /nfs/dbraw/zinc/09/06/41/308090641.db2.gz QOQPVJCUJLMISQ-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019072 308090643 /nfs/dbraw/zinc/09/06/43/308090643.db2.gz QOQPVJCUJLMISQ-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019072 308090645 /nfs/dbraw/zinc/09/06/45/308090645.db2.gz QOQPVJCUJLMISQ-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019072 308090647 /nfs/dbraw/zinc/09/06/47/308090647.db2.gz QOQPVJCUJLMISQ-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP c1cn(-c2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000294256279 308204278 /nfs/dbraw/zinc/20/42/78/308204278.db2.gz QJOJCVRKRPBNDZ-UHFFFAOYSA-N 3 2 333.439 3.026 20 0 EGADLP COc1ccc([C@H](C[NH2+]Cc2ccncc2C)[NH+]2CCCC2)cc1 ZINC000294688258 308246021 /nfs/dbraw/zinc/24/60/21/308246021.db2.gz FVMUGRURIORKCE-FQEVSTJZSA-N 2 2 325.456 3.325 20 0 EGADLP Brc1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000294849868 308263717 /nfs/dbraw/zinc/26/37/17/308263717.db2.gz BZBYNYZSCWFPFG-SECBINFHSA-N 2 2 327.251 3.008 20 0 EGADLP Brc1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000294849868 308263718 /nfs/dbraw/zinc/26/37/18/308263718.db2.gz BZBYNYZSCWFPFG-SECBINFHSA-N 2 2 327.251 3.008 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958877 308378822 /nfs/dbraw/zinc/37/88/22/308378822.db2.gz HRWKLPGOPUBZOS-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958877 308378823 /nfs/dbraw/zinc/37/88/23/308378823.db2.gz HRWKLPGOPUBZOS-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(F)c1Br ZINC000295958877 308378825 /nfs/dbraw/zinc/37/88/25/308378825.db2.gz HRWKLPGOPUBZOS-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(F)c1Br ZINC000295958877 308378826 /nfs/dbraw/zinc/37/88/26/308378826.db2.gz HRWKLPGOPUBZOS-FZMZJTMJSA-N 2 2 329.257 3.360 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000296070555 308390570 /nfs/dbraw/zinc/39/05/70/308390570.db2.gz PVWUFSQXZJATBL-WMLDXEAASA-N 3 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000296070555 308390571 /nfs/dbraw/zinc/39/05/71/308390571.db2.gz PVWUFSQXZJATBL-WMLDXEAASA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000296070555 308390572 /nfs/dbraw/zinc/39/05/72/308390572.db2.gz PVWUFSQXZJATBL-WMLDXEAASA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000296070555 308390573 /nfs/dbraw/zinc/39/05/73/308390573.db2.gz PVWUFSQXZJATBL-WMLDXEAASA-N 2 2 332.879 3.346 20 0 EGADLP COc1cccc(C[N@H+](CC[NH2+]C(C)(C)C)C2CCC(O)CC2)c1 ZINC000414744083 309098464 /nfs/dbraw/zinc/09/84/64/309098464.db2.gz JHJZVFFWQZAGHL-UHFFFAOYSA-N 2 2 334.504 3.189 20 0 EGADLP COc1cccc(C[N@@H+](CC[NH2+]C(C)(C)C)C2CCC(O)CC2)c1 ZINC000414744083 309098465 /nfs/dbraw/zinc/09/84/65/309098465.db2.gz JHJZVFFWQZAGHL-UHFFFAOYSA-N 2 2 334.504 3.189 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2Cl)CC12CCOCC2 ZINC000414781539 309100628 /nfs/dbraw/zinc/10/06/28/309100628.db2.gz NEIPQUPHMRVMMA-GFCCVEGCSA-N 2 2 347.261 3.320 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2Cl)CC12CCOCC2 ZINC000414781539 309100629 /nfs/dbraw/zinc/10/06/29/309100629.db2.gz NEIPQUPHMRVMMA-GFCCVEGCSA-N 2 2 347.261 3.320 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC12CCOCC2 ZINC000414788156 309101391 /nfs/dbraw/zinc/10/13/91/309101391.db2.gz WIEOWFRWBGUFAP-CQSZACIVSA-N 2 2 346.368 3.032 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC12CCOCC2 ZINC000414788156 309101392 /nfs/dbraw/zinc/10/13/92/309101392.db2.gz WIEOWFRWBGUFAP-CQSZACIVSA-N 2 2 346.368 3.032 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000298345315 308605340 /nfs/dbraw/zinc/60/53/40/308605340.db2.gz JNISWJLWMBPGBX-OAQYLSRUSA-N 3 2 338.499 3.251 20 0 EGADLP c1c(C[NH2+]C[C@H]2CCC[NH2+]2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414820415 309103695 /nfs/dbraw/zinc/10/36/95/309103695.db2.gz AUZVJTQPECNFEJ-OAQYLSRUSA-N 2 2 346.478 3.440 20 0 EGADLP c1sc(COc2ccccc2)nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414823512 309103797 /nfs/dbraw/zinc/10/37/97/309103797.db2.gz DQYUOMNXICDUID-YIONKMFJSA-N 2 2 329.469 3.095 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414821602 309103828 /nfs/dbraw/zinc/10/38/28/309103828.db2.gz CMEXUJFKFWMCAB-AWEZNQCLSA-N 2 2 327.266 3.080 20 0 EGADLP Cc1nc(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301712428 308711977 /nfs/dbraw/zinc/71/19/77/308711977.db2.gz YHPFWLDMBIPTHK-OAHLLOKOSA-N 2 2 339.487 3.024 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301850101 308718236 /nfs/dbraw/zinc/71/82/36/308718236.db2.gz ATSFJADOFPILTO-GJZGRUSLSA-N 2 2 327.476 3.382 20 0 EGADLP Cc1ccc([C@@H](CNc2nc(C(C)C)[nH+]c(N(C)C)n2)[NH+](C)C)cc1 ZINC000301995088 308724530 /nfs/dbraw/zinc/72/45/30/308724530.db2.gz OBSDHKAZDAZRDE-MRXNPFEDSA-N 2 2 342.491 3.084 20 0 EGADLP COc1cccc2c(NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc[nH+]c12 ZINC000302418209 308737034 /nfs/dbraw/zinc/73/70/34/308737034.db2.gz IJNRVJBXFAYNIK-HUUCEWRRSA-N 2 2 329.444 3.155 20 0 EGADLP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330313500 308794164 /nfs/dbraw/zinc/79/41/64/308794164.db2.gz OURMWKYEVLVKDI-RDYUPDBUSA-N 2 2 336.439 3.270 20 0 EGADLP C[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)S1=O ZINC000411617806 308945815 /nfs/dbraw/zinc/94/58/15/308945815.db2.gz HLTWQUOWQHXOJV-IAGOWNOFSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139787 309017946 /nfs/dbraw/zinc/01/79/46/309017946.db2.gz KTURUSVNMPSOBP-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139787 309017947 /nfs/dbraw/zinc/01/79/47/309017947.db2.gz KTURUSVNMPSOBP-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139787 309017948 /nfs/dbraw/zinc/01/79/48/309017948.db2.gz KTURUSVNMPSOBP-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139787 309017949 /nfs/dbraw/zinc/01/79/49/309017949.db2.gz KTURUSVNMPSOBP-HOTGVXAUSA-N 2 2 329.492 3.142 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000414848742 309105387 /nfs/dbraw/zinc/10/53/87/309105387.db2.gz XEASOSYTMSCEOK-MRXNPFEDSA-N 3 2 335.923 3.284 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000414867342 309106372 /nfs/dbraw/zinc/10/63/72/309106372.db2.gz IKCKPXLEKVBKIN-UHFFFAOYSA-N 2 2 341.455 3.037 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(C)ccc2OC)cc1 ZINC000414876215 309106692 /nfs/dbraw/zinc/10/66/92/309106692.db2.gz CXXKHDMFQHABIL-UXHICEINSA-N 2 2 340.467 3.248 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414892386 309107757 /nfs/dbraw/zinc/10/77/57/309107757.db2.gz WZFVDXAQEFVKHT-HZPDHXFCSA-N 2 2 330.394 3.167 20 0 EGADLP [NH3+]C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc2ccccc2c1 ZINC000414944891 309110521 /nfs/dbraw/zinc/11/05/21/309110521.db2.gz QQPCJBBGNLUXHY-GOSISDBHSA-N 2 2 333.426 3.159 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000414953835 309111095 /nfs/dbraw/zinc/11/10/95/309111095.db2.gz RZUIHBFNYWNRNZ-YJBOKZPZSA-N 2 2 348.441 3.152 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415035912 309115809 /nfs/dbraw/zinc/11/58/09/309115809.db2.gz JHVQMBLZXDMETN-HNNXBMFYSA-N 2 2 326.868 3.368 20 0 EGADLP Clc1ccc(Cl)c(-c2csc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)n2)c1 ZINC000415040164 309115834 /nfs/dbraw/zinc/11/58/34/309115834.db2.gz PWJPYNUANLGYCW-HBYGRHMLSA-N 2 2 340.279 3.424 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415045736 309116305 /nfs/dbraw/zinc/11/63/05/309116305.db2.gz UFOZEVIXONHZEE-LBPRGKRZSA-N 2 2 349.219 3.281 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cncc(Br)c1 ZINC000415061369 309117568 /nfs/dbraw/zinc/11/75/68/309117568.db2.gz CNNMYSWROADQJZ-INIZCTEOSA-N 2 2 334.261 3.196 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000415065479 309117936 /nfs/dbraw/zinc/11/79/36/309117936.db2.gz MVVGMFQNGSPVFI-HXUWFJFHSA-N 2 2 349.482 3.236 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000415087447 309119366 /nfs/dbraw/zinc/11/93/66/309119366.db2.gz UODSDJFAYIYRPK-RYQLBKOJSA-N 3 2 328.435 3.022 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Sc3ccccc3)cc2)CCCO1 ZINC000415116957 309121371 /nfs/dbraw/zinc/12/13/71/309121371.db2.gz YOQUOKLNDDPLJT-KRWDZBQOSA-N 2 2 328.481 3.387 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Sc3ccccc3)cc2)CCCO1 ZINC000415116957 309121372 /nfs/dbraw/zinc/12/13/72/309121372.db2.gz YOQUOKLNDDPLJT-KRWDZBQOSA-N 2 2 328.481 3.387 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000415122073 309121843 /nfs/dbraw/zinc/12/18/43/309121843.db2.gz JKXZHDRJJPIVDA-UHFFFAOYSA-N 2 2 328.504 3.270 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000415122073 309121844 /nfs/dbraw/zinc/12/18/44/309121844.db2.gz JKXZHDRJJPIVDA-UHFFFAOYSA-N 2 2 328.504 3.270 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415295719 309130152 /nfs/dbraw/zinc/13/01/52/309130152.db2.gz QXHRINUREQZORQ-UHFFFAOYSA-N 2 2 341.459 3.353 20 0 EGADLP Cc1cc(NC(=O)NCCC[NH2+]C2CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000415465595 309134251 /nfs/dbraw/zinc/13/42/51/309134251.db2.gz SFAZITWCRUJPIR-HNNXBMFYSA-N 2 2 345.491 3.032 20 0 EGADLP CC[NH2+][C@H](C)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415593312 309137754 /nfs/dbraw/zinc/13/77/54/309137754.db2.gz GQFHSGWZAMYIGK-CQSZACIVSA-N 2 2 341.459 3.006 20 0 EGADLP CCn1c[nH+]cc1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000417700047 309218589 /nfs/dbraw/zinc/21/85/89/309218589.db2.gz LVHVWOSRWAPFKB-UHFFFAOYSA-N 2 2 326.488 3.044 20 0 EGADLP CCn1c[nH+]cc1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000417700047 309218590 /nfs/dbraw/zinc/21/85/90/309218590.db2.gz LVHVWOSRWAPFKB-UHFFFAOYSA-N 2 2 326.488 3.044 20 0 EGADLP CCn1c[nH+]cc1CNc1cc(C[NH+]2CCSCC2)ccc1C ZINC000417848215 309225001 /nfs/dbraw/zinc/22/50/01/309225001.db2.gz KHBPGIVLWVOMIQ-UHFFFAOYSA-N 2 2 330.501 3.372 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n(C)n1 ZINC000417908778 309228009 /nfs/dbraw/zinc/22/80/09/309228009.db2.gz DESBEIXIMABFMH-FQEVSTJZSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)n(C)n1 ZINC000417908778 309228010 /nfs/dbraw/zinc/22/80/10/309228010.db2.gz DESBEIXIMABFMH-FQEVSTJZSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c[nH+]1 ZINC000418263865 309241055 /nfs/dbraw/zinc/24/10/55/309241055.db2.gz LIDOYCFDUHNUFO-LJQANCHMSA-N 2 2 340.471 3.321 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000419298176 309263575 /nfs/dbraw/zinc/26/35/75/309263575.db2.gz VXZNDRAZAKPZKZ-MRXNPFEDSA-N 2 2 329.488 3.237 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1 ZINC000420297229 309279849 /nfs/dbraw/zinc/27/98/49/309279849.db2.gz YHJRKOPBVGOONB-BBRMVZONSA-N 2 2 332.448 3.111 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)n2)cc1 ZINC000420297229 309279850 /nfs/dbraw/zinc/27/98/50/309279850.db2.gz YHJRKOPBVGOONB-BBRMVZONSA-N 2 2 332.448 3.111 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]12 ZINC000420298933 309280310 /nfs/dbraw/zinc/28/03/10/309280310.db2.gz AGRVLJYPKWHKGM-UHIISALHSA-N 2 2 335.423 3.257 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]12 ZINC000420298933 309280311 /nfs/dbraw/zinc/28/03/11/309280311.db2.gz AGRVLJYPKWHKGM-UHIISALHSA-N 2 2 335.423 3.257 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000420307868 309280714 /nfs/dbraw/zinc/28/07/14/309280714.db2.gz NBQZWOWQRNECSF-KRWDZBQOSA-N 2 2 335.423 3.274 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000420307868 309280715 /nfs/dbraw/zinc/28/07/15/309280715.db2.gz NBQZWOWQRNECSF-KRWDZBQOSA-N 2 2 335.423 3.274 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1 ZINC000420352447 309283598 /nfs/dbraw/zinc/28/35/98/309283598.db2.gz APIZWXLFNQGEPK-AWEZNQCLSA-N 2 2 344.286 3.429 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420361647 309284006 /nfs/dbraw/zinc/28/40/06/309284006.db2.gz MHKBBPJJSJDYLE-INIZCTEOSA-N 2 2 330.428 3.087 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420376694 309285181 /nfs/dbraw/zinc/28/51/81/309285181.db2.gz QYRPEJRVGRVORI-INIZCTEOSA-N 3 2 326.488 3.235 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381200 309285391 /nfs/dbraw/zinc/28/53/91/309285391.db2.gz CKJLAFFLXVDQRE-PKOBYXMFSA-N 2 2 330.472 3.252 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381200 309285392 /nfs/dbraw/zinc/28/53/92/309285392.db2.gz CKJLAFFLXVDQRE-PKOBYXMFSA-N 2 2 330.472 3.252 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420395476 309286422 /nfs/dbraw/zinc/28/64/22/309286422.db2.gz LDHWTCAMHKQCDK-YJBOKZPZSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000420395476 309286423 /nfs/dbraw/zinc/28/64/23/309286423.db2.gz LDHWTCAMHKQCDK-YJBOKZPZSA-N 2 2 329.419 3.445 20 0 EGADLP Cc1cc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc(C)[nH+]1 ZINC000420760275 309293785 /nfs/dbraw/zinc/29/37/85/309293785.db2.gz JSFLFDODCQMLFN-UHFFFAOYSA-N 2 2 332.492 3.152 20 0 EGADLP FC(F)(F)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420906281 309300262 /nfs/dbraw/zinc/30/02/62/309300262.db2.gz SDBODWCZRNZSAH-KRWDZBQOSA-N 2 2 342.405 3.293 20 0 EGADLP FC(F)(F)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420906281 309300263 /nfs/dbraw/zinc/30/02/63/309300263.db2.gz SDBODWCZRNZSAH-KRWDZBQOSA-N 2 2 342.405 3.293 20 0 EGADLP c1coc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420912735 309300780 /nfs/dbraw/zinc/30/07/80/309300780.db2.gz HYCJPIATEZDVET-IBGZPJMESA-N 2 2 326.440 3.449 20 0 EGADLP c1coc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420912735 309300781 /nfs/dbraw/zinc/30/07/81/309300781.db2.gz HYCJPIATEZDVET-IBGZPJMESA-N 2 2 326.440 3.449 20 0 EGADLP Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420926953 309301683 /nfs/dbraw/zinc/30/16/83/309301683.db2.gz YSKHZSQDOYXRAF-OAHLLOKOSA-N 2 2 331.485 3.135 20 0 EGADLP CCCC(CCC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422029382 309352052 /nfs/dbraw/zinc/35/20/52/309352052.db2.gz ZMJIQADLMUCCER-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CCCC(CCC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422029382 309352053 /nfs/dbraw/zinc/35/20/53/309352053.db2.gz ZMJIQADLMUCCER-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cc(C)[nH+]c(C)c2)c1C ZINC000422215941 309358109 /nfs/dbraw/zinc/35/81/09/309358109.db2.gz UWXJNPXPOGHQEZ-UHFFFAOYSA-N 2 2 342.443 3.060 20 0 EGADLP [NH3+][C@H]1CCCCC[C@H]1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000422722608 309365125 /nfs/dbraw/zinc/36/51/25/309365125.db2.gz PMBZIKDGLJLZDB-RBUKOAKNSA-N 2 2 337.458 3.179 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422736079 309365849 /nfs/dbraw/zinc/36/58/49/309365849.db2.gz XCZZNHJONZQYGR-IERDGZPVSA-N 3 2 338.499 3.336 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422802639 309369259 /nfs/dbraw/zinc/36/92/59/309369259.db2.gz HSHFADSPJCKVAL-MJGOQNOKSA-N 2 2 326.440 3.287 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422803670 309369275 /nfs/dbraw/zinc/36/92/75/309369275.db2.gz DHOVRRQGHQASOL-HOTGVXAUSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422820813 309370162 /nfs/dbraw/zinc/37/01/62/309370162.db2.gz SIONLQDYDQARHC-RXVVDRJESA-N 3 2 348.494 3.022 20 0 EGADLP CO[C@H](C)c1nc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cs1 ZINC000422845245 309371711 /nfs/dbraw/zinc/37/17/11/309371711.db2.gz BHHPAZUYDXVVQN-UNEWFSDZSA-N 2 2 331.485 3.433 20 0 EGADLP CO[C@H](C)c1nc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000422845244 309371729 /nfs/dbraw/zinc/37/17/29/309371729.db2.gz BHHPAZUYDXVVQN-UKPHBRMFSA-N 2 2 331.485 3.433 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422877120 309373552 /nfs/dbraw/zinc/37/35/52/309373552.db2.gz RBFCTTRTIPXARL-BHIYHBOVSA-N 2 2 332.488 3.173 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCC2)o1 ZINC000422876270 309373565 /nfs/dbraw/zinc/37/35/65/309373565.db2.gz FKCMVECOOIJNLG-RLLQIKCJSA-N 2 2 341.499 3.273 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000422879225 309373616 /nfs/dbraw/zinc/37/36/16/309373616.db2.gz LWYHSBJBZYAYGS-FZMZJTMJSA-N 2 2 327.266 3.078 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422896608 309374801 /nfs/dbraw/zinc/37/48/01/309374801.db2.gz YFKOXRMCCXDJAA-PNHOKKKMSA-N 2 2 337.467 3.449 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422932884 309376787 /nfs/dbraw/zinc/37/67/87/309376787.db2.gz ZYUZCVQMLBCILZ-MBNYWOFBSA-N 2 2 332.366 3.003 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011108 309380791 /nfs/dbraw/zinc/38/07/91/309380791.db2.gz YZYAQYBMZFCVEP-UZLBHIALSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011108 309380792 /nfs/dbraw/zinc/38/07/92/309380792.db2.gz YZYAQYBMZFCVEP-UZLBHIALSA-N 3 2 327.472 3.142 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423064165 309383860 /nfs/dbraw/zinc/38/38/60/309383860.db2.gz QRJMVJLJNCXWOI-CABCVRRESA-N 2 2 326.831 3.461 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423114240 309386604 /nfs/dbraw/zinc/38/66/04/309386604.db2.gz ZBHYPAYUWYUCDU-ICSRJNTNSA-N 2 2 335.451 3.006 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116549 309386885 /nfs/dbraw/zinc/38/68/85/309386885.db2.gz QJJVYCCIDLDCGV-XNMUZJSGSA-N 3 2 327.516 3.160 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116549 309386886 /nfs/dbraw/zinc/38/68/86/309386886.db2.gz QJJVYCCIDLDCGV-XNMUZJSGSA-N 3 2 327.516 3.160 20 0 EGADLP Fc1cc(Br)ccc1[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423184920 309389553 /nfs/dbraw/zinc/38/95/53/309389553.db2.gz IZMFPWYKYRPOJR-WFASDCNBSA-N 2 2 327.241 3.381 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423190711 309389673 /nfs/dbraw/zinc/38/96/73/309389673.db2.gz NYGQQVNVBCSCMQ-QMTHXVAHSA-N 2 2 329.669 3.431 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423211844 309390662 /nfs/dbraw/zinc/39/06/62/309390662.db2.gz HKPIPHJQKPPLBB-VNHYZAJKSA-N 2 2 347.894 3.268 20 0 EGADLP CC[NH2+]CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423235768 309391820 /nfs/dbraw/zinc/39/18/20/309391820.db2.gz BCOIGMIJEXSOCW-FQEVSTJZSA-N 2 2 328.456 3.187 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423267668 309393163 /nfs/dbraw/zinc/39/31/63/309393163.db2.gz DAEGGXNDWHVQRD-MRXNPFEDSA-N 2 2 331.504 3.351 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423274114 309393674 /nfs/dbraw/zinc/39/36/74/309393674.db2.gz JXHMMYPNCXOOTQ-OAHLLOKOSA-N 2 2 338.517 3.053 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C(C)C)c(Br)c1 ZINC000423321149 309395188 /nfs/dbraw/zinc/39/51/88/309395188.db2.gz MWBYZAXPIRUCOU-HZPDHXFCSA-N 2 2 341.293 3.482 20 0 EGADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000423332616 309395587 /nfs/dbraw/zinc/39/55/87/309395587.db2.gz DQUOLANJMVSLFO-KBXCAEBGSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423342536 309396238 /nfs/dbraw/zinc/39/62/38/309396238.db2.gz NFGCIZTYXLQVRD-HZMBPMFUSA-N 2 2 330.245 3.024 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423346005 309396368 /nfs/dbraw/zinc/39/63/68/309396368.db2.gz YFICGMAHGUTAOD-GDBMZVCRSA-N 2 2 330.394 3.167 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1NC(C)=O ZINC000423388563 309398188 /nfs/dbraw/zinc/39/81/88/309398188.db2.gz MXRSZUBZDQYFBW-SCLBCKFNSA-N 2 2 333.476 3.082 20 0 EGADLP FC(F)Oc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423425406 309399860 /nfs/dbraw/zinc/39/98/60/309399860.db2.gz GOTOERFIIQZFMT-XWTMOSNGSA-N 2 2 330.378 3.185 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2F)CCC[NH2+]1 ZINC000423447531 309400715 /nfs/dbraw/zinc/40/07/15/309400715.db2.gz ZUCGHGPIHNHDOE-NHYWBVRUSA-N 2 2 345.256 3.007 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000423557953 309406234 /nfs/dbraw/zinc/40/62/34/309406234.db2.gz IQEJTLFISLRPMV-MRXNPFEDSA-N 3 2 329.513 3.392 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2[nH+]c1C1CC1 ZINC000423810023 309413832 /nfs/dbraw/zinc/41/38/32/309413832.db2.gz LJAMZOHAIJGGTK-UNEWFSDZSA-N 2 2 338.455 3.310 20 0 EGADLP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000423815151 309414193 /nfs/dbraw/zinc/41/41/93/309414193.db2.gz HUFSKTGIXXAOIY-GJZGRUSLSA-N 2 2 343.496 3.287 20 0 EGADLP [NH3+][C@H](CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)CC1CCCCC1 ZINC000424126879 309430170 /nfs/dbraw/zinc/43/01/70/309430170.db2.gz CDLUEDXHARYVLD-IAGOWNOFSA-N 2 2 332.492 3.194 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)n2c1 ZINC000424185566 309432183 /nfs/dbraw/zinc/43/21/83/309432183.db2.gz GVOPWEBZRMAXFS-UHFFFAOYSA-N 2 2 331.460 3.490 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000424334171 309439265 /nfs/dbraw/zinc/43/92/65/309439265.db2.gz NECKMXSZLHGLCQ-SBHAEUEKSA-N 2 2 343.515 3.284 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000427863366 309537273 /nfs/dbraw/zinc/53/72/73/309537273.db2.gz YOLPHOUHYGTFSE-DYVFJYSZSA-N 2 2 326.400 3.032 20 0 EGADLP COc1ccccc1OCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429729341 309588584 /nfs/dbraw/zinc/58/85/84/309588584.db2.gz IBGRSOXVFKHYRJ-UHFFFAOYSA-N 2 2 342.439 3.321 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)c[nH+]1 ZINC000429845746 309591380 /nfs/dbraw/zinc/59/13/80/309591380.db2.gz BWGZXOQZMDESMV-SFHVURJKSA-N 2 2 341.430 3.247 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000431350102 309630666 /nfs/dbraw/zinc/63/06/66/309630666.db2.gz NMRDWRVOLWPYJD-LPHOPBHVSA-N 2 2 332.488 3.070 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691410 309717909 /nfs/dbraw/zinc/71/79/09/309717909.db2.gz QSNPORZOWSRXPR-SFHVURJKSA-N 2 2 347.503 3.377 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1F ZINC000437008509 309785490 /nfs/dbraw/zinc/78/54/90/309785490.db2.gz SDNQIXGILYFFST-JQWIXIFHSA-N 2 2 338.224 3.450 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449026315 310030177 /nfs/dbraw/zinc/03/01/77/310030177.db2.gz FJYKQSJHQAXZNM-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449026315 310030178 /nfs/dbraw/zinc/03/01/78/310030178.db2.gz FJYKQSJHQAXZNM-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137327 310039636 /nfs/dbraw/zinc/03/96/36/310039636.db2.gz FGKIQLODUOYBKW-OALUTQOASA-N 2 2 333.907 3.111 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137327 310039637 /nfs/dbraw/zinc/03/96/37/310039637.db2.gz FGKIQLODUOYBKW-OALUTQOASA-N 2 2 333.907 3.111 20 0 EGADLP CCn1nnc(C)c1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000449159277 310041116 /nfs/dbraw/zinc/04/11/16/310041116.db2.gz YYTWJVDMPSCFCK-MRXNPFEDSA-N 2 2 341.503 3.360 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1F ZINC000449167235 310041685 /nfs/dbraw/zinc/04/16/85/310041685.db2.gz ISWPMLIFQDGBGT-UXHICEINSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1F ZINC000449167235 310041686 /nfs/dbraw/zinc/04/16/86/310041686.db2.gz ISWPMLIFQDGBGT-UXHICEINSA-N 2 2 342.458 3.107 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC000449381515 310057606 /nfs/dbraw/zinc/05/76/06/310057606.db2.gz SLWOJEMTCLPCDG-CDHQVMDDSA-N 2 2 334.479 3.492 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388165 310058173 /nfs/dbraw/zinc/05/81/73/310058173.db2.gz OHTKOLKLXMYBTD-WOJBJXKFSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388165 310058174 /nfs/dbraw/zinc/05/81/74/310058174.db2.gz OHTKOLKLXMYBTD-WOJBJXKFSA-N 2 2 332.463 3.198 20 0 EGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OC ZINC000449400726 310059147 /nfs/dbraw/zinc/05/91/47/310059147.db2.gz CSWCTNZVUPJPHM-HIFRSBDPSA-N 2 2 325.522 3.060 20 0 EGADLP CC[C@@H](C)[C@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)OC ZINC000449400726 310059148 /nfs/dbraw/zinc/05/91/48/310059148.db2.gz CSWCTNZVUPJPHM-HIFRSBDPSA-N 2 2 325.522 3.060 20 0 EGADLP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449519642 310068735 /nfs/dbraw/zinc/06/87/35/310068735.db2.gz CDSURXAZSMYTOA-PXNSSMCTSA-N 2 2 329.488 3.388 20 0 EGADLP CSC1(C[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000449525000 310069162 /nfs/dbraw/zinc/06/91/62/310069162.db2.gz QBVHMPPWLWEGPV-UHFFFAOYSA-N 2 2 347.528 3.095 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c[nH+]1 ZINC000449645324 310077218 /nfs/dbraw/zinc/07/72/18/310077218.db2.gz JQCRKFYQDDIRNO-SJORKVTESA-N 2 2 337.467 3.279 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)c[nH+]c12 ZINC000449648678 310077360 /nfs/dbraw/zinc/07/73/60/310077360.db2.gz UJNAWHHHZXBCHT-CVEARBPZSA-N 2 2 348.450 3.099 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000449819066 310089012 /nfs/dbraw/zinc/08/90/12/310089012.db2.gz HDQHUOBLRBMWBL-QGZVFWFLSA-N 2 2 337.552 3.124 20 0 EGADLP CN(C)c1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]c2ccccc21 ZINC000450342426 310116583 /nfs/dbraw/zinc/11/65/83/310116583.db2.gz AIINEEMCJPDEDP-INIZCTEOSA-N 2 2 339.487 3.151 20 0 EGADLP COc1cccc2c1cc[nH+]c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000450343662 310116721 /nfs/dbraw/zinc/11/67/21/310116721.db2.gz YXPOHKXTFDTTTI-HNNXBMFYSA-N 2 2 341.455 3.156 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450363273 310117935 /nfs/dbraw/zinc/11/79/35/310117935.db2.gz KAGVOLXOXYVROO-ROUUACIJSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450363273 310117936 /nfs/dbraw/zinc/11/79/36/310117936.db2.gz KAGVOLXOXYVROO-ROUUACIJSA-N 2 2 337.552 3.076 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379430 310119222 /nfs/dbraw/zinc/11/92/22/310119222.db2.gz NZLIJCMXTFJXEV-AWEZNQCLSA-N 2 2 341.381 3.041 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379430 310119223 /nfs/dbraw/zinc/11/92/23/310119223.db2.gz NZLIJCMXTFJXEV-AWEZNQCLSA-N 2 2 341.381 3.041 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466760 310124383 /nfs/dbraw/zinc/12/43/83/310124383.db2.gz JKUMRQWSNJDAHX-ZFWWWQNUSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466760 310124384 /nfs/dbraw/zinc/12/43/84/310124384.db2.gz JKUMRQWSNJDAHX-ZFWWWQNUSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466760 310124385 /nfs/dbraw/zinc/12/43/85/310124385.db2.gz JKUMRQWSNJDAHX-ZFWWWQNUSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466760 310124386 /nfs/dbraw/zinc/12/43/86/310124386.db2.gz JKUMRQWSNJDAHX-ZFWWWQNUSA-N 2 2 338.879 3.431 20 0 EGADLP Fc1cc2[nH+]ccc(NCC3([NH+]4CCOCC4)CC3)c2cc1Cl ZINC000450486259 310125649 /nfs/dbraw/zinc/12/56/49/310125649.db2.gz PPTSLRDXBQJVMU-UHFFFAOYSA-N 2 2 335.810 3.304 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000450696387 310137954 /nfs/dbraw/zinc/13/79/54/310137954.db2.gz GJSRSFQXHJDHEC-LJQANCHMSA-N 2 2 338.499 3.493 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000450696387 310137955 /nfs/dbraw/zinc/13/79/55/310137955.db2.gz GJSRSFQXHJDHEC-LJQANCHMSA-N 2 2 338.499 3.493 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833624 310144934 /nfs/dbraw/zinc/14/49/34/310144934.db2.gz KLZSVKBCBYHYLQ-NHCUHLMSSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833624 310144935 /nfs/dbraw/zinc/14/49/35/310144935.db2.gz KLZSVKBCBYHYLQ-NHCUHLMSSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833624 310144936 /nfs/dbraw/zinc/14/49/36/310144936.db2.gz KLZSVKBCBYHYLQ-NHCUHLMSSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833624 310144937 /nfs/dbraw/zinc/14/49/37/310144937.db2.gz KLZSVKBCBYHYLQ-NHCUHLMSSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)c1nc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc[nH+]1 ZINC000450950451 310151612 /nfs/dbraw/zinc/15/16/12/310151612.db2.gz MVEZGZGRSBWTNW-UHFFFAOYSA-N 2 2 330.398 3.453 20 0 EGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000452091516 310211735 /nfs/dbraw/zinc/21/17/35/310211735.db2.gz CBABKIBSLXWLAC-OAHLLOKOSA-N 2 2 344.421 3.073 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453074472 310256119 /nfs/dbraw/zinc/25/61/19/310256119.db2.gz GVMQGAXQWYJJAN-HBMCJLEFSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453074472 310256120 /nfs/dbraw/zinc/25/61/20/310256120.db2.gz GVMQGAXQWYJJAN-HBMCJLEFSA-N 3 2 327.516 3.113 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccsc1 ZINC000453095613 310257471 /nfs/dbraw/zinc/25/74/71/310257471.db2.gz WMMOPEZVIWFZBN-IBGZPJMESA-N 3 2 344.528 3.396 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000453097366 310257702 /nfs/dbraw/zinc/25/77/02/310257702.db2.gz XYJZNJHBAYRTRF-KRWDZBQOSA-N 3 2 344.528 3.314 20 0 EGADLP Cn1c[nH+]cc1CNc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000453151987 310260993 /nfs/dbraw/zinc/26/09/93/310260993.db2.gz VUNIYNGBPPKSMU-UHFFFAOYSA-N 2 2 334.851 3.159 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)sc1Br ZINC000453266156 310268083 /nfs/dbraw/zinc/26/80/83/310268083.db2.gz KPKJLLMDCIZPNC-IQJOONFLSA-N 2 2 332.311 3.032 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)sc1Br ZINC000453266156 310268084 /nfs/dbraw/zinc/26/80/84/310268084.db2.gz KPKJLLMDCIZPNC-IQJOONFLSA-N 2 2 332.311 3.032 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000453293376 310269410 /nfs/dbraw/zinc/26/94/10/310269410.db2.gz WMGOJYHMJLPLBV-VBNZEHGJSA-N 2 2 330.394 3.059 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C1 ZINC000453293376 310269411 /nfs/dbraw/zinc/26/94/11/310269411.db2.gz WMGOJYHMJLPLBV-VBNZEHGJSA-N 2 2 330.394 3.059 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454324995 310303705 /nfs/dbraw/zinc/30/37/05/310303705.db2.gz NCNOCWPFOQQCQH-BBWFWOEESA-N 2 2 349.523 3.021 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454324995 310303706 /nfs/dbraw/zinc/30/37/06/310303706.db2.gz NCNOCWPFOQQCQH-BBWFWOEESA-N 2 2 349.523 3.021 20 0 EGADLP Cc1cc(C)c(NC(=O)NCCCCNc2cccc[nH+]2)c(C)[nH+]1 ZINC000455460327 310361688 /nfs/dbraw/zinc/36/16/88/310361688.db2.gz ARUKSRXRYGMTGY-UHFFFAOYSA-N 2 2 327.432 3.416 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455470897 310362268 /nfs/dbraw/zinc/36/22/68/310362268.db2.gz AWCSVFWYKDCIGL-KRWDZBQOSA-N 2 2 332.492 3.496 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455470897 310362269 /nfs/dbraw/zinc/36/22/69/310362269.db2.gz AWCSVFWYKDCIGL-KRWDZBQOSA-N 2 2 332.492 3.496 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)[nH+]1 ZINC000455478033 310362733 /nfs/dbraw/zinc/36/27/33/310362733.db2.gz MVFLKVHLCNUMKM-UHFFFAOYSA-N 2 2 344.484 3.418 20 0 EGADLP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000459693859 310569346 /nfs/dbraw/zinc/56/93/46/310569346.db2.gz HYGPPFXDDVEBKN-OAHLLOKOSA-N 2 2 342.405 3.169 20 0 EGADLP C[C@H]1C[C@H](CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696978 311149587 /nfs/dbraw/zinc/14/95/87/311149587.db2.gz KLYGAIRGQMGVFU-LUYSREMJSA-N 2 2 335.580 3.407 20 0 EGADLP C[C@H]1C[C@H](CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696978 311149589 /nfs/dbraw/zinc/14/95/89/311149589.db2.gz KLYGAIRGQMGVFU-LUYSREMJSA-N 2 2 335.580 3.407 20 0 EGADLP CCCc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)n1 ZINC000494374645 311473600 /nfs/dbraw/zinc/47/36/00/311473600.db2.gz LZBDOUJHCKBHKO-UHFFFAOYSA-N 2 2 345.512 3.218 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494405912 311475363 /nfs/dbraw/zinc/47/53/63/311475363.db2.gz OPZDLPSFGDOPBI-KRWDZBQOSA-N 2 2 349.482 3.471 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000495059612 311534871 /nfs/dbraw/zinc/53/48/71/311534871.db2.gz NNGHKDMRKCVHQQ-INIZCTEOSA-N 2 2 348.450 3.425 20 0 EGADLP CCc1ccc(-c2ccc(C[N@H+](C)C3CC[NH+](CCO)CC3)o2)cc1 ZINC000513516342 312211933 /nfs/dbraw/zinc/21/19/33/312211933.db2.gz VESUFOFHLSFVOA-UHFFFAOYSA-N 2 2 342.483 3.398 20 0 EGADLP CCc1ccc(-c2ccc(C[N@@H+](C)C3CC[NH+](CCO)CC3)o2)cc1 ZINC000513516342 312211935 /nfs/dbraw/zinc/21/19/35/312211935.db2.gz VESUFOFHLSFVOA-UHFFFAOYSA-N 2 2 342.483 3.398 20 0 EGADLP CCCCCOc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513530588 312212773 /nfs/dbraw/zinc/21/27/73/312212773.db2.gz OEPBXESRBQNREX-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP CCCCCOc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000513530588 312212774 /nfs/dbraw/zinc/21/27/74/312212774.db2.gz OEPBXESRBQNREX-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]CCC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000514933763 312254743 /nfs/dbraw/zinc/25/47/43/312254743.db2.gz XQYTVXRGOMESEE-LJQANCHMSA-N 2 2 325.456 3.216 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000515364945 312278882 /nfs/dbraw/zinc/27/88/82/312278882.db2.gz ZLZMFJCBGPHCPY-ICSRJNTNSA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000515364945 312278884 /nfs/dbraw/zinc/27/88/84/312278884.db2.gz ZLZMFJCBGPHCPY-ICSRJNTNSA-N 2 2 334.479 3.380 20 0 EGADLP COc1cccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)OC)c1 ZINC000527740522 312929574 /nfs/dbraw/zinc/92/95/74/312929574.db2.gz TXBSJOWPPYATJV-HXUWFJFHSA-N 2 2 337.423 3.358 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000044686406 454114231 /nfs/dbraw/zinc/11/42/31/454114231.db2.gz FCCDBGPCMNBJOG-WCQYABFASA-N 2 2 339.277 3.345 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000044686406 454114234 /nfs/dbraw/zinc/11/42/34/454114234.db2.gz FCCDBGPCMNBJOG-WCQYABFASA-N 2 2 339.277 3.345 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)C[C@@H](C)O1 ZINC000529533935 313346687 /nfs/dbraw/zinc/34/66/87/313346687.db2.gz MWRZKJPHTDVUMJ-HZPDHXFCSA-N 2 2 343.446 3.120 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cnn1-c1ccc(F)cc1 ZINC000530225115 313500473 /nfs/dbraw/zinc/50/04/73/313500473.db2.gz WOLNJGVJIULLEU-ACJLOTCBSA-N 2 2 328.435 3.255 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534859539 314003014 /nfs/dbraw/zinc/00/30/14/314003014.db2.gz INCKCEDPYSBZKD-MRXNPFEDSA-N 2 2 338.455 3.294 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCSCC(F)(F)F ZINC000539048919 314292227 /nfs/dbraw/zinc/29/22/27/314292227.db2.gz GTVSQSWLQSTKAU-UKRRQHHQSA-N 2 2 332.435 3.392 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCSCC(F)(F)F ZINC000539048919 314292230 /nfs/dbraw/zinc/29/22/30/314292230.db2.gz GTVSQSWLQSTKAU-UKRRQHHQSA-N 2 2 332.435 3.392 20 0 EGADLP Clc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000547989675 314958135 /nfs/dbraw/zinc/95/81/35/314958135.db2.gz MNQYQPIZGGOVML-OAHLLOKOSA-N 2 2 327.819 3.031 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@@H](C)C[C@H]3C)c2cc1C ZINC000548487860 315015960 /nfs/dbraw/zinc/01/59/60/315015960.db2.gz POXPOAFFGYFNBR-BNEJOLLZSA-N 2 2 329.488 3.428 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635833 315029087 /nfs/dbraw/zinc/02/90/87/315029087.db2.gz IHGRQKHQVGEZCV-YOEHRIQHSA-N 2 2 341.459 3.079 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877457 315057607 /nfs/dbraw/zinc/05/76/07/315057607.db2.gz QIEXIBJISMGWIZ-QZTJIDSGSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877457 315057609 /nfs/dbraw/zinc/05/76/09/315057609.db2.gz QIEXIBJISMGWIZ-QZTJIDSGSA-N 2 2 337.423 3.231 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@H](CC4CC4)C3)CC2)cc1 ZINC000550037711 315114159 /nfs/dbraw/zinc/11/41/59/315114159.db2.gz WOFUGJGUNZLIDM-HXUWFJFHSA-N 2 2 327.516 3.321 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@H](CC4CC4)C3)CC2)cc1 ZINC000550037711 315114162 /nfs/dbraw/zinc/11/41/62/315114162.db2.gz WOFUGJGUNZLIDM-HXUWFJFHSA-N 2 2 327.516 3.321 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708234 315132615 /nfs/dbraw/zinc/13/26/15/315132615.db2.gz FYIBFUBPEVXYTA-QRVBRYPASA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708234 315132618 /nfs/dbraw/zinc/13/26/18/315132618.db2.gz FYIBFUBPEVXYTA-QRVBRYPASA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000550708234 315132620 /nfs/dbraw/zinc/13/26/20/315132620.db2.gz FYIBFUBPEVXYTA-QRVBRYPASA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000550708234 315132623 /nfs/dbraw/zinc/13/26/23/315132623.db2.gz FYIBFUBPEVXYTA-QRVBRYPASA-N 2 2 337.552 3.266 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCCC12CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000550895708 315137046 /nfs/dbraw/zinc/13/70/46/315137046.db2.gz SBPHZRNGRIJPCG-RTWAWAEBSA-N 2 2 342.527 3.498 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCCC12CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000550895708 315137050 /nfs/dbraw/zinc/13/70/50/315137050.db2.gz SBPHZRNGRIJPCG-RTWAWAEBSA-N 2 2 342.527 3.498 20 0 EGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3n2CCCC3)CC1 ZINC000551814481 315170786 /nfs/dbraw/zinc/17/07/86/315170786.db2.gz QJAJIIYLXWFGRM-LPHOPBHVSA-N 2 2 330.520 3.352 20 0 EGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2c[nH+]c3n2CCCC3)CC1 ZINC000551814481 315170787 /nfs/dbraw/zinc/17/07/87/315170787.db2.gz QJAJIIYLXWFGRM-LPHOPBHVSA-N 2 2 330.520 3.352 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000555524072 315387613 /nfs/dbraw/zinc/38/76/13/315387613.db2.gz CWFNRDFBITXXGS-SJORKVTESA-N 2 2 343.471 3.369 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000555524068 315387617 /nfs/dbraw/zinc/38/76/17/315387617.db2.gz CWFNRDFBITXXGS-DLBZAZTESA-N 2 2 343.471 3.369 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000560124933 315662151 /nfs/dbraw/zinc/66/21/51/315662151.db2.gz AGSWXEPDOCDHQI-YNVMFWSZSA-N 2 2 332.488 3.378 20 0 EGADLP Cc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563668513 316053548 /nfs/dbraw/zinc/05/35/48/316053548.db2.gz ADQRSLGXRCPQBN-IRXDYDNUSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000563668513 316053551 /nfs/dbraw/zinc/05/35/51/316053551.db2.gz ADQRSLGXRCPQBN-IRXDYDNUSA-N 2 2 326.444 3.009 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330349 316138274 /nfs/dbraw/zinc/13/82/74/316138274.db2.gz HFJQJNMZGLSHRX-QFBILLFUSA-N 2 2 348.450 3.497 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330349 316138279 /nfs/dbraw/zinc/13/82/79/316138279.db2.gz HFJQJNMZGLSHRX-QFBILLFUSA-N 2 2 348.450 3.497 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352930 316142243 /nfs/dbraw/zinc/14/22/43/316142243.db2.gz YODBJOZPDYTVDQ-RDJZCZTQSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352930 316142247 /nfs/dbraw/zinc/14/22/47/316142247.db2.gz YODBJOZPDYTVDQ-RDJZCZTQSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000564846359 316216481 /nfs/dbraw/zinc/21/64/81/316216481.db2.gz MCEZUQAGILJNCT-NHCUHLMSSA-N 2 2 326.484 3.181 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC([NH+]2CCCCC2)CC1 ZINC000565223042 316293757 /nfs/dbraw/zinc/29/37/57/316293757.db2.gz SGWJFRISAOELHR-UHFFFAOYSA-N 2 2 330.476 3.126 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCCC[C@@H]3C)c2cc1C ZINC000567770170 316673089 /nfs/dbraw/zinc/67/30/89/316673089.db2.gz ACTVRDCZSFTEFR-BMGDILEWSA-N 2 2 329.488 3.430 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000569686254 316948204 /nfs/dbraw/zinc/94/82/04/316948204.db2.gz HYMAAFALEJHZOX-HOTGVXAUSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000570497952 317064200 /nfs/dbraw/zinc/06/42/00/317064200.db2.gz KVWFPWNEPKAEKC-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000571194284 317164735 /nfs/dbraw/zinc/16/47/35/317164735.db2.gz WGRXFDNCXNBJLO-KURKYZTESA-N 2 2 341.842 3.180 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000572020324 317280611 /nfs/dbraw/zinc/28/06/11/317280611.db2.gz PMRKBBRSLHSDHZ-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000572020324 317280614 /nfs/dbraw/zinc/28/06/14/317280614.db2.gz PMRKBBRSLHSDHZ-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000572065355 317285633 /nfs/dbraw/zinc/28/56/33/317285633.db2.gz MAOOLOFQAVURJQ-OAQYLSRUSA-N 2 2 340.467 3.115 20 0 EGADLP C[NH+](Cc1cccc(O)c1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000572065355 317285638 /nfs/dbraw/zinc/28/56/38/317285638.db2.gz MAOOLOFQAVURJQ-OAQYLSRUSA-N 2 2 340.467 3.115 20 0 EGADLP C[NH+](Cc1cccc(O)c1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000572065355 317285641 /nfs/dbraw/zinc/28/56/41/317285641.db2.gz MAOOLOFQAVURJQ-OAQYLSRUSA-N 2 2 340.467 3.115 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000572522791 317351221 /nfs/dbraw/zinc/35/12/21/317351221.db2.gz LLFPQIMTRRSBTL-RRFJBIMHSA-N 2 2 333.480 3.016 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000572832895 317398381 /nfs/dbraw/zinc/39/83/81/317398381.db2.gz HWCXMJNDKIRRHM-IKGGRYGDSA-N 2 2 336.357 3.473 20 0 EGADLP Cc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000573747986 317524387 /nfs/dbraw/zinc/52/43/87/317524387.db2.gz URDDCVUKWFKHSZ-UHFFFAOYSA-N 2 2 339.483 3.331 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC000230006083 456132945 /nfs/dbraw/zinc/13/29/45/456132945.db2.gz BWWKFBDDUHGZMJ-UHFFFAOYSA-N 2 2 334.261 3.195 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC000230006083 456132954 /nfs/dbraw/zinc/13/29/54/456132954.db2.gz BWWKFBDDUHGZMJ-UHFFFAOYSA-N 2 2 334.261 3.195 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000276421134 456475382 /nfs/dbraw/zinc/47/53/82/456475382.db2.gz HJGCZLGJADBODY-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000276421134 456475389 /nfs/dbraw/zinc/47/53/89/456475389.db2.gz HJGCZLGJADBODY-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000350260718 324065015 /nfs/dbraw/zinc/06/50/15/324065015.db2.gz QSVSXVJUFLSWLR-ZDUSSCGKSA-N 2 2 325.416 3.010 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@H]2CC[N@@H+](C)C2)n1 ZINC000350260718 324065022 /nfs/dbraw/zinc/06/50/22/324065022.db2.gz QSVSXVJUFLSWLR-ZDUSSCGKSA-N 2 2 325.416 3.010 20 0 EGADLP C[C@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000379672589 324240565 /nfs/dbraw/zinc/24/05/65/324240565.db2.gz NREYSAKZNBCXSD-WMZOPIPTSA-N 2 2 334.467 3.460 20 0 EGADLP C[C@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000379672589 324240567 /nfs/dbraw/zinc/24/05/67/324240567.db2.gz NREYSAKZNBCXSD-WMZOPIPTSA-N 2 2 334.467 3.460 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324263995 /nfs/dbraw/zinc/26/39/95/324263995.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324263998 /nfs/dbraw/zinc/26/39/98/324263998.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324264000 /nfs/dbraw/zinc/26/40/00/324264000.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@H+]5CCCC[C@H]45)[C@@H]3C2)cc1 ZINC000385803311 324264003 /nfs/dbraw/zinc/26/40/03/324264003.db2.gz KKXWGCYTCJSPEN-MLBCHFTJSA-N 3 2 339.527 3.113 20 0 EGADLP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386903375 324270353 /nfs/dbraw/zinc/27/03/53/324270353.db2.gz ZDNKMKLJNUHCPF-AEFFLSMTSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386903375 324270356 /nfs/dbraw/zinc/27/03/56/324270356.db2.gz ZDNKMKLJNUHCPF-AEFFLSMTSA-N 2 2 334.467 3.318 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390959482 324285259 /nfs/dbraw/zinc/28/52/59/324285259.db2.gz LLNNLBGTTODQBJ-SFHVURJKSA-N 2 2 345.874 3.116 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390959482 324285263 /nfs/dbraw/zinc/28/52/63/324285263.db2.gz LLNNLBGTTODQBJ-SFHVURJKSA-N 2 2 345.874 3.116 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136117 324296385 /nfs/dbraw/zinc/29/63/85/324296385.db2.gz LAMICFOTHMPYEI-SJLPKXTDSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136117 324296388 /nfs/dbraw/zinc/29/63/88/324296388.db2.gz LAMICFOTHMPYEI-SJLPKXTDSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@H](c1ccccc1Br)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577960658 324895137 /nfs/dbraw/zinc/89/51/37/324895137.db2.gz QCFHRISHXCGGKO-GFCCVEGCSA-N 2 2 335.249 3.055 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(O[C@@H]2CCOC2)c1 ZINC000579225178 325080007 /nfs/dbraw/zinc/08/00/07/325080007.db2.gz SIHBRTSMZLKLAA-NSISKUIASA-N 2 2 338.451 3.397 20 0 EGADLP CC(C)n1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000579421545 325105226 /nfs/dbraw/zinc/10/52/26/325105226.db2.gz QOCIBXXRLZSXAR-UHFFFAOYSA-N 2 2 344.478 3.400 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cncc(Br)c1 ZINC000579615968 325136324 /nfs/dbraw/zinc/13/63/24/325136324.db2.gz YVVQZCBWOBSERY-GFCCVEGCSA-N 2 2 349.276 3.270 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c(C)c[nH+]1 ZINC000580168945 325212525 /nfs/dbraw/zinc/21/25/25/325212525.db2.gz CPCDYFBJEZYHNK-KRWDZBQOSA-N 2 2 326.444 3.065 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722156 325288827 /nfs/dbraw/zinc/28/88/27/325288827.db2.gz ALEFFURPHKXZBY-AEFFLSMTSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722156 325288829 /nfs/dbraw/zinc/28/88/29/325288829.db2.gz ALEFFURPHKXZBY-AEFFLSMTSA-N 2 2 328.456 3.442 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000581364310 325355413 /nfs/dbraw/zinc/35/54/13/325355413.db2.gz YINUOZNKOBVFPY-GJZGRUSLSA-N 2 2 337.345 3.257 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000581364311 325355417 /nfs/dbraw/zinc/35/54/17/325355417.db2.gz YINUOZNKOBVFPY-HUUCEWRRSA-N 2 2 337.345 3.257 20 0 EGADLP C[C@@H](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC000581492954 325365988 /nfs/dbraw/zinc/36/59/88/325365988.db2.gz YXCSNEPOUFHLON-HOTGVXAUSA-N 2 2 328.460 3.080 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352526717 457440124 /nfs/dbraw/zinc/44/01/24/457440124.db2.gz QYTMTSFCDRQRIM-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352526717 457440134 /nfs/dbraw/zinc/44/01/34/457440134.db2.gz QYTMTSFCDRQRIM-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000430578701 458464584 /nfs/dbraw/zinc/46/45/84/458464584.db2.gz BERIUGVEBGXYNN-LLVKDONJSA-N 2 2 346.302 3.087 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000430578701 458464587 /nfs/dbraw/zinc/46/45/87/458464587.db2.gz BERIUGVEBGXYNN-LLVKDONJSA-N 2 2 346.302 3.087 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000430575949 458465239 /nfs/dbraw/zinc/46/52/39/458465239.db2.gz LWHXCOCPBMRTGA-MEDUHNTESA-N 2 2 346.302 3.134 20 0 EGADLP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1OC(F)F ZINC000183159701 455241024 /nfs/dbraw/zinc/24/10/24/455241024.db2.gz VRKLUAOGVQUUIX-UHFFFAOYSA-N 2 2 339.386 3.405 20 0 EGADLP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1OC(F)F ZINC000183159701 455241028 /nfs/dbraw/zinc/24/10/28/455241028.db2.gz VRKLUAOGVQUUIX-UHFFFAOYSA-N 2 2 339.386 3.405 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008554 459177834 /nfs/dbraw/zinc/17/78/34/459177834.db2.gz AVDNXNJYUNKVNR-DZGCQCFKSA-N 2 2 328.859 3.487 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268874 455265364 /nfs/dbraw/zinc/26/53/64/455265364.db2.gz ABDZFGZTFPQPTM-UYAOXDASSA-N 2 2 338.499 3.025 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268874 455265370 /nfs/dbraw/zinc/26/53/70/455265370.db2.gz ABDZFGZTFPQPTM-UYAOXDASSA-N 2 2 338.499 3.025 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000245679344 455353772 /nfs/dbraw/zinc/35/37/72/455353772.db2.gz OWTFSYKTVVYMNX-HHXXYDBFSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000245679344 455353774 /nfs/dbraw/zinc/35/37/74/455353774.db2.gz OWTFSYKTVVYMNX-HHXXYDBFSA-N 2 2 340.471 3.410 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571429 453889644 /nfs/dbraw/zinc/88/96/44/453889644.db2.gz DMHXBIAJOSSFQV-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571429 453889647 /nfs/dbraw/zinc/88/96/47/453889647.db2.gz DMHXBIAJOSSFQV-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571429 453889649 /nfs/dbraw/zinc/88/96/49/453889649.db2.gz DMHXBIAJOSSFQV-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000081571429 453889653 /nfs/dbraw/zinc/88/96/53/453889653.db2.gz DMHXBIAJOSSFQV-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075859969 453932110 /nfs/dbraw/zinc/93/21/10/453932110.db2.gz HZFDNAOQTKYYTB-LJQANCHMSA-N 2 2 326.488 3.238 20 0 EGADLP CN(CC[C@H]1CCCC[N@H+]1C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000075859969 453932113 /nfs/dbraw/zinc/93/21/13/453932113.db2.gz HZFDNAOQTKYYTB-LJQANCHMSA-N 2 2 326.488 3.238 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860720 453932402 /nfs/dbraw/zinc/93/24/02/453932402.db2.gz RLLFWESXGFSZDI-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860720 453932406 /nfs/dbraw/zinc/93/24/06/453932406.db2.gz RLLFWESXGFSZDI-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860720 453932408 /nfs/dbraw/zinc/93/24/08/453932408.db2.gz RLLFWESXGFSZDI-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860720 453932412 /nfs/dbraw/zinc/93/24/12/453932412.db2.gz RLLFWESXGFSZDI-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000067505445 453936534 /nfs/dbraw/zinc/93/65/34/453936534.db2.gz ABAOIWMOTLRJBT-HNNXBMFYSA-N 2 2 332.488 3.373 20 0 EGADLP CCOC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000083243991 453945530 /nfs/dbraw/zinc/94/55/30/453945530.db2.gz QENCOTACPUOUMP-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000083243991 453945534 /nfs/dbraw/zinc/94/55/34/453945534.db2.gz QENCOTACPUOUMP-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076001637 453947558 /nfs/dbraw/zinc/94/75/58/453947558.db2.gz FBFJAFOCCWHSGS-IAGOWNOFSA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076001637 453947559 /nfs/dbraw/zinc/94/75/59/453947559.db2.gz FBFJAFOCCWHSGS-IAGOWNOFSA-N 2 2 331.504 3.240 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076001950 453948020 /nfs/dbraw/zinc/94/80/20/453948020.db2.gz USUOIWJSEZLUGQ-ICSRJNTNSA-N 2 2 345.531 3.087 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076001950 453948024 /nfs/dbraw/zinc/94/80/24/453948024.db2.gz USUOIWJSEZLUGQ-ICSRJNTNSA-N 2 2 345.531 3.087 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068421105 454025207 /nfs/dbraw/zinc/02/52/07/454025207.db2.gz NBPILXCQZQTQIF-IBGZPJMESA-N 2 2 340.471 3.083 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068421105 454025210 /nfs/dbraw/zinc/02/52/10/454025210.db2.gz NBPILXCQZQTQIF-IBGZPJMESA-N 2 2 340.471 3.083 20 0 EGADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000068551551 454036429 /nfs/dbraw/zinc/03/64/29/454036429.db2.gz NQYUCEOBPMCDAN-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000068551551 454036433 /nfs/dbraw/zinc/03/64/33/454036433.db2.gz NQYUCEOBPMCDAN-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP CCc1cc(NCCc2cn3c([nH+]2)CCCC3)nc(-c2ccncc2)[nH+]1 ZINC000068663110 454042811 /nfs/dbraw/zinc/04/28/11/454042811.db2.gz BEOAFLAUWIWBBB-UHFFFAOYSA-N 2 2 348.454 3.288 20 0 EGADLP CC[NH+](CC)[C@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccsc1 ZINC000077189568 454073003 /nfs/dbraw/zinc/07/30/03/454073003.db2.gz ZHDGDLTZUXJGMR-OAHLLOKOSA-N 2 2 342.472 3.219 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000069833339 454151373 /nfs/dbraw/zinc/15/13/73/454151373.db2.gz SALZDIWAFLDLCM-IRXDYDNUSA-N 2 2 328.456 3.487 20 0 EGADLP O[C@@H]1C[C@H](CNc2cc[nH+]c3ccsc32)[N@H+](Cc2ccccc2)C1 ZINC000089644545 454172894 /nfs/dbraw/zinc/17/28/94/454172894.db2.gz XLTSYDWEVSHNMJ-HZPDHXFCSA-N 2 2 339.464 3.344 20 0 EGADLP O[C@@H]1C[C@H](CNc2cc[nH+]c3ccsc32)[N@@H+](Cc2ccccc2)C1 ZINC000089644545 454172898 /nfs/dbraw/zinc/17/28/98/454172898.db2.gz XLTSYDWEVSHNMJ-HZPDHXFCSA-N 2 2 339.464 3.344 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000119892228 454233135 /nfs/dbraw/zinc/23/31/35/454233135.db2.gz YSRYKGKQUBQUPJ-ZNMIVQPWSA-N 2 2 340.895 3.499 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000119892228 454233139 /nfs/dbraw/zinc/23/31/39/454233139.db2.gz YSRYKGKQUBQUPJ-ZNMIVQPWSA-N 2 2 340.895 3.499 20 0 EGADLP C[C@@H](CCSc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926742 454237144 /nfs/dbraw/zinc/23/71/44/454237144.db2.gz HONKAFANTJJDIN-INIZCTEOSA-N 2 2 330.501 3.113 20 0 EGADLP c1cn(-c2ccc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cc2)c[nH+]1 ZINC000089952426 454246409 /nfs/dbraw/zinc/24/64/09/454246409.db2.gz XHIVBWQPFWWDTD-MOPGFXCFSA-N 2 2 343.496 3.359 20 0 EGADLP c1cn(-c2ccc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cc2)c[nH+]1 ZINC000089952426 454246411 /nfs/dbraw/zinc/24/64/11/454246411.db2.gz XHIVBWQPFWWDTD-MOPGFXCFSA-N 2 2 343.496 3.359 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000090003518 454259994 /nfs/dbraw/zinc/25/99/94/454259994.db2.gz ISLSHYNWESKOIA-CQSZACIVSA-N 2 2 343.862 3.176 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000090003518 454259998 /nfs/dbraw/zinc/25/99/98/454259998.db2.gz ISLSHYNWESKOIA-CQSZACIVSA-N 2 2 343.862 3.176 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000090047468 454267126 /nfs/dbraw/zinc/26/71/26/454267126.db2.gz WQEJBARWDKIPGH-KBPBESRZSA-N 2 2 328.403 3.049 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000131619345 454270178 /nfs/dbraw/zinc/27/01/78/454270178.db2.gz FXRQUEYVILMXER-AWEZNQCLSA-N 2 2 332.879 3.389 20 0 EGADLP Cc1cccc(C[NH+]2CCN(Cc3cn4cccc(C)c4[nH+]3)CC2)c1 ZINC000060471340 454294202 /nfs/dbraw/zinc/29/42/02/454294202.db2.gz ZPUQNKZTPHDMII-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[NH+]2CCCC2)cc1 ZINC000120943037 454367282 /nfs/dbraw/zinc/36/72/82/454367282.db2.gz JZMFCMVGPAJBOD-HAGHYFMRSA-N 2 2 326.484 3.371 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1OCc1cccnc1)Cn1cc[nH+]c1 ZINC000062254378 454372771 /nfs/dbraw/zinc/37/27/71/454372771.db2.gz LSJHDKSSYIJBLG-KRWDZBQOSA-N 2 2 336.439 3.283 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097016595 454387467 /nfs/dbraw/zinc/38/74/67/454387467.db2.gz HXLRWFZQCRJDBI-KUHUBIRLSA-N 2 2 325.387 3.396 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634972867 460635800 /nfs/dbraw/zinc/63/58/00/460635800.db2.gz JZDKXWQBLWMABX-INIZCTEOSA-N 2 2 347.466 3.340 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000121415458 454431518 /nfs/dbraw/zinc/43/15/18/454431518.db2.gz JKTOHBXWJUPJHP-IBGZPJMESA-N 2 2 332.488 3.020 20 0 EGADLP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000121415458 454431521 /nfs/dbraw/zinc/43/15/21/454431521.db2.gz JKTOHBXWJUPJHP-IBGZPJMESA-N 2 2 332.488 3.020 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000097376334 454434223 /nfs/dbraw/zinc/43/42/23/454434223.db2.gz MEZWMNWDJYIFIK-DNVCBOLYSA-N 3 2 344.528 3.382 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000097376334 454434229 /nfs/dbraw/zinc/43/42/29/454434229.db2.gz MEZWMNWDJYIFIK-DNVCBOLYSA-N 3 2 344.528 3.382 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000121633454 454460651 /nfs/dbraw/zinc/46/06/51/454460651.db2.gz JEEJZAXJDDALQH-UHFFFAOYSA-N 2 2 344.484 3.485 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)c3cccc(C[NH+]4CCCC4)c3)cn2c1 ZINC000064027909 454464043 /nfs/dbraw/zinc/46/40/43/454464043.db2.gz SHVGIDDBMKBVJX-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043163 454508597 /nfs/dbraw/zinc/50/85/97/454508597.db2.gz AIMUJOCONDXHCF-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043163 454508600 /nfs/dbraw/zinc/50/86/00/454508600.db2.gz AIMUJOCONDXHCF-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043163 454508606 /nfs/dbraw/zinc/50/86/06/454508606.db2.gz AIMUJOCONDXHCF-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043163 454508609 /nfs/dbraw/zinc/50/86/09/454508609.db2.gz AIMUJOCONDXHCF-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP Cc1c[nH+]cc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000092414519 454563867 /nfs/dbraw/zinc/56/38/67/454563867.db2.gz UQYLLLWKZJQWKU-UHFFFAOYSA-N 2 2 330.863 3.407 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872911 454600402 /nfs/dbraw/zinc/60/04/02/454600402.db2.gz LLXUQMJWSVETSL-RDTXWAMCSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872911 454600409 /nfs/dbraw/zinc/60/04/09/454600409.db2.gz LLXUQMJWSVETSL-RDTXWAMCSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872911 454600414 /nfs/dbraw/zinc/60/04/14/454600414.db2.gz LLXUQMJWSVETSL-RDTXWAMCSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872911 454600419 /nfs/dbraw/zinc/60/04/19/454600419.db2.gz LLXUQMJWSVETSL-RDTXWAMCSA-N 2 2 347.890 3.227 20 0 EGADLP CCS[C@H](C)c1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123233642 454618643 /nfs/dbraw/zinc/61/86/43/454618643.db2.gz NFLADQCRKMKMLK-CQSZACIVSA-N 2 2 340.537 3.438 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958803 454657902 /nfs/dbraw/zinc/65/79/02/454657902.db2.gz NCEKAEGYVWMFLA-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958803 454657906 /nfs/dbraw/zinc/65/79/06/454657906.db2.gz NCEKAEGYVWMFLA-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080984884 454665716 /nfs/dbraw/zinc/66/57/16/454665716.db2.gz XOPAPDXODJCHLE-WMZOPIPTSA-N 2 2 338.455 3.093 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000080984884 454665723 /nfs/dbraw/zinc/66/57/23/454665723.db2.gz XOPAPDXODJCHLE-WMZOPIPTSA-N 2 2 338.455 3.093 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000074991389 454671464 /nfs/dbraw/zinc/67/14/64/454671464.db2.gz GISQXMQZGWRROW-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)n1 ZINC000074991389 454671470 /nfs/dbraw/zinc/67/14/70/454671470.db2.gz GISQXMQZGWRROW-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000074991389 454671477 /nfs/dbraw/zinc/67/14/77/454671477.db2.gz GISQXMQZGWRROW-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000074991389 454671481 /nfs/dbraw/zinc/67/14/81/454671481.db2.gz GISQXMQZGWRROW-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP O=C1Nc2ccccc2C12CCC([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC000124004527 454693646 /nfs/dbraw/zinc/69/36/46/454693646.db2.gz DNBOKOMHPZMKKY-UHFFFAOYSA-N 2 2 341.499 3.285 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106530503 454699780 /nfs/dbraw/zinc/69/97/80/454699780.db2.gz DDRONCVTJQUADX-BRWVUGGUSA-N 2 2 347.507 3.014 20 0 EGADLP CN(C)c1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336909 454703670 /nfs/dbraw/zinc/70/36/70/454703670.db2.gz BBSUJIBUHIVXBE-QGZVFWFLSA-N 2 2 344.528 3.163 20 0 EGADLP CN(C)c1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336909 454703672 /nfs/dbraw/zinc/70/36/72/454703672.db2.gz BBSUJIBUHIVXBE-QGZVFWFLSA-N 2 2 344.528 3.163 20 0 EGADLP CN(C)c1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000093336909 454703675 /nfs/dbraw/zinc/70/36/75/454703675.db2.gz BBSUJIBUHIVXBE-QGZVFWFLSA-N 2 2 344.528 3.163 20 0 EGADLP CN(C)c1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000093336909 454703680 /nfs/dbraw/zinc/70/36/80/454703680.db2.gz BBSUJIBUHIVXBE-QGZVFWFLSA-N 2 2 344.528 3.163 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742091 454731622 /nfs/dbraw/zinc/73/16/22/454731622.db2.gz SZEQCOLYNCPXMB-INIZCTEOSA-N 2 2 327.472 3.407 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742091 454731624 /nfs/dbraw/zinc/73/16/24/454731624.db2.gz SZEQCOLYNCPXMB-INIZCTEOSA-N 2 2 327.472 3.407 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742091 454731628 /nfs/dbraw/zinc/73/16/28/454731628.db2.gz SZEQCOLYNCPXMB-INIZCTEOSA-N 2 2 327.472 3.407 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742091 454731631 /nfs/dbraw/zinc/73/16/31/454731631.db2.gz SZEQCOLYNCPXMB-INIZCTEOSA-N 2 2 327.472 3.407 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000136383389 454739482 /nfs/dbraw/zinc/73/94/82/454739482.db2.gz MRKDEVBWFQJRCN-OAHLLOKOSA-N 2 2 348.441 3.239 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866076 454740909 /nfs/dbraw/zinc/74/09/09/454740909.db2.gz WUXCMRBOZHRGOX-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866076 454740912 /nfs/dbraw/zinc/74/09/12/454740912.db2.gz WUXCMRBOZHRGOX-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865761 454742245 /nfs/dbraw/zinc/74/22/45/454742245.db2.gz HORDABBMYNDKQP-FQEVSTJZSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865761 454742250 /nfs/dbraw/zinc/74/22/50/454742250.db2.gz HORDABBMYNDKQP-FQEVSTJZSA-N 2 2 334.423 3.229 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cncs1 ZINC000124668357 454758640 /nfs/dbraw/zinc/75/86/40/454758640.db2.gz CJRUSMPXLHXFMV-INIZCTEOSA-N 2 2 330.501 3.006 20 0 EGADLP CCOc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000124680446 454760049 /nfs/dbraw/zinc/76/00/49/454760049.db2.gz FETBOAPRTXGJLY-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000124680446 454760052 /nfs/dbraw/zinc/76/00/52/454760052.db2.gz FETBOAPRTXGJLY-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000124680446 454760059 /nfs/dbraw/zinc/76/00/59/454760059.db2.gz FETBOAPRTXGJLY-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000124680446 454760062 /nfs/dbraw/zinc/76/00/62/454760062.db2.gz FETBOAPRTXGJLY-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000162247788 454762527 /nfs/dbraw/zinc/76/25/27/454762527.db2.gz WMUUJCDBYSALDQ-SHACYNPGSA-N 2 2 341.480 3.433 20 0 EGADLP CC[C@H](C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000125130628 454799547 /nfs/dbraw/zinc/79/95/47/454799547.db2.gz WJMJNXZRNLRTCU-QGZVFWFLSA-N 2 2 346.500 3.054 20 0 EGADLP CC[C@H](C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1)[NH+](C)C ZINC000125130628 454799552 /nfs/dbraw/zinc/79/95/52/454799552.db2.gz WJMJNXZRNLRTCU-QGZVFWFLSA-N 2 2 346.500 3.054 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1N1CCCC1 ZINC000176992189 454808714 /nfs/dbraw/zinc/80/87/14/454808714.db2.gz CAMPAGMISCMOAK-UHFFFAOYSA-N 2 2 347.466 3.500 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccccc1N1CCCC1 ZINC000176992189 454808715 /nfs/dbraw/zinc/80/87/15/454808715.db2.gz CAMPAGMISCMOAK-UHFFFAOYSA-N 2 2 347.466 3.500 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000153720878 454825864 /nfs/dbraw/zinc/82/58/64/454825864.db2.gz LOKXGACCMZIPIA-STQMWFEESA-N 2 2 345.830 3.350 20 0 EGADLP Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000266929011 455477650 /nfs/dbraw/zinc/47/76/50/455477650.db2.gz NZQOVRGIGGNGQN-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000266929011 455477657 /nfs/dbraw/zinc/47/76/57/455477657.db2.gz NZQOVRGIGGNGQN-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP Cc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1C ZINC000177245593 454842594 /nfs/dbraw/zinc/84/25/94/454842594.db2.gz FSAHZNVQWFTHKD-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000163446217 454848457 /nfs/dbraw/zinc/84/84/57/454848457.db2.gz XPNRRIVEOQBXGK-INIZCTEOSA-N 2 2 336.476 3.032 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000163446217 454848460 /nfs/dbraw/zinc/84/84/60/454848460.db2.gz XPNRRIVEOQBXGK-INIZCTEOSA-N 2 2 336.476 3.032 20 0 EGADLP CCc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000177355251 454855122 /nfs/dbraw/zinc/85/51/22/454855122.db2.gz NELMTBCABNQHCX-UHFFFAOYSA-N 2 2 347.466 3.152 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165990973 454906744 /nfs/dbraw/zinc/90/67/44/454906744.db2.gz QFMSBJWOWYSDJT-RMVXJAJNSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)c1ccccc1 ZINC000165990973 454906748 /nfs/dbraw/zinc/90/67/48/454906748.db2.gz QFMSBJWOWYSDJT-RMVXJAJNSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000165990973 454906751 /nfs/dbraw/zinc/90/67/51/454906751.db2.gz QFMSBJWOWYSDJT-RMVXJAJNSA-N 3 2 347.547 3.014 20 0 EGADLP COc1cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)ccc1SC ZINC000166310001 454910868 /nfs/dbraw/zinc/91/08/68/454910868.db2.gz RWZLZVRYHKKVFS-UHFFFAOYSA-N 2 2 343.496 3.443 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000151114933 454939777 /nfs/dbraw/zinc/93/97/77/454939777.db2.gz HXPXGAIEZRQRFB-ZDUSSCGKSA-N 2 2 341.381 3.035 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(C)c2C(F)(F)F)C1 ZINC000151114933 454939782 /nfs/dbraw/zinc/93/97/82/454939782.db2.gz HXPXGAIEZRQRFB-ZDUSSCGKSA-N 2 2 341.381 3.035 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000178309239 454947827 /nfs/dbraw/zinc/94/78/27/454947827.db2.gz WVDNZFCLMOIODI-OAHLLOKOSA-N 2 2 339.277 3.348 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480185 454957157 /nfs/dbraw/zinc/95/71/57/454957157.db2.gz JDGRVHPHZXVURK-GVDBMIGSSA-N 2 2 331.504 3.411 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480185 454957159 /nfs/dbraw/zinc/95/71/59/454957159.db2.gz JDGRVHPHZXVURK-GVDBMIGSSA-N 2 2 331.504 3.411 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1OC(F)F ZINC000178522051 454959741 /nfs/dbraw/zinc/95/97/41/454959741.db2.gz GGGUXUDXJBFZCS-INIZCTEOSA-N 2 2 342.430 3.176 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338217 454971105 /nfs/dbraw/zinc/97/11/05/454971105.db2.gz IKULOVGYEJBOER-HNNXBMFYSA-N 2 2 345.409 3.186 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338217 454971107 /nfs/dbraw/zinc/97/11/07/454971107.db2.gz IKULOVGYEJBOER-HNNXBMFYSA-N 2 2 345.409 3.186 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338217 454971111 /nfs/dbraw/zinc/97/11/11/454971111.db2.gz IKULOVGYEJBOER-HNNXBMFYSA-N 2 2 345.409 3.186 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338217 454971114 /nfs/dbraw/zinc/97/11/14/454971114.db2.gz IKULOVGYEJBOER-HNNXBMFYSA-N 2 2 345.409 3.186 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000155273012 454981820 /nfs/dbraw/zinc/98/18/20/454981820.db2.gz NOSGTDHXHSAJJI-RTBURBONSA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000155273012 454981825 /nfs/dbraw/zinc/98/18/25/454981825.db2.gz NOSGTDHXHSAJJI-RTBURBONSA-N 2 2 331.504 3.060 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C12CCCC2 ZINC000151836365 455037217 /nfs/dbraw/zinc/03/72/17/455037217.db2.gz AGKUMKWRPOFEQR-ZWKOTPCHSA-N 2 2 329.488 3.378 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000179397233 455044820 /nfs/dbraw/zinc/04/48/20/455044820.db2.gz IOHGHPWLNQAUHA-SFHVURJKSA-N 2 2 330.472 3.074 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000179397233 455044823 /nfs/dbraw/zinc/04/48/23/455044823.db2.gz IOHGHPWLNQAUHA-SFHVURJKSA-N 2 2 330.472 3.074 20 0 EGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(F)ccc1F ZINC000116396250 455054892 /nfs/dbraw/zinc/05/48/92/455054892.db2.gz WDBWUOMSKGRLQE-LRDDRELGSA-N 2 2 341.446 3.248 20 0 EGADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116397343 455055240 /nfs/dbraw/zinc/05/52/40/455055240.db2.gz DFEJMKUTGISONK-RDTXWAMCSA-N 2 2 347.503 3.172 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000152048364 455065816 /nfs/dbraw/zinc/06/58/16/455065816.db2.gz FBKFMNDMAWWWCO-HKUYNNGSSA-N 2 2 333.520 3.213 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000152048364 455065820 /nfs/dbraw/zinc/06/58/20/455065820.db2.gz FBKFMNDMAWWWCO-HKUYNNGSSA-N 2 2 333.520 3.213 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@@H]1CCOC1 ZINC000179782036 455078713 /nfs/dbraw/zinc/07/87/13/455078713.db2.gz OGBUONMNIBYZPG-HUUCEWRRSA-N 2 2 335.467 3.193 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156146164 455087069 /nfs/dbraw/zinc/08/70/69/455087069.db2.gz JAIVSUIDZGMEFO-YPMHNXCESA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156146164 455087071 /nfs/dbraw/zinc/08/70/71/455087071.db2.gz JAIVSUIDZGMEFO-YPMHNXCESA-N 2 2 327.266 3.030 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156162296 455088560 /nfs/dbraw/zinc/08/85/60/455088560.db2.gz IDVZUKNSQDLOCJ-HCXYKTFWSA-N 2 2 335.536 3.115 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156162296 455088558 /nfs/dbraw/zinc/08/85/58/455088558.db2.gz IDVZUKNSQDLOCJ-HCXYKTFWSA-N 2 2 335.536 3.115 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000152244856 455091560 /nfs/dbraw/zinc/09/15/60/455091560.db2.gz BONCZHDMQQHNDL-HNNXBMFYSA-N 2 2 335.407 3.494 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000179884785 455094391 /nfs/dbraw/zinc/09/43/91/455094391.db2.gz KRJOWQNHRREDCS-ZWKOTPCHSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc3nccn32)C1 ZINC000179884785 455094393 /nfs/dbraw/zinc/09/43/93/455094393.db2.gz KRJOWQNHRREDCS-ZWKOTPCHSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000179884785 455094395 /nfs/dbraw/zinc/09/43/95/455094395.db2.gz KRJOWQNHRREDCS-ZWKOTPCHSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000179884785 455094396 /nfs/dbraw/zinc/09/43/96/455094396.db2.gz KRJOWQNHRREDCS-ZWKOTPCHSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000179884785 455094398 /nfs/dbraw/zinc/09/43/98/455094398.db2.gz KRJOWQNHRREDCS-ZWKOTPCHSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccc3[nH+]ccn32)C1 ZINC000179884785 455094400 /nfs/dbraw/zinc/09/44/00/455094400.db2.gz KRJOWQNHRREDCS-ZWKOTPCHSA-N 2 2 326.488 3.421 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156457001 455120180 /nfs/dbraw/zinc/12/01/80/455120180.db2.gz ZYJRAYIEXXWGKI-WMLDXEAASA-N 2 2 341.434 3.475 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156457001 455120183 /nfs/dbraw/zinc/12/01/83/455120183.db2.gz ZYJRAYIEXXWGKI-WMLDXEAASA-N 2 2 341.434 3.475 20 0 EGADLP Fc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000156706330 455145523 /nfs/dbraw/zinc/14/55/23/455145523.db2.gz XGNFCFDJQXPZOV-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Fc1cccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000156706330 455145525 /nfs/dbraw/zinc/14/55/25/455145525.db2.gz XGNFCFDJQXPZOV-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3ccccc3)n2)C1 ZINC000237677122 455206436 /nfs/dbraw/zinc/20/64/36/455206436.db2.gz YPTCPWKMPAMJRQ-BBRMVZONSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3ccccc3)n2)C1 ZINC000237677122 455206439 /nfs/dbraw/zinc/20/64/39/455206439.db2.gz YPTCPWKMPAMJRQ-BBRMVZONSA-N 2 2 344.484 3.014 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2[nH+]c1C(C)(C)C ZINC000237727989 455213012 /nfs/dbraw/zinc/21/30/12/455213012.db2.gz ZBQKFTMZKFEZLS-IBGZPJMESA-N 2 2 328.460 3.199 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347358 455281100 /nfs/dbraw/zinc/28/11/00/455281100.db2.gz MPYCEWBULTUGEG-MGPUTAFESA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347358 455281106 /nfs/dbraw/zinc/28/11/06/455281106.db2.gz MPYCEWBULTUGEG-MGPUTAFESA-N 2 2 325.431 3.384 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423052 455294124 /nfs/dbraw/zinc/29/41/24/455294124.db2.gz JFPGYIICFHZJIN-ZACQAIPSSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423052 455294126 /nfs/dbraw/zinc/29/41/26/455294126.db2.gz JFPGYIICFHZJIN-ZACQAIPSSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423052 455294128 /nfs/dbraw/zinc/29/41/28/455294128.db2.gz JFPGYIICFHZJIN-ZACQAIPSSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000245423052 455294130 /nfs/dbraw/zinc/29/41/30/455294130.db2.gz JFPGYIICFHZJIN-ZACQAIPSSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441739 455300275 /nfs/dbraw/zinc/30/02/75/455300275.db2.gz VRNLYOUQQQYZFG-RXVVDRJESA-N 2 2 345.531 3.164 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441739 455300276 /nfs/dbraw/zinc/30/02/76/455300276.db2.gz VRNLYOUQQQYZFG-RXVVDRJESA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441739 455300277 /nfs/dbraw/zinc/30/02/77/455300277.db2.gz VRNLYOUQQQYZFG-RXVVDRJESA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000245441739 455300278 /nfs/dbraw/zinc/30/02/78/455300278.db2.gz VRNLYOUQQQYZFG-RXVVDRJESA-N 2 2 345.531 3.164 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)co2)cc1 ZINC000158515051 455309712 /nfs/dbraw/zinc/30/97/12/455309712.db2.gz TVENBHUXDIBBJV-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)co2)cc1 ZINC000158515051 455309715 /nfs/dbraw/zinc/30/97/15/455309715.db2.gz TVENBHUXDIBBJV-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)co2)cc1 ZINC000158515051 455309718 /nfs/dbraw/zinc/30/97/18/455309718.db2.gz TVENBHUXDIBBJV-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)co2)cc1 ZINC000158515051 455309720 /nfs/dbraw/zinc/30/97/20/455309720.db2.gz TVENBHUXDIBBJV-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158895450 455335682 /nfs/dbraw/zinc/33/56/82/455335682.db2.gz RUCJUQJLXXIQFS-IRXDYDNUSA-N 2 2 330.472 3.485 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245872468 455389336 /nfs/dbraw/zinc/38/93/36/455389336.db2.gz RYTGPVBQFBDUEE-GDBMZVCRSA-N 2 2 341.484 3.428 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245872468 455389339 /nfs/dbraw/zinc/38/93/39/455389339.db2.gz RYTGPVBQFBDUEE-GDBMZVCRSA-N 2 2 341.484 3.428 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000190941583 455410410 /nfs/dbraw/zinc/41/04/10/455410410.db2.gz XWILETVJRLXYSB-HKUYNNGSSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000190941583 455410413 /nfs/dbraw/zinc/41/04/13/455410413.db2.gz XWILETVJRLXYSB-HKUYNNGSSA-N 2 2 336.520 3.053 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246261233 455459747 /nfs/dbraw/zinc/45/97/47/455459747.db2.gz YRUFLEIHTJOMSG-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246261233 455459750 /nfs/dbraw/zinc/45/97/50/455459750.db2.gz YRUFLEIHTJOMSG-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246298214 455466664 /nfs/dbraw/zinc/46/66/64/455466664.db2.gz CWHSHWWLNKMSNS-UYAOXDASSA-N 2 2 345.531 3.479 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000246298214 455466668 /nfs/dbraw/zinc/46/66/68/455466668.db2.gz CWHSHWWLNKMSNS-UYAOXDASSA-N 2 2 345.531 3.479 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](O)Cc1ccccc1 ZINC000246335394 455473391 /nfs/dbraw/zinc/47/33/91/455473391.db2.gz GLWISBGDMKYHLL-UBBRYJJRSA-N 2 2 338.495 3.089 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](O)Cc1ccccc1 ZINC000246335394 455473395 /nfs/dbraw/zinc/47/33/95/455473395.db2.gz GLWISBGDMKYHLL-UBBRYJJRSA-N 2 2 338.495 3.089 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000246862885 455531334 /nfs/dbraw/zinc/53/13/34/455531334.db2.gz JAGFZTFGSGIZIY-UAFMIMERSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000246862885 455531336 /nfs/dbraw/zinc/53/13/36/455531336.db2.gz JAGFZTFGSGIZIY-UAFMIMERSA-N 2 2 328.500 3.444 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000182635006 455557428 /nfs/dbraw/zinc/55/74/28/455557428.db2.gz CWZNCCOAZWVNSB-OTWHNJEPSA-N 2 2 329.488 3.054 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000247124497 455562630 /nfs/dbraw/zinc/56/26/30/455562630.db2.gz PYBMMICBIRLVPR-JUSBFGHESA-N 2 2 328.500 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000247124497 455562632 /nfs/dbraw/zinc/56/26/32/455562632.db2.gz PYBMMICBIRLVPR-JUSBFGHESA-N 2 2 328.500 3.443 20 0 EGADLP COCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000247190798 455571101 /nfs/dbraw/zinc/57/11/01/455571101.db2.gz UKNNEVFVPUZMBM-UYAOXDASSA-N 2 2 345.531 3.479 20 0 EGADLP COCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000247190798 455571105 /nfs/dbraw/zinc/57/11/05/455571105.db2.gz UKNNEVFVPUZMBM-UYAOXDASSA-N 2 2 345.531 3.479 20 0 EGADLP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247234734 455576180 /nfs/dbraw/zinc/57/61/80/455576180.db2.gz YOBMKWKQTSMAEV-QCFAMHMHSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247234734 455576183 /nfs/dbraw/zinc/57/61/83/455576183.db2.gz YOBMKWKQTSMAEV-QCFAMHMHSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247240167 455576878 /nfs/dbraw/zinc/57/68/78/455576878.db2.gz ZCLASYKESROLHN-UYAOXDASSA-N 2 2 347.547 3.332 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247240167 455576882 /nfs/dbraw/zinc/57/68/82/455576882.db2.gz ZCLASYKESROLHN-UYAOXDASSA-N 2 2 347.547 3.332 20 0 EGADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000247303721 455585964 /nfs/dbraw/zinc/58/59/64/455585964.db2.gz PPUYJPYFVMLKRB-GJZGRUSLSA-N 2 2 348.516 3.429 20 0 EGADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000247303721 455585965 /nfs/dbraw/zinc/58/59/65/455585965.db2.gz PPUYJPYFVMLKRB-GJZGRUSLSA-N 2 2 348.516 3.429 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2nc(-c3ccccc3)cs2)CC1 ZINC000268062142 455586975 /nfs/dbraw/zinc/58/69/75/455586975.db2.gz AFDHFJRSIPOOKF-UHFFFAOYSA-N 2 2 330.501 3.248 20 0 EGADLP Nc1[nH+]cnc(NCC2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000192285601 455587661 /nfs/dbraw/zinc/58/76/61/455587661.db2.gz SMJMNIMHWKJBQV-UHFFFAOYSA-N 2 2 331.851 3.036 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000247461373 455604319 /nfs/dbraw/zinc/60/43/19/455604319.db2.gz IKINEAMZUAHTSF-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000247461373 455604322 /nfs/dbraw/zinc/60/43/22/455604322.db2.gz IKINEAMZUAHTSF-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000247461373 455604327 /nfs/dbraw/zinc/60/43/27/455604327.db2.gz IKINEAMZUAHTSF-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000247461373 455604330 /nfs/dbraw/zinc/60/43/30/455604330.db2.gz IKINEAMZUAHTSF-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP COC(=O)C1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000192442566 455617292 /nfs/dbraw/zinc/61/72/92/455617292.db2.gz ALHXEELAHPSVMU-ZLPCBKJTSA-N 2 2 332.488 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247566551 455625766 /nfs/dbraw/zinc/62/57/66/455625766.db2.gz RHLRTKVEVFBWJY-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247566551 455625771 /nfs/dbraw/zinc/62/57/71/455625771.db2.gz RHLRTKVEVFBWJY-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247566551 455625774 /nfs/dbraw/zinc/62/57/74/455625774.db2.gz RHLRTKVEVFBWJY-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000247566551 455625778 /nfs/dbraw/zinc/62/57/78/455625778.db2.gz RHLRTKVEVFBWJY-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000247658415 455635019 /nfs/dbraw/zinc/63/50/19/455635019.db2.gz PTTNOKHLODVMCJ-MPGHIAIKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000247658415 455635027 /nfs/dbraw/zinc/63/50/27/455635027.db2.gz PTTNOKHLODVMCJ-MPGHIAIKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1noc(C[C@@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)c2ccccc2)n1 ZINC000277707241 455641029 /nfs/dbraw/zinc/64/10/29/455641029.db2.gz RZWHFIIFZRPGFY-GOSISDBHSA-N 2 2 347.422 3.408 20 0 EGADLP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000271460588 455645178 /nfs/dbraw/zinc/64/51/78/455645178.db2.gz GDBBKKLHDNURIG-KUHUBIRLSA-N 2 2 325.412 3.209 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)no1 ZINC000284214209 455651493 /nfs/dbraw/zinc/65/14/93/455651493.db2.gz SVFQCVCRIISBHJ-GOSISDBHSA-N 2 2 342.487 3.154 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn21 ZINC000248002100 455668865 /nfs/dbraw/zinc/66/88/65/455668865.db2.gz KMXCRMIFFXZFRL-OXQOHEQNSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn21 ZINC000248002100 455668870 /nfs/dbraw/zinc/66/88/70/455668870.db2.gz KMXCRMIFFXZFRL-OXQOHEQNSA-N 2 2 349.482 3.038 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000192714780 455676118 /nfs/dbraw/zinc/67/61/18/455676118.db2.gz AEELZYBXEXZTAY-UHFFFAOYSA-N 2 2 349.438 3.191 20 0 EGADLP c1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH+]2CCCC2)cc1 ZINC000192909552 455715918 /nfs/dbraw/zinc/71/59/18/455715918.db2.gz YGUUTFWGYOIHQR-LJQANCHMSA-N 2 2 330.472 3.099 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268893216 455720448 /nfs/dbraw/zinc/72/04/48/455720448.db2.gz KAGISRHQSYLXIS-JQHSSLGASA-N 2 2 340.471 3.170 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672431 455727911 /nfs/dbraw/zinc/72/79/11/455727911.db2.gz CISSADRJNWPLAC-KRWDZBQOSA-N 2 2 341.503 3.318 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292672431 455727915 /nfs/dbraw/zinc/72/79/15/455727915.db2.gz CISSADRJNWPLAC-KRWDZBQOSA-N 2 2 341.503 3.318 20 0 EGADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268920139 455731042 /nfs/dbraw/zinc/73/10/42/455731042.db2.gz WFBSCYCSKWMGMI-SFHVURJKSA-N 2 2 330.472 3.135 20 0 EGADLP C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735742 455733929 /nfs/dbraw/zinc/73/39/29/455733929.db2.gz CZJNTOLYOZATPN-HBFSDRIKSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735742 455733936 /nfs/dbraw/zinc/73/39/36/455733936.db2.gz CZJNTOLYOZATPN-HBFSDRIKSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000248886094 455737635 /nfs/dbraw/zinc/73/76/35/455737635.db2.gz XWILETVJRLXYSB-IEBWSBKVSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000248886094 455737638 /nfs/dbraw/zinc/73/76/38/455737638.db2.gz XWILETVJRLXYSB-IEBWSBKVSA-N 2 2 336.520 3.053 20 0 EGADLP CCCCn1c(SC[C@H]2CC[N@H+](C)C2)nnc1[C@H](CC)[NH+](C)C ZINC000248983521 455740834 /nfs/dbraw/zinc/74/08/34/455740834.db2.gz WDUNINHLXRGURF-GJZGRUSLSA-N 2 2 339.553 3.135 20 0 EGADLP CCCCn1c(SC[C@H]2CC[N@@H+](C)C2)nnc1[C@H](CC)[NH+](C)C ZINC000248983521 455740841 /nfs/dbraw/zinc/74/08/41/455740841.db2.gz WDUNINHLXRGURF-GJZGRUSLSA-N 2 2 339.553 3.135 20 0 EGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000268989965 455755245 /nfs/dbraw/zinc/75/52/45/455755245.db2.gz VMJACTWOMVNCEN-PMACEKPBSA-N 2 2 340.467 3.414 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000271830795 455777991 /nfs/dbraw/zinc/77/79/91/455777991.db2.gz QYMBQNSEWPVTBP-DLBZAZTESA-N 2 2 332.488 3.186 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135530 455795657 /nfs/dbraw/zinc/79/56/57/455795657.db2.gz RAFIDRAEDVSFEN-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135530 455795664 /nfs/dbraw/zinc/79/56/64/455795664.db2.gz RAFIDRAEDVSFEN-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135530 455795668 /nfs/dbraw/zinc/79/56/68/455795668.db2.gz RAFIDRAEDVSFEN-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135530 455795676 /nfs/dbraw/zinc/79/56/76/455795676.db2.gz RAFIDRAEDVSFEN-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cs1)C[NH+]1CCOCC1 ZINC000194049594 455795782 /nfs/dbraw/zinc/79/57/82/455795782.db2.gz DJKZHYYOEILGMZ-RYUDHWBXSA-N 2 2 347.322 3.130 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]1 ZINC000278257968 455800124 /nfs/dbraw/zinc/80/01/24/455800124.db2.gz NJTZZJYSJLZWJS-OCCSQVGLSA-N 2 2 345.830 3.398 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000269180409 455804838 /nfs/dbraw/zinc/80/48/38/455804838.db2.gz DDTZZBWGFANRSU-LRDDRELGSA-N 2 2 345.830 3.337 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)c1 ZINC000285504979 455859360 /nfs/dbraw/zinc/85/93/60/455859360.db2.gz AQXNUHPTEMDZBP-MVCQKVDPSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)c1 ZINC000285504979 455859364 /nfs/dbraw/zinc/85/93/64/455859364.db2.gz AQXNUHPTEMDZBP-MVCQKVDPSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285578810 455875293 /nfs/dbraw/zinc/87/52/93/455875293.db2.gz IMOOMBFXUHGXCO-UHFFFAOYSA-N 2 2 343.471 3.371 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285578810 455875296 /nfs/dbraw/zinc/87/52/96/455875296.db2.gz IMOOMBFXUHGXCO-UHFFFAOYSA-N 2 2 343.471 3.371 20 0 EGADLP Cc1ccccc1NC(=O)CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285578810 455875298 /nfs/dbraw/zinc/87/52/98/455875298.db2.gz IMOOMBFXUHGXCO-UHFFFAOYSA-N 2 2 343.471 3.371 20 0 EGADLP Cc1ccccc1NC(=O)CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285578810 455875300 /nfs/dbraw/zinc/87/53/00/455875300.db2.gz IMOOMBFXUHGXCO-UHFFFAOYSA-N 2 2 343.471 3.371 20 0 EGADLP CC(C)CSCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000270115241 455880664 /nfs/dbraw/zinc/88/06/64/455880664.db2.gz KQLZMWUANWZQCO-UHFFFAOYSA-N 2 2 328.445 3.012 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744837 455907617 /nfs/dbraw/zinc/90/76/17/455907617.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744837 455907622 /nfs/dbraw/zinc/90/76/22/455907622.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744837 455907627 /nfs/dbraw/zinc/90/76/27/455907627.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744837 455907629 /nfs/dbraw/zinc/90/76/29/455907629.db2.gz YJDHPMPJUXZBRN-LEWJYISDSA-N 3 2 327.516 3.069 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261673981 455926040 /nfs/dbraw/zinc/92/60/40/455926040.db2.gz GLMIEZGZNQKTIW-SJKOYZFVSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261673981 455926045 /nfs/dbraw/zinc/92/60/45/455926045.db2.gz GLMIEZGZNQKTIW-SJKOYZFVSA-N 2 2 334.851 3.046 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000296474038 455948239 /nfs/dbraw/zinc/94/82/39/455948239.db2.gz PRBIOAPWAVDYCP-INIZCTEOSA-N 2 2 341.503 3.271 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000296474038 455948243 /nfs/dbraw/zinc/94/82/43/455948243.db2.gz PRBIOAPWAVDYCP-INIZCTEOSA-N 2 2 341.503 3.271 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000296482985 455950543 /nfs/dbraw/zinc/95/05/43/455950543.db2.gz PGSXFDAXCXWZII-LPHOPBHVSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000296482985 455950544 /nfs/dbraw/zinc/95/05/44/455950544.db2.gz PGSXFDAXCXWZII-LPHOPBHVSA-N 2 2 326.488 3.464 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261899604 455968438 /nfs/dbraw/zinc/96/84/38/455968438.db2.gz WJTBCBXLTPMNIP-VQTJNVASSA-N 2 2 332.451 3.312 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261899604 455968440 /nfs/dbraw/zinc/96/84/40/455968440.db2.gz WJTBCBXLTPMNIP-VQTJNVASSA-N 2 2 332.451 3.312 20 0 EGADLP Nc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907107 455969708 /nfs/dbraw/zinc/96/97/08/455969708.db2.gz XJEFLJRFEFEHEJ-FUHWJXTLSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907107 455969710 /nfs/dbraw/zinc/96/97/10/455969710.db2.gz XJEFLJRFEFEHEJ-FUHWJXTLSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000261907107 455969713 /nfs/dbraw/zinc/96/97/13/455969713.db2.gz XJEFLJRFEFEHEJ-FUHWJXTLSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000261907107 455969717 /nfs/dbraw/zinc/96/97/17/455969717.db2.gz XJEFLJRFEFEHEJ-FUHWJXTLSA-N 2 2 342.512 3.212 20 0 EGADLP OCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188040684 455984226 /nfs/dbraw/zinc/98/42/26/455984226.db2.gz ZNMRYZPLOSPFRK-DNVCBOLYSA-N 2 2 336.907 3.445 20 0 EGADLP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000188050223 455986691 /nfs/dbraw/zinc/98/66/91/455986691.db2.gz PFBHSLUCQYOCBS-IBGZPJMESA-N 2 2 341.430 3.299 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286181240 455995208 /nfs/dbraw/zinc/99/52/08/455995208.db2.gz QWJNWVUCXPXUKH-VBQJREDUSA-N 2 2 332.488 3.158 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286181240 455995212 /nfs/dbraw/zinc/99/52/12/455995212.db2.gz QWJNWVUCXPXUKH-VBQJREDUSA-N 2 2 332.488 3.158 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286357396 456031949 /nfs/dbraw/zinc/03/19/49/456031949.db2.gz FUXUKEHXDWHANX-CZUORRHYSA-N 2 2 326.843 3.098 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286357396 456031953 /nfs/dbraw/zinc/03/19/53/456031953.db2.gz FUXUKEHXDWHANX-CZUORRHYSA-N 2 2 326.843 3.098 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc(CC)[nH+]c(C)n3)CC2)cc1 ZINC000301334400 456092797 /nfs/dbraw/zinc/09/27/97/456092797.db2.gz FTKPJPCTJISGRV-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)CC3 ZINC000272905647 456107393 /nfs/dbraw/zinc/10/73/93/456107393.db2.gz KWGKBDMPPPRWME-ZMOMAAQPSA-N 2 2 339.483 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)CC3 ZINC000272905647 456107401 /nfs/dbraw/zinc/10/74/01/456107401.db2.gz KWGKBDMPPPRWME-ZMOMAAQPSA-N 2 2 339.483 3.106 20 0 EGADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692679 456112362 /nfs/dbraw/zinc/11/23/62/456112362.db2.gz KLBVLDSJFYQSTR-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692679 456112366 /nfs/dbraw/zinc/11/23/66/456112366.db2.gz KLBVLDSJFYQSTR-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692679 456112374 /nfs/dbraw/zinc/11/23/74/456112374.db2.gz KLBVLDSJFYQSTR-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692679 456112377 /nfs/dbraw/zinc/11/23/77/456112377.db2.gz KLBVLDSJFYQSTR-UYAOXDASSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@H+](C)Cc1ccccc1 ZINC000272969439 456128689 /nfs/dbraw/zinc/12/86/89/456128689.db2.gz XBJUFRSWAMWTQO-MRXNPFEDSA-N 2 2 344.528 3.222 20 0 EGADLP C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000272969439 456128692 /nfs/dbraw/zinc/12/86/92/456128692.db2.gz XBJUFRSWAMWTQO-MRXNPFEDSA-N 2 2 344.528 3.222 20 0 EGADLP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000188771873 456132794 /nfs/dbraw/zinc/13/27/94/456132794.db2.gz URHXGTOEPUWJHG-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297147808 456133095 /nfs/dbraw/zinc/13/30/95/456133095.db2.gz ZURPAXJLBCCBTJ-XYPHTWIQSA-N 2 2 348.853 3.403 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297147808 456133097 /nfs/dbraw/zinc/13/30/97/456133097.db2.gz ZURPAXJLBCCBTJ-XYPHTWIQSA-N 2 2 348.853 3.403 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)n1-c1ccccc1 ZINC000188971665 456187341 /nfs/dbraw/zinc/18/73/41/456187341.db2.gz TXORKIPNOAYMAO-LJQANCHMSA-N 2 2 335.451 3.182 20 0 EGADLP Cc1nn2c(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)c(C(C)C)nc2s1 ZINC000333289892 456194357 /nfs/dbraw/zinc/19/43/57/456194357.db2.gz OJXDTHYAXCIPBC-OBJOEFQTSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1nn2c(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)c(C(C)C)nc2s1 ZINC000333289892 456194367 /nfs/dbraw/zinc/19/43/67/456194367.db2.gz OJXDTHYAXCIPBC-OBJOEFQTSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000263715026 456199951 /nfs/dbraw/zinc/19/99/51/456199951.db2.gz NTQZVCQSTWVYRM-UHFFFAOYSA-N 2 2 331.504 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000263715026 456199954 /nfs/dbraw/zinc/19/99/54/456199954.db2.gz NTQZVCQSTWVYRM-UHFFFAOYSA-N 2 2 331.504 3.355 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000263723854 456204391 /nfs/dbraw/zinc/20/43/91/456204391.db2.gz PAPOQMDDGVXQPD-MRXNPFEDSA-N 2 2 349.494 3.150 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000263723854 456204394 /nfs/dbraw/zinc/20/43/94/456204394.db2.gz PAPOQMDDGVXQPD-MRXNPFEDSA-N 2 2 349.494 3.150 20 0 EGADLP Fc1ccc(Cn2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000189053647 456212039 /nfs/dbraw/zinc/21/20/39/456212039.db2.gz AZELBJFEMQGZEX-UHFFFAOYSA-N 2 2 342.462 3.035 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000237016743 456219267 /nfs/dbraw/zinc/21/92/67/456219267.db2.gz KFVWCLNCGRETNF-LIRRHRJNSA-N 2 2 342.487 3.136 20 0 EGADLP Cc1ccc2c(C[N@H+](C)CCC[NH+]3CCCC3)cc(=O)oc2c1C ZINC000281416712 456228396 /nfs/dbraw/zinc/22/83/96/456228396.db2.gz RMZJNHUGUUFZML-UHFFFAOYSA-N 2 2 328.456 3.328 20 0 EGADLP Cc1ccc2c(C[N@@H+](C)CCC[NH+]3CCCC3)cc(=O)oc2c1C ZINC000281416712 456228403 /nfs/dbraw/zinc/22/84/03/456228403.db2.gz RMZJNHUGUUFZML-UHFFFAOYSA-N 2 2 328.456 3.328 20 0 EGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290061359 456229208 /nfs/dbraw/zinc/22/92/08/456229208.db2.gz XTXQZIMTFNLFMM-IYBDPMFKSA-N 2 2 326.488 3.486 20 0 EGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290061359 456229212 /nfs/dbraw/zinc/22/92/12/456229212.db2.gz XTXQZIMTFNLFMM-IYBDPMFKSA-N 2 2 326.488 3.486 20 0 EGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290061359 456229218 /nfs/dbraw/zinc/22/92/18/456229218.db2.gz XTXQZIMTFNLFMM-IYBDPMFKSA-N 2 2 326.488 3.486 20 0 EGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290061359 456229222 /nfs/dbraw/zinc/22/92/22/456229222.db2.gz XTXQZIMTFNLFMM-IYBDPMFKSA-N 2 2 326.488 3.486 20 0 EGADLP Nc1nc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]c2ccccc12 ZINC000301876719 456239240 /nfs/dbraw/zinc/23/92/40/456239240.db2.gz GXIOLIXBXZAFCG-UHFFFAOYSA-N 2 2 339.487 3.304 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000281523498 456257454 /nfs/dbraw/zinc/25/74/54/456257454.db2.gz ZNEVLARGOXAOIW-MRXNPFEDSA-N 2 2 341.377 3.295 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CCC2)c(Cl)c1 ZINC000275651062 456278399 /nfs/dbraw/zinc/27/83/99/456278399.db2.gz DRSGBWQKHKXKOU-CQSZACIVSA-N 2 2 337.895 3.439 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297722156 456280312 /nfs/dbraw/zinc/28/03/12/456280312.db2.gz NEVRWLRDJINZCL-ZIFCJYIRSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000297722156 456280316 /nfs/dbraw/zinc/28/03/16/456280316.db2.gz NEVRWLRDJINZCL-ZIFCJYIRSA-N 2 2 326.488 3.464 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2ncnn2CC(C)C)CC1)CC1CC1 ZINC000352768993 456290719 /nfs/dbraw/zinc/29/07/19/456290719.db2.gz LMIASTISWBMTDD-UHFFFAOYSA-N 2 2 347.551 3.268 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2ncnn2CC(C)C)CC1)CC1CC1 ZINC000352768993 456290725 /nfs/dbraw/zinc/29/07/25/456290725.db2.gz LMIASTISWBMTDD-UHFFFAOYSA-N 2 2 347.551 3.268 20 0 EGADLP COc1cccc(OC)c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000352777094 456296690 /nfs/dbraw/zinc/29/66/90/456296690.db2.gz ADJZFFVRTCUQRI-UHFFFAOYSA-N 2 2 340.467 3.242 20 0 EGADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000352777094 456296694 /nfs/dbraw/zinc/29/66/94/456296694.db2.gz ADJZFFVRTCUQRI-UHFFFAOYSA-N 2 2 340.467 3.242 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683721 456303996 /nfs/dbraw/zinc/30/39/96/456303996.db2.gz ZQLARHAYJMHANG-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683721 456304001 /nfs/dbraw/zinc/30/40/01/456304001.db2.gz ZQLARHAYJMHANG-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP C[NH+](C)C1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000275757429 456305582 /nfs/dbraw/zinc/30/55/82/456305582.db2.gz SNIIGDNSAOPDNR-UHFFFAOYSA-N 2 2 335.923 3.378 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790959 456308208 /nfs/dbraw/zinc/30/82/08/456308208.db2.gz MLISEUPXSJVSHF-LPHOPBHVSA-N 2 2 338.451 3.210 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790959 456308215 /nfs/dbraw/zinc/30/82/15/456308215.db2.gz MLISEUPXSJVSHF-LPHOPBHVSA-N 2 2 338.451 3.210 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000297853884 456309186 /nfs/dbraw/zinc/30/91/86/456309186.db2.gz SZYBOANZAQHRMR-IBGZPJMESA-N 2 2 336.439 3.343 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000290384555 456311421 /nfs/dbraw/zinc/31/14/21/456311421.db2.gz IWZJSELIYZUMGM-INIZCTEOSA-N 2 2 346.438 3.281 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000290384555 456311427 /nfs/dbraw/zinc/31/14/27/456311427.db2.gz IWZJSELIYZUMGM-INIZCTEOSA-N 2 2 346.438 3.281 20 0 EGADLP COC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCCC1 ZINC000275835414 456327703 /nfs/dbraw/zinc/32/77/03/456327703.db2.gz IIBOKAVSOOZCPH-LJQANCHMSA-N 2 2 346.519 3.229 20 0 EGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352821538 456335922 /nfs/dbraw/zinc/33/59/22/456335922.db2.gz PYLCKNQKRZUVJV-ZDUSSCGKSA-N 2 2 340.393 3.321 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000352834035 456348558 /nfs/dbraw/zinc/34/85/58/456348558.db2.gz JYODBZVVRVBSGX-TXEJJXNPSA-N 2 2 336.423 3.356 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000352834035 456348562 /nfs/dbraw/zinc/34/85/62/456348562.db2.gz JYODBZVVRVBSGX-TXEJJXNPSA-N 2 2 336.423 3.356 20 0 EGADLP Cn1c[nH+]cc1CC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000347760882 456355211 /nfs/dbraw/zinc/35/52/11/456355211.db2.gz VAJVKFPFKBSNFP-HXUWFJFHSA-N 2 2 345.450 3.229 20 0 EGADLP COc1cccc2c(N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc[nH+]c12 ZINC000302525266 456355388 /nfs/dbraw/zinc/35/53/88/456355388.db2.gz JYDQVFGSDKTSPG-OAHLLOKOSA-N 2 2 336.439 3.436 20 0 EGADLP C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290676765 456402297 /nfs/dbraw/zinc/40/22/97/456402297.db2.gz LRHWSDIWTYBSSM-LSDHHAIUSA-N 2 2 341.459 3.109 20 0 EGADLP C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000290676765 456402303 /nfs/dbraw/zinc/40/23/03/456402303.db2.gz LRHWSDIWTYBSSM-LSDHHAIUSA-N 2 2 341.459 3.109 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)s1 ZINC000347847876 456403195 /nfs/dbraw/zinc/40/31/95/456403195.db2.gz LEBJPVFZFRRDLA-QGZVFWFLSA-N 2 2 345.512 3.386 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)s1 ZINC000347847876 456403201 /nfs/dbraw/zinc/40/32/01/456403201.db2.gz LEBJPVFZFRRDLA-QGZVFWFLSA-N 2 2 345.512 3.386 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479852 456484814 /nfs/dbraw/zinc/48/48/14/456484814.db2.gz NGDOKOUFRXFLIU-TZIWHRDSSA-N 3 2 344.547 3.148 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479852 456484822 /nfs/dbraw/zinc/48/48/22/456484822.db2.gz NGDOKOUFRXFLIU-TZIWHRDSSA-N 3 2 344.547 3.148 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847797 456445729 /nfs/dbraw/zinc/44/57/29/456445729.db2.gz ZGFVKQXVHMMVSQ-MAUKXSAKSA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(Cl)c1 ZINC000290847797 456445735 /nfs/dbraw/zinc/44/57/35/456445735.db2.gz ZGFVKQXVHMMVSQ-MAUKXSAKSA-N 2 2 340.895 3.118 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)n1-c1ccccc1 ZINC000291002150 456492421 /nfs/dbraw/zinc/49/24/21/456492421.db2.gz WBPZMIOOPWDZCC-QGZVFWFLSA-N 2 2 341.846 3.478 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)n1-c1ccccc1 ZINC000291002150 456492424 /nfs/dbraw/zinc/49/24/24/456492424.db2.gz WBPZMIOOPWDZCC-QGZVFWFLSA-N 2 2 341.846 3.478 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccncc1F ZINC000340517132 456504366 /nfs/dbraw/zinc/50/43/66/456504366.db2.gz LHUZAPRDMWOQLR-CQSZACIVSA-N 2 2 343.450 3.319 20 0 EGADLP C[C@H]1CCSCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151247 456512351 /nfs/dbraw/zinc/51/23/51/456512351.db2.gz MUFHWPJJSIYYPT-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CCSCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151247 456512357 /nfs/dbraw/zinc/51/23/57/456512357.db2.gz MUFHWPJJSIYYPT-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CCSCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348151247 456512360 /nfs/dbraw/zinc/51/23/60/456512360.db2.gz MUFHWPJJSIYYPT-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CCSCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348151247 456512364 /nfs/dbraw/zinc/51/23/64/456512364.db2.gz MUFHWPJJSIYYPT-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000343315388 456525259 /nfs/dbraw/zinc/52/52/59/456525259.db2.gz PRBDGKINQOTNRE-ZWKOTPCHSA-N 2 2 331.847 3.031 20 0 EGADLP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000343315388 456525263 /nfs/dbraw/zinc/52/52/63/456525263.db2.gz PRBDGKINQOTNRE-ZWKOTPCHSA-N 2 2 331.847 3.031 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000353152146 456525365 /nfs/dbraw/zinc/52/53/65/456525365.db2.gz HHAMMCMTCHNIRI-KXZRCVDZSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000353152146 456525369 /nfs/dbraw/zinc/52/53/69/456525369.db2.gz HHAMMCMTCHNIRI-KXZRCVDZSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000353152146 456525374 /nfs/dbraw/zinc/52/53/74/456525374.db2.gz HHAMMCMTCHNIRI-KXZRCVDZSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000353152146 456525380 /nfs/dbraw/zinc/52/53/80/456525380.db2.gz HHAMMCMTCHNIRI-KXZRCVDZSA-N 2 2 343.515 3.057 20 0 EGADLP CCCn1ncnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282489618 456530676 /nfs/dbraw/zinc/53/06/76/456530676.db2.gz MIXZMBUYQACCMZ-GOSISDBHSA-N 2 2 341.503 3.078 20 0 EGADLP CCCn1ncnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282489618 456530680 /nfs/dbraw/zinc/53/06/80/456530680.db2.gz MIXZMBUYQACCMZ-GOSISDBHSA-N 2 2 341.503 3.078 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498286 456533419 /nfs/dbraw/zinc/53/34/19/456533419.db2.gz RQEZTSKUMSKZKY-FQEVSTJZSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498286 456533424 /nfs/dbraw/zinc/53/34/24/456533424.db2.gz RQEZTSKUMSKZKY-FQEVSTJZSA-N 3 2 329.532 3.361 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1OC ZINC000315799415 456610414 /nfs/dbraw/zinc/61/04/14/456610414.db2.gz IIXFNDKKWLKOHJ-ZDUSSCGKSA-N 2 2 326.868 3.177 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)c1OC ZINC000315799415 456610419 /nfs/dbraw/zinc/61/04/19/456610419.db2.gz IIXFNDKKWLKOHJ-ZDUSSCGKSA-N 2 2 326.868 3.177 20 0 EGADLP COCC[C@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000282777085 456622138 /nfs/dbraw/zinc/62/21/38/456622138.db2.gz PHSOORSUSJXGKD-APWZRJJASA-N 2 2 346.519 3.229 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332891 456631510 /nfs/dbraw/zinc/63/15/10/456631510.db2.gz WNKLBKFXHTUSIR-YSIASYRMSA-N 2 2 349.478 3.077 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332891 456631516 /nfs/dbraw/zinc/63/15/16/456631516.db2.gz WNKLBKFXHTUSIR-YSIASYRMSA-N 2 2 349.478 3.077 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332891 456631522 /nfs/dbraw/zinc/63/15/22/456631522.db2.gz WNKLBKFXHTUSIR-YSIASYRMSA-N 2 2 349.478 3.077 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332891 456631529 /nfs/dbraw/zinc/63/15/29/456631529.db2.gz WNKLBKFXHTUSIR-YSIASYRMSA-N 2 2 349.478 3.077 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)oc21 ZINC000353323415 456638787 /nfs/dbraw/zinc/63/87/87/456638787.db2.gz ZOTOLAWOXSIWGV-NVXWUHKLSA-N 2 2 346.471 3.185 20 0 EGADLP C[C@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276992128 456644083 /nfs/dbraw/zinc/64/40/83/456644083.db2.gz XPAUGTGZTORJGI-MGPQQGTHSA-N 2 2 338.415 3.251 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282888821 456656538 /nfs/dbraw/zinc/65/65/38/456656538.db2.gz DIOSQSBHVWCYJY-MRXNPFEDSA-N 2 2 346.906 3.464 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282888821 456656543 /nfs/dbraw/zinc/65/65/43/456656543.db2.gz DIOSQSBHVWCYJY-MRXNPFEDSA-N 2 2 346.906 3.464 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000282952069 456673359 /nfs/dbraw/zinc/67/33/59/456673359.db2.gz HEWAMLPHYFPWNJ-PXNSSMCTSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000282952069 456673366 /nfs/dbraw/zinc/67/33/66/456673366.db2.gz HEWAMLPHYFPWNJ-PXNSSMCTSA-N 3 2 326.488 3.082 20 0 EGADLP CCC[NH+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338198506 456699675 /nfs/dbraw/zinc/69/96/75/456699675.db2.gz TWTBHPDYKKWIFA-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000283065849 456703056 /nfs/dbraw/zinc/70/30/56/456703056.db2.gz RGCNIMIJZOQBTJ-QGZVFWFLSA-N 2 2 328.460 3.379 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000277222162 456730515 /nfs/dbraw/zinc/73/05/15/456730515.db2.gz OAYJFUMMSIELBQ-UHFFFAOYSA-N 2 2 343.397 3.117 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000277222162 456730519 /nfs/dbraw/zinc/73/05/19/456730519.db2.gz OAYJFUMMSIELBQ-UHFFFAOYSA-N 2 2 343.397 3.117 20 0 EGADLP CSc1cc2c(cc1C[N@H+](C)CCC[NH+]1CCCC1)OCCO2 ZINC000343600963 456734795 /nfs/dbraw/zinc/73/47/95/456734795.db2.gz IUXSOKAEGTUEOT-UHFFFAOYSA-N 2 2 336.501 3.097 20 0 EGADLP CSc1cc2c(cc1C[N@@H+](C)CCC[NH+]1CCCC1)OCCO2 ZINC000343600963 456734802 /nfs/dbraw/zinc/73/48/02/456734802.db2.gz IUXSOKAEGTUEOT-UHFFFAOYSA-N 2 2 336.501 3.097 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(O)c4nc(C)ccc34)CC2)c1 ZINC000338277602 456744296 /nfs/dbraw/zinc/74/42/96/456744296.db2.gz GDZNSQDKMADHPL-UHFFFAOYSA-N 2 2 348.450 3.274 20 0 EGADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544715 456748663 /nfs/dbraw/zinc/74/86/63/456748663.db2.gz QAHQTCAXRQXPRN-MJGOQNOKSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544715 456748668 /nfs/dbraw/zinc/74/86/68/456748668.db2.gz QAHQTCAXRQXPRN-MJGOQNOKSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353544715 456748673 /nfs/dbraw/zinc/74/86/73/456748673.db2.gz QAHQTCAXRQXPRN-MJGOQNOKSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544715 456748678 /nfs/dbraw/zinc/74/86/78/456748678.db2.gz QAHQTCAXRQXPRN-MJGOQNOKSA-N 2 2 349.519 3.070 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000353548266 456749363 /nfs/dbraw/zinc/74/93/63/456749363.db2.gz LAHVDMQHBUGWIN-GOSISDBHSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000353548266 456749369 /nfs/dbraw/zinc/74/93/69/456749369.db2.gz LAHVDMQHBUGWIN-GOSISDBHSA-N 2 2 335.455 3.061 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553603 456754784 /nfs/dbraw/zinc/75/47/84/456754784.db2.gz SNZIFYYAHYOHDU-MOPGFXCFSA-N 2 2 344.499 3.363 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553603 456754788 /nfs/dbraw/zinc/75/47/88/456754788.db2.gz SNZIFYYAHYOHDU-MOPGFXCFSA-N 2 2 344.499 3.363 20 0 EGADLP CCC(CC)n1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000340912109 456755761 /nfs/dbraw/zinc/75/57/61/456755761.db2.gz STHRQVDYAWKFCF-MRXNPFEDSA-N 2 2 329.492 3.432 20 0 EGADLP CCC(CC)n1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000340912109 456755762 /nfs/dbraw/zinc/75/57/62/456755762.db2.gz STHRQVDYAWKFCF-MRXNPFEDSA-N 2 2 329.492 3.432 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000338306975 456763666 /nfs/dbraw/zinc/76/36/66/456763666.db2.gz OZGBFKQHJNNHRN-LJQANCHMSA-N 2 2 332.467 3.312 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000338306975 456763668 /nfs/dbraw/zinc/76/36/68/456763668.db2.gz OZGBFKQHJNNHRN-LJQANCHMSA-N 2 2 332.467 3.312 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832583 456777394 /nfs/dbraw/zinc/77/73/94/456777394.db2.gz YJHCYOOCPJKKRW-XJKSGUPXSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832583 456777400 /nfs/dbraw/zinc/77/74/00/456777400.db2.gz YJHCYOOCPJKKRW-XJKSGUPXSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832583 456777405 /nfs/dbraw/zinc/77/74/05/456777405.db2.gz YJHCYOOCPJKKRW-XJKSGUPXSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832583 456777407 /nfs/dbraw/zinc/77/74/07/456777407.db2.gz YJHCYOOCPJKKRW-XJKSGUPXSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccc(F)c1 ZINC000301186068 456816062 /nfs/dbraw/zinc/81/60/62/456816062.db2.gz UUHZIHHURHETQM-QGZVFWFLSA-N 2 2 343.450 3.321 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nncn1C ZINC000348714416 456826507 /nfs/dbraw/zinc/82/65/07/456826507.db2.gz YQUXUCXKNHSZCL-BPQIPLTHSA-N 2 2 333.524 3.145 20 0 EGADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc2c(c1)OCO2 ZINC000353649225 456828156 /nfs/dbraw/zinc/82/81/56/456828156.db2.gz LAGYYGFJDJJRDA-UHFFFAOYSA-N 2 2 342.439 3.200 20 0 EGADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc2c(c1)OCO2 ZINC000353649225 456828161 /nfs/dbraw/zinc/82/81/61/456828161.db2.gz LAGYYGFJDJJRDA-UHFFFAOYSA-N 2 2 342.439 3.200 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344449559 456828284 /nfs/dbraw/zinc/82/82/84/456828284.db2.gz PJTZYLLPZBWJIE-RLLQIKCJSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344449559 456828289 /nfs/dbraw/zinc/82/82/89/456828289.db2.gz PJTZYLLPZBWJIE-RLLQIKCJSA-N 2 2 341.499 3.383 20 0 EGADLP c1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341307351 456838946 /nfs/dbraw/zinc/83/89/46/456838946.db2.gz KKTJLEPRQIZNSS-RTWAWAEBSA-N 2 2 337.467 3.166 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339075615 456928345 /nfs/dbraw/zinc/92/83/45/456928345.db2.gz QNIMIUCECUKWMC-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339075615 456928348 /nfs/dbraw/zinc/92/83/48/456928348.db2.gz QNIMIUCECUKWMC-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP C[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CCN1C1CC[NH+](C)CC1 ZINC000349325591 456943641 /nfs/dbraw/zinc/94/36/41/456943641.db2.gz CVKJLBZXXPVSBV-HNNXBMFYSA-N 2 2 348.560 3.011 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CCN1C1CC[NH+](C)CC1 ZINC000349325591 456943646 /nfs/dbraw/zinc/94/36/46/456943646.db2.gz CVKJLBZXXPVSBV-HNNXBMFYSA-N 2 2 348.560 3.011 20 0 EGADLP CCOc1c(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)nn1CC(C)C ZINC000349347407 456948990 /nfs/dbraw/zinc/94/89/90/456948990.db2.gz LPWPADBEIAAFCF-UHFFFAOYSA-N 2 2 347.507 3.273 20 0 EGADLP CCOc1c(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)nn1CC(C)C ZINC000349347407 456948991 /nfs/dbraw/zinc/94/89/91/456948991.db2.gz LPWPADBEIAAFCF-UHFFFAOYSA-N 2 2 347.507 3.273 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCc1ccncc1 ZINC000349354773 456950652 /nfs/dbraw/zinc/95/06/52/456950652.db2.gz SYLQEUHFLMMHAZ-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCc1ccncc1 ZINC000349354773 456950654 /nfs/dbraw/zinc/95/06/54/456950654.db2.gz SYLQEUHFLMMHAZ-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)cc2c1OCC2 ZINC000349364161 456953568 /nfs/dbraw/zinc/95/35/68/456953568.db2.gz GCTSKQOLVRFUKC-UHFFFAOYSA-N 2 2 341.293 3.158 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)cc2c1OCC2 ZINC000349364161 456953571 /nfs/dbraw/zinc/95/35/71/456953571.db2.gz GCTSKQOLVRFUKC-UHFFFAOYSA-N 2 2 341.293 3.158 20 0 EGADLP C[C@@H]1C[C@@H]1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406574 456963493 /nfs/dbraw/zinc/96/34/93/456963493.db2.gz LXEGWGLPQSSWHO-CHWSQXEVSA-N 2 2 338.249 3.397 20 0 EGADLP C[C@@H]1C[C@@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406574 456963494 /nfs/dbraw/zinc/96/34/94/456963494.db2.gz LXEGWGLPQSSWHO-CHWSQXEVSA-N 2 2 338.249 3.397 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000353923737 456967805 /nfs/dbraw/zinc/96/78/05/456967805.db2.gz OWXDLBHNVFKXGW-VQTJNVASSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000353923737 456967807 /nfs/dbraw/zinc/96/78/07/456967807.db2.gz OWXDLBHNVFKXGW-VQTJNVASSA-N 2 2 337.467 3.377 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000353948365 456975913 /nfs/dbraw/zinc/97/59/13/456975913.db2.gz UGQNHUJGDPJGQZ-YPMHNXCESA-N 2 2 332.366 3.024 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000353948365 456975914 /nfs/dbraw/zinc/97/59/14/456975914.db2.gz UGQNHUJGDPJGQZ-YPMHNXCESA-N 2 2 332.366 3.024 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349802580 457057390 /nfs/dbraw/zinc/05/73/90/457057390.db2.gz UQUPMURINFUEFW-UHFFFAOYSA-N 2 2 325.456 3.391 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000354097747 457061015 /nfs/dbraw/zinc/06/10/15/457061015.db2.gz SDUMGSGCASFWHL-INIZCTEOSA-N 2 2 349.500 3.336 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000354097747 457061018 /nfs/dbraw/zinc/06/10/18/457061018.db2.gz SDUMGSGCASFWHL-INIZCTEOSA-N 2 2 349.500 3.336 20 0 EGADLP COc1ccc(-n2c(C[NH2+]CC3([NH3+])CCC3)nc3ccccc32)cc1 ZINC000342100369 457108905 /nfs/dbraw/zinc/10/89/05/457108905.db2.gz JZAUILFGJKLSQH-UHFFFAOYSA-N 2 2 336.439 3.005 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000342123835 457121778 /nfs/dbraw/zinc/12/17/78/457121778.db2.gz IDECVDOQFFGSFF-HNNXBMFYSA-N 2 2 339.439 3.277 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)c1 ZINC000349960128 457121981 /nfs/dbraw/zinc/12/19/81/457121981.db2.gz AMLBLNPUEVDGNU-IHWYPQMZSA-N 2 2 345.393 3.204 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209637 457133983 /nfs/dbraw/zinc/13/39/83/457133983.db2.gz QWSFJTDDCVASGJ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209637 457133989 /nfs/dbraw/zinc/13/39/89/457133989.db2.gz QWSFJTDDCVASGJ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209637 457133992 /nfs/dbraw/zinc/13/39/92/457133992.db2.gz QWSFJTDDCVASGJ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@@H]1C ZINC000354209637 457133998 /nfs/dbraw/zinc/13/39/98/457133998.db2.gz QWSFJTDDCVASGJ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219775 457137599 /nfs/dbraw/zinc/13/75/99/457137599.db2.gz DICVXNTWQPQUMK-ROUUACIJSA-N 2 2 331.504 3.355 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219775 457137603 /nfs/dbraw/zinc/13/76/03/457137603.db2.gz DICVXNTWQPQUMK-ROUUACIJSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219775 457137608 /nfs/dbraw/zinc/13/76/08/457137608.db2.gz DICVXNTWQPQUMK-ROUUACIJSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@@H]1C ZINC000354219775 457137615 /nfs/dbraw/zinc/13/76/15/457137615.db2.gz DICVXNTWQPQUMK-ROUUACIJSA-N 2 2 331.504 3.355 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932122 457155371 /nfs/dbraw/zinc/15/53/71/457155371.db2.gz DWFPCBKBCXYAPT-IPELMVKDSA-N 2 2 327.472 3.091 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(N2CCCC2=O)c1 ZINC000359932122 457155373 /nfs/dbraw/zinc/15/53/73/457155373.db2.gz DWFPCBKBCXYAPT-IPELMVKDSA-N 2 2 327.472 3.091 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3C[C@@H]3C(F)F)c[nH+]c12 ZINC000342235298 457185077 /nfs/dbraw/zinc/18/50/77/457185077.db2.gz VCTAGVWUFOHXLN-QWRGUYRKSA-N 2 2 330.176 3.148 20 0 EGADLP CCCCNC(=O)CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659863 457196969 /nfs/dbraw/zinc/19/69/69/457196969.db2.gz CEPYCYGMWADKSP-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP CCCCNC(=O)CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659863 457196974 /nfs/dbraw/zinc/19/69/74/457196974.db2.gz CEPYCYGMWADKSP-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044571 457201529 /nfs/dbraw/zinc/20/15/29/457201529.db2.gz NHZUEKYIDMVZQE-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044571 457201536 /nfs/dbraw/zinc/20/15/36/457201536.db2.gz NHZUEKYIDMVZQE-OXQOHEQNSA-N 2 2 325.456 3.362 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000360030125 457213440 /nfs/dbraw/zinc/21/34/40/457213440.db2.gz UQFFTESDRBVMHB-CRAIPNDOSA-N 2 2 344.503 3.448 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000360030125 457213444 /nfs/dbraw/zinc/21/34/44/457213444.db2.gz UQFFTESDRBVMHB-CRAIPNDOSA-N 2 2 344.503 3.448 20 0 EGADLP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347088940 457225101 /nfs/dbraw/zinc/22/51/01/457225101.db2.gz NMLKETWWTCETMI-HXUWFJFHSA-N 2 2 342.439 3.403 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347088940 457225106 /nfs/dbraw/zinc/22/51/06/457225106.db2.gz NMLKETWWTCETMI-HXUWFJFHSA-N 2 2 342.439 3.403 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)c1 ZINC000354453065 457232798 /nfs/dbraw/zinc/23/27/98/457232798.db2.gz DKGUPUQJYMAYJX-MAUKXSAKSA-N 2 2 336.476 3.447 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Oc3cnccn3)cc1)CCC2 ZINC000363168235 457244156 /nfs/dbraw/zinc/24/41/56/457244156.db2.gz VTAUWSVGISCMGW-KRWDZBQOSA-N 2 2 349.438 3.441 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1)CCC2 ZINC000360080251 457244377 /nfs/dbraw/zinc/24/43/77/457244377.db2.gz VEJHOGGULKXIDZ-RDJZCZTQSA-N 2 2 340.471 3.100 20 0 EGADLP Cc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000356978356 457254786 /nfs/dbraw/zinc/25/47/86/457254786.db2.gz JSNJSDYJJWBQGH-WBVHZDCISA-N 2 2 332.492 3.294 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H]2CC[C@H](c3nc(C4CC4)no3)O2)c[nH+]1 ZINC000354650587 457297828 /nfs/dbraw/zinc/29/78/28/457297828.db2.gz BHUCJOGIICJJOD-IAGOWNOFSA-N 2 2 342.443 3.093 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000351472182 457298148 /nfs/dbraw/zinc/29/81/48/457298148.db2.gz ACWDGJMUBQLRJS-BBWFWOEESA-N 2 2 326.444 3.029 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000351472182 457298151 /nfs/dbraw/zinc/29/81/51/457298151.db2.gz ACWDGJMUBQLRJS-BBWFWOEESA-N 2 2 326.444 3.029 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472651 457298866 /nfs/dbraw/zinc/29/88/66/457298866.db2.gz BFUPLXNKBWCQOI-XTBFLFJDSA-N 2 2 346.862 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472651 457298870 /nfs/dbraw/zinc/29/88/70/457298870.db2.gz BFUPLXNKBWCQOI-XTBFLFJDSA-N 2 2 346.862 3.044 20 0 EGADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000360429781 457310020 /nfs/dbraw/zinc/31/00/20/457310020.db2.gz UJGOTSKVLKDSKY-IBGZPJMESA-N 2 2 329.532 3.363 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085345 457313716 /nfs/dbraw/zinc/31/37/16/457313716.db2.gz SKXUCJVJLRMSKI-HIFRSBDPSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085345 457313724 /nfs/dbraw/zinc/31/37/24/457313724.db2.gz SKXUCJVJLRMSKI-HIFRSBDPSA-N 2 2 346.272 3.039 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000355221881 457350112 /nfs/dbraw/zinc/35/01/12/457350112.db2.gz ORZGYBDFLNHYBD-HXUWFJFHSA-N 2 2 346.478 3.484 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000355221881 457350114 /nfs/dbraw/zinc/35/01/14/457350114.db2.gz ORZGYBDFLNHYBD-HXUWFJFHSA-N 2 2 346.478 3.484 20 0 EGADLP OC[C@@H]1C=C[C@@H]([N@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330968 457356279 /nfs/dbraw/zinc/35/62/79/457356279.db2.gz HWBZFLZMJNKBKV-QZTJIDSGSA-N 2 2 334.529 3.363 20 0 EGADLP OC[C@@H]1C=C[C@@H]([N@@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330968 457356280 /nfs/dbraw/zinc/35/62/80/457356280.db2.gz HWBZFLZMJNKBKV-QZTJIDSGSA-N 2 2 334.529 3.363 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000352433905 457364240 /nfs/dbraw/zinc/36/42/40/457364240.db2.gz YZUSOKSCAYQLDR-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000352433905 457364245 /nfs/dbraw/zinc/36/42/45/457364245.db2.gz YZUSOKSCAYQLDR-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000352433905 457364249 /nfs/dbraw/zinc/36/42/49/457364249.db2.gz YZUSOKSCAYQLDR-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000352433905 457364253 /nfs/dbraw/zinc/36/42/53/457364253.db2.gz YZUSOKSCAYQLDR-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000363652544 457398131 /nfs/dbraw/zinc/39/81/31/457398131.db2.gz QJLPVVDJUVJSLZ-JXFKEZNVSA-N 2 2 343.515 3.285 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000363652544 457398138 /nfs/dbraw/zinc/39/81/38/457398138.db2.gz QJLPVVDJUVJSLZ-JXFKEZNVSA-N 2 2 343.515 3.285 20 0 EGADLP CCc1ccc([C@@H](CC)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360896749 457419031 /nfs/dbraw/zinc/41/90/31/457419031.db2.gz IHKYXGWLEPMDMM-UXHICEINSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](CC)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360896749 457419038 /nfs/dbraw/zinc/41/90/38/457419038.db2.gz IHKYXGWLEPMDMM-UXHICEINSA-N 2 2 345.531 3.232 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000352503126 457421041 /nfs/dbraw/zinc/42/10/41/457421041.db2.gz BZFIBCKVSYEQQO-HNNXBMFYSA-N 2 2 345.468 3.242 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000352503126 457421048 /nfs/dbraw/zinc/42/10/48/457421048.db2.gz BZFIBCKVSYEQQO-HNNXBMFYSA-N 2 2 345.468 3.242 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352539712 457451110 /nfs/dbraw/zinc/45/11/10/457451110.db2.gz CAMYLQOPAHQMFU-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352539712 457451112 /nfs/dbraw/zinc/45/11/12/457451112.db2.gz CAMYLQOPAHQMFU-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]1 ZINC000342681092 457453884 /nfs/dbraw/zinc/45/38/84/457453884.db2.gz OQRLYECBWATXPF-UHFFFAOYSA-N 2 2 329.407 3.500 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)[nH+]1 ZINC000342681092 457453889 /nfs/dbraw/zinc/45/38/89/457453889.db2.gz OQRLYECBWATXPF-UHFFFAOYSA-N 2 2 329.407 3.500 20 0 EGADLP C[NH+](C)Cc1ccc(CNc2cc[nH+]cc2Br)cc1F ZINC000342698097 457461875 /nfs/dbraw/zinc/46/18/75/457461875.db2.gz DJRAWCGCFCCVAZ-UHFFFAOYSA-N 2 2 338.224 3.079 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000360975325 457482585 /nfs/dbraw/zinc/48/25/85/457482585.db2.gz NUHRPHXRLTXRJC-UHFFFAOYSA-N 2 2 337.471 3.350 20 0 EGADLP CCCCC[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364144637 457496994 /nfs/dbraw/zinc/49/69/94/457496994.db2.gz PDMNVAWINRPBPI-XLIONFOSSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCC[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364144637 457497003 /nfs/dbraw/zinc/49/70/03/457497003.db2.gz PDMNVAWINRPBPI-XLIONFOSSA-N 2 2 337.552 3.268 20 0 EGADLP COc1cc(C)[nH+]c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425349543 457511940 /nfs/dbraw/zinc/51/19/40/457511940.db2.gz KUPGLKLBPVGQIH-GHTZIAJQSA-N 2 2 337.467 3.105 20 0 EGADLP COc1cc(C)[nH+]c(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425349543 457511945 /nfs/dbraw/zinc/51/19/45/457511945.db2.gz KUPGLKLBPVGQIH-GHTZIAJQSA-N 2 2 337.467 3.105 20 0 EGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000425386516 457531101 /nfs/dbraw/zinc/53/11/01/457531101.db2.gz TXIAPHQLYNBCDL-HNAYVOBHSA-N 2 2 347.478 3.397 20 0 EGADLP Cc1ccc(CCCNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c[nH+]1 ZINC000361043500 457538822 /nfs/dbraw/zinc/53/88/22/457538822.db2.gz GVVPFSUHNQQRPF-FQEVSTJZSA-N 2 2 325.456 3.001 20 0 EGADLP Cc1ccc(CCCNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c[nH+]1 ZINC000361043500 457538828 /nfs/dbraw/zinc/53/88/28/457538828.db2.gz GVVPFSUHNQQRPF-FQEVSTJZSA-N 2 2 325.456 3.001 20 0 EGADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063619 457558279 /nfs/dbraw/zinc/55/82/79/457558279.db2.gz SZIZQYJDANKIAK-IBGZPJMESA-N 2 2 341.455 3.290 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072465 457564675 /nfs/dbraw/zinc/56/46/75/457564675.db2.gz DMXSRYJUWHIVFD-INIZCTEOSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000374284673 457568730 /nfs/dbraw/zinc/56/87/30/457568730.db2.gz QSNHICUWENUGAF-UHFFFAOYSA-N 3 2 333.520 3.216 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000374284673 457568733 /nfs/dbraw/zinc/56/87/33/457568733.db2.gz QSNHICUWENUGAF-UHFFFAOYSA-N 3 2 333.520 3.216 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166374 457571426 /nfs/dbraw/zinc/57/14/26/457571426.db2.gz CNCOVPUJFMMGNY-ROUUACIJSA-N 2 2 340.471 3.247 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166374 457571431 /nfs/dbraw/zinc/57/14/31/457571431.db2.gz CNCOVPUJFMMGNY-ROUUACIJSA-N 2 2 340.471 3.247 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)s1 ZINC000352758153 457586367 /nfs/dbraw/zinc/58/63/67/457586367.db2.gz GLUFXCOFTQMLDS-HNNXBMFYSA-N 2 2 348.491 3.102 20 0 EGADLP CC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1C ZINC000352757511 457586394 /nfs/dbraw/zinc/58/63/94/457586394.db2.gz FOQXFHQJWICHHP-OAHLLOKOSA-N 2 2 333.501 3.460 20 0 EGADLP CCCCC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330383 457621244 /nfs/dbraw/zinc/62/12/44/457621244.db2.gz SDEJWDKNQXPUFD-HKUYNNGSSA-N 2 2 337.552 3.124 20 0 EGADLP CCCCC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330383 457621248 /nfs/dbraw/zinc/62/12/48/457621248.db2.gz SDEJWDKNQXPUFD-HKUYNNGSSA-N 2 2 337.552 3.124 20 0 EGADLP c1nc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(-c2ccccc2)o1 ZINC000364493339 457623400 /nfs/dbraw/zinc/62/34/00/457623400.db2.gz MXKKQXQIGBVHQB-UHFFFAOYSA-N 2 2 348.450 3.491 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000374565258 457662707 /nfs/dbraw/zinc/66/27/07/457662707.db2.gz ZOFBADQIROKLGI-KDOFPFPSSA-N 2 2 333.439 3.179 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000374574535 457664009 /nfs/dbraw/zinc/66/40/09/457664009.db2.gz ICIJUFQQVLBMEJ-WBVHZDCISA-N 2 2 336.443 3.000 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000374577324 457664325 /nfs/dbraw/zinc/66/43/25/457664325.db2.gz RJOJLUIGWFYDRP-AEFFLSMTSA-N 2 2 343.471 3.445 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000374577341 457664656 /nfs/dbraw/zinc/66/46/56/457664656.db2.gz RLCWLZWOHINJJT-HIFRSBDPSA-N 2 2 344.434 3.215 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000357717681 457667071 /nfs/dbraw/zinc/66/70/71/457667071.db2.gz XYFGLSUYHQIWFC-FUHWJXTLSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001073 457736441 /nfs/dbraw/zinc/73/64/41/457736441.db2.gz DAFJRBWNILEEFO-OXQOHEQNSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001073 457736442 /nfs/dbraw/zinc/73/64/42/457736442.db2.gz DAFJRBWNILEEFO-OXQOHEQNSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358013307 457738965 /nfs/dbraw/zinc/73/89/65/457738965.db2.gz AHPLLBREJUXSIY-STQMWFEESA-N 2 2 327.350 3.490 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358026549 457743800 /nfs/dbraw/zinc/74/38/00/457743800.db2.gz QLTPVMDYDQXXMK-YLJYHZDGSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358026549 457743803 /nfs/dbraw/zinc/74/38/03/457743803.db2.gz QLTPVMDYDQXXMK-YLJYHZDGSA-N 2 2 331.504 3.231 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000358059753 457760043 /nfs/dbraw/zinc/76/00/43/457760043.db2.gz JCHGYKAQKPAUHC-AWEZNQCLSA-N 2 2 333.476 3.177 20 0 EGADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000426345896 457809605 /nfs/dbraw/zinc/80/96/05/457809605.db2.gz FWXVAWDQODEIFK-UHFFFAOYSA-N 2 2 328.460 3.085 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361693475 457825804 /nfs/dbraw/zinc/82/58/04/457825804.db2.gz SXEZISNZVQBYCC-GOSISDBHSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361693475 457825807 /nfs/dbraw/zinc/82/58/07/457825807.db2.gz SXEZISNZVQBYCC-GOSISDBHSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000361693475 457825808 /nfs/dbraw/zinc/82/58/08/457825808.db2.gz SXEZISNZVQBYCC-GOSISDBHSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000361693475 457825812 /nfs/dbraw/zinc/82/58/12/457825812.db2.gz SXEZISNZVQBYCC-GOSISDBHSA-N 2 2 335.923 3.332 20 0 EGADLP O=C(NCc1cn2ccccc2[nH+]1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411204821 457829694 /nfs/dbraw/zinc/82/96/94/457829694.db2.gz COYSRXJLKCQHMO-UHFFFAOYSA-N 2 2 348.450 3.250 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877345 457924308 /nfs/dbraw/zinc/92/43/08/457924308.db2.gz MSYVTENODOXXCJ-OXJNMPFZSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877345 457924314 /nfs/dbraw/zinc/92/43/14/457924314.db2.gz MSYVTENODOXXCJ-OXJNMPFZSA-N 2 2 328.431 3.113 20 0 EGADLP CC(C)(C[NH2+][C@@H]1CCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000367079684 457926797 /nfs/dbraw/zinc/92/67/97/457926797.db2.gz HOBNCMURNSGTRK-LJQANCHMSA-N 2 2 328.500 3.372 20 0 EGADLP CC(C)(C[NH2+][C@@H]1CCC12CCOCC2)[N@H+]1CCc2ccccc2C1 ZINC000367079684 457926803 /nfs/dbraw/zinc/92/68/03/457926803.db2.gz HOBNCMURNSGTRK-LJQANCHMSA-N 2 2 328.500 3.372 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C1CC1 ZINC000367090657 457927144 /nfs/dbraw/zinc/92/71/44/457927144.db2.gz BKTWUZIDCLAXMO-PMACEKPBSA-N 2 2 328.500 3.446 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C1CC1 ZINC000367090657 457927152 /nfs/dbraw/zinc/92/71/52/457927152.db2.gz BKTWUZIDCLAXMO-PMACEKPBSA-N 2 2 328.500 3.446 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCC(C)C ZINC000427124564 457947563 /nfs/dbraw/zinc/94/75/63/457947563.db2.gz SVDTYMAYJUWSRT-MSOLQXFVSA-N 2 2 332.488 3.304 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCC(C)C ZINC000427124564 457947565 /nfs/dbraw/zinc/94/75/65/457947565.db2.gz SVDTYMAYJUWSRT-MSOLQXFVSA-N 2 2 332.488 3.304 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468517 457947638 /nfs/dbraw/zinc/94/76/38/457947638.db2.gz AUKMTLYUOSNHQN-NXHRZFHOSA-N 2 2 349.544 3.484 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468517 457947641 /nfs/dbraw/zinc/94/76/41/457947641.db2.gz AUKMTLYUOSNHQN-NXHRZFHOSA-N 2 2 349.544 3.484 20 0 EGADLP C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358354983 457954309 /nfs/dbraw/zinc/95/43/09/457954309.db2.gz QUCMWTIBMDKUOD-CQSZACIVSA-N 2 2 326.375 3.136 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358412034 457986837 /nfs/dbraw/zinc/98/68/37/457986837.db2.gz ZOVCIJKBSUWXKY-AAEUAGOBSA-N 2 2 327.266 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358412034 457986840 /nfs/dbraw/zinc/98/68/40/457986840.db2.gz ZOVCIJKBSUWXKY-AAEUAGOBSA-N 2 2 327.266 3.030 20 0 EGADLP CCc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000375656155 458007180 /nfs/dbraw/zinc/00/71/80/458007180.db2.gz GGINVRPMXDNLIK-IBGZPJMESA-N 2 2 336.439 3.470 20 0 EGADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358470251 458022893 /nfs/dbraw/zinc/02/28/93/458022893.db2.gz PUZIAGSFSFKGFP-STQMWFEESA-N 2 2 334.851 3.335 20 0 EGADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358470251 458022902 /nfs/dbraw/zinc/02/29/02/458022902.db2.gz PUZIAGSFSFKGFP-STQMWFEESA-N 2 2 334.851 3.335 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000427870408 458046946 /nfs/dbraw/zinc/04/69/46/458046946.db2.gz YDTQISDGNGSEHM-AAEUAGOBSA-N 2 2 329.835 3.089 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031592 458069995 /nfs/dbraw/zinc/06/99/95/458069995.db2.gz LSLLMNSRPOCTFN-POAQFYNOSA-N 2 2 349.478 3.364 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031592 458070007 /nfs/dbraw/zinc/07/00/07/458070007.db2.gz LSLLMNSRPOCTFN-POAQFYNOSA-N 2 2 349.478 3.364 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000445819992 458094610 /nfs/dbraw/zinc/09/46/10/458094610.db2.gz DUILIFWDNRBYHU-IBGZPJMESA-N 2 2 349.482 3.120 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000445819992 458094618 /nfs/dbraw/zinc/09/46/18/458094618.db2.gz DUILIFWDNRBYHU-IBGZPJMESA-N 2 2 349.482 3.120 20 0 EGADLP CCC[N@H+](C)CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000358606990 458105556 /nfs/dbraw/zinc/10/55/56/458105556.db2.gz DKSAVGIKVGXGLN-UHFFFAOYSA-N 2 2 328.460 3.335 20 0 EGADLP CCC[N@@H+](C)CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000358606990 458105564 /nfs/dbraw/zinc/10/55/64/458105564.db2.gz DKSAVGIKVGXGLN-UHFFFAOYSA-N 2 2 328.460 3.335 20 0 EGADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C2CC2)CC1 ZINC000371877960 458107596 /nfs/dbraw/zinc/10/75/96/458107596.db2.gz CJFMTNLQHGAPAB-CGZBRXJRSA-N 2 2 344.503 3.159 20 0 EGADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C2CC2)CC1 ZINC000371877960 458107599 /nfs/dbraw/zinc/10/75/99/458107599.db2.gz CJFMTNLQHGAPAB-CGZBRXJRSA-N 2 2 344.503 3.159 20 0 EGADLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000435384410 458131880 /nfs/dbraw/zinc/13/18/80/458131880.db2.gz MQWKAZMJEIWPLB-OAHLLOKOSA-N 2 2 344.455 3.062 20 0 EGADLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])cc(OC)c1OCc1ccccc1 ZINC000435384410 458131884 /nfs/dbraw/zinc/13/18/84/458131884.db2.gz MQWKAZMJEIWPLB-OAHLLOKOSA-N 2 2 344.455 3.062 20 0 EGADLP Cc1ccc(F)cc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428434745 458140584 /nfs/dbraw/zinc/14/05/84/458140584.db2.gz AZUULKKEDLKENM-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)cc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428434745 458140588 /nfs/dbraw/zinc/14/05/88/458140588.db2.gz AZUULKKEDLKENM-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)cc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428434745 458140593 /nfs/dbraw/zinc/14/05/93/458140593.db2.gz AZUULKKEDLKENM-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)cc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428434745 458140602 /nfs/dbraw/zinc/14/06/02/458140602.db2.gz AZUULKKEDLKENM-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000435423174 458142898 /nfs/dbraw/zinc/14/28/98/458142898.db2.gz PAMKMCIPRCVHCY-KRWDZBQOSA-N 2 2 344.528 3.243 20 0 EGADLP Cc1cc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c(C)s1 ZINC000435423174 458142905 /nfs/dbraw/zinc/14/29/05/458142905.db2.gz PAMKMCIPRCVHCY-KRWDZBQOSA-N 2 2 344.528 3.243 20 0 EGADLP CC(C)n1cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434429 458146839 /nfs/dbraw/zinc/14/68/39/458146839.db2.gz YBCQZRNJVRYMEN-INIZCTEOSA-N 2 2 345.516 3.065 20 0 EGADLP CC(C)n1cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434429 458146845 /nfs/dbraw/zinc/14/68/45/458146845.db2.gz YBCQZRNJVRYMEN-INIZCTEOSA-N 2 2 345.516 3.065 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066219 458181782 /nfs/dbraw/zinc/18/17/82/458181782.db2.gz XLNWHJPYBVGDGF-ZLGUVYLKSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066219 458181790 /nfs/dbraw/zinc/18/17/90/458181790.db2.gz XLNWHJPYBVGDGF-ZLGUVYLKSA-N 2 2 337.467 3.262 20 0 EGADLP Cc1noc(C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccccc2)n1 ZINC000428646110 458182432 /nfs/dbraw/zinc/18/24/32/458182432.db2.gz DTJRBMGGRWMDHB-KRWDZBQOSA-N 2 2 333.395 3.099 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([S@](C)=O)cc2)CC1 ZINC000447093980 458265544 /nfs/dbraw/zinc/26/55/44/458265544.db2.gz OAEJPBGFXNTSMB-DEOSSOPVSA-N 2 2 344.480 3.171 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000436271273 458280005 /nfs/dbraw/zinc/28/00/05/458280005.db2.gz DALYUBLCSUQHDZ-HXUWFJFHSA-N 2 2 339.483 3.263 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000436271273 458280010 /nfs/dbraw/zinc/28/00/10/458280010.db2.gz DALYUBLCSUQHDZ-HXUWFJFHSA-N 2 2 339.483 3.263 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538110 458308524 /nfs/dbraw/zinc/30/85/24/458308524.db2.gz ASUCDLQMMRGMMW-JXFKEZNVSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538110 458308529 /nfs/dbraw/zinc/30/85/29/458308529.db2.gz ASUCDLQMMRGMMW-JXFKEZNVSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000459358665 458342520 /nfs/dbraw/zinc/34/25/20/458342520.db2.gz NBCOYFPTFPIHEZ-JEBQAFNWSA-N 2 2 340.870 3.471 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000459358665 458342524 /nfs/dbraw/zinc/34/25/24/458342524.db2.gz NBCOYFPTFPIHEZ-JEBQAFNWSA-N 2 2 340.870 3.471 20 0 EGADLP CSCC[C@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687685 458358340 /nfs/dbraw/zinc/35/83/40/458358340.db2.gz ADBFFBQHLRERKN-HKUYNNGSSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687685 458358345 /nfs/dbraw/zinc/35/83/45/458358345.db2.gz ADBFFBQHLRERKN-HKUYNNGSSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429687685 458358347 /nfs/dbraw/zinc/35/83/47/458358347.db2.gz ADBFFBQHLRERKN-HKUYNNGSSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429687685 458358353 /nfs/dbraw/zinc/35/83/53/458358353.db2.gz ADBFFBQHLRERKN-HKUYNNGSSA-N 2 2 336.545 3.351 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000459424849 458367498 /nfs/dbraw/zinc/36/74/98/458367498.db2.gz JWKHQTDRGRLCDN-CYBMUJFWSA-N 2 2 341.293 3.365 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000459424849 458367502 /nfs/dbraw/zinc/36/75/02/458367502.db2.gz JWKHQTDRGRLCDN-CYBMUJFWSA-N 2 2 341.293 3.365 20 0 EGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430130682 458407114 /nfs/dbraw/zinc/40/71/14/458407114.db2.gz WWWSLMOBBOLKSB-CQSZACIVSA-N 2 2 348.491 3.055 20 0 EGADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430130682 458407120 /nfs/dbraw/zinc/40/71/20/458407120.db2.gz WWWSLMOBBOLKSB-CQSZACIVSA-N 2 2 348.491 3.055 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559930 458411307 /nfs/dbraw/zinc/41/13/07/458411307.db2.gz ISNCHELZCSMRJO-RTWAWAEBSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559930 458411308 /nfs/dbraw/zinc/41/13/08/458411308.db2.gz ISNCHELZCSMRJO-RTWAWAEBSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559930 458411311 /nfs/dbraw/zinc/41/13/11/458411311.db2.gz ISNCHELZCSMRJO-RTWAWAEBSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559930 458411313 /nfs/dbraw/zinc/41/13/13/458411313.db2.gz ISNCHELZCSMRJO-RTWAWAEBSA-N 2 2 348.494 3.308 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423437880 458433790 /nfs/dbraw/zinc/43/37/90/458433790.db2.gz ULKMRECKLKXKCH-XJKSGUPXSA-N 2 2 346.393 3.047 20 0 EGADLP CCC[NH2+]CCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000423469793 458437537 /nfs/dbraw/zinc/43/75/37/458437537.db2.gz VVPATYHDVJEXII-UHFFFAOYSA-N 2 2 342.487 3.200 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423497107 458443143 /nfs/dbraw/zinc/44/31/43/458443143.db2.gz GBPJGNKHYYZWDM-FOIQADDNSA-N 2 2 339.483 3.301 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000423503546 458444949 /nfs/dbraw/zinc/44/49/49/458444949.db2.gz MTHOOOJSKDSTIT-JXFKEZNVSA-N 2 2 339.483 3.280 20 0 EGADLP Fc1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2cccc(Cl)c2)c1 ZINC000423556229 458457363 /nfs/dbraw/zinc/45/73/63/458457363.db2.gz HYPWQGDWNARJGT-ROUUACIJSA-N 2 2 334.822 3.147 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1Cl ZINC000423577419 458457742 /nfs/dbraw/zinc/45/77/42/458457742.db2.gz SDXONDPQLZMMRS-SMDDNHRTSA-N 2 2 347.684 3.132 20 0 EGADLP CC[C@H](C)[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000423580635 458459726 /nfs/dbraw/zinc/45/97/26/458459726.db2.gz SSOAVGZXIUPMLJ-GVDBMIGSSA-N 2 2 346.519 3.056 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000430548072 458459728 /nfs/dbraw/zinc/45/97/28/458459728.db2.gz BCOYMPAXDSDUAC-HXUWFJFHSA-N 2 2 331.504 3.315 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](C)[C@@H]3C[NH3+])n2)cc1F ZINC000430574661 458463359 /nfs/dbraw/zinc/46/33/59/458463359.db2.gz JCJFNOBLGCVIOI-YOEHRIQHSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H](C)[C@@H]3C[NH3+])n2)cc1F ZINC000430574661 458463365 /nfs/dbraw/zinc/46/33/65/458463365.db2.gz JCJFNOBLGCVIOI-YOEHRIQHSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573939 458463878 /nfs/dbraw/zinc/46/38/78/458463878.db2.gz RQXAAZVRBUVVQI-KKUMJFAQSA-N 2 2 337.895 3.343 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573939 458463883 /nfs/dbraw/zinc/46/38/83/458463883.db2.gz RQXAAZVRBUVVQI-KKUMJFAQSA-N 2 2 337.895 3.343 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000430585449 458466258 /nfs/dbraw/zinc/46/62/58/458466258.db2.gz SKDJNPYLEKBEOK-AVGNSLFASA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000430585449 458466263 /nfs/dbraw/zinc/46/62/63/458466263.db2.gz SKDJNPYLEKBEOK-AVGNSLFASA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000430591346 458467911 /nfs/dbraw/zinc/46/79/11/458467911.db2.gz FDJANUGFRQIEAH-RWMBFGLXSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000430591346 458467913 /nfs/dbraw/zinc/46/79/13/458467913.db2.gz FDJANUGFRQIEAH-RWMBFGLXSA-N 2 2 343.393 3.092 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000430603529 458470462 /nfs/dbraw/zinc/47/04/62/458470462.db2.gz NWNIHXXWSLENNI-SFHVURJKSA-N 2 2 349.494 3.103 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000430603529 458470465 /nfs/dbraw/zinc/47/04/65/458470465.db2.gz NWNIHXXWSLENNI-SFHVURJKSA-N 2 2 349.494 3.103 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633423 458472743 /nfs/dbraw/zinc/47/27/43/458472743.db2.gz PMTAZAVUFMLNBK-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633423 458472749 /nfs/dbraw/zinc/47/27/49/458472749.db2.gz PMTAZAVUFMLNBK-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC([NH3+])CC1 ZINC000430670007 458477447 /nfs/dbraw/zinc/47/74/47/458477447.db2.gz VDBZFLGBOQBVSK-SECBINFHSA-N 2 2 349.784 3.109 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373388141 458478690 /nfs/dbraw/zinc/47/86/90/458478690.db2.gz NCUAPCYDYMMWMA-NWDGAFQWSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373388141 458478693 /nfs/dbraw/zinc/47/86/93/458478693.db2.gz NCUAPCYDYMMWMA-NWDGAFQWSA-N 2 2 327.241 3.305 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)[C@H](C)[NH3+] ZINC000423810402 458488570 /nfs/dbraw/zinc/48/85/70/458488570.db2.gz MDAPMRMAVXXHSC-BLLLJJGKSA-N 2 2 330.476 3.429 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc2[nH+]c1C1CC1 ZINC000423813013 458489654 /nfs/dbraw/zinc/48/96/54/458489654.db2.gz PVHFKCLLVWBPQF-HIFRSBDPSA-N 2 2 326.444 3.297 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000423818283 458490295 /nfs/dbraw/zinc/49/02/95/458490295.db2.gz ZRADEEDGJFSTBD-MRXNPFEDSA-N 2 2 334.423 3.479 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c[nH+]1 ZINC000430882806 458500841 /nfs/dbraw/zinc/50/08/41/458500841.db2.gz NAYSMTGLLMKOPH-IBGZPJMESA-N 2 2 337.467 3.308 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c[nH+]1 ZINC000430882806 458500844 /nfs/dbraw/zinc/50/08/44/458500844.db2.gz NAYSMTGLLMKOPH-IBGZPJMESA-N 2 2 337.467 3.308 20 0 EGADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430919659 458504944 /nfs/dbraw/zinc/50/49/44/458504944.db2.gz RIMGZESHYBSRGL-JKSUJKDBSA-N 2 2 339.483 3.089 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430920035 458505120 /nfs/dbraw/zinc/50/51/20/458505120.db2.gz NFNQFNIVNXIJQX-BEFAXECRSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430920035 458505125 /nfs/dbraw/zinc/50/51/25/458505125.db2.gz NFNQFNIVNXIJQX-BEFAXECRSA-N 2 2 339.439 3.087 20 0 EGADLP CCCC[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377699953 458511736 /nfs/dbraw/zinc/51/17/36/458511736.db2.gz NELUMNZSGVIZOE-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP CCCC[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377699953 458511739 /nfs/dbraw/zinc/51/17/39/458511739.db2.gz NELUMNZSGVIZOE-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP CCCC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)[nH+]c(CC)n2C1CC1 ZINC000423932024 458515207 /nfs/dbraw/zinc/51/52/07/458515207.db2.gz NHBABOFUVVYXKS-OAHLLOKOSA-N 2 2 328.460 3.067 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@]3(C)CCCC[NH2+]3)ccc2n1C1CC1 ZINC000423933600 458515293 /nfs/dbraw/zinc/51/52/93/458515293.db2.gz SFTILFRIPMVOQK-FQEVSTJZSA-N 2 2 340.471 3.082 20 0 EGADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000460489373 458521069 /nfs/dbraw/zinc/52/10/69/458521069.db2.gz JRCKKSDVJOFTLF-QGZVFWFLSA-N 2 2 337.552 3.125 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)n1 ZINC000431085384 458526006 /nfs/dbraw/zinc/52/60/06/458526006.db2.gz QIBWURZBLQWCOL-LJQANCHMSA-N 2 2 348.450 3.411 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)n1 ZINC000431085384 458526008 /nfs/dbraw/zinc/52/60/08/458526008.db2.gz QIBWURZBLQWCOL-LJQANCHMSA-N 2 2 348.450 3.411 20 0 EGADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000373597223 458546385 /nfs/dbraw/zinc/54/63/85/458546385.db2.gz UGWUMXKQNIAQRU-OAHLLOKOSA-N 2 2 342.487 3.286 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OC)C1 ZINC000469223093 458560820 /nfs/dbraw/zinc/56/08/20/458560820.db2.gz YOMIBKMRIVOERG-YWPYICTPSA-N 2 2 341.293 3.449 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OC)C1 ZINC000469223093 458560822 /nfs/dbraw/zinc/56/08/22/458560822.db2.gz YOMIBKMRIVOERG-YWPYICTPSA-N 2 2 341.293 3.449 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000438553510 458597142 /nfs/dbraw/zinc/59/71/42/458597142.db2.gz PBEQSXPVBHRGAE-HXUWFJFHSA-N 2 2 337.467 3.004 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000438553510 458597149 /nfs/dbraw/zinc/59/71/49/458597149.db2.gz PBEQSXPVBHRGAE-HXUWFJFHSA-N 2 2 337.467 3.004 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000424289104 458605703 /nfs/dbraw/zinc/60/57/03/458605703.db2.gz BHCZGSAROGWRNR-VCTAVGKDSA-N 2 2 344.286 3.030 20 0 EGADLP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000424321921 458614476 /nfs/dbraw/zinc/61/44/76/458614476.db2.gz JKLDMEPDYSJUTN-UHFFFAOYSA-N 2 2 347.503 3.398 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)cc1Cl ZINC000424334276 458619712 /nfs/dbraw/zinc/61/97/12/458619712.db2.gz NRYIWNAODRCAPL-MRCXROJRSA-N 2 2 330.259 3.180 20 0 EGADLP C[NH+](C)[C@H](c1nc(C2([NH3+])CCCCC2)no1)c1cccc(Cl)c1 ZINC000424344100 458621825 /nfs/dbraw/zinc/62/18/25/458621825.db2.gz KUBJSVPDZCBJEO-AWEZNQCLSA-N 2 2 334.851 3.492 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000502282392 458643287 /nfs/dbraw/zinc/64/32/87/458643287.db2.gz ZEDDKSRVRXSTTK-SJORKVTESA-N 2 2 334.504 3.407 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000502282392 458643293 /nfs/dbraw/zinc/64/32/93/458643293.db2.gz ZEDDKSRVRXSTTK-SJORKVTESA-N 2 2 334.504 3.407 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC34CCC4)CC2)c1 ZINC000502696909 458665377 /nfs/dbraw/zinc/66/53/77/458665377.db2.gz MNUWAAVHKOHASW-HXUWFJFHSA-N 2 2 327.516 3.429 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546722736 458665989 /nfs/dbraw/zinc/66/59/89/458665989.db2.gz UUPBJYMEXBPQOM-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546722736 458665993 /nfs/dbraw/zinc/66/59/93/458665993.db2.gz UUPBJYMEXBPQOM-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000494610611 458710599 /nfs/dbraw/zinc/71/05/99/458710599.db2.gz BVZSLWGJVOMYBM-LJQANCHMSA-N 2 2 331.435 3.020 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000494610611 458710605 /nfs/dbraw/zinc/71/06/05/458710605.db2.gz BVZSLWGJVOMYBM-LJQANCHMSA-N 2 2 331.435 3.020 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000547654650 458769758 /nfs/dbraw/zinc/76/97/58/458769758.db2.gz VGLXEYUZKCTXNY-HIFRSBDPSA-N 2 2 346.862 3.167 20 0 EGADLP c1coc(-c2ncc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)s2)c1 ZINC000494950285 458770949 /nfs/dbraw/zinc/77/09/49/458770949.db2.gz FRERMGOXMVOEEW-AWEZNQCLSA-N 2 2 327.409 3.451 20 0 EGADLP c1coc(-c2ncc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)s2)c1 ZINC000494950285 458770953 /nfs/dbraw/zinc/77/09/53/458770953.db2.gz FRERMGOXMVOEEW-AWEZNQCLSA-N 2 2 327.409 3.451 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000495312279 458832093 /nfs/dbraw/zinc/83/20/93/458832093.db2.gz LYRUGFGSAQCYMO-UHFFFAOYSA-N 2 2 339.524 3.240 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000474275652 458874006 /nfs/dbraw/zinc/87/40/06/458874006.db2.gz VNFPNRUFTNHKAX-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000474275652 458874013 /nfs/dbraw/zinc/87/40/13/458874013.db2.gz VNFPNRUFTNHKAX-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000474275652 458874019 /nfs/dbraw/zinc/87/40/19/458874019.db2.gz VNFPNRUFTNHKAX-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000474275652 458874027 /nfs/dbraw/zinc/87/40/27/458874027.db2.gz VNFPNRUFTNHKAX-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000531143415 458878825 /nfs/dbraw/zinc/87/88/25/458878825.db2.gz MFBSMFSIXYAGAJ-FUHIMQAGSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000531143415 458878829 /nfs/dbraw/zinc/87/88/29/458878829.db2.gz MFBSMFSIXYAGAJ-FUHIMQAGSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000531143415 458878831 /nfs/dbraw/zinc/87/88/31/458878831.db2.gz MFBSMFSIXYAGAJ-FUHIMQAGSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000531143415 458878834 /nfs/dbraw/zinc/87/88/34/458878834.db2.gz MFBSMFSIXYAGAJ-FUHIMQAGSA-N 2 2 345.531 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000441198130 458898439 /nfs/dbraw/zinc/89/84/39/458898439.db2.gz AYJLSYBFXUULOA-UTKZUKDTSA-N 2 2 349.478 3.033 20 0 EGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000474803808 458902565 /nfs/dbraw/zinc/90/25/65/458902565.db2.gz HPIJGYBBIAPVBJ-RBUKOAKNSA-N 2 2 338.536 3.064 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](C)c3ccccc3)c2cc1C ZINC000556090201 458926982 /nfs/dbraw/zinc/92/69/82/458926982.db2.gz JQCGCYBCCOESFV-IEBWSBKVSA-N 2 2 337.467 3.407 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000475491292 458947072 /nfs/dbraw/zinc/94/70/72/458947072.db2.gz HKMXATSFJFZXOQ-HNNXBMFYSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000475491292 458947077 /nfs/dbraw/zinc/94/70/77/458947077.db2.gz HKMXATSFJFZXOQ-HNNXBMFYSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2csc(CCc3ccccc3)n2)n1C ZINC000566498477 458950280 /nfs/dbraw/zinc/95/02/80/458950280.db2.gz CGZLTBIDYXXBGT-UHFFFAOYSA-N 2 2 326.469 3.260 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441473807 458951460 /nfs/dbraw/zinc/95/14/60/458951460.db2.gz PBDARSIMKCVZGN-LJQANCHMSA-N 2 2 337.552 3.223 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441473807 458951464 /nfs/dbraw/zinc/95/14/64/458951464.db2.gz PBDARSIMKCVZGN-LJQANCHMSA-N 2 2 337.552 3.223 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000577228534 459001539 /nfs/dbraw/zinc/00/15/39/459001539.db2.gz AXNCRTYMOAGVGH-CABCVRRESA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000577228534 459001543 /nfs/dbraw/zinc/00/15/43/459001543.db2.gz AXNCRTYMOAGVGH-CABCVRRESA-N 2 2 337.427 3.329 20 0 EGADLP O[C@@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC1CCCC1 ZINC000577386344 459026903 /nfs/dbraw/zinc/02/69/03/459026903.db2.gz UJKKAZXNUZZBMY-LJQANCHMSA-N 2 2 327.472 3.005 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833794 459044692 /nfs/dbraw/zinc/04/46/92/459044692.db2.gz IKVSHDBNFXFHRE-RDJZCZTQSA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833794 459044698 /nfs/dbraw/zinc/04/46/98/459044698.db2.gz IKVSHDBNFXFHRE-RDJZCZTQSA-N 2 2 344.421 3.245 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000478347689 459086012 /nfs/dbraw/zinc/08/60/12/459086012.db2.gz WGRUNTLVBDRPKP-LJQANCHMSA-N 2 2 340.515 3.413 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000478347689 459086017 /nfs/dbraw/zinc/08/60/17/459086017.db2.gz WGRUNTLVBDRPKP-LJQANCHMSA-N 2 2 340.515 3.413 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000567337474 459087911 /nfs/dbraw/zinc/08/79/11/459087911.db2.gz XXLFTPOFSBOTSO-XKQJLSEDSA-N 2 2 341.459 3.012 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)O[C@@H](C)C2 ZINC000532454886 459092067 /nfs/dbraw/zinc/09/20/67/459092067.db2.gz SSWCVMJMJXIBKR-RVKKMQEKSA-N 2 2 332.488 3.229 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)O[C@@H](C)C2 ZINC000532454886 459092071 /nfs/dbraw/zinc/09/20/71/459092071.db2.gz SSWCVMJMJXIBKR-RVKKMQEKSA-N 2 2 332.488 3.229 20 0 EGADLP CCc1noc(C2CCC([NH2+]CC[N@@H+]3CCCC(C)(C)C3)CC2)n1 ZINC000521346378 459142311 /nfs/dbraw/zinc/14/23/11/459142311.db2.gz QILLHVADJGHBEE-UHFFFAOYSA-N 2 2 334.508 3.370 20 0 EGADLP CCc1noc(C2CCC([NH2+]CC[N@H+]3CCCC(C)(C)C3)CC2)n1 ZINC000521346378 459142317 /nfs/dbraw/zinc/14/23/17/459142317.db2.gz QILLHVADJGHBEE-UHFFFAOYSA-N 2 2 334.508 3.370 20 0 EGADLP Oc1cccnc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000558402132 459153876 /nfs/dbraw/zinc/15/38/76/459153876.db2.gz ZIVHWWWYXRGNES-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cccnc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000558402132 459153881 /nfs/dbraw/zinc/15/38/81/459153881.db2.gz ZIVHWWWYXRGNES-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000558402132 459153885 /nfs/dbraw/zinc/15/38/85/459153885.db2.gz ZIVHWWWYXRGNES-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000558402132 459153893 /nfs/dbraw/zinc/15/38/93/459153893.db2.gz ZIVHWWWYXRGNES-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)SC1CCCCC1 ZINC000590599361 459157156 /nfs/dbraw/zinc/15/71/56/459157156.db2.gz BJVXRPKLHSIPIF-QGZVFWFLSA-N 2 2 326.550 3.239 20 0 EGADLP C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)SC1CCCCC1 ZINC000590599361 459157163 /nfs/dbraw/zinc/15/71/63/459157163.db2.gz BJVXRPKLHSIPIF-QGZVFWFLSA-N 2 2 326.550 3.239 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008554 459177828 /nfs/dbraw/zinc/17/78/28/459177828.db2.gz AVDNXNJYUNKVNR-DZGCQCFKSA-N 2 2 328.859 3.487 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000590798688 459224442 /nfs/dbraw/zinc/22/44/42/459224442.db2.gz RLERQMYYRFFJRW-UHFFFAOYSA-N 2 2 338.455 3.183 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000591083503 459310355 /nfs/dbraw/zinc/31/03/55/459310355.db2.gz WVJUOOSAEWAVFZ-OAHLLOKOSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000591083503 459310361 /nfs/dbraw/zinc/31/03/61/459310361.db2.gz WVJUOOSAEWAVFZ-OAHLLOKOSA-N 2 2 332.835 3.121 20 0 EGADLP CC[C@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCOC1 ZINC000482710103 459323171 /nfs/dbraw/zinc/32/31/71/459323171.db2.gz CZWFNRKEYASQPL-MSOLQXFVSA-N 2 2 338.536 3.205 20 0 EGADLP CC[C@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCOC1 ZINC000482710103 459323178 /nfs/dbraw/zinc/32/31/78/459323178.db2.gz CZWFNRKEYASQPL-MSOLQXFVSA-N 2 2 338.536 3.205 20 0 EGADLP COC(=O)C1([N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)CCC1 ZINC000595542558 459340841 /nfs/dbraw/zinc/34/08/41/459340841.db2.gz QPALHQSQOYDPHW-UHFFFAOYSA-N 2 2 339.439 3.241 20 0 EGADLP COC(=O)C1([N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CC2)CCC1 ZINC000595542558 459340849 /nfs/dbraw/zinc/34/08/49/459340849.db2.gz QPALHQSQOYDPHW-UHFFFAOYSA-N 2 2 339.439 3.241 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000560558151 459373257 /nfs/dbraw/zinc/37/32/57/459373257.db2.gz OHNCKSXCYYMQSN-MCUYSKAESA-N 2 2 328.500 3.410 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000560558151 459373262 /nfs/dbraw/zinc/37/32/62/459373262.db2.gz OHNCKSXCYYMQSN-MCUYSKAESA-N 2 2 328.500 3.410 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000560575290 459375431 /nfs/dbraw/zinc/37/54/31/459375431.db2.gz WSRGOENBRAJWNI-PQDLGVTNSA-N 2 2 336.426 3.480 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000560575290 459375436 /nfs/dbraw/zinc/37/54/36/459375436.db2.gz WSRGOENBRAJWNI-PQDLGVTNSA-N 2 2 336.426 3.480 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000483686375 459382241 /nfs/dbraw/zinc/38/22/41/459382241.db2.gz PXWVTNRIHKDIHO-PBASOCQRSA-N 2 2 338.499 3.477 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000483686375 459382246 /nfs/dbraw/zinc/38/22/46/459382246.db2.gz PXWVTNRIHKDIHO-PBASOCQRSA-N 2 2 338.499 3.477 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000569272476 459424933 /nfs/dbraw/zinc/42/49/33/459424933.db2.gz LGZWYPYRRXWUKB-UHFFFAOYSA-N 2 2 331.504 3.292 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000569272476 459424940 /nfs/dbraw/zinc/42/49/40/459424940.db2.gz LGZWYPYRRXWUKB-UHFFFAOYSA-N 2 2 331.504 3.292 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000561395484 459449768 /nfs/dbraw/zinc/44/97/68/459449768.db2.gz GKWBEKAUBCKFQN-LSTHTHJFSA-N 2 2 344.524 3.152 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000561395484 459449773 /nfs/dbraw/zinc/44/97/73/459449773.db2.gz GKWBEKAUBCKFQN-LSTHTHJFSA-N 2 2 344.524 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591866925 459457560 /nfs/dbraw/zinc/45/75/60/459457560.db2.gz JTPLZQRYFBTMAP-ZBFHGGJFSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591866925 459457564 /nfs/dbraw/zinc/45/75/64/459457564.db2.gz JTPLZQRYFBTMAP-ZBFHGGJFSA-N 2 2 344.484 3.269 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869471 459459067 /nfs/dbraw/zinc/45/90/67/459459067.db2.gz YCAFSIWEAKQGPH-CQSZACIVSA-N 2 2 327.407 3.229 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869471 459459076 /nfs/dbraw/zinc/45/90/76/459459076.db2.gz YCAFSIWEAKQGPH-CQSZACIVSA-N 2 2 327.407 3.229 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591868347 459460033 /nfs/dbraw/zinc/46/00/33/459460033.db2.gz XHVMZGYTXQTNMQ-WMZOPIPTSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591868347 459460037 /nfs/dbraw/zinc/46/00/37/459460037.db2.gz XHVMZGYTXQTNMQ-WMZOPIPTSA-N 2 2 326.444 3.164 20 0 EGADLP CC1(C)C[C@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)C(C)(C)O1 ZINC000497167445 459468254 /nfs/dbraw/zinc/46/82/54/459468254.db2.gz YBJFHVBPCWRTCR-KRWDZBQOSA-N 2 2 338.536 3.205 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000561974298 459497578 /nfs/dbraw/zinc/49/75/78/459497578.db2.gz RMHLCMUWASPCBL-UHFFFAOYSA-N 2 2 340.393 3.275 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000561974298 459497580 /nfs/dbraw/zinc/49/75/80/459497580.db2.gz RMHLCMUWASPCBL-UHFFFAOYSA-N 2 2 340.393 3.275 20 0 EGADLP CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2CCCn1cc[nH+]c1 ZINC000497250194 459502813 /nfs/dbraw/zinc/50/28/13/459502813.db2.gz HDDQAQRYQANODW-UHFFFAOYSA-N 2 2 348.491 3.043 20 0 EGADLP CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2CCCn1cc[nH+]c1 ZINC000497250194 459502819 /nfs/dbraw/zinc/50/28/19/459502819.db2.gz HDDQAQRYQANODW-UHFFFAOYSA-N 2 2 348.491 3.043 20 0 EGADLP CC[C@@H](C)[C@@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542167985 459530937 /nfs/dbraw/zinc/53/09/37/459530937.db2.gz GIICEKROYABFLS-HUUCEWRRSA-N 2 2 330.476 3.284 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000583421649 459534242 /nfs/dbraw/zinc/53/42/42/459534242.db2.gz IBUFFPPQRDLMNN-ICSRJNTNSA-N 2 2 334.423 3.277 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H](C)CC(C)(C)C3)c2cc1C ZINC000542250095 459538661 /nfs/dbraw/zinc/53/86/61/459538661.db2.gz QDAWDYDEJCRUMK-YOEHRIQHSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H](C)CC(C)(C)C3)c2cc1C ZINC000542250095 459538667 /nfs/dbraw/zinc/53/86/67/459538667.db2.gz QDAWDYDEJCRUMK-YOEHRIQHSA-N 2 2 329.488 3.382 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000497871098 459562144 /nfs/dbraw/zinc/56/21/44/459562144.db2.gz ZCBYKIDBKMUHJL-KRWDZBQOSA-N 2 2 336.479 3.439 20 0 EGADLP c1c(CC[NH2+][C@H](c2ccccc2)c2cncnc2)[nH+]c2ccccn12 ZINC000542669116 459581008 /nfs/dbraw/zinc/58/10/08/459581008.db2.gz VDKXAIHYTAELFF-HXUWFJFHSA-N 2 2 329.407 3.046 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000542765736 459589468 /nfs/dbraw/zinc/58/94/68/459589468.db2.gz NMQUYESABXGPRU-KSZLIROESA-N 2 2 343.519 3.309 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000542765736 459589474 /nfs/dbraw/zinc/58/94/74/459589474.db2.gz NMQUYESABXGPRU-KSZLIROESA-N 2 2 343.519 3.309 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@@H+]1C1CC1 ZINC000499701875 459647624 /nfs/dbraw/zinc/64/76/24/459647624.db2.gz NSTMKCUTWYHPBI-ROUUACIJSA-N 2 2 349.563 3.015 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@H+]1C1CC1 ZINC000499701875 459647630 /nfs/dbraw/zinc/64/76/30/459647630.db2.gz NSTMKCUTWYHPBI-ROUUACIJSA-N 2 2 349.563 3.015 20 0 EGADLP CCc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000573614373 459705868 /nfs/dbraw/zinc/70/58/68/459705868.db2.gz GAXXCVDFJPGNSL-UHFFFAOYSA-N 2 2 338.499 3.208 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000584378460 459721996 /nfs/dbraw/zinc/72/19/96/459721996.db2.gz KOBAWSOWOGIIQS-VFPWRSFOSA-N 2 2 336.479 3.172 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000584378460 459721997 /nfs/dbraw/zinc/72/19/97/459721997.db2.gz KOBAWSOWOGIIQS-VFPWRSFOSA-N 2 2 336.479 3.172 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000584378458 459722038 /nfs/dbraw/zinc/72/20/38/459722038.db2.gz KOBAWSOWOGIIQS-IKRRHDPYSA-N 2 2 336.479 3.172 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000584378458 459722045 /nfs/dbraw/zinc/72/20/45/459722045.db2.gz KOBAWSOWOGIIQS-IKRRHDPYSA-N 2 2 336.479 3.172 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000584458093 459743455 /nfs/dbraw/zinc/74/34/55/459743455.db2.gz MUUHFXNWZVGUQS-IAGOWNOFSA-N 2 2 330.476 3.393 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)c2C1 ZINC000563248453 459747852 /nfs/dbraw/zinc/74/78/52/459747852.db2.gz AXJUUKHCJBIHHL-OAHLLOKOSA-N 2 2 326.444 3.445 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)c2C1 ZINC000563248453 459747857 /nfs/dbraw/zinc/74/78/57/459747857.db2.gz AXJUUKHCJBIHHL-OAHLLOKOSA-N 2 2 326.444 3.445 20 0 EGADLP C[C@H]1CN(c2ccc(CNc3[nH+]ccc4ccccc43)c[nH+]2)CCO1 ZINC000527846645 459757285 /nfs/dbraw/zinc/75/72/85/459757285.db2.gz FSBNSEYGJNTDLH-HNNXBMFYSA-N 2 2 334.423 3.467 20 0 EGADLP c1ccc2c(c1)cc[nH+]c2N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000527866364 459762636 /nfs/dbraw/zinc/76/26/36/459762636.db2.gz RUAVYCRHTRTXMH-UHFFFAOYSA-N 2 2 325.456 3.174 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519460 459828878 /nfs/dbraw/zinc/82/88/78/459828878.db2.gz KQRNUCWLEDKKDX-BEFAXECRSA-N 2 2 341.430 3.176 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519460 459828881 /nfs/dbraw/zinc/82/88/81/459828881.db2.gz KQRNUCWLEDKKDX-BEFAXECRSA-N 2 2 341.430 3.176 20 0 EGADLP CN(C(=O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000585747654 459839640 /nfs/dbraw/zinc/83/96/40/459839640.db2.gz IYSHKZNQSAHFCM-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP CN(C(=O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000585747654 459839643 /nfs/dbraw/zinc/83/96/43/459839643.db2.gz IYSHKZNQSAHFCM-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP Cc1ccc(Cc2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000545639973 459843138 /nfs/dbraw/zinc/84/31/38/459843138.db2.gz MTHLTPVAMMIJST-GOSISDBHSA-N 2 2 349.438 3.138 20 0 EGADLP Cc1ccc(Cc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000545639973 459843145 /nfs/dbraw/zinc/84/31/45/459843145.db2.gz MTHLTPVAMMIJST-GOSISDBHSA-N 2 2 349.438 3.138 20 0 EGADLP c1ccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000574628508 459843706 /nfs/dbraw/zinc/84/37/06/459843706.db2.gz SAOIFAGDTFRYDS-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000574628508 459843712 /nfs/dbraw/zinc/84/37/12/459843712.db2.gz SAOIFAGDTFRYDS-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c[nH+]1 ZINC000574769256 459869324 /nfs/dbraw/zinc/86/93/24/459869324.db2.gz UWQRKZNLXJVRID-KRWDZBQOSA-N 2 2 331.847 3.271 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000621760508 460054070 /nfs/dbraw/zinc/05/40/70/460054070.db2.gz MVOKCVSKECGFQU-IEBWSBKVSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c2ccccc21 ZINC000621760508 460054077 /nfs/dbraw/zinc/05/40/77/460054077.db2.gz MVOKCVSKECGFQU-IEBWSBKVSA-N 2 2 327.472 3.091 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589634889 460118121 /nfs/dbraw/zinc/11/81/21/460118121.db2.gz JSWQUZXENBQLKI-UHFFFAOYSA-N 2 2 333.439 3.411 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625329939 460131549 /nfs/dbraw/zinc/13/15/49/460131549.db2.gz KTHVAEUKPPWOAC-KBXCAEBGSA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(O)ccc2Cl)[C@@H](C)C1 ZINC000625329939 460131554 /nfs/dbraw/zinc/13/15/54/460131554.db2.gz KTHVAEUKPPWOAC-KBXCAEBGSA-N 2 2 340.895 3.272 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000599030295 460133756 /nfs/dbraw/zinc/13/37/56/460133756.db2.gz KFQLHPHIOZJIRG-OQUMVOOASA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599030295 460133761 /nfs/dbraw/zinc/13/37/61/460133761.db2.gz KFQLHPHIOZJIRG-OQUMVOOASA-N 2 2 344.499 3.361 20 0 EGADLP CC(C)(C)CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000625401541 460161886 /nfs/dbraw/zinc/16/18/86/460161886.db2.gz VORMRPNHBFOVAN-SFHVURJKSA-N 2 2 345.531 3.039 20 0 EGADLP CC(C)(C)CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000625401541 460161894 /nfs/dbraw/zinc/16/18/94/460161894.db2.gz VORMRPNHBFOVAN-SFHVURJKSA-N 2 2 345.531 3.039 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000576704265 460197328 /nfs/dbraw/zinc/19/73/28/460197328.db2.gz GBRGYYDIBLAHRD-FXAWDEMLSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000576704265 460197333 /nfs/dbraw/zinc/19/73/33/460197333.db2.gz GBRGYYDIBLAHRD-FXAWDEMLSA-N 2 2 337.467 3.346 20 0 EGADLP CC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063578 460359466 /nfs/dbraw/zinc/35/94/66/460359466.db2.gz ITEFSABWZIWOSS-UHFFFAOYSA-N 2 2 329.492 3.186 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000626088749 460366381 /nfs/dbraw/zinc/36/63/81/460366381.db2.gz LNXXPCHBTVDPKH-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C2CC2)cn1 ZINC000626180944 460414198 /nfs/dbraw/zinc/41/41/98/460414198.db2.gz NNXUBQSHKINIPC-FQEVSTJZSA-N 2 2 325.456 3.263 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C2CC2)cn1 ZINC000626180944 460414206 /nfs/dbraw/zinc/41/42/06/460414206.db2.gz NNXUBQSHKINIPC-FQEVSTJZSA-N 2 2 325.456 3.263 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000619822258 460450792 /nfs/dbraw/zinc/45/07/92/460450792.db2.gz MWJGUYHIOGVJNF-DBVUQKKJSA-N 2 2 342.483 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000619822258 460450796 /nfs/dbraw/zinc/45/07/96/460450796.db2.gz MWJGUYHIOGVJNF-DBVUQKKJSA-N 2 2 342.483 3.242 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000619900091 460466402 /nfs/dbraw/zinc/46/64/02/460466402.db2.gz SDBWHRCWQPSKKR-MRXNPFEDSA-N 2 2 325.412 3.088 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000619900091 460466408 /nfs/dbraw/zinc/46/64/08/460466408.db2.gz SDBWHRCWQPSKKR-MRXNPFEDSA-N 2 2 325.412 3.088 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC(C)(C)C3)CC2)c1 ZINC000634678087 460471636 /nfs/dbraw/zinc/47/16/36/460471636.db2.gz IHLBDHIZSNBUTH-LJQANCHMSA-N 2 2 345.531 3.054 20 0 EGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631627426 460479884 /nfs/dbraw/zinc/47/98/84/460479884.db2.gz AHVPPCYDXHNXNX-UHFFFAOYSA-N 2 2 338.455 3.214 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000631663584 460497747 /nfs/dbraw/zinc/49/77/47/460497747.db2.gz JPDRYYSNACKTQT-UXPWSPDFSA-N 2 2 338.499 3.229 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000631663584 460497750 /nfs/dbraw/zinc/49/77/50/460497750.db2.gz JPDRYYSNACKTQT-UXPWSPDFSA-N 2 2 338.499 3.229 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4n[nH]cc43)CC2)cc1 ZINC000623362757 460510446 /nfs/dbraw/zinc/51/04/46/460510446.db2.gz IQCYBOJVJSVKBA-UHFFFAOYSA-N 2 2 338.430 3.456 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534518 460798642 /nfs/dbraw/zinc/79/86/42/460798642.db2.gz ADDXXMALTIWEIA-HIFRSBDPSA-N 2 2 339.886 3.174 20 0 EGADLP C[C@@H]1CC[C@H](NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534518 460798648 /nfs/dbraw/zinc/79/86/48/460798648.db2.gz ADDXXMALTIWEIA-HIFRSBDPSA-N 2 2 339.886 3.174 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000629548800 460804128 /nfs/dbraw/zinc/80/41/28/460804128.db2.gz YOLPVPHLJIHIJF-IVMMDQJWSA-N 2 2 325.859 3.178 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606658 460826446 /nfs/dbraw/zinc/82/64/46/460826446.db2.gz KWHLXFZFPIMQJA-KDOFPFPSSA-N 2 2 347.890 3.243 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606658 460826450 /nfs/dbraw/zinc/82/64/50/460826450.db2.gz KWHLXFZFPIMQJA-KDOFPFPSSA-N 2 2 347.890 3.243 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078156 460848406 /nfs/dbraw/zinc/84/84/06/460848406.db2.gz UPEFDIKLILOZER-UYAOXDASSA-N 2 2 341.499 3.481 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c2ccccc21 ZINC000624078156 460848410 /nfs/dbraw/zinc/84/84/10/460848410.db2.gz UPEFDIKLILOZER-UYAOXDASSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000629700907 460874203 /nfs/dbraw/zinc/87/42/03/460874203.db2.gz PBVUQPXBURDVIZ-KRWDZBQOSA-N 2 2 339.483 3.339 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000629700907 460874208 /nfs/dbraw/zinc/87/42/08/460874208.db2.gz PBVUQPXBURDVIZ-KRWDZBQOSA-N 2 2 339.483 3.339 20 0 EGADLP C[NH2+]Cc1cccc(-c2ccc(OCC[NH+]3CCOCC3)c(C)c2)c1 ZINC000629701597 460875975 /nfs/dbraw/zinc/87/59/75/460875975.db2.gz AJLHFQVDZKMQHB-UHFFFAOYSA-N 2 2 340.467 3.092 20 0 EGADLP c1cn(CCCNc2ccc(-c3ccc4c(c3)CCCO4)c[nH+]2)c[nH+]1 ZINC000629733108 460894708 /nfs/dbraw/zinc/89/47/08/460894708.db2.gz WPSFLDSIQJBJLL-UHFFFAOYSA-N 2 2 334.423 3.194 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290024 460946168 /nfs/dbraw/zinc/94/61/68/460946168.db2.gz UOQLMTMXUCKSBD-NVGVWMPQSA-N 2 2 343.298 3.489 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000628149399 461018776 /nfs/dbraw/zinc/01/87/76/461018776.db2.gz YBOXPYTYXFHPTB-UHFFFAOYSA-N 2 2 325.447 3.337 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000628149399 461018778 /nfs/dbraw/zinc/01/87/78/461018778.db2.gz YBOXPYTYXFHPTB-UHFFFAOYSA-N 2 2 325.447 3.337 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185814 461037369 /nfs/dbraw/zinc/03/73/69/461037369.db2.gz NGDSXMRHWXMIAC-CQSZACIVSA-N 2 2 325.447 3.195 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185814 461037377 /nfs/dbraw/zinc/03/73/77/461037377.db2.gz NGDSXMRHWXMIAC-CQSZACIVSA-N 2 2 325.447 3.195 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185814 461037384 /nfs/dbraw/zinc/03/73/84/461037384.db2.gz NGDSXMRHWXMIAC-CQSZACIVSA-N 2 2 325.447 3.195 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185814 461037389 /nfs/dbraw/zinc/03/73/89/461037389.db2.gz NGDSXMRHWXMIAC-CQSZACIVSA-N 2 2 325.447 3.195 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000608495385 461074968 /nfs/dbraw/zinc/07/49/68/461074968.db2.gz QUHHWBPVYFICER-OAHLLOKOSA-N 2 2 332.473 3.145 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000608495385 461074972 /nfs/dbraw/zinc/07/49/72/461074972.db2.gz QUHHWBPVYFICER-OAHLLOKOSA-N 2 2 332.473 3.145 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577972 461085777 /nfs/dbraw/zinc/08/57/77/461085777.db2.gz GLECIWLUFAPKAD-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577972 461085778 /nfs/dbraw/zinc/08/57/78/461085778.db2.gz GLECIWLUFAPKAD-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577972 461085779 /nfs/dbraw/zinc/08/57/79/461085779.db2.gz GLECIWLUFAPKAD-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000608577972 461085781 /nfs/dbraw/zinc/08/57/81/461085781.db2.gz GLECIWLUFAPKAD-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)cc2[nH+]1 ZINC000668156708 461142188 /nfs/dbraw/zinc/14/21/88/461142188.db2.gz ZEMKFAPCFFYPEA-UHFFFAOYSA-N 2 2 331.464 3.273 20 0 EGADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353775 461148262 /nfs/dbraw/zinc/14/82/62/461148262.db2.gz CQRVGDLRHSOPJJ-YOEHRIQHSA-N 2 2 344.459 3.085 20 0 EGADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353775 461148267 /nfs/dbraw/zinc/14/82/67/461148267.db2.gz CQRVGDLRHSOPJJ-YOEHRIQHSA-N 2 2 344.459 3.085 20 0 EGADLP Brc1scnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273500 461160162 /nfs/dbraw/zinc/16/01/62/461160162.db2.gz NTQOMKCEHZBKGR-NEPJUHHUSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1scnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273500 461160174 /nfs/dbraw/zinc/16/01/74/461160174.db2.gz NTQOMKCEHZBKGR-NEPJUHHUSA-N 2 2 344.322 3.117 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633630408 461166402 /nfs/dbraw/zinc/16/64/02/461166402.db2.gz LDTUVSXNQQIWDB-QGZVFWFLSA-N 2 2 338.455 3.214 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633630408 461166408 /nfs/dbraw/zinc/16/64/08/461166408.db2.gz LDTUVSXNQQIWDB-QGZVFWFLSA-N 2 2 338.455 3.214 20 0 EGADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000662365423 461214336 /nfs/dbraw/zinc/21/43/36/461214336.db2.gz SEOYJWYBGBLDLF-AWEZNQCLSA-N 2 2 338.521 3.079 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109163 461245279 /nfs/dbraw/zinc/24/52/79/461245279.db2.gz CUABIWUIYCALND-OCCSQVGLSA-N 2 2 326.868 3.359 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109163 461245284 /nfs/dbraw/zinc/24/52/84/461245284.db2.gz CUABIWUIYCALND-OCCSQVGLSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109163 461245289 /nfs/dbraw/zinc/24/52/89/461245289.db2.gz CUABIWUIYCALND-OCCSQVGLSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109163 461245293 /nfs/dbraw/zinc/24/52/93/461245293.db2.gz CUABIWUIYCALND-OCCSQVGLSA-N 2 2 326.868 3.359 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442510 461252707 /nfs/dbraw/zinc/25/27/07/461252707.db2.gz RYOSQHJSETYXRL-YWZLYKJASA-N 2 2 338.455 3.091 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630747889 461285551 /nfs/dbraw/zinc/28/55/51/461285551.db2.gz XPDYJYDPTCJTRD-MRXNPFEDSA-N 2 2 340.471 3.319 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630747889 461285559 /nfs/dbraw/zinc/28/55/59/461285559.db2.gz XPDYJYDPTCJTRD-MRXNPFEDSA-N 2 2 340.471 3.319 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000646578297 461337395 /nfs/dbraw/zinc/33/73/95/461337395.db2.gz XYTNULIYFURGTM-LJQANCHMSA-N 2 2 341.430 3.278 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000646578297 461337402 /nfs/dbraw/zinc/33/74/02/461337402.db2.gz XYTNULIYFURGTM-LJQANCHMSA-N 2 2 341.430 3.278 20 0 EGADLP Clc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000655684867 461361282 /nfs/dbraw/zinc/36/12/82/461361282.db2.gz ZSPDPCKWEGAGJV-HNNXBMFYSA-N 2 2 329.271 3.336 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655693016 461366142 /nfs/dbraw/zinc/36/61/42/461366142.db2.gz YXKWDOKJVSKNIO-SFHVURJKSA-N 2 2 342.487 3.228 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000655707458 461378291 /nfs/dbraw/zinc/37/82/91/461378291.db2.gz STWDLWXJJHSLRY-WFASDCNBSA-N 2 2 326.843 3.383 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655719654 461390105 /nfs/dbraw/zinc/39/01/05/461390105.db2.gz UREBRUJYLIZAQD-MDZRGWNJSA-N 2 2 332.488 3.030 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000655727583 461396870 /nfs/dbraw/zinc/39/68/70/461396870.db2.gz PAFIASHYCZEWOZ-RISCZKNCSA-N 2 2 328.378 3.008 20 0 EGADLP Cc1cccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655730361 461398816 /nfs/dbraw/zinc/39/88/16/461398816.db2.gz OIDWSOKCRHXTIC-SFTDATJTSA-N 2 2 328.500 3.159 20 0 EGADLP C[C@]1(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]C1 ZINC000663009597 461426638 /nfs/dbraw/zinc/42/66/38/461426638.db2.gz FYGJOQAICLWDAD-KRWDZBQOSA-N 2 2 331.803 3.009 20 0 EGADLP C[N@H+](Cc1nnc2ccccn21)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663073547 461444700 /nfs/dbraw/zinc/44/47/00/461444700.db2.gz CIXCPGHDVPUWJT-UHFFFAOYSA-N 2 2 349.482 3.347 20 0 EGADLP C[N@@H+](Cc1nnc2ccccn21)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000663073547 461444714 /nfs/dbraw/zinc/44/47/14/461444714.db2.gz CIXCPGHDVPUWJT-UHFFFAOYSA-N 2 2 349.482 3.347 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086393 461449055 /nfs/dbraw/zinc/44/90/55/461449055.db2.gz JRKDBZGYBCMAAZ-PKOBYXMFSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086393 461449063 /nfs/dbraw/zinc/44/90/63/461449063.db2.gz JRKDBZGYBCMAAZ-PKOBYXMFSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc2n(n1)CCC2 ZINC000666094374 461452517 /nfs/dbraw/zinc/45/25/17/461452517.db2.gz ZZXNQRPPNGGBQA-KXBFYZLASA-N 2 2 335.455 3.197 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638496198 461455776 /nfs/dbraw/zinc/45/57/76/461455776.db2.gz QBFSECSGXSGCQJ-GHTZIAJQSA-N 2 2 338.499 3.495 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638496198 461455787 /nfs/dbraw/zinc/45/57/87/461455787.db2.gz QBFSECSGXSGCQJ-GHTZIAJQSA-N 2 2 338.499 3.495 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860017 461463626 /nfs/dbraw/zinc/46/36/26/461463626.db2.gz RNWUTMPMQZNDCG-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860017 461463632 /nfs/dbraw/zinc/46/36/32/461463632.db2.gz RNWUTMPMQZNDCG-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860017 461463636 /nfs/dbraw/zinc/46/36/36/461463636.db2.gz RNWUTMPMQZNDCG-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860017 461463644 /nfs/dbraw/zinc/46/36/44/461463644.db2.gz RNWUTMPMQZNDCG-CJNGLKHVSA-N 2 2 332.410 3.399 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000653061830 461483404 /nfs/dbraw/zinc/48/34/04/461483404.db2.gz AECRENDMQPELLC-AWEZNQCLSA-N 2 2 347.846 3.350 20 0 EGADLP CC(C)CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653072622 461487888 /nfs/dbraw/zinc/48/78/88/461487888.db2.gz YDRGLLLRPUZIOO-IAGOWNOFSA-N 2 2 339.911 3.213 20 0 EGADLP CO[C@H](C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000638601718 461500188 /nfs/dbraw/zinc/50/01/88/461500188.db2.gz OMRVCZWXQPDNSM-VQIMIIECSA-N 2 2 334.504 3.147 20 0 EGADLP CO[C@@H](C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000638601715 461500976 /nfs/dbraw/zinc/50/09/76/461500976.db2.gz OMRVCZWXQPDNSM-APWZRJJASA-N 2 2 334.504 3.147 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)sn1 ZINC000638612010 461506158 /nfs/dbraw/zinc/50/61/58/461506158.db2.gz LJNCZIKMTYKLPS-CQSZACIVSA-N 2 2 331.485 3.467 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)sn1 ZINC000638671921 461528632 /nfs/dbraw/zinc/52/86/32/461528632.db2.gz UQWKPUZVYNAYTK-BLLLJJGKSA-N 2 2 337.514 3.386 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)sn1 ZINC000638671921 461528644 /nfs/dbraw/zinc/52/86/44/461528644.db2.gz UQWKPUZVYNAYTK-BLLLJJGKSA-N 2 2 337.514 3.386 20 0 EGADLP Clc1ccccc1Cn1cc[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000663258037 461529471 /nfs/dbraw/zinc/52/94/71/461529471.db2.gz SXOFXQIDGNYHST-UHFFFAOYSA-N 2 2 327.819 3.340 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631139314 461583531 /nfs/dbraw/zinc/58/35/31/461583531.db2.gz MTRGTDKGZVLKOU-AWEZNQCLSA-N 2 2 325.460 3.003 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631139314 461583542 /nfs/dbraw/zinc/58/35/42/461583542.db2.gz MTRGTDKGZVLKOU-AWEZNQCLSA-N 2 2 325.460 3.003 20 0 EGADLP CCOc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1OC ZINC000647262270 461597697 /nfs/dbraw/zinc/59/76/97/461597697.db2.gz PPNKQACCGIOMHC-UHFFFAOYSA-N 2 2 339.439 3.382 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068559 461600685 /nfs/dbraw/zinc/60/06/85/461600685.db2.gz IGLFWZLYUPCQMI-NQIIRXRSSA-N 2 2 349.478 3.366 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068559 461600697 /nfs/dbraw/zinc/60/06/97/461600697.db2.gz IGLFWZLYUPCQMI-NQIIRXRSSA-N 2 2 349.478 3.366 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+]CC[NH+]2CCC(OC)CC2)cc1 ZINC000647291586 461616446 /nfs/dbraw/zinc/61/64/46/461616446.db2.gz SMJAMDYXWUZGLC-FQEVSTJZSA-N 2 2 334.504 3.483 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000638938396 461654644 /nfs/dbraw/zinc/65/46/44/461654644.db2.gz XPLGZFVXFPKIHF-WCQYABFASA-N 2 2 331.803 3.089 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254726 461678737 /nfs/dbraw/zinc/67/87/37/461678737.db2.gz JDHGDOZGRJYBQR-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254726 461678741 /nfs/dbraw/zinc/67/87/41/461678741.db2.gz JDHGDOZGRJYBQR-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254726 461678744 /nfs/dbraw/zinc/67/87/44/461678744.db2.gz JDHGDOZGRJYBQR-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254726 461678748 /nfs/dbraw/zinc/67/87/48/461678748.db2.gz JDHGDOZGRJYBQR-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000656256160 461679396 /nfs/dbraw/zinc/67/93/96/461679396.db2.gz TZKPCFYEYRNBGV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000656256160 461679400 /nfs/dbraw/zinc/67/94/00/461679400.db2.gz TZKPCFYEYRNBGV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000656256160 461679410 /nfs/dbraw/zinc/67/94/10/461679410.db2.gz TZKPCFYEYRNBGV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000656256160 461679418 /nfs/dbraw/zinc/67/94/18/461679418.db2.gz TZKPCFYEYRNBGV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000653539301 461709616 /nfs/dbraw/zinc/70/96/16/461709616.db2.gz ZIUULHMLNLSQFP-KRWDZBQOSA-N 2 2 337.826 3.219 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000653539301 461709624 /nfs/dbraw/zinc/70/96/24/461709624.db2.gz ZIUULHMLNLSQFP-KRWDZBQOSA-N 2 2 337.826 3.219 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H](C)[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000666615634 461720863 /nfs/dbraw/zinc/72/08/63/461720863.db2.gz AMYDRCJNYZBTBL-JKSUJKDBSA-N 2 2 347.507 3.231 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cccc(Br)c2OC)CC[C@@H]1[NH3+] ZINC000647497345 461736182 /nfs/dbraw/zinc/73/61/82/461736182.db2.gz DIEYGCLWMBFYJR-RISCZKNCSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2OC)CC[C@@H]1[NH3+] ZINC000647497345 461736192 /nfs/dbraw/zinc/73/61/92/461736192.db2.gz DIEYGCLWMBFYJR-RISCZKNCSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@@H]1[NH3+] ZINC000647498439 461737583 /nfs/dbraw/zinc/73/75/83/461737583.db2.gz HDNHSRXOCMYXRQ-AAEUAGOBSA-N 2 2 340.393 3.151 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@@H]1[NH3+] ZINC000647498439 461737593 /nfs/dbraw/zinc/73/75/93/461737593.db2.gz HDNHSRXOCMYXRQ-AAEUAGOBSA-N 2 2 340.393 3.151 20 0 EGADLP CC(C)C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccn1 ZINC000643503985 461748237 /nfs/dbraw/zinc/74/82/37/461748237.db2.gz YEIOQKLRXFLNDL-SFHVURJKSA-N 2 2 325.460 3.086 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cccs2)CC1 ZINC000647550493 461762780 /nfs/dbraw/zinc/76/27/80/461762780.db2.gz UDRYCMOMMOPDTQ-WJFTUGDTSA-N 3 2 347.572 3.499 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)c2)nc1 ZINC000647553597 461764118 /nfs/dbraw/zinc/76/41/18/461764118.db2.gz DURKKHBECAGSMN-FQEVSTJZSA-N 2 2 337.467 3.425 20 0 EGADLP c1ccc2c(CC[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)nsc2c1 ZINC000660435029 461777522 /nfs/dbraw/zinc/77/75/22/461777522.db2.gz JFVRDBMBBUJPMO-OAHLLOKOSA-N 2 2 325.437 3.387 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639176777 461781772 /nfs/dbraw/zinc/78/17/72/461781772.db2.gz KGECNHPOFYIOSM-SNVBAGLBSA-N 2 2 325.243 3.299 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639176777 461781777 /nfs/dbraw/zinc/78/17/77/461781777.db2.gz KGECNHPOFYIOSM-SNVBAGLBSA-N 2 2 325.243 3.299 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000666748067 461788622 /nfs/dbraw/zinc/78/86/22/461788622.db2.gz XTGRVZBBQJUPPX-UHFFFAOYSA-N 2 2 342.487 3.487 20 0 EGADLP CC(C)O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475830 461801298 /nfs/dbraw/zinc/80/12/98/461801298.db2.gz VRNBNVLDTISGPY-SFTDATJTSA-N 2 2 346.515 3.339 20 0 EGADLP CC(C)O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475830 461801304 /nfs/dbraw/zinc/80/13/04/461801304.db2.gz VRNBNVLDTISGPY-SFTDATJTSA-N 2 2 346.515 3.339 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660483535 461805543 /nfs/dbraw/zinc/80/55/43/461805543.db2.gz PXLGRYAXPMSQKM-UYAOXDASSA-N 2 2 328.500 3.151 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660483535 461805551 /nfs/dbraw/zinc/80/55/51/461805551.db2.gz PXLGRYAXPMSQKM-UYAOXDASSA-N 2 2 328.500 3.151 20 0 EGADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000639215722 461809188 /nfs/dbraw/zinc/80/91/88/461809188.db2.gz FYISNFDQRZNMPZ-KGLIPLIRSA-N 2 2 346.862 3.063 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@@H+]2C2CC2)cc1 ZINC000639221101 461812009 /nfs/dbraw/zinc/81/20/09/461812009.db2.gz LGIAPPCROZJBEL-WMZOPIPTSA-N 2 2 337.471 3.140 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@H+]2C2CC2)cc1 ZINC000639221101 461812014 /nfs/dbraw/zinc/81/20/14/461812014.db2.gz LGIAPPCROZJBEL-WMZOPIPTSA-N 2 2 337.471 3.140 20 0 EGADLP C[C@@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CC[NH+](C)CC1 ZINC000669905857 461833880 /nfs/dbraw/zinc/83/38/80/461833880.db2.gz CCFSHHNHNPNUQI-OAHLLOKOSA-N 2 2 339.439 3.334 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798812 461841492 /nfs/dbraw/zinc/84/14/92/461841492.db2.gz XTATWCCMXPTTHU-RBSFLKMASA-N 3 2 330.863 3.003 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814426 461848399 /nfs/dbraw/zinc/84/83/99/461848399.db2.gz NQFXOTCQGVCJJV-UHFFFAOYSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814426 461848403 /nfs/dbraw/zinc/84/84/03/461848403.db2.gz NQFXOTCQGVCJJV-UHFFFAOYSA-N 2 2 337.552 3.124 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Br ZINC000650710919 461904734 /nfs/dbraw/zinc/90/47/34/461904734.db2.gz CXEHSGKHLYGSJC-MFKMUULPSA-N 2 2 347.322 3.469 20 0 EGADLP Fc1ccc(COc2cccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)c2)cc1 ZINC000666946421 461882549 /nfs/dbraw/zinc/88/25/49/461882549.db2.gz BGTWTCVVRXMLCB-ROUUACIJSA-N 2 2 332.394 3.194 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1cc(N(C)C)c(Br)c[nH+]1 ZINC000656776379 461888772 /nfs/dbraw/zinc/88/87/72/461888772.db2.gz JKTDAYQWTNAJKQ-UHFFFAOYSA-N 2 2 338.253 3.300 20 0 EGADLP Cc1cc(CO)cc(NCC2([N@H+](C)Cc3ccccc3)CCC2)[nH+]1 ZINC000663963334 461889818 /nfs/dbraw/zinc/88/98/18/461889818.db2.gz NXPABAWRXAJPMZ-UHFFFAOYSA-N 2 2 325.456 3.349 20 0 EGADLP Cc1cc(CO)cc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)[nH+]1 ZINC000663963334 461889822 /nfs/dbraw/zinc/88/98/22/461889822.db2.gz NXPABAWRXAJPMZ-UHFFFAOYSA-N 2 2 325.456 3.349 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000647926767 461890234 /nfs/dbraw/zinc/89/02/34/461890234.db2.gz LWIIHTLUNXGNFY-UHFFFAOYSA-N 2 2 329.488 3.166 20 0 EGADLP CC[C@H]1C[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@@H]1[NH3+] ZINC000647938997 461895443 /nfs/dbraw/zinc/89/54/43/461895443.db2.gz YRIGUDMCHUCDPR-YOEHRIQHSA-N 2 2 328.460 3.419 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@@H]1[NH3+] ZINC000647938997 461895452 /nfs/dbraw/zinc/89/54/52/461895452.db2.gz YRIGUDMCHUCDPR-YOEHRIQHSA-N 2 2 328.460 3.419 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938962 461896708 /nfs/dbraw/zinc/89/67/08/461896708.db2.gz XVHNHHJMRYEWQP-AHRSYUTCSA-N 2 2 337.467 3.426 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938962 461896713 /nfs/dbraw/zinc/89/67/13/461896713.db2.gz XVHNHHJMRYEWQP-AHRSYUTCSA-N 2 2 337.467 3.426 20 0 EGADLP Cc1ccc2[nH+]cc(CN[C@@H]3C[NH2+]CC[C@@H]3c3cccc(F)c3)n2c1 ZINC000656790046 461899790 /nfs/dbraw/zinc/89/97/90/461899790.db2.gz HDNGTCRALBKXMH-RTBURBONSA-N 2 2 338.430 3.017 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1Br ZINC000650710919 461904728 /nfs/dbraw/zinc/90/47/28/461904728.db2.gz CXEHSGKHLYGSJC-MFKMUULPSA-N 2 2 347.322 3.469 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958850 461908920 /nfs/dbraw/zinc/90/89/20/461908920.db2.gz HWFHDYJMOOOPTR-MRXNPFEDSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958850 461908927 /nfs/dbraw/zinc/90/89/27/461908927.db2.gz HWFHDYJMOOOPTR-MRXNPFEDSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958850 461908933 /nfs/dbraw/zinc/90/89/33/461908933.db2.gz HWFHDYJMOOOPTR-MRXNPFEDSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958850 461908940 /nfs/dbraw/zinc/90/89/40/461908940.db2.gz HWFHDYJMOOOPTR-MRXNPFEDSA-N 2 2 344.421 3.371 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657613 461910217 /nfs/dbraw/zinc/91/02/17/461910217.db2.gz YLYHQTYYENRRGA-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657613 461910222 /nfs/dbraw/zinc/91/02/22/461910222.db2.gz YLYHQTYYENRRGA-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657613 461910228 /nfs/dbraw/zinc/91/02/28/461910228.db2.gz YLYHQTYYENRRGA-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657613 461910234 /nfs/dbraw/zinc/91/02/34/461910234.db2.gz YLYHQTYYENRRGA-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673751 461918684 /nfs/dbraw/zinc/91/86/84/461918684.db2.gz DYBZFUUZEGHQFQ-HDICACEKSA-N 2 2 343.515 3.030 20 0 EGADLP CC[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@H]1[NH3+] ZINC000667099720 461949322 /nfs/dbraw/zinc/94/93/22/461949322.db2.gz UNUUUFKZWGBZEG-RDTXWAMCSA-N 2 2 340.427 3.465 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]C2(Cc3ccccc3)CCOCC2)C1 ZINC000660753208 461954147 /nfs/dbraw/zinc/95/41/47/461954147.db2.gz UUNXOEXVAYGROU-RTBURBONSA-N 2 2 330.516 3.346 20 0 EGADLP Cc1cc(C)c(NC(=O)NCc2ccc[nH+]c2N2CCCC2)c(C)[nH+]1 ZINC000667119124 461958451 /nfs/dbraw/zinc/95/84/51/461958451.db2.gz JQMDMBQSZRHDEK-UHFFFAOYSA-N 2 2 339.443 3.324 20 0 EGADLP Cc1noc(C2CCC([NH2+]C[C@H](Cc3ccccc3)[NH+](C)C)CC2)n1 ZINC000644531590 461973389 /nfs/dbraw/zinc/97/33/89/461973389.db2.gz HLELTSOLCYGENB-ACBHZAAOSA-N 2 2 342.487 3.167 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000644536001 461974599 /nfs/dbraw/zinc/97/45/99/461974599.db2.gz CYXZTCCAXVQKAD-INIZCTEOSA-N 2 2 336.838 3.062 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000644536001 461974604 /nfs/dbraw/zinc/97/46/04/461974604.db2.gz CYXZTCCAXVQKAD-INIZCTEOSA-N 2 2 336.838 3.062 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856604 461996690 /nfs/dbraw/zinc/99/66/90/461996690.db2.gz QGLOJBQFXNZKOH-QGZVFWFLSA-N 3 2 326.488 3.302 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856604 461996696 /nfs/dbraw/zinc/99/66/96/461996696.db2.gz QGLOJBQFXNZKOH-QGZVFWFLSA-N 3 2 326.488 3.302 20 0 EGADLP Cc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)nc(C)n1 ZINC000660856991 461997652 /nfs/dbraw/zinc/99/76/52/461997652.db2.gz CJXOFKCFIHWOFG-UHFFFAOYSA-N 2 2 335.455 3.424 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000644626507 462015895 /nfs/dbraw/zinc/01/58/95/462015895.db2.gz ZYRIAMXMVBZDPG-SJLPKXTDSA-N 2 2 330.497 3.208 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000644626507 462015899 /nfs/dbraw/zinc/01/58/99/462015899.db2.gz ZYRIAMXMVBZDPG-SJLPKXTDSA-N 2 2 330.497 3.208 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)ccc1OC(C)C ZINC000657300850 462027901 /nfs/dbraw/zinc/02/79/01/462027901.db2.gz OEUBKIXKAKNDRP-CQSZACIVSA-N 2 2 329.444 3.476 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(OCc3ccccn3)c1)CCC2 ZINC000657311202 462036703 /nfs/dbraw/zinc/03/67/03/462036703.db2.gz IDEGBLUZMFPDJG-UHFFFAOYSA-N 2 2 334.423 3.093 20 0 EGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657323218 462045031 /nfs/dbraw/zinc/04/50/31/462045031.db2.gz XFCIYOGAYZWKTO-CQSZACIVSA-N 2 2 326.444 3.104 20 0 EGADLP Clc1ccc(N2CC[C@@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657333270 462052884 /nfs/dbraw/zinc/05/28/84/462052884.db2.gz ZSHGKZAHLKDJCU-AWEZNQCLSA-N 2 2 330.863 3.099 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(C(F)(F)F)c1 ZINC000657342318 462059988 /nfs/dbraw/zinc/05/99/88/462059988.db2.gz LDIXXFRYNWECBH-UHFFFAOYSA-N 2 2 325.334 3.147 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000657363902 462072743 /nfs/dbraw/zinc/07/27/43/462072743.db2.gz RTOUZQBTTBTWQK-UHFFFAOYSA-N 2 2 328.460 3.033 20 0 EGADLP CC(C)c1nnc(CC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000639719167 462075159 /nfs/dbraw/zinc/07/51/59/462075159.db2.gz ZWJJOZNAEKYZCJ-KRWDZBQOSA-N 2 2 333.524 3.057 20 0 EGADLP CC(C)c1nnc(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000639719167 462075165 /nfs/dbraw/zinc/07/51/65/462075165.db2.gz ZWJJOZNAEKYZCJ-KRWDZBQOSA-N 2 2 333.524 3.057 20 0 EGADLP CC(C)c1nc(CC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n[nH]1 ZINC000639719167 462075174 /nfs/dbraw/zinc/07/51/74/462075174.db2.gz ZWJJOZNAEKYZCJ-KRWDZBQOSA-N 2 2 333.524 3.057 20 0 EGADLP CC(C)c1nc(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n[nH]1 ZINC000639719167 462075179 /nfs/dbraw/zinc/07/51/79/462075179.db2.gz ZWJJOZNAEKYZCJ-KRWDZBQOSA-N 2 2 333.524 3.057 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843100 462102016 /nfs/dbraw/zinc/10/20/16/462102016.db2.gz NLHYKOFUGSIQLQ-LJQANCHMSA-N 2 2 344.890 3.112 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843100 462102024 /nfs/dbraw/zinc/10/20/24/462102024.db2.gz NLHYKOFUGSIQLQ-LJQANCHMSA-N 2 2 344.890 3.112 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843100 462102035 /nfs/dbraw/zinc/10/20/35/462102035.db2.gz NLHYKOFUGSIQLQ-LJQANCHMSA-N 2 2 344.890 3.112 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)C2)C1 ZINC000644843100 462102044 /nfs/dbraw/zinc/10/20/44/462102044.db2.gz NLHYKOFUGSIQLQ-LJQANCHMSA-N 2 2 344.890 3.112 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432070 462120102 /nfs/dbraw/zinc/12/01/02/462120102.db2.gz NSZAESPXXFSUMK-SESVDKBCSA-N 3 2 338.499 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432070 462120107 /nfs/dbraw/zinc/12/01/07/462120107.db2.gz NSZAESPXXFSUMK-SESVDKBCSA-N 3 2 338.499 3.119 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000657537488 462171890 /nfs/dbraw/zinc/17/18/90/462171890.db2.gz MQDMHUPDLZMSIV-OAGGEKHMSA-N 2 2 333.907 3.381 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000657537488 462171895 /nfs/dbraw/zinc/17/18/95/462171895.db2.gz MQDMHUPDLZMSIV-OAGGEKHMSA-N 2 2 333.907 3.381 20 0 EGADLP CCc1cccc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)oc21 ZINC000667670288 462203097 /nfs/dbraw/zinc/20/30/97/462203097.db2.gz JEFCNSMOEGEZRP-MRXNPFEDSA-N 2 2 328.456 3.149 20 0 EGADLP CCc1cccc2cc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)oc21 ZINC000667670288 462203101 /nfs/dbraw/zinc/20/31/01/462203101.db2.gz JEFCNSMOEGEZRP-MRXNPFEDSA-N 2 2 328.456 3.149 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661377157 462222729 /nfs/dbraw/zinc/22/27/29/462222729.db2.gz KFQYESKPCYXGNW-UHFFFAOYSA-N 2 2 339.270 3.321 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1C ZINC000645195559 462228284 /nfs/dbraw/zinc/22/82/84/462228284.db2.gz RKIACDDXUFUDSZ-ZBFHGGJFSA-N 2 2 325.460 3.028 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1C ZINC000645195559 462228286 /nfs/dbraw/zinc/22/82/86/462228286.db2.gz RKIACDDXUFUDSZ-ZBFHGGJFSA-N 2 2 325.460 3.028 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NCc3ccc(C)[nH+]c3N3CCCC3)c2c1C ZINC000645209632 462236038 /nfs/dbraw/zinc/23/60/38/462236038.db2.gz UEGJQZCBLUOOTR-UHFFFAOYSA-N 2 2 336.443 3.490 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC[N@@H+]1C ZINC000648723153 462246448 /nfs/dbraw/zinc/24/64/48/462246448.db2.gz FFDGVUQAMQWROK-UKRRQHHQSA-N 2 2 326.444 3.041 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC[N@H+]1C ZINC000648723153 462246451 /nfs/dbraw/zinc/24/64/51/462246451.db2.gz FFDGVUQAMQWROK-UKRRQHHQSA-N 2 2 326.444 3.041 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657829794 462286930 /nfs/dbraw/zinc/28/69/30/462286930.db2.gz IIFJMQNKUVFWCN-MGPQQGTHSA-N 2 2 327.419 3.169 20 0 EGADLP c1nnn(-c2ccccc2)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000651692989 462304937 /nfs/dbraw/zinc/30/49/37/462304937.db2.gz YKUKDLBCTMMUEJ-UHFFFAOYSA-N 2 2 339.487 3.012 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000651752801 462325854 /nfs/dbraw/zinc/32/58/54/462325854.db2.gz VCITVTVITXBDAP-UHFFFAOYSA-N 2 2 335.455 3.476 20 0 EGADLP Fc1ccc(COC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667952007 462341423 /nfs/dbraw/zinc/34/14/23/462341423.db2.gz OYILTEYBBJXZDB-UHFFFAOYSA-N 2 2 329.419 3.150 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000665249489 462368487 /nfs/dbraw/zinc/36/84/87/462368487.db2.gz RIJAJZJKOFNWFD-LBPRGKRZSA-N 2 2 333.867 3.151 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000665253422 462370057 /nfs/dbraw/zinc/37/00/57/462370057.db2.gz QBPYHGFKOOBNES-SMNXXWJPSA-N 2 2 332.394 3.467 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000665253344 462370469 /nfs/dbraw/zinc/37/04/69/462370469.db2.gz OJEKHLIIOMMIGI-MORSLUCNSA-N 2 2 342.414 3.351 20 0 EGADLP CN(C(=O)CCC1CCCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654774089 462378935 /nfs/dbraw/zinc/37/89/35/462378935.db2.gz VHNRNJYEGLSHNV-FQEVSTJZSA-N 2 2 349.563 3.364 20 0 EGADLP CN(C(=O)CCC1CCCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654774089 462378941 /nfs/dbraw/zinc/37/89/41/462378941.db2.gz VHNRNJYEGLSHNV-FQEVSTJZSA-N 2 2 349.563 3.364 20 0 EGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000668079400 462408193 /nfs/dbraw/zinc/40/81/93/462408193.db2.gz ICGVNWVKQOSQIT-OAHLLOKOSA-N 2 2 328.460 3.276 20 0 EGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000668079400 462408200 /nfs/dbraw/zinc/40/82/00/462408200.db2.gz ICGVNWVKQOSQIT-OAHLLOKOSA-N 2 2 328.460 3.276 20 0 EGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc21 ZINC000668108090 462424415 /nfs/dbraw/zinc/42/44/15/462424415.db2.gz RNOQKGRNLMXWGZ-KRWDZBQOSA-N 2 2 327.472 3.021 20 0 EGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc21 ZINC000668108090 462424422 /nfs/dbraw/zinc/42/44/22/462424422.db2.gz RNOQKGRNLMXWGZ-KRWDZBQOSA-N 2 2 327.472 3.021 20 0 EGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652132944 462444901 /nfs/dbraw/zinc/44/49/01/462444901.db2.gz BSAIFZCEMRYWHS-OAHLLOKOSA-N 2 2 333.432 3.040 20 0 EGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156522 462454642 /nfs/dbraw/zinc/45/46/42/462454642.db2.gz FUMFGFGIJZHTLH-ZBFHGGJFSA-N 2 2 336.476 3.095 20 0 EGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156522 462454645 /nfs/dbraw/zinc/45/46/45/462454645.db2.gz FUMFGFGIJZHTLH-ZBFHGGJFSA-N 2 2 336.476 3.095 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296464 462462578 /nfs/dbraw/zinc/46/25/78/462462578.db2.gz ZVBOXLLLJNYHOR-MJGOQNOKSA-N 2 2 330.472 3.052 20 0 EGADLP c1n[nH]c([C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCCCC2)n1 ZINC000658352410 462487481 /nfs/dbraw/zinc/48/74/81/462487481.db2.gz GCTIWKUTJNJHML-SFHVURJKSA-N 2 2 331.508 3.138 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416947 462503081 /nfs/dbraw/zinc/50/30/81/462503081.db2.gz REBSOTBICDCICD-WMZOPIPTSA-N 2 2 329.513 3.488 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416947 462503086 /nfs/dbraw/zinc/50/30/86/462503086.db2.gz REBSOTBICDCICD-WMZOPIPTSA-N 2 2 329.513 3.488 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1C(F)(F)F)CCO2 ZINC000646102183 462518230 /nfs/dbraw/zinc/51/82/30/462518230.db2.gz DQFMOQGZIBBKKH-UHFFFAOYSA-N 2 2 328.378 3.002 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1C(F)(F)F)CCO2 ZINC000646102183 462518233 /nfs/dbraw/zinc/51/82/33/462518233.db2.gz DQFMOQGZIBBKKH-UHFFFAOYSA-N 2 2 328.378 3.002 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000129700418 533799106 /nfs/dbraw/zinc/79/91/06/533799106.db2.gz XSFITTNRSNCZQQ-IUODEOHRSA-N 2 2 333.457 3.123 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000129700418 533799119 /nfs/dbraw/zinc/79/91/19/533799119.db2.gz XSFITTNRSNCZQQ-IUODEOHRSA-N 2 2 333.457 3.123 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000171889950 534673794 /nfs/dbraw/zinc/67/37/94/534673794.db2.gz ANGRZOLMNVAVGY-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890351 527836062 /nfs/dbraw/zinc/83/60/62/527836062.db2.gz ICLTZISYCBOUAQ-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890351 527836066 /nfs/dbraw/zinc/83/60/66/527836066.db2.gz ICLTZISYCBOUAQ-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890351 527836072 /nfs/dbraw/zinc/83/60/72/527836072.db2.gz ICLTZISYCBOUAQ-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1)[C@@H](C)c1ccc(F)cc1 ZINC000173890351 527836079 /nfs/dbraw/zinc/83/60/79/527836079.db2.gz ICLTZISYCBOUAQ-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838041 527836406 /nfs/dbraw/zinc/83/64/06/527836406.db2.gz LXDOGVQGZTVPLB-CQSZACIVSA-N 2 2 341.293 3.231 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838041 527836412 /nfs/dbraw/zinc/83/64/12/527836412.db2.gz LXDOGVQGZTVPLB-CQSZACIVSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838041 527836414 /nfs/dbraw/zinc/83/64/14/527836414.db2.gz LXDOGVQGZTVPLB-CQSZACIVSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838041 527836418 /nfs/dbraw/zinc/83/64/18/527836418.db2.gz LXDOGVQGZTVPLB-CQSZACIVSA-N 2 2 341.293 3.231 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387632 527847921 /nfs/dbraw/zinc/84/79/21/527847921.db2.gz NSLADDWCFWGTQB-GOSISDBHSA-N 2 2 344.478 3.234 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387632 527847926 /nfs/dbraw/zinc/84/79/26/527847926.db2.gz NSLADDWCFWGTQB-GOSISDBHSA-N 2 2 344.478 3.234 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387632 527847931 /nfs/dbraw/zinc/84/79/31/527847931.db2.gz NSLADDWCFWGTQB-GOSISDBHSA-N 2 2 344.478 3.234 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387632 527847936 /nfs/dbraw/zinc/84/79/36/527847936.db2.gz NSLADDWCFWGTQB-GOSISDBHSA-N 2 2 344.478 3.234 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000191273721 527956081 /nfs/dbraw/zinc/95/60/81/527956081.db2.gz BUMBDLFQRUXCCC-UHFFFAOYSA-N 2 2 345.281 3.021 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+](C)C ZINC000177917925 529291152 /nfs/dbraw/zinc/29/11/52/529291152.db2.gz XWEGIJKZQLHPFA-KRWDZBQOSA-N 2 2 326.444 3.165 20 0 EGADLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cn1 ZINC000352971301 535809850 /nfs/dbraw/zinc/80/98/50/535809850.db2.gz BUYVWRJZPXKKMN-DLBZAZTESA-N 2 2 343.450 3.319 20 0 EGADLP CCn1nccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353531349 535871748 /nfs/dbraw/zinc/87/17/48/535871748.db2.gz OLSYOROQLUHOFM-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1nccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353531349 535871749 /nfs/dbraw/zinc/87/17/49/535871749.db2.gz OLSYOROQLUHOFM-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1nccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353531349 535871750 /nfs/dbraw/zinc/87/17/50/535871750.db2.gz OLSYOROQLUHOFM-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1nccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353531349 535871753 /nfs/dbraw/zinc/87/17/53/535871753.db2.gz OLSYOROQLUHOFM-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCc1cc(NCC(C)(C)C[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000357958938 536089284 /nfs/dbraw/zinc/08/92/84/536089284.db2.gz KLKOIBMWSNFPIK-UHFFFAOYSA-N 2 2 339.487 3.057 20 0 EGADLP COCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000268771905 536780481 /nfs/dbraw/zinc/78/04/81/536780481.db2.gz FGMJFYHPWSLTIG-OXQOHEQNSA-N 2 2 328.456 3.426 20 0 EGADLP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000268771905 536780485 /nfs/dbraw/zinc/78/04/85/536780485.db2.gz FGMJFYHPWSLTIG-OXQOHEQNSA-N 2 2 328.456 3.426 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000187072644 537051338 /nfs/dbraw/zinc/05/13/38/537051338.db2.gz GTMOJJNUJIRFDB-AWEZNQCLSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000187072644 537051341 /nfs/dbraw/zinc/05/13/41/537051341.db2.gz GTMOJJNUJIRFDB-AWEZNQCLSA-N 2 2 331.485 3.223 20 0 EGADLP C[N@H+](Cc1cscn1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120266023 546713497 /nfs/dbraw/zinc/71/34/97/546713497.db2.gz OYZYEUOGXOOROL-UHFFFAOYSA-N 2 2 331.485 3.250 20 0 EGADLP C[N@@H+](Cc1cscn1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120266023 546713504 /nfs/dbraw/zinc/71/35/04/546713504.db2.gz OYZYEUOGXOOROL-UHFFFAOYSA-N 2 2 331.485 3.250 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CCc1cn3cccc(C)c3[nH+]1)CC2 ZINC000121488653 546725266 /nfs/dbraw/zinc/72/52/66/546725266.db2.gz KBNZPMUCNKUYES-SFHVURJKSA-N 2 2 335.451 3.341 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000158891401 546931226 /nfs/dbraw/zinc/93/12/26/546931226.db2.gz HATKMVKFMBOVKR-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000158891401 546931230 /nfs/dbraw/zinc/93/12/30/546931230.db2.gz HATKMVKFMBOVKR-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000163707399 546974908 /nfs/dbraw/zinc/97/49/08/546974908.db2.gz PAILGDGMNGNRSG-CYBMUJFWSA-N 2 2 330.394 3.467 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840586 547189216 /nfs/dbraw/zinc/18/92/16/547189216.db2.gz LQYWCIFWCNSNRM-WIYYLYMNSA-N 2 2 342.483 3.481 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840586 547189220 /nfs/dbraw/zinc/18/92/20/547189220.db2.gz LQYWCIFWCNSNRM-WIYYLYMNSA-N 2 2 342.483 3.481 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000194155692 547218961 /nfs/dbraw/zinc/21/89/61/547218961.db2.gz RGDICXXFDQQIRT-RHSMWYFYSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000194155692 547218965 /nfs/dbraw/zinc/21/89/65/547218965.db2.gz RGDICXXFDQQIRT-RHSMWYFYSA-N 2 2 338.492 3.309 20 0 EGADLP Cc1nc2ccccc2nc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285848832 547390400 /nfs/dbraw/zinc/39/04/00/547390400.db2.gz XURDLMJVPYUBLE-UHFFFAOYSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1nc2ccccc2nc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285848832 547390407 /nfs/dbraw/zinc/39/04/07/547390407.db2.gz XURDLMJVPYUBLE-UHFFFAOYSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1nc2ccccc2nc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285848832 547390415 /nfs/dbraw/zinc/39/04/15/547390415.db2.gz XURDLMJVPYUBLE-UHFFFAOYSA-N 2 2 338.455 3.485 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567703 /nfs/dbraw/zinc/56/77/03/547567703.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567708 /nfs/dbraw/zinc/56/77/08/547567708.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567713 /nfs/dbraw/zinc/56/77/13/547567713.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000339068279 547567717 /nfs/dbraw/zinc/56/77/17/547567717.db2.gz CWRWGCPATRGMIF-FGTMMUONSA-N 3 2 333.545 3.177 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341684205 547589171 /nfs/dbraw/zinc/58/91/71/547589171.db2.gz OYDPXLFOMRNDBE-HDAAZOAOSA-N 2 2 348.531 3.142 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341684205 547589175 /nfs/dbraw/zinc/58/91/75/547589175.db2.gz OYDPXLFOMRNDBE-HDAAZOAOSA-N 2 2 348.531 3.142 20 0 EGADLP CC[C@H](Nc1cc(C)[nH+]c(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359732264 547754120 /nfs/dbraw/zinc/75/41/20/547754120.db2.gz SJLDDPCHABVBEQ-OALUTQOASA-N 2 2 340.471 3.185 20 0 EGADLP CC[C@H](Nc1cc(C)[nH+]c(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359732264 547754123 /nfs/dbraw/zinc/75/41/23/547754123.db2.gz SJLDDPCHABVBEQ-OALUTQOASA-N 2 2 340.471 3.185 20 0 EGADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882611 548996832 /nfs/dbraw/zinc/99/68/32/548996832.db2.gz STHKNHMHWFHORI-YOEHRIQHSA-N 2 2 336.451 3.128 20 0 EGADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000675888042 548997880 /nfs/dbraw/zinc/99/78/80/548997880.db2.gz PRTFXJGJFLCREC-AWEZNQCLSA-N 2 2 340.349 3.056 20 0 EGADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000675888042 548997882 /nfs/dbraw/zinc/99/78/82/548997882.db2.gz PRTFXJGJFLCREC-AWEZNQCLSA-N 2 2 340.349 3.056 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479545 549095337 /nfs/dbraw/zinc/09/53/37/549095337.db2.gz VFILRCCWOYQHMH-GOSISDBHSA-N 2 2 326.444 3.282 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676479545 549095339 /nfs/dbraw/zinc/09/53/39/549095339.db2.gz VFILRCCWOYQHMH-GOSISDBHSA-N 2 2 326.444 3.282 20 0 EGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000678839859 549576172 /nfs/dbraw/zinc/57/61/72/549576172.db2.gz DEQFZPGSOQWWTC-KRWDZBQOSA-N 2 2 337.471 3.305 20 0 EGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000678839859 549576174 /nfs/dbraw/zinc/57/61/74/549576174.db2.gz DEQFZPGSOQWWTC-KRWDZBQOSA-N 2 2 337.471 3.305 20 0 EGADLP CC(C)Cn1ncnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000679312141 549686119 /nfs/dbraw/zinc/68/61/19/549686119.db2.gz QZFQFUQSNWDKPL-UHFFFAOYSA-N 2 2 333.524 3.022 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000680260322 549840713 /nfs/dbraw/zinc/84/07/13/549840713.db2.gz UFIBJCLUNDKUGV-SFHVURJKSA-N 2 2 326.444 3.169 20 0 EGADLP Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(-c2cc3ccccc3o2)n1 ZINC000681698560 550028135 /nfs/dbraw/zinc/02/81/35/550028135.db2.gz DZHQUTMRAATMRX-INIZCTEOSA-N 2 2 347.422 3.134 20 0 EGADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccnn1C ZINC000682642670 550125520 /nfs/dbraw/zinc/12/55/20/550125520.db2.gz AEZLRXXHTZTABD-OAHLLOKOSA-N 2 2 346.441 3.166 20 0 EGADLP Clc1cccc(-c2nc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)co2)c1 ZINC000683895049 550271791 /nfs/dbraw/zinc/27/17/91/550271791.db2.gz AAYVJRFGICEWCO-UHFFFAOYSA-N 2 2 343.818 3.040 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000684378224 550321759 /nfs/dbraw/zinc/32/17/59/550321759.db2.gz WQQHMRQADVYDNT-IIDMSEBBSA-N 2 2 332.488 3.270 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000684378224 550321760 /nfs/dbraw/zinc/32/17/60/550321760.db2.gz WQQHMRQADVYDNT-IIDMSEBBSA-N 2 2 332.488 3.270 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470715 550420935 /nfs/dbraw/zinc/42/09/35/550420935.db2.gz KZMJEGIVSIXNND-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470715 550420936 /nfs/dbraw/zinc/42/09/36/550420936.db2.gz KZMJEGIVSIXNND-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470715 550420938 /nfs/dbraw/zinc/42/09/38/550420938.db2.gz KZMJEGIVSIXNND-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470715 550420940 /nfs/dbraw/zinc/42/09/40/550420940.db2.gz KZMJEGIVSIXNND-LPHOPBHVSA-N 2 2 344.890 3.442 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000685579422 550429940 /nfs/dbraw/zinc/42/99/40/550429940.db2.gz CMJGRWFSYDNJCX-QGZVFWFLSA-N 2 2 340.423 3.073 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)O1 ZINC000731674871 575196743 /nfs/dbraw/zinc/19/67/43/575196743.db2.gz GFFNRBXHIINFSO-CALCHBBNSA-N 2 2 346.515 3.379 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)O1 ZINC000731674871 575196744 /nfs/dbraw/zinc/19/67/44/575196744.db2.gz GFFNRBXHIINFSO-CALCHBBNSA-N 2 2 346.515 3.379 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000678698709 576169809 /nfs/dbraw/zinc/16/98/09/576169809.db2.gz UOXVMUJZWQFUIT-SFHVURJKSA-N 2 2 335.495 3.441 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000683693715 576184197 /nfs/dbraw/zinc/18/41/97/576184197.db2.gz CCPRNFCPXXIDRC-VQIMIIECSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000683693715 576184199 /nfs/dbraw/zinc/18/41/99/576184199.db2.gz CCPRNFCPXXIDRC-VQIMIIECSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1-c1nn(C[NH+]2CCC(C[NH+](C)C)CC2)c(=S)o1 ZINC000738077771 576285284 /nfs/dbraw/zinc/28/52/84/576285284.db2.gz YKKAPAMHNDSAHX-UHFFFAOYSA-N 2 2 346.500 3.412 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC000743479157 576810009 /nfs/dbraw/zinc/81/00/09/576810009.db2.gz BOWPMOCXCOGYLY-OAHLLOKOSA-N 2 2 347.503 3.041 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(OC)c1 ZINC000063319834 1292006857 /nfs/dbraw/zinc/00/68/57/1292006857.db2.gz QZSDBCVJTVQZBJ-UHFFFAOYSA-N 2 2 332.488 3.448 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000827892206 1292396699 /nfs/dbraw/zinc/39/66/99/1292396699.db2.gz UFDVQAHASXXZTH-UHFFFAOYSA-N 2 2 332.451 3.409 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)c1C ZINC000827971431 1292414422 /nfs/dbraw/zinc/41/44/22/1292414422.db2.gz XZQLYNHCGFEASR-KRWDZBQOSA-N 2 2 347.503 3.401 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003755 1292783410 /nfs/dbraw/zinc/78/34/10/1292783410.db2.gz ZBCJHQISMJOERA-KRWDZBQOSA-N 2 2 343.471 3.152 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003755 1292783418 /nfs/dbraw/zinc/78/34/18/1292783418.db2.gz ZBCJHQISMJOERA-KRWDZBQOSA-N 2 2 343.471 3.152 20 0 EGADLP Clc1nc2ccccn2c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000107044499 1293059602 /nfs/dbraw/zinc/05/96/02/1293059602.db2.gz RKPSNINZADSYQC-UHFFFAOYSA-N 2 2 337.814 3.463 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108429108 1293080877 /nfs/dbraw/zinc/08/08/77/1293080877.db2.gz MEDZDOHUTOKCNC-KRWDZBQOSA-N 2 2 346.906 3.325 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108429108 1293080884 /nfs/dbraw/zinc/08/08/84/1293080884.db2.gz MEDZDOHUTOKCNC-KRWDZBQOSA-N 2 2 346.906 3.325 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112678628 1293131821 /nfs/dbraw/zinc/13/18/21/1293131821.db2.gz QUDIGESSZMMXAT-FQEVSTJZSA-N 2 2 344.547 3.496 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112678628 1293131826 /nfs/dbraw/zinc/13/18/26/1293131826.db2.gz QUDIGESSZMMXAT-FQEVSTJZSA-N 2 2 344.547 3.496 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000834908082 1293173101 /nfs/dbraw/zinc/17/31/01/1293173101.db2.gz BBZZQBXGHNKWGN-UHFFFAOYSA-N 3 2 344.547 3.185 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)cc1 ZINC000834908082 1293173104 /nfs/dbraw/zinc/17/31/04/1293173104.db2.gz BBZZQBXGHNKWGN-UHFFFAOYSA-N 3 2 344.547 3.185 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000115614076 1293191383 /nfs/dbraw/zinc/19/13/83/1293191383.db2.gz WFNLQDVFFDJCSQ-UHFFFAOYSA-N 2 2 345.512 3.319 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000117382155 1293220531 /nfs/dbraw/zinc/22/05/31/1293220531.db2.gz DFCMKLFKRCAMEU-HZPDHXFCSA-N 2 2 345.512 3.351 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](CO)c3ccccc3)CC2)cc1 ZINC000123620940 1293449842 /nfs/dbraw/zinc/44/98/42/1293449842.db2.gz IUTCCODTZYTNMZ-OAQYLSRUSA-N 2 2 339.483 3.045 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135945954 1293804708 /nfs/dbraw/zinc/80/47/08/1293804708.db2.gz HRNGXOPUPVWWQR-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135945954 1293804719 /nfs/dbraw/zinc/80/47/19/1293804719.db2.gz HRNGXOPUPVWWQR-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000153845520 1294030276 /nfs/dbraw/zinc/03/02/76/1294030276.db2.gz MARANNSOHSMLNK-OAQYLSRUSA-N 2 2 339.483 3.045 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ncc(Cl)c1C ZINC000156735194 1294157070 /nfs/dbraw/zinc/15/70/70/1294157070.db2.gz FWOZHULXOMLNPY-UHFFFAOYSA-N 2 2 347.894 3.436 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1ncc(Cl)c1C ZINC000156735194 1294157075 /nfs/dbraw/zinc/15/70/75/1294157075.db2.gz FWOZHULXOMLNPY-UHFFFAOYSA-N 2 2 347.894 3.436 20 0 EGADLP C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCCC1 ZINC000237534740 1296249806 /nfs/dbraw/zinc/24/98/06/1296249806.db2.gz WZGZZRSHACYMPQ-CYBMUJFWSA-N 2 2 325.840 3.460 20 0 EGADLP C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000237687752 1296259403 /nfs/dbraw/zinc/25/94/03/1296259403.db2.gz XGQLPBXOMRRCFZ-PKOBYXMFSA-N 2 2 332.488 3.066 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000246938507 1296376844 /nfs/dbraw/zinc/37/68/44/1296376844.db2.gz ALPMQNQVTALYLO-QUCCMNQESA-N 2 2 343.515 3.154 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000246938507 1296376847 /nfs/dbraw/zinc/37/68/47/1296376847.db2.gz ALPMQNQVTALYLO-QUCCMNQESA-N 2 2 343.515 3.154 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583137 1296421212 /nfs/dbraw/zinc/42/12/12/1296421212.db2.gz WORYWBRZHZYBTO-RHSMWYFYSA-N 2 2 328.859 3.319 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583137 1296421218 /nfs/dbraw/zinc/42/12/18/1296421218.db2.gz WORYWBRZHZYBTO-RHSMWYFYSA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583137 1296421225 /nfs/dbraw/zinc/42/12/25/1296421225.db2.gz WORYWBRZHZYBTO-RHSMWYFYSA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583137 1296421228 /nfs/dbraw/zinc/42/12/28/1296421228.db2.gz WORYWBRZHZYBTO-RHSMWYFYSA-N 2 2 328.859 3.319 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000301513858 1296789688 /nfs/dbraw/zinc/78/96/88/1296789688.db2.gz LJMJIVDKIYUVGG-VQHPVUNQSA-N 2 2 339.524 3.094 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000378906872 1297527875 /nfs/dbraw/zinc/52/78/75/1297527875.db2.gz FAYLJGPMTIKCMW-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000378906872 1297527880 /nfs/dbraw/zinc/52/78/80/1297527880.db2.gz FAYLJGPMTIKCMW-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120074 1297607731 /nfs/dbraw/zinc/60/77/31/1297607731.db2.gz CBMFVTZQDPNSHP-YESZJQIVSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120074 1297607739 /nfs/dbraw/zinc/60/77/39/1297607739.db2.gz CBMFVTZQDPNSHP-YESZJQIVSA-N 2 2 339.524 3.238 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398025248 1297711560 /nfs/dbraw/zinc/71/15/60/1297711560.db2.gz LSHPSJUURWYASQ-KSSFIOAISA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398025248 1297711568 /nfs/dbraw/zinc/71/15/68/1297711568.db2.gz LSHPSJUURWYASQ-KSSFIOAISA-N 2 2 346.906 3.382 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562588 1297820905 /nfs/dbraw/zinc/82/09/05/1297820905.db2.gz RWHSIBKRPXJMAQ-DOMZBBRYSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562588 1297820926 /nfs/dbraw/zinc/82/09/26/1297820926.db2.gz RWHSIBKRPXJMAQ-DOMZBBRYSA-N 2 2 345.409 3.338 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000876578015 1298842375 /nfs/dbraw/zinc/84/23/75/1298842375.db2.gz YCEMPLJEKZZDOE-UHFFFAOYSA-N 2 2 346.700 3.271 20 0 EGADLP CC(C)(C)OC(=O)NCC(C)(C)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876651606 1298898259 /nfs/dbraw/zinc/89/82/59/1298898259.db2.gz XGUQINAAHAPKRA-UHFFFAOYSA-N 2 2 336.480 3.140 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055054 1299134362 /nfs/dbraw/zinc/13/43/62/1299134362.db2.gz OBENPRTWXYEZMP-LRDDRELGSA-N 2 2 336.892 3.364 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055054 1299134367 /nfs/dbraw/zinc/13/43/67/1299134367.db2.gz OBENPRTWXYEZMP-LRDDRELGSA-N 2 2 336.892 3.364 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877056504 1299136423 /nfs/dbraw/zinc/13/64/23/1299136423.db2.gz SXGLHIKQCIIDCQ-RGZWJVDOSA-N 2 2 348.556 3.491 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877056504 1299136428 /nfs/dbraw/zinc/13/64/28/1299136428.db2.gz SXGLHIKQCIIDCQ-RGZWJVDOSA-N 2 2 348.556 3.491 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877115968 1299162678 /nfs/dbraw/zinc/16/26/78/1299162678.db2.gz YBXQYPYIWKKUNI-TZMCWYRMSA-N 2 2 328.287 3.390 20 0 EGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738183 1299514302 /nfs/dbraw/zinc/51/43/02/1299514302.db2.gz AKDAJUHVONQGFP-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738183 1299514308 /nfs/dbraw/zinc/51/43/08/1299514308.db2.gz AKDAJUHVONQGFP-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738183 1299514311 /nfs/dbraw/zinc/51/43/11/1299514311.db2.gz AKDAJUHVONQGFP-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@H]21 ZINC000877738183 1299514314 /nfs/dbraw/zinc/51/43/14/1299514314.db2.gz AKDAJUHVONQGFP-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653093 1300128215 /nfs/dbraw/zinc/12/82/15/1300128215.db2.gz YHXMCGBKXRDTBY-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653093 1300128221 /nfs/dbraw/zinc/12/82/21/1300128221.db2.gz YHXMCGBKXRDTBY-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000878653093 1300128226 /nfs/dbraw/zinc/12/82/26/1300128226.db2.gz YHXMCGBKXRDTBY-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000878653093 1300128232 /nfs/dbraw/zinc/12/82/32/1300128232.db2.gz YHXMCGBKXRDTBY-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP Clc1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000878743773 1300171509 /nfs/dbraw/zinc/17/15/09/1300171509.db2.gz LHWTUYVMJSKUCE-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP Clc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000878743773 1300171514 /nfs/dbraw/zinc/17/15/14/1300171514.db2.gz LHWTUYVMJSKUCE-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP Cc1cccn2cc(Cc3noc(CCCC[NH+]4CCCC4)n3)[nH+]c12 ZINC000761891774 1301562372 /nfs/dbraw/zinc/56/23/72/1301562372.db2.gz SRCJNAGBBIRTIP-UHFFFAOYSA-N 2 2 339.443 3.035 20 0 EGADLP Clc1cnn(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762502776 1301694648 /nfs/dbraw/zinc/69/46/48/1301694648.db2.gz XLWYGYGYQXOTDX-UHFFFAOYSA-N 2 2 344.890 3.482 20 0 EGADLP Clc1cnn(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000762502776 1301694654 /nfs/dbraw/zinc/69/46/54/1301694654.db2.gz XLWYGYGYQXOTDX-UHFFFAOYSA-N 2 2 344.890 3.482 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)CC(C)(C)C)CC2)cc1 ZINC000766059573 1302379722 /nfs/dbraw/zinc/37/97/22/1302379722.db2.gz IEVPPQAWHDQJEH-LJQANCHMSA-N 2 2 333.520 3.108 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275967 1302419983 /nfs/dbraw/zinc/41/99/83/1302419983.db2.gz ZPXZISBQPUJQSC-HUUCEWRRSA-N 2 2 330.476 3.105 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275967 1302419988 /nfs/dbraw/zinc/41/99/88/1302419988.db2.gz ZPXZISBQPUJQSC-HUUCEWRRSA-N 2 2 330.476 3.105 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221419 1302858414 /nfs/dbraw/zinc/85/84/14/1302858414.db2.gz RFIQBFNNKJFZFL-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221419 1302858426 /nfs/dbraw/zinc/85/84/26/1302858426.db2.gz RFIQBFNNKJFZFL-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc4[nH+]ccn43)cc21 ZINC000770434107 1303267997 /nfs/dbraw/zinc/26/79/97/1303267997.db2.gz ZNOMKJOAMAHDRN-UHFFFAOYSA-N 2 2 347.422 3.103 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cs1 ZINC000886659211 1303541346 /nfs/dbraw/zinc/54/13/46/1303541346.db2.gz GKTDCGRVOAXSSG-UHFFFAOYSA-N 2 2 333.457 3.254 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)[nH+]c1C ZINC000886670214 1303548518 /nfs/dbraw/zinc/54/85/18/1303548518.db2.gz KYPQOLOANKYRHQ-UHFFFAOYSA-N 2 2 337.427 3.456 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C)c(F)c3)CC2)[nH+]c1C ZINC000886668773 1303548757 /nfs/dbraw/zinc/54/87/57/1303548757.db2.gz ZEKMBSZXXHLSTN-UHFFFAOYSA-N 2 2 344.434 3.292 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867721 1303619746 /nfs/dbraw/zinc/61/97/46/1303619746.db2.gz LYLAREQUORQNMB-HNAYVOBHSA-N 2 2 349.906 3.441 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867721 1303619749 /nfs/dbraw/zinc/61/97/49/1303619749.db2.gz LYLAREQUORQNMB-HNAYVOBHSA-N 2 2 349.906 3.441 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000775369811 1303948621 /nfs/dbraw/zinc/94/86/21/1303948621.db2.gz RFUKFNGODNXBCM-IRXDYDNUSA-N 3 2 344.503 3.473 20 0 EGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c[nH+]1 ZINC000775379320 1303949618 /nfs/dbraw/zinc/94/96/18/1303949618.db2.gz QJMQUENDNNWEQE-OIISXLGYSA-N 2 2 331.510 3.342 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778807387 1304494669 /nfs/dbraw/zinc/49/46/69/1304494669.db2.gz AHQMBTGIBWAYRI-GOSISDBHSA-N 2 2 329.444 3.208 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778807387 1304494674 /nfs/dbraw/zinc/49/46/74/1304494674.db2.gz AHQMBTGIBWAYRI-GOSISDBHSA-N 2 2 329.444 3.208 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000779078711 1304527071 /nfs/dbraw/zinc/52/70/71/1304527071.db2.gz PCTCZSGSKCJHFN-CVEARBPZSA-N 2 2 348.491 3.119 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCCOC1 ZINC000780724379 1304729015 /nfs/dbraw/zinc/72/90/15/1304729015.db2.gz KHESQQOXJLTTGU-DLBZAZTESA-N 2 2 331.504 3.126 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178050 1304926351 /nfs/dbraw/zinc/92/63/51/1304926351.db2.gz ZFQWSSGIQKFEBG-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178050 1304926356 /nfs/dbraw/zinc/92/63/56/1304926356.db2.gz ZFQWSSGIQKFEBG-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178050 1304926362 /nfs/dbraw/zinc/92/63/62/1304926362.db2.gz ZFQWSSGIQKFEBG-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178050 1304926365 /nfs/dbraw/zinc/92/63/65/1304926365.db2.gz ZFQWSSGIQKFEBG-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)C2CCC(C(C)(C)C)CC2)C1 ZINC000783975716 1305170763 /nfs/dbraw/zinc/17/07/63/1305170763.db2.gz GDKVHHPNILZGLD-KLAILNCOSA-N 2 2 346.519 3.230 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)C1 ZINC000783975716 1305170765 /nfs/dbraw/zinc/17/07/65/1305170765.db2.gz GDKVHHPNILZGLD-KLAILNCOSA-N 2 2 346.519 3.230 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892235935 1305290743 /nfs/dbraw/zinc/29/07/43/1305290743.db2.gz PZTKDYZZKISQRH-ICSRJNTNSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000892235935 1305290745 /nfs/dbraw/zinc/29/07/45/1305290745.db2.gz PZTKDYZZKISQRH-ICSRJNTNSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000892235935 1305290749 /nfs/dbraw/zinc/29/07/49/1305290749.db2.gz PZTKDYZZKISQRH-ICSRJNTNSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000892235935 1305290751 /nfs/dbraw/zinc/29/07/51/1305290751.db2.gz PZTKDYZZKISQRH-ICSRJNTNSA-N 2 2 328.504 3.132 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000892614004 1305470694 /nfs/dbraw/zinc/47/06/94/1305470694.db2.gz OONGFSCFMSVHAZ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000892614004 1305470703 /nfs/dbraw/zinc/47/07/03/1305470703.db2.gz OONGFSCFMSVHAZ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cnc1F ZINC000893137075 1305728168 /nfs/dbraw/zinc/72/81/68/1305728168.db2.gz YKVDTICCYMKIGH-UHFFFAOYSA-N 2 2 343.450 3.067 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788250671 1305908084 /nfs/dbraw/zinc/90/80/84/1305908084.db2.gz TXJVJOSYUBJFPI-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788250671 1305908095 /nfs/dbraw/zinc/90/80/95/1305908095.db2.gz TXJVJOSYUBJFPI-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H](C[NH2+][C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)[NH+](C)C ZINC000788593231 1305977047 /nfs/dbraw/zinc/97/70/47/1305977047.db2.gz GYQUTTRECZETGV-OIISXLGYSA-N 2 2 339.524 3.094 20 0 EGADLP Cc1nn(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1Cl ZINC000894113814 1306225994 /nfs/dbraw/zinc/22/59/94/1306225994.db2.gz RILZWBXLBPPMAL-UHFFFAOYSA-N 2 2 347.894 3.294 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790497168 1306338624 /nfs/dbraw/zinc/33/86/24/1306338624.db2.gz KZWNDWFOKDRBQC-PMPSAXMXSA-N 2 2 341.540 3.388 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790497168 1306338634 /nfs/dbraw/zinc/33/86/34/1306338634.db2.gz KZWNDWFOKDRBQC-PMPSAXMXSA-N 2 2 341.540 3.388 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000895495273 1309369993 /nfs/dbraw/zinc/36/99/93/1309369993.db2.gz PWVHQBXVLUOWTG-QGZVFWFLSA-N 2 2 349.906 3.298 20 0 EGADLP CCn1c[nH+]c2c1CCN(c1cc[nH+]c3cc(OC)c(OC)cc31)C2 ZINC000896654545 1309959171 /nfs/dbraw/zinc/95/91/71/1309959171.db2.gz OJXUVUVDMJSGSZ-UHFFFAOYSA-N 2 2 338.411 3.031 20 0 EGADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCCCC2)n1 ZINC000796758099 1310081203 /nfs/dbraw/zinc/08/12/03/1310081203.db2.gz BWAXDPUTIVSYFK-RBUKOAKNSA-N 2 2 346.519 3.264 20 0 EGADLP Cc1cc(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc(C)[nH+]1 ZINC000857290717 1328526646 /nfs/dbraw/zinc/52/66/46/1328526646.db2.gz KAEPAIFBQCIURP-HXUWFJFHSA-N 2 2 337.467 3.438 20 0 EGADLP Cc1cc(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cc(C)[nH+]1 ZINC000857290717 1328526648 /nfs/dbraw/zinc/52/66/48/1328526648.db2.gz KAEPAIFBQCIURP-HXUWFJFHSA-N 2 2 337.467 3.438 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)c[nH+]1 ZINC001019030777 1317014553 /nfs/dbraw/zinc/01/45/53/1317014553.db2.gz SXNZTLJRCVAELO-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000957075493 1317173470 /nfs/dbraw/zinc/17/34/70/1317173470.db2.gz WODXDXWRSVGHPQ-INIZCTEOSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000900000675 1317216717 /nfs/dbraw/zinc/21/67/17/1317216717.db2.gz RINBJEKPTQKKRF-YOEHRIQHSA-N 2 2 344.459 3.005 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1ccc2ccccc2c1 ZINC001019437205 1317243284 /nfs/dbraw/zinc/24/32/84/1317243284.db2.gz HPJFOSNTUQUQBS-KXBFYZLASA-N 2 2 348.450 3.057 20 0 EGADLP CC(C)c1cc(N2CCC3(CO[C@@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000900365645 1317282451 /nfs/dbraw/zinc/28/24/51/1317282451.db2.gz LTHNUZVKUKKIQX-OAHLLOKOSA-N 2 2 332.492 3.058 20 0 EGADLP CC[NH+]1CCC2(CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)CC1 ZINC000957581753 1317475990 /nfs/dbraw/zinc/47/59/90/1317475990.db2.gz RKTAVWYAZQLJME-UHFFFAOYSA-N 2 2 329.488 3.345 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000902374978 1317570626 /nfs/dbraw/zinc/57/06/26/1317570626.db2.gz SZZVLUDULILDLS-MSOLQXFVSA-N 2 2 330.451 3.016 20 0 EGADLP CCN(C(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000903196570 1317671528 /nfs/dbraw/zinc/67/15/28/1317671528.db2.gz AMNDTKXAJYVPFM-UHFFFAOYSA-N 2 2 343.515 3.426 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)cc1C ZINC001020388892 1317675181 /nfs/dbraw/zinc/67/51/81/1317675181.db2.gz QYJZCUCIPBTYNQ-IYARVYRRSA-N 2 2 348.450 3.002 20 0 EGADLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000903794530 1317736341 /nfs/dbraw/zinc/73/63/41/1317736341.db2.gz YPLPXJYUKSBYBU-UHFFFAOYSA-N 3 2 346.478 3.365 20 0 EGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000903822307 1317738312 /nfs/dbraw/zinc/73/83/12/1317738312.db2.gz ZEQHSXFPFLUZLW-IAGOWNOFSA-N 2 2 336.357 3.342 20 0 EGADLP Clc1ccc([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903884201 1317740649 /nfs/dbraw/zinc/74/06/49/1317740649.db2.gz USVFEIFRAKNXTR-WMZOPIPTSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccc([C@@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903884201 1317740652 /nfs/dbraw/zinc/74/06/52/1317740652.db2.gz USVFEIFRAKNXTR-WMZOPIPTSA-N 2 2 345.878 3.193 20 0 EGADLP C[NH2+][C@@H](CC(C)C)c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904088078 1317786760 /nfs/dbraw/zinc/78/67/60/1317786760.db2.gz KJUMDJFVKSCEMB-INIZCTEOSA-N 2 2 325.416 3.288 20 0 EGADLP C[C@H]1CCCN(C(=O)C2CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC2)C1 ZINC000904335255 1317832656 /nfs/dbraw/zinc/83/26/56/1317832656.db2.gz BILBJMNQIYKEPM-WMZOPIPTSA-N 2 2 337.552 3.111 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766511 1317896447 /nfs/dbraw/zinc/89/64/47/1317896447.db2.gz ZOOZCQXPRUUORV-GDBMZVCRSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766511 1317896455 /nfs/dbraw/zinc/89/64/55/1317896455.db2.gz ZOOZCQXPRUUORV-GDBMZVCRSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766511 1317896464 /nfs/dbraw/zinc/89/64/64/1317896464.db2.gz ZOOZCQXPRUUORV-GDBMZVCRSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766511 1317896472 /nfs/dbraw/zinc/89/64/72/1317896472.db2.gz ZOOZCQXPRUUORV-GDBMZVCRSA-N 2 2 348.491 3.201 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644213 1318503056 /nfs/dbraw/zinc/50/30/56/1318503056.db2.gz FIYDBYPYJYVLDC-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644213 1318503064 /nfs/dbraw/zinc/50/30/64/1318503064.db2.gz FIYDBYPYJYVLDC-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001021723439 1318612476 /nfs/dbraw/zinc/61/24/76/1318612476.db2.gz UMHGEDNUBUEHLG-WMZOPIPTSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001021723439 1318612482 /nfs/dbraw/zinc/61/24/82/1318612482.db2.gz UMHGEDNUBUEHLG-WMZOPIPTSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671985 1318785366 /nfs/dbraw/zinc/78/53/66/1318785366.db2.gz LAQAKNIBKMQADX-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671985 1318785384 /nfs/dbraw/zinc/78/53/84/1318785384.db2.gz LAQAKNIBKMQADX-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671985 1318785390 /nfs/dbraw/zinc/78/53/90/1318785390.db2.gz LAQAKNIBKMQADX-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671985 1318785398 /nfs/dbraw/zinc/78/53/98/1318785398.db2.gz LAQAKNIBKMQADX-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001022286777 1318877594 /nfs/dbraw/zinc/87/75/94/1318877594.db2.gz WFAKXVUFAVPFOE-HDICACEKSA-N 2 2 348.450 3.230 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960978215 1319112794 /nfs/dbraw/zinc/11/27/94/1319112794.db2.gz IEZKGKQFXIKXTP-KRWDZBQOSA-N 2 2 344.503 3.111 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960978215 1319112795 /nfs/dbraw/zinc/11/27/95/1319112795.db2.gz IEZKGKQFXIKXTP-KRWDZBQOSA-N 2 2 344.503 3.111 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001023161288 1319301943 /nfs/dbraw/zinc/30/19/43/1319301943.db2.gz UVEQJZNCQABPNZ-LZQZEXGQSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190603 1319304790 /nfs/dbraw/zinc/30/47/90/1319304790.db2.gz SEBPLWUQWPJNOU-HZPDHXFCSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961190603 1319304802 /nfs/dbraw/zinc/30/48/02/1319304802.db2.gz SEBPLWUQWPJNOU-HZPDHXFCSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000820813155 1319959623 /nfs/dbraw/zinc/95/96/23/1319959623.db2.gz ZNKCEULIJPXMJI-HNAYVOBHSA-N 2 2 348.450 3.299 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(F)ncc3F)CC2)cc1 ZINC000823943855 1320217729 /nfs/dbraw/zinc/21/77/29/1320217729.db2.gz OMFDGASHKTXKNS-UHFFFAOYSA-N 2 2 346.425 3.184 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000827519654 1320458227 /nfs/dbraw/zinc/45/82/27/1320458227.db2.gz QMUAPDFXIUQZBZ-ULQDDVLXSA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000827519654 1320458229 /nfs/dbraw/zinc/45/82/29/1320458229.db2.gz QMUAPDFXIUQZBZ-ULQDDVLXSA-N 2 2 339.524 3.096 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c2cc1Cl ZINC000842479081 1321393919 /nfs/dbraw/zinc/39/39/19/1321393919.db2.gz UQKSXYNJKRCTPC-SWLSCSKDSA-N 2 2 348.874 3.426 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c2cc1Cl ZINC000842479081 1321393923 /nfs/dbraw/zinc/39/39/23/1321393923.db2.gz UQKSXYNJKRCTPC-SWLSCSKDSA-N 2 2 348.874 3.426 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000844171879 1321575350 /nfs/dbraw/zinc/57/53/50/1321575350.db2.gz MWOSVURNRPOPHS-ROUUACIJSA-N 2 2 348.535 3.492 20 0 EGADLP CCN(c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1)C(C)C ZINC000844224965 1321580241 /nfs/dbraw/zinc/58/02/41/1321580241.db2.gz WQAUHELHKLBVAW-GOSISDBHSA-N 2 2 346.519 3.063 20 0 EGADLP CCN(c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1)C(C)C ZINC000844224965 1321580245 /nfs/dbraw/zinc/58/02/45/1321580245.db2.gz WQAUHELHKLBVAW-GOSISDBHSA-N 2 2 346.519 3.063 20 0 EGADLP C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000845929416 1321755008 /nfs/dbraw/zinc/75/50/08/1321755008.db2.gz UKPGJFMSUXNUHU-KLAILNCOSA-N 2 2 339.524 3.144 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1(Br)CC1 ZINC000846835596 1321815014 /nfs/dbraw/zinc/81/50/14/1321815014.db2.gz XSKNNVKVWZXEFP-UHFFFAOYSA-N 2 2 325.294 3.414 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1(Br)CC1 ZINC000846835596 1321815017 /nfs/dbraw/zinc/81/50/17/1321815017.db2.gz XSKNNVKVWZXEFP-UHFFFAOYSA-N 2 2 325.294 3.414 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000848529707 1321970353 /nfs/dbraw/zinc/97/03/53/1321970353.db2.gz QEZCIFMWBPXFCC-LJQANCHMSA-N 2 2 339.487 3.043 20 0 EGADLP CC(C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000849062234 1322063317 /nfs/dbraw/zinc/06/33/17/1322063317.db2.gz WWWSGLMZHLNXPQ-KRWDZBQOSA-N 2 2 342.512 3.370 20 0 EGADLP CC(C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000849062234 1322063325 /nfs/dbraw/zinc/06/33/25/1322063325.db2.gz WWWSGLMZHLNXPQ-KRWDZBQOSA-N 2 2 342.512 3.370 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000849350393 1322117198 /nfs/dbraw/zinc/11/71/98/1322117198.db2.gz GOHPCVGJFLJLEY-HNNXBMFYSA-N 2 2 339.524 3.286 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000849350393 1322117200 /nfs/dbraw/zinc/11/72/00/1322117200.db2.gz GOHPCVGJFLJLEY-HNNXBMFYSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491842 1322257831 /nfs/dbraw/zinc/25/78/31/1322257831.db2.gz AGOORHFJNLJOCP-OAGGEKHMSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491842 1322257835 /nfs/dbraw/zinc/25/78/35/1322257835.db2.gz AGOORHFJNLJOCP-OAGGEKHMSA-N 2 2 339.524 3.237 20 0 EGADLP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000930963450 1329016655 /nfs/dbraw/zinc/01/66/55/1329016655.db2.gz VJERDVYFUDXCMS-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(Br)n2)CC1 ZINC000924577649 1323061141 /nfs/dbraw/zinc/06/11/41/1323061141.db2.gz LLCXQARZEAIQFK-LBPRGKRZSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ncnn21 ZINC000924586150 1323064329 /nfs/dbraw/zinc/06/43/29/1323064329.db2.gz HQNNGMCECGKJCY-CRAIPNDOSA-N 2 2 325.460 3.060 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000924647109 1323091683 /nfs/dbraw/zinc/09/16/83/1323091683.db2.gz YMGVVSNGCILEAM-MRXNPFEDSA-N 3 2 326.488 3.174 20 0 EGADLP C[N@@H+](CC=C(Cl)Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000851802899 1323092635 /nfs/dbraw/zinc/09/26/35/1323092635.db2.gz MWHKUKOFFFKJBI-UHFFFAOYSA-N 3 2 348.362 3.434 20 0 EGADLP C[N@H+](CC=C(Cl)Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000851802899 1323092645 /nfs/dbraw/zinc/09/26/45/1323092645.db2.gz MWHKUKOFFFKJBI-UHFFFAOYSA-N 3 2 348.362 3.434 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667488 1323102621 /nfs/dbraw/zinc/10/26/21/1323102621.db2.gz KTEGAUOTJIHQBR-GJYPPUQNSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667488 1323102624 /nfs/dbraw/zinc/10/26/24/1323102624.db2.gz KTEGAUOTJIHQBR-GJYPPUQNSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(Br)ccc1F ZINC000924730806 1323137217 /nfs/dbraw/zinc/13/72/17/1323137217.db2.gz GVBSRXOLNZZGFU-LLVKDONJSA-N 2 2 341.228 3.311 20 0 EGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000924845686 1323185731 /nfs/dbraw/zinc/18/57/31/1323185731.db2.gz HPJDCWAUQGHAHM-INIZCTEOSA-N 2 2 327.476 3.182 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853094144 1323277419 /nfs/dbraw/zinc/27/74/19/1323277419.db2.gz YSVNSSVURWNEQJ-OAHLLOKOSA-N 2 2 338.927 3.409 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853094144 1323277431 /nfs/dbraw/zinc/27/74/31/1323277431.db2.gz YSVNSSVURWNEQJ-OAHLLOKOSA-N 2 2 338.927 3.409 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439767 1323401442 /nfs/dbraw/zinc/40/14/42/1323401442.db2.gz GSJMRANBXSFPNC-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439767 1323401449 /nfs/dbraw/zinc/40/14/49/1323401449.db2.gz GSJMRANBXSFPNC-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245147 1324043768 /nfs/dbraw/zinc/04/37/68/1324043768.db2.gz LTJRVHLNVHNQRA-QZTJIDSGSA-N 2 2 326.444 3.042 20 0 EGADLP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245147 1324043775 /nfs/dbraw/zinc/04/37/75/1324043775.db2.gz LTJRVHLNVHNQRA-QZTJIDSGSA-N 2 2 326.444 3.042 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273103 1324088198 /nfs/dbraw/zinc/08/81/98/1324088198.db2.gz OBCUFMHEDXMNOH-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025273103 1324088201 /nfs/dbraw/zinc/08/82/01/1324088201.db2.gz OBCUFMHEDXMNOH-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457417 1324298278 /nfs/dbraw/zinc/29/82/78/1324298278.db2.gz CANBEEVZVXEDMQ-JKSUJKDBSA-N 2 2 340.471 3.359 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457417 1324298283 /nfs/dbraw/zinc/29/82/83/1324298283.db2.gz CANBEEVZVXEDMQ-JKSUJKDBSA-N 2 2 340.471 3.359 20 0 EGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925135529 1325059548 /nfs/dbraw/zinc/05/95/48/1325059548.db2.gz XSDQBUAJNSTGNK-AWEZNQCLSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925135529 1325059557 /nfs/dbraw/zinc/05/95/57/1325059557.db2.gz XSDQBUAJNSTGNK-AWEZNQCLSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1CC[C@H](C2CCCCC2)C1=O ZINC000853502383 1325106479 /nfs/dbraw/zinc/10/64/79/1325106479.db2.gz YMKYASMMFBLJTL-RBUKOAKNSA-N 2 2 344.503 3.042 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1CC[C@H](C2CCCCC2)C1=O ZINC000853502383 1325106487 /nfs/dbraw/zinc/10/64/87/1325106487.db2.gz YMKYASMMFBLJTL-RBUKOAKNSA-N 2 2 344.503 3.042 20 0 EGADLP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc(COC2CCOCC2)c1 ZINC000925478869 1325169131 /nfs/dbraw/zinc/16/91/31/1325169131.db2.gz OZBYMODAZNVURR-FQEVSTJZSA-N 2 2 344.499 3.147 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853998832 1325199736 /nfs/dbraw/zinc/19/97/36/1325199736.db2.gz DGFZGNRYNDTGPW-OAHLLOKOSA-N 2 2 342.491 3.115 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853998832 1325199741 /nfs/dbraw/zinc/19/97/41/1325199741.db2.gz DGFZGNRYNDTGPW-OAHLLOKOSA-N 2 2 342.491 3.115 20 0 EGADLP CC(C)C[C@H](C[NH3+])Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000854136959 1325217940 /nfs/dbraw/zinc/21/79/40/1325217940.db2.gz JESNPTGLAMBVAS-INIZCTEOSA-N 2 2 339.443 3.145 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442397 1325249699 /nfs/dbraw/zinc/24/96/99/1325249699.db2.gz QLVWILYOPWLFJU-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442397 1325249706 /nfs/dbraw/zinc/24/97/06/1325249706.db2.gz QLVWILYOPWLFJU-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP O[C@H](c1ccccc1)[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000925668006 1325255988 /nfs/dbraw/zinc/25/59/88/1325255988.db2.gz DZRZXHSPJXTTKQ-YMSNJSLYSA-N 2 2 334.463 3.047 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1cnnn1-c1ccccc1)[NH+]1CCCCC1 ZINC000926147160 1325447439 /nfs/dbraw/zinc/44/74/39/1325447439.db2.gz YNIKNSAMDINCAW-SJORKVTESA-N 2 2 327.476 3.182 20 0 EGADLP CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001027462734 1327711264 /nfs/dbraw/zinc/71/12/64/1327711264.db2.gz IWXASVQLWGFVAN-VMBOVVBDSA-N 2 2 340.471 3.145 20 0 EGADLP CC1CC(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001027462734 1327711267 /nfs/dbraw/zinc/71/12/67/1327711267.db2.gz IWXASVQLWGFVAN-VMBOVVBDSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927107082 1327867456 /nfs/dbraw/zinc/86/74/56/1327867456.db2.gz BMWUZNCGYNYWJQ-VQIMIIECSA-N 2 2 338.499 3.298 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927107082 1327867461 /nfs/dbraw/zinc/86/74/61/1327867461.db2.gz BMWUZNCGYNYWJQ-VQIMIIECSA-N 2 2 338.499 3.298 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916963 1328471115 /nfs/dbraw/zinc/47/11/15/1328471115.db2.gz ULBFRZXJLICWFD-KBXCAEBGSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916963 1328471119 /nfs/dbraw/zinc/47/11/19/1328471119.db2.gz ULBFRZXJLICWFD-KBXCAEBGSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000865413162 1329693600 /nfs/dbraw/zinc/69/36/00/1329693600.db2.gz ZQRLYFYHDCVIIL-OAHLLOKOSA-N 2 2 344.459 3.086 20 0 EGADLP FC1(C2CC2)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000932623991 1329828432 /nfs/dbraw/zinc/82/84/32/1329828432.db2.gz FAGBDCJRJRYCCL-UHFFFAOYSA-N 2 2 332.463 3.233 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932702373 1329835339 /nfs/dbraw/zinc/83/53/39/1329835339.db2.gz QERNSRHITKTBJX-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932702373 1329835341 /nfs/dbraw/zinc/83/53/41/1329835341.db2.gz QERNSRHITKTBJX-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183155 1331866254 /nfs/dbraw/zinc/86/62/54/1331866254.db2.gz GMPFIAMXZHERPS-ZBFHGGJFSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183155 1331866256 /nfs/dbraw/zinc/86/62/56/1331866256.db2.gz GMPFIAMXZHERPS-ZBFHGGJFSA-N 2 2 342.487 3.439 20 0 EGADLP CCC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946690435 1332878138 /nfs/dbraw/zinc/87/81/38/1332878138.db2.gz QVOGDJSYRYVRSD-HDICACEKSA-N 2 2 329.488 3.201 20 0 EGADLP CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC[C@@H]2C1 ZINC000946690435 1332878141 /nfs/dbraw/zinc/87/81/41/1332878141.db2.gz QVOGDJSYRYVRSD-HDICACEKSA-N 2 2 329.488 3.201 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)[C@H](C)C2)c[nH+]1 ZINC000947442362 1333129028 /nfs/dbraw/zinc/12/90/28/1333129028.db2.gz USNUDRJMCNERCN-IAGOWNOFSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)[C@H](C)C2)c[nH+]1 ZINC000947442362 1333129033 /nfs/dbraw/zinc/12/90/33/1333129033.db2.gz USNUDRJMCNERCN-IAGOWNOFSA-N 2 2 348.535 3.332 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449924 1333132594 /nfs/dbraw/zinc/13/25/94/1333132594.db2.gz LMAWYTMYGRZHFA-GOEBONIOSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449924 1333132595 /nfs/dbraw/zinc/13/25/95/1333132595.db2.gz LMAWYTMYGRZHFA-GOEBONIOSA-N 2 2 328.460 3.192 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947571459 1333176258 /nfs/dbraw/zinc/17/62/58/1333176258.db2.gz FILNMMXKTPLMPO-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947571459 1333176261 /nfs/dbraw/zinc/17/62/61/1333176261.db2.gz FILNMMXKTPLMPO-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947863140 1333283990 /nfs/dbraw/zinc/28/39/90/1333283990.db2.gz XBTVQVFZRFTZSX-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCC1CCCCCC1 ZINC000947863140 1333283991 /nfs/dbraw/zinc/28/39/91/1333283991.db2.gz XBTVQVFZRFTZSX-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947979180 1333330224 /nfs/dbraw/zinc/33/02/24/1333330224.db2.gz BXDOAZKWBZDRFW-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947979180 1333330226 /nfs/dbraw/zinc/33/02/26/1333330226.db2.gz BXDOAZKWBZDRFW-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP CCN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950890482 1334147383 /nfs/dbraw/zinc/14/73/83/1334147383.db2.gz HKGMCRJMCUXEDL-INIZCTEOSA-N 2 2 348.450 3.242 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950962601 1334161217 /nfs/dbraw/zinc/16/12/17/1334161217.db2.gz SVACPIBUSYJIEO-ROUUACIJSA-N 2 2 340.471 3.048 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001205008885 1370626850 /nfs/dbraw/zinc/62/68/50/1370626850.db2.gz GKGMVADEDUZEQG-GFCCVEGCSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001205008885 1370626856 /nfs/dbraw/zinc/62/68/56/1370626856.db2.gz GKGMVADEDUZEQG-GFCCVEGCSA-N 2 2 336.277 3.362 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCCC[N@H+]3CC(C)C)ccn12 ZINC000968858369 1336070554 /nfs/dbraw/zinc/07/05/54/1336070554.db2.gz CNAHBHBDZITWPU-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCCC[N@@H+]3CC(C)C)ccn12 ZINC000968858369 1336070556 /nfs/dbraw/zinc/07/05/56/1336070556.db2.gz CNAHBHBDZITWPU-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@@H](F)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920823 1336089506 /nfs/dbraw/zinc/08/95/06/1336089506.db2.gz ZFOGPAITKDXXIO-GDBMZVCRSA-N 2 2 346.450 3.285 20 0 EGADLP C[C@@H](F)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920823 1336089507 /nfs/dbraw/zinc/08/95/07/1336089507.db2.gz ZFOGPAITKDXXIO-GDBMZVCRSA-N 2 2 346.450 3.285 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+][C@H]3CCc4ccccc43)C2)c(C)[nH+]1 ZINC000969408673 1336207738 /nfs/dbraw/zinc/20/77/38/1336207738.db2.gz RSLTWSNXPQMFLC-QUCCMNQESA-N 2 2 349.478 3.498 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001007635728 1336681652 /nfs/dbraw/zinc/68/16/52/1336681652.db2.gz IGYBISMLFBWIES-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001007635728 1336681654 /nfs/dbraw/zinc/68/16/54/1336681654.db2.gz IGYBISMLFBWIES-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP CCc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939304 1337960397 /nfs/dbraw/zinc/96/03/97/1337960397.db2.gz CMBKDQAZPLNYOQ-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939304 1337960401 /nfs/dbraw/zinc/96/04/01/1337960401.db2.gz CMBKDQAZPLNYOQ-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC([C@@H](C)[NH2+]CC3CC3)CC2)c(C)[nH+]1 ZINC001029122234 1340935089 /nfs/dbraw/zinc/93/50/89/1340935089.db2.gz FGZVSUNGYOBDDA-OAHLLOKOSA-N 2 2 329.488 3.247 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029768536 1341067555 /nfs/dbraw/zinc/06/75/55/1341067555.db2.gz DMJBVSOCDDMQEL-QGZVFWFLSA-N 2 2 348.450 3.157 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029768536 1341067557 /nfs/dbraw/zinc/06/75/57/1341067557.db2.gz DMJBVSOCDDMQEL-QGZVFWFLSA-N 2 2 348.450 3.157 20 0 EGADLP C[N@H+](CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)CC1CCCCCC1 ZINC001030015736 1341159169 /nfs/dbraw/zinc/15/91/69/1341159169.db2.gz MHVJDTBZSUOZNW-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)CC1CCCCCC1 ZINC001030015736 1341159170 /nfs/dbraw/zinc/15/91/70/1341159170.db2.gz MHVJDTBZSUOZNW-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030301880 1341176835 /nfs/dbraw/zinc/17/68/35/1341176835.db2.gz RTTWNDGMZSSEGI-PXNSSMCTSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030301880 1341176836 /nfs/dbraw/zinc/17/68/36/1341176836.db2.gz RTTWNDGMZSSEGI-PXNSSMCTSA-N 2 2 343.515 3.038 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001030590068 1341199650 /nfs/dbraw/zinc/19/96/50/1341199650.db2.gz FFHWUCACBKFPTE-HXUWFJFHSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031843917 1341410801 /nfs/dbraw/zinc/41/08/01/1341410801.db2.gz QRTGMFTVEFAAHV-INIZCTEOSA-N 2 2 348.450 3.066 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033191625 1341748606 /nfs/dbraw/zinc/74/86/06/1341748606.db2.gz JKAYQSZURBLXQW-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033191625 1341748608 /nfs/dbraw/zinc/74/86/08/1341748608.db2.gz JKAYQSZURBLXQW-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299210 1341770465 /nfs/dbraw/zinc/77/04/65/1341770465.db2.gz ARGFNJVZZGANRW-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299210 1341770466 /nfs/dbraw/zinc/77/04/66/1341770466.db2.gz ARGFNJVZZGANRW-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@@H+](CCC(C)C)C3)ccn12 ZINC001034206977 1342316941 /nfs/dbraw/zinc/31/69/41/1342316941.db2.gz NVNQNXIDQUGCOU-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@H+](CCC(C)C)C3)ccn12 ZINC001034206977 1342316946 /nfs/dbraw/zinc/31/69/46/1342316946.db2.gz NVNQNXIDQUGCOU-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP O=C(N[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034272516 1342363870 /nfs/dbraw/zinc/36/38/70/1342363870.db2.gz UKWCEGIDJCIKDZ-SFHVURJKSA-N 2 2 348.450 3.347 20 0 EGADLP O=C(N[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034272516 1342363873 /nfs/dbraw/zinc/36/38/73/1342363873.db2.gz UKWCEGIDJCIKDZ-SFHVURJKSA-N 2 2 348.450 3.347 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328570 1342403334 /nfs/dbraw/zinc/40/33/34/1342403334.db2.gz XMUMXUOSSXHQGT-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328570 1342403336 /nfs/dbraw/zinc/40/33/36/1342403336.db2.gz XMUMXUOSSXHQGT-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001034992760 1342867389 /nfs/dbraw/zinc/86/73/89/1342867389.db2.gz HNTQFYSNLGUPGA-FUHWJXTLSA-N 2 2 348.450 3.290 20 0 EGADLP CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001036442777 1343490587 /nfs/dbraw/zinc/49/05/87/1343490587.db2.gz QHSMLXSPEVZLHP-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001036454576 1343496200 /nfs/dbraw/zinc/49/62/00/1343496200.db2.gz DAPCRCMXNZSHKS-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001037046846 1343947613 /nfs/dbraw/zinc/94/76/13/1343947613.db2.gz PXWOOHORHSEEPI-ZWKOTPCHSA-N 2 2 329.488 3.295 20 0 EGADLP O=C(N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1cccc2[nH+]ccn21 ZINC001037212382 1344046116 /nfs/dbraw/zinc/04/61/16/1344046116.db2.gz GGGKBZFRMGRIHL-SJORKVTESA-N 2 2 340.471 3.013 20 0 EGADLP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001037218352 1344050212 /nfs/dbraw/zinc/05/02/12/1344050212.db2.gz XSPFGKCOWMMSKJ-MJGOQNOKSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001037246406 1344066341 /nfs/dbraw/zinc/06/63/41/1344066341.db2.gz LGQQDSPAFURWJB-QZTJIDSGSA-N 2 2 344.503 3.026 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037848704 1344136016 /nfs/dbraw/zinc/13/60/16/1344136016.db2.gz CPFSVMSOMYNDKD-IEBWSBKVSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037848704 1344136020 /nfs/dbraw/zinc/13/60/20/1344136020.db2.gz CPFSVMSOMYNDKD-IEBWSBKVSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001037923472 1344183328 /nfs/dbraw/zinc/18/33/28/1344183328.db2.gz BEUAWOLGISITSS-IEBWSBKVSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037933936 1344189821 /nfs/dbraw/zinc/18/98/21/1344189821.db2.gz NEKRUVDJIIMKKJ-HKUYNNGSSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415700 1344419362 /nfs/dbraw/zinc/41/93/62/1344419362.db2.gz ISERDYOLAOGIHR-QAPCUYQASA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415700 1344419363 /nfs/dbraw/zinc/41/93/63/1344419363.db2.gz ISERDYOLAOGIHR-QAPCUYQASA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415692 1344419896 /nfs/dbraw/zinc/41/98/96/1344419896.db2.gz IRLURXNCJQTINA-KRWDZBQOSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cccc(C)c1C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415692 1344419901 /nfs/dbraw/zinc/41/99/01/1344419901.db2.gz IRLURXNCJQTINA-KRWDZBQOSA-N 2 2 348.450 3.184 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223710 1344941333 /nfs/dbraw/zinc/94/13/33/1344941333.db2.gz XZGOUVVQDYBTQH-MSOLQXFVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223710 1344941335 /nfs/dbraw/zinc/94/13/35/1344941335.db2.gz XZGOUVVQDYBTQH-MSOLQXFVSA-N 2 2 344.503 3.012 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236531 1344958365 /nfs/dbraw/zinc/95/83/65/1344958365.db2.gz DEWWWOYUGWFRNP-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236531 1344958367 /nfs/dbraw/zinc/95/83/67/1344958367.db2.gz DEWWWOYUGWFRNP-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039279790 1344994654 /nfs/dbraw/zinc/99/46/54/1344994654.db2.gz WFXLFDPTUFYIEK-MQVJKMGUSA-N 2 2 326.444 3.088 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407823 1345720386 /nfs/dbraw/zinc/72/03/86/1345720386.db2.gz RPAWAOKDGUFVFE-QRWLVFNGSA-N 2 2 340.471 3.147 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407823 1345720388 /nfs/dbraw/zinc/72/03/88/1345720388.db2.gz RPAWAOKDGUFVFE-QRWLVFNGSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116093 1345948585 /nfs/dbraw/zinc/94/85/85/1345948585.db2.gz HESVJANNCKXSQO-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042116093 1345948587 /nfs/dbraw/zinc/94/85/87/1345948587.db2.gz HESVJANNCKXSQO-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042118014 1345948923 /nfs/dbraw/zinc/94/89/23/1345948923.db2.gz UUIGWFWAYVEEAD-BEFAXECRSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042118014 1345948924 /nfs/dbraw/zinc/94/89/24/1345948924.db2.gz UUIGWFWAYVEEAD-BEFAXECRSA-N 2 2 338.455 3.066 20 0 EGADLP CN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC001042822545 1346119469 /nfs/dbraw/zinc/11/94/69/1346119469.db2.gz ZKAHALSGPIVJDE-UHFFFAOYSA-N 2 2 347.528 3.066 20 0 EGADLP CC1CCC(C[NH+]2CC(N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001043091431 1346139553 /nfs/dbraw/zinc/13/95/53/1346139553.db2.gz KPSMCIDHKNSWAU-UHFFFAOYSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001045118231 1346497998 /nfs/dbraw/zinc/49/79/98/1346497998.db2.gz HNTQFYSNLGUPGA-WMZOPIPTSA-N 2 2 348.450 3.290 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001045476131 1346603178 /nfs/dbraw/zinc/60/31/78/1346603178.db2.gz COLSSESUUOJTAK-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987453 1346829055 /nfs/dbraw/zinc/82/90/55/1346829055.db2.gz RROACHLSNPFRGD-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987453 1346829057 /nfs/dbraw/zinc/82/90/57/1346829057.db2.gz RROACHLSNPFRGD-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258294 1347281202 /nfs/dbraw/zinc/28/12/02/1347281202.db2.gz YNJGYJJAGPUPHS-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598909 1348590968 /nfs/dbraw/zinc/59/09/68/1348590968.db2.gz QEXPOJTZECIHNK-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598909 1348590971 /nfs/dbraw/zinc/59/09/71/1348590971.db2.gz QEXPOJTZECIHNK-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096829 1348926959 /nfs/dbraw/zinc/92/69/59/1348926959.db2.gz AFFUZCJIXIEMDN-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096829 1348926965 /nfs/dbraw/zinc/92/69/65/1348926965.db2.gz AFFUZCJIXIEMDN-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098015 1348929343 /nfs/dbraw/zinc/92/93/43/1348929343.db2.gz JDTNNFXAGRKGTD-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098015 1348929347 /nfs/dbraw/zinc/92/93/47/1348929347.db2.gz JDTNNFXAGRKGTD-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP Clc1cc(Cl)c(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235036908 1376836717 /nfs/dbraw/zinc/83/67/17/1376836717.db2.gz PDGGRQIIXZMJHD-QMTHXVAHSA-N 2 2 349.689 3.457 20 0 EGADLP Clc1cc(Cl)c(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235036908 1376836724 /nfs/dbraw/zinc/83/67/24/1376836724.db2.gz PDGGRQIIXZMJHD-QMTHXVAHSA-N 2 2 349.689 3.457 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001071608296 1354792903 /nfs/dbraw/zinc/79/29/03/1354792903.db2.gz VYCARYPPQRZRRG-IAGOWNOFSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001071608296 1354792905 /nfs/dbraw/zinc/79/29/05/1354792905.db2.gz VYCARYPPQRZRRG-IAGOWNOFSA-N 2 2 348.535 3.332 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001183496580 1387313383 /nfs/dbraw/zinc/31/33/83/1387313383.db2.gz NVYHOAFCELLWQC-MSOLQXFVSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001183496239 1387313437 /nfs/dbraw/zinc/31/34/37/1387313437.db2.gz LOKASBGMDUPIEZ-MOPGFXCFSA-N 2 2 344.503 3.161 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085232159 1358438769 /nfs/dbraw/zinc/43/87/69/1358438769.db2.gz NYRSVVOAKHXBCP-BRSBDYLESA-N 2 2 342.487 3.031 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085232159 1358438773 /nfs/dbraw/zinc/43/87/73/1358438773.db2.gz NYRSVVOAKHXBCP-BRSBDYLESA-N 2 2 342.487 3.031 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001085327184 1358468580 /nfs/dbraw/zinc/46/85/80/1358468580.db2.gz BJXWXSQSGAZDJA-BRWVUGGUSA-N 2 2 344.503 3.037 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673000 1358677021 /nfs/dbraw/zinc/67/70/21/1358677021.db2.gz NJAQDFWNCUKGJT-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673000 1358677035 /nfs/dbraw/zinc/67/70/35/1358677035.db2.gz NJAQDFWNCUKGJT-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001183920046 1387370733 /nfs/dbraw/zinc/37/07/33/1387370733.db2.gz UDTGTZWQNXSDMP-KCLUMXDGSA-N 2 2 329.532 3.327 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001183920046 1387370734 /nfs/dbraw/zinc/37/07/34/1387370734.db2.gz UDTGTZWQNXSDMP-KCLUMXDGSA-N 2 2 329.532 3.327 20 0 EGADLP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001086932689 1359256238 /nfs/dbraw/zinc/25/62/38/1359256238.db2.gz RAMMFLDCMOLBQU-MRXNPFEDSA-N 2 2 340.471 3.059 20 0 EGADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087219576 1359324180 /nfs/dbraw/zinc/32/41/80/1359324180.db2.gz DQBQCLWNMFDPOM-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087292877 1359373793 /nfs/dbraw/zinc/37/37/93/1359373793.db2.gz TXPDKWNPMNOFPS-JLSDUUJJSA-N 2 2 340.471 3.192 20 0 EGADLP CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C(C)(C)[C@H]21 ZINC001087292877 1359373795 /nfs/dbraw/zinc/37/37/95/1359373795.db2.gz TXPDKWNPMNOFPS-JLSDUUJJSA-N 2 2 340.471 3.192 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccnc2N(C)C)cc1F ZINC001323710040 1387427366 /nfs/dbraw/zinc/42/73/66/1387427366.db2.gz BGVWKPDJSJGPOP-UHFFFAOYSA-N 2 2 339.418 3.071 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccsc1 ZINC001088663500 1360005870 /nfs/dbraw/zinc/00/58/70/1360005870.db2.gz FTXBBVGNZMNGQP-DOMZBBRYSA-N 2 2 340.452 3.017 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccsc1 ZINC001088663500 1360005912 /nfs/dbraw/zinc/00/59/12/1360005912.db2.gz FTXBBVGNZMNGQP-DOMZBBRYSA-N 2 2 340.452 3.017 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001184651378 1387503075 /nfs/dbraw/zinc/50/30/75/1387503075.db2.gz DOTYWQAOPNUTFZ-ZBFHGGJFSA-N 2 2 340.471 3.051 20 0 EGADLP CCCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184852127 1387549473 /nfs/dbraw/zinc/54/94/73/1387549473.db2.gz SYZPGTSKKRPDNB-CRAIPNDOSA-N 2 2 331.504 3.495 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099324516 1363751190 /nfs/dbraw/zinc/75/11/90/1363751190.db2.gz NKXCXBHJKRRSJW-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099324516 1363751193 /nfs/dbraw/zinc/75/11/93/1363751193.db2.gz NKXCXBHJKRRSJW-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[N@H+](CCC2CCCC2)C1 ZINC001099358491 1363772026 /nfs/dbraw/zinc/77/20/26/1363772026.db2.gz HUDQPSSXOYSXHQ-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CCC2CCCC2)C1 ZINC001099358491 1363772027 /nfs/dbraw/zinc/77/20/27/1363772027.db2.gz HUDQPSSXOYSXHQ-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)[N@H+](CCCC2CCC2)C1 ZINC001099360550 1363773452 /nfs/dbraw/zinc/77/34/52/1363773452.db2.gz YPNLUJJHYOYENC-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CCCC2CCC2)C1 ZINC001099360550 1363773457 /nfs/dbraw/zinc/77/34/57/1363773457.db2.gz YPNLUJJHYOYENC-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103136772 1365401820 /nfs/dbraw/zinc/40/18/20/1365401820.db2.gz RAIRUCSUSOUJPA-JFIYKMOQSA-N 2 2 348.535 3.047 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103136772 1365401822 /nfs/dbraw/zinc/40/18/22/1365401822.db2.gz RAIRUCSUSOUJPA-JFIYKMOQSA-N 2 2 348.535 3.047 20 0 EGADLP CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104665172 1366123770 /nfs/dbraw/zinc/12/37/70/1366123770.db2.gz OSUMNQWRCDHSNA-ZACQAIPSSA-N 2 2 346.519 3.094 20 0 EGADLP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532368 1366513978 /nfs/dbraw/zinc/51/39/78/1366513978.db2.gz KYNVCAKZGPRTSX-KRWDZBQOSA-N 2 2 346.519 3.283 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105582476 1366543331 /nfs/dbraw/zinc/54/33/31/1366543331.db2.gz SWWAJMCIJDBNRW-SFHVURJKSA-N 2 2 346.519 3.213 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582215 1366543352 /nfs/dbraw/zinc/54/33/52/1366543352.db2.gz QLPNZFHVNCPTPT-QZTJIDSGSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710342 1366778361 /nfs/dbraw/zinc/77/83/61/1366778361.db2.gz GSUZORIQVULFJW-KZNAEPCWSA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386372 1366948987 /nfs/dbraw/zinc/94/89/87/1366948987.db2.gz PCRKMHZSVAIWIK-OQRUQETBSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386372 1366948989 /nfs/dbraw/zinc/94/89/89/1366948989.db2.gz PCRKMHZSVAIWIK-OQRUQETBSA-N 2 2 344.503 3.059 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001109223250 1367012434 /nfs/dbraw/zinc/01/24/34/1367012434.db2.gz RQDARHWVOOPYED-SQNIBIBYSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001109223250 1367012436 /nfs/dbraw/zinc/01/24/36/1367012436.db2.gz RQDARHWVOOPYED-SQNIBIBYSA-N 2 2 344.503 3.034 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561356 1367044628 /nfs/dbraw/zinc/04/46/28/1367044628.db2.gz IPOCBCLTCVEMCR-QWFCFKBJSA-N 2 2 344.503 3.161 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561356 1367044631 /nfs/dbraw/zinc/04/46/31/1367044631.db2.gz IPOCBCLTCVEMCR-QWFCFKBJSA-N 2 2 344.503 3.161 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433379 1367118753 /nfs/dbraw/zinc/11/87/53/1367118753.db2.gz LOXXMKKTJYLVCI-YDZRNGNQSA-N 2 2 346.519 3.382 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433379 1367118756 /nfs/dbraw/zinc/11/87/56/1367118756.db2.gz LOXXMKKTJYLVCI-YDZRNGNQSA-N 2 2 346.519 3.382 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001109773022 1367315329 /nfs/dbraw/zinc/31/53/29/1367315329.db2.gz BURNSLQBDPNPMK-YSHGAJCASA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001109773022 1367315332 /nfs/dbraw/zinc/31/53/32/1367315332.db2.gz BURNSLQBDPNPMK-YSHGAJCASA-N 2 2 344.503 3.136 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109825000 1367342452 /nfs/dbraw/zinc/34/24/52/1367342452.db2.gz RNYKREOFKAEUKS-RANZSIQMSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109825000 1367342456 /nfs/dbraw/zinc/34/24/56/1367342456.db2.gz RNYKREOFKAEUKS-RANZSIQMSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109825000 1367342461 /nfs/dbraw/zinc/34/24/61/1367342461.db2.gz RNYKREOFKAEUKS-RANZSIQMSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109825000 1367342467 /nfs/dbraw/zinc/34/24/67/1367342467.db2.gz RNYKREOFKAEUKS-RANZSIQMSA-N 2 2 346.519 3.136 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899188 1368543922 /nfs/dbraw/zinc/54/39/22/1368543922.db2.gz HRXQBSFVVBOOTL-ZWOKBUDYSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899188 1368543926 /nfs/dbraw/zinc/54/39/26/1368543926.db2.gz HRXQBSFVVBOOTL-ZWOKBUDYSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899188 1368543930 /nfs/dbraw/zinc/54/39/30/1368543930.db2.gz HRXQBSFVVBOOTL-ZWOKBUDYSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899188 1368543933 /nfs/dbraw/zinc/54/39/33/1368543933.db2.gz HRXQBSFVVBOOTL-ZWOKBUDYSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537312 1368919097 /nfs/dbraw/zinc/91/90/97/1368919097.db2.gz ABKFOJLQTIPXLD-BJLQDIEVSA-N 2 2 346.519 3.243 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1)n1cc[nH+]c1 ZINC001112994616 1369127507 /nfs/dbraw/zinc/12/75/07/1369127507.db2.gz CQIVONODJWHDOP-RBUKOAKNSA-N 2 2 348.535 3.297 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001199266299 1369200229 /nfs/dbraw/zinc/20/02/29/1369200229.db2.gz GXFPGUZONLEUAZ-ROUUACIJSA-N 2 2 345.531 3.374 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001199266299 1369200234 /nfs/dbraw/zinc/20/02/34/1369200234.db2.gz GXFPGUZONLEUAZ-ROUUACIJSA-N 2 2 345.531 3.374 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001200822109 1369433931 /nfs/dbraw/zinc/43/39/31/1369433931.db2.gz RIRTVULUHOPDBV-YLJYHZDGSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001200822109 1369433932 /nfs/dbraw/zinc/43/39/32/1369433932.db2.gz RIRTVULUHOPDBV-YLJYHZDGSA-N 2 2 339.483 3.481 20 0 EGADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113444974 1369433983 /nfs/dbraw/zinc/43/39/83/1369433983.db2.gz RSKYWVBLTYWUSZ-SFHVURJKSA-N 2 2 345.531 3.357 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(Cl)c1 ZINC001200970879 1369459937 /nfs/dbraw/zinc/45/99/37/1369459937.db2.gz DODLGXGDJIMOMS-UHFFFAOYSA-N 2 2 340.895 3.328 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](CCCC(C)C)CC1)c1ccccc1 ZINC001113529126 1369479627 /nfs/dbraw/zinc/47/96/27/1369479627.db2.gz FDXYQNDVMAILSC-HXUWFJFHSA-N 2 2 345.531 3.260 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](CCCC(C)C)CC1)c1ccccc1 ZINC001113529126 1369479630 /nfs/dbraw/zinc/47/96/30/1369479630.db2.gz FDXYQNDVMAILSC-HXUWFJFHSA-N 2 2 345.531 3.260 20 0 EGADLP CCC(CC)C[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182633 1369491601 /nfs/dbraw/zinc/49/16/01/1369491601.db2.gz LQTBBYYMVQPRLA-IBGZPJMESA-N 2 2 348.535 3.487 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013274 1369954377 /nfs/dbraw/zinc/95/43/77/1369954377.db2.gz IQDDJEGMDSQBQO-ZLKFPQNLSA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013274 1369954381 /nfs/dbraw/zinc/95/43/81/1369954381.db2.gz IQDDJEGMDSQBQO-ZLKFPQNLSA-N 2 2 344.503 3.106 20 0 EGADLP C[N@H+](Cc1cccc2nonc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203129047 1369991419 /nfs/dbraw/zinc/99/14/19/1369991419.db2.gz ZMRBHSFUUMFILO-UHFFFAOYSA-N 2 2 336.439 3.319 20 0 EGADLP C[N@@H+](Cc1cccc2nonc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203129047 1369991421 /nfs/dbraw/zinc/99/14/21/1369991421.db2.gz ZMRBHSFUUMFILO-UHFFFAOYSA-N 2 2 336.439 3.319 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161145 1370005683 /nfs/dbraw/zinc/00/56/83/1370005683.db2.gz PMUHVXUEZDWCBM-IRXDYDNUSA-N 2 2 340.471 3.155 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccn1C)CC2 ZINC001203259745 1370046153 /nfs/dbraw/zinc/04/61/53/1370046153.db2.gz KQRMFDIKXHARTM-UHFFFAOYSA-N 2 2 342.487 3.261 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccn1C)CC2 ZINC001203259745 1370046158 /nfs/dbraw/zinc/04/61/58/1370046158.db2.gz KQRMFDIKXHARTM-UHFFFAOYSA-N 2 2 342.487 3.261 20 0 EGADLP Brc1ccc2c(C3C[NH+](Cc4ccco4)C3)[nH+]cn2c1 ZINC001203285336 1370061764 /nfs/dbraw/zinc/06/17/64/1370061764.db2.gz HIMGKIIUCDCLCB-UHFFFAOYSA-N 2 2 332.201 3.289 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC001203403578 1370113418 /nfs/dbraw/zinc/11/34/18/1370113418.db2.gz OKWPYMJSUNJJTD-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813116 1370274181 /nfs/dbraw/zinc/27/41/81/1370274181.db2.gz AYMFURYXPCIJNS-ROUUACIJSA-N 2 2 346.519 3.261 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1C ZINC001203894179 1370302220 /nfs/dbraw/zinc/30/22/20/1370302220.db2.gz SYJHGDWRHYEAIH-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1C ZINC001203894179 1370302223 /nfs/dbraw/zinc/30/22/23/1370302223.db2.gz SYJHGDWRHYEAIH-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1C ZINC001203894179 1370302230 /nfs/dbraw/zinc/30/22/30/1370302230.db2.gz SYJHGDWRHYEAIH-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1C ZINC001203894179 1370302233 /nfs/dbraw/zinc/30/22/33/1370302233.db2.gz SYJHGDWRHYEAIH-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)c1 ZINC001204053826 1370361494 /nfs/dbraw/zinc/36/14/94/1370361494.db2.gz NXMUYNGYVAQLII-HOTGVXAUSA-N 2 2 342.464 3.041 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[N@H+](C)CC(=O)c2ccccc2)cc1 ZINC001204271658 1370427861 /nfs/dbraw/zinc/42/78/61/1370427861.db2.gz QLMNQZKAJLXDFM-UHFFFAOYSA-N 2 2 340.467 3.332 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CC(=O)c2ccccc2)cc1 ZINC001204271658 1370427865 /nfs/dbraw/zinc/42/78/65/1370427865.db2.gz QLMNQZKAJLXDFM-UHFFFAOYSA-N 2 2 340.467 3.332 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204319770 1370443157 /nfs/dbraw/zinc/44/31/57/1370443157.db2.gz ATWJQNPTYHEKSK-LJQANCHMSA-N 2 2 341.499 3.254 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204319770 1370443161 /nfs/dbraw/zinc/44/31/61/1370443161.db2.gz ATWJQNPTYHEKSK-LJQANCHMSA-N 2 2 341.499 3.254 20 0 EGADLP CCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001115538603 1370535425 /nfs/dbraw/zinc/53/54/25/1370535425.db2.gz PBMGJHJENAXPEK-UHFFFAOYSA-N 2 2 328.460 3.075 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]CC=C(C)C)CCCCC1 ZINC001115591898 1370593350 /nfs/dbraw/zinc/59/33/50/1370593350.db2.gz KEDPNYPHKDELDY-UHFFFAOYSA-N 2 2 345.487 3.008 20 0 EGADLP CC(C)=CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627905 1370621485 /nfs/dbraw/zinc/62/14/85/1370621485.db2.gz YFKJBSPYVMFCLY-UHFFFAOYSA-N 2 2 340.471 3.323 20 0 EGADLP CCOCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640982 1370633009 /nfs/dbraw/zinc/63/30/09/1370633009.db2.gz ZPCYLWOEBSIQHJ-UHFFFAOYSA-N 2 2 347.503 3.066 20 0 EGADLP Oc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C(F)(F)F)c1 ZINC001205086914 1370646435 /nfs/dbraw/zinc/64/64/35/1370646435.db2.gz BYGRNTIUKAICJN-UHFFFAOYSA-N 2 2 333.313 3.413 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1Br ZINC001205124544 1370657862 /nfs/dbraw/zinc/65/78/62/1370657862.db2.gz USGTWSOBQORVEN-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1Br ZINC001205124544 1370657867 /nfs/dbraw/zinc/65/78/67/1370657867.db2.gz USGTWSOBQORVEN-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001187293400 1388089747 /nfs/dbraw/zinc/08/97/47/1388089747.db2.gz GTFCMEHMJBLCMW-UHFFFAOYSA-N 2 2 348.450 3.206 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205315410 1370718541 /nfs/dbraw/zinc/71/85/41/1370718541.db2.gz GJCZXROMDYRHGV-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205315410 1370718546 /nfs/dbraw/zinc/71/85/46/1370718546.db2.gz GJCZXROMDYRHGV-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001115748766 1370729370 /nfs/dbraw/zinc/72/93/70/1370729370.db2.gz FXNHIQXKWMDQFE-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115766080 1370751249 /nfs/dbraw/zinc/75/12/49/1370751249.db2.gz UNMDLWLWVYDHFR-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115766080 1370751251 /nfs/dbraw/zinc/75/12/51/1370751251.db2.gz UNMDLWLWVYDHFR-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205432514 1370753561 /nfs/dbraw/zinc/75/35/61/1370753561.db2.gz DILNIODLWIMGRM-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001205432514 1370753563 /nfs/dbraw/zinc/75/35/63/1370753563.db2.gz DILNIODLWIMGRM-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500409 1370773682 /nfs/dbraw/zinc/77/36/82/1370773682.db2.gz UYQOBSQJEFVMCQ-PKOBYXMFSA-N 2 2 348.535 3.345 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651916 1370829157 /nfs/dbraw/zinc/82/91/57/1370829157.db2.gz LQWVJQMBTKWTAG-ZBFHGGJFSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@H]1C[NH3+] ZINC001205651916 1370829161 /nfs/dbraw/zinc/82/91/61/1370829161.db2.gz LQWVJQMBTKWTAG-ZBFHGGJFSA-N 3 2 332.879 3.333 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCOc1cccc(F)c1 ZINC001116065760 1370830673 /nfs/dbraw/zinc/83/06/73/1370830673.db2.gz XISGZBSIRBYGIW-UHFFFAOYSA-N 2 2 340.358 3.122 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC001116070875 1370832442 /nfs/dbraw/zinc/83/24/42/1370832442.db2.gz HFRJGBVAODEEKA-UHFFFAOYSA-N 2 2 332.285 3.245 20 0 EGADLP CC(C)CCC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679733 1370840753 /nfs/dbraw/zinc/84/07/53/1370840753.db2.gz NRMFZMMRARCKAP-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)CCC1(F)F ZINC001205781272 1370867829 /nfs/dbraw/zinc/86/78/29/1370867829.db2.gz VOQJBTCDEZGNOL-AWEZNQCLSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CCC1(F)F ZINC001205781272 1370867832 /nfs/dbraw/zinc/86/78/32/1370867832.db2.gz VOQJBTCDEZGNOL-AWEZNQCLSA-N 2 2 335.373 3.304 20 0 EGADLP CN(C)c1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3[NH+](C)C)CC2)cc1 ZINC001116296708 1370880508 /nfs/dbraw/zinc/88/05/08/1370880508.db2.gz ZNAKWRGVECFHRP-LEWJYISDSA-N 2 2 344.547 3.184 20 0 EGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813953 1370880726 /nfs/dbraw/zinc/88/07/26/1370880726.db2.gz AMXWLLUBHJQFFV-GXFFZTMASA-N 2 2 326.366 3.141 20 0 EGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813953 1370880731 /nfs/dbraw/zinc/88/07/31/1370880731.db2.gz AMXWLLUBHJQFFV-GXFFZTMASA-N 2 2 326.366 3.141 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1F ZINC001205915830 1370909648 /nfs/dbraw/zinc/90/96/48/1370909648.db2.gz QSYGMDRKTXKADT-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1F ZINC001205915830 1370909650 /nfs/dbraw/zinc/90/96/50/1370909650.db2.gz QSYGMDRKTXKADT-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]([NH3+])C3)o2)cc1 ZINC001205933179 1370915794 /nfs/dbraw/zinc/91/57/94/1370915794.db2.gz ZYVXRZAFONRUKX-KRWDZBQOSA-N 2 2 342.439 3.437 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@H]([NH3+])C3)o2)cc1 ZINC001205933179 1370915799 /nfs/dbraw/zinc/91/57/99/1370915799.db2.gz ZYVXRZAFONRUKX-KRWDZBQOSA-N 2 2 342.439 3.437 20 0 EGADLP CCc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206201845 1370991750 /nfs/dbraw/zinc/99/17/50/1370991750.db2.gz ZHYBVSPFKPFRPJ-GJZGRUSLSA-N 2 2 329.257 3.273 20 0 EGADLP CCc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206201845 1370991755 /nfs/dbraw/zinc/99/17/55/1370991755.db2.gz ZHYBVSPFKPFRPJ-GJZGRUSLSA-N 2 2 329.257 3.273 20 0 EGADLP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238247 1371001179 /nfs/dbraw/zinc/00/11/79/1371001179.db2.gz KIJXWOMFSXLHPP-QGZVFWFLSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@](N)(C(F)(F)F)C3)cc21 ZINC001206250500 1371004114 /nfs/dbraw/zinc/00/41/14/1371004114.db2.gz HAEZLEUMIRWWJL-KRWDZBQOSA-N 2 2 339.405 3.153 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@](N)(C(F)(F)F)C3)cc21 ZINC001206250500 1371004120 /nfs/dbraw/zinc/00/41/20/1371004120.db2.gz HAEZLEUMIRWWJL-KRWDZBQOSA-N 2 2 339.405 3.153 20 0 EGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001206269948 1371008811 /nfs/dbraw/zinc/00/88/11/1371008811.db2.gz YMXBXEOFTGHKCU-INIZCTEOSA-N 2 2 328.431 3.446 20 0 EGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001206269948 1371008819 /nfs/dbraw/zinc/00/88/19/1371008819.db2.gz YMXBXEOFTGHKCU-INIZCTEOSA-N 2 2 328.431 3.446 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)n2)cc1 ZINC001206351628 1371029942 /nfs/dbraw/zinc/02/99/42/1371029942.db2.gz GPTHPJFBNQWUTA-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)n2)cc1 ZINC001206351628 1371029944 /nfs/dbraw/zinc/02/99/44/1371029944.db2.gz GPTHPJFBNQWUTA-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc([C@H](C)[NH3+])cc1 ZINC001206520641 1371082515 /nfs/dbraw/zinc/08/25/15/1371082515.db2.gz SRYBQABHCSBLER-HNNXBMFYSA-N 2 2 326.440 3.214 20 0 EGADLP CCc1ccc([C@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)[NH+](CC)CC)cc1 ZINC001117790629 1371085069 /nfs/dbraw/zinc/08/50/69/1371085069.db2.gz CTTRSDNWGJPMEH-APWZRJJASA-N 2 2 342.487 3.206 20 0 EGADLP [NH3+][C@@H]1CCc2c1cccc2-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206734237 1371148878 /nfs/dbraw/zinc/14/88/78/1371148878.db2.gz XQILHGCUVVNNQJ-HXUWFJFHSA-N 2 2 326.415 3.271 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768810 1371158605 /nfs/dbraw/zinc/15/86/05/1371158605.db2.gz LXQFZMADCMVHJE-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768810 1371158606 /nfs/dbraw/zinc/15/86/06/1371158606.db2.gz LXQFZMADCMVHJE-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206808726 1371175626 /nfs/dbraw/zinc/17/56/26/1371175626.db2.gz KEUREOAJSMITDW-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206808726 1371175630 /nfs/dbraw/zinc/17/56/30/1371175630.db2.gz KEUREOAJSMITDW-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP c1[nH+]c(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)n2ccccc12 ZINC001207056917 1371279953 /nfs/dbraw/zinc/27/99/53/1371279953.db2.gz GWXZFALEWCUFQR-UHFFFAOYSA-N 2 2 346.478 3.432 20 0 EGADLP Cc1noc(C)c1C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001207134890 1371306009 /nfs/dbraw/zinc/30/60/09/1371306009.db2.gz PKDHXDAPPAHISB-RTBURBONSA-N 2 2 325.456 3.164 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001207345110 1371366293 /nfs/dbraw/zinc/36/62/93/1371366293.db2.gz AYXHGPSXSUFCNT-IRXDYDNUSA-N 2 2 335.442 3.271 20 0 EGADLP Fc1ccc(CC[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001207512518 1371420905 /nfs/dbraw/zinc/42/09/05/1371420905.db2.gz AKEBWBINZAPLPD-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1ccc(CC[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001207512518 1371420910 /nfs/dbraw/zinc/42/09/10/1371420910.db2.gz AKEBWBINZAPLPD-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1ccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001207512518 1371420913 /nfs/dbraw/zinc/42/09/13/1371420913.db2.gz AKEBWBINZAPLPD-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1ccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001207512518 1371420917 /nfs/dbraw/zinc/42/09/17/1371420917.db2.gz AKEBWBINZAPLPD-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP C[C@H](CCCC(C)(C)O)CC[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001207678089 1371472403 /nfs/dbraw/zinc/47/24/03/1371472403.db2.gz DJYGWZNFWSIXIY-LJQANCHMSA-N 3 2 343.600 3.159 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]2C)c[nH+]1 ZINC001207681618 1371473327 /nfs/dbraw/zinc/47/33/27/1371473327.db2.gz ZZIGZOAPESEGQU-LZLYRXPVSA-N 2 2 348.535 3.045 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]2C)c[nH+]1 ZINC001207681618 1371473331 /nfs/dbraw/zinc/47/33/31/1371473331.db2.gz ZZIGZOAPESEGQU-LZLYRXPVSA-N 2 2 348.535 3.045 20 0 EGADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC001207928059 1371540183 /nfs/dbraw/zinc/54/01/83/1371540183.db2.gz IXXRXKOZMCLZDH-IBGZPJMESA-N 2 2 332.488 3.124 20 0 EGADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC001207928059 1371540186 /nfs/dbraw/zinc/54/01/86/1371540186.db2.gz IXXRXKOZMCLZDH-IBGZPJMESA-N 2 2 332.488 3.124 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440635 1371578645 /nfs/dbraw/zinc/57/86/45/1371578645.db2.gz QHNNZCRKMPNYIW-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440635 1371578648 /nfs/dbraw/zinc/57/86/48/1371578648.db2.gz QHNNZCRKMPNYIW-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc([C@H](C)CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)o1 ZINC001208156664 1371612483 /nfs/dbraw/zinc/61/24/83/1371612483.db2.gz QRIGLNWLEVPNLJ-MRXNPFEDSA-N 2 2 342.487 3.390 20 0 EGADLP Cc1ccc([C@H](C)CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)o1 ZINC001208156664 1371612485 /nfs/dbraw/zinc/61/24/85/1371612485.db2.gz QRIGLNWLEVPNLJ-MRXNPFEDSA-N 2 2 342.487 3.390 20 0 EGADLP CC(C)[N@@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218443 1371659740 /nfs/dbraw/zinc/65/97/40/1371659740.db2.gz ZQUQOAQELXUKDM-MRXNPFEDSA-N 2 2 332.488 3.399 20 0 EGADLP CC(C)[N@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218443 1371659776 /nfs/dbraw/zinc/65/97/76/1371659776.db2.gz ZQUQOAQELXUKDM-MRXNPFEDSA-N 2 2 332.488 3.399 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208806101 1371902673 /nfs/dbraw/zinc/90/26/73/1371902673.db2.gz IDRMALIFCYCJLE-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C[C@H](C)C(F)(F)F)CC2 ZINC001208886634 1371931657 /nfs/dbraw/zinc/93/16/57/1371931657.db2.gz DLLBYEYTUOWYDF-LBPRGKRZSA-N 2 2 332.414 3.082 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@H](C)C(F)(F)F)CC2 ZINC001208886634 1371931660 /nfs/dbraw/zinc/93/16/60/1371931660.db2.gz DLLBYEYTUOWYDF-LBPRGKRZSA-N 2 2 332.414 3.082 20 0 EGADLP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001326368376 1388167903 /nfs/dbraw/zinc/16/79/03/1388167903.db2.gz BKDKEWPFJHPOCO-ROUUACIJSA-N 2 2 338.455 3.342 20 0 EGADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001208895959 1371935907 /nfs/dbraw/zinc/93/59/07/1371935907.db2.gz BDRYBNXZZHFHDX-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001208895959 1371935910 /nfs/dbraw/zinc/93/59/10/1371935910.db2.gz BDRYBNXZZHFHDX-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CC3(C)CCCCC3)C2)C1 ZINC001208895959 1371935914 /nfs/dbraw/zinc/93/59/14/1371935914.db2.gz BDRYBNXZZHFHDX-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3(C)CCCCC3)C2)C1 ZINC001208895959 1371935919 /nfs/dbraw/zinc/93/59/19/1371935919.db2.gz BDRYBNXZZHFHDX-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC4(C)CCCCC4)C[C@H]3C2)cn1 ZINC001208899153 1371938047 /nfs/dbraw/zinc/93/80/47/1371938047.db2.gz HVHMCTXUDDCNCI-RTBURBONSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC4(C)CCCCC4)C[C@H]3C2)cn1 ZINC001208899153 1371938050 /nfs/dbraw/zinc/93/80/50/1371938050.db2.gz HVHMCTXUDDCNCI-RTBURBONSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC4(C)CCCCC4)C[C@H]3C2)cn1 ZINC001208899153 1371938053 /nfs/dbraw/zinc/93/80/53/1371938053.db2.gz HVHMCTXUDDCNCI-RTBURBONSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC4(C)CCCCC4)C[C@H]3C2)cn1 ZINC001208899153 1371938057 /nfs/dbraw/zinc/93/80/57/1371938057.db2.gz HVHMCTXUDDCNCI-RTBURBONSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1nc2ccccc2c1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209539695 1372132333 /nfs/dbraw/zinc/13/23/33/1372132333.db2.gz OKDBFMYHRUUXHI-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1nc2ccccc2c1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209539695 1372132335 /nfs/dbraw/zinc/13/23/35/1372132335.db2.gz OKDBFMYHRUUXHI-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)nc(C)[nH+]1 ZINC001209692567 1372171759 /nfs/dbraw/zinc/17/17/59/1372171759.db2.gz PSNPFLMZWBTKEB-UHFFFAOYSA-N 2 2 339.418 3.036 20 0 EGADLP c1cn(Cc2cccc(Nc3ccc(N4CC[NH2+]CC4)cc3)c2)c[nH+]1 ZINC001213265408 1372870970 /nfs/dbraw/zinc/87/09/70/1372870970.db2.gz QNXIBLOKYNWTHW-UHFFFAOYSA-N 2 2 333.439 3.085 20 0 EGADLP CCc1cccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)c1 ZINC001214673512 1373100074 /nfs/dbraw/zinc/10/00/74/1373100074.db2.gz CHGSXNBYKCMTPN-UHFFFAOYSA-N 2 2 349.438 3.113 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@H](C)c3ccccc3C)ccn12 ZINC001127292844 1373112458 /nfs/dbraw/zinc/11/24/58/1373112458.db2.gz MUQSNKRJVNXLGZ-MRXNPFEDSA-N 2 2 336.439 3.032 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001128967272 1373328538 /nfs/dbraw/zinc/32/85/38/1373328538.db2.gz IZIDATWHZWQMPF-OAHLLOKOSA-N 2 2 342.487 3.107 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC001128967272 1373328544 /nfs/dbraw/zinc/32/85/44/1373328544.db2.gz IZIDATWHZWQMPF-OAHLLOKOSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CCC1=CCCCC1)n1cc[nH+]c1 ZINC001130006271 1373445480 /nfs/dbraw/zinc/44/54/80/1373445480.db2.gz AFPYRODELRPSIY-GOSISDBHSA-N 2 2 332.492 3.067 20 0 EGADLP CCCc1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001130266356 1373481349 /nfs/dbraw/zinc/48/13/49/1373481349.db2.gz VWOASTWXFKVIIJ-UHFFFAOYSA-N 2 2 336.439 3.035 20 0 EGADLP Cc1ccccc1Oc1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218851779 1373661111 /nfs/dbraw/zinc/66/11/11/1373661111.db2.gz UPJHKBPWMCKEJW-HNNXBMFYSA-N 2 2 336.395 3.019 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC001218950005 1373669436 /nfs/dbraw/zinc/66/94/36/1373669436.db2.gz NBKPOTHGGJNSDB-HXUWFJFHSA-N 2 2 345.446 3.488 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC[C@@H]2CCCC2(F)F)c(C)[nH+]1 ZINC001131563078 1373721713 /nfs/dbraw/zinc/72/17/13/1373721713.db2.gz XJLDWXBLNOJTGJ-HNNXBMFYSA-N 2 2 339.430 3.152 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC2CCC3(CC3)CC2)c(C)[nH+]1 ZINC001131562922 1373721941 /nfs/dbraw/zinc/72/19/41/1373721941.db2.gz PRLDHSXPEHDVKT-UHFFFAOYSA-N 2 2 329.488 3.297 20 0 EGADLP CC(=O)c1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1C ZINC001326743872 1388296367 /nfs/dbraw/zinc/29/63/67/1388296367.db2.gz DCBBXNZQBBNWDG-UHFFFAOYSA-N 2 2 334.379 3.339 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132026045 1375105527 /nfs/dbraw/zinc/10/55/27/1375105527.db2.gz YTQQFQJOWAVCMM-CVEARBPZSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132026045 1375105531 /nfs/dbraw/zinc/10/55/31/1375105531.db2.gz YTQQFQJOWAVCMM-CVEARBPZSA-N 2 2 334.508 3.138 20 0 EGADLP CCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125788 1375159645 /nfs/dbraw/zinc/15/96/45/1375159645.db2.gz YPWKQSLEAZKLGT-IAGOWNOFSA-N 2 2 334.508 3.086 20 0 EGADLP CCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125788 1375159646 /nfs/dbraw/zinc/15/96/46/1375159646.db2.gz YPWKQSLEAZKLGT-IAGOWNOFSA-N 2 2 334.508 3.086 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226885964 1375351827 /nfs/dbraw/zinc/35/18/27/1375351827.db2.gz RISLGHOGDIVOSL-LCFSUOOVSA-N 2 2 344.503 3.277 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885964 1375351832 /nfs/dbraw/zinc/35/18/32/1375351832.db2.gz RISLGHOGDIVOSL-LCFSUOOVSA-N 2 2 344.503 3.277 20 0 EGADLP CCCCCC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249849 1375534047 /nfs/dbraw/zinc/53/40/47/1375534047.db2.gz XKAKFVNCTBTHFQ-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875234 1375616365 /nfs/dbraw/zinc/61/63/65/1375616365.db2.gz VPGCUQNYHLZJSP-FDICQLOXSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875234 1375616379 /nfs/dbraw/zinc/61/63/79/1375616379.db2.gz VPGCUQNYHLZJSP-FDICQLOXSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001228854103 1375694207 /nfs/dbraw/zinc/69/42/07/1375694207.db2.gz VNRLKFOIIAECTB-BHIYHBOVSA-N 2 2 344.503 3.352 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229384631 1375824744 /nfs/dbraw/zinc/82/47/44/1375824744.db2.gz HTTBECWFJKPUNV-IAGOWNOFSA-N 2 2 334.508 3.097 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133241860 1375863017 /nfs/dbraw/zinc/86/30/17/1375863017.db2.gz LUBNGCFGLSRIGW-DOTOQJQBSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cnc(-c3cccnc3)o2)C1 ZINC001232138816 1376406071 /nfs/dbraw/zinc/40/60/71/1376406071.db2.gz YOCOOVKUHQPPIY-INIZCTEOSA-N 2 2 336.395 3.093 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cnc(-c3cccnc3)o2)C1 ZINC001232138816 1376406076 /nfs/dbraw/zinc/40/60/76/1376406076.db2.gz YOCOOVKUHQPPIY-INIZCTEOSA-N 2 2 336.395 3.093 20 0 EGADLP Cc1cccc(N2CCC[N@H+](Cc3cnc(-c4cccnc4)o3)CC2)[nH+]1 ZINC001232136719 1376406228 /nfs/dbraw/zinc/40/62/28/1376406228.db2.gz WVEZEXIBLUMZSW-UHFFFAOYSA-N 2 2 349.438 3.152 20 0 EGADLP Cc1cccc(N2CCC[N@@H+](Cc3cnc(-c4cccnc4)o3)CC2)[nH+]1 ZINC001232136719 1376406230 /nfs/dbraw/zinc/40/62/30/1376406230.db2.gz WVEZEXIBLUMZSW-UHFFFAOYSA-N 2 2 349.438 3.152 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4nccc5ccccc54)C[C@@H]3C2)nc1 ZINC001232250486 1376425011 /nfs/dbraw/zinc/42/50/11/1376425011.db2.gz SRTAUXOMRBULNR-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4nccc5ccccc54)C[C@@H]3C2)nc1 ZINC001232250486 1376425016 /nfs/dbraw/zinc/42/50/16/1376425016.db2.gz SRTAUXOMRBULNR-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4nccc5ccccc54)C[C@@H]3C2)nc1 ZINC001232250486 1376425019 /nfs/dbraw/zinc/42/50/19/1376425019.db2.gz SRTAUXOMRBULNR-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4nccc5ccccc54)C[C@@H]3C2)nc1 ZINC001232250486 1376425024 /nfs/dbraw/zinc/42/50/24/1376425024.db2.gz SRTAUXOMRBULNR-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP Oc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c2cccnc12 ZINC001232273099 1376429620 /nfs/dbraw/zinc/42/96/20/1376429620.db2.gz VJVHYXFLORXKHP-UHFFFAOYSA-N 2 2 335.407 3.379 20 0 EGADLP CSc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001232329411 1376440616 /nfs/dbraw/zinc/44/06/16/1376440616.db2.gz RVKVHWQXFFPFFB-CALCHBBNSA-N 2 2 343.496 3.350 20 0 EGADLP CSc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001232329411 1376440619 /nfs/dbraw/zinc/44/06/19/1376440619.db2.gz RVKVHWQXFFPFFB-CALCHBBNSA-N 2 2 343.496 3.350 20 0 EGADLP CSc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cn1 ZINC001232329411 1376440623 /nfs/dbraw/zinc/44/06/23/1376440623.db2.gz RVKVHWQXFFPFFB-CALCHBBNSA-N 2 2 343.496 3.350 20 0 EGADLP CSc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cn1 ZINC001232329411 1376440625 /nfs/dbraw/zinc/44/06/25/1376440625.db2.gz RVKVHWQXFFPFFB-CALCHBBNSA-N 2 2 343.496 3.350 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2cnc(Cl)cc2Br)CC1 ZINC001232680150 1376500402 /nfs/dbraw/zinc/50/04/02/1376500402.db2.gz BCNGTQVYWXHBFU-UHFFFAOYSA-N 2 2 346.700 3.271 20 0 EGADLP Oc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OCC1CC1 ZINC001233229245 1376592918 /nfs/dbraw/zinc/59/29/18/1376592918.db2.gz IOEPITNAAROWBA-UHFFFAOYSA-N 2 2 327.428 3.215 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233228534 1376593526 /nfs/dbraw/zinc/59/35/26/1376593526.db2.gz CPWYSUYEZIHCTC-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233228534 1376593534 /nfs/dbraw/zinc/59/35/34/1376593534.db2.gz CPWYSUYEZIHCTC-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233228534 1376593538 /nfs/dbraw/zinc/59/35/38/1376593538.db2.gz CPWYSUYEZIHCTC-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233228534 1376593541 /nfs/dbraw/zinc/59/35/41/1376593541.db2.gz CPWYSUYEZIHCTC-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP CC(C)[N@H+](Cc1ccc(O)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001233230472 1376594390 /nfs/dbraw/zinc/59/43/90/1376594390.db2.gz IIHKOPMZTOGGEY-UHFFFAOYSA-N 2 2 332.488 3.486 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(O)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001233230472 1376594397 /nfs/dbraw/zinc/59/43/97/1376594397.db2.gz IIHKOPMZTOGGEY-UHFFFAOYSA-N 2 2 332.488 3.486 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CCCCC2)c[nH+]1 ZINC001134728822 1376681421 /nfs/dbraw/zinc/68/14/21/1376681421.db2.gz BWCXRWCXZVRPNP-JKSUJKDBSA-N 2 2 348.535 3.380 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134733417 1376684755 /nfs/dbraw/zinc/68/47/55/1376684755.db2.gz ZIGYUEMXSBGGDD-HOTGVXAUSA-N 2 2 335.492 3.086 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(C)(C)C ZINC001134739832 1376688839 /nfs/dbraw/zinc/68/88/39/1376688839.db2.gz KLLIXMJJXMDVFQ-KGLIPLIRSA-N 2 2 330.476 3.486 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739925 1376690325 /nfs/dbraw/zinc/69/03/25/1376690325.db2.gz LUBBYFRNROSXHM-UONOGXRCSA-N 2 2 330.476 3.486 20 0 EGADLP Clc1ccc2cc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2n1 ZINC001235023228 1376829419 /nfs/dbraw/zinc/82/94/19/1376829419.db2.gz SZNCEDFCUMVBBK-IBGZPJMESA-N 2 2 345.874 3.090 20 0 EGADLP Clc1ccc2cc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2n1 ZINC001235023228 1376829422 /nfs/dbraw/zinc/82/94/22/1376829422.db2.gz SZNCEDFCUMVBBK-IBGZPJMESA-N 2 2 345.874 3.090 20 0 EGADLP COc1ncc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235036642 1376836573 /nfs/dbraw/zinc/83/65/73/1376836573.db2.gz AJGICMIWMOIOLC-HXUWFJFHSA-N 2 2 325.456 3.352 20 0 EGADLP COc1ncc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235036642 1376836579 /nfs/dbraw/zinc/83/65/79/1376836579.db2.gz AJGICMIWMOIOLC-HXUWFJFHSA-N 2 2 325.456 3.352 20 0 EGADLP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@]3(CCC[NH2+]3)CC1)cn2C ZINC001235046255 1376841483 /nfs/dbraw/zinc/84/14/83/1376841483.db2.gz OGXOBPPOYOKCSH-HXUWFJFHSA-N 2 2 327.472 3.295 20 0 EGADLP COc1ccc2c(c1)c(C[N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)cn2C ZINC001235046255 1376841486 /nfs/dbraw/zinc/84/14/86/1376841486.db2.gz OGXOBPPOYOKCSH-HXUWFJFHSA-N 2 2 327.472 3.295 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135057640 1376873100 /nfs/dbraw/zinc/87/31/00/1376873100.db2.gz YQELWDOTXJSSNU-IRXDYDNUSA-N 2 2 348.535 3.196 20 0 EGADLP CC[C@H]([NH3+])C[N@@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235885677 1376910566 /nfs/dbraw/zinc/91/05/66/1376910566.db2.gz WLRZDQIYSDOUTI-ZDUSSCGKSA-N 2 2 338.908 3.199 20 0 EGADLP CC[C@H]([NH3+])C[N@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235885677 1376910576 /nfs/dbraw/zinc/91/05/76/1376910576.db2.gz WLRZDQIYSDOUTI-ZDUSSCGKSA-N 2 2 338.908 3.199 20 0 EGADLP COc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c2c(OC)cccc12 ZINC001236206936 1376942033 /nfs/dbraw/zinc/94/20/33/1376942033.db2.gz MBRDNFSFRPBIFM-HXUWFJFHSA-N 2 2 328.456 3.431 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c2c(OC)cccc12 ZINC001236206936 1376942034 /nfs/dbraw/zinc/94/20/34/1376942034.db2.gz MBRDNFSFRPBIFM-HXUWFJFHSA-N 2 2 328.456 3.431 20 0 EGADLP CC(C)(C)[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381956 1377051724 /nfs/dbraw/zinc/05/17/24/1377051724.db2.gz VKKIICDUKHEOQF-IEBWSBKVSA-N 3 2 347.522 3.247 20 0 EGADLP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001253838913 1377102269 /nfs/dbraw/zinc/10/22/69/1377102269.db2.gz LOGSGUQXDJKFIO-FPOVZHCZSA-N 2 2 342.483 3.017 20 0 EGADLP O=C1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)CCN1Cc1ccccc1 ZINC001258569566 1377118009 /nfs/dbraw/zinc/11/80/09/1377118009.db2.gz YZVZLSFVLWYNGR-FQEVSTJZSA-N 2 2 343.515 3.033 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679928 1377181998 /nfs/dbraw/zinc/18/19/98/1377181998.db2.gz PNYDLYFENCMLBM-SJORKVTESA-N 2 2 342.487 3.024 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001135944317 1377272952 /nfs/dbraw/zinc/27/29/52/1377272952.db2.gz IINDUHSRSRCDBC-JKSUJKDBSA-N 2 2 348.535 3.052 20 0 EGADLP CCC(CC)C[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001268212575 1377495907 /nfs/dbraw/zinc/49/59/07/1377495907.db2.gz KAVACDCDTRDTEX-GOSISDBHSA-N 2 2 344.503 3.423 20 0 EGADLP COCC[N@H+](Cc1ccc2cccc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC001137224331 1377500122 /nfs/dbraw/zinc/50/01/22/1377500122.db2.gz DMEUZWJVFBULNF-UHFFFAOYSA-N 2 2 347.890 3.431 20 0 EGADLP COCC[N@@H+](Cc1ccc2cccc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC001137224331 1377500125 /nfs/dbraw/zinc/50/01/25/1377500125.db2.gz DMEUZWJVFBULNF-UHFFFAOYSA-N 2 2 347.890 3.431 20 0 EGADLP COc1cc2c(cn1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138552168 1377740265 /nfs/dbraw/zinc/74/02/65/1377740265.db2.gz YBCUMVMZTMRXEP-UHFFFAOYSA-N 2 2 334.423 3.143 20 0 EGADLP COc1cc2c(cn1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138552168 1377740267 /nfs/dbraw/zinc/74/02/67/1377740267.db2.gz YBCUMVMZTMRXEP-UHFFFAOYSA-N 2 2 334.423 3.143 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138642652 1377760309 /nfs/dbraw/zinc/76/03/09/1377760309.db2.gz ITVCOVMTIZNEDA-IAGOWNOFSA-N 2 2 344.528 3.145 20 0 EGADLP CSc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001138706644 1377771100 /nfs/dbraw/zinc/77/11/00/1377771100.db2.gz DJAVAPJZAUWJRL-KRWDZBQOSA-N 2 2 342.512 3.152 20 0 EGADLP CSc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001138706644 1377771101 /nfs/dbraw/zinc/77/11/01/1377771101.db2.gz DJAVAPJZAUWJRL-KRWDZBQOSA-N 2 2 342.512 3.152 20 0 EGADLP CSc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001138706644 1377771102 /nfs/dbraw/zinc/77/11/02/1377771102.db2.gz DJAVAPJZAUWJRL-KRWDZBQOSA-N 2 2 342.512 3.152 20 0 EGADLP CSc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001138706644 1377771103 /nfs/dbraw/zinc/77/11/03/1377771103.db2.gz DJAVAPJZAUWJRL-KRWDZBQOSA-N 2 2 342.512 3.152 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001139061869 1377823460 /nfs/dbraw/zinc/82/34/60/1377823460.db2.gz XNKKYMNYOFQNSF-ROUUACIJSA-N 2 2 333.435 3.392 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3cccc(Br)c3F)C2)CC1 ZINC001139534429 1377898755 /nfs/dbraw/zinc/89/87/55/1377898755.db2.gz QCZPRIFBAXGBFM-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001139678620 1377933096 /nfs/dbraw/zinc/93/30/96/1377933096.db2.gz ASCFGUKUILVIQZ-QGZVFWFLSA-N 2 2 336.439 3.308 20 0 EGADLP Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001139678620 1377933099 /nfs/dbraw/zinc/93/30/99/1377933099.db2.gz ASCFGUKUILVIQZ-QGZVFWFLSA-N 2 2 336.439 3.308 20 0 EGADLP COC(=O)c1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c21 ZINC001139717234 1377940117 /nfs/dbraw/zinc/94/01/17/1377940117.db2.gz SRWFYEIGWUBPHO-UHFFFAOYSA-N 2 2 341.455 3.015 20 0 EGADLP Cn1ncc2ccc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cc21 ZINC001139910638 1377976566 /nfs/dbraw/zinc/97/65/66/1377976566.db2.gz SFBLWNKUSYVBGJ-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1ncc2ccc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cc21 ZINC001139910638 1377976567 /nfs/dbraw/zinc/97/65/67/1377976567.db2.gz SFBLWNKUSYVBGJ-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001140020924 1377991424 /nfs/dbraw/zinc/99/14/24/1377991424.db2.gz DNWZZRIIJLXYHH-SFHVURJKSA-N 2 2 325.456 3.165 20 0 EGADLP COc1c(Cl)cccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001140063426 1377999497 /nfs/dbraw/zinc/99/94/97/1377999497.db2.gz URSDVWZDLFJCAC-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP Cc1c(F)cc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC001140555847 1378085274 /nfs/dbraw/zinc/08/52/74/1378085274.db2.gz ZAXSLDLHLQUZER-UHFFFAOYSA-N 2 2 329.257 3.423 20 0 EGADLP Cc1c(F)cc(C[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC001140555847 1378085275 /nfs/dbraw/zinc/08/52/75/1378085275.db2.gz ZAXSLDLHLQUZER-UHFFFAOYSA-N 2 2 329.257 3.423 20 0 EGADLP Nc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876623 1378166158 /nfs/dbraw/zinc/16/61/58/1378166158.db2.gz ICXNFXSAWLKZIS-MSOLQXFVSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876623 1378166161 /nfs/dbraw/zinc/16/61/61/1378166161.db2.gz ICXNFXSAWLKZIS-MSOLQXFVSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876623 1378166162 /nfs/dbraw/zinc/16/61/62/1378166162.db2.gz ICXNFXSAWLKZIS-MSOLQXFVSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140876623 1378166164 /nfs/dbraw/zinc/16/61/64/1378166164.db2.gz ICXNFXSAWLKZIS-MSOLQXFVSA-N 2 2 339.458 3.362 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccc(OC)cc2)n1 ZINC001140959715 1378192880 /nfs/dbraw/zinc/19/28/80/1378192880.db2.gz DFETYFHOWYDIHY-UHFFFAOYSA-N 2 2 336.439 3.476 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(-c2ccc(OC)cc2)n1 ZINC001140959715 1378192886 /nfs/dbraw/zinc/19/28/86/1378192886.db2.gz DFETYFHOWYDIHY-UHFFFAOYSA-N 2 2 336.439 3.476 20 0 EGADLP C[NH+]1CCC([NH2+][C@@]23CC[C@@]([NH2+]CCCC(F)(F)F)(C2)CCC3)CC1 ZINC001277624879 1378240714 /nfs/dbraw/zinc/24/07/14/1378240714.db2.gz KTCIQLBTDYKIKY-SJORKVTESA-N 3 2 347.469 3.448 20 0 EGADLP COc1ccsc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001141320971 1378301465 /nfs/dbraw/zinc/30/14/65/1378301465.db2.gz PBNWPMKBRSKISF-ZIAGYGMSSA-N 2 2 334.510 3.382 20 0 EGADLP COc1ccsc1C[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001141320970 1378301606 /nfs/dbraw/zinc/30/16/06/1378301606.db2.gz PBNWPMKBRSKISF-OKILXGFUSA-N 2 2 334.510 3.382 20 0 EGADLP COc1ccsc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001141320970 1378301611 /nfs/dbraw/zinc/30/16/11/1378301611.db2.gz PBNWPMKBRSKISF-OKILXGFUSA-N 2 2 334.510 3.382 20 0 EGADLP COc1ccsc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001141320970 1378301615 /nfs/dbraw/zinc/30/16/15/1378301615.db2.gz PBNWPMKBRSKISF-OKILXGFUSA-N 2 2 334.510 3.382 20 0 EGADLP COc1ccsc1C[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001141320970 1378301621 /nfs/dbraw/zinc/30/16/21/1378301621.db2.gz PBNWPMKBRSKISF-OKILXGFUSA-N 2 2 334.510 3.382 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143697193 1378636019 /nfs/dbraw/zinc/63/60/19/1378636019.db2.gz HCZVZWBZRGVMKC-UHFFFAOYSA-N 2 2 336.480 3.202 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143697193 1378636023 /nfs/dbraw/zinc/63/60/23/1378636023.db2.gz HCZVZWBZRGVMKC-UHFFFAOYSA-N 2 2 336.480 3.202 20 0 EGADLP Cc1c(O)cccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001144110349 1378682922 /nfs/dbraw/zinc/68/29/22/1378682922.db2.gz KWXKQZWVDYPODV-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1c(O)cccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001144110349 1378682923 /nfs/dbraw/zinc/68/29/23/1378682923.db2.gz KWXKQZWVDYPODV-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1c(O)cccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001144110349 1378682924 /nfs/dbraw/zinc/68/29/24/1378682924.db2.gz KWXKQZWVDYPODV-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1c(O)cccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001144110349 1378682925 /nfs/dbraw/zinc/68/29/25/1378682925.db2.gz KWXKQZWVDYPODV-HXUWFJFHSA-N 2 2 332.488 3.023 20 0 EGADLP COc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001144494809 1378736816 /nfs/dbraw/zinc/73/68/16/1378736816.db2.gz FGNGRPSXVOSXQY-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP c1[nH+]c(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)c2ccccn12 ZINC001144625074 1378752523 /nfs/dbraw/zinc/75/25/23/1378752523.db2.gz BQRWWMJAYWZEIC-UHFFFAOYSA-N 2 2 332.451 3.141 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001149129862 1379329996 /nfs/dbraw/zinc/32/99/96/1379329996.db2.gz JAAWXBMFMPQBBC-CQSZACIVSA-N 2 2 342.487 3.025 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284600084 1380001141 /nfs/dbraw/zinc/00/11/41/1380001141.db2.gz YXYZSWFBQCGQNY-GOSISDBHSA-N 2 2 348.535 3.433 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284600084 1380001144 /nfs/dbraw/zinc/00/11/44/1380001144.db2.gz YXYZSWFBQCGQNY-GOSISDBHSA-N 2 2 348.535 3.433 20 0 EGADLP CC[N@H+](Cc1ccccc1Cl)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115176 1380023522 /nfs/dbraw/zinc/02/35/22/1380023522.db2.gz PYITWPZKVYIZBZ-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@@H+](Cc1ccccc1Cl)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115176 1380023525 /nfs/dbraw/zinc/02/35/25/1380023525.db2.gz PYITWPZKVYIZBZ-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015443 1380179566 /nfs/dbraw/zinc/17/95/66/1380179566.db2.gz INLVFJZOJUDBQF-IDTUSYRASA-N 2 2 328.460 3.359 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015443 1380179568 /nfs/dbraw/zinc/17/95/68/1380179568.db2.gz INLVFJZOJUDBQF-IDTUSYRASA-N 2 2 328.460 3.359 20 0 EGADLP CC[N@H+](Cc1ccccc1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015568 1380180945 /nfs/dbraw/zinc/18/09/45/1380180945.db2.gz OPBIXTGFVUDMEO-OAHLLOKOSA-N 2 2 336.439 3.203 20 0 EGADLP CC[N@@H+](Cc1ccccc1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015568 1380180949 /nfs/dbraw/zinc/18/09/49/1380180949.db2.gz OPBIXTGFVUDMEO-OAHLLOKOSA-N 2 2 336.439 3.203 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315573 1380254770 /nfs/dbraw/zinc/25/47/70/1380254770.db2.gz XKZCRQVQCWGMHL-OAHLLOKOSA-N 2 2 330.476 3.211 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315573 1380254773 /nfs/dbraw/zinc/25/47/73/1380254773.db2.gz XKZCRQVQCWGMHL-OAHLLOKOSA-N 2 2 330.476 3.211 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189442 1380422011 /nfs/dbraw/zinc/42/20/11/1380422011.db2.gz NMYNBWMLUXOIPB-ZBFHGGJFSA-N 2 2 334.508 3.092 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189442 1380422012 /nfs/dbraw/zinc/42/20/12/1380422012.db2.gz NMYNBWMLUXOIPB-ZBFHGGJFSA-N 2 2 334.508 3.092 20 0 EGADLP Cc1ccc2c(c1)[C@H](Nc1cc(N(C)C)nc[nH+]1)CC21CC[NH2+]CC1 ZINC001155430106 1380451343 /nfs/dbraw/zinc/45/13/43/1380451343.db2.gz DQXZFWIMLUPUSJ-QGZVFWFLSA-N 2 2 337.471 3.029 20 0 EGADLP Cc1ccc2c(c1)[C@H](Nc1cc(N(C)C)[nH+]cn1)CC21CC[NH2+]CC1 ZINC001155430106 1380451344 /nfs/dbraw/zinc/45/13/44/1380451344.db2.gz DQXZFWIMLUPUSJ-QGZVFWFLSA-N 2 2 337.471 3.029 20 0 EGADLP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520856 1380463606 /nfs/dbraw/zinc/46/36/06/1380463606.db2.gz DQZXKXYFXJGMFR-IAGOWNOFSA-N 2 2 332.492 3.161 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520856 1380463607 /nfs/dbraw/zinc/46/36/07/1380463607.db2.gz DQZXKXYFXJGMFR-IAGOWNOFSA-N 2 2 332.492 3.161 20 0 EGADLP Cc1cccc2nc(Cl)nc(NCC3([NH+](C)C)CC[NH+](C)CC3)c12 ZINC001156184896 1380538271 /nfs/dbraw/zinc/53/82/71/1380538271.db2.gz IFVCCNBOJCBEOZ-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP CCOC(=O)c1c(C)cc(NCC2CC[NH+](C(C)C)CC2)[nH+]c1C ZINC001156501520 1380584708 /nfs/dbraw/zinc/58/47/08/1380584708.db2.gz UMOCYMSLYURYDF-UHFFFAOYSA-N 2 2 333.476 3.407 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617786 1380600243 /nfs/dbraw/zinc/60/02/43/1380600243.db2.gz SPHRELVWHGXKSM-OAHLLOKOSA-N 2 2 334.508 3.058 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617786 1380600244 /nfs/dbraw/zinc/60/02/44/1380600244.db2.gz SPHRELVWHGXKSM-OAHLLOKOSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc2cc(Cl)ccc12 ZINC001158262014 1381176588 /nfs/dbraw/zinc/17/65/88/1381176588.db2.gz QDMFKFNDLHSRSX-OAHLLOKOSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc2cc(Cl)ccc12 ZINC001158262014 1381176592 /nfs/dbraw/zinc/17/65/92/1381176592.db2.gz QDMFKFNDLHSRSX-OAHLLOKOSA-N 2 2 344.890 3.198 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277461 1381182120 /nfs/dbraw/zinc/18/21/20/1381182120.db2.gz SSJKIXPRWAEXSM-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277461 1381182126 /nfs/dbraw/zinc/18/21/26/1381182126.db2.gz SSJKIXPRWAEXSM-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468257 1381254530 /nfs/dbraw/zinc/25/45/30/1381254530.db2.gz PUUJHKSRYSSVRX-SJORKVTESA-N 2 2 346.519 3.333 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468257 1381254536 /nfs/dbraw/zinc/25/45/36/1381254536.db2.gz PUUJHKSRYSSVRX-SJORKVTESA-N 2 2 346.519 3.333 20 0 EGADLP c1ccc(-c2ccc(CNc3ccc(N4CC[NH2+]CC4)c[nH+]3)cc2)nc1 ZINC001158910877 1381460154 /nfs/dbraw/zinc/46/01/54/1381460154.db2.gz CDOMHHJFJOFLKW-UHFFFAOYSA-N 2 2 345.450 3.165 20 0 EGADLP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949403 1381480797 /nfs/dbraw/zinc/48/07/97/1381480797.db2.gz NRYOLJIHNDFNIG-QZTJIDSGSA-N 2 2 334.508 3.022 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949403 1381480802 /nfs/dbraw/zinc/48/08/02/1381480802.db2.gz NRYOLJIHNDFNIG-QZTJIDSGSA-N 2 2 334.508 3.022 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)OCc1ccccc1 ZINC001328351986 1388727792 /nfs/dbraw/zinc/72/77/92/1388727792.db2.gz VBZNBCZWRAXINF-CQSZACIVSA-N 2 2 336.395 3.120 20 0 EGADLP COc1cc(N(CC2CC[NH2+]CC2)c2cccc(F)c2N)cc(C)[nH+]1 ZINC001160081422 1381990803 /nfs/dbraw/zinc/99/08/03/1381990803.db2.gz CBQKGSKVGGRSKK-UHFFFAOYSA-N 2 2 344.434 3.258 20 0 EGADLP CN(C)c1ccc(N(CC2CC[NH2+]CC2)c2c(N)cccc2F)c[nH+]1 ZINC001160121108 1382002763 /nfs/dbraw/zinc/00/27/63/1382002763.db2.gz CNZBCPNAHLLSCB-UHFFFAOYSA-N 2 2 343.450 3.007 20 0 EGADLP COc1cc[nH+]cc1Nc1cccc(F)c1OCC1CC[NH2+]CC1 ZINC001160194820 1382029550 /nfs/dbraw/zinc/02/95/50/1382029550.db2.gz IDXCGRRIKWQVAW-UHFFFAOYSA-N 2 2 331.391 3.351 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001160422727 1382100387 /nfs/dbraw/zinc/10/03/87/1382100387.db2.gz DHPGPHSFWFSTPZ-IBGZPJMESA-N 2 2 344.503 3.019 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001160422727 1382100388 /nfs/dbraw/zinc/10/03/88/1382100388.db2.gz DHPGPHSFWFSTPZ-IBGZPJMESA-N 2 2 344.503 3.019 20 0 EGADLP CC(C)CC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492634 1382121892 /nfs/dbraw/zinc/12/18/92/1382121892.db2.gz WTBBVBIQAYUFIR-UHFFFAOYSA-N 2 2 340.471 3.361 20 0 EGADLP CC(C)CC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492634 1382121893 /nfs/dbraw/zinc/12/18/93/1382121893.db2.gz WTBBVBIQAYUFIR-UHFFFAOYSA-N 2 2 340.471 3.361 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCc2ccccc2C[NH3+])c1)C1CC1 ZINC001160908309 1382230026 /nfs/dbraw/zinc/23/00/26/1382230026.db2.gz LDWQCKLEZBZUKC-SFHVURJKSA-N 2 2 339.439 3.209 20 0 EGADLP COc1cc2cc[nH+]c(N[C@H]3CC[N@@H+](C4CCC4)C3)c2cc1OC ZINC001161178226 1382326508 /nfs/dbraw/zinc/32/65/08/1382326508.db2.gz ZAOYENBFRXOXIF-AWEZNQCLSA-N 2 2 327.428 3.291 20 0 EGADLP COc1cc2cc[nH+]c(N[C@H]3CC[N@H+](C4CCC4)C3)c2cc1OC ZINC001161178226 1382326516 /nfs/dbraw/zinc/32/65/16/1382326516.db2.gz ZAOYENBFRXOXIF-AWEZNQCLSA-N 2 2 327.428 3.291 20 0 EGADLP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184421 1382329960 /nfs/dbraw/zinc/32/99/60/1382329960.db2.gz GZPLXMPIPFIRNH-RDJZCZTQSA-N 2 2 344.503 3.014 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184421 1382329964 /nfs/dbraw/zinc/32/99/64/1382329964.db2.gz GZPLXMPIPFIRNH-RDJZCZTQSA-N 2 2 344.503 3.014 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(NCCCn2cc[nH+]c2)cc1 ZINC001161688615 1382481160 /nfs/dbraw/zinc/48/11/60/1382481160.db2.gz WCWSKDWIIIIJDK-RTBURBONSA-N 2 2 328.460 3.172 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161806142 1382512663 /nfs/dbraw/zinc/51/26/63/1382512663.db2.gz ZUXNHIZFZIEWMK-UHFFFAOYSA-N 2 2 346.519 3.071 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001161806142 1382512669 /nfs/dbraw/zinc/51/26/69/1382512669.db2.gz ZUXNHIZFZIEWMK-UHFFFAOYSA-N 2 2 346.519 3.071 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001162432682 1382757272 /nfs/dbraw/zinc/75/72/72/1382757272.db2.gz GPQDHCUYSJEBRI-SJORKVTESA-N 2 2 342.487 3.260 20 0 EGADLP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c21 ZINC001162987779 1382938645 /nfs/dbraw/zinc/93/86/45/1382938645.db2.gz ZDSXFVOAJOMVIF-UHFFFAOYSA-N 2 2 325.391 3.194 20 0 EGADLP COc1ccc2cc(NCC[C@H]3C[NH2+]Cc4cccn4C3)[nH+]cc2c1 ZINC001163055805 1382955638 /nfs/dbraw/zinc/95/56/38/1382955638.db2.gz GDOLZDNILRSZFG-HNNXBMFYSA-N 2 2 336.439 3.267 20 0 EGADLP Cc1c[nH]c2nc[nH+]c(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)c12 ZINC001165150446 1383237091 /nfs/dbraw/zinc/23/70/91/1383237091.db2.gz VEXZIJOYLUESLL-UHFFFAOYSA-N 2 2 347.466 3.293 20 0 EGADLP Cc1c[nH]c2nc[nH+]c(N3CCC([N@H+]4CCc5ccccc5C4)CC3)c12 ZINC001165150446 1383237096 /nfs/dbraw/zinc/23/70/96/1383237096.db2.gz VEXZIJOYLUESLL-UHFFFAOYSA-N 2 2 347.466 3.293 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc3ccc(C)cc31)CC[NH2+]CC2 ZINC001165353956 1383281174 /nfs/dbraw/zinc/28/11/74/1383281174.db2.gz VSMPQNJWMSRVAN-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165637942 1383318430 /nfs/dbraw/zinc/31/84/30/1383318430.db2.gz OFPCARLONGVFBE-GOSISDBHSA-N 2 2 346.519 3.313 20 0 EGADLP CC(C)=CC[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165637943 1383318764 /nfs/dbraw/zinc/31/87/64/1383318764.db2.gz OFPCARLONGVFBE-SFHVURJKSA-N 2 2 346.519 3.313 20 0 EGADLP CCC(CC)C[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138348 1383394411 /nfs/dbraw/zinc/39/44/11/1383394411.db2.gz LDXGRXDRXQKHML-UHFFFAOYSA-N 2 2 342.487 3.260 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001167427951 1383630992 /nfs/dbraw/zinc/63/09/92/1383630992.db2.gz DMSFMCKIRPZKDP-AEFFLSMTSA-N 2 2 328.460 3.081 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)n1cc[nH+]c1 ZINC001167428983 1383632012 /nfs/dbraw/zinc/63/20/12/1383632012.db2.gz OBXTZYDPQQJLJA-APWZRJJASA-N 2 2 340.471 3.008 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC001167429770 1383632101 /nfs/dbraw/zinc/63/21/01/1383632101.db2.gz XFGVJHANWZUZHS-HUUCEWRRSA-N 2 2 348.878 3.345 20 0 EGADLP Cc1cc2c(s1)N(c1cnc(C[NH3+])nc1)c1ccccc1NC2=[NH2+] ZINC001167463673 1383640345 /nfs/dbraw/zinc/64/03/45/1383640345.db2.gz XNDPQDPIHDJPSY-UHFFFAOYSA-N 2 2 336.424 3.125 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001167826235 1383750486 /nfs/dbraw/zinc/75/04/86/1383750486.db2.gz NASIBMSZHRYPOM-GOSISDBHSA-N 3 2 349.567 3.049 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001167826235 1383750488 /nfs/dbraw/zinc/75/04/88/1383750488.db2.gz NASIBMSZHRYPOM-GOSISDBHSA-N 3 2 349.567 3.049 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001167826235 1383750491 /nfs/dbraw/zinc/75/04/91/1383750491.db2.gz NASIBMSZHRYPOM-GOSISDBHSA-N 3 2 349.567 3.049 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001167834946 1383754213 /nfs/dbraw/zinc/75/42/13/1383754213.db2.gz NYIDZOABNDERCH-IAGOWNOFSA-N 2 2 331.495 3.302 20 0 EGADLP [NH3+]CCc1cn(-c2ccc(Cn3cc[nH+]c3)cc2)c2ccc(O)cc12 ZINC001167986486 1383787859 /nfs/dbraw/zinc/78/78/59/1383787859.db2.gz WZDTUXRPZZYQOE-UHFFFAOYSA-N 2 2 332.407 3.082 20 0 EGADLP COC(=O)CC[N@H+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995674 1383791849 /nfs/dbraw/zinc/79/18/49/1383791849.db2.gz NVICWNPAGAOCCX-JWTNVVGKSA-N 2 2 346.471 3.050 20 0 EGADLP COC(=O)CC[N@@H+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995674 1383791854 /nfs/dbraw/zinc/79/18/54/1383791854.db2.gz NVICWNPAGAOCCX-JWTNVVGKSA-N 2 2 346.471 3.050 20 0 EGADLP COC(=O)CC[NH+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995674 1383791857 /nfs/dbraw/zinc/79/18/57/1383791857.db2.gz NVICWNPAGAOCCX-JWTNVVGKSA-N 2 2 346.471 3.050 20 0 EGADLP COC(=O)CC[NH+](Cc1ccco1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995674 1383791860 /nfs/dbraw/zinc/79/18/60/1383791860.db2.gz NVICWNPAGAOCCX-JWTNVVGKSA-N 2 2 346.471 3.050 20 0 EGADLP C[N@H+](Cc1cccc2c1OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001431 1383793131 /nfs/dbraw/zinc/79/31/31/1383793131.db2.gz BQBTUADSCWWCPW-JWTNVVGKSA-N 2 2 328.456 3.253 20 0 EGADLP C[N@@H+](Cc1cccc2c1OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001431 1383793134 /nfs/dbraw/zinc/79/31/34/1383793134.db2.gz BQBTUADSCWWCPW-JWTNVVGKSA-N 2 2 328.456 3.253 20 0 EGADLP C[NH+](Cc1cccc2c1OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001431 1383793135 /nfs/dbraw/zinc/79/31/35/1383793135.db2.gz BQBTUADSCWWCPW-JWTNVVGKSA-N 2 2 328.456 3.253 20 0 EGADLP C[NH+](Cc1cccc2c1OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001431 1383793142 /nfs/dbraw/zinc/79/31/42/1383793142.db2.gz BQBTUADSCWWCPW-JWTNVVGKSA-N 2 2 328.456 3.253 20 0 EGADLP C[C@@H]1CC([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059891 1383807001 /nfs/dbraw/zinc/80/70/01/1383807001.db2.gz VSCZCWBTKOGFTG-WOIUINJBSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1CC([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059891 1383807005 /nfs/dbraw/zinc/80/70/05/1383807005.db2.gz VSCZCWBTKOGFTG-WOIUINJBSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1CC([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059891 1383807008 /nfs/dbraw/zinc/80/70/08/1383807008.db2.gz VSCZCWBTKOGFTG-WOIUINJBSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1CC([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059891 1383807010 /nfs/dbraw/zinc/80/70/10/1383807010.db2.gz VSCZCWBTKOGFTG-WOIUINJBSA-N 3 2 341.543 3.456 20 0 EGADLP C[N@H+](Cc1cncc(Br)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168378485 1383889520 /nfs/dbraw/zinc/88/95/20/1383889520.db2.gz OLRKAJNNDVZLCQ-UHFFFAOYSA-N 2 2 338.293 3.150 20 0 EGADLP C[N@@H+](Cc1cncc(Br)c1)C1CC[NH+](CC2CC2)CC1 ZINC001168378485 1383889524 /nfs/dbraw/zinc/88/95/24/1383889524.db2.gz OLRKAJNNDVZLCQ-UHFFFAOYSA-N 2 2 338.293 3.150 20 0 EGADLP Cc1cc2sc(N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c(C)c1 ZINC001306963327 1383927310 /nfs/dbraw/zinc/92/73/10/1383927310.db2.gz VPKSQERJXNWZTA-OAHLLOKOSA-N 2 2 344.528 3.494 20 0 EGADLP Cc1cc2sc(N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2c(C)c1 ZINC001306963327 1383927314 /nfs/dbraw/zinc/92/73/14/1383927314.db2.gz VPKSQERJXNWZTA-OAHLLOKOSA-N 2 2 344.528 3.494 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531368 1383998161 /nfs/dbraw/zinc/99/81/61/1383998161.db2.gz SWLHONKASREBTL-TZMCWYRMSA-N 2 2 326.387 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531368 1383998163 /nfs/dbraw/zinc/99/81/63/1383998163.db2.gz SWLHONKASREBTL-TZMCWYRMSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531368 1383998164 /nfs/dbraw/zinc/99/81/64/1383998164.db2.gz SWLHONKASREBTL-TZMCWYRMSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531368 1383998166 /nfs/dbraw/zinc/99/81/66/1383998166.db2.gz SWLHONKASREBTL-TZMCWYRMSA-N 2 2 326.387 3.170 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531362 1383998180 /nfs/dbraw/zinc/99/81/80/1383998180.db2.gz SWLHONKASREBTL-GXTWGEPZSA-N 2 2 326.387 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531362 1383998183 /nfs/dbraw/zinc/99/81/83/1383998183.db2.gz SWLHONKASREBTL-GXTWGEPZSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531362 1383998184 /nfs/dbraw/zinc/99/81/84/1383998184.db2.gz SWLHONKASREBTL-GXTWGEPZSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531362 1383998187 /nfs/dbraw/zinc/99/81/87/1383998187.db2.gz SWLHONKASREBTL-GXTWGEPZSA-N 2 2 326.387 3.170 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COc3cc(Br)ccc31)C2 ZINC001169115008 1384108586 /nfs/dbraw/zinc/10/85/86/1384108586.db2.gz GNGQUQYOXQYHCU-XFMPKHEZSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COc3cc(Br)ccc31)C2 ZINC001169115008 1384108591 /nfs/dbraw/zinc/10/85/91/1384108591.db2.gz GNGQUQYOXQYHCU-XFMPKHEZSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148101 1384114953 /nfs/dbraw/zinc/11/49/53/1384114953.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 3 2 327.516 3.066 20 0 EGADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148101 1384114954 /nfs/dbraw/zinc/11/49/54/1384114954.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148101 1384114956 /nfs/dbraw/zinc/11/49/56/1384114956.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148101 1384114958 /nfs/dbraw/zinc/11/49/58/1384114958.db2.gz YSAMTNNOEGSPCT-UWHLTILDSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc4c(c3)CCC4)[nH+]c2)C1 ZINC001308338306 1384120066 /nfs/dbraw/zinc/12/00/66/1384120066.db2.gz TWBJSMAMQUYZGD-FQEVSTJZSA-N 2 2 336.483 3.323 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001169255254 1384127805 /nfs/dbraw/zinc/12/78/05/1384127805.db2.gz OKHKULBBXGEEGY-IBGZPJMESA-N 2 2 347.528 3.051 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001169255254 1384127806 /nfs/dbraw/zinc/12/78/06/1384127806.db2.gz OKHKULBBXGEEGY-IBGZPJMESA-N 2 2 347.528 3.051 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306180 1384134606 /nfs/dbraw/zinc/13/46/06/1384134606.db2.gz WQHTZBNIQDTZER-OAHAVBBTSA-N 2 2 342.483 3.181 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306180 1384134608 /nfs/dbraw/zinc/13/46/08/1384134608.db2.gz WQHTZBNIQDTZER-OAHAVBBTSA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306180 1384134610 /nfs/dbraw/zinc/13/46/10/1384134610.db2.gz WQHTZBNIQDTZER-OAHAVBBTSA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306180 1384134612 /nfs/dbraw/zinc/13/46/12/1384134612.db2.gz WQHTZBNIQDTZER-OAHAVBBTSA-N 2 2 342.483 3.181 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001308739414 1384146196 /nfs/dbraw/zinc/14/61/96/1384146196.db2.gz BLMDEILZZUTHJA-CYBMUJFWSA-N 2 2 342.940 3.217 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001308739414 1384146198 /nfs/dbraw/zinc/14/61/98/1384146198.db2.gz BLMDEILZZUTHJA-CYBMUJFWSA-N 2 2 342.940 3.217 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001170449272 1384321874 /nfs/dbraw/zinc/32/18/74/1384321874.db2.gz LORFQDDWWRAHAZ-JKSUJKDBSA-N 2 2 327.428 3.273 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359646 1384501754 /nfs/dbraw/zinc/50/17/54/1384501754.db2.gz UCDKGPFYUBRPBX-USXIJHARSA-N 2 2 334.508 3.214 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359646 1384501757 /nfs/dbraw/zinc/50/17/57/1384501757.db2.gz UCDKGPFYUBRPBX-USXIJHARSA-N 2 2 334.508 3.214 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359814 1384501997 /nfs/dbraw/zinc/50/19/97/1384501997.db2.gz VYWQSGJTPGHEOI-CGTJXYLNSA-N 2 2 346.519 3.358 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359814 1384502003 /nfs/dbraw/zinc/50/20/03/1384502003.db2.gz VYWQSGJTPGHEOI-CGTJXYLNSA-N 2 2 346.519 3.358 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475712 1384534579 /nfs/dbraw/zinc/53/45/79/1384534579.db2.gz MWLFQAJAPOPEST-CVEARBPZSA-N 2 2 336.524 3.237 20 0 EGADLP Cc1cccc2c1CC[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566712 1384565423 /nfs/dbraw/zinc/56/54/23/1384565423.db2.gz KUWUYFYTKNBIAM-BHIFYINESA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566712 1384565427 /nfs/dbraw/zinc/56/54/27/1384565427.db2.gz KUWUYFYTKNBIAM-BHIFYINESA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566712 1384565431 /nfs/dbraw/zinc/56/54/31/1384565431.db2.gz KUWUYFYTKNBIAM-BHIFYINESA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566712 1384565436 /nfs/dbraw/zinc/56/54/36/1384565436.db2.gz KUWUYFYTKNBIAM-BHIFYINESA-N 2 2 347.506 3.311 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605736 1384578119 /nfs/dbraw/zinc/57/81/19/1384578119.db2.gz QLKYSWGEIABZDU-MSOLQXFVSA-N 2 2 348.535 3.290 20 0 EGADLP CC(C)(C)OC(=O)C1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001171929361 1384685536 /nfs/dbraw/zinc/68/55/36/1384685536.db2.gz FZFQBVMYRUAXPS-PCKAHOCUSA-N 2 2 333.476 3.423 20 0 EGADLP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171943114 1384690591 /nfs/dbraw/zinc/69/05/91/1384690591.db2.gz WTUGBGVDBKTPIS-QGZVFWFLSA-N 2 2 342.487 3.407 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942339 1384690743 /nfs/dbraw/zinc/69/07/43/1384690743.db2.gz MCICUGACNZGVDH-INIZCTEOSA-N 2 2 340.471 3.161 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942340 1384690974 /nfs/dbraw/zinc/69/09/74/1384690974.db2.gz MCICUGACNZGVDH-MRXNPFEDSA-N 2 2 340.471 3.161 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706234 /nfs/dbraw/zinc/70/62/34/1384706234.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706240 /nfs/dbraw/zinc/70/62/40/1384706240.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706246 /nfs/dbraw/zinc/70/62/46/1384706246.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987315 1384706251 /nfs/dbraw/zinc/70/62/51/1384706251.db2.gz UFQLTCSOTJXBND-IFMALSPDSA-N 3 2 341.543 3.457 20 0 EGADLP Oc1cccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066686 1384716816 /nfs/dbraw/zinc/71/68/16/1384716816.db2.gz FCTGZTUXLVTJGR-LDLYASANSA-N 2 2 337.467 3.463 20 0 EGADLP Oc1cccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066686 1384716818 /nfs/dbraw/zinc/71/68/18/1384716818.db2.gz FCTGZTUXLVTJGR-LDLYASANSA-N 2 2 337.467 3.463 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001172109385 1384727784 /nfs/dbraw/zinc/72/77/84/1384727784.db2.gz CXYAIEYFWVRPSA-BWTSREIZSA-N 2 2 333.907 3.477 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001172109385 1384727787 /nfs/dbraw/zinc/72/77/87/1384727787.db2.gz CXYAIEYFWVRPSA-BWTSREIZSA-N 2 2 333.907 3.477 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172223203 1384751268 /nfs/dbraw/zinc/75/12/68/1384751268.db2.gz PCSWUESNXHOLBU-YQQQUEKLSA-N 2 2 332.463 3.398 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(F)c2F)CC1 ZINC001172250055 1384755904 /nfs/dbraw/zinc/75/59/04/1384755904.db2.gz NITYBAAUKZPUGG-AWEZNQCLSA-N 2 2 326.431 3.425 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1C ZINC001172361729 1384778057 /nfs/dbraw/zinc/77/80/57/1384778057.db2.gz LQKKZCCMICJXGM-GGPKGHCWSA-N 2 2 346.515 3.312 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372339 1384779559 /nfs/dbraw/zinc/77/95/59/1384779559.db2.gz DYLHVCOUQOVWMK-ZACQAIPSSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372339 1384779562 /nfs/dbraw/zinc/77/95/62/1384779562.db2.gz DYLHVCOUQOVWMK-ZACQAIPSSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372339 1384779564 /nfs/dbraw/zinc/77/95/64/1384779564.db2.gz DYLHVCOUQOVWMK-ZACQAIPSSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372339 1384779568 /nfs/dbraw/zinc/77/95/68/1384779568.db2.gz DYLHVCOUQOVWMK-ZACQAIPSSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)COCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172463061 1384797655 /nfs/dbraw/zinc/79/76/55/1384797655.db2.gz JAUBEUBPFKHWGX-KRWDZBQOSA-N 2 2 334.504 3.397 20 0 EGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CCOCC(C)C)CC1 ZINC001172469150 1384799814 /nfs/dbraw/zinc/79/98/14/1384799814.db2.gz RWOJZQHLOKFNRH-KRWDZBQOSA-N 2 2 334.504 3.396 20 0 EGADLP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)cc1 ZINC001172754605 1384844047 /nfs/dbraw/zinc/84/40/47/1384844047.db2.gz XJUKWOWWLYICHD-INIZCTEOSA-N 2 2 348.487 3.065 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001172783691 1384851730 /nfs/dbraw/zinc/85/17/30/1384851730.db2.gz KZRQUHSQKWLDAD-NVXWUHKLSA-N 2 2 327.428 3.303 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)c1 ZINC001172839274 1384862834 /nfs/dbraw/zinc/86/28/34/1384862834.db2.gz OTDGDVMMBCOXFE-IBGZPJMESA-N 2 2 337.467 3.078 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054258 1384902689 /nfs/dbraw/zinc/90/26/89/1384902689.db2.gz MRIZYWWYGPCZEL-CVEARBPZSA-N 2 2 327.513 3.096 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054258 1384902685 /nfs/dbraw/zinc/90/26/85/1384902685.db2.gz MRIZYWWYGPCZEL-CVEARBPZSA-N 2 2 327.513 3.096 20 0 EGADLP C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001173065194 1384905979 /nfs/dbraw/zinc/90/59/79/1384905979.db2.gz JLFAJJLIBWQRHN-BZUAXINKSA-N 2 2 348.491 3.311 20 0 EGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001173072004 1384907802 /nfs/dbraw/zinc/90/78/02/1384907802.db2.gz JBECFDDTTREILK-CYBMUJFWSA-N 2 2 327.350 3.393 20 0 EGADLP Cc1ccc(N(C2Cc3cc(F)c(F)cc3C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001173481359 1384979337 /nfs/dbraw/zinc/97/93/37/1384979337.db2.gz LUCCNZDCXASXRQ-UHFFFAOYSA-N 2 2 343.421 3.394 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001173633095 1384993079 /nfs/dbraw/zinc/99/30/79/1384993079.db2.gz PAMXKFQTJXQXOK-WMLDXEAASA-N 2 2 327.428 3.303 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173664771 1385000077 /nfs/dbraw/zinc/00/00/77/1385000077.db2.gz OCOLNHTYEZFANT-AEFFLSMTSA-N 2 2 345.487 3.070 20 0 EGADLP C[NH+]1CCN(c2cccc(F)c2Nc2cc[nH+]c3ccccc23)CC1 ZINC001174038972 1385049192 /nfs/dbraw/zinc/04/91/92/1385049192.db2.gz HREBAGTWEAYOGM-UHFFFAOYSA-N 2 2 336.414 3.291 20 0 EGADLP Brc1cc(Nc2ccc3[nH+]ccn3c2)c2[nH+]ccn2c1 ZINC001174277540 1385090701 /nfs/dbraw/zinc/09/07/01/1385090701.db2.gz YXYGZRNDEVQNDJ-UHFFFAOYSA-N 2 2 328.173 3.488 20 0 EGADLP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(Cl)cc1 ZINC001317452483 1385150930 /nfs/dbraw/zinc/15/09/30/1385150930.db2.gz ZSNLQNKQMUZLDL-UHFFFAOYSA-N 2 2 342.830 3.078 20 0 EGADLP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccc(Cl)cc1 ZINC001317452483 1385150934 /nfs/dbraw/zinc/15/09/34/1385150934.db2.gz ZSNLQNKQMUZLDL-UHFFFAOYSA-N 2 2 342.830 3.078 20 0 EGADLP c1cc(Nc2ccc(N3CCOCC3)[nH+]c2)ccc1C[NH+]1CCCC1 ZINC001174976969 1385177551 /nfs/dbraw/zinc/17/75/51/1385177551.db2.gz IDUQUORADCEQGL-UHFFFAOYSA-N 2 2 338.455 3.258 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@H]21 ZINC001175069890 1385188903 /nfs/dbraw/zinc/18/89/03/1385188903.db2.gz IYUMQHZWAOXBNU-AERCQKQUSA-N 2 2 340.442 3.397 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C[C@H]21 ZINC001175069890 1385188905 /nfs/dbraw/zinc/18/89/05/1385188905.db2.gz IYUMQHZWAOXBNU-AERCQKQUSA-N 2 2 340.442 3.397 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175639472 1385359697 /nfs/dbraw/zinc/35/96/97/1385359697.db2.gz ZSKZATQWCKFCDG-HZPDHXFCSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175639472 1385359704 /nfs/dbraw/zinc/35/97/04/1385359704.db2.gz ZSKZATQWCKFCDG-HZPDHXFCSA-N 2 2 336.524 3.289 20 0 EGADLP CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175703409 1385377975 /nfs/dbraw/zinc/37/79/75/1385377975.db2.gz AJLPIGUHQOVHQW-QGZVFWFLSA-N 2 2 344.503 3.250 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3c[nH+]ccc3OC)cc2F)CC1 ZINC001176120607 1385490359 /nfs/dbraw/zinc/49/03/59/1385490359.db2.gz GQMRJFIZTWRNPG-UHFFFAOYSA-N 2 2 330.407 3.115 20 0 EGADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001317902534 1385565555 /nfs/dbraw/zinc/56/55/55/1385565555.db2.gz FWXILXSRGZEPES-FQEVSTJZSA-N 2 2 348.531 3.158 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810550 1385710137 /nfs/dbraw/zinc/71/01/37/1385710137.db2.gz LPZJERNMWCFISF-WRFKIARRSA-N 2 2 334.508 3.284 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810547 1385710522 /nfs/dbraw/zinc/71/05/22/1385710522.db2.gz LPZJERNMWCFISF-SHCNBLLESA-N 2 2 334.508 3.284 20 0 EGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]Cc1ccccc1 ZINC001318554754 1385752885 /nfs/dbraw/zinc/75/28/85/1385752885.db2.gz CRKGBVLSHAMDSW-SFHVURJKSA-N 2 2 325.456 3.305 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177436784 1385956877 /nfs/dbraw/zinc/95/68/77/1385956877.db2.gz KOMKYUWBVHQSRW-QGZVFWFLSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177436784 1385956884 /nfs/dbraw/zinc/95/68/84/1385956884.db2.gz KOMKYUWBVHQSRW-QGZVFWFLSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001319220036 1386011390 /nfs/dbraw/zinc/01/13/90/1386011390.db2.gz XXJMWKBNIFQFQM-AWEZNQCLSA-N 2 2 325.456 3.163 20 0 EGADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]Cc1cccc(Cl)c1 ZINC001319252237 1386026559 /nfs/dbraw/zinc/02/65/59/1386026559.db2.gz YSUMWJSBYJHBDO-LSDHHAIUSA-N 2 2 348.878 3.030 20 0 EGADLP C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001178409426 1386209381 /nfs/dbraw/zinc/20/93/81/1386209381.db2.gz SPYKQQAWFOIJHJ-AWEZNQCLSA-N 2 2 348.406 3.168 20 0 EGADLP O=C(NCCCCCC[NH2+]CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752359 1386294004 /nfs/dbraw/zinc/29/40/04/1386294004.db2.gz NPHHRJAKCSNPLN-QZTJIDSGSA-N 2 2 346.519 3.360 20 0 EGADLP O=C(NCCCCCC[NH2+]CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752359 1386294008 /nfs/dbraw/zinc/29/40/08/1386294008.db2.gz NPHHRJAKCSNPLN-QZTJIDSGSA-N 2 2 346.519 3.360 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001319817122 1386312800 /nfs/dbraw/zinc/31/28/00/1386312800.db2.gz MWEIURSBZNRYEY-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001178811432 1386313762 /nfs/dbraw/zinc/31/37/62/1386313762.db2.gz VUZNCBSPEMENIK-UHFFFAOYSA-N 2 2 349.519 3.335 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852039 1386328606 /nfs/dbraw/zinc/32/86/06/1386328606.db2.gz KFEHOJIKWHUIFF-DDKKJVIOSA-N 2 2 346.519 3.068 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178865020 1386332989 /nfs/dbraw/zinc/33/29/89/1386332989.db2.gz NDCUXMGDWMLIFY-WHLIDYPQSA-N 2 2 346.519 3.068 20 0 EGADLP C[C@@H](CC(=O)NCCCCCC[NH2+]CC1CC(C)C1)n1cc[nH+]c1 ZINC001179705623 1386560793 /nfs/dbraw/zinc/56/07/93/1386560793.db2.gz KIMMWWMWQLQCOJ-ADKAHSJRSA-N 2 2 334.508 3.147 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001179840573 1386603925 /nfs/dbraw/zinc/60/39/25/1386603925.db2.gz HBDPSPJYIHOJBE-LPHOPBHVSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC001179907043 1386624300 /nfs/dbraw/zinc/62/43/00/1386624300.db2.gz UFLJWMATKYTHBB-HNNXBMFYSA-N 2 2 346.450 3.119 20 0 EGADLP CC[NH2+]C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC[C@H]1C ZINC001698658126 1406308762 /nfs/dbraw/zinc/30/87/62/1406308762.db2.gz CAUIRIIVBCWCRH-OXQOHEQNSA-N 2 2 340.471 3.161 20 0 EGADLP CCCCC[NH2+]C[C@]1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001182116258 1387108355 /nfs/dbraw/zinc/10/83/55/1387108355.db2.gz LIDSCENWIRNTCV-OXQOHEQNSA-N 2 2 342.487 3.212 20 0 EGADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001332507298 1390129329 /nfs/dbraw/zinc/12/93/29/1390129329.db2.gz NFHMJTDSNCAXEW-BEFAXECRSA-N 2 2 338.455 3.095 20 0 EGADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001332507298 1390129332 /nfs/dbraw/zinc/12/93/32/1390129332.db2.gz NFHMJTDSNCAXEW-BEFAXECRSA-N 2 2 338.455 3.095 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001345632069 1390870536 /nfs/dbraw/zinc/87/05/36/1390870536.db2.gz ISMGUBFIVZVQOE-INIZCTEOSA-N 2 2 340.471 3.366 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001345632069 1390870538 /nfs/dbraw/zinc/87/05/38/1390870538.db2.gz ISMGUBFIVZVQOE-INIZCTEOSA-N 2 2 340.471 3.366 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccnc2N(C)C)CC1 ZINC001346906258 1390986240 /nfs/dbraw/zinc/98/62/40/1390986240.db2.gz SXRNJCILQOLLEE-UHFFFAOYSA-N 2 2 338.499 3.210 20 0 EGADLP C[C@H]([NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001486485066 1391012722 /nfs/dbraw/zinc/01/27/22/1391012722.db2.gz ZAZXJLAYLMHYDY-IVMQYODDSA-N 2 2 340.471 3.004 20 0 EGADLP CC1(C)CCC(C[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001479370850 1392227094 /nfs/dbraw/zinc/22/70/94/1392227094.db2.gz DMXDBEVNYATQQS-SAABIXHNSA-N 2 2 346.519 3.043 20 0 EGADLP CC1(C)CCC(C[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001479370850 1392227096 /nfs/dbraw/zinc/22/70/96/1392227096.db2.gz DMXDBEVNYATQQS-SAABIXHNSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001479371714 1392227511 /nfs/dbraw/zinc/22/75/11/1392227511.db2.gz VZPIOHUODPOOMS-YWTNHNAXSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001479371714 1392227512 /nfs/dbraw/zinc/22/75/12/1392227512.db2.gz VZPIOHUODPOOMS-YWTNHNAXSA-N 2 2 346.519 3.043 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001480088476 1392578127 /nfs/dbraw/zinc/57/81/27/1392578127.db2.gz IRIQAHZQANMBBM-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001480088476 1392578130 /nfs/dbraw/zinc/57/81/30/1392578130.db2.gz IRIQAHZQANMBBM-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001482334812 1394903832 /nfs/dbraw/zinc/90/38/32/1394903832.db2.gz APSXFFWQPNZFMM-HZPDHXFCSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001482498883 1395050775 /nfs/dbraw/zinc/05/07/75/1395050775.db2.gz NXYSMSXIRFVJJW-VQIMIIECSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001482544474 1395081309 /nfs/dbraw/zinc/08/13/09/1395081309.db2.gz FXIRAFUQDILJLP-PKOBYXMFSA-N 2 2 342.487 3.073 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001492115337 1396305483 /nfs/dbraw/zinc/30/54/83/1396305483.db2.gz RYIVYUZZYJUFKM-CHWSQXEVSA-N 2 2 348.878 3.160 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496091253 1396600372 /nfs/dbraw/zinc/60/03/72/1396600372.db2.gz ACVDLBPRVLBEQK-CABCVRRESA-N 2 2 336.439 3.374 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001699011080 1406840693 /nfs/dbraw/zinc/84/06/93/1406840693.db2.gz MCLYEICLYXRAEW-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001699011080 1406840699 /nfs/dbraw/zinc/84/06/99/1406840699.db2.gz MCLYEICLYXRAEW-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP C[C@H](C[N@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393553 1396986039 /nfs/dbraw/zinc/98/60/39/1396986039.db2.gz WRPYAUZTGHBRTK-KLAILNCOSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@H](C[N@@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498393553 1396986046 /nfs/dbraw/zinc/98/60/46/1396986046.db2.gz WRPYAUZTGHBRTK-KLAILNCOSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001690846989 1404774625 /nfs/dbraw/zinc/77/46/25/1404774625.db2.gz XLHGAJYFVKEMJF-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001690846989 1404774628 /nfs/dbraw/zinc/77/46/28/1404774628.db2.gz XLHGAJYFVKEMJF-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001690980264 1404891114 /nfs/dbraw/zinc/89/11/14/1404891114.db2.gz BOESVJZJKKZXNF-QAPCUYQASA-N 2 2 346.450 3.173 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001690980264 1404891118 /nfs/dbraw/zinc/89/11/18/1404891118.db2.gz BOESVJZJKKZXNF-QAPCUYQASA-N 2 2 346.450 3.173 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001732087123 1428348100 /nfs/dbraw/zinc/34/81/00/1428348100.db2.gz QMMSBTMPPHYZPR-SFHVURJKSA-N 2 2 348.535 3.126 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001732087123 1428348102 /nfs/dbraw/zinc/34/81/02/1428348102.db2.gz QMMSBTMPPHYZPR-SFHVURJKSA-N 2 2 348.535 3.126 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001732478997 1428605288 /nfs/dbraw/zinc/60/52/88/1428605288.db2.gz YHDXDFVOZYUSLT-GOSISDBHSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001732595433 1428830283 /nfs/dbraw/zinc/83/02/83/1428830283.db2.gz RSXARXFFCFCLEX-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001732595433 1428830289 /nfs/dbraw/zinc/83/02/89/1428830289.db2.gz RSXARXFFCFCLEX-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001732595433 1428830291 /nfs/dbraw/zinc/83/02/91/1428830291.db2.gz RSXARXFFCFCLEX-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001732595433 1428830301 /nfs/dbraw/zinc/83/03/01/1428830301.db2.gz RSXARXFFCFCLEX-DLBZAZTESA-N 2 2 342.487 3.048 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053245 1429192879 /nfs/dbraw/zinc/19/28/79/1429192879.db2.gz IBYSHGCVTGZTRB-SUMWQHHRSA-N 2 2 348.878 3.193 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053245 1429192881 /nfs/dbraw/zinc/19/28/81/1429192881.db2.gz IBYSHGCVTGZTRB-SUMWQHHRSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC001713169587 1417742620 /nfs/dbraw/zinc/74/26/20/1417742620.db2.gz IXGQBJZPMDMYCL-PSBWJHGTSA-N 2 2 340.471 3.141 20 0 EGADLP C[N@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713402123 1418025804 /nfs/dbraw/zinc/02/58/04/1418025804.db2.gz ZYPBFGVNLSBBTR-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001713402123 1418025807 /nfs/dbraw/zinc/02/58/07/1418025807.db2.gz ZYPBFGVNLSBBTR-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CC[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC001713489519 1418187292 /nfs/dbraw/zinc/18/72/92/1418187292.db2.gz YACWWXCXQWSESN-UHFFFAOYSA-N 2 2 348.450 3.124 20 0 EGADLP CC[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC001713489519 1418187294 /nfs/dbraw/zinc/18/72/94/1418187294.db2.gz YACWWXCXQWSESN-UHFFFAOYSA-N 2 2 348.450 3.124 20 0 EGADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1cccc(Cl)c1 ZINC001713940439 1418728993 /nfs/dbraw/zinc/72/89/93/1418728993.db2.gz DUKPIZPCMBHUIL-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1cccc(Cl)c1 ZINC001713940439 1418728996 /nfs/dbraw/zinc/72/89/96/1418728996.db2.gz DUKPIZPCMBHUIL-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1cccc(Cl)c1 ZINC001713940439 1418728999 /nfs/dbraw/zinc/72/89/99/1418728999.db2.gz DUKPIZPCMBHUIL-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1cccc(Cl)c1 ZINC001713940439 1418729003 /nfs/dbraw/zinc/72/90/03/1418729003.db2.gz DUKPIZPCMBHUIL-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001714330728 1419110266 /nfs/dbraw/zinc/11/02/66/1419110266.db2.gz VQXUCUVGTRJAGH-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714606973 1419365704 /nfs/dbraw/zinc/36/57/04/1419365704.db2.gz JZYFTWICYAYAQV-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001714813055 1419523793 /nfs/dbraw/zinc/52/37/93/1419523793.db2.gz FTSJGOWPPWLDJZ-OAHLLOKOSA-N 2 2 346.519 3.058 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714858736 1419577973 /nfs/dbraw/zinc/57/79/73/1419577973.db2.gz CZKCGNCWSFRMGT-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714858736 1419577975 /nfs/dbraw/zinc/57/79/75/1419577975.db2.gz CZKCGNCWSFRMGT-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001715957470 1420423669 /nfs/dbraw/zinc/42/36/69/1420423669.db2.gz LVBSEZNXOSMTRH-WBMJQRKESA-N 2 2 348.878 3.160 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001716797791 1420931029 /nfs/dbraw/zinc/93/10/29/1420931029.db2.gz XLFQJDHBLHBYGK-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001724104557 1424666505 /nfs/dbraw/zinc/66/65/05/1424666505.db2.gz YIPPYXYHNLIUIJ-LJQANCHMSA-N 2 2 346.519 3.106 20 0 EGADLP CC1(CNC(=O)CCn2cc[nH+]c2)CC[NH+](CCCC2CCC2)CC1 ZINC001724295439 1424781609 /nfs/dbraw/zinc/78/16/09/1424781609.db2.gz VJRFEQSAUWCQON-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001724791086 1425157640 /nfs/dbraw/zinc/15/76/40/1425157640.db2.gz ZUIXPJPGEQHSHB-MRXNPFEDSA-N 2 2 342.487 3.259 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001724835589 1425182340 /nfs/dbraw/zinc/18/23/40/1425182340.db2.gz JPWJXXMTKXCGEI-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001724835589 1425182341 /nfs/dbraw/zinc/18/23/41/1425182341.db2.gz JPWJXXMTKXCGEI-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)cc2C1 ZINC001724924174 1425315023 /nfs/dbraw/zinc/31/50/23/1425315023.db2.gz VNPHJCNHHCBTMU-HNNXBMFYSA-N 2 2 340.471 3.020 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)cc2C1 ZINC001724924174 1425315025 /nfs/dbraw/zinc/31/50/25/1425315025.db2.gz VNPHJCNHHCBTMU-HNNXBMFYSA-N 2 2 340.471 3.020 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)cc2C1 ZINC001724924174 1425315031 /nfs/dbraw/zinc/31/50/31/1425315031.db2.gz VNPHJCNHHCBTMU-HNNXBMFYSA-N 2 2 340.471 3.020 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)cc2C1 ZINC001724924174 1425315034 /nfs/dbraw/zinc/31/50/34/1425315034.db2.gz VNPHJCNHHCBTMU-HNNXBMFYSA-N 2 2 340.471 3.020 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734046711 1437835923 /nfs/dbraw/zinc/83/59/23/1437835923.db2.gz HFKAGDZRVCIYQI-INIZCTEOSA-N 2 2 342.487 3.359 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734046711 1437835926 /nfs/dbraw/zinc/83/59/26/1437835926.db2.gz HFKAGDZRVCIYQI-INIZCTEOSA-N 2 2 342.487 3.359 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734106596 1437892995 /nfs/dbraw/zinc/89/29/95/1437892995.db2.gz RAELZJSYFTWXFR-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734106596 1437892996 /nfs/dbraw/zinc/89/29/96/1437892996.db2.gz RAELZJSYFTWXFR-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001734336740 1438058729 /nfs/dbraw/zinc/05/87/29/1438058729.db2.gz JWUQDGLPVOEWLU-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)n1cc[nH+]c1 ZINC001752768701 1440205924 /nfs/dbraw/zinc/20/59/24/1440205924.db2.gz KTIFANHTNYEQRS-RYQLBKOJSA-N 2 2 344.503 3.041 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccccc1C1CC1 ZINC001752889014 1440240482 /nfs/dbraw/zinc/24/04/82/1440240482.db2.gz YJCHAPACCRNVIA-HNNXBMFYSA-N 2 2 348.450 3.120 20 0 EGADLP C[C@@H](CC(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001753279112 1440346917 /nfs/dbraw/zinc/34/69/17/1440346917.db2.gz ASKPZTFDHWQHMU-IRXDYDNUSA-N 2 2 348.535 3.487 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329503 1440368573 /nfs/dbraw/zinc/36/85/73/1440368573.db2.gz CHQIQHQQQRWRSJ-KDOFPFPSSA-N 2 2 331.504 3.495 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329503 1440368574 /nfs/dbraw/zinc/36/85/74/1440368574.db2.gz CHQIQHQQQRWRSJ-KDOFPFPSSA-N 2 2 331.504 3.495 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753457997 1440409147 /nfs/dbraw/zinc/40/91/47/1440409147.db2.gz CFCCNUZAUFMMDC-IAGOWNOFSA-N 2 2 334.508 3.193 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753457997 1440409148 /nfs/dbraw/zinc/40/91/48/1440409148.db2.gz CFCCNUZAUFMMDC-IAGOWNOFSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1)n1cc[nH+]c1 ZINC001753525297 1440429552 /nfs/dbraw/zinc/42/95/52/1440429552.db2.gz WOUVQRNKYOUNRF-YWZLYKJASA-N 2 2 346.519 3.145 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC(CC[NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001753570600 1440438421 /nfs/dbraw/zinc/43/84/21/1440438421.db2.gz INQSMMLYQICNPY-GOSISDBHSA-N 2 2 334.508 3.097 20 0 EGADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001753626364 1440451398 /nfs/dbraw/zinc/45/13/98/1440451398.db2.gz FUONWIUGPYYHDG-CABCVRRESA-N 2 2 348.878 3.030 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C[NH2+]C/C=C\Cl ZINC001753806743 1440491877 /nfs/dbraw/zinc/49/18/77/1440491877.db2.gz DLACYJVOMQZDOF-KOJUSVCNSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C[NH2+]C/C=C/Cl ZINC001753806744 1440491879 /nfs/dbraw/zinc/49/18/79/1440491879.db2.gz DLACYJVOMQZDOF-KTMRRAOWSA-N 2 2 346.862 3.146 20 0 EGADLP CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753819481 1440495194 /nfs/dbraw/zinc/49/51/94/1440495194.db2.gz UBGSSECVKJGOIQ-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[N@@H+](C)CC2CCCC2)CC1 ZINC001753823485 1440497278 /nfs/dbraw/zinc/49/72/78/1440497278.db2.gz JYNHWEARXDJGSH-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[N@H+](C)CC2CCCC2)CC1 ZINC001753823485 1440497279 /nfs/dbraw/zinc/49/72/79/1440497279.db2.gz JYNHWEARXDJGSH-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CCN(CC[NH2+]CCC1CCCCC1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001754051834 1440535823 /nfs/dbraw/zinc/53/58/23/1440535823.db2.gz PTRGXCZAIJAHJE-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001754176509 1440547631 /nfs/dbraw/zinc/54/76/31/1440547631.db2.gz GTFPRBHCLNIANN-KKSLTYSGSA-N 2 2 340.471 3.166 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001754344057 1440589440 /nfs/dbraw/zinc/58/94/40/1440589440.db2.gz DRJQPHZAHPDMNX-HKUYNNGSSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001754344057 1440589441 /nfs/dbraw/zinc/58/94/41/1440589441.db2.gz DRJQPHZAHPDMNX-HKUYNNGSSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCF)c(C)[nH+]1 ZINC001754344456 1440589446 /nfs/dbraw/zinc/58/94/46/1440589446.db2.gz DGXFCMUCQHNRGE-IAGOWNOFSA-N 2 2 335.467 3.245 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001754526137 1440621152 /nfs/dbraw/zinc/62/11/52/1440621152.db2.gz GVZXVPHKJPIEBF-OAHLLOKOSA-N 2 2 340.471 3.075 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677311 1440660561 /nfs/dbraw/zinc/66/05/61/1440660561.db2.gz DGBFOUDSBZYEHN-QUCCMNQESA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677311 1440660562 /nfs/dbraw/zinc/66/05/62/1440660562.db2.gz DGBFOUDSBZYEHN-QUCCMNQESA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)=CC(=O)NCC[NH+]1CCC([NH2+]Cc2cc(C)sc2C)CC1 ZINC001754847505 1440699635 /nfs/dbraw/zinc/69/96/35/1440699635.db2.gz RBIMXKUQPPWSPQ-UHFFFAOYSA-N 2 2 349.544 3.001 20 0 EGADLP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001755070730 1440746389 /nfs/dbraw/zinc/74/63/89/1440746389.db2.gz RNPMFDGTFNPPDE-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001755242342 1440789680 /nfs/dbraw/zinc/78/96/80/1440789680.db2.gz BJPMBSLYFPQITN-HZPDHXFCSA-N 2 2 340.471 3.321 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)CC1CCCCCC1 ZINC001755304686 1440810142 /nfs/dbraw/zinc/81/01/42/1440810142.db2.gz BLGIHPJUJPVVIX-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001755304686 1440810143 /nfs/dbraw/zinc/81/01/43/1440810143.db2.gz BLGIHPJUJPVVIX-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP CCCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001755352093 1440828236 /nfs/dbraw/zinc/82/82/36/1440828236.db2.gz NTTXCLQAIBSDHG-UHFFFAOYSA-N 2 2 328.460 3.157 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412537 1440847045 /nfs/dbraw/zinc/84/70/45/1440847045.db2.gz VEJYBBALINEEMI-FUHWJXTLSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412537 1440847046 /nfs/dbraw/zinc/84/70/46/1440847046.db2.gz VEJYBBALINEEMI-FUHWJXTLSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)=CC[NH2+]CCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755516588 1440864259 /nfs/dbraw/zinc/86/42/59/1440864259.db2.gz OYJDJZMZMIGEJS-KRWDZBQOSA-N 2 2 342.487 3.026 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736662 1440911099 /nfs/dbraw/zinc/91/10/99/1440911099.db2.gz YTBQKLVSXHIATJ-ZWKOTPCHSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736662 1440911100 /nfs/dbraw/zinc/91/11/00/1440911100.db2.gz YTBQKLVSXHIATJ-ZWKOTPCHSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001755836936 1440930558 /nfs/dbraw/zinc/93/05/58/1440930558.db2.gz FTZXHXBYCOQCGF-SFHVURJKSA-N 2 2 348.535 3.352 20 0 EGADLP CC(C)C[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(F)c1 ZINC001755901736 1440944135 /nfs/dbraw/zinc/94/41/35/1440944135.db2.gz BHZXAPFTALCHBD-OAHLLOKOSA-N 2 2 346.450 3.035 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1NCC1CC1 ZINC001165046176 721964592 /nfs/dbraw/zinc/96/45/92/721964592.db2.gz ICYNVPNAPSHQTK-GOSISDBHSA-N 2 2 343.519 3.452 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368521761 168368268 /nfs/dbraw/zinc/36/82/68/168368268.db2.gz IKURWNOVTMINTD-GOSISDBHSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368521761 168368271 /nfs/dbraw/zinc/36/82/71/168368271.db2.gz IKURWNOVTMINTD-GOSISDBHSA-N 2 2 332.879 3.075 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000368997641 168389701 /nfs/dbraw/zinc/38/97/01/168389701.db2.gz GKWSBSMZUOAXAA-GOSISDBHSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000368997641 168389702 /nfs/dbraw/zinc/38/97/02/168389702.db2.gz GKWSBSMZUOAXAA-GOSISDBHSA-N 2 2 335.455 3.294 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459628 548023419 /nfs/dbraw/zinc/02/34/19/548023419.db2.gz AESXPQLTAQLMFP-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459628 548023423 /nfs/dbraw/zinc/02/34/23/548023423.db2.gz AESXPQLTAQLMFP-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cscc2Br)C1 ZINC000520459628 548023425 /nfs/dbraw/zinc/02/34/25/548023425.db2.gz AESXPQLTAQLMFP-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cscc2Br)C1 ZINC000520459628 548023430 /nfs/dbraw/zinc/02/34/30/548023430.db2.gz AESXPQLTAQLMFP-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP CC[C@H](NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878059 529618465 /nfs/dbraw/zinc/61/84/65/529618465.db2.gz DBEDVMDWDGAYTJ-RBUKOAKNSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878059 529618467 /nfs/dbraw/zinc/61/84/67/529618467.db2.gz DBEDVMDWDGAYTJ-RBUKOAKNSA-N 2 2 326.488 3.371 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Br)cn1 ZINC000173961582 529929878 /nfs/dbraw/zinc/92/98/78/529929878.db2.gz ZFADJGQORBTLBO-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(Br)cn1 ZINC000173961582 529929879 /nfs/dbraw/zinc/92/98/79/529929879.db2.gz ZFADJGQORBTLBO-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(Br)cn1 ZINC000173961582 529929880 /nfs/dbraw/zinc/92/98/80/529929880.db2.gz ZFADJGQORBTLBO-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Br)cn1 ZINC000173961582 529929881 /nfs/dbraw/zinc/92/98/81/529929881.db2.gz ZFADJGQORBTLBO-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178208606 232109275 /nfs/dbraw/zinc/10/92/75/232109275.db2.gz CMFMWASSEIUTHI-QGZVFWFLSA-N 2 2 344.503 3.045 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178208606 232109278 /nfs/dbraw/zinc/10/92/78/232109278.db2.gz CMFMWASSEIUTHI-QGZVFWFLSA-N 2 2 344.503 3.045 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462535 232175071 /nfs/dbraw/zinc/17/50/71/232175071.db2.gz NWLJETDNLJTXKN-YJBOKZPZSA-N 2 2 328.460 3.179 20 0 EGADLP Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000178462535 232175074 /nfs/dbraw/zinc/17/50/74/232175074.db2.gz NWLJETDNLJTXKN-YJBOKZPZSA-N 2 2 328.460 3.179 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccsc1 ZINC000068414260 215306405 /nfs/dbraw/zinc/30/64/05/215306405.db2.gz ZQFHWQQZFXOCKI-MRXNPFEDSA-N 2 2 342.468 3.209 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181099799 234086039 /nfs/dbraw/zinc/08/60/39/234086039.db2.gz PUOVMEBXVBVVCP-UHFFFAOYSA-N 2 2 332.473 3.179 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181099799 234086043 /nfs/dbraw/zinc/08/60/43/234086043.db2.gz PUOVMEBXVBVVCP-UHFFFAOYSA-N 2 2 332.473 3.179 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000361216046 283323504 /nfs/dbraw/zinc/32/35/04/283323504.db2.gz LHHOPBFORXVINA-ROUUACIJSA-N 2 2 349.906 3.037 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000361216046 283323507 /nfs/dbraw/zinc/32/35/07/283323507.db2.gz LHHOPBFORXVINA-ROUUACIJSA-N 2 2 349.906 3.037 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000130478653 223155334 /nfs/dbraw/zinc/15/53/34/223155334.db2.gz SUIRQRYDHGZJPE-UHFFFAOYSA-N 2 2 328.460 3.276 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000130492821 223157802 /nfs/dbraw/zinc/15/78/02/223157802.db2.gz LVXCFCNWNZHXFC-UHFFFAOYSA-N 2 2 331.851 3.254 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000130492821 223157805 /nfs/dbraw/zinc/15/78/05/223157805.db2.gz LVXCFCNWNZHXFC-UHFFFAOYSA-N 2 2 331.851 3.254 20 0 EGADLP CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000245616015 243137385 /nfs/dbraw/zinc/13/73/85/243137385.db2.gz MQFSWCPYUWMQLN-MGPQQGTHSA-N 2 2 335.477 3.163 20 0 EGADLP CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000245616015 243137390 /nfs/dbraw/zinc/13/73/90/243137390.db2.gz MQFSWCPYUWMQLN-MGPQQGTHSA-N 2 2 335.477 3.163 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)c3cccnc3)c2cc1C ZINC000245623912 243139252 /nfs/dbraw/zinc/13/92/52/243139252.db2.gz OLKQRBZBXHDYCT-SJLPKXTDSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)c3cccnc3)c2cc1C ZINC000245623912 243139258 /nfs/dbraw/zinc/13/92/58/243139258.db2.gz OLKQRBZBXHDYCT-SJLPKXTDSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246337801 243234060 /nfs/dbraw/zinc/23/40/60/243234060.db2.gz HPINLKIXEAHAPQ-IRXDYDNUSA-N 2 2 331.504 3.329 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246337801 243234062 /nfs/dbraw/zinc/23/40/62/243234062.db2.gz HPINLKIXEAHAPQ-IRXDYDNUSA-N 2 2 331.504 3.329 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCOC1 ZINC000179508555 296129722 /nfs/dbraw/zinc/12/97/22/296129722.db2.gz FRMVRXQPFXQJKG-OYUZRVEBSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCOC1 ZINC000179508555 296129723 /nfs/dbraw/zinc/12/97/23/296129723.db2.gz FRMVRXQPFXQJKG-OYUZRVEBSA-N 2 2 340.870 3.487 20 0 EGADLP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262538174 245024252 /nfs/dbraw/zinc/02/42/52/245024252.db2.gz QQRBTAGEPKXZMI-ZDUSSCGKSA-N 2 2 331.803 3.009 20 0 EGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000262683450 245118034 /nfs/dbraw/zinc/11/80/34/245118034.db2.gz WXSKITRKRJCRKC-KRWDZBQOSA-N 2 2 326.444 3.198 20 0 EGADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000264927291 247052745 /nfs/dbraw/zinc/05/27/45/247052745.db2.gz VQGFSZPIELXEFV-MRXNPFEDSA-N 2 2 325.412 3.040 20 0 EGADLP Cc1nc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000266089655 248089799 /nfs/dbraw/zinc/08/97/99/248089799.db2.gz DMORFBWUSZGCPJ-GJZGRUSLSA-N 2 2 326.444 3.006 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2cccs2)n1 ZINC000378439341 169121237 /nfs/dbraw/zinc/12/12/37/169121237.db2.gz ORMHCPDNYOGOOG-CYBMUJFWSA-N 2 2 327.457 3.251 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2cccs2)n1 ZINC000378439341 169121242 /nfs/dbraw/zinc/12/12/42/169121242.db2.gz ORMHCPDNYOGOOG-CYBMUJFWSA-N 2 2 327.457 3.251 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043201 218109279 /nfs/dbraw/zinc/10/92/79/218109279.db2.gz LXPQTFVJRUZLLH-GUYCJALGSA-N 2 2 346.425 3.271 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043201 218109281 /nfs/dbraw/zinc/10/92/81/218109281.db2.gz LXPQTFVJRUZLLH-GUYCJALGSA-N 2 2 346.425 3.271 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043201 218109282 /nfs/dbraw/zinc/10/92/82/218109282.db2.gz LXPQTFVJRUZLLH-GUYCJALGSA-N 2 2 346.425 3.271 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CC[C@@H]21 ZINC000092043201 218109284 /nfs/dbraw/zinc/10/92/84/218109284.db2.gz LXPQTFVJRUZLLH-GUYCJALGSA-N 2 2 346.425 3.271 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC(F)F ZINC000093597621 218233917 /nfs/dbraw/zinc/23/39/17/218233917.db2.gz MMCMGXDOPOTPNY-HNNXBMFYSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC(F)F ZINC000093597621 218233919 /nfs/dbraw/zinc/23/39/19/218233919.db2.gz MMCMGXDOPOTPNY-HNNXBMFYSA-N 2 2 340.414 3.214 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770286 218248273 /nfs/dbraw/zinc/24/82/73/218248273.db2.gz PNFOEZMSZVQDPY-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770286 218248276 /nfs/dbraw/zinc/24/82/76/218248276.db2.gz PNFOEZMSZVQDPY-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770286 218248280 /nfs/dbraw/zinc/24/82/80/218248280.db2.gz PNFOEZMSZVQDPY-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770286 218248283 /nfs/dbraw/zinc/24/82/83/218248283.db2.gz PNFOEZMSZVQDPY-GOSISDBHSA-N 2 2 339.483 3.434 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000352805122 296313905 /nfs/dbraw/zinc/31/39/05/296313905.db2.gz RARLIILJYSTLMF-CVEARBPZSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000352805122 296313907 /nfs/dbraw/zinc/31/39/07/296313907.db2.gz RARLIILJYSTLMF-CVEARBPZSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000352805122 296313908 /nfs/dbraw/zinc/31/39/08/296313908.db2.gz RARLIILJYSTLMF-CVEARBPZSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000352805122 296313911 /nfs/dbraw/zinc/31/39/11/296313911.db2.gz RARLIILJYSTLMF-CVEARBPZSA-N 2 2 336.549 3.296 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268811938 252264119 /nfs/dbraw/zinc/26/41/19/252264119.db2.gz MGIBJDPBGHHFPN-UHFFFAOYSA-N 3 2 332.879 3.099 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849921 252297251 /nfs/dbraw/zinc/29/72/51/252297251.db2.gz WFRICVXYQMDORV-DOTOQJQBSA-N 2 2 339.487 3.019 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849921 252297255 /nfs/dbraw/zinc/29/72/55/252297255.db2.gz WFRICVXYQMDORV-DOTOQJQBSA-N 2 2 339.487 3.019 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)co2)cc1 ZINC000118841322 221193772 /nfs/dbraw/zinc/19/37/72/221193772.db2.gz SSLDOVJGNFFRIX-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)co2)cc1 ZINC000118841322 221193776 /nfs/dbraw/zinc/19/37/76/221193776.db2.gz SSLDOVJGNFFRIX-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2nc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)co2)cc1 ZINC000118841322 221193779 /nfs/dbraw/zinc/19/37/79/221193779.db2.gz SSLDOVJGNFFRIX-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2nc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)co2)cc1 ZINC000118841322 221193782 /nfs/dbraw/zinc/19/37/82/221193782.db2.gz SSLDOVJGNFFRIX-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841267 221194080 /nfs/dbraw/zinc/19/40/80/221194080.db2.gz ZBVFRFSYNIIALP-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841267 221194081 /nfs/dbraw/zinc/19/40/81/221194081.db2.gz ZBVFRFSYNIIALP-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841267 221194083 /nfs/dbraw/zinc/19/40/83/221194083.db2.gz ZBVFRFSYNIIALP-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841267 221194084 /nfs/dbraw/zinc/19/40/84/221194084.db2.gz ZBVFRFSYNIIALP-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)c3ccccn3)c2cc1C ZINC000119357797 221302835 /nfs/dbraw/zinc/30/28/35/221302835.db2.gz WCBBWDPTZSMNPJ-IRXDYDNUSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)c3ccccn3)c2cc1C ZINC000119357797 221302838 /nfs/dbraw/zinc/30/28/38/221302838.db2.gz WCBBWDPTZSMNPJ-IRXDYDNUSA-N 2 2 338.455 3.102 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158904232 533336043 /nfs/dbraw/zinc/33/60/43/533336043.db2.gz NVOSYTMOKRKBNL-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158904232 533336051 /nfs/dbraw/zinc/33/60/51/533336051.db2.gz NVOSYTMOKRKBNL-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158904232 533336058 /nfs/dbraw/zinc/33/60/58/533336058.db2.gz NVOSYTMOKRKBNL-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158904232 533336065 /nfs/dbraw/zinc/33/60/65/533336065.db2.gz NVOSYTMOKRKBNL-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP c1c(CC[NH2+][C@H]2CSCCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152807849 285417291 /nfs/dbraw/zinc/41/72/91/285417291.db2.gz PFSQQKYMENUCIN-SFHVURJKSA-N 2 2 327.497 3.382 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000237641156 141012179 /nfs/dbraw/zinc/01/21/79/141012179.db2.gz VUQWQDOGGPUBMQ-UHFFFAOYSA-N 2 2 330.395 3.374 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246750794 141031249 /nfs/dbraw/zinc/03/12/49/141031249.db2.gz FVBKTFVNWANHJA-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246750794 141031250 /nfs/dbraw/zinc/03/12/50/141031250.db2.gz FVBKTFVNWANHJA-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000246750794 141031251 /nfs/dbraw/zinc/03/12/51/141031251.db2.gz FVBKTFVNWANHJA-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000246750794 141031252 /nfs/dbraw/zinc/03/12/52/141031252.db2.gz FVBKTFVNWANHJA-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246819907 141036422 /nfs/dbraw/zinc/03/64/22/141036422.db2.gz BCKDNNGGCHUNHW-WIYYLYMNSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246819907 141036424 /nfs/dbraw/zinc/03/64/24/141036424.db2.gz BCKDNNGGCHUNHW-WIYYLYMNSA-N 2 2 339.483 3.269 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2[nH+]c1C(C)(C)C ZINC000346270893 141189449 /nfs/dbraw/zinc/18/94/49/141189449.db2.gz MDZMAFZIEUCZRS-CHWSQXEVSA-N 2 2 328.460 3.327 20 0 EGADLP CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000346285330 141191202 /nfs/dbraw/zinc/19/12/02/141191202.db2.gz BKAYPHSSTBMJCT-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352967080 141279132 /nfs/dbraw/zinc/27/91/32/141279132.db2.gz KSVRLHOIGDXVRB-JRPNMDOOSA-N 2 2 344.425 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352967080 141279135 /nfs/dbraw/zinc/27/91/35/141279135.db2.gz KSVRLHOIGDXVRB-JRPNMDOOSA-N 2 2 344.425 3.196 20 0 EGADLP Fc1ccc2c(NCc3ccc(N4CCOCC4)[nH+]c3)cc[nH+]c2c1 ZINC000354638213 141318629 /nfs/dbraw/zinc/31/86/29/141318629.db2.gz AXTZJGAUDYSORZ-UHFFFAOYSA-N 2 2 338.386 3.218 20 0 EGADLP CCc1cccnc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000356839510 141351997 /nfs/dbraw/zinc/35/19/97/141351997.db2.gz DUUGGLDZVBRSSH-QAPCUYQASA-N 2 2 339.487 3.352 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592614 141381215 /nfs/dbraw/zinc/38/12/15/141381215.db2.gz NZZLYGDFALFPOE-QUCCMNQESA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592614 141381217 /nfs/dbraw/zinc/38/12/17/141381217.db2.gz NZZLYGDFALFPOE-QUCCMNQESA-N 3 2 344.547 3.146 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)c1 ZINC000171613267 144007335 /nfs/dbraw/zinc/00/73/35/144007335.db2.gz UPPKGVNCROISBW-ZDUSSCGKSA-N 2 2 333.382 3.252 20 0 EGADLP COc1cc(OC)c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000178414422 144070922 /nfs/dbraw/zinc/07/09/22/144070922.db2.gz JVJMDBSKTWMPJQ-CYBMUJFWSA-N 2 2 326.868 3.494 20 0 EGADLP C[NH2+]CCCC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000178721438 144075805 /nfs/dbraw/zinc/07/58/05/144075805.db2.gz ZSQIJOJHDZLJAT-UHFFFAOYSA-N 2 2 340.402 3.231 20 0 EGADLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000186811033 144144429 /nfs/dbraw/zinc/14/44/29/144144429.db2.gz PTTAUVSTXXEKMN-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000186811033 144144431 /nfs/dbraw/zinc/14/44/31/144144431.db2.gz PTTAUVSTXXEKMN-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344621580 144200591 /nfs/dbraw/zinc/20/05/91/144200591.db2.gz GHEBXGMYPWVGOF-DYVFJYSZSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344621580 144200592 /nfs/dbraw/zinc/20/05/92/144200592.db2.gz GHEBXGMYPWVGOF-DYVFJYSZSA-N 2 2 332.879 3.406 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351475477 144266515 /nfs/dbraw/zinc/26/65/15/144266515.db2.gz IIVJPMCNQFXECN-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351475477 144266516 /nfs/dbraw/zinc/26/65/16/144266516.db2.gz IIVJPMCNQFXECN-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351475477 144266518 /nfs/dbraw/zinc/26/65/18/144266518.db2.gz IIVJPMCNQFXECN-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351475477 144266519 /nfs/dbraw/zinc/26/65/19/144266519.db2.gz IIVJPMCNQFXECN-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP FC(F)(F)c1cnc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000351568272 144280948 /nfs/dbraw/zinc/28/09/48/144280948.db2.gz MUEKXVOVPAIEGH-UHFFFAOYSA-N 2 2 339.346 3.414 20 0 EGADLP c1cn(Cc2ccc(NCc3cccc(-c4ccncc4)c3)[nH+]c2)c[nH+]1 ZINC000351566956 144281010 /nfs/dbraw/zinc/28/10/10/144281010.db2.gz FLXNTJMDPKWCPK-UHFFFAOYSA-N 2 2 341.418 3.422 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855945 144316948 /nfs/dbraw/zinc/31/69/48/144316948.db2.gz UMDRQXXEPOQCRQ-STQMWFEESA-N 2 2 335.448 3.030 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855945 144316949 /nfs/dbraw/zinc/31/69/49/144316949.db2.gz UMDRQXXEPOQCRQ-STQMWFEESA-N 2 2 335.448 3.030 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000351930448 144320941 /nfs/dbraw/zinc/32/09/41/144320941.db2.gz GWSKKHZHNDJOEG-UHFFFAOYSA-N 2 2 330.476 3.427 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1cccc(F)c1 ZINC000361698898 144350708 /nfs/dbraw/zinc/35/07/08/144350708.db2.gz LVKNOKIUMQYGPW-INIZCTEOSA-N 2 2 343.446 3.242 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000363991311 144382715 /nfs/dbraw/zinc/38/27/15/144382715.db2.gz UTMIKDFKDSUSAF-RYGJVYDSSA-N 2 2 336.483 3.067 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000363991311 144382717 /nfs/dbraw/zinc/38/27/17/144382717.db2.gz UTMIKDFKDSUSAF-RYGJVYDSSA-N 2 2 336.483 3.067 20 0 EGADLP COC1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448701 292152098 /nfs/dbraw/zinc/15/20/98/292152098.db2.gz YPKMCIZQCZGDOZ-VBRUCIBASA-N 2 2 326.843 3.239 20 0 EGADLP COC1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448701 292152100 /nfs/dbraw/zinc/15/21/00/292152100.db2.gz YPKMCIZQCZGDOZ-VBRUCIBASA-N 2 2 326.843 3.239 20 0 EGADLP Cc1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1Oc1cc[nH+]cc1 ZINC000115368049 152007512 /nfs/dbraw/zinc/00/75/12/152007512.db2.gz DYZFAHOIAPLSCY-UHFFFAOYSA-N 2 2 339.439 3.350 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)C[N@@H+]1C1CC1 ZINC000119619541 152217944 /nfs/dbraw/zinc/21/79/44/152217944.db2.gz MNGARXQFZGQIEG-DOTOQJQBSA-N 2 2 325.456 3.219 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)C[N@H+]1C1CC1 ZINC000119619541 152217947 /nfs/dbraw/zinc/21/79/47/152217947.db2.gz MNGARXQFZGQIEG-DOTOQJQBSA-N 2 2 325.456 3.219 20 0 EGADLP Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000120917025 152309928 /nfs/dbraw/zinc/30/99/28/152309928.db2.gz LVOGVOCIJNIPSX-QGZVFWFLSA-N 2 2 348.450 3.261 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCOc4ccccc43)CC2)nc1 ZINC000341583989 155366540 /nfs/dbraw/zinc/36/65/40/155366540.db2.gz FCVSPEMELFBIHX-KRWDZBQOSA-N 2 2 337.467 3.202 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840040 153224118 /nfs/dbraw/zinc/22/41/18/153224118.db2.gz XNZZUNQBAKIHQK-QAPCUYQASA-N 2 2 345.512 3.393 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840040 153224123 /nfs/dbraw/zinc/22/41/23/153224123.db2.gz XNZZUNQBAKIHQK-QAPCUYQASA-N 2 2 345.512 3.393 20 0 EGADLP Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000192607580 153251095 /nfs/dbraw/zinc/25/10/95/153251095.db2.gz SUIGKKZXDXTWQI-AEFFLSMTSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000192607580 153251098 /nfs/dbraw/zinc/25/10/98/153251098.db2.gz SUIGKKZXDXTWQI-AEFFLSMTSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192607580 153251100 /nfs/dbraw/zinc/25/11/00/153251100.db2.gz SUIGKKZXDXTWQI-AEFFLSMTSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192607580 153251102 /nfs/dbraw/zinc/25/11/02/153251102.db2.gz SUIGKKZXDXTWQI-AEFFLSMTSA-N 2 2 340.471 3.006 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917343 153265997 /nfs/dbraw/zinc/26/59/97/153265997.db2.gz MHBAYGYCWDFPKM-MRXNPFEDSA-N 2 2 346.906 3.248 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192917343 153265999 /nfs/dbraw/zinc/26/59/99/153265999.db2.gz MHBAYGYCWDFPKM-MRXNPFEDSA-N 2 2 346.906 3.248 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cn1 ZINC000305829816 154133370 /nfs/dbraw/zinc/13/33/70/154133370.db2.gz NTRSOBSHGCXWGH-WDSOQIARSA-N 2 2 335.467 3.029 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cn1 ZINC000305829814 154133715 /nfs/dbraw/zinc/13/37/15/154133715.db2.gz NTRSOBSHGCXWGH-QXAKKESOSA-N 2 2 335.467 3.029 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000310141304 154137945 /nfs/dbraw/zinc/13/79/45/154137945.db2.gz CIAYWANSLVHPER-QFBILLFUSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000310141304 154137949 /nfs/dbraw/zinc/13/79/49/154137949.db2.gz CIAYWANSLVHPER-QFBILLFUSA-N 2 2 326.488 3.391 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000311059568 154145140 /nfs/dbraw/zinc/14/51/40/154145140.db2.gz WPFFZAYIJBJFDG-HXUWFJFHSA-N 2 2 341.503 3.035 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000311059568 154145143 /nfs/dbraw/zinc/14/51/43/154145143.db2.gz WPFFZAYIJBJFDG-HXUWFJFHSA-N 2 2 341.503 3.035 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000321678367 154168646 /nfs/dbraw/zinc/16/86/46/154168646.db2.gz TWUXLTWSTUFZKJ-CFVMTHIKSA-N 2 2 337.533 3.263 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000321678367 154168649 /nfs/dbraw/zinc/16/86/49/154168649.db2.gz TWUXLTWSTUFZKJ-CFVMTHIKSA-N 2 2 337.533 3.263 20 0 EGADLP c1cn2c(cccc2C[NH+]2CCC(N3CCc4ccccc43)CC2)[nH+]1 ZINC000337386626 154325988 /nfs/dbraw/zinc/32/59/88/154325988.db2.gz LKZMLCHUBPFMTG-UHFFFAOYSA-N 2 2 332.451 3.361 20 0 EGADLP FC(F)(F)c1ccc([C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971368 156222522 /nfs/dbraw/zinc/22/25/22/156222522.db2.gz HBMMBAUYYQIFCL-XJKSGUPXSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1ccc([C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971368 156222526 /nfs/dbraw/zinc/22/25/26/156222526.db2.gz HBMMBAUYYQIFCL-XJKSGUPXSA-N 2 2 328.378 3.078 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2c[nH+]c3c(C)cccn23)o1 ZINC000349077843 156344690 /nfs/dbraw/zinc/34/46/90/156344690.db2.gz QJBUJKORPYOPDY-UHFFFAOYSA-N 2 2 326.444 3.108 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000349144077 156366865 /nfs/dbraw/zinc/36/68/65/156366865.db2.gz CDEDKMFGWSPDOE-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000349144077 156366872 /nfs/dbraw/zinc/36/68/72/156366872.db2.gz CDEDKMFGWSPDOE-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000368585429 157228291 /nfs/dbraw/zinc/22/82/91/157228291.db2.gz QWDJBDOMPUGUAV-XOBRGWDASA-N 2 2 341.430 3.297 20 0 EGADLP CN(Cc1cc(Cl)ccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372736589 157373243 /nfs/dbraw/zinc/37/32/43/157373243.db2.gz HMMOOTWVPLDDAY-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1cc(Cl)ccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372736589 157373247 /nfs/dbraw/zinc/37/32/47/157373247.db2.gz HMMOOTWVPLDDAY-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372736589 157373251 /nfs/dbraw/zinc/37/32/51/157373251.db2.gz HMMOOTWVPLDDAY-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372736589 157373255 /nfs/dbraw/zinc/37/32/55/157373255.db2.gz HMMOOTWVPLDDAY-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)cn2)c[nH+]1 ZINC000372777899 157381452 /nfs/dbraw/zinc/38/14/52/157381452.db2.gz YNAWSTDGCJGKRQ-UHFFFAOYSA-N 2 2 334.423 3.346 20 0 EGADLP c1ccc(OCc2cccnc2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000078877127 161784234 /nfs/dbraw/zinc/78/42/34/161784234.db2.gz UUCPXYOPUVHFKX-UHFFFAOYSA-N 2 2 337.467 3.377 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000111243786 162149114 /nfs/dbraw/zinc/14/91/14/162149114.db2.gz AYFCPUZVVLGFED-KRWDZBQOSA-N 2 2 340.471 3.472 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000111243784 162149835 /nfs/dbraw/zinc/14/98/35/162149835.db2.gz AYFCPUZVVLGFED-QGZVFWFLSA-N 2 2 340.471 3.472 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)cs2)c1 ZINC000113513794 162213068 /nfs/dbraw/zinc/21/30/68/162213068.db2.gz KNZVZOYUOWGBMC-CQSZACIVSA-N 2 2 331.485 3.202 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)cs2)c1 ZINC000113513794 162213071 /nfs/dbraw/zinc/21/30/71/162213071.db2.gz KNZVZOYUOWGBMC-CQSZACIVSA-N 2 2 331.485 3.202 20 0 EGADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131114082 162390423 /nfs/dbraw/zinc/39/04/23/162390423.db2.gz SGATYHLWBRMARP-KRWDZBQOSA-N 2 2 328.456 3.285 20 0 EGADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131114082 162390428 /nfs/dbraw/zinc/39/04/28/162390428.db2.gz SGATYHLWBRMARP-KRWDZBQOSA-N 2 2 328.456 3.285 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)sc2c1 ZINC000248559521 163015177 /nfs/dbraw/zinc/01/51/77/163015177.db2.gz MEHWOHKNIWCTMN-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)sc2c1 ZINC000248559521 163015179 /nfs/dbraw/zinc/01/51/79/163015179.db2.gz MEHWOHKNIWCTMN-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)sc2c1 ZINC000248559521 163015183 /nfs/dbraw/zinc/01/51/83/163015183.db2.gz MEHWOHKNIWCTMN-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)sc2c1 ZINC000248559521 163015186 /nfs/dbraw/zinc/01/51/86/163015186.db2.gz MEHWOHKNIWCTMN-CZUORRHYSA-N 2 2 331.485 3.221 20 0 EGADLP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000249092934 163055353 /nfs/dbraw/zinc/05/53/53/163055353.db2.gz OGJCWGQFJNCAMK-OYGLOCFBSA-N 2 2 331.504 3.087 20 0 EGADLP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000249092934 163055357 /nfs/dbraw/zinc/05/53/57/163055357.db2.gz OGJCWGQFJNCAMK-OYGLOCFBSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000338793768 163350686 /nfs/dbraw/zinc/35/06/86/163350686.db2.gz NXCJZNHLGCQMBZ-IZZQQSIFSA-N 2 2 331.504 3.229 20 0 EGADLP CN(CCC[N@H+](C)Cc1ccco1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000343756113 164028122 /nfs/dbraw/zinc/02/81/22/164028122.db2.gz ALHGZQVMCYTHLN-UHFFFAOYSA-N 2 2 343.475 3.018 20 0 EGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1cc(N2CCCCC2)nc[nH+]1 ZINC000343756113 164028124 /nfs/dbraw/zinc/02/81/24/164028124.db2.gz ALHGZQVMCYTHLN-UHFFFAOYSA-N 2 2 343.475 3.018 20 0 EGADLP CN(CCC[N@H+](C)Cc1ccco1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000343756113 164028126 /nfs/dbraw/zinc/02/81/26/164028126.db2.gz ALHGZQVMCYTHLN-UHFFFAOYSA-N 2 2 343.475 3.018 20 0 EGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000343756113 164028128 /nfs/dbraw/zinc/02/81/28/164028128.db2.gz ALHGZQVMCYTHLN-UHFFFAOYSA-N 2 2 343.475 3.018 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107087 164103967 /nfs/dbraw/zinc/10/39/67/164103967.db2.gz RFIPAQYPNSKVMI-ROUUACIJSA-N 2 2 349.494 3.232 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107087 164103969 /nfs/dbraw/zinc/10/39/69/164103969.db2.gz RFIPAQYPNSKVMI-ROUUACIJSA-N 2 2 349.494 3.232 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cs1 ZINC000344208448 164127320 /nfs/dbraw/zinc/12/73/20/164127320.db2.gz HFZVUJWWUMNVRN-OAHLLOKOSA-N 2 2 337.533 3.385 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3c1OCCCO3)CCC2 ZINC000344532883 164187905 /nfs/dbraw/zinc/18/79/05/164187905.db2.gz GOWNUTPZHTYVCP-INIZCTEOSA-N 2 2 327.428 3.020 20 0 EGADLP COC1CCC([N@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000346169089 164355505 /nfs/dbraw/zinc/35/55/05/164355505.db2.gz DPAFNLMZQZZBFG-UHFFFAOYSA-N 2 2 337.533 3.299 20 0 EGADLP COC1CCC([N@@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000346169089 164355507 /nfs/dbraw/zinc/35/55/07/164355507.db2.gz DPAFNLMZQZZBFG-UHFFFAOYSA-N 2 2 337.533 3.299 20 0 EGADLP COC1CCC([NH+](C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000346169089 164355508 /nfs/dbraw/zinc/35/55/08/164355508.db2.gz DPAFNLMZQZZBFG-UHFFFAOYSA-N 2 2 337.533 3.299 20 0 EGADLP COC1CCC([NH+](C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000346169089 164355510 /nfs/dbraw/zinc/35/55/10/164355510.db2.gz DPAFNLMZQZZBFG-UHFFFAOYSA-N 2 2 337.533 3.299 20 0 EGADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1cccc2ccccc21 ZINC000346485157 164384663 /nfs/dbraw/zinc/38/46/63/164384663.db2.gz FGVDTYGHRORUNE-SFHVURJKSA-N 2 2 347.418 3.327 20 0 EGADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1cccc2ccccc21 ZINC000346485157 164384664 /nfs/dbraw/zinc/38/46/64/164384664.db2.gz FGVDTYGHRORUNE-SFHVURJKSA-N 2 2 347.418 3.327 20 0 EGADLP Cc1ccccc1[C@H](C[NH+]1CCOCC1)NCC[NH+](C(C)C)C(C)C ZINC000346502128 164387677 /nfs/dbraw/zinc/38/76/77/164387677.db2.gz VRSLFKMZFJCRDY-NRFANRHFSA-N 2 2 347.547 3.077 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351894642 165140735 /nfs/dbraw/zinc/14/07/35/165140735.db2.gz YQQMHIQFEHIKAD-CQSZACIVSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351894642 165140739 /nfs/dbraw/zinc/14/07/39/165140739.db2.gz YQQMHIQFEHIKAD-CQSZACIVSA-N 2 2 346.814 3.175 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000351936735 165156577 /nfs/dbraw/zinc/15/65/77/165156577.db2.gz NPWHRTAAPCEISH-OAHLLOKOSA-N 2 2 328.416 3.250 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351984349 165177636 /nfs/dbraw/zinc/17/76/36/165177636.db2.gz XDXHULNJLDSMJD-CJNGLKHVSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351984349 165177638 /nfs/dbraw/zinc/17/76/38/165177638.db2.gz XDXHULNJLDSMJD-CJNGLKHVSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351984349 165177640 /nfs/dbraw/zinc/17/76/40/165177640.db2.gz XDXHULNJLDSMJD-CJNGLKHVSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351984349 165177643 /nfs/dbraw/zinc/17/76/43/165177643.db2.gz XDXHULNJLDSMJD-CJNGLKHVSA-N 2 2 344.421 3.023 20 0 EGADLP Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024243 165197288 /nfs/dbraw/zinc/19/72/88/165197288.db2.gz FESFZNWMNKJFHT-CVEARBPZSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024243 165197291 /nfs/dbraw/zinc/19/72/91/165197291.db2.gz FESFZNWMNKJFHT-CVEARBPZSA-N 2 2 339.439 3.347 20 0 EGADLP CCN(CC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(C)c1 ZINC000352256783 165312989 /nfs/dbraw/zinc/31/29/89/165312989.db2.gz LZHBTRRRTDPXKS-UHFFFAOYSA-N 2 2 332.517 3.129 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352297942 165330256 /nfs/dbraw/zinc/33/02/56/165330256.db2.gz QZMJIJKPWHOHLN-JZXOWHBKSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352297942 165330260 /nfs/dbraw/zinc/33/02/60/165330260.db2.gz QZMJIJKPWHOHLN-JZXOWHBKSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)n2c1 ZINC000352296506 165331812 /nfs/dbraw/zinc/33/18/12/165331812.db2.gz FGHWEFJYUNVCTN-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)n2c1 ZINC000352296506 165331815 /nfs/dbraw/zinc/33/18/15/165331815.db2.gz FGHWEFJYUNVCTN-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccc(CN2CC[C@H]([NH2+]CCCc3ccc(C)[nH+]c3)C2=O)cc1 ZINC000355138050 166115968 /nfs/dbraw/zinc/11/59/68/166115968.db2.gz RCPYHBUIGAVHEA-FQEVSTJZSA-N 2 2 337.467 3.022 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000355425469 166195761 /nfs/dbraw/zinc/19/57/61/166195761.db2.gz UAPNZCXEHDAWSJ-SFHVURJKSA-N 2 2 334.423 3.246 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000355425469 166195763 /nfs/dbraw/zinc/19/57/63/166195763.db2.gz UAPNZCXEHDAWSJ-SFHVURJKSA-N 2 2 334.423 3.246 20 0 EGADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000355509433 166226583 /nfs/dbraw/zinc/22/65/83/166226583.db2.gz PJYKWVGVQWQJPT-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000355509433 166226584 /nfs/dbraw/zinc/22/65/84/166226584.db2.gz PJYKWVGVQWQJPT-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](CO)CCC(C)(C)C)sc2C1 ZINC000355681538 166282970 /nfs/dbraw/zinc/28/29/70/166282970.db2.gz NCTJUWIHGQPLAD-CQSZACIVSA-N 2 2 339.549 3.186 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](CO)CCC(C)(C)C)sc2C1 ZINC000355681538 166282973 /nfs/dbraw/zinc/28/29/73/166282973.db2.gz NCTJUWIHGQPLAD-CQSZACIVSA-N 2 2 339.549 3.186 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000359384175 167141933 /nfs/dbraw/zinc/14/19/33/167141933.db2.gz VFNBBIAEQUKOKD-HNNXBMFYSA-N 2 2 329.492 3.123 20 0 EGADLP CC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000359590648 167202462 /nfs/dbraw/zinc/20/24/62/167202462.db2.gz IXHJIUZPEBWMOK-YZGWKJHDSA-N 2 2 332.488 3.237 20 0 EGADLP c1ccc(OCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000359804000 167236300 /nfs/dbraw/zinc/23/63/00/167236300.db2.gz RZQBCCBBOLGUEO-UHFFFAOYSA-N 2 2 325.456 3.105 20 0 EGADLP O=C(CCn1cc[nH+]c1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000360253491 167283299 /nfs/dbraw/zinc/28/32/99/167283299.db2.gz HTOPFEVIMNIWGS-UHFFFAOYSA-N 2 2 335.411 3.112 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c2ccccc2C1 ZINC000365800927 168045118 /nfs/dbraw/zinc/04/51/18/168045118.db2.gz ZOCWGDUNEDFAPY-CTNGQTDRSA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c2ccccc2C1 ZINC000365800927 168045121 /nfs/dbraw/zinc/04/51/21/168045121.db2.gz ZOCWGDUNEDFAPY-CTNGQTDRSA-N 2 2 341.499 3.086 20 0 EGADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000367093977 168178779 /nfs/dbraw/zinc/17/87/79/168178779.db2.gz NMWDJNKNSNXEHK-SJORKVTESA-N 2 2 326.550 3.143 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000367133510 168183571 /nfs/dbraw/zinc/18/35/71/168183571.db2.gz NJSYXGRABMDFSS-ZDUSSCGKSA-N 2 2 347.846 3.240 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000367133510 168183574 /nfs/dbraw/zinc/18/35/74/168183574.db2.gz NJSYXGRABMDFSS-ZDUSSCGKSA-N 2 2 347.846 3.240 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c[nH+]1 ZINC000367303785 168204190 /nfs/dbraw/zinc/20/41/90/168204190.db2.gz XQVVUYYJFBYGBH-SFHVURJKSA-N 2 2 344.503 3.096 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000367361606 168214783 /nfs/dbraw/zinc/21/47/83/168214783.db2.gz QTHURSRZRDCKQL-NJDAHSKKSA-N 2 2 349.478 3.069 20 0 EGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000367386183 168218858 /nfs/dbraw/zinc/21/88/58/168218858.db2.gz PVRSGCNEPFOEMQ-CJNGLKHVSA-N 2 2 329.419 3.494 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc(-n3ccnn3)c1)CCC2 ZINC000367893967 168281611 /nfs/dbraw/zinc/28/16/11/168281611.db2.gz ANSNXSQLYKCJIY-RDJZCZTQSA-N 2 2 336.443 3.000 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000368032423 168300782 /nfs/dbraw/zinc/30/07/82/168300782.db2.gz ZDTKTFYYQQLSQD-UHFFFAOYSA-N 2 2 343.496 3.279 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000177217477 265241133 /nfs/dbraw/zinc/24/11/33/265241133.db2.gz WKPIALQAPLMQSM-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000177217477 265241138 /nfs/dbraw/zinc/24/11/38/265241138.db2.gz WKPIALQAPLMQSM-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507244 265322448 /nfs/dbraw/zinc/32/24/48/265322448.db2.gz TVZVBVYIBJAWPN-JRPNMDOOSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507244 265322450 /nfs/dbraw/zinc/32/24/50/265322450.db2.gz TVZVBVYIBJAWPN-JRPNMDOOSA-N 2 2 329.257 3.407 20 0 EGADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180173409 265398421 /nfs/dbraw/zinc/39/84/21/265398421.db2.gz GVIYIKWSIWRJCE-UHFFFAOYSA-N 2 2 344.459 3.166 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194539100 266126413 /nfs/dbraw/zinc/12/64/13/266126413.db2.gz XMZFHBWCUOQNSC-IYBDPMFKSA-N 2 2 344.890 3.136 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194539100 266126417 /nfs/dbraw/zinc/12/64/17/266126417.db2.gz XMZFHBWCUOQNSC-IYBDPMFKSA-N 2 2 344.890 3.136 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194539100 266126421 /nfs/dbraw/zinc/12/64/21/266126421.db2.gz XMZFHBWCUOQNSC-IYBDPMFKSA-N 2 2 344.890 3.136 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194539100 266126425 /nfs/dbraw/zinc/12/64/25/266126425.db2.gz XMZFHBWCUOQNSC-IYBDPMFKSA-N 2 2 344.890 3.136 20 0 EGADLP C[C@H]1CCC[C@@](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000194664550 266134619 /nfs/dbraw/zinc/13/46/19/266134619.db2.gz LQYXVLFJYSWMAU-OXJNMPFZSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000250137363 266263517 /nfs/dbraw/zinc/26/35/17/266263517.db2.gz YKSOCEZNYSWAHP-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000250137363 266263519 /nfs/dbraw/zinc/26/35/19/266263519.db2.gz YKSOCEZNYSWAHP-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP CC[NH+](CC)CCN(CCC(F)(F)F)c1[nH+]cnc2[nH]ccc21 ZINC000269997274 266397206 /nfs/dbraw/zinc/39/72/06/266397206.db2.gz WXRJPLNFXQVHES-UHFFFAOYSA-N 2 2 329.370 3.059 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274865297 267298783 /nfs/dbraw/zinc/29/87/83/267298783.db2.gz VLJOXSCDZPNHJC-DOADOZAASA-N 2 2 345.531 3.180 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274865297 267298786 /nfs/dbraw/zinc/29/87/86/267298786.db2.gz VLJOXSCDZPNHJC-DOADOZAASA-N 2 2 345.531 3.180 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1C(=O)OC(C)(C)C ZINC000278527088 268032390 /nfs/dbraw/zinc/03/23/90/268032390.db2.gz UFEQYOGZINHAEI-HUUCEWRRSA-N 2 2 344.459 3.212 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)C[C@H](C)O1 ZINC000119851915 274347937 /nfs/dbraw/zinc/34/79/37/274347937.db2.gz IDVRRBMOXYKQQJ-JKIFEVAISA-N 2 2 338.492 3.452 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)C[C@H](C)O1 ZINC000119851915 274347938 /nfs/dbraw/zinc/34/79/38/274347938.db2.gz IDVRRBMOXYKQQJ-JKIFEVAISA-N 2 2 338.492 3.452 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCC2 ZINC000095402074 274824031 /nfs/dbraw/zinc/82/40/31/274824031.db2.gz BYHYVYQZDIENBQ-CQSZACIVSA-N 2 2 347.846 3.283 20 0 EGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000095425795 275053615 /nfs/dbraw/zinc/05/36/15/275053615.db2.gz UWXGKVKZESKTJS-IAGOWNOFSA-N 2 2 343.298 3.461 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000109792436 275179328 /nfs/dbraw/zinc/17/93/28/275179328.db2.gz AHODZLVKFJJIAP-MRXNPFEDSA-N 2 2 348.491 3.167 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc[nH+]1 ZINC000172821995 275197460 /nfs/dbraw/zinc/19/74/60/275197460.db2.gz ACAQKOQGXGRIAL-UHFFFAOYSA-N 2 2 336.361 3.126 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000278709384 275267607 /nfs/dbraw/zinc/26/76/07/275267607.db2.gz UHHMCSHJNMRKDM-IRXDYDNUSA-N 2 2 345.487 3.023 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2n1 ZINC000278767783 275273111 /nfs/dbraw/zinc/27/31/11/275273111.db2.gz XRZBZZLMMKGKLN-IAGOWNOFSA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2n1 ZINC000278767783 275273113 /nfs/dbraw/zinc/27/31/13/275273113.db2.gz XRZBZZLMMKGKLN-IAGOWNOFSA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H](c1ccccn1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784176 275274531 /nfs/dbraw/zinc/27/45/31/275274531.db2.gz ZQUUDRXXJNWYNT-ICSRJNTNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784176 275274532 /nfs/dbraw/zinc/27/45/32/275274532.db2.gz ZQUUDRXXJNWYNT-ICSRJNTNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccccn1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278784176 275274533 /nfs/dbraw/zinc/27/45/33/275274533.db2.gz ZQUUDRXXJNWYNT-ICSRJNTNSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccccn1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278784176 275274534 /nfs/dbraw/zinc/27/45/34/275274534.db2.gz ZQUUDRXXJNWYNT-ICSRJNTNSA-N 2 2 339.483 3.366 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000278889977 275284802 /nfs/dbraw/zinc/28/48/02/275284802.db2.gz YMQDQRLAOFRUTR-SOUVJXGZSA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000278889977 275284803 /nfs/dbraw/zinc/28/48/03/275284803.db2.gz YMQDQRLAOFRUTR-SOUVJXGZSA-N 2 2 334.460 3.370 20 0 EGADLP CCn1nccc1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000278919176 275287522 /nfs/dbraw/zinc/28/75/22/275287522.db2.gz RHIJJGNSWPTCHZ-UHFFFAOYSA-N 2 2 335.455 3.468 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCSC3)c[nH+]c12 ZINC000279865643 275367508 /nfs/dbraw/zinc/36/75/08/275367508.db2.gz FDSMTRGXLDNCOG-NSHDSACASA-N 2 2 340.290 3.248 20 0 EGADLP CC(C)n1nccc1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000280003554 275389401 /nfs/dbraw/zinc/38/94/01/275389401.db2.gz RZJIQSKJFQMBAR-UHFFFAOYSA-N 2 2 326.488 3.391 20 0 EGADLP CC(C)n1nccc1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000280003554 275389402 /nfs/dbraw/zinc/38/94/02/275389402.db2.gz RZJIQSKJFQMBAR-UHFFFAOYSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000286429022 275998923 /nfs/dbraw/zinc/99/89/23/275998923.db2.gz RPZXRVXGQCYJBJ-DZGCQCFKSA-N 2 2 331.847 3.188 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000286842748 276049241 /nfs/dbraw/zinc/04/92/41/276049241.db2.gz FERLPYXMVPQZDB-CZUORRHYSA-N 2 2 341.377 3.434 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1nncn1C ZINC000287203483 276096240 /nfs/dbraw/zinc/09/62/40/276096240.db2.gz LYMZCXLOFJASHU-INIZCTEOSA-N 2 2 327.476 3.042 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1nncn1C ZINC000287372077 276113117 /nfs/dbraw/zinc/11/31/17/276113117.db2.gz ZFBGUSIGLNCCND-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1nncn1C ZINC000287372077 276113118 /nfs/dbraw/zinc/11/31/18/276113118.db2.gz ZFBGUSIGLNCCND-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287429490 276119228 /nfs/dbraw/zinc/11/92/28/276119228.db2.gz GMLFGFNOLYGUJY-YJBOKZPZSA-N 2 2 338.455 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000287429490 276119230 /nfs/dbraw/zinc/11/92/30/276119230.db2.gz GMLFGFNOLYGUJY-YJBOKZPZSA-N 2 2 338.455 3.340 20 0 EGADLP Cn1c(CCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)[nH+]c2ccccc21 ZINC000287731716 276151612 /nfs/dbraw/zinc/15/16/12/276151612.db2.gz PETIDCPOVDIQQH-DOMZBBRYSA-N 2 2 341.377 3.205 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000288970316 276273027 /nfs/dbraw/zinc/27/30/27/276273027.db2.gz BRCXKAKSCRUBQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000288970316 276273028 /nfs/dbraw/zinc/27/30/28/276273028.db2.gz BRCXKAKSCRUBQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000288970316 276273029 /nfs/dbraw/zinc/27/30/29/276273029.db2.gz BRCXKAKSCRUBQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000288970316 276273030 /nfs/dbraw/zinc/27/30/30/276273030.db2.gz BRCXKAKSCRUBQU-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289463937 276343207 /nfs/dbraw/zinc/34/32/07/276343207.db2.gz IIOUNESBZOCIRB-DYVFJYSZSA-N 2 2 336.842 3.293 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289463937 276343209 /nfs/dbraw/zinc/34/32/09/276343209.db2.gz IIOUNESBZOCIRB-DYVFJYSZSA-N 2 2 336.842 3.293 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000289476053 276344785 /nfs/dbraw/zinc/34/47/85/276344785.db2.gz DXECBFNKDJSGJG-OAHLLOKOSA-N 2 2 343.475 3.329 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000289476053 276344786 /nfs/dbraw/zinc/34/47/86/276344786.db2.gz DXECBFNKDJSGJG-OAHLLOKOSA-N 2 2 343.475 3.329 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1O ZINC000289585719 276362118 /nfs/dbraw/zinc/36/21/18/276362118.db2.gz FBAUHZUKBBBBIQ-ZDUSSCGKSA-N 2 2 325.412 3.410 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000289768378 276390789 /nfs/dbraw/zinc/39/07/89/276390789.db2.gz PDDFJODVAYROSI-VXGBXAGGSA-N 2 2 340.240 3.394 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353514232 278353208 /nfs/dbraw/zinc/35/32/08/278353208.db2.gz BUEQTPPNYQIAQA-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000353514232 278353211 /nfs/dbraw/zinc/35/32/11/278353211.db2.gz BUEQTPPNYQIAQA-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000171977405 279232789 /nfs/dbraw/zinc/23/27/89/279232789.db2.gz ZTUONNUULBARDK-HNNXBMFYSA-N 2 2 328.460 3.461 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000367088908 279436714 /nfs/dbraw/zinc/43/67/14/279436714.db2.gz YMMSJHDDICTOQC-OAHLLOKOSA-N 2 2 334.426 3.342 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361356047 290275678 /nfs/dbraw/zinc/27/56/78/290275678.db2.gz OXRWDDWBTUVIFU-TWMKSMIVSA-N 2 2 349.544 3.215 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361356047 290275680 /nfs/dbraw/zinc/27/56/80/290275680.db2.gz OXRWDDWBTUVIFU-TWMKSMIVSA-N 2 2 349.544 3.215 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@@H](C)C1 ZINC000344825109 300524855 /nfs/dbraw/zinc/52/48/55/300524855.db2.gz JPENIEVAYIRNNM-JEWUNAPFSA-N 2 2 344.503 3.029 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157693791 301799832 /nfs/dbraw/zinc/79/98/32/301799832.db2.gz QBODZYOQQFVMSX-QUCCMNQESA-N 2 2 326.488 3.397 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(F)cc1Br)C[NH+]1CCCC1 ZINC000062072158 307353443 /nfs/dbraw/zinc/35/34/43/307353443.db2.gz LQQDYEHDSGLJOJ-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCCNC(=O)C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000078655808 307420340 /nfs/dbraw/zinc/42/03/40/307420340.db2.gz DSQXQKNNTJGEPY-UHFFFAOYSA-N 2 2 340.471 3.191 20 0 EGADLP C[NH+](C)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000125489137 307556647 /nfs/dbraw/zinc/55/66/47/307556647.db2.gz BWAAUNICUYTSJW-WOJBJXKFSA-N 2 2 334.467 3.262 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414141640 309063106 /nfs/dbraw/zinc/06/31/06/309063106.db2.gz RGPJBMRBKMJDNC-ZWOKBUDYSA-N 2 2 339.483 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000414141640 309063107 /nfs/dbraw/zinc/06/31/07/309063107.db2.gz RGPJBMRBKMJDNC-ZWOKBUDYSA-N 2 2 339.483 3.131 20 0 EGADLP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414355742 309074720 /nfs/dbraw/zinc/07/47/20/309074720.db2.gz APGIERLPEQWJRH-MLGOLLRUSA-N 2 2 336.867 3.005 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000248495451 308004499 /nfs/dbraw/zinc/00/44/99/308004499.db2.gz QFUGTYDGIAKUMH-HKUYNNGSSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000248495451 308004501 /nfs/dbraw/zinc/00/45/01/308004501.db2.gz QFUGTYDGIAKUMH-HKUYNNGSSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C2CCCCC2)n1 ZINC000248495451 308004502 /nfs/dbraw/zinc/00/45/02/308004502.db2.gz QFUGTYDGIAKUMH-HKUYNNGSSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C2CCCCC2)n1 ZINC000248495451 308004504 /nfs/dbraw/zinc/00/45/04/308004504.db2.gz QFUGTYDGIAKUMH-HKUYNNGSSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575695 308006179 /nfs/dbraw/zinc/00/61/79/308006179.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575695 308006180 /nfs/dbraw/zinc/00/61/80/308006180.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000248575695 308006181 /nfs/dbraw/zinc/00/61/81/308006181.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000248575695 308006182 /nfs/dbraw/zinc/00/61/82/308006182.db2.gz SYQWOZWHGTYIPU-DEPWHIHDSA-N 3 2 329.532 3.215 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416194 309078835 /nfs/dbraw/zinc/07/88/35/309078835.db2.gz WEARJEJFMJXUPX-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416194 309078836 /nfs/dbraw/zinc/07/88/36/309078836.db2.gz WEARJEJFMJXUPX-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000414416194 309078837 /nfs/dbraw/zinc/07/88/37/309078837.db2.gz WEARJEJFMJXUPX-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nn1 ZINC000414416194 309078838 /nfs/dbraw/zinc/07/88/38/309078838.db2.gz WEARJEJFMJXUPX-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874152 308075236 /nfs/dbraw/zinc/07/52/36/308075236.db2.gz DMFOBLTUIPYPMF-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874152 308075237 /nfs/dbraw/zinc/07/52/37/308075237.db2.gz DMFOBLTUIPYPMF-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292874152 308075238 /nfs/dbraw/zinc/07/52/38/308075238.db2.gz DMFOBLTUIPYPMF-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874152 308075239 /nfs/dbraw/zinc/07/52/39/308075239.db2.gz DMFOBLTUIPYPMF-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414394917 309077489 /nfs/dbraw/zinc/07/74/89/309077489.db2.gz JCPRCGYOTNHKNW-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414394917 309077490 /nfs/dbraw/zinc/07/74/90/309077490.db2.gz JCPRCGYOTNHKNW-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293013873 308090056 /nfs/dbraw/zinc/09/00/56/308090056.db2.gz PYLQPWMCXAEOFT-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293013873 308090057 /nfs/dbraw/zinc/09/00/57/308090057.db2.gz PYLQPWMCXAEOFT-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293013873 308090058 /nfs/dbraw/zinc/09/00/58/308090058.db2.gz PYLQPWMCXAEOFT-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293013873 308090059 /nfs/dbraw/zinc/09/00/59/308090059.db2.gz PYLQPWMCXAEOFT-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP CC(C)c1nnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000293015976 308090275 /nfs/dbraw/zinc/09/02/75/308090275.db2.gz CDAHBWFYNJSRLM-HZPDHXFCSA-N 2 2 341.503 3.174 20 0 EGADLP CC(C)[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094977 308099153 /nfs/dbraw/zinc/09/91/53/308099153.db2.gz KRIAGOPFWLYKPO-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094977 308099154 /nfs/dbraw/zinc/09/91/54/308099154.db2.gz KRIAGOPFWLYKPO-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094977 308099155 /nfs/dbraw/zinc/09/91/55/308099155.db2.gz KRIAGOPFWLYKPO-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094977 308099156 /nfs/dbraw/zinc/09/91/56/308099156.db2.gz KRIAGOPFWLYKPO-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1F ZINC000294317765 308209938 /nfs/dbraw/zinc/20/99/38/308209938.db2.gz QVKYZCBMCYPGTH-MRXNPFEDSA-N 2 2 346.421 3.325 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1F ZINC000294317765 308209940 /nfs/dbraw/zinc/20/99/40/308209940.db2.gz QVKYZCBMCYPGTH-MRXNPFEDSA-N 2 2 346.421 3.325 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000294658812 308243035 /nfs/dbraw/zinc/24/30/35/308243035.db2.gz AEYLOEBLFBYQBS-CABCVRRESA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000294658812 308243036 /nfs/dbraw/zinc/24/30/36/308243036.db2.gz AEYLOEBLFBYQBS-CABCVRRESA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000294658812 308243038 /nfs/dbraw/zinc/24/30/38/308243038.db2.gz AEYLOEBLFBYQBS-CABCVRRESA-N 2 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000294658812 308243040 /nfs/dbraw/zinc/24/30/40/308243040.db2.gz AEYLOEBLFBYQBS-CABCVRRESA-N 2 2 330.863 3.242 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000294937321 308273709 /nfs/dbraw/zinc/27/37/09/308273709.db2.gz JKDDTNRMCCJHAM-HNNXBMFYSA-N 2 2 338.879 3.290 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000294937321 308273711 /nfs/dbraw/zinc/27/37/11/308273711.db2.gz JKDDTNRMCCJHAM-HNNXBMFYSA-N 2 2 338.879 3.290 20 0 EGADLP CC[C@H](C[NH2+]Cc1c[nH+]c2ccc(C)cn12)NC(=O)OC(C)(C)C ZINC000295085097 308289533 /nfs/dbraw/zinc/28/95/33/308289533.db2.gz QXCHRZKRZDCLHH-CQSZACIVSA-N 2 2 332.448 3.036 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108031 308292123 /nfs/dbraw/zinc/29/21/23/308292123.db2.gz UYQVOCIWXOQYNV-HNNXBMFYSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108031 308292125 /nfs/dbraw/zinc/29/21/25/308292125.db2.gz UYQVOCIWXOQYNV-HNNXBMFYSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108031 308292126 /nfs/dbraw/zinc/29/21/26/308292126.db2.gz UYQVOCIWXOQYNV-HNNXBMFYSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108031 308292128 /nfs/dbraw/zinc/29/21/28/308292128.db2.gz UYQVOCIWXOQYNV-HNNXBMFYSA-N 2 2 338.879 3.290 20 0 EGADLP Fc1ccc(Br)c2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000295281840 308310511 /nfs/dbraw/zinc/31/05/11/308310511.db2.gz DAUWRQXYJVJMNE-UHFFFAOYSA-N 2 2 338.224 3.233 20 0 EGADLP Fc1ccc(Br)c2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000295281840 308310513 /nfs/dbraw/zinc/31/05/13/308310513.db2.gz DAUWRQXYJVJMNE-UHFFFAOYSA-N 2 2 338.224 3.233 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000295939145 308376787 /nfs/dbraw/zinc/37/67/87/308376787.db2.gz KUEHIMVOCWYIQI-AEFFLSMTSA-N 2 2 342.487 3.399 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@@H]1CCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000296113970 308394999 /nfs/dbraw/zinc/39/49/99/308394999.db2.gz UZNJEXXHQCBFME-MSOLQXFVSA-N 2 2 328.460 3.009 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695459 309095772 /nfs/dbraw/zinc/09/57/72/309095772.db2.gz GMCAOLDBMWQMOX-PKOBYXMFSA-N 3 2 330.520 3.008 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695459 309095773 /nfs/dbraw/zinc/09/57/73/309095773.db2.gz GMCAOLDBMWQMOX-PKOBYXMFSA-N 3 2 330.520 3.008 20 0 EGADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c2)cc1 ZINC000414797300 309102037 /nfs/dbraw/zinc/10/20/37/309102037.db2.gz PCDMPYKNZRFWPJ-LJQANCHMSA-N 2 2 341.455 3.020 20 0 EGADLP CC(C)([NH3+])C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414808032 309102748 /nfs/dbraw/zinc/10/27/48/309102748.db2.gz RZSRFAXOEKBCOM-UHFFFAOYSA-N 2 2 340.290 3.400 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1nc(N)c2ccccc2[nH+]1)c1ccco1 ZINC000301883987 308719937 /nfs/dbraw/zinc/71/99/37/308719937.db2.gz NSPABAKOYUWHJV-HNNXBMFYSA-N 2 2 325.416 3.300 20 0 EGADLP CC[NH+]1CCN(c2cccc(Nc3nc(C)[nH+]c(C)c3C)c2)CC1 ZINC000302235450 308734619 /nfs/dbraw/zinc/73/46/19/308734619.db2.gz FHSHYWCUOQQHOC-UHFFFAOYSA-N 2 2 325.460 3.287 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000309946172 308763138 /nfs/dbraw/zinc/76/31/38/308763138.db2.gz GOGGEQHQKAXGFN-HOTGVXAUSA-N 2 2 336.480 3.089 20 0 EGADLP CCOc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1OC(F)F ZINC000414847524 309105288 /nfs/dbraw/zinc/10/52/88/309105288.db2.gz VCYMNAQGQBXECD-UHFFFAOYSA-N 2 2 328.403 3.438 20 0 EGADLP Cc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c2cccc(F)c2[nH+]1 ZINC000333692086 308865925 /nfs/dbraw/zinc/86/59/25/308865925.db2.gz PURXFNAOILFXJU-FXAWDEMLSA-N 2 2 343.446 3.405 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866439 309106345 /nfs/dbraw/zinc/10/63/45/309106345.db2.gz MWPDKKXCSCEDDL-KRWDZBQOSA-N 2 2 332.879 3.043 20 0 EGADLP COCC[NH2+]CC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000414867701 309106463 /nfs/dbraw/zinc/10/64/63/309106463.db2.gz CXMGHMURFZLNMV-UHFFFAOYSA-N 2 2 336.382 3.083 20 0 EGADLP C[C@@H]1CN(Cc2ccc(N3CCCC3)[nH+]c2)c2cc(F)ccc2C[NH2+]1 ZINC000414873279 309106503 /nfs/dbraw/zinc/10/65/03/309106503.db2.gz QQRQMHIEZBGLCB-OAHLLOKOSA-N 2 2 340.446 3.319 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414880243 309106994 /nfs/dbraw/zinc/10/69/94/309106994.db2.gz JWUZPPPGCTVPFO-LJQANCHMSA-N 2 2 332.451 3.299 20 0 EGADLP [NH3+][C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1 ZINC000414885079 309107294 /nfs/dbraw/zinc/10/72/94/309107294.db2.gz GBAANCVAXWLDJE-QGZVFWFLSA-N 2 2 331.847 3.141 20 0 EGADLP COc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000414893655 309107822 /nfs/dbraw/zinc/10/78/22/309107822.db2.gz YLIIISQTLQJGPM-CVEARBPZSA-N 2 2 332.469 3.001 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3CCC[NH2+][C@H]3C)cc2)cs1 ZINC000414936562 309110226 /nfs/dbraw/zinc/11/02/26/309110226.db2.gz CZJZFPPJTFJRDF-UGSOOPFHSA-N 2 2 331.485 3.261 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415064420 309117951 /nfs/dbraw/zinc/11/79/51/309117951.db2.gz KOFUYNRVUVIKQX-HNNXBMFYSA-N 2 2 327.266 3.065 20 0 EGADLP Cn1cc(-c2ccc(C[NH2+]C[C@H]3[NH2+]CCc4ccccc43)s2)cn1 ZINC000414953044 309111184 /nfs/dbraw/zinc/11/11/84/309111184.db2.gz JIMWPEPGORMGBV-GOSISDBHSA-N 2 2 338.480 3.125 20 0 EGADLP FC(F)COc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414964917 309111910 /nfs/dbraw/zinc/11/19/10/309111910.db2.gz YWXXVJAIUXUBLR-GOSISDBHSA-N 2 2 332.394 3.307 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000414971094 309112167 /nfs/dbraw/zinc/11/21/67/309112167.db2.gz VXEPDXLOJNQREM-ZDUSSCGKSA-N 2 2 335.904 3.062 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415040058 309115829 /nfs/dbraw/zinc/11/58/29/309115829.db2.gz JTIPAXKIMZUTOF-CZUORRHYSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415040058 309115830 /nfs/dbraw/zinc/11/58/30/309115830.db2.gz JTIPAXKIMZUTOF-CZUORRHYSA-N 2 2 332.879 3.191 20 0 EGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000415077801 309118748 /nfs/dbraw/zinc/11/87/48/309118748.db2.gz FMJNXADWMLGEKA-DOTOQJQBSA-N 3 2 330.451 3.412 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415081177 309118951 /nfs/dbraw/zinc/11/89/51/309118951.db2.gz KISROGLRRIEAAB-LPHOPBHVSA-N 2 2 334.504 3.290 20 0 EGADLP Cc1cc(NC(=O)NC2(C)CC[NH2+]CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000415452726 309133920 /nfs/dbraw/zinc/13/39/20/309133920.db2.gz KUGVPAKNUNXZQM-OAHLLOKOSA-N 2 2 345.491 3.032 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000415945274 309150591 /nfs/dbraw/zinc/15/05/91/309150591.db2.gz CLXDHHITQOMMGN-UHFFFAOYSA-N 2 2 341.459 3.066 20 0 EGADLP CCn1cncc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000418075573 309234317 /nfs/dbraw/zinc/23/43/17/309234317.db2.gz ZLTWWWPQNGXWGN-UHFFFAOYSA-N 2 2 343.862 3.455 20 0 EGADLP CCn1cncc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000418075573 309234318 /nfs/dbraw/zinc/23/43/18/309234318.db2.gz ZLTWWWPQNGXWGN-UHFFFAOYSA-N 2 2 343.862 3.455 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000419292984 309263414 /nfs/dbraw/zinc/26/34/14/309263414.db2.gz MZHMOUHVIJCFQJ-CYBMUJFWSA-N 2 2 335.879 3.274 20 0 EGADLP CC(C)c1nc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc(C(C)(C)C)[nH+]1 ZINC000420284617 309279324 /nfs/dbraw/zinc/27/93/24/309279324.db2.gz YPQOLTHFIAPGAO-HNNXBMFYSA-N 2 2 346.519 3.089 20 0 EGADLP CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000420305531 309280825 /nfs/dbraw/zinc/28/08/25/309280825.db2.gz GOYUBDSGZAEBPD-OAHLLOKOSA-N 2 2 332.423 3.148 20 0 EGADLP CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000420305531 309280826 /nfs/dbraw/zinc/28/08/26/309280826.db2.gz GOYUBDSGZAEBPD-OAHLLOKOSA-N 2 2 332.423 3.148 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1Br ZINC000420318585 309281875 /nfs/dbraw/zinc/28/18/75/309281875.db2.gz QKXNLUAPHAPBFT-CYBMUJFWSA-N 2 2 327.266 3.031 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1CCOc1ccccc1Br ZINC000420318585 309281876 /nfs/dbraw/zinc/28/18/76/309281876.db2.gz QKXNLUAPHAPBFT-CYBMUJFWSA-N 2 2 327.266 3.031 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420321920 309282124 /nfs/dbraw/zinc/28/21/24/309282124.db2.gz WCFDOBKYVRDQOM-AZUAARDMSA-N 2 2 341.430 3.176 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420321920 309282125 /nfs/dbraw/zinc/28/21/25/309282125.db2.gz WCFDOBKYVRDQOM-AZUAARDMSA-N 2 2 341.430 3.176 20 0 EGADLP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420344541 309283410 /nfs/dbraw/zinc/28/34/10/309283410.db2.gz UBSYCZBTDGBWNK-HIFRSBDPSA-N 2 2 328.378 3.158 20 0 EGADLP FC(F)(F)c1ccccc1OCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420344541 309283411 /nfs/dbraw/zinc/28/34/11/309283411.db2.gz UBSYCZBTDGBWNK-HIFRSBDPSA-N 2 2 328.378 3.158 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420355726 309283802 /nfs/dbraw/zinc/28/38/02/309283802.db2.gz FRFHASWTUWXUEN-ABAIWWIYSA-N 2 2 345.270 3.139 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420355726 309283803 /nfs/dbraw/zinc/28/38/03/309283803.db2.gz FRFHASWTUWXUEN-ABAIWWIYSA-N 2 2 345.270 3.139 20 0 EGADLP CCN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H](C)c1ccc(F)cc1 ZINC000420357944 309283852 /nfs/dbraw/zinc/28/38/52/309283852.db2.gz DYPBUBIFQQYQBU-KXBFYZLASA-N 2 2 349.494 3.232 20 0 EGADLP CCN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1cccc2ccccc21 ZINC000420363963 309284238 /nfs/dbraw/zinc/28/42/38/309284238.db2.gz OMNPIOAREZZOFH-SFHVURJKSA-N 2 2 327.472 3.156 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1Cl ZINC000420366438 309284479 /nfs/dbraw/zinc/28/44/79/309284479.db2.gz UOTFJVWQPAKIBT-DYVFJYSZSA-N 2 2 337.895 3.014 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccccc1C(F)(F)F ZINC000420397010 309286256 /nfs/dbraw/zinc/28/62/56/309286256.db2.gz FSKFHFGRLCCZBO-SECBINFHSA-N 2 2 328.338 3.133 20 0 EGADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)on1 ZINC000420901424 309299904 /nfs/dbraw/zinc/29/99/04/309299904.db2.gz KBLQBFVGLSTBIP-LJQANCHMSA-N 2 2 341.455 3.152 20 0 EGADLP Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)on1 ZINC000420901424 309299905 /nfs/dbraw/zinc/29/99/05/309299905.db2.gz KBLQBFVGLSTBIP-LJQANCHMSA-N 2 2 341.455 3.152 20 0 EGADLP FC(F)(F)C1=CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420931663 309302073 /nfs/dbraw/zinc/30/20/73/309302073.db2.gz GNKCOWMQRXUNRQ-UHFFFAOYSA-N 2 2 340.389 3.213 20 0 EGADLP FC(F)(F)C1=CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420931663 309302074 /nfs/dbraw/zinc/30/20/74/309302074.db2.gz GNKCOWMQRXUNRQ-UHFFFAOYSA-N 2 2 340.389 3.213 20 0 EGADLP Fc1ccc2c(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420956648 309304006 /nfs/dbraw/zinc/30/40/06/309304006.db2.gz ZQJCLXDUBSXFAJ-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1ccc2c(c1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420956648 309304007 /nfs/dbraw/zinc/30/40/07/309304007.db2.gz ZQJCLXDUBSXFAJ-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(F)c(C)c3)CC2)CC1 ZINC000421377793 309321617 /nfs/dbraw/zinc/32/16/17/309321617.db2.gz RZFCMLHCECFIKB-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(F)c(C)c3)CC2)CC1 ZINC000421377793 309321618 /nfs/dbraw/zinc/32/16/18/309321618.db2.gz RZFCMLHCECFIKB-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421826808 309341881 /nfs/dbraw/zinc/34/18/81/309341881.db2.gz UTZLXVCPHPULTA-IBGZPJMESA-N 2 2 338.467 3.232 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCCC(C)C)CC2)CC1 ZINC000422025915 309351691 /nfs/dbraw/zinc/35/16/91/309351691.db2.gz SVRNPKMOYNATAS-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCCC(C)C)CC2)CC1 ZINC000422025915 309351692 /nfs/dbraw/zinc/35/16/92/309351692.db2.gz SVRNPKMOYNATAS-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CC[C@@H](O)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000422082916 309354416 /nfs/dbraw/zinc/35/44/16/309354416.db2.gz GPIORWOKHNOLFU-GOSISDBHSA-N 2 2 339.439 3.082 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[NH2+]1 ZINC000422701556 309363891 /nfs/dbraw/zinc/36/38/91/309363891.db2.gz DGBNWJXLJZTNDT-IUODEOHRSA-N 2 2 338.377 3.121 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OCc2ccccn2)c1 ZINC000422721209 309364840 /nfs/dbraw/zinc/36/48/40/309364840.db2.gz NPYHGDWWVDPXNM-TWOQFEAHSA-N 2 2 325.456 3.452 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422750525 309366401 /nfs/dbraw/zinc/36/64/01/309366401.db2.gz DEFWIFIRFLDSHP-RCCFBDPRSA-N 3 2 326.488 3.245 20 0 EGADLP Cc1ccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)[nH+]c1 ZINC000422778756 309367956 /nfs/dbraw/zinc/36/79/56/309367956.db2.gz HTKXVROSEBGUTR-PKOBYXMFSA-N 3 2 330.520 3.259 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422808426 309369650 /nfs/dbraw/zinc/36/96/50/309369650.db2.gz LCZRXNSTFJSJBD-WOJBJXKFSA-N 2 2 337.467 3.403 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422820811 309370088 /nfs/dbraw/zinc/37/00/88/309370088.db2.gz SIONLQDYDQARHC-GHTZIAJQSA-N 3 2 348.494 3.022 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)s2)cc1 ZINC000422822458 309370373 /nfs/dbraw/zinc/37/03/73/309370373.db2.gz KCICYKVIJNDXBM-GOEBONIOSA-N 2 2 346.496 3.280 20 0 EGADLP COc1cccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000422826562 309370521 /nfs/dbraw/zinc/37/05/21/309370521.db2.gz QVWDHIBNOYGVRE-ZUOKHONESA-N 2 2 344.430 3.130 20 0 EGADLP C[C@H](NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422851945 309372148 /nfs/dbraw/zinc/37/21/48/309372148.db2.gz XNFUQYPKGMPTNF-RRQGHBQHSA-N 2 2 339.886 3.346 20 0 EGADLP CCOc1cccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000422870208 309372893 /nfs/dbraw/zinc/37/28/93/309372893.db2.gz BMWIAMQQZKSYLB-KGLIPLIRSA-N 2 2 328.403 3.307 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCC2)o1 ZINC000422876271 309373406 /nfs/dbraw/zinc/37/34/06/309373406.db2.gz FKCMVECOOIJNLG-SXLOBPIMSA-N 2 2 341.499 3.273 20 0 EGADLP C[C@@H](NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887466 309374314 /nfs/dbraw/zinc/37/43/14/309374314.db2.gz YTVFZFAWTNXVLH-DNVCBOLYSA-N 2 2 341.524 3.045 20 0 EGADLP C[C@@H](NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887466 309374315 /nfs/dbraw/zinc/37/43/15/309374315.db2.gz YTVFZFAWTNXVLH-DNVCBOLYSA-N 2 2 341.524 3.045 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422931703 309376706 /nfs/dbraw/zinc/37/67/06/309376706.db2.gz CNMGMBUFNWMKDI-GJZGRUSLSA-N 2 2 327.266 3.207 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423042542 309382659 /nfs/dbraw/zinc/38/26/59/309382659.db2.gz LDYGFDDTJIUCGL-PBFPGSCMSA-N 2 2 325.859 3.178 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423080455 309384792 /nfs/dbraw/zinc/38/47/92/309384792.db2.gz AGXHBHXZQPXERZ-HNAYVOBHSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085467 309385226 /nfs/dbraw/zinc/38/52/26/309385226.db2.gz KQKGCZYBHUOKOK-NDXORKPFSA-N 2 2 349.478 3.000 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423133706 309387666 /nfs/dbraw/zinc/38/76/66/309387666.db2.gz VXSVJJJAZHDMSU-ABSDTBQOSA-N 2 2 334.467 3.481 20 0 EGADLP C[NH2+]CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423197944 309390074 /nfs/dbraw/zinc/39/00/74/309390074.db2.gz CCFQJPIQXQTEEV-OAHLLOKOSA-N 2 2 341.224 3.470 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@H]1C ZINC000423234293 309391764 /nfs/dbraw/zinc/39/17/64/309391764.db2.gz FMWNAAXATWKUHI-FZDIXFNVSA-N 2 2 332.488 3.377 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423272227 309393666 /nfs/dbraw/zinc/39/36/66/309393666.db2.gz JQXVUXJBNDAGPA-ZIAGYGMSSA-N 2 2 327.266 3.236 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286319 309394131 /nfs/dbraw/zinc/39/41/31/309394131.db2.gz GNXOYXRECPGMBK-HSALFYBXSA-N 3 2 329.532 3.394 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286319 309394132 /nfs/dbraw/zinc/39/41/32/309394132.db2.gz GNXOYXRECPGMBK-HSALFYBXSA-N 3 2 329.532 3.394 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286320 309394206 /nfs/dbraw/zinc/39/42/06/309394206.db2.gz GNXOYXRECPGMBK-SLFFLAALSA-N 3 2 329.532 3.394 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423286320 309394207 /nfs/dbraw/zinc/39/42/07/309394207.db2.gz GNXOYXRECPGMBK-SLFFLAALSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000423295508 309394246 /nfs/dbraw/zinc/39/42/46/309394246.db2.gz DYBWSCRROFJGDX-CJNGLKHVSA-N 2 2 326.444 3.089 20 0 EGADLP Fc1ccccc1[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1 ZINC000423309420 309394742 /nfs/dbraw/zinc/39/47/42/309394742.db2.gz ZRLQXUQHSDSNSD-KRWDZBQOSA-N 2 2 349.247 3.487 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)C[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000423325631 309395261 /nfs/dbraw/zinc/39/52/61/309395261.db2.gz LTHXSMDLDMGFGC-ZJUUUORDSA-N 2 2 327.259 3.485 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccncc1 ZINC000423328571 309395640 /nfs/dbraw/zinc/39/56/40/309395640.db2.gz KWBLVGNKGCZLIN-HSALFYBXSA-N 2 2 325.456 3.277 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCc3occc32)cc1 ZINC000423342747 309396098 /nfs/dbraw/zinc/39/60/98/309396098.db2.gz VPCPOZCZRUGMHK-WDSOQIARSA-N 2 2 326.440 3.401 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340550 309396221 /nfs/dbraw/zinc/39/62/21/309396221.db2.gz XJTBBXAPYHNMQN-HSALFYBXSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423340550 309396222 /nfs/dbraw/zinc/39/62/22/309396222.db2.gz XJTBBXAPYHNMQN-HSALFYBXSA-N 3 2 327.516 3.148 20 0 EGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423378872 309397866 /nfs/dbraw/zinc/39/78/66/309397866.db2.gz WWPDFLLEALXJQX-HDMKZQKVSA-N 2 2 326.431 3.061 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384179 309398029 /nfs/dbraw/zinc/39/80/29/309398029.db2.gz JYIHJWCYIVGVRC-SXLOBPIMSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384179 309398030 /nfs/dbraw/zinc/39/80/30/309398030.db2.gz JYIHJWCYIVGVRC-SXLOBPIMSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423397237 309398588 /nfs/dbraw/zinc/39/85/88/309398588.db2.gz UMBPRCMOUJBZSX-KDOFPFPSSA-N 2 2 344.503 3.399 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423417918 309399552 /nfs/dbraw/zinc/39/95/52/309399552.db2.gz HLYUUGNHRJLWLY-IERDGZPVSA-N 2 2 340.467 3.249 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CCC[NH2+]1 ZINC000423420430 309399638 /nfs/dbraw/zinc/39/96/38/309399638.db2.gz WZDRNCLQZNGIPU-SMDDNHRTSA-N 2 2 347.322 3.238 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423464699 309401128 /nfs/dbraw/zinc/40/11/28/309401128.db2.gz GXTMUMKKSQFYFJ-UWWQBHOKSA-N 2 2 330.451 3.086 20 0 EGADLP Cc1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)ccc1Oc1cc[nH+]cc1 ZINC000423915387 309420162 /nfs/dbraw/zinc/42/01/62/309420162.db2.gz WJSZJCOEZOVOBM-OAHLLOKOSA-N 2 2 343.452 3.216 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000439078593 309825946 /nfs/dbraw/zinc/82/59/46/309825946.db2.gz MEOSHUSRRRLGQK-CQSZACIVSA-N 2 2 345.487 3.179 20 0 EGADLP COCC[N@H+](Cc1cncs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000448371664 310003293 /nfs/dbraw/zinc/00/32/93/310003293.db2.gz FELJTQSYSKGURH-UHFFFAOYSA-N 2 2 334.470 3.039 20 0 EGADLP COCC[N@@H+](Cc1cncs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000448371664 310003294 /nfs/dbraw/zinc/00/32/94/310003294.db2.gz FELJTQSYSKGURH-UHFFFAOYSA-N 2 2 334.470 3.039 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039238 310032114 /nfs/dbraw/zinc/03/21/14/310032114.db2.gz YQMNBCOHZZHIKJ-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039238 310032115 /nfs/dbraw/zinc/03/21/15/310032115.db2.gz YQMNBCOHZZHIKJ-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039238 310032116 /nfs/dbraw/zinc/03/21/16/310032116.db2.gz YQMNBCOHZZHIKJ-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039238 310032117 /nfs/dbraw/zinc/03/21/17/310032117.db2.gz YQMNBCOHZZHIKJ-QGZVFWFLSA-N 2 2 342.487 3.045 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCSC1 ZINC000449176307 310042318 /nfs/dbraw/zinc/04/23/18/310042318.db2.gz MIRBBTBCNBQXEB-VMWRSERWSA-N 2 2 326.550 3.284 20 0 EGADLP COc1nccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000449372946 310057160 /nfs/dbraw/zinc/05/71/60/310057160.db2.gz MNWDOSSTVLNUCD-UHFFFAOYSA-N 2 2 334.508 3.254 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000449385267 310057951 /nfs/dbraw/zinc/05/79/51/310057951.db2.gz FBOQDSVDLWDKGO-GUDVDZBRSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000449385267 310057952 /nfs/dbraw/zinc/05/79/52/310057952.db2.gz FBOQDSVDLWDKGO-GUDVDZBRSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000449388660 310058306 /nfs/dbraw/zinc/05/83/06/310058306.db2.gz PSTBSCGYBOZHIG-NRFANRHFSA-N 2 2 338.495 3.255 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000449388660 310058307 /nfs/dbraw/zinc/05/83/07/310058307.db2.gz PSTBSCGYBOZHIG-NRFANRHFSA-N 2 2 338.495 3.255 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)n1-c1ccccc1 ZINC000449514940 310068476 /nfs/dbraw/zinc/06/84/76/310068476.db2.gz ZCNJDTNCOVTEIP-WOJBJXKFSA-N 2 2 325.456 3.067 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000449521058 310068905 /nfs/dbraw/zinc/06/89/05/310068905.db2.gz HKWDPHKTXLQLJV-UHFFFAOYSA-N 2 2 343.496 3.461 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCSC[C@H]3C3CC3)sc2C1 ZINC000449526428 310069224 /nfs/dbraw/zinc/06/92/24/310069224.db2.gz DREJOXFDTIJOLV-HNNXBMFYSA-N 2 2 337.558 3.237 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCSC[C@H]3C3CC3)sc2C1 ZINC000449526428 310069225 /nfs/dbraw/zinc/06/92/25/310069225.db2.gz DREJOXFDTIJOLV-HNNXBMFYSA-N 2 2 337.558 3.237 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCSC[C@H]3C3CC3)sc2C1 ZINC000449526428 310069226 /nfs/dbraw/zinc/06/92/26/310069226.db2.gz DREJOXFDTIJOLV-HNNXBMFYSA-N 2 2 337.558 3.237 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCSC[C@H]3C3CC3)sc2C1 ZINC000449526428 310069227 /nfs/dbraw/zinc/06/92/27/310069227.db2.gz DREJOXFDTIJOLV-HNNXBMFYSA-N 2 2 337.558 3.237 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555478 310071512 /nfs/dbraw/zinc/07/15/12/310071512.db2.gz QJZMLKYAUHKXNU-HLIPFELVSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)n1-c1ccccc1 ZINC000449555478 310071513 /nfs/dbraw/zinc/07/15/13/310071513.db2.gz QJZMLKYAUHKXNU-HLIPFELVSA-N 2 2 325.456 3.164 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449561337 310072205 /nfs/dbraw/zinc/07/22/05/310072205.db2.gz BRBIKTFDXQIRRW-INIZCTEOSA-N 2 2 344.478 3.400 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000449653656 310077797 /nfs/dbraw/zinc/07/77/97/310077797.db2.gz COFNPBIQOSERSP-GUDVDZBRSA-N 2 2 342.487 3.306 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)c[nH+]1 ZINC000449656844 310078064 /nfs/dbraw/zinc/07/80/64/310078064.db2.gz MOTNYKITPLSILR-GUDVDZBRSA-N 2 2 342.487 3.306 20 0 EGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776555 310196712 /nfs/dbraw/zinc/19/67/12/310196712.db2.gz AOPWWNYMRDHHOY-WOJBJXKFSA-N 2 2 348.531 3.006 20 0 EGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776555 310196713 /nfs/dbraw/zinc/19/67/13/310196713.db2.gz AOPWWNYMRDHHOY-WOJBJXKFSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776555 310196714 /nfs/dbraw/zinc/19/67/14/310196714.db2.gz AOPWWNYMRDHHOY-WOJBJXKFSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](CO)CC(C)(C)C ZINC000451776555 310196715 /nfs/dbraw/zinc/19/67/15/310196715.db2.gz AOPWWNYMRDHHOY-WOJBJXKFSA-N 2 2 348.531 3.006 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)sc1Br ZINC000453266155 310268098 /nfs/dbraw/zinc/26/80/98/310268098.db2.gz KPKJLLMDCIZPNC-FXPVBKGRSA-N 2 2 332.311 3.032 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)sc1Br ZINC000453266155 310268099 /nfs/dbraw/zinc/26/80/99/310268099.db2.gz KPKJLLMDCIZPNC-FXPVBKGRSA-N 2 2 332.311 3.032 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452353409 310224638 /nfs/dbraw/zinc/22/46/38/310224638.db2.gz JKEYGLMQLNGQLN-KRWDZBQOSA-N 2 2 328.460 3.406 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092985 310257370 /nfs/dbraw/zinc/25/73/70/310257370.db2.gz ROWWQUXBWNTVFX-VYDXJSESSA-N 2 2 330.501 3.452 20 0 EGADLP CCCC[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453124131 310259506 /nfs/dbraw/zinc/25/95/06/310259506.db2.gz PXDZCBHWJDZCCX-QGZVFWFLSA-N 2 2 334.895 3.484 20 0 EGADLP CCCC[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453124131 310259507 /nfs/dbraw/zinc/25/95/07/310259507.db2.gz PXDZCBHWJDZCCX-QGZVFWFLSA-N 2 2 334.895 3.484 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+][C@H](C)Cc3cnccn3)ccc2n1C1CC1 ZINC000453213886 310264406 /nfs/dbraw/zinc/26/44/06/310264406.db2.gz MNZFXFGIHFJCSP-CQSZACIVSA-N 2 2 335.455 3.444 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254204 310267025 /nfs/dbraw/zinc/26/70/25/310267025.db2.gz DHCZPNMGPMKAFY-LAUBAEHRSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254204 310267026 /nfs/dbraw/zinc/26/70/26/310267026.db2.gz DHCZPNMGPMKAFY-LAUBAEHRSA-N 2 2 339.483 3.246 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264412 310267744 /nfs/dbraw/zinc/26/77/44/310267744.db2.gz MWKJMSSVDRDXJY-RDJZCZTQSA-N 2 2 340.895 3.236 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264412 310267745 /nfs/dbraw/zinc/26/77/45/310267745.db2.gz MWKJMSSVDRDXJY-RDJZCZTQSA-N 2 2 340.895 3.236 20 0 EGADLP C[NH+](C)CC(C)(C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000454799970 310330265 /nfs/dbraw/zinc/33/02/65/310330265.db2.gz ZJVILNHAJRIHFS-UHFFFAOYSA-N 2 2 328.416 3.336 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC000455475010 310362652 /nfs/dbraw/zinc/36/26/52/310362652.db2.gz KMKQKOKJKCMXAJ-DVOMOZLQSA-N 2 2 332.492 3.495 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)[nH+]1 ZINC000455475010 310362653 /nfs/dbraw/zinc/36/26/53/310362653.db2.gz KMKQKOKJKCMXAJ-DVOMOZLQSA-N 2 2 332.492 3.495 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)ccc21 ZINC000456272129 310396047 /nfs/dbraw/zinc/39/60/47/310396047.db2.gz LDGWYQFQQJFHKX-SFTDATJTSA-N 2 2 349.478 3.449 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000456272129 310396048 /nfs/dbraw/zinc/39/60/48/310396048.db2.gz LDGWYQFQQJFHKX-SFTDATJTSA-N 2 2 349.478 3.449 20 0 EGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000474463839 310794220 /nfs/dbraw/zinc/79/42/20/310794220.db2.gz HOFBKYSKADLOPY-IAGOWNOFSA-N 2 2 326.550 3.143 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc2c(c1)OCO2 ZINC000480768503 310900915 /nfs/dbraw/zinc/90/09/15/310900915.db2.gz KEFNREXUVJJJKS-OAHLLOKOSA-N 2 2 348.512 3.428 20 0 EGADLP C[N@H+](CCOc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487414990 311022584 /nfs/dbraw/zinc/02/25/84/311022584.db2.gz OLGSQHFVQIOUMB-UHFFFAOYSA-N 2 2 330.394 3.414 20 0 EGADLP C[N@@H+](CCOc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487414990 311022585 /nfs/dbraw/zinc/02/25/85/311022585.db2.gz OLGSQHFVQIOUMB-UHFFFAOYSA-N 2 2 330.394 3.414 20 0 EGADLP CC(C)[C@@H]1C[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CS1 ZINC000488461078 311066754 /nfs/dbraw/zinc/06/67/54/311066754.db2.gz KSPZDCLYSZKSFW-PVAVHDDUSA-N 2 2 334.533 3.164 20 0 EGADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000492191858 311225355 /nfs/dbraw/zinc/22/53/55/311225355.db2.gz BWBKRRZWYRGYSU-UHFFFAOYSA-N 2 2 333.398 3.442 20 0 EGADLP COc1cc(/C=C/C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)ccc1F ZINC000492198204 311225439 /nfs/dbraw/zinc/22/54/39/311225439.db2.gz KUVUZRQBKNEYOA-HWKANZROSA-N 2 2 338.342 3.067 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000492248936 311229942 /nfs/dbraw/zinc/22/99/42/311229942.db2.gz DWXVTGNYLGBSDE-PTZVLDCSSA-N 2 2 346.500 3.177 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000492797279 311292235 /nfs/dbraw/zinc/29/22/35/311292235.db2.gz YADWKNBNXKNDRV-BZUAXINKSA-N 2 2 348.491 3.014 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000493192413 311340508 /nfs/dbraw/zinc/34/05/08/311340508.db2.gz QVJSMMANRVRNLW-QWGSZXSUSA-N 2 2 346.862 3.276 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000493192413 311340511 /nfs/dbraw/zinc/34/05/11/311340511.db2.gz QVJSMMANRVRNLW-QWGSZXSUSA-N 2 2 346.862 3.276 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)/C=C\c3[nH]cc[nH+]3)c2)CC1 ZINC000493672763 311413390 /nfs/dbraw/zinc/41/33/90/311413390.db2.gz IOMHZTIOGZIDCU-WAYWQWQTSA-N 2 2 338.455 3.336 20 0 EGADLP CCCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000494392117 311474829 /nfs/dbraw/zinc/47/48/29/311474829.db2.gz NEASTMUVALSHLS-MRXNPFEDSA-N 2 2 329.444 3.175 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)CCC2 ZINC000495088977 311536888 /nfs/dbraw/zinc/53/68/88/311536888.db2.gz WPEFOSQYFVFSDB-YJBOKZPZSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496904862 311782819 /nfs/dbraw/zinc/78/28/19/311782819.db2.gz WREWIPVAGNEOJX-SJORKVTESA-N 2 2 333.476 3.358 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000507516840 312075961 /nfs/dbraw/zinc/07/59/61/312075961.db2.gz XATLOZHDVFHDPF-WMQCIHAUSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000507516840 312075963 /nfs/dbraw/zinc/07/59/63/312075963.db2.gz XATLOZHDVFHDPF-WMQCIHAUSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672614 312192326 /nfs/dbraw/zinc/19/23/26/312192326.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672614 312192328 /nfs/dbraw/zinc/19/23/28/312192328.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@H+](C)C1CC1 ZINC000512672614 312192330 /nfs/dbraw/zinc/19/23/30/312192330.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@@H+](C)C1CC1 ZINC000512672614 312192333 /nfs/dbraw/zinc/19/23/33/312192333.db2.gz LLRVERXORANIMQ-HGIWEUDGSA-N 3 2 341.543 3.359 20 0 EGADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000512839664 312196909 /nfs/dbraw/zinc/19/69/09/312196909.db2.gz JXHJRFYKHJIVKQ-UHFFFAOYSA-N 2 2 348.531 3.369 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+]CC(=O)N(C)C2CCCCC2)c2ccccn21 ZINC000515188895 312270385 /nfs/dbraw/zinc/27/03/85/312270385.db2.gz ZIKYJGVRXHJKKY-UHFFFAOYSA-N 2 2 342.487 3.338 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000516565655 312330007 /nfs/dbraw/zinc/33/00/07/312330007.db2.gz HLRBRXGFPROLLT-INIZCTEOSA-N 2 2 345.535 3.169 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000516565655 312330008 /nfs/dbraw/zinc/33/00/08/312330008.db2.gz HLRBRXGFPROLLT-INIZCTEOSA-N 2 2 345.535 3.169 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000516981025 312356393 /nfs/dbraw/zinc/35/63/93/312356393.db2.gz HKELIMUXQAQWTK-IBGZPJMESA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000516981025 312356394 /nfs/dbraw/zinc/35/63/94/312356394.db2.gz HKELIMUXQAQWTK-IBGZPJMESA-N 2 2 332.488 3.161 20 0 EGADLP COc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000517747688 312392223 /nfs/dbraw/zinc/39/22/23/312392223.db2.gz CBUHKNDRYCUPSC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000517747688 312392226 /nfs/dbraw/zinc/39/22/26/312392226.db2.gz CBUHKNDRYCUPSC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000517747688 312392227 /nfs/dbraw/zinc/39/22/27/312392227.db2.gz CBUHKNDRYCUPSC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000517747688 312392229 /nfs/dbraw/zinc/39/22/29/312392229.db2.gz CBUHKNDRYCUPSC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cc(F)c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000519705904 312472723 /nfs/dbraw/zinc/47/27/23/312472723.db2.gz NUUARZIESALHKS-QGZVFWFLSA-N 2 2 326.456 3.299 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCOCC1 ZINC000527869565 312962376 /nfs/dbraw/zinc/96/23/76/312962376.db2.gz RFCOMLSWGRWSIY-SJCJKPOMSA-N 2 2 326.843 3.024 20 0 EGADLP Cc1ccc2cc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)ccc2n1 ZINC000529665187 313381037 /nfs/dbraw/zinc/38/10/37/313381037.db2.gz TYKYTSVMPGVLLV-UHFFFAOYSA-N 2 2 339.483 3.230 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619218 314131385 /nfs/dbraw/zinc/13/13/85/314131385.db2.gz NPECPEWHRMICAT-AEFFLSMTSA-N 2 2 338.455 3.077 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619218 314131388 /nfs/dbraw/zinc/13/13/88/314131388.db2.gz NPECPEWHRMICAT-AEFFLSMTSA-N 2 2 338.455 3.077 20 0 EGADLP FC1(F)CCC(Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000536657965 314135315 /nfs/dbraw/zinc/13/53/15/314135315.db2.gz DKGAVCZUAJYBOT-UHFFFAOYSA-N 2 2 330.342 3.200 20 0 EGADLP CC[N@H+](CCCNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000538538174 314253703 /nfs/dbraw/zinc/25/37/03/314253703.db2.gz UHUCNLDSHDSWQD-UHFFFAOYSA-N 2 2 346.519 3.030 20 0 EGADLP CC[N@@H+](CCCNC(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000538538174 314253707 /nfs/dbraw/zinc/25/37/07/314253707.db2.gz UHUCNLDSHDSWQD-UHFFFAOYSA-N 2 2 346.519 3.030 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000539093494 314296131 /nfs/dbraw/zinc/29/61/31/314296131.db2.gz QKORMMKQXHSYSI-UWJYYQICSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000539093494 314296133 /nfs/dbraw/zinc/29/61/33/314296133.db2.gz QKORMMKQXHSYSI-UWJYYQICSA-N 2 2 330.516 3.474 20 0 EGADLP c1c(CC[NH2+][C@@H](c2ccccc2)c2cncnc2)[nH+]c2ccccn12 ZINC000542669115 314567524 /nfs/dbraw/zinc/56/75/24/314567524.db2.gz VDKXAIHYTAELFF-FQEVSTJZSA-N 2 2 329.407 3.046 20 0 EGADLP Clc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548622693 315027670 /nfs/dbraw/zinc/02/76/70/315027670.db2.gz BXLHHHJZQRMSBH-OAHLLOKOSA-N 2 2 327.819 3.031 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000548635915 315028964 /nfs/dbraw/zinc/02/89/64/315028964.db2.gz WGJSYIRAPXROPS-UONOGXRCSA-N 2 2 346.862 3.167 20 0 EGADLP CC1(C)CCc2cc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)ccc2O1 ZINC000551964473 315183302 /nfs/dbraw/zinc/18/33/02/315183302.db2.gz FZUHETRCARSKQN-UHFFFAOYSA-N 2 2 348.450 3.464 20 0 EGADLP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000553095420 315244895 /nfs/dbraw/zinc/24/48/95/315244895.db2.gz VQFGJYLHSVHOOD-RXVVDRJESA-N 2 2 338.495 3.373 20 0 EGADLP Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000553095420 315244896 /nfs/dbraw/zinc/24/48/96/315244896.db2.gz VQFGJYLHSVHOOD-RXVVDRJESA-N 2 2 338.495 3.373 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC23CCOCC3)[nH+]1 ZINC000554561061 315333098 /nfs/dbraw/zinc/33/30/98/315333098.db2.gz OIZMMAUSGSCDEF-SFHVURJKSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[NH+]1CC(C)C1 ZINC000561109520 315741258 /nfs/dbraw/zinc/74/12/58/315741258.db2.gz KRUPOKOCZLELIW-CQSZACIVSA-N 2 2 326.444 3.041 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000563528332 316033262 /nfs/dbraw/zinc/03/32/62/316033262.db2.gz XVCVEQQOYQETCA-WOJBJXKFSA-N 3 2 332.451 3.208 20 0 EGADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000563765640 316065886 /nfs/dbraw/zinc/06/58/86/316065886.db2.gz GOHIMCZAXCZNQV-MSOLQXFVSA-N 2 2 337.552 3.301 20 0 EGADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000563765640 316065887 /nfs/dbraw/zinc/06/58/87/316065887.db2.gz GOHIMCZAXCZNQV-MSOLQXFVSA-N 2 2 337.552 3.301 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563975896 316099464 /nfs/dbraw/zinc/09/94/64/316099464.db2.gz JZVSYHJCZDDGOO-ADAWSYLGSA-N 3 2 339.886 3.331 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563975896 316099467 /nfs/dbraw/zinc/09/94/67/316099467.db2.gz JZVSYHJCZDDGOO-ADAWSYLGSA-N 3 2 339.886 3.331 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000564377308 316144189 /nfs/dbraw/zinc/14/41/89/316144189.db2.gz FZQNNMVMKDFAAH-GOSISDBHSA-N 2 2 349.438 3.120 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000564377308 316144191 /nfs/dbraw/zinc/14/41/91/316144191.db2.gz FZQNNMVMKDFAAH-GOSISDBHSA-N 2 2 349.438 3.120 20 0 EGADLP CC(C)c1nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)cc[nH+]1 ZINC000565070219 316260054 /nfs/dbraw/zinc/26/00/54/316260054.db2.gz RAEFMZMWQMSLRL-UHFFFAOYSA-N 2 2 333.439 3.475 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1C ZINC000565238834 316296802 /nfs/dbraw/zinc/29/68/02/316296802.db2.gz SILFNILLZWSMTA-ZDUSSCGKSA-N 2 2 339.270 3.404 20 0 EGADLP CC(C)c1[nH+]c(CN2CC[NH+](Cc3ccccn3)CC2)c2ccccn21 ZINC000569128391 316870709 /nfs/dbraw/zinc/87/07/09/316870709.db2.gz MCWYUQOIJBQJIV-UHFFFAOYSA-N 2 2 349.482 3.171 20 0 EGADLP CC(C)c1nc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000570232930 317025777 /nfs/dbraw/zinc/02/57/77/317025777.db2.gz GWTAYYDFFXIQBJ-HOTGVXAUSA-N 2 2 346.519 3.197 20 0 EGADLP CC(C)c1nc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000570232931 317025877 /nfs/dbraw/zinc/02/58/77/317025877.db2.gz GWTAYYDFFXIQBJ-HZPDHXFCSA-N 2 2 346.519 3.197 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507527 317065735 /nfs/dbraw/zinc/06/57/35/317065735.db2.gz MSKIGJCYYILMHR-VLIAUNLRSA-N 2 2 349.478 3.454 20 0 EGADLP Cc1ccc2cc[nH+]c(NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000570628263 317083500 /nfs/dbraw/zinc/08/35/00/317083500.db2.gz PNTXSZAHWNZKIR-IBGZPJMESA-N 2 2 326.488 3.227 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000571653036 317229364 /nfs/dbraw/zinc/22/93/64/317229364.db2.gz FTBHRRDXJUXVQA-CQSZACIVSA-N 2 2 339.361 3.351 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000571653036 317229367 /nfs/dbraw/zinc/22/93/67/317229367.db2.gz FTBHRRDXJUXVQA-CQSZACIVSA-N 2 2 339.361 3.351 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(SC)cc2)CC1 ZINC000171940424 323262774 /nfs/dbraw/zinc/26/27/74/323262774.db2.gz JYMASOYSEWOOKH-UHFFFAOYSA-N 2 2 335.517 3.153 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)CC1 ZINC000171940424 323262778 /nfs/dbraw/zinc/26/27/78/323262778.db2.gz JYMASOYSEWOOKH-UHFFFAOYSA-N 2 2 335.517 3.153 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000176748282 323333229 /nfs/dbraw/zinc/33/32/29/323333229.db2.gz KQSGKJAOCLJPLM-UHFFFAOYSA-N 2 2 346.515 3.379 20 0 EGADLP CC(C)CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000178601290 323358612 /nfs/dbraw/zinc/35/86/12/323358612.db2.gz ZICFZHDCSTXWEM-PMACEKPBSA-N 2 2 345.531 3.475 20 0 EGADLP Fc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1F ZINC000390712381 324283013 /nfs/dbraw/zinc/28/30/13/324283013.db2.gz IHPOLXDRYCSSIV-SFHVURJKSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1F ZINC000390712381 324283017 /nfs/dbraw/zinc/28/30/17/324283017.db2.gz IHPOLXDRYCSSIV-SFHVURJKSA-N 2 2 346.421 3.346 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000575188372 324434302 /nfs/dbraw/zinc/43/43/02/324434302.db2.gz VZSSORFZNBRVCV-LLVKDONJSA-N 2 2 344.286 3.381 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000578662691 325000895 /nfs/dbraw/zinc/00/08/95/325000895.db2.gz SBIBQGWCPRAAHY-ONCXSQPRSA-N 2 2 346.515 3.464 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000578662691 325000899 /nfs/dbraw/zinc/00/08/99/325000899.db2.gz SBIBQGWCPRAAHY-ONCXSQPRSA-N 2 2 346.515 3.464 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1C ZINC000578669805 325002204 /nfs/dbraw/zinc/00/22/04/325002204.db2.gz TWNAOOZGWJGKDC-LBPRGKRZSA-N 2 2 327.407 3.213 20 0 EGADLP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000578981248 325045197 /nfs/dbraw/zinc/04/51/97/325045197.db2.gz IVUGHORYNYTFTK-IXDOHACOSA-N 2 2 347.528 3.278 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)c2ccccn21 ZINC000579482527 325117085 /nfs/dbraw/zinc/11/70/85/325117085.db2.gz WMRIHYDMTFZTTM-CVEARBPZSA-N 2 2 342.487 3.337 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097180 325204354 /nfs/dbraw/zinc/20/43/54/325204354.db2.gz DBWGEWDEXCKGBN-MJGOQNOKSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097180 325204356 /nfs/dbraw/zinc/20/43/56/325204356.db2.gz DBWGEWDEXCKGBN-MJGOQNOKSA-N 2 2 345.531 3.213 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000581409239 325358395 /nfs/dbraw/zinc/35/83/95/325358395.db2.gz HLSFPVMCNIUSEK-CYBMUJFWSA-N 2 2 325.368 3.103 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000581437147 325361715 /nfs/dbraw/zinc/36/17/15/325361715.db2.gz CDASMPUNVWHAOV-FXAWDEMLSA-N 2 2 342.483 3.229 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000581437147 325361717 /nfs/dbraw/zinc/36/17/17/325361717.db2.gz CDASMPUNVWHAOV-FXAWDEMLSA-N 2 2 342.483 3.229 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000581662861 325380616 /nfs/dbraw/zinc/38/06/16/325380616.db2.gz BFMCNURXRODANS-LQWHRVPQSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000581662861 325380618 /nfs/dbraw/zinc/38/06/18/325380618.db2.gz BFMCNURXRODANS-LQWHRVPQSA-N 2 2 326.484 3.261 20 0 EGADLP Oc1cccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851533 325392927 /nfs/dbraw/zinc/39/29/27/325392927.db2.gz QXZFDOQCFVLWCR-AZUAARDMSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851533 325392930 /nfs/dbraw/zinc/39/29/30/325392930.db2.gz QXZFDOQCFVLWCR-AZUAARDMSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581851533 325392933 /nfs/dbraw/zinc/39/29/33/325392933.db2.gz QXZFDOQCFVLWCR-AZUAARDMSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581851533 325392935 /nfs/dbraw/zinc/39/29/35/325392935.db2.gz QXZFDOQCFVLWCR-AZUAARDMSA-N 2 2 337.467 3.274 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)cc2)c1C ZINC000583180446 325501263 /nfs/dbraw/zinc/50/12/63/325501263.db2.gz IEWMFZASFRNYIH-INIZCTEOSA-N 2 2 335.411 3.271 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1Cl ZINC000365342386 457745418 /nfs/dbraw/zinc/74/54/18/457745418.db2.gz FDTZKUDAPGVQJD-VXGBXAGGSA-N 2 2 333.234 3.085 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1Cl ZINC000365342386 457745422 /nfs/dbraw/zinc/74/54/22/457745422.db2.gz FDTZKUDAPGVQJD-VXGBXAGGSA-N 2 2 333.234 3.085 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469851621 458597325 /nfs/dbraw/zinc/59/73/25/458597325.db2.gz ZOOXESUMUSSOSC-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469851621 458597331 /nfs/dbraw/zinc/59/73/31/458597331.db2.gz ZOOXESUMUSSOSC-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907120 459434458 /nfs/dbraw/zinc/43/44/58/459434458.db2.gz IVEBORUPYDAFHO-SQNIBIBYSA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c4c(C)cccn34)c2)CC1 ZINC000190009045 455271679 /nfs/dbraw/zinc/27/16/79/455271679.db2.gz ZWKRICVSWVCQHI-UHFFFAOYSA-N 2 2 349.482 3.397 20 0 EGADLP CCC[N@H+](Cc1coc(-c2cccc(OC)c2)n1)C1CC[NH2+]CC1 ZINC000631822904 460573547 /nfs/dbraw/zinc/57/35/47/460573547.db2.gz RNUUUBCYDUMWEQ-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP CCC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)C1CC[NH2+]CC1 ZINC000631822904 460573552 /nfs/dbraw/zinc/57/35/52/460573552.db2.gz RNUUUBCYDUMWEQ-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000265475430 455331797 /nfs/dbraw/zinc/33/17/97/455331797.db2.gz JCSFKYJHEWNRJP-UHFFFAOYSA-N 2 2 332.835 3.190 20 0 EGADLP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616751335 460613332 /nfs/dbraw/zinc/61/33/32/460613332.db2.gz URYNJBQMWITYEW-QGZVFWFLSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616751335 460613338 /nfs/dbraw/zinc/61/33/38/460613338.db2.gz URYNJBQMWITYEW-QGZVFWFLSA-N 2 2 327.428 3.098 20 0 EGADLP c1cnn(-c2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cc2)c1 ZINC000030651561 453837326 /nfs/dbraw/zinc/83/73/26/453837326.db2.gz OLIGROLGFLAWCD-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000081516890 453880909 /nfs/dbraw/zinc/88/09/09/453880909.db2.gz IVRXKROOHIWEJW-UYAOXDASSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000081516890 453880912 /nfs/dbraw/zinc/88/09/12/453880912.db2.gz IVRXKROOHIWEJW-UYAOXDASSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000081516890 453880914 /nfs/dbraw/zinc/88/09/14/453880914.db2.gz IVRXKROOHIWEJW-UYAOXDASSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000081516890 453880918 /nfs/dbraw/zinc/88/09/18/453880918.db2.gz IVRXKROOHIWEJW-UYAOXDASSA-N 2 2 345.531 3.308 20 0 EGADLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1OC ZINC000076901149 454047319 /nfs/dbraw/zinc/04/73/19/454047319.db2.gz DAXNLHFRYQTKMB-UHFFFAOYSA-N 2 2 339.439 3.313 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801657 454055625 /nfs/dbraw/zinc/05/56/25/454055625.db2.gz FDQNATQRKSWRFM-CJNGLKHVSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801657 454055628 /nfs/dbraw/zinc/05/56/28/454055628.db2.gz FDQNATQRKSWRFM-CJNGLKHVSA-N 2 2 330.303 3.280 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000077248802 454081567 /nfs/dbraw/zinc/08/15/67/454081567.db2.gz GSANJIVQSAKCFW-UHFFFAOYSA-N 2 2 344.286 3.348 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000077248802 454081571 /nfs/dbraw/zinc/08/15/71/454081571.db2.gz GSANJIVQSAKCFW-UHFFFAOYSA-N 2 2 344.286 3.348 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000077248907 454081981 /nfs/dbraw/zinc/08/19/81/454081981.db2.gz ZZPHPYLCFYOFRY-UHFFFAOYSA-N 2 2 329.444 3.266 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000077248907 454081986 /nfs/dbraw/zinc/08/19/86/454081986.db2.gz ZZPHPYLCFYOFRY-UHFFFAOYSA-N 2 2 329.444 3.266 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]cc3Cl)C2)cc(OC)c1 ZINC000088751545 454118539 /nfs/dbraw/zinc/11/85/39/454118539.db2.gz WNUZWTWAGPPWFS-CQSZACIVSA-N 2 2 347.846 3.439 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Nc3cc[nH+]cc3Cl)C2)cc(OC)c1 ZINC000088751545 454118543 /nfs/dbraw/zinc/11/85/43/454118543.db2.gz WNUZWTWAGPPWFS-CQSZACIVSA-N 2 2 347.846 3.439 20 0 EGADLP Clc1ccc(-c2noc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000069774973 454142784 /nfs/dbraw/zinc/14/27/84/454142784.db2.gz ANPIKQRZPSIGQC-UHFFFAOYSA-N 2 2 343.818 3.424 20 0 EGADLP FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804004 454145984 /nfs/dbraw/zinc/14/59/84/454145984.db2.gz MFNHOIKARBOZNA-OAHLLOKOSA-N 2 2 342.405 3.250 20 0 EGADLP FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804004 454145986 /nfs/dbraw/zinc/14/59/86/454145986.db2.gz MFNHOIKARBOZNA-OAHLLOKOSA-N 2 2 342.405 3.250 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1 ZINC000069847614 454152458 /nfs/dbraw/zinc/15/24/58/454152458.db2.gz NZVHUMVLGYVXJA-HNNXBMFYSA-N 2 2 325.456 3.005 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(Cc2ccccc2)n1 ZINC000130386901 454194348 /nfs/dbraw/zinc/19/43/48/454194348.db2.gz GTADPYHFGYDHPI-UHFFFAOYSA-N 2 2 326.469 3.453 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(Cc2ccccc2)n1 ZINC000130386901 454194353 /nfs/dbraw/zinc/19/43/53/454194353.db2.gz GTADPYHFGYDHPI-UHFFFAOYSA-N 2 2 326.469 3.453 20 0 EGADLP C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095968304 454243030 /nfs/dbraw/zinc/24/30/30/454243030.db2.gz XBLKIWZEHBXNBC-KDOFPFPSSA-N 2 2 327.453 3.492 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000131370515 454249196 /nfs/dbraw/zinc/24/91/96/454249196.db2.gz GRVUQITZZMGXQL-YOEHRIQHSA-N 2 2 333.863 3.062 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000131370515 454249200 /nfs/dbraw/zinc/24/92/00/454249200.db2.gz GRVUQITZZMGXQL-YOEHRIQHSA-N 2 2 333.863 3.062 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCCC2 ZINC000089986155 454254664 /nfs/dbraw/zinc/25/46/64/454254664.db2.gz YSNZYLOPANQRJA-UXHICEINSA-N 2 2 343.515 3.373 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000090003517 454260328 /nfs/dbraw/zinc/26/03/28/454260328.db2.gz ISLSHYNWESKOIA-AWEZNQCLSA-N 2 2 343.862 3.176 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000090003517 454260334 /nfs/dbraw/zinc/26/03/34/454260334.db2.gz ISLSHYNWESKOIA-AWEZNQCLSA-N 2 2 343.862 3.176 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccccc1Br ZINC000090047458 454267242 /nfs/dbraw/zinc/26/72/42/454267242.db2.gz SLTWCSTYJXKDQS-UONOGXRCSA-N 2 2 341.293 3.211 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(C)n1 ZINC000132163633 454318186 /nfs/dbraw/zinc/31/81/86/454318186.db2.gz FAFWBPSUAZBBAR-OAHLLOKOSA-N 2 2 335.455 3.232 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719159 454332936 /nfs/dbraw/zinc/33/29/36/454332936.db2.gz XEGNBQXCCUHNNK-ZWKOTPCHSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719159 454332941 /nfs/dbraw/zinc/33/29/41/454332941.db2.gz XEGNBQXCCUHNNK-ZWKOTPCHSA-N 2 2 329.488 3.130 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(F)cn1 ZINC000090667720 454334472 /nfs/dbraw/zinc/33/44/72/454334472.db2.gz MAJPUGARLDYJRQ-GJZGRUSLSA-N 2 2 328.435 3.492 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cccc2c1OCCCO2 ZINC000047496128 454377896 /nfs/dbraw/zinc/37/78/96/454377896.db2.gz NEVBIIJXDBYYOD-UHFFFAOYSA-N 2 2 337.423 3.296 20 0 EGADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000121716413 454468338 /nfs/dbraw/zinc/46/83/38/454468338.db2.gz RVULPKYZKDYDEH-FQEVSTJZSA-N 2 2 341.499 3.179 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000121716413 454468345 /nfs/dbraw/zinc/46/83/45/454468345.db2.gz RVULPKYZKDYDEH-FQEVSTJZSA-N 2 2 341.499 3.179 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567675 460812959 /nfs/dbraw/zinc/81/29/59/460812959.db2.gz PVJRFABWTKEBFB-RYUDHWBXSA-N 2 2 336.785 3.178 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567675 460812964 /nfs/dbraw/zinc/81/29/64/460812964.db2.gz PVJRFABWTKEBFB-RYUDHWBXSA-N 2 2 336.785 3.178 20 0 EGADLP FC(F)(F)c1ccc2c(NCCC[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000064516704 454488156 /nfs/dbraw/zinc/48/81/56/454488156.db2.gz OLMGIADJIUAXKL-UHFFFAOYSA-N 2 2 339.361 3.388 20 0 EGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000092066189 454512086 /nfs/dbraw/zinc/51/20/86/454512086.db2.gz JGDYCAGXACKXEB-YLJYHZDGSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000092066189 454512088 /nfs/dbraw/zinc/51/20/88/454512088.db2.gz JGDYCAGXACKXEB-YLJYHZDGSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000092066189 454512091 /nfs/dbraw/zinc/51/20/91/454512091.db2.gz JGDYCAGXACKXEB-YLJYHZDGSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000092066189 454512095 /nfs/dbraw/zinc/51/20/95/454512095.db2.gz JGDYCAGXACKXEB-YLJYHZDGSA-N 2 2 330.520 3.359 20 0 EGADLP CC(C)COc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079234 454519502 /nfs/dbraw/zinc/51/95/02/454519502.db2.gz KVNGYOCGZHLDCN-SFHVURJKSA-N 2 2 346.515 3.407 20 0 EGADLP CC(C)COc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079234 454519504 /nfs/dbraw/zinc/51/95/04/454519504.db2.gz KVNGYOCGZHLDCN-SFHVURJKSA-N 2 2 346.515 3.407 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1C ZINC000266769717 455450275 /nfs/dbraw/zinc/45/02/75/455450275.db2.gz WOXDDLRVIZVQKC-UHFFFAOYSA-N 2 2 332.473 3.145 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000092587986 454591261 /nfs/dbraw/zinc/59/12/61/454591261.db2.gz RARLIILJYSTLMF-JKSUJKDBSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000092587986 454591253 /nfs/dbraw/zinc/59/12/53/454591253.db2.gz RARLIILJYSTLMF-JKSUJKDBSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000092587986 454591255 /nfs/dbraw/zinc/59/12/55/454591255.db2.gz RARLIILJYSTLMF-JKSUJKDBSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000092587986 454591258 /nfs/dbraw/zinc/59/12/58/454591258.db2.gz RARLIILJYSTLMF-JKSUJKDBSA-N 2 2 336.549 3.296 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867363 454600785 /nfs/dbraw/zinc/60/07/85/454600785.db2.gz DKBQVVPQAYLGOM-UYAOXDASSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867363 454600792 /nfs/dbraw/zinc/60/07/92/454600792.db2.gz DKBQVVPQAYLGOM-UYAOXDASSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867363 454600795 /nfs/dbraw/zinc/60/07/95/454600795.db2.gz DKBQVVPQAYLGOM-UYAOXDASSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867363 454600801 /nfs/dbraw/zinc/60/08/01/454600801.db2.gz DKBQVVPQAYLGOM-UYAOXDASSA-N 2 2 347.547 3.022 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000080645560 454611602 /nfs/dbraw/zinc/61/16/02/454611602.db2.gz HXYJBQPGPKFTNS-HNNXBMFYSA-N 2 2 338.496 3.077 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002064 454646530 /nfs/dbraw/zinc/64/65/30/454646530.db2.gz HHWHPZLLFLYGPT-QZTJIDSGSA-N 2 2 335.536 3.116 20 0 EGADLP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933719 454651038 /nfs/dbraw/zinc/65/10/38/454651038.db2.gz FVNGREBAFPWEGJ-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1cccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933719 454651043 /nfs/dbraw/zinc/65/10/43/454651043.db2.gz FVNGREBAFPWEGJ-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926128 460646466 /nfs/dbraw/zinc/64/64/66/460646466.db2.gz HAJVIFZOLSUTBA-ROUUACIJSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926128 460646474 /nfs/dbraw/zinc/64/64/74/460646474.db2.gz HAJVIFZOLSUTBA-ROUUACIJSA-N 2 2 349.906 3.077 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000080960089 454657464 /nfs/dbraw/zinc/65/74/64/454657464.db2.gz JHVBHTOMSCDZLL-LLVKDONJSA-N 2 2 336.798 3.020 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000080960089 454657469 /nfs/dbraw/zinc/65/74/69/454657469.db2.gz JHVBHTOMSCDZLL-LLVKDONJSA-N 2 2 336.798 3.020 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000123618109 454657869 /nfs/dbraw/zinc/65/78/69/454657869.db2.gz GGUILQYHOZLPCM-AWEZNQCLSA-N 2 2 335.398 3.476 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000123618109 454657874 /nfs/dbraw/zinc/65/78/74/454657874.db2.gz GGUILQYHOZLPCM-AWEZNQCLSA-N 2 2 335.398 3.476 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)[nH]1 ZINC000080959203 454658122 /nfs/dbraw/zinc/65/81/22/454658122.db2.gz IOJNHSCONDYCBE-INIZCTEOSA-N 2 2 347.466 3.464 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)[nH]1 ZINC000080959203 454658125 /nfs/dbraw/zinc/65/81/25/454658125.db2.gz IOJNHSCONDYCBE-INIZCTEOSA-N 2 2 347.466 3.464 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960694 454659047 /nfs/dbraw/zinc/65/90/47/454659047.db2.gz KXZYKTONJUOCHV-MRXNPFEDSA-N 2 2 326.444 3.099 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960694 454659051 /nfs/dbraw/zinc/65/90/51/454659051.db2.gz KXZYKTONJUOCHV-MRXNPFEDSA-N 2 2 326.444 3.099 20 0 EGADLP c1c2ccccc2sc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017245 454670823 /nfs/dbraw/zinc/67/08/23/454670823.db2.gz BHCPUWYCTRFYQK-INIZCTEOSA-N 2 2 330.497 3.446 20 0 EGADLP c1c2ccccc2sc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017245 454670827 /nfs/dbraw/zinc/67/08/27/454670827.db2.gz BHCPUWYCTRFYQK-INIZCTEOSA-N 2 2 330.497 3.446 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000106855243 454723976 /nfs/dbraw/zinc/72/39/76/454723976.db2.gz FCQHFMSZZBIJBQ-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000106855243 454723980 /nfs/dbraw/zinc/72/39/80/454723980.db2.gz FCQHFMSZZBIJBQ-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000106855243 454723983 /nfs/dbraw/zinc/72/39/83/454723983.db2.gz FCQHFMSZZBIJBQ-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000106855243 454723987 /nfs/dbraw/zinc/72/39/87/454723987.db2.gz FCQHFMSZZBIJBQ-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124441708 454733303 /nfs/dbraw/zinc/73/33/03/454733303.db2.gz ARGDZUXEESVDAD-INIZCTEOSA-N 2 2 336.439 3.385 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866281 454740932 /nfs/dbraw/zinc/74/09/32/454740932.db2.gz YOGLHDDBBVHTMS-QGZVFWFLSA-N 2 2 341.430 3.474 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866281 454740935 /nfs/dbraw/zinc/74/09/35/454740935.db2.gz YOGLHDDBBVHTMS-QGZVFWFLSA-N 2 2 341.430 3.474 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccs1 ZINC000162015651 454746250 /nfs/dbraw/zinc/74/62/50/454746250.db2.gz QLHFVJPGKARAAX-INIZCTEOSA-N 2 2 346.496 3.310 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccs1 ZINC000162015772 454746688 /nfs/dbraw/zinc/74/66/88/454746688.db2.gz QLHFVJPGKARAAX-MRXNPFEDSA-N 2 2 346.496 3.310 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977660 454749149 /nfs/dbraw/zinc/74/91/49/454749149.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977660 454749152 /nfs/dbraw/zinc/74/91/52/454749152.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152977660 454749159 /nfs/dbraw/zinc/74/91/59/454749159.db2.gz VKOYWZVIPGRYMP-UKAVVXHISA-N 3 2 329.532 3.359 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000107344778 454752588 /nfs/dbraw/zinc/75/25/88/454752588.db2.gz CGYUKWBNGJTQNI-UHFFFAOYSA-N 2 2 329.448 3.108 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2C1 ZINC000162195725 454758642 /nfs/dbraw/zinc/75/86/42/454758642.db2.gz FKALJYWSCOYFDE-HNNXBMFYSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2C1 ZINC000162195725 454758646 /nfs/dbraw/zinc/75/86/46/454758646.db2.gz FKALJYWSCOYFDE-HNNXBMFYSA-N 2 2 338.455 3.056 20 0 EGADLP Cn1c2ccc(NC(=O)C3CC[NH+](C)CC3)cc2[nH+]c1C(C)(C)C ZINC000162261963 454763664 /nfs/dbraw/zinc/76/36/64/454763664.db2.gz RCQHBTAYVWABND-UHFFFAOYSA-N 2 2 328.460 3.151 20 0 EGADLP Fc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)c1 ZINC000635010959 460654598 /nfs/dbraw/zinc/65/45/98/460654598.db2.gz CCHMWQXTXBJPSQ-LEWJYISDSA-N 2 2 339.458 3.441 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(C)cc1 ZINC000635010706 460654600 /nfs/dbraw/zinc/65/46/00/460654600.db2.gz KZDXTICZVSVJML-NVXWUHKLSA-N 2 2 341.503 3.313 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000125269040 454809124 /nfs/dbraw/zinc/80/91/24/454809124.db2.gz OKHBVFOPDXQGFI-JKSUJKDBSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000125269040 454809126 /nfs/dbraw/zinc/80/91/26/454809126.db2.gz OKHBVFOPDXQGFI-JKSUJKDBSA-N 2 2 334.460 3.243 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000126062088 454867736 /nfs/dbraw/zinc/86/77/36/454867736.db2.gz WMTJSJQNZZBFGP-LIRRHRJNSA-N 2 2 334.423 3.058 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000126489860 454897943 /nfs/dbraw/zinc/89/79/43/454897943.db2.gz PBRXTAQIYSIGJS-CYBMUJFWSA-N 2 2 336.395 3.155 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000150872178 454906018 /nfs/dbraw/zinc/90/60/18/454906018.db2.gz VACZYAUHQMQGLK-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@@H+]1C1CC1 ZINC000166315916 454910828 /nfs/dbraw/zinc/91/08/28/454910828.db2.gz CGALNZVALMOMKP-XAHBDIOTSA-N 2 2 339.483 3.034 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@H+]1C1CC1 ZINC000166315916 454910834 /nfs/dbraw/zinc/91/08/34/454910834.db2.gz CGALNZVALMOMKP-XAHBDIOTSA-N 2 2 339.483 3.034 20 0 EGADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000151161229 454946161 /nfs/dbraw/zinc/94/61/61/454946161.db2.gz NWABEAOQRSUQPP-OAHLLOKOSA-N 2 2 325.334 3.449 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000115546360 455019878 /nfs/dbraw/zinc/01/98/78/455019878.db2.gz SUSYJTZUNJYKBO-UHFFFAOYSA-N 2 2 344.471 3.280 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000115546360 455019880 /nfs/dbraw/zinc/01/98/80/455019880.db2.gz SUSYJTZUNJYKBO-UHFFFAOYSA-N 2 2 344.471 3.280 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000155731122 455037807 /nfs/dbraw/zinc/03/78/07/455037807.db2.gz KODOLKIFLZWCMD-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000155731122 455037812 /nfs/dbraw/zinc/03/78/12/455037812.db2.gz KODOLKIFLZWCMD-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP CCN(CC)C(=O)C1([NH2+]Cc2c[nH+]c3ccc(C)cn23)CCCCC1 ZINC000156459783 455120970 /nfs/dbraw/zinc/12/09/70/455120970.db2.gz NEANPNXOXDFCRA-UHFFFAOYSA-N 2 2 342.487 3.304 20 0 EGADLP C[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152470951 455123912 /nfs/dbraw/zinc/12/39/12/455123912.db2.gz LUFAGJDEKLDSQY-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152470951 455123917 /nfs/dbraw/zinc/12/39/17/455123917.db2.gz LUFAGJDEKLDSQY-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152470951 455123919 /nfs/dbraw/zinc/12/39/19/455123919.db2.gz LUFAGJDEKLDSQY-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152470951 455123922 /nfs/dbraw/zinc/12/39/22/455123922.db2.gz LUFAGJDEKLDSQY-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156534277 455129679 /nfs/dbraw/zinc/12/96/79/455129679.db2.gz OLKYIBWYUHIMGE-CJNGLKHVSA-N 2 2 332.835 3.058 20 0 EGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156534277 455129683 /nfs/dbraw/zinc/12/96/83/455129683.db2.gz OLKYIBWYUHIMGE-CJNGLKHVSA-N 2 2 332.835 3.058 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156553291 455131732 /nfs/dbraw/zinc/13/17/32/455131732.db2.gz QETFMXRNAIOQTH-KBXCAEBGSA-N 2 2 330.476 3.105 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156553291 455131738 /nfs/dbraw/zinc/13/17/38/455131738.db2.gz QETFMXRNAIOQTH-KBXCAEBGSA-N 2 2 330.476 3.105 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172577233 455162345 /nfs/dbraw/zinc/16/23/45/455162345.db2.gz LKENWAMJXOPAAO-GOSISDBHSA-N 2 2 330.472 3.218 20 0 EGADLP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172577233 455162348 /nfs/dbraw/zinc/16/23/48/455162348.db2.gz LKENWAMJXOPAAO-GOSISDBHSA-N 2 2 330.472 3.218 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000172583536 455163304 /nfs/dbraw/zinc/16/33/04/455163304.db2.gz ZQBPONGTPBEZQF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000172583536 455163305 /nfs/dbraw/zinc/16/33/05/455163305.db2.gz ZQBPONGTPBEZQF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000172583536 455163306 /nfs/dbraw/zinc/16/33/06/455163306.db2.gz ZQBPONGTPBEZQF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000172583536 455163307 /nfs/dbraw/zinc/16/33/07/455163307.db2.gz ZQBPONGTPBEZQF-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1)C[NH+]1CCOCC1 ZINC000157130472 455166560 /nfs/dbraw/zinc/16/65/60/455166560.db2.gz MZYNSIWSXOVIFP-IAGOWNOFSA-N 2 2 334.504 3.483 20 0 EGADLP Cc1ccc2cc(CNc3ccc(N4CC[NH+](C)CC4)c[nH+]3)ccc2n1 ZINC000189270871 455166699 /nfs/dbraw/zinc/16/66/99/455166699.db2.gz HZJFXPPJEYGUML-UHFFFAOYSA-N 2 2 347.466 3.302 20 0 EGADLP CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264841308 455290288 /nfs/dbraw/zinc/29/02/88/455290288.db2.gz DTGGVXKSSLTIJR-HNNXBMFYSA-N 2 2 327.428 3.334 20 0 EGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264841308 455290291 /nfs/dbraw/zinc/29/02/91/455290291.db2.gz DTGGVXKSSLTIJR-HNNXBMFYSA-N 2 2 327.428 3.334 20 0 EGADLP CCC[NH+]1CCN(c2ccc(NCc3c[nH+]cn3C)cc2Cl)CC1 ZINC000157374091 455188843 /nfs/dbraw/zinc/18/88/43/455188843.db2.gz IZTZFJIVYCDPIS-UHFFFAOYSA-N 2 2 347.894 3.218 20 0 EGADLP CC(C)(C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(=O)OCc1ccccc1 ZINC000180551496 455194980 /nfs/dbraw/zinc/19/49/80/455194980.db2.gz RIIDHWVOGDYYSJ-QGZVFWFLSA-N 2 2 329.444 3.021 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157552096 455207094 /nfs/dbraw/zinc/20/70/94/455207094.db2.gz LVHIZPGMVOLAPL-OAHLLOKOSA-N 2 2 336.443 3.041 20 0 EGADLP Clc1cc2cccnc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000172940133 455211408 /nfs/dbraw/zinc/21/14/08/455211408.db2.gz BGMVSOXDQXLLFY-HNNXBMFYSA-N 2 2 345.874 3.042 20 0 EGADLP Clc1cc2cccnc2c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000172940133 455211413 /nfs/dbraw/zinc/21/14/13/455211413.db2.gz BGMVSOXDQXLLFY-HNNXBMFYSA-N 2 2 345.874 3.042 20 0 EGADLP Clc1cc2cccnc2c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000172940125 455211786 /nfs/dbraw/zinc/21/17/86/455211786.db2.gz BGMVSOXDQXLLFY-OAHLLOKOSA-N 2 2 345.874 3.042 20 0 EGADLP Clc1cc2cccnc2c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000172940125 455211790 /nfs/dbraw/zinc/21/17/90/455211790.db2.gz BGMVSOXDQXLLFY-OAHLLOKOSA-N 2 2 345.874 3.042 20 0 EGADLP CC(C)OC1CC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)C1 ZINC000189538355 455216344 /nfs/dbraw/zinc/21/63/44/455216344.db2.gz IVMZMLBRDQJVII-QHGAOEGBSA-N 2 2 346.515 3.432 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188539 455278501 /nfs/dbraw/zinc/27/85/01/455278501.db2.gz KRAQWQDMWDNZRS-QGZVFWFLSA-N 3 2 335.923 3.236 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188539 455278505 /nfs/dbraw/zinc/27/85/05/455278505.db2.gz KRAQWQDMWDNZRS-QGZVFWFLSA-N 3 2 335.923 3.236 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430975 455296538 /nfs/dbraw/zinc/29/65/38/455296538.db2.gz NUQIIHDEPKKCAM-CVEARBPZSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430975 455296540 /nfs/dbraw/zinc/29/65/40/455296540.db2.gz NUQIIHDEPKKCAM-CVEARBPZSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430975 455296543 /nfs/dbraw/zinc/29/65/43/455296543.db2.gz NUQIIHDEPKKCAM-CVEARBPZSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430975 455296545 /nfs/dbraw/zinc/29/65/45/455296545.db2.gz NUQIIHDEPKKCAM-CVEARBPZSA-N 2 2 335.467 3.125 20 0 EGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183662414 455317568 /nfs/dbraw/zinc/31/75/68/455317568.db2.gz IUBXUJHDDCUNLX-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798165 455330033 /nfs/dbraw/zinc/33/00/33/455330033.db2.gz ZYUKFANLFNWBFQ-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798165 455330036 /nfs/dbraw/zinc/33/00/36/455330036.db2.gz ZYUKFANLFNWBFQ-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798165 455330041 /nfs/dbraw/zinc/33/00/41/455330041.db2.gz ZYUKFANLFNWBFQ-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798165 455330044 /nfs/dbraw/zinc/33/00/44/455330044.db2.gz ZYUKFANLFNWBFQ-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000265544925 455341623 /nfs/dbraw/zinc/34/16/23/455341623.db2.gz XMTLKVLWNYSWQE-ZDUSSCGKSA-N 2 2 330.407 3.064 20 0 EGADLP Cn1cc([C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000245935649 455402584 /nfs/dbraw/zinc/40/25/84/455402584.db2.gz JBEYWMAYBHFQRW-IPMKNSEASA-N 2 2 330.451 3.111 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000266735609 455445410 /nfs/dbraw/zinc/44/54/10/455445410.db2.gz KROCRRDTEGIFQJ-UHFFFAOYSA-N 2 2 326.444 3.153 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246440835 455490941 /nfs/dbraw/zinc/49/09/41/455490941.db2.gz NISPYSYNDAISMM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246440835 455490946 /nfs/dbraw/zinc/49/09/46/455490946.db2.gz NISPYSYNDAISMM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246440835 455490948 /nfs/dbraw/zinc/49/09/48/455490948.db2.gz NISPYSYNDAISMM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246440835 455490954 /nfs/dbraw/zinc/49/09/54/455490954.db2.gz NISPYSYNDAISMM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833352 455523739 /nfs/dbraw/zinc/52/37/39/455523739.db2.gz TXRGOSTXUUQPBN-MOPGFXCFSA-N 2 2 346.515 3.213 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833352 455523745 /nfs/dbraw/zinc/52/37/45/455523745.db2.gz TXRGOSTXUUQPBN-MOPGFXCFSA-N 2 2 346.515 3.213 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000182668470 455565012 /nfs/dbraw/zinc/56/50/12/455565012.db2.gz HNELRKJYQBZAHN-UHFFFAOYSA-N 2 2 329.444 3.129 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000182668470 455565019 /nfs/dbraw/zinc/56/50/19/455565019.db2.gz HNELRKJYQBZAHN-UHFFFAOYSA-N 2 2 329.444 3.129 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000182699109 455571174 /nfs/dbraw/zinc/57/11/74/455571174.db2.gz HRXULKUUOPCHLP-HOTGVXAUSA-N 2 2 340.254 3.170 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000182699109 455571176 /nfs/dbraw/zinc/57/11/76/455571176.db2.gz HRXULKUUOPCHLP-HOTGVXAUSA-N 2 2 340.254 3.170 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000247338937 455590324 /nfs/dbraw/zinc/59/03/24/455590324.db2.gz FZOVKKSIAJCDTK-WMZOPIPTSA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000247338937 455590326 /nfs/dbraw/zinc/59/03/26/455590326.db2.gz FZOVKKSIAJCDTK-WMZOPIPTSA-N 2 2 331.504 3.240 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247439564 455600579 /nfs/dbraw/zinc/60/05/79/455600579.db2.gz ISCFOIMGFQQAPQ-CPUCHLNUSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247439564 455600586 /nfs/dbraw/zinc/60/05/86/455600586.db2.gz ISCFOIMGFQQAPQ-CPUCHLNUSA-N 2 2 346.862 3.447 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247452057 455603064 /nfs/dbraw/zinc/60/30/64/455603064.db2.gz HNMHATSFPOCASC-QZTJIDSGSA-N 2 2 331.504 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247452057 455603068 /nfs/dbraw/zinc/60/30/68/455603068.db2.gz HNMHATSFPOCASC-QZTJIDSGSA-N 2 2 331.504 3.092 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993265 455620149 /nfs/dbraw/zinc/62/01/49/455620149.db2.gz HLBJOGQFJJCMSE-ZWKOTPCHSA-N 2 2 345.487 3.114 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993265 455620154 /nfs/dbraw/zinc/62/01/54/455620154.db2.gz HLBJOGQFJJCMSE-ZWKOTPCHSA-N 2 2 345.487 3.114 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000247600419 455629673 /nfs/dbraw/zinc/62/96/73/455629673.db2.gz KWUBHCQLJZERPW-BRSBDYLESA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000247600419 455629679 /nfs/dbraw/zinc/62/96/79/455629679.db2.gz KWUBHCQLJZERPW-BRSBDYLESA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCn1cc[nH+]c1 ZINC000292323835 455629938 /nfs/dbraw/zinc/62/99/38/455629938.db2.gz VYNMIVQCQWZUHV-CJNGLKHVSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCn1cc[nH+]c1 ZINC000292323835 455629940 /nfs/dbraw/zinc/62/99/40/455629940.db2.gz VYNMIVQCQWZUHV-CJNGLKHVSA-N 2 2 339.361 3.364 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)no1 ZINC000284214211 455652354 /nfs/dbraw/zinc/65/23/54/455652354.db2.gz SVFQCVCRIISBHJ-SFHVURJKSA-N 2 2 342.487 3.154 20 0 EGADLP Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247972830 455663123 /nfs/dbraw/zinc/66/31/23/455663123.db2.gz JUAXHKHJUAQGAV-WIYYLYMNSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247972830 455663127 /nfs/dbraw/zinc/66/31/27/455663127.db2.gz JUAXHKHJUAQGAV-WIYYLYMNSA-N 2 2 339.483 3.269 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000248059016 455675450 /nfs/dbraw/zinc/67/54/50/455675450.db2.gz XYMLEIZBVZFBHY-RBSFLKMASA-N 2 2 342.430 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000248198277 455696714 /nfs/dbraw/zinc/69/67/14/455696714.db2.gz XUMWZRNWIMTDIQ-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000248198277 455696718 /nfs/dbraw/zinc/69/67/18/455696718.db2.gz XUMWZRNWIMTDIQ-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000248198277 455696722 /nfs/dbraw/zinc/69/67/22/455696722.db2.gz XUMWZRNWIMTDIQ-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000248198277 455696728 /nfs/dbraw/zinc/69/67/28/455696728.db2.gz XUMWZRNWIMTDIQ-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775878 455712592 /nfs/dbraw/zinc/71/25/92/455712592.db2.gz VTUWREHBNUHQLY-YLJYHZDGSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775878 455712598 /nfs/dbraw/zinc/71/25/98/455712598.db2.gz VTUWREHBNUHQLY-YLJYHZDGSA-N 3 2 327.516 3.256 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268911002 455727043 /nfs/dbraw/zinc/72/70/43/455727043.db2.gz MUZSRPRATWWUPH-WMLDXEAASA-N 2 2 344.528 3.015 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268911002 455727048 /nfs/dbraw/zinc/72/70/48/455727048.db2.gz MUZSRPRATWWUPH-WMLDXEAASA-N 2 2 344.528 3.015 20 0 EGADLP CC(C)c1nc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)no1 ZINC000271717313 455732906 /nfs/dbraw/zinc/73/29/06/455732906.db2.gz IWGYOSXKDWOESD-UHFFFAOYSA-N 2 2 325.416 3.220 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1csc(COc2ccccc2)n1 ZINC000271732669 455737887 /nfs/dbraw/zinc/73/78/87/455737887.db2.gz UKAWRSZUSHTFBV-UHFFFAOYSA-N 2 2 342.468 3.441 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1csc(COc2ccccc2)n1 ZINC000271732669 455737896 /nfs/dbraw/zinc/73/78/96/455737896.db2.gz UKAWRSZUSHTFBV-UHFFFAOYSA-N 2 2 342.468 3.441 20 0 EGADLP C[NH+](C)CCCC1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632228661 460689531 /nfs/dbraw/zinc/68/95/31/460689531.db2.gz GZUGLBRECZZDHT-UHFFFAOYSA-N 2 2 340.471 3.271 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccs1 ZINC000268949052 455740740 /nfs/dbraw/zinc/74/07/40/455740740.db2.gz BSNLAVRMEBGDIH-JQHSSLGASA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccs1 ZINC000268949052 455740742 /nfs/dbraw/zinc/74/07/42/455740742.db2.gz BSNLAVRMEBGDIH-JQHSSLGASA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2Br)CCCO1 ZINC000278051995 455745210 /nfs/dbraw/zinc/74/52/10/455745210.db2.gz YDNTYADEELINJG-AWEZNQCLSA-N 2 2 341.293 3.040 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2Br)CCCO1 ZINC000278051995 455745213 /nfs/dbraw/zinc/74/52/13/455745213.db2.gz YDNTYADEELINJG-AWEZNQCLSA-N 2 2 341.293 3.040 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000271791708 455761831 /nfs/dbraw/zinc/76/18/31/455761831.db2.gz JBDBMRGETWDMQV-VQTJNVASSA-N 2 2 344.499 3.330 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827346 455776937 /nfs/dbraw/zinc/77/69/37/455776937.db2.gz DIUZWYXULDNPSZ-DOMZBBRYSA-N 2 2 349.862 3.077 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827346 455776940 /nfs/dbraw/zinc/77/69/40/455776940.db2.gz DIUZWYXULDNPSZ-DOMZBBRYSA-N 2 2 349.862 3.077 20 0 EGADLP c1csc([C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000193937929 455787397 /nfs/dbraw/zinc/78/73/97/455787397.db2.gz DGRFQHYYJUKMFZ-XYVMCAHJSA-N 2 2 332.513 3.432 20 0 EGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000250781249 455789050 /nfs/dbraw/zinc/78/90/50/455789050.db2.gz IJVKLPGLHZUCBC-OLZOCXBDSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Br ZINC000250781249 455789056 /nfs/dbraw/zinc/78/90/56/455789056.db2.gz IJVKLPGLHZUCBC-OLZOCXBDSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCSCC1 ZINC000186969562 455857791 /nfs/dbraw/zinc/85/77/91/455857791.db2.gz BRDCZAWQXCWJDY-SFHVURJKSA-N 2 2 347.572 3.320 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285507341 455860335 /nfs/dbraw/zinc/86/03/35/455860335.db2.gz NFUIPOZXBACLCD-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285507341 455860339 /nfs/dbraw/zinc/86/03/39/455860339.db2.gz NFUIPOZXBACLCD-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285507341 455860342 /nfs/dbraw/zinc/86/03/42/455860342.db2.gz NFUIPOZXBACLCD-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285507341 455860345 /nfs/dbraw/zinc/86/03/45/455860345.db2.gz NFUIPOZXBACLCD-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cn1 ZINC000272210093 455878339 /nfs/dbraw/zinc/87/83/39/455878339.db2.gz KKIOJGOJPICCOK-CQSZACIVSA-N 2 2 343.450 3.319 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251438 455892630 /nfs/dbraw/zinc/89/26/30/455892630.db2.gz CCDHTKWMZBOXRB-FUHWJXTLSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251438 455892632 /nfs/dbraw/zinc/89/26/32/455892632.db2.gz CCDHTKWMZBOXRB-FUHWJXTLSA-N 2 2 338.455 3.422 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285727001 455905274 /nfs/dbraw/zinc/90/52/74/455905274.db2.gz XGYUZTDCOUFUEL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285727001 455905278 /nfs/dbraw/zinc/90/52/78/455905278.db2.gz XGYUZTDCOUFUEL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285727001 455905280 /nfs/dbraw/zinc/90/52/80/455905280.db2.gz XGYUZTDCOUFUEL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285727001 455905284 /nfs/dbraw/zinc/90/52/84/455905284.db2.gz XGYUZTDCOUFUEL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744850 455908092 /nfs/dbraw/zinc/90/80/92/455908092.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744850 455908097 /nfs/dbraw/zinc/90/80/97/455908097.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744850 455908101 /nfs/dbraw/zinc/90/81/01/455908101.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744850 455908105 /nfs/dbraw/zinc/90/81/05/455908105.db2.gz YJDHPMPJUXZBRN-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP COc1cc(C)[nH+]c(CN(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000270236560 455909234 /nfs/dbraw/zinc/90/92/34/455909234.db2.gz HDWGIJWBAVDAPA-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000194996576 455910693 /nfs/dbraw/zinc/91/06/93/455910693.db2.gz SBCZHMJJRVEGPN-JZXOWHBKSA-N 2 2 341.503 3.240 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000194996576 455910701 /nfs/dbraw/zinc/91/07/01/455910701.db2.gz SBCZHMJJRVEGPN-JZXOWHBKSA-N 2 2 341.503 3.240 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261755571 455942635 /nfs/dbraw/zinc/94/26/35/455942635.db2.gz UJXLIGSLBUZYIS-WBMJQRKESA-N 2 2 346.272 3.181 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261755571 455942641 /nfs/dbraw/zinc/94/26/41/455942641.db2.gz UJXLIGSLBUZYIS-WBMJQRKESA-N 2 2 346.272 3.181 20 0 EGADLP C[NH+](C)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000195307318 455943965 /nfs/dbraw/zinc/94/39/65/455943965.db2.gz WQMLPNNOZDJBMT-SFHVURJKSA-N 2 2 338.386 3.253 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000261878592 455963231 /nfs/dbraw/zinc/96/32/31/455963231.db2.gz QMDULHHFUAGDTC-ZBFHGGJFSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N)s2)CC[N@H+]1Cc1ccccc1 ZINC000261878592 455963238 /nfs/dbraw/zinc/96/32/38/455963238.db2.gz QMDULHHFUAGDTC-ZBFHGGJFSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878592 455963241 /nfs/dbraw/zinc/96/32/41/455963241.db2.gz QMDULHHFUAGDTC-ZBFHGGJFSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878592 455963245 /nfs/dbraw/zinc/96/32/45/455963245.db2.gz QMDULHHFUAGDTC-ZBFHGGJFSA-N 2 2 330.501 3.210 20 0 EGADLP Cc1ccnc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000286075450 455972573 /nfs/dbraw/zinc/97/25/73/455972573.db2.gz LFVYTNZTYILQFY-NVXWUHKLSA-N 2 2 325.460 3.098 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000272513037 455978412 /nfs/dbraw/zinc/97/84/12/455978412.db2.gz GQQWVIQHDFADRF-BLLLJJGKSA-N 2 2 348.384 3.254 20 0 EGADLP C[C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H]1C[NH3+] ZINC000261974185 455980547 /nfs/dbraw/zinc/98/05/47/455980547.db2.gz QMLSQLUBQUSFEI-RISCZKNCSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H]1C[NH3+] ZINC000261974185 455980551 /nfs/dbraw/zinc/98/05/51/455980551.db2.gz QMLSQLUBQUSFEI-RISCZKNCSA-N 2 2 344.286 3.381 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000270551585 455980959 /nfs/dbraw/zinc/98/09/59/455980959.db2.gz BLBJSWGCERCQPD-XLIONFOSSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000270551585 455980964 /nfs/dbraw/zinc/98/09/64/455980964.db2.gz BLBJSWGCERCQPD-XLIONFOSSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000270551585 455980969 /nfs/dbraw/zinc/98/09/69/455980969.db2.gz BLBJSWGCERCQPD-XLIONFOSSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000270551585 455980973 /nfs/dbraw/zinc/98/09/73/455980973.db2.gz BLBJSWGCERCQPD-XLIONFOSSA-N 3 2 326.488 3.176 20 0 EGADLP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000296608325 455987245 /nfs/dbraw/zinc/98/72/45/455987245.db2.gz WXEUAJOFXXXZRU-OAHLLOKOSA-N 2 2 341.459 3.035 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC000262032156 455987466 /nfs/dbraw/zinc/98/74/66/455987466.db2.gz XFRCZEQXUUGOCD-LEWJYISDSA-N 2 2 346.478 3.322 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC000262032156 455987473 /nfs/dbraw/zinc/98/74/73/455987473.db2.gz XFRCZEQXUUGOCD-LEWJYISDSA-N 2 2 346.478 3.322 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000296838024 456049953 /nfs/dbraw/zinc/04/99/53/456049953.db2.gz XAINYBURYOTEDS-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1Cl ZINC000296838024 456049958 /nfs/dbraw/zinc/04/99/58/456049958.db2.gz XAINYBURYOTEDS-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1Cl ZINC000296838024 456049962 /nfs/dbraw/zinc/04/99/62/456049962.db2.gz XAINYBURYOTEDS-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1Cl ZINC000296838024 456049965 /nfs/dbraw/zinc/04/99/65/456049965.db2.gz XAINYBURYOTEDS-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP OC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1C(F)(F)F ZINC000280823515 456060139 /nfs/dbraw/zinc/06/01/39/456060139.db2.gz VBAQOSAGXVOGLL-AWEZNQCLSA-N 2 2 347.768 3.269 20 0 EGADLP Cn1nc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000301296096 456084433 /nfs/dbraw/zinc/08/44/33/456084433.db2.gz PPRNXWURVPZWLU-UHFFFAOYSA-N 2 2 334.467 3.328 20 0 EGADLP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000270982104 456086761 /nfs/dbraw/zinc/08/67/61/456086761.db2.gz RYUMRMMUGPFHKY-UHFFFAOYSA-N 2 2 342.487 3.205 20 0 EGADLP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000270982104 456086763 /nfs/dbraw/zinc/08/67/63/456086763.db2.gz RYUMRMMUGPFHKY-UHFFFAOYSA-N 2 2 342.487 3.205 20 0 EGADLP Cc1[nH+]cc(CN(C)C2CC[NH+](C(C)C)CC2)n1-c1ccccc1 ZINC000271035647 456106440 /nfs/dbraw/zinc/10/64/40/456106440.db2.gz JJCKKJRRPKJBTH-UHFFFAOYSA-N 2 2 326.488 3.485 20 0 EGADLP Cc1ncc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)n1-c1ccccc1 ZINC000271035647 456106443 /nfs/dbraw/zinc/10/64/43/456106443.db2.gz JJCKKJRRPKJBTH-UHFFFAOYSA-N 2 2 326.488 3.485 20 0 EGADLP Cc1ncc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)n1-c1ccccc1 ZINC000271035647 456106446 /nfs/dbraw/zinc/10/64/46/456106446.db2.gz JJCKKJRRPKJBTH-UHFFFAOYSA-N 2 2 326.488 3.485 20 0 EGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000289940884 456189252 /nfs/dbraw/zinc/18/92/52/456189252.db2.gz LMRRROJITHAJHN-DLBZAZTESA-N 2 2 338.455 3.213 20 0 EGADLP COCc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000297335138 456190375 /nfs/dbraw/zinc/19/03/75/456190375.db2.gz DTBUFARUJZUHFA-GOSISDBHSA-N 2 2 343.471 3.213 20 0 EGADLP COCc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000297335138 456190379 /nfs/dbraw/zinc/19/03/79/456190379.db2.gz DTBUFARUJZUHFA-GOSISDBHSA-N 2 2 343.471 3.213 20 0 EGADLP CCc1nnc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000273168373 456199712 /nfs/dbraw/zinc/19/97/12/456199712.db2.gz OOGRQIAGSSQFMX-LBPRGKRZSA-N 2 2 327.457 3.445 20 0 EGADLP CCc1nnc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000273168372 456199876 /nfs/dbraw/zinc/19/98/76/456199876.db2.gz OOGRQIAGSSQFMX-GFCCVEGCSA-N 2 2 327.457 3.445 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000271278098 456202485 /nfs/dbraw/zinc/20/24/85/456202485.db2.gz LKCOQBQKQUHAIZ-RDTXWAMCSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000271278098 456202489 /nfs/dbraw/zinc/20/24/89/456202489.db2.gz LKCOQBQKQUHAIZ-RDTXWAMCSA-N 2 2 344.890 3.436 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000236949939 456207347 /nfs/dbraw/zinc/20/73/47/456207347.db2.gz RTODSIHVYVSWDS-KRWDZBQOSA-N 2 2 326.444 3.431 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281384025 456219034 /nfs/dbraw/zinc/21/90/34/456219034.db2.gz PHBNSRPXPGXFRN-ZDUSSCGKSA-N 2 2 341.858 3.224 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281384025 456219038 /nfs/dbraw/zinc/21/90/38/456219038.db2.gz PHBNSRPXPGXFRN-ZDUSSCGKSA-N 2 2 341.858 3.224 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000297513833 456239852 /nfs/dbraw/zinc/23/98/52/456239852.db2.gz CSFFMGWTAKCZHC-MJGOQNOKSA-N 2 2 326.488 3.118 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000297513833 456239856 /nfs/dbraw/zinc/23/98/56/456239856.db2.gz CSFFMGWTAKCZHC-MJGOQNOKSA-N 2 2 326.488 3.118 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760525 456281819 /nfs/dbraw/zinc/28/18/19/456281819.db2.gz PWEWHKMWOQMMHC-DOTOQJQBSA-N 2 2 344.528 3.130 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760525 456281826 /nfs/dbraw/zinc/28/18/26/456281826.db2.gz PWEWHKMWOQMMHC-DOTOQJQBSA-N 2 2 344.528 3.130 20 0 EGADLP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760525 456281831 /nfs/dbraw/zinc/28/18/31/456281831.db2.gz PWEWHKMWOQMMHC-DOTOQJQBSA-N 2 2 344.528 3.130 20 0 EGADLP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1Cl ZINC000352760191 456282198 /nfs/dbraw/zinc/28/21/98/456282198.db2.gz ACXOOLWEBBNRJA-LBPRGKRZSA-N 2 2 339.892 3.415 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352765430 456286724 /nfs/dbraw/zinc/28/67/24/456286724.db2.gz KKJPTPWQRNCFSF-RDJZCZTQSA-N 3 2 338.565 3.195 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352767756 456289167 /nfs/dbraw/zinc/28/91/67/456289167.db2.gz CZFVKVLUDVUHAK-HZPDHXFCSA-N 3 2 338.565 3.052 20 0 EGADLP COc1cccc(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)c1 ZINC000347675308 456298295 /nfs/dbraw/zinc/29/82/95/456298295.db2.gz OHFBRVBBGPUEOZ-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1 ZINC000340204640 456313696 /nfs/dbraw/zinc/31/36/96/456313696.db2.gz YFCHOCLILCQHCC-CTNGQTDRSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H]1c1ccccc1 ZINC000340204640 456313702 /nfs/dbraw/zinc/31/37/02/456313702.db2.gz YFCHOCLILCQHCC-CTNGQTDRSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985463 456338603 /nfs/dbraw/zinc/33/86/03/456338603.db2.gz YJDYEDVXNHGPEL-WMZOPIPTSA-N 2 2 340.471 3.014 20 0 EGADLP C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985463 456338610 /nfs/dbraw/zinc/33/86/10/456338610.db2.gz YJDYEDVXNHGPEL-WMZOPIPTSA-N 2 2 340.471 3.014 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744141 456344011 /nfs/dbraw/zinc/34/40/11/456344011.db2.gz RJQQORZSXRWWCV-WIYYLYMNSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744141 456344015 /nfs/dbraw/zinc/34/40/15/456344015.db2.gz RJQQORZSXRWWCV-WIYYLYMNSA-N 3 2 329.532 3.348 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501766 456346467 /nfs/dbraw/zinc/34/64/67/456346467.db2.gz PFNKTTUYAKAGHE-KSSFIOAISA-N 2 2 332.879 3.298 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501766 456346472 /nfs/dbraw/zinc/34/64/72/456346472.db2.gz PFNKTTUYAKAGHE-KSSFIOAISA-N 2 2 332.879 3.298 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501766 456346477 /nfs/dbraw/zinc/34/64/77/456346477.db2.gz PFNKTTUYAKAGHE-KSSFIOAISA-N 2 2 332.879 3.298 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501766 456346481 /nfs/dbraw/zinc/34/64/81/456346481.db2.gz PFNKTTUYAKAGHE-KSSFIOAISA-N 2 2 332.879 3.298 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2cccc(Cl)c2)s1 ZINC000352830739 456346670 /nfs/dbraw/zinc/34/66/70/456346670.db2.gz VDOQWZPFGUGPJP-UHFFFAOYSA-N 2 2 325.865 3.027 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cscc2C(F)(F)F)C[C@H](C)O1 ZINC000352834033 456348334 /nfs/dbraw/zinc/34/83/34/456348334.db2.gz JYODBZVVRVBSGX-RYUDHWBXSA-N 2 2 336.423 3.356 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310691 456377887 /nfs/dbraw/zinc/37/78/87/456377887.db2.gz RPJWADBXYPEXGH-LAUBAEHRSA-N 2 2 340.515 3.470 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310691 456377893 /nfs/dbraw/zinc/37/78/93/456377893.db2.gz RPJWADBXYPEXGH-LAUBAEHRSA-N 2 2 340.515 3.470 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]C3CC(C)(c4ccccc4)C3)CC2)CC1 ZINC000298245341 456401891 /nfs/dbraw/zinc/40/18/91/456401891.db2.gz CXYFQJCEAPGBOM-UHFFFAOYSA-N 3 2 341.543 3.255 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000276174158 456405165 /nfs/dbraw/zinc/40/51/65/456405165.db2.gz FVXAQCSRKJEELB-IGOJGBNBSA-N 2 2 327.447 3.467 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000276174158 456405169 /nfs/dbraw/zinc/40/51/69/456405169.db2.gz FVXAQCSRKJEELB-IGOJGBNBSA-N 2 2 327.447 3.467 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302862136 456418426 /nfs/dbraw/zinc/41/84/26/456418426.db2.gz VXAVOPLTMJSMQZ-SJLPKXTDSA-N 2 2 337.471 3.009 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1C ZINC000282130786 456419562 /nfs/dbraw/zinc/41/95/62/456419562.db2.gz KCAVXULMKYVMAS-JKSUJKDBSA-N 2 2 332.517 3.353 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1C ZINC000282130786 456419572 /nfs/dbraw/zinc/41/95/72/456419572.db2.gz KCAVXULMKYVMAS-JKSUJKDBSA-N 2 2 332.517 3.353 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375982 456423577 /nfs/dbraw/zinc/42/35/77/456423577.db2.gz VCDCETLULIVDLA-WCHWRFHJSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@@H]1c1ccccc1 ZINC000340375982 456423581 /nfs/dbraw/zinc/42/35/81/456423581.db2.gz VCDCETLULIVDLA-WCHWRFHJSA-N 3 2 327.516 3.428 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340386591 456430671 /nfs/dbraw/zinc/43/06/71/456430671.db2.gz DLMVNUSNVZGQPH-YLJYHZDGSA-N 2 2 339.483 3.275 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340386591 456430679 /nfs/dbraw/zinc/43/06/79/456430679.db2.gz DLMVNUSNVZGQPH-YLJYHZDGSA-N 2 2 339.483 3.275 20 0 EGADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000302915320 456436201 /nfs/dbraw/zinc/43/62/01/456436201.db2.gz VOLUOEWDWVROJS-AEFFLSMTSA-N 2 2 337.471 3.152 20 0 EGADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000302915320 456436203 /nfs/dbraw/zinc/43/62/03/456436203.db2.gz VOLUOEWDWVROJS-AEFFLSMTSA-N 2 2 337.471 3.152 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156295 456439724 /nfs/dbraw/zinc/43/97/24/456439724.db2.gz BAAFLXOAMZMJTP-XJKSGUPXSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156295 456439726 /nfs/dbraw/zinc/43/97/26/456439726.db2.gz BAAFLXOAMZMJTP-XJKSGUPXSA-N 2 2 330.394 3.195 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847796 456445103 /nfs/dbraw/zinc/44/51/03/456445103.db2.gz ZGFVKQXVHMMVSQ-CRAIPNDOSA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccc(Cl)c1 ZINC000290847796 456445110 /nfs/dbraw/zinc/44/51/10/456445110.db2.gz ZGFVKQXVHMMVSQ-CRAIPNDOSA-N 2 2 340.895 3.118 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455251 456469922 /nfs/dbraw/zinc/46/99/22/456469922.db2.gz LEKMOOBCJMGEBR-QWQRMKEZSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455251 456469926 /nfs/dbraw/zinc/46/99/26/456469926.db2.gz LEKMOOBCJMGEBR-QWQRMKEZSA-N 2 2 328.435 3.145 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)CCn1cc[nH+]c1)c1ccccc1Cl ZINC000298805513 456543770 /nfs/dbraw/zinc/54/37/70/456543770.db2.gz NPQWTBFUBSVELO-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000340583210 456545505 /nfs/dbraw/zinc/54/55/05/456545505.db2.gz JVYYTGHBTKLALV-INIZCTEOSA-N 2 2 343.298 3.417 20 0 EGADLP c1ccc([C@@H]2OCC[C@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000343350835 456551783 /nfs/dbraw/zinc/55/17/83/456551783.db2.gz UKOASFNILUVNNS-RXVVDRJESA-N 2 2 337.467 3.418 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000298893836 456563997 /nfs/dbraw/zinc/56/39/97/456563997.db2.gz LOSSFEXXXVIREO-CHWSQXEVSA-N 2 2 346.500 3.140 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000298893836 456564001 /nfs/dbraw/zinc/56/40/01/456564001.db2.gz LOSSFEXXXVIREO-CHWSQXEVSA-N 2 2 346.500 3.140 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261598 456579203 /nfs/dbraw/zinc/57/92/03/456579203.db2.gz HAHNNOBXJDHNRN-UXHICEINSA-N 2 2 337.467 3.440 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261598 456579209 /nfs/dbraw/zinc/57/92/09/456579209.db2.gz HAHNNOBXJDHNRN-UXHICEINSA-N 2 2 337.467 3.440 20 0 EGADLP c1ccc([C@H]2C[C@@H]2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000348264221 456581782 /nfs/dbraw/zinc/58/17/82/456581782.db2.gz MZVQORYAUYCKLQ-FGZHOGPDSA-N 2 2 336.479 3.412 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)sc1Br ZINC000353247609 456584105 /nfs/dbraw/zinc/58/41/05/456584105.db2.gz JOAYWUKAXFCDDD-VIFPVBQESA-N 2 2 326.263 3.189 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)sc1Br ZINC000353247609 456584114 /nfs/dbraw/zinc/58/41/14/456584114.db2.gz JOAYWUKAXFCDDD-VIFPVBQESA-N 2 2 326.263 3.189 20 0 EGADLP Cc1cnc(C[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348304519 456608821 /nfs/dbraw/zinc/60/88/21/456608821.db2.gz TXQCDLQTZUXVEU-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1cnc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348304519 456608825 /nfs/dbraw/zinc/60/88/25/456608825.db2.gz TXQCDLQTZUXVEU-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1cccc2nc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cn21 ZINC000348318796 456619476 /nfs/dbraw/zinc/61/94/76/456619476.db2.gz BHAIIARNJYPDAP-WOJBJXKFSA-N 2 2 346.478 3.207 20 0 EGADLP COCC[C@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000282777091 456621487 /nfs/dbraw/zinc/62/14/87/456621487.db2.gz PHSOORSUSJXGKD-VQIMIIECSA-N 2 2 346.519 3.229 20 0 EGADLP C[C@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276932104 456623641 /nfs/dbraw/zinc/62/36/41/456623641.db2.gz OKCZWEVHNNGFPM-HZSPNIEDSA-N 2 2 325.416 3.242 20 0 EGADLP C[C@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276932104 456623646 /nfs/dbraw/zinc/62/36/46/456623646.db2.gz OKCZWEVHNNGFPM-HZSPNIEDSA-N 2 2 325.416 3.242 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(F)(c3cccnc3)CC2)s1 ZINC000348360747 456647971 /nfs/dbraw/zinc/64/79/71/456647971.db2.gz QRNJNKHMJZIKPN-UHFFFAOYSA-N 2 2 334.464 3.061 20 0 EGADLP CC(C)[NH+](CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000340842090 456711849 /nfs/dbraw/zinc/71/18/49/456711849.db2.gz USRQYMXYHIQMKU-GOSISDBHSA-N 2 2 342.487 3.167 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc2c(c1)OCC(=O)N2 ZINC000353497482 456716483 /nfs/dbraw/zinc/71/64/83/456716483.db2.gz OTFCSRDPGBCOBD-CQSZACIVSA-N 2 2 348.406 3.054 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524225 456735753 /nfs/dbraw/zinc/73/57/53/456735753.db2.gz FZSCFMOQVIMADK-HKUYNNGSSA-N 2 2 340.471 3.103 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524225 456735758 /nfs/dbraw/zinc/73/57/58/456735758.db2.gz FZSCFMOQVIMADK-HKUYNNGSSA-N 2 2 340.471 3.103 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000348537841 456746458 /nfs/dbraw/zinc/74/64/58/456746458.db2.gz YUFCICJIIXDAOJ-GFCCVEGCSA-N 2 2 329.379 3.040 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274940 456754696 /nfs/dbraw/zinc/75/46/96/456754696.db2.gz RXPCMTPQTKHRCL-CJNGLKHVSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000277274940 456754703 /nfs/dbraw/zinc/75/47/03/456754703.db2.gz RXPCMTPQTKHRCL-CJNGLKHVSA-N 2 2 331.287 3.443 20 0 EGADLP COc1ccc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301056364 456785959 /nfs/dbraw/zinc/78/59/59/456785959.db2.gz AKTPDEOGOYSAHW-UHFFFAOYSA-N 2 2 336.439 3.284 20 0 EGADLP COc1ccc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301056364 456785976 /nfs/dbraw/zinc/78/59/76/456785976.db2.gz AKTPDEOGOYSAHW-UHFFFAOYSA-N 2 2 336.439 3.284 20 0 EGADLP Fc1ccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301062289 456787566 /nfs/dbraw/zinc/78/75/66/456787566.db2.gz GSEQTFUDQYBKDG-GOSISDBHSA-N 2 2 340.402 3.187 20 0 EGADLP Clc1ccccc1N1CC[NH+](CCCNc2cccc[nH+]2)CC1 ZINC000301103490 456796489 /nfs/dbraw/zinc/79/64/89/456796489.db2.gz ITPMAOQFOMVGSG-UHFFFAOYSA-N 2 2 330.863 3.359 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000344218558 456808062 /nfs/dbraw/zinc/80/80/62/456808062.db2.gz LYJYPSIWKKUQRP-AWEZNQCLSA-N 2 2 329.444 3.391 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1C ZINC000341010553 456809046 /nfs/dbraw/zinc/80/90/46/456809046.db2.gz MLPJGQVYZBQEPW-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[NH+]2CCCCCC2)n1C ZINC000341010553 456809056 /nfs/dbraw/zinc/80/90/56/456809056.db2.gz MLPJGQVYZBQEPW-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP c1coc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCCC2)c1 ZINC000301195993 456819861 /nfs/dbraw/zinc/81/98/61/456819861.db2.gz ZBOZFLHWOCKYTB-MRXNPFEDSA-N 2 2 341.459 3.309 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(CN3CCCCC3=O)CC2)c[nH+]1 ZINC000353645114 456825117 /nfs/dbraw/zinc/82/51/17/456825117.db2.gz BBGAMLWGNWFRKN-UHFFFAOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC000292070857 456846806 /nfs/dbraw/zinc/84/68/06/456846806.db2.gz DPCMBIAQYDNOHO-HNAYVOBHSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC000292070857 456846808 /nfs/dbraw/zinc/84/68/08/456846808.db2.gz DPCMBIAQYDNOHO-HNAYVOBHSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000292070857 456846810 /nfs/dbraw/zinc/84/68/10/456846810.db2.gz DPCMBIAQYDNOHO-HNAYVOBHSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292070857 456846815 /nfs/dbraw/zinc/84/68/15/456846815.db2.gz DPCMBIAQYDNOHO-HNAYVOBHSA-N 2 2 326.444 3.134 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000338686319 456851826 /nfs/dbraw/zinc/85/18/26/456851826.db2.gz FTIIQGVBKCZSAY-KFKAGJAMSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000338686319 456851831 /nfs/dbraw/zinc/85/18/31/456851831.db2.gz FTIIQGVBKCZSAY-KFKAGJAMSA-N 2 2 330.472 3.242 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752089 456890272 /nfs/dbraw/zinc/89/02/72/456890272.db2.gz ZWTRDRUSUCXPFK-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752089 456890277 /nfs/dbraw/zinc/89/02/77/456890277.db2.gz ZWTRDRUSUCXPFK-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752089 456890280 /nfs/dbraw/zinc/89/02/80/456890280.db2.gz ZWTRDRUSUCXPFK-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752089 456890284 /nfs/dbraw/zinc/89/02/84/456890284.db2.gz ZWTRDRUSUCXPFK-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP Cc1ccc(CCC[NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)cn1 ZINC000353793941 456908665 /nfs/dbraw/zinc/90/86/65/456908665.db2.gz RLXBYZMPQFWPMN-UHFFFAOYSA-N 2 2 338.499 3.495 20 0 EGADLP C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349334285 456945895 /nfs/dbraw/zinc/94/58/95/456945895.db2.gz SPONFHQRVXQMCU-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349334285 456945897 /nfs/dbraw/zinc/94/58/97/456945897.db2.gz SPONFHQRVXQMCU-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886344 456987077 /nfs/dbraw/zinc/98/70/77/456987077.db2.gz WBZCHTASWNXJSS-AWEZNQCLSA-N 2 2 327.394 3.264 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886344 456987079 /nfs/dbraw/zinc/98/70/79/456987079.db2.gz WBZCHTASWNXJSS-AWEZNQCLSA-N 2 2 327.394 3.264 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886344 456987083 /nfs/dbraw/zinc/98/70/83/456987083.db2.gz WBZCHTASWNXJSS-AWEZNQCLSA-N 2 2 327.394 3.264 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341886344 456987087 /nfs/dbraw/zinc/98/70/87/456987087.db2.gz WBZCHTASWNXJSS-AWEZNQCLSA-N 2 2 327.394 3.264 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000349698628 457019821 /nfs/dbraw/zinc/01/98/21/457019821.db2.gz ZBIDPYWRVCCBGU-OAHLLOKOSA-N 2 2 346.434 3.009 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354040648 457026978 /nfs/dbraw/zinc/02/69/78/457026978.db2.gz ZFSDXOSYQXUDSF-LJQANCHMSA-N 2 2 337.552 3.079 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354040648 457026983 /nfs/dbraw/zinc/02/69/83/457026983.db2.gz ZFSDXOSYQXUDSF-LJQANCHMSA-N 2 2 337.552 3.079 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000354045468 457030768 /nfs/dbraw/zinc/03/07/68/457030768.db2.gz UPIKOTIYFLOUQZ-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356525463 457036579 /nfs/dbraw/zinc/03/65/79/457036579.db2.gz MHRUFOZJFKHGAU-XLIONFOSSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356525463 457036585 /nfs/dbraw/zinc/03/65/85/457036585.db2.gz MHRUFOZJFKHGAU-XLIONFOSSA-N 2 2 339.483 3.133 20 0 EGADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354127303 457081790 /nfs/dbraw/zinc/08/17/90/457081790.db2.gz OAPFFJQWEOEXRV-MOPGFXCFSA-N 2 2 340.471 3.094 20 0 EGADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354127303 457081792 /nfs/dbraw/zinc/08/17/92/457081792.db2.gz OAPFFJQWEOEXRV-MOPGFXCFSA-N 2 2 340.471 3.094 20 0 EGADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000354134304 457086904 /nfs/dbraw/zinc/08/69/04/457086904.db2.gz RDGQSTDFVXGGEE-IBGZPJMESA-N 2 2 329.532 3.363 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521632 457090561 /nfs/dbraw/zinc/09/05/61/457090561.db2.gz DLTZYQMKNJISLV-UXHICEINSA-N 2 2 334.504 3.483 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521632 457090568 /nfs/dbraw/zinc/09/05/68/457090568.db2.gz DLTZYQMKNJISLV-UXHICEINSA-N 2 2 334.504 3.483 20 0 EGADLP Cc1ncsc1C[N@H+](CCCc1ccc(C)[nH+]c1)C[C@@H]1CC[NH2+]C1 ZINC000339405744 457095578 /nfs/dbraw/zinc/09/55/78/457095578.db2.gz CKXBHMJSCKJOBV-GOSISDBHSA-N 3 2 344.528 3.199 20 0 EGADLP Cc1ncsc1C[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@@H]1CC[NH2+]C1 ZINC000339405744 457095584 /nfs/dbraw/zinc/09/55/84/457095584.db2.gz CKXBHMJSCKJOBV-GOSISDBHSA-N 3 2 344.528 3.199 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)c1cn(C)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000359663348 457106040 /nfs/dbraw/zinc/10/60/40/457106040.db2.gz MOKSGQHIODKFOZ-HNAYVOBHSA-N 2 2 326.488 3.216 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)c1cn(C)nc1C)[N@H+]1CCc2ccccc2C1 ZINC000359663348 457106046 /nfs/dbraw/zinc/10/60/46/457106046.db2.gz MOKSGQHIODKFOZ-HNAYVOBHSA-N 2 2 326.488 3.216 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851248 457123545 /nfs/dbraw/zinc/12/35/45/457123545.db2.gz MJKGRKSWMOTHAL-DLBZAZTESA-N 2 2 348.535 3.133 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851248 457123550 /nfs/dbraw/zinc/12/35/50/457123550.db2.gz MJKGRKSWMOTHAL-DLBZAZTESA-N 2 2 348.535 3.133 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354203517 457128307 /nfs/dbraw/zinc/12/83/07/457128307.db2.gz BWMJHMXYYZGMOB-FUHWJXTLSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354203517 457128315 /nfs/dbraw/zinc/12/83/15/457128315.db2.gz BWMJHMXYYZGMOB-FUHWJXTLSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354203517 457128321 /nfs/dbraw/zinc/12/83/21/457128321.db2.gz BWMJHMXYYZGMOB-FUHWJXTLSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354203517 457128330 /nfs/dbraw/zinc/12/83/30/457128330.db2.gz BWMJHMXYYZGMOB-FUHWJXTLSA-N 2 2 331.504 3.301 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346738416 457140034 /nfs/dbraw/zinc/14/00/34/457140034.db2.gz BMTSGLQKYBRRPV-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346738416 457140041 /nfs/dbraw/zinc/14/00/41/457140041.db2.gz BMTSGLQKYBRRPV-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346738416 457140049 /nfs/dbraw/zinc/14/00/49/457140049.db2.gz BMTSGLQKYBRRPV-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346738416 457140056 /nfs/dbraw/zinc/14/00/56/457140056.db2.gz BMTSGLQKYBRRPV-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP Fc1ccc2cc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)[nH]c2c1 ZINC000362923757 457157867 /nfs/dbraw/zinc/15/78/67/457157867.db2.gz LIQZMVBFYOMCNU-UHFFFAOYSA-N 2 2 338.430 3.456 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(CO)c2ccccc2)n1-c1ccccc1 ZINC000342191126 457158754 /nfs/dbraw/zinc/15/87/54/457158754.db2.gz KLDXBPCQLGPFHE-NRFANRHFSA-N 2 2 335.451 3.221 20 0 EGADLP C[C@@H]1[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000356836560 457181666 /nfs/dbraw/zinc/18/16/66/457181666.db2.gz BRMXTODRTPWFFK-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000356836560 457181673 /nfs/dbraw/zinc/18/16/73/457181673.db2.gz BRMXTODRTPWFFK-CABCVRRESA-N 2 2 325.412 3.039 20 0 EGADLP CCOCc1cc(C[N@H+](CC[NH3+])Cc2ccccc2)ccc1OC ZINC000346854463 457185504 /nfs/dbraw/zinc/18/55/04/457185504.db2.gz UJHIPVWAZRPTEO-UHFFFAOYSA-N 2 2 328.456 3.193 20 0 EGADLP CCOCc1cc(C[N@@H+](CC[NH3+])Cc2ccccc2)ccc1OC ZINC000346854463 457185510 /nfs/dbraw/zinc/18/55/10/457185510.db2.gz UJHIPVWAZRPTEO-UHFFFAOYSA-N 2 2 328.456 3.193 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000360046632 457223366 /nfs/dbraw/zinc/22/33/66/457223366.db2.gz QYZCDVIRVHYBPS-XRXFAXGQSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000360046632 457223370 /nfs/dbraw/zinc/22/33/70/457223370.db2.gz QYZCDVIRVHYBPS-XRXFAXGQSA-N 2 2 340.511 3.444 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047762 457224971 /nfs/dbraw/zinc/22/49/71/457224971.db2.gz YNXYKQBXZMOUMU-DGCLKSJQSA-N 2 2 326.387 3.184 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047762 457224974 /nfs/dbraw/zinc/22/49/74/457224974.db2.gz YNXYKQBXZMOUMU-DGCLKSJQSA-N 2 2 326.387 3.184 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000347097408 457227306 /nfs/dbraw/zinc/22/73/06/457227306.db2.gz IKBCVUZCIIELEL-HIFRSBDPSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000347097408 457227312 /nfs/dbraw/zinc/22/73/12/457227312.db2.gz IKBCVUZCIIELEL-HIFRSBDPSA-N 2 2 331.485 3.378 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000357026961 457284088 /nfs/dbraw/zinc/28/40/88/457284088.db2.gz NUKPNBDRBKZKOC-KZNAEPCWSA-N 2 2 330.451 3.111 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000339819148 457288596 /nfs/dbraw/zinc/28/85/96/457288596.db2.gz FVUWIDIHIJRZCP-QGZVFWFLSA-N 2 2 325.456 3.105 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000339819148 457288603 /nfs/dbraw/zinc/28/86/03/457288603.db2.gz FVUWIDIHIJRZCP-QGZVFWFLSA-N 2 2 325.456 3.105 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472645 457298672 /nfs/dbraw/zinc/29/86/72/457298672.db2.gz BFUPLXNKBWCQOI-JMGFVUJMSA-N 2 2 346.862 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472645 457298678 /nfs/dbraw/zinc/29/86/78/457298678.db2.gz BFUPLXNKBWCQOI-JMGFVUJMSA-N 2 2 346.862 3.044 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442178 457370984 /nfs/dbraw/zinc/37/09/84/457370984.db2.gz LOHFZQNPDSACDQ-WMLDXEAASA-N 2 2 334.414 3.073 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442178 457370988 /nfs/dbraw/zinc/37/09/88/457370988.db2.gz LOHFZQNPDSACDQ-WMLDXEAASA-N 2 2 334.414 3.073 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000357240502 457396059 /nfs/dbraw/zinc/39/60/59/457396059.db2.gz VGBBGQDWBXLFRQ-AWEZNQCLSA-N 2 2 343.862 3.176 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000357240502 457396067 /nfs/dbraw/zinc/39/60/67/457396067.db2.gz VGBBGQDWBXLFRQ-AWEZNQCLSA-N 2 2 343.862 3.176 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000363671324 457408651 /nfs/dbraw/zinc/40/86/51/457408651.db2.gz KZCVIGHMIHWOHY-ZWKOTPCHSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000363671324 457408655 /nfs/dbraw/zinc/40/86/55/457408655.db2.gz KZCVIGHMIHWOHY-ZWKOTPCHSA-N 2 2 343.515 3.121 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352535666 457446378 /nfs/dbraw/zinc/44/63/78/457446378.db2.gz UCXCPEYUZIBPBW-CYBMUJFWSA-N 2 2 340.393 3.295 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352535666 457446382 /nfs/dbraw/zinc/44/63/82/457446382.db2.gz UCXCPEYUZIBPBW-CYBMUJFWSA-N 2 2 340.393 3.295 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000360944728 457451602 /nfs/dbraw/zinc/45/16/02/457451602.db2.gz AHCMFOZGLQVOIY-IBGZPJMESA-N 3 2 338.499 3.253 20 0 EGADLP CCCOc1c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000352545579 457456703 /nfs/dbraw/zinc/45/67/03/457456703.db2.gz KBMQSQVPAUHXPI-FQEVSTJZSA-N 2 2 332.488 3.450 20 0 EGADLP CCCOc1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000352545579 457456709 /nfs/dbraw/zinc/45/67/09/457456709.db2.gz KBMQSQVPAUHXPI-FQEVSTJZSA-N 2 2 332.488 3.450 20 0 EGADLP Clc1ccc(N2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000342707635 457470060 /nfs/dbraw/zinc/47/00/60/457470060.db2.gz UFTCVIVQCADGBZ-UHFFFAOYSA-N 2 2 326.831 3.310 20 0 EGADLP Fc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000395033463 457474553 /nfs/dbraw/zinc/47/45/53/457474553.db2.gz YQBVBLZYOLEGCP-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Fc1c(Br)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000395033463 457474561 /nfs/dbraw/zinc/47/45/61/457474561.db2.gz YQBVBLZYOLEGCP-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000397302551 457485836 /nfs/dbraw/zinc/48/58/36/457485836.db2.gz FFPNMPVUTGRUKL-YRGRVCCFSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000397302551 457485841 /nfs/dbraw/zinc/48/58/41/457485841.db2.gz FFPNMPVUTGRUKL-YRGRVCCFSA-N 2 2 334.851 3.195 20 0 EGADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401010086 457521454 /nfs/dbraw/zinc/52/14/54/457521454.db2.gz RFBMAAWGIZQDSN-UWHLTILDSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401010086 457521464 /nfs/dbraw/zinc/52/14/64/457521464.db2.gz RFBMAAWGIZQDSN-UWHLTILDSA-N 3 2 327.516 3.019 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)n1C ZINC000425371577 457524144 /nfs/dbraw/zinc/52/41/44/457524144.db2.gz QJTQNEWZRKYSEU-IBGZPJMESA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)n1C ZINC000425371577 457524152 /nfs/dbraw/zinc/52/41/52/457524152.db2.gz QJTQNEWZRKYSEU-IBGZPJMESA-N 2 2 330.451 3.222 20 0 EGADLP Brc1c[nH+]ccc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000361042125 457537090 /nfs/dbraw/zinc/53/70/90/457537090.db2.gz IOFKJVNIOMWGRD-UHFFFAOYSA-N 2 2 329.201 3.268 20 0 EGADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000342857981 457561649 /nfs/dbraw/zinc/56/16/49/457561649.db2.gz GREVCKXFKCGOJP-MRXNPFEDSA-N 2 2 346.496 3.467 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)s1 ZINC000352758154 457586583 /nfs/dbraw/zinc/58/65/83/457586583.db2.gz GLUFXCOFTQMLDS-OAHLLOKOSA-N 2 2 348.491 3.102 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1c(F)cccc1Cl ZINC000374420957 457622048 /nfs/dbraw/zinc/62/20/48/457622048.db2.gz MUABGPRHOFXBJF-XWIAVFTESA-N 2 2 340.870 3.205 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1c(F)cccc1Cl ZINC000374420957 457622051 /nfs/dbraw/zinc/62/20/51/457622051.db2.gz MUABGPRHOFXBJF-XWIAVFTESA-N 2 2 340.870 3.205 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000370882880 457733323 /nfs/dbraw/zinc/73/33/23/457733323.db2.gz ALNDVSXXWGYFDJ-SUMWQHHRSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000370882880 457733324 /nfs/dbraw/zinc/73/33/24/457733324.db2.gz ALNDVSXXWGYFDJ-SUMWQHHRSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)oc2c1 ZINC000370882880 457733325 /nfs/dbraw/zinc/73/33/25/457733325.db2.gz ALNDVSXXWGYFDJ-SUMWQHHRSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)oc2c1 ZINC000370882880 457733326 /nfs/dbraw/zinc/73/33/26/457733326.db2.gz ALNDVSXXWGYFDJ-SUMWQHHRSA-N 2 2 329.419 3.416 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365383918 457755272 /nfs/dbraw/zinc/75/52/72/457755272.db2.gz WUNQKYMCHIOGER-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365383918 457755275 /nfs/dbraw/zinc/75/52/75/457755275.db2.gz WUNQKYMCHIOGER-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP Cn1c(NC[C@H](c2ccco2)[NH+]2CCCCC2)[nH+]c2cccc(F)c21 ZINC000443404533 457758705 /nfs/dbraw/zinc/75/87/05/457758705.db2.gz GIQNIQUCHSYKSO-MRXNPFEDSA-N 2 2 342.418 3.366 20 0 EGADLP Cc1[nH+]cc(C[N@H+](CCO)Cc2cccc(F)c2)n1-c1ccccc1 ZINC000426382044 457818115 /nfs/dbraw/zinc/81/81/15/457818115.db2.gz OXSJRVQTXQVVFM-UHFFFAOYSA-N 2 2 339.414 3.314 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](CCO)Cc2cccc(F)c2)n1-c1ccccc1 ZINC000426382044 457818120 /nfs/dbraw/zinc/81/81/20/457818120.db2.gz OXSJRVQTXQVVFM-UHFFFAOYSA-N 2 2 339.414 3.314 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)C[NH+]1CCCC1 ZINC000443959858 457829596 /nfs/dbraw/zinc/82/95/96/457829596.db2.gz FJWMYJIQDDBECV-SFHVURJKSA-N 2 2 344.430 3.164 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000361755728 457838569 /nfs/dbraw/zinc/83/85/69/457838569.db2.gz ROXHKTKTXXJENZ-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000361755728 457838577 /nfs/dbraw/zinc/83/85/77/457838577.db2.gz ROXHKTKTXXJENZ-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000361755728 457838584 /nfs/dbraw/zinc/83/85/84/457838584.db2.gz ROXHKTKTXXJENZ-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000361755728 457838594 /nfs/dbraw/zinc/83/85/94/457838594.db2.gz ROXHKTKTXXJENZ-DYESRHJHSA-N 3 2 341.499 3.341 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366543823 457846575 /nfs/dbraw/zinc/84/65/75/457846575.db2.gz JUUFMXBKSYZQGS-KSSFIOAISA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366543823 457846582 /nfs/dbraw/zinc/84/65/82/457846582.db2.gz JUUFMXBKSYZQGS-KSSFIOAISA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366543823 457846588 /nfs/dbraw/zinc/84/65/88/457846588.db2.gz JUUFMXBKSYZQGS-KSSFIOAISA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366543823 457846590 /nfs/dbraw/zinc/84/65/90/457846590.db2.gz JUUFMXBKSYZQGS-KSSFIOAISA-N 2 2 335.879 3.003 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000366615926 457871600 /nfs/dbraw/zinc/87/16/00/457871600.db2.gz IIOWKFRAUGEMKM-QGZVFWFLSA-N 2 2 349.523 3.258 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366707292 457891059 /nfs/dbraw/zinc/89/10/59/457891059.db2.gz HADSTROFSMVMMV-QGZVFWFLSA-N 2 2 334.508 3.087 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257970 457893139 /nfs/dbraw/zinc/89/31/39/457893139.db2.gz VFPKITWITAIKBX-SJLPKXTDSA-N 2 2 340.895 3.092 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257970 457893143 /nfs/dbraw/zinc/89/31/43/457893143.db2.gz VFPKITWITAIKBX-SJLPKXTDSA-N 2 2 340.895 3.092 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000444624104 457921523 /nfs/dbraw/zinc/92/15/23/457921523.db2.gz WATKZKXRAMLZQT-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000444624104 457921528 /nfs/dbraw/zinc/92/15/28/457921528.db2.gz WATKZKXRAMLZQT-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000361879070 457925623 /nfs/dbraw/zinc/92/56/23/457925623.db2.gz FUMYQMHBNFVVDA-JXFKEZNVSA-N 2 2 328.456 3.130 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000361879070 457925630 /nfs/dbraw/zinc/92/56/30/457925630.db2.gz FUMYQMHBNFVVDA-JXFKEZNVSA-N 2 2 328.456 3.130 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884654 457929472 /nfs/dbraw/zinc/92/94/72/457929472.db2.gz FLXLTOOXCIZGJK-JXFKEZNVSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884654 457929478 /nfs/dbraw/zinc/92/94/78/457929478.db2.gz FLXLTOOXCIZGJK-JXFKEZNVSA-N 2 2 328.431 3.113 20 0 EGADLP CC[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010144 457930413 /nfs/dbraw/zinc/93/04/13/457930413.db2.gz BOFFQMIPANPLOW-MDNKFWRPSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010144 457930420 /nfs/dbraw/zinc/93/04/20/457930420.db2.gz BOFFQMIPANPLOW-MDNKFWRPSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010144 457930425 /nfs/dbraw/zinc/93/04/25/457930425.db2.gz BOFFQMIPANPLOW-MDNKFWRPSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010144 457930429 /nfs/dbraw/zinc/93/04/29/457930429.db2.gz BOFFQMIPANPLOW-MDNKFWRPSA-N 2 2 331.504 3.211 20 0 EGADLP C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640174 457936258 /nfs/dbraw/zinc/93/62/58/457936258.db2.gz VEZYYIFRNMMYLS-SBUREZEXSA-N 2 2 334.529 3.015 20 0 EGADLP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)OC ZINC000358341531 457945084 /nfs/dbraw/zinc/94/50/84/457945084.db2.gz OJLDOYWNXZIAAI-FQEVSTJZSA-N 2 2 333.520 3.477 20 0 EGADLP Cc1cncc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000358364287 457957002 /nfs/dbraw/zinc/95/70/02/457957002.db2.gz HXYAOJBEEKUGCV-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358453522 458013272 /nfs/dbraw/zinc/01/32/72/458013272.db2.gz QJQOVRRCBXCUAE-CYBMUJFWSA-N 2 2 338.377 3.307 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000427855646 458043922 /nfs/dbraw/zinc/04/39/22/458043922.db2.gz LIQCPOQFEFGKKN-GXTWGEPZSA-N 2 2 339.361 3.490 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794349 458052674 /nfs/dbraw/zinc/05/26/74/458052674.db2.gz MSMORBGHKAFGAK-SLYNCCJLSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794349 458052684 /nfs/dbraw/zinc/05/26/84/458052684.db2.gz MSMORBGHKAFGAK-SLYNCCJLSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434794349 458052690 /nfs/dbraw/zinc/05/26/90/458052690.db2.gz MSMORBGHKAFGAK-SLYNCCJLSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434794349 458052698 /nfs/dbraw/zinc/05/26/98/458052698.db2.gz MSMORBGHKAFGAK-SLYNCCJLSA-N 2 2 327.516 3.428 20 0 EGADLP C[N@@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)[C@@H](c2ccccc2)C1 ZINC000434981231 458074538 /nfs/dbraw/zinc/07/45/38/458074538.db2.gz FFZDBUQZNWZUMH-GOSISDBHSA-N 2 2 340.858 3.476 20 0 EGADLP C[N@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)[C@@H](c2ccccc2)C1 ZINC000434981231 458074542 /nfs/dbraw/zinc/07/45/42/458074542.db2.gz FFZDBUQZNWZUMH-GOSISDBHSA-N 2 2 340.858 3.476 20 0 EGADLP CCC[N@H+](C)CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000358569093 458081885 /nfs/dbraw/zinc/08/18/85/458081885.db2.gz UHKNSQHQGYFHMC-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP CCC[N@@H+](C)CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000358569093 458081891 /nfs/dbraw/zinc/08/18/91/458081891.db2.gz UHKNSQHQGYFHMC-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(C)nc1-c1cccs1)CCC2 ZINC000362336954 458113465 /nfs/dbraw/zinc/11/34/65/458113465.db2.gz RKCKMRAFOUWAOK-AWEZNQCLSA-N 2 2 341.484 3.321 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1OCc1ccccc1 ZINC000435370407 458121907 /nfs/dbraw/zinc/12/19/07/458121907.db2.gz IRFWOFMYEUCPCE-SFHVURJKSA-N 2 2 326.440 3.197 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1OCc1ccccc1 ZINC000435370407 458121911 /nfs/dbraw/zinc/12/19/11/458121911.db2.gz IRFWOFMYEUCPCE-SFHVURJKSA-N 2 2 326.440 3.197 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000435371226 458122602 /nfs/dbraw/zinc/12/26/02/458122602.db2.gz MAOTUOZNCOVEGP-UHFFFAOYSA-N 2 2 326.488 3.354 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccc(C)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435422943 458142476 /nfs/dbraw/zinc/14/24/76/458142476.db2.gz QZCOKJWQLRKIQY-IBGZPJMESA-N 2 2 338.499 3.356 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435422943 458142482 /nfs/dbraw/zinc/14/24/82/458142482.db2.gz QZCOKJWQLRKIQY-IBGZPJMESA-N 2 2 338.499 3.356 20 0 EGADLP CCn1cc[nH+]c1CN(Cc1ccccc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432548 458144167 /nfs/dbraw/zinc/14/41/67/458144167.db2.gz JDVFVQWHKXYYIL-GOSISDBHSA-N 2 2 342.462 3.186 20 0 EGADLP CC[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435627361 458175987 /nfs/dbraw/zinc/17/59/87/458175987.db2.gz QXXFPYGYPLUMJC-OAHLLOKOSA-N 2 2 334.851 3.354 20 0 EGADLP CC[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435627361 458175993 /nfs/dbraw/zinc/17/59/93/458175993.db2.gz QXXFPYGYPLUMJC-OAHLLOKOSA-N 2 2 334.851 3.354 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066199 458181682 /nfs/dbraw/zinc/18/16/82/458181682.db2.gz XLNWHJPYBVGDGF-DQLDELGASA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066199 458181687 /nfs/dbraw/zinc/18/16/87/458181687.db2.gz XLNWHJPYBVGDGF-DQLDELGASA-N 2 2 337.467 3.262 20 0 EGADLP Cc1cccn2c(C[NH2+]Cc3ccc(NC(=O)N(C)C)cc3)c[nH+]c12 ZINC000358747542 458188682 /nfs/dbraw/zinc/18/86/82/458188682.db2.gz WNEYRASTGQQKIN-UHFFFAOYSA-N 2 2 337.427 3.026 20 0 EGADLP CC(C)(C)c1cnc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000369380265 458195956 /nfs/dbraw/zinc/19/59/56/458195956.db2.gz SLTHDAXCCLSYMK-AWEZNQCLSA-N 2 2 337.533 3.031 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000459042972 458251516 /nfs/dbraw/zinc/25/15/16/458251516.db2.gz COTLUUQAYGCWIP-KRWDZBQOSA-N 2 2 349.523 3.262 20 0 EGADLP COc1cccc2c(NC[C@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]c12 ZINC000436180312 458264991 /nfs/dbraw/zinc/26/49/91/458264991.db2.gz BRPKZPNMDDESPW-HNNXBMFYSA-N 2 2 329.444 3.012 20 0 EGADLP COc1cccc2c(NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc[nH+]c12 ZINC000436180312 458264996 /nfs/dbraw/zinc/26/49/96/458264996.db2.gz BRPKZPNMDDESPW-HNNXBMFYSA-N 2 2 329.444 3.012 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000447542415 458308263 /nfs/dbraw/zinc/30/82/63/458308263.db2.gz JEEFKTATVMDHFM-VHDGCEQUSA-N 2 2 334.460 3.214 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000447542415 458308269 /nfs/dbraw/zinc/30/82/69/458308269.db2.gz JEEFKTATVMDHFM-VHDGCEQUSA-N 2 2 334.460 3.214 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324438 458329909 /nfs/dbraw/zinc/32/99/09/458329909.db2.gz KOMRSAJPPJTYEL-DLBZAZTESA-N 2 2 328.504 3.440 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324438 458329917 /nfs/dbraw/zinc/32/99/17/458329917.db2.gz KOMRSAJPPJTYEL-DLBZAZTESA-N 2 2 328.504 3.440 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324438 458329924 /nfs/dbraw/zinc/32/99/24/458329924.db2.gz KOMRSAJPPJTYEL-DLBZAZTESA-N 2 2 328.504 3.440 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324438 458329929 /nfs/dbraw/zinc/32/99/29/458329929.db2.gz KOMRSAJPPJTYEL-DLBZAZTESA-N 2 2 328.504 3.440 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000459358663 458342879 /nfs/dbraw/zinc/34/28/79/458342879.db2.gz NBCOYFPTFPIHEZ-FSPWUOQZSA-N 2 2 340.870 3.471 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000459358663 458342881 /nfs/dbraw/zinc/34/28/81/458342881.db2.gz NBCOYFPTFPIHEZ-FSPWUOQZSA-N 2 2 340.870 3.471 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551426 458343942 /nfs/dbraw/zinc/34/39/42/458343942.db2.gz UYESCVAIZFJQRC-FUHWJXTLSA-N 2 2 347.478 3.046 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551426 458343944 /nfs/dbraw/zinc/34/39/44/458343944.db2.gz UYESCVAIZFJQRC-FUHWJXTLSA-N 2 2 347.478 3.046 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459418567 458364496 /nfs/dbraw/zinc/36/44/96/458364496.db2.gz DBKIWIVURBCFCI-OXJNMPFZSA-N 2 2 336.483 3.497 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418567 458364498 /nfs/dbraw/zinc/36/44/98/458364498.db2.gz DBKIWIVURBCFCI-OXJNMPFZSA-N 2 2 336.483 3.497 20 0 EGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000459420835 458364786 /nfs/dbraw/zinc/36/47/86/458364786.db2.gz GNFUQZXAWRGDQA-MRXNPFEDSA-N 2 2 328.460 3.010 20 0 EGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000459420835 458364790 /nfs/dbraw/zinc/36/47/90/458364790.db2.gz GNFUQZXAWRGDQA-MRXNPFEDSA-N 2 2 328.460 3.010 20 0 EGADLP CCC[NH+](CCC)CCC[NH2+]Cc1c(Br)c(C)nn1C ZINC000447940078 458367771 /nfs/dbraw/zinc/36/77/71/458367771.db2.gz AWAWWBWQECMUSZ-UHFFFAOYSA-N 2 2 345.329 3.093 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448031957 458381471 /nfs/dbraw/zinc/38/14/71/458381471.db2.gz VQYUNCQNTCJROH-FUHWJXTLSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448031957 458381477 /nfs/dbraw/zinc/38/14/77/458381477.db2.gz VQYUNCQNTCJROH-FUHWJXTLSA-N 2 2 331.504 3.422 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1Sc1ccccc1 ZINC000459497198 458392211 /nfs/dbraw/zinc/39/22/11/458392211.db2.gz IMMIJCUWRPJFFH-KLICCBINSA-N 2 2 343.496 3.126 20 0 EGADLP c1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCCC2 ZINC000430070785 458395050 /nfs/dbraw/zinc/39/50/50/458395050.db2.gz YMCOUTCRXLGBBS-IBGZPJMESA-N 2 2 328.500 3.110 20 0 EGADLP c1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCCC2 ZINC000430070785 458395056 /nfs/dbraw/zinc/39/50/56/458395056.db2.gz YMCOUTCRXLGBBS-IBGZPJMESA-N 2 2 328.500 3.110 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031820 458423951 /nfs/dbraw/zinc/42/39/51/458423951.db2.gz OOJVMBXBUZBEED-UGSOOPFHSA-N 2 2 331.891 3.447 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031820 458423955 /nfs/dbraw/zinc/42/39/55/458423955.db2.gz OOJVMBXBUZBEED-UGSOOPFHSA-N 2 2 331.891 3.447 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031816 458424052 /nfs/dbraw/zinc/42/40/52/458424052.db2.gz OOJVMBXBUZBEED-FZKQIMNGSA-N 2 2 331.891 3.447 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000437031816 458424055 /nfs/dbraw/zinc/42/40/55/458424055.db2.gz OOJVMBXBUZBEED-FZKQIMNGSA-N 2 2 331.891 3.447 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000423502494 458444845 /nfs/dbraw/zinc/44/48/45/458444845.db2.gz MALMVPFMHCRBCA-QRWLVFNGSA-N 2 2 335.455 3.180 20 0 EGADLP Fc1ccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000423514015 458446849 /nfs/dbraw/zinc/44/68/49/458446849.db2.gz CRNXHYOGRDNTOR-VQIMIIECSA-N 2 2 348.849 3.341 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423516800 458448589 /nfs/dbraw/zinc/44/85/89/458448589.db2.gz NQLITIHENKPTHB-OALUTQOASA-N 2 2 347.865 3.062 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423515402 458449122 /nfs/dbraw/zinc/44/91/22/458449122.db2.gz NEIGNSUTBZJGCR-NVXWUHKLSA-N 2 2 349.931 3.179 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)nnn1-c1ccc(C)cc1 ZINC000423533908 458454195 /nfs/dbraw/zinc/45/41/95/458454195.db2.gz UQNJPDPAWUIJGU-KDOFPFPSSA-N 2 2 327.476 3.052 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H]1C[NH3+] ZINC000430553100 458459484 /nfs/dbraw/zinc/45/94/84/458459484.db2.gz CMONHUYJRIRBIO-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H]1C[NH3+] ZINC000430553100 458459489 /nfs/dbraw/zinc/45/94/89/458459489.db2.gz CMONHUYJRIRBIO-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430552868 458459532 /nfs/dbraw/zinc/45/95/32/458459532.db2.gz BWPZVXHUGINUNR-UZLBHIALSA-N 2 2 333.520 3.025 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1C[NH3+] ZINC000430557557 458461092 /nfs/dbraw/zinc/46/10/92/458461092.db2.gz SOMUOVDLFLBKDO-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1C[NH3+] ZINC000430557557 458461097 /nfs/dbraw/zinc/46/10/97/458461097.db2.gz SOMUOVDLFLBKDO-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000430553967 458461360 /nfs/dbraw/zinc/46/13/60/458461360.db2.gz FNRDOGYHMHQHRS-SFHVURJKSA-N 2 2 333.520 3.119 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000430553967 458461365 /nfs/dbraw/zinc/46/13/65/458461365.db2.gz FNRDOGYHMHQHRS-SFHVURJKSA-N 2 2 333.520 3.119 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564939 458461908 /nfs/dbraw/zinc/46/19/08/458461908.db2.gz NNUCRHWOHYMEOT-UONOGXRCSA-N 2 2 349.475 3.420 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564939 458461911 /nfs/dbraw/zinc/46/19/11/458461911.db2.gz NNUCRHWOHYMEOT-UONOGXRCSA-N 2 2 349.475 3.420 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)c1 ZINC000430579769 458465119 /nfs/dbraw/zinc/46/51/19/458465119.db2.gz KNWZWQVBEOSNEW-UKRRQHHQSA-N 2 2 331.485 3.378 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)c1 ZINC000430579769 458465125 /nfs/dbraw/zinc/46/51/25/458465125.db2.gz KNWZWQVBEOSNEW-UKRRQHHQSA-N 2 2 331.485 3.378 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430600299 458469326 /nfs/dbraw/zinc/46/93/26/458469326.db2.gz HGNBPDNYORVXQJ-HNNXBMFYSA-N 2 2 345.874 3.485 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430600299 458469331 /nfs/dbraw/zinc/46/93/31/458469331.db2.gz HGNBPDNYORVXQJ-HNNXBMFYSA-N 2 2 345.874 3.485 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH2+]CC1 ZINC000430604758 458470751 /nfs/dbraw/zinc/47/07/51/458470751.db2.gz QZJAJARTGYWUJN-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC[NH2+]CC1 ZINC000430604758 458470754 /nfs/dbraw/zinc/47/07/54/458470754.db2.gz QZJAJARTGYWUJN-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000437587535 458471210 /nfs/dbraw/zinc/47/12/10/458471210.db2.gz GXEOIEAKFIOGGL-UHFFFAOYSA-N 2 2 339.468 3.164 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616809 458472100 /nfs/dbraw/zinc/47/21/00/458472100.db2.gz HZIRCWHZFIVESH-LPHOPBHVSA-N 2 2 329.488 3.014 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616809 458472104 /nfs/dbraw/zinc/47/21/04/458472104.db2.gz HZIRCWHZFIVESH-LPHOPBHVSA-N 2 2 329.488 3.014 20 0 EGADLP COc1ccccc1-n1nccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000430764864 458489811 /nfs/dbraw/zinc/48/98/11/458489811.db2.gz UHVZVTRHYBVBLW-KRWDZBQOSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccccc1-n1nccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000430764864 458489814 /nfs/dbraw/zinc/48/98/14/458489814.db2.gz UHVZVTRHYBVBLW-KRWDZBQOSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccccc1-n1nccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430764864 458489820 /nfs/dbraw/zinc/48/98/20/458489820.db2.gz UHVZVTRHYBVBLW-KRWDZBQOSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccccc1-n1nccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000430764864 458489822 /nfs/dbraw/zinc/48/98/22/458489822.db2.gz UHVZVTRHYBVBLW-KRWDZBQOSA-N 2 2 342.487 3.187 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000423830927 458493350 /nfs/dbraw/zinc/49/33/50/458493350.db2.gz VLUBCUCINCEART-GOSISDBHSA-N 2 2 342.487 3.136 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430938592 458507280 /nfs/dbraw/zinc/50/72/80/458507280.db2.gz IKIWMNLQLGDMRT-LPHOPBHVSA-N 2 2 335.536 3.150 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430938592 458507281 /nfs/dbraw/zinc/50/72/81/458507281.db2.gz IKIWMNLQLGDMRT-LPHOPBHVSA-N 2 2 335.536 3.150 20 0 EGADLP Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)ccc1Oc1cc[nH+]cc1 ZINC000423915384 458512000 /nfs/dbraw/zinc/51/20/00/458512000.db2.gz WJSZJCOEZOVOBM-HNNXBMFYSA-N 2 2 343.452 3.216 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430972872 458512215 /nfs/dbraw/zinc/51/22/15/458512215.db2.gz RWWWWCJCUQRPON-BSIFCXSSSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430972872 458512219 /nfs/dbraw/zinc/51/22/19/458512219.db2.gz RWWWWCJCUQRPON-BSIFCXSSSA-N 2 2 343.515 3.093 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)c3ccc(C[NH3+])cc3)ccc2n1C1CC1 ZINC000423930653 458514461 /nfs/dbraw/zinc/51/44/61/458514461.db2.gz LBZRTROGIPGFIW-UHFFFAOYSA-N 2 2 348.450 3.322 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)/C=C\c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000493630937 458517797 /nfs/dbraw/zinc/51/77/97/458517797.db2.gz NATDAJBVUZGMEV-ZEVQVBBLSA-N 2 2 338.455 3.012 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+](Cc2cccc(F)c2)C2CCCC2)n1 ZINC000431070978 458525281 /nfs/dbraw/zinc/52/52/81/458525281.db2.gz NGVVGXUWDXNFGS-UHFFFAOYSA-N 2 2 332.423 3.347 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)n1 ZINC000431070978 458525291 /nfs/dbraw/zinc/52/52/91/458525291.db2.gz NGVVGXUWDXNFGS-UHFFFAOYSA-N 2 2 332.423 3.347 20 0 EGADLP CCC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)C1CC[NH2+]CC1 ZINC000431077377 458526358 /nfs/dbraw/zinc/52/63/58/458526358.db2.gz ODWIJAKPFAGCBK-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP CCC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)C1CC[NH2+]CC1 ZINC000431077377 458526361 /nfs/dbraw/zinc/52/63/61/458526361.db2.gz ODWIJAKPFAGCBK-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555837 458526910 /nfs/dbraw/zinc/52/69/10/458526910.db2.gz RCBDTJTVBMTOSW-WMLDXEAASA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555837 458526913 /nfs/dbraw/zinc/52/69/13/458526913.db2.gz RCBDTJTVBMTOSW-WMLDXEAASA-N 2 2 344.421 3.337 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1)CCC2 ZINC000377993239 458593549 /nfs/dbraw/zinc/59/35/49/458593549.db2.gz FLTJXGCDMVKMCE-ZBFHGGJFSA-N 2 2 326.444 3.076 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2[NH3+])cn1 ZINC000424295839 458608453 /nfs/dbraw/zinc/60/84/53/458608453.db2.gz RIKQRTLZNHIXFO-LEWJYISDSA-N 2 2 332.451 3.014 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2[NH3+])cn1 ZINC000424295839 458608456 /nfs/dbraw/zinc/60/84/56/458608456.db2.gz RIKQRTLZNHIXFO-LEWJYISDSA-N 2 2 332.451 3.014 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000431799117 458626753 /nfs/dbraw/zinc/62/67/53/458626753.db2.gz JUIQPUVEEPMFKI-WBVHZDCISA-N 2 2 337.533 3.120 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000456370797 458652064 /nfs/dbraw/zinc/65/20/64/458652064.db2.gz YJNJJRDKUAUPRI-OAHLLOKOSA-N 2 2 328.460 3.236 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456381537 458657127 /nfs/dbraw/zinc/65/71/27/458657127.db2.gz MTOOHXMLLQALLJ-UAGQMJEPSA-N 2 2 326.444 3.088 20 0 EGADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000462813043 458657159 /nfs/dbraw/zinc/65/71/59/458657159.db2.gz KCTBIWDQWYQZDM-IRXDYDNUSA-N 2 2 342.531 3.060 20 0 EGADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000462813043 458657166 /nfs/dbraw/zinc/65/71/66/458657166.db2.gz KCTBIWDQWYQZDM-IRXDYDNUSA-N 2 2 342.531 3.060 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000494450839 458679155 /nfs/dbraw/zinc/67/91/55/458679155.db2.gz FSRARCZZCZBIQQ-OAHLLOKOSA-N 2 2 348.491 3.236 20 0 EGADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432117463 458684842 /nfs/dbraw/zinc/68/48/42/458684842.db2.gz TVFMJHCOAMIFPX-ZDUSSCGKSA-N 2 2 339.468 3.214 20 0 EGADLP c1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432117463 458684847 /nfs/dbraw/zinc/68/48/47/458684847.db2.gz TVFMJHCOAMIFPX-ZDUSSCGKSA-N 2 2 339.468 3.214 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277170 458713294 /nfs/dbraw/zinc/71/32/94/458713294.db2.gz VRVPYZZERJJOEF-MOPGFXCFSA-N 2 2 330.859 3.086 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277170 458713299 /nfs/dbraw/zinc/71/32/99/458713299.db2.gz VRVPYZZERJJOEF-MOPGFXCFSA-N 2 2 330.859 3.086 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(C(C)(C)C)s2)CCCO1 ZINC000432360521 458723837 /nfs/dbraw/zinc/72/38/37/458723837.db2.gz WANDJHUVEIVGBG-AWEZNQCLSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(C(C)(C)C)s2)CCCO1 ZINC000432360521 458723840 /nfs/dbraw/zinc/72/38/40/458723840.db2.gz WANDJHUVEIVGBG-AWEZNQCLSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424560 458738084 /nfs/dbraw/zinc/73/80/84/458738084.db2.gz JOTTUTPSABSHOU-GJZGRUSLSA-N 2 2 337.533 3.173 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424560 458738086 /nfs/dbraw/zinc/73/80/86/458738086.db2.gz JOTTUTPSABSHOU-GJZGRUSLSA-N 2 2 337.533 3.173 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)sc2C1 ZINC000439793062 458752258 /nfs/dbraw/zinc/75/22/58/458752258.db2.gz MSRUZRHUHYJUSO-QGZVFWFLSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)sc2C1 ZINC000439793062 458752262 /nfs/dbraw/zinc/75/22/62/458752262.db2.gz MSRUZRHUHYJUSO-QGZVFWFLSA-N 2 2 349.544 3.301 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)s1 ZINC000494834471 458753448 /nfs/dbraw/zinc/75/34/48/458753448.db2.gz FISGYXPTKQTNAR-ZJUUUORDSA-N 2 2 326.263 3.373 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494923549 458766168 /nfs/dbraw/zinc/76/61/68/458766168.db2.gz NUGGIENRSKZMLZ-SOLBZPMBSA-N 2 2 333.524 3.384 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494923549 458766170 /nfs/dbraw/zinc/76/61/70/458766170.db2.gz NUGGIENRSKZMLZ-SOLBZPMBSA-N 2 2 333.524 3.384 20 0 EGADLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000518268646 458851964 /nfs/dbraw/zinc/85/19/64/458851964.db2.gz OOSWJJSNLBWTDI-UHFFFAOYSA-N 2 2 341.474 3.436 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H]3Cc3ccccc3)c2cc1C ZINC000530994513 458856248 /nfs/dbraw/zinc/85/62/48/458856248.db2.gz DIELVUIOHPLDIQ-PMACEKPBSA-N 2 2 349.478 3.331 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H]3Cc3ccccc3)c2cc1C ZINC000530994513 458856253 /nfs/dbraw/zinc/85/62/53/458856253.db2.gz DIELVUIOHPLDIQ-PMACEKPBSA-N 2 2 349.478 3.331 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000531051587 458863870 /nfs/dbraw/zinc/86/38/70/458863870.db2.gz ZJYGJQLHAHHUEA-UHFFFAOYSA-N 2 2 340.471 3.127 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441328110 458919268 /nfs/dbraw/zinc/91/92/68/458919268.db2.gz VNWHTASNOMINHH-HKUYNNGSSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441328110 458919272 /nfs/dbraw/zinc/91/92/72/458919272.db2.gz VNWHTASNOMINHH-HKUYNNGSSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441328110 458919274 /nfs/dbraw/zinc/91/92/74/458919274.db2.gz VNWHTASNOMINHH-HKUYNNGSSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441328110 458919276 /nfs/dbraw/zinc/91/92/76/458919276.db2.gz VNWHTASNOMINHH-HKUYNNGSSA-N 2 2 335.536 3.188 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441335102 458922095 /nfs/dbraw/zinc/92/20/95/458922095.db2.gz XLSVIJXYAHXWQD-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441335102 458922100 /nfs/dbraw/zinc/92/21/00/458922100.db2.gz XLSVIJXYAHXWQD-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441335102 458922106 /nfs/dbraw/zinc/92/21/06/458922106.db2.gz XLSVIJXYAHXWQD-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441335102 458922110 /nfs/dbraw/zinc/92/21/10/458922110.db2.gz XLSVIJXYAHXWQD-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441350026 458924653 /nfs/dbraw/zinc/92/46/53/458924653.db2.gz GVLCDQXEIQPEBQ-AZUAARDMSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441350026 458924656 /nfs/dbraw/zinc/92/46/56/458924656.db2.gz GVLCDQXEIQPEBQ-AZUAARDMSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000441350026 458924660 /nfs/dbraw/zinc/92/46/60/458924660.db2.gz GVLCDQXEIQPEBQ-AZUAARDMSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000441350026 458924666 /nfs/dbraw/zinc/92/46/66/458924666.db2.gz GVLCDQXEIQPEBQ-AZUAARDMSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](C)c3ccccc3)c2cc1C ZINC000556090203 458927575 /nfs/dbraw/zinc/92/75/75/458927575.db2.gz JQCGCYBCCOESFV-PKOBYXMFSA-N 2 2 337.467 3.407 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369972 458929325 /nfs/dbraw/zinc/92/93/25/458929325.db2.gz OWLYEHLUELPZBB-SJLPKXTDSA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369972 458929327 /nfs/dbraw/zinc/92/93/27/458929327.db2.gz OWLYEHLUELPZBB-SJLPKXTDSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369972 458929330 /nfs/dbraw/zinc/92/93/30/458929330.db2.gz OWLYEHLUELPZBB-SJLPKXTDSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369972 458929332 /nfs/dbraw/zinc/92/93/32/458929332.db2.gz OWLYEHLUELPZBB-SJLPKXTDSA-N 2 2 349.906 3.252 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000467352042 458970474 /nfs/dbraw/zinc/97/04/74/458970474.db2.gz FAJNHDHRYDYJPJ-CABCVRRESA-N 2 2 344.421 3.194 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556573481 458974101 /nfs/dbraw/zinc/97/41/01/458974101.db2.gz KICSHNMOEGZHRX-IRXDYDNUSA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556573481 458974105 /nfs/dbraw/zinc/97/41/05/458974105.db2.gz KICSHNMOEGZHRX-IRXDYDNUSA-N 2 2 344.421 3.245 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000531965101 459008445 /nfs/dbraw/zinc/00/84/45/459008445.db2.gz FAGJTMYSBJKLHU-IEBWSBKVSA-N 2 2 327.472 3.227 20 0 EGADLP C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442789963 459036075 /nfs/dbraw/zinc/03/60/75/459036075.db2.gz ZMUAZHSPYXLAGQ-DFNIBXOVSA-N 2 2 343.515 3.029 20 0 EGADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442789963 459036079 /nfs/dbraw/zinc/03/60/79/459036079.db2.gz ZMUAZHSPYXLAGQ-DFNIBXOVSA-N 2 2 343.515 3.029 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000520219092 459041209 /nfs/dbraw/zinc/04/12/09/459041209.db2.gz QXZJQIDWTMMIFL-NRFANRHFSA-N 2 2 349.478 3.057 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000532202057 459045518 /nfs/dbraw/zinc/04/55/18/459045518.db2.gz FMWDDXHZTOHBJR-ROUUACIJSA-N 2 2 325.541 3.124 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Br)cn1 ZINC000567299007 459081599 /nfs/dbraw/zinc/08/15/99/459081599.db2.gz KXIBJXSTNRYFGB-LBPRGKRZSA-N 2 2 345.244 3.385 20 0 EGADLP CC(C)c1nc(NCc2c[nH+]c3n2CCCC3)cc(C(C)(C)C)[nH+]1 ZINC000557687960 459099332 /nfs/dbraw/zinc/09/93/32/459099332.db2.gz SWRGWGZFUYSGOH-UHFFFAOYSA-N 2 2 327.476 3.464 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000532537893 459107469 /nfs/dbraw/zinc/10/74/69/459107469.db2.gz UMHFUDKYUQVQPU-UHFFFAOYSA-N 3 2 326.488 3.425 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000532537893 459107473 /nfs/dbraw/zinc/10/74/73/459107473.db2.gz UMHFUDKYUQVQPU-UHFFFAOYSA-N 3 2 326.488 3.425 20 0 EGADLP Cc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000567456308 459109483 /nfs/dbraw/zinc/10/94/83/459109483.db2.gz HZQLJXLITKWSQL-IAGOWNOFSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000567456308 459109486 /nfs/dbraw/zinc/10/94/86/459109486.db2.gz HZQLJXLITKWSQL-IAGOWNOFSA-N 2 2 326.444 3.009 20 0 EGADLP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000594624415 459117165 /nfs/dbraw/zinc/11/71/65/459117165.db2.gz OSVMIEDBDPJWBH-LJQANCHMSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)n1cc[nH+]c1 ZINC000521255862 459135911 /nfs/dbraw/zinc/13/59/11/459135911.db2.gz JECDDYRJSGZENY-AWEZNQCLSA-N 2 2 347.488 3.305 20 0 EGADLP C1=CC[C@H](CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000532786141 459144624 /nfs/dbraw/zinc/14/46/24/459144624.db2.gz PXUANQUKBHRENC-INIZCTEOSA-N 2 2 340.471 3.206 20 0 EGADLP CCc1ccc(-c2ccc(C[NH2+]C3(CCO)CC[NH+](C)CC3)o2)cc1 ZINC000578142780 459151713 /nfs/dbraw/zinc/15/17/13/459151713.db2.gz UTGCOZZYBJGILR-UHFFFAOYSA-N 2 2 342.483 3.445 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567724055 459154663 /nfs/dbraw/zinc/15/46/63/459154663.db2.gz WIPGCMRFYCQUSN-VXGBXAGGSA-N 2 2 332.366 3.072 20 0 EGADLP CC[NH+](CC)CCCC1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000578158589 459155183 /nfs/dbraw/zinc/15/51/83/459155183.db2.gz DOAGPBSTFLZVJC-UHFFFAOYSA-N 2 2 346.519 3.486 20 0 EGADLP Fc1ccccc1Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000479782133 459166206 /nfs/dbraw/zinc/16/62/06/459166206.db2.gz PMIGVGTZIYEPES-GASCZTMLSA-N 2 2 330.378 3.408 20 0 EGADLP Fc1ccccc1Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000479782133 459166210 /nfs/dbraw/zinc/16/62/10/459166210.db2.gz PMIGVGTZIYEPES-GASCZTMLSA-N 2 2 330.378 3.408 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000479877568 459171526 /nfs/dbraw/zinc/17/15/26/459171526.db2.gz WMSNOIJFZSPOIQ-OFQRWUPVSA-N 2 2 341.421 3.214 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000479877568 459171533 /nfs/dbraw/zinc/17/15/33/459171533.db2.gz WMSNOIJFZSPOIQ-OFQRWUPVSA-N 2 2 341.421 3.214 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000522010974 459204076 /nfs/dbraw/zinc/20/40/76/459204076.db2.gz JTVGVEFKORZSMZ-UHFFFAOYSA-N 2 2 326.419 3.422 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000522010974 459204082 /nfs/dbraw/zinc/20/40/82/459204082.db2.gz JTVGVEFKORZSMZ-UHFFFAOYSA-N 2 2 326.419 3.422 20 0 EGADLP CSCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595068686 459234410 /nfs/dbraw/zinc/23/44/10/459234410.db2.gz JUDBDCFXLSXCCS-FUHWJXTLSA-N 2 2 333.545 3.415 20 0 EGADLP CSCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595068686 459234417 /nfs/dbraw/zinc/23/44/17/459234417.db2.gz JUDBDCFXLSXCCS-FUHWJXTLSA-N 2 2 333.545 3.415 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000595074283 459237667 /nfs/dbraw/zinc/23/76/67/459237667.db2.gz WTGBFFJFUGMZNZ-YVBRAAJESA-N 2 2 348.556 3.176 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000595074283 459237669 /nfs/dbraw/zinc/23/76/69/459237669.db2.gz WTGBFFJFUGMZNZ-YVBRAAJESA-N 2 2 348.556 3.176 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447107 459237718 /nfs/dbraw/zinc/23/77/18/459237718.db2.gz ATWOGWIMQMZKFK-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447107 459237723 /nfs/dbraw/zinc/23/77/23/459237723.db2.gz ATWOGWIMQMZKFK-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447107 459237728 /nfs/dbraw/zinc/23/77/28/459237728.db2.gz ATWOGWIMQMZKFK-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447107 459237733 /nfs/dbraw/zinc/23/77/33/459237733.db2.gz ATWOGWIMQMZKFK-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097546 459244240 /nfs/dbraw/zinc/24/42/40/459244240.db2.gz WVUFXGCVHWBRIX-ZYSHUDEJSA-N 2 2 330.472 3.242 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097546 459244245 /nfs/dbraw/zinc/24/42/45/459244245.db2.gz WVUFXGCVHWBRIX-ZYSHUDEJSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCc1c[nH+]cn1C ZINC000590955063 459281636 /nfs/dbraw/zinc/28/16/36/459281636.db2.gz SBXPZTZNEXYLJA-KRWDZBQOSA-N 2 2 349.862 3.242 20 0 EGADLP CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCc1c[nH+]cn1C ZINC000590955063 459281640 /nfs/dbraw/zinc/28/16/40/459281640.db2.gz SBXPZTZNEXYLJA-KRWDZBQOSA-N 2 2 349.862 3.242 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCOC2=O)c1 ZINC000496695638 459290532 /nfs/dbraw/zinc/29/05/32/459290532.db2.gz DFHOZYSFASZGPU-WMLDXEAASA-N 2 2 331.460 3.072 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCOC2=O)c1 ZINC000496695636 459290689 /nfs/dbraw/zinc/29/06/89/459290689.db2.gz DFHOZYSFASZGPU-RHSMWYFYSA-N 2 2 331.460 3.072 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127361 459293205 /nfs/dbraw/zinc/29/32/05/459293205.db2.gz DMXXITZDYWJGDB-UHFFFAOYSA-N 2 2 346.519 3.099 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@]3(C)CC[N@H+](Cc4ccccc4)C3)n21 ZINC000582126535 459314190 /nfs/dbraw/zinc/31/41/90/459314190.db2.gz ISIZRTBSOLGLQV-OAQYLSRUSA-N 2 2 334.467 3.397 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@]3(C)CC[N@@H+](Cc4ccccc4)C3)n21 ZINC000582126535 459314194 /nfs/dbraw/zinc/31/41/94/459314194.db2.gz ISIZRTBSOLGLQV-OAQYLSRUSA-N 2 2 334.467 3.397 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508990 459328491 /nfs/dbraw/zinc/32/84/91/459328491.db2.gz MWBINUUTTYLJTO-LJQANCHMSA-N 2 2 332.488 3.218 20 0 EGADLP O=[S@](CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccccc1 ZINC000595512318 459330862 /nfs/dbraw/zinc/33/08/62/459330862.db2.gz XLNCJTACPNRAJG-XMMPIXPASA-N 2 2 342.508 3.048 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000496877045 459355389 /nfs/dbraw/zinc/35/53/89/459355389.db2.gz SVGNIHHYCSOTPA-PMPSAXMXSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000496877045 459355393 /nfs/dbraw/zinc/35/53/93/459355393.db2.gz SVGNIHHYCSOTPA-PMPSAXMXSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000582661916 459404254 /nfs/dbraw/zinc/40/42/54/459404254.db2.gz MMNXDEHHPZLDIQ-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000582661916 459404263 /nfs/dbraw/zinc/40/42/63/459404263.db2.gz MMNXDEHHPZLDIQ-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000484494953 459417360 /nfs/dbraw/zinc/41/73/60/459417360.db2.gz NADQZIZVIZKVMH-HNAYVOBHSA-N 2 2 332.488 3.446 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000484494953 459417366 /nfs/dbraw/zinc/41/73/66/459417366.db2.gz NADQZIZVIZKVMH-HNAYVOBHSA-N 2 2 332.488 3.446 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907109 459434311 /nfs/dbraw/zinc/43/43/11/459434311.db2.gz IVEBORUPYDAFHO-BZSNNMDCSA-N 2 2 325.541 3.122 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907109 459434318 /nfs/dbraw/zinc/43/43/18/459434318.db2.gz IVEBORUPYDAFHO-BZSNNMDCSA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907109 459434326 /nfs/dbraw/zinc/43/43/26/459434326.db2.gz IVEBORUPYDAFHO-BZSNNMDCSA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907109 459434331 /nfs/dbraw/zinc/43/43/31/459434331.db2.gz IVEBORUPYDAFHO-BZSNNMDCSA-N 2 2 325.541 3.122 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907120 459434449 /nfs/dbraw/zinc/43/44/49/459434449.db2.gz IVEBORUPYDAFHO-SQNIBIBYSA-N 2 2 325.541 3.122 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907120 459434453 /nfs/dbraw/zinc/43/44/53/459434453.db2.gz IVEBORUPYDAFHO-SQNIBIBYSA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@@H]1C ZINC000484907120 459434455 /nfs/dbraw/zinc/43/44/55/459434455.db2.gz IVEBORUPYDAFHO-SQNIBIBYSA-N 2 2 325.541 3.122 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867592 459457390 /nfs/dbraw/zinc/45/73/90/459457390.db2.gz PWGKPLIDPKVZJD-SFHVURJKSA-N 2 2 327.428 3.322 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867592 459457394 /nfs/dbraw/zinc/45/73/94/459457394.db2.gz PWGKPLIDPKVZJD-SFHVURJKSA-N 2 2 327.428 3.322 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867253 459458137 /nfs/dbraw/zinc/45/81/37/459458137.db2.gz NJXCOIMEYGDPLA-OAHLLOKOSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867253 459458141 /nfs/dbraw/zinc/45/81/41/459458141.db2.gz NJXCOIMEYGDPLA-OAHLLOKOSA-N 2 2 332.835 3.121 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866918 459458597 /nfs/dbraw/zinc/45/85/97/459458597.db2.gz JPSCAKUZMZSQBC-MOPGFXCFSA-N 2 2 340.471 3.130 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866918 459458600 /nfs/dbraw/zinc/45/86/00/459458600.db2.gz JPSCAKUZMZSQBC-MOPGFXCFSA-N 2 2 340.471 3.130 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591869086 459459229 /nfs/dbraw/zinc/45/92/29/459459229.db2.gz IVBOGLMEISVTQC-LJQANCHMSA-N 2 2 340.471 3.106 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591869086 459459234 /nfs/dbraw/zinc/45/92/34/459459234.db2.gz IVBOGLMEISVTQC-LJQANCHMSA-N 2 2 340.471 3.106 20 0 EGADLP Cc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000561627687 459470402 /nfs/dbraw/zinc/47/04/02/459470402.db2.gz CPYXEFVLSZORCN-SFHVURJKSA-N 2 2 339.439 3.252 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000569686256 459493829 /nfs/dbraw/zinc/49/38/29/459493829.db2.gz HYMAAFALEJHZOX-JKSUJKDBSA-N 2 2 330.394 3.035 20 0 EGADLP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1F ZINC000562019061 459503422 /nfs/dbraw/zinc/50/34/22/459503422.db2.gz DFCAFPUPJNELRQ-CJNGLKHVSA-N 2 2 328.859 3.488 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000542312789 459547039 /nfs/dbraw/zinc/54/70/39/459547039.db2.gz FDDSAYNBEKNXJV-BVYCBKJFSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000542312789 459547043 /nfs/dbraw/zinc/54/70/43/459547043.db2.gz FDDSAYNBEKNXJV-BVYCBKJFSA-N 2 2 338.495 3.405 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535702 459555082 /nfs/dbraw/zinc/55/50/82/459555082.db2.gz YYCRQFCVSSGEAQ-ZJOUEHCJSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535702 459555090 /nfs/dbraw/zinc/55/50/90/459555090.db2.gz YYCRQFCVSSGEAQ-ZJOUEHCJSA-N 2 2 347.547 3.158 20 0 EGADLP Cc1cc(NC[C@H](O)C[N@@H+](C)C2CC2)ccc1Oc1cc[nH+]cc1 ZINC000583560374 459558369 /nfs/dbraw/zinc/55/83/69/459558369.db2.gz IGVDFMJQBVAHGZ-KRWDZBQOSA-N 2 2 327.428 3.049 20 0 EGADLP Cc1cc(NC[C@H](O)C[N@H+](C)C2CC2)ccc1Oc1cc[nH+]cc1 ZINC000583560374 459558373 /nfs/dbraw/zinc/55/83/73/459558373.db2.gz IGVDFMJQBVAHGZ-KRWDZBQOSA-N 2 2 327.428 3.049 20 0 EGADLP c1ncn(-c2ccc(C[N@@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000583630657 459571034 /nfs/dbraw/zinc/57/10/34/459571034.db2.gz NFMWHILIHQSKJH-NRFANRHFSA-N 2 2 347.466 3.022 20 0 EGADLP c1ncn(-c2ccc(C[N@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)cc2)n1 ZINC000583630657 459571038 /nfs/dbraw/zinc/57/10/38/459571038.db2.gz NFMWHILIHQSKJH-NRFANRHFSA-N 2 2 347.466 3.022 20 0 EGADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)Cc1ccc2ccccc2c1 ZINC000583929578 459620415 /nfs/dbraw/zinc/62/04/15/459620415.db2.gz RERAAZKVVSTVDC-NRFANRHFSA-N 2 2 349.478 3.108 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000562748974 459640731 /nfs/dbraw/zinc/64/07/31/459640731.db2.gz BMMIVMPTBZPGRO-KDOFPFPSSA-N 2 2 338.411 3.090 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000573219339 459644806 /nfs/dbraw/zinc/64/48/06/459644806.db2.gz YEQSPVMVPQDUAK-IFXJQAMLSA-N 2 2 341.430 3.019 20 0 EGADLP Cc1[nH+]cccc1Cc1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000573310531 459656584 /nfs/dbraw/zinc/65/65/84/459656584.db2.gz CDPNQJNJDSTVKN-SFHVURJKSA-N 2 2 349.438 3.138 20 0 EGADLP Cc1[nH+]cccc1Cc1noc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000573310531 459656589 /nfs/dbraw/zinc/65/65/89/459656589.db2.gz CDPNQJNJDSTVKN-SFHVURJKSA-N 2 2 349.438 3.138 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000573339774 459662510 /nfs/dbraw/zinc/66/25/10/459662510.db2.gz XEGUGQXMXCVELI-CVEARBPZSA-N 2 2 335.467 3.253 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000527631211 459677161 /nfs/dbraw/zinc/67/71/61/459677161.db2.gz KLBYNHPDTFAANM-CYBMUJFWSA-N 2 2 336.423 3.213 20 0 EGADLP COC1CCC(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000543635602 459678760 /nfs/dbraw/zinc/67/87/60/459678760.db2.gz IXZUCAMACMBESF-NYLDSWQDSA-N 2 2 330.516 3.488 20 0 EGADLP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000543635602 459678766 /nfs/dbraw/zinc/67/87/66/459678766.db2.gz IXZUCAMACMBESF-NYLDSWQDSA-N 2 2 330.516 3.488 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000563014317 459695803 /nfs/dbraw/zinc/69/58/03/459695803.db2.gz SQDRODJWZXCJRN-YADHBBJMSA-N 2 2 338.495 3.090 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000563014317 459695808 /nfs/dbraw/zinc/69/58/08/459695808.db2.gz SQDRODJWZXCJRN-YADHBBJMSA-N 2 2 338.495 3.090 20 0 EGADLP Cc1ccc([C@H]([NH2+]CCc2cc[nH+]cc2C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000573718017 459724088 /nfs/dbraw/zinc/72/40/88/459724088.db2.gz NGEGIGJBASSNJR-VQIMIIECSA-N 2 2 346.496 3.005 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c(OC)n1 ZINC000573966631 459763041 /nfs/dbraw/zinc/76/30/41/459763041.db2.gz XAQZDNGALMZEFH-CRAIPNDOSA-N 2 2 347.503 3.232 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978516 459764540 /nfs/dbraw/zinc/76/45/40/459764540.db2.gz BCJNWHZXJXKCNN-HOCLYGCPSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978516 459764545 /nfs/dbraw/zinc/76/45/45/459764545.db2.gz BCJNWHZXJXKCNN-HOCLYGCPSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)ccn12 ZINC000584662619 459780110 /nfs/dbraw/zinc/78/01/10/459780110.db2.gz DXGXZGBWGRHWJA-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000584666272 459780451 /nfs/dbraw/zinc/78/04/51/459780451.db2.gz PLAAJOBTVQMSAR-UHFFFAOYSA-N 2 2 330.476 3.037 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1CNCc1[nH]c(C)c(C)[nH+]1 ZINC000584666272 459780455 /nfs/dbraw/zinc/78/04/55/459780455.db2.gz PLAAJOBTVQMSAR-UHFFFAOYSA-N 2 2 330.476 3.037 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Cl)c1 ZINC000574749403 459866485 /nfs/dbraw/zinc/86/64/85/459866485.db2.gz ZSZKSAXHYUMNKY-SWLSCSKDSA-N 2 2 333.867 3.022 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000597235825 459888362 /nfs/dbraw/zinc/88/83/62/459888362.db2.gz JQUMZGAVCJMJAP-IEBWSBKVSA-N 2 2 327.428 3.084 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+](Cc2ccccc2)C1 ZINC000575219240 459951383 /nfs/dbraw/zinc/95/13/83/459951383.db2.gz ZTYJRRQBPIUKTJ-GFOJFJKKSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000575219240 459951389 /nfs/dbraw/zinc/95/13/89/459951389.db2.gz ZTYJRRQBPIUKTJ-GFOJFJKKSA-N 2 2 330.516 3.285 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCSc2ccccc21 ZINC000588689440 459971888 /nfs/dbraw/zinc/97/18/88/459971888.db2.gz ZLAVFCJBJZPQAT-HKUYNNGSSA-N 2 2 342.508 3.306 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCSc2ccccc21 ZINC000588689440 459971895 /nfs/dbraw/zinc/97/18/95/459971895.db2.gz ZLAVFCJBJZPQAT-HKUYNNGSSA-N 2 2 342.508 3.306 20 0 EGADLP CCC[NH+]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)CC1 ZINC000610159442 460073248 /nfs/dbraw/zinc/07/32/48/460073248.db2.gz VARVVWHESUZAMR-UHFFFAOYSA-N 2 2 341.455 3.252 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000576337132 460120732 /nfs/dbraw/zinc/12/07/32/460120732.db2.gz ACHOATWZZKSQIA-HNNXBMFYSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000576337132 460120742 /nfs/dbraw/zinc/12/07/42/460120742.db2.gz ACHOATWZZKSQIA-HNNXBMFYSA-N 2 2 326.843 3.166 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000576476079 460150928 /nfs/dbraw/zinc/15/09/28/460150928.db2.gz RZFJEKHSAXAQAV-UHFFFAOYSA-N 2 2 330.394 3.030 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(C)(C)[C@H]3C3CC3)c2cc1C ZINC000576794995 460212850 /nfs/dbraw/zinc/21/28/50/460212850.db2.gz DJSJRYJIXKWVSI-VQIMIIECSA-N 2 2 327.472 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(C)(C)[C@H]3C3CC3)c2cc1C ZINC000576794995 460212858 /nfs/dbraw/zinc/21/28/58/460212858.db2.gz DJSJRYJIXKWVSI-VQIMIIECSA-N 2 2 327.472 3.134 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000576811664 460217583 /nfs/dbraw/zinc/21/75/83/460217583.db2.gz KKPOUFHCUDQLCB-HOTGVXAUSA-N 3 2 349.485 3.361 20 0 EGADLP FC1(F)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000625772093 460257882 /nfs/dbraw/zinc/25/78/82/460257882.db2.gz MXUQWGYCHYVLDE-UHFFFAOYSA-N 2 2 337.458 3.320 20 0 EGADLP FC1(F)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000625772093 460257883 /nfs/dbraw/zinc/25/78/83/460257883.db2.gz MXUQWGYCHYVLDE-UHFFFAOYSA-N 2 2 337.458 3.320 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000634680559 460473029 /nfs/dbraw/zinc/47/30/29/460473029.db2.gz VXKVUPIFUWUADF-IEBWSBKVSA-N 2 2 346.515 3.434 20 0 EGADLP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000631678642 460505107 /nfs/dbraw/zinc/50/51/07/460505107.db2.gz GKYPYUNTXOLDIW-NRFANRHFSA-N 2 2 345.531 3.357 20 0 EGADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623418193 460538399 /nfs/dbraw/zinc/53/83/99/460538399.db2.gz GUEMTBBEYYHGMH-CQSZACIVSA-N 2 2 348.434 3.500 20 0 EGADLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)CC(F)F ZINC000623831654 460734525 /nfs/dbraw/zinc/73/45/25/460734525.db2.gz QSORWEVODSSCPZ-UHFFFAOYSA-N 2 2 345.865 3.091 20 0 EGADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623879856 460758614 /nfs/dbraw/zinc/75/86/14/460758614.db2.gz PXTLXNRUPQUDAT-OAHLLOKOSA-N 2 2 331.485 3.251 20 0 EGADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629514865 460790212 /nfs/dbraw/zinc/79/02/12/460790212.db2.gz USJCOHWZGXDRHI-DZGCQCFKSA-N 2 2 338.377 3.022 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H]1C(F)(F)F ZINC000629559695 460807930 /nfs/dbraw/zinc/80/79/30/460807930.db2.gz BRPPHJWOHFRMNN-BXKDBHETSA-N 2 2 341.299 3.060 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H]1C(F)(F)F ZINC000629559695 460807934 /nfs/dbraw/zinc/80/79/34/460807934.db2.gz BRPPHJWOHFRMNN-BXKDBHETSA-N 2 2 341.299 3.060 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561571 460809581 /nfs/dbraw/zinc/80/95/81/460809581.db2.gz JMKGSYMFPYBPIB-JQWIXIFHSA-N 2 2 338.776 3.481 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561571 460809589 /nfs/dbraw/zinc/80/95/89/460809589.db2.gz JMKGSYMFPYBPIB-JQWIXIFHSA-N 2 2 338.776 3.481 20 0 EGADLP COc1ccc(-c2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)on2)cc1 ZINC000607358461 460831130 /nfs/dbraw/zinc/83/11/30/460831130.db2.gz HGANNJHTLCTZTO-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)on2)cc1 ZINC000607358461 460831142 /nfs/dbraw/zinc/83/11/42/460831142.db2.gz HGANNJHTLCTZTO-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)on2)cc1 ZINC000607358461 460831148 /nfs/dbraw/zinc/83/11/48/460831148.db2.gz HGANNJHTLCTZTO-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)on2)cc1 ZINC000607358461 460831157 /nfs/dbraw/zinc/83/11/57/460831157.db2.gz HGANNJHTLCTZTO-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000629650177 460846248 /nfs/dbraw/zinc/84/62/48/460846248.db2.gz QEJREUHUSVIDAB-PMACEKPBSA-N 2 2 338.426 3.337 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000629651544 460847364 /nfs/dbraw/zinc/84/73/64/460847364.db2.gz SNFVWNNTGUYATA-UHFFFAOYSA-N 2 2 332.419 3.194 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000629651544 460847368 /nfs/dbraw/zinc/84/73/68/460847368.db2.gz SNFVWNNTGUYATA-UHFFFAOYSA-N 2 2 332.419 3.194 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624094343 460855392 /nfs/dbraw/zinc/85/53/92/460855392.db2.gz CDCHVFSBFUGLQI-WMLDXEAASA-N 2 2 334.414 3.252 20 0 EGADLP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676443 460862529 /nfs/dbraw/zinc/86/25/29/460862529.db2.gz UOWRADCPHDFRFU-SWLSCSKDSA-N 2 2 334.851 3.211 20 0 EGADLP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676443 460862534 /nfs/dbraw/zinc/86/25/34/460862534.db2.gz UOWRADCPHDFRFU-SWLSCSKDSA-N 2 2 334.851 3.211 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702953 460875934 /nfs/dbraw/zinc/87/59/34/460875934.db2.gz XSMMWGAXFSNBTA-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702953 460875940 /nfs/dbraw/zinc/87/59/40/460875940.db2.gz XSMMWGAXFSNBTA-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H](c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1)N1CC[NH2+]CC1 ZINC000629709985 460881704 /nfs/dbraw/zinc/88/17/04/460881704.db2.gz PMIPHLIRTXFJHQ-QGZVFWFLSA-N 2 2 336.483 3.315 20 0 EGADLP C[NH+](C)CCc1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000629731723 460893212 /nfs/dbraw/zinc/89/32/12/460893212.db2.gz NMGKQNBZKAQZBY-UHFFFAOYSA-N 2 2 327.497 3.406 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000607946400 460944793 /nfs/dbraw/zinc/94/47/93/460944793.db2.gz CZKMSEZKFZRSPF-CRAIPNDOSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000607946400 460944800 /nfs/dbraw/zinc/94/48/00/460944800.db2.gz CZKMSEZKFZRSPF-CRAIPNDOSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652332568 461133885 /nfs/dbraw/zinc/13/38/85/461133885.db2.gz KQWPWWUBLUVATK-DNVCBOLYSA-N 2 2 348.450 3.299 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2[nH+]1 ZINC000668150859 461138079 /nfs/dbraw/zinc/13/80/79/461138079.db2.gz KLNJPTSPGJCXBD-SFHVURJKSA-N 2 2 349.438 3.163 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2[nH+]1 ZINC000668150859 461138083 /nfs/dbraw/zinc/13/80/83/461138083.db2.gz KLNJPTSPGJCXBD-SFHVURJKSA-N 2 2 349.438 3.163 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2[nH+]1 ZINC000668151900 461138112 /nfs/dbraw/zinc/13/81/12/461138112.db2.gz RWRUUJYZYPVJJI-MRXNPFEDSA-N 2 2 343.475 3.419 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2[nH+]1 ZINC000668151900 461138117 /nfs/dbraw/zinc/13/81/17/461138117.db2.gz RWRUUJYZYPVJJI-MRXNPFEDSA-N 2 2 343.475 3.419 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCC[NH+]3CCCCCC3)cc2[nH+]1 ZINC000668151222 461138359 /nfs/dbraw/zinc/13/83/59/461138359.db2.gz WXFKIOAXDRSIFY-UHFFFAOYSA-N 2 2 329.448 3.030 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000652341201 461140449 /nfs/dbraw/zinc/14/04/49/461140449.db2.gz PWJKSJCDVQOPMY-QINHECLXSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1cn2ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc2[nH+]1 ZINC000668155510 461142039 /nfs/dbraw/zinc/14/20/39/461142039.db2.gz RGVQIYIKSJQPEG-HNNXBMFYSA-N 2 2 331.464 3.131 20 0 EGADLP Cc1cn2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2[nH+]1 ZINC000668156265 461142264 /nfs/dbraw/zinc/14/22/64/461142264.db2.gz KYVDEZFIVPGMPR-UHFFFAOYSA-N 2 2 341.459 3.171 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1CC[NH3+] ZINC000652356161 461148834 /nfs/dbraw/zinc/14/88/34/461148834.db2.gz UVRHEQKEQSTNPW-DYVFJYSZSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1CC[NH3+] ZINC000652356161 461148842 /nfs/dbraw/zinc/14/88/42/461148842.db2.gz UVRHEQKEQSTNPW-DYVFJYSZSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1CC[NH3+] ZINC000652356160 461149675 /nfs/dbraw/zinc/14/96/75/461149675.db2.gz UVRHEQKEQSTNPW-CXAGYDPISA-N 2 2 334.414 3.100 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@@H]1CC[NH3+] ZINC000652356160 461149678 /nfs/dbraw/zinc/14/96/78/461149678.db2.gz UVRHEQKEQSTNPW-CXAGYDPISA-N 2 2 334.414 3.100 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)ccc1F ZINC000652356003 461149800 /nfs/dbraw/zinc/14/98/00/461149800.db2.gz PSQSBRQTAUDZAR-MLGOLLRUSA-N 2 2 332.423 3.133 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)ccc1F ZINC000652356003 461149809 /nfs/dbraw/zinc/14/98/09/461149809.db2.gz PSQSBRQTAUDZAR-MLGOLLRUSA-N 2 2 332.423 3.133 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269981 461157192 /nfs/dbraw/zinc/15/71/92/461157192.db2.gz FVFFDOKJCSJIBL-TZIWHRDSSA-N 3 2 340.515 3.025 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269981 461157199 /nfs/dbraw/zinc/15/71/99/461157199.db2.gz FVFFDOKJCSJIBL-TZIWHRDSSA-N 3 2 340.515 3.025 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ncc(Br)s2)[C@@H]1CCC[NH3+] ZINC000662316140 461187772 /nfs/dbraw/zinc/18/77/72/461187772.db2.gz KFKZZXRETYFTCD-GHMZBOCLSA-N 2 2 332.311 3.245 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ncc(Br)s2)[C@@H]1CCC[NH3+] ZINC000662316140 461187776 /nfs/dbraw/zinc/18/77/76/461187776.db2.gz KFKZZXRETYFTCD-GHMZBOCLSA-N 2 2 332.311 3.245 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180568 461291416 /nfs/dbraw/zinc/29/14/16/461291416.db2.gz WTJBKIVUBRIQFY-PBHICJAKSA-N 2 2 331.410 3.429 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180568 461291424 /nfs/dbraw/zinc/29/14/24/461291424.db2.gz WTJBKIVUBRIQFY-PBHICJAKSA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180568 461291430 /nfs/dbraw/zinc/29/14/30/461291430.db2.gz WTJBKIVUBRIQFY-PBHICJAKSA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@@H]21 ZINC000638180568 461291436 /nfs/dbraw/zinc/29/14/36/461291436.db2.gz WTJBKIVUBRIQFY-PBHICJAKSA-N 2 2 331.410 3.429 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000636864132 461304796 /nfs/dbraw/zinc/30/47/96/461304796.db2.gz FNFNPZXNKNRJJJ-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000630821187 461343499 /nfs/dbraw/zinc/34/34/99/461343499.db2.gz BQMTWOOVTSOYFD-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655689019 461364520 /nfs/dbraw/zinc/36/45/20/461364520.db2.gz CZHHBDQWRDHJDI-CTNGQTDRSA-N 2 2 337.467 3.014 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655694711 461367814 /nfs/dbraw/zinc/36/78/14/461367814.db2.gz KCWODLRJTVOJPS-QFBILLFUSA-N 2 2 332.488 3.378 20 0 EGADLP CC(C)C[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)n1cc[nH+]c1 ZINC000638328956 461371523 /nfs/dbraw/zinc/37/15/23/461371523.db2.gz OBFCUDKGDJWRNT-AWEZNQCLSA-N 2 2 347.488 3.033 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000655708624 461378878 /nfs/dbraw/zinc/37/88/78/461378878.db2.gz RHRDWCAIQKXXSK-UHFFFAOYSA-N 2 2 328.435 3.036 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cs2)c(OC)c1 ZINC000641802052 461379625 /nfs/dbraw/zinc/37/96/25/461379625.db2.gz HHOZFROTZYNSOD-JKSUJKDBSA-N 2 2 347.484 3.043 20 0 EGADLP Cc1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655715116 461384900 /nfs/dbraw/zinc/38/49/00/461384900.db2.gz GYHAYIFDFYECHM-QGZVFWFLSA-N 2 2 328.456 3.474 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000655716808 461384993 /nfs/dbraw/zinc/38/49/93/461384993.db2.gz PCYATPBLZSLSTA-CYBMUJFWSA-N 2 2 329.835 3.209 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000638374677 461394709 /nfs/dbraw/zinc/39/47/09/461394709.db2.gz PLWDTACVSPUFMG-IAGOWNOFSA-N 2 2 341.503 3.066 20 0 EGADLP CCc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655725685 461394809 /nfs/dbraw/zinc/39/48/09/461394809.db2.gz XGKLOISNBUDGOT-AZUAARDMSA-N 2 2 344.499 3.306 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398106 /nfs/dbraw/zinc/39/81/06/461398106.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398114 /nfs/dbraw/zinc/39/81/14/461398114.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398123 /nfs/dbraw/zinc/39/81/23/461398123.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382205 461398129 /nfs/dbraw/zinc/39/81/29/461398129.db2.gz TWJDDKWPUBUWSB-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP CCOc1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737026 461405475 /nfs/dbraw/zinc/40/54/75/461405475.db2.gz JIETVKWUQSKICC-KRWDZBQOSA-N 2 2 338.879 3.082 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)C1 ZINC000668740198 461409173 /nfs/dbraw/zinc/40/91/73/461409173.db2.gz GNOHWWSLHXKUSW-LJQANCHMSA-N 2 2 342.508 3.446 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)C1 ZINC000668740198 461409177 /nfs/dbraw/zinc/40/91/77/461409177.db2.gz GNOHWWSLHXKUSW-LJQANCHMSA-N 2 2 342.508 3.446 20 0 EGADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)o2)cc1 ZINC000668741558 461411200 /nfs/dbraw/zinc/41/12/00/461411200.db2.gz UKGVXGZMYHOPIH-IBGZPJMESA-N 2 2 340.467 3.286 20 0 EGADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)o2)cc1 ZINC000668741558 461411209 /nfs/dbraw/zinc/41/12/09/461411209.db2.gz UKGVXGZMYHOPIH-IBGZPJMESA-N 2 2 340.467 3.286 20 0 EGADLP Brc1c2ccccc2oc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000655760997 461426958 /nfs/dbraw/zinc/42/69/58/461426958.db2.gz CWODVKLPQQYCFA-LLVKDONJSA-N 2 2 346.228 3.496 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653058351 461479240 /nfs/dbraw/zinc/47/92/40/461479240.db2.gz PCXJJIUKTQEZIW-INIZCTEOSA-N 2 2 327.428 3.005 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(F)c1 ZINC000631035767 461489477 /nfs/dbraw/zinc/48/94/77/461489477.db2.gz WHEGXTVMBCZAKN-UHFFFAOYSA-N 2 2 328.431 3.256 20 0 EGADLP CCC1(CC)CCC([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000655845581 461494333 /nfs/dbraw/zinc/49/43/33/461494333.db2.gz KZVVXLQSUBPFON-CRAIPNDOSA-N 2 2 332.492 3.078 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848530 461495180 /nfs/dbraw/zinc/49/51/80/461495180.db2.gz HHKDBDUBSVTJRP-ZYSHUDEJSA-N 2 2 329.488 3.056 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848530 461495185 /nfs/dbraw/zinc/49/51/85/461495185.db2.gz HHKDBDUBSVTJRP-ZYSHUDEJSA-N 2 2 329.488 3.056 20 0 EGADLP CCC[C@@H](C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)OC ZINC000638638266 461514218 /nfs/dbraw/zinc/51/42/18/461514218.db2.gz BSXRVCLCBDNJRJ-MJGOQNOKSA-N 2 2 334.504 3.291 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638637890 461514820 /nfs/dbraw/zinc/51/48/20/461514820.db2.gz XVVZASBTEBAMMA-UHFFFAOYSA-N 2 2 334.504 3.323 20 0 EGADLP Clc1c(Br)cccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000631115820 461564133 /nfs/dbraw/zinc/56/41/33/461564133.db2.gz ZOPFMAANGGUPLS-LLVKDONJSA-N 2 2 340.652 3.404 20 0 EGADLP O[C@H]1CC[N@H+](Cc2cccc(N[C@@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140078 461584696 /nfs/dbraw/zinc/58/46/96/461584696.db2.gz SEAMTBYJPKILCZ-QUCCMNQESA-N 2 2 337.467 3.008 20 0 EGADLP O[C@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140078 461584707 /nfs/dbraw/zinc/58/47/07/461584707.db2.gz SEAMTBYJPKILCZ-QUCCMNQESA-N 2 2 337.467 3.008 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000638804504 461588030 /nfs/dbraw/zinc/58/80/30/461588030.db2.gz MPNMDRZDGDQASB-UAGQMJEPSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000638804504 461588042 /nfs/dbraw/zinc/58/80/42/461588042.db2.gz MPNMDRZDGDQASB-UAGQMJEPSA-N 2 2 342.405 3.257 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3nc4c(s3)CCCC4)cn21 ZINC000647262886 461599307 /nfs/dbraw/zinc/59/93/07/461599307.db2.gz WPTDWJYNYCLREJ-UHFFFAOYSA-N 2 2 326.469 3.310 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000643064164 461600329 /nfs/dbraw/zinc/60/03/29/461600329.db2.gz ORSBXDOHPQXSKP-WBVHZDCISA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000643064164 461600338 /nfs/dbraw/zinc/60/03/38/461600338.db2.gz ORSBXDOHPQXSKP-WBVHZDCISA-N 2 2 329.419 3.445 20 0 EGADLP Clc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000643064074 461601714 /nfs/dbraw/zinc/60/17/14/461601714.db2.gz FHYMEQCIZJALAB-GDBMZVCRSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000643064074 461601723 /nfs/dbraw/zinc/60/17/23/461601723.db2.gz FHYMEQCIZJALAB-GDBMZVCRSA-N 2 2 346.862 3.354 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000660194286 461629183 /nfs/dbraw/zinc/62/91/83/461629183.db2.gz HUXILYJRFSPIHG-FQEVSTJZSA-N 2 2 326.484 3.241 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000660194286 461629191 /nfs/dbraw/zinc/62/91/91/461629191.db2.gz HUXILYJRFSPIHG-FQEVSTJZSA-N 2 2 326.484 3.241 20 0 EGADLP COc1ccccc1C1([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000647329337 461637185 /nfs/dbraw/zinc/63/71/85/461637185.db2.gz MFMLNXALFYNUDL-UHFFFAOYSA-N 2 2 337.467 3.334 20 0 EGADLP Cn1ncc2ccc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)cc21 ZINC000643317331 461682989 /nfs/dbraw/zinc/68/29/89/461682989.db2.gz DLQCMKSBZYMQDK-FQEVSTJZSA-N 2 2 334.467 3.328 20 0 EGADLP Cn1ncc2ccc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000643317331 461682996 /nfs/dbraw/zinc/68/29/96/461682996.db2.gz DLQCMKSBZYMQDK-FQEVSTJZSA-N 2 2 334.467 3.328 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)c1 ZINC000653509374 461687591 /nfs/dbraw/zinc/68/75/91/461687591.db2.gz DFUHSHMLLSSOBP-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)c1 ZINC000653509374 461687599 /nfs/dbraw/zinc/68/75/99/461687599.db2.gz DFUHSHMLLSSOBP-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP Cc1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000666615629 461721414 /nfs/dbraw/zinc/72/14/14/461721414.db2.gz AMYDRCJNYZBTBL-CVEARBPZSA-N 2 2 347.507 3.231 20 0 EGADLP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@@H]1C ZINC000663649240 461734017 /nfs/dbraw/zinc/73/40/17/461734017.db2.gz DZCMJQGXXKCGJL-GXFFZTMASA-N 2 2 341.297 3.165 20 0 EGADLP CC[N@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@@H]1C ZINC000663649240 461734024 /nfs/dbraw/zinc/73/40/24/461734024.db2.gz DZCMJQGXXKCGJL-GXFFZTMASA-N 2 2 341.297 3.165 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496801 461734118 /nfs/dbraw/zinc/73/41/18/461734118.db2.gz UFAJGJTWCWPOJX-KDOFPFPSSA-N 2 2 332.879 3.144 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496801 461734129 /nfs/dbraw/zinc/73/41/29/461734129.db2.gz UFAJGJTWCWPOJX-KDOFPFPSSA-N 2 2 332.879 3.144 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467621 461737201 /nfs/dbraw/zinc/73/72/01/461737201.db2.gz DMUSXLYHXJOBRL-DFQSSKMNSA-N 2 2 341.499 3.003 20 0 EGADLP C[N@H+](Cc1cccs1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637847975 461737403 /nfs/dbraw/zinc/73/74/03/461737403.db2.gz QPCDUWUVBXYAPG-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP C[N@@H+](Cc1cccs1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637847975 461737413 /nfs/dbraw/zinc/73/74/13/461737413.db2.gz QPCDUWUVBXYAPG-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506873 461741081 /nfs/dbraw/zinc/74/10/81/461741081.db2.gz DTDQUHCVOSHFBT-XJKSGUPXSA-N 2 2 330.394 3.076 20 0 EGADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506873 461741086 /nfs/dbraw/zinc/74/10/86/461741086.db2.gz DTDQUHCVOSHFBT-XJKSGUPXSA-N 2 2 330.394 3.076 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000663672272 461746468 /nfs/dbraw/zinc/74/64/68/461746468.db2.gz ZMSAFUXOFAEGQA-ZDUSSCGKSA-N 2 2 341.297 3.024 20 0 EGADLP CCCOc1c(Cl)cc(C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647531398 461750581 /nfs/dbraw/zinc/75/05/81/461750581.db2.gz TVYPIIIYJXQGEO-UHFFFAOYSA-N 2 2 326.868 3.451 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])s2)cc1OC ZINC000643529311 461754448 /nfs/dbraw/zinc/75/44/48/461754448.db2.gz YLUGFLABEGYYPN-NEPJUHHUSA-N 2 2 349.500 3.057 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000643527979 461754614 /nfs/dbraw/zinc/75/46/14/461754614.db2.gz WSIXNQXQTSIPCY-JGVFFNPUSA-N 2 2 325.172 3.466 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140433 461756319 /nfs/dbraw/zinc/75/63/19/461756319.db2.gz XNIMISHIYRJKQP-RULNRJAQSA-N 2 2 343.240 3.094 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140433 461756328 /nfs/dbraw/zinc/75/63/28/461756328.db2.gz XNIMISHIYRJKQP-RULNRJAQSA-N 2 2 343.240 3.094 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547832 461760922 /nfs/dbraw/zinc/76/09/22/461760922.db2.gz JOPJVHOEGNHNDG-MXEMCNAFSA-N 3 2 339.527 3.446 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547832 461760924 /nfs/dbraw/zinc/76/09/24/461760924.db2.gz JOPJVHOEGNHNDG-MXEMCNAFSA-N 3 2 339.527 3.446 20 0 EGADLP C[C@@H]1C[NH+](CCCCNc2[nH+]ccc3c(N)cccc32)C[C@@H](C)O1 ZINC000663706047 461765653 /nfs/dbraw/zinc/76/56/53/461765653.db2.gz ZKUNMPPDGVCHBP-HUUCEWRRSA-N 2 2 328.460 3.118 20 0 EGADLP CN(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000643707380 461782924 /nfs/dbraw/zinc/78/29/24/461782924.db2.gz VSYKWPIUXDYGPT-IBGZPJMESA-N 2 2 348.454 3.065 20 0 EGADLP CN(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000643707380 461782928 /nfs/dbraw/zinc/78/29/28/461782928.db2.gz VSYKWPIUXDYGPT-IBGZPJMESA-N 2 2 348.454 3.065 20 0 EGADLP O=C(CCn1cc[nH+]c1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000647654079 461787629 /nfs/dbraw/zinc/78/76/29/461787629.db2.gz ZSKLKUYXANEQFF-UHFFFAOYSA-N 2 2 335.411 3.112 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770378 461795579 /nfs/dbraw/zinc/79/55/79/461795579.db2.gz XDYJWCFLVXGOJH-STQMWFEESA-N 2 2 343.393 3.154 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769715 461795828 /nfs/dbraw/zinc/79/58/28/461795828.db2.gz CTJKNXKIYDGQFL-QGZVFWFLSA-N 2 2 346.906 3.433 20 0 EGADLP CC[C@H](OCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472561 461798681 /nfs/dbraw/zinc/79/86/81/461798681.db2.gz GUALLHZDRKZNBL-RTWAWAEBSA-N 2 2 346.515 3.341 20 0 EGADLP CC[C@H](OCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472561 461798683 /nfs/dbraw/zinc/79/86/83/461798683.db2.gz GUALLHZDRKZNBL-RTWAWAEBSA-N 2 2 346.515 3.341 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CS[C@H](C)C3)CC2)cc1 ZINC000639231602 461816995 /nfs/dbraw/zinc/81/69/95/461816995.db2.gz QBLJBYNENSTLSI-KUHUBIRLSA-N 2 2 347.528 3.093 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000647925671 461888382 /nfs/dbraw/zinc/88/83/82/461888382.db2.gz SFEQXXCZJOOUDA-HXUWFJFHSA-N 2 2 343.515 3.237 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000647927058 461890979 /nfs/dbraw/zinc/89/09/79/461890979.db2.gz XWESCVSJXPQBFK-UHFFFAOYSA-N 2 2 339.439 3.231 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373483 461892904 /nfs/dbraw/zinc/89/29/04/461892904.db2.gz RAZVYDJXQAFQGP-PBZHRCKQSA-N 2 2 338.854 3.044 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373483 461892909 /nfs/dbraw/zinc/89/29/09/461892909.db2.gz RAZVYDJXQAFQGP-PBZHRCKQSA-N 2 2 338.854 3.044 20 0 EGADLP CC(C)c1nn(C)c(N(C)C)c1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374744 461894461 /nfs/dbraw/zinc/89/44/61/461894461.db2.gz KMTZGVKDZFPIFC-UHFFFAOYSA-N 2 2 347.551 3.060 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938755 461895665 /nfs/dbraw/zinc/89/56/65/461895665.db2.gz UEJMOLQWOIUITG-IOASZLSFSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938755 461895673 /nfs/dbraw/zinc/89/56/73/461895673.db2.gz UEJMOLQWOIUITG-IOASZLSFSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647939849 461895926 /nfs/dbraw/zinc/89/59/26/461895926.db2.gz CODBZVCSRRQJEQ-YWPYICTPSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000647939849 461895931 /nfs/dbraw/zinc/89/59/31/461895931.db2.gz CODBZVCSRRQJEQ-YWPYICTPSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647939847 461896099 /nfs/dbraw/zinc/89/60/99/461896099.db2.gz CODBZVCSRRQJEQ-JMSVASOKSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647939847 461896101 /nfs/dbraw/zinc/89/61/01/461896101.db2.gz CODBZVCSRRQJEQ-JMSVASOKSA-N 2 2 343.393 3.092 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccc2ccccc2c1 ZINC000656785353 461896457 /nfs/dbraw/zinc/89/64/57/461896457.db2.gz GUVBMMAWXQMTED-QFIPXVFZSA-N 3 2 331.463 3.275 20 0 EGADLP CC[C@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939810 461896667 /nfs/dbraw/zinc/89/66/67/461896667.db2.gz BQACWSGLNZEHCI-QFBILLFUSA-N 2 2 339.483 3.252 20 0 EGADLP CC[C@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939810 461896672 /nfs/dbraw/zinc/89/66/72/461896672.db2.gz BQACWSGLNZEHCI-QFBILLFUSA-N 2 2 339.483 3.252 20 0 EGADLP FC(F)(F)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656787034 461897481 /nfs/dbraw/zinc/89/74/81/461897481.db2.gz RLGTZZQTPVMLKL-LBPRGKRZSA-N 2 2 333.423 3.374 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647940330 461898266 /nfs/dbraw/zinc/89/82/66/461898266.db2.gz UGFPKKUTEBTVJM-IIDMSEBBSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647940330 461898275 /nfs/dbraw/zinc/89/82/75/461898275.db2.gz UGFPKKUTEBTVJM-IIDMSEBBSA-N 2 2 325.456 3.226 20 0 EGADLP Cc1nc(NCCCC[N@@H+](C)C2CC2)c(Br)c(C)[nH+]1 ZINC000663995018 461906390 /nfs/dbraw/zinc/90/63/90/461906390.db2.gz XBLITFPOJTZALY-UHFFFAOYSA-N 2 2 327.270 3.142 20 0 EGADLP Cc1nc(NCCCC[N@H+](C)C2CC2)c(Br)c(C)[nH+]1 ZINC000663995018 461906396 /nfs/dbraw/zinc/90/63/96/461906396.db2.gz XBLITFPOJTZALY-UHFFFAOYSA-N 2 2 327.270 3.142 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718140 461909187 /nfs/dbraw/zinc/90/91/87/461909187.db2.gz ZMHVQFDVJNGWQS-OXQOHEQNSA-N 3 2 341.474 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718140 461909193 /nfs/dbraw/zinc/90/91/93/461909193.db2.gz ZMHVQFDVJNGWQS-OXQOHEQNSA-N 3 2 341.474 3.427 20 0 EGADLP c1ccc(C[NH2+]C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000660673964 461918652 /nfs/dbraw/zinc/91/86/52/461918652.db2.gz BFZDQWCXASHEPO-UHFFFAOYSA-N 2 2 338.451 3.212 20 0 EGADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000664043715 461924326 /nfs/dbraw/zinc/92/43/26/461924326.db2.gz FMOLWSZRCAUAHR-NEPJUHHUSA-N 2 2 326.322 3.098 20 0 EGADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000639457671 461933475 /nfs/dbraw/zinc/93/34/75/461933475.db2.gz VWXSXRWXPHKOMR-BVGQSLNGSA-N 2 2 334.423 3.102 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667099564 461949128 /nfs/dbraw/zinc/94/91/28/461949128.db2.gz BDSAUWBQYNGQOE-KDOFPFPSSA-N 2 2 338.411 3.090 20 0 EGADLP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546759 461979794 /nfs/dbraw/zinc/97/97/94/461979794.db2.gz SELWVYBNCXZVHO-OALUTQOASA-N 2 2 327.472 3.005 20 0 EGADLP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546759 461979799 /nfs/dbraw/zinc/97/97/99/461979799.db2.gz SELWVYBNCXZVHO-OALUTQOASA-N 2 2 327.472 3.005 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000644556010 461984770 /nfs/dbraw/zinc/98/47/70/461984770.db2.gz XUHUUEABDQKNLJ-DUVNUKRYSA-N 2 2 339.361 3.369 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000644569223 461989472 /nfs/dbraw/zinc/98/94/72/461989472.db2.gz BPENSCWUKFVPDA-WOJBJXKFSA-N 2 2 342.483 3.044 20 0 EGADLP c1ccc2[nH+]c(CC3CC[NH+](CCOC[C@H]4CCCO4)CC3)[nH]c2c1 ZINC000660854487 461997151 /nfs/dbraw/zinc/99/71/51/461997151.db2.gz XTBOKYUUIBNZCM-QGZVFWFLSA-N 2 2 343.471 3.013 20 0 EGADLP Clc1cnn(CC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000660857167 461997470 /nfs/dbraw/zinc/99/74/70/461997470.db2.gz HJJCWLGRMZLITQ-UHFFFAOYSA-N 2 2 343.862 3.368 20 0 EGADLP c1ccc(N2CC[NH+](CCC[NH+]3CCC(C4CC4)CC3)CC2)cc1 ZINC000644720067 462050224 /nfs/dbraw/zinc/05/02/24/462050224.db2.gz LWWDLSITSAEGFS-UHFFFAOYSA-N 2 2 327.516 3.321 20 0 EGADLP CCO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639682668 462054876 /nfs/dbraw/zinc/05/48/76/462054876.db2.gz IIKNVVOUSVJBSE-HNNXBMFYSA-N 2 2 346.500 3.348 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000657364041 462073881 /nfs/dbraw/zinc/07/38/81/462073881.db2.gz SAEJWCGTGAWCAT-CJNGLKHVSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000657364041 462073884 /nfs/dbraw/zinc/07/38/84/462073884.db2.gz SAEJWCGTGAWCAT-CJNGLKHVSA-N 2 2 344.421 3.331 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccccc1 ZINC000657381232 462085950 /nfs/dbraw/zinc/08/59/50/462085950.db2.gz PMMHHYZWOGNJOA-IBGZPJMESA-N 2 2 335.455 3.100 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(OC2CCCC2)c1 ZINC000657386381 462089036 /nfs/dbraw/zinc/08/90/36/462089036.db2.gz AHYGHPJRKIFKCK-UHFFFAOYSA-N 2 2 341.455 3.449 20 0 EGADLP FC(F)c1nc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCC2)no1 ZINC000644837994 462099724 /nfs/dbraw/zinc/09/97/24/462099724.db2.gz YUFAAQZBPIJXIL-UHFFFAOYSA-N 2 2 349.385 3.040 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccnc2N2CCCC2)n1-c1ccccc1 ZINC000657570312 462185952 /nfs/dbraw/zinc/18/59/52/462185952.db2.gz SYWZOAMNRXDNPO-UHFFFAOYSA-N 2 2 347.466 3.466 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000639987394 462206902 /nfs/dbraw/zinc/20/69/02/462206902.db2.gz CXSVXMNSZQNSAJ-QZTJIDSGSA-N 2 2 335.536 3.116 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)on2)cc1 ZINC000645188563 462225128 /nfs/dbraw/zinc/22/51/28/462225128.db2.gz VIPNLBVDBVZNJP-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)on2)cc1 ZINC000645188563 462225136 /nfs/dbraw/zinc/22/51/36/462225136.db2.gz VIPNLBVDBVZNJP-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)on2)cc1 ZINC000645188563 462225145 /nfs/dbraw/zinc/22/51/45/462225145.db2.gz VIPNLBVDBVZNJP-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)on2)cc1 ZINC000645188563 462225153 /nfs/dbraw/zinc/22/51/53/462225153.db2.gz VIPNLBVDBVZNJP-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP CC[N@H+](CCCNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732508 462237346 /nfs/dbraw/zinc/23/73/46/462237346.db2.gz KUBVZKWBEMSJFJ-UHFFFAOYSA-N 2 2 326.444 3.183 20 0 EGADLP CC[N@@H+](CCCNC(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000667732508 462237351 /nfs/dbraw/zinc/23/73/51/462237351.db2.gz KUBVZKWBEMSJFJ-UHFFFAOYSA-N 2 2 326.444 3.183 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530538 462270954 /nfs/dbraw/zinc/27/09/54/462270954.db2.gz OXXFZFBDNMNTLE-HZPDHXFCSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530538 462270958 /nfs/dbraw/zinc/27/09/58/462270958.db2.gz OXXFZFBDNMNTLE-HZPDHXFCSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530538 462270963 /nfs/dbraw/zinc/27/09/63/462270963.db2.gz OXXFZFBDNMNTLE-HZPDHXFCSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000654530538 462270967 /nfs/dbraw/zinc/27/09/67/462270967.db2.gz OXXFZFBDNMNTLE-HZPDHXFCSA-N 2 2 340.471 3.459 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000651810853 462345737 /nfs/dbraw/zinc/34/57/37/462345737.db2.gz DLFKJGGUGMNTBL-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000651810853 462345738 /nfs/dbraw/zinc/34/57/38/462345738.db2.gz DLFKJGGUGMNTBL-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000651810853 462345739 /nfs/dbraw/zinc/34/57/39/462345739.db2.gz DLFKJGGUGMNTBL-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000651810853 462345740 /nfs/dbraw/zinc/34/57/40/462345740.db2.gz DLFKJGGUGMNTBL-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cccnc2)cc1F ZINC000665259473 462374325 /nfs/dbraw/zinc/37/43/25/462374325.db2.gz HDMMJLVFOLMAGU-OWQGQXMQSA-N 2 2 329.419 3.026 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000658090342 462378076 /nfs/dbraw/zinc/37/80/76/462378076.db2.gz GJQKTIZYWOHYNP-NVXWUHKLSA-N 2 2 331.504 3.483 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000658090342 462378081 /nfs/dbraw/zinc/37/80/81/462378081.db2.gz GJQKTIZYWOHYNP-NVXWUHKLSA-N 2 2 331.504 3.483 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)n1C ZINC000651949449 462388242 /nfs/dbraw/zinc/38/82/42/462388242.db2.gz LULVHEUAABMSRH-HNNXBMFYSA-N 2 2 332.423 3.017 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640571795 462445506 /nfs/dbraw/zinc/44/55/06/462445506.db2.gz VZYNZXULWARUNE-IAGOWNOFSA-N 2 2 338.373 3.057 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288652 462458015 /nfs/dbraw/zinc/45/80/15/462458015.db2.gz XCCGPVZQEIBORH-WMZOPIPTSA-N 2 2 342.487 3.134 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288652 462458020 /nfs/dbraw/zinc/45/80/20/462458020.db2.gz XCCGPVZQEIBORH-WMZOPIPTSA-N 2 2 342.487 3.134 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292366 462460038 /nfs/dbraw/zinc/46/00/38/462460038.db2.gz WDAHPSNKMZNANE-XJKSGUPXSA-N 2 2 338.879 3.253 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658296123 462462362 /nfs/dbraw/zinc/46/23/62/462462362.db2.gz QWKQFIBLMLFPEN-RLLQIKCJSA-N 2 2 343.515 3.259 20 0 EGADLP C[C@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658297145 462462869 /nfs/dbraw/zinc/46/28/69/462462869.db2.gz YMEFZWIWYWQQGI-QAPCUYQASA-N 2 2 328.456 3.207 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC000649301540 462472555 /nfs/dbraw/zinc/47/25/55/462472555.db2.gz YIQXKVMOXLJPPR-RBUKOAKNSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC000649301540 462472564 /nfs/dbraw/zinc/47/25/64/462472564.db2.gz YIQXKVMOXLJPPR-RBUKOAKNSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3CCCCN3C(C)C)C2)c1 ZINC000649301540 462472571 /nfs/dbraw/zinc/47/25/71/462472571.db2.gz YIQXKVMOXLJPPR-RBUKOAKNSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3CCCCN3C(C)C)C2)c1 ZINC000649301540 462472578 /nfs/dbraw/zinc/47/25/78/462472578.db2.gz YIQXKVMOXLJPPR-RBUKOAKNSA-N 2 2 330.520 3.387 20 0 EGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103889 462518886 /nfs/dbraw/zinc/51/88/86/462518886.db2.gz RVFVIPLXWZLCHN-ZDUSSCGKSA-N 2 2 326.843 3.337 20 0 EGADLP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103889 462518888 /nfs/dbraw/zinc/51/88/88/462518888.db2.gz RVFVIPLXWZLCHN-ZDUSSCGKSA-N 2 2 326.843 3.337 20 0 EGADLP C[C@H](c1cccc(Cl)c1F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106217 462519010 /nfs/dbraw/zinc/51/90/10/462519010.db2.gz SOGUCFTYCFLEMJ-CYBMUJFWSA-N 2 2 326.843 3.337 20 0 EGADLP C[C@H](c1cccc(Cl)c1F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106217 462519012 /nfs/dbraw/zinc/51/90/12/462519012.db2.gz SOGUCFTYCFLEMJ-CYBMUJFWSA-N 2 2 326.843 3.337 20 0 EGADLP CCc1cc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC000603384605 469371624 /nfs/dbraw/zinc/37/16/24/469371624.db2.gz YEPNWQQFVNIBAQ-UHFFFAOYSA-N 2 2 339.487 3.053 20 0 EGADLP CC1CC[NH+]([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CC1 ZINC000607141822 479780897 /nfs/dbraw/zinc/78/08/97/479780897.db2.gz RFBGZVBIHYIKFX-HNNXBMFYSA-N 2 2 345.516 3.489 20 0 EGADLP [NH3+]C[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccccc1 ZINC000178657655 534656404 /nfs/dbraw/zinc/65/64/04/534656404.db2.gz JYNPLRUMOMCDMX-QGZVFWFLSA-N 2 2 348.450 3.444 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC(F)F ZINC000179638261 528266879 /nfs/dbraw/zinc/26/68/79/528266879.db2.gz ZZSNEIPCNVULQG-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC(F)F ZINC000179638261 528266885 /nfs/dbraw/zinc/26/68/85/528266885.db2.gz ZZSNEIPCNVULQG-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264233509 535665288 /nfs/dbraw/zinc/66/52/88/535665288.db2.gz MWRNVEVWXDBFSO-MSOLQXFVSA-N 2 2 340.471 3.199 20 0 EGADLP CCOc1cc2[nH+]ccc(NCCn3cc[nH+]c3)c2cc1OCC ZINC000183722890 535692243 /nfs/dbraw/zinc/69/22/43/535692243.db2.gz ZKXNKYBVRYEDEV-UHFFFAOYSA-N 2 2 326.400 3.341 20 0 EGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000236914763 535849961 /nfs/dbraw/zinc/84/99/61/535849961.db2.gz BDLMDROXOVTYIN-SUMWQHHRSA-N 2 2 346.500 3.087 20 0 EGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000236914763 535849966 /nfs/dbraw/zinc/84/99/66/535849966.db2.gz BDLMDROXOVTYIN-SUMWQHHRSA-N 2 2 346.500 3.087 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1Cl ZINC000357928036 536016762 /nfs/dbraw/zinc/01/67/62/536016762.db2.gz JZEIVCLBGJFMQS-UHFFFAOYSA-N 2 2 328.803 3.302 20 0 EGADLP C[N@@H+](Cc1cn2ccccc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109679 546584390 /nfs/dbraw/zinc/58/43/90/546584390.db2.gz RYPDIYQRNXQKJH-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cn2ccccc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109679 546584392 /nfs/dbraw/zinc/58/43/92/546584392.db2.gz RYPDIYQRNXQKJH-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cn2ccccc2n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109679 546584396 /nfs/dbraw/zinc/58/43/96/546584396.db2.gz RYPDIYQRNXQKJH-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cn2ccccc2n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109679 546584401 /nfs/dbraw/zinc/58/44/01/546584401.db2.gz RYPDIYQRNXQKJH-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122568569 546733696 /nfs/dbraw/zinc/73/36/96/546733696.db2.gz UDYXLEJELKWUMS-FQEVSTJZSA-N 2 2 344.499 3.089 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153326983 546878873 /nfs/dbraw/zinc/87/88/73/546878873.db2.gz WEDWOERAHQQXKL-CJNGLKHVSA-N 2 2 340.920 3.435 20 0 EGADLP CCc1cc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)nc(C)[nH+]1 ZINC000180434480 547056260 /nfs/dbraw/zinc/05/62/60/547056260.db2.gz YQCXXYVDFOOGFW-OAHLLOKOSA-N 2 2 340.471 3.239 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339352480 547575401 /nfs/dbraw/zinc/57/54/01/547575401.db2.gz BDIQGCPJOXBTPI-DLBZAZTESA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339352480 547575406 /nfs/dbraw/zinc/57/54/06/547575406.db2.gz BDIQGCPJOXBTPI-DLBZAZTESA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344373001 547609808 /nfs/dbraw/zinc/60/98/08/547609808.db2.gz KMGCQZSPNJJLPV-MEDUHNTESA-N 2 2 336.277 3.013 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344373001 547609813 /nfs/dbraw/zinc/60/98/13/547609813.db2.gz KMGCQZSPNJJLPV-MEDUHNTESA-N 2 2 336.277 3.013 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)CC2 ZINC000358949325 547748223 /nfs/dbraw/zinc/74/82/23/547748223.db2.gz VQVHOPOUBYICOT-IBGZPJMESA-N 2 2 340.467 3.413 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)CC2 ZINC000358949325 547748225 /nfs/dbraw/zinc/74/82/25/547748225.db2.gz VQVHOPOUBYICOT-IBGZPJMESA-N 2 2 340.467 3.413 20 0 EGADLP Cn1nc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000386003548 547823854 /nfs/dbraw/zinc/82/38/54/547823854.db2.gz UEZDNZDYLMPLKX-SFHVURJKSA-N 2 2 334.467 3.185 20 0 EGADLP Cn1nc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000386003548 547823856 /nfs/dbraw/zinc/82/38/56/547823856.db2.gz UEZDNZDYLMPLKX-SFHVURJKSA-N 2 2 334.467 3.185 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536841371 548057756 /nfs/dbraw/zinc/05/77/56/548057756.db2.gz SSNQSCJSDLGJAY-ZPMCFJSWSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536841371 548057762 /nfs/dbraw/zinc/05/77/62/548057762.db2.gz SSNQSCJSDLGJAY-ZPMCFJSWSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536841371 548057769 /nfs/dbraw/zinc/05/77/69/548057769.db2.gz SSNQSCJSDLGJAY-ZPMCFJSWSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536841371 548057775 /nfs/dbraw/zinc/05/77/75/548057775.db2.gz SSNQSCJSDLGJAY-ZPMCFJSWSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193408 548259567 /nfs/dbraw/zinc/25/95/67/548259567.db2.gz MQWXPFZEFWKVBD-IIBYNOLFSA-N 2 2 334.467 3.216 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193408 548259571 /nfs/dbraw/zinc/25/95/71/548259571.db2.gz MQWXPFZEFWKVBD-IIBYNOLFSA-N 2 2 334.467 3.216 20 0 EGADLP Cc1cccn2cc(CN3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)[nH+]c12 ZINC000671255252 548270913 /nfs/dbraw/zinc/27/09/13/548270913.db2.gz ITYRSYPHJGBYOX-HXUWFJFHSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1cccn2cc(CN3CC[N@H+](C)[C@H](Cc4ccccc4)C3)[nH+]c12 ZINC000671255252 548270919 /nfs/dbraw/zinc/27/09/19/548270919.db2.gz ITYRSYPHJGBYOX-HXUWFJFHSA-N 2 2 334.467 3.001 20 0 EGADLP C[NH+](C)CCOc1ccccc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000674064607 548683173 /nfs/dbraw/zinc/68/31/73/548683173.db2.gz VGUUUCCMSMVWEW-UHFFFAOYSA-N 2 2 328.460 3.327 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000674375832 548741842 /nfs/dbraw/zinc/74/18/42/548741842.db2.gz COOHAIKDHADJKP-CYBMUJFWSA-N 2 2 341.293 3.211 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000674408486 548749279 /nfs/dbraw/zinc/74/92/79/548749279.db2.gz FAKKLAANFPOZBB-INIZCTEOSA-N 2 2 341.459 3.083 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000678234467 549436265 /nfs/dbraw/zinc/43/62/65/549436265.db2.gz FWSZMYGJNNFKKQ-RHSMWYFYSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000678234467 549436268 /nfs/dbraw/zinc/43/62/68/549436268.db2.gz FWSZMYGJNNFKKQ-RHSMWYFYSA-N 2 2 327.428 3.052 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC000678257870 549448149 /nfs/dbraw/zinc/44/81/49/549448149.db2.gz SZRBHYOADVWSBW-LJQANCHMSA-N 2 2 339.483 3.158 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC000678257870 549448154 /nfs/dbraw/zinc/44/81/54/549448154.db2.gz SZRBHYOADVWSBW-LJQANCHMSA-N 2 2 339.483 3.158 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000678259066 549448616 /nfs/dbraw/zinc/44/86/16/549448616.db2.gz YENIKTYKFKDVDN-OAHLLOKOSA-N 2 2 347.890 3.298 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000678259066 549448619 /nfs/dbraw/zinc/44/86/19/549448619.db2.gz YENIKTYKFKDVDN-OAHLLOKOSA-N 2 2 347.890 3.298 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000678590446 549526604 /nfs/dbraw/zinc/52/66/04/549526604.db2.gz HRAATMBTNBWDMY-JZZBYWGLSA-N 2 2 338.495 3.261 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000678590446 549526606 /nfs/dbraw/zinc/52/66/06/549526606.db2.gz HRAATMBTNBWDMY-JZZBYWGLSA-N 2 2 338.495 3.261 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364579 549697168 /nfs/dbraw/zinc/69/71/68/549697168.db2.gz HLXCXTKPBDPUBV-LPHOPBHVSA-N 2 2 344.890 3.111 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364579 549697171 /nfs/dbraw/zinc/69/71/71/549697171.db2.gz HLXCXTKPBDPUBV-LPHOPBHVSA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364579 549697174 /nfs/dbraw/zinc/69/71/74/549697174.db2.gz HLXCXTKPBDPUBV-LPHOPBHVSA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@H]2C1 ZINC000679364579 549697177 /nfs/dbraw/zinc/69/71/77/549697177.db2.gz HLXCXTKPBDPUBV-LPHOPBHVSA-N 2 2 344.890 3.111 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679627510 549742476 /nfs/dbraw/zinc/74/24/76/549742476.db2.gz NXBPHFAZZDPIMK-WBVHZDCISA-N 2 2 344.528 3.209 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679627510 549742480 /nfs/dbraw/zinc/74/24/80/549742480.db2.gz NXBPHFAZZDPIMK-WBVHZDCISA-N 2 2 344.528 3.209 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401523 549993247 /nfs/dbraw/zinc/99/32/47/549993247.db2.gz HIDFNIDNAMEFIP-DYESRHJHSA-N 3 2 329.532 3.217 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000681401523 549993249 /nfs/dbraw/zinc/99/32/49/549993249.db2.gz HIDFNIDNAMEFIP-DYESRHJHSA-N 3 2 329.532 3.217 20 0 EGADLP Cc1noc(C[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)c2ccccc2)n1 ZINC000683206967 550203848 /nfs/dbraw/zinc/20/38/48/550203848.db2.gz RVNHDCPHZQVENI-SFHVURJKSA-N 2 2 347.422 3.408 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020241 550282824 /nfs/dbraw/zinc/28/28/24/550282824.db2.gz GNKGMKUFALMCHP-ROUUACIJSA-N 2 2 340.515 3.158 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)[nH+]c12 ZINC000684114222 550292764 /nfs/dbraw/zinc/29/27/64/550292764.db2.gz SSVFZWSKAHUNDP-SJORKVTESA-N 2 2 337.471 3.235 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000684667285 550353619 /nfs/dbraw/zinc/35/36/19/550353619.db2.gz YAVKLYBDTSRTRF-IAGOWNOFSA-N 2 2 347.507 3.014 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000684864161 550378284 /nfs/dbraw/zinc/37/82/84/550378284.db2.gz NXHCJYQGDQUDJI-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000684864161 550378286 /nfs/dbraw/zinc/37/82/86/550378286.db2.gz NXHCJYQGDQUDJI-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP CCc1nn(C)cc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443075 550416918 /nfs/dbraw/zinc/41/69/18/550416918.db2.gz QCUJIZCFZSQUSA-OAQYLSRUSA-N 2 2 338.499 3.081 20 0 EGADLP CCc1nn(C)cc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443075 550416921 /nfs/dbraw/zinc/41/69/21/550416921.db2.gz QCUJIZCFZSQUSA-OAQYLSRUSA-N 2 2 338.499 3.081 20 0 EGADLP CCc1nn(C)cc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000685443075 550416924 /nfs/dbraw/zinc/41/69/24/550416924.db2.gz QCUJIZCFZSQUSA-OAQYLSRUSA-N 2 2 338.499 3.081 20 0 EGADLP CCc1nn(C)cc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000685443075 550416926 /nfs/dbraw/zinc/41/69/26/550416926.db2.gz QCUJIZCFZSQUSA-OAQYLSRUSA-N 2 2 338.499 3.081 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1C ZINC000729920193 574895781 /nfs/dbraw/zinc/89/57/81/574895781.db2.gz KMCZKEHIQWNESV-QGZVFWFLSA-N 2 2 337.423 3.443 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc(=O)oc2c1C ZINC000729920193 574895782 /nfs/dbraw/zinc/89/57/82/574895782.db2.gz KMCZKEHIQWNESV-QGZVFWFLSA-N 2 2 337.423 3.443 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1F ZINC000731452441 575074996 /nfs/dbraw/zinc/07/49/96/575074996.db2.gz YNSZKSJPVSEJTN-SFHVURJKSA-N 2 2 347.340 3.113 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000733330034 575328651 /nfs/dbraw/zinc/32/86/51/575328651.db2.gz GXTIBFYZUDENMD-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000733330034 575328652 /nfs/dbraw/zinc/32/86/52/575328652.db2.gz GXTIBFYZUDENMD-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP Fc1ccc(-c2ccn(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742168973 576754860 /nfs/dbraw/zinc/75/48/60/576754860.db2.gz MQLZCQALVDYYJR-QGZVFWFLSA-N 2 2 342.462 3.455 20 0 EGADLP Fc1ccc(-c2ccn(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742168973 576754862 /nfs/dbraw/zinc/75/48/62/576754862.db2.gz MQLZCQALVDYYJR-QGZVFWFLSA-N 2 2 342.462 3.455 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)c(Cl)nc21 ZINC000742374794 576775514 /nfs/dbraw/zinc/77/55/14/576775514.db2.gz HBBDAVSZHFMMIB-WFASDCNBSA-N 2 2 335.883 3.238 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c(Cl)nc21 ZINC000742374794 576775515 /nfs/dbraw/zinc/77/55/15/576775515.db2.gz HBBDAVSZHFMMIB-WFASDCNBSA-N 2 2 335.883 3.238 20 0 EGADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000743261883 576804533 /nfs/dbraw/zinc/80/45/33/576804533.db2.gz KAVWHLRPSFVFCS-IBGZPJMESA-N 2 2 345.874 3.023 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)cc1 ZINC000743481868 576810134 /nfs/dbraw/zinc/81/01/34/576810134.db2.gz SAQNVCMVIFYMDA-UHFFFAOYSA-N 2 2 331.504 3.006 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1O ZINC000063548878 1292016392 /nfs/dbraw/zinc/01/63/92/1292016392.db2.gz OJNHONWNWDHOLX-UHFFFAOYSA-N 2 2 327.359 3.015 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000828018995 1292419212 /nfs/dbraw/zinc/41/92/12/1292419212.db2.gz QBXCQLKKISJRBA-UHFFFAOYSA-N 2 2 326.444 3.044 20 0 EGADLP CN(CCC#N)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000077402178 1292462641 /nfs/dbraw/zinc/46/26/41/1292462641.db2.gz OBSNUGRDXBLHOH-LJQANCHMSA-N 2 2 339.487 3.437 20 0 EGADLP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000828984175 1292524970 /nfs/dbraw/zinc/52/49/70/1292524970.db2.gz WKFHYXQDFSOHHB-WMZOPIPTSA-N 2 2 339.524 3.096 20 0 EGADLP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000828984175 1292524974 /nfs/dbraw/zinc/52/49/74/1292524974.db2.gz WKFHYXQDFSOHHB-WMZOPIPTSA-N 2 2 339.524 3.096 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000084070167 1292700322 /nfs/dbraw/zinc/70/03/22/1292700322.db2.gz VRYHQDLTMOUPFI-UHFFFAOYSA-N 2 2 335.517 3.376 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000084070167 1292700325 /nfs/dbraw/zinc/70/03/25/1292700325.db2.gz VRYHQDLTMOUPFI-UHFFFAOYSA-N 2 2 335.517 3.376 20 0 EGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)o1 ZINC000092645297 1292880179 /nfs/dbraw/zinc/88/01/79/1292880179.db2.gz MVWLAKJRIKUWFR-UHFFFAOYSA-N 2 2 327.472 3.430 20 0 EGADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)o1 ZINC000092645297 1292880196 /nfs/dbraw/zinc/88/01/96/1292880196.db2.gz MVWLAKJRIKUWFR-UHFFFAOYSA-N 2 2 327.472 3.430 20 0 EGADLP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093891590 1292935351 /nfs/dbraw/zinc/93/53/51/1292935351.db2.gz GXPMOOXHOKFBMJ-UHFFFAOYSA-N 2 2 332.275 3.239 20 0 EGADLP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093891590 1292935356 /nfs/dbraw/zinc/93/53/56/1292935356.db2.gz GXPMOOXHOKFBMJ-UHFFFAOYSA-N 2 2 332.275 3.239 20 0 EGADLP Cc1nc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cs1 ZINC000105462967 1293039075 /nfs/dbraw/zinc/03/90/75/1293039075.db2.gz PBJCKYIUKRQOQB-ZDUSSCGKSA-N 2 2 348.491 3.193 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1nc(Br)cs1 ZINC000834616168 1293123901 /nfs/dbraw/zinc/12/39/01/1293123901.db2.gz MDVDOSURJXGCRG-JTQLQIEISA-N 2 2 341.278 3.453 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114772419 1293177959 /nfs/dbraw/zinc/17/79/59/1293177959.db2.gz KJUWYSCBXXFQFN-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114772419 1293177963 /nfs/dbraw/zinc/17/79/63/1293177963.db2.gz KJUWYSCBXXFQFN-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000131026533 1293676944 /nfs/dbraw/zinc/67/69/44/1293676944.db2.gz NCBUPRHBALVYPP-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1O ZINC000131129376 1293680178 /nfs/dbraw/zinc/68/01/78/1293680178.db2.gz OVXVAGAVWRTYRH-HNNXBMFYSA-N 2 2 341.455 3.111 20 0 EGADLP COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000154382628 1294052839 /nfs/dbraw/zinc/05/28/39/1294052839.db2.gz XZQSJISPPHFQQC-SFHVURJKSA-N 2 2 348.450 3.249 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C[NH+]1CCCCC1 ZINC000182611336 1295062283 /nfs/dbraw/zinc/06/22/83/1295062283.db2.gz BLVDGAUGRHJIFT-FXAWDEMLSA-N 3 2 345.531 3.426 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1C[NH+]1CCCCC1 ZINC000182611336 1295062297 /nfs/dbraw/zinc/06/22/97/1295062297.db2.gz BLVDGAUGRHJIFT-FXAWDEMLSA-N 3 2 345.531 3.426 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nccn1C ZINC000183032674 1295093010 /nfs/dbraw/zinc/09/30/10/1295093010.db2.gz CYGJMBJVKNNEGB-LJQANCHMSA-N 2 2 341.503 3.196 20 0 EGADLP COc1cc2c(c(C[NH2+]C3CC[NH+](CC(C)C)CC3)c1)O[C@@H](C)C2 ZINC000237337067 1296237570 /nfs/dbraw/zinc/23/75/70/1296237570.db2.gz NLLNDWNARAPTGB-HNNXBMFYSA-N 2 2 332.488 3.229 20 0 EGADLP [NH3+][C@H](CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000237931120 1296271848 /nfs/dbraw/zinc/27/18/48/1296271848.db2.gz ZVTNLAMPOLGLHL-HXUWFJFHSA-N 2 2 348.450 3.028 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000301516146 1296790687 /nfs/dbraw/zinc/79/06/87/1296790687.db2.gz SWGFBKRFRQJFSN-IRXDYDNUSA-N 2 2 339.524 3.288 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000378906871 1297527458 /nfs/dbraw/zinc/52/74/58/1297527458.db2.gz FAYLJGPMTIKCMW-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000378906871 1297527460 /nfs/dbraw/zinc/52/74/60/1297527460.db2.gz FAYLJGPMTIKCMW-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379636006 1297536792 /nfs/dbraw/zinc/53/67/92/1297536792.db2.gz WSCLVHYOWLPYNI-SJLPKXTDSA-N 2 2 325.456 3.238 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379636006 1297536800 /nfs/dbraw/zinc/53/68/00/1297536800.db2.gz WSCLVHYOWLPYNI-SJLPKXTDSA-N 2 2 325.456 3.238 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689721 1297537987 /nfs/dbraw/zinc/53/79/87/1297537987.db2.gz IRNOJMNONPDIRK-NVXWUHKLSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689721 1297537991 /nfs/dbraw/zinc/53/79/91/1297537991.db2.gz IRNOJMNONPDIRK-NVXWUHKLSA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000382629453 1297562205 /nfs/dbraw/zinc/56/22/05/1297562205.db2.gz NPBZDJJRUJKHML-IXDOHACOSA-N 2 2 341.540 3.388 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)c(C)n2n1 ZINC000392728985 1297659741 /nfs/dbraw/zinc/65/97/41/1297659741.db2.gz UUSLCVMRPLNTJY-PBHICJAKSA-N 2 2 340.475 3.308 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385412 1297729259 /nfs/dbraw/zinc/72/92/59/1297729259.db2.gz YDMNFJUINOHBJB-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385412 1297729274 /nfs/dbraw/zinc/72/92/74/1297729274.db2.gz YDMNFJUINOHBJB-NVXWUHKLSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562595 1297821154 /nfs/dbraw/zinc/82/11/54/1297821154.db2.gz RWHSIBKRPXJMAQ-WFASDCNBSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562595 1297821165 /nfs/dbraw/zinc/82/11/65/1297821165.db2.gz RWHSIBKRPXJMAQ-WFASDCNBSA-N 2 2 345.409 3.338 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793704 1297861735 /nfs/dbraw/zinc/86/17/35/1297861735.db2.gz QGJAQUTXBYCJQF-CHWSQXEVSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793704 1297861746 /nfs/dbraw/zinc/86/17/46/1297861746.db2.gz QGJAQUTXBYCJQF-CHWSQXEVSA-N 2 2 343.456 3.472 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444804519 1297862062 /nfs/dbraw/zinc/86/20/62/1297862062.db2.gz PPAATNVYDOXFKK-RDJZCZTQSA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444804519 1297862071 /nfs/dbraw/zinc/86/20/71/1297862071.db2.gz PPAATNVYDOXFKK-RDJZCZTQSA-N 2 2 340.471 3.189 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874885 1298153013 /nfs/dbraw/zinc/15/30/13/1298153013.db2.gz AGOORHFJNLJOCP-ARFHVFGLSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874885 1298153020 /nfs/dbraw/zinc/15/30/20/1298153020.db2.gz AGOORHFJNLJOCP-ARFHVFGLSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693879062 1298153367 /nfs/dbraw/zinc/15/33/67/1298153367.db2.gz QZCUFFYUKSADSH-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693879062 1298153373 /nfs/dbraw/zinc/15/33/73/1298153373.db2.gz QZCUFFYUKSADSH-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876778889 1298980132 /nfs/dbraw/zinc/98/01/32/1298980132.db2.gz RITOJFBMINSISA-UHFFFAOYSA-N 2 2 345.940 3.367 20 0 EGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876778889 1298980149 /nfs/dbraw/zinc/98/01/49/1298980149.db2.gz RITOJFBMINSISA-UHFFFAOYSA-N 2 2 345.940 3.367 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(Cl)nn1 ZINC000877087494 1299152139 /nfs/dbraw/zinc/15/21/39/1299152139.db2.gz ZEOOJVHQUCCZJI-HUUCEWRRSA-N 2 2 344.890 3.376 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000749299267 1299188772 /nfs/dbraw/zinc/18/87/72/1299188772.db2.gz VIKKROVDTJBRGY-YLJYHZDGSA-N 2 2 327.472 3.152 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000749299267 1299188776 /nfs/dbraw/zinc/18/87/76/1299188776.db2.gz VIKKROVDTJBRGY-YLJYHZDGSA-N 2 2 327.472 3.152 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000751999396 1299677164 /nfs/dbraw/zinc/67/71/64/1299677164.db2.gz MTOPSDADULIPAX-MRXNPFEDSA-N 2 2 343.309 3.146 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000751999396 1299677170 /nfs/dbraw/zinc/67/71/70/1299677170.db2.gz MTOPSDADULIPAX-MRXNPFEDSA-N 2 2 343.309 3.146 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653116 1300128407 /nfs/dbraw/zinc/12/84/07/1300128407.db2.gz YTRIVDVCGOCLLW-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878653116 1300128409 /nfs/dbraw/zinc/12/84/09/1300128409.db2.gz YTRIVDVCGOCLLW-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000878653116 1300128413 /nfs/dbraw/zinc/12/84/13/1300128413.db2.gz YTRIVDVCGOCLLW-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000878653116 1300128416 /nfs/dbraw/zinc/12/84/16/1300128416.db2.gz YTRIVDVCGOCLLW-ICSRJNTNSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878663316 1300133659 /nfs/dbraw/zinc/13/36/59/1300133659.db2.gz YAHPPAZFJGPQPE-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878663316 1300133662 /nfs/dbraw/zinc/13/36/62/1300133662.db2.gz YAHPPAZFJGPQPE-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878663316 1300133668 /nfs/dbraw/zinc/13/36/68/1300133668.db2.gz YAHPPAZFJGPQPE-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878663316 1300133673 /nfs/dbraw/zinc/13/36/73/1300133673.db2.gz YAHPPAZFJGPQPE-CTNGQTDRSA-N 2 2 343.515 3.154 20 0 EGADLP CC(C)[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCC1 ZINC000754499618 1300153168 /nfs/dbraw/zinc/15/31/68/1300153168.db2.gz NGHURCAYRHMZEO-LJQANCHMSA-N 2 2 341.455 3.426 20 0 EGADLP CC[C@@H](C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367549 1300327436 /nfs/dbraw/zinc/32/74/36/1300327436.db2.gz SMVXVMXQLHCVHB-VQIMIIECSA-N 2 2 343.515 3.098 20 0 EGADLP CC[C@@H](C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367549 1300327444 /nfs/dbraw/zinc/32/74/44/1300327444.db2.gz SMVXVMXQLHCVHB-VQIMIIECSA-N 2 2 343.515 3.098 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000756998003 1300607899 /nfs/dbraw/zinc/60/78/99/1300607899.db2.gz PVSCBQDEMAJIEL-FQEVSTJZSA-N 2 2 346.434 3.460 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201925 1300981502 /nfs/dbraw/zinc/98/15/02/1300981502.db2.gz VDILDKQHZWHJDZ-ICSRJNTNSA-N 2 2 328.500 3.340 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201925 1300981507 /nfs/dbraw/zinc/98/15/07/1300981507.db2.gz VDILDKQHZWHJDZ-ICSRJNTNSA-N 2 2 328.500 3.340 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567067 1301163829 /nfs/dbraw/zinc/16/38/29/1301163829.db2.gz DSAQOLSKHMNXKI-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568632 1301164415 /nfs/dbraw/zinc/16/44/15/1301164415.db2.gz BQMLLQTVPQVEEP-NHCUHLMSSA-N 2 2 335.451 3.208 20 0 EGADLP C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000882874006 1302141007 /nfs/dbraw/zinc/14/10/07/1302141007.db2.gz RKGFUQXHBWDMRA-ZMMAXQRCSA-N 2 2 340.471 3.002 20 0 EGADLP C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000882874006 1302141013 /nfs/dbraw/zinc/14/10/13/1302141013.db2.gz RKGFUQXHBWDMRA-ZMMAXQRCSA-N 2 2 340.471 3.002 20 0 EGADLP Cc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)o1 ZINC000764921534 1302165859 /nfs/dbraw/zinc/16/58/59/1302165859.db2.gz SBROWHZOZWFWIP-UHFFFAOYSA-N 2 2 327.472 3.455 20 0 EGADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CCOCC2)cc1 ZINC000883217889 1302313486 /nfs/dbraw/zinc/31/34/86/1302313486.db2.gz QAGHNBSPXUEZNC-HKUYNNGSSA-N 2 2 329.419 3.095 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[NH2+]CCC34CCC4)c2cc1C ZINC000883459282 1302452409 /nfs/dbraw/zinc/45/24/09/1302452409.db2.gz QUVUOJHZXFVDHS-UHFFFAOYSA-N 2 2 326.440 3.128 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[NH2+]CCC34CCC4)c2cc1C ZINC000883459282 1302452413 /nfs/dbraw/zinc/45/24/13/1302452413.db2.gz QUVUOJHZXFVDHS-UHFFFAOYSA-N 2 2 326.440 3.128 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221418 1302858488 /nfs/dbraw/zinc/85/84/88/1302858488.db2.gz RFIQBFNNKJFZFL-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221418 1302858499 /nfs/dbraw/zinc/85/84/99/1302858499.db2.gz RFIQBFNNKJFZFL-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867719 1303619896 /nfs/dbraw/zinc/61/98/96/1303619896.db2.gz LYLAREQUORQNMB-BEFAXECRSA-N 2 2 349.906 3.441 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867719 1303619901 /nfs/dbraw/zinc/61/99/01/1303619901.db2.gz LYLAREQUORQNMB-BEFAXECRSA-N 2 2 349.906 3.441 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc(F)n3)CC2)cc1 ZINC000773084552 1303621842 /nfs/dbraw/zinc/62/18/42/1303621842.db2.gz CSZFHQXSLGVKHC-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)[nH+]c1 ZINC000773138553 1303631980 /nfs/dbraw/zinc/63/19/80/1303631980.db2.gz MEIDPXROQFUKEL-HLLBOEOZSA-N 2 2 335.542 3.020 20 0 EGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)[nH+]c1 ZINC000773138554 1303632121 /nfs/dbraw/zinc/63/21/21/1303632121.db2.gz MEIDPXROQFUKEL-INMHGKMJSA-N 2 2 335.542 3.020 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c[nH+]1 ZINC000775362062 1303946331 /nfs/dbraw/zinc/94/63/31/1303946331.db2.gz FJIGFBRIGDTTFA-FGTMMUONSA-N 2 2 345.537 3.401 20 0 EGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)C1CCOCC1 ZINC000776805282 1304201767 /nfs/dbraw/zinc/20/17/67/1304201767.db2.gz MDHHLHFVUIVIIG-HXUWFJFHSA-N 2 2 331.504 3.446 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000779038213 1304522233 /nfs/dbraw/zinc/52/22/33/1304522233.db2.gz AHQXIGDBRZYZHC-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+][C@H](c2ccccc2)C2CCOCC2)CCSC1 ZINC000782770202 1305010274 /nfs/dbraw/zinc/01/02/74/1305010274.db2.gz XYDXIDOSFSMPPM-MOPGFXCFSA-N 2 2 334.529 3.181 20 0 EGADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CC[C@H]3CCOC3)cc2)CC1 ZINC000783583102 1305111895 /nfs/dbraw/zinc/11/18/95/1305111895.db2.gz DRTXLMBAWDWFMA-SFHVURJKSA-N 2 2 331.504 3.303 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823350 1305179400 /nfs/dbraw/zinc/17/94/00/1305179400.db2.gz QPRMTCGSWLODKZ-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823350 1305179406 /nfs/dbraw/zinc/17/94/06/1305179406.db2.gz QPRMTCGSWLODKZ-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823350 1305179410 /nfs/dbraw/zinc/17/94/10/1305179410.db2.gz QPRMTCGSWLODKZ-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823350 1305179416 /nfs/dbraw/zinc/17/94/16/1305179416.db2.gz QPRMTCGSWLODKZ-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788252264 1305907500 /nfs/dbraw/zinc/90/75/00/1305907500.db2.gz ZOZHPYRHFWDTAB-HZPDHXFCSA-N 2 2 327.513 3.142 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788252264 1305907504 /nfs/dbraw/zinc/90/75/04/1305907504.db2.gz ZOZHPYRHFWDTAB-HZPDHXFCSA-N 2 2 327.513 3.142 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607823 1305980718 /nfs/dbraw/zinc/98/07/18/1305980718.db2.gz DDFUFIYTNUBHIY-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607823 1305980724 /nfs/dbraw/zinc/98/07/24/1305980724.db2.gz DDFUFIYTNUBHIY-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612444 1305982392 /nfs/dbraw/zinc/98/23/92/1305982392.db2.gz MGIQRDFNXNFIKP-ROUUACIJSA-N 2 2 345.487 3.114 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612444 1305982397 /nfs/dbraw/zinc/98/23/97/1305982397.db2.gz MGIQRDFNXNFIKP-ROUUACIJSA-N 2 2 345.487 3.114 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000893920788 1306130423 /nfs/dbraw/zinc/13/04/23/1306130423.db2.gz XNVYPWXVJYWASN-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000893920788 1306130428 /nfs/dbraw/zinc/13/04/28/1306130428.db2.gz XNVYPWXVJYWASN-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000894021823 1306178595 /nfs/dbraw/zinc/17/85/95/1306178595.db2.gz WQNNRDLPCGMWST-HNNXBMFYSA-N 2 2 343.471 3.037 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000894021823 1306178599 /nfs/dbraw/zinc/17/85/99/1306178599.db2.gz WQNNRDLPCGMWST-HNNXBMFYSA-N 2 2 343.471 3.037 20 0 EGADLP c1nn(C2CCC2)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000894145326 1306244109 /nfs/dbraw/zinc/24/41/09/1306244109.db2.gz LHKMIYFLRGWYJL-BGYRXZFFSA-N 2 2 336.483 3.172 20 0 EGADLP c1nn(C2CCC2)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000894145326 1306244124 /nfs/dbraw/zinc/24/41/24/1306244124.db2.gz LHKMIYFLRGWYJL-BGYRXZFFSA-N 2 2 336.483 3.172 20 0 EGADLP c1nn(C2CCC2)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000894145326 1306244135 /nfs/dbraw/zinc/24/41/35/1306244135.db2.gz LHKMIYFLRGWYJL-BGYRXZFFSA-N 2 2 336.483 3.172 20 0 EGADLP c1nn(C2CCC2)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000894145326 1306244144 /nfs/dbraw/zinc/24/41/44/1306244144.db2.gz LHKMIYFLRGWYJL-BGYRXZFFSA-N 2 2 336.483 3.172 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000791392490 1308978812 /nfs/dbraw/zinc/97/88/12/1308978812.db2.gz RJRBZOJRTOMEMA-ULQDDVLXSA-N 2 2 341.455 3.485 20 0 EGADLP CCOC(=O)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000792196491 1309141277 /nfs/dbraw/zinc/14/12/77/1309141277.db2.gz USERNNAZUQTBDX-UHFFFAOYSA-N 2 2 327.428 3.085 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000792254292 1309151413 /nfs/dbraw/zinc/15/14/13/1309151413.db2.gz HNQIKTFSHZOVHS-UHFFFAOYSA-N 2 2 348.441 3.342 20 0 EGADLP Cc1cc(F)ncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000896052255 1309675440 /nfs/dbraw/zinc/67/54/40/1309675440.db2.gz RMNXICXPVWKKEO-AZUAARDMSA-N 2 2 339.458 3.483 20 0 EGADLP Cc1cc(F)ncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000896052255 1309675446 /nfs/dbraw/zinc/67/54/46/1309675446.db2.gz RMNXICXPVWKKEO-AZUAARDMSA-N 2 2 339.458 3.483 20 0 EGADLP Cc1cc(F)ncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000896052255 1309675452 /nfs/dbraw/zinc/67/54/52/1309675452.db2.gz RMNXICXPVWKKEO-AZUAARDMSA-N 2 2 339.458 3.483 20 0 EGADLP Cc1cc(F)ncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000896052255 1309675459 /nfs/dbraw/zinc/67/54/59/1309675459.db2.gz RMNXICXPVWKKEO-AZUAARDMSA-N 2 2 339.458 3.483 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000795937716 1309865813 /nfs/dbraw/zinc/86/58/13/1309865813.db2.gz KBPGRSQKONVBBK-HXUWFJFHSA-N 2 2 344.499 3.174 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000795937716 1309865818 /nfs/dbraw/zinc/86/58/18/1309865818.db2.gz KBPGRSQKONVBBK-HXUWFJFHSA-N 2 2 344.499 3.174 20 0 EGADLP CO[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1Cl ZINC000796319319 1309965961 /nfs/dbraw/zinc/96/59/61/1309965961.db2.gz IKDMJKBRUKISSX-HNNXBMFYSA-N 2 2 339.892 3.335 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)c(C)c1OC ZINC000796703111 1310067166 /nfs/dbraw/zinc/06/71/66/1310067166.db2.gz ROODUZLSOGAXMF-JKSUJKDBSA-N 2 2 334.504 3.407 20 0 EGADLP C[C@H]1CN(c2ccccc2C[NH+]2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000897983024 1310539950 /nfs/dbraw/zinc/53/99/50/1310539950.db2.gz WAIBICHJOOMWFZ-KRWDZBQOSA-N 2 2 343.515 3.018 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982477 1310539967 /nfs/dbraw/zinc/53/99/67/1310539967.db2.gz LKNBHMRBQBVWCP-MRXNPFEDSA-N 2 2 332.488 3.207 20 0 EGADLP Cn1cnc(C[NH2+]C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000898042176 1310559929 /nfs/dbraw/zinc/55/99/29/1310559929.db2.gz KAJGYXXXFAJDDR-OAQYLSRUSA-N 2 2 340.515 3.448 20 0 EGADLP Cn1cnc(C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000898042176 1310559931 /nfs/dbraw/zinc/55/99/31/1310559931.db2.gz KAJGYXXXFAJDDR-OAQYLSRUSA-N 2 2 340.515 3.448 20 0 EGADLP Cn1cnc(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000898042175 1310560022 /nfs/dbraw/zinc/56/00/22/1310560022.db2.gz KAJGYXXXFAJDDR-NRFANRHFSA-N 2 2 340.515 3.448 20 0 EGADLP Cn1cnc(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000898042175 1310560024 /nfs/dbraw/zinc/56/00/24/1310560024.db2.gz KAJGYXXXFAJDDR-NRFANRHFSA-N 2 2 340.515 3.448 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000801519793 1310952241 /nfs/dbraw/zinc/95/22/41/1310952241.db2.gz WYRIXTRPZRRRKQ-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000801519793 1310952246 /nfs/dbraw/zinc/95/22/46/1310952246.db2.gz WYRIXTRPZRRRKQ-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)c[nH+]1 ZINC001019030436 1317013407 /nfs/dbraw/zinc/01/34/07/1317013407.db2.gz JWDMADXOGIZJBW-SFHVURJKSA-N 2 2 344.503 3.008 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019039977 1317018176 /nfs/dbraw/zinc/01/81/76/1317018176.db2.gz BSVSBFXYSJKOOR-KRWDZBQOSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CC3CCCCC3)C2)c(C)[nH+]1 ZINC001019171687 1317086500 /nfs/dbraw/zinc/08/65/00/1317086500.db2.gz KKFCUDDUCCQHEM-SFHVURJKSA-N 2 2 329.488 3.391 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)CNc2cccc[nH+]2)CC1)CC(C)C ZINC000901318946 1317404230 /nfs/dbraw/zinc/40/42/30/1317404230.db2.gz YENJILPYHBNHFX-UHFFFAOYSA-N 2 2 346.519 3.100 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)CNc2cccc[nH+]2)CC1)CC(C)C ZINC000901318946 1317404236 /nfs/dbraw/zinc/40/42/36/1317404236.db2.gz YENJILPYHBNHFX-UHFFFAOYSA-N 2 2 346.519 3.100 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)c(F)c1 ZINC000805754277 1317418356 /nfs/dbraw/zinc/41/83/56/1317418356.db2.gz PIQCWDLEXYWAFB-RHSMWYFYSA-N 2 2 336.794 3.061 20 0 EGADLP O[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(Cl)c(F)c1 ZINC000805754277 1317418360 /nfs/dbraw/zinc/41/83/60/1317418360.db2.gz PIQCWDLEXYWAFB-RHSMWYFYSA-N 2 2 336.794 3.061 20 0 EGADLP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957559602 1317456727 /nfs/dbraw/zinc/45/67/27/1317456727.db2.gz LPKYYGCNNOFRBU-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957559602 1317456731 /nfs/dbraw/zinc/45/67/31/1317456731.db2.gz LPKYYGCNNOFRBU-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000806169487 1317468265 /nfs/dbraw/zinc/46/82/65/1317468265.db2.gz MNAUQHPBCGTIRI-YESZJQIVSA-N 2 2 341.540 3.484 20 0 EGADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(OC)c(OC)c1 ZINC000902446210 1317580056 /nfs/dbraw/zinc/58/00/56/1317580056.db2.gz SNOJGOFYJFPZJC-SQGPQFPESA-N 2 2 326.440 3.369 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000903196121 1317671593 /nfs/dbraw/zinc/67/15/93/1317671593.db2.gz IEZRMRPQLRCMMA-CWFSZBLJSA-N 2 2 330.472 3.417 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000903196121 1317671599 /nfs/dbraw/zinc/67/15/99/1317671599.db2.gz IEZRMRPQLRCMMA-CWFSZBLJSA-N 2 2 330.472 3.417 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)c1OC1CCCC1 ZINC000903922427 1317749186 /nfs/dbraw/zinc/74/91/86/1317749186.db2.gz XAOIAQXQJAOCOJ-ZDUSSCGKSA-N 2 2 328.403 3.089 20 0 EGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)CC(F)F ZINC000903924491 1317750067 /nfs/dbraw/zinc/75/00/67/1317750067.db2.gz DVEMKFKNTMSBFM-GFCCVEGCSA-N 2 2 325.334 3.085 20 0 EGADLP [NH3+][C@H](C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)CC(F)F ZINC000903924492 1317750090 /nfs/dbraw/zinc/75/00/90/1317750090.db2.gz DVEMKFKNTMSBFM-LBPRGKRZSA-N 2 2 325.334 3.085 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc12 ZINC000903973459 1317759658 /nfs/dbraw/zinc/75/96/58/1317759658.db2.gz DRYJOYZLCUCPIT-QGZVFWFLSA-N 2 2 340.467 3.097 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001020571158 1317781345 /nfs/dbraw/zinc/78/13/45/1317781345.db2.gz DKRXBMLJTLHWGV-ULQDDVLXSA-N 2 2 344.503 3.037 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1ccc2ccccc2c1 ZINC001020635140 1317818248 /nfs/dbraw/zinc/81/82/48/1317818248.db2.gz GVUGKKLRPPHTQO-JVPBZIDWSA-N 2 2 348.450 3.103 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)s1 ZINC000809560105 1317831602 /nfs/dbraw/zinc/83/16/02/1317831602.db2.gz LNOJXRVFRJEBMK-HKUYNNGSSA-N 2 2 345.512 3.293 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)s1 ZINC000809560105 1317831612 /nfs/dbraw/zinc/83/16/12/1317831612.db2.gz LNOJXRVFRJEBMK-HKUYNNGSSA-N 2 2 345.512 3.293 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906272802 1318066456 /nfs/dbraw/zinc/06/64/56/1318066456.db2.gz IAOINDCEFCUNGJ-INIZCTEOSA-N 2 2 331.508 3.090 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C3CC3)nn2)CC1 ZINC000906272802 1318066463 /nfs/dbraw/zinc/06/64/63/1318066463.db2.gz IAOINDCEFCUNGJ-INIZCTEOSA-N 2 2 331.508 3.090 20 0 EGADLP CC(C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+](C)C ZINC000907815242 1318264472 /nfs/dbraw/zinc/26/44/72/1318264472.db2.gz JWJZCDZNBNGYCK-QAPCUYQASA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)[C@@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[NH+](C)C ZINC000907815242 1318264478 /nfs/dbraw/zinc/26/44/78/1318264478.db2.gz JWJZCDZNBNGYCK-QAPCUYQASA-N 2 2 346.519 3.017 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929990969 1328758064 /nfs/dbraw/zinc/75/80/64/1328758064.db2.gz DFOMRKIOPIKLLE-MSOLQXFVSA-N 2 2 341.455 3.154 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929990969 1328758066 /nfs/dbraw/zinc/75/80/66/1328758066.db2.gz DFOMRKIOPIKLLE-MSOLQXFVSA-N 2 2 341.455 3.154 20 0 EGADLP COCCC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812841825 1318469371 /nfs/dbraw/zinc/46/93/71/1318469371.db2.gz KUCTWMSEMKQABU-UHFFFAOYSA-N 2 2 333.520 3.374 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644220 1318502715 /nfs/dbraw/zinc/50/27/15/1318502715.db2.gz FIYDBYPYJYVLDC-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644220 1318502723 /nfs/dbraw/zinc/50/27/23/1318502723.db2.gz FIYDBYPYJYVLDC-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001022423586 1318934273 /nfs/dbraw/zinc/93/42/73/1318934273.db2.gz BTEDDICDSUXTSO-HDICACEKSA-N 2 2 348.450 3.002 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)cc1C ZINC001022424100 1318936341 /nfs/dbraw/zinc/93/63/41/1318936341.db2.gz QYJZCUCIPBTYNQ-HDICACEKSA-N 2 2 348.450 3.002 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557918 1319182620 /nfs/dbraw/zinc/18/26/20/1319182620.db2.gz GQNFNDGQDLOPQA-WBVHZDCISA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557918 1319182628 /nfs/dbraw/zinc/18/26/28/1319182628.db2.gz GQNFNDGQDLOPQA-WBVHZDCISA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000817902143 1319455628 /nfs/dbraw/zinc/45/56/28/1319455628.db2.gz JGXQPASUYIRVIN-HBGVWJBISA-N 2 2 340.467 3.029 20 0 EGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)ncc1F ZINC000817982930 1319485156 /nfs/dbraw/zinc/48/51/56/1319485156.db2.gz WKMQDONOAMGTFB-RNCFNFMXSA-N 2 2 330.245 3.151 20 0 EGADLP CC1CC(C[N@@H+]2CCC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001023445027 1319543750 /nfs/dbraw/zinc/54/37/50/1319543750.db2.gz DLJBRUDYMPMIAT-HWOWSKLDSA-N 2 2 340.471 3.051 20 0 EGADLP CC1CC(C[N@H+]2CCC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001023445027 1319543755 /nfs/dbraw/zinc/54/37/55/1319543755.db2.gz DLJBRUDYMPMIAT-HWOWSKLDSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819182245 1319659520 /nfs/dbraw/zinc/65/95/20/1319659520.db2.gz AIGGMNDSZHFYAD-MGPUTAFESA-N 2 2 343.446 3.069 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681164 1319794691 /nfs/dbraw/zinc/79/46/91/1319794691.db2.gz HQMTYFPIUQBKTE-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681164 1319794695 /nfs/dbraw/zinc/79/46/95/1319794695.db2.gz HQMTYFPIUQBKTE-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccnc(Cl)c3F)[nH+]c2)C1 ZINC000824027681 1320223257 /nfs/dbraw/zinc/22/32/57/1320223257.db2.gz OCZZUHYPFNBGHD-AWEZNQCLSA-N 2 2 349.841 3.022 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000825132259 1320313829 /nfs/dbraw/zinc/31/38/29/1320313829.db2.gz ZGBZHCAAULYLLZ-INIZCTEOSA-N 2 2 333.407 3.013 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474540 1321392973 /nfs/dbraw/zinc/39/29/73/1321392973.db2.gz VCXYQCWYWGPKDW-UYAOXDASSA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474540 1321392977 /nfs/dbraw/zinc/39/29/77/1321392977.db2.gz VCXYQCWYWGPKDW-UYAOXDASSA-N 2 2 337.467 3.242 20 0 EGADLP CCc1ccc2c(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc(=O)oc2c1 ZINC000842476279 1321394290 /nfs/dbraw/zinc/39/42/90/1321394290.db2.gz KOVRRBRJMAOKLV-SFHVURJKSA-N 2 2 328.456 3.353 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000843376540 1321508436 /nfs/dbraw/zinc/50/84/36/1321508436.db2.gz AOLNDCFGBFJWLS-KHYOSLBOSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000843376540 1321508439 /nfs/dbraw/zinc/50/84/39/1321508439.db2.gz AOLNDCFGBFJWLS-KHYOSLBOSA-N 2 2 325.456 3.226 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000843384907 1321509410 /nfs/dbraw/zinc/50/94/10/1321509410.db2.gz HNBWSZVGENSLPW-CYBMUJFWSA-N 2 2 343.443 3.143 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000843384907 1321509415 /nfs/dbraw/zinc/50/94/15/1321509415.db2.gz HNBWSZVGENSLPW-CYBMUJFWSA-N 2 2 343.443 3.143 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845938548 1321756131 /nfs/dbraw/zinc/75/61/31/1321756131.db2.gz VHBUDDSZIVHIDP-OFLPRAFFSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845938548 1321756133 /nfs/dbraw/zinc/75/61/33/1321756133.db2.gz VHBUDDSZIVHIDP-OFLPRAFFSA-N 2 2 339.524 3.144 20 0 EGADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808809 1321810846 /nfs/dbraw/zinc/81/08/46/1321810846.db2.gz JPYCZVRCMZURAG-MRXNPFEDSA-N 2 2 337.305 3.368 20 0 EGADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808809 1321810851 /nfs/dbraw/zinc/81/08/51/1321810851.db2.gz JPYCZVRCMZURAG-MRXNPFEDSA-N 2 2 337.305 3.368 20 0 EGADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808809 1321810854 /nfs/dbraw/zinc/81/08/54/1321810854.db2.gz JPYCZVRCMZURAG-MRXNPFEDSA-N 2 2 337.305 3.368 20 0 EGADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808809 1321810857 /nfs/dbraw/zinc/81/08/57/1321810857.db2.gz JPYCZVRCMZURAG-MRXNPFEDSA-N 2 2 337.305 3.368 20 0 EGADLP COC(=O)/C=C\c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000848894571 1322033784 /nfs/dbraw/zinc/03/37/84/1322033784.db2.gz KJMUBLGBFGUYTB-HJWRWDBZSA-N 2 2 346.471 3.210 20 0 EGADLP [NH2+]=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000849103363 1322079293 /nfs/dbraw/zinc/07/92/93/1322079293.db2.gz PNSFLGRBGGKSSZ-GOSISDBHSA-N 2 2 346.544 3.004 20 0 EGADLP [NH2+]=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000849103363 1322079300 /nfs/dbraw/zinc/07/93/00/1322079300.db2.gz PNSFLGRBGGKSSZ-GOSISDBHSA-N 2 2 346.544 3.004 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000850060778 1322189639 /nfs/dbraw/zinc/18/96/39/1322189639.db2.gz UGBUVIUEVQTQIE-MOPGFXCFSA-N 2 2 343.471 3.255 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)cc2)c[nH+]1 ZINC000850079950 1322191637 /nfs/dbraw/zinc/19/16/37/1322191637.db2.gz GGROCIUFTFQQHH-OAQYLSRUSA-N 2 2 349.434 3.330 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556637 1322265847 /nfs/dbraw/zinc/26/58/47/1322265847.db2.gz SGQWFGYEHREEAW-LPHOPBHVSA-N 2 2 342.487 3.075 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556637 1322265853 /nfs/dbraw/zinc/26/58/53/1322265853.db2.gz SGQWFGYEHREEAW-LPHOPBHVSA-N 2 2 342.487 3.075 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850556368 1322265979 /nfs/dbraw/zinc/26/59/79/1322265979.db2.gz GXICLUSVHDVDHH-VQTJNVASSA-N 2 2 344.499 3.306 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000931136755 1329057960 /nfs/dbraw/zinc/05/79/60/1329057960.db2.gz RWNUKJXUIOTOKJ-IJEWVQPXSA-N 2 2 326.444 3.040 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000931136755 1329057962 /nfs/dbraw/zinc/05/79/62/1329057962.db2.gz RWNUKJXUIOTOKJ-IJEWVQPXSA-N 2 2 326.444 3.040 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C[NH+](C)C)c1 ZINC000924647105 1323092573 /nfs/dbraw/zinc/09/25/73/1323092573.db2.gz YMGVVSNGCILEAM-INIZCTEOSA-N 3 2 326.488 3.174 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001024072297 1323111010 /nfs/dbraw/zinc/11/10/10/1323111010.db2.gz WDRDODQGWXRNOG-PJOPYLDSSA-N 2 2 343.515 3.495 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000924772500 1323154935 /nfs/dbraw/zinc/15/49/35/1323154935.db2.gz BYIQLCYJJTYFKP-LSTHTHJFSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000924772500 1323154943 /nfs/dbraw/zinc/15/49/43/1323154943.db2.gz BYIQLCYJJTYFKP-LSTHTHJFSA-N 2 2 331.479 3.259 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c2ncnn21 ZINC000924860041 1323190451 /nfs/dbraw/zinc/19/04/51/1323190451.db2.gz IEDXUIHECHGCJZ-APWZRJJASA-N 2 2 339.487 3.450 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001024183397 1323194788 /nfs/dbraw/zinc/19/47/88/1323194788.db2.gz AQIHTPGEPLOKHG-DLBZAZTESA-N 2 2 346.519 3.099 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000924881608 1323198712 /nfs/dbraw/zinc/19/87/12/1323198712.db2.gz HKOCCQFNZBVHQQ-GUDVDZBRSA-N 2 2 343.515 3.128 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000924881608 1323198720 /nfs/dbraw/zinc/19/87/20/1323198720.db2.gz HKOCCQFNZBVHQQ-GUDVDZBRSA-N 2 2 343.515 3.128 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c2ncnn21 ZINC000924964674 1323229972 /nfs/dbraw/zinc/22/99/72/1323229972.db2.gz SEZSULFVWUFCQR-VQIMIIECSA-N 2 2 339.487 3.306 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001025098565 1323892438 /nfs/dbraw/zinc/89/24/38/1323892438.db2.gz XDEMEKOTBDULTA-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255623 1324062829 /nfs/dbraw/zinc/06/28/29/1324062829.db2.gz RIFOGMZYXCTPIF-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255623 1324062832 /nfs/dbraw/zinc/06/28/32/1324062832.db2.gz RIFOGMZYXCTPIF-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(C)C)[C@@H]3C2)c(C)[nH+]1 ZINC001026318359 1324722193 /nfs/dbraw/zinc/72/21/93/1324722193.db2.gz WOSRBTLMYBNFBF-RCCFBDPRSA-N 2 2 329.488 3.103 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001026954525 1325103740 /nfs/dbraw/zinc/10/37/40/1325103740.db2.gz JBDPUCRNYDKNGX-DLBZAZTESA-N 2 2 348.450 3.147 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(O[C@H]2CCOC2)c1 ZINC000925267859 1325105681 /nfs/dbraw/zinc/10/56/81/1325105681.db2.gz JSXNVOKZRYXPAE-XUVXKRRUSA-N 2 2 344.499 3.269 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(O[C@H]2CCOC2)c1 ZINC000925267859 1325105689 /nfs/dbraw/zinc/10/56/89/1325105689.db2.gz JSXNVOKZRYXPAE-XUVXKRRUSA-N 2 2 344.499 3.269 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339963 1325132720 /nfs/dbraw/zinc/13/27/20/1325132720.db2.gz NKDSGLCQODPQDH-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339963 1325132730 /nfs/dbraw/zinc/13/27/30/1325132730.db2.gz NKDSGLCQODPQDH-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP COc1ccc(CC(N)=[NH+]OC[C@H]2CCCC[N@@H+]2C(C)C)cc1OC ZINC000853658723 1325142090 /nfs/dbraw/zinc/14/20/90/1325142090.db2.gz SPMHDKRZEZDPNX-MRXNPFEDSA-N 2 2 349.475 3.008 20 0 EGADLP COc1ccc(CC(N)=[NH+]OC[C@H]2CCCC[N@H+]2C(C)C)cc1OC ZINC000853658723 1325142094 /nfs/dbraw/zinc/14/20/94/1325142094.db2.gz SPMHDKRZEZDPNX-MRXNPFEDSA-N 2 2 349.475 3.008 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000925596800 1325227476 /nfs/dbraw/zinc/22/74/76/1325227476.db2.gz WPGDMECEBMIYHR-QFBILLFUSA-N 2 2 334.467 3.315 20 0 EGADLP c1coc(COCc2cccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c2)c1 ZINC000925607355 1325229904 /nfs/dbraw/zinc/22/99/04/1325229904.db2.gz VQTKFEZTNVPOJB-GBMAXXPESA-N 2 2 338.451 3.082 20 0 EGADLP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925626273 1325236703 /nfs/dbraw/zinc/23/67/03/1325236703.db2.gz PDXQGCUHSILJCX-YESZJQIVSA-N 2 2 337.870 3.099 20 0 EGADLP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925626273 1325236707 /nfs/dbraw/zinc/23/67/07/1325236707.db2.gz PDXQGCUHSILJCX-YESZJQIVSA-N 2 2 337.870 3.099 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000925798261 1325306854 /nfs/dbraw/zinc/30/68/54/1325306854.db2.gz VQMYFBBDAQHKJW-UZLBHIALSA-N 2 2 328.500 3.375 20 0 EGADLP C[C@H]1CC(C)(C)c2cccc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)c21 ZINC000926198450 1325466608 /nfs/dbraw/zinc/46/66/08/1325466608.db2.gz LCHWSLSINVNDOV-AWEZNQCLSA-N 2 2 344.503 3.016 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287433 1325504535 /nfs/dbraw/zinc/50/45/35/1325504535.db2.gz NZTWSTUGJZDIJV-SJORKVTESA-N 2 2 343.471 3.493 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287433 1325504539 /nfs/dbraw/zinc/50/45/39/1325504539.db2.gz NZTWSTUGJZDIJV-SJORKVTESA-N 2 2 343.471 3.493 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596805 1327948081 /nfs/dbraw/zinc/94/80/81/1327948081.db2.gz AWSHUHFHTGMRHD-AEFFLSMTSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596805 1327948087 /nfs/dbraw/zinc/94/80/87/1327948087.db2.gz AWSHUHFHTGMRHD-AEFFLSMTSA-N 2 2 346.519 3.193 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633430 1327997849 /nfs/dbraw/zinc/99/78/49/1327997849.db2.gz WSGYMQZNKYHXPC-QZTJIDSGSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633430 1327997854 /nfs/dbraw/zinc/99/78/54/1327997854.db2.gz WSGYMQZNKYHXPC-QZTJIDSGSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000865413161 1329693766 /nfs/dbraw/zinc/69/37/66/1329693766.db2.gz ZQRLYFYHDCVIIL-HNNXBMFYSA-N 2 2 344.459 3.086 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134877 1329787313 /nfs/dbraw/zinc/78/73/13/1329787313.db2.gz FNHNUJIPGMSIIQ-SFHVURJKSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134877 1329787314 /nfs/dbraw/zinc/78/73/14/1329787314.db2.gz FNHNUJIPGMSIIQ-SFHVURJKSA-N 2 2 335.455 3.294 20 0 EGADLP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485314 1331943745 /nfs/dbraw/zinc/94/37/45/1331943745.db2.gz GZUCMUAOHHELKM-JKSUJKDBSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485314 1331943746 /nfs/dbraw/zinc/94/37/46/1331943746.db2.gz GZUCMUAOHHELKM-JKSUJKDBSA-N 2 2 342.487 3.211 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314940 1333086286 /nfs/dbraw/zinc/08/62/86/1333086286.db2.gz KLWLAHFXFOQLEE-RHSMWYFYSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947314940 1333086289 /nfs/dbraw/zinc/08/62/89/1333086289.db2.gz KLWLAHFXFOQLEE-RHSMWYFYSA-N 2 2 328.460 3.026 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948811975 1333692323 /nfs/dbraw/zinc/69/23/23/1333692323.db2.gz CTHLNUMUIAWZRF-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949111322 1333779559 /nfs/dbraw/zinc/77/95/59/1333779559.db2.gz OLTUXRFHUNGWLS-FQEVSTJZSA-N 2 2 348.450 3.243 20 0 EGADLP CCC(CC)C[NH+]1CC(N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000950628335 1334098522 /nfs/dbraw/zinc/09/85/22/1334098522.db2.gz VCYCOEFBLDYMPM-UHFFFAOYSA-N 2 2 328.460 3.145 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000952407427 1334451301 /nfs/dbraw/zinc/45/13/01/1334451301.db2.gz UXVWCBASEYDMTK-HXUWFJFHSA-N 2 2 347.547 3.282 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000952407427 1334451303 /nfs/dbraw/zinc/45/13/03/1334451303.db2.gz UXVWCBASEYDMTK-HXUWFJFHSA-N 2 2 347.547 3.282 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1C ZINC000968597306 1335977922 /nfs/dbraw/zinc/97/79/22/1335977922.db2.gz VQLNXKCCDMBSAN-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1C ZINC000968597306 1335977923 /nfs/dbraw/zinc/97/79/23/1335977923.db2.gz VQLNXKCCDMBSAN-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969317755 1336199924 /nfs/dbraw/zinc/19/99/24/1336199924.db2.gz HYHYSTJNCSYLKM-DLBZAZTESA-N 2 2 348.450 3.208 20 0 EGADLP Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)c1 ZINC000969408095 1336207610 /nfs/dbraw/zinc/20/76/10/1336207610.db2.gz DWTIHLSNNWGTQR-LJQANCHMSA-N 2 2 337.467 3.320 20 0 EGADLP Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969971900 1336268184 /nfs/dbraw/zinc/26/81/84/1336268184.db2.gz FIKAYGLUVYMYDR-OAHLLOKOSA-N 2 2 348.450 3.122 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001006475376 1336513996 /nfs/dbraw/zinc/51/39/96/1336513996.db2.gz NPUJTMPOMWDDAV-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@@H]1F ZINC001206182493 1370984179 /nfs/dbraw/zinc/98/41/79/1370984179.db2.gz AMDROWJEURRVDP-QWHCGFSZSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@@H]1F ZINC001206182493 1370984184 /nfs/dbraw/zinc/98/41/84/1370984184.db2.gz AMDROWJEURRVDP-QWHCGFSZSA-N 2 2 340.240 3.192 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206771790 1371160716 /nfs/dbraw/zinc/16/07/16/1371160716.db2.gz XQXYYUMVPLSLFX-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206771790 1371160719 /nfs/dbraw/zinc/16/07/19/1371160719.db2.gz XQXYYUMVPLSLFX-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCCC4CCC4)C3)ccn12 ZINC001014447742 1337780531 /nfs/dbraw/zinc/78/05/31/1337780531.db2.gz PHVBFUGSUDYWKT-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCCC4CCC4)C3)ccn12 ZINC001014447742 1337780540 /nfs/dbraw/zinc/78/05/40/1337780540.db2.gz PHVBFUGSUDYWKT-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC001014921475 1337952809 /nfs/dbraw/zinc/95/28/09/1337952809.db2.gz WCJRSGVPUSHASH-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC001014921475 1337952813 /nfs/dbraw/zinc/95/28/13/1337952813.db2.gz WCJRSGVPUSHASH-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP CCc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939712 1337960706 /nfs/dbraw/zinc/96/07/06/1337960706.db2.gz DUOXWDPBFWESCW-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939712 1337960708 /nfs/dbraw/zinc/96/07/08/1337960708.db2.gz DUOXWDPBFWESCW-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC23CC[NH+](CCC2CC2)CC3)c(C)[nH+]1 ZINC001016743098 1338709291 /nfs/dbraw/zinc/70/92/91/1338709291.db2.gz PGBPEGFDKSHRNE-SFHVURJKSA-N 2 2 341.499 3.391 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239430 1340499922 /nfs/dbraw/zinc/49/99/22/1340499922.db2.gz MTMVWQAJTYATSZ-LJQANCHMSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239430 1340499927 /nfs/dbraw/zinc/49/99/27/1340499927.db2.gz MTMVWQAJTYATSZ-LJQANCHMSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001029120843 1340934965 /nfs/dbraw/zinc/93/49/65/1340934965.db2.gz BYBYDSIJAYWSHF-MRXNPFEDSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001029163470 1340946084 /nfs/dbraw/zinc/94/60/84/1340946084.db2.gz MRSCCYIPUGSALI-MRXNPFEDSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025622 1341160545 /nfs/dbraw/zinc/16/05/45/1341160545.db2.gz COTLDLOAKVWXLD-HDMKZQKVSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025622 1341160546 /nfs/dbraw/zinc/16/05/46/1341160546.db2.gz COTLDLOAKVWXLD-HDMKZQKVSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025622 1341160547 /nfs/dbraw/zinc/16/05/47/1341160547.db2.gz COTLDLOAKVWXLD-HDMKZQKVSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025622 1341160548 /nfs/dbraw/zinc/16/05/48/1341160548.db2.gz COTLDLOAKVWXLD-HDMKZQKVSA-N 2 2 349.906 3.076 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001030313047 1341177867 /nfs/dbraw/zinc/17/78/67/1341177867.db2.gz OGHWLMGDLCWEQM-IBGZPJMESA-N 2 2 343.515 3.203 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839715 1341630845 /nfs/dbraw/zinc/63/08/45/1341630845.db2.gz FOJXOKMIUUOENF-DAYGRLMNSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839715 1341630848 /nfs/dbraw/zinc/63/08/48/1341630848.db2.gz FOJXOKMIUUOENF-DAYGRLMNSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839715 1341630851 /nfs/dbraw/zinc/63/08/51/1341630851.db2.gz FOJXOKMIUUOENF-DAYGRLMNSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839715 1341630855 /nfs/dbraw/zinc/63/08/55/1341630855.db2.gz FOJXOKMIUUOENF-DAYGRLMNSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001034745249 1342733650 /nfs/dbraw/zinc/73/36/50/1342733650.db2.gz GMWNOAXTKHHYLS-SZMVWBNQSA-N 2 2 340.471 3.039 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001034761670 1342742658 /nfs/dbraw/zinc/74/26/58/1342742658.db2.gz REMURJZWJNGFRJ-XSLAGTTESA-N 2 2 346.519 3.186 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC001034990367 1342866921 /nfs/dbraw/zinc/86/69/21/1342866921.db2.gz BJKBGXQGNMTQBZ-GOSISDBHSA-N 2 2 348.450 3.037 20 0 EGADLP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231760 1343053501 /nfs/dbraw/zinc/05/35/01/1343053501.db2.gz QOJJTFGOIPUYAB-SFHVURJKSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231760 1343053505 /nfs/dbraw/zinc/05/35/05/1343053505.db2.gz QOJJTFGOIPUYAB-SFHVURJKSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231759 1343053635 /nfs/dbraw/zinc/05/36/35/1343053635.db2.gz QOJJTFGOIPUYAB-GOSISDBHSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035231759 1343053637 /nfs/dbraw/zinc/05/36/37/1343053637.db2.gz QOJJTFGOIPUYAB-GOSISDBHSA-N 2 2 344.503 3.115 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001036273819 1343391208 /nfs/dbraw/zinc/39/12/08/1343391208.db2.gz HOMQCAGVQANWDR-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036314106 1343414328 /nfs/dbraw/zinc/41/43/28/1343414328.db2.gz MJWHLIPMPNMJTK-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037970854 1344211463 /nfs/dbraw/zinc/21/14/63/1344211463.db2.gz UVVTZHGTGJLRHI-QZTJIDSGSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039162602 1344847812 /nfs/dbraw/zinc/84/78/12/1344847812.db2.gz XRPBOTWVSBOWQL-PKOBYXMFSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039162602 1344847816 /nfs/dbraw/zinc/84/78/16/1344847816.db2.gz XRPBOTWVSBOWQL-PKOBYXMFSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](c1cccc2ccccc21)[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043976931 1346226735 /nfs/dbraw/zinc/22/67/35/1346226735.db2.gz HJFRWPLTZKLOEV-OAHLLOKOSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678822 1346401620 /nfs/dbraw/zinc/40/16/20/1346401620.db2.gz ZFGPGYVVJRCNQB-RDJZCZTQSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044809874 1346432381 /nfs/dbraw/zinc/43/23/81/1346432381.db2.gz RWMLMXLKOHNDGY-WBVHZDCISA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935855 1346773057 /nfs/dbraw/zinc/77/30/57/1346773057.db2.gz UWUILPLRRHULTB-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935855 1346773058 /nfs/dbraw/zinc/77/30/58/1346773058.db2.gz UWUILPLRRHULTB-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980407 1346817498 /nfs/dbraw/zinc/81/74/98/1346817498.db2.gz XYWROYJKKZUAQY-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980407 1346817501 /nfs/dbraw/zinc/81/75/01/1346817501.db2.gz XYWROYJKKZUAQY-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001047264560 1347285456 /nfs/dbraw/zinc/28/54/56/1347285456.db2.gz OXBWJUVDNYOFGG-QGZVFWFLSA-N 2 2 346.519 3.046 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478143 1347868342 /nfs/dbraw/zinc/86/83/42/1347868342.db2.gz LNPOQDHOPOFFJG-ZWKOTPCHSA-N 2 2 340.471 3.122 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478143 1347868347 /nfs/dbraw/zinc/86/83/47/1347868347.db2.gz LNPOQDHOPOFFJG-ZWKOTPCHSA-N 2 2 340.471 3.122 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077294 1348174383 /nfs/dbraw/zinc/17/43/83/1348174383.db2.gz QUJOCPAZAXXNBD-YZVOILCLSA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077294 1348174384 /nfs/dbraw/zinc/17/43/84/1348174384.db2.gz QUJOCPAZAXXNBD-YZVOILCLSA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970818 1348780720 /nfs/dbraw/zinc/78/07/20/1348780720.db2.gz YOYFIPLJPBXFLA-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970818 1348780721 /nfs/dbraw/zinc/78/07/21/1348780721.db2.gz YOYFIPLJPBXFLA-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087500 1348912284 /nfs/dbraw/zinc/91/22/84/1348912284.db2.gz LJGZDYVKIFXHOB-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087500 1348912287 /nfs/dbraw/zinc/91/22/87/1348912287.db2.gz LJGZDYVKIFXHOB-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087500 1348912296 /nfs/dbraw/zinc/91/22/96/1348912296.db2.gz LJGZDYVKIFXHOB-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087500 1348912300 /nfs/dbraw/zinc/91/23/00/1348912300.db2.gz LJGZDYVKIFXHOB-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087594 1348912413 /nfs/dbraw/zinc/91/24/13/1348912413.db2.gz MMQGMARWKIVOPK-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087594 1348912414 /nfs/dbraw/zinc/91/24/14/1348912414.db2.gz MMQGMARWKIVOPK-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087594 1348912417 /nfs/dbraw/zinc/91/24/17/1348912417.db2.gz MMQGMARWKIVOPK-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087594 1348912419 /nfs/dbraw/zinc/91/24/19/1348912419.db2.gz MMQGMARWKIVOPK-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP 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GISAPQPBMKAVPN-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224260 1365443640 /nfs/dbraw/zinc/44/36/40/1365443640.db2.gz RYZAUZURVPVBCO-GVDBMIGSSA-N 2 2 342.487 3.068 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224260 1365443644 /nfs/dbraw/zinc/44/36/44/1365443644.db2.gz RYZAUZURVPVBCO-GVDBMIGSSA-N 2 2 342.487 3.068 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517315 1365608644 /nfs/dbraw/zinc/60/86/44/1365608644.db2.gz ISJBKNZCCPVJQW-CPRFOPHYSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517315 1365608645 /nfs/dbraw/zinc/60/86/45/1365608645.db2.gz ISJBKNZCCPVJQW-CPRFOPHYSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517315 1365608647 /nfs/dbraw/zinc/60/86/47/1365608647.db2.gz ISJBKNZCCPVJQW-CPRFOPHYSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517315 1365608650 /nfs/dbraw/zinc/60/86/50/1365608650.db2.gz ISJBKNZCCPVJQW-CPRFOPHYSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414175 1366013899 /nfs/dbraw/zinc/01/38/99/1366013899.db2.gz GSCFTXHJJDDJHF-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001104441470 1366030606 /nfs/dbraw/zinc/03/06/06/1366030606.db2.gz PPBPRRAIMPGPJV-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104911967 1366220559 /nfs/dbraw/zinc/22/05/59/1366220559.db2.gz JJQMLJMJMHDUJB-IAGOWNOFSA-N 2 2 348.535 3.342 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567920 1366536031 /nfs/dbraw/zinc/53/60/31/1366536031.db2.gz AONXBZPZVPTTFM-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567920 1366536032 /nfs/dbraw/zinc/53/60/32/1366536032.db2.gz AONXBZPZVPTTFM-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001109223396 1367012345 /nfs/dbraw/zinc/01/23/45/1367012345.db2.gz ZKRKCVAHBLDVGJ-SQNIBIBYSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001109223396 1367012350 /nfs/dbraw/zinc/01/23/50/1367012350.db2.gz ZKRKCVAHBLDVGJ-SQNIBIBYSA-N 2 2 344.503 3.034 20 0 EGADLP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001109419527 1367113024 /nfs/dbraw/zinc/11/30/24/1367113024.db2.gz UFWKRCCPLYAIDN-JLOCXQCDSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001109419527 1367113027 /nfs/dbraw/zinc/11/30/27/1367113027.db2.gz UFWKRCCPLYAIDN-JLOCXQCDSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001109419527 1367113028 /nfs/dbraw/zinc/11/30/28/1367113028.db2.gz UFWKRCCPLYAIDN-JLOCXQCDSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001109419527 1367113032 /nfs/dbraw/zinc/11/30/32/1367113032.db2.gz UFWKRCCPLYAIDN-JLOCXQCDSA-N 2 2 344.503 3.061 20 0 EGADLP C[NH+]1C(C)(C)CC(NC(=O)c2ccccc2-n2cc[nH+]c2)CC1(C)C ZINC001190106433 1367174395 /nfs/dbraw/zinc/17/43/95/1367174395.db2.gz IXLZRZZJNSDKNL-UHFFFAOYSA-N 2 2 340.471 3.254 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001109773200 1367315207 /nfs/dbraw/zinc/31/52/07/1367315207.db2.gz KMCAWXDRZJLFEJ-YSHGAJCASA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001109773200 1367315216 /nfs/dbraw/zinc/31/52/16/1367315216.db2.gz KMCAWXDRZJLFEJ-YSHGAJCASA-N 2 2 344.503 3.136 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001191257020 1367460604 /nfs/dbraw/zinc/46/06/04/1367460604.db2.gz HWXAVCKPXPLNDC-UYAOXDASSA-N 2 2 345.531 3.400 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC001191257020 1367460607 /nfs/dbraw/zinc/46/06/07/1367460607.db2.gz HWXAVCKPXPLNDC-UYAOXDASSA-N 2 2 345.531 3.400 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576932 1367822659 /nfs/dbraw/zinc/82/26/59/1367822659.db2.gz BJDBDIXOBNPHDA-DLBZAZTESA-N 2 2 334.508 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576932 1367822664 /nfs/dbraw/zinc/82/26/64/1367822664.db2.gz BJDBDIXOBNPHDA-DLBZAZTESA-N 2 2 334.508 3.193 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001325166024 1387908927 /nfs/dbraw/zinc/90/89/27/1387908927.db2.gz MDQRWIPHHSNKPU-AWEZNQCLSA-N 2 2 339.226 3.488 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125805 1368161478 /nfs/dbraw/zinc/16/14/78/1368161478.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125805 1368161482 /nfs/dbraw/zinc/16/14/82/1368161482.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125805 1368161483 /nfs/dbraw/zinc/16/14/83/1368161483.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125805 1368161489 /nfs/dbraw/zinc/16/14/89/1368161489.db2.gz NDSLUUWPVIJMBK-RWSQOZJESA-N 2 2 344.503 3.056 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194918425 1368347673 /nfs/dbraw/zinc/34/76/73/1368347673.db2.gz VOKRGCVPCMXTFD-INIZCTEOSA-N 2 2 340.471 3.081 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194918425 1368347679 /nfs/dbraw/zinc/34/76/79/1368347679.db2.gz VOKRGCVPCMXTFD-INIZCTEOSA-N 2 2 340.471 3.081 20 0 EGADLP CC(C)C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001112418268 1368834338 /nfs/dbraw/zinc/83/43/38/1368834338.db2.gz QWQIXNRJMFKSRL-NSHGMRRFSA-N 2 2 346.519 3.097 20 0 EGADLP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1Cl ZINC001197931076 1368926381 /nfs/dbraw/zinc/92/63/81/1368926381.db2.gz VAVYDOHLJKDTEN-CQSZACIVSA-N 2 2 331.847 3.454 20 0 EGADLP COc1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1Cl ZINC001197931076 1368926384 /nfs/dbraw/zinc/92/63/84/1368926384.db2.gz VAVYDOHLJKDTEN-CQSZACIVSA-N 2 2 331.847 3.454 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001198368345 1369016696 /nfs/dbraw/zinc/01/66/96/1369016696.db2.gz UZOHSYLOXDKXML-UHFFFAOYSA-N 2 2 344.503 3.088 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001198368345 1369016699 /nfs/dbraw/zinc/01/66/99/1369016699.db2.gz UZOHSYLOXDKXML-UHFFFAOYSA-N 2 2 344.503 3.088 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113016116 1369138781 /nfs/dbraw/zinc/13/87/81/1369138781.db2.gz USYLAQJMDKXXEF-OAHLLOKOSA-N 2 2 328.460 3.003 20 0 EGADLP Cc1csc(N2CCC([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 ZINC001199608774 1369244186 /nfs/dbraw/zinc/24/41/86/1369244186.db2.gz LADMYBGMQVQUOT-MRXNPFEDSA-N 2 2 347.532 3.321 20 0 EGADLP c1c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)nc2ccccn12 ZINC001199925008 1369291542 /nfs/dbraw/zinc/29/15/42/1369291542.db2.gz LVUMNDSKFBFYMZ-UHFFFAOYSA-N 2 2 326.488 3.469 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113399213 1369399034 /nfs/dbraw/zinc/39/90/34/1369399034.db2.gz UXPKETJDVHQDQN-SREVYHEPSA-N 2 2 346.519 3.287 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001113438813 1369428891 /nfs/dbraw/zinc/42/88/91/1369428891.db2.gz INMSOVMDSSDOKU-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001113438813 1369428894 /nfs/dbraw/zinc/42/88/94/1369428894.db2.gz INMSOVMDSSDOKU-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558562 1369575678 /nfs/dbraw/zinc/57/56/78/1369575678.db2.gz CRAVKURICLYLSA-RLLQIKCJSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558562 1369575681 /nfs/dbraw/zinc/57/56/81/1369575681.db2.gz CRAVKURICLYLSA-RLLQIKCJSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558562 1369575684 /nfs/dbraw/zinc/57/56/84/1369575684.db2.gz CRAVKURICLYLSA-RLLQIKCJSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201558562 1369575687 /nfs/dbraw/zinc/57/56/87/1369575687.db2.gz CRAVKURICLYLSA-RLLQIKCJSA-N 2 2 332.536 3.390 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC001201920019 1369642711 /nfs/dbraw/zinc/64/27/11/1369642711.db2.gz LTAGANFULOROFS-AWEZNQCLSA-N 2 2 346.500 3.172 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446511 1369774382 /nfs/dbraw/zinc/77/43/82/1369774382.db2.gz CMUPNIFLBFDDMB-INIZCTEOSA-N 2 2 346.519 3.237 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161137 1370005600 /nfs/dbraw/zinc/00/56/00/1370005600.db2.gz PMUHVXUEZDWCBM-DLBZAZTESA-N 2 2 340.471 3.155 20 0 EGADLP CCc1[nH]c(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203251925 1370041684 /nfs/dbraw/zinc/04/16/84/1370041684.db2.gz RJXKAZZVVKEBLN-SFHVURJKSA-N 2 2 326.488 3.377 20 0 EGADLP CCc1[nH]c(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203251925 1370041688 /nfs/dbraw/zinc/04/16/88/1370041688.db2.gz RJXKAZZVVKEBLN-SFHVURJKSA-N 2 2 326.488 3.377 20 0 EGADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001203802504 1370271561 /nfs/dbraw/zinc/27/15/61/1370271561.db2.gz HIYIAEKMOZVHFZ-UHFFFAOYSA-N 2 2 347.286 3.310 20 0 EGADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC001203802504 1370271564 /nfs/dbraw/zinc/27/15/64/1370271564.db2.gz HIYIAEKMOZVHFZ-UHFFFAOYSA-N 2 2 347.286 3.310 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814562 1370274813 /nfs/dbraw/zinc/27/48/13/1370274813.db2.gz KUCGEZSOKXUXST-ZWKOTPCHSA-N 2 2 346.519 3.117 20 0 EGADLP CC(=O)Oc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001203952786 1370326830 /nfs/dbraw/zinc/32/68/30/1370326830.db2.gz KLYBPHKNTUYVMN-UHFFFAOYSA-N 2 2 330.472 3.451 20 0 EGADLP CC(=O)Oc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001203952786 1370326838 /nfs/dbraw/zinc/32/68/38/1370326838.db2.gz KLYBPHKNTUYVMN-UHFFFAOYSA-N 2 2 330.472 3.451 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001204069848 1370367549 /nfs/dbraw/zinc/36/75/49/1370367549.db2.gz WBTMEKFXUVUJIG-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP CCOc1cc(Nc2cccc(CC[NH+]3CCOCC3)c2)cc(C)[nH+]1 ZINC001204342245 1370448022 /nfs/dbraw/zinc/44/80/22/1370448022.db2.gz CJARAFNHBFVTBZ-UHFFFAOYSA-N 2 2 341.455 3.407 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115509941 1370508642 /nfs/dbraw/zinc/50/86/42/1370508642.db2.gz HQEULRNJPMDBKR-QGZVFWFLSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001204782638 1370575047 /nfs/dbraw/zinc/57/50/47/1370575047.db2.gz HUMCHTXSIZTOFU-QGZVFWFLSA-N 2 2 346.272 3.434 20 0 EGADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001204782638 1370575055 /nfs/dbraw/zinc/57/50/55/1370575055.db2.gz HUMCHTXSIZTOFU-QGZVFWFLSA-N 2 2 346.272 3.434 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001205016222 1370628740 /nfs/dbraw/zinc/62/87/40/1370628740.db2.gz GWWFKGMYSBQRSC-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C)c(Br)c(C)c2)C1 ZINC001205016222 1370628743 /nfs/dbraw/zinc/62/87/43/1370628743.db2.gz GWWFKGMYSBQRSC-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001205016283 1370628787 /nfs/dbraw/zinc/62/87/87/1370628787.db2.gz IEPZAPXWRAOGNU-GFCCVEGCSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3Br)C1 ZINC001205016283 1370628791 /nfs/dbraw/zinc/62/87/91/1370628791.db2.gz IEPZAPXWRAOGNU-GFCCVEGCSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(OC)c2)C1 ZINC001205015704 1370629009 /nfs/dbraw/zinc/62/90/09/1370629009.db2.gz DACMNBAWKLZONE-CYBMUJFWSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(OC)c2)C1 ZINC001205015704 1370629012 /nfs/dbraw/zinc/62/90/12/1370629012.db2.gz DACMNBAWKLZONE-CYBMUJFWSA-N 2 2 332.366 3.025 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205124711 1370657595 /nfs/dbraw/zinc/65/75/95/1370657595.db2.gz YNRSTODSNIBKOM-LBPRGKRZSA-N 2 2 332.366 3.036 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205124711 1370657599 /nfs/dbraw/zinc/65/75/99/1370657599.db2.gz YNRSTODSNIBKOM-LBPRGKRZSA-N 2 2 332.366 3.036 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725113 1370705362 /nfs/dbraw/zinc/70/53/62/1370705362.db2.gz KYHFOZPTOYXHHX-INIZCTEOSA-N 2 2 346.519 3.284 20 0 EGADLP C[C@H]1CC[N@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306551 1370715032 /nfs/dbraw/zinc/71/50/32/1370715032.db2.gz WZEFUIRBYFSMPY-QWRGUYRKSA-N 2 2 330.929 3.424 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306551 1370715035 /nfs/dbraw/zinc/71/50/35/1370715035.db2.gz WZEFUIRBYFSMPY-QWRGUYRKSA-N 2 2 330.929 3.424 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001205339952 1370726224 /nfs/dbraw/zinc/72/62/24/1370726224.db2.gz OOGUMHVVTUJNQK-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001205339952 1370726227 /nfs/dbraw/zinc/72/62/27/1370726227.db2.gz OOGUMHVVTUJNQK-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790707 1370773133 /nfs/dbraw/zinc/77/31/33/1370773133.db2.gz YBEAWQHYVKCUBQ-INIZCTEOSA-N 2 2 334.508 3.043 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205856719 1370893950 /nfs/dbraw/zinc/89/39/50/1370893950.db2.gz YCLFIHVAHZAELG-CABCVRRESA-N 2 2 328.456 3.416 20 0 EGADLP COc1cc(OC)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205856719 1370893954 /nfs/dbraw/zinc/89/39/54/1370893954.db2.gz YCLFIHVAHZAELG-CABCVRRESA-N 2 2 328.456 3.416 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1F ZINC001205915829 1370909687 /nfs/dbraw/zinc/90/96/87/1370909687.db2.gz QSYGMDRKTXKADT-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1F ZINC001205915829 1370909684 /nfs/dbraw/zinc/90/96/84/1370909684.db2.gz QSYGMDRKTXKADT-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205922893 1370912365 /nfs/dbraw/zinc/91/23/65/1370912365.db2.gz CWTXZRKYBSWXRR-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205922893 1370912374 /nfs/dbraw/zinc/91/23/74/1370912374.db2.gz CWTXZRKYBSWXRR-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001206327420 1371023310 /nfs/dbraw/zinc/02/33/10/1371023310.db2.gz WGJQNOGLOIULLU-SFHVURJKSA-N 3 2 332.879 3.477 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001206327420 1371023312 /nfs/dbraw/zinc/02/33/12/1371023312.db2.gz WGJQNOGLOIULLU-SFHVURJKSA-N 3 2 332.879 3.477 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001206550227 1371090974 /nfs/dbraw/zinc/09/09/74/1371090974.db2.gz XWNGQANJIUOMEV-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Br ZINC001206550227 1371090978 /nfs/dbraw/zinc/09/09/78/1371090978.db2.gz XWNGQANJIUOMEV-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001206623355 1371111839 /nfs/dbraw/zinc/11/18/39/1371111839.db2.gz LGNNVAMADDXVQK-ZDUSSCGKSA-N 2 2 342.940 3.348 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001206623355 1371111842 /nfs/dbraw/zinc/11/18/42/1371111842.db2.gz LGNNVAMADDXVQK-ZDUSSCGKSA-N 2 2 342.940 3.348 20 0 EGADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001206671201 1371128339 /nfs/dbraw/zinc/12/83/39/1371128339.db2.gz LGHHNXDTNFZDGY-LJQANCHMSA-N 2 2 341.430 3.144 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)n1C ZINC001206793480 1371169051 /nfs/dbraw/zinc/16/90/51/1371169051.db2.gz YMRPTBYCMGTQFR-IBGZPJMESA-N 3 2 342.487 3.198 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805709 1371174884 /nfs/dbraw/zinc/17/48/84/1371174884.db2.gz CQULUEORKJZDTB-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805709 1371174885 /nfs/dbraw/zinc/17/48/85/1371174885.db2.gz CQULUEORKJZDTB-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(C)(C)C[NH+](C)C)CC1)O2 ZINC001207282337 1371350783 /nfs/dbraw/zinc/35/07/83/1371350783.db2.gz IWIFZGSCIAKLGK-UHFFFAOYSA-N 2 2 344.499 3.383 20 0 EGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@@H+](CCCCc1ccccc1)C2 ZINC001207610350 1371451187 /nfs/dbraw/zinc/45/11/87/1371451187.db2.gz ICWKQNNZUULVFP-UHFFFAOYSA-N 2 2 338.499 3.317 20 0 EGADLP c1c(C[NH+]2CCCC2)nc2n1CC[N@H+](CCCCc1ccccc1)C2 ZINC001207610350 1371451191 /nfs/dbraw/zinc/45/11/91/1371451191.db2.gz ICWKQNNZUULVFP-UHFFFAOYSA-N 2 2 338.499 3.317 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001207611910 1371451955 /nfs/dbraw/zinc/45/19/55/1371451955.db2.gz SBNXOKLWNIKNCX-SFTDATJTSA-N 2 2 335.495 3.468 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625308 1371457148 /nfs/dbraw/zinc/45/71/48/1371457148.db2.gz OCZVTNVFWYTZGS-YYWYGQEZSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625308 1371457149 /nfs/dbraw/zinc/45/71/49/1371457149.db2.gz OCZVTNVFWYTZGS-YYWYGQEZSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625308 1371457152 /nfs/dbraw/zinc/45/71/52/1371457152.db2.gz OCZVTNVFWYTZGS-YYWYGQEZSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@H]32)n1 ZINC001207625308 1371457155 /nfs/dbraw/zinc/45/71/55/1371457155.db2.gz OCZVTNVFWYTZGS-YYWYGQEZSA-N 2 2 329.513 3.252 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681517 1371472905 /nfs/dbraw/zinc/47/29/05/1371472905.db2.gz VKLNGGCJLNXQLQ-ILJUCERVSA-N 2 2 346.519 3.110 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681517 1371472907 /nfs/dbraw/zinc/47/29/07/1371472907.db2.gz VKLNGGCJLNXQLQ-ILJUCERVSA-N 2 2 346.519 3.110 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001120248626 1371514014 /nfs/dbraw/zinc/51/40/14/1371514014.db2.gz JEIMDCRYUBBAQC-UHFFFAOYSA-N 2 2 344.503 3.182 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439168 1371577139 /nfs/dbraw/zinc/57/71/39/1371577139.db2.gz FCJYSZIKOYLJCZ-GRFNRIFCSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439168 1371577142 /nfs/dbraw/zinc/57/71/42/1371577142.db2.gz FCJYSZIKOYLJCZ-GRFNRIFCSA-N 2 2 344.503 3.012 20 0 EGADLP CCCCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208049881 1371580279 /nfs/dbraw/zinc/58/02/79/1371580279.db2.gz RTQRAIAURQIOBS-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459522 1371583348 /nfs/dbraw/zinc/58/33/48/1371583348.db2.gz MYCIGQLKZKNLPX-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459522 1371583350 /nfs/dbraw/zinc/58/33/50/1371583350.db2.gz MYCIGQLKZKNLPX-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001208159320 1371613270 /nfs/dbraw/zinc/61/32/70/1371613270.db2.gz FDFDAMCIOWMLGV-VMXMFDLUSA-N 2 2 325.500 3.438 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252610 1371682944 /nfs/dbraw/zinc/68/29/44/1371682944.db2.gz PFZOGLCJULQJLA-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252610 1371682983 /nfs/dbraw/zinc/68/29/83/1371682983.db2.gz PFZOGLCJULQJLA-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551797 1371814017 /nfs/dbraw/zinc/81/40/17/1371814017.db2.gz OSIJVWYAMITIGJ-IAGOWNOFSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1cccnc1)[C@@H]2C ZINC001209173702 1372024695 /nfs/dbraw/zinc/02/46/95/1372024695.db2.gz GZMJYYFYNOEXLR-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1cccnc1)[C@@H]2C ZINC001209173702 1372024699 /nfs/dbraw/zinc/02/46/99/1372024699.db2.gz GZMJYYFYNOEXLR-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1cccnc1)[C@@H]2C ZINC001209173702 1372024703 /nfs/dbraw/zinc/02/47/03/1372024703.db2.gz GZMJYYFYNOEXLR-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360205 1372077679 /nfs/dbraw/zinc/07/76/79/1372077679.db2.gz XRHJNQKSGLCERI-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360205 1372077685 /nfs/dbraw/zinc/07/76/85/1372077685.db2.gz XRHJNQKSGLCERI-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360205 1372077689 /nfs/dbraw/zinc/07/76/89/1372077689.db2.gz XRHJNQKSGLCERI-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360205 1372077695 /nfs/dbraw/zinc/07/76/95/1372077695.db2.gz XRHJNQKSGLCERI-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209450429 1372109520 /nfs/dbraw/zinc/10/95/20/1372109520.db2.gz JDUCJYFUAVNZNS-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC001209450429 1372109524 /nfs/dbraw/zinc/10/95/24/1372109524.db2.gz JDUCJYFUAVNZNS-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515642 1372126170 /nfs/dbraw/zinc/12/61/70/1372126170.db2.gz YTDOAHPKPUXRNW-LJQANCHMSA-N 2 2 327.472 3.243 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515642 1372126176 /nfs/dbraw/zinc/12/61/76/1372126176.db2.gz YTDOAHPKPUXRNW-LJQANCHMSA-N 2 2 327.472 3.243 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncs3)C[C@H]21 ZINC001209549458 1372134355 /nfs/dbraw/zinc/13/43/55/1372134355.db2.gz USICJKNUXTWPJM-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncs3)C[C@H]21 ZINC001209549458 1372134357 /nfs/dbraw/zinc/13/43/57/1372134357.db2.gz USICJKNUXTWPJM-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC001209549458 1372134358 /nfs/dbraw/zinc/13/43/58/1372134358.db2.gz USICJKNUXTWPJM-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC001209549458 1372134360 /nfs/dbraw/zinc/13/43/60/1372134360.db2.gz USICJKNUXTWPJM-KFKAGJAMSA-N 2 2 342.512 3.271 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC001122016045 1372153600 /nfs/dbraw/zinc/15/36/00/1372153600.db2.gz VKFGKXRPARHKGS-LJQANCHMSA-N 2 2 341.430 3.278 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC001122016045 1372153603 /nfs/dbraw/zinc/15/36/03/1372153603.db2.gz VKFGKXRPARHKGS-LJQANCHMSA-N 2 2 341.430 3.278 20 0 EGADLP Cc1nc2ccccn2c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209653176 1372162393 /nfs/dbraw/zinc/16/23/93/1372162393.db2.gz MHZJGEDJNJOTCJ-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1nc2ccccn2c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209653176 1372162397 /nfs/dbraw/zinc/16/23/97/1372162397.db2.gz MHZJGEDJNJOTCJ-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](Cc3c[nH+]ccc3N)C2)c1 ZINC001209733946 1372179688 /nfs/dbraw/zinc/17/96/88/1372179688.db2.gz JATPSRPLPFRSSG-HNNXBMFYSA-N 2 2 331.847 3.499 20 0 EGADLP Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](Cc3c[nH+]ccc3N)C2)c1 ZINC001209733946 1372179694 /nfs/dbraw/zinc/17/96/94/1372179694.db2.gz JATPSRPLPFRSSG-HNNXBMFYSA-N 2 2 331.847 3.499 20 0 EGADLP [NH3+]CCN1CC[NH+](Cc2ccc(-c3ccccc3)cc2Cl)CC1 ZINC001210028011 1372259219 /nfs/dbraw/zinc/25/92/19/1372259219.db2.gz HGUPKPMNEBFKDK-UHFFFAOYSA-N 2 2 329.875 3.083 20 0 EGADLP Cc1ccc2c(Nc3cccnc3N3CC[NH+](C)CC3)cccc2[nH+]1 ZINC001212795291 1372773299 /nfs/dbraw/zinc/77/32/99/1372773299.db2.gz ZDSZWEDFHZBJPW-UHFFFAOYSA-N 2 2 333.439 3.434 20 0 EGADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001213893563 1372975170 /nfs/dbraw/zinc/97/51/70/1372975170.db2.gz KBAOFFISBRHINM-UHFFFAOYSA-N 2 2 349.438 3.034 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C3)ccn12 ZINC001214632226 1373092775 /nfs/dbraw/zinc/09/27/75/1373092775.db2.gz GTFNCWCNRDHOOA-RHSMWYFYSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917394 1373141670 /nfs/dbraw/zinc/14/16/70/1373141670.db2.gz YTQYEGSYQZYPHL-QRVBRYPASA-N 2 2 348.535 3.343 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccnn2CC(C)C)[nH+]1 ZINC001326599042 1388254843 /nfs/dbraw/zinc/25/48/43/1388254843.db2.gz PCLHEXKBTZEIEO-QGZVFWFLSA-N 2 2 327.476 3.319 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccnn2CC(C)C)[nH+]1 ZINC001326599042 1388254852 /nfs/dbraw/zinc/25/48/52/1388254852.db2.gz PCLHEXKBTZEIEO-QGZVFWFLSA-N 2 2 327.476 3.319 20 0 EGADLP C[NH2+]Cc1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001216901845 1373361307 /nfs/dbraw/zinc/36/13/07/1373361307.db2.gz ITMXOTCIJNUZDD-UHFFFAOYSA-N 2 2 331.379 3.309 20 0 EGADLP Cc1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(Cl)c1 ZINC001130266257 1373481336 /nfs/dbraw/zinc/48/13/36/1373481336.db2.gz QTUDXIRZXMPKMG-UHFFFAOYSA-N 2 2 342.830 3.044 20 0 EGADLP Cc1ccc(C2(CC(=O)Nc3ccn4cc[nH+]c4c3)CC[NH2+]CC2)cc1 ZINC001218787820 1373654627 /nfs/dbraw/zinc/65/46/27/1373654627.db2.gz LCXLFCISOLVUTF-UHFFFAOYSA-N 2 2 348.450 3.293 20 0 EGADLP COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131562802 1373721388 /nfs/dbraw/zinc/72/13/88/1373721388.db2.gz KUGYFDDLSZGOGM-OAHLLOKOSA-N 2 2 341.455 3.096 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCCc2ccccc2)c(C)[nH+]1 ZINC001131560259 1373721477 /nfs/dbraw/zinc/72/14/77/1373721477.db2.gz FNFCGQQQSOAEAP-UHFFFAOYSA-N 2 2 339.483 3.349 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131560625 1373721536 /nfs/dbraw/zinc/72/15/36/1373721536.db2.gz VZUATQKHYVVYLN-UHFFFAOYSA-N 2 2 325.456 3.143 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc(C(F)F)c2)c(C)[nH+]1 ZINC001131560563 1373721963 /nfs/dbraw/zinc/72/19/63/1373721963.db2.gz TWYUZZDGORBDBC-UHFFFAOYSA-N 2 2 347.409 3.464 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961544 1375180008 /nfs/dbraw/zinc/18/00/08/1375180008.db2.gz QSHCXOCCYFUZJZ-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CCCCC1 ZINC001132528664 1375442743 /nfs/dbraw/zinc/44/27/43/1375442743.db2.gz FFKQIOABMPYUKD-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CCCCC1 ZINC001132528664 1375442746 /nfs/dbraw/zinc/44/27/46/1375442746.db2.gz FFKQIOABMPYUKD-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229046050 1375750056 /nfs/dbraw/zinc/75/00/56/1375750056.db2.gz ICNFFPWRWFCJLJ-CGTJXYLNSA-N 2 2 334.508 3.186 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229046050 1375750060 /nfs/dbraw/zinc/75/00/60/1375750060.db2.gz ICNFFPWRWFCJLJ-CGTJXYLNSA-N 2 2 334.508 3.186 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133245401 1375865605 /nfs/dbraw/zinc/86/56/05/1375865605.db2.gz DJSLIPASKRRVOJ-YMPXZSTISA-N 2 2 346.519 3.118 20 0 EGADLP C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001133246130 1375866897 /nfs/dbraw/zinc/86/68/97/1375866897.db2.gz QQFXLYAQNQQIPM-CVEARBPZSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001229933144 1375921110 /nfs/dbraw/zinc/92/11/10/1375921110.db2.gz ILGZADXURDBPGR-QZTJIDSGSA-N 2 2 346.519 3.248 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872968 1376332858 /nfs/dbraw/zinc/33/28/58/1376332858.db2.gz VHHQAYHXVSCZKT-HXUWFJFHSA-N 2 2 329.488 3.321 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872968 1376332866 /nfs/dbraw/zinc/33/28/66/1376332866.db2.gz VHHQAYHXVSCZKT-HXUWFJFHSA-N 2 2 329.488 3.321 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872968 1376332869 /nfs/dbraw/zinc/33/28/69/1376332869.db2.gz VHHQAYHXVSCZKT-HXUWFJFHSA-N 2 2 329.488 3.321 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872968 1376332873 /nfs/dbraw/zinc/33/28/73/1376332873.db2.gz VHHQAYHXVSCZKT-HXUWFJFHSA-N 2 2 329.488 3.321 20 0 EGADLP Cc1cc(Br)cnc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232053026 1376391378 /nfs/dbraw/zinc/39/13/78/1376391378.db2.gz SRDLRXNNINMXFK-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1cc(Br)cnc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232053026 1376391387 /nfs/dbraw/zinc/39/13/87/1376391387.db2.gz SRDLRXNNINMXFK-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143375 1376408691 /nfs/dbraw/zinc/40/86/91/1376408691.db2.gz CAGMXZPAFOHEIR-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143375 1376408693 /nfs/dbraw/zinc/40/86/93/1376408693.db2.gz CAGMXZPAFOHEIR-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143375 1376408699 /nfs/dbraw/zinc/40/86/99/1376408699.db2.gz CAGMXZPAFOHEIR-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143375 1376408706 /nfs/dbraw/zinc/40/87/06/1376408706.db2.gz CAGMXZPAFOHEIR-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnsc3)C[C@H]21 ZINC001232228141 1376419175 /nfs/dbraw/zinc/41/91/75/1376419175.db2.gz MRHPNSXVIMQXCF-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnsc3)C[C@H]21 ZINC001232228141 1376419179 /nfs/dbraw/zinc/41/91/79/1376419179.db2.gz MRHPNSXVIMQXCF-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnsc3)C[C@H]21 ZINC001232228141 1376419183 /nfs/dbraw/zinc/41/91/83/1376419183.db2.gz MRHPNSXVIMQXCF-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnsc3)C[C@H]21 ZINC001232228141 1376419186 /nfs/dbraw/zinc/41/91/86/1376419186.db2.gz MRHPNSXVIMQXCF-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227043 1376423442 /nfs/dbraw/zinc/42/34/42/1376423442.db2.gz AHPJYQYNDNOUHA-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228120 1376424192 /nfs/dbraw/zinc/42/41/92/1376424192.db2.gz LQTPPBZQQSNXKG-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)c1 ZINC001134227477 1376424201 /nfs/dbraw/zinc/42/42/01/1376424201.db2.gz HQDGTGUKVPLWHM-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369239 1376496489 /nfs/dbraw/zinc/49/64/89/1376496489.db2.gz IXWTZDSFLALQMB-GJZGRUSLSA-N 2 2 330.476 3.319 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369957 1376497578 /nfs/dbraw/zinc/49/75/78/1376497578.db2.gz VEBYCCUSJJWAOE-LSDHHAIUSA-N 2 2 328.460 3.095 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544105 1376584783 /nfs/dbraw/zinc/58/47/83/1376584783.db2.gz CPGBNUJHQVHKBZ-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544105 1376584787 /nfs/dbraw/zinc/58/47/87/1376584787.db2.gz CPGBNUJHQVHKBZ-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)C)c[nH+]1 ZINC001134730012 1376682246 /nfs/dbraw/zinc/68/22/46/1376682246.db2.gz RRMKYTHLTFQPJI-HZPDHXFCSA-N 2 2 336.524 3.236 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234067985 1376762477 /nfs/dbraw/zinc/76/24/77/1376762477.db2.gz WDTWSRULODLOJZ-QGZVFWFLSA-N 2 2 334.423 3.265 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc1-n1cc[nH+]c1 ZINC001234067985 1376762486 /nfs/dbraw/zinc/76/24/86/1376762486.db2.gz WDTWSRULODLOJZ-QGZVFWFLSA-N 2 2 334.423 3.265 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969619 1376818666 /nfs/dbraw/zinc/81/86/66/1376818666.db2.gz NEJPFFPGIWRXFV-JKSUJKDBSA-N 2 2 342.487 3.401 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134971726 1376819261 /nfs/dbraw/zinc/81/92/61/1376819261.db2.gz ZBTFUIMOZPWUCE-HZPDHXFCSA-N 2 2 340.471 3.321 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135056423 1376871774 /nfs/dbraw/zinc/87/17/74/1376871774.db2.gz MHRZPIXORNMKKT-IAGOWNOFSA-N 2 2 348.535 3.196 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632742 1376881317 /nfs/dbraw/zinc/88/13/17/1376881317.db2.gz KKRIHCMGLASTCJ-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632742 1376881322 /nfs/dbraw/zinc/88/13/22/1376881322.db2.gz KKRIHCMGLASTCJ-RTBURBONSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]C/C=C\Cl ZINC001135096884 1376894787 /nfs/dbraw/zinc/89/47/87/1376894787.db2.gz CKZCUAAJDQKJPK-MIZNNLFUSA-N 2 2 346.862 3.111 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC1)O2 ZINC001236038330 1376927260 /nfs/dbraw/zinc/92/72/60/1376927260.db2.gz PHHHUTUUWYXNAP-KRWDZBQOSA-N 2 2 342.483 3.327 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138223 1376928939 /nfs/dbraw/zinc/92/89/39/1376928939.db2.gz YLPYRMKOXUHUEH-IRXDYDNUSA-N 2 2 332.492 3.037 20 0 EGADLP Fc1ccc(CN(Cc2ccn3cc[nH+]c3c2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388099 1376952443 /nfs/dbraw/zinc/95/24/43/1376952443.db2.gz COUGWJBVUJNKDN-IBGZPJMESA-N 2 2 338.430 3.228 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC001236737356 1376963573 /nfs/dbraw/zinc/96/35/73/1376963573.db2.gz JOQIHTRMOUQSMD-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC001236737356 1376963580 /nfs/dbraw/zinc/96/35/80/1376963580.db2.gz JOQIHTRMOUQSMD-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2c(cccc2C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC001236737356 1376963588 /nfs/dbraw/zinc/96/35/88/1376963588.db2.gz JOQIHTRMOUQSMD-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2c(cccc2C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC001236737356 1376963595 /nfs/dbraw/zinc/96/35/95/1376963595.db2.gz JOQIHTRMOUQSMD-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP Cc1ccc(Oc2cccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142112 1376976149 /nfs/dbraw/zinc/97/61/49/1376976149.db2.gz MJFLCYQOKDNPGT-OAQYLSRUSA-N 2 2 338.451 3.352 20 0 EGADLP Cc1ccc(Oc2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142112 1376976153 /nfs/dbraw/zinc/97/61/53/1376976153.db2.gz MJFLCYQOKDNPGT-OAQYLSRUSA-N 2 2 338.451 3.352 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)c4cc[nH]c43)CC2)c1 ZINC001248819344 1377071444 /nfs/dbraw/zinc/07/14/44/1377071444.db2.gz WTKFBOODQOLTNS-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553713 1377142613 /nfs/dbraw/zinc/14/26/13/1377142613.db2.gz VWBROCOAMAALKS-HZPDHXFCSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798104 1377213783 /nfs/dbraw/zinc/21/37/83/1377213783.db2.gz BBTSFXJQFLJDSQ-GJZGRUSLSA-N 2 2 334.508 3.042 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001135949216 1377274390 /nfs/dbraw/zinc/27/43/90/1377274390.db2.gz JQUWEJYVJKEYGP-IAGOWNOFSA-N 2 2 348.535 3.196 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c(C)s1 ZINC001136035462 1377306674 /nfs/dbraw/zinc/30/66/74/1377306674.db2.gz OWGLBDDAXUDAPX-RYUDHWBXSA-N 2 2 348.516 3.012 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001267209080 1377430970 /nfs/dbraw/zinc/43/09/70/1377430970.db2.gz IUWRMJOHPUTOJB-QGZVFWFLSA-N 2 2 342.487 3.206 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001267209080 1377430972 /nfs/dbraw/zinc/43/09/72/1377430972.db2.gz IUWRMJOHPUTOJB-QGZVFWFLSA-N 2 2 342.487 3.206 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+]3C[C@H](C)CC(C)C)ccn12 ZINC001269234542 1377544670 /nfs/dbraw/zinc/54/46/70/1377544670.db2.gz ATDQSYOKRFUBJO-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+]3C[C@H](C)CC(C)C)ccn12 ZINC001269234542 1377544672 /nfs/dbraw/zinc/54/46/72/1377544672.db2.gz ATDQSYOKRFUBJO-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)nc(C)[nH+]1 ZINC001138059729 1377672101 /nfs/dbraw/zinc/67/21/01/1377672101.db2.gz JNXJJDKJYUVNKE-UHFFFAOYSA-N 2 2 348.450 3.274 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2nccnc12 ZINC001138308049 1377699445 /nfs/dbraw/zinc/69/94/45/1377699445.db2.gz WSPHEHDAEYZAIH-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2nccnc12 ZINC001138308049 1377699446 /nfs/dbraw/zinc/69/94/46/1377699446.db2.gz WSPHEHDAEYZAIH-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP Oc1cc(O)cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332719 1377704172 /nfs/dbraw/zinc/70/41/72/1377704172.db2.gz HRLUSMPAKWWCOD-MOPGFXCFSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332719 1377704175 /nfs/dbraw/zinc/70/41/75/1377704175.db2.gz HRLUSMPAKWWCOD-MOPGFXCFSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332719 1377704176 /nfs/dbraw/zinc/70/41/76/1377704176.db2.gz HRLUSMPAKWWCOD-MOPGFXCFSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001138332719 1377704178 /nfs/dbraw/zinc/70/41/78/1377704178.db2.gz HRLUSMPAKWWCOD-MOPGFXCFSA-N 2 2 338.451 3.052 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1C ZINC001138642653 1377760303 /nfs/dbraw/zinc/76/03/03/1377760303.db2.gz ITVCOVMTIZNEDA-IRXDYDNUSA-N 2 2 344.528 3.145 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001138802431 1377787112 /nfs/dbraw/zinc/78/71/12/1377787112.db2.gz FRRVVTOKAKDSOU-OAHLLOKOSA-N 2 2 346.500 3.346 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001138802431 1377787114 /nfs/dbraw/zinc/78/71/14/1377787114.db2.gz FRRVVTOKAKDSOU-OAHLLOKOSA-N 2 2 346.500 3.346 20 0 EGADLP Clc1cc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)ccn1 ZINC001138819054 1377791251 /nfs/dbraw/zinc/79/12/51/1377791251.db2.gz ZCFGGSGTTNTLEB-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1cc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)ccn1 ZINC001138819054 1377791252 /nfs/dbraw/zinc/79/12/52/1377791252.db2.gz ZCFGGSGTTNTLEB-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)ccn1 ZINC001138819054 1377791253 /nfs/dbraw/zinc/79/12/53/1377791253.db2.gz ZCFGGSGTTNTLEB-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)ccn1 ZINC001138819054 1377791254 /nfs/dbraw/zinc/79/12/54/1377791254.db2.gz ZCFGGSGTTNTLEB-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP CCC(=O)Oc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001138967674 1377811053 /nfs/dbraw/zinc/81/10/53/1377811053.db2.gz UKBAOJUBAAIMKU-SFHVURJKSA-N 2 2 340.423 3.359 20 0 EGADLP CCC(=O)Oc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001138967674 1377811054 /nfs/dbraw/zinc/81/10/54/1377811054.db2.gz UKBAOJUBAAIMKU-SFHVURJKSA-N 2 2 340.423 3.359 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](Cc3ccc4nonc4c3)CC1)C2 ZINC001139222857 1377855642 /nfs/dbraw/zinc/85/56/42/1377855642.db2.gz XHQKMMBDQXVDET-UHFFFAOYSA-N 2 2 348.450 3.246 20 0 EGADLP c1ccc2c(c1)CC[N@H+](C1CC[NH+](Cc3ccc4nonc4c3)CC1)C2 ZINC001139222857 1377855647 /nfs/dbraw/zinc/85/56/47/1377855647.db2.gz XHQKMMBDQXVDET-UHFFFAOYSA-N 2 2 348.450 3.246 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(O)cc2C)CC1 ZINC001139715114 1377940295 /nfs/dbraw/zinc/94/02/95/1377940295.db2.gz UAESIKRQRFULGU-GOSISDBHSA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(O)cc2C)CC1 ZINC001139715114 1377940296 /nfs/dbraw/zinc/94/02/96/1377940296.db2.gz UAESIKRQRFULGU-GOSISDBHSA-N 2 2 332.488 3.084 20 0 EGADLP Clc1ncnc2[nH]cc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c21 ZINC001139936582 1377979767 /nfs/dbraw/zinc/97/97/67/1377979767.db2.gz GPKBYXODQCKIBU-HNNXBMFYSA-N 2 2 347.894 3.403 20 0 EGADLP Clc1ncnc2[nH]cc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)c21 ZINC001139936582 1377979768 /nfs/dbraw/zinc/97/97/68/1377979768.db2.gz GPKBYXODQCKIBU-HNNXBMFYSA-N 2 2 347.894 3.403 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc5ccccc5cn4)C[C@@H]3C2)nc1 ZINC001139997986 1377989862 /nfs/dbraw/zinc/98/98/62/1377989862.db2.gz QBKIQYNDBONRHT-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc5ccccc5cn4)C[C@@H]3C2)nc1 ZINC001139997986 1377989863 /nfs/dbraw/zinc/98/98/63/1377989863.db2.gz QBKIQYNDBONRHT-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc5ccccc5cn4)C[C@@H]3C2)nc1 ZINC001139997986 1377989864 /nfs/dbraw/zinc/98/98/64/1377989864.db2.gz QBKIQYNDBONRHT-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc5ccccc5cn4)C[C@@H]3C2)nc1 ZINC001139997986 1377989865 /nfs/dbraw/zinc/98/98/65/1377989865.db2.gz QBKIQYNDBONRHT-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001140026585 1377991944 /nfs/dbraw/zinc/99/19/44/1377991944.db2.gz MXRBOGQVOPPRQT-FQEVSTJZSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001140026585 1377991947 /nfs/dbraw/zinc/99/19/47/1377991947.db2.gz MXRBOGQVOPPRQT-FQEVSTJZSA-N 2 2 334.423 3.149 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC001140485425 1378070730 /nfs/dbraw/zinc/07/07/30/1378070730.db2.gz UYEVTMJNSGWJQE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC001140485425 1378070731 /nfs/dbraw/zinc/07/07/31/1378070731.db2.gz UYEVTMJNSGWJQE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC001140485425 1378070732 /nfs/dbraw/zinc/07/07/32/1378070732.db2.gz UYEVTMJNSGWJQE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Br)C[C@@H]2C1 ZINC001140485425 1378070733 /nfs/dbraw/zinc/07/07/33/1378070733.db2.gz UYEVTMJNSGWJQE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP Cc1c(F)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Br ZINC001140554934 1378084228 /nfs/dbraw/zinc/08/42/28/1378084228.db2.gz OLIDVDVCRBRTME-UHFFFAOYSA-N 2 2 341.268 3.424 20 0 EGADLP CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111428 1378117012 /nfs/dbraw/zinc/11/70/12/1378117012.db2.gz ZCMCPZIVGKNAGJ-JXFKEZNVSA-N 2 2 340.471 3.090 20 0 EGADLP CC[C@H](C)N1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111428 1378117015 /nfs/dbraw/zinc/11/70/15/1378117015.db2.gz ZCMCPZIVGKNAGJ-JXFKEZNVSA-N 2 2 340.471 3.090 20 0 EGADLP Cc1cc(F)c(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Br ZINC001140698829 1378117684 /nfs/dbraw/zinc/11/76/84/1378117684.db2.gz SVKSYJZKGNTFKZ-UHFFFAOYSA-N 2 2 341.268 3.424 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140783055 1378134866 /nfs/dbraw/zinc/13/48/66/1378134866.db2.gz HYPUDISCIKKMKC-ROUUACIJSA-N 2 2 333.435 3.392 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141025945 1378212927 /nfs/dbraw/zinc/21/29/27/1378212927.db2.gz WJTWJMNCJADHPZ-KRWDZBQOSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141025945 1378212932 /nfs/dbraw/zinc/21/29/32/1378212932.db2.gz WJTWJMNCJADHPZ-KRWDZBQOSA-N 2 2 335.407 3.297 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141210369 1378269841 /nfs/dbraw/zinc/26/98/41/1378269841.db2.gz MEKZBCMHCDIUBK-CALCHBBNSA-N 2 2 325.431 3.271 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141210369 1378269843 /nfs/dbraw/zinc/26/98/43/1378269843.db2.gz MEKZBCMHCDIUBK-CALCHBBNSA-N 2 2 325.431 3.271 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141210369 1378269845 /nfs/dbraw/zinc/26/98/45/1378269845.db2.gz MEKZBCMHCDIUBK-CALCHBBNSA-N 2 2 325.431 3.271 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141210369 1378269849 /nfs/dbraw/zinc/26/98/49/1378269849.db2.gz MEKZBCMHCDIUBK-CALCHBBNSA-N 2 2 325.431 3.271 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4ccnc5[nH]ccc54)C3)C2)c1 ZINC001142874266 1378500970 /nfs/dbraw/zinc/50/09/70/1378500970.db2.gz OGWNHNADKATBIW-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4ccnc5[nH]ccc54)C3)C2)c1 ZINC001142874266 1378500975 /nfs/dbraw/zinc/50/09/75/1378500975.db2.gz OGWNHNADKATBIW-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2ccnc4[nH]ccc42)C3)c1 ZINC001142874266 1378500980 /nfs/dbraw/zinc/50/09/80/1378500980.db2.gz OGWNHNADKATBIW-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2ccnc4[nH]ccc42)C3)c1 ZINC001142874266 1378500984 /nfs/dbraw/zinc/50/09/84/1378500984.db2.gz OGWNHNADKATBIW-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@H]3C2)c1 ZINC001143213862 1378562284 /nfs/dbraw/zinc/56/22/84/1378562284.db2.gz CILMRLLNWOBKSY-HOTGVXAUSA-N 2 2 338.480 3.188 20 0 EGADLP COCC[N@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144246644 1378704476 /nfs/dbraw/zinc/70/44/76/1378704476.db2.gz CXUHJCKJLVNIPF-UHFFFAOYSA-N 2 2 327.472 3.020 20 0 EGADLP COCC[N@@H+](Cc1ccc(-n2cccc2)cc1)C1CC[NH+](C)CC1 ZINC001144246644 1378704478 /nfs/dbraw/zinc/70/44/78/1378704478.db2.gz CXUHJCKJLVNIPF-UHFFFAOYSA-N 2 2 327.472 3.020 20 0 EGADLP CCc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1 ZINC001144326723 1378717361 /nfs/dbraw/zinc/71/73/61/1378717361.db2.gz PJOLXPXYVLPYRW-LJQANCHMSA-N 2 2 344.499 3.098 20 0 EGADLP CCc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)c1 ZINC001144326723 1378717362 /nfs/dbraw/zinc/71/73/62/1378717362.db2.gz PJOLXPXYVLPYRW-LJQANCHMSA-N 2 2 344.499 3.098 20 0 EGADLP CC(C)(C)CCC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146473911 1378846868 /nfs/dbraw/zinc/84/68/68/1378846868.db2.gz MTWNTDYFEUKRNF-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn2cc[nH+]c2)cc1 ZINC001146707521 1378903682 /nfs/dbraw/zinc/90/36/82/1378903682.db2.gz SDBYONRLFHNKJY-ZWKOTPCHSA-N 2 2 342.487 3.045 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994298 1380173490 /nfs/dbraw/zinc/17/34/90/1380173490.db2.gz FTTJCEITTIQXQU-QGZVFWFLSA-N 2 2 336.524 3.189 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994298 1380173492 /nfs/dbraw/zinc/17/34/92/1380173492.db2.gz FTTJCEITTIQXQU-QGZVFWFLSA-N 2 2 336.524 3.189 20 0 EGADLP CC[N@H+](C[C@H]1CCCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403189 1380270690 /nfs/dbraw/zinc/27/06/90/1380270690.db2.gz FPWCRVAPBLRQOD-SJLPKXTDSA-N 2 2 347.503 3.016 20 0 EGADLP CC[N@@H+](C[C@H]1CCCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403189 1380270692 /nfs/dbraw/zinc/27/06/92/1380270692.db2.gz FPWCRVAPBLRQOD-SJLPKXTDSA-N 2 2 347.503 3.016 20 0 EGADLP COc1ccc2ccc(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)[nH+]c2c1 ZINC001155383007 1380444109 /nfs/dbraw/zinc/44/41/09/1380444109.db2.gz KIIINEVRGCCWDF-KRWDZBQOSA-N 2 2 341.455 3.204 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520768 1380463665 /nfs/dbraw/zinc/46/36/65/1380463665.db2.gz CBTBVAVBPHTEHN-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520768 1380463666 /nfs/dbraw/zinc/46/36/66/1380463666.db2.gz CBTBVAVBPHTEHN-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522255 1380464012 /nfs/dbraw/zinc/46/40/12/1380464012.db2.gz SCIBBMZOKIACTN-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522255 1380464014 /nfs/dbraw/zinc/46/40/14/1380464014.db2.gz SCIBBMZOKIACTN-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751883 1380489003 /nfs/dbraw/zinc/48/90/03/1380489003.db2.gz UINDJRQUWIIQPU-PIIXRYACSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751883 1380489004 /nfs/dbraw/zinc/48/90/04/1380489004.db2.gz UINDJRQUWIIQPU-PIIXRYACSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751883 1380489005 /nfs/dbraw/zinc/48/90/05/1380489005.db2.gz UINDJRQUWIIQPU-PIIXRYACSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751883 1380489006 /nfs/dbraw/zinc/48/90/06/1380489006.db2.gz UINDJRQUWIIQPU-PIIXRYACSA-N 2 2 334.508 3.161 20 0 EGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156177166 1380536666 /nfs/dbraw/zinc/53/66/66/1380536666.db2.gz RBDSJWYZLWJBLA-QGZVFWFLSA-N 2 2 342.487 3.359 20 0 EGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156177166 1380536667 /nfs/dbraw/zinc/53/66/67/1380536667.db2.gz RBDSJWYZLWJBLA-QGZVFWFLSA-N 2 2 342.487 3.359 20 0 EGADLP C[NH+](C)C1(CNc2ccc3ccc(Cl)cc3n2)CC[NH+](C)CC1 ZINC001156185883 1380538286 /nfs/dbraw/zinc/53/82/86/1380538286.db2.gz VOSVMAJJLUKSTC-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001156928274 1380731910 /nfs/dbraw/zinc/73/19/10/1380731910.db2.gz KFPZHFFOWPLAIS-FDMDGMSGSA-N 2 2 331.460 3.253 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NCCC[N@H+]1CCCC[C@@H]1C ZINC001156928274 1380731912 /nfs/dbraw/zinc/73/19/12/1380731912.db2.gz KFPZHFFOWPLAIS-FDMDGMSGSA-N 2 2 331.460 3.253 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248392 1380823628 /nfs/dbraw/zinc/82/36/28/1380823628.db2.gz OEJWBHPVLFBMTD-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248392 1380823633 /nfs/dbraw/zinc/82/36/33/1380823633.db2.gz OEJWBHPVLFBMTD-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CCN(CCn1cc[nH+]c1)c1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC001157466154 1380916031 /nfs/dbraw/zinc/91/60/31/1380916031.db2.gz IAPIIUHIEMDDRJ-GOSISDBHSA-N 2 2 327.476 3.352 20 0 EGADLP CCN(CCn1cc[nH+]c1)c1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC001157466154 1380916046 /nfs/dbraw/zinc/91/60/46/1380916046.db2.gz IAPIIUHIEMDDRJ-GOSISDBHSA-N 2 2 327.476 3.352 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001158061613 1381116479 /nfs/dbraw/zinc/11/64/79/1381116479.db2.gz AKMCDXOIISJSHA-OAHLLOKOSA-N 2 2 330.476 3.034 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CC3CCCCCC3)ccn12 ZINC001158061960 1381116680 /nfs/dbraw/zinc/11/66/80/1381116680.db2.gz KVGHILBVBMOGQU-UHFFFAOYSA-N 2 2 342.487 3.323 20 0 EGADLP C[N@H+](C/C=C/Cl)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128568 1381136158 /nfs/dbraw/zinc/13/61/58/1381136158.db2.gz DVSFJLPLTVEVFE-NFBGWVBBSA-N 2 2 346.862 3.242 20 0 EGADLP C[N@@H+](C/C=C/Cl)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128568 1381136162 /nfs/dbraw/zinc/13/61/62/1381136162.db2.gz DVSFJLPLTVEVFE-NFBGWVBBSA-N 2 2 346.862 3.242 20 0 EGADLP Clc1ccc2[nH+]ccc(Nc3cccc(N4CC[NH2+]CC4)c3)c2c1 ZINC001159154260 1381677287 /nfs/dbraw/zinc/67/72/87/1381677287.db2.gz PBQGDDXBFFVJFZ-UHFFFAOYSA-N 2 2 338.842 3.463 20 0 EGADLP Cc1[nH+]cc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)cc1N ZINC001160155687 1382018735 /nfs/dbraw/zinc/01/87/35/1382018735.db2.gz DDVOSEWHORQYHJ-UHFFFAOYSA-N 2 2 330.407 3.233 20 0 EGADLP Fc1cccc(Nc2ccc(N3CCCC3)[nH+]c2)c1O[C@@H]1CC[NH2+]C1 ZINC001160181746 1382026928 /nfs/dbraw/zinc/02/69/28/1382026928.db2.gz AODKIGBKRWQZFP-OAHLLOKOSA-N 2 2 342.418 3.305 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001160331332 1382074985 /nfs/dbraw/zinc/07/49/85/1382074985.db2.gz YYFRMDNBRSQCBX-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001160331332 1382074991 /nfs/dbraw/zinc/07/49/91/1382074991.db2.gz YYFRMDNBRSQCBX-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001160331332 1382074996 /nfs/dbraw/zinc/07/49/96/1382074996.db2.gz YYFRMDNBRSQCBX-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001160331332 1382075000 /nfs/dbraw/zinc/07/50/00/1382075000.db2.gz YYFRMDNBRSQCBX-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC001160503220 1382125386 /nfs/dbraw/zinc/12/53/86/1382125386.db2.gz DTOVGWSBGQYCAA-YLJYHZDGSA-N 2 2 348.450 3.104 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001160534406 1382134464 /nfs/dbraw/zinc/13/44/64/1382134464.db2.gz KDMDFDGNIVZXCF-SFHVURJKSA-N 2 2 346.519 3.147 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@H+](CCCF)CC2)c(C)[nH+]1 ZINC001160761024 1382189107 /nfs/dbraw/zinc/18/91/07/1382189107.db2.gz KVXGAUDTQIMDEF-UHFFFAOYSA-N 2 2 333.451 3.118 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2=CC[N@@H+](CCCF)CC2)c(C)[nH+]1 ZINC001160761024 1382189112 /nfs/dbraw/zinc/18/91/12/1382189112.db2.gz KVXGAUDTQIMDEF-UHFFFAOYSA-N 2 2 333.451 3.118 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821590 1382209362 /nfs/dbraw/zinc/20/93/62/1382209362.db2.gz LRLGXWDTWDNMSB-GOSISDBHSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821590 1382209363 /nfs/dbraw/zinc/20/93/63/1382209363.db2.gz LRLGXWDTWDNMSB-GOSISDBHSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(F)cc1 ZINC001160990312 1382263677 /nfs/dbraw/zinc/26/36/77/1382263677.db2.gz IFFKUCJODHMYSW-ZDUSSCGKSA-N 2 2 340.402 3.173 20 0 EGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CCCCCCC[NH3+] ZINC001161031255 1382278305 /nfs/dbraw/zinc/27/83/05/1382278305.db2.gz YBGFYQHSLDZYKM-UHFFFAOYSA-N 2 2 328.460 3.130 20 0 EGADLP COc1c[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)nc1NC(C)C ZINC001161229454 1382349468 /nfs/dbraw/zinc/34/94/68/1382349468.db2.gz WOEBIBAROLVMFI-UHFFFAOYSA-N 2 2 347.507 3.230 20 0 EGADLP Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001161240422 1382351746 /nfs/dbraw/zinc/35/17/46/1382351746.db2.gz NBBMGNFDYSOEPA-UHFFFAOYSA-N 2 2 346.519 3.385 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356632 1382382130 /nfs/dbraw/zinc/38/21/30/1382382130.db2.gz XQSRFBOATJPQJX-KRWDZBQOSA-N 2 2 346.519 3.409 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356632 1382382132 /nfs/dbraw/zinc/38/21/32/1382382132.db2.gz XQSRFBOATJPQJX-KRWDZBQOSA-N 2 2 346.519 3.409 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356420 1382382211 /nfs/dbraw/zinc/38/22/11/1382382211.db2.gz OSXDIFCAYXJHMI-PYTPGESOSA-N 2 2 344.503 3.329 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356420 1382382214 /nfs/dbraw/zinc/38/22/14/1382382214.db2.gz OSXDIFCAYXJHMI-PYTPGESOSA-N 2 2 344.503 3.329 20 0 EGADLP COc1c[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)nc1NC(C)C ZINC001161677753 1382478225 /nfs/dbraw/zinc/47/82/25/1382478225.db2.gz QMZOOSYFVQVOBS-SHTZXODSSA-N 2 2 349.523 3.428 20 0 EGADLP C[C@H]([NH3+])c1nc2ccccc2n1-c1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001162779319 1382869521 /nfs/dbraw/zinc/86/95/21/1382869521.db2.gz XGCQPRQESYNRMO-NSHDSACASA-N 2 2 330.382 3.385 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2C)c(C)[nH+]1 ZINC001162909513 1382912366 /nfs/dbraw/zinc/91/23/66/1382912366.db2.gz ACLNACMZUYDSCG-UHFFFAOYSA-N 2 2 325.456 3.225 20 0 EGADLP CC[NH+](CC)c1ccc(C)c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001163291161 1383014060 /nfs/dbraw/zinc/01/40/60/1383014060.db2.gz MPJPLRINDQCHEN-PXNSSMCTSA-N 2 2 331.504 3.412 20 0 EGADLP CC[NH+](CC)c1ccc(C)c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001163291160 1383014065 /nfs/dbraw/zinc/01/40/65/1383014065.db2.gz MPJPLRINDQCHEN-FXAWDEMLSA-N 2 2 331.504 3.412 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163472535 1383059492 /nfs/dbraw/zinc/05/94/92/1383059492.db2.gz HWLNEJUQMAYCRH-KRWDZBQOSA-N 2 2 342.487 3.264 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)cc2[nH+]1 ZINC001164493112 1383193032 /nfs/dbraw/zinc/19/30/32/1383193032.db2.gz QQDSITGMZUDEMU-BHIYHBOVSA-N 2 2 347.466 3.239 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cc2[nH+]1 ZINC001164493112 1383193034 /nfs/dbraw/zinc/19/30/34/1383193034.db2.gz QQDSITGMZUDEMU-BHIYHBOVSA-N 2 2 347.466 3.239 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC(C2CC[NH+](C)CC2)CC1 ZINC001165064914 1383220357 /nfs/dbraw/zinc/22/03/57/1383220357.db2.gz CQVHURFHWDCJDP-UHFFFAOYSA-N 2 2 345.487 3.043 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(C)c3cccc(Cl)c3n1)CC[NH2+]CC2 ZINC001165355352 1383281210 /nfs/dbraw/zinc/28/12/10/1383281210.db2.gz VUHZHMSPTAXRGD-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593679 1383313966 /nfs/dbraw/zinc/31/39/66/1383313966.db2.gz NBASIZOYVSRMAS-GVDBMIGSSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593679 1383313971 /nfs/dbraw/zinc/31/39/71/1383313971.db2.gz NBASIZOYVSRMAS-GVDBMIGSSA-N 2 2 346.519 3.072 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC2(C[NH2+]CCC(C)(C)C)CC2)c[nH+]1 ZINC001165717973 1383331191 /nfs/dbraw/zinc/33/11/91/1383331191.db2.gz BNVJQSZKLFZQON-UHFFFAOYSA-N 2 2 348.535 3.239 20 0 EGADLP CC/C=C\CC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718755 1383331460 /nfs/dbraw/zinc/33/14/60/1383331460.db2.gz QPYVEDBPKRURRD-SREVYHEPSA-N 2 2 346.519 3.159 20 0 EGADLP Cc1c[nH+]c(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cc1C ZINC001165740270 1383337367 /nfs/dbraw/zinc/33/73/67/1383337367.db2.gz DBGFWTHMWQAPKM-KRWDZBQOSA-N 2 2 349.438 3.005 20 0 EGADLP COc1cc[nH+]c(N(c2cccc(C)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001165770407 1383343103 /nfs/dbraw/zinc/34/31/03/1383343103.db2.gz GJYKLYYXHMRMJQ-PXNSSMCTSA-N 2 2 339.439 3.058 20 0 EGADLP c1ccc([C@H](CNc2cc[nH+]c(N3CCCC3)n2)[NH+]2CCCC2)cc1 ZINC001166888149 1383493967 /nfs/dbraw/zinc/49/39/67/1383493967.db2.gz DGWZQVIFKAFBBV-SFHVURJKSA-N 2 2 337.471 3.326 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC001168018539 1383797826 /nfs/dbraw/zinc/79/78/26/1383797826.db2.gz ZRADPMUOGUTNFQ-IZZQQSIFSA-N 2 2 326.488 3.260 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC001168018539 1383797830 /nfs/dbraw/zinc/79/78/30/1383797830.db2.gz ZRADPMUOGUTNFQ-IZZQQSIFSA-N 2 2 326.488 3.260 20 0 EGADLP C[C@H]1CC(N2CCc3c([nH+]cn3C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168062724 1383808333 /nfs/dbraw/zinc/80/83/33/1383808333.db2.gz LVRDJBUPNDVPCK-IRXDYDNUSA-N 2 2 338.499 3.220 20 0 EGADLP C[NH+](C)C1CCC([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001168290619 1383864474 /nfs/dbraw/zinc/86/44/74/1383864474.db2.gz SAAJJMPPCWOSCZ-UHFFFAOYSA-N 3 2 343.559 3.404 20 0 EGADLP COC1CC[NH+](C2CC[NH+]([C@@H](C)Cc3cccc(F)c3)CC2)CC1 ZINC001168502379 1383926318 /nfs/dbraw/zinc/92/63/18/1383926318.db2.gz ZTDAYPBUOQYIPX-INIZCTEOSA-N 2 2 334.479 3.332 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH+]3CCC(n4cc[nH+]c4)CC3)CCO2)cc1 ZINC001168664696 1383964124 /nfs/dbraw/zinc/96/41/24/1383964124.db2.gz JDMCBICREILNOX-QUCCMNQESA-N 2 2 341.455 3.449 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831279 1384024603 /nfs/dbraw/zinc/02/46/03/1384024603.db2.gz UVQKPFSVDGDMKL-JYJNAYRXSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831279 1384024606 /nfs/dbraw/zinc/02/46/06/1384024606.db2.gz UVQKPFSVDGDMKL-JYJNAYRXSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001169086220 1384104872 /nfs/dbraw/zinc/10/48/72/1384104872.db2.gz RRQOGHMLCJCDQE-NHCUHLMSSA-N 2 2 330.516 3.440 20 0 EGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001169086220 1384104873 /nfs/dbraw/zinc/10/48/73/1384104873.db2.gz RRQOGHMLCJCDQE-NHCUHLMSSA-N 2 2 330.516 3.440 20 0 EGADLP COc1cccc(C(=O)C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169126999 1384110938 /nfs/dbraw/zinc/11/09/38/1384110938.db2.gz ZHKOZTZQFSJICR-BWTSREIZSA-N 2 2 342.483 3.215 20 0 EGADLP COc1cccc(C(=O)C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169126999 1384110940 /nfs/dbraw/zinc/11/09/40/1384110940.db2.gz ZHKOZTZQFSJICR-BWTSREIZSA-N 2 2 342.483 3.215 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1-n1nnc2ccccc21)Cn1cc[nH+]c1 ZINC001308246869 1384112344 /nfs/dbraw/zinc/11/23/44/1384112344.db2.gz LXXGPLWOHKLZPW-INIZCTEOSA-N 2 2 346.438 3.043 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3nc4ccccc4s3)CC1)C2 ZINC001169140398 1384112581 /nfs/dbraw/zinc/11/25/81/1384112581.db2.gz JSEAKNPFFRCJTK-ZSHCYNCHSA-N 2 2 342.512 3.044 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(c3nc4ccccc4s3)CC1)C2 ZINC001169140398 1384112583 /nfs/dbraw/zinc/11/25/83/1384112583.db2.gz JSEAKNPFFRCJTK-ZSHCYNCHSA-N 2 2 342.512 3.044 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001308338977 1384120061 /nfs/dbraw/zinc/12/00/61/1384120061.db2.gz SGKGXDBNALWLLG-HNNXBMFYSA-N 2 2 338.467 3.301 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001308338977 1384120062 /nfs/dbraw/zinc/12/00/62/1384120062.db2.gz SGKGXDBNALWLLG-HNNXBMFYSA-N 2 2 338.467 3.301 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)cc(OC)c2OC)CC1 ZINC001169238719 1384126232 /nfs/dbraw/zinc/12/62/32/1384126232.db2.gz LPONIQJURSHBBW-LBPRGKRZSA-N 2 2 326.868 3.492 20 0 EGADLP Cc1csc2nc(C)c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n12 ZINC001308563743 1384133927 /nfs/dbraw/zinc/13/39/27/1384133927.db2.gz ASXWPGYQXIHONS-MRXNPFEDSA-N 2 2 332.517 3.320 20 0 EGADLP Cc1csc2nc(C)c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n12 ZINC001308563743 1384133930 /nfs/dbraw/zinc/13/39/30/1384133930.db2.gz ASXWPGYQXIHONS-MRXNPFEDSA-N 2 2 332.517 3.320 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(O[C@@H]2CCOC2)cc[nH+]1 ZINC001169689479 1384173999 /nfs/dbraw/zinc/17/39/99/1384173999.db2.gz JQVSXHDLDCSOLK-SJLPKXTDSA-N 2 2 339.439 3.489 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC001170170643 1384254364 /nfs/dbraw/zinc/25/43/64/1384254364.db2.gz MTOQMXHOZFFWHW-RTBURBONSA-N 2 2 332.488 3.207 20 0 EGADLP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001311247018 1384270014 /nfs/dbraw/zinc/27/00/14/1384270014.db2.gz GVKWAGHBDALVAK-INIZCTEOSA-N 2 2 345.491 3.020 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001170525857 1384335419 /nfs/dbraw/zinc/33/54/19/1384335419.db2.gz VJFJHMUSCIEJNH-BEFAXECRSA-N 2 2 348.462 3.030 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H]4[C@@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752071 1384378751 /nfs/dbraw/zinc/37/87/51/1384378751.db2.gz UDBMTMTVYNPPOS-VIQHNZTISA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@H]4[C@@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752071 1384378754 /nfs/dbraw/zinc/37/87/54/1384378754.db2.gz UDBMTMTVYNPPOS-VIQHNZTISA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@H]4[C@@H](CC[N@@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752071 1384378755 /nfs/dbraw/zinc/37/87/55/1384378755.db2.gz UDBMTMTVYNPPOS-VIQHNZTISA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@H]4[C@@H](CC[N@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752071 1384378758 /nfs/dbraw/zinc/37/87/58/1384378758.db2.gz UDBMTMTVYNPPOS-VIQHNZTISA-N 2 2 331.529 3.474 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150487 1384455385 /nfs/dbraw/zinc/45/53/85/1384455385.db2.gz AYMNMBPZAZXTJT-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150487 1384455389 /nfs/dbraw/zinc/45/53/89/1384455389.db2.gz AYMNMBPZAZXTJT-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP Cc1cc(N2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)nc(C)[nH+]1 ZINC001171571500 1384567066 /nfs/dbraw/zinc/56/70/66/1384567066.db2.gz ZPKZUKKRYZHLDB-IBGZPJMESA-N 2 2 336.483 3.081 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CC1(C)C ZINC001171625307 1384583966 /nfs/dbraw/zinc/58/39/66/1384583966.db2.gz GRHRTEBRAVVOTL-INIZCTEOSA-N 2 2 349.906 3.444 20 0 EGADLP [NH3+]C[C@@H]([NH2+][C@@H]1Cc2cccc(F)c2C1)c1ccc(Br)cc1 ZINC001171780339 1384633450 /nfs/dbraw/zinc/63/34/50/1384633450.db2.gz HSELXHXOYXZKSC-RHSMWYFYSA-N 2 2 349.247 3.345 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCCC[NH2+]CCOC(C)C)c(C)[nH+]1 ZINC001171861124 1384664136 /nfs/dbraw/zinc/66/41/36/1384664136.db2.gz YNZHYFGXGGYLDE-INIZCTEOSA-N 2 2 349.519 3.310 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896255 1384673217 /nfs/dbraw/zinc/67/32/17/1384673217.db2.gz KUDVONXFVRURGF-QGZVFWFLSA-N 2 2 336.524 3.054 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987567 1384705732 /nfs/dbraw/zinc/70/57/32/1384705732.db2.gz XNVDJNWMOZBJKM-RZUBCFFCSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987567 1384705739 /nfs/dbraw/zinc/70/57/39/1384705739.db2.gz XNVDJNWMOZBJKM-RZUBCFFCSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987567 1384705741 /nfs/dbraw/zinc/70/57/41/1384705741.db2.gz XNVDJNWMOZBJKM-RZUBCFFCSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987567 1384705745 /nfs/dbraw/zinc/70/57/45/1384705745.db2.gz XNVDJNWMOZBJKM-RZUBCFFCSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1CN([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987567 1384705751 /nfs/dbraw/zinc/70/57/51/1384705751.db2.gz XNVDJNWMOZBJKM-RZUBCFFCSA-N 2 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1CN([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987567 1384705753 /nfs/dbraw/zinc/70/57/53/1384705753.db2.gz XNVDJNWMOZBJKM-RZUBCFFCSA-N 2 2 341.543 3.313 20 0 EGADLP C[N@@H+]1CC[C@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706523 /nfs/dbraw/zinc/70/65/23/1384706523.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 2 327.516 3.066 20 0 EGADLP C[N@H+]1CC[C@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706529 /nfs/dbraw/zinc/70/65/29/1384706529.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 2 327.516 3.066 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706531 /nfs/dbraw/zinc/70/65/31/1384706531.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 2 327.516 3.066 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171988045 1384706536 /nfs/dbraw/zinc/70/65/36/1384706536.db2.gz ODUWRYREXXRGHS-SLFFLAALSA-N 2 2 327.516 3.066 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC001172063875 1384714414 /nfs/dbraw/zinc/71/44/14/1384714414.db2.gz DOEXMQZHOOKAPM-ZKTXZKFHSA-N 2 2 338.499 3.404 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC001172063875 1384714419 /nfs/dbraw/zinc/71/44/19/1384714419.db2.gz DOEXMQZHOOKAPM-ZKTXZKFHSA-N 2 2 338.499 3.404 20 0 EGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC001172063874 1384715447 /nfs/dbraw/zinc/71/54/47/1384715447.db2.gz DOEXMQZHOOKAPM-NUZGMZIFSA-N 2 2 338.499 3.404 20 0 EGADLP Cc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC001172063874 1384715449 /nfs/dbraw/zinc/71/54/49/1384715449.db2.gz DOEXMQZHOOKAPM-NUZGMZIFSA-N 2 2 338.499 3.404 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]2C1 ZINC001172082804 1384722121 /nfs/dbraw/zinc/72/21/21/1384722121.db2.gz MBWBLLJSUQBCJN-ANWOVWILSA-N 3 2 339.527 3.066 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]2C1 ZINC001172082804 1384722123 /nfs/dbraw/zinc/72/21/23/1384722123.db2.gz MBWBLLJSUQBCJN-ANWOVWILSA-N 3 2 339.527 3.066 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113382 1384731311 /nfs/dbraw/zinc/73/13/11/1384731311.db2.gz IQOXYKHHCYELKY-RZXSNQJFSA-N 2 2 345.506 3.347 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113382 1384731314 /nfs/dbraw/zinc/73/13/14/1384731314.db2.gz IQOXYKHHCYELKY-RZXSNQJFSA-N 2 2 345.506 3.347 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113382 1384731317 /nfs/dbraw/zinc/73/13/17/1384731317.db2.gz IQOXYKHHCYELKY-RZXSNQJFSA-N 2 2 345.506 3.347 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113382 1384731318 /nfs/dbraw/zinc/73/13/18/1384731318.db2.gz IQOXYKHHCYELKY-RZXSNQJFSA-N 2 2 345.506 3.347 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001172118846 1384732340 /nfs/dbraw/zinc/73/23/40/1384732340.db2.gz QSJALQRNKCBVEK-DZFIZOCASA-N 2 2 333.907 3.477 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cccc(Cl)c3)CC1)C2 ZINC001172118846 1384732342 /nfs/dbraw/zinc/73/23/42/1384732342.db2.gz QSJALQRNKCBVEK-DZFIZOCASA-N 2 2 333.907 3.477 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001172798669 1384854399 /nfs/dbraw/zinc/85/43/99/1384854399.db2.gz ZJCPKBQQCBSAHX-RBUKOAKNSA-N 2 2 348.531 3.449 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001172798669 1384854403 /nfs/dbraw/zinc/85/44/03/1384854403.db2.gz ZJCPKBQQCBSAHX-RBUKOAKNSA-N 2 2 348.531 3.449 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001172798667 1384854601 /nfs/dbraw/zinc/85/46/01/1384854601.db2.gz ZJCPKBQQCBSAHX-OALUTQOASA-N 2 2 348.531 3.449 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001172798667 1384854604 /nfs/dbraw/zinc/85/46/04/1384854604.db2.gz ZJCPKBQQCBSAHX-OALUTQOASA-N 2 2 348.531 3.449 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)CC2 ZINC001172832162 1384860725 /nfs/dbraw/zinc/86/07/25/1384860725.db2.gz LUEOXCDXZCARLX-SFHVURJKSA-N 2 2 348.450 3.143 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)CC2 ZINC001172832162 1384860727 /nfs/dbraw/zinc/86/07/27/1384860727.db2.gz LUEOXCDXZCARLX-SFHVURJKSA-N 2 2 348.450 3.143 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC001172919908 1384879270 /nfs/dbraw/zinc/87/92/70/1384879270.db2.gz YPCHVDBOXAWJDY-UYAOXDASSA-N 2 2 332.488 3.207 20 0 EGADLP CC[N@H+](C)C1CC[NH+]([C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075551 1384908706 /nfs/dbraw/zinc/90/87/06/1384908706.db2.gz LBOGSBXVVUGQMA-WBVHZDCISA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075551 1384908711 /nfs/dbraw/zinc/90/87/11/1384908711.db2.gz LBOGSBXVVUGQMA-WBVHZDCISA-N 2 2 339.524 3.191 20 0 EGADLP COc1cccc2c1C[C@H]([NH2+][C@H](CC[NH+](C)C)c1ccccc1)CO2 ZINC001173148579 1384924788 /nfs/dbraw/zinc/92/47/88/1384924788.db2.gz JVEUGASSYVFYOP-PKOBYXMFSA-N 2 2 340.467 3.281 20 0 EGADLP COCC[N@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173203813 1384935765 /nfs/dbraw/zinc/93/57/65/1384935765.db2.gz GKGQZGYYKOEEEB-UHFFFAOYSA-N 2 2 346.515 3.419 20 0 EGADLP COCC[N@@H+](C1CCC(Oc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001173203813 1384935768 /nfs/dbraw/zinc/93/57/68/1384935768.db2.gz GKGQZGYYKOEEEB-UHFFFAOYSA-N 2 2 346.515 3.419 20 0 EGADLP CC[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001173260864 1384946244 /nfs/dbraw/zinc/94/62/44/1384946244.db2.gz OUPSQEDTUSUOJS-HKUYNNGSSA-N 2 2 332.488 3.066 20 0 EGADLP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281259 1384950125 /nfs/dbraw/zinc/95/01/25/1384950125.db2.gz RQBWALZDIFWHFN-PKOBYXMFSA-N 2 2 330.520 3.429 20 0 EGADLP CC[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281259 1384950129 /nfs/dbraw/zinc/95/01/29/1384950129.db2.gz RQBWALZDIFWHFN-PKOBYXMFSA-N 2 2 330.520 3.429 20 0 EGADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173538176 1384980966 /nfs/dbraw/zinc/98/09/66/1384980966.db2.gz FAIASUQEGGUXRG-XHDPSFHLSA-N 2 2 347.286 3.185 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001317250313 1385021655 /nfs/dbraw/zinc/02/16/55/1385021655.db2.gz BFXOZKWXXKJFDF-WBVHZDCISA-N 2 2 336.439 3.194 20 0 EGADLP C[NH+]1CCN(Cc2cccc(Nc3cc[nH+]c4ccccc34)c2)CC1 ZINC001174039978 1385049125 /nfs/dbraw/zinc/04/91/25/1385049125.db2.gz LNFSTGDDVOLKIC-UHFFFAOYSA-N 2 2 332.451 3.148 20 0 EGADLP CN1CC[NH+](Cc2cccc(Nc3cc[nH+]c4ccccc34)c2)CC1 ZINC001174039978 1385049129 /nfs/dbraw/zinc/04/91/29/1385049129.db2.gz LNFSTGDDVOLKIC-UHFFFAOYSA-N 2 2 332.451 3.148 20 0 EGADLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CCCCC1 ZINC001317398587 1385114282 /nfs/dbraw/zinc/11/42/82/1385114282.db2.gz FITLDBZZCXPPHQ-INIZCTEOSA-N 2 2 342.487 3.403 20 0 EGADLP COC1CCC(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CC1 ZINC001335931880 1388969910 /nfs/dbraw/zinc/96/99/10/1388969910.db2.gz FPTXAWVFPZEPJA-UHFFFAOYSA-N 2 2 328.416 3.110 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461603 1385299218 /nfs/dbraw/zinc/29/92/18/1385299218.db2.gz NXOINRMRDVVDIW-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)CCCC[NH2+]CCCCCF)n1cc[nH+]c1 ZINC001175504071 1385314020 /nfs/dbraw/zinc/31/40/20/1385314020.db2.gz XUOKKQFQODYNFR-DLBZAZTESA-N 2 2 340.487 3.239 20 0 EGADLP CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993567 1385455061 /nfs/dbraw/zinc/45/50/61/1385455061.db2.gz RFLNDVNNFAGMLA-MRXNPFEDSA-N 2 2 328.460 3.161 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176167100 1385500865 /nfs/dbraw/zinc/50/08/65/1385500865.db2.gz XLCHXUDDICCNEY-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP Clc1cc(Nc2cnn(CC[NH+]3CCCC3)c2)cn2cc[nH+]c12 ZINC001176559103 1385624956 /nfs/dbraw/zinc/62/49/56/1385624956.db2.gz NCHCMGHFXPMJSD-UHFFFAOYSA-N 2 2 330.823 3.024 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810545 1385710489 /nfs/dbraw/zinc/71/04/89/1385710489.db2.gz LPZJERNMWCFISF-PYTPGESOSA-N 2 2 334.508 3.284 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC001318497278 1385726006 /nfs/dbraw/zinc/72/60/06/1385726006.db2.gz IPWRJJPOQYUYLT-QGZVFWFLSA-N 2 2 336.420 3.231 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001318592102 1385775769 /nfs/dbraw/zinc/77/57/69/1385775769.db2.gz SCLSQXKSJDNOHB-YJBOKZPZSA-N 2 2 342.487 3.321 20 0 EGADLP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448024 1385959949 /nfs/dbraw/zinc/95/99/49/1385959949.db2.gz CGALGCRHKKOPTP-UHFFFAOYSA-N 2 2 334.508 3.141 20 0 EGADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001177506981 1385981904 /nfs/dbraw/zinc/98/19/04/1385981904.db2.gz XJAYWTGFQFIMCQ-QUCCMNQESA-N 2 2 346.515 3.314 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccccc3Cl)[nH+]c2)C1 ZINC001178231728 1386166817 /nfs/dbraw/zinc/16/68/17/1386166817.db2.gz IJOKZKJGRPFCBM-INIZCTEOSA-N 2 2 330.863 3.487 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178865018 1386333408 /nfs/dbraw/zinc/33/34/08/1386333408.db2.gz NDCUXMGDWMLIFY-OAJJDEHYSA-N 2 2 346.519 3.068 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001178957128 1386360515 /nfs/dbraw/zinc/36/05/15/1386360515.db2.gz NPDDVMBJEKXPKH-OKZBNKHCSA-N 2 2 348.535 3.486 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995232 1386370592 /nfs/dbraw/zinc/37/05/92/1386370592.db2.gz AFWZKCGJNNQJGJ-BBRMVZONSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995755 1386370852 /nfs/dbraw/zinc/37/08/52/1386370852.db2.gz PTMSEPISASVIBY-VYDXJSESSA-N 2 2 342.487 3.438 20 0 EGADLP O=C(NCCCCCC[NH2+]CCCCCF)c1cccc2[nH+]ccn21 ZINC001179009742 1386375130 /nfs/dbraw/zinc/37/51/30/1386375130.db2.gz PCFOQCJKVBVOKG-UHFFFAOYSA-N 2 2 348.466 3.354 20 0 EGADLP CC1CCC(C[NH2+]CCCCCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001179176358 1386418949 /nfs/dbraw/zinc/41/89/49/1386418949.db2.gz TWHPZAWLTYNOME-UHFFFAOYSA-N 2 2 348.535 3.366 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320050408 1386476584 /nfs/dbraw/zinc/47/65/84/1386476584.db2.gz FHASZPLOYNJCQG-KRWDZBQOSA-N 2 2 326.444 3.260 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320050408 1386476587 /nfs/dbraw/zinc/47/65/87/1386476587.db2.gz FHASZPLOYNJCQG-KRWDZBQOSA-N 2 2 326.444 3.260 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179558164 1386513513 /nfs/dbraw/zinc/51/35/13/1386513513.db2.gz MIWCZTRSZMQKCQ-INIZCTEOSA-N 2 2 332.492 3.062 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179557586 1386513732 /nfs/dbraw/zinc/51/37/32/1386513732.db2.gz GEIWWYPCXSFXOI-KRWDZBQOSA-N 2 2 346.519 3.286 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC001320674805 1386688245 /nfs/dbraw/zinc/68/82/45/1386688245.db2.gz GIDRWZRVCIWYMD-INIZCTEOSA-N 2 2 348.406 3.340 20 0 EGADLP CC(=O)Nc1ccc(C)c(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001320819434 1386727858 /nfs/dbraw/zinc/72/78/58/1386727858.db2.gz NGIJRDPRPQSNKW-UHFFFAOYSA-N 2 2 349.394 3.095 20 0 EGADLP CC[C@@H]1C[C@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCO1 ZINC001320840694 1386734817 /nfs/dbraw/zinc/73/48/17/1386734817.db2.gz UNDOHKTWYMCWRI-HUUCEWRRSA-N 2 2 328.416 3.110 20 0 EGADLP C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392877 1386783099 /nfs/dbraw/zinc/78/30/99/1386783099.db2.gz JEGSHWFOUZWZII-ICSRJNTNSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392877 1386783105 /nfs/dbraw/zinc/78/31/05/1386783105.db2.gz JEGSHWFOUZWZII-ICSRJNTNSA-N 2 2 346.515 3.408 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181679784 1387037823 /nfs/dbraw/zinc/03/78/23/1387037823.db2.gz KEKJJINZBLXZNJ-AJWBFMOXSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181679784 1387037825 /nfs/dbraw/zinc/03/78/25/1387037825.db2.gz KEKJJINZBLXZNJ-AJWBFMOXSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820820 1387061118 /nfs/dbraw/zinc/06/11/18/1387061118.db2.gz UVJHEHJLDLNVDF-QWFCFKBJSA-N 2 2 348.535 3.201 20 0 EGADLP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169589 1387086380 /nfs/dbraw/zinc/08/63/80/1387086380.db2.gz RKUGILBITUPKGE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169589 1387086385 /nfs/dbraw/zinc/08/63/85/1387086385.db2.gz RKUGILBITUPKGE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169589 1387086389 /nfs/dbraw/zinc/08/63/89/1387086389.db2.gz RKUGILBITUPKGE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169589 1387086390 /nfs/dbraw/zinc/08/63/90/1387086390.db2.gz RKUGILBITUPKGE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001182580179 1387190147 /nfs/dbraw/zinc/19/01/47/1387190147.db2.gz PIUKAHRLHBYMQM-DUMMIQTOSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCCC4CCC4)C3)ccn12 ZINC001182579651 1387190307 /nfs/dbraw/zinc/19/03/07/1387190307.db2.gz JUEZOPJXGUGZFD-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1cc2ccccc2n1CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001322844838 1387245427 /nfs/dbraw/zinc/24/54/27/1387245427.db2.gz DEFJNWUHUMXIJR-UHFFFAOYSA-N 2 2 345.406 3.478 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001336783894 1389169026 /nfs/dbraw/zinc/16/90/26/1389169026.db2.gz NZFRQBRCHKPHDT-MRXNPFEDSA-N 2 2 347.478 3.459 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001336783894 1389169029 /nfs/dbraw/zinc/16/90/29/1389169029.db2.gz NZFRQBRCHKPHDT-MRXNPFEDSA-N 2 2 347.478 3.459 20 0 EGADLP CN(C)c1ncccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001329833491 1389233767 /nfs/dbraw/zinc/23/37/67/1389233767.db2.gz ICTBNWPEMLEPEN-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001698729682 1406380114 /nfs/dbraw/zinc/38/01/14/1406380114.db2.gz HYWRCSXTXPMUNL-RTBURBONSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001698729682 1406380119 /nfs/dbraw/zinc/38/01/19/1406380119.db2.gz HYWRCSXTXPMUNL-RTBURBONSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001331505157 1389773634 /nfs/dbraw/zinc/77/36/34/1389773634.db2.gz SNDZFHPNBKXWFE-JKSUJKDBSA-N 2 2 336.439 3.146 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001339092676 1389896244 /nfs/dbraw/zinc/89/62/44/1389896244.db2.gz DNSFCGOATFHFTB-UHFFFAOYSA-N 2 2 336.182 3.463 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001332219130 1390050205 /nfs/dbraw/zinc/05/02/05/1390050205.db2.gz MXKCEUBAZMCKFA-HOTGVXAUSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001332219130 1390050208 /nfs/dbraw/zinc/05/02/08/1390050208.db2.gz MXKCEUBAZMCKFA-HOTGVXAUSA-N 2 2 334.508 3.056 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001332807110 1390191349 /nfs/dbraw/zinc/19/13/49/1390191349.db2.gz OWDMJRIIGNETDZ-KRWDZBQOSA-N 2 2 334.508 3.043 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001332807110 1390191351 /nfs/dbraw/zinc/19/13/51/1390191351.db2.gz OWDMJRIIGNETDZ-KRWDZBQOSA-N 2 2 334.508 3.043 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001333753539 1390393220 /nfs/dbraw/zinc/39/32/20/1390393220.db2.gz KPGFEPYTSJAYBF-MRXNPFEDSA-N 2 2 325.456 3.200 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001333753539 1390393222 /nfs/dbraw/zinc/39/32/22/1390393222.db2.gz KPGFEPYTSJAYBF-MRXNPFEDSA-N 2 2 325.456 3.200 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cn3cccc(C)c3n2)[nH+]1 ZINC001340940529 1390409394 /nfs/dbraw/zinc/40/93/94/1390409394.db2.gz ROGNPUKHSJDQQB-SFHVURJKSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cn3cccc(C)c3n2)[nH+]1 ZINC001340940529 1390409397 /nfs/dbraw/zinc/40/93/97/1390409397.db2.gz ROGNPUKHSJDQQB-SFHVURJKSA-N 2 2 335.455 3.423 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2cc(OCC(F)F)ccn2)CC1 ZINC001334388746 1390530343 /nfs/dbraw/zinc/53/03/43/1390530343.db2.gz DFUPFKWLQKUQEI-UHFFFAOYSA-N 2 2 341.446 3.326 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3[nH+]ccn3C)cc2)C1 ZINC001346283331 1390919677 /nfs/dbraw/zinc/91/96/77/1390919677.db2.gz IYTQRMOOGOBEOO-MRXNPFEDSA-N 2 2 340.471 3.223 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3[nH+]ccn3C)cc2)C1 ZINC001346283331 1390919679 /nfs/dbraw/zinc/91/96/79/1390919679.db2.gz IYTQRMOOGOBEOO-MRXNPFEDSA-N 2 2 340.471 3.223 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001348973684 1391290959 /nfs/dbraw/zinc/29/09/59/1391290959.db2.gz VYEZAJQYXJQJPL-SFHVURJKSA-N 2 2 334.410 3.207 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001348973684 1391290962 /nfs/dbraw/zinc/29/09/62/1391290962.db2.gz VYEZAJQYXJQJPL-SFHVURJKSA-N 2 2 334.410 3.207 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001698853201 1406557385 /nfs/dbraw/zinc/55/73/85/1406557385.db2.gz VKQAYKOWIAKCJO-XJKSGUPXSA-N 2 2 348.878 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387666 1392733342 /nfs/dbraw/zinc/73/33/42/1392733342.db2.gz SMRCINVDWJXNOD-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387666 1392733343 /nfs/dbraw/zinc/73/33/43/1392733343.db2.gz SMRCINVDWJXNOD-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001480764057 1392919913 /nfs/dbraw/zinc/91/99/13/1392919913.db2.gz PMRPPIFXFFDHEG-CQSZACIVSA-N 2 2 330.476 3.177 20 0 EGADLP CC(C)C[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001698881787 1406611882 /nfs/dbraw/zinc/61/18/82/1406611882.db2.gz NFMIYJYQXDQSFW-KRWDZBQOSA-N 2 2 342.487 3.259 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001482544472 1395081035 /nfs/dbraw/zinc/08/10/35/1395081035.db2.gz FXIRAFUQDILJLP-IEBWSBKVSA-N 2 2 342.487 3.073 20 0 EGADLP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c(C)s1 ZINC001484743492 1395499258 /nfs/dbraw/zinc/49/92/58/1395499258.db2.gz BGARJOHMAOSIBI-UHFFFAOYSA-N 2 2 348.516 3.001 20 0 EGADLP Cc1cc(C[N@H+](C)CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c(C)s1 ZINC001484743492 1395499262 /nfs/dbraw/zinc/49/92/62/1395499262.db2.gz BGARJOHMAOSIBI-UHFFFAOYSA-N 2 2 348.516 3.001 20 0 EGADLP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c(C)s1 ZINC001484743492 1395499265 /nfs/dbraw/zinc/49/92/65/1395499265.db2.gz BGARJOHMAOSIBI-UHFFFAOYSA-N 2 2 348.516 3.001 20 0 EGADLP Cc1cc(C[N@H+](C)CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c(C)s1 ZINC001484743492 1395499271 /nfs/dbraw/zinc/49/92/71/1395499271.db2.gz BGARJOHMAOSIBI-UHFFFAOYSA-N 2 2 348.516 3.001 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001698601520 1406227861 /nfs/dbraw/zinc/22/78/61/1406227861.db2.gz TZYFKDIZKTULNV-CZUORRHYSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001698601520 1406227863 /nfs/dbraw/zinc/22/78/63/1406227863.db2.gz TZYFKDIZKTULNV-CZUORRHYSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001732219089 1428467387 /nfs/dbraw/zinc/46/73/87/1428467387.db2.gz VMNWINICSKDORJ-WBMJQRKESA-N 2 2 348.878 3.160 20 0 EGADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001732357179 1428546629 /nfs/dbraw/zinc/54/66/29/1428546629.db2.gz YKBREJRLUALPJB-CABCVRRESA-N 2 2 348.878 3.030 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001732595435 1428829716 /nfs/dbraw/zinc/82/97/16/1428829716.db2.gz RSXARXFFCFCLEX-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001732595435 1428829719 /nfs/dbraw/zinc/82/97/19/1428829719.db2.gz RSXARXFFCFCLEX-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001732595435 1428829727 /nfs/dbraw/zinc/82/97/27/1428829727.db2.gz RSXARXFFCFCLEX-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001732595435 1428829731 /nfs/dbraw/zinc/82/97/31/1428829731.db2.gz RSXARXFFCFCLEX-IRXDYDNUSA-N 2 2 342.487 3.048 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053244 1429192954 /nfs/dbraw/zinc/19/29/54/1429192954.db2.gz IBYSHGCVTGZTRB-GUYCJALGSA-N 2 2 348.878 3.193 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053244 1429192961 /nfs/dbraw/zinc/19/29/61/1429192961.db2.gz IBYSHGCVTGZTRB-GUYCJALGSA-N 2 2 348.878 3.193 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001713267100 1417875773 /nfs/dbraw/zinc/87/57/73/1417875773.db2.gz INUMWLCPROLZEM-MSOLQXFVSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713925162 1418717477 /nfs/dbraw/zinc/71/74/77/1418717477.db2.gz KCZYWSRJIAAPHT-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714156111 1418966611 /nfs/dbraw/zinc/96/66/11/1418966611.db2.gz MDFPQYONJNKTBX-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714156111 1418966614 /nfs/dbraw/zinc/96/66/14/1418966614.db2.gz MDFPQYONJNKTBX-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001714158335 1418969803 /nfs/dbraw/zinc/96/98/03/1418969803.db2.gz ZEAYFZFNWODEPA-IAGOWNOFSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001714158335 1418969807 /nfs/dbraw/zinc/96/98/07/1418969807.db2.gz ZEAYFZFNWODEPA-IAGOWNOFSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001714415937 1419153414 /nfs/dbraw/zinc/15/34/14/1419153414.db2.gz NMZOHXLWEVGKJU-HNNXBMFYSA-N 2 2 339.483 3.471 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714856488 1419573541 /nfs/dbraw/zinc/57/35/41/1419573541.db2.gz QITOORXEJXKRIQ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001714856488 1419573543 /nfs/dbraw/zinc/57/35/43/1419573543.db2.gz QITOORXEJXKRIQ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714856488 1419573546 /nfs/dbraw/zinc/57/35/46/1419573546.db2.gz QITOORXEJXKRIQ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001714856488 1419573549 /nfs/dbraw/zinc/57/35/49/1419573549.db2.gz QITOORXEJXKRIQ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@](C[NH2+]Cc1ccccc1)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001715118599 1419863905 /nfs/dbraw/zinc/86/39/05/1419863905.db2.gz PYXQTQYHAMQLIQ-OAQYLSRUSA-N 2 2 348.450 3.023 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001715269908 1419986031 /nfs/dbraw/zinc/98/60/31/1419986031.db2.gz JATPULJJIRAYTE-OLZOCXBDSA-N 2 2 348.878 3.017 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001716062412 1420522771 /nfs/dbraw/zinc/52/27/71/1420522771.db2.gz VBLOVRKJQKJBAC-HKUYNNGSSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001716062412 1420522773 /nfs/dbraw/zinc/52/27/73/1420522773.db2.gz VBLOVRKJQKJBAC-HKUYNNGSSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001716146375 1420541511 /nfs/dbraw/zinc/54/15/11/1420541511.db2.gz ZSAJPUYEIUZBHX-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001716146375 1420541512 /nfs/dbraw/zinc/54/15/12/1420541512.db2.gz ZSAJPUYEIUZBHX-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001716404421 1420637347 /nfs/dbraw/zinc/63/73/47/1420637347.db2.gz LBBKQEKLMZBNLV-QAPCUYQASA-N 2 2 348.450 3.120 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672921 1420829802 /nfs/dbraw/zinc/82/98/02/1420829802.db2.gz HVMHRQNJTNARFM-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672921 1420829805 /nfs/dbraw/zinc/82/98/05/1420829805.db2.gz HVMHRQNJTNARFM-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001716768979 1420913676 /nfs/dbraw/zinc/91/36/76/1420913676.db2.gz JOMFTLUBPGVSJU-WMZOPIPTSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]([NH2+]CCC1CCCCCC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001716971565 1421057304 /nfs/dbraw/zinc/05/73/04/1421057304.db2.gz OXWNJSCRMOUBCC-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001717447540 1421377354 /nfs/dbraw/zinc/37/73/54/1421377354.db2.gz OYAJDKAOGWXEOI-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC001717447540 1421377355 /nfs/dbraw/zinc/37/73/55/1421377355.db2.gz OYAJDKAOGWXEOI-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C)cs1 ZINC001725740666 1426416412 /nfs/dbraw/zinc/41/64/12/1426416412.db2.gz QKCOWJAUDFSLRO-MRXNPFEDSA-N 2 2 348.516 3.033 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C)cs1 ZINC001725740666 1426416414 /nfs/dbraw/zinc/41/64/14/1426416414.db2.gz QKCOWJAUDFSLRO-MRXNPFEDSA-N 2 2 348.516 3.033 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3[C@H](C)[NH2+]CC(C)C)ccn12 ZINC001731293811 1427236143 /nfs/dbraw/zinc/23/61/43/1427236143.db2.gz SEKCPLJSFUKQNT-FUHWJXTLSA-N 2 2 342.487 3.272 20 0 EGADLP CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CCC2CC2)CC1 ZINC001731387857 1427336711 /nfs/dbraw/zinc/33/67/11/1427336711.db2.gz WECOWJKVYGGZNU-QGZVFWFLSA-N 2 2 346.519 3.337 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001731538807 1427540922 /nfs/dbraw/zinc/54/09/22/1427540922.db2.gz NXRLPBKNHBWOBF-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001731538807 1427540924 /nfs/dbraw/zinc/54/09/24/1427540924.db2.gz NXRLPBKNHBWOBF-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CCCCCC1 ZINC001731607458 1427652523 /nfs/dbraw/zinc/65/25/23/1427652523.db2.gz UPUCJYDEFVVBHJ-MRXNPFEDSA-N 2 2 342.487 3.403 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761721 1429977082 /nfs/dbraw/zinc/97/70/82/1429977082.db2.gz YQKCOYCJPDGFIY-AEFFLSMTSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761721 1429977083 /nfs/dbraw/zinc/97/70/83/1429977083.db2.gz YQKCOYCJPDGFIY-AEFFLSMTSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761721 1429977084 /nfs/dbraw/zinc/97/70/84/1429977084.db2.gz YQKCOYCJPDGFIY-AEFFLSMTSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761721 1429977086 /nfs/dbraw/zinc/97/70/86/1429977086.db2.gz YQKCOYCJPDGFIY-AEFFLSMTSA-N 2 2 340.471 3.074 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734103621 1437889031 /nfs/dbraw/zinc/88/90/31/1437889031.db2.gz KYVWFTXIEDNSTP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734103621 1437889032 /nfs/dbraw/zinc/88/90/32/1437889032.db2.gz KYVWFTXIEDNSTP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734103621 1437889033 /nfs/dbraw/zinc/88/90/33/1437889033.db2.gz KYVWFTXIEDNSTP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734103621 1437889034 /nfs/dbraw/zinc/88/90/34/1437889034.db2.gz KYVWFTXIEDNSTP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464463 1438120467 /nfs/dbraw/zinc/12/04/67/1438120467.db2.gz XYKUYAZLNSNIIP-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464463 1438120468 /nfs/dbraw/zinc/12/04/68/1438120468.db2.gz XYKUYAZLNSNIIP-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464463 1438120469 /nfs/dbraw/zinc/12/04/69/1438120469.db2.gz XYKUYAZLNSNIIP-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464463 1438120470 /nfs/dbraw/zinc/12/04/70/1438120470.db2.gz XYKUYAZLNSNIIP-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752159799 1440148652 /nfs/dbraw/zinc/14/86/52/1440148652.db2.gz UAUMHRRYQWOKSF-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752515159 1440190896 /nfs/dbraw/zinc/19/08/96/1440190896.db2.gz XMOSKSBBKWKLTK-GOSISDBHSA-N 2 2 346.519 3.063 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001752515159 1440190897 /nfs/dbraw/zinc/19/08/97/1440190897.db2.gz XMOSKSBBKWKLTK-GOSISDBHSA-N 2 2 346.519 3.063 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CCC3=CCCCC3)ccn12 ZINC001752873698 1440237538 /nfs/dbraw/zinc/23/75/38/1440237538.db2.gz WPYJBMNHGFJTSA-OAHLLOKOSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccccc1C1CC1 ZINC001752889015 1440240500 /nfs/dbraw/zinc/24/05/00/1440240500.db2.gz YJCHAPACCRNVIA-OAHLLOKOSA-N 2 2 348.450 3.120 20 0 EGADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C1CC1 ZINC001752906528 1440244338 /nfs/dbraw/zinc/24/43/38/1440244338.db2.gz LSYGPYARJIGPOB-HZPDHXFCSA-N 2 2 340.471 3.006 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCC(C)(C)CC1 ZINC001753083886 1440295216 /nfs/dbraw/zinc/29/52/16/1440295216.db2.gz VXECJNOJYUKRCJ-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCC(C)(C)CC1 ZINC001753083886 1440295217 /nfs/dbraw/zinc/29/52/17/1440295217.db2.gz VXECJNOJYUKRCJ-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC001753083886 1440295218 /nfs/dbraw/zinc/29/52/18/1440295218.db2.gz VXECJNOJYUKRCJ-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC001753083886 1440295219 /nfs/dbraw/zinc/29/52/19/1440295219.db2.gz VXECJNOJYUKRCJ-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@H](C)CC(C)C ZINC001753085542 1440296066 /nfs/dbraw/zinc/29/60/66/1440296066.db2.gz FXPOWWCZSLABRU-MRXNPFEDSA-N 2 2 330.476 3.068 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@H](C)CC(C)C ZINC001753085542 1440296067 /nfs/dbraw/zinc/29/60/67/1440296067.db2.gz FXPOWWCZSLABRU-MRXNPFEDSA-N 2 2 330.476 3.068 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336889 1440372701 /nfs/dbraw/zinc/37/27/01/1440372701.db2.gz BTXMGCIVJXMSBR-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336889 1440372702 /nfs/dbraw/zinc/37/27/02/1440372702.db2.gz BTXMGCIVJXMSBR-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336889 1440372703 /nfs/dbraw/zinc/37/27/03/1440372703.db2.gz BTXMGCIVJXMSBR-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336889 1440372704 /nfs/dbraw/zinc/37/27/04/1440372704.db2.gz BTXMGCIVJXMSBR-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)c1ccccc1Cl ZINC001753493639 1440420604 /nfs/dbraw/zinc/42/06/04/1440420604.db2.gz OCJOVHFIVNAJCQ-TZMCWYRMSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001753640089 1440454214 /nfs/dbraw/zinc/45/42/14/1440454214.db2.gz AXPQSWRRVJXKHE-STQMWFEESA-N 2 2 348.878 3.017 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CCC(C)(C)C)CCCC2)c[nH+]1 ZINC001753665037 1440460005 /nfs/dbraw/zinc/46/00/05/1440460005.db2.gz MDACIWFBZQVAPJ-UHFFFAOYSA-N 2 2 348.535 3.381 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001753694951 1440467314 /nfs/dbraw/zinc/46/73/14/1440467314.db2.gz JXUWZQYBNKYNPI-DLBZAZTESA-N 2 2 342.487 3.157 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001753694951 1440467315 /nfs/dbraw/zinc/46/73/15/1440467315.db2.gz JXUWZQYBNKYNPI-DLBZAZTESA-N 2 2 342.487 3.157 20 0 EGADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001753758152 1440483535 /nfs/dbraw/zinc/48/35/35/1440483535.db2.gz APSUPKKHNVKWDC-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CC(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1)n1cc[nH+]c1 ZINC001753821462 1440496272 /nfs/dbraw/zinc/49/62/72/1440496272.db2.gz FAZXHIVZFMPCFI-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1)n1cc[nH+]c1 ZINC001753821462 1440496273 /nfs/dbraw/zinc/49/62/73/1440496273.db2.gz FAZXHIVZFMPCFI-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001753856435 1440509040 /nfs/dbraw/zinc/50/90/40/1440509040.db2.gz ZXKYMNBKTRRKPZ-GOSISDBHSA-N 2 2 348.535 3.297 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001753856435 1440509041 /nfs/dbraw/zinc/50/90/41/1440509041.db2.gz ZXKYMNBKTRRKPZ-GOSISDBHSA-N 2 2 348.535 3.297 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001754018630 1440532183 /nfs/dbraw/zinc/53/21/83/1440532183.db2.gz WFQUMXAGMZWZQR-STQMWFEESA-N 2 2 348.878 3.160 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001754230137 1440553977 /nfs/dbraw/zinc/55/39/77/1440553977.db2.gz HAQQOFGFOZFWRK-SJLPKXTDSA-N 2 2 346.519 3.145 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001754526872 1440621386 /nfs/dbraw/zinc/62/13/86/1440621386.db2.gz UGMOCXGFTIFXEA-UHFFFAOYSA-N 2 2 340.471 3.161 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754543352 1440626619 /nfs/dbraw/zinc/62/66/19/1440626619.db2.gz BRXJJMCGFYHXJM-WWEPYPCMSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754543352 1440626620 /nfs/dbraw/zinc/62/66/20/1440626620.db2.gz BRXJJMCGFYHXJM-WWEPYPCMSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754543352 1440626621 /nfs/dbraw/zinc/62/66/21/1440626621.db2.gz BRXJJMCGFYHXJM-WWEPYPCMSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754543352 1440626622 /nfs/dbraw/zinc/62/66/22/1440626622.db2.gz BRXJJMCGFYHXJM-WWEPYPCMSA-N 2 2 344.503 3.010 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001754564579 1440634856 /nfs/dbraw/zinc/63/48/56/1440634856.db2.gz GXKAJCHAUSBRRN-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001754564579 1440634857 /nfs/dbraw/zinc/63/48/57/1440634857.db2.gz GXKAJCHAUSBRRN-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566744 1440635898 /nfs/dbraw/zinc/63/58/98/1440635898.db2.gz BLCJHLFOZAOKAG-AZUAARDMSA-N 2 2 346.519 3.339 20 0 EGADLP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566744 1440635899 /nfs/dbraw/zinc/63/58/99/1440635899.db2.gz BLCJHLFOZAOKAG-AZUAARDMSA-N 2 2 346.519 3.339 20 0 EGADLP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001754627252 1440646697 /nfs/dbraw/zinc/64/66/97/1440646697.db2.gz HDESUMHFLQUMKW-SFHVURJKSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754658917 1440654166 /nfs/dbraw/zinc/65/41/66/1440654166.db2.gz VSPHIGVXFTWCQN-CEXWTWQISA-N 2 2 346.519 3.192 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754658917 1440654167 /nfs/dbraw/zinc/65/41/67/1440654167.db2.gz VSPHIGVXFTWCQN-CEXWTWQISA-N 2 2 346.519 3.192 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673510 1440659021 /nfs/dbraw/zinc/65/90/21/1440659021.db2.gz BLBCSVMWUBHOGC-UYAOXDASSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673510 1440659022 /nfs/dbraw/zinc/65/90/22/1440659022.db2.gz BLBCSVMWUBHOGC-UYAOXDASSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673510 1440659023 /nfs/dbraw/zinc/65/90/23/1440659023.db2.gz BLBCSVMWUBHOGC-UYAOXDASSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673510 1440659024 /nfs/dbraw/zinc/65/90/24/1440659024.db2.gz BLBCSVMWUBHOGC-UYAOXDASSA-N 2 2 340.471 3.074 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001754701287 1440667986 /nfs/dbraw/zinc/66/79/86/1440667986.db2.gz XCIYSDFPUBCZTJ-FBQMEGEOSA-N 2 2 340.471 3.132 20 0 EGADLP CC[C@@H](F)C[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001754717944 1440672111 /nfs/dbraw/zinc/67/21/11/1440672111.db2.gz KJWXPCPTNPXUIU-OAHLLOKOSA-N 2 2 346.450 3.143 20 0 EGADLP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754797638 1440689877 /nfs/dbraw/zinc/68/98/77/1440689877.db2.gz RSVIQDVUDULDET-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001754828551 1440693876 /nfs/dbraw/zinc/69/38/76/1440693876.db2.gz MPHGNMIMMWTJGB-ZWKOTPCHSA-N 2 2 348.535 3.174 20 0 EGADLP O=C(NCC1([NH2+]CC2CCCCC2)CCC1)c1cccc2[nH+]ccn21 ZINC001754984218 1440722278 /nfs/dbraw/zinc/72/22/78/1440722278.db2.gz ZYFBHSXEKCENQP-UHFFFAOYSA-N 2 2 340.471 3.157 20 0 EGADLP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001755070520 1440746362 /nfs/dbraw/zinc/74/63/62/1440746362.db2.gz JXNLQUYUBBSWQG-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755135525 1440758106 /nfs/dbraw/zinc/75/81/06/1440758106.db2.gz SHVPOOHZBIRIOC-UHFFFAOYSA-N 2 2 348.535 3.484 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)CC1CCCC1 ZINC001755309532 1440812593 /nfs/dbraw/zinc/81/25/93/1440812593.db2.gz CTVQXOUCKPYMSN-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)CC1CCCC1 ZINC001755309532 1440812594 /nfs/dbraw/zinc/81/25/94/1440812594.db2.gz CTVQXOUCKPYMSN-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCC(C)(C)C ZINC001755549892 1440871759 /nfs/dbraw/zinc/87/17/59/1440871759.db2.gz IBGQMSWJCFLNCS-FUHWJXTLSA-N 2 2 348.535 3.002 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755563248 1440875033 /nfs/dbraw/zinc/87/50/33/1440875033.db2.gz GHLHLZCBBWTGCH-WRFKIARRSA-N 2 2 340.471 3.131 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC(C)CC1 ZINC001755595616 1440882632 /nfs/dbraw/zinc/88/26/32/1440882632.db2.gz SVXLPEMHHIGIBA-CGZBRXJRSA-N 2 2 342.487 3.211 20 0 EGADLP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001755711435 1440903716 /nfs/dbraw/zinc/90/37/16/1440903716.db2.gz GOLLVJWAESGQTP-CEXWTWQISA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001755757265 1440914317 /nfs/dbraw/zinc/91/43/17/1440914317.db2.gz LSXAVCDSUYNWKO-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001755757265 1440914318 /nfs/dbraw/zinc/91/43/18/1440914318.db2.gz LSXAVCDSUYNWKO-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CCC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001755834686 1440929772 /nfs/dbraw/zinc/92/97/72/1440929772.db2.gz JGUYJZCRRAJQIS-QGZVFWFLSA-N 2 2 348.535 3.433 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000368232536 168328977 /nfs/dbraw/zinc/32/89/77/168328977.db2.gz BQSCPKQXOPZDNO-UDTPNQRGSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000368232536 168328980 /nfs/dbraw/zinc/32/89/80/168328980.db2.gz BQSCPKQXOPZDNO-UDTPNQRGSA-N 2 2 340.471 3.329 20 0 EGADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000053203961 214169743 /nfs/dbraw/zinc/16/97/43/214169743.db2.gz PVSWOJFYJKIKKW-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000053203961 214169747 /nfs/dbraw/zinc/16/97/47/214169747.db2.gz PVSWOJFYJKIKKW-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP Cc1nnc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352448810 282339465 /nfs/dbraw/zinc/33/94/65/282339465.db2.gz VSQCEVZRKDVZND-BMGDILEWSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352448810 282339467 /nfs/dbraw/zinc/33/94/67/282339467.db2.gz VSQCEVZRKDVZND-BMGDILEWSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352448810 282339468 /nfs/dbraw/zinc/33/94/68/282339468.db2.gz VSQCEVZRKDVZND-BMGDILEWSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352448810 282339470 /nfs/dbraw/zinc/33/94/70/282339470.db2.gz VSQCEVZRKDVZND-BMGDILEWSA-N 2 2 342.512 3.361 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969170 232044977 /nfs/dbraw/zinc/04/49/77/232044977.db2.gz OCIXGJFOVCRRSQ-DBXWQHBBSA-N 3 2 329.532 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969170 232044981 /nfs/dbraw/zinc/04/49/81/232044981.db2.gz OCIXGJFOVCRRSQ-DBXWQHBBSA-N 3 2 329.532 3.012 20 0 EGADLP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1OC(F)F ZINC000178825383 232522157 /nfs/dbraw/zinc/52/21/57/232522157.db2.gz ZZQUMNRPQJMPSB-UHFFFAOYSA-N 2 2 328.403 3.259 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859637 216317906 /nfs/dbraw/zinc/31/79/06/216317906.db2.gz SVXFSWQHHAIVGO-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859637 216317909 /nfs/dbraw/zinc/31/79/09/216317909.db2.gz SVXFSWQHHAIVGO-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859637 216317911 /nfs/dbraw/zinc/31/79/11/216317911.db2.gz SVXFSWQHHAIVGO-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859637 216317914 /nfs/dbraw/zinc/31/79/14/216317914.db2.gz SVXFSWQHHAIVGO-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860956 216321309 /nfs/dbraw/zinc/32/13/09/216321309.db2.gz ATCGWMXFWQXILH-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860956 216321311 /nfs/dbraw/zinc/32/13/11/216321311.db2.gz ATCGWMXFWQXILH-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860956 216321315 /nfs/dbraw/zinc/32/13/15/216321315.db2.gz ATCGWMXFWQXILH-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000072860956 216321316 /nfs/dbraw/zinc/32/13/16/216321316.db2.gz ATCGWMXFWQXILH-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP C[NH+]1CCC(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000072962607 216332209 /nfs/dbraw/zinc/33/22/09/216332209.db2.gz UCDWKZWNWLCTRR-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP C[N@H+](CCO[C@@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193071961 240007632 /nfs/dbraw/zinc/00/76/32/240007632.db2.gz AWZCKGBMNUGATM-HXUWFJFHSA-N 2 2 332.488 3.126 20 0 EGADLP C[N@@H+](CCO[C@@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193071961 240007639 /nfs/dbraw/zinc/00/76/39/240007639.db2.gz AWZCKGBMNUGATM-HXUWFJFHSA-N 2 2 332.488 3.126 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000230046688 242225304 /nfs/dbraw/zinc/22/53/04/242225304.db2.gz MMXABYFBSLXGOK-TUKIKUTGSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000230046688 242225310 /nfs/dbraw/zinc/22/53/10/242225310.db2.gz MMXABYFBSLXGOK-TUKIKUTGSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390687 243242500 /nfs/dbraw/zinc/24/25/00/243242500.db2.gz PESKITWXDMAHCX-CVEARBPZSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246390687 243242503 /nfs/dbraw/zinc/24/25/03/243242503.db2.gz PESKITWXDMAHCX-CVEARBPZSA-N 2 2 325.456 3.050 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736220 217329950 /nfs/dbraw/zinc/32/99/50/217329950.db2.gz ZMZRHSKDTLHVOS-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736220 217329953 /nfs/dbraw/zinc/32/99/53/217329953.db2.gz ZMZRHSKDTLHVOS-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736220 217329955 /nfs/dbraw/zinc/32/99/55/217329955.db2.gz ZMZRHSKDTLHVOS-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736220 217329957 /nfs/dbraw/zinc/32/99/57/217329957.db2.gz ZMZRHSKDTLHVOS-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049838 247161947 /nfs/dbraw/zinc/16/19/47/247161947.db2.gz LJYIDTDEVQWPTD-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049838 247161948 /nfs/dbraw/zinc/16/19/48/247161948.db2.gz LJYIDTDEVQWPTD-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049838 247161951 /nfs/dbraw/zinc/16/19/51/247161951.db2.gz LJYIDTDEVQWPTD-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049838 247161955 /nfs/dbraw/zinc/16/19/55/247161955.db2.gz LJYIDTDEVQWPTD-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266921575 248507942 /nfs/dbraw/zinc/50/79/42/248507942.db2.gz MFJYCUDXQGLNKP-OLZOCXBDSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266921575 248507944 /nfs/dbraw/zinc/50/79/44/248507944.db2.gz MFJYCUDXQGLNKP-OLZOCXBDSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654343 169055014 /nfs/dbraw/zinc/05/50/14/169055014.db2.gz TXJVTPWEYUQNPW-JKSUJKDBSA-N 2 2 337.533 3.284 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654343 169055016 /nfs/dbraw/zinc/05/50/16/169055016.db2.gz TXJVTPWEYUQNPW-JKSUJKDBSA-N 2 2 337.533 3.284 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)c(F)c1 ZINC000378518978 169135264 /nfs/dbraw/zinc/13/52/64/169135264.db2.gz MMRZGQWFDNPEFV-YOEHRIQHSA-N 2 2 335.398 3.324 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000378617262 169147563 /nfs/dbraw/zinc/14/75/63/169147563.db2.gz MUQJCTGIIZAVDK-WMLDXEAASA-N 2 2 326.444 3.378 20 0 EGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC(F)F ZINC000092648679 218155852 /nfs/dbraw/zinc/15/58/52/218155852.db2.gz GMJDMPBTSHHYJP-UHFFFAOYSA-N 2 2 337.370 3.330 20 0 EGADLP COCCCOc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092659313 218157468 /nfs/dbraw/zinc/15/74/68/218157468.db2.gz UDYCAFMNHIPVBT-UHFFFAOYSA-N 2 2 329.444 3.136 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3cnccn23)CC[N@@H+]1Cc1ccccc1 ZINC000093318123 218213814 /nfs/dbraw/zinc/21/38/14/218213814.db2.gz JPALCXCIEPTFQN-PKOBYXMFSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3cnccn23)CC[N@H+]1Cc1ccccc1 ZINC000093318123 218213816 /nfs/dbraw/zinc/21/38/16/218213816.db2.gz JPALCXCIEPTFQN-PKOBYXMFSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318123 218213817 /nfs/dbraw/zinc/21/38/17/218213817.db2.gz JPALCXCIEPTFQN-PKOBYXMFSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318123 218213819 /nfs/dbraw/zinc/21/38/19/218213819.db2.gz JPALCXCIEPTFQN-PKOBYXMFSA-N 2 2 349.482 3.214 20 0 EGADLP COCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000093336746 218215155 /nfs/dbraw/zinc/21/51/55/218215155.db2.gz DPIOGSYVSKZFNG-SFHVURJKSA-N 2 2 328.456 3.380 20 0 EGADLP COCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000093336746 218215158 /nfs/dbraw/zinc/21/51/58/218215158.db2.gz DPIOGSYVSKZFNG-SFHVURJKSA-N 2 2 328.456 3.380 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000093336746 218215160 /nfs/dbraw/zinc/21/51/60/218215160.db2.gz DPIOGSYVSKZFNG-SFHVURJKSA-N 2 2 328.456 3.380 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000093336746 218215162 /nfs/dbraw/zinc/21/51/62/218215162.db2.gz DPIOGSYVSKZFNG-SFHVURJKSA-N 2 2 328.456 3.380 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1nccs1 ZINC000093400926 218222135 /nfs/dbraw/zinc/22/21/35/218222135.db2.gz VOFQVAKCBKJWTG-GJZGRUSLSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1nccs1 ZINC000093400926 218222136 /nfs/dbraw/zinc/22/21/36/218222136.db2.gz VOFQVAKCBKJWTG-GJZGRUSLSA-N 2 2 331.485 3.215 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742212 218245094 /nfs/dbraw/zinc/24/50/94/218245094.db2.gz ZGOULMNKEQPTNA-OAHLLOKOSA-N 2 2 330.451 3.380 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742212 218245096 /nfs/dbraw/zinc/24/50/96/218245096.db2.gz ZGOULMNKEQPTNA-OAHLLOKOSA-N 2 2 330.451 3.380 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742212 218245097 /nfs/dbraw/zinc/24/50/97/218245097.db2.gz ZGOULMNKEQPTNA-OAHLLOKOSA-N 2 2 330.451 3.380 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093742212 218245099 /nfs/dbraw/zinc/24/50/99/218245099.db2.gz ZGOULMNKEQPTNA-OAHLLOKOSA-N 2 2 330.451 3.380 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)ccn1 ZINC000095420003 218360866 /nfs/dbraw/zinc/36/08/66/218360866.db2.gz FIDBOOHRLPKTHL-UHFFFAOYSA-N 2 2 343.446 3.026 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)C[NH+]1CCOCC1 ZINC000153330161 224088731 /nfs/dbraw/zinc/08/87/31/224088731.db2.gz RVGNTSGKPWWHLX-OLZOCXBDSA-N 2 2 346.393 3.046 20 0 EGADLP C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842974 221195730 /nfs/dbraw/zinc/19/57/30/221195730.db2.gz AVPQIJQWQSWREQ-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842974 221195732 /nfs/dbraw/zinc/19/57/32/221195732.db2.gz AVPQIJQWQSWREQ-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842974 221195735 /nfs/dbraw/zinc/19/57/35/221195735.db2.gz AVPQIJQWQSWREQ-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842974 221195737 /nfs/dbraw/zinc/19/57/37/221195737.db2.gz AVPQIJQWQSWREQ-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154883339 224321038 /nfs/dbraw/zinc/32/10/38/224321038.db2.gz UUCMZDWUIOFDAC-GFCCVEGCSA-N 2 2 346.393 3.189 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246594500 141017439 /nfs/dbraw/zinc/01/74/39/141017439.db2.gz ZRLNRIQXOFILCR-ZSXPUABSSA-N 2 2 345.531 3.333 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246594500 141017440 /nfs/dbraw/zinc/01/74/40/141017440.db2.gz ZRLNRIQXOFILCR-ZSXPUABSSA-N 2 2 345.531 3.333 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000246733047 141028681 /nfs/dbraw/zinc/02/86/81/141028681.db2.gz GHUFTVVFLXOLIE-QWFCFKBJSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000246733047 141028684 /nfs/dbraw/zinc/02/86/84/141028684.db2.gz GHUFTVVFLXOLIE-QWFCFKBJSA-N 2 2 343.515 3.373 20 0 EGADLP COCC[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000338360294 141106734 /nfs/dbraw/zinc/10/67/34/141106734.db2.gz PSYJYXUOBYJUMM-LPHOPBHVSA-N 2 2 347.503 3.055 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)[C@@H](C)C1 ZINC000342812693 141150008 /nfs/dbraw/zinc/15/00/08/141150008.db2.gz MAMFBPRXXORKJB-UVBJJODRSA-N 2 2 338.293 3.225 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)[C@@H](C)C1 ZINC000342812693 141150007 /nfs/dbraw/zinc/15/00/07/141150007.db2.gz MAMFBPRXXORKJB-UVBJJODRSA-N 2 2 338.293 3.225 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000342812691 141150077 /nfs/dbraw/zinc/15/00/77/141150077.db2.gz MAMFBPRXXORKJB-IUIKQTSFSA-N 2 2 338.293 3.225 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)C1 ZINC000342812691 141150078 /nfs/dbraw/zinc/15/00/78/141150078.db2.gz MAMFBPRXXORKJB-IUIKQTSFSA-N 2 2 338.293 3.225 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000344528640 141169167 /nfs/dbraw/zinc/16/91/67/141169167.db2.gz MICXSQJWXNYMFN-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344528640 141169170 /nfs/dbraw/zinc/16/91/70/141169170.db2.gz MICXSQJWXNYMFN-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP Cc1sccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000352982347 141282762 /nfs/dbraw/zinc/28/27/62/141282762.db2.gz GVXXFZCCYWEQGL-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1sccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000352982347 141282764 /nfs/dbraw/zinc/28/27/64/141282764.db2.gz GVXXFZCCYWEQGL-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1sccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000352982347 141282766 /nfs/dbraw/zinc/28/27/66/141282766.db2.gz GVXXFZCCYWEQGL-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1sccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000352982347 141282768 /nfs/dbraw/zinc/28/27/68/141282768.db2.gz GVXXFZCCYWEQGL-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000353354683 141294091 /nfs/dbraw/zinc/29/40/91/141294091.db2.gz PZVHEKBPJYHLQK-WIYYLYMNSA-N 2 2 340.515 3.334 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000353354683 141294093 /nfs/dbraw/zinc/29/40/93/141294093.db2.gz PZVHEKBPJYHLQK-WIYYLYMNSA-N 2 2 340.515 3.334 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c[nH+]1 ZINC000353445043 141297376 /nfs/dbraw/zinc/29/73/76/141297376.db2.gz FYCOLPXBVXOSID-QGZVFWFLSA-N 2 2 343.515 3.293 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000359636664 141393991 /nfs/dbraw/zinc/39/39/91/141393991.db2.gz HHWUXPISQVMSBF-OIISXLGYSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000359636664 141393993 /nfs/dbraw/zinc/39/39/93/141393993.db2.gz HHWUXPISQVMSBF-OIISXLGYSA-N 2 2 344.421 3.333 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806020 549334818 /nfs/dbraw/zinc/33/48/18/549334818.db2.gz UMLLMMCVSVDHHO-IEBWSBKVSA-N 2 2 338.499 3.440 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806020 549334824 /nfs/dbraw/zinc/33/48/24/549334824.db2.gz UMLLMMCVSVDHHO-IEBWSBKVSA-N 2 2 338.499 3.440 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(C[NH+](C)C)c2)c1C ZINC000172618888 144024202 /nfs/dbraw/zinc/02/42/02/144024202.db2.gz ZDHFPULWHVSGRR-UHFFFAOYSA-N 2 2 341.455 3.041 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000173791639 144049007 /nfs/dbraw/zinc/04/90/07/144049007.db2.gz OXSZAKJGMAUHBY-APWZRJJASA-N 2 2 347.503 3.076 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000173791639 144049009 /nfs/dbraw/zinc/04/90/09/144049009.db2.gz OXSZAKJGMAUHBY-APWZRJJASA-N 2 2 347.503 3.076 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cs1 ZINC000186346433 144130715 /nfs/dbraw/zinc/13/07/15/144130715.db2.gz SLIQHRQBLDMZQC-LSDHHAIUSA-N 2 2 337.533 3.418 20 0 EGADLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187171601 144154370 /nfs/dbraw/zinc/15/43/70/144154370.db2.gz JBFKRMPQLBIRLY-OXJNMPFZSA-N 2 2 348.450 3.294 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000187308728 144156783 /nfs/dbraw/zinc/15/67/83/144156783.db2.gz SIWASSIVXOSLAV-BHIYHBOVSA-N 2 2 334.891 3.462 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344723524 144215586 /nfs/dbraw/zinc/21/55/86/144215586.db2.gz KWJAJWSSBIBESP-ICSRJNTNSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344723524 144215587 /nfs/dbraw/zinc/21/55/87/144215587.db2.gz KWJAJWSSBIBESP-ICSRJNTNSA-N 3 2 329.532 3.219 20 0 EGADLP c1cn(Cc2ccc(NCc3ccn(-c4ccccc4)n3)[nH+]c2)c[nH+]1 ZINC000351550427 144278101 /nfs/dbraw/zinc/27/81/01/144278101.db2.gz KUKZBICQCFYWOW-UHFFFAOYSA-N 2 2 330.395 3.124 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851275 144316243 /nfs/dbraw/zinc/31/62/43/144316243.db2.gz KZBHPUAJDXIMNJ-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851275 144316244 /nfs/dbraw/zinc/31/62/44/144316244.db2.gz KZBHPUAJDXIMNJ-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878646 144319674 /nfs/dbraw/zinc/31/96/74/144319674.db2.gz FJEYBKVQUZMDRK-SFTDATJTSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878646 144319675 /nfs/dbraw/zinc/31/96/75/144319675.db2.gz FJEYBKVQUZMDRK-SFTDATJTSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000351878646 144319676 /nfs/dbraw/zinc/31/96/76/144319676.db2.gz FJEYBKVQUZMDRK-SFTDATJTSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000351878646 144319677 /nfs/dbraw/zinc/31/96/77/144319677.db2.gz FJEYBKVQUZMDRK-SFTDATJTSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cccn2c(CN3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c12 ZINC000352287618 144323091 /nfs/dbraw/zinc/32/30/91/144323091.db2.gz PVJQUSKVSNTLSO-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP Cc1cccn2c(CN3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c12 ZINC000352287618 144323092 /nfs/dbraw/zinc/32/30/92/144323092.db2.gz PVJQUSKVSNTLSO-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)C ZINC000361710781 144352387 /nfs/dbraw/zinc/35/23/87/144352387.db2.gz CYOWHVIDSPTYFQ-UHFFFAOYSA-N 2 2 329.444 3.202 20 0 EGADLP CCOC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC(C)C ZINC000361710781 144352388 /nfs/dbraw/zinc/35/23/88/144352388.db2.gz CYOWHVIDSPTYFQ-UHFFFAOYSA-N 2 2 329.444 3.202 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000341113025 155166114 /nfs/dbraw/zinc/16/61/14/155166114.db2.gz DMDMPTRZBBBQBK-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000341113025 155166115 /nfs/dbraw/zinc/16/61/15/155166115.db2.gz DMDMPTRZBBBQBK-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000341346729 155245950 /nfs/dbraw/zinc/24/59/50/155245950.db2.gz GFZNRFDQEYCECE-GOSISDBHSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1c[nH+]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000341346729 155245955 /nfs/dbraw/zinc/24/59/55/155245955.db2.gz GFZNRFDQEYCECE-GOSISDBHSA-N 2 2 326.488 3.119 20 0 EGADLP c1ccc(SCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341439959 155292448 /nfs/dbraw/zinc/29/24/48/155292448.db2.gz JLRDWVWGYHUEQG-UHFFFAOYSA-N 2 2 327.497 3.428 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117764925 152115742 /nfs/dbraw/zinc/11/57/42/152115742.db2.gz SMURYRWPINACAT-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117764925 152115746 /nfs/dbraw/zinc/11/57/46/152115746.db2.gz SMURYRWPINACAT-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP COc1cc(C)ccc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119667333 152221736 /nfs/dbraw/zinc/22/17/36/152221736.db2.gz UOJNRITUXNUAHM-UHFFFAOYSA-N 2 2 346.394 3.140 20 0 EGADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120347526 152268875 /nfs/dbraw/zinc/26/88/75/152268875.db2.gz PKPQNZHJLGCDGF-CQSZACIVSA-N 2 2 338.386 3.301 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000190670177 153154330 /nfs/dbraw/zinc/15/43/30/153154330.db2.gz RICDUGRGULBMDR-HXUWFJFHSA-N 2 2 338.499 3.464 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192925101 153268617 /nfs/dbraw/zinc/26/86/17/153268617.db2.gz OPSOMPKOZBDAFR-KRWDZBQOSA-N 2 2 342.439 3.068 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192925101 153268618 /nfs/dbraw/zinc/26/86/18/153268618.db2.gz OPSOMPKOZBDAFR-KRWDZBQOSA-N 2 2 342.439 3.068 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccc2c1 ZINC000327394925 154186356 /nfs/dbraw/zinc/18/63/56/154186356.db2.gz DCADPHITQYDSPL-ZRCAFCQKSA-N 2 2 340.467 3.362 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)ccc2c1 ZINC000327394925 154186360 /nfs/dbraw/zinc/18/63/60/154186360.db2.gz DCADPHITQYDSPL-ZRCAFCQKSA-N 2 2 340.467 3.362 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCCO2 ZINC000367436898 286429193 /nfs/dbraw/zinc/42/91/93/286429193.db2.gz HQBHLZKNUJMYSM-QGZVFWFLSA-N 2 2 327.428 3.232 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)[C@H](C[NH3+])C1 ZINC000346858714 156166180 /nfs/dbraw/zinc/16/61/80/156166180.db2.gz YJLNMSDELFPULR-KBPBESRZSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)[C@H](C[NH3+])C1 ZINC000346858714 156166185 /nfs/dbraw/zinc/16/61/85/156166185.db2.gz YJLNMSDELFPULR-KBPBESRZSA-N 2 2 334.460 3.492 20 0 EGADLP CCC1(CC)[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C[C@@H]1OC ZINC000346927533 156200911 /nfs/dbraw/zinc/20/09/11/156200911.db2.gz BPGXCAJDQHDAKE-KURKYZTESA-N 2 2 346.519 3.228 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346992191 156235636 /nfs/dbraw/zinc/23/56/36/156235636.db2.gz AKOSYHPTFPKQFR-NSHDSACASA-N 2 2 349.219 3.221 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346992191 156235638 /nfs/dbraw/zinc/23/56/38/156235638.db2.gz AKOSYHPTFPKQFR-NSHDSACASA-N 2 2 349.219 3.221 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1C1CC1 ZINC000365626631 157195891 /nfs/dbraw/zinc/19/58/91/157195891.db2.gz JECYAXPGXDFRBB-INIZCTEOSA-N 2 2 340.471 3.236 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1C1CC1 ZINC000365626631 157195893 /nfs/dbraw/zinc/19/58/93/157195893.db2.gz JECYAXPGXDFRBB-INIZCTEOSA-N 2 2 340.471 3.236 20 0 EGADLP COCc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000125392367 162271952 /nfs/dbraw/zinc/27/19/52/162271952.db2.gz FAWLVXSTMGJPII-UHFFFAOYSA-N 2 2 325.412 3.003 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)c1 ZINC000127289331 162328540 /nfs/dbraw/zinc/32/85/40/162328540.db2.gz PWAZIKLNYGFLLW-LJQANCHMSA-N 2 2 329.488 3.127 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248408556 163001671 /nfs/dbraw/zinc/00/16/71/163001671.db2.gz VPWCEZWYPNDWKN-HNAYVOBHSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248408556 163001673 /nfs/dbraw/zinc/00/16/73/163001673.db2.gz VPWCEZWYPNDWKN-HNAYVOBHSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248408556 163001675 /nfs/dbraw/zinc/00/16/75/163001675.db2.gz VPWCEZWYPNDWKN-HNAYVOBHSA-N 2 2 346.446 3.061 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248899187 163044509 /nfs/dbraw/zinc/04/45/09/163044509.db2.gz UZGZQISRSCVGIT-AZUAARDMSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248899187 163044511 /nfs/dbraw/zinc/04/45/11/163044511.db2.gz UZGZQISRSCVGIT-AZUAARDMSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000248899187 163044513 /nfs/dbraw/zinc/04/45/13/163044513.db2.gz UZGZQISRSCVGIT-AZUAARDMSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000248899187 163044514 /nfs/dbraw/zinc/04/45/14/163044514.db2.gz UZGZQISRSCVGIT-AZUAARDMSA-N 2 2 342.531 3.375 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000248909175 163046002 /nfs/dbraw/zinc/04/60/02/163046002.db2.gz ZLWFSCHYEKYSDD-UYAOXDASSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000248909175 163046003 /nfs/dbraw/zinc/04/60/03/163046003.db2.gz ZLWFSCHYEKYSDD-UYAOXDASSA-N 3 2 344.547 3.004 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000305163441 163075872 /nfs/dbraw/zinc/07/58/72/163075872.db2.gz XQXGOOPFGOCNLY-SQWLQELKSA-N 2 2 340.558 3.356 20 0 EGADLP CC(C)(C)c1cnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000336881962 163086627 /nfs/dbraw/zinc/08/66/27/163086627.db2.gz UYWLCTVWPCYKOJ-UHFFFAOYSA-N 2 2 335.492 3.049 20 0 EGADLP C(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)SC1CCCCC1 ZINC000337257073 163182904 /nfs/dbraw/zinc/18/29/04/163182904.db2.gz TXGKVWFHIJKTNG-KRWDZBQOSA-N 2 2 326.550 3.097 20 0 EGADLP C(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)SC1CCCCC1 ZINC000337257073 163182906 /nfs/dbraw/zinc/18/29/06/163182906.db2.gz TXGKVWFHIJKTNG-KRWDZBQOSA-N 2 2 326.550 3.097 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278679 163192613 /nfs/dbraw/zinc/19/26/13/163192613.db2.gz SZQHWKJSWDOQNF-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278679 163192616 /nfs/dbraw/zinc/19/26/16/163192616.db2.gz SZQHWKJSWDOQNF-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP COC(=O)[C@]12C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]1CCCC2 ZINC000342166590 163804087 /nfs/dbraw/zinc/80/40/87/163804087.db2.gz ZMXAMBNELPKTDL-FXAWDEMLSA-N 2 2 339.439 3.038 20 0 EGADLP COC(=O)[C@]12C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]1CCCC2 ZINC000342166590 163804091 /nfs/dbraw/zinc/80/40/91/163804091.db2.gz ZMXAMBNELPKTDL-FXAWDEMLSA-N 2 2 339.439 3.038 20 0 EGADLP CC1CCC(N(C(=O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C2CC2)CC1 ZINC000343726247 164021141 /nfs/dbraw/zinc/02/11/41/164021141.db2.gz GOTMKQDVSJMMTH-UHFFFAOYSA-N 2 2 347.547 3.116 20 0 EGADLP CC1CCC(N(C(=O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)C2CC2)CC1 ZINC000343726247 164021142 /nfs/dbraw/zinc/02/11/42/164021142.db2.gz GOTMKQDVSJMMTH-UHFFFAOYSA-N 2 2 347.547 3.116 20 0 EGADLP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(F)c1F ZINC000343945506 164071603 /nfs/dbraw/zinc/07/16/03/164071603.db2.gz VZRMJAGIMJHOEO-CYBMUJFWSA-N 2 2 335.398 3.151 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000344004986 164080999 /nfs/dbraw/zinc/08/09/99/164080999.db2.gz YVVXVVIZIZDVAD-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000344004986 164081001 /nfs/dbraw/zinc/08/10/01/164081001.db2.gz YVVXVVIZIZDVAD-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000344128138 164110262 /nfs/dbraw/zinc/11/02/62/164110262.db2.gz JCXCOGPLOHAUIO-RCOXNQKVSA-N 2 2 343.515 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000344128138 164110265 /nfs/dbraw/zinc/11/02/65/164110265.db2.gz JCXCOGPLOHAUIO-RCOXNQKVSA-N 2 2 343.515 3.087 20 0 EGADLP CCC1(CC)[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1OC ZINC000344158587 164117123 /nfs/dbraw/zinc/11/71/23/164117123.db2.gz CBTQUTYXUCOZCG-IRXDYDNUSA-N 2 2 326.525 3.059 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@@H+]1C ZINC000344319329 164155617 /nfs/dbraw/zinc/15/56/17/164155617.db2.gz BRXPRSIYMSCKEL-OXJNMPFZSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@H+]1C ZINC000344319329 164155620 /nfs/dbraw/zinc/15/56/20/164155620.db2.gz BRXPRSIYMSCKEL-OXJNMPFZSA-N 2 2 325.456 3.233 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)CC(C)C ZINC000344399240 164170291 /nfs/dbraw/zinc/17/02/91/164170291.db2.gz DWTORUGOPJSEAS-LJQANCHMSA-N 2 2 342.487 3.359 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000346155162 164352072 /nfs/dbraw/zinc/35/20/72/164352072.db2.gz GKKQWNOERPHMQG-MISYRCLQSA-N 2 2 346.515 3.071 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862959 166050492 /nfs/dbraw/zinc/05/04/92/166050492.db2.gz XPRXWFUZNAZRFQ-LEWJYISDSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[N@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862959 166050494 /nfs/dbraw/zinc/05/04/94/166050494.db2.gz XPRXWFUZNAZRFQ-LEWJYISDSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862959 166050496 /nfs/dbraw/zinc/05/04/96/166050496.db2.gz XPRXWFUZNAZRFQ-LEWJYISDSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862959 166050497 /nfs/dbraw/zinc/05/04/97/166050497.db2.gz XPRXWFUZNAZRFQ-LEWJYISDSA-N 2 2 338.499 3.342 20 0 EGADLP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000346313351 164367732 /nfs/dbraw/zinc/36/77/32/164367732.db2.gz PSHZFYFUROSAOQ-OAHLLOKOSA-N 2 2 333.863 3.500 20 0 EGADLP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000346313351 164367734 /nfs/dbraw/zinc/36/77/34/164367734.db2.gz PSHZFYFUROSAOQ-OAHLLOKOSA-N 2 2 333.863 3.500 20 0 EGADLP COCC[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000346320223 164368969 /nfs/dbraw/zinc/36/89/69/164368969.db2.gz FRSJDXBARQCGPP-HNNXBMFYSA-N 2 2 348.409 3.234 20 0 EGADLP Cc1[nH+]cccc1Cc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000346394595 164379590 /nfs/dbraw/zinc/37/95/90/164379590.db2.gz FWTCSDPYTUJGRV-UHFFFAOYSA-N 2 2 326.375 3.232 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000354933837 166067399 /nfs/dbraw/zinc/06/73/99/166067399.db2.gz HSZAMBVBEICKRM-CVEARBPZSA-N 2 2 330.394 3.396 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000352048296 165209773 /nfs/dbraw/zinc/20/97/73/165209773.db2.gz LZMANODTUCENTG-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000352048296 165209777 /nfs/dbraw/zinc/20/97/77/165209777.db2.gz LZMANODTUCENTG-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000352048296 165209779 /nfs/dbraw/zinc/20/97/79/165209779.db2.gz LZMANODTUCENTG-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000352048296 165209782 /nfs/dbraw/zinc/20/97/82/165209782.db2.gz LZMANODTUCENTG-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP CC[C@H](C[NH2+]Cc1cnn(CC(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000352086670 165228099 /nfs/dbraw/zinc/22/80/99/165228099.db2.gz GSAYRQIZGDVSJZ-GOSISDBHSA-N 2 2 348.441 3.075 20 0 EGADLP CC[C@H](C[NH2+]Cc1cnn(CC(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000352086670 165228101 /nfs/dbraw/zinc/22/81/01/165228101.db2.gz GSAYRQIZGDVSJZ-GOSISDBHSA-N 2 2 348.441 3.075 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000352535295 165462187 /nfs/dbraw/zinc/46/21/87/165462187.db2.gz OTRBEDUWJANUJD-GOSISDBHSA-N 2 2 340.414 3.262 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000352535295 165462189 /nfs/dbraw/zinc/46/21/89/165462189.db2.gz OTRBEDUWJANUJD-GOSISDBHSA-N 2 2 340.414 3.262 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208402 166133666 /nfs/dbraw/zinc/13/36/66/166133666.db2.gz HVNWUSPQYDTUDC-DJIMGWMZSA-N 2 2 335.517 3.094 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208402 166133668 /nfs/dbraw/zinc/13/36/68/166133668.db2.gz HVNWUSPQYDTUDC-DJIMGWMZSA-N 2 2 335.517 3.094 20 0 EGADLP CCN(CC)C(=O)[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000359064942 167056343 /nfs/dbraw/zinc/05/63/43/167056343.db2.gz GNQIPHUBESURMT-LJQANCHMSA-N 2 2 345.531 3.308 20 0 EGADLP COCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000360644716 167377611 /nfs/dbraw/zinc/37/76/11/167377611.db2.gz XLJZNJAEMFQTNQ-SFHVURJKSA-N 2 2 329.444 3.006 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1N(C)C ZINC000366286961 168102338 /nfs/dbraw/zinc/10/23/38/168102338.db2.gz QWLJCEFJOBCTII-AWEZNQCLSA-N 2 2 339.418 3.323 20 0 EGADLP C([NH2+][C@@H]1CCCC12CCOCC2)C1([NH+]2CCSCC2)CCCC1 ZINC000367095795 168178981 /nfs/dbraw/zinc/17/89/81/168178981.db2.gz ZMPOWGTXUYOSOP-QGZVFWFLSA-N 2 2 338.561 3.287 20 0 EGADLP CC(C)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000367733290 168264555 /nfs/dbraw/zinc/26/45/55/168264555.db2.gz GZJMXHRBROWNBU-HZPDHXFCSA-N 2 2 332.492 3.023 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158787989 225085994 /nfs/dbraw/zinc/08/59/94/225085994.db2.gz YHHIPHOAIYDSSY-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158787989 225085998 /nfs/dbraw/zinc/08/59/98/225085998.db2.gz YHHIPHOAIYDSSY-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158787989 225086003 /nfs/dbraw/zinc/08/60/03/225086003.db2.gz YHHIPHOAIYDSSY-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158787989 225086005 /nfs/dbraw/zinc/08/60/05/225086005.db2.gz YHHIPHOAIYDSSY-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122875465 222174602 /nfs/dbraw/zinc/17/46/02/222174602.db2.gz VVUDTRHNGHJGBI-SUMWQHHRSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122875465 222174606 /nfs/dbraw/zinc/17/46/06/222174606.db2.gz VVUDTRHNGHJGBI-SUMWQHHRSA-N 2 2 346.862 3.367 20 0 EGADLP c1cn(CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c[nH+]1 ZINC000123859384 222343100 /nfs/dbraw/zinc/34/31/00/222343100.db2.gz ASDINCJWMYCCEX-UHFFFAOYSA-N 2 2 346.478 3.290 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034274 265225551 /nfs/dbraw/zinc/22/55/51/265225551.db2.gz PUSPQVOMNNVCGQ-ZWKOTPCHSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034274 265225553 /nfs/dbraw/zinc/22/55/53/265225553.db2.gz PUSPQVOMNNVCGQ-ZWKOTPCHSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034274 265225555 /nfs/dbraw/zinc/22/55/55/265225555.db2.gz PUSPQVOMNNVCGQ-ZWKOTPCHSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034274 265225557 /nfs/dbraw/zinc/22/55/57/265225557.db2.gz PUSPQVOMNNVCGQ-ZWKOTPCHSA-N 2 2 337.552 3.220 20 0 EGADLP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000185677436 265500018 /nfs/dbraw/zinc/50/00/18/265500018.db2.gz DSLJEPBJZGJBPA-MGPUTAFESA-N 2 2 326.440 3.239 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000273243367 267004239 /nfs/dbraw/zinc/00/42/39/267004239.db2.gz QPPNKJDBNHRNBL-CQSZACIVSA-N 2 2 330.476 3.018 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000273325043 267020932 /nfs/dbraw/zinc/02/09/32/267020932.db2.gz XOUAOTRREDUFDH-SOUVJXGZSA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000273325043 267020936 /nfs/dbraw/zinc/02/09/36/267020936.db2.gz XOUAOTRREDUFDH-SOUVJXGZSA-N 2 2 334.460 3.370 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[C@@H](C[NH+]4CCOCC4)C3)[nH+]c2c1 ZINC000274059798 267174460 /nfs/dbraw/zinc/17/44/60/267174460.db2.gz MUHKGWUDJSHGGK-KRWDZBQOSA-N 2 2 325.456 3.010 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)no2)c(F)c1 ZINC000275443026 267362388 /nfs/dbraw/zinc/36/23/88/267362388.db2.gz JWDMUEDQIZIYEM-LLVKDONJSA-N 2 2 345.353 3.118 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)no2)c(F)c1 ZINC000275443026 267362389 /nfs/dbraw/zinc/36/23/89/267362389.db2.gz JWDMUEDQIZIYEM-LLVKDONJSA-N 2 2 345.353 3.118 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)ccc1F ZINC000275547225 267379224 /nfs/dbraw/zinc/37/92/24/267379224.db2.gz GAXVEKLWQGSQJU-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547225 267379215 /nfs/dbraw/zinc/37/92/15/267379215.db2.gz GAXVEKLWQGSQJU-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547225 267379219 /nfs/dbraw/zinc/37/92/19/267379219.db2.gz GAXVEKLWQGSQJU-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)ccc1F ZINC000275547225 267379221 /nfs/dbraw/zinc/37/92/21/267379221.db2.gz GAXVEKLWQGSQJU-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000278521936 268031004 /nfs/dbraw/zinc/03/10/04/268031004.db2.gz CRSXTFJRKXCILL-MRXNPFEDSA-N 2 2 339.439 3.260 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538387 268034644 /nfs/dbraw/zinc/03/46/44/268034644.db2.gz NWDVWNMJSCHHPC-CHWSQXEVSA-N 2 2 330.394 3.255 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538387 268034646 /nfs/dbraw/zinc/03/46/46/268034646.db2.gz NWDVWNMJSCHHPC-CHWSQXEVSA-N 2 2 330.394 3.255 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538393 268034816 /nfs/dbraw/zinc/03/48/16/268034816.db2.gz NWDVWNMJSCHHPC-QWHCGFSZSA-N 2 2 330.394 3.255 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538393 268034817 /nfs/dbraw/zinc/03/48/17/268034817.db2.gz NWDVWNMJSCHHPC-QWHCGFSZSA-N 2 2 330.394 3.255 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000353548679 274017552 /nfs/dbraw/zinc/01/75/52/274017552.db2.gz MWIOERLXXOIQBA-QUCCMNQESA-N 2 2 345.531 3.479 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000353548679 274017555 /nfs/dbraw/zinc/01/75/55/274017555.db2.gz MWIOERLXXOIQBA-QUCCMNQESA-N 2 2 345.531 3.479 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000090913901 275153642 /nfs/dbraw/zinc/15/36/42/275153642.db2.gz TXJROAUXBNHOMW-ONTIZHBOSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CC2 ZINC000090913901 275153644 /nfs/dbraw/zinc/15/36/44/275153644.db2.gz TXJROAUXBNHOMW-ONTIZHBOSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C3CC3)C3CCCC3)c2cc1C ZINC000103466028 275162655 /nfs/dbraw/zinc/16/26/55/275162655.db2.gz RVTIBEHUSCOZIN-SFHVURJKSA-N 2 2 327.472 3.421 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C3CC3)C3CCCC3)c2cc1C ZINC000103466028 275162656 /nfs/dbraw/zinc/16/26/56/275162656.db2.gz RVTIBEHUSCOZIN-SFHVURJKSA-N 2 2 327.472 3.421 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000278944682 275289993 /nfs/dbraw/zinc/28/99/93/275289993.db2.gz YGSONMXALNLKPD-MRXNPFEDSA-N 2 2 336.907 3.498 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000278944682 275289994 /nfs/dbraw/zinc/28/99/94/275289994.db2.gz YGSONMXALNLKPD-MRXNPFEDSA-N 2 2 336.907 3.498 20 0 EGADLP OC[C@@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000279617099 275344293 /nfs/dbraw/zinc/34/42/93/275344293.db2.gz AJCVKPAHYBGPDG-LJQANCHMSA-N 2 2 336.907 3.445 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085346 275368528 /nfs/dbraw/zinc/36/85/28/275368528.db2.gz SKXUCJVJLRMSKI-UKRRQHHQSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085346 275368531 /nfs/dbraw/zinc/36/85/31/275368531.db2.gz SKXUCJVJLRMSKI-UKRRQHHQSA-N 2 2 346.272 3.039 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282178709 275609148 /nfs/dbraw/zinc/60/91/48/275609148.db2.gz MQUXWEKTRWZDDQ-QGZVFWFLSA-N 2 2 344.503 3.300 20 0 EGADLP CC[C@H](Nc1cccc(NC(=O)C[NH+](CC)CC)c1)c1[nH+]ccn1C ZINC000287015695 276071211 /nfs/dbraw/zinc/07/12/11/276071211.db2.gz KWLFXNNCSPOUBF-KRWDZBQOSA-N 2 2 343.475 3.264 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000072281265 276151206 /nfs/dbraw/zinc/15/12/06/276151206.db2.gz DSUCWVYMBMEUNM-LBPRGKRZSA-N 2 2 343.393 3.106 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000289200864 276303600 /nfs/dbraw/zinc/30/36/00/276303600.db2.gz VLHUVHGNEKXWHK-QGZVFWFLSA-N 2 2 333.476 3.312 20 0 EGADLP Cc1ccncc1CCCNc1ccccc1C[NH+]1CCOCC1 ZINC000289305699 276319213 /nfs/dbraw/zinc/31/92/13/276319213.db2.gz RKXIJVPNZHZLBP-UHFFFAOYSA-N 2 2 325.456 3.267 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccccc1C[NH+]1CCOCC1 ZINC000289305699 276319215 /nfs/dbraw/zinc/31/92/15/276319215.db2.gz RKXIJVPNZHZLBP-UHFFFAOYSA-N 2 2 325.456 3.267 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000289350436 276326051 /nfs/dbraw/zinc/32/60/51/276326051.db2.gz XYIVHMOVAKBDRU-DLBZAZTESA-N 2 2 345.487 3.112 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000289350436 276326053 /nfs/dbraw/zinc/32/60/53/276326053.db2.gz XYIVHMOVAKBDRU-DLBZAZTESA-N 2 2 345.487 3.112 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1O ZINC000289585717 276362204 /nfs/dbraw/zinc/36/22/04/276362204.db2.gz FBAUHZUKBBBBIQ-CYBMUJFWSA-N 2 2 325.412 3.410 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000289707117 276381281 /nfs/dbraw/zinc/38/12/81/276381281.db2.gz KQMYNCRHGRLEKC-HNNXBMFYSA-N 2 2 346.475 3.160 20 0 EGADLP OC[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1c1ccccc1 ZINC000289802992 276397620 /nfs/dbraw/zinc/39/76/20/276397620.db2.gz LBCHWBGDAIBEEK-RTWAWAEBSA-N 2 2 333.435 3.128 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)c1cccc(OC(C)C)c1 ZINC000290448848 276497253 /nfs/dbraw/zinc/49/72/53/276497253.db2.gz SRUPDLLCFKEUNA-FQEVSTJZSA-N 2 2 328.456 3.433 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000237055390 276693265 /nfs/dbraw/zinc/69/32/65/276693265.db2.gz KFVWCLNCGRETNF-IFXJQAMLSA-N 2 2 342.487 3.136 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247542383 278003076 /nfs/dbraw/zinc/00/30/76/278003076.db2.gz DDRONCVTJQUADX-BBWFWOEESA-N 2 2 347.507 3.014 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247542383 278003077 /nfs/dbraw/zinc/00/30/77/278003077.db2.gz DDRONCVTJQUADX-BBWFWOEESA-N 2 2 347.507 3.014 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015624 280240496 /nfs/dbraw/zinc/24/04/96/280240496.db2.gz LGGOHZHSFNTGLD-VQTJNVASSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015624 280240498 /nfs/dbraw/zinc/24/04/98/280240498.db2.gz LGGOHZHSFNTGLD-VQTJNVASSA-N 2 2 349.563 3.221 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530183 289354860 /nfs/dbraw/zinc/35/48/60/289354860.db2.gz AOQBYWRYFCKWKE-IAGOWNOFSA-N 2 2 347.507 3.157 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)CCn2cc[nH+]c2C(C)C)c1C ZINC000073130268 307384285 /nfs/dbraw/zinc/38/42/85/307384285.db2.gz IQPKDMOLCYAHMB-UHFFFAOYSA-N 2 2 344.459 3.076 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000138709142 307719931 /nfs/dbraw/zinc/71/99/31/307719931.db2.gz JKOXSNVCEBPQCS-CQSZACIVSA-N 2 2 347.426 3.069 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153153801 307767115 /nfs/dbraw/zinc/76/71/15/307767115.db2.gz MACDPAMLJWSMSH-WMLDXEAASA-N 2 2 338.879 3.112 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1nccs1 ZINC000414275330 309070211 /nfs/dbraw/zinc/07/02/11/309070211.db2.gz WGZMSEAOSIVHOV-CGTJXYLNSA-N 2 2 345.512 3.331 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1nccs1 ZINC000414275330 309070212 /nfs/dbraw/zinc/07/02/12/309070212.db2.gz WGZMSEAOSIVHOV-CGTJXYLNSA-N 2 2 345.512 3.331 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCc3c2cccc3Br)n1C ZINC000414341077 309073933 /nfs/dbraw/zinc/07/39/33/309073933.db2.gz UYJAIFAKOKEBLD-HNNXBMFYSA-N 2 2 349.276 3.026 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)nn1 ZINC000414357192 309074819 /nfs/dbraw/zinc/07/48/19/309074819.db2.gz IMDZMBBATMXAFD-UHFFFAOYSA-N 2 2 336.439 3.300 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nn1 ZINC000414357192 309074820 /nfs/dbraw/zinc/07/48/20/309074820.db2.gz IMDZMBBATMXAFD-UHFFFAOYSA-N 2 2 336.439 3.300 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(-c2cccc(F)c2)nc1C ZINC000414392700 309077219 /nfs/dbraw/zinc/07/72/19/309077219.db2.gz CJGYGAJXTGRQJP-QUCCMNQESA-N 2 2 342.462 3.378 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(-c2cccc(F)c2)nc1C ZINC000414392700 309077220 /nfs/dbraw/zinc/07/72/20/309077220.db2.gz CJGYGAJXTGRQJP-QUCCMNQESA-N 2 2 342.462 3.378 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2cccc(F)c2)nc1C ZINC000414392700 309077221 /nfs/dbraw/zinc/07/72/21/309077221.db2.gz CJGYGAJXTGRQJP-QUCCMNQESA-N 2 2 342.462 3.378 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(-c2cccc(F)c2)nc1C ZINC000414392700 309077222 /nfs/dbraw/zinc/07/72/22/309077222.db2.gz CJGYGAJXTGRQJP-QUCCMNQESA-N 2 2 342.462 3.378 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000252643760 308032416 /nfs/dbraw/zinc/03/24/16/308032416.db2.gz GHQZVPCYRHCSKA-QUCCMNQESA-N 2 2 332.488 3.019 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000252643760 308032418 /nfs/dbraw/zinc/03/24/18/308032418.db2.gz GHQZVPCYRHCSKA-QUCCMNQESA-N 2 2 332.488 3.019 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000414438877 309080150 /nfs/dbraw/zinc/08/01/50/309080150.db2.gz RXCCVRZUXPNMLE-GOSISDBHSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000414438877 309080151 /nfs/dbraw/zinc/08/01/51/309080151.db2.gz RXCCVRZUXPNMLE-GOSISDBHSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000414441619 309080218 /nfs/dbraw/zinc/08/02/18/309080218.db2.gz JSGRUFQQQRMKJH-LIRRHRJNSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000414441619 309080219 /nfs/dbraw/zinc/08/02/19/309080219.db2.gz JSGRUFQQQRMKJH-LIRRHRJNSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000414441619 309080220 /nfs/dbraw/zinc/08/02/20/309080220.db2.gz JSGRUFQQQRMKJH-LIRRHRJNSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000414441619 309080221 /nfs/dbraw/zinc/08/02/21/309080221.db2.gz JSGRUFQQQRMKJH-LIRRHRJNSA-N 2 2 330.451 3.092 20 0 EGADLP CC(C)[C@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094968 308098977 /nfs/dbraw/zinc/09/89/77/308098977.db2.gz KRIAGOPFWLYKPO-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094968 308098978 /nfs/dbraw/zinc/09/89/78/308098978.db2.gz KRIAGOPFWLYKPO-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094968 308098980 /nfs/dbraw/zinc/09/89/80/308098980.db2.gz KRIAGOPFWLYKPO-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094968 308098982 /nfs/dbraw/zinc/09/89/82/308098982.db2.gz KRIAGOPFWLYKPO-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cnn(CC(F)F)c2)Cc2ccccc2)CC1 ZINC000294059625 308186825 /nfs/dbraw/zinc/18/68/25/308186825.db2.gz XRCZPQZIIZNVRF-UHFFFAOYSA-N 2 2 348.441 3.245 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cnn(CC(F)F)c2)Cc2ccccc2)CC1 ZINC000294059625 308186826 /nfs/dbraw/zinc/18/68/26/308186826.db2.gz XRCZPQZIIZNVRF-UHFFFAOYSA-N 2 2 348.441 3.245 20 0 EGADLP CCc1ccc([C@H](CNC(=O)CCc2[nH]cc[nH+]2)[NH+](CC)CC)cc1 ZINC000294641977 308240854 /nfs/dbraw/zinc/24/08/54/308240854.db2.gz QELVLKFIOUZQIW-SFHVURJKSA-N 2 2 342.487 3.104 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295108117 308292018 /nfs/dbraw/zinc/29/20/18/308292018.db2.gz LHICVOMVXPFGFD-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295108117 308292019 /nfs/dbraw/zinc/29/20/19/308292019.db2.gz LHICVOMVXPFGFD-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@H](C)c1nc2ccccc2s1 ZINC000295199774 308302094 /nfs/dbraw/zinc/30/20/94/308302094.db2.gz YNISARWPJBLQKU-JYJNAYRXSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@H](C)c1nc2ccccc2s1 ZINC000295199774 308302095 /nfs/dbraw/zinc/30/20/95/308302095.db2.gz YNISARWPJBLQKU-JYJNAYRXSA-N 2 2 347.528 3.225 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012301 308384482 /nfs/dbraw/zinc/38/44/82/308384482.db2.gz OWVPXEPQTQROFB-QGZVFWFLSA-N 2 2 343.471 3.493 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000296012301 308384483 /nfs/dbraw/zinc/38/44/83/308384483.db2.gz OWVPXEPQTQROFB-QGZVFWFLSA-N 2 2 343.471 3.493 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414769902 309099867 /nfs/dbraw/zinc/09/98/67/309099867.db2.gz ODEVZDFVVUYBME-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414769902 309099868 /nfs/dbraw/zinc/09/98/68/309099868.db2.gz ODEVZDFVVUYBME-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP COc1cc(OC)c(OC)cc1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298338168 308604841 /nfs/dbraw/zinc/60/48/41/308604841.db2.gz JEIYSTOQMDUWFS-UHFFFAOYSA-N 2 2 343.427 3.188 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414798291 309102056 /nfs/dbraw/zinc/10/20/56/309102056.db2.gz QBZQWAGDUAUDJK-LLVKDONJSA-N 2 2 337.208 3.123 20 0 EGADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414803099 309102451 /nfs/dbraw/zinc/10/24/51/309102451.db2.gz JGPMAYMKZPDOIB-GOSISDBHSA-N 2 2 345.531 3.026 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccccc1 ZINC000301237261 308692968 /nfs/dbraw/zinc/69/29/68/308692968.db2.gz KVEZQXZSJQNTII-GOSISDBHSA-N 2 2 339.487 3.052 20 0 EGADLP COc1cccc2c(N[C@H](C)[C@@H](C)[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000301669169 308709961 /nfs/dbraw/zinc/70/99/61/308709961.db2.gz MYJKIQOTOOXBAK-HUUCEWRRSA-N 2 2 329.444 3.073 20 0 EGADLP C[C@@H](CC[NH3+])[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414901815 309108363 /nfs/dbraw/zinc/10/83/63/309108363.db2.gz XMYIFZWTHWLYIV-NSHDSACASA-N 2 2 325.865 3.202 20 0 EGADLP Cc1cc(NC(=O)N2CCCC[C@H]2C[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000332554614 308839528 /nfs/dbraw/zinc/83/95/28/308839528.db2.gz RLDBYQWUZHCUHG-RDJZCZTQSA-N 2 2 345.491 3.114 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c(C)[nH+]1 ZINC000333058361 308848834 /nfs/dbraw/zinc/84/88/34/308848834.db2.gz CTVMTPWJQYCPIZ-UHFFFAOYSA-N 2 2 341.459 3.454 20 0 EGADLP CCOc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCC3)cs2)cc1OC ZINC000342130997 308880484 /nfs/dbraw/zinc/88/04/84/308880484.db2.gz OHBYFRLSTNYFBC-UHFFFAOYSA-N 2 2 347.484 3.188 20 0 EGADLP C[NH2+]CCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414858064 309105924 /nfs/dbraw/zinc/10/59/24/309105924.db2.gz HQRMXCAZEOQPQD-UHFFFAOYSA-N 2 2 325.865 3.075 20 0 EGADLP c1c(C[NH2+][C@H]2CCC[NH2+]C2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000414871660 309106507 /nfs/dbraw/zinc/10/65/07/309106507.db2.gz VBLYNYVBCMWDTH-IBGZPJMESA-N 2 2 332.451 3.381 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414870971 309106640 /nfs/dbraw/zinc/10/66/40/309106640.db2.gz NEKUYUXLACZPPB-UHFFFAOYSA-N 2 2 326.366 3.185 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414935666 309110138 /nfs/dbraw/zinc/11/01/38/309110138.db2.gz CECJQKFXUSVUMR-LIRRHRJNSA-N 2 2 346.906 3.432 20 0 EGADLP Fc1cc(F)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414940967 309110414 /nfs/dbraw/zinc/11/04/14/309110414.db2.gz CECSSOXBYJHQAM-CRAIPNDOSA-N 2 2 338.348 3.478 20 0 EGADLP COc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414946454 309110831 /nfs/dbraw/zinc/11/08/31/309110831.db2.gz JOSQWOCRLDBZSQ-DOMZBBRYSA-N 2 2 338.423 3.270 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000414951697 309111125 /nfs/dbraw/zinc/11/11/25/309111125.db2.gz PZDZUZNEXSAVJZ-CZUORRHYSA-N 2 2 337.439 3.219 20 0 EGADLP Cc1[nH+]cc(CNC[C@H]2[NH2+]CCc3ccccc32)n1-c1ccccc1 ZINC000414955819 309111216 /nfs/dbraw/zinc/11/12/16/309111216.db2.gz NNXMEIZSAIUYLX-OAQYLSRUSA-N 2 2 332.451 3.157 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415011018 309114052 /nfs/dbraw/zinc/11/40/52/309114052.db2.gz VQSYBEJXSUHDAF-NVXWUHKLSA-N 3 2 335.923 3.412 20 0 EGADLP [NH3+]C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000415071233 309118238 /nfs/dbraw/zinc/11/82/38/309118238.db2.gz WDYZWYDSZPMXNA-IBGZPJMESA-N 2 2 335.923 3.412 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073859 309118292 /nfs/dbraw/zinc/11/82/92/309118292.db2.gz ZYGCCUAHHWFMCP-AWEZNQCLSA-N 2 2 327.266 3.065 20 0 EGADLP Clc1ccc(C2(C[NH2+][C@@H]3CCC[NH2+]C3)CCOCC2)c(Cl)c1 ZINC000415085969 309119330 /nfs/dbraw/zinc/11/93/30/309119330.db2.gz JBCFRXYZHDNKKI-CQSZACIVSA-N 2 2 343.298 3.383 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415124975 309122202 /nfs/dbraw/zinc/12/22/02/309122202.db2.gz KSLQVQADYSBZLO-TZMCWYRMSA-N 2 2 326.868 3.164 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415124975 309122203 /nfs/dbraw/zinc/12/22/03/309122203.db2.gz KSLQVQADYSBZLO-TZMCWYRMSA-N 2 2 326.868 3.164 20 0 EGADLP C[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@H](C[NH3+])C1 ZINC000415184772 309125285 /nfs/dbraw/zinc/12/52/85/309125285.db2.gz KHEDYJMMCMKARE-HOCLYGCPSA-N 2 2 340.427 3.465 20 0 EGADLP C[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C[NH3+] ZINC000415188878 309125572 /nfs/dbraw/zinc/12/55/72/309125572.db2.gz RTHBLKUWSKGRCG-GJZGRUSLSA-N 2 2 340.427 3.323 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415291539 309129954 /nfs/dbraw/zinc/12/99/54/309129954.db2.gz HHYRBQQBTGUGKK-OAHLLOKOSA-N 2 2 341.459 3.176 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415953307 309151115 /nfs/dbraw/zinc/15/11/15/309151115.db2.gz FLTSDIJKHKLRFZ-QGZVFWFLSA-N 2 2 341.459 3.382 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415965718 309151662 /nfs/dbraw/zinc/15/16/62/309151662.db2.gz YKWSDLXWRAANTH-INIZCTEOSA-N 2 2 327.432 3.121 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415969218 309151902 /nfs/dbraw/zinc/15/19/02/309151902.db2.gz DKGYHMMMEWELHE-UHFFFAOYSA-N 2 2 337.427 3.015 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418369631 309244432 /nfs/dbraw/zinc/24/44/32/309244432.db2.gz UOFJJNUYEOODSH-IAGOWNOFSA-N 2 2 347.507 3.047 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1Cl ZINC000419299811 309263690 /nfs/dbraw/zinc/26/36/90/309263690.db2.gz ZQQQVIKGYBKYQW-CYBMUJFWSA-N 2 2 335.879 3.274 20 0 EGADLP Brc1cccc2c(N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc[nH+]c12 ZINC000420252876 309278073 /nfs/dbraw/zinc/27/80/73/309278073.db2.gz BXUPDHDUUAOLEA-NEPJUHHUSA-N 2 2 332.245 3.043 20 0 EGADLP [NH3+][C@H]1CCC[C@H](CNc2[nH+]ccc3cc(Br)ccc32)C1 ZINC000420290032 309279464 /nfs/dbraw/zinc/27/94/64/309279464.db2.gz UCYCJJSWXMFNTQ-FZMZJTMJSA-N 2 2 334.261 3.349 20 0 EGADLP C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000420289690 309279495 /nfs/dbraw/zinc/27/94/95/309279495.db2.gz KUWWEKUWYFGBPD-CCKFTAQKSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000420289690 309279496 /nfs/dbraw/zinc/27/94/96/309279496.db2.gz KUWWEKUWYFGBPD-CCKFTAQKSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303219 309280373 /nfs/dbraw/zinc/28/03/73/309280373.db2.gz HMGLGRDFKTUWPT-URLQWDBASA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303219 309280374 /nfs/dbraw/zinc/28/03/74/309280374.db2.gz HMGLGRDFKTUWPT-URLQWDBASA-N 2 2 341.430 3.175 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420315916 309281495 /nfs/dbraw/zinc/28/14/95/309281495.db2.gz SFVUFBDWUNMFGO-CYBMUJFWSA-N 2 2 332.469 3.262 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420315916 309281496 /nfs/dbraw/zinc/28/14/96/309281496.db2.gz SFVUFBDWUNMFGO-CYBMUJFWSA-N 2 2 332.469 3.262 20 0 EGADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)cc1 ZINC000420363461 309284323 /nfs/dbraw/zinc/28/43/23/309284323.db2.gz NWNIREAQFVNWPO-HNNXBMFYSA-N 2 2 347.484 3.060 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000420366708 309284474 /nfs/dbraw/zinc/28/44/74/309284474.db2.gz MDGAEVTVALOERV-JXXFODFXSA-N 2 2 325.456 3.137 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420376698 309285039 /nfs/dbraw/zinc/28/50/39/309285039.db2.gz QYRPEJRVGRVORI-MRXNPFEDSA-N 3 2 326.488 3.235 20 0 EGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420379671 309285374 /nfs/dbraw/zinc/28/53/74/309285374.db2.gz NEXOOKAORKYWTH-FUHWJXTLSA-N 2 2 337.467 3.209 20 0 EGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420379671 309285375 /nfs/dbraw/zinc/28/53/75/309285375.db2.gz NEXOOKAORKYWTH-FUHWJXTLSA-N 2 2 337.467 3.209 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420383548 309285451 /nfs/dbraw/zinc/28/54/51/309285451.db2.gz BURGXMOUXWKPJW-MRXNPFEDSA-N 2 2 341.455 3.347 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420383548 309285452 /nfs/dbraw/zinc/28/54/52/309285452.db2.gz BURGXMOUXWKPJW-MRXNPFEDSA-N 2 2 341.455 3.347 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420385754 309285761 /nfs/dbraw/zinc/28/57/61/309285761.db2.gz FHHHQSNOBICMAM-CRAIPNDOSA-N 2 2 325.456 3.123 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420385754 309285762 /nfs/dbraw/zinc/28/57/62/309285762.db2.gz FHHHQSNOBICMAM-CRAIPNDOSA-N 2 2 325.456 3.123 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420402649 309286487 /nfs/dbraw/zinc/28/64/87/309286487.db2.gz KEEIIUSUIUWIGQ-BZPMIXESSA-N 2 2 334.851 3.368 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420402649 309286488 /nfs/dbraw/zinc/28/64/88/309286488.db2.gz KEEIIUSUIUWIGQ-BZPMIXESSA-N 2 2 334.851 3.368 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420409935 309286862 /nfs/dbraw/zinc/28/68/62/309286862.db2.gz XRIOLYSWXCYJKC-GDBMZVCRSA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420409935 309286863 /nfs/dbraw/zinc/28/68/63/309286863.db2.gz XRIOLYSWXCYJKC-GDBMZVCRSA-N 2 2 330.451 3.159 20 0 EGADLP C[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(OC(F)(F)F)cc1 ZINC000420411025 309286986 /nfs/dbraw/zinc/28/69/86/309286986.db2.gz RPQMWJVWKHSEQY-VIFPVBQESA-N 2 2 344.337 3.013 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(C)[nH+]1 ZINC000420781203 309294382 /nfs/dbraw/zinc/29/43/82/309294382.db2.gz OYDGQVHFIHUNRF-KRWDZBQOSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(C)[nH+]1 ZINC000420781203 309294383 /nfs/dbraw/zinc/29/43/83/309294383.db2.gz OYDGQVHFIHUNRF-KRWDZBQOSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000420805651 309295722 /nfs/dbraw/zinc/29/57/22/309295722.db2.gz OVCWDMIDQBXFOL-KUHUBIRLSA-N 2 2 332.492 3.008 20 0 EGADLP Fc1cccc2c1C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420931108 309301935 /nfs/dbraw/zinc/30/19/35/309301935.db2.gz FWOPBFORUWTKJL-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1cccc2c1C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420931108 309301936 /nfs/dbraw/zinc/30/19/36/309301936.db2.gz FWOPBFORUWTKJL-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Cc1csc(C(C)(C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000420936237 309302556 /nfs/dbraw/zinc/30/25/56/309302556.db2.gz MJWZUHLAMJELAK-UHFFFAOYSA-N 2 2 345.512 3.309 20 0 EGADLP Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420941310 309302785 /nfs/dbraw/zinc/30/27/85/309302785.db2.gz SQWSHWVTLNUYEE-OAQYLSRUSA-N 2 2 339.483 3.194 20 0 EGADLP Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420941310 309302786 /nfs/dbraw/zinc/30/27/86/309302786.db2.gz SQWSHWVTLNUYEE-OAQYLSRUSA-N 2 2 339.483 3.194 20 0 EGADLP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946252 309303396 /nfs/dbraw/zinc/30/33/96/309303396.db2.gz AQPRIGNHSIYHEW-NQIIRXRSSA-N 2 2 346.515 3.034 20 0 EGADLP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946252 309303397 /nfs/dbraw/zinc/30/33/97/309303397.db2.gz AQPRIGNHSIYHEW-NQIIRXRSSA-N 2 2 346.515 3.034 20 0 EGADLP C[C@@H]1Cc2[nH+]cn(Cc3ccc(C[NH+]4CCOCC4)cc3)c2C[C@@H]1C ZINC000420970850 309305042 /nfs/dbraw/zinc/30/50/42/309305042.db2.gz JISQTPPWEKMGEZ-SJORKVTESA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc(C)[nH+]1 ZINC000421573985 309330285 /nfs/dbraw/zinc/33/02/85/309330285.db2.gz CWXJXTXZNFUFCT-UHFFFAOYSA-N 2 2 337.423 3.436 20 0 EGADLP COc1sc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Br ZINC000422559452 309361659 /nfs/dbraw/zinc/36/16/59/309361659.db2.gz DAJDEZHUMUVXRC-MXWKQRLJSA-N 2 2 347.322 3.324 20 0 EGADLP COc1sc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1Br ZINC000422559452 309361660 /nfs/dbraw/zinc/36/16/60/309361660.db2.gz DAJDEZHUMUVXRC-MXWKQRLJSA-N 2 2 347.322 3.324 20 0 EGADLP CCC(CC)(C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000422773973 309367707 /nfs/dbraw/zinc/36/77/07/309367707.db2.gz ZNEOTWYTYLPJHY-QWFCFKBJSA-N 3 2 347.547 3.253 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422816342 309370013 /nfs/dbraw/zinc/37/00/13/309370013.db2.gz ZQWHYHIFVITMPL-GQIGUUNPSA-N 2 2 325.456 3.166 20 0 EGADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422834239 309370906 /nfs/dbraw/zinc/37/09/06/309370906.db2.gz NNUMDUTZBMYELO-OALUTQOASA-N 2 2 326.488 3.266 20 0 EGADLP [NH3+][C@H]1CCCCC[C@@H]1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000422834239 309370907 /nfs/dbraw/zinc/37/09/07/309370907.db2.gz NNUMDUTZBMYELO-OALUTQOASA-N 2 2 326.488 3.266 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422868075 309372891 /nfs/dbraw/zinc/37/28/91/309372891.db2.gz UHGVETOLDBFFLA-WMZOPIPTSA-N 2 2 326.440 3.336 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])N2CCCC2)o1 ZINC000422876269 309373517 /nfs/dbraw/zinc/37/35/17/309373517.db2.gz FKCMVECOOIJNLG-IHPCNDPISA-N 2 2 341.499 3.273 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OC[C@H]2CCCO2)c1 ZINC000422880978 309373719 /nfs/dbraw/zinc/37/37/19/309373719.db2.gz YDJZLOXDDNVLGP-DOTOQJQBSA-N 2 2 341.455 3.211 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)c1c(Cl)cccc1Cl ZINC000422885953 309374126 /nfs/dbraw/zinc/37/41/26/309374126.db2.gz ZREKWUVOVHUGJP-UPJWGTAASA-N 2 2 331.287 3.454 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000422905734 309375572 /nfs/dbraw/zinc/37/55/72/309375572.db2.gz SPPBFZPABLCRSK-BHIYHBOVSA-N 3 2 342.462 3.412 20 0 EGADLP CC(C)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(F)cccc1Cl ZINC000422923548 309376508 /nfs/dbraw/zinc/37/65/08/309376508.db2.gz WNQYOPIEEPWPQZ-WBVHZDCISA-N 2 2 340.870 3.113 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939419 309377128 /nfs/dbraw/zinc/37/71/28/309377128.db2.gz RLQKTGZOOCJNKC-IEBWSBKVSA-N 2 2 340.467 3.089 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943853 309377430 /nfs/dbraw/zinc/37/74/30/309377430.db2.gz YUIJUXCDCTZSDO-YSGRDPCXSA-N 2 2 328.431 3.272 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422954689 309377866 /nfs/dbraw/zinc/37/78/66/309377866.db2.gz HYVXCWRBXNWGCM-CZUORRHYSA-N 2 2 342.405 3.441 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422964478 309378483 /nfs/dbraw/zinc/37/84/83/309378483.db2.gz LVPANPYMPIULHY-OXJNMPFZSA-N 2 2 339.483 3.451 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422968937 309378978 /nfs/dbraw/zinc/37/89/78/309378978.db2.gz YATDREMPRJUTLI-UZLBHIALSA-N 2 2 339.483 3.451 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423024402 309381586 /nfs/dbraw/zinc/38/15/86/309381586.db2.gz LTSMKEHRLPXFQC-IIYDPXPESA-N 2 2 325.859 3.178 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423037045 309382506 /nfs/dbraw/zinc/38/25/06/309382506.db2.gz VJWNAUVZDUNPJA-IAGOWNOFSA-N 2 2 337.467 3.151 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2)C1C[NH2+]C1 ZINC000423053503 309383216 /nfs/dbraw/zinc/38/32/16/309383216.db2.gz SQFLXGRRVRMCKL-UKRRQHHQSA-N 2 2 327.497 3.113 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423118455 309386857 /nfs/dbraw/zinc/38/68/57/309386857.db2.gz AQDZWIUJGIJJSJ-BCAXMMLOSA-N 2 2 328.378 3.419 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423130850 309387444 /nfs/dbraw/zinc/38/74/44/309387444.db2.gz SGRKUPYGDYWGQQ-XGHQBKJUSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423130850 309387445 /nfs/dbraw/zinc/38/74/45/309387445.db2.gz SGRKUPYGDYWGQQ-XGHQBKJUSA-N 3 2 338.499 3.162 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000423253211 309392335 /nfs/dbraw/zinc/39/23/35/309392335.db2.gz YQBJUKJBJAXUMC-RBUKOAKNSA-N 2 2 335.455 3.307 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C(C)C)c(Br)c1 ZINC000423321147 309395075 /nfs/dbraw/zinc/39/50/75/309395075.db2.gz MWBYZAXPIRUCOU-CVEARBPZSA-N 2 2 341.293 3.482 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cncc(C)c2)cc1 ZINC000423337444 309395908 /nfs/dbraw/zinc/39/59/08/309395908.db2.gz QZOKJBBTFKKQKZ-XPGWFJOJSA-N 2 2 325.456 3.195 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000423344001 309396170 /nfs/dbraw/zinc/39/61/70/309396170.db2.gz WOSGOUJNLAPLMY-ZDUSSCGKSA-N 2 2 349.500 3.014 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423363507 309397195 /nfs/dbraw/zinc/39/71/95/309397195.db2.gz JFSMJKICQQIUNO-ZUEVXXBESA-N 2 2 331.410 3.465 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423367740 309397412 /nfs/dbraw/zinc/39/74/12/309397412.db2.gz AMSCQNZCGVSSNN-BXUZGUMPSA-N 2 2 327.266 3.250 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc(OC)c1OC ZINC000423382973 309398046 /nfs/dbraw/zinc/39/80/46/309398046.db2.gz IZKOCVFATIVERE-DYVFJYSZSA-N 2 2 336.476 3.141 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000423401338 309398824 /nfs/dbraw/zinc/39/88/24/309398824.db2.gz XEFRHFORWYCYGN-XUJVJEKNSA-N 2 2 333.867 3.020 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423419186 309399386 /nfs/dbraw/zinc/39/93/86/309399386.db2.gz IIALULNIWPBVBN-SUMWQHHRSA-N 2 2 326.868 3.158 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cs2)c(OC)c1 ZINC000424332044 309439361 /nfs/dbraw/zinc/43/93/61/309439361.db2.gz KKKMEYFAGNEQIH-HZPDHXFCSA-N 2 2 347.484 3.187 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000427856503 309537200 /nfs/dbraw/zinc/53/72/00/309537200.db2.gz GFRZKNNOZAQGQG-CMPLNLGQSA-N 2 2 325.334 3.289 20 0 EGADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC([NH3+])CC1 ZINC000430672409 309614542 /nfs/dbraw/zinc/61/45/42/309614542.db2.gz ZSMGQQMPDVKOAA-SNVBAGLBSA-N 2 2 340.349 3.240 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCSCc3ccccc3)CC2)c1 ZINC000430742839 309616624 /nfs/dbraw/zinc/61/66/24/309616624.db2.gz NRIRZOOTVGCITJ-UHFFFAOYSA-N 2 2 343.496 3.146 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431412211 309632288 /nfs/dbraw/zinc/63/22/88/309632288.db2.gz FGWVTVMYHQHKJV-UHFFFAOYSA-N 2 2 329.423 3.388 20 0 EGADLP CC(C)c1nc(N(C)[C@H](C)C[NH+]2CCOCC2)cc(C(C)(C)C)[nH+]1 ZINC000432928724 309673370 /nfs/dbraw/zinc/67/33/70/309673370.db2.gz OEEJSUOUKNSZAQ-OAHLLOKOSA-N 2 2 334.508 3.054 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)[nH]n1 ZINC000440619815 309852919 /nfs/dbraw/zinc/85/29/19/309852919.db2.gz CKPMRGPOPFMRIY-UHFFFAOYSA-N 2 2 330.398 3.173 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000447532119 309981024 /nfs/dbraw/zinc/98/10/24/309981024.db2.gz SEGXIKQRIJROIM-KRWDZBQOSA-N 3 2 342.487 3.154 20 0 EGADLP c1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)cc[nH+]1 ZINC000449051940 310033314 /nfs/dbraw/zinc/03/33/14/310033314.db2.gz YIKDNCVBFLBLNN-SFHVURJKSA-N 2 2 340.423 3.286 20 0 EGADLP c1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)cc[nH+]1 ZINC000449051940 310033315 /nfs/dbraw/zinc/03/33/15/310033315.db2.gz YIKDNCVBFLBLNN-SFHVURJKSA-N 2 2 340.423 3.286 20 0 EGADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n(C2CCCC2)n1 ZINC000449087278 310036020 /nfs/dbraw/zinc/03/60/20/310036020.db2.gz FMNUTGSBXIJUCW-UHFFFAOYSA-N 2 2 339.487 3.147 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CSC[C@H]2C)CCOCC1)c1ccccc1 ZINC000449153905 310040849 /nfs/dbraw/zinc/04/08/49/310040849.db2.gz GGJWVGJULMUDDG-RYRKJORJSA-N 2 2 334.529 3.228 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224712 310045920 /nfs/dbraw/zinc/04/59/20/310045920.db2.gz IPVMVANEYINLHN-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224712 310045921 /nfs/dbraw/zinc/04/59/21/310045921.db2.gz IPVMVANEYINLHN-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224712 310045922 /nfs/dbraw/zinc/04/59/22/310045922.db2.gz IPVMVANEYINLHN-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)[C@H]2C1 ZINC000449224712 310045923 /nfs/dbraw/zinc/04/59/23/310045923.db2.gz IPVMVANEYINLHN-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388233 310058266 /nfs/dbraw/zinc/05/82/66/310058266.db2.gz ORNZURSSDOMSHN-PBHICJAKSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388233 310058267 /nfs/dbraw/zinc/05/82/67/310058267.db2.gz ORNZURSSDOMSHN-PBHICJAKSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395149 310058608 /nfs/dbraw/zinc/05/86/08/310058608.db2.gz ICELGRAJMRMFGY-UONOGXRCSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395149 310058609 /nfs/dbraw/zinc/05/86/09/310058609.db2.gz ICELGRAJMRMFGY-UONOGXRCSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398462 310058943 /nfs/dbraw/zinc/05/89/43/310058943.db2.gz VAVZPKLMOGZPQI-LMPOIIKSSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398462 310058944 /nfs/dbraw/zinc/05/89/44/310058944.db2.gz VAVZPKLMOGZPQI-LMPOIIKSSA-N 2 2 336.442 3.180 20 0 EGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OC ZINC000449400727 310058996 /nfs/dbraw/zinc/05/89/96/310058996.db2.gz CSWCTNZVUPJPHM-UKRRQHHQSA-N 2 2 325.522 3.060 20 0 EGADLP CC[C@@H](C)[C@@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)OC ZINC000449400727 310058997 /nfs/dbraw/zinc/05/89/97/310058997.db2.gz CSWCTNZVUPJPHM-UKRRQHHQSA-N 2 2 325.522 3.060 20 0 EGADLP CC[C@](C)(C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)OC ZINC000449479129 310065442 /nfs/dbraw/zinc/06/54/42/310065442.db2.gz UKAYDYOLVFSHHZ-OAHLLOKOSA-N 2 2 340.265 3.310 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000449522754 310068962 /nfs/dbraw/zinc/06/89/62/310068962.db2.gz KFRLHYBMUFAADQ-MGPUTAFESA-N 2 2 329.488 3.388 20 0 EGADLP C[N@H+](Cc1cccc2c[nH]nc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449787052 310087278 /nfs/dbraw/zinc/08/72/78/310087278.db2.gz SDUAIXHNKLCTBP-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP C[N@@H+](Cc1cccc2c[nH]nc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449787052 310087279 /nfs/dbraw/zinc/08/72/79/310087279.db2.gz SDUAIXHNKLCTBP-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000449819065 310089006 /nfs/dbraw/zinc/08/90/06/310089006.db2.gz HDQHUOBLRBMWBL-KRWDZBQOSA-N 2 2 337.552 3.124 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450363269 310117957 /nfs/dbraw/zinc/11/79/57/310117957.db2.gz KAGVOLXOXYVROO-MSOLQXFVSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@@H](CC(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450363269 310117958 /nfs/dbraw/zinc/11/79/58/310117958.db2.gz KAGVOLXOXYVROO-MSOLQXFVSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450532704 310128633 /nfs/dbraw/zinc/12/86/33/310128633.db2.gz XRANEAXGUWRUJU-CHWSQXEVSA-N 2 2 349.837 3.327 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)[nH]1 ZINC000450570341 310130689 /nfs/dbraw/zinc/13/06/89/310130689.db2.gz PVERNBKZAFPZAZ-SFHVURJKSA-N 2 2 335.455 3.229 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)[nH]1 ZINC000450570341 310130690 /nfs/dbraw/zinc/13/06/90/310130690.db2.gz PVERNBKZAFPZAZ-SFHVURJKSA-N 2 2 335.455 3.229 20 0 EGADLP CCc1nc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc(C)[nH+]1 ZINC000450952680 310151811 /nfs/dbraw/zinc/15/18/11/310151811.db2.gz VEQQOSUEDUPXIR-UHFFFAOYSA-N 2 2 330.398 3.200 20 0 EGADLP C[N@H+](CC[NH2+][C@H](CCO)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000451028457 310156352 /nfs/dbraw/zinc/15/63/52/310156352.db2.gz JEPMEEGJKGKJOI-LJQANCHMSA-N 2 2 332.875 3.485 20 0 EGADLP C[N@@H+](CC[NH2+][C@H](CCO)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000451028457 310156353 /nfs/dbraw/zinc/15/63/53/310156353.db2.gz JEPMEEGJKGKJOI-LJQANCHMSA-N 2 2 332.875 3.485 20 0 EGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000452091513 310211686 /nfs/dbraw/zinc/21/16/86/310211686.db2.gz CBABKIBSLXWLAC-HNNXBMFYSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000453060967 310255016 /nfs/dbraw/zinc/25/50/16/310255016.db2.gz KLESPLPRNPHHTK-SFHVURJKSA-N 2 2 338.499 3.442 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1 ZINC000453062378 310255278 /nfs/dbraw/zinc/25/52/78/310255278.db2.gz DOCZQVLZKBLDKM-NRFANRHFSA-N 2 2 338.499 3.335 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453075175 310256080 /nfs/dbraw/zinc/25/60/80/310256080.db2.gz GVMQGAXQWYJJAN-PWRODBHTSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453075175 310256081 /nfs/dbraw/zinc/25/60/81/310256081.db2.gz GVMQGAXQWYJJAN-PWRODBHTSA-N 3 2 327.516 3.113 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)Cc1cnccn1)c1cccc(OC)c1 ZINC000453087326 310257106 /nfs/dbraw/zinc/25/71/06/310257106.db2.gz YVWVHKXHQYDDHI-OXJNMPFZSA-N 2 2 342.487 3.089 20 0 EGADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1 ZINC000453171387 310262161 /nfs/dbraw/zinc/26/21/61/310262161.db2.gz JFIVCPAPFLYWGZ-QZTJIDSGSA-N 2 2 325.460 3.180 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCO1 ZINC000453196667 310263569 /nfs/dbraw/zinc/26/35/69/310263569.db2.gz DXKMMFGQMSSQDV-BPQIPLTHSA-N 2 2 345.874 3.231 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCS2 ZINC000453257959 310267125 /nfs/dbraw/zinc/26/71/25/310267125.db2.gz HIVPXQOHKFMZRG-AEFFLSMTSA-N 2 2 334.529 3.277 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCS2 ZINC000453257959 310267126 /nfs/dbraw/zinc/26/71/26/310267126.db2.gz HIVPXQOHKFMZRG-AEFFLSMTSA-N 2 2 334.529 3.277 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2ccccc12 ZINC000453261574 310267623 /nfs/dbraw/zinc/26/76/23/310267623.db2.gz RXOXAHDCUPMNLR-IAGOWNOFSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)c2ccccc12 ZINC000453261574 310267624 /nfs/dbraw/zinc/26/76/24/310267624.db2.gz RXOXAHDCUPMNLR-IAGOWNOFSA-N 2 2 342.483 3.346 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273170 310268424 /nfs/dbraw/zinc/26/84/24/310268424.db2.gz VLDVWESXWUEVPX-LAUBAEHRSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273170 310268425 /nfs/dbraw/zinc/26/84/25/310268425.db2.gz VLDVWESXWUEVPX-LAUBAEHRSA-N 2 2 339.483 3.246 20 0 EGADLP COC(C)(C)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453323942 310271099 /nfs/dbraw/zinc/27/10/99/310271099.db2.gz KEUYBMKSYQYXRV-HNNXBMFYSA-N 2 2 347.503 3.013 20 0 EGADLP c1cncc(C[NH+]2CCC([N@@H+]3CCC[C@@]4(CCSC4)C3)CC2)c1 ZINC000453343032 310271957 /nfs/dbraw/zinc/27/19/57/310271957.db2.gz DEEXKAGHWIQXAO-LJQANCHMSA-N 2 2 331.529 3.265 20 0 EGADLP c1cncc(C[NH+]2CCC([N@H+]3CCC[C@@]4(CCSC4)C3)CC2)c1 ZINC000453343032 310271958 /nfs/dbraw/zinc/27/19/58/310271958.db2.gz DEEXKAGHWIQXAO-LJQANCHMSA-N 2 2 331.529 3.265 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453441626 310277412 /nfs/dbraw/zinc/27/74/12/310277412.db2.gz WXYJJKUTHNQJGF-AOIWGVFYSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453441626 310277413 /nfs/dbraw/zinc/27/74/13/310277413.db2.gz WXYJJKUTHNQJGF-AOIWGVFYSA-N 2 2 331.504 3.087 20 0 EGADLP Cc1ccc2[nH+]cc(CNc3[nH+]c4cccc(Cl)c4n3C)n2c1 ZINC000466628013 310656263 /nfs/dbraw/zinc/65/62/63/310656263.db2.gz MVDKOFSMYOUAMM-UHFFFAOYSA-N 2 2 325.803 3.217 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C[NH+](C)C ZINC000491590327 311185894 /nfs/dbraw/zinc/18/58/94/311185894.db2.gz ZBZMOKAAACVNPP-WMLDXEAASA-N 2 2 340.895 3.185 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000492271270 311232096 /nfs/dbraw/zinc/23/20/96/311232096.db2.gz FYKTXYYOYZTGPF-QXMHVHEDSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccn1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000493281324 311353445 /nfs/dbraw/zinc/35/34/45/311353445.db2.gz PAKALKMOHSDSOF-GOSISDBHSA-N 3 2 344.547 3.271 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c[nH+]c12 ZINC000496014487 311647970 /nfs/dbraw/zinc/64/79/70/311647970.db2.gz LMKBCLBXWDFCIL-HNNXBMFYSA-N 2 2 346.475 3.426 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482400 312050581 /nfs/dbraw/zinc/05/05/81/312050581.db2.gz SWVHKYYNMSHUQD-OALUTQOASA-N 2 2 349.563 3.412 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482400 312050582 /nfs/dbraw/zinc/05/05/82/312050582.db2.gz SWVHKYYNMSHUQD-OALUTQOASA-N 2 2 349.563 3.412 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482400 312050584 /nfs/dbraw/zinc/05/05/84/312050584.db2.gz SWVHKYYNMSHUQD-OALUTQOASA-N 2 2 349.563 3.412 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482400 312050586 /nfs/dbraw/zinc/05/05/86/312050586.db2.gz SWVHKYYNMSHUQD-OALUTQOASA-N 2 2 349.563 3.412 20 0 EGADLP CS[C@H]1CCCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509007363 312107107 /nfs/dbraw/zinc/10/71/07/312107107.db2.gz GKRJLVQFDKKDRG-FQEVSTJZSA-N 2 2 347.572 3.416 20 0 EGADLP CS[C@H]1CCCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509007363 312107110 /nfs/dbraw/zinc/10/71/10/312107110.db2.gz GKRJLVQFDKKDRG-FQEVSTJZSA-N 2 2 347.572 3.416 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190567 /nfs/dbraw/zinc/19/05/67/312190567.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190568 /nfs/dbraw/zinc/19/05/68/312190568.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190571 /nfs/dbraw/zinc/19/05/71/312190571.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625250 312190572 /nfs/dbraw/zinc/19/05/72/312190572.db2.gz MMQHPPWQKMKLLG-PCCBWWKXSA-N 3 2 329.532 3.217 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@@H](c4ccncc4)C3)c2)c[nH+]1 ZINC000515459005 312283598 /nfs/dbraw/zinc/28/35/98/312283598.db2.gz ZTDMPZHDPYATIF-MAUKXSAKSA-N 2 2 340.452 3.339 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000516257650 312317972 /nfs/dbraw/zinc/31/79/72/312317972.db2.gz CCUASRLVOOTNNH-IBGZPJMESA-N 2 2 332.488 3.115 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000516296170 312319253 /nfs/dbraw/zinc/31/92/53/312319253.db2.gz FEXXINXDKOVZHE-RYUDHWBXSA-N 2 2 333.819 3.383 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000516643391 312335064 /nfs/dbraw/zinc/33/50/64/312335064.db2.gz FTVPKCLSDIMATL-XKGZKEIXSA-N 2 2 337.467 3.057 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000516965513 312354958 /nfs/dbraw/zinc/35/49/58/312354958.db2.gz YSENVSRNEPIWAG-UZLBHIALSA-N 2 2 344.474 3.448 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000517587335 312385245 /nfs/dbraw/zinc/38/52/45/312385245.db2.gz CHGCAPZQDOJPEP-FQEVSTJZSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000517587335 312385247 /nfs/dbraw/zinc/38/52/47/312385247.db2.gz CHGCAPZQDOJPEP-FQEVSTJZSA-N 2 2 344.499 3.162 20 0 EGADLP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000518195193 312407678 /nfs/dbraw/zinc/40/76/78/312407678.db2.gz VNGQPGZPHFFKFD-BXUZGUMPSA-N 2 2 331.803 3.464 20 0 EGADLP CCCCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000520955793 312525566 /nfs/dbraw/zinc/52/55/66/312525566.db2.gz SXZSLGZXNOKLAC-QZTJIDSGSA-N 2 2 334.504 3.454 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000087790524 454088760 /nfs/dbraw/zinc/08/87/60/454088760.db2.gz OHPYZSDANMRLHR-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000087790524 454088763 /nfs/dbraw/zinc/08/87/63/454088763.db2.gz OHPYZSDANMRLHR-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528189784 313036033 /nfs/dbraw/zinc/03/60/33/313036033.db2.gz OOKRPPACLXJVOC-UHFFFAOYSA-N 2 2 325.456 3.234 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396161 313082850 /nfs/dbraw/zinc/08/28/50/313082850.db2.gz OFICJHCZVLPWSZ-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396161 313082853 /nfs/dbraw/zinc/08/28/53/313082853.db2.gz OFICJHCZVLPWSZ-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396161 313082857 /nfs/dbraw/zinc/08/28/57/313082857.db2.gz OFICJHCZVLPWSZ-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396161 313082860 /nfs/dbraw/zinc/08/28/60/313082860.db2.gz OFICJHCZVLPWSZ-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP Cc1ccc2sc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)nc2c1 ZINC000528426435 313091275 /nfs/dbraw/zinc/09/12/75/313091275.db2.gz ZXWXVEBYXYLJAH-UHFFFAOYSA-N 2 2 346.544 3.063 20 0 EGADLP Cc1ccc2sc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)nc2c1 ZINC000528426435 313091278 /nfs/dbraw/zinc/09/12/78/313091278.db2.gz ZXWXVEBYXYLJAH-UHFFFAOYSA-N 2 2 346.544 3.063 20 0 EGADLP Cc1ccc2sc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)nc2c1 ZINC000528426435 313091281 /nfs/dbraw/zinc/09/12/81/313091281.db2.gz ZXWXVEBYXYLJAH-UHFFFAOYSA-N 2 2 346.544 3.063 20 0 EGADLP Cc1ccc2sc(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)nc2c1 ZINC000528426435 313091283 /nfs/dbraw/zinc/09/12/83/313091283.db2.gz ZXWXVEBYXYLJAH-UHFFFAOYSA-N 2 2 346.544 3.063 20 0 EGADLP CC(C)Oc1cccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528727420 313157803 /nfs/dbraw/zinc/15/78/03/313157803.db2.gz LTGMRNMLZIYFHT-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1[nH]c(CN2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)[nH+]c1C ZINC000529641635 313376775 /nfs/dbraw/zinc/37/67/75/313376775.db2.gz OGLLAWCYANVDJF-IBGZPJMESA-N 2 2 326.488 3.369 20 0 EGADLP COc1ccc2oc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)cc2c1 ZINC000529665481 313380664 /nfs/dbraw/zinc/38/06/64/313380664.db2.gz YOEVSNWLYZQZPH-UHFFFAOYSA-N 2 2 344.455 3.128 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC(F)F ZINC000530218899 313499720 /nfs/dbraw/zinc/49/97/20/313499720.db2.gz JXVDKJNBODLRKL-NHYWBVRUSA-N 2 2 326.387 3.232 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000070149678 454167073 /nfs/dbraw/zinc/16/70/73/454167073.db2.gz QQOSYTBVNAGQLJ-LBPRGKRZSA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000070149678 454167078 /nfs/dbraw/zinc/16/70/78/454167078.db2.gz QQOSYTBVNAGQLJ-LBPRGKRZSA-N 2 2 330.259 3.135 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000532276200 313778141 /nfs/dbraw/zinc/77/81/41/313778141.db2.gz NXAMAISNYSRNJW-GOSISDBHSA-N 2 2 327.472 3.480 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000535080017 314024469 /nfs/dbraw/zinc/02/44/69/314024469.db2.gz LOOGIABPUYYIOB-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000535764347 314070201 /nfs/dbraw/zinc/07/02/01/314070201.db2.gz VGSFVXUVTONPNR-IUODEOHRSA-N 2 2 333.819 3.348 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000535764347 314070205 /nfs/dbraw/zinc/07/02/05/314070205.db2.gz VGSFVXUVTONPNR-IUODEOHRSA-N 2 2 333.819 3.348 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000535964584 314085915 /nfs/dbraw/zinc/08/59/15/314085915.db2.gz TXAGPQZEPJJKLS-MSOLQXFVSA-N 2 2 343.471 3.005 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000535964584 314085918 /nfs/dbraw/zinc/08/59/18/314085918.db2.gz TXAGPQZEPJJKLS-MSOLQXFVSA-N 2 2 343.471 3.005 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O[C@@H](C)C2 ZINC000536695276 314139267 /nfs/dbraw/zinc/13/92/67/314139267.db2.gz XCINLJPUWUEICP-IRXDYDNUSA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O[C@@H](C)C2 ZINC000536695276 314139269 /nfs/dbraw/zinc/13/92/69/314139269.db2.gz XCINLJPUWUEICP-IRXDYDNUSA-N 2 2 344.499 3.326 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000536883570 314152121 /nfs/dbraw/zinc/15/21/21/314152121.db2.gz WUEZYGXLHMWNJN-QHAWAJNXSA-N 2 2 330.516 3.474 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000536883570 314152123 /nfs/dbraw/zinc/15/21/23/314152123.db2.gz WUEZYGXLHMWNJN-QHAWAJNXSA-N 2 2 330.516 3.474 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904063 315061597 /nfs/dbraw/zinc/06/15/97/315061597.db2.gz LCYQGQAPGZQNKL-MRXNPFEDSA-N 2 2 339.439 3.478 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904063 315061600 /nfs/dbraw/zinc/06/16/00/315061600.db2.gz LCYQGQAPGZQNKL-MRXNPFEDSA-N 2 2 339.439 3.478 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000549754880 315103471 /nfs/dbraw/zinc/10/34/71/315103471.db2.gz SKWQZFHFXCEHGW-RCCFBDPRSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000549754880 315103473 /nfs/dbraw/zinc/10/34/73/315103473.db2.gz SKWQZFHFXCEHGW-RCCFBDPRSA-N 2 2 336.520 3.495 20 0 EGADLP Cc1ccccc1C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000551542011 315157902 /nfs/dbraw/zinc/15/79/02/315157902.db2.gz UWXITSSJTHXDOJ-LVCYWYKZSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1ccccc1C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000551542011 315157903 /nfs/dbraw/zinc/15/79/03/315157903.db2.gz UWXITSSJTHXDOJ-LVCYWYKZSA-N 2 2 330.516 3.405 20 0 EGADLP COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000551750346 315166448 /nfs/dbraw/zinc/16/64/48/315166448.db2.gz YWKPDYRCNPEIDS-SFHVURJKSA-N 2 2 336.451 3.092 20 0 EGADLP COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000551750346 315166451 /nfs/dbraw/zinc/16/64/51/315166451.db2.gz YWKPDYRCNPEIDS-SFHVURJKSA-N 2 2 336.451 3.092 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098653 315197872 /nfs/dbraw/zinc/19/78/72/315197872.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098653 315197874 /nfs/dbraw/zinc/19/78/74/315197874.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098653 315197877 /nfs/dbraw/zinc/19/78/77/315197877.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098653 315197879 /nfs/dbraw/zinc/19/78/79/315197879.db2.gz KQNYLTFASRUXID-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000552197077 315205116 /nfs/dbraw/zinc/20/51/16/315205116.db2.gz YZISIMNSFSIANH-UHFFFAOYSA-N 2 2 335.407 3.281 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000552197077 315205118 /nfs/dbraw/zinc/20/51/18/315205118.db2.gz YZISIMNSFSIANH-UHFFFAOYSA-N 2 2 335.407 3.281 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000552282859 315211071 /nfs/dbraw/zinc/21/10/71/315211071.db2.gz PWYNAWNXXHPFMI-QUCCMNQESA-N 2 2 348.450 3.175 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000552553226 315224807 /nfs/dbraw/zinc/22/48/07/315224807.db2.gz HUIMQKVRPAUSGI-KRWDZBQOSA-N 2 2 348.878 3.011 20 0 EGADLP c1nc(N2CC[NH+](CC3CCCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000554224988 315303691 /nfs/dbraw/zinc/30/36/91/315303691.db2.gz QDFVYYBIGCJHAV-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697709 315397809 /nfs/dbraw/zinc/39/78/09/315397809.db2.gz UHZDYPYOLQFPMK-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697709 315397811 /nfs/dbraw/zinc/39/78/11/315397811.db2.gz UHZDYPYOLQFPMK-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697709 315397813 /nfs/dbraw/zinc/39/78/13/315397813.db2.gz UHZDYPYOLQFPMK-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697709 315397815 /nfs/dbraw/zinc/39/78/15/315397815.db2.gz UHZDYPYOLQFPMK-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP COc1ccc(C[C@H]([NH2+]CC[NH+](C)C)c2ccc(OC)cc2)cc1 ZINC000559981809 315652736 /nfs/dbraw/zinc/65/27/36/315652736.db2.gz SUIZMFUOVUOVMB-FQEVSTJZSA-N 2 2 328.456 3.139 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)CCc3ccco3)c2cc1C ZINC000560913048 315731023 /nfs/dbraw/zinc/73/10/23/315731023.db2.gz FUCSJSCRYAVNAC-SJORKVTESA-N 2 2 341.455 3.218 20 0 EGADLP C[NH+](C)C1(C[NH2+]C2CCC3(CCCO3)CC2)Cc2ccccc2C1 ZINC000563581957 316041364 /nfs/dbraw/zinc/04/13/64/316041364.db2.gz RMQTYZDFOQJTQO-UHFFFAOYSA-N 2 2 328.500 3.167 20 0 EGADLP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000563656154 316052117 /nfs/dbraw/zinc/05/21/17/316052117.db2.gz LZRHTGSYAXTTLP-FXAWDEMLSA-N 2 2 340.467 3.333 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894123 316086661 /nfs/dbraw/zinc/08/66/61/316086661.db2.gz GZXFAUJUPZFQCX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894123 316086663 /nfs/dbraw/zinc/08/66/63/316086663.db2.gz GZXFAUJUPZFQCX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894123 316086666 /nfs/dbraw/zinc/08/66/66/316086666.db2.gz GZXFAUJUPZFQCX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894123 316086672 /nfs/dbraw/zinc/08/66/72/316086672.db2.gz GZXFAUJUPZFQCX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)[NH+](C)C)cc1 ZINC000564846357 316216527 /nfs/dbraw/zinc/21/65/27/316216527.db2.gz MCEZUQAGILJNCT-LEWJYISDSA-N 2 2 326.484 3.181 20 0 EGADLP O=C(CC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)Nc1cccc(Cl)c1 ZINC000564863158 316221273 /nfs/dbraw/zinc/22/12/73/316221273.db2.gz FPUWJSPTJUFVGX-QGZVFWFLSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)Nc1cccc(Cl)c1 ZINC000564863158 316221277 /nfs/dbraw/zinc/22/12/77/316221277.db2.gz FPUWJSPTJUFVGX-QGZVFWFLSA-N 2 2 335.879 3.275 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2n1C ZINC000565191862 316287876 /nfs/dbraw/zinc/28/78/76/316287876.db2.gz WPKZCTLCAWYQOD-QGZVFWFLSA-N 2 2 348.450 3.342 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2n1C ZINC000565191862 316287879 /nfs/dbraw/zinc/28/78/79/316287879.db2.gz WPKZCTLCAWYQOD-QGZVFWFLSA-N 2 2 348.450 3.342 20 0 EGADLP CCCNC(=O)CCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000565900487 316386123 /nfs/dbraw/zinc/38/61/23/316386123.db2.gz YUSNSZIFBDIOKM-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP CCCNC(=O)CCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000565900487 316386126 /nfs/dbraw/zinc/38/61/26/316386126.db2.gz YUSNSZIFBDIOKM-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Cn1cc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2(C)C)cn1 ZINC000565930261 316389110 /nfs/dbraw/zinc/38/91/10/316389110.db2.gz LKXIKAWAWGEIAR-LJQANCHMSA-N 2 2 335.455 3.231 20 0 EGADLP Cn1cc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2(C)C)cn1 ZINC000565930261 316389113 /nfs/dbraw/zinc/38/91/13/316389113.db2.gz LKXIKAWAWGEIAR-LJQANCHMSA-N 2 2 335.455 3.231 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000566438849 316476951 /nfs/dbraw/zinc/47/69/51/316476951.db2.gz UGFSKQDRSCJJGE-HOCLYGCPSA-N 2 2 346.862 3.072 20 0 EGADLP Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)c(C)[nH+]1 ZINC000568162300 316732167 /nfs/dbraw/zinc/73/21/67/316732167.db2.gz UOGGABJFRZPEBU-JKSUJKDBSA-N 2 2 329.831 3.294 20 0 EGADLP Cc1cccc(C)c1OCCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000570237100 317026280 /nfs/dbraw/zinc/02/62/80/317026280.db2.gz ZEDYALMXMVEQSJ-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000570817770 317113482 /nfs/dbraw/zinc/11/34/82/317113482.db2.gz VLNDQWNYZYNLFT-LMCOJAPRSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000570817770 317113484 /nfs/dbraw/zinc/11/34/84/317113484.db2.gz VLNDQWNYZYNLFT-LMCOJAPRSA-N 2 2 344.499 3.361 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000571194286 317164431 /nfs/dbraw/zinc/16/44/31/317164431.db2.gz WGRXFDNCXNBJLO-SQNIBIBYSA-N 2 2 341.842 3.180 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000571230514 317169191 /nfs/dbraw/zinc/16/91/91/317169191.db2.gz ZFUBLKJCKBCUCH-VQTJNVASSA-N 2 2 328.504 3.363 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000271676416 455719895 /nfs/dbraw/zinc/71/98/95/455719895.db2.gz IWBXCIFAKOYDAP-WMLDXEAASA-N 2 2 342.314 3.280 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674347 455827508 /nfs/dbraw/zinc/82/75/08/455827508.db2.gz QKDQRZDNSQHWCV-CABCVRRESA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1Br ZINC000234968852 456150453 /nfs/dbraw/zinc/15/04/53/456150453.db2.gz HBWRMUZTTTXWPQ-WCQYABFASA-N 2 2 327.266 3.250 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178879310 323361445 /nfs/dbraw/zinc/36/14/45/323361445.db2.gz QOKCGGIMPKSWJT-WDSOQIARSA-N 2 2 337.552 3.074 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178879310 323361451 /nfs/dbraw/zinc/36/14/51/323361451.db2.gz QOKCGGIMPKSWJT-WDSOQIARSA-N 2 2 337.552 3.074 20 0 EGADLP c1cn(Cc2ccc(-c3nc(CC45CCC[NH+]4CCC5)no3)cc2)c[nH+]1 ZINC000351249162 324209704 /nfs/dbraw/zinc/20/97/04/324209704.db2.gz XXPLZAIQYDCSPO-UHFFFAOYSA-N 2 2 349.438 3.152 20 0 EGADLP CCCC[C@@H](C(=O)OC)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332928 324256296 /nfs/dbraw/zinc/25/62/96/324256296.db2.gz OCFAQZDSYFPNCB-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332928 324256300 /nfs/dbraw/zinc/25/63/00/324256300.db2.gz OCFAQZDSYFPNCB-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@@H](C(=O)OC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383332928 324256303 /nfs/dbraw/zinc/25/63/03/324256303.db2.gz OCFAQZDSYFPNCB-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@@H](C(=O)OC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383332928 324256306 /nfs/dbraw/zinc/25/63/06/324256306.db2.gz OCFAQZDSYFPNCB-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389860068 324280857 /nfs/dbraw/zinc/28/08/57/324280857.db2.gz FZNDHJATUZKIQC-BEFAXECRSA-N 2 2 328.431 3.444 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389860068 324280859 /nfs/dbraw/zinc/28/08/59/324280859.db2.gz FZNDHJATUZKIQC-BEFAXECRSA-N 2 2 328.431 3.444 20 0 EGADLP Fc1cccc(Br)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000394926459 324292126 /nfs/dbraw/zinc/29/21/26/324292126.db2.gz FPPNYUMYDXXFAE-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCC[NH+]1C ZINC000397985290 324294768 /nfs/dbraw/zinc/29/47/68/324294768.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCC[NH+]1C ZINC000397985290 324294771 /nfs/dbraw/zinc/29/47/71/324294771.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000397985290 324294774 /nfs/dbraw/zinc/29/47/74/324294774.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000397985290 324294778 /nfs/dbraw/zinc/29/47/78/324294778.db2.gz ODTYVCMIDANMRG-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2nc(-c3ccccc3)c(C)s2)n1C ZINC000578523725 324982256 /nfs/dbraw/zinc/98/22/56/324982256.db2.gz NZMSFNOVJREAPP-UHFFFAOYSA-N 2 2 326.469 3.493 20 0 EGADLP COCc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000578825327 325022673 /nfs/dbraw/zinc/02/26/73/325022673.db2.gz VYSXNMKCOTZCDT-CQSZACIVSA-N 2 2 331.435 3.084 20 0 EGADLP COCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000578825327 325022677 /nfs/dbraw/zinc/02/26/77/325022677.db2.gz VYSXNMKCOTZCDT-CQSZACIVSA-N 2 2 331.435 3.084 20 0 EGADLP COCC[NH2+]C1CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000579113429 325064955 /nfs/dbraw/zinc/06/49/55/325064955.db2.gz CFHGWQQYEUZJJB-UHFFFAOYSA-N 2 2 337.533 3.391 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1c1ccccc1 ZINC000579328302 325094857 /nfs/dbraw/zinc/09/48/57/325094857.db2.gz VVHIQOQUQYLHJP-HOTGVXAUSA-N 2 2 327.476 3.027 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@H]1c1ccccc1 ZINC000579328302 325094860 /nfs/dbraw/zinc/09/48/60/325094860.db2.gz VVHIQOQUQYLHJP-HOTGVXAUSA-N 2 2 327.476 3.027 20 0 EGADLP Cn1c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000581479256 325364899 /nfs/dbraw/zinc/36/48/99/325364899.db2.gz MYYOTONSZVZHLG-INIZCTEOSA-N 2 2 347.894 3.133 20 0 EGADLP Cc1nc(-c2ccc(C[NH2+]Cc3c[nH+]c(N(C)C)n3C)cc2)cs1 ZINC000583071617 325492587 /nfs/dbraw/zinc/49/25/87/325492587.db2.gz AXFPPDMARXVORI-UHFFFAOYSA-N 2 2 341.484 3.208 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000339055384 456918823 /nfs/dbraw/zinc/91/88/23/456918823.db2.gz GFSHETXUEZRXRD-AWEZNQCLSA-N 2 2 331.382 3.038 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCC(C)(C)C ZINC000341806680 456952368 /nfs/dbraw/zinc/95/23/68/456952368.db2.gz KXROFKZXWOABOD-UHFFFAOYSA-N 2 2 325.541 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCC(C)(C)C ZINC000341806680 456952369 /nfs/dbraw/zinc/95/23/69/456952369.db2.gz KXROFKZXWOABOD-UHFFFAOYSA-N 2 2 325.541 3.077 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C2CCCCC2)n1 ZINC000183092195 455227066 /nfs/dbraw/zinc/22/70/66/455227066.db2.gz RWPWJTYNCCRJLA-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C2CCCCC2)n1 ZINC000183092195 455227068 /nfs/dbraw/zinc/22/70/68/455227068.db2.gz RWPWJTYNCCRJLA-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP CO[C@@H](C)c1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000530630358 458801552 /nfs/dbraw/zinc/80/15/52/458801552.db2.gz BBGDMDHXBAAJQH-AWEZNQCLSA-N 2 2 325.522 3.403 20 0 EGADLP CO[C@@H](C)c1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000530630358 458801561 /nfs/dbraw/zinc/80/15/61/458801561.db2.gz BBGDMDHXBAAJQH-AWEZNQCLSA-N 2 2 325.522 3.403 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000157898828 455246672 /nfs/dbraw/zinc/24/66/72/455246672.db2.gz WJLOGHPXZAICGQ-IBGZPJMESA-N 3 2 344.547 3.290 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000157898828 455246669 /nfs/dbraw/zinc/24/66/69/455246669.db2.gz WJLOGHPXZAICGQ-IBGZPJMESA-N 3 2 344.547 3.290 20 0 EGADLP O[C@H](C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1)c1ccco1 ZINC000183185511 455245858 /nfs/dbraw/zinc/24/58/58/455245858.db2.gz DYKXFNMHGVLTMD-GOSISDBHSA-N 2 2 325.412 3.102 20 0 EGADLP O[C@H](C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1)c1ccco1 ZINC000183185511 455245863 /nfs/dbraw/zinc/24/58/63/455245863.db2.gz DYKXFNMHGVLTMD-GOSISDBHSA-N 2 2 325.412 3.102 20 0 EGADLP [NH3+][C@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000158167189 455275389 /nfs/dbraw/zinc/27/53/89/455275389.db2.gz MMQWNKQOKZMGOM-ZDUSSCGKSA-N 2 2 331.803 3.091 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891438 460591007 /nfs/dbraw/zinc/59/10/07/460591007.db2.gz ZXKFYOCXNYVOJS-MLGOLLRUSA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891438 460591009 /nfs/dbraw/zinc/59/10/09/460591009.db2.gz ZXKFYOCXNYVOJS-MLGOLLRUSA-N 2 2 339.277 3.032 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567754 453888912 /nfs/dbraw/zinc/88/89/12/453888912.db2.gz JUEIQNKQXDGEMM-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567754 453888914 /nfs/dbraw/zinc/88/89/14/453888914.db2.gz JUEIQNKQXDGEMM-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567754 453888917 /nfs/dbraw/zinc/88/89/17/453888917.db2.gz JUEIQNKQXDGEMM-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000081567754 453888920 /nfs/dbraw/zinc/88/89/20/453888920.db2.gz JUEIQNKQXDGEMM-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000081604324 453895094 /nfs/dbraw/zinc/89/50/94/453895094.db2.gz BQTMPXABYUBWBO-GOSISDBHSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000081604324 453895095 /nfs/dbraw/zinc/89/50/95/453895095.db2.gz BQTMPXABYUBWBO-GOSISDBHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635902 453899369 /nfs/dbraw/zinc/89/93/69/453899369.db2.gz XMXTXWLJOAZZEP-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081635902 453899370 /nfs/dbraw/zinc/89/93/70/453899370.db2.gz XMXTXWLJOAZZEP-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081635902 453899372 /nfs/dbraw/zinc/89/93/72/453899372.db2.gz XMXTXWLJOAZZEP-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635902 453899373 /nfs/dbraw/zinc/89/93/73/453899373.db2.gz XMXTXWLJOAZZEP-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000037256204 453934125 /nfs/dbraw/zinc/93/41/25/453934125.db2.gz SRSDFMOLGQNLDP-OAHLLOKOSA-N 2 2 339.277 3.347 20 0 EGADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)n1 ZINC000067645027 453952448 /nfs/dbraw/zinc/95/24/48/453952448.db2.gz KFORLKOLNSBHIA-UHFFFAOYSA-N 2 2 349.360 3.268 20 0 EGADLP CCCc1nc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)no1 ZINC000076108494 453964641 /nfs/dbraw/zinc/96/46/41/453964641.db2.gz QPIKIJWFDYYFBO-UHFFFAOYSA-N 2 2 343.475 3.156 20 0 EGADLP CCCc1nc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)no1 ZINC000076108494 453964644 /nfs/dbraw/zinc/96/46/44/453964644.db2.gz QPIKIJWFDYYFBO-UHFFFAOYSA-N 2 2 343.475 3.156 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000084544263 453996934 /nfs/dbraw/zinc/99/69/34/453996934.db2.gz KEPAMRZRJMWBLA-UHFFFAOYSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000076898753 454047374 /nfs/dbraw/zinc/04/73/74/454047374.db2.gz QBQAEEVALIYGBH-QGZVFWFLSA-N 2 2 332.488 3.208 20 0 EGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000190933853 455408243 /nfs/dbraw/zinc/40/82/43/455408243.db2.gz OPLNWKTUXNHHJE-IBGZPJMESA-N 2 2 326.440 3.279 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000190901724 455401530 /nfs/dbraw/zinc/40/15/30/455401530.db2.gz USHJSENVIUPTPR-LJQANCHMSA-N 2 2 326.488 3.239 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686988 454114624 /nfs/dbraw/zinc/11/46/24/454114624.db2.gz XPIYVKMQFVQZBV-PWSUYJOCSA-N 2 2 327.241 3.476 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686988 454114627 /nfs/dbraw/zinc/11/46/27/454114627.db2.gz XPIYVKMQFVQZBV-PWSUYJOCSA-N 2 2 327.241 3.476 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000088728376 454117558 /nfs/dbraw/zinc/11/75/58/454117558.db2.gz BKCMVFWNDZAFKZ-MNEFBYGVSA-N 2 2 330.497 3.066 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000088728376 454117561 /nfs/dbraw/zinc/11/75/61/454117561.db2.gz BKCMVFWNDZAFKZ-MNEFBYGVSA-N 2 2 330.497 3.066 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058119305 454164047 /nfs/dbraw/zinc/16/40/47/454164047.db2.gz UJJRLIQYFVELEQ-UHFFFAOYSA-N 2 2 347.422 3.115 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1Br ZINC000070534362 454169513 /nfs/dbraw/zinc/16/95/13/454169513.db2.gz YVVPKFAIFLKATK-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1Br ZINC000070534362 454169518 /nfs/dbraw/zinc/16/95/18/454169518.db2.gz YVVPKFAIFLKATK-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2C1 ZINC000095450318 454214598 /nfs/dbraw/zinc/21/45/98/454214598.db2.gz WWLVPVDJCJKUBK-HNNXBMFYSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2C1 ZINC000095450318 454214605 /nfs/dbraw/zinc/21/46/05/454214605.db2.gz WWLVPVDJCJKUBK-HNNXBMFYSA-N 2 2 338.455 3.056 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000071799207 454221124 /nfs/dbraw/zinc/22/11/24/454221124.db2.gz XGBBIBXGZOVWGH-UHFFFAOYSA-N 2 2 345.468 3.113 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(CO)o1 ZINC000089930205 454237738 /nfs/dbraw/zinc/23/77/38/454237738.db2.gz KXWCDPPZRXKRHR-HOTGVXAUSA-N 2 2 328.456 3.018 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000120345029 454289103 /nfs/dbraw/zinc/28/91/03/454289103.db2.gz WUNGJLFXYXIWHQ-OAHLLOKOSA-N 2 2 330.457 3.410 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132206812 454321081 /nfs/dbraw/zinc/32/10/81/454321081.db2.gz OOQKTHOAMASEGI-OAQYLSRUSA-N 2 2 349.478 3.321 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860950 454353295 /nfs/dbraw/zinc/35/32/95/454353295.db2.gz PXXYHVBYJSBMPV-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860950 454353297 /nfs/dbraw/zinc/35/32/97/454353297.db2.gz PXXYHVBYJSBMPV-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860950 454353304 /nfs/dbraw/zinc/35/33/04/454353304.db2.gz PXXYHVBYJSBMPV-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860950 454353307 /nfs/dbraw/zinc/35/33/07/454353307.db2.gz PXXYHVBYJSBMPV-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133102338 454392816 /nfs/dbraw/zinc/39/28/16/454392816.db2.gz SBQYMYXLYIDBSF-JXFKEZNVSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133102338 454392821 /nfs/dbraw/zinc/39/28/21/454392821.db2.gz SBQYMYXLYIDBSF-JXFKEZNVSA-N 2 2 343.446 3.100 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000133218962 454402623 /nfs/dbraw/zinc/40/26/23/454402623.db2.gz XQGRSGPUWQWWAF-KRWDZBQOSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000133218962 454402625 /nfs/dbraw/zinc/40/26/25/454402625.db2.gz XQGRSGPUWQWWAF-KRWDZBQOSA-N 2 2 325.456 3.187 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337054 454429095 /nfs/dbraw/zinc/42/90/95/454429095.db2.gz HJDKTGPPMSOHRE-IRXDYDNUSA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337054 454429096 /nfs/dbraw/zinc/42/90/96/454429096.db2.gz HJDKTGPPMSOHRE-IRXDYDNUSA-N 2 2 343.437 3.238 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(c3nc(N)c4ccccc4[nH+]3)C2)CC1 ZINC000091476285 454438652 /nfs/dbraw/zinc/43/86/52/454438652.db2.gz QZQOVGLYMBSLBU-INIZCTEOSA-N 2 2 339.487 3.160 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(c3nc(N)c4ccccc4[nH+]3)C2)CC1 ZINC000091476290 454439322 /nfs/dbraw/zinc/43/93/22/454439322.db2.gz QZQOVGLYMBSLBU-MRXNPFEDSA-N 2 2 339.487 3.160 20 0 EGADLP Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000079601663 454447809 /nfs/dbraw/zinc/44/78/09/454447809.db2.gz XDYGNHJKBODXAM-MRXNPFEDSA-N 2 2 325.460 3.187 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066169 454512690 /nfs/dbraw/zinc/51/26/90/454512690.db2.gz OSNYJVBMACIMNG-VQIMIIECSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066169 454512695 /nfs/dbraw/zinc/51/26/95/454512695.db2.gz OSNYJVBMACIMNG-VQIMIIECSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066169 454512699 /nfs/dbraw/zinc/51/26/99/454512699.db2.gz OSNYJVBMACIMNG-VQIMIIECSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000092066169 454512704 /nfs/dbraw/zinc/51/27/04/454512704.db2.gz OSNYJVBMACIMNG-VQIMIIECSA-N 2 2 342.483 3.297 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246220750 455451634 /nfs/dbraw/zinc/45/16/34/455451634.db2.gz PZOUFTMJNTXMDE-HNAYVOBHSA-N 2 2 326.488 3.121 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246220750 455451636 /nfs/dbraw/zinc/45/16/36/455451636.db2.gz PZOUFTMJNTXMDE-HNAYVOBHSA-N 2 2 326.488 3.121 20 0 EGADLP CS[C@H]1CCCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000134546325 454558710 /nfs/dbraw/zinc/55/87/10/454558710.db2.gz AXDXGQMXTKRTIC-IRXDYDNUSA-N 2 2 347.528 3.232 20 0 EGADLP CS[C@H]1CCCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000134546325 454558713 /nfs/dbraw/zinc/55/87/13/454558713.db2.gz AXDXGQMXTKRTIC-IRXDYDNUSA-N 2 2 347.528 3.232 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000134870586 454601004 /nfs/dbraw/zinc/60/10/04/454601004.db2.gz ALNDVSXXWGYFDJ-CXAGYDPISA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000134870586 454601008 /nfs/dbraw/zinc/60/10/08/454601008.db2.gz ALNDVSXXWGYFDJ-CXAGYDPISA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)oc2c1 ZINC000134870586 454601014 /nfs/dbraw/zinc/60/10/14/454601014.db2.gz ALNDVSXXWGYFDJ-CXAGYDPISA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)oc2c1 ZINC000134870586 454601020 /nfs/dbraw/zinc/60/10/20/454601020.db2.gz ALNDVSXXWGYFDJ-CXAGYDPISA-N 2 2 329.419 3.416 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]([C@@H](C)C3CC3)C3CC3)c2cc1C ZINC000051881918 454639556 /nfs/dbraw/zinc/63/95/56/454639556.db2.gz ZCKVFCGMZDWYSH-MAUKXSAKSA-N 2 2 327.472 3.277 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]([C@@H](C)C3CC3)C3CC3)c2cc1C ZINC000051881918 454639561 /nfs/dbraw/zinc/63/95/61/454639561.db2.gz ZCKVFCGMZDWYSH-MAUKXSAKSA-N 2 2 327.472 3.277 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000080961129 454659348 /nfs/dbraw/zinc/65/93/48/454659348.db2.gz ADWQTEUIRAEMCA-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000080961129 454659352 /nfs/dbraw/zinc/65/93/52/454659352.db2.gz ADWQTEUIRAEMCA-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(C4CC4)n3)CC2)C[C@H](C)O1 ZINC000135345287 454666424 /nfs/dbraw/zinc/66/64/24/454666424.db2.gz QTOMEKVNYNXQEU-GASCZTMLSA-N 2 2 349.544 3.342 20 0 EGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(C4CC4)n3)CC2)C[C@H](C)O1 ZINC000135345287 454666432 /nfs/dbraw/zinc/66/64/32/454666432.db2.gz QTOMEKVNYNXQEU-GASCZTMLSA-N 2 2 349.544 3.342 20 0 EGADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)[NH+](C)C ZINC000152624854 454702559 /nfs/dbraw/zinc/70/25/59/454702559.db2.gz ONUNYGKJKKSMJT-CQSZACIVSA-N 2 2 339.911 3.007 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)co2)cc1 ZINC000124268543 454711928 /nfs/dbraw/zinc/71/19/28/454711928.db2.gz MUNZWJYIESHVAA-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)co2)cc1 ZINC000124268543 454711931 /nfs/dbraw/zinc/71/19/31/454711931.db2.gz MUNZWJYIESHVAA-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124272691 454712883 /nfs/dbraw/zinc/71/28/83/454712883.db2.gz NSKSZNWFUOYYRR-MRXNPFEDSA-N 2 2 328.460 3.357 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124272691 454712887 /nfs/dbraw/zinc/71/28/87/454712887.db2.gz NSKSZNWFUOYYRR-MRXNPFEDSA-N 2 2 328.460 3.357 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283825 454722467 /nfs/dbraw/zinc/72/24/67/454722467.db2.gz BJQGUAZSSPCYPN-INIZCTEOSA-N 2 2 329.492 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283825 454722472 /nfs/dbraw/zinc/72/24/72/454722472.db2.gz BJQGUAZSSPCYPN-INIZCTEOSA-N 2 2 329.492 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283825 454722475 /nfs/dbraw/zinc/72/24/75/454722475.db2.gz BJQGUAZSSPCYPN-INIZCTEOSA-N 2 2 329.492 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000176283825 454722479 /nfs/dbraw/zinc/72/24/79/454722479.db2.gz BJQGUAZSSPCYPN-INIZCTEOSA-N 2 2 329.492 3.176 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000162247420 454761531 /nfs/dbraw/zinc/76/15/31/454761531.db2.gz WMUUJCDBYSALDQ-LFPIHBKWSA-N 2 2 341.480 3.433 20 0 EGADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)C[NH+]1CCOCC1 ZINC000153189958 454768474 /nfs/dbraw/zinc/76/84/74/454768474.db2.gz OJCIZUXACHOLIR-YDHLFZDLSA-N 2 2 326.531 3.231 20 0 EGADLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2csc(C)n2)CC1 ZINC000125053738 454793387 /nfs/dbraw/zinc/79/33/87/454793387.db2.gz ZENNAHQMPXYCMW-UHFFFAOYSA-N 2 2 344.528 3.225 20 0 EGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2csc(C)n2)CC1 ZINC000125053738 454793391 /nfs/dbraw/zinc/79/33/91/454793391.db2.gz ZENNAHQMPXYCMW-UHFFFAOYSA-N 2 2 344.528 3.225 20 0 EGADLP Cc1cc(N2CCC(Nc3cc[nH+]c(C(C)C)n3)CC2)nc(C)[nH+]1 ZINC000176951853 454803402 /nfs/dbraw/zinc/80/34/02/454803402.db2.gz YCULHMMHUNICPT-UHFFFAOYSA-N 2 2 326.448 3.088 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139974082 454813649 /nfs/dbraw/zinc/81/36/49/454813649.db2.gz DBKWOGKEKRQZDR-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139974082 454813653 /nfs/dbraw/zinc/81/36/53/454813653.db2.gz DBKWOGKEKRQZDR-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139974082 454813656 /nfs/dbraw/zinc/81/36/56/454813656.db2.gz DBKWOGKEKRQZDR-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139974082 454813659 /nfs/dbraw/zinc/81/36/59/454813659.db2.gz DBKWOGKEKRQZDR-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793829 454836973 /nfs/dbraw/zinc/83/69/73/454836973.db2.gz GNVOMBGMSWDEJA-GFCCVEGCSA-N 2 2 329.429 3.393 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000126295600 454883485 /nfs/dbraw/zinc/88/34/85/454883485.db2.gz PBMHWRSSLMJMEK-CQSZACIVSA-N 2 2 349.438 3.385 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164756852 454889039 /nfs/dbraw/zinc/88/90/39/454889039.db2.gz XWGIYZPRVBICGF-YWZLYKJASA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164756852 454889041 /nfs/dbraw/zinc/88/90/41/454889041.db2.gz XWGIYZPRVBICGF-YWZLYKJASA-N 2 2 345.437 3.403 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150774643 454890613 /nfs/dbraw/zinc/89/06/13/454890613.db2.gz FQLJGJHZTCRBJZ-MRXNPFEDSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150774643 454890614 /nfs/dbraw/zinc/89/06/14/454890614.db2.gz FQLJGJHZTCRBJZ-MRXNPFEDSA-N 2 2 341.455 3.268 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177674356 454891225 /nfs/dbraw/zinc/89/12/25/454891225.db2.gz MXFJDNXTZQFXMI-UHFFFAOYSA-N 2 2 340.467 3.367 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177674356 454891227 /nfs/dbraw/zinc/89/12/27/454891227.db2.gz MXFJDNXTZQFXMI-UHFFFAOYSA-N 2 2 340.467 3.367 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165387456 454899736 /nfs/dbraw/zinc/89/97/36/454899736.db2.gz KRALUYSXENHSKR-INIZCTEOSA-N 2 2 349.494 3.027 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000126754068 454916538 /nfs/dbraw/zinc/91/65/38/454916538.db2.gz UIHVKVNZBPQCSY-QGZVFWFLSA-N 2 2 341.499 3.440 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000126754068 454916543 /nfs/dbraw/zinc/91/65/43/454916543.db2.gz UIHVKVNZBPQCSY-QGZVFWFLSA-N 2 2 341.499 3.440 20 0 EGADLP CC[N@@H+]1CCC[C@@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000113247085 454919488 /nfs/dbraw/zinc/91/94/88/454919488.db2.gz IEYIURZJBWMBFE-INIZCTEOSA-N 2 2 325.460 3.299 20 0 EGADLP CC[N@H+]1CCC[C@@H](CNc2nc(-c3ccncc3)[nH+]c(C)c2C)C1 ZINC000113247085 454919491 /nfs/dbraw/zinc/91/94/91/454919491.db2.gz IEYIURZJBWMBFE-INIZCTEOSA-N 2 2 325.460 3.299 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1OC(F)F ZINC000168636033 454927172 /nfs/dbraw/zinc/92/71/72/454927172.db2.gz XVFAFNTUCNKQLI-GXTWGEPZSA-N 2 2 328.403 3.117 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1OC(F)F ZINC000168636033 454927178 /nfs/dbraw/zinc/92/71/78/454927178.db2.gz XVFAFNTUCNKQLI-GXTWGEPZSA-N 2 2 328.403 3.117 20 0 EGADLP C[NH+](C)Cc1ccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)cc1 ZINC000267015577 455492595 /nfs/dbraw/zinc/49/25/95/455492595.db2.gz ATVXSIXLPDILLJ-UHFFFAOYSA-N 2 2 347.422 3.460 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000178327944 454948800 /nfs/dbraw/zinc/94/88/00/454948800.db2.gz DOKQJLHNYJZVJE-DOTOQJQBSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000178327944 454948803 /nfs/dbraw/zinc/94/88/03/454948803.db2.gz DOKQJLHNYJZVJE-DOTOQJQBSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000127914820 455009231 /nfs/dbraw/zinc/00/92/31/455009231.db2.gz XLOIHQGEMJVBKB-FQEVSTJZSA-N 2 2 332.488 3.207 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)nc1 ZINC000179108059 455009392 /nfs/dbraw/zinc/00/93/92/455009392.db2.gz HMPZGIXIHWAHIQ-HNNXBMFYSA-N 2 2 345.874 3.418 20 0 EGADLP Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000115384162 455013061 /nfs/dbraw/zinc/01/30/61/455013061.db2.gz MJRGUBDUDXXORT-MRXNPFEDSA-N 2 2 325.412 3.006 20 0 EGADLP Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000115384162 455013062 /nfs/dbraw/zinc/01/30/62/455013062.db2.gz MJRGUBDUDXXORT-MRXNPFEDSA-N 2 2 325.412 3.006 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000267116453 455503803 /nfs/dbraw/zinc/50/38/03/455503803.db2.gz NQSODJMSBDILTN-QGZVFWFLSA-N 2 2 342.487 3.181 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000267116453 455503810 /nfs/dbraw/zinc/50/38/10/455503810.db2.gz NQSODJMSBDILTN-QGZVFWFLSA-N 2 2 342.487 3.181 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000128543830 455065966 /nfs/dbraw/zinc/06/59/66/455065966.db2.gz CMTQRTRPEJJADB-KGLIPLIRSA-N 2 2 342.409 3.366 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156418634 455116120 /nfs/dbraw/zinc/11/61/20/455116120.db2.gz DTBAFVXAXYMFBB-KEYYUXOJSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156418634 455116123 /nfs/dbraw/zinc/11/61/23/455116123.db2.gz DTBAFVXAXYMFBB-KEYYUXOJSA-N 2 2 346.862 3.447 20 0 EGADLP CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000156538405 455129848 /nfs/dbraw/zinc/12/98/48/455129848.db2.gz NZFCQQCAPMFIEW-INIZCTEOSA-N 2 2 348.450 3.473 20 0 EGADLP CCn1nccc1C[N@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100189 455132231 /nfs/dbraw/zinc/13/22/31/455132231.db2.gz GLTUSVGVDXKJBH-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1nccc1C[N@@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180100189 455132236 /nfs/dbraw/zinc/13/22/36/455132236.db2.gz GLTUSVGVDXKJBH-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1nccc1C[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180100189 455132240 /nfs/dbraw/zinc/13/22/40/455132240.db2.gz GLTUSVGVDXKJBH-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1nccc1C[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180100189 455132242 /nfs/dbraw/zinc/13/22/42/455132242.db2.gz GLTUSVGVDXKJBH-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156737555 455147827 /nfs/dbraw/zinc/14/78/27/455147827.db2.gz IEAAXOIORSFUHO-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000156737555 455147829 /nfs/dbraw/zinc/14/78/29/455147829.db2.gz IEAAXOIORSFUHO-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182808968 455169193 /nfs/dbraw/zinc/16/91/93/455169193.db2.gz VJWFNMPOASIHJK-OALUTQOASA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182808968 455169196 /nfs/dbraw/zinc/16/91/96/455169196.db2.gz VJWFNMPOASIHJK-OALUTQOASA-N 2 2 326.488 3.025 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000157306995 455182464 /nfs/dbraw/zinc/18/24/64/455182464.db2.gz XEUIMGOLNBOXNN-AABGKKOBSA-N 2 2 347.547 3.118 20 0 EGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000157306995 455182467 /nfs/dbraw/zinc/18/24/67/455182467.db2.gz XEUIMGOLNBOXNN-AABGKKOBSA-N 2 2 347.547 3.118 20 0 EGADLP COc1ccc([C@@H](C[NH2+]Cc2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000237496486 455189038 /nfs/dbraw/zinc/18/90/38/455189038.db2.gz NVBSANGETPKDOA-HXUWFJFHSA-N 2 2 326.440 3.328 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000245445449 455303424 /nfs/dbraw/zinc/30/34/24/455303424.db2.gz KKBUJAHDSKJAQY-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000245445449 455303425 /nfs/dbraw/zinc/30/34/25/455303425.db2.gz KKBUJAHDSKJAQY-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000245445449 455303426 /nfs/dbraw/zinc/30/34/26/455303426.db2.gz KKBUJAHDSKJAQY-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000245445449 455303427 /nfs/dbraw/zinc/30/34/27/455303427.db2.gz KKBUJAHDSKJAQY-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000173616274 455317125 /nfs/dbraw/zinc/31/71/25/455317125.db2.gz FEWNQILNDWAQNT-HNNXBMFYSA-N 2 2 340.471 3.024 20 0 EGADLP Brc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)s1 ZINC000190572207 455346188 /nfs/dbraw/zinc/34/61/88/455346188.db2.gz SNMXTJPKXNNWRE-CYBMUJFWSA-N 2 2 326.263 3.448 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000184383073 455375787 /nfs/dbraw/zinc/37/57/87/455375787.db2.gz NJUUYIMUXDJFBO-SFHVURJKSA-N 2 2 331.504 3.323 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000245925803 455400785 /nfs/dbraw/zinc/40/07/85/455400785.db2.gz OBVMSBJTBANUAZ-GDBMZVCRSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000245925803 455400789 /nfs/dbraw/zinc/40/07/89/455400789.db2.gz OBVMSBJTBANUAZ-GDBMZVCRSA-N 2 2 339.886 3.252 20 0 EGADLP c1cn(-c2ccc(C[N@@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)cc2)c[nH+]1 ZINC000245993342 455412120 /nfs/dbraw/zinc/41/21/20/455412120.db2.gz XHIVBWQPFWWDTD-OALUTQOASA-N 2 2 343.496 3.359 20 0 EGADLP c1cn(-c2ccc(C[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)cc2)c[nH+]1 ZINC000245993342 455412123 /nfs/dbraw/zinc/41/21/23/455412123.db2.gz XHIVBWQPFWWDTD-OALUTQOASA-N 2 2 343.496 3.359 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887298 455468419 /nfs/dbraw/zinc/46/84/19/455468419.db2.gz BVHXPMULHMASLD-UONOGXRCSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887298 455468421 /nfs/dbraw/zinc/46/84/21/455468421.db2.gz BVHXPMULHMASLD-UONOGXRCSA-N 2 2 330.407 3.064 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953126 455482050 /nfs/dbraw/zinc/48/20/50/455482050.db2.gz UTKLREAJDUORLN-CHWSQXEVSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953126 455482053 /nfs/dbraw/zinc/48/20/53/455482053.db2.gz UTKLREAJDUORLN-CHWSQXEVSA-N 2 2 332.835 3.270 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@](C)(Cc3ccccc3)[C@H](C)O)c[nH+]c12 ZINC000191715200 455513346 /nfs/dbraw/zinc/51/33/46/455513346.db2.gz VUYGLWAWHUKTRB-UWJYYQICSA-N 2 2 337.467 3.362 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000246945138 455537652 /nfs/dbraw/zinc/53/76/52/455537652.db2.gz UIPJHBKQSHEGKZ-WMLDXEAASA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000246945138 455537654 /nfs/dbraw/zinc/53/76/54/455537654.db2.gz UIPJHBKQSHEGKZ-WMLDXEAASA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000246945138 455537657 /nfs/dbraw/zinc/53/76/57/455537657.db2.gz UIPJHBKQSHEGKZ-WMLDXEAASA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000246945138 455537660 /nfs/dbraw/zinc/53/76/60/455537660.db2.gz UIPJHBKQSHEGKZ-WMLDXEAASA-N 2 2 348.512 3.292 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000182585924 455547630 /nfs/dbraw/zinc/54/76/30/455547630.db2.gz MPNDXVOHKZJCBK-LJQANCHMSA-N 2 2 327.472 3.282 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182585924 455547635 /nfs/dbraw/zinc/54/76/35/455547635.db2.gz MPNDXVOHKZJCBK-LJQANCHMSA-N 2 2 327.472 3.282 20 0 EGADLP FC(F)(F)c1cccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000182617593 455553917 /nfs/dbraw/zinc/55/39/17/455553917.db2.gz UMKZWSPJCMONJB-UHFFFAOYSA-N 2 2 338.377 3.114 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000182638335 455557991 /nfs/dbraw/zinc/55/79/91/455557991.db2.gz DIHNYMFZCNCWGG-RTBURBONSA-N 2 2 329.488 3.198 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000247124305 455562621 /nfs/dbraw/zinc/56/26/21/455562621.db2.gz DTHSVPKVSAVVJW-GTAWCEEGSA-N 2 2 346.540 3.151 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000247124305 455562622 /nfs/dbraw/zinc/56/26/22/455562622.db2.gz DTHSVPKVSAVVJW-GTAWCEEGSA-N 2 2 346.540 3.151 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350574 455591164 /nfs/dbraw/zinc/59/11/64/455591164.db2.gz PAVIMRVKXWPJLX-UYAOXDASSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350574 455591167 /nfs/dbraw/zinc/59/11/67/455591167.db2.gz PAVIMRVKXWPJLX-UYAOXDASSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350574 455591170 /nfs/dbraw/zinc/59/11/70/455591170.db2.gz PAVIMRVKXWPJLX-UYAOXDASSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350574 455591172 /nfs/dbraw/zinc/59/11/72/455591172.db2.gz PAVIMRVKXWPJLX-UYAOXDASSA-N 2 2 345.531 3.087 20 0 EGADLP C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677515 455594549 /nfs/dbraw/zinc/59/45/49/455594549.db2.gz IFKBEMVZEBKWGU-KPFFTGBYSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677515 455594551 /nfs/dbraw/zinc/59/45/51/455594551.db2.gz IFKBEMVZEBKWGU-KPFFTGBYSA-N 2 2 343.515 3.059 20 0 EGADLP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192356106 455596350 /nfs/dbraw/zinc/59/63/50/455596350.db2.gz VGILKHGYUOILAF-GOSISDBHSA-N 2 2 345.512 3.141 20 0 EGADLP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000192356106 455596356 /nfs/dbraw/zinc/59/63/56/455596356.db2.gz VGILKHGYUOILAF-GOSISDBHSA-N 2 2 345.512 3.141 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC(C)C ZINC000185724396 455605880 /nfs/dbraw/zinc/60/58/80/455605880.db2.gz WNNAMRKBAQXQFP-YRNRMSPPSA-N 2 2 332.488 3.376 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)OC(C)C ZINC000185724396 455605882 /nfs/dbraw/zinc/60/58/82/455605882.db2.gz WNNAMRKBAQXQFP-YRNRMSPPSA-N 2 2 332.488 3.376 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247500774 455613622 /nfs/dbraw/zinc/61/36/22/455613622.db2.gz LSEHLWYJIFLQMI-ICSRJNTNSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247500774 455613626 /nfs/dbraw/zinc/61/36/26/455613626.db2.gz LSEHLWYJIFLQMI-ICSRJNTNSA-N 2 2 345.531 3.308 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000192441038 455617103 /nfs/dbraw/zinc/61/71/03/455617103.db2.gz JCMGSXUURVQTBU-SOAGJPPSSA-N 2 2 344.499 3.453 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)C2 ZINC000192441582 455617169 /nfs/dbraw/zinc/61/71/69/455617169.db2.gz XLJJSKZKPJAEIC-KRWDZBQOSA-N 2 2 325.456 3.429 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247581025 455628600 /nfs/dbraw/zinc/62/86/00/455628600.db2.gz LWTYUIZNHSMQKO-XNJGSVPQSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247581025 455628603 /nfs/dbraw/zinc/62/86/03/455628603.db2.gz LWTYUIZNHSMQKO-XNJGSVPQSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCn1cc[nH+]c1 ZINC000292323830 455629009 /nfs/dbraw/zinc/62/90/09/455629009.db2.gz VYNMIVQCQWZUHV-BBRMVZONSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCn1cc[nH+]c1 ZINC000292323830 455629014 /nfs/dbraw/zinc/62/90/14/455629014.db2.gz VYNMIVQCQWZUHV-BBRMVZONSA-N 2 2 339.361 3.364 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000247741212 455642873 /nfs/dbraw/zinc/64/28/73/455642873.db2.gz NRGUOUYHCXDTNM-XMTFNYHQSA-N 2 2 346.519 3.023 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000247741212 455642877 /nfs/dbraw/zinc/64/28/77/455642877.db2.gz NRGUOUYHCXDTNM-XMTFNYHQSA-N 2 2 346.519 3.023 20 0 EGADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc2c[nH+]cn2c1 ZINC000284163611 455645795 /nfs/dbraw/zinc/64/57/95/455645795.db2.gz YCAOOBGDPDUSJK-UHFFFAOYSA-N 2 2 349.438 3.040 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000271491490 455657897 /nfs/dbraw/zinc/65/78/97/455657897.db2.gz UMFQXCRLAAFUBA-LJQANCHMSA-N 2 2 338.499 3.253 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247951611 455659327 /nfs/dbraw/zinc/65/93/27/455659327.db2.gz FBKFMNDMAWWWCO-IEBWSBKVSA-N 2 2 333.520 3.213 20 0 EGADLP CCCC(O)(CCC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247951611 455659331 /nfs/dbraw/zinc/65/93/31/455659331.db2.gz FBKFMNDMAWWWCO-IEBWSBKVSA-N 2 2 333.520 3.213 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247979325 455665347 /nfs/dbraw/zinc/66/53/47/455665347.db2.gz IEGMDEFRXBBGNY-SLFFLAALSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247979325 455665351 /nfs/dbraw/zinc/66/53/51/455665351.db2.gz IEGMDEFRXBBGNY-SLFFLAALSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247979325 455665354 /nfs/dbraw/zinc/66/53/54/455665354.db2.gz IEGMDEFRXBBGNY-SLFFLAALSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247979325 455665358 /nfs/dbraw/zinc/66/53/58/455665358.db2.gz IEGMDEFRXBBGNY-SLFFLAALSA-N 2 2 343.515 3.060 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000271676416 455719889 /nfs/dbraw/zinc/71/98/89/455719889.db2.gz IWBXCIFAKOYDAP-WMLDXEAASA-N 2 2 342.314 3.280 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774781 455754343 /nfs/dbraw/zinc/75/43/43/455754343.db2.gz KUQZXFDJKWJGLU-MRXNPFEDSA-N 2 2 330.806 3.469 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774781 455754347 /nfs/dbraw/zinc/75/43/47/455754347.db2.gz KUQZXFDJKWJGLU-MRXNPFEDSA-N 2 2 330.806 3.469 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774781 455754352 /nfs/dbraw/zinc/75/43/52/455754352.db2.gz KUQZXFDJKWJGLU-MRXNPFEDSA-N 2 2 330.806 3.469 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774781 455754356 /nfs/dbraw/zinc/75/43/56/455754356.db2.gz KUQZXFDJKWJGLU-MRXNPFEDSA-N 2 2 330.806 3.469 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000271796173 455762739 /nfs/dbraw/zinc/76/27/39/455762739.db2.gz KEWIDTFEBLCGPP-CYBMUJFWSA-N 2 2 340.414 3.033 20 0 EGADLP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271820515 455773124 /nfs/dbraw/zinc/77/31/24/455773124.db2.gz CCWHPKAAUBBTGA-INIZCTEOSA-N 2 2 340.471 3.314 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1 ZINC000250109506 455784692 /nfs/dbraw/zinc/78/46/92/455784692.db2.gz SQNAXOLVWGPVDM-IPMKNSEASA-N 2 2 334.891 3.462 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)o1 ZINC000278213566 455787538 /nfs/dbraw/zinc/78/75/38/455787538.db2.gz IFDGNINHGVMCFT-KRWDZBQOSA-N 2 2 341.499 3.495 20 0 EGADLP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000251640872 455793488 /nfs/dbraw/zinc/79/34/88/455793488.db2.gz FXVGWLDGDZBJOH-GXFFZTMASA-N 2 2 347.684 3.150 20 0 EGADLP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000251640872 455793493 /nfs/dbraw/zinc/79/34/93/455793493.db2.gz FXVGWLDGDZBJOH-GXFFZTMASA-N 2 2 347.684 3.150 20 0 EGADLP O=C(CC1CC[NH2+]CC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000269253977 455822758 /nfs/dbraw/zinc/82/27/58/455822758.db2.gz QZUSIRNPWRCQPU-UHFFFAOYSA-N 2 2 338.455 3.215 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674347 455827506 /nfs/dbraw/zinc/82/75/06/455827506.db2.gz QKDQRZDNSQHWCV-CABCVRRESA-N 2 2 339.277 3.174 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285343671 455827511 /nfs/dbraw/zinc/82/75/11/455827511.db2.gz AHCZPYWQTGRONM-DTWYCDNDSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285343671 455827517 /nfs/dbraw/zinc/82/75/17/455827517.db2.gz AHCZPYWQTGRONM-DTWYCDNDSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000285343671 455827519 /nfs/dbraw/zinc/82/75/19/455827519.db2.gz AHCZPYWQTGRONM-DTWYCDNDSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000285343671 455827522 /nfs/dbraw/zinc/82/75/22/455827522.db2.gz AHCZPYWQTGRONM-DTWYCDNDSA-N 2 2 349.906 3.074 20 0 EGADLP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000269280600 455827822 /nfs/dbraw/zinc/82/78/22/455827822.db2.gz QJWVMXVYUWNCRH-HNNXBMFYSA-N 2 2 333.819 3.240 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000285491419 455856874 /nfs/dbraw/zinc/85/68/74/455856874.db2.gz PIOYPKIEXXPDKS-UHFFFAOYSA-N 2 2 332.488 3.448 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000285523634 455863863 /nfs/dbraw/zinc/86/38/63/455863863.db2.gz RWRKCIZLLAHYFM-HNNXBMFYSA-N 2 2 347.894 3.051 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000285523634 455863864 /nfs/dbraw/zinc/86/38/64/455863864.db2.gz RWRKCIZLLAHYFM-HNNXBMFYSA-N 2 2 347.894 3.051 20 0 EGADLP Cc1ccncc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272197137 455874339 /nfs/dbraw/zinc/87/43/39/455874339.db2.gz IJRKZSFVGHWUKU-RDJZCZTQSA-N 2 2 325.460 3.098 20 0 EGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCSCC1 ZINC000187285872 455891437 /nfs/dbraw/zinc/89/14/37/455891437.db2.gz UXGJVFXIHPCZRN-QGZVFWFLSA-N 2 2 340.577 3.390 20 0 EGADLP Cc1cc(C)n(CC[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000280123797 455897405 /nfs/dbraw/zinc/89/74/05/455897405.db2.gz ACWGNYINUZHAQD-UHFFFAOYSA-N 2 2 337.471 3.495 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)C[C@H]12 ZINC000261568783 455908907 /nfs/dbraw/zinc/90/89/07/455908907.db2.gz JKMMEKAQXOKHAU-UHIISALHSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)C[C@H]12 ZINC000261568783 455908912 /nfs/dbraw/zinc/90/89/12/455908912.db2.gz JKMMEKAQXOKHAU-UHIISALHSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cncc(F)c1 ZINC000272314162 455910666 /nfs/dbraw/zinc/91/06/66/455910666.db2.gz UIKTUFUURGTIGT-CQSZACIVSA-N 2 2 343.450 3.319 20 0 EGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195026141 455915281 /nfs/dbraw/zinc/91/52/81/455915281.db2.gz ZQJGZYBVBQNTFG-IBGZPJMESA-N 2 2 335.455 3.136 20 0 EGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195026141 455915285 /nfs/dbraw/zinc/91/52/85/455915285.db2.gz ZQJGZYBVBQNTFG-IBGZPJMESA-N 2 2 335.455 3.136 20 0 EGADLP CC[N@H+](C)Cc1cccc(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195026141 455915290 /nfs/dbraw/zinc/91/52/90/455915290.db2.gz ZQJGZYBVBQNTFG-IBGZPJMESA-N 2 2 335.455 3.136 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195026141 455915295 /nfs/dbraw/zinc/91/52/95/455915295.db2.gz ZQJGZYBVBQNTFG-IBGZPJMESA-N 2 2 335.455 3.136 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000261643603 455919556 /nfs/dbraw/zinc/91/95/56/455919556.db2.gz IPAIXSABVPIEBU-PKOBYXMFSA-N 2 2 326.440 3.417 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000261643603 455919563 /nfs/dbraw/zinc/91/95/63/455919563.db2.gz IPAIXSABVPIEBU-PKOBYXMFSA-N 2 2 326.440 3.417 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000280235142 455924483 /nfs/dbraw/zinc/92/44/83/455924483.db2.gz JTKGKXCHMLQJFX-AIANPOQGSA-N 2 2 332.488 3.411 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000280235142 455924486 /nfs/dbraw/zinc/92/44/86/455924486.db2.gz JTKGKXCHMLQJFX-AIANPOQGSA-N 2 2 332.488 3.411 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000285906196 455939406 /nfs/dbraw/zinc/93/94/06/455939406.db2.gz CXVWQERVCGOBSD-UYAOXDASSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000285906196 455939413 /nfs/dbraw/zinc/93/94/13/455939413.db2.gz CXVWQERVCGOBSD-UYAOXDASSA-N 2 2 325.456 3.058 20 0 EGADLP CC[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1(C(=O)OC)CCC1 ZINC000272478962 455964304 /nfs/dbraw/zinc/96/43/04/455964304.db2.gz JBCBKAXFOMCNTM-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000270551587 455981259 /nfs/dbraw/zinc/98/12/59/455981259.db2.gz BLBJSWGCERCQPD-YLJYHZDGSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000270551587 455981264 /nfs/dbraw/zinc/98/12/64/455981264.db2.gz BLBJSWGCERCQPD-YLJYHZDGSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000270551587 455981267 /nfs/dbraw/zinc/98/12/67/455981267.db2.gz BLBJSWGCERCQPD-YLJYHZDGSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000270551587 455981274 /nfs/dbraw/zinc/98/12/74/455981274.db2.gz BLBJSWGCERCQPD-YLJYHZDGSA-N 3 2 326.488 3.176 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H]1[NH3+] ZINC000262026848 455986798 /nfs/dbraw/zinc/98/67/98/455986798.db2.gz NPRZBOXOADIMNQ-FZKQIMNGSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H]1[NH3+] ZINC000262026848 455986805 /nfs/dbraw/zinc/98/68/05/455986805.db2.gz NPRZBOXOADIMNQ-FZKQIMNGSA-N 2 2 343.858 3.371 20 0 EGADLP Cc1sc2[nH]c(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nc(=O)c2c1C ZINC000270670862 456011619 /nfs/dbraw/zinc/01/16/19/456011619.db2.gz XDJJLRIDQBMKSR-UHFFFAOYSA-N 2 2 343.456 3.116 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc(Cl)ccc1Cl ZINC000262376756 456030854 /nfs/dbraw/zinc/03/08/54/456030854.db2.gz YEKRRVKRDRGUPF-OLZOCXBDSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cc(Cl)ccc1Cl ZINC000262376756 456030859 /nfs/dbraw/zinc/03/08/59/456030859.db2.gz YEKRRVKRDRGUPF-OLZOCXBDSA-N 2 2 342.270 3.148 20 0 EGADLP C[N@H+](Cc1cccc(F)c1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188320085 456042957 /nfs/dbraw/zinc/04/29/57/456042957.db2.gz YWGSKYCQQPSTTH-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188320085 456042962 /nfs/dbraw/zinc/04/29/62/456042962.db2.gz YWGSKYCQQPSTTH-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cccc(F)c1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188320085 456042967 /nfs/dbraw/zinc/04/29/67/456042967.db2.gz YWGSKYCQQPSTTH-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cccc(F)c1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188320085 456042969 /nfs/dbraw/zinc/04/29/69/456042969.db2.gz YWGSKYCQQPSTTH-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000225255938 456075515 /nfs/dbraw/zinc/07/55/15/456075515.db2.gz ALXHHBTUILZDSD-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNc2nc(C)[nH+]c3c2CCCC3)cn1 ZINC000272815927 456077827 /nfs/dbraw/zinc/07/78/27/456077827.db2.gz DGBCMOBKUVSBOW-UHFFFAOYSA-N 2 2 334.427 3.165 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000271046578 456110416 /nfs/dbraw/zinc/11/04/16/456110416.db2.gz RMSNFKVPTNZKNN-UHFFFAOYSA-N 2 2 328.504 3.132 20 0 EGADLP CCc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301609943 456161345 /nfs/dbraw/zinc/16/13/45/456161345.db2.gz QETLZURXXHIQQB-MRXNPFEDSA-N 2 2 339.487 3.491 20 0 EGADLP CCc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301609943 456161350 /nfs/dbraw/zinc/16/13/50/456161350.db2.gz QETLZURXXHIQQB-MRXNPFEDSA-N 2 2 339.487 3.491 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000289886504 456168394 /nfs/dbraw/zinc/16/83/94/456168394.db2.gz SITSKFLQDUDPME-AWEZNQCLSA-N 2 2 349.500 3.081 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280117 456170020 /nfs/dbraw/zinc/17/00/20/456170020.db2.gz LHEUBMSPXSENEC-CKEIUWERSA-N 3 2 332.879 3.344 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280117 456170024 /nfs/dbraw/zinc/17/00/24/456170024.db2.gz LHEUBMSPXSENEC-CKEIUWERSA-N 3 2 332.879 3.344 20 0 EGADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000236719136 456174242 /nfs/dbraw/zinc/17/42/42/456174242.db2.gz MEIHSFCIIOQOFJ-WMLDXEAASA-N 2 2 337.895 3.063 20 0 EGADLP Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301659063 456176890 /nfs/dbraw/zinc/17/68/90/456176890.db2.gz TUDLAALQCRUIMR-CALCHBBNSA-N 2 2 346.519 3.234 20 0 EGADLP Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301659063 456176894 /nfs/dbraw/zinc/17/68/94/456176894.db2.gz TUDLAALQCRUIMR-CALCHBBNSA-N 2 2 346.519 3.234 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846648 456191954 /nfs/dbraw/zinc/19/19/54/456191954.db2.gz BDODHWGKHWTXJP-FXAWDEMLSA-N 2 2 339.483 3.355 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846648 456191956 /nfs/dbraw/zinc/19/19/56/456191956.db2.gz BDODHWGKHWTXJP-FXAWDEMLSA-N 2 2 339.483 3.355 20 0 EGADLP C[C@@H](CNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)N1CC[NH+](C)CC1 ZINC000301723552 456197324 /nfs/dbraw/zinc/19/73/24/456197324.db2.gz KYXLRWZJXIABGY-HNNXBMFYSA-N 2 2 347.551 3.119 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000281342118 456207195 /nfs/dbraw/zinc/20/71/95/456207195.db2.gz MAEVUGXXEGUVFK-QGZVFWFLSA-N 2 2 341.503 3.483 20 0 EGADLP CCc1cc(N2CC[NH+]([C@@H]3CCCN(C)C3)CC2)c2ccccc2[nH+]1 ZINC000301811345 456220768 /nfs/dbraw/zinc/22/07/68/456220768.db2.gz XOFUOWFQCXKFGS-GOSISDBHSA-N 2 2 338.499 3.013 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189094097 456223892 /nfs/dbraw/zinc/22/38/92/456223892.db2.gz ZGIPFLAWHNBERH-FQEVSTJZSA-N 2 2 344.499 3.210 20 0 EGADLP Cc1ccc2[nH+]c(CN[C@@H](C[NH+](C)C)c3ccc(F)cc3)cn2c1 ZINC000290083782 456236336 /nfs/dbraw/zinc/23/63/36/456236336.db2.gz JCXNTYKMKGQBEM-SFHVURJKSA-N 2 2 326.419 3.174 20 0 EGADLP Brc1cscc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000290180170 456261279 /nfs/dbraw/zinc/26/12/79/456261279.db2.gz ZBZPYXOPJHJYJR-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1cscc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000290180170 456261284 /nfs/dbraw/zinc/26/12/84/456261284.db2.gz ZBZPYXOPJHJYJR-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H]1CCC[N@H+](C)C1 ZINC000301985433 456264998 /nfs/dbraw/zinc/26/49/98/456264998.db2.gz LRKHANRZHZPHNE-CQSZACIVSA-N 2 2 327.428 3.165 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000301985433 456265004 /nfs/dbraw/zinc/26/50/04/456265004.db2.gz LRKHANRZHZPHNE-CQSZACIVSA-N 2 2 327.428 3.165 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073759 456279856 /nfs/dbraw/zinc/27/98/56/456279856.db2.gz VGPKHEBNGFXACZ-HZPDHXFCSA-N 2 2 339.487 3.303 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073759 456279858 /nfs/dbraw/zinc/27/98/58/456279858.db2.gz VGPKHEBNGFXACZ-HZPDHXFCSA-N 2 2 339.487 3.303 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275691042 456287731 /nfs/dbraw/zinc/28/77/31/456287731.db2.gz WYHNULLFDJFVOZ-IFXJQAMLSA-N 2 2 325.412 3.485 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000290317855 456289446 /nfs/dbraw/zinc/28/94/46/456289446.db2.gz JGGAEDWBSRLHTL-YQQAZPJKSA-N 2 2 345.512 3.339 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000290317855 456289452 /nfs/dbraw/zinc/28/94/52/456289452.db2.gz JGGAEDWBSRLHTL-YQQAZPJKSA-N 2 2 345.512 3.339 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccncc1Br)C[NH+]1CCCCC1 ZINC000631045086 461497644 /nfs/dbraw/zinc/49/76/44/461497644.db2.gz BXYSWQHNIIXOEE-ZDUSSCGKSA-N 2 2 326.282 3.056 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340260604 456345915 /nfs/dbraw/zinc/34/59/15/456345915.db2.gz TUNGTNJUWHIBOF-OALUTQOASA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340260604 456345924 /nfs/dbraw/zinc/34/59/24/456345924.db2.gz TUNGTNJUWHIBOF-OALUTQOASA-N 2 2 326.488 3.464 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352856174 456366692 /nfs/dbraw/zinc/36/66/92/456366692.db2.gz VYKCXGAOKDCVDU-UHFFFAOYSA-N 2 2 336.423 3.357 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000276004930 456367907 /nfs/dbraw/zinc/36/79/07/456367907.db2.gz PAFRNXGMZZOWDX-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCOCC3)Cc2ccccc2C1 ZINC000282077048 456407681 /nfs/dbraw/zinc/40/76/81/456407681.db2.gz HKEJFFCDFSGXKE-LJQANCHMSA-N 2 2 328.500 3.025 20 0 EGADLP COC(C)(C)[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000340477049 456484896 /nfs/dbraw/zinc/48/48/96/456484896.db2.gz DNPMGIQFBLFQMK-SJORKVTESA-N 2 2 334.504 3.290 20 0 EGADLP CC(C)[NH+](CCN[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000343134970 456426107 /nfs/dbraw/zinc/42/61/07/456426107.db2.gz VIWSLBKKOUEISJ-FPOVZHCZSA-N 2 2 347.547 3.157 20 0 EGADLP C[C@H](NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971596 456432228 /nfs/dbraw/zinc/43/22/28/456432228.db2.gz XYUFCUMNRNHOHF-DFQSSKMNSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@H](NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971596 456432233 /nfs/dbraw/zinc/43/22/33/456432233.db2.gz XYUFCUMNRNHOHF-DFQSSKMNSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340482030 456485681 /nfs/dbraw/zinc/48/56/81/456485681.db2.gz CLNIJIIZOLEACX-SLYNCCJLSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340482030 456485688 /nfs/dbraw/zinc/48/56/88/456485688.db2.gz CLNIJIIZOLEACX-SLYNCCJLSA-N 2 2 345.531 3.070 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000303066211 456442924 /nfs/dbraw/zinc/44/29/24/456442924.db2.gz ZSEQPDMDBGMKCL-SLFFLAALSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000303066211 456442930 /nfs/dbraw/zinc/44/29/30/456442930.db2.gz ZSEQPDMDBGMKCL-SLFFLAALSA-N 2 2 349.563 3.125 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000298438105 456456400 /nfs/dbraw/zinc/45/64/00/456456400.db2.gz NJVQSKYDOFLWNS-INIZCTEOSA-N 2 2 343.471 3.485 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000298438105 456456404 /nfs/dbraw/zinc/45/64/04/456456404.db2.gz NJVQSKYDOFLWNS-INIZCTEOSA-N 2 2 343.471 3.485 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000353083329 456478172 /nfs/dbraw/zinc/47/81/72/456478172.db2.gz RANKQWQVCTXFGZ-QFBILLFUSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000353083329 456478178 /nfs/dbraw/zinc/47/81/78/456478178.db2.gz RANKQWQVCTXFGZ-QFBILLFUSA-N 2 2 325.456 3.058 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474007 456480964 /nfs/dbraw/zinc/48/09/64/456480964.db2.gz GBKNXHPAHUONBL-SJLPKXTDSA-N 2 2 327.447 3.436 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474007 456480969 /nfs/dbraw/zinc/48/09/69/456480969.db2.gz GBKNXHPAHUONBL-SJLPKXTDSA-N 2 2 327.447 3.436 20 0 EGADLP C[C@H](CCc1ccsc1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340503260 456497104 /nfs/dbraw/zinc/49/71/04/456497104.db2.gz DIBALHOZTTUERB-UZLBHIALSA-N 2 2 344.524 3.078 20 0 EGADLP C[C@H](CCc1ccsc1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340503260 456497106 /nfs/dbraw/zinc/49/71/06/456497106.db2.gz DIBALHOZTTUERB-UZLBHIALSA-N 2 2 344.524 3.078 20 0 EGADLP Cc1c[nH+]c(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000353155574 456526544 /nfs/dbraw/zinc/52/65/44/456526544.db2.gz RBNIIJYLXGLVST-IBGZPJMESA-N 2 2 326.488 3.120 20 0 EGADLP Cc1c[nH+]c(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000353155574 456526550 /nfs/dbraw/zinc/52/65/50/456526550.db2.gz RBNIIJYLXGLVST-IBGZPJMESA-N 2 2 326.488 3.120 20 0 EGADLP Cc1cnc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000353155574 456526555 /nfs/dbraw/zinc/52/65/55/456526555.db2.gz RBNIIJYLXGLVST-IBGZPJMESA-N 2 2 326.488 3.120 20 0 EGADLP Cc1cnc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000353155574 456526561 /nfs/dbraw/zinc/52/65/61/456526561.db2.gz RBNIIJYLXGLVST-IBGZPJMESA-N 2 2 326.488 3.120 20 0 EGADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccsc1 ZINC000291104255 456528616 /nfs/dbraw/zinc/52/86/16/456528616.db2.gz RVBCYPMHQYMBFA-OAHLLOKOSA-N 2 2 349.466 3.357 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000291227392 456571916 /nfs/dbraw/zinc/57/19/16/456571916.db2.gz SWWASNYNKXBAFA-ZOBUZTSGSA-N 2 2 327.476 3.071 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000291227392 456571918 /nfs/dbraw/zinc/57/19/18/456571918.db2.gz SWWASNYNKXBAFA-ZOBUZTSGSA-N 2 2 327.476 3.071 20 0 EGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)Nc2[nH+]cnc3c2cnn3C)c(C)c1 ZINC000337886057 456587475 /nfs/dbraw/zinc/58/74/75/456587475.db2.gz XZKGJDOCQAHSBX-QGZVFWFLSA-N 2 2 347.426 3.030 20 0 EGADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343399521 456594057 /nfs/dbraw/zinc/59/40/57/456594057.db2.gz PTKMRPSRIRVCIW-KDOFPFPSSA-N 2 2 347.532 3.002 20 0 EGADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343399521 456594062 /nfs/dbraw/zinc/59/40/62/456594062.db2.gz PTKMRPSRIRVCIW-KDOFPFPSSA-N 2 2 347.532 3.002 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3OC(C)C)CC2)c1 ZINC000353269275 456600139 /nfs/dbraw/zinc/60/01/39/456600139.db2.gz TXAMYOSWCFOQFN-UHFFFAOYSA-N 2 2 341.455 3.200 20 0 EGADLP Cn1nnc2cc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000353321996 456636965 /nfs/dbraw/zinc/63/69/65/456636965.db2.gz SUZIYYHLFNFIDO-UHFFFAOYSA-N 2 2 349.482 3.065 20 0 EGADLP Cn1nnc2cc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000353321996 456636972 /nfs/dbraw/zinc/63/69/72/456636972.db2.gz SUZIYYHLFNFIDO-UHFFFAOYSA-N 2 2 349.482 3.065 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291411243 456637273 /nfs/dbraw/zinc/63/72/73/456637273.db2.gz GJZYELRFQKRGRS-UHFFFAOYSA-N 3 2 338.499 3.180 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291411243 456637286 /nfs/dbraw/zinc/63/72/86/456637286.db2.gz GJZYELRFQKRGRS-UHFFFAOYSA-N 3 2 338.499 3.180 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353323995 456638734 /nfs/dbraw/zinc/63/87/34/456638734.db2.gz SQAFNMSUROOYQI-HNNXBMFYSA-N 2 2 343.475 3.356 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353323995 456638740 /nfs/dbraw/zinc/63/87/40/456638740.db2.gz SQAFNMSUROOYQI-HNNXBMFYSA-N 2 2 343.475 3.356 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CC(=O)Nc1cccc(OC)c1 ZINC000353366098 456650365 /nfs/dbraw/zinc/65/03/65/456650365.db2.gz XHXQNFMENYFEBU-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(=O)Nc1cccc(OC)c1 ZINC000353366098 456650370 /nfs/dbraw/zinc/65/03/70/456650370.db2.gz XHXQNFMENYFEBU-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282905793 456661868 /nfs/dbraw/zinc/66/18/68/456661868.db2.gz ZHEWWWKXGPNXCY-SFHVURJKSA-N 2 2 341.503 3.048 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282905793 456661876 /nfs/dbraw/zinc/66/18/76/456661876.db2.gz ZHEWWWKXGPNXCY-SFHVURJKSA-N 2 2 341.503 3.048 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794175 456673384 /nfs/dbraw/zinc/67/33/84/456673384.db2.gz MTKQZXFDGDPJRX-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794175 456673391 /nfs/dbraw/zinc/67/33/91/456673391.db2.gz MTKQZXFDGDPJRX-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490434 456711284 /nfs/dbraw/zinc/71/12/84/456711284.db2.gz QQECYHOEHPRFEO-MAUKXSAKSA-N 2 2 332.467 3.359 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490434 456711292 /nfs/dbraw/zinc/71/12/92/456711292.db2.gz QQECYHOEHPRFEO-MAUKXSAKSA-N 2 2 332.467 3.359 20 0 EGADLP COCc1ccccc1/C=C(/C)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353499936 456718729 /nfs/dbraw/zinc/71/87/29/456718729.db2.gz FGSZFIMZMGYOAF-BOPFTXTBSA-N 2 2 348.450 3.410 20 0 EGADLP c1cn([C@@H]2CCc3ccccc3[C@@H]2[NH2+]Cc2c[nH]c3nccnc23)c[nH+]1 ZINC000291697408 456724284 /nfs/dbraw/zinc/72/42/84/456724284.db2.gz YRCVKQNZMQIXGQ-MJGOQNOKSA-N 2 2 344.422 3.173 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000338257296 456736559 /nfs/dbraw/zinc/73/65/59/456736559.db2.gz NOEGHKBLISELLT-UHFFFAOYSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000338257296 456736568 /nfs/dbraw/zinc/73/65/68/456736568.db2.gz NOEGHKBLISELLT-UHFFFAOYSA-N 2 2 345.531 3.012 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1)Cc1ccco1 ZINC000353541464 456744701 /nfs/dbraw/zinc/74/47/01/456744701.db2.gz HZMPAVLSLJKXTO-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1cccc(F)c1)Cc1ccco1 ZINC000353541464 456744705 /nfs/dbraw/zinc/74/47/05/456744705.db2.gz HZMPAVLSLJKXTO-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1cccc(F)c1 ZINC000353541464 456744708 /nfs/dbraw/zinc/74/47/08/456744708.db2.gz HZMPAVLSLJKXTO-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1cccc(F)c1 ZINC000353541464 456744711 /nfs/dbraw/zinc/74/47/11/456744711.db2.gz HZMPAVLSLJKXTO-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)CCC[N@H+](C)Cc2ccco2)c1C ZINC000353542420 456745411 /nfs/dbraw/zinc/74/54/11/456745411.db2.gz LCBCMQAFEVARBA-UHFFFAOYSA-N 2 2 331.460 3.254 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)CCC[N@@H+](C)Cc2ccco2)c1C ZINC000353542420 456745418 /nfs/dbraw/zinc/74/54/18/456745418.db2.gz LCBCMQAFEVARBA-UHFFFAOYSA-N 2 2 331.460 3.254 20 0 EGADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000277271690 456753644 /nfs/dbraw/zinc/75/36/44/456753644.db2.gz MLGJDEKNRZMONO-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP CCCN(CC[NH+]1CCCC1)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000348544439 456755095 /nfs/dbraw/zinc/75/50/95/456755095.db2.gz ATYFEKRPKZBHML-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000343628949 456756333 /nfs/dbraw/zinc/75/63/33/456756333.db2.gz ZXNXTSAKJCQWIS-MRXNPFEDSA-N 2 2 339.439 3.478 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000343628949 456756343 /nfs/dbraw/zinc/75/63/43/456756343.db2.gz ZXNXTSAKJCQWIS-MRXNPFEDSA-N 2 2 339.439 3.478 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353574012 456774691 /nfs/dbraw/zinc/77/46/91/456774691.db2.gz LVAWNXUDJXGGSC-HNNXBMFYSA-N 2 2 332.879 3.218 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000353574012 456774696 /nfs/dbraw/zinc/77/46/96/456774696.db2.gz LVAWNXUDJXGGSC-HNNXBMFYSA-N 2 2 332.879 3.218 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277398684 456810354 /nfs/dbraw/zinc/81/03/54/456810354.db2.gz JOQQVBZGZKTTBG-UHFFFAOYSA-N 2 2 325.460 3.141 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277398684 456810357 /nfs/dbraw/zinc/81/03/57/456810357.db2.gz JOQQVBZGZKTTBG-UHFFFAOYSA-N 2 2 325.460 3.141 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277398684 456810361 /nfs/dbraw/zinc/81/03/61/456810361.db2.gz JOQQVBZGZKTTBG-UHFFFAOYSA-N 2 2 325.460 3.141 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277398684 456810364 /nfs/dbraw/zinc/81/03/64/456810364.db2.gz JOQQVBZGZKTTBG-UHFFFAOYSA-N 2 2 325.460 3.141 20 0 EGADLP Cc1ccc(CCC[NH+]2CCN(c3cccc(F)c3F)CC2)c[nH+]1 ZINC000353646750 456826330 /nfs/dbraw/zinc/82/63/30/456826330.db2.gz DXIUBDXQKGGUFV-UHFFFAOYSA-N 2 2 331.410 3.423 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000353680364 456851025 /nfs/dbraw/zinc/85/10/25/456851025.db2.gz UCEBTYVFZYFJLO-HIFRSBDPSA-N 2 2 341.415 3.178 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119527 456860113 /nfs/dbraw/zinc/86/01/13/456860113.db2.gz KBAQYIZDYOXSBU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119527 456860117 /nfs/dbraw/zinc/86/01/17/456860117.db2.gz KBAQYIZDYOXSBU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119527 456860124 /nfs/dbraw/zinc/86/01/24/456860124.db2.gz KBAQYIZDYOXSBU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119527 456860128 /nfs/dbraw/zinc/86/01/28/456860128.db2.gz KBAQYIZDYOXSBU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948879 456869453 /nfs/dbraw/zinc/86/94/53/456869453.db2.gz OMDKIWALLWGRGB-MAUKXSAKSA-N 2 2 341.503 3.189 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948879 456869459 /nfs/dbraw/zinc/86/94/59/456869459.db2.gz OMDKIWALLWGRGB-MAUKXSAKSA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948879 456869464 /nfs/dbraw/zinc/86/94/64/456869464.db2.gz OMDKIWALLWGRGB-MAUKXSAKSA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948879 456869469 /nfs/dbraw/zinc/86/94/69/456869469.db2.gz OMDKIWALLWGRGB-MAUKXSAKSA-N 2 2 341.503 3.189 20 0 EGADLP COc1ccc2nc(C[NH2+]CCc3cn4ccccc4[nH+]3)sc2c1 ZINC000353735856 456879607 /nfs/dbraw/zinc/87/96/07/456879607.db2.gz INPKEWITYLIRNS-UHFFFAOYSA-N 2 2 338.436 3.285 20 0 EGADLP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ncc(Br)s3)C2)CC1 ZINC000349194167 456909950 /nfs/dbraw/zinc/90/99/50/456909950.db2.gz RGMRAZOMRATPKU-LBPRGKRZSA-N 2 2 344.322 3.069 20 0 EGADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ncc(Br)s3)C2)CC1 ZINC000349194167 456909955 /nfs/dbraw/zinc/90/99/55/456909955.db2.gz RGMRAZOMRATPKU-LBPRGKRZSA-N 2 2 344.322 3.069 20 0 EGADLP C[C@@H]1CN(C/C=C\c2ccc(F)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349272591 456927795 /nfs/dbraw/zinc/92/77/95/456927795.db2.gz ATOZUMJFJIXKRL-MJSXRHKHSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@@H]1CN(C/C=C\c2ccc(F)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349272591 456927799 /nfs/dbraw/zinc/92/77/99/456927799.db2.gz ATOZUMJFJIXKRL-MJSXRHKHSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272591 456927801 /nfs/dbraw/zinc/92/78/01/456927801.db2.gz ATOZUMJFJIXKRL-MJSXRHKHSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272591 456927803 /nfs/dbraw/zinc/92/78/03/456927803.db2.gz ATOZUMJFJIXKRL-MJSXRHKHSA-N 2 2 349.469 3.078 20 0 EGADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179301 456954535 /nfs/dbraw/zinc/95/45/35/456954535.db2.gz WLXAUPNHSZETOU-QFBILLFUSA-N 2 2 343.471 3.059 20 0 EGADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179301 456954538 /nfs/dbraw/zinc/95/45/38/456954538.db2.gz WLXAUPNHSZETOU-QFBILLFUSA-N 2 2 343.471 3.059 20 0 EGADLP Cc1ccc(-c2ccc(C[NH+]3CCN(Cc4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000353912644 456963352 /nfs/dbraw/zinc/96/33/52/456963352.db2.gz FRFQCIIAPPVPHT-UHFFFAOYSA-N 2 2 336.439 3.296 20 0 EGADLP c1cn(CCCC2CC[NH+](Cc3cccc4c3OCO4)CC2)c[nH+]1 ZINC000349418392 456965246 /nfs/dbraw/zinc/96/52/46/456965246.db2.gz NNUCVLNEIWWERJ-UHFFFAOYSA-N 2 2 327.428 3.304 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)[C@@H]1C ZINC000345305477 456973806 /nfs/dbraw/zinc/97/38/06/456973806.db2.gz QEEDZVDDDAFRQO-YDVWWWKISA-N 2 2 344.503 3.029 20 0 EGADLP COc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc(OC)c1OC ZINC000353945875 456975386 /nfs/dbraw/zinc/97/53/86/456975386.db2.gz TURGPVOTDYAKMM-UHFFFAOYSA-N 2 2 330.428 3.138 20 0 EGADLP COC[C@@H]1CCCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917176 456999541 /nfs/dbraw/zinc/99/95/41/456999541.db2.gz XNOGUMIMTRKHRY-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@@H]1CCCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917176 456999552 /nfs/dbraw/zinc/99/95/52/456999552.db2.gz XNOGUMIMTRKHRY-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@@H]1CCCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917176 456999554 /nfs/dbraw/zinc/99/95/54/456999554.db2.gz XNOGUMIMTRKHRY-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@@H]1CCCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917176 456999560 /nfs/dbraw/zinc/99/95/60/456999560.db2.gz XNOGUMIMTRKHRY-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP COC1CCC(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000349724764 457027628 /nfs/dbraw/zinc/02/76/28/457027628.db2.gz VOZHDBHWFRLTQO-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP CC[C@@H]1C[N@H+](CCNc2cc(C)[nH+]c3c(OC)cccc23)CCO1 ZINC000362680296 457041441 /nfs/dbraw/zinc/04/14/41/457041441.db2.gz IJDCINDZQJVXHH-OAHLLOKOSA-N 2 2 329.444 3.075 20 0 EGADLP CC[C@@H]1C[N@@H+](CCNc2cc(C)[nH+]c3c(OC)cccc23)CCO1 ZINC000362680296 457041448 /nfs/dbraw/zinc/04/14/48/457041448.db2.gz IJDCINDZQJVXHH-OAHLLOKOSA-N 2 2 329.444 3.075 20 0 EGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000358952860 457042624 /nfs/dbraw/zinc/04/26/24/457042624.db2.gz ZYCPRKCGRJAVOX-IBGZPJMESA-N 2 2 338.499 3.224 20 0 EGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000358952860 457042628 /nfs/dbraw/zinc/04/26/28/457042628.db2.gz ZYCPRKCGRJAVOX-IBGZPJMESA-N 2 2 338.499 3.224 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354084951 457050934 /nfs/dbraw/zinc/05/09/34/457050934.db2.gz SKJYICDEXCNEPZ-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OC ZINC000354084951 457050939 /nfs/dbraw/zinc/05/09/39/457050939.db2.gz SKJYICDEXCNEPZ-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OC ZINC000354084951 457050946 /nfs/dbraw/zinc/05/09/46/457050946.db2.gz SKJYICDEXCNEPZ-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1OC ZINC000354084951 457050949 /nfs/dbraw/zinc/05/09/49/457050949.db2.gz SKJYICDEXCNEPZ-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356577481 457064862 /nfs/dbraw/zinc/06/48/62/457064862.db2.gz NGNDZKNENWXINZ-HSALFYBXSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356577481 457064869 /nfs/dbraw/zinc/06/48/69/457064869.db2.gz NGNDZKNENWXINZ-HSALFYBXSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356577481 457064873 /nfs/dbraw/zinc/06/48/73/457064873.db2.gz NGNDZKNENWXINZ-HSALFYBXSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356577481 457064878 /nfs/dbraw/zinc/06/48/78/457064878.db2.gz NGNDZKNENWXINZ-HSALFYBXSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288692 457071929 /nfs/dbraw/zinc/07/19/29/457071929.db2.gz MRMMVJJYFLGVRE-IAISJRAMSA-N 2 2 329.444 3.445 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288692 457071938 /nfs/dbraw/zinc/07/19/38/457071938.db2.gz MRMMVJJYFLGVRE-IAISJRAMSA-N 2 2 329.444 3.445 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045781 457077178 /nfs/dbraw/zinc/07/71/78/457077178.db2.gz UVLJJJDFRKEAOG-PBHICJAKSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045781 457077184 /nfs/dbraw/zinc/07/71/84/457077184.db2.gz UVLJJJDFRKEAOG-PBHICJAKSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000359468782 457086224 /nfs/dbraw/zinc/08/62/24/457086224.db2.gz WLRULJIYNJPHJE-INMHGKMJSA-N 2 2 329.492 3.140 20 0 EGADLP CC(C)n1cc[nH+]c1CN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000342087925 457100907 /nfs/dbraw/zinc/10/09/07/457100907.db2.gz CAOSGUMKFPRVJC-OAHLLOKOSA-N 2 2 345.516 3.065 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000354164619 457102316 /nfs/dbraw/zinc/10/23/16/457102316.db2.gz PGXWWDPZUHSONW-SFHVURJKSA-N 2 2 348.487 3.011 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@@H+]1C1CC1 ZINC000346697055 457117150 /nfs/dbraw/zinc/11/71/50/457117150.db2.gz ZUVAZYVGVQWRMQ-CHWSQXEVSA-N 2 2 334.414 3.189 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@H+]1C1CC1 ZINC000346697055 457117152 /nfs/dbraw/zinc/11/71/52/457117152.db2.gz ZUVAZYVGVQWRMQ-CHWSQXEVSA-N 2 2 334.414 3.189 20 0 EGADLP CC1(C)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000342131405 457125403 /nfs/dbraw/zinc/12/54/03/457125403.db2.gz NASPWRKXJMXYLH-LJQANCHMSA-N 2 2 348.556 3.495 20 0 EGADLP CC1(C)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000342131405 457125408 /nfs/dbraw/zinc/12/54/08/457125408.db2.gz NASPWRKXJMXYLH-LJQANCHMSA-N 2 2 348.556 3.495 20 0 EGADLP CC1(C)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000342131405 457125413 /nfs/dbraw/zinc/12/54/13/457125413.db2.gz NASPWRKXJMXYLH-LJQANCHMSA-N 2 2 348.556 3.495 20 0 EGADLP CC1(C)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000342131405 457125419 /nfs/dbraw/zinc/12/54/19/457125419.db2.gz NASPWRKXJMXYLH-LJQANCHMSA-N 2 2 348.556 3.495 20 0 EGADLP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342171304 457147464 /nfs/dbraw/zinc/14/74/64/457147464.db2.gz RCFSSUWVSLJSGQ-SFHVURJKSA-N 2 2 343.515 3.119 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000359920200 457149236 /nfs/dbraw/zinc/14/92/36/457149236.db2.gz YGWRMHIKHIHRJL-SJORKVTESA-N 2 2 349.523 3.260 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000359920200 457149243 /nfs/dbraw/zinc/14/92/43/457149243.db2.gz YGWRMHIKHIHRJL-SJORKVTESA-N 2 2 349.523 3.260 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590274 457158822 /nfs/dbraw/zinc/15/88/22/457158822.db2.gz HYHVVQZGGUUEEX-QOKNQOGYSA-N 2 2 333.545 3.226 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590274 457158831 /nfs/dbraw/zinc/15/88/31/457158831.db2.gz HYHVVQZGGUUEEX-QOKNQOGYSA-N 2 2 333.545 3.226 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000350066070 457159120 /nfs/dbraw/zinc/15/91/20/457159120.db2.gz CVXPXLGSVRCUNR-PXNSSMCTSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000350066070 457159126 /nfs/dbraw/zinc/15/91/26/457159126.db2.gz CVXPXLGSVRCUNR-PXNSSMCTSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000350066070 457159132 /nfs/dbraw/zinc/15/91/32/457159132.db2.gz CVXPXLGSVRCUNR-PXNSSMCTSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000350066070 457159139 /nfs/dbraw/zinc/15/91/39/457159139.db2.gz CVXPXLGSVRCUNR-PXNSSMCTSA-N 2 2 345.531 3.012 20 0 EGADLP c1cn2c(cccc2C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[nH+]1 ZINC000354290639 457176542 /nfs/dbraw/zinc/17/65/42/457176542.db2.gz WYRJSCQWBYZSCW-UHFFFAOYSA-N 2 2 343.434 3.299 20 0 EGADLP CCN1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000359994591 457192390 /nfs/dbraw/zinc/19/23/90/457192390.db2.gz QEVOXFNAKWAXKX-GOSISDBHSA-N 2 2 339.418 3.289 20 0 EGADLP CC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@@H]1c1ncc[nH]1 ZINC000359994591 457192396 /nfs/dbraw/zinc/19/23/96/457192396.db2.gz QEVOXFNAKWAXKX-GOSISDBHSA-N 2 2 339.418 3.289 20 0 EGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@@H]1c1ncc[nH]1 ZINC000359994591 457192400 /nfs/dbraw/zinc/19/24/00/457192400.db2.gz QEVOXFNAKWAXKX-GOSISDBHSA-N 2 2 339.418 3.289 20 0 EGADLP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000347006111 457196369 /nfs/dbraw/zinc/19/63/69/457196369.db2.gz MIPBOLSORUZWDX-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000347006111 457196372 /nfs/dbraw/zinc/19/63/72/457196372.db2.gz MIPBOLSORUZWDX-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000347006111 457196376 /nfs/dbraw/zinc/19/63/76/457196376.db2.gz MIPBOLSORUZWDX-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000347006111 457196378 /nfs/dbraw/zinc/19/63/78/457196378.db2.gz MIPBOLSORUZWDX-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP CC(C)(C[NH2+]Cc1ncc(Br)s1)C[NH+]1CCCC1 ZINC000360181759 457289749 /nfs/dbraw/zinc/28/97/49/457289749.db2.gz RVQHWZVSHNZTAZ-UHFFFAOYSA-N 2 2 332.311 3.117 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000357038390 457290902 /nfs/dbraw/zinc/29/09/02/457290902.db2.gz MIVNXSASXPHKQE-KURKYZTESA-N 2 2 331.504 3.281 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000357038390 457290905 /nfs/dbraw/zinc/29/09/05/457290905.db2.gz MIVNXSASXPHKQE-KURKYZTESA-N 2 2 331.504 3.281 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]c1N1CCCC[C@H]1C ZINC000332074465 457298691 /nfs/dbraw/zinc/29/86/91/457298691.db2.gz XQVAKUHDQFUAPM-OWCLPIDISA-N 2 2 345.491 3.160 20 0 EGADLP Cc1ccncc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000347276100 457325047 /nfs/dbraw/zinc/32/50/47/457325047.db2.gz RUJKDUWPYQNCMK-MRXNPFEDSA-N 2 2 339.487 3.489 20 0 EGADLP CC(C)n1nccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352429414 457362828 /nfs/dbraw/zinc/36/28/28/457362828.db2.gz BBZGESGSWLDJBZ-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352429414 457362837 /nfs/dbraw/zinc/36/28/37/457362837.db2.gz BBZGESGSWLDJBZ-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352429414 457362839 /nfs/dbraw/zinc/36/28/39/457362839.db2.gz BBZGESGSWLDJBZ-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352429414 457362846 /nfs/dbraw/zinc/36/28/46/457362846.db2.gz BBZGESGSWLDJBZ-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP COc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000352439108 457366993 /nfs/dbraw/zinc/36/69/93/457366993.db2.gz JQBGIPCRQSOCMD-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000352439108 457366998 /nfs/dbraw/zinc/36/69/98/457366998.db2.gz JQBGIPCRQSOCMD-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000352439108 457367001 /nfs/dbraw/zinc/36/70/01/457367001.db2.gz JQBGIPCRQSOCMD-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000352439108 457367004 /nfs/dbraw/zinc/36/70/04/457367004.db2.gz JQBGIPCRQSOCMD-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447233 457373440 /nfs/dbraw/zinc/37/34/40/457373440.db2.gz JNUVTPRJWSOCAD-WDSOQIARSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447233 457373443 /nfs/dbraw/zinc/37/34/43/457373443.db2.gz JNUVTPRJWSOCAD-WDSOQIARSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447233 457373448 /nfs/dbraw/zinc/37/34/48/457373448.db2.gz JNUVTPRJWSOCAD-WDSOQIARSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447233 457373453 /nfs/dbraw/zinc/37/34/53/457373453.db2.gz JNUVTPRJWSOCAD-WDSOQIARSA-N 2 2 325.456 3.498 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccnn1-c1ccccc1 ZINC000369750499 457381951 /nfs/dbraw/zinc/38/19/51/457381951.db2.gz OKJDDOSBDBQBTB-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP C[C@@H](F)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352484473 457404470 /nfs/dbraw/zinc/40/44/70/457404470.db2.gz PULWROKZUSAFCC-GFCCVEGCSA-N 2 2 344.228 3.489 20 0 EGADLP C[C@@H](F)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352484473 457404474 /nfs/dbraw/zinc/40/44/74/457404474.db2.gz PULWROKZUSAFCC-GFCCVEGCSA-N 2 2 344.228 3.489 20 0 EGADLP COC1CC([NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448708 457435201 /nfs/dbraw/zinc/43/52/01/457435201.db2.gz YPKMCIZQCZGDOZ-WNZJFKNXSA-N 2 2 326.843 3.239 20 0 EGADLP COC1CC([NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448708 457435208 /nfs/dbraw/zinc/43/52/08/457435208.db2.gz YPKMCIZQCZGDOZ-WNZJFKNXSA-N 2 2 326.843 3.239 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](c4ccco4)C3)c2cc1C ZINC000374003371 457435353 /nfs/dbraw/zinc/43/53/53/457435353.db2.gz PNRPRCBQJDQAAT-DLBZAZTESA-N 2 2 339.439 3.097 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](c4ccco4)C3)c2cc1C ZINC000374003371 457435363 /nfs/dbraw/zinc/43/53/63/457435363.db2.gz PNRPRCBQJDQAAT-DLBZAZTESA-N 2 2 339.439 3.097 20 0 EGADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540432 457451363 /nfs/dbraw/zinc/45/13/63/457451363.db2.gz KYUKQMIMKJVXRL-HXUWFJFHSA-N 2 2 325.431 3.463 20 0 EGADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540432 457451369 /nfs/dbraw/zinc/45/13/69/457451369.db2.gz KYUKQMIMKJVXRL-HXUWFJFHSA-N 2 2 325.431 3.463 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000342700714 457464114 /nfs/dbraw/zinc/46/41/14/457464114.db2.gz JADWILHUYHXDQO-UKRRQHHQSA-N 2 2 326.444 3.089 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000356123658 457466156 /nfs/dbraw/zinc/46/61/56/457466156.db2.gz ITBYVJWHAALDKU-MNOVXSKESA-N 2 2 335.250 3.240 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230783 457476702 /nfs/dbraw/zinc/47/67/02/457476702.db2.gz VRLYTEUUSZSCPS-SESVDKBCSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230783 457476707 /nfs/dbraw/zinc/47/67/07/457476707.db2.gz VRLYTEUUSZSCPS-SESVDKBCSA-N 3 2 329.532 3.409 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000399197065 457505405 /nfs/dbraw/zinc/50/54/05/457505405.db2.gz JPUOLLBTYSVABU-GOEBONIOSA-N 2 2 331.485 3.294 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)sn1 ZINC000399197065 457505412 /nfs/dbraw/zinc/50/54/12/457505412.db2.gz JPUOLLBTYSVABU-GOEBONIOSA-N 2 2 331.485 3.294 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]2C ZINC000425365242 457520202 /nfs/dbraw/zinc/52/02/02/457520202.db2.gz YAOCOJBXKOLPOJ-KBPBESRZSA-N 2 2 328.460 3.003 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]2C ZINC000425365242 457520207 /nfs/dbraw/zinc/52/02/07/457520207.db2.gz YAOCOJBXKOLPOJ-KBPBESRZSA-N 2 2 328.460 3.003 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401047003 457523006 /nfs/dbraw/zinc/52/30/06/457523006.db2.gz RKVFDRXKUNZZRX-BURNTYAHSA-N 3 2 329.532 3.121 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401047003 457523012 /nfs/dbraw/zinc/52/30/12/457523012.db2.gz RKVFDRXKUNZZRX-BURNTYAHSA-N 3 2 329.532 3.121 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072511 457564698 /nfs/dbraw/zinc/56/46/98/457564698.db2.gz FBBMLJKICCICIF-INIZCTEOSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072512 457565009 /nfs/dbraw/zinc/56/50/09/457565009.db2.gz FBBMLJKICCICIF-MRXNPFEDSA-N 2 2 334.508 3.069 20 0 EGADLP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352735045 457568634 /nfs/dbraw/zinc/56/86/34/457568634.db2.gz GDIVFYZDRIVDCT-PXAZEXFGSA-N 2 2 337.464 3.210 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101243 457581798 /nfs/dbraw/zinc/58/17/98/457581798.db2.gz AYVATLVAMBMTAW-ZFWWWQNUSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101243 457581801 /nfs/dbraw/zinc/58/18/01/457581801.db2.gz AYVATLVAMBMTAW-ZFWWWQNUSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101243 457581808 /nfs/dbraw/zinc/58/18/08/457581808.db2.gz AYVATLVAMBMTAW-ZFWWWQNUSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101243 457581810 /nfs/dbraw/zinc/58/18/10/457581810.db2.gz AYVATLVAMBMTAW-ZFWWWQNUSA-N 2 2 328.378 3.154 20 0 EGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(-c2ccnn2C)c1 ZINC000370260234 457602367 /nfs/dbraw/zinc/60/23/67/457602367.db2.gz GXHKGHGYTKVPKC-UHFFFAOYSA-N 2 2 335.455 3.218 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2c(C)cccc2C)CC1 ZINC000361147969 457613719 /nfs/dbraw/zinc/61/37/19/457613719.db2.gz YZHFJKVUZPPCDN-QGZVFWFLSA-N 2 2 332.488 3.372 20 0 EGADLP CCCCc1noc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000410081056 457629419 /nfs/dbraw/zinc/62/94/19/457629419.db2.gz FBNCDNBWDDIXPW-OIISXLGYSA-N 2 2 328.460 3.148 20 0 EGADLP CCCCc1noc([C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000410081056 457629423 /nfs/dbraw/zinc/62/94/23/457629423.db2.gz FBNCDNBWDDIXPW-OIISXLGYSA-N 2 2 328.460 3.148 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000425931425 457654409 /nfs/dbraw/zinc/65/44/09/457654409.db2.gz LSDJYHUFHVTCLP-UXHICEINSA-N 2 2 336.479 3.417 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000425931425 457654415 /nfs/dbraw/zinc/65/44/15/457654415.db2.gz LSDJYHUFHVTCLP-UXHICEINSA-N 2 2 336.479 3.417 20 0 EGADLP COCc1cc(NCC2CC[NH+](C3CC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000357687788 457657208 /nfs/dbraw/zinc/65/72/08/457657208.db2.gz RYZILJBLVZPTHF-UHFFFAOYSA-N 2 2 343.446 3.229 20 0 EGADLP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000361273434 457674320 /nfs/dbraw/zinc/67/43/20/457674320.db2.gz OJTVMQRYDFUXON-GOSISDBHSA-N 2 2 349.906 3.253 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000361273434 457674322 /nfs/dbraw/zinc/67/43/22/457674322.db2.gz OJTVMQRYDFUXON-GOSISDBHSA-N 2 2 349.906 3.253 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+](CC)CC ZINC000361315330 457690024 /nfs/dbraw/zinc/69/00/24/457690024.db2.gz ULOLYDSREARJGW-DOTOQJQBSA-N 2 2 337.533 3.074 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000361344236 457700321 /nfs/dbraw/zinc/70/03/21/457700321.db2.gz RLKMKGSUCBJSKH-JKSUJKDBSA-N 2 2 336.549 3.273 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000361344236 457700322 /nfs/dbraw/zinc/70/03/22/457700322.db2.gz RLKMKGSUCBJSKH-JKSUJKDBSA-N 2 2 336.549 3.273 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019168 457741181 /nfs/dbraw/zinc/74/11/81/457741181.db2.gz RZUWKXQTKYUBQE-SUMWQHHRSA-N 2 2 335.879 3.131 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019168 457741183 /nfs/dbraw/zinc/74/11/83/457741183.db2.gz RZUWKXQTKYUBQE-SUMWQHHRSA-N 2 2 335.879 3.131 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358077838 457771348 /nfs/dbraw/zinc/77/13/48/457771348.db2.gz BFQMXELTWPYWKJ-DBXWQHBBSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358077838 457771357 /nfs/dbraw/zinc/77/13/57/457771357.db2.gz BFQMXELTWPYWKJ-DBXWQHBBSA-N 3 2 340.515 3.328 20 0 EGADLP CCC(CC)[C@@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1CC)[NH+]1CCCC1 ZINC000457634028 457773439 /nfs/dbraw/zinc/77/34/39/457773439.db2.gz ZKXNXOPTUVQMRV-DOTOQJQBSA-N 2 2 349.523 3.164 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144475 457812692 /nfs/dbraw/zinc/81/26/92/457812692.db2.gz WYLBPOVEZFZPNF-MAUKXSAKSA-N 2 2 325.456 3.076 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144475 457812699 /nfs/dbraw/zinc/81/26/99/457812699.db2.gz WYLBPOVEZFZPNF-MAUKXSAKSA-N 2 2 325.456 3.076 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000358155048 457819668 /nfs/dbraw/zinc/81/96/68/457819668.db2.gz OFKAKQBDWYJWME-ZIAGYGMSSA-N 2 2 341.293 3.211 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000366486589 457826735 /nfs/dbraw/zinc/82/67/35/457826735.db2.gz YFQBOOXDFMEMOZ-GOSISDBHSA-N 2 2 325.456 3.167 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000366486589 457826743 /nfs/dbraw/zinc/82/67/43/457826743.db2.gz YFQBOOXDFMEMOZ-GOSISDBHSA-N 2 2 325.456 3.167 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181144 457840372 /nfs/dbraw/zinc/84/03/72/457840372.db2.gz TZJLDNOJLXBHQM-PBHICJAKSA-N 2 2 342.512 3.210 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181144 457840379 /nfs/dbraw/zinc/84/03/79/457840379.db2.gz TZJLDNOJLXBHQM-PBHICJAKSA-N 2 2 342.512 3.210 20 0 EGADLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295523 457851608 /nfs/dbraw/zinc/85/16/08/457851608.db2.gz QJPCKVFHANVVKV-DGGJZMOXSA-N 2 2 334.529 3.014 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366900004 457909536 /nfs/dbraw/zinc/90/95/36/457909536.db2.gz JFQSZQJAZCQOOM-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366900004 457909541 /nfs/dbraw/zinc/90/95/41/457909541.db2.gz JFQSZQJAZCQOOM-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1ccnc(N)c1 ZINC000411555045 457918779 /nfs/dbraw/zinc/91/87/79/457918779.db2.gz VIEDCUCSIJPGST-IBGZPJMESA-N 2 2 338.499 3.057 20 0 EGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1ccnc(N)c1 ZINC000411555045 457918785 /nfs/dbraw/zinc/91/87/85/457918785.db2.gz VIEDCUCSIJPGST-IBGZPJMESA-N 2 2 338.499 3.057 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579617 457922523 /nfs/dbraw/zinc/92/25/23/457922523.db2.gz DWHYSJBAMFDFLV-QXAKKESOSA-N 2 2 348.535 3.083 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579617 457922526 /nfs/dbraw/zinc/92/25/26/457922526.db2.gz DWHYSJBAMFDFLV-QXAKKESOSA-N 2 2 348.535 3.083 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579617 457922531 /nfs/dbraw/zinc/92/25/31/457922531.db2.gz DWHYSJBAMFDFLV-QXAKKESOSA-N 2 2 348.535 3.083 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2CCC(C)(C)O2)[C@@H]1c1cnn(C)c1 ZINC000411579617 457922537 /nfs/dbraw/zinc/92/25/37/457922537.db2.gz DWHYSJBAMFDFLV-QXAKKESOSA-N 2 2 348.535 3.083 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)sc2C1 ZINC000433990609 457926541 /nfs/dbraw/zinc/92/65/41/457926541.db2.gz QCFTVSIRFYSLAL-IOASZLSFSA-N 2 2 346.500 3.011 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888969 457933811 /nfs/dbraw/zinc/93/38/11/457933811.db2.gz MVPQHDPDGUBFES-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888969 457933817 /nfs/dbraw/zinc/93/38/17/457933817.db2.gz MVPQHDPDGUBFES-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000358342599 457946378 /nfs/dbraw/zinc/94/63/78/457946378.db2.gz FSINHCBORKNOLI-XJKSGUPXSA-N 2 2 328.287 3.034 20 0 EGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000367398931 457953075 /nfs/dbraw/zinc/95/30/75/457953075.db2.gz BOOYACYTKILJIR-INIZCTEOSA-N 2 2 329.419 3.187 20 0 EGADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000375521024 457959277 /nfs/dbraw/zinc/95/92/77/457959277.db2.gz WNQZVXCLCVWZJK-SQGPQFPESA-N 2 2 340.471 3.043 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000375609140 457988868 /nfs/dbraw/zinc/98/88/68/457988868.db2.gz WWEPEXYKQPIZHU-IBGZPJMESA-N 2 2 348.491 3.236 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@]12CCCO2 ZINC000358572419 458083442 /nfs/dbraw/zinc/08/34/42/458083442.db2.gz PZOTUQXUALGPSU-QNDFHXLGSA-N 2 2 344.499 3.138 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@]12CCCO2 ZINC000358572419 458083449 /nfs/dbraw/zinc/08/34/49/458083449.db2.gz PZOTUQXUALGPSU-QNDFHXLGSA-N 2 2 344.499 3.138 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100120 /nfs/dbraw/zinc/10/01/20/458100120.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100126 /nfs/dbraw/zinc/10/01/26/458100126.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100134 /nfs/dbraw/zinc/10/01/34/458100134.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226318 458100140 /nfs/dbraw/zinc/10/01/40/458100140.db2.gz GXCDFSGHWNBELW-NJDAHSKKSA-N 3 2 329.532 3.219 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CC(OC(C)C)C3)CC2)c1 ZINC000428267070 458110087 /nfs/dbraw/zinc/11/00/87/458110087.db2.gz MWENGXCJDDOKRJ-UHFFFAOYSA-N 2 2 345.531 3.053 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)o1 ZINC000435376623 458126820 /nfs/dbraw/zinc/12/68/20/458126820.db2.gz SEJVYJHUCOWGHM-UHFFFAOYSA-N 2 2 336.439 3.364 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435387145 458132926 /nfs/dbraw/zinc/13/29/26/458132926.db2.gz XKMBMIQHHAXKHZ-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000435387145 458132923 /nfs/dbraw/zinc/13/29/23/458132923.db2.gz XKMBMIQHHAXKHZ-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1nc(C)c(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000435391377 458134725 /nfs/dbraw/zinc/13/47/25/458134725.db2.gz SFIJMNJBDYVXHN-KRWDZBQOSA-N 2 2 330.501 3.299 20 0 EGADLP Cc1nc(C)c(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)s1 ZINC000435391377 458134729 /nfs/dbraw/zinc/13/47/29/458134729.db2.gz SFIJMNJBDYVXHN-KRWDZBQOSA-N 2 2 330.501 3.299 20 0 EGADLP Cc1cccc2[nH+]cc(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)n21 ZINC000435395852 458135827 /nfs/dbraw/zinc/13/58/27/458135827.db2.gz VJBZDJMOSLMMSW-IBGZPJMESA-N 2 2 349.482 3.182 20 0 EGADLP CCCc1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000428419816 458138938 /nfs/dbraw/zinc/13/89/38/458138938.db2.gz GBTVVSYABRVZSV-PXNSSMCTSA-N 2 2 342.487 3.455 20 0 EGADLP CCCc1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000428419816 458138944 /nfs/dbraw/zinc/13/89/44/458138944.db2.gz GBTVVSYABRVZSV-PXNSSMCTSA-N 2 2 342.487 3.455 20 0 EGADLP CCCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000428419816 458138951 /nfs/dbraw/zinc/13/89/51/458138951.db2.gz GBTVVSYABRVZSV-PXNSSMCTSA-N 2 2 342.487 3.455 20 0 EGADLP CCCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000428419816 458138959 /nfs/dbraw/zinc/13/89/59/458138959.db2.gz GBTVVSYABRVZSV-PXNSSMCTSA-N 2 2 342.487 3.455 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000435437310 458145901 /nfs/dbraw/zinc/14/59/01/458145901.db2.gz KDYJOXZATLHXLF-INIZCTEOSA-N 2 2 331.485 3.393 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000435437310 458145909 /nfs/dbraw/zinc/14/59/09/458145909.db2.gz KDYJOXZATLHXLF-INIZCTEOSA-N 2 2 331.485 3.393 20 0 EGADLP [NH3+]C1(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCCCC1 ZINC000428486864 458157468 /nfs/dbraw/zinc/15/74/68/458157468.db2.gz XXSAYKUUKHXMMR-UHFFFAOYSA-N 2 2 325.412 3.265 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626370 458176654 /nfs/dbraw/zinc/17/66/54/458176654.db2.gz ODVIHWXUJRYCHR-SJLPKXTDSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626370 458176658 /nfs/dbraw/zinc/17/66/58/458176658.db2.gz ODVIHWXUJRYCHR-SJLPKXTDSA-N 2 2 339.483 3.091 20 0 EGADLP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000372059567 458177106 /nfs/dbraw/zinc/17/71/06/458177106.db2.gz HELSXCOJYFBPSA-SAABIXHNSA-N 2 2 336.907 3.445 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000412406409 458194507 /nfs/dbraw/zinc/19/45/07/458194507.db2.gz YEXSUSURHNXPHI-CJNGLKHVSA-N 2 2 346.475 3.003 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753991 458194619 /nfs/dbraw/zinc/19/46/19/458194619.db2.gz MNRBPJPRFBDSMI-QZTJIDSGSA-N 2 2 327.476 3.138 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753991 458194627 /nfs/dbraw/zinc/19/46/27/458194627.db2.gz MNRBPJPRFBDSMI-QZTJIDSGSA-N 2 2 327.476 3.138 20 0 EGADLP CCn1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c2ccccc21 ZINC000372124011 458200302 /nfs/dbraw/zinc/20/03/02/458200302.db2.gz HONQEHAPAWZTAN-MRXNPFEDSA-N 2 2 337.471 3.244 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000435997658 458233796 /nfs/dbraw/zinc/23/37/96/458233796.db2.gz UGZITZFGEXECKA-KRWDZBQOSA-N 2 2 332.492 3.077 20 0 EGADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027450 458260568 /nfs/dbraw/zinc/26/05/68/458260568.db2.gz ZRMMAUPSUJPKOT-OPYAIIAOSA-N 2 2 338.499 3.094 20 0 EGADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027450 458260574 /nfs/dbraw/zinc/26/05/74/458260574.db2.gz ZRMMAUPSUJPKOT-OPYAIIAOSA-N 2 2 338.499 3.094 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447076087 458262788 /nfs/dbraw/zinc/26/27/88/458262788.db2.gz GLQUCRPLZPTPEB-UHFFFAOYSA-N 2 2 338.459 3.228 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000447076087 458262796 /nfs/dbraw/zinc/26/27/96/458262796.db2.gz GLQUCRPLZPTPEB-UHFFFAOYSA-N 2 2 338.459 3.228 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000429154422 458282068 /nfs/dbraw/zinc/28/20/68/458282068.db2.gz KSUZAIGMEFWYGH-CABCVRRESA-N 2 2 339.886 3.474 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000429154422 458282073 /nfs/dbraw/zinc/28/20/73/458282073.db2.gz KSUZAIGMEFWYGH-CABCVRRESA-N 2 2 339.886 3.474 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000429154422 458282077 /nfs/dbraw/zinc/28/20/77/458282077.db2.gz KSUZAIGMEFWYGH-CABCVRRESA-N 2 2 339.886 3.474 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000429154422 458282081 /nfs/dbraw/zinc/28/20/81/458282081.db2.gz KSUZAIGMEFWYGH-CABCVRRESA-N 2 2 339.886 3.474 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602519 458285818 /nfs/dbraw/zinc/28/58/18/458285818.db2.gz QRNOMKJHEYPPKI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602519 458285821 /nfs/dbraw/zinc/28/58/21/458285821.db2.gz QRNOMKJHEYPPKI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)o2)c1 ZINC000369602519 458285826 /nfs/dbraw/zinc/28/58/26/458285826.db2.gz QRNOMKJHEYPPKI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)o2)c1 ZINC000369602519 458285830 /nfs/dbraw/zinc/28/58/30/458285830.db2.gz QRNOMKJHEYPPKI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000369614264 458290332 /nfs/dbraw/zinc/29/03/32/458290332.db2.gz WSPBWGGSXZNTLH-GOSISDBHSA-N 2 2 347.422 3.075 20 0 EGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000369614264 458290339 /nfs/dbraw/zinc/29/03/39/458290339.db2.gz WSPBWGGSXZNTLH-GOSISDBHSA-N 2 2 347.422 3.075 20 0 EGADLP COCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414898374 458326397 /nfs/dbraw/zinc/32/63/97/458326397.db2.gz SWLWAVKWFVDGAZ-WOJBJXKFSA-N 2 2 328.431 3.207 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459335551 458333886 /nfs/dbraw/zinc/33/38/86/458333886.db2.gz GTVZGAABUNZMGF-IBGZPJMESA-N 2 2 348.441 3.010 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429548532 458344259 /nfs/dbraw/zinc/34/42/59/458344259.db2.gz QFVRESJQCMFCNR-HXUWFJFHSA-N 2 2 345.531 3.150 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429548532 458344264 /nfs/dbraw/zinc/34/42/64/458344264.db2.gz QFVRESJQCMFCNR-HXUWFJFHSA-N 2 2 345.531 3.150 20 0 EGADLP CC[C@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675388 458357477 /nfs/dbraw/zinc/35/74/77/458357477.db2.gz GIHHCPMUWRGEBF-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675388 458357482 /nfs/dbraw/zinc/35/74/82/458357482.db2.gz GIHHCPMUWRGEBF-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675388 458357483 /nfs/dbraw/zinc/35/74/83/458357483.db2.gz GIHHCPMUWRGEBF-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675388 458357488 /nfs/dbraw/zinc/35/74/88/458357488.db2.gz GIHHCPMUWRGEBF-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CS[C@@H]1CCCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681575 458357796 /nfs/dbraw/zinc/35/77/96/458357796.db2.gz CQVQEABFDFMWKJ-VQTJNVASSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@@H]1CCCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681575 458357799 /nfs/dbraw/zinc/35/77/99/458357799.db2.gz CQVQEABFDFMWKJ-VQTJNVASSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@@H]1CCCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681575 458357800 /nfs/dbraw/zinc/35/78/00/458357800.db2.gz CQVQEABFDFMWKJ-VQTJNVASSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@@H]1CCCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681575 458357801 /nfs/dbraw/zinc/35/78/01/458357801.db2.gz CQVQEABFDFMWKJ-VQTJNVASSA-N 2 2 348.556 3.495 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCc4ccccc4C3)C2)cc1 ZINC000429724058 458363153 /nfs/dbraw/zinc/36/31/53/458363153.db2.gz WIFQRZQNWSPBHJ-JOCHJYFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCc4ccccc4C3)C2)cc1 ZINC000429724058 458363156 /nfs/dbraw/zinc/36/31/56/458363156.db2.gz WIFQRZQNWSPBHJ-JOCHJYFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000429724058 458363160 /nfs/dbraw/zinc/36/31/60/458363160.db2.gz WIFQRZQNWSPBHJ-JOCHJYFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000429724058 458363164 /nfs/dbraw/zinc/36/31/64/458363164.db2.gz WIFQRZQNWSPBHJ-JOCHJYFZSA-N 2 2 336.479 3.336 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000429722878 458363452 /nfs/dbraw/zinc/36/34/52/458363452.db2.gz ZZMFTWJZXGDINB-UHFFFAOYSA-N 2 2 330.403 3.451 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(-c2ccncc2)cs1 ZINC000459485874 458388627 /nfs/dbraw/zinc/38/86/27/458388627.db2.gz UOFSENOYFPGZEX-ZDUSSCGKSA-N 2 2 328.485 3.483 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142754 458409581 /nfs/dbraw/zinc/40/95/81/458409581.db2.gz DBWFSGLTLFKCBE-LJQANCHMSA-N 2 2 344.890 3.268 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142754 458409585 /nfs/dbraw/zinc/40/95/85/458409585.db2.gz DBWFSGLTLFKCBE-LJQANCHMSA-N 2 2 344.890 3.268 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142754 458409590 /nfs/dbraw/zinc/40/95/90/458409590.db2.gz DBWFSGLTLFKCBE-LJQANCHMSA-N 2 2 344.890 3.268 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2Cl)n1 ZINC000430142754 458409593 /nfs/dbraw/zinc/40/95/93/458409593.db2.gz DBWFSGLTLFKCBE-LJQANCHMSA-N 2 2 344.890 3.268 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144285 458410018 /nfs/dbraw/zinc/41/00/18/458410018.db2.gz GPJWFGBZGQZMRG-LJQANCHMSA-N 2 2 333.907 3.468 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144285 458410023 /nfs/dbraw/zinc/41/00/23/458410023.db2.gz GPJWFGBZGQZMRG-LJQANCHMSA-N 2 2 333.907 3.468 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144285 458410027 /nfs/dbraw/zinc/41/00/27/458410027.db2.gz GPJWFGBZGQZMRG-LJQANCHMSA-N 2 2 333.907 3.468 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144285 458410031 /nfs/dbraw/zinc/41/00/31/458410031.db2.gz GPJWFGBZGQZMRG-LJQANCHMSA-N 2 2 333.907 3.468 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423472457 458437552 /nfs/dbraw/zinc/43/75/52/458437552.db2.gz FVIKHOQWGLVECL-XJKSGUPXSA-N 2 2 333.476 3.108 20 0 EGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ncc(Br)cc1F ZINC000423498575 458443895 /nfs/dbraw/zinc/44/38/95/458443895.db2.gz IFQYDMBRIGICRJ-RNCFNFMXSA-N 2 2 330.245 3.151 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423504027 458444988 /nfs/dbraw/zinc/44/49/88/458444988.db2.gz NGNMZBIRYSHVQF-KXBFYZLASA-N 2 2 325.456 3.256 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000423503550 458445098 /nfs/dbraw/zinc/44/50/98/458445098.db2.gz MTHOOOJSKDSTIT-OXQOHEQNSA-N 2 2 339.483 3.280 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000423508298 458446388 /nfs/dbraw/zinc/44/63/88/458446388.db2.gz HXPLEFWOIJXZHI-REWPJTCUSA-N 2 2 345.490 3.422 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423506594 458446662 /nfs/dbraw/zinc/44/66/62/458446662.db2.gz HFZKGQLNXIMSRJ-RDJZCZTQSA-N 2 2 343.446 3.172 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000430553055 458459393 /nfs/dbraw/zinc/45/93/93/458459393.db2.gz SUNBNMZRWOWYSY-LRQRDZAKSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000430553055 458459399 /nfs/dbraw/zinc/45/93/99/458459399.db2.gz SUNBNMZRWOWYSY-LRQRDZAKSA-N 2 2 343.515 3.093 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000430559588 458460896 /nfs/dbraw/zinc/46/08/96/458460896.db2.gz DOMZZRZMJOQPJI-UZLBHIALSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000430559588 458460897 /nfs/dbraw/zinc/46/08/97/458460897.db2.gz DOMZZRZMJOQPJI-UZLBHIALSA-N 2 2 341.499 3.322 20 0 EGADLP CC[C@H](NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575381 458464231 /nfs/dbraw/zinc/46/42/31/458464231.db2.gz KNPPCVKTMMPJSU-IRXDYDNUSA-N 2 2 339.911 3.213 20 0 EGADLP CC[C@H](NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575381 458464238 /nfs/dbraw/zinc/46/42/38/458464238.db2.gz KNPPCVKTMMPJSU-IRXDYDNUSA-N 2 2 339.911 3.213 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000430581008 458465776 /nfs/dbraw/zinc/46/57/76/458465776.db2.gz NGTJIXHOFNNUGD-CQSZACIVSA-N 2 2 349.784 3.014 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583862 458466288 /nfs/dbraw/zinc/46/62/88/458466288.db2.gz XZKJBMBEDWTKLV-CRAIPNDOSA-N 2 2 333.520 3.444 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430583862 458466293 /nfs/dbraw/zinc/46/62/93/458466293.db2.gz XZKJBMBEDWTKLV-CRAIPNDOSA-N 2 2 333.520 3.444 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586028 458466726 /nfs/dbraw/zinc/46/67/26/458466726.db2.gz XTVGFDCQAMDRFZ-ROUUACIJSA-N 2 2 343.515 3.412 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586028 458466728 /nfs/dbraw/zinc/46/67/28/458466728.db2.gz XTVGFDCQAMDRFZ-ROUUACIJSA-N 2 2 343.515 3.412 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591348 458467442 /nfs/dbraw/zinc/46/74/42/458467442.db2.gz FDJANUGFRQIEAH-YNEHKIRRSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430591348 458467448 /nfs/dbraw/zinc/46/74/48/458467448.db2.gz FDJANUGFRQIEAH-YNEHKIRRSA-N 2 2 343.393 3.092 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588827 458468419 /nfs/dbraw/zinc/46/84/19/458468419.db2.gz GGHPJQLQOSBTTR-MAUKXSAKSA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588827 458468421 /nfs/dbraw/zinc/46/84/21/458468421.db2.gz GGHPJQLQOSBTTR-MAUKXSAKSA-N 2 2 327.472 3.472 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430598401 458469737 /nfs/dbraw/zinc/46/97/37/458469737.db2.gz NZXZOKRXQJXIGU-ZOBUZTSGSA-N 2 2 343.471 3.011 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430598401 458469742 /nfs/dbraw/zinc/46/97/42/458469742.db2.gz NZXZOKRXQJXIGU-ZOBUZTSGSA-N 2 2 343.471 3.011 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607193 458470809 /nfs/dbraw/zinc/47/08/09/458470809.db2.gz XQMRBXXUEMEFES-IAGOWNOFSA-N 2 2 331.504 3.377 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607193 458470813 /nfs/dbraw/zinc/47/08/13/458470813.db2.gz XQMRBXXUEMEFES-IAGOWNOFSA-N 2 2 331.504 3.377 20 0 EGADLP [NH3+]C1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000430642698 458474550 /nfs/dbraw/zinc/47/45/50/458474550.db2.gz VXLKZIRAFIYACU-UHFFFAOYSA-N 2 2 336.233 3.027 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423811392 458488068 /nfs/dbraw/zinc/48/80/68/458488068.db2.gz BOSGPXBSJUPFOZ-YJBOKZPZSA-N 2 2 343.496 3.043 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000423815150 458489392 /nfs/dbraw/zinc/48/93/92/458489392.db2.gz HUFSKTGIXXAOIY-CABCVRRESA-N 2 2 343.496 3.287 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000430800547 458493546 /nfs/dbraw/zinc/49/35/46/458493546.db2.gz RVQSWTQWLPBENP-SJORKVTESA-N 2 2 326.444 3.416 20 0 EGADLP C[C@@H]1C[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430944912 458508968 /nfs/dbraw/zinc/50/89/68/458508968.db2.gz OPKHRKBHWGMGJI-AYOQOUSVSA-N 2 2 348.450 3.495 20 0 EGADLP C[C@@H]1C[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430944912 458508974 /nfs/dbraw/zinc/50/89/74/458508974.db2.gz OPKHRKBHWGMGJI-AYOQOUSVSA-N 2 2 348.450 3.495 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468561043 458527444 /nfs/dbraw/zinc/52/74/44/458527444.db2.gz RGBVPPCCQFAXSQ-UYAOXDASSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468561043 458527450 /nfs/dbraw/zinc/52/74/50/458527450.db2.gz RGBVPPCCQFAXSQ-UYAOXDASSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000438102128 458531761 /nfs/dbraw/zinc/53/17/61/458531761.db2.gz CZIBPJJSTKYHOM-CJNGLKHVSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000438102128 458531766 /nfs/dbraw/zinc/53/17/66/458531766.db2.gz CZIBPJJSTKYHOM-CJNGLKHVSA-N 2 2 327.457 3.418 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377826055 458543013 /nfs/dbraw/zinc/54/30/13/458543013.db2.gz IJYFOHCMMFJREG-GFCCVEGCSA-N 2 2 337.370 3.020 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000377826055 458543017 /nfs/dbraw/zinc/54/30/17/458543017.db2.gz IJYFOHCMMFJREG-GFCCVEGCSA-N 2 2 337.370 3.020 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000438186785 458547096 /nfs/dbraw/zinc/54/70/96/458547096.db2.gz FZEKUMUKIUKXME-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000438186785 458547101 /nfs/dbraw/zinc/54/71/01/458547101.db2.gz FZEKUMUKIUKXME-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000493769079 458560090 /nfs/dbraw/zinc/56/00/90/458560090.db2.gz FGWILHRIIUROAI-KXPUMZMLSA-N 2 2 344.846 3.030 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000377889121 458564879 /nfs/dbraw/zinc/56/48/79/458564879.db2.gz NIUTXPHTHCRELZ-AWEZNQCLSA-N 2 2 341.846 3.453 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000377889121 458564880 /nfs/dbraw/zinc/56/48/80/458564880.db2.gz NIUTXPHTHCRELZ-AWEZNQCLSA-N 2 2 341.846 3.453 20 0 EGADLP [NH3+][C@H](CCC(=O)NCc1ccn2cc[nH+]c2c1)CC1CCCCC1 ZINC000424143439 458568443 /nfs/dbraw/zinc/56/84/43/458568443.db2.gz JSAIQJIQFADZFE-QGZVFWFLSA-N 2 2 328.460 3.028 20 0 EGADLP CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000462357027 458614715 /nfs/dbraw/zinc/61/47/15/458614715.db2.gz GVUAQDNRNLHRLC-ICSRJNTNSA-N 2 2 346.515 3.456 20 0 EGADLP CCCc1csc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000494357337 458663737 /nfs/dbraw/zinc/66/37/37/458663737.db2.gz PBHVIVIJWXWEHD-UHFFFAOYSA-N 2 2 330.501 3.245 20 0 EGADLP COc1ccc(F)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000462915394 458665883 /nfs/dbraw/zinc/66/58/83/458665883.db2.gz XTHNXEFRKHHFJI-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000462915394 458665889 /nfs/dbraw/zinc/66/58/89/458665889.db2.gz XTHNXEFRKHHFJI-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1ccc(F)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000462915394 458665895 /nfs/dbraw/zinc/66/58/95/458665895.db2.gz XTHNXEFRKHHFJI-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1ccc(F)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000462915394 458665899 /nfs/dbraw/zinc/66/58/99/458665899.db2.gz XTHNXEFRKHHFJI-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494394296 458669548 /nfs/dbraw/zinc/66/95/48/458669548.db2.gz UYIIKVWZRQVCTQ-GFCCVEGCSA-N 2 2 340.652 3.404 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979803 458672858 /nfs/dbraw/zinc/67/28/58/458672858.db2.gz PAQPROYINHMTCQ-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979803 458672864 /nfs/dbraw/zinc/67/28/64/458672864.db2.gz PAQPROYINHMTCQ-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470979803 458672871 /nfs/dbraw/zinc/67/28/71/458672871.db2.gz PAQPROYINHMTCQ-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979803 458672876 /nfs/dbraw/zinc/67/28/76/458672876.db2.gz PAQPROYINHMTCQ-ZBFHGGJFSA-N 2 2 349.906 3.331 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217632 458719914 /nfs/dbraw/zinc/71/99/14/458719914.db2.gz UQLYBIVLOXNSLG-HZPDHXFCSA-N 2 2 330.863 3.037 20 0 EGADLP Brc1cccc(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000432411297 458734196 /nfs/dbraw/zinc/73/41/96/458734196.db2.gz XDKFJKYEIUBIDC-SIWZUTFBSA-N 2 2 346.272 3.496 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472452297 458797767 /nfs/dbraw/zinc/79/77/67/458797767.db2.gz XJWIBYRGQUFWDX-AEFFLSMTSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472452297 458797772 /nfs/dbraw/zinc/79/77/72/458797772.db2.gz XJWIBYRGQUFWDX-AEFFLSMTSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472452297 458797776 /nfs/dbraw/zinc/79/77/76/458797776.db2.gz XJWIBYRGQUFWDX-AEFFLSMTSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452297 458797778 /nfs/dbraw/zinc/79/77/78/458797778.db2.gz XJWIBYRGQUFWDX-AEFFLSMTSA-N 2 2 343.515 3.240 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828537 458800675 /nfs/dbraw/zinc/80/06/75/458800675.db2.gz ZHIXZBSVHLNYBO-AZUAARDMSA-N 3 2 326.488 3.164 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828537 458800679 /nfs/dbraw/zinc/80/06/79/458800679.db2.gz ZHIXZBSVHLNYBO-AZUAARDMSA-N 3 2 326.488 3.164 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c[nH+]1 ZINC000518457943 458869211 /nfs/dbraw/zinc/86/92/11/458869211.db2.gz XJNAIDLKKWGROF-UHFFFAOYSA-N 2 2 340.471 3.413 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c[nH+]1 ZINC000518457943 458869216 /nfs/dbraw/zinc/86/92/16/458869216.db2.gz XJNAIDLKKWGROF-UHFFFAOYSA-N 2 2 340.471 3.413 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)ccc2n1C ZINC000531152253 458879393 /nfs/dbraw/zinc/87/93/93/458879393.db2.gz HEVXHYRMLVIMPQ-HNNXBMFYSA-N 2 2 340.471 3.475 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)ccc2n1C ZINC000531152253 458879400 /nfs/dbraw/zinc/87/94/00/458879400.db2.gz HEVXHYRMLVIMPQ-HNNXBMFYSA-N 2 2 340.471 3.475 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000495546732 458879979 /nfs/dbraw/zinc/87/99/79/458879979.db2.gz AIQTUBYROWJPRU-OAHLLOKOSA-N 2 2 344.459 3.214 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000441198127 458899171 /nfs/dbraw/zinc/89/91/71/458899171.db2.gz AYJLSYBFXUULOA-LAUBAEHRSA-N 2 2 349.478 3.033 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223314 458902251 /nfs/dbraw/zinc/90/22/51/458902251.db2.gz GSPVJVLLQKVHDE-XLIONFOSSA-N 2 2 349.478 3.348 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223314 458902258 /nfs/dbraw/zinc/90/22/58/458902258.db2.gz GSPVJVLLQKVHDE-XLIONFOSSA-N 2 2 349.478 3.348 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378347 458908230 /nfs/dbraw/zinc/90/82/30/458908230.db2.gz BKNIASYEIYTAQB-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378347 458908236 /nfs/dbraw/zinc/90/82/36/458908236.db2.gz BKNIASYEIYTAQB-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378347 458908243 /nfs/dbraw/zinc/90/82/43/458908243.db2.gz BKNIASYEIYTAQB-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378347 458908250 /nfs/dbraw/zinc/90/82/50/458908250.db2.gz BKNIASYEIYTAQB-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441332347 458921434 /nfs/dbraw/zinc/92/14/34/458921434.db2.gz QYCOFXVHQMVKPL-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441332347 458921442 /nfs/dbraw/zinc/92/14/42/458921442.db2.gz QYCOFXVHQMVKPL-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441332347 458921448 /nfs/dbraw/zinc/92/14/48/458921448.db2.gz QYCOFXVHQMVKPL-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441332347 458921451 /nfs/dbraw/zinc/92/14/51/458921451.db2.gz QYCOFXVHQMVKPL-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823801 458926993 /nfs/dbraw/zinc/92/69/93/458926993.db2.gz RMELRFFHXBPYNE-WUUFJKRQSA-N 2 2 342.531 3.272 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823801 458927000 /nfs/dbraw/zinc/92/70/00/458927000.db2.gz RMELRFFHXBPYNE-WUUFJKRQSA-N 2 2 342.531 3.272 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369970 458929731 /nfs/dbraw/zinc/92/97/31/458929731.db2.gz OWLYEHLUELPZBB-AEFFLSMTSA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369970 458929732 /nfs/dbraw/zinc/92/97/32/458929732.db2.gz OWLYEHLUELPZBB-AEFFLSMTSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369970 458929734 /nfs/dbraw/zinc/92/97/34/458929734.db2.gz OWLYEHLUELPZBB-AEFFLSMTSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369970 458929735 /nfs/dbraw/zinc/92/97/35/458929735.db2.gz OWLYEHLUELPZBB-AEFFLSMTSA-N 2 2 349.906 3.252 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000467360998 458969426 /nfs/dbraw/zinc/96/94/26/458969426.db2.gz XWLRUYWRONXWNH-FCHUYYIVSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000467360998 458969432 /nfs/dbraw/zinc/96/94/32/458969432.db2.gz XWLRUYWRONXWNH-FCHUYYIVSA-N 2 2 338.495 3.153 20 0 EGADLP C[C@H](C[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000467352044 458970210 /nfs/dbraw/zinc/97/02/10/458970210.db2.gz FAJNHDHRYDYJPJ-HUUCEWRRSA-N 2 2 344.421 3.194 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390456 458973476 /nfs/dbraw/zinc/97/34/76/458973476.db2.gz VYKLLCYPSBKFDM-MOPGFXCFSA-N 2 2 335.923 3.407 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390456 458973482 /nfs/dbraw/zinc/97/34/82/458973482.db2.gz VYKLLCYPSBKFDM-MOPGFXCFSA-N 2 2 335.923 3.407 20 0 EGADLP c1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2cncnc2)cc1 ZINC000556703516 458992812 /nfs/dbraw/zinc/99/28/12/458992812.db2.gz GXUOYKKKSOBINS-NRFANRHFSA-N 2 2 345.450 3.220 20 0 EGADLP CN(CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000495910505 459001316 /nfs/dbraw/zinc/00/13/16/459001316.db2.gz LRQBOKUELZGDTQ-UHFFFAOYSA-N 2 2 348.491 3.215 20 0 EGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968104 459022148 /nfs/dbraw/zinc/02/21/48/459022148.db2.gz HHDGVLKVTTUUQC-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)c1nc(C2CCCC2)no1 ZINC000442747761 459030514 /nfs/dbraw/zinc/03/05/14/459030514.db2.gz ZXXQSTJHXPSTLI-KRWDZBQOSA-N 2 2 337.427 3.215 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C2CCC(C(F)F)CC2)[N@H+](Cc2ccccc2)C1 ZINC000442814288 459042453 /nfs/dbraw/zinc/04/24/53/459042453.db2.gz CRPCEVLHELOMFZ-OPQOLIRYSA-N 2 2 338.442 3.035 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C2CCC(C(F)F)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000442814288 459042461 /nfs/dbraw/zinc/04/24/61/459042461.db2.gz CRPCEVLHELOMFZ-OPQOLIRYSA-N 2 2 338.442 3.035 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1sccc1Br ZINC000532194130 459044719 /nfs/dbraw/zinc/04/47/19/459044719.db2.gz LVNXISONPPKFLM-NSHDSACASA-N 2 2 335.311 3.130 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1sccc1Br ZINC000532194130 459044721 /nfs/dbraw/zinc/04/47/21/459044721.db2.gz LVNXISONPPKFLM-NSHDSACASA-N 2 2 335.311 3.130 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496165808 459094645 /nfs/dbraw/zinc/09/46/45/459094645.db2.gz IEHKAVBRMFEYNI-DOTOQJQBSA-N 2 2 333.476 3.168 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443201689 459098438 /nfs/dbraw/zinc/09/84/38/459098438.db2.gz IQKHWNJTLGYNJO-ABSDTBQOSA-N 2 2 333.520 3.223 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCC[C@@H](C)C3)c2cc1C ZINC000578033704 459136817 /nfs/dbraw/zinc/13/68/17/459136817.db2.gz NTGLNYRBCXWRKR-FHLIZLRMSA-N 2 2 329.488 3.430 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000594750102 459151017 /nfs/dbraw/zinc/15/10/17/459151017.db2.gz XUCYMJNPRQWQON-QUCCMNQESA-N 2 2 343.515 3.033 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000594750102 459151020 /nfs/dbraw/zinc/15/10/20/459151020.db2.gz XUCYMJNPRQWQON-QUCCMNQESA-N 2 2 343.515 3.033 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NC/C=C\c3ccccc3)[nH+]c2)CC1 ZINC000532866768 459151546 /nfs/dbraw/zinc/15/15/46/459151546.db2.gz WYQQIMMCLYAKHI-TWGQIWQCSA-N 2 2 336.483 3.159 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000567725823 459154820 /nfs/dbraw/zinc/15/48/20/459154820.db2.gz KYPJYAIDUTZRAR-GHTZIAJQSA-N 2 2 349.478 3.228 20 0 EGADLP CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000532949974 459166307 /nfs/dbraw/zinc/16/63/07/459166307.db2.gz QCPBOBVIRNDTMA-UHFFFAOYSA-N 2 2 347.503 3.069 20 0 EGADLP CC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000532949974 459166311 /nfs/dbraw/zinc/16/63/11/459166311.db2.gz QCPBOBVIRNDTMA-UHFFFAOYSA-N 2 2 347.503 3.069 20 0 EGADLP Cc1ccc(C[C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000480274378 459190461 /nfs/dbraw/zinc/19/04/61/459190461.db2.gz MZHLLZJHLNLYQR-LVCYWYKZSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1ccc(C[C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000480274378 459190465 /nfs/dbraw/zinc/19/04/65/459190465.db2.gz MZHLLZJHLNLYQR-LVCYWYKZSA-N 2 2 330.516 3.405 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)cn1 ZINC000558729439 459204400 /nfs/dbraw/zinc/20/44/00/459204400.db2.gz ZIRCVSNQGGCLKW-GFCCVEGCSA-N 2 2 335.249 3.392 20 0 EGADLP CC(C)[N@H+](C)CC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000522106303 459214677 /nfs/dbraw/zinc/21/46/77/459214677.db2.gz QWCUXXMXBQORMK-UHFFFAOYSA-N 2 2 331.508 3.024 20 0 EGADLP CC(C)[N@@H+](C)CC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000522106303 459214680 /nfs/dbraw/zinc/21/46/80/459214680.db2.gz QWCUXXMXBQORMK-UHFFFAOYSA-N 2 2 331.508 3.024 20 0 EGADLP CC(C)[N@H+](C)CC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000522106303 459214683 /nfs/dbraw/zinc/21/46/83/459214683.db2.gz QWCUXXMXBQORMK-UHFFFAOYSA-N 2 2 331.508 3.024 20 0 EGADLP CC(C)[N@@H+](C)CC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000522106303 459214686 /nfs/dbraw/zinc/21/46/86/459214686.db2.gz QWCUXXMXBQORMK-UHFFFAOYSA-N 2 2 331.508 3.024 20 0 EGADLP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000581939546 459280864 /nfs/dbraw/zinc/28/08/64/459280864.db2.gz KQISBIAYMJYKEW-QFUCXCTJSA-N 2 2 342.483 3.016 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000482240380 459298918 /nfs/dbraw/zinc/29/89/18/459298918.db2.gz HDPFMMSGXHPWQQ-CQSZACIVSA-N 2 2 338.879 3.338 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082618 459310113 /nfs/dbraw/zinc/31/01/13/459310113.db2.gz SAXVONCDSKEQGT-ZIAGYGMSSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082618 459310117 /nfs/dbraw/zinc/31/01/17/459310117.db2.gz SAXVONCDSKEQGT-ZIAGYGMSSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082749 459310865 /nfs/dbraw/zinc/31/08/65/459310865.db2.gz KPGJEEJWZOHOQP-BBRMVZONSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082749 459310866 /nfs/dbraw/zinc/31/08/66/459310866.db2.gz KPGJEEJWZOHOQP-BBRMVZONSA-N 2 2 332.835 3.201 20 0 EGADLP CC[C@@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCOC1 ZINC000482710105 459322457 /nfs/dbraw/zinc/32/24/57/459322457.db2.gz CZWFNRKEYASQPL-QZTJIDSGSA-N 2 2 338.536 3.205 20 0 EGADLP CC[C@@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCOC1 ZINC000482710105 459322462 /nfs/dbraw/zinc/32/24/62/459322462.db2.gz CZWFNRKEYASQPL-QZTJIDSGSA-N 2 2 338.536 3.205 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[NH+]2CCC([NH2+]Cc3ccccc3)CC2)o1 ZINC000595510570 459330791 /nfs/dbraw/zinc/33/07/91/459330791.db2.gz MVXNAVVZUTXLDU-OAHLLOKOSA-N 2 2 342.439 3.381 20 0 EGADLP Cn1c[nH+]cc1C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496936195 459376924 /nfs/dbraw/zinc/37/69/24/459376924.db2.gz FPSCYMIZZVLJFW-UHFFFAOYSA-N 2 2 348.491 3.033 20 0 EGADLP Cc1ccccc1[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331178 459433026 /nfs/dbraw/zinc/43/30/26/459433026.db2.gz KRLDLWPPZMGMJB-PXNSSMCTSA-N 2 2 328.431 3.250 20 0 EGADLP Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331178 459433032 /nfs/dbraw/zinc/43/30/32/459433032.db2.gz KRLDLWPPZMGMJB-PXNSSMCTSA-N 2 2 328.431 3.250 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000569447579 459452689 /nfs/dbraw/zinc/45/26/89/459452689.db2.gz BFPOOTMBTHQKQY-KXBFYZLASA-N 2 2 329.488 3.436 20 0 EGADLP C[N@H+](CCC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000582942872 459454703 /nfs/dbraw/zinc/45/47/03/459454703.db2.gz BZLRBKICQVWCFU-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP C[N@@H+](CCC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000582942872 459454706 /nfs/dbraw/zinc/45/47/06/459454706.db2.gz BZLRBKICQVWCFU-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000595895618 459479697 /nfs/dbraw/zinc/47/96/97/459479697.db2.gz QPYCQFFXRDOIQM-DLBZAZTESA-N 2 2 336.863 3.018 20 0 EGADLP COC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1 ZINC000562023129 459503701 /nfs/dbraw/zinc/50/37/01/459503701.db2.gz WHMCVZOVMVLMHT-DLBZAZTESA-N 2 2 327.472 3.473 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000569768543 459504674 /nfs/dbraw/zinc/50/46/74/459504674.db2.gz IJDZYGRSVKOJEX-BVYCBKJFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000569768543 459504677 /nfs/dbraw/zinc/50/46/77/459504677.db2.gz IJDZYGRSVKOJEX-BVYCBKJFSA-N 2 2 338.495 3.090 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498828587 459607146 /nfs/dbraw/zinc/60/71/46/459607146.db2.gz MAOXIUHXOLQLGE-IBGZPJMESA-N 2 2 344.499 3.417 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498828587 459607148 /nfs/dbraw/zinc/60/71/48/459607148.db2.gz MAOXIUHXOLQLGE-IBGZPJMESA-N 2 2 344.499 3.417 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000527298328 459625208 /nfs/dbraw/zinc/62/52/08/459625208.db2.gz BQVURPYORGMJIB-INIZCTEOSA-N 2 2 348.539 3.292 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000527298328 459625211 /nfs/dbraw/zinc/62/52/11/459625211.db2.gz BQVURPYORGMJIB-INIZCTEOSA-N 2 2 348.539 3.292 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@@H+]1C1CC1 ZINC000499701879 459648175 /nfs/dbraw/zinc/64/81/75/459648175.db2.gz NSTMKCUTWYHPBI-ZWKOTPCHSA-N 2 2 349.563 3.015 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@H+]1C1CC1 ZINC000499701879 459648179 /nfs/dbraw/zinc/64/81/79/459648179.db2.gz NSTMKCUTWYHPBI-ZWKOTPCHSA-N 2 2 349.563 3.015 20 0 EGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598701 459673789 /nfs/dbraw/zinc/67/37/89/459673789.db2.gz FSDLSILVMJRQKO-NEWSRXKRSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598701 459673793 /nfs/dbraw/zinc/67/37/93/459673793.db2.gz FSDLSILVMJRQKO-NEWSRXKRSA-N 2 2 326.488 3.371 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000527672232 459694237 /nfs/dbraw/zinc/69/42/37/459694237.db2.gz FDFKSAXAHDWOQV-ZBEGNZNMSA-N 2 2 328.378 3.286 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000527672232 459694239 /nfs/dbraw/zinc/69/42/39/459694239.db2.gz FDFKSAXAHDWOQV-ZBEGNZNMSA-N 2 2 328.378 3.286 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc4cc[nH]c4c3)[nH+]c2)CC1 ZINC000527675489 459695324 /nfs/dbraw/zinc/69/53/24/459695324.db2.gz NBWUJWQARRPGOL-UHFFFAOYSA-N 2 2 349.482 3.127 20 0 EGADLP Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000596631759 459705497 /nfs/dbraw/zinc/70/54/97/459705497.db2.gz GAYKAZUMRXMQFL-UHFFFAOYSA-N 2 2 341.474 3.436 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000574032640 459770672 /nfs/dbraw/zinc/77/06/72/459770672.db2.gz MUBFEEVHAYJRHP-NRFANRHFSA-N 2 2 335.451 3.015 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000566024422 459795384 /nfs/dbraw/zinc/79/53/84/459795384.db2.gz VLMGJKDGDSJHNI-IBGZPJMESA-N 2 2 341.430 3.018 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000566024422 459795386 /nfs/dbraw/zinc/79/53/86/459795386.db2.gz VLMGJKDGDSJHNI-IBGZPJMESA-N 2 2 341.430 3.018 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519462 459829886 /nfs/dbraw/zinc/82/98/86/459829886.db2.gz KQRNUCWLEDKKDX-HNAYVOBHSA-N 2 2 341.430 3.176 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519462 459829890 /nfs/dbraw/zinc/82/98/90/459829890.db2.gz KQRNUCWLEDKKDX-HNAYVOBHSA-N 2 2 341.430 3.176 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1F ZINC000585810828 459854391 /nfs/dbraw/zinc/85/43/91/459854391.db2.gz LAEPEZNDKKESCB-KRWDZBQOSA-N 2 2 341.430 3.018 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1F ZINC000585810828 459854398 /nfs/dbraw/zinc/85/43/98/459854398.db2.gz LAEPEZNDKKESCB-KRWDZBQOSA-N 2 2 341.430 3.018 20 0 EGADLP CCCCC/C(=C/c1ccccc1)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000588178625 459926148 /nfs/dbraw/zinc/92/61/48/459926148.db2.gz HBFFBWFLPSBLQJ-SILNSSARSA-N 2 2 343.515 3.014 20 0 EGADLP CCCCc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000618402094 459999631 /nfs/dbraw/zinc/99/96/31/459999631.db2.gz KLVLVCBGDANUEZ-UHFFFAOYSA-N 2 2 345.531 3.127 20 0 EGADLP CCCCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000618402094 459999637 /nfs/dbraw/zinc/99/96/37/459999637.db2.gz KLVLVCBGDANUEZ-UHFFFAOYSA-N 2 2 345.531 3.127 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)CC[C@H]3CCC[NH2+]C3)ccc2n1C1CC1 ZINC000621664297 460001049 /nfs/dbraw/zinc/00/10/49/460001049.db2.gz QAITYCZZUJDBDS-OAHLLOKOSA-N 2 2 340.471 3.076 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000593908836 460015927 /nfs/dbraw/zinc/01/59/27/460015927.db2.gz GEUNQVXJXHNIQT-GOSISDBHSA-N 2 2 349.544 3.470 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000575860077 460018828 /nfs/dbraw/zinc/01/88/28/460018828.db2.gz JCKDOZOOXVSKNB-KDOFPFPSSA-N 2 2 344.484 3.007 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000575919613 460032325 /nfs/dbraw/zinc/03/23/25/460032325.db2.gz SFWVPPKNXIALFZ-OAHLLOKOSA-N 2 2 340.345 3.154 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576122736 460076398 /nfs/dbraw/zinc/07/63/98/460076398.db2.gz LMOUSNPPKKOTCS-YLJYHZDGSA-N 2 2 334.479 3.334 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576122736 460076402 /nfs/dbraw/zinc/07/64/02/460076402.db2.gz LMOUSNPPKKOTCS-YLJYHZDGSA-N 2 2 334.479 3.334 20 0 EGADLP CC(C)c1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000576359402 460126467 /nfs/dbraw/zinc/12/64/67/460126467.db2.gz ICSDCCPJBVZOGD-KRWDZBQOSA-N 2 2 346.519 3.415 20 0 EGADLP COc1ccc(F)c(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)c1 ZINC000576432729 460139045 /nfs/dbraw/zinc/13/90/45/460139045.db2.gz OSXSLQRQRCQDEF-UHFFFAOYSA-N 2 2 343.446 3.293 20 0 EGADLP Fc1cc(C[NH2+]Cc2cnc3ccccc3n2)ccc1-n1cc[nH+]c1 ZINC000589839978 460147808 /nfs/dbraw/zinc/14/78/08/460147808.db2.gz UQEXDBRWGLBUTH-UHFFFAOYSA-N 2 2 333.370 3.244 20 0 EGADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000576627201 460180709 /nfs/dbraw/zinc/18/07/09/460180709.db2.gz SIOJWIZZHXKPGY-UHFFFAOYSA-N 2 2 347.369 3.172 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000576704267 460198084 /nfs/dbraw/zinc/19/80/84/460198084.db2.gz GBRGYYDIBLAHRD-XLIONFOSSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000576704267 460198088 /nfs/dbraw/zinc/19/80/88/460198088.db2.gz GBRGYYDIBLAHRD-XLIONFOSSA-N 2 2 337.467 3.346 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625802301 460269279 /nfs/dbraw/zinc/26/92/79/460269279.db2.gz HSMGWZAMQHNCRS-FQEVSTJZSA-N 2 2 330.472 3.218 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625802301 460269283 /nfs/dbraw/zinc/26/92/83/460269283.db2.gz HSMGWZAMQHNCRS-FQEVSTJZSA-N 2 2 330.472 3.218 20 0 EGADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000615302812 460307350 /nfs/dbraw/zinc/30/73/50/460307350.db2.gz OQKYZJIATMALCB-PBHICJAKSA-N 2 2 325.412 3.039 20 0 EGADLP COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000603518690 460316236 /nfs/dbraw/zinc/31/62/36/460316236.db2.gz IYESCLYYCZGPLH-SFHVURJKSA-N 2 2 335.407 3.494 20 0 EGADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000631579470 460454166 /nfs/dbraw/zinc/45/41/66/460454166.db2.gz IQTMSBXPNKRYPE-XMSQKQJNSA-N 2 2 337.511 3.120 20 0 EGADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000631579470 460454174 /nfs/dbraw/zinc/45/41/74/460454174.db2.gz IQTMSBXPNKRYPE-XMSQKQJNSA-N 2 2 337.511 3.120 20 0 EGADLP O=C(CCCn1cc[nH+]c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000623275036 460471827 /nfs/dbraw/zinc/47/18/27/460471827.db2.gz LIWDTXKXJWDDDP-UHFFFAOYSA-N 2 2 340.471 3.330 20 0 EGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(OC)c1OC ZINC000631626926 460478406 /nfs/dbraw/zinc/47/84/06/460478406.db2.gz ZLOVUHRYAVGQHB-INIZCTEOSA-N 2 2 329.444 3.478 20 0 EGADLP C[C@@H](N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000631662010 460496968 /nfs/dbraw/zinc/49/69/68/460496968.db2.gz WNMOUPDPNPXEQJ-DOMZBBRYSA-N 2 2 340.393 3.392 20 0 EGADLP Fc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)co1 ZINC000629534405 460799559 /nfs/dbraw/zinc/79/95/59/460799559.db2.gz YJEJMDWGSVINES-KSSFIOAISA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)co1 ZINC000629534405 460799564 /nfs/dbraw/zinc/79/95/64/460799564.db2.gz YJEJMDWGSVINES-KSSFIOAISA-N 2 2 329.419 3.445 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1C(F)(F)F ZINC000629561333 460809933 /nfs/dbraw/zinc/80/99/33/460809933.db2.gz HSPKDTDCFBICFY-UKRRQHHQSA-N 2 2 341.352 3.333 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@H]1C(F)(F)F ZINC000629561333 460809937 /nfs/dbraw/zinc/80/99/37/460809937.db2.gz HSPKDTDCFBICFY-UKRRQHHQSA-N 2 2 341.352 3.333 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702881 460875456 /nfs/dbraw/zinc/87/54/56/460875456.db2.gz VRFAMEZJOUYDBQ-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702881 460875463 /nfs/dbraw/zinc/87/54/63/460875463.db2.gz VRFAMEZJOUYDBQ-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607729287 460892392 /nfs/dbraw/zinc/89/23/92/460892392.db2.gz NEVJQZCTWPOORZ-NVXWUHKLSA-N 2 2 337.427 3.255 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000607729287 460892398 /nfs/dbraw/zinc/89/23/98/460892398.db2.gz NEVJQZCTWPOORZ-NVXWUHKLSA-N 2 2 337.427 3.255 20 0 EGADLP CCCOc1cncc(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)c1 ZINC000629734255 460895426 /nfs/dbraw/zinc/89/54/26/460895426.db2.gz LRXVZURXUDNGEL-UHFFFAOYSA-N 2 2 337.427 3.053 20 0 EGADLP c1cn(Cc2ccc(-c3ccc(NCC4CCOCC4)[nH+]c3)cc2)c[nH+]1 ZINC000629742754 460901234 /nfs/dbraw/zinc/90/12/34/460901234.db2.gz WGSLYZAIHDJPQC-UHFFFAOYSA-N 2 2 348.450 3.254 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cs2)cc1 ZINC000608061324 460973882 /nfs/dbraw/zinc/97/38/82/460973882.db2.gz ORIYFFWWKZQTBA-DZGCQCFKSA-N 2 2 331.485 3.391 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cs2)cc1 ZINC000608061324 460973891 /nfs/dbraw/zinc/97/38/91/460973891.db2.gz ORIYFFWWKZQTBA-DZGCQCFKSA-N 2 2 331.485 3.391 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635939016 460982767 /nfs/dbraw/zinc/98/27/67/460982767.db2.gz YAVUKKGKASIIGK-SJORKVTESA-N 2 2 343.475 3.441 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ncc1Br ZINC000628281430 461071914 /nfs/dbraw/zinc/07/19/14/461071914.db2.gz YWBOFJMABCSXEO-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ncc1Br ZINC000628281430 461071919 /nfs/dbraw/zinc/07/19/19/461071919.db2.gz YWBOFJMABCSXEO-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ncc1Br ZINC000628281430 461071923 /nfs/dbraw/zinc/07/19/23/461071923.db2.gz YWBOFJMABCSXEO-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ncc1Br ZINC000628281430 461071927 /nfs/dbraw/zinc/07/19/27/461071927.db2.gz YWBOFJMABCSXEO-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641115528 461118999 /nfs/dbraw/zinc/11/89/99/461118999.db2.gz QHJNWXIAFUKKAP-UHFFFAOYSA-N 2 2 341.503 3.436 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2[nH+]1 ZINC000668151723 461137229 /nfs/dbraw/zinc/13/72/29/461137229.db2.gz NQNSHWHZUBOCLF-HNNXBMFYSA-N 2 2 343.456 3.129 20 0 EGADLP Fc1cc(Br)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1F ZINC000652335418 461138172 /nfs/dbraw/zinc/13/81/72/461138172.db2.gz GMDYCTCGMQYJBQ-UHFFFAOYSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1cc(Br)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1F ZINC000652335418 461138179 /nfs/dbraw/zinc/13/81/79/461138179.db2.gz GMDYCTCGMQYJBQ-UHFFFAOYSA-N 2 2 345.231 3.444 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)on2)cc1 ZINC000662247474 461141872 /nfs/dbraw/zinc/14/18/72/461141872.db2.gz ZMSUTBVIHPPARY-UHFFFAOYSA-N 2 2 341.455 3.314 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000652353587 461146616 /nfs/dbraw/zinc/14/66/16/461146616.db2.gz SPSHCRYPYJNVFY-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000652353587 461146618 /nfs/dbraw/zinc/14/66/18/461146618.db2.gz SPSHCRYPYJNVFY-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)c1 ZINC000652352227 461146823 /nfs/dbraw/zinc/14/68/23/461146823.db2.gz VEPVQWUUPPNCCN-KXBFYZLASA-N 2 2 343.496 3.380 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)c1 ZINC000652352227 461146833 /nfs/dbraw/zinc/14/68/33/461146833.db2.gz VEPVQWUUPPNCCN-KXBFYZLASA-N 2 2 343.496 3.380 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364119 461158212 /nfs/dbraw/zinc/15/82/12/461158212.db2.gz YSGONTKKXGCKCY-GRYCIOLGSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364119 461158221 /nfs/dbraw/zinc/15/82/21/461158221.db2.gz YSGONTKKXGCKCY-GRYCIOLGSA-N 2 2 349.422 3.023 20 0 EGADLP CC(C)c1cc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000630545737 461180563 /nfs/dbraw/zinc/18/05/63/461180563.db2.gz NACMBBCURFGMSF-QGZVFWFLSA-N 2 2 346.519 3.318 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638017091 461198506 /nfs/dbraw/zinc/19/85/06/461198506.db2.gz BXDAJKCNXNDIGZ-WBVHZDCISA-N 2 2 327.428 3.225 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638017091 461198513 /nfs/dbraw/zinc/19/85/13/461198513.db2.gz BXDAJKCNXNDIGZ-WBVHZDCISA-N 2 2 327.428 3.225 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022081 461201887 /nfs/dbraw/zinc/20/18/87/461201887.db2.gz HBWQCXRFYOOONL-PKOBYXMFSA-N 2 2 330.520 3.459 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000638022081 461201888 /nfs/dbraw/zinc/20/18/88/461201888.db2.gz HBWQCXRFYOOONL-PKOBYXMFSA-N 2 2 330.520 3.459 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638065930 461223382 /nfs/dbraw/zinc/22/33/82/461223382.db2.gz DEMGDIGTFAIQBI-ICSRJNTNSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638065930 461223393 /nfs/dbraw/zinc/22/33/93/461223393.db2.gz DEMGDIGTFAIQBI-ICSRJNTNSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638065930 461223404 /nfs/dbraw/zinc/22/34/04/461223404.db2.gz DEMGDIGTFAIQBI-ICSRJNTNSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638065930 461223414 /nfs/dbraw/zinc/22/34/14/461223414.db2.gz DEMGDIGTFAIQBI-ICSRJNTNSA-N 2 2 338.499 3.325 20 0 EGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc21 ZINC000668299279 461234641 /nfs/dbraw/zinc/23/46/41/461234641.db2.gz ZVTJDDKGUZVPMO-SFHVURJKSA-N 2 2 327.472 3.163 20 0 EGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc21 ZINC000668299279 461234649 /nfs/dbraw/zinc/23/46/49/461234649.db2.gz ZVTJDDKGUZVPMO-SFHVURJKSA-N 2 2 327.472 3.163 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638170665 461286277 /nfs/dbraw/zinc/28/62/77/461286277.db2.gz HRUZKTCZZDMSGR-BMGDILEWSA-N 2 2 341.455 3.471 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638170665 461286285 /nfs/dbraw/zinc/28/62/85/461286285.db2.gz HRUZKTCZZDMSGR-BMGDILEWSA-N 2 2 341.455 3.471 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292059 461351284 /nfs/dbraw/zinc/35/12/84/461351284.db2.gz UESMVWCHWJKXOD-FPOVZHCZSA-N 3 2 327.516 3.428 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292059 461351293 /nfs/dbraw/zinc/35/12/93/461351293.db2.gz UESMVWCHWJKXOD-FPOVZHCZSA-N 3 2 327.516 3.428 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1O ZINC000668615988 461355900 /nfs/dbraw/zinc/35/59/00/461355900.db2.gz CLHWAKHJDNIABX-IRXDYDNUSA-N 2 2 334.504 3.432 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1O ZINC000668615989 461356371 /nfs/dbraw/zinc/35/63/71/461356371.db2.gz CLHWAKHJDNIABX-SJORKVTESA-N 2 2 334.504 3.432 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655694707 461367849 /nfs/dbraw/zinc/36/78/49/461367849.db2.gz KCWODLRJTVOJPS-APWZRJJASA-N 2 2 332.488 3.378 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655704128 461376674 /nfs/dbraw/zinc/37/66/74/461376674.db2.gz QIPOAXQMNCNPEM-APWZRJJASA-N 2 2 332.488 3.379 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000655704442 461376816 /nfs/dbraw/zinc/37/68/16/461376816.db2.gz XWCZVZSLSDIRKB-UHFFFAOYSA-N 2 2 329.835 3.211 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000655727579 461396255 /nfs/dbraw/zinc/39/62/55/461396255.db2.gz PAFIASHYCZEWOZ-BXUZGUMPSA-N 2 2 328.378 3.008 20 0 EGADLP Clc1cccc(C2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655729294 461397035 /nfs/dbraw/zinc/39/70/35/461397035.db2.gz IXWDIZDIMXJDII-XUJQIHCRSA-N 2 2 334.891 3.429 20 0 EGADLP COCCCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655764545 461430598 /nfs/dbraw/zinc/43/05/98/461430598.db2.gz KQFBLCWBWJJITC-LEWJYISDSA-N 2 2 346.515 3.387 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655771317 461435443 /nfs/dbraw/zinc/43/54/43/461435443.db2.gz HMYFOPPKBBUKSR-OAHLLOKOSA-N 2 2 327.819 3.347 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000655771445 461435523 /nfs/dbraw/zinc/43/55/23/461435523.db2.gz KYNYNGVWLIJXMD-UHFFFAOYSA-N 2 2 335.455 3.312 20 0 EGADLP CO[C@@H](C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000638455698 461437073 /nfs/dbraw/zinc/43/70/73/461437073.db2.gz YAWKMDGIXYRLRV-SFTDATJTSA-N 2 2 346.515 3.163 20 0 EGADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc21 ZINC000653057334 461480273 /nfs/dbraw/zinc/48/02/73/461480273.db2.gz ZYQFPMHIZQMTOG-KRWDZBQOSA-N 2 2 338.455 3.032 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848300 461494841 /nfs/dbraw/zinc/49/48/41/461494841.db2.gz DCXVIEFZHRKIDX-SJJHQCBESA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000655848300 461494848 /nfs/dbraw/zinc/49/48/48/461494848.db2.gz DCXVIEFZHRKIDX-SJJHQCBESA-N 2 2 332.492 3.265 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848630 461495897 /nfs/dbraw/zinc/49/58/97/461495897.db2.gz JDMOQZGGINDXDJ-WMQCIHAUSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848630 461495902 /nfs/dbraw/zinc/49/59/02/461495902.db2.gz JDMOQZGGINDXDJ-WMQCIHAUSA-N 3 2 345.531 3.295 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(C)n2n1 ZINC000655848341 461495978 /nfs/dbraw/zinc/49/59/78/461495978.db2.gz FBFNHZYZFJOLLO-WBAXXEDZSA-N 2 2 327.476 3.014 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)c(C)n2n1 ZINC000655848341 461495983 /nfs/dbraw/zinc/49/59/83/461495983.db2.gz FBFNHZYZFJOLLO-WBAXXEDZSA-N 2 2 327.476 3.014 20 0 EGADLP Cc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCC[C@H](C)C1 ZINC000653089258 461496690 /nfs/dbraw/zinc/49/66/90/461496690.db2.gz CIOYNTYGOUXSKG-SMMRIJLZSA-N 2 2 345.531 3.258 20 0 EGADLP CCCc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000642341613 461500967 /nfs/dbraw/zinc/50/09/67/461500967.db2.gz ZZFTXPFTPWDBEG-JOCHJYFZSA-N 2 2 338.495 3.148 20 0 EGADLP CCCc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000642341613 461500971 /nfs/dbraw/zinc/50/09/71/461500971.db2.gz ZZFTXPFTPWDBEG-JOCHJYFZSA-N 2 2 338.495 3.148 20 0 EGADLP Brc1cnccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000631053552 461507289 /nfs/dbraw/zinc/50/72/89/461507289.db2.gz YSHFNMQWXNTTBX-UHFFFAOYSA-N 2 2 345.244 3.443 20 0 EGADLP CC[C@](C)(C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)OC ZINC000638639601 461514141 /nfs/dbraw/zinc/51/41/41/461514141.db2.gz LQENFRQDDHEZQU-PKOBYXMFSA-N 2 2 334.504 3.291 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000659980083 461526005 /nfs/dbraw/zinc/52/60/05/461526005.db2.gz QGFNVACTKFYFHS-HXUWFJFHSA-N 2 2 341.455 3.171 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000659980083 461526011 /nfs/dbraw/zinc/52/60/11/461526011.db2.gz QGFNVACTKFYFHS-HXUWFJFHSA-N 2 2 341.455 3.171 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)on1 ZINC000659980083 461526019 /nfs/dbraw/zinc/52/60/19/461526019.db2.gz QGFNVACTKFYFHS-HXUWFJFHSA-N 2 2 341.455 3.171 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)on1 ZINC000659980083 461526028 /nfs/dbraw/zinc/52/60/28/461526028.db2.gz QGFNVACTKFYFHS-HXUWFJFHSA-N 2 2 341.455 3.171 20 0 EGADLP COc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000638672408 461528492 /nfs/dbraw/zinc/52/84/92/461528492.db2.gz YCXKGSPOFYVBNA-IUODEOHRSA-N 2 2 337.514 3.386 20 0 EGADLP COc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000638672408 461528500 /nfs/dbraw/zinc/52/85/00/461528500.db2.gz YCXKGSPOFYVBNA-IUODEOHRSA-N 2 2 337.514 3.386 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638702230 461544664 /nfs/dbraw/zinc/54/46/64/461544664.db2.gz ZHEVLHXBMZFBFS-IEBWSBKVSA-N 2 2 335.455 3.178 20 0 EGADLP CC(C)(C[NH2+]Cc1ccncc1Br)C[NH+]1CCCC1 ZINC000631119296 461565285 /nfs/dbraw/zinc/56/52/85/461565285.db2.gz AGEDJXDHFTUYHL-UHFFFAOYSA-N 2 2 326.282 3.056 20 0 EGADLP COc1ccc(F)cc1C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663337598 461565321 /nfs/dbraw/zinc/56/53/21/461565321.db2.gz AFMAQZHWRYVTJX-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cn2cc[nH+]c12 ZINC000647221381 461570955 /nfs/dbraw/zinc/57/09/55/461570955.db2.gz WZQNHRYSOYKVEN-CYBMUJFWSA-N 2 2 337.427 3.233 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cn2cc[nH+]c12 ZINC000647221381 461570961 /nfs/dbraw/zinc/57/09/61/461570961.db2.gz WZQNHRYSOYKVEN-CYBMUJFWSA-N 2 2 337.427 3.233 20 0 EGADLP Brc1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000663345657 461574279 /nfs/dbraw/zinc/57/42/79/461574279.db2.gz MUOHHLPBJOPEJF-GFCCVEGCSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663345657 461574287 /nfs/dbraw/zinc/57/42/87/461574287.db2.gz MUOHHLPBJOPEJF-GFCCVEGCSA-N 2 2 344.322 3.117 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cccc4c3OCCCO4)cn21 ZINC000647262511 461597226 /nfs/dbraw/zinc/59/72/26/461597226.db2.gz BFAFUZVCWAMMIE-UHFFFAOYSA-N 2 2 337.423 3.136 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643061693 461598429 /nfs/dbraw/zinc/59/84/29/461598429.db2.gz IEPQFJDAZBXODO-WMZOPIPTSA-N 2 2 345.487 3.020 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643061693 461598442 /nfs/dbraw/zinc/59/84/42/461598442.db2.gz IEPQFJDAZBXODO-WMZOPIPTSA-N 2 2 345.487 3.020 20 0 EGADLP CCN(CC)c1ncc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)s1 ZINC000647262877 461599502 /nfs/dbraw/zinc/59/95/02/461599502.db2.gz VYWXPQDGUJWNSC-UHFFFAOYSA-N 2 2 343.500 3.278 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]CCc1cn3c(cccc3C)[nH+]1)CC2 ZINC000647263072 461599594 /nfs/dbraw/zinc/59/95/94/461599594.db2.gz DPLFLPNKSTZBQM-GOSISDBHSA-N 2 2 335.451 3.341 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000663383493 461605073 /nfs/dbraw/zinc/60/50/73/461605073.db2.gz GLVSKXVYCGDLPJ-UHFFFAOYSA-N 2 2 347.466 3.051 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000656198504 461644913 /nfs/dbraw/zinc/64/49/13/461644913.db2.gz AOSOUTAEVYHQHY-LTIDMASMSA-N 2 2 347.507 3.089 20 0 EGADLP c1nnc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466721 461654407 /nfs/dbraw/zinc/65/44/07/461654407.db2.gz XHGJHOWFXMPHAY-AEFFLSMTSA-N 2 2 331.508 3.138 20 0 EGADLP c1nnc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466721 461654414 /nfs/dbraw/zinc/65/44/14/461654414.db2.gz XHGJHOWFXMPHAY-AEFFLSMTSA-N 2 2 331.508 3.138 20 0 EGADLP C[NH+]1CCC(n2cc(NCc3cn4cc(Cl)ccc4[nH+]3)cn2)CC1 ZINC000631225565 461656375 /nfs/dbraw/zinc/65/63/75/461656375.db2.gz MHDITTIEKCRAGD-UHFFFAOYSA-N 2 2 344.850 3.063 20 0 EGADLP c1sc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)nc1-c1ccccc1 ZINC000656260445 461683843 /nfs/dbraw/zinc/68/38/43/461683843.db2.gz PIEFNFWDRIKTHA-KRWDZBQOSA-N 2 2 343.496 3.153 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000656262225 461686913 /nfs/dbraw/zinc/68/69/13/461686913.db2.gz RGPBUJOVXADDRV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000656262225 461686919 /nfs/dbraw/zinc/68/69/19/461686919.db2.gz RGPBUJOVXADDRV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000656262225 461686924 /nfs/dbraw/zinc/68/69/24/461686924.db2.gz RGPBUJOVXADDRV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000656262225 461686929 /nfs/dbraw/zinc/68/69/29/461686929.db2.gz RGPBUJOVXADDRV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP c1c[nH+]c2c(c1)CC[C@@H](Nc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000643348300 461699050 /nfs/dbraw/zinc/69/90/50/461699050.db2.gz KWCXWWRGVQBCIZ-LJQANCHMSA-N 2 2 337.467 3.273 20 0 EGADLP COCCc1ncc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000639110059 461734838 /nfs/dbraw/zinc/73/48/38/461734838.db2.gz KRVFBHZHPCUSJV-UHFFFAOYSA-N 2 2 347.484 3.079 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000639111159 461735222 /nfs/dbraw/zinc/73/52/22/461735222.db2.gz URTWOFGHFQJJFD-UHFFFAOYSA-N 2 2 342.439 3.451 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCO[C@@H]([C@H](C)[NH3+])C3)ccc21 ZINC000647508509 461741057 /nfs/dbraw/zinc/74/10/57/461741057.db2.gz POTSSRSWKNWNSE-YCRPNKLZSA-N 2 2 337.467 3.362 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@H+]3CCO[C@@H]([C@H](C)[NH3+])C3)ccc21 ZINC000647508509 461741064 /nfs/dbraw/zinc/74/10/64/461741064.db2.gz POTSSRSWKNWNSE-YCRPNKLZSA-N 2 2 337.467 3.362 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000647530815 461748567 /nfs/dbraw/zinc/74/85/67/461748567.db2.gz ICFMGUFFPSUZLU-UHFFFAOYSA-N 2 2 349.276 3.152 20 0 EGADLP COCCC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000643506603 461749039 /nfs/dbraw/zinc/74/90/39/461749039.db2.gz CYSOSDHOSCZXAP-MRXNPFEDSA-N 2 2 341.293 3.258 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cnn1-c1cccc(Cl)c1 ZINC000643537676 461757190 /nfs/dbraw/zinc/75/71/90/461757190.db2.gz OEBYGGAURPSBLA-CQDKDKBSSA-N 2 2 336.842 3.185 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000643538578 461759097 /nfs/dbraw/zinc/75/90/97/461759097.db2.gz NYIRTSSODVSNII-PGUXBMHVSA-N 2 2 327.241 3.116 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000643538356 461759244 /nfs/dbraw/zinc/75/92/44/461759244.db2.gz HURCERCLACLJIJ-KCQAQPDRSA-N 2 2 332.341 3.326 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OC(F)F ZINC000647554284 461764631 /nfs/dbraw/zinc/76/46/31/461764631.db2.gz VYPRBBLQNGYLAR-OAHLLOKOSA-N 2 2 326.387 3.061 20 0 EGADLP Fc1ccc2ccc(C[NH2+]Cc3c[nH+]c4n3CCCC4)nc2c1F ZINC000639149481 461765096 /nfs/dbraw/zinc/76/50/96/461765096.db2.gz PZGJPFGDEOJXFZ-UHFFFAOYSA-N 2 2 328.366 3.336 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660422489 461768175 /nfs/dbraw/zinc/76/81/75/461768175.db2.gz GPXPJNNKYMCQIE-GDBMZVCRSA-N 2 2 332.410 3.279 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660422489 461768182 /nfs/dbraw/zinc/76/81/82/461768182.db2.gz GPXPJNNKYMCQIE-GDBMZVCRSA-N 2 2 332.410 3.279 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1cc(CO)cc(C)[nH+]1 ZINC000663747270 461786502 /nfs/dbraw/zinc/78/65/02/461786502.db2.gz UEHGREDTIBORGG-QGZVFWFLSA-N 2 2 336.439 3.209 20 0 EGADLP Cc1ccc2c(C)cc(NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)[nH+]c2c1 ZINC000643860178 461819483 /nfs/dbraw/zinc/81/94/83/461819483.db2.gz CBCYOYZJXODUIM-IAGOWNOFSA-N 2 2 327.472 3.185 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828253 461826498 /nfs/dbraw/zinc/82/64/98/461826498.db2.gz JYUCQJQFTOACDD-KRWDZBQOSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828253 461826510 /nfs/dbraw/zinc/82/65/10/461826510.db2.gz JYUCQJQFTOACDD-KRWDZBQOSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828253 461826518 /nfs/dbraw/zinc/82/65/18/461826518.db2.gz JYUCQJQFTOACDD-KRWDZBQOSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828253 461826525 /nfs/dbraw/zinc/82/65/25/461826525.db2.gz JYUCQJQFTOACDD-KRWDZBQOSA-N 2 2 344.499 3.040 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000643960504 461846587 /nfs/dbraw/zinc/84/65/87/461846587.db2.gz XROYYCAGIIRLRC-YUELXQCFSA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000643960504 461846593 /nfs/dbraw/zinc/84/65/93/461846593.db2.gz XROYYCAGIIRLRC-YUELXQCFSA-N 2 2 329.271 3.071 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647847129 461857747 /nfs/dbraw/zinc/85/77/47/461857747.db2.gz AGSQCQXLOSDEFU-LJQANCHMSA-N 2 2 341.455 3.046 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647847129 461857754 /nfs/dbraw/zinc/85/77/54/461857754.db2.gz AGSQCQXLOSDEFU-LJQANCHMSA-N 2 2 341.455 3.046 20 0 EGADLP Cc1cc(CO)cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)[nH+]1 ZINC000647857897 461860822 /nfs/dbraw/zinc/86/08/22/461860822.db2.gz RGOMOHAEKLAWMB-UHFFFAOYSA-N 2 2 347.409 3.237 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879870 461868914 /nfs/dbraw/zinc/86/89/14/461868914.db2.gz PYGGYPWQWFYNJO-XHDPSFHLSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879870 461868918 /nfs/dbraw/zinc/86/89/18/461868918.db2.gz PYGGYPWQWFYNJO-XHDPSFHLSA-N 2 2 342.270 3.006 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OCC ZINC000666946816 461882791 /nfs/dbraw/zinc/88/27/91/461882791.db2.gz RLJCSUVVBMHCHA-KBPBESRZSA-N 2 2 344.858 3.317 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+]C2(Cc3cccc(F)c3)CCOCC2)C1 ZINC000660640695 461896357 /nfs/dbraw/zinc/89/63/57/461896357.db2.gz SDJFLUWIQIWHPX-QZTJIDSGSA-N 2 2 348.506 3.485 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995132 461902579 /nfs/dbraw/zinc/90/25/79/461902579.db2.gz DQHVRSWCKMOHAD-YZGWKJHDSA-N 3 2 327.516 3.304 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995132 461902588 /nfs/dbraw/zinc/90/25/88/461902588.db2.gz DQHVRSWCKMOHAD-YZGWKJHDSA-N 3 2 327.516 3.304 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970136 461914239 /nfs/dbraw/zinc/91/42/39/461914239.db2.gz DYFXRPSUQVATBZ-CABCVRRESA-N 2 2 336.373 3.110 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970136 461914245 /nfs/dbraw/zinc/91/42/45/461914245.db2.gz DYFXRPSUQVATBZ-CABCVRRESA-N 2 2 336.373 3.110 20 0 EGADLP Fc1ccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660674268 461920517 /nfs/dbraw/zinc/92/05/17/461920517.db2.gz OUKBALJZMASIHO-UHFFFAOYSA-N 2 2 328.431 3.459 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000660699530 461930524 /nfs/dbraw/zinc/93/05/24/461930524.db2.gz XWHBDSBXBKBLNJ-ARJAWSKDSA-N 2 2 336.907 3.426 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000667099623 461949285 /nfs/dbraw/zinc/94/92/85/461949285.db2.gz JAMXCVDTCQYQBE-CQSZACIVSA-N 2 2 326.400 3.138 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000644569221 461989493 /nfs/dbraw/zinc/98/94/93/461989493.db2.gz BPENSCWUKFVPDA-UXHICEINSA-N 2 2 342.483 3.044 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C[C@]3(C)c3ccccc3)c2cc1C ZINC000644574750 461992848 /nfs/dbraw/zinc/99/28/48/461992848.db2.gz DJGODMNFWNBDFA-BVYCBKJFSA-N 2 2 349.478 3.334 20 0 EGADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853378 461996919 /nfs/dbraw/zinc/99/69/19/461996919.db2.gz WQBMGMWQZPVRMQ-HUUCEWRRSA-N 2 2 342.487 3.121 20 0 EGADLP FC(F)(F)Oc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657313985 462038586 /nfs/dbraw/zinc/03/85/86/462038586.db2.gz PETOYYWFQHQPFG-UHFFFAOYSA-N 2 2 325.334 3.060 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)co2)c1 ZINC000639660638 462044448 /nfs/dbraw/zinc/04/44/48/462044448.db2.gz WCLWLRUPEAEYAF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)co2)c1 ZINC000639660638 462044455 /nfs/dbraw/zinc/04/44/55/462044455.db2.gz WCLWLRUPEAEYAF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)co2)c1 ZINC000639660638 462044462 /nfs/dbraw/zinc/04/44/62/462044462.db2.gz WCLWLRUPEAEYAF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)co2)c1 ZINC000639660638 462044468 /nfs/dbraw/zinc/04/44/68/462044468.db2.gz WCLWLRUPEAEYAF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP C[NH+](C)C1(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000639674306 462051594 /nfs/dbraw/zinc/05/15/94/462051594.db2.gz SLSDQYNYEZKZDD-UHFFFAOYSA-N 2 2 326.400 3.090 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CCC2 ZINC000657358302 462068615 /nfs/dbraw/zinc/06/86/15/462068615.db2.gz JSAAXQHIWRWUPP-UHFFFAOYSA-N 3 2 338.499 3.495 20 0 EGADLP Brc1cccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000657362307 462071907 /nfs/dbraw/zinc/07/19/07/462071907.db2.gz TYDTZTJODDPLNM-UHFFFAOYSA-N 2 2 346.272 3.413 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639724739 462076746 /nfs/dbraw/zinc/07/67/46/462076746.db2.gz DJELBTXYWRRGOZ-OAQYLSRUSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639724739 462076753 /nfs/dbraw/zinc/07/67/53/462076753.db2.gz DJELBTXYWRRGOZ-OAQYLSRUSA-N 3 2 341.543 3.459 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657384196 462087236 /nfs/dbraw/zinc/08/72/36/462087236.db2.gz MYLOQHFCYUUAMY-UHFFFAOYSA-N 2 2 330.394 3.083 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CCO1 ZINC000648408512 462105344 /nfs/dbraw/zinc/10/53/44/462105344.db2.gz ZYWIGORELGSMDO-QWFCFKBJSA-N 2 2 332.488 3.379 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657412140 462105945 /nfs/dbraw/zinc/10/59/45/462105945.db2.gz BVCDNRCTKUSDFW-MRXNPFEDSA-N 2 2 339.487 3.003 20 0 EGADLP c1cc(O[C@H]2CCOC2)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000667495032 462112686 /nfs/dbraw/zinc/11/26/86/462112686.db2.gz WAGVUDKTFGIPSV-NRFANRHFSA-N 2 2 344.499 3.305 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000654312126 462155943 /nfs/dbraw/zinc/15/59/43/462155943.db2.gz NBOZZCYACNXWFG-KURKYZTESA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000654312126 462155948 /nfs/dbraw/zinc/15/59/48/462155948.db2.gz NBOZZCYACNXWFG-KURKYZTESA-N 2 2 349.906 3.076 20 0 EGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629216 462206756 /nfs/dbraw/zinc/20/67/56/462206756.db2.gz VARITUOJCOFWKU-MUGJNUQGSA-N 2 2 336.483 3.218 20 0 EGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629216 462206762 /nfs/dbraw/zinc/20/67/62/462206762.db2.gz VARITUOJCOFWKU-MUGJNUQGSA-N 2 2 336.483 3.218 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@H](C)COC)cc1 ZINC000667695605 462217855 /nfs/dbraw/zinc/21/78/55/462217855.db2.gz XEZJIDIVNDSOAG-QRQLOZEOSA-N 2 2 332.488 3.159 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@H](C)COC)cc1 ZINC000667695605 462217861 /nfs/dbraw/zinc/21/78/61/462217861.db2.gz XEZJIDIVNDSOAG-QRQLOZEOSA-N 2 2 332.488 3.159 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O[C@H](C)COC)cc1 ZINC000667695605 462217866 /nfs/dbraw/zinc/21/78/66/462217866.db2.gz XEZJIDIVNDSOAG-QRQLOZEOSA-N 2 2 332.488 3.159 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O[C@H](C)COC)cc1 ZINC000667695605 462217870 /nfs/dbraw/zinc/21/78/70/462217870.db2.gz XEZJIDIVNDSOAG-QRQLOZEOSA-N 2 2 332.488 3.159 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000648756647 462263612 /nfs/dbraw/zinc/26/36/12/462263612.db2.gz GYEIZARVOCTVMD-GOSISDBHSA-N 2 2 349.563 3.434 20 0 EGADLP CCOC1CCC([NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000657834475 462290217 /nfs/dbraw/zinc/29/02/17/462290217.db2.gz PMWGATDIMZCVNL-UHFFFAOYSA-N 2 2 326.550 3.285 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCn4nccc43)CC2)cc1 ZINC000657843271 462294306 /nfs/dbraw/zinc/29/43/06/462294306.db2.gz DJYYLKUARWPQRP-GOSISDBHSA-N 2 2 328.435 3.111 20 0 EGADLP C[N@@H+]1CC[C@H](NCC[NH+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385446 462308350 /nfs/dbraw/zinc/30/83/50/462308350.db2.gz KLBXIWHYLRUYFS-GOTSBHOMSA-N 2 2 349.522 3.470 20 0 EGADLP C[N@H+]1CC[C@H](NCC[NH+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385446 462308354 /nfs/dbraw/zinc/30/83/54/462308354.db2.gz KLBXIWHYLRUYFS-GOTSBHOMSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@H](NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385446 462308360 /nfs/dbraw/zinc/30/83/60/462308360.db2.gz KLBXIWHYLRUYFS-GOTSBHOMSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@H](NCC[N@H+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385446 462308364 /nfs/dbraw/zinc/30/83/64/462308364.db2.gz KLBXIWHYLRUYFS-GOTSBHOMSA-N 2 2 349.522 3.470 20 0 EGADLP COc1cc(OC)c(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1F ZINC000651731415 462318839 /nfs/dbraw/zinc/31/88/39/462318839.db2.gz NFTJYGYRNXVPFM-UHFFFAOYSA-N 2 2 326.456 3.441 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000667914102 462319458 /nfs/dbraw/zinc/31/94/58/462319458.db2.gz ZMDAGLYLYWXWTO-KRWDZBQOSA-N 2 2 328.456 3.179 20 0 EGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641585 462343129 /nfs/dbraw/zinc/34/31/29/462343129.db2.gz DFTWCFISOJEAEN-WFASDCNBSA-N 2 2 331.287 3.443 20 0 EGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641585 462343133 /nfs/dbraw/zinc/34/31/33/462343133.db2.gz DFTWCFISOJEAEN-WFASDCNBSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641585 462343136 /nfs/dbraw/zinc/34/31/36/462343136.db2.gz DFTWCFISOJEAEN-WFASDCNBSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661641585 462343139 /nfs/dbraw/zinc/34/31/39/462343139.db2.gz DFTWCFISOJEAEN-WFASDCNBSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485455 462345267 /nfs/dbraw/zinc/34/52/67/462345267.db2.gz FOVHKJWIRQKHBT-CRAIPNDOSA-N 2 2 325.456 3.491 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485455 462345274 /nfs/dbraw/zinc/34/52/74/462345274.db2.gz FOVHKJWIRQKHBT-CRAIPNDOSA-N 2 2 325.456 3.491 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCCn2nccc21 ZINC000658022732 462349661 /nfs/dbraw/zinc/34/96/61/462349661.db2.gz DDHRUDLXBYWZFJ-HNNXBMFYSA-N 2 2 327.819 3.347 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000658070429 462367235 /nfs/dbraw/zinc/36/72/35/462367235.db2.gz YWQCUATWZKINAC-RVKKMQEKSA-N 2 2 333.907 3.239 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000658070429 462367240 /nfs/dbraw/zinc/36/72/40/462367240.db2.gz YWQCUATWZKINAC-RVKKMQEKSA-N 2 2 333.907 3.239 20 0 EGADLP CC[C@@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)[C@H]1CCCC[NH2+]1 ZINC000665261385 462374360 /nfs/dbraw/zinc/37/43/60/462374360.db2.gz AVUPDLYUYITYCK-QZTJIDSGSA-N 2 2 329.444 3.361 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000668075013 462404860 /nfs/dbraw/zinc/40/48/60/462404860.db2.gz HCXLAODXSXEQBT-UHFFFAOYSA-N 2 2 326.444 3.044 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640571797 462444462 /nfs/dbraw/zinc/44/44/62/462444462.db2.gz VZYNZXULWARUNE-SJORKVTESA-N 2 2 338.373 3.057 20 0 EGADLP COc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2ccccn2)cc1 ZINC000652135274 462445173 /nfs/dbraw/zinc/44/51/73/462445173.db2.gz LWGUAYDKVWTJNE-FQEVSTJZSA-N 2 2 325.456 3.255 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000645852460 462445405 /nfs/dbraw/zinc/44/54/05/462445405.db2.gz SWMAHYXDKYPACJ-MRXNPFEDSA-N 2 2 335.245 3.018 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000655085729 462477107 /nfs/dbraw/zinc/47/71/07/462477107.db2.gz WXUJOSYTEARDTC-GOSISDBHSA-N 2 2 344.503 3.221 20 0 EGADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000186807442 527030614 /nfs/dbraw/zinc/03/06/14/527030614.db2.gz VIMOTDHLLFGQPK-UHFFFAOYSA-N 2 2 342.487 3.038 20 0 EGADLP CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]CCCn1cc[nH+]c1 ZINC000181667832 527224759 /nfs/dbraw/zinc/22/47/59/527224759.db2.gz NPXUWKQWFSXUCK-UHFFFAOYSA-N 2 2 342.365 3.134 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173883184 527401904 /nfs/dbraw/zinc/40/19/04/527401904.db2.gz ALAGHCNYEONLPT-GOSISDBHSA-N 2 2 330.472 3.076 20 0 EGADLP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173883184 527401909 /nfs/dbraw/zinc/40/19/09/527401909.db2.gz ALAGHCNYEONLPT-GOSISDBHSA-N 2 2 330.472 3.076 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173883198 527403472 /nfs/dbraw/zinc/40/34/72/527403472.db2.gz ALAGHCNYEONLPT-SFHVURJKSA-N 2 2 330.472 3.076 20 0 EGADLP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173883198 527403476 /nfs/dbraw/zinc/40/34/76/527403476.db2.gz ALAGHCNYEONLPT-SFHVURJKSA-N 2 2 330.472 3.076 20 0 EGADLP CC[NH+](CC)CCSCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132205478 528164172 /nfs/dbraw/zinc/16/41/72/528164172.db2.gz YXXWBNIVBDZEES-UHFFFAOYSA-N 2 2 339.505 3.272 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000131831173 528532929 /nfs/dbraw/zinc/53/29/29/528532929.db2.gz ZOXDFXFQHFLOLM-ZIAGYGMSSA-N 2 2 340.899 3.018 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3Cl)C2)CC1 ZINC000130423376 529152567 /nfs/dbraw/zinc/15/25/67/529152567.db2.gz GYKYEAPSRZGYRY-INIZCTEOSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3Cl)C2)CC1 ZINC000130423376 529152568 /nfs/dbraw/zinc/15/25/68/529152568.db2.gz GYKYEAPSRZGYRY-INIZCTEOSA-N 2 2 342.314 3.205 20 0 EGADLP CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186327422 535699092 /nfs/dbraw/zinc/69/90/92/535699092.db2.gz FGLFSWXRGLJWSL-LJQANCHMSA-N 2 2 348.450 3.071 20 0 EGADLP CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186327422 535699096 /nfs/dbraw/zinc/69/90/96/535699096.db2.gz FGLFSWXRGLJWSL-LJQANCHMSA-N 2 2 348.450 3.071 20 0 EGADLP CCc1cccnc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000356839508 535990427 /nfs/dbraw/zinc/99/04/27/535990427.db2.gz DUUGGLDZVBRSSH-MAUKXSAKSA-N 2 2 339.487 3.352 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Cl)o3)[nH+]c2)CC1 ZINC000344904334 536115283 /nfs/dbraw/zinc/11/52/83/536115283.db2.gz VRMUPCYKLADPLM-UHFFFAOYSA-N 2 2 334.851 3.471 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184986 546654094 /nfs/dbraw/zinc/65/40/94/546654094.db2.gz SEKHAQZVARCMHW-XLIONFOSSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184986 546654100 /nfs/dbraw/zinc/65/41/00/546654100.db2.gz SEKHAQZVARCMHW-XLIONFOSSA-N 3 2 340.515 3.470 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000090187391 546654403 /nfs/dbraw/zinc/65/44/03/546654403.db2.gz HSOFJPSMULWJGD-LJQANCHMSA-N 2 2 346.515 3.215 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000090187391 546654406 /nfs/dbraw/zinc/65/44/06/546654406.db2.gz HSOFJPSMULWJGD-LJQANCHMSA-N 2 2 346.515 3.215 20 0 EGADLP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000121411294 546724795 /nfs/dbraw/zinc/72/47/95/546724795.db2.gz HELSXCOJYFBPSA-MAEOIBBWSA-N 2 2 336.907 3.445 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134924632 546831211 /nfs/dbraw/zinc/83/12/11/546831211.db2.gz XNXJQVKCOYGOBY-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134924632 546831217 /nfs/dbraw/zinc/83/12/17/546831217.db2.gz XNXJQVKCOYGOBY-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134924632 546831228 /nfs/dbraw/zinc/83/12/28/546831228.db2.gz XNXJQVKCOYGOBY-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP CCc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310900693 547462172 /nfs/dbraw/zinc/46/21/72/547462172.db2.gz PBVMQUJXQKOSHN-RTBURBONSA-N 2 2 336.483 3.306 20 0 EGADLP CCc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000310900693 547462175 /nfs/dbraw/zinc/46/21/75/547462175.db2.gz PBVMQUJXQKOSHN-RTBURBONSA-N 2 2 336.483 3.306 20 0 EGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000387452667 547823218 /nfs/dbraw/zinc/82/32/18/547823218.db2.gz QTYHGBHPUOUZJI-GOSISDBHSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000387452667 547823224 /nfs/dbraw/zinc/82/32/24/547823224.db2.gz QTYHGBHPUOUZJI-GOSISDBHSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cc(Nc2ccc(CC[NH+]3CCSCC3)cc2)nc(C)[nH+]1 ZINC000436294151 547903823 /nfs/dbraw/zinc/90/38/23/547903823.db2.gz PSESGRPVIHDKMT-UHFFFAOYSA-N 2 2 328.485 3.428 20 0 EGADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCO1 ZINC000533101172 548041580 /nfs/dbraw/zinc/04/15/80/548041580.db2.gz XVMDZSWARZSEBS-GFCCVEGCSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCO1 ZINC000533101172 548041585 /nfs/dbraw/zinc/04/15/85/548041585.db2.gz XVMDZSWARZSEBS-GFCCVEGCSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536841368 548057592 /nfs/dbraw/zinc/05/75/92/548057592.db2.gz SSNQSCJSDLGJAY-VOQZNFBZSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000536841368 548057596 /nfs/dbraw/zinc/05/75/96/548057596.db2.gz SSNQSCJSDLGJAY-VOQZNFBZSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536841368 548057600 /nfs/dbraw/zinc/05/76/00/548057600.db2.gz SSNQSCJSDLGJAY-VOQZNFBZSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536841368 548057604 /nfs/dbraw/zinc/05/76/04/548057604.db2.gz SSNQSCJSDLGJAY-VOQZNFBZSA-N 2 2 335.495 3.283 20 0 EGADLP CC1(C)C[C@@H](NCc2c[nH+]c3n2CCCC3)C[N@@H+]1Cc1ccccc1 ZINC000671195039 548260621 /nfs/dbraw/zinc/26/06/21/548260621.db2.gz KLKVGCUIOHLMOM-GOSISDBHSA-N 2 2 338.499 3.362 20 0 EGADLP CC1(C)C[C@@H](NCc2c[nH+]c3n2CCCC3)C[N@H+]1Cc1ccccc1 ZINC000671195039 548260625 /nfs/dbraw/zinc/26/06/25/548260625.db2.gz KLKVGCUIOHLMOM-GOSISDBHSA-N 2 2 338.499 3.362 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000673816819 548633728 /nfs/dbraw/zinc/63/37/28/548633728.db2.gz DKHQPKZQFBZXCA-GOSISDBHSA-N 2 2 343.471 3.181 20 0 EGADLP Cc1cccn2cc(CN3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)[nH+]c12 ZINC000674251747 548713069 /nfs/dbraw/zinc/71/30/69/548713069.db2.gz PHCKQTHDFLGVFQ-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2cc(CN3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)[nH+]c12 ZINC000674251747 548713072 /nfs/dbraw/zinc/71/30/72/548713072.db2.gz PHCKQTHDFLGVFQ-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000674747138 548789922 /nfs/dbraw/zinc/78/99/22/548789922.db2.gz WUXSBZCZDOBJGM-SFHVURJKSA-N 2 2 332.451 3.376 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000674747138 548789930 /nfs/dbraw/zinc/78/99/30/548789930.db2.gz WUXSBZCZDOBJGM-SFHVURJKSA-N 2 2 332.451 3.376 20 0 EGADLP Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nc1 ZINC000675552500 548935701 /nfs/dbraw/zinc/93/57/01/548935701.db2.gz GEHVOKGZZUIIMN-UHFFFAOYSA-N 2 2 344.890 3.085 20 0 EGADLP COc1ccc(C[C@](C)([NH3+])CNc2cc[nH+]c(C(C)(C)C)n2)cc1 ZINC000677232093 549233944 /nfs/dbraw/zinc/23/39/44/549233944.db2.gz REBJPOPTMLSGGB-IBGZPJMESA-N 2 2 328.460 3.155 20 0 EGADLP O=C(CCCn1cc[nH+]c1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000677472681 549276364 /nfs/dbraw/zinc/27/63/64/549276364.db2.gz PKELBYSYQNOZPQ-UHFFFAOYSA-N 2 2 347.422 3.217 20 0 EGADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000678126955 549403112 /nfs/dbraw/zinc/40/31/12/549403112.db2.gz CIYKPSXGFGJULA-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235492 549435993 /nfs/dbraw/zinc/43/59/93/549435993.db2.gz KLFLJXXISZXSME-QGZVFWFLSA-N 2 2 337.427 3.119 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235492 549435997 /nfs/dbraw/zinc/43/59/97/549435997.db2.gz KLFLJXXISZXSME-QGZVFWFLSA-N 2 2 337.427 3.119 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000678235520 549436365 /nfs/dbraw/zinc/43/63/65/549436365.db2.gz KSAAICQJPCQWJM-SFHVURJKSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000678235520 549436368 /nfs/dbraw/zinc/43/63/68/549436368.db2.gz KSAAICQJPCQWJM-SFHVURJKSA-N 2 2 325.391 3.045 20 0 EGADLP Cc1cccn2c(CN3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)c[nH+]c12 ZINC000678279753 549457014 /nfs/dbraw/zinc/45/70/14/549457014.db2.gz SLZDGGMHBDBOEE-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2c(CN3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)c[nH+]c12 ZINC000678279753 549457018 /nfs/dbraw/zinc/45/70/18/549457018.db2.gz SLZDGGMHBDBOEE-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[C@H]([N@H+](C)Cc4ccccc4)C3)n21 ZINC000678278997 549457133 /nfs/dbraw/zinc/45/71/33/549457133.db2.gz JVUNOPYDFIQAGZ-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n21 ZINC000678278997 549457135 /nfs/dbraw/zinc/45/71/35/549457135.db2.gz JVUNOPYDFIQAGZ-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)c[nH+]1 ZINC000678822919 549570237 /nfs/dbraw/zinc/57/02/37/549570237.db2.gz LPADWHGJMRSBAR-AWEZNQCLSA-N 2 2 327.457 3.307 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)c[nH+]1 ZINC000678822919 549570240 /nfs/dbraw/zinc/57/02/40/549570240.db2.gz LPADWHGJMRSBAR-AWEZNQCLSA-N 2 2 327.457 3.307 20 0 EGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930213 549598494 /nfs/dbraw/zinc/59/84/94/549598494.db2.gz HJNXMNYCHMKKJL-OALUTQOASA-N 2 2 330.516 3.426 20 0 EGADLP CC(C)[C@H](O)C1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930213 549598497 /nfs/dbraw/zinc/59/84/97/549598497.db2.gz HJNXMNYCHMKKJL-OALUTQOASA-N 2 2 330.516 3.426 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679327392 549688727 /nfs/dbraw/zinc/68/87/27/549688727.db2.gz KFNUCJUJMQNOPI-PKOBYXMFSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327392 549688731 /nfs/dbraw/zinc/68/87/31/549688731.db2.gz KFNUCJUJMQNOPI-PKOBYXMFSA-N 2 2 326.488 3.464 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000680040392 549809787 /nfs/dbraw/zinc/80/97/87/549809787.db2.gz YXDJHCKBQUKLTR-WQANXHIZSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000680040392 549809790 /nfs/dbraw/zinc/80/97/90/549809790.db2.gz YXDJHCKBQUKLTR-WQANXHIZSA-N 2 2 340.471 3.329 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c5ccncc45)[C@H]3C2)cc1 ZINC000680075148 549816417 /nfs/dbraw/zinc/81/64/17/549816417.db2.gz ZRWKEEUFQWWNPL-HFSMHLIXSA-N 2 2 344.462 3.374 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c5ccncc45)[C@H]3C2)cc1 ZINC000680075148 549816419 /nfs/dbraw/zinc/81/64/19/549816419.db2.gz ZRWKEEUFQWWNPL-HFSMHLIXSA-N 2 2 344.462 3.374 20 0 EGADLP CCCCOc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000681080678 549951448 /nfs/dbraw/zinc/95/14/48/549951448.db2.gz HJJVCCNMNDBGRC-HXUWFJFHSA-N 2 2 345.531 3.077 20 0 EGADLP CCCCOc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000681080678 549951451 /nfs/dbraw/zinc/95/14/51/549951451.db2.gz HJJVCCNMNDBGRC-HXUWFJFHSA-N 2 2 345.531 3.077 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000681698756 550027938 /nfs/dbraw/zinc/02/79/38/550027938.db2.gz HYVALHYJNJWIJG-CQSZACIVSA-N 2 2 340.452 3.120 20 0 EGADLP Cc1noc(C[C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)c2ccccc2)n1 ZINC000683206966 550203866 /nfs/dbraw/zinc/20/38/66/550203866.db2.gz RVNHDCPHZQVENI-GOSISDBHSA-N 2 2 347.422 3.408 20 0 EGADLP C[C@H]1C[C@@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000684677762 550354924 /nfs/dbraw/zinc/35/49/24/550354924.db2.gz HBQJAIAJFBNFJO-YOEHRIQHSA-N 2 2 337.895 3.067 20 0 EGADLP C[C@H]1C[C@@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000684677762 550354927 /nfs/dbraw/zinc/35/49/27/550354927.db2.gz HBQJAIAJFBNFJO-YOEHRIQHSA-N 2 2 337.895 3.067 20 0 EGADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000684820763 550373011 /nfs/dbraw/zinc/37/30/11/550373011.db2.gz GPMZFDWYNDSQIY-UHFFFAOYSA-N 2 2 334.379 3.394 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nn(C)c2ccccc12 ZINC000685462767 550419799 /nfs/dbraw/zinc/41/97/99/550419799.db2.gz RGCRXEHXCBEHHH-UHFFFAOYSA-N 2 2 325.460 3.244 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nn(C)c2ccccc12 ZINC000685462767 550419801 /nfs/dbraw/zinc/41/98/01/550419801.db2.gz RGCRXEHXCBEHHH-UHFFFAOYSA-N 2 2 325.460 3.244 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000685579480 550430051 /nfs/dbraw/zinc/43/00/51/550430051.db2.gz SDDXBQHWFRMICL-UHFFFAOYSA-N 2 2 325.456 3.499 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796473 574572046 /nfs/dbraw/zinc/57/20/46/574572046.db2.gz AXQVJHWWFXTZOV-ICSRJNTNSA-N 2 2 342.483 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796473 574572047 /nfs/dbraw/zinc/57/20/47/574572047.db2.gz AXQVJHWWFXTZOV-ICSRJNTNSA-N 2 2 342.483 3.229 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000731896033 575217444 /nfs/dbraw/zinc/21/74/44/575217444.db2.gz GHJSEBBMKGOFJV-UHFFFAOYSA-N 2 2 332.423 3.462 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000731896033 575217446 /nfs/dbraw/zinc/21/74/46/575217446.db2.gz GHJSEBBMKGOFJV-UHFFFAOYSA-N 2 2 332.423 3.462 20 0 EGADLP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733794917 575391891 /nfs/dbraw/zinc/39/18/91/575391891.db2.gz HWGZQDXWJFLNIY-RBUKOAKNSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733794917 575391893 /nfs/dbraw/zinc/39/18/93/575391893.db2.gz HWGZQDXWJFLNIY-RBUKOAKNSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733794917 575391895 /nfs/dbraw/zinc/39/18/95/575391895.db2.gz HWGZQDXWJFLNIY-RBUKOAKNSA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733794917 575391897 /nfs/dbraw/zinc/39/18/97/575391897.db2.gz HWGZQDXWJFLNIY-RBUKOAKNSA-N 2 2 337.552 3.269 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693909 576184209 /nfs/dbraw/zinc/18/42/09/576184209.db2.gz HMOHBJIPLATDJO-KSSFIOAISA-N 2 2 333.451 3.149 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693909 576184212 /nfs/dbraw/zinc/18/42/12/576184212.db2.gz HMOHBJIPLATDJO-KSSFIOAISA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000742374635 576775456 /nfs/dbraw/zinc/77/54/56/576775456.db2.gz AUJIKMQOGCHJAG-DZGCQCFKSA-N 2 2 332.879 3.313 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000742374635 576775458 /nfs/dbraw/zinc/77/54/58/576775458.db2.gz AUJIKMQOGCHJAG-DZGCQCFKSA-N 2 2 332.879 3.313 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC000743317111 576805635 /nfs/dbraw/zinc/80/56/35/576805635.db2.gz NGGAXTFTZYPGQD-AWEZNQCLSA-N 2 2 338.521 3.188 20 0 EGADLP COc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399206035 1297725866 /nfs/dbraw/zinc/72/58/66/1297725866.db2.gz SEBGRADWVGVWHU-GOSISDBHSA-N 2 2 331.485 3.154 20 0 EGADLP COc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399206035 1297725877 /nfs/dbraw/zinc/72/58/77/1297725877.db2.gz SEBGRADWVGVWHU-GOSISDBHSA-N 2 2 331.485 3.154 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000030901936 1291356984 /nfs/dbraw/zinc/35/69/84/1291356984.db2.gz JKIJNKOKOZPOAB-UHFFFAOYSA-N 2 2 334.423 3.180 20 0 EGADLP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000045857463 1291519227 /nfs/dbraw/zinc/51/92/27/1291519227.db2.gz XRJYKBDJZUWCJV-RHSMWYFYSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000045857459 1291519389 /nfs/dbraw/zinc/51/93/89/1291519389.db2.gz XRJYKBDJZUWCJV-PBHICJAKSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC000053359824 1291721757 /nfs/dbraw/zinc/72/17/57/1291721757.db2.gz MAQPNMDIZNUFEG-IAGOWNOFSA-N 2 2 340.471 3.135 20 0 EGADLP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC000053359824 1291721762 /nfs/dbraw/zinc/72/17/62/1291721762.db2.gz MAQPNMDIZNUFEG-IAGOWNOFSA-N 2 2 340.471 3.135 20 0 EGADLP c1ccc(COc2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000066350561 1292113660 /nfs/dbraw/zinc/11/36/60/1292113660.db2.gz ZPACREOVUTUKJZ-UHFFFAOYSA-N 2 2 337.467 3.377 20 0 EGADLP c1csc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000069748062 1292249553 /nfs/dbraw/zinc/24/95/53/1292249553.db2.gz GSVGGZKQHLSEDT-UHFFFAOYSA-N 2 2 343.540 3.436 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccccc2C1 ZINC000075675419 1292404949 /nfs/dbraw/zinc/40/49/49/1292404949.db2.gz RVXQIWDTMNRRJJ-GOSISDBHSA-N 2 2 346.478 3.409 20 0 EGADLP CCOc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1OC ZINC000079000333 1292538778 /nfs/dbraw/zinc/53/87/78/1292538778.db2.gz YMEOSIMHXGRBBZ-SFHVURJKSA-N 2 2 331.460 3.495 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091064192 1292814225 /nfs/dbraw/zinc/81/42/25/1292814225.db2.gz LNEVXZCUNAWZPE-SFHVURJKSA-N 2 2 326.488 3.330 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccn(-c3ccccc3)n2)C1 ZINC000091064192 1292814237 /nfs/dbraw/zinc/81/42/37/1292814237.db2.gz LNEVXZCUNAWZPE-SFHVURJKSA-N 2 2 326.488 3.330 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000093067047 1292905461 /nfs/dbraw/zinc/90/54/61/1292905461.db2.gz FGNPJEZPDZFWTE-KRWDZBQOSA-N 2 2 341.524 3.286 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000093067047 1292905469 /nfs/dbraw/zinc/90/54/69/1292905469.db2.gz FGNPJEZPDZFWTE-KRWDZBQOSA-N 2 2 341.524 3.286 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccnc2Cl)cn1 ZINC000126358389 1293532168 /nfs/dbraw/zinc/53/21/68/1293532168.db2.gz LGYUJIHVZNBSNO-LBPRGKRZSA-N 2 2 327.819 3.475 20 0 EGADLP O[C@@]1(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)CCc2ccccc21 ZINC000133357666 1293742982 /nfs/dbraw/zinc/74/29/82/1293742982.db2.gz YLIBGHWKGQVONW-JOCHJYFZSA-N 2 2 347.462 3.219 20 0 EGADLP O[C@@]1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)CCc2ccccc21 ZINC000133357666 1293742988 /nfs/dbraw/zinc/74/29/88/1293742988.db2.gz YLIBGHWKGQVONW-JOCHJYFZSA-N 2 2 347.462 3.219 20 0 EGADLP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000185359368 1295258589 /nfs/dbraw/zinc/25/85/89/1295258589.db2.gz JBGDVBUYNNNBLX-JTQLQIEISA-N 2 2 345.256 3.286 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237520697 1296248596 /nfs/dbraw/zinc/24/85/96/1296248596.db2.gz GGUUUDWEUBFIBW-MJGOQNOKSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@H]1[NH3+] ZINC000252780916 1296462272 /nfs/dbraw/zinc/46/22/72/1296462272.db2.gz TZQGNSPAGZMXKU-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CC[C@H]1[NH3+] ZINC000252780916 1296462278 /nfs/dbraw/zinc/46/22/78/1296462278.db2.gz TZQGNSPAGZMXKU-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP Cc1sc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000873109348 1297274887 /nfs/dbraw/zinc/27/48/87/1297274887.db2.gz MZJIGKJRPYKGND-JTQLQIEISA-N 2 2 326.263 3.120 20 0 EGADLP CC[NH+](CC)[C@H](c1nc([C@@H]2C[NH+]3CCC2CC3)no1)c1ccccc1 ZINC000350065589 1297389415 /nfs/dbraw/zinc/38/94/15/1297389415.db2.gz ALKNJSBFEZQRAC-MSOLQXFVSA-N 2 2 340.471 3.310 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647230 1297508053 /nfs/dbraw/zinc/50/80/53/1297508053.db2.gz CBBWLPAJTMXCOF-UONOGXRCSA-N 2 2 331.416 3.049 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647230 1297508061 /nfs/dbraw/zinc/50/80/61/1297508061.db2.gz CBBWLPAJTMXCOF-UONOGXRCSA-N 2 2 331.416 3.049 20 0 EGADLP C[NH+]1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000585085577 1298024842 /nfs/dbraw/zinc/02/48/42/1298024842.db2.gz DWQHORMUPZYNDN-SEJPIABJSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692141482 1298141306 /nfs/dbraw/zinc/14/13/06/1298141306.db2.gz RFBGYOJVBWJEIF-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498806 1298264962 /nfs/dbraw/zinc/26/49/62/1298264962.db2.gz PHDCKRVTAPXOCK-YOEHRIQHSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498806 1298264975 /nfs/dbraw/zinc/26/49/75/1298264975.db2.gz PHDCKRVTAPXOCK-YOEHRIQHSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877149605 1299184518 /nfs/dbraw/zinc/18/45/18/1299184518.db2.gz DMAKTRFLHIWJHP-YYIAUSFCSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000749355830 1299200290 /nfs/dbraw/zinc/20/02/90/1299200290.db2.gz ULSDHBBCDPWJPJ-WMZOPIPTSA-N 2 2 346.519 3.069 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000749355830 1299200300 /nfs/dbraw/zinc/20/03/00/1299200300.db2.gz ULSDHBBCDPWJPJ-WMZOPIPTSA-N 2 2 346.519 3.069 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743339 1299520565 /nfs/dbraw/zinc/52/05/65/1299520565.db2.gz JUZDAGKPUQABFV-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743339 1299520567 /nfs/dbraw/zinc/52/05/67/1299520567.db2.gz JUZDAGKPUQABFV-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC(F)F ZINC000877743339 1299520573 /nfs/dbraw/zinc/52/05/73/1299520573.db2.gz JUZDAGKPUQABFV-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC(F)F ZINC000877743339 1299520593 /nfs/dbraw/zinc/52/05/93/1299520593.db2.gz JUZDAGKPUQABFV-GJZGRUSLSA-N 2 2 340.414 3.213 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172308 1299793701 /nfs/dbraw/zinc/79/37/01/1299793701.db2.gz GFSDKAGAQVPJHB-IBGZPJMESA-N 2 2 340.471 3.270 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878662233 1300131411 /nfs/dbraw/zinc/13/14/11/1300131411.db2.gz NJHCOABTBSJZNU-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878662233 1300131420 /nfs/dbraw/zinc/13/14/20/1300131420.db2.gz NJHCOABTBSJZNU-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000878662233 1300131426 /nfs/dbraw/zinc/13/14/26/1300131426.db2.gz NJHCOABTBSJZNU-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878662233 1300131432 /nfs/dbraw/zinc/13/14/32/1300131432.db2.gz NJHCOABTBSJZNU-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CCCCC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000755368222 1300327738 /nfs/dbraw/zinc/32/77/38/1300327738.db2.gz YZXKJBABUCNKSA-IBGZPJMESA-N 2 2 339.568 3.323 20 0 EGADLP CCCCC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000755368222 1300327751 /nfs/dbraw/zinc/32/77/51/1300327751.db2.gz YZXKJBABUCNKSA-IBGZPJMESA-N 2 2 339.568 3.323 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000879060852 1300345233 /nfs/dbraw/zinc/34/52/33/1300345233.db2.gz HDYWQDHPHYMHFY-QGZVFWFLSA-N 2 2 338.536 3.157 20 0 EGADLP C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000759135594 1301023499 /nfs/dbraw/zinc/02/34/99/1301023499.db2.gz NGJOHOMVQHZKAM-GJZGRUSLSA-N 2 2 327.513 3.142 20 0 EGADLP C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000759135594 1301023509 /nfs/dbraw/zinc/02/35/09/1301023509.db2.gz NGJOHOMVQHZKAM-GJZGRUSLSA-N 2 2 327.513 3.142 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853358 1301177526 /nfs/dbraw/zinc/17/75/26/1301177526.db2.gz NDYKUNSVMIRSML-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853358 1301177531 /nfs/dbraw/zinc/17/75/31/1301177531.db2.gz NDYKUNSVMIRSML-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853358 1301177534 /nfs/dbraw/zinc/17/75/34/1301177534.db2.gz NDYKUNSVMIRSML-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853358 1301177538 /nfs/dbraw/zinc/17/75/38/1301177538.db2.gz NDYKUNSVMIRSML-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000765360362 1302253538 /nfs/dbraw/zinc/25/35/38/1302253538.db2.gz UYZHLLPNXCLRIS-UHFFFAOYSA-N 2 2 339.361 3.198 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765793506 1302328593 /nfs/dbraw/zinc/32/85/93/1302328593.db2.gz ZBEYAQWNPYOSPG-BPUTZDHNSA-N 2 2 338.879 3.253 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765793506 1302328601 /nfs/dbraw/zinc/32/86/01/1302328601.db2.gz ZBEYAQWNPYOSPG-BPUTZDHNSA-N 2 2 338.879 3.253 20 0 EGADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765975801 1302361847 /nfs/dbraw/zinc/36/18/47/1302361847.db2.gz KIINEDRUEQWWGS-SJLPKXTDSA-N 2 2 332.488 3.298 20 0 EGADLP COc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1OC ZINC000883398573 1302431534 /nfs/dbraw/zinc/43/15/34/1302431534.db2.gz PXAZIKHJGJZNJG-SFHVURJKSA-N 2 2 337.423 3.431 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc1 ZINC000766602105 1302485518 /nfs/dbraw/zinc/48/55/18/1302485518.db2.gz SFWQOYIRMOSKJE-HBMCJLEFSA-N 2 2 343.515 3.269 20 0 EGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770394564 1303261982 /nfs/dbraw/zinc/26/19/82/1303261982.db2.gz CPYWRTRIWAOIIQ-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)[nH+]c1C ZINC000886664454 1303545803 /nfs/dbraw/zinc/54/58/03/1303545803.db2.gz NDIGQMWIOUSDFI-UHFFFAOYSA-N 2 2 348.397 3.123 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)[nH+]c1C ZINC000886672136 1303551581 /nfs/dbraw/zinc/55/15/81/1303551581.db2.gz JFGYQLVIQRJGKB-SUNYJGFJSA-N 2 2 346.519 3.147 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886874388 1303622341 /nfs/dbraw/zinc/62/23/41/1303622341.db2.gz MYNDQFHNUXSLPU-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886874388 1303622345 /nfs/dbraw/zinc/62/23/45/1303622345.db2.gz MYNDQFHNUXSLPU-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775377296 1303949931 /nfs/dbraw/zinc/94/99/31/1303949931.db2.gz WSDLSUVCCYVDRV-APIJFGDWSA-N 2 2 325.547 3.267 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000775420112 1303961843 /nfs/dbraw/zinc/96/18/43/1303961843.db2.gz GIUDTENGYXKJSX-INIZCTEOSA-N 2 2 338.455 3.080 20 0 EGADLP CC(C)(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000775542424 1303980781 /nfs/dbraw/zinc/98/07/81/1303980781.db2.gz LCWYNSCIDWEUDR-YOEHRIQHSA-N 2 2 326.431 3.098 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cn1 ZINC000779517413 1304580048 /nfs/dbraw/zinc/58/00/48/1304580048.db2.gz YTTDGOBNJCYSHR-HNNXBMFYSA-N 2 2 339.830 3.401 20 0 EGADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC000783032304 1305039198 /nfs/dbraw/zinc/03/91/98/1305039198.db2.gz YDWNFBKRGVSACU-IBGZPJMESA-N 2 2 349.425 3.387 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783510665 1305100760 /nfs/dbraw/zinc/10/07/60/1305100760.db2.gz QWBZKXASVJVHRE-INIZCTEOSA-N 2 2 327.513 3.098 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783510665 1305100764 /nfs/dbraw/zinc/10/07/64/1305100764.db2.gz QWBZKXASVJVHRE-INIZCTEOSA-N 2 2 327.513 3.098 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783510666 1305100920 /nfs/dbraw/zinc/10/09/20/1305100920.db2.gz QWBZKXASVJVHRE-MRXNPFEDSA-N 2 2 327.513 3.098 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000783510666 1305100928 /nfs/dbraw/zinc/10/09/28/1305100928.db2.gz QWBZKXASVJVHRE-MRXNPFEDSA-N 2 2 327.513 3.098 20 0 EGADLP CCC1CCC([N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C2CC2)CC1 ZINC000783971587 1305170241 /nfs/dbraw/zinc/17/02/41/1305170241.db2.gz JGAVSRHPPFOJAP-CGZBRXJRSA-N 2 2 344.503 3.127 20 0 EGADLP CCC1CCC([N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C2CC2)CC1 ZINC000783971587 1305170243 /nfs/dbraw/zinc/17/02/43/1305170243.db2.gz JGAVSRHPPFOJAP-CGZBRXJRSA-N 2 2 344.503 3.127 20 0 EGADLP CNc1cc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc[nH+]1 ZINC000893038244 1305675466 /nfs/dbraw/zinc/67/54/66/1305675466.db2.gz WUTKASNARRDBFG-UHFFFAOYSA-N 2 2 337.471 3.011 20 0 EGADLP CNc1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc[nH+]1 ZINC000893038244 1305675481 /nfs/dbraw/zinc/67/54/81/1305675481.db2.gz WUTKASNARRDBFG-UHFFFAOYSA-N 2 2 337.471 3.011 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788247118 1305906302 /nfs/dbraw/zinc/90/63/02/1305906302.db2.gz VRBUQNFVZITDRO-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000788505085 1305958377 /nfs/dbraw/zinc/95/83/77/1305958377.db2.gz RWJNTFTWZJWCLC-IRXDYDNUSA-N 2 2 348.491 3.041 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788592787 1305977332 /nfs/dbraw/zinc/97/73/32/1305977332.db2.gz MRBWSROXCGWUBU-IAGOWNOFSA-N 2 2 341.540 3.344 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788592787 1305977345 /nfs/dbraw/zinc/97/73/45/1305977345.db2.gz MRBWSROXCGWUBU-IAGOWNOFSA-N 2 2 341.540 3.344 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000893966876 1306152476 /nfs/dbraw/zinc/15/24/76/1306152476.db2.gz SUYRQTRHXYSEDV-ZDUSSCGKSA-N 2 2 338.411 3.057 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000893966876 1306152482 /nfs/dbraw/zinc/15/24/82/1306152482.db2.gz SUYRQTRHXYSEDV-ZDUSSCGKSA-N 2 2 338.411 3.057 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000893980087 1306161687 /nfs/dbraw/zinc/16/16/87/1306161687.db2.gz GXHDFLDHMOOVSJ-MWAUBTQZSA-N 2 2 345.506 3.329 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000893980087 1306161695 /nfs/dbraw/zinc/16/16/95/1306161695.db2.gz GXHDFLDHMOOVSJ-MWAUBTQZSA-N 2 2 345.506 3.329 20 0 EGADLP CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000894037230 1306186041 /nfs/dbraw/zinc/18/60/41/1306186041.db2.gz FVPUIKVFIKIAMR-AWEZNQCLSA-N 2 2 344.425 3.083 20 0 EGADLP CN(C)c1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000894037230 1306186046 /nfs/dbraw/zinc/18/60/46/1306186046.db2.gz FVPUIKVFIKIAMR-AWEZNQCLSA-N 2 2 344.425 3.083 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790471470 1306332351 /nfs/dbraw/zinc/33/23/51/1306332351.db2.gz QBLGVPPYRFGWKT-UHFFFAOYSA-N 2 2 347.503 3.109 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000790471470 1306332360 /nfs/dbraw/zinc/33/23/60/1306332360.db2.gz QBLGVPPYRFGWKT-UHFFFAOYSA-N 2 2 347.503 3.109 20 0 EGADLP Clc1c(C[NH2+]CCCCn2cc[nH+]c2)cnn1Cc1ccccc1 ZINC000790529083 1306344404 /nfs/dbraw/zinc/34/44/04/1306344404.db2.gz AEIOOXIWCTVKCF-UHFFFAOYSA-N 2 2 343.862 3.351 20 0 EGADLP COc1cc(C)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1OC ZINC000896195782 1309739182 /nfs/dbraw/zinc/73/91/82/1309739182.db2.gz RHDIZOCAIPSMTM-UHFFFAOYSA-N 2 2 341.455 3.484 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000795900655 1309856337 /nfs/dbraw/zinc/85/63/37/1309856337.db2.gz FUFRSNNQUDFTNE-IBGZPJMESA-N 2 2 327.472 3.455 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019040079 1317017765 /nfs/dbraw/zinc/01/77/65/1317017765.db2.gz HVRZNLZEOKWFOA-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001019039993 1317017845 /nfs/dbraw/zinc/01/78/45/1317017845.db2.gz CRFROOPUMPDMEP-LPHOPBHVSA-N 2 2 346.434 3.055 20 0 EGADLP CC(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615323 1317498047 /nfs/dbraw/zinc/49/80/47/1317498047.db2.gz XSBCIFCCUFYMCI-GOSISDBHSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000902481867 1317582856 /nfs/dbraw/zinc/58/28/56/1317582856.db2.gz HMEPHDJYNHTOOG-KDOFPFPSSA-N 2 2 330.476 3.153 20 0 EGADLP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Nc1ccc(Cl)cc1 ZINC000903082862 1317649168 /nfs/dbraw/zinc/64/91/68/1317649168.db2.gz XPNZYYNPCKLJIL-ZXFUBFMLSA-N 2 2 333.863 3.026 20 0 EGADLP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Nc1ccc(Cl)cc1 ZINC000903082862 1317649172 /nfs/dbraw/zinc/64/91/72/1317649172.db2.gz XPNZYYNPCKLJIL-ZXFUBFMLSA-N 2 2 333.863 3.026 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245710 1317681589 /nfs/dbraw/zinc/68/15/89/1317681589.db2.gz OLCVHUFMSWQDAG-FXAWDEMLSA-N 2 2 345.531 3.334 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245710 1317681592 /nfs/dbraw/zinc/68/15/92/1317681592.db2.gz OLCVHUFMSWQDAG-FXAWDEMLSA-N 2 2 345.531 3.334 20 0 EGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797987 1317736097 /nfs/dbraw/zinc/73/60/97/1317736097.db2.gz LXZOMVFJQQCJFS-PZJWPPBQSA-N 2 2 337.467 3.364 20 0 EGADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797987 1317736105 /nfs/dbraw/zinc/73/61/05/1317736105.db2.gz LXZOMVFJQQCJFS-PZJWPPBQSA-N 2 2 337.467 3.364 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1C ZINC000903813367 1317737007 /nfs/dbraw/zinc/73/70/07/1317737007.db2.gz DPSQYANLBRZZPW-GOSISDBHSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)c1C ZINC000903813367 1317737009 /nfs/dbraw/zinc/73/70/09/1317737009.db2.gz DPSQYANLBRZZPW-GOSISDBHSA-N 2 2 329.488 3.225 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903899908 1317744788 /nfs/dbraw/zinc/74/47/88/1317744788.db2.gz YLMBKQMLZWCVCG-CJNGLKHVSA-N 2 2 347.400 3.016 20 0 EGADLP c1csc([C@@H]2CSCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903913875 1317748055 /nfs/dbraw/zinc/74/80/55/1317748055.db2.gz FFMDGAFBSQFRKT-INIZCTEOSA-N 2 2 331.510 3.079 20 0 EGADLP c1csc([C@@H]2CSCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903913875 1317748061 /nfs/dbraw/zinc/74/80/61/1317748061.db2.gz FFMDGAFBSQFRKT-INIZCTEOSA-N 2 2 331.510 3.079 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1cccc2ccccc21 ZINC001020635424 1317817640 /nfs/dbraw/zinc/81/76/40/1317817640.db2.gz WNEVKAGWQIYCJP-DJIMGWMZSA-N 2 2 348.450 3.103 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1ccc2ccccc2c1 ZINC001020635141 1317818115 /nfs/dbraw/zinc/81/81/15/1317818115.db2.gz GVUGKKLRPPHTQO-NIKGAXFTSA-N 2 2 348.450 3.103 20 0 EGADLP CC[NH+](CC)Cc1ccc(-c2nc(-c3c[nH+]c(N)cc3C)no2)o1 ZINC000904271989 1317821844 /nfs/dbraw/zinc/82/18/44/1317821844.db2.gz HEKVSOKESZZFAJ-UHFFFAOYSA-N 2 2 327.388 3.124 20 0 EGADLP COc1cc(C[N@H+](C)C[C@@]2(C)CCC[NH2+]C2)c(SC)cc1OC ZINC000904324631 1317829824 /nfs/dbraw/zinc/82/98/24/1317829824.db2.gz ZIXPIXOLCNTIQC-SFHVURJKSA-N 2 2 338.517 3.247 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)c(SC)cc1OC ZINC000904324631 1317829832 /nfs/dbraw/zinc/82/98/32/1317829832.db2.gz ZIXPIXOLCNTIQC-SFHVURJKSA-N 2 2 338.517 3.247 20 0 EGADLP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000904590256 1317866542 /nfs/dbraw/zinc/86/65/42/1317866542.db2.gz TXRUZRMKYGZYCE-FZMZJTMJSA-N 2 2 326.404 3.062 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000809738990 1317884949 /nfs/dbraw/zinc/88/49/49/1317884949.db2.gz SNNGBCVQWZJCGG-UHFFFAOYSA-N 2 2 326.366 3.122 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000809738990 1317884954 /nfs/dbraw/zinc/88/49/54/1317884954.db2.gz SNNGBCVQWZJCGG-UHFFFAOYSA-N 2 2 326.366 3.122 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@](C)(O)C(F)F)CCCC1)c1ccccc1 ZINC000905113043 1317925209 /nfs/dbraw/zinc/92/52/09/1317925209.db2.gz CBHBOMWCKSNVML-YOEHRIQHSA-N 2 2 326.431 3.256 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361921 1328745699 /nfs/dbraw/zinc/74/56/99/1328745699.db2.gz HUUYGELKYYXXCA-YUTCNCBUSA-N 2 2 346.368 3.358 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361921 1328745706 /nfs/dbraw/zinc/74/57/06/1328745706.db2.gz HUUYGELKYYXXCA-YUTCNCBUSA-N 2 2 346.368 3.358 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000813854611 1318644151 /nfs/dbraw/zinc/64/41/51/1318644151.db2.gz BSDGARHCMRZYIW-YJBOKZPZSA-N 2 2 342.487 3.350 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000813854610 1318645110 /nfs/dbraw/zinc/64/51/10/1318645110.db2.gz BSDGARHCMRZYIW-QAPCUYQASA-N 2 2 342.487 3.350 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)c[nH+]1 ZINC001022274205 1318870306 /nfs/dbraw/zinc/87/03/06/1318870306.db2.gz QHEPWCBZWHWXQY-HDICACEKSA-N 2 2 346.519 3.134 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)CC1CCCCCC1 ZINC000960774302 1318874604 /nfs/dbraw/zinc/87/46/04/1318874604.db2.gz IJKFXXFDETVYRQ-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)CC1CCCCCC1 ZINC000960774302 1318874611 /nfs/dbraw/zinc/87/46/11/1318874611.db2.gz IJKFXXFDETVYRQ-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898714 1319038861 /nfs/dbraw/zinc/03/88/61/1319038861.db2.gz FGMCDPPUDXUMJY-PKOBYXMFSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898714 1319038871 /nfs/dbraw/zinc/03/88/71/1319038871.db2.gz FGMCDPPUDXUMJY-PKOBYXMFSA-N 2 2 344.503 3.257 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951588 1319474546 /nfs/dbraw/zinc/47/45/46/1319474546.db2.gz GVOAAHWCYVWTIB-VQIMIIECSA-N 3 2 331.504 3.084 20 0 EGADLP CC(C)n1cncc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000818192815 1319515401 /nfs/dbraw/zinc/51/54/01/1319515401.db2.gz ZZCTYUHPGOPAMK-UHFFFAOYSA-N 2 2 341.503 3.289 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416198 1319571732 /nfs/dbraw/zinc/57/17/32/1319571732.db2.gz SFPIXLYSGJWBFB-MJGOQNOKSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416198 1319571739 /nfs/dbraw/zinc/57/17/39/1319571739.db2.gz SFPIXLYSGJWBFB-MJGOQNOKSA-N 2 2 346.519 3.193 20 0 EGADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccccc1C(F)(F)F ZINC000819058610 1319623242 /nfs/dbraw/zinc/62/32/42/1319623242.db2.gz NJXSIAIAGJZYAC-OAHLLOKOSA-N 2 2 327.350 3.005 20 0 EGADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000819079747 1319628610 /nfs/dbraw/zinc/62/86/10/1319628610.db2.gz FLMTWCAKKMZTOF-OAHLLOKOSA-N 2 2 339.361 3.226 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586035 1319709325 /nfs/dbraw/zinc/70/93/25/1319709325.db2.gz SEDDTEUJVARADS-DLBZAZTESA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586035 1319709328 /nfs/dbraw/zinc/70/93/28/1319709328.db2.gz SEDDTEUJVARADS-DLBZAZTESA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H]([NH2+]CC1CC(NC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC000962072846 1319817078 /nfs/dbraw/zinc/81/70/78/1319817078.db2.gz QVMHRLKHLCYCQS-KLHKWILBSA-N 2 2 348.450 3.194 20 0 EGADLP Cc1ccccc1C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccco1 ZINC000820807343 1319956865 /nfs/dbraw/zinc/95/68/65/1319956865.db2.gz GCOFRXDQQDUVML-FQEVSTJZSA-N 2 2 342.483 3.308 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000822129192 1320056692 /nfs/dbraw/zinc/05/66/92/1320056692.db2.gz RZYZXMJMZZUFJY-SOUVJXGZSA-N 2 2 339.524 3.141 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000822129192 1320056698 /nfs/dbraw/zinc/05/66/98/1320056698.db2.gz RZYZXMJMZZUFJY-SOUVJXGZSA-N 2 2 339.524 3.141 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841100499 1321218292 /nfs/dbraw/zinc/21/82/92/1321218292.db2.gz FAJLIPVXTYPKIN-RHSMWYFYSA-N 2 2 346.906 3.310 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841100499 1321218294 /nfs/dbraw/zinc/21/82/94/1321218294.db2.gz FAJLIPVXTYPKIN-RHSMWYFYSA-N 2 2 346.906 3.310 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000841853254 1321323699 /nfs/dbraw/zinc/32/36/99/1321323699.db2.gz YZUWRXWRJKQUBL-UHFFFAOYSA-N 2 2 345.466 3.185 20 0 EGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000849053925 1322059977 /nfs/dbraw/zinc/05/99/77/1322059977.db2.gz ZXCDBTVOMIESOM-ULQDDVLXSA-N 2 2 340.556 3.203 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccco1 ZINC000849051800 1322060102 /nfs/dbraw/zinc/06/01/02/1322060102.db2.gz XAQUQRGAAIFOMD-ZBFHGGJFSA-N 2 2 344.459 3.032 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000849063694 1322062700 /nfs/dbraw/zinc/06/27/00/1322062700.db2.gz MMTFWGMHMCBLQB-UHFFFAOYSA-N 2 2 337.402 3.134 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCc1ccc(C)cc1)c1ccco1 ZINC000849066670 1322063814 /nfs/dbraw/zinc/06/38/14/1322063814.db2.gz MEXBTOSNQLZXRB-QGZVFWFLSA-N 2 2 328.460 3.285 20 0 EGADLP C1C[C@@H]2SCCS[C@H]2[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539879 1322262895 /nfs/dbraw/zinc/26/28/95/1322262895.db2.gz VHKVUYDTDPYSDC-ORQFMDKSSA-N 2 2 326.575 3.363 20 0 EGADLP C1C[C@@H]2SCCS[C@H]2[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539879 1322262899 /nfs/dbraw/zinc/26/28/99/1322262899.db2.gz VHKVUYDTDPYSDC-ORQFMDKSSA-N 2 2 326.575 3.363 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)on1 ZINC000850582934 1322272748 /nfs/dbraw/zinc/27/27/48/1322272748.db2.gz IAQPKUANFAKDAK-GOOCMWNKSA-N 2 2 327.428 3.065 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)on1 ZINC000850582934 1322272756 /nfs/dbraw/zinc/27/27/56/1322272756.db2.gz IAQPKUANFAKDAK-GOOCMWNKSA-N 2 2 327.428 3.065 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000921471958 1322323256 /nfs/dbraw/zinc/32/32/56/1322323256.db2.gz SSDFPQYWJNCWIC-UHFFFAOYSA-N 2 2 338.499 3.437 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)c3ccc(C[NH+](C)C)nc3)cc2)[nH+]c1C ZINC000921658510 1322372901 /nfs/dbraw/zinc/37/29/01/1322372901.db2.gz WWHFERZQBDFLPB-UHFFFAOYSA-N 2 2 349.438 3.402 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921920433 1322423634 /nfs/dbraw/zinc/42/36/34/1322423634.db2.gz OBOGEADSZKZKHP-MRXNPFEDSA-N 2 2 337.467 3.332 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)OCc2ccc[nH+]c2N)cc1)C(C)C ZINC000922404001 1322520757 /nfs/dbraw/zinc/52/07/57/1322520757.db2.gz FYFWNTLIXINYBB-UHFFFAOYSA-N 2 2 327.428 3.251 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)OCc2ccc[nH+]c2N)cc1)C(C)C ZINC000922404001 1322520765 /nfs/dbraw/zinc/52/07/65/1322520765.db2.gz FYFWNTLIXINYBB-UHFFFAOYSA-N 2 2 327.428 3.251 20 0 EGADLP FC(F)(F)Cn1ccnc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507200 1322765356 /nfs/dbraw/zinc/76/53/56/1322765356.db2.gz NZUNLLBPDKEHNG-AWEZNQCLSA-N 2 2 344.425 3.047 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000924624625 1323080991 /nfs/dbraw/zinc/08/09/91/1323080991.db2.gz MXWZCIBDDQUQFR-WIYYLYMNSA-N 2 2 349.482 3.166 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668036 1323103619 /nfs/dbraw/zinc/10/36/19/1323103619.db2.gz CHFRSFBNANMSMR-MDZRGWNJSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668036 1323103624 /nfs/dbraw/zinc/10/36/24/1323103624.db2.gz CHFRSFBNANMSMR-MDZRGWNJSA-N 2 2 339.487 3.448 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924731678 1323138242 /nfs/dbraw/zinc/13/82/42/1323138242.db2.gz ZEKJHBGJSOOHTJ-RTBURBONSA-N 2 2 344.503 3.323 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924731678 1323138245 /nfs/dbraw/zinc/13/82/45/1323138245.db2.gz ZEKJHBGJSOOHTJ-RTBURBONSA-N 2 2 344.503 3.323 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000931279960 1329084273 /nfs/dbraw/zinc/08/42/73/1329084273.db2.gz ACIMLDBJWNTUAX-NGRWLJPCSA-N 2 2 349.478 3.174 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@H]21 ZINC000931279960 1329084278 /nfs/dbraw/zinc/08/42/78/1329084278.db2.gz ACIMLDBJWNTUAX-NGRWLJPCSA-N 2 2 349.478 3.174 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024646653 1323571473 /nfs/dbraw/zinc/57/14/73/1323571473.db2.gz GMCPNPBXCIKTOK-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024646653 1323571481 /nfs/dbraw/zinc/57/14/81/1323571481.db2.gz GMCPNPBXCIKTOK-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001024980190 1323812611 /nfs/dbraw/zinc/81/26/11/1323812611.db2.gz FYTOMVVWTUVFOE-QFBILLFUSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001024980190 1323812616 /nfs/dbraw/zinc/81/26/16/1323812616.db2.gz FYTOMVVWTUVFOE-QFBILLFUSA-N 2 2 340.471 3.074 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025035479 1323839425 /nfs/dbraw/zinc/83/94/25/1323839425.db2.gz OXXJTWPWSUEHBL-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001025103281 1323897167 /nfs/dbraw/zinc/89/71/67/1323897167.db2.gz QLFKYPTYIUWLAZ-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493459 1324344769 /nfs/dbraw/zinc/34/47/69/1324344769.db2.gz OAAUPIJAGCFOLO-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493459 1324344775 /nfs/dbraw/zinc/34/47/75/1324344775.db2.gz OAAUPIJAGCFOLO-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)on1 ZINC000925133802 1325058453 /nfs/dbraw/zinc/05/84/53/1325058453.db2.gz DSLKWEPIYMKECB-GDZNZVCISA-N 2 2 335.473 3.478 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)on1 ZINC000925133802 1325058456 /nfs/dbraw/zinc/05/84/56/1325058456.db2.gz DSLKWEPIYMKECB-GDZNZVCISA-N 2 2 335.473 3.478 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c[nH+]1 ZINC000925532485 1325194276 /nfs/dbraw/zinc/19/42/76/1325194276.db2.gz GVEYCDOJQHBEHQ-NHCUHLMSSA-N 3 2 338.499 3.189 20 0 EGADLP FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925643250 1325244926 /nfs/dbraw/zinc/24/49/26/1325244926.db2.gz JSGAAKHJYMSOCZ-CJNGLKHVSA-N 2 2 339.405 3.158 20 0 EGADLP COc1ccc([C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925800095 1325307818 /nfs/dbraw/zinc/30/78/18/1325307818.db2.gz WMQJMDNQNPAUBC-MJGOQNOKSA-N 2 2 332.488 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435288 1327673158 /nfs/dbraw/zinc/67/31/58/1327673158.db2.gz DELXQLTYARLMCV-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435288 1327673168 /nfs/dbraw/zinc/67/31/68/1327673168.db2.gz DELXQLTYARLMCV-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435288 1327673177 /nfs/dbraw/zinc/67/31/77/1327673177.db2.gz DELXQLTYARLMCV-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435288 1327673188 /nfs/dbraw/zinc/67/31/88/1327673188.db2.gz DELXQLTYARLMCV-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000926778787 1327713428 /nfs/dbraw/zinc/71/34/28/1327713428.db2.gz SCEJKQMDWNFKBF-HLLBOEOZSA-N 2 2 329.444 3.102 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000926778787 1327713430 /nfs/dbraw/zinc/71/34/30/1327713430.db2.gz SCEJKQMDWNFKBF-HLLBOEOZSA-N 2 2 329.444 3.102 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970672 1328443952 /nfs/dbraw/zinc/44/39/52/1328443952.db2.gz OLCIFFQEWDHICF-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CCCC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970672 1328443955 /nfs/dbraw/zinc/44/39/55/1328443955.db2.gz OLCIFFQEWDHICF-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@H+](C)C[C@H](C)[NH3+])cc2)c1 ZINC000863652914 1329570826 /nfs/dbraw/zinc/57/08/26/1329570826.db2.gz YXCXGXUYPQASAP-AWEZNQCLSA-N 2 2 330.428 3.275 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc2)c1 ZINC000863652914 1329570827 /nfs/dbraw/zinc/57/08/27/1329570827.db2.gz YXCXGXUYPQASAP-AWEZNQCLSA-N 2 2 330.428 3.275 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152480 1348198118 /nfs/dbraw/zinc/19/81/18/1348198118.db2.gz QVBOMDHTSBSHRF-YTQUADARSA-N 2 2 346.519 3.193 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001050152480 1348198121 /nfs/dbraw/zinc/19/81/21/1348198121.db2.gz QVBOMDHTSBSHRF-YTQUADARSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865539277 1329711112 /nfs/dbraw/zinc/71/11/12/1329711112.db2.gz PPRBOKVHFXXWQC-ZDUSSCGKSA-N 2 2 336.361 3.379 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622985 1329721482 /nfs/dbraw/zinc/72/14/82/1329721482.db2.gz HRXSDOGONWXYII-MSOLQXFVSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865622985 1329721484 /nfs/dbraw/zinc/72/14/84/1329721484.db2.gz HRXSDOGONWXYII-MSOLQXFVSA-N 2 2 337.471 3.009 20 0 EGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC000931892050 1329768651 /nfs/dbraw/zinc/76/86/51/1329768651.db2.gz AVHCHMXJJJKYBT-UHFFFAOYSA-N 2 2 336.439 3.075 20 0 EGADLP CCC[N@H+](CCc1cn[nH]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186267 1329953544 /nfs/dbraw/zinc/95/35/44/1329953544.db2.gz TXDYBKVCVMGCHI-UHFFFAOYSA-N 2 2 326.488 3.329 20 0 EGADLP CCC[N@@H+](CCc1cn[nH]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186267 1329953545 /nfs/dbraw/zinc/95/35/45/1329953545.db2.gz TXDYBKVCVMGCHI-UHFFFAOYSA-N 2 2 326.488 3.329 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)co1 ZINC000866666518 1330139591 /nfs/dbraw/zinc/13/95/91/1330139591.db2.gz RCHLGQLIXDXJKU-MAUKXSAKSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)co1 ZINC000866666518 1330139592 /nfs/dbraw/zinc/13/95/92/1330139592.db2.gz RCHLGQLIXDXJKU-MAUKXSAKSA-N 2 2 341.455 3.314 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745543 1331177155 /nfs/dbraw/zinc/17/71/55/1331177155.db2.gz PTKQWSYFTHKHAT-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745543 1331177159 /nfs/dbraw/zinc/17/71/59/1331177159.db2.gz PTKQWSYFTHKHAT-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806134 1332677924 /nfs/dbraw/zinc/67/79/24/1332677924.db2.gz AYEDDCXYEWYSKF-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806134 1332677926 /nfs/dbraw/zinc/67/79/26/1332677926.db2.gz AYEDDCXYEWYSKF-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947757912 1333253831 /nfs/dbraw/zinc/25/38/31/1333253831.db2.gz HFIMPTNZVGKXMY-RDJZCZTQSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947757912 1333253836 /nfs/dbraw/zinc/25/38/36/1333253836.db2.gz HFIMPTNZVGKXMY-RDJZCZTQSA-N 2 2 346.519 3.138 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878758 1333288724 /nfs/dbraw/zinc/28/87/24/1333288724.db2.gz RUBVAOSGIVCBAJ-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878758 1333288726 /nfs/dbraw/zinc/28/87/26/1333288726.db2.gz RUBVAOSGIVCBAJ-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCC[N@@H+](CC(C)C)CC3)ccn12 ZINC000948374622 1333500570 /nfs/dbraw/zinc/50/05/70/1333500570.db2.gz XMYIBAOKLMRRGJ-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCC[N@H+](CC(C)C)CC3)ccn12 ZINC000948374622 1333500573 /nfs/dbraw/zinc/50/05/73/1333500573.db2.gz XMYIBAOKLMRRGJ-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948617114 1333597831 /nfs/dbraw/zinc/59/78/31/1333597831.db2.gz NHTBTCGYTXROKM-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948617114 1333597834 /nfs/dbraw/zinc/59/78/34/1333597834.db2.gz NHTBTCGYTXROKM-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)c1 ZINC000949117768 1333779964 /nfs/dbraw/zinc/77/99/64/1333779964.db2.gz KQUPPMVETLGOSN-KRWDZBQOSA-N 2 2 348.450 3.162 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000950088426 1334012279 /nfs/dbraw/zinc/01/22/79/1334012279.db2.gz FSACHUIAFCOKID-RTBURBONSA-N 2 2 349.494 3.007 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005533840 1336369071 /nfs/dbraw/zinc/36/90/71/1336369071.db2.gz RLMYYSDNVCMNJU-QZTJIDSGSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005533840 1336369073 /nfs/dbraw/zinc/36/90/73/1336369073.db2.gz RLMYYSDNVCMNJU-QZTJIDSGSA-N 2 2 344.503 3.016 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006067499 1336446297 /nfs/dbraw/zinc/44/62/97/1336446297.db2.gz ZIFKTIPYZBLOLN-IBGZPJMESA-N 2 2 340.471 3.026 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007639892 1336681850 /nfs/dbraw/zinc/68/18/50/1336681850.db2.gz KDYVFCRKJYDHNZ-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007639892 1336681852 /nfs/dbraw/zinc/68/18/52/1336681852.db2.gz KDYVFCRKJYDHNZ-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC001014901542 1337943182 /nfs/dbraw/zinc/94/31/82/1337943182.db2.gz LYUNIOQZLJQNDB-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC001014901542 1337943185 /nfs/dbraw/zinc/94/31/85/1337943185.db2.gz LYUNIOQZLJQNDB-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001029124181 1340935862 /nfs/dbraw/zinc/93/58/62/1340935862.db2.gz FSYWOSSCYNWKEA-KRWDZBQOSA-N 2 2 346.519 3.070 20 0 EGADLP C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029970242 1341139041 /nfs/dbraw/zinc/13/90/41/1341139041.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029970242 1341139042 /nfs/dbraw/zinc/13/90/42/1341139042.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029970242 1341139043 /nfs/dbraw/zinc/13/90/43/1341139043.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029970242 1341139044 /nfs/dbraw/zinc/13/90/44/1341139044.db2.gz QTSMFMWYKMCXOX-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001031237281 1341301652 /nfs/dbraw/zinc/30/16/52/1341301652.db2.gz YDSBTOWNEWYWKK-YLJYHZDGSA-N 2 2 343.515 3.203 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001031237281 1341301654 /nfs/dbraw/zinc/30/16/54/1341301654.db2.gz YDSBTOWNEWYWKK-YLJYHZDGSA-N 2 2 343.515 3.203 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075950353 1356452716 /nfs/dbraw/zinc/45/27/16/1356452716.db2.gz IJZDFWWIYPZFKQ-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075950353 1356452719 /nfs/dbraw/zinc/45/27/19/1356452719.db2.gz IJZDFWWIYPZFKQ-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206497 1342317381 /nfs/dbraw/zinc/31/73/81/1342317381.db2.gz JSESLDXNRXDSHW-YJBOKZPZSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206497 1342317386 /nfs/dbraw/zinc/31/73/86/1342317386.db2.gz JSESLDXNRXDSHW-YJBOKZPZSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391565 1342461588 /nfs/dbraw/zinc/46/15/88/1342461588.db2.gz MZORRLSKEFMYSZ-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391565 1342461591 /nfs/dbraw/zinc/46/15/91/1342461591.db2.gz MZORRLSKEFMYSZ-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001034702265 1342701146 /nfs/dbraw/zinc/70/11/46/1342701146.db2.gz QQGOQCUCWLLWHP-IYARVYRRSA-N 2 2 340.471 3.159 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001034731768 1342726784 /nfs/dbraw/zinc/72/67/84/1342726784.db2.gz VEHFQAPCBNOXCI-ULQDDVLXSA-N 2 2 344.503 3.037 20 0 EGADLP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001034768946 1342748397 /nfs/dbraw/zinc/74/83/97/1342748397.db2.gz NVKBQJNNNUMCBO-IYARVYRRSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1cc(C)c(C(=O)NCc2ccc(C[NH2+]C(C)C)cc2)c(C)[nH+]1 ZINC001034821137 1342783717 /nfs/dbraw/zinc/78/37/17/1342783717.db2.gz VGGIUVSBJNXAIV-UHFFFAOYSA-N 2 2 325.456 3.435 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 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/nfs/dbraw/zinc/80/58/96/1343805896.db2.gz AUSKEOSABZTPDH-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1cccc2[nH+]ccn21 ZINC001037043259 1343945716 /nfs/dbraw/zinc/94/57/16/1343945716.db2.gz MMXZQCBLDRCZTN-DLBZAZTESA-N 2 2 340.471 3.013 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001037246407 1344066525 /nfs/dbraw/zinc/06/65/25/1344066525.db2.gz LGQQDSPAFURWJB-ROUUACIJSA-N 2 2 344.503 3.026 20 0 EGADLP CC[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037885966 1344161221 /nfs/dbraw/zinc/16/12/21/1344161221.db2.gz DCXSBBPTALZEMT-ROUUACIJSA-N 2 2 329.488 3.247 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001038314141 1344375574 /nfs/dbraw/zinc/37/55/74/1344375574.db2.gz HPOBDCNCVQMBJH-QGZVFWFLSA-N 2 2 347.528 3.114 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038314141 1344375579 /nfs/dbraw/zinc/37/55/79/1344375579.db2.gz HPOBDCNCVQMBJH-QGZVFWFLSA-N 2 2 347.528 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ZINC001040722928 1345570905 /nfs/dbraw/zinc/57/09/05/1345570905.db2.gz GLFWQDHQHYHHBU-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001040722928 1345570907 /nfs/dbraw/zinc/57/09/07/1345570907.db2.gz GLFWQDHQHYHHBU-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042311821 1346028849 /nfs/dbraw/zinc/02/88/49/1346028849.db2.gz AGTSIFBESISKIR-CVEARBPZSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042311821 1346028852 /nfs/dbraw/zinc/02/88/52/1346028852.db2.gz AGTSIFBESISKIR-CVEARBPZSA-N 2 2 346.519 3.046 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043091846 1346139393 /nfs/dbraw/zinc/13/93/93/1346139393.db2.gz MXWKESHIISYJGF-FQEVSTJZSA-N 2 2 348.450 3.470 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001044189978 1346269953 /nfs/dbraw/zinc/26/99/53/1346269953.db2.gz QNVGZFNELOWGNX-HZPDHXFCSA-N 2 2 346.519 3.046 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CC4CCC4)C[C@H]3C)ccn12 ZINC001044604662 1346380552 /nfs/dbraw/zinc/38/05/52/1346380552.db2.gz LJNCJQCBVCUBAG-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CC4CCC4)C[C@H]3C)ccn12 ZINC001044604664 1346380641 /nfs/dbraw/zinc/38/06/41/1346380641.db2.gz LJNCJQCBVCUBAG-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692688 1346404915 /nfs/dbraw/zinc/40/49/15/1346404915.db2.gz IPWWEXZAIOCMMI-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001045088994 1346492873 /nfs/dbraw/zinc/49/28/73/1346492873.db2.gz WUIPAPVJXMPIOC-SFHVURJKSA-N 2 2 344.503 3.008 20 0 EGADLP CC(C)C[NH+]1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001045514805 1346614320 /nfs/dbraw/zinc/61/43/20/1346614320.db2.gz WGTNQDRTRGBOCU-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945200 1346780731 /nfs/dbraw/zinc/78/07/31/1346780731.db2.gz OONVWYBGNFSAOP-HLIPFELVSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945200 1346780733 /nfs/dbraw/zinc/78/07/33/1346780733.db2.gz OONVWYBGNFSAOP-HLIPFELVSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945200 1346780735 /nfs/dbraw/zinc/78/07/35/1346780735.db2.gz OONVWYBGNFSAOP-HLIPFELVSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945200 1346780736 /nfs/dbraw/zinc/78/07/36/1346780736.db2.gz OONVWYBGNFSAOP-HLIPFELVSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945201 1346780798 /nfs/dbraw/zinc/78/07/98/1346780798.db2.gz OONVWYBGNFSAOP-MBOZVWFJSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001045945201 1346780800 /nfs/dbraw/zinc/78/08/00/1346780800.db2.gz OONVWYBGNFSAOP-MBOZVWFJSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945201 1346780802 /nfs/dbraw/zinc/78/08/02/1346780802.db2.gz OONVWYBGNFSAOP-MBOZVWFJSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001045945201 1346780803 /nfs/dbraw/zinc/78/08/03/1346780803.db2.gz OONVWYBGNFSAOP-MBOZVWFJSA-N 2 2 344.503 3.018 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046413719 1346966981 /nfs/dbraw/zinc/96/69/81/1346966981.db2.gz ALLPPYDQFDPYGF-NRFANRHFSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046413719 1346966986 /nfs/dbraw/zinc/96/69/86/1346966986.db2.gz ALLPPYDQFDPYGF-NRFANRHFSA-N 2 2 348.450 3.266 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415800 1346967660 /nfs/dbraw/zinc/96/76/60/1346967660.db2.gz SEDYNONOEOZIKB-LJQANCHMSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046415800 1346967661 /nfs/dbraw/zinc/96/76/61/1346967661.db2.gz SEDYNONOEOZIKB-LJQANCHMSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759963 1348004918 /nfs/dbraw/zinc/00/49/18/1348004918.db2.gz VCQOAZRNZGGQMN-KURKYZTESA-N 2 2 346.519 3.336 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759963 1348004921 /nfs/dbraw/zinc/00/49/21/1348004921.db2.gz VCQOAZRNZGGQMN-KURKYZTESA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049783209 1348019721 /nfs/dbraw/zinc/01/97/21/1348019721.db2.gz SITIOSAHFPPEMF-AYOQOUSVSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001049783209 1348019724 /nfs/dbraw/zinc/01/97/24/1348019724.db2.gz SITIOSAHFPPEMF-AYOQOUSVSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049783209 1348019727 /nfs/dbraw/zinc/01/97/27/1348019727.db2.gz SITIOSAHFPPEMF-AYOQOUSVSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001049783209 1348019729 /nfs/dbraw/zinc/01/97/29/1348019729.db2.gz SITIOSAHFPPEMF-AYOQOUSVSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845399 1348055305 /nfs/dbraw/zinc/05/53/05/1348055305.db2.gz ADPZXNUBGOVVBM-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845399 1348055308 /nfs/dbraw/zinc/05/53/08/1348055308.db2.gz ADPZXNUBGOVVBM-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050076900 1348174727 /nfs/dbraw/zinc/17/47/27/1348174727.db2.gz HTPKVNXBKIDLAP-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050076900 1348174729 /nfs/dbraw/zinc/17/47/29/1348174729.db2.gz HTPKVNXBKIDLAP-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001050731725 1348340599 /nfs/dbraw/zinc/34/05/99/1348340599.db2.gz PEYBYDLESNQLIT-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001052749388 1348660558 /nfs/dbraw/zinc/66/05/58/1348660558.db2.gz URQXXDQYYCLHDE-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001052749388 1348660561 /nfs/dbraw/zinc/66/05/61/1348660561.db2.gz URQXXDQYYCLHDE-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750536 1348661199 /nfs/dbraw/zinc/66/11/99/1348661199.db2.gz JWJUZOWOXUNLKD-PKOBYXMFSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750536 1348661202 /nfs/dbraw/zinc/66/12/02/1348661202.db2.gz JWJUZOWOXUNLKD-PKOBYXMFSA-N 2 2 340.471 3.074 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084966 1348906085 /nfs/dbraw/zinc/90/60/85/1348906085.db2.gz ZNNBOXFGKKUORH-ROUUACIJSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084966 1348906089 /nfs/dbraw/zinc/90/60/89/1348906089.db2.gz ZNNBOXFGKKUORH-ROUUACIJSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777368 1360040330 /nfs/dbraw/zinc/04/03/30/1360040330.db2.gz UMNTVUNTQQYVNY-APWZRJJASA-N 2 2 338.455 3.031 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777368 1360040335 /nfs/dbraw/zinc/04/03/35/1360040335.db2.gz UMNTVUNTQQYVNY-APWZRJJASA-N 2 2 338.455 3.031 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072028597 1355089647 /nfs/dbraw/zinc/08/96/47/1355089647.db2.gz APHJLLMFPPIQBM-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072028597 1355089650 /nfs/dbraw/zinc/08/96/50/1355089650.db2.gz APHJLLMFPPIQBM-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457682 1356389747 /nfs/dbraw/zinc/38/97/47/1356389747.db2.gz ZZFGLCKVCVCEGD-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457682 1356389751 /nfs/dbraw/zinc/38/97/51/1356389751.db2.gz ZZFGLCKVCVCEGD-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C ZINC001080852606 1357752739 /nfs/dbraw/zinc/75/27/39/1357752739.db2.gz MHXDGTIYEFZQSM-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C ZINC001080852606 1357752744 /nfs/dbraw/zinc/75/27/44/1357752744.db2.gz MHXDGTIYEFZQSM-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C)c1ccccc1 ZINC001082595140 1358065473 /nfs/dbraw/zinc/06/54/73/1358065473.db2.gz XTZTZZTUMVKKKS-STXHMFSFSA-N 2 2 348.450 3.374 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905487 1358864545 /nfs/dbraw/zinc/86/45/45/1358864545.db2.gz GZGAOAOTJANUKR-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905487 1358864551 /nfs/dbraw/zinc/86/45/51/1358864551.db2.gz GZGAOAOTJANUKR-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086121434 1359002234 /nfs/dbraw/zinc/00/22/34/1359002234.db2.gz SMHJMDGBISQHNG-RHNCMZPLSA-N 2 2 348.450 3.170 20 0 EGADLP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001086147547 1359009064 /nfs/dbraw/zinc/00/90/64/1359009064.db2.gz OEAZMLGAPRHDSM-CALCHBBNSA-N 2 2 340.471 3.013 20 0 EGADLP O=C(NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001086427367 1359094769 /nfs/dbraw/zinc/09/47/69/1359094769.db2.gz OEAZMLGAPRHDSM-QAQDUYKDSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001086763332 1359196999 /nfs/dbraw/zinc/19/69/99/1359196999.db2.gz FTTBYOZYNQLAMO-ZWKOTPCHSA-N 2 2 329.488 3.295 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086919951 1359247257 /nfs/dbraw/zinc/24/72/57/1359247257.db2.gz CDIZFTPBBDMAEK-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1)n1cc[nH+]c1 ZINC001087220400 1359325099 /nfs/dbraw/zinc/32/50/99/1359325099.db2.gz OWCXVOIQKARPPO-AOIWGVFYSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702943 1387423779 /nfs/dbraw/zinc/42/37/79/1387423779.db2.gz KNGNORIOLNRUEW-ROUUACIJSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702943 1387423780 /nfs/dbraw/zinc/42/37/80/1387423780.db2.gz KNGNORIOLNRUEW-ROUUACIJSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccnc2N(C)C)C1 ZINC001323702943 1387423781 /nfs/dbraw/zinc/42/37/81/1387423781.db2.gz KNGNORIOLNRUEW-ROUUACIJSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC001323702943 1387423782 /nfs/dbraw/zinc/42/37/82/1387423782.db2.gz KNGNORIOLNRUEW-ROUUACIJSA-N 2 2 330.520 3.234 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412808 1360408997 /nfs/dbraw/zinc/40/89/97/1360408997.db2.gz UENFHMZMLSFUHN-GVDBMIGSSA-N 2 2 344.503 3.086 20 0 EGADLP 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Cc1ccc(C[NH2+]C2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001091098032 1360991657 /nfs/dbraw/zinc/99/16/57/1360991657.db2.gz CHFYNIBXEVDNAH-UHFFFAOYSA-N 2 2 348.450 3.170 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158661 1363662594 /nfs/dbraw/zinc/66/25/94/1363662594.db2.gz KACKGSOPBKFZSK-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158661 1363662597 /nfs/dbraw/zinc/66/25/97/1363662597.db2.gz KACKGSOPBKFZSK-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264740 1363722931 /nfs/dbraw/zinc/72/29/31/1363722931.db2.gz XOGZAWCBAIJFAI-SJLPKXTDSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264740 1363722932 /nfs/dbraw/zinc/72/29/32/1363722932.db2.gz XOGZAWCBAIJFAI-SJLPKXTDSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264740 1363722937 /nfs/dbraw/zinc/72/29/37/1363722937.db2.gz XOGZAWCBAIJFAI-SJLPKXTDSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264740 1363722941 /nfs/dbraw/zinc/72/29/41/1363722941.db2.gz XOGZAWCBAIJFAI-SJLPKXTDSA-N 2 2 348.535 3.241 20 0 EGADLP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324360 1363750866 /nfs/dbraw/zinc/75/08/66/1363750866.db2.gz KWDUVXZANUELNX-QGZVFWFLSA-N 2 2 348.535 3.448 20 0 EGADLP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099324360 1363750871 /nfs/dbraw/zinc/75/08/71/1363750871.db2.gz KWDUVXZANUELNX-QGZVFWFLSA-N 2 2 348.535 3.448 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446268 1364117529 /nfs/dbraw/zinc/11/75/29/1364117529.db2.gz XIVLCMPMJIWKSC-UHFFFAOYSA-N 2 2 342.487 3.487 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414573 1365045303 /nfs/dbraw/zinc/04/53/03/1365045303.db2.gz JNAPYVBSZGZZKX-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414573 1365045306 /nfs/dbraw/zinc/04/53/06/1365045306.db2.gz JNAPYVBSZGZZKX-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479343 1365587217 /nfs/dbraw/zinc/58/72/17/1365587217.db2.gz LMIQFYNBHRXUJI-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479343 1365587220 /nfs/dbraw/zinc/58/72/20/1365587220.db2.gz LMIQFYNBHRXUJI-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC001324743058 1387759019 /nfs/dbraw/zinc/75/90/19/1387759019.db2.gz VKKCBEMQECTIFJ-UHFFFAOYSA-N 2 2 348.406 3.498 20 0 EGADLP CCCCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414196 1366013727 /nfs/dbraw/zinc/01/37/27/1366013727.db2.gz IFLDQASYDBLPDT-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544216 1366521013 /nfs/dbraw/zinc/52/10/13/1366521013.db2.gz DLEYOOOHCNFWDE-JFIYKMOQSA-N 2 2 344.503 3.064 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544216 1366521015 /nfs/dbraw/zinc/52/10/15/1366521015.db2.gz DLEYOOOHCNFWDE-JFIYKMOQSA-N 2 2 344.503 3.064 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748408 1366787804 /nfs/dbraw/zinc/78/78/04/1366787804.db2.gz ZJDXBJQBXWUCOT-BFQLNGAHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748408 1366787807 /nfs/dbraw/zinc/78/78/07/1366787807.db2.gz ZJDXBJQBXWUCOT-BFQLNGAHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177773 1367192410 /nfs/dbraw/zinc/19/24/10/1367192410.db2.gz SFWYEVFCUDDEGU-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177773 1367192414 /nfs/dbraw/zinc/19/24/14/1367192414.db2.gz SFWYEVFCUDDEGU-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819251 1367359268 /nfs/dbraw/zinc/35/92/68/1367359268.db2.gz VVOCPLJSBLODDE-KAGICYHLSA-N 2 2 346.519 3.359 20 0 EGADLP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819251 1367359272 /nfs/dbraw/zinc/35/92/72/1367359272.db2.gz VVOCPLJSBLODDE-KAGICYHLSA-N 2 2 346.519 3.359 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935723 1367386218 /nfs/dbraw/zinc/38/62/18/1367386218.db2.gz VHTMOABYKMFYHT-DOTOQJQBSA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935723 1367386222 /nfs/dbraw/zinc/38/62/22/1367386222.db2.gz VHTMOABYKMFYHT-DOTOQJQBSA-N 2 2 342.487 3.391 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001191444583 1367504754 /nfs/dbraw/zinc/50/47/54/1367504754.db2.gz OLBJDUXJVNOIKK-UYAOXDASSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001191444583 1367504758 /nfs/dbraw/zinc/50/47/58/1367504758.db2.gz OLBJDUXJVNOIKK-UYAOXDASSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001191444583 1367504762 /nfs/dbraw/zinc/50/47/62/1367504762.db2.gz OLBJDUXJVNOIKK-UYAOXDASSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001191444583 1367504764 /nfs/dbraw/zinc/50/47/64/1367504764.db2.gz OLBJDUXJVNOIKK-UYAOXDASSA-N 2 2 343.515 3.376 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799830 1367603150 /nfs/dbraw/zinc/60/31/50/1367603150.db2.gz UTNODFXVJSNOOY-BBWFWOEESA-N 2 2 346.519 3.093 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292708 1367740229 /nfs/dbraw/zinc/74/02/29/1367740229.db2.gz BIRAOPQSTGZGOT-MBZYTVFJSA-N 2 2 344.503 3.109 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292708 1367740235 /nfs/dbraw/zinc/74/02/35/1367740235.db2.gz BIRAOPQSTGZGOT-MBZYTVFJSA-N 2 2 344.503 3.109 20 0 EGADLP Cc1cccnc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001325159740 1387908307 /nfs/dbraw/zinc/90/83/07/1387908307.db2.gz XTKOJZSMLMHWRJ-MRXNPFEDSA-N 2 2 342.462 3.132 20 0 EGADLP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717664 1367946155 /nfs/dbraw/zinc/94/61/55/1367946155.db2.gz BBCVYHJHJWXCFV-SUMDDJOVSA-N 2 2 340.471 3.334 20 0 EGADLP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717664 1367946158 /nfs/dbraw/zinc/94/61/58/1367946158.db2.gz BBCVYHJHJWXCFV-SUMDDJOVSA-N 2 2 340.471 3.334 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001111076378 1368152712 /nfs/dbraw/zinc/15/27/12/1368152712.db2.gz FJCANIMZWDXZQJ-MLHJIOFPSA-N 2 2 346.519 3.382 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001111076378 1368152716 /nfs/dbraw/zinc/15/27/16/1368152716.db2.gz FJCANIMZWDXZQJ-MLHJIOFPSA-N 2 2 346.519 3.382 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496869 1368321043 /nfs/dbraw/zinc/32/10/43/1368321043.db2.gz IXMKCXVNOPMDSN-IBMHEYTHSA-N 2 2 344.503 3.131 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496869 1368321046 /nfs/dbraw/zinc/32/10/46/1368321046.db2.gz IXMKCXVNOPMDSN-IBMHEYTHSA-N 2 2 344.503 3.131 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885602 1368529644 /nfs/dbraw/zinc/52/96/44/1368529644.db2.gz VMYHVGOSRNQUGP-GGHADWBZSA-N 2 2 344.503 3.161 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885602 1368529653 /nfs/dbraw/zinc/52/96/53/1368529653.db2.gz VMYHVGOSRNQUGP-GGHADWBZSA-N 2 2 344.503 3.161 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287513 1368583928 /nfs/dbraw/zinc/58/39/28/1368583928.db2.gz DSDLPZJFMSYDPT-ARJAWSKDSA-N 2 2 326.444 3.067 20 0 EGADLP CC/C=C\CC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287513 1368583931 /nfs/dbraw/zinc/58/39/31/1368583931.db2.gz DSDLPZJFMSYDPT-ARJAWSKDSA-N 2 2 326.444 3.067 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125886 1368750167 /nfs/dbraw/zinc/75/01/67/1368750167.db2.gz NYJIGAFWVKJLBF-VGOKWCNXSA-N 2 2 344.503 3.110 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125886 1368750169 /nfs/dbraw/zinc/75/01/69/1368750169.db2.gz NYJIGAFWVKJLBF-VGOKWCNXSA-N 2 2 344.503 3.110 20 0 EGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199170628 1369187366 /nfs/dbraw/zinc/18/73/66/1369187366.db2.gz KQPSKYLOASZSHK-WMQCIHAUSA-N 2 2 331.548 3.463 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001199178927 1369188368 /nfs/dbraw/zinc/18/83/68/1369188368.db2.gz MMONPRKWSQJXIM-UHFFFAOYSA-N 2 2 334.423 3.180 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001200346670 1369351744 /nfs/dbraw/zinc/35/17/44/1369351744.db2.gz QJMWHXIUHIKEOY-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001200346670 1369351751 /nfs/dbraw/zinc/35/17/51/1369351751.db2.gz QJMWHXIUHIKEOY-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113522771 1369476572 /nfs/dbraw/zinc/47/65/72/1369476572.db2.gz LECMQGQYOIMEIO-NRFANRHFSA-N 2 2 345.531 3.188 20 0 EGADLP CC/C=C\CC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201260100 1369505674 /nfs/dbraw/zinc/50/56/74/1369505674.db2.gz KHKGWVFYEFFJHG-ARJAWSKDSA-N 2 2 326.444 3.113 20 0 EGADLP CN(C)c1ncccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325607890 1388010141 /nfs/dbraw/zinc/01/01/41/1388010141.db2.gz UJUVLJPTHNYVJZ-IBGZPJMESA-N 2 2 338.499 3.102 20 0 EGADLP CN(C)c1ncccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325607890 1388010144 /nfs/dbraw/zinc/01/01/44/1388010144.db2.gz UJUVLJPTHNYVJZ-IBGZPJMESA-N 2 2 338.499 3.102 20 0 EGADLP CN(C)c1ncccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325607890 1388010145 /nfs/dbraw/zinc/01/01/45/1388010145.db2.gz UJUVLJPTHNYVJZ-IBGZPJMESA-N 2 2 338.499 3.102 20 0 EGADLP CN(C)c1ncccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325607890 1388010147 /nfs/dbraw/zinc/01/01/47/1388010147.db2.gz UJUVLJPTHNYVJZ-IBGZPJMESA-N 2 2 338.499 3.102 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724048 1369586516 /nfs/dbraw/zinc/58/65/16/1369586516.db2.gz DLVNLUJVCYUIDP-WAYWQWQTSA-N 2 2 343.515 3.009 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724048 1369586518 /nfs/dbraw/zinc/58/65/18/1369586518.db2.gz DLVNLUJVCYUIDP-WAYWQWQTSA-N 2 2 343.515 3.009 20 0 EGADLP COC(=O)CCC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001202252272 1369723278 /nfs/dbraw/zinc/72/32/78/1369723278.db2.gz HEBKSLJKRJAHSR-UHFFFAOYSA-N 2 2 338.879 3.189 20 0 EGADLP COC(=O)CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001202252272 1369723283 /nfs/dbraw/zinc/72/32/83/1369723283.db2.gz HEBKSLJKRJAHSR-UHFFFAOYSA-N 2 2 338.879 3.189 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCCC(F)(F)F)CC2 ZINC001202394158 1369758920 /nfs/dbraw/zinc/75/89/20/1369758920.db2.gz GHJVFVIWCHRCRC-UHFFFAOYSA-N 2 2 332.414 3.226 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCCC(F)(F)F)CC2 ZINC001202394158 1369758925 /nfs/dbraw/zinc/75/89/25/1369758925.db2.gz GHJVFVIWCHRCRC-UHFFFAOYSA-N 2 2 332.414 3.226 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001325679485 1388029157 /nfs/dbraw/zinc/02/91/57/1388029157.db2.gz JUQJFMLIYTUEPI-IYARVYRRSA-N 2 2 346.519 3.045 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239582 1370036521 /nfs/dbraw/zinc/03/65/21/1370036521.db2.gz IUAAZCCVLUOYOK-SJORKVTESA-N 2 2 346.519 3.117 20 0 EGADLP CC[NH+](CC)CCN1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC001203683688 1370216973 /nfs/dbraw/zinc/21/69/73/1370216973.db2.gz AQIPDEMUUFLJQK-UHFFFAOYSA-N 2 2 343.437 3.165 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(OC)c1O ZINC001204122258 1370383404 /nfs/dbraw/zinc/38/34/04/1370383404.db2.gz XISSEXWFPLTGEH-QGZVFWFLSA-N 2 2 348.487 3.250 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(OC)c1O ZINC001204122258 1370383407 /nfs/dbraw/zinc/38/34/07/1370383407.db2.gz XISSEXWFPLTGEH-QGZVFWFLSA-N 2 2 348.487 3.250 20 0 EGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001204254469 1370423811 /nfs/dbraw/zinc/42/38/11/1370423811.db2.gz ZJPOTVWDHXLZGJ-OAHLLOKOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cccc(OC)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001204254469 1370423814 /nfs/dbraw/zinc/42/38/14/1370423814.db2.gz ZJPOTVWDHXLZGJ-OAHLLOKOSA-N 2 2 328.412 3.061 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001204582915 1370523729 /nfs/dbraw/zinc/52/37/29/1370523729.db2.gz PUEIDQBYKNIXME-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001204582915 1370523730 /nfs/dbraw/zinc/52/37/30/1370523730.db2.gz PUEIDQBYKNIXME-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001204582915 1370523734 /nfs/dbraw/zinc/52/37/34/1370523734.db2.gz PUEIDQBYKNIXME-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001204582915 1370523736 /nfs/dbraw/zinc/52/37/36/1370523736.db2.gz PUEIDQBYKNIXME-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115567147 1370568240 /nfs/dbraw/zinc/56/82/40/1370568240.db2.gz RGDWPMQHNXSUOH-KRWDZBQOSA-N 2 2 348.535 3.433 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115567147 1370568242 /nfs/dbraw/zinc/56/82/42/1370568242.db2.gz RGDWPMQHNXSUOH-KRWDZBQOSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001204877453 1370594961 /nfs/dbraw/zinc/59/49/61/1370594961.db2.gz JMLGQCXSVHSWFV-HZMBPMFUSA-N 2 2 345.231 3.256 20 0 EGADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2ccc(Br)cc2C1 ZINC001204877453 1370594964 /nfs/dbraw/zinc/59/49/64/1370594964.db2.gz JMLGQCXSVHSWFV-HZMBPMFUSA-N 2 2 345.231 3.256 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001205015301 1370629116 /nfs/dbraw/zinc/62/91/16/1370629116.db2.gz AJYFUDACKGJVCH-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(C)c2C)C1 ZINC001205015301 1370629122 /nfs/dbraw/zinc/62/91/22/1370629122.db2.gz AJYFUDACKGJVCH-CQSZACIVSA-N 2 2 325.294 3.497 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2cc(Br)c(Cl)cc2F)CC1 ZINC001205052761 1370638657 /nfs/dbraw/zinc/63/86/57/1370638657.db2.gz CEWOUPABEOUGIE-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP CCCCCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655662 1370641768 /nfs/dbraw/zinc/64/17/68/1370641768.db2.gz CZZJXQRILUXASG-UHFFFAOYSA-N 2 2 334.508 3.262 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205314928 1370718867 /nfs/dbraw/zinc/71/88/67/1370718867.db2.gz DQFKRBKVFMPVQE-FZMZJTMJSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205314928 1370718872 /nfs/dbraw/zinc/71/88/72/1370718872.db2.gz DQFKRBKVFMPVQE-FZMZJTMJSA-N 2 2 341.293 3.183 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205318519 1370720153 /nfs/dbraw/zinc/72/01/53/1370720153.db2.gz VPULGRSIZDPWFG-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205318519 1370720156 /nfs/dbraw/zinc/72/01/56/1370720156.db2.gz VPULGRSIZDPWFG-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205332825 1370724186 /nfs/dbraw/zinc/72/41/86/1370724186.db2.gz UJLYRRBULZRKEB-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205332825 1370724189 /nfs/dbraw/zinc/72/41/89/1370724189.db2.gz UJLYRRBULZRKEB-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)nc3)CC2)cc[nH+]1 ZINC001205449792 1370759904 /nfs/dbraw/zinc/75/99/04/1370759904.db2.gz IVGTZUOVIWVOMT-UHFFFAOYSA-N 2 2 336.361 3.126 20 0 EGADLP CC/C=C/CC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521970 1370780110 /nfs/dbraw/zinc/78/01/10/1370780110.db2.gz KYFIQJOFXTUBPT-ONEGZZNKSA-N 2 2 340.471 3.361 20 0 EGADLP CC(C)=CC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205728683 1370853482 /nfs/dbraw/zinc/85/34/82/1370853482.db2.gz RMALNXHTXFSREW-UHFFFAOYSA-N 2 2 329.488 3.415 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Oc3cccnc3)cc2)CCC1(F)F ZINC001205787363 1370870394 /nfs/dbraw/zinc/87/03/94/1370870394.db2.gz GEHZXEBTSWZWIZ-HNNXBMFYSA-N 2 2 333.382 3.290 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3cccnc3)cc2)CCC1(F)F ZINC001205787363 1370870397 /nfs/dbraw/zinc/87/03/97/1370870397.db2.gz GEHZXEBTSWZWIZ-HNNXBMFYSA-N 2 2 333.382 3.290 20 0 EGADLP CC(C)(C)C(=O)Nc1ccccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796977 1370874705 /nfs/dbraw/zinc/87/47/05/1370874705.db2.gz WOOBMBJCAIAMNN-CQSZACIVSA-N 2 2 339.430 3.087 20 0 EGADLP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205796977 1370874708 /nfs/dbraw/zinc/87/47/08/1370874708.db2.gz WOOBMBJCAIAMNN-CQSZACIVSA-N 2 2 339.430 3.087 20 0 EGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813955 1370880164 /nfs/dbraw/zinc/88/01/64/1370880164.db2.gz AMXWLLUBHJQFFV-ZWNOBZJWSA-N 2 2 326.366 3.141 20 0 EGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813955 1370880169 /nfs/dbraw/zinc/88/01/69/1370880169.db2.gz AMXWLLUBHJQFFV-ZWNOBZJWSA-N 2 2 326.366 3.141 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350581 1370892079 /nfs/dbraw/zinc/89/20/79/1370892079.db2.gz GGJTUFWPHJTEKF-ZWKOTPCHSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350581 1370892082 /nfs/dbraw/zinc/89/20/82/1370892082.db2.gz GGJTUFWPHJTEKF-ZWKOTPCHSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)n(C)n1 ZINC001205905242 1370906163 /nfs/dbraw/zinc/90/61/63/1370906163.db2.gz OHXXJLHNNWOWNJ-ACRUOGEOSA-N 2 2 338.499 3.339 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)n(C)n1 ZINC001205905242 1370906165 /nfs/dbraw/zinc/90/61/65/1370906165.db2.gz OHXXJLHNNWOWNJ-ACRUOGEOSA-N 2 2 338.499 3.339 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n(C)n1 ZINC001205905242 1370906169 /nfs/dbraw/zinc/90/61/69/1370906169.db2.gz OHXXJLHNNWOWNJ-ACRUOGEOSA-N 2 2 338.499 3.339 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n(C)n1 ZINC001205905242 1370906171 /nfs/dbraw/zinc/90/61/71/1370906171.db2.gz OHXXJLHNNWOWNJ-ACRUOGEOSA-N 2 2 338.499 3.339 20 0 EGADLP Cc1nc(C)c(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)s1 ZINC001206151336 1370973772 /nfs/dbraw/zinc/97/37/72/1370973772.db2.gz SUFWZMOJXDGPSI-GOSISDBHSA-N 2 2 337.533 3.083 20 0 EGADLP Cc1nc(C)c(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)s1 ZINC001206151336 1370973773 /nfs/dbraw/zinc/97/37/73/1370973773.db2.gz SUFWZMOJXDGPSI-GOSISDBHSA-N 2 2 337.533 3.083 20 0 EGADLP Cc1nc(C)c(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001206151336 1370973776 /nfs/dbraw/zinc/97/37/76/1370973776.db2.gz SUFWZMOJXDGPSI-GOSISDBHSA-N 2 2 337.533 3.083 20 0 EGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)s1 ZINC001206151336 1370973778 /nfs/dbraw/zinc/97/37/78/1370973778.db2.gz SUFWZMOJXDGPSI-GOSISDBHSA-N 2 2 337.533 3.083 20 0 EGADLP Cn1cnc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccs2)c1 ZINC001206213513 1370995156 /nfs/dbraw/zinc/99/51/56/1370995156.db2.gz IKGQNTQAXNUNSG-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2cccs2)c1 ZINC001206213513 1370995162 /nfs/dbraw/zinc/99/51/62/1370995162.db2.gz IKGQNTQAXNUNSG-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2cccs2)c1 ZINC001206213513 1370995170 /nfs/dbraw/zinc/99/51/70/1370995170.db2.gz IKGQNTQAXNUNSG-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2cccs2)c1 ZINC001206213513 1370995173 /nfs/dbraw/zinc/99/51/73/1370995173.db2.gz IKGQNTQAXNUNSG-AYOQOUSVSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)c1 ZINC001206221190 1370996575 /nfs/dbraw/zinc/99/65/75/1370996575.db2.gz FXEPRUUZEODBST-UHFFFAOYSA-N 2 2 347.466 3.221 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238146 1371000140 /nfs/dbraw/zinc/00/01/40/1371000140.db2.gz INKPVRAEEGFSBZ-QGZVFWFLSA-N 2 2 346.519 3.238 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133978 1371013841 /nfs/dbraw/zinc/01/38/41/1371013841.db2.gz RYVNAMXLWKMJOT-WOJBJXKFSA-N 2 2 347.572 3.415 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133978 1371013843 /nfs/dbraw/zinc/01/38/43/1371013843.db2.gz RYVNAMXLWKMJOT-WOJBJXKFSA-N 2 2 347.572 3.415 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157377 1371015783 /nfs/dbraw/zinc/01/57/83/1371015783.db2.gz MCOVROGBMUVGAJ-PBHICJAKSA-N 2 2 348.878 3.297 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157377 1371015787 /nfs/dbraw/zinc/01/57/87/1371015787.db2.gz MCOVROGBMUVGAJ-PBHICJAKSA-N 2 2 348.878 3.297 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343542 1371028076 /nfs/dbraw/zinc/02/80/76/1371028076.db2.gz GJOCQYLUIXRMLL-LJQANCHMSA-N 2 2 330.451 3.142 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343542 1371028084 /nfs/dbraw/zinc/02/80/84/1371028084.db2.gz GJOCQYLUIXRMLL-LJQANCHMSA-N 2 2 330.451 3.142 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206378990 1371037831 /nfs/dbraw/zinc/03/78/31/1371037831.db2.gz HUBQVKYHSQBCAE-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206378990 1371037835 /nfs/dbraw/zinc/03/78/35/1371037835.db2.gz HUBQVKYHSQBCAE-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC001206540480 1371087975 /nfs/dbraw/zinc/08/79/75/1371087975.db2.gz SQYMZRBPOWJJPF-FQEVSTJZSA-N 2 2 338.451 3.140 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001206623354 1371111632 /nfs/dbraw/zinc/11/16/32/1371111632.db2.gz LGNNVAMADDXVQK-CYBMUJFWSA-N 2 2 342.940 3.348 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001206623354 1371111633 /nfs/dbraw/zinc/11/16/33/1371111633.db2.gz LGNNVAMADDXVQK-CYBMUJFWSA-N 2 2 342.940 3.348 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206633528 1371115594 /nfs/dbraw/zinc/11/55/94/1371115594.db2.gz XLJCOVGIOGXTNG-ZDUSSCGKSA-N 2 2 338.546 3.457 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206633528 1371115598 /nfs/dbraw/zinc/11/55/98/1371115598.db2.gz XLJCOVGIOGXTNG-ZDUSSCGKSA-N 2 2 338.546 3.457 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1F ZINC001206770935 1371159569 /nfs/dbraw/zinc/15/95/69/1371159569.db2.gz VCVLCHJAMOEVTD-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1F ZINC001206770935 1371159572 /nfs/dbraw/zinc/15/95/72/1371159572.db2.gz VCVLCHJAMOEVTD-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170627 /nfs/dbraw/zinc/17/06/27/1371170627.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170630 /nfs/dbraw/zinc/17/06/30/1371170630.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170633 /nfs/dbraw/zinc/17/06/33/1371170633.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797123 1371170638 /nfs/dbraw/zinc/17/06/38/1371170638.db2.gz UPXRNXIYRRMICD-WOJBJXKFSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)s1 ZINC001207058680 1371281731 /nfs/dbraw/zinc/28/17/31/1371281731.db2.gz HVRYYGSXKAQXFD-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP CC[N@H+](C)C1CC[NH+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207320048 1371360266 /nfs/dbraw/zinc/36/02/66/1371360266.db2.gz UOVUKEZBVOIDFT-QGZVFWFLSA-N 2 2 339.524 3.192 20 0 EGADLP CC[N@@H+](C)C1CC[NH+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207320048 1371360272 /nfs/dbraw/zinc/36/02/72/1371360272.db2.gz UOVUKEZBVOIDFT-QGZVFWFLSA-N 2 2 339.524 3.192 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001207421033 1371389060 /nfs/dbraw/zinc/38/90/60/1371389060.db2.gz DASUEKDKPRXPSN-QZTJIDSGSA-N 2 2 341.886 3.341 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120009863 1371453384 /nfs/dbraw/zinc/45/33/84/1371453384.db2.gz GPVWGBGKWFDIJS-AATRIKPKSA-N 2 2 346.519 3.118 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392036 1371559415 /nfs/dbraw/zinc/55/94/15/1371559415.db2.gz JLOUYFUVXQHYIP-IEBWSBKVSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392036 1371559418 /nfs/dbraw/zinc/55/94/18/1371559418.db2.gz JLOUYFUVXQHYIP-IEBWSBKVSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392036 1371559421 /nfs/dbraw/zinc/55/94/21/1371559421.db2.gz JLOUYFUVXQHYIP-IEBWSBKVSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392036 1371559423 /nfs/dbraw/zinc/55/94/23/1371559423.db2.gz JLOUYFUVXQHYIP-IEBWSBKVSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440636 1371578825 /nfs/dbraw/zinc/57/88/25/1371578825.db2.gz QHNNZCRKMPNYIW-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440636 1371578831 /nfs/dbraw/zinc/57/88/31/1371578831.db2.gz QHNNZCRKMPNYIW-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120469924 1371587912 /nfs/dbraw/zinc/58/79/12/1371587912.db2.gz NUVVJNRYAVLWIP-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120469924 1371587917 /nfs/dbraw/zinc/58/79/17/1371587917.db2.gz NUVVJNRYAVLWIP-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)c1 ZINC001208164975 1371614253 /nfs/dbraw/zinc/61/42/53/1371614253.db2.gz QKXNNVXOCYWYCY-HNNXBMFYSA-N 2 2 329.444 3.307 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175782 1371618868 /nfs/dbraw/zinc/61/88/68/1371618868.db2.gz NTOPSKXNCURCBY-ROUUACIJSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175782 1371618876 /nfs/dbraw/zinc/61/88/76/1371618876.db2.gz NTOPSKXNCURCBY-ROUUACIJSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175782 1371618915 /nfs/dbraw/zinc/61/89/15/1371618915.db2.gz NTOPSKXNCURCBY-ROUUACIJSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175782 1371618921 /nfs/dbraw/zinc/61/89/21/1371618921.db2.gz NTOPSKXNCURCBY-ROUUACIJSA-N 2 2 345.535 3.316 20 0 EGADLP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386620 1371746623 /nfs/dbraw/zinc/74/66/23/1371746623.db2.gz GNUASOFFCAFRFW-ROUUACIJSA-N 2 2 334.508 3.241 20 0 EGADLP CCOc1ccc(C(=O)C2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208606372 1371838455 /nfs/dbraw/zinc/83/84/55/1371838455.db2.gz FHNQETCGXDBERN-QGZVFWFLSA-N 2 2 344.499 3.322 20 0 EGADLP CCOc1ccc(C(=O)C2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208606372 1371838458 /nfs/dbraw/zinc/83/84/58/1371838458.db2.gz FHNQETCGXDBERN-QGZVFWFLSA-N 2 2 344.499 3.322 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCCc3ccccc3Cl)CC2)c1 ZINC001208873770 1371927499 /nfs/dbraw/zinc/92/74/99/1371927499.db2.gz DMSVDWJHWWOVMR-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CC[C@H](F)C[NH2+]C1CC2(CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC001121443629 1371976182 /nfs/dbraw/zinc/97/61/82/1371976182.db2.gz OZUTXYXYTNGTBI-AKJOHPPZSA-N 2 2 347.478 3.386 20 0 EGADLP CCCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121841534 1372098751 /nfs/dbraw/zinc/09/87/51/1372098751.db2.gz GBGMSMAURYCAOJ-FIXVGMIGSA-N 2 2 332.492 3.041 20 0 EGADLP CC[C@@H](C[NH+]1CCC(C)([NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001209471079 1372114939 /nfs/dbraw/zinc/11/49/39/1372114939.db2.gz AEXTVYYPNBZBHJ-INIZCTEOSA-N 2 2 339.524 3.240 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515641 1372126190 /nfs/dbraw/zinc/12/61/90/1372126190.db2.gz YTDOAHPKPUXRNW-IBGZPJMESA-N 2 2 327.472 3.243 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515641 1372126196 /nfs/dbraw/zinc/12/61/96/1372126196.db2.gz YTDOAHPKPUXRNW-IBGZPJMESA-N 2 2 327.472 3.243 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644386 1372160365 /nfs/dbraw/zinc/16/03/65/1372160365.db2.gz VEZBTYQTEWQUOJ-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644386 1372160368 /nfs/dbraw/zinc/16/03/68/1372160368.db2.gz VEZBTYQTEWQUOJ-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644386 1372160374 /nfs/dbraw/zinc/16/03/74/1372160374.db2.gz VEZBTYQTEWQUOJ-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644386 1372160379 /nfs/dbraw/zinc/16/03/79/1372160379.db2.gz VEZBTYQTEWQUOJ-VQTJNVASSA-N 2 2 337.467 3.044 20 0 EGADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)CO1 ZINC001209894992 1372226049 /nfs/dbraw/zinc/22/60/49/1372226049.db2.gz VKJVLOUZMMBWAE-HNNXBMFYSA-N 2 2 338.879 3.298 20 0 EGADLP COc1c[nH+]ccc1Nc1c(C)[nH+]c2c(Br)cc(C)cn12 ZINC001211262238 1372515055 /nfs/dbraw/zinc/51/50/55/1372515055.db2.gz DFZMAPWEDIKHPD-UHFFFAOYSA-N 2 2 347.216 3.283 20 0 EGADLP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001212669117 1372749657 /nfs/dbraw/zinc/74/96/57/1372749657.db2.gz HNYZQGJHASPUNV-UHFFFAOYSA-N 2 2 348.450 3.160 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130001497 1373444626 /nfs/dbraw/zinc/44/46/26/1373444626.db2.gz QRCWFAPXLGFYLS-HKUYNNGSSA-N 2 2 342.487 3.246 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001130269125 1373482021 /nfs/dbraw/zinc/48/20/21/1373482021.db2.gz ZZXNFIPBXVBLOC-CABCVRRESA-N 2 2 328.460 3.099 20 0 EGADLP C[C@@H]1C[C@@H](Oc2cccc(C(=O)C[N@H+](C)Cc3ccccc3)c2)C[NH2+]1 ZINC001218037331 1373544932 /nfs/dbraw/zinc/54/49/32/1373544932.db2.gz NZHVSKLCOMYYTF-OXQOHEQNSA-N 2 2 338.451 3.131 20 0 EGADLP C[C@@H]1C[C@@H](Oc2cccc(C(=O)C[N@@H+](C)Cc3ccccc3)c2)C[NH2+]1 ZINC001218037331 1373544935 /nfs/dbraw/zinc/54/49/35/1373544935.db2.gz NZHVSKLCOMYYTF-OXQOHEQNSA-N 2 2 338.451 3.131 20 0 EGADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)ccc21 ZINC001218911586 1373666548 /nfs/dbraw/zinc/66/65/48/1373666548.db2.gz AANPIBVQQWKYAX-KRWDZBQOSA-N 2 2 347.422 3.046 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(-c3cccc(O)c3)cc2)cc1 ZINC001219495682 1373712288 /nfs/dbraw/zinc/71/22/88/1373712288.db2.gz XVVUBSKLXKGVCZ-HXUWFJFHSA-N 2 2 347.418 3.270 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)c(C)[nH+]1 ZINC001131562645 1373721254 /nfs/dbraw/zinc/72/12/54/1373721254.db2.gz CWDHQODFGGAJPU-LJQANCHMSA-N 2 2 337.467 3.404 20 0 EGADLP Cc1cccc(CCC[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131560478 1373721551 /nfs/dbraw/zinc/72/15/51/1373721551.db2.gz PIEUWXIFPZKZRC-UHFFFAOYSA-N 2 2 339.483 3.267 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634961 1373785470 /nfs/dbraw/zinc/78/54/70/1373785470.db2.gz RLJRJYJIDRDBPZ-CEXWTWQISA-N 2 2 346.519 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634961 1373785477 /nfs/dbraw/zinc/78/54/77/1373785477.db2.gz RLJRJYJIDRDBPZ-CEXWTWQISA-N 2 2 346.519 3.049 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131975727 1375078207 /nfs/dbraw/zinc/07/82/07/1375078207.db2.gz BZLMTEZNJLAPGM-QGZVFWFLSA-N 2 2 348.450 3.261 20 0 EGADLP Cc1ccc(C[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC001131977242 1375079929 /nfs/dbraw/zinc/07/99/29/1375079929.db2.gz ZDOUHVBXAYHIQO-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132024430 1375104029 /nfs/dbraw/zinc/10/40/29/1375104029.db2.gz FSZCNLXJRTUYPK-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132024430 1375104032 /nfs/dbraw/zinc/10/40/32/1375104032.db2.gz FSZCNLXJRTUYPK-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132089953 1375140280 /nfs/dbraw/zinc/14/02/80/1375140280.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132089953 1375140282 /nfs/dbraw/zinc/14/02/82/1375140282.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132089953 1375140284 /nfs/dbraw/zinc/14/02/84/1375140284.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132089953 1375140286 /nfs/dbraw/zinc/14/02/86/1375140286.db2.gz BDRLUZRBHIPWKS-BGYNLAARSA-N 2 2 332.492 3.058 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132195427 1375201126 /nfs/dbraw/zinc/20/11/26/1375201126.db2.gz OSRLEFAYNCJDHH-DLBZAZTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCCC(C)(C)C ZINC001132195427 1375201128 /nfs/dbraw/zinc/20/11/28/1375201128.db2.gz OSRLEFAYNCJDHH-DLBZAZTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CC1CCCCCC1 ZINC001132221324 1375218309 /nfs/dbraw/zinc/21/83/09/1375218309.db2.gz FZJUYEBZKCSCJR-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CC1CCCCCC1 ZINC001132221324 1375218313 /nfs/dbraw/zinc/21/83/13/1375218313.db2.gz FZJUYEBZKCSCJR-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132546806 1375453198 /nfs/dbraw/zinc/45/31/98/1375453198.db2.gz RVWBLFLDJUKPOL-QZTJIDSGSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132546806 1375453200 /nfs/dbraw/zinc/45/32/00/1375453200.db2.gz RVWBLFLDJUKPOL-QZTJIDSGSA-N 2 2 348.535 3.459 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228852392 1375693150 /nfs/dbraw/zinc/69/31/50/1375693150.db2.gz KFMKGIOHFJIBPO-WCPOWXKZSA-N 2 2 332.492 3.208 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133245714 1375866972 /nfs/dbraw/zinc/86/69/72/1375866972.db2.gz JSIPITOWBWMDBT-DLBZAZTESA-N 2 2 348.535 3.198 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133287849 1375898068 /nfs/dbraw/zinc/89/80/68/1375898068.db2.gz FHLJQSSYPYCRHV-ZWKOTPCHSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cccc2cc(C[N@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc12 ZINC001231653004 1376293691 /nfs/dbraw/zinc/29/36/91/1376293691.db2.gz VXSLCOQZTTUAEG-UHFFFAOYSA-N 2 2 326.831 3.451 20 0 EGADLP Cc1cccc2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc12 ZINC001231653004 1376293697 /nfs/dbraw/zinc/29/36/97/1376293697.db2.gz VXSLCOQZTTUAEG-UHFFFAOYSA-N 2 2 326.831 3.451 20 0 EGADLP COc1c(Cl)cc(C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC001231722314 1376303701 /nfs/dbraw/zinc/30/37/01/1376303701.db2.gz KUOWOLUXICQPEN-UHFFFAOYSA-N 2 2 349.700 3.495 20 0 EGADLP COc1c(Cl)cc(C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC001231722314 1376303708 /nfs/dbraw/zinc/30/37/08/1376303708.db2.gz KUOWOLUXICQPEN-UHFFFAOYSA-N 2 2 349.700 3.495 20 0 EGADLP CCCOc1ncccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001231865542 1376326826 /nfs/dbraw/zinc/32/68/26/1376326826.db2.gz PVTJJYZONCSZSW-KRWDZBQOSA-N 2 2 327.428 3.227 20 0 EGADLP CCCOc1ncccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001231865542 1376326833 /nfs/dbraw/zinc/32/68/33/1376326833.db2.gz PVTJJYZONCSZSW-KRWDZBQOSA-N 2 2 327.428 3.227 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c[nH]nc5c4)C[C@@H]3C2)c1 ZINC001231907432 1376344057 /nfs/dbraw/zinc/34/40/57/1376344057.db2.gz MMGUVMDRIAVRJC-IAGOWNOFSA-N 2 2 338.480 3.188 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cnc1F ZINC001231926819 1376352294 /nfs/dbraw/zinc/35/22/94/1376352294.db2.gz FTJQIFGUMBRZNB-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cnc1F ZINC001231926819 1376352298 /nfs/dbraw/zinc/35/22/98/1376352298.db2.gz FTJQIFGUMBRZNB-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cnc1F ZINC001231926819 1376352301 /nfs/dbraw/zinc/35/23/01/1376352301.db2.gz FTJQIFGUMBRZNB-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC001231926819 1376352306 /nfs/dbraw/zinc/35/23/06/1376352306.db2.gz FTJQIFGUMBRZNB-GOSISDBHSA-N 2 2 327.447 3.483 20 0 EGADLP COc1ccnc(Cl)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232154771 1376409964 /nfs/dbraw/zinc/40/99/64/1376409964.db2.gz CPVRKHQPBSXIJT-UHFFFAOYSA-N 2 2 325.884 3.296 20 0 EGADLP COc1ccnc(Cl)c1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232154771 1376409967 /nfs/dbraw/zinc/40/99/67/1376409967.db2.gz CPVRKHQPBSXIJT-UHFFFAOYSA-N 2 2 325.884 3.296 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnsc3)C[C@H]21 ZINC001232228138 1376420108 /nfs/dbraw/zinc/42/01/08/1376420108.db2.gz MRHPNSXVIMQXCF-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnsc3)C[C@H]21 ZINC001232228138 1376420112 /nfs/dbraw/zinc/42/01/12/1376420112.db2.gz MRHPNSXVIMQXCF-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnsc3)C[C@H]21 ZINC001232228138 1376420117 /nfs/dbraw/zinc/42/01/17/1376420117.db2.gz MRHPNSXVIMQXCF-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnsc3)C[C@H]21 ZINC001232228138 1376420118 /nfs/dbraw/zinc/42/01/18/1376420118.db2.gz MRHPNSXVIMQXCF-BHIYHBOVSA-N 2 2 342.512 3.271 20 0 EGADLP COc1cc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cn1 ZINC001232349729 1376446140 /nfs/dbraw/zinc/44/61/40/1376446140.db2.gz HMBOJTJTPGMLTI-IAGOWNOFSA-N 2 2 343.496 3.024 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3Cl)C[C@@H]2C1 ZINC001232596710 1376487111 /nfs/dbraw/zinc/48/71/11/1376487111.db2.gz RTAWWMJERWUIPT-IRXDYDNUSA-N 2 2 344.890 3.299 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402495 1376511855 /nfs/dbraw/zinc/51/18/55/1376511855.db2.gz FBBZXIIJMAYKLG-IAGOWNOFSA-N 2 2 348.535 3.215 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)c1 ZINC001134544922 1376583964 /nfs/dbraw/zinc/58/39/64/1376583964.db2.gz KDAFPMJYDQQQMY-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)c1 ZINC001134544922 1376583970 /nfs/dbraw/zinc/58/39/70/1376583970.db2.gz KDAFPMJYDQQQMY-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001134544251 1376584807 /nfs/dbraw/zinc/58/48/07/1376584807.db2.gz FBHSTSJXQBXNQV-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001134544251 1376584813 /nfs/dbraw/zinc/58/48/13/1376584813.db2.gz FBHSTSJXQBXNQV-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729786 1376681794 /nfs/dbraw/zinc/68/17/94/1376681794.db2.gz MTCWLQJOWHDPKL-HUUCEWRRSA-N 2 2 336.524 3.236 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccsc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970209 1376817950 /nfs/dbraw/zinc/81/79/50/1376817950.db2.gz QDPBLARPJDRIOH-ZIAGYGMSSA-N 2 2 342.468 3.083 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC(C)(C)C ZINC001134971400 1376819184 /nfs/dbraw/zinc/81/91/84/1376819184.db2.gz XLNNFYDSIMUNOD-CABCVRRESA-N 2 2 330.476 3.257 20 0 EGADLP COCC[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)C1CC[NH+](C)CC1 ZINC001235035667 1376835589 /nfs/dbraw/zinc/83/55/89/1376835589.db2.gz AJVRBNXYOXQVOE-UHFFFAOYSA-N 2 2 345.462 3.363 20 0 EGADLP COCC[N@@H+](Cc1c[nH]c(-c2ccccc2F)c1)C1CC[NH+](C)CC1 ZINC001235035667 1376835594 /nfs/dbraw/zinc/83/55/94/1376835594.db2.gz AJVRBNXYOXQVOE-UHFFFAOYSA-N 2 2 345.462 3.363 20 0 EGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114791 1376846000 /nfs/dbraw/zinc/84/60/00/1376846000.db2.gz NPKIQDQZORVESF-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP c1cc(-c2ccccc2)sc1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114791 1376846002 /nfs/dbraw/zinc/84/60/02/1376846002.db2.gz NPKIQDQZORVESF-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)c1 ZINC001235116070 1376848695 /nfs/dbraw/zinc/84/86/95/1376848695.db2.gz ILNYHWXVOTXSHN-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP c1csc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)c1 ZINC001235116070 1376848700 /nfs/dbraw/zinc/84/87/00/1376848700.db2.gz ILNYHWXVOTXSHN-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235120512 1376851220 /nfs/dbraw/zinc/85/12/20/1376851220.db2.gz SNUGYPVTMRHTGE-FQEVSTJZSA-N 2 2 332.488 3.045 20 0 EGADLP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235120512 1376851227 /nfs/dbraw/zinc/85/12/27/1376851227.db2.gz SNUGYPVTMRHTGE-FQEVSTJZSA-N 2 2 332.488 3.045 20 0 EGADLP c1ccc(Cc2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235122771 1376852456 /nfs/dbraw/zinc/85/24/56/1376852456.db2.gz ZCSDHZGKAJWNEX-JOCHJYFZSA-N 2 2 336.479 3.232 20 0 EGADLP c1ccc(Cc2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235122771 1376852465 /nfs/dbraw/zinc/85/24/65/1376852465.db2.gz ZCSDHZGKAJWNEX-JOCHJYFZSA-N 2 2 336.479 3.232 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235245467 1376862828 /nfs/dbraw/zinc/86/28/28/1376862828.db2.gz NXEPONFTMVVVBQ-RHSMWYFYSA-N 2 2 346.272 3.311 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235245467 1376862832 /nfs/dbraw/zinc/86/28/32/1376862832.db2.gz NXEPONFTMVVVBQ-RHSMWYFYSA-N 2 2 346.272 3.311 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135135882 1376926323 /nfs/dbraw/zinc/92/63/23/1376926323.db2.gz CQGHURAEOAGBIM-IAGOWNOFSA-N 2 2 334.508 3.117 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC001135135884 1376926552 /nfs/dbraw/zinc/92/65/52/1376926552.db2.gz CQGHURAEOAGBIM-SJORKVTESA-N 2 2 334.508 3.117 20 0 EGADLP CCOC(=O)c1ccc2c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236240162 1376944244 /nfs/dbraw/zinc/94/42/44/1376944244.db2.gz LGXDBGRGQFXAQL-KRWDZBQOSA-N 2 2 341.455 3.061 20 0 EGADLP CCOC(=O)c1ccc2c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236240162 1376944246 /nfs/dbraw/zinc/94/42/46/1376944246.db2.gz LGXDBGRGQFXAQL-KRWDZBQOSA-N 2 2 341.455 3.061 20 0 EGADLP COCC[N@H+](CCCc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236331749 1376950024 /nfs/dbraw/zinc/95/00/24/1376950024.db2.gz YYBQZRYMHHWIFP-MRXNPFEDSA-N 2 2 344.421 3.338 20 0 EGADLP COCC[N@@H+](CCCc1ccccc1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC001236331749 1376950039 /nfs/dbraw/zinc/95/00/39/1376950039.db2.gz YYBQZRYMHHWIFP-MRXNPFEDSA-N 2 2 344.421 3.338 20 0 EGADLP [NH3+][C@@H](C[NH2+][C@H]1Cc2ccc(Br)cc2C1)c1ccccc1 ZINC001246292763 1377050947 /nfs/dbraw/zinc/05/09/47/1377050947.db2.gz QHHYHECFCWPPJG-IRXDYDNUSA-N 2 2 331.257 3.206 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552226 1377142071 /nfs/dbraw/zinc/14/20/71/1377142071.db2.gz CIQOSBGAMFXHFW-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001136030721 1377304682 /nfs/dbraw/zinc/30/46/82/1377304682.db2.gz BGNTURVJXSAZIY-GJZGRUSLSA-N 2 2 348.535 3.350 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001136031784 1377305564 /nfs/dbraw/zinc/30/55/64/1377305564.db2.gz PWWOURHDOPWCOC-HUUCEWRRSA-N 2 2 334.508 3.104 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001136759725 1377420984 /nfs/dbraw/zinc/42/09/84/1377420984.db2.gz LMXZCATYEHVNGD-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001136759725 1377420985 /nfs/dbraw/zinc/42/09/85/1377420985.db2.gz LMXZCATYEHVNGD-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@H]3C2)c1 ZINC001137023337 1377459900 /nfs/dbraw/zinc/45/99/00/1377459900.db2.gz LULPEJPANQISFF-OALUTQOASA-N 2 2 340.492 3.342 20 0 EGADLP c1cc(N2CCCC2)oc1C[N@@H+]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001137071817 1377473225 /nfs/dbraw/zinc/47/32/25/1377473225.db2.gz DQLZPCBYROWALJ-KRWDZBQOSA-N 2 2 327.428 3.318 20 0 EGADLP c1cc(N2CCCC2)oc1C[N@H+]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001137071817 1377473226 /nfs/dbraw/zinc/47/32/26/1377473226.db2.gz DQLZPCBYROWALJ-KRWDZBQOSA-N 2 2 327.428 3.318 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2nccnc2c1 ZINC001137091303 1377476148 /nfs/dbraw/zinc/47/61/48/1377476148.db2.gz VSVQFPGXDWQFCB-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2nccnc2c1 ZINC001137091303 1377476150 /nfs/dbraw/zinc/47/61/50/1377476150.db2.gz VSVQFPGXDWQFCB-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC001137102407 1377478105 /nfs/dbraw/zinc/47/81/05/1377478105.db2.gz UJFKPNSINDFONE-SFHVURJKSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2-n2cccn2)C1 ZINC001137102407 1377478106 /nfs/dbraw/zinc/47/81/06/1377478106.db2.gz UJFKPNSINDFONE-SFHVURJKSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)[nH]nc21 ZINC001137148197 1377485934 /nfs/dbraw/zinc/48/59/34/1377485934.db2.gz VNKFGYKLRQUMKG-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)nc2ccccn12 ZINC001137274169 1377508266 /nfs/dbraw/zinc/50/82/66/1377508266.db2.gz JHCPELCNDVBMAW-ROUUACIJSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)nc2ccccn12 ZINC001137274169 1377508272 /nfs/dbraw/zinc/50/82/72/1377508272.db2.gz JHCPELCNDVBMAW-ROUUACIJSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc2ccccn12 ZINC001137274169 1377508275 /nfs/dbraw/zinc/50/82/75/1377508275.db2.gz JHCPELCNDVBMAW-ROUUACIJSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc2ccccn12 ZINC001137274169 1377508277 /nfs/dbraw/zinc/50/82/77/1377508277.db2.gz JHCPELCNDVBMAW-ROUUACIJSA-N 2 2 326.488 3.482 20 0 EGADLP Clc1ncccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137423854 1377546414 /nfs/dbraw/zinc/54/64/14/1377546414.db2.gz VRPIMPWGJMYOAD-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ncccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137423854 1377546416 /nfs/dbraw/zinc/54/64/16/1377546416.db2.gz VRPIMPWGJMYOAD-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ncccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001137423854 1377546421 /nfs/dbraw/zinc/54/64/21/1377546421.db2.gz VRPIMPWGJMYOAD-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5ncccc45)C[C@@H]3C2)nc1 ZINC001137626029 1377574875 /nfs/dbraw/zinc/57/48/75/1377574875.db2.gz YHLJCYCZGKLTFH-RTBURBONSA-N 2 2 344.462 3.194 20 0 EGADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001271459498 1377632727 /nfs/dbraw/zinc/63/27/27/1377632727.db2.gz UJWMHNDSDZCNCJ-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138111866 1377678814 /nfs/dbraw/zinc/67/88/14/1377678814.db2.gz UIJMUIPSKPNBLV-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138111866 1377678817 /nfs/dbraw/zinc/67/88/17/1377678817.db2.gz UIJMUIPSKPNBLV-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)cc[nH+]1 ZINC001138285211 1377697425 /nfs/dbraw/zinc/69/74/25/1377697425.db2.gz YFHVTUVFAVZWHD-UHFFFAOYSA-N 2 2 340.471 3.285 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001138398161 1377717239 /nfs/dbraw/zinc/71/72/39/1377717239.db2.gz PDKQKPCHIRWBSZ-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc2c1 ZINC001138415642 1377720667 /nfs/dbraw/zinc/72/06/67/1377720667.db2.gz KDUPEVILMQYHLY-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001138547898 1377740103 /nfs/dbraw/zinc/74/01/03/1377740103.db2.gz VUEPSDZRLBENKL-SFHVURJKSA-N 2 2 341.455 3.487 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001138547898 1377740104 /nfs/dbraw/zinc/74/01/04/1377740104.db2.gz VUEPSDZRLBENKL-SFHVURJKSA-N 2 2 341.455 3.487 20 0 EGADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138642651 1377761023 /nfs/dbraw/zinc/76/10/23/1377761023.db2.gz ITVCOVMTIZNEDA-CALCHBBNSA-N 2 2 344.528 3.145 20 0 EGADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138642651 1377761025 /nfs/dbraw/zinc/76/10/25/1377761025.db2.gz ITVCOVMTIZNEDA-CALCHBBNSA-N 2 2 344.528 3.145 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138642651 1377761030 /nfs/dbraw/zinc/76/10/30/1377761030.db2.gz ITVCOVMTIZNEDA-CALCHBBNSA-N 2 2 344.528 3.145 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138642651 1377761035 /nfs/dbraw/zinc/76/10/35/1377761035.db2.gz ITVCOVMTIZNEDA-CALCHBBNSA-N 2 2 344.528 3.145 20 0 EGADLP c1cc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2o1 ZINC001138823172 1377792078 /nfs/dbraw/zinc/79/20/78/1377792078.db2.gz QVQBTESKODBKPJ-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2o1 ZINC001138823172 1377792083 /nfs/dbraw/zinc/79/20/83/1377792083.db2.gz QVQBTESKODBKPJ-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)ccc2o1 ZINC001138823172 1377792084 /nfs/dbraw/zinc/79/20/84/1377792084.db2.gz QVQBTESKODBKPJ-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)ccc2o1 ZINC001138823172 1377792089 /nfs/dbraw/zinc/79/20/89/1377792089.db2.gz QVQBTESKODBKPJ-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139055064 1377822537 /nfs/dbraw/zinc/82/25/37/1377822537.db2.gz JKMNOKAAEOJWTR-UHFFFAOYSA-N 2 2 338.442 3.386 20 0 EGADLP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139055064 1377822540 /nfs/dbraw/zinc/82/25/40/1377822540.db2.gz JKMNOKAAEOJWTR-UHFFFAOYSA-N 2 2 338.442 3.386 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc3cc(Br)ccc3[nH]1)C2 ZINC001139186779 1377846197 /nfs/dbraw/zinc/84/61/97/1377846197.db2.gz ZRUOBXJTTJQEGG-CXAGYDPISA-N 2 2 348.288 3.314 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc3cc(Br)ccc3[nH]1)C2 ZINC001139186779 1377846199 /nfs/dbraw/zinc/84/61/99/1377846199.db2.gz ZRUOBXJTTJQEGG-CXAGYDPISA-N 2 2 348.288 3.314 20 0 EGADLP CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139355857 1377872645 /nfs/dbraw/zinc/87/26/45/1377872645.db2.gz CGXFAAUBJKLXKW-FQEVSTJZSA-N 2 2 341.455 3.428 20 0 EGADLP CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139355857 1377872646 /nfs/dbraw/zinc/87/26/46/1377872646.db2.gz CGXFAAUBJKLXKW-FQEVSTJZSA-N 2 2 341.455 3.428 20 0 EGADLP FC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C(F)(F)F ZINC001139357857 1377873928 /nfs/dbraw/zinc/87/39/28/1377873928.db2.gz ITSHAFUCODAQAQ-UKRRQHHQSA-N 2 2 327.325 3.452 20 0 EGADLP FC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C(F)(F)F ZINC001139357857 1377873930 /nfs/dbraw/zinc/87/39/30/1377873930.db2.gz ITSHAFUCODAQAQ-UKRRQHHQSA-N 2 2 327.325 3.452 20 0 EGADLP CCc1nnc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)o1 ZINC001139363125 1377874696 /nfs/dbraw/zinc/87/46/96/1377874696.db2.gz XAGJWBCOQMZHLD-UHFFFAOYSA-N 2 2 337.427 3.197 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139363469 1377874723 /nfs/dbraw/zinc/87/47/23/1377874723.db2.gz DITKRNYCMPPQGY-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139363469 1377874724 /nfs/dbraw/zinc/87/47/24/1377874724.db2.gz DITKRNYCMPPQGY-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP CC[N@H+](C)Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001139707840 1377938675 /nfs/dbraw/zinc/93/86/75/1377938675.db2.gz VQIFHILPAKYIBJ-UHFFFAOYSA-N 2 2 347.503 3.191 20 0 EGADLP CC[N@@H+](C)Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001139707840 1377938681 /nfs/dbraw/zinc/93/86/81/1377938681.db2.gz VQIFHILPAKYIBJ-UHFFFAOYSA-N 2 2 347.503 3.191 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(OC)cc4)s3)C[C@@H]2C1 ZINC001139796376 1377952444 /nfs/dbraw/zinc/95/24/44/1377952444.db2.gz SYBIRYWOKYDIDM-IYBDPMFKSA-N 2 2 343.496 3.202 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(OC)cc4)s3)C[C@@H]2C1 ZINC001139796376 1377952447 /nfs/dbraw/zinc/95/24/47/1377952447.db2.gz SYBIRYWOKYDIDM-IYBDPMFKSA-N 2 2 343.496 3.202 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(OC)cc4)s3)C[C@@H]2C1 ZINC001139796376 1377952450 /nfs/dbraw/zinc/95/24/50/1377952450.db2.gz SYBIRYWOKYDIDM-IYBDPMFKSA-N 2 2 343.496 3.202 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccc(OC)cc4)s3)C[C@@H]2C1 ZINC001139796376 1377952455 /nfs/dbraw/zinc/95/24/55/1377952455.db2.gz SYBIRYWOKYDIDM-IYBDPMFKSA-N 2 2 343.496 3.202 20 0 EGADLP Cn1ncc2cc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC001139958277 1377983717 /nfs/dbraw/zinc/98/37/17/1377983717.db2.gz XQYNROBAKBLWET-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1ncc2cc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC001139958277 1377983718 /nfs/dbraw/zinc/98/37/18/1377983718.db2.gz XQYNROBAKBLWET-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP COC(=O)C[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCCC1 ZINC001140026658 1377991778 /nfs/dbraw/zinc/99/17/78/1377991778.db2.gz OYYRFOQJCSCELE-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)C[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCCC1 ZINC001140026658 1377991779 /nfs/dbraw/zinc/99/17/79/1377991779.db2.gz OYYRFOQJCSCELE-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001140027949 1377993081 /nfs/dbraw/zinc/99/30/81/1377993081.db2.gz IFIUPEAYBZJYQB-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001140027949 1377993084 /nfs/dbraw/zinc/99/30/84/1377993084.db2.gz IFIUPEAYBZJYQB-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP CCOC(=O)C[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCCC1 ZINC001140027609 1377993259 /nfs/dbraw/zinc/99/32/59/1377993259.db2.gz RZDILSZXRUXPDA-UHFFFAOYSA-N 2 2 341.455 3.488 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C1CCCC1 ZINC001140027609 1377993262 /nfs/dbraw/zinc/99/32/62/1377993262.db2.gz RZDILSZXRUXPDA-UHFFFAOYSA-N 2 2 341.455 3.488 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2n[nH]c3ccc(C)cc32)CC1 ZINC001140327007 1378046463 /nfs/dbraw/zinc/04/64/63/1378046463.db2.gz JQHJPWRAJJIPOX-UHFFFAOYSA-N 2 2 335.455 3.314 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2[nH]nc3ccc(C)cc32)CC1 ZINC001140327007 1378046465 /nfs/dbraw/zinc/04/64/65/1378046465.db2.gz JQHJPWRAJJIPOX-UHFFFAOYSA-N 2 2 335.455 3.314 20 0 EGADLP Cn1cnc2cc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC001140509874 1378076118 /nfs/dbraw/zinc/07/61/18/1378076118.db2.gz VLVXBFNDFTWFNN-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1cnc2cc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC001140509874 1378076120 /nfs/dbraw/zinc/07/61/20/1378076120.db2.gz VLVXBFNDFTWFNN-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140590468 1378090937 /nfs/dbraw/zinc/09/09/37/1378090937.db2.gz HPOFTHPUIHMOIR-RTBURBONSA-N 2 2 325.431 3.093 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807293 1378146043 /nfs/dbraw/zinc/14/60/43/1378146043.db2.gz UGKCLJOGYLIRSM-OAHLLOKOSA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807293 1378146046 /nfs/dbraw/zinc/14/60/46/1378146046.db2.gz UGKCLJOGYLIRSM-OAHLLOKOSA-N 2 2 344.459 3.442 20 0 EGADLP Brc1cnc2c(c1)C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140807027 1378147155 /nfs/dbraw/zinc/14/71/55/1378147155.db2.gz IPQVQIIVLLSARM-UHFFFAOYSA-N 2 2 343.228 3.279 20 0 EGADLP Brc1cnc2c(c1)C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140807027 1378147157 /nfs/dbraw/zinc/14/71/57/1378147157.db2.gz IPQVQIIVLLSARM-UHFFFAOYSA-N 2 2 343.228 3.279 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccn5ccnc5c4)C[C@@H]3C2)cc1 ZINC001141048154 1378220840 /nfs/dbraw/zinc/22/08/40/1378220840.db2.gz GMBPKZSIHKRTGM-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccn5ccnc5c4)C[C@@H]3C2)cc1 ZINC001141048154 1378220845 /nfs/dbraw/zinc/22/08/45/1378220845.db2.gz GMBPKZSIHKRTGM-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccn5ccnc5c4)C[C@@H]3C2)cc1 ZINC001141048154 1378220849 /nfs/dbraw/zinc/22/08/49/1378220849.db2.gz GMBPKZSIHKRTGM-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccn5ccnc5c4)C[C@@H]3C2)cc1 ZINC001141048154 1378220855 /nfs/dbraw/zinc/22/08/55/1378220855.db2.gz GMBPKZSIHKRTGM-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@H]3COCC)CC2)c[nH+]1 ZINC001141070652 1378227671 /nfs/dbraw/zinc/22/76/71/1378227671.db2.gz KIESANGINTXOEA-QGZVFWFLSA-N 2 2 349.519 3.408 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465023 1378328647 /nfs/dbraw/zinc/32/86/47/1378328647.db2.gz UPGYZEXVTBCRBK-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465023 1378328653 /nfs/dbraw/zinc/32/86/53/1378328653.db2.gz UPGYZEXVTBCRBK-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465023 1378328660 /nfs/dbraw/zinc/32/86/60/1378328660.db2.gz UPGYZEXVTBCRBK-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465023 1378328666 /nfs/dbraw/zinc/32/86/66/1378328666.db2.gz UPGYZEXVTBCRBK-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP Cc1ccc(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC2)cc1 ZINC001280488307 1378350663 /nfs/dbraw/zinc/35/06/63/1378350663.db2.gz RHUMOUURDMFNSW-UHFFFAOYSA-N 2 2 348.450 3.314 20 0 EGADLP CC(C)(C)c1nc[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001142230885 1378422777 /nfs/dbraw/zinc/42/27/77/1378422777.db2.gz UCLVEMUIBRZMEI-QZTJIDSGSA-N 2 2 338.499 3.271 20 0 EGADLP c1nc2c(cccc2C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC001142686714 1378476529 /nfs/dbraw/zinc/47/65/29/1378476529.db2.gz HMIPAHTYNINHMO-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c2[nH]1 ZINC001142686714 1378476532 /nfs/dbraw/zinc/47/65/32/1378476532.db2.gz HMIPAHTYNINHMO-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)nn2C)C1 ZINC001143016757 1378525585 /nfs/dbraw/zinc/52/55/85/1378525585.db2.gz HDFSZFCRDWYEDF-LJQANCHMSA-N 2 2 348.450 3.444 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)nn2C)C1 ZINC001143016757 1378525587 /nfs/dbraw/zinc/52/55/87/1378525587.db2.gz HDFSZFCRDWYEDF-LJQANCHMSA-N 2 2 348.450 3.444 20 0 EGADLP CC(C)[N@H+](Cc1cc(-c2ccccc2)nn1C)C1CC[NH+](C)CC1 ZINC001143017309 1378526198 /nfs/dbraw/zinc/52/61/98/1378526198.db2.gz UXNIWVZCZCJBKK-UHFFFAOYSA-N 2 2 326.488 3.392 20 0 EGADLP CC(C)[N@@H+](Cc1cc(-c2ccccc2)nn1C)C1CC[NH+](C)CC1 ZINC001143017309 1378526204 /nfs/dbraw/zinc/52/62/04/1378526204.db2.gz UXNIWVZCZCJBKK-UHFFFAOYSA-N 2 2 326.488 3.392 20 0 EGADLP C[N@@H+](Cc1ccc2nccn2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001143028155 1378528424 /nfs/dbraw/zinc/52/84/24/1378528424.db2.gz VVPVEAOMGOVCCH-FQEVSTJZSA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1ccc2nccn2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001143028155 1378528426 /nfs/dbraw/zinc/52/84/26/1378528426.db2.gz VVPVEAOMGOVCCH-FQEVSTJZSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1ccc2nccn2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001143028155 1378528429 /nfs/dbraw/zinc/52/84/29/1378528429.db2.gz VVPVEAOMGOVCCH-FQEVSTJZSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1ccc2nccn2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143028155 1378528433 /nfs/dbraw/zinc/52/84/33/1378528433.db2.gz VVPVEAOMGOVCCH-FQEVSTJZSA-N 2 2 334.467 3.288 20 0 EGADLP COC(=O)c1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2c1 ZINC001143227293 1378566078 /nfs/dbraw/zinc/56/60/78/1378566078.db2.gz QVUYNLPWHDAAIJ-UHFFFAOYSA-N 2 2 341.455 3.015 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC001143237437 1378567359 /nfs/dbraw/zinc/56/73/59/1378567359.db2.gz KDXSSMXTYJVUOL-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP Cc1ccc(C(F)(F)F)c(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1 ZINC001143680627 1378633980 /nfs/dbraw/zinc/63/39/80/1378633980.db2.gz GJCCCFLNXDVFPG-UHFFFAOYSA-N 2 2 343.437 3.083 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn2cc[nH+]c2)cs1 ZINC001146713288 1378905921 /nfs/dbraw/zinc/90/59/21/1378905921.db2.gz IZYKYLAMHMNXPN-GJZGRUSLSA-N 2 2 348.516 3.106 20 0 EGADLP Cc1nc(NCC[C@@H]2CCOC23C[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001155479356 1380458505 /nfs/dbraw/zinc/45/85/05/1380458505.db2.gz WBUGAVWBAMOIOW-MRXNPFEDSA-N 2 2 330.476 3.013 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521170 1380464227 /nfs/dbraw/zinc/46/42/27/1380464227.db2.gz GODBZBNAADCYNC-DLBZAZTESA-N 2 2 336.524 3.487 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521170 1380464229 /nfs/dbraw/zinc/46/42/29/1380464229.db2.gz GODBZBNAADCYNC-DLBZAZTESA-N 2 2 336.524 3.487 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001328082599 1388665439 /nfs/dbraw/zinc/66/54/39/1388665439.db2.gz PJCCEQUHBNSANL-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001328082599 1388665445 /nfs/dbraw/zinc/66/54/45/1388665445.db2.gz PJCCEQUHBNSANL-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384109 1380568909 /nfs/dbraw/zinc/56/89/09/1380568909.db2.gz XRLLZUUEDBSOGQ-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384109 1380568911 /nfs/dbraw/zinc/56/89/11/1380568911.db2.gz XRLLZUUEDBSOGQ-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP C[NH+]1CCN(c2cccc(NC3CCC(C(F)(F)F)CC3)[nH+]2)CC1 ZINC001156413650 1380573260 /nfs/dbraw/zinc/57/32/60/1380573260.db2.gz DXQUCWDNDQJCCA-UHFFFAOYSA-N 2 2 342.409 3.366 20 0 EGADLP CC(C)[NH+]1CCC(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC001156502869 1380585122 /nfs/dbraw/zinc/58/51/22/1380585122.db2.gz ZHYIGIUVZFBZNI-INIZCTEOSA-N 2 2 331.508 3.245 20 0 EGADLP CC(C)[NH+]1CCC(CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC001156502869 1380585124 /nfs/dbraw/zinc/58/51/24/1380585124.db2.gz ZHYIGIUVZFBZNI-INIZCTEOSA-N 2 2 331.508 3.245 20 0 EGADLP Fc1cccc(F)c1[C@H]1CCCN1c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001156940401 1380734723 /nfs/dbraw/zinc/73/47/23/1380734723.db2.gz QJSHNAIYZAWXGO-QGZVFWFLSA-N 2 2 344.409 3.111 20 0 EGADLP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957755 1381081907 /nfs/dbraw/zinc/08/19/07/1381081907.db2.gz IQPZRJWKKJBAHN-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001157957755 1381081911 /nfs/dbraw/zinc/08/19/11/1381081911.db2.gz IQPZRJWKKJBAHN-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP [NH3+][C@@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC001157971272 1381087587 /nfs/dbraw/zinc/08/75/87/1381087587.db2.gz WVZKZEHOYYMPSF-LEWJYISDSA-N 2 2 345.446 3.013 20 0 EGADLP Cc1c(Cl)ccc2ccc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)nc12 ZINC001158259988 1381175533 /nfs/dbraw/zinc/17/55/33/1381175533.db2.gz BQCRMUIKAZOHTB-HNNXBMFYSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1c(Cl)ccc2ccc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)nc12 ZINC001158259988 1381175539 /nfs/dbraw/zinc/17/55/39/1381175539.db2.gz BQCRMUIKAZOHTB-HNNXBMFYSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N(C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001158580677 1381308071 /nfs/dbraw/zinc/30/80/71/1381308071.db2.gz JBSPGFYXIPCWGF-UHFFFAOYSA-N 3 2 338.499 3.196 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1[nH+][nH]c(Cl)c2ncnc1-2 ZINC001158737975 1381376268 /nfs/dbraw/zinc/37/62/68/1381376268.db2.gz ODPHLRZWMUZUQH-NSHDSACASA-N 2 2 328.807 3.246 20 0 EGADLP COc1cc2[nH+]c(C)nc(NC(C)(C)CC[NH+](C)C)c2cc1OC ZINC001158758223 1381386184 /nfs/dbraw/zinc/38/61/84/1381386184.db2.gz VORCHUCGERKKFU-UHFFFAOYSA-N 2 2 332.448 3.098 20 0 EGADLP Fc1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159537723 1381820947 /nfs/dbraw/zinc/82/09/47/1381820947.db2.gz NZMLUUXVWILBCX-UHFFFAOYSA-N 2 2 337.402 3.369 20 0 EGADLP Cc1cc[nH+]c2cc(Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)ccc12 ZINC001159735828 1381885196 /nfs/dbraw/zinc/88/51/96/1381885196.db2.gz HGFUMJBBSSQLSC-UHFFFAOYSA-N 2 2 346.434 3.332 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330752 1382075802 /nfs/dbraw/zinc/07/58/02/1382075802.db2.gz KFSWCSVIKAYJLA-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330752 1382075806 /nfs/dbraw/zinc/07/58/06/1382075806.db2.gz KFSWCSVIKAYJLA-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330752 1382075811 /nfs/dbraw/zinc/07/58/11/1382075811.db2.gz KFSWCSVIKAYJLA-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330752 1382075818 /nfs/dbraw/zinc/07/58/18/1382075818.db2.gz KFSWCSVIKAYJLA-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CCCC[N@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423637 1382100020 /nfs/dbraw/zinc/10/00/20/1382100020.db2.gz ULMICBFUUSSTJK-IBGZPJMESA-N 2 2 346.519 3.409 20 0 EGADLP CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423637 1382100024 /nfs/dbraw/zinc/10/00/24/1382100024.db2.gz ULMICBFUUSSTJK-IBGZPJMESA-N 2 2 346.519 3.409 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CCCC1CCC1)n1cc[nH+]c1 ZINC001160535233 1382134727 /nfs/dbraw/zinc/13/47/27/1382134727.db2.gz YSUACNDOLWCTKI-GOSISDBHSA-N 2 2 334.508 3.147 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c2ccccc2C)c[nH+]1 ZINC001160819978 1382208247 /nfs/dbraw/zinc/20/82/47/1382208247.db2.gz AIDSZNNMXJKYKV-KRWDZBQOSA-N 2 2 342.487 3.092 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC([NH3+])(c2cccnc2)CC1 ZINC001161588012 1382447952 /nfs/dbraw/zinc/44/79/52/1382447952.db2.gz RQCZGXUEVRAEAW-UHFFFAOYSA-N 2 2 330.863 3.315 20 0 EGADLP Cn1ccc2cc(CNc3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)ccc21 ZINC001162173617 1382648703 /nfs/dbraw/zinc/64/87/03/1382648703.db2.gz VDWAJZTWRHQNBI-LJQANCHMSA-N 2 2 334.467 3.323 20 0 EGADLP Cn1ccc2cc(CNc3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)ccc21 ZINC001162173617 1382648709 /nfs/dbraw/zinc/64/87/09/1382648709.db2.gz VDWAJZTWRHQNBI-LJQANCHMSA-N 2 2 334.467 3.323 20 0 EGADLP O=C(NCCC[NH2+]CCC1CCCCC1)c1cccc2[nH+]ccn21 ZINC001162428146 1382756193 /nfs/dbraw/zinc/75/61/93/1382756193.db2.gz YKPVEDHHWHOKRD-UHFFFAOYSA-N 2 2 328.460 3.014 20 0 EGADLP Brc1c[nH+]c2ccccc2c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162983467 1382937199 /nfs/dbraw/zinc/93/71/99/1382937199.db2.gz XZFPOSMCWKPMCG-GOEBONIOSA-N 2 2 332.245 3.116 20 0 EGADLP Cc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc(OC(F)F)[nH+]1 ZINC001163062651 1382959106 /nfs/dbraw/zinc/95/91/06/1382959106.db2.gz AUJFGXKTYLEWRY-ZDUSSCGKSA-N 2 2 336.386 3.015 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001165107446 1383228878 /nfs/dbraw/zinc/22/88/78/1383228878.db2.gz HNHRUEMQZBIUJO-IBGZPJMESA-N 2 2 325.456 3.314 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001165107446 1383228882 /nfs/dbraw/zinc/22/88/82/1383228882.db2.gz HNHRUEMQZBIUJO-IBGZPJMESA-N 2 2 325.456 3.314 20 0 EGADLP CCc1cc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc(C)[nH+]1 ZINC001165149585 1383237395 /nfs/dbraw/zinc/23/73/95/1383237395.db2.gz HUVWYLQRMOIGGK-UHFFFAOYSA-N 2 2 336.483 3.375 20 0 EGADLP CCc1cc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)nc(C)[nH+]1 ZINC001165149585 1383237396 /nfs/dbraw/zinc/23/73/96/1383237396.db2.gz HUVWYLQRMOIGGK-UHFFFAOYSA-N 2 2 336.483 3.375 20 0 EGADLP COc1ccc(C)[nH+]c1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304469 1383269655 /nfs/dbraw/zinc/26/96/55/1383269655.db2.gz OWTFQJBBNFBEEX-ZDUSSCGKSA-N 2 2 329.366 3.052 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)cc3c(Cl)ccnc31)CC[NH2+]CC2 ZINC001165353963 1383280891 /nfs/dbraw/zinc/28/08/91/1383280891.db2.gz VZJBFNLCKPKGQO-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1cc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC001165417698 1383291728 /nfs/dbraw/zinc/29/17/28/1383291728.db2.gz GMWQKIWGLVHMEQ-NQIIRXRSSA-N 2 2 334.467 3.246 20 0 EGADLP CSc1cc[nH+]c(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001165668600 1383321616 /nfs/dbraw/zinc/32/16/16/1383321616.db2.gz CCGNCDILUAQEIC-AWEZNQCLSA-N 2 2 335.517 3.320 20 0 EGADLP CC[C@H](C)C[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165749967 1383338947 /nfs/dbraw/zinc/33/89/47/1383338947.db2.gz MQRHUHDUMAUUJG-AWEZNQCLSA-N 2 2 328.460 3.099 20 0 EGADLP Cc1cc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc(C(C)(C)C)[nH+]1 ZINC001167207583 1383567118 /nfs/dbraw/zinc/56/71/18/1383567118.db2.gz GPBUBVGMPKFYPQ-UTKZUKDTSA-N 2 2 336.483 3.060 20 0 EGADLP COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167811174 1383745424 /nfs/dbraw/zinc/74/54/24/1383745424.db2.gz IJTPZVVQXFPATQ-LJQANCHMSA-N 2 2 330.472 3.200 20 0 EGADLP COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001167811174 1383745426 /nfs/dbraw/zinc/74/54/26/1383745426.db2.gz IJTPZVVQXFPATQ-LJQANCHMSA-N 2 2 330.472 3.200 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001167841929 1383756741 /nfs/dbraw/zinc/75/67/41/1383756741.db2.gz USVKMQODGJIBSB-STQMWFEESA-N 2 2 347.429 3.184 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001167841929 1383756744 /nfs/dbraw/zinc/75/67/44/1383756744.db2.gz USVKMQODGJIBSB-STQMWFEESA-N 2 2 347.429 3.184 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009770 1383795944 /nfs/dbraw/zinc/79/59/44/1383795944.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH+](C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009770 1383795948 /nfs/dbraw/zinc/79/59/48/1383795948.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009770 1383795952 /nfs/dbraw/zinc/79/59/52/1383795952.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009770 1383795956 /nfs/dbraw/zinc/79/59/56/1383795956.db2.gz IBRWFXNIONSBMX-KOUHRCEDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168046542 1383804524 /nfs/dbraw/zinc/80/45/24/1383804524.db2.gz NVVMPPJMHQUUPC-LXDWIVHCSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3COC[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168046542 1383804527 /nfs/dbraw/zinc/80/45/27/1383804527.db2.gz NVVMPPJMHQUUPC-LXDWIVHCSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046542 1383804530 /nfs/dbraw/zinc/80/45/30/1383804530.db2.gz NVVMPPJMHQUUPC-LXDWIVHCSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168046542 1383804533 /nfs/dbraw/zinc/80/45/33/1383804533.db2.gz NVVMPPJMHQUUPC-LXDWIVHCSA-N 2 2 328.500 3.396 20 0 EGADLP CCOC(=O)C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168361004 1383883218 /nfs/dbraw/zinc/88/32/18/1383883218.db2.gz YTBNMLNJVKUGHU-IBGZPJMESA-N 2 2 330.472 3.145 20 0 EGADLP CCOc1ccccc1N1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168371042 1383886814 /nfs/dbraw/zinc/88/68/14/1383886814.db2.gz CCNOPDSVLKDBLD-UHFFFAOYSA-N 2 2 343.515 3.082 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609311 1383947971 /nfs/dbraw/zinc/94/79/71/1383947971.db2.gz GHXJGNAUDBHQDB-ZJOUEHCJSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609311 1383947973 /nfs/dbraw/zinc/94/79/73/1383947973.db2.gz GHXJGNAUDBHQDB-ZJOUEHCJSA-N 2 2 344.499 3.379 20 0 EGADLP CC(C)c1cc(Br)cc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168740453 1383986908 /nfs/dbraw/zinc/98/69/08/1383986908.db2.gz KAUXERIORFNKKT-UHFFFAOYSA-N 2 2 339.281 3.167 20 0 EGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001169068867 1384103215 /nfs/dbraw/zinc/10/32/15/1384103215.db2.gz XNXBMELOEIERBM-VQTJNVASSA-N 2 2 330.516 3.487 20 0 EGADLP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001169068867 1384103217 /nfs/dbraw/zinc/10/32/17/1384103217.db2.gz XNXBMELOEIERBM-VQTJNVASSA-N 2 2 330.516 3.487 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001308181378 1384106414 /nfs/dbraw/zinc/10/64/14/1384106414.db2.gz WFTXLWFVVHWQHD-GOSISDBHSA-N 2 2 347.503 3.285 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001308181378 1384106416 /nfs/dbraw/zinc/10/64/16/1384106416.db2.gz WFTXLWFVVHWQHD-GOSISDBHSA-N 2 2 347.503 3.285 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102304 1384107532 /nfs/dbraw/zinc/10/75/32/1384107532.db2.gz ZEGFOUMYSKRXFV-PPRPKMEESA-N 2 2 337.467 3.382 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102304 1384107534 /nfs/dbraw/zinc/10/75/34/1384107534.db2.gz ZEGFOUMYSKRXFV-PPRPKMEESA-N 2 2 337.467 3.382 20 0 EGADLP FC1(F)Oc2ccc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cc2O1 ZINC001308223835 1384110314 /nfs/dbraw/zinc/11/03/14/1384110314.db2.gz JORAPABVGSHACV-UHFFFAOYSA-N 2 2 343.333 3.484 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321854 1384119023 /nfs/dbraw/zinc/11/90/23/1384119023.db2.gz IKPNCEXRZMMRRL-KPFFTGBYSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321854 1384119024 /nfs/dbraw/zinc/11/90/24/1384119024.db2.gz IKPNCEXRZMMRRL-KPFFTGBYSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321854 1384119025 /nfs/dbraw/zinc/11/90/25/1384119025.db2.gz IKPNCEXRZMMRRL-KPFFTGBYSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321854 1384119026 /nfs/dbraw/zinc/11/90/26/1384119026.db2.gz IKPNCEXRZMMRRL-KPFFTGBYSA-N 2 2 327.516 3.112 20 0 EGADLP CC(C)c1ccccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001308413330 1384124743 /nfs/dbraw/zinc/12/47/43/1384124743.db2.gz RHKXDEONFWONLL-OAQYLSRUSA-N 2 2 338.495 3.319 20 0 EGADLP CC(C)c1ccccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001308413330 1384124745 /nfs/dbraw/zinc/12/47/45/1384124745.db2.gz RHKXDEONFWONLL-OAQYLSRUSA-N 2 2 338.495 3.319 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC001169241672 1384126359 /nfs/dbraw/zinc/12/63/59/1384126359.db2.gz YTIOGSRQQFCKNT-UHFFFAOYSA-N 2 2 332.879 3.159 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CCOc3cc(Br)ccc32)CC1 ZINC001169244237 1384126838 /nfs/dbraw/zinc/12/68/38/1384126838.db2.gz JDBZIQCUMHJMMO-OAHLLOKOSA-N 2 2 339.277 3.347 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3C[C@H](c4nc(C)c(C)s4)O[C@@H]3C2)CC1 ZINC001169254417 1384127839 /nfs/dbraw/zinc/12/78/39/1384127839.db2.gz VJRSGZFTQPRGGN-CGTJXYLNSA-N 2 2 349.544 3.396 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@H]3C[C@H](c4nc(C)c(C)s4)O[C@@H]3C2)CC1 ZINC001169254417 1384127840 /nfs/dbraw/zinc/12/78/40/1384127840.db2.gz VJRSGZFTQPRGGN-CGTJXYLNSA-N 2 2 349.544 3.396 20 0 EGADLP CC[NH+]1CCC([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001169264606 1384129325 /nfs/dbraw/zinc/12/93/25/1384129325.db2.gz JWKLYBSFPKRZEN-UHFFFAOYSA-N 2 2 331.287 3.272 20 0 EGADLP CC[NH+]1CCC([N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001169264606 1384129326 /nfs/dbraw/zinc/12/93/26/1384129326.db2.gz JWKLYBSFPKRZEN-UHFFFAOYSA-N 2 2 331.287 3.272 20 0 EGADLP C[N@H+](C1CCC(OC(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001169290511 1384132819 /nfs/dbraw/zinc/13/28/19/1384132819.db2.gz GBQLVLOLIMQOJY-UHFFFAOYSA-N 2 2 330.472 3.181 20 0 EGADLP C[N@@H+](C1CCC(OC(=O)c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC001169290511 1384132820 /nfs/dbraw/zinc/13/28/20/1384132820.db2.gz GBQLVLOLIMQOJY-UHFFFAOYSA-N 2 2 330.472 3.181 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001170428193 1384316723 /nfs/dbraw/zinc/31/67/23/1384316723.db2.gz FUDCKXIVTQLYEU-RBUKOAKNSA-N 2 2 338.451 3.122 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001170428193 1384316726 /nfs/dbraw/zinc/31/67/26/1384316726.db2.gz FUDCKXIVTQLYEU-RBUKOAKNSA-N 2 2 338.451 3.122 20 0 EGADLP COc1c[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1NC1CC1 ZINC001170447265 1384320354 /nfs/dbraw/zinc/32/03/54/1384320354.db2.gz AUHWCZSLDMKJNE-UHFFFAOYSA-N 2 2 333.480 3.123 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170460113 1384325028 /nfs/dbraw/zinc/32/50/28/1384325028.db2.gz BSOZLDLJHUPVPU-VQHPVUNQSA-N 2 2 341.540 3.483 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001170525253 1384335549 /nfs/dbraw/zinc/33/55/49/1384335549.db2.gz RIULSRSBZNMGAF-CRAIPNDOSA-N 2 2 348.462 3.030 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170573713 1384345176 /nfs/dbraw/zinc/34/51/76/1384345176.db2.gz TVRUESIEDDCLIU-VQIMIIECSA-N 2 2 348.462 3.064 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170573713 1384345179 /nfs/dbraw/zinc/34/51/79/1384345179.db2.gz TVRUESIEDDCLIU-VQIMIIECSA-N 2 2 348.462 3.064 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170744824 1384376610 /nfs/dbraw/zinc/37/66/10/1384376610.db2.gz BQMUSYNWVOLARQ-XGBSXSJOSA-N 2 2 330.520 3.318 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170744824 1384376613 /nfs/dbraw/zinc/37/66/13/1384376613.db2.gz BQMUSYNWVOLARQ-XGBSXSJOSA-N 2 2 330.520 3.318 20 0 EGADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)n1 ZINC001170749256 1384377515 /nfs/dbraw/zinc/37/75/15/1384377515.db2.gz DOKIAYDNDADTNH-LDLYASANSA-N 2 2 342.531 3.285 20 0 EGADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)n1 ZINC001170749256 1384377517 /nfs/dbraw/zinc/37/75/17/1384377517.db2.gz DOKIAYDNDADTNH-LDLYASANSA-N 2 2 342.531 3.285 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001171302592 1384489903 /nfs/dbraw/zinc/48/99/03/1384489903.db2.gz WGGRFCYHPNWSHK-CABCVRRESA-N 2 2 334.891 3.280 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001171302592 1384489905 /nfs/dbraw/zinc/48/99/05/1384489905.db2.gz WGGRFCYHPNWSHK-CABCVRRESA-N 2 2 334.891 3.280 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3[C@H](C1)CCC[NH+]3C)CC2 ZINC001171325881 1384495169 /nfs/dbraw/zinc/49/51/69/1384495169.db2.gz GCAGLRVKHJUQTJ-IYOUNJFTSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H]3[C@H](C1)CCC[NH+]3C)CC2 ZINC001171325881 1384495170 /nfs/dbraw/zinc/49/51/70/1384495170.db2.gz GCAGLRVKHJUQTJ-IYOUNJFTSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3[C@H](C1)CCC[N@@H+]3C)CC2 ZINC001171325881 1384495171 /nfs/dbraw/zinc/49/51/71/1384495171.db2.gz GCAGLRVKHJUQTJ-IYOUNJFTSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3[C@H](C1)CCC[N@H+]3C)CC2 ZINC001171325881 1384495172 /nfs/dbraw/zinc/49/51/72/1384495172.db2.gz GCAGLRVKHJUQTJ-IYOUNJFTSA-N 2 2 334.891 3.232 20 0 EGADLP Fc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001171405408 1384513734 /nfs/dbraw/zinc/51/37/34/1384513734.db2.gz UMVBFTWJWSRDLO-QGZVFWFLSA-N 2 2 325.431 3.337 20 0 EGADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507598 1384545265 /nfs/dbraw/zinc/54/52/65/1384545265.db2.gz LIJUEXCSGPNSBX-OAHLLOKOSA-N 2 2 334.385 3.422 20 0 EGADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171507598 1384545266 /nfs/dbraw/zinc/54/52/66/1384545266.db2.gz LIJUEXCSGPNSBX-OAHLLOKOSA-N 2 2 334.385 3.422 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171597411 1384575017 /nfs/dbraw/zinc/57/50/17/1384575017.db2.gz YHVYBYWREIBMGT-WYIDIVSCSA-N 2 2 346.519 3.066 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(OCC3CCC3)ncn2)CC1(C)C ZINC001171627341 1384585237 /nfs/dbraw/zinc/58/52/37/1384585237.db2.gz QFQMLRQBULXCRD-UHFFFAOYSA-N 2 2 346.519 3.397 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCCC[NH2+]CCC[C@H](C)O)c(C)[nH+]1 ZINC001171859555 1384663111 /nfs/dbraw/zinc/66/31/11/1384663111.db2.gz GIPZJPDTRCXAKD-RDJZCZTQSA-N 2 2 349.519 3.046 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867033 1384666084 /nfs/dbraw/zinc/66/60/84/1384666084.db2.gz RUZZVWJQJITJJZ-IBGZPJMESA-N 2 2 331.504 3.003 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867033 1384666085 /nfs/dbraw/zinc/66/60/85/1384666085.db2.gz RUZZVWJQJITJJZ-IBGZPJMESA-N 2 2 331.504 3.003 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987133 1384706744 /nfs/dbraw/zinc/70/67/44/1384706744.db2.gz PFOFVFWQEXUHKG-IBGZPJMESA-N 2 2 327.516 3.067 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987133 1384706745 /nfs/dbraw/zinc/70/67/45/1384706745.db2.gz PFOFVFWQEXUHKG-IBGZPJMESA-N 2 2 327.516 3.067 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061600 1384715369 /nfs/dbraw/zinc/71/53/69/1384715369.db2.gz HTSQQGACRWUFPM-ACDBMABISA-N 3 2 338.499 3.451 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061600 1384715373 /nfs/dbraw/zinc/71/53/73/1384715373.db2.gz HTSQQGACRWUFPM-ACDBMABISA-N 3 2 338.499 3.451 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CCCN3C(=O)OC(C)(C)C)C2 ZINC001172121708 1384734679 /nfs/dbraw/zinc/73/46/79/1384734679.db2.gz SXOHGQRFKTXKTI-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CCCN3C(=O)OC(C)(C)C)C2 ZINC001172121708 1384734681 /nfs/dbraw/zinc/73/46/81/1384734681.db2.gz SXOHGQRFKTXKTI-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC001172162143 1384740428 /nfs/dbraw/zinc/74/04/28/1384740428.db2.gz GTGZQEYYPIJQNM-KRXUUXHPSA-N 2 2 349.478 3.171 20 0 EGADLP C[NH+](C)C[C@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC001172236179 1384753443 /nfs/dbraw/zinc/75/34/43/1384753443.db2.gz HLCVENGFGNXCFD-KCUCDVLQSA-N 2 2 330.516 3.209 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCOC(C)C)CC1 ZINC001172438550 1384791690 /nfs/dbraw/zinc/79/16/90/1384791690.db2.gz SZTZQXVZJQXNFR-KRWDZBQOSA-N 2 2 334.504 3.453 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172599171 1384816572 /nfs/dbraw/zinc/81/65/72/1384816572.db2.gz ADXAPEVCIDNRPP-AQNXPRMDSA-N 2 2 344.499 3.015 20 0 EGADLP Cc1ccc(N([C@@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)[nH+]c1 ZINC001172763176 1384845847 /nfs/dbraw/zinc/84/58/47/1384845847.db2.gz VROTXWDHCWJAIE-INIZCTEOSA-N 2 2 333.476 3.069 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC001174815905 1385154087 /nfs/dbraw/zinc/15/40/87/1385154087.db2.gz RTRJQEKDKHDNBF-UHFFFAOYSA-N 2 2 333.439 3.368 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175628948 1385356024 /nfs/dbraw/zinc/35/60/24/1385356024.db2.gz HVCRAXUJRDMOHI-IAGOWNOFSA-N 2 2 342.487 3.053 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175628948 1385356029 /nfs/dbraw/zinc/35/60/29/1385356029.db2.gz HVCRAXUJRDMOHI-IAGOWNOFSA-N 2 2 342.487 3.053 20 0 EGADLP CCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001175703408 1385378125 /nfs/dbraw/zinc/37/81/25/1385378125.db2.gz AJLPIGUHQOVHQW-KRWDZBQOSA-N 2 2 344.503 3.250 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001317674530 1385380486 /nfs/dbraw/zinc/38/04/86/1385380486.db2.gz FASGSUBWTRJUBP-KRWDZBQOSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175880852 1385428363 /nfs/dbraw/zinc/42/83/63/1385428363.db2.gz FRYDMLHATWNATC-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176175844 1385503747 /nfs/dbraw/zinc/50/37/47/1385503747.db2.gz QWJMYYADUQLLGA-KRWDZBQOSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001318215303 1385629433 /nfs/dbraw/zinc/62/94/33/1385629433.db2.gz DPJBDILXHLVNNY-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001318215303 1385629435 /nfs/dbraw/zinc/62/94/35/1385629435.db2.gz DPJBDILXHLVNNY-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001176829111 1385714988 /nfs/dbraw/zinc/71/49/88/1385714988.db2.gz HYXIHMGEGKWZEA-OAHLLOKOSA-N 2 2 348.878 3.001 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001176829109 1385715253 /nfs/dbraw/zinc/71/52/53/1385715253.db2.gz HYXIHMGEGKWZEA-HNNXBMFYSA-N 2 2 348.878 3.001 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829990 1385715879 /nfs/dbraw/zinc/71/58/79/1385715879.db2.gz XGBJSGRUVYTUQE-ROUUACIJSA-N 2 2 342.487 3.217 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176829961 1385716293 /nfs/dbraw/zinc/71/62/93/1385716293.db2.gz WJBZEYUPTDHAMX-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC001318496626 1385726211 /nfs/dbraw/zinc/72/62/11/1385726211.db2.gz BYPMPPLZVNMNEW-UHFFFAOYSA-N 2 2 332.407 3.246 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001318631494 1385805551 /nfs/dbraw/zinc/80/55/51/1385805551.db2.gz HFOGLPSPZMIGPE-CQSZACIVSA-N 2 2 333.505 3.064 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC001177278541 1385894572 /nfs/dbraw/zinc/89/45/72/1385894572.db2.gz ZCKDILBWSXVWBI-SJORKVTESA-N 2 2 337.552 3.266 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC001177278541 1385894580 /nfs/dbraw/zinc/89/45/80/1385894580.db2.gz ZCKDILBWSXVWBI-SJORKVTESA-N 2 2 337.552 3.266 20 0 EGADLP CC(C)C[NH2+]Cc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001318997027 1385916338 /nfs/dbraw/zinc/91/63/38/1385916338.db2.gz YLTNMHJCFUESCD-UHFFFAOYSA-N 2 2 336.439 3.239 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001177372218 1385933248 /nfs/dbraw/zinc/93/32/48/1385933248.db2.gz WEBLSNWRMWIVCL-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC001177411328 1385947330 /nfs/dbraw/zinc/94/73/30/1385947330.db2.gz HPQIQWLTZMXPLY-INIZCTEOSA-N 2 2 342.487 3.038 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177469295 1385968816 /nfs/dbraw/zinc/96/88/16/1385968816.db2.gz ZPGKCDPGGLVTQN-MRXNPFEDSA-N 2 2 348.535 3.305 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)[nH+]1 ZINC001319389883 1386099611 /nfs/dbraw/zinc/09/96/11/1386099611.db2.gz PZKKPFGNLXDBPD-MRXNPFEDSA-N 2 2 335.455 3.353 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)[nH+]1 ZINC001319389883 1386099615 /nfs/dbraw/zinc/09/96/15/1386099615.db2.gz PZKKPFGNLXDBPD-MRXNPFEDSA-N 2 2 335.455 3.353 20 0 EGADLP CC[C@@H]([NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC001698634243 1406278309 /nfs/dbraw/zinc/27/83/09/1406278309.db2.gz RJGWIQISKQPZFF-GOSISDBHSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)CC(C)C ZINC001319636372 1386224646 /nfs/dbraw/zinc/22/46/46/1386224646.db2.gz QZIOSVIHWSAJSU-MAUKXSAKSA-N 2 2 342.487 3.142 20 0 EGADLP O=C(NCCCCCC[NH2+]CCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001178823435 1386318303 /nfs/dbraw/zinc/31/83/03/1386318303.db2.gz OBKSSFKQFMVCIU-UHFFFAOYSA-N 2 2 328.460 3.243 20 0 EGADLP CC[C@@H](C)n1nc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1C ZINC001319892013 1386369118 /nfs/dbraw/zinc/36/91/18/1386369118.db2.gz MKOXUZUEBMLRDC-GFCCVEGCSA-N 2 2 338.415 3.304 20 0 EGADLP Cc1ccccc1C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176241 1386418172 /nfs/dbraw/zinc/41/81/72/1386418172.db2.gz NWEDAPAJKMELEO-UHFFFAOYSA-N 2 2 342.487 3.048 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179557181 1386513787 /nfs/dbraw/zinc/51/37/87/1386513787.db2.gz CDOPKJXVMDWPPU-HOTGVXAUSA-N 2 2 334.508 3.142 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181646996 1387030662 /nfs/dbraw/zinc/03/06/62/1387030662.db2.gz RVMPCUACCXWAIK-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181646996 1387030665 /nfs/dbraw/zinc/03/06/65/1387030665.db2.gz RVMPCUACCXWAIK-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP CCCCC[N@H+](C)CCC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001181866474 1387066169 /nfs/dbraw/zinc/06/61/69/1387066169.db2.gz YAMNQNRFARNMHT-UHFFFAOYSA-N 2 2 342.487 3.343 20 0 EGADLP CCCCC[N@@H+](C)CCC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001181866474 1387066173 /nfs/dbraw/zinc/06/61/73/1387066173.db2.gz YAMNQNRFARNMHT-UHFFFAOYSA-N 2 2 342.487 3.343 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181884581 1387070850 /nfs/dbraw/zinc/07/08/50/1387070850.db2.gz GPPOCOQBJUCRNS-RZQQEMMASA-N 2 2 348.535 3.047 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168451 1387086168 /nfs/dbraw/zinc/08/61/68/1387086168.db2.gz JNEHWZQDQNJSJV-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168451 1387086173 /nfs/dbraw/zinc/08/61/73/1387086173.db2.gz JNEHWZQDQNJSJV-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168451 1387086176 /nfs/dbraw/zinc/08/61/76/1387086176.db2.gz JNEHWZQDQNJSJV-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168451 1387086178 /nfs/dbraw/zinc/08/61/78/1387086178.db2.gz JNEHWZQDQNJSJV-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309112 1387144323 /nfs/dbraw/zinc/14/43/23/1387144323.db2.gz NAFVUIZTHMWDBO-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309112 1387144325 /nfs/dbraw/zinc/14/43/25/1387144325.db2.gz NAFVUIZTHMWDBO-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCCC1 ZINC001329341660 1389068302 /nfs/dbraw/zinc/06/83/02/1389068302.db2.gz DDYUJLZLBVUOTH-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCCC1 ZINC001329341660 1389068304 /nfs/dbraw/zinc/06/83/04/1389068304.db2.gz DDYUJLZLBVUOTH-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)COc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001338307535 1389629090 /nfs/dbraw/zinc/62/90/90/1389629090.db2.gz FWGQVTJPHFUPBT-UHFFFAOYSA-N 2 2 346.515 3.454 20 0 EGADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC001331434847 1389746911 /nfs/dbraw/zinc/74/69/11/1389746911.db2.gz NPOGFMLOZHWYAZ-KRWDZBQOSA-N 2 2 331.847 3.349 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCCC1 ZINC001331502232 1389772163 /nfs/dbraw/zinc/77/21/63/1389772163.db2.gz DNRWXVAEKJWRIT-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)COc1ccccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001333733071 1390386994 /nfs/dbraw/zinc/38/69/94/1390386994.db2.gz AVYZORMLMCWTCG-UHFFFAOYSA-N 2 2 346.515 3.454 20 0 EGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC001342847101 1390662060 /nfs/dbraw/zinc/66/20/60/1390662060.db2.gz IIZGNEPBSDWOIU-KRWDZBQOSA-N 2 2 326.843 3.194 20 0 EGADLP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC001342847101 1390662063 /nfs/dbraw/zinc/66/20/63/1390662063.db2.gz IIZGNEPBSDWOIU-KRWDZBQOSA-N 2 2 326.843 3.194 20 0 EGADLP CCc1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)[nH+]c1 ZINC001348009815 1391159359 /nfs/dbraw/zinc/15/93/59/1391159359.db2.gz SDNBYFGGCYYUOK-UHFFFAOYSA-N 2 2 325.456 3.213 20 0 EGADLP CCc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc(CC)[nH+]1 ZINC001351949563 1391722219 /nfs/dbraw/zinc/72/22/19/1391722219.db2.gz FVTIVHNAQBKTGO-UHFFFAOYSA-N 2 2 325.460 3.073 20 0 EGADLP Cc1ccc(C[NH+]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c(C)c1 ZINC001480370118 1392711886 /nfs/dbraw/zinc/71/18/86/1392711886.db2.gz URDNNNMAMKNZNV-UHFFFAOYSA-N 2 2 348.450 3.138 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482468496 1395023625 /nfs/dbraw/zinc/02/36/25/1395023625.db2.gz BCRUONZHAMMVAJ-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482468496 1395023632 /nfs/dbraw/zinc/02/36/32/1395023632.db2.gz BCRUONZHAMMVAJ-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484143711 1395279440 /nfs/dbraw/zinc/27/94/40/1395279440.db2.gz OTPQHNNWUPABQC-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484143711 1395279443 /nfs/dbraw/zinc/27/94/43/1395279443.db2.gz OTPQHNNWUPABQC-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761220 1395514052 /nfs/dbraw/zinc/51/40/52/1395514052.db2.gz USOZXDBLHAPHHT-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761220 1395514059 /nfs/dbraw/zinc/51/40/59/1395514059.db2.gz USOZXDBLHAPHHT-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001502714590 1396219215 /nfs/dbraw/zinc/21/92/15/1396219215.db2.gz BANBFCNSBJSKOV-KSSFIOAISA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001492304058 1396318492 /nfs/dbraw/zinc/31/84/92/1396318492.db2.gz OGOVSTPGHBJCMG-IBGZPJMESA-N 2 2 336.439 3.376 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001492304058 1396318493 /nfs/dbraw/zinc/31/84/93/1396318493.db2.gz OGOVSTPGHBJCMG-IBGZPJMESA-N 2 2 336.439 3.376 20 0 EGADLP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001499263890 1397071327 /nfs/dbraw/zinc/07/13/27/1397071327.db2.gz PCHSPXSWSJFTMZ-UHFFFAOYSA-N 2 2 348.450 3.232 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001690980263 1404890780 /nfs/dbraw/zinc/89/07/80/1404890780.db2.gz BOESVJZJKKZXNF-MAUKXSAKSA-N 2 2 346.450 3.173 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001690980263 1404890788 /nfs/dbraw/zinc/89/07/88/1404890788.db2.gz BOESVJZJKKZXNF-MAUKXSAKSA-N 2 2 346.450 3.173 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001732072446 1428321928 /nfs/dbraw/zinc/32/19/28/1428321928.db2.gz DLVBJCBWFVATAH-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001732072446 1428321930 /nfs/dbraw/zinc/32/19/30/1428321930.db2.gz DLVBJCBWFVATAH-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001700994820 1414641820 /nfs/dbraw/zinc/64/18/20/1414641820.db2.gz KSWAJGCLMLSAAY-INIZCTEOSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)c1cccc2[nH+]ccn21 ZINC001733005250 1429126232 /nfs/dbraw/zinc/12/62/32/1429126232.db2.gz LBBKQEKLMZBNLV-YJBOKZPZSA-N 2 2 348.450 3.120 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C)c(C)[nH+]1 ZINC001733006703 1429127376 /nfs/dbraw/zinc/12/73/76/1429127376.db2.gz MBCIPRUWUPMSTJ-INIZCTEOSA-N 2 2 325.456 3.223 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084348 1417630071 /nfs/dbraw/zinc/63/00/71/1417630071.db2.gz BFOMEHJHYQRBKF-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084348 1417630074 /nfs/dbraw/zinc/63/00/74/1417630074.db2.gz BFOMEHJHYQRBKF-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCCC1 ZINC001714089706 1418883648 /nfs/dbraw/zinc/88/36/48/1418883648.db2.gz KWLZTXCEAOEQQV-QGZVFWFLSA-N 2 2 342.487 3.403 20 0 EGADLP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001714187234 1418994294 /nfs/dbraw/zinc/99/42/94/1418994294.db2.gz QTAYFJUPXSVCLJ-JXFKEZNVSA-N 2 2 348.535 3.054 20 0 EGADLP C[C@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548880 1419275386 /nfs/dbraw/zinc/27/53/86/1419275386.db2.gz UJQGLAQQQSMISV-HOTGVXAUSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@H]1CCC[C@@H](CC[N@@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548880 1419275388 /nfs/dbraw/zinc/27/53/88/1419275388.db2.gz UJQGLAQQQSMISV-HOTGVXAUSA-N 2 2 342.487 3.441 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCCc2ccccc2)c(C)[nH+]1 ZINC001714556673 1419283803 /nfs/dbraw/zinc/28/38/03/1419283803.db2.gz ZWZYTTKFNGTLSN-UHFFFAOYSA-N 2 2 339.483 3.301 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCCc2ccccc2)c(C)[nH+]1 ZINC001714556673 1419283805 /nfs/dbraw/zinc/28/38/05/1419283805.db2.gz ZWZYTTKFNGTLSN-UHFFFAOYSA-N 2 2 339.483 3.301 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609352 1419368225 /nfs/dbraw/zinc/36/82/25/1419368225.db2.gz GBIOPMKZOAPEFA-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609352 1419368226 /nfs/dbraw/zinc/36/82/26/1419368226.db2.gz GBIOPMKZOAPEFA-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609352 1419368230 /nfs/dbraw/zinc/36/82/30/1419368230.db2.gz GBIOPMKZOAPEFA-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609352 1419368233 /nfs/dbraw/zinc/36/82/33/1419368233.db2.gz GBIOPMKZOAPEFA-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714695354 1419474903 /nfs/dbraw/zinc/47/49/03/1419474903.db2.gz QSIJNXSSOYWHNC-CVEARBPZSA-N 2 2 330.476 3.067 20 0 EGADLP C[C@H]([NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001714770133 1419500367 /nfs/dbraw/zinc/50/03/67/1419500367.db2.gz BYZSVEUHLKIVTB-HNNXBMFYSA-N 2 2 342.487 3.059 20 0 EGADLP C[C@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1)c1ccccc1 ZINC001714841054 1419553276 /nfs/dbraw/zinc/55/32/76/1419553276.db2.gz UDBKLBBJKMRSJI-OXJNMPFZSA-N 2 2 348.450 3.161 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(F)c2)c(C)[nH+]1 ZINC001715983196 1420441929 /nfs/dbraw/zinc/44/19/29/1420441929.db2.gz BTPIAPDZBDKSGS-AWEZNQCLSA-N 2 2 329.419 3.054 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125039 1421127199 /nfs/dbraw/zinc/12/71/99/1421127199.db2.gz XITLFFBUVFDWGY-SZMVWBNQSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717125039 1421127200 /nfs/dbraw/zinc/12/72/00/1421127200.db2.gz XITLFFBUVFDWGY-SZMVWBNQSA-N 2 2 346.519 3.043 20 0 EGADLP CCCC[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001717702576 1421575747 /nfs/dbraw/zinc/57/57/47/1421575747.db2.gz UMAGYXVZOHBPIY-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001717702576 1421575749 /nfs/dbraw/zinc/57/57/49/1421575749.db2.gz UMAGYXVZOHBPIY-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162581 1424699926 /nfs/dbraw/zinc/69/99/26/1424699926.db2.gz PZCMQKUEUSGYJA-QRWLVFNGSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162581 1424699928 /nfs/dbraw/zinc/69/99/28/1424699928.db2.gz PZCMQKUEUSGYJA-QRWLVFNGSA-N 2 2 342.487 3.439 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001731827111 1428032850 /nfs/dbraw/zinc/03/28/50/1428032850.db2.gz KHXIONGJRRZGNE-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001731827111 1428032853 /nfs/dbraw/zinc/03/28/53/1428032853.db2.gz KHXIONGJRRZGNE-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001734043254 1437831252 /nfs/dbraw/zinc/83/12/52/1437831252.db2.gz CFVAJCZEGLPJGP-GFCCVEGCSA-N 2 2 342.468 3.183 20 0 EGADLP Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001734043254 1437831255 /nfs/dbraw/zinc/83/12/55/1437831255.db2.gz CFVAJCZEGLPJGP-GFCCVEGCSA-N 2 2 342.468 3.183 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@H]([NH2+]C(C)C)C(C)C)ccn12 ZINC001734080818 1437868088 /nfs/dbraw/zinc/86/80/88/1437868088.db2.gz QQDLXHBGQPMPHR-KRWDZBQOSA-N 2 2 330.476 3.127 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](CC[C@@H](C)F)C2CC2)c(C)[nH+]1 ZINC001752270151 1440163241 /nfs/dbraw/zinc/16/32/41/1440163241.db2.gz XTIFHJIANCACJG-CQSZACIVSA-N 2 2 335.467 3.339 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](CC[C@@H](C)F)C2CC2)c(C)[nH+]1 ZINC001752270151 1440163243 /nfs/dbraw/zinc/16/32/43/1440163243.db2.gz XTIFHJIANCACJG-CQSZACIVSA-N 2 2 335.467 3.339 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001752473107 1440184753 /nfs/dbraw/zinc/18/47/53/1440184753.db2.gz IYIPNFVSBZJLRU-DOTOQJQBSA-N 2 2 342.487 3.115 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129099 1440315946 /nfs/dbraw/zinc/31/59/46/1440315946.db2.gz JUKIUQPMTOGGNO-SJORKVTESA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001753129099 1440315947 /nfs/dbraw/zinc/31/59/47/1440315947.db2.gz JUKIUQPMTOGGNO-SJORKVTESA-N 2 2 342.487 3.068 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H]2CC[N@@H+](CCCC(C)C)C2)c[nH+]1 ZINC001753329524 1440368466 /nfs/dbraw/zinc/36/84/66/1440368466.db2.gz AETMPWLTXXLFPK-GOSISDBHSA-N 2 2 348.535 3.191 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H]2CC[N@H+](CCCC(C)C)C2)c[nH+]1 ZINC001753329524 1440368467 /nfs/dbraw/zinc/36/84/67/1440368467.db2.gz AETMPWLTXXLFPK-GOSISDBHSA-N 2 2 348.535 3.191 20 0 EGADLP C[C@H]1CCCC[C@@]1(C[NH2+]CCCC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001753536814 1440432907 /nfs/dbraw/zinc/43/29/07/1440432907.db2.gz ZDFPMKCZVDHIIG-JXFKEZNVSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]CCCC2CCCC2)CC1 ZINC001753575868 1440439259 /nfs/dbraw/zinc/43/92/59/1440439259.db2.gz KJLBUMSSMXMBLF-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001753739322 1440478576 /nfs/dbraw/zinc/47/85/76/1440478576.db2.gz BDSKMXLYYNIPON-AEFFLSMTSA-N 2 2 342.487 3.142 20 0 EGADLP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753797271 1440490116 /nfs/dbraw/zinc/49/01/16/1440490116.db2.gz SCQOHEOHKVLEFZ-PXHZSSHCSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001753807576 1440492049 /nfs/dbraw/zinc/49/20/49/1440492049.db2.gz OLFTVUIFTWSUPL-IRXDYDNUSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001754176510 1440547707 /nfs/dbraw/zinc/54/77/07/1440547707.db2.gz GTFPRBHCLNIANN-VMLVWOMUSA-N 2 2 340.471 3.166 20 0 EGADLP CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754272483 1440561627 /nfs/dbraw/zinc/56/16/27/1440561627.db2.gz JNXJCXVFXSOOHZ-AWEZNQCLSA-N 2 2 336.439 3.033 20 0 EGADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001754471452 1440605662 /nfs/dbraw/zinc/60/56/62/1440605662.db2.gz YYRADLJMVJZHRE-OALUTQOASA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754543353 1440626640 /nfs/dbraw/zinc/62/66/40/1440626640.db2.gz BRXJJMCGFYHXJM-XCEWANHASA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754543353 1440626641 /nfs/dbraw/zinc/62/66/41/1440626641.db2.gz BRXJJMCGFYHXJM-XCEWANHASA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754543353 1440626642 /nfs/dbraw/zinc/62/66/42/1440626642.db2.gz BRXJJMCGFYHXJM-XCEWANHASA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754543353 1440626643 /nfs/dbraw/zinc/62/66/43/1440626643.db2.gz BRXJJMCGFYHXJM-XCEWANHASA-N 2 2 344.503 3.010 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C1C[NH+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001754578954 1440638300 /nfs/dbraw/zinc/63/83/00/1440638300.db2.gz YQLIKITYLKTKIV-IBGZPJMESA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001754845605 1440699142 /nfs/dbraw/zinc/69/91/42/1440699142.db2.gz PJLWNBMVKYHBOV-OKZBNKHCSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001754845605 1440699143 /nfs/dbraw/zinc/69/91/43/1440699143.db2.gz PJLWNBMVKYHBOV-OKZBNKHCSA-N 2 2 346.519 3.051 20 0 EGADLP CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754976206 1440720159 /nfs/dbraw/zinc/72/01/59/1440720159.db2.gz UMRSPHNUBNJCRU-WYIDIVSCSA-N 2 2 332.492 3.161 20 0 EGADLP CCC1([NH2+]CC2CCCCCC2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001755072208 1440747025 /nfs/dbraw/zinc/74/70/25/1440747025.db2.gz RNTQKTZXSNKMGC-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCCC1 ZINC001755371360 1440837215 /nfs/dbraw/zinc/83/72/15/1440837215.db2.gz QBJPDLBIZWNLSQ-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCC1CCCCC1 ZINC001755371360 1440837216 /nfs/dbraw/zinc/83/72/16/1440837216.db2.gz QBJPDLBIZWNLSQ-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530604 1440867111 /nfs/dbraw/zinc/86/71/11/1440867111.db2.gz JOGJUBQGTJMLMH-PKOBYXMFSA-N 2 2 348.535 3.439 20 0 EGADLP CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530604 1440867112 /nfs/dbraw/zinc/86/71/12/1440867112.db2.gz JOGJUBQGTJMLMH-PKOBYXMFSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001755757459 1440914355 /nfs/dbraw/zinc/91/43/55/1440914355.db2.gz NMTACIWSOPGHBO-MSOLQXFVSA-N 2 2 346.519 3.263 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1NC1CC1 ZINC001165047133 721964570 /nfs/dbraw/zinc/96/45/70/721964570.db2.gz RVRVBHCXAIUONM-QGZVFWFLSA-N 2 2 329.492 3.204 20 0 EGADLP CN(c1cccc(N2CC[NH+](C)CC2)[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC001165049291 721986496 /nfs/dbraw/zinc/98/64/96/721986496.db2.gz VSXJUTLFONLHDE-UHFFFAOYSA-N 2 2 340.515 3.238 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367586 282211450 /nfs/dbraw/zinc/21/14/50/282211450.db2.gz DMLABODLWBUCCH-FVQBIDKESA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367586 282211453 /nfs/dbraw/zinc/21/14/53/282211453.db2.gz DMLABODLWBUCCH-FVQBIDKESA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000356562452 282231905 /nfs/dbraw/zinc/23/19/05/282231905.db2.gz KSNUZCWLMUFZSN-MSOLQXFVSA-N 2 2 349.906 3.030 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456595 282249545 /nfs/dbraw/zinc/24/95/45/282249545.db2.gz WZPDVJCXOZPKGJ-RBUKOAKNSA-N 2 2 327.472 3.137 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456595 282249546 /nfs/dbraw/zinc/24/95/46/282249546.db2.gz WZPDVJCXOZPKGJ-RBUKOAKNSA-N 2 2 327.472 3.137 20 0 EGADLP C[NH+]1CCC(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000173784859 530048183 /nfs/dbraw/zinc/04/81/83/530048183.db2.gz FGXNEMCHQLWEBO-UHFFFAOYSA-N 2 2 326.444 3.043 20 0 EGADLP O=C(CC1CC[NH2+]CC1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178658243 232347702 /nfs/dbraw/zinc/34/77/02/232347702.db2.gz MQNAMVSNOLXDSE-UHFFFAOYSA-N 2 2 326.444 3.091 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2cccnc2)[NH+](C)C)cc1 ZINC000067505898 215155771 /nfs/dbraw/zinc/15/57/71/215155771.db2.gz OHKYPLNUOCFZAL-HXUWFJFHSA-N 2 2 349.482 3.183 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC(F)(F)[C@@H](C)C3)sc2C1 ZINC000356268166 535251552 /nfs/dbraw/zinc/25/15/52/535251552.db2.gz XVYSXZIHMXAUMZ-LBPRGKRZSA-N 2 2 329.460 3.387 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000187106289 236119746 /nfs/dbraw/zinc/11/97/46/236119746.db2.gz BIMMMEDEARAAMC-UHFFFAOYSA-N 2 2 337.467 3.474 20 0 EGADLP OCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188040735 236399511 /nfs/dbraw/zinc/39/95/11/236399511.db2.gz ZNMRYZPLOSPFRK-HNAYVOBHSA-N 2 2 336.907 3.445 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2n1 ZINC000178482880 299294242 /nfs/dbraw/zinc/29/42/42/299294242.db2.gz WQANDXYRFZDIKI-ZACQAIPSSA-N 2 2 327.472 3.385 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000191295228 239025122 /nfs/dbraw/zinc/02/51/22/239025122.db2.gz QARMRAHMPNWBON-WMZOPIPTSA-N 2 2 341.503 3.176 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@H+]1Cc1ccccc1 ZINC000191295228 239025126 /nfs/dbraw/zinc/02/51/26/239025126.db2.gz QARMRAHMPNWBON-WMZOPIPTSA-N 2 2 341.503 3.176 20 0 EGADLP c1ccc(NCCCC[NH2+]CCCc2ccc3c(c2)CCO3)[nH+]c1 ZINC000193290095 240092762 /nfs/dbraw/zinc/09/27/62/240092762.db2.gz WZYAKXPQQHKXEH-UHFFFAOYSA-N 2 2 325.456 3.431 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000132945193 223375106 /nfs/dbraw/zinc/37/51/06/223375106.db2.gz JRDOLOWPNMZPTJ-SJORKVTESA-N 2 2 332.492 3.088 20 0 EGADLP CCS[C@H](C)c1noc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000245616024 243138680 /nfs/dbraw/zinc/13/86/80/243138680.db2.gz MQFSWCPYUWMQLN-MJBXVCDLSA-N 2 2 335.477 3.163 20 0 EGADLP CCS[C@H](C)c1noc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000245616024 243138686 /nfs/dbraw/zinc/13/86/86/243138686.db2.gz MQFSWCPYUWMQLN-MJBXVCDLSA-N 2 2 335.477 3.163 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000247010878 243354579 /nfs/dbraw/zinc/35/45/79/243354579.db2.gz MEMZGDRSXYLRJE-MBOZVWFJSA-N 3 2 326.488 3.080 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000247010878 243354586 /nfs/dbraw/zinc/35/45/86/243354586.db2.gz MEMZGDRSXYLRJE-MBOZVWFJSA-N 3 2 326.488 3.080 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000111243542 220122877 /nfs/dbraw/zinc/12/28/77/220122877.db2.gz QELWULXENTXANC-INIZCTEOSA-N 2 2 326.444 3.164 20 0 EGADLP CCc1nnc([C@@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000111234039 220120093 /nfs/dbraw/zinc/12/00/93/220120093.db2.gz LWZPGHDKAXXWLS-GFCCVEGCSA-N 2 2 325.416 3.449 20 0 EGADLP Cc1cc(C)n(CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000265164233 247261815 /nfs/dbraw/zinc/26/18/15/247261815.db2.gz SGUXZWXDYIVSGE-UHFFFAOYSA-N 2 2 326.488 3.096 20 0 EGADLP Cc1cc(C)n(CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000265164233 247261818 /nfs/dbraw/zinc/26/18/18/247261818.db2.gz SGUXZWXDYIVSGE-UHFFFAOYSA-N 2 2 326.488 3.096 20 0 EGADLP CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335673 169012590 /nfs/dbraw/zinc/01/25/90/169012590.db2.gz HRXLUOOTEBGEAU-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335673 169012593 /nfs/dbraw/zinc/01/25/93/169012593.db2.gz HRXLUOOTEBGEAU-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335673 169012594 /nfs/dbraw/zinc/01/25/94/169012594.db2.gz HRXLUOOTEBGEAU-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377335673 169012597 /nfs/dbraw/zinc/01/25/97/169012597.db2.gz HRXLUOOTEBGEAU-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000092066649 218114470 /nfs/dbraw/zinc/11/44/70/218114470.db2.gz SPPIPIUTQJGGHN-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC ZINC000092066649 218114471 /nfs/dbraw/zinc/11/44/71/218114471.db2.gz SPPIPIUTQJGGHN-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1OC ZINC000092066649 218114473 /nfs/dbraw/zinc/11/44/73/218114473.db2.gz SPPIPIUTQJGGHN-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1OC ZINC000092066649 218114474 /nfs/dbraw/zinc/11/44/74/218114474.db2.gz SPPIPIUTQJGGHN-CRAIPNDOSA-N 2 2 330.472 3.153 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000092165719 218125071 /nfs/dbraw/zinc/12/50/71/218125071.db2.gz GYCQSNFGPQQFEZ-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000092165719 218125074 /nfs/dbraw/zinc/12/50/74/218125074.db2.gz GYCQSNFGPQQFEZ-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000092665612 218157825 /nfs/dbraw/zinc/15/78/25/218157825.db2.gz BKHOXHGRRIEMBZ-DUFJLWIISA-N 2 2 345.506 3.329 20 0 EGADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nccs1 ZINC000093405393 218223556 /nfs/dbraw/zinc/22/35/56/218223556.db2.gz WCKVKYUVOACNNI-ZIAGYGMSSA-N 2 2 348.491 3.446 20 0 EGADLP CC[NH+](CC)CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112211742 220262623 /nfs/dbraw/zinc/26/26/23/220262623.db2.gz YGGDOCLIPILCGG-UHFFFAOYSA-N 2 2 328.416 3.337 20 0 EGADLP COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267400930 251023375 /nfs/dbraw/zinc/02/33/75/251023375.db2.gz QWPNZLNIVMRNBL-QGZVFWFLSA-N 2 2 334.423 3.265 20 0 EGADLP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267400930 251023379 /nfs/dbraw/zinc/02/33/79/251023379.db2.gz QWPNZLNIVMRNBL-QGZVFWFLSA-N 2 2 334.423 3.265 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000268777888 252228061 /nfs/dbraw/zinc/22/80/61/252228061.db2.gz AXRVUQZTLOOAAU-UHFFFAOYSA-N 3 2 332.879 3.099 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC(F)F ZINC000268811157 252262753 /nfs/dbraw/zinc/26/27/53/252262753.db2.gz KUZDQEAXRXGCEM-VXGBXAGGSA-N 2 2 325.359 3.232 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268811113 252263356 /nfs/dbraw/zinc/26/33/56/252263356.db2.gz KRJPLUKKJQGCQV-ZUZCIYMTSA-N 2 2 338.224 3.450 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830097 252278167 /nfs/dbraw/zinc/27/81/67/252278167.db2.gz KEJDPZMSYHFCGI-GPMSIDNRSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830097 252278171 /nfs/dbraw/zinc/27/81/71/252278171.db2.gz KEJDPZMSYHFCGI-GPMSIDNRSA-N 2 2 338.499 3.179 20 0 EGADLP c1ccc2c(c1)CCSC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268863380 252311844 /nfs/dbraw/zinc/31/18/44/252311844.db2.gz IIURJUYNWFDZCO-IBGZPJMESA-N 2 2 346.540 3.252 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849924 252298461 /nfs/dbraw/zinc/29/84/61/252298461.db2.gz WFRICVXYQMDORV-WBVHZDCISA-N 2 2 339.487 3.019 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849924 252298466 /nfs/dbraw/zinc/29/84/66/252298466.db2.gz WFRICVXYQMDORV-WBVHZDCISA-N 2 2 339.487 3.019 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cnn1C ZINC000268855834 252303294 /nfs/dbraw/zinc/30/32/94/252303294.db2.gz XLXCOXQFGHSOBH-HNNXBMFYSA-N 2 2 344.478 3.225 20 0 EGADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000118868129 221198460 /nfs/dbraw/zinc/19/84/60/221198460.db2.gz JCMCPMHAZGLSEE-OAHLLOKOSA-N 2 2 347.503 3.069 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179478980 533642423 /nfs/dbraw/zinc/64/24/23/533642423.db2.gz XBIFYUDECXIWTL-WFASDCNBSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179478980 533642428 /nfs/dbraw/zinc/64/24/28/533642428.db2.gz XBIFYUDECXIWTL-WFASDCNBSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237535059 141006614 /nfs/dbraw/zinc/00/66/14/141006614.db2.gz VIHIBBUZHJPDHK-TZIWHRDSSA-N 2 2 329.532 3.363 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(F)(F)F ZINC000246848731 141038416 /nfs/dbraw/zinc/03/84/16/141038416.db2.gz CNKUJGSBVPRMRI-TZMCWYRMSA-N 2 2 333.423 3.135 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(F)(F)F ZINC000246848731 141038417 /nfs/dbraw/zinc/03/84/17/141038417.db2.gz CNKUJGSBVPRMRI-TZMCWYRMSA-N 2 2 333.423 3.135 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246936520 141045190 /nfs/dbraw/zinc/04/51/90/141045190.db2.gz HJQNEDNGQGISHA-LZJOCLMNSA-N 2 2 339.483 3.218 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246936520 141045191 /nfs/dbraw/zinc/04/51/91/141045191.db2.gz HJQNEDNGQGISHA-LZJOCLMNSA-N 2 2 339.483 3.218 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000341179852 141133040 /nfs/dbraw/zinc/13/30/40/141133040.db2.gz YJQOMTVKOWWIGD-UHFFFAOYSA-N 2 2 341.286 3.415 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCN([C@@H](C)c3ccccc3)C1)CCC2 ZINC000344511995 141167482 /nfs/dbraw/zinc/16/74/82/141167482.db2.gz JRZDUPIRFMTIKQ-YSIASYRMSA-N 2 2 338.499 3.494 20 0 EGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000346271580 141189398 /nfs/dbraw/zinc/18/93/98/141189398.db2.gz FXNSWDJEUCHWLF-HXUWFJFHSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000346271580 141189399 /nfs/dbraw/zinc/18/93/99/141189399.db2.gz FXNSWDJEUCHWLF-HXUWFJFHSA-N 2 2 326.488 3.260 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346284936 141191828 /nfs/dbraw/zinc/19/18/28/141191828.db2.gz ZIYNWDADNNARQG-LJQANCHMSA-N 2 2 348.441 3.239 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCC(C)C ZINC000352930493 141271109 /nfs/dbraw/zinc/27/11/09/141271109.db2.gz LDFNOQMUKPEHIQ-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCC(C)C ZINC000352930493 141271111 /nfs/dbraw/zinc/27/11/11/141271111.db2.gz LDFNOQMUKPEHIQ-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OCC(C)C ZINC000352930493 141271113 /nfs/dbraw/zinc/27/11/13/141271113.db2.gz LDFNOQMUKPEHIQ-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OCC(C)C ZINC000352930493 141271115 /nfs/dbraw/zinc/27/11/15/141271115.db2.gz LDFNOQMUKPEHIQ-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000354625460 141316856 /nfs/dbraw/zinc/31/68/56/141316856.db2.gz FZBIQMUCWOQUOW-KRWDZBQOSA-N 2 2 346.496 3.083 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636391 141393342 /nfs/dbraw/zinc/39/33/42/141393342.db2.gz QFXZZTTZHVEXPZ-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636391 141393345 /nfs/dbraw/zinc/39/33/45/141393345.db2.gz QFXZZTTZHVEXPZ-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H](CCCC(F)(F)F)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000359638541 141394416 /nfs/dbraw/zinc/39/44/16/141394416.db2.gz SYYJJFMFJHAIDK-CYBMUJFWSA-N 2 2 330.398 3.366 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000171444336 144003808 /nfs/dbraw/zinc/00/38/08/144003808.db2.gz NIYZSYYODSJLKL-SFHVURJKSA-N 2 2 326.444 3.321 20 0 EGADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186825613 144144235 /nfs/dbraw/zinc/14/42/35/144144235.db2.gz JRXPRLATXJQEKI-PMACEKPBSA-N 2 2 331.504 3.229 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1cccc(Br)c1OC ZINC000187088572 144152030 /nfs/dbraw/zinc/15/20/30/144152030.db2.gz UHVGAJVPWJEQAL-UHFFFAOYSA-N 2 2 329.282 3.279 20 0 EGADLP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000188050292 144168350 /nfs/dbraw/zinc/16/83/50/144168350.db2.gz ULQWDPAGVZXJGA-IBGZPJMESA-N 2 2 341.430 3.299 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)c2)c[nH+]1 ZINC000344819750 144227981 /nfs/dbraw/zinc/22/79/81/144227981.db2.gz BEBURXGJXLOGBK-CYBMUJFWSA-N 2 2 341.440 3.184 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)c2)c[nH+]1 ZINC000344819750 144227983 /nfs/dbraw/zinc/22/79/83/144227983.db2.gz BEBURXGJXLOGBK-CYBMUJFWSA-N 2 2 341.440 3.184 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600331 144285945 /nfs/dbraw/zinc/28/59/45/144285945.db2.gz XZBMQCSFSOVQFC-MAUKXSAKSA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600331 144285946 /nfs/dbraw/zinc/28/59/46/144285946.db2.gz XZBMQCSFSOVQFC-MAUKXSAKSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600331 144285948 /nfs/dbraw/zinc/28/59/48/144285948.db2.gz XZBMQCSFSOVQFC-MAUKXSAKSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600331 144285950 /nfs/dbraw/zinc/28/59/50/144285950.db2.gz XZBMQCSFSOVQFC-MAUKXSAKSA-N 2 2 349.906 3.252 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351719696 144296378 /nfs/dbraw/zinc/29/63/78/144296378.db2.gz SAGPZSDWYAXIBL-HIFRSBDPSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351719696 144296379 /nfs/dbraw/zinc/29/63/79/144296379.db2.gz SAGPZSDWYAXIBL-HIFRSBDPSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351719696 144296380 /nfs/dbraw/zinc/29/63/80/144296380.db2.gz SAGPZSDWYAXIBL-HIFRSBDPSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351719696 144296381 /nfs/dbraw/zinc/29/63/81/144296381.db2.gz SAGPZSDWYAXIBL-HIFRSBDPSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000115360832 152008362 /nfs/dbraw/zinc/00/83/62/152008362.db2.gz WTQDDTLFVBEHOR-HNNXBMFYSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000115360832 152008367 /nfs/dbraw/zinc/00/83/67/152008367.db2.gz WTQDDTLFVBEHOR-HNNXBMFYSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](Cc4cccs4)CC3)n2c1 ZINC000119911674 152238861 /nfs/dbraw/zinc/23/88/61/152238861.db2.gz CDHAXVPRYYSABT-UHFFFAOYSA-N 2 2 326.469 3.022 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000194078172 153320429 /nfs/dbraw/zinc/32/04/29/153320429.db2.gz RPKSUSDIWWYLEW-HKUYMTLNSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@H+]1Cc1ccccc1 ZINC000194078172 153320431 /nfs/dbraw/zinc/32/04/31/153320431.db2.gz RPKSUSDIWWYLEW-HKUYMTLNSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1OC(F)F ZINC000303217901 154039987 /nfs/dbraw/zinc/03/99/87/154039987.db2.gz GFWGYNDBOIHQMU-GJZGRUSLSA-N 2 2 342.430 3.031 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000303571543 154048857 /nfs/dbraw/zinc/04/88/57/154048857.db2.gz LFSREXMMCDTSKH-LJQANCHMSA-N 2 2 342.487 3.359 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000305181463 154089823 /nfs/dbraw/zinc/08/98/23/154089823.db2.gz WHVFVCKBOSFDBZ-GRGSLBFTSA-N 2 2 332.488 3.261 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC000310607530 154141134 /nfs/dbraw/zinc/14/11/34/154141134.db2.gz AHJPCBPFYAAYDX-OXJNMPFZSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC000310607530 154141138 /nfs/dbraw/zinc/14/11/38/154141138.db2.gz AHJPCBPFYAAYDX-OXJNMPFZSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(Br)c1 ZINC000312224593 154150612 /nfs/dbraw/zinc/15/06/12/154150612.db2.gz BFJMUDZYTWOOFL-UHFFFAOYSA-N 2 2 341.293 3.423 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336711398 154211567 /nfs/dbraw/zinc/21/15/67/154211567.db2.gz PUIPBLFOJGVSOA-WOJBJXKFSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336711398 154211574 /nfs/dbraw/zinc/21/15/74/154211574.db2.gz PUIPBLFOJGVSOA-WOJBJXKFSA-N 2 2 326.488 3.162 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1C ZINC000336724251 154211992 /nfs/dbraw/zinc/21/19/92/154211992.db2.gz KPVZQFXHOVQORE-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1C ZINC000336724251 154211994 /nfs/dbraw/zinc/21/19/94/154211994.db2.gz KPVZQFXHOVQORE-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP CC(C)OC[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000337332014 154289340 /nfs/dbraw/zinc/28/93/40/154289340.db2.gz HWRIUVYWLCAENI-QZTJIDSGSA-N 2 2 334.504 3.290 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC000337349381 154299344 /nfs/dbraw/zinc/29/93/44/154299344.db2.gz PLKISJDCXWUJJN-KRWDZBQOSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000337349381 154299347 /nfs/dbraw/zinc/29/93/47/154299347.db2.gz PLKISJDCXWUJJN-KRWDZBQOSA-N 2 2 340.471 3.031 20 0 EGADLP CCc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc(C)[nH+]1 ZINC000339968285 155054904 /nfs/dbraw/zinc/05/49/04/155054904.db2.gz XHRMUZBPGJBPFH-UHFFFAOYSA-N 2 2 346.425 3.124 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000346851375 156164611 /nfs/dbraw/zinc/16/46/11/156164611.db2.gz JIGJEGNREWDSQN-CVEARBPZSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000346851375 156164617 /nfs/dbraw/zinc/16/46/17/156164617.db2.gz JIGJEGNREWDSQN-CVEARBPZSA-N 2 2 334.460 3.492 20 0 EGADLP CC1(C)OCc2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000346925617 156199320 /nfs/dbraw/zinc/19/93/20/156199320.db2.gz HTVFSWJGWGSHAV-SFHVURJKSA-N 2 2 340.423 3.380 20 0 EGADLP CC1(C)OCc2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000346925617 156199322 /nfs/dbraw/zinc/19/93/22/156199322.db2.gz HTVFSWJGWGSHAV-SFHVURJKSA-N 2 2 340.423 3.380 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971365 156222659 /nfs/dbraw/zinc/22/26/59/156222659.db2.gz HBMMBAUYYQIFCL-BBRMVZONSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971365 156222663 /nfs/dbraw/zinc/22/26/63/156222663.db2.gz HBMMBAUYYQIFCL-BBRMVZONSA-N 2 2 328.378 3.078 20 0 EGADLP CCC[N@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000347007991 156245155 /nfs/dbraw/zinc/24/51/55/156245155.db2.gz DUTBCHOXOIRCLZ-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP CCC[N@@H+](Cc1cc(Cl)c(OC)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000347007991 156245160 /nfs/dbraw/zinc/24/51/60/156245160.db2.gz DUTBCHOXOIRCLZ-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000347015445 156249894 /nfs/dbraw/zinc/24/98/94/156249894.db2.gz JFSMWKFNCLPMQD-JTQLQIEISA-N 2 2 349.219 3.140 20 0 EGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1OC(F)F ZINC000347015445 156249897 /nfs/dbraw/zinc/24/98/97/156249897.db2.gz JFSMWKFNCLPMQD-JTQLQIEISA-N 2 2 349.219 3.140 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2c[nH+]c3cc(C)ccn23)o1 ZINC000349070000 156342861 /nfs/dbraw/zinc/34/28/61/156342861.db2.gz AIZQZJHGECHGKR-UHFFFAOYSA-N 2 2 326.444 3.108 20 0 EGADLP CCCC(=O)Nc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352777753 156481835 /nfs/dbraw/zinc/48/18/35/156481835.db2.gz CTPMZVSMFKWQGO-UHFFFAOYSA-N 2 2 346.500 3.233 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000359963155 156855677 /nfs/dbraw/zinc/85/56/77/156855677.db2.gz JNLYCRVPTMPTQO-ROUUACIJSA-N 2 2 326.488 3.330 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629843 157195695 /nfs/dbraw/zinc/19/56/95/157195695.db2.gz NUNFGGWWWJWHJZ-MRXNPFEDSA-N 2 2 340.471 3.362 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365629843 157195697 /nfs/dbraw/zinc/19/56/97/157195697.db2.gz NUNFGGWWWJWHJZ-MRXNPFEDSA-N 2 2 340.471 3.362 20 0 EGADLP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl)Cn1cc[nH+]c1 ZINC000066905626 161586588 /nfs/dbraw/zinc/58/65/88/161586588.db2.gz LNDYRSOJMPPHIG-CQSZACIVSA-N 2 2 343.862 3.363 20 0 EGADLP Cc1cc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)oc2cc1C ZINC000093664876 162020029 /nfs/dbraw/zinc/02/00/29/162020029.db2.gz FXJDIVRCSRGOHO-KRWDZBQOSA-N 2 2 328.456 3.204 20 0 EGADLP Cc1cc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)oc2cc1C ZINC000093664876 162020031 /nfs/dbraw/zinc/02/00/31/162020031.db2.gz FXJDIVRCSRGOHO-KRWDZBQOSA-N 2 2 328.456 3.204 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770280 162025995 /nfs/dbraw/zinc/02/59/95/162025995.db2.gz ICVWTIGTANCDTJ-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770280 162025998 /nfs/dbraw/zinc/02/59/98/162025998.db2.gz ICVWTIGTANCDTJ-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770280 162026001 /nfs/dbraw/zinc/02/60/01/162026001.db2.gz ICVWTIGTANCDTJ-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770280 162026006 /nfs/dbraw/zinc/02/60/06/162026006.db2.gz ICVWTIGTANCDTJ-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796768 162111389 /nfs/dbraw/zinc/11/13/89/162111389.db2.gz CBFMSGOADZWPQI-OAHLLOKOSA-N 2 2 349.438 3.095 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000109788021 162111686 /nfs/dbraw/zinc/11/16/86/162111686.db2.gz PWEXGJUVPSQRAX-QGZVFWFLSA-N 2 2 331.504 3.012 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000109788021 162111687 /nfs/dbraw/zinc/11/16/87/162111687.db2.gz PWEXGJUVPSQRAX-QGZVFWFLSA-N 2 2 331.504 3.012 20 0 EGADLP CC(C)c1nc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc[nH+]1 ZINC000110280003 162123086 /nfs/dbraw/zinc/12/30/86/162123086.db2.gz XMQVHIBIXFZEEM-INIZCTEOSA-N 2 2 340.471 3.433 20 0 EGADLP CC(C)c1nc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc[nH+]1 ZINC000110280003 162123089 /nfs/dbraw/zinc/12/30/89/162123089.db2.gz XMQVHIBIXFZEEM-INIZCTEOSA-N 2 2 340.471 3.433 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000111243800 162149258 /nfs/dbraw/zinc/14/92/58/162149258.db2.gz LTHUQAICEOYMOU-IBGZPJMESA-N 2 2 340.471 3.178 20 0 EGADLP CC[NH+](CC)CCOc1ccc(CNc2cc(C)[nH+]cn2)cc1OC ZINC000112552818 162180646 /nfs/dbraw/zinc/18/06/46/162180646.db2.gz OSTLOWZFGYAEIB-UHFFFAOYSA-N 2 2 344.459 3.126 20 0 EGADLP CSC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305111179 163074516 /nfs/dbraw/zinc/07/45/16/163074516.db2.gz CYXDENBLSIEBEH-MRXNPFEDSA-N 2 2 342.936 3.008 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)c[nH+]1 ZINC000354330004 166003887 /nfs/dbraw/zinc/00/38/87/166003887.db2.gz NBFJAERIXKQEQL-ROUUACIJSA-N 2 2 334.410 3.150 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)c[nH+]1 ZINC000354328958 166004059 /nfs/dbraw/zinc/00/40/59/166004059.db2.gz KHJFNKRFICQIMI-INIZCTEOSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269824 163189394 /nfs/dbraw/zinc/18/93/94/163189394.db2.gz MHCIMXXIZPOPLV-ROUUACIJSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269824 163189396 /nfs/dbraw/zinc/18/93/96/163189396.db2.gz MHCIMXXIZPOPLV-ROUUACIJSA-N 2 2 343.515 3.161 20 0 EGADLP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338330453 163212928 /nfs/dbraw/zinc/21/29/28/163212928.db2.gz CUUZQCYKPYSYNT-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338330453 163212929 /nfs/dbraw/zinc/21/29/29/163212929.db2.gz CUUZQCYKPYSYNT-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)ccc2n1C1CC1 ZINC000338674186 163314640 /nfs/dbraw/zinc/31/46/40/163314640.db2.gz NVLDFFQGDKJUIS-LJQANCHMSA-N 2 2 342.487 3.136 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCOC2(C)C)CCOCC1)c1ccccc1 ZINC000340247224 287009236 /nfs/dbraw/zinc/00/92/36/287009236.db2.gz JXUOTUNUVSWONN-SJLPKXTDSA-N 2 2 332.488 3.044 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343738516 164023585 /nfs/dbraw/zinc/02/35/85/164023585.db2.gz KQVHWKIWBSYERT-UHFFFAOYSA-N 2 2 332.879 3.333 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000343917669 164065672 /nfs/dbraw/zinc/06/56/72/164065672.db2.gz AXKOAYJCADFJKX-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000343917669 164065673 /nfs/dbraw/zinc/06/56/73/164065673.db2.gz AXKOAYJCADFJKX-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP CN(CCC[N@H+](C)Cc1csc(C2CCCC2)n1)CC[NH+](C)C ZINC000344026365 164085586 /nfs/dbraw/zinc/08/55/86/164085586.db2.gz JHXQBGXLECXDTA-UHFFFAOYSA-N 2 2 338.565 3.116 20 0 EGADLP CN(CCC[N@@H+](C)Cc1csc(C2CCCC2)n1)CC[NH+](C)C ZINC000344026365 164085588 /nfs/dbraw/zinc/08/55/88/164085588.db2.gz JHXQBGXLECXDTA-UHFFFAOYSA-N 2 2 338.565 3.116 20 0 EGADLP COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344330411 164158385 /nfs/dbraw/zinc/15/83/85/164158385.db2.gz UYHSZDBUXKXUAP-KRWDZBQOSA-N 2 2 325.412 3.203 20 0 EGADLP COC(=O)c1occc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000344392160 164168927 /nfs/dbraw/zinc/16/89/27/164168927.db2.gz VKGOCCIJKAMNBO-HNNXBMFYSA-N 2 2 342.439 3.381 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000345748153 164257666 /nfs/dbraw/zinc/25/76/66/164257666.db2.gz INKQFSSJFDOROA-KRWDZBQOSA-N 2 2 340.471 3.175 20 0 EGADLP C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345936904 164299629 /nfs/dbraw/zinc/29/96/29/164299629.db2.gz QZKYYUHQVGCKIR-KSZLIROESA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345936904 164299630 /nfs/dbraw/zinc/29/96/30/164299630.db2.gz QZKYYUHQVGCKIR-KSZLIROESA-N 2 2 346.519 3.163 20 0 EGADLP C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346151354 164350960 /nfs/dbraw/zinc/35/09/60/164350960.db2.gz YPNFQWIBNUTGAT-UHFFFAOYSA-N 2 2 335.473 3.488 20 0 EGADLP C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346151354 164350962 /nfs/dbraw/zinc/35/09/62/164350962.db2.gz YPNFQWIBNUTGAT-UHFFFAOYSA-N 2 2 335.473 3.488 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543544 164394181 /nfs/dbraw/zinc/39/41/81/164394181.db2.gz XJSMMCFRIHERSF-XYPHTWIQSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543544 164394183 /nfs/dbraw/zinc/39/41/83/164394183.db2.gz XJSMMCFRIHERSF-XYPHTWIQSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543544 164394184 /nfs/dbraw/zinc/39/41/84/164394184.db2.gz XJSMMCFRIHERSF-XYPHTWIQSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543544 164394186 /nfs/dbraw/zinc/39/41/86/164394186.db2.gz XJSMMCFRIHERSF-XYPHTWIQSA-N 2 2 343.437 3.238 20 0 EGADLP C[NH+](C)Cc1cc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)ccc1F ZINC000350402442 165042333 /nfs/dbraw/zinc/04/23/33/165042333.db2.gz FRXYJKIEULXIIO-OAHLLOKOSA-N 2 2 341.390 3.060 20 0 EGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352256031 165313673 /nfs/dbraw/zinc/31/36/73/165313673.db2.gz FVANIMXZQMDBMC-UHFFFAOYSA-N 3 2 346.544 3.336 20 0 EGADLP Oc1cc(F)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355275115 166151020 /nfs/dbraw/zinc/15/10/20/166151020.db2.gz CTSIHYYKWJCOCA-ROUUACIJSA-N 2 2 326.415 3.095 20 0 EGADLP Oc1cc(F)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000355275113 166151518 /nfs/dbraw/zinc/15/15/18/166151518.db2.gz CTSIHYYKWJCOCA-QZTJIDSGSA-N 2 2 326.415 3.095 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000355368457 166176056 /nfs/dbraw/zinc/17/60/56/166176056.db2.gz QDOGXOJOGABDAL-INIZCTEOSA-N 2 2 341.455 3.036 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000355368457 166176059 /nfs/dbraw/zinc/17/60/59/166176059.db2.gz QDOGXOJOGABDAL-INIZCTEOSA-N 2 2 341.455 3.036 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cc(C)c3[nH+]ccn3c2)c1 ZINC000355454318 166205711 /nfs/dbraw/zinc/20/57/11/166205711.db2.gz ZDLZALGAXNMTTK-UHFFFAOYSA-N 2 2 331.379 3.389 20 0 EGADLP CCCCN(C(=O)CCc1c[nH+]cn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000355679081 166281974 /nfs/dbraw/zinc/28/19/74/166281974.db2.gz ZJWJEDVVSODJRD-UHFFFAOYSA-N 2 2 348.535 3.291 20 0 EGADLP CC[NH2+][C@@H](C)CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000358913037 167003635 /nfs/dbraw/zinc/00/36/35/167003635.db2.gz GIDCUPYMMJHPQL-LBPRGKRZSA-N 2 2 333.819 3.255 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358979029 167026325 /nfs/dbraw/zinc/02/63/25/167026325.db2.gz FWKXMQDNSBTGSI-MJUUVYJYSA-N 2 2 328.500 3.204 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000358979029 167026327 /nfs/dbraw/zinc/02/63/27/167026327.db2.gz FWKXMQDNSBTGSI-MJUUVYJYSA-N 2 2 328.500 3.204 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360331035 167304599 /nfs/dbraw/zinc/30/45/99/167304599.db2.gz YEJVHJDGJOORSP-BJLQDIEVSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360331035 167304600 /nfs/dbraw/zinc/30/46/00/167304600.db2.gz YEJVHJDGJOORSP-BJLQDIEVSA-N 2 2 345.531 3.037 20 0 EGADLP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000360335838 167305693 /nfs/dbraw/zinc/30/56/93/167305693.db2.gz HZAPUDXJYNXMDV-IEBWSBKVSA-N 2 2 335.451 3.374 20 0 EGADLP C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030481 168170018 /nfs/dbraw/zinc/17/00/18/168170018.db2.gz QSFDFKFAPPWDSU-FXAWDEMLSA-N 2 2 349.950 3.230 20 0 EGADLP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030481 168170019 /nfs/dbraw/zinc/17/00/19/168170019.db2.gz QSFDFKFAPPWDSU-FXAWDEMLSA-N 2 2 349.950 3.230 20 0 EGADLP C[NH+]1CCC2(CCC[N@H+](Cc3noc(C4CCCCC4)n3)C2)CC1 ZINC000367202064 168192136 /nfs/dbraw/zinc/19/21/36/168192136.db2.gz XMZBJARRXZDMFY-UHFFFAOYSA-N 2 2 332.492 3.425 20 0 EGADLP C[NH+]1CCC2(CCC[N@@H+](Cc3noc(C4CCCCC4)n3)C2)CC1 ZINC000367202064 168192137 /nfs/dbraw/zinc/19/21/37/168192137.db2.gz XMZBJARRXZDMFY-UHFFFAOYSA-N 2 2 332.492 3.425 20 0 EGADLP c1c[nH]c([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCCC2)n1 ZINC000367614854 168249640 /nfs/dbraw/zinc/24/96/40/168249640.db2.gz JEZXYGKILAAMFN-QFBILLFUSA-N 2 2 346.519 3.122 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000163823069 226019583 /nfs/dbraw/zinc/01/95/83/226019583.db2.gz YGPYQCJFYLHYHN-HNNXBMFYSA-N 2 2 340.427 3.191 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000166774736 226170128 /nfs/dbraw/zinc/17/01/28/226170128.db2.gz HYRUGGCKDZHRAG-HUUCEWRRSA-N 2 2 335.517 3.346 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000166774736 226170131 /nfs/dbraw/zinc/17/01/31/226170131.db2.gz HYRUGGCKDZHRAG-HUUCEWRRSA-N 2 2 335.517 3.346 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000165350666 264927889 /nfs/dbraw/zinc/92/78/89/264927889.db2.gz XSGNTNVLLQSEOK-DLBZAZTESA-N 2 2 326.444 3.323 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964561 265082918 /nfs/dbraw/zinc/08/29/18/265082918.db2.gz VRNLYOUQQQYZFG-WIYYLYMNSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964561 265082920 /nfs/dbraw/zinc/08/29/20/265082920.db2.gz VRNLYOUQQQYZFG-WIYYLYMNSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964561 265082923 /nfs/dbraw/zinc/08/29/23/265082923.db2.gz VRNLYOUQQQYZFG-WIYYLYMNSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964561 265082927 /nfs/dbraw/zinc/08/29/27/265082927.db2.gz VRNLYOUQQQYZFG-WIYYLYMNSA-N 2 2 345.531 3.164 20 0 EGADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177484421 265257165 /nfs/dbraw/zinc/25/71/65/265257165.db2.gz AANWGFDWMLAQHZ-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000221156386 266196203 /nfs/dbraw/zinc/19/62/03/266196203.db2.gz USIHIFMWRPTEDF-OAHLLOKOSA-N 2 2 341.293 3.422 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000221156386 266196206 /nfs/dbraw/zinc/19/62/06/266196206.db2.gz USIHIFMWRPTEDF-OAHLLOKOSA-N 2 2 341.293 3.422 20 0 EGADLP [NH3+]CC1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCCC1 ZINC000237827916 266246244 /nfs/dbraw/zinc/24/62/44/266246244.db2.gz BONDNXNKBHPNGG-UHFFFAOYSA-N 2 2 338.455 3.344 20 0 EGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000269917147 266382006 /nfs/dbraw/zinc/38/20/06/266382006.db2.gz LMSHIKNZCGNCLR-SCLBCKFNSA-N 2 2 336.426 3.043 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCNc1cccc[nH+]1)NC(=O)OC(C)(C)C ZINC000271292505 266636490 /nfs/dbraw/zinc/63/64/90/266636490.db2.gz SCBUSGMRHTUUMP-LSDHHAIUSA-N 2 2 336.480 3.165 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000274281525 267211314 /nfs/dbraw/zinc/21/13/14/267211314.db2.gz YMCCKVJCJRLLCJ-STQMWFEESA-N 2 2 334.489 3.199 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924625 267306840 /nfs/dbraw/zinc/30/68/40/267306840.db2.gz PPWITBKFPGHSBP-HKUYNNGSSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924625 267306842 /nfs/dbraw/zinc/30/68/42/267306842.db2.gz PPWITBKFPGHSBP-HKUYNNGSSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000275108120 267319449 /nfs/dbraw/zinc/31/94/49/267319449.db2.gz FJYHYLDVHMRMBJ-WBMJQRKESA-N 2 2 345.830 3.255 20 0 EGADLP Brc1ccc2c(c1)[nH+]ccc2N1CCn2c[nH+]cc2C1 ZINC000377977002 273474930 /nfs/dbraw/zinc/47/49/30/273474930.db2.gz LGOMBVHPCIPHLP-UHFFFAOYSA-N 2 2 329.201 3.214 20 0 EGADLP Brc1cccc2c(N3CC[C@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000266240873 273475624 /nfs/dbraw/zinc/47/56/24/273475624.db2.gz LEZCOEWQQOXXCW-ZDUSSCGKSA-N 2 2 344.256 3.448 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000360494126 274026143 /nfs/dbraw/zinc/02/61/43/274026143.db2.gz BTEZSDFUYFFGJD-DOMZBBRYSA-N 2 2 326.531 3.374 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000370040995 274850873 /nfs/dbraw/zinc/85/08/73/274850873.db2.gz NYKAFQRBGXEBRL-MRXNPFEDSA-N 2 2 339.439 3.077 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[NH+]1CCCC1 ZINC000194812058 275226657 /nfs/dbraw/zinc/22/66/57/275226657.db2.gz LZBSQQMEXNQQEY-ZDUSSCGKSA-N 2 2 343.393 3.108 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379843 275255812 /nfs/dbraw/zinc/25/58/12/275255812.db2.gz CISXUAAHAXXOMD-RXVVDRJESA-N 2 2 339.483 3.262 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379843 275255814 /nfs/dbraw/zinc/25/58/14/275255814.db2.gz CISXUAAHAXXOMD-RXVVDRJESA-N 2 2 339.483 3.262 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000279619373 275344528 /nfs/dbraw/zinc/34/45/28/275344528.db2.gz YEFMRJGFESLMBZ-CRAIPNDOSA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000279619373 275344530 /nfs/dbraw/zinc/34/45/30/275344530.db2.gz YEFMRJGFESLMBZ-CRAIPNDOSA-N 2 2 340.895 3.118 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@H]1C ZINC000280022831 275392891 /nfs/dbraw/zinc/39/28/91/275392891.db2.gz UBZMTBRFBHDZNV-BHYGNILZSA-N 2 2 343.471 3.302 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000286688308 276033280 /nfs/dbraw/zinc/03/32/80/276033280.db2.gz VVKIHYGBNVDPEI-GJZGRUSLSA-N 2 2 347.894 3.192 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000286688316 276033303 /nfs/dbraw/zinc/03/33/03/276033303.db2.gz VVKIHYGBNVDPEI-LSDHHAIUSA-N 2 2 347.894 3.192 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000286978320 276065817 /nfs/dbraw/zinc/06/58/17/276065817.db2.gz IWFXWFWQCFPSOQ-POAQFYNOSA-N 2 2 333.520 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000286978320 276065818 /nfs/dbraw/zinc/06/58/18/276065818.db2.gz IWFXWFWQCFPSOQ-POAQFYNOSA-N 2 2 333.520 3.149 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000287535781 276129992 /nfs/dbraw/zinc/12/99/92/276129992.db2.gz DUVGGSKMEZTNBT-HOTGVXAUSA-N 2 2 339.361 3.131 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000287582168 276136065 /nfs/dbraw/zinc/13/60/65/276136065.db2.gz QXFHISOVBYNMKI-GOSISDBHSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000287582168 276136066 /nfs/dbraw/zinc/13/60/66/276136066.db2.gz QXFHISOVBYNMKI-GOSISDBHSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)c2c([nH+]1)CCCC2 ZINC000287612489 276139523 /nfs/dbraw/zinc/13/95/23/276139523.db2.gz GCXOFRWVOVMGRX-UHFFFAOYSA-N 2 2 337.471 3.135 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287821305 276160511 /nfs/dbraw/zinc/16/05/11/276160511.db2.gz VFBSPALAYIEQDL-XZDPQHSOSA-N 2 2 330.394 3.377 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845830 276162788 /nfs/dbraw/zinc/16/27/88/276162788.db2.gz WMBXPCLXFNNEDO-BLLLJJGKSA-N 2 2 326.843 3.241 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Cl)c1F ZINC000287845830 276162789 /nfs/dbraw/zinc/16/27/89/276162789.db2.gz WMBXPCLXFNNEDO-BLLLJJGKSA-N 2 2 326.843 3.241 20 0 EGADLP COc1ccncc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000287880706 276166228 /nfs/dbraw/zinc/16/62/28/276166228.db2.gz STXQGJODAQUOKK-UHFFFAOYSA-N 2 2 326.444 3.003 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400652 276333487 /nfs/dbraw/zinc/33/34/87/276333487.db2.gz RZFZUVNSYKOGRM-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400652 276333489 /nfs/dbraw/zinc/33/34/89/276333489.db2.gz RZFZUVNSYKOGRM-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP Fc1ccc2c(c1)onc2C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000289762871 276390016 /nfs/dbraw/zinc/39/00/16/276390016.db2.gz KVOFYWIVHLADGP-UHFFFAOYSA-N 2 2 328.391 3.433 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1O ZINC000289772165 276391600 /nfs/dbraw/zinc/39/16/00/276391600.db2.gz NMIVACPSRLGLEP-OAHLLOKOSA-N 2 2 337.423 3.496 20 0 EGADLP CCOC(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000079071307 276432661 /nfs/dbraw/zinc/43/26/61/276432661.db2.gz RZJUDJGDJXANPS-IBGZPJMESA-N 2 2 345.487 3.034 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290260052 276472172 /nfs/dbraw/zinc/47/21/72/276472172.db2.gz XKDMGXHIFZMBGA-ZWKOTPCHSA-N 2 2 325.412 3.447 20 0 EGADLP COc1ccncc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000292613099 276836803 /nfs/dbraw/zinc/83/68/03/276836803.db2.gz IDPYNGMXAWAHNT-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCCn3cc[nH+]c31)CC2 ZINC000366450139 277855631 /nfs/dbraw/zinc/85/56/31/277855631.db2.gz OUYLNRWFLDHOOS-GDBMZVCRSA-N 2 2 327.428 3.055 20 0 EGADLP COc1ccccc1[C@@H](CNCc1[nH+]cc(C)n1C)[NH+]1CCCCC1 ZINC000341151107 278059798 /nfs/dbraw/zinc/05/97/98/278059798.db2.gz UYWHEJKAOIQLOU-GOSISDBHSA-N 2 2 342.487 3.054 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000358155046 278172687 /nfs/dbraw/zinc/17/26/87/278172687.db2.gz OFKAKQBDWYJWME-KGLIPLIRSA-N 2 2 341.293 3.211 20 0 EGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722377 278305282 /nfs/dbraw/zinc/30/52/82/278305282.db2.gz DWZDJWLSAMAYJT-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722377 278305283 /nfs/dbraw/zinc/30/52/83/278305283.db2.gz DWZDJWLSAMAYJT-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1cc(F)ccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722377 278305284 /nfs/dbraw/zinc/30/52/84/278305284.db2.gz DWZDJWLSAMAYJT-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1cc(F)ccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722377 278305285 /nfs/dbraw/zinc/30/52/85/278305285.db2.gz DWZDJWLSAMAYJT-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865149 279336662 /nfs/dbraw/zinc/33/66/62/279336662.db2.gz PWWOAJINWCTTHK-MAUKXSAKSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865149 279336667 /nfs/dbraw/zinc/33/66/67/279336667.db2.gz PWWOAJINWCTTHK-MAUKXSAKSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865149 279336668 /nfs/dbraw/zinc/33/66/68/279336668.db2.gz PWWOAJINWCTTHK-MAUKXSAKSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865149 279336672 /nfs/dbraw/zinc/33/66/72/279336672.db2.gz PWWOAJINWCTTHK-MAUKXSAKSA-N 2 2 330.520 3.166 20 0 EGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351583652 280274365 /nfs/dbraw/zinc/27/43/65/280274365.db2.gz UUPKWYUORYITBS-APWZRJJASA-N 2 2 330.472 3.483 20 0 EGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351583652 280274368 /nfs/dbraw/zinc/27/43/68/280274368.db2.gz UUPKWYUORYITBS-APWZRJJASA-N 2 2 330.472 3.483 20 0 EGADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261788906 290215885 /nfs/dbraw/zinc/21/58/85/290215885.db2.gz XRDOOMPDMICZBZ-TZMCWYRMSA-N 2 2 328.287 3.034 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000132102127 307654083 /nfs/dbraw/zinc/65/40/83/307654083.db2.gz JOHJDRNFIADHGX-ZDUSSCGKSA-N 2 2 349.910 3.468 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000414131119 309062802 /nfs/dbraw/zinc/06/28/02/309062802.db2.gz XKMKIZZLMARSJO-SJORKVTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000414131119 309062803 /nfs/dbraw/zinc/06/28/03/309062803.db2.gz XKMKIZZLMARSJO-SJORKVTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1cccc(C2(C[NH2+]Cc3c[nH+]c(N(C)C)n3C)CCCC2)c1 ZINC000414332825 309073605 /nfs/dbraw/zinc/07/36/05/309073605.db2.gz AFJNNYULFWNLTH-UHFFFAOYSA-N 2 2 342.487 3.096 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)c2ccc(F)cc2Cl)n1C ZINC000414352090 309074583 /nfs/dbraw/zinc/07/45/83/309074583.db2.gz PDJXZOOWOIAWIQ-UHFFFAOYSA-N 2 2 338.858 3.346 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)n1C ZINC000414386916 309077071 /nfs/dbraw/zinc/07/70/71/309077071.db2.gz ZIASDUGSSWLNES-OAHLLOKOSA-N 2 2 332.423 3.017 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415566 309078793 /nfs/dbraw/zinc/07/87/93/309078793.db2.gz UVQQKMAQMDJOHC-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415566 309078794 /nfs/dbraw/zinc/07/87/94/309078794.db2.gz UVQQKMAQMDJOHC-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415566 309078795 /nfs/dbraw/zinc/07/87/95/309078795.db2.gz UVQQKMAQMDJOHC-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415566 309078796 /nfs/dbraw/zinc/07/87/96/309078796.db2.gz UVQQKMAQMDJOHC-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292997966 308088405 /nfs/dbraw/zinc/08/84/05/308088405.db2.gz OPCXNDYAGYLGFK-DNVCBOLYSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292997966 308088407 /nfs/dbraw/zinc/08/84/07/308088407.db2.gz OPCXNDYAGYLGFK-DNVCBOLYSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292997966 308088409 /nfs/dbraw/zinc/08/84/09/308088409.db2.gz OPCXNDYAGYLGFK-DNVCBOLYSA-N 2 2 326.444 3.215 20 0 EGADLP CC(C)(C)c1nnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH]1 ZINC000293033295 308092107 /nfs/dbraw/zinc/09/21/07/308092107.db2.gz WKLPVZMOVBGELH-UHFFFAOYSA-N 2 2 342.491 3.015 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085511 308098033 /nfs/dbraw/zinc/09/80/33/308098033.db2.gz WNKLNVPZPNLESP-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085511 308098035 /nfs/dbraw/zinc/09/80/35/308098035.db2.gz WNKLNVPZPNLESP-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085511 308098037 /nfs/dbraw/zinc/09/80/37/308098037.db2.gz WNKLNVPZPNLESP-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)C1 ZINC000293085511 308098039 /nfs/dbraw/zinc/09/80/39/308098039.db2.gz WNKLNVPZPNLESP-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000295146921 308296848 /nfs/dbraw/zinc/29/68/48/308296848.db2.gz QPYPEHQFQKZGDW-YSGRDPCXSA-N 2 2 334.479 3.492 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414650632 309093580 /nfs/dbraw/zinc/09/35/80/309093580.db2.gz DLQMOFLFTFUIAF-AWEZNQCLSA-N 2 2 346.393 3.340 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414650632 309093581 /nfs/dbraw/zinc/09/35/81/309093581.db2.gz DLQMOFLFTFUIAF-AWEZNQCLSA-N 2 2 346.393 3.340 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cc(F)ncc1F ZINC000296612568 308447518 /nfs/dbraw/zinc/44/75/18/308447518.db2.gz ZHFXRPFFICAWTQ-UHFFFAOYSA-N 2 2 349.425 3.370 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414743511 309098456 /nfs/dbraw/zinc/09/84/56/309098456.db2.gz HGMHKQYQYZDKDC-NVXWUHKLSA-N 3 2 326.488 3.370 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414776772 309100352 /nfs/dbraw/zinc/10/03/52/309100352.db2.gz HRQHBWXZZKWPRV-CYBMUJFWSA-N 2 2 346.368 3.032 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414776772 309100353 /nfs/dbraw/zinc/10/03/53/309100353.db2.gz HRQHBWXZZKWPRV-CYBMUJFWSA-N 2 2 346.368 3.032 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414820744 309103685 /nfs/dbraw/zinc/10/36/85/309103685.db2.gz DAVFBTXCGBXYBB-UHFFFAOYSA-N 2 2 326.469 3.300 20 0 EGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414817230 309103502 /nfs/dbraw/zinc/10/35/02/309103502.db2.gz RSLSDPRGXAFNNB-ZDUSSCGKSA-N 2 2 333.457 3.146 20 0 EGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000414818480 309103535 /nfs/dbraw/zinc/10/35/35/309103535.db2.gz VVQPLGDZBDEILR-LBPRGKRZSA-N 2 2 345.281 3.073 20 0 EGADLP c1coc([C@H](CNc2cc(NCC3CC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000301305986 308695839 /nfs/dbraw/zinc/69/58/39/308695839.db2.gz YLJVOVZJMSFDHD-HNNXBMFYSA-N 2 2 327.432 3.141 20 0 EGADLP CCCC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301899593 308720622 /nfs/dbraw/zinc/72/06/22/308720622.db2.gz TXZSFOKDGVWCEN-UHFFFAOYSA-N 2 2 330.480 3.258 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(O)c1Br)C[NH+]1CCCCC1 ZINC000315094221 308765666 /nfs/dbraw/zinc/76/56/66/308765666.db2.gz VQNZPKOBGWCFRA-ZDUSSCGKSA-N 2 2 341.293 3.366 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C[C@H]1C ZINC000331760081 308816594 /nfs/dbraw/zinc/81/65/94/308816594.db2.gz AVDVSRVPKKYGPT-BSWAZPDLSA-N 2 2 333.476 3.026 20 0 EGADLP C[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1nc2c(s1)CCCC2 ZINC000333260945 308854825 /nfs/dbraw/zinc/85/48/25/308854825.db2.gz MBPXNHPFSGIFST-HEHGZKQESA-N 2 2 346.500 3.326 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400369109 308907283 /nfs/dbraw/zinc/90/72/83/308907283.db2.gz GJGFXOHVGAIILC-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414868943 309106458 /nfs/dbraw/zinc/10/64/58/309106458.db2.gz QKJRSPQMUILATH-INIZCTEOSA-N 2 2 338.480 3.442 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)ccc2C)cc1 ZINC000414894048 309107800 /nfs/dbraw/zinc/10/78/00/309107800.db2.gz YUXMIVUWHLUTKT-UXHICEINSA-N 2 2 328.431 3.378 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000414956040 309111301 /nfs/dbraw/zinc/11/13/01/309111301.db2.gz MUVMSQLYLLQJHU-YLJYHZDGSA-N 2 2 345.437 3.336 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c[nH+]1 ZINC000414956040 309111302 /nfs/dbraw/zinc/11/13/02/309111302.db2.gz MUVMSQLYLLQJHU-YLJYHZDGSA-N 3 2 345.437 3.336 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414976319 309112562 /nfs/dbraw/zinc/11/25/62/309112562.db2.gz IAZFKJZHCATOIN-LLVKDONJSA-N 2 2 325.172 3.295 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000415087445 309119275 /nfs/dbraw/zinc/11/92/75/309119275.db2.gz UODSDJFAYIYRPK-CGTJXYLNSA-N 3 2 328.435 3.022 20 0 EGADLP COc1cc(C[N@H+](C)CC[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000415115445 309121280 /nfs/dbraw/zinc/12/12/80/309121280.db2.gz WXWQZPWVQGZGAR-UHFFFAOYSA-N 2 2 334.847 3.318 20 0 EGADLP COc1cc(C[N@@H+](C)CC[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000415115445 309121281 /nfs/dbraw/zinc/12/12/81/309121281.db2.gz WXWQZPWVQGZGAR-UHFFFAOYSA-N 2 2 334.847 3.318 20 0 EGADLP [NH3+][C@@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)C[C@H]1c1cccc(F)c1 ZINC000415119407 309121641 /nfs/dbraw/zinc/12/16/41/309121641.db2.gz FFEKHMZZOMYYQG-DLBZAZTESA-N 2 2 344.821 3.054 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C)CC[NH3+])c1 ZINC000415292866 309130055 /nfs/dbraw/zinc/13/00/55/309130055.db2.gz KOLLSYHNZZTVPS-AWEZNQCLSA-N 2 2 329.448 3.209 20 0 EGADLP Cc1cc(NC(=O)N(C)CC(C)(C)C[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000415426593 309133287 /nfs/dbraw/zinc/13/32/87/309133287.db2.gz ARLDRCIOXVNXSR-OAHLLOKOSA-N 2 2 347.507 3.217 20 0 EGADLP CC[N@H+](CCCNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415944886 309150489 /nfs/dbraw/zinc/15/04/89/309150489.db2.gz BFXKDRICJZDIPG-UHFFFAOYSA-N 2 2 326.444 3.183 20 0 EGADLP CC[N@@H+](CCCNC(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000415944886 309150490 /nfs/dbraw/zinc/15/04/90/309150490.db2.gz BFXKDRICJZDIPG-UHFFFAOYSA-N 2 2 326.444 3.183 20 0 EGADLP CCn1c[nH+]cc1CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417827189 309224188 /nfs/dbraw/zinc/22/41/88/309224188.db2.gz PGKDPWYNBDHQRX-HZPDHXFCSA-N 2 2 328.460 3.124 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2COC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000417930466 309228775 /nfs/dbraw/zinc/22/87/75/309228775.db2.gz UJADVINFFAVRQN-WMZOPIPTSA-N 2 2 332.488 3.044 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419698972 309271024 /nfs/dbraw/zinc/27/10/24/309271024.db2.gz UWWYIHIMIWQMHT-UHFFFAOYSA-N 2 2 326.366 3.103 20 0 EGADLP Brc1cccc2c(N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc[nH+]c12 ZINC000420252879 309278188 /nfs/dbraw/zinc/27/81/88/309278188.db2.gz BXUPDHDUUAOLEA-VXGBXAGGSA-N 2 2 332.245 3.043 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301482 309280377 /nfs/dbraw/zinc/28/03/77/309280377.db2.gz FBWQPGDCPLIRFK-QFBILLFUSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301482 309280378 /nfs/dbraw/zinc/28/03/78/309280378.db2.gz FBWQPGDCPLIRFK-QFBILLFUSA-N 2 2 349.478 3.119 20 0 EGADLP C[N@H+](Cc1cncc(OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420309802 309281071 /nfs/dbraw/zinc/28/10/71/309281071.db2.gz FHLQDHHNCFEPAC-YOFSQIOKSA-N 2 2 337.467 3.375 20 0 EGADLP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420309802 309281072 /nfs/dbraw/zinc/28/10/72/309281072.db2.gz FHLQDHHNCFEPAC-YOFSQIOKSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420322093 309282199 /nfs/dbraw/zinc/28/21/99/309282199.db2.gz WCFDOBKYVRDQOM-UYAOXDASSA-N 2 2 341.430 3.176 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420322093 309282200 /nfs/dbraw/zinc/28/22/00/309282200.db2.gz WCFDOBKYVRDQOM-UYAOXDASSA-N 2 2 341.430 3.176 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327868 309282629 /nfs/dbraw/zinc/28/26/29/309282629.db2.gz ZGZZVDCFKCVPDY-ZRGWGRIASA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327868 309282630 /nfs/dbraw/zinc/28/26/30/309282630.db2.gz ZGZZVDCFKCVPDY-ZRGWGRIASA-N 2 2 341.430 3.175 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420357552 309283874 /nfs/dbraw/zinc/28/38/74/309283874.db2.gz IEAGUCVANADDPA-SFHVURJKSA-N 2 2 331.504 3.420 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000420360764 309284037 /nfs/dbraw/zinc/28/40/37/309284037.db2.gz LKKWOOOSMKROIQ-AZUAARDMSA-N 2 2 345.531 3.387 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000420360124 309284213 /nfs/dbraw/zinc/28/42/13/309284213.db2.gz GDNQHRUMLYXHJS-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000420360124 309284214 /nfs/dbraw/zinc/28/42/14/309284214.db2.gz GDNQHRUMLYXHJS-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000420365360 309284421 /nfs/dbraw/zinc/28/44/21/309284421.db2.gz PWWADLGALMWHOH-QGZVFWFLSA-N 2 2 329.513 3.406 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420366813 309284580 /nfs/dbraw/zinc/28/45/80/309284580.db2.gz MMCVBCTVNIZTJY-JUFZMCDQSA-N 2 2 343.393 3.009 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420370958 309284813 /nfs/dbraw/zinc/28/48/13/309284813.db2.gz WJZMKAUBOBBODO-HZMBPMFUSA-N 2 2 346.302 3.134 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420377680 309285240 /nfs/dbraw/zinc/28/52/40/309285240.db2.gz WIVMMWKZSLKIIA-JXXFODFXSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000420410697 309286994 /nfs/dbraw/zinc/28/69/94/309286994.db2.gz RFEFRMYZFOMGSC-SNPRPXQTSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000420410697 309286995 /nfs/dbraw/zinc/28/69/95/309286995.db2.gz RFEFRMYZFOMGSC-SNPRPXQTSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC000420781173 309294347 /nfs/dbraw/zinc/29/43/47/309294347.db2.gz OVYWBXNVQFXJFY-IYBDPMFKSA-N 2 2 346.519 3.256 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC000420781173 309294348 /nfs/dbraw/zinc/29/43/48/309294348.db2.gz OVYWBXNVQFXJFY-IYBDPMFKSA-N 2 2 346.519 3.256 20 0 EGADLP C[C@H]1Cc2[nH+]cn(Cc3cccc(C[NH+]4CCOCC4)c3)c2C[C@@H]1C ZINC000420918925 309300930 /nfs/dbraw/zinc/30/09/30/309300930.db2.gz ANKPTLXEXJMLPR-IRXDYDNUSA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc(C)[nH+]1 ZINC000420916980 309300942 /nfs/dbraw/zinc/30/09/42/309300942.db2.gz NEBSTZAJFSXPMY-GOSISDBHSA-N 2 2 332.492 3.008 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1c(F)cccc1F ZINC000420975386 309305359 /nfs/dbraw/zinc/30/53/59/309305359.db2.gz PMSSWGGTHIEKHU-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1c(F)cccc1F ZINC000420975386 309305360 /nfs/dbraw/zinc/30/53/60/309305360.db2.gz PMSSWGGTHIEKHU-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000420979250 309305671 /nfs/dbraw/zinc/30/56/71/309305671.db2.gz VJHCOSSTVNVUTR-HXUWFJFHSA-N 2 2 346.540 3.238 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000420979250 309305672 /nfs/dbraw/zinc/30/56/72/309305672.db2.gz VJHCOSSTVNVUTR-HXUWFJFHSA-N 2 2 346.540 3.238 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C)cc3)CC2)CC1 ZINC000421042543 309309971 /nfs/dbraw/zinc/30/99/71/309309971.db2.gz YVGUOGUJQGZCQS-UHFFFAOYSA-N 2 2 344.503 3.019 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)cc3)CC2)CC1 ZINC000421042543 309309972 /nfs/dbraw/zinc/30/99/72/309309972.db2.gz YVGUOGUJQGZCQS-UHFFFAOYSA-N 2 2 344.503 3.019 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]C2CC3(C2)CCCCC3)[N@H+](Cc2ccccc2)C1 ZINC000421341799 309319098 /nfs/dbraw/zinc/31/90/98/309319098.db2.gz MCQBBUHHLSUIMO-PMACEKPBSA-N 2 2 328.500 3.324 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]C2CC3(C2)CCCCC3)[N@@H+](Cc2ccccc2)C1 ZINC000421341799 309319099 /nfs/dbraw/zinc/31/90/99/309319099.db2.gz MCQBBUHHLSUIMO-PMACEKPBSA-N 2 2 328.500 3.324 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840233 309342632 /nfs/dbraw/zinc/34/26/32/309342632.db2.gz YJMWGLCIMWVZPB-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840233 309342633 /nfs/dbraw/zinc/34/26/33/309342633.db2.gz YJMWGLCIMWVZPB-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP CCCC[C@@H](CC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008290 309350742 /nfs/dbraw/zinc/35/07/42/309350742.db2.gz PKWPKDRTAIXJSP-GOSISDBHSA-N 2 2 337.552 3.221 20 0 EGADLP CCCC[C@@H](CC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008290 309350743 /nfs/dbraw/zinc/35/07/43/309350743.db2.gz PKWPKDRTAIXJSP-GOSISDBHSA-N 2 2 337.552 3.221 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)n2)cc1 ZINC000422626001 309362693 /nfs/dbraw/zinc/36/26/93/309362693.db2.gz CYRKRIFOICMFON-ZQIUZPCESA-N 2 2 328.460 3.104 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)n2)cc1 ZINC000422626001 309362694 /nfs/dbraw/zinc/36/26/94/309362694.db2.gz CYRKRIFOICMFON-ZQIUZPCESA-N 2 2 328.460 3.104 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000422641359 309363128 /nfs/dbraw/zinc/36/31/28/309363128.db2.gz XUZXRKXUELXJBR-OWCLPIDISA-N 2 2 331.504 3.228 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000422641359 309363129 /nfs/dbraw/zinc/36/31/29/309363129.db2.gz XUZXRKXUELXJBR-OWCLPIDISA-N 2 2 331.504 3.228 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422705356 309363969 /nfs/dbraw/zinc/36/39/69/309363969.db2.gz RJDIXOARXBRMIS-JKSUJKDBSA-N 2 2 330.815 3.346 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422724230 309365161 /nfs/dbraw/zinc/36/51/61/309365161.db2.gz UZPZZDMDWLLJOV-WFASDCNBSA-N 2 2 326.868 3.368 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422777888 309367766 /nfs/dbraw/zinc/36/77/66/309367766.db2.gz GOHDOWDHSXZPFC-SJLPKXTDSA-N 2 2 326.440 3.336 20 0 EGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000422811865 309369730 /nfs/dbraw/zinc/36/97/30/309369730.db2.gz PTAWWMZQAZLCDY-FXAWDEMLSA-N 3 2 326.488 3.332 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000422824190 309370293 /nfs/dbraw/zinc/37/02/93/309370293.db2.gz GKQYGJFVVBHUEX-JSGCOSHPSA-N 2 2 346.393 3.257 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]1 ZINC000422827484 309370514 /nfs/dbraw/zinc/37/05/14/309370514.db2.gz NAPIHGHILBDIKO-VQIMIIECSA-N 2 2 334.467 3.315 20 0 EGADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1OC(F)F ZINC000422827950 309370594 /nfs/dbraw/zinc/37/05/94/309370594.db2.gz FMAGSQJTYMEXIJ-IPYPFGDCSA-N 2 2 328.403 3.096 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422839164 309371373 /nfs/dbraw/zinc/37/13/73/309371373.db2.gz PQNSXYDPEKCTNZ-SJORKVTESA-N 2 2 342.439 3.337 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422908869 309375560 /nfs/dbraw/zinc/37/55/60/309375560.db2.gz MZPXLBKDEOPNND-BPUTZDHNSA-N 2 2 337.895 3.048 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423017710 309381235 /nfs/dbraw/zinc/38/12/35/309381235.db2.gz PKLGTCOOBSILDW-VZAMPYOESA-N 2 2 341.293 3.255 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423030808 309381994 /nfs/dbraw/zinc/38/19/94/309381994.db2.gz WIWCHEIEKRCLOE-NOSGZIGASA-N 3 2 327.875 3.187 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423030808 309381995 /nfs/dbraw/zinc/38/19/95/309381995.db2.gz WIWCHEIEKRCLOE-NOSGZIGASA-N 3 2 327.875 3.187 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423030804 309382118 /nfs/dbraw/zinc/38/21/18/309382118.db2.gz WIWCHEIEKRCLOE-DIGLBZAJSA-N 3 2 327.875 3.187 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423030804 309382119 /nfs/dbraw/zinc/38/21/19/309382119.db2.gz WIWCHEIEKRCLOE-DIGLBZAJSA-N 3 2 327.875 3.187 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423061398 309383838 /nfs/dbraw/zinc/38/38/38/309383838.db2.gz KQBMTERKCNPTEQ-CZUORRHYSA-N 2 2 342.874 3.275 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085472 309385243 /nfs/dbraw/zinc/38/52/43/309385243.db2.gz KQKGCZYBHUOKOK-TYCQWZJGSA-N 2 2 349.478 3.000 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2cccc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000423087367 309385297 /nfs/dbraw/zinc/38/52/97/309385297.db2.gz PHXSFJOTKWGFJR-WOJBJXKFSA-N 2 2 325.456 3.024 20 0 EGADLP [NH3+]CC[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000423181191 309389416 /nfs/dbraw/zinc/38/94/16/309389416.db2.gz JBXVTLHBEGHZOU-LBPRGKRZSA-N 2 2 348.082 3.137 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ncc(Br)s1 ZINC000423259918 309392842 /nfs/dbraw/zinc/39/28/42/309392842.db2.gz GBMWWCXJGLTNDB-GXSJLCMTSA-N 2 2 332.311 3.464 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423270141 309393312 /nfs/dbraw/zinc/39/33/12/309393312.db2.gz GDQJEOKRWYKCCQ-KRWDZBQOSA-N 2 2 331.504 3.330 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423332492 309395451 /nfs/dbraw/zinc/39/54/51/309395451.db2.gz NMIXLOAFZMKSGH-OAHLLOKOSA-N 2 2 349.475 3.152 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423335208 309395824 /nfs/dbraw/zinc/39/58/24/309395824.db2.gz PRQSGEYHQDMXOP-YSSFQJQWSA-N 2 2 339.483 3.449 20 0 EGADLP [NH3+][C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cscn1 ZINC000423359898 309397013 /nfs/dbraw/zinc/39/70/13/309397013.db2.gz PVPOJQLSKHSGTB-KRWDZBQOSA-N 2 2 344.484 3.158 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cnn(Cc2ccccc2)c1 ZINC000423392352 309398315 /nfs/dbraw/zinc/39/83/15/309398315.db2.gz QFLWXZAHOUWLFD-LPHOPBHVSA-N 2 2 326.488 3.360 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CCC[NH2+]1 ZINC000423443126 309400649 /nfs/dbraw/zinc/40/06/49/309400649.db2.gz WWDACLUVZVKZDH-SWLSCSKDSA-N 2 2 332.366 3.004 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423481751 309402027 /nfs/dbraw/zinc/40/20/27/309402027.db2.gz QQUBWOQHHTVOCW-UWVGGRQHSA-N 2 2 336.694 3.201 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000423517544 309404342 /nfs/dbraw/zinc/40/43/42/309404342.db2.gz YYWRWMUAAYCEDA-HTWSVDAQSA-N 2 2 328.460 3.256 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)nnn1-c1cccc(Cl)c1 ZINC000423533959 309405493 /nfs/dbraw/zinc/40/54/93/309405493.db2.gz UWRCIBUBPTYPFF-SJCJKPOMSA-N 2 2 347.894 3.397 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000428667445 309558199 /nfs/dbraw/zinc/55/81/99/309558199.db2.gz VXMIIBZBEDOBTM-UHFFFAOYSA-N 2 2 344.507 3.342 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H]1C[NH3+] ZINC000429186434 309573344 /nfs/dbraw/zinc/57/33/44/309573344.db2.gz XIGOWYRCXDSPQU-KDOFPFPSSA-N 2 2 325.412 3.073 20 0 EGADLP [NH3+]C1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000430613162 309613035 /nfs/dbraw/zinc/61/30/35/309613035.db2.gz VFEATUONCOTTCD-UHFFFAOYSA-N 2 2 336.233 3.027 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440817685 309856938 /nfs/dbraw/zinc/85/69/38/309856938.db2.gz HMCPPJLGJLPYEX-UHFFFAOYSA-N 2 2 337.349 3.267 20 0 EGADLP Cn1c(NC[C@@H](c2cccs2)[NH+]2CCCC2)[nH+]c2cccc(F)c21 ZINC000443403996 309900243 /nfs/dbraw/zinc/90/02/43/309900243.db2.gz DFMVMMCVFIJUDG-HNNXBMFYSA-N 2 2 344.459 3.445 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Br)cc1Cl ZINC000446817271 309968540 /nfs/dbraw/zinc/96/85/40/309968540.db2.gz HITIDIYYQUHXSJ-FZMZJTMJSA-N 2 2 349.700 3.066 20 0 EGADLP Cc1[nH+]ccn1CCCN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552339 310006117 /nfs/dbraw/zinc/00/61/17/310006117.db2.gz VARDPVJHWXJZBD-GOSISDBHSA-N 2 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552339 310006118 /nfs/dbraw/zinc/00/61/18/310006118.db2.gz VARDPVJHWXJZBD-GOSISDBHSA-N 2 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552339 310006119 /nfs/dbraw/zinc/00/61/19/310006119.db2.gz VARDPVJHWXJZBD-GOSISDBHSA-N 2 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552339 310006120 /nfs/dbraw/zinc/00/61/20/310006120.db2.gz VARDPVJHWXJZBD-GOSISDBHSA-N 2 2 326.488 3.036 20 0 EGADLP CC(C)[C@@H](C[NH2+]Cc1ccncc1F)[N@@H+]1CCc2ccccc2C1 ZINC000449069385 310034501 /nfs/dbraw/zinc/03/45/01/310034501.db2.gz GELSSRFQOLNHOT-HXUWFJFHSA-N 2 2 327.447 3.393 20 0 EGADLP CC(C)[C@@H](C[NH2+]Cc1ccncc1F)[N@H+]1CCc2ccccc2C1 ZINC000449069385 310034502 /nfs/dbraw/zinc/03/45/02/310034502.db2.gz GELSSRFQOLNHOT-HXUWFJFHSA-N 2 2 327.447 3.393 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449112272 310038062 /nfs/dbraw/zinc/03/80/62/310038062.db2.gz QFFSMBPGWIOOGN-QZTJIDSGSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449112272 310038063 /nfs/dbraw/zinc/03/80/63/310038063.db2.gz QFFSMBPGWIOOGN-QZTJIDSGSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)CCOCC1)c1ccccc1 ZINC000449153105 310040836 /nfs/dbraw/zinc/04/08/36/310040836.db2.gz CDXIGDIWYBIRQG-MTNOOBJLSA-N 2 2 332.488 3.042 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449211255 310044887 /nfs/dbraw/zinc/04/48/87/310044887.db2.gz RTIRELMVMRVIEO-LPHOPBHVSA-N 2 2 329.488 3.298 20 0 EGADLP Brc1cccc2c(C[NH2+]CC[NH+]3CCCC3)ccnc12 ZINC000449223677 310045759 /nfs/dbraw/zinc/04/57/59/310045759.db2.gz YDWLAJDMNDXLKR-UHFFFAOYSA-N 2 2 334.261 3.183 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449286525 310050363 /nfs/dbraw/zinc/05/03/63/310050363.db2.gz UTFWLMJZJYNFPU-GOSISDBHSA-N 2 2 334.504 3.312 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449286525 310050364 /nfs/dbraw/zinc/05/03/64/310050364.db2.gz UTFWLMJZJYNFPU-GOSISDBHSA-N 2 2 334.504 3.312 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2COc2ccccc2)s1 ZINC000449447236 310062814 /nfs/dbraw/zinc/06/28/14/310062814.db2.gz XIPFCLJMTITSCG-HNNXBMFYSA-N 2 2 331.485 3.248 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2COc2ccccc2)s1 ZINC000449447236 310062815 /nfs/dbraw/zinc/06/28/15/310062815.db2.gz XIPFCLJMTITSCG-HNNXBMFYSA-N 2 2 331.485 3.248 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000449522756 310068880 /nfs/dbraw/zinc/06/88/80/310068880.db2.gz KFRLHYBMUFAADQ-YWZLYKJASA-N 2 2 329.488 3.388 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000449641985 310076875 /nfs/dbraw/zinc/07/68/75/310076875.db2.gz FNILGYVQDPNXAM-GOEBONIOSA-N 2 2 325.412 3.121 20 0 EGADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000449714880 310082171 /nfs/dbraw/zinc/08/21/71/310082171.db2.gz AIXWHMMXTKVKGZ-OCCSQVGLSA-N 2 2 345.830 3.385 20 0 EGADLP C[N@H+](Cc1cccc2c1OCO2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786333 310087180 /nfs/dbraw/zinc/08/71/80/310087180.db2.gz NAXUMPGJCPUWID-UHFFFAOYSA-N 2 2 344.377 3.264 20 0 EGADLP C[N@@H+](Cc1cccc2c1OCO2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786333 310087181 /nfs/dbraw/zinc/08/71/81/310087181.db2.gz NAXUMPGJCPUWID-UHFFFAOYSA-N 2 2 344.377 3.264 20 0 EGADLP Fc1cc2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2cc1Cl ZINC000450356322 310117600 /nfs/dbraw/zinc/11/76/00/310117600.db2.gz VNZDNULDNHMXRA-CYBMUJFWSA-N 2 2 349.837 3.186 20 0 EGADLP C[C@@H](c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1)C(F)(F)F ZINC000450369957 310118359 /nfs/dbraw/zinc/11/83/59/310118359.db2.gz UIZCVZFNKKGFJY-AWEZNQCLSA-N 2 2 344.421 3.241 20 0 EGADLP C[C@@H](c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1)C(F)(F)F ZINC000450369957 310118360 /nfs/dbraw/zinc/11/83/60/310118360.db2.gz UIZCVZFNKKGFJY-AWEZNQCLSA-N 2 2 344.421 3.241 20 0 EGADLP Nc1ncccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458894 310123910 /nfs/dbraw/zinc/12/39/10/310123910.db2.gz ZDBAVPMTPRGCLP-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ncccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458894 310123911 /nfs/dbraw/zinc/12/39/11/310123911.db2.gz ZDBAVPMTPRGCLP-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450458894 310123912 /nfs/dbraw/zinc/12/39/12/310123912.db2.gz ZDBAVPMTPRGCLP-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450458894 310123913 /nfs/dbraw/zinc/12/39/13/310123913.db2.gz ZDBAVPMTPRGCLP-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000450603072 310132608 /nfs/dbraw/zinc/13/26/08/310132608.db2.gz SJDGHWPHYTYBFT-QGPMSJSTSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Cl ZINC000450603072 310132609 /nfs/dbraw/zinc/13/26/09/310132609.db2.gz SJDGHWPHYTYBFT-QGPMSJSTSA-N 2 2 338.879 3.032 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450730343 310139867 /nfs/dbraw/zinc/13/98/67/310139867.db2.gz WCIRDTDOOYVWGW-UONOGXRCSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730343 310139868 /nfs/dbraw/zinc/13/98/68/310139868.db2.gz WCIRDTDOOYVWGW-UONOGXRCSA-N 2 2 344.425 3.188 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451697901 310192855 /nfs/dbraw/zinc/19/28/55/310192855.db2.gz IVADLDQVYMISFM-YVWKXTFCSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451697901 310192856 /nfs/dbraw/zinc/19/28/56/310192856.db2.gz IVADLDQVYMISFM-YVWKXTFCSA-N 2 2 325.456 3.164 20 0 EGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776552 310196719 /nfs/dbraw/zinc/19/67/19/310196719.db2.gz AOPWWNYMRDHHOY-PMACEKPBSA-N 2 2 348.531 3.006 20 0 EGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776552 310196720 /nfs/dbraw/zinc/19/67/20/310196720.db2.gz AOPWWNYMRDHHOY-PMACEKPBSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776552 310196721 /nfs/dbraw/zinc/19/67/21/310196721.db2.gz AOPWWNYMRDHHOY-PMACEKPBSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776552 310196722 /nfs/dbraw/zinc/19/67/22/310196722.db2.gz AOPWWNYMRDHHOY-PMACEKPBSA-N 2 2 348.531 3.006 20 0 EGADLP C[N@H+](CC[NH2+]C1(Cc2ccccc2)CCOCC1)Cc1ccccc1 ZINC000451944266 310204530 /nfs/dbraw/zinc/20/45/30/310204530.db2.gz NRPXJHHKGTULFF-UHFFFAOYSA-N 2 2 338.495 3.500 20 0 EGADLP C[N@@H+](CC[NH2+]C1(Cc2ccccc2)CCOCC1)Cc1ccccc1 ZINC000451944266 310204531 /nfs/dbraw/zinc/20/45/31/310204531.db2.gz NRPXJHHKGTULFF-UHFFFAOYSA-N 2 2 338.495 3.500 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)sc1Br ZINC000453274368 310268626 /nfs/dbraw/zinc/26/86/26/310268626.db2.gz XIHBGIUCZVJDPH-TUAOUCFPSA-N 2 2 344.322 3.176 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)sc1Br ZINC000453274368 310268627 /nfs/dbraw/zinc/26/86/27/310268627.db2.gz XIHBGIUCZVJDPH-TUAOUCFPSA-N 2 2 344.322 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453059352 310254959 /nfs/dbraw/zinc/25/49/59/310254959.db2.gz KXFVIFUPWAXKHG-QGZVFWFLSA-N 2 2 343.862 3.348 20 0 EGADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1 ZINC000453171386 310262212 /nfs/dbraw/zinc/26/22/12/310262212.db2.gz JFIVCPAPFLYWGZ-MSOLQXFVSA-N 2 2 325.460 3.180 20 0 EGADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@@H](C)Cc2cnccn2)[NH+](C)C)cc1 ZINC000453212109 310264316 /nfs/dbraw/zinc/26/43/16/310264316.db2.gz BVJASQVPTZAPSQ-LAUBAEHRSA-N 2 2 340.515 3.499 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254206 310267053 /nfs/dbraw/zinc/26/70/53/310267053.db2.gz DHCZPNMGPMKAFY-UTKZUKDTSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254206 310267054 /nfs/dbraw/zinc/26/70/54/310267054.db2.gz DHCZPNMGPMKAFY-UTKZUKDTSA-N 2 2 339.483 3.246 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CCCC1 ZINC000453259296 310267542 /nfs/dbraw/zinc/26/75/42/310267542.db2.gz IDBOHWOQNLAAGZ-GHTZIAJQSA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CCCC1 ZINC000453259296 310267543 /nfs/dbraw/zinc/26/75/43/310267543.db2.gz IDBOHWOQNLAAGZ-GHTZIAJQSA-N 2 2 346.515 3.363 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263528 310267849 /nfs/dbraw/zinc/26/78/49/310267849.db2.gz UFVGSKAEHAXSQR-DOTOQJQBSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263528 310267850 /nfs/dbraw/zinc/26/78/50/310267850.db2.gz UFVGSKAEHAXSQR-DOTOQJQBSA-N 2 2 342.430 3.176 20 0 EGADLP c1cncc(C[NH+]2CCC([N@@H+]3CCC[C@]4(CCSC4)C3)CC2)c1 ZINC000453343030 310271980 /nfs/dbraw/zinc/27/19/80/310271980.db2.gz DEEXKAGHWIQXAO-IBGZPJMESA-N 2 2 331.529 3.265 20 0 EGADLP c1cncc(C[NH+]2CCC([N@H+]3CCC[C@]4(CCSC4)C3)CC2)c1 ZINC000453343030 310271981 /nfs/dbraw/zinc/27/19/81/310271981.db2.gz DEEXKAGHWIQXAO-IBGZPJMESA-N 2 2 331.529 3.265 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)C1CCCCC1 ZINC000462930677 310607591 /nfs/dbraw/zinc/60/75/91/310607591.db2.gz SIYNJPXXXAZWPD-KRWDZBQOSA-N 2 2 331.508 3.389 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000479080046 310868552 /nfs/dbraw/zinc/86/85/52/310868552.db2.gz NEIQQMIVQXZKMP-LPHOPBHVSA-N 2 2 340.458 3.344 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000482231510 310928873 /nfs/dbraw/zinc/92/88/73/310928873.db2.gz NYNOPXYZJQXWFP-CQSZACIVSA-N 2 2 338.879 3.481 20 0 EGADLP CCCc1csc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000494375269 311473347 /nfs/dbraw/zinc/47/33/47/311473347.db2.gz DJZJKUOXZFDNML-UHFFFAOYSA-N 2 2 345.512 3.218 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)n1C ZINC000497271096 311847553 /nfs/dbraw/zinc/84/75/53/311847553.db2.gz XKVLQEQOWVRPFD-QGZVFWFLSA-N 2 2 344.459 3.084 20 0 EGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000504575687 312008169 /nfs/dbraw/zinc/00/81/69/312008169.db2.gz QJEDFCYXBQVIAK-IRXDYDNUSA-N 2 2 336.907 3.488 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000504575687 312008170 /nfs/dbraw/zinc/00/81/70/312008170.db2.gz QJEDFCYXBQVIAK-IRXDYDNUSA-N 2 2 336.907 3.488 20 0 EGADLP CC(C)(C)c1cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000506056550 312041492 /nfs/dbraw/zinc/04/14/92/312041492.db2.gz NHZITGRPDMNGHI-UHFFFAOYSA-N 2 2 349.519 3.297 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471591 312049685 /nfs/dbraw/zinc/04/96/85/312049685.db2.gz DNLBNVWEGLOVRO-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471591 312049686 /nfs/dbraw/zinc/04/96/86/312049686.db2.gz DNLBNVWEGLOVRO-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471591 312049687 /nfs/dbraw/zinc/04/96/87/312049687.db2.gz DNLBNVWEGLOVRO-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471591 312049688 /nfs/dbraw/zinc/04/96/88/312049688.db2.gz DNLBNVWEGLOVRO-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP C[NH+](C)C1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCCCC1 ZINC000507504684 312075666 /nfs/dbraw/zinc/07/56/66/312075666.db2.gz CAXGWAMTASZWNC-UHFFFAOYSA-N 2 2 335.458 3.257 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000512307602 312182615 /nfs/dbraw/zinc/18/26/15/312182615.db2.gz BAZXIHJNKNHNPA-YZGWKJHDSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000512307602 312182617 /nfs/dbraw/zinc/18/26/17/312182617.db2.gz BAZXIHJNKNHNPA-YZGWKJHDSA-N 2 2 349.563 3.077 20 0 EGADLP CCCC[NH+]1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000513045636 312200160 /nfs/dbraw/zinc/20/01/60/312200160.db2.gz FQMWLXBPQYGIES-UHFFFAOYSA-N 3 2 335.458 3.257 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000514004049 312221749 /nfs/dbraw/zinc/22/17/49/312221749.db2.gz ZRVCXZCKLURRQO-QGZVFWFLSA-N 2 2 325.541 3.122 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000514004049 312221751 /nfs/dbraw/zinc/22/17/51/312221751.db2.gz ZRVCXZCKLURRQO-QGZVFWFLSA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+](CC)[C@@H](CNCc1[nH]c(C)c(C)[nH+]1)c1cccc(OC)c1 ZINC000515673295 312294264 /nfs/dbraw/zinc/29/42/64/312294264.db2.gz TZWXOPBDABTTEK-SFHVURJKSA-N 2 2 330.476 3.208 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000515996675 312304723 /nfs/dbraw/zinc/30/47/23/312304723.db2.gz DWVJZQHGKMCBJC-OAHLLOKOSA-N 2 2 347.507 3.060 20 0 EGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc3ccoc32)nc[nH+]1 ZINC000517071229 312362257 /nfs/dbraw/zinc/36/22/57/312362257.db2.gz CFGBJRSBITUFRH-INIZCTEOSA-N 2 2 337.427 3.023 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000527520188 312874154 /nfs/dbraw/zinc/87/41/54/312874154.db2.gz HECJSQQQUAWPPM-HZPDHXFCSA-N 2 2 331.460 3.462 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000528388760 313081429 /nfs/dbraw/zinc/08/14/29/313081429.db2.gz QSIXNRAUEXYBQS-IEBWSBKVSA-N 2 2 343.446 3.212 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000528388760 313081433 /nfs/dbraw/zinc/08/14/33/313081433.db2.gz QSIXNRAUEXYBQS-IEBWSBKVSA-N 2 2 343.446 3.212 20 0 EGADLP CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426048 313090885 /nfs/dbraw/zinc/09/08/85/313090885.db2.gz STYZSSXLJGADOK-PWIZWCRZSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426048 313090886 /nfs/dbraw/zinc/09/08/86/313090886.db2.gz STYZSSXLJGADOK-PWIZWCRZSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426048 313090889 /nfs/dbraw/zinc/09/08/89/313090889.db2.gz STYZSSXLJGADOK-PWIZWCRZSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426048 313090891 /nfs/dbraw/zinc/09/08/91/313090891.db2.gz STYZSSXLJGADOK-PWIZWCRZSA-N 2 2 332.463 3.462 20 0 EGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727349 313157203 /nfs/dbraw/zinc/15/72/03/313157203.db2.gz CHYUBVXILUVUHV-UHFFFAOYSA-N 2 2 331.504 3.200 20 0 EGADLP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774300 313170011 /nfs/dbraw/zinc/17/00/11/313170011.db2.gz UMZAIEMRGKFODR-WMZOPIPTSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774300 313170015 /nfs/dbraw/zinc/17/00/15/313170015.db2.gz UMZAIEMRGKFODR-WMZOPIPTSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@H]1CC(F)(F)CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000528774300 313170019 /nfs/dbraw/zinc/17/00/19/313170019.db2.gz UMZAIEMRGKFODR-WMZOPIPTSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@H]1CC(F)(F)CC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000528774300 313170021 /nfs/dbraw/zinc/17/00/21/313170021.db2.gz UMZAIEMRGKFODR-WMZOPIPTSA-N 2 2 338.442 3.397 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000536069083 314092492 /nfs/dbraw/zinc/09/24/92/314092492.db2.gz SPCTTZLLZKGCNR-LBPRGKRZSA-N 2 2 331.370 3.154 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000536069083 314092495 /nfs/dbraw/zinc/09/24/95/314092495.db2.gz SPCTTZLLZKGCNR-LBPRGKRZSA-N 2 2 331.370 3.154 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O[C@H](C)C2 ZINC000536659804 314136979 /nfs/dbraw/zinc/13/69/79/314136979.db2.gz ZJOIDDIBJFNCFK-VQIMIIECSA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O[C@H](C)C2 ZINC000536659804 314136980 /nfs/dbraw/zinc/13/69/80/314136980.db2.gz ZJOIDDIBJFNCFK-VQIMIIECSA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)O[C@H](C)C2 ZINC000536678533 314138211 /nfs/dbraw/zinc/13/82/11/314138211.db2.gz CALXDVHZJXOMJC-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)O[C@H](C)C2 ZINC000536678533 314138214 /nfs/dbraw/zinc/13/82/14/314138214.db2.gz CALXDVHZJXOMJC-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)O[C@H](C)C2 ZINC000536678533 314138215 /nfs/dbraw/zinc/13/82/15/314138215.db2.gz CALXDVHZJXOMJC-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)O[C@H](C)C2 ZINC000536678533 314138218 /nfs/dbraw/zinc/13/82/18/314138218.db2.gz CALXDVHZJXOMJC-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536854000 314149803 /nfs/dbraw/zinc/14/98/03/314149803.db2.gz WSYZYHVVUDLKCV-KXBFYZLASA-N 2 2 348.918 3.461 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536854000 314149805 /nfs/dbraw/zinc/14/98/05/314149805.db2.gz WSYZYHVVUDLKCV-KXBFYZLASA-N 2 2 348.918 3.461 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000536859876 314150565 /nfs/dbraw/zinc/15/05/65/314150565.db2.gz VTZOYFPYGCLGCI-WBMJQRKESA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000536859876 314150569 /nfs/dbraw/zinc/15/05/69/314150569.db2.gz VTZOYFPYGCLGCI-WBMJQRKESA-N 2 2 341.293 3.278 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063241 314225483 /nfs/dbraw/zinc/22/54/83/314225483.db2.gz SZRRIPGDCBXWNE-WOJBJXKFSA-N 2 2 334.504 3.339 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063241 314225487 /nfs/dbraw/zinc/22/54/87/314225487.db2.gz SZRRIPGDCBXWNE-WOJBJXKFSA-N 2 2 334.504 3.339 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063236 314225636 /nfs/dbraw/zinc/22/56/36/314225636.db2.gz SZRRIPGDCBXWNE-PMACEKPBSA-N 2 2 334.504 3.339 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063236 314225639 /nfs/dbraw/zinc/22/56/39/314225639.db2.gz SZRRIPGDCBXWNE-PMACEKPBSA-N 2 2 334.504 3.339 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1)CC(C)C ZINC000539125129 314298086 /nfs/dbraw/zinc/29/80/86/314298086.db2.gz AHXMAMYGGYQPQQ-UHFFFAOYSA-N 2 2 346.519 3.424 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1)CC(C)C ZINC000539125129 314298089 /nfs/dbraw/zinc/29/80/89/314298089.db2.gz AHXMAMYGGYQPQQ-UHFFFAOYSA-N 2 2 346.519 3.424 20 0 EGADLP CC1CCC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000539708304 314330107 /nfs/dbraw/zinc/33/01/07/314330107.db2.gz OESJKMOHBHBKEB-UHFFFAOYSA-N 2 2 342.487 3.428 20 0 EGADLP C[NH+](C)CCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000550200869 315120261 /nfs/dbraw/zinc/12/02/61/315120261.db2.gz XWJAMOHUKDIOKA-UHFFFAOYSA-N 2 2 338.455 3.272 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)c(C)c1OC ZINC000552049929 315193418 /nfs/dbraw/zinc/19/34/18/315193418.db2.gz JRESQSZWYBAFLB-CVEARBPZSA-N 2 2 334.504 3.265 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)c(C)c1OC ZINC000552049929 315193419 /nfs/dbraw/zinc/19/34/19/315193419.db2.gz JRESQSZWYBAFLB-CVEARBPZSA-N 2 2 334.504 3.265 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000554697560 315343792 /nfs/dbraw/zinc/34/37/92/315343792.db2.gz WSYOUMDKGHXEGU-GOSISDBHSA-N 2 2 344.528 3.000 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000564329690 316137929 /nfs/dbraw/zinc/13/79/29/316137929.db2.gz DFAXZYMNEWRBFG-IEBWSBKVSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000564329690 316137936 /nfs/dbraw/zinc/13/79/36/316137936.db2.gz DFAXZYMNEWRBFG-IEBWSBKVSA-N 2 2 329.488 3.272 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000564458733 316155899 /nfs/dbraw/zinc/15/58/99/316155899.db2.gz TZGDYILALWDEAV-HOCLYGCPSA-N 2 2 334.489 3.095 20 0 EGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000564668002 316185697 /nfs/dbraw/zinc/18/56/97/316185697.db2.gz OUYQSZPPPYZDJL-QGZVFWFLSA-N 2 2 332.419 3.259 20 0 EGADLP Fc1ccc2oc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000564668002 316185702 /nfs/dbraw/zinc/18/57/02/316185702.db2.gz OUYQSZPPPYZDJL-QGZVFWFLSA-N 2 2 332.419 3.259 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667678 316185920 /nfs/dbraw/zinc/18/59/20/316185920.db2.gz WBRSKXYYJJNUDS-MFKMUULPSA-N 2 2 340.349 3.067 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667678 316185923 /nfs/dbraw/zinc/18/59/23/316185923.db2.gz WBRSKXYYJJNUDS-MFKMUULPSA-N 2 2 340.349 3.067 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000564844809 316216190 /nfs/dbraw/zinc/21/61/90/316216190.db2.gz QEPVHEPXBVTBME-LAUBAEHRSA-N 2 2 335.451 3.186 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H](O)COCC(C)C)ccc2n1C1CC1 ZINC000565712395 316360147 /nfs/dbraw/zinc/36/01/47/316360147.db2.gz VEFQEXYONDUGEC-QGZVFWFLSA-N 2 2 345.487 3.057 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]1 ZINC000565880179 316382853 /nfs/dbraw/zinc/38/28/53/316382853.db2.gz LEMHJMMYDDYVLM-SMDDNHRTSA-N 2 2 349.276 3.069 20 0 EGADLP Cc1noc(C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc2)n1 ZINC000567640032 316648723 /nfs/dbraw/zinc/64/87/23/316648723.db2.gz ZXGYMEWKFHGHEQ-FHWLQOOXSA-N 2 2 334.423 3.396 20 0 EGADLP Cc1[nH]c(CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)[nH+]c1C ZINC000569239720 316886719 /nfs/dbraw/zinc/88/67/19/316886719.db2.gz ZPTNIWAJSMJGCS-UHFFFAOYSA-N 2 2 327.476 3.169 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)ccn12 ZINC000569743736 316956922 /nfs/dbraw/zinc/95/69/22/316956922.db2.gz MONXDNRUEJXHNC-SFHVURJKSA-N 2 2 334.423 3.444 20 0 EGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569822824 316969638 /nfs/dbraw/zinc/96/96/38/316969638.db2.gz UWZHMNQQABBZHX-OAHLLOKOSA-N 2 2 349.276 3.446 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000571132403 317153977 /nfs/dbraw/zinc/15/39/77/317153977.db2.gz FRVSHSDTQKQWSS-OAHLLOKOSA-N 2 2 327.476 3.055 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000571132403 317153980 /nfs/dbraw/zinc/15/39/80/317153980.db2.gz FRVSHSDTQKQWSS-OAHLLOKOSA-N 2 2 327.476 3.055 20 0 EGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000571312766 317182554 /nfs/dbraw/zinc/18/25/54/317182554.db2.gz AAYORDDFEYJVQV-SPYBWZPUSA-N 2 2 338.455 3.125 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)[nH]c2c1 ZINC000571753122 317242022 /nfs/dbraw/zinc/24/20/22/317242022.db2.gz ZTCZHJVDNRIICK-GHTZIAJQSA-N 2 2 348.450 3.217 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)n2c1 ZINC000572296809 317317303 /nfs/dbraw/zinc/31/73/03/317317303.db2.gz UYEYRZOZGCMNGM-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)n2c1 ZINC000572296809 317317306 /nfs/dbraw/zinc/31/73/06/317317306.db2.gz UYEYRZOZGCMNGM-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP COc1cc(F)c(C[NH2+]CCCCNc2cccc[nH+]2)cc1OC ZINC000572651115 317370339 /nfs/dbraw/zinc/37/03/39/317370339.db2.gz MTGYPEPYDDTHNN-UHFFFAOYSA-N 2 2 333.407 3.220 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178147050 323351690 /nfs/dbraw/zinc/35/16/90/323351690.db2.gz JNDRWWYKPGRMTP-MRXNPFEDSA-N 2 2 338.455 3.465 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178147050 323351695 /nfs/dbraw/zinc/35/16/95/323351695.db2.gz JNDRWWYKPGRMTP-MRXNPFEDSA-N 2 2 338.455 3.465 20 0 EGADLP COC[C@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000188011180 323757891 /nfs/dbraw/zinc/75/78/91/323757891.db2.gz QUFLNJZRIPWDEV-APWZRJJASA-N 2 2 334.504 3.147 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000576576705 324641387 /nfs/dbraw/zinc/64/13/87/324641387.db2.gz KJCTVLKAPSRLAP-GGPKGHCWSA-N 2 2 347.478 3.033 20 0 EGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000578981249 325045149 /nfs/dbraw/zinc/04/51/49/325045149.db2.gz IVUGHORYNYTFTK-YESZJQIVSA-N 2 2 347.528 3.278 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@H]([NH3+])Cc3ccccc3)cc2[nH+]c1C1CC1 ZINC000580552405 325266491 /nfs/dbraw/zinc/26/64/91/325266491.db2.gz RTEPGZPYNXCUOQ-MRXNPFEDSA-N 2 2 348.450 3.349 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3[NH2+]CCc4ccccc43)CC2)n1 ZINC000580939887 325311799 /nfs/dbraw/zinc/31/17/99/325311799.db2.gz YEHBQGWKCBTFIX-LEOMRAHMSA-N 2 2 340.471 3.135 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1C ZINC000581440384 325362075 /nfs/dbraw/zinc/36/20/75/325362075.db2.gz FSTWFOFHMQQWDU-MRXNPFEDSA-N 3 2 326.488 3.250 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1C ZINC000581440384 325362076 /nfs/dbraw/zinc/36/20/76/325362076.db2.gz FSTWFOFHMQQWDU-MRXNPFEDSA-N 3 2 326.488 3.250 20 0 EGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000581551095 325371213 /nfs/dbraw/zinc/37/12/13/325371213.db2.gz AUGRDOGIFLPELO-DLBZAZTESA-N 2 2 327.497 3.414 20 0 EGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000581551095 325371215 /nfs/dbraw/zinc/37/12/15/325371215.db2.gz AUGRDOGIFLPELO-DLBZAZTESA-N 2 2 327.497 3.414 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000582628552 325456826 /nfs/dbraw/zinc/45/68/26/325456826.db2.gz ZFPUPTPGVRUOQT-LBPRGKRZSA-N 2 2 331.273 3.451 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000300422058 456783811 /nfs/dbraw/zinc/78/38/11/456783811.db2.gz LDNRLZGOCRGLHL-CZUORRHYSA-N 2 2 325.294 3.454 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000300422058 456783819 /nfs/dbraw/zinc/78/38/19/456783819.db2.gz LDNRLZGOCRGLHL-CZUORRHYSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653616 457094221 /nfs/dbraw/zinc/09/42/21/457094221.db2.gz DUSGYZHWHIIZAJ-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653616 457094222 /nfs/dbraw/zinc/09/42/22/457094222.db2.gz DUSGYZHWHIIZAJ-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750924 455238536 /nfs/dbraw/zinc/23/85/36/455238536.db2.gz BAHUKKAWOVEGBE-CABCVRRESA-N 2 2 330.501 3.189 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750924 455238539 /nfs/dbraw/zinc/23/85/39/455238539.db2.gz BAHUKKAWOVEGBE-CABCVRRESA-N 2 2 330.501 3.189 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750924 455238543 /nfs/dbraw/zinc/23/85/43/455238543.db2.gz BAHUKKAWOVEGBE-CABCVRRESA-N 2 2 330.501 3.189 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CC[C@@H]21 ZINC000180750924 455238544 /nfs/dbraw/zinc/23/85/44/455238544.db2.gz BAHUKKAWOVEGBE-CABCVRRESA-N 2 2 330.501 3.189 20 0 EGADLP OCCC[N@H+](Cc1cccc(Cl)c1)Cc1cccc2[nH+]ccn21 ZINC000180762366 455240761 /nfs/dbraw/zinc/24/07/61/455240761.db2.gz MNHLOVWTUGCLNO-UHFFFAOYSA-N 2 2 329.831 3.372 20 0 EGADLP OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1cccc2[nH+]ccn21 ZINC000180762366 455240764 /nfs/dbraw/zinc/24/07/64/455240764.db2.gz MNHLOVWTUGCLNO-UHFFFAOYSA-N 2 2 329.831 3.372 20 0 EGADLP C[C@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCCC[NH2+]1 ZINC000180978143 455271713 /nfs/dbraw/zinc/27/17/13/455271713.db2.gz JGVZWHGWFONNFL-LJQANCHMSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000241644302 455268859 /nfs/dbraw/zinc/26/88/59/455268859.db2.gz PPUWRRNMLJBLJU-MISYRCLQSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000241644302 455268862 /nfs/dbraw/zinc/26/88/62/455268862.db2.gz PPUWRRNMLJBLJU-MISYRCLQSA-N 2 2 344.499 3.172 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000245449531 455304741 /nfs/dbraw/zinc/30/47/41/455304741.db2.gz NUVNGWOATPAJEN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000245449531 455304747 /nfs/dbraw/zinc/30/47/47/455304747.db2.gz NUVNGWOATPAJEN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000245449531 455304750 /nfs/dbraw/zinc/30/47/50/455304750.db2.gz NUVNGWOATPAJEN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000245449531 455304756 /nfs/dbraw/zinc/30/47/56/455304756.db2.gz NUVNGWOATPAJEN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnn(-c3ccccc3)c2)c[nH+]1 ZINC000030652183 453837309 /nfs/dbraw/zinc/83/73/09/453837309.db2.gz NTTYUSDJPXRKAK-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP COc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1OC ZINC000030651662 453837348 /nfs/dbraw/zinc/83/73/48/453837348.db2.gz XFPUXANJVHUHGK-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812134 455382145 /nfs/dbraw/zinc/38/21/45/455382145.db2.gz ZPGDTTCSVUFRKZ-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812134 455382150 /nfs/dbraw/zinc/38/21/50/455382150.db2.gz ZPGDTTCSVUFRKZ-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812134 455382153 /nfs/dbraw/zinc/38/21/53/455382153.db2.gz ZPGDTTCSVUFRKZ-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812134 455382158 /nfs/dbraw/zinc/38/21/58/455382158.db2.gz ZPGDTTCSVUFRKZ-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000076002289 453947782 /nfs/dbraw/zinc/94/77/82/453947782.db2.gz IPZQRYKKPZBHFY-ULQDDVLXSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000076002289 453947784 /nfs/dbraw/zinc/94/77/84/453947784.db2.gz IPZQRYKKPZBHFY-ULQDDVLXSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000076001265 453947859 /nfs/dbraw/zinc/94/78/59/453947859.db2.gz AHYUYMITJDJDTA-GOSISDBHSA-N 2 2 331.504 3.092 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000076001265 453947861 /nfs/dbraw/zinc/94/78/61/453947861.db2.gz AHYUYMITJDJDTA-GOSISDBHSA-N 2 2 331.504 3.092 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000085688046 454036690 /nfs/dbraw/zinc/03/66/90/454036690.db2.gz DEBPRLCFKYGXKL-KKSFZXQISA-N 2 2 348.450 3.331 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000085688046 454036692 /nfs/dbraw/zinc/03/66/92/454036692.db2.gz DEBPRLCFKYGXKL-KKSFZXQISA-N 2 2 348.450 3.331 20 0 EGADLP c1ccc(OCC[NH2+]C2CCN(c3cc[nH+]c4ccncc43)CC2)cc1 ZINC000085687663 454036731 /nfs/dbraw/zinc/03/67/31/454036731.db2.gz YTMFYZJOVPUXJH-UHFFFAOYSA-N 2 2 348.450 3.267 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000076898303 454046778 /nfs/dbraw/zinc/04/67/78/454046778.db2.gz QMNBIQOTBCSMGE-OAHLLOKOSA-N 2 2 332.419 3.286 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077174177 454070751 /nfs/dbraw/zinc/07/07/51/454070751.db2.gz PMILAYMPYSIUJN-INIZCTEOSA-N 2 2 337.458 3.129 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)CNc1cc(-n2cc[nH+]c2)ncn1)c1ccccc1 ZINC000077217157 454076930 /nfs/dbraw/zinc/07/69/30/454076930.db2.gz ASAYXWGLHDASNJ-OAHLLOKOSA-N 2 2 336.443 3.204 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000045135137 454141060 /nfs/dbraw/zinc/14/10/60/454141060.db2.gz UFIFSZDPRAYTEZ-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000045135137 454141064 /nfs/dbraw/zinc/14/10/64/454141064.db2.gz UFIFSZDPRAYTEZ-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803489 454146062 /nfs/dbraw/zinc/14/60/62/454146062.db2.gz CLPHFSHVJAGWBL-IBGZPJMESA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803489 454146063 /nfs/dbraw/zinc/14/60/63/454146063.db2.gz CLPHFSHVJAGWBL-IBGZPJMESA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000070396463 454168874 /nfs/dbraw/zinc/16/88/74/454168874.db2.gz QJVUDNUJDODHRC-UHFFFAOYSA-N 2 2 326.282 3.197 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1ccccc1 ZINC000089722679 454183690 /nfs/dbraw/zinc/18/36/90/454183690.db2.gz FTTHALUZNKOTRI-QGZVFWFLSA-N 2 2 325.456 3.103 20 0 EGADLP COc1cccc(CCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003912 454261061 /nfs/dbraw/zinc/26/10/61/454261061.db2.gz VNJZKALRYQDDDO-SFHVURJKSA-N 2 2 327.472 3.316 20 0 EGADLP COc1cccc(CCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003912 454261066 /nfs/dbraw/zinc/26/10/66/454261066.db2.gz VNJZKALRYQDDDO-SFHVURJKSA-N 2 2 327.472 3.316 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000090047505 454266914 /nfs/dbraw/zinc/26/69/14/454266914.db2.gz YOQQWNSTQMKNOX-RHSMWYFYSA-N 2 2 342.430 3.440 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047145 454267020 /nfs/dbraw/zinc/26/70/20/454267020.db2.gz GWULFDSUXFLADM-IEBWSBKVSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000131619538 454270052 /nfs/dbraw/zinc/27/00/52/454270052.db2.gz FXRQUEYVILMXER-CQSZACIVSA-N 2 2 332.879 3.389 20 0 EGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@H](C)O1 ZINC000060368488 454282396 /nfs/dbraw/zinc/28/23/96/454282396.db2.gz WJCKGZYZWQLPRJ-HOTGVXAUSA-N 2 2 349.519 3.293 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184700304 455431515 /nfs/dbraw/zinc/43/15/15/455431515.db2.gz ZGYWFEQNDMXUIE-UHFFFAOYSA-N 2 2 329.835 3.244 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184700304 455431519 /nfs/dbraw/zinc/43/15/19/455431519.db2.gz ZGYWFEQNDMXUIE-UHFFFAOYSA-N 2 2 329.835 3.244 20 0 EGADLP Brc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131869238 454292647 /nfs/dbraw/zinc/29/26/47/454292647.db2.gz IBZXQCNFRYHZBH-MRXNPFEDSA-N 2 2 333.229 3.497 20 0 EGADLP Brc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131869238 454292651 /nfs/dbraw/zinc/29/26/51/454292651.db2.gz IBZXQCNFRYHZBH-MRXNPFEDSA-N 2 2 333.229 3.497 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)CC1 ZINC000061069996 454327741 /nfs/dbraw/zinc/32/77/41/454327741.db2.gz PEPJLFJCOOGYFV-UHFFFAOYSA-N 2 2 347.890 3.360 20 0 EGADLP COc1cccc2c(N3CC[NH+](Cc4cccnc4)CC3)cc(C)[nH+]c12 ZINC000120768128 454343697 /nfs/dbraw/zinc/34/36/97/454343697.db2.gz PLUKATMCVPZXOI-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254487 454372586 /nfs/dbraw/zinc/37/25/86/454372586.db2.gz UYWFQEDEROPPRL-INIZCTEOSA-N 2 2 337.471 3.171 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO1 ZINC000072979382 454375504 /nfs/dbraw/zinc/37/55/04/454375504.db2.gz SGELPGHLQCRSFN-IBGZPJMESA-N 2 2 343.471 3.353 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCO1 ZINC000072979382 454375508 /nfs/dbraw/zinc/37/55/08/454375508.db2.gz SGELPGHLQCRSFN-IBGZPJMESA-N 2 2 343.471 3.353 20 0 EGADLP CC[N@@H+]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000091174933 454401540 /nfs/dbraw/zinc/40/15/40/454401540.db2.gz ZZTLHUADOKPCOM-UHFFFAOYSA-N 2 2 340.427 3.433 20 0 EGADLP CC[N@H+]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000091174933 454401544 /nfs/dbraw/zinc/40/15/44/454401544.db2.gz ZZTLHUADOKPCOM-UHFFFAOYSA-N 2 2 340.427 3.433 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000133647444 454450244 /nfs/dbraw/zinc/45/02/44/454450244.db2.gz CYRLCIZJGZTVNP-UHFFFAOYSA-N 2 2 345.487 3.168 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066084 454512610 /nfs/dbraw/zinc/51/26/10/454512610.db2.gz SVJKYHUASWYCCH-CRAIPNDOSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066084 454512615 /nfs/dbraw/zinc/51/26/15/454512615.db2.gz SVJKYHUASWYCCH-CRAIPNDOSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000092066084 454512617 /nfs/dbraw/zinc/51/26/17/454512617.db2.gz SVJKYHUASWYCCH-CRAIPNDOSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000092066084 454512621 /nfs/dbraw/zinc/51/26/21/454512621.db2.gz SVJKYHUASWYCCH-CRAIPNDOSA-N 2 2 348.560 3.438 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134920766 454609451 /nfs/dbraw/zinc/60/94/51/454609451.db2.gz SUUAJXHSLBOUQN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134920766 454609457 /nfs/dbraw/zinc/60/94/57/454609457.db2.gz SUUAJXHSLBOUQN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134920766 454609465 /nfs/dbraw/zinc/60/94/65/454609465.db2.gz SUUAJXHSLBOUQN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134920766 454609469 /nfs/dbraw/zinc/60/94/69/454609469.db2.gz SUUAJXHSLBOUQN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134937360 454612326 /nfs/dbraw/zinc/61/23/26/454612326.db2.gz VFKANLOSVYHDOS-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134937360 454612331 /nfs/dbraw/zinc/61/23/31/454612331.db2.gz VFKANLOSVYHDOS-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134937360 454612332 /nfs/dbraw/zinc/61/23/32/454612332.db2.gz VFKANLOSVYHDOS-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134937360 454612336 /nfs/dbraw/zinc/61/23/36/454612336.db2.gz VFKANLOSVYHDOS-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003660 454646001 /nfs/dbraw/zinc/64/60/01/454646001.db2.gz JHPGPKJYGLZAGF-FGTMMUONSA-N 2 2 335.536 3.115 20 0 EGADLP CSc1ccc(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123543016 454649720 /nfs/dbraw/zinc/64/97/20/454649720.db2.gz VACFYRTXNXOYGL-INIZCTEOSA-N 2 2 345.512 3.476 20 0 EGADLP CSc1ccc(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123543016 454649723 /nfs/dbraw/zinc/64/97/23/454649723.db2.gz VACFYRTXNXOYGL-INIZCTEOSA-N 2 2 345.512 3.476 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1C1CC1 ZINC000080961579 454658863 /nfs/dbraw/zinc/65/88/63/454658863.db2.gz OJKRQZQSXOEKPF-OAHLLOKOSA-N 2 2 326.444 3.225 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)n1C1CC1 ZINC000080961579 454658866 /nfs/dbraw/zinc/65/88/66/454658866.db2.gz OJKRQZQSXOEKPF-OAHLLOKOSA-N 2 2 326.444 3.225 20 0 EGADLP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017925 454670785 /nfs/dbraw/zinc/67/07/85/454670785.db2.gz PNDXVUONOKDIMD-LJQANCHMSA-N 2 2 344.499 3.020 20 0 EGADLP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017925 454670789 /nfs/dbraw/zinc/67/07/89/454670789.db2.gz PNDXVUONOKDIMD-LJQANCHMSA-N 2 2 344.499 3.020 20 0 EGADLP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017927 454671723 /nfs/dbraw/zinc/67/17/23/454671723.db2.gz PNDXVUONOKDIMD-IBGZPJMESA-N 2 2 344.499 3.020 20 0 EGADLP c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017927 454671728 /nfs/dbraw/zinc/67/17/28/454671728.db2.gz PNDXVUONOKDIMD-IBGZPJMESA-N 2 2 344.499 3.020 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)C1 ZINC000623626600 460647686 /nfs/dbraw/zinc/64/76/86/460647686.db2.gz ZRQJYDODKPKDTM-NJAFHUGGSA-N 2 2 337.458 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)C1 ZINC000623626600 460647693 /nfs/dbraw/zinc/64/76/93/460647693.db2.gz ZRQJYDODKPKDTM-NJAFHUGGSA-N 2 2 337.458 3.141 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC000106217742 454686290 /nfs/dbraw/zinc/68/62/90/454686290.db2.gz OTKVOHRCYHVANB-GOSISDBHSA-N 2 2 340.471 3.284 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(CC)c2)C1 ZINC000106217742 454686293 /nfs/dbraw/zinc/68/62/93/454686293.db2.gz OTKVOHRCYHVANB-GOSISDBHSA-N 2 2 340.471 3.284 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106558679 454701322 /nfs/dbraw/zinc/70/13/22/454701322.db2.gz UQEHPGRMSIOPRE-MRXNPFEDSA-N 2 2 335.496 3.158 20 0 EGADLP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000161610494 454707927 /nfs/dbraw/zinc/70/79/27/454707927.db2.gz ZPGPUPCNJSLHKN-KRWDZBQOSA-N 2 2 347.507 3.303 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000136383340 454739319 /nfs/dbraw/zinc/73/93/19/454739319.db2.gz MRKDEVBWFQJRCN-HNNXBMFYSA-N 2 2 348.441 3.239 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000124655418 454757404 /nfs/dbraw/zinc/75/74/04/454757404.db2.gz UCCGJMOFRKAPNB-MRXNPFEDSA-N 2 2 341.421 3.312 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000124655418 454757407 /nfs/dbraw/zinc/75/74/07/454757407.db2.gz UCCGJMOFRKAPNB-MRXNPFEDSA-N 2 2 341.421 3.312 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1F ZINC000153191328 454769590 /nfs/dbraw/zinc/76/95/90/454769590.db2.gz BRRHLLFGNMBWJY-ZIAGYGMSSA-N 2 2 326.481 3.167 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000153307414 454780919 /nfs/dbraw/zinc/78/09/19/454780919.db2.gz CJOGVOWDVMULPH-YOEHRIQHSA-N 2 2 342.430 3.297 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[NH+](C)C ZINC000124908464 454781955 /nfs/dbraw/zinc/78/19/55/454781955.db2.gz SFCTXYKTLNPOHT-KRWDZBQOSA-N 2 2 326.444 3.165 20 0 EGADLP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000153521545 454802851 /nfs/dbraw/zinc/80/28/51/454802851.db2.gz QKTVJEIKBXEXRT-BEFAXECRSA-N 2 2 334.891 3.372 20 0 EGADLP Clc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000153521545 454802854 /nfs/dbraw/zinc/80/28/54/454802854.db2.gz QKTVJEIKBXEXRT-BEFAXECRSA-N 2 2 334.891 3.372 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([S@](C)=O)cc1 ZINC000162892008 454807173 /nfs/dbraw/zinc/80/71/73/454807173.db2.gz SMIQZLWFGURKCF-NPMXOYFQSA-N 2 2 331.485 3.362 20 0 EGADLP COc1ccc([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000177090466 454821687 /nfs/dbraw/zinc/82/16/87/454821687.db2.gz DDMOWESDQXYDNZ-GOSISDBHSA-N 2 2 334.423 3.265 20 0 EGADLP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000177090466 454821689 /nfs/dbraw/zinc/82/16/89/454821689.db2.gz DDMOWESDQXYDNZ-GOSISDBHSA-N 2 2 334.423 3.265 20 0 EGADLP Cn1c(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc2ccccc21 ZINC000177201345 454836502 /nfs/dbraw/zinc/83/65/02/454836502.db2.gz IJSYFJBOQVGQKD-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1c(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)nc2ccccc21 ZINC000177201345 454836506 /nfs/dbraw/zinc/83/65/06/454836506.db2.gz IJSYFJBOQVGQKD-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000109788682 454836568 /nfs/dbraw/zinc/83/65/68/454836568.db2.gz XQURKJXXNDTWMV-UHFFFAOYSA-N 2 2 345.531 3.230 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000109788682 454836573 /nfs/dbraw/zinc/83/65/73/454836573.db2.gz XQURKJXXNDTWMV-UHFFFAOYSA-N 2 2 345.531 3.230 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccccc1 ZINC000635011811 460656085 /nfs/dbraw/zinc/65/60/85/460656085.db2.gz PGSLUGTXZNOKCA-GOEBONIOSA-N 2 2 327.476 3.005 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163785826 454864580 /nfs/dbraw/zinc/86/45/80/454864580.db2.gz FOWJITZMLSIALP-QGZVFWFLSA-N 3 2 342.487 3.175 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149374565 454875860 /nfs/dbraw/zinc/87/58/60/454875860.db2.gz QYEHVFQIETYGKD-KRWDZBQOSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149374565 454875864 /nfs/dbraw/zinc/87/58/64/454875864.db2.gz QYEHVFQIETYGKD-KRWDZBQOSA-N 2 2 340.471 3.257 20 0 EGADLP COC(=O)[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154542924 454906180 /nfs/dbraw/zinc/90/61/80/454906180.db2.gz QINAVUVDELQSFX-PBHICJAKSA-N 2 2 347.846 3.224 20 0 EGADLP COC(=O)[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154542924 454906183 /nfs/dbraw/zinc/90/61/83/454906183.db2.gz QINAVUVDELQSFX-PBHICJAKSA-N 2 2 347.846 3.224 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000166275275 454909543 /nfs/dbraw/zinc/90/95/43/454909543.db2.gz RVTCDILFNQULAV-LJQANCHMSA-N 2 2 335.923 3.234 20 0 EGADLP C[NH+](C)[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000166275275 454909550 /nfs/dbraw/zinc/90/95/50/454909550.db2.gz RVTCDILFNQULAV-LJQANCHMSA-N 2 2 335.923 3.234 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178115652 454936108 /nfs/dbraw/zinc/93/61/08/454936108.db2.gz UKRKGXGOHAIRTC-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178115652 454936113 /nfs/dbraw/zinc/93/61/13/454936113.db2.gz UKRKGXGOHAIRTC-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178115652 454936116 /nfs/dbraw/zinc/93/61/16/454936116.db2.gz UKRKGXGOHAIRTC-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178115652 454936121 /nfs/dbraw/zinc/93/61/21/454936121.db2.gz UKRKGXGOHAIRTC-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Clc1ccccc1CN1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000151122973 454940913 /nfs/dbraw/zinc/94/09/13/454940913.db2.gz ZMOGNGAQLNEMGB-UHFFFAOYSA-N 2 2 332.879 3.181 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000151122973 454940915 /nfs/dbraw/zinc/94/09/15/454940915.db2.gz ZMOGNGAQLNEMGB-UHFFFAOYSA-N 3 2 332.879 3.181 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000178330704 454948403 /nfs/dbraw/zinc/94/84/03/454948403.db2.gz NCYYBIIMQFIMTI-HUUCEWRRSA-N 2 2 337.533 3.029 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)CCC2 ZINC000178330704 454948405 /nfs/dbraw/zinc/94/84/05/454948405.db2.gz NCYYBIIMQFIMTI-HUUCEWRRSA-N 2 2 337.533 3.029 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000178327933 454948582 /nfs/dbraw/zinc/94/85/82/454948582.db2.gz DOKQJLHNYJZVJE-NVXWUHKLSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000178327933 454948588 /nfs/dbraw/zinc/94/85/88/454948588.db2.gz DOKQJLHNYJZVJE-NVXWUHKLSA-N 2 2 338.492 3.309 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000114480987 454956645 /nfs/dbraw/zinc/95/66/45/454956645.db2.gz YMCXJYWXRKDEOS-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000114480987 454956649 /nfs/dbraw/zinc/95/66/49/454956649.db2.gz YMCXJYWXRKDEOS-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2)o1 ZINC000151336757 454970396 /nfs/dbraw/zinc/97/03/96/454970396.db2.gz RIULWPWIPBVTSW-AEFFLSMTSA-N 2 2 328.456 3.444 20 0 EGADLP C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155531817 455012673 /nfs/dbraw/zinc/01/26/73/455012673.db2.gz MXJBOTHDISDREE-KRWDZBQOSA-N 2 2 340.471 3.316 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000151809003 455033065 /nfs/dbraw/zinc/03/30/65/455033065.db2.gz TZHDMTULDUAIBU-MAUKXSAKSA-N 2 2 344.524 3.380 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000151809003 455033070 /nfs/dbraw/zinc/03/30/70/455033070.db2.gz TZHDMTULDUAIBU-MAUKXSAKSA-N 2 2 344.524 3.380 20 0 EGADLP CCO[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745284 455038864 /nfs/dbraw/zinc/03/88/64/455038864.db2.gz XLCDMYBYYUXGRS-IHPCNDPISA-N 2 2 333.520 3.333 20 0 EGADLP CCO[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745284 455038867 /nfs/dbraw/zinc/03/88/67/455038867.db2.gz XLCDMYBYYUXGRS-IHPCNDPISA-N 2 2 333.520 3.333 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000171163841 455039559 /nfs/dbraw/zinc/03/95/59/455039559.db2.gz HBTBUPIUCCVOEK-IBGZPJMESA-N 2 2 348.450 3.119 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000171163841 455039564 /nfs/dbraw/zinc/03/95/64/455039564.db2.gz HBTBUPIUCCVOEK-IBGZPJMESA-N 2 2 348.450 3.119 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000155840018 455052474 /nfs/dbraw/zinc/05/24/74/455052474.db2.gz ZRDFPYZBBPCXBP-CTNGQTDRSA-N 3 2 346.563 3.391 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000155840018 455052477 /nfs/dbraw/zinc/05/24/77/455052477.db2.gz ZRDFPYZBBPCXBP-CTNGQTDRSA-N 3 2 346.563 3.391 20 0 EGADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OC(F)F)cc1OC(F)F ZINC000151951470 455052709 /nfs/dbraw/zinc/05/27/09/455052709.db2.gz WFOWXGONUIDMOY-JTQLQIEISA-N 2 2 338.345 3.492 20 0 EGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000116396214 455055114 /nfs/dbraw/zinc/05/51/14/455055114.db2.gz CTMULTASWCEWGG-GXTWGEPZSA-N 2 2 340.899 3.018 20 0 EGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(F)ccc1F ZINC000116396255 455055310 /nfs/dbraw/zinc/05/53/10/455055310.db2.gz WDBWUOMSKGRLQE-BLLLJJGKSA-N 2 2 341.446 3.248 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156163782 455088731 /nfs/dbraw/zinc/08/87/31/455088731.db2.gz WTPFOCPXBQULHO-MJGOQNOKSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156163782 455088732 /nfs/dbraw/zinc/08/87/32/455088732.db2.gz WTPFOCPXBQULHO-MJGOQNOKSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129482776 455113723 /nfs/dbraw/zinc/11/37/23/455113723.db2.gz QOBRPRRFXVWOTJ-DYVFJYSZSA-N 2 2 348.397 3.073 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129482776 455113727 /nfs/dbraw/zinc/11/37/27/455113727.db2.gz QOBRPRRFXVWOTJ-DYVFJYSZSA-N 2 2 348.397 3.073 20 0 EGADLP Cn1cc([C@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2cccc(F)c2)cn1 ZINC000180061363 455125764 /nfs/dbraw/zinc/12/57/64/455125764.db2.gz PRDITFUVUYDIPK-HXUWFJFHSA-N 2 2 349.413 3.129 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCCCC1 ZINC000119193020 455131744 /nfs/dbraw/zinc/13/17/44/455131744.db2.gz KZHNXLABBJEGKI-BJLQDIEVSA-N 2 2 345.531 3.295 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCCCC1 ZINC000119193020 455131749 /nfs/dbraw/zinc/13/17/49/455131749.db2.gz KZHNXLABBJEGKI-BJLQDIEVSA-N 2 2 345.531 3.295 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000156559434 455133027 /nfs/dbraw/zinc/13/30/27/455133027.db2.gz GMVRWVITUPEGGL-GXTWGEPZSA-N 2 2 328.403 3.432 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000156559434 455133031 /nfs/dbraw/zinc/13/30/31/455133031.db2.gz GMVRWVITUPEGGL-GXTWGEPZSA-N 2 2 328.403 3.432 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000156575430 455134658 /nfs/dbraw/zinc/13/46/58/455134658.db2.gz IZIJEMRUALRSIP-LJQANCHMSA-N 2 2 335.923 3.378 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000156575430 455134663 /nfs/dbraw/zinc/13/46/63/455134663.db2.gz IZIJEMRUALRSIP-LJQANCHMSA-N 2 2 335.923 3.378 20 0 EGADLP Cn1cc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cccc(F)c2)cn1 ZINC000180166892 455143819 /nfs/dbraw/zinc/14/38/19/455143819.db2.gz AJOWPVBAHWTTEY-HXUWFJFHSA-N 2 2 342.462 3.113 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000156706687 455145766 /nfs/dbraw/zinc/14/57/66/455145766.db2.gz BJPJAVHKNVUEHJ-ZGGTZUKQSA-N 2 2 341.499 3.141 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000156706687 455145768 /nfs/dbraw/zinc/14/57/68/455145768.db2.gz BJPJAVHKNVUEHJ-ZGGTZUKQSA-N 2 2 341.499 3.141 20 0 EGADLP c1cn(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863741 455179694 /nfs/dbraw/zinc/17/96/94/455179694.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 3 2 338.499 3.260 20 0 EGADLP c1cn(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863741 455179699 /nfs/dbraw/zinc/17/96/99/455179699.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 3 2 338.499 3.260 20 0 EGADLP c1cn(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863741 455179702 /nfs/dbraw/zinc/17/97/02/455179702.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 3 2 338.499 3.260 20 0 EGADLP c1cn(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863741 455179707 /nfs/dbraw/zinc/17/97/07/455179707.db2.gz QNJJPASSZBUQEM-SFTDATJTSA-N 3 2 338.499 3.260 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)o1 ZINC000237409119 455183184 /nfs/dbraw/zinc/18/31/84/455183184.db2.gz IAGMVZFXIYDRDX-HNNXBMFYSA-N 2 2 346.446 3.452 20 0 EGADLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264841311 455290655 /nfs/dbraw/zinc/29/06/55/455290655.db2.gz DTGGVXKSSLTIJR-OAHLLOKOSA-N 2 2 327.428 3.334 20 0 EGADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264841311 455290660 /nfs/dbraw/zinc/29/06/60/455290660.db2.gz DTGGVXKSSLTIJR-OAHLLOKOSA-N 2 2 327.428 3.334 20 0 EGADLP COc1ccc([C@H](C[NH2+]C2CC(OC(C)C)C2)[NH+]2CCCC2)cc1 ZINC000189508320 455210431 /nfs/dbraw/zinc/21/04/31/455210431.db2.gz ISBSHAWSVLLPBG-UUKMXZOPSA-N 2 2 332.488 3.378 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000183350452 455281376 /nfs/dbraw/zinc/28/13/76/455281376.db2.gz DVOXONIUBFZFMI-DNVCBOLYSA-N 2 2 339.487 3.081 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442276 455301435 /nfs/dbraw/zinc/30/14/35/455301435.db2.gz WEXASNAYWQOLFT-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442276 455301438 /nfs/dbraw/zinc/30/14/38/455301438.db2.gz WEXASNAYWQOLFT-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442276 455301441 /nfs/dbraw/zinc/30/14/41/455301441.db2.gz WEXASNAYWQOLFT-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442276 455301444 /nfs/dbraw/zinc/30/14/44/455301444.db2.gz WEXASNAYWQOLFT-HUUCEWRRSA-N 2 2 337.895 3.331 20 0 EGADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173597852 455314326 /nfs/dbraw/zinc/31/43/26/455314326.db2.gz AYPKUSAXFGLDQD-HZPDHXFCSA-N 2 2 341.459 3.000 20 0 EGADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173597852 455314327 /nfs/dbraw/zinc/31/43/27/455314327.db2.gz AYPKUSAXFGLDQD-HZPDHXFCSA-N 2 2 341.459 3.000 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccccn3)cc2)CC1 ZINC000158669640 455320982 /nfs/dbraw/zinc/32/09/82/455320982.db2.gz DVSHLCMSYCDQKW-GOSISDBHSA-N 2 2 338.499 3.070 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1OC ZINC000190492560 455331343 /nfs/dbraw/zinc/33/13/43/455331343.db2.gz MPPZRGSBDMDMFA-QGZVFWFLSA-N 2 2 347.503 3.043 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000245583148 455335328 /nfs/dbraw/zinc/33/53/28/455335328.db2.gz IDBGOLIHWICPQM-VWPQPMDRSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000245583148 455335331 /nfs/dbraw/zinc/33/53/31/455335331.db2.gz IDBGOLIHWICPQM-VWPQPMDRSA-N 2 2 336.479 3.289 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000245745369 455372276 /nfs/dbraw/zinc/37/22/76/455372276.db2.gz XXDCVTGZEYEOJW-VKJFTORMSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000245745369 455372279 /nfs/dbraw/zinc/37/22/79/455372279.db2.gz XXDCVTGZEYEOJW-VKJFTORMSA-N 2 2 344.434 3.241 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000245754805 455373740 /nfs/dbraw/zinc/37/37/40/455373740.db2.gz OKRUCCGCSSLNGV-VQIMIIECSA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000245754805 455373741 /nfs/dbraw/zinc/37/37/41/455373741.db2.gz OKRUCCGCSSLNGV-VQIMIIECSA-N 2 2 344.499 3.469 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000184371255 455374677 /nfs/dbraw/zinc/37/46/77/455374677.db2.gz CCBGZEHZRVJIQD-LSDHHAIUSA-N 2 2 345.512 3.105 20 0 EGADLP Cc1cccn2c(C[NH2+]CCc3nc4c(cccc4F)n3C)c[nH+]c12 ZINC000174392135 455386252 /nfs/dbraw/zinc/38/62/52/455386252.db2.gz CGEVRLDEUJYPSV-UHFFFAOYSA-N 2 2 337.402 3.001 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)C[C@H](C)O1 ZINC000181926225 455401183 /nfs/dbraw/zinc/40/11/83/455401183.db2.gz JBCSCYITSKPUQM-RVKKMQEKSA-N 2 2 336.451 3.128 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)C[C@H](C)O1 ZINC000181926225 455401184 /nfs/dbraw/zinc/40/11/84/455401184.db2.gz JBCSCYITSKPUQM-RVKKMQEKSA-N 2 2 336.451 3.128 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000245956013 455407331 /nfs/dbraw/zinc/40/73/31/455407331.db2.gz XINQJGLPYWSXBR-XLNTUCKNSA-N 2 2 343.515 3.400 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000246010007 455414064 /nfs/dbraw/zinc/41/40/64/455414064.db2.gz IAWKCLSRBLOOGR-MJQMVNBJSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000246010007 455414068 /nfs/dbraw/zinc/41/40/68/455414068.db2.gz IAWKCLSRBLOOGR-MJQMVNBJSA-N 2 2 326.488 3.227 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000182020188 455418538 /nfs/dbraw/zinc/41/85/38/455418538.db2.gz VPWCEZWYPNDWKN-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000182020188 455418539 /nfs/dbraw/zinc/41/85/39/455418539.db2.gz VPWCEZWYPNDWKN-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000182020188 455418542 /nfs/dbraw/zinc/41/85/42/455418542.db2.gz VPWCEZWYPNDWKN-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000182020188 455418544 /nfs/dbraw/zinc/41/85/44/455418544.db2.gz VPWCEZWYPNDWKN-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000182090027 455432818 /nfs/dbraw/zinc/43/28/18/455432818.db2.gz UAIKRGKGMYLYJC-SFHVURJKSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000182090027 455432823 /nfs/dbraw/zinc/43/28/23/455432823.db2.gz UAIKRGKGMYLYJC-SFHVURJKSA-N 2 2 335.455 3.061 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000246224923 455452578 /nfs/dbraw/zinc/45/25/78/455452578.db2.gz REZSQGALKBBJHR-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000246224923 455452583 /nfs/dbraw/zinc/45/25/83/455452583.db2.gz REZSQGALKBBJHR-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266929058 455477975 /nfs/dbraw/zinc/47/79/75/455477975.db2.gz OFBLDPGQPAZXDH-ZIAGYGMSSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266929058 455477981 /nfs/dbraw/zinc/47/79/81/455477981.db2.gz OFBLDPGQPAZXDH-ZIAGYGMSSA-N 2 2 330.407 3.064 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038660 455549508 /nfs/dbraw/zinc/54/95/08/455549508.db2.gz RQTNHILIKPLAAK-MSOLQXFVSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038660 455549513 /nfs/dbraw/zinc/54/95/13/455549513.db2.gz RQTNHILIKPLAAK-MSOLQXFVSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038660 455549518 /nfs/dbraw/zinc/54/95/18/455549518.db2.gz RQTNHILIKPLAAK-MSOLQXFVSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000247038660 455549519 /nfs/dbraw/zinc/54/95/19/455549519.db2.gz RQTNHILIKPLAAK-MSOLQXFVSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675001 455593705 /nfs/dbraw/zinc/59/37/05/455593705.db2.gz ZIDZHKAXHLOEOG-RDJZCZTQSA-N 2 2 340.471 3.479 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675001 455593708 /nfs/dbraw/zinc/59/37/08/455593708.db2.gz ZIDZHKAXHLOEOG-RDJZCZTQSA-N 2 2 340.471 3.479 20 0 EGADLP c1c[nH]c([C@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000283901561 455608626 /nfs/dbraw/zinc/60/86/26/455608626.db2.gz BIKGJWFLUYUKKB-PZJWPPBQSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000283901561 455608634 /nfs/dbraw/zinc/60/86/34/455608634.db2.gz BIKGJWFLUYUKKB-PZJWPPBQSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283901561 455608640 /nfs/dbraw/zinc/60/86/40/455608640.db2.gz BIKGJWFLUYUKKB-PZJWPPBQSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283901561 455608646 /nfs/dbraw/zinc/60/86/46/455608646.db2.gz BIKGJWFLUYUKKB-PZJWPPBQSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@@H]2CCC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000283901560 455609332 /nfs/dbraw/zinc/60/93/32/455609332.db2.gz BIKGJWFLUYUKKB-FPOVZHCZSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@@H]2CCC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000283901560 455609335 /nfs/dbraw/zinc/60/93/35/455609335.db2.gz BIKGJWFLUYUKKB-FPOVZHCZSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283901560 455609340 /nfs/dbraw/zinc/60/93/40/455609340.db2.gz BIKGJWFLUYUKKB-FPOVZHCZSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283901560 455609344 /nfs/dbraw/zinc/60/93/44/455609344.db2.gz BIKGJWFLUYUKKB-FPOVZHCZSA-N 2 2 339.483 3.443 20 0 EGADLP COc1ccc([C@H](C[NH+](C)C)NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000283910122 455610582 /nfs/dbraw/zinc/61/05/82/455610582.db2.gz IGLKVAQJRFKTHD-IBGZPJMESA-N 2 2 338.455 3.044 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000192437490 455615194 /nfs/dbraw/zinc/61/51/94/455615194.db2.gz RQKOSHAPMVRHQH-GPANFISMSA-N 2 2 336.501 3.206 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247552675 455623270 /nfs/dbraw/zinc/62/32/70/455623270.db2.gz KMRLXACILZAHLK-GUYCJALGSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247552675 455623275 /nfs/dbraw/zinc/62/32/75/455623275.db2.gz KMRLXACILZAHLK-GUYCJALGSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247552672 455623371 /nfs/dbraw/zinc/62/33/71/455623371.db2.gz KMRLXACILZAHLK-DYVFJYSZSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247552672 455623375 /nfs/dbraw/zinc/62/33/75/455623375.db2.gz KMRLXACILZAHLK-DYVFJYSZSA-N 2 2 346.862 3.367 20 0 EGADLP C[C@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044355 455627486 /nfs/dbraw/zinc/62/74/86/455627486.db2.gz JDNVHJKPLFHDGO-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044355 455627491 /nfs/dbraw/zinc/62/74/91/455627491.db2.gz JDNVHJKPLFHDGO-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044355 455627494 /nfs/dbraw/zinc/62/74/94/455627494.db2.gz JDNVHJKPLFHDGO-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044355 455627498 /nfs/dbraw/zinc/62/74/98/455627498.db2.gz JDNVHJKPLFHDGO-HKUYNNGSSA-N 2 2 334.529 3.105 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(F)c1 ZINC000247689379 455637815 /nfs/dbraw/zinc/63/78/15/455637815.db2.gz VQQLNJNVUKRVEB-JKSUJKDBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(F)c1 ZINC000247689379 455637821 /nfs/dbraw/zinc/63/78/21/455637821.db2.gz VQQLNJNVUKRVEB-JKSUJKDBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000247689379 455637827 /nfs/dbraw/zinc/63/78/27/455637827.db2.gz VQQLNJNVUKRVEB-JKSUJKDBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(F)c1 ZINC000247689379 455637830 /nfs/dbraw/zinc/63/78/30/455637830.db2.gz VQQLNJNVUKRVEB-JKSUJKDBSA-N 2 2 335.467 3.267 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271459460 455644756 /nfs/dbraw/zinc/64/47/56/455644756.db2.gz HFYQMEIZOAEFRO-RKCSVJPLSA-N 2 2 328.859 3.485 20 0 EGADLP CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271459460 455644760 /nfs/dbraw/zinc/64/47/60/455644760.db2.gz HFYQMEIZOAEFRO-RKCSVJPLSA-N 2 2 328.859 3.485 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000247809400 455647763 /nfs/dbraw/zinc/64/77/63/455647763.db2.gz UIFNMIVVBAQSRT-SJLPKXTDSA-N 2 2 346.519 3.167 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000247809400 455647766 /nfs/dbraw/zinc/64/77/66/455647766.db2.gz UIFNMIVVBAQSRT-SJLPKXTDSA-N 2 2 346.519 3.167 20 0 EGADLP C[N@H+](CCC1CCOCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284302126 455665222 /nfs/dbraw/zinc/66/52/22/455665222.db2.gz ZFHAPLFBNKPYEC-NRFANRHFSA-N 2 2 346.515 3.026 20 0 EGADLP C[N@@H+](CCC1CCOCC1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284302126 455665228 /nfs/dbraw/zinc/66/52/28/455665228.db2.gz ZFHAPLFBNKPYEC-NRFANRHFSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](CCC1CCOCC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284302126 455665232 /nfs/dbraw/zinc/66/52/32/455665232.db2.gz ZFHAPLFBNKPYEC-NRFANRHFSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](CCC1CCOCC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284302126 455665236 /nfs/dbraw/zinc/66/52/36/455665236.db2.gz ZFHAPLFBNKPYEC-NRFANRHFSA-N 2 2 346.515 3.026 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000284452512 455688211 /nfs/dbraw/zinc/68/82/11/455688211.db2.gz SOVCLAMPAZSRGN-ZBFHGGJFSA-N 2 2 339.911 3.024 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000284452512 455688213 /nfs/dbraw/zinc/68/82/13/455688213.db2.gz SOVCLAMPAZSRGN-ZBFHGGJFSA-N 2 2 339.911 3.024 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000268872337 455716715 /nfs/dbraw/zinc/71/67/15/455716715.db2.gz GINNNODJXLFKAD-YOEHRIQHSA-N 2 2 329.513 3.114 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000268872337 455716732 /nfs/dbraw/zinc/71/67/32/455716732.db2.gz GINNNODJXLFKAD-YOEHRIQHSA-N 2 2 329.513 3.114 20 0 EGADLP COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000268899387 455723727 /nfs/dbraw/zinc/72/37/27/455723727.db2.gz KUMOQZGLIFOIRB-YWZLYKJASA-N 2 2 337.423 3.265 20 0 EGADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)oc2cc1C ZINC000268928309 455733421 /nfs/dbraw/zinc/73/34/21/455733421.db2.gz QDWUDSVPLVTBAY-DOTOQJQBSA-N 2 2 343.471 3.040 20 0 EGADLP Cc1cc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)oc2cc1C ZINC000268928309 455733426 /nfs/dbraw/zinc/73/34/26/455733426.db2.gz QDWUDSVPLVTBAY-DOTOQJQBSA-N 2 2 343.471 3.040 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2csc(C(C)C)n2)CC1 ZINC000186310291 455739736 /nfs/dbraw/zinc/73/97/36/455739736.db2.gz LWRUXKHFNLQACP-CQSZACIVSA-N 2 2 325.522 3.418 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349270 455749483 /nfs/dbraw/zinc/74/94/83/455749483.db2.gz QACJFTTXLWFZFV-QGZVFWFLSA-N 2 2 332.488 3.495 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349270 455749488 /nfs/dbraw/zinc/74/94/88/455749488.db2.gz QACJFTTXLWFZFV-QGZVFWFLSA-N 2 2 332.488 3.495 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CCc2ccccc2)CC1 ZINC000271798886 455764244 /nfs/dbraw/zinc/76/42/44/455764244.db2.gz KRLIIJNPABJWHO-KRWDZBQOSA-N 2 2 332.488 3.015 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271819455 455773983 /nfs/dbraw/zinc/77/39/83/455773983.db2.gz MRSWGETZTUGYFG-CRAIPNDOSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271819455 455773989 /nfs/dbraw/zinc/77/39/89/455773989.db2.gz MRSWGETZTUGYFG-CRAIPNDOSA-N 2 2 342.439 3.066 20 0 EGADLP Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000193848547 455783258 /nfs/dbraw/zinc/78/32/58/455783258.db2.gz GQLLCHLPNAATLW-GOSISDBHSA-N 2 2 338.455 3.342 20 0 EGADLP Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000193848547 455783263 /nfs/dbraw/zinc/78/32/63/455783263.db2.gz GQLLCHLPNAATLW-GOSISDBHSA-N 2 2 338.455 3.342 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2([C@@H](C)CCO)CCC2)n1-c1ccccc1 ZINC000271843997 455783874 /nfs/dbraw/zinc/78/38/74/455783874.db2.gz RLHLAUDPSXGCDG-INIZCTEOSA-N 2 2 327.472 3.459 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000278202322 455785896 /nfs/dbraw/zinc/78/58/96/455785896.db2.gz GTCDGAQENFBNCG-AWEZNQCLSA-N 2 2 339.395 3.162 20 0 EGADLP CO[C@]1(C)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285174346 455800248 /nfs/dbraw/zinc/80/02/48/455800248.db2.gz CUHCDDWTMRGFSQ-OAQYLSRUSA-N 2 2 345.531 3.090 20 0 EGADLP CO[C@]1(C)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285174346 455800250 /nfs/dbraw/zinc/80/02/50/455800250.db2.gz CUHCDDWTMRGFSQ-OAQYLSRUSA-N 2 2 345.531 3.090 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1O ZINC000278295045 455809860 /nfs/dbraw/zinc/80/98/60/455809860.db2.gz CXLWLOZFVJZZNT-QAPCUYQASA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1O ZINC000278295045 455809864 /nfs/dbraw/zinc/80/98/64/455809864.db2.gz CXLWLOZFVJZZNT-QAPCUYQASA-N 2 2 332.488 3.328 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186639763 455811031 /nfs/dbraw/zinc/81/10/31/455811031.db2.gz AIHLSYALJDQTGR-LJQANCHMSA-N 2 2 330.451 3.113 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354510 455826880 /nfs/dbraw/zinc/82/68/80/455826880.db2.gz AZZDZEWQZFUVNI-ROUUACIJSA-N 3 2 342.487 3.024 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354510 455826881 /nfs/dbraw/zinc/82/68/81/455826881.db2.gz AZZDZEWQZFUVNI-ROUUACIJSA-N 3 2 342.487 3.024 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000285393608 455835886 /nfs/dbraw/zinc/83/58/86/455835886.db2.gz HSBMRRZKPFYVOI-UHFFFAOYSA-N 2 2 347.894 3.192 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285406681 455837855 /nfs/dbraw/zinc/83/78/55/455837855.db2.gz FPDUSUNZCAINQI-YOFSQIOKSA-N 2 2 337.467 3.335 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285406681 455837859 /nfs/dbraw/zinc/83/78/59/455837859.db2.gz FPDUSUNZCAINQI-YOFSQIOKSA-N 2 2 337.467 3.335 20 0 EGADLP C[NH+](CC(=O)Nc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285406681 455837866 /nfs/dbraw/zinc/83/78/66/455837866.db2.gz FPDUSUNZCAINQI-YOFSQIOKSA-N 2 2 337.467 3.335 20 0 EGADLP C[NH+](CC(=O)Nc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285406681 455837871 /nfs/dbraw/zinc/83/78/71/455837871.db2.gz FPDUSUNZCAINQI-YOFSQIOKSA-N 2 2 337.467 3.335 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000269341936 455838946 /nfs/dbraw/zinc/83/89/46/455838946.db2.gz HHWANNLJJSGNGA-UHFFFAOYSA-N 2 2 330.501 3.298 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285575752 455873422 /nfs/dbraw/zinc/87/34/22/455873422.db2.gz SVIQADHYFQJSMK-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285575752 455873426 /nfs/dbraw/zinc/87/34/26/455873426.db2.gz SVIQADHYFQJSMK-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285575752 455873430 /nfs/dbraw/zinc/87/34/30/455873430.db2.gz SVIQADHYFQJSMK-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285575752 455873434 /nfs/dbraw/zinc/87/34/34/455873434.db2.gz SVIQADHYFQJSMK-YIONKMFJSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272229046 455884790 /nfs/dbraw/zinc/88/47/90/455884790.db2.gz LUQJTBWXXHJHKC-QGZVFWFLSA-N 2 2 342.491 3.237 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272229046 455884795 /nfs/dbraw/zinc/88/47/95/455884795.db2.gz LUQJTBWXXHJHKC-QGZVFWFLSA-N 2 2 342.491 3.237 20 0 EGADLP CC(C)n1nccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000280128696 455898635 /nfs/dbraw/zinc/89/86/35/455898635.db2.gz CZKPPUFHWZIQLM-INIZCTEOSA-N 2 2 327.476 3.174 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744841 455907711 /nfs/dbraw/zinc/90/77/11/455907711.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744841 455907715 /nfs/dbraw/zinc/90/77/15/455907715.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744841 455907720 /nfs/dbraw/zinc/90/77/20/455907720.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744841 455907723 /nfs/dbraw/zinc/90/77/23/455907723.db2.gz YJDHPMPJUXZBRN-NHCUHLMSSA-N 3 2 327.516 3.069 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261566548 455909130 /nfs/dbraw/zinc/90/91/30/455909130.db2.gz IGZDINTZDMPBLC-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261566548 455909134 /nfs/dbraw/zinc/90/91/34/455909134.db2.gz IGZDINTZDMPBLC-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261613225 455914077 /nfs/dbraw/zinc/91/40/77/455914077.db2.gz CBZUYLLANPRCQQ-ZWKOTPCHSA-N 2 2 343.858 3.095 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261613225 455914081 /nfs/dbraw/zinc/91/40/81/455914081.db2.gz CBZUYLLANPRCQQ-ZWKOTPCHSA-N 2 2 343.858 3.095 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(C(=O)OC)CCC1 ZINC000272343185 455920707 /nfs/dbraw/zinc/92/07/07/455920707.db2.gz CALVMVIZMAQUME-GOSISDBHSA-N 2 2 341.455 3.143 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261755558 455942047 /nfs/dbraw/zinc/94/20/47/455942047.db2.gz UJXLIGSLBUZYIS-BLLLJJGKSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ncccc12 ZINC000261755558 455942050 /nfs/dbraw/zinc/94/20/50/455942050.db2.gz UJXLIGSLBUZYIS-BLLLJJGKSA-N 2 2 346.272 3.181 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000195466929 455965092 /nfs/dbraw/zinc/96/50/92/455965092.db2.gz ASDPBKUMUOSEKW-HUUCEWRRSA-N 2 2 341.952 3.392 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261920032 455972114 /nfs/dbraw/zinc/97/21/14/455972114.db2.gz BMQAFACRTSQNCL-APWZRJJASA-N 2 2 325.456 3.056 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261920032 455972119 /nfs/dbraw/zinc/97/21/19/455972119.db2.gz BMQAFACRTSQNCL-APWZRJJASA-N 2 2 325.456 3.056 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H]1[NH3+] ZINC000262026851 455986999 /nfs/dbraw/zinc/98/69/99/455986999.db2.gz NPRZBOXOADIMNQ-SCLBCKFNSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H]1[NH3+] ZINC000262026851 455987005 /nfs/dbraw/zinc/98/70/05/455987005.db2.gz NPRZBOXOADIMNQ-SCLBCKFNSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262038184 455988930 /nfs/dbraw/zinc/98/89/30/455988930.db2.gz OVRNMVQCWJYGBY-LAUBAEHRSA-N 2 2 346.478 3.377 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262038184 455988934 /nfs/dbraw/zinc/98/89/34/455988934.db2.gz OVRNMVQCWJYGBY-LAUBAEHRSA-N 2 2 346.478 3.377 20 0 EGADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccs1 ZINC000270632042 456000388 /nfs/dbraw/zinc/00/03/88/456000388.db2.gz GZKZAVXEIGJPJV-QGZVFWFLSA-N 2 2 327.453 3.180 20 0 EGADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccs1 ZINC000270632042 456000394 /nfs/dbraw/zinc/00/03/94/456000394.db2.gz GZKZAVXEIGJPJV-QGZVFWFLSA-N 2 2 327.453 3.180 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)c2C1 ZINC000612712815 460707257 /nfs/dbraw/zinc/70/72/57/460707257.db2.gz YDPSBLOACTZYFW-HZPDHXFCSA-N 2 2 338.455 3.134 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)c2C1 ZINC000612712815 460707262 /nfs/dbraw/zinc/70/72/62/460707262.db2.gz YDPSBLOACTZYFW-HZPDHXFCSA-N 2 2 338.455 3.134 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272669151 456033202 /nfs/dbraw/zinc/03/32/02/456033202.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272669151 456033208 /nfs/dbraw/zinc/03/32/08/456033208.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272669151 456033214 /nfs/dbraw/zinc/03/32/14/456033214.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272669151 456033218 /nfs/dbraw/zinc/03/32/18/456033218.db2.gz OVGFCDFZZOJCOS-WJMWBRGCSA-N 3 2 327.516 3.113 20 0 EGADLP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000272742384 456057480 /nfs/dbraw/zinc/05/74/80/456057480.db2.gz REIURNAKXYBUQY-UHFFFAOYSA-N 2 2 345.409 3.375 20 0 EGADLP COc1ccc(C[C@@](C)([NH3+])CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000270970609 456080597 /nfs/dbraw/zinc/08/05/97/456080597.db2.gz QBJJQNPVTMBDKE-LJQANCHMSA-N 2 2 326.444 3.043 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(OC)c1OC ZINC000271035611 456105958 /nfs/dbraw/zinc/10/59/58/456105958.db2.gz JCROKGISKGYEID-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(OC)c1OC ZINC000271035611 456105963 /nfs/dbraw/zinc/10/59/63/456105963.db2.gz JCROKGISKGYEID-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1cc(OC)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000271039791 456107608 /nfs/dbraw/zinc/10/76/08/456107608.db2.gz LQUHEVHNGUICFK-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1cc(OC)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(OC)c1 ZINC000271039791 456107611 /nfs/dbraw/zinc/10/76/11/456107611.db2.gz LQUHEVHNGUICFK-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3sccc3Br)CC[C@H]21 ZINC000227343817 456115473 /nfs/dbraw/zinc/11/54/73/456115473.db2.gz HLVHCEMPCWXQCV-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3sccc3Br)CC[C@H]21 ZINC000227343817 456115477 /nfs/dbraw/zinc/11/54/77/456115477.db2.gz HLVHCEMPCWXQCV-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3sccc3Br)CC[C@H]21 ZINC000227343817 456115484 /nfs/dbraw/zinc/11/54/84/456115484.db2.gz HLVHCEMPCWXQCV-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3sccc3Br)CC[C@H]21 ZINC000227343817 456115487 /nfs/dbraw/zinc/11/54/87/456115487.db2.gz HLVHCEMPCWXQCV-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+](CCCOCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000281139037 456143447 /nfs/dbraw/zinc/14/34/47/456143447.db2.gz DQJZFGHBTIPVNJ-UHFFFAOYSA-N 2 2 336.439 3.306 20 0 EGADLP C[N@@H+](CCCOCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000281139037 456143453 /nfs/dbraw/zinc/14/34/53/456143453.db2.gz DQJZFGHBTIPVNJ-UHFFFAOYSA-N 2 2 336.439 3.306 20 0 EGADLP COc1cccc([C@H](CNc2nc(C)[nH+]c3c2CCCC3)[NH+](C)C)c1 ZINC000301558443 456146466 /nfs/dbraw/zinc/14/64/66/456146466.db2.gz JMCONDWCCYPBCV-IBGZPJMESA-N 2 2 340.471 3.387 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CCC[N@H+](CCCO)C3)ccc2c1 ZINC000297193921 456147147 /nfs/dbraw/zinc/14/71/47/456147147.db2.gz FPCIZNGFPPMMLO-JXFKEZNVSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CCC[N@@H+](CCCO)C3)ccc2c1 ZINC000297193921 456147150 /nfs/dbraw/zinc/14/71/50/456147150.db2.gz FPCIZNGFPPMMLO-JXFKEZNVSA-N 2 2 342.483 3.346 20 0 EGADLP Cc1ccc([C@@H](CNc2nc(C)[nH+]c(C)c2C)[NH+]2CCOCC2)cc1 ZINC000301629195 456168027 /nfs/dbraw/zinc/16/80/27/456168027.db2.gz AUNQWVXCKGLNRI-LJQANCHMSA-N 2 2 340.471 3.196 20 0 EGADLP Cc1ccc([C@H](CNc2nc(C)[nH+]c(C)c2C)[NH+]2CCOCC2)cc1 ZINC000301629194 456168061 /nfs/dbraw/zinc/16/80/61/456168061.db2.gz AUNQWVXCKGLNRI-IBGZPJMESA-N 2 2 340.471 3.196 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2[nH+]c1C1CC1 ZINC000333240971 456184967 /nfs/dbraw/zinc/18/49/67/456184967.db2.gz DVVCZFKSIFJDOJ-INIZCTEOSA-N 2 2 326.444 3.167 20 0 EGADLP Cc1nn2c(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)c(C(C)C)nc2s1 ZINC000333289827 456194768 /nfs/dbraw/zinc/19/47/68/456194768.db2.gz OJXDTHYAXCIPBC-BZPMIXESSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1nn2c(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)c(C(C)C)nc2s1 ZINC000333289827 456194771 /nfs/dbraw/zinc/19/47/71/456194771.db2.gz OJXDTHYAXCIPBC-BZPMIXESSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1ccc([C@H](CNc2nc(N(C)C)cc[nH+]2)[NH+]2CCCC2)cc1 ZINC000301726321 456199689 /nfs/dbraw/zinc/19/96/89/456199689.db2.gz MYHPBWGEGHTFAK-KRWDZBQOSA-N 2 2 325.460 3.100 20 0 EGADLP C[C@@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000301734281 456200926 /nfs/dbraw/zinc/20/09/26/456200926.db2.gz AOIMHWRVCBYTED-KGLIPLIRSA-N 2 2 334.508 3.203 20 0 EGADLP C[C@@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000301734281 456200930 /nfs/dbraw/zinc/20/09/30/456200930.db2.gz AOIMHWRVCBYTED-KGLIPLIRSA-N 2 2 334.508 3.203 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OCC(F)(F)F ZINC000236945288 456205276 /nfs/dbraw/zinc/20/52/76/456205276.db2.gz ZMJXAPNQFVZDLO-AWEZNQCLSA-N 2 2 346.393 3.210 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OCC(F)(F)F ZINC000236945288 456205285 /nfs/dbraw/zinc/20/52/85/456205285.db2.gz ZMJXAPNQFVZDLO-AWEZNQCLSA-N 2 2 346.393 3.210 20 0 EGADLP CC(C)c1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc(C(C)C)[nH+]1 ZINC000301833246 456227509 /nfs/dbraw/zinc/22/75/09/456227509.db2.gz UQZRLHJVGWJDNT-KRWDZBQOSA-N 2 2 346.519 3.272 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620648708 460720441 /nfs/dbraw/zinc/72/04/41/460720441.db2.gz HTPFJMHKHCDJJJ-SFHVURJKSA-N 2 2 348.450 3.493 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620648708 460720446 /nfs/dbraw/zinc/72/04/46/460720446.db2.gz HTPFJMHKHCDJJJ-SFHVURJKSA-N 2 2 348.450 3.493 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281529931 456258455 /nfs/dbraw/zinc/25/84/55/456258455.db2.gz ZWUVJLBXUHFQFD-OAHLLOKOSA-N 2 2 335.517 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281529931 456258461 /nfs/dbraw/zinc/25/84/61/456258461.db2.gz ZWUVJLBXUHFQFD-OAHLLOKOSA-N 2 2 335.517 3.153 20 0 EGADLP CCc1cc(NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302039618 456273814 /nfs/dbraw/zinc/27/38/14/456273814.db2.gz HGYQEALLOOUFIS-LJQANCHMSA-N 2 2 340.471 3.141 20 0 EGADLP Cc1nc(NCC[N@@H+]2CCc3sccc3C2)c2c([nH+]1)CCCC2 ZINC000302048889 456275567 /nfs/dbraw/zinc/27/55/67/456275567.db2.gz MMHLAVOQFSHABD-UHFFFAOYSA-N 2 2 328.485 3.196 20 0 EGADLP Cc1nc(NCC[N@H+]2CCc3sccc3C2)c2c([nH+]1)CCCC2 ZINC000302048889 456275571 /nfs/dbraw/zinc/27/55/71/456275571.db2.gz MMHLAVOQFSHABD-UHFFFAOYSA-N 2 2 328.485 3.196 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(C)c1 ZINC000352759221 456282496 /nfs/dbraw/zinc/28/24/96/456282496.db2.gz JJXQQTUDRLKKAF-HNNXBMFYSA-N 2 2 333.501 3.460 20 0 EGADLP COc1ccc(CCC[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347680043 456301771 /nfs/dbraw/zinc/30/17/71/456301771.db2.gz XDDCQMUJWKCXCJ-UHFFFAOYSA-N 2 2 333.501 3.278 20 0 EGADLP COc1ccc(CCC[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000347680043 456301776 /nfs/dbraw/zinc/30/17/76/456301776.db2.gz XDDCQMUJWKCXCJ-UHFFFAOYSA-N 2 2 333.501 3.278 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683719 456303298 /nfs/dbraw/zinc/30/32/98/456303298.db2.gz ZQLARHAYJMHANG-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683719 456303300 /nfs/dbraw/zinc/30/33/00/456303300.db2.gz ZQLARHAYJMHANG-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)[C@@H](C)C1 ZINC000290387390 456313775 /nfs/dbraw/zinc/31/37/75/456313775.db2.gz OJRNVDCGRFCBRJ-AZUAARDMSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2c[nH+]ccc2C)[C@@H](C)C1 ZINC000290387390 456313779 /nfs/dbraw/zinc/31/37/79/456313779.db2.gz OJRNVDCGRFCBRJ-AZUAARDMSA-N 3 2 333.520 3.049 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000290415466 456322211 /nfs/dbraw/zinc/32/22/11/456322211.db2.gz QNBHHIMPQRDZRZ-QGZVFWFLSA-N 2 2 349.272 3.408 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340223317 456323673 /nfs/dbraw/zinc/32/36/73/456323673.db2.gz QUHWOSLEMVSRGY-ROUUACIJSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340223317 456323678 /nfs/dbraw/zinc/32/36/78/456323678.db2.gz QUHWOSLEMVSRGY-ROUUACIJSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000302250426 456329121 /nfs/dbraw/zinc/32/91/21/456329121.db2.gz MUBHPZDDNVDSKG-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000302250426 456329124 /nfs/dbraw/zinc/32/91/24/456329124.db2.gz MUBHPZDDNVDSKG-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000352820574 456336587 /nfs/dbraw/zinc/33/65/87/456336587.db2.gz ZDCYTXSTMJOHQF-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)o1 ZINC000352820574 456336593 /nfs/dbraw/zinc/33/65/93/456336593.db2.gz ZDCYTXSTMJOHQF-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)o1 ZINC000352820574 456336597 /nfs/dbraw/zinc/33/65/97/456336597.db2.gz ZDCYTXSTMJOHQF-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000352820574 456336602 /nfs/dbraw/zinc/33/66/02/456336602.db2.gz ZDCYTXSTMJOHQF-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872485 456338425 /nfs/dbraw/zinc/33/84/25/456338425.db2.gz OGEAPBDJOKLQMS-UZLBHIALSA-N 2 2 331.504 3.402 20 0 EGADLP CCCOc1cccc2c(NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000352824643 456340358 /nfs/dbraw/zinc/34/03/58/456340358.db2.gz AGKAUZJJVFCPHI-MRXNPFEDSA-N 2 2 341.455 3.299 20 0 EGADLP CCCOc1cccc2c(NC[C@@H]3C[N@H+](C4CC4)CCO3)cc[nH+]c12 ZINC000352824643 456340365 /nfs/dbraw/zinc/34/03/65/456340365.db2.gz AGKAUZJJVFCPHI-MRXNPFEDSA-N 2 2 341.455 3.299 20 0 EGADLP Cc1cc[nH+]c(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000347742779 456343127 /nfs/dbraw/zinc/34/31/27/456343127.db2.gz RJRAPHSDDNBWAH-UHFFFAOYSA-N 3 2 330.520 3.023 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258014 456346246 /nfs/dbraw/zinc/34/62/46/456346246.db2.gz ZDGJMWNKHOELPW-XUVXKRRUSA-N 3 2 338.499 3.494 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CCC2 ZINC000340258014 456346255 /nfs/dbraw/zinc/34/62/55/456346255.db2.gz ZDGJMWNKHOELPW-XUVXKRRUSA-N 3 2 338.499 3.494 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc3c(c2)CCO3)CC1 ZINC000290521716 456353399 /nfs/dbraw/zinc/35/33/99/456353399.db2.gz QAZJFAYSMAXIQG-UHFFFAOYSA-N 2 2 326.440 3.311 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccc3c(c2)CCO3)CC1 ZINC000290521716 456353405 /nfs/dbraw/zinc/35/34/05/456353405.db2.gz QAZJFAYSMAXIQG-UHFFFAOYSA-N 2 2 326.440 3.311 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000347787689 456368882 /nfs/dbraw/zinc/36/88/82/456368882.db2.gz XAUIKSULDMZFGB-QFBILLFUSA-N 2 2 340.467 3.401 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000347787689 456368886 /nfs/dbraw/zinc/36/88/86/456368886.db2.gz XAUIKSULDMZFGB-QFBILLFUSA-N 2 2 340.467 3.401 20 0 EGADLP FC(F)O[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337567961 456387317 /nfs/dbraw/zinc/38/73/17/456387317.db2.gz ZNCYOWNKSLPCKX-NEPJUHHUSA-N 2 2 330.341 3.153 20 0 EGADLP C[N@H+](CCCNc1cc(N2CCSCC2)nc[nH+]1)C1CCCCC1 ZINC000302793908 456402833 /nfs/dbraw/zinc/40/28/33/456402833.db2.gz NMRVBVFTYXUVPR-UHFFFAOYSA-N 2 2 349.548 3.096 20 0 EGADLP C[N@@H+](CCCNc1cc(N2CCSCC2)nc[nH+]1)C1CCCCC1 ZINC000302793908 456402843 /nfs/dbraw/zinc/40/28/43/456402843.db2.gz NMRVBVFTYXUVPR-UHFFFAOYSA-N 2 2 349.548 3.096 20 0 EGADLP C[N@H+](CCCNc1cc(N2CCSCC2)[nH+]cn1)C1CCCCC1 ZINC000302793908 456402845 /nfs/dbraw/zinc/40/28/45/456402845.db2.gz NMRVBVFTYXUVPR-UHFFFAOYSA-N 2 2 349.548 3.096 20 0 EGADLP C[N@@H+](CCCNc1cc(N2CCSCC2)[nH+]cn1)C1CCCCC1 ZINC000302793908 456402850 /nfs/dbraw/zinc/40/28/50/456402850.db2.gz NMRVBVFTYXUVPR-UHFFFAOYSA-N 2 2 349.548 3.096 20 0 EGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000352909159 456406166 /nfs/dbraw/zinc/40/61/66/456406166.db2.gz YNBLXMUPNXNGRS-VSKPTYQZSA-N 2 2 333.382 3.492 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000302841192 456415165 /nfs/dbraw/zinc/41/51/65/456415165.db2.gz LYOPUELOOYSKMQ-AWEZNQCLSA-N 2 2 331.851 3.035 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000302841192 456415168 /nfs/dbraw/zinc/41/51/68/456415168.db2.gz LYOPUELOOYSKMQ-AWEZNQCLSA-N 2 2 331.851 3.035 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)s1 ZINC000347871897 456418131 /nfs/dbraw/zinc/41/81/31/456418131.db2.gz SXCPQTWFACECKE-MRXNPFEDSA-N 2 2 330.501 3.281 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)s1 ZINC000347871897 456418137 /nfs/dbraw/zinc/41/81/37/456418137.db2.gz SXCPQTWFACECKE-MRXNPFEDSA-N 2 2 330.501 3.281 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000352929403 456421789 /nfs/dbraw/zinc/42/17/89/456421789.db2.gz GUUKPQZNQMOXLJ-TZIWHRDSSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000352929403 456421797 /nfs/dbraw/zinc/42/17/97/456421797.db2.gz GUUKPQZNQMOXLJ-TZIWHRDSSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352929403 456421801 /nfs/dbraw/zinc/42/18/01/456421801.db2.gz GUUKPQZNQMOXLJ-TZIWHRDSSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352929403 456421806 /nfs/dbraw/zinc/42/18/06/456421806.db2.gz GUUKPQZNQMOXLJ-TZIWHRDSSA-N 2 2 338.499 3.074 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340373379 456422019 /nfs/dbraw/zinc/42/20/19/456422019.db2.gz NKFNZVRMVXXTNW-AZUAARDMSA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340373379 456422022 /nfs/dbraw/zinc/42/20/22/456422022.db2.gz NKFNZVRMVXXTNW-AZUAARDMSA-N 2 2 347.466 3.192 20 0 EGADLP Cc1cccc(NCCNc2[nH+]cnc3c2cnn3-c2ccccc2)[nH+]1 ZINC000337619011 456428824 /nfs/dbraw/zinc/42/88/24/456428824.db2.gz PQNDJJAAVGHDDK-UHFFFAOYSA-N 2 2 345.410 3.043 20 0 EGADLP CCCOc1c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cccc1OCC ZINC000352982246 456428993 /nfs/dbraw/zinc/42/89/93/456428993.db2.gz KLJWJSZKTFFFTL-FUHWJXTLSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cccc1OCC ZINC000352982246 456429003 /nfs/dbraw/zinc/42/90/03/456429003.db2.gz KLJWJSZKTFFFTL-FUHWJXTLSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cccc1OCC ZINC000352982246 456429011 /nfs/dbraw/zinc/42/90/11/456429011.db2.gz KLJWJSZKTFFFTL-FUHWJXTLSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cccc1OCC ZINC000352982246 456429019 /nfs/dbraw/zinc/42/90/19/456429019.db2.gz KLJWJSZKTFFFTL-FUHWJXTLSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000302901831 456432046 /nfs/dbraw/zinc/43/20/46/456432046.db2.gz QVAWBNMVTGMQTD-GXTWGEPZSA-N 2 2 331.851 3.177 20 0 EGADLP C[C@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000302901831 456432054 /nfs/dbraw/zinc/43/20/54/456432054.db2.gz QVAWBNMVTGMQTD-GXTWGEPZSA-N 2 2 331.851 3.177 20 0 EGADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cc(-c3[nH]cc[nH+]3)ccc1C)C2 ZINC000290831755 456440705 /nfs/dbraw/zinc/44/07/05/456440705.db2.gz ICDZXDGQLAROHK-HNNXBMFYSA-N 2 2 335.411 3.091 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000303066210 456442791 /nfs/dbraw/zinc/44/27/91/456442791.db2.gz ZSEQPDMDBGMKCL-HSALFYBXSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000303066210 456442798 /nfs/dbraw/zinc/44/27/98/456442798.db2.gz ZSEQPDMDBGMKCL-HSALFYBXSA-N 2 2 349.563 3.125 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000340493673 456491670 /nfs/dbraw/zinc/49/16/70/456491670.db2.gz ALVUCNUABOQKOO-BXWFABGCSA-N 2 2 325.456 3.261 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000340493673 456491675 /nfs/dbraw/zinc/49/16/75/456491675.db2.gz ALVUCNUABOQKOO-BXWFABGCSA-N 2 2 325.456 3.261 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518324 456506028 /nfs/dbraw/zinc/50/60/28/456506028.db2.gz IDFQATMZQRGQTO-RLLQIKCJSA-N 2 2 326.488 3.160 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518324 456506029 /nfs/dbraw/zinc/50/60/29/456506029.db2.gz IDFQATMZQRGQTO-RLLQIKCJSA-N 2 2 326.488 3.160 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000291085873 456523327 /nfs/dbraw/zinc/52/33/27/456523327.db2.gz OMAIAYHEFVRYGL-UHFFFAOYSA-N 3 2 347.522 3.295 20 0 EGADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@H](C)C2CC2)c(OC)c1 ZINC000282573169 456556950 /nfs/dbraw/zinc/55/69/50/456556950.db2.gz ZTUUWAACQGBHEO-OAHLLOKOSA-N 2 2 329.444 3.201 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CCCO1 ZINC000313399148 456598207 /nfs/dbraw/zinc/59/82/07/456598207.db2.gz RJXUZDNSADRFEJ-LBPRGKRZSA-N 2 2 335.300 3.135 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CCCO1 ZINC000313399148 456598221 /nfs/dbraw/zinc/59/82/21/456598221.db2.gz RJXUZDNSADRFEJ-LBPRGKRZSA-N 2 2 335.300 3.135 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCS2 ZINC000317040026 456617181 /nfs/dbraw/zinc/61/71/81/456617181.db2.gz WCAYZGYMZZSGKQ-IIAWOOMASA-N 2 2 338.904 3.330 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCS2 ZINC000317040026 456617188 /nfs/dbraw/zinc/61/71/88/456617188.db2.gz WCAYZGYMZZSGKQ-IIAWOOMASA-N 2 2 338.904 3.330 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119595 456687507 /nfs/dbraw/zinc/68/75/07/456687507.db2.gz NIOUDAHXDVCGSE-NVXWUHKLSA-N 2 2 331.485 3.085 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119595 456687515 /nfs/dbraw/zinc/68/75/15/456687515.db2.gz NIOUDAHXDVCGSE-NVXWUHKLSA-N 2 2 331.485 3.085 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000353425164 456691208 /nfs/dbraw/zinc/69/12/08/456691208.db2.gz JEMGYLVIVSCDBM-WMZOPIPTSA-N 2 2 327.472 3.242 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000353425164 456691211 /nfs/dbraw/zinc/69/12/11/456691211.db2.gz JEMGYLVIVSCDBM-WMZOPIPTSA-N 2 2 327.472 3.242 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC(F)F ZINC000277126700 456691364 /nfs/dbraw/zinc/69/13/64/456691364.db2.gz IEHVYDRGEMHQQI-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OC(F)F ZINC000277126700 456691369 /nfs/dbraw/zinc/69/13/69/456691369.db2.gz IEHVYDRGEMHQQI-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)[C@H]3OCCc4sccc43)n2c1 ZINC000291643259 456705501 /nfs/dbraw/zinc/70/55/01/456705501.db2.gz BRYNRBDSVZOYQU-FZKQIMNGSA-N 2 2 327.453 3.496 20 0 EGADLP C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343562865 456708338 /nfs/dbraw/zinc/70/83/38/456708338.db2.gz KKGTZZJGBFYGIK-ZDUSSCGKSA-N 2 2 334.261 3.483 20 0 EGADLP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000343562865 456708344 /nfs/dbraw/zinc/70/83/44/456708344.db2.gz KKGTZZJGBFYGIK-ZDUSSCGKSA-N 2 2 334.261 3.483 20 0 EGADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544713 456749071 /nfs/dbraw/zinc/74/90/71/456749071.db2.gz QAHQTCAXRQXPRN-HKUYNNGSSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544713 456749077 /nfs/dbraw/zinc/74/90/77/456749077.db2.gz QAHQTCAXRQXPRN-HKUYNNGSSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353544713 456749081 /nfs/dbraw/zinc/74/90/81/456749081.db2.gz QAHQTCAXRQXPRN-HKUYNNGSSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544713 456749088 /nfs/dbraw/zinc/74/90/88/456749088.db2.gz QAHQTCAXRQXPRN-HKUYNNGSSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551297 456753798 /nfs/dbraw/zinc/75/37/98/456753798.db2.gz RQALUYUXLGZLJD-KZNAEPCWSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551297 456753799 /nfs/dbraw/zinc/75/37/99/456753799.db2.gz RQALUYUXLGZLJD-KZNAEPCWSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353551297 456753800 /nfs/dbraw/zinc/75/38/00/456753800.db2.gz RQALUYUXLGZLJD-KZNAEPCWSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353551297 456753801 /nfs/dbraw/zinc/75/38/01/456753801.db2.gz RQALUYUXLGZLJD-KZNAEPCWSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551296 456754079 /nfs/dbraw/zinc/75/40/79/456754079.db2.gz RQALUYUXLGZLJD-KSZLIROESA-N 2 2 349.519 3.211 20 0 EGADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551296 456754082 /nfs/dbraw/zinc/75/40/82/456754082.db2.gz RQALUYUXLGZLJD-KSZLIROESA-N 2 2 349.519 3.211 20 0 EGADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353551296 456754088 /nfs/dbraw/zinc/75/40/88/456754088.db2.gz RQALUYUXLGZLJD-KSZLIROESA-N 2 2 349.519 3.211 20 0 EGADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353551296 456754094 /nfs/dbraw/zinc/75/40/94/456754094.db2.gz RQALUYUXLGZLJD-KSZLIROESA-N 2 2 349.519 3.211 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000338296568 456754370 /nfs/dbraw/zinc/75/43/70/456754370.db2.gz NYNMVAVDVUVABI-JKIFEVAISA-N 2 2 330.501 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000338296568 456754377 /nfs/dbraw/zinc/75/43/77/456754377.db2.gz NYNMVAVDVUVABI-JKIFEVAISA-N 2 2 330.501 3.408 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n21 ZINC000353559547 456759824 /nfs/dbraw/zinc/75/98/24/456759824.db2.gz GFWBPHUNYHPULN-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)n21 ZINC000353559547 456759831 /nfs/dbraw/zinc/75/98/31/456759831.db2.gz GFWBPHUNYHPULN-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000353569901 456769395 /nfs/dbraw/zinc/76/93/95/456769395.db2.gz HPWDRLHDKVDXCP-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000353569901 456769396 /nfs/dbraw/zinc/76/93/96/456769396.db2.gz HPWDRLHDKVDXCP-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccc(-n2cccn2)cc1)Cc1ccco1 ZINC000353569901 456769397 /nfs/dbraw/zinc/76/93/97/456769397.db2.gz HPWDRLHDKVDXCP-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccc(-n2cccn2)cc1)Cc1ccco1 ZINC000353569901 456769398 /nfs/dbraw/zinc/76/93/98/456769398.db2.gz HPWDRLHDKVDXCP-UHFFFAOYSA-N 2 2 338.455 3.419 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368548 456797790 /nfs/dbraw/zinc/79/77/90/456797790.db2.gz XMDPJAWZNDACJC-RTBURBONSA-N 2 2 343.515 3.133 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368548 456797794 /nfs/dbraw/zinc/79/77/94/456797794.db2.gz XMDPJAWZNDACJC-RTBURBONSA-N 2 2 343.515 3.133 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186905 456804409 /nfs/dbraw/zinc/80/44/09/456804409.db2.gz FXZMVWHZXQHYOL-NQIIRXRSSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186905 456804413 /nfs/dbraw/zinc/80/44/13/456804413.db2.gz FXZMVWHZXQHYOL-NQIIRXRSSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000348845056 456881983 /nfs/dbraw/zinc/88/19/83/456881983.db2.gz SESDXSRPNJAWFL-GOSISDBHSA-N 2 2 326.444 3.017 20 0 EGADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2CCCOC2)c1 ZINC000349382659 456958470 /nfs/dbraw/zinc/95/84/70/456958470.db2.gz KKHUKOHJNUXQSS-QGZVFWFLSA-N 2 2 333.863 3.465 20 0 EGADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2CCCOC2)c1 ZINC000349382659 456958474 /nfs/dbraw/zinc/95/84/74/456958474.db2.gz KKHUKOHJNUXQSS-QGZVFWFLSA-N 2 2 333.863 3.465 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000353929583 456968922 /nfs/dbraw/zinc/96/89/22/456968922.db2.gz NFZIYYDERGAIDB-SFHVURJKSA-N 2 2 348.487 3.011 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1ccsc1 ZINC000345305497 456973762 /nfs/dbraw/zinc/97/37/62/456973762.db2.gz QIDTZQAGELAWKW-QITLCBANSA-N 2 2 344.484 3.027 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000354032443 457021356 /nfs/dbraw/zinc/02/13/56/457021356.db2.gz ADTYSYIUTIEOII-UHFFFAOYSA-N 2 2 344.421 3.427 20 0 EGADLP Cn1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccc(Cl)cc21 ZINC000354043623 457029726 /nfs/dbraw/zinc/02/97/26/457029726.db2.gz ANQNATJEIFKIPZ-HNNXBMFYSA-N 2 2 342.830 3.275 20 0 EGADLP Cn1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccc(Cl)cc21 ZINC000354043623 457029730 /nfs/dbraw/zinc/02/97/30/457029730.db2.gz ANQNATJEIFKIPZ-HNNXBMFYSA-N 2 2 342.830 3.275 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356525457 457036950 /nfs/dbraw/zinc/03/69/50/457036950.db2.gz MHRUFOZJFKHGAU-FXAWDEMLSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356525457 457036951 /nfs/dbraw/zinc/03/69/51/457036951.db2.gz MHRUFOZJFKHGAU-FXAWDEMLSA-N 2 2 339.483 3.133 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583245 457067486 /nfs/dbraw/zinc/06/74/86/457067486.db2.gz VHNCKALLSGVGIZ-KHCICDEESA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583245 457067491 /nfs/dbraw/zinc/06/74/91/457067491.db2.gz VHNCKALLSGVGIZ-KHCICDEESA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583245 457067497 /nfs/dbraw/zinc/06/74/97/457067497.db2.gz VHNCKALLSGVGIZ-KHCICDEESA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583245 457067502 /nfs/dbraw/zinc/06/75/02/457067502.db2.gz VHNCKALLSGVGIZ-KHCICDEESA-N 2 2 348.556 3.381 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354107117 457067658 /nfs/dbraw/zinc/06/76/58/457067658.db2.gz NWQSNNLHIGKJRR-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354107117 457067662 /nfs/dbraw/zinc/06/76/62/457067662.db2.gz NWQSNNLHIGKJRR-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354107117 457067669 /nfs/dbraw/zinc/06/76/69/457067669.db2.gz NWQSNNLHIGKJRR-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354107117 457067673 /nfs/dbraw/zinc/06/76/73/457067673.db2.gz NWQSNNLHIGKJRR-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000359302791 457072904 /nfs/dbraw/zinc/07/29/04/457072904.db2.gz IUGWMNIEWZZMOY-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000359302791 457072908 /nfs/dbraw/zinc/07/29/08/457072908.db2.gz IUGWMNIEWZZMOY-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000346657563 457097024 /nfs/dbraw/zinc/09/70/24/457097024.db2.gz OEEJYVGXYDUHBK-QWHCGFSZSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000346657563 457097027 /nfs/dbraw/zinc/09/70/27/457097027.db2.gz OEEJYVGXYDUHBK-QWHCGFSZSA-N 2 2 328.378 3.299 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435436 457117485 /nfs/dbraw/zinc/11/74/85/457117485.db2.gz AHMALMLLEDAIIO-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435436 457117491 /nfs/dbraw/zinc/11/74/91/457117491.db2.gz AHMALMLLEDAIIO-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000339435436 457117496 /nfs/dbraw/zinc/11/74/96/457117496.db2.gz AHMALMLLEDAIIO-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000339435436 457117502 /nfs/dbraw/zinc/11/75/02/457117502.db2.gz AHMALMLLEDAIIO-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339441651 457122277 /nfs/dbraw/zinc/12/22/77/457122277.db2.gz SHMVXEDNBNVFDX-OAHLLOKOSA-N 2 2 333.398 3.404 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339441651 457122284 /nfs/dbraw/zinc/12/22/84/457122284.db2.gz SHMVXEDNBNVFDX-OAHLLOKOSA-N 2 2 333.398 3.404 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203306 457126711 /nfs/dbraw/zinc/12/67/11/457126711.db2.gz AZCYKRUMCGFEJL-ICSRJNTNSA-N 2 2 345.531 3.228 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203306 457126718 /nfs/dbraw/zinc/12/67/18/457126718.db2.gz AZCYKRUMCGFEJL-ICSRJNTNSA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203306 457126723 /nfs/dbraw/zinc/12/67/23/457126723.db2.gz AZCYKRUMCGFEJL-ICSRJNTNSA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203306 457126726 /nfs/dbraw/zinc/12/67/26/457126726.db2.gz AZCYKRUMCGFEJL-ICSRJNTNSA-N 2 2 345.531 3.228 20 0 EGADLP CC(C)(C)[C@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152047 457136906 /nfs/dbraw/zinc/13/69/06/457136906.db2.gz BLKAVXFRGHMSFG-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152047 457136909 /nfs/dbraw/zinc/13/69/09/457136909.db2.gz BLKAVXFRGHMSFG-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152047 457136913 /nfs/dbraw/zinc/13/69/13/457136913.db2.gz BLKAVXFRGHMSFG-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152047 457136918 /nfs/dbraw/zinc/13/69/18/457136918.db2.gz BLKAVXFRGHMSFG-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226700 457142339 /nfs/dbraw/zinc/14/23/39/457142339.db2.gz XLQMLLVWRDWGPO-BXWFABGCSA-N 2 2 349.494 3.150 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226700 457142346 /nfs/dbraw/zinc/14/23/46/457142346.db2.gz XLQMLLVWRDWGPO-BXWFABGCSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226700 457142353 /nfs/dbraw/zinc/14/23/53/457142353.db2.gz XLQMLLVWRDWGPO-BXWFABGCSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226700 457142360 /nfs/dbraw/zinc/14/23/60/457142360.db2.gz XLQMLLVWRDWGPO-BXWFABGCSA-N 2 2 349.494 3.150 20 0 EGADLP Cc1cccn2c(CN[C@@H](C[NH+](C)C)c3ccc(F)cc3)c[nH+]c12 ZINC000342224733 457179187 /nfs/dbraw/zinc/17/91/87/457179187.db2.gz JGSHBTSBLBVFBH-SFHVURJKSA-N 2 2 326.419 3.174 20 0 EGADLP COC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000360045586 457223498 /nfs/dbraw/zinc/22/34/98/457223498.db2.gz LIIXVOUSDDTUOC-DOMZBBRYSA-N 2 2 327.350 3.268 20 0 EGADLP Clc1ccc(-n2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cn2)cc1 ZINC000347091652 457226331 /nfs/dbraw/zinc/22/63/31/457226331.db2.gz FXQOJQCPTACEGD-UHFFFAOYSA-N 2 2 344.890 3.490 20 0 EGADLP Cc1ccc(CCC[NH2+]CCc2nc3c(cccc3F)n2C)c[nH+]1 ZINC000354545109 457280471 /nfs/dbraw/zinc/28/04/71/457280471.db2.gz IAZGMAXCJMEWID-UHFFFAOYSA-N 2 2 326.419 3.181 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000360219621 457294339 /nfs/dbraw/zinc/29/43/39/457294339.db2.gz VOUQCXLGLKAGOV-QGZVFWFLSA-N 2 2 340.471 3.175 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000360219621 457294342 /nfs/dbraw/zinc/29/43/42/457294342.db2.gz VOUQCXLGLKAGOV-QGZVFWFLSA-N 2 2 340.471 3.175 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1C ZINC000354660996 457303212 /nfs/dbraw/zinc/30/32/12/457303212.db2.gz WFYQUCUSXAROPT-CZKCSJLSSA-N 2 2 344.499 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1C ZINC000354660996 457303218 /nfs/dbraw/zinc/30/32/18/457303218.db2.gz WFYQUCUSXAROPT-CZKCSJLSSA-N 2 2 344.499 3.074 20 0 EGADLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000354708284 457314415 /nfs/dbraw/zinc/31/44/15/457314415.db2.gz DSWHOIAITBWZAP-KRWDZBQOSA-N 3 2 338.499 3.148 20 0 EGADLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000354708284 457314421 /nfs/dbraw/zinc/31/44/21/457314421.db2.gz DSWHOIAITBWZAP-KRWDZBQOSA-N 3 2 338.499 3.148 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363565317 457367201 /nfs/dbraw/zinc/36/72/01/457367201.db2.gz CKXRZIQSIQKDGP-YOEHRIQHSA-N 2 2 342.443 3.015 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363565317 457367205 /nfs/dbraw/zinc/36/72/05/457367205.db2.gz CKXRZIQSIQKDGP-YOEHRIQHSA-N 2 2 342.443 3.015 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000352496662 457414794 /nfs/dbraw/zinc/41/47/94/457414794.db2.gz YCQACIVMJDXWIT-QKLQHJQFSA-N 2 2 339.483 3.274 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000352496662 457414801 /nfs/dbraw/zinc/41/48/01/457414801.db2.gz YCQACIVMJDXWIT-QKLQHJQFSA-N 2 2 339.483 3.274 20 0 EGADLP CCCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643214 457415054 /nfs/dbraw/zinc/41/50/54/457415054.db2.gz FPBONVUTSLYHGD-PKOBYXMFSA-N 2 2 326.488 3.436 20 0 EGADLP CCCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643214 457415060 /nfs/dbraw/zinc/41/50/60/457415060.db2.gz FPBONVUTSLYHGD-PKOBYXMFSA-N 2 2 326.488 3.436 20 0 EGADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000425047942 457417292 /nfs/dbraw/zinc/41/72/92/457417292.db2.gz ARISQZQJNSMKAJ-QFBILLFUSA-N 2 2 337.423 3.040 20 0 EGADLP C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000425047942 457417306 /nfs/dbraw/zinc/41/73/06/457417306.db2.gz ARISQZQJNSMKAJ-QFBILLFUSA-N 2 2 337.423 3.040 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[C@@H]1C ZINC000352518372 457434415 /nfs/dbraw/zinc/43/44/15/457434415.db2.gz HNZYNVMWTHRLCZ-OMZCVMJRSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[C@@H]1C ZINC000352518372 457434419 /nfs/dbraw/zinc/43/44/19/457434419.db2.gz HNZYNVMWTHRLCZ-OMZCVMJRSA-N 2 2 344.499 3.217 20 0 EGADLP CCc1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc(C)[nH+]1 ZINC000342657013 457434888 /nfs/dbraw/zinc/43/48/88/457434888.db2.gz FVIOVWSOQUEHEO-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)no2)[nH+]1 ZINC000369899891 457452038 /nfs/dbraw/zinc/45/20/38/457452038.db2.gz LAOODWCGTDWLGH-AWEZNQCLSA-N 2 2 339.399 3.110 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nc(-c3ccco3)no2)[nH+]1 ZINC000369899891 457452044 /nfs/dbraw/zinc/45/20/44/457452044.db2.gz LAOODWCGTDWLGH-AWEZNQCLSA-N 2 2 339.399 3.110 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(NC(C)=O)n1 ZINC000360947172 457454950 /nfs/dbraw/zinc/45/49/50/457454950.db2.gz LYUYIMOMLFARMP-ZBFHGGJFSA-N 2 2 338.521 3.092 20 0 EGADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1)O[C@H](C)C2 ZINC000393542668 457465550 /nfs/dbraw/zinc/46/55/50/457465550.db2.gz NGOAXKBAWKVGRO-CQSZACIVSA-N 2 2 332.488 3.371 20 0 EGADLP COC(=O)CCC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000360969581 457477033 /nfs/dbraw/zinc/47/70/33/457477033.db2.gz UGNUOGCQTKSMQZ-GOSISDBHSA-N 2 2 332.488 3.002 20 0 EGADLP COC(=O)CCC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000360969581 457477041 /nfs/dbraw/zinc/47/70/41/457477041.db2.gz UGNUOGCQTKSMQZ-GOSISDBHSA-N 2 2 332.488 3.002 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398034016 457495129 /nfs/dbraw/zinc/49/51/29/457495129.db2.gz OSOOQWIIMLWAMR-BJLQDIEVSA-N 2 2 345.531 3.182 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398034016 457495134 /nfs/dbraw/zinc/49/51/34/457495134.db2.gz OSOOQWIIMLWAMR-BJLQDIEVSA-N 2 2 345.531 3.182 20 0 EGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339563 457504585 /nfs/dbraw/zinc/50/45/85/457504585.db2.gz CQWJDMBJWFOLAL-KDOFPFPSSA-N 2 2 328.460 3.078 20 0 EGADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339563 457504594 /nfs/dbraw/zinc/50/45/94/457504594.db2.gz CQWJDMBJWFOLAL-KDOFPFPSSA-N 2 2 328.460 3.078 20 0 EGADLP Cc1ccc(CCCNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c[nH+]1 ZINC000361043503 457538371 /nfs/dbraw/zinc/53/83/71/457538371.db2.gz GVVPFSUHNQQRPF-HXUWFJFHSA-N 2 2 325.456 3.001 20 0 EGADLP Cc1ccc(CCCNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c[nH+]1 ZINC000361043503 457538378 /nfs/dbraw/zinc/53/83/78/457538378.db2.gz GVVPFSUHNQQRPF-HXUWFJFHSA-N 2 2 325.456 3.001 20 0 EGADLP COc1c(C[NH2+]Cc2ncc(C[NH+](C)C)s2)oc2ccccc21 ZINC000352704093 457545460 /nfs/dbraw/zinc/54/54/60/457545460.db2.gz IEXVGJXZQXQJEM-UHFFFAOYSA-N 2 2 331.441 3.249 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000356254960 457550964 /nfs/dbraw/zinc/55/09/64/457550964.db2.gz HQVGNCJRECXSER-CRAIPNDOSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000356254960 457550969 /nfs/dbraw/zinc/55/09/69/457550969.db2.gz HQVGNCJRECXSER-CRAIPNDOSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000356254960 457550975 /nfs/dbraw/zinc/55/09/75/457550975.db2.gz HQVGNCJRECXSER-CRAIPNDOSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000356254960 457550980 /nfs/dbraw/zinc/55/09/80/457550980.db2.gz HQVGNCJRECXSER-CRAIPNDOSA-N 2 2 349.544 3.299 20 0 EGADLP Cc1cccn2c(CN3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)c[nH+]c12 ZINC000342857936 457560552 /nfs/dbraw/zinc/56/05/52/457560552.db2.gz FXAHYRPTOLWCNU-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP Cc1cccn2c(CN3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)c[nH+]c12 ZINC000342857936 457560559 /nfs/dbraw/zinc/56/05/59/457560559.db2.gz FXAHYRPTOLWCNU-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c(C)c1OC ZINC000347637460 457566923 /nfs/dbraw/zinc/56/69/23/457566923.db2.gz LVMYWIRWTBHIHG-UHFFFAOYSA-N 2 2 341.455 3.038 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000352749288 457580228 /nfs/dbraw/zinc/58/02/28/457580228.db2.gz MAMGGADUZLWBAA-KGLIPLIRSA-N 2 2 341.293 3.420 20 0 EGADLP C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000357680666 457653187 /nfs/dbraw/zinc/65/31/87/457653187.db2.gz MUOODQOHIGIZAU-IFXJQAMLSA-N 2 2 325.460 3.402 20 0 EGADLP CC(C)[C@H](C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479119 457658290 /nfs/dbraw/zinc/65/82/90/457658290.db2.gz YZFHRCLFOULDSV-BAGYTPMASA-N 2 2 343.559 3.384 20 0 EGADLP CC(C)[C@H](C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479119 457658292 /nfs/dbraw/zinc/65/82/92/457658292.db2.gz YZFHRCLFOULDSV-BAGYTPMASA-N 2 2 343.559 3.384 20 0 EGADLP CC(C)[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479134 457658353 /nfs/dbraw/zinc/65/83/53/457658353.db2.gz YZFHRCLFOULDSV-HJNYFJLDSA-N 2 2 343.559 3.384 20 0 EGADLP CC(C)[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000370479134 457658357 /nfs/dbraw/zinc/65/83/57/457658357.db2.gz YZFHRCLFOULDSV-HJNYFJLDSA-N 2 2 343.559 3.384 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000370594128 457678933 /nfs/dbraw/zinc/67/89/33/457678933.db2.gz RFKXRJOWEZYCKO-QGZVFWFLSA-N 2 2 338.455 3.454 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)C12CCC[NH+]1CCC2 ZINC000370596329 457679038 /nfs/dbraw/zinc/67/90/38/457679038.db2.gz GGBDPTLTLXMWMB-UHFFFAOYSA-N 2 2 330.819 3.093 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000361305669 457686662 /nfs/dbraw/zinc/68/66/62/457686662.db2.gz OANBHJSIUJTROW-SOLBZPMBSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000361305669 457686666 /nfs/dbraw/zinc/68/66/66/457686666.db2.gz OANBHJSIUJTROW-SOLBZPMBSA-N 2 2 338.879 3.032 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000357816303 457700358 /nfs/dbraw/zinc/70/03/58/457700358.db2.gz ZAPLDFVSMNULCB-UHFFFAOYSA-N 2 2 348.450 3.043 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000357816303 457700362 /nfs/dbraw/zinc/70/03/62/457700362.db2.gz ZAPLDFVSMNULCB-UHFFFAOYSA-N 2 2 348.450 3.043 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000361349559 457702294 /nfs/dbraw/zinc/70/22/94/457702294.db2.gz WJXQDYUBOQEPSH-SQGPQFPESA-N 2 2 327.472 3.218 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000361349559 457702298 /nfs/dbraw/zinc/70/22/98/457702298.db2.gz WJXQDYUBOQEPSH-SQGPQFPESA-N 2 2 327.472 3.218 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000358039242 457747305 /nfs/dbraw/zinc/74/73/05/457747305.db2.gz URYDCCCLPVQRAB-INIZCTEOSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000358039242 457747306 /nfs/dbraw/zinc/74/73/06/457747306.db2.gz URYDCCCLPVQRAB-INIZCTEOSA-N 2 2 346.814 3.175 20 0 EGADLP C[C@@H](Nc1[nH+]c2cccc(F)c2n1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000443506040 457771977 /nfs/dbraw/zinc/77/19/77/457771977.db2.gz BPTNBNFGGYYMEA-CYBMUJFWSA-N 2 2 335.386 3.493 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762293 457842331 /nfs/dbraw/zinc/84/23/31/457842331.db2.gz AVRFQKWYWLBHDW-DVOMOZLQSA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762293 457842340 /nfs/dbraw/zinc/84/23/40/457842340.db2.gz AVRFQKWYWLBHDW-DVOMOZLQSA-N 2 2 347.894 3.362 20 0 EGADLP c1cc2[nH+]ccc(NCc3ccc(OCC[NH+]4CCCC4)cc3)c2cn1 ZINC000444088696 457849541 /nfs/dbraw/zinc/84/95/41/457849541.db2.gz ONKBHNNYFILTPM-UHFFFAOYSA-N 2 2 348.450 3.138 20 0 EGADLP Fc1cc(-c2ncco2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000411286907 457849674 /nfs/dbraw/zinc/84/96/74/457849674.db2.gz XJNRTISSUIMUOW-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1cc(-c2ncco2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000411286907 457849681 /nfs/dbraw/zinc/84/96/81/457849681.db2.gz XJNRTISSUIMUOW-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321390 457865034 /nfs/dbraw/zinc/86/50/34/457865034.db2.gz QAISICSXEXXFCR-ROUUACIJSA-N 2 2 349.906 3.205 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321390 457865038 /nfs/dbraw/zinc/86/50/38/457865038.db2.gz QAISICSXEXXFCR-ROUUACIJSA-N 2 2 349.906 3.205 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000366615925 457871082 /nfs/dbraw/zinc/87/10/82/457871082.db2.gz IIOWKFRAUGEMKM-KRWDZBQOSA-N 2 2 349.523 3.258 20 0 EGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnc4n3CCCC4)CC2)C1 ZINC000375319253 457879957 /nfs/dbraw/zinc/87/99/57/457879957.db2.gz KDOKCVPWXHGQTL-WMZOPIPTSA-N 2 2 330.520 3.352 20 0 EGADLP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3c[nH+]c4n3CCCC4)CC2)C1 ZINC000375319253 457879960 /nfs/dbraw/zinc/87/99/60/457879960.db2.gz KDOKCVPWXHGQTL-WMZOPIPTSA-N 2 2 330.520 3.352 20 0 EGADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411450455 457892328 /nfs/dbraw/zinc/89/23/28/457892328.db2.gz YPMKOXPHNSNSNA-IBGZPJMESA-N 2 2 339.487 3.138 20 0 EGADLP Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411450455 457892329 /nfs/dbraw/zinc/89/23/29/457892329.db2.gz YPMKOXPHNSNSNA-IBGZPJMESA-N 2 2 339.487 3.138 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361840961 457899992 /nfs/dbraw/zinc/89/99/92/457899992.db2.gz ACUATNHARMTZKK-LJQANCHMSA-N 2 2 341.455 3.487 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361840961 457899997 /nfs/dbraw/zinc/89/99/97/457899997.db2.gz ACUATNHARMTZKK-LJQANCHMSA-N 2 2 341.455 3.487 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C1CC1 ZINC000367090659 457926932 /nfs/dbraw/zinc/92/69/32/457926932.db2.gz BKTWUZIDCLAXMO-VQTJNVASSA-N 2 2 328.500 3.446 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C1CC1 ZINC000367090659 457926942 /nfs/dbraw/zinc/92/69/42/457926942.db2.gz BKTWUZIDCLAXMO-VQTJNVASSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358315783 457929172 /nfs/dbraw/zinc/92/91/72/457929172.db2.gz HATOSNUFFOTZIC-SJLPKXTDSA-N 2 2 341.455 3.251 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000411630702 457933444 /nfs/dbraw/zinc/93/34/44/457933444.db2.gz JUWYQBGMDDEZAV-UHFFFAOYSA-N 2 2 345.472 3.068 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccsc2c(=O)[nH]1 ZINC000411630702 457933449 /nfs/dbraw/zinc/93/34/49/457933449.db2.gz JUWYQBGMDDEZAV-UHFFFAOYSA-N 2 2 345.472 3.068 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCC(C)C ZINC000427124567 457946853 /nfs/dbraw/zinc/94/68/53/457946853.db2.gz SVDTYMAYJUWSRT-ZWKOTPCHSA-N 2 2 332.488 3.304 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCC(C)C ZINC000427124567 457946862 /nfs/dbraw/zinc/94/68/62/457946862.db2.gz SVDTYMAYJUWSRT-ZWKOTPCHSA-N 2 2 332.488 3.304 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468807 457947760 /nfs/dbraw/zinc/94/77/60/457947760.db2.gz BJESEUPUMTXLOJ-COXVUDFISA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468807 457947765 /nfs/dbraw/zinc/94/77/65/457947765.db2.gz BJESEUPUMTXLOJ-COXVUDFISA-N 2 2 326.843 3.163 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cnn1C(C)(C)C ZINC000375497605 457951454 /nfs/dbraw/zinc/95/14/54/457951454.db2.gz BBCBHILETLINOY-CQSZACIVSA-N 2 2 329.492 3.373 20 0 EGADLP COc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361983852 457991413 /nfs/dbraw/zinc/99/14/13/457991413.db2.gz WCFRRWSZJRYSNM-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP Clc1cccc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000434544050 458016203 /nfs/dbraw/zinc/01/62/03/458016203.db2.gz KKPWOBHYBSEALS-AWEZNQCLSA-N 2 2 343.298 3.190 20 0 EGADLP Clc1cccc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000434544050 458016209 /nfs/dbraw/zinc/01/62/09/458016209.db2.gz KKPWOBHYBSEALS-AWEZNQCLSA-N 2 2 343.298 3.190 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434797751 458053691 /nfs/dbraw/zinc/05/36/91/458053691.db2.gz ZRUUEOCEEVCJSY-GOSISDBHSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434797751 458053695 /nfs/dbraw/zinc/05/36/95/458053695.db2.gz ZRUUEOCEEVCJSY-GOSISDBHSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000428362852 458128735 /nfs/dbraw/zinc/12/87/35/458128735.db2.gz JTIZMYUSPKCYPO-INIZCTEOSA-N 2 2 333.524 3.405 20 0 EGADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000428362852 458128741 /nfs/dbraw/zinc/12/87/41/458128741.db2.gz JTIZMYUSPKCYPO-INIZCTEOSA-N 2 2 333.524 3.405 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435387144 458132508 /nfs/dbraw/zinc/13/25/08/458132508.db2.gz XKMBMIQHHAXKHZ-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000435387144 458132513 /nfs/dbraw/zinc/13/25/13/458132513.db2.gz XKMBMIQHHAXKHZ-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358657723 458133260 /nfs/dbraw/zinc/13/32/60/458133260.db2.gz CWAGKQJZWBZMDR-OAHLLOKOSA-N 2 2 344.890 3.315 20 0 EGADLP Oc1cc(F)cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435392490 458136452 /nfs/dbraw/zinc/13/64/52/458136452.db2.gz WRDXVPKCHDWNJM-GOSISDBHSA-N 2 2 329.419 3.071 20 0 EGADLP Oc1cc(F)cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435392490 458136457 /nfs/dbraw/zinc/13/64/57/458136457.db2.gz WRDXVPKCHDWNJM-GOSISDBHSA-N 2 2 329.419 3.071 20 0 EGADLP C[C@H](CCc1cccn1C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358713238 458165125 /nfs/dbraw/zinc/16/51/25/458165125.db2.gz KBEAZBOZYQEXFO-CQSZACIVSA-N 2 2 331.426 3.353 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cs2)c1 ZINC000435619650 458173601 /nfs/dbraw/zinc/17/36/01/458173601.db2.gz ZMWAYZYHTOKBMC-MRXNPFEDSA-N 2 2 331.485 3.393 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cs2)c1 ZINC000435619650 458173607 /nfs/dbraw/zinc/17/36/07/458173607.db2.gz ZMWAYZYHTOKBMC-MRXNPFEDSA-N 2 2 331.485 3.393 20 0 EGADLP CC[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369334847 458176271 /nfs/dbraw/zinc/17/62/71/458176271.db2.gz JEWNDFRUIQKCAH-UYAOXDASSA-N 2 2 349.563 3.220 20 0 EGADLP CC[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369334847 458176277 /nfs/dbraw/zinc/17/62/77/458176277.db2.gz JEWNDFRUIQKCAH-UYAOXDASSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376145347 458212082 /nfs/dbraw/zinc/21/20/82/458212082.db2.gz ALQKWSJDZYKOOQ-LJQANCHMSA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376145347 458212086 /nfs/dbraw/zinc/21/20/86/458212086.db2.gz ALQKWSJDZYKOOQ-LJQANCHMSA-N 2 2 346.906 3.384 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000435884654 458218567 /nfs/dbraw/zinc/21/85/67/458218567.db2.gz VMVPXPGENADZII-OAQYLSRUSA-N 2 2 340.467 3.261 20 0 EGADLP C[NH2+]CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000435884654 458218572 /nfs/dbraw/zinc/21/85/72/458218572.db2.gz VMVPXPGENADZII-OAQYLSRUSA-N 2 2 340.467 3.261 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000412557226 458233111 /nfs/dbraw/zinc/23/31/11/458233111.db2.gz IBBZMAKRNXSHSI-IBGZPJMESA-N 2 2 341.430 3.100 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000412557226 458233116 /nfs/dbraw/zinc/23/31/16/458233116.db2.gz IBBZMAKRNXSHSI-IBGZPJMESA-N 2 2 341.430 3.100 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446884429 458242421 /nfs/dbraw/zinc/24/24/21/458242421.db2.gz OGMYMMCLGUXKJY-HXUWFJFHSA-N 3 2 327.516 3.115 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000446884429 458242431 /nfs/dbraw/zinc/24/24/31/458242431.db2.gz OGMYMMCLGUXKJY-HXUWFJFHSA-N 3 2 327.516 3.115 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000429154431 458282355 /nfs/dbraw/zinc/28/23/55/458282355.db2.gz KSUZAIGMEFWYGH-HUUCEWRRSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000429154431 458282359 /nfs/dbraw/zinc/28/23/59/458282359.db2.gz KSUZAIGMEFWYGH-HUUCEWRRSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000429154431 458282363 /nfs/dbraw/zinc/28/23/63/458282363.db2.gz KSUZAIGMEFWYGH-HUUCEWRRSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000429154431 458282368 /nfs/dbraw/zinc/28/23/68/458282368.db2.gz KSUZAIGMEFWYGH-HUUCEWRRSA-N 2 2 339.886 3.474 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000436414896 458302095 /nfs/dbraw/zinc/30/20/95/458302095.db2.gz RRVZQGMFLBIMJQ-SGTLLEGYSA-N 2 2 328.391 3.050 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)o1 ZINC000447545527 458309265 /nfs/dbraw/zinc/30/92/65/458309265.db2.gz XKLFAWAFROZEGB-LRQRDZAKSA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)o1 ZINC000447545527 458309267 /nfs/dbraw/zinc/30/92/67/458309267.db2.gz XKLFAWAFROZEGB-LRQRDZAKSA-N 2 2 342.483 3.430 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459301315 458321626 /nfs/dbraw/zinc/32/16/26/458321626.db2.gz CRHSFFGKHSJNHS-UHFFFAOYSA-N 2 2 332.517 3.498 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459301315 458321635 /nfs/dbraw/zinc/32/16/35/458321635.db2.gz CRHSFFGKHSJNHS-UHFFFAOYSA-N 2 2 332.517 3.498 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000414889173 458326345 /nfs/dbraw/zinc/32/63/45/458326345.db2.gz FZPIHWMIYVAKDC-QZTJIDSGSA-N 2 2 344.430 3.078 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429408943 458330638 /nfs/dbraw/zinc/33/06/38/458330638.db2.gz XJQMCBBSRTWCRW-KRWDZBQOSA-N 2 2 338.499 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000429408943 458330640 /nfs/dbraw/zinc/33/06/40/458330640.db2.gz XJQMCBBSRTWCRW-KRWDZBQOSA-N 2 2 338.499 3.487 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459341823 458336265 /nfs/dbraw/zinc/33/62/65/458336265.db2.gz FMHDNCOJVFHJPJ-MRXNPFEDSA-N 2 2 340.471 3.013 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459341823 458336269 /nfs/dbraw/zinc/33/62/69/458336269.db2.gz FMHDNCOJVFHJPJ-MRXNPFEDSA-N 2 2 340.471 3.013 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548381 458342798 /nfs/dbraw/zinc/34/27/98/458342798.db2.gz MQJPCDZBRCRLLS-UXHICEINSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548381 458342800 /nfs/dbraw/zinc/34/28/00/458342800.db2.gz MQJPCDZBRCRLLS-UXHICEINSA-N 2 2 345.531 3.306 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000459364797 458345855 /nfs/dbraw/zinc/34/58/55/458345855.db2.gz AMISRDRWPUXYBV-CYBMUJFWSA-N 2 2 328.391 3.123 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000459364797 458345859 /nfs/dbraw/zinc/34/58/59/458345859.db2.gz AMISRDRWPUXYBV-CYBMUJFWSA-N 2 2 328.391 3.123 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCS2 ZINC000372920829 458349102 /nfs/dbraw/zinc/34/91/02/458349102.db2.gz DCVCVYVGMHEMGY-SOLBZPMBSA-N 2 2 332.513 3.293 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCS2 ZINC000372920829 458349106 /nfs/dbraw/zinc/34/91/06/458349106.db2.gz DCVCVYVGMHEMGY-SOLBZPMBSA-N 2 2 332.513 3.293 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCS2 ZINC000372920828 458349137 /nfs/dbraw/zinc/34/91/37/458349137.db2.gz DCVCVYVGMHEMGY-LZLYRXPVSA-N 2 2 332.513 3.293 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCS2 ZINC000372920828 458349140 /nfs/dbraw/zinc/34/91/40/458349140.db2.gz DCVCVYVGMHEMGY-LZLYRXPVSA-N 2 2 332.513 3.293 20 0 EGADLP COc1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000429717171 458362510 /nfs/dbraw/zinc/36/25/10/458362510.db2.gz QHBZYDQRKBIQRB-UHFFFAOYSA-N 2 2 326.440 3.485 20 0 EGADLP c1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n(-c2ccccc2)n1 ZINC000447936265 458368619 /nfs/dbraw/zinc/36/86/19/458368619.db2.gz NQSWMNBRFQVCIK-UHFFFAOYSA-N 2 2 329.407 3.348 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000373115596 458401004 /nfs/dbraw/zinc/40/10/04/458401004.db2.gz MHIIRQGSCPGSGG-KRWDZBQOSA-N 2 2 348.450 3.391 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000373115596 458401007 /nfs/dbraw/zinc/40/10/07/458401007.db2.gz MHIIRQGSCPGSGG-KRWDZBQOSA-N 2 2 348.450 3.391 20 0 EGADLP Fc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000437091910 458425950 /nfs/dbraw/zinc/42/59/50/458425950.db2.gz REHVFDWEIMOOSM-LJQANCHMSA-N 2 2 341.430 3.299 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000423431299 458430965 /nfs/dbraw/zinc/43/09/65/458430965.db2.gz QINYDTJFRXBNDZ-XKGZKEIXSA-N 2 2 344.499 3.365 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000373224915 458435848 /nfs/dbraw/zinc/43/58/48/458435848.db2.gz AMONSIFBIXLSRP-AWEZNQCLSA-N 2 2 341.484 3.386 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000373224915 458435853 /nfs/dbraw/zinc/43/58/53/458435853.db2.gz AMONSIFBIXLSRP-AWEZNQCLSA-N 2 2 341.484 3.386 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]CCc3cn(C)c[nH+]3)cc2)cs1 ZINC000459659518 458439150 /nfs/dbraw/zinc/43/91/50/458439150.db2.gz KKZRMSDAPGOSBT-UHFFFAOYSA-N 2 2 342.468 3.096 20 0 EGADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423516015 458448553 /nfs/dbraw/zinc/44/85/53/458448553.db2.gz AKTDXGRMXOAKNK-WSTZPKSXSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000423557948 458456650 /nfs/dbraw/zinc/45/66/50/458456650.db2.gz IQEJTLFISLRPMV-INIZCTEOSA-N 3 2 329.513 3.392 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430561848 458462153 /nfs/dbraw/zinc/46/21/53/458462153.db2.gz AWOMPJGQVAFRFW-MRXNPFEDSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430561848 458462155 /nfs/dbraw/zinc/46/21/55/458462155.db2.gz AWOMPJGQVAFRFW-MRXNPFEDSA-N 2 2 339.439 3.231 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564938 458462783 /nfs/dbraw/zinc/46/27/83/458462783.db2.gz NNUCRHWOHYMEOT-KGLIPLIRSA-N 2 2 349.475 3.420 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564938 458462785 /nfs/dbraw/zinc/46/27/85/458462785.db2.gz NNUCRHWOHYMEOT-KGLIPLIRSA-N 2 2 349.475 3.420 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000430576545 458465720 /nfs/dbraw/zinc/46/57/20/458465720.db2.gz MOQBRYAWBIYYQM-WBVHZDCISA-N 2 2 345.487 3.257 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000430576545 458465724 /nfs/dbraw/zinc/46/57/24/458465724.db2.gz MOQBRYAWBIYYQM-WBVHZDCISA-N 2 2 345.487 3.257 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578057 458465750 /nfs/dbraw/zinc/46/57/50/458465750.db2.gz OZGBCJBUBKVDKE-SNVBAGLBSA-N 2 2 342.365 3.475 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578057 458465753 /nfs/dbraw/zinc/46/57/53/458465753.db2.gz OZGBCJBUBKVDKE-SNVBAGLBSA-N 2 2 342.365 3.475 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000430585451 458466807 /nfs/dbraw/zinc/46/68/07/458466807.db2.gz SKDJNPYLEKBEOK-RWMBFGLXSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000430585451 458466810 /nfs/dbraw/zinc/46/68/10/458466810.db2.gz SKDJNPYLEKBEOK-RWMBFGLXSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599410 458469197 /nfs/dbraw/zinc/46/91/97/458469197.db2.gz QEJCAPVZSWMGEY-JSGCOSHPSA-N 2 2 345.468 3.098 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599410 458469200 /nfs/dbraw/zinc/46/92/00/458469200.db2.gz QEJCAPVZSWMGEY-JSGCOSHPSA-N 2 2 345.468 3.098 20 0 EGADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430614665 458471484 /nfs/dbraw/zinc/47/14/84/458471484.db2.gz ZQVLPKJBIDWOOI-QGZVFWFLSA-N 2 2 339.439 3.101 20 0 EGADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430614665 458471489 /nfs/dbraw/zinc/47/14/89/458471489.db2.gz ZQVLPKJBIDWOOI-QGZVFWFLSA-N 2 2 339.439 3.101 20 0 EGADLP C[C@H](Cc1ccccc1F)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000437789193 458493568 /nfs/dbraw/zinc/49/35/68/458493568.db2.gz VIJLWDHGJHOOCE-CRAIPNDOSA-N 2 2 342.462 3.404 20 0 EGADLP CC(C)n1ccnc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335672 458496492 /nfs/dbraw/zinc/49/64/92/458496492.db2.gz HRXLUOOTEBGEAU-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335672 458496495 /nfs/dbraw/zinc/49/64/95/458496495.db2.gz HRXLUOOTEBGEAU-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335672 458496500 /nfs/dbraw/zinc/49/65/00/458496500.db2.gz HRXLUOOTEBGEAU-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335672 458496503 /nfs/dbraw/zinc/49/65/03/458496503.db2.gz HRXLUOOTEBGEAU-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423868714 458501916 /nfs/dbraw/zinc/50/19/16/458501916.db2.gz HXDMWQINXPYKLC-QFBILLFUSA-N 2 2 342.487 3.020 20 0 EGADLP CCC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC[NH2+]C1 ZINC000430933542 458507556 /nfs/dbraw/zinc/50/75/56/458507556.db2.gz IPGGSWHWAYKWJO-HNNXBMFYSA-N 2 2 334.851 3.006 20 0 EGADLP CCC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC[NH2+]C1 ZINC000430933542 458507559 /nfs/dbraw/zinc/50/75/59/458507559.db2.gz IPGGSWHWAYKWJO-HNNXBMFYSA-N 2 2 334.851 3.006 20 0 EGADLP COC(=O)[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000438119892 458537583 /nfs/dbraw/zinc/53/75/83/458537583.db2.gz QINAVUVDELQSFX-WMLDXEAASA-N 2 2 347.846 3.224 20 0 EGADLP COC(=O)[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000438119892 458537586 /nfs/dbraw/zinc/53/75/86/458537586.db2.gz QINAVUVDELQSFX-WMLDXEAASA-N 2 2 347.846 3.224 20 0 EGADLP Cc1cc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000424060454 458547716 /nfs/dbraw/zinc/54/77/16/458547716.db2.gz QAHVBKIXZIBBQM-UHFFFAOYSA-N 2 2 337.467 3.171 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)/C=C\c2[nH]cc[nH+]2)c2cccs2)CC1 ZINC000493771853 458561417 /nfs/dbraw/zinc/56/14/17/458561417.db2.gz OFKIGSPRWSFHCN-XVWMLYKFSA-N 2 2 344.484 3.074 20 0 EGADLP Cc1cccc2[nH+]c(CNC(=O)CC[C@H]([NH3+])CC3CCCCC3)cn21 ZINC000424147567 458570579 /nfs/dbraw/zinc/57/05/79/458570579.db2.gz RQHRSLSSXRTPOW-KRWDZBQOSA-N 2 2 342.487 3.337 20 0 EGADLP [NH3+][C@@H](CCC(=O)N1CCC(n2cc[nH+]c2)CC1)CC1CCCCC1 ZINC000424153545 458572982 /nfs/dbraw/zinc/57/29/82/458572982.db2.gz KDFKCJGYDFFWRL-KRWDZBQOSA-N 2 2 332.492 3.125 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000493933662 458602494 /nfs/dbraw/zinc/60/24/94/458602494.db2.gz DVXYJNZFCTWFLE-KJWYOANISA-N 2 2 329.488 3.043 20 0 EGADLP COCC(C)(C)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000494144141 458632453 /nfs/dbraw/zinc/63/24/53/458632453.db2.gz FBMKCJJUQGGDNG-QGZVFWFLSA-N 2 2 334.504 3.149 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000456391190 458659333 /nfs/dbraw/zinc/65/93/33/458659333.db2.gz PKUVYQJPFYDLRD-WFASDCNBSA-N 2 2 334.851 3.037 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462841356 458661798 /nfs/dbraw/zinc/66/17/98/458661798.db2.gz ZJTJYAVJHDEVHI-BVYCBKJFSA-N 2 2 338.495 3.354 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462841356 458661805 /nfs/dbraw/zinc/66/18/05/458661805.db2.gz ZJTJYAVJHDEVHI-BVYCBKJFSA-N 2 2 338.495 3.354 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCCC(C)C ZINC000494446125 458678432 /nfs/dbraw/zinc/67/84/32/458678432.db2.gz UBPMSQWWSCOXOQ-KRWDZBQOSA-N 2 2 343.471 3.421 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061951 458690853 /nfs/dbraw/zinc/69/08/53/458690853.db2.gz HUERBJYDIHFRMA-KRWDZBQOSA-N 2 2 335.467 3.349 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061951 458690861 /nfs/dbraw/zinc/69/08/61/458690861.db2.gz HUERBJYDIHFRMA-KRWDZBQOSA-N 2 2 335.467 3.349 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061951 458690868 /nfs/dbraw/zinc/69/08/68/458690868.db2.gz HUERBJYDIHFRMA-KRWDZBQOSA-N 2 2 335.467 3.349 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000503061951 458690874 /nfs/dbraw/zinc/69/08/74/458690874.db2.gz HUERBJYDIHFRMA-KRWDZBQOSA-N 2 2 335.467 3.349 20 0 EGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503101678 458691957 /nfs/dbraw/zinc/69/19/57/458691957.db2.gz IXJYWXMRYVLERC-FPOVZHCZSA-N 2 2 330.516 3.300 20 0 EGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503101678 458691962 /nfs/dbraw/zinc/69/19/62/458691962.db2.gz IXJYWXMRYVLERC-FPOVZHCZSA-N 2 2 330.516 3.300 20 0 EGADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713327 458737331 /nfs/dbraw/zinc/73/73/31/458737331.db2.gz VSNUTLILYRDLGG-HUUCEWRRSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713327 458737339 /nfs/dbraw/zinc/73/73/39/458737339.db2.gz VSNUTLILYRDLGG-HUUCEWRRSA-N 2 2 344.459 3.069 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000471834600 458739917 /nfs/dbraw/zinc/73/99/17/458739917.db2.gz SOSHVEJUBDAANK-ZWKOTPCHSA-N 2 2 340.471 3.119 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000471834600 458739925 /nfs/dbraw/zinc/73/99/25/458739925.db2.gz SOSHVEJUBDAANK-ZWKOTPCHSA-N 2 2 340.471 3.119 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1Oc1cccnc1 ZINC000547642666 458766707 /nfs/dbraw/zinc/76/67/07/458766707.db2.gz INXMWXDMPWSVJL-QGZVFWFLSA-N 2 2 334.423 3.483 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000472351671 458790869 /nfs/dbraw/zinc/79/08/69/458790869.db2.gz XDNFHTWXDKCSMI-WMZOPIPTSA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000472351671 458790872 /nfs/dbraw/zinc/79/08/72/458790872.db2.gz XDNFHTWXDKCSMI-WMZOPIPTSA-N 2 2 348.441 3.450 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c[nH+]1 ZINC000456837380 458795275 /nfs/dbraw/zinc/79/52/75/458795275.db2.gz KSTVWAGWAODIOG-LJQANCHMSA-N 2 2 341.430 3.118 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c[nH+]1 ZINC000456837380 458795279 /nfs/dbraw/zinc/79/52/79/458795279.db2.gz KSTVWAGWAODIOG-LJQANCHMSA-N 2 2 341.430 3.118 20 0 EGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000472588762 458804061 /nfs/dbraw/zinc/80/40/61/458804061.db2.gz GGXHPSGWKZVQTK-HNNXBMFYSA-N 2 2 340.870 3.066 20 0 EGADLP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000472588762 458804070 /nfs/dbraw/zinc/80/40/70/458804070.db2.gz GGXHPSGWKZVQTK-HNNXBMFYSA-N 2 2 340.870 3.066 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902403 458810371 /nfs/dbraw/zinc/81/03/71/458810371.db2.gz KUWVXPRQBOTUCJ-UFYCRDLUSA-N 2 2 348.556 3.397 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902403 458810375 /nfs/dbraw/zinc/81/03/75/458810375.db2.gz KUWVXPRQBOTUCJ-UFYCRDLUSA-N 2 2 348.556 3.397 20 0 EGADLP C[C@@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000495433696 458855802 /nfs/dbraw/zinc/85/58/02/458855802.db2.gz IWMMGGBJPWYAAA-CABCVRRESA-N 2 2 336.480 3.069 20 0 EGADLP C[C@@H]1CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000495433696 458855809 /nfs/dbraw/zinc/85/58/09/458855809.db2.gz IWMMGGBJPWYAAA-CABCVRRESA-N 2 2 336.480 3.069 20 0 EGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000474384256 458882221 /nfs/dbraw/zinc/88/22/21/458882221.db2.gz JKPGCVIZZJDLEU-FXAWDEMLSA-N 2 2 331.504 3.364 20 0 EGADLP C[N@H+](CCCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000457167540 458887511 /nfs/dbraw/zinc/88/75/11/458887511.db2.gz BDIVZVKRLZGINV-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP C[N@@H+](CCCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000457167540 458887514 /nfs/dbraw/zinc/88/75/14/458887514.db2.gz BDIVZVKRLZGINV-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631650 458902926 /nfs/dbraw/zinc/90/29/26/458902926.db2.gz RLHCCUQAQLZBQA-GJZGRUSLSA-N 2 2 344.459 3.212 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631650 458902931 /nfs/dbraw/zinc/90/29/31/458902931.db2.gz RLHCCUQAQLZBQA-GJZGRUSLSA-N 2 2 344.459 3.212 20 0 EGADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631652 458903131 /nfs/dbraw/zinc/90/31/31/458903131.db2.gz RLHCCUQAQLZBQA-LSDHHAIUSA-N 2 2 344.459 3.212 20 0 EGADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631652 458903136 /nfs/dbraw/zinc/90/31/36/458903136.db2.gz RLHCCUQAQLZBQA-LSDHHAIUSA-N 2 2 344.459 3.212 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329380 458919145 /nfs/dbraw/zinc/91/91/45/458919145.db2.gz XMNWNNQBVHYTMT-LPHOPBHVSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329380 458919150 /nfs/dbraw/zinc/91/91/50/458919150.db2.gz XMNWNNQBVHYTMT-LPHOPBHVSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441329380 458919155 /nfs/dbraw/zinc/91/91/55/458919155.db2.gz XMNWNNQBVHYTMT-LPHOPBHVSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441329380 458919159 /nfs/dbraw/zinc/91/91/59/458919159.db2.gz XMNWNNQBVHYTMT-LPHOPBHVSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329382 458919728 /nfs/dbraw/zinc/91/97/28/458919728.db2.gz XMNWNNQBVHYTMT-VQIMIIECSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329382 458919733 /nfs/dbraw/zinc/91/97/33/458919733.db2.gz XMNWNNQBVHYTMT-VQIMIIECSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441329382 458919737 /nfs/dbraw/zinc/91/97/37/458919737.db2.gz XMNWNNQBVHYTMT-VQIMIIECSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441329382 458919743 /nfs/dbraw/zinc/91/97/43/458919743.db2.gz XMNWNNQBVHYTMT-VQIMIIECSA-N 2 2 331.504 3.382 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000466906241 458931804 /nfs/dbraw/zinc/93/18/04/458931804.db2.gz JXGKOCVGXQPXQC-BVYCBKJFSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000466906241 458931812 /nfs/dbraw/zinc/93/18/12/458931812.db2.gz JXGKOCVGXQPXQC-BVYCBKJFSA-N 2 2 338.495 3.151 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000566438846 458933235 /nfs/dbraw/zinc/93/32/35/458933235.db2.gz UGFSKQDRSCJJGE-GDBMZVCRSA-N 2 2 346.862 3.072 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000475630686 458955413 /nfs/dbraw/zinc/95/54/13/458955413.db2.gz IDWUPBAHGDWRKT-CJNGLKHVSA-N 2 2 330.394 3.100 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000475630686 458955421 /nfs/dbraw/zinc/95/54/21/458955421.db2.gz IDWUPBAHGDWRKT-CJNGLKHVSA-N 2 2 330.394 3.100 20 0 EGADLP CCCC[C@@H](COC)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000532233179 459050754 /nfs/dbraw/zinc/05/07/54/459050754.db2.gz UPEOHSSXGFTBOG-SFHVURJKSA-N 2 2 326.525 3.064 20 0 EGADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1C ZINC000567179451 459060857 /nfs/dbraw/zinc/06/08/57/459060857.db2.gz FYVLZBRPKYZQQP-LJQANCHMSA-N 2 2 341.499 3.471 20 0 EGADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1C ZINC000567179451 459060867 /nfs/dbraw/zinc/06/08/67/459060867.db2.gz FYVLZBRPKYZQQP-LJQANCHMSA-N 2 2 341.499 3.471 20 0 EGADLP CCCCc1noc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000589999725 459064491 /nfs/dbraw/zinc/06/44/91/459064491.db2.gz WCMPSSFOZYFQBU-UHFFFAOYSA-N 2 2 330.476 3.496 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1O ZINC000443014180 459074894 /nfs/dbraw/zinc/07/48/94/459074894.db2.gz PJSWPBVGTLYAFO-YWZLYKJASA-N 2 2 328.456 3.490 20 0 EGADLP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000520623508 459079560 /nfs/dbraw/zinc/07/95/60/459079560.db2.gz QWZAMXZMAPPCQL-FXAWDEMLSA-N 2 2 340.467 3.333 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000532452053 459090435 /nfs/dbraw/zinc/09/04/35/459090435.db2.gz OCBOJHPMYPLUOL-AWEZNQCLSA-N 2 2 334.423 3.112 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000520833274 459098720 /nfs/dbraw/zinc/09/87/20/459098720.db2.gz UBSKQWXLTTWHHH-PXNSSMCTSA-N 2 2 330.447 3.012 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000520833274 459098723 /nfs/dbraw/zinc/09/87/23/459098723.db2.gz UBSKQWXLTTWHHH-PXNSSMCTSA-N 2 2 330.447 3.012 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000567641272 459138447 /nfs/dbraw/zinc/13/84/47/459138447.db2.gz PWPJIGNIUQRMKK-SKDZVZGDSA-N 2 2 334.460 3.333 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532762821 459139928 /nfs/dbraw/zinc/13/99/28/459139928.db2.gz AGRZRWNTVQNMQX-QMMLZNLJSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532762821 459139930 /nfs/dbraw/zinc/13/99/30/459139930.db2.gz AGRZRWNTVQNMQX-QMMLZNLJSA-N 2 2 330.516 3.428 20 0 EGADLP Cc1[nH+]ccn1-c1cncc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000521398335 459148154 /nfs/dbraw/zinc/14/81/54/459148154.db2.gz PYTUCCBIIXVBKH-UHFFFAOYSA-N 2 2 334.423 3.075 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031609 459179059 /nfs/dbraw/zinc/17/90/59/459179059.db2.gz YDEVSMNVDAATGI-PXNSSMCTSA-N 2 2 334.504 3.481 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031609 459179066 /nfs/dbraw/zinc/17/90/66/459179066.db2.gz YDEVSMNVDAATGI-PXNSSMCTSA-N 2 2 334.504 3.481 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000558715782 459202997 /nfs/dbraw/zinc/20/29/97/459202997.db2.gz NCZRHWNCXMDVAO-OAHLLOKOSA-N 2 2 325.412 3.088 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000558715782 459203002 /nfs/dbraw/zinc/20/30/02/459203002.db2.gz NCZRHWNCXMDVAO-OAHLLOKOSA-N 2 2 325.412 3.088 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000496641699 459270010 /nfs/dbraw/zinc/27/00/10/459270010.db2.gz JDXFVBFAUSHBFD-UHFFFAOYSA-N 2 2 325.412 3.069 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865797 459274795 /nfs/dbraw/zinc/27/47/95/459274795.db2.gz AZRQEOBNONMLDK-WBVHZDCISA-N 2 2 348.450 3.390 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865797 459274799 /nfs/dbraw/zinc/27/47/99/459274799.db2.gz AZRQEOBNONMLDK-WBVHZDCISA-N 2 2 348.450 3.390 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](CO)c3ccc(C(F)(F)F)cc3)n2c1 ZINC000533892196 459275756 /nfs/dbraw/zinc/27/57/56/459275756.db2.gz ICQLTOCPYPPPPF-INIZCTEOSA-N 2 2 349.356 3.485 20 0 EGADLP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[NH2+]C2)c1)c1ccccc1Cl ZINC000582050143 459298797 /nfs/dbraw/zinc/29/87/97/459298797.db2.gz NXNQURYZDJXUMY-MRXNPFEDSA-N 2 2 343.858 3.434 20 0 EGADLP Cc1nnsc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000582125083 459312864 /nfs/dbraw/zinc/31/28/64/459312864.db2.gz GFJUOMIKRZFSFL-ZIAGYGMSSA-N 2 2 330.501 3.093 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000582181811 459321761 /nfs/dbraw/zinc/32/17/61/459321761.db2.gz SIFXZAIOKXBMLW-JSGCOSHPSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000582181811 459321769 /nfs/dbraw/zinc/32/17/69/459321769.db2.gz SIFXZAIOKXBMLW-JSGCOSHPSA-N 2 2 334.851 3.046 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000534548951 459332881 /nfs/dbraw/zinc/33/28/81/459332881.db2.gz FKNRVFRXQWJOML-RMKNXTFCSA-N 2 2 337.467 3.230 20 0 EGADLP CC(C)(C)OC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552489 459343880 /nfs/dbraw/zinc/34/38/80/459343880.db2.gz WZACYJBVLAPTQW-UHFFFAOYSA-N 2 2 329.444 3.159 20 0 EGADLP C[NH+](C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901183 459363712 /nfs/dbraw/zinc/36/37/12/459363712.db2.gz OMVSQQKAAUBDKL-OWCLPIDISA-N 2 2 329.410 3.168 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496904859 459364075 /nfs/dbraw/zinc/36/40/75/459364075.db2.gz WREWIPVAGNEOJX-DLBZAZTESA-N 2 2 333.476 3.358 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017622 459382583 /nfs/dbraw/zinc/38/25/83/459382583.db2.gz NYBYUGKJERBOFG-FQEVSTJZSA-N 2 2 342.483 3.010 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017622 459382593 /nfs/dbraw/zinc/38/25/93/459382593.db2.gz NYBYUGKJERBOFG-FQEVSTJZSA-N 2 2 342.483 3.010 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017622 459382601 /nfs/dbraw/zinc/38/26/01/459382601.db2.gz NYBYUGKJERBOFG-FQEVSTJZSA-N 2 2 342.483 3.010 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000569017622 459382610 /nfs/dbraw/zinc/38/26/10/459382610.db2.gz NYBYUGKJERBOFG-FQEVSTJZSA-N 2 2 342.483 3.010 20 0 EGADLP CSCc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000591767338 459431447 /nfs/dbraw/zinc/43/14/47/459431447.db2.gz DKFOHNPDZGTMAK-HXUWFJFHSA-N 2 2 344.524 3.132 20 0 EGADLP CSCc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000591767338 459431451 /nfs/dbraw/zinc/43/14/51/459431451.db2.gz DKFOHNPDZGTMAK-HXUWFJFHSA-N 2 2 344.524 3.132 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464646 459456480 /nfs/dbraw/zinc/45/64/80/459456480.db2.gz SGFQRTNBCRSSPE-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464646 459456487 /nfs/dbraw/zinc/45/64/87/459456487.db2.gz SGFQRTNBCRSSPE-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000569464646 459456490 /nfs/dbraw/zinc/45/64/90/459456490.db2.gz SGFQRTNBCRSSPE-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000569464646 459456497 /nfs/dbraw/zinc/45/64/97/459456497.db2.gz SGFQRTNBCRSSPE-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867987 459459278 /nfs/dbraw/zinc/45/92/78/459459278.db2.gz VNHMGGXIVGSWRN-AZUAARDMSA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867987 459459287 /nfs/dbraw/zinc/45/92/87/459459287.db2.gz VNHMGGXIVGSWRN-AZUAARDMSA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867988 459460345 /nfs/dbraw/zinc/46/03/45/459460345.db2.gz VNHMGGXIVGSWRN-ICSRJNTNSA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591867988 459460349 /nfs/dbraw/zinc/46/03/49/459460349.db2.gz VNHMGGXIVGSWRN-ICSRJNTNSA-N 2 2 340.471 3.034 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000595895620 459479915 /nfs/dbraw/zinc/47/99/15/459479915.db2.gz QPYCQFFXRDOIQM-IRXDYDNUSA-N 2 2 336.863 3.018 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618068 459482668 /nfs/dbraw/zinc/48/26/68/459482668.db2.gz BUAXXFCLZNGIPO-QFBILLFUSA-N 2 2 349.478 3.262 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618068 459482674 /nfs/dbraw/zinc/48/26/74/459482674.db2.gz BUAXXFCLZNGIPO-QFBILLFUSA-N 2 2 349.478 3.262 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC000595913162 459484498 /nfs/dbraw/zinc/48/44/98/459484498.db2.gz CGXYARSDCBSGGR-SFHVURJKSA-N 2 2 341.455 3.133 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC000595913162 459484502 /nfs/dbraw/zinc/48/45/02/459484502.db2.gz CGXYARSDCBSGGR-SFHVURJKSA-N 2 2 341.455 3.133 20 0 EGADLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735640 459485246 /nfs/dbraw/zinc/48/52/46/459485246.db2.gz ZSGVCMGHGQPUDN-NHCUHLMSSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735640 459485251 /nfs/dbraw/zinc/48/52/51/459485251.db2.gz ZSGVCMGHGQPUDN-NHCUHLMSSA-N 2 2 339.483 3.149 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000562097262 459511574 /nfs/dbraw/zinc/51/15/74/459511574.db2.gz OBDDWGOBOGZCFW-UNEWFSDZSA-N 2 2 326.406 3.480 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000562097262 459511575 /nfs/dbraw/zinc/51/15/75/459511575.db2.gz OBDDWGOBOGZCFW-UNEWFSDZSA-N 2 2 326.406 3.480 20 0 EGADLP COCc1cc(NC2CC[NH+](CC(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000562233601 459520675 /nfs/dbraw/zinc/52/06/75/459520675.db2.gz GLHBPIRRXASQCU-UHFFFAOYSA-N 2 2 345.462 3.475 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000542100222 459526118 /nfs/dbraw/zinc/52/61/18/459526118.db2.gz HRYHCMDPHSZELF-UHFFFAOYSA-N 2 2 331.508 3.043 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000542100222 459526123 /nfs/dbraw/zinc/52/61/23/459526123.db2.gz HRYHCMDPHSZELF-UHFFFAOYSA-N 2 2 331.508 3.043 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)cc2n1C ZINC000525995676 459528159 /nfs/dbraw/zinc/52/81/59/459528159.db2.gz IBFIFXWIGPCYDP-UHFFFAOYSA-N 2 2 342.487 3.074 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)cc2n1C ZINC000525995676 459528163 /nfs/dbraw/zinc/52/81/63/459528163.db2.gz IBFIFXWIGPCYDP-UHFFFAOYSA-N 2 2 342.487 3.074 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000583449127 459541650 /nfs/dbraw/zinc/54/16/50/459541650.db2.gz CFQMYBICIOJWEV-BEFAXECRSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000583449127 459541653 /nfs/dbraw/zinc/54/16/53/459541653.db2.gz CFQMYBICIOJWEV-BEFAXECRSA-N 2 2 348.450 3.036 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000497871099 459562114 /nfs/dbraw/zinc/56/21/14/459562114.db2.gz ZCBYKIDBKMUHJL-QGZVFWFLSA-N 2 2 336.479 3.439 20 0 EGADLP CC[C@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592487926 459612066 /nfs/dbraw/zinc/61/20/66/459612066.db2.gz CSPCPWZTNINADQ-SWLSCSKDSA-N 2 2 332.469 3.247 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592487926 459612071 /nfs/dbraw/zinc/61/20/71/459612071.db2.gz CSPCPWZTNINADQ-SWLSCSKDSA-N 2 2 332.469 3.247 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933733 459614133 /nfs/dbraw/zinc/61/41/33/459614133.db2.gz NHZVDOPBMOFXAY-VQIMIIECSA-N 2 2 329.488 3.355 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933733 459614136 /nfs/dbraw/zinc/61/41/36/459614136.db2.gz NHZVDOPBMOFXAY-VQIMIIECSA-N 2 2 329.488 3.355 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(NC3CC3)[nH+]cn2)cc1F ZINC000562721108 459632524 /nfs/dbraw/zinc/63/25/24/459632524.db2.gz FNWXLKONECQRRP-UHFFFAOYSA-N 2 2 338.390 3.296 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(NC3CC3)nc[nH+]2)cc1F ZINC000562721108 459632533 /nfs/dbraw/zinc/63/25/33/459632533.db2.gz FNWXLKONECQRRP-UHFFFAOYSA-N 2 2 338.390 3.296 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)[N@H+](Cc2ccccc2)C1 ZINC000527523718 459654574 /nfs/dbraw/zinc/65/45/74/459654574.db2.gz SAKNDWSNQXVUSP-RBUKOAKNSA-N 2 2 346.421 3.349 20 0 EGADLP COC1CCC(CC[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000543635601 459678634 /nfs/dbraw/zinc/67/86/34/459678634.db2.gz IXZUCAMACMBESF-KBWCOIMZSA-N 2 2 330.516 3.488 20 0 EGADLP COC1CCC(CC[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000543635601 459678638 /nfs/dbraw/zinc/67/86/38/459678638.db2.gz IXZUCAMACMBESF-KBWCOIMZSA-N 2 2 330.516 3.488 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655391 459687422 /nfs/dbraw/zinc/68/74/22/459687422.db2.gz DIDNTHBUGNIWFV-BXKDBHETSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655391 459687424 /nfs/dbraw/zinc/68/74/24/459687424.db2.gz DIDNTHBUGNIWFV-BXKDBHETSA-N 2 2 333.220 3.157 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676416 459716623 /nfs/dbraw/zinc/71/66/23/459716623.db2.gz JXZARNZRYRGLIS-PMACEKPBSA-N 2 2 344.886 3.474 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676416 459716630 /nfs/dbraw/zinc/71/66/30/459716630.db2.gz JXZARNZRYRGLIS-PMACEKPBSA-N 2 2 344.886 3.474 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000563107860 459716786 /nfs/dbraw/zinc/71/67/86/459716786.db2.gz RAUBMXJOVWVNRK-UHFFFAOYSA-N 2 2 342.487 3.102 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCc1ccccc1O)CCc1ccccc1O ZINC000544191066 459736718 /nfs/dbraw/zinc/73/67/18/459736718.db2.gz CGDBDMFHECYBST-UHFFFAOYSA-N 2 2 342.483 3.137 20 0 EGADLP C[NH+](CCC[N@H+](C)CCc1ccccc1O)CCc1ccccc1O ZINC000544191066 459736721 /nfs/dbraw/zinc/73/67/21/459736721.db2.gz CGDBDMFHECYBST-UHFFFAOYSA-N 2 2 342.483 3.137 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527804898 459741487 /nfs/dbraw/zinc/74/14/87/459741487.db2.gz CMSONUJPHIBCKP-GOSISDBHSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527804898 459741493 /nfs/dbraw/zinc/74/14/93/459741493.db2.gz CMSONUJPHIBCKP-GOSISDBHSA-N 2 2 335.536 3.020 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544349261 459750808 /nfs/dbraw/zinc/75/08/08/459750808.db2.gz WUMBOLXXKHQKJT-FGZHOGPDSA-N 2 2 338.495 3.234 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544349261 459750815 /nfs/dbraw/zinc/75/08/15/459750815.db2.gz WUMBOLXXKHQKJT-FGZHOGPDSA-N 2 2 338.495 3.234 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)Cc1ccc3ccccc3c1)CCC2 ZINC000574071085 459775669 /nfs/dbraw/zinc/77/56/69/459775669.db2.gz CHQIIOVAKQOSJR-LEWJYISDSA-N 2 2 349.478 3.415 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528004070 459793381 /nfs/dbraw/zinc/79/33/81/459793381.db2.gz VCTJXDXQWZMEDD-AEFFLSMTSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528004070 459793386 /nfs/dbraw/zinc/79/33/86/459793386.db2.gz VCTJXDXQWZMEDD-AEFFLSMTSA-N 2 2 330.472 3.298 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000566024423 459795121 /nfs/dbraw/zinc/79/51/21/459795121.db2.gz VLMGJKDGDSJHNI-LJQANCHMSA-N 2 2 341.430 3.018 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000566024423 459795126 /nfs/dbraw/zinc/79/51/26/459795126.db2.gz VLMGJKDGDSJHNI-LJQANCHMSA-N 2 2 341.430 3.018 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC3 ZINC000545189076 459807150 /nfs/dbraw/zinc/80/71/50/459807150.db2.gz SWSXZCGAPOQRMD-INIZCTEOSA-N 2 2 341.499 3.499 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccccc1 ZINC000566118509 459809476 /nfs/dbraw/zinc/80/94/76/459809476.db2.gz WKJGNVRQNMETLG-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000566118509 459809479 /nfs/dbraw/zinc/80/94/79/459809479.db2.gz WKJGNVRQNMETLG-MRXNPFEDSA-N 2 2 343.446 3.264 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575427390 459973493 /nfs/dbraw/zinc/97/34/93/459973493.db2.gz PZKVQHHSSJHCKJ-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575427390 459973502 /nfs/dbraw/zinc/97/35/02/459973502.db2.gz PZKVQHHSSJHCKJ-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000602533972 459986896 /nfs/dbraw/zinc/98/68/96/459986896.db2.gz YEORGIGKNJATFF-LBPRGKRZSA-N 2 2 331.803 3.418 20 0 EGADLP C[N@H+]1CC[C@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000602533972 459986902 /nfs/dbraw/zinc/98/69/02/459986902.db2.gz YEORGIGKNJATFF-LBPRGKRZSA-N 2 2 331.803 3.418 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000575797136 460004926 /nfs/dbraw/zinc/00/49/26/460004926.db2.gz ZLGQQWMWQMSHJJ-NRFANRHFSA-N 2 2 335.451 3.015 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000589206608 460054570 /nfs/dbraw/zinc/05/45/70/460054570.db2.gz WGTAYKLCJFLSOE-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000589206608 460054577 /nfs/dbraw/zinc/05/45/77/460054577.db2.gz WGTAYKLCJFLSOE-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000589206608 460054581 /nfs/dbraw/zinc/05/45/81/460054581.db2.gz WGTAYKLCJFLSOE-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000589206608 460054588 /nfs/dbraw/zinc/05/45/88/460054588.db2.gz WGTAYKLCJFLSOE-RHSMWYFYSA-N 2 2 336.863 3.043 20 0 EGADLP CCOC(=O)C(CC)(CC)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000602731152 460093150 /nfs/dbraw/zinc/09/31/50/460093150.db2.gz DAVJGMWRGHFEAH-UHFFFAOYSA-N 2 2 347.503 3.005 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000598952541 460101213 /nfs/dbraw/zinc/10/12/13/460101213.db2.gz MFYQYRGPJLKNSG-GOSISDBHSA-N 2 2 343.471 3.201 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625329940 460131917 /nfs/dbraw/zinc/13/19/17/460131917.db2.gz KTHVAEUKPPWOAC-KDOFPFPSSA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625329940 460131924 /nfs/dbraw/zinc/13/19/24/460131924.db2.gz KTHVAEUKPPWOAC-KDOFPFPSSA-N 2 2 340.895 3.272 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000599030293 460134098 /nfs/dbraw/zinc/13/40/98/460134098.db2.gz KFQLHPHIOZJIRG-CLPROHDKSA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599030293 460134106 /nfs/dbraw/zinc/13/41/06/460134106.db2.gz KFQLHPHIOZJIRG-CLPROHDKSA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000599038097 460134932 /nfs/dbraw/zinc/13/49/32/460134932.db2.gz NKWYLEDHABDBEL-LRYGQEGESA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000599038097 460134942 /nfs/dbraw/zinc/13/49/42/460134942.db2.gz NKWYLEDHABDBEL-LRYGQEGESA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000599047068 460139554 /nfs/dbraw/zinc/13/95/54/460139554.db2.gz OIQGYSIDRPNMPD-CLPROHDKSA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000599047068 460139559 /nfs/dbraw/zinc/13/95/59/460139559.db2.gz OIQGYSIDRPNMPD-CLPROHDKSA-N 2 2 344.499 3.361 20 0 EGADLP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000576510221 460157574 /nfs/dbraw/zinc/15/75/74/460157574.db2.gz RIJOTTFLVNDSOK-UHFFFAOYSA-N 2 2 335.879 3.051 20 0 EGADLP CSC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000602920823 460185065 /nfs/dbraw/zinc/18/50/65/460185065.db2.gz NGNRJRDEISHLCD-SFHVURJKSA-N 2 2 334.529 3.105 20 0 EGADLP CSC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000602920823 460185071 /nfs/dbraw/zinc/18/50/71/460185071.db2.gz NGNRJRDEISHLCD-SFHVURJKSA-N 2 2 334.529 3.105 20 0 EGADLP FC(F)Oc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517449 460316365 /nfs/dbraw/zinc/31/63/65/460316365.db2.gz WUZNCHHIQSONAH-MRXNPFEDSA-N 2 2 340.414 3.021 20 0 EGADLP Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Oc1cc[nH+]cc1 ZINC000604326930 460408089 /nfs/dbraw/zinc/40/80/89/460408089.db2.gz YYICGUMLHYMGNU-MRXNPFEDSA-N 2 2 339.439 3.396 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000619822256 460450667 /nfs/dbraw/zinc/45/06/67/460450667.db2.gz MWJGUYHIOGVJNF-AHRSYUTCSA-N 2 2 342.483 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000619822256 460450673 /nfs/dbraw/zinc/45/06/73/460450673.db2.gz MWJGUYHIOGVJNF-AHRSYUTCSA-N 2 2 342.483 3.242 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000604713106 460465231 /nfs/dbraw/zinc/46/52/31/460465231.db2.gz DUGQNPGHUCDJFD-QGZVFWFLSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703472 460485282 /nfs/dbraw/zinc/48/52/82/460485282.db2.gz WSBYMVFMIAIJNL-IEBWSBKVSA-N 2 2 345.512 3.129 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703472 460485290 /nfs/dbraw/zinc/48/52/90/460485290.db2.gz WSBYMVFMIAIJNL-IEBWSBKVSA-N 2 2 345.512 3.129 20 0 EGADLP C[N@@H+]1CCCC[C@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000628754005 460529930 /nfs/dbraw/zinc/52/99/30/460529930.db2.gz MMXVCHPQDOEKRA-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCCC[C@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000628754005 460529935 /nfs/dbraw/zinc/52/99/35/460529935.db2.gz MMXVCHPQDOEKRA-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP Cc1ccc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000606913125 460759494 /nfs/dbraw/zinc/75/94/94/460759494.db2.gz HFHMUEQRYWODMU-GOSISDBHSA-N 2 2 328.456 3.474 20 0 EGADLP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876433 460761103 /nfs/dbraw/zinc/76/11/03/460761103.db2.gz YGPMISAQXGYIIY-NUJGCVRESA-N 2 2 332.488 3.217 20 0 EGADLP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876433 460761110 /nfs/dbraw/zinc/76/11/10/460761110.db2.gz YGPMISAQXGYIIY-NUJGCVRESA-N 2 2 332.488 3.217 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892118 460763263 /nfs/dbraw/zinc/76/32/63/460763263.db2.gz FJLZRLLGGXELIA-RDTXWAMCSA-N 2 2 346.906 3.034 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892118 460763271 /nfs/dbraw/zinc/76/32/71/460763271.db2.gz FJLZRLLGGXELIA-RDTXWAMCSA-N 2 2 346.906 3.034 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccn2cc(C)[nH+]c2c1)c1ccco1 ZINC000635437275 460785860 /nfs/dbraw/zinc/78/58/60/460785860.db2.gz JEKVBZCZWOYMQU-INIZCTEOSA-N 2 2 340.427 3.049 20 0 EGADLP Cc1csc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000623943912 460789490 /nfs/dbraw/zinc/78/94/90/460789490.db2.gz OGJGBGQZTQGSLI-ZFWWWQNUSA-N 2 2 331.489 3.160 20 0 EGADLP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553311 460804950 /nfs/dbraw/zinc/80/49/50/460804950.db2.gz ILVDCVDPIXLUIG-DRCTWCGVSA-N 2 2 327.291 3.184 20 0 EGADLP Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000629675524 460862369 /nfs/dbraw/zinc/86/23/69/460862369.db2.gz WPQZVKSYYMEQRH-CABCVRRESA-N 2 2 332.835 3.485 20 0 EGADLP Clc1ccc(C[N@H+]2CCC[C@H]2c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000629675524 460862374 /nfs/dbraw/zinc/86/23/74/460862374.db2.gz WPQZVKSYYMEQRH-CABCVRRESA-N 2 2 332.835 3.485 20 0 EGADLP CC(C)N(C)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000629733333 460895754 /nfs/dbraw/zinc/89/57/54/460895754.db2.gz OELUHADPNYPIQJ-UHFFFAOYSA-N 2 2 325.456 3.425 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624227035 460920494 /nfs/dbraw/zinc/92/04/94/460920494.db2.gz DPIXCTPEOYHZEF-AZUAARDMSA-N 2 2 346.515 3.009 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624227035 460920501 /nfs/dbraw/zinc/92/05/01/460920501.db2.gz DPIXCTPEOYHZEF-AZUAARDMSA-N 2 2 346.515 3.009 20 0 EGADLP C[NH+](C)CC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000635861701 460951939 /nfs/dbraw/zinc/95/19/39/460951939.db2.gz WPMUUOMKCYSGFV-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624334851 460964717 /nfs/dbraw/zinc/96/47/17/460964717.db2.gz HJWCOKLBKWGXJG-PMACEKPBSA-N 2 2 344.886 3.280 20 0 EGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624334851 460964724 /nfs/dbraw/zinc/96/47/24/460964724.db2.gz HJWCOKLBKWGXJG-PMACEKPBSA-N 2 2 344.886 3.280 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccsc2)CC1 ZINC000608071228 460977695 /nfs/dbraw/zinc/97/76/95/460977695.db2.gz VDWBWWUXFZWNFL-UHFFFAOYSA-N 2 2 335.904 3.443 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183222 461036134 /nfs/dbraw/zinc/03/61/34/461036134.db2.gz UPRISHQOYQVXLQ-DZGCQCFKSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183222 461036140 /nfs/dbraw/zinc/03/61/40/461036140.db2.gz UPRISHQOYQVXLQ-DZGCQCFKSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183222 461036145 /nfs/dbraw/zinc/03/61/45/461036145.db2.gz UPRISHQOYQVXLQ-DZGCQCFKSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183222 461036150 /nfs/dbraw/zinc/03/61/50/461036150.db2.gz UPRISHQOYQVXLQ-DZGCQCFKSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)[nH+]1 ZINC000659013985 461138387 /nfs/dbraw/zinc/13/83/87/461138387.db2.gz BHSWMMRCARHPBN-QGZVFWFLSA-N 2 2 330.476 3.250 20 0 EGADLP c1cc(C[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)c2c(c1)C[NH2+]CC2 ZINC000662252953 461143757 /nfs/dbraw/zinc/14/37/57/461143757.db2.gz DYOPEUUPDQDVFK-SFHVURJKSA-N 2 2 338.455 3.320 20 0 EGADLP c1cc(C[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)c2c(c1)C[NH2+]CC2 ZINC000662252953 461143766 /nfs/dbraw/zinc/14/37/66/461143766.db2.gz DYOPEUUPDQDVFK-SFHVURJKSA-N 2 2 338.455 3.320 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351525 461147059 /nfs/dbraw/zinc/14/70/59/461147059.db2.gz CNPXTMZJIUGLPJ-YWMUFLPLSA-N 2 2 343.515 3.199 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351525 461147065 /nfs/dbraw/zinc/14/70/65/461147065.db2.gz CNPXTMZJIUGLPJ-YWMUFLPLSA-N 2 2 343.515 3.199 20 0 EGADLP FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)CC12CCOCC2 ZINC000668234369 461197727 /nfs/dbraw/zinc/19/77/27/461197727.db2.gz GUXHMPKVUZWMNT-CQSZACIVSA-N 2 2 343.393 3.010 20 0 EGADLP FC(F)(F)[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CCOCC2 ZINC000668234369 461197733 /nfs/dbraw/zinc/19/77/33/461197733.db2.gz GUXHMPKVUZWMNT-CQSZACIVSA-N 2 2 343.393 3.010 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)n1C ZINC000668249115 461205456 /nfs/dbraw/zinc/20/54/56/461205456.db2.gz HFQJXOBOPSTLHF-UHFFFAOYSA-N 2 2 330.501 3.443 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638065928 461224246 /nfs/dbraw/zinc/22/42/46/461224246.db2.gz DEMGDIGTFAIQBI-AZUAARDMSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638065928 461224251 /nfs/dbraw/zinc/22/42/51/461224251.db2.gz DEMGDIGTFAIQBI-AZUAARDMSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638065928 461224256 /nfs/dbraw/zinc/22/42/56/461224256.db2.gz DEMGDIGTFAIQBI-AZUAARDMSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638065928 461224263 /nfs/dbraw/zinc/22/42/63/461224263.db2.gz DEMGDIGTFAIQBI-AZUAARDMSA-N 2 2 338.499 3.325 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109164 461244732 /nfs/dbraw/zinc/24/47/32/461244732.db2.gz CUABIWUIYCALND-TZMCWYRMSA-N 2 2 326.868 3.359 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109164 461244737 /nfs/dbraw/zinc/24/47/37/461244737.db2.gz CUABIWUIYCALND-TZMCWYRMSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109164 461244739 /nfs/dbraw/zinc/24/47/39/461244739.db2.gz CUABIWUIYCALND-TZMCWYRMSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@H]1C ZINC000638109164 461244745 /nfs/dbraw/zinc/24/47/45/461244745.db2.gz CUABIWUIYCALND-TZMCWYRMSA-N 2 2 326.868 3.359 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000630738557 461278635 /nfs/dbraw/zinc/27/86/35/461278635.db2.gz PQFCFQOOZXGWII-LSDHHAIUSA-N 2 2 326.444 3.069 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000630738557 461278645 /nfs/dbraw/zinc/27/86/45/461278645.db2.gz PQFCFQOOZXGWII-LSDHHAIUSA-N 2 2 326.444 3.069 20 0 EGADLP Clc1ccc(Cl)c(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000649695899 461279681 /nfs/dbraw/zinc/27/96/81/461279681.db2.gz MYXWJLFIIOJJJV-UHFFFAOYSA-N 2 2 339.270 3.402 20 0 EGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638183596 461293075 /nfs/dbraw/zinc/29/30/75/461293075.db2.gz VAXXCLXYIAKTBB-MAUKXSAKSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638183596 461293079 /nfs/dbraw/zinc/29/30/79/461293079.db2.gz VAXXCLXYIAKTBB-MAUKXSAKSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638183596 461293082 /nfs/dbraw/zinc/29/30/82/461293082.db2.gz VAXXCLXYIAKTBB-MAUKXSAKSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638183596 461293086 /nfs/dbraw/zinc/29/30/86/461293086.db2.gz VAXXCLXYIAKTBB-MAUKXSAKSA-N 2 2 330.472 3.153 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000668567726 461334412 /nfs/dbraw/zinc/33/44/12/461334412.db2.gz ZMKSPCJCSDYBQP-LJQANCHMSA-N 2 2 334.467 3.083 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000668567726 461334418 /nfs/dbraw/zinc/33/44/18/461334418.db2.gz ZMKSPCJCSDYBQP-LJQANCHMSA-N 2 2 334.467 3.083 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1O ZINC000668615987 461355969 /nfs/dbraw/zinc/35/59/69/461355969.db2.gz CLHWAKHJDNIABX-IAGOWNOFSA-N 2 2 334.504 3.432 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694828 461368024 /nfs/dbraw/zinc/36/80/24/461368024.db2.gz GVIKHPQTACSMGE-QUCCMNQESA-N 2 2 332.488 3.235 20 0 EGADLP CC(C)C[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)n1cc[nH+]c1 ZINC000638328957 461370830 /nfs/dbraw/zinc/37/08/30/461370830.db2.gz OBFCUDKGDJWRNT-CQSZACIVSA-N 2 2 347.488 3.033 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCS2 ZINC000655701013 461372031 /nfs/dbraw/zinc/37/20/31/461372031.db2.gz OPPNKRSKRLIQFF-NVXWUHKLSA-N 2 2 336.476 3.206 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2csc(COc3ccc(F)cc3)n2)C[C@@H]1[NH3+] ZINC000641803759 461380681 /nfs/dbraw/zinc/38/06/81/461380681.db2.gz HCODNLRFJSIHJT-LSDHHAIUSA-N 2 2 335.448 3.077 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)ccn1 ZINC000655717462 461386222 /nfs/dbraw/zinc/38/62/22/461386222.db2.gz CWIAKYMKQHWIEF-MAUKXSAKSA-N 2 2 336.439 3.458 20 0 EGADLP COc1cc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1 ZINC000638420142 461419177 /nfs/dbraw/zinc/41/91/77/461419177.db2.gz LIHSBCQKCRVJJQ-CQSZACIVSA-N 2 2 340.402 3.136 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655768695 461432302 /nfs/dbraw/zinc/43/23/02/461432302.db2.gz MHEJSRYDWCNYMK-QGZVFWFLSA-N 2 2 341.459 3.110 20 0 EGADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655767606 461432931 /nfs/dbraw/zinc/43/29/31/461432931.db2.gz XVGLXNXFILXYAH-HNNXBMFYSA-N 2 2 338.492 3.281 20 0 EGADLP CSc1cccc(F)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655767607 461433985 /nfs/dbraw/zinc/43/39/85/461433985.db2.gz XVGLXNXFILXYAH-OAHLLOKOSA-N 2 2 338.492 3.281 20 0 EGADLP Fc1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC(n4cc[nH+]c4)CC3)c21 ZINC000642110805 461448906 /nfs/dbraw/zinc/44/89/06/461448906.db2.gz QMVSBNSHHWYFGH-UHFFFAOYSA-N 2 2 336.374 3.288 20 0 EGADLP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[C@@H]1[NH3+] ZINC000647011507 461482233 /nfs/dbraw/zinc/48/22/33/461482233.db2.gz GONVSBXGKVPHRV-KSSFIOAISA-N 2 2 325.412 3.073 20 0 EGADLP C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072124 461487839 /nfs/dbraw/zinc/48/78/39/461487839.db2.gz DWGXSHFSXSCLDM-WBVHZDCISA-N 2 2 345.512 3.117 20 0 EGADLP Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653077069 461489325 /nfs/dbraw/zinc/48/93/25/461489325.db2.gz NQDCQTUFLZCBBF-INIZCTEOSA-N 2 2 341.455 3.313 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000631038691 461492029 /nfs/dbraw/zinc/49/20/29/461492029.db2.gz HAKKUQFPFMLTBI-GOSISDBHSA-N 2 2 333.520 3.230 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000653084626 461493535 /nfs/dbraw/zinc/49/35/35/461493535.db2.gz MJVVMQMTLSLJMG-RTBURBONSA-N 2 2 331.504 3.093 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848376 461496065 /nfs/dbraw/zinc/49/60/65/461496065.db2.gz IIQYDJAAEHQRNK-KFKAGJAMSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848376 461496071 /nfs/dbraw/zinc/49/60/71/461496071.db2.gz IIQYDJAAEHQRNK-KFKAGJAMSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655848379 461496913 /nfs/dbraw/zinc/49/69/13/461496913.db2.gz IKSQDMOOBPTKIU-IPELMVKDSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655848379 461496922 /nfs/dbraw/zinc/49/69/22/461496922.db2.gz IKSQDMOOBPTKIU-IPELMVKDSA-N 2 2 345.487 3.019 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC4(CCCC4)O3)CC2)nc1 ZINC000655851162 461500615 /nfs/dbraw/zinc/50/06/15/461500615.db2.gz BJDVPRJSJYWGSG-LJQANCHMSA-N 2 2 329.488 3.127 20 0 EGADLP CO[C@H](C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)[C@@H]1CCOC1 ZINC000638642197 461516132 /nfs/dbraw/zinc/51/61/32/461516132.db2.gz VSEDVIQGSPRUGT-MISYRCLQSA-N 2 2 346.515 3.291 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663315780 461553930 /nfs/dbraw/zinc/55/39/30/461553930.db2.gz MSUWRLHZQPIIJJ-ZDUSSCGKSA-N 2 2 347.511 3.086 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000647196026 461557854 /nfs/dbraw/zinc/55/78/54/461557854.db2.gz MIXWUJSIGQJYPT-KRWDZBQOSA-N 2 2 341.503 3.249 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000663352309 461581924 /nfs/dbraw/zinc/58/19/24/461581924.db2.gz SZTZHFCEKHIZPP-QGZVFWFLSA-N 2 2 333.439 3.110 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000631137445 461582483 /nfs/dbraw/zinc/58/24/83/461582483.db2.gz BNFIVEJHQKRHSY-IIBYNOLFSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000631137445 461582494 /nfs/dbraw/zinc/58/24/94/461582494.db2.gz BNFIVEJHQKRHSY-IIBYNOLFSA-N 2 2 337.467 3.398 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638860532 461623544 /nfs/dbraw/zinc/62/35/44/461623544.db2.gz ZBDQHTQNGRKQJN-DUPRYPCISA-N 2 2 343.515 3.247 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638860532 461623553 /nfs/dbraw/zinc/62/35/53/461623553.db2.gz ZBDQHTQNGRKQJN-DUPRYPCISA-N 2 2 343.515 3.247 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000660197646 461630727 /nfs/dbraw/zinc/63/07/27/461630727.db2.gz GQOFDYKYCDBHPD-RXVVDRJESA-N 2 2 344.474 3.400 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000660197646 461630735 /nfs/dbraw/zinc/63/07/35/461630735.db2.gz GQOFDYKYCDBHPD-RXVVDRJESA-N 2 2 344.474 3.400 20 0 EGADLP Clc1cccc(Cl)c1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000656201380 461646155 /nfs/dbraw/zinc/64/61/55/461646155.db2.gz WPDIGHNQXAJEKX-IRXDYDNUSA-N 2 2 343.298 3.283 20 0 EGADLP Fc1ccc([C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466213 461654953 /nfs/dbraw/zinc/65/49/53/461654953.db2.gz PNGUNNPHMGHDQR-LPHOPBHVSA-N 2 2 342.462 3.350 20 0 EGADLP Fc1ccc([C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466213 461654958 /nfs/dbraw/zinc/65/49/58/461654958.db2.gz PNGUNNPHMGHDQR-LPHOPBHVSA-N 2 2 342.462 3.350 20 0 EGADLP CC(C)N(C)c1ccc(CNc2cnn(C3CC[NH+](C)CC3)c2)c[nH+]1 ZINC000631226275 461656254 /nfs/dbraw/zinc/65/62/54/461656254.db2.gz VKBLTOGOFMIFRK-UHFFFAOYSA-N 2 2 342.491 3.002 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000656254442 461675250 /nfs/dbraw/zinc/67/52/50/461675250.db2.gz FTJFPKJEFIGKID-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000656254442 461675259 /nfs/dbraw/zinc/67/52/59/461675259.db2.gz FTJFPKJEFIGKID-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000656254442 461675265 /nfs/dbraw/zinc/67/52/65/461675265.db2.gz FTJFPKJEFIGKID-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000656254442 461675274 /nfs/dbraw/zinc/67/52/74/461675274.db2.gz FTJFPKJEFIGKID-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000663508791 461678242 /nfs/dbraw/zinc/67/82/42/461678242.db2.gz DTNXPQUFRUSPMK-CYBMUJFWSA-N 2 2 331.847 3.290 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000656257914 461680641 /nfs/dbraw/zinc/68/06/41/461680641.db2.gz LYTZOBVJPOAZHZ-UHFFFAOYSA-N 2 2 330.451 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000656257914 461680644 /nfs/dbraw/zinc/68/06/44/461680644.db2.gz LYTZOBVJPOAZHZ-UHFFFAOYSA-N 2 2 330.451 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262159 461685261 /nfs/dbraw/zinc/68/52/61/461685261.db2.gz PLCAGMWQVZMQED-KBXCAEBGSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262159 461685264 /nfs/dbraw/zinc/68/52/64/461685264.db2.gz PLCAGMWQVZMQED-KBXCAEBGSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262159 461685267 /nfs/dbraw/zinc/68/52/67/461685267.db2.gz PLCAGMWQVZMQED-KBXCAEBGSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000656262159 461685270 /nfs/dbraw/zinc/68/52/70/461685270.db2.gz PLCAGMWQVZMQED-KBXCAEBGSA-N 2 2 330.451 3.092 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000660298003 461694914 /nfs/dbraw/zinc/69/49/14/461694914.db2.gz UAFRNXCGHMZFNM-KRWDZBQOSA-N 2 2 338.442 3.145 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000660298003 461694922 /nfs/dbraw/zinc/69/49/22/461694922.db2.gz UAFRNXCGHMZFNM-KRWDZBQOSA-N 2 2 338.442 3.145 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000656277383 461700055 /nfs/dbraw/zinc/70/00/55/461700055.db2.gz MJMYCBXMCAZMQW-SZMVWBNQSA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1O ZINC000656277383 461700061 /nfs/dbraw/zinc/70/00/61/461700061.db2.gz MJMYCBXMCAZMQW-SZMVWBNQSA-N 2 2 332.488 3.328 20 0 EGADLP COC1([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350331 461701967 /nfs/dbraw/zinc/70/19/67/461701967.db2.gz ITEFLPFISNQXRQ-PKOBYXMFSA-N 2 2 346.515 3.213 20 0 EGADLP COC1([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350331 461701973 /nfs/dbraw/zinc/70/19/73/461701973.db2.gz ITEFLPFISNQXRQ-PKOBYXMFSA-N 2 2 346.515 3.213 20 0 EGADLP Cn1c[nH+]cc1CCC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000653561668 461722606 /nfs/dbraw/zinc/72/26/06/461722606.db2.gz OCRPYOWYMGDEFS-QWRGUYRKSA-N 2 2 329.288 3.025 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](C)c2ccncc2)[C@H]2CCC[NH2+]2)cc1 ZINC000643460274 461734596 /nfs/dbraw/zinc/73/45/96/461734596.db2.gz JCZOGIRXDZXZLM-BEVDRBHNSA-N 2 2 325.456 3.277 20 0 EGADLP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000643471922 461739506 /nfs/dbraw/zinc/73/95/06/461739506.db2.gz RWXXZLGTYDYERL-RBUKOAKNSA-N 2 2 325.456 3.452 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501729 461746312 /nfs/dbraw/zinc/74/63/12/461746312.db2.gz OVMJYTWQMIRMIE-IUODEOHRSA-N 2 2 339.277 3.395 20 0 EGADLP C[C@@H](Cc1cccs1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643544690 461758934 /nfs/dbraw/zinc/75/89/34/461758934.db2.gz YPZCVDCDSJBVPA-KRWDZBQOSA-N 3 2 343.540 3.262 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498704 461767613 /nfs/dbraw/zinc/76/76/13/461767613.db2.gz AHABNLNORGWSAS-MTFMMBMASA-N 2 2 346.540 3.399 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498704 461767623 /nfs/dbraw/zinc/76/76/23/461767623.db2.gz AHABNLNORGWSAS-MTFMMBMASA-N 2 2 346.540 3.399 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769704 461795340 /nfs/dbraw/zinc/79/53/40/461795340.db2.gz CMCYTHDZPKBTPQ-SWLSCSKDSA-N 2 2 343.393 3.154 20 0 EGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000660472230 461798479 /nfs/dbraw/zinc/79/84/79/461798479.db2.gz CHQWETXSKRTRHO-HXUWFJFHSA-N 2 2 339.483 3.230 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)C ZINC000639207218 461804705 /nfs/dbraw/zinc/80/47/05/461804705.db2.gz ZHNREDQYWLUJCN-RLLQIKCJSA-N 2 2 343.515 3.105 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)C ZINC000639207218 461804708 /nfs/dbraw/zinc/80/47/08/461804708.db2.gz ZHNREDQYWLUJCN-RLLQIKCJSA-N 2 2 343.515 3.105 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496649 461814965 /nfs/dbraw/zinc/81/49/65/461814965.db2.gz ISQTYZKNYMGGSI-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496649 461814969 /nfs/dbraw/zinc/81/49/69/461814969.db2.gz ISQTYZKNYMGGSI-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496649 461814973 /nfs/dbraw/zinc/81/49/73/461814973.db2.gz ISQTYZKNYMGGSI-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496649 461814979 /nfs/dbraw/zinc/81/49/79/461814979.db2.gz ISQTYZKNYMGGSI-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000643894879 461833172 /nfs/dbraw/zinc/83/31/72/461833172.db2.gz BTQXNZYFNXXRAM-RTBURBONSA-N 2 2 335.536 3.340 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000647788561 461835713 /nfs/dbraw/zinc/83/57/13/461835713.db2.gz MCVVMDJGVORTGF-BURNTYAHSA-N 3 2 327.516 3.110 20 0 EGADLP Brc1cccc(-c2c[nH]c(C[NH2+][C@@H]3CCC[NH2+]CC3)n2)c1 ZINC000666856672 461838838 /nfs/dbraw/zinc/83/88/38/461838838.db2.gz YEJWFSISESPSBG-CQSZACIVSA-N 2 2 349.276 3.071 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)cc1O ZINC000639337342 461868439 /nfs/dbraw/zinc/86/84/39/461868439.db2.gz MDKYZXBPEOPCHU-CQSZACIVSA-N 2 2 338.879 3.266 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)cc1O ZINC000639337342 461868444 /nfs/dbraw/zinc/86/84/44/461868444.db2.gz MDKYZXBPEOPCHU-CQSZACIVSA-N 2 2 338.879 3.266 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000639354183 461877599 /nfs/dbraw/zinc/87/75/99/461877599.db2.gz DMMSYCGZQHXSON-UHFFFAOYSA-N 2 2 341.499 3.255 20 0 EGADLP FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781969 461892097 /nfs/dbraw/zinc/89/20/97/461892097.db2.gz BDMGZMGLJGUNBB-LBPRGKRZSA-N 2 2 333.423 3.374 20 0 EGADLP FC(F)(F)c1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781969 461892105 /nfs/dbraw/zinc/89/21/05/461892105.db2.gz BDMGZMGLJGUNBB-LBPRGKRZSA-N 2 2 333.423 3.374 20 0 EGADLP CCOc1c(Br)cc(C[N@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656782421 461892299 /nfs/dbraw/zinc/89/22/99/461892299.db2.gz GPXSVGSDQFPDLG-UHFFFAOYSA-N 2 2 345.281 3.026 20 0 EGADLP CCOc1c(Br)cc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000656782421 461892306 /nfs/dbraw/zinc/89/23/06/461892306.db2.gz GPXSVGSDQFPDLG-UHFFFAOYSA-N 2 2 345.281 3.026 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000647937212 461894925 /nfs/dbraw/zinc/89/49/25/461894925.db2.gz SPHCVNVOYLAMJF-BJJXKVORSA-N 2 2 348.878 3.434 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000647937212 461894927 /nfs/dbraw/zinc/89/49/27/461894927.db2.gz SPHCVNVOYLAMJF-BJJXKVORSA-N 2 2 348.878 3.434 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647937216 461894954 /nfs/dbraw/zinc/89/49/54/461894954.db2.gz SRYILVSXTNLBOU-BFYDXBDKSA-N 2 2 343.471 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647937216 461894960 /nfs/dbraw/zinc/89/49/60/461894960.db2.gz SRYILVSXTNLBOU-BFYDXBDKSA-N 2 2 343.471 3.011 20 0 EGADLP CC[C@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939809 461895960 /nfs/dbraw/zinc/89/59/60/461895960.db2.gz BQACWSGLNZEHCI-LPHOPBHVSA-N 2 2 339.483 3.252 20 0 EGADLP CC[C@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939809 461895967 /nfs/dbraw/zinc/89/59/67/461895967.db2.gz BQACWSGLNZEHCI-LPHOPBHVSA-N 2 2 339.483 3.252 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647940329 461897862 /nfs/dbraw/zinc/89/78/62/461897862.db2.gz UGFPKKUTEBTVJM-HDMKZQKVSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647940329 461897870 /nfs/dbraw/zinc/89/78/70/461897870.db2.gz UGFPKKUTEBTVJM-HDMKZQKVSA-N 2 2 325.456 3.226 20 0 EGADLP c1cn(-c2csc(CNc3ccc([C@@H]4C[NH2+]CCO4)cc3)c2)c[nH+]1 ZINC000656793186 461902971 /nfs/dbraw/zinc/90/29/71/461902971.db2.gz QIKJFFKOJSJUHQ-SFHVURJKSA-N 2 2 340.452 3.207 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654975 461904685 /nfs/dbraw/zinc/90/46/85/461904685.db2.gz JRBOTDZRRMKCLU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654975 461904693 /nfs/dbraw/zinc/90/46/93/461904693.db2.gz JRBOTDZRRMKCLU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654975 461904701 /nfs/dbraw/zinc/90/47/01/461904701.db2.gz JRBOTDZRRMKCLU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654975 461904708 /nfs/dbraw/zinc/90/47/08/461904708.db2.gz JRBOTDZRRMKCLU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652475 461905961 /nfs/dbraw/zinc/90/59/61/461905961.db2.gz JQHDZAUZGPVNRO-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652475 461905966 /nfs/dbraw/zinc/90/59/66/461905966.db2.gz JQHDZAUZGPVNRO-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652475 461905971 /nfs/dbraw/zinc/90/59/71/461905971.db2.gz JQHDZAUZGPVNRO-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652475 461905976 /nfs/dbraw/zinc/90/59/76/461905976.db2.gz JQHDZAUZGPVNRO-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656586 461908309 /nfs/dbraw/zinc/90/83/09/461908309.db2.gz MXQHCOFMBPOCAU-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656586 461908310 /nfs/dbraw/zinc/90/83/10/461908310.db2.gz MXQHCOFMBPOCAU-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656586 461908312 /nfs/dbraw/zinc/90/83/12/461908312.db2.gz MXQHCOFMBPOCAU-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656586 461908314 /nfs/dbraw/zinc/90/83/14/461908314.db2.gz MXQHCOFMBPOCAU-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661252 461911271 /nfs/dbraw/zinc/91/12/71/461911271.db2.gz BZDDNPXLFLXRTP-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661252 461911275 /nfs/dbraw/zinc/91/12/75/461911275.db2.gz BZDDNPXLFLXRTP-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661252 461911280 /nfs/dbraw/zinc/91/12/80/461911280.db2.gz BZDDNPXLFLXRTP-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661252 461911290 /nfs/dbraw/zinc/91/12/90/461911290.db2.gz BZDDNPXLFLXRTP-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1)C(C)C ZINC000660675037 461920587 /nfs/dbraw/zinc/92/05/87/461920587.db2.gz WJIYEKCAHAZTBA-SFHVURJKSA-N 2 2 345.531 3.275 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751849 461932690 /nfs/dbraw/zinc/93/26/90/461932690.db2.gz CLPVYZNLZGQQHU-IERDGZPVSA-N 3 2 341.474 3.285 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650751849 461932694 /nfs/dbraw/zinc/93/26/94/461932694.db2.gz CLPVYZNLZGQQHU-IERDGZPVSA-N 3 2 341.474 3.285 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664153726 461962144 /nfs/dbraw/zinc/96/21/44/461962144.db2.gz YZPYEYJJFLPERO-UHFFFAOYSA-N 2 2 346.450 3.015 20 0 EGADLP Cc1cnnn1-c1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000648059405 461963120 /nfs/dbraw/zinc/96/31/20/461963120.db2.gz NPCDWOFHWMOIAS-UHFFFAOYSA-N 2 2 334.427 3.052 20 0 EGADLP O=C(C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)Nc1ccccc1 ZINC000660852829 461995326 /nfs/dbraw/zinc/99/53/26/461995326.db2.gz IUWWIJHRUKKRJR-UHFFFAOYSA-N 2 2 348.450 3.456 20 0 EGADLP Cc1cncc(CC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660857584 461998930 /nfs/dbraw/zinc/99/89/30/461998930.db2.gz RZTLFWWIBSCOJY-UHFFFAOYSA-N 2 2 335.455 3.159 20 0 EGADLP CCCn1nccc1C[NH2+]C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000657300150 462027955 /nfs/dbraw/zinc/02/79/55/462027955.db2.gz JNSJRDUHJZOPAE-LJQANCHMSA-N 2 2 326.488 3.220 20 0 EGADLP CCCn1nccc1C[NH2+]C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000657300150 462027961 /nfs/dbraw/zinc/02/79/61/462027961.db2.gz JNSJRDUHJZOPAE-LJQANCHMSA-N 2 2 326.488 3.220 20 0 EGADLP Cc1cn2cc(NC(=O)N3CCC(C)([NH+]4CCCC4)CC3)ccc2[nH+]1 ZINC000639630653 462028511 /nfs/dbraw/zinc/02/85/11/462028511.db2.gz XULUASNMGMXFBU-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP Fc1c(C[NH2+]CCc2cn3ccccc3[nH+]2)cccc1OC1CC1 ZINC000657302306 462029441 /nfs/dbraw/zinc/02/94/41/462029441.db2.gz PQQNCXAXHGUILN-UHFFFAOYSA-N 2 2 325.387 3.347 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000667345696 462050495 /nfs/dbraw/zinc/05/04/95/462050495.db2.gz MEAUPHCXRMUQBP-HOTGVXAUSA-N 2 2 345.491 3.032 20 0 EGADLP FC(F)(F)Oc1ccccc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657393821 462093769 /nfs/dbraw/zinc/09/37/69/462093769.db2.gz ZLBCZRHEGYFUKM-UHFFFAOYSA-N 2 2 325.334 3.060 20 0 EGADLP c1[nH+]c2n(c1CNc1cccc3c1CN(c1cccc[nH+]1)C3)CCC2 ZINC000657418447 462111105 /nfs/dbraw/zinc/11/11/05/462111105.db2.gz GACIQDALBJRWAZ-UHFFFAOYSA-N 2 2 331.423 3.357 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)n1C ZINC000667545005 462135253 /nfs/dbraw/zinc/13/52/53/462135253.db2.gz UCBZRNNQYNYFHT-UHFFFAOYSA-N 2 2 341.434 3.322 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)n1C ZINC000667545005 462135261 /nfs/dbraw/zinc/13/52/61/462135261.db2.gz UCBZRNNQYNYFHT-UHFFFAOYSA-N 2 2 341.434 3.322 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(NCc2[nH+]ccn2C(C)C)c1 ZINC000657467157 462140683 /nfs/dbraw/zinc/14/06/83/462140683.db2.gz XTIBJAYCLBKHPU-UHFFFAOYSA-N 2 2 343.475 3.356 20 0 EGADLP CC(C)(C)CCOc1cnccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657467289 462140718 /nfs/dbraw/zinc/14/07/18/462140718.db2.gz YZGRIWYKCZIWFH-UHFFFAOYSA-N 2 2 328.460 3.329 20 0 EGADLP Brc1ccccc1CC1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657473461 462144965 /nfs/dbraw/zinc/14/49/65/462144965.db2.gz KZMRZTVAIDELDJ-UHFFFAOYSA-N 2 2 346.272 3.457 20 0 EGADLP Clc1ccccc1N1CC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657537979 462171843 /nfs/dbraw/zinc/17/18/43/462171843.db2.gz JJSLUCVIBNDMDJ-AWEZNQCLSA-N 2 2 330.863 3.099 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664291 462198505 /nfs/dbraw/zinc/19/85/05/462198505.db2.gz HROQQEWNCCTXBY-DOMZBBRYSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664291 462198508 /nfs/dbraw/zinc/19/85/08/462198508.db2.gz HROQQEWNCCTXBY-DOMZBBRYSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664291 462198512 /nfs/dbraw/zinc/19/85/12/462198512.db2.gz HROQQEWNCCTXBY-DOMZBBRYSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664291 462198516 /nfs/dbraw/zinc/19/85/16/462198516.db2.gz HROQQEWNCCTXBY-DOMZBBRYSA-N 2 2 340.309 3.457 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667670261 462203224 /nfs/dbraw/zinc/20/32/24/462203224.db2.gz IQYVHMUBGBZQIT-HNNXBMFYSA-N 2 2 344.890 3.362 20 0 EGADLP CC1([NH+]2CCCC2)CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000639983117 462205186 /nfs/dbraw/zinc/20/51/86/462205186.db2.gz BKLGQBZSVNMNLM-UHFFFAOYSA-N 2 2 338.499 3.382 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000639987849 462206793 /nfs/dbraw/zinc/20/67/93/462206793.db2.gz IQNGGXOKRBUEHQ-UHFFFAOYSA-N 2 2 335.536 3.118 20 0 EGADLP Cc1[nH+]cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)n1C ZINC000667684071 462212560 /nfs/dbraw/zinc/21/25/60/462212560.db2.gz JSZSHPRHUYKNCK-UHFFFAOYSA-N 2 2 328.243 3.030 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)n1C ZINC000667684071 462212563 /nfs/dbraw/zinc/21/25/63/462212563.db2.gz JSZSHPRHUYKNCK-UHFFFAOYSA-N 2 2 328.243 3.030 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NCc3cc(C)[nH+]c(N4CCCC4)c3)c2c1C ZINC000645247437 462252420 /nfs/dbraw/zinc/25/24/20/462252420.db2.gz HHPJWRCDVLPGDR-UHFFFAOYSA-N 2 2 336.443 3.490 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812474 462279288 /nfs/dbraw/zinc/27/92/88/462279288.db2.gz DEBSJJMXYYHARG-GCJKJVERSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812474 462279295 /nfs/dbraw/zinc/27/92/95/462279295.db2.gz DEBSJJMXYYHARG-GCJKJVERSA-N 3 2 341.543 3.219 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000651643489 462287710 /nfs/dbraw/zinc/28/77/10/462287710.db2.gz BZKZIXYXOPIJSM-LJQANCHMSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000651643489 462287714 /nfs/dbraw/zinc/28/77/14/462287714.db2.gz BZKZIXYXOPIJSM-LJQANCHMSA-N 2 2 338.499 3.407 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650941 462290117 /nfs/dbraw/zinc/29/01/17/462290117.db2.gz FSCLSMBELLCJNC-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650941 462290119 /nfs/dbraw/zinc/29/01/19/462290119.db2.gz FSCLSMBELLCJNC-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000651650941 462290123 /nfs/dbraw/zinc/29/01/23/462290123.db2.gz FSCLSMBELLCJNC-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000651650941 462290125 /nfs/dbraw/zinc/29/01/25/462290125.db2.gz FSCLSMBELLCJNC-KBXCAEBGSA-N 2 2 348.462 3.292 20 0 EGADLP CCC(CC)(C[NH2+][C@@H](C)Cn1cncn1)[NH2+][C@@H](C)c1ccccc1 ZINC000657891399 462310349 /nfs/dbraw/zinc/31/03/49/462310349.db2.gz XFLXRPBOMDETRT-IRXDYDNUSA-N 2 2 329.492 3.166 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000648881678 462317531 /nfs/dbraw/zinc/31/75/31/462317531.db2.gz MOUZCKITMKOYKY-RDTXWAMCSA-N 2 2 338.455 3.165 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000648881678 462317533 /nfs/dbraw/zinc/31/75/33/462317533.db2.gz MOUZCKITMKOYKY-RDTXWAMCSA-N 2 2 338.455 3.165 20 0 EGADLP CCOC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000657990534 462339601 /nfs/dbraw/zinc/33/96/01/462339601.db2.gz OWVQFAQLTVVRQI-CBNMVNINSA-N 2 2 346.515 3.215 20 0 EGADLP CCOC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000657990534 462339605 /nfs/dbraw/zinc/33/96/05/462339605.db2.gz OWVQFAQLTVVRQI-CBNMVNINSA-N 2 2 346.515 3.215 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000651810705 462345135 /nfs/dbraw/zinc/34/51/35/462345135.db2.gz AWIWZHRGLAJJTD-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000651810705 462345142 /nfs/dbraw/zinc/34/51/42/462345142.db2.gz AWIWZHRGLAJJTD-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000651810705 462345146 /nfs/dbraw/zinc/34/51/46/462345146.db2.gz AWIWZHRGLAJJTD-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000651810705 462345152 /nfs/dbraw/zinc/34/51/52/462345152.db2.gz AWIWZHRGLAJJTD-UZLBHIALSA-N 2 2 326.488 3.261 20 0 EGADLP c1csc(-c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)c1 ZINC000665238355 462363870 /nfs/dbraw/zinc/36/38/70/462363870.db2.gz WTOIZTOQIGAQKA-IEBWSBKVSA-N 2 2 328.481 3.272 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095273 462381555 /nfs/dbraw/zinc/38/15/55/462381555.db2.gz FVRUSHWYAJGDDQ-RTBURBONSA-N 2 2 341.503 3.180 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095273 462381557 /nfs/dbraw/zinc/38/15/57/462381557.db2.gz FVRUSHWYAJGDDQ-RTBURBONSA-N 2 2 341.503 3.180 20 0 EGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000668107131 462424047 /nfs/dbraw/zinc/42/40/47/462424047.db2.gz WOSZNNIDIXACOS-HNNXBMFYSA-N 2 2 328.460 3.358 20 0 EGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000668107131 462424051 /nfs/dbraw/zinc/42/40/51/462424051.db2.gz WOSZNNIDIXACOS-HNNXBMFYSA-N 2 2 328.460 3.358 20 0 EGADLP Cc1cncc(-c2nc(C[N@H+](C)CCCC[NH+]3CCCCC3)no2)c1 ZINC000640534742 462432936 /nfs/dbraw/zinc/43/29/36/462432936.db2.gz UIALYSSULUUMCD-UHFFFAOYSA-N 2 2 343.475 3.138 20 0 EGADLP Cc1cncc(-c2nc(C[N@@H+](C)CCCC[NH+]3CCCCC3)no2)c1 ZINC000640534742 462432941 /nfs/dbraw/zinc/43/29/41/462432941.db2.gz UIALYSSULUUMCD-UHFFFAOYSA-N 2 2 343.475 3.138 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652135213 462445232 /nfs/dbraw/zinc/44/52/32/462445232.db2.gz JQBFVELIIHYGCW-HXUWFJFHSA-N 2 2 325.456 3.254 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287044 462455084 /nfs/dbraw/zinc/45/50/84/462455084.db2.gz FSVPZCXWAVMKFR-HUUCEWRRSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287044 462455091 /nfs/dbraw/zinc/45/50/91/462455091.db2.gz FSVPZCXWAVMKFR-HUUCEWRRSA-N 2 2 337.895 3.439 20 0 EGADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000649267892 462462484 /nfs/dbraw/zinc/46/24/84/462462484.db2.gz GMRVRDJPRUUPEQ-MSOLQXFVSA-N 2 2 349.837 3.063 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296823 462462939 /nfs/dbraw/zinc/46/29/39/462462939.db2.gz WGCVDCOBBOJQHK-KDOFPFPSSA-N 2 2 338.442 3.129 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171942416 528410782 /nfs/dbraw/zinc/41/07/82/528410782.db2.gz MERUXFFEFMLRRV-UHFFFAOYSA-N 2 2 327.428 3.322 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn2c(cccc2C)n1 ZINC000191470367 528865315 /nfs/dbraw/zinc/86/53/15/528865315.db2.gz PWCANPNAWVHNJX-UHFFFAOYSA-N 2 2 325.460 3.314 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn2c(cccc2C)n1 ZINC000191470367 528865319 /nfs/dbraw/zinc/86/53/19/528865319.db2.gz PWCANPNAWVHNJX-UHFFFAOYSA-N 2 2 325.460 3.314 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(=O)OC)s1 ZINC000191497571 528866043 /nfs/dbraw/zinc/86/60/43/528866043.db2.gz FWAWGVYYHAMYND-UHFFFAOYSA-N 2 2 335.473 3.206 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(=O)OC)s1 ZINC000191497571 528866046 /nfs/dbraw/zinc/86/60/46/528866046.db2.gz FWAWGVYYHAMYND-UHFFFAOYSA-N 2 2 335.473 3.206 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2nccn2CCCc2ccccc2)CC1 ZINC000164361872 529001761 /nfs/dbraw/zinc/00/17/61/529001761.db2.gz IEJOIXKSTLBUIK-UHFFFAOYSA-N 2 2 340.515 3.478 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(F)(F)[C@@H](C)C3)sc2C1 ZINC000356268166 535251533 /nfs/dbraw/zinc/25/15/33/535251533.db2.gz XVYSXZIHMXAUMZ-LBPRGKRZSA-N 2 2 329.460 3.387 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(F)(F)[C@@H](C)C3)sc2C1 ZINC000356268166 535251540 /nfs/dbraw/zinc/25/15/40/535251540.db2.gz XVYSXZIHMXAUMZ-LBPRGKRZSA-N 2 2 329.460 3.387 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC(F)(F)[C@@H](C)C3)sc2C1 ZINC000356268166 535251545 /nfs/dbraw/zinc/25/15/45/535251545.db2.gz XVYSXZIHMXAUMZ-LBPRGKRZSA-N 2 2 329.460 3.387 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000354636338 535721221 /nfs/dbraw/zinc/72/12/21/535721221.db2.gz SGNYHBLJXSGWSD-HUUCEWRRSA-N 2 2 334.460 3.199 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000354636338 535721227 /nfs/dbraw/zinc/72/12/27/535721227.db2.gz SGNYHBLJXSGWSD-HUUCEWRRSA-N 2 2 334.460 3.199 20 0 EGADLP Cc1n[nH]cc1CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169089 546653645 /nfs/dbraw/zinc/65/36/45/546653645.db2.gz OTRODABGYPSCNC-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP Cc1n[nH]cc1CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169089 546653650 /nfs/dbraw/zinc/65/36/50/546653650.db2.gz OTRODABGYPSCNC-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000090401550 546656060 /nfs/dbraw/zinc/65/60/60/546656060.db2.gz XAVYZESZZJWPBB-MRXNPFEDSA-N 2 2 344.528 3.314 20 0 EGADLP Cc1ccc(C[NH+]2CCOCC2)cc1NCc1c[nH+]c2ccccn12 ZINC000151157176 546851395 /nfs/dbraw/zinc/85/13/95/546851395.db2.gz FTZJWLJJTJUZAH-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731775 546859327 /nfs/dbraw/zinc/85/93/27/546859327.db2.gz LAXTXTTWHCUADT-WIYYLYMNSA-N 3 2 331.548 3.259 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155437042 546903187 /nfs/dbraw/zinc/90/31/87/546903187.db2.gz FTFAQTADSKCWOV-KKSFZXQISA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000155437042 546903190 /nfs/dbraw/zinc/90/31/90/546903190.db2.gz FTFAQTADSKCWOV-KKSFZXQISA-N 2 2 337.467 3.398 20 0 EGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000162129246 546963021 /nfs/dbraw/zinc/96/30/21/546963021.db2.gz JFNWTHGKWJJQFP-UHFFFAOYSA-N 3 2 329.532 3.423 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784451 547458098 /nfs/dbraw/zinc/45/80/98/547458098.db2.gz WZMHDVWKMZGUPA-GOEBONIOSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784451 547458101 /nfs/dbraw/zinc/45/81/01/547458101.db2.gz WZMHDVWKMZGUPA-GOEBONIOSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339352483 547575115 /nfs/dbraw/zinc/57/51/15/547575115.db2.gz BDIQGCPJOXBTPI-SJORKVTESA-N 2 2 349.544 3.218 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339352483 547575120 /nfs/dbraw/zinc/57/51/20/547575120.db2.gz BDIQGCPJOXBTPI-SJORKVTESA-N 2 2 349.544 3.218 20 0 EGADLP CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccoc1 ZINC000671679997 548332908 /nfs/dbraw/zinc/33/29/08/548332908.db2.gz MIDHIGJWLFOQMT-UHFFFAOYSA-N 2 2 327.472 3.314 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccoc1 ZINC000671679997 548332914 /nfs/dbraw/zinc/33/29/14/548332914.db2.gz MIDHIGJWLFOQMT-UHFFFAOYSA-N 2 2 327.472 3.314 20 0 EGADLP CC1(C)C[C@@H]([NH2+]Cc2cnn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000671726073 548344769 /nfs/dbraw/zinc/34/47/69/548344769.db2.gz VZQPKTIGPGWUGN-LJQANCHMSA-N 2 2 334.467 3.477 20 0 EGADLP CC1(C)C[C@@H]([NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000671726073 548344771 /nfs/dbraw/zinc/34/47/71/548344771.db2.gz VZQPKTIGPGWUGN-LJQANCHMSA-N 2 2 334.467 3.477 20 0 EGADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000673617156 548582647 /nfs/dbraw/zinc/58/26/47/548582647.db2.gz YBNYFFSYPPONFJ-QGZVFWFLSA-N 2 2 341.842 3.391 20 0 EGADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000676039447 549024838 /nfs/dbraw/zinc/02/48/38/549024838.db2.gz KDBDEOOHDNEWKC-CYBMUJFWSA-N 2 2 345.353 3.048 20 0 EGADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000676039447 549024842 /nfs/dbraw/zinc/02/48/42/549024842.db2.gz KDBDEOOHDNEWKC-CYBMUJFWSA-N 2 2 345.353 3.048 20 0 EGADLP CN(C(=O)C[C@H]1CCCCC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676883437 549172010 /nfs/dbraw/zinc/17/20/10/549172010.db2.gz OVZUPACRCOJJDP-IEBWSBKVSA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)C[C@H]1CCCCC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676883437 549172013 /nfs/dbraw/zinc/17/20/13/549172013.db2.gz OVZUPACRCOJJDP-IEBWSBKVSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1cc(Br)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000678127301 549403439 /nfs/dbraw/zinc/40/34/39/549403439.db2.gz OLFQHAWGFMEPNV-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235490 549436557 /nfs/dbraw/zinc/43/65/57/549436557.db2.gz KLFLJXXISZXSME-KRWDZBQOSA-N 2 2 337.427 3.119 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235490 549436560 /nfs/dbraw/zinc/43/65/60/549436560.db2.gz KLFLJXXISZXSME-KRWDZBQOSA-N 2 2 337.427 3.119 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000678258994 549448316 /nfs/dbraw/zinc/44/83/16/549448316.db2.gz UTUQPHHIXWASAZ-GHMGLMHVSA-N 2 2 333.907 3.065 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000678258994 549448319 /nfs/dbraw/zinc/44/83/19/549448319.db2.gz UTUQPHHIXWASAZ-GHMGLMHVSA-N 2 2 333.907 3.065 20 0 EGADLP FC(F)(F)[C@H]1C[C@H](C(F)(F)F)C[NH+](CCCn2cc[nH+]c2)C1 ZINC000678883794 549587728 /nfs/dbraw/zinc/58/77/28/549587728.db2.gz ULSQHBYQFVZMOH-QWRGUYRKSA-N 2 2 329.288 3.336 20 0 EGADLP C[C@H](CC1CCC1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000679143811 549643953 /nfs/dbraw/zinc/64/39/53/549643953.db2.gz LDWCJHWVVNEZSA-OAHLLOKOSA-N 2 2 342.487 3.428 20 0 EGADLP Cc1ccc([C@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)c(C)[nH+]1 ZINC000679148165 549644712 /nfs/dbraw/zinc/64/47/12/549644712.db2.gz FTZMENMESKPAEP-HNNXBMFYSA-N 2 2 326.444 3.412 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)s1 ZINC000679771083 549774954 /nfs/dbraw/zinc/77/49/54/549774954.db2.gz GFEDWLTXXGQPBX-ACJLOTCBSA-N 2 2 345.512 3.177 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)s1 ZINC000679771083 549774957 /nfs/dbraw/zinc/77/49/57/549774957.db2.gz GFEDWLTXXGQPBX-ACJLOTCBSA-N 2 2 345.512 3.177 20 0 EGADLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1C ZINC000680110576 549822042 /nfs/dbraw/zinc/82/20/42/549822042.db2.gz ULYQVTUCPVOSIU-QGZVFWFLSA-N 2 2 330.403 3.499 20 0 EGADLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1C ZINC000680110576 549822044 /nfs/dbraw/zinc/82/20/44/549822044.db2.gz ULYQVTUCPVOSIU-QGZVFWFLSA-N 2 2 330.403 3.499 20 0 EGADLP Cc1ccc(CNc2cc[nH+]cc2Br)c(N2CCCC2)[nH+]1 ZINC000681394833 549991701 /nfs/dbraw/zinc/99/17/01/549991701.db2.gz XFHVRTYZIZFSGL-UHFFFAOYSA-N 2 2 347.260 3.182 20 0 EGADLP CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000682042833 550066085 /nfs/dbraw/zinc/06/60/85/550066085.db2.gz VQNJGHBLUVNWGR-MRXNPFEDSA-N 2 2 339.361 3.416 20 0 EGADLP CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000682042833 550066086 /nfs/dbraw/zinc/06/60/86/550066086.db2.gz VQNJGHBLUVNWGR-MRXNPFEDSA-N 2 2 339.361 3.416 20 0 EGADLP Oc1cccc2c(NCc3ccccc3C[NH+]3CCOCC3)cc[nH+]c12 ZINC000682237708 550085217 /nfs/dbraw/zinc/08/52/17/550085217.db2.gz NGAKTHTUXDXKIQ-UHFFFAOYSA-N 2 2 349.434 3.385 20 0 EGADLP Brc1cccc2c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cccc12 ZINC000683218366 550204984 /nfs/dbraw/zinc/20/49/84/550204984.db2.gz VSNLTFUFRXPIPQ-ZIAGYGMSSA-N 2 2 331.257 3.254 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204241 550303715 /nfs/dbraw/zinc/30/37/15/550303715.db2.gz IDPDTBXQUZZCBG-LEWJYISDSA-N 2 2 326.484 3.206 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204241 550303720 /nfs/dbraw/zinc/30/37/20/550303720.db2.gz IDPDTBXQUZZCBG-LEWJYISDSA-N 2 2 326.484 3.206 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000684814954 550372151 /nfs/dbraw/zinc/37/21/51/550372151.db2.gz VVCQENIOTPCKCH-QZTJIDSGSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1nn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(=S)n1C1CC1 ZINC000738089889 574705524 /nfs/dbraw/zinc/70/55/24/574705524.db2.gz NTNQULWOEOBDQL-UHFFFAOYSA-N 2 2 337.537 3.067 20 0 EGADLP Cc1nn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(=S)n1C1CC1 ZINC000738089889 574705526 /nfs/dbraw/zinc/70/55/26/574705526.db2.gz NTNQULWOEOBDQL-UHFFFAOYSA-N 2 2 337.537 3.067 20 0 EGADLP Cc1nc(NC(C)(C)C[NH+]2CCCC2)c(Br)c(C)[nH+]1 ZINC000308659757 574710007 /nfs/dbraw/zinc/71/00/07/574710007.db2.gz VBIWRPBXLWHADA-UHFFFAOYSA-N 2 2 327.270 3.142 20 0 EGADLP CCCCCC[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000729582582 574871640 /nfs/dbraw/zinc/87/16/40/574871640.db2.gz IVBXGKIRSKMOEO-QGZVFWFLSA-N 2 2 340.556 3.013 20 0 EGADLP CCCCCC[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000729582582 574871642 /nfs/dbraw/zinc/87/16/42/574871642.db2.gz IVBXGKIRSKMOEO-QGZVFWFLSA-N 2 2 340.556 3.013 20 0 EGADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000732278320 575253580 /nfs/dbraw/zinc/25/35/80/575253580.db2.gz IADIADADZBCNFB-INIZCTEOSA-N 2 2 348.878 3.079 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000743266455 576804861 /nfs/dbraw/zinc/80/48/61/576804861.db2.gz NHVQPDNAUXJXDH-GOSISDBHSA-N 2 2 329.831 3.321 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000585094155 1298027716 /nfs/dbraw/zinc/02/77/16/1298027716.db2.gz KJRGECJMISZTTD-LMNJBCLMSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000585094155 1298027726 /nfs/dbraw/zinc/02/77/26/1298027726.db2.gz KJRGECJMISZTTD-LMNJBCLMSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094155 1298027735 /nfs/dbraw/zinc/02/77/35/1298027735.db2.gz KJRGECJMISZTTD-LMNJBCLMSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094155 1298027741 /nfs/dbraw/zinc/02/77/41/1298027741.db2.gz KJRGECJMISZTTD-LMNJBCLMSA-N 2 2 339.483 3.100 20 0 EGADLP O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC000061014630 1291956719 /nfs/dbraw/zinc/95/67/19/1291956719.db2.gz LBSMDXUYJDLUAI-UHFFFAOYSA-N 2 2 346.774 3.495 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000063548731 1292015684 /nfs/dbraw/zinc/01/56/84/1292015684.db2.gz YKLMFIXIPCAESA-UHFFFAOYSA-N 2 2 327.407 3.253 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3cccc4c3OCCCO4)cc2)c[nH+]1 ZINC000066876386 1292132030 /nfs/dbraw/zinc/13/20/30/1292132030.db2.gz RCHRRVIOXNVRMZ-UHFFFAOYSA-N 2 2 335.407 3.323 20 0 EGADLP Fc1cc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)ccc1-n1cc[nH+]c1 ZINC000067977603 1292180243 /nfs/dbraw/zinc/18/02/43/1292180243.db2.gz KVIURDWVZIBGID-UHFFFAOYSA-N 2 2 348.385 3.086 20 0 EGADLP Fc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000069747545 1292249028 /nfs/dbraw/zinc/24/90/28/1292249028.db2.gz BTWQRMRABXBOAY-UHFFFAOYSA-N 2 2 332.394 3.087 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860747 1292295446 /nfs/dbraw/zinc/29/54/46/1292295446.db2.gz IHDYOUBDYNVQNF-HNNXBMFYSA-N 2 2 340.467 3.055 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860747 1292295447 /nfs/dbraw/zinc/29/54/47/1292295447.db2.gz IHDYOUBDYNVQNF-HNNXBMFYSA-N 2 2 340.467 3.055 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860747 1292295453 /nfs/dbraw/zinc/29/54/53/1292295453.db2.gz IHDYOUBDYNVQNF-HNNXBMFYSA-N 2 2 340.467 3.055 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860747 1292295455 /nfs/dbraw/zinc/29/54/55/1292295455.db2.gz IHDYOUBDYNVQNF-HNNXBMFYSA-N 2 2 340.467 3.055 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000103192281 1292996431 /nfs/dbraw/zinc/99/64/31/1292996431.db2.gz DMAQZGXXAQIWII-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000103192281 1292996441 /nfs/dbraw/zinc/99/64/41/1292996441.db2.gz DMAQZGXXAQIWII-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)[C@H](C)C1 ZINC000834841552 1293156894 /nfs/dbraw/zinc/15/68/94/1293156894.db2.gz WVDSMRHSMPWJJF-CZUORRHYSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)[C@H](C)C1 ZINC000834841552 1293156897 /nfs/dbraw/zinc/15/68/97/1293156897.db2.gz WVDSMRHSMPWJJF-CZUORRHYSA-N 2 2 343.874 3.101 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000116340736 1293204324 /nfs/dbraw/zinc/20/43/24/1293204324.db2.gz XQHOXQKQANGHMU-CQSZACIVSA-N 2 2 332.879 3.172 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000116340736 1293204332 /nfs/dbraw/zinc/20/43/32/1293204332.db2.gz XQHOXQKQANGHMU-CQSZACIVSA-N 2 2 332.879 3.172 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1F ZINC000121178277 1293359496 /nfs/dbraw/zinc/35/94/96/1293359496.db2.gz HYFYCEVFOPVUPL-UHFFFAOYSA-N 2 2 326.375 3.013 20 0 EGADLP COc1ccccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000131117730 1293679850 /nfs/dbraw/zinc/67/98/50/1293679850.db2.gz MHHIZMNYEYHSIH-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc3ccccn23)CC1 ZINC000131179915 1293681641 /nfs/dbraw/zinc/68/16/41/1293681641.db2.gz GGFGEDPIFQMXSO-INIZCTEOSA-N 2 2 335.455 3.045 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[NH+]2CCC(C)CC2)c(N(C)C)[nH+]1 ZINC000162080807 1294306551 /nfs/dbraw/zinc/30/65/51/1294306551.db2.gz ZBURBHTWXHACQS-UHFFFAOYSA-N 2 2 347.507 3.090 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177491484 1294673613 /nfs/dbraw/zinc/67/36/13/1294673613.db2.gz BGJFGPSROVACPA-HOTGVXAUSA-N 2 2 327.513 3.094 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177491484 1294673625 /nfs/dbraw/zinc/67/36/25/1294673625.db2.gz BGJFGPSROVACPA-HOTGVXAUSA-N 2 2 327.513 3.094 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC ZINC000182611250 1295062350 /nfs/dbraw/zinc/06/23/50/1295062350.db2.gz TZIIMKSKZYQELE-VQIMIIECSA-N 3 2 333.520 3.282 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC ZINC000182611250 1295062358 /nfs/dbraw/zinc/06/23/58/1295062358.db2.gz TZIIMKSKZYQELE-VQIMIIECSA-N 3 2 333.520 3.282 20 0 EGADLP Cc1cc(Br)cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1O ZINC000186908924 1295355247 /nfs/dbraw/zinc/35/52/47/1295355247.db2.gz ZUZLOBRNGNHEOC-GFCCVEGCSA-N 2 2 338.249 3.401 20 0 EGADLP CCN(CCC[NH+](CC)CC)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000190966003 1295631823 /nfs/dbraw/zinc/63/18/23/1295631823.db2.gz GKCYDSAJLFFCAP-UHFFFAOYSA-N 2 2 332.496 3.140 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000230969026 1296168036 /nfs/dbraw/zinc/16/80/36/1296168036.db2.gz ZNFDCCHDLUTIBT-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000230969026 1296168042 /nfs/dbraw/zinc/16/80/42/1296168042.db2.gz ZNFDCCHDLUTIBT-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000236862390 1296206844 /nfs/dbraw/zinc/20/68/44/1296206844.db2.gz RYVSMGAZSUKVPP-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000236862390 1296206857 /nfs/dbraw/zinc/20/68/57/1296206857.db2.gz RYVSMGAZSUKVPP-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CN(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000237148631 1296223619 /nfs/dbraw/zinc/22/36/19/1296223619.db2.gz GVLMBFDZRWUZFU-UHFFFAOYSA-N 2 2 337.511 3.373 20 0 EGADLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000872146390 1296767657 /nfs/dbraw/zinc/76/76/57/1296767657.db2.gz MUODRASLYPQQKU-UHFFFAOYSA-N 3 2 327.516 3.173 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873013191 1297221683 /nfs/dbraw/zinc/22/16/83/1297221683.db2.gz WAZNTCSFJPLKJC-GFCCVEGCSA-N 2 2 347.260 3.316 20 0 EGADLP Cc1sc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000873109349 1297275215 /nfs/dbraw/zinc/27/52/15/1297275215.db2.gz MZJIGKJRPYKGND-SNVBAGLBSA-N 2 2 326.263 3.120 20 0 EGADLP Fc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204920 1297349915 /nfs/dbraw/zinc/34/99/15/1297349915.db2.gz LEIOPXDESGFKGT-KRWDZBQOSA-N 2 2 332.444 3.106 20 0 EGADLP Fc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204920 1297349928 /nfs/dbraw/zinc/34/99/28/1297349928.db2.gz LEIOPXDESGFKGT-KRWDZBQOSA-N 2 2 332.444 3.106 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478303 1297426662 /nfs/dbraw/zinc/42/66/62/1297426662.db2.gz XTAFHJLEYWCMDS-ABAIWWIYSA-N 2 2 345.256 3.169 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478303 1297426666 /nfs/dbraw/zinc/42/66/66/1297426666.db2.gz XTAFHJLEYWCMDS-ABAIWWIYSA-N 2 2 345.256 3.169 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632351 1297507326 /nfs/dbraw/zinc/50/73/26/1297507326.db2.gz SIWUQWMZJGLVID-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365632351 1297507336 /nfs/dbraw/zinc/50/73/36/1297507336.db2.gz SIWUQWMZJGLVID-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000378871116 1297522218 /nfs/dbraw/zinc/52/22/18/1297522218.db2.gz NWPVMIPRRGCKKF-UHFFFAOYSA-N 2 2 344.459 3.265 20 0 EGADLP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382945693 1297566332 /nfs/dbraw/zinc/56/63/32/1297566332.db2.gz RTOYYLUAFOTHHO-HXUWFJFHSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382945693 1297566341 /nfs/dbraw/zinc/56/63/41/1297566341.db2.gz RTOYYLUAFOTHHO-HXUWFJFHSA-N 3 2 329.532 3.363 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139909 1298140260 /nfs/dbraw/zinc/14/02/60/1298140260.db2.gz HJVYGQIZZMFLPH-HZPDHXFCSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139909 1298140267 /nfs/dbraw/zinc/14/02/67/1298140267.db2.gz HJVYGQIZZMFLPH-HZPDHXFCSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139907 1298141287 /nfs/dbraw/zinc/14/12/87/1298141287.db2.gz HJVYGQIZZMFLPH-CVEARBPZSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)C1 ZINC000692139907 1298141289 /nfs/dbraw/zinc/14/12/89/1298141289.db2.gz HJVYGQIZZMFLPH-CVEARBPZSA-N 2 2 339.524 3.237 20 0 EGADLP O[C@@H](C[N@H+](Cc1ccc(F)cc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000747683124 1298831238 /nfs/dbraw/zinc/83/12/38/1298831238.db2.gz RWONXSDAPKOAMQ-GOSISDBHSA-N 2 2 338.442 3.166 20 0 EGADLP O[C@@H](C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000747683124 1298831247 /nfs/dbraw/zinc/83/12/47/1298831247.db2.gz RWONXSDAPKOAMQ-GOSISDBHSA-N 2 2 338.442 3.166 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779675 1298983030 /nfs/dbraw/zinc/98/30/30/1298983030.db2.gz BJKTXXHRMZHTNE-CQSZACIVSA-N 2 2 348.441 3.139 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779675 1298983036 /nfs/dbraw/zinc/98/30/36/1298983036.db2.gz BJKTXXHRMZHTNE-CQSZACIVSA-N 2 2 348.441 3.139 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779675 1298983045 /nfs/dbraw/zinc/98/30/45/1298983045.db2.gz BJKTXXHRMZHTNE-CQSZACIVSA-N 2 2 348.441 3.139 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779675 1298983057 /nfs/dbraw/zinc/98/30/57/1298983057.db2.gz BJKTXXHRMZHTNE-CQSZACIVSA-N 2 2 348.441 3.139 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCOCc2ccccc2)CC1 ZINC000877045872 1299131151 /nfs/dbraw/zinc/13/11/51/1299131151.db2.gz FOGGJBBFJPFLEH-SFHVURJKSA-N 2 2 348.531 3.461 20 0 EGADLP Clc1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000877181359 1299197354 /nfs/dbraw/zinc/19/73/54/1299197354.db2.gz BHXAXFLHSCEDDV-UHFFFAOYSA-N 2 2 343.924 3.121 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+](C)CCCn2cc[nH+]c2C)co1 ZINC000878287412 1299893582 /nfs/dbraw/zinc/89/35/82/1299893582.db2.gz BCTDUJXXROYKRQ-UHFFFAOYSA-N 2 2 340.427 3.377 20 0 EGADLP COC1CCC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000753565772 1299975663 /nfs/dbraw/zinc/97/56/63/1299975663.db2.gz JZUASQLRKNRVKX-UHFFFAOYSA-N 2 2 331.504 3.269 20 0 EGADLP CCC/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215931 1300300982 /nfs/dbraw/zinc/30/09/82/1300300982.db2.gz YVSVLWCDQOCPMZ-APAVCVACSA-N 2 2 335.536 3.138 20 0 EGADLP CCC/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215931 1300300985 /nfs/dbraw/zinc/30/09/85/1300300985.db2.gz YVSVLWCDQOCPMZ-APAVCVACSA-N 2 2 335.536 3.138 20 0 EGADLP CCC/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215937 1300301607 /nfs/dbraw/zinc/30/16/07/1300301607.db2.gz YVSVLWCDQOCPMZ-KASMDDHJSA-N 2 2 335.536 3.138 20 0 EGADLP CCC/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215937 1300301618 /nfs/dbraw/zinc/30/16/18/1300301618.db2.gz YVSVLWCDQOCPMZ-KASMDDHJSA-N 2 2 335.536 3.138 20 0 EGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578928 1300613550 /nfs/dbraw/zinc/61/35/50/1300613550.db2.gz XDJGSBGBHOGLFO-FPOVZHCZSA-N 2 2 349.478 3.465 20 0 EGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578928 1300613557 /nfs/dbraw/zinc/61/35/57/1300613557.db2.gz XDJGSBGBHOGLFO-FPOVZHCZSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578928 1300613563 /nfs/dbraw/zinc/61/35/63/1300613563.db2.gz XDJGSBGBHOGLFO-FPOVZHCZSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578928 1300613572 /nfs/dbraw/zinc/61/35/72/1300613572.db2.gz XDJGSBGBHOGLFO-FPOVZHCZSA-N 2 2 349.478 3.465 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578930 1300614755 /nfs/dbraw/zinc/61/47/55/1300614755.db2.gz XDJGSBGBHOGLFO-TZIWHRDSSA-N 2 2 349.478 3.465 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578930 1300614762 /nfs/dbraw/zinc/61/47/62/1300614762.db2.gz XDJGSBGBHOGLFO-TZIWHRDSSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578930 1300614769 /nfs/dbraw/zinc/61/47/69/1300614769.db2.gz XDJGSBGBHOGLFO-TZIWHRDSSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@H]21 ZINC000879578930 1300614780 /nfs/dbraw/zinc/61/47/80/1300614780.db2.gz XDJGSBGBHOGLFO-TZIWHRDSSA-N 2 2 349.478 3.465 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201929 1300980907 /nfs/dbraw/zinc/98/09/07/1300980907.db2.gz VDILDKQHZWHJDZ-UYAOXDASSA-N 2 2 328.500 3.340 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201929 1300980916 /nfs/dbraw/zinc/98/09/16/1300980916.db2.gz VDILDKQHZWHJDZ-UYAOXDASSA-N 2 2 328.500 3.340 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000882948929 1302178527 /nfs/dbraw/zinc/17/85/27/1302178527.db2.gz SAHWTVMSOXDRAX-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765755954 1302319408 /nfs/dbraw/zinc/31/94/08/1302319408.db2.gz APWZGMXWJHLQSE-HNNXBMFYSA-N 2 2 341.503 3.114 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789613 1302327473 /nfs/dbraw/zinc/32/74/73/1302327473.db2.gz BWBYNWNBFZMPBP-INMHGKMJSA-N 2 2 338.879 3.253 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789613 1302327487 /nfs/dbraw/zinc/32/74/87/1302327487.db2.gz BWBYNWNBFZMPBP-INMHGKMJSA-N 2 2 338.879 3.253 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000765973768 1302361629 /nfs/dbraw/zinc/36/16/29/1302361629.db2.gz FNPPAOOABHSMDO-WMLDXEAASA-N 2 2 336.451 3.128 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000766274818 1302420376 /nfs/dbraw/zinc/42/03/76/1302420376.db2.gz WAFQRLQVFLOCOI-OAHLLOKOSA-N 2 2 349.906 3.019 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000766274818 1302420379 /nfs/dbraw/zinc/42/03/79/1302420379.db2.gz WAFQRLQVFLOCOI-OAHLLOKOSA-N 2 2 349.906 3.019 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000769688816 1303158417 /nfs/dbraw/zinc/15/84/17/1303158417.db2.gz CYYBXOZHQWTWJS-IXDOHACOSA-N 2 2 341.540 3.388 20 0 EGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC000770418661 1303266168 /nfs/dbraw/zinc/26/61/68/1303266168.db2.gz UGMXTZXVXAWDIE-HNNXBMFYSA-N 2 2 336.439 3.194 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000886873966 1303620946 /nfs/dbraw/zinc/62/09/46/1303620946.db2.gz CNCKITHAXPHROE-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000886873966 1303620950 /nfs/dbraw/zinc/62/09/50/1303620950.db2.gz CNCKITHAXPHROE-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(F)n3)CC2)cc1 ZINC000773097448 1303623836 /nfs/dbraw/zinc/62/38/36/1303623836.db2.gz UBDDSWQMJNZVHW-UHFFFAOYSA-N 2 2 328.435 3.045 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408100 1303806347 /nfs/dbraw/zinc/80/63/47/1303806347.db2.gz FAEKIFLFAHNHIR-WAOWUJCRSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408100 1303806353 /nfs/dbraw/zinc/80/63/53/1303806353.db2.gz FAEKIFLFAHNHIR-WAOWUJCRSA-N 2 2 344.499 3.379 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000775369810 1303948799 /nfs/dbraw/zinc/94/87/99/1303948799.db2.gz RFUKFNGODNXBCM-IAGOWNOFSA-N 3 2 344.503 3.473 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2cc[nH]n2)cc1C[NH+]1CCCCC1 ZINC000775385766 1303952235 /nfs/dbraw/zinc/95/22/35/1303952235.db2.gz MSJSTJHBJNVVDA-HNNXBMFYSA-N 2 2 328.460 3.255 20 0 EGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000775981775 1304075060 /nfs/dbraw/zinc/07/50/60/1304075060.db2.gz LXFHODMXXXLLDQ-UHFFFAOYSA-N 2 2 328.460 3.025 20 0 EGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000775981775 1304075065 /nfs/dbraw/zinc/07/50/65/1304075065.db2.gz LXFHODMXXXLLDQ-UHFFFAOYSA-N 2 2 328.460 3.025 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000779020882 1304519513 /nfs/dbraw/zinc/51/95/13/1304519513.db2.gz VBIUYCUMYJJBTP-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779071983 1304526264 /nfs/dbraw/zinc/52/62/64/1304526264.db2.gz HTZUSDMRGXQSHL-IXDOHACOSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779071983 1304526269 /nfs/dbraw/zinc/52/62/69/1304526269.db2.gz HTZUSDMRGXQSHL-IXDOHACOSA-N 2 2 339.524 3.144 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000782096786 1304916055 /nfs/dbraw/zinc/91/60/55/1304916055.db2.gz VIAXIAFGXCSMFM-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000782096786 1304916059 /nfs/dbraw/zinc/91/60/59/1304916059.db2.gz VIAXIAFGXCSMFM-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000782096786 1304916063 /nfs/dbraw/zinc/91/60/63/1304916063.db2.gz VIAXIAFGXCSMFM-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000782096786 1304916068 /nfs/dbraw/zinc/91/60/68/1304916068.db2.gz VIAXIAFGXCSMFM-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH+](C)C ZINC000785854352 1305454902 /nfs/dbraw/zinc/45/49/02/1305454902.db2.gz DPUCQBLGNHBISF-BEFAXECRSA-N 2 2 336.439 3.064 20 0 EGADLP O=c1oc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2o1 ZINC000893998265 1306170439 /nfs/dbraw/zinc/17/04/39/1306170439.db2.gz GMKCVZIOQCPOJK-QGZVFWFLSA-N 2 2 344.455 3.474 20 0 EGADLP O=c1oc2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2o1 ZINC000893998265 1306170443 /nfs/dbraw/zinc/17/04/43/1306170443.db2.gz GMKCVZIOQCPOJK-QGZVFWFLSA-N 2 2 344.455 3.474 20 0 EGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790485501 1306335433 /nfs/dbraw/zinc/33/54/33/1306335433.db2.gz NHDIZOYUKCLNMC-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790485501 1306335439 /nfs/dbraw/zinc/33/54/39/1306335439.db2.gz NHDIZOYUKCLNMC-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894324327 1306344108 /nfs/dbraw/zinc/34/41/08/1306344108.db2.gz YBZDCBLSHYFCRP-UHFFFAOYSA-N 2 2 327.472 3.214 20 0 EGADLP CCc1cccc(NC(=O)C[NH2+]C2CC[NH+](CCC(C)C)CC2)c1 ZINC000894988621 1309146550 /nfs/dbraw/zinc/14/65/50/1309146550.db2.gz GWAPVKGPLZAJSR-UHFFFAOYSA-N 2 2 331.504 3.288 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000895748043 1309502636 /nfs/dbraw/zinc/50/26/36/1309502636.db2.gz VFEPRFXACHRHTF-FQEVSTJZSA-N 2 2 346.515 3.261 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000895748044 1309502726 /nfs/dbraw/zinc/50/27/26/1309502726.db2.gz VFEPRFXACHRHTF-HXUWFJFHSA-N 2 2 346.515 3.261 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796258526 1309945881 /nfs/dbraw/zinc/94/58/81/1309945881.db2.gz NWMVCJKUXKPDMP-OFLPRAFFSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796258526 1309945889 /nfs/dbraw/zinc/94/58/89/1309945889.db2.gz NWMVCJKUXKPDMP-OFLPRAFFSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+](CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000796281773 1309951563 /nfs/dbraw/zinc/95/15/63/1309951563.db2.gz YLSRVVLADBUIIS-UHFFFAOYSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@@H+](CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000796281773 1309951567 /nfs/dbraw/zinc/95/15/67/1309951567.db2.gz YLSRVVLADBUIIS-UHFFFAOYSA-N 2 2 339.524 3.144 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc(Cl)n1 ZINC000797601963 1310219851 /nfs/dbraw/zinc/21/98/51/1310219851.db2.gz FUECTABEZSUIRT-UHFFFAOYSA-N 2 2 325.884 3.022 20 0 EGADLP C[C@@H]1CN(c2ccccc2C[NH+]2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000897983025 1310539172 /nfs/dbraw/zinc/53/91/72/1310539172.db2.gz WAIBICHJOOMWFZ-QGZVFWFLSA-N 2 2 343.515 3.018 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC000898032136 1310556674 /nfs/dbraw/zinc/55/66/74/1310556674.db2.gz XMKVWABICAOXCO-CVEARBPZSA-N 2 2 339.524 3.001 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC000898032136 1310556671 /nfs/dbraw/zinc/55/66/71/1310556671.db2.gz XMKVWABICAOXCO-CVEARBPZSA-N 2 2 339.524 3.001 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801875150 1316960635 /nfs/dbraw/zinc/96/06/35/1316960635.db2.gz KCMTZGVCFCECHQ-UHFFFAOYSA-N 2 2 339.439 3.098 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001019139717 1317068299 /nfs/dbraw/zinc/06/82/99/1317068299.db2.gz QVUMTPYRXPFPNU-ZWKOTPCHSA-N 2 2 348.450 3.290 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNc3cccc[nH+]3)cc2)C1 ZINC000900242132 1317257518 /nfs/dbraw/zinc/25/75/18/1317257518.db2.gz KRLTVROTIGBSHQ-MRXNPFEDSA-N 2 2 338.455 3.364 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNc3cccc[nH+]3)cc2)C1 ZINC000900242132 1317257527 /nfs/dbraw/zinc/25/75/27/1317257527.db2.gz KRLTVROTIGBSHQ-MRXNPFEDSA-N 2 2 338.455 3.364 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804007 1328705131 /nfs/dbraw/zinc/70/51/31/1328705131.db2.gz QPNORMURYRYAOF-LJQANCHMSA-N 2 2 341.455 3.085 20 0 EGADLP CC[N@H+](CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1)C(C)C ZINC000957725851 1317592532 /nfs/dbraw/zinc/59/25/32/1317592532.db2.gz HODFOXUUKRQXNV-UHFFFAOYSA-N 2 2 328.460 3.145 20 0 EGADLP CC[N@@H+](CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1)C(C)C ZINC000957725851 1317592538 /nfs/dbraw/zinc/59/25/38/1317592538.db2.gz HODFOXUUKRQXNV-UHFFFAOYSA-N 2 2 328.460 3.145 20 0 EGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(OC)c1 ZINC000903201669 1317673387 /nfs/dbraw/zinc/67/33/87/1317673387.db2.gz ZINJZNFIEUBXCS-IVZBYUQCSA-N 2 2 330.472 3.130 20 0 EGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(OC)c1 ZINC000903201669 1317673392 /nfs/dbraw/zinc/67/33/92/1317673392.db2.gz ZINJZNFIEUBXCS-IVZBYUQCSA-N 2 2 330.472 3.130 20 0 EGADLP Fc1cccc(F)c1C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755241 1317729574 /nfs/dbraw/zinc/72/95/74/1317729574.db2.gz DBETYAWZYQQDIO-HNNXBMFYSA-N 2 2 336.426 3.088 20 0 EGADLP Fc1cccc(F)c1C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755241 1317729578 /nfs/dbraw/zinc/72/95/78/1317729578.db2.gz DBETYAWZYQQDIO-HNNXBMFYSA-N 2 2 336.426 3.088 20 0 EGADLP Fc1cccc(F)c1C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755242 1317729636 /nfs/dbraw/zinc/72/96/36/1317729636.db2.gz DBETYAWZYQQDIO-OAHLLOKOSA-N 2 2 336.426 3.088 20 0 EGADLP Fc1cccc(F)c1C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755242 1317729639 /nfs/dbraw/zinc/72/96/39/1317729639.db2.gz DBETYAWZYQQDIO-OAHLLOKOSA-N 2 2 336.426 3.088 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1OC ZINC000903959638 1317756418 /nfs/dbraw/zinc/75/64/18/1317756418.db2.gz LGONAOKJEHMGQS-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1OC ZINC000903959638 1317756425 /nfs/dbraw/zinc/75/64/25/1317756425.db2.gz LGONAOKJEHMGQS-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1C(F)(F)F ZINC000903969415 1317758493 /nfs/dbraw/zinc/75/84/93/1317758493.db2.gz FODUPZHZTQMPJG-OAHLLOKOSA-N 2 2 342.405 3.262 20 0 EGADLP CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000958791591 1317847008 /nfs/dbraw/zinc/84/70/08/1317847008.db2.gz UECBHGNTJLXDGA-IBGZPJMESA-N 2 2 348.450 3.072 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(C)[nH+]1 ZINC000907211789 1318198078 /nfs/dbraw/zinc/19/80/78/1318198078.db2.gz NLYOGJOWXTWDQZ-UHFFFAOYSA-N 2 2 338.455 3.048 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615343 1318465430 /nfs/dbraw/zinc/46/54/30/1318465430.db2.gz XDUYRYUGARQWAJ-KXBFYZLASA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615343 1318465433 /nfs/dbraw/zinc/46/54/33/1318465433.db2.gz XDUYRYUGARQWAJ-KXBFYZLASA-N 2 2 340.471 3.145 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](CO)C3CCCCC3)CC2)cc1 ZINC000812836096 1318467860 /nfs/dbraw/zinc/46/78/60/1318467860.db2.gz MYAXXXJPCPAFJX-OAQYLSRUSA-N 2 2 345.531 3.252 20 0 EGADLP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812839844 1318469297 /nfs/dbraw/zinc/46/92/97/1318469297.db2.gz KSYLXTSLBKWPSJ-HXUWFJFHSA-N 2 2 347.547 3.354 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000813337076 1318537984 /nfs/dbraw/zinc/53/79/84/1318537984.db2.gz MBKCSRUUNKLDDI-CQSZACIVSA-N 2 2 329.419 3.242 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584623 1319023129 /nfs/dbraw/zinc/02/31/29/1319023129.db2.gz JRHVDYSLVDLPRF-JKSUJKDBSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584623 1319023139 /nfs/dbraw/zinc/02/31/39/1319023139.db2.gz JRHVDYSLVDLPRF-JKSUJKDBSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905020 1319047281 /nfs/dbraw/zinc/04/72/81/1319047281.db2.gz UUJNNUMVEAMIHE-AEFFLSMTSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905020 1319047290 /nfs/dbraw/zinc/04/72/90/1319047290.db2.gz UUJNNUMVEAMIHE-AEFFLSMTSA-N 2 2 346.519 3.193 20 0 EGADLP Cc1ccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2=O)cc1 ZINC000817906310 1319457305 /nfs/dbraw/zinc/45/73/05/1319457305.db2.gz XCWUJMFZOIEEPH-JBACZVJFSA-N 2 2 349.478 3.183 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951587 1319474848 /nfs/dbraw/zinc/47/48/48/1319474848.db2.gz GVOAAHWCYVWTIB-QFBILLFUSA-N 3 2 331.504 3.084 20 0 EGADLP CCc1cc2oc(=O)cc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])c2cc1Cl ZINC000818339702 1319529215 /nfs/dbraw/zinc/52/92/15/1319529215.db2.gz DUXPPNJPDFDVHK-HZPDHXFCSA-N 2 2 334.847 3.368 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445171 1319543266 /nfs/dbraw/zinc/54/32/66/1319543266.db2.gz IJIWEXFFYOGABR-CABCVRRESA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445171 1319543271 /nfs/dbraw/zinc/54/32/71/1319543271.db2.gz IJIWEXFFYOGABR-CABCVRRESA-N 2 2 328.460 3.051 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413913 1319568668 /nfs/dbraw/zinc/56/86/68/1319568668.db2.gz HALJEUDVEWPVLL-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413913 1319568679 /nfs/dbraw/zinc/56/86/79/1319568679.db2.gz HALJEUDVEWPVLL-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccccc1C(F)(F)F ZINC000819085023 1319630362 /nfs/dbraw/zinc/63/03/62/1319630362.db2.gz HQBLABNOMBOERF-OAHLLOKOSA-N 2 2 339.361 3.226 20 0 EGADLP CC(C)CC[C@H](O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000819109136 1319637551 /nfs/dbraw/zinc/63/75/51/1319637551.db2.gz UJHOWNLJNAEPMV-FQEVSTJZSA-N 2 2 333.520 3.108 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586037 1319708455 /nfs/dbraw/zinc/70/84/55/1319708455.db2.gz SEDDTEUJVARADS-IRXDYDNUSA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586037 1319708462 /nfs/dbraw/zinc/70/84/62/1319708462.db2.gz SEDDTEUJVARADS-IRXDYDNUSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(NC1CC(C[NH2+]CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000961989044 1319794600 /nfs/dbraw/zinc/79/46/00/1319794600.db2.gz RRLPHORZOVRVMB-UHFFFAOYSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000823830907 1320209595 /nfs/dbraw/zinc/20/95/95/1320209595.db2.gz IYBVYEDKSFUZLG-PMPSAXMXSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000823830907 1320209599 /nfs/dbraw/zinc/20/95/99/1320209599.db2.gz IYBVYEDKSFUZLG-PMPSAXMXSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000824559421 1320264597 /nfs/dbraw/zinc/26/45/97/1320264597.db2.gz TWROSUOTCLXIOA-IBGZPJMESA-N 2 2 343.515 3.196 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000841091997 1321217507 /nfs/dbraw/zinc/21/75/07/1321217507.db2.gz JDJKHNIEMVOGEJ-UHFFFAOYSA-N 2 2 346.906 3.433 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843058528 1321464007 /nfs/dbraw/zinc/46/40/07/1321464007.db2.gz VCHGJVCXJOLPQD-CZUORRHYSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843058528 1321464012 /nfs/dbraw/zinc/46/40/12/1321464012.db2.gz VCHGJVCXJOLPQD-CZUORRHYSA-N 2 2 332.879 3.062 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353681 1321505411 /nfs/dbraw/zinc/50/54/11/1321505411.db2.gz MTGDXFYXAGWAQI-ARFHVFGLSA-N 2 2 331.504 3.370 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353681 1321505415 /nfs/dbraw/zinc/50/54/15/1321505415.db2.gz MTGDXFYXAGWAQI-ARFHVFGLSA-N 2 2 331.504 3.370 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355225 1321505481 /nfs/dbraw/zinc/50/54/81/1321505481.db2.gz XCGNDDCPJHQPAP-BEFAXECRSA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355225 1321505488 /nfs/dbraw/zinc/50/54/88/1321505488.db2.gz XCGNDDCPJHQPAP-BEFAXECRSA-N 2 2 327.472 3.472 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1SC(F)(F)F ZINC000843367979 1321508107 /nfs/dbraw/zinc/50/81/07/1321508107.db2.gz MPXGEXBIOYRWIX-OAHLLOKOSA-N 2 2 346.418 3.493 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1SC(F)(F)F ZINC000843367979 1321508110 /nfs/dbraw/zinc/50/81/10/1321508110.db2.gz MPXGEXBIOYRWIX-OAHLLOKOSA-N 2 2 346.418 3.493 20 0 EGADLP C[C@H](CC(=O)OC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845476254 1321711419 /nfs/dbraw/zinc/71/14/19/1321711419.db2.gz DIQJWGXVQADWGU-YLJYHZDGSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@H](CC(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845476254 1321711423 /nfs/dbraw/zinc/71/14/23/1321711423.db2.gz DIQJWGXVQADWGU-YLJYHZDGSA-N 2 2 341.455 3.432 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])NCc1ccc(C)cc1)c1ccco1 ZINC000849050786 1322058834 /nfs/dbraw/zinc/05/88/34/1322058834.db2.gz IGYLKIRJVYZLRP-RDJZCZTQSA-N 2 2 328.460 3.331 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000849056206 1322061095 /nfs/dbraw/zinc/06/10/95/1322061095.db2.gz ZZRGAAZPMMLTSC-SFHVURJKSA-N 2 2 328.435 3.051 20 0 EGADLP CCc1ccc([C@@H](CNC(=[NH2+])NCc2ccc(C)cc2)[NH+](C)C)cc1 ZINC000849057825 1322061701 /nfs/dbraw/zinc/06/17/01/1322061701.db2.gz TZALXDSSRPJLJH-HXUWFJFHSA-N 2 2 338.499 3.474 20 0 EGADLP Fc1cc(C[NH2+]Cc2cnn(CC3CCC3)c2)ccc1-n1cc[nH+]c1 ZINC000921591374 1322360245 /nfs/dbraw/zinc/36/02/45/1322360245.db2.gz SXGDCSWJDHXFQR-UHFFFAOYSA-N 2 2 339.418 3.298 20 0 EGADLP Cc1[nH+]ccn1CCCOC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000923832268 1322821182 /nfs/dbraw/zinc/82/11/82/1322821182.db2.gz UXWZOPOVRFZACA-UHFFFAOYSA-N 2 2 331.416 3.018 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000931136756 1329057881 /nfs/dbraw/zinc/05/78/81/1329057881.db2.gz RWNUKJXUIOTOKJ-LZWOXQAQSA-N 2 2 326.444 3.040 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000931136756 1329057884 /nfs/dbraw/zinc/05/78/84/1329057884.db2.gz RWNUKJXUIOTOKJ-LZWOXQAQSA-N 2 2 326.444 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cc(CO)on1 ZINC000924596943 1323068338 /nfs/dbraw/zinc/06/83/38/1323068338.db2.gz ATWRHEPQFHDVHN-MRXNPFEDSA-N 2 2 343.471 3.250 20 0 EGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924605596 1323072235 /nfs/dbraw/zinc/07/22/35/1323072235.db2.gz WTCTUVANMPEILD-HNNXBMFYSA-N 2 2 328.460 3.461 20 0 EGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924622117 1323079447 /nfs/dbraw/zinc/07/94/47/1323079447.db2.gz AFTULMOUWBMPIZ-FXAWDEMLSA-N 2 2 327.472 3.352 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000924632906 1323085306 /nfs/dbraw/zinc/08/53/06/1323085306.db2.gz SZLUQSUEPNPZLU-XPGWFJOJSA-N 2 2 349.494 3.101 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681685 1323110929 /nfs/dbraw/zinc/11/09/29/1323110929.db2.gz ZXSDOSXAYSZUSL-MDZRGWNJSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681685 1323110937 /nfs/dbraw/zinc/11/09/37/1323110937.db2.gz ZXSDOSXAYSZUSL-MDZRGWNJSA-N 2 2 339.487 3.448 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852108351 1323149129 /nfs/dbraw/zinc/14/91/29/1323149129.db2.gz BUKSJCPGJJVFSD-OAQYLSRUSA-N 2 2 340.467 3.273 20 0 EGADLP CCc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852108351 1323149133 /nfs/dbraw/zinc/14/91/33/1323149133.db2.gz BUKSJCPGJJVFSD-OAQYLSRUSA-N 2 2 340.467 3.273 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852108351 1323149134 /nfs/dbraw/zinc/14/91/34/1323149134.db2.gz BUKSJCPGJJVFSD-OAQYLSRUSA-N 2 2 340.467 3.273 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852108351 1323149138 /nfs/dbraw/zinc/14/91/38/1323149138.db2.gz BUKSJCPGJJVFSD-OAQYLSRUSA-N 2 2 340.467 3.273 20 0 EGADLP OCCC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924778304 1323159756 /nfs/dbraw/zinc/15/97/56/1323159756.db2.gz VUJNMQCVAFSLKQ-AEFFLSMTSA-N 2 2 331.435 3.432 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ncnn21 ZINC000924865308 1323191472 /nfs/dbraw/zinc/19/14/72/1323191472.db2.gz FHWYJWBTZJNNCI-APWZRJJASA-N 2 2 339.487 3.450 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001024183408 1323194336 /nfs/dbraw/zinc/19/43/36/1323194336.db2.gz AQIHTPGEPLOKHG-IRXDYDNUSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1cc(CO)on1 ZINC000924963915 1323230367 /nfs/dbraw/zinc/23/03/67/1323230367.db2.gz NKMCQVKUTYEOEV-INIZCTEOSA-N 2 2 343.471 3.250 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493322 1323444507 /nfs/dbraw/zinc/44/45/07/1323444507.db2.gz VRPZIWYKXJOYBC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493322 1323444511 /nfs/dbraw/zinc/44/45/11/1323444511.db2.gz VRPZIWYKXJOYBC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493322 1323444513 /nfs/dbraw/zinc/44/45/13/1323444513.db2.gz VRPZIWYKXJOYBC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493322 1323444515 /nfs/dbraw/zinc/44/45/15/1323444515.db2.gz VRPZIWYKXJOYBC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244223 1324042089 /nfs/dbraw/zinc/04/20/89/1324042089.db2.gz UEUIZKMIQFYFIB-MSOLQXFVSA-N 2 2 346.519 3.182 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244223 1324042095 /nfs/dbraw/zinc/04/20/95/1324042095.db2.gz UEUIZKMIQFYFIB-MSOLQXFVSA-N 2 2 346.519 3.182 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244224 1324042267 /nfs/dbraw/zinc/04/22/67/1324042267.db2.gz UEUIZKMIQFYFIB-QZTJIDSGSA-N 2 2 346.519 3.182 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244224 1324042272 /nfs/dbraw/zinc/04/22/72/1324042272.db2.gz UEUIZKMIQFYFIB-QZTJIDSGSA-N 2 2 346.519 3.182 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480996 1324329399 /nfs/dbraw/zinc/32/93/99/1324329399.db2.gz CSXDWLVYKAURDL-IRXDYDNUSA-N 2 2 340.471 3.131 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480996 1324329403 /nfs/dbraw/zinc/32/94/03/1324329403.db2.gz CSXDWLVYKAURDL-IRXDYDNUSA-N 2 2 340.471 3.131 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493419 1324344396 /nfs/dbraw/zinc/34/43/96/1324344396.db2.gz NSBPIPLWAGYBHY-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493419 1324344401 /nfs/dbraw/zinc/34/44/01/1324344401.db2.gz NSBPIPLWAGYBHY-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000931727800 1329172576 /nfs/dbraw/zinc/17/25/76/1329172576.db2.gz YXGLMAYIBVWWPI-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000931727800 1329172579 /nfs/dbraw/zinc/17/25/79/1329172579.db2.gz YXGLMAYIBVWWPI-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000931727800 1329172581 /nfs/dbraw/zinc/17/25/81/1329172581.db2.gz YXGLMAYIBVWWPI-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000931727800 1329172585 /nfs/dbraw/zinc/17/25/85/1329172585.db2.gz YXGLMAYIBVWWPI-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925797068 1325305766 /nfs/dbraw/zinc/30/57/66/1325305766.db2.gz NXNAIDYCQCHKOC-DZGCQCFKSA-N 2 2 337.533 3.384 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174279 1325457530 /nfs/dbraw/zinc/45/75/30/1325457530.db2.gz QYOHUULZLKMDFJ-BXUZGUMPSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174279 1325457534 /nfs/dbraw/zinc/45/75/34/1325457534.db2.gz QYOHUULZLKMDFJ-BXUZGUMPSA-N 2 2 334.407 3.016 20 0 EGADLP COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926614433 1327635448 /nfs/dbraw/zinc/63/54/48/1327635448.db2.gz HVQXCXLKXGMTLG-STQMWFEESA-N 2 2 347.484 3.403 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435804 1327676244 /nfs/dbraw/zinc/67/62/44/1327676244.db2.gz LNGZQEIJIPQMJD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435804 1327676251 /nfs/dbraw/zinc/67/62/51/1327676251.db2.gz LNGZQEIJIPQMJD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435804 1327676261 /nfs/dbraw/zinc/67/62/61/1327676261.db2.gz LNGZQEIJIPQMJD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435804 1327676272 /nfs/dbraw/zinc/67/62/72/1327676272.db2.gz LNGZQEIJIPQMJD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462372 1327709742 /nfs/dbraw/zinc/70/97/42/1327709742.db2.gz FBJSWRKCCAIVQM-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462372 1327709745 /nfs/dbraw/zinc/70/97/45/1327709745.db2.gz FBJSWRKCCAIVQM-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3CCC(C)(C)C)ccn12 ZINC001027883225 1328351443 /nfs/dbraw/zinc/35/14/43/1328351443.db2.gz HAQQQVFGYHIWAL-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@H+]3CCC(C)(C)C)ccn12 ZINC001027883225 1328351449 /nfs/dbraw/zinc/35/14/49/1328351449.db2.gz HAQQQVFGYHIWAL-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@@H+]3CCC(C)(C)C)ccn12 ZINC001027883226 1328352600 /nfs/dbraw/zinc/35/26/00/1328352600.db2.gz HAQQQVFGYHIWAL-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@H+]3CCC(C)(C)C)ccn12 ZINC001027883226 1328352606 /nfs/dbraw/zinc/35/26/06/1328352606.db2.gz HAQQQVFGYHIWAL-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC23CCOCC3)CC1 ZINC000865777941 1329737313 /nfs/dbraw/zinc/73/73/13/1329737313.db2.gz NWNVOSYAHUDSJM-CQSZACIVSA-N 2 2 334.426 3.200 20 0 EGADLP c1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)nc1 ZINC000932386143 1329810837 /nfs/dbraw/zinc/81/08/37/1329810837.db2.gz OFBKEMDKSDQORF-NRFANRHFSA-N 2 2 337.467 3.155 20 0 EGADLP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000933242424 1329874072 /nfs/dbraw/zinc/87/40/72/1329874072.db2.gz XBQQGNBNILXIPI-INIZCTEOSA-N 2 2 330.394 3.204 20 0 EGADLP CCC[N@H+](CCn1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184716 1329953147 /nfs/dbraw/zinc/95/31/47/1329953147.db2.gz GKJFNPXINRZHGI-UHFFFAOYSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[N@@H+](CCn1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184716 1329953148 /nfs/dbraw/zinc/95/31/48/1329953148.db2.gz GKJFNPXINRZHGI-UHFFFAOYSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[N@H+](CCC1OCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188903 1329953520 /nfs/dbraw/zinc/95/35/20/1329953520.db2.gz POIZPFWTNLDPPI-UHFFFAOYSA-N 2 2 332.488 3.126 20 0 EGADLP CCC[N@@H+](CCC1OCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188903 1329953521 /nfs/dbraw/zinc/95/35/21/1329953521.db2.gz POIZPFWTNLDPPI-UHFFFAOYSA-N 2 2 332.488 3.126 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288014 1330041730 /nfs/dbraw/zinc/04/17/30/1330041730.db2.gz SEXUTHUOLCDYPA-WBVHZDCISA-N 2 2 348.450 3.203 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935288014 1330041731 /nfs/dbraw/zinc/04/17/31/1330041731.db2.gz SEXUTHUOLCDYPA-WBVHZDCISA-N 2 2 348.450 3.203 20 0 EGADLP CC(C)[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccn1 ZINC000866324179 1330096303 /nfs/dbraw/zinc/09/63/03/1330096303.db2.gz QDQLHONYBKNRNE-FXAWDEMLSA-N 2 2 339.487 3.426 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000936013220 1330104920 /nfs/dbraw/zinc/10/49/20/1330104920.db2.gz LOARUJRNVJUOIL-UHFFFAOYSA-N 2 2 328.460 3.291 20 0 EGADLP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000866470566 1330116547 /nfs/dbraw/zinc/11/65/47/1330116547.db2.gz ZEQRJTDKKPOZMG-INIZCTEOSA-N 2 2 333.505 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC000944443643 1332412788 /nfs/dbraw/zinc/41/27/88/1332412788.db2.gz HMVGTDFJQQOXEH-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)C[C@H]1C ZINC000944443643 1332412794 /nfs/dbraw/zinc/41/27/94/1332412794.db2.gz HMVGTDFJQQOXEH-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803643 1332903219 /nfs/dbraw/zinc/90/32/19/1332903219.db2.gz OVOJDTWYXUEHRM-QRVBRYPASA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803643 1332903221 /nfs/dbraw/zinc/90/32/21/1332903221.db2.gz OVOJDTWYXUEHRM-QRVBRYPASA-N 2 2 346.519 3.051 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CC4CCC4)[C@@H](C)C3)ccn12 ZINC000947315659 1333086017 /nfs/dbraw/zinc/08/60/17/1333086017.db2.gz XHGGCQXMVOHULH-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CC4CCC4)[C@@H](C)C3)ccn12 ZINC000947315659 1333086020 /nfs/dbraw/zinc/08/60/20/1333086020.db2.gz XHGGCQXMVOHULH-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000947540526 1333164410 /nfs/dbraw/zinc/16/44/10/1333164410.db2.gz VAPNQXQYVZSMLJ-SJLPKXTDSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000947540526 1333164411 /nfs/dbraw/zinc/16/44/11/1333164411.db2.gz VAPNQXQYVZSMLJ-SJLPKXTDSA-N 2 2 348.450 3.117 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878757 1333288800 /nfs/dbraw/zinc/28/88/00/1333288800.db2.gz RUBVAOSGIVCBAJ-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878757 1333288804 /nfs/dbraw/zinc/28/88/04/1333288804.db2.gz RUBVAOSGIVCBAJ-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947980067 1333330400 /nfs/dbraw/zinc/33/04/00/1333330400.db2.gz NKMSEPDKBYPRGU-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947980067 1333330402 /nfs/dbraw/zinc/33/04/02/1333330402.db2.gz NKMSEPDKBYPRGU-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005531653 1336368805 /nfs/dbraw/zinc/36/88/05/1336368805.db2.gz ANFBCJAKFDGJAA-QZTJIDSGSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005531653 1336368807 /nfs/dbraw/zinc/36/88/07/1336368807.db2.gz ANFBCJAKFDGJAA-QZTJIDSGSA-N 2 2 344.503 3.016 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528938 1336664153 /nfs/dbraw/zinc/66/41/53/1336664153.db2.gz ICMUBKGMPKCIFI-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528938 1336664157 /nfs/dbraw/zinc/66/41/57/1336664157.db2.gz ICMUBKGMPKCIFI-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528938 1336664161 /nfs/dbraw/zinc/66/41/61/1336664161.db2.gz ICMUBKGMPKCIFI-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528938 1336664163 /nfs/dbraw/zinc/66/41/63/1336664163.db2.gz ICMUBKGMPKCIFI-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC001014901543 1337943076 /nfs/dbraw/zinc/94/30/76/1337943076.db2.gz LYUNIOQZLJQNDB-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CC3CCCCCC3)C2)c[nH+]1 ZINC001014901543 1337943081 /nfs/dbraw/zinc/94/30/81/1337943081.db2.gz LYUNIOQZLJQNDB-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938572 1337958823 /nfs/dbraw/zinc/95/88/23/1337958823.db2.gz VCDIWIWAQJUVMV-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938572 1337958827 /nfs/dbraw/zinc/95/88/27/1337958827.db2.gz VCDIWIWAQJUVMV-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)[nH+]1 ZINC001017168604 1338914305 /nfs/dbraw/zinc/91/43/05/1338914305.db2.gz PSVWVOSVHQAZAN-SFHVURJKSA-N 2 2 329.488 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)[nH+]1 ZINC001017168604 1338914310 /nfs/dbraw/zinc/91/43/10/1338914310.db2.gz PSVWVOSVHQAZAN-SFHVURJKSA-N 2 2 329.488 3.201 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001017172259 1338917573 /nfs/dbraw/zinc/91/75/73/1338917573.db2.gz KMDCQRQEKZQWOC-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001017172259 1338917577 /nfs/dbraw/zinc/91/75/77/1338917577.db2.gz KMDCQRQEKZQWOC-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239331 1340499764 /nfs/dbraw/zinc/49/97/64/1340499764.db2.gz KDGMAEUSHRDMIZ-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239331 1340499765 /nfs/dbraw/zinc/49/97/65/1340499765.db2.gz KDGMAEUSHRDMIZ-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001029090258 1340928222 /nfs/dbraw/zinc/92/82/22/1340928222.db2.gz AFKATRAFOOSVCE-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001030527710 1341194287 /nfs/dbraw/zinc/19/42/87/1341194287.db2.gz QHGVTZDIAXNHNH-OAHLLOKOSA-N 2 2 348.450 3.355 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001030529109 1341194597 /nfs/dbraw/zinc/19/45/97/1341194597.db2.gz UBNPPBBAHGSHPI-HUUCEWRRSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)c1ccccc1C[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030683892 1341208714 /nfs/dbraw/zinc/20/87/14/1341208714.db2.gz CLCFMJFPFUKZKX-UHFFFAOYSA-N 2 2 348.450 3.072 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191925 1341748794 /nfs/dbraw/zinc/74/87/94/1341748794.db2.gz MFTJNVYSNODCFW-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191925 1341748795 /nfs/dbraw/zinc/74/87/95/1341748795.db2.gz MFTJNVYSNODCFW-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001033192757 1341748824 /nfs/dbraw/zinc/74/88/24/1341748824.db2.gz PZCYCUUARSEFII-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001033192757 1341748826 /nfs/dbraw/zinc/74/88/26/1341748826.db2.gz PZCYCUUARSEFII-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033873560 1342052922 /nfs/dbraw/zinc/05/29/22/1342052922.db2.gz QHDXBBCHXKNEBV-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033873560 1342052923 /nfs/dbraw/zinc/05/29/23/1342052923.db2.gz QHDXBBCHXKNEBV-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP Cc1cc(C)c(C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)c(C)[nH+]1 ZINC001034820332 1342782798 /nfs/dbraw/zinc/78/27/98/1342782798.db2.gz JROOWDIWATWHMM-UHFFFAOYSA-N 2 2 337.467 3.436 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245641 1343067401 /nfs/dbraw/zinc/06/74/01/1343067401.db2.gz WLHSSAGRMUDLFH-INIZCTEOSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245641 1343067405 /nfs/dbraw/zinc/06/74/05/1343067405.db2.gz WLHSSAGRMUDLFH-INIZCTEOSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036265256 1343385689 /nfs/dbraw/zinc/38/56/89/1343385689.db2.gz LAXJXNHQQFXHBS-DOTOQJQBSA-N 2 2 344.503 3.014 20 0 EGADLP C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C[NH2+]CC1CCC1 ZINC001036559452 1343553696 /nfs/dbraw/zinc/55/36/96/1343553696.db2.gz MCXLORQKKYZLEL-IFXJQAMLSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C[NH2+]CC1CCC1 ZINC001036559451 1343553783 /nfs/dbraw/zinc/55/37/83/1343553783.db2.gz MCXLORQKKYZLEL-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001040683397 1345565929 /nfs/dbraw/zinc/56/59/29/1345565929.db2.gz PVNXQPLQWKKEKW-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041405701 1345719260 /nfs/dbraw/zinc/71/92/60/1345719260.db2.gz DYSKZFXDUCOYEK-HXUWFJFHSA-N 2 2 338.455 3.067 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041405701 1345719262 /nfs/dbraw/zinc/71/92/62/1345719262.db2.gz DYSKZFXDUCOYEK-HXUWFJFHSA-N 2 2 338.455 3.067 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001043198657 1346152502 /nfs/dbraw/zinc/15/25/02/1346152502.db2.gz XKZJRQPVRYMPDU-XLIONFOSSA-N 2 2 343.515 3.011 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001043198657 1346152503 /nfs/dbraw/zinc/15/25/03/1346152503.db2.gz XKZJRQPVRYMPDU-XLIONFOSSA-N 2 2 343.515 3.011 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2=CCCCC2)C1 ZINC001044168188 1346264744 /nfs/dbraw/zinc/26/47/44/1346264744.db2.gz FTFRBFCLVCCHBM-HXUWFJFHSA-N 2 2 347.547 3.284 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CC2=CCCCC2)C1 ZINC001044168188 1346264750 /nfs/dbraw/zinc/26/47/50/1346264750.db2.gz FTFRBFCLVCCHBM-HXUWFJFHSA-N 2 2 347.547 3.284 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001044842796 1346442946 /nfs/dbraw/zinc/44/29/46/1346442946.db2.gz SCXFHLJAYXKIJP-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045862303 1346724826 /nfs/dbraw/zinc/72/48/26/1346724826.db2.gz ZCFXNVFEAHTAFR-JQHSSLGASA-N 2 2 346.519 3.090 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045862303 1346724828 /nfs/dbraw/zinc/72/48/28/1346724828.db2.gz ZCFXNVFEAHTAFR-JQHSSLGASA-N 2 2 346.519 3.090 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045862303 1346724832 /nfs/dbraw/zinc/72/48/32/1346724832.db2.gz ZCFXNVFEAHTAFR-JQHSSLGASA-N 2 2 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ZINC001184651376 1387503152 /nfs/dbraw/zinc/50/31/52/1387503152.db2.gz DOTYWQAOPNUTFZ-GOEBONIOSA-N 2 2 340.471 3.051 20 0 EGADLP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184653957 1387504211 /nfs/dbraw/zinc/50/42/11/1387504211.db2.gz USSXMWOBRHBWQW-CABCVRRESA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250996 1363714017 /nfs/dbraw/zinc/71/40/17/1363714017.db2.gz FDLLMSFUFRKURT-ZWKOTPCHSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099250996 1363714019 /nfs/dbraw/zinc/71/40/19/1363714019.db2.gz FDLLMSFUFRKURT-ZWKOTPCHSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663558 1364209461 /nfs/dbraw/zinc/20/94/61/1364209461.db2.gz YKBFMBGEXRQOHP-GPANFISMSA-N 2 2 346.519 3.140 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581234 1364634091 /nfs/dbraw/zinc/63/40/91/1364634091.db2.gz OZUSAHNJEJFJHP-MRXNPFEDSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581234 1364634094 /nfs/dbraw/zinc/63/40/94/1364634094.db2.gz OZUSAHNJEJFJHP-MRXNPFEDSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926865 1365296023 /nfs/dbraw/zinc/29/60/23/1365296023.db2.gz YNQUTFHPRVSCMD-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102926865 1365296025 /nfs/dbraw/zinc/29/60/25/1365296025.db2.gz YNQUTFHPRVSCMD-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001104435875 1366028203 /nfs/dbraw/zinc/02/82/03/1366028203.db2.gz LHFQHIYZIBEQQQ-RDTXWAMCSA-N 2 2 329.488 3.105 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C[NH2+]CCC(C)(C)C ZINC001185787885 1387799482 /nfs/dbraw/zinc/79/94/82/1387799482.db2.gz JGIXFDYBFLWNEP-MSOLQXFVSA-N 2 2 348.535 3.174 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566210 1366534310 /nfs/dbraw/zinc/53/43/10/1366534310.db2.gz GRIYWHDKHWNDIN-MSOLQXFVSA-N 2 2 346.519 3.385 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)CCC1 ZINC001105581026 1366543394 /nfs/dbraw/zinc/54/33/94/1366543394.db2.gz AGMAADVLXHIEKD-SFHVURJKSA-N 2 2 346.519 3.214 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433135 1366961956 /nfs/dbraw/zinc/96/19/56/1366961956.db2.gz PNFINMNPNUBYJD-UYAOXDASSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433135 1366961959 /nfs/dbraw/zinc/96/19/59/1366961959.db2.gz PNFINMNPNUBYJD-UYAOXDASSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433135 1366961960 /nfs/dbraw/zinc/96/19/60/1366961960.db2.gz PNFINMNPNUBYJD-UYAOXDASSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433135 1366961962 /nfs/dbraw/zinc/96/19/62/1366961962.db2.gz PNFINMNPNUBYJD-UYAOXDASSA-N 2 2 346.519 3.283 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432962 1366961978 /nfs/dbraw/zinc/96/19/78/1366961978.db2.gz HLISGJPHOZYYHB-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432962 1366961979 /nfs/dbraw/zinc/96/19/79/1366961979.db2.gz HLISGJPHOZYYHB-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432962 1366961980 /nfs/dbraw/zinc/96/19/80/1366961980.db2.gz HLISGJPHOZYYHB-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432962 1366961981 /nfs/dbraw/zinc/96/19/81/1366961981.db2.gz HLISGJPHOZYYHB-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445412 1366965860 /nfs/dbraw/zinc/96/58/60/1366965860.db2.gz XBCOXMMQTIXIDD-QWFCFKBJSA-N 2 2 346.519 3.241 20 0 EGADLP CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445412 1366965861 /nfs/dbraw/zinc/96/58/61/1366965861.db2.gz XBCOXMMQTIXIDD-QWFCFKBJSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)c[nH+]1 ZINC001110707743 1367940681 /nfs/dbraw/zinc/94/06/81/1367940681.db2.gz RVUQNSQUGZJMQP-KURKYZTESA-N 2 2 346.519 3.084 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)c[nH+]1 ZINC001110707743 1367940686 /nfs/dbraw/zinc/94/06/86/1367940686.db2.gz RVUQNSQUGZJMQP-KURKYZTESA-N 2 2 346.519 3.084 20 0 EGADLP Clc1cc(Cl)cc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC001193991502 1368162378 /nfs/dbraw/zinc/16/23/78/1368162378.db2.gz VPYHYOIBHKJYAV-UHFFFAOYSA-N 2 2 325.243 3.081 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885217 1368528890 /nfs/dbraw/zinc/52/88/90/1368528890.db2.gz FQDCADBDVFBHDI-BJLQDIEVSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885217 1368528894 /nfs/dbraw/zinc/52/88/94/1368528894.db2.gz FQDCADBDVFBHDI-BJLQDIEVSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](C[C@H](C)CC(C)C)CC2)c[nH+]1 ZINC001196268894 1368579428 /nfs/dbraw/zinc/57/94/28/1368579428.db2.gz NWCYKTLRYWYNIC-QGZVFWFLSA-N 2 2 348.535 3.143 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](C[C@H](C)CC(C)C)CC2)c[nH+]1 ZINC001196268894 1368579434 /nfs/dbraw/zinc/57/94/34/1368579434.db2.gz NWCYKTLRYWYNIC-QGZVFWFLSA-N 2 2 348.535 3.143 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccsc2)cc1 ZINC001198008292 1368941148 /nfs/dbraw/zinc/94/11/48/1368941148.db2.gz VSDNOTRZQIJKHJ-UHFFFAOYSA-N 2 2 331.485 3.384 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccsc2)cc1 ZINC001198008292 1368941152 /nfs/dbraw/zinc/94/11/52/1368941152.db2.gz VSDNOTRZQIJKHJ-UHFFFAOYSA-N 2 2 331.485 3.384 20 0 EGADLP CC(C)CCC[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112995095 1369127407 /nfs/dbraw/zinc/12/74/07/1369127407.db2.gz SBCWPWCLTSRRGX-GOSISDBHSA-N 2 2 334.508 3.051 20 0 EGADLP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001186612721 1387986089 /nfs/dbraw/zinc/98/60/89/1387986089.db2.gz NWJOUVZVHWKAFG-SFHVURJKSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001186612721 1387986092 /nfs/dbraw/zinc/98/60/92/1387986092.db2.gz NWJOUVZVHWKAFG-SFHVURJKSA-N 2 2 346.519 3.024 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001199335729 1369209918 /nfs/dbraw/zinc/20/99/18/1369209918.db2.gz BHIHRRZNWUYJPM-UHFFFAOYSA-N 2 2 348.450 3.411 20 0 EGADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC001113433462 1369424236 /nfs/dbraw/zinc/42/42/36/1369424236.db2.gz LVTOEAJQKKRVPW-UHFFFAOYSA-N 2 2 346.519 3.086 20 0 EGADLP CC[C@@H](OC1CCCC1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001325564870 1388003594 /nfs/dbraw/zinc/00/35/94/1388003594.db2.gz NVCMPTHUNGUUAT-QGZVFWFLSA-N 2 2 328.416 3.252 20 0 EGADLP CC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001201863602 1369635953 /nfs/dbraw/zinc/63/59/53/1369635953.db2.gz IHILYDRPRKFKKY-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001325629883 1388015636 /nfs/dbraw/zinc/01/56/36/1388015636.db2.gz QATRAGQJBAJHLK-BJWYYQGGSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001325629883 1388015643 /nfs/dbraw/zinc/01/56/43/1388015643.db2.gz QATRAGQJBAJHLK-BJWYYQGGSA-N 2 2 346.519 3.138 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)c(C)c[nH+]1 ZINC001202245768 1369722699 /nfs/dbraw/zinc/72/26/99/1369722699.db2.gz PSZKIDKDYZRUPZ-SFHVURJKSA-N 2 2 344.503 3.239 20 0 EGADLP C[C@@H](CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001202693884 1369853330 /nfs/dbraw/zinc/85/33/30/1369853330.db2.gz FDKQBHKGYRSPES-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203011837 1369953382 /nfs/dbraw/zinc/95/33/82/1369953382.db2.gz BVMNEUCAOSEBLM-DLBZAZTESA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203011837 1369953385 /nfs/dbraw/zinc/95/33/85/1369953385.db2.gz BVMNEUCAOSEBLM-DLBZAZTESA-N 2 2 346.519 3.186 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)o1 ZINC001203291698 1370064913 /nfs/dbraw/zinc/06/49/13/1370064913.db2.gz AADSDYKOIBMFTA-UHFFFAOYSA-N 2 2 330.428 3.048 20 0 EGADLP COc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203427381 1370121957 /nfs/dbraw/zinc/12/19/57/1370121957.db2.gz GMEXGFKOUUNZQM-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203427381 1370121961 /nfs/dbraw/zinc/12/19/61/1370121961.db2.gz GMEXGFKOUUNZQM-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203427381 1370121963 /nfs/dbraw/zinc/12/19/63/1370121963.db2.gz GMEXGFKOUUNZQM-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001203427381 1370121966 /nfs/dbraw/zinc/12/19/66/1370121966.db2.gz GMEXGFKOUUNZQM-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001204145762 1370390515 /nfs/dbraw/zinc/39/05/15/1370390515.db2.gz UPAQQKJYDHJVIE-UHFFFAOYSA-N 2 2 342.483 3.314 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001204145762 1370390519 /nfs/dbraw/zinc/39/05/19/1370390519.db2.gz UPAQQKJYDHJVIE-UHFFFAOYSA-N 2 2 342.483 3.314 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC001204272805 1370428447 /nfs/dbraw/zinc/42/84/47/1370428447.db2.gz SQKHHFZBXRHIOI-IBGZPJMESA-N 2 2 340.471 3.144 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC001204272805 1370428450 /nfs/dbraw/zinc/42/84/50/1370428450.db2.gz SQKHHFZBXRHIOI-IBGZPJMESA-N 2 2 340.471 3.144 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001204291219 1370433740 /nfs/dbraw/zinc/43/37/40/1370433740.db2.gz HYCXMQHCTMHOOG-UHFFFAOYSA-N 2 2 326.444 3.106 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@@H]3C2)nc1 ZINC001204502503 1370494514 /nfs/dbraw/zinc/49/45/14/1370494514.db2.gz SLRCZPXOJYMHMC-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5ccccc5n4)C[C@@H]3C2)nc1 ZINC001204502503 1370494515 /nfs/dbraw/zinc/49/45/15/1370494515.db2.gz SLRCZPXOJYMHMC-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@@H]3C2)nc1 ZINC001204502503 1370494518 /nfs/dbraw/zinc/49/45/18/1370494518.db2.gz SLRCZPXOJYMHMC-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@@H]3C2)nc1 ZINC001204502503 1370494520 /nfs/dbraw/zinc/49/45/20/1370494520.db2.gz SLRCZPXOJYMHMC-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204674635 1370541913 /nfs/dbraw/zinc/54/19/13/1370541913.db2.gz BEKVEKBTMNWKSR-UHFFFAOYSA-N 2 2 325.456 3.258 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204674635 1370541919 /nfs/dbraw/zinc/54/19/19/1370541919.db2.gz BEKVEKBTMNWKSR-UHFFFAOYSA-N 2 2 325.456 3.258 20 0 EGADLP [NH3+]CC[C@H]1C[N@H+](Cc2ccc3ccccc3c2Br)CCO1 ZINC001204756160 1370567473 /nfs/dbraw/zinc/56/74/73/1370567473.db2.gz MCSMSFCYLRJNHB-HNNXBMFYSA-N 2 2 349.272 3.152 20 0 EGADLP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2Br)CCO1 ZINC001204756160 1370567478 /nfs/dbraw/zinc/56/74/78/1370567478.db2.gz MCSMSFCYLRJNHB-HNNXBMFYSA-N 2 2 349.272 3.152 20 0 EGADLP CCCCCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115567150 1370568281 /nfs/dbraw/zinc/56/82/81/1370568281.db2.gz RIZFJPIQUCSZFV-UHFFFAOYSA-N 2 2 334.508 3.331 20 0 EGADLP CCCCCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115567150 1370568285 /nfs/dbraw/zinc/56/82/85/1370568285.db2.gz RIZFJPIQUCSZFV-UHFFFAOYSA-N 2 2 334.508 3.331 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655956 1370641808 /nfs/dbraw/zinc/64/18/08/1370641808.db2.gz UIPIROXYYGIXHW-UHFFFAOYSA-N 2 2 334.508 3.118 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280903 1370704960 /nfs/dbraw/zinc/70/49/60/1370704960.db2.gz LKVDVNJHULDLKX-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205280903 1370704963 /nfs/dbraw/zinc/70/49/63/1370704963.db2.gz LKVDVNJHULDLKX-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725191 1370705350 /nfs/dbraw/zinc/70/53/50/1370705350.db2.gz PKBUNKDZBUSDAD-HNNXBMFYSA-N 2 2 332.492 3.038 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303275 1370713590 /nfs/dbraw/zinc/71/35/90/1370713590.db2.gz BWFNBLWZPSOAKU-ZWNOBZJWSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303275 1370713595 /nfs/dbraw/zinc/71/35/95/1370713595.db2.gz BWFNBLWZPSOAKU-ZWNOBZJWSA-N 2 2 329.257 3.313 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001115736056 1370719383 /nfs/dbraw/zinc/71/93/83/1370719383.db2.gz BOEZWKMFYGLIDN-IAGOWNOFSA-N 2 2 346.519 3.123 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752421 1370733686 /nfs/dbraw/zinc/73/36/86/1370733686.db2.gz BJPSKCDKGTVIDE-IRXDYDNUSA-N 2 2 334.508 3.289 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC(C[NH2+]CCC2CC2)CC1)n1cc[nH+]c1 ZINC001205500049 1370773287 /nfs/dbraw/zinc/77/32/87/1370773287.db2.gz CQSVULUBJWJQQQ-LJQANCHMSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)=CC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500350 1370773378 /nfs/dbraw/zinc/77/33/78/1370773378.db2.gz RSXYBGIIVALFGG-IBGZPJMESA-N 2 2 346.519 3.265 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500407 1370773549 /nfs/dbraw/zinc/77/35/49/1370773549.db2.gz UYQOBSQJEFVMCQ-IEBWSBKVSA-N 2 2 348.535 3.345 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](CCCc2ccccc2Br)CCC1(F)F ZINC001205735587 1370855812 /nfs/dbraw/zinc/85/58/12/1370855812.db2.gz OMBDNXBFGMVMDE-CYBMUJFWSA-N 2 2 347.247 3.298 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccccc2Br)CCC1(F)F ZINC001205735587 1370855819 /nfs/dbraw/zinc/85/58/19/1370855819.db2.gz OMBDNXBFGMVMDE-CYBMUJFWSA-N 2 2 347.247 3.298 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205912907 1370908546 /nfs/dbraw/zinc/90/85/46/1370908546.db2.gz DUZYLZYBBGKCPD-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205912907 1370908550 /nfs/dbraw/zinc/90/85/50/1370908550.db2.gz DUZYLZYBBGKCPD-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026243 1370941905 /nfs/dbraw/zinc/94/19/05/1370941905.db2.gz RCAVIFBHFIKSQJ-GDBMZVCRSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026243 1370941909 /nfs/dbraw/zinc/94/19/09/1370941909.db2.gz RCAVIFBHFIKSQJ-GDBMZVCRSA-N 3 2 332.879 3.333 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206211046 1370994468 /nfs/dbraw/zinc/99/44/68/1370994468.db2.gz MNLABFPRSSKHRY-QWHCGFSZSA-N 2 2 345.256 3.109 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1Br ZINC001206211046 1370994471 /nfs/dbraw/zinc/99/44/71/1370994471.db2.gz MNLABFPRSSKHRY-QWHCGFSZSA-N 2 2 345.256 3.109 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]C[C@@H]3C)o2)cc1 ZINC001206257328 1371005679 /nfs/dbraw/zinc/00/56/79/1371005679.db2.gz ANDPIFNIZGVSSF-HNNXBMFYSA-N 2 2 342.439 3.307 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]C[C@@H]3C)o2)cc1 ZINC001206257328 1371005683 /nfs/dbraw/zinc/00/56/83/1371005683.db2.gz ANDPIFNIZGVSSF-HNNXBMFYSA-N 2 2 342.439 3.307 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068730 1371009612 /nfs/dbraw/zinc/00/96/12/1371009612.db2.gz NECWLISCDGSECA-VAMGGRTRSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068730 1371009614 /nfs/dbraw/zinc/00/96/14/1371009614.db2.gz NECWLISCDGSECA-VAMGGRTRSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068730 1371009619 /nfs/dbraw/zinc/00/96/19/1371009619.db2.gz NECWLISCDGSECA-VAMGGRTRSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@@H]([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068730 1371009622 /nfs/dbraw/zinc/00/96/22/1371009622.db2.gz NECWLISCDGSECA-VAMGGRTRSA-N 2 2 348.556 3.493 20 0 EGADLP Cn1ccc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)n1 ZINC001206280023 1371010836 /nfs/dbraw/zinc/01/08/36/1371010836.db2.gz MIDGSFDBGBZEFG-UHFFFAOYSA-N 2 2 347.466 3.221 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(O)c(Br)c2)CC1 ZINC001206318255 1371019607 /nfs/dbraw/zinc/01/96/07/1371019607.db2.gz OMFZJPKXCKBMEP-HNNXBMFYSA-N 2 2 345.256 3.245 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(O)c(Br)c2)CC1 ZINC001206318255 1371019613 /nfs/dbraw/zinc/01/96/13/1371019613.db2.gz OMFZJPKXCKBMEP-HNNXBMFYSA-N 2 2 345.256 3.245 20 0 EGADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001206409533 1371046986 /nfs/dbraw/zinc/04/69/86/1371046986.db2.gz HXRPXOIVMZVRBT-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206427574 1371051661 /nfs/dbraw/zinc/05/16/61/1371051661.db2.gz IYRKURBSNYQLBD-QZTJIDSGSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(Br)c1 ZINC001206641381 1371115946 /nfs/dbraw/zinc/11/59/46/1371115946.db2.gz WMLITWFZLSUQFJ-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(Br)c1 ZINC001206641381 1371115949 /nfs/dbraw/zinc/11/59/49/1371115949.db2.gz WMLITWFZLSUQFJ-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCC2CCCCCC2)CC1 ZINC001206684424 1371133125 /nfs/dbraw/zinc/13/31/25/1371133125.db2.gz ZFHSITNBMJOHHK-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001206742590 1371151282 /nfs/dbraw/zinc/15/12/82/1371151282.db2.gz GFWWYMQRAJTLFQ-UHFFFAOYSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812203 1371177821 /nfs/dbraw/zinc/17/78/21/1371177821.db2.gz XWUQGTDEKVXUQP-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206812203 1371177823 /nfs/dbraw/zinc/17/78/23/1371177823.db2.gz XWUQGTDEKVXUQP-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP CC(C)(C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)c1c[nH+]c[nH]1 ZINC001206872884 1371198765 /nfs/dbraw/zinc/19/87/65/1371198765.db2.gz XFFCSBKKNIBIFW-UHFFFAOYSA-N 2 2 346.519 3.096 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC001118573461 1371201051 /nfs/dbraw/zinc/20/10/51/1371201051.db2.gz ZKJHSWUDWRBNIJ-FQEVSTJZSA-N 2 2 332.488 3.161 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487430 1371410592 /nfs/dbraw/zinc/41/05/92/1371410592.db2.gz IUJLXWKLRHHVSI-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487430 1371410595 /nfs/dbraw/zinc/41/05/95/1371410595.db2.gz IUJLXWKLRHHVSI-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP Cc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001207537915 1371429006 /nfs/dbraw/zinc/42/90/06/1371429006.db2.gz VPFQCDYWKZITTJ-YADHBBJMSA-N 2 2 335.495 3.386 20 0 EGADLP Cc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001207537915 1371429012 /nfs/dbraw/zinc/42/90/12/1371429012.db2.gz VPFQCDYWKZITTJ-YADHBBJMSA-N 2 2 335.495 3.386 20 0 EGADLP Cc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001207537915 1371429017 /nfs/dbraw/zinc/42/90/17/1371429017.db2.gz VPFQCDYWKZITTJ-YADHBBJMSA-N 2 2 335.495 3.386 20 0 EGADLP Cc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001207537915 1371429021 /nfs/dbraw/zinc/42/90/21/1371429021.db2.gz VPFQCDYWKZITTJ-YADHBBJMSA-N 2 2 335.495 3.386 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001120010682 1371454359 /nfs/dbraw/zinc/45/43/59/1371454359.db2.gz ULDIGTGZDUEAAR-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168496 1371615360 /nfs/dbraw/zinc/61/53/60/1371615360.db2.gz HYOJNHPXTSJHRA-LWYYNNOASA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168496 1371615363 /nfs/dbraw/zinc/61/53/63/1371615363.db2.gz HYOJNHPXTSJHRA-LWYYNNOASA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168496 1371615365 /nfs/dbraw/zinc/61/53/65/1371615365.db2.gz HYOJNHPXTSJHRA-LWYYNNOASA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168496 1371615369 /nfs/dbraw/zinc/61/53/69/1371615369.db2.gz HYOJNHPXTSJHRA-LWYYNNOASA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170352 1371617126 /nfs/dbraw/zinc/61/71/26/1371617126.db2.gz PZWCGMRAMXQXEH-WJMWBRGCSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170352 1371617132 /nfs/dbraw/zinc/61/71/32/1371617132.db2.gz PZWCGMRAMXQXEH-WJMWBRGCSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170352 1371617140 /nfs/dbraw/zinc/61/71/40/1371617140.db2.gz PZWCGMRAMXQXEH-WJMWBRGCSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170352 1371617145 /nfs/dbraw/zinc/61/71/45/1371617145.db2.gz PZWCGMRAMXQXEH-WJMWBRGCSA-N 2 2 342.531 3.166 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411177 1371757375 /nfs/dbraw/zinc/75/73/75/1371757375.db2.gz OLRIDNZQBUILBW-ZEVQVBBLSA-N 2 2 346.519 3.254 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551826 1371813995 /nfs/dbraw/zinc/81/39/95/1371813995.db2.gz PAZOJMMRDROGTE-CHYADLBTSA-N 2 2 340.471 3.275 20 0 EGADLP C[NH+]1CCC([N@H+](C[C@H]2COC3(CCCCC3)O2)C2CCCC2)CC1 ZINC001208650150 1371851596 /nfs/dbraw/zinc/85/15/96/1371851596.db2.gz VXACOKVNBIWREW-IBGZPJMESA-N 2 2 336.520 3.401 20 0 EGADLP C[NH+]1CCC([N@@H+](C[C@H]2COC3(CCCCC3)O2)C2CCCC2)CC1 ZINC001208650150 1371851602 /nfs/dbraw/zinc/85/16/02/1371851602.db2.gz VXACOKVNBIWREW-IBGZPJMESA-N 2 2 336.520 3.401 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208740755 1371880688 /nfs/dbraw/zinc/88/06/88/1371880688.db2.gz UOBDAAYSDLMDFX-OALUTQOASA-N 2 2 341.886 3.341 20 0 EGADLP CC[C@H](CCC(=O)OC)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208791058 1371898198 /nfs/dbraw/zinc/89/81/98/1371898198.db2.gz JHBBRAXYCQTHFX-MRXNPFEDSA-N 2 2 329.444 3.284 20 0 EGADLP CC[C@H](CCC(=O)OC)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208791058 1371898200 /nfs/dbraw/zinc/89/82/00/1371898200.db2.gz JHBBRAXYCQTHFX-MRXNPFEDSA-N 2 2 329.444 3.284 20 0 EGADLP CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208805228 1371901750 /nfs/dbraw/zinc/90/17/50/1371901750.db2.gz AWQCIFXSCXHBQS-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP O=C1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944297 1371957548 /nfs/dbraw/zinc/95/75/48/1371957548.db2.gz PCTYKBDDXQDVBY-TZIWHRDSSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944297 1371957550 /nfs/dbraw/zinc/95/75/50/1371957550.db2.gz PCTYKBDDXQDVBY-TZIWHRDSSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944297 1371957556 /nfs/dbraw/zinc/95/75/56/1371957556.db2.gz PCTYKBDDXQDVBY-TZIWHRDSSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944297 1371957560 /nfs/dbraw/zinc/95/75/60/1371957560.db2.gz PCTYKBDDXQDVBY-TZIWHRDSSA-N 2 2 342.483 3.070 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985505 1371967779 /nfs/dbraw/zinc/96/77/79/1371967779.db2.gz UEXJYSSNMGICTQ-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985505 1371967783 /nfs/dbraw/zinc/96/77/83/1371967783.db2.gz UEXJYSSNMGICTQ-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP O=C(OCC[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001209045769 1371981695 /nfs/dbraw/zinc/98/16/95/1371981695.db2.gz RGHDQJPAJIIOCO-LJQANCHMSA-N 2 2 330.472 3.184 20 0 EGADLP O=C(OCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1)c1ccccc1 ZINC001209045769 1371981696 /nfs/dbraw/zinc/98/16/96/1371981696.db2.gz RGHDQJPAJIIOCO-LJQANCHMSA-N 2 2 330.472 3.184 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121501014 1371994052 /nfs/dbraw/zinc/99/40/52/1371994052.db2.gz ONOYAGCEMWUFDZ-UHFFFAOYSA-N 2 2 346.519 3.117 20 0 EGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001209355780 1372077082 /nfs/dbraw/zinc/07/70/82/1372077082.db2.gz ULJHFMBALBZNSO-UHFFFAOYSA-N 2 2 336.480 3.092 20 0 EGADLP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121848923 1372101141 /nfs/dbraw/zinc/10/11/41/1372101141.db2.gz SYELGQCGWMNDRH-CLDFGMERSA-N 2 2 344.503 3.208 20 0 EGADLP CC[C@@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475592 1372116509 /nfs/dbraw/zinc/11/65/09/1372116509.db2.gz UWEUNNHSDLQUBM-JKSUJKDBSA-N 2 2 349.475 3.146 20 0 EGADLP CC[C@@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475592 1372116510 /nfs/dbraw/zinc/11/65/10/1372116510.db2.gz UWEUNNHSDLQUBM-JKSUJKDBSA-N 2 2 349.475 3.146 20 0 EGADLP c1nc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCCC2 ZINC001209503062 1372122398 /nfs/dbraw/zinc/12/23/98/1372122398.db2.gz RJKLYVDAPCUMCS-LJQANCHMSA-N 2 2 329.488 3.247 20 0 EGADLP c1nc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCCC2 ZINC001209503062 1372122401 /nfs/dbraw/zinc/12/24/01/1372122401.db2.gz RJKLYVDAPCUMCS-LJQANCHMSA-N 2 2 329.488 3.247 20 0 EGADLP CC(C)(C)[C@H]([NH3+])CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001122049891 1372162093 /nfs/dbraw/zinc/16/20/93/1372162093.db2.gz MLHOZDBXYXVHMA-QGZVFWFLSA-N 2 2 338.455 3.304 20 0 EGADLP CC(C)[N@H+](Cc1c[nH+]ccc1N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209733035 1372179466 /nfs/dbraw/zinc/17/94/66/1372179466.db2.gz PEEFMBBWFVANJO-MRXNPFEDSA-N 2 2 348.491 3.104 20 0 EGADLP CC(C)[N@@H+](Cc1c[nH+]ccc1N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209733035 1372179469 /nfs/dbraw/zinc/17/94/69/1372179469.db2.gz PEEFMBBWFVANJO-MRXNPFEDSA-N 2 2 348.491 3.104 20 0 EGADLP COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209733347 1372179508 /nfs/dbraw/zinc/17/95/08/1372179508.db2.gz KWDJHDDNLCKWKT-SFHVURJKSA-N 2 2 325.412 3.008 20 0 EGADLP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209733347 1372179514 /nfs/dbraw/zinc/17/95/14/1372179514.db2.gz KWDJHDDNLCKWKT-SFHVURJKSA-N 2 2 325.412 3.008 20 0 EGADLP Cc1cc(N)[nH+]cc1Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001209968347 1372243513 /nfs/dbraw/zinc/24/35/13/1372243513.db2.gz YBUMNJDVYUETGM-UHFFFAOYSA-N 2 2 331.851 3.121 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051931 1372263254 /nfs/dbraw/zinc/26/32/54/1372263254.db2.gz LVQMPWGWKDBQDU-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051931 1372263258 /nfs/dbraw/zinc/26/32/58/1372263258.db2.gz LVQMPWGWKDBQDU-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP COc1cc(Nc2ccc(OC3CC[NH+](C)CC3)cn2)cc(C)[nH+]1 ZINC001210780276 1372425127 /nfs/dbraw/zinc/42/51/27/1372425127.db2.gz MZXXZOMRIPUIOR-UHFFFAOYSA-N 2 2 328.416 3.010 20 0 EGADLP COc1cc(Nc2c(F)cccc2N2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001210783999 1372426262 /nfs/dbraw/zinc/42/62/62/1372426262.db2.gz KLQWZAQNAVSZIJ-UHFFFAOYSA-N 2 2 330.407 3.033 20 0 EGADLP FC(F)(F)[C@H]1C[NH2+][C@H](c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C1 ZINC001211654513 1372596543 /nfs/dbraw/zinc/59/65/43/1372596543.db2.gz MEEZZBDOEQWIRO-PWSUYJOCSA-N 2 2 349.316 3.135 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnnn2-c2ccccc2)[nH+]1 ZINC001326487182 1388211542 /nfs/dbraw/zinc/21/15/42/1388211542.db2.gz LJURGYDVVJVPFJ-SFHVURJKSA-N 2 2 348.454 3.047 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnnn2-c2ccccc2)[nH+]1 ZINC001326487182 1388211549 /nfs/dbraw/zinc/21/15/49/1388211549.db2.gz LJURGYDVVJVPFJ-SFHVURJKSA-N 2 2 348.454 3.047 20 0 EGADLP C[NH+]1CCN(c2ccc(F)cc2Nc2cccc3[nH+]c[nH]c32)CC1 ZINC001213032138 1372824175 /nfs/dbraw/zinc/82/41/75/1372824175.db2.gz VOXQWTBBWHBKMS-UHFFFAOYSA-N 2 2 325.391 3.197 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1c(C)cc[nH+]c1C ZINC001213539391 1372923214 /nfs/dbraw/zinc/92/32/14/1372923214.db2.gz ZFQIXXJRMYHXCS-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc3ncccc3c2)c(C)[nH+]1 ZINC001131560165 1373720920 /nfs/dbraw/zinc/72/09/20/1373720920.db2.gz ABHKYHHEGDCHEB-UHFFFAOYSA-N 2 2 348.450 3.075 20 0 EGADLP Cc1ccc(CCC[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001131560235 1373721806 /nfs/dbraw/zinc/72/18/06/1373721806.db2.gz DGOBRLMFLBUNQL-UHFFFAOYSA-N 2 2 339.483 3.267 20 0 EGADLP CCCCCCc1csc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222515506 1373851144 /nfs/dbraw/zinc/85/11/44/1373851144.db2.gz SZAHYUPWMLAZFK-OALUTQOASA-N 2 2 335.561 3.397 20 0 EGADLP CCCCCCc1csc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222515506 1373851146 /nfs/dbraw/zinc/85/11/46/1373851146.db2.gz SZAHYUPWMLAZFK-OALUTQOASA-N 2 2 335.561 3.397 20 0 EGADLP CC(C)(C)CCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976290 1375079568 /nfs/dbraw/zinc/07/95/68/1375079568.db2.gz KFZGUXMOEDFSRI-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001225647288 1375138355 /nfs/dbraw/zinc/13/83/55/1375138355.db2.gz YMDNAYHWMGYUNE-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CCC/C=C/CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225647007 1375138441 /nfs/dbraw/zinc/13/84/41/1375138441.db2.gz PTEUBGZXDCBMRU-SNAWJCMRSA-N 2 2 346.519 3.238 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226885188 1375352282 /nfs/dbraw/zinc/35/22/82/1375352282.db2.gz KBEVTIPXBCVUJV-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001226885188 1375352287 /nfs/dbraw/zinc/35/22/87/1375352287.db2.gz KBEVTIPXBCVUJV-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001227137998 1375396264 /nfs/dbraw/zinc/39/62/64/1375396264.db2.gz FOFZWBPNFQYBFJ-SJORKVTESA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001227137996 1375396299 /nfs/dbraw/zinc/39/62/99/1375396299.db2.gz FOFZWBPNFQYBFJ-IAGOWNOFSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546332 1375453705 /nfs/dbraw/zinc/45/37/05/1375453705.db2.gz KFPYCJXAANJQKE-ROUUACIJSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546332 1375453711 /nfs/dbraw/zinc/45/37/11/1375453711.db2.gz KFPYCJXAANJQKE-ROUUACIJSA-N 2 2 334.508 3.069 20 0 EGADLP CCCCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546546 1375453775 /nfs/dbraw/zinc/45/37/75/1375453775.db2.gz NTHQOZYBBXLPNE-QZTJIDSGSA-N 2 2 334.508 3.213 20 0 EGADLP CCCCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546546 1375453779 /nfs/dbraw/zinc/45/37/79/1375453779.db2.gz NTHQOZYBBXLPNE-QZTJIDSGSA-N 2 2 334.508 3.213 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546933 1375454804 /nfs/dbraw/zinc/45/48/04/1375454804.db2.gz UTERNRVOTUNFAJ-AEFFLSMTSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546933 1375454808 /nfs/dbraw/zinc/45/48/08/1375454808.db2.gz UTERNRVOTUNFAJ-AEFFLSMTSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922813 1375491497 /nfs/dbraw/zinc/49/14/97/1375491497.db2.gz GJZHJAALCFCRQW-LJQANCHMSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001227986676 1375498615 /nfs/dbraw/zinc/49/86/15/1375498615.db2.gz JHAUJGUNXCCZRJ-HNNXBMFYSA-N 2 2 342.487 3.439 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132782099 1375561078 /nfs/dbraw/zinc/56/10/78/1375561078.db2.gz JGPVZSBRUMDSMN-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP CC1(C)CCC(C[NH+]2CCC(NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001228534868 1375590369 /nfs/dbraw/zinc/59/03/69/1375590369.db2.gz NOBLPVJSHYPLCA-UHFFFAOYSA-N 2 2 346.519 3.070 20 0 EGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132921550 1375646427 /nfs/dbraw/zinc/64/64/27/1375646427.db2.gz ZUKBDNYQEQFPCA-ZBFHGGJFSA-N 2 2 328.460 3.051 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228835597 1375689487 /nfs/dbraw/zinc/68/94/87/1375689487.db2.gz GZZKJSDNFZBNJS-KZNAEPCWSA-N 2 2 334.508 3.432 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001132993386 1375700900 /nfs/dbraw/zinc/70/09/00/1375700900.db2.gz RHZBUANUMDMBJJ-CXAGYDPISA-N 2 2 335.467 3.054 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](C/C=C\Cl)CC1)c1ccccc1 ZINC001230017118 1375931175 /nfs/dbraw/zinc/93/11/75/1375931175.db2.gz UHENKKUUXQJWFU-RYKGSNAESA-N 2 2 349.906 3.013 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](C/C=C\Cl)CC1)c1ccccc1 ZINC001230017118 1375931205 /nfs/dbraw/zinc/93/12/05/1375931205.db2.gz UHENKKUUXQJWFU-RYKGSNAESA-N 2 2 349.906 3.013 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133362978 1375945382 /nfs/dbraw/zinc/94/53/82/1375945382.db2.gz BINDSPYXIBWNDA-RBUKOAKNSA-N 2 2 348.535 3.174 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552335 1376074666 /nfs/dbraw/zinc/07/46/66/1376074666.db2.gz NDXSVZMPTLNLSZ-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552335 1376074677 /nfs/dbraw/zinc/07/46/77/1376074677.db2.gz NDXSVZMPTLNLSZ-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CCc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001231638916 1376288313 /nfs/dbraw/zinc/28/83/13/1376288313.db2.gz WLDHCQGXFLVZQC-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001231638916 1376288319 /nfs/dbraw/zinc/28/83/19/1376288319.db2.gz WLDHCQGXFLVZQC-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001231638916 1376288323 /nfs/dbraw/zinc/28/83/23/1376288323.db2.gz WLDHCQGXFLVZQC-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001231638916 1376288327 /nfs/dbraw/zinc/28/83/27/1376288327.db2.gz WLDHCQGXFLVZQC-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)nc1 ZINC001231638919 1376289534 /nfs/dbraw/zinc/28/95/34/1376289534.db2.gz WLDHCQGXFLVZQC-IRXDYDNUSA-N 2 2 327.497 3.269 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(OC)c2)CC1 ZINC001233214555 1376588367 /nfs/dbraw/zinc/58/83/67/1376588367.db2.gz AGFVWBQJDXHXAZ-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(OC)c2)CC1 ZINC001233214555 1376588372 /nfs/dbraw/zinc/58/83/72/1376588372.db2.gz AGFVWBQJDXHXAZ-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CCCCC2)c[nH+]1 ZINC001134728816 1376681610 /nfs/dbraw/zinc/68/16/10/1376681610.db2.gz BWCXRWCXZVRPNP-CVEARBPZSA-N 2 2 348.535 3.380 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729776 1376681988 /nfs/dbraw/zinc/68/19/88/1376681988.db2.gz MRHWTBUVHYTSSU-JKSUJKDBSA-N 2 2 336.524 3.380 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC2CCCC2)c[nH+]1 ZINC001134730202 1376682428 /nfs/dbraw/zinc/68/24/28/1376682428.db2.gz UJBLXOKGPYKLJI-HOTGVXAUSA-N 2 2 348.535 3.380 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730315 1376682975 /nfs/dbraw/zinc/68/29/75/1376682975.db2.gz VBVHOGYVYVPWOU-USQNJUIBSA-N 2 2 334.508 3.156 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134737334 1376687678 /nfs/dbraw/zinc/68/76/78/1376687678.db2.gz RCECRRJJLRIOTO-XEVLESSRSA-N 2 2 328.460 3.406 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001134745302 1376693191 /nfs/dbraw/zinc/69/31/91/1376693191.db2.gz USNLKLFPTFVOPO-CVEARBPZSA-N 2 2 349.519 3.332 20 0 EGADLP Fc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235114028 1376846195 /nfs/dbraw/zinc/84/61/95/1376846195.db2.gz IRJUYLDJLANWKD-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235114028 1376846201 /nfs/dbraw/zinc/84/62/01/1376846201.db2.gz IRJUYLDJLANWKD-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001235253823 1376864751 /nfs/dbraw/zinc/86/47/51/1376864751.db2.gz FSMDOXDWXBGMLN-LNLFQRSKSA-N 2 2 326.415 3.326 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001235253823 1376864753 /nfs/dbraw/zinc/86/47/53/1376864753.db2.gz FSMDOXDWXBGMLN-LNLFQRSKSA-N 2 2 326.415 3.326 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCC(C)C)c(C)[nH+]1 ZINC001135044505 1376865479 /nfs/dbraw/zinc/86/54/79/1376865479.db2.gz VJFLUSXGTPYLED-NVXWUHKLSA-N 2 2 349.519 3.166 20 0 EGADLP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097919 1376895296 /nfs/dbraw/zinc/89/52/96/1376895296.db2.gz RRAKHNRAZUUAJD-CVEARBPZSA-N 2 2 328.460 3.159 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138221 1376928444 /nfs/dbraw/zinc/92/84/44/1376928444.db2.gz YLPYRMKOXUHUEH-DLBZAZTESA-N 2 2 332.492 3.037 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001236171526 1376937286 /nfs/dbraw/zinc/93/72/86/1376937286.db2.gz UERKWLVWLOPKTI-CQSZACIVSA-N 2 2 332.245 3.044 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001236171526 1376937288 /nfs/dbraw/zinc/93/72/88/1376937288.db2.gz UERKWLVWLOPKTI-CQSZACIVSA-N 2 2 332.245 3.044 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(Cl)cc1N ZINC001236254099 1376946836 /nfs/dbraw/zinc/94/68/36/1376946836.db2.gz UKRTYKSZULQWFG-UHFFFAOYSA-N 2 2 348.716 3.458 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(Cl)cc1N ZINC001236254099 1376946840 /nfs/dbraw/zinc/94/68/40/1376946840.db2.gz UKRTYKSZULQWFG-UHFFFAOYSA-N 2 2 348.716 3.458 20 0 EGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001254526757 1377107347 /nfs/dbraw/zinc/10/73/47/1377107347.db2.gz ULDLCZXMIPMGMA-MRXNPFEDSA-N 2 2 336.426 3.344 20 0 EGADLP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001254526757 1377107349 /nfs/dbraw/zinc/10/73/49/1377107349.db2.gz ULDLCZXMIPMGMA-MRXNPFEDSA-N 2 2 336.426 3.344 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001136030725 1377304695 /nfs/dbraw/zinc/30/46/95/1377304695.db2.gz BGNTURVJXSAZIY-LSDHHAIUSA-N 2 2 348.535 3.350 20 0 EGADLP Clc1cncc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001136994470 1377453007 /nfs/dbraw/zinc/45/30/07/1377453007.db2.gz WTOKARUWAKCTDF-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1cncc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001136994470 1377453008 /nfs/dbraw/zinc/45/30/08/1377453008.db2.gz WTOKARUWAKCTDF-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1cncc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001136994470 1377453009 /nfs/dbraw/zinc/45/30/09/1377453009.db2.gz WTOKARUWAKCTDF-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1cncc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001136994470 1377453010 /nfs/dbraw/zinc/45/30/10/1377453010.db2.gz WTOKARUWAKCTDF-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP COc1ncc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001137001686 1377454129 /nfs/dbraw/zinc/45/41/29/1377454129.db2.gz VBONPFAFUTYNIX-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP COc1ncc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001137001686 1377454132 /nfs/dbraw/zinc/45/41/32/1377454132.db2.gz VBONPFAFUTYNIX-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP COc1ncc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001137001686 1377454136 /nfs/dbraw/zinc/45/41/36/1377454136.db2.gz VBONPFAFUTYNIX-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP COc1ncc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001137001686 1377454141 /nfs/dbraw/zinc/45/41/41/1377454141.db2.gz VBONPFAFUTYNIX-CALCHBBNSA-N 2 2 343.496 3.024 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(F)c1OC ZINC001137510696 1377559219 /nfs/dbraw/zinc/55/92/19/1377559219.db2.gz HTBQEBRAODCRNG-HNNXBMFYSA-N 2 2 346.402 3.200 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(F)c1OC ZINC001137510696 1377559220 /nfs/dbraw/zinc/55/92/20/1377559220.db2.gz HTBQEBRAODCRNG-HNNXBMFYSA-N 2 2 346.402 3.200 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001138097226 1377676392 /nfs/dbraw/zinc/67/63/92/1377676392.db2.gz MSWNTZYXJUCRIP-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP CCCn1ncc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138634798 1377758526 /nfs/dbraw/zinc/75/85/26/1377758526.db2.gz HXONWVQOCWATQX-HDICACEKSA-N 2 2 344.528 3.227 20 0 EGADLP CCCn1ncc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138634798 1377758527 /nfs/dbraw/zinc/75/85/27/1377758527.db2.gz HXONWVQOCWATQX-HDICACEKSA-N 2 2 344.528 3.227 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138634798 1377758528 /nfs/dbraw/zinc/75/85/28/1377758528.db2.gz HXONWVQOCWATQX-HDICACEKSA-N 2 2 344.528 3.227 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1C ZINC001138634798 1377758529 /nfs/dbraw/zinc/75/85/29/1377758529.db2.gz HXONWVQOCWATQX-HDICACEKSA-N 2 2 344.528 3.227 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccnn2[C@@H]2CCCCO2)C2CCCC2)CC1 ZINC001138785097 1377785267 /nfs/dbraw/zinc/78/52/67/1377785267.db2.gz ODKVQCSEQOSJRV-FQEVSTJZSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccnn2[C@@H]2CCCCO2)C2CCCC2)CC1 ZINC001138785097 1377785268 /nfs/dbraw/zinc/78/52/68/1377785268.db2.gz ODKVQCSEQOSJRV-FQEVSTJZSA-N 2 2 346.519 3.421 20 0 EGADLP CCCn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cn1 ZINC001139038582 1377820688 /nfs/dbraw/zinc/82/06/88/1377820688.db2.gz FUJKLULXWHAOKW-NHCUHLMSSA-N 2 2 338.499 3.165 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001139158944 1377841630 /nfs/dbraw/zinc/84/16/30/1377841630.db2.gz HHOKIFQRCMVTCL-RTBURBONSA-N 2 2 346.478 3.137 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001139356796 1377873458 /nfs/dbraw/zinc/87/34/58/1377873458.db2.gz TWWPZSADVSHKKB-CJNGLKHVSA-N 2 2 339.361 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@]1(O)C(F)(F)F ZINC001139356796 1377873467 /nfs/dbraw/zinc/87/34/67/1377873467.db2.gz TWWPZSADVSHKKB-CJNGLKHVSA-N 2 2 339.361 3.008 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)cc[nH+]1 ZINC001139558051 1377906624 /nfs/dbraw/zinc/90/66/24/1377906624.db2.gz YJLJFAPNIABDSR-UHFFFAOYSA-N 2 2 333.439 3.102 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763438 1377947240 /nfs/dbraw/zinc/94/72/40/1377947240.db2.gz MXBWCLTZEISPKE-TZIWHRDSSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763438 1377947242 /nfs/dbraw/zinc/94/72/42/1377947242.db2.gz MXBWCLTZEISPKE-TZIWHRDSSA-N 2 2 344.499 3.162 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC001139763632 1377947586 /nfs/dbraw/zinc/94/75/86/1377947586.db2.gz QNJXBODURPKRLB-QZTJIDSGSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC001139763632 1377947589 /nfs/dbraw/zinc/94/75/89/1377947589.db2.gz QNJXBODURPKRLB-QZTJIDSGSA-N 2 2 332.488 3.018 20 0 EGADLP CC[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139765040 1377948271 /nfs/dbraw/zinc/94/82/71/1377948271.db2.gz RSWBHHVXONLWBI-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP CC[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139765040 1377948272 /nfs/dbraw/zinc/94/82/72/1377948272.db2.gz RSWBHHVXONLWBI-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC001139841336 1377961202 /nfs/dbraw/zinc/96/12/02/1377961202.db2.gz MZLSTENHVFUNIF-UHFFFAOYSA-N 2 2 332.536 3.020 20 0 EGADLP C[N@H+](Cc1c[nH]c2cccc(Br)c12)C1CC[NH+](C)CC1 ZINC001139963987 1377984473 /nfs/dbraw/zinc/98/44/73/1377984473.db2.gz FQRTZORUNBSACL-UHFFFAOYSA-N 2 2 336.277 3.456 20 0 EGADLP C[N@@H+](Cc1c[nH]c2cccc(Br)c12)C1CC[NH+](C)CC1 ZINC001139963987 1377984476 /nfs/dbraw/zinc/98/44/76/1377984476.db2.gz FQRTZORUNBSACL-UHFFFAOYSA-N 2 2 336.277 3.456 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413936 1378059070 /nfs/dbraw/zinc/05/90/70/1378059070.db2.gz MLYGLFMMXGKYJJ-WMZOPIPTSA-N 2 2 342.874 3.323 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413936 1378059072 /nfs/dbraw/zinc/05/90/72/1378059072.db2.gz MLYGLFMMXGKYJJ-WMZOPIPTSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413936 1378059074 /nfs/dbraw/zinc/05/90/74/1378059074.db2.gz MLYGLFMMXGKYJJ-WMZOPIPTSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413936 1378059076 /nfs/dbraw/zinc/05/90/76/1378059076.db2.gz MLYGLFMMXGKYJJ-WMZOPIPTSA-N 2 2 342.874 3.323 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413933 1378059117 /nfs/dbraw/zinc/05/91/17/1378059117.db2.gz MLYGLFMMXGKYJJ-AEFFLSMTSA-N 2 2 342.874 3.323 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413933 1378059119 /nfs/dbraw/zinc/05/91/19/1378059119.db2.gz MLYGLFMMXGKYJJ-AEFFLSMTSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413933 1378059121 /nfs/dbraw/zinc/05/91/21/1378059121.db2.gz MLYGLFMMXGKYJJ-AEFFLSMTSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@@H]21 ZINC001140413933 1378059123 /nfs/dbraw/zinc/05/91/23/1378059123.db2.gz MLYGLFMMXGKYJJ-AEFFLSMTSA-N 2 2 342.874 3.323 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140591407 1378092624 /nfs/dbraw/zinc/09/26/24/1378092624.db2.gz WWRWAEPLDHVCJF-ROUUACIJSA-N 2 2 325.431 3.093 20 0 EGADLP CC(C)NC(=O)c1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001140616718 1378098742 /nfs/dbraw/zinc/09/87/42/1378098742.db2.gz MSPKFXRSPUEYNJ-UHFFFAOYSA-N 2 2 331.504 3.129 20 0 EGADLP CC(C)NC(=O)c1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001140616718 1378098743 /nfs/dbraw/zinc/09/87/43/1378098743.db2.gz MSPKFXRSPUEYNJ-UHFFFAOYSA-N 2 2 331.504 3.129 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC001140676596 1378111692 /nfs/dbraw/zinc/11/16/92/1378111692.db2.gz BHHOSBKBKRLRCI-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC001140676596 1378111693 /nfs/dbraw/zinc/11/16/93/1378111693.db2.gz BHHOSBKBKRLRCI-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140777791 1378134131 /nfs/dbraw/zinc/13/41/31/1378134131.db2.gz FWOJZHFRERAQIY-ROUUACIJSA-N 2 2 325.431 3.093 20 0 EGADLP C[C@@](O)(C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1)C(F)(F)F ZINC001140804974 1378143152 /nfs/dbraw/zinc/14/31/52/1378143152.db2.gz MIJYDVWCHKBSIH-OAHLLOKOSA-N 2 2 327.350 3.088 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806033 1378143724 /nfs/dbraw/zinc/14/37/24/1378143724.db2.gz UUBNHJIIOLQIPA-SFHVURJKSA-N 2 2 348.422 3.002 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806033 1378143733 /nfs/dbraw/zinc/14/37/33/1378143733.db2.gz UUBNHJIIOLQIPA-SFHVURJKSA-N 2 2 348.422 3.002 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001140805992 1378143799 /nfs/dbraw/zinc/14/37/99/1378143799.db2.gz SVXFFYXQHDXJDW-UHFFFAOYSA-N 2 2 332.451 3.370 20 0 EGADLP Cc1csc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776834 1378187799 /nfs/dbraw/zinc/18/77/99/1378187799.db2.gz CWOYTZMMBCBGDY-GOSISDBHSA-N 2 2 330.501 3.268 20 0 EGADLP Cc1csc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776834 1378187801 /nfs/dbraw/zinc/18/78/01/1378187801.db2.gz CWOYTZMMBCBGDY-GOSISDBHSA-N 2 2 330.501 3.268 20 0 EGADLP Cc1csc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776834 1378187803 /nfs/dbraw/zinc/18/78/03/1378187803.db2.gz CWOYTZMMBCBGDY-GOSISDBHSA-N 2 2 330.501 3.268 20 0 EGADLP Cc1csc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776834 1378187805 /nfs/dbraw/zinc/18/78/05/1378187805.db2.gz CWOYTZMMBCBGDY-GOSISDBHSA-N 2 2 330.501 3.268 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc3c(c2)OCCO3)C2CCCC2)CC1 ZINC001141042265 1378217119 /nfs/dbraw/zinc/21/71/19/1378217119.db2.gz JQLJUYJKCBDGDO-UHFFFAOYSA-N 2 2 330.472 3.297 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc3c(c2)OCCO3)C2CCCC2)CC1 ZINC001141042265 1378217121 /nfs/dbraw/zinc/21/71/21/1378217121.db2.gz JQLJUYJKCBDGDO-UHFFFAOYSA-N 2 2 330.472 3.297 20 0 EGADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@@H]3COC)CC2)c[nH+]1 ZINC001141070977 1378229410 /nfs/dbraw/zinc/22/94/10/1378229410.db2.gz WJTPGRMYDJMCKC-INIZCTEOSA-N 2 2 335.492 3.017 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@@H]2C1 ZINC001141210371 1378269483 /nfs/dbraw/zinc/26/94/83/1378269483.db2.gz MEKZBCMHCDIUBK-IRXDYDNUSA-N 2 2 325.431 3.271 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401161 1378318460 /nfs/dbraw/zinc/31/84/60/1378318460.db2.gz KDRBXDNKEJHPAT-QGZVFWFLSA-N 2 2 344.386 3.049 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401161 1378318466 /nfs/dbraw/zinc/31/84/66/1378318466.db2.gz KDRBXDNKEJHPAT-QGZVFWFLSA-N 2 2 344.386 3.049 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)nc3C)C[C@H]2C1 ZINC001141438397 1378325963 /nfs/dbraw/zinc/32/59/63/1378325963.db2.gz QDIOIVAAEOPEGU-HUUCEWRRSA-N 2 2 327.394 3.182 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498695 1378335212 /nfs/dbraw/zinc/33/52/12/1378335212.db2.gz BRMLVJMKNIJWRQ-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498695 1378335213 /nfs/dbraw/zinc/33/52/13/1378335213.db2.gz BRMLVJMKNIJWRQ-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498695 1378335215 /nfs/dbraw/zinc/33/52/15/1378335215.db2.gz BRMLVJMKNIJWRQ-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)nn1 ZINC001141498695 1378335217 /nfs/dbraw/zinc/33/52/17/1378335217.db2.gz BRMLVJMKNIJWRQ-LSDHHAIUSA-N 2 2 342.409 3.334 20 0 EGADLP CC(=O)OCc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001141795671 1378379051 /nfs/dbraw/zinc/37/90/51/1378379051.db2.gz MKTVRWWCQYEXOU-UHFFFAOYSA-N 2 2 334.460 3.182 20 0 EGADLP CC(=O)OCc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)o1 ZINC001141795671 1378379054 /nfs/dbraw/zinc/37/90/54/1378379054.db2.gz MKTVRWWCQYEXOU-UHFFFAOYSA-N 2 2 334.460 3.182 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(SC)s2)CC1 ZINC001142027592 1378406525 /nfs/dbraw/zinc/40/65/25/1378406525.db2.gz BGEYFXMXBYMHKA-UHFFFAOYSA-N 2 2 341.590 3.320 20 0 EGADLP c1sc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2c1OCCO2 ZINC001143187591 1378555604 /nfs/dbraw/zinc/55/56/04/1378555604.db2.gz XHXVHIVEILGGBZ-OAHLLOKOSA-N 2 2 336.501 3.360 20 0 EGADLP c1sc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2c1OCCO2 ZINC001143187591 1378555610 /nfs/dbraw/zinc/55/56/10/1378555610.db2.gz XHXVHIVEILGGBZ-OAHLLOKOSA-N 2 2 336.501 3.360 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001144337533 1378717482 /nfs/dbraw/zinc/71/74/82/1378717482.db2.gz GHQSXOUTFQEVEC-UHFFFAOYSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001144337533 1378717484 /nfs/dbraw/zinc/71/74/84/1378717484.db2.gz GHQSXOUTFQEVEC-UHFFFAOYSA-N 2 2 333.476 3.030 20 0 EGADLP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706476 1378902872 /nfs/dbraw/zinc/90/28/72/1378902872.db2.gz FLRNOVBTKWBACL-XXCOWLKOSA-N 2 2 334.508 3.283 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891075 1380149996 /nfs/dbraw/zinc/14/99/96/1380149996.db2.gz JWDSMUMQHYOVMX-BZUAXINKSA-N 2 2 334.508 3.166 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891075 1380149998 /nfs/dbraw/zinc/14/99/98/1380149998.db2.gz JWDSMUMQHYOVMX-BZUAXINKSA-N 2 2 334.508 3.166 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891075 1380149999 /nfs/dbraw/zinc/14/99/99/1380149999.db2.gz JWDSMUMQHYOVMX-BZUAXINKSA-N 2 2 334.508 3.166 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891075 1380150001 /nfs/dbraw/zinc/15/00/01/1380150001.db2.gz JWDSMUMQHYOVMX-BZUAXINKSA-N 2 2 334.508 3.166 20 0 EGADLP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015367 1380179386 /nfs/dbraw/zinc/17/93/86/1380179386.db2.gz FUKBJGKOYROGMO-SHARSMKWSA-N 2 2 328.460 3.049 20 0 EGADLP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015367 1380179388 /nfs/dbraw/zinc/17/93/88/1380179388.db2.gz FUKBJGKOYROGMO-SHARSMKWSA-N 2 2 328.460 3.049 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093192 1380205407 /nfs/dbraw/zinc/20/54/07/1380205407.db2.gz UWJUTMAYTCFJTG-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093192 1380205412 /nfs/dbraw/zinc/20/54/12/1380205412.db2.gz UWJUTMAYTCFJTG-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422573 1380274888 /nfs/dbraw/zinc/27/48/88/1380274888.db2.gz UOHUINPNLWAWNM-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422573 1380274890 /nfs/dbraw/zinc/27/48/90/1380274890.db2.gz UOHUINPNLWAWNM-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1ccc2nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c(Cl)nc2c1 ZINC001155058014 1380399842 /nfs/dbraw/zinc/39/98/42/1380399842.db2.gz QVTDVSBVDDFKSX-UHFFFAOYSA-N 2 2 327.819 3.244 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155063833 1380401716 /nfs/dbraw/zinc/40/17/16/1380401716.db2.gz FSCSXBNYHKGGCA-UHFFFAOYSA-N 2 2 343.431 3.081 20 0 EGADLP CC(C)c1ccc2ncnc(NCC3([NH+](C)C)CC[NH+](C)CC3)c2c1 ZINC001156184912 1380538342 /nfs/dbraw/zinc/53/83/42/1380538342.db2.gz JARJXJMFYVXNQY-UHFFFAOYSA-N 2 2 341.503 3.191 20 0 EGADLP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383943 1380568947 /nfs/dbraw/zinc/56/89/47/1380568947.db2.gz VDBOZJHMEOIWAD-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383943 1380568949 /nfs/dbraw/zinc/56/89/49/1380568949.db2.gz VDBOZJHMEOIWAD-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677544 1380609412 /nfs/dbraw/zinc/60/94/12/1380609412.db2.gz YLDAXYQRPXWXSW-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677544 1380609413 /nfs/dbraw/zinc/60/94/13/1380609413.db2.gz YLDAXYQRPXWXSW-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CCC3=CCCCC3)ccn12 ZINC001158061796 1381116730 /nfs/dbraw/zinc/11/67/30/1381116730.db2.gz HPRPYFURBUXBQJ-UHFFFAOYSA-N 2 2 340.471 3.243 20 0 EGADLP COc1cc(N2CCN(c3[nH+]ccc4cccc(C)c43)CC2)cc[nH+]1 ZINC001158099192 1381127430 /nfs/dbraw/zinc/12/74/30/1381127430.db2.gz WRVJTHVYVZOQCZ-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP CCc1nc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc(C)[nH+]1 ZINC001158166628 1381146888 /nfs/dbraw/zinc/14/68/88/1381146888.db2.gz GMFFGYWWABEDCI-QAQDUYKDSA-N 2 2 325.460 3.019 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217701 1381162803 /nfs/dbraw/zinc/16/28/03/1381162803.db2.gz YNEYKHSYAUYOMT-QGZVFWFLSA-N 2 2 340.471 3.227 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217701 1381162809 /nfs/dbraw/zinc/16/28/09/1381162809.db2.gz YNEYKHSYAUYOMT-QGZVFWFLSA-N 2 2 340.471 3.227 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3c(Cl)cc(Cl)nc3Cl)CC2)C1 ZINC001158258937 1381175962 /nfs/dbraw/zinc/17/59/62/1381175962.db2.gz MLTWZCHBFFQMHM-SECBINFHSA-N 2 2 349.693 3.044 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3c(Cl)cc(Cl)nc3Cl)CC2)C1 ZINC001158258937 1381175970 /nfs/dbraw/zinc/17/59/70/1381175970.db2.gz MLTWZCHBFFQMHM-SECBINFHSA-N 2 2 349.693 3.044 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277019 1381182506 /nfs/dbraw/zinc/18/25/06/1381182506.db2.gz KWFQTWVQFNTVIB-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158277019 1381182510 /nfs/dbraw/zinc/18/25/10/1381182510.db2.gz KWFQTWVQFNTVIB-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP Cc1nc(N2CCO[C@H](C[NH+]3CCCC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001158305249 1381193891 /nfs/dbraw/zinc/19/38/91/1381193891.db2.gz GKTVTQKDBODJAV-GOSISDBHSA-N 2 2 344.503 3.134 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949240 1381479725 /nfs/dbraw/zinc/47/97/25/1381479725.db2.gz HLGUUBRSLYEVBX-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949240 1381479730 /nfs/dbraw/zinc/47/97/30/1381479730.db2.gz HLGUUBRSLYEVBX-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP Cc1csc([C@@H](C)C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)n1 ZINC001328330241 1388724104 /nfs/dbraw/zinc/72/41/04/1388724104.db2.gz SMLMPZVLRGVAOW-NSHDSACASA-N 2 2 327.413 3.083 20 0 EGADLP CC(C)[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1 ZINC001159062596 1381552199 /nfs/dbraw/zinc/55/21/99/1381552199.db2.gz MZFMOPFZNWPYLF-LJQANCHMSA-N 2 2 328.435 3.440 20 0 EGADLP CN(C)c1ccc(N(c2[nH+]cccc2N)C2CC[NH2+]CC2)cc1Cl ZINC001159289029 1381752547 /nfs/dbraw/zinc/75/25/47/1381752547.db2.gz NPOJZUKMKBFXPT-UHFFFAOYSA-N 2 2 345.878 3.273 20 0 EGADLP COc1ccc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)c(C)c1C ZINC001159336102 1381768802 /nfs/dbraw/zinc/76/88/02/1381768802.db2.gz KUHAOPRGEJJKGU-UHFFFAOYSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001159527576 1381817267 /nfs/dbraw/zinc/81/72/67/1381817267.db2.gz BTHOLPQBROXCCZ-UHFFFAOYSA-N 2 2 336.439 3.056 20 0 EGADLP CCN(CC)c1cc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)nc[nH+]1 ZINC001159950525 1381946640 /nfs/dbraw/zinc/94/66/40/1381946640.db2.gz XOLOMKRVJDFPPV-AWEZNQCLSA-N 2 2 335.455 3.083 20 0 EGADLP Cc1cc(Cl)c(C)c(NCc2ccccc2N2CC[NH2+]CC2)[nH+]1 ZINC001160109970 1381999746 /nfs/dbraw/zinc/99/97/46/1381999746.db2.gz RIPAWYQGBBPECI-UHFFFAOYSA-N 2 2 330.863 3.374 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821592 1382209205 /nfs/dbraw/zinc/20/92/05/1382209205.db2.gz LRLGXWDTWDNMSB-SFHVURJKSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821592 1382209209 /nfs/dbraw/zinc/20/92/09/1382209209.db2.gz LRLGXWDTWDNMSB-SFHVURJKSA-N 2 2 346.519 3.094 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)c1 ZINC001160992071 1382265823 /nfs/dbraw/zinc/26/58/23/1382265823.db2.gz PZBRKMYXIWQFMX-UHFFFAOYSA-N 2 2 336.439 3.089 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](Cc4ccncc4)CC3)c2c1C ZINC001161104377 1382297802 /nfs/dbraw/zinc/29/78/02/1382297802.db2.gz PRMSTNBMOSEKIC-UHFFFAOYSA-N 2 2 336.443 3.046 20 0 EGADLP CC(C)(C)C(=O)C[NH+]1CCC(Nc2ccc3c([nH+]2)CCCC3)CC1 ZINC001161120350 1382306392 /nfs/dbraw/zinc/30/63/92/1382306392.db2.gz USUWOEUMXVILRN-UHFFFAOYSA-N 2 2 329.488 3.452 20 0 EGADLP CCc1nc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)cc(C)[nH+]1 ZINC001161136080 1382314507 /nfs/dbraw/zinc/31/45/07/1382314507.db2.gz CAOHDBFMLQVTIO-UHFFFAOYSA-N 2 2 326.444 3.130 20 0 EGADLP COc1ccc(F)cc1C[NH+]1CCC(Nc2[nH+]cc(C)cc2N)CC1 ZINC001161153369 1382318508 /nfs/dbraw/zinc/31/85/08/1382318508.db2.gz QFKXJRLSSKYUFV-UHFFFAOYSA-N 2 2 344.434 3.196 20 0 EGADLP C[NH+]1CCN(c2cccc(NC[C@H]3CCCc4ccccc43)[nH+]2)CC1 ZINC001162554613 1382788195 /nfs/dbraw/zinc/78/81/95/1382788195.db2.gz HERLXSVZYBLGNH-GOSISDBHSA-N 2 2 336.483 3.365 20 0 EGADLP c1cc(Cc2ccncc2)[nH+]c(NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001162807417 1382879650 /nfs/dbraw/zinc/87/96/50/1382879650.db2.gz HCBPVBYDBYFKRM-UHFFFAOYSA-N 2 2 330.435 3.325 20 0 EGADLP Fc1ccc(COc2ccc[nH+]c2NC[C@@H]2CC[NH2+]C[C@@H]2F)cc1 ZINC001162809186 1382879886 /nfs/dbraw/zinc/87/98/86/1382879886.db2.gz YVQMMKKRLAVICF-HOCLYGCPSA-N 2 2 333.382 3.159 20 0 EGADLP Cc1ccc(CC[NH2+]CCCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001162910753 1382913043 /nfs/dbraw/zinc/91/30/43/1382913043.db2.gz WBVCHEHRMAYQFH-UHFFFAOYSA-N 2 2 339.483 3.267 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCCCC(F)(F)F)c(C)[nH+]1 ZINC001162910505 1382913234 /nfs/dbraw/zinc/91/32/34/1382913234.db2.gz NZUPXVJHWHEBEL-UHFFFAOYSA-N 2 2 345.409 3.449 20 0 EGADLP COc1ccc2cc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)[nH+]cc2c1 ZINC001163055806 1382956147 /nfs/dbraw/zinc/95/61/47/1382956147.db2.gz GDOLZDNILRSZFG-OAHLLOKOSA-N 2 2 336.439 3.267 20 0 EGADLP COc1cc2ccc(N3CCC[C@@](C)(C[NH3+])CC3)[nH+]c2cc1OC ZINC001164246994 1383171036 /nfs/dbraw/zinc/17/10/36/1383171036.db2.gz GEJKHJOJIWIZEX-LJQANCHMSA-N 2 2 329.444 3.207 20 0 EGADLP CCc1cc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001165305966 1383270450 /nfs/dbraw/zinc/27/04/50/1383270450.db2.gz PQTKURXPOJBNEG-ZDUSSCGKSA-N 2 2 328.382 3.001 20 0 EGADLP CCC(CC)C[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348853 1383606569 /nfs/dbraw/zinc/60/65/69/1383606569.db2.gz WURQMYOGFUYCHN-INIZCTEOSA-N 2 2 334.508 3.147 20 0 EGADLP CCOCc1cnc2n1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]2C ZINC001167826001 1383750514 /nfs/dbraw/zinc/75/05/14/1383750514.db2.gz VJIAOVGBFBXGJR-DLBZAZTESA-N 2 2 336.524 3.307 20 0 EGADLP CCOCc1cnc2n1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]2C ZINC001167826001 1383750516 /nfs/dbraw/zinc/75/05/16/1383750516.db2.gz VJIAOVGBFBXGJR-DLBZAZTESA-N 2 2 336.524 3.307 20 0 EGADLP CC(C)Oc1cc(Br)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167915268 1383769206 /nfs/dbraw/zinc/76/92/06/1383769206.db2.gz FZEHNZPNZMQGPK-UHFFFAOYSA-N 2 2 332.267 3.275 20 0 EGADLP c1ccc(C[C@@H]2COCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001168003200 1383793774 /nfs/dbraw/zinc/79/37/74/1383793774.db2.gz JQUGLKXQRYRWGD-IUPYZPJSSA-N 2 2 340.511 3.335 20 0 EGADLP c1ccc(C[C@@H]2COCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001168003200 1383793775 /nfs/dbraw/zinc/79/37/75/1383793775.db2.gz JQUGLKXQRYRWGD-IUPYZPJSSA-N 2 2 340.511 3.335 20 0 EGADLP c1ccc(C[C@@H]2COCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001168003200 1383793779 /nfs/dbraw/zinc/79/37/79/1383793779.db2.gz JQUGLKXQRYRWGD-IUPYZPJSSA-N 2 2 340.511 3.335 20 0 EGADLP c1ccc(C[C@@H]2COCC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001168003200 1383793781 /nfs/dbraw/zinc/79/37/81/1383793781.db2.gz JQUGLKXQRYRWGD-IUPYZPJSSA-N 2 2 340.511 3.335 20 0 EGADLP C(C1CC1)[NH+]1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001168366533 1383884560 /nfs/dbraw/zinc/88/45/60/1383884560.db2.gz VGGGHLPQJAXNPF-UHFFFAOYSA-N 3 2 333.564 3.495 20 0 EGADLP COc1ccc([C@@H]2C[C@H](n3cc[nH+]c3[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC001168664899 1383963617 /nfs/dbraw/zinc/96/36/17/1383963617.db2.gz KOWGSZLSXVEOQE-SCTDSRPQSA-N 2 2 341.455 3.452 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCOc3ccc(Oc4ccccc4)cc3)C[C@H]21 ZINC001307975032 1384067371 /nfs/dbraw/zinc/06/73/71/1384067371.db2.gz HLTVLRJEZYHAJM-AERCQKQUSA-N 2 2 338.451 3.350 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCOc3ccc(Oc4ccccc4)cc3)C[C@H]21 ZINC001307975032 1384067377 /nfs/dbraw/zinc/06/73/77/1384067377.db2.gz HLTVLRJEZYHAJM-AERCQKQUSA-N 2 2 338.451 3.350 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101288 1384107213 /nfs/dbraw/zinc/10/72/13/1384107213.db2.gz QQKCJBYLFMADDJ-JONQDZQNSA-N 2 2 329.271 3.242 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101288 1384107216 /nfs/dbraw/zinc/10/72/16/1384107216.db2.gz QQKCJBYLFMADDJ-JONQDZQNSA-N 2 2 329.271 3.242 20 0 EGADLP Cc1[nH+]cn(-c2ccc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)nn2)c1C ZINC001169140354 1384112453 /nfs/dbraw/zinc/11/24/53/1384112453.db2.gz FVAQIKTXOUZRJT-HNAYVOBHSA-N 2 2 342.491 3.235 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(Cc3cccc(Cl)c3)CC1)C2 ZINC001169141669 1384112908 /nfs/dbraw/zinc/11/29/08/1384112908.db2.gz RRQNBGKARKOQNE-BWTSREIZSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(Cc3cccc(Cl)c3)CC1)C2 ZINC001169141669 1384112910 /nfs/dbraw/zinc/11/29/10/1384112910.db2.gz RRQNBGKARKOQNE-BWTSREIZSA-N 2 2 333.907 3.083 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143026 1384113483 /nfs/dbraw/zinc/11/34/83/1384113483.db2.gz JAVYXUGVVIIMFJ-WIYYLYMNSA-N 3 2 344.547 3.394 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)CCCO)CC2)c2ccsc2S1 ZINC001308625246 1384137385 /nfs/dbraw/zinc/13/73/85/1384137385.db2.gz XNUQTRFSUAILDU-XJKSGUPXSA-N 2 2 340.558 3.452 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)c2ccsc2S1 ZINC001308625246 1384137387 /nfs/dbraw/zinc/13/73/87/1384137387.db2.gz XNUQTRFSUAILDU-XJKSGUPXSA-N 2 2 340.558 3.452 20 0 EGADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001308777750 1384149524 /nfs/dbraw/zinc/14/95/24/1384149524.db2.gz OCLJWGDRTSWKFK-TYPHKJRUSA-N 2 2 330.516 3.354 20 0 EGADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001308777750 1384149526 /nfs/dbraw/zinc/14/95/26/1384149526.db2.gz OCLJWGDRTSWKFK-TYPHKJRUSA-N 2 2 330.516 3.354 20 0 EGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC001308786834 1384149644 /nfs/dbraw/zinc/14/96/44/1384149644.db2.gz HFVCRZBBYGWHKW-INIZCTEOSA-N 2 2 334.533 3.128 20 0 EGADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC001308786834 1384149645 /nfs/dbraw/zinc/14/96/45/1384149645.db2.gz HFVCRZBBYGWHKW-INIZCTEOSA-N 2 2 334.533 3.128 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001170011298 1384218037 /nfs/dbraw/zinc/21/80/37/1384218037.db2.gz NKLOSBXQSQOULS-INIZCTEOSA-N 2 2 333.476 3.254 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001170011298 1384218038 /nfs/dbraw/zinc/21/80/38/1384218038.db2.gz NKLOSBXQSQOULS-INIZCTEOSA-N 2 2 333.476 3.254 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001170164644 1384252889 /nfs/dbraw/zinc/25/28/89/1384252889.db2.gz MGERFMUCADZXTI-NHCUHLMSSA-N 2 2 330.516 3.488 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001170427692 1384316515 /nfs/dbraw/zinc/31/65/15/1384316515.db2.gz XLHGMBRWBKCSFY-IAGOWNOFSA-N 2 2 330.472 3.343 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001170427692 1384316518 /nfs/dbraw/zinc/31/65/18/1384316518.db2.gz XLHGMBRWBKCSFY-IAGOWNOFSA-N 2 2 330.472 3.343 20 0 EGADLP Cc1cc[nH+]c(C)c1N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001170717616 1384372536 /nfs/dbraw/zinc/37/25/36/1384372536.db2.gz CECVBNDNMJRZMA-MXVIHJGJSA-N 2 2 342.531 3.449 20 0 EGADLP Cc1[nH+]cn([C@H]2CCc3ccc(Br)cc3C2)c1CC[NH3+] ZINC001170851969 1384398348 /nfs/dbraw/zinc/39/83/48/1384398348.db2.gz WIGGDKULMKNPMJ-HNNXBMFYSA-N 2 2 334.261 3.185 20 0 EGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170932610 1384414107 /nfs/dbraw/zinc/41/41/07/1384414107.db2.gz FUROVCYRNOGYKG-KRWDZBQOSA-N 2 2 336.907 3.240 20 0 EGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170932610 1384414109 /nfs/dbraw/zinc/41/41/09/1384414109.db2.gz FUROVCYRNOGYKG-KRWDZBQOSA-N 2 2 336.907 3.240 20 0 EGADLP COC(=O)c1ccc(C(=[NH2+])Nc2cc[nH+]cc2-c2ccccc2)cc1 ZINC001170983645 1384424200 /nfs/dbraw/zinc/42/42/00/1384424200.db2.gz DJVQFLDIQOOLSS-UHFFFAOYSA-N 2 2 331.375 3.395 20 0 EGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171127405 1384451165 /nfs/dbraw/zinc/45/11/65/1384451165.db2.gz BUEGFDRAISBONH-IBGZPJMESA-N 2 2 336.907 3.240 20 0 EGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171127405 1384451166 /nfs/dbraw/zinc/45/11/66/1384451166.db2.gz BUEGFDRAISBONH-IBGZPJMESA-N 2 2 336.907 3.240 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151337 1384455503 /nfs/dbraw/zinc/45/55/03/1384455503.db2.gz HQTDVPOAVOCDMR-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151337 1384455508 /nfs/dbraw/zinc/45/55/08/1384455508.db2.gz HQTDVPOAVOCDMR-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@H]3CCC[NH+](C)[C@H]3C1)CC2 ZINC001171325882 1384495010 /nfs/dbraw/zinc/49/50/10/1384495010.db2.gz GCAGLRVKHJUQTJ-LBTNJELSSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3CCC[NH+](C)[C@H]3C1)CC2 ZINC001171325882 1384495012 /nfs/dbraw/zinc/49/50/12/1384495012.db2.gz GCAGLRVKHJUQTJ-LBTNJELSSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3CCC[N@H+](C)[C@H]3C1)CC2 ZINC001171325882 1384495014 /nfs/dbraw/zinc/49/50/14/1384495014.db2.gz GCAGLRVKHJUQTJ-LBTNJELSSA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@H]3CCC[N@@H+](C)[C@H]3C1)CC2 ZINC001171325882 1384495016 /nfs/dbraw/zinc/49/50/16/1384495016.db2.gz GCAGLRVKHJUQTJ-LBTNJELSSA-N 2 2 334.891 3.232 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001171410666 1384516000 /nfs/dbraw/zinc/51/60/00/1384516000.db2.gz XHXRQDFWJMNGCM-FUHWJXTLSA-N 2 2 334.508 3.145 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577746 1384569899 /nfs/dbraw/zinc/56/98/99/1384569899.db2.gz WFSGCNFYHDFERL-QZTJIDSGSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171603849 1384576181 /nfs/dbraw/zinc/57/61/81/1384576181.db2.gz CSRUUAVXAUNCGR-IAGOWNOFSA-N 2 2 348.535 3.146 20 0 EGADLP CSc1ncc2c(n1)C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171643977 1384590424 /nfs/dbraw/zinc/59/04/24/1384590424.db2.gz ZBHZFSNVOWMHFW-UHFFFAOYSA-N 2 2 334.533 3.208 20 0 EGADLP CSc1ncc2c(n1)C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171643977 1384590425 /nfs/dbraw/zinc/59/04/25/1384590425.db2.gz ZBHZFSNVOWMHFW-UHFFFAOYSA-N 2 2 334.533 3.208 20 0 EGADLP Oc1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171784280 1384635505 /nfs/dbraw/zinc/63/55/05/1384635505.db2.gz CXEVTFXZLNZVQU-GOSISDBHSA-N 2 2 340.442 3.253 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171785043 1384635942 /nfs/dbraw/zinc/63/59/42/1384635942.db2.gz ZXTXYHZVBPRHDQ-JKSUJKDBSA-N 2 2 330.476 3.259 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171880030 1384669938 /nfs/dbraw/zinc/66/99/38/1384669938.db2.gz KOSNPZXKMLXXMK-UXHICEINSA-N 2 2 343.515 3.001 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171880030 1384669941 /nfs/dbraw/zinc/66/99/41/1384669941.db2.gz KOSNPZXKMLXXMK-UXHICEINSA-N 2 2 343.515 3.001 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nn1 ZINC001171982726 1384704524 /nfs/dbraw/zinc/70/45/24/1384704524.db2.gz KHFQRWMQGWCVND-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nn1 ZINC001171982726 1384704528 /nfs/dbraw/zinc/70/45/28/1384704528.db2.gz KHFQRWMQGWCVND-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172234614 1384753767 /nfs/dbraw/zinc/75/37/67/1384753767.db2.gz HKDSULKOAPEJMI-IHWFROFDSA-N 2 2 330.447 3.174 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330831 1384772139 /nfs/dbraw/zinc/77/21/39/1384772139.db2.gz OFABGYKGBSKBFC-MMKMLUHNSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330831 1384772140 /nfs/dbraw/zinc/77/21/40/1384772140.db2.gz OFABGYKGBSKBFC-MMKMLUHNSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330831 1384772141 /nfs/dbraw/zinc/77/21/41/1384772141.db2.gz OFABGYKGBSKBFC-MMKMLUHNSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330831 1384772142 /nfs/dbraw/zinc/77/21/42/1384772142.db2.gz OFABGYKGBSKBFC-MMKMLUHNSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339140 1384773447 /nfs/dbraw/zinc/77/34/47/1384773447.db2.gz PCSJDKATMQHAOR-SJORKVTESA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001172339140 1384773449 /nfs/dbraw/zinc/77/34/49/1384773449.db2.gz PCSJDKATMQHAOR-SJORKVTESA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001172339140 1384773450 /nfs/dbraw/zinc/77/34/50/1384773450.db2.gz PCSJDKATMQHAOR-SJORKVTESA-N 2 2 336.524 3.133 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001172339140 1384773451 /nfs/dbraw/zinc/77/34/51/1384773451.db2.gz PCSJDKATMQHAOR-SJORKVTESA-N 2 2 336.524 3.133 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172752159 1384844353 /nfs/dbraw/zinc/84/43/53/1384844353.db2.gz MWMDJBKKNNHLSH-HKUYNNGSSA-N 2 2 332.488 3.361 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172752159 1384844354 /nfs/dbraw/zinc/84/43/54/1384844354.db2.gz MWMDJBKKNNHLSH-HKUYNNGSSA-N 2 2 332.488 3.361 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001172758352 1384844792 /nfs/dbraw/zinc/84/47/92/1384844792.db2.gz GNAAZJNCZCIDRS-HNNXBMFYSA-N 2 2 328.472 3.005 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001172783690 1384851804 /nfs/dbraw/zinc/85/18/04/1384851804.db2.gz KZRQUHSQKWLDAD-DOTOQJQBSA-N 2 2 327.428 3.303 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172810917 1384857639 /nfs/dbraw/zinc/85/76/39/1384857639.db2.gz UGQZRUUTFPAJKK-OOKSDGMUSA-N 2 2 349.519 3.013 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172810917 1384857644 /nfs/dbraw/zinc/85/76/44/1384857644.db2.gz UGQZRUUTFPAJKK-OOKSDGMUSA-N 2 2 349.519 3.013 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172964000 1384891377 /nfs/dbraw/zinc/89/13/77/1384891377.db2.gz MJYYLBOVFAJGCJ-AWEZNQCLSA-N 2 2 332.448 3.069 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172974157 1384893321 /nfs/dbraw/zinc/89/33/21/1384893321.db2.gz HKKXCEXNMNQPGE-CABCVRRESA-N 2 2 336.480 3.168 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054262 1384902477 /nfs/dbraw/zinc/90/24/77/1384902477.db2.gz MRIZYWWYGPCZEL-HZPDHXFCSA-N 2 2 327.513 3.096 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054262 1384902480 /nfs/dbraw/zinc/90/24/80/1384902480.db2.gz MRIZYWWYGPCZEL-HZPDHXFCSA-N 2 2 327.513 3.096 20 0 EGADLP CCCOC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001173098076 1384914054 /nfs/dbraw/zinc/91/40/54/1384914054.db2.gz VTYWIYYYEATPJL-WHSGIHJSSA-N 2 2 343.515 3.183 20 0 EGADLP CCCOC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001173098076 1384914056 /nfs/dbraw/zinc/91/40/56/1384914056.db2.gz VTYWIYYYEATPJL-WHSGIHJSSA-N 2 2 343.515 3.183 20 0 EGADLP CCCOC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001173098076 1384914060 /nfs/dbraw/zinc/91/40/60/1384914060.db2.gz VTYWIYYYEATPJL-WHSGIHJSSA-N 2 2 343.515 3.183 20 0 EGADLP CCCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001173098076 1384914062 /nfs/dbraw/zinc/91/40/62/1384914062.db2.gz VTYWIYYYEATPJL-WHSGIHJSSA-N 2 2 343.515 3.183 20 0 EGADLP COC(=O)CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001173441927 1384971127 /nfs/dbraw/zinc/97/11/27/1384971127.db2.gz BAUINXHZMVDBHC-HKUYNNGSSA-N 2 2 332.488 3.363 20 0 EGADLP COC(=O)CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001173441927 1384971129 /nfs/dbraw/zinc/97/11/29/1384971129.db2.gz BAUINXHZMVDBHC-HKUYNNGSSA-N 2 2 332.488 3.363 20 0 EGADLP COC(=O)CCCC[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001173445929 1384971947 /nfs/dbraw/zinc/97/19/47/1384971947.db2.gz PZYLBRNVUIXYBN-HNNXBMFYSA-N 2 2 336.451 3.197 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)CC2 ZINC001173607881 1384987289 /nfs/dbraw/zinc/98/72/89/1384987289.db2.gz RMINZVRRNMQIDP-ASPXRTSYSA-N 2 2 336.520 3.208 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)CC2 ZINC001173607881 1384987293 /nfs/dbraw/zinc/98/72/93/1384987293.db2.gz RMINZVRRNMQIDP-ASPXRTSYSA-N 2 2 336.520 3.208 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663221 1384998715 /nfs/dbraw/zinc/99/87/15/1384998715.db2.gz FXTIRJKSHIBPGA-VQIMIIECSA-N 2 2 336.520 3.447 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663221 1384998719 /nfs/dbraw/zinc/99/87/19/1384998719.db2.gz FXTIRJKSHIBPGA-VQIMIIECSA-N 2 2 336.520 3.447 20 0 EGADLP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001173664111 1384998887 /nfs/dbraw/zinc/99/88/87/1384998887.db2.gz PTNLMFRYMRGHDE-KRWDZBQOSA-N 2 2 347.469 3.257 20 0 EGADLP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001173664111 1384998890 /nfs/dbraw/zinc/99/88/90/1384998890.db2.gz PTNLMFRYMRGHDE-KRWDZBQOSA-N 2 2 347.469 3.257 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001317250308 1385021408 /nfs/dbraw/zinc/02/14/08/1385021408.db2.gz BFXOZKWXXKJFDF-DOTOQJQBSA-N 2 2 336.439 3.194 20 0 EGADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317252818 1385023508 /nfs/dbraw/zinc/02/35/08/1385023508.db2.gz IANRYCIRSKMBKI-WWDZGPRUSA-N 2 2 348.535 3.220 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317452131 1385150829 /nfs/dbraw/zinc/15/08/29/1385150829.db2.gz VVWLUQNCYITIIY-CYBMUJFWSA-N 2 2 340.402 3.125 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317452131 1385150831 /nfs/dbraw/zinc/15/08/31/1385150831.db2.gz VVWLUQNCYITIIY-CYBMUJFWSA-N 2 2 340.402 3.125 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358740 1385265025 /nfs/dbraw/zinc/26/50/25/1385265025.db2.gz OBABSWSJGHKEJA-YSEKLJNJSA-N 2 2 346.519 3.145 20 0 EGADLP CCC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCCC1 ZINC001317541417 1385279909 /nfs/dbraw/zinc/27/99/09/1385279909.db2.gz WORHSNWABAPVCU-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCCC1 ZINC001317541417 1385279912 /nfs/dbraw/zinc/27/99/12/1385279912.db2.gz WORHSNWABAPVCU-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001175461717 1385299121 /nfs/dbraw/zinc/29/91/21/1385299121.db2.gz PNKHGDGRZCZOMG-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638203 1385359030 /nfs/dbraw/zinc/35/90/30/1385359030.db2.gz MAXQQBPOSXMXLF-GJZGRUSLSA-N 2 2 348.516 3.115 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638203 1385359037 /nfs/dbraw/zinc/35/90/37/1385359037.db2.gz MAXQQBPOSXMXLF-GJZGRUSLSA-N 2 2 348.516 3.115 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350668 1385560008 /nfs/dbraw/zinc/56/00/08/1385560008.db2.gz JNXTWVGDVFMKDR-MWWKQMNYSA-N 2 2 334.508 3.272 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001318215302 1385629799 /nfs/dbraw/zinc/62/97/99/1385629799.db2.gz DPJBDILXHLVNNY-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001318215302 1385629802 /nfs/dbraw/zinc/62/98/02/1385629802.db2.gz DPJBDILXHLVNNY-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769756 1385690951 /nfs/dbraw/zinc/69/09/51/1385690951.db2.gz UTOZTNAJLVCXRG-HKUYNNGSSA-N 2 2 348.535 3.139 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1OC(F)F ZINC001177334741 1385917585 /nfs/dbraw/zinc/91/75/85/1385917585.db2.gz ZDESZCFXNXXKFD-UHFFFAOYSA-N 2 2 340.414 3.261 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001177355439 1385926614 /nfs/dbraw/zinc/92/66/14/1385926614.db2.gz SJMFHDTWGMGHHC-OAHLLOKOSA-N 2 2 348.878 3.174 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCC2CCCCCC2)CCCC1 ZINC001319378186 1386090931 /nfs/dbraw/zinc/09/09/31/1386090931.db2.gz WZWMQUOGSFVOGO-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP Cc1cccc(C[NH2+]CCCCCCNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001178345837 1386193799 /nfs/dbraw/zinc/19/37/99/1386193799.db2.gz MQUGDFPGHLOLKQ-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnc3c(C)cccn23)[nH+]1 ZINC001319707437 1386261395 /nfs/dbraw/zinc/26/13/95/1386261395.db2.gz ROPKWIYMPXJJDD-KRWDZBQOSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnc3c(C)cccn23)[nH+]1 ZINC001319707437 1386261397 /nfs/dbraw/zinc/26/13/97/1386261397.db2.gz ROPKWIYMPXJJDD-KRWDZBQOSA-N 2 2 335.455 3.423 20 0 EGADLP CC(C)C[C@H](C(=O)NCCCCCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001178774540 1386300180 /nfs/dbraw/zinc/30/01/80/1386300180.db2.gz YGFYOYOPGFUUNG-GOSISDBHSA-N 2 2 334.508 3.147 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178879775 1386337030 /nfs/dbraw/zinc/33/70/30/1386337030.db2.gz FYYNSVQPIRUOKT-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179557583 1386513629 /nfs/dbraw/zinc/51/36/29/1386513629.db2.gz GCKVDMPYGQELLM-INIZCTEOSA-N 2 2 334.508 3.142 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)c(C)c1 ZINC001179689583 1386554334 /nfs/dbraw/zinc/55/43/34/1386554334.db2.gz GHXWNTFLDMVVQT-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689686 1386554590 /nfs/dbraw/zinc/55/45/90/1386554590.db2.gz JKVYDWZQLDHJAJ-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP O=c1[nH]c2cc(F)ccc2cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001179850148 1386606475 /nfs/dbraw/zinc/60/64/75/1386606475.db2.gz RSOYXEHCVJCAJI-ZDUSSCGKSA-N 2 2 326.375 3.182 20 0 EGADLP O=c1[nH]c2cc(F)ccc2cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001179850148 1386606478 /nfs/dbraw/zinc/60/64/78/1386606478.db2.gz RSOYXEHCVJCAJI-ZDUSSCGKSA-N 2 2 326.375 3.182 20 0 EGADLP COc1ccc(C[C@@H]2CC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001180116246 1386701896 /nfs/dbraw/zinc/70/18/96/1386701896.db2.gz HKZBGDGUMJFHPD-HNNXBMFYSA-N 2 2 331.485 3.030 20 0 EGADLP COc1ccc(C[C@@H]2CC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001180116246 1386701898 /nfs/dbraw/zinc/70/18/98/1386701898.db2.gz HKZBGDGUMJFHPD-HNNXBMFYSA-N 2 2 331.485 3.030 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276177 1386753178 /nfs/dbraw/zinc/75/31/78/1386753178.db2.gz OFXSZNMPRFUNCT-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001180389509 1386781769 /nfs/dbraw/zinc/78/17/69/1386781769.db2.gz JTDZUIVKMGHMDB-UHFFFAOYSA-N 2 2 337.467 3.483 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001180389509 1386781774 /nfs/dbraw/zinc/78/17/74/1386781774.db2.gz JTDZUIVKMGHMDB-UHFFFAOYSA-N 2 2 337.467 3.483 20 0 EGADLP CCCC[NH2+]C[C@]1(C)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001181467693 1386999158 /nfs/dbraw/zinc/99/91/58/1386999158.db2.gz AZFBWCPIBTWFTK-FOIQADDNSA-N 2 2 342.487 3.131 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001182855276 1387235039 /nfs/dbraw/zinc/23/50/39/1387235039.db2.gz GKTZRCIYQPXTOC-JXXFODFXSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001182855276 1387235043 /nfs/dbraw/zinc/23/50/43/1387235043.db2.gz GKTZRCIYQPXTOC-JXXFODFXSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001329302032 1389055091 /nfs/dbraw/zinc/05/50/91/1389055091.db2.gz FRGALMGWBJDJLA-MRXNPFEDSA-N 2 2 342.487 3.178 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001329302032 1389055093 /nfs/dbraw/zinc/05/50/93/1389055093.db2.gz FRGALMGWBJDJLA-MRXNPFEDSA-N 2 2 342.487 3.178 20 0 EGADLP CC[C@@H](CC(F)(F)F)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001330564781 1389456286 /nfs/dbraw/zinc/45/62/86/1389456286.db2.gz QIVPYQIQOHBLAF-NSHDSACASA-N 2 2 326.322 3.493 20 0 EGADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC001331434848 1389746982 /nfs/dbraw/zinc/74/69/82/1389746982.db2.gz NPOGFMLOZHWYAZ-QGZVFWFLSA-N 2 2 331.847 3.349 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001331997442 1389939674 /nfs/dbraw/zinc/93/96/74/1389939674.db2.gz OVGCMZNRYAFTKB-BBRMVZONSA-N 2 2 328.460 3.192 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C[NH2+]CC1CCCC1 ZINC001698765804 1406422361 /nfs/dbraw/zinc/42/23/61/1406422361.db2.gz SJNDGRCHYSSUNJ-MRXNPFEDSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001698767768 1406426043 /nfs/dbraw/zinc/42/60/43/1406426043.db2.gz YFUAPBSACIXOLQ-UONOGXRCSA-N 2 2 348.516 3.055 20 0 EGADLP CC(C)(C[NH3+])CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001340185462 1390245201 /nfs/dbraw/zinc/24/52/01/1390245201.db2.gz SRKNVKIKYKPSKC-UHFFFAOYSA-N 2 2 326.444 3.200 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CO2 ZINC001333161302 1390258015 /nfs/dbraw/zinc/25/80/15/1390258015.db2.gz MJPABGMGHDTBGK-QUCCMNQESA-N 2 2 349.434 3.226 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)cn1 ZINC001344377670 1390787834 /nfs/dbraw/zinc/78/78/34/1390787834.db2.gz IOFKXSZKRWKCDF-SFHVURJKSA-N 2 2 349.482 3.275 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2)cn1 ZINC001344377670 1390787835 /nfs/dbraw/zinc/78/78/35/1390787835.db2.gz IOFKXSZKRWKCDF-SFHVURJKSA-N 2 2 349.482 3.275 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001480362342 1392706698 /nfs/dbraw/zinc/70/66/98/1392706698.db2.gz FZRPYZMFHDKZHX-RBUKOAKNSA-N 2 2 340.471 3.074 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001480729168 1392890872 /nfs/dbraw/zinc/89/08/72/1392890872.db2.gz WWUASZFLCKZQGJ-KRWDZBQOSA-N 2 2 342.487 3.307 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001480729168 1392890877 /nfs/dbraw/zinc/89/08/77/1392890877.db2.gz WWUASZFLCKZQGJ-KRWDZBQOSA-N 2 2 342.487 3.307 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001480729489 1392891454 /nfs/dbraw/zinc/89/14/54/1392891454.db2.gz ZGWPCQARTYTQQQ-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001480729489 1392891457 /nfs/dbraw/zinc/89/14/57/1392891457.db2.gz ZGWPCQARTYTQQQ-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480731403 1392894691 /nfs/dbraw/zinc/89/46/91/1392894691.db2.gz UYFWEMBVYNJUON-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480731403 1392894696 /nfs/dbraw/zinc/89/46/96/1392894696.db2.gz UYFWEMBVYNJUON-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001481290766 1393159223 /nfs/dbraw/zinc/15/92/23/1393159223.db2.gz QHOXYPVYMUTSBR-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001481290766 1393159225 /nfs/dbraw/zinc/15/92/25/1393159225.db2.gz QHOXYPVYMUTSBR-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485394241 1395885788 /nfs/dbraw/zinc/88/57/88/1395885788.db2.gz GIVOLDCHGOODOB-CVEARBPZSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485394241 1395885793 /nfs/dbraw/zinc/88/57/93/1395885793.db2.gz GIVOLDCHGOODOB-CVEARBPZSA-N 2 2 346.450 3.000 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001494875810 1396504465 /nfs/dbraw/zinc/50/44/65/1396504465.db2.gz KOTWHDNIKCYDSR-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001494875810 1396504470 /nfs/dbraw/zinc/50/44/70/1396504470.db2.gz KOTWHDNIKCYDSR-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001699011081 1406839841 /nfs/dbraw/zinc/83/98/41/1406839841.db2.gz MCLYEICLYXRAEW-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001699011081 1406839848 /nfs/dbraw/zinc/83/98/48/1406839848.db2.gz MCLYEICLYXRAEW-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690027618 1404266487 /nfs/dbraw/zinc/26/64/87/1404266487.db2.gz SCSAQHNIMRVEBG-MSOLQXFVSA-N 2 2 348.535 3.439 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001690591331 1404642589 /nfs/dbraw/zinc/64/25/89/1404642589.db2.gz LNBZVWRTPLRBKX-AUUYWEPGSA-N 2 2 348.450 3.348 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001690777780 1404726842 /nfs/dbraw/zinc/72/68/42/1404726842.db2.gz RHLXKUKNFLISQB-IDSJHHPBSA-N 2 2 335.879 3.390 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983670 1404896637 /nfs/dbraw/zinc/89/66/37/1404896637.db2.gz TZQBALLQZURFCK-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983670 1404896641 /nfs/dbraw/zinc/89/66/41/1404896641.db2.gz TZQBALLQZURFCK-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983670 1404896647 /nfs/dbraw/zinc/89/66/47/1404896647.db2.gz TZQBALLQZURFCK-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983670 1404896653 /nfs/dbraw/zinc/89/66/53/1404896653.db2.gz TZQBALLQZURFCK-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172458 1405107961 /nfs/dbraw/zinc/10/79/61/1405107961.db2.gz GFSTYCBCAOGCLF-KBAYOESNSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172458 1405107963 /nfs/dbraw/zinc/10/79/63/1405107963.db2.gz GFSTYCBCAOGCLF-KBAYOESNSA-N 2 2 346.519 3.043 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H]1CC[C@H](C)O1 ZINC001691187612 1405125694 /nfs/dbraw/zinc/12/56/94/1405125694.db2.gz ODJJHXRQDKGYOE-WMZOPIPTSA-N 2 2 347.503 3.016 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H]1CC[C@H](C)O1 ZINC001691187612 1405125696 /nfs/dbraw/zinc/12/56/96/1405125696.db2.gz ODJJHXRQDKGYOE-WMZOPIPTSA-N 2 2 347.503 3.016 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001691365542 1405215195 /nfs/dbraw/zinc/21/51/95/1405215195.db2.gz DQIBOBRCWIAMGM-QYZOEREBSA-N 2 2 348.535 3.172 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396005 1428563419 /nfs/dbraw/zinc/56/34/19/1428563419.db2.gz FFFDCNVGFASLQN-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396005 1428563422 /nfs/dbraw/zinc/56/34/22/1428563422.db2.gz FFFDCNVGFASLQN-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001699876762 1413335479 /nfs/dbraw/zinc/33/54/79/1413335479.db2.gz IVQFZFBSQRRPRR-FQEVSTJZSA-N 2 2 348.535 3.305 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001699876762 1413335482 /nfs/dbraw/zinc/33/54/82/1413335482.db2.gz IVQFZFBSQRRPRR-FQEVSTJZSA-N 2 2 348.535 3.305 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001700462825 1414063845 /nfs/dbraw/zinc/06/38/45/1414063845.db2.gz FUEBTFDBOOYGHZ-HZPDHXFCSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001700462825 1414063854 /nfs/dbraw/zinc/06/38/54/1414063854.db2.gz FUEBTFDBOOYGHZ-HZPDHXFCSA-N 2 2 344.503 3.375 20 0 EGADLP CCC[NH2+][C@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001700500483 1414148608 /nfs/dbraw/zinc/14/86/08/1414148608.db2.gz RDJORLXFZUMKME-QGZVFWFLSA-N 2 2 330.476 3.129 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001732799973 1428980364 /nfs/dbraw/zinc/98/03/64/1428980364.db2.gz UTXCIKHZAYGSRX-MSOLQXFVSA-N 2 2 342.487 3.342 20 0 EGADLP CCCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CC2CC2)CC1 ZINC001713101280 1417654605 /nfs/dbraw/zinc/65/46/05/1417654605.db2.gz QOTGSGRLSUSXDP-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001713287650 1417914803 /nfs/dbraw/zinc/91/48/03/1417914803.db2.gz MNVSWJXYPFASQO-UHFFFAOYSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001713287650 1417914805 /nfs/dbraw/zinc/91/48/05/1417914805.db2.gz MNVSWJXYPFASQO-UHFFFAOYSA-N 2 2 346.519 3.330 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001713320399 1417945102 /nfs/dbraw/zinc/94/51/02/1417945102.db2.gz UCGACJHBKPDPIB-CHWSQXEVSA-N 2 2 340.402 3.171 20 0 EGADLP Cc1cccc(C)c1C[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713457826 1418111125 /nfs/dbraw/zinc/11/11/25/1418111125.db2.gz OTNAHRUPJWFQBP-UHFFFAOYSA-N 2 2 336.439 3.042 20 0 EGADLP Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713457826 1418111127 /nfs/dbraw/zinc/11/11/27/1418111127.db2.gz OTNAHRUPJWFQBP-UHFFFAOYSA-N 2 2 336.439 3.042 20 0 EGADLP O=C(NC[C@@H]([NH2+]CCC1CC1)c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001713701965 1418460344 /nfs/dbraw/zinc/46/03/44/1418460344.db2.gz ZOLSDOFUTMKQSJ-HXUWFJFHSA-N 2 2 348.450 3.424 20 0 EGADLP CC[C@@H](C(=O)NC1C[NH+]([C@@H](C)c2ccc3ccccc3c2)C1)[NH+](C)C ZINC001713839832 1418637016 /nfs/dbraw/zinc/63/70/16/1418637016.db2.gz KLRSDAOOIRXHEV-YWZLYKJASA-N 2 2 339.483 3.041 20 0 EGADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714048450 1418845903 /nfs/dbraw/zinc/84/59/03/1418845903.db2.gz BOMQQJWBESXACZ-SFHVURJKSA-N 2 2 348.535 3.102 20 0 EGADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714048450 1418845906 /nfs/dbraw/zinc/84/59/06/1418845906.db2.gz BOMQQJWBESXACZ-SFHVURJKSA-N 2 2 348.535 3.102 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001714388279 1419137735 /nfs/dbraw/zinc/13/77/35/1419137735.db2.gz VWQFNZOSEHQSKN-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCCC1 ZINC001714477617 1419201049 /nfs/dbraw/zinc/20/10/49/1419201049.db2.gz MDZJUKXKUOORTE-MRXNPFEDSA-N 2 2 342.487 3.403 20 0 EGADLP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715986432 1420444434 /nfs/dbraw/zinc/44/44/34/1420444434.db2.gz NPERQDHWTRBPDO-INIZCTEOSA-N 2 2 340.471 3.161 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716224843 1420571772 /nfs/dbraw/zinc/57/17/72/1420571772.db2.gz XDTGDQNAHUUQFB-HNNXBMFYSA-N 2 2 336.439 3.376 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716242975 1420579090 /nfs/dbraw/zinc/57/90/90/1420579090.db2.gz TZFJWGZAULDGSV-JKSUJKDBSA-N 2 2 346.450 3.173 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCC3CCCC3)ccn12 ZINC001716477526 1420693133 /nfs/dbraw/zinc/69/31/33/1420693133.db2.gz HGZGXDNRJXLQPS-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC3CCCC3)ccn12 ZINC001716477526 1420693135 /nfs/dbraw/zinc/69/31/35/1420693135.db2.gz HGZGXDNRJXLQPS-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP CCCC[N@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717210061 1421182592 /nfs/dbraw/zinc/18/25/92/1421182592.db2.gz WKRMUVLKCQLUQW-UHFFFAOYSA-N 2 2 328.460 3.066 20 0 EGADLP CCCC[N@@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717210061 1421182594 /nfs/dbraw/zinc/18/25/94/1421182594.db2.gz WKRMUVLKCQLUQW-UHFFFAOYSA-N 2 2 328.460 3.066 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CCCC1CCCC1 ZINC001717480413 1421415297 /nfs/dbraw/zinc/41/52/97/1421415297.db2.gz LECATKCOFHDUPT-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CCCC1CCCC1 ZINC001717480413 1421415298 /nfs/dbraw/zinc/41/52/98/1421415298.db2.gz LECATKCOFHDUPT-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461228 1429685939 /nfs/dbraw/zinc/68/59/39/1429685939.db2.gz KPQFCFVEEMHUJB-ICSRJNTNSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461228 1429685944 /nfs/dbraw/zinc/68/59/44/1429685944.db2.gz KPQFCFVEEMHUJB-ICSRJNTNSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCCC1 ZINC001724999169 1425407225 /nfs/dbraw/zinc/40/72/25/1425407225.db2.gz BYKODNKYSMUEGR-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCCC1CCCC1 ZINC001724999169 1425407226 /nfs/dbraw/zinc/40/72/26/1425407226.db2.gz BYKODNKYSMUEGR-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001725131120 1425600670 /nfs/dbraw/zinc/60/06/70/1425600670.db2.gz PUBNSPSKTQLNQX-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001725131120 1425600674 /nfs/dbraw/zinc/60/06/74/1425600674.db2.gz PUBNSPSKTQLNQX-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242927 1425854277 /nfs/dbraw/zinc/85/42/77/1425854277.db2.gz WQNUKMUCYOXNME-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242927 1425854283 /nfs/dbraw/zinc/85/42/83/1425854283.db2.gz WQNUKMUCYOXNME-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)c1 ZINC001725749158 1426427500 /nfs/dbraw/zinc/42/75/00/1426427500.db2.gz BGXVKCFVVSHFPN-CRAIPNDOSA-N 2 2 342.487 3.142 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001731812668 1427997519 /nfs/dbraw/zinc/99/75/19/1427997519.db2.gz JECRQAVMDBKYRM-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001731812668 1427997533 /nfs/dbraw/zinc/99/75/33/1427997533.db2.gz JECRQAVMDBKYRM-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1cccc(C)c1 ZINC001731873461 1428133900 /nfs/dbraw/zinc/13/39/00/1428133900.db2.gz IIDHIVCDKWOIER-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1cccc(C)c1 ZINC001731873461 1428133901 /nfs/dbraw/zinc/13/39/01/1428133901.db2.gz IIDHIVCDKWOIER-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC001731884411 1428157813 /nfs/dbraw/zinc/15/78/13/1428157813.db2.gz JOJXFCDTMZHZRT-RDJZCZTQSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](CC[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC001731884411 1428157814 /nfs/dbraw/zinc/15/78/14/1428157814.db2.gz JOJXFCDTMZHZRT-RDJZCZTQSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CCc2ccccc2)c(C)[nH+]1 ZINC001734336664 1438058700 /nfs/dbraw/zinc/05/87/00/1438058700.db2.gz YSTZNAAYJOZDIF-QGZVFWFLSA-N 2 2 339.483 3.300 20 0 EGADLP CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CC(C)C)CC1 ZINC001752439022 1440180605 /nfs/dbraw/zinc/18/06/05/1440180605.db2.gz CDGPJESKTNCTLR-KRWDZBQOSA-N 2 2 334.508 3.193 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752576496 1440195739 /nfs/dbraw/zinc/19/57/39/1440195739.db2.gz OZHVZXMSIGTBGX-HQYUYXFKSA-N 2 2 332.492 3.017 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752803167 1440215331 /nfs/dbraw/zinc/21/53/31/1440215331.db2.gz SBHFQRNFRSIENM-QGZVFWFLSA-N 2 2 342.487 3.212 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001752945256 1440251342 /nfs/dbraw/zinc/25/13/42/1440251342.db2.gz JHARINICUJVMHD-AWEZNQCLSA-N 2 2 343.393 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](CC1CCCCCC1)C(C)C ZINC001753293199 1440351224 /nfs/dbraw/zinc/35/12/24/1440351224.db2.gz ZTBLOFWREGLQBO-UHFFFAOYSA-N 2 2 348.535 3.448 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](CC1CCCCCC1)C(C)C ZINC001753293199 1440351225 /nfs/dbraw/zinc/35/12/25/1440351225.db2.gz ZTBLOFWREGLQBO-UHFFFAOYSA-N 2 2 348.535 3.448 20 0 EGADLP CCCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753335632 1440372112 /nfs/dbraw/zinc/37/21/12/1440372112.db2.gz WMMXZSMWGXXZSN-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP CCCC[N@H+]1CC[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753335632 1440372113 /nfs/dbraw/zinc/37/21/13/1440372113.db2.gz WMMXZSMWGXXZSN-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)c1ccccc1Cl ZINC001753493638 1440420545 /nfs/dbraw/zinc/42/05/45/1440420545.db2.gz OCJOVHFIVNAJCQ-OCCSQVGLSA-N 2 2 348.878 3.160 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001753587263 1440441704 /nfs/dbraw/zinc/44/17/04/1440441704.db2.gz ARBUJECTESYTQQ-KZNAEPCWSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CC2CCCCCC2)c[nH+]1 ZINC001753699033 1440468016 /nfs/dbraw/zinc/46/80/16/1440468016.db2.gz PEQZLYPUGWVKBX-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748593 1440481952 /nfs/dbraw/zinc/48/19/52/1440481952.db2.gz RDNKRGOHZBOOTD-DNVCBOLYSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748593 1440481953 /nfs/dbraw/zinc/48/19/53/1440481953.db2.gz RDNKRGOHZBOOTD-DNVCBOLYSA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001753757009 1440483330 /nfs/dbraw/zinc/48/33/30/1440483330.db2.gz LXVBJJHWZFOBLD-IAGOWNOFSA-N 2 2 342.487 3.211 20 0 EGADLP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001754056574 1440536272 /nfs/dbraw/zinc/53/62/72/1440536272.db2.gz KARZZUKWLPQWNI-UHFFFAOYSA-N 2 2 330.476 3.212 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)c[nH+]1 ZINC001754139284 1440544181 /nfs/dbraw/zinc/54/41/81/1440544181.db2.gz ZHONNGDNFGNIMB-BQYQJAHWSA-N 2 2 344.503 3.079 20 0 EGADLP C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754233547 1440554425 /nfs/dbraw/zinc/55/44/25/1440554425.db2.gz CZFJQLSSGCSRNN-OAHLLOKOSA-N 2 2 328.460 3.013 20 0 EGADLP CCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001754463450 1440603972 /nfs/dbraw/zinc/60/39/72/1440603972.db2.gz CREGMIXUYVVFIB-AEFFLSMTSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001754471453 1440605591 /nfs/dbraw/zinc/60/55/91/1440605591.db2.gz YYRADLJMVJZHRE-RBUKOAKNSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001754556733 1440631809 /nfs/dbraw/zinc/63/18/09/1440631809.db2.gz GKNIDTDXYXTSAF-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001754556733 1440631810 /nfs/dbraw/zinc/63/18/10/1440631810.db2.gz GKNIDTDXYXTSAF-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001754556733 1440631811 /nfs/dbraw/zinc/63/18/11/1440631811.db2.gz GKNIDTDXYXTSAF-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001754556733 1440631812 /nfs/dbraw/zinc/63/18/12/1440631812.db2.gz GKNIDTDXYXTSAF-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001754588171 1440640334 /nfs/dbraw/zinc/64/03/34/1440640334.db2.gz NHHSXFOUEHQMDB-LJQANCHMSA-N 2 2 345.531 3.258 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001754617705 1440644679 /nfs/dbraw/zinc/64/46/79/1440644679.db2.gz TYSDZNYNRBRCJT-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001754617705 1440644680 /nfs/dbraw/zinc/64/46/80/1440644680.db2.gz TYSDZNYNRBRCJT-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@H+](CCCF)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755183717 1440772147 /nfs/dbraw/zinc/77/21/47/1440772147.db2.gz OUVKYIVQZDFYJA-UHFFFAOYSA-N 2 2 346.450 3.097 20 0 EGADLP CC[N@@H+](CCCF)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755183717 1440772148 /nfs/dbraw/zinc/77/21/48/1440772148.db2.gz OUVKYIVQZDFYJA-UHFFFAOYSA-N 2 2 346.450 3.097 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001755241325 1440789541 /nfs/dbraw/zinc/78/95/41/1440789541.db2.gz YRELBYZOVCUSJG-GJZGRUSLSA-N 2 2 336.439 3.168 20 0 EGADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001755267612 1440796750 /nfs/dbraw/zinc/79/67/50/1440796750.db2.gz CSUZSZJTGFKAFW-DLBZAZTESA-N 2 2 346.519 3.117 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001755756429 1440914015 /nfs/dbraw/zinc/91/40/15/1440914015.db2.gz CWTXHGRPGOLRRC-BFYDXBDKSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001755756429 1440914016 /nfs/dbraw/zinc/91/40/16/1440914016.db2.gz CWTXHGRPGOLRRC-BFYDXBDKSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001755813533 1440921700 /nfs/dbraw/zinc/92/17/00/1440921700.db2.gz BEKUUNWMCXQURW-GOSISDBHSA-N 2 2 342.487 3.203 20 0 EGADLP CC(C)N(CC[N@@H+](C)[C@H](C)c1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001755813533 1440921701 /nfs/dbraw/zinc/92/17/01/1440921701.db2.gz BEKUUNWMCXQURW-GOSISDBHSA-N 2 2 342.487 3.203 20 0 EGADLP CC(C)N(CC[N@H+](C)CCCF)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755814284 1440922577 /nfs/dbraw/zinc/92/25/77/1440922577.db2.gz VZKFUUGGYBZWBT-UHFFFAOYSA-N 2 2 346.450 3.014 20 0 EGADLP CC(C)N(CC[N@@H+](C)CCCF)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755814284 1440922578 /nfs/dbraw/zinc/92/25/78/1440922578.db2.gz VZKFUUGGYBZWBT-UHFFFAOYSA-N 2 2 346.450 3.014 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001755848676 1440934285 /nfs/dbraw/zinc/93/42/85/1440934285.db2.gz XAMBOBKKXAQLIV-KRWDZBQOSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@H+](CCC2CCCCCC2)CC1 ZINC001755894844 1440942585 /nfs/dbraw/zinc/94/25/85/1440942585.db2.gz ZXEJKWYSIFIUMB-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@@H+](CCC2CCCCCC2)CC1 ZINC001755894844 1440942586 /nfs/dbraw/zinc/94/25/86/1440942586.db2.gz ZXEJKWYSIFIUMB-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH+]c1 ZINC001164727012 720567021 /nfs/dbraw/zinc/56/70/21/720567021.db2.gz ABLKZUOQCZXQGL-UHFFFAOYSA-N 2 2 339.487 3.060 20 0 EGADLP COc1cc(C)c[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862749 720985981 /nfs/dbraw/zinc/98/59/81/720985981.db2.gz UHFLXQWSNNXFAQ-HNNXBMFYSA-N 2 2 343.475 3.017 20 0 EGADLP COc1cc(C)c[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164862749 720985991 /nfs/dbraw/zinc/98/59/91/720985991.db2.gz UHFLXQWSNNXFAQ-HNNXBMFYSA-N 2 2 343.475 3.017 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530559 168369054 /nfs/dbraw/zinc/36/90/54/168369054.db2.gz NLRVELWZHQJGAW-ICSRJNTNSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530559 168369056 /nfs/dbraw/zinc/36/90/56/168369056.db2.gz NLRVELWZHQJGAW-ICSRJNTNSA-N 2 2 326.488 3.373 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000368569571 168374255 /nfs/dbraw/zinc/37/42/55/168374255.db2.gz MVJPDHJVHXZTLP-AWEZNQCLSA-N 2 2 333.867 3.162 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000368569571 168374259 /nfs/dbraw/zinc/37/42/59/168374259.db2.gz MVJPDHJVHXZTLP-AWEZNQCLSA-N 2 2 333.867 3.162 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000368578095 168376775 /nfs/dbraw/zinc/37/67/75/168376775.db2.gz ZJPRFTYFZCRQOL-MJGOQNOKSA-N 2 2 333.520 3.334 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000368578095 168376778 /nfs/dbraw/zinc/37/67/78/168376778.db2.gz ZJPRFTYFZCRQOL-MJGOQNOKSA-N 2 2 333.520 3.334 20 0 EGADLP OCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000174250040 231159516 /nfs/dbraw/zinc/15/95/16/231159516.db2.gz XLGUWDIGCKQCEJ-UHFFFAOYSA-N 2 2 334.847 3.180 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000178206675 232107748 /nfs/dbraw/zinc/10/77/48/232107748.db2.gz XZCWNQRCLQFRIG-CQSZACIVSA-N 2 2 345.512 3.443 20 0 EGADLP [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccccc1 ZINC000178657666 232348882 /nfs/dbraw/zinc/34/88/82/232348882.db2.gz JYNPLRUMOMCDMX-KRWDZBQOSA-N 2 2 348.450 3.444 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc(Cl)c1OC ZINC000067500825 215154195 /nfs/dbraw/zinc/15/41/95/215154195.db2.gz STQYTXDVICBNQA-ZDUSSCGKSA-N 2 2 337.851 3.370 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802107 215336442 /nfs/dbraw/zinc/33/64/42/215336442.db2.gz XGXHBPOVTYAWQP-CZUORRHYSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802107 215336445 /nfs/dbraw/zinc/33/64/45/215336445.db2.gz XGXHBPOVTYAWQP-CZUORRHYSA-N 2 2 330.303 3.280 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000181432330 234184725 /nfs/dbraw/zinc/18/47/25/234184725.db2.gz JUIVSXJHNJUXHI-CYBMUJFWSA-N 2 2 334.489 3.188 20 0 EGADLP OCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188010344 236380250 /nfs/dbraw/zinc/38/02/50/236380250.db2.gz QSJOBXOZYVYPND-APWZRJJASA-N 2 2 336.907 3.445 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000130934755 223189093 /nfs/dbraw/zinc/18/90/93/223189093.db2.gz DBAWZQWGBZXYSI-UHFFFAOYSA-N 2 2 343.406 3.211 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000130934755 223189096 /nfs/dbraw/zinc/18/90/96/223189096.db2.gz DBAWZQWGBZXYSI-UHFFFAOYSA-N 2 2 343.406 3.211 20 0 EGADLP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000191518618 239160677 /nfs/dbraw/zinc/16/06/77/239160677.db2.gz MAFWQPGWVQJTIA-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355757 242161402 /nfs/dbraw/zinc/16/14/02/242161402.db2.gz QOVGPMHDQOTELA-SJORKVTESA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355757 242161407 /nfs/dbraw/zinc/16/14/07/242161407.db2.gz QOVGPMHDQOTELA-SJORKVTESA-N 2 2 347.478 3.269 20 0 EGADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000238010264 242894311 /nfs/dbraw/zinc/89/43/11/242894311.db2.gz COOUOANCUJFPMZ-BBRMVZONSA-N 2 2 345.830 3.385 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246124321 243199167 /nfs/dbraw/zinc/19/91/67/243199167.db2.gz HRCGXNJYGDKBLO-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246124321 243199171 /nfs/dbraw/zinc/19/91/71/243199171.db2.gz HRCGXNJYGDKBLO-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246124321 243199175 /nfs/dbraw/zinc/19/91/75/243199175.db2.gz HRCGXNJYGDKBLO-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246124321 243199180 /nfs/dbraw/zinc/19/91/80/243199180.db2.gz HRCGXNJYGDKBLO-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220487 243213516 /nfs/dbraw/zinc/21/35/16/243213516.db2.gz ZBVFRFSYNIIALP-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246220487 243213520 /nfs/dbraw/zinc/21/35/20/243213520.db2.gz ZBVFRFSYNIIALP-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246220487 243213524 /nfs/dbraw/zinc/21/35/24/243213524.db2.gz ZBVFRFSYNIIALP-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246220487 243213528 /nfs/dbraw/zinc/21/35/28/243213528.db2.gz ZBVFRFSYNIIALP-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246337815 243234679 /nfs/dbraw/zinc/23/46/79/243234679.db2.gz HPINLKIXEAHAPQ-SJORKVTESA-N 2 2 331.504 3.329 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246337815 243234685 /nfs/dbraw/zinc/23/46/85/243234685.db2.gz HPINLKIXEAHAPQ-SJORKVTESA-N 2 2 331.504 3.329 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000247010834 243354780 /nfs/dbraw/zinc/35/47/80/243354780.db2.gz MEMZGDRSXYLRJE-HLIPFELVSA-N 3 2 326.488 3.080 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000247010834 243354783 /nfs/dbraw/zinc/35/47/83/243354783.db2.gz MEMZGDRSXYLRJE-HLIPFELVSA-N 3 2 326.488 3.080 20 0 EGADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262643773 245088358 /nfs/dbraw/zinc/08/83/58/245088358.db2.gz UDTABXDKSGRPQV-MAUKXSAKSA-N 2 2 325.412 3.121 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000262687535 245120654 /nfs/dbraw/zinc/12/06/54/245120654.db2.gz YILYKDMSMAPSSJ-IBGZPJMESA-N 2 2 326.444 3.342 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000078704638 217105213 /nfs/dbraw/zinc/10/52/13/217105213.db2.gz KQEFONSPMPHPQJ-YSTOQKLRSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000078704638 217105216 /nfs/dbraw/zinc/10/52/16/217105216.db2.gz KQEFONSPMPHPQJ-YSTOQKLRSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000078704638 217105218 /nfs/dbraw/zinc/10/52/18/217105218.db2.gz KQEFONSPMPHPQJ-YSTOQKLRSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000078704638 217105220 /nfs/dbraw/zinc/10/52/20/217105220.db2.gz KQEFONSPMPHPQJ-YSTOQKLRSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110821489 220069005 /nfs/dbraw/zinc/06/90/05/220069005.db2.gz FIXLMMUNFDGNRH-WBMJQRKESA-N 2 2 334.261 3.181 20 0 EGADLP CCCOc1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243327 220121193 /nfs/dbraw/zinc/12/11/93/220121193.db2.gz MRSGETPIUKMPAL-UHFFFAOYSA-N 2 2 329.444 3.388 20 0 EGADLP CCc1noc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000112086413 220241212 /nfs/dbraw/zinc/24/12/12/220241212.db2.gz KRSRZMYNWTVJKW-CQSZACIVSA-N 2 2 337.427 3.063 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC000264936368 247061554 /nfs/dbraw/zinc/06/15/54/247061554.db2.gz DAAVAPQOJXFNDY-HNNXBMFYSA-N 2 2 342.468 3.405 20 0 EGADLP CCC[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264905692 247031203 /nfs/dbraw/zinc/03/12/03/247031203.db2.gz LWRSGHVGFODNER-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3occc3C)cc2)CC1 ZINC000266169266 248145922 /nfs/dbraw/zinc/14/59/22/248145922.db2.gz BWAOUBXVGABORP-UHFFFAOYSA-N 2 2 327.472 3.015 20 0 EGADLP C[NH+]1CCN(c2ncccc2CNc2cc[nH+]c3ccsc32)CC1 ZINC000266351434 248260264 /nfs/dbraw/zinc/26/02/64/248260264.db2.gz JLEVDFUQBFUKSW-UHFFFAOYSA-N 2 2 339.468 3.055 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000377268048 169004412 /nfs/dbraw/zinc/00/44/12/169004412.db2.gz RVUNYCKSXYHLLY-AWEZNQCLSA-N 2 2 331.847 3.388 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000377268048 169004417 /nfs/dbraw/zinc/00/44/17/169004417.db2.gz RVUNYCKSXYHLLY-AWEZNQCLSA-N 2 2 331.847 3.388 20 0 EGADLP CC(C)n1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1 ZINC000377410740 169021816 /nfs/dbraw/zinc/02/18/16/169021816.db2.gz XPYFGHWSSMYTEY-MRXNPFEDSA-N 2 2 327.476 3.174 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539891 169038323 /nfs/dbraw/zinc/03/83/23/169038323.db2.gz GXOGWBPIETZAEP-JKSUJKDBSA-N 2 2 337.533 3.140 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539891 169038326 /nfs/dbraw/zinc/03/83/26/169038326.db2.gz GXOGWBPIETZAEP-JKSUJKDBSA-N 2 2 337.533 3.140 20 0 EGADLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C)o1 ZINC000378502977 169132437 /nfs/dbraw/zinc/13/24/37/169132437.db2.gz XAHCWFKWZKLLMA-LJQANCHMSA-N 2 2 343.471 3.315 20 0 EGADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(Cl)c1OC ZINC000092648587 218155939 /nfs/dbraw/zinc/15/59/39/218155939.db2.gz UAENOCBDCLBGSX-UHFFFAOYSA-N 2 2 335.835 3.391 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3cnccn23)CC[N@@H+]1Cc1ccccc1 ZINC000093318126 218214339 /nfs/dbraw/zinc/21/43/39/218214339.db2.gz JPALCXCIEPTFQN-HKUYNNGSSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3cnccn23)CC[N@H+]1Cc1ccccc1 ZINC000093318126 218214342 /nfs/dbraw/zinc/21/43/42/218214342.db2.gz JPALCXCIEPTFQN-HKUYNNGSSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318126 218214344 /nfs/dbraw/zinc/21/43/44/218214344.db2.gz JPALCXCIEPTFQN-HKUYNNGSSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318126 218214347 /nfs/dbraw/zinc/21/43/47/218214347.db2.gz JPALCXCIEPTFQN-HKUYNNGSSA-N 2 2 349.482 3.214 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1OC(F)F ZINC000093597508 218234654 /nfs/dbraw/zinc/23/46/54/218234654.db2.gz PSIVIIPTNAKRKD-CQSZACIVSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1OC(F)F ZINC000093597508 218234656 /nfs/dbraw/zinc/23/46/56/218234656.db2.gz PSIVIIPTNAKRKD-CQSZACIVSA-N 2 2 340.414 3.214 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741983 218244726 /nfs/dbraw/zinc/24/47/26/218244726.db2.gz KGMXKUDEQYBRST-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741983 218244730 /nfs/dbraw/zinc/24/47/30/218244730.db2.gz KGMXKUDEQYBRST-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741983 218244733 /nfs/dbraw/zinc/24/47/33/218244733.db2.gz KGMXKUDEQYBRST-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741983 218244734 /nfs/dbraw/zinc/24/47/34/218244734.db2.gz KGMXKUDEQYBRST-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCn1cc(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000093818733 218252544 /nfs/dbraw/zinc/25/25/44/218252544.db2.gz ZNRXNXQAQKKBNW-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cc(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000093818733 218252547 /nfs/dbraw/zinc/25/25/47/218252547.db2.gz ZNRXNXQAQKKBNW-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cc(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000093818733 218252549 /nfs/dbraw/zinc/25/25/49/218252549.db2.gz ZNRXNXQAQKKBNW-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cc(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000093818733 218252552 /nfs/dbraw/zinc/25/25/52/218252552.db2.gz ZNRXNXQAQKKBNW-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469510 251087247 /nfs/dbraw/zinc/08/72/47/251087247.db2.gz XNLXURQISYWCKP-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469510 251087251 /nfs/dbraw/zinc/08/72/51/251087251.db2.gz XNLXURQISYWCKP-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)s1)C[NH+]1CCOCC1 ZINC000153155547 224066443 /nfs/dbraw/zinc/06/64/43/224066443.db2.gz LPBXSLHHGAMLRE-NEPJUHHUSA-N 2 2 347.322 3.130 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1I ZINC000268705139 252156515 /nfs/dbraw/zinc/15/65/15/252156515.db2.gz BTNYFHOCZOCROQ-LLVKDONJSA-N 2 2 344.240 3.036 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268746920 252196935 /nfs/dbraw/zinc/19/69/35/252196935.db2.gz AYHILSFLDDGFRJ-ZRGWGRIASA-N 2 2 344.503 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268746920 252196938 /nfs/dbraw/zinc/19/69/38/252196938.db2.gz AYHILSFLDDGFRJ-ZRGWGRIASA-N 2 2 344.503 3.350 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000268814082 252265265 /nfs/dbraw/zinc/26/52/65/252265265.db2.gz LZJXYQOZJOGLMW-OAHLLOKOSA-N 2 2 332.879 3.179 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OC(F)F ZINC000268834264 252283733 /nfs/dbraw/zinc/28/37/33/252283733.db2.gz RWQSGVUJKBESJL-TYNCELHUSA-N 2 2 340.414 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OC(F)F ZINC000268834264 252283735 /nfs/dbraw/zinc/28/37/35/252283735.db2.gz RWQSGVUJKBESJL-TYNCELHUSA-N 2 2 340.414 3.430 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268873719 252320315 /nfs/dbraw/zinc/32/03/15/252320315.db2.gz JPDZFRGDZSWACP-NVXWUHKLSA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268873719 252320319 /nfs/dbraw/zinc/32/03/19/252320319.db2.gz JPDZFRGDZSWACP-NVXWUHKLSA-N 2 2 342.439 3.209 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc(OC)c1OC ZINC000163813252 533114844 /nfs/dbraw/zinc/11/48/44/533114844.db2.gz QMKRFRUPPFYUMC-CQSZACIVSA-N 2 2 345.443 3.260 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21)C[NH+]1CCCC1 ZINC000360233273 285306862 /nfs/dbraw/zinc/30/68/62/285306862.db2.gz GMPTYJUGEJPPGN-JQWIXIFHSA-N 2 2 349.327 3.479 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000154875129 224320168 /nfs/dbraw/zinc/32/01/68/224320168.db2.gz SCXHHHHFLFQAJF-IBGZPJMESA-N 2 2 332.488 3.218 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc[nH+]1 ZINC000119157284 221255640 /nfs/dbraw/zinc/25/56/40/221255640.db2.gz PTDUNQNYQHTDHB-OAHLLOKOSA-N 2 2 330.457 3.410 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccnc1Cl ZINC000178231954 533340050 /nfs/dbraw/zinc/34/00/50/533340050.db2.gz AGRQPSGPIYSVHF-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129116978 533370188 /nfs/dbraw/zinc/37/01/88/533370188.db2.gz VIECSBLFASPIFO-QGZVFWFLSA-N 2 2 340.471 3.316 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836134 533435703 /nfs/dbraw/zinc/43/57/03/533435703.db2.gz VDEMVRZOXWQUBT-MJGOQNOKSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836134 533435709 /nfs/dbraw/zinc/43/57/09/533435709.db2.gz VDEMVRZOXWQUBT-MJGOQNOKSA-N 2 2 325.456 3.023 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246996076 141048373 /nfs/dbraw/zinc/04/83/73/141048373.db2.gz PTNRGOPTWQAUOR-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246996076 141048375 /nfs/dbraw/zinc/04/83/75/141048375.db2.gz PTNRGOPTWQAUOR-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000246996076 141048377 /nfs/dbraw/zinc/04/83/77/141048377.db2.gz PTNRGOPTWQAUOR-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000246996076 141048381 /nfs/dbraw/zinc/04/83/81/141048381.db2.gz PTNRGOPTWQAUOR-ICSRJNTNSA-N 2 2 345.531 3.164 20 0 EGADLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000337870729 141069539 /nfs/dbraw/zinc/06/95/39/141069539.db2.gz NOWNRTKDEKHDCK-GFCCVEGCSA-N 2 2 343.349 3.011 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000346617543 141204843 /nfs/dbraw/zinc/20/48/43/141204843.db2.gz GCZCMMCOZOBGSX-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC000346617543 141204844 /nfs/dbraw/zinc/20/48/44/141204844.db2.gz GCZCMMCOZOBGSX-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000352935554 141272031 /nfs/dbraw/zinc/27/20/31/141272031.db2.gz ZMEFHDUDJZHCKH-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000352935554 141272033 /nfs/dbraw/zinc/27/20/33/141272033.db2.gz ZMEFHDUDJZHCKH-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OCC ZINC000352935554 141272035 /nfs/dbraw/zinc/27/20/35/141272035.db2.gz ZMEFHDUDJZHCKH-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OCC ZINC000352935554 141272036 /nfs/dbraw/zinc/27/20/36/141272036.db2.gz ZMEFHDUDJZHCKH-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)C1CC[NH+](CCO)CC1 ZINC000353351976 141293132 /nfs/dbraw/zinc/29/31/32/141293132.db2.gz KZUBCVNHQSSYME-UHFFFAOYSA-N 2 2 348.874 3.489 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)o1)C1CC[NH+](CCO)CC1 ZINC000353351976 141293133 /nfs/dbraw/zinc/29/31/33/141293133.db2.gz KZUBCVNHQSSYME-UHFFFAOYSA-N 2 2 348.874 3.489 20 0 EGADLP Cc1ccc(CCCNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c[nH+]1 ZINC000354566761 141307018 /nfs/dbraw/zinc/30/70/18/141307018.db2.gz IIPZFIOBWRQUPZ-CALCHBBNSA-N 2 2 340.471 3.443 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@@H+]1C ZINC000344680344 144208964 /nfs/dbraw/zinc/20/89/64/144208964.db2.gz NFZJZFWCXJHETP-YPMHNXCESA-N 2 2 340.393 3.164 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@H+]1C ZINC000344680344 144208965 /nfs/dbraw/zinc/20/89/65/144208965.db2.gz NFZJZFWCXJHETP-YPMHNXCESA-N 2 2 340.393 3.164 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379500 144262755 /nfs/dbraw/zinc/26/27/55/144262755.db2.gz COFPQCXIRQTVBL-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379500 144262757 /nfs/dbraw/zinc/26/27/57/144262757.db2.gz COFPQCXIRQTVBL-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379500 144262759 /nfs/dbraw/zinc/26/27/59/144262759.db2.gz COFPQCXIRQTVBL-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379500 144262761 /nfs/dbraw/zinc/26/27/61/144262761.db2.gz COFPQCXIRQTVBL-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474646 144266678 /nfs/dbraw/zinc/26/66/78/144266678.db2.gz GPZAPIIJANGZEJ-SMDDNHRTSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474646 144266680 /nfs/dbraw/zinc/26/66/80/144266680.db2.gz GPZAPIIJANGZEJ-SMDDNHRTSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351474646 144266681 /nfs/dbraw/zinc/26/66/81/144266681.db2.gz GPZAPIIJANGZEJ-SMDDNHRTSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351474646 144266683 /nfs/dbraw/zinc/26/66/83/144266683.db2.gz GPZAPIIJANGZEJ-SMDDNHRTSA-N 2 2 331.287 3.441 20 0 EGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CC)C(=O)OCC ZINC000361652611 144343913 /nfs/dbraw/zinc/34/39/13/144343913.db2.gz GIVJXSWOZKWVGE-GOSISDBHSA-N 2 2 329.444 3.426 20 0 EGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](CC)C(=O)OCC ZINC000361652611 144343914 /nfs/dbraw/zinc/34/39/14/144343914.db2.gz GIVJXSWOZKWVGE-GOSISDBHSA-N 2 2 329.444 3.426 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccc(N2CCCC2=O)c1 ZINC000361661415 144345916 /nfs/dbraw/zinc/34/59/16/144345916.db2.gz FPMRSAMLZDLNFR-RDJZCZTQSA-N 2 2 338.455 3.238 20 0 EGADLP CC1CC[NH+](CCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000341450094 155297775 /nfs/dbraw/zinc/29/77/75/155297775.db2.gz GWLBTFMJSYZOOI-UHFFFAOYSA-N 3 2 344.547 3.148 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000117755747 152112866 /nfs/dbraw/zinc/11/28/66/152112866.db2.gz AZLMSFPNIGIHLU-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCNc2cccc[nH+]2)o1 ZINC000119019160 152167209 /nfs/dbraw/zinc/16/72/09/152167209.db2.gz XRXFFLOLNXDYNH-UHFFFAOYSA-N 2 2 325.416 3.355 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc[nH+]c(C)c2)cc1F ZINC000119270335 152189952 /nfs/dbraw/zinc/18/99/52/152189952.db2.gz UXOHNTVBRBJENH-UHFFFAOYSA-N 2 2 339.374 3.345 20 0 EGADLP COc1cccc(C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)c1 ZINC000121049559 152321318 /nfs/dbraw/zinc/32/13/18/152321318.db2.gz NFZDVYHNOWMXCO-FQEVSTJZSA-N 2 2 339.483 3.381 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)c[nH+]1 ZINC000121204793 152335478 /nfs/dbraw/zinc/33/54/78/152335478.db2.gz FFXXTBMORFKURD-FQEVSTJZSA-N 2 2 341.455 3.278 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@@H](C)O1 ZINC000190715702 153156568 /nfs/dbraw/zinc/15/65/68/153156568.db2.gz GIJSAPCZQWRLJJ-IAGOWNOFSA-N 2 2 332.488 3.064 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000190749747 153157628 /nfs/dbraw/zinc/15/76/28/153157628.db2.gz GYPODGXPOSYKCP-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000190755470 153157748 /nfs/dbraw/zinc/15/77/48/153157748.db2.gz WRSGQLIFHOMOSF-FQEVSTJZSA-N 2 2 338.499 3.292 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000190755470 153157750 /nfs/dbraw/zinc/15/77/50/153157750.db2.gz WRSGQLIFHOMOSF-FQEVSTJZSA-N 2 2 338.499 3.292 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Br)o2)cn1 ZINC000190802472 153160172 /nfs/dbraw/zinc/16/01/72/153160172.db2.gz YVUMTAFDASJMAQ-UHFFFAOYSA-N 2 2 347.216 3.221 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000192042641 153239016 /nfs/dbraw/zinc/23/90/16/153239016.db2.gz NFXQIYUBUPEIDR-LJQANCHMSA-N 3 2 338.499 3.489 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000192042641 153239019 /nfs/dbraw/zinc/23/90/19/153239019.db2.gz NFXQIYUBUPEIDR-LJQANCHMSA-N 3 2 338.499 3.489 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261594543 153682526 /nfs/dbraw/zinc/68/25/26/153682526.db2.gz ZVQPTUCHJMAVAZ-FXAWDEMLSA-N 2 2 340.467 3.122 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414850070 309105489 /nfs/dbraw/zinc/10/54/89/309105489.db2.gz SARIAZIOQOWUJN-BEFAXECRSA-N 2 2 327.472 3.434 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC000310607531 154141554 /nfs/dbraw/zinc/14/15/54/154141554.db2.gz AHJPCBPFYAAYDX-OXQOHEQNSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC000310607531 154141558 /nfs/dbraw/zinc/14/15/58/154141558.db2.gz AHJPCBPFYAAYDX-OXQOHEQNSA-N 2 2 340.467 3.456 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808487 154165117 /nfs/dbraw/zinc/16/51/17/154165117.db2.gz QQKUHWDVAHHDRR-APHBMKBZSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808487 154165121 /nfs/dbraw/zinc/16/51/21/154165121.db2.gz QQKUHWDVAHHDRR-APHBMKBZSA-N 2 2 328.378 3.219 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000337373527 154317226 /nfs/dbraw/zinc/31/72/26/154317226.db2.gz FFLAXDNPAJQUPT-UXLLHSPISA-N 2 2 332.488 3.158 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000337373527 154317230 /nfs/dbraw/zinc/31/72/30/154317230.db2.gz FFLAXDNPAJQUPT-UXLLHSPISA-N 2 2 332.488 3.158 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000337399836 154333489 /nfs/dbraw/zinc/33/34/89/154333489.db2.gz QPDHTSLDLGPZGA-DOTOQJQBSA-N 2 2 334.504 3.265 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000337399836 154333493 /nfs/dbraw/zinc/33/34/93/154333493.db2.gz QPDHTSLDLGPZGA-DOTOQJQBSA-N 2 2 334.504 3.265 20 0 EGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000337408665 154338232 /nfs/dbraw/zinc/33/82/32/154338232.db2.gz UQZMXZZTLXPWBD-OALUTQOASA-N 2 2 327.472 3.269 20 0 EGADLP C[C@H](CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442895 154355444 /nfs/dbraw/zinc/35/54/44/154355444.db2.gz GUUALHNDTLPCQS-TZIWHRDSSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@H](CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442895 154355448 /nfs/dbraw/zinc/35/54/48/154355448.db2.gz GUUALHNDTLPCQS-TZIWHRDSSA-N 2 2 346.515 3.026 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)ccc1OC(F)F ZINC000346813013 156147149 /nfs/dbraw/zinc/14/71/49/156147149.db2.gz YDBHYRROMKAPCC-SGMGOOAPSA-N 2 2 328.403 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)ccc1OC(F)F ZINC000346813013 156147152 /nfs/dbraw/zinc/14/71/52/156147152.db2.gz YDBHYRROMKAPCC-SGMGOOAPSA-N 2 2 328.403 3.430 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971361 156222720 /nfs/dbraw/zinc/22/27/20/156222720.db2.gz HBHDLGLLMZKVJA-SJLPKXTDSA-N 2 2 347.503 3.004 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000346971361 156222723 /nfs/dbraw/zinc/22/27/23/156222723.db2.gz HBHDLGLLMZKVJA-SJLPKXTDSA-N 2 2 347.503 3.004 20 0 EGADLP C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1cccc2[nH+]ccn21 ZINC000349077945 156344474 /nfs/dbraw/zinc/34/44/74/156344474.db2.gz QUHHNQFFZWMNNH-UHFFFAOYSA-N 2 2 326.419 3.037 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405318 157115263 /nfs/dbraw/zinc/11/52/63/157115263.db2.gz SMPOKEBDAQTZLH-HOCLYGCPSA-N 2 2 344.459 3.222 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405318 157115264 /nfs/dbraw/zinc/11/52/64/157115264.db2.gz SMPOKEBDAQTZLH-HOCLYGCPSA-N 2 2 344.459 3.222 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683434 162023355 /nfs/dbraw/zinc/02/33/55/162023355.db2.gz MVTFPSBMWCZNDQ-MRXNPFEDSA-N 2 2 328.460 3.286 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000093683434 162023356 /nfs/dbraw/zinc/02/33/56/162023356.db2.gz MVTFPSBMWCZNDQ-MRXNPFEDSA-N 2 2 328.460 3.286 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683343 162023431 /nfs/dbraw/zinc/02/34/31/162023431.db2.gz ZQZAKQYTEVPBHP-INIZCTEOSA-N 2 2 336.549 3.297 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683343 162023434 /nfs/dbraw/zinc/02/34/34/162023434.db2.gz ZQZAKQYTEVPBHP-INIZCTEOSA-N 2 2 336.549 3.297 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479299 162234942 /nfs/dbraw/zinc/23/49/42/162234942.db2.gz GYBQGSHVXDJKOV-HZPDHXFCSA-N 2 2 331.504 3.022 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479299 162234945 /nfs/dbraw/zinc/23/49/45/162234945.db2.gz GYBQGSHVXDJKOV-HZPDHXFCSA-N 2 2 331.504 3.022 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000126425119 162301962 /nfs/dbraw/zinc/30/19/62/162301962.db2.gz STJALKAVVXAYOQ-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000126824240 162313398 /nfs/dbraw/zinc/31/33/98/162313398.db2.gz XIQXZAYVSMVZIP-VXIBKDFQSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000126824240 162313403 /nfs/dbraw/zinc/31/34/03/162313403.db2.gz XIQXZAYVSMVZIP-VXIBKDFQSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126824240 162313406 /nfs/dbraw/zinc/31/34/06/162313406.db2.gz XIQXZAYVSMVZIP-VXIBKDFQSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126824240 162313410 /nfs/dbraw/zinc/31/34/10/162313410.db2.gz XIQXZAYVSMVZIP-VXIBKDFQSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000248864708 163040404 /nfs/dbraw/zinc/04/04/04/163040404.db2.gz HKBMIBAJDCQWDN-MISYRCLQSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000248864708 163040407 /nfs/dbraw/zinc/04/04/07/163040407.db2.gz HKBMIBAJDCQWDN-MISYRCLQSA-N 2 2 331.504 3.231 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248899193 163044587 /nfs/dbraw/zinc/04/45/87/163044587.db2.gz UZGZQISRSCVGIT-QUCCMNQESA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248899193 163044590 /nfs/dbraw/zinc/04/45/90/163044590.db2.gz UZGZQISRSCVGIT-QUCCMNQESA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000248899193 163044593 /nfs/dbraw/zinc/04/45/93/163044593.db2.gz UZGZQISRSCVGIT-QUCCMNQESA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000248899193 163044595 /nfs/dbraw/zinc/04/45/95/163044595.db2.gz UZGZQISRSCVGIT-QUCCMNQESA-N 2 2 342.531 3.375 20 0 EGADLP CCc1cc(OC)ccc1C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000337261550 163185095 /nfs/dbraw/zinc/18/50/95/163185095.db2.gz QKOSIAOYBYXQMC-QFBILLFUSA-N 2 2 329.444 3.001 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C[N@@H+](CC)C3CC3)ccc2n1C1CC1 ZINC000338504554 163250636 /nfs/dbraw/zinc/25/06/36/163250636.db2.gz WBNGMVJLGNAIPN-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C[N@H+](CC)C3CC3)ccc2n1C1CC1 ZINC000338504554 163250639 /nfs/dbraw/zinc/25/06/39/163250639.db2.gz WBNGMVJLGNAIPN-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP Cc1ccc(CCC[NH2+]CCCC(=O)N2CCc3ccccc32)c[nH+]1 ZINC000354349284 166007171 /nfs/dbraw/zinc/00/71/71/166007171.db2.gz SDGVLVPOSFUPQZ-UHFFFAOYSA-N 2 2 337.467 3.282 20 0 EGADLP CCc1oc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1C(=O)OC ZINC000338941664 163395944 /nfs/dbraw/zinc/39/59/44/163395944.db2.gz LBXKYFSROBFQIB-UHFFFAOYSA-N 2 2 334.460 3.125 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCC2 ZINC000344034104 164087611 /nfs/dbraw/zinc/08/76/11/164087611.db2.gz NFCZDAKUXVRALD-IAGOWNOFSA-N 2 2 338.561 3.285 20 0 EGADLP CO[C@H](C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)C(C)C ZINC000344217550 164129457 /nfs/dbraw/zinc/12/94/57/164129457.db2.gz WFMPHAVTTBVKLY-CQSZACIVSA-N 2 2 340.265 3.166 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000344338580 164160283 /nfs/dbraw/zinc/16/02/83/164160283.db2.gz XOMRJXSGLFMGIN-DFQSSKMNSA-N 2 2 342.483 3.480 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000344338580 164160285 /nfs/dbraw/zinc/16/02/85/164160285.db2.gz XOMRJXSGLFMGIN-DFQSSKMNSA-N 2 2 342.483 3.480 20 0 EGADLP CC[C@@H](C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)[NH+](CC)CC ZINC000345632995 164231166 /nfs/dbraw/zinc/23/11/66/164231166.db2.gz MUAVUNAQTQFYAM-SFHVURJKSA-N 2 2 342.487 3.010 20 0 EGADLP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000346086917 164333330 /nfs/dbraw/zinc/33/33/30/164333330.db2.gz TXXCCZAWDRCGOE-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346422494 164384223 /nfs/dbraw/zinc/38/42/23/164384223.db2.gz AWDJOIWSZFJNIK-SFHVURJKSA-N 2 2 332.488 3.363 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346422494 164384225 /nfs/dbraw/zinc/38/42/25/164384225.db2.gz AWDJOIWSZFJNIK-SFHVURJKSA-N 2 2 332.488 3.363 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000354972987 166076869 /nfs/dbraw/zinc/07/68/69/166076869.db2.gz VOJIPDOLNUPYQO-XDKFSHSGSA-N 2 2 342.512 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000354972987 166076872 /nfs/dbraw/zinc/07/68/72/166076872.db2.gz VOJIPDOLNUPYQO-XDKFSHSGSA-N 2 2 342.512 3.408 20 0 EGADLP CCCOc1cccc2c(NCCC[NH+]3CCOCC3)cc[nH+]c12 ZINC000350250459 165021664 /nfs/dbraw/zinc/02/16/64/165021664.db2.gz NMZRAYDGSJMVMV-UHFFFAOYSA-N 2 2 329.444 3.158 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@H+](C)CCCO)CC3)cc2c1C ZINC000351996882 165184765 /nfs/dbraw/zinc/18/47/65/165184765.db2.gz QLJVCZWYOUHGEA-UHFFFAOYSA-N 2 2 329.488 3.063 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cc2c1C ZINC000351996882 165184769 /nfs/dbraw/zinc/18/47/69/165184769.db2.gz QLJVCZWYOUHGEA-UHFFFAOYSA-N 2 2 329.488 3.063 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000352102739 165236913 /nfs/dbraw/zinc/23/69/13/165236913.db2.gz RCVUBGYZQJRVDN-QGZVFWFLSA-N 2 2 335.451 3.400 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000355034245 166089957 /nfs/dbraw/zinc/08/99/57/166089957.db2.gz SCCHMGRBHIQNHH-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000355034245 166089959 /nfs/dbraw/zinc/08/99/59/166089959.db2.gz SCCHMGRBHIQNHH-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)n2c1 ZINC000352296508 165331825 /nfs/dbraw/zinc/33/18/25/165331825.db2.gz FGHWEFJYUNVCTN-KURKYZTESA-N 2 2 326.488 3.480 20 0 EGADLP CC(C)Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000355292422 166155638 /nfs/dbraw/zinc/15/56/38/166155638.db2.gz PAVXXYKYLJRIAV-OYRHEFFESA-N 2 2 338.499 3.103 20 0 EGADLP CC(C)Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000355292422 166155642 /nfs/dbraw/zinc/15/56/42/166155642.db2.gz PAVXXYKYLJRIAV-OYRHEFFESA-N 2 2 338.499 3.103 20 0 EGADLP CC(C)Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000355292422 166155643 /nfs/dbraw/zinc/15/56/43/166155643.db2.gz PAVXXYKYLJRIAV-OYRHEFFESA-N 2 2 338.499 3.103 20 0 EGADLP CC(C)Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000355292422 166155645 /nfs/dbraw/zinc/15/56/45/166155645.db2.gz PAVXXYKYLJRIAV-OYRHEFFESA-N 2 2 338.499 3.103 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000359068670 167057097 /nfs/dbraw/zinc/05/70/97/167057097.db2.gz VYGFZABXDQUJBI-PMACEKPBSA-N 2 2 340.467 3.204 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000359068670 167057099 /nfs/dbraw/zinc/05/70/99/167057099.db2.gz VYGFZABXDQUJBI-PMACEKPBSA-N 2 2 340.467 3.204 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000360570201 167359776 /nfs/dbraw/zinc/35/97/76/167359776.db2.gz QGNTUVIGZJBCCT-GOSISDBHSA-N 2 2 331.847 3.489 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000360570201 167359777 /nfs/dbraw/zinc/35/97/77/167359777.db2.gz QGNTUVIGZJBCCT-GOSISDBHSA-N 2 2 331.847 3.489 20 0 EGADLP C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030484 168171302 /nfs/dbraw/zinc/17/13/02/168171302.db2.gz QSFDFKFAPPWDSU-YLJYHZDGSA-N 2 2 349.950 3.230 20 0 EGADLP C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367030484 168171305 /nfs/dbraw/zinc/17/13/05/168171305.db2.gz QSFDFKFAPPWDSU-YLJYHZDGSA-N 2 2 349.950 3.230 20 0 EGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000367386182 168219073 /nfs/dbraw/zinc/21/90/73/168219073.db2.gz PVRSGCNEPFOEMQ-BBRMVZONSA-N 2 2 329.419 3.494 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C2CC2)c1 ZINC000367438559 168225793 /nfs/dbraw/zinc/22/57/93/168225793.db2.gz NSVOAKOQCXBZCN-LJQANCHMSA-N 2 2 325.456 3.339 20 0 EGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)OCCO2 ZINC000367440170 168226317 /nfs/dbraw/zinc/22/63/17/168226317.db2.gz ZYAAXTJNACVKPE-MRXNPFEDSA-N 2 2 327.428 3.232 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507121 265322501 /nfs/dbraw/zinc/32/25/01/265322501.db2.gz TVZVBVYIBJAWPN-HFAKWTLXSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000178507121 265322504 /nfs/dbraw/zinc/32/25/04/265322504.db2.gz TVZVBVYIBJAWPN-HFAKWTLXSA-N 2 2 329.257 3.407 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000179847132 265390770 /nfs/dbraw/zinc/39/07/70/265390770.db2.gz PIMKPAMCXAOUIV-UHFFFAOYSA-N 2 2 338.455 3.424 20 0 EGADLP Cc1ccc(C[NH+](C)CC(O)C[N@@H+](C)Cc2ccc(C)s2)s1 ZINC000194473149 266120699 /nfs/dbraw/zinc/12/06/99/266120699.db2.gz BCTQQVDCCYNRLE-UHFFFAOYSA-N 2 2 338.542 3.351 20 0 EGADLP Cc1ccc(C[NH+](C)CC(O)C[N@H+](C)Cc2ccc(C)s2)s1 ZINC000194473149 266120702 /nfs/dbraw/zinc/12/07/02/266120702.db2.gz BCTQQVDCCYNRLE-UHFFFAOYSA-N 2 2 338.542 3.351 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C[C@@H]2C1 ZINC000194536691 266126732 /nfs/dbraw/zinc/12/67/32/266126732.db2.gz RXGVZRZIKGWMFP-CALCHBBNSA-N 2 2 338.499 3.163 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C[C@@H]2C1 ZINC000194536691 266126735 /nfs/dbraw/zinc/12/67/35/266126735.db2.gz RXGVZRZIKGWMFP-CALCHBBNSA-N 2 2 338.499 3.163 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C[C@@H]2C1 ZINC000194536691 266126736 /nfs/dbraw/zinc/12/67/36/266126736.db2.gz RXGVZRZIKGWMFP-CALCHBBNSA-N 2 2 338.499 3.163 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3C(C)(C)C)C[C@@H]2C1 ZINC000194536691 266126740 /nfs/dbraw/zinc/12/67/40/266126740.db2.gz RXGVZRZIKGWMFP-CALCHBBNSA-N 2 2 338.499 3.163 20 0 EGADLP CC(C)[NH+](CCCNC(=O)NCCCCNc1cccc[nH+]1)C(C)C ZINC000266861741 266276505 /nfs/dbraw/zinc/27/65/05/266276505.db2.gz OUEPZZYSKFXSIU-UHFFFAOYSA-N 2 2 349.523 3.082 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000268881364 266284483 /nfs/dbraw/zinc/28/44/83/266284483.db2.gz FKVYVRTYYRSMJR-QWHCGFSZSA-N 2 2 335.883 3.220 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000269465135 266299064 /nfs/dbraw/zinc/29/90/64/266299064.db2.gz YYASZOAJYGCIFU-CQSZACIVSA-N 2 2 331.485 3.135 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc4cc[nH]c43)[nH+]c2)C1 ZINC000269476835 266300739 /nfs/dbraw/zinc/30/07/39/266300739.db2.gz DNKHBTYUGQXIAN-SFHVURJKSA-N 2 2 335.455 3.315 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1C ZINC000269650258 266334276 /nfs/dbraw/zinc/33/42/76/266334276.db2.gz IFEDLLUBSDKBGD-SFHVURJKSA-N 2 2 345.487 3.072 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c3c2CCC3)cc1 ZINC000269966948 266392156 /nfs/dbraw/zinc/39/21/56/266392156.db2.gz NKMWRJHTFJDUNC-FUHWJXTLSA-N 2 2 336.483 3.077 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c3c2CCC3)cc1 ZINC000269966948 266392157 /nfs/dbraw/zinc/39/21/57/266392157.db2.gz NKMWRJHTFJDUNC-FUHWJXTLSA-N 2 2 336.483 3.077 20 0 EGADLP Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000273436369 267039063 /nfs/dbraw/zinc/03/90/63/267039063.db2.gz YMDKYTAXHJMYGL-HUUCEWRRSA-N 2 2 344.484 3.130 20 0 EGADLP Cc1cncc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000274331892 267219636 /nfs/dbraw/zinc/21/96/36/267219636.db2.gz BELZHCSVKXPXLZ-INIZCTEOSA-N 2 2 339.487 3.489 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cn1 ZINC000274745076 267280032 /nfs/dbraw/zinc/28/00/32/267280032.db2.gz ARUHFQZHEFXJPE-MORSLUCNSA-N 2 2 337.895 3.154 20 0 EGADLP CC(C)Cc1ncc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000275519222 267374147 /nfs/dbraw/zinc/37/41/47/267374147.db2.gz KZTRKSBRZKHWDI-XJKSGUPXSA-N 2 2 334.489 3.085 20 0 EGADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000373594022 273634515 /nfs/dbraw/zinc/63/45/15/273634515.db2.gz NLDUEKQROXBDRK-HNNXBMFYSA-N 2 2 342.487 3.239 20 0 EGADLP O=C1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2cc(F)ccc2N1 ZINC000359063304 275017706 /nfs/dbraw/zinc/01/77/06/275017706.db2.gz BATIAUMTFLFOBO-VMBOVVBDSA-N 2 2 331.435 3.206 20 0 EGADLP OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828963 275050110 /nfs/dbraw/zinc/05/01/10/275050110.db2.gz ZVLTUJQPWFQIKS-KNQAVFIVSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828963 275050111 /nfs/dbraw/zinc/05/01/11/275050111.db2.gz ZVLTUJQPWFQIKS-KNQAVFIVSA-N 2 2 349.478 3.141 20 0 EGADLP c1cn(-c2ccc(C[N@@H+](C[C@H]3CCCO3)[C@H]3CCSC3)cc2)c[nH+]1 ZINC000245993348 275072372 /nfs/dbraw/zinc/07/23/72/275072372.db2.gz XHIVBWQPFWWDTD-RBUKOAKNSA-N 2 2 343.496 3.359 20 0 EGADLP c1cn(-c2ccc(C[N@H+](C[C@H]3CCCO3)[C@H]3CCSC3)cc2)c[nH+]1 ZINC000245993348 275072373 /nfs/dbraw/zinc/07/23/73/275072373.db2.gz XHIVBWQPFWWDTD-RBUKOAKNSA-N 2 2 343.496 3.359 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000090913900 275153744 /nfs/dbraw/zinc/15/37/44/275153744.db2.gz TXJROAUXBNHOMW-JAXLGGSGSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CC2 ZINC000090913900 275153745 /nfs/dbraw/zinc/15/37/45/275153745.db2.gz TXJROAUXBNHOMW-JAXLGGSGSA-N 2 2 336.479 3.207 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000110819969 275181562 /nfs/dbraw/zinc/18/15/62/275181562.db2.gz IJKDHVHPSDONFG-OAHLLOKOSA-N 2 2 325.294 3.236 20 0 EGADLP Cc1nc(C)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000271935558 275242920 /nfs/dbraw/zinc/24/29/20/275242920.db2.gz ABGGVAVUAZTEBF-CJNGLKHVSA-N 2 2 345.516 3.468 20 0 EGADLP Cc1nc(C)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000271935555 275242935 /nfs/dbraw/zinc/24/29/35/275242935.db2.gz ABGGVAVUAZTEBF-BBRMVZONSA-N 2 2 345.516 3.468 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Br ZINC000277036127 275254086 /nfs/dbraw/zinc/25/40/86/275254086.db2.gz BNOFKVONLPFYAD-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Br ZINC000277036127 275254087 /nfs/dbraw/zinc/25/40/87/275254087.db2.gz BNOFKVONLPFYAD-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP c1cc2c(s1)CC[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000278771716 275273416 /nfs/dbraw/zinc/27/34/16/275273416.db2.gz YSKAVXJJSLHMIA-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)CC[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000278771716 275273417 /nfs/dbraw/zinc/27/34/17/275273417.db2.gz YSKAVXJJSLHMIA-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)CC[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000278771716 275273418 /nfs/dbraw/zinc/27/34/18/275273418.db2.gz YSKAVXJJSLHMIA-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)CC[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000278771716 275273419 /nfs/dbraw/zinc/27/34/19/275273419.db2.gz YSKAVXJJSLHMIA-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278937451 275289250 /nfs/dbraw/zinc/28/92/50/275289250.db2.gz LSZXKARAKGMHJF-VAMGGRTRSA-N 2 2 338.499 3.201 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278937451 275289252 /nfs/dbraw/zinc/28/92/52/275289252.db2.gz LSZXKARAKGMHJF-VAMGGRTRSA-N 2 2 338.499 3.201 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000279558703 275339837 /nfs/dbraw/zinc/33/98/37/275339837.db2.gz TVZUDHSGTTUCCR-UHFFFAOYSA-N 2 2 341.503 3.032 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000279558703 275339839 /nfs/dbraw/zinc/33/98/39/275339839.db2.gz TVZUDHSGTTUCCR-UHFFFAOYSA-N 2 2 341.503 3.032 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1C ZINC000280057138 275398709 /nfs/dbraw/zinc/39/87/09/275398709.db2.gz WNISONUWOSGFMD-JLJPHGGASA-N 2 2 345.418 3.079 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cn1 ZINC000280953214 275509152 /nfs/dbraw/zinc/50/91/52/275509152.db2.gz IYHIFGWNHRDZTA-IBGZPJMESA-N 2 2 334.423 3.449 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cn1 ZINC000280953216 275509184 /nfs/dbraw/zinc/50/91/84/275509184.db2.gz IYHIFGWNHRDZTA-LJQANCHMSA-N 2 2 334.423 3.449 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000122320747 275523213 /nfs/dbraw/zinc/52/32/13/275523213.db2.gz IMTDUECENJJTIX-CVEARBPZSA-N 2 2 348.491 3.309 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000283571609 275734780 /nfs/dbraw/zinc/73/47/80/275734780.db2.gz VSTPJWQQAXVIEQ-MDZDMXLPSA-N 2 2 338.455 3.115 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cn1 ZINC000283874289 275757751 /nfs/dbraw/zinc/75/77/51/275757751.db2.gz BZFOTSBVLXNMMA-GOSISDBHSA-N 2 2 334.423 3.449 20 0 EGADLP CCc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000287730902 276151589 /nfs/dbraw/zinc/15/15/89/276151589.db2.gz YKZZWHYIHGFGIO-KRWDZBQOSA-N 2 2 344.421 3.289 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(-n2ccnn2)c1 ZINC000287753812 276154212 /nfs/dbraw/zinc/15/42/12/276154212.db2.gz QLILSNGEJIDGHP-MRXNPFEDSA-N 2 2 336.443 3.205 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000287775217 276155941 /nfs/dbraw/zinc/15/59/41/276155941.db2.gz RUOJAIDGSYAFBE-SIXLDLHFSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000287775217 276155942 /nfs/dbraw/zinc/15/59/42/276155942.db2.gz RUOJAIDGSYAFBE-SIXLDLHFSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287929425 276169965 /nfs/dbraw/zinc/16/99/65/276169965.db2.gz WQHYEGNRHBTYEK-JLSDUUJJSA-N 2 2 333.863 3.023 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287929425 276169967 /nfs/dbraw/zinc/16/99/67/276169967.db2.gz WQHYEGNRHBTYEK-JLSDUUJJSA-N 2 2 333.863 3.023 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288731832 276246290 /nfs/dbraw/zinc/24/62/90/276246290.db2.gz FQYRQVYFFMGWAY-WMZOPIPTSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288731832 276246291 /nfs/dbraw/zinc/24/62/91/276246291.db2.gz FQYRQVYFFMGWAY-WMZOPIPTSA-N 2 2 338.455 3.483 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186904 276252150 /nfs/dbraw/zinc/25/21/50/276252150.db2.gz FXZMVWHZXQHYOL-GHTZIAJQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186904 276252152 /nfs/dbraw/zinc/25/21/52/276252152.db2.gz FXZMVWHZXQHYOL-GHTZIAJQSA-N 3 2 329.532 3.348 20 0 EGADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1nnc2n1CCCCC2 ZINC000289072309 276287169 /nfs/dbraw/zinc/28/71/69/276287169.db2.gz CPFULYDYDHVCRG-KRWDZBQOSA-N 2 2 327.476 3.381 20 0 EGADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391758 276332004 /nfs/dbraw/zinc/33/20/04/276332004.db2.gz NOLYEFXASUPLGF-QRQLOZEOSA-N 2 2 341.503 3.012 20 0 EGADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391758 276332005 /nfs/dbraw/zinc/33/20/05/276332005.db2.gz NOLYEFXASUPLGF-QRQLOZEOSA-N 2 2 341.503 3.012 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289476365 276344818 /nfs/dbraw/zinc/34/48/18/276344818.db2.gz ZMNRAUCZAAWFLK-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000289476365 276344819 /nfs/dbraw/zinc/34/48/19/276344819.db2.gz ZMNRAUCZAAWFLK-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nncn1C ZINC000289537504 276354726 /nfs/dbraw/zinc/35/47/26/276354726.db2.gz QGZCOZFGSXVBHK-UHOSZYNNSA-N 2 2 341.503 3.155 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nncn1C ZINC000289537504 276354727 /nfs/dbraw/zinc/35/47/27/276354727.db2.gz QGZCOZFGSXVBHK-UHOSZYNNSA-N 2 2 341.503 3.155 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@]3(C)OCCc4sccc43)n2c1 ZINC000289760663 276389642 /nfs/dbraw/zinc/38/96/42/276389642.db2.gz IXKVSZMIVQBVSV-GOSISDBHSA-N 2 2 327.453 3.282 20 0 EGADLP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000289808324 276398428 /nfs/dbraw/zinc/39/84/28/276398428.db2.gz NHRWHBQHHXZPJR-CQSZACIVSA-N 2 2 343.393 3.171 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621421 278307019 /nfs/dbraw/zinc/30/70/19/278307019.db2.gz HGMLGTJHQQOYTO-CABCVRRESA-N 2 2 342.405 3.421 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621421 278307023 /nfs/dbraw/zinc/30/70/23/278307023.db2.gz HGMLGTJHQQOYTO-CABCVRRESA-N 2 2 342.405 3.421 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1N(C)C ZINC000179402229 278336307 /nfs/dbraw/zinc/33/63/07/278336307.db2.gz OUXBUWZHZQRUCT-QGZVFWFLSA-N 2 2 338.499 3.463 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000192868152 279164725 /nfs/dbraw/zinc/16/47/25/279164725.db2.gz PZWWGBKRIMLEKB-LJQANCHMSA-N 2 2 332.488 3.345 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246211410 279236324 /nfs/dbraw/zinc/23/63/24/279236324.db2.gz XXIUSZVGSALANB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246211410 279236326 /nfs/dbraw/zinc/23/63/26/279236326.db2.gz XXIUSZVGSALANB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246211410 279236327 /nfs/dbraw/zinc/23/63/27/279236327.db2.gz XXIUSZVGSALANB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246211410 279236328 /nfs/dbraw/zinc/23/63/28/279236328.db2.gz XXIUSZVGSALANB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186320619 289938999 /nfs/dbraw/zinc/93/89/99/289938999.db2.gz OCXBXWGLQIHXIS-YOEHRIQHSA-N 2 2 343.437 3.294 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578343 298016205 /nfs/dbraw/zinc/01/62/05/298016205.db2.gz OOSXBCZLHAGCEA-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578343 298016207 /nfs/dbraw/zinc/01/62/07/298016207.db2.gz OOSXBCZLHAGCEA-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356578343 298016209 /nfs/dbraw/zinc/01/62/09/298016209.db2.gz OOSXBCZLHAGCEA-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356578343 298016211 /nfs/dbraw/zinc/01/62/11/298016211.db2.gz OOSXBCZLHAGCEA-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000088693634 307447492 /nfs/dbraw/zinc/44/74/92/307447492.db2.gz GNACAYLTXLTQHG-HOTGVXAUSA-N 2 2 330.394 3.467 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC000116397249 307483696 /nfs/dbraw/zinc/48/36/96/307483696.db2.gz WIORSWBSRJEBBS-PBHICJAKSA-N 2 2 337.483 3.417 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000414103064 309060983 /nfs/dbraw/zinc/06/09/83/309060983.db2.gz NFSLGQJFVUOHKF-DLBZAZTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000414103064 309060984 /nfs/dbraw/zinc/06/09/84/309060984.db2.gz NFSLGQJFVUOHKF-DLBZAZTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000414286626 309070751 /nfs/dbraw/zinc/07/07/51/309070751.db2.gz JKPHVGWEQLSWIQ-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP CC(C)c1cccc2c1OCC[C@H]2[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000166658658 307930999 /nfs/dbraw/zinc/93/09/99/307930999.db2.gz KXAWLEHGLLOOHS-VQIMIIECSA-N 2 2 332.488 3.192 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608072 308006925 /nfs/dbraw/zinc/00/69/25/308006925.db2.gz GRDAGRYEHNFLKA-DNVCBOLYSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608072 308006927 /nfs/dbraw/zinc/00/69/27/308006927.db2.gz GRDAGRYEHNFLKA-DNVCBOLYSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608072 308006929 /nfs/dbraw/zinc/00/69/29/308006929.db2.gz GRDAGRYEHNFLKA-DNVCBOLYSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@H]21 ZINC000248608072 308006931 /nfs/dbraw/zinc/00/69/31/308006931.db2.gz GRDAGRYEHNFLKA-DNVCBOLYSA-N 2 2 344.890 3.442 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416167 309078812 /nfs/dbraw/zinc/07/88/12/309078812.db2.gz VXADZRMHGMDMKS-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416167 309078813 /nfs/dbraw/zinc/07/88/13/309078813.db2.gz VXADZRMHGMDMKS-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416167 309078814 /nfs/dbraw/zinc/07/88/14/309078814.db2.gz VXADZRMHGMDMKS-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414416167 309078815 /nfs/dbraw/zinc/07/88/15/309078815.db2.gz VXADZRMHGMDMKS-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000252643759 308032509 /nfs/dbraw/zinc/03/25/09/308032509.db2.gz GHQZVPCYRHCSKA-ICSRJNTNSA-N 2 2 332.488 3.019 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000252643759 308032510 /nfs/dbraw/zinc/03/25/10/308032510.db2.gz GHQZVPCYRHCSKA-ICSRJNTNSA-N 2 2 332.488 3.019 20 0 EGADLP CCc1ncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000414446343 309080733 /nfs/dbraw/zinc/08/07/33/309080733.db2.gz YIRKCXQIGYLKCH-NRFANRHFSA-N 2 2 336.483 3.137 20 0 EGADLP CCc1ncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000414446343 309080734 /nfs/dbraw/zinc/08/07/34/309080734.db2.gz YIRKCXQIGYLKCH-NRFANRHFSA-N 2 2 336.483 3.137 20 0 EGADLP CCc1ncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446343 309080735 /nfs/dbraw/zinc/08/07/35/309080735.db2.gz YIRKCXQIGYLKCH-NRFANRHFSA-N 2 2 336.483 3.137 20 0 EGADLP CCc1ncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446343 309080736 /nfs/dbraw/zinc/08/07/36/309080736.db2.gz YIRKCXQIGYLKCH-NRFANRHFSA-N 2 2 336.483 3.137 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292997962 308088505 /nfs/dbraw/zinc/08/85/05/308088505.db2.gz OPCXNDYAGYLGFK-BEFAXECRSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292997962 308088506 /nfs/dbraw/zinc/08/85/06/308088506.db2.gz OPCXNDYAGYLGFK-BEFAXECRSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292997962 308088508 /nfs/dbraw/zinc/08/85/08/308088508.db2.gz OPCXNDYAGYLGFK-BEFAXECRSA-N 2 2 326.444 3.215 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@H]1CCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000296113986 308395148 /nfs/dbraw/zinc/39/51/48/308395148.db2.gz UZNJEXXHQCBFME-ZWKOTPCHSA-N 2 2 328.460 3.009 20 0 EGADLP CC(=O)NC1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000296140578 308397878 /nfs/dbraw/zinc/39/78/78/308397878.db2.gz VFAIOJNTENNTBN-UHFFFAOYSA-N 2 2 346.862 3.063 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414655142 309093878 /nfs/dbraw/zinc/09/38/78/309093878.db2.gz GRMHNRMAYPIZHG-AWEZNQCLSA-N 2 2 326.469 3.380 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000414655142 309093879 /nfs/dbraw/zinc/09/38/79/309093879.db2.gz GRMHNRMAYPIZHG-AWEZNQCLSA-N 2 2 326.469 3.380 20 0 EGADLP CCOc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414659512 309094258 /nfs/dbraw/zinc/09/42/58/309094258.db2.gz NELBOMMBVLIIGZ-MRXNPFEDSA-N 2 2 328.456 3.443 20 0 EGADLP CCOc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414659512 309094259 /nfs/dbraw/zinc/09/42/59/309094259.db2.gz NELBOMMBVLIIGZ-MRXNPFEDSA-N 2 2 328.456 3.443 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(Br)c1F)Cn1cc[nH+]c1 ZINC000296593170 308445022 /nfs/dbraw/zinc/44/50/22/308445022.db2.gz XUDYULDQDWBGEG-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757317 309099130 /nfs/dbraw/zinc/09/91/30/309099130.db2.gz APAFNPZUUUBMFH-FMKPAKJESA-N 2 2 331.485 3.058 20 0 EGADLP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757317 309099131 /nfs/dbraw/zinc/09/91/31/309099131.db2.gz APAFNPZUUUBMFH-FMKPAKJESA-N 2 2 331.485 3.058 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000414766260 309099459 /nfs/dbraw/zinc/09/94/59/309099459.db2.gz HJPDVFNWXITNNJ-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000414766260 309099460 /nfs/dbraw/zinc/09/94/60/309099460.db2.gz HJPDVFNWXITNNJ-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C)c1OCc1ccccn1 ZINC000414781777 309100663 /nfs/dbraw/zinc/10/06/63/309100663.db2.gz CVPRXRLFPALECG-QUCCMNQESA-N 2 2 337.467 3.071 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C)c1OCc1ccccn1 ZINC000414781777 309100664 /nfs/dbraw/zinc/10/06/64/309100664.db2.gz CVPRXRLFPALECG-QUCCMNQESA-N 2 2 337.467 3.071 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2F)CC12CCOCC2 ZINC000414788154 309101255 /nfs/dbraw/zinc/10/12/55/309101255.db2.gz WIEOWFRWBGUFAP-AWEZNQCLSA-N 2 2 346.368 3.032 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2F)CC12CCOCC2 ZINC000414788154 309101256 /nfs/dbraw/zinc/10/12/56/309101256.db2.gz WIEOWFRWBGUFAP-AWEZNQCLSA-N 2 2 346.368 3.032 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414789186 309101552 /nfs/dbraw/zinc/10/15/52/309101552.db2.gz XVRFFFDQBCVDJM-CQSZACIVSA-N 2 2 346.368 3.032 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414789186 309101553 /nfs/dbraw/zinc/10/15/53/309101553.db2.gz XVRFFFDQBCVDJM-CQSZACIVSA-N 2 2 346.368 3.032 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414801093 309102402 /nfs/dbraw/zinc/10/24/02/309102402.db2.gz TUOGVIURFORQDL-QGZVFWFLSA-N 2 2 333.863 3.387 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298470156 308617282 /nfs/dbraw/zinc/61/72/82/308617282.db2.gz REQQOFIWURBETG-ZDUSSCGKSA-N 2 2 342.487 3.463 20 0 EGADLP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301067089 308686970 /nfs/dbraw/zinc/68/69/70/308686970.db2.gz DIGDSTFMAMYSBU-GOSISDBHSA-N 2 2 340.471 3.394 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414838251 309104861 /nfs/dbraw/zinc/10/48/61/309104861.db2.gz LCXMMFLEPWDNQO-INIZCTEOSA-N 3 2 335.923 3.284 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414838657 309104915 /nfs/dbraw/zinc/10/49/15/309104915.db2.gz XCMBCIBNBQMJRO-OAHLLOKOSA-N 2 2 331.485 3.120 20 0 EGADLP FC(F)(F)c1cc(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414842629 309104993 /nfs/dbraw/zinc/10/49/93/309104993.db2.gz IWDSURXIYSIGJX-GFCCVEGCSA-N 2 2 337.183 3.310 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1Br ZINC000400340087 308907097 /nfs/dbraw/zinc/90/70/97/308907097.db2.gz HCDVFZLZCLTKFT-MISXGVKJSA-N 2 2 327.266 3.249 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139786 309017972 /nfs/dbraw/zinc/01/79/72/309017972.db2.gz KTURUSVNMPSOBP-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139786 309017973 /nfs/dbraw/zinc/01/79/73/309017973.db2.gz KTURUSVNMPSOBP-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139786 309017974 /nfs/dbraw/zinc/01/79/74/309017974.db2.gz KTURUSVNMPSOBP-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139786 309017975 /nfs/dbraw/zinc/01/79/75/309017975.db2.gz KTURUSVNMPSOBP-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414866981 309106311 /nfs/dbraw/zinc/10/63/11/309106311.db2.gz FUBTZANLJRFXPJ-JQWIXIFHSA-N 2 2 342.283 3.010 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414864942 309106322 /nfs/dbraw/zinc/10/63/22/309106322.db2.gz DLJNOBBCAPLOSP-UHFFFAOYSA-N 2 2 337.208 3.140 20 0 EGADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414867627 309106385 /nfs/dbraw/zinc/10/63/85/309106385.db2.gz GUADULQQRRDFSA-LRDDRELGSA-N 2 2 349.272 3.321 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc3cccnc32)cc1 ZINC000414892126 309107797 /nfs/dbraw/zinc/10/77/97/309107797.db2.gz WKHQBVMJTSISAN-RTWAWAEBSA-N 2 2 347.462 3.479 20 0 EGADLP C[C@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414925066 309109658 /nfs/dbraw/zinc/10/96/58/309109658.db2.gz HPBBYUYVGIJUAH-CQSZACIVSA-N 2 2 326.469 3.097 20 0 EGADLP COc1sc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000414925990 309109667 /nfs/dbraw/zinc/10/96/67/309109667.db2.gz JNPHOKVXDUPRRG-GFCCVEGCSA-N 2 2 347.322 3.387 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccccc2OCc2ccccc2)CCC[NH2+]1 ZINC000414937537 309110097 /nfs/dbraw/zinc/11/00/97/309110097.db2.gz DAXLBVFOTZYBNQ-OAQYLSRUSA-N 2 2 340.467 3.124 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414944795 309110587 /nfs/dbraw/zinc/11/05/87/309110587.db2.gz QKTPHCCQEPQOFR-PPSBMQLTSA-N 2 2 326.440 3.161 20 0 EGADLP COc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414946455 309110713 /nfs/dbraw/zinc/11/07/13/309110713.db2.gz JOSQWOCRLDBZSQ-IUODEOHRSA-N 2 2 338.423 3.270 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCC[NH2+]1 ZINC000414945610 309110762 /nfs/dbraw/zinc/11/07/62/309110762.db2.gz QSHLZJKHIAWOBS-SFHVURJKSA-N 2 2 334.460 3.412 20 0 EGADLP COCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414961310 309111667 /nfs/dbraw/zinc/11/16/67/309111667.db2.gz YSNGWHQHHBOPPE-YLJYHZDGSA-N 2 2 346.421 3.347 20 0 EGADLP CC(C)(C)[NH2+]CC[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000415089021 309119562 /nfs/dbraw/zinc/11/95/62/309119562.db2.gz XBGKIWPZNHDFBD-UHFFFAOYSA-N 2 2 339.789 3.110 20 0 EGADLP FC(F)(F)c1cccc(C[NH+]2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415096326 309120085 /nfs/dbraw/zinc/12/00/85/309120085.db2.gz BCYGLADNHCSAQD-QGZVFWFLSA-N 2 2 341.421 3.011 20 0 EGADLP FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000415096326 309120086 /nfs/dbraw/zinc/12/00/86/309120086.db2.gz BCYGLADNHCSAQD-QGZVFWFLSA-N 2 2 341.421 3.011 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000415132337 309122759 /nfs/dbraw/zinc/12/27/59/309122759.db2.gz KYLLLOGWEOFDCO-GGPKGHCWSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]1CC([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@H](C)C1 ZINC000415134508 309123128 /nfs/dbraw/zinc/12/31/28/309123128.db2.gz OQKHMNJDEPPSJV-QZTJIDSGSA-N 3 2 329.532 3.394 20 0 EGADLP C[NH2+]CC1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000415187868 309125359 /nfs/dbraw/zinc/12/53/59/309125359.db2.gz PYFBMQJFKKEXKU-UHFFFAOYSA-N 2 2 340.427 3.337 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ccccc1C[NH2+]C ZINC000415925907 309149097 /nfs/dbraw/zinc/14/90/97/309149097.db2.gz UUNZBRQCIVAPLK-KRWDZBQOSA-N 2 2 341.459 3.382 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420309267 309280987 /nfs/dbraw/zinc/28/09/87/309280987.db2.gz DVEOXGGAAOEXQI-CTNGQTDRSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420309267 309280988 /nfs/dbraw/zinc/28/09/88/309280988.db2.gz DVEOXGGAAOEXQI-CTNGQTDRSA-N 2 2 337.467 3.346 20 0 EGADLP CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000420321663 309282222 /nfs/dbraw/zinc/28/22/22/309282222.db2.gz RKSHIXNIZQRRDZ-GOSISDBHSA-N 3 2 330.520 3.010 20 0 EGADLP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000420321663 309282223 /nfs/dbraw/zinc/28/22/23/309282223.db2.gz RKSHIXNIZQRRDZ-GOSISDBHSA-N 3 2 330.520 3.010 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327855 309282690 /nfs/dbraw/zinc/28/26/90/309282690.db2.gz ZGZZVDCFKCVPDY-CLCXKQKWSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327855 309282691 /nfs/dbraw/zinc/28/26/91/309282691.db2.gz ZGZZVDCFKCVPDY-CLCXKQKWSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000420353818 309283560 /nfs/dbraw/zinc/28/35/60/309283560.db2.gz AUFRWSPKWQOAAN-USXUVBGUSA-N 2 2 344.286 3.297 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1 ZINC000420352450 309283575 /nfs/dbraw/zinc/28/35/75/309283575.db2.gz APIZWXLFNQGEPK-CQSZACIVSA-N 2 2 344.286 3.429 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)cc1OC ZINC000420353844 309283583 /nfs/dbraw/zinc/28/35/83/309283583.db2.gz CDUXDCXJJHKZCI-MRXNPFEDSA-N 2 2 349.500 3.290 20 0 EGADLP Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c2)cs1 ZINC000420355427 309283786 /nfs/dbraw/zinc/28/37/86/309283786.db2.gz FAUFIHDFTRCACJ-MRXNPFEDSA-N 2 2 346.500 3.020 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000420365940 309284382 /nfs/dbraw/zinc/28/43/82/309284382.db2.gz TVUNARZXCADVIK-OAHLLOKOSA-N 2 2 344.286 3.429 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000420369231 309284564 /nfs/dbraw/zinc/28/45/64/309284564.db2.gz UTZPBTMHTCOETQ-IEBWSBKVSA-N 2 2 349.494 3.136 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1F ZINC000420386899 309285744 /nfs/dbraw/zinc/28/57/44/309285744.db2.gz JPTAUCDLKRJNOB-PZJWPPBQSA-N 2 2 342.458 3.202 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCOCCc2ccccc2)C[C@H]1c1ccccc1F ZINC000420386899 309285745 /nfs/dbraw/zinc/28/57/45/309285745.db2.gz JPTAUCDLKRJNOB-PZJWPPBQSA-N 2 2 342.458 3.202 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392064 309286006 /nfs/dbraw/zinc/28/60/06/309286006.db2.gz IXAYCRZGYVXDNH-XLIONFOSSA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392064 309286007 /nfs/dbraw/zinc/28/60/07/309286007.db2.gz IXAYCRZGYVXDNH-XLIONFOSSA-N 2 2 337.467 3.242 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397133 309286348 /nfs/dbraw/zinc/28/63/48/309286348.db2.gz MOHREDNNIDIHLY-RHSMWYFYSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397133 309286349 /nfs/dbraw/zinc/28/63/49/309286349.db2.gz MOHREDNNIDIHLY-RHSMWYFYSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1cc(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420767579 309293838 /nfs/dbraw/zinc/29/38/38/309293838.db2.gz UUVZSPKQKNXLGR-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP Cc1cc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420767579 309293839 /nfs/dbraw/zinc/29/38/39/309293839.db2.gz UUVZSPKQKNXLGR-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1F ZINC000420905330 309300280 /nfs/dbraw/zinc/30/02/80/309300280.db2.gz RAYDNSDYJBFGMI-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)cc1F ZINC000420905330 309300281 /nfs/dbraw/zinc/30/02/81/309300281.db2.gz RAYDNSDYJBFGMI-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc(C[NH+]2CCOCC2)c1 ZINC000420950426 309303498 /nfs/dbraw/zinc/30/34/98/309303498.db2.gz RBUWYVZHMVCDSM-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP c1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc(C[NH+]2CCOCC2)c1 ZINC000420950426 309303499 /nfs/dbraw/zinc/30/34/99/309303499.db2.gz RBUWYVZHMVCDSM-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP Cc1cc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cc(C)n1 ZINC000421372951 309321279 /nfs/dbraw/zinc/32/12/79/309321279.db2.gz GGKHQEBWGSVDBX-UHFFFAOYSA-N 2 2 330.501 3.211 20 0 EGADLP Cc1cc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc(C)n1 ZINC000421372951 309321280 /nfs/dbraw/zinc/32/12/80/309321280.db2.gz GGKHQEBWGSVDBX-UHFFFAOYSA-N 2 2 330.501 3.211 20 0 EGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000421829055 309341967 /nfs/dbraw/zinc/34/19/67/309341967.db2.gz GQFWNWIFRXNIGU-GDBMZVCRSA-N 2 2 340.895 3.092 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2(OC)CCCCC2)CC1 ZINC000421830456 309342079 /nfs/dbraw/zinc/34/20/79/309342079.db2.gz JWSYXVSIEBHHAV-INIZCTEOSA-N 2 2 326.525 3.203 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccco1 ZINC000422200796 309357802 /nfs/dbraw/zinc/35/78/02/309357802.db2.gz KDXWAPAOAPRGPW-SUMWQHHRSA-N 2 2 344.459 3.220 20 0 EGADLP [NH3+][C@@H]1CCCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)C1 ZINC000422685041 309363380 /nfs/dbraw/zinc/36/33/80/309363380.db2.gz GBSSVNMYWUSJIQ-MRXNPFEDSA-N 2 2 340.471 3.034 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422714824 309364307 /nfs/dbraw/zinc/36/43/07/309364307.db2.gz ROCWZCVLRYSQSN-HNAYVOBHSA-N 2 2 329.488 3.436 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422714826 309364459 /nfs/dbraw/zinc/36/44/59/309364459.db2.gz ROCWZCVLRYSQSN-KXBFYZLASA-N 2 2 329.488 3.436 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000422727924 309365371 /nfs/dbraw/zinc/36/53/71/309365371.db2.gz DTUXKKXYQNJZKB-YHYVQYDKSA-N 2 2 339.527 3.400 20 0 EGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000422737796 309366020 /nfs/dbraw/zinc/36/60/20/309366020.db2.gz ILVDCVDPIXLUIG-GLXFQSAKSA-N 2 2 327.291 3.184 20 0 EGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422788255 309368352 /nfs/dbraw/zinc/36/83/52/309368352.db2.gz QWDXJINGQZZVNW-KXBFYZLASA-N 3 2 335.923 3.282 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)oc21 ZINC000422790367 309368453 /nfs/dbraw/zinc/36/84/53/309368453.db2.gz TYCIRVRSFCTGDM-DZKIICNBSA-N 2 2 332.444 3.249 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)s2)cc1 ZINC000422822460 309370289 /nfs/dbraw/zinc/37/02/89/309370289.db2.gz KCICYKVIJNDXBM-ZBFHGGJFSA-N 2 2 346.496 3.280 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422879172 309373622 /nfs/dbraw/zinc/37/36/22/309373622.db2.gz UWRFQUWNOGMALH-GXTWGEPZSA-N 2 2 328.403 3.307 20 0 EGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000422889888 309374417 /nfs/dbraw/zinc/37/44/17/309374417.db2.gz QQXTXDWBAIGJQL-IUODEOHRSA-N 2 2 328.403 3.307 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422889033 309374443 /nfs/dbraw/zinc/37/44/43/309374443.db2.gz OPOHPTPLLSYXCC-LSBZLQRGSA-N 2 2 345.874 3.181 20 0 EGADLP Cc1nc([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422890172 309374476 /nfs/dbraw/zinc/37/44/76/309374476.db2.gz RNCAZWCFKHEXCD-WBHUJUFNSA-N 2 2 329.469 3.358 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000422901650 309375187 /nfs/dbraw/zinc/37/51/87/309375187.db2.gz LJRPDDGAYUYMBY-NZSAHSFTSA-N 3 2 342.462 3.330 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000422903915 309375424 /nfs/dbraw/zinc/37/54/24/309375424.db2.gz PLIDGNQSHMBQRH-KXBFYZLASA-N 3 2 338.430 3.060 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422905494 309375527 /nfs/dbraw/zinc/37/55/27/309375527.db2.gz ZDVDVOKBOMFOSV-FDFHNCONSA-N 3 2 341.543 3.470 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422923027 309376333 /nfs/dbraw/zinc/37/63/33/309376333.db2.gz UYOJABPJTIESAR-OLZOCXBDSA-N 2 2 328.859 3.113 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(Cn2cnc3ccccc32)c1)[C@H]1CCC[NH2+]1 ZINC000422947769 309377485 /nfs/dbraw/zinc/37/74/85/309377485.db2.gz YVMXENWCIWIUJJ-QFBILLFUSA-N 2 2 334.467 3.315 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422962869 309378584 /nfs/dbraw/zinc/37/85/84/309378584.db2.gz GVTMWXNJEIOAJO-IHPCNDPISA-N 2 2 341.499 3.355 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422962869 309378585 /nfs/dbraw/zinc/37/85/85/309378585.db2.gz GVTMWXNJEIOAJO-IHPCNDPISA-N 2 2 341.499 3.355 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423017707 309381169 /nfs/dbraw/zinc/38/11/69/309381169.db2.gz PKLGTCOOBSILDW-MPTQWLOMSA-N 2 2 341.293 3.255 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c(-c2ccccc2)s1 ZINC000423097613 309385805 /nfs/dbraw/zinc/38/58/05/309385805.db2.gz JMSPKOMORGEZQA-ZFWWWQNUSA-N 2 2 331.485 3.044 20 0 EGADLP Fc1cc(F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000423134342 309387643 /nfs/dbraw/zinc/38/76/43/309387643.db2.gz LZMSNEAKYJWZOL-IEBWSBKVSA-N 2 2 348.368 3.449 20 0 EGADLP CC(C)CCn1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000423157183 309388768 /nfs/dbraw/zinc/38/87/68/309388768.db2.gz UUAOSQOBOAPGCF-SJPCQFCGSA-N 2 2 326.488 3.455 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423218344 309391072 /nfs/dbraw/zinc/39/10/72/309391072.db2.gz RRJHUTHNDIOHFZ-GARJFASQSA-N 2 2 330.245 3.022 20 0 EGADLP FC(F)[C@@H](CCc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230415 309391416 /nfs/dbraw/zinc/39/14/16/309391416.db2.gz JFAYQFDJTICINT-QGZVFWFLSA-N 2 2 346.425 3.170 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423277492 309393880 /nfs/dbraw/zinc/39/38/80/309393880.db2.gz OFYAYOARAREOEF-STQMWFEESA-N 2 2 327.291 3.313 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423300612 309394523 /nfs/dbraw/zinc/39/45/23/309394523.db2.gz SAUXCFGSCDGXDK-XRXFAXGQSA-N 3 2 329.532 3.394 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423300612 309394524 /nfs/dbraw/zinc/39/45/24/309394524.db2.gz SAUXCFGSCDGXDK-XRXFAXGQSA-N 3 2 329.532 3.394 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423327242 309395380 /nfs/dbraw/zinc/39/53/80/309395380.db2.gz JWTBUPUBMLVJPO-CVEARBPZSA-N 2 2 330.394 3.167 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000423363171 309396929 /nfs/dbraw/zinc/39/69/29/309396929.db2.gz NOYBVGCPIXFDJC-NWDGAFQWSA-N 2 2 327.266 3.250 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423378916 309397748 /nfs/dbraw/zinc/39/77/48/309397748.db2.gz LHLAVGKJVPXBQZ-CABCVRRESA-N 2 2 338.517 3.052 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CCC[NH2+]1 ZINC000423413222 309399164 /nfs/dbraw/zinc/39/91/64/309399164.db2.gz JULPRMNMIJJFGS-AEFFLSMTSA-N 2 2 338.879 3.220 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423417917 309399479 /nfs/dbraw/zinc/39/94/79/309399479.db2.gz HLYUUGNHRJLWLY-HRAATJIYSA-N 2 2 340.467 3.249 20 0 EGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423427070 309399841 /nfs/dbraw/zinc/39/98/41/309399841.db2.gz FQKSXZQNHPTMIJ-MBPVOVBZSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423427070 309399842 /nfs/dbraw/zinc/39/98/42/309399842.db2.gz FQKSXZQNHPTMIJ-MBPVOVBZSA-N 3 2 327.516 3.017 20 0 EGADLP CC(C)Cn1cc[nH+]c1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424149909 309430916 /nfs/dbraw/zinc/43/09/16/309430916.db2.gz XUUUZWTUDSPRGW-QGZVFWFLSA-N 2 2 334.508 3.233 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(Br)c1 ZINC000424380644 309441228 /nfs/dbraw/zinc/44/12/28/309441228.db2.gz XHPWEJWQKXQPAS-VCTAVGKDSA-N 2 2 327.266 3.378 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432234491 309655465 /nfs/dbraw/zinc/65/54/65/309655465.db2.gz WFWOQVDQAXJNAN-LLVKDONJSA-N 2 2 335.250 3.333 20 0 EGADLP CC(=O)Nc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)sc2C)cc1 ZINC000434661493 309716678 /nfs/dbraw/zinc/71/66/78/309716678.db2.gz IQGNENXFQBHBNO-UHFFFAOYSA-N 2 2 344.484 3.000 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000443201691 309896949 /nfs/dbraw/zinc/89/69/49/309896949.db2.gz IQKHWNJTLGYNJO-SQGPQFPESA-N 2 2 333.520 3.223 20 0 EGADLP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443506706 309902243 /nfs/dbraw/zinc/90/22/43/309902243.db2.gz CTWGOGLQLHVKTF-SNVBAGLBSA-N 2 2 340.240 3.310 20 0 EGADLP Fc1ccc(-n2c[nH+]c3c2CCN(CCC[NH+]2CCCCC2)C3)cc1 ZINC000444612118 309922755 /nfs/dbraw/zinc/92/27/55/309922755.db2.gz SRIJHDRLQKTFDN-UHFFFAOYSA-N 2 2 342.462 3.246 20 0 EGADLP c1c[nH]c([C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc2)n1 ZINC000446825284 309968605 /nfs/dbraw/zinc/96/86/05/309968605.db2.gz YQCVXARMMULCDK-IBGZPJMESA-N 2 2 329.407 3.475 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046915 310033001 /nfs/dbraw/zinc/03/30/01/310033001.db2.gz MLQJXYWHQFRRCU-VQIMIIECSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046915 310033002 /nfs/dbraw/zinc/03/30/02/310033002.db2.gz MLQJXYWHQFRRCU-VQIMIIECSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046915 310033003 /nfs/dbraw/zinc/03/30/03/310033003.db2.gz MLQJXYWHQFRRCU-VQIMIIECSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046915 310033004 /nfs/dbraw/zinc/03/30/04/310033004.db2.gz MLQJXYWHQFRRCU-VQIMIIECSA-N 2 2 342.462 3.142 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449059552 310033784 /nfs/dbraw/zinc/03/37/84/310033784.db2.gz QEJGJKOYQOBPKF-LYBXBRPPSA-N 2 2 338.536 3.203 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)C1 ZINC000449059552 310033785 /nfs/dbraw/zinc/03/37/85/310033785.db2.gz QEJGJKOYQOBPKF-LYBXBRPPSA-N 2 2 338.536 3.203 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cs1 ZINC000449261995 310048312 /nfs/dbraw/zinc/04/83/12/310048312.db2.gz GJHAATPOFDCROF-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cs1 ZINC000449261995 310048313 /nfs/dbraw/zinc/04/83/13/310048313.db2.gz GJHAATPOFDCROF-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000449261995 310048314 /nfs/dbraw/zinc/04/83/14/310048314.db2.gz GJHAATPOFDCROF-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000449261995 310048315 /nfs/dbraw/zinc/04/83/15/310048315.db2.gz GJHAATPOFDCROF-IBGZPJMESA-N 2 2 330.497 3.125 20 0 EGADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449262622 310048491 /nfs/dbraw/zinc/04/84/91/310048491.db2.gz HYFBPQURVPBMSH-OKZBNKHCSA-N 2 2 348.510 3.425 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385151 310058004 /nfs/dbraw/zinc/05/80/04/310058004.db2.gz DXVKXOUHHYOPNL-SLTXQBBLSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385151 310058005 /nfs/dbraw/zinc/05/80/05/310058005.db2.gz DXVKXOUHHYOPNL-SLTXQBBLSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385442 310058068 /nfs/dbraw/zinc/05/80/68/310058068.db2.gz FNJSWTUJXZDCNN-ZQDZILKHSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385442 310058069 /nfs/dbraw/zinc/05/80/69/310058069.db2.gz FNJSWTUJXZDCNN-ZQDZILKHSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388924 310058180 /nfs/dbraw/zinc/05/81/80/310058180.db2.gz QVWVIJZCWOCDSN-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388924 310058181 /nfs/dbraw/zinc/05/81/81/310058181.db2.gz QVWVIJZCWOCDSN-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000449397597 310058711 /nfs/dbraw/zinc/05/87/11/310058711.db2.gz QWHYRGPBSCYOJJ-OTWHNJEPSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000449397597 310058712 /nfs/dbraw/zinc/05/87/12/310058712.db2.gz QWHYRGPBSCYOJJ-OTWHNJEPSA-N 2 2 336.907 3.413 20 0 EGADLP CCO[C@@H]1CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@H]1C ZINC000449496713 310066831 /nfs/dbraw/zinc/06/68/31/310066831.db2.gz JHBCZIKASCGWJY-GDBMZVCRSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@H]1C ZINC000449496713 310066832 /nfs/dbraw/zinc/06/68/32/310066832.db2.gz JHBCZIKASCGWJY-GDBMZVCRSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@@H]1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C[C@H]1C ZINC000449496713 310066833 /nfs/dbraw/zinc/06/68/33/310066833.db2.gz JHBCZIKASCGWJY-GDBMZVCRSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@@H]1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C[C@H]1C ZINC000449496713 310066834 /nfs/dbraw/zinc/06/68/34/310066834.db2.gz JHBCZIKASCGWJY-GDBMZVCRSA-N 2 2 337.533 3.157 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](CO)C(C)C ZINC000449506232 310067596 /nfs/dbraw/zinc/06/75/96/310067596.db2.gz CCFXNIYPCOPWKV-JKSUJKDBSA-N 2 2 338.458 3.282 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)n1-c1ccccc1 ZINC000449514939 310068531 /nfs/dbraw/zinc/06/85/31/310068531.db2.gz ZCNJDTNCOVTEIP-VQTJNVASSA-N 2 2 325.456 3.067 20 0 EGADLP C[C@@H](CNc1cc[nH+]c2cc(F)c(Cl)cc12)N1CC[NH+](C)CC1 ZINC000450307048 310114520 /nfs/dbraw/zinc/11/45/20/310114520.db2.gz WLAUQTIWYGLFQS-LBPRGKRZSA-N 2 2 336.842 3.075 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC000450434585 310122611 /nfs/dbraw/zinc/12/26/11/310122611.db2.gz DDZWGNRQNIFYDP-HNNXBMFYSA-N 2 2 338.879 3.433 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC000450434585 310122612 /nfs/dbraw/zinc/12/26/12/310122612.db2.gz DDZWGNRQNIFYDP-HNNXBMFYSA-N 2 2 338.879 3.433 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000450434585 310122613 /nfs/dbraw/zinc/12/26/13/310122613.db2.gz DDZWGNRQNIFYDP-HNNXBMFYSA-N 2 2 338.879 3.433 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000450434585 310122614 /nfs/dbraw/zinc/12/26/14/310122614.db2.gz DDZWGNRQNIFYDP-HNNXBMFYSA-N 2 2 338.879 3.433 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1csnn1 ZINC000450457221 310123701 /nfs/dbraw/zinc/12/37/01/310123701.db2.gz RBUAGHWMCZDHBS-AWEZNQCLSA-N 2 2 331.489 3.233 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1csnn1 ZINC000450457221 310123702 /nfs/dbraw/zinc/12/37/02/310123702.db2.gz RBUAGHWMCZDHBS-AWEZNQCLSA-N 2 2 331.489 3.233 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCOC1 ZINC000450691010 310137456 /nfs/dbraw/zinc/13/74/56/310137456.db2.gz WURJRNLZLNBAEB-UAFMIMERSA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCOC1 ZINC000450691010 310137457 /nfs/dbraw/zinc/13/74/57/310137457.db2.gz WURJRNLZLNBAEB-UAFMIMERSA-N 2 2 338.536 3.014 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211131 310218772 /nfs/dbraw/zinc/21/87/72/310218772.db2.gz YAZBPGVNKOOSPZ-INIZCTEOSA-N 2 2 348.878 3.309 20 0 EGADLP CC[C@@H](C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094455 310257559 /nfs/dbraw/zinc/25/75/59/310257559.db2.gz PRDZAVYORSNQDX-PBHICJAKSA-N 2 2 334.895 3.483 20 0 EGADLP CC[C@@H](C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094455 310257560 /nfs/dbraw/zinc/25/75/60/310257560.db2.gz PRDZAVYORSNQDX-PBHICJAKSA-N 2 2 334.895 3.483 20 0 EGADLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000453096904 310257777 /nfs/dbraw/zinc/25/77/77/310257777.db2.gz IPUQLNVAJWTTOE-DYVFJYSZSA-N 2 2 332.879 3.235 20 0 EGADLP C[C@H](CN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000453096904 310257778 /nfs/dbraw/zinc/25/77/78/310257778.db2.gz IPUQLNVAJWTTOE-DYVFJYSZSA-N 2 2 332.879 3.235 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263531 310267880 /nfs/dbraw/zinc/26/78/80/310267880.db2.gz UFVGSKAEHAXSQR-WBVHZDCISA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263531 310267881 /nfs/dbraw/zinc/26/78/81/310267881.db2.gz UFVGSKAEHAXSQR-WBVHZDCISA-N 2 2 342.430 3.176 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393585 310274612 /nfs/dbraw/zinc/27/46/12/310274612.db2.gz VHGRHTUVWVBTCG-PKOBYXMFSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393585 310274613 /nfs/dbraw/zinc/27/46/13/310274613.db2.gz VHGRHTUVWVBTCG-PKOBYXMFSA-N 2 2 345.531 3.213 20 0 EGADLP c1[nH+]c2ccccn2c1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453576478 310282724 /nfs/dbraw/zinc/28/27/24/310282724.db2.gz QBBKIEOEVXLFPP-UHFFFAOYSA-N 2 2 333.435 3.398 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH+]1 ZINC000454631885 310321185 /nfs/dbraw/zinc/32/11/85/310321185.db2.gz OKBNLTMYGFAZPD-AUUYWEPGSA-N 2 2 332.492 3.008 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccco1 ZINC000458084242 310485670 /nfs/dbraw/zinc/48/56/70/310485670.db2.gz YNCDDTTVQUVIFP-KRWDZBQOSA-N 2 2 344.459 3.174 20 0 EGADLP COCCC[NH+]1CCC(Nc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000477832052 310850106 /nfs/dbraw/zinc/85/01/06/310850106.db2.gz CILJESVSCADKMS-UHFFFAOYSA-N 2 2 348.535 3.232 20 0 EGADLP COC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000477939270 310852213 /nfs/dbraw/zinc/85/22/13/310852213.db2.gz FIGNWZHQPCZYMD-QGZVFWFLSA-N 2 2 326.431 3.364 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000480254942 310891886 /nfs/dbraw/zinc/89/18/86/310891886.db2.gz BXZIIJDKHHAVHK-KKUMJFAQSA-N 2 2 340.895 3.499 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cn2c1 ZINC000487971758 311045409 /nfs/dbraw/zinc/04/54/09/311045409.db2.gz OUDWTAXUEHATQQ-SFHVURJKSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cn2c1 ZINC000487971758 311045410 /nfs/dbraw/zinc/04/54/10/311045410.db2.gz OUDWTAXUEHATQQ-SFHVURJKSA-N 2 2 340.471 3.056 20 0 EGADLP CC(C)[C@@H]1C[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CS1 ZINC000488461079 311066978 /nfs/dbraw/zinc/06/69/78/311066978.db2.gz KSPZDCLYSZKSFW-UAGQMJEPSA-N 2 2 334.533 3.164 20 0 EGADLP CC[N@H+](CCNc1cc(N2CCCCC2)[nH+]cn1)CCC(F)(F)F ZINC000491655037 311187434 /nfs/dbraw/zinc/18/74/34/311187434.db2.gz GXKXXDSAYGLIGP-UHFFFAOYSA-N 2 2 345.413 3.153 20 0 EGADLP CC[N@@H+](CCNc1cc(N2CCCCC2)[nH+]cn1)CCC(F)(F)F ZINC000491655037 311187436 /nfs/dbraw/zinc/18/74/36/311187436.db2.gz GXKXXDSAYGLIGP-UHFFFAOYSA-N 2 2 345.413 3.153 20 0 EGADLP O=C(/C=C\SCc1ccco1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492056067 311212621 /nfs/dbraw/zinc/21/26/21/311212621.db2.gz GJOZHTZSJRHWFU-WTKPLQERSA-N 2 2 326.381 3.246 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000492315771 311236989 /nfs/dbraw/zinc/23/69/89/311236989.db2.gz CKJUXUOREVNTMS-FJVVXJACSA-N 2 2 349.438 3.288 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000492868953 311301137 /nfs/dbraw/zinc/30/11/37/311301137.db2.gz WPDZRDPFKKAMNZ-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000492868953 311301139 /nfs/dbraw/zinc/30/11/39/311301139.db2.gz WPDZRDPFKKAMNZ-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2)CC1 ZINC000492897466 311304063 /nfs/dbraw/zinc/30/40/63/311304063.db2.gz JWGILYUDQLOVKD-WAYWQWQTSA-N 2 2 338.455 3.336 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494405913 311475574 /nfs/dbraw/zinc/47/55/74/311475574.db2.gz OPZDLPSFGDOPBI-QGZVFWFLSA-N 2 2 349.482 3.471 20 0 EGADLP Cn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(-c2ccccc2Cl)n1 ZINC000494407901 311476194 /nfs/dbraw/zinc/47/61/94/311476194.db2.gz VSRYTEXWUBGEPY-AWEZNQCLSA-N 2 2 341.846 3.042 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000036804309 453931581 /nfs/dbraw/zinc/93/15/81/453931581.db2.gz HGLCMSUOYMNOSK-UHFFFAOYSA-N 2 2 341.293 3.423 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474292 312049849 /nfs/dbraw/zinc/04/98/49/312049849.db2.gz MFNWMHHLHGEZOF-WTGUMLROSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506474292 312049852 /nfs/dbraw/zinc/04/98/52/312049852.db2.gz MFNWMHHLHGEZOF-WTGUMLROSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506474292 312049856 /nfs/dbraw/zinc/04/98/56/312049856.db2.gz MFNWMHHLHGEZOF-WTGUMLROSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506474292 312049857 /nfs/dbraw/zinc/04/98/57/312049857.db2.gz MFNWMHHLHGEZOF-WTGUMLROSA-N 2 2 349.563 3.268 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506489533 312050520 /nfs/dbraw/zinc/05/05/20/312050520.db2.gz VTDVYFRKPVKOCI-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506489533 312050521 /nfs/dbraw/zinc/05/05/21/312050521.db2.gz VTDVYFRKPVKOCI-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506489533 312050522 /nfs/dbraw/zinc/05/05/22/312050522.db2.gz VTDVYFRKPVKOCI-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506489533 312050524 /nfs/dbraw/zinc/05/05/24/312050524.db2.gz VTDVYFRKPVKOCI-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514077 312211957 /nfs/dbraw/zinc/21/19/57/312211957.db2.gz VXSZILKGGHJJGJ-JYAXBFRTSA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514077 312211958 /nfs/dbraw/zinc/21/19/58/312211958.db2.gz VXSZILKGGHJJGJ-JYAXBFRTSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514077 312211959 /nfs/dbraw/zinc/21/19/59/312211959.db2.gz VXSZILKGGHJJGJ-JYAXBFRTSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514077 312211961 /nfs/dbraw/zinc/21/19/61/312211961.db2.gz VXSZILKGGHJJGJ-JYAXBFRTSA-N 3 2 329.532 3.217 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1OC ZINC000514909696 312252994 /nfs/dbraw/zinc/25/29/94/312252994.db2.gz FINOQWAGJUGZHD-MAUKXSAKSA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000514909696 312252995 /nfs/dbraw/zinc/25/29/95/312252995.db2.gz FINOQWAGJUGZHD-MAUKXSAKSA-N 2 2 332.488 3.241 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000515303515 312275448 /nfs/dbraw/zinc/27/54/48/312275448.db2.gz FUDAJLXWZYAAHX-UPHRSURJSA-N 2 2 334.891 3.180 20 0 EGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1OCc1cccnc1 ZINC000516513294 312326816 /nfs/dbraw/zinc/32/68/16/312326816.db2.gz RCBIRBNPWJUDNH-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1OCc1cccnc1 ZINC000516513294 312326819 /nfs/dbraw/zinc/32/68/19/312326819.db2.gz RCBIRBNPWJUDNH-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP Cc1nn2c(C[NH2+]C[C@@H]3[NH2+]CCCC3(C)C)c(C(C)C)nc2s1 ZINC000517017458 312358558 /nfs/dbraw/zinc/35/85/58/312358558.db2.gz LAQZQIZAPNILML-AWEZNQCLSA-N 2 2 335.521 3.090 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000517677499 312387794 /nfs/dbraw/zinc/38/77/94/312387794.db2.gz KZTADSAOEAHJIS-UXHICEINSA-N 2 2 349.482 3.481 20 0 EGADLP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426046 313091388 /nfs/dbraw/zinc/09/13/88/313091388.db2.gz STYZSSXLJGADOK-LSTHTHJFSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426046 313091392 /nfs/dbraw/zinc/09/13/92/313091392.db2.gz STYZSSXLJGADOK-LSTHTHJFSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426046 313091393 /nfs/dbraw/zinc/09/13/93/313091393.db2.gz STYZSSXLJGADOK-LSTHTHJFSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426046 313091397 /nfs/dbraw/zinc/09/13/97/313091397.db2.gz STYZSSXLJGADOK-LSTHTHJFSA-N 2 2 332.463 3.462 20 0 EGADLP C/C(Cl)=C/C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000528510108 313108251 /nfs/dbraw/zinc/10/82/51/313108251.db2.gz XABNJPWGIQBIQO-CLRKVHHDSA-N 2 2 333.907 3.021 20 0 EGADLP C/C(Cl)=C/C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000528510108 313108253 /nfs/dbraw/zinc/10/82/53/313108253.db2.gz XABNJPWGIQBIQO-CLRKVHHDSA-N 2 2 333.907 3.021 20 0 EGADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)C[C@H](C)O1 ZINC000529533932 313347397 /nfs/dbraw/zinc/34/73/97/313347397.db2.gz MWRZKJPHTDVUMJ-HOTGVXAUSA-N 2 2 343.446 3.120 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccsc1C(F)(F)F ZINC000529533632 313347447 /nfs/dbraw/zinc/34/74/47/313347447.db2.gz BHMMTNVGYQLNAP-RDBSUJKOSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccsc1C(F)(F)F ZINC000529533632 313347448 /nfs/dbraw/zinc/34/74/48/313347448.db2.gz BHMMTNVGYQLNAP-RDBSUJKOSA-N 2 2 348.434 3.450 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000536067902 314092884 /nfs/dbraw/zinc/09/28/84/314092884.db2.gz HNJVCWAMVDPTJT-AWEZNQCLSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000536067902 314092887 /nfs/dbraw/zinc/09/28/87/314092887.db2.gz HNJVCWAMVDPTJT-AWEZNQCLSA-N 2 2 326.375 3.204 20 0 EGADLP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000537477698 314184050 /nfs/dbraw/zinc/18/40/50/314184050.db2.gz KEPQONCKWMNSAX-PCCBWWKXSA-N 2 2 330.516 3.487 20 0 EGADLP CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000537477698 314184051 /nfs/dbraw/zinc/18/40/51/314184051.db2.gz KEPQONCKWMNSAX-PCCBWWKXSA-N 2 2 330.516 3.487 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000540494308 314384507 /nfs/dbraw/zinc/38/45/07/314384507.db2.gz VRJQYZYOJGEWFB-PMACEKPBSA-N 2 2 343.515 3.237 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000540494308 314384511 /nfs/dbraw/zinc/38/45/11/314384511.db2.gz VRJQYZYOJGEWFB-PMACEKPBSA-N 2 2 343.515 3.237 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547655516 314922510 /nfs/dbraw/zinc/92/25/10/314922510.db2.gz OMPKHPOIBICMBX-WFASDCNBSA-N 2 2 339.468 3.376 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ncc(Br)cc1F ZINC000547978020 314956850 /nfs/dbraw/zinc/95/68/50/314956850.db2.gz DTAHTUHJSLBHCA-NSHDSACASA-N 2 2 341.228 3.311 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678885 315033916 /nfs/dbraw/zinc/03/39/16/315033916.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678885 315033920 /nfs/dbraw/zinc/03/39/20/315033920.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678885 315033924 /nfs/dbraw/zinc/03/39/24/315033924.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678885 315033929 /nfs/dbraw/zinc/03/39/29/315033929.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678885 315033932 /nfs/dbraw/zinc/03/39/32/315033932.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678885 315033934 /nfs/dbraw/zinc/03/39/34/315033934.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678885 315033938 /nfs/dbraw/zinc/03/39/38/315033938.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678885 315033942 /nfs/dbraw/zinc/03/39/42/315033942.db2.gz ZSPBGZPKQDERLB-IBGZPJMESA-N 2 2 349.482 3.444 20 0 EGADLP C[C@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)[NH+]1CCCC1 ZINC000548903997 315061898 /nfs/dbraw/zinc/06/18/98/315061898.db2.gz NMPHEMIJXHJQRT-OAHLLOKOSA-N 2 2 325.412 3.088 20 0 EGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000557339602 315506486 /nfs/dbraw/zinc/50/64/86/315506486.db2.gz WZOKXYPNUMRSPF-ZBFHGGJFSA-N 2 2 344.286 3.107 20 0 EGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccn1 ZINC000559246930 315623006 /nfs/dbraw/zinc/62/30/06/315623006.db2.gz JJUHCIRFAMDZIT-JKSUJKDBSA-N 2 2 340.471 3.361 20 0 EGADLP Cc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000561627686 315773377 /nfs/dbraw/zinc/77/33/77/315773377.db2.gz CPYXEFVLSZORCN-GOSISDBHSA-N 2 2 339.439 3.252 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000563354249 316004285 /nfs/dbraw/zinc/00/42/85/316004285.db2.gz IBKDUFDLGMTQGJ-OAHLLOKOSA-N 2 2 348.441 3.010 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707402 316058894 /nfs/dbraw/zinc/05/88/94/316058894.db2.gz KEXZOAIXCGORGA-YLJYHZDGSA-N 2 2 326.484 3.309 20 0 EGADLP CS[C@@H](C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000564792618 316206772 /nfs/dbraw/zinc/20/67/72/316206772.db2.gz OISAKEVZJSAYFL-YJBOKZPZSA-N 2 2 349.544 3.381 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000565611724 316347242 /nfs/dbraw/zinc/34/72/42/316347242.db2.gz CGACUZFAXNTXJU-XMSQKQJNSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C ZINC000565611724 316347244 /nfs/dbraw/zinc/34/72/44/316347244.db2.gz CGACUZFAXNTXJU-XMSQKQJNSA-N 2 2 338.495 3.373 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000568740606 316816167 /nfs/dbraw/zinc/81/61/67/316816167.db2.gz MUJIDMGNHGOFJU-JQHSSLGASA-N 2 2 339.487 3.148 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000569686020 316948511 /nfs/dbraw/zinc/94/85/11/316948511.db2.gz DIDQFLHEJLWVMZ-LJQANCHMSA-N 2 2 336.435 3.115 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000570169066 317017452 /nfs/dbraw/zinc/01/74/52/317017452.db2.gz NJYVMYFTRPJJST-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000570495886 317063598 /nfs/dbraw/zinc/06/35/98/317063598.db2.gz PMMLEGCFJMPUCL-HNNXBMFYSA-N 2 2 339.439 3.254 20 0 EGADLP Cc1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000570495886 317063601 /nfs/dbraw/zinc/06/36/01/317063601.db2.gz PMMLEGCFJMPUCL-HNNXBMFYSA-N 2 2 339.439 3.254 20 0 EGADLP CCC[N@H+](C)[C@H](C[NH2+]C[C@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040507 317143043 /nfs/dbraw/zinc/14/30/43/317143043.db2.gz FUTZDGUPHNAJHI-JKSUJKDBSA-N 2 2 330.925 3.036 20 0 EGADLP CCC[N@@H+](C)[C@H](C[NH2+]C[C@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040507 317143046 /nfs/dbraw/zinc/14/30/46/317143046.db2.gz FUTZDGUPHNAJHI-JKSUJKDBSA-N 2 2 330.925 3.036 20 0 EGADLP Cc1ccc([C@H](CNC(=O)Nc2ccn3cc[nH+]c3c2)[NH+](C)C)cc1 ZINC000571484485 317204663 /nfs/dbraw/zinc/20/46/63/317204663.db2.gz HSTDNSJSHHPBKD-KRWDZBQOSA-N 2 2 337.427 3.067 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000571842993 317254867 /nfs/dbraw/zinc/25/48/67/317254867.db2.gz ZVSAQTTVXZZUBO-KRWDZBQOSA-N 2 2 340.895 3.281 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000571842993 317254870 /nfs/dbraw/zinc/25/48/70/317254870.db2.gz ZVSAQTTVXZZUBO-KRWDZBQOSA-N 2 2 340.895 3.281 20 0 EGADLP Cc1nc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[nH]c1C ZINC000572135638 317297170 /nfs/dbraw/zinc/29/71/70/317297170.db2.gz HINGWJWDIMYUAQ-HUUCEWRRSA-N 2 2 326.488 3.273 20 0 EGADLP Cc1[nH]c(CNC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)[nH+]c1C ZINC000572135638 317297172 /nfs/dbraw/zinc/29/71/72/317297172.db2.gz HINGWJWDIMYUAQ-HUUCEWRRSA-N 2 2 326.488 3.273 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1Br ZINC000234953726 456150966 /nfs/dbraw/zinc/15/09/66/456150966.db2.gz HBWRMUZTTTXWPQ-DGCLKSJQSA-N 2 2 327.266 3.250 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000172400462 323280268 /nfs/dbraw/zinc/28/02/68/323280268.db2.gz YEJQBIPYMJNWDL-LJQANCHMSA-N 2 2 340.471 3.001 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000172400462 323280272 /nfs/dbraw/zinc/28/02/72/323280272.db2.gz YEJQBIPYMJNWDL-LJQANCHMSA-N 2 2 340.471 3.001 20 0 EGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000178332280 323355743 /nfs/dbraw/zinc/35/57/43/323355743.db2.gz GHQZVPCYRHCSKA-UYAOXDASSA-N 2 2 332.488 3.019 20 0 EGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178332280 323355746 /nfs/dbraw/zinc/35/57/46/323355746.db2.gz GHQZVPCYRHCSKA-UYAOXDASSA-N 2 2 332.488 3.019 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202642 323374653 /nfs/dbraw/zinc/37/46/53/323374653.db2.gz JYPWSYFTZFXAFW-VHSXEESVSA-N 2 2 330.295 3.041 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202642 323374657 /nfs/dbraw/zinc/37/46/57/323374657.db2.gz JYPWSYFTZFXAFW-VHSXEESVSA-N 2 2 330.295 3.041 20 0 EGADLP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386903386 324270266 /nfs/dbraw/zinc/27/02/66/324270266.db2.gz ZDNKMKLJNUHCPF-SJLPKXTDSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386903386 324270269 /nfs/dbraw/zinc/27/02/69/324270269.db2.gz ZDNKMKLJNUHCPF-SJLPKXTDSA-N 2 2 334.467 3.318 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)[NH+](C)C)cc1 ZINC000576271929 324580275 /nfs/dbraw/zinc/58/02/75/324580275.db2.gz MHXGRYAYFQACEB-JRGCBEDISA-N 2 2 326.484 3.352 20 0 EGADLP C[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccon1 ZINC000576923269 324706494 /nfs/dbraw/zinc/70/64/94/324706494.db2.gz NXVPLZSZOQFINS-YOEHRIQHSA-N 2 2 327.428 3.313 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000578903685 325034990 /nfs/dbraw/zinc/03/49/90/325034990.db2.gz RWAYEEMZWRAJFH-ZWNOBZJWSA-N 2 2 329.307 3.483 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000578903685 325034991 /nfs/dbraw/zinc/03/49/91/325034991.db2.gz RWAYEEMZWRAJFH-ZWNOBZJWSA-N 2 2 329.307 3.483 20 0 EGADLP CC(C)(C[NH2+]Cc1ccc2c(n1)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000579203522 325076111 /nfs/dbraw/zinc/07/61/11/325076111.db2.gz PMKAWFRCQRSVAN-UHFFFAOYSA-N 2 2 335.495 3.497 20 0 EGADLP CC(C)(C[NH2+]Cc1ccc2c(n1)CCC2)[N@H+]1CCc2ccccc2C1 ZINC000579203522 325076115 /nfs/dbraw/zinc/07/61/15/325076115.db2.gz PMKAWFRCQRSVAN-UHFFFAOYSA-N 2 2 335.495 3.497 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000580063902 325197800 /nfs/dbraw/zinc/19/78/00/325197800.db2.gz ANYCWBWKSYOBDY-BEFAXECRSA-N 2 2 348.874 3.314 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000580312609 325232986 /nfs/dbraw/zinc/23/29/86/325232986.db2.gz CSJLUIZOZDQZQJ-SUMWQHHRSA-N 2 2 329.488 3.345 20 0 EGADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580462361 325254464 /nfs/dbraw/zinc/25/44/64/325254464.db2.gz YDKANOWXNWVZLL-LBPRGKRZSA-N 2 2 335.249 3.055 20 0 EGADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(Oc4cc[nH+]cc4)c3)C[C@@H]21 ZINC000580622491 325274942 /nfs/dbraw/zinc/27/49/42/325274942.db2.gz NVCZGGZZJLKZEK-KDOFPFPSSA-N 2 2 338.411 3.042 20 0 EGADLP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(Oc4cc[nH+]cc4)c3)C[C@@H]21 ZINC000580622491 325274944 /nfs/dbraw/zinc/27/49/44/325274944.db2.gz NVCZGGZZJLKZEK-KDOFPFPSSA-N 2 2 338.411 3.042 20 0 EGADLP COc1ncccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000580957140 325314212 /nfs/dbraw/zinc/31/42/12/325314212.db2.gz KLGNGWGAINKRHU-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ncccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000580957140 325314213 /nfs/dbraw/zinc/31/42/13/325314213.db2.gz KLGNGWGAINKRHU-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000580957140 325314215 /nfs/dbraw/zinc/31/42/15/325314215.db2.gz KLGNGWGAINKRHU-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000580957140 325314216 /nfs/dbraw/zinc/31/42/16/325314216.db2.gz KLGNGWGAINKRHU-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)Cc1ccc2ccccc2c1 ZINC000582482809 325444897 /nfs/dbraw/zinc/44/48/97/325444897.db2.gz WMIPCZNCWCFJGL-FQEVSTJZSA-N 2 2 335.451 3.066 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@@H](C)[C@@H](C)C3)c2cc1C ZINC000583786685 325551021 /nfs/dbraw/zinc/55/10/21/325551021.db2.gz LEDGBIAGFXOFIA-LTCOOKNTSA-N 2 2 329.488 3.428 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000183249876 455261593 /nfs/dbraw/zinc/26/15/93/455261593.db2.gz ZSMQPQVOZHQURK-HXUWFJFHSA-N 2 2 338.499 3.434 20 0 EGADLP C[C@H](CC[NH2+][C@@H](c1nccn1C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000183291869 455271962 /nfs/dbraw/zinc/27/19/62/455271962.db2.gz XLHHJENQLKPYIX-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H](CC[NH2+][C@@H](c1nccn1C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000183291869 455271967 /nfs/dbraw/zinc/27/19/67/455271967.db2.gz XLHHJENQLKPYIX-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158885927 455336022 /nfs/dbraw/zinc/33/60/22/455336022.db2.gz LICRPFDSPWWZNA-GDBMZVCRSA-N 2 2 339.549 3.318 20 0 EGADLP O=C(Nc1ccccc1)c1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868487 460584316 /nfs/dbraw/zinc/58/43/16/460584316.db2.gz IFHBLQFJIYMXAA-NQIIRXRSSA-N 2 2 335.451 3.171 20 0 EGADLP c1c(C[NH2+]CC[NH+]2CCCC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000023480233 453711525 /nfs/dbraw/zinc/71/15/25/453711525.db2.gz CGWSMZCALGGLPH-UHFFFAOYSA-N 2 2 347.466 3.120 20 0 EGADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](CC(C)C)CC1)O[C@@H](C)C2 ZINC000075760924 453925177 /nfs/dbraw/zinc/92/51/77/453925177.db2.gz DMWBNJXSYRLFSZ-HNNXBMFYSA-N 2 2 332.488 3.229 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000075861210 453933861 /nfs/dbraw/zinc/93/38/61/453933861.db2.gz IKINEAMZUAHTSF-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000075861210 453933863 /nfs/dbraw/zinc/93/38/63/453933863.db2.gz IKINEAMZUAHTSF-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000075861210 453933865 /nfs/dbraw/zinc/93/38/65/453933865.db2.gz IKINEAMZUAHTSF-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000075861210 453933866 /nfs/dbraw/zinc/93/38/66/453933866.db2.gz IKINEAMZUAHTSF-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000076001424 453947390 /nfs/dbraw/zinc/94/73/90/453947390.db2.gz LHINQUXFAVVHKQ-IBGZPJMESA-N 2 2 345.531 3.236 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000076001424 453947394 /nfs/dbraw/zinc/94/73/94/453947394.db2.gz LHINQUXFAVVHKQ-IBGZPJMESA-N 2 2 345.531 3.236 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000076003052 453947960 /nfs/dbraw/zinc/94/79/60/453947960.db2.gz XSSJLBGWOHWWHI-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000076003052 453947966 /nfs/dbraw/zinc/94/79/66/453947966.db2.gz XSSJLBGWOHWWHI-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069295 453955843 /nfs/dbraw/zinc/95/58/43/453955843.db2.gz ZQJUCOCEKWHPDU-UEKVPHQBSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069295 453955845 /nfs/dbraw/zinc/95/58/45/453955845.db2.gz ZQJUCOCEKWHPDU-UEKVPHQBSA-N 2 2 329.257 3.407 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877966 453960638 /nfs/dbraw/zinc/96/06/38/453960638.db2.gz DAXCBMNSNOTAJD-HNNXBMFYSA-N 2 2 345.409 3.329 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877966 453960642 /nfs/dbraw/zinc/96/06/42/453960642.db2.gz DAXCBMNSNOTAJD-HNNXBMFYSA-N 2 2 345.409 3.329 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877966 453960644 /nfs/dbraw/zinc/96/06/44/453960644.db2.gz DAXCBMNSNOTAJD-HNNXBMFYSA-N 2 2 345.409 3.329 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877966 453960646 /nfs/dbraw/zinc/96/06/46/453960646.db2.gz DAXCBMNSNOTAJD-HNNXBMFYSA-N 2 2 345.409 3.329 20 0 EGADLP C[NH+](C)CCc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000076222657 453980865 /nfs/dbraw/zinc/98/08/65/453980865.db2.gz KPPYCNVPSAITDH-UHFFFAOYSA-N 2 2 348.450 3.288 20 0 EGADLP CCCC[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000076428607 453999862 /nfs/dbraw/zinc/99/98/62/453999862.db2.gz CGOIEQACCFAYHP-UHFFFAOYSA-N 2 2 338.521 3.045 20 0 EGADLP CCCC[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000076428607 453999864 /nfs/dbraw/zinc/99/98/64/453999864.db2.gz CGOIEQACCFAYHP-UHFFFAOYSA-N 2 2 338.521 3.045 20 0 EGADLP CCC[N@@H+]1CC[C@H](CNc2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000068670014 454044010 /nfs/dbraw/zinc/04/40/10/454044010.db2.gz GXUNWVYQCPSHDE-OAHLLOKOSA-N 2 2 325.460 3.245 20 0 EGADLP CCC[N@H+]1CC[C@H](CNc2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000068670014 454044013 /nfs/dbraw/zinc/04/40/13/454044013.db2.gz GXUNWVYQCPSHDE-OAHLLOKOSA-N 2 2 325.460 3.245 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801669 454055291 /nfs/dbraw/zinc/05/52/91/454055291.db2.gz FDQNATQRKSWRFM-BBRMVZONSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801669 454055294 /nfs/dbraw/zinc/05/52/94/454055294.db2.gz FDQNATQRKSWRFM-BBRMVZONSA-N 2 2 330.303 3.280 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000056621280 454071612 /nfs/dbraw/zinc/07/16/12/454071612.db2.gz DZXUGJCZTJHMQR-UHFFFAOYSA-N 2 2 349.438 3.256 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000184535960 455397843 /nfs/dbraw/zinc/39/78/43/455397843.db2.gz SCVSKSGORMWHIT-HXUWFJFHSA-N 2 2 339.483 3.032 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000184535960 455397846 /nfs/dbraw/zinc/39/78/46/455397846.db2.gz SCVSKSGORMWHIT-HXUWFJFHSA-N 2 2 339.483 3.032 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000089593672 454165307 /nfs/dbraw/zinc/16/53/07/454165307.db2.gz JWHWNCYGJNNTDE-BJLQDIEVSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000089593672 454165310 /nfs/dbraw/zinc/16/53/10/454165310.db2.gz JWHWNCYGJNNTDE-BJLQDIEVSA-N 2 2 343.515 3.030 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000070396322 454168779 /nfs/dbraw/zinc/16/87/79/454168779.db2.gz BZNYDMOBBZDHJG-UHFFFAOYSA-N 2 2 326.282 3.198 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000045733714 454176008 /nfs/dbraw/zinc/17/60/08/454176008.db2.gz NXKKADQTQXTLFE-UHFFFAOYSA-N 2 2 334.423 3.245 20 0 EGADLP C[C@]1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCC[NH2+]C1 ZINC000120072294 454254789 /nfs/dbraw/zinc/25/47/89/454254789.db2.gz AJZNDPGQTVECCB-FQEVSTJZSA-N 2 2 338.455 3.215 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)s1 ZINC000090003463 454260656 /nfs/dbraw/zinc/26/06/56/454260656.db2.gz QNEDBXSIOXZFND-CQSZACIVSA-N 2 2 347.484 3.031 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)s1 ZINC000090003463 454260666 /nfs/dbraw/zinc/26/06/66/454260666.db2.gz QNEDBXSIOXZFND-CQSZACIVSA-N 2 2 347.484 3.031 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1F ZINC000090047396 454266751 /nfs/dbraw/zinc/26/67/51/454266751.db2.gz JGGLYMZFKNGAET-UONOGXRCSA-N 2 2 326.481 3.309 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)ccc1SC ZINC000090047982 454267119 /nfs/dbraw/zinc/26/71/19/454267119.db2.gz AOGMKJMKTGXALZ-HUUCEWRRSA-N 2 2 338.517 3.179 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000090047389 454267157 /nfs/dbraw/zinc/26/71/57/454267157.db2.gz QYNKBWNHAVFLNI-PBHICJAKSA-N 2 2 338.879 3.254 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131697949 454277245 /nfs/dbraw/zinc/27/72/45/454277245.db2.gz LPLPQTDNZIMTKC-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131697949 454277250 /nfs/dbraw/zinc/27/72/50/454277250.db2.gz LPLPQTDNZIMTKC-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cnc21 ZINC000131769895 454284335 /nfs/dbraw/zinc/28/43/35/454284335.db2.gz WVYUFPGTTMZITK-GOSISDBHSA-N 2 2 337.427 3.061 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cnc21 ZINC000131769895 454284341 /nfs/dbraw/zinc/28/43/41/454284341.db2.gz WVYUFPGTTMZITK-GOSISDBHSA-N 2 2 337.427 3.061 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000078704783 454302473 /nfs/dbraw/zinc/30/24/73/454302473.db2.gz XUDUTUXEBICZQZ-IYWMVGAKSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000078704783 454302479 /nfs/dbraw/zinc/30/24/79/454302479.db2.gz XUDUTUXEBICZQZ-IYWMVGAKSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000078704783 454302484 /nfs/dbraw/zinc/30/24/84/454302484.db2.gz XUDUTUXEBICZQZ-IYWMVGAKSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000078704783 454302489 /nfs/dbraw/zinc/30/24/89/454302489.db2.gz XUDUTUXEBICZQZ-IYWMVGAKSA-N 2 2 349.563 3.077 20 0 EGADLP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]cc2C)[NH+]2CCCC2)o1 ZINC000120609863 454325460 /nfs/dbraw/zinc/32/54/60/454325460.db2.gz QJVDCOXQQUNHKV-INIZCTEOSA-N 2 2 328.416 3.250 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000090667721 454334144 /nfs/dbraw/zinc/33/41/44/454334144.db2.gz MAJPUGARLDYJRQ-LSDHHAIUSA-N 2 2 328.435 3.492 20 0 EGADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090846887 454345067 /nfs/dbraw/zinc/34/50/67/454345067.db2.gz ZGXMLFANMTWAJI-OAHLLOKOSA-N 2 2 347.484 3.045 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000072966155 454371926 /nfs/dbraw/zinc/37/19/26/454371926.db2.gz ZDCYTXSTMJOHQF-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)o1 ZINC000072966155 454371931 /nfs/dbraw/zinc/37/19/31/454371931.db2.gz ZDCYTXSTMJOHQF-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)o1 ZINC000072966155 454371937 /nfs/dbraw/zinc/37/19/37/454371937.db2.gz ZDCYTXSTMJOHQF-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000072966155 454371940 /nfs/dbraw/zinc/37/19/40/454371940.db2.gz ZDCYTXSTMJOHQF-HZPDHXFCSA-N 2 2 334.460 3.153 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccncc1)Cn1cc[nH+]c1 ZINC000062254359 454373126 /nfs/dbraw/zinc/37/31/26/454373126.db2.gz SYPIYIZZIOXABR-KRWDZBQOSA-N 2 2 336.439 3.283 20 0 EGADLP Cn1c(CCC[NH2+]Cc2ccn(-c3ccccc3)n2)[nH+]c2ccccc21 ZINC000091060822 454374318 /nfs/dbraw/zinc/37/43/18/454374318.db2.gz AUPPTHGDQHHJAE-UHFFFAOYSA-N 2 2 345.450 3.481 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000097084658 454402691 /nfs/dbraw/zinc/40/26/91/454402691.db2.gz SLQYPLZIDWCTBK-KRWDZBQOSA-N 2 2 333.476 3.312 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000121342695 454423840 /nfs/dbraw/zinc/42/38/40/454423840.db2.gz OHBMKEHYXRAWNJ-OAQYLSRUSA-N 2 2 345.531 3.296 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000091336946 454429191 /nfs/dbraw/zinc/42/91/91/454429191.db2.gz IWBXCIFAKOYDAP-RHSMWYFYSA-N 2 2 342.314 3.280 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000091336946 454429192 /nfs/dbraw/zinc/42/91/92/454429192.db2.gz IWBXCIFAKOYDAP-RHSMWYFYSA-N 2 2 342.314 3.280 20 0 EGADLP CCOc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1OC(F)F ZINC000073381158 454430206 /nfs/dbraw/zinc/43/02/06/454430206.db2.gz YTTLBYAOVGFKBU-UHFFFAOYSA-N 2 2 340.414 3.403 20 0 EGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)[nH]c2c1 ZINC000121483850 454441733 /nfs/dbraw/zinc/44/17/33/454441733.db2.gz SEGLAUHYNZPLEY-JVPBZIDWSA-N 2 2 325.456 3.433 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063771220 454447549 /nfs/dbraw/zinc/44/75/49/454447549.db2.gz CZWSEXYSIWLZNO-UHFFFAOYSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000063771220 454447553 /nfs/dbraw/zinc/44/75/53/454447553.db2.gz CZWSEXYSIWLZNO-UHFFFAOYSA-N 2 2 342.487 3.068 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975930 460637111 /nfs/dbraw/zinc/63/71/11/460637111.db2.gz KAKNDXNRTLNBBM-IIBYNOLFSA-N 2 2 332.451 3.240 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975930 460637117 /nfs/dbraw/zinc/63/71/17/460637117.db2.gz KAKNDXNRTLNBBM-IIBYNOLFSA-N 2 2 332.451 3.240 20 0 EGADLP Fc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000091672712 454455788 /nfs/dbraw/zinc/45/57/88/454455788.db2.gz MWCRUYXTDZVSQG-CQSZACIVSA-N 2 2 326.843 3.276 20 0 EGADLP Fc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000091672712 454455790 /nfs/dbraw/zinc/45/57/90/454455790.db2.gz MWCRUYXTDZVSQG-CQSZACIVSA-N 2 2 326.843 3.276 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000098144567 454461271 /nfs/dbraw/zinc/46/12/71/454461271.db2.gz YODRREKMDYSZNT-GOSISDBHSA-N 2 2 328.456 3.129 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143791 454461587 /nfs/dbraw/zinc/46/15/87/454461587.db2.gz KDTDGGXCXCOJIC-KBXCAEBGSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143791 454461590 /nfs/dbraw/zinc/46/15/90/454461590.db2.gz KDTDGGXCXCOJIC-KBXCAEBGSA-N 2 2 346.421 3.035 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073333 454516456 /nfs/dbraw/zinc/51/64/56/454516456.db2.gz MGSUPMOMNZIUCO-LLVKDONJSA-N 2 2 336.233 3.257 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073333 454516459 /nfs/dbraw/zinc/51/64/59/454516459.db2.gz MGSUPMOMNZIUCO-LLVKDONJSA-N 2 2 336.233 3.257 20 0 EGADLP Cc1cccn2cc(CN3CC[NH+](CC4CCCCC4)CC3)[nH+]c12 ZINC000065302198 454550775 /nfs/dbraw/zinc/55/07/75/454550775.db2.gz VEMDCCAZQGXKBH-UHFFFAOYSA-N 2 2 326.488 3.341 20 0 EGADLP CCc1nn(C)cc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000092366227 454557633 /nfs/dbraw/zinc/55/76/33/454557633.db2.gz DXHBNZFSWPSRNC-UHFFFAOYSA-N 2 2 346.906 3.390 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1O ZINC000092587717 454591372 /nfs/dbraw/zinc/59/13/72/454591372.db2.gz IJUKEWKCRKBJHS-SFHVURJKSA-N 2 2 332.488 3.345 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1O ZINC000092587717 454591373 /nfs/dbraw/zinc/59/13/73/454591373.db2.gz IJUKEWKCRKBJHS-SFHVURJKSA-N 2 2 332.488 3.345 20 0 EGADLP COc1c(C)cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134891899 454603633 /nfs/dbraw/zinc/60/36/33/454603633.db2.gz LLUPODXJSQCLCY-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP COc1c(C)cnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134891899 454603638 /nfs/dbraw/zinc/60/36/38/454603638.db2.gz LLUPODXJSQCLCY-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP COc1c(C)cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134891899 454603643 /nfs/dbraw/zinc/60/36/43/454603643.db2.gz LLUPODXJSQCLCY-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP COc1c(C)cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134891899 454603646 /nfs/dbraw/zinc/60/36/46/454603646.db2.gz LLUPODXJSQCLCY-APWZRJJASA-N 2 2 329.488 3.156 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134897243 454604869 /nfs/dbraw/zinc/60/48/69/454604869.db2.gz DEBISDSHEVSZJN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134897243 454604874 /nfs/dbraw/zinc/60/48/74/454604874.db2.gz DEBISDSHEVSZJN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000134897243 454604877 /nfs/dbraw/zinc/60/48/77/454604877.db2.gz DEBISDSHEVSZJN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000134897243 454604882 /nfs/dbraw/zinc/60/48/82/454604882.db2.gz DEBISDSHEVSZJN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000051084584 454609102 /nfs/dbraw/zinc/60/91/02/454609102.db2.gz CTVVCKFRZRORBC-UHFFFAOYSA-N 2 2 334.423 3.245 20 0 EGADLP Cc1cc(NC(=O)CCCCC(=O)Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC000105646244 454648420 /nfs/dbraw/zinc/64/84/20/454648420.db2.gz RJQOOCJBXMTFPM-UHFFFAOYSA-N 2 2 326.400 3.231 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974612 454663675 /nfs/dbraw/zinc/66/36/75/454663675.db2.gz RYSJKJVQTHAMLS-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974612 454663681 /nfs/dbraw/zinc/66/36/81/454663681.db2.gz RYSJKJVQTHAMLS-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000123685089 454664720 /nfs/dbraw/zinc/66/47/20/454664720.db2.gz DYQZGVMUTKWWHM-GOSISDBHSA-N 3 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000123685089 454664726 /nfs/dbraw/zinc/66/47/26/454664726.db2.gz DYQZGVMUTKWWHM-GOSISDBHSA-N 3 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000123685089 454664733 /nfs/dbraw/zinc/66/47/33/454664733.db2.gz DYQZGVMUTKWWHM-GOSISDBHSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000123685089 454664740 /nfs/dbraw/zinc/66/47/40/454664740.db2.gz DYQZGVMUTKWWHM-GOSISDBHSA-N 2 2 335.455 3.061 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080988878 454666941 /nfs/dbraw/zinc/66/69/41/454666941.db2.gz IHUDBRQRFBBVGJ-ZBFHGGJFSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080988878 454666948 /nfs/dbraw/zinc/66/69/48/454666948.db2.gz IHUDBRQRFBBVGJ-ZBFHGGJFSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106216778 454687172 /nfs/dbraw/zinc/68/71/72/454687172.db2.gz GEDHAHCSJYUIQR-SFHVURJKSA-N 2 2 340.471 3.338 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106216778 454687175 /nfs/dbraw/zinc/68/71/75/454687175.db2.gz GEDHAHCSJYUIQR-SFHVURJKSA-N 2 2 340.471 3.338 20 0 EGADLP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152685265 454712828 /nfs/dbraw/zinc/71/28/28/454712828.db2.gz WNLIBCIXJRGFDR-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000124291067 454715122 /nfs/dbraw/zinc/71/51/22/454715122.db2.gz JCUYHISZXAZCQO-UHFFFAOYSA-N 2 2 333.476 3.374 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152741898 454719736 /nfs/dbraw/zinc/71/97/36/454719736.db2.gz PMJAWHNSOQWRHC-AWEZNQCLSA-N 2 2 326.444 3.071 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597346 454722391 /nfs/dbraw/zinc/72/23/91/454722391.db2.gz MRABHOLRDJBLMW-MRXNPFEDSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597346 454722393 /nfs/dbraw/zinc/72/23/93/454722393.db2.gz MRABHOLRDJBLMW-MRXNPFEDSA-N 2 2 325.456 3.161 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868595 454726306 /nfs/dbraw/zinc/72/63/06/454726306.db2.gz LRICBRIGRCVAOB-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868595 454726310 /nfs/dbraw/zinc/72/63/10/454726310.db2.gz LRICBRIGRCVAOB-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)OCCCO2 ZINC000152828466 454729541 /nfs/dbraw/zinc/72/95/41/454729541.db2.gz YKQAAAUFNAHOMJ-HNNXBMFYSA-N 2 2 341.455 3.274 20 0 EGADLP COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1OC ZINC000124470541 454737261 /nfs/dbraw/zinc/73/72/61/454737261.db2.gz BMVWCTISUPFMGE-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1OC ZINC000124470541 454737267 /nfs/dbraw/zinc/73/72/67/454737267.db2.gz BMVWCTISUPFMGE-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc(OC)c1OC ZINC000124470541 454737268 /nfs/dbraw/zinc/73/72/68/454737268.db2.gz BMVWCTISUPFMGE-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc(OC)c1OC ZINC000124470541 454737274 /nfs/dbraw/zinc/73/72/74/454737274.db2.gz BMVWCTISUPFMGE-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP c1sc(C2CC2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000162124043 454752576 /nfs/dbraw/zinc/75/25/76/454752576.db2.gz JQXVHSDKNPCRRY-UHFFFAOYSA-N 2 2 335.517 3.097 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([S@](C)=O)cc1 ZINC000162892121 454806941 /nfs/dbraw/zinc/80/69/41/454806941.db2.gz SMIQZLWFGURKCF-IQMFZBJNSA-N 2 2 331.485 3.362 20 0 EGADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000177260003 454844245 /nfs/dbraw/zinc/84/42/45/454844245.db2.gz RYHJPKGVXHPHRA-OAHLLOKOSA-N 2 2 344.890 3.338 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583578 454856656 /nfs/dbraw/zinc/85/66/56/454856656.db2.gz NHUAZXLZJRGYOA-BEFAXECRSA-N 3 2 335.923 3.377 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583578 454856658 /nfs/dbraw/zinc/85/66/58/454856658.db2.gz NHUAZXLZJRGYOA-BEFAXECRSA-N 3 2 335.923 3.377 20 0 EGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CCOCC1 ZINC000154026017 454857895 /nfs/dbraw/zinc/85/78/95/454857895.db2.gz LOFZYFVIYVTEBU-MSOLQXFVSA-N 2 2 346.515 3.291 20 0 EGADLP Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c(C)c1 ZINC000163609203 454858814 /nfs/dbraw/zinc/85/88/14/454858814.db2.gz QRQYJYQBWDDOOL-UHFFFAOYSA-N 2 2 330.395 3.439 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000125958202 454859343 /nfs/dbraw/zinc/85/93/43/454859343.db2.gz OMTAKDFZYHNLFL-LMMKCTJWSA-N 2 2 326.488 3.457 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000126062476 454867829 /nfs/dbraw/zinc/86/78/29/454867829.db2.gz WMTJSJQNZZBFGP-IFXJQAMLSA-N 2 2 334.423 3.058 20 0 EGADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659274 454894209 /nfs/dbraw/zinc/89/42/09/454894209.db2.gz KLBVLDSJFYQSTR-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659274 454894214 /nfs/dbraw/zinc/89/42/14/454894214.db2.gz KLBVLDSJFYQSTR-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659274 454894221 /nfs/dbraw/zinc/89/42/21/454894221.db2.gz KLBVLDSJFYQSTR-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000112659274 454894228 /nfs/dbraw/zinc/89/42/28/454894228.db2.gz KLBVLDSJFYQSTR-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000165125774 454895255 /nfs/dbraw/zinc/89/52/55/454895255.db2.gz JNWABTJNNMJKID-MRXNPFEDSA-N 2 2 340.471 3.172 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000165204642 454895709 /nfs/dbraw/zinc/89/57/09/454895709.db2.gz RRLFEZHKQMFECF-YJBOKZPZSA-N 2 2 332.488 3.446 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1OC1CCCC1 ZINC000165204642 454895712 /nfs/dbraw/zinc/89/57/12/454895712.db2.gz RRLFEZHKQMFECF-YJBOKZPZSA-N 2 2 332.488 3.446 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000150814840 454896326 /nfs/dbraw/zinc/89/63/26/454896326.db2.gz XPQMTONDDAKJHI-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000150814840 454896330 /nfs/dbraw/zinc/89/63/30/454896330.db2.gz XPQMTONDDAKJHI-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@@H+]1C1CC1 ZINC000166316171 454910302 /nfs/dbraw/zinc/91/03/02/454910302.db2.gz CGALNZVALMOMKP-KHQOZGCUSA-N 2 2 339.483 3.034 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@H+]1C1CC1 ZINC000166316171 454910307 /nfs/dbraw/zinc/91/03/07/454910307.db2.gz CGALNZVALMOMKP-KHQOZGCUSA-N 2 2 339.483 3.034 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000151037406 454928395 /nfs/dbraw/zinc/92/83/95/454928395.db2.gz ZXEUPCPEZWXFOZ-KRWDZBQOSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000151037406 454928399 /nfs/dbraw/zinc/92/83/99/454928399.db2.gz ZXEUPCPEZWXFOZ-KRWDZBQOSA-N 2 2 335.455 3.050 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000151626570 455009312 /nfs/dbraw/zinc/00/93/12/455009312.db2.gz HQZLVASIDKICHG-MRXNPFEDSA-N 2 2 336.501 3.293 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)s1 ZINC000151626570 455009316 /nfs/dbraw/zinc/00/93/16/455009316.db2.gz HQZLVASIDKICHG-MRXNPFEDSA-N 2 2 336.501 3.293 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000151808954 455033645 /nfs/dbraw/zinc/03/36/45/455033645.db2.gz TZHDMTULDUAIBU-CRAIPNDOSA-N 2 2 344.524 3.380 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000151808954 455033651 /nfs/dbraw/zinc/03/36/51/455033651.db2.gz TZHDMTULDUAIBU-CRAIPNDOSA-N 2 2 344.524 3.380 20 0 EGADLP CCCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1F ZINC000128318354 455045890 /nfs/dbraw/zinc/04/58/90/455045890.db2.gz ZXKSFNBDYOBFPV-UHFFFAOYSA-N 2 2 349.494 3.028 20 0 EGADLP CCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1F ZINC000128318354 455045894 /nfs/dbraw/zinc/04/58/94/455045894.db2.gz ZXKSFNBDYOBFPV-UHFFFAOYSA-N 2 2 349.494 3.028 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000128441580 455056863 /nfs/dbraw/zinc/05/68/63/455056863.db2.gz ZVUOFIYLRVBGEI-GFCCVEGCSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000128441580 455056865 /nfs/dbraw/zinc/05/68/65/455056865.db2.gz ZVUOFIYLRVBGEI-GFCCVEGCSA-N 2 2 332.275 3.237 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000179842139 455088494 /nfs/dbraw/zinc/08/84/94/455088494.db2.gz KDGNVFSMRMIQIJ-MRXNPFEDSA-N 2 2 332.835 3.468 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394465 455112453 /nfs/dbraw/zinc/11/24/53/455112453.db2.gz DAELTGJQRSKUFN-ZACQAIPSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394465 455112456 /nfs/dbraw/zinc/11/24/56/455112456.db2.gz DAELTGJQRSKUFN-ZACQAIPSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152394465 455112459 /nfs/dbraw/zinc/11/24/59/455112459.db2.gz DAELTGJQRSKUFN-ZACQAIPSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152394465 455112461 /nfs/dbraw/zinc/11/24/61/455112461.db2.gz DAELTGJQRSKUFN-ZACQAIPSSA-N 2 2 349.544 3.074 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118843160 455115212 /nfs/dbraw/zinc/11/52/12/455115212.db2.gz QIKQEUSAQABMSJ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118843160 455115214 /nfs/dbraw/zinc/11/52/14/455115214.db2.gz QIKQEUSAQABMSJ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843160 455115218 /nfs/dbraw/zinc/11/52/18/455115218.db2.gz QIKQEUSAQABMSJ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843160 455115219 /nfs/dbraw/zinc/11/52/19/455115219.db2.gz QIKQEUSAQABMSJ-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000129575351 455116858 /nfs/dbraw/zinc/11/68/58/455116858.db2.gz RABFBBJDQJGBQL-ZBFHGGJFSA-N 3 2 347.469 3.256 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CCOCC1)c1cccc(OC)c1 ZINC000119062725 455123357 /nfs/dbraw/zinc/12/33/57/455123357.db2.gz APPVXHPUPVHJTR-OXJNMPFZSA-N 2 2 334.504 3.483 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000156561067 455132614 /nfs/dbraw/zinc/13/26/14/455132614.db2.gz LFLXSGQUPDFSCP-GOSISDBHSA-N 2 2 335.923 3.378 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000156561067 455132617 /nfs/dbraw/zinc/13/26/17/455132617.db2.gz LFLXSGQUPDFSCP-GOSISDBHSA-N 2 2 335.923 3.378 20 0 EGADLP Cc1ccc2c(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000156561117 455132772 /nfs/dbraw/zinc/13/27/72/455132772.db2.gz YGKZHAITIBYTMA-MAUKXSAKSA-N 2 2 337.423 3.381 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000156561117 455132777 /nfs/dbraw/zinc/13/27/77/455132777.db2.gz YGKZHAITIBYTMA-MAUKXSAKSA-N 2 2 337.423 3.381 20 0 EGADLP CCCCC[C@@H](CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000180115551 455134712 /nfs/dbraw/zinc/13/47/12/455134712.db2.gz SCHHBJSTEJDTMT-QGZVFWFLSA-N 2 2 337.552 3.268 20 0 EGADLP O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180169318 455143904 /nfs/dbraw/zinc/14/39/04/455143904.db2.gz HSNVWDDPAVVOSQ-HXUWFJFHSA-N 2 2 339.414 3.419 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574537 455162019 /nfs/dbraw/zinc/16/20/19/455162019.db2.gz DFQQFFMDMGTQIV-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574537 455162022 /nfs/dbraw/zinc/16/20/22/455162022.db2.gz DFQQFFMDMGTQIV-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182798814 455166510 /nfs/dbraw/zinc/16/65/10/455166510.db2.gz IFZWUSBKPCLGOT-LJQANCHMSA-N 2 2 348.441 3.320 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cscn2)C[C@@H](C)O1 ZINC000237413475 455182841 /nfs/dbraw/zinc/18/28/41/455182841.db2.gz ARPKKKALYAQEFT-HUUCEWRRSA-N 2 2 331.485 3.042 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189386536 455188245 /nfs/dbraw/zinc/18/82/45/455188245.db2.gz HUHBOAQQTDMLBQ-ZWKOTPCHSA-N 2 2 340.870 3.337 20 0 EGADLP C[C@H]1CCN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000180563797 455198294 /nfs/dbraw/zinc/19/82/94/455198294.db2.gz BVHZIZGLKLFRRH-SFHVURJKSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@H]1CCN(Cc2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000180563797 455198298 /nfs/dbraw/zinc/19/82/98/455198298.db2.gz BVHZIZGLKLFRRH-SFHVURJKSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@@](C[NH3+])(NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC1 ZINC000237642422 455201404 /nfs/dbraw/zinc/20/14/04/455201404.db2.gz UNYZNLIRGYLLAP-SFHVURJKSA-N 2 2 345.830 3.385 20 0 EGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183662404 455317265 /nfs/dbraw/zinc/31/72/65/455317265.db2.gz IUBXUJHDDCUNLX-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158703830 455323665 /nfs/dbraw/zinc/32/36/65/455323665.db2.gz PHVXYTSQLMKZJG-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158703830 455323669 /nfs/dbraw/zinc/32/36/69/455323669.db2.gz PHVXYTSQLMKZJG-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158703830 455323673 /nfs/dbraw/zinc/32/36/73/455323673.db2.gz PHVXYTSQLMKZJG-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158703830 455323678 /nfs/dbraw/zinc/32/36/78/455323678.db2.gz PHVXYTSQLMKZJG-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP CN(C(=O)[C@@H]1CC=CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245700474 455359444 /nfs/dbraw/zinc/35/94/44/455359444.db2.gz LFKHYEBFKCJOBC-RLLQIKCJSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)[C@@H]1CC=CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245700474 455359450 /nfs/dbraw/zinc/35/94/50/455359450.db2.gz LFKHYEBFKCJOBC-RLLQIKCJSA-N 2 2 347.547 3.138 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C12CCC2 ZINC000181978587 455408144 /nfs/dbraw/zinc/40/81/44/455408144.db2.gz FQZXTFLQVLGSRC-ZWKOTPCHSA-N 2 2 327.472 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000190941562 455410366 /nfs/dbraw/zinc/41/03/66/455410366.db2.gz XWILETVJRLXYSB-MJGOQNOKSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000190941562 455410370 /nfs/dbraw/zinc/41/03/70/455410370.db2.gz XWILETVJRLXYSB-MJGOQNOKSA-N 2 2 336.520 3.053 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000246074184 455421160 /nfs/dbraw/zinc/42/11/60/455421160.db2.gz FEXUPDWJTYAACB-SWLSCSKDSA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000246074184 455421164 /nfs/dbraw/zinc/42/11/64/455421164.db2.gz FEXUPDWJTYAACB-SWLSCSKDSA-N 2 2 341.293 3.278 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246100824 455426360 /nfs/dbraw/zinc/42/63/60/455426360.db2.gz OQSCZLBNMPCVQG-ZOBUZTSGSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246100824 455426365 /nfs/dbraw/zinc/42/63/65/455426365.db2.gz OQSCZLBNMPCVQG-ZOBUZTSGSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246100824 455426369 /nfs/dbraw/zinc/42/63/69/455426369.db2.gz OQSCZLBNMPCVQG-ZOBUZTSGSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246100824 455426372 /nfs/dbraw/zinc/42/63/72/455426372.db2.gz OQSCZLBNMPCVQG-ZOBUZTSGSA-N 2 2 346.471 3.384 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246163996 455439861 /nfs/dbraw/zinc/43/98/61/455439861.db2.gz IBNIMTDPQYOBCM-CVEARBPZSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246163996 455439863 /nfs/dbraw/zinc/43/98/63/455439863.db2.gz IBNIMTDPQYOBCM-CVEARBPZSA-N 2 2 347.528 3.153 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246333383 455473271 /nfs/dbraw/zinc/47/32/71/455473271.db2.gz GYBQGSHVXDJKOV-HOTGVXAUSA-N 2 2 331.504 3.022 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246333383 455473277 /nfs/dbraw/zinc/47/32/77/455473277.db2.gz GYBQGSHVXDJKOV-HOTGVXAUSA-N 2 2 331.504 3.022 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246740722 455521699 /nfs/dbraw/zinc/52/16/99/455521699.db2.gz WTPFOCPXBQULHO-PKOBYXMFSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246740722 455521704 /nfs/dbraw/zinc/52/17/04/455521704.db2.gz WTPFOCPXBQULHO-PKOBYXMFSA-N 2 2 335.536 3.116 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110076 455560765 /nfs/dbraw/zinc/56/07/65/455560765.db2.gz SZYAFEFTXKDPKB-SVFBPWRDSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110076 455560770 /nfs/dbraw/zinc/56/07/70/455560770.db2.gz SZYAFEFTXKDPKB-SVFBPWRDSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110076 455560773 /nfs/dbraw/zinc/56/07/73/455560773.db2.gz SZYAFEFTXKDPKB-SVFBPWRDSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110076 455560777 /nfs/dbraw/zinc/56/07/77/455560777.db2.gz SZYAFEFTXKDPKB-SVFBPWRDSA-N 3 2 344.547 3.002 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185604644 455584242 /nfs/dbraw/zinc/58/42/42/455584242.db2.gz WMCAVAIOJKMEIL-AWEZNQCLSA-N 2 2 329.419 3.242 20 0 EGADLP CC[N@H+](CCCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC000268043776 455585100 /nfs/dbraw/zinc/58/51/00/455585100.db2.gz RBDSBLZNDWXNEB-UHFFFAOYSA-N 2 2 345.512 3.456 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1sccc1C[NH+](C)C)c1ccccc1 ZINC000268043776 455585104 /nfs/dbraw/zinc/58/51/04/455585104.db2.gz RBDSBLZNDWXNEB-UHFFFAOYSA-N 2 2 345.512 3.456 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2ncnn2CC(C)C)CC1 ZINC000182788874 455587099 /nfs/dbraw/zinc/58/70/99/455587099.db2.gz OYKUDOAASOOWSP-UHFFFAOYSA-N 2 2 335.540 3.268 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185679488 455594535 /nfs/dbraw/zinc/59/45/35/455594535.db2.gz KSLNQHOIUUDVSC-UTKZUKDTSA-N 2 2 338.499 3.463 20 0 EGADLP Fc1cc(F)cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355116 455596515 /nfs/dbraw/zinc/59/65/15/455596515.db2.gz FXTFNWLODKVTRU-FQEVSTJZSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1cc(F)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355116 455596518 /nfs/dbraw/zinc/59/65/18/455596518.db2.gz FXTFNWLODKVTRU-FQEVSTJZSA-N 2 2 346.421 3.346 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247500761 455613749 /nfs/dbraw/zinc/61/37/49/455613749.db2.gz LSEHLWYJIFLQMI-AZUAARDMSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247500761 455613754 /nfs/dbraw/zinc/61/37/54/455613754.db2.gz LSEHLWYJIFLQMI-AZUAARDMSA-N 2 2 345.531 3.308 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000192447910 455619152 /nfs/dbraw/zinc/61/91/52/455619152.db2.gz WJFFVDLECSJELO-MHJFOBGBSA-N 2 2 346.515 3.464 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000192447910 455619160 /nfs/dbraw/zinc/61/91/60/455619160.db2.gz WJFFVDLECSJELO-MHJFOBGBSA-N 2 2 346.515 3.464 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044359 455628456 /nfs/dbraw/zinc/62/84/56/455628456.db2.gz JDNVHJKPLFHDGO-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044359 455628463 /nfs/dbraw/zinc/62/84/63/455628463.db2.gz JDNVHJKPLFHDGO-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044359 455628467 /nfs/dbraw/zinc/62/84/67/455628467.db2.gz JDNVHJKPLFHDGO-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044359 455628472 /nfs/dbraw/zinc/62/84/72/455628472.db2.gz JDNVHJKPLFHDGO-MJGOQNOKSA-N 2 2 334.529 3.105 20 0 EGADLP CC(C)OCCC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284053254 455628895 /nfs/dbraw/zinc/62/88/95/455628895.db2.gz JQGYDPYNQPUVDQ-FQEVSTJZSA-N 2 2 334.504 3.024 20 0 EGADLP CC(C)OCCC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284053254 455628900 /nfs/dbraw/zinc/62/89/00/455628900.db2.gz JQGYDPYNQPUVDQ-FQEVSTJZSA-N 2 2 334.504 3.024 20 0 EGADLP CC(C)OCCC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284053254 455628907 /nfs/dbraw/zinc/62/89/07/455628907.db2.gz JQGYDPYNQPUVDQ-FQEVSTJZSA-N 2 2 334.504 3.024 20 0 EGADLP CC(C)OCCC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284053254 455628911 /nfs/dbraw/zinc/62/89/11/455628911.db2.gz JQGYDPYNQPUVDQ-FQEVSTJZSA-N 2 2 334.504 3.024 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCO[C@H](CCc4ccccc4)C3)cn2)c[nH+]1 ZINC000186078357 455690011 /nfs/dbraw/zinc/69/00/11/455690011.db2.gz KFXFSLRSXBPCEI-HXUWFJFHSA-N 2 2 348.450 3.101 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCO[C@H](CCc4ccccc4)C3)cn2)c[nH+]1 ZINC000186078357 455690015 /nfs/dbraw/zinc/69/00/15/455690015.db2.gz KFXFSLRSXBPCEI-HXUWFJFHSA-N 2 2 348.450 3.101 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217785 455698515 /nfs/dbraw/zinc/69/85/15/455698515.db2.gz ZYUKFANLFNWBFQ-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217785 455698521 /nfs/dbraw/zinc/69/85/21/455698521.db2.gz ZYUKFANLFNWBFQ-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217785 455698524 /nfs/dbraw/zinc/69/85/24/455698524.db2.gz ZYUKFANLFNWBFQ-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217785 455698529 /nfs/dbraw/zinc/69/85/29/455698529.db2.gz ZYUKFANLFNWBFQ-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC2CC[NH+](C3CC3)CC2)c1C ZINC000277911197 455705735 /nfs/dbraw/zinc/70/57/35/455705735.db2.gz OZSFEXJKOGYRRM-UHFFFAOYSA-N 2 2 337.471 3.442 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000268872326 455717305 /nfs/dbraw/zinc/71/73/05/455717305.db2.gz GINNNODJXLFKAD-RHSMWYFYSA-N 2 2 329.513 3.114 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000268872326 455717307 /nfs/dbraw/zinc/71/73/07/455717307.db2.gz GINNNODJXLFKAD-RHSMWYFYSA-N 2 2 329.513 3.114 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292699341 455734936 /nfs/dbraw/zinc/73/49/36/455734936.db2.gz CCWXSLOVWBRESU-UHFFFAOYSA-N 2 2 341.430 3.225 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292699341 455734941 /nfs/dbraw/zinc/73/49/41/455734941.db2.gz CCWXSLOVWBRESU-UHFFFAOYSA-N 2 2 341.430 3.225 20 0 EGADLP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324498 455743815 /nfs/dbraw/zinc/74/38/15/455743815.db2.gz LAVBSFNGMWGPBU-LPHOPBHVSA-N 2 2 345.531 3.305 20 0 EGADLP CC[N@H+](CCC1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000292757663 455749823 /nfs/dbraw/zinc/74/98/23/455749823.db2.gz XICHNABKNYIOJP-UHFFFAOYSA-N 2 2 331.504 3.437 20 0 EGADLP CC[N@@H+](CCC1CCOCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000292757663 455749826 /nfs/dbraw/zinc/74/98/26/455749826.db2.gz XICHNABKNYIOJP-UHFFFAOYSA-N 2 2 331.504 3.437 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024946 455766928 /nfs/dbraw/zinc/76/69/28/455766928.db2.gz REBKNTLXHLPZRR-FKPGQJDZSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000269024946 455766930 /nfs/dbraw/zinc/76/69/30/455766930.db2.gz REBKNTLXHLPZRR-FKPGQJDZSA-N 2 2 327.516 3.112 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002312 455769959 /nfs/dbraw/zinc/76/99/59/455769959.db2.gz SXLDWRWHVPBPKB-YEWWUXTCSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002312 455769964 /nfs/dbraw/zinc/76/99/64/455769964.db2.gz SXLDWRWHVPBPKB-YEWWUXTCSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)oc1C ZINC000293002312 455769968 /nfs/dbraw/zinc/76/99/68/455769968.db2.gz SXLDWRWHVPBPKB-YEWWUXTCSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)oc1C ZINC000293002312 455769974 /nfs/dbraw/zinc/76/99/74/455769974.db2.gz SXLDWRWHVPBPKB-YEWWUXTCSA-N 2 2 346.471 3.384 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827352 455777443 /nfs/dbraw/zinc/77/74/43/455777443.db2.gz DIUZWYXULDNPSZ-WFASDCNBSA-N 2 2 349.862 3.077 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827352 455777445 /nfs/dbraw/zinc/77/74/45/455777445.db2.gz DIUZWYXULDNPSZ-WFASDCNBSA-N 2 2 349.862 3.077 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081628 455785716 /nfs/dbraw/zinc/78/57/16/455785716.db2.gz ZRYZTWUAJWTVHC-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081628 455785720 /nfs/dbraw/zinc/78/57/20/455785720.db2.gz ZRYZTWUAJWTVHC-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081628 455785723 /nfs/dbraw/zinc/78/57/23/455785723.db2.gz ZRYZTWUAJWTVHC-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081628 455785730 /nfs/dbraw/zinc/78/57/30/455785730.db2.gz ZRYZTWUAJWTVHC-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)cc3)[nH+]c2)CC1 ZINC000269107741 455791273 /nfs/dbraw/zinc/79/12/73/455791273.db2.gz BHONTCFLZWFWHY-UHFFFAOYSA-N 2 2 328.435 3.363 20 0 EGADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271878773 455796587 /nfs/dbraw/zinc/79/65/87/455796587.db2.gz OSYAVVAQTDBGAC-OAHLLOKOSA-N 2 2 330.472 3.493 20 0 EGADLP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271953903 455804534 /nfs/dbraw/zinc/80/45/34/455804534.db2.gz CHMPDFKQVMCLHK-QUCCMNQESA-N 2 2 331.504 3.229 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[C@H]1[NH3+] ZINC000269180411 455805415 /nfs/dbraw/zinc/80/54/15/455805415.db2.gz DDTZZBWGFANRSU-MLGOLLRUSA-N 2 2 345.830 3.337 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC[NH+](CC)CC1)CCC2 ZINC000278295557 455809633 /nfs/dbraw/zinc/80/96/33/455809633.db2.gz RGVWJXXPFMUNBU-HNNXBMFYSA-N 2 2 334.460 3.216 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000269374664 455845741 /nfs/dbraw/zinc/84/57/41/455845741.db2.gz XHDJFHJHQPFQNS-OEWRPIJISA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)nc1 ZINC000272200377 455875082 /nfs/dbraw/zinc/87/50/82/455875082.db2.gz IXGWDJUOKGOHCL-CZUORRHYSA-N 2 2 345.878 3.443 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272206663 455877304 /nfs/dbraw/zinc/87/73/04/455877304.db2.gz POKJBDHGRDUCLU-NVXWUHKLSA-N 2 2 345.512 3.290 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272206663 455877306 /nfs/dbraw/zinc/87/73/06/455877306.db2.gz POKJBDHGRDUCLU-NVXWUHKLSA-N 2 2 345.512 3.290 20 0 EGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000285611728 455881875 /nfs/dbraw/zinc/88/18/75/455881875.db2.gz KHJKHKQEQDDCSA-PCCBWWKXSA-N 3 2 338.499 3.164 20 0 EGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000285611728 455881877 /nfs/dbraw/zinc/88/18/77/455881877.db2.gz KHJKHKQEQDDCSA-PCCBWWKXSA-N 3 2 338.499 3.164 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000187392611 455903985 /nfs/dbraw/zinc/90/39/85/455903985.db2.gz POGDMOIKMWBRJD-MJGOQNOKSA-N 2 2 348.494 3.368 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000187392611 455903988 /nfs/dbraw/zinc/90/39/88/455903988.db2.gz POGDMOIKMWBRJD-MJGOQNOKSA-N 2 2 348.494 3.368 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261703985 455930653 /nfs/dbraw/zinc/93/06/53/455930653.db2.gz OMPSGQLXCUQWPX-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000261703985 455930657 /nfs/dbraw/zinc/93/06/57/455930657.db2.gz OMPSGQLXCUQWPX-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP COCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(C)o1 ZINC000272376925 455931273 /nfs/dbraw/zinc/93/12/73/455931273.db2.gz YDFQXEDQAJUZDO-MRXNPFEDSA-N 2 2 326.400 3.036 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC(F)F ZINC000261709143 455932584 /nfs/dbraw/zinc/93/25/84/455932584.db2.gz MGBYUHOUKLCHEQ-JKSUJKDBSA-N 2 2 348.393 3.223 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC(F)F ZINC000261709143 455932588 /nfs/dbraw/zinc/93/25/88/455932588.db2.gz MGBYUHOUKLCHEQ-JKSUJKDBSA-N 2 2 348.393 3.223 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261745384 455939873 /nfs/dbraw/zinc/93/98/73/455939873.db2.gz KUSHLNGUSBPNEU-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261745384 455939878 /nfs/dbraw/zinc/93/98/78/455939878.db2.gz KUSHLNGUSBPNEU-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000261818106 455953473 /nfs/dbraw/zinc/95/34/73/455953473.db2.gz WKYYIZDMYFZMQW-UHFFFAOYSA-N 2 2 337.895 3.217 20 0 EGADLP C[C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H](C[NH3+])C1 ZINC000261842095 455957376 /nfs/dbraw/zinc/95/73/76/455957376.db2.gz PRECYDKHKXIRNV-HOCLYGCPSA-N 2 2 325.412 3.073 20 0 EGADLP COC[C@@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000187900238 455966705 /nfs/dbraw/zinc/96/67/05/455966705.db2.gz YKIJZTVYGXIECH-NHCUHLMSSA-N 2 2 346.515 3.163 20 0 EGADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000261941312 455974953 /nfs/dbraw/zinc/97/49/53/455974953.db2.gz LNMLNUKDLQXAMF-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272519412 455979637 /nfs/dbraw/zinc/97/96/37/455979637.db2.gz PSYDDAHGQSICDP-YOEHRIQHSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272519412 455979640 /nfs/dbraw/zinc/97/96/40/455979640.db2.gz PSYDDAHGQSICDP-YOEHRIQHSA-N 2 2 346.906 3.382 20 0 EGADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000261995633 455983162 /nfs/dbraw/zinc/98/31/62/455983162.db2.gz SVNWYMMYVGFJMX-CQSZACIVSA-N 2 2 326.282 3.063 20 0 EGADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000261995633 455983165 /nfs/dbraw/zinc/98/31/65/455983165.db2.gz SVNWYMMYVGFJMX-CQSZACIVSA-N 2 2 326.282 3.063 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000270569878 455985005 /nfs/dbraw/zinc/98/50/05/455985005.db2.gz MVTOIIOOSLTYSO-MRXNPFEDSA-N 2 2 342.468 3.120 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(Cl)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272555142 455992506 /nfs/dbraw/zinc/99/25/06/455992506.db2.gz TXLTWHASRGDUGO-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(Cl)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272555142 455992510 /nfs/dbraw/zinc/99/25/10/455992510.db2.gz TXLTWHASRGDUGO-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614275 456015218 /nfs/dbraw/zinc/01/52/18/456015218.db2.gz KWHONDFEFAKOOF-LSDHHAIUSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614275 456015222 /nfs/dbraw/zinc/01/52/22/456015222.db2.gz KWHONDFEFAKOOF-LSDHHAIUSA-N 2 2 344.459 3.069 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670382 456033143 /nfs/dbraw/zinc/03/31/43/456033143.db2.gz SVQFTKIPRNROQR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670382 456033147 /nfs/dbraw/zinc/03/31/47/456033147.db2.gz SVQFTKIPRNROQR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670382 456033150 /nfs/dbraw/zinc/03/31/50/456033150.db2.gz SVQFTKIPRNROQR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@@H]2C1 ZINC000272670382 456033154 /nfs/dbraw/zinc/03/31/54/456033154.db2.gz SVQFTKIPRNROQR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000262709209 456054752 /nfs/dbraw/zinc/05/47/52/456054752.db2.gz ONDQZVAMMJGIND-RDTXWAMCSA-N 2 2 337.895 3.063 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827742 456083044 /nfs/dbraw/zinc/08/30/44/456083044.db2.gz PLZLDABCPPSWFH-XYJFISCASA-N 2 2 341.503 3.489 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827742 456083050 /nfs/dbraw/zinc/08/30/50/456083050.db2.gz PLZLDABCPPSWFH-XYJFISCASA-N 2 2 341.503 3.489 20 0 EGADLP CC[N@@H+](CCO)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000270981377 456084316 /nfs/dbraw/zinc/08/43/16/456084316.db2.gz DAVANXSTEFTZMP-UHFFFAOYSA-N 2 2 339.439 3.036 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cs1 ZINC000226395309 456108545 /nfs/dbraw/zinc/10/85/45/456108545.db2.gz HTEURVPQKRKOST-CYZMBNFOSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Br)cs1 ZINC000226395309 456108550 /nfs/dbraw/zinc/10/85/50/456108550.db2.gz HTEURVPQKRKOST-CYZMBNFOSA-N 2 2 345.306 3.024 20 0 EGADLP CCc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000301547867 456143702 /nfs/dbraw/zinc/14/37/02/456143702.db2.gz FRXPYSPWQKPXRF-CQSZACIVSA-N 2 2 327.476 3.489 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000273027334 456150585 /nfs/dbraw/zinc/15/05/85/456150585.db2.gz SYWFOQFUKCJLQS-UHFFFAOYSA-N 2 2 349.788 3.119 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000273027334 456150590 /nfs/dbraw/zinc/15/05/90/456150590.db2.gz SYWFOQFUKCJLQS-UHFFFAOYSA-N 2 2 349.788 3.119 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000289870623 456162970 /nfs/dbraw/zinc/16/29/70/456162970.db2.gz WGERLCWDKGGNIZ-UHFFFAOYSA-N 2 2 339.487 3.130 20 0 EGADLP Fc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000271221426 456180545 /nfs/dbraw/zinc/18/05/45/456180545.db2.gz ZLBGWHRVCXCIRJ-INIZCTEOSA-N 2 2 344.430 3.240 20 0 EGADLP Fc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000271221426 456180554 /nfs/dbraw/zinc/18/05/54/456180554.db2.gz ZLBGWHRVCXCIRJ-INIZCTEOSA-N 2 2 344.430 3.240 20 0 EGADLP COc1cccc(OC)c1OCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000289935268 456186148 /nfs/dbraw/zinc/18/61/48/456186148.db2.gz OOABXAYODVICAG-UHFFFAOYSA-N 2 2 347.459 3.081 20 0 EGADLP COc1cccc(OC)c1OCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000289935268 456186155 /nfs/dbraw/zinc/18/61/55/456186155.db2.gz OOABXAYODVICAG-UHFFFAOYSA-N 2 2 347.459 3.081 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236846238 456191972 /nfs/dbraw/zinc/19/19/72/456191972.db2.gz VSFFOUANYUBHRZ-QZTJIDSGSA-N 2 2 331.504 3.045 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236846238 456191975 /nfs/dbraw/zinc/19/19/75/456191975.db2.gz VSFFOUANYUBHRZ-QZTJIDSGSA-N 2 2 331.504 3.045 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)no1 ZINC000289951527 456192931 /nfs/dbraw/zinc/19/29/31/456192931.db2.gz WOARDEPRJSMNJK-ZACQAIPSSA-N 2 2 343.471 3.443 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189006772 456197271 /nfs/dbraw/zinc/19/72/71/456197271.db2.gz HRZTUBWRYPIZDD-UHFFFAOYSA-N 2 2 330.451 3.033 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271296733 456211351 /nfs/dbraw/zinc/21/13/51/456211351.db2.gz NTKAJHXEBNEQDD-DLBZAZTESA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271296733 456211354 /nfs/dbraw/zinc/21/13/54/456211354.db2.gz NTKAJHXEBNEQDD-DLBZAZTESA-N 2 2 329.444 3.244 20 0 EGADLP Clc1cnn([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000290030317 456220514 /nfs/dbraw/zinc/22/05/14/456220514.db2.gz VVBSUMLBCZLUIU-KRWDZBQOSA-N 2 2 327.819 3.169 20 0 EGADLP Clc1cnn([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000290030317 456220520 /nfs/dbraw/zinc/22/05/20/456220520.db2.gz VVBSUMLBCZLUIU-KRWDZBQOSA-N 2 2 327.819 3.169 20 0 EGADLP CC(C)c1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc(C(C)C)[nH+]1 ZINC000301833248 456227021 /nfs/dbraw/zinc/22/70/21/456227021.db2.gz UQZRLHJVGWJDNT-QGZVFWFLSA-N 2 2 346.519 3.272 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000281574041 456268951 /nfs/dbraw/zinc/26/89/51/456268951.db2.gz CTYKBXVZFLBVRW-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000290225025 456270795 /nfs/dbraw/zinc/27/07/95/456270795.db2.gz IGFZSZJOMRVOBK-CQSZACIVSA-N 2 2 336.863 3.029 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000290225025 456270800 /nfs/dbraw/zinc/27/08/00/456270800.db2.gz IGFZSZJOMRVOBK-CQSZACIVSA-N 2 2 336.863 3.029 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352761089 456283074 /nfs/dbraw/zinc/28/30/74/456283074.db2.gz UFVJLTDHRGWCQQ-SFHVURJKSA-N 2 2 340.467 3.458 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352761089 456283081 /nfs/dbraw/zinc/28/30/81/456283081.db2.gz UFVJLTDHRGWCQQ-SFHVURJKSA-N 2 2 340.467 3.458 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCSC[C@H]2c2ccccc2)s1 ZINC000347659000 456286287 /nfs/dbraw/zinc/28/62/87/456286287.db2.gz XMJWPQBGCADHNN-INIZCTEOSA-N 2 2 333.526 3.495 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCSC[C@H]2c2ccccc2)s1 ZINC000347659000 456286291 /nfs/dbraw/zinc/28/62/91/456286291.db2.gz XMJWPQBGCADHNN-INIZCTEOSA-N 2 2 333.526 3.495 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)s1 ZINC000347659002 456286728 /nfs/dbraw/zinc/28/67/28/456286728.db2.gz XMJWPQBGCADHNN-MRXNPFEDSA-N 2 2 333.526 3.495 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCSC[C@@H]2c2ccccc2)s1 ZINC000347659002 456286733 /nfs/dbraw/zinc/28/67/33/456286733.db2.gz XMJWPQBGCADHNN-MRXNPFEDSA-N 2 2 333.526 3.495 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(COc3ccccc3)CC2)s1 ZINC000347680019 456301971 /nfs/dbraw/zinc/30/19/71/456301971.db2.gz WXWUQISZBZYIOA-UHFFFAOYSA-N 2 2 345.512 3.496 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683722 456303695 /nfs/dbraw/zinc/30/36/95/456303695.db2.gz ZQLARHAYJMHANG-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683722 456303704 /nfs/dbraw/zinc/30/37/04/456303704.db2.gz ZQLARHAYJMHANG-PKOBYXMFSA-N 2 2 331.504 3.339 20 0 EGADLP COc1ccc(C[N@H+](CCc2c[nH+]cn2C)CC2CCC2)c(OC)c1 ZINC000297830907 456304157 /nfs/dbraw/zinc/30/41/57/456304157.db2.gz ZPKSMQOZUSQYKX-UHFFFAOYSA-N 2 2 343.471 3.282 20 0 EGADLP COc1ccc(C[N@@H+](CCc2c[nH+]cn2C)CC2CCC2)c(OC)c1 ZINC000297830907 456304162 /nfs/dbraw/zinc/30/41/62/456304162.db2.gz ZPKSMQOZUSQYKX-UHFFFAOYSA-N 2 2 343.471 3.282 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000340195776 456307038 /nfs/dbraw/zinc/30/70/38/456307038.db2.gz GUWHZOBDCUIYRZ-QKNQBKEWSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000340195776 456307046 /nfs/dbraw/zinc/30/70/46/456307046.db2.gz GUWHZOBDCUIYRZ-QKNQBKEWSA-N 2 2 349.478 3.217 20 0 EGADLP OC[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000281757225 456310906 /nfs/dbraw/zinc/31/09/06/456310906.db2.gz RLSSSLWEKIMEBX-NRFANRHFSA-N 2 2 333.435 3.186 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)C[C@H]1c1ccccc1 ZINC000340201620 456311635 /nfs/dbraw/zinc/31/16/35/456311635.db2.gz UVVHPXXMSNBTOD-RDJZCZTQSA-N 2 2 326.469 3.321 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)C[C@H]1c1ccccc1 ZINC000340201620 456311644 /nfs/dbraw/zinc/31/16/44/456311644.db2.gz UVVHPXXMSNBTOD-RDJZCZTQSA-N 2 2 326.469 3.321 20 0 EGADLP c1cc(N2CC[NH+](CCC[NH2+][C@H]3CCCC34CCCC4)CC2)cc[nH+]1 ZINC000340214482 456317599 /nfs/dbraw/zinc/31/75/99/456317599.db2.gz ICVMJQZDZRRQPB-FQEVSTJZSA-N 3 2 342.531 3.296 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1cccc2[nH+]ccn21 ZINC000342934037 456322888 /nfs/dbraw/zinc/32/28/88/456322888.db2.gz QEDPLALJINQMDX-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1cccc2[nH+]ccn21 ZINC000342934037 456322893 /nfs/dbraw/zinc/32/28/93/456322893.db2.gz QEDPLALJINQMDX-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000352805123 456323437 /nfs/dbraw/zinc/32/34/37/456323437.db2.gz RARLIILJYSTLMF-HOTGVXAUSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000352805123 456323442 /nfs/dbraw/zinc/32/34/42/456323442.db2.gz RARLIILJYSTLMF-HOTGVXAUSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000352805123 456323448 /nfs/dbraw/zinc/32/34/48/456323448.db2.gz RARLIILJYSTLMF-HOTGVXAUSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000352805123 456323451 /nfs/dbraw/zinc/32/34/51/456323451.db2.gz RARLIILJYSTLMF-HOTGVXAUSA-N 2 2 336.549 3.296 20 0 EGADLP CC(C)Cn1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000275827276 456325472 /nfs/dbraw/zinc/32/54/72/456325472.db2.gz WKLPFEWHQNWYRW-FQEVSTJZSA-N 2 2 341.503 3.078 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000275827276 456325477 /nfs/dbraw/zinc/32/54/77/456325477.db2.gz WKLPFEWHQNWYRW-FQEVSTJZSA-N 2 2 341.503 3.078 20 0 EGADLP CSc1cc(Br)ccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663501621 461674200 /nfs/dbraw/zinc/67/42/00/461674200.db2.gz KJOYHDBULKDZHD-UHFFFAOYSA-N 2 2 327.291 3.013 20 0 EGADLP COc1ccc(OC)c(C[N@@H+](CCc2c[nH+]cn2C)C(C)(C)C)c1 ZINC000297981218 456337207 /nfs/dbraw/zinc/33/72/07/456337207.db2.gz YDEXSUCYPVCGDZ-UHFFFAOYSA-N 2 2 331.460 3.281 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872471 456338656 /nfs/dbraw/zinc/33/86/56/456338656.db2.gz OGEAPBDJOKLQMS-OXQOHEQNSA-N 2 2 331.504 3.402 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872456 456338699 /nfs/dbraw/zinc/33/86/99/456338699.db2.gz OGEAPBDJOKLQMS-OXJNMPFZSA-N 2 2 331.504 3.402 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352853292 456365653 /nfs/dbraw/zinc/36/56/53/456365653.db2.gz NCXDAXMDZSLYDY-SFHVURJKSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352853292 456365658 /nfs/dbraw/zinc/36/56/58/456365658.db2.gz NCXDAXMDZSLYDY-SFHVURJKSA-N 2 2 335.536 3.022 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000302769306 456395264 /nfs/dbraw/zinc/39/52/64/456395264.db2.gz BLXAADIZQWQTMJ-KRWDZBQOSA-N 2 2 336.439 3.266 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000302769306 456395268 /nfs/dbraw/zinc/39/52/68/456395268.db2.gz BLXAADIZQWQTMJ-KRWDZBQOSA-N 2 2 336.439 3.266 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000347856466 456408621 /nfs/dbraw/zinc/40/86/21/456408621.db2.gz NQRFFWYQKZGLOV-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000347856466 456408623 /nfs/dbraw/zinc/40/86/23/456408623.db2.gz NQRFFWYQKZGLOV-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000347856468 456408654 /nfs/dbraw/zinc/40/86/54/456408654.db2.gz NQRFFWYQKZGLOV-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000347856468 456408656 /nfs/dbraw/zinc/40/86/56/456408656.db2.gz NQRFFWYQKZGLOV-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1SC ZINC000298330727 456426520 /nfs/dbraw/zinc/42/65/20/456426520.db2.gz IUCSTEUSAOXZCL-OIISXLGYSA-N 2 2 335.448 3.010 20 0 EGADLP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164706 456430629 /nfs/dbraw/zinc/43/06/29/456430629.db2.gz UODBUPUNNMXBLX-FFZOFVMBSA-N 2 2 337.467 3.057 20 0 EGADLP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164706 456430638 /nfs/dbraw/zinc/43/06/38/456430638.db2.gz UODBUPUNNMXBLX-FFZOFVMBSA-N 2 2 337.467 3.057 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)n1 ZINC000340390403 456433211 /nfs/dbraw/zinc/43/32/11/456433211.db2.gz RAPATTSVVOYOEO-MSOLQXFVSA-N 2 2 341.455 3.024 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)n1 ZINC000340390403 456433218 /nfs/dbraw/zinc/43/32/18/456433218.db2.gz RAPATTSVVOYOEO-MSOLQXFVSA-N 2 2 341.455 3.024 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000340389220 456433442 /nfs/dbraw/zinc/43/34/42/456433442.db2.gz FIYLLPVBFDKSAK-PXNSSMCTSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cnn3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000340389220 456433448 /nfs/dbraw/zinc/43/34/48/456433448.db2.gz FIYLLPVBFDKSAK-PXNSSMCTSA-N 2 2 334.467 3.477 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CCCC2 ZINC000340391186 456433711 /nfs/dbraw/zinc/43/37/11/456433711.db2.gz RZPRLHFWLPSOIE-FXAWDEMLSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CCCC2 ZINC000340391186 456433715 /nfs/dbraw/zinc/43/37/15/456433715.db2.gz RZPRLHFWLPSOIE-FXAWDEMLSA-N 2 2 338.499 3.224 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000340535727 456516726 /nfs/dbraw/zinc/51/67/26/456516726.db2.gz RARCBNBXYJDWPL-FXAWDEMLSA-N 2 2 341.503 3.118 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000276561409 456517075 /nfs/dbraw/zinc/51/70/75/456517075.db2.gz JAFWOOHIOAUUJY-CMDGGOBGSA-N 2 2 338.455 3.115 20 0 EGADLP CC1CC[NH+]([C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000276581096 456521382 /nfs/dbraw/zinc/52/13/82/456521382.db2.gz LQLQYNSSGDZFIN-IHHMQQGQSA-N 2 2 338.455 3.012 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000282481518 456528895 /nfs/dbraw/zinc/52/88/95/456528895.db2.gz MHWJKUXMUOOFKT-HXUWFJFHSA-N 2 2 339.483 3.052 20 0 EGADLP C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276654918 456544239 /nfs/dbraw/zinc/54/42/39/456544239.db2.gz UZROHJUUGAUTGC-WMZOPIPTSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276654918 456544245 /nfs/dbraw/zinc/54/42/45/456544245.db2.gz UZROHJUUGAUTGC-WMZOPIPTSA-N 2 2 341.503 3.033 20 0 EGADLP Cc1ccccc1-c1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)no1 ZINC000276719673 456560699 /nfs/dbraw/zinc/56/06/99/456560699.db2.gz FHQIEFCFZIANSX-UHFFFAOYSA-N 2 2 349.438 3.199 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282601385 456565230 /nfs/dbraw/zinc/56/52/30/456565230.db2.gz YAUJXTDXDTZWIQ-FQEVSTJZSA-N 3 2 340.515 3.472 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282601385 456565236 /nfs/dbraw/zinc/56/52/36/456565236.db2.gz YAUJXTDXDTZWIQ-FQEVSTJZSA-N 3 2 340.515 3.472 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000291262743 456582075 /nfs/dbraw/zinc/58/20/75/456582075.db2.gz XCMHOVBXYBUWME-NRFANRHFSA-N 2 2 342.458 3.156 20 0 EGADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C(F)F)n1 ZINC000291259893 456582263 /nfs/dbraw/zinc/58/22/63/456582263.db2.gz SCYIUQZLXGHLJT-MRXNPFEDSA-N 2 2 334.414 3.112 20 0 EGADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(C(F)F)n1 ZINC000291259893 456582269 /nfs/dbraw/zinc/58/22/69/456582269.db2.gz SCYIUQZLXGHLJT-MRXNPFEDSA-N 2 2 334.414 3.112 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)c1 ZINC000353289823 456614506 /nfs/dbraw/zinc/61/45/06/456614506.db2.gz WEYWGTDNFOCASP-UHFFFAOYSA-N 2 2 341.455 3.200 20 0 EGADLP C[C@@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276992131 456644506 /nfs/dbraw/zinc/64/45/06/456644506.db2.gz XPAUGTGZTORJGI-MJBXVCDLSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276992131 456644513 /nfs/dbraw/zinc/64/45/13/456644513.db2.gz XPAUGTGZTORJGI-MJBXVCDLSA-N 2 2 338.415 3.251 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1O ZINC000353385346 456663404 /nfs/dbraw/zinc/66/34/04/456663404.db2.gz LWSOPZKDHJODQS-HNNXBMFYSA-N 2 2 337.423 3.496 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1O ZINC000353385347 456663637 /nfs/dbraw/zinc/66/36/37/456663637.db2.gz LWSOPZKDHJODQS-OAHLLOKOSA-N 2 2 337.423 3.496 20 0 EGADLP COC(=O)[C@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000348412569 456674095 /nfs/dbraw/zinc/67/40/95/456674095.db2.gz VFVQNTLRMVTLBW-HXUWFJFHSA-N 2 2 344.430 3.182 20 0 EGADLP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085351 456675049 /nfs/dbraw/zinc/67/50/49/456675049.db2.gz FOSNPQYGICMJIL-OCCSQVGLSA-N 2 2 347.532 3.367 20 0 EGADLP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085351 456675055 /nfs/dbraw/zinc/67/50/55/456675055.db2.gz FOSNPQYGICMJIL-OCCSQVGLSA-N 2 2 347.532 3.367 20 0 EGADLP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000338184534 456691045 /nfs/dbraw/zinc/69/10/45/456691045.db2.gz CQFSEQYPODKAKS-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CN(C(=O)c1ccccc1Oc1cc[nH+]cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000338184534 456691047 /nfs/dbraw/zinc/69/10/47/456691047.db2.gz CQFSEQYPODKAKS-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000283201970 456736610 /nfs/dbraw/zinc/73/66/10/456736610.db2.gz LIOZYBWPEVWREC-FUMNGEBKSA-N 2 2 342.483 3.385 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000283201970 456736615 /nfs/dbraw/zinc/73/66/15/456736615.db2.gz LIOZYBWPEVWREC-FUMNGEBKSA-N 2 2 342.483 3.385 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)[NH+]1CCCCCC1 ZINC000338259667 456738070 /nfs/dbraw/zinc/73/80/70/456738070.db2.gz XVGLYIBBQFQQRP-QAPCUYQASA-N 2 2 349.906 3.077 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000348529610 456740575 /nfs/dbraw/zinc/74/05/75/456740575.db2.gz FVCYNEILDDUOCV-OAHLLOKOSA-N 2 2 339.443 3.296 20 0 EGADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544159 456746610 /nfs/dbraw/zinc/74/66/10/456746610.db2.gz AUQQHVLQENGWCY-ZIFCJYIRSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544159 456746613 /nfs/dbraw/zinc/74/66/13/456746613.db2.gz AUQQHVLQENGWCY-ZIFCJYIRSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544159 456746616 /nfs/dbraw/zinc/74/66/16/456746616.db2.gz AUQQHVLQENGWCY-ZIFCJYIRSA-N 2 2 349.519 3.117 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Cl)c1OC ZINC000277307099 456770913 /nfs/dbraw/zinc/77/09/13/456770913.db2.gz BJYGPGXPXAMFGB-CQSZACIVSA-N 2 2 326.868 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(Cl)c1OC ZINC000277307099 456770921 /nfs/dbraw/zinc/77/09/21/456770921.db2.gz BJYGPGXPXAMFGB-CQSZACIVSA-N 2 2 326.868 3.273 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000299714833 456772023 /nfs/dbraw/zinc/77/20/23/456772023.db2.gz REBWBYDEVLTLTB-UHFFFAOYSA-N 2 2 345.834 3.016 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000299714833 456772030 /nfs/dbraw/zinc/77/20/30/456772030.db2.gz REBWBYDEVLTLTB-UHFFFAOYSA-N 2 2 345.834 3.016 20 0 EGADLP Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)nc(C(C)C)[nH+]1 ZINC000301102195 456796889 /nfs/dbraw/zinc/79/68/89/456796889.db2.gz OMGCDQVTECPPLV-OAHLLOKOSA-N 2 2 341.459 3.141 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277378650 456801128 /nfs/dbraw/zinc/80/11/28/456801128.db2.gz YBVDHFZRNLMWFU-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277378650 456801132 /nfs/dbraw/zinc/80/11/32/456801132.db2.gz YBVDHFZRNLMWFU-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296388 456814298 /nfs/dbraw/zinc/81/42/98/456814298.db2.gz MCFNGPTWOVJKJK-QWFCFKBJSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296388 456814303 /nfs/dbraw/zinc/81/43/03/456814303.db2.gz MCFNGPTWOVJKJK-QWFCFKBJSA-N 2 2 330.516 3.285 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000344302325 456815519 /nfs/dbraw/zinc/81/55/19/456815519.db2.gz KTFOOGHKZJXACB-SFHVURJKSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000344302325 456815523 /nfs/dbraw/zinc/81/55/23/456815523.db2.gz KTFOOGHKZJXACB-SFHVURJKSA-N 2 2 340.471 3.109 20 0 EGADLP CC[C@H]1CN(CCCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000353638387 456820260 /nfs/dbraw/zinc/82/02/60/456820260.db2.gz QYBWFINLKJIFNG-FQEVSTJZSA-N 2 2 326.488 3.178 20 0 EGADLP CC[C@H]1CN(CCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000353638387 456820263 /nfs/dbraw/zinc/82/02/63/456820263.db2.gz QYBWFINLKJIFNG-FQEVSTJZSA-N 2 2 326.488 3.178 20 0 EGADLP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCN1Cc1ccccc1 ZINC000353638387 456820268 /nfs/dbraw/zinc/82/02/68/456820268.db2.gz QYBWFINLKJIFNG-FQEVSTJZSA-N 2 2 326.488 3.178 20 0 EGADLP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCN1Cc1ccccc1 ZINC000353638387 456820275 /nfs/dbraw/zinc/82/02/75/456820275.db2.gz QYBWFINLKJIFNG-FQEVSTJZSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c[nH+]1 ZINC000353658736 456837083 /nfs/dbraw/zinc/83/70/83/456837083.db2.gz QNIPDOPUSFTURX-FQEVSTJZSA-N 2 2 332.488 3.373 20 0 EGADLP C[C@@H]1CCC[C@](C[NH2+]C2CCN(Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512394 456871649 /nfs/dbraw/zinc/87/16/49/456871649.db2.gz SHXHJQJMYZDLKO-NQIIRXRSSA-N 2 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834530 456876005 /nfs/dbraw/zinc/87/60/05/456876005.db2.gz QSSFJVIBPQGHGP-YLJYHZDGSA-N 2 2 347.466 3.259 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834530 456876009 /nfs/dbraw/zinc/87/60/09/456876009.db2.gz QSSFJVIBPQGHGP-YLJYHZDGSA-N 2 2 347.466 3.259 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@H]1C ZINC000353753057 456890689 /nfs/dbraw/zinc/89/06/89/456890689.db2.gz UVEQNUPSNLQINI-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@H]1C ZINC000353753057 456890694 /nfs/dbraw/zinc/89/06/94/456890694.db2.gz UVEQNUPSNLQINI-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@H]1C ZINC000353753057 456890700 /nfs/dbraw/zinc/89/07/00/456890700.db2.gz UVEQNUPSNLQINI-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@H]1C ZINC000353753057 456890703 /nfs/dbraw/zinc/89/07/03/456890703.db2.gz UVEQNUPSNLQINI-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP COc1ccc2nc(C[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)sc2c1 ZINC000353757993 456894403 /nfs/dbraw/zinc/89/44/03/456894403.db2.gz JPWBBSVIMPLIPL-ZDUSSCGKSA-N 2 2 342.468 3.477 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353823751 456924060 /nfs/dbraw/zinc/92/40/60/456924060.db2.gz WKWNTAMTXJDWIV-WBVHZDCISA-N 2 2 335.517 3.445 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353823751 456924061 /nfs/dbraw/zinc/92/40/61/456924061.db2.gz WKWNTAMTXJDWIV-WBVHZDCISA-N 2 2 335.517 3.445 20 0 EGADLP C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349293636 456934143 /nfs/dbraw/zinc/93/41/43/456934143.db2.gz GCRCMNPRKBBAIV-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349293636 456934144 /nfs/dbraw/zinc/93/41/44/456934144.db2.gz GCRCMNPRKBBAIV-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349316784 456940419 /nfs/dbraw/zinc/94/04/19/456940419.db2.gz ORZPLYCIJVXKEA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349316784 456940421 /nfs/dbraw/zinc/94/04/21/456940421.db2.gz ORZPLYCIJVXKEA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349316784 456940423 /nfs/dbraw/zinc/94/04/23/456940423.db2.gz ORZPLYCIJVXKEA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349316784 456940426 /nfs/dbraw/zinc/94/04/26/456940426.db2.gz ORZPLYCIJVXKEA-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019115 457013951 /nfs/dbraw/zinc/01/39/51/457013951.db2.gz ULGPKMGENZYCHN-KNXALSJPSA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019115 457013957 /nfs/dbraw/zinc/01/39/57/457013957.db2.gz ULGPKMGENZYCHN-KNXALSJPSA-N 2 2 331.287 3.347 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354026387 457019299 /nfs/dbraw/zinc/01/92/99/457019299.db2.gz SIMCATVRSKEXAQ-GDBMZVCRSA-N 2 2 331.441 3.043 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354026387 457019306 /nfs/dbraw/zinc/01/93/06/457019306.db2.gz SIMCATVRSKEXAQ-GDBMZVCRSA-N 2 2 331.441 3.043 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000354035077 457023296 /nfs/dbraw/zinc/02/32/96/457023296.db2.gz VPWITAHMPVWPHB-FXAWDEMLSA-N 2 2 345.531 3.393 20 0 EGADLP CN(C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661971 457032031 /nfs/dbraw/zinc/03/20/31/457032031.db2.gz HIMXFSXAKCTQTJ-QFBILLFUSA-N 2 2 335.455 3.098 20 0 EGADLP CN(C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661971 457032034 /nfs/dbraw/zinc/03/20/34/457032034.db2.gz HIMXFSXAKCTQTJ-QFBILLFUSA-N 2 2 335.455 3.098 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000359103340 457055592 /nfs/dbraw/zinc/05/55/92/457055592.db2.gz HPMHERDTYLNGPX-OAHLLOKOSA-N 3 2 335.458 3.115 20 0 EGADLP COCCOc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000349803419 457058240 /nfs/dbraw/zinc/05/82/40/457058240.db2.gz YVMNWCSGHMVWNX-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000339387805 457084879 /nfs/dbraw/zinc/08/48/79/457084879.db2.gz QEUWBEJEZBVTJE-HZPDHXFCSA-N 2 2 346.500 3.254 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000342066587 457087854 /nfs/dbraw/zinc/08/78/54/457087854.db2.gz UWPUZFDQYFTXLW-IRXDYDNUSA-N 2 2 341.503 3.033 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346693093 457114204 /nfs/dbraw/zinc/11/42/04/457114204.db2.gz KSFGOILMTZJOCX-QWRGUYRKSA-N 2 2 329.307 3.340 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000359669446 457107875 /nfs/dbraw/zinc/10/78/75/457107875.db2.gz DBYHXMLZBWPSFD-OXQOHEQNSA-N 2 2 326.488 3.319 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346693093 457114200 /nfs/dbraw/zinc/11/42/00/457114200.db2.gz KSFGOILMTZJOCX-QWRGUYRKSA-N 2 2 329.307 3.340 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434963 457115804 /nfs/dbraw/zinc/11/58/04/457115804.db2.gz YXQFPUQPNHDECW-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434963 457115809 /nfs/dbraw/zinc/11/58/09/457115809.db2.gz YXQFPUQPNHDECW-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339434963 457115817 /nfs/dbraw/zinc/11/58/17/457115817.db2.gz YXQFPUQPNHDECW-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339434963 457115820 /nfs/dbraw/zinc/11/58/20/457115820.db2.gz YXQFPUQPNHDECW-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439276 457119223 /nfs/dbraw/zinc/11/92/23/457119223.db2.gz SXTCBIBZEMBGPS-CXAGYDPISA-N 2 2 332.473 3.277 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439276 457119226 /nfs/dbraw/zinc/11/92/26/457119226.db2.gz SXTCBIBZEMBGPS-CXAGYDPISA-N 2 2 332.473 3.277 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339439276 457119237 /nfs/dbraw/zinc/11/92/37/457119237.db2.gz SXTCBIBZEMBGPS-CXAGYDPISA-N 2 2 332.473 3.277 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339439276 457119244 /nfs/dbraw/zinc/11/92/44/457119244.db2.gz SXTCBIBZEMBGPS-CXAGYDPISA-N 2 2 332.473 3.277 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc2n1C ZINC000356698683 457122739 /nfs/dbraw/zinc/12/27/39/457122739.db2.gz NUNDNBJCVNBUKR-UHFFFAOYSA-N 2 2 330.476 3.073 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cc1O ZINC000359878299 457138159 /nfs/dbraw/zinc/13/81/59/457138159.db2.gz QQJXQKFDYHFLGH-INIZCTEOSA-N 2 2 329.444 3.385 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cc1O ZINC000359878299 457138162 /nfs/dbraw/zinc/13/81/62/457138162.db2.gz QQJXQKFDYHFLGH-INIZCTEOSA-N 2 2 329.444 3.385 20 0 EGADLP C[C@H]1CCC[N@H+](CCCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346743186 457143174 /nfs/dbraw/zinc/14/31/74/457143174.db2.gz NZHGLVQTJQAWRE-KRWDZBQOSA-N 2 2 331.508 3.391 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346743186 457143181 /nfs/dbraw/zinc/14/31/81/457143181.db2.gz NZHGLVQTJQAWRE-KRWDZBQOSA-N 2 2 331.508 3.391 20 0 EGADLP C[C@H]1CCC[N@H+](CCCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346743186 457143183 /nfs/dbraw/zinc/14/31/83/457143183.db2.gz NZHGLVQTJQAWRE-KRWDZBQOSA-N 2 2 331.508 3.391 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346743186 457143190 /nfs/dbraw/zinc/14/31/90/457143190.db2.gz NZHGLVQTJQAWRE-KRWDZBQOSA-N 2 2 331.508 3.391 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1C ZINC000362958916 457175289 /nfs/dbraw/zinc/17/52/89/457175289.db2.gz UBWYWCJTEBPMLG-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1C ZINC000362958916 457175294 /nfs/dbraw/zinc/17/52/94/457175294.db2.gz UBWYWCJTEBPMLG-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nn1C ZINC000362958916 457175299 /nfs/dbraw/zinc/17/52/99/457175299.db2.gz UBWYWCJTEBPMLG-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nn1C ZINC000362958916 457175302 /nfs/dbraw/zinc/17/53/02/457175302.db2.gz UBWYWCJTEBPMLG-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP OC[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Cl ZINC000342270815 457201848 /nfs/dbraw/zinc/20/18/48/457201848.db2.gz BYGPSCISQUTRTQ-ZDUSSCGKSA-N 2 2 347.871 3.453 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342304418 457225733 /nfs/dbraw/zinc/22/57/33/457225733.db2.gz IGBRURZVGJJCEJ-YLJYHZDGSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342304418 457225740 /nfs/dbraw/zinc/22/57/40/457225740.db2.gz IGBRURZVGJJCEJ-YLJYHZDGSA-N 2 2 338.499 3.290 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H]2CCCC[C@@H]2C[NH+](CC)CC)c1 ZINC000354453485 457232228 /nfs/dbraw/zinc/23/22/28/457232228.db2.gz DKGUPUQJYMAYJX-QAPCUYQASA-N 2 2 336.476 3.447 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC000360079280 457244143 /nfs/dbraw/zinc/24/41/43/457244143.db2.gz MXGNLXHYBBYQER-GJZGRUSLSA-N 2 2 329.444 3.437 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000360167443 457286068 /nfs/dbraw/zinc/28/60/68/457286068.db2.gz YCEIZWCNKTXXCB-IAGOWNOFSA-N 2 2 341.503 3.348 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038388 457291036 /nfs/dbraw/zinc/29/10/36/457291036.db2.gz MIVNXSASXPHKQE-KSZLIROESA-N 2 2 331.504 3.281 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038388 457291042 /nfs/dbraw/zinc/29/10/42/457291042.db2.gz MIVNXSASXPHKQE-KSZLIROESA-N 2 2 331.504 3.281 20 0 EGADLP CC[NH+](CCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038388 457291045 /nfs/dbraw/zinc/29/10/45/457291045.db2.gz MIVNXSASXPHKQE-KSZLIROESA-N 2 2 331.504 3.281 20 0 EGADLP CC[NH+](CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038388 457291050 /nfs/dbraw/zinc/29/10/50/457291050.db2.gz MIVNXSASXPHKQE-KSZLIROESA-N 2 2 331.504 3.281 20 0 EGADLP CCc1nc(NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc(C)[nH+]1 ZINC000340021023 457320792 /nfs/dbraw/zinc/32/07/92/457320792.db2.gz YZRKZFNAXDSEIS-UHFFFAOYSA-N 2 2 325.391 3.015 20 0 EGADLP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000363451090 457333557 /nfs/dbraw/zinc/33/35/57/457333557.db2.gz WKEUBJOJMBAFHX-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000363451090 457333565 /nfs/dbraw/zinc/33/35/65/457333565.db2.gz WKEUBJOJMBAFHX-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000363451090 457333570 /nfs/dbraw/zinc/33/35/70/457333570.db2.gz WKEUBJOJMBAFHX-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000363451090 457333577 /nfs/dbraw/zinc/33/35/77/457333577.db2.gz WKEUBJOJMBAFHX-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP COc1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000352439109 457367009 /nfs/dbraw/zinc/36/70/09/457367009.db2.gz JQBGIPCRQSOCMD-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000352439109 457367011 /nfs/dbraw/zinc/36/70/11/457367011.db2.gz JQBGIPCRQSOCMD-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000352439109 457367012 /nfs/dbraw/zinc/36/70/12/457367012.db2.gz JQBGIPCRQSOCMD-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000352439109 457367014 /nfs/dbraw/zinc/36/70/14/457367014.db2.gz JQBGIPCRQSOCMD-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc(C)c1F ZINC000360895396 457417006 /nfs/dbraw/zinc/41/70/06/457417006.db2.gz VOYLDWVMDWSKTE-AEFFLSMTSA-N 2 2 349.494 3.036 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc(C)c1F ZINC000360895396 457417012 /nfs/dbraw/zinc/41/70/12/457417012.db2.gz VOYLDWVMDWSKTE-AEFFLSMTSA-N 2 2 349.494 3.036 20 0 EGADLP C[C@H]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c2ccccc2S1 ZINC000352507414 457426312 /nfs/dbraw/zinc/42/63/12/457426312.db2.gz CFGDTFDPFHSDBK-JKSUJKDBSA-N 2 2 347.528 3.107 20 0 EGADLP C[C@H]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c2ccccc2S1 ZINC000352507414 457426315 /nfs/dbraw/zinc/42/63/15/457426315.db2.gz CFGDTFDPFHSDBK-JKSUJKDBSA-N 2 2 347.528 3.107 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389805171 457436008 /nfs/dbraw/zinc/43/60/08/457436008.db2.gz AHYXLPOVVWZHNL-WQUXRXDGSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389805171 457436020 /nfs/dbraw/zinc/43/60/20/457436020.db2.gz AHYXLPOVVWZHNL-WQUXRXDGSA-N 2 2 344.499 3.218 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc4[nH+]ccn4c3)cc2)c1C ZINC000360932331 457442529 /nfs/dbraw/zinc/44/25/29/457442529.db2.gz UFBAEUWVMQKWSV-UHFFFAOYSA-N 2 2 331.379 3.389 20 0 EGADLP COc1sc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1Br ZINC000352533833 457445050 /nfs/dbraw/zinc/44/50/50/457445050.db2.gz ACJHOESBGAPKDH-SNVBAGLBSA-N 2 2 333.295 3.223 20 0 EGADLP COc1sc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1Br ZINC000352533833 457445055 /nfs/dbraw/zinc/44/50/55/457445055.db2.gz ACJHOESBGAPKDH-SNVBAGLBSA-N 2 2 333.295 3.223 20 0 EGADLP CC[C@H](C[NH2+]Cc1cn(C)nc1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000360963789 457470208 /nfs/dbraw/zinc/47/02/08/457470208.db2.gz GCDWDVUSWCUEOL-QGZVFWFLSA-N 2 2 348.441 3.284 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000394770945 457473468 /nfs/dbraw/zinc/47/34/68/457473468.db2.gz YBOSLTXLWMPOPV-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000394770945 457473470 /nfs/dbraw/zinc/47/34/70/457473470.db2.gz YBOSLTXLWMPOPV-LBPRGKRZSA-N 2 2 329.257 3.408 20 0 EGADLP COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339562 457504936 /nfs/dbraw/zinc/50/49/36/457504936.db2.gz CQWJDMBJWFOLAL-KBXCAEBGSA-N 2 2 328.460 3.078 20 0 EGADLP COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339562 457504942 /nfs/dbraw/zinc/50/49/42/457504942.db2.gz CQWJDMBJWFOLAL-KBXCAEBGSA-N 2 2 328.460 3.078 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000370040315 457513756 /nfs/dbraw/zinc/51/37/56/457513756.db2.gz JORIXBJLKLDURX-OAHLLOKOSA-N 2 2 342.487 3.142 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000357435711 457523927 /nfs/dbraw/zinc/52/39/27/457523927.db2.gz FGOQQMFDULVIRP-QGZVFWFLSA-N 2 2 334.423 3.185 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000357435711 457523940 /nfs/dbraw/zinc/52/39/40/457523940.db2.gz FGOQQMFDULVIRP-QGZVFWFLSA-N 2 2 334.423 3.185 20 0 EGADLP c1cc(C[NH+]2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)ccn1 ZINC000425370145 457524609 /nfs/dbraw/zinc/52/46/09/457524609.db2.gz NLXLPRAPYQQYGA-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342793744 457531677 /nfs/dbraw/zinc/53/16/77/457531677.db2.gz JDBCHPAUMZBAEA-DLBZAZTESA-N 2 2 342.549 3.058 20 0 EGADLP COC(=O)[C@@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000425402734 457536425 /nfs/dbraw/zinc/53/64/25/457536425.db2.gz GTYJRUORVDHMRM-FQEVSTJZSA-N 2 2 344.499 3.284 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404278229 457540660 /nfs/dbraw/zinc/54/06/60/457540660.db2.gz OCYWSYLRVFFOSB-CJNGLKHVSA-N 2 2 337.895 3.345 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404278229 457540665 /nfs/dbraw/zinc/54/06/65/457540665.db2.gz OCYWSYLRVFFOSB-CJNGLKHVSA-N 2 2 337.895 3.345 20 0 EGADLP Cc1[nH+]cc(CNc2cc[nH+]cc2Br)n1-c1ccccc1 ZINC000342856187 457560016 /nfs/dbraw/zinc/56/00/16/457560016.db2.gz WNQMMOIVQIBXRN-UHFFFAOYSA-N 2 2 343.228 3.372 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)s1 ZINC000352730826 457565437 /nfs/dbraw/zinc/56/54/37/457565437.db2.gz GIVGVERELSUWAB-UHFFFAOYSA-N 2 2 337.876 3.083 20 0 EGADLP Cc1ncccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374282245 457567474 /nfs/dbraw/zinc/56/74/74/457567474.db2.gz DNRIUNMUBWGDBP-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1ncccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374282245 457567476 /nfs/dbraw/zinc/56/74/76/457567476.db2.gz DNRIUNMUBWGDBP-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166372 457572634 /nfs/dbraw/zinc/57/26/34/457572634.db2.gz CNCOVPUJFMMGNY-MSOLQXFVSA-N 2 2 340.471 3.247 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166372 457572636 /nfs/dbraw/zinc/57/26/36/457572636.db2.gz CNCOVPUJFMMGNY-MSOLQXFVSA-N 2 2 340.471 3.247 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000425591450 457606664 /nfs/dbraw/zinc/60/66/64/457606664.db2.gz ZGXMYKYJZRXHNZ-UHFFFAOYSA-N 2 2 341.480 3.500 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361137615 457608006 /nfs/dbraw/zinc/60/80/06/457608006.db2.gz ZNSXZGSWHFQWDC-XJKSGUPXSA-N 2 2 334.414 3.110 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361137615 457608008 /nfs/dbraw/zinc/60/80/08/457608008.db2.gz ZNSXZGSWHFQWDC-XJKSGUPXSA-N 2 2 334.414 3.110 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000370310251 457616571 /nfs/dbraw/zinc/61/65/71/457616571.db2.gz YAZVEJGWVBRZJQ-CRAIPNDOSA-N 2 2 344.890 3.439 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000370310251 457616574 /nfs/dbraw/zinc/61/65/74/457616574.db2.gz YAZVEJGWVBRZJQ-CRAIPNDOSA-N 2 2 344.890 3.439 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000361178090 457631332 /nfs/dbraw/zinc/63/13/32/457631332.db2.gz KLNIQRNOIRFCMS-HNNXBMFYSA-N 2 2 340.462 3.302 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000361178090 457631339 /nfs/dbraw/zinc/63/13/39/457631339.db2.gz KLNIQRNOIRFCMS-HNNXBMFYSA-N 2 2 340.462 3.302 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646882 457639032 /nfs/dbraw/zinc/63/90/32/457639032.db2.gz ITZWFLIWHOPNBS-GFCCVEGCSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646882 457639035 /nfs/dbraw/zinc/63/90/35/457639035.db2.gz ITZWFLIWHOPNBS-GFCCVEGCSA-N 2 2 331.287 3.443 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H]([NH+](CC)CC)C1 ZINC000361238596 457662351 /nfs/dbraw/zinc/66/23/51/457662351.db2.gz UZNYVJANZZWFLD-OAHLLOKOSA-N 2 2 341.455 3.332 20 0 EGADLP Clc1ccccc1CN1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000361458532 457738258 /nfs/dbraw/zinc/73/82/58/457738258.db2.gz ZVFPBJXOKGXSKQ-KRWDZBQOSA-N 2 2 344.890 3.106 20 0 EGADLP C[NH+](C)CC1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000358013935 457739724 /nfs/dbraw/zinc/73/97/24/457739724.db2.gz MFTKRPUARHNWCI-UHFFFAOYSA-N 2 2 339.439 3.288 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019166 457741357 /nfs/dbraw/zinc/74/13/57/457741357.db2.gz RZUWKXQTKYUBQE-GUYCJALGSA-N 2 2 335.879 3.131 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019166 457741362 /nfs/dbraw/zinc/74/13/62/457741362.db2.gz RZUWKXQTKYUBQE-GUYCJALGSA-N 2 2 335.879 3.131 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)ccc2[nH+]1 ZINC000443585943 457784470 /nfs/dbraw/zinc/78/44/70/457784470.db2.gz ZJGJGKWVJWEPOE-QGZVFWFLSA-N 2 2 343.475 3.275 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@@H+]3CC(C)C)ccc2[nH+]1 ZINC000443585943 457784478 /nfs/dbraw/zinc/78/44/78/457784478.db2.gz ZJGJGKWVJWEPOE-QGZVFWFLSA-N 2 2 343.475 3.275 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161858 457826334 /nfs/dbraw/zinc/82/63/34/457826334.db2.gz RMZPTCOIBOFADI-GDBMZVCRSA-N 2 2 330.501 3.068 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161858 457826339 /nfs/dbraw/zinc/82/63/39/457826339.db2.gz RMZPTCOIBOFADI-GDBMZVCRSA-N 2 2 330.501 3.068 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1OC(F)F ZINC000366532603 457841097 /nfs/dbraw/zinc/84/10/97/457841097.db2.gz DSBCPSHUYTVCAM-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1OC(F)F ZINC000366532603 457841104 /nfs/dbraw/zinc/84/11/04/457841104.db2.gz DSBCPSHUYTVCAM-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1OC(F)F ZINC000366532603 457841110 /nfs/dbraw/zinc/84/11/10/457841110.db2.gz DSBCPSHUYTVCAM-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1OC(F)F ZINC000366532603 457841114 /nfs/dbraw/zinc/84/11/14/457841114.db2.gz DSBCPSHUYTVCAM-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1C(F)(F)F ZINC000371294721 457853273 /nfs/dbraw/zinc/85/32/73/457853273.db2.gz MRZKURDQSIRQRM-DJIMGWMZSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C(F)(F)F ZINC000371294721 457853277 /nfs/dbraw/zinc/85/32/77/457853277.db2.gz MRZKURDQSIRQRM-DJIMGWMZSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301181 457854932 /nfs/dbraw/zinc/85/49/32/457854932.db2.gz SPIZRRALZUHLPA-IXDOHACOSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301181 457854934 /nfs/dbraw/zinc/85/49/34/457854934.db2.gz SPIZRRALZUHLPA-IXDOHACOSA-N 2 2 342.405 3.389 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375268207 457858148 /nfs/dbraw/zinc/85/81/48/457858148.db2.gz SVTNOEAFZFMTDM-CYBMUJFWSA-N 2 2 346.862 3.380 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321389 457865133 /nfs/dbraw/zinc/86/51/33/457865133.db2.gz QAISICSXEXXFCR-MSOLQXFVSA-N 2 2 349.906 3.205 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321389 457865139 /nfs/dbraw/zinc/86/51/39/457865139.db2.gz QAISICSXEXXFCR-MSOLQXFVSA-N 2 2 349.906 3.205 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000366900002 457908225 /nfs/dbraw/zinc/90/82/25/457908225.db2.gz JFQSZQJAZCQOOM-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366900002 457908230 /nfs/dbraw/zinc/90/82/30/457908230.db2.gz JFQSZQJAZCQOOM-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ncnn2-c2ccccc2)[nH+]1 ZINC000366896126 457908271 /nfs/dbraw/zinc/90/82/71/457908271.db2.gz LKHMNUDDSMKVIE-GOSISDBHSA-N 2 2 348.454 3.047 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ncnn2-c2ccccc2)[nH+]1 ZINC000366896126 457908276 /nfs/dbraw/zinc/90/82/76/457908276.db2.gz LKHMNUDDSMKVIE-GOSISDBHSA-N 2 2 348.454 3.047 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1nc2c(s1)CCCC2 ZINC000358305526 457923294 /nfs/dbraw/zinc/92/32/94/457923294.db2.gz VFIQJGIHDFGZBX-XKQJLSEDSA-N 2 2 349.544 3.050 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877347 457924603 /nfs/dbraw/zinc/92/46/03/457924603.db2.gz MSYVTENODOXXCJ-UZLBHIALSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877347 457924612 /nfs/dbraw/zinc/92/46/12/457924612.db2.gz MSYVTENODOXXCJ-UZLBHIALSA-N 2 2 328.431 3.113 20 0 EGADLP CC1(C)C[S@@](=O)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411603408 457927367 /nfs/dbraw/zinc/92/73/67/457927367.db2.gz MDFPZVKCEYCXCC-QHCPKHFHSA-N 2 2 334.529 3.015 20 0 EGADLP CC1(C)C[S@@](=O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411603408 457927370 /nfs/dbraw/zinc/92/73/70/457927370.db2.gz MDFPZVKCEYCXCC-QHCPKHFHSA-N 2 2 334.529 3.015 20 0 EGADLP CCc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000434008594 457931285 /nfs/dbraw/zinc/93/12/85/457931285.db2.gz OTWHIQCIAOEGQG-YJBOKZPZSA-N 2 2 330.501 3.225 20 0 EGADLP CCc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)s1 ZINC000434008594 457931288 /nfs/dbraw/zinc/93/12/88/457931288.db2.gz OTWHIQCIAOEGQG-YJBOKZPZSA-N 2 2 330.501 3.225 20 0 EGADLP CCc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)s1 ZINC000434008594 457931292 /nfs/dbraw/zinc/93/12/92/457931292.db2.gz OTWHIQCIAOEGQG-YJBOKZPZSA-N 2 2 330.501 3.225 20 0 EGADLP CCc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1 ZINC000434008594 457931299 /nfs/dbraw/zinc/93/12/99/457931299.db2.gz OTWHIQCIAOEGQG-YJBOKZPZSA-N 2 2 330.501 3.225 20 0 EGADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CCCCC2)n1 ZINC000367614853 457968438 /nfs/dbraw/zinc/96/84/38/457968438.db2.gz JEZXYGKILAAMFN-LPHOPBHVSA-N 2 2 346.519 3.122 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@H](N[C@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873398 457991746 /nfs/dbraw/zinc/99/17/46/457991746.db2.gz JOCYSTXESRZLDO-DOTOQJQBSA-N 2 2 341.421 3.048 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@H](N[C@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873398 457991752 /nfs/dbraw/zinc/99/17/52/457991752.db2.gz JOCYSTXESRZLDO-DOTOQJQBSA-N 2 2 341.421 3.048 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000371570421 457992986 /nfs/dbraw/zinc/99/29/86/457992986.db2.gz HNCSIIPROUXHLA-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000371570421 457992993 /nfs/dbraw/zinc/99/29/93/457992993.db2.gz HNCSIIPROUXHLA-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000361990180 457994604 /nfs/dbraw/zinc/99/46/04/457994604.db2.gz ZWSFYOSQYWPFPD-IBGZPJMESA-N 2 2 349.413 3.403 20 0 EGADLP Cc1nc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(C)s1 ZINC000434741568 458043905 /nfs/dbraw/zinc/04/39/05/458043905.db2.gz GUZWCKXLSYWIMI-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(C)s1 ZINC000434741568 458043910 /nfs/dbraw/zinc/04/39/10/458043910.db2.gz GUZWCKXLSYWIMI-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C)s1 ZINC000434741568 458043919 /nfs/dbraw/zinc/04/39/19/458043919.db2.gz GUZWCKXLSYWIMI-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C)s1 ZINC000434741568 458043925 /nfs/dbraw/zinc/04/39/25/458043925.db2.gz GUZWCKXLSYWIMI-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428030952 458068153 /nfs/dbraw/zinc/06/81/53/458068153.db2.gz FYQNGEUVXIYENI-SXLOBPIMSA-N 2 2 335.451 3.050 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428030952 458068161 /nfs/dbraw/zinc/06/81/61/458068161.db2.gz FYQNGEUVXIYENI-SXLOBPIMSA-N 2 2 335.451 3.050 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031496 458069071 /nfs/dbraw/zinc/06/90/71/458069071.db2.gz LBCLMVQPFRMIHI-LZLYRXPVSA-N 2 2 329.488 3.129 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031496 458069075 /nfs/dbraw/zinc/06/90/75/458069075.db2.gz LBCLMVQPFRMIHI-LZLYRXPVSA-N 2 2 329.488 3.129 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000375863841 458100808 /nfs/dbraw/zinc/10/08/08/458100808.db2.gz YQWYDESKRPCKMQ-MRXNPFEDSA-N 2 2 343.475 3.019 20 0 EGADLP Fc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000428284264 458113809 /nfs/dbraw/zinc/11/38/09/458113809.db2.gz XNVIUGOTOUWPTD-OAHLLOKOSA-N 2 2 340.870 3.066 20 0 EGADLP Fc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000428284264 458113815 /nfs/dbraw/zinc/11/38/15/458113815.db2.gz XNVIUGOTOUWPTD-OAHLLOKOSA-N 2 2 340.870 3.066 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000435368686 458119864 /nfs/dbraw/zinc/11/98/64/458119864.db2.gz BMZYDXYQVIUXBC-UHFFFAOYSA-N 2 2 347.466 3.118 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374681 458124507 /nfs/dbraw/zinc/12/45/07/458124507.db2.gz JQOLRLBBWCIOHB-YPMHNXCESA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374681 458124514 /nfs/dbraw/zinc/12/45/14/458124514.db2.gz JQOLRLBBWCIOHB-YPMHNXCESA-N 2 2 349.276 3.008 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000428423239 458138692 /nfs/dbraw/zinc/13/86/92/458138692.db2.gz TURLZUJGBQDLDS-IRXDYDNUSA-N 2 2 348.535 3.097 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C[N@@H+]1C1CC1 ZINC000428570447 458171535 /nfs/dbraw/zinc/17/15/35/458171535.db2.gz YFAFUJUIFSNSCZ-KYPFXXDHSA-N 2 2 346.490 3.114 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C[N@H+]1C1CC1 ZINC000428570447 458171542 /nfs/dbraw/zinc/17/15/42/458171542.db2.gz YFAFUJUIFSNSCZ-KYPFXXDHSA-N 2 2 346.490 3.114 20 0 EGADLP Cc1ccc2[nH+]c(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cn2c1 ZINC000435614030 458173175 /nfs/dbraw/zinc/17/31/75/458173175.db2.gz DKYDXOYJRGGJST-HXUWFJFHSA-N 2 2 349.482 3.182 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753993 458194048 /nfs/dbraw/zinc/19/40/48/458194048.db2.gz MNRBPJPRFBDSMI-ROUUACIJSA-N 2 2 327.476 3.138 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753993 458194052 /nfs/dbraw/zinc/19/40/52/458194052.db2.gz MNRBPJPRFBDSMI-ROUUACIJSA-N 2 2 327.476 3.138 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000372168884 458217343 /nfs/dbraw/zinc/21/73/43/458217343.db2.gz BRRGAGXBBNWKNF-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000372168884 458217352 /nfs/dbraw/zinc/21/73/52/458217352.db2.gz BRRGAGXBBNWKNF-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372168884 458217360 /nfs/dbraw/zinc/21/73/60/458217360.db2.gz BRRGAGXBBNWKNF-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP c1cn(C2CCCC2)nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000372168884 458217367 /nfs/dbraw/zinc/21/73/67/458217367.db2.gz BRRGAGXBBNWKNF-OXQOHEQNSA-N 2 2 328.504 3.447 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000435886079 458217948 /nfs/dbraw/zinc/21/79/48/458217948.db2.gz RVQSKKIRBYHGFV-AWEZNQCLSA-N 2 2 344.240 3.038 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000435886079 458217953 /nfs/dbraw/zinc/21/79/53/458217953.db2.gz RVQSKKIRBYHGFV-AWEZNQCLSA-N 2 2 344.240 3.038 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)c1 ZINC000362504298 458226325 /nfs/dbraw/zinc/22/63/25/458226325.db2.gz GQSGHUMKXGXKTN-UHFFFAOYSA-N 2 2 335.810 3.205 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000459064262 458256910 /nfs/dbraw/zinc/25/69/10/458256910.db2.gz SBTKJINQGXKGQO-INIZCTEOSA-N 2 2 349.523 3.118 20 0 EGADLP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000447397686 458293217 /nfs/dbraw/zinc/29/32/17/458293217.db2.gz PYSYBJDXIMFGAH-KRWDZBQOSA-N 2 2 335.455 3.032 20 0 EGADLP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000447397686 458293221 /nfs/dbraw/zinc/29/32/21/458293221.db2.gz PYSYBJDXIMFGAH-KRWDZBQOSA-N 2 2 335.455 3.032 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000459336668 458333910 /nfs/dbraw/zinc/33/39/10/458333910.db2.gz DKIGLAIXPHHBHS-UHFFFAOYSA-N 2 2 341.434 3.056 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000459336668 458333914 /nfs/dbraw/zinc/33/39/14/458333914.db2.gz DKIGLAIXPHHBHS-UHFFFAOYSA-N 2 2 341.434 3.056 20 0 EGADLP CC1(C)C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702060 458360713 /nfs/dbraw/zinc/36/07/13/458360713.db2.gz XVTBHWYYWVFLHK-SFHVURJKSA-N 2 2 334.529 3.105 20 0 EGADLP CC1(C)C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702060 458360718 /nfs/dbraw/zinc/36/07/18/458360718.db2.gz XVTBHWYYWVFLHK-SFHVURJKSA-N 2 2 334.529 3.105 20 0 EGADLP CC1(C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702060 458360724 /nfs/dbraw/zinc/36/07/24/458360724.db2.gz XVTBHWYYWVFLHK-SFHVURJKSA-N 2 2 334.529 3.105 20 0 EGADLP CC1(C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429702060 458360728 /nfs/dbraw/zinc/36/07/28/458360728.db2.gz XVTBHWYYWVFLHK-SFHVURJKSA-N 2 2 334.529 3.105 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H](C)C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000376681431 458368542 /nfs/dbraw/zinc/36/85/42/458368542.db2.gz QWWKBCAGAYKFJN-SJORKVTESA-N 2 2 346.519 3.056 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000376697650 458371659 /nfs/dbraw/zinc/37/16/59/458371659.db2.gz ZBWPQFMEBCTPIX-GOSISDBHSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000376697650 458371664 /nfs/dbraw/zinc/37/16/64/458371664.db2.gz ZBWPQFMEBCTPIX-GOSISDBHSA-N 2 2 338.455 3.437 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000373050568 458386198 /nfs/dbraw/zinc/38/61/98/458386198.db2.gz ZMUJWIPEOWYSDS-UIAACRFSSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000373050568 458386200 /nfs/dbraw/zinc/38/62/00/458386200.db2.gz ZMUJWIPEOWYSDS-UIAACRFSSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124935 458405680 /nfs/dbraw/zinc/40/56/80/458405680.db2.gz RYYFXHBPGVZXBO-KEYYUXOJSA-N 2 2 332.879 3.150 20 0 EGADLP C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124935 458405683 /nfs/dbraw/zinc/40/56/83/458405683.db2.gz RYYFXHBPGVZXBO-KEYYUXOJSA-N 2 2 332.879 3.150 20 0 EGADLP C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124933 458405828 /nfs/dbraw/zinc/40/58/28/458405828.db2.gz RYYFXHBPGVZXBO-JKIFEVAISA-N 2 2 332.879 3.150 20 0 EGADLP C[C@H]1C[C@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124933 458405833 /nfs/dbraw/zinc/40/58/33/458405833.db2.gz RYYFXHBPGVZXBO-JKIFEVAISA-N 2 2 332.879 3.150 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430142243 458409009 /nfs/dbraw/zinc/40/90/09/458409009.db2.gz BKIPCOYZQNZCSW-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430142243 458409014 /nfs/dbraw/zinc/40/90/14/458409014.db2.gz BKIPCOYZQNZCSW-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000430142243 458409020 /nfs/dbraw/zinc/40/90/20/458409020.db2.gz BKIPCOYZQNZCSW-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000430142243 458409023 /nfs/dbraw/zinc/40/90/23/458409023.db2.gz BKIPCOYZQNZCSW-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)oc21 ZINC000373224355 458435576 /nfs/dbraw/zinc/43/55/76/458435576.db2.gz SLPUSOCSIJJBTQ-USXIJHARSA-N 2 2 344.455 3.345 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)oc21 ZINC000373224355 458435579 /nfs/dbraw/zinc/43/55/79/458435579.db2.gz SLPUSOCSIJJBTQ-USXIJHARSA-N 2 2 344.455 3.345 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000373234931 458439018 /nfs/dbraw/zinc/43/90/18/458439018.db2.gz ZYOKTIAXSCAQSN-QGZVFWFLSA-N 2 2 349.438 3.382 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000373234931 458439023 /nfs/dbraw/zinc/43/90/23/458439023.db2.gz ZYOKTIAXSCAQSN-QGZVFWFLSA-N 2 2 349.438 3.382 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423505120 458445708 /nfs/dbraw/zinc/44/57/08/458445708.db2.gz GMYFUUUXGBRDDD-SJLPKXTDSA-N 2 2 349.931 3.179 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000437350006 458447599 /nfs/dbraw/zinc/44/75/99/458447599.db2.gz ZIVOWPCNSPKILD-OJAHFUOMSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000437350006 458447601 /nfs/dbraw/zinc/44/76/01/458447601.db2.gz ZIVOWPCNSPKILD-OJAHFUOMSA-N 2 2 344.499 3.218 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000423510488 458447886 /nfs/dbraw/zinc/44/78/86/458447886.db2.gz SIRRZCSPRVHQEV-RTBURBONSA-N 2 2 338.430 3.490 20 0 EGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423516012 458448965 /nfs/dbraw/zinc/44/89/65/458448965.db2.gz AKTDXGRMXOAKNK-GGPKGHCWSA-N 3 2 329.532 3.394 20 0 EGADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@H]3C[NH2+]CCO3)cc2)c1 ZINC000423530868 458452804 /nfs/dbraw/zinc/45/28/04/458452804.db2.gz XMDOGRRBEGGQQT-LAUBAEHRSA-N 2 2 340.467 3.213 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC23CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423548206 458455686 /nfs/dbraw/zinc/45/56/86/458455686.db2.gz DUHKPVPNMXLHNT-LJQANCHMSA-N 3 2 327.516 3.292 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000430567972 458461896 /nfs/dbraw/zinc/46/18/96/458461896.db2.gz BSIZHQNKZSLQCK-VBQJREDUSA-N 2 2 337.533 3.011 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000430567972 458461898 /nfs/dbraw/zinc/46/18/98/458461898.db2.gz BSIZHQNKZSLQCK-VBQJREDUSA-N 2 2 337.533 3.011 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000430563916 458462187 /nfs/dbraw/zinc/46/21/87/458462187.db2.gz XZQSQXPWUVYPLN-LLVKDONJSA-N 2 2 346.302 3.087 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000430563916 458462188 /nfs/dbraw/zinc/46/21/88/458462188.db2.gz XZQSQXPWUVYPLN-LLVKDONJSA-N 2 2 346.302 3.087 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573945 458463939 /nfs/dbraw/zinc/46/39/39/458463939.db2.gz RQXAAZVRBUVVQI-SOUVJXGZSA-N 2 2 337.895 3.343 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573945 458463942 /nfs/dbraw/zinc/46/39/42/458463942.db2.gz RQXAAZVRBUVVQI-SOUVJXGZSA-N 2 2 337.895 3.343 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588826 458468370 /nfs/dbraw/zinc/46/83/70/458468370.db2.gz GGHPJQLQOSBTTR-CRAIPNDOSA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588826 458468373 /nfs/dbraw/zinc/46/83/73/458468373.db2.gz GGHPJQLQOSBTTR-CRAIPNDOSA-N 2 2 327.472 3.472 20 0 EGADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000423655572 458468590 /nfs/dbraw/zinc/46/85/90/458468590.db2.gz VKBRFXMTCHTEOG-NHYWBVRUSA-N 2 2 331.803 3.089 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430609558 458470317 /nfs/dbraw/zinc/47/03/17/458470317.db2.gz HJXJCQOOOQYQMR-KRWDZBQOSA-N 2 2 329.488 3.023 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430609558 458470322 /nfs/dbraw/zinc/47/03/22/458470322.db2.gz HJXJCQOOOQYQMR-KRWDZBQOSA-N 2 2 329.488 3.023 20 0 EGADLP Cn1c2ccc(NC(=O)C3([NH3+])CCCCC3)cc2[nH+]c1C(C)(C)C ZINC000423811185 458488801 /nfs/dbraw/zinc/48/88/01/458488801.db2.gz NEDHUEUWAQWJAT-UHFFFAOYSA-N 2 2 328.460 3.471 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000423818417 458490372 /nfs/dbraw/zinc/49/03/72/458490372.db2.gz ZZPHQISMWVHWJX-INIZCTEOSA-N 2 2 334.423 3.132 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000430952172 458509793 /nfs/dbraw/zinc/50/97/93/458509793.db2.gz OVSYKWIRYCREFJ-LLVKDONJSA-N 2 2 334.489 3.006 20 0 EGADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430968255 458512369 /nfs/dbraw/zinc/51/23/69/458512369.db2.gz WKGWECVOUMOUPW-XQQFMLRXSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430968255 458512375 /nfs/dbraw/zinc/51/23/75/458512375.db2.gz WKGWECVOUMOUPW-XQQFMLRXSA-N 2 2 343.393 3.092 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC000431065769 458522863 /nfs/dbraw/zinc/52/28/63/458522863.db2.gz KGSVAGHLHQCWOP-MRXNPFEDSA-N 2 2 339.443 3.472 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC000431065769 458522867 /nfs/dbraw/zinc/52/28/67/458522867.db2.gz KGSVAGHLHQCWOP-MRXNPFEDSA-N 2 2 339.443 3.472 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000377827799 458542757 /nfs/dbraw/zinc/54/27/57/458542757.db2.gz ZXTOPASJICGPJH-HNNXBMFYSA-N 2 2 341.846 3.249 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000377827799 458542764 /nfs/dbraw/zinc/54/27/64/458542764.db2.gz ZXTOPASJICGPJH-HNNXBMFYSA-N 2 2 341.846 3.249 20 0 EGADLP Cc1ccc2c(C)cc(N3CCC(C[NH+]4CCOCC4)CC3)[nH+]c2c1 ZINC000460957285 458542874 /nfs/dbraw/zinc/54/28/74/458542874.db2.gz HYMQLCQSVYGVSM-UHFFFAOYSA-N 2 2 339.483 3.400 20 0 EGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+](C)Cc1ccccc1 ZINC000493929622 458600705 /nfs/dbraw/zinc/60/07/05/458600705.db2.gz ZBTGIARCXQOTLI-OJAHFUOMSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929622 458600714 /nfs/dbraw/zinc/60/07/14/458600714.db2.gz ZBTGIARCXQOTLI-OJAHFUOMSA-N 2 2 328.500 3.444 20 0 EGADLP Clc1ccc(Br)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494401294 458672528 /nfs/dbraw/zinc/67/25/28/458672528.db2.gz ABPLBRVBLQDTSC-GFCCVEGCSA-N 2 2 340.652 3.404 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000494434650 458677111 /nfs/dbraw/zinc/67/71/11/458677111.db2.gz MBPNFAYPTKCUCB-ALOPSCKCSA-N 2 2 339.524 3.238 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000494434650 458677115 /nfs/dbraw/zinc/67/71/15/458677115.db2.gz MBPNFAYPTKCUCB-ALOPSCKCSA-N 2 2 339.524 3.238 20 0 EGADLP OC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC1CCCC1 ZINC000463238670 458685345 /nfs/dbraw/zinc/68/53/45/458685345.db2.gz XDMOXJVSJWTDAQ-HNNXBMFYSA-N 2 2 336.442 3.182 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000494610610 458710275 /nfs/dbraw/zinc/71/02/75/458710275.db2.gz BVZSLWGJVOMYBM-IBGZPJMESA-N 2 2 331.435 3.020 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000494610610 458710279 /nfs/dbraw/zinc/71/02/79/458710279.db2.gz BVZSLWGJVOMYBM-IBGZPJMESA-N 2 2 331.435 3.020 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)CC3 ZINC000547309633 458716572 /nfs/dbraw/zinc/71/65/72/458716572.db2.gz DLIVEWHAVADYSB-JKSUJKDBSA-N 2 2 341.499 3.355 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)CC3 ZINC000547309633 458716575 /nfs/dbraw/zinc/71/65/75/458716575.db2.gz DLIVEWHAVADYSB-JKSUJKDBSA-N 2 2 341.499 3.355 20 0 EGADLP CCCc1noc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852369 458743112 /nfs/dbraw/zinc/74/31/12/458743112.db2.gz VSQUNAUADVGBIF-MSOLQXFVSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1noc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852369 458743116 /nfs/dbraw/zinc/74/31/16/458743116.db2.gz VSQUNAUADVGBIF-MSOLQXFVSA-N 2 2 342.487 3.194 20 0 EGADLP CCc1cnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000530337262 458750220 /nfs/dbraw/zinc/75/02/20/458750220.db2.gz LXGMYLIVUJQCCI-HOTGVXAUSA-N 2 2 327.472 3.483 20 0 EGADLP Cc1cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000531095497 458870429 /nfs/dbraw/zinc/87/04/29/458870429.db2.gz AACAPAQNOBBELM-MRXNPFEDSA-N 2 2 330.863 3.453 20 0 EGADLP C[N@H+](CCCCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CC1 ZINC000457166651 458887400 /nfs/dbraw/zinc/88/74/00/458887400.db2.gz LIDSIKOGTTXCPT-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP C[N@@H+](CCCCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CC1 ZINC000457166651 458887406 /nfs/dbraw/zinc/88/74/06/458887406.db2.gz LIDSIKOGTTXCPT-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@@H]1C ZINC000474722247 458899088 /nfs/dbraw/zinc/89/90/88/458899088.db2.gz YZVWBRMHLZOGQF-QVHQYWGISA-N 2 2 344.499 3.389 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@@H]1C ZINC000474722247 458899092 /nfs/dbraw/zinc/89/90/92/458899092.db2.gz YZVWBRMHLZOGQF-QVHQYWGISA-N 2 2 344.499 3.389 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336938 458923068 /nfs/dbraw/zinc/92/30/68/458923068.db2.gz IGUVCMIJDVUAAF-UXHICEINSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336938 458923074 /nfs/dbraw/zinc/92/30/74/458923074.db2.gz IGUVCMIJDVUAAF-UXHICEINSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441336938 458923081 /nfs/dbraw/zinc/92/30/81/458923081.db2.gz IGUVCMIJDVUAAF-UXHICEINSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441336938 458923086 /nfs/dbraw/zinc/92/30/86/458923086.db2.gz IGUVCMIJDVUAAF-UXHICEINSA-N 2 2 345.531 3.450 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441399997 458935871 /nfs/dbraw/zinc/93/58/71/458935871.db2.gz FYCGNRXGYVDTJJ-AZUAARDMSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441399997 458935876 /nfs/dbraw/zinc/93/58/76/458935876.db2.gz FYCGNRXGYVDTJJ-AZUAARDMSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441399997 458935883 /nfs/dbraw/zinc/93/58/83/458935883.db2.gz FYCGNRXGYVDTJJ-AZUAARDMSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000475635538 458956834 /nfs/dbraw/zinc/95/68/34/458956834.db2.gz BMQKPYGQOLEMIE-UKRRQHHQSA-N 2 2 342.405 3.385 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000475635538 458956842 /nfs/dbraw/zinc/95/68/42/458956842.db2.gz BMQKPYGQOLEMIE-UKRRQHHQSA-N 2 2 342.405 3.385 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715748 458965637 /nfs/dbraw/zinc/96/56/37/458965637.db2.gz QCPOCMPRYRVBOY-HKUYNNGSSA-N 2 2 337.552 3.268 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715748 458965641 /nfs/dbraw/zinc/96/56/41/458965641.db2.gz QCPOCMPRYRVBOY-HKUYNNGSSA-N 2 2 337.552 3.268 20 0 EGADLP CC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCOCC1 ZINC000531940619 459003031 /nfs/dbraw/zinc/00/30/31/459003031.db2.gz AHCCKBXKULOIGL-QGZVFWFLSA-N 2 2 326.550 3.143 20 0 EGADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924633 459022762 /nfs/dbraw/zinc/02/27/62/459022762.db2.gz RZSYANTXFFPPLW-MSOLQXFVSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000556873390 459025078 /nfs/dbraw/zinc/02/50/78/459025078.db2.gz WYKJIQMSIFFANZ-WIYYLYMNSA-N 2 2 338.499 3.029 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059408 459041722 /nfs/dbraw/zinc/04/17/22/459041722.db2.gz XOGYMAVMDQEJSW-WBMJQRKESA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059408 459041724 /nfs/dbraw/zinc/04/17/24/459041724.db2.gz XOGYMAVMDQEJSW-WBMJQRKESA-N 2 2 331.287 3.347 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240037 459051797 /nfs/dbraw/zinc/05/17/97/459051797.db2.gz DASGSDJJIXDVFD-UKRRQHHQSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240037 459051803 /nfs/dbraw/zinc/05/18/03/459051803.db2.gz DASGSDJJIXDVFD-UKRRQHHQSA-N 2 2 337.895 3.297 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1O ZINC000443014174 459074661 /nfs/dbraw/zinc/07/46/61/459074661.db2.gz PJSWPBVGTLYAFO-MGPUTAFESA-N 2 2 328.456 3.490 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000577741458 459087044 /nfs/dbraw/zinc/08/70/44/459087044.db2.gz LURATOHVJRUXCI-XJKSGUPXSA-N 2 2 330.394 3.115 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000520833276 459098426 /nfs/dbraw/zinc/09/84/26/459098426.db2.gz UBSKQWXLTTWHHH-YLJYHZDGSA-N 2 2 330.447 3.012 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000520833276 459098429 /nfs/dbraw/zinc/09/84/29/459098429.db2.gz UBSKQWXLTTWHHH-YLJYHZDGSA-N 2 2 330.447 3.012 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000567526589 459119629 /nfs/dbraw/zinc/11/96/29/459119629.db2.gz ONBPEYGFWYHHJU-ZWKOTPCHSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000567526589 459119637 /nfs/dbraw/zinc/11/96/37/459119637.db2.gz ONBPEYGFWYHHJU-ZWKOTPCHSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000567526589 459119640 /nfs/dbraw/zinc/11/96/40/459119640.db2.gz ONBPEYGFWYHHJU-ZWKOTPCHSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000567526589 459119644 /nfs/dbraw/zinc/11/96/44/459119644.db2.gz ONBPEYGFWYHHJU-ZWKOTPCHSA-N 2 2 325.541 3.220 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H]([NH2+]C(C)C)C3)cc2)n1 ZINC000594749118 459150904 /nfs/dbraw/zinc/15/09/04/459150904.db2.gz UPQSKRHADIJDEF-LJQANCHMSA-N 2 2 326.488 3.452 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([NH2+]C(C)C)C3)cc2)n1 ZINC000594749118 459150908 /nfs/dbraw/zinc/15/09/08/459150908.db2.gz UPQSKRHADIJDEF-LJQANCHMSA-N 2 2 326.488 3.452 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NC/C=C/c3ccccc3)[nH+]c2)CC1 ZINC000532866767 459151534 /nfs/dbraw/zinc/15/15/34/459151534.db2.gz WYQQIMMCLYAKHI-RMKNXTFCSA-N 2 2 336.483 3.159 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000567725826 459154656 /nfs/dbraw/zinc/15/46/56/459154656.db2.gz KYPJYAIDUTZRAR-WIYYLYMNSA-N 2 2 349.478 3.228 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352966 459162891 /nfs/dbraw/zinc/16/28/91/459162891.db2.gz WKKAFSPTFDGQFS-VBQJREDUSA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352966 459162896 /nfs/dbraw/zinc/16/28/96/459162896.db2.gz WKKAFSPTFDGQFS-VBQJREDUSA-N 2 2 348.491 3.035 20 0 EGADLP FC(F)(F)CO[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000532990089 459171482 /nfs/dbraw/zinc/17/14/82/459171482.db2.gz UJXOAWHODCWISB-INIZCTEOSA-N 2 2 339.361 3.416 20 0 EGADLP FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000532990089 459171491 /nfs/dbraw/zinc/17/14/91/459171491.db2.gz UJXOAWHODCWISB-INIZCTEOSA-N 2 2 339.361 3.416 20 0 EGADLP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000594936228 459183698 /nfs/dbraw/zinc/18/36/98/459183698.db2.gz WKDJAPSFFBKQMB-UHFFFAOYSA-N 2 2 327.428 3.074 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000480650424 459210776 /nfs/dbraw/zinc/21/07/76/459210776.db2.gz YMLFPFOLZLTGFN-STQMWFEESA-N 2 2 329.282 3.500 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C(C)(C)O1 ZINC000480741787 459216444 /nfs/dbraw/zinc/21/64/44/459216444.db2.gz AJVSPULPKYDGSV-OAHLLOKOSA-N 2 2 326.550 3.284 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000568168981 459238090 /nfs/dbraw/zinc/23/80/90/459238090.db2.gz XWGSLTPIEYECEH-UHFFFAOYSA-N 2 2 346.906 3.214 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000568168981 459238094 /nfs/dbraw/zinc/23/80/94/459238094.db2.gz XWGSLTPIEYECEH-UHFFFAOYSA-N 2 2 346.906 3.214 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000568251648 459257934 /nfs/dbraw/zinc/25/79/34/459257934.db2.gz XLUSSUVFBHMXDQ-NVXWUHKLSA-N 2 2 342.487 3.124 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568251648 459257938 /nfs/dbraw/zinc/25/79/38/459257938.db2.gz XLUSSUVFBHMXDQ-NVXWUHKLSA-N 2 2 342.487 3.124 20 0 EGADLP c1csc([C@H](C[NH2+][C@H]2COc3ccccc3C2)[NH+]2CCCC2)c1 ZINC000559721831 459274107 /nfs/dbraw/zinc/27/41/07/459274107.db2.gz JCLXLLRRPJERFR-SJORKVTESA-N 2 2 328.481 3.478 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568412233 459285272 /nfs/dbraw/zinc/28/52/72/459285272.db2.gz OTJWSVGRJYIIMV-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412233 459285278 /nfs/dbraw/zinc/28/52/78/459285278.db2.gz OTJWSVGRJYIIMV-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568412233 459285282 /nfs/dbraw/zinc/28/52/82/459285282.db2.gz OTJWSVGRJYIIMV-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412233 459285286 /nfs/dbraw/zinc/28/52/86/459285286.db2.gz OTJWSVGRJYIIMV-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000582010806 459291466 /nfs/dbraw/zinc/29/14/66/459291466.db2.gz DMRKWPWDFBWJHO-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000582010806 459291471 /nfs/dbraw/zinc/29/14/71/459291471.db2.gz DMRKWPWDFBWJHO-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+](CC3CC3)CC3CC3)C2)cc1 ZINC000560162394 459307730 /nfs/dbraw/zinc/30/77/30/459307730.db2.gz RAMZUGGTOCRVPF-NRFANRHFSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+](CC3CC3)CC3CC3)C2)cc1 ZINC000560162394 459307735 /nfs/dbraw/zinc/30/77/35/459307735.db2.gz RAMZUGGTOCRVPF-NRFANRHFSA-N 2 2 328.500 3.400 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082987 459310037 /nfs/dbraw/zinc/31/00/37/459310037.db2.gz XJNGGKPDPZGHMP-CHWSQXEVSA-N 2 2 329.429 3.393 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082987 459310043 /nfs/dbraw/zinc/31/00/43/459310043.db2.gz XJNGGKPDPZGHMP-CHWSQXEVSA-N 2 2 329.429 3.393 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000568628228 459319799 /nfs/dbraw/zinc/31/97/99/459319799.db2.gz PDLRMUCJERAEQJ-APWZRJJASA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000568628228 459319803 /nfs/dbraw/zinc/31/98/03/459319803.db2.gz PDLRMUCJERAEQJ-APWZRJJASA-N 2 2 334.529 3.222 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659328 459324719 /nfs/dbraw/zinc/32/47/19/459324719.db2.gz MOHFQFFVKRJBOP-FHLIZLRMSA-N 2 2 349.494 3.231 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659328 459324725 /nfs/dbraw/zinc/32/47/25/459324725.db2.gz MOHFQFFVKRJBOP-FHLIZLRMSA-N 2 2 349.494 3.231 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000582414363 459360699 /nfs/dbraw/zinc/36/06/99/459360699.db2.gz BXXIYXNQUBYUDT-IPMKNSEASA-N 2 2 336.414 3.383 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569017117 459382374 /nfs/dbraw/zinc/38/23/74/459382374.db2.gz FWKOELZVCZLAHW-GOSISDBHSA-N 2 2 348.535 3.130 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569017117 459382382 /nfs/dbraw/zinc/38/23/82/459382382.db2.gz FWKOELZVCZLAHW-GOSISDBHSA-N 2 2 348.535 3.130 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867036 459457755 /nfs/dbraw/zinc/45/77/55/459457755.db2.gz MHAFQBNTCFXMOR-NVXWUHKLSA-N 2 2 326.444 3.110 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867036 459457759 /nfs/dbraw/zinc/45/77/59/459457759.db2.gz MHAFQBNTCFXMOR-NVXWUHKLSA-N 2 2 326.444 3.110 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000561781974 459484383 /nfs/dbraw/zinc/48/43/83/459484383.db2.gz JFLVNCOYYVZLEW-ZAWLATJESA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000561781974 459484388 /nfs/dbraw/zinc/48/43/88/459484388.db2.gz JFLVNCOYYVZLEW-ZAWLATJESA-N 2 2 332.488 3.074 20 0 EGADLP c1cc(N[C@@H]2CC[C@H]2C2CC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000562080853 459509938 /nfs/dbraw/zinc/50/99/38/459509938.db2.gz PJHVMRLVKLAMRY-DLBZAZTESA-N 2 2 340.471 3.038 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c[nH+]1 ZINC000525991734 459527259 /nfs/dbraw/zinc/52/72/59/459527259.db2.gz LGNDQRQQPMOJCO-INIZCTEOSA-N 2 2 330.394 3.348 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000583372243 459527506 /nfs/dbraw/zinc/52/75/06/459527506.db2.gz NNFQVNURELOSDN-RXVVDRJESA-N 2 2 340.467 3.119 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000583372243 459527510 /nfs/dbraw/zinc/52/75/10/459527510.db2.gz NNFQVNURELOSDN-RXVVDRJESA-N 2 2 340.467 3.119 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000583507798 459552442 /nfs/dbraw/zinc/55/24/42/459552442.db2.gz NSXABHAIVOMMNF-OAHLLOKOSA-N 2 2 340.471 3.146 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000583507798 459552447 /nfs/dbraw/zinc/55/24/47/459552447.db2.gz NSXABHAIVOMMNF-OAHLLOKOSA-N 2 2 340.471 3.146 20 0 EGADLP CSc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000572985968 459607547 /nfs/dbraw/zinc/60/75/47/459607547.db2.gz XGPUHAVDIMUALX-CQSZACIVSA-N 2 2 326.531 3.157 20 0 EGADLP CC[C@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592487927 459612172 /nfs/dbraw/zinc/61/21/72/459612172.db2.gz CSPCPWZTNINADQ-WFASDCNBSA-N 2 2 332.469 3.247 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592487927 459612174 /nfs/dbraw/zinc/61/21/74/459612174.db2.gz CSPCPWZTNINADQ-WFASDCNBSA-N 2 2 332.469 3.247 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933732 459613932 /nfs/dbraw/zinc/61/39/32/459613932.db2.gz NHZVDOPBMOFXAY-QFBILLFUSA-N 2 2 329.488 3.355 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933732 459613940 /nfs/dbraw/zinc/61/39/40/459613940.db2.gz NHZVDOPBMOFXAY-QFBILLFUSA-N 2 2 329.488 3.355 20 0 EGADLP CC(C)(C[NH2+]Cc1ncc(Br)cc1F)C[NH+]1CCCC1 ZINC000527699760 459705281 /nfs/dbraw/zinc/70/52/81/459705281.db2.gz LUTDCBKFZDUBIZ-UHFFFAOYSA-N 2 2 344.272 3.195 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000584378461 459721914 /nfs/dbraw/zinc/72/19/14/459721914.db2.gz KOBAWSOWOGIIQS-YKDNIJDTSA-N 2 2 336.479 3.172 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000584378461 459721919 /nfs/dbraw/zinc/72/19/19/459721919.db2.gz KOBAWSOWOGIIQS-YKDNIJDTSA-N 2 2 336.479 3.172 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000563135108 459722372 /nfs/dbraw/zinc/72/23/72/459722372.db2.gz FXDBMFAMTWJYBU-CABCVRRESA-N 2 2 338.879 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000563135108 459722374 /nfs/dbraw/zinc/72/23/74/459722374.db2.gz FXDBMFAMTWJYBU-CABCVRRESA-N 2 2 338.879 3.179 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760160 459727875 /nfs/dbraw/zinc/72/78/75/459727875.db2.gz ABIDZSQAHJUUMO-IERDGZPVSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760160 459727881 /nfs/dbraw/zinc/72/78/81/459727881.db2.gz ABIDZSQAHJUUMO-IERDGZPVSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000584433325 459736008 /nfs/dbraw/zinc/73/60/08/459736008.db2.gz VUQCYBUJZHJRLQ-OLZOCXBDSA-N 2 2 343.284 3.451 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000584433325 459736012 /nfs/dbraw/zinc/73/60/12/459736012.db2.gz VUQCYBUJZHJRLQ-OLZOCXBDSA-N 2 2 343.284 3.451 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253585 459749174 /nfs/dbraw/zinc/74/91/74/459749174.db2.gz XBWUUZJKIZGCRW-XJKSGUPXSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253585 459749180 /nfs/dbraw/zinc/74/91/80/459749180.db2.gz XBWUUZJKIZGCRW-XJKSGUPXSA-N 2 2 333.407 3.123 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000566084236 459802527 /nfs/dbraw/zinc/80/25/27/459802527.db2.gz HJQLCSIIZWMCMT-MOPGFXCFSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000566084236 459802532 /nfs/dbraw/zinc/80/25/32/459802532.db2.gz HJQLCSIIZWMCMT-MOPGFXCFSA-N 2 2 349.563 3.221 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH2+]Cc2ccccc21)c1cccc(Cl)c1 ZINC000574640066 459847305 /nfs/dbraw/zinc/84/73/05/459847305.db2.gz GKDBUORFYIZHTA-GOSISDBHSA-N 2 2 343.858 3.079 20 0 EGADLP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000597155520 459854274 /nfs/dbraw/zinc/85/42/74/459854274.db2.gz TZWRKQTXJIMIJA-MRXNPFEDSA-N 2 2 333.476 3.211 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000566415458 459861636 /nfs/dbraw/zinc/86/16/36/459861636.db2.gz GBFBEXJELCGFLR-GOSISDBHSA-N 2 2 326.484 3.295 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000566415458 459861639 /nfs/dbraw/zinc/86/16/39/459861639.db2.gz GBFBEXJELCGFLR-GOSISDBHSA-N 2 2 326.484 3.295 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000566415459 459861980 /nfs/dbraw/zinc/86/19/80/459861980.db2.gz GBFBEXJELCGFLR-SFHVURJKSA-N 2 2 326.484 3.295 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(c1ccccc1C)c1ccccc1C ZINC000566415459 459861984 /nfs/dbraw/zinc/86/19/84/459861984.db2.gz GBFBEXJELCGFLR-SFHVURJKSA-N 2 2 326.484 3.295 20 0 EGADLP C[C@@H](CC1CC1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000545949768 459878508 /nfs/dbraw/zinc/87/85/08/459878508.db2.gz GGVFESWHJPJWBM-AWEZNQCLSA-N 2 2 328.460 3.038 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000575129882 459933305 /nfs/dbraw/zinc/93/33/05/459933305.db2.gz CABODTUYFGYPFU-LLVKDONJSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687142 459968563 /nfs/dbraw/zinc/96/85/63/459968563.db2.gz KPTRTAMHRPQALA-QAPCUYQASA-N 2 2 348.437 3.451 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687142 459968566 /nfs/dbraw/zinc/96/85/66/459968566.db2.gz KPTRTAMHRPQALA-QAPCUYQASA-N 2 2 348.437 3.451 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687142 459968570 /nfs/dbraw/zinc/96/85/70/459968570.db2.gz KPTRTAMHRPQALA-QAPCUYQASA-N 2 2 348.437 3.451 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687142 459968574 /nfs/dbraw/zinc/96/85/74/459968574.db2.gz KPTRTAMHRPQALA-QAPCUYQASA-N 2 2 348.437 3.451 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689730 459970891 /nfs/dbraw/zinc/97/08/91/459970891.db2.gz QVVDOUGXXDOTKL-DOTOQJQBSA-N 2 2 332.875 3.484 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689730 459970895 /nfs/dbraw/zinc/97/08/95/459970895.db2.gz QVVDOUGXXDOTKL-DOTOQJQBSA-N 2 2 332.875 3.484 20 0 EGADLP c1cn(CCCC2CC[NH+](Cc3noc(C4CCC4)n3)CC2)c[nH+]1 ZINC000625318429 460123973 /nfs/dbraw/zinc/12/39/73/460123973.db2.gz POOXJEOQDNIZEB-UHFFFAOYSA-N 2 2 329.448 3.226 20 0 EGADLP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610371740 460137574 /nfs/dbraw/zinc/13/75/74/460137574.db2.gz RMHXPTBSLHNXLI-GBESFXJTSA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610371740 460137578 /nfs/dbraw/zinc/13/75/78/460137578.db2.gz RMHXPTBSLHNXLI-GBESFXJTSA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000610371740 460137585 /nfs/dbraw/zinc/13/75/85/460137585.db2.gz RMHXPTBSLHNXLI-GBESFXJTSA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000610371740 460137596 /nfs/dbraw/zinc/13/75/96/460137596.db2.gz RMHXPTBSLHNXLI-GBESFXJTSA-N 2 2 336.545 3.085 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669970 460189561 /nfs/dbraw/zinc/18/95/61/460189561.db2.gz KMTKBFLNWKHNOX-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669970 460189566 /nfs/dbraw/zinc/18/95/66/460189566.db2.gz KMTKBFLNWKHNOX-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669970 460189573 /nfs/dbraw/zinc/18/95/73/460189573.db2.gz KMTKBFLNWKHNOX-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669970 460189580 /nfs/dbraw/zinc/18/95/80/460189580.db2.gz KMTKBFLNWKHNOX-ZBFHGGJFSA-N 2 2 336.863 3.027 20 0 EGADLP CC[N@H+](Cc1nc(C(=O)OC)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659822 460301082 /nfs/dbraw/zinc/30/10/82/460301082.db2.gz JYYXXJOTLLDCHL-UHFFFAOYSA-N 2 2 347.484 3.013 20 0 EGADLP CC[N@@H+](Cc1nc(C(=O)OC)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659822 460301090 /nfs/dbraw/zinc/30/10/90/460301090.db2.gz JYYXXJOTLLDCHL-UHFFFAOYSA-N 2 2 347.484 3.013 20 0 EGADLP COc1cccc2c1C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000626023967 460343188 /nfs/dbraw/zinc/34/31/88/460343188.db2.gz XIILXHRXSIKZOV-UHFFFAOYSA-N 2 2 338.451 3.043 20 0 EGADLP COc1cccc2c1C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000626023967 460343193 /nfs/dbraw/zinc/34/31/93/460343193.db2.gz XIILXHRXSIKZOV-UHFFFAOYSA-N 2 2 338.451 3.043 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000626088662 460366321 /nfs/dbraw/zinc/36/63/21/460366321.db2.gz IJXWEERMFXCUSW-UHFFFAOYSA-N 2 2 338.442 3.084 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000626089392 460367850 /nfs/dbraw/zinc/36/78/50/460367850.db2.gz OPECJORECDPMQN-UHFFFAOYSA-N 2 2 330.463 3.389 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000623089547 460408689 /nfs/dbraw/zinc/40/86/89/460408689.db2.gz LWLMPDAKONQYAE-UHFFFAOYSA-N 2 2 337.336 3.167 20 0 EGADLP Fc1cc2cccnc2c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088751 460408912 /nfs/dbraw/zinc/40/89/12/460408912.db2.gz CEZISGXZEZKWHK-UHFFFAOYSA-N 2 2 337.389 3.441 20 0 EGADLP c1cc2c(cc[nH+]c2NCc2cc[nH+]c(N3CCSCC3)c2)[nH]1 ZINC000631505122 460414994 /nfs/dbraw/zinc/41/49/94/460414994.db2.gz MDIQJWLOJOZOJX-UHFFFAOYSA-N 2 2 325.441 3.123 20 0 EGADLP CC(C)CC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000634554523 460418586 /nfs/dbraw/zinc/41/85/86/460418586.db2.gz CWYSWZLTYAWLSR-KRWDZBQOSA-N 2 2 344.459 3.005 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000623137142 460418656 /nfs/dbraw/zinc/41/86/56/460418656.db2.gz LELCRQXWZMAUNZ-OALUTQOASA-N 2 2 344.499 3.270 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000623137142 460418663 /nfs/dbraw/zinc/41/86/63/460418663.db2.gz LELCRQXWZMAUNZ-OALUTQOASA-N 2 2 344.499 3.270 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000628476216 460430437 /nfs/dbraw/zinc/43/04/37/460430437.db2.gz MULVWRAAFIIRFD-UHFFFAOYSA-N 2 2 332.488 3.080 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000628476190 460431414 /nfs/dbraw/zinc/43/14/14/460431414.db2.gz KQJDOZHJZAJOBK-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631649463 460488351 /nfs/dbraw/zinc/48/83/51/460488351.db2.gz XJVUXEWCPCWMHE-QFBILLFUSA-N 2 2 341.499 3.332 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OCC(F)(F)F ZINC000629384701 460744905 /nfs/dbraw/zinc/74/49/05/460744905.db2.gz DFZGYTCDNUQNOV-CQSZACIVSA-N 2 2 332.341 3.141 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000607152098 460799192 /nfs/dbraw/zinc/79/91/92/460799192.db2.gz AXUNLKSZKOPUFN-MRXNPFEDSA-N 2 2 348.878 3.395 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000607152098 460799199 /nfs/dbraw/zinc/79/91/99/460799199.db2.gz AXUNLKSZKOPUFN-MRXNPFEDSA-N 2 2 348.878 3.395 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120486 460870608 /nfs/dbraw/zinc/87/06/08/460870608.db2.gz ABSNQKLCDUSWAG-WMZOPIPTSA-N 2 2 341.503 3.267 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120486 460870616 /nfs/dbraw/zinc/87/06/16/460870616.db2.gz ABSNQKLCDUSWAG-WMZOPIPTSA-N 2 2 341.503 3.267 20 0 EGADLP C[NH+](C)Cc1cc(-c2cnn(Cc3[nH+]ccn3C(F)F)c2)ccc1F ZINC000629739087 460898333 /nfs/dbraw/zinc/89/83/33/460898333.db2.gz VIYBAMDIMFUSDS-UHFFFAOYSA-N 2 2 349.360 3.391 20 0 EGADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624228061 460920678 /nfs/dbraw/zinc/92/06/78/460920678.db2.gz HJWCOKLBKWGXJG-UXHICEINSA-N 2 2 344.886 3.280 20 0 EGADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624228061 460920682 /nfs/dbraw/zinc/92/06/82/460920682.db2.gz HJWCOKLBKWGXJG-UXHICEINSA-N 2 2 344.886 3.280 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cs2)cc1 ZINC000608061327 460973819 /nfs/dbraw/zinc/97/38/19/460973819.db2.gz ORIYFFWWKZQTBA-ZFWWWQNUSA-N 2 2 331.485 3.391 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cs2)cc1 ZINC000608061327 460973827 /nfs/dbraw/zinc/97/38/27/460973827.db2.gz ORIYFFWWKZQTBA-ZFWWWQNUSA-N 2 2 331.485 3.391 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635939013 460983371 /nfs/dbraw/zinc/98/33/71/460983371.db2.gz YAVUKKGKASIIGK-IAGOWNOFSA-N 2 2 343.475 3.441 20 0 EGADLP CCOc1cncc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000621325731 460988322 /nfs/dbraw/zinc/98/83/22/460988322.db2.gz IQLUIENQNXIBBZ-HXUWFJFHSA-N 2 2 325.456 3.407 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190485 461041645 /nfs/dbraw/zinc/04/16/45/461041645.db2.gz HTPZVWQYHLTLLO-HZSPNIEDSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1csc(C(F)(F)F)c1 ZINC000628190485 461041651 /nfs/dbraw/zinc/04/16/51/461041651.db2.gz HTPZVWQYHLTLLO-HZSPNIEDSA-N 2 2 348.434 3.450 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190364 461042568 /nfs/dbraw/zinc/04/25/68/461042568.db2.gz DJFPMTRNXHFWRA-WBMJQRKESA-N 2 2 349.276 3.432 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190364 461042570 /nfs/dbraw/zinc/04/25/70/461042570.db2.gz DJFPMTRNXHFWRA-WBMJQRKESA-N 2 2 349.276 3.432 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665554867 461124897 /nfs/dbraw/zinc/12/48/97/461124897.db2.gz UEUNTURBEBMKDL-CVEARBPZSA-N 2 2 347.507 3.012 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665554867 461124907 /nfs/dbraw/zinc/12/49/07/461124907.db2.gz UEUNTURBEBMKDL-CVEARBPZSA-N 2 2 347.507 3.012 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668146413 461133677 /nfs/dbraw/zinc/13/36/77/461133677.db2.gz GSAWVMVPDUDFJT-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP Cc1c(Br)cncc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000668146413 461133683 /nfs/dbraw/zinc/13/36/83/461133683.db2.gz GSAWVMVPDUDFJT-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP Cc1c(Br)cncc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000668146413 461133687 /nfs/dbraw/zinc/13/36/87/461133687.db2.gz GSAWVMVPDUDFJT-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP Cc1c(Br)cncc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000668146413 461133692 /nfs/dbraw/zinc/13/36/92/461133692.db2.gz GSAWVMVPDUDFJT-YIONKMFJSA-N 2 2 338.293 3.210 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668159911 461145420 /nfs/dbraw/zinc/14/54/20/461145420.db2.gz LFELPHVRBJEAQL-UHFFFAOYSA-N 2 2 331.464 3.228 20 0 EGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000668160154 461145892 /nfs/dbraw/zinc/14/58/92/461145892.db2.gz UIMKYHAPMYMAHQ-UHFFFAOYSA-N 2 2 336.430 3.306 20 0 EGADLP CCCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646261169 461158049 /nfs/dbraw/zinc/15/80/49/461158049.db2.gz NTFDFOSNTKWBRF-QGZVFWFLSA-N 2 2 341.459 3.035 20 0 EGADLP CCCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646261169 461158056 /nfs/dbraw/zinc/15/80/56/461158056.db2.gz NTFDFOSNTKWBRF-QGZVFWFLSA-N 2 2 341.459 3.035 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980732 461168826 /nfs/dbraw/zinc/16/88/26/461168826.db2.gz ZVJWXQDNHZFNQK-AOIWGVFYSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980732 461168832 /nfs/dbraw/zinc/16/88/32/461168832.db2.gz ZVJWXQDNHZFNQK-AOIWGVFYSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980732 461168838 /nfs/dbraw/zinc/16/88/38/461168838.db2.gz ZVJWXQDNHZFNQK-AOIWGVFYSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980732 461168845 /nfs/dbraw/zinc/16/88/45/461168845.db2.gz ZVJWXQDNHZFNQK-AOIWGVFYSA-N 2 2 330.520 3.458 20 0 EGADLP Cn1cc[nH+]c1C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccccc1 ZINC000665703710 461217496 /nfs/dbraw/zinc/21/74/96/461217496.db2.gz WRCJIDCWQJVOPG-MRXNPFEDSA-N 2 2 334.427 3.180 20 0 EGADLP Cn1cc[nH+]c1C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccccc1 ZINC000665703710 461217505 /nfs/dbraw/zinc/21/75/05/461217505.db2.gz WRCJIDCWQJVOPG-MRXNPFEDSA-N 2 2 334.427 3.180 20 0 EGADLP Fc1ccc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1F ZINC000638112078 461247036 /nfs/dbraw/zinc/24/70/36/461247036.db2.gz JREGLGTWLHPHBD-AWEZNQCLSA-N 2 2 331.410 3.431 20 0 EGADLP Fc1ccc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nc2c1F ZINC000638112078 461247041 /nfs/dbraw/zinc/24/70/41/461247041.db2.gz JREGLGTWLHPHBD-AWEZNQCLSA-N 2 2 331.410 3.431 20 0 EGADLP O=C(NCCC1CC[NH2+]CC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000652578743 461275055 /nfs/dbraw/zinc/27/50/55/461275055.db2.gz ZZVGDKGDCPURPF-UHFFFAOYSA-N 2 2 340.427 3.385 20 0 EGADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000646476469 461286645 /nfs/dbraw/zinc/28/66/45/461286645.db2.gz SBOAJLLMJTYDIW-KSSFIOAISA-N 2 2 325.412 3.039 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180571 461290325 /nfs/dbraw/zinc/29/03/25/461290325.db2.gz WTJBKIVUBRIQFY-RHSMWYFYSA-N 2 2 331.410 3.429 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180571 461290330 /nfs/dbraw/zinc/29/03/30/461290330.db2.gz WTJBKIVUBRIQFY-RHSMWYFYSA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180571 461290336 /nfs/dbraw/zinc/29/03/36/461290336.db2.gz WTJBKIVUBRIQFY-RHSMWYFYSA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180571 461290342 /nfs/dbraw/zinc/29/03/42/461290342.db2.gz WTJBKIVUBRIQFY-RHSMWYFYSA-N 2 2 331.410 3.429 20 0 EGADLP CN(CC(C)(C)[NH3+])C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000662611374 461318792 /nfs/dbraw/zinc/31/87/92/461318792.db2.gz ZHWDHJDJNIVBCL-UHFFFAOYSA-N 2 2 333.819 3.337 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC4(CC4(F)F)CC3)c2cc1C ZINC000649776734 461339458 /nfs/dbraw/zinc/33/94/58/461339458.db2.gz VDUFAXWHVHHIBV-HNNXBMFYSA-N 2 2 349.425 3.135 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292061 461350045 /nfs/dbraw/zinc/35/00/45/461350045.db2.gz UESMVWCHWJKXOD-PZJWPPBQSA-N 3 2 327.516 3.428 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638292061 461350057 /nfs/dbraw/zinc/35/00/57/461350057.db2.gz UESMVWCHWJKXOD-PZJWPPBQSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000655691577 461366501 /nfs/dbraw/zinc/36/65/01/461366501.db2.gz VTNHOJUZZXJEMU-XJKSGUPXSA-N 2 2 340.414 3.192 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655694709 461368266 /nfs/dbraw/zinc/36/82/66/461368266.db2.gz KCWODLRJTVOJPS-LPHOPBHVSA-N 2 2 332.488 3.378 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655704130 461376234 /nfs/dbraw/zinc/37/62/34/461376234.db2.gz QIPOAXQMNCNPEM-QFBILLFUSA-N 2 2 332.488 3.379 20 0 EGADLP COc1ccccc1C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655718302 461386539 /nfs/dbraw/zinc/38/65/39/461386539.db2.gz IOOBJZWGKMMDIU-WOJBJXKFSA-N 2 2 346.515 3.105 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)ccn1 ZINC000655717461 461387909 /nfs/dbraw/zinc/38/79/09/461387909.db2.gz CWIAKYMKQHWIEF-CRAIPNDOSA-N 2 2 336.439 3.458 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000641823088 461389130 /nfs/dbraw/zinc/38/91/30/461389130.db2.gz QDMPFGSTNITNME-JQWIXIFHSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2nsc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000641823088 461389144 /nfs/dbraw/zinc/38/91/44/461389144.db2.gz QDMPFGSTNITNME-JQWIXIFHSA-N 2 2 329.391 3.255 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@H]3CCCn4cc[nH+]c43)c(C)c2)CC1 ZINC000655737833 461405105 /nfs/dbraw/zinc/40/51/05/461405105.db2.gz DUWNUXIZOBSHTR-IBGZPJMESA-N 2 2 339.487 3.280 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000655768084 461433534 /nfs/dbraw/zinc/43/35/34/461433534.db2.gz PEMLFUVKUIICAQ-FRQCXROJSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000655768084 461433540 /nfs/dbraw/zinc/43/35/40/461433540.db2.gz PEMLFUVKUIICAQ-FRQCXROJSA-N 2 2 325.456 3.404 20 0 EGADLP Fc1cc(F)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCC2 ZINC000655772468 461437284 /nfs/dbraw/zinc/43/72/84/461437284.db2.gz WTQZPMUBZIDSEW-DNVCBOLYSA-N 2 2 336.426 3.185 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@@H]1CC1(C)C ZINC000666136165 461467599 /nfs/dbraw/zinc/46/75/99/461467599.db2.gz SGCOTIMAUWPABD-YIOZNXECSA-N 2 2 344.503 3.029 20 0 EGADLP COc1ccc([C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[NH+]2CCCCC2)cc1 ZINC000631032552 461485249 /nfs/dbraw/zinc/48/52/49/461485249.db2.gz GSSDILNYKVMKFQ-LJQANCHMSA-N 2 2 341.455 3.113 20 0 EGADLP COc1ccccc1N1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000631038015 461490026 /nfs/dbraw/zinc/49/00/26/461490026.db2.gz PTGVOIFKGGVZTL-UHFFFAOYSA-N 2 2 331.504 3.130 20 0 EGADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)c1cc2ccccc2o1 ZINC000653078792 461491050 /nfs/dbraw/zinc/49/10/50/461491050.db2.gz JVNSDJCJWDHNDW-ZBFHGGJFSA-N 2 2 331.460 3.011 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848731 461495127 /nfs/dbraw/zinc/49/51/27/461495127.db2.gz KAJPTBKKAQJMEI-YYWHXJBOSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848731 461495135 /nfs/dbraw/zinc/49/51/35/461495135.db2.gz KAJPTBKKAQJMEI-YYWHXJBOSA-N 2 2 343.515 3.191 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849119 461496425 /nfs/dbraw/zinc/49/64/25/461496425.db2.gz NDEQUEWMGOJRPX-LZLYRXPVSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849119 461496433 /nfs/dbraw/zinc/49/64/33/461496433.db2.gz NDEQUEWMGOJRPX-LZLYRXPVSA-N 2 2 345.487 3.019 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929851 461501082 /nfs/dbraw/zinc/50/10/82/461501082.db2.gz WRRLKYSEXGMXEU-USYVTKNRSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929851 461501085 /nfs/dbraw/zinc/50/10/85/461501085.db2.gz WRRLKYSEXGMXEU-USYVTKNRSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929851 461501086 /nfs/dbraw/zinc/50/10/86/461501086.db2.gz WRRLKYSEXGMXEU-USYVTKNRSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929851 461501090 /nfs/dbraw/zinc/50/10/90/461501090.db2.gz WRRLKYSEXGMXEU-USYVTKNRSA-N 2 2 347.547 3.020 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cnc21 ZINC000655858297 461506342 /nfs/dbraw/zinc/50/63/42/461506342.db2.gz XNNIROZYZQZRIT-MSOLQXFVSA-N 2 2 327.476 3.119 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cnc21 ZINC000655858297 461506351 /nfs/dbraw/zinc/50/63/51/461506351.db2.gz XNNIROZYZQZRIT-MSOLQXFVSA-N 2 2 327.476 3.119 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CS[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000638638901 461514096 /nfs/dbraw/zinc/51/40/96/461514096.db2.gz GYHDQYNLPYGIJK-NUJGCVRESA-N 2 2 334.529 3.370 20 0 EGADLP Cc1cc(C)c(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)[nH+]1 ZINC000653181028 461543577 /nfs/dbraw/zinc/54/35/77/461543577.db2.gz VHMUVLGHXQKOSJ-UHFFFAOYSA-N 2 2 337.427 3.327 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccccc1 ZINC000638702231 461544609 /nfs/dbraw/zinc/54/46/09/461544609.db2.gz ZHEVLHXBMZFBFS-MJGOQNOKSA-N 2 2 335.455 3.178 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000631101170 461550911 /nfs/dbraw/zinc/55/09/11/461550911.db2.gz HHMFXZWPOKFTPG-KBXCAEBGSA-N 2 2 349.837 3.362 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000631101170 461550914 /nfs/dbraw/zinc/55/09/14/461550914.db2.gz HHMFXZWPOKFTPG-KBXCAEBGSA-N 2 2 349.837 3.362 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000631101172 461551950 /nfs/dbraw/zinc/55/19/50/461551950.db2.gz HHMFXZWPOKFTPG-KSSFIOAISA-N 2 2 349.837 3.362 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000631101172 461551959 /nfs/dbraw/zinc/55/19/59/461551959.db2.gz HHMFXZWPOKFTPG-KSSFIOAISA-N 2 2 349.837 3.362 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660077792 461573138 /nfs/dbraw/zinc/57/31/38/461573138.db2.gz QEFRFZNUKXRFGV-CJNGLKHVSA-N 2 2 342.468 3.092 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660077792 461573146 /nfs/dbraw/zinc/57/31/46/461573146.db2.gz QEFRFZNUKXRFGV-CJNGLKHVSA-N 2 2 342.468 3.092 20 0 EGADLP Clc1ccc2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cn2c1 ZINC000663345564 461574541 /nfs/dbraw/zinc/57/45/41/461574541.db2.gz KWKNYIQXERBPBC-OAHLLOKOSA-N 2 2 332.879 3.199 20 0 EGADLP Clc1ccc2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cn2c1 ZINC000663345564 461574549 /nfs/dbraw/zinc/57/45/49/461574549.db2.gz KWKNYIQXERBPBC-OAHLLOKOSA-N 2 2 332.879 3.199 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cn21 ZINC000647262715 461596394 /nfs/dbraw/zinc/59/63/94/461596394.db2.gz LWPWTTMHKXQWCJ-GHTZIAJQSA-N 2 2 348.494 3.438 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cn21 ZINC000647262715 461596404 /nfs/dbraw/zinc/59/64/04/461596404.db2.gz LWPWTTMHKXQWCJ-GHTZIAJQSA-N 2 2 348.494 3.438 20 0 EGADLP CCc1nc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000643249872 461649459 /nfs/dbraw/zinc/64/94/59/461649459.db2.gz YYGMKBOAWPBQQL-UHFFFAOYSA-N 2 2 345.512 3.170 20 0 EGADLP CCc1nc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000643249872 461649468 /nfs/dbraw/zinc/64/94/68/461649468.db2.gz YYGMKBOAWPBQQL-UHFFFAOYSA-N 2 2 345.512 3.170 20 0 EGADLP Brc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)[C@@H]2CCCO2)cc1 ZINC000643507168 461749547 /nfs/dbraw/zinc/74/95/47/461749547.db2.gz UVHFRCVNTYJVKV-JKSUJKDBSA-N 2 2 339.277 3.011 20 0 EGADLP CSc1cc(Br)ccc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531321 461749735 /nfs/dbraw/zinc/74/97/35/461749735.db2.gz OKOJXOLIPHHUNH-UHFFFAOYSA-N 2 2 329.307 3.484 20 0 EGADLP Clc1cccc([C@H]2C[NH2+]CCN2Cc2c[nH+]c3ccccn23)c1 ZINC000647536687 461753150 /nfs/dbraw/zinc/75/31/50/461753150.db2.gz VSBMKYOHLJOFPA-QGZVFWFLSA-N 2 2 326.831 3.134 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000643528793 461754161 /nfs/dbraw/zinc/75/41/61/461754161.db2.gz OXMQWSLRDJNEAB-VHSXEESVSA-N 2 2 327.259 3.485 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140430 461757474 /nfs/dbraw/zinc/75/74/74/461757474.db2.gz XNIMISHIYRJKQP-BFVZDQMLSA-N 2 2 343.240 3.094 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140430 461757476 /nfs/dbraw/zinc/75/74/76/461757476.db2.gz XNIMISHIYRJKQP-BFVZDQMLSA-N 2 2 343.240 3.094 20 0 EGADLP COC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1F ZINC000643548939 461760385 /nfs/dbraw/zinc/76/03/85/461760385.db2.gz XTCALBFNDKMGIK-SWLSCSKDSA-N 2 2 326.843 3.431 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000639145617 461761716 /nfs/dbraw/zinc/76/17/16/461761716.db2.gz UAZYXUKPNJWEHB-IAGOWNOFSA-N 2 2 332.879 3.417 20 0 EGADLP FC(F)(F)c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000660420373 461767125 /nfs/dbraw/zinc/76/71/25/461767125.db2.gz QVXTYKACCTUKKB-UHFFFAOYSA-N 2 2 344.768 3.404 20 0 EGADLP COc1cccc(SCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000660437288 461779035 /nfs/dbraw/zinc/77/90/35/461779035.db2.gz WZPVKNPELHEQSG-QGZVFWFLSA-N 2 2 330.453 3.336 20 0 EGADLP COc1cccc(SCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000660437288 461779039 /nfs/dbraw/zinc/77/90/39/461779039.db2.gz WZPVKNPELHEQSG-QGZVFWFLSA-N 2 2 330.453 3.336 20 0 EGADLP CO[C@H](Cc1ccccc1)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639178273 461785973 /nfs/dbraw/zinc/78/59/73/461785973.db2.gz GXVNHOXXYWYKDA-OAQYLSRUSA-N 2 2 342.483 3.434 20 0 EGADLP CO[C@H](Cc1ccccc1)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639178273 461785980 /nfs/dbraw/zinc/78/59/80/461785980.db2.gz GXVNHOXXYWYKDA-OAQYLSRUSA-N 2 2 342.483 3.434 20 0 EGADLP c1c(C[NH2+]C[C@H]2CCCC[NH2+]2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000666770332 461795268 /nfs/dbraw/zinc/79/52/68/461795268.db2.gz VCFWYYVXXZWMHD-LJQANCHMSA-N 2 2 347.466 3.166 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(OC)c1 ZINC000647789133 461835500 /nfs/dbraw/zinc/83/55/00/461835500.db2.gz ZDKPRZKVIXWXLC-CTAFRAEOSA-N 3 2 345.531 3.056 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000666886309 461852119 /nfs/dbraw/zinc/85/21/19/461852119.db2.gz NWRJCIMKPOAQNR-OXQOHEQNSA-N 2 2 347.466 3.164 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCC1 ZINC000656788861 461899704 /nfs/dbraw/zinc/89/97/04/461899704.db2.gz FAMNIFQIPRJICM-INIZCTEOSA-N 2 2 338.879 3.259 20 0 EGADLP c1cn(-c2csc(CNc3ccc([C@H]4C[NH2+]CCO4)cc3)c2)c[nH+]1 ZINC000656793185 461903210 /nfs/dbraw/zinc/90/32/10/461903210.db2.gz QIKJFFKOJSJUHQ-GOSISDBHSA-N 2 2 340.452 3.207 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653949 461906091 /nfs/dbraw/zinc/90/60/91/461906091.db2.gz DVJWJLUSVQAFBB-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653949 461906096 /nfs/dbraw/zinc/90/60/96/461906096.db2.gz DVJWJLUSVQAFBB-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660653949 461906102 /nfs/dbraw/zinc/90/61/02/461906102.db2.gz DVJWJLUSVQAFBB-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660653949 461906104 /nfs/dbraw/zinc/90/61/04/461906104.db2.gz DVJWJLUSVQAFBB-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655261 461906259 /nfs/dbraw/zinc/90/62/59/461906259.db2.gz LLKGPVKDCLJEPV-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655261 461906268 /nfs/dbraw/zinc/90/62/68/461906268.db2.gz LLKGPVKDCLJEPV-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655261 461906276 /nfs/dbraw/zinc/90/62/76/461906276.db2.gz LLKGPVKDCLJEPV-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655261 461906279 /nfs/dbraw/zinc/90/62/79/461906279.db2.gz LLKGPVKDCLJEPV-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000647957856 461908671 /nfs/dbraw/zinc/90/86/71/461908671.db2.gz OXSVMKPRTSPPDY-MRXNPFEDSA-N 2 2 347.528 3.177 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000647957856 461908675 /nfs/dbraw/zinc/90/86/75/461908675.db2.gz OXSVMKPRTSPPDY-MRXNPFEDSA-N 2 2 347.528 3.177 20 0 EGADLP Cc1cccc2[nH+]c(CN3CCC([NH2+]Cc4ccccc4)CC3)cn21 ZINC000660678965 461921541 /nfs/dbraw/zinc/92/15/41/461921541.db2.gz KNWBVFJKDKRKEX-UHFFFAOYSA-N 2 2 334.467 3.397 20 0 EGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1F ZINC000667051238 461929768 /nfs/dbraw/zinc/92/97/68/461929768.db2.gz SZFLHWQKIONGOP-UCLAIMLFSA-N 2 2 326.415 3.119 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1F ZINC000667051238 461929772 /nfs/dbraw/zinc/92/97/72/461929772.db2.gz SZFLHWQKIONGOP-UCLAIMLFSA-N 2 2 326.415 3.119 20 0 EGADLP CC(C)Cn1nccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000648008496 461937618 /nfs/dbraw/zinc/93/76/18/461937618.db2.gz LCHADIHSQAQNBF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1nccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000648008496 461937627 /nfs/dbraw/zinc/93/76/27/461937627.db2.gz LCHADIHSQAQNBF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1nccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648008496 461937635 /nfs/dbraw/zinc/93/76/35/461937635.db2.gz LCHADIHSQAQNBF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1nccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648008496 461937644 /nfs/dbraw/zinc/93/76/44/461937644.db2.gz LCHADIHSQAQNBF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000644551009 461982910 /nfs/dbraw/zinc/98/29/10/461982910.db2.gz ZZTSYFBIUXHQFK-YESZJQIVSA-N 2 2 342.405 3.087 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000644551009 461982915 /nfs/dbraw/zinc/98/29/15/461982915.db2.gz ZZTSYFBIUXHQFK-YESZJQIVSA-N 2 2 342.405 3.087 20 0 EGADLP Cc1cccn2cc(CC[NH2+]C[C@H](O)Cc3cccc(Cl)c3)[nH+]c12 ZINC000644581855 461996466 /nfs/dbraw/zinc/99/64/66/461996466.db2.gz VOAIVXKNGMCBLB-GOSISDBHSA-N 2 2 343.858 3.032 20 0 EGADLP CSc1cccc(F)c1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644644730 462020283 /nfs/dbraw/zinc/02/02/83/462020283.db2.gz UTYNKOYWBUYOGL-INIZCTEOSA-N 2 2 348.487 3.130 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2sccc2c1 ZINC000644649705 462022861 /nfs/dbraw/zinc/02/28/61/462022861.db2.gz GHSUAXYTXALZBA-IBGZPJMESA-N 2 2 340.492 3.484 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2sccc2c1 ZINC000644649705 462022866 /nfs/dbraw/zinc/02/28/66/462022866.db2.gz GHSUAXYTXALZBA-IBGZPJMESA-N 2 2 340.492 3.484 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000639640514 462033251 /nfs/dbraw/zinc/03/32/51/462033251.db2.gz KJHBMQFEGYWOTF-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000639640514 462033260 /nfs/dbraw/zinc/03/32/60/462033260.db2.gz KJHBMQFEGYWOTF-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657309724 462035317 /nfs/dbraw/zinc/03/53/17/462035317.db2.gz RDZOBAIFYODQDC-UHFFFAOYSA-N 2 2 326.488 3.261 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657313796 462038424 /nfs/dbraw/zinc/03/84/24/462038424.db2.gz SUYNXTRJKJKWFU-LBPRGKRZSA-N 2 2 334.261 3.313 20 0 EGADLP Fc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1OC(F)F ZINC000657319402 462043024 /nfs/dbraw/zinc/04/30/24/462043024.db2.gz XFHUEINDRBJRHN-UHFFFAOYSA-N 2 2 328.378 3.391 20 0 EGADLP FC(F)(F)c1ccccc1OCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657353742 462067410 /nfs/dbraw/zinc/06/74/10/462067410.db2.gz UXTGKEZIACFWQD-UHFFFAOYSA-N 2 2 325.334 3.017 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432068 462119491 /nfs/dbraw/zinc/11/94/91/462119491.db2.gz NSZAESPXXFSUMK-HMXCVIKNSA-N 3 2 338.499 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432068 462119494 /nfs/dbraw/zinc/11/94/94/462119494.db2.gz NSZAESPXXFSUMK-HMXCVIKNSA-N 3 2 338.499 3.119 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1c[nH+]c2n1CCC2 ZINC000657438972 462123769 /nfs/dbraw/zinc/12/37/69/462123769.db2.gz YGCMGLZYCHHIEK-IBGZPJMESA-N 2 2 326.488 3.076 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1c[nH+]c2n1CCC2 ZINC000657438972 462123777 /nfs/dbraw/zinc/12/37/77/462123777.db2.gz YGCMGLZYCHHIEK-IBGZPJMESA-N 2 2 326.488 3.076 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000648451838 462124947 /nfs/dbraw/zinc/12/49/47/462124947.db2.gz OFHSUNPBNXGKPG-SJORKVTESA-N 2 2 326.550 3.285 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210987 462135177 /nfs/dbraw/zinc/13/51/77/462135177.db2.gz PRGOJEMHFBDDPL-IEBWSBKVSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210987 462135183 /nfs/dbraw/zinc/13/51/83/462135183.db2.gz PRGOJEMHFBDDPL-IEBWSBKVSA-N 2 2 326.488 3.466 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccncc1OCc1ccccc1)CCC2 ZINC000657460765 462137407 /nfs/dbraw/zinc/13/74/07/462137407.db2.gz KXMWUFIYIGFWET-UHFFFAOYSA-N 2 2 334.423 3.093 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560753 462143683 /nfs/dbraw/zinc/14/36/83/462143683.db2.gz BSPDZLJPPXQKHR-IEBWSBKVSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560753 462143688 /nfs/dbraw/zinc/14/36/88/462143688.db2.gz BSPDZLJPPXQKHR-IEBWSBKVSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560753 462143691 /nfs/dbraw/zinc/14/36/91/462143691.db2.gz BSPDZLJPPXQKHR-IEBWSBKVSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560753 462143697 /nfs/dbraw/zinc/14/36/97/462143697.db2.gz BSPDZLJPPXQKHR-IEBWSBKVSA-N 2 2 330.520 3.380 20 0 EGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)Cc1cccc(OC(F)(F)F)c1 ZINC000667702219 462223403 /nfs/dbraw/zinc/22/34/03/462223403.db2.gz QBJFGWCBIIBZES-UHFFFAOYSA-N 2 2 325.334 3.360 20 0 EGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)Cc1cccc(OC(F)(F)F)c1 ZINC000667702219 462223407 /nfs/dbraw/zinc/22/34/07/462223407.db2.gz QBJFGWCBIIBZES-UHFFFAOYSA-N 2 2 325.334 3.360 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657743064 462248219 /nfs/dbraw/zinc/24/82/19/462248219.db2.gz YIABEPRPYDDGNV-IBGZPJMESA-N 2 2 335.923 3.378 20 0 EGADLP CCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657743064 462248225 /nfs/dbraw/zinc/24/82/25/462248225.db2.gz YIABEPRPYDDGNV-IBGZPJMESA-N 2 2 335.923 3.378 20 0 EGADLP Fc1ccc(C(F)(F)F)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750199 462250342 /nfs/dbraw/zinc/25/03/42/462250342.db2.gz CSIPDZKAGDAYQL-HNNXBMFYSA-N 2 2 346.368 3.187 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657813727 462280017 /nfs/dbraw/zinc/28/00/17/462280017.db2.gz YRBRIQVWKDLQJL-AVRDEDQJSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657813727 462280020 /nfs/dbraw/zinc/28/00/20/462280020.db2.gz YRBRIQVWKDLQJL-AVRDEDQJSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnnn1-c1ccccc1)c1ccccc1 ZINC000651711207 462312513 /nfs/dbraw/zinc/31/25/13/462312513.db2.gz BSNXFHNKFIVFNP-QGZVFWFLSA-N 2 2 349.482 3.486 20 0 EGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1c1c[nH+]cn1CC ZINC000648906548 462326053 /nfs/dbraw/zinc/32/60/53/462326053.db2.gz ABCKOQJRELUCIL-HOTGVXAUSA-N 2 2 343.475 3.367 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCc3cccnc32)cc1F ZINC000665252909 462370845 /nfs/dbraw/zinc/37/08/45/462370845.db2.gz ABPNJBRQWZPERW-IPELMVKDSA-N 2 2 343.421 3.473 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000665296753 462390773 /nfs/dbraw/zinc/39/07/73/462390773.db2.gz XKPQZYHJUGOOKP-WFASDCNBSA-N 2 2 331.485 3.394 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000668075217 462404411 /nfs/dbraw/zinc/40/44/11/462404411.db2.gz MKOQBBDLDKSHRE-UHFFFAOYSA-N 2 2 326.444 3.040 20 0 EGADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000668107132 462423993 /nfs/dbraw/zinc/42/39/93/462423993.db2.gz WOSZNNIDIXACOS-OAHLLOKOSA-N 2 2 328.460 3.358 20 0 EGADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000668107132 462423997 /nfs/dbraw/zinc/42/39/97/462423997.db2.gz WOSZNNIDIXACOS-OAHLLOKOSA-N 2 2 328.460 3.358 20 0 EGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nccn1CC(F)(F)F ZINC000640530728 462430519 /nfs/dbraw/zinc/43/05/19/462430519.db2.gz HLGDCGSVRVKQFS-UHFFFAOYSA-N 2 2 332.414 3.143 20 0 EGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nccn1CC(F)(F)F ZINC000640530728 462430522 /nfs/dbraw/zinc/43/05/22/462430522.db2.gz HLGDCGSVRVKQFS-UHFFFAOYSA-N 2 2 332.414 3.143 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000658243227 462441276 /nfs/dbraw/zinc/44/12/76/462441276.db2.gz YRQVSAXRLYEVNH-ZWKOTPCHSA-N 2 2 331.504 3.138 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC(C)(C)CC[NH+]3CCCCCC3)ccn12 ZINC000655006711 462449379 /nfs/dbraw/zinc/44/93/79/462449379.db2.gz HIZOAMBTLXHZIY-UHFFFAOYSA-N 2 2 342.487 3.417 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283816 462455406 /nfs/dbraw/zinc/45/54/06/462455406.db2.gz DDIBJSQTDAMUTE-HUUCEWRRSA-N 2 2 327.472 3.108 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283816 462455411 /nfs/dbraw/zinc/45/54/11/462455411.db2.gz DDIBJSQTDAMUTE-HUUCEWRRSA-N 2 2 327.472 3.108 20 0 EGADLP CCc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)nc[nH+]1 ZINC000603495233 479395481 /nfs/dbraw/zinc/39/54/81/479395481.db2.gz NZEHDEQNELUMND-INIZCTEOSA-N 2 2 340.471 3.351 20 0 EGADLP C[C@H](CC[NH2+]Cc1cn(C(C)(C)C)nn1)[N@H+](C)Cc1ccccc1 ZINC000191265338 533941096 /nfs/dbraw/zinc/94/10/96/533941096.db2.gz GNTMKQNCVBPKOU-MRXNPFEDSA-N 2 2 329.492 3.033 20 0 EGADLP C[C@H](CC[NH2+]Cc1cn(C(C)(C)C)nn1)[N@@H+](C)Cc1ccccc1 ZINC000191265338 533941104 /nfs/dbraw/zinc/94/11/04/533941104.db2.gz GNTMKQNCVBPKOU-MRXNPFEDSA-N 2 2 329.492 3.033 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)cc1 ZINC000132879274 533947470 /nfs/dbraw/zinc/94/74/70/533947470.db2.gz VNTZGXOAMAGCKO-UHFFFAOYSA-N 2 2 339.395 3.110 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(Br)s1)C[NH+]1CCOCC1 ZINC000153155789 534125332 /nfs/dbraw/zinc/12/53/32/534125332.db2.gz LPBXSLHHGAMLRE-VXGBXAGGSA-N 2 2 347.322 3.130 20 0 EGADLP COC(=O)Nc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000040120123 523468050 /nfs/dbraw/zinc/46/80/50/523468050.db2.gz DCMZSVSDYOLMBD-UHFFFAOYSA-N 2 2 336.395 3.340 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)n1 ZINC000153650095 534751197 /nfs/dbraw/zinc/75/11/97/534751197.db2.gz ONJFHPSLPOEAOW-LBPRGKRZSA-N 2 2 325.391 3.269 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)CCn3cccn3)c(C)c2)CC1 ZINC000159219625 527708884 /nfs/dbraw/zinc/70/88/84/527708884.db2.gz ATMXBKUGRWPOFW-GOSISDBHSA-N 2 2 341.503 3.224 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000159313890 528986207 /nfs/dbraw/zinc/98/62/07/528986207.db2.gz AJAMOHRZEIQANX-LBPRGKRZSA-N 2 2 326.868 3.492 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000246815800 534948668 /nfs/dbraw/zinc/94/86/68/534948668.db2.gz AVTQVXPDJICUPS-ZBFHGGJFSA-N 2 2 345.466 3.097 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000246815800 534948678 /nfs/dbraw/zinc/94/86/78/534948678.db2.gz AVTQVXPDJICUPS-ZBFHGGJFSA-N 2 2 345.466 3.097 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC4(CCOCC4)CC3)sc2C1 ZINC000342819356 535251666 /nfs/dbraw/zinc/25/16/66/535251666.db2.gz AOSKHEGGDPCTNZ-UHFFFAOYSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC4(CCOCC4)CC3)sc2C1 ZINC000342819356 535251671 /nfs/dbraw/zinc/25/16/71/535251671.db2.gz AOSKHEGGDPCTNZ-UHFFFAOYSA-N 2 2 349.544 3.302 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)CC(=O)Nc1ccccc1OC ZINC000353443825 535727306 /nfs/dbraw/zinc/72/73/06/535727306.db2.gz AOAFZTLDCIWRIM-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)CC(=O)Nc1ccccc1OC ZINC000353443825 535727310 /nfs/dbraw/zinc/72/73/10/535727310.db2.gz AOAFZTLDCIWRIM-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP CCc1cc(N[C@H](C)CCC[NH+](CC)CC)nc(-c2ccncc2)[nH+]1 ZINC000344894814 536089817 /nfs/dbraw/zinc/08/98/17/536089817.db2.gz CADDDIHBTJWZHI-MRXNPFEDSA-N 2 2 341.503 3.445 20 0 EGADLP C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CCn1cc[nH+]c1 ZINC000372317366 536359722 /nfs/dbraw/zinc/35/97/22/536359722.db2.gz XJOJFYJVNYTNJM-UHFFFAOYSA-N 2 2 328.391 3.242 20 0 EGADLP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CCn1cc[nH+]c1 ZINC000372317366 536359726 /nfs/dbraw/zinc/35/97/26/536359726.db2.gz XJOJFYJVNYTNJM-UHFFFAOYSA-N 2 2 328.391 3.242 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246967192 536673894 /nfs/dbraw/zinc/67/38/94/536673894.db2.gz VFKANLOSVYHDOS-KXBFYZLASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000246967192 536673899 /nfs/dbraw/zinc/67/38/99/536673899.db2.gz VFKANLOSVYHDOS-KXBFYZLASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000246967192 536673902 /nfs/dbraw/zinc/67/39/02/536673902.db2.gz VFKANLOSVYHDOS-KXBFYZLASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246967192 536673908 /nfs/dbraw/zinc/67/39/08/536673908.db2.gz VFKANLOSVYHDOS-KXBFYZLASA-N 2 2 346.446 3.061 20 0 EGADLP Cc1cccn2cc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[nH+]c12 ZINC000080236241 546598423 /nfs/dbraw/zinc/59/84/23/546598423.db2.gz AQZAYRSRLYNGFH-UHFFFAOYSA-N 3 2 348.494 3.439 20 0 EGADLP C[C@@H]1C[C@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230910 546598695 /nfs/dbraw/zinc/59/86/95/546598695.db2.gz MBRNWIPSHVHWPN-SJLPKXTDSA-N 2 2 348.454 3.127 20 0 EGADLP C[C@@H]1C[C@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@H+]1Cc1ccccc1 ZINC000080230910 546598698 /nfs/dbraw/zinc/59/86/98/546598698.db2.gz MBRNWIPSHVHWPN-SJLPKXTDSA-N 2 2 348.454 3.127 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)c1 ZINC000154872599 546896490 /nfs/dbraw/zinc/89/64/90/546896490.db2.gz LSXVXJJFVZIJAZ-DYESRHJHSA-N 3 2 345.531 3.152 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000163040509 546969048 /nfs/dbraw/zinc/96/90/48/546969048.db2.gz QORQVENWIPJYHK-KRWDZBQOSA-N 3 2 339.593 3.058 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000163726030 546974936 /nfs/dbraw/zinc/97/49/36/546974936.db2.gz NQKZZZTXNOMEJE-CYBMUJFWSA-N 2 2 328.403 3.049 20 0 EGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840573 547189401 /nfs/dbraw/zinc/18/94/01/547189401.db2.gz LQYWCIFWCNSNRM-GHTZIAJQSA-N 2 2 342.483 3.481 20 0 EGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840573 547189407 /nfs/dbraw/zinc/18/94/07/547189407.db2.gz LQYWCIFWCNSNRM-GHTZIAJQSA-N 2 2 342.483 3.481 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000286286299 547392806 /nfs/dbraw/zinc/39/28/06/547392806.db2.gz VZZDIHBRSAVCRH-HUUCEWRRSA-N 2 2 345.466 3.103 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000339066265 547569193 /nfs/dbraw/zinc/56/91/93/547569193.db2.gz JMSJOXDGMWICSQ-SJORKVTESA-N 3 2 328.435 3.036 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000339066265 547569197 /nfs/dbraw/zinc/56/91/97/547569197.db2.gz JMSJOXDGMWICSQ-SJORKVTESA-N 3 2 328.435 3.036 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000359007617 547749243 /nfs/dbraw/zinc/74/92/43/547749243.db2.gz UWOSHOHSOCSSRF-WMZOPIPTSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000359007617 547749245 /nfs/dbraw/zinc/74/92/45/547749245.db2.gz UWOSHOHSOCSSRF-WMZOPIPTSA-N 2 2 330.472 3.298 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541931 547827560 /nfs/dbraw/zinc/82/75/60/547827560.db2.gz HNSORXKMEVQWCS-HSALFYBXSA-N 2 2 346.515 3.071 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541931 547827567 /nfs/dbraw/zinc/82/75/67/547827567.db2.gz HNSORXKMEVQWCS-HSALFYBXSA-N 2 2 346.515 3.071 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415183726 547864437 /nfs/dbraw/zinc/86/44/37/547864437.db2.gz JAJUKRRRVUEIDK-KGLIPLIRSA-N 2 2 326.400 3.265 20 0 EGADLP CCn1ccc(C[N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000671243740 548267646 /nfs/dbraw/zinc/26/76/46/548267646.db2.gz SAUUUYKXGXUVQU-NRFANRHFSA-N 2 2 341.499 3.231 20 0 EGADLP CCn1ccc(C[N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000671243740 548267650 /nfs/dbraw/zinc/26/76/50/548267650.db2.gz SAUUUYKXGXUVQU-NRFANRHFSA-N 2 2 341.499 3.231 20 0 EGADLP CCn1ccc(C[NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000671243740 548267654 /nfs/dbraw/zinc/26/76/54/548267654.db2.gz SAUUUYKXGXUVQU-NRFANRHFSA-N 2 2 341.499 3.231 20 0 EGADLP CCn1ccc(C[NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000671243740 548267656 /nfs/dbraw/zinc/26/76/56/548267656.db2.gz SAUUUYKXGXUVQU-NRFANRHFSA-N 2 2 341.499 3.231 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000673600436 548580638 /nfs/dbraw/zinc/58/06/38/548580638.db2.gz WKQCAQBHQFCRPI-BZNIZROVSA-N 2 2 343.284 3.449 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccc(F)c3F)c2cc1C ZINC000674717665 548787987 /nfs/dbraw/zinc/78/79/87/548787987.db2.gz OXAZGMYSOYSIAP-HNNXBMFYSA-N 2 2 345.393 3.082 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000675898004 548999844 /nfs/dbraw/zinc/99/98/44/548999844.db2.gz CFHXJSHPJQIVTF-LAUBAEHRSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000675898004 548999847 /nfs/dbraw/zinc/99/98/47/548999847.db2.gz CFHXJSHPJQIVTF-LAUBAEHRSA-N 2 2 342.458 3.422 20 0 EGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000676236089 549058587 /nfs/dbraw/zinc/05/85/87/549058587.db2.gz VHSOEHYYTOGEBD-ICSRJNTNSA-N 2 2 326.484 3.463 20 0 EGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000676236089 549058591 /nfs/dbraw/zinc/05/85/91/549058591.db2.gz VHSOEHYYTOGEBD-ICSRJNTNSA-N 2 2 326.484 3.463 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H](C)CCCCO)[NH+]2CCCCC2)cc1 ZINC000679329113 549688545 /nfs/dbraw/zinc/68/85/45/549688545.db2.gz ZUKSURNOPFAFFR-YLJYHZDGSA-N 2 2 334.504 3.363 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616003 550120687 /nfs/dbraw/zinc/12/06/87/550120687.db2.gz OVCVNDDOOCWNCX-SXLOBPIMSA-N 2 2 340.515 3.412 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616003 550120689 /nfs/dbraw/zinc/12/06/89/550120689.db2.gz OVCVNDDOOCWNCX-SXLOBPIMSA-N 2 2 340.515 3.412 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000682732549 550137705 /nfs/dbraw/zinc/13/77/05/550137705.db2.gz JUXSMTPNULDEFJ-LJQANCHMSA-N 2 2 332.488 3.118 20 0 EGADLP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078772 550187496 /nfs/dbraw/zinc/18/74/96/550187496.db2.gz IJWDCLZRMIPRTG-HUUCEWRRSA-N 2 2 345.491 3.109 20 0 EGADLP c1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[nH]c2ccccc12 ZINC000683927918 550274503 /nfs/dbraw/zinc/27/45/03/550274503.db2.gz RBAFVONUEKQSAR-UHFFFAOYSA-N 2 2 335.451 3.290 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000684378226 550322048 /nfs/dbraw/zinc/32/20/48/550322048.db2.gz WQQHMRQADVYDNT-RVKKMQEKSA-N 2 2 332.488 3.270 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000684378226 550322049 /nfs/dbraw/zinc/32/20/49/550322049.db2.gz WQQHMRQADVYDNT-RVKKMQEKSA-N 2 2 332.488 3.270 20 0 EGADLP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000685584743 550430535 /nfs/dbraw/zinc/43/05/35/550430535.db2.gz MOXHCJKPZYAWRL-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1nc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC000685584743 550430536 /nfs/dbraw/zinc/43/05/36/550430536.db2.gz MOXHCJKPZYAWRL-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1nc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC000685584743 550430538 /nfs/dbraw/zinc/43/05/38/550430538.db2.gz MOXHCJKPZYAWRL-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP Cc1nc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000685584743 550430539 /nfs/dbraw/zinc/43/05/39/550430539.db2.gz MOXHCJKPZYAWRL-HXUWFJFHSA-N 2 2 325.456 3.389 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000727465559 574669525 /nfs/dbraw/zinc/66/95/25/574669525.db2.gz BSADHHWJPKAGBN-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000727465559 574669526 /nfs/dbraw/zinc/66/95/26/574669526.db2.gz BSADHHWJPKAGBN-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000733333351 575329068 /nfs/dbraw/zinc/32/90/68/575329068.db2.gz DUXSITDLYAEHPV-OAHLLOKOSA-N 2 2 340.496 3.446 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000733333351 575329070 /nfs/dbraw/zinc/32/90/70/575329070.db2.gz DUXSITDLYAEHPV-OAHLLOKOSA-N 2 2 340.496 3.446 20 0 EGADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000693698136 1298150886 /nfs/dbraw/zinc/15/08/86/1298150886.db2.gz TWQRCQVVVYRPIK-ZCNNSNEGSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000068256560 1292195282 /nfs/dbraw/zinc/19/52/82/1292195282.db2.gz SRCNRZVARRETQL-INIZCTEOSA-N 2 2 348.450 3.425 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615855 1293123986 /nfs/dbraw/zinc/12/39/86/1293123986.db2.gz JHYBGPOSKCRLLG-JKSUJKDBSA-N 2 2 348.491 3.261 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCOC1 ZINC000122351983 1293410303 /nfs/dbraw/zinc/41/03/03/1293410303.db2.gz FBLYNFNIDNBVJG-OXQOHEQNSA-N 2 2 331.504 3.126 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000131029388 1293677444 /nfs/dbraw/zinc/67/74/44/1293677444.db2.gz OKLDXOIRDXJCJK-HNNXBMFYSA-N 2 2 339.439 3.126 20 0 EGADLP CCCn1nc(C)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000132934844 1293732805 /nfs/dbraw/zinc/73/28/05/1293732805.db2.gz MWHAIAVWHAMQOJ-UHFFFAOYSA-N 2 2 337.471 3.445 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000182724978 1295070803 /nfs/dbraw/zinc/07/08/03/1295070803.db2.gz ACHPJKOEAMNLLC-KRWDZBQOSA-N 2 2 339.524 3.242 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000189988636 1295556278 /nfs/dbraw/zinc/55/62/78/1295556278.db2.gz NUEOBIBLQABNDO-LSDHHAIUSA-N 2 2 344.459 3.436 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421598 1296306631 /nfs/dbraw/zinc/30/66/31/1296306631.db2.gz IASWOSXRMAXHBF-QUCCMNQESA-N 2 2 343.515 3.154 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421598 1296306648 /nfs/dbraw/zinc/30/66/48/1296306648.db2.gz IASWOSXRMAXHBF-QUCCMNQESA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421598 1296306664 /nfs/dbraw/zinc/30/66/64/1296306664.db2.gz IASWOSXRMAXHBF-QUCCMNQESA-N 2 2 343.515 3.154 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000245421598 1296306679 /nfs/dbraw/zinc/30/66/79/1296306679.db2.gz IASWOSXRMAXHBF-QUCCMNQESA-N 2 2 343.515 3.154 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1F ZINC000872058563 1296705771 /nfs/dbraw/zinc/70/57/71/1296705771.db2.gz VRTCLNZUGFUAAE-HIFRSBDPSA-N 2 2 344.434 3.240 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1 ZINC000289569837 1296745683 /nfs/dbraw/zinc/74/56/83/1296745683.db2.gz SJBXRUSLBNOSTR-KDOFPFPSSA-N 2 2 338.459 3.357 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303032167 1296812592 /nfs/dbraw/zinc/81/25/92/1296812592.db2.gz ALWSYLWFDLELDQ-KUHUBIRLSA-N 2 2 325.387 3.396 20 0 EGADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000321271899 1297177357 /nfs/dbraw/zinc/17/73/57/1297177357.db2.gz FBXDQSLJUDIIDA-OAHLLOKOSA-N 2 2 327.350 3.005 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000324826198 1297216564 /nfs/dbraw/zinc/21/65/64/1297216564.db2.gz AZNVGXQIKCQQQP-RDTXWAMCSA-N 2 2 329.444 3.420 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1C ZINC000873203302 1297347450 /nfs/dbraw/zinc/34/74/50/1297347450.db2.gz XQFBCQBWRSYTIY-UHFFFAOYSA-N 2 2 343.496 3.081 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1C ZINC000873203302 1297347466 /nfs/dbraw/zinc/34/74/66/1297347466.db2.gz XQFBCQBWRSYTIY-UHFFFAOYSA-N 2 2 343.496 3.081 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCCCC34CC[NH2+]CC4)c2)c[nH+]1 ZINC000873232555 1297374400 /nfs/dbraw/zinc/37/44/00/1297374400.db2.gz GQPGRZARIVJDFZ-QGZVFWFLSA-N 3 2 330.501 3.336 20 0 EGADLP COc1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000390771022 1297633554 /nfs/dbraw/zinc/63/35/54/1297633554.db2.gz LJPZWDXSMGRHPC-GOSISDBHSA-N 2 2 331.485 3.154 20 0 EGADLP COc1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000390771022 1297633565 /nfs/dbraw/zinc/63/35/65/1297633565.db2.gz LJPZWDXSMGRHPC-GOSISDBHSA-N 2 2 331.485 3.154 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)c(C)n2n1 ZINC000392728993 1297659791 /nfs/dbraw/zinc/65/97/91/1297659791.db2.gz UUSLCVMRPLNTJY-YOEHRIQHSA-N 2 2 340.475 3.308 20 0 EGADLP c1sc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1-c1ccccc1 ZINC000393372920 1297666515 /nfs/dbraw/zinc/66/65/15/1297666515.db2.gz HPNUHKZETFVUGE-ZWKOTPCHSA-N 2 2 328.481 3.368 20 0 EGADLP c1sc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1-c1ccccc1 ZINC000393372920 1297666525 /nfs/dbraw/zinc/66/65/25/1297666525.db2.gz HPNUHKZETFVUGE-ZWKOTPCHSA-N 2 2 328.481 3.368 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000401014054 1297736556 /nfs/dbraw/zinc/73/65/56/1297736556.db2.gz CPWLYCYRGUOCKY-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000401014054 1297736561 /nfs/dbraw/zinc/73/65/61/1297736561.db2.gz CPWLYCYRGUOCKY-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000401014054 1297736574 /nfs/dbraw/zinc/73/65/74/1297736574.db2.gz CPWLYCYRGUOCKY-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000401014054 1297736582 /nfs/dbraw/zinc/73/65/82/1297736582.db2.gz CPWLYCYRGUOCKY-DLBZAZTESA-N 2 2 343.496 3.106 20 0 EGADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000701892668 1298191109 /nfs/dbraw/zinc/19/11/09/1298191109.db2.gz KSBZQWVPLNWEHF-HNNXBMFYSA-N 2 2 344.459 3.217 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccncc1Br ZINC000703772034 1298202459 /nfs/dbraw/zinc/20/24/59/1298202459.db2.gz ZZTHCNFRTWAHHT-AWEZNQCLSA-N 2 2 337.265 3.245 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042950 1298307447 /nfs/dbraw/zinc/30/74/47/1298307447.db2.gz VWPNQFZGTRDDPZ-XUVXKRRUSA-N 2 2 328.500 3.444 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042950 1298307458 /nfs/dbraw/zinc/30/74/58/1298307458.db2.gz VWPNQFZGTRDDPZ-XUVXKRRUSA-N 2 2 328.500 3.444 20 0 EGADLP O[C@@H](C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000747681173 1298828998 /nfs/dbraw/zinc/82/89/98/1298828998.db2.gz HVKXWESSFUGCAK-ZDUSSCGKSA-N 2 2 329.271 3.029 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000876885583 1299050443 /nfs/dbraw/zinc/05/04/43/1299050443.db2.gz PKHXCAZCZPFCJB-UHFFFAOYSA-N 2 2 330.432 3.410 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(Cl)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168409 1299190867 /nfs/dbraw/zinc/19/08/67/1299190867.db2.gz SZHDPBDWFYKKOS-HOCLYGCPSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(Cl)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168409 1299190874 /nfs/dbraw/zinc/19/08/74/1299190874.db2.gz SZHDPBDWFYKKOS-HOCLYGCPSA-N 2 2 330.863 3.130 20 0 EGADLP C[N@H+](Cc1ccc(OC(F)F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877518049 1299362360 /nfs/dbraw/zinc/36/23/60/1299362360.db2.gz QTVHIOZBCHCBPQ-PBWFPOADSA-N 2 2 328.378 3.484 20 0 EGADLP C[N@@H+](Cc1ccc(OC(F)F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877518049 1299362369 /nfs/dbraw/zinc/36/23/69/1299362369.db2.gz QTVHIOZBCHCBPQ-PBWFPOADSA-N 2 2 328.378 3.484 20 0 EGADLP C[NH+](Cc1ccc(OC(F)F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877518049 1299362380 /nfs/dbraw/zinc/36/23/80/1299362380.db2.gz QTVHIOZBCHCBPQ-PBWFPOADSA-N 2 2 328.378 3.484 20 0 EGADLP C[NH+](Cc1ccc(OC(F)F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877518049 1299362393 /nfs/dbraw/zinc/36/23/93/1299362393.db2.gz QTVHIOZBCHCBPQ-PBWFPOADSA-N 2 2 328.378 3.484 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877523331 1299367047 /nfs/dbraw/zinc/36/70/47/1299367047.db2.gz IIRRGCQQNFPEJM-HZMVEIRTSA-N 2 2 339.524 3.094 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858894 1301179218 /nfs/dbraw/zinc/17/92/18/1301179218.db2.gz PSTDCADWQICMRZ-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858894 1301179221 /nfs/dbraw/zinc/17/92/21/1301179221.db2.gz PSTDCADWQICMRZ-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP COc1ccc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000763473493 1301910253 /nfs/dbraw/zinc/91/02/53/1301910253.db2.gz SITZVCJDQBENOI-GOSISDBHSA-N 2 2 344.455 3.174 20 0 EGADLP CC1(C)CCCN(c2cc[nH+]c(N3CCC(C)([NH+]4CCC4)CC3)n2)C1 ZINC000882962166 1302185005 /nfs/dbraw/zinc/18/50/05/1302185005.db2.gz JUBAQKCHPMJMBG-UHFFFAOYSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([S@@](C)=O)cc1 ZINC000765254170 1302228597 /nfs/dbraw/zinc/22/85/97/1302228597.db2.gz XKHVOMCQBRBRPD-DJKDLEHESA-N 2 2 333.501 3.386 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000765675131 1302303275 /nfs/dbraw/zinc/30/32/75/1302303275.db2.gz GZMCUVRPZSZZNY-WIYYLYMNSA-N 2 2 343.515 3.269 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)c(F)c(F)c1 ZINC000765974519 1302360289 /nfs/dbraw/zinc/36/02/89/1302360289.db2.gz ICDGTMJWOLUADK-IUODEOHRSA-N 2 2 342.405 3.398 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387136 1302425967 /nfs/dbraw/zinc/42/59/67/1302425967.db2.gz SCLUKZABQUXNLD-RTWAWAEBSA-N 2 2 335.451 3.472 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387803 1302426065 /nfs/dbraw/zinc/42/60/65/1302426065.db2.gz FIECHEPXJOTDHY-XHSDSOJGSA-N 2 2 339.361 3.324 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCCO2 ZINC000768511427 1302921332 /nfs/dbraw/zinc/92/13/32/1302921332.db2.gz IWCSBQULMZKOSX-NLWGTHIKSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCCO2 ZINC000768511427 1302921336 /nfs/dbraw/zinc/92/13/36/1302921336.db2.gz IWCSBQULMZKOSX-NLWGTHIKSA-N 2 2 344.499 3.477 20 0 EGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2[nH+]ccn21 ZINC000770396157 1303262071 /nfs/dbraw/zinc/26/20/71/1303262071.db2.gz NJQIGFTXVABCHN-UHFFFAOYSA-N 2 2 348.450 3.250 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)co1 ZINC000886874668 1303622434 /nfs/dbraw/zinc/62/24/34/1303622434.db2.gz TXIPQPJEHVJNNA-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)co1 ZINC000886874668 1303622436 /nfs/dbraw/zinc/62/24/36/1303622436.db2.gz TXIPQPJEHVJNNA-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP COc1cc2c(cc1O)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000887106677 1303678970 /nfs/dbraw/zinc/67/89/70/1303678970.db2.gz JGPONJDGXUUTMZ-UHFFFAOYSA-N 2 2 335.407 3.145 20 0 EGADLP COc1cc2c(cc1O)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000887106677 1303678979 /nfs/dbraw/zinc/67/89/79/1303678979.db2.gz JGPONJDGXUUTMZ-UHFFFAOYSA-N 2 2 335.407 3.145 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c[nH+]1 ZINC000775362070 1303946196 /nfs/dbraw/zinc/94/61/96/1303946196.db2.gz FJIGFBRIGDTTFA-SQNIBIBYSA-N 2 2 345.537 3.401 20 0 EGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c[nH+]1 ZINC000775379319 1303949578 /nfs/dbraw/zinc/94/95/78/1303949578.db2.gz QJMQUENDNNWEQE-HYVNUMGLSA-N 2 2 331.510 3.342 20 0 EGADLP O[C@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)C[NH+]1CCCC1 ZINC000775455767 1303966780 /nfs/dbraw/zinc/96/67/80/1303966780.db2.gz WNVAFUZYLJFODZ-WIYYLYMNSA-N 2 2 342.458 3.156 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000775622374 1303996679 /nfs/dbraw/zinc/99/66/79/1303996679.db2.gz BGEJZKHLQKLGRO-VQHPVUNQSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000775622374 1303996683 /nfs/dbraw/zinc/99/66/83/1303996683.db2.gz BGEJZKHLQKLGRO-VQHPVUNQSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000779038206 1304521989 /nfs/dbraw/zinc/52/19/89/1304521989.db2.gz AHQXIGDBRZYZHC-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000780740289 1304732145 /nfs/dbraw/zinc/73/21/45/1304732145.db2.gz BIEPCAFHEWXLFR-IAGOWNOFSA-N 2 2 347.503 3.064 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CC3 ZINC000782762716 1305010204 /nfs/dbraw/zinc/01/02/04/1305010204.db2.gz CAGHNULGTDZHPT-HUUCEWRRSA-N 2 2 327.472 3.108 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CC3 ZINC000782762716 1305010209 /nfs/dbraw/zinc/01/02/09/1305010209.db2.gz CAGHNULGTDZHPT-HUUCEWRRSA-N 2 2 327.472 3.108 20 0 EGADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)c(F)c1 ZINC000783031693 1305039104 /nfs/dbraw/zinc/03/91/04/1305039104.db2.gz VTLMCYRQOPAVSG-LJQANCHMSA-N 2 2 349.425 3.387 20 0 EGADLP Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CCCn1cc[nH+]c1 ZINC000891566025 1305091606 /nfs/dbraw/zinc/09/16/06/1305091606.db2.gz BCMGFTUFKQSPRQ-GOSISDBHSA-N 2 2 342.487 3.263 20 0 EGADLP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000892633695 1305482260 /nfs/dbraw/zinc/48/22/60/1305482260.db2.gz HPLIETXDEGJTDQ-UHFFFAOYSA-N 2 2 338.459 3.260 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892668802 1305496600 /nfs/dbraw/zinc/49/66/00/1305496600.db2.gz NDGHPQOLVVEGEV-CXAGYDPISA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892668802 1305496607 /nfs/dbraw/zinc/49/66/07/1305496607.db2.gz NDGHPQOLVVEGEV-CXAGYDPISA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH+]cn1 ZINC000892668802 1305496612 /nfs/dbraw/zinc/49/66/12/1305496612.db2.gz NDGHPQOLVVEGEV-CXAGYDPISA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]cn1 ZINC000892668802 1305496617 /nfs/dbraw/zinc/49/66/17/1305496617.db2.gz NDGHPQOLVVEGEV-CXAGYDPISA-N 2 2 331.489 3.099 20 0 EGADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000893098396 1305704590 /nfs/dbraw/zinc/70/45/90/1305704590.db2.gz MVVFLUXLFZAHKW-OXJNMPFZSA-N 2 2 326.488 3.354 20 0 EGADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)n1 ZINC000893098396 1305704594 /nfs/dbraw/zinc/70/45/94/1305704594.db2.gz MVVFLUXLFZAHKW-OXJNMPFZSA-N 2 2 326.488 3.354 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242597 1305906767 /nfs/dbraw/zinc/90/67/67/1305906767.db2.gz FYONYAVLUJRFGE-IXDOHACOSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242597 1305906775 /nfs/dbraw/zinc/90/67/75/1305906775.db2.gz FYONYAVLUJRFGE-IXDOHACOSA-N 2 2 339.524 3.144 20 0 EGADLP COCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893489568 1305923129 /nfs/dbraw/zinc/92/31/29/1305923129.db2.gz ZDZGYJZDJRHESJ-JKSUJKDBSA-N 2 2 336.476 3.047 20 0 EGADLP COCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893489568 1305923138 /nfs/dbraw/zinc/92/31/38/1305923138.db2.gz ZDZGYJZDJRHESJ-JKSUJKDBSA-N 2 2 336.476 3.047 20 0 EGADLP Cc1cnc(=S)n(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000788382219 1305933515 /nfs/dbraw/zinc/93/35/15/1305933515.db2.gz KWIZACDBGOHHFI-UHFFFAOYSA-N 2 2 343.500 3.291 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612445 1305982312 /nfs/dbraw/zinc/98/23/12/1305982312.db2.gz MGIQRDFNXNFIKP-ZWKOTPCHSA-N 2 2 345.487 3.114 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612445 1305982319 /nfs/dbraw/zinc/98/23/19/1305982319.db2.gz MGIQRDFNXNFIKP-ZWKOTPCHSA-N 2 2 345.487 3.114 20 0 EGADLP CCOC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000788984329 1306056795 /nfs/dbraw/zinc/05/67/95/1306056795.db2.gz KRWFHONXOKMJDC-HXUWFJFHSA-N 2 2 333.520 3.372 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cc[nH]c(=O)c1 ZINC000791133628 1308926426 /nfs/dbraw/zinc/92/64/26/1308926426.db2.gz BYROGPFAWZDBJR-HNNXBMFYSA-N 2 2 335.517 3.190 20 0 EGADLP Cc1nnc([C@@H]2CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008540 1309155147 /nfs/dbraw/zinc/15/51/47/1309155147.db2.gz ZNMCOOLZGJDMOO-GOSISDBHSA-N 2 2 341.503 3.061 20 0 EGADLP Cc1nnc([C@@H]2CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008540 1309155151 /nfs/dbraw/zinc/15/51/51/1309155151.db2.gz ZNMCOOLZGJDMOO-GOSISDBHSA-N 2 2 341.503 3.061 20 0 EGADLP Cc1nnc([C@@H]2CC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008540 1309155155 /nfs/dbraw/zinc/15/51/55/1309155155.db2.gz ZNMCOOLZGJDMOO-GOSISDBHSA-N 2 2 341.503 3.061 20 0 EGADLP Cc1nnc([C@@H]2CC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008540 1309155160 /nfs/dbraw/zinc/15/51/60/1309155160.db2.gz ZNMCOOLZGJDMOO-GOSISDBHSA-N 2 2 341.503 3.061 20 0 EGADLP CC(C)([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000792880537 1309249769 /nfs/dbraw/zinc/24/97/69/1309249769.db2.gz GCDVSFYJYNQMHR-FQEVSTJZSA-N 2 2 346.515 3.072 20 0 EGADLP CC(C)([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000792880537 1309249778 /nfs/dbraw/zinc/24/97/78/1309249778.db2.gz GCDVSFYJYNQMHR-FQEVSTJZSA-N 2 2 346.515 3.072 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000793523852 1309394119 /nfs/dbraw/zinc/39/41/19/1309394119.db2.gz GLTUPVJYWBQXBZ-XKGZKEIXSA-N 2 2 332.488 3.379 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000793523852 1309394128 /nfs/dbraw/zinc/39/41/28/1309394128.db2.gz GLTUPVJYWBQXBZ-XKGZKEIXSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000793530648 1309396587 /nfs/dbraw/zinc/39/65/87/1309396587.db2.gz FERAPPVLNKJOPC-ZIFCJYIRSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000793530648 1309396593 /nfs/dbraw/zinc/39/65/93/1309396593.db2.gz FERAPPVLNKJOPC-ZIFCJYIRSA-N 2 2 326.488 3.432 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000795937712 1309865829 /nfs/dbraw/zinc/86/58/29/1309865829.db2.gz KBPGRSQKONVBBK-FQEVSTJZSA-N 2 2 344.499 3.174 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000795937712 1309865831 /nfs/dbraw/zinc/86/58/31/1309865831.db2.gz KBPGRSQKONVBBK-FQEVSTJZSA-N 2 2 344.499 3.174 20 0 EGADLP C[C@@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)C[NH+]1CCCC1 ZINC000796266177 1309948912 /nfs/dbraw/zinc/94/89/12/1309948912.db2.gz NTFKBULFXDZVBK-LBPRGKRZSA-N 2 2 341.286 3.463 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796276033 1309950032 /nfs/dbraw/zinc/95/00/32/1309950032.db2.gz RSFLRYAMEIPQAR-LBPRGKRZSA-N 2 2 341.286 3.463 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796276033 1309950037 /nfs/dbraw/zinc/95/00/37/1309950037.db2.gz RSFLRYAMEIPQAR-LBPRGKRZSA-N 2 2 341.286 3.463 20 0 EGADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC000898034442 1310558048 /nfs/dbraw/zinc/55/80/48/1310558048.db2.gz PGLOYWOSSNEXJO-UHFFFAOYSA-N 2 2 339.524 3.001 20 0 EGADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC000898034442 1310558056 /nfs/dbraw/zinc/55/80/56/1310558056.db2.gz PGLOYWOSSNEXJO-UHFFFAOYSA-N 2 2 339.524 3.001 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000800483760 1310767155 /nfs/dbraw/zinc/76/71/55/1310767155.db2.gz OQKKWICGRFIIBJ-PXNSSMCTSA-N 2 2 331.504 3.446 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000839181000 1320888100 /nfs/dbraw/zinc/88/81/00/1320888100.db2.gz FZQYFGZNBDVRAB-SFHVURJKSA-N 3 2 344.547 3.043 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000839181000 1320888105 /nfs/dbraw/zinc/88/81/05/1320888105.db2.gz FZQYFGZNBDVRAB-SFHVURJKSA-N 3 2 344.547 3.043 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]([NH+](C)C)CCc4ccccc43)ccn12 ZINC000857971706 1328644541 /nfs/dbraw/zinc/64/45/41/1328644541.db2.gz BUQXBMUOJHDWIU-SFHVURJKSA-N 2 2 348.450 3.166 20 0 EGADLP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000900000188 1317216639 /nfs/dbraw/zinc/21/66/39/1317216639.db2.gz CXYUEQOHSFYTSG-YOEHRIQHSA-N 2 2 344.459 3.005 20 0 EGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000902440227 1317579067 /nfs/dbraw/zinc/57/90/67/1317579067.db2.gz XATXCMFVOCHEQY-UYAOXDASSA-N 2 2 343.421 3.148 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)c[nH+]1 ZINC001020285948 1317627192 /nfs/dbraw/zinc/62/71/92/1317627192.db2.gz MGUZQJICAQXVCO-IYARVYRRSA-N 2 2 346.519 3.134 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001020296327 1317632838 /nfs/dbraw/zinc/63/28/38/1317632838.db2.gz MVPLVPLFAOFKRY-JQFCIGGWSA-N 2 2 334.423 3.175 20 0 EGADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000903380831 1317693804 /nfs/dbraw/zinc/69/38/04/1317693804.db2.gz YDCBLEPGEHPPJH-SCLBCKFNSA-N 2 2 348.441 3.108 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000904305608 1317827823 /nfs/dbraw/zinc/82/78/23/1317827823.db2.gz QMCXPJMKWTXSPX-HZPDHXFCSA-N 2 2 329.492 3.062 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000904305608 1317827829 /nfs/dbraw/zinc/82/78/29/1317827829.db2.gz QMCXPJMKWTXSPX-HZPDHXFCSA-N 2 2 329.492 3.062 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000904363561 1317836351 /nfs/dbraw/zinc/83/63/51/1317836351.db2.gz IUVQLTPQFUJCKC-GOSISDBHSA-N 2 2 331.504 3.052 20 0 EGADLP Cn1c(Cl)nc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904412663 1317844454 /nfs/dbraw/zinc/84/44/54/1317844454.db2.gz WBCWYYMQSWWHAI-GFCCVEGCSA-N 2 2 345.318 3.329 20 0 EGADLP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904558750 1317862052 /nfs/dbraw/zinc/86/20/52/1317862052.db2.gz VMSIEXHDUWBXRG-XJKSGUPXSA-N 2 2 325.416 3.417 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C4CCCCC4)CC3)CC2)CC1 ZINC000906467343 1318104596 /nfs/dbraw/zinc/10/45/96/1318104596.db2.gz YODGKNCJAAAGRQ-UHFFFAOYSA-N 2 2 347.547 3.022 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001021126687 1318108359 /nfs/dbraw/zinc/10/83/59/1318108359.db2.gz UVEQJZNCQABPNZ-ATZDWAIDSA-N 2 2 340.471 3.005 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC2CC2)c(C)[nH+]1 ZINC000960286588 1318445612 /nfs/dbraw/zinc/44/56/12/1318445612.db2.gz BSUAHFCSKYTRAP-TZIWHRDSSA-N 2 2 349.478 3.402 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000858490748 1328777533 /nfs/dbraw/zinc/77/75/33/1328777533.db2.gz NITZKRGUVJYOPM-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000858490748 1328777537 /nfs/dbraw/zinc/77/75/37/1328777537.db2.gz NITZKRGUVJYOPM-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc2c[nH+]ccc2[nH]1 ZINC000930085901 1328781365 /nfs/dbraw/zinc/78/13/65/1328781365.db2.gz JZCYSPMPDUZKIK-UHFFFAOYSA-N 2 2 334.423 3.089 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000911542911 1318747416 /nfs/dbraw/zinc/74/74/16/1318747416.db2.gz UVGXOESPHOWCKE-UHFFFAOYSA-N 2 2 344.484 3.169 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000960773693 1318875215 /nfs/dbraw/zinc/87/52/15/1318875215.db2.gz HOTZRTHHLCOKMK-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000960773693 1318875222 /nfs/dbraw/zinc/87/52/22/1318875222.db2.gz HOTZRTHHLCOKMK-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901045 1319041191 /nfs/dbraw/zinc/04/11/91/1319041191.db2.gz LZRYPLKFZNHZCD-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901045 1319041205 /nfs/dbraw/zinc/04/12/05/1319041205.db2.gz LZRYPLKFZNHZCD-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905029 1319046293 /nfs/dbraw/zinc/04/62/93/1319046293.db2.gz UUJNNUMVEAMIHE-SJLPKXTDSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905029 1319046300 /nfs/dbraw/zinc/04/63/00/1319046300.db2.gz UUJNNUMVEAMIHE-SJLPKXTDSA-N 2 2 346.519 3.193 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960985549 1319117463 /nfs/dbraw/zinc/11/74/63/1319117463.db2.gz YHSLQIFKWXZVHI-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960985549 1319117469 /nfs/dbraw/zinc/11/74/69/1319117469.db2.gz YHSLQIFKWXZVHI-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC001023163143 1319301130 /nfs/dbraw/zinc/30/11/30/1319301130.db2.gz UYMFBAGWIXNXJX-NXHRZFHOSA-N 2 2 348.450 3.034 20 0 EGADLP CC[NH+]1CCN(c2ccc(NCc3c[nH+]cn3C(C)C)cc2)CC1 ZINC000818180843 1319511273 /nfs/dbraw/zinc/51/12/73/1319511273.db2.gz MLWMYZSHLCQKQV-UHFFFAOYSA-N 2 2 327.476 3.218 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000818184916 1319513003 /nfs/dbraw/zinc/51/30/03/1319513003.db2.gz ZPUIKBJPIGWYSD-UHFFFAOYSA-N 2 2 336.451 3.224 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819077603 1319628416 /nfs/dbraw/zinc/62/84/16/1319628416.db2.gz BLGUPRJJLCDDCR-BBRMVZONSA-N 2 2 331.287 3.491 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819078245 1319629347 /nfs/dbraw/zinc/62/93/47/1319629347.db2.gz HFQKMAZVRXAKAP-GDBMZVCRSA-N 2 2 346.393 3.083 20 0 EGADLP Cc1ccccc1C[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000961989699 1319795004 /nfs/dbraw/zinc/79/50/04/1319795004.db2.gz WTEOLOGZIGCWLQ-UHFFFAOYSA-N 2 2 348.450 3.170 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820558930 1319910197 /nfs/dbraw/zinc/91/01/97/1319910197.db2.gz SWQAHDGXQDHODE-QGZVFWFLSA-N 2 2 346.862 3.015 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820558930 1319910209 /nfs/dbraw/zinc/91/02/09/1319910209.db2.gz SWQAHDGXQDHODE-QGZVFWFLSA-N 2 2 346.862 3.015 20 0 EGADLP c1cn(Cc2cccc(-c3noc([C@@H]4C[C@H]4C4CC[NH2+]CC4)n3)c2)c[nH+]1 ZINC000822728190 1320118337 /nfs/dbraw/zinc/11/83/37/1320118337.db2.gz JFOOVNIOAUDWKO-ZWKOTPCHSA-N 2 2 349.438 3.085 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823579123 1320188290 /nfs/dbraw/zinc/18/82/90/1320188290.db2.gz MRBRCJJSRUCRBB-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823579123 1320188293 /nfs/dbraw/zinc/18/82/93/1320188293.db2.gz MRBRCJJSRUCRBB-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP CCCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCC[C@H](C)C1 ZINC000840089796 1321026290 /nfs/dbraw/zinc/02/62/90/1321026290.db2.gz BJJMZYRKUGMKCG-KSZLIROESA-N 2 2 346.519 3.374 20 0 EGADLP CCCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCC[C@H](C)C1 ZINC000840089796 1321026292 /nfs/dbraw/zinc/02/62/92/1321026292.db2.gz BJJMZYRKUGMKCG-KSZLIROESA-N 2 2 346.519 3.374 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876097 1321167393 /nfs/dbraw/zinc/16/73/93/1321167393.db2.gz KIVZCSKCRQWURU-QWHCGFSZSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876097 1321167394 /nfs/dbraw/zinc/16/73/94/1321167394.db2.gz KIVZCSKCRQWURU-QWHCGFSZSA-N 2 2 342.270 3.148 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841101346 1321218319 /nfs/dbraw/zinc/21/83/19/1321218319.db2.gz ULZCKKRGURQRQH-DZGCQCFKSA-N 2 2 332.879 3.251 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841101346 1321218323 /nfs/dbraw/zinc/21/83/23/1321218323.db2.gz ULZCKKRGURQRQH-DZGCQCFKSA-N 2 2 332.879 3.251 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354244 1321505565 /nfs/dbraw/zinc/50/55/65/1321505565.db2.gz WNOLNOZQLDBGQE-VQIMIIECSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354244 1321505571 /nfs/dbraw/zinc/50/55/71/1321505571.db2.gz WNOLNOZQLDBGQE-VQIMIIECSA-N 2 2 337.467 3.351 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000843378068 1321508343 /nfs/dbraw/zinc/50/83/43/1321508343.db2.gz YVHPDHGFKWTACF-HDMKZQKVSA-N 2 2 331.504 3.370 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000843378068 1321508347 /nfs/dbraw/zinc/50/83/47/1321508347.db2.gz YVHPDHGFKWTACF-HDMKZQKVSA-N 2 2 331.504 3.370 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000843384908 1321509877 /nfs/dbraw/zinc/50/98/77/1321509877.db2.gz HNBWSZVGENSLPW-ZDUSSCGKSA-N 2 2 343.443 3.143 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000843384908 1321509881 /nfs/dbraw/zinc/50/98/81/1321509881.db2.gz HNBWSZVGENSLPW-ZDUSSCGKSA-N 2 2 343.443 3.143 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568984 1321977624 /nfs/dbraw/zinc/97/76/24/1321977624.db2.gz ULPLKXROHKWPJM-KFKAGJAMSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568984 1321977630 /nfs/dbraw/zinc/97/76/30/1321977630.db2.gz ULPLKXROHKWPJM-KFKAGJAMSA-N 2 2 343.471 3.311 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000859479313 1328997533 /nfs/dbraw/zinc/99/75/33/1328997533.db2.gz FJHOIQWEJQPFMK-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000859479313 1328997540 /nfs/dbraw/zinc/99/75/40/1328997540.db2.gz FJHOIQWEJQPFMK-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000859479313 1328997545 /nfs/dbraw/zinc/99/75/45/1328997545.db2.gz FJHOIQWEJQPFMK-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000859479313 1328997549 /nfs/dbraw/zinc/99/75/49/1328997549.db2.gz FJHOIQWEJQPFMK-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])NCc1ccc(C)cc1)c1ccco1 ZINC000849050787 1322058584 /nfs/dbraw/zinc/05/85/84/1322058584.db2.gz IGYLKIRJVYZLRP-WBVHZDCISA-N 2 2 328.460 3.331 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000849067023 1322065289 /nfs/dbraw/zinc/06/52/89/1322065289.db2.gz UUXOYXYPUTUPCC-HNNXBMFYSA-N 2 2 342.491 3.404 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cccc1F ZINC000920425955 1322176038 /nfs/dbraw/zinc/17/60/38/1322176038.db2.gz VLLXMDKZAPUQAT-KRWDZBQOSA-N 2 2 347.340 3.113 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850159127 1322201015 /nfs/dbraw/zinc/20/10/15/1322201015.db2.gz BGTCMVPGFJHRGI-UHFFFAOYSA-N 2 2 341.503 3.289 20 0 EGADLP COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000921916791 1322422443 /nfs/dbraw/zinc/42/24/43/1322422443.db2.gz HGQFTKFYSVZOEH-GOSISDBHSA-N 2 2 340.471 3.151 20 0 EGADLP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]CCCn3cc[nH+]c3)C2)CC1 ZINC000924534274 1323045696 /nfs/dbraw/zinc/04/56/96/1323045696.db2.gz PYDUJMORNGWMNE-UHFFFAOYSA-N 2 2 348.491 3.043 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Br)n1 ZINC000924645723 1323090087 /nfs/dbraw/zinc/09/00/87/1323090087.db2.gz MHZVUPSDOTUCOX-LBPRGKRZSA-N 2 2 349.276 3.270 20 0 EGADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(N2CCCCC2)n1 ZINC000924698765 1323119055 /nfs/dbraw/zinc/11/90/55/1323119055.db2.gz AFWXSTPMDUUBIQ-RTBURBONSA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(N2CCCCC2)n1 ZINC000924698765 1323119060 /nfs/dbraw/zinc/11/90/60/1323119060.db2.gz AFWXSTPMDUUBIQ-RTBURBONSA-N 2 2 328.504 3.178 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000924715508 1323129425 /nfs/dbraw/zinc/12/94/25/1323129425.db2.gz VNMKVPYPGHZKRS-RBUKOAKNSA-N 2 2 335.536 3.020 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000924715508 1323129428 /nfs/dbraw/zinc/12/94/28/1323129428.db2.gz VNMKVPYPGHZKRS-RBUKOAKNSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903868 1323206711 /nfs/dbraw/zinc/20/67/11/1323206711.db2.gz XFAUXVWEUMVXIO-MAUKXSAKSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903868 1323206714 /nfs/dbraw/zinc/20/67/14/1323206714.db2.gz XFAUXVWEUMVXIO-MAUKXSAKSA-N 2 2 343.471 3.026 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931389218 1329110004 /nfs/dbraw/zinc/11/00/04/1329110004.db2.gz HYYLSICVHMHBKT-LJQANCHMSA-N 2 2 339.418 3.092 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931389218 1329110006 /nfs/dbraw/zinc/11/00/06/1329110006.db2.gz HYYLSICVHMHBKT-LJQANCHMSA-N 2 2 339.418 3.092 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)c[nH+]1 ZINC001024999598 1323819529 /nfs/dbraw/zinc/81/95/29/1323819529.db2.gz YEUOKOJUDXUSJE-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293867 1324121343 /nfs/dbraw/zinc/12/13/43/1324121343.db2.gz VMMXCUZBSKBKEM-OALUTQOASA-N 2 2 344.503 3.072 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293867 1324121348 /nfs/dbraw/zinc/12/13/48/1324121348.db2.gz VMMXCUZBSKBKEM-OALUTQOASA-N 2 2 344.503 3.072 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCC(C)C ZINC001025296547 1324127523 /nfs/dbraw/zinc/12/75/23/1324127523.db2.gz KELOALZBYVHBMJ-OALUTQOASA-N 2 2 346.519 3.152 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001025296547 1324127526 /nfs/dbraw/zinc/12/75/26/1324127526.db2.gz KELOALZBYVHBMJ-OALUTQOASA-N 2 2 346.519 3.152 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459729 1324304648 /nfs/dbraw/zinc/30/46/48/1324304648.db2.gz RTXZCSFQNSIRGO-HUUCEWRRSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459729 1324304653 /nfs/dbraw/zinc/30/46/53/1324304653.db2.gz RTXZCSFQNSIRGO-HUUCEWRRSA-N 2 2 328.460 3.049 20 0 EGADLP CCc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000931747501 1329176478 /nfs/dbraw/zinc/17/64/78/1329176478.db2.gz RKCUXWMEFROOSF-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000931747501 1329176480 /nfs/dbraw/zinc/17/64/80/1329176480.db2.gz RKCUXWMEFROOSF-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000931747501 1329176484 /nfs/dbraw/zinc/17/64/84/1329176484.db2.gz RKCUXWMEFROOSF-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000931747501 1329176486 /nfs/dbraw/zinc/17/64/86/1329176486.db2.gz RKCUXWMEFROOSF-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CCC([NH2+]CCC4CC4)CC3)ccn12 ZINC001026494563 1324847755 /nfs/dbraw/zinc/84/77/55/1324847755.db2.gz VDAYGQQDTWUNQE-UHFFFAOYSA-N 2 2 340.471 3.073 20 0 EGADLP O=C(NC1CCC([NH2+]CC2CCCC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001026558997 1324895609 /nfs/dbraw/zinc/89/56/09/1324895609.db2.gz VEHFQAPCBNOXCI-OFLPRAFFSA-N 2 2 344.503 3.037 20 0 EGADLP Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001026920367 1325083672 /nfs/dbraw/zinc/08/36/72/1325083672.db2.gz ZXDBHTJDULRBKH-MRXNPFEDSA-N 2 2 348.450 3.123 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315829 1325100186 /nfs/dbraw/zinc/10/01/86/1325100186.db2.gz ZPSFHHJUCQDVOP-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315829 1325100189 /nfs/dbraw/zinc/10/01/89/1325100189.db2.gz ZPSFHHJUCQDVOP-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315829 1325100196 /nfs/dbraw/zinc/10/01/96/1325100196.db2.gz ZPSFHHJUCQDVOP-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315829 1325100212 /nfs/dbraw/zinc/10/02/12/1325100212.db2.gz ZPSFHHJUCQDVOP-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001026963833 1325110082 /nfs/dbraw/zinc/11/00/82/1325110082.db2.gz WNYQKWCBCWDUFM-GOSISDBHSA-N 2 2 329.488 3.249 20 0 EGADLP c1ccc(COCc2ccccc2C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925546525 1325201199 /nfs/dbraw/zinc/20/11/99/1325201199.db2.gz OFJKCDCSZKOPIF-IACLWVNRSA-N 2 2 348.490 3.489 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556076 1325207447 /nfs/dbraw/zinc/20/74/47/1325207447.db2.gz JTLXPDMOSMBOPR-LHDHZVESSA-N 3 2 327.516 3.003 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556076 1325207456 /nfs/dbraw/zinc/20/74/56/1325207456.db2.gz JTLXPDMOSMBOPR-LHDHZVESSA-N 3 2 327.516 3.003 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H](O)c1c(Cl)cccc1Cl ZINC000925619619 1325233043 /nfs/dbraw/zinc/23/30/43/1325233043.db2.gz PRLNUAFCTQHDBC-QUMSHNSSSA-N 2 2 341.282 3.001 20 0 EGADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925665252 1325255272 /nfs/dbraw/zinc/25/52/72/1325255272.db2.gz KNYREKSOCDJXMN-NHCUHLMSSA-N 2 2 338.499 3.189 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792782 1325302352 /nfs/dbraw/zinc/30/23/52/1325302352.db2.gz PYZOYZKZKOMLAR-SJORKVTESA-N 2 2 332.488 3.121 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCCC2 ZINC000925795833 1325306461 /nfs/dbraw/zinc/30/64/61/1325306461.db2.gz KSFZMZNXXDIIPR-ZBFHGGJFSA-N 2 2 334.529 3.436 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435647 1327673055 /nfs/dbraw/zinc/67/30/55/1327673055.db2.gz HVTOBTPDQQRTCW-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435647 1327673064 /nfs/dbraw/zinc/67/30/64/1327673064.db2.gz HVTOBTPDQQRTCW-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435647 1327673069 /nfs/dbraw/zinc/67/30/69/1327673069.db2.gz HVTOBTPDQQRTCW-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435647 1327673077 /nfs/dbraw/zinc/67/30/77/1327673077.db2.gz HVTOBTPDQQRTCW-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597059 1327947448 /nfs/dbraw/zinc/94/74/48/1327947448.db2.gz DLBUNBZDBWOPQA-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597059 1327947453 /nfs/dbraw/zinc/94/74/53/1327947453.db2.gz DLBUNBZDBWOPQA-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609232 1327970072 /nfs/dbraw/zinc/97/00/72/1327970072.db2.gz BKTRCKHSYWEZAE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609232 1327970080 /nfs/dbraw/zinc/97/00/80/1327970080.db2.gz BKTRCKHSYWEZAE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609232 1327970087 /nfs/dbraw/zinc/97/00/87/1327970087.db2.gz BKTRCKHSYWEZAE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609232 1327970099 /nfs/dbraw/zinc/97/00/99/1327970099.db2.gz BKTRCKHSYWEZAE-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609269 1327970795 /nfs/dbraw/zinc/97/07/95/1327970795.db2.gz CLTNGZRQJGEYQB-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609269 1327970799 /nfs/dbraw/zinc/97/07/99/1327970799.db2.gz CLTNGZRQJGEYQB-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027609269 1327970804 /nfs/dbraw/zinc/97/08/04/1327970804.db2.gz CLTNGZRQJGEYQB-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027609269 1327970809 /nfs/dbraw/zinc/97/08/09/1327970809.db2.gz CLTNGZRQJGEYQB-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883090 1328349027 /nfs/dbraw/zinc/34/90/27/1328349027.db2.gz FBZRCSWKLJWVSG-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883090 1328349031 /nfs/dbraw/zinc/34/90/31/1328349031.db2.gz FBZRCSWKLJWVSG-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001050152508 1348198004 /nfs/dbraw/zinc/19/80/04/1348198004.db2.gz RQHCIZREMJHGIM-FGTMMUONSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001050152508 1348198006 /nfs/dbraw/zinc/19/80/06/1348198006.db2.gz RQHCIZREMJHGIM-FGTMMUONSA-N 2 2 346.519 3.193 20 0 EGADLP CCC[N@H+](Cc1ccnn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185957 1329953527 /nfs/dbraw/zinc/95/35/27/1329953527.db2.gz QGYJLJGXZVAYLB-UHFFFAOYSA-N 2 2 326.488 3.297 20 0 EGADLP CCC[N@@H+](Cc1ccnn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934185957 1329953528 /nfs/dbraw/zinc/95/35/28/1329953528.db2.gz QGYJLJGXZVAYLB-UHFFFAOYSA-N 2 2 326.488 3.297 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288011 1330041726 /nfs/dbraw/zinc/04/17/26/1330041726.db2.gz SEXUTHUOLCDYPA-DOTOQJQBSA-N 2 2 348.450 3.203 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935288011 1330041727 /nfs/dbraw/zinc/04/17/27/1330041727.db2.gz SEXUTHUOLCDYPA-DOTOQJQBSA-N 2 2 348.450 3.203 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000866660977 1330138862 /nfs/dbraw/zinc/13/88/62/1330138862.db2.gz JZLWNUHJPGTKCP-UKRRQHHQSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000866660977 1330138863 /nfs/dbraw/zinc/13/88/63/1330138863.db2.gz JZLWNUHJPGTKCP-UKRRQHHQSA-N 2 2 325.884 3.281 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940922794 1331255848 /nfs/dbraw/zinc/25/58/48/1331255848.db2.gz WLXYCSGHLCCTKA-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940922794 1331255849 /nfs/dbraw/zinc/25/58/49/1331255849.db2.gz WLXYCSGHLCCTKA-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642914 1332869259 /nfs/dbraw/zinc/86/92/59/1332869259.db2.gz VEQGQXMLLGTZAB-IYBDPMFKSA-N 2 2 340.471 3.003 20 0 EGADLP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642914 1332869262 /nfs/dbraw/zinc/86/92/62/1332869262.db2.gz VEQGQXMLLGTZAB-IYBDPMFKSA-N 2 2 340.471 3.003 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947437516 1333126899 /nfs/dbraw/zinc/12/68/99/1333126899.db2.gz RSFOKVMMOXJWDX-FUHWJXTLSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947437516 1333126900 /nfs/dbraw/zinc/12/69/00/1333126900.db2.gz RSFOKVMMOXJWDX-FUHWJXTLSA-N 2 2 348.535 3.332 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CCCC1 ZINC000947450013 1333132606 /nfs/dbraw/zinc/13/26/06/1333132606.db2.gz MOMFGPRTNWWDNJ-WMLDXEAASA-N 2 2 340.471 3.336 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CCCC1 ZINC000947450013 1333132608 /nfs/dbraw/zinc/13/26/08/1333132608.db2.gz MOMFGPRTNWWDNJ-WMLDXEAASA-N 2 2 340.471 3.336 20 0 EGADLP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614889 1334097551 /nfs/dbraw/zinc/09/75/51/1334097551.db2.gz KZMGHBDWYMLPBM-AZUAARDMSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614889 1334097554 /nfs/dbraw/zinc/09/75/54/1334097554.db2.gz KZMGHBDWYMLPBM-AZUAARDMSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)c1occc1C[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC000951552161 1334264674 /nfs/dbraw/zinc/26/46/74/1334264674.db2.gz NIARXMODFMLCJT-UHFFFAOYSA-N 2 2 347.503 3.068 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902246 1336085021 /nfs/dbraw/zinc/08/50/21/1336085021.db2.gz VTYUHPXOTXQUGE-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902246 1336085023 /nfs/dbraw/zinc/08/50/23/1336085023.db2.gz VTYUHPXOTXQUGE-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902246 1336085024 /nfs/dbraw/zinc/08/50/24/1336085024.db2.gz VTYUHPXOTXQUGE-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902246 1336085025 /nfs/dbraw/zinc/08/50/25/1336085025.db2.gz VTYUHPXOTXQUGE-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205314930 1370718945 /nfs/dbraw/zinc/71/89/45/1370718945.db2.gz DQFKRBKVFMPVQE-SMDDNHRTSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205314930 1370718946 /nfs/dbraw/zinc/71/89/46/1370718946.db2.gz DQFKRBKVFMPVQE-SMDDNHRTSA-N 2 2 341.293 3.183 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001009345193 1337009672 /nfs/dbraw/zinc/00/96/72/1337009672.db2.gz GHYQJYVJLALDQN-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001009345193 1337009675 /nfs/dbraw/zinc/00/96/75/1337009675.db2.gz GHYQJYVJLALDQN-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206174093 1370980237 /nfs/dbraw/zinc/98/02/37/1370980237.db2.gz LXTQWVJQRDEDCE-NEPJUHHUSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206174093 1370980241 /nfs/dbraw/zinc/98/02/41/1370980241.db2.gz LXTQWVJQRDEDCE-NEPJUHHUSA-N 2 2 340.748 3.500 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC23CC[NH+](CC2CC2)CC3)c(C)[nH+]1 ZINC001016741957 1338708702 /nfs/dbraw/zinc/70/87/02/1338708702.db2.gz GHKIKZRFDVGLFV-KRWDZBQOSA-N 2 2 327.472 3.001 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016743842 1338709402 /nfs/dbraw/zinc/70/94/02/1338709402.db2.gz SFCHLRQFEUPZOD-KRWDZBQOSA-N 2 2 329.488 3.391 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017142649 1338894697 /nfs/dbraw/zinc/89/46/97/1338894697.db2.gz QFPIMJNSKWHMEI-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017142649 1338894698 /nfs/dbraw/zinc/89/46/98/1338894698.db2.gz QFPIMJNSKWHMEI-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017142649 1338894699 /nfs/dbraw/zinc/89/46/99/1338894699.db2.gz QFPIMJNSKWHMEI-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017142649 1338894700 /nfs/dbraw/zinc/89/47/00/1338894700.db2.gz QFPIMJNSKWHMEI-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017663622 1339386560 /nfs/dbraw/zinc/38/65/60/1339386560.db2.gz VGKPAIWOSWWOOA-IYBDPMFKSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017663622 1339386562 /nfs/dbraw/zinc/38/65/62/1339386562.db2.gz VGKPAIWOSWWOOA-IYBDPMFKSA-N 2 2 340.471 3.288 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001029161597 1340945536 /nfs/dbraw/zinc/94/55/36/1340945536.db2.gz QMQGAKFNUMJUOH-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857198 1341097309 /nfs/dbraw/zinc/09/73/09/1341097309.db2.gz WHWYKBYSVWPCBM-IRXDYDNUSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857198 1341097311 /nfs/dbraw/zinc/09/73/11/1341097311.db2.gz WHWYKBYSVWPCBM-IRXDYDNUSA-N 2 2 346.519 3.051 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001030400739 1341184643 /nfs/dbraw/zinc/18/46/43/1341184643.db2.gz DNUKTEPHMBBSGC-FXAWDEMLSA-N 2 2 343.515 3.039 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001030400739 1341184644 /nfs/dbraw/zinc/18/46/44/1341184644.db2.gz DNUKTEPHMBBSGC-FXAWDEMLSA-N 2 2 343.515 3.039 20 0 EGADLP 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Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033616309 1341904157 /nfs/dbraw/zinc/90/41/57/1341904157.db2.gz GKMXNYJOFBDCTO-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036544269 1343546758 /nfs/dbraw/zinc/54/67/58/1343546758.db2.gz DAMRVZWOPUJGCX-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036555162 1343551770 /nfs/dbraw/zinc/55/17/70/1343551770.db2.gz RBUIJWXVSJPGNT-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036555162 1343551771 /nfs/dbraw/zinc/55/17/71/1343551771.db2.gz RBUIJWXVSJPGNT-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036567330 1343557611 /nfs/dbraw/zinc/55/76/11/1343557611.db2.gz FQSBYSDCMWORIC-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001037043542 1343945689 /nfs/dbraw/zinc/94/56/89/1343945689.db2.gz QFESPCFGJCNIJM-ZWKOTPCHSA-N 2 2 348.450 3.023 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037847539 1344135157 /nfs/dbraw/zinc/13/51/57/1344135157.db2.gz ADMSUAFNDXGDQK-IEBWSBKVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037847539 1344135161 /nfs/dbraw/zinc/13/51/61/1344135161.db2.gz ADMSUAFNDXGDQK-IEBWSBKVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037944697 1344194866 /nfs/dbraw/zinc/19/48/66/1344194866.db2.gz WNBFMRJHHIQMDT-ZWKOTPCHSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037965371 1344208586 /nfs/dbraw/zinc/20/85/86/1344208586.db2.gz CZXZXMYBVDQUGJ-ZWKOTPCHSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1CC1CCCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038418712 1344420280 /nfs/dbraw/zinc/42/02/80/1344420280.db2.gz ZKBYHYSIKBMFRU-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1CC1CCCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038418712 1344420281 /nfs/dbraw/zinc/42/02/81/1344420281.db2.gz ZKBYHYSIKBMFRU-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040181275 1345367213 /nfs/dbraw/zinc/36/72/13/1345367213.db2.gz NWYZKEPZDDQLOO-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040181275 1345367216 /nfs/dbraw/zinc/36/72/16/1345367216.db2.gz NWYZKEPZDDQLOO-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717142 1345829858 /nfs/dbraw/zinc/82/98/58/1345829858.db2.gz KZJAQUMGNQIRTA-PXNSSMCTSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717142 1345829859 /nfs/dbraw/zinc/82/98/59/1345829859.db2.gz KZJAQUMGNQIRTA-PXNSSMCTSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001042710659 1346108602 /nfs/dbraw/zinc/10/86/02/1346108602.db2.gz IEUFSUKDBKCZEH-PXNSSMCTSA-N 2 2 343.515 3.071 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001042710659 1346108604 /nfs/dbraw/zinc/10/86/04/1346108604.db2.gz IEUFSUKDBKCZEH-PXNSSMCTSA-N 2 2 343.515 3.071 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001042710658 1346108644 /nfs/dbraw/zinc/10/86/44/1346108644.db2.gz IEUFSUKDBKCZEH-FXAWDEMLSA-N 2 2 343.515 3.071 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001042710658 1346108646 /nfs/dbraw/zinc/10/86/46/1346108646.db2.gz IEUFSUKDBKCZEH-FXAWDEMLSA-N 2 2 343.515 3.071 20 0 EGADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001044694470 1346405196 /nfs/dbraw/zinc/40/51/96/1346405196.db2.gz SDEBYRBVOBGUKM-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044809871 1346432550 /nfs/dbraw/zinc/43/25/50/1346432550.db2.gz RWMLMXLKOHNDGY-DOTOQJQBSA-N 2 2 346.519 3.138 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001044842799 1346442713 /nfs/dbraw/zinc/44/27/13/1346442713.db2.gz SCXFHLJAYXKIJP-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947617 1346783279 /nfs/dbraw/zinc/78/32/79/1346783279.db2.gz NYCHAVKFTLKKTL-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947617 1346783281 /nfs/dbraw/zinc/78/32/81/1346783281.db2.gz NYCHAVKFTLKKTL-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258374 1347281158 /nfs/dbraw/zinc/28/11/58/1347281158.db2.gz YNJGYJJAGPUPHS-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001048319751 1347517580 /nfs/dbraw/zinc/51/75/80/1347517580.db2.gz BCQHCLRBYZHVTL-KBXCAEBGSA-N 2 2 329.488 3.105 20 0 EGADLP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001048525943 1347577849 /nfs/dbraw/zinc/57/78/49/1347577849.db2.gz LPJOIOFYLREEMQ-VBUUOAMHSA-N 2 2 340.471 3.026 20 0 EGADLP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001048525943 1347577850 /nfs/dbraw/zinc/57/78/50/1347577850.db2.gz LPJOIOFYLREEMQ-VBUUOAMHSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552053 1347905313 /nfs/dbraw/zinc/90/53/13/1347905313.db2.gz KSXPIIHXHYWFHH-OALUTQOASA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552053 1347905315 /nfs/dbraw/zinc/90/53/15/1347905315.db2.gz KSXPIIHXHYWFHH-OALUTQOASA-N 2 2 340.471 3.288 20 0 EGADLP CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032016 1348832515 /nfs/dbraw/zinc/83/25/15/1348832515.db2.gz MSVJWBXLBXBHCI-HOTGVXAUSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032016 1348832519 /nfs/dbraw/zinc/83/25/19/1348832519.db2.gz MSVJWBXLBXBHCI-HOTGVXAUSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087596 1348912067 /nfs/dbraw/zinc/91/20/67/1348912067.db2.gz MMQGMARWKIVOPK-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087596 1348912074 /nfs/dbraw/zinc/91/20/74/1348912074.db2.gz MMQGMARWKIVOPK-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087596 1348912078 /nfs/dbraw/zinc/91/20/78/1348912078.db2.gz MMQGMARWKIVOPK-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087596 1348912085 /nfs/dbraw/zinc/91/20/85/1348912085.db2.gz MMQGMARWKIVOPK-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112212 1348948856 /nfs/dbraw/zinc/94/88/56/1348948856.db2.gz AXYVRCBIAPDKGG-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112212 1348948859 /nfs/dbraw/zinc/94/88/59/1348948859.db2.gz AXYVRCBIAPDKGG-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962614 1357440397 /nfs/dbraw/zinc/44/03/97/1357440397.db2.gz TZGQVLPMLIDQNK-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962614 1357440399 /nfs/dbraw/zinc/44/03/99/1357440399.db2.gz TZGQVLPMLIDQNK-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154396 1349157808 /nfs/dbraw/zinc/15/78/08/1349157808.db2.gz UHQXQZMDZVNCKF-FQEVSTJZSA-N 2 2 340.471 3.291 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154396 1349157813 /nfs/dbraw/zinc/15/78/13/1349157813.db2.gz UHQXQZMDZVNCKF-FQEVSTJZSA-N 2 2 340.471 3.291 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164845 1349167053 /nfs/dbraw/zinc/16/70/53/1349167053.db2.gz VKZCPFDKFUUUGF-FQEVSTJZSA-N 2 2 340.471 3.063 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001054164845 1349167054 /nfs/dbraw/zinc/16/70/54/1349167054.db2.gz VKZCPFDKFUUUGF-FQEVSTJZSA-N 2 2 340.471 3.063 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2C1 ZINC001054274233 1349275239 /nfs/dbraw/zinc/27/52/39/1349275239.db2.gz YPYRWGDXGHOFML-UHFFFAOYSA-N 2 2 348.450 3.380 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2C1 ZINC001054274233 1349275243 /nfs/dbraw/zinc/27/52/43/1349275243.db2.gz YPYRWGDXGHOFML-UHFFFAOYSA-N 2 2 348.450 3.380 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001085279892 1358450624 /nfs/dbraw/zinc/45/06/24/1358450624.db2.gz JVKGNHHGPNVWMX-QZTJIDSGSA-N 2 2 329.488 3.438 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001085672853 1358677420 /nfs/dbraw/zinc/67/74/20/1358677420.db2.gz JFSGBBBFESBRTQ-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001085672853 1358677424 /nfs/dbraw/zinc/67/74/24/1358677424.db2.gz JFSGBBBFESBRTQ-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086925966 1359251386 /nfs/dbraw/zinc/25/13/86/1359251386.db2.gz MBUMPFCTIKJDJL-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086925966 1359251387 /nfs/dbraw/zinc/25/13/87/1359251387.db2.gz MBUMPFCTIKJDJL-KRWDZBQOSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001086929571 1359254328 /nfs/dbraw/zinc/25/43/28/1359254328.db2.gz LKAZFAAYIIOFSO-OAHLLOKOSA-N 2 2 340.471 3.288 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088419828 1359889572 /nfs/dbraw/zinc/88/95/72/1359889572.db2.gz ZTQFQAONAUKJDZ-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384427 1360385898 /nfs/dbraw/zinc/38/58/98/1360385898.db2.gz CMSXPMMLFCPLKF-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384427 1360385899 /nfs/dbraw/zinc/38/58/99/1360385899.db2.gz CMSXPMMLFCPLKF-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089420446 1360414667 /nfs/dbraw/zinc/41/46/67/1360414667.db2.gz MBMZRMNRGKMZMA-MRXNPFEDSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089420446 1360414669 /nfs/dbraw/zinc/41/46/69/1360414669.db2.gz MBMZRMNRGKMZMA-MRXNPFEDSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658972 1360570793 /nfs/dbraw/zinc/57/07/93/1360570793.db2.gz QBUMOZLFDVEDRE-INIZCTEOSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658972 1360570795 /nfs/dbraw/zinc/57/07/95/1360570795.db2.gz QBUMOZLFDVEDRE-INIZCTEOSA-N 2 2 342.487 3.439 20 0 EGADLP CCCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184653961 1387504268 /nfs/dbraw/zinc/50/42/68/1387504268.db2.gz USSXMWOBRHBWQW-LSDHHAIUSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184800550 1387542934 /nfs/dbraw/zinc/54/29/34/1387542934.db2.gz XBZGTBGBHSBKRR-DLBZAZTESA-N 2 2 342.487 3.068 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184905073 1387560133 /nfs/dbraw/zinc/56/01/33/1387560133.db2.gz SVBFTDSSKDSCAZ-DSQZMVHQSA-N 2 2 346.519 3.094 20 0 EGADLP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001098814209 1363479211 /nfs/dbraw/zinc/47/92/11/1363479211.db2.gz OIZGXYBNYXDKPO-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098814209 1363479216 /nfs/dbraw/zinc/47/92/16/1363479216.db2.gz OIZGXYBNYXDKPO-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098822276 1363482816 /nfs/dbraw/zinc/48/28/16/1363482816.db2.gz YFOHHGGEAFNLIO-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098832541 1363486221 /nfs/dbraw/zinc/48/62/21/1363486221.db2.gz HPEUXFLYXKIWSI-PKOBYXMFSA-N 2 2 346.519 3.069 20 0 EGADLP CCC[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098833699 1363486742 /nfs/dbraw/zinc/48/67/42/1363486742.db2.gz SPXRNPXFLHSHHQ-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[N@H+](CC2CCCC2)C1 ZINC001099048328 1363593858 /nfs/dbraw/zinc/59/38/58/1363593858.db2.gz FIZOWCJAZOMHGY-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[N@@H+](CC2CCCC2)C1 ZINC001099048328 1363593861 /nfs/dbraw/zinc/59/38/61/1363593861.db2.gz FIZOWCJAZOMHGY-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049305 1363594677 /nfs/dbraw/zinc/59/46/77/1363594677.db2.gz REYJLXOICXMJDY-FUTAKVPZSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049305 1363594680 /nfs/dbraw/zinc/59/46/80/1363594680.db2.gz REYJLXOICXMJDY-FUTAKVPZSA-N 2 2 346.519 3.305 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099110817 1363628786 /nfs/dbraw/zinc/62/87/86/1363628786.db2.gz JLMZFTPDPJSJCZ-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099110817 1363628790 /nfs/dbraw/zinc/62/87/90/1363628790.db2.gz JLMZFTPDPJSJCZ-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099110817 1363628793 /nfs/dbraw/zinc/62/87/93/1363628793.db2.gz JLMZFTPDPJSJCZ-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099110817 1363628795 /nfs/dbraw/zinc/62/87/95/1363628795.db2.gz JLMZFTPDPJSJCZ-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099115570 1363632555 /nfs/dbraw/zinc/63/25/55/1363632555.db2.gz HMCONYGHNPEUOH-DLBZAZTESA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099115570 1363632558 /nfs/dbraw/zinc/63/25/58/1363632558.db2.gz HMCONYGHNPEUOH-DLBZAZTESA-N 2 2 334.508 3.097 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCn2cc[nH+]c2)[N@H+](CC2CCCC2)C1 ZINC001099159281 1363662678 /nfs/dbraw/zinc/66/26/78/1363662678.db2.gz PQTXAKDDQLPRAX-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCn2cc[nH+]c2)[N@@H+](CC2CCCC2)C1 ZINC001099159281 1363662679 /nfs/dbraw/zinc/66/26/79/1363662679.db2.gz PQTXAKDDQLPRAX-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357943 1363771170 /nfs/dbraw/zinc/77/11/70/1363771170.db2.gz CNHKJOBVTPQMLD-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357943 1363771174 /nfs/dbraw/zinc/77/11/74/1363771174.db2.gz CNHKJOBVTPQMLD-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099360532 1363773439 /nfs/dbraw/zinc/77/34/39/1363773439.db2.gz YDBZUPMONJKMKR-GOSISDBHSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099360532 1363773442 /nfs/dbraw/zinc/77/34/42/1363773442.db2.gz YDBZUPMONJKMKR-GOSISDBHSA-N 2 2 348.535 3.316 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001324516424 1387657962 /nfs/dbraw/zinc/65/79/62/1387657962.db2.gz NNECUGQEEXGRSD-ZDUSSCGKSA-N 2 2 347.846 3.257 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001324516424 1387657966 /nfs/dbraw/zinc/65/79/66/1387657966.db2.gz NNECUGQEEXGRSD-ZDUSSCGKSA-N 2 2 347.846 3.257 20 0 EGADLP C[C@H](CC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001100715533 1364232722 /nfs/dbraw/zinc/23/27/22/1364232722.db2.gz PIXXEWFXUAFTBJ-IPJUCJBFSA-N 2 2 346.519 3.289 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613410 1365137695 /nfs/dbraw/zinc/13/76/95/1365137695.db2.gz AFQQRGGNNUKALS-ASIGSXEYSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613410 1365137696 /nfs/dbraw/zinc/13/76/96/1365137696.db2.gz AFQQRGGNNUKALS-ASIGSXEYSA-N 2 2 346.519 3.094 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185492169 1387730751 /nfs/dbraw/zinc/73/07/51/1387730751.db2.gz LYTJLUMSIFSFFL-NGHLMZTLSA-N 2 2 346.519 3.118 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315251 1365979655 /nfs/dbraw/zinc/97/96/55/1365979655.db2.gz MQHRFYIDIGRSAD-BRSBDYLESA-N 2 2 346.519 3.168 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315251 1365979657 /nfs/dbraw/zinc/97/96/57/1365979657.db2.gz MQHRFYIDIGRSAD-BRSBDYLESA-N 2 2 346.519 3.168 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001104468691 1366040844 /nfs/dbraw/zinc/04/08/44/1366040844.db2.gz PRFPHHDJSLWVDM-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738016 1366151095 /nfs/dbraw/zinc/15/10/95/1366151095.db2.gz BILVOOOWPGKSCN-RTLRUIJZSA-N 2 2 346.519 3.265 20 0 EGADLP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551495 1366526533 /nfs/dbraw/zinc/52/65/33/1366526533.db2.gz DQYJMRCZXJTWNZ-SFHVURJKSA-N 2 2 346.519 3.214 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566511 1366534907 /nfs/dbraw/zinc/53/49/07/1366534907.db2.gz OKKUDRFGJHOLLV-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573442 1367050861 /nfs/dbraw/zinc/05/08/61/1367050861.db2.gz BAGQOTYVNNNEQW-YVWKXTFCSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573442 1367050866 /nfs/dbraw/zinc/05/08/66/1367050866.db2.gz BAGQOTYVNNNEQW-YVWKXTFCSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573442 1367050870 /nfs/dbraw/zinc/05/08/70/1367050870.db2.gz BAGQOTYVNNNEQW-YVWKXTFCSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573442 1367050873 /nfs/dbraw/zinc/05/08/73/1367050873.db2.gz BAGQOTYVNNNEQW-YVWKXTFCSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)c[nH+]1 ZINC001190898457 1367378081 /nfs/dbraw/zinc/37/80/81/1367378081.db2.gz BRAGCSFHHDLNFS-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)c[nH+]1 ZINC001190898457 1367378087 /nfs/dbraw/zinc/37/80/87/1367378087.db2.gz BRAGCSFHHDLNFS-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001111077909 1368153246 /nfs/dbraw/zinc/15/32/46/1368153246.db2.gz BURNSLQBDPNPMK-AITUJVMLSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001111077909 1368153248 /nfs/dbraw/zinc/15/32/48/1368153248.db2.gz BURNSLQBDPNPMK-AITUJVMLSA-N 2 2 344.503 3.136 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268358 1368219820 /nfs/dbraw/zinc/21/98/20/1368219820.db2.gz GWSZFUFWSJUUMY-HFSMHLIXSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268358 1368219822 /nfs/dbraw/zinc/21/98/22/1368219822.db2.gz GWSZFUFWSJUUMY-HFSMHLIXSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268358 1368219828 /nfs/dbraw/zinc/21/98/28/1368219828.db2.gz GWSZFUFWSJUUMY-HFSMHLIXSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268358 1368219830 /nfs/dbraw/zinc/21/98/30/1368219830.db2.gz GWSZFUFWSJUUMY-HFSMHLIXSA-N 2 2 344.499 3.172 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001196242912 1368574195 /nfs/dbraw/zinc/57/41/95/1368574195.db2.gz PIDXDAMPESKMFW-GOSISDBHSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001196242912 1368574197 /nfs/dbraw/zinc/57/41/97/1368574197.db2.gz PIDXDAMPESKMFW-GOSISDBHSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242405 1368574610 /nfs/dbraw/zinc/57/46/10/1368574610.db2.gz HAWRNFYVUGVBBT-IBGZPJMESA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)CCC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242405 1368574612 /nfs/dbraw/zinc/57/46/12/1368574612.db2.gz HAWRNFYVUGVBBT-IBGZPJMESA-N 2 2 348.535 3.441 20 0 EGADLP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563030 1368929467 /nfs/dbraw/zinc/92/94/67/1368929467.db2.gz BMXXTCLWWRDDPG-JXFKEZNVSA-N 2 2 346.519 3.096 20 0 EGADLP CCC(CC)C[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112991496 1369125867 /nfs/dbraw/zinc/12/58/67/1369125867.db2.gz NJUNSALRYRPFEC-GOSISDBHSA-N 2 2 334.508 3.051 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112991503 1369126583 /nfs/dbraw/zinc/12/65/83/1369126583.db2.gz NPHMRASANGEUOD-SFHVURJKSA-N 2 2 334.508 3.195 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994614 1369127809 /nfs/dbraw/zinc/12/78/09/1369127809.db2.gz CQIVONODJWHDOP-OALUTQOASA-N 2 2 348.535 3.297 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)[NH+](CC)CC ZINC001113341282 1369359029 /nfs/dbraw/zinc/35/90/29/1369359029.db2.gz QQEXBMIUYOPGPT-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001200705128 1369417269 /nfs/dbraw/zinc/41/72/69/1369417269.db2.gz ZPTFOCKFFHAFRA-PZJWPPBQSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001200705128 1369417272 /nfs/dbraw/zinc/41/72/72/1369417272.db2.gz ZPTFOCKFFHAFRA-PZJWPPBQSA-N 2 2 342.458 3.107 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](CCCC(C)C)CC1)c1ccccc1 ZINC001113529125 1369479776 /nfs/dbraw/zinc/47/97/76/1369479776.db2.gz FDXYQNDVMAILSC-FQEVSTJZSA-N 2 2 345.531 3.260 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](CCCC(C)C)CC1)c1ccccc1 ZINC001113529125 1369479779 /nfs/dbraw/zinc/47/97/79/1369479779.db2.gz FDXYQNDVMAILSC-FQEVSTJZSA-N 2 2 345.531 3.260 20 0 EGADLP CC(C)(C)CC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201260990 1369506357 /nfs/dbraw/zinc/50/63/57/1369506357.db2.gz UYBOFMIATIOHOK-UHFFFAOYSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201260475 1369506664 /nfs/dbraw/zinc/50/66/64/1369506664.db2.gz OBLODXAHXDBIMD-HNNXBMFYSA-N 2 2 342.487 3.439 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564811 1369577566 /nfs/dbraw/zinc/57/75/66/1369577566.db2.gz CRAVKURICLYLSA-DFQSSKMNSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564811 1369577569 /nfs/dbraw/zinc/57/75/69/1369577569.db2.gz CRAVKURICLYLSA-DFQSSKMNSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564811 1369577574 /nfs/dbraw/zinc/57/75/74/1369577574.db2.gz CRAVKURICLYLSA-DFQSSKMNSA-N 2 2 332.536 3.390 20 0 EGADLP CCCC[C@H](CC)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201564811 1369577576 /nfs/dbraw/zinc/57/75/76/1369577576.db2.gz CRAVKURICLYLSA-DFQSSKMNSA-N 2 2 332.536 3.390 20 0 EGADLP CCC/C=C/CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202693689 1369853730 /nfs/dbraw/zinc/85/37/30/1369853730.db2.gz CCIXWLZRIXKOSQ-FUTAKVPZSA-N 2 2 332.492 3.161 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203076902 1369974578 /nfs/dbraw/zinc/97/45/78/1369974578.db2.gz ANANCONBRCBUII-ZWKOTPCHSA-N 2 2 340.471 3.384 20 0 EGADLP CCc1[nH]c(C[N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c(C)[nH+]1 ZINC001203240871 1370036181 /nfs/dbraw/zinc/03/61/81/1370036181.db2.gz LLHVGVCRDCOIEC-UHFFFAOYSA-N 2 2 347.466 3.338 20 0 EGADLP CCc1[nH]c(C[N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c(C)[nH+]1 ZINC001203240871 1370036183 /nfs/dbraw/zinc/03/61/83/1370036183.db2.gz LLHVGVCRDCOIEC-UHFFFAOYSA-N 2 2 347.466 3.338 20 0 EGADLP CC[NH+](CC)CCOC(=O)c1ccc(Nc2ccc(NC)[nH+]c2)cc1 ZINC001203456363 1370133704 /nfs/dbraw/zinc/13/37/04/1370133704.db2.gz DIUFPXZLCJNATN-UHFFFAOYSA-N 2 2 342.443 3.366 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203536708 1370160384 /nfs/dbraw/zinc/16/03/84/1370160384.db2.gz FLJVKKREMLCPJY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203536708 1370160387 /nfs/dbraw/zinc/16/03/87/1370160387.db2.gz FLJVKKREMLCPJY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203536708 1370160388 /nfs/dbraw/zinc/16/03/88/1370160388.db2.gz FLJVKKREMLCPJY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001203536708 1370160389 /nfs/dbraw/zinc/16/03/89/1370160389.db2.gz FLJVKKREMLCPJY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203661978 1370207602 /nfs/dbraw/zinc/20/76/02/1370207602.db2.gz XFCGJWVSDULPKT-DLBZAZTESA-N 2 2 346.519 3.104 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813401 1370273878 /nfs/dbraw/zinc/27/38/78/1370273878.db2.gz CLXIDYPUIKNIIF-SJORKVTESA-N 2 2 346.519 3.117 20 0 EGADLP CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813114 1370274238 /nfs/dbraw/zinc/27/42/38/1370274238.db2.gz AYMFURYXPCIJNS-MSOLQXFVSA-N 2 2 346.519 3.261 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001203898570 1370304759 /nfs/dbraw/zinc/30/47/59/1370304759.db2.gz CXNRDMAANNBLPU-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001203898570 1370304767 /nfs/dbraw/zinc/30/47/67/1370304767.db2.gz CXNRDMAANNBLPU-LJQANCHMSA-N 2 2 332.488 3.079 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203953776 1370328041 /nfs/dbraw/zinc/32/80/41/1370328041.db2.gz STJDBXQBHDNESA-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203953776 1370328044 /nfs/dbraw/zinc/32/80/44/1370328044.db2.gz STJDBXQBHDNESA-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001203953776 1370328050 /nfs/dbraw/zinc/32/80/50/1370328050.db2.gz STJDBXQBHDNESA-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001203953776 1370328054 /nfs/dbraw/zinc/32/80/54/1370328054.db2.gz STJDBXQBHDNESA-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001203961095 1370332690 /nfs/dbraw/zinc/33/26/90/1370332690.db2.gz ATLHZFYZMKVUJL-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1 ZINC001203968610 1370334707 /nfs/dbraw/zinc/33/47/07/1370334707.db2.gz LKHVPFUVDOIOHW-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001203968610 1370334713 /nfs/dbraw/zinc/33/47/13/1370334713.db2.gz LKHVPFUVDOIOHW-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP COCC[N@H+](Cc1cc(Br)cs1)C1CC[NH+](C)CC1 ZINC001204025173 1370351716 /nfs/dbraw/zinc/35/17/16/1370351716.db2.gz DWNZSWFIMMLOGC-UHFFFAOYSA-N 2 2 347.322 3.053 20 0 EGADLP COCC[N@@H+](Cc1cc(Br)cs1)C1CC[NH+](C)CC1 ZINC001204025173 1370351722 /nfs/dbraw/zinc/35/17/22/1370351722.db2.gz DWNZSWFIMMLOGC-UHFFFAOYSA-N 2 2 347.322 3.053 20 0 EGADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC001204036039 1370355637 /nfs/dbraw/zinc/35/56/37/1370355637.db2.gz JGQXXCABKZZRBH-QYZOEREBSA-N 2 2 344.528 3.318 20 0 EGADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccsc3)CC[C@@H]21 ZINC001204036039 1370355644 /nfs/dbraw/zinc/35/56/44/1370355644.db2.gz JGQXXCABKZZRBH-QYZOEREBSA-N 2 2 344.528 3.318 20 0 EGADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21 ZINC001204036039 1370355651 /nfs/dbraw/zinc/35/56/51/1370355651.db2.gz JGQXXCABKZZRBH-QYZOEREBSA-N 2 2 344.528 3.318 20 0 EGADLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21 ZINC001204036039 1370355653 /nfs/dbraw/zinc/35/56/53/1370355653.db2.gz JGQXXCABKZZRBH-QYZOEREBSA-N 2 2 344.528 3.318 20 0 EGADLP C[C@H]([NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC001204068543 1370366442 /nfs/dbraw/zinc/36/64/42/1370366442.db2.gz HJFQFJOPUIPYRD-KRWDZBQOSA-N 2 2 340.471 3.005 20 0 EGADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC001204717317 1370553018 /nfs/dbraw/zinc/55/30/18/1370553018.db2.gz GUZIDQKCEAZVKA-UHFFFAOYSA-N 2 2 345.874 3.032 20 0 EGADLP Clc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cc[nH+]c1 ZINC001204742653 1370561671 /nfs/dbraw/zinc/56/16/71/1370561671.db2.gz PTUSLBPHXMABRL-UHFFFAOYSA-N 3 2 344.890 3.491 20 0 EGADLP Clc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cc[nH+]c1 ZINC001204742653 1370561677 /nfs/dbraw/zinc/56/16/77/1370561677.db2.gz PTUSLBPHXMABRL-UHFFFAOYSA-N 3 2 344.890 3.491 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001204877412 1370594368 /nfs/dbraw/zinc/59/43/68/1370594368.db2.gz INHMBURZJZHIOV-HNNXBMFYSA-N 2 2 346.272 3.434 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001204877412 1370594369 /nfs/dbraw/zinc/59/43/69/1370594369.db2.gz INHMBURZJZHIOV-HNNXBMFYSA-N 2 2 346.272 3.434 20 0 EGADLP CC(C)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115594896 1370595855 /nfs/dbraw/zinc/59/58/55/1370595855.db2.gz DLJUVRJGKBKRCB-UHFFFAOYSA-N 2 2 328.460 3.241 20 0 EGADLP C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001204884903 1370596543 /nfs/dbraw/zinc/59/65/43/1370596543.db2.gz CWNLRZXPFIZBCF-QPJJXVBHSA-N 2 2 347.506 3.163 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001205016835 1370630055 /nfs/dbraw/zinc/63/00/55/1370630055.db2.gz KYQSKMIQXILHQV-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)cc(Br)cc2C)C1 ZINC001205016835 1370630058 /nfs/dbraw/zinc/63/00/58/1370630058.db2.gz KYQSKMIQXILHQV-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP Cc1cc(Br)c(Cl)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205155886 1370665568 /nfs/dbraw/zinc/66/55/68/1370665568.db2.gz GTMRQTNPZHJDSM-CMPLNLGQSA-N 2 2 331.685 3.438 20 0 EGADLP Cc1cc(Br)c(Cl)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205155886 1370665573 /nfs/dbraw/zinc/66/55/73/1370665573.db2.gz GTMRQTNPZHJDSM-CMPLNLGQSA-N 2 2 331.685 3.438 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266405 1370700076 /nfs/dbraw/zinc/70/00/76/1370700076.db2.gz UGEHORIVPLSTRF-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205266405 1370700080 /nfs/dbraw/zinc/70/00/80/1370700080.db2.gz UGEHORIVPLSTRF-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)ccc1Br ZINC001205281114 1370705161 /nfs/dbraw/zinc/70/51/61/1370705161.db2.gz PUCJSMGEXRDFIV-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)ccc1Br ZINC001205281114 1370705166 /nfs/dbraw/zinc/70/51/66/1370705166.db2.gz PUCJSMGEXRDFIV-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725023 1370705812 /nfs/dbraw/zinc/70/58/12/1370705812.db2.gz GCURTHHKDLCPBG-INIZCTEOSA-N 2 2 346.519 3.429 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001115748722 1370729186 /nfs/dbraw/zinc/72/91/86/1370729186.db2.gz FATWNFKBMYOMNG-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP CC(C)=CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752579 1370734705 /nfs/dbraw/zinc/73/47/05/1370734705.db2.gz KILWGKDZWUETKY-QGZVFWFLSA-N 2 2 332.492 3.209 20 0 EGADLP CCC(CC)C[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205511969 1370776594 /nfs/dbraw/zinc/77/65/94/1370776594.db2.gz ALMKVBRQGWNAOY-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512690 1370776599 /nfs/dbraw/zinc/77/65/99/1370776599.db2.gz OWDWYNHVRSEXRU-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC001116065441 1370830776 /nfs/dbraw/zinc/83/07/76/1370830776.db2.gz PXEGYZVPJDCCMZ-UHFFFAOYSA-N 2 2 344.321 3.429 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cncc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205788952 1370871184 /nfs/dbraw/zinc/87/11/84/1370871184.db2.gz UDVCMNMELLEDCY-MRXNPFEDSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cncc(-c3ccc(F)cc3)c2)CCC1(F)F ZINC001205788952 1370871187 /nfs/dbraw/zinc/87/11/87/1370871187.db2.gz UDVCMNMELLEDCY-MRXNPFEDSA-N 2 2 335.373 3.304 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C[C@@H]1[NH3+] ZINC001205889147 1370901706 /nfs/dbraw/zinc/90/17/06/1370901706.db2.gz VDSPRECEVLKYMN-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C[C@@H]1[NH3+] ZINC001205889147 1370901710 /nfs/dbraw/zinc/90/17/10/1370901710.db2.gz VDSPRECEVLKYMN-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC001116429765 1370909676 /nfs/dbraw/zinc/90/96/76/1370909676.db2.gz UDMHPTASWIEZMN-FQEVSTJZSA-N 2 2 337.467 3.422 20 0 EGADLP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC001116429765 1370909681 /nfs/dbraw/zinc/90/96/81/1370909681.db2.gz UDMHPTASWIEZMN-FQEVSTJZSA-N 2 2 337.467 3.422 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923922 1370913051 /nfs/dbraw/zinc/91/30/51/1370913051.db2.gz QGRIGAMREXZAOO-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205923922 1370913056 /nfs/dbraw/zinc/91/30/56/1370913056.db2.gz QGRIGAMREXZAOO-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001205939535 1370918587 /nfs/dbraw/zinc/91/85/87/1370918587.db2.gz RDDYOGNIBFJTBX-OAHLLOKOSA-N 2 2 338.377 3.409 20 0 EGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001205939535 1370918592 /nfs/dbraw/zinc/91/85/92/1370918592.db2.gz RDDYOGNIBFJTBX-OAHLLOKOSA-N 2 2 338.377 3.409 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428390 1371052347 /nfs/dbraw/zinc/05/23/47/1371052347.db2.gz ZKHZJPFNDHNPQW-QWNKOJSDSA-N 2 2 346.519 3.409 20 0 EGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1Nc1cc[nH+]c(N)c1 ZINC001206543286 1371089008 /nfs/dbraw/zinc/08/90/08/1371089008.db2.gz VLRLEAMIIXXQBQ-UHFFFAOYSA-N 2 2 332.205 3.434 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555438 1371091999 /nfs/dbraw/zinc/09/19/99/1371091999.db2.gz LFZGPUDENCBRQR-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206555438 1371092005 /nfs/dbraw/zinc/09/20/05/1371092005.db2.gz LFZGPUDENCBRQR-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555437 1371092481 /nfs/dbraw/zinc/09/24/81/1371092481.db2.gz LFZGPUDENCBRQR-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206555437 1371092483 /nfs/dbraw/zinc/09/24/83/1371092483.db2.gz LFZGPUDENCBRQR-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206648736 1371119739 /nfs/dbraw/zinc/11/97/39/1371119739.db2.gz OSFXTHHDEWIAGG-CYBMUJFWSA-N 2 2 341.293 3.327 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206648736 1371119741 /nfs/dbraw/zinc/11/97/41/1371119741.db2.gz OSFXTHHDEWIAGG-CYBMUJFWSA-N 2 2 341.293 3.327 20 0 EGADLP COc1ccc2cc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)c(Cl)nc2c1 ZINC001206769754 1371159669 /nfs/dbraw/zinc/15/96/69/1371159669.db2.gz QCLKTLOSWWBNJG-OLZOCXBDSA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)c(Cl)nc2c1 ZINC001206769754 1371159672 /nfs/dbraw/zinc/15/96/72/1371159672.db2.gz QCLKTLOSWWBNJG-OLZOCXBDSA-N 2 2 333.863 3.456 20 0 EGADLP CC(C)[N@H+](CCc1c(Cl)ncnc1Cl)C1CC[NH+](C)CC1 ZINC001207333689 1371363530 /nfs/dbraw/zinc/36/35/30/1371363530.db2.gz ZSYSPDCIWIOCQV-UHFFFAOYSA-N 2 2 331.291 3.131 20 0 EGADLP CC(C)[N@@H+](CCc1c(Cl)ncnc1Cl)C1CC[NH+](C)CC1 ZINC001207333689 1371363538 /nfs/dbraw/zinc/36/35/38/1371363538.db2.gz ZSYSPDCIWIOCQV-UHFFFAOYSA-N 2 2 331.291 3.131 20 0 EGADLP CC(C)[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207376507 1371379197 /nfs/dbraw/zinc/37/91/97/1371379197.db2.gz AVUIZPQHRJAICO-QGZVFWFLSA-N 2 2 339.524 3.191 20 0 EGADLP CC(C)[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207376507 1371379202 /nfs/dbraw/zinc/37/92/02/1371379202.db2.gz AVUIZPQHRJAICO-QGZVFWFLSA-N 2 2 339.524 3.191 20 0 EGADLP c1ccc(CCCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001207611909 1371452124 /nfs/dbraw/zinc/45/21/24/1371452124.db2.gz SBNXOKLWNIKNCX-OYRHEFFESA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001207611909 1371452125 /nfs/dbraw/zinc/45/21/25/1371452125.db2.gz SBNXOKLWNIKNCX-OYRHEFFESA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001207611909 1371452129 /nfs/dbraw/zinc/45/21/29/1371452129.db2.gz SBNXOKLWNIKNCX-OYRHEFFESA-N 2 2 335.495 3.468 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001207611909 1371452132 /nfs/dbraw/zinc/45/21/32/1371452132.db2.gz SBNXOKLWNIKNCX-OYRHEFFESA-N 2 2 335.495 3.468 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624295 1371455748 /nfs/dbraw/zinc/45/57/48/1371455748.db2.gz AWXXQLLYPZVJQQ-FJIDUMEYSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624295 1371455753 /nfs/dbraw/zinc/45/57/53/1371455753.db2.gz AWXXQLLYPZVJQQ-FJIDUMEYSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624295 1371455756 /nfs/dbraw/zinc/45/57/56/1371455756.db2.gz AWXXQLLYPZVJQQ-FJIDUMEYSA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@H]2C ZINC001207624295 1371455761 /nfs/dbraw/zinc/45/57/61/1371455761.db2.gz AWXXQLLYPZVJQQ-FJIDUMEYSA-N 2 2 328.504 3.312 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001120574372 1371616139 /nfs/dbraw/zinc/61/61/39/1371616139.db2.gz YHWIFVONMYBZOL-KRWDZBQOSA-N 2 2 346.450 3.364 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)CCCC1 ZINC001208191773 1371631285 /nfs/dbraw/zinc/63/12/85/1371631285.db2.gz PLGYAFMBCAFFBK-UHFFFAOYSA-N 2 2 338.499 3.352 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)CCCC1 ZINC001208191773 1371631292 /nfs/dbraw/zinc/63/12/92/1371631292.db2.gz PLGYAFMBCAFFBK-UHFFFAOYSA-N 2 2 338.499 3.352 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208361617 1371735727 /nfs/dbraw/zinc/73/57/27/1371735727.db2.gz GIBNAADRCMNPAJ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001208361617 1371735730 /nfs/dbraw/zinc/73/57/30/1371735730.db2.gz GIBNAADRCMNPAJ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP CCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411442 1371758769 /nfs/dbraw/zinc/75/87/69/1371758769.db2.gz UISCSXGPVZJIRM-KRWDZBQOSA-N 2 2 334.508 3.088 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208419856 1371760704 /nfs/dbraw/zinc/76/07/04/1371760704.db2.gz CYPCBQJIBOJPDD-RDJZCZTQSA-N 2 2 342.487 3.439 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC001208615986 1371843814 /nfs/dbraw/zinc/84/38/14/1371843814.db2.gz JDOJXWJUAZPJCK-HNNXBMFYSA-N 2 2 341.421 3.169 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC001208615986 1371843819 /nfs/dbraw/zinc/84/38/19/1371843819.db2.gz JDOJXWJUAZPJCK-HNNXBMFYSA-N 2 2 341.421 3.169 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001208728013 1371876856 /nfs/dbraw/zinc/87/68/56/1371876856.db2.gz MFLYUSLIRZTQQZ-PKVWGGKHSA-N 2 2 349.544 3.331 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001208728013 1371876857 /nfs/dbraw/zinc/87/68/57/1371876857.db2.gz MFLYUSLIRZTQQZ-PKVWGGKHSA-N 2 2 349.544 3.331 20 0 EGADLP CC/C=C\CC[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001208728013 1371876858 /nfs/dbraw/zinc/87/68/58/1371876858.db2.gz MFLYUSLIRZTQQZ-PKVWGGKHSA-N 2 2 349.544 3.331 20 0 EGADLP CC/C=C\CC[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001208728013 1371876864 /nfs/dbraw/zinc/87/68/64/1371876864.db2.gz MFLYUSLIRZTQQZ-PKVWGGKHSA-N 2 2 349.544 3.331 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942981 1371957390 /nfs/dbraw/zinc/95/73/90/1371957390.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942981 1371957394 /nfs/dbraw/zinc/95/73/94/1371957394.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942981 1371957398 /nfs/dbraw/zinc/95/73/98/1371957398.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208942981 1371957402 /nfs/dbraw/zinc/95/74/02/1371957402.db2.gz KONPKYDKMQBROS-FDFHNCONSA-N 3 2 341.543 3.172 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cc(F)cc(F)c1)C2 ZINC001209131131 1372008079 /nfs/dbraw/zinc/00/80/79/1372008079.db2.gz ZHWSMSYKPXSHFN-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cc(F)cc(F)c1)C2 ZINC001209131131 1372008080 /nfs/dbraw/zinc/00/80/80/1372008080.db2.gz ZHWSMSYKPXSHFN-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cc(F)cc(F)c1)C2 ZINC001209131131 1372008085 /nfs/dbraw/zinc/00/80/85/1372008085.db2.gz ZHWSMSYKPXSHFN-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP C1=C2CCC[N@@H+](CCCC3OCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001209310820 1372066172 /nfs/dbraw/zinc/06/61/72/1372066172.db2.gz SHLBQDOSMNCKHS-QEUVDIPISA-N 2 2 346.515 3.035 20 0 EGADLP C1=C2CCC[N@H+](CCCC3OCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001209310820 1372066177 /nfs/dbraw/zinc/06/61/77/1372066177.db2.gz SHLBQDOSMNCKHS-QEUVDIPISA-N 2 2 346.515 3.035 20 0 EGADLP C1=C2CCC[NH+](CCCC3OCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001209310820 1372066179 /nfs/dbraw/zinc/06/61/79/1372066179.db2.gz SHLBQDOSMNCKHS-QEUVDIPISA-N 2 2 346.515 3.035 20 0 EGADLP C1=C2CCC[NH+](CCCC3OCCO3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001209310820 1372066184 /nfs/dbraw/zinc/06/61/84/1372066184.db2.gz SHLBQDOSMNCKHS-QEUVDIPISA-N 2 2 346.515 3.035 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360202 1372077542 /nfs/dbraw/zinc/07/75/42/1372077542.db2.gz XRHJNQKSGLCERI-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360202 1372077545 /nfs/dbraw/zinc/07/75/45/1372077545.db2.gz XRHJNQKSGLCERI-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360202 1372077549 /nfs/dbraw/zinc/07/75/49/1372077549.db2.gz XRHJNQKSGLCERI-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360202 1372077551 /nfs/dbraw/zinc/07/75/51/1372077551.db2.gz XRHJNQKSGLCERI-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378653 1372082783 /nfs/dbraw/zinc/08/27/83/1372082783.db2.gz DVXOYWHEBOGZKL-FLXSYLCISA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378653 1372082785 /nfs/dbraw/zinc/08/27/85/1372082785.db2.gz DVXOYWHEBOGZKL-FLXSYLCISA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378653 1372082789 /nfs/dbraw/zinc/08/27/89/1372082789.db2.gz DVXOYWHEBOGZKL-FLXSYLCISA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378653 1372082792 /nfs/dbraw/zinc/08/27/92/1372082792.db2.gz DVXOYWHEBOGZKL-FLXSYLCISA-N 2 2 349.544 3.243 20 0 EGADLP COC1CCC(C[N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001209391438 1372088887 /nfs/dbraw/zinc/08/88/87/1372088887.db2.gz NWTJWLMUPDFRJT-LRYGQEGESA-N 2 2 348.535 3.305 20 0 EGADLP COC1CCC(C[N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001209391438 1372088890 /nfs/dbraw/zinc/08/88/90/1372088890.db2.gz NWTJWLMUPDFRJT-LRYGQEGESA-N 2 2 348.535 3.305 20 0 EGADLP COC1CCC(C[NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001209391438 1372088892 /nfs/dbraw/zinc/08/88/92/1372088892.db2.gz NWTJWLMUPDFRJT-LRYGQEGESA-N 2 2 348.535 3.305 20 0 EGADLP COC1CCC(C[NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001209391438 1372088894 /nfs/dbraw/zinc/08/88/94/1372088894.db2.gz NWTJWLMUPDFRJT-LRYGQEGESA-N 2 2 348.535 3.305 20 0 EGADLP COC1CCC(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392090 1372089049 /nfs/dbraw/zinc/08/90/49/1372089049.db2.gz ZSPYZTPGHCEETN-GPQLOAJWSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392090 1372089061 /nfs/dbraw/zinc/08/90/61/1372089061.db2.gz ZSPYZTPGHCEETN-GPQLOAJWSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001209392090 1372089064 /nfs/dbraw/zinc/08/90/64/1372089064.db2.gz ZSPYZTPGHCEETN-GPQLOAJWSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001209392090 1372089069 /nfs/dbraw/zinc/08/90/69/1372089069.db2.gz ZSPYZTPGHCEETN-GPQLOAJWSA-N 2 2 349.544 3.245 20 0 EGADLP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121848926 1372101286 /nfs/dbraw/zinc/10/12/86/1372101286.db2.gz SYELGQCGWMNDRH-PXDXYCSTSA-N 2 2 344.503 3.208 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209568547 1372138930 /nfs/dbraw/zinc/13/89/30/1372138930.db2.gz NNWANSHEYOGGNC-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CCc1cc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)nc(CC)[nH+]1 ZINC001187932298 1388193788 /nfs/dbraw/zinc/19/37/88/1388193788.db2.gz UYUJUJVFPALKQG-MRXNPFEDSA-N 2 2 330.863 3.406 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438178 1372353000 /nfs/dbraw/zinc/35/30/00/1372353000.db2.gz QEBBCQPFEOJXFE-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP COc1cc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc(C)[nH+]1 ZINC001210780499 1372425194 /nfs/dbraw/zinc/42/51/94/1372425194.db2.gz ARFGPXOYYUXZTL-UHFFFAOYSA-N 2 2 330.407 3.033 20 0 EGADLP CC[C@H]1CC[C@H](c2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc2)CC1 ZINC001211755551 1372612327 /nfs/dbraw/zinc/61/23/27/1372612327.db2.gz SEIQDTHQTDHMSB-USJZOSNVSA-N 2 2 340.471 3.435 20 0 EGADLP CCN(C)c1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)c[nH+]1 ZINC001212713163 1372759116 /nfs/dbraw/zinc/75/91/16/1372759116.db2.gz YSXPQFKWTMJTJB-UHFFFAOYSA-N 2 2 325.460 3.033 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213030725 1372823892 /nfs/dbraw/zinc/82/38/92/1372823892.db2.gz ODMFZROBCFFABO-UHFFFAOYSA-N 2 2 337.427 3.067 20 0 EGADLP C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)n1cc[nH+]c1 ZINC001326563527 1388240317 /nfs/dbraw/zinc/24/03/17/1388240317.db2.gz GJCZSXBMBHWJFO-OAHLLOKOSA-N 2 2 344.484 3.271 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001214946001 1373146071 /nfs/dbraw/zinc/14/60/71/1373146071.db2.gz HKOZOULAGQWHHT-LZLYRXPVSA-N 2 2 348.535 3.045 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132353 1373175476 /nfs/dbraw/zinc/17/54/76/1373175476.db2.gz BWLBPTCCSWUPRY-MBZYTVFJSA-N 2 2 340.471 3.131 20 0 EGADLP Nc1cc[nH+]cc1C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218848273 1373660728 /nfs/dbraw/zinc/66/07/28/1373660728.db2.gz SUBBTHUCXSUIEY-UHFFFAOYSA-N 2 2 344.418 3.262 20 0 EGADLP Nc1cc[nH+]cc1C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218848273 1373660729 /nfs/dbraw/zinc/66/07/29/1373660729.db2.gz SUBBTHUCXSUIEY-UHFFFAOYSA-N 2 2 344.418 3.262 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2)c(C)[nH+]1 ZINC001131562978 1373721346 /nfs/dbraw/zinc/72/13/46/1373721346.db2.gz SQWNMIXWHOJJPZ-CQSZACIVSA-N 2 2 329.419 3.227 20 0 EGADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001220192792 1373757074 /nfs/dbraw/zinc/75/70/74/1373757074.db2.gz BRDMWICYQRZXIL-UHFFFAOYSA-N 2 2 347.507 3.123 20 0 EGADLP COc1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173118 1373818965 /nfs/dbraw/zinc/81/89/65/1373818965.db2.gz QYWONFUPICJEQA-FQEVSTJZSA-N 2 2 342.487 3.317 20 0 EGADLP COc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173118 1373818972 /nfs/dbraw/zinc/81/89/72/1373818972.db2.gz QYWONFUPICJEQA-FQEVSTJZSA-N 2 2 342.487 3.317 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001131972575 1375076778 /nfs/dbraw/zinc/07/67/78/1375076778.db2.gz OQOYQGCKWIHZAJ-HXUWFJFHSA-N 2 2 348.450 3.343 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132133065 1375163841 /nfs/dbraw/zinc/16/38/41/1375163841.db2.gz XLXJSRMDESUDJQ-HOCLYGCPSA-N 2 2 328.460 3.336 20 0 EGADLP CCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132133065 1375163845 /nfs/dbraw/zinc/16/38/45/1375163845.db2.gz XLXJSRMDESUDJQ-HOCLYGCPSA-N 2 2 328.460 3.336 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC1CCCC1 ZINC001132221725 1375219672 /nfs/dbraw/zinc/21/96/72/1375219672.db2.gz NGQCKNDGJVUGHO-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC1CCCC1 ZINC001132221725 1375219676 /nfs/dbraw/zinc/21/96/76/1375219676.db2.gz NGQCKNDGJVUGHO-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546545 1375453681 /nfs/dbraw/zinc/45/36/81/1375453681.db2.gz NTHQOZYBBXLPNE-MSOLQXFVSA-N 2 2 334.508 3.213 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546545 1375453686 /nfs/dbraw/zinc/45/36/86/1375453686.db2.gz NTHQOZYBBXLPNE-MSOLQXFVSA-N 2 2 334.508 3.213 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529623 1375589030 /nfs/dbraw/zinc/58/90/30/1375589030.db2.gz WLJWGOVTNIQTFW-ARFHVFGLSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CCC1CC1 ZINC001132919543 1375643691 /nfs/dbraw/zinc/64/36/91/1375643691.db2.gz LKLNYHOHLAYVEC-RHSMWYFYSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133245716 1375866607 /nfs/dbraw/zinc/86/66/07/1375866607.db2.gz JSIPITOWBWMDBT-IRXDYDNUSA-N 2 2 348.535 3.198 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133270379 1375885487 /nfs/dbraw/zinc/88/54/87/1375885487.db2.gz JHEKACSPCNRESE-ZZGCUDHESA-N 2 2 346.519 3.081 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363292 1375945350 /nfs/dbraw/zinc/94/53/50/1375945350.db2.gz GLQGGDDARQMPLY-MOPGFXCFSA-N 2 2 348.535 3.318 20 0 EGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC001231083283 1376200658 /nfs/dbraw/zinc/20/06/58/1376200658.db2.gz HWUDMOSFDVXWPC-IZAXUBKRSA-N 2 2 341.455 3.109 20 0 EGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)s1 ZINC001231498203 1376251437 /nfs/dbraw/zinc/25/14/37/1376251437.db2.gz BYTYTHFLBQWERU-IAGOWNOFSA-N 2 2 327.497 3.269 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(C)n1 ZINC001232081383 1376397075 /nfs/dbraw/zinc/39/70/75/1376397075.db2.gz WENJUTVRFJLXBQ-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235743 1376427278 /nfs/dbraw/zinc/42/72/78/1376427278.db2.gz UEXVOTMHMIRPAV-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP CC[N@H+](Cc1ccc(-n2cccn2)cc1Cl)C1CC[NH+](C)CC1 ZINC001232595060 1376486980 /nfs/dbraw/zinc/48/69/80/1376486980.db2.gz CEMAWXAPZMUQRN-UHFFFAOYSA-N 2 2 332.879 3.442 20 0 EGADLP CC[N@@H+](Cc1ccc(-n2cccn2)cc1Cl)C1CC[NH+](C)CC1 ZINC001232595060 1376486987 /nfs/dbraw/zinc/48/69/87/1376486987.db2.gz CEMAWXAPZMUQRN-UHFFFAOYSA-N 2 2 332.879 3.442 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402838 1376512051 /nfs/dbraw/zinc/51/20/51/1376512051.db2.gz IHGQSXKLXZMYPV-JKSUJKDBSA-N 2 2 348.535 3.071 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@H]2C1 ZINC001232888048 1376532409 /nfs/dbraw/zinc/53/24/09/1376532409.db2.gz XAGCIIFYLGESBO-QZTJIDSGSA-N 2 2 325.431 3.271 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4cccc(F)c4)nc3)C[C@@H]2C1 ZINC001232888049 1376532832 /nfs/dbraw/zinc/53/28/32/1376532832.db2.gz XAGCIIFYLGESBO-ROUUACIJSA-N 2 2 325.431 3.271 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cnc1C ZINC001233159510 1376577273 /nfs/dbraw/zinc/57/72/73/1376577273.db2.gz WHRUVNJOGWRDCE-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cnc1C ZINC001233159510 1376577276 /nfs/dbraw/zinc/57/72/76/1376577276.db2.gz WHRUVNJOGWRDCE-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cnc1C ZINC001233159510 1376577280 /nfs/dbraw/zinc/57/72/80/1376577280.db2.gz WHRUVNJOGWRDCE-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cnc1C ZINC001233159510 1376577284 /nfs/dbraw/zinc/57/72/84/1376577284.db2.gz WHRUVNJOGWRDCE-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2sncc2C)CC1 ZINC001233322836 1376615912 /nfs/dbraw/zinc/61/59/12/1376615912.db2.gz WMZVDJVIBJYGSO-UHFFFAOYSA-N 2 2 338.565 3.081 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC2CCC2)c[nH+]1 ZINC001134728842 1376680788 /nfs/dbraw/zinc/68/07/88/1376680788.db2.gz CMVMADGAKDLEBN-HZPDHXFCSA-N 2 2 348.535 3.380 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963851 1376814377 /nfs/dbraw/zinc/81/43/77/1376814377.db2.gz BFODPMUUHCLARS-HOTGVXAUSA-N 2 2 342.487 3.401 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968965 1376818434 /nfs/dbraw/zinc/81/84/34/1376818434.db2.gz KHPYDAKPTKRKDX-QDNWOOLPSA-N 2 2 328.460 3.177 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235040965 1376839633 /nfs/dbraw/zinc/83/96/33/1376839633.db2.gz VANIXWYFAGQXIY-GOSISDBHSA-N 2 2 336.863 3.235 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235040965 1376839639 /nfs/dbraw/zinc/83/96/39/1376839639.db2.gz VANIXWYFAGQXIY-GOSISDBHSA-N 2 2 336.863 3.235 20 0 EGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115909 1376848189 /nfs/dbraw/zinc/84/81/89/1376848189.db2.gz SMUCETIELBCXJV-RXVVDRJESA-N 2 2 330.516 3.443 20 0 EGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115909 1376848190 /nfs/dbraw/zinc/84/81/90/1376848190.db2.gz SMUCETIELBCXJV-RXVVDRJESA-N 2 2 330.516 3.443 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCOC(C)C)c(C)[nH+]1 ZINC001135043116 1376865713 /nfs/dbraw/zinc/86/57/13/1376865713.db2.gz HCURLZAMMRSBBW-DOTOQJQBSA-N 2 2 349.519 3.308 20 0 EGADLP CC(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098384 1376897089 /nfs/dbraw/zinc/89/70/89/1376897089.db2.gz XCCZJMGZQNRVCH-HOTGVXAUSA-N 2 2 328.460 3.015 20 0 EGADLP COc1nc(C(C)C)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236446944 1376953205 /nfs/dbraw/zinc/95/32/05/1376953205.db2.gz USJREOUIFNMHHF-QGZVFWFLSA-N 2 2 325.456 3.414 20 0 EGADLP COc1nc(C(C)C)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236446944 1376953219 /nfs/dbraw/zinc/95/32/19/1376953219.db2.gz USJREOUIFNMHHF-QGZVFWFLSA-N 2 2 325.456 3.414 20 0 EGADLP CCOc1cc(C)ccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001250179033 1377082129 /nfs/dbraw/zinc/08/21/29/1377082129.db2.gz YSMQTQBXELXRKV-UHFFFAOYSA-N 2 2 331.460 3.024 20 0 EGADLP C[N@@H+]1CCC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511102 1377105524 /nfs/dbraw/zinc/10/55/24/1377105524.db2.gz VNBBWHQRFCOXFM-KRWDZBQOSA-N 3 2 335.923 3.160 20 0 EGADLP C[N@H+]1CCC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511102 1377105526 /nfs/dbraw/zinc/10/55/26/1377105526.db2.gz VNBBWHQRFCOXFM-KRWDZBQOSA-N 3 2 335.923 3.160 20 0 EGADLP CCC[C@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528550 1377107075 /nfs/dbraw/zinc/10/70/75/1377107075.db2.gz GYZVKUJMLLTOGX-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528550 1377107078 /nfs/dbraw/zinc/10/70/78/1377107078.db2.gz GYZVKUJMLLTOGX-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528550 1377107079 /nfs/dbraw/zinc/10/70/79/1377107079.db2.gz GYZVKUJMLLTOGX-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528550 1377107081 /nfs/dbraw/zinc/10/70/81/1377107081.db2.gz GYZVKUJMLLTOGX-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001136031273 1377305717 /nfs/dbraw/zinc/30/57/17/1377305717.db2.gz IDMVIYQFOJMSTC-JKSUJKDBSA-N 2 2 348.535 3.494 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261301 1388499210 /nfs/dbraw/zinc/49/92/10/1388499210.db2.gz OZJHLBQOEATAFD-DRDDEIGGSA-N 2 2 344.503 3.113 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261301 1388499215 /nfs/dbraw/zinc/49/92/15/1388499215.db2.gz OZJHLBQOEATAFD-DRDDEIGGSA-N 2 2 344.503 3.113 20 0 EGADLP CCC(CC)C[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001268212578 1377495765 /nfs/dbraw/zinc/49/57/65/1377495765.db2.gz KAVACDCDTRDTEX-SFHVURJKSA-N 2 2 344.503 3.423 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001137292004 1377511409 /nfs/dbraw/zinc/51/14/09/1377511409.db2.gz NPXIBCVMAQCEGG-UHFFFAOYSA-N 2 2 342.487 3.199 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001137292004 1377511410 /nfs/dbraw/zinc/51/14/10/1377511410.db2.gz NPXIBCVMAQCEGG-UHFFFAOYSA-N 2 2 342.487 3.199 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001138097225 1377676412 /nfs/dbraw/zinc/67/64/12/1377676412.db2.gz MSWNTZYXJUCRIP-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)c(C)c1 ZINC001138435761 1377723699 /nfs/dbraw/zinc/72/36/99/1377723699.db2.gz LWPRCOUXDCYVAQ-FQEVSTJZSA-N 2 2 346.515 3.469 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)c(C)c1 ZINC001138435761 1377723700 /nfs/dbraw/zinc/72/37/00/1377723700.db2.gz LWPRCOUXDCYVAQ-FQEVSTJZSA-N 2 2 346.515 3.469 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1 ZINC001138544516 1377740022 /nfs/dbraw/zinc/74/00/22/1377740022.db2.gz KKEGDNVAKKNZKG-UHFFFAOYSA-N 2 2 331.423 3.460 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1 ZINC001138544516 1377740023 /nfs/dbraw/zinc/74/00/23/1377740023.db2.gz KKEGDNVAKKNZKG-UHFFFAOYSA-N 2 2 331.423 3.460 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001138639687 1377760199 /nfs/dbraw/zinc/76/01/99/1377760199.db2.gz STXHRCFZNZVMKX-SFTDATJTSA-N 2 2 338.499 3.165 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138803656 1377788102 /nfs/dbraw/zinc/78/81/02/1377788102.db2.gz VTRLBHLUJYZUMM-MRXNPFEDSA-N 2 2 346.500 3.428 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC001138803656 1377788104 /nfs/dbraw/zinc/78/81/04/1377788104.db2.gz VTRLBHLUJYZUMM-MRXNPFEDSA-N 2 2 346.500 3.428 20 0 EGADLP C[N@@H+](Cc1cccc2ccnn21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138808571 1377789658 /nfs/dbraw/zinc/78/96/58/1377789658.db2.gz ZYIWIYVCTAICFR-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cccc2ccnn21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138808571 1377789660 /nfs/dbraw/zinc/78/96/60/1377789660.db2.gz ZYIWIYVCTAICFR-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2ccnn21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138808571 1377789662 /nfs/dbraw/zinc/78/96/62/1377789662.db2.gz ZYIWIYVCTAICFR-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2ccnn21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138808571 1377789665 /nfs/dbraw/zinc/78/96/65/1377789665.db2.gz ZYIWIYVCTAICFR-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001139015190 1377818360 /nfs/dbraw/zinc/81/83/60/1377818360.db2.gz CPUIWPPRYJEXQM-OAHLLOKOSA-N 2 2 337.345 3.457 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001139015190 1377818364 /nfs/dbraw/zinc/81/83/64/1377818364.db2.gz CPUIWPPRYJEXQM-OAHLLOKOSA-N 2 2 337.345 3.457 20 0 EGADLP CCCn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041577 1377821373 /nfs/dbraw/zinc/82/13/73/1377821373.db2.gz LKLNNWWDUSNEDD-NHCUHLMSSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041577 1377821374 /nfs/dbraw/zinc/82/13/74/1377821374.db2.gz LKLNNWWDUSNEDD-NHCUHLMSSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041577 1377821375 /nfs/dbraw/zinc/82/13/75/1377821375.db2.gz LKLNNWWDUSNEDD-NHCUHLMSSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041577 1377821376 /nfs/dbraw/zinc/82/13/76/1377821376.db2.gz LKLNNWWDUSNEDD-NHCUHLMSSA-N 2 2 338.499 3.247 20 0 EGADLP COc1cc(O)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139143766 1377838284 /nfs/dbraw/zinc/83/82/84/1377838284.db2.gz YAPSVYSMUMNOQX-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139143766 1377838285 /nfs/dbraw/zinc/83/82/85/1377838285.db2.gz YAPSVYSMUMNOQX-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139143766 1377838287 /nfs/dbraw/zinc/83/82/87/1377838287.db2.gz YAPSVYSMUMNOQX-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139143766 1377838290 /nfs/dbraw/zinc/83/82/90/1377838290.db2.gz YAPSVYSMUMNOQX-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c21 ZINC001139194438 1377848667 /nfs/dbraw/zinc/84/86/67/1377848667.db2.gz MOVJTJILFLWIMO-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c21 ZINC001139194438 1377848668 /nfs/dbraw/zinc/84/86/68/1377848668.db2.gz MOVJTJILFLWIMO-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c21 ZINC001139194438 1377848669 /nfs/dbraw/zinc/84/86/69/1377848669.db2.gz MOVJTJILFLWIMO-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c21 ZINC001139194438 1377848670 /nfs/dbraw/zinc/84/86/70/1377848670.db2.gz MOVJTJILFLWIMO-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1N ZINC001139273408 1377860959 /nfs/dbraw/zinc/86/09/59/1377860959.db2.gz XDBBZOZCIVDOPE-MRXNPFEDSA-N 2 2 347.503 3.126 20 0 EGADLP COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1N ZINC001139273408 1377860962 /nfs/dbraw/zinc/86/09/62/1377860962.db2.gz XDBBZOZCIVDOPE-MRXNPFEDSA-N 2 2 347.503 3.126 20 0 EGADLP C[C@H]1c2ccccc2CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320363 1377867521 /nfs/dbraw/zinc/86/75/21/1377867521.db2.gz UJPIEUAULPCLRA-HNNXBMFYSA-N 2 2 342.512 3.014 20 0 EGADLP C[C@H]1c2ccccc2CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320363 1377867522 /nfs/dbraw/zinc/86/75/22/1377867522.db2.gz UJPIEUAULPCLRA-HNNXBMFYSA-N 2 2 342.512 3.014 20 0 EGADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(C)cc1 ZINC001139325735 1377868854 /nfs/dbraw/zinc/86/88/54/1377868854.db2.gz YDTOMFGMXASLJS-UHFFFAOYSA-N 2 2 344.528 3.225 20 0 EGADLP CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001139364232 1377874533 /nfs/dbraw/zinc/87/45/33/1377874533.db2.gz PPKOQLSFAJSBME-AEFFLSMTSA-N 2 2 341.455 3.284 20 0 EGADLP CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001139364232 1377874534 /nfs/dbraw/zinc/87/45/34/1377874534.db2.gz PPKOQLSFAJSBME-AEFFLSMTSA-N 2 2 341.455 3.284 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CCC[C@@H]1C ZINC001139760238 1377947716 /nfs/dbraw/zinc/94/77/16/1377947716.db2.gz LDOXXHCGZTYRMF-OALUTQOASA-N 2 2 346.515 3.266 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CCC[C@@H]1C ZINC001139760238 1377947717 /nfs/dbraw/zinc/94/77/17/1377947717.db2.gz LDOXXHCGZTYRMF-OALUTQOASA-N 2 2 346.515 3.266 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@H]1C ZINC001139767583 1377948114 /nfs/dbraw/zinc/94/81/14/1377948114.db2.gz WWFJINLGGBMBNN-MSOLQXFVSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@H]1C ZINC001139767583 1377948115 /nfs/dbraw/zinc/94/81/15/1377948115.db2.gz WWFJINLGGBMBNN-MSOLQXFVSA-N 2 2 332.488 3.018 20 0 EGADLP CO[C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C[C@@H]21 ZINC001140026466 1377991769 /nfs/dbraw/zinc/99/17/69/1377991769.db2.gz YJJKBCCXDRXYOJ-KPFFTGBYSA-N 2 2 325.456 3.428 20 0 EGADLP CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C[C@@H]21 ZINC001140026466 1377991770 /nfs/dbraw/zinc/99/17/70/1377991770.db2.gz YJJKBCCXDRXYOJ-KPFFTGBYSA-N 2 2 325.456 3.428 20 0 EGADLP COCC[N@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001140436490 1378062732 /nfs/dbraw/zinc/06/27/32/1378062732.db2.gz DLOUWHXQOISEIC-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COCC[N@@H+](Cc1c[nH]c2cccc(Cl)c12)C1CC[NH+](C)CC1 ZINC001140436490 1378062734 /nfs/dbraw/zinc/06/27/34/1378062734.db2.gz DLOUWHXQOISEIC-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140590467 1378091415 /nfs/dbraw/zinc/09/14/15/1378091415.db2.gz HPOFTHPUIHMOIR-OALUTQOASA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001140788716 1378136526 /nfs/dbraw/zinc/13/65/26/1378136526.db2.gz SGQSVECGIIIXOF-UHFFFAOYSA-N 2 2 331.847 3.488 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC001140802685 1378140299 /nfs/dbraw/zinc/14/02/99/1378140299.db2.gz CKUFEXPCZGKROT-UHFFFAOYSA-N 2 2 333.395 3.026 20 0 EGADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140802224 1378140593 /nfs/dbraw/zinc/14/05/93/1378140593.db2.gz RDVZHHAZDBXOPC-UHFFFAOYSA-N 2 2 342.443 3.006 20 0 EGADLP O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801609 1378140732 /nfs/dbraw/zinc/14/07/32/1378140732.db2.gz TTXIGRLCQIMNSW-UHFFFAOYSA-N 2 2 347.422 3.455 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804997 1378144952 /nfs/dbraw/zinc/14/49/52/1378144952.db2.gz NXLYFLBGVFJYKX-DZGCQCFKSA-N 2 2 344.459 3.298 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804997 1378144954 /nfs/dbraw/zinc/14/49/54/1378144954.db2.gz NXLYFLBGVFJYKX-DZGCQCFKSA-N 2 2 344.459 3.298 20 0 EGADLP CC(=O)c1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140807057 1378147314 /nfs/dbraw/zinc/14/73/14/1378147314.db2.gz JTVRRKNIEHGYBK-UHFFFAOYSA-N 2 2 334.423 3.088 20 0 EGADLP C[NH+]1CCN(c2ccccc2C[N@@H+]2Cc3cccc(F)c3C2)CC1 ZINC001140973994 1378197345 /nfs/dbraw/zinc/19/73/45/1378197345.db2.gz UDEBRWJYEAZJHU-UHFFFAOYSA-N 2 2 325.431 3.093 20 0 EGADLP C[NH+]1CCN(c2ccccc2C[N@H+]2Cc3cccc(F)c3C2)CC1 ZINC001140973994 1378197351 /nfs/dbraw/zinc/19/73/51/1378197351.db2.gz UDEBRWJYEAZJHU-UHFFFAOYSA-N 2 2 325.431 3.093 20 0 EGADLP c1cn2ccc(C[NH+]3CCC4(CC3)OCCc3ccccc34)cc2[nH+]1 ZINC001141045822 1378218131 /nfs/dbraw/zinc/21/81/31/1378218131.db2.gz AMTHVYMAWFMKHD-UHFFFAOYSA-N 2 2 333.435 3.398 20 0 EGADLP COCC[N@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C1CC[NH+](C)CC1 ZINC001141183370 1378260442 /nfs/dbraw/zinc/26/04/42/1378260442.db2.gz CJANWQOSKUZETH-UHFFFAOYSA-N 2 2 346.515 3.333 20 0 EGADLP COCC[N@@H+](Cc1ccc2c(c1)CCC(C)(C)O2)C1CC[NH+](C)CC1 ZINC001141183370 1378260446 /nfs/dbraw/zinc/26/04/46/1378260446.db2.gz CJANWQOSKUZETH-UHFFFAOYSA-N 2 2 346.515 3.333 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@](C)(C[NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001278523017 1378279332 /nfs/dbraw/zinc/27/93/32/1378279332.db2.gz BQEKZEVEMACZFD-LREWSXEPSA-N 2 2 343.515 3.495 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001141287509 1378291877 /nfs/dbraw/zinc/29/18/77/1378291877.db2.gz GOSBVHBRWXRYSO-HNNXBMFYSA-N 2 2 346.402 3.200 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001141287509 1378291881 /nfs/dbraw/zinc/29/18/81/1378291881.db2.gz GOSBVHBRWXRYSO-HNNXBMFYSA-N 2 2 346.402 3.200 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001141611679 1378350863 /nfs/dbraw/zinc/35/08/63/1378350863.db2.gz HNUYOZLLIFHNJN-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001141611679 1378350864 /nfs/dbraw/zinc/35/08/64/1378350864.db2.gz HNUYOZLLIFHNJN-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001141611679 1378350866 /nfs/dbraw/zinc/35/08/66/1378350866.db2.gz HNUYOZLLIFHNJN-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001141611679 1378350869 /nfs/dbraw/zinc/35/08/69/1378350869.db2.gz HNUYOZLLIFHNJN-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP Clc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)nn1 ZINC001142073511 1378410693 /nfs/dbraw/zinc/41/06/93/1378410693.db2.gz RJPHBRFQRSTMLQ-UHFFFAOYSA-N 2 2 342.874 3.228 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1ccc2c(c1)C[NH+](Cc1ccccc1)C2 ZINC001142588106 1378462180 /nfs/dbraw/zinc/46/21/80/1378462180.db2.gz JOXRRRSDVXZPOB-UHFFFAOYSA-N 2 2 337.467 3.481 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)C[NH+](Cc1ccccc1)C2 ZINC001142588106 1378462182 /nfs/dbraw/zinc/46/21/82/1378462182.db2.gz JOXRRRSDVXZPOB-UHFFFAOYSA-N 2 2 337.467 3.481 20 0 EGADLP CC(C)[NH+](C)CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001142588106 1378462184 /nfs/dbraw/zinc/46/21/84/1378462184.db2.gz JOXRRRSDVXZPOB-UHFFFAOYSA-N 2 2 337.467 3.481 20 0 EGADLP CC(C)[NH+](C)CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001142588106 1378462185 /nfs/dbraw/zinc/46/21/85/1378462185.db2.gz JOXRRRSDVXZPOB-UHFFFAOYSA-N 2 2 337.467 3.481 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@@H]3C2)cc1 ZINC001142679418 1378475828 /nfs/dbraw/zinc/47/58/28/1378475828.db2.gz FPYPRDZPFHRIED-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@@H]3C2)cc1 ZINC001142679418 1378475833 /nfs/dbraw/zinc/47/58/33/1378475833.db2.gz FPYPRDZPFHRIED-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP c1cn2cc(CN3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001143022311 1378526963 /nfs/dbraw/zinc/52/69/63/1378526963.db2.gz OQGBRQMWHTUXLU-RTWAWAEBSA-N 2 2 346.478 3.431 20 0 EGADLP c1cn2cc(CN3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001143022311 1378526968 /nfs/dbraw/zinc/52/69/68/1378526968.db2.gz OQGBRQMWHTUXLU-RTWAWAEBSA-N 2 2 346.478 3.431 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc(C)c1F ZINC001143380734 1378589176 /nfs/dbraw/zinc/58/91/76/1378589176.db2.gz SIOTUWITHMSSLR-OALUTQOASA-N 2 2 339.458 3.401 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447004 1378597542 /nfs/dbraw/zinc/59/75/42/1378597542.db2.gz NFCKIUXNPSXHRS-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447004 1378597549 /nfs/dbraw/zinc/59/75/49/1378597549.db2.gz NFCKIUXNPSXHRS-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447004 1378597554 /nfs/dbraw/zinc/59/75/54/1378597554.db2.gz NFCKIUXNPSXHRS-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447004 1378597560 /nfs/dbraw/zinc/59/75/60/1378597560.db2.gz NFCKIUXNPSXHRS-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(C)cn2)CC1 ZINC001143661060 1378631503 /nfs/dbraw/zinc/63/15/03/1378631503.db2.gz OFZIMGWIRSWVTM-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(C)cn2)CC1 ZINC001143661060 1378631505 /nfs/dbraw/zinc/63/15/05/1378631505.db2.gz OFZIMGWIRSWVTM-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP C[NH+](C)CCN1CC[NH+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143804065 1378647866 /nfs/dbraw/zinc/64/78/66/1378647866.db2.gz KYEVUYZYBMVGCH-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CCC1=CCCCC1 ZINC001146712466 1378904893 /nfs/dbraw/zinc/90/48/93/1378904893.db2.gz BTTMFUYYIBKBHF-MSOLQXFVSA-N 2 2 346.519 3.427 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001283623977 1379061475 /nfs/dbraw/zinc/06/14/75/1379061475.db2.gz XUTJVWZXGIXOPT-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001283623977 1379061480 /nfs/dbraw/zinc/06/14/80/1379061480.db2.gz XUTJVWZXGIXOPT-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362682 1380064783 /nfs/dbraw/zinc/06/47/83/1380064783.db2.gz SHBLDPDWDQFUCH-OAHLLOKOSA-N 2 2 330.476 3.273 20 0 EGADLP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362682 1380064785 /nfs/dbraw/zinc/06/47/85/1380064785.db2.gz SHBLDPDWDQFUCH-OAHLLOKOSA-N 2 2 330.476 3.273 20 0 EGADLP Clc1ccc(-c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nn2)cc1 ZINC001155053014 1380399322 /nfs/dbraw/zinc/39/93/22/1380399322.db2.gz JKBCVFRAZXWNLH-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP Fc1cccc2nc(Cl)nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155057420 1380400142 /nfs/dbraw/zinc/40/01/42/1380400142.db2.gz HRKUTUDQBAQTJF-UHFFFAOYSA-N 2 2 331.782 3.075 20 0 EGADLP Cc1cc(OCc2ccccc2)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155063625 1380401195 /nfs/dbraw/zinc/40/11/95/1380401195.db2.gz UMISMATYQANYOB-UHFFFAOYSA-N 2 2 349.438 3.017 20 0 EGADLP c1[nH+]cn(-c2cccc(OCc3ccccc3)n2)c1C1CC[NH2+]CC1 ZINC001155063871 1380401697 /nfs/dbraw/zinc/40/16/97/1380401697.db2.gz HRMOMPPNHVEFHS-UHFFFAOYSA-N 2 2 334.423 3.313 20 0 EGADLP Fc1cc2ncc(Cl)nc2cc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063872 1380401719 /nfs/dbraw/zinc/40/17/19/1380401719.db2.gz HSPUALFYKDIMQZ-UHFFFAOYSA-N 2 2 331.782 3.075 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189463 1380422169 /nfs/dbraw/zinc/42/21/69/1380422169.db2.gz ONZGTFYLTHPYRD-JTUDCUDASA-N 2 2 332.492 3.013 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189463 1380422170 /nfs/dbraw/zinc/42/21/70/1380422170.db2.gz ONZGTFYLTHPYRD-JTUDCUDASA-N 2 2 332.492 3.013 20 0 EGADLP COc1ccc2[nH+]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c(C)cc2c1 ZINC001155592443 1380470975 /nfs/dbraw/zinc/47/09/75/1380470975.db2.gz PEBCZXUHMQBFQX-QRWLVFNGSA-N 2 2 341.455 3.122 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751881 1380489086 /nfs/dbraw/zinc/48/90/86/1380489086.db2.gz UINDJRQUWIIQPU-LZDOZHLXSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751881 1380489087 /nfs/dbraw/zinc/48/90/87/1380489087.db2.gz UINDJRQUWIIQPU-LZDOZHLXSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751881 1380489088 /nfs/dbraw/zinc/48/90/88/1380489088.db2.gz UINDJRQUWIIQPU-LZDOZHLXSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751881 1380489089 /nfs/dbraw/zinc/48/90/89/1380489089.db2.gz UINDJRQUWIIQPU-LZDOZHLXSA-N 2 2 334.508 3.161 20 0 EGADLP C[NH+](C)C1(CNc2nc3ccccc3cc2Cl)CC[NH+](C)CC1 ZINC001156182338 1380537481 /nfs/dbraw/zinc/53/74/81/1380537481.db2.gz QIKAUDUGMPLGOO-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CCC[NH+]1C[C@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)C[C@@H]2C1 ZINC001157689180 1381002968 /nfs/dbraw/zinc/00/29/68/1381002968.db2.gz HJSBHJKMTXAZAD-HOTGVXAUSA-N 2 2 325.456 3.330 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C)n1cc[nH+]c1 ZINC001158107501 1381130093 /nfs/dbraw/zinc/13/00/93/1381130093.db2.gz SGGIWFIOZBSMIU-MSOLQXFVSA-N 2 2 334.508 3.192 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C)n1cc[nH+]c1 ZINC001158107501 1381130096 /nfs/dbraw/zinc/13/00/96/1381130096.db2.gz SGGIWFIOZBSMIU-MSOLQXFVSA-N 2 2 334.508 3.192 20 0 EGADLP CC1(C)C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158263360 1381177328 /nfs/dbraw/zinc/17/73/28/1381177328.db2.gz BUDTUSTULQDFQI-KXBFYZLASA-N 2 2 331.508 3.423 20 0 EGADLP CC1(C)C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C[C@](C)(C[NH3+])C1 ZINC001158263360 1381177331 /nfs/dbraw/zinc/17/73/31/1381177331.db2.gz BUDTUSTULQDFQI-KXBFYZLASA-N 2 2 331.508 3.423 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001158487957 1381264884 /nfs/dbraw/zinc/26/48/84/1381264884.db2.gz GSKFCJVBDZVFIK-UHFFFAOYSA-N 2 2 345.487 3.328 20 0 EGADLP COc1cccc(CCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001328323103 1388722308 /nfs/dbraw/zinc/72/23/08/1388722308.db2.gz SWTDNPMGXJYBTC-UHFFFAOYSA-N 2 2 336.395 3.156 20 0 EGADLP Cc1cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cnc1OC(C)C ZINC001159262771 1381746770 /nfs/dbraw/zinc/74/67/70/1381746770.db2.gz YEAYGEKNBFGKBQ-UHFFFAOYSA-N 2 2 341.459 3.243 20 0 EGADLP COc1c(C)cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1C ZINC001159321296 1381761542 /nfs/dbraw/zinc/76/15/42/1381761542.db2.gz HQFWHVFXNNDLSP-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP Cc1cc[nH+]c(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1 ZINC001159626307 1381851182 /nfs/dbraw/zinc/85/11/82/1381851182.db2.gz OBDMVBZBJJNJOD-WGSAOQKQSA-N 2 2 328.504 3.141 20 0 EGADLP Cc1cc[nH+]c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001159626307 1381851185 /nfs/dbraw/zinc/85/11/85/1381851185.db2.gz OBDMVBZBJJNJOD-WGSAOQKQSA-N 2 2 328.504 3.141 20 0 EGADLP FC1(F)C[NH2+]CC[C@@H]1Oc1ccc(Nc2ccc3[nH+]ccn3c2)cc1 ZINC001160341240 1382077770 /nfs/dbraw/zinc/07/77/70/1382077770.db2.gz NCYPQWPRHGSMOT-INIZCTEOSA-N 2 2 344.365 3.454 20 0 EGADLP CCC[N@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423890 1382100039 /nfs/dbraw/zinc/10/00/39/1382100039.db2.gz YOPZGNHVMIRLFS-SFHVURJKSA-N 2 2 332.492 3.019 20 0 EGADLP CCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423890 1382100042 /nfs/dbraw/zinc/10/00/42/1382100042.db2.gz YOPZGNHVMIRLFS-SFHVURJKSA-N 2 2 332.492 3.019 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001160826485 1382210290 /nfs/dbraw/zinc/21/02/90/1382210290.db2.gz ILCSDBVWABTAOH-SFHVURJKSA-N 2 2 342.487 3.174 20 0 EGADLP CCCN(CCC)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001160869301 1382220139 /nfs/dbraw/zinc/22/01/39/1382220139.db2.gz YPXDDXAXNDMLFX-UHFFFAOYSA-N 2 2 333.520 3.332 20 0 EGADLP CCCN(CCC)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001160869301 1382220141 /nfs/dbraw/zinc/22/01/41/1382220141.db2.gz YPXDDXAXNDMLFX-UHFFFAOYSA-N 2 2 333.520 3.332 20 0 EGADLP O=C(NCCC[NH2+]Cc1ccccc1C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160992918 1382265597 /nfs/dbraw/zinc/26/55/97/1382265597.db2.gz URXQPVBECOZTNK-UHFFFAOYSA-N 2 2 348.450 3.350 20 0 EGADLP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189230 1382333624 /nfs/dbraw/zinc/33/36/24/1382333624.db2.gz FLOCNRPENLFUBU-KRWDZBQOSA-N 2 2 344.503 3.014 20 0 EGADLP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189230 1382333628 /nfs/dbraw/zinc/33/36/28/1382333628.db2.gz FLOCNRPENLFUBU-KRWDZBQOSA-N 2 2 344.503 3.014 20 0 EGADLP COc1ccccc1-n1c[nH+]c2cc(NC[C@@H]3C[C@H](F)C[NH2+]3)ccc21 ZINC001162481669 1382770198 /nfs/dbraw/zinc/77/01/98/1382770198.db2.gz UTPDNERQIJTTRG-ZFWWWQNUSA-N 2 2 340.402 3.146 20 0 EGADLP FC(F)(F)c1c[nH]c2[nH+]ccc(NC[C@@]3(F)CCCC[NH2+]C3)c12 ZINC001162582611 1382798990 /nfs/dbraw/zinc/79/89/90/1382798990.db2.gz DIFPMXVQYLBYPE-CQSZACIVSA-N 2 2 330.329 3.475 20 0 EGADLP Cn1cc(CNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001162835221 1382890536 /nfs/dbraw/zinc/89/05/36/1382890536.db2.gz SIOJTLFQROCUQA-GOSISDBHSA-N 2 2 334.467 3.323 20 0 EGADLP Cn1cc(CNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccccc21 ZINC001162835221 1382890539 /nfs/dbraw/zinc/89/05/39/1382890539.db2.gz SIOJTLFQROCUQA-GOSISDBHSA-N 2 2 334.467 3.323 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C/C=C/c2ccccc2)c(C)[nH+]1 ZINC001162910378 1382913124 /nfs/dbraw/zinc/91/31/24/1382913124.db2.gz MWMPPWLWCKDIAP-YRNVUSSQSA-N 2 2 337.467 3.430 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001162916953 1382915969 /nfs/dbraw/zinc/91/59/69/1382915969.db2.gz FUFIVTSTYMBUBW-MRXNPFEDSA-N 2 2 325.456 3.478 20 0 EGADLP CC(C)(C)CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163472959 1383059442 /nfs/dbraw/zinc/05/94/42/1383059442.db2.gz NOMZDVBZOAGONK-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001163594333 1383084506 /nfs/dbraw/zinc/08/45/06/1383084506.db2.gz WULQZORLPMNGDQ-KRWDZBQOSA-N 2 2 342.487 3.254 20 0 EGADLP Cc1nc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(C)c(C)[nH+]1 ZINC001165154010 1383238082 /nfs/dbraw/zinc/23/80/82/1383238082.db2.gz JCDWMFJYRZSPNJ-UHFFFAOYSA-N 2 2 336.483 3.429 20 0 EGADLP Cc1nc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)c(C)c(C)[nH+]1 ZINC001165154010 1383238086 /nfs/dbraw/zinc/23/80/86/1383238086.db2.gz JCDWMFJYRZSPNJ-UHFFFAOYSA-N 2 2 336.483 3.429 20 0 EGADLP Cc1[nH+]c2c(n1-c1ccc3c(Cl)ccc(F)c3n1)CC[NH2+]CC2 ZINC001165356448 1383281019 /nfs/dbraw/zinc/28/10/19/1383281019.db2.gz PXIOYOZBPBBAOK-UHFFFAOYSA-N 2 2 330.794 3.210 20 0 EGADLP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165638465 1383318630 /nfs/dbraw/zinc/31/86/30/1383318630.db2.gz SKIAJIMZYVCJES-ROUUACIJSA-N 2 2 348.535 3.393 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165749969 1383338594 /nfs/dbraw/zinc/33/85/94/1383338594.db2.gz MQRHUHDUMAUUJG-CQSZACIVSA-N 2 2 328.460 3.099 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138317 1383394493 /nfs/dbraw/zinc/39/44/93/1383394493.db2.gz JWTBGFUIYCNJSC-UHFFFAOYSA-N 2 2 342.487 3.404 20 0 EGADLP CC(C)=CC[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166293839 1383409706 /nfs/dbraw/zinc/40/97/06/1383409706.db2.gz DUDRYSLEZKNCIS-UHFFFAOYSA-N 2 2 329.488 3.463 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001167429049 1383631879 /nfs/dbraw/zinc/63/18/79/1383631879.db2.gz PPUMLDIDITYKTO-ROUUACIJSA-N 2 2 342.487 3.308 20 0 EGADLP Cc1[nH+]c(N)ccc1CNc1c(Br)c[nH+]c2ccccc21 ZINC001167785767 1383740899 /nfs/dbraw/zinc/74/08/99/1383740899.db2.gz DCYHRATXDDQXQJ-UHFFFAOYSA-N 2 2 343.228 3.317 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001167835569 1383754080 /nfs/dbraw/zinc/75/40/80/1383754080.db2.gz RHXHZIPTZPFUTG-GOSISDBHSA-N 3 2 332.536 3.459 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001167977828 1383785526 /nfs/dbraw/zinc/78/55/26/1383785526.db2.gz KEXWHZOUIVTKSC-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001167977828 1383785527 /nfs/dbraw/zinc/78/55/27/1383785527.db2.gz KEXWHZOUIVTKSC-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccnc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034711 1383801034 /nfs/dbraw/zinc/80/10/34/1383801034.db2.gz QTJSKCQRFIDTBV-JWWGGVBKSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccnc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034711 1383801036 /nfs/dbraw/zinc/80/10/36/1383801036.db2.gz QTJSKCQRFIDTBV-JWWGGVBKSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1CC([N@H+](C)Cc2cnn(C)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039333 1383802156 /nfs/dbraw/zinc/80/21/56/1383802156.db2.gz DJGNOOFHHWZIHJ-IAGOWNOFSA-N 2 2 326.488 3.294 20 0 EGADLP C[C@@H]1CC([N@@H+](C)Cc2cnn(C)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039333 1383802159 /nfs/dbraw/zinc/80/21/59/1383802159.db2.gz DJGNOOFHHWZIHJ-IAGOWNOFSA-N 2 2 326.488 3.294 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168043178 1383803491 /nfs/dbraw/zinc/80/34/91/1383803491.db2.gz BFASYCLVFCALLD-XGHQBKJUSA-N 2 2 344.499 3.456 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@H+]1C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168043178 1383803493 /nfs/dbraw/zinc/80/34/93/1383803493.db2.gz BFASYCLVFCALLD-XGHQBKJUSA-N 2 2 344.499 3.456 20 0 EGADLP C[C@H]1CC(N2CC([N@@H+]3CC[C@H](F)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064306 1383808419 /nfs/dbraw/zinc/80/84/19/1383808419.db2.gz PYFFETNWCQVMNN-LNLFQRSKSA-N 2 2 345.506 3.156 20 0 EGADLP C[C@H]1CC(N2CC([N@H+]3CC[C@H](F)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064306 1383808424 /nfs/dbraw/zinc/80/84/24/1383808424.db2.gz PYFFETNWCQVMNN-LNLFQRSKSA-N 2 2 345.506 3.156 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)C2 ZINC001168242325 1383852262 /nfs/dbraw/zinc/85/22/62/1383852262.db2.gz YIXARNRUCKTXQG-LJQANCHMSA-N 2 2 337.467 3.064 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001328835677 1388884614 /nfs/dbraw/zinc/88/46/14/1388884614.db2.gz XPAKDIKJIWWGJC-KFKAGJAMSA-N 2 2 330.391 3.100 20 0 EGADLP FC1(F)CN(C2CC[NH+](CC3CC3)CC2)CC[C@H]1[NH+]1CCCCC1 ZINC001168394748 1383894427 /nfs/dbraw/zinc/89/44/27/1383894427.db2.gz FWABDIKDFMVNMO-GOSISDBHSA-N 2 2 341.490 3.056 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168462804 1383912526 /nfs/dbraw/zinc/91/25/26/1383912526.db2.gz GLSQDIRMRDGRJR-SFHVURJKSA-N 2 2 348.535 3.222 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168463109 1383912700 /nfs/dbraw/zinc/91/27/00/1383912700.db2.gz NAYNKICGLJDJST-SNAWJCMRSA-N 2 2 346.519 3.286 20 0 EGADLP CCc1cc(NCC2([NH+]3CCCCC3)CCOCC2)nc(CC)[nH+]1 ZINC001306976169 1383928637 /nfs/dbraw/zinc/92/86/37/1383928637.db2.gz KKRHOHJEEQQXBY-UHFFFAOYSA-N 2 2 332.492 3.048 20 0 EGADLP Cc1c(Cl)cc(Br)cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737452 1383985592 /nfs/dbraw/zinc/98/55/92/1383985592.db2.gz XWUXWSGITLZYBP-UHFFFAOYSA-N 2 2 345.672 3.005 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ccc(-c4ccccc4)nc3c2)CC1 ZINC001168737418 1383985830 /nfs/dbraw/zinc/98/58/30/1383985830.db2.gz VSYAKCNTASRWRE-UHFFFAOYSA-N 2 2 345.450 3.496 20 0 EGADLP COC(=O)C1(C)CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001168774910 1384000279 /nfs/dbraw/zinc/00/02/79/1384000279.db2.gz MQVAHDDSADYANF-UHFFFAOYSA-N 2 2 332.444 3.047 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN1CCC(Cc3ccccc3)CC1)C2 ZINC001169077889 1384103322 /nfs/dbraw/zinc/10/33/22/1384103322.db2.gz BGDHVTCOZURZBY-KOUNCHBCSA-N 2 2 341.543 3.156 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN1CCC(Cc3ccccc3)CC1)C2 ZINC001169077889 1384103324 /nfs/dbraw/zinc/10/33/24/1384103324.db2.gz BGDHVTCOZURZBY-KOUNCHBCSA-N 2 2 341.543 3.156 20 0 EGADLP Cc1ccc2[nH+]cc(CNc3ccccc3N3CC[NH+](C)CC3)n2c1 ZINC001308359723 1384121532 /nfs/dbraw/zinc/12/15/32/1384121532.db2.gz HVINDWSWUPOUSC-UHFFFAOYSA-N 2 2 335.455 3.007 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)cc(OC)c2OC)CC1 ZINC001169238718 1384125883 /nfs/dbraw/zinc/12/58/83/1384125883.db2.gz LPONIQJURSHBBW-GFCCVEGCSA-N 2 2 326.868 3.492 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)CC1 ZINC001169256014 1384127996 /nfs/dbraw/zinc/12/79/96/1384127996.db2.gz XPOWTLVHWQNLOD-UHFFFAOYSA-N 2 2 340.471 3.400 20 0 EGADLP Cc1[nH+]cn(C2CCC(OC(=O)c3ccccc3)CC2)c1CC[NH3+] ZINC001169272266 1384130635 /nfs/dbraw/zinc/13/06/35/1384130635.db2.gz NFZLXBAVFASTJI-UHFFFAOYSA-N 2 2 327.428 3.033 20 0 EGADLP CCn1cnc(Cl)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001308744483 1384146832 /nfs/dbraw/zinc/14/68/32/1384146832.db2.gz HHJUDQKAIMSHFS-UHFFFAOYSA-N 2 2 335.883 3.445 20 0 EGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787119 1384186050 /nfs/dbraw/zinc/18/60/50/1384186050.db2.gz CRSBFCPFVDMKEP-HXUWFJFHSA-N 2 2 343.515 3.096 20 0 EGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787119 1384186052 /nfs/dbraw/zinc/18/60/52/1384186052.db2.gz CRSBFCPFVDMKEP-HXUWFJFHSA-N 2 2 343.515 3.096 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001170011299 1384217751 /nfs/dbraw/zinc/21/77/51/1384217751.db2.gz NKLOSBXQSQOULS-MRXNPFEDSA-N 2 2 333.476 3.254 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CC(C)(C)N(O)C(C)(C)C2)C1 ZINC001170011299 1384217752 /nfs/dbraw/zinc/21/77/52/1384217752.db2.gz NKLOSBXQSQOULS-MRXNPFEDSA-N 2 2 333.476 3.254 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001170425562 1384315794 /nfs/dbraw/zinc/31/57/94/1384315794.db2.gz QTPXLPXEJRGCNR-MSOLQXFVSA-N 2 2 330.472 3.200 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001170425562 1384315800 /nfs/dbraw/zinc/31/58/00/1384315800.db2.gz QTPXLPXEJRGCNR-MSOLQXFVSA-N 2 2 330.472 3.200 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001170426510 1384315858 /nfs/dbraw/zinc/31/58/58/1384315858.db2.gz UCYVTYUWVDARMZ-SJORKVTESA-N 2 2 332.488 3.446 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001170426510 1384315861 /nfs/dbraw/zinc/31/58/61/1384315861.db2.gz UCYVTYUWVDARMZ-SJORKVTESA-N 2 2 332.488 3.446 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471647 1384326256 /nfs/dbraw/zinc/32/62/56/1384326256.db2.gz FFLWAEMMIBTEMW-FUTAKVPZSA-N 2 2 334.508 3.353 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001170524712 1384335472 /nfs/dbraw/zinc/33/54/72/1384335472.db2.gz NUBMLWYHZHSRTM-DNVCBOLYSA-N 2 2 348.462 3.030 20 0 EGADLP CC1(C)[C@@H]2C[C@@H](N(c3cccc[nH+]3)[C@H]3COC4(C3)CC[NH2+]CC4)C[C@@H]21 ZINC001170749453 1384377619 /nfs/dbraw/zinc/37/76/19/1384377619.db2.gz FIANYDDPMOWHGX-TVFCKZIOSA-N 2 2 341.499 3.234 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl)ccn12 ZINC001170784993 1384384754 /nfs/dbraw/zinc/38/47/54/1384384754.db2.gz LGHUGRCOVOBCBC-PODYEWJSSA-N 2 2 348.878 3.273 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170894762 1384406879 /nfs/dbraw/zinc/40/68/79/1384406879.db2.gz NBYXOYFJNWUCCB-DLBZAZTESA-N 2 2 348.535 3.073 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170894074 1384407198 /nfs/dbraw/zinc/40/71/98/1384407198.db2.gz HOMVAWIFHXVSON-KRWDZBQOSA-N 2 2 348.535 3.217 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001171151777 1384455639 /nfs/dbraw/zinc/45/56/39/1384455639.db2.gz KGZRKLNHGFRRON-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001171151777 1384455641 /nfs/dbraw/zinc/45/56/41/1384455641.db2.gz KGZRKLNHGFRRON-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475717 1384534104 /nfs/dbraw/zinc/53/41/04/1384534104.db2.gz MWLFQAJAPOPEST-JKSUJKDBSA-N 2 2 336.524 3.237 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171576493 1384568611 /nfs/dbraw/zinc/56/86/11/1384568611.db2.gz AGAZRHBSQYAPSH-JDTHPWDHSA-N 2 2 346.519 3.066 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171597408 1384574916 /nfs/dbraw/zinc/57/49/16/1384574916.db2.gz YHVYBYWREIBMGT-JDTHPWDHSA-N 2 2 346.519 3.066 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171603846 1384576390 /nfs/dbraw/zinc/57/63/90/1384576390.db2.gz CSRUUAVXAUNCGR-DLBZAZTESA-N 2 2 348.535 3.146 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171607121 1384577862 /nfs/dbraw/zinc/57/78/62/1384577862.db2.gz ZJMSTWQZJQYITR-FUHWJXTLSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1(C)C ZINC001171623575 1384583037 /nfs/dbraw/zinc/58/30/37/1384583037.db2.gz CRFJBTFJWMGRBG-PMOLBWCYSA-N 3 2 341.543 3.358 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1(C)C ZINC001171623575 1384583041 /nfs/dbraw/zinc/58/30/41/1384583041.db2.gz CRFJBTFJWMGRBG-PMOLBWCYSA-N 3 2 341.543 3.358 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cc(OC3CCC3)ncn2)CC1(C)C ZINC001171627198 1384585202 /nfs/dbraw/zinc/58/52/02/1384585202.db2.gz NFQXXCLKVYVDFK-UHFFFAOYSA-N 2 2 332.492 3.149 20 0 EGADLP COC(=O)c1cccc2c1C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171643460 1384590575 /nfs/dbraw/zinc/59/05/75/1384590575.db2.gz UDLNEJKIBWKXHX-UHFFFAOYSA-N 2 2 344.499 3.483 20 0 EGADLP COC(=O)c1cccc2c1C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171643460 1384590579 /nfs/dbraw/zinc/59/05/79/1384590579.db2.gz UDLNEJKIBWKXHX-UHFFFAOYSA-N 2 2 344.499 3.483 20 0 EGADLP C[C@H]1C[C@H](NC(=[NH2+])c2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001171732838 1384617856 /nfs/dbraw/zinc/61/78/56/1384617856.db2.gz GCNGZMSAYRRPCO-ZFWWWQNUSA-N 2 2 328.847 3.313 20 0 EGADLP C[C@H]1C[C@H](NC(=[NH2+])c2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC001171732838 1384617857 /nfs/dbraw/zinc/61/78/57/1384617857.db2.gz GCNGZMSAYRRPCO-ZFWWWQNUSA-N 2 2 328.847 3.313 20 0 EGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171787554 1384636658 /nfs/dbraw/zinc/63/66/58/1384636658.db2.gz KOUQZQAEXATACM-BRWVUGGUSA-N 2 2 325.431 3.464 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCCC[NH2+]CCC[C@@H](C)O)c(C)[nH+]1 ZINC001171859552 1384662784 /nfs/dbraw/zinc/66/27/84/1384662784.db2.gz GIPZJPDTRCXAKD-DOTOQJQBSA-N 2 2 349.519 3.046 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698786 /nfs/dbraw/zinc/69/87/86/1384698786.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698789 /nfs/dbraw/zinc/69/87/89/1384698789.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698791 /nfs/dbraw/zinc/69/87/91/1384698791.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969195 1384698793 /nfs/dbraw/zinc/69/87/93/1384698793.db2.gz UJMIUHPKWRTCRR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702378 /nfs/dbraw/zinc/70/23/78/1384702378.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702386 /nfs/dbraw/zinc/70/23/86/1384702386.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702389 /nfs/dbraw/zinc/70/23/89/1384702389.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977920 1384702393 /nfs/dbraw/zinc/70/23/93/1384702393.db2.gz UWUCDDYLCXRHOF-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103601 1384726787 /nfs/dbraw/zinc/72/67/87/1384726787.db2.gz WFUHTWDTNKGTQY-BURNTYAHSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103601 1384726788 /nfs/dbraw/zinc/72/67/88/1384726788.db2.gz WFUHTWDTNKGTQY-BURNTYAHSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103601 1384726789 /nfs/dbraw/zinc/72/67/89/1384726789.db2.gz WFUHTWDTNKGTQY-BURNTYAHSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103601 1384726792 /nfs/dbraw/zinc/72/67/92/1384726792.db2.gz WFUHTWDTNKGTQY-BURNTYAHSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172103601 1384726795 /nfs/dbraw/zinc/72/67/95/1384726795.db2.gz WFUHTWDTNKGTQY-BURNTYAHSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172103601 1384726797 /nfs/dbraw/zinc/72/67/97/1384726797.db2.gz WFUHTWDTNKGTQY-BURNTYAHSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)Cc1cccnc1)C2 ZINC001172120381 1384733492 /nfs/dbraw/zinc/73/34/92/1384733492.db2.gz FCOSEEIBOCVJTL-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)Cc1cccnc1)C2 ZINC001172120381 1384733493 /nfs/dbraw/zinc/73/34/93/1384733493.db2.gz FCOSEEIBOCVJTL-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC001172145510 1384739117 /nfs/dbraw/zinc/73/91/17/1384739117.db2.gz GTGZQEYYPIJQNM-UGESXGAOSA-N 2 2 349.478 3.171 20 0 EGADLP CC1(C)CC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655859 1384826782 /nfs/dbraw/zinc/82/67/82/1384826782.db2.gz BZUQZCPRCHHVEI-CALCHBBNSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655859 1384826787 /nfs/dbraw/zinc/82/67/87/1384826787.db2.gz BZUQZCPRCHHVEI-CALCHBBNSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655859 1384826791 /nfs/dbraw/zinc/82/67/91/1384826791.db2.gz BZUQZCPRCHHVEI-CALCHBBNSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655859 1384826810 /nfs/dbraw/zinc/82/68/10/1384826810.db2.gz BZUQZCPRCHHVEI-CALCHBBNSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655863 1384827796 /nfs/dbraw/zinc/82/77/96/1384827796.db2.gz BZUQZCPRCHHVEI-IRXDYDNUSA-N 2 2 343.515 3.181 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172753125 1384844476 /nfs/dbraw/zinc/84/44/76/1384844476.db2.gz ROPRGFUZHRQNTO-OAHLLOKOSA-N 2 2 336.451 3.196 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809812 1384857743 /nfs/dbraw/zinc/85/77/43/1384857743.db2.gz ZUDGYTLOPDFRGB-MSOLQXFVSA-N 2 2 341.455 3.426 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809812 1384857747 /nfs/dbraw/zinc/85/77/47/1384857747.db2.gz ZUDGYTLOPDFRGB-MSOLQXFVSA-N 2 2 341.455 3.426 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869457 1384868992 /nfs/dbraw/zinc/86/89/92/1384868992.db2.gz ZTTUMUGOCQSGGI-DHSIGJKJSA-N 2 2 340.870 3.063 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869457 1384868996 /nfs/dbraw/zinc/86/89/96/1384868996.db2.gz ZTTUMUGOCQSGGI-DHSIGJKJSA-N 2 2 340.870 3.063 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869457 1384869002 /nfs/dbraw/zinc/86/90/02/1384869002.db2.gz ZTTUMUGOCQSGGI-DHSIGJKJSA-N 2 2 340.870 3.063 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001172869457 1384869004 /nfs/dbraw/zinc/86/90/04/1384869004.db2.gz ZTTUMUGOCQSGGI-DHSIGJKJSA-N 2 2 340.870 3.063 20 0 EGADLP Cc1[nH+]cn([C@H](C)Cc2ccc(OC(F)(F)F)cc2)c1CC[NH3+] ZINC001173082469 1384910357 /nfs/dbraw/zinc/91/03/57/1384910357.db2.gz MMZCDYIFMDNEDH-LLVKDONJSA-N 2 2 327.350 3.395 20 0 EGADLP CC[NH+](CC)C1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001173113965 1384917960 /nfs/dbraw/zinc/91/79/60/1384917960.db2.gz QBKKTRUHUZQHKQ-UHFFFAOYSA-N 3 2 348.510 3.432 20 0 EGADLP CC[NH+](CC)C1CCC(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001173117764 1384918565 /nfs/dbraw/zinc/91/85/65/1384918565.db2.gz XEATYGZQAMOFJT-ABHNRTSZSA-N 2 2 343.506 3.445 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173117764 1384918569 /nfs/dbraw/zinc/91/85/69/1384918569.db2.gz XEATYGZQAMOFJT-ABHNRTSZSA-N 2 2 343.506 3.445 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173117764 1384918570 /nfs/dbraw/zinc/91/85/70/1384918570.db2.gz XEATYGZQAMOFJT-ABHNRTSZSA-N 2 2 343.506 3.445 20 0 EGADLP CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001173260867 1384946577 /nfs/dbraw/zinc/94/65/77/1384946577.db2.gz OUPSQEDTUSUOJS-IEBWSBKVSA-N 2 2 332.488 3.066 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001317186921 1384961743 /nfs/dbraw/zinc/96/17/43/1384961743.db2.gz DBKPQCFDECIQGP-KRWDZBQOSA-N 2 2 342.487 3.499 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001173633097 1384992764 /nfs/dbraw/zinc/99/27/64/1384992764.db2.gz PAMXKFQTJXQXOK-YOEHRIQHSA-N 2 2 327.428 3.303 20 0 EGADLP C[C@@H]1CC([N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173679621 1385002920 /nfs/dbraw/zinc/00/29/20/1385002920.db2.gz IWPBLZYUGOTEFQ-HUUCEWRRSA-N 2 2 339.524 3.189 20 0 EGADLP C[C@@H]1CC([N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173679621 1385002925 /nfs/dbraw/zinc/00/29/25/1385002925.db2.gz IWPBLZYUGOTEFQ-HUUCEWRRSA-N 2 2 339.524 3.189 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001317407335 1385119454 /nfs/dbraw/zinc/11/94/54/1385119454.db2.gz DKAVTYVDSFBPMQ-HZPDHXFCSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001174581606 1385122350 /nfs/dbraw/zinc/12/23/50/1385122350.db2.gz VAEBEKFBTHXPHY-ZWKOTPCHSA-N 2 2 342.487 3.299 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC001317486951 1385184548 /nfs/dbraw/zinc/18/45/48/1385184548.db2.gz LHPQYJOITTXDEF-QGZVFWFLSA-N 2 2 348.535 3.489 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC001317486951 1385184551 /nfs/dbraw/zinc/18/45/51/1385184551.db2.gz LHPQYJOITTXDEF-QGZVFWFLSA-N 2 2 348.535 3.489 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209358 1385220197 /nfs/dbraw/zinc/22/01/97/1385220197.db2.gz IVIJUTYJNYEDJZ-JKSUJKDBSA-N 2 2 334.508 3.140 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175208372 1385220288 /nfs/dbraw/zinc/22/02/88/1385220288.db2.gz CZWFZOXXLVGBBV-HOTGVXAUSA-N 2 2 334.508 3.284 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463101 1385299395 /nfs/dbraw/zinc/29/93/95/1385299395.db2.gz XPRSGIIWRZZIEA-GJZGRUSLSA-N 2 2 346.450 3.117 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479718 1385306656 /nfs/dbraw/zinc/30/66/56/1385306656.db2.gz SNTZSFSGYWNGQV-IRXDYDNUSA-N 2 2 342.487 3.286 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175881874 1385428766 /nfs/dbraw/zinc/42/87/66/1385428766.db2.gz YTLSPIINQZDODM-IRXDYDNUSA-N 2 2 342.487 3.286 20 0 EGADLP C[NH+](C)CCCOc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC001176352583 1385560578 /nfs/dbraw/zinc/56/05/78/1385560578.db2.gz OPXLRZBQXPJOEQ-UHFFFAOYSA-N 2 2 341.459 3.151 20 0 EGADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001317902535 1385566032 /nfs/dbraw/zinc/56/60/32/1385566032.db2.gz FWXILXSRGZEPES-HXUWFJFHSA-N 2 2 348.531 3.158 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cn1cc[nH+]c1 ZINC001176824254 1385714898 /nfs/dbraw/zinc/71/48/98/1385714898.db2.gz BOWLGAYFCPXVGR-QGZVFWFLSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001698615967 1406248696 /nfs/dbraw/zinc/24/86/96/1406248696.db2.gz ILCJYANKBKSLMO-IAGOWNOFSA-N 2 2 346.450 3.035 20 0 EGADLP CCCCN(C(=O)[C@H](C)n1cc[nH+]c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001318683097 1385837648 /nfs/dbraw/zinc/83/76/48/1385837648.db2.gz FVKGSDKKCSDSFR-HNNXBMFYSA-N 2 2 334.508 3.382 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]CCC1CCCCCC1 ZINC001177351477 1385924979 /nfs/dbraw/zinc/92/49/79/1385924979.db2.gz DNTKFMJOLOGKBD-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1c(F)cccc1F ZINC001319053426 1385947557 /nfs/dbraw/zinc/94/75/57/1385947557.db2.gz PGCPRVXWYQVVGJ-UHFFFAOYSA-N 2 2 328.322 3.035 20 0 EGADLP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431424 1385954770 /nfs/dbraw/zinc/95/47/70/1385954770.db2.gz YSULPZQBJOMUPQ-KRWDZBQOSA-N 2 2 334.508 3.241 20 0 EGADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001177510564 1385981824 /nfs/dbraw/zinc/98/18/24/1385981824.db2.gz IZMHLBRLMFHBFW-RBUKOAKNSA-N 2 2 346.515 3.314 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC001178170047 1386148457 /nfs/dbraw/zinc/14/84/57/1386148457.db2.gz IAFWBKJGPNWJHD-UHFFFAOYSA-N 2 2 337.370 3.047 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001178349884 1386194520 /nfs/dbraw/zinc/19/45/20/1386194520.db2.gz LOPIVTRVIRBSBB-KRWDZBQOSA-N 2 2 342.487 3.370 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCC[NH2+]CCC3CC3)ccn12 ZINC001178483677 1386230968 /nfs/dbraw/zinc/23/09/68/1386230968.db2.gz HMCFEVRFONJBIF-UHFFFAOYSA-N 2 2 342.487 3.323 20 0 EGADLP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649634 1386268716 /nfs/dbraw/zinc/26/87/16/1386268716.db2.gz RLZJAZZESZVUEJ-UHFFFAOYSA-N 2 2 336.524 3.435 20 0 EGADLP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649634 1386268721 /nfs/dbraw/zinc/26/87/21/1386268721.db2.gz RLZJAZZESZVUEJ-UHFFFAOYSA-N 2 2 336.524 3.435 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752191 1386294239 /nfs/dbraw/zinc/29/42/39/1386294239.db2.gz JWOMIYAARNIAMP-NMBNSIPYSA-N 2 2 332.492 3.136 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752191 1386294242 /nfs/dbraw/zinc/29/42/42/1386294242.db2.gz JWOMIYAARNIAMP-NMBNSIPYSA-N 2 2 332.492 3.136 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001178828750 1386320217 /nfs/dbraw/zinc/32/02/17/1386320217.db2.gz ZJUHDMDHNMGNCN-UHFFFAOYSA-N 2 2 328.460 3.243 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178864165 1386332418 /nfs/dbraw/zinc/33/24/18/1386332418.db2.gz DKHQPDXADSBJGL-GOSISDBHSA-N 2 2 348.535 3.292 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178865643 1386333177 /nfs/dbraw/zinc/33/31/77/1386333177.db2.gz QIYGKAFQPDRTBG-KRWDZBQOSA-N 2 2 348.535 3.148 20 0 EGADLP COCCCC[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001179085257 1386396103 /nfs/dbraw/zinc/39/61/03/1386396103.db2.gz VOGDPWDDTWTODC-UHFFFAOYSA-N 2 2 349.519 3.313 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179629898 1386535340 /nfs/dbraw/zinc/53/53/40/1386535340.db2.gz DCCDFLWCKAYNLI-QZTJIDSGSA-N 2 2 348.535 3.226 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1F ZINC001179693136 1386556132 /nfs/dbraw/zinc/55/61/32/1386556132.db2.gz PZYLBFONCXJPJQ-HNNXBMFYSA-N 2 2 346.450 3.119 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902547 1386622373 /nfs/dbraw/zinc/62/23/73/1386622373.db2.gz MFLIJPBKMPZYIM-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]Cc1cccc(Cl)c1 ZINC001179902820 1386623124 /nfs/dbraw/zinc/62/31/24/1386623124.db2.gz SNCGFXHRTOBGAB-UHFFFAOYSA-N 2 2 348.878 3.072 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]Cc1ccc(C)cc1 ZINC001180155410 1386716114 /nfs/dbraw/zinc/71/61/14/1386716114.db2.gz ZEWCTIRPSINFDB-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP CC[C@H]([NH2+]CCN(CC)C(=O)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001320854017 1386739068 /nfs/dbraw/zinc/73/90/68/1386739068.db2.gz GXCWKHNCIFYFCZ-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180451770 1386801314 /nfs/dbraw/zinc/80/13/14/1386801314.db2.gz ISBGXYBHCICNIY-UHFFFAOYSA-N 2 2 336.524 3.366 20 0 EGADLP Cn1cc(-c2ccc(C[NH2+]CCCCNc3cccc[nH+]3)cc2)cn1 ZINC001321100831 1386809208 /nfs/dbraw/zinc/80/92/08/1386809208.db2.gz PQNZONZKIDPHFJ-UHFFFAOYSA-N 2 2 335.455 3.464 20 0 EGADLP CCCCC[N@H+](C)CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001181864953 1387065284 /nfs/dbraw/zinc/06/52/84/1387065284.db2.gz LJNMSMPJPGPYRI-UHFFFAOYSA-N 2 2 328.460 3.382 20 0 EGADLP CCCCC[N@@H+](C)CCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001181864953 1387065288 /nfs/dbraw/zinc/06/52/88/1387065288.db2.gz LJNMSMPJPGPYRI-UHFFFAOYSA-N 2 2 328.460 3.382 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001322159558 1387081795 /nfs/dbraw/zinc/08/17/95/1387081795.db2.gz YFBQCRVOUXOMMK-DYESRHJHSA-N 2 2 344.418 3.418 20 0 EGADLP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001322220157 1387107151 /nfs/dbraw/zinc/10/71/51/1387107151.db2.gz ZSUUTAPKCFFIGS-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001322220157 1387107153 /nfs/dbraw/zinc/10/71/53/1387107153.db2.gz ZSUUTAPKCFFIGS-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309110 1387144271 /nfs/dbraw/zinc/14/42/71/1387144271.db2.gz NAFVUIZTHMWDBO-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309110 1387144274 /nfs/dbraw/zinc/14/42/74/1387144274.db2.gz NAFVUIZTHMWDBO-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP CCn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC001336685788 1389134664 /nfs/dbraw/zinc/13/46/64/1389134664.db2.gz KGSWCNBBXXUQKP-UHFFFAOYSA-N 2 2 326.488 3.308 20 0 EGADLP CCn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC001336685788 1389134669 /nfs/dbraw/zinc/13/46/69/1389134669.db2.gz KGSWCNBBXXUQKP-UHFFFAOYSA-N 2 2 326.488 3.308 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(O)c1F ZINC001332231194 1390058009 /nfs/dbraw/zinc/05/80/09/1390058009.db2.gz HYENMIUUMKDIME-OAHLLOKOSA-N 2 2 343.446 3.134 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC001332613427 1390140958 /nfs/dbraw/zinc/14/09/58/1390140958.db2.gz YVTRPMGFJOYZBY-CQSZACIVSA-N 2 2 347.434 3.031 20 0 EGADLP COc1cc(F)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC001332613427 1390140960 /nfs/dbraw/zinc/14/09/60/1390140960.db2.gz YVTRPMGFJOYZBY-CQSZACIVSA-N 2 2 347.434 3.031 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001332907113 1390214582 /nfs/dbraw/zinc/21/45/82/1390214582.db2.gz GFAISZMJEBTTSO-GOSISDBHSA-N 2 2 348.535 3.364 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC001332966224 1390225984 /nfs/dbraw/zinc/22/59/84/1390225984.db2.gz WZXULGOZHNJOIY-IYBDPMFKSA-N 2 2 347.503 3.013 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC[NH2+]C(C)(C)C)C[C@H](C)O1 ZINC001332966224 1390225986 /nfs/dbraw/zinc/22/59/86/1390225986.db2.gz WZXULGOZHNJOIY-IYBDPMFKSA-N 2 2 347.503 3.013 20 0 EGADLP C[C@H]1Cc2cc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219054 1390500712 /nfs/dbraw/zinc/50/07/12/1390500712.db2.gz YOQXSTPCEQFQGW-HOTGVXAUSA-N 2 2 325.456 3.198 20 0 EGADLP C[C@H]1Cc2cc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219054 1390500713 /nfs/dbraw/zinc/50/07/13/1390500713.db2.gz YOQXSTPCEQFQGW-HOTGVXAUSA-N 2 2 325.456 3.198 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)nc1 ZINC001335466737 1390687772 /nfs/dbraw/zinc/68/77/72/1390687772.db2.gz PUOFTSDEEGAZGN-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001348973683 1391291018 /nfs/dbraw/zinc/29/10/18/1391291018.db2.gz VYEZAJQYXJQJPL-GOSISDBHSA-N 2 2 334.410 3.207 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001348973683 1391291022 /nfs/dbraw/zinc/29/10/22/1391291022.db2.gz VYEZAJQYXJQJPL-GOSISDBHSA-N 2 2 334.410 3.207 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC1CCCC1 ZINC001479832123 1392418769 /nfs/dbraw/zinc/41/87/69/1392418769.db2.gz GNURVCALOOGTDG-APWZRJJASA-N 2 2 346.519 3.200 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001480486337 1392767009 /nfs/dbraw/zinc/76/70/09/1392767009.db2.gz KIPZAMXJJODLDJ-OLZOCXBDSA-N 2 2 340.402 3.171 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001481262545 1393154826 /nfs/dbraw/zinc/15/48/26/1393154826.db2.gz BPMBXHBXEHXIIK-QGZVFWFLSA-N 2 2 348.450 3.295 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001490618292 1394285463 /nfs/dbraw/zinc/28/54/63/1394285463.db2.gz JSYNNXJBBGPPKK-QGZVFWFLSA-N 2 2 348.535 3.337 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C/c1ccccc1 ZINC001481824179 1394546764 /nfs/dbraw/zinc/54/67/64/1394546764.db2.gz PZAASSSXPAMVPI-AHKGRUIUSA-N 2 2 348.450 3.374 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+](C)CCCC3CCC3)ccn12 ZINC001485304756 1395783187 /nfs/dbraw/zinc/78/31/87/1395783187.db2.gz ZSYZQXADDKNZLY-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+](C)CCCC3CCC3)ccn12 ZINC001485304756 1395783194 /nfs/dbraw/zinc/78/31/94/1395783194.db2.gz ZSYZQXADDKNZLY-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CCC1CCCCCC1 ZINC001485336130 1395809324 /nfs/dbraw/zinc/80/93/24/1395809324.db2.gz ZZPRZCDSWWGNRE-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CCC1CCCCCC1 ZINC001485336130 1395809337 /nfs/dbraw/zinc/80/93/37/1395809337.db2.gz ZZPRZCDSWWGNRE-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CCC1CCCCCC1 ZINC001485336129 1395809987 /nfs/dbraw/zinc/80/99/87/1395809987.db2.gz ZZPRZCDSWWGNRE-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CCC1CCCCCC1 ZINC001485336129 1395809993 /nfs/dbraw/zinc/80/99/93/1395809993.db2.gz ZZPRZCDSWWGNRE-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001698997576 1406798526 /nfs/dbraw/zinc/79/85/26/1406798526.db2.gz RUYQKBSPYAPZLL-GOSISDBHSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001698997576 1406798527 /nfs/dbraw/zinc/79/85/27/1406798527.db2.gz RUYQKBSPYAPZLL-GOSISDBHSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)cc2C)c(C)[nH+]1 ZINC001690604818 1404648444 /nfs/dbraw/zinc/64/84/44/1404648444.db2.gz RKHMTNIMXVSJFC-OAHLLOKOSA-N 2 2 343.446 3.362 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001732134353 1428380393 /nfs/dbraw/zinc/38/03/93/1428380393.db2.gz PEZFCKOVQPUIMJ-APWZRJJASA-N 2 2 340.471 3.034 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699207592 1412574227 /nfs/dbraw/zinc/57/42/27/1412574227.db2.gz TVQLMGDBOQQINU-HOTGVXAUSA-N 2 2 346.450 3.173 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001700900540 1414555954 /nfs/dbraw/zinc/55/59/54/1414555954.db2.gz JLSVWECWPGVUGY-DLBZAZTESA-N 2 2 342.487 3.259 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1ccccc1F ZINC001713319558 1417944615 /nfs/dbraw/zinc/94/46/15/1417944615.db2.gz COJASNNKVHBDBP-STQMWFEESA-N 2 2 340.402 3.171 20 0 EGADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccc(Cl)cc1 ZINC001714993249 1419725251 /nfs/dbraw/zinc/72/52/51/1419725251.db2.gz TWOVICMPLKSNIG-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)c1ccc(Cl)cc1 ZINC001714993249 1419725252 /nfs/dbraw/zinc/72/52/52/1419725252.db2.gz TWOVICMPLKSNIG-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccc(Cl)cc1 ZINC001714993249 1419725254 /nfs/dbraw/zinc/72/52/54/1419725254.db2.gz TWOVICMPLKSNIG-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccc(Cl)cc1 ZINC001714993249 1419725256 /nfs/dbraw/zinc/72/52/56/1419725256.db2.gz TWOVICMPLKSNIG-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@@](C[NH2+]CC1CCC(C)(C)CC1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001715121508 1419866492 /nfs/dbraw/zinc/86/64/92/1419866492.db2.gz UXWSFHILGDWJRC-FQEVSTJZSA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CCCC1 ZINC001715498525 1420180363 /nfs/dbraw/zinc/18/03/63/1420180363.db2.gz RZSFROQPWGFCLN-KRWDZBQOSA-N 2 2 342.487 3.259 20 0 EGADLP C[C@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1[nH+]ccn1C ZINC001716033310 1420492405 /nfs/dbraw/zinc/49/24/05/1420492405.db2.gz PFJSRNRQUWVWQD-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1[nH+]ccn1C ZINC001716033310 1420492406 /nfs/dbraw/zinc/49/24/06/1420492406.db2.gz PFJSRNRQUWVWQD-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716243078 1420579187 /nfs/dbraw/zinc/57/91/87/1420579187.db2.gz WOGVTNOYLCLHQW-ROUUACIJSA-N 2 2 342.487 3.342 20 0 EGADLP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001716503768 1420733602 /nfs/dbraw/zinc/73/36/02/1420733602.db2.gz XAKZUELYCSUCFR-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001716503768 1420733604 /nfs/dbraw/zinc/73/36/04/1420733604.db2.gz XAKZUELYCSUCFR-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653441 1420807079 /nfs/dbraw/zinc/80/70/79/1420807079.db2.gz IDSSXMFMBOWHMU-GDBMZVCRSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653441 1420807080 /nfs/dbraw/zinc/80/70/80/1420807080.db2.gz IDSSXMFMBOWHMU-GDBMZVCRSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001716653441 1420807081 /nfs/dbraw/zinc/80/70/81/1420807081.db2.gz IDSSXMFMBOWHMU-GDBMZVCRSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653441 1420807088 /nfs/dbraw/zinc/80/70/88/1420807088.db2.gz IDSSXMFMBOWHMU-GDBMZVCRSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001717202701 1421170920 /nfs/dbraw/zinc/17/09/20/1421170920.db2.gz YIZWOYGFYQAFMY-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001717202701 1421170921 /nfs/dbraw/zinc/17/09/21/1421170921.db2.gz YIZWOYGFYQAFMY-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001717207578 1421178942 /nfs/dbraw/zinc/17/89/42/1421178942.db2.gz HKQJUXOXXGSJBQ-QGZVFWFLSA-N 2 2 342.487 3.192 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001717207578 1421178944 /nfs/dbraw/zinc/17/89/44/1421178944.db2.gz HKQJUXOXXGSJBQ-QGZVFWFLSA-N 2 2 342.487 3.192 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001717207578 1421178946 /nfs/dbraw/zinc/17/89/46/1421178946.db2.gz HKQJUXOXXGSJBQ-QGZVFWFLSA-N 2 2 342.487 3.192 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001717207578 1421178948 /nfs/dbraw/zinc/17/89/48/1421178948.db2.gz HKQJUXOXXGSJBQ-QGZVFWFLSA-N 2 2 342.487 3.192 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375248 1421316873 /nfs/dbraw/zinc/31/68/73/1421316873.db2.gz VZKUQCKSJXMOBU-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375248 1421316876 /nfs/dbraw/zinc/31/68/76/1421316876.db2.gz VZKUQCKSJXMOBU-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](CC(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001724016907 1424631037 /nfs/dbraw/zinc/63/10/37/1424631037.db2.gz VCPBRCVJELMLFR-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP CN(CCC[N@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001724856142 1425229120 /nfs/dbraw/zinc/22/91/20/1425229120.db2.gz AMZAHBZWJBHCRP-UHFFFAOYSA-N 2 2 348.535 3.103 20 0 EGADLP CN(CCC[N@@H+](C)CCC1CCCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001724856142 1425229123 /nfs/dbraw/zinc/22/91/23/1425229123.db2.gz AMZAHBZWJBHCRP-UHFFFAOYSA-N 2 2 348.535 3.103 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731501854 1427483258 /nfs/dbraw/zinc/48/32/58/1427483258.db2.gz JYEVCFBRLYVXRY-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731501854 1427483261 /nfs/dbraw/zinc/48/32/61/1427483261.db2.gz JYEVCFBRLYVXRY-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731501854 1427483263 /nfs/dbraw/zinc/48/32/63/1427483263.db2.gz JYEVCFBRLYVXRY-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731501854 1427483265 /nfs/dbraw/zinc/48/32/65/1427483265.db2.gz JYEVCFBRLYVXRY-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001731609009 1427655073 /nfs/dbraw/zinc/65/50/73/1427655073.db2.gz SJZWLALMTSJIHG-JKSUJKDBSA-N 2 2 336.439 3.112 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)[C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001731779150 1427900278 /nfs/dbraw/zinc/90/02/78/1427900278.db2.gz FAVMMSYCRZEQMA-QGZVFWFLSA-N 2 2 325.456 3.430 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001731779150 1427900280 /nfs/dbraw/zinc/90/02/80/1427900280.db2.gz FAVMMSYCRZEQMA-QGZVFWFLSA-N 2 2 325.456 3.430 20 0 EGADLP CCC(CC)C[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001731877108 1428142399 /nfs/dbraw/zinc/14/23/99/1428142399.db2.gz MXKLINGZZXWTHG-UHFFFAOYSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001731877108 1428142400 /nfs/dbraw/zinc/14/24/00/1428142400.db2.gz MXKLINGZZXWTHG-UHFFFAOYSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CC1 ZINC001734077546 1437865666 /nfs/dbraw/zinc/86/56/66/1437865666.db2.gz DNJUNDVYNMHIAK-KRWDZBQOSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001734328179 1438052642 /nfs/dbraw/zinc/05/26/42/1438052642.db2.gz ILVLFGKROHSMDA-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001734328179 1438052643 /nfs/dbraw/zinc/05/26/43/1438052643.db2.gz ILVLFGKROHSMDA-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752515574 1440191191 /nfs/dbraw/zinc/19/11/91/1440191191.db2.gz AOUOQQFHXKNXTQ-ROUUACIJSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752515574 1440191192 /nfs/dbraw/zinc/19/11/92/1440191192.db2.gz AOUOQQFHXKNXTQ-ROUUACIJSA-N 2 2 334.508 3.051 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752528210 1440193601 /nfs/dbraw/zinc/19/36/01/1440193601.db2.gz QSHPVEOFNIRZKF-KRWDZBQOSA-N 2 2 348.535 3.294 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752528210 1440193602 /nfs/dbraw/zinc/19/36/02/1440193602.db2.gz QSHPVEOFNIRZKF-KRWDZBQOSA-N 2 2 348.535 3.294 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783266 1440209812 /nfs/dbraw/zinc/20/98/12/1440209812.db2.gz WZGCDJJQIVNHIR-ZWKOTPCHSA-N 2 2 334.508 3.099 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783266 1440209813 /nfs/dbraw/zinc/20/98/13/1440209813.db2.gz WZGCDJJQIVNHIR-ZWKOTPCHSA-N 2 2 334.508 3.099 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001752890666 1440240951 /nfs/dbraw/zinc/24/09/51/1440240951.db2.gz RWKYKOPJZCKDDV-OAHLLOKOSA-N 2 2 328.460 3.016 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CCCC1 ZINC001753010303 1440266932 /nfs/dbraw/zinc/26/69/32/1440266932.db2.gz VWZJDQHYSSGVAT-CQSZACIVSA-N 2 2 328.460 3.241 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)c1cccc(C)c1 ZINC001753090336 1440298763 /nfs/dbraw/zinc/29/87/63/1440298763.db2.gz ONOYXTPZMDTKIA-ZWKOTPCHSA-N 2 2 342.487 3.342 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)c1cccc(C)c1 ZINC001753090336 1440298764 /nfs/dbraw/zinc/29/87/64/1440298764.db2.gz ONOYXTPZMDTKIA-ZWKOTPCHSA-N 2 2 342.487 3.342 20 0 EGADLP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1Cl ZINC001753292844 1440351046 /nfs/dbraw/zinc/35/10/46/1440351046.db2.gz RYDUYOWGNRACQR-UHFFFAOYSA-N 2 2 348.878 3.023 20 0 EGADLP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccc1Cl ZINC001753292844 1440351047 /nfs/dbraw/zinc/35/10/47/1440351047.db2.gz RYDUYOWGNRACQR-UHFFFAOYSA-N 2 2 348.878 3.023 20 0 EGADLP CC(C)C[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001753748694 1440481964 /nfs/dbraw/zinc/48/19/64/1440481964.db2.gz UBOJJKPBXGXHNR-AEFFLSMTSA-N 2 2 334.508 3.145 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001753864602 1440513515 /nfs/dbraw/zinc/51/35/15/1440513515.db2.gz QKMNHAYRHYYQHF-KRWDZBQOSA-N 2 2 348.535 3.441 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001753864602 1440513516 /nfs/dbraw/zinc/51/35/16/1440513516.db2.gz QKMNHAYRHYYQHF-KRWDZBQOSA-N 2 2 348.535 3.441 20 0 EGADLP C[C@@H](C[N@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001754328779 1440582486 /nfs/dbraw/zinc/58/24/86/1440582486.db2.gz RRAVJDFUSDCUHG-GTPINHCMSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001754328779 1440582487 /nfs/dbraw/zinc/58/24/87/1440582487.db2.gz RRAVJDFUSDCUHG-GTPINHCMSA-N 2 2 348.535 3.241 20 0 EGADLP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001754588523 1440640493 /nfs/dbraw/zinc/64/04/93/1440640493.db2.gz ZNBAOFZXTLZPNW-HXUWFJFHSA-N 2 2 343.515 3.012 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001754710572 1440670041 /nfs/dbraw/zinc/67/00/41/1440670041.db2.gz INCZHDHZLOISRX-HXUWFJFHSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([C@H](C)[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001754798121 1440689851 /nfs/dbraw/zinc/68/98/51/1440689851.db2.gz WRNNGTWNXBJUKQ-WMZOPIPTSA-N 2 2 331.504 3.493 20 0 EGADLP CCC(=CC(=O)NCC[NH+]1CCC([NH2+]CC2CCCC2)CC1)CC ZINC001754848904 1440699702 /nfs/dbraw/zinc/69/97/02/1440699702.db2.gz XAJSQWGCVCBEAQ-UHFFFAOYSA-N 2 2 335.536 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)CC2 ZINC001754963018 1440717967 /nfs/dbraw/zinc/71/79/67/1440717967.db2.gz WLCXDIUJCUCCHN-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001755267613 1440796744 /nfs/dbraw/zinc/79/67/44/1440796744.db2.gz CSUZSZJTGFKAFW-IAGOWNOFSA-N 2 2 346.519 3.117 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413280 1440847439 /nfs/dbraw/zinc/84/74/39/1440847439.db2.gz WSRNJZHGDPJUON-FYFHTKEFSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001755413280 1440847440 /nfs/dbraw/zinc/84/74/40/1440847440.db2.gz WSRNJZHGDPJUON-FYFHTKEFSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413280 1440847441 /nfs/dbraw/zinc/84/74/41/1440847441.db2.gz WSRNJZHGDPJUON-FYFHTKEFSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001755413280 1440847442 /nfs/dbraw/zinc/84/74/42/1440847442.db2.gz WSRNJZHGDPJUON-FYFHTKEFSA-N 2 2 344.503 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CC2CCC(C)CC2)c[nH+]1 ZINC001755592983 1440881919 /nfs/dbraw/zinc/88/19/19/1440881919.db2.gz PEAOUVJXMFUTCC-PQUAAJSLSA-N 2 2 348.535 3.189 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737842 1440911153 /nfs/dbraw/zinc/91/11/53/1440911153.db2.gz NSQNKDBSBPAQLI-ZBFHGGJFSA-N 2 2 328.460 3.241 20 0 EGADLP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001755812615 1440921377 /nfs/dbraw/zinc/92/13/77/1440921377.db2.gz ASBYZSNZTUOUID-HZPDHXFCSA-N 2 2 334.508 3.118 20 0 EGADLP CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001755812615 1440921378 /nfs/dbraw/zinc/92/13/78/1440921378.db2.gz ASBYZSNZTUOUID-HZPDHXFCSA-N 2 2 334.508 3.118 20 0 EGADLP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001755812615 1440921379 /nfs/dbraw/zinc/92/13/79/1440921379.db2.gz ASBYZSNZTUOUID-HZPDHXFCSA-N 2 2 334.508 3.118 20 0 EGADLP CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001755812615 1440921380 /nfs/dbraw/zinc/92/13/80/1440921380.db2.gz ASBYZSNZTUOUID-HZPDHXFCSA-N 2 2 334.508 3.118 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001755836935 1440930586 /nfs/dbraw/zinc/93/05/86/1440930586.db2.gz FTZXHXBYCOQCGF-GOSISDBHSA-N 2 2 348.535 3.352 20 0 EGADLP CCN(CC)c1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc[nH+]1 ZINC001165050448 721973431 /nfs/dbraw/zinc/97/34/31/721973431.db2.gz XYSXPONIBQOPDR-QGZVFWFLSA-N 2 2 331.508 3.168 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3Cl)C[C@H]12 ZINC000261557970 547323860 /nfs/dbraw/zinc/32/38/60/547323860.db2.gz CYCKDFDDGCUASW-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3Cl)C[C@H]12 ZINC000261557970 547323865 /nfs/dbraw/zinc/32/38/65/547323865.db2.gz CYCKDFDDGCUASW-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1OC(F)F ZINC000174513476 231227761 /nfs/dbraw/zinc/22/77/61/231227761.db2.gz BLVKCXAUZTZLHN-OCCSQVGLSA-N 2 2 328.403 3.259 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1OC(F)F ZINC000174513476 231227764 /nfs/dbraw/zinc/22/77/64/231227764.db2.gz BLVKCXAUZTZLHN-OCCSQVGLSA-N 2 2 328.403 3.259 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213322 282305412 /nfs/dbraw/zinc/30/54/12/282305412.db2.gz QIOLMGNYVDKIQQ-CABCVRRESA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213322 282305414 /nfs/dbraw/zinc/30/54/14/282305414.db2.gz QIOLMGNYVDKIQQ-CABCVRRESA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213322 282305416 /nfs/dbraw/zinc/30/54/16/282305416.db2.gz QIOLMGNYVDKIQQ-CABCVRRESA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213322 282305418 /nfs/dbraw/zinc/30/54/18/282305418.db2.gz QIOLMGNYVDKIQQ-CABCVRRESA-N 2 2 347.532 3.139 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000187786134 530000593 /nfs/dbraw/zinc/00/05/93/530000593.db2.gz ZKFOKBYNHWYCNC-PMACEKPBSA-N 2 2 338.499 3.371 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000187786134 530000594 /nfs/dbraw/zinc/00/05/94/530000594.db2.gz ZKFOKBYNHWYCNC-PMACEKPBSA-N 2 2 338.499 3.371 20 0 EGADLP CCC1(CC)[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1OC ZINC000344158589 282444092 /nfs/dbraw/zinc/44/40/92/282444092.db2.gz CBTQUTYXUCOZCG-SJORKVTESA-N 2 2 326.525 3.059 20 0 EGADLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1cccc(F)c1 ZINC000045806531 213757641 /nfs/dbraw/zinc/75/76/41/213757641.db2.gz BZLDZUAGJGHRBP-UHFFFAOYSA-N 2 2 347.478 3.352 20 0 EGADLP CCn1cc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000181594275 234244620 /nfs/dbraw/zinc/24/46/20/234244620.db2.gz RNLAXHUDJKVING-JKSUJKDBSA-N 2 2 327.476 3.174 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000037320223 213140086 /nfs/dbraw/zinc/14/00/86/213140086.db2.gz OHFYSOZQYWYVCO-VXGBXAGGSA-N 2 2 338.249 3.394 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308814 216145521 /nfs/dbraw/zinc/14/55/21/216145521.db2.gz KDVCYJHABYDAIQ-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308814 216145522 /nfs/dbraw/zinc/14/55/22/216145522.db2.gz KDVCYJHABYDAIQ-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308814 216145526 /nfs/dbraw/zinc/14/55/26/216145526.db2.gz KDVCYJHABYDAIQ-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000072308814 216145529 /nfs/dbraw/zinc/14/55/29/216145529.db2.gz KDVCYJHABYDAIQ-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129730610 223086109 /nfs/dbraw/zinc/08/61/09/223086109.db2.gz ZUNNUZQFPHIKRC-FUHWJXTLSA-N 2 2 326.444 3.103 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129730610 223086112 /nfs/dbraw/zinc/08/61/12/223086112.db2.gz ZUNNUZQFPHIKRC-FUHWJXTLSA-N 2 2 326.444 3.103 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857786 216318259 /nfs/dbraw/zinc/31/82/59/216318259.db2.gz IKLHHTIVACDCJY-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857786 216318261 /nfs/dbraw/zinc/31/82/61/216318261.db2.gz IKLHHTIVACDCJY-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857786 216318264 /nfs/dbraw/zinc/31/82/64/216318264.db2.gz IKLHHTIVACDCJY-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000072857786 216318266 /nfs/dbraw/zinc/31/82/66/216318266.db2.gz IKLHHTIVACDCJY-MRXNPFEDSA-N 2 2 328.456 3.183 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000193950865 240375988 /nfs/dbraw/zinc/37/59/88/240375988.db2.gz VTBXWVSSMFPORV-AYOQOUSVSA-N 2 2 325.456 3.282 20 0 EGADLP c1cn(C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c[nH+]1 ZINC000109792702 219992683 /nfs/dbraw/zinc/99/26/83/219992683.db2.gz QPXZLTWFMWGJOO-UHFFFAOYSA-N 2 2 337.427 3.203 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3F)C[C@@H]21 ZINC000230045909 242224876 /nfs/dbraw/zinc/22/48/76/242224876.db2.gz OUIGODKWVHCVCO-VZJVUDMVSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3F)C[C@@H]21 ZINC000230045909 242224882 /nfs/dbraw/zinc/22/48/82/242224882.db2.gz OUIGODKWVHCVCO-VZJVUDMVSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000572438958 317339108 /nfs/dbraw/zinc/33/91/08/317339108.db2.gz DUVFQJUTZBCFPH-SMDDNHRTSA-N 2 2 329.257 3.203 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000572438958 317339110 /nfs/dbraw/zinc/33/91/10/317339110.db2.gz DUVFQJUTZBCFPH-SMDDNHRTSA-N 2 2 329.257 3.203 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000377266503 169004984 /nfs/dbraw/zinc/00/49/84/169004984.db2.gz KXXMTODEFUCLLP-ZDUSSCGKSA-N 2 2 329.835 3.101 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000377266503 169004987 /nfs/dbraw/zinc/00/49/87/169004987.db2.gz KXXMTODEFUCLLP-ZDUSSCGKSA-N 2 2 329.835 3.101 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@H+](C)CCCn3cc[nH+]c3)o2)c1 ZINC000378434328 169120348 /nfs/dbraw/zinc/12/03/48/169120348.db2.gz RGOFGTNYICGKSJ-HNNXBMFYSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)o2)c1 ZINC000378434328 169120351 /nfs/dbraw/zinc/12/03/51/169120351.db2.gz RGOFGTNYICGKSJ-HNNXBMFYSA-N 2 2 325.416 3.325 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@@H+]1C ZINC000378571044 169139794 /nfs/dbraw/zinc/13/97/94/169139794.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+]1C ZINC000378571044 169139797 /nfs/dbraw/zinc/13/97/97/169139797.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571044 169139799 /nfs/dbraw/zinc/13/97/99/169139799.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000378571044 169139800 /nfs/dbraw/zinc/13/98/00/169139800.db2.gz PJSNPHIYMJUUFR-KMKNWIINSA-N 3 2 341.543 3.359 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000091678600 218045702 /nfs/dbraw/zinc/04/57/02/218045702.db2.gz RZJUDCPKLFVZJN-AYBZRNKSSA-N 2 2 347.890 3.249 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000091678600 218045704 /nfs/dbraw/zinc/04/57/04/218045704.db2.gz RZJUDCPKLFVZJN-AYBZRNKSSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000091678600 218045707 /nfs/dbraw/zinc/04/57/07/218045707.db2.gz RZJUDCPKLFVZJN-AYBZRNKSSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000091678600 218045709 /nfs/dbraw/zinc/04/57/09/218045709.db2.gz RZJUDCPKLFVZJN-AYBZRNKSSA-N 2 2 347.890 3.249 20 0 EGADLP CCn1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336840 218216099 /nfs/dbraw/zinc/21/60/99/218216099.db2.gz SVAGVAMWBIBHJN-FQEVSTJZSA-N 2 2 340.515 3.474 20 0 EGADLP CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336840 218216102 /nfs/dbraw/zinc/21/61/02/218216102.db2.gz SVAGVAMWBIBHJN-FQEVSTJZSA-N 2 2 340.515 3.474 20 0 EGADLP CCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093336840 218216104 /nfs/dbraw/zinc/21/61/04/218216104.db2.gz SVAGVAMWBIBHJN-FQEVSTJZSA-N 2 2 340.515 3.474 20 0 EGADLP CCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093336840 218216107 /nfs/dbraw/zinc/21/61/07/218216107.db2.gz SVAGVAMWBIBHJN-FQEVSTJZSA-N 2 2 340.515 3.474 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC(F)F ZINC000093770681 218248806 /nfs/dbraw/zinc/24/88/06/218248806.db2.gz NAJQQJGBVYWXPE-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC(F)F ZINC000093770681 218248809 /nfs/dbraw/zinc/24/88/09/218248809.db2.gz NAJQQJGBVYWXPE-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)ccc1OC(F)F ZINC000093770681 218248812 /nfs/dbraw/zinc/24/88/12/218248812.db2.gz NAJQQJGBVYWXPE-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)ccc1OC(F)F ZINC000093770681 218248813 /nfs/dbraw/zinc/24/88/13/218248813.db2.gz NAJQQJGBVYWXPE-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP FC(F)(F)c1cc[nH+]c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000267420557 251041885 /nfs/dbraw/zinc/04/18/85/251041885.db2.gz UOBOTNVCIZBMJM-UHFFFAOYSA-N 2 2 343.393 3.182 20 0 EGADLP Brc1cncc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351549468 532978300 /nfs/dbraw/zinc/97/83/00/532978300.db2.gz APNLAEVPFQEKQQ-UHFFFAOYSA-N 2 2 344.216 3.096 20 0 EGADLP CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112635525 220361472 /nfs/dbraw/zinc/36/14/72/220361472.db2.gz JCXDFPDCTUXQBA-UHFFFAOYSA-N 2 2 339.439 3.288 20 0 EGADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000118868261 221198839 /nfs/dbraw/zinc/19/88/39/221198839.db2.gz YIWXAIUXSYGSGH-UHFFFAOYSA-N 2 2 341.858 3.081 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc[nH+]1 ZINC000119735024 221388908 /nfs/dbraw/zinc/38/89/08/221388908.db2.gz LCZDFCBHUGUHES-QGZVFWFLSA-N 2 2 330.476 3.366 20 0 EGADLP CCc1noc(C)c1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328606789 258040511 /nfs/dbraw/zinc/04/05/11/258040511.db2.gz TUJGQFBCYIFXQN-QGZVFWFLSA-N 2 2 328.460 3.085 20 0 EGADLP CCc1noc(C)c1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000328606789 258040512 /nfs/dbraw/zinc/04/05/12/258040512.db2.gz TUJGQFBCYIFXQN-QGZVFWFLSA-N 2 2 328.460 3.085 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000191295212 533651831 /nfs/dbraw/zinc/65/18/31/533651831.db2.gz QARMRAHMPNWBON-AEFFLSMTSA-N 2 2 341.503 3.176 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@H+]1Cc1ccccc1 ZINC000191295212 533651835 /nfs/dbraw/zinc/65/18/35/533651835.db2.gz QARMRAHMPNWBON-AEFFLSMTSA-N 2 2 341.503 3.176 20 0 EGADLP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261788905 299621262 /nfs/dbraw/zinc/62/12/62/299621262.db2.gz XRDOOMPDMICZBZ-OCCSQVGLSA-N 2 2 328.287 3.034 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCCCC[NH3+])n2)C1 ZINC000237554143 141007584 /nfs/dbraw/zinc/00/75/84/141007584.db2.gz GZLNQCYCRGKYKV-CQSZACIVSA-N 2 2 338.521 3.223 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCCCC[NH3+])n2)C1 ZINC000237554143 141007589 /nfs/dbraw/zinc/00/75/89/141007589.db2.gz GZLNQCYCRGKYKV-CQSZACIVSA-N 2 2 338.521 3.223 20 0 EGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000339494448 141123131 /nfs/dbraw/zinc/12/31/31/141123131.db2.gz VVPYQWNSJYYXGB-LLVKDONJSA-N 2 2 342.274 3.004 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CCn1cccn1 ZINC000346630999 141208621 /nfs/dbraw/zinc/20/86/21/141208621.db2.gz ZVECQRYPNOPMHA-AZUAARDMSA-N 2 2 328.504 3.408 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CCn1cccn1 ZINC000346630999 141208623 /nfs/dbraw/zinc/20/86/23/141208623.db2.gz ZVECQRYPNOPMHA-AZUAARDMSA-N 2 2 328.504 3.408 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912159 141215279 /nfs/dbraw/zinc/21/52/79/141215279.db2.gz MDQZQYFLUJJLJF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912159 141215280 /nfs/dbraw/zinc/21/52/80/141215280.db2.gz MDQZQYFLUJJLJF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912159 141215281 /nfs/dbraw/zinc/21/52/81/141215281.db2.gz MDQZQYFLUJJLJF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912159 141215282 /nfs/dbraw/zinc/21/52/82/141215282.db2.gz MDQZQYFLUJJLJF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000350730339 141263948 /nfs/dbraw/zinc/26/39/48/141263948.db2.gz RXIBLJJYVNEJMX-BBWFWOEESA-N 2 2 331.508 3.245 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000350730339 141263949 /nfs/dbraw/zinc/26/39/49/141263949.db2.gz RXIBLJJYVNEJMX-BBWFWOEESA-N 2 2 331.508 3.245 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935080 141271974 /nfs/dbraw/zinc/27/19/74/141271974.db2.gz XYMWBUIUFPPYLI-YJBOKZPZSA-N 2 2 330.863 3.052 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935080 141271977 /nfs/dbraw/zinc/27/19/77/141271977.db2.gz XYMWBUIUFPPYLI-YJBOKZPZSA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935080 141271979 /nfs/dbraw/zinc/27/19/79/141271979.db2.gz XYMWBUIUFPPYLI-YJBOKZPZSA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@H]2C1 ZINC000352935080 141271981 /nfs/dbraw/zinc/27/19/81/141271981.db2.gz XYMWBUIUFPPYLI-YJBOKZPZSA-N 2 2 330.863 3.052 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000353343901 141291453 /nfs/dbraw/zinc/29/14/53/141291453.db2.gz YPBDOBRJNHGGSI-VQIMIIECSA-N 2 2 347.503 3.185 20 0 EGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000354561421 141306473 /nfs/dbraw/zinc/30/64/73/141306473.db2.gz CBJGDZDLBPHREY-XKGZKEIXSA-N 2 2 331.504 3.402 20 0 EGADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357962892 141369045 /nfs/dbraw/zinc/36/90/45/141369045.db2.gz HMWZFSHUDITZQP-INIZCTEOSA-N 2 2 346.519 3.221 20 0 EGADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000357962892 141369049 /nfs/dbraw/zinc/36/90/49/141369049.db2.gz HMWZFSHUDITZQP-INIZCTEOSA-N 2 2 346.519 3.221 20 0 EGADLP COC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)c(F)c1 ZINC000183948792 144082251 /nfs/dbraw/zinc/08/22/51/144082251.db2.gz SYWIXADBOSGLMA-QGZVFWFLSA-N 2 2 326.431 3.364 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677806875 549335155 /nfs/dbraw/zinc/33/51/55/549335155.db2.gz SDVHOLIVEMSDMY-WOJBJXKFSA-N 2 2 346.515 3.072 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677806875 549335160 /nfs/dbraw/zinc/33/51/60/549335160.db2.gz SDVHOLIVEMSDMY-WOJBJXKFSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351474645 144266425 /nfs/dbraw/zinc/26/64/25/144266425.db2.gz GPZAPIIJANGZEJ-RISCZKNCSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351474645 144266426 /nfs/dbraw/zinc/26/64/26/144266426.db2.gz GPZAPIIJANGZEJ-RISCZKNCSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351474645 144266427 /nfs/dbraw/zinc/26/64/27/144266427.db2.gz GPZAPIIJANGZEJ-RISCZKNCSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351474645 144266428 /nfs/dbraw/zinc/26/64/28/144266428.db2.gz GPZAPIIJANGZEJ-RISCZKNCSA-N 2 2 331.287 3.441 20 0 EGADLP Cc1ccccc1C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351476183 144266475 /nfs/dbraw/zinc/26/64/75/144266475.db2.gz JUVLFGRNMPGGJP-JOCHJYFZSA-N 2 2 338.495 3.452 20 0 EGADLP Cc1ccccc1C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351476183 144266476 /nfs/dbraw/zinc/26/64/76/144266476.db2.gz JUVLFGRNMPGGJP-JOCHJYFZSA-N 2 2 338.495 3.452 20 0 EGADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351476183 144266478 /nfs/dbraw/zinc/26/64/78/144266478.db2.gz JUVLFGRNMPGGJP-JOCHJYFZSA-N 2 2 338.495 3.452 20 0 EGADLP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351476183 144266480 /nfs/dbraw/zinc/26/64/80/144266480.db2.gz JUVLFGRNMPGGJP-JOCHJYFZSA-N 2 2 338.495 3.452 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536677 144275828 /nfs/dbraw/zinc/27/58/28/144275828.db2.gz NXRXEXWLNYYNFW-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536677 144275830 /nfs/dbraw/zinc/27/58/30/144275830.db2.gz NXRXEXWLNYYNFW-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536677 144275832 /nfs/dbraw/zinc/27/58/32/144275832.db2.gz NXRXEXWLNYYNFW-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536677 144275834 /nfs/dbraw/zinc/27/58/34/144275834.db2.gz NXRXEXWLNYYNFW-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP COc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)ccc1SC ZINC000351545118 144276930 /nfs/dbraw/zinc/27/69/30/144276930.db2.gz KJGXZRQOXMTZFT-UHFFFAOYSA-N 2 2 340.452 3.091 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000351604802 144286907 /nfs/dbraw/zinc/28/69/07/144286907.db2.gz WSDNLHWWABSSPI-KRWDZBQOSA-N 2 2 344.478 3.402 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000351604802 144286909 /nfs/dbraw/zinc/28/69/09/144286909.db2.gz WSDNLHWWABSSPI-KRWDZBQOSA-N 2 2 344.478 3.402 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000351604802 144286912 /nfs/dbraw/zinc/28/69/12/144286912.db2.gz WSDNLHWWABSSPI-KRWDZBQOSA-N 2 2 344.478 3.402 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000351604802 144286913 /nfs/dbraw/zinc/28/69/13/144286913.db2.gz WSDNLHWWABSSPI-KRWDZBQOSA-N 2 2 344.478 3.402 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625626 144289318 /nfs/dbraw/zinc/28/93/18/144289318.db2.gz AXUXLVOBGSRXIY-CRAIPNDOSA-N 2 2 347.532 3.090 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625626 144289319 /nfs/dbraw/zinc/28/93/19/144289319.db2.gz AXUXLVOBGSRXIY-CRAIPNDOSA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625626 144289321 /nfs/dbraw/zinc/28/93/21/144289321.db2.gz AXUXLVOBGSRXIY-CRAIPNDOSA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625626 144289322 /nfs/dbraw/zinc/28/93/22/144289322.db2.gz AXUXLVOBGSRXIY-CRAIPNDOSA-N 2 2 347.532 3.090 20 0 EGADLP c1cc2c(s1)C[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000351755305 144302336 /nfs/dbraw/zinc/30/23/36/144302336.db2.gz FODJGXDUMAYGEE-UHFFFAOYSA-N 2 2 341.524 3.319 20 0 EGADLP c1cc2c(s1)C[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000351755305 144302337 /nfs/dbraw/zinc/30/23/37/144302337.db2.gz FODJGXDUMAYGEE-UHFFFAOYSA-N 2 2 341.524 3.319 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000351758906 144302977 /nfs/dbraw/zinc/30/29/77/144302977.db2.gz LEELJTCDYIXYIK-SFHVURJKSA-N 2 2 327.472 3.451 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865843 144317615 /nfs/dbraw/zinc/31/76/15/144317615.db2.gz PDFPVGSMSOJBDW-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865843 144317617 /nfs/dbraw/zinc/31/76/17/144317617.db2.gz PDFPVGSMSOJBDW-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)n21 ZINC000352288335 144322993 /nfs/dbraw/zinc/32/29/93/144322993.db2.gz ZUORDPKMBIOOPY-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)n21 ZINC000352288335 144322994 /nfs/dbraw/zinc/32/29/94/144322994.db2.gz ZUORDPKMBIOOPY-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341437896 155292293 /nfs/dbraw/zinc/29/22/93/155292293.db2.gz UCSXZZOBLJDYJZ-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000115360831 152007866 /nfs/dbraw/zinc/00/78/66/152007866.db2.gz WTQDDTLFVBEHOR-OAHLLOKOSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000115360831 152007871 /nfs/dbraw/zinc/00/78/71/152007871.db2.gz WTQDDTLFVBEHOR-OAHLLOKOSA-N 2 2 339.439 3.395 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000115548405 152018467 /nfs/dbraw/zinc/01/84/67/152018467.db2.gz RMUZOASYVMRYLH-UHFFFAOYSA-N 2 2 347.890 3.167 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000115548405 152018470 /nfs/dbraw/zinc/01/84/70/152018470.db2.gz RMUZOASYVMRYLH-UHFFFAOYSA-N 2 2 347.890 3.167 20 0 EGADLP C[NH+](C)CC[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)C(C)(C)C ZINC000116395781 152058477 /nfs/dbraw/zinc/05/84/77/152058477.db2.gz BDZHEXVJYGUJDE-ROUUACIJSA-N 2 2 349.494 3.101 20 0 EGADLP C[N@H+](CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000117582898 152104283 /nfs/dbraw/zinc/10/42/83/152104283.db2.gz NDEWFMZMLHHOIL-UHFFFAOYSA-N 2 2 348.450 3.124 20 0 EGADLP C[N@@H+](CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)Cc1ccccc1 ZINC000117582898 152104287 /nfs/dbraw/zinc/10/42/87/152104287.db2.gz NDEWFMZMLHHOIL-UHFFFAOYSA-N 2 2 348.450 3.124 20 0 EGADLP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120347434 152269083 /nfs/dbraw/zinc/26/90/83/152269083.db2.gz PKPQNZHJLGCDGF-AWEZNQCLSA-N 2 2 338.386 3.301 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)c1 ZINC000120892343 152308692 /nfs/dbraw/zinc/30/86/92/152308692.db2.gz GLIQETPXNHCUIR-UHFFFAOYSA-N 2 2 347.409 3.356 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357903 153249915 /nfs/dbraw/zinc/24/99/15/153249915.db2.gz BYMIBCPPNXVNCN-NRFANRHFSA-N 2 2 340.467 3.076 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357903 153249922 /nfs/dbraw/zinc/24/99/22/153249922.db2.gz BYMIBCPPNXVNCN-NRFANRHFSA-N 2 2 340.467 3.076 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000303217137 154041077 /nfs/dbraw/zinc/04/10/77/154041077.db2.gz DWCNVKKYKCBOBY-NVXWUHKLSA-N 2 2 338.492 3.045 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1OCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305128255 154084278 /nfs/dbraw/zinc/08/42/78/154084278.db2.gz JCNPITCPGXSHFM-MRXNPFEDSA-N 2 2 337.423 3.094 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000305181464 154088720 /nfs/dbraw/zinc/08/87/20/154088720.db2.gz WHVFVCKBOSFDBZ-ZWQIFLOQSA-N 2 2 332.488 3.261 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000310141305 154140387 /nfs/dbraw/zinc/14/03/87/154140387.db2.gz CIAYWANSLVHPER-VQIMIIECSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000310141305 154140389 /nfs/dbraw/zinc/14/03/89/154140389.db2.gz CIAYWANSLVHPER-VQIMIIECSA-N 2 2 326.488 3.391 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1OC ZINC000310716731 154141318 /nfs/dbraw/zinc/14/13/18/154141318.db2.gz WQWOVOQXSYTKEP-LPHOPBHVSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1OC ZINC000310716731 154141323 /nfs/dbraw/zinc/14/13/23/154141323.db2.gz WQWOVOQXSYTKEP-LPHOPBHVSA-N 2 2 340.467 3.456 20 0 EGADLP CC(C)n1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000311161892 154146321 /nfs/dbraw/zinc/14/63/21/154146321.db2.gz PSGIBRMWJDYOBC-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000311161892 154146325 /nfs/dbraw/zinc/14/63/25/154146325.db2.gz PSGIBRMWJDYOBC-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000311161892 154146327 /nfs/dbraw/zinc/14/63/27/154146327.db2.gz PSGIBRMWJDYOBC-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000311161892 154146330 /nfs/dbraw/zinc/14/63/30/154146330.db2.gz PSGIBRMWJDYOBC-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000337378586 154320745 /nfs/dbraw/zinc/32/07/45/154320745.db2.gz XEMNQLBEAZTKQI-GOSISDBHSA-N 2 2 346.519 3.077 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000337378586 154320749 /nfs/dbraw/zinc/32/07/49/154320749.db2.gz XEMNQLBEAZTKQI-GOSISDBHSA-N 2 2 346.519 3.077 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000337394887 154330994 /nfs/dbraw/zinc/33/09/94/154330994.db2.gz PAEPXSALBLCTGT-VKJFTORMSA-N 2 2 332.488 3.016 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000337394887 154331000 /nfs/dbraw/zinc/33/10/00/154331000.db2.gz PAEPXSALBLCTGT-VKJFTORMSA-N 2 2 332.488 3.016 20 0 EGADLP COCC[C@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000337408664 154338873 /nfs/dbraw/zinc/33/88/73/154338873.db2.gz UQZMXZZTLXPWBD-MOPGFXCFSA-N 2 2 327.472 3.269 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1OC ZINC000337465531 154366382 /nfs/dbraw/zinc/36/63/82/154366382.db2.gz LUCYKHRARFUVEO-MRXNPFEDSA-N 2 2 343.471 3.430 20 0 EGADLP CC[N@@H+](Cc1ccnc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000339868019 155011922 /nfs/dbraw/zinc/01/19/22/155011922.db2.gz SHUZSOAQTPDRRP-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1ccnc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000339868019 155011926 /nfs/dbraw/zinc/01/19/26/155011926.db2.gz SHUZSOAQTPDRRP-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C12CCC2 ZINC000344075447 286490644 /nfs/dbraw/zinc/49/06/44/286490644.db2.gz NSLPDYFTUUMBRZ-MOPGFXCFSA-N 2 2 328.500 3.023 20 0 EGADLP CCc1nc(N[C@H](C[NH+]2CCCC2)c2ccc(OC)cc2)cc(C)[nH+]1 ZINC000342932681 155586341 /nfs/dbraw/zinc/58/63/41/155586341.db2.gz NRLCSGKHMCKWHW-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000345225387 156003456 /nfs/dbraw/zinc/00/34/56/156003456.db2.gz OGTDYFAWOPVOSX-VQTJNVASSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000345225387 156003459 /nfs/dbraw/zinc/00/34/59/156003459.db2.gz OGTDYFAWOPVOSX-VQTJNVASSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000345225387 156003461 /nfs/dbraw/zinc/00/34/61/156003461.db2.gz OGTDYFAWOPVOSX-VQTJNVASSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000345225387 156003464 /nfs/dbraw/zinc/00/34/64/156003464.db2.gz OGTDYFAWOPVOSX-VQTJNVASSA-N 2 2 343.515 3.032 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)[C@H]1C ZINC000345305476 156046209 /nfs/dbraw/zinc/04/62/09/156046209.db2.gz QEEDZVDDDAFRQO-WDKDSRHDSA-N 2 2 344.503 3.029 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346819387 156151216 /nfs/dbraw/zinc/15/12/16/156151216.db2.gz BQDYLMNJYAQNPB-QWRGUYRKSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346819387 156151222 /nfs/dbraw/zinc/15/12/22/156151222.db2.gz BQDYLMNJYAQNPB-QWRGUYRKSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000346997962 156236811 /nfs/dbraw/zinc/23/68/11/156236811.db2.gz DUBJDRHMOYGJES-ZWNOBZJWSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000346997962 156236815 /nfs/dbraw/zinc/23/68/15/156236815.db2.gz DUBJDRHMOYGJES-ZWNOBZJWSA-N 2 2 329.307 3.340 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@H]1[NH3+] ZINC000347017501 156251508 /nfs/dbraw/zinc/25/15/08/156251508.db2.gz DQIOVJGYECUTHT-JOYOIKCWSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@H]1[NH3+] ZINC000347017501 156251511 /nfs/dbraw/zinc/25/15/11/156251511.db2.gz DQIOVJGYECUTHT-JOYOIKCWSA-N 2 2 349.219 3.220 20 0 EGADLP COc1cc2c(c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c1)O[C@@H](C)C2 ZINC000348871542 156270670 /nfs/dbraw/zinc/27/06/70/156270670.db2.gz XTQGDOPEUHLFHK-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c1)O[C@@H](C)C2 ZINC000348871542 156270672 /nfs/dbraw/zinc/27/06/72/156270672.db2.gz XTQGDOPEUHLFHK-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c1)O[C@@H](C)C2 ZINC000348871542 156270675 /nfs/dbraw/zinc/27/06/75/156270675.db2.gz XTQGDOPEUHLFHK-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c1)O[C@@H](C)C2 ZINC000348871542 156270678 /nfs/dbraw/zinc/27/06/78/156270678.db2.gz XTQGDOPEUHLFHK-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1cccc2[nH+]ccn21 ZINC000349036086 156325079 /nfs/dbraw/zinc/32/50/79/156325079.db2.gz MHGDINXMYLOTSU-UHFFFAOYSA-N 2 2 344.409 3.176 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000365650831 157204595 /nfs/dbraw/zinc/20/45/95/157204595.db2.gz TVSKECAENPYMJP-CQSZACIVSA-N 2 2 347.846 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000365650831 157204598 /nfs/dbraw/zinc/20/45/98/157204598.db2.gz TVSKECAENPYMJP-CQSZACIVSA-N 2 2 347.846 3.224 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368586282 157228309 /nfs/dbraw/zinc/22/83/09/157228309.db2.gz XGXZFPMLNOGDAT-VLIAUNLRSA-N 2 2 341.430 3.297 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601408 157236518 /nfs/dbraw/zinc/23/65/18/157236518.db2.gz GLZNIJFDOOLWKD-UYAOXDASSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601408 157236522 /nfs/dbraw/zinc/23/65/22/157236522.db2.gz GLZNIJFDOOLWKD-UYAOXDASSA-N 2 2 339.483 3.332 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000372494619 157343155 /nfs/dbraw/zinc/34/31/55/157343155.db2.gz COGYQRDMSGMXMX-OAHLLOKOSA-N 2 2 344.459 3.214 20 0 EGADLP O=C(Cc1cn2ccccc2[nH+]1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000065877018 161574208 /nfs/dbraw/zinc/57/42/08/161574208.db2.gz BFTPNKMBPUQQCE-UHFFFAOYSA-N 2 2 348.450 3.154 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150816816 162552889 /nfs/dbraw/zinc/55/28/89/162552889.db2.gz YRUFLEIHTJOMSG-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150816816 162552891 /nfs/dbraw/zinc/55/28/91/162552891.db2.gz YRUFLEIHTJOMSG-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483927 163009330 /nfs/dbraw/zinc/00/93/30/163009330.db2.gz JSERZDPCCJMWMB-SVFBPWRDSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483927 163009333 /nfs/dbraw/zinc/00/93/33/163009333.db2.gz JSERZDPCCJMWMB-SVFBPWRDSA-N 3 2 344.547 3.146 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC000337273502 163190167 /nfs/dbraw/zinc/19/01/67/163190167.db2.gz PDNDZEPSDKAIFY-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC000337273502 163190170 /nfs/dbraw/zinc/19/01/70/163190170.db2.gz PDNDZEPSDKAIFY-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP COc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000338273280 163202208 /nfs/dbraw/zinc/20/22/08/163202208.db2.gz FFFLMNOZEZDXIJ-FDQGKXFDSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000338273280 163202211 /nfs/dbraw/zinc/20/22/11/163202211.db2.gz FFFLMNOZEZDXIJ-FDQGKXFDSA-N 2 2 338.879 3.032 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1C ZINC000338331712 163213385 /nfs/dbraw/zinc/21/33/85/163213385.db2.gz WVVVVZHFASGNOI-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nn1C ZINC000338331712 163213389 /nfs/dbraw/zinc/21/33/89/163213389.db2.gz WVVVVZHFASGNOI-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP CCc1[nH+]c2cc(CNc3[nH+]cnc4[nH]ccc43)ccc2n1C1CC1 ZINC000338485988 163243285 /nfs/dbraw/zinc/24/32/85/163243285.db2.gz BHHHXHJKDBCDCO-UHFFFAOYSA-N 2 2 332.411 3.239 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCCCC[NH+]2CCCC2)c1C ZINC000338758902 163341148 /nfs/dbraw/zinc/34/11/48/163341148.db2.gz USXIKQWUNRDRTE-UHFFFAOYSA-N 2 2 339.487 3.255 20 0 EGADLP CC[C@@H](C(=O)NCc1[nH+]ccn1CC(C)C)[N@H+](C)Cc1ccccc1 ZINC000354710452 166015370 /nfs/dbraw/zinc/01/53/70/166015370.db2.gz NSZZYUWXJRYDTI-SFHVURJKSA-N 2 2 342.487 3.066 20 0 EGADLP CC[C@@H](C(=O)NCc1[nH+]ccn1CC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000354710452 166015372 /nfs/dbraw/zinc/01/53/72/166015372.db2.gz NSZZYUWXJRYDTI-SFHVURJKSA-N 2 2 342.487 3.066 20 0 EGADLP CCOc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000343763566 164028715 /nfs/dbraw/zinc/02/87/15/164028715.db2.gz VXHASCWSPQRTNI-UHFFFAOYSA-N 2 2 328.460 3.369 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000354805551 166036358 /nfs/dbraw/zinc/03/63/58/166036358.db2.gz JDRQNVRWVGTKAD-CQSZACIVSA-N 2 2 330.476 3.122 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@@H+]1C ZINC000344319334 164155685 /nfs/dbraw/zinc/15/56/85/164155685.db2.gz BRXPRSIYMSCKEL-OXQOHEQNSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@H+]1C ZINC000344319334 164155689 /nfs/dbraw/zinc/15/56/89/164155689.db2.gz BRXPRSIYMSCKEL-OXQOHEQNSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@@H+]1C ZINC000344328192 164157742 /nfs/dbraw/zinc/15/77/42/164157742.db2.gz QSCBFUXNCSEHSZ-OXQOHEQNSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@H+]1C ZINC000344328192 164157743 /nfs/dbraw/zinc/15/77/43/164157743.db2.gz QSCBFUXNCSEHSZ-OXQOHEQNSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nccs1 ZINC000093405392 287050631 /nfs/dbraw/zinc/05/06/31/287050631.db2.gz WCKVKYUVOACNNI-UONOGXRCSA-N 2 2 348.491 3.446 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000347678950 164546211 /nfs/dbraw/zinc/54/62/11/164546211.db2.gz SZEUDWLQZXNIKK-UHFFFAOYSA-N 2 2 327.447 3.280 20 0 EGADLP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000348101975 164631143 /nfs/dbraw/zinc/63/11/43/164631143.db2.gz KBDSKYITOSTXAF-HZPDHXFCSA-N 2 2 339.361 3.131 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c[nH+]1 ZINC000355142334 166116886 /nfs/dbraw/zinc/11/68/86/166116886.db2.gz XWOUVNJFAYSQNB-UXHICEINSA-N 2 2 328.431 3.218 20 0 EGADLP CCn1nc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000355294985 166156470 /nfs/dbraw/zinc/15/64/70/166156470.db2.gz QKOKABLPUJTRIH-WOJBJXKFSA-N 2 2 338.499 3.084 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000355449936 166204182 /nfs/dbraw/zinc/20/41/82/166204182.db2.gz WKIPBSAOSXIPGE-QGZVFWFLSA-N 2 2 342.487 3.266 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000355449936 166204183 /nfs/dbraw/zinc/20/41/83/166204183.db2.gz WKIPBSAOSXIPGE-QGZVFWFLSA-N 2 2 342.487 3.266 20 0 EGADLP CC[C@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000355963087 166360852 /nfs/dbraw/zinc/36/08/52/166360852.db2.gz UGKBIDOEIXHUPP-IAGOWNOFSA-N 2 2 328.460 3.134 20 0 EGADLP CC[C@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963087 166360853 /nfs/dbraw/zinc/36/08/53/166360853.db2.gz UGKBIDOEIXHUPP-IAGOWNOFSA-N 2 2 328.460 3.134 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358979028 167026308 /nfs/dbraw/zinc/02/63/08/167026308.db2.gz FWKXMQDNSBTGSI-FYZZASKESA-N 2 2 328.500 3.204 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000358979028 167026311 /nfs/dbraw/zinc/02/63/11/167026311.db2.gz FWKXMQDNSBTGSI-FYZZASKESA-N 2 2 328.500 3.204 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2cccc(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000359037651 167046183 /nfs/dbraw/zinc/04/61/83/167046183.db2.gz GSKGICFIJDFLCV-ROUUACIJSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000359037651 167046187 /nfs/dbraw/zinc/04/61/87/167046187.db2.gz GSKGICFIJDFLCV-ROUUACIJSA-N 2 2 334.504 3.191 20 0 EGADLP c1ccc(C[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2cccnc2)nc1 ZINC000359068792 167056992 /nfs/dbraw/zinc/05/69/92/167056992.db2.gz GIMIHHQLMHLGSP-CBNMVNINSA-N 2 2 336.483 3.367 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582752 167199547 /nfs/dbraw/zinc/19/95/47/167199547.db2.gz GYAANXZNIUZLNX-YJBOKZPZSA-N 2 2 332.492 3.351 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582752 167199549 /nfs/dbraw/zinc/19/95/49/167199549.db2.gz GYAANXZNIUZLNX-YJBOKZPZSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)(C[NH2+]Cc1ccc(Br)cn1)C[NH+]1CCCC1 ZINC000360181154 167265305 /nfs/dbraw/zinc/26/53/05/167265305.db2.gz PLRLIAZNJGQAKQ-UHFFFAOYSA-N 2 2 326.282 3.056 20 0 EGADLP C[C@H](CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792279 168043847 /nfs/dbraw/zinc/04/38/47/168043847.db2.gz BLSXPSSEEUZWJR-DYXWJJEUSA-N 2 2 329.532 3.138 20 0 EGADLP C[C@H](CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000365792279 168043849 /nfs/dbraw/zinc/04/38/49/168043849.db2.gz BLSXPSSEEUZWJR-DYXWJJEUSA-N 2 2 329.532 3.138 20 0 EGADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366184525 168092323 /nfs/dbraw/zinc/09/23/23/168092323.db2.gz AKJRZXJGGUQNJM-KRWDZBQOSA-N 2 2 338.455 3.107 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)F)cc1 ZINC000366218718 168095121 /nfs/dbraw/zinc/09/51/21/168095121.db2.gz MJDYMRKYCBVIEL-OIISXLGYSA-N 2 2 340.414 3.192 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096351 /nfs/dbraw/zinc/09/63/51/168096351.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096353 /nfs/dbraw/zinc/09/63/53/168096353.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096354 /nfs/dbraw/zinc/09/63/54/168096354.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224895 168096356 /nfs/dbraw/zinc/09/63/56/168096356.db2.gz ZEXQDWPURNAUJK-NRSPTQNISA-N 3 2 329.532 3.219 20 0 EGADLP COCCCn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000367120785 168181757 /nfs/dbraw/zinc/18/17/57/168181757.db2.gz ILWFYPJGOZZXFI-OALUTQOASA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000367120785 168181758 /nfs/dbraw/zinc/18/17/58/168181758.db2.gz ILWFYPJGOZZXFI-OALUTQOASA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000367120785 168181762 /nfs/dbraw/zinc/18/17/62/168181762.db2.gz ILWFYPJGOZZXFI-OALUTQOASA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000367120785 168181765 /nfs/dbraw/zinc/18/17/65/168181765.db2.gz ILWFYPJGOZZXFI-OALUTQOASA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000367590877 168246405 /nfs/dbraw/zinc/24/64/05/168246405.db2.gz WRYJCQAGIHVTPI-UTKZUKDTSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000367590877 168246407 /nfs/dbraw/zinc/24/64/07/168246407.db2.gz WRYJCQAGIHVTPI-UTKZUKDTSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(-c2ccnn2C)c1 ZINC000367708360 168261548 /nfs/dbraw/zinc/26/15/48/168261548.db2.gz URQVZQOATZGNHH-QGZVFWFLSA-N 2 2 335.455 3.119 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(-c2ccnn2C)c1 ZINC000367708360 168261549 /nfs/dbraw/zinc/26/15/49/168261549.db2.gz URQVZQOATZGNHH-QGZVFWFLSA-N 2 2 335.455 3.119 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851064 168277328 /nfs/dbraw/zinc/27/73/28/168277328.db2.gz UDOGLLJJYIBIGX-GOSISDBHSA-N 2 2 333.382 3.147 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851064 168277329 /nfs/dbraw/zinc/27/73/29/168277329.db2.gz UDOGLLJJYIBIGX-GOSISDBHSA-N 2 2 333.382 3.147 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851064 168277331 /nfs/dbraw/zinc/27/73/31/168277331.db2.gz UDOGLLJJYIBIGX-GOSISDBHSA-N 2 2 333.382 3.147 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851064 168277333 /nfs/dbraw/zinc/27/73/33/168277333.db2.gz UDOGLLJJYIBIGX-GOSISDBHSA-N 2 2 333.382 3.147 20 0 EGADLP CC(C)n1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967109 168290538 /nfs/dbraw/zinc/29/05/38/168290538.db2.gz SYQNJDFTKJJUMP-SFTDATJTSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967109 168290542 /nfs/dbraw/zinc/29/05/42/168290542.db2.gz SYQNJDFTKJJUMP-SFTDATJTSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967109 168290544 /nfs/dbraw/zinc/29/05/44/168290544.db2.gz SYQNJDFTKJJUMP-SFTDATJTSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367967109 168290545 /nfs/dbraw/zinc/29/05/45/168290545.db2.gz SYQNJDFTKJJUMP-SFTDATJTSA-N 2 2 338.499 3.418 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122856728 222172634 /nfs/dbraw/zinc/17/26/34/222172634.db2.gz WVWKAMLDAWESDG-SJLPKXTDSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122856728 222172637 /nfs/dbraw/zinc/17/26/37/222172637.db2.gz WVWKAMLDAWESDG-SJLPKXTDSA-N 2 2 326.444 3.022 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180125414 265396252 /nfs/dbraw/zinc/39/62/52/265396252.db2.gz BMEHKWHGYIWYIN-KLAILNCOSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180125414 265396255 /nfs/dbraw/zinc/39/62/55/265396255.db2.gz BMEHKWHGYIWYIN-KLAILNCOSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194362353 266110838 /nfs/dbraw/zinc/11/08/38/266110838.db2.gz BSRPJYWYJYJWQA-HUUCEWRRSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1cccc(-n2cc[nH+]c2)c1 ZINC000237446433 266234984 /nfs/dbraw/zinc/23/49/84/266234984.db2.gz BTZYFLAYLNBIJH-IPELMVKDSA-N 2 2 340.471 3.347 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cncc(Br)c2)CC1 ZINC000263757708 266266591 /nfs/dbraw/zinc/26/65/91/266266591.db2.gz UCLSAVPLSNKACI-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cncc(Br)c2)CC1 ZINC000263757708 266266595 /nfs/dbraw/zinc/26/65/95/266266595.db2.gz UCLSAVPLSNKACI-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000273325034 267020267 /nfs/dbraw/zinc/02/02/67/267020267.db2.gz XOUAOTRREDUFDH-ILXRZTDVSA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000273325034 267020269 /nfs/dbraw/zinc/02/02/69/267020269.db2.gz XOUAOTRREDUFDH-ILXRZTDVSA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000274246416 267205494 /nfs/dbraw/zinc/20/54/94/267205494.db2.gz XSHNNTYNLPKJSY-CYBMUJFWSA-N 2 2 340.414 3.033 20 0 EGADLP Brc1c[nH+]ccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000274334642 267219424 /nfs/dbraw/zinc/21/94/24/267219424.db2.gz GTKQVXHXXWFAFZ-UHFFFAOYSA-N 2 2 333.233 3.451 20 0 EGADLP C[C@H]([NH2+][C@H](CCO)c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274792384 267287359 /nfs/dbraw/zinc/28/73/59/267287359.db2.gz SAHQVWXFIOHWIK-YTQUADARSA-N 2 2 328.456 3.203 20 0 EGADLP C[C@H]([NH2+][C@H](CCO)c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274792384 267287363 /nfs/dbraw/zinc/28/73/63/267287363.db2.gz SAHQVWXFIOHWIK-YTQUADARSA-N 2 2 328.456 3.203 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924629 267306538 /nfs/dbraw/zinc/30/65/38/267306538.db2.gz PPWITBKFPGHSBP-IEBWSBKVSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924629 267306542 /nfs/dbraw/zinc/30/65/42/267306542.db2.gz PPWITBKFPGHSBP-IEBWSBKVSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950312 267310131 /nfs/dbraw/zinc/31/01/31/267310131.db2.gz UZVBCWPXAFYZSD-QUCCMNQESA-N 3 2 348.494 3.377 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274950312 267310133 /nfs/dbraw/zinc/31/01/33/267310133.db2.gz UZVBCWPXAFYZSD-QUCCMNQESA-N 3 2 348.494 3.377 20 0 EGADLP CCSc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000275116463 267319653 /nfs/dbraw/zinc/31/96/53/267319653.db2.gz JEJIWHGEZGTRMA-UHFFFAOYSA-N 2 2 328.485 3.347 20 0 EGADLP CC(C)Cc1ncc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000275519213 267373722 /nfs/dbraw/zinc/37/37/22/267373722.db2.gz KZTRKSBRZKHWDI-CJNGLKHVSA-N 2 2 334.489 3.085 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000093299465 273775329 /nfs/dbraw/zinc/77/53/29/273775329.db2.gz SWBMTRVHMMGTHP-HNNXBMFYSA-N 2 2 341.455 3.189 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000119863324 274092098 /nfs/dbraw/zinc/09/20/98/274092098.db2.gz PFIRJTSGYDZBSP-PXNSSMCTSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000119863324 274092100 /nfs/dbraw/zinc/09/21/00/274092100.db2.gz PFIRJTSGYDZBSP-PXNSSMCTSA-N 2 2 339.483 3.399 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000132281771 274107995 /nfs/dbraw/zinc/10/79/95/274107995.db2.gz BFZHMBITYBUUHW-UTKZUKDTSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000132281771 274107997 /nfs/dbraw/zinc/10/79/97/274107997.db2.gz BFZHMBITYBUUHW-UTKZUKDTSA-N 2 2 339.483 3.133 20 0 EGADLP CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc2[nH+]ccn21 ZINC000271771035 275238209 /nfs/dbraw/zinc/23/82/09/275238209.db2.gz FEKITOBCGNMJLD-UHFFFAOYSA-N 2 2 325.412 3.374 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc2[nH+]ccn21 ZINC000271771035 275238212 /nfs/dbraw/zinc/23/82/12/275238212.db2.gz FEKITOBCGNMJLD-UHFFFAOYSA-N 2 2 325.412 3.374 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)C1 ZINC000279293502 275320046 /nfs/dbraw/zinc/32/00/46/275320046.db2.gz YXHQXRINNPWZMU-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)C1 ZINC000279293502 275320047 /nfs/dbraw/zinc/32/00/47/275320047.db2.gz YXHQXRINNPWZMU-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCN3CC=CCC3)CC2)cc1 ZINC000279778339 275358718 /nfs/dbraw/zinc/35/87/18/275358718.db2.gz LBWPUGPHQKXUFJ-UHFFFAOYSA-N 2 2 333.907 3.156 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000338012358 275372447 /nfs/dbraw/zinc/37/24/47/275372447.db2.gz LXUAQNHNUNIYLM-DZGCQCFKSA-N 2 2 332.245 3.238 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@@H]1C ZINC000280013140 275391290 /nfs/dbraw/zinc/39/12/90/275391290.db2.gz SPGKVASOBUOYRW-QLFBSQMISA-N 2 2 329.444 3.063 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000281224563 275531497 /nfs/dbraw/zinc/53/14/97/275531497.db2.gz DICBMZVYISFFGU-UHFFFAOYSA-N 2 2 325.460 3.382 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC000286860256 276051146 /nfs/dbraw/zinc/05/11/46/276051146.db2.gz AGFAMNHSLVMOLC-FVQBIDKESA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000286860256 276051148 /nfs/dbraw/zinc/05/11/48/276051148.db2.gz AGFAMNHSLVMOLC-FVQBIDKESA-N 2 2 330.394 3.206 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000287431548 276119328 /nfs/dbraw/zinc/11/93/28/276119328.db2.gz GQCNAICPHLDZLR-UHFFFAOYSA-N 2 2 344.484 3.152 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000287706729 276149278 /nfs/dbraw/zinc/14/92/78/276149278.db2.gz ZXRCSWWEVYZLPY-UHFFFAOYSA-N 2 2 338.455 3.438 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000287706729 276149281 /nfs/dbraw/zinc/14/92/81/276149281.db2.gz ZXRCSWWEVYZLPY-UHFFFAOYSA-N 2 2 338.455 3.438 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)[NH+](C)C)cc1 ZINC000287720479 276150746 /nfs/dbraw/zinc/15/07/46/276150746.db2.gz OPNHEMFJMDQOKY-OWCLPIDISA-N 2 2 330.394 3.297 20 0 EGADLP COCCOCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000289064490 276286134 /nfs/dbraw/zinc/28/61/34/276286134.db2.gz JGXSJYNIEVSXGQ-UHFFFAOYSA-N 2 2 346.515 3.300 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000289243470 276310178 /nfs/dbraw/zinc/31/01/78/276310178.db2.gz LGBRYGMSQULWKH-UHFFFAOYSA-N 2 2 331.504 3.339 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000289251971 276311438 /nfs/dbraw/zinc/31/14/38/276311438.db2.gz BNOKZZVSDCFHDR-INIZCTEOSA-N 2 2 342.491 3.008 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000289251971 276311439 /nfs/dbraw/zinc/31/14/39/276311439.db2.gz BNOKZZVSDCFHDR-INIZCTEOSA-N 2 2 342.491 3.008 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCOCC1 ZINC000289297871 276318060 /nfs/dbraw/zinc/31/80/60/276318060.db2.gz RTIQYPZJCBXWAW-HNAYVOBHSA-N 2 2 327.472 3.103 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000289362423 276327929 /nfs/dbraw/zinc/32/79/29/276327929.db2.gz YVKZTMVSVYWADG-QGZVFWFLSA-N 2 2 325.460 3.198 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000289362423 276327932 /nfs/dbraw/zinc/32/79/32/276327932.db2.gz YVKZTMVSVYWADG-QGZVFWFLSA-N 2 2 325.460 3.198 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387873 276331580 /nfs/dbraw/zinc/33/15/80/276331580.db2.gz QNXVYLDRTDQTAE-YLJYHZDGSA-N 2 2 327.472 3.150 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387873 276331581 /nfs/dbraw/zinc/33/15/81/276331581.db2.gz QNXVYLDRTDQTAE-YLJYHZDGSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387873 276331584 /nfs/dbraw/zinc/33/15/84/276331584.db2.gz QNXVYLDRTDQTAE-YLJYHZDGSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387873 276331586 /nfs/dbraw/zinc/33/15/86/276331586.db2.gz QNXVYLDRTDQTAE-YLJYHZDGSA-N 2 2 327.472 3.150 20 0 EGADLP OCc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000289447504 276340462 /nfs/dbraw/zinc/34/04/62/276340462.db2.gz BJJFNPKPEGNQAI-SFHVURJKSA-N 2 2 328.456 3.164 20 0 EGADLP OCc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000289447504 276340463 /nfs/dbraw/zinc/34/04/63/276340463.db2.gz BJJFNPKPEGNQAI-SFHVURJKSA-N 2 2 328.456 3.164 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000289459873 276342236 /nfs/dbraw/zinc/34/22/36/276342236.db2.gz GCPPCTPSWGOQKL-GUYCJALGSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289459873 276342237 /nfs/dbraw/zinc/34/22/37/276342237.db2.gz GCPPCTPSWGOQKL-GUYCJALGSA-N 2 2 345.512 3.224 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000289548240 276356238 /nfs/dbraw/zinc/35/62/38/276356238.db2.gz GCFIMSIEZXCBSL-DUXHTMCSSA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000289548240 276356240 /nfs/dbraw/zinc/35/62/40/276356240.db2.gz GCFIMSIEZXCBSL-DUXHTMCSSA-N 2 2 336.426 3.022 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000157481021 276358793 /nfs/dbraw/zinc/35/87/93/276358793.db2.gz UJHHPIBGNYNAAO-UHFFFAOYSA-N 2 2 331.504 3.473 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000157481021 276358794 /nfs/dbraw/zinc/35/87/94/276358794.db2.gz UJHHPIBGNYNAAO-UHFFFAOYSA-N 2 2 331.504 3.473 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1OC(F)F ZINC000093770078 276380062 /nfs/dbraw/zinc/38/00/62/276380062.db2.gz KPNDJVQTARJWFD-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1OC(F)F ZINC000093770078 276380065 /nfs/dbraw/zinc/38/00/65/276380065.db2.gz KPNDJVQTARJWFD-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1OC(F)F ZINC000093770078 276380066 /nfs/dbraw/zinc/38/00/66/276380066.db2.gz KPNDJVQTARJWFD-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1OC(F)F ZINC000093770078 276380068 /nfs/dbraw/zinc/38/00/68/276380068.db2.gz KPNDJVQTARJWFD-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP Cn1cnc2cc(C[N@H+](C)CCC[NH+](C)Cc3ccco3)ccc21 ZINC000289800637 276397091 /nfs/dbraw/zinc/39/70/91/276397091.db2.gz MTUYKOFWHFGUOD-UHFFFAOYSA-N 2 2 326.444 3.120 20 0 EGADLP Cn1cnc2cc(C[N@@H+](C)CCC[NH+](C)Cc3ccco3)ccc21 ZINC000289800637 276397093 /nfs/dbraw/zinc/39/70/93/276397093.db2.gz MTUYKOFWHFGUOD-UHFFFAOYSA-N 2 2 326.444 3.120 20 0 EGADLP Cn1cnc2cc(C[NH+](C)CCC[N@@H+](C)Cc3ccco3)ccc21 ZINC000289800637 276397098 /nfs/dbraw/zinc/39/70/98/276397098.db2.gz MTUYKOFWHFGUOD-UHFFFAOYSA-N 2 2 326.444 3.120 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000353342439 277559798 /nfs/dbraw/zinc/55/97/98/277559798.db2.gz FJXIOJKOMJMEPU-HNNXBMFYSA-N 2 2 342.549 3.058 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000353426293 277975992 /nfs/dbraw/zinc/97/59/92/277975992.db2.gz IZDUDVUSYDFNCM-HNAYVOBHSA-N 2 2 340.471 3.335 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000343895296 278047909 /nfs/dbraw/zinc/04/79/09/278047909.db2.gz VSYZNMRHLDSLSJ-JSGCOSHPSA-N 2 2 328.460 3.197 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000342700712 278049221 /nfs/dbraw/zinc/04/92/21/278049221.db2.gz JADWILHUYHXDQO-DZGCQCFKSA-N 2 2 326.444 3.089 20 0 EGADLP C[C@H](c1ccccc1Br)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340710925 278312216 /nfs/dbraw/zinc/31/22/16/278312216.db2.gz HPUDPILOODVSGS-CYBMUJFWSA-N 2 2 349.276 3.066 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccsc2S1 ZINC000151279315 280010576 /nfs/dbraw/zinc/01/05/76/280010576.db2.gz CIRQKLDPRDYENX-GUTXKFCHSA-N 2 2 326.531 3.110 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000348336182 280080033 /nfs/dbraw/zinc/08/00/33/280080033.db2.gz SAOUUDCHOAAKPT-YJYMSZOUSA-N 2 2 327.403 3.301 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cn21 ZINC000185723200 281317467 /nfs/dbraw/zinc/31/74/67/281317467.db2.gz UERFKYDABJMOJO-DLBZAZTESA-N 2 2 326.488 3.385 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cn21 ZINC000185723200 281317469 /nfs/dbraw/zinc/31/74/69/281317469.db2.gz UERFKYDABJMOJO-DLBZAZTESA-N 2 2 326.488 3.385 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000369700872 288723473 /nfs/dbraw/zinc/72/34/73/288723473.db2.gz CFFGXJPQRUDVCG-KRWDZBQOSA-N 2 2 347.507 3.016 20 0 EGADLP COC[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000374241591 293149602 /nfs/dbraw/zinc/14/96/02/293149602.db2.gz ODXHCSMVMMXKSU-IBGZPJMESA-N 2 2 338.536 3.064 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245590604 293151822 /nfs/dbraw/zinc/15/18/22/293151822.db2.gz LBQXPOKGCNPJAG-JCGIZDLHSA-N 2 2 340.870 3.487 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245590604 293151824 /nfs/dbraw/zinc/15/18/24/293151824.db2.gz LBQXPOKGCNPJAG-JCGIZDLHSA-N 2 2 340.870 3.487 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000352526699 302103127 /nfs/dbraw/zinc/10/31/27/302103127.db2.gz QRDNRTBKXZHLJL-UHFFFAOYSA-N 2 2 342.487 3.310 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@@H+](CCC[NH3+])CC2CCCC2)n1 ZINC000352526699 302103129 /nfs/dbraw/zinc/10/31/29/302103129.db2.gz QRDNRTBKXZHLJL-UHFFFAOYSA-N 2 2 342.487 3.310 20 0 EGADLP c1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)cc1 ZINC000193937864 304856099 /nfs/dbraw/zinc/85/60/99/304856099.db2.gz JZMFCMVGPAJBOD-IYWMVGAKSA-N 2 2 326.484 3.371 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000069286863 307374624 /nfs/dbraw/zinc/37/46/24/307374624.db2.gz KOUQBQSWTRSRHQ-CYBMUJFWSA-N 2 2 326.387 3.013 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000069286863 307374626 /nfs/dbraw/zinc/37/46/26/307374626.db2.gz KOUQBQSWTRSRHQ-CYBMUJFWSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000414103067 309060963 /nfs/dbraw/zinc/06/09/63/309060963.db2.gz NFSLGQJFVUOHKF-IAGOWNOFSA-N 2 2 327.472 3.131 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000414103067 309060964 /nfs/dbraw/zinc/06/09/64/309060964.db2.gz NFSLGQJFVUOHKF-IAGOWNOFSA-N 2 2 327.472 3.131 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414110173 309061556 /nfs/dbraw/zinc/06/15/56/309061556.db2.gz HWOQSIYYNBQKNL-BHIYHBOVSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414110173 309061557 /nfs/dbraw/zinc/06/15/57/309061557.db2.gz HWOQSIYYNBQKNL-BHIYHBOVSA-N 2 2 335.923 3.202 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000414129701 309062605 /nfs/dbraw/zinc/06/26/05/309062605.db2.gz VGPOTWZMSNNRSH-ZWOKBUDYSA-N 2 2 339.483 3.446 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000414129701 309062606 /nfs/dbraw/zinc/06/26/06/309062606.db2.gz VGPOTWZMSNNRSH-ZWOKBUDYSA-N 2 2 339.483 3.446 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414135500 309062834 /nfs/dbraw/zinc/06/28/34/309062834.db2.gz IFKWIRKVILGIFE-NZSAHSFTSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414135500 309062835 /nfs/dbraw/zinc/06/28/35/309062835.db2.gz IFKWIRKVILGIFE-NZSAHSFTSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000138178994 307719398 /nfs/dbraw/zinc/71/93/98/307719398.db2.gz OFBOWZCODAZMHD-QUCCMNQESA-N 2 2 326.488 3.334 20 0 EGADLP CC1(C)[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)[C@@H]2CCCO[C@H]21 ZINC000245939912 307962394 /nfs/dbraw/zinc/96/23/94/307962394.db2.gz USIGGNBNMRUOLS-GVDBMIGSSA-N 2 2 338.561 3.141 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416195 309078825 /nfs/dbraw/zinc/07/88/25/309078825.db2.gz WEARJEJFMJXUPX-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416195 309078826 /nfs/dbraw/zinc/07/88/26/309078826.db2.gz WEARJEJFMJXUPX-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000414416195 309078827 /nfs/dbraw/zinc/07/88/27/309078827.db2.gz WEARJEJFMJXUPX-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nn1 ZINC000414416195 309078828 /nfs/dbraw/zinc/07/88/28/309078828.db2.gz WEARJEJFMJXUPX-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)n1C ZINC000414397596 309077620 /nfs/dbraw/zinc/07/76/20/309077620.db2.gz UHZONZZYRVJJSG-IBGZPJMESA-N 2 2 342.487 3.060 20 0 EGADLP Fc1ccc(CC2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)cc1 ZINC000292932168 308081373 /nfs/dbraw/zinc/08/13/73/308081373.db2.gz JCRIIZOOFLONPI-UHFFFAOYSA-N 2 2 339.414 3.355 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000293574442 308143236 /nfs/dbraw/zinc/14/32/36/308143236.db2.gz NDYZXOMZKUDWCA-GOEBONIOSA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Cl)[C@@H](C)C1 ZINC000293574442 308143237 /nfs/dbraw/zinc/14/32/37/308143237.db2.gz NDYZXOMZKUDWCA-GOEBONIOSA-N 2 2 340.895 3.272 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911627 308172955 /nfs/dbraw/zinc/17/29/55/308172955.db2.gz WXRSEDJUQDNQFI-CRAIPNDOSA-N 2 2 331.460 3.168 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911627 308172957 /nfs/dbraw/zinc/17/29/57/308172957.db2.gz WXRSEDJUQDNQFI-CRAIPNDOSA-N 2 2 331.460 3.168 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[NH+](CC)CC)cc1 ZINC000294721614 308249354 /nfs/dbraw/zinc/24/93/54/308249354.db2.gz WPVGDDOBRFGZBV-LJQANCHMSA-N 2 2 342.487 3.022 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)Cc2[nH+]c[nH]c2C)[NH+](CC)CC)cc1 ZINC000294721614 308249355 /nfs/dbraw/zinc/24/93/55/308249355.db2.gz WPVGDDOBRFGZBV-LJQANCHMSA-N 2 2 342.487 3.022 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000294899203 308269367 /nfs/dbraw/zinc/26/93/67/308269367.db2.gz HZOQJEOCOZXWAM-ZDUSSCGKSA-N 2 2 333.819 3.229 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Cl ZINC000294899203 308269368 /nfs/dbraw/zinc/26/93/68/308269368.db2.gz HZOQJEOCOZXWAM-ZDUSSCGKSA-N 2 2 333.819 3.229 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414657063 309094022 /nfs/dbraw/zinc/09/40/22/309094022.db2.gz JIBLYMNTASHSMW-OAHLLOKOSA-N 2 2 338.430 3.457 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414657063 309094023 /nfs/dbraw/zinc/09/40/23/309094023.db2.gz JIBLYMNTASHSMW-OAHLLOKOSA-N 2 2 338.430 3.457 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958888 308378857 /nfs/dbraw/zinc/37/88/57/308378857.db2.gz HRWKLPGOPUBZOS-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958888 308378859 /nfs/dbraw/zinc/37/88/59/308378859.db2.gz HRWKLPGOPUBZOS-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(F)c1Br ZINC000295958888 308378861 /nfs/dbraw/zinc/37/88/61/308378861.db2.gz HRWKLPGOPUBZOS-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(F)c1Br ZINC000295958888 308378863 /nfs/dbraw/zinc/37/88/63/308378863.db2.gz HRWKLPGOPUBZOS-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414743514 309098488 /nfs/dbraw/zinc/09/84/88/309098488.db2.gz HGMHKQYQYZDKDC-RDJZCZTQSA-N 3 2 326.488 3.370 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766264 309099518 /nfs/dbraw/zinc/09/95/18/309099518.db2.gz HJPDVFNWXITNNJ-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766264 309099519 /nfs/dbraw/zinc/09/95/19/309099519.db2.gz HJPDVFNWXITNNJ-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414776773 309100247 /nfs/dbraw/zinc/10/02/47/309100247.db2.gz HRQHBWXZZKWPRV-ZDUSSCGKSA-N 2 2 346.368 3.032 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414776773 309100248 /nfs/dbraw/zinc/10/02/48/309100248.db2.gz HRQHBWXZZKWPRV-ZDUSSCGKSA-N 2 2 346.368 3.032 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)sc2C1 ZINC000414814010 309103365 /nfs/dbraw/zinc/10/33/65/309103365.db2.gz VADBVKWOLOSFSU-CQSZACIVSA-N 3 2 344.528 3.219 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)sc2C1 ZINC000414814010 309103366 /nfs/dbraw/zinc/10/33/66/309103366.db2.gz VADBVKWOLOSFSU-CQSZACIVSA-N 3 2 344.528 3.219 20 0 EGADLP Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301659065 308709406 /nfs/dbraw/zinc/70/94/06/308709406.db2.gz TUDLAALQCRUIMR-IRXDYDNUSA-N 2 2 346.519 3.234 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000301762947 308714143 /nfs/dbraw/zinc/71/41/43/308714143.db2.gz MPVRZCUYGZAXFJ-AWEZNQCLSA-N 2 2 345.878 3.079 20 0 EGADLP Nc1nc(NCCc2[nH+]ccn2Cc2ccccc2)[nH+]c2ccccc12 ZINC000301790411 308715381 /nfs/dbraw/zinc/71/53/81/308715381.db2.gz QKLGEISWVZKMBL-UHFFFAOYSA-N 2 2 344.422 3.111 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315697218 308766208 /nfs/dbraw/zinc/76/62/08/308766208.db2.gz JXLDLQBTOIVHLV-UHFFFAOYSA-N 2 2 327.266 3.117 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000411502457 308941679 /nfs/dbraw/zinc/94/16/79/308941679.db2.gz JAYPRRXDRYWALJ-UHFFFAOYSA-N 2 2 347.484 3.424 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@H](CNc3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000413118226 309017018 /nfs/dbraw/zinc/01/70/18/309017018.db2.gz KLONIOJVHBLKFO-QGZVFWFLSA-N 2 2 337.471 3.027 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@H](CNc3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000413118226 309017019 /nfs/dbraw/zinc/01/70/19/309017019.db2.gz KLONIOJVHBLKFO-QGZVFWFLSA-N 2 2 337.471 3.027 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@H](CNc3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000413118226 309017020 /nfs/dbraw/zinc/01/70/20/309017020.db2.gz KLONIOJVHBLKFO-QGZVFWFLSA-N 2 2 337.471 3.027 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@H](CNc3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000413118226 309017021 /nfs/dbraw/zinc/01/70/21/309017021.db2.gz KLONIOJVHBLKFO-QGZVFWFLSA-N 2 2 337.471 3.027 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)c(-c2ccccc2)cc1OC ZINC000414849406 309105526 /nfs/dbraw/zinc/10/55/26/309105526.db2.gz RBUBFYGZAVOQHM-QGZVFWFLSA-N 2 2 326.440 3.212 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414870394 309106406 /nfs/dbraw/zinc/10/64/06/309106406.db2.gz SMKIDQPFOAVNFO-GOSISDBHSA-N 2 2 326.440 3.116 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414875487 309106678 /nfs/dbraw/zinc/10/66/78/309106678.db2.gz ULSQIOOWTYTSDR-UHFFFAOYSA-N 2 2 335.455 3.024 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1OCc1ccc(Cl)cc1 ZINC000414878624 309106855 /nfs/dbraw/zinc/10/68/55/309106855.db2.gz HQFCROOERZVCOV-QGZVFWFLSA-N 2 2 346.858 3.379 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000414904391 309108469 /nfs/dbraw/zinc/10/84/69/309108469.db2.gz JWYLIPLTSOXYCI-LJQANCHMSA-N 3 2 335.923 3.284 20 0 EGADLP COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414948927 309110876 /nfs/dbraw/zinc/11/08/76/309110876.db2.gz MXBYFGNKIODOAH-APWZRJJASA-N 2 2 332.394 3.209 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000414953961 309111043 /nfs/dbraw/zinc/11/10/43/309111043.db2.gz SDGUBWUHLUSGDQ-FZKQIMNGSA-N 2 2 338.348 3.478 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414966358 309112132 /nfs/dbraw/zinc/11/21/32/309112132.db2.gz WNEKAGYZRCNZLY-CYBMUJFWSA-N 2 2 327.875 3.031 20 0 EGADLP CC[NH2+][C@H](C)CNC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000414966358 309112133 /nfs/dbraw/zinc/11/21/33/309112133.db2.gz WNEKAGYZRCNZLY-CYBMUJFWSA-N 2 2 327.875 3.031 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1OC(C)C ZINC000415038507 309115766 /nfs/dbraw/zinc/11/57/66/309115766.db2.gz HVMORJDUWXEONC-RBUKOAKNSA-N 2 2 340.467 3.328 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071264 309118384 /nfs/dbraw/zinc/11/83/84/309118384.db2.gz WIMCCCZLGBHSTB-LJQANCHMSA-N 2 2 325.456 3.364 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129290 309122530 /nfs/dbraw/zinc/12/25/30/309122530.db2.gz PDWIUMJGLPUDPE-GXTWGEPZSA-N 2 2 326.868 3.164 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129290 309122531 /nfs/dbraw/zinc/12/25/31/309122531.db2.gz PDWIUMJGLPUDPE-GXTWGEPZSA-N 2 2 326.868 3.164 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000415131950 309122713 /nfs/dbraw/zinc/12/27/13/309122713.db2.gz KIRGBDDAARQXIP-UHFFFAOYSA-N 2 2 326.488 3.266 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000415131950 309122714 /nfs/dbraw/zinc/12/27/14/309122714.db2.gz KIRGBDDAARQXIP-UHFFFAOYSA-N 2 2 326.488 3.266 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]([NH3+])CC)c1 ZINC000415290012 309130028 /nfs/dbraw/zinc/13/00/28/309130028.db2.gz BJFRTZROKYQWLP-HNNXBMFYSA-N 2 2 329.448 3.209 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000415730627 309142508 /nfs/dbraw/zinc/14/25/08/309142508.db2.gz DPUKCOPMWBHIBC-QGZVFWFLSA-N 2 2 326.444 3.391 20 0 EGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccccc3OC(F)F)cs2)CC1 ZINC000416399331 309171013 /nfs/dbraw/zinc/17/10/13/309171013.db2.gz GXGWAPHLDJKYLK-UHFFFAOYSA-N 2 2 339.411 3.335 20 0 EGADLP CCn1c[nH+]cc1CNc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000417809424 309223446 /nfs/dbraw/zinc/22/34/46/309223446.db2.gz BACIYONMKLFLKY-UHFFFAOYSA-N 2 2 327.476 3.046 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)[NH+](C)C)cc1 ZINC000417870405 309226006 /nfs/dbraw/zinc/22/60/06/309226006.db2.gz FUVFRXCHDUXFJH-HXUWFJFHSA-N 2 2 339.483 3.089 20 0 EGADLP CCn1c[nH+]cc1CNc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000418031006 309232381 /nfs/dbraw/zinc/23/23/81/309232381.db2.gz KZSSQIZTYMCTNG-UHFFFAOYSA-N 2 2 341.503 3.354 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418369636 309244421 /nfs/dbraw/zinc/24/44/21/309244421.db2.gz UOFJJNUYEOODSH-SJORKVTESA-N 2 2 347.507 3.047 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420286812 309279442 /nfs/dbraw/zinc/27/94/42/309279442.db2.gz FQSSOICOWKMTBR-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420286812 309279443 /nfs/dbraw/zinc/27/94/43/309279443.db2.gz FQSSOICOWKMTBR-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420292326 309279636 /nfs/dbraw/zinc/27/96/36/309279636.db2.gz PGRYKCHXIJMRPV-VDGAXYAQSA-N 2 2 337.467 3.344 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420292326 309279637 /nfs/dbraw/zinc/27/96/37/309279637.db2.gz PGRYKCHXIJMRPV-VDGAXYAQSA-N 2 2 337.467 3.344 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300632 309280225 /nfs/dbraw/zinc/28/02/25/309280225.db2.gz VBRYWNHRJYQRIY-FXAWDEMLSA-N 2 2 337.467 3.216 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300632 309280226 /nfs/dbraw/zinc/28/02/26/309280226.db2.gz VBRYWNHRJYQRIY-FXAWDEMLSA-N 2 2 337.467 3.216 20 0 EGADLP CC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000420308482 309280854 /nfs/dbraw/zinc/28/08/54/309280854.db2.gz KGUUEOBQBGSOTR-INIZCTEOSA-N 2 2 344.459 3.018 20 0 EGADLP CC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000420308482 309280855 /nfs/dbraw/zinc/28/08/55/309280855.db2.gz KGUUEOBQBGSOTR-INIZCTEOSA-N 2 2 344.459 3.018 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000420325808 309282279 /nfs/dbraw/zinc/28/22/79/309282279.db2.gz BVELAJLEUDSWLQ-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000420325808 309282280 /nfs/dbraw/zinc/28/22/80/309282280.db2.gz BVELAJLEUDSWLQ-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP CC(C)(C)c1ccc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420362985 309284302 /nfs/dbraw/zinc/28/43/02/309284302.db2.gz OPPUJUFVXCHHNT-SFHVURJKSA-N 2 2 331.504 3.420 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420389218 309285985 /nfs/dbraw/zinc/28/59/85/309285985.db2.gz HHSPQUADHDLXEY-RTBURBONSA-N 2 2 343.515 3.214 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420389218 309285986 /nfs/dbraw/zinc/28/59/86/309285986.db2.gz HHSPQUADHDLXEY-RTBURBONSA-N 2 2 343.515 3.214 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420402650 309286451 /nfs/dbraw/zinc/28/64/51/309286451.db2.gz KEEIIUSUIUWIGQ-DYEKYZERSA-N 2 2 334.851 3.368 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420402650 309286452 /nfs/dbraw/zinc/28/64/52/309286452.db2.gz KEEIIUSUIUWIGQ-DYEKYZERSA-N 2 2 334.851 3.368 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)c1C ZINC000420413369 309287051 /nfs/dbraw/zinc/28/70/51/309287051.db2.gz ZWQOMGFOYQTGBQ-HOTGVXAUSA-N 2 2 335.517 3.076 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)c1C ZINC000420413369 309287052 /nfs/dbraw/zinc/28/70/52/309287052.db2.gz ZWQOMGFOYQTGBQ-HOTGVXAUSA-N 2 2 335.517 3.076 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000420629513 309290867 /nfs/dbraw/zinc/29/08/67/309290867.db2.gz QWSUQOYTGNPIBK-UHFFFAOYSA-N 2 2 342.487 3.133 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000420629513 309290868 /nfs/dbraw/zinc/29/08/68/309290868.db2.gz QWSUQOYTGNPIBK-UHFFFAOYSA-N 2 2 342.487 3.133 20 0 EGADLP Cc1cc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000420805652 309295758 /nfs/dbraw/zinc/29/57/58/309295758.db2.gz OVCWDMIDQBXFOL-LIRRHRJNSA-N 2 2 332.492 3.008 20 0 EGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1F ZINC000420901956 309300066 /nfs/dbraw/zinc/30/00/66/309300066.db2.gz MEAWYZADZYQSBY-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1F ZINC000420901956 309300067 /nfs/dbraw/zinc/30/00/67/309300067.db2.gz MEAWYZADZYQSBY-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP Cc1ccc(C(C)(C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000420922488 309301095 /nfs/dbraw/zinc/30/10/95/309301095.db2.gz ONBKOYGVVRAJBN-UHFFFAOYSA-N 2 2 339.483 3.247 20 0 EGADLP C[C@H]1Cc2[nH+]cn(Cc3ccc(C[NH+]4CCOCC4)cc3)c2C[C@@H]1C ZINC000420970849 309305082 /nfs/dbraw/zinc/30/50/82/309305082.db2.gz JISQTPPWEKMGEZ-IRXDYDNUSA-N 2 2 339.483 3.134 20 0 EGADLP COCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000420967932 309305121 /nfs/dbraw/zinc/30/51/21/309305121.db2.gz UWJYOVQTJFDUFH-LJQANCHMSA-N 2 2 334.504 3.060 20 0 EGADLP O[C@H](C[NH2+]Cc1cccc(C2CC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000421332938 309318887 /nfs/dbraw/zinc/31/88/87/309318887.db2.gz MVAKLGSXTHINHF-JOCHJYFZSA-N 2 2 336.479 3.073 20 0 EGADLP O[C@H](C[NH2+]Cc1cccc(C2CC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000421332938 309318888 /nfs/dbraw/zinc/31/88/88/309318888.db2.gz MVAKLGSXTHINHF-JOCHJYFZSA-N 2 2 336.479 3.073 20 0 EGADLP Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000421706021 309335744 /nfs/dbraw/zinc/33/57/44/309335744.db2.gz TXCIFJPCMVWCQL-QGZVFWFLSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1Oc1cc[nH+]cc1 ZINC000421706021 309335745 /nfs/dbraw/zinc/33/57/45/309335745.db2.gz TXCIFJPCMVWCQL-QGZVFWFLSA-N 2 2 339.439 3.349 20 0 EGADLP c1cnc2c(c1)CC[C@@H]([NH2+]CC1([NH+]3CCSCC3)CCCC1)CC2 ZINC000421820062 309341445 /nfs/dbraw/zinc/34/14/45/309341445.db2.gz KMEGHKRNEXJBIS-GOSISDBHSA-N 2 2 345.556 3.280 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2F)C(C)C)CC1 ZINC000421826809 309341884 /nfs/dbraw/zinc/34/18/84/309341884.db2.gz UTZLXVCPHPULTA-LJQANCHMSA-N 2 2 338.467 3.232 20 0 EGADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccncc1Cl ZINC000421852718 309343470 /nfs/dbraw/zinc/34/34/70/309343470.db2.gz INUJKUBMLNVSPW-AWEZNQCLSA-N 2 2 348.878 3.311 20 0 EGADLP COC1([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000421890590 309345244 /nfs/dbraw/zinc/34/52/44/309345244.db2.gz YANOMBKTUKNPJP-HZPDHXFCSA-N 2 2 329.444 3.107 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)CC1 ZINC000422017652 309351287 /nfs/dbraw/zinc/35/12/87/309351287.db2.gz JOHXOCMAWVCBED-CEXWTWQISA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](C)[C@@H](C)C3)CC2)CC1 ZINC000422017652 309351288 /nfs/dbraw/zinc/35/12/88/309351288.db2.gz JOHXOCMAWVCBED-CEXWTWQISA-N 2 2 349.563 3.077 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc(C)[nH+]1 ZINC000422610340 309362522 /nfs/dbraw/zinc/36/25/22/309362522.db2.gz PQIVIVUNBXFMPY-LJQANCHMSA-N 2 2 340.471 3.321 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422701574 309363858 /nfs/dbraw/zinc/36/38/58/309363858.db2.gz DICWNMSCZAYBRM-OXJNMPFZSA-N 2 2 325.456 3.281 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715351 309364595 /nfs/dbraw/zinc/36/45/95/309364595.db2.gz JDZOECJSSVWPRO-PCCBWWKXSA-N 3 2 345.506 3.300 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721635 309364863 /nfs/dbraw/zinc/36/48/63/309364863.db2.gz VWEAJSRKTPYDQJ-BWAGFHJFSA-N 3 2 335.495 3.285 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721635 309364864 /nfs/dbraw/zinc/36/48/64/309364864.db2.gz VWEAJSRKTPYDQJ-BWAGFHJFSA-N 3 2 335.495 3.285 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422724229 309365129 /nfs/dbraw/zinc/36/51/29/309365129.db2.gz UZPZZDMDWLLJOV-SWLSCSKDSA-N 2 2 326.868 3.368 20 0 EGADLP COc1ccccc1[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000422740225 309366040 /nfs/dbraw/zinc/36/60/40/309366040.db2.gz BEGSHGZNADHRLU-AOIWGVFYSA-N 2 2 333.520 3.198 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422777889 309367739 /nfs/dbraw/zinc/36/77/39/309367739.db2.gz GOHDOWDHSXZPFC-WMZOPIPTSA-N 2 2 326.440 3.336 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422774017 309367755 /nfs/dbraw/zinc/36/77/55/309367755.db2.gz ZSWFRQQGBAYAJX-WSTZPKSXSA-N 3 2 345.531 3.007 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000422789073 309368178 /nfs/dbraw/zinc/36/81/78/309368178.db2.gz SZNDCFSFVCSICY-UIFIKXQLSA-N 2 2 325.500 3.146 20 0 EGADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000422904260 309375490 /nfs/dbraw/zinc/37/54/90/309375490.db2.gz GOBSNJOKSHEVEJ-UKRRQHHQSA-N 2 2 329.469 3.148 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)s1 ZINC000422984683 309379424 /nfs/dbraw/zinc/37/94/24/309379424.db2.gz BFQSPWOBDYUXQI-SDDRHHMPSA-N 2 2 335.300 3.302 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423003675 309380299 /nfs/dbraw/zinc/38/02/99/309380299.db2.gz MWSOBPGLNGHYGT-CJNGLKHVSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008834 309380629 /nfs/dbraw/zinc/38/06/29/309380629.db2.gz BFJZOOODJGFCED-BEFAXECRSA-N 2 2 325.456 3.061 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039050 309382346 /nfs/dbraw/zinc/38/23/46/309382346.db2.gz ZYWLOEODQOGACV-IAGOWNOFSA-N 2 2 342.314 3.427 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])CCO2 ZINC000423050575 309383120 /nfs/dbraw/zinc/38/31/20/309383120.db2.gz MKJFGLPJYHUAKR-ZOCIIQOWSA-N 2 2 326.440 3.067 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000423060882 309383801 /nfs/dbraw/zinc/38/38/01/309383801.db2.gz PPJRFWONZOGUAI-WJPUGNRLSA-N 3 2 340.515 3.499 20 0 EGADLP Fc1ccc(C2CC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423095353 309385752 /nfs/dbraw/zinc/38/57/52/309385752.db2.gz DZYBVAIJTWZGLW-JOCCRWCTSA-N 2 2 338.854 3.082 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC(C(F)(F)F)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423118458 309386881 /nfs/dbraw/zinc/38/68/81/309386881.db2.gz AQDZWIUJGIJJSJ-GMEATFMZSA-N 2 2 328.378 3.419 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423133708 309387637 /nfs/dbraw/zinc/38/76/37/309387637.db2.gz VXSVJJJAZHDMSU-UWVAXJGDSA-N 2 2 334.467 3.481 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144358 309388216 /nfs/dbraw/zinc/38/82/16/309388216.db2.gz YRWXSXBGWPIFPE-ACRUOGEOSA-N 3 2 329.532 3.409 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144358 309388217 /nfs/dbraw/zinc/38/82/17/309388217.db2.gz YRWXSXBGWPIFPE-ACRUOGEOSA-N 3 2 329.532 3.409 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)sc1Br ZINC000423163915 309388936 /nfs/dbraw/zinc/38/89/36/309388936.db2.gz WCFDYWLELBHHDO-SDDRHHMPSA-N 2 2 344.322 3.224 20 0 EGADLP COCCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423183865 309389551 /nfs/dbraw/zinc/38/95/51/309389551.db2.gz ICBFONMVMOXSHT-JKSUJKDBSA-N 2 2 341.293 3.258 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423233647 309391677 /nfs/dbraw/zinc/39/16/77/309391677.db2.gz KHPKXAITRPLABC-ZJUUUORDSA-N 2 2 336.329 3.292 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCCCC1 ZINC000423264299 309392945 /nfs/dbraw/zinc/39/29/45/309392945.db2.gz PUTJQNWSHNKWOI-CBPXPLCBSA-N 3 2 341.543 3.394 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCCCC1 ZINC000423264299 309392946 /nfs/dbraw/zinc/39/29/46/309392946.db2.gz PUTJQNWSHNKWOI-CBPXPLCBSA-N 3 2 341.543 3.394 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(-n2ccnn2)c1 ZINC000423270894 309393310 /nfs/dbraw/zinc/39/33/10/309393310.db2.gz GUWYXRTZGSNYMQ-MRXNPFEDSA-N 2 2 327.476 3.230 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423304480 309394626 /nfs/dbraw/zinc/39/46/26/309394626.db2.gz NZVYLGNOGXBRSP-PVAVHDDUSA-N 2 2 336.451 3.176 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423303526 309394643 /nfs/dbraw/zinc/39/46/43/309394643.db2.gz LYAGSXOMFZMMHI-XSDIEEQYSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423303526 309394644 /nfs/dbraw/zinc/39/46/44/309394644.db2.gz LYAGSXOMFZMMHI-XSDIEEQYSA-N 3 2 327.516 3.019 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H](C)[NH3+] ZINC000423336450 309395667 /nfs/dbraw/zinc/39/56/67/309395667.db2.gz GXTGKQJUXWVVAY-KSSFIOAISA-N 2 2 340.471 3.444 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@H](C)[NH3+] ZINC000423343481 309396127 /nfs/dbraw/zinc/39/61/27/309396127.db2.gz DMYGFZUBZVFQHU-LIRRHRJNSA-N 2 2 340.471 3.444 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@@H](C)C[NH3+])s2)cc1OC ZINC000423368046 309397310 /nfs/dbraw/zinc/39/73/10/309397310.db2.gz MWAVFIOQXRAXRR-NWDGAFQWSA-N 2 2 349.500 3.057 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1I ZINC000423376171 309397719 /nfs/dbraw/zinc/39/77/19/309397719.db2.gz KTLZPKFBOGDICP-IJLUTSLNSA-N 2 2 344.240 3.082 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423384605 309398024 /nfs/dbraw/zinc/39/80/24/309398024.db2.gz QDQFSOCYHKMIGM-INMHGKMJSA-N 2 2 338.467 3.422 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423399416 309398660 /nfs/dbraw/zinc/39/86/60/309398660.db2.gz PMEPGCJKRCMBJQ-KXBFYZLASA-N 2 2 327.472 3.076 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc(Br)c1 ZINC000423410413 309399087 /nfs/dbraw/zinc/39/90/87/309399087.db2.gz AFCDXTSYMJCQRQ-JKSUJKDBSA-N 2 2 341.293 3.258 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@]3(COC)CCC[NH2+]3)oc21 ZINC000423414674 309399303 /nfs/dbraw/zinc/39/93/03/309399303.db2.gz NKJUZLLVDKTJHZ-KUHUBIRLSA-N 2 2 332.444 3.251 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423414837 309399314 /nfs/dbraw/zinc/39/93/14/309399314.db2.gz CPKWBQYQZSIICO-RHSMWYFYSA-N 2 2 328.403 3.097 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCC[NH2+]1 ZINC000423415094 309399326 /nfs/dbraw/zinc/39/93/26/309399326.db2.gz OLCUCQFHLLAHQN-VQTJNVASSA-N 2 2 328.431 3.273 20 0 EGADLP C[C@H]1[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423427069 309399856 /nfs/dbraw/zinc/39/98/56/309399856.db2.gz FQKSXZQNHPTMIJ-LRGNLBRXSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]1[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423427069 309399857 /nfs/dbraw/zinc/39/98/57/309399857.db2.gz FQKSXZQNHPTMIJ-LRGNLBRXSA-N 3 2 327.516 3.017 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000424292122 309436864 /nfs/dbraw/zinc/43/68/64/309436864.db2.gz OBYWTNNVLFIEHU-RTBURBONSA-N 2 2 349.478 3.309 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000424338142 309439658 /nfs/dbraw/zinc/43/96/58/309439658.db2.gz TWGKBMHOBAUODB-MVWJERBFSA-N 2 2 330.259 3.180 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3(CO)CC(c4ccccc4)C3)n2c1 ZINC000433209336 309682515 /nfs/dbraw/zinc/68/25/15/309682515.db2.gz QZXQPUQRZUERFM-UHFFFAOYSA-N 2 2 335.451 3.289 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C)[NH+](C)C ZINC000443012041 309893644 /nfs/dbraw/zinc/89/36/44/309893644.db2.gz RIRLBBLVBVAHLS-QRWLVFNGSA-N 2 2 337.471 3.058 20 0 EGADLP Brc1cccc2c(C[NH2+]CCCn3cc[nH+]c3)ccnc12 ZINC000449062700 310034006 /nfs/dbraw/zinc/03/40/06/310034006.db2.gz JWJBMEVMKFKATC-UHFFFAOYSA-N 2 2 345.244 3.374 20 0 EGADLP Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1F ZINC000449084777 310035914 /nfs/dbraw/zinc/03/59/14/310035914.db2.gz YSGCRQQNFJFKGQ-UHFFFAOYSA-N 2 2 341.474 3.171 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C1 ZINC000449362098 310056676 /nfs/dbraw/zinc/05/66/76/310056676.db2.gz MDCVDQAWROTHLU-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C1 ZINC000449362098 310056677 /nfs/dbraw/zinc/05/66/77/310056677.db2.gz MDCVDQAWROTHLU-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000449383636 310057857 /nfs/dbraw/zinc/05/78/57/310057857.db2.gz IXLJJWJTIJREGL-NRFANRHFSA-N 2 2 344.547 3.146 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387537 310058039 /nfs/dbraw/zinc/05/80/39/310058039.db2.gz LUZQQBXJSQJZPL-KGLIPLIRSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387537 310058040 /nfs/dbraw/zinc/05/80/40/310058040.db2.gz LUZQQBXJSQJZPL-KGLIPLIRSA-N 2 2 330.394 3.203 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388163 310058203 /nfs/dbraw/zinc/05/82/03/310058203.db2.gz OHTKOLKLXMYBTD-UXHICEINSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388163 310058204 /nfs/dbraw/zinc/05/82/04/310058204.db2.gz OHTKOLKLXMYBTD-UXHICEINSA-N 2 2 332.463 3.198 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395150 310058642 /nfs/dbraw/zinc/05/86/42/310058642.db2.gz ICELGRAJMRMFGY-ZIAGYGMSSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395150 310058643 /nfs/dbraw/zinc/05/86/43/310058643.db2.gz ICELGRAJMRMFGY-ZIAGYGMSSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)C1 ZINC000449503950 310067584 /nfs/dbraw/zinc/06/75/84/310067584.db2.gz IOEPRSJWLIYSHP-QAJUQPOASA-N 2 2 328.500 3.209 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)C1 ZINC000449503950 310067585 /nfs/dbraw/zinc/06/75/85/310067585.db2.gz IOEPRSJWLIYSHP-QAJUQPOASA-N 2 2 328.500 3.209 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccn(CCc3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000450587403 310131546 /nfs/dbraw/zinc/13/15/46/310131546.db2.gz DIJSJQRSLHIOII-NQIIRXRSSA-N 2 2 349.482 3.405 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000450587403 310131547 /nfs/dbraw/zinc/13/15/47/310131547.db2.gz DIJSJQRSLHIOII-NQIIRXRSSA-N 2 2 349.482 3.405 20 0 EGADLP C[N@H+](CCCc1ccncc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117161 310213145 /nfs/dbraw/zinc/21/31/45/310213145.db2.gz MWACOKRXPDYYKX-UHFFFAOYSA-N 2 2 329.410 3.363 20 0 EGADLP C[N@@H+](CCCc1ccncc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117161 310213146 /nfs/dbraw/zinc/21/31/46/310213146.db2.gz MWACOKRXPDYYKX-UHFFFAOYSA-N 2 2 329.410 3.363 20 0 EGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1 ZINC000453171388 310262123 /nfs/dbraw/zinc/26/21/23/310262123.db2.gz JFIVCPAPFLYWGZ-ROUUACIJSA-N 2 2 325.460 3.180 20 0 EGADLP Cn1cc[nH+]c1[C@H](NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000453235759 310265895 /nfs/dbraw/zinc/26/58/95/310265895.db2.gz YGQBXVRNCXGSNM-MRXNPFEDSA-N 2 2 332.879 3.237 20 0 EGADLP COC1CC[NH+](C(C)(C)CNC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455487642 310363442 /nfs/dbraw/zinc/36/34/42/310363442.db2.gz TWFFLWVPSJDYIO-UHFFFAOYSA-N 2 2 348.491 3.018 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000482239313 310928757 /nfs/dbraw/zinc/92/87/57/310928757.db2.gz HLBDMQHFSCYRDA-UHFFFAOYSA-N 2 2 338.879 3.479 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H]2CCSC2)CCOCC1)c1ccccc1 ZINC000487294818 311019245 /nfs/dbraw/zinc/01/92/45/311019245.db2.gz LARYHBVTDSVNBS-SJORKVTESA-N 2 2 334.529 3.229 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc(Cl)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000487314243 311020005 /nfs/dbraw/zinc/02/00/05/311020005.db2.gz CYVDHLYIXNTTHG-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc(Cl)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000487314243 311020007 /nfs/dbraw/zinc/02/00/07/311020007.db2.gz CYVDHLYIXNTTHG-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000488092021 311050861 /nfs/dbraw/zinc/05/08/61/311050861.db2.gz WFACABOJFMEVQL-BQJUDKOJSA-N 2 2 342.527 3.487 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C[NH+](C)C ZINC000491590325 311186030 /nfs/dbraw/zinc/18/60/30/311186030.db2.gz ZBZMOKAAACVNPP-PBHICJAKSA-N 2 2 340.895 3.185 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000491967719 311203700 /nfs/dbraw/zinc/20/37/00/311203700.db2.gz WWZWMKGEFSYQJK-ZKASZLPCSA-N 2 2 340.471 3.032 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000492814271 311294623 /nfs/dbraw/zinc/29/46/23/311294623.db2.gz UFJXKAIJAAPWON-WAYWQWQTSA-N 2 2 332.492 3.030 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000492814271 311294624 /nfs/dbraw/zinc/29/46/24/311294624.db2.gz UFJXKAIJAAPWON-WAYWQWQTSA-N 2 2 332.492 3.030 20 0 EGADLP Cn1c(C[NH2+]Cc2cccc3[nH+]ccn32)nc2cc(Cl)ccc21 ZINC000494463014 311480599 /nfs/dbraw/zinc/48/05/99/311480599.db2.gz DOOAQHMYILUPHF-UHFFFAOYSA-N 2 2 325.803 3.164 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000496165813 311671732 /nfs/dbraw/zinc/67/17/32/311671732.db2.gz IEHKAVBRMFEYNI-WBVHZDCISA-N 2 2 333.476 3.168 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496186822 311675369 /nfs/dbraw/zinc/67/53/69/311675369.db2.gz OOHKADYDAJDRSP-HOCLYGCPSA-N 2 2 348.491 3.097 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000496593094 311735406 /nfs/dbraw/zinc/73/54/06/311735406.db2.gz VCZUJNZUHCESKF-GJZGRUSLSA-N 2 2 344.459 3.117 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506479374 312050127 /nfs/dbraw/zinc/05/01/27/312050127.db2.gz IUDNOPIYJPUNBD-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506479374 312050128 /nfs/dbraw/zinc/05/01/28/312050128.db2.gz IUDNOPIYJPUNBD-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506479374 312050129 /nfs/dbraw/zinc/05/01/29/312050129.db2.gz IUDNOPIYJPUNBD-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506479374 312050130 /nfs/dbraw/zinc/05/01/30/312050130.db2.gz IUDNOPIYJPUNBD-BZSNNMDCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479805 312050446 /nfs/dbraw/zinc/05/04/46/312050446.db2.gz KDIMXLJWIBCCOR-ZSYWTGECSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479805 312050449 /nfs/dbraw/zinc/05/04/49/312050449.db2.gz KDIMXLJWIBCCOR-ZSYWTGECSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506479805 312050452 /nfs/dbraw/zinc/05/04/52/312050452.db2.gz KDIMXLJWIBCCOR-ZSYWTGECSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506479805 312050455 /nfs/dbraw/zinc/05/04/55/312050455.db2.gz KDIMXLJWIBCCOR-ZSYWTGECSA-N 2 2 337.552 3.266 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)c1cccc(OC)c1 ZINC000507463140 312073159 /nfs/dbraw/zinc/07/31/59/312073159.db2.gz RELRNKPADRLKJU-XKGZKEIXSA-N 2 2 334.504 3.483 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000507516836 312075841 /nfs/dbraw/zinc/07/58/41/312075841.db2.gz XATLOZHDVFHDPF-QMMLZNLJSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000507516836 312075842 /nfs/dbraw/zinc/07/58/42/312075842.db2.gz XATLOZHDVFHDPF-QMMLZNLJSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690872 312099869 /nfs/dbraw/zinc/09/98/69/312099869.db2.gz LCAVAVSMXHOHOM-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690872 312099870 /nfs/dbraw/zinc/09/98/70/312099870.db2.gz LCAVAVSMXHOHOM-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000512130388 312176447 /nfs/dbraw/zinc/17/64/47/312176447.db2.gz NLOHKBCVSVLBCN-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000512130388 312176449 /nfs/dbraw/zinc/17/64/49/312176449.db2.gz NLOHKBCVSVLBCN-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)c[nH+]2)C[C@@H](C)O1 ZINC000515346325 312277787 /nfs/dbraw/zinc/27/77/87/312277787.db2.gz GVWBHRHQRRXZIR-TUFGIGEDSA-N 2 2 338.455 3.252 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000515373264 312279598 /nfs/dbraw/zinc/27/95/98/312279598.db2.gz ZGPZVGATMBLMKE-UHFFFAOYSA-N 2 2 339.830 3.483 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000516686567 312337266 /nfs/dbraw/zinc/33/72/66/312337266.db2.gz CKHAOHSYSPYKQZ-UHFFFAOYSA-N 3 2 326.488 3.284 20 0 EGADLP c1cc2c(nc[nH+]c2Nc2cccc(C[NH+]3CCSCC3)c2)[nH]1 ZINC000517093512 312363815 /nfs/dbraw/zinc/36/38/15/312363815.db2.gz ZPYOUWUNGOWOAY-UHFFFAOYSA-N 2 2 325.441 3.250 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000524979706 312690532 /nfs/dbraw/zinc/69/05/32/312690532.db2.gz WDFATTCILDUVCW-IBGZPJMESA-N 2 2 348.450 3.001 20 0 EGADLP C[C@H](C[NH2+]Cc1ncc(Cl)cc1Br)Cn1cc[nH+]c1 ZINC000527650287 312898463 /nfs/dbraw/zinc/89/84/63/312898463.db2.gz XTCXXVHZFJWXBK-SNVBAGLBSA-N 2 2 343.656 3.120 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396181 313083422 /nfs/dbraw/zinc/08/34/22/313083422.db2.gz OFICJHCZVLPWSZ-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396181 313083424 /nfs/dbraw/zinc/08/34/24/313083424.db2.gz OFICJHCZVLPWSZ-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396181 313083427 /nfs/dbraw/zinc/08/34/27/313083427.db2.gz OFICJHCZVLPWSZ-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000528396181 313083430 /nfs/dbraw/zinc/08/34/30/313083430.db2.gz OFICJHCZVLPWSZ-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000528612900 313129262 /nfs/dbraw/zinc/12/92/62/313129262.db2.gz XJPBVCSIQKXVJJ-HXUWFJFHSA-N 2 2 326.488 3.116 20 0 EGADLP CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000528612900 313129267 /nfs/dbraw/zinc/12/92/67/313129267.db2.gz XJPBVCSIQKXVJJ-HXUWFJFHSA-N 2 2 326.488 3.116 20 0 EGADLP COc1cccc(C[C@@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000528751083 313163508 /nfs/dbraw/zinc/16/35/08/313163508.db2.gz UJADBGUXJJXMQI-SFHVURJKSA-N 2 2 327.472 3.459 20 0 EGADLP COc1cccc(C[C@@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000528751083 313163510 /nfs/dbraw/zinc/16/35/10/313163510.db2.gz UJADBGUXJJXMQI-SFHVURJKSA-N 2 2 327.472 3.459 20 0 EGADLP CCn1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000529639305 313376253 /nfs/dbraw/zinc/37/62/53/313376253.db2.gz ARFGEVQKFKNHHO-HXUWFJFHSA-N 2 2 326.488 3.245 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@H]2Cc3ccccc3NC2=O)c2ccccn21 ZINC000529669952 313382535 /nfs/dbraw/zinc/38/25/35/313382535.db2.gz YAOXEFKVVMNULA-INIZCTEOSA-N 2 2 334.423 3.111 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O[C@H](C)C2 ZINC000536695275 314139220 /nfs/dbraw/zinc/13/92/20/314139220.db2.gz XCINLJPUWUEICP-IAGOWNOFSA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O[C@H](C)C2 ZINC000536695275 314139222 /nfs/dbraw/zinc/13/92/22/314139222.db2.gz XCINLJPUWUEICP-IAGOWNOFSA-N 2 2 344.499 3.326 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832054 314148539 /nfs/dbraw/zinc/14/85/39/314148539.db2.gz IKLOCNHHAUGDNG-OXQOHEQNSA-N 2 2 349.482 3.001 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832054 314148543 /nfs/dbraw/zinc/14/85/43/314148543.db2.gz IKLOCNHHAUGDNG-OXQOHEQNSA-N 2 2 349.482 3.001 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537984130 314221515 /nfs/dbraw/zinc/22/15/15/314221515.db2.gz JGISHPPUPBNIPU-BEFAXECRSA-N 2 2 337.423 3.265 20 0 EGADLP CCC(CC)[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000538179202 314230853 /nfs/dbraw/zinc/23/08/53/314230853.db2.gz LJIQOMKMLCUEMR-USNOLKROSA-N 2 2 348.531 3.224 20 0 EGADLP CC[C@H](C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724167 314270039 /nfs/dbraw/zinc/27/00/39/314270039.db2.gz WINMXIRCXWMMED-QKNQBKEWSA-N 2 2 329.532 3.138 20 0 EGADLP CC[C@H](C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000538724167 314270042 /nfs/dbraw/zinc/27/00/42/314270042.db2.gz WINMXIRCXWMMED-QKNQBKEWSA-N 2 2 329.532 3.138 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1sccc1Br ZINC000548307506 314992404 /nfs/dbraw/zinc/99/24/04/314992404.db2.gz QPVPJCFPASYHKU-NXEZZACHSA-N 2 2 326.263 3.373 20 0 EGADLP CC[C@H](C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C)[NH+](CC)CC ZINC000549769877 315104304 /nfs/dbraw/zinc/10/43/04/315104304.db2.gz UYTRIRNUGIWIJC-QGZVFWFLSA-N 2 2 342.487 3.187 20 0 EGADLP c1[nH+]c2n(c1C[NH2+][C@H](Cc1ccccn1)c1cccnc1)CCCC2 ZINC000551574274 315159258 /nfs/dbraw/zinc/15/92/58/315159258.db2.gz GEQIHJUMPCOSNC-LJQANCHMSA-N 2 2 333.439 3.083 20 0 EGADLP Cc1ccc2c(C)cc(N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)[nH+]c2c1 ZINC000553604558 315272445 /nfs/dbraw/zinc/27/24/45/315272445.db2.gz XXCASKMXKPMPHN-IRXDYDNUSA-N 2 2 325.456 3.151 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccc4cc[nH]c43)c2cc1C ZINC000553790529 315282897 /nfs/dbraw/zinc/28/28/97/315282897.db2.gz XSRILFWZHIQRSC-SFHVURJKSA-N 2 2 348.450 3.285 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554049780 315295431 /nfs/dbraw/zinc/29/54/31/315295431.db2.gz BRWGABWBATXZTA-FGZHOGPDSA-N 2 2 341.543 3.363 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000554560882 315332429 /nfs/dbraw/zinc/33/24/29/315332429.db2.gz IQKAOCSRBIHCJH-WOJBJXKFSA-N 2 2 328.500 3.372 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@H+]1CCc2ccccc2C1 ZINC000554560882 315332430 /nfs/dbraw/zinc/33/24/30/315332430.db2.gz IQKAOCSRBIHCJH-WOJBJXKFSA-N 2 2 328.500 3.372 20 0 EGADLP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000562984851 315934848 /nfs/dbraw/zinc/93/48/48/315934848.db2.gz LYMDFISGBUMDGC-IAGOWNOFSA-N 2 2 335.451 3.457 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707362 316059174 /nfs/dbraw/zinc/05/91/74/316059174.db2.gz KEXZOAIXCGORGA-FXAWDEMLSA-N 2 2 326.484 3.309 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000564458731 316155367 /nfs/dbraw/zinc/15/53/67/316155367.db2.gz TZGDYILALWDEAV-GOEBONIOSA-N 2 2 334.489 3.095 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459659 316155715 /nfs/dbraw/zinc/15/57/15/316155715.db2.gz LVBSBGUUTNKGSX-NSHGMRRFSA-N 2 2 345.531 3.285 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459659 316155720 /nfs/dbraw/zinc/15/57/20/316155720.db2.gz LVBSBGUUTNKGSX-NSHGMRRFSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459659 316155722 /nfs/dbraw/zinc/15/57/22/316155722.db2.gz LVBSBGUUTNKGSX-NSHGMRRFSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459659 316155725 /nfs/dbraw/zinc/15/57/25/316155725.db2.gz LVBSBGUUTNKGSX-NSHGMRRFSA-N 2 2 345.531 3.285 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000565014689 316248662 /nfs/dbraw/zinc/24/86/62/316248662.db2.gz YLYOPZHKINTUEV-GOSISDBHSA-N 2 2 337.552 3.243 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000565014689 316248663 /nfs/dbraw/zinc/24/86/63/316248663.db2.gz YLYOPZHKINTUEV-GOSISDBHSA-N 2 2 337.552 3.243 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565849679 316378880 /nfs/dbraw/zinc/37/88/80/316378880.db2.gz VGPHLLNSOLBKGV-HRCADAONSA-N 2 2 340.458 3.375 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565849679 316378881 /nfs/dbraw/zinc/37/88/81/316378881.db2.gz VGPHLLNSOLBKGV-HRCADAONSA-N 2 2 340.458 3.375 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C3CC3)C3CCC3)c2cc1C ZINC000565874525 316381304 /nfs/dbraw/zinc/38/13/04/316381304.db2.gz KCMMYQPLIQWPLD-XLIONFOSSA-N 2 2 327.472 3.182 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565892151 316384227 /nfs/dbraw/zinc/38/42/27/316384227.db2.gz QFEBGMFKRDSOAZ-NSHDSACASA-N 2 2 329.307 3.342 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000565892151 316384228 /nfs/dbraw/zinc/38/42/28/316384228.db2.gz QFEBGMFKRDSOAZ-NSHDSACASA-N 2 2 329.307 3.342 20 0 EGADLP Fc1ccc([C@@H](NC[C@H]2[NH2+]CCc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000566614235 316503027 /nfs/dbraw/zinc/50/30/27/316503027.db2.gz WZUYEAOCOYHLPE-RTBURBONSA-N 2 2 336.414 3.115 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)cc2)c1C ZINC000569108497 316867271 /nfs/dbraw/zinc/86/72/71/316867271.db2.gz KVXHLOVEPJNOGL-MRXNPFEDSA-N 2 2 349.438 3.195 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149494 317014381 /nfs/dbraw/zinc/01/43/81/317014381.db2.gz OSVUOJUQQLUSEH-DOTOQJQBSA-N 2 2 344.434 3.148 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149494 317014383 /nfs/dbraw/zinc/01/43/83/317014383.db2.gz OSVUOJUQQLUSEH-DOTOQJQBSA-N 2 2 344.434 3.148 20 0 EGADLP Cc1ccc2cc[nH+]c(NC[C@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000570628264 317083630 /nfs/dbraw/zinc/08/36/30/317083630.db2.gz PNTXSZAHWNZKIR-LJQANCHMSA-N 2 2 326.488 3.227 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000571194283 317164370 /nfs/dbraw/zinc/16/43/70/317164370.db2.gz WGRXFDNCXNBJLO-FGTMMUONSA-N 2 2 341.842 3.180 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000571230513 317169326 /nfs/dbraw/zinc/16/93/26/317169326.db2.gz ZFUBLKJCKBCUCH-UXHICEINSA-N 2 2 328.504 3.363 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000571653029 317229485 /nfs/dbraw/zinc/22/94/85/317229485.db2.gz FTBHRRDXJUXVQA-AWEZNQCLSA-N 2 2 339.361 3.351 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000571653029 317229488 /nfs/dbraw/zinc/22/94/88/317229488.db2.gz FTBHRRDXJUXVQA-AWEZNQCLSA-N 2 2 339.361 3.351 20 0 EGADLP C[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896088 317263226 /nfs/dbraw/zinc/26/32/26/317263226.db2.gz YMZDIIZRLAWFOW-KXBFYZLASA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896088 317263230 /nfs/dbraw/zinc/26/32/30/317263230.db2.gz YMZDIIZRLAWFOW-KXBFYZLASA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896082 317263599 /nfs/dbraw/zinc/26/35/99/317263599.db2.gz YMZDIIZRLAWFOW-DNVCBOLYSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000571896082 317263600 /nfs/dbraw/zinc/26/36/00/317263600.db2.gz YMZDIIZRLAWFOW-DNVCBOLYSA-N 2 2 338.442 3.255 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](Cc3cccc(Oc4ccccc4)c3)C[C@H]2[NH3+])cn1 ZINC000572028440 317280989 /nfs/dbraw/zinc/28/09/89/317280989.db2.gz SJZNAEJHYDRTAJ-LEWJYISDSA-N 2 2 348.450 3.139 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](Cc3cccc(Oc4ccccc4)c3)C[C@H]2[NH3+])cn1 ZINC000572028440 317280993 /nfs/dbraw/zinc/28/09/93/317280993.db2.gz SJZNAEJHYDRTAJ-LEWJYISDSA-N 2 2 348.450 3.139 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000572659935 317371110 /nfs/dbraw/zinc/37/11/10/317371110.db2.gz URHLKPNRRHYWHW-UHFFFAOYSA-N 2 2 346.906 3.132 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000572785837 317391940 /nfs/dbraw/zinc/39/19/40/317391940.db2.gz ZPEBXOGTBKLMSI-SFHVURJKSA-N 2 2 343.471 3.177 20 0 EGADLP COCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1Cl ZINC000182771912 455584127 /nfs/dbraw/zinc/58/41/27/455584127.db2.gz HPXHCLVLUKWHCY-UHFFFAOYSA-N 2 2 325.815 3.214 20 0 EGADLP COCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1Cl ZINC000182771912 455584130 /nfs/dbraw/zinc/58/41/30/455584130.db2.gz HPXHCLVLUKWHCY-UHFFFAOYSA-N 2 2 325.815 3.214 20 0 EGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000271626970 455704537 /nfs/dbraw/zinc/70/45/37/455704537.db2.gz FYTPPLBQTVVSLS-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000271626970 455704541 /nfs/dbraw/zinc/70/45/41/455704541.db2.gz FYTPPLBQTVVSLS-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)cc(Br)c3)C[C@H]21 ZINC000228473265 456123248 /nfs/dbraw/zinc/12/32/48/456123248.db2.gz MMXABYFBSLXGOK-NILFDRSVSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)cc(Br)c3)C[C@H]21 ZINC000228473265 456123256 /nfs/dbraw/zinc/12/32/56/456123256.db2.gz MMXABYFBSLXGOK-NILFDRSVSA-N 2 2 327.241 3.147 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000290058268 456229248 /nfs/dbraw/zinc/22/92/48/456229248.db2.gz PFQPOMIKBHQXES-UHFFFAOYSA-N 2 2 348.288 3.389 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000184371318 323655185 /nfs/dbraw/zinc/65/51/85/323655185.db2.gz CCBGZEHZRVJIQD-CABCVRRESA-N 2 2 345.512 3.105 20 0 EGADLP CCc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(C)[nH+]1 ZINC000386167087 324266449 /nfs/dbraw/zinc/26/64/49/324266449.db2.gz RNJVGDDADFUQBJ-MOPGFXCFSA-N 2 2 336.483 3.306 20 0 EGADLP CCc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(C)[nH+]1 ZINC000386167087 324266452 /nfs/dbraw/zinc/26/64/52/324266452.db2.gz RNJVGDDADFUQBJ-MOPGFXCFSA-N 2 2 336.483 3.306 20 0 EGADLP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000396409437 324293551 /nfs/dbraw/zinc/29/35/51/324293551.db2.gz FLPBXIFSZKFDTL-ODIFPOPNSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000396409437 324293554 /nfs/dbraw/zinc/29/35/54/324293554.db2.gz FLPBXIFSZKFDTL-ODIFPOPNSA-N 2 2 344.421 3.333 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000396327982 324293950 /nfs/dbraw/zinc/29/39/50/324293950.db2.gz WBEVVBCWJUBPIK-CGZBRXJRSA-N 2 2 342.405 3.087 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000396327982 324293951 /nfs/dbraw/zinc/29/39/51/324293951.db2.gz WBEVVBCWJUBPIK-CGZBRXJRSA-N 2 2 342.405 3.087 20 0 EGADLP O=C(Nc1ccccc1)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000576576257 324641301 /nfs/dbraw/zinc/64/13/01/324641301.db2.gz RHJRDSXESDQPAK-JIRNRHONSA-N 2 2 335.451 3.239 20 0 EGADLP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000578529378 324982695 /nfs/dbraw/zinc/98/26/95/324982695.db2.gz XYLLRKKZMVPMPM-KXBFYZLASA-N 2 2 336.907 3.445 20 0 EGADLP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000578529375 324982898 /nfs/dbraw/zinc/98/28/98/324982898.db2.gz XYLLRKKZMVPMPM-BEFAXECRSA-N 2 2 336.907 3.445 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](C)CC(F)(F)F)c2cc1C ZINC000578641030 324998207 /nfs/dbraw/zinc/99/82/07/324998207.db2.gz HJNUFIJSRMPVIJ-FZMZJTMJSA-N 2 2 343.393 3.192 20 0 EGADLP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000579941854 325179708 /nfs/dbraw/zinc/17/97/08/325179708.db2.gz HTXYCNHUWZSOOS-PMACEKPBSA-N 2 2 337.467 3.019 20 0 EGADLP C[NH+]1CCC(C)(CNC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000579974808 325185808 /nfs/dbraw/zinc/18/58/08/325185808.db2.gz IRWPWBBBLWZREC-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722157 325289019 /nfs/dbraw/zinc/28/90/19/325289019.db2.gz ALEFFURPHKXZBY-FUHWJXTLSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722157 325289022 /nfs/dbraw/zinc/28/90/22/325289022.db2.gz ALEFFURPHKXZBY-FUHWJXTLSA-N 2 2 328.456 3.442 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3[NH2+]CCc4ccccc43)CC2)n1 ZINC000580939885 325311789 /nfs/dbraw/zinc/31/17/89/325311789.db2.gz YEHBQGWKCBTFIX-HTWSVDAQSA-N 2 2 340.471 3.135 20 0 EGADLP Cn1c[nH+]cc1CCCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000581258370 325347161 /nfs/dbraw/zinc/34/71/61/325347161.db2.gz BYHUAMJCBHXQJY-UHFFFAOYSA-N 2 2 348.494 3.324 20 0 EGADLP Cc1nnsc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000582125081 325416373 /nfs/dbraw/zinc/41/63/73/325416373.db2.gz GFJUOMIKRZFSFL-KBPBESRZSA-N 2 2 330.501 3.093 20 0 EGADLP CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)[NH+]1CCCCCC1 ZINC000582710505 325463770 /nfs/dbraw/zinc/46/37/70/325463770.db2.gz VZJONGSDZGHKMV-BBWFWOEESA-N 2 2 347.507 3.089 20 0 EGADLP C[NH+](C)Cc1ccc(-c2noc([C@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000583318538 325514115 /nfs/dbraw/zinc/51/41/15/325514115.db2.gz MOXBVPOLBUJFEM-SFHVURJKSA-N 2 2 334.423 3.033 20 0 EGADLP C[C@H](CCO)C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000356893156 457204086 /nfs/dbraw/zinc/20/40/86/457204086.db2.gz IJZWIPVEGLGQOL-CQSZACIVSA-N 2 2 336.442 3.182 20 0 EGADLP CC[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1[nH+]ccn1C ZINC000183079779 455224177 /nfs/dbraw/zinc/22/41/77/455224177.db2.gz KNAFCDXQVHDPCB-LJQANCHMSA-N 2 2 342.487 3.188 20 0 EGADLP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677888 455225567 /nfs/dbraw/zinc/22/55/67/455225567.db2.gz PWXPMWKHCHGPPE-LFVRLGFBSA-N 2 2 327.453 3.265 20 0 EGADLP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677888 455225572 /nfs/dbraw/zinc/22/55/72/455225572.db2.gz PWXPMWKHCHGPPE-LFVRLGFBSA-N 2 2 327.453 3.265 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000237975189 455240320 /nfs/dbraw/zinc/24/03/20/455240320.db2.gz IXOCWDOLOVFGKS-HZPDHXFCSA-N 2 2 338.455 3.342 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183182260 455246398 /nfs/dbraw/zinc/24/63/98/455246398.db2.gz FADFFXUUZOWLSP-INIZCTEOSA-N 2 2 332.879 3.305 20 0 EGADLP [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000238051162 455249177 /nfs/dbraw/zinc/24/91/77/455249177.db2.gz KTJUGTKTILGVQC-CYBMUJFWSA-N 2 2 331.803 3.091 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccc(Cl)c(F)c1)CC2 ZINC000484085021 459405809 /nfs/dbraw/zinc/40/58/09/459405809.db2.gz UILMUZDLTCDOPW-UHFFFAOYSA-N 2 2 326.843 3.418 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](CCOc1ccc(Cl)c(F)c1)CC2 ZINC000484085021 459405814 /nfs/dbraw/zinc/40/58/14/459405814.db2.gz UILMUZDLTCDOPW-UHFFFAOYSA-N 2 2 326.843 3.418 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000189954120 455259434 /nfs/dbraw/zinc/25/94/34/455259434.db2.gz URISGUPAKDVOJI-UFRUDQCGSA-N 3 2 326.488 3.019 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000189954120 455259439 /nfs/dbraw/zinc/25/94/39/455259439.db2.gz URISGUPAKDVOJI-UFRUDQCGSA-N 3 2 326.488 3.019 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@@H](c1[nH+]ccn1C)C1CC1)Cc1ccccc1 ZINC000183244133 455259527 /nfs/dbraw/zinc/25/95/27/455259527.db2.gz DGXBHJXBYRKPTK-VQTJNVASSA-N 2 2 340.515 3.414 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527671632 459693329 /nfs/dbraw/zinc/69/33/29/459693329.db2.gz XSUODXAGNMRQEV-VXGBXAGGSA-N 2 2 346.700 3.460 20 0 EGADLP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000631822548 460572849 /nfs/dbraw/zinc/57/28/49/460572849.db2.gz HSTFHIDHYUSLOE-UHFFFAOYSA-N 2 2 335.250 3.462 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000245612239 455341056 /nfs/dbraw/zinc/34/10/56/455341056.db2.gz TXJROAUXBNHOMW-KCZVDYSFSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CC2 ZINC000245612239 455341058 /nfs/dbraw/zinc/34/10/58/455341058.db2.gz TXJROAUXBNHOMW-KCZVDYSFSA-N 2 2 336.479 3.207 20 0 EGADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000600812069 460613716 /nfs/dbraw/zinc/61/37/16/460613716.db2.gz JQLGXQXWPKVVQT-MEPUESOJSA-N 2 2 329.532 3.486 20 0 EGADLP CCCCC/C(=C\c1ccccc1)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000600812069 460613722 /nfs/dbraw/zinc/61/37/22/460613722.db2.gz JQLGXQXWPKVVQT-MEPUESOJSA-N 2 2 329.532 3.486 20 0 EGADLP c1c(C[NH2+]CC[NH+]2CCCC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000026317904 453796595 /nfs/dbraw/zinc/79/65/95/453796595.db2.gz FCSYBROJWAHSLG-UHFFFAOYSA-N 2 2 347.466 3.120 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517123 453881302 /nfs/dbraw/zinc/88/13/02/453881302.db2.gz CPVZAQMRPIWVRO-JLAWEPINSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517123 453881305 /nfs/dbraw/zinc/88/13/05/453881305.db2.gz CPVZAQMRPIWVRO-JLAWEPINSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517123 453881308 /nfs/dbraw/zinc/88/13/08/453881308.db2.gz CPVZAQMRPIWVRO-JLAWEPINSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517123 453881311 /nfs/dbraw/zinc/88/13/11/453881311.db2.gz CPVZAQMRPIWVRO-JLAWEPINSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000081516888 453881324 /nfs/dbraw/zinc/88/13/24/453881324.db2.gz IVRXKROOHIWEJW-QUCCMNQESA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000081516888 453881327 /nfs/dbraw/zinc/88/13/27/453881327.db2.gz IVRXKROOHIWEJW-QUCCMNQESA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000081516888 453881329 /nfs/dbraw/zinc/88/13/29/453881329.db2.gz IVRXKROOHIWEJW-QUCCMNQESA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000081516888 453881332 /nfs/dbraw/zinc/88/13/32/453881332.db2.gz IVRXKROOHIWEJW-QUCCMNQESA-N 2 2 345.531 3.308 20 0 EGADLP CCCCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000067500846 453935983 /nfs/dbraw/zinc/93/59/83/453935983.db2.gz VLXCGGMGSUOUAV-MRXNPFEDSA-N 2 2 331.460 3.497 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000076003039 453947333 /nfs/dbraw/zinc/94/73/33/453947333.db2.gz UJWNOVHIOIBKJC-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000076003039 453947335 /nfs/dbraw/zinc/94/73/35/453947335.db2.gz UJWNOVHIOIBKJC-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000076002456 453947811 /nfs/dbraw/zinc/94/78/11/453947811.db2.gz HZKZXTAKRQDYQP-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000076002456 453947812 /nfs/dbraw/zinc/94/78/12/453947812.db2.gz HZKZXTAKRQDYQP-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000076000865 453947912 /nfs/dbraw/zinc/94/79/12/453947912.db2.gz AVOCRFNHDAXAJB-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000076000865 453947915 /nfs/dbraw/zinc/94/79/15/453947915.db2.gz AVOCRFNHDAXAJB-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP Cn1ncc2c1nc[nH+]c2Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000054838759 453950495 /nfs/dbraw/zinc/95/04/95/453950495.db2.gz VJECVWUVJBJRII-UHFFFAOYSA-N 2 2 336.443 3.135 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+]([C@H]4C=CCCC4)C3)CC2)nc1 ZINC000076669379 454025051 /nfs/dbraw/zinc/02/50/51/454025051.db2.gz JGUXOSXIHMDVHY-UXHICEINSA-N 2 2 340.515 3.024 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+]([C@H]4C=CCCC4)C3)CC2)nc1 ZINC000076669379 454025054 /nfs/dbraw/zinc/02/50/54/454025054.db2.gz JGUXOSXIHMDVHY-UXHICEINSA-N 2 2 340.515 3.024 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068568861 454038020 /nfs/dbraw/zinc/03/80/20/454038020.db2.gz KESHHNXHHZELOQ-UHFFFAOYSA-N 2 2 330.476 3.161 20 0 EGADLP Cn1nc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c2ccccc21 ZINC000605822850 460623846 /nfs/dbraw/zinc/62/38/46/460623846.db2.gz HUMARPDFRAFNOI-UHFFFAOYSA-N 2 2 333.439 3.182 20 0 EGADLP CCc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000068668475 454043374 /nfs/dbraw/zinc/04/33/74/454043374.db2.gz WLDXKEZPLQRZJW-OAHLLOKOSA-N 2 2 325.460 3.245 20 0 EGADLP CC(C)Oc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000069173099 454084725 /nfs/dbraw/zinc/08/47/25/454084725.db2.gz RNBXJZVSQWVTBM-KRWDZBQOSA-N 2 2 332.488 3.159 20 0 EGADLP CC(C)Oc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000069173099 454084727 /nfs/dbraw/zinc/08/47/27/454084727.db2.gz RNBXJZVSQWVTBM-KRWDZBQOSA-N 2 2 332.488 3.159 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000058029776 454161771 /nfs/dbraw/zinc/16/17/71/454161771.db2.gz JNHFYQVNKKVPCZ-UHFFFAOYSA-N 2 2 326.440 3.155 20 0 EGADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000089693480 454178729 /nfs/dbraw/zinc/17/87/29/454178729.db2.gz IBRFEYZECPJOKJ-CQSZACIVSA-N 2 2 338.224 3.452 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(OC(F)(F)F)cc1 ZINC000130396235 454195526 /nfs/dbraw/zinc/19/55/26/454195526.db2.gz MHLLNGYMAXVOGQ-UHFFFAOYSA-N 2 2 343.349 3.183 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(OC(F)(F)F)cc1 ZINC000130396235 454195532 /nfs/dbraw/zinc/19/55/32/454195532.db2.gz MHLLNGYMAXVOGQ-UHFFFAOYSA-N 2 2 343.349 3.183 20 0 EGADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000078260674 454219062 /nfs/dbraw/zinc/21/90/62/454219062.db2.gz XABHAXJEJHQBPK-OAHLLOKOSA-N 2 2 336.361 3.490 20 0 EGADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000078260674 454219065 /nfs/dbraw/zinc/21/90/65/454219065.db2.gz XABHAXJEJHQBPK-OAHLLOKOSA-N 2 2 336.361 3.490 20 0 EGADLP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095968305 454242634 /nfs/dbraw/zinc/24/26/34/454242634.db2.gz XBLKIWZEHBXNBC-KBXCAEBGSA-N 2 2 327.453 3.492 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C12CCCC2 ZINC000089986163 454254550 /nfs/dbraw/zinc/25/45/50/454254550.db2.gz FDVFXMXYMJHKQQ-UXHICEINSA-N 2 2 343.515 3.373 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047432 454266415 /nfs/dbraw/zinc/26/64/15/454266415.db2.gz ICHCUXHOBVTXBF-PKOBYXMFSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(OC(F)F)c1 ZINC000090047470 454267232 /nfs/dbraw/zinc/26/72/32/454267232.db2.gz WQEJBARWDKIPGH-UONOGXRCSA-N 2 2 328.403 3.049 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000090176594 454289383 /nfs/dbraw/zinc/28/93/83/454289383.db2.gz YXAAVBJILYFIIH-HXUWFJFHSA-N 2 2 343.446 3.162 20 0 EGADLP OCCC[N@H+](CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000131893931 454295208 /nfs/dbraw/zinc/29/52/08/454295208.db2.gz DZMHZOLSOCMXIA-UHFFFAOYSA-N 2 2 335.451 3.357 20 0 EGADLP OCCC[N@@H+](CCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000131893931 454295213 /nfs/dbraw/zinc/29/52/13/454295213.db2.gz DZMHZOLSOCMXIA-UHFFFAOYSA-N 2 2 335.451 3.357 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1Br ZINC000090250643 454296767 /nfs/dbraw/zinc/29/67/67/454296767.db2.gz BBPPWXWEMZSZPA-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nccnc3c2)C[N@@H+]1Cc1ccccc1 ZINC000634968772 460633986 /nfs/dbraw/zinc/63/39/86/460633986.db2.gz WVVZAOZYLORGAN-VQIMIIECSA-N 2 2 332.451 3.382 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3nccnc3c2)C[N@H+]1Cc1ccccc1 ZINC000634968772 460633992 /nfs/dbraw/zinc/63/39/92/460633992.db2.gz WVVZAOZYLORGAN-VQIMIIECSA-N 2 2 332.451 3.382 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144408 454462300 /nfs/dbraw/zinc/46/23/00/454462300.db2.gz DQAUMJNNWMWASI-KSSFIOAISA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144408 454462304 /nfs/dbraw/zinc/46/23/04/454462304.db2.gz DQAUMJNNWMWASI-KSSFIOAISA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144409 454462667 /nfs/dbraw/zinc/46/26/67/454462667.db2.gz DQAUMJNNWMWASI-KDOFPFPSSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144409 454462670 /nfs/dbraw/zinc/46/26/70/454462670.db2.gz DQAUMJNNWMWASI-KDOFPFPSSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091959791 454495578 /nfs/dbraw/zinc/49/55/78/454495578.db2.gz KMPLMOKCBMFCMU-RDJZCZTQSA-N 2 2 327.428 3.128 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000091959791 454495585 /nfs/dbraw/zinc/49/55/85/454495585.db2.gz KMPLMOKCBMFCMU-RDJZCZTQSA-N 2 2 327.428 3.128 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000092043295 454508179 /nfs/dbraw/zinc/50/81/79/454508179.db2.gz DODLRDRPPFRSNP-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000092043295 454508184 /nfs/dbraw/zinc/50/81/84/454508184.db2.gz DODLRDRPPFRSNP-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(Cl)c1OC ZINC000092043295 454508189 /nfs/dbraw/zinc/50/81/89/454508189.db2.gz DODLRDRPPFRSNP-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)c1OC ZINC000092043295 454508191 /nfs/dbraw/zinc/50/81/91/454508191.db2.gz DODLRDRPPFRSNP-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123023354 454593776 /nfs/dbraw/zinc/59/37/76/454593776.db2.gz IOLHOJHHOKQXCI-ROUUACIJSA-N 2 2 334.508 3.195 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2cc1C ZINC000051085570 454609386 /nfs/dbraw/zinc/60/93/86/454609386.db2.gz UDQZLWTXUNAQLG-LJQANCHMSA-N 2 2 335.451 3.072 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCc4ccccc4C3)c2cc1C ZINC000051085570 454609391 /nfs/dbraw/zinc/60/93/91/454609391.db2.gz UDQZLWTXUNAQLG-LJQANCHMSA-N 2 2 335.451 3.072 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080988995 454667383 /nfs/dbraw/zinc/66/73/83/454667383.db2.gz DZJFNYOAWKFJQF-KGLIPLIRSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080988995 454667390 /nfs/dbraw/zinc/66/73/90/454667390.db2.gz DZJFNYOAWKFJQF-KGLIPLIRSA-N 2 2 344.484 3.338 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000093301872 454701281 /nfs/dbraw/zinc/70/12/81/454701281.db2.gz GXDBQYJBMAWJGL-UHFFFAOYSA-N 2 2 337.471 3.478 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281950 454722971 /nfs/dbraw/zinc/72/29/71/454722971.db2.gz QYTCNACKNGXHCS-IBGZPJMESA-N 2 2 345.531 3.236 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281950 454722974 /nfs/dbraw/zinc/72/29/74/454722974.db2.gz QYTCNACKNGXHCS-IBGZPJMESA-N 2 2 345.531 3.236 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281950 454722978 /nfs/dbraw/zinc/72/29/78/454722978.db2.gz QYTCNACKNGXHCS-IBGZPJMESA-N 2 2 345.531 3.236 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281950 454722982 /nfs/dbraw/zinc/72/29/82/454722982.db2.gz QYTCNACKNGXHCS-IBGZPJMESA-N 2 2 345.531 3.236 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(Cc2ccccc2)c1 ZINC000152805256 454728135 /nfs/dbraw/zinc/72/81/35/454728135.db2.gz NXBFWYAQZKJSJN-QGZVFWFLSA-N 2 2 349.482 3.358 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000107368924 454754171 /nfs/dbraw/zinc/75/41/71/454754171.db2.gz DXXLVLRXNGIDDG-AWEZNQCLSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000107368924 454754173 /nfs/dbraw/zinc/75/41/73/454754173.db2.gz DXXLVLRXNGIDDG-AWEZNQCLSA-N 2 2 342.314 3.205 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)ccc2c1 ZINC000153336828 454784529 /nfs/dbraw/zinc/78/45/29/454784529.db2.gz ZMJSVEVLDUUFDB-DLBZAZTESA-N 2 2 342.483 3.467 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000153490081 454799550 /nfs/dbraw/zinc/79/95/50/454799550.db2.gz WZAITOFIMMENPV-NZSAHSFTSA-N 2 2 343.515 3.076 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000153490081 454799554 /nfs/dbraw/zinc/79/95/54/454799554.db2.gz WZAITOFIMMENPV-NZSAHSFTSA-N 2 2 343.515 3.076 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1 ZINC000635011816 460655693 /nfs/dbraw/zinc/65/56/93/460655693.db2.gz PHCNHFGXDHFIDM-IRXDYDNUSA-N 2 2 330.451 3.016 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000109788135 454837140 /nfs/dbraw/zinc/83/71/40/454837140.db2.gz JRZBFQXYQNAKNS-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000109788135 454837143 /nfs/dbraw/zinc/83/71/43/454837143.db2.gz JRZBFQXYQNAKNS-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000163335468 454840491 /nfs/dbraw/zinc/84/04/91/454840491.db2.gz YAVSDWNZJUPASS-ZIAGYGMSSA-N 2 2 334.489 3.039 20 0 EGADLP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000163335468 454840492 /nfs/dbraw/zinc/84/04/92/454840492.db2.gz YAVSDWNZJUPASS-ZIAGYGMSSA-N 2 2 334.489 3.039 20 0 EGADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccc2c(c1)OCO2 ZINC000177244349 454842162 /nfs/dbraw/zinc/84/21/62/454842162.db2.gz IIEVSOFCWNRGQQ-UHFFFAOYSA-N 2 2 336.395 3.018 20 0 EGADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)Cc1ccc2c(c1)OCO2 ZINC000177244349 454842167 /nfs/dbraw/zinc/84/21/67/454842167.db2.gz IIEVSOFCWNRGQQ-UHFFFAOYSA-N 2 2 336.395 3.018 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150816781 454896767 /nfs/dbraw/zinc/89/67/67/454896767.db2.gz YRUFLEIHTJOMSG-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150816781 454896769 /nfs/dbraw/zinc/89/67/69/454896769.db2.gz YRUFLEIHTJOMSG-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166534953 454912972 /nfs/dbraw/zinc/91/29/72/454912972.db2.gz KATMDMBKLGVSMI-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000166534953 454912968 /nfs/dbraw/zinc/91/29/68/454912968.db2.gz KATMDMBKLGVSMI-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000155182973 454972393 /nfs/dbraw/zinc/97/23/93/454972393.db2.gz KAUWSXMOKIHEDP-QGZVFWFLSA-N 2 2 332.488 3.066 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000151460472 454987712 /nfs/dbraw/zinc/98/77/12/454987712.db2.gz CMOUNYXLEUNEJF-SJLPKXTDSA-N 2 2 329.469 3.017 20 0 EGADLP c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000179170073 455015892 /nfs/dbraw/zinc/01/58/92/455015892.db2.gz RLHHKJYJCSDTRV-SJLPKXTDSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2nnc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000179170073 455015896 /nfs/dbraw/zinc/01/58/96/455015896.db2.gz RLHHKJYJCSDTRV-SJLPKXTDSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2nnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000179170073 455015899 /nfs/dbraw/zinc/01/58/99/455015899.db2.gz RLHHKJYJCSDTRV-SJLPKXTDSA-N 2 2 338.455 3.185 20 0 EGADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116397340 455054770 /nfs/dbraw/zinc/05/47/70/455054770.db2.gz DFEJMKUTGISONK-KBXCAEBGSA-N 2 2 347.503 3.172 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000156334507 455105562 /nfs/dbraw/zinc/10/55/62/455105562.db2.gz AQGHMJSMIQMSDR-PBHICJAKSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000156334507 455105568 /nfs/dbraw/zinc/10/55/68/455105568.db2.gz AQGHMJSMIQMSDR-PBHICJAKSA-N 2 2 343.402 3.009 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394286 455112805 /nfs/dbraw/zinc/11/28/05/455112805.db2.gz DAELTGJQRSKUFN-BRWVUGGUSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394286 455112808 /nfs/dbraw/zinc/11/28/08/455112808.db2.gz DAELTGJQRSKUFN-BRWVUGGUSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152394286 455112813 /nfs/dbraw/zinc/11/28/13/455112813.db2.gz DAELTGJQRSKUFN-BRWVUGGUSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152394286 455112818 /nfs/dbraw/zinc/11/28/18/455112818.db2.gz DAELTGJQRSKUFN-BRWVUGGUSA-N 2 2 349.544 3.074 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)[nH+]1 ZINC000180015167 455116519 /nfs/dbraw/zinc/11/65/19/455116519.db2.gz WRPMCHVGXRGYDR-QGZVFWFLSA-N 2 2 335.407 3.443 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)[nH+]1 ZINC000180015167 455116524 /nfs/dbraw/zinc/11/65/24/455116524.db2.gz WRPMCHVGXRGYDR-QGZVFWFLSA-N 2 2 335.407 3.443 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000156451595 455120376 /nfs/dbraw/zinc/12/03/76/455120376.db2.gz PTTNOKHLODVMCJ-RLFYNMQTSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000156451595 455120379 /nfs/dbraw/zinc/12/03/79/455120379.db2.gz PTTNOKHLODVMCJ-RLFYNMQTSA-N 2 2 344.434 3.241 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000156561208 455132939 /nfs/dbraw/zinc/13/29/39/455132939.db2.gz LFLXSGQUPDFSCP-SFHVURJKSA-N 2 2 335.923 3.378 20 0 EGADLP CC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000156561208 455132943 /nfs/dbraw/zinc/13/29/43/455132943.db2.gz LFLXSGQUPDFSCP-SFHVURJKSA-N 2 2 335.923 3.378 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000156575568 455134516 /nfs/dbraw/zinc/13/45/16/455134516.db2.gz IZIJEMRUALRSIP-IBGZPJMESA-N 2 2 335.923 3.378 20 0 EGADLP CC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000156575568 455134519 /nfs/dbraw/zinc/13/45/19/455134519.db2.gz IZIJEMRUALRSIP-IBGZPJMESA-N 2 2 335.923 3.378 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000156600279 455136596 /nfs/dbraw/zinc/13/65/96/455136596.db2.gz JPQQKWMZSDAJIK-PXNSSMCTSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000156600279 455136598 /nfs/dbraw/zinc/13/65/98/455136598.db2.gz JPQQKWMZSDAJIK-PXNSSMCTSA-N 2 2 327.472 3.442 20 0 EGADLP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000156669409 455142727 /nfs/dbraw/zinc/14/27/27/455142727.db2.gz GLTDTFPSWWYLFT-UXHICEINSA-N 2 2 345.531 3.475 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000623657149 460664683 /nfs/dbraw/zinc/66/46/83/460664683.db2.gz KMYSKIQLGSXMMA-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000623657149 460664689 /nfs/dbraw/zinc/66/46/89/460664689.db2.gz KMYSKIQLGSXMMA-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3nc4cc(F)ccc4n3C)n2c1 ZINC000156982773 455159796 /nfs/dbraw/zinc/15/97/96/455159796.db2.gz KZFNGMYSTBXQGZ-UHFFFAOYSA-N 2 2 337.402 3.001 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157127241 455166230 /nfs/dbraw/zinc/16/62/30/455166230.db2.gz HRJPKSIWVHRDOJ-QUCCMNQESA-N 2 2 343.515 3.156 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157127241 455166232 /nfs/dbraw/zinc/16/62/32/455166232.db2.gz HRJPKSIWVHRDOJ-QUCCMNQESA-N 2 2 343.515 3.156 20 0 EGADLP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000157150055 455168132 /nfs/dbraw/zinc/16/81/32/455168132.db2.gz QPNYYPDJTLUAHJ-MAUKXSAKSA-N 2 2 344.528 3.143 20 0 EGADLP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000157150055 455168137 /nfs/dbraw/zinc/16/81/37/455168137.db2.gz QPNYYPDJTLUAHJ-MAUKXSAKSA-N 2 2 344.528 3.143 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000173615197 455316563 /nfs/dbraw/zinc/31/65/63/455316563.db2.gz YKRRLLSAVZMVQA-LBPRGKRZSA-N 2 2 341.858 3.269 20 0 EGADLP CC[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+](CC)CC ZINC000265429501 455323214 /nfs/dbraw/zinc/32/32/14/455323214.db2.gz BPCITWVIWUYFQV-LPHOPBHVSA-N 2 2 347.503 3.139 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158885788 455335580 /nfs/dbraw/zinc/33/55/80/455335580.db2.gz LICRPFDSPWWZNA-HOCLYGCPSA-N 2 2 339.549 3.318 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158886073 455335605 /nfs/dbraw/zinc/33/56/05/455335605.db2.gz LICRPFDSPWWZNA-GOEBONIOSA-N 2 2 339.549 3.318 20 0 EGADLP CCSCC[C@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000174036248 455352718 /nfs/dbraw/zinc/35/27/18/455352718.db2.gz SCDBWVFLUXBGFJ-IRXDYDNUSA-N 2 2 349.544 3.478 20 0 EGADLP CCSCC[C@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000174036248 455352723 /nfs/dbraw/zinc/35/27/23/455352723.db2.gz SCDBWVFLUXBGFJ-IRXDYDNUSA-N 2 2 349.544 3.478 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1nccn1-c1ccccc1)Cc1ccccc1 ZINC000190703335 455370078 /nfs/dbraw/zinc/37/00/78/455370078.db2.gz LOQLXYOQWJNMGN-UHFFFAOYSA-N 2 2 334.467 3.484 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1nccn1-c1ccccc1)Cc1ccccc1 ZINC000190703335 455370081 /nfs/dbraw/zinc/37/00/81/455370081.db2.gz LOQLXYOQWJNMGN-UHFFFAOYSA-N 2 2 334.467 3.484 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000190910706 455403356 /nfs/dbraw/zinc/40/33/56/455403356.db2.gz IGCXEMGLYAJAKR-OAHLLOKOSA-N 2 2 347.532 3.096 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000190910706 455403358 /nfs/dbraw/zinc/40/33/58/455403358.db2.gz IGCXEMGLYAJAKR-OAHLLOKOSA-N 2 2 347.532 3.096 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CCO1 ZINC000606446108 460671769 /nfs/dbraw/zinc/67/17/69/460671769.db2.gz NINITLBZIGQGCR-SWHBYNJGSA-N 2 2 329.488 3.302 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ncc(Cl)n1C ZINC000184749747 455441713 /nfs/dbraw/zinc/44/17/13/455441713.db2.gz RLBSUIPCYDUSCM-GJZGRUSLSA-N 2 2 346.906 3.320 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246274730 455463062 /nfs/dbraw/zinc/46/30/62/455463062.db2.gz AZHWCDWHTMSSOZ-JZXOWHBKSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246274730 455463063 /nfs/dbraw/zinc/46/30/63/455463063.db2.gz AZHWCDWHTMSSOZ-JZXOWHBKSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266921582 455475902 /nfs/dbraw/zinc/47/59/02/455475902.db2.gz MFJYCUDXQGLNKP-STQMWFEESA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266921582 455475907 /nfs/dbraw/zinc/47/59/07/455475907.db2.gz MFJYCUDXQGLNKP-STQMWFEESA-N 2 2 332.835 3.270 20 0 EGADLP COc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000175785207 455496638 /nfs/dbraw/zinc/49/66/38/455496638.db2.gz PTDWZWVPTSITSS-UHFFFAOYSA-N 2 2 339.483 3.229 20 0 EGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000175785207 455496639 /nfs/dbraw/zinc/49/66/39/455496639.db2.gz PTDWZWVPTSITSS-UHFFFAOYSA-N 2 2 339.483 3.229 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246500516 455502429 /nfs/dbraw/zinc/50/24/29/455502429.db2.gz SOKSNXLPJIUAIT-SPYBWZPUSA-N 2 2 342.487 3.290 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246500516 455502434 /nfs/dbraw/zinc/50/24/34/455502434.db2.gz SOKSNXLPJIUAIT-SPYBWZPUSA-N 2 2 342.487 3.290 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000182537135 455535534 /nfs/dbraw/zinc/53/55/34/455535534.db2.gz FIPOZRUNKYEESO-INIZCTEOSA-N 2 2 343.471 3.184 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000247066011 455555028 /nfs/dbraw/zinc/55/50/28/455555028.db2.gz PXFQXNZEQRQRFP-FOIQADDNSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000247066011 455555032 /nfs/dbraw/zinc/55/50/32/455555032.db2.gz PXFQXNZEQRQRFP-FOIQADDNSA-N 2 2 345.437 3.403 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2)C12CCC2 ZINC000182638311 455558477 /nfs/dbraw/zinc/55/84/77/455558477.db2.gz DIHNYMFZCNCWGG-OALUTQOASA-N 2 2 329.488 3.198 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)[C@@H](C)C1 ZINC000247160283 455567029 /nfs/dbraw/zinc/56/70/29/455567029.db2.gz RZXDCWUZHJCWIB-KBXCAEBGSA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)[C@@H](C)C1 ZINC000247160283 455567034 /nfs/dbraw/zinc/56/70/34/455567034.db2.gz RZXDCWUZHJCWIB-KBXCAEBGSA-N 2 2 326.431 3.191 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247279385 455582975 /nfs/dbraw/zinc/58/29/75/455582975.db2.gz DTBAFVXAXYMFBB-CPUCHLNUSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247279385 455582980 /nfs/dbraw/zinc/58/29/80/455582980.db2.gz DTBAFVXAXYMFBB-CPUCHLNUSA-N 2 2 346.862 3.447 20 0 EGADLP OC1(c2cccnc2)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000185699463 455599834 /nfs/dbraw/zinc/59/98/34/455599834.db2.gz DHVIGVLUNLNKBF-UHFFFAOYSA-N 2 2 348.450 3.187 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247452049 455602868 /nfs/dbraw/zinc/60/28/68/455602868.db2.gz HNMHATSFPOCASC-MSOLQXFVSA-N 2 2 331.504 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000247452049 455602873 /nfs/dbraw/zinc/60/28/73/455602873.db2.gz HNMHATSFPOCASC-MSOLQXFVSA-N 2 2 331.504 3.092 20 0 EGADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277601050 455611120 /nfs/dbraw/zinc/61/11/20/455611120.db2.gz PXYUTVPJOIUCFW-LRDDRELGSA-N 2 2 345.830 3.255 20 0 EGADLP Cc1ccoc1C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000292289414 455620098 /nfs/dbraw/zinc/62/00/98/455620098.db2.gz MBHANEUBMRGJIQ-INIZCTEOSA-N 2 2 327.428 3.047 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000247888368 455652726 /nfs/dbraw/zinc/65/27/26/455652726.db2.gz DOKQJLHNYJZVJE-WBVHZDCISA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)C1 ZINC000247888368 455652730 /nfs/dbraw/zinc/65/27/30/455652730.db2.gz DOKQJLHNYJZVJE-WBVHZDCISA-N 2 2 338.492 3.309 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000247981595 455664313 /nfs/dbraw/zinc/66/43/13/455664313.db2.gz MWRLAULIQMHGBW-XWDORNJCSA-N 2 2 347.547 3.396 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000247981595 455664317 /nfs/dbraw/zinc/66/43/17/455664317.db2.gz MWRLAULIQMHGBW-XWDORNJCSA-N 2 2 347.547 3.396 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247979320 455664942 /nfs/dbraw/zinc/66/49/42/455664942.db2.gz IEGMDEFRXBBGNY-AABGKKOBSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000247979320 455664946 /nfs/dbraw/zinc/66/49/46/455664946.db2.gz IEGMDEFRXBBGNY-AABGKKOBSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000247979320 455664951 /nfs/dbraw/zinc/66/49/51/455664951.db2.gz IEGMDEFRXBBGNY-AABGKKOBSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247979320 455664957 /nfs/dbraw/zinc/66/49/57/455664957.db2.gz IEGMDEFRXBBGNY-AABGKKOBSA-N 2 2 343.515 3.060 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000271567691 455686449 /nfs/dbraw/zinc/68/64/49/455686449.db2.gz PEITZDZJZPDMPQ-GOSISDBHSA-N 2 2 331.504 3.323 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000271576246 455690692 /nfs/dbraw/zinc/69/06/92/455690692.db2.gz ZWKRSJCUEIOKMN-ABAIWWIYSA-N 2 2 339.277 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000271576246 455690696 /nfs/dbraw/zinc/69/06/96/455690696.db2.gz ZWKRSJCUEIOKMN-ABAIWWIYSA-N 2 2 339.277 3.030 20 0 EGADLP CSC[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000292558132 455696590 /nfs/dbraw/zinc/69/65/90/455696590.db2.gz ZDJAGOKJTKNOLY-LJQANCHMSA-N 2 2 347.572 3.274 20 0 EGADLP CSC[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000292558132 455696593 /nfs/dbraw/zinc/69/65/93/455696593.db2.gz ZDJAGOKJTKNOLY-LJQANCHMSA-N 2 2 347.572 3.274 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000186234374 455723511 /nfs/dbraw/zinc/72/35/11/455723511.db2.gz CCKMTYSSGYOUKJ-DOTOQJQBSA-N 2 2 338.565 3.189 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000271716330 455732424 /nfs/dbraw/zinc/73/24/24/455732424.db2.gz CGIDZGNFNXLFFB-FQEVSTJZSA-N 2 2 330.472 3.145 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268942344 455737884 /nfs/dbraw/zinc/73/78/84/455737884.db2.gz SXOHEXJOWFTDIQ-JTUHZDRVSA-N 2 2 336.545 3.176 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268942344 455737891 /nfs/dbraw/zinc/73/78/91/455737891.db2.gz SXOHEXJOWFTDIQ-JTUHZDRVSA-N 2 2 336.545 3.176 20 0 EGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271740230 455740913 /nfs/dbraw/zinc/74/09/13/455740913.db2.gz QGJWZIAKZUCKLH-UHFFFAOYSA-N 2 2 348.450 3.071 20 0 EGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271740230 455740918 /nfs/dbraw/zinc/74/09/18/455740918.db2.gz QGJWZIAKZUCKLH-UHFFFAOYSA-N 2 2 348.450 3.071 20 0 EGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000268989967 455755077 /nfs/dbraw/zinc/75/50/77/455755077.db2.gz VMJACTWOMVNCEN-VQTJNVASSA-N 2 2 340.467 3.414 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000271782751 455758502 /nfs/dbraw/zinc/75/85/02/455758502.db2.gz HBNPIABHMCKHAO-ZDUSSCGKSA-N 2 2 340.414 3.033 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ncccc2C)C(C)C)CC1 ZINC000271812118 455770234 /nfs/dbraw/zinc/77/02/34/455770234.db2.gz NOJINGJSYIWJTD-LJQANCHMSA-N 2 2 347.503 3.094 20 0 EGADLP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000251640873 455793418 /nfs/dbraw/zinc/79/34/18/455793418.db2.gz FXVGWLDGDZBJOH-ZWNOBZJWSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000251640873 455793422 /nfs/dbraw/zinc/79/34/22/455793422.db2.gz FXVGWLDGDZBJOH-ZWNOBZJWSA-N 2 2 347.684 3.150 20 0 EGADLP Brc1cncc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000186607153 455804290 /nfs/dbraw/zinc/80/42/90/455804290.db2.gz SCFIWZIFEMKQMT-UHFFFAOYSA-N 2 2 345.244 3.443 20 0 EGADLP COc1cccc(OC)c1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000285255674 455813881 /nfs/dbraw/zinc/81/38/81/455813881.db2.gz AXQYMDWSQHUDJW-UHFFFAOYSA-N 2 2 325.412 3.152 20 0 EGADLP [NH3+]CCCCCCC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000269261316 455823617 /nfs/dbraw/zinc/82/36/17/455823617.db2.gz MKSOLWVAWUYZGR-UHFFFAOYSA-N 2 2 342.487 3.041 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253358559 455835140 /nfs/dbraw/zinc/83/51/40/455835140.db2.gz PQHGXXBZAZXJRJ-IRLDBZIGSA-N 2 2 336.479 3.073 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000253358559 455835142 /nfs/dbraw/zinc/83/51/42/455835142.db2.gz PQHGXXBZAZXJRJ-IRLDBZIGSA-N 2 2 336.479 3.073 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)n2c1 ZINC000272074999 455839117 /nfs/dbraw/zinc/83/91/17/455839117.db2.gz VJBUZYFDTLVVPP-AWEZNQCLSA-N 2 2 334.423 3.378 20 0 EGADLP CCC[NH2+][C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000296171218 455871512 /nfs/dbraw/zinc/87/15/12/455871512.db2.gz XEGOEMGZNCVUQY-CQSZACIVSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cscn1 ZINC000272208251 455877254 /nfs/dbraw/zinc/87/72/54/455877254.db2.gz KCSIAQQGCXKKRC-ZDUSSCGKSA-N 2 2 331.489 3.242 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285604080 455880605 /nfs/dbraw/zinc/88/06/05/455880605.db2.gz VLJUWXRHTWMMRY-JWTNVVGKSA-N 2 2 337.467 3.335 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285604080 455880609 /nfs/dbraw/zinc/88/06/09/455880609.db2.gz VLJUWXRHTWMMRY-JWTNVVGKSA-N 2 2 337.467 3.335 20 0 EGADLP C[NH+](CC(=O)Nc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285604080 455880612 /nfs/dbraw/zinc/88/06/12/455880612.db2.gz VLJUWXRHTWMMRY-JWTNVVGKSA-N 2 2 337.467 3.335 20 0 EGADLP C[NH+](CC(=O)Nc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285604080 455880614 /nfs/dbraw/zinc/88/06/14/455880614.db2.gz VLJUWXRHTWMMRY-JWTNVVGKSA-N 2 2 337.467 3.335 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258173 455894646 /nfs/dbraw/zinc/89/46/46/455894646.db2.gz AJVDFGVRNPYDFS-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258173 455894648 /nfs/dbraw/zinc/89/46/48/455894648.db2.gz AJVDFGVRNPYDFS-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258173 455894651 /nfs/dbraw/zinc/89/46/51/455894651.db2.gz AJVDFGVRNPYDFS-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258173 455894653 /nfs/dbraw/zinc/89/46/53/455894653.db2.gz AJVDFGVRNPYDFS-HOCLYGCPSA-N 2 2 328.378 3.154 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000285758411 455910376 /nfs/dbraw/zinc/91/03/76/455910376.db2.gz SBGGCIXZZBDQAZ-IBGZPJMESA-N 2 2 338.499 3.253 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000280193667 455913549 /nfs/dbraw/zinc/91/35/49/455913549.db2.gz HJFAFJVVQDJCIC-BSXFFOKHSA-N 2 2 332.488 3.268 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000280193667 455913550 /nfs/dbraw/zinc/91/35/50/455913550.db2.gz HJFAFJVVQDJCIC-BSXFFOKHSA-N 2 2 332.488 3.268 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000261639095 455918501 /nfs/dbraw/zinc/91/85/01/455918501.db2.gz GAZDIGLXQWMKCS-HXUWFJFHSA-N 2 2 329.488 3.023 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000261639095 455918506 /nfs/dbraw/zinc/91/85/06/455918506.db2.gz GAZDIGLXQWMKCS-HXUWFJFHSA-N 2 2 329.488 3.023 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000261650468 455921470 /nfs/dbraw/zinc/92/14/70/455921470.db2.gz DDTHOYQIPSWPOG-INIZCTEOSA-N 2 2 334.261 3.168 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000261650468 455921471 /nfs/dbraw/zinc/92/14/71/455921471.db2.gz DDTHOYQIPSWPOG-INIZCTEOSA-N 2 2 334.261 3.168 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000261794410 455949094 /nfs/dbraw/zinc/94/90/94/455949094.db2.gz GKVGBHDMNSXZBH-MRXNPFEDSA-N 2 2 347.532 3.149 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000261794410 455949098 /nfs/dbraw/zinc/94/90/98/455949098.db2.gz GKVGBHDMNSXZBH-MRXNPFEDSA-N 2 2 347.532 3.149 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000280413361 455967104 /nfs/dbraw/zinc/96/71/04/455967104.db2.gz YLWRVMZXHHYYDL-SFHVURJKSA-N 2 2 342.462 3.462 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000280413361 455967110 /nfs/dbraw/zinc/96/71/10/455967110.db2.gz YLWRVMZXHHYYDL-SFHVURJKSA-N 2 2 342.462 3.462 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(F)c1Br)Cn1cc[nH+]c1 ZINC000296546150 455969112 /nfs/dbraw/zinc/96/91/12/455969112.db2.gz UFHSSBNTPFCVAI-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000296574188 455977792 /nfs/dbraw/zinc/97/77/92/455977792.db2.gz WJEKHDIUGAZMET-MRXNPFEDSA-N 2 2 341.503 3.271 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000296574188 455977795 /nfs/dbraw/zinc/97/77/95/455977795.db2.gz WJEKHDIUGAZMET-MRXNPFEDSA-N 2 2 341.503 3.271 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)Nc1ccccc1 ZINC000272514544 455978233 /nfs/dbraw/zinc/97/82/33/455978233.db2.gz GVRFLMJZVALZRA-ZDUSSCGKSA-N 2 2 343.393 3.020 20 0 EGADLP C[NH2+]CCC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000261970688 455980148 /nfs/dbraw/zinc/98/01/48/455980148.db2.gz CXWXIOFXDMAPLK-UHFFFAOYSA-N 2 2 341.286 3.463 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000262030991 455987889 /nfs/dbraw/zinc/98/78/89/455987889.db2.gz OCIDICVNYGXPKK-KDOFPFPSSA-N 2 2 326.440 3.150 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000262030991 455987891 /nfs/dbraw/zinc/98/78/91/455987891.db2.gz OCIDICVNYGXPKK-KDOFPFPSSA-N 2 2 326.440 3.150 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562857 455995920 /nfs/dbraw/zinc/99/59/20/455995920.db2.gz UMRJHNFZMWQMSX-RDJZCZTQSA-N 2 2 340.496 3.396 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562857 455995923 /nfs/dbraw/zinc/99/59/23/455995923.db2.gz UMRJHNFZMWQMSX-RDJZCZTQSA-N 2 2 340.496 3.396 20 0 EGADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccs1 ZINC000270632040 456000781 /nfs/dbraw/zinc/00/07/81/456000781.db2.gz GZKZAVXEIGJPJV-KRWDZBQOSA-N 2 2 327.453 3.180 20 0 EGADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1cccs1 ZINC000270632040 456000787 /nfs/dbraw/zinc/00/07/87/456000787.db2.gz GZKZAVXEIGJPJV-KRWDZBQOSA-N 2 2 327.453 3.180 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2nccn2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000262257836 456017510 /nfs/dbraw/zinc/01/75/10/456017510.db2.gz QWXNHZQJJRXLRM-RTWAWAEBSA-N 2 2 346.478 3.106 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nccn2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000262257836 456017514 /nfs/dbraw/zinc/01/75/14/456017514.db2.gz QWXNHZQJJRXLRM-RTWAWAEBSA-N 2 2 346.478 3.106 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2[nH+]1 ZINC000262633436 456048793 /nfs/dbraw/zinc/04/87/93/456048793.db2.gz HMQVCTJNOBQHHX-INIZCTEOSA-N 2 2 336.439 3.414 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCNc2ccccc2)CC1 ZINC000272768121 456065144 /nfs/dbraw/zinc/06/51/44/456065144.db2.gz WVYVIROWOCLHBE-UHFFFAOYSA-N 2 2 329.410 3.495 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cs1 ZINC000226395317 456108976 /nfs/dbraw/zinc/10/89/76/456108976.db2.gz HTEURVPQKRKOST-UHTWSYAYSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Br)cs1 ZINC000226395317 456108984 /nfs/dbraw/zinc/10/89/84/456108984.db2.gz HTEURVPQKRKOST-UHTWSYAYSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000188656059 456105750 /nfs/dbraw/zinc/10/57/50/456105750.db2.gz XFILOFXYARQPTK-INIZCTEOSA-N 2 2 336.442 3.324 20 0 EGADLP Cc1cc(N2CCN(c3cc[nH+]cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000301574132 456150091 /nfs/dbraw/zinc/15/00/91/456150091.db2.gz LRVYLXYTFBUTHB-UHFFFAOYSA-N 2 2 331.851 3.283 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329122 456186243 /nfs/dbraw/zinc/18/62/43/456186243.db2.gz NUNJQKZXGBVIDL-RDJZCZTQSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329122 456186246 /nfs/dbraw/zinc/18/62/46/456186246.db2.gz NUNJQKZXGBVIDL-RDJZCZTQSA-N 2 2 342.430 3.176 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000236830561 456190321 /nfs/dbraw/zinc/19/03/21/456190321.db2.gz UVELRYLECZRNDV-UHFFFAOYSA-N 2 2 338.411 3.359 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000271252256 456192266 /nfs/dbraw/zinc/19/22/66/456192266.db2.gz XGKJOPGXMUJNCS-UHFFFAOYSA-N 2 2 338.492 3.276 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccc(F)cc1 ZINC000301802514 456217230 /nfs/dbraw/zinc/21/72/30/456217230.db2.gz AGFQHPGHBZOQAO-INIZCTEOSA-N 2 2 329.423 3.152 20 0 EGADLP Cc1ccc([C@H](CNc2cc(NCC3CC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000301816303 456222708 /nfs/dbraw/zinc/22/27/08/456222708.db2.gz HAFMFEMHQOLVBG-INIZCTEOSA-N 2 2 341.459 3.449 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000290058268 456229245 /nfs/dbraw/zinc/22/92/45/456229245.db2.gz PFQPOMIKBHQXES-UHFFFAOYSA-N 2 2 348.288 3.389 20 0 EGADLP Cc1cn2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2[nH+]1 ZINC000620648566 460719968 /nfs/dbraw/zinc/71/99/68/460719968.db2.gz DSECMFNCMPIJLV-UHFFFAOYSA-N 2 2 334.423 3.491 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000290109572 456241898 /nfs/dbraw/zinc/24/18/98/456241898.db2.gz YGVWVNVUHDLDPS-LBPRGKRZSA-N 2 2 333.819 3.214 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000290109572 456241906 /nfs/dbraw/zinc/24/19/06/456241906.db2.gz YGVWVNVUHDLDPS-LBPRGKRZSA-N 2 2 333.819 3.214 20 0 EGADLP COc1cncc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000290111951 456243555 /nfs/dbraw/zinc/24/35/55/456243555.db2.gz YJQVQEDUMQSREL-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1cncc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000290111951 456243557 /nfs/dbraw/zinc/24/35/57/456243557.db2.gz YJQVQEDUMQSREL-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297722144 456280217 /nfs/dbraw/zinc/28/02/17/456280217.db2.gz NEVRWLRDJINZCL-LNLFQRSKSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000297722144 456280221 /nfs/dbraw/zinc/28/02/21/456280221.db2.gz NEVRWLRDJINZCL-LNLFQRSKSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297722116 456280406 /nfs/dbraw/zinc/28/04/06/456280406.db2.gz NEVRWLRDJINZCL-AOIWGVFYSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000297722116 456280408 /nfs/dbraw/zinc/28/04/08/456280408.db2.gz NEVRWLRDJINZCL-AOIWGVFYSA-N 2 2 326.488 3.464 20 0 EGADLP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1Cl ZINC000352760190 456281787 /nfs/dbraw/zinc/28/17/87/456281787.db2.gz ACXOOLWEBBNRJA-GFCCVEGCSA-N 2 2 339.892 3.415 20 0 EGADLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340171905 456288209 /nfs/dbraw/zinc/28/82/09/456288209.db2.gz COXRZRKNIYZAJW-MOPGFXCFSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171905 456288219 /nfs/dbraw/zinc/28/82/19/456288219.db2.gz COXRZRKNIYZAJW-MOPGFXCFSA-N 2 2 325.456 3.405 20 0 EGADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C(=O)OC)cc1 ZINC000340174754 456290852 /nfs/dbraw/zinc/29/08/52/456290852.db2.gz FGNCSJLVAYNRFG-GOSISDBHSA-N 2 2 341.455 3.289 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)s1 ZINC000290359351 456304220 /nfs/dbraw/zinc/30/42/20/456304220.db2.gz MQZWLJHENXWUKU-UONOGXRCSA-N 2 2 333.501 3.415 20 0 EGADLP OC[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000281757231 456311321 /nfs/dbraw/zinc/31/13/21/456311321.db2.gz RLSSSLWEKIMEBX-OAQYLSRUSA-N 2 2 333.435 3.186 20 0 EGADLP COc1cccc(OC)c1C[NH2+]Cc1ccc(C[NH+](C)C)c(F)c1 ZINC000352792878 456312846 /nfs/dbraw/zinc/31/28/46/456312846.db2.gz SNYCFBICHRSJTK-UHFFFAOYSA-N 2 2 332.419 3.194 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000340210259 456316360 /nfs/dbraw/zinc/31/63/60/456316360.db2.gz OGKVIOZXNRKEJD-GFCCVEGCSA-N 2 2 329.473 3.204 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)[nH+]1 ZINC000290407552 456319854 /nfs/dbraw/zinc/31/98/54/456319854.db2.gz JWNZCRDSDHNVDP-MRXNPFEDSA-N 2 2 331.423 3.349 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340223316 456323352 /nfs/dbraw/zinc/32/33/52/456323352.db2.gz QUHWOSLEMVSRGY-QZTJIDSGSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340223316 456323355 /nfs/dbraw/zinc/32/33/55/456323355.db2.gz QUHWOSLEMVSRGY-QZTJIDSGSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223362 456324161 /nfs/dbraw/zinc/32/41/61/456324161.db2.gz RVVGMQFUXKUPON-UZLBHIALSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223362 456324164 /nfs/dbraw/zinc/32/41/64/456324164.db2.gz RVVGMQFUXKUPON-UZLBHIALSA-N 2 2 343.515 3.157 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340275528 456356246 /nfs/dbraw/zinc/35/62/46/456356246.db2.gz SVPVMRBKYHSUIA-UZLBHIALSA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340275528 456356252 /nfs/dbraw/zinc/35/62/52/456356252.db2.gz SVPVMRBKYHSUIA-UZLBHIALSA-N 2 2 326.488 3.125 20 0 EGADLP COc1ncccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352840773 456356798 /nfs/dbraw/zinc/35/67/98/456356798.db2.gz XKOQJYBBWVNDKG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ncccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352840773 456356803 /nfs/dbraw/zinc/35/68/03/456356803.db2.gz XKOQJYBBWVNDKG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ncccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352840773 456356805 /nfs/dbraw/zinc/35/68/05/456356805.db2.gz XKOQJYBBWVNDKG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ncccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352840773 456356812 /nfs/dbraw/zinc/35/68/12/456356812.db2.gz XKOQJYBBWVNDKG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352858325 456368234 /nfs/dbraw/zinc/36/82/34/456368234.db2.gz OFIWUSICGZCAQG-OAHLLOKOSA-N 2 2 335.448 3.130 20 0 EGADLP c1csc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)c1 ZINC000298146897 456375869 /nfs/dbraw/zinc/37/58/69/456375869.db2.gz UUIRQPAEYUVUKR-HNNXBMFYSA-N 2 2 328.441 3.110 20 0 EGADLP FC(F)O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000337555373 456378211 /nfs/dbraw/zinc/37/82/11/456378211.db2.gz QWZRWCFXMADLQP-SJORKVTESA-N 2 2 339.430 3.186 20 0 EGADLP Fc1cc(F)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1F ZINC000352878776 456384999 /nfs/dbraw/zinc/38/49/99/456384999.db2.gz UPAAJGWOUFXQEI-UHFFFAOYSA-N 2 2 342.405 3.038 20 0 EGADLP c1ccc(OCc2ccncc2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000340385822 456431319 /nfs/dbraw/zinc/43/13/19/456431319.db2.gz BVGZBFRYJISOTI-UHFFFAOYSA-N 2 2 337.467 3.377 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913985 456436125 /nfs/dbraw/zinc/43/61/25/456436125.db2.gz UWYZLYYOFMASMA-ROUUACIJSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913985 456436130 /nfs/dbraw/zinc/43/61/30/456436130.db2.gz UWYZLYYOFMASMA-ROUUACIJSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913985 456436136 /nfs/dbraw/zinc/43/61/36/456436136.db2.gz UWYZLYYOFMASMA-ROUUACIJSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913985 456436140 /nfs/dbraw/zinc/43/61/40/456436140.db2.gz UWYZLYYOFMASMA-ROUUACIJSA-N 2 2 343.519 3.168 20 0 EGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000282187643 456437496 /nfs/dbraw/zinc/43/74/96/456437496.db2.gz NDXQJTMUZNDHHV-IMFGXOCKSA-N 2 2 331.504 3.402 20 0 EGADLP COC(=O)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000343157540 456440600 /nfs/dbraw/zinc/44/06/00/456440600.db2.gz FRRGSKDXQWXAFP-UHFFFAOYSA-N 2 2 335.407 3.008 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CSC[C@@H]3C)c[nH+]c12 ZINC000353031119 456449125 /nfs/dbraw/zinc/44/91/25/456449125.db2.gz BCMYYLXYWZJAOW-GXFFZTMASA-N 2 2 340.290 3.246 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)nc(C)[nH+]1 ZINC000343230811 456470095 /nfs/dbraw/zinc/47/00/95/456470095.db2.gz WGBHOAQCFNCFOG-UHFFFAOYSA-N 2 2 330.863 3.377 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456260 456471220 /nfs/dbraw/zinc/47/12/20/456471220.db2.gz PUCOXPVIFMIUAK-OFQRWUPVSA-N 2 2 328.435 3.287 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456260 456471226 /nfs/dbraw/zinc/47/12/26/456471226.db2.gz PUCOXPVIFMIUAK-OFQRWUPVSA-N 2 2 328.435 3.287 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340519837 456507241 /nfs/dbraw/zinc/50/72/41/456507241.db2.gz NMTWIONKEVKAKQ-JTDSTZFVSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340519837 456507247 /nfs/dbraw/zinc/50/72/47/456507247.db2.gz NMTWIONKEVKAKQ-JTDSTZFVSA-N 2 2 325.456 3.404 20 0 EGADLP COc1ccc2c(c1OC)CC[N@@H+](CCCc1c[nH+]ccc1C)C2 ZINC000348136172 456508925 /nfs/dbraw/zinc/50/89/25/456508925.db2.gz XDLSZRZQBQZCKC-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP COc1ccc2c(c1OC)CC[N@H+](CCCc1c[nH+]ccc1C)C2 ZINC000348136172 456508929 /nfs/dbraw/zinc/50/89/29/456508929.db2.gz XDLSZRZQBQZCKC-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP Cc1noc(C)c1C[NH+](CCCn1cc[nH+]c1)Cc1c(C)noc1C ZINC000343323736 456531284 /nfs/dbraw/zinc/53/12/84/456531284.db2.gz VWFIGKQCIBPCCM-UHFFFAOYSA-N 2 2 343.431 3.185 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+]1CCCC1 ZINC000340585125 456546915 /nfs/dbraw/zinc/54/69/15/456546915.db2.gz WDSYKJSJAJBWFW-UKRRQHHQSA-N 2 2 329.271 3.027 20 0 EGADLP CC(C)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679120 456549282 /nfs/dbraw/zinc/54/92/82/456549282.db2.gz VWGAVSFFFAWCNK-QZTJIDSGSA-N 2 2 340.471 3.135 20 0 EGADLP CC(C)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679120 456549289 /nfs/dbraw/zinc/54/92/89/456549289.db2.gz VWGAVSFFFAWCNK-QZTJIDSGSA-N 2 2 340.471 3.135 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000348309380 456613415 /nfs/dbraw/zinc/61/34/15/456613415.db2.gz GFDMHKUGTYHGRP-IRXDYDNUSA-N 2 2 333.524 3.073 20 0 EGADLP Clc1cnccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348330385 456627803 /nfs/dbraw/zinc/62/78/03/456627803.db2.gz XHMCOOHLZZEBGS-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP Clc1cnccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348330385 456627809 /nfs/dbraw/zinc/62/78/09/456627809.db2.gz XHMCOOHLZZEBGS-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP Clc1cnccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348330385 456627818 /nfs/dbraw/zinc/62/78/18/456627818.db2.gz XHMCOOHLZZEBGS-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP Clc1cnccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348330385 456627824 /nfs/dbraw/zinc/62/78/24/456627824.db2.gz XHMCOOHLZZEBGS-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000337997217 456644660 /nfs/dbraw/zinc/64/46/60/456644660.db2.gz LQRKLXRBVYOIBE-AZUAARDMSA-N 3 2 348.510 3.102 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000299354890 456666544 /nfs/dbraw/zinc/66/65/44/456666544.db2.gz PHWFUHSJHNUFQM-WBVHZDCISA-N 2 2 347.459 3.161 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000299354890 456666550 /nfs/dbraw/zinc/66/65/50/456666550.db2.gz PHWFUHSJHNUFQM-WBVHZDCISA-N 2 2 347.459 3.161 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000299366983 456670954 /nfs/dbraw/zinc/67/09/54/456670954.db2.gz PYNPASIODYOMFE-KKSFZXQISA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000299366983 456670964 /nfs/dbraw/zinc/67/09/64/456670964.db2.gz PYNPASIODYOMFE-KKSFZXQISA-N 2 2 339.483 3.399 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1C(F)F ZINC000277110040 456683053 /nfs/dbraw/zinc/68/30/53/456683053.db2.gz HBROQDMXSMOBGK-UHFFFAOYSA-N 2 2 325.407 3.029 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1C(F)F ZINC000277110040 456683057 /nfs/dbraw/zinc/68/30/57/456683057.db2.gz HBROQDMXSMOBGK-UHFFFAOYSA-N 2 2 325.407 3.029 20 0 EGADLP [NH3+]C[C@H]1Cc2ccccc2N(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000328470413 456712765 /nfs/dbraw/zinc/71/27/65/456712765.db2.gz ZJFRWVPGQJFXNK-CYBMUJFWSA-N 2 2 326.831 3.125 20 0 EGADLP CC(C)CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496150 456715078 /nfs/dbraw/zinc/71/50/78/456715078.db2.gz LECUXBIEWDKPET-MOPGFXCFSA-N 2 2 349.519 3.289 20 0 EGADLP CC(C)CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496150 456715083 /nfs/dbraw/zinc/71/50/83/456715083.db2.gz LECUXBIEWDKPET-MOPGFXCFSA-N 2 2 349.519 3.289 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000283178221 456730123 /nfs/dbraw/zinc/73/01/23/456730123.db2.gz JQZKTWQDVHHVAZ-MSOLQXFVSA-N 2 2 327.428 3.045 20 0 EGADLP CSc1cccc(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000299573230 456731823 /nfs/dbraw/zinc/73/18/23/456731823.db2.gz ONPMPKRNPXSPRJ-UHFFFAOYSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1cccc(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000299573230 456731829 /nfs/dbraw/zinc/73/18/29/456731829.db2.gz ONPMPKRNPXSPRJ-UHFFFAOYSA-N 2 2 335.517 3.152 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277252968 456745655 /nfs/dbraw/zinc/74/56/55/456745655.db2.gz QJLWJULRWUNJKP-QKLQHJQFSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277252968 456745660 /nfs/dbraw/zinc/74/56/60/456745660.db2.gz QJLWJULRWUNJKP-QKLQHJQFSA-N 2 2 345.531 3.231 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c(OC)n1 ZINC000353555200 456756729 /nfs/dbraw/zinc/75/67/29/456756729.db2.gz BSORMXAQLHHFRZ-YJBOKZPZSA-N 2 2 347.503 3.232 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C12CCCC2 ZINC000344161568 456802527 /nfs/dbraw/zinc/80/25/27/456802527.db2.gz GQZKQRTXKODZPV-MSOLQXFVSA-N 2 2 338.536 3.203 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000344186907 456803824 /nfs/dbraw/zinc/80/38/24/456803824.db2.gz FXZMVWHZXQHYOL-RXVVDRJESA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)[C@@H](C)C1 ZINC000344186907 456803830 /nfs/dbraw/zinc/80/38/30/456803830.db2.gz FXZMVWHZXQHYOL-RXVVDRJESA-N 3 2 329.532 3.348 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353616520 456806758 /nfs/dbraw/zinc/80/67/58/456806758.db2.gz AVSSHVYQKVNQPK-HMXCVIKNSA-N 2 2 338.499 3.499 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353616520 456806765 /nfs/dbraw/zinc/80/67/65/456806765.db2.gz AVSSHVYQKVNQPK-HMXCVIKNSA-N 2 2 338.499 3.499 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000344302324 456815861 /nfs/dbraw/zinc/81/58/61/456815861.db2.gz KTFOOGHKZJXACB-GOSISDBHSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000344302324 456815865 /nfs/dbraw/zinc/81/58/65/456815865.db2.gz KTFOOGHKZJXACB-GOSISDBHSA-N 2 2 340.471 3.109 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CO2 ZINC000341286053 456832353 /nfs/dbraw/zinc/83/23/53/456832353.db2.gz RCZKCRUFDMBMLV-SFHVURJKSA-N 2 2 343.858 3.423 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)c[nH+]1 ZINC000353656256 456834621 /nfs/dbraw/zinc/83/46/21/456834621.db2.gz DIINFMISZIAGIO-UHFFFAOYSA-N 2 2 333.439 3.097 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCn3c(nnc3-c3ccccc3)C2)c[nH+]1 ZINC000353656256 456834628 /nfs/dbraw/zinc/83/46/28/456834628.db2.gz DIINFMISZIAGIO-UHFFFAOYSA-N 2 2 333.439 3.097 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCc3ccccc3OC2)c[nH+]1 ZINC000353660173 456837648 /nfs/dbraw/zinc/83/76/48/456837648.db2.gz LZUDPBLQWDKREV-FQEVSTJZSA-N 2 2 333.435 3.415 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353791929 456907703 /nfs/dbraw/zinc/90/77/03/456907703.db2.gz GRBHOZZLDNCQJF-FNHZYXHNSA-N 2 2 340.471 3.216 20 0 EGADLP CCN(CC)c1ccc(CNc2cc[nH+]cc2Br)c[nH+]1 ZINC000341729949 456919045 /nfs/dbraw/zinc/91/90/45/456919045.db2.gz NLQLRMAVACPOGO-UHFFFAOYSA-N 2 2 335.249 3.119 20 0 EGADLP Cc1ccc(CCCNc2cccc(C[NH+]3CCC(O)CC3)c2)c[nH+]1 ZINC000353823152 456923146 /nfs/dbraw/zinc/92/31/46/456923146.db2.gz FZFJRBJLKZCZSB-UHFFFAOYSA-N 2 2 339.483 3.391 20 0 EGADLP Cc1cccc2[nH+]cc(CN(CC[NH+](C)C)Cc3cccs3)n21 ZINC000349287950 456932676 /nfs/dbraw/zinc/93/26/76/456932676.db2.gz VOCSARTZWSUIDX-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000349316262 456938848 /nfs/dbraw/zinc/93/88/48/456938848.db2.gz WIWOYJAOEPDMBL-TWOQFEAHSA-N 2 2 327.472 3.302 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000349320385 456940705 /nfs/dbraw/zinc/94/07/05/456940705.db2.gz VINWMWCZZDNGJM-WMLDXEAASA-N 2 2 334.460 3.199 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101997 456941205 /nfs/dbraw/zinc/94/12/05/456941205.db2.gz IKBLTMWGMLRUJG-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101997 456941209 /nfs/dbraw/zinc/94/12/09/456941209.db2.gz IKBLTMWGMLRUJG-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101997 456941210 /nfs/dbraw/zinc/94/12/10/456941210.db2.gz IKBLTMWGMLRUJG-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101997 456941214 /nfs/dbraw/zinc/94/12/14/456941214.db2.gz IKBLTMWGMLRUJG-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP CC1CC[NH+]([C@H](CNc2[nH+]cnc3[nH]ccc32)c2ccccc2)CC1 ZINC000339142435 456961027 /nfs/dbraw/zinc/96/10/27/456961027.db2.gz NIQLBIBEHVJIRC-GOSISDBHSA-N 2 2 335.455 3.265 20 0 EGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353950501 456976607 /nfs/dbraw/zinc/97/66/07/456976607.db2.gz CGFDTKICUSBXSA-BXUKJBHISA-N 2 2 349.563 3.120 20 0 EGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353950501 456976609 /nfs/dbraw/zinc/97/66/09/456976609.db2.gz CGFDTKICUSBXSA-BXUKJBHISA-N 2 2 349.563 3.120 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000339180746 456980529 /nfs/dbraw/zinc/98/05/29/456980529.db2.gz HLIGEKLZMSQPOP-DLBZAZTESA-N 2 2 347.503 3.254 20 0 EGADLP CC[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000353982908 456989096 /nfs/dbraw/zinc/98/90/96/456989096.db2.gz IWFFCURRJUUDOB-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000353982908 456989099 /nfs/dbraw/zinc/98/90/99/456989099.db2.gz IWFFCURRJUUDOB-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP COc1ccsc1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000349613004 456995460 /nfs/dbraw/zinc/99/54/60/456995460.db2.gz AOPMRUSWOANELO-UHFFFAOYSA-N 2 2 346.500 3.301 20 0 EGADLP Cc1ccn2c(CN3CC[NH+](Cc4cccc(C)c4)CC3)c[nH+]c2c1 ZINC000349619134 456997808 /nfs/dbraw/zinc/99/78/08/456997808.db2.gz XVKPELQAADNHIQ-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346498862 457046740 /nfs/dbraw/zinc/04/67/40/457046740.db2.gz KRPGBSDHMIIIPP-SUMWQHHRSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346498862 457046746 /nfs/dbraw/zinc/04/67/46/457046746.db2.gz KRPGBSDHMIIIPP-SUMWQHHRSA-N 2 2 345.830 3.215 20 0 EGADLP Cc1[nH+]cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087840 457054792 /nfs/dbraw/zinc/05/47/92/457054792.db2.gz HAASWFPGKMUUEJ-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1[nH+]cc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087840 457054799 /nfs/dbraw/zinc/05/47/99/457054799.db2.gz HAASWFPGKMUUEJ-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087840 457054804 /nfs/dbraw/zinc/05/48/04/457054804.db2.gz HAASWFPGKMUUEJ-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087840 457054809 /nfs/dbraw/zinc/05/48/09/457054809.db2.gz HAASWFPGKMUUEJ-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087840 457054817 /nfs/dbraw/zinc/05/48/17/457054817.db2.gz HAASWFPGKMUUEJ-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087840 457054821 /nfs/dbraw/zinc/05/48/21/457054821.db2.gz HAASWFPGKMUUEJ-LJQANCHMSA-N 2 2 338.499 3.344 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000356579043 457066098 /nfs/dbraw/zinc/06/60/98/457066098.db2.gz PSINDPBCWFKCIV-IAGOWNOFSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1C ZINC000356579043 457066104 /nfs/dbraw/zinc/06/61/04/457066104.db2.gz PSINDPBCWFKCIV-IAGOWNOFSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1C ZINC000356579043 457066111 /nfs/dbraw/zinc/06/61/11/457066111.db2.gz PSINDPBCWFKCIV-IAGOWNOFSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1C ZINC000356579043 457066117 /nfs/dbraw/zinc/06/61/17/457066117.db2.gz PSINDPBCWFKCIV-IAGOWNOFSA-N 2 2 348.487 3.461 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[NH+](C(C)C)C(C)C)c1C ZINC000356591568 457072392 /nfs/dbraw/zinc/07/23/92/457072392.db2.gz XIVINNOGCVOOBJ-UHFFFAOYSA-N 2 2 327.476 3.108 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](CCCc3cccc4ccccc43)CC2)[nH]1 ZINC000346641480 457086431 /nfs/dbraw/zinc/08/64/31/457086431.db2.gz LJFPXBIEAKPKJZ-UHFFFAOYSA-N 2 2 334.467 3.313 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)nn1 ZINC000342064429 457086683 /nfs/dbraw/zinc/08/66/83/457086683.db2.gz QOYGSULTDBYRLZ-UHFFFAOYSA-N 2 2 349.482 3.187 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)nn1 ZINC000342064429 457086690 /nfs/dbraw/zinc/08/66/90/457086690.db2.gz QOYGSULTDBYRLZ-UHFFFAOYSA-N 2 2 349.482 3.187 20 0 EGADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000354134305 457087137 /nfs/dbraw/zinc/08/71/37/457087137.db2.gz RDGQSTDFVXGGEE-LJQANCHMSA-N 2 2 329.532 3.363 20 0 EGADLP Brc1c[nH+]ccc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000362800524 457099522 /nfs/dbraw/zinc/09/95/22/457099522.db2.gz GVPSNQKRIJGBJG-UHFFFAOYSA-N 2 2 335.230 3.125 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693500 457114246 /nfs/dbraw/zinc/11/42/46/457114246.db2.gz NKQUXSBGDNZSBM-GXSJLCMTSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693500 457114250 /nfs/dbraw/zinc/11/42/50/457114250.db2.gz NKQUXSBGDNZSBM-GXSJLCMTSA-N 2 2 349.219 3.220 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433478 457117110 /nfs/dbraw/zinc/11/71/10/457117110.db2.gz LPGYWYZZKHRZGU-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433478 457117117 /nfs/dbraw/zinc/11/71/17/457117117.db2.gz LPGYWYZZKHRZGU-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433478 457117123 /nfs/dbraw/zinc/11/71/23/457117123.db2.gz LPGYWYZZKHRZGU-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433478 457117128 /nfs/dbraw/zinc/11/71/28/457117128.db2.gz LPGYWYZZKHRZGU-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP CC(C)(C)[C@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152048 457138040 /nfs/dbraw/zinc/13/80/40/457138040.db2.gz BLKAVXFRGHMSFG-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152048 457138044 /nfs/dbraw/zinc/13/80/44/457138044.db2.gz BLKAVXFRGHMSFG-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152048 457138050 /nfs/dbraw/zinc/13/80/50/457138050.db2.gz BLKAVXFRGHMSFG-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152048 457138052 /nfs/dbraw/zinc/13/80/52/457138052.db2.gz BLKAVXFRGHMSFG-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1 ZINC000359946301 457164289 /nfs/dbraw/zinc/16/42/89/457164289.db2.gz JFKSOAJHESVVIL-INIZCTEOSA-N 2 2 329.492 3.138 20 0 EGADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356836563 457182392 /nfs/dbraw/zinc/18/23/92/457182392.db2.gz BRMXTODRTPWFFK-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356836563 457182399 /nfs/dbraw/zinc/18/23/99/457182399.db2.gz BRMXTODRTPWFFK-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)n21 ZINC000342299571 457222447 /nfs/dbraw/zinc/22/24/47/457222447.db2.gz BQFBGVLERFJCKE-FXAWDEMLSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)n21 ZINC000342299571 457222448 /nfs/dbraw/zinc/22/24/48/457222448.db2.gz BQFBGVLERFJCKE-FXAWDEMLSA-N 2 2 334.467 3.395 20 0 EGADLP Fc1cc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000347095562 457227749 /nfs/dbraw/zinc/22/77/49/457227749.db2.gz RSTSWKGTZAORIR-HNNXBMFYSA-N 2 2 336.794 3.406 20 0 EGADLP Fc1cc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Cl ZINC000347095562 457227751 /nfs/dbraw/zinc/22/77/51/457227751.db2.gz RSTSWKGTZAORIR-HNNXBMFYSA-N 2 2 336.794 3.406 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1C ZINC000354486732 457253276 /nfs/dbraw/zinc/25/32/76/457253276.db2.gz BCIWIQLWCPJBPE-LEAZDLGRSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H]1C ZINC000354486732 457253281 /nfs/dbraw/zinc/25/32/81/457253281.db2.gz BCIWIQLWCPJBPE-LEAZDLGRSA-N 2 2 344.499 3.218 20 0 EGADLP CCCCCC[C@H](CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363226053 457263695 /nfs/dbraw/zinc/26/36/95/457263695.db2.gz QTPWBSNJFJARNR-ROUUACIJSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@H](CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363226053 457263705 /nfs/dbraw/zinc/26/37/05/457263705.db2.gz QTPWBSNJFJARNR-ROUUACIJSA-N 2 2 337.552 3.268 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)s1 ZINC000342411575 457288478 /nfs/dbraw/zinc/28/84/78/457288478.db2.gz CKILOZWSKCTMKM-WBVHZDCISA-N 2 2 331.485 3.215 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000339832480 457298316 /nfs/dbraw/zinc/29/83/16/457298316.db2.gz BUBWZPBDSFMBQU-UHFFFAOYSA-N 2 2 325.456 3.107 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000332077128 457299144 /nfs/dbraw/zinc/29/91/44/457299144.db2.gz ZBEGMTPNRIVIJW-USXIJHARSA-N 2 2 345.491 3.160 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000357095450 457319349 /nfs/dbraw/zinc/31/93/49/457319349.db2.gz PXXRNMCELGGVQH-UHFFFAOYSA-N 2 2 344.503 3.315 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352016824 457332916 /nfs/dbraw/zinc/33/29/16/457332916.db2.gz ZYWPYQFAFKYDLQ-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352016824 457332920 /nfs/dbraw/zinc/33/29/20/457332920.db2.gz ZYWPYQFAFKYDLQ-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000357238029 457392720 /nfs/dbraw/zinc/39/27/20/457392720.db2.gz PCENHVGGAITXQL-CQSZACIVSA-N 2 2 341.484 3.326 20 0 EGADLP CCc1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc(C)[nH+]1 ZINC000342636036 457419663 /nfs/dbraw/zinc/41/96/63/457419663.db2.gz MTGMLAHIKSGUKX-UHFFFAOYSA-N 2 2 334.414 3.194 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105724 457439045 /nfs/dbraw/zinc/43/90/45/457439045.db2.gz IHZNCQZNYHXKSM-RHSMWYFYSA-N 2 2 348.450 3.290 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105724 457439053 /nfs/dbraw/zinc/43/90/53/457439053.db2.gz IHZNCQZNYHXKSM-RHSMWYFYSA-N 2 2 348.450 3.290 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352535452 457446411 /nfs/dbraw/zinc/44/64/11/457446411.db2.gz QSIZGYMECCGQBV-CQSZACIVSA-N 2 2 326.868 3.451 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352535452 457446413 /nfs/dbraw/zinc/44/64/13/457446413.db2.gz QSIZGYMECCGQBV-CQSZACIVSA-N 2 2 326.868 3.451 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000360941841 457449219 /nfs/dbraw/zinc/44/92/19/457449219.db2.gz MNLDJWOKUMGFAD-SFHVURJKSA-N 3 2 344.528 3.396 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000360955006 457464127 /nfs/dbraw/zinc/46/41/27/457464127.db2.gz ISKLCISQMFQEQL-CABCVRRESA-N 2 2 332.448 3.320 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000357361822 457473066 /nfs/dbraw/zinc/47/30/66/457473066.db2.gz YXDQYZXLWFLCEX-MAUKXSAKSA-N 2 2 327.497 3.414 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000357361822 457473071 /nfs/dbraw/zinc/47/30/71/457473071.db2.gz YXDQYZXLWFLCEX-MAUKXSAKSA-N 2 2 327.497 3.414 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000357364355 457475321 /nfs/dbraw/zinc/47/53/21/457475321.db2.gz MHHRTYCYMQICCP-IRXDYDNUSA-N 2 2 332.492 3.119 20 0 EGADLP CC(C)[NH+](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000356172286 457504672 /nfs/dbraw/zinc/50/46/72/457504672.db2.gz XLWRTKVZPKLSMG-UHFFFAOYSA-N 2 2 328.460 3.063 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399142021 457506896 /nfs/dbraw/zinc/50/68/96/457506896.db2.gz CHNDBBQBHYDKDS-MRXNPFEDSA-N 2 2 331.485 3.154 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399142021 457506901 /nfs/dbraw/zinc/50/69/01/457506901.db2.gz CHNDBBQBHYDKDS-MRXNPFEDSA-N 2 2 331.485 3.154 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000342765651 457510389 /nfs/dbraw/zinc/51/03/89/457510389.db2.gz POYPPWHPJYEZMN-INIZCTEOSA-N 2 2 326.444 3.288 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000374209522 457523530 /nfs/dbraw/zinc/52/35/30/457523530.db2.gz CACDIPRFZCPLFF-UHFFFAOYSA-N 2 2 348.491 3.236 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc3c[nH]nc3c2)CC1 ZINC000342807081 457538618 /nfs/dbraw/zinc/53/86/18/457538618.db2.gz WDMVEXOIWHHSDI-UHFFFAOYSA-N 2 2 340.393 3.112 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1CC[NH3+] ZINC000404343215 457540747 /nfs/dbraw/zinc/54/07/47/457540747.db2.gz FUYNQJBIKRLXLT-BXUZGUMPSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1CC[NH3+] ZINC000404343215 457540751 /nfs/dbraw/zinc/54/07/51/457540751.db2.gz FUYNQJBIKRLXLT-BXUZGUMPSA-N 2 2 344.286 3.381 20 0 EGADLP COc1ccc(F)cc1C[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000361120671 457594850 /nfs/dbraw/zinc/59/48/50/457594850.db2.gz CGCVBWCABXIYON-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000361120671 457594854 /nfs/dbraw/zinc/59/48/54/457594854.db2.gz CGCVBWCABXIYON-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000361120671 457594856 /nfs/dbraw/zinc/59/48/56/457594856.db2.gz CGCVBWCABXIYON-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000361120671 457594860 /nfs/dbraw/zinc/59/48/60/457594860.db2.gz CGCVBWCABXIYON-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000361120667 457595123 /nfs/dbraw/zinc/59/51/23/457595123.db2.gz CGCVBWCABXIYON-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000361120667 457595127 /nfs/dbraw/zinc/59/51/27/457595127.db2.gz CGCVBWCABXIYON-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000361120667 457595133 /nfs/dbraw/zinc/59/51/33/457595133.db2.gz CGCVBWCABXIYON-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000361120667 457595138 /nfs/dbraw/zinc/59/51/38/457595138.db2.gz CGCVBWCABXIYON-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP Cn1c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c2cccc(F)c21 ZINC000409664390 457611452 /nfs/dbraw/zinc/61/14/52/457611452.db2.gz WYIXJZLUHJVATJ-MRXNPFEDSA-N 2 2 338.430 3.068 20 0 EGADLP Cn1c(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]c2cccc(F)c21 ZINC000409664390 457611456 /nfs/dbraw/zinc/61/14/56/457611456.db2.gz WYIXJZLUHJVATJ-MRXNPFEDSA-N 2 2 338.430 3.068 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)nc2c1 ZINC000361157311 457620415 /nfs/dbraw/zinc/62/04/15/457620415.db2.gz VVZDRFWDSHUVNO-YLJYHZDGSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)nc2c1 ZINC000361157311 457620420 /nfs/dbraw/zinc/62/04/20/457620420.db2.gz VVZDRFWDSHUVNO-YLJYHZDGSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1nc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000361163218 457622378 /nfs/dbraw/zinc/62/23/78/457622378.db2.gz XBJCLDODEXWWOY-HNNXBMFYSA-N 2 2 334.826 3.248 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646884 457638921 /nfs/dbraw/zinc/63/89/21/457638921.db2.gz ITZWFLIWHOPNBS-LBPRGKRZSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646884 457638924 /nfs/dbraw/zinc/63/89/24/457638924.db2.gz ITZWFLIWHOPNBS-LBPRGKRZSA-N 2 2 331.287 3.443 20 0 EGADLP COCc1cc(N(C)CCC[NH+]2CCCC2)c2cc(F)ccc2[nH+]1 ZINC000357684098 457654772 /nfs/dbraw/zinc/65/47/72/457654772.db2.gz JSLXVMZRQMTJAD-UHFFFAOYSA-N 2 2 331.435 3.442 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944645 457657298 /nfs/dbraw/zinc/65/72/98/457657298.db2.gz NTBTWSPSFWVJMI-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944645 457657303 /nfs/dbraw/zinc/65/73/03/457657303.db2.gz NTBTWSPSFWVJMI-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425944645 457657308 /nfs/dbraw/zinc/65/73/08/457657308.db2.gz NTBTWSPSFWVJMI-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425944645 457657315 /nfs/dbraw/zinc/65/73/15/457657315.db2.gz NTBTWSPSFWVJMI-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000357717683 457667398 /nfs/dbraw/zinc/66/73/98/457667398.db2.gz XYFGLSUYHQIWFC-SJLPKXTDSA-N 2 2 346.519 3.092 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717015 457679792 /nfs/dbraw/zinc/67/97/92/457679792.db2.gz NYBIDEHLJGYBLY-CMKODMSKSA-N 2 2 330.520 3.481 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717015 457679794 /nfs/dbraw/zinc/67/97/94/457679794.db2.gz NYBIDEHLJGYBLY-CMKODMSKSA-N 2 2 330.520 3.481 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717015 457679797 /nfs/dbraw/zinc/67/97/97/457679797.db2.gz NYBIDEHLJGYBLY-CMKODMSKSA-N 2 2 330.520 3.481 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717015 457679798 /nfs/dbraw/zinc/67/97/98/457679798.db2.gz NYBIDEHLJGYBLY-CMKODMSKSA-N 2 2 330.520 3.481 20 0 EGADLP Clc1cccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000358016353 457740595 /nfs/dbraw/zinc/74/05/95/457740595.db2.gz MSZZDFMLFMUWCP-UHFFFAOYSA-N 2 2 345.874 3.368 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)Oc1ccccc1 ZINC000361480880 457745586 /nfs/dbraw/zinc/74/55/86/457745586.db2.gz HHNSJFXLHLWVKL-UHFFFAOYSA-N 2 2 339.483 3.493 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)s2)cn1 ZINC000375023692 457761127 /nfs/dbraw/zinc/76/11/27/457761127.db2.gz NEIFFKBTIGVHNP-ZDUSSCGKSA-N 2 2 327.457 3.251 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)s2)cn1 ZINC000375023692 457761132 /nfs/dbraw/zinc/76/11/32/457761132.db2.gz NEIFFKBTIGVHNP-ZDUSSCGKSA-N 2 2 327.457 3.251 20 0 EGADLP CSC1(C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000433178331 457770796 /nfs/dbraw/zinc/77/07/96/457770796.db2.gz FYVZUAYXJRNSPT-UHFFFAOYSA-N 2 2 340.290 3.390 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nnc2ccccn21 ZINC000358079425 457771306 /nfs/dbraw/zinc/77/13/06/457771306.db2.gz FLACGQNOZBKXJW-HNNXBMFYSA-N 2 2 327.476 3.177 20 0 EGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCSC1 ZINC000433185748 457773572 /nfs/dbraw/zinc/77/35/72/457773572.db2.gz FUXSLMUKIOTQFB-SFHVURJKSA-N 2 2 331.485 3.216 20 0 EGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCSC1 ZINC000433185748 457773576 /nfs/dbraw/zinc/77/35/76/457773576.db2.gz FUXSLMUKIOTQFB-SFHVURJKSA-N 2 2 331.485 3.216 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358087977 457778546 /nfs/dbraw/zinc/77/85/46/457778546.db2.gz RFUVCZDCFHDDNM-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358087977 457778550 /nfs/dbraw/zinc/77/85/50/457778550.db2.gz RFUVCZDCFHDDNM-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000358124422 457800759 /nfs/dbraw/zinc/80/07/59/457800759.db2.gz NEPJYQKXACVSCS-ZDUSSCGKSA-N 2 2 345.830 3.303 20 0 EGADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000358124422 457800767 /nfs/dbraw/zinc/80/07/67/457800767.db2.gz NEPJYQKXACVSCS-ZDUSSCGKSA-N 2 2 345.830 3.303 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)o1 ZINC000426350299 457808804 /nfs/dbraw/zinc/80/88/04/457808804.db2.gz WYXZJSVDNXIJHO-RDJZCZTQSA-N 2 2 337.508 3.162 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)o1 ZINC000426350299 457808810 /nfs/dbraw/zinc/80/88/10/457808810.db2.gz WYXZJSVDNXIJHO-RDJZCZTQSA-N 2 2 337.508 3.162 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160639 457824613 /nfs/dbraw/zinc/82/46/13/457824613.db2.gz SXEZNXRCVXBYPS-WFASDCNBSA-N 2 2 334.414 3.046 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160639 457824617 /nfs/dbraw/zinc/82/46/17/457824617.db2.gz SXEZNXRCVXBYPS-WFASDCNBSA-N 2 2 334.414 3.046 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160638 457825126 /nfs/dbraw/zinc/82/51/26/457825126.db2.gz SXEZNXRCVXBYPS-SWLSCSKDSA-N 2 2 334.414 3.046 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358160638 457825133 /nfs/dbraw/zinc/82/51/33/457825133.db2.gz SXEZNXRCVXBYPS-SWLSCSKDSA-N 2 2 334.414 3.046 20 0 EGADLP c1cnn([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000361748858 457831195 /nfs/dbraw/zinc/83/11/95/457831195.db2.gz IDEUZONGVNTBIG-PMACEKPBSA-N 2 2 339.487 3.016 20 0 EGADLP c1cnn([C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000361748859 457831547 /nfs/dbraw/zinc/83/15/47/457831547.db2.gz IDEUZONGVNTBIG-UXHICEINSA-N 2 2 339.487 3.016 20 0 EGADLP c1cnn([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000361748861 457831934 /nfs/dbraw/zinc/83/19/34/457831934.db2.gz IDEUZONGVNTBIG-WOJBJXKFSA-N 2 2 339.487 3.016 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000366608543 457868993 /nfs/dbraw/zinc/86/89/93/457868993.db2.gz MWZLXWLHIAZMQD-GOSISDBHSA-N 2 2 340.471 3.332 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254451 457890982 /nfs/dbraw/zinc/89/09/82/457890982.db2.gz PQLNSKFCPWVFNU-NQIIRXRSSA-N 2 2 346.515 3.162 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358254451 457890987 /nfs/dbraw/zinc/89/09/87/457890987.db2.gz PQLNSKFCPWVFNU-NQIIRXRSSA-N 2 2 346.515 3.162 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCC[NH+]2CCCCC2)cn1 ZINC000444626424 457921699 /nfs/dbraw/zinc/92/16/99/457921699.db2.gz UBFRDNJDNIUJFZ-FQEVSTJZSA-N 2 2 344.478 3.456 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCC[NH+]2CCCCC2)cn1 ZINC000444626424 457921703 /nfs/dbraw/zinc/92/17/03/457921703.db2.gz UBFRDNJDNIUJFZ-FQEVSTJZSA-N 2 2 344.478 3.456 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876084 457923398 /nfs/dbraw/zinc/92/33/98/457923398.db2.gz CQBRCLOGBJEZCG-JXFKEZNVSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876084 457923401 /nfs/dbraw/zinc/92/34/01/457923401.db2.gz CQBRCLOGBJEZCG-JXFKEZNVSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433998458 457929021 /nfs/dbraw/zinc/92/90/21/457929021.db2.gz GHCULOKAQHLULW-POAQFYNOSA-N 2 2 327.472 3.499 20 0 EGADLP C[C@@H](CC1CCOCC1)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025744 457934212 /nfs/dbraw/zinc/93/42/12/457934212.db2.gz PHBURAIQAHOMFB-YYWHXJBOSA-N 2 2 345.531 3.459 20 0 EGADLP C[C@@H](CC1CCOCC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025744 457934214 /nfs/dbraw/zinc/93/42/14/457934214.db2.gz PHBURAIQAHOMFB-YYWHXJBOSA-N 2 2 345.531 3.459 20 0 EGADLP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434025744 457934219 /nfs/dbraw/zinc/93/42/19/457934219.db2.gz PHBURAIQAHOMFB-YYWHXJBOSA-N 2 2 345.531 3.459 20 0 EGADLP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434025744 457934224 /nfs/dbraw/zinc/93/42/24/457934224.db2.gz PHBURAIQAHOMFB-YYWHXJBOSA-N 2 2 345.531 3.459 20 0 EGADLP Cn1cnc2cc(C[N@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)ccc21 ZINC000434025745 457934276 /nfs/dbraw/zinc/93/42/76/457934276.db2.gz PHHCWLTXFHQOOW-RXVVDRJESA-N 2 2 349.482 3.093 20 0 EGADLP Cn1cnc2cc(C[N@@H+](C)C[C@@H]3CC[NH+](C)[C@H]3c3cccnc3)ccc21 ZINC000434025745 457934278 /nfs/dbraw/zinc/93/42/78/457934278.db2.gz PHHCWLTXFHQOOW-RXVVDRJESA-N 2 2 349.482 3.093 20 0 EGADLP Cn1cnc2cc(C[NH+](C)C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)ccc21 ZINC000434025745 457934281 /nfs/dbraw/zinc/93/42/81/457934281.db2.gz PHHCWLTXFHQOOW-RXVVDRJESA-N 2 2 349.482 3.093 20 0 EGADLP Cn1cnc2cc(C[NH+](C)C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)ccc21 ZINC000434025745 457934284 /nfs/dbraw/zinc/93/42/84/457934284.db2.gz PHHCWLTXFHQOOW-RXVVDRJESA-N 2 2 349.482 3.093 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891790 457935142 /nfs/dbraw/zinc/93/51/42/457935142.db2.gz YNGFMNDUXQFKQD-WDSOQIARSA-N 2 2 328.456 3.122 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891790 457935146 /nfs/dbraw/zinc/93/51/46/457935146.db2.gz YNGFMNDUXQFKQD-WDSOQIARSA-N 2 2 328.456 3.122 20 0 EGADLP C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640166 457937152 /nfs/dbraw/zinc/93/71/52/457937152.db2.gz VEZYYIFRNMMYLS-GAJHUEQPSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444677901 457938237 /nfs/dbraw/zinc/93/82/37/457938237.db2.gz WYLNPOKBZUBUSH-IAGOWNOFSA-N 2 2 339.487 3.010 20 0 EGADLP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444677901 457938242 /nfs/dbraw/zinc/93/82/42/457938242.db2.gz WYLNPOKBZUBUSH-IAGOWNOFSA-N 2 2 339.487 3.010 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@]1=O ZINC000411642681 457938566 /nfs/dbraw/zinc/93/85/66/457938566.db2.gz ZDKNMRJSUWEYDR-UZUQRXQVSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@]1=O ZINC000411642681 457938569 /nfs/dbraw/zinc/93/85/69/457938569.db2.gz ZDKNMRJSUWEYDR-UZUQRXQVSA-N 2 2 334.529 3.015 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC000358342741 457947395 /nfs/dbraw/zinc/94/73/95/457947395.db2.gz QUDNZLOUWJMYNW-TWOQFEAHSA-N 2 2 326.488 3.042 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC000358342741 457947399 /nfs/dbraw/zinc/94/73/99/457947399.db2.gz QUDNZLOUWJMYNW-TWOQFEAHSA-N 2 2 326.488 3.042 20 0 EGADLP C[N@H+](CC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000358370357 457959891 /nfs/dbraw/zinc/95/98/91/457959891.db2.gz PELSZBLHMSTORT-SFHVURJKSA-N 2 2 343.515 3.426 20 0 EGADLP C[N@@H+](CC(=O)N(c1ccccc1)C1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000358370357 457959896 /nfs/dbraw/zinc/95/98/96/457959896.db2.gz PELSZBLHMSTORT-SFHVURJKSA-N 2 2 343.515 3.426 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(OC)c(OC)c1 ZINC000361968026 457984832 /nfs/dbraw/zinc/98/48/32/457984832.db2.gz YIOAKNXWLMNWRX-QAPCUYQASA-N 2 2 338.517 3.182 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358453523 458013298 /nfs/dbraw/zinc/01/32/98/458013298.db2.gz QJQOVRRCBXCUAE-ZDUSSCGKSA-N 2 2 338.377 3.307 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035759 458069345 /nfs/dbraw/zinc/06/93/45/458069345.db2.gz QCVUKLPOPLMUGB-HOCLYGCPSA-N 2 2 331.847 3.487 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000428035759 458069350 /nfs/dbraw/zinc/06/93/50/458069350.db2.gz QCVUKLPOPLMUGB-HOCLYGCPSA-N 2 2 331.847 3.487 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428043827 458071471 /nfs/dbraw/zinc/07/14/71/458071471.db2.gz ZMINICPXLFBTJJ-AZUAARDMSA-N 2 2 335.451 3.123 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428043827 458071476 /nfs/dbraw/zinc/07/14/76/458071476.db2.gz ZMINICPXLFBTJJ-AZUAARDMSA-N 2 2 335.451 3.123 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)CCC2 ZINC000375840769 458090562 /nfs/dbraw/zinc/09/05/62/458090562.db2.gz PYMHQXJJCOBPPE-CVEARBPZSA-N 2 2 336.443 3.000 20 0 EGADLP Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000371866403 458101800 /nfs/dbraw/zinc/10/18/00/458101800.db2.gz JMPZGVLXPMZASI-IBGZPJMESA-N 2 2 334.423 3.149 20 0 EGADLP Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000371866403 458101805 /nfs/dbraw/zinc/10/18/05/458101805.db2.gz JMPZGVLXPMZASI-IBGZPJMESA-N 2 2 334.423 3.149 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383768 458130133 /nfs/dbraw/zinc/13/01/33/458130133.db2.gz JTTIKIHFIUEEGF-GXTWGEPZSA-N 2 2 346.393 3.338 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383768 458130136 /nfs/dbraw/zinc/13/01/36/458130136.db2.gz JTTIKIHFIUEEGF-GXTWGEPZSA-N 2 2 346.393 3.338 20 0 EGADLP COCc1cccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435438802 458147723 /nfs/dbraw/zinc/14/77/23/458147723.db2.gz RMMOTYZRJHXSCR-SFHVURJKSA-N 2 2 345.512 3.210 20 0 EGADLP COCc1cccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435438802 458147728 /nfs/dbraw/zinc/14/77/28/458147728.db2.gz RMMOTYZRJHXSCR-SFHVURJKSA-N 2 2 345.512 3.210 20 0 EGADLP CCc1cc(N(C)CCC[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000358690868 458153439 /nfs/dbraw/zinc/15/34/39/458153439.db2.gz XEAUVSNAUYMEQA-UHFFFAOYSA-N 2 2 325.460 3.023 20 0 EGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000435537800 458159595 /nfs/dbraw/zinc/15/95/95/458159595.db2.gz QZGKJVQMTJCOFC-LOWRVKSDSA-N 2 2 329.419 3.302 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccccc1OC ZINC000435537703 458159938 /nfs/dbraw/zinc/15/99/38/458159938.db2.gz XYKRLXNSHFFEMS-QOKNQOGYSA-N 2 2 329.444 3.390 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358729463 458175106 /nfs/dbraw/zinc/17/51/06/458175106.db2.gz YGHBFTUVMCZXCY-DNVCBOLYSA-N 3 2 335.923 3.234 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358729463 458175112 /nfs/dbraw/zinc/17/51/12/458175112.db2.gz YGHBFTUVMCZXCY-DNVCBOLYSA-N 3 2 335.923 3.234 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1cccc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435738067 458193362 /nfs/dbraw/zinc/19/33/62/458193362.db2.gz OIXUEWOOTRGSIL-QGZVFWFLSA-N 2 2 345.512 3.250 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1cccc(C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435738067 458193369 /nfs/dbraw/zinc/19/33/69/458193369.db2.gz OIXUEWOOTRGSIL-QGZVFWFLSA-N 2 2 345.512 3.250 20 0 EGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000428986132 458247787 /nfs/dbraw/zinc/24/77/87/458247787.db2.gz MSXJGDGBJLZGRS-GOSISDBHSA-N 2 2 342.487 3.455 20 0 EGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000428986132 458247796 /nfs/dbraw/zinc/24/77/96/458247796.db2.gz MSXJGDGBJLZGRS-GOSISDBHSA-N 2 2 342.487 3.455 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000428986132 458247804 /nfs/dbraw/zinc/24/78/04/458247804.db2.gz MSXJGDGBJLZGRS-GOSISDBHSA-N 2 2 342.487 3.455 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000428986132 458247811 /nfs/dbraw/zinc/24/78/11/458247811.db2.gz MSXJGDGBJLZGRS-GOSISDBHSA-N 2 2 342.487 3.455 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000446978264 458252700 /nfs/dbraw/zinc/25/27/00/458252700.db2.gz WENDRTVHNURSJC-CRAIPNDOSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000446978264 458252703 /nfs/dbraw/zinc/25/27/03/458252703.db2.gz WENDRTVHNURSJC-CRAIPNDOSA-N 2 2 345.487 3.019 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000376342412 458272779 /nfs/dbraw/zinc/27/27/79/458272779.db2.gz XOPZLPWHRMTXDA-INIZCTEOSA-N 2 2 342.405 3.299 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000376342412 458272783 /nfs/dbraw/zinc/27/27/83/458272783.db2.gz XOPZLPWHRMTXDA-INIZCTEOSA-N 2 2 342.405 3.299 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000436293141 458283614 /nfs/dbraw/zinc/28/36/14/458283614.db2.gz ODLPCVWUPLMLPN-FQEVSTJZSA-N 3 2 342.531 3.437 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000436293141 458283618 /nfs/dbraw/zinc/28/36/18/458283618.db2.gz ODLPCVWUPLMLPN-FQEVSTJZSA-N 3 2 342.531 3.437 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000436293143 458284713 /nfs/dbraw/zinc/28/47/13/458284713.db2.gz ODLPCVWUPLMLPN-HXUWFJFHSA-N 3 2 342.531 3.437 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000436293143 458284715 /nfs/dbraw/zinc/28/47/15/458284715.db2.gz ODLPCVWUPLMLPN-HXUWFJFHSA-N 3 2 342.531 3.437 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)o1 ZINC000447545529 458309448 /nfs/dbraw/zinc/30/94/48/458309448.db2.gz XKLFAWAFROZEGB-SCWSEQNSSA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)o1 ZINC000447545529 458309451 /nfs/dbraw/zinc/30/94/51/458309451.db2.gz XKLFAWAFROZEGB-SCWSEQNSSA-N 2 2 342.483 3.430 20 0 EGADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000447597690 458319583 /nfs/dbraw/zinc/31/95/83/458319583.db2.gz GAIYDLFOCRUCHV-IERDGZPVSA-N 2 2 343.515 3.033 20 0 EGADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000447597690 458319588 /nfs/dbraw/zinc/31/95/88/458319588.db2.gz GAIYDLFOCRUCHV-IERDGZPVSA-N 2 2 343.515 3.033 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459362747 458345330 /nfs/dbraw/zinc/34/53/30/458345330.db2.gz GYHDLCCOAPIUHV-BZZMCLGOSA-N 2 2 331.485 3.200 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000459376102 458350243 /nfs/dbraw/zinc/35/02/43/458350243.db2.gz ZUIMXEQWVANFJQ-YJBOKZPZSA-N 2 2 349.438 3.129 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000459376102 458350247 /nfs/dbraw/zinc/35/02/47/458350247.db2.gz ZUIMXEQWVANFJQ-YJBOKZPZSA-N 2 2 349.438 3.129 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(C4CC4)cc3)[nH+]c2)C1 ZINC000459445273 458373580 /nfs/dbraw/zinc/37/35/80/458373580.db2.gz GQRHDTVEBIYHML-FQEVSTJZSA-N 2 2 336.483 3.133 20 0 EGADLP CCc1cccc(CC)c1NC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000376728471 458376774 /nfs/dbraw/zinc/37/67/74/458376774.db2.gz KOKCEVRBXXTXHN-UHFFFAOYSA-N 2 2 325.460 3.481 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448025562 458381934 /nfs/dbraw/zinc/38/19/34/458381934.db2.gz DUHKASSIBONIOJ-SJLPKXTDSA-N 2 2 331.504 3.138 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448025562 458381937 /nfs/dbraw/zinc/38/19/37/458381937.db2.gz DUHKASSIBONIOJ-SJLPKXTDSA-N 2 2 331.504 3.138 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000376757316 458385795 /nfs/dbraw/zinc/38/57/95/458385795.db2.gz HQXCTCSUYAAMPS-MRXNPFEDSA-N 2 2 342.405 3.387 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000373230024 458437570 /nfs/dbraw/zinc/43/75/70/458437570.db2.gz PPPWXFAFEBEACL-QGZVFWFLSA-N 2 2 335.455 3.200 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000373230024 458437573 /nfs/dbraw/zinc/43/75/73/458437573.db2.gz PPPWXFAFEBEACL-QGZVFWFLSA-N 2 2 335.455 3.200 20 0 EGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498430 458443156 /nfs/dbraw/zinc/44/31/56/458443156.db2.gz AZFCKCPABMJBPH-OKZBNKHCSA-N 2 2 326.415 3.167 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496808 458443849 /nfs/dbraw/zinc/44/38/49/458443849.db2.gz XRWYDDCDXDQOGF-WBVHZDCISA-N 2 2 340.895 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(F)cn1 ZINC000423524358 458451436 /nfs/dbraw/zinc/45/14/36/458451436.db2.gz JFADFTTXJUFSTB-SYTRPRECSA-N 2 2 333.451 3.034 20 0 EGADLP CCOC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698503 458451779 /nfs/dbraw/zinc/45/17/79/458451779.db2.gz CEOCZUNWPXLSRY-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698503 458451782 /nfs/dbraw/zinc/45/17/82/458451782.db2.gz CEOCZUNWPXLSRY-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000459698503 458451785 /nfs/dbraw/zinc/45/17/85/458451785.db2.gz CEOCZUNWPXLSRY-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000459698503 458451788 /nfs/dbraw/zinc/45/17/88/458451788.db2.gz CEOCZUNWPXLSRY-NHCUHLMSSA-N 2 2 346.515 3.169 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc2ccccc2c1OC(F)F ZINC000423529784 458452661 /nfs/dbraw/zinc/45/26/61/458452661.db2.gz VVIQVOQJYMSOTR-OCCSQVGLSA-N 2 2 336.382 3.080 20 0 EGADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423533794 458453811 /nfs/dbraw/zinc/45/38/11/458453811.db2.gz YPFVSKFSCZCNHV-CQSZACIVSA-N 2 2 327.241 3.307 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)c1OC ZINC000430558995 458461284 /nfs/dbraw/zinc/46/12/84/458461284.db2.gz WMHSCTAETQUQAP-SFHVURJKSA-N 2 2 349.500 3.290 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H]1C[NH3+] ZINC000430565098 458462515 /nfs/dbraw/zinc/46/25/15/458462515.db2.gz DTLPWRUKOXPRLI-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H]1C[NH3+] ZINC000430565098 458462520 /nfs/dbraw/zinc/46/25/20/458462520.db2.gz DTLPWRUKOXPRLI-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000430571380 458463234 /nfs/dbraw/zinc/46/32/34/458463234.db2.gz CQMRGJDIGZMSMQ-YOEHRIQHSA-N 2 2 339.911 3.165 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000430571380 458463240 /nfs/dbraw/zinc/46/32/40/458463240.db2.gz CQMRGJDIGZMSMQ-YOEHRIQHSA-N 2 2 339.911 3.165 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574837 458463481 /nfs/dbraw/zinc/46/34/81/458463481.db2.gz TUPOBPDAJRCZSO-AESZEHBQSA-N 2 2 343.471 3.058 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574837 458463485 /nfs/dbraw/zinc/46/34/85/458463485.db2.gz TUPOBPDAJRCZSO-AESZEHBQSA-N 2 2 343.471 3.058 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000430575947 458464765 /nfs/dbraw/zinc/46/47/65/458464765.db2.gz LWHXCOCPBMRTGA-BDJLRTHQSA-N 2 2 346.302 3.134 20 0 EGADLP C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000430603528 458470928 /nfs/dbraw/zinc/47/09/28/458470928.db2.gz NWNIHXXWSLENNI-GOSISDBHSA-N 2 2 349.494 3.103 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000430603528 458470930 /nfs/dbraw/zinc/47/09/30/458470930.db2.gz NWNIHXXWSLENNI-GOSISDBHSA-N 2 2 349.494 3.103 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621688 458473593 /nfs/dbraw/zinc/47/35/93/458473593.db2.gz DWDHRSDGWPIJBX-UTKZUKDTSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621688 458473595 /nfs/dbraw/zinc/47/35/95/458473595.db2.gz DWDHRSDGWPIJBX-UTKZUKDTSA-N 2 2 345.531 3.294 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640334 458474172 /nfs/dbraw/zinc/47/41/72/458474172.db2.gz HDHHJROARXBUIM-FXAWDEMLSA-N 2 2 337.467 3.298 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640334 458474174 /nfs/dbraw/zinc/47/41/74/458474174.db2.gz HDHHJROARXBUIM-FXAWDEMLSA-N 2 2 337.467 3.298 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392566 458480206 /nfs/dbraw/zinc/48/02/06/458480206.db2.gz JLQMXDSAMPRIGO-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392566 458480209 /nfs/dbraw/zinc/48/02/09/458480209.db2.gz JLQMXDSAMPRIGO-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392566 458480211 /nfs/dbraw/zinc/48/02/11/458480211.db2.gz JLQMXDSAMPRIGO-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392566 458480212 /nfs/dbraw/zinc/48/02/12/458480212.db2.gz JLQMXDSAMPRIGO-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000431014788 458517263 /nfs/dbraw/zinc/51/72/63/458517263.db2.gz PFGPVOHSDCZBGN-UHFFFAOYSA-N 2 2 338.430 3.425 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000431014788 458517268 /nfs/dbraw/zinc/51/72/68/458517268.db2.gz PFGPVOHSDCZBGN-UHFFFAOYSA-N 2 2 338.430 3.425 20 0 EGADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc(Cl)c1Cl ZINC000431031169 458518288 /nfs/dbraw/zinc/51/82/88/458518288.db2.gz VXUYVTGSQFCUIC-UHFFFAOYSA-N 2 2 342.270 3.007 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431162705 458537524 /nfs/dbraw/zinc/53/75/24/458537524.db2.gz USEBYRFJWXXVKP-VQIMIIECSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431162705 458537529 /nfs/dbraw/zinc/53/75/29/458537529.db2.gz USEBYRFJWXXVKP-VQIMIIECSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377890069 458565980 /nfs/dbraw/zinc/56/59/80/458565980.db2.gz RSPVJUFXFCKUHF-QGZVFWFLSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377890069 458565983 /nfs/dbraw/zinc/56/59/83/458565983.db2.gz RSPVJUFXFCKUHF-QGZVFWFLSA-N 2 2 335.455 3.212 20 0 EGADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[N@H+](CC)CCO ZINC000469774204 458590427 /nfs/dbraw/zinc/59/04/27/458590427.db2.gz DJNRBBLVVKCSKH-OAHLLOKOSA-N 2 2 333.303 3.218 20 0 EGADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC[N@@H+](CC)CCO ZINC000469774204 458590430 /nfs/dbraw/zinc/59/04/30/458590430.db2.gz DJNRBBLVVKCSKH-OAHLLOKOSA-N 2 2 333.303 3.218 20 0 EGADLP C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424279025 458603118 /nfs/dbraw/zinc/60/31/18/458603118.db2.gz FCROIDRRUHPHKY-CQSZACIVSA-N 2 2 333.476 3.335 20 0 EGADLP C[N@H+](Cc1nc2c(s1)CCCC2)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424279025 458603121 /nfs/dbraw/zinc/60/31/21/458603121.db2.gz FCROIDRRUHPHKY-CQSZACIVSA-N 2 2 333.476 3.335 20 0 EGADLP [NH3+]C[C@H](C[N@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(F)cc1 ZINC000424304298 458610613 /nfs/dbraw/zinc/61/06/13/458610613.db2.gz QSKROOJRIITAKL-GOSISDBHSA-N 2 2 338.430 3.294 20 0 EGADLP [NH3+]C[C@H](C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(F)cc1 ZINC000424304298 458610617 /nfs/dbraw/zinc/61/06/17/458610617.db2.gz QSKROOJRIITAKL-GOSISDBHSA-N 2 2 338.430 3.294 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])nnn1-c1cccc(Cl)c1 ZINC000424378565 458629520 /nfs/dbraw/zinc/62/95/20/458629520.db2.gz TWMLMGAZOJBKBX-IUIKQTSFSA-N 2 2 333.867 3.150 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000439078591 458650422 /nfs/dbraw/zinc/65/04/22/458650422.db2.gz MEOSHUSRRRLGQK-AWEZNQCLSA-N 2 2 345.487 3.179 20 0 EGADLP Clc1ccc(Br)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494394297 458668611 /nfs/dbraw/zinc/66/86/11/458668611.db2.gz UYIIKVWZRQVCTQ-LBPRGKRZSA-N 2 2 340.652 3.404 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000494399775 458670066 /nfs/dbraw/zinc/67/00/66/458670066.db2.gz OVJDASALVJRQAD-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000494399775 458670072 /nfs/dbraw/zinc/67/00/72/458670072.db2.gz OVJDASALVJRQAD-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432117462 458684003 /nfs/dbraw/zinc/68/40/03/458684003.db2.gz TVFMJHCOAMIFPX-CYBMUJFWSA-N 2 2 339.468 3.214 20 0 EGADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432117462 458684008 /nfs/dbraw/zinc/68/40/08/458684008.db2.gz TVFMJHCOAMIFPX-CYBMUJFWSA-N 2 2 339.468 3.214 20 0 EGADLP Cc1[nH+]cc(CNc2ccc3c(c2)OCC[NH2+]C3)n1-c1ccccc1 ZINC000530182950 458711453 /nfs/dbraw/zinc/71/14/53/458711453.db2.gz FVFRFGNYJMTGLR-UHFFFAOYSA-N 2 2 334.423 3.275 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC(F)F ZINC000530218894 458721372 /nfs/dbraw/zinc/72/13/72/458721372.db2.gz JXVDKJNBODLRKL-IAQYHMDHSA-N 2 2 326.387 3.232 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC000432408390 458734253 /nfs/dbraw/zinc/73/42/53/458734253.db2.gz BNXOAAXWZMBHST-CABCVRRESA-N 2 2 325.522 3.418 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC000432408390 458734249 /nfs/dbraw/zinc/73/42/49/458734249.db2.gz BNXOAAXWZMBHST-CABCVRRESA-N 2 2 325.522 3.418 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)CCC2 ZINC000547704638 458776001 /nfs/dbraw/zinc/77/60/01/458776001.db2.gz ZZZQBYSUIHYFSS-CYBMUJFWSA-N 2 2 327.457 3.310 20 0 EGADLP C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000432792360 458788105 /nfs/dbraw/zinc/78/81/05/458788105.db2.gz KJIRVLAETRKLBO-UHFFFAOYSA-N 2 2 327.457 3.099 20 0 EGADLP C[N@H+](Cc1cn2c(n1)CCCC2)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000432792360 458788107 /nfs/dbraw/zinc/78/81/07/458788107.db2.gz KJIRVLAETRKLBO-UHFFFAOYSA-N 2 2 327.457 3.099 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000495047304 458788417 /nfs/dbraw/zinc/78/84/17/458788417.db2.gz HKCNSRHQOIATNU-LEWJYISDSA-N 2 2 344.474 3.402 20 0 EGADLP Cc1cc(C)c(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c[nH+]1 ZINC000456844607 458797725 /nfs/dbraw/zinc/79/77/25/458797725.db2.gz QZQNYMLSFBVGEE-UHFFFAOYSA-N 2 2 337.423 3.436 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC000456855252 458801394 /nfs/dbraw/zinc/80/13/94/458801394.db2.gz ZMPOKVGPHJMSOB-FQEVSTJZSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC000456855252 458801399 /nfs/dbraw/zinc/80/13/99/458801399.db2.gz ZMPOKVGPHJMSOB-FQEVSTJZSA-N 2 2 337.467 3.369 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C[N@H+](Cc2ccccc2)C1 ZINC000433040898 458831742 /nfs/dbraw/zinc/83/17/42/458831742.db2.gz SLGQVJYVDBAKMT-AHRSYUTCSA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000433040898 458831748 /nfs/dbraw/zinc/83/17/48/458831748.db2.gz SLGQVJYVDBAKMT-AHRSYUTCSA-N 2 2 336.479 3.360 20 0 EGADLP C[C@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000495433705 458855744 /nfs/dbraw/zinc/85/57/44/458855744.db2.gz IWMMGGBJPWYAAA-GJZGRUSLSA-N 2 2 336.480 3.069 20 0 EGADLP C[C@H]1CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000495433705 458855751 /nfs/dbraw/zinc/85/57/51/458855751.db2.gz IWMMGGBJPWYAAA-GJZGRUSLSA-N 2 2 336.480 3.069 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]3Cc3ccccc3)c2cc1C ZINC000530994529 458856298 /nfs/dbraw/zinc/85/62/98/458856298.db2.gz DIELVUIOHPLDIQ-WOJBJXKFSA-N 2 2 349.478 3.331 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]3Cc3ccccc3)c2cc1C ZINC000530994529 458856302 /nfs/dbraw/zinc/85/63/02/458856302.db2.gz DIELVUIOHPLDIQ-WOJBJXKFSA-N 2 2 349.478 3.331 20 0 EGADLP CC(C)[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273464 458873934 /nfs/dbraw/zinc/87/39/34/458873934.db2.gz LTIXAJVDXZVARZ-CTNGQTDRSA-N 2 2 330.516 3.470 20 0 EGADLP CC(C)[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273464 458873939 /nfs/dbraw/zinc/87/39/39/458873939.db2.gz LTIXAJVDXZVARZ-CTNGQTDRSA-N 2 2 330.516 3.470 20 0 EGADLP CCOC(=O)[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123403 458891686 /nfs/dbraw/zinc/89/16/86/458891686.db2.gz JPLXYDQRQJRZRO-HKUYNNGSSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123403 458891690 /nfs/dbraw/zinc/89/16/90/458891690.db2.gz JPLXYDQRQJRZRO-HKUYNNGSSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000441123403 458891697 /nfs/dbraw/zinc/89/16/97/458891697.db2.gz JPLXYDQRQJRZRO-HKUYNNGSSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000441123403 458891701 /nfs/dbraw/zinc/89/17/01/458891701.db2.gz JPLXYDQRQJRZRO-HKUYNNGSSA-N 2 2 330.472 3.023 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@H]1C ZINC000474722248 458899365 /nfs/dbraw/zinc/89/93/65/458899365.db2.gz YZVWBRMHLZOGQF-ZRSLWSEBSA-N 2 2 344.499 3.389 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@H]1C ZINC000474722248 458899369 /nfs/dbraw/zinc/89/93/69/458899369.db2.gz YZVWBRMHLZOGQF-ZRSLWSEBSA-N 2 2 344.499 3.389 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441328118 458919301 /nfs/dbraw/zinc/91/93/01/458919301.db2.gz VNWHTASNOMINHH-PKOBYXMFSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441328118 458919306 /nfs/dbraw/zinc/91/93/06/458919306.db2.gz VNWHTASNOMINHH-PKOBYXMFSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441328118 458919309 /nfs/dbraw/zinc/91/93/09/458919309.db2.gz VNWHTASNOMINHH-PKOBYXMFSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441328118 458919312 /nfs/dbraw/zinc/91/93/12/458919312.db2.gz VNWHTASNOMINHH-PKOBYXMFSA-N 2 2 335.536 3.188 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346059 458925374 /nfs/dbraw/zinc/92/53/74/458925374.db2.gz IQBSMCLDKUSZBK-IEBWSBKVSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346059 458925377 /nfs/dbraw/zinc/92/53/77/458925377.db2.gz IQBSMCLDKUSZBK-IEBWSBKVSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346059 458925396 /nfs/dbraw/zinc/92/53/96/458925396.db2.gz IQBSMCLDKUSZBK-IEBWSBKVSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346059 458925401 /nfs/dbraw/zinc/92/54/01/458925401.db2.gz IQBSMCLDKUSZBK-IEBWSBKVSA-N 2 2 347.478 3.127 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823798 458926811 /nfs/dbraw/zinc/92/68/11/458926811.db2.gz RMELRFFHXBPYNE-HZQHCPKGSA-N 2 2 342.531 3.272 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823798 458926817 /nfs/dbraw/zinc/92/68/17/458926817.db2.gz RMELRFFHXBPYNE-HZQHCPKGSA-N 2 2 342.531 3.272 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000556118997 458929693 /nfs/dbraw/zinc/92/96/93/458929693.db2.gz XEORUMGQYKCMSB-YZGWKJHDSA-N 2 2 340.467 3.154 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000556118997 458929695 /nfs/dbraw/zinc/92/96/95/458929695.db2.gz XEORUMGQYKCMSB-YZGWKJHDSA-N 2 2 340.467 3.154 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466905644 458931044 /nfs/dbraw/zinc/93/10/44/458931044.db2.gz HHLWEIMJONQWHK-STZQEDGTSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466905644 458931051 /nfs/dbraw/zinc/93/10/51/458931051.db2.gz HHLWEIMJONQWHK-STZQEDGTSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000466918171 458934966 /nfs/dbraw/zinc/93/49/66/458934966.db2.gz WCUFJJZVUQIAHV-BWAGFHJFSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000466918171 458934976 /nfs/dbraw/zinc/93/49/76/458934976.db2.gz WCUFJJZVUQIAHV-BWAGFHJFSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)n2c1 ZINC000495739057 458937681 /nfs/dbraw/zinc/93/76/81/458937681.db2.gz XVJVCORNBGAEGU-CQSZACIVSA-N 2 2 332.448 3.036 20 0 EGADLP FC(F)(F)Cn1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000566555717 458958846 /nfs/dbraw/zinc/95/88/46/458958846.db2.gz SIFGHWZMJQWTRL-JKSUJKDBSA-N 2 2 338.377 3.028 20 0 EGADLP CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000475697249 458959240 /nfs/dbraw/zinc/95/92/40/458959240.db2.gz STWWEBLJZJLBMZ-MRXNPFEDSA-N 2 2 336.907 3.447 20 0 EGADLP CCc1cccc(Cl)c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000475697249 458959248 /nfs/dbraw/zinc/95/92/48/458959248.db2.gz STWWEBLJZJLBMZ-MRXNPFEDSA-N 2 2 336.907 3.447 20 0 EGADLP C[C@H](C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000566615397 458970092 /nfs/dbraw/zinc/97/00/92/458970092.db2.gz JCBZPIZDDBYFMX-DBXWQHBBSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000566615397 458970097 /nfs/dbraw/zinc/97/00/97/458970097.db2.gz JCBZPIZDDBYFMX-DBXWQHBBSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000495849881 458976383 /nfs/dbraw/zinc/97/63/83/458976383.db2.gz LOWAQYSHWXMPQR-NVXWUHKLSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000495849881 458976389 /nfs/dbraw/zinc/97/63/89/458976389.db2.gz LOWAQYSHWXMPQR-NVXWUHKLSA-N 2 2 339.524 3.286 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563058 459007036 /nfs/dbraw/zinc/00/70/36/459007036.db2.gz QNOUXZPFLDNUEZ-LJQANCHMSA-N 2 2 337.552 3.127 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563058 459007039 /nfs/dbraw/zinc/00/70/39/459007039.db2.gz QNOUXZPFLDNUEZ-LJQANCHMSA-N 2 2 337.552 3.127 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563058 459007044 /nfs/dbraw/zinc/00/70/44/459007044.db2.gz QNOUXZPFLDNUEZ-LJQANCHMSA-N 2 2 337.552 3.127 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563058 459007048 /nfs/dbraw/zinc/00/70/48/459007048.db2.gz QNOUXZPFLDNUEZ-LJQANCHMSA-N 2 2 337.552 3.127 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442750282 459030456 /nfs/dbraw/zinc/03/04/56/459030456.db2.gz AQMNXGQESNRDQY-ZIAGYGMSSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442750282 459030459 /nfs/dbraw/zinc/03/04/59/459030459.db2.gz AQMNXGQESNRDQY-ZIAGYGMSSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442750280 459030550 /nfs/dbraw/zinc/03/05/50/459030550.db2.gz AQMNXGQESNRDQY-UONOGXRCSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442750280 459030551 /nfs/dbraw/zinc/03/05/51/459030551.db2.gz AQMNXGQESNRDQY-UONOGXRCSA-N 2 2 331.485 3.378 20 0 EGADLP CCOC(=O)N1CCC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000495995972 459031633 /nfs/dbraw/zinc/03/16/33/459031633.db2.gz WGVLNBBWNFVALG-IBGZPJMESA-N 2 2 341.455 3.050 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000594522587 459079812 /nfs/dbraw/zinc/07/98/12/459079812.db2.gz ZYXLOWRZOSMREY-INDMIFKZSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000594522587 459079816 /nfs/dbraw/zinc/07/98/16/459079816.db2.gz ZYXLOWRZOSMREY-INDMIFKZSA-N 2 2 336.520 3.495 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c[nH+]c12 ZINC000496132699 459080718 /nfs/dbraw/zinc/08/07/18/459080718.db2.gz GMAOQZOBLZBGNU-UONOGXRCSA-N 2 2 332.448 3.034 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149469 459087613 /nfs/dbraw/zinc/08/76/13/459087613.db2.gz WKKAFSPTFDGQFS-GRDNDAEWSA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149469 459087615 /nfs/dbraw/zinc/08/76/15/459087615.db2.gz WKKAFSPTFDGQFS-GRDNDAEWSA-N 2 2 348.491 3.035 20 0 EGADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1F ZINC000532497639 459100153 /nfs/dbraw/zinc/10/01/53/459100153.db2.gz BWYRNVRCXZQPMC-LAUBAEHRSA-N 2 2 341.474 3.465 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064824 459120223 /nfs/dbraw/zinc/12/02/23/459120223.db2.gz FYNCMTYJNRQAJY-LSTHTHJFSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064824 459120229 /nfs/dbraw/zinc/12/02/29/459120229.db2.gz FYNCMTYJNRQAJY-LSTHTHJFSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CN1C(=O)OC(C)(C)C ZINC000496361767 459165519 /nfs/dbraw/zinc/16/55/19/459165519.db2.gz PFQVBXDBZYXULJ-CABCVRRESA-N 2 2 348.491 3.097 20 0 EGADLP C[N@H+](CCC[NH3+])Cc1csc(-c2cccc(Br)c2)n1 ZINC000567864697 459180433 /nfs/dbraw/zinc/18/04/33/459180433.db2.gz JPBNIJAYQHYXGO-UHFFFAOYSA-N 2 2 340.290 3.353 20 0 EGADLP C[N@@H+](CCC[NH3+])Cc1csc(-c2cccc(Br)c2)n1 ZINC000567864697 459180438 /nfs/dbraw/zinc/18/04/38/459180438.db2.gz JPBNIJAYQHYXGO-UHFFFAOYSA-N 2 2 340.290 3.353 20 0 EGADLP CCn1nc(C)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000521930719 459193762 /nfs/dbraw/zinc/19/37/62/459193762.db2.gz CFGMHOJJAKQLEE-UHFFFAOYSA-N 2 2 332.414 3.026 20 0 EGADLP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994233 459204093 /nfs/dbraw/zinc/20/40/93/459204093.db2.gz HITKVIDEKACMBG-KRWDZBQOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994233 459204100 /nfs/dbraw/zinc/20/41/00/459204100.db2.gz HITKVIDEKACMBG-KRWDZBQOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994233 459204108 /nfs/dbraw/zinc/20/41/08/459204108.db2.gz HITKVIDEKACMBG-KRWDZBQOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994233 459204110 /nfs/dbraw/zinc/20/41/10/459204110.db2.gz HITKVIDEKACMBG-KRWDZBQOSA-N 2 2 345.512 3.414 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310480 459218594 /nfs/dbraw/zinc/21/85/94/459218594.db2.gz QNGDDGRBADGWAU-LRQRDZAKSA-N 2 2 343.515 3.059 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310480 459218597 /nfs/dbraw/zinc/21/85/97/459218597.db2.gz QNGDDGRBADGWAU-LRQRDZAKSA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310480 459218602 /nfs/dbraw/zinc/21/86/02/459218602.db2.gz QNGDDGRBADGWAU-LRQRDZAKSA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310480 459218606 /nfs/dbraw/zinc/21/86/06/459218606.db2.gz QNGDDGRBADGWAU-LRQRDZAKSA-N 2 2 343.515 3.059 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000496572680 459243868 /nfs/dbraw/zinc/24/38/68/459243868.db2.gz QYUKEEMUGFFZPB-SJORKVTESA-N 2 2 345.487 3.381 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273736 459247002 /nfs/dbraw/zinc/24/70/02/459247002.db2.gz ZGAMPSMNVNNVCB-UKRRQHHQSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273736 459247007 /nfs/dbraw/zinc/24/70/07/459247007.db2.gz ZGAMPSMNVNNVCB-UKRRQHHQSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000496679378 459283397 /nfs/dbraw/zinc/28/33/97/459283397.db2.gz RYBDPCFHGCNVBY-CVEARBPZSA-N 2 2 336.480 3.023 20 0 EGADLP C[C@@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000496679378 459283404 /nfs/dbraw/zinc/28/34/04/459283404.db2.gz RYBDPCFHGCNVBY-CVEARBPZSA-N 2 2 336.480 3.023 20 0 EGADLP Cc1cc2[nH]c(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c(C)c1 ZINC000481989974 459284491 /nfs/dbraw/zinc/28/44/91/459284491.db2.gz KCEUFCKNHZTZLQ-SFHVURJKSA-N 2 2 341.499 3.329 20 0 EGADLP Cc1cc2[nH]c(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c(C)c1 ZINC000481989974 459284496 /nfs/dbraw/zinc/28/44/96/459284496.db2.gz KCEUFCKNHZTZLQ-SFHVURJKSA-N 2 2 341.499 3.329 20 0 EGADLP CC[C@H](CC1CCCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482027600 459287147 /nfs/dbraw/zinc/28/71/47/459287147.db2.gz SSTKROKSRUBGJO-GOSISDBHSA-N 2 2 337.552 3.125 20 0 EGADLP C[N@H+](CCc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560156017 459306122 /nfs/dbraw/zinc/30/61/22/459306122.db2.gz SYOZFNAWDAGZKH-QFIPXVFZSA-N 2 2 338.495 3.452 20 0 EGADLP C[N@@H+](CCc1ccccc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560156017 459306126 /nfs/dbraw/zinc/30/61/26/459306126.db2.gz SYOZFNAWDAGZKH-QFIPXVFZSA-N 2 2 338.495 3.452 20 0 EGADLP C[NH+](CCc1ccccc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560156017 459306133 /nfs/dbraw/zinc/30/61/33/459306133.db2.gz SYOZFNAWDAGZKH-QFIPXVFZSA-N 2 2 338.495 3.452 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591083206 459310519 /nfs/dbraw/zinc/31/05/19/459310519.db2.gz QYDDXDKNWBSKGR-KRWDZBQOSA-N 2 2 337.427 3.333 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591083206 459310524 /nfs/dbraw/zinc/31/05/24/459310524.db2.gz QYDDXDKNWBSKGR-KRWDZBQOSA-N 2 2 337.427 3.333 20 0 EGADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000568728922 459334737 /nfs/dbraw/zinc/33/47/37/459334737.db2.gz IUUUSFJODOUXBY-SESVDKBCSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000568728922 459334739 /nfs/dbraw/zinc/33/47/39/459334739.db2.gz IUUUSFJODOUXBY-SESVDKBCSA-N 2 2 330.516 3.210 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554469 459383921 /nfs/dbraw/zinc/38/39/21/459383921.db2.gz NRTXSGXIANPTDE-MJGOQNOKSA-N 2 2 342.483 3.229 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000582554469 459383928 /nfs/dbraw/zinc/38/39/28/459383928.db2.gz NRTXSGXIANPTDE-MJGOQNOKSA-N 2 2 342.483 3.229 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541078426 459426519 /nfs/dbraw/zinc/42/65/19/459426519.db2.gz JTIJPAMYXHQSLT-MRXNPFEDSA-N 2 2 330.394 3.201 20 0 EGADLP CC[C@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C(C)C ZINC000541239852 459436557 /nfs/dbraw/zinc/43/65/57/459436557.db2.gz POVOXGUQXURMKU-INIZCTEOSA-N 2 2 330.476 3.284 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591866923 459458517 /nfs/dbraw/zinc/45/85/17/459458517.db2.gz JTPLZQRYFBTMAP-GOEBONIOSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591866923 459458523 /nfs/dbraw/zinc/45/85/23/459458523.db2.gz JTPLZQRYFBTMAP-GOEBONIOSA-N 2 2 344.484 3.269 20 0 EGADLP CC1(C)CC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000541586377 459470628 /nfs/dbraw/zinc/47/06/28/459470628.db2.gz SCZBBMCIJIQLKZ-MRXNPFEDSA-N 2 2 342.487 3.428 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000497189481 459479010 /nfs/dbraw/zinc/47/90/10/459479010.db2.gz HHFVSGKCSLDWFM-CVEARBPZSA-N 2 2 327.513 3.001 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000497189481 459479012 /nfs/dbraw/zinc/47/90/12/459479012.db2.gz HHFVSGKCSLDWFM-CVEARBPZSA-N 2 2 327.513 3.001 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)CC(C)(C)C3)c2cc1C ZINC000542250093 459538756 /nfs/dbraw/zinc/53/87/56/459538756.db2.gz QDAWDYDEJCRUMK-RHSMWYFYSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)CC(C)(C)C3)c2cc1C ZINC000542250093 459538757 /nfs/dbraw/zinc/53/87/57/459538757.db2.gz QDAWDYDEJCRUMK-RHSMWYFYSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1ccc2c(C)cc(NCc3ccc[nH+]c3N3CCOCC3)[nH+]c2c1 ZINC000497550869 459543294 /nfs/dbraw/zinc/54/32/94/459543294.db2.gz WPYVVAVBTOVMDR-UHFFFAOYSA-N 2 2 348.450 3.117 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583502686 459552105 /nfs/dbraw/zinc/55/21/05/459552105.db2.gz AXFZORXCXFBCLA-HKUYNNGSSA-N 2 2 342.487 3.107 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C[C@H]1C ZINC000592403097 459594981 /nfs/dbraw/zinc/59/49/81/459594981.db2.gz LGWPQBLSKBLBMB-QGPMSJSTSA-N 2 2 343.471 3.143 20 0 EGADLP C[C@@H](C[NH2+]Cc1ncc(Cl)cc1Br)Cn1cc[nH+]c1 ZINC000527650285 459684576 /nfs/dbraw/zinc/68/45/76/459684576.db2.gz XTCXXVHZFJWXBK-JTQLQIEISA-N 2 2 343.656 3.120 20 0 EGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1ccc([C@H]2CCCOC2)cc1 ZINC000543747932 459694377 /nfs/dbraw/zinc/69/43/77/459694377.db2.gz SHPBZJVJYQXANR-KRWDZBQOSA-N 2 2 348.406 3.414 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1I ZINC000596648653 459714000 /nfs/dbraw/zinc/71/40/00/459714000.db2.gz UQXLBXZTBZOECJ-NSHDSACASA-N 2 2 344.240 3.213 20 0 EGADLP Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)s1 ZINC000592895236 459714846 /nfs/dbraw/zinc/71/48/46/459714846.db2.gz NXGGPEBJINRKAA-YJBOKZPZSA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)s1 ZINC000592895236 459714847 /nfs/dbraw/zinc/71/48/47/459714847.db2.gz NXGGPEBJINRKAA-YJBOKZPZSA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000592895236 459714848 /nfs/dbraw/zinc/71/48/48/459714848.db2.gz NXGGPEBJINRKAA-YJBOKZPZSA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000592895236 459714850 /nfs/dbraw/zinc/71/48/50/459714850.db2.gz NXGGPEBJINRKAA-YJBOKZPZSA-N 2 2 347.528 3.246 20 0 EGADLP COc1cccc([C@@H](C[NH2+]Cc2c[nH+]c3ccc(C)cn23)OC)c1 ZINC000527738410 459719614 /nfs/dbraw/zinc/71/96/14/459719614.db2.gz OQGWSLDKZUIZJZ-GOSISDBHSA-N 2 2 325.412 3.129 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000527760450 459727669 /nfs/dbraw/zinc/72/76/69/459727669.db2.gz CHFAXBXWDWAAJG-OXQOHEQNSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@H+]1Cc1ccccc1 ZINC000527760450 459727670 /nfs/dbraw/zinc/72/76/70/459727670.db2.gz CHFAXBXWDWAAJG-OXQOHEQNSA-N 2 2 334.467 3.326 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360882 459752266 /nfs/dbraw/zinc/75/22/66/459752266.db2.gz UXQWWDJWUXSMLZ-KUHUBIRLSA-N 2 2 331.410 3.381 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360882 459752273 /nfs/dbraw/zinc/75/22/73/459752273.db2.gz UXQWWDJWUXSMLZ-KUHUBIRLSA-N 2 2 331.410 3.381 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527846440 459757102 /nfs/dbraw/zinc/75/71/02/459757102.db2.gz LUAYMFUOPPXQLW-SECBINFHSA-N 2 2 333.220 3.472 20 0 EGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)c(Br)cc1F ZINC000527843098 459757428 /nfs/dbraw/zinc/75/74/28/459757428.db2.gz CGJYLUNGISUDLT-VIFPVBQESA-N 2 2 330.176 3.275 20 0 EGADLP CN1CC[NH+](CC2(C)CCN(c3[nH+]ccc4ccccc43)CC2)CC1 ZINC000527962156 459782758 /nfs/dbraw/zinc/78/27/58/459782758.db2.gz NDJYZBZGZQJMDR-UHFFFAOYSA-N 2 2 338.499 3.089 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](C)C(C)(C)C3)c2cc1C ZINC000544782999 459784497 /nfs/dbraw/zinc/78/44/97/459784497.db2.gz ZVZNTJBUJCOLHV-SJORKVTESA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](C)C(C)(C)C3)c2cc1C ZINC000544782999 459784500 /nfs/dbraw/zinc/78/45/00/459784500.db2.gz ZVZNTJBUJCOLHV-SJORKVTESA-N 2 2 329.488 3.382 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3snnc3C)C2)s1 ZINC000566306721 459839375 /nfs/dbraw/zinc/83/93/75/459839375.db2.gz WRXUMCZIGVCPOT-CQSZACIVSA-N 2 2 336.530 3.170 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3snnc3C)C2)s1 ZINC000566306721 459839378 /nfs/dbraw/zinc/83/93/78/459839378.db2.gz WRXUMCZIGVCPOT-CQSZACIVSA-N 2 2 336.530 3.170 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3snnc3C)C2)s1 ZINC000566306721 459839381 /nfs/dbraw/zinc/83/93/81/459839381.db2.gz WRXUMCZIGVCPOT-CQSZACIVSA-N 2 2 336.530 3.170 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3snnc3C)C2)s1 ZINC000566306721 459839384 /nfs/dbraw/zinc/83/93/84/459839384.db2.gz WRXUMCZIGVCPOT-CQSZACIVSA-N 2 2 336.530 3.170 20 0 EGADLP c1cn(-c2ccc(C[NH+]3C[C@@H]4CN(c5ccccc5)C[C@H]4C3)cc2)c[nH+]1 ZINC000585748364 459840348 /nfs/dbraw/zinc/84/03/48/459840348.db2.gz BDGKRJIDUNLUDP-WOJBJXKFSA-N 2 2 344.462 3.441 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412700 459862104 /nfs/dbraw/zinc/86/21/04/459862104.db2.gz JSEYTULBUOXUDL-IEBWSBKVSA-N 2 2 337.467 3.031 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412700 459862109 /nfs/dbraw/zinc/86/21/09/459862109.db2.gz JSEYTULBUOXUDL-IEBWSBKVSA-N 2 2 337.467 3.031 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415215 459862551 /nfs/dbraw/zinc/86/25/51/459862551.db2.gz YMAMOLXMRIACOZ-FQEVSTJZSA-N 3 2 338.499 3.396 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000566415215 459862561 /nfs/dbraw/zinc/86/25/61/459862561.db2.gz YMAMOLXMRIACOZ-FQEVSTJZSA-N 3 2 338.499 3.396 20 0 EGADLP c1ccc2c(c1)C=C(C[NH2+]CC1([NH+]3CCSCC3)CCCC1)CO2 ZINC000588177634 459926421 /nfs/dbraw/zinc/92/64/21/459926421.db2.gz NGGJVOSYHJBFGI-UHFFFAOYSA-N 2 2 344.524 3.414 20 0 EGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690439 459970160 /nfs/dbraw/zinc/97/01/60/459970160.db2.gz YFLBHNCMRNUGND-MJGOQNOKSA-N 2 2 342.483 3.147 20 0 EGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690439 459970166 /nfs/dbraw/zinc/97/01/66/459970166.db2.gz YFLBHNCMRNUGND-MJGOQNOKSA-N 2 2 342.483 3.147 20 0 EGADLP CCOc1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000621725241 460031197 /nfs/dbraw/zinc/03/11/97/460031197.db2.gz HUGVDOBVPPWOOS-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000621725241 460031205 /nfs/dbraw/zinc/03/12/05/460031205.db2.gz HUGVDOBVPPWOOS-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000621725241 460031210 /nfs/dbraw/zinc/03/12/10/460031210.db2.gz HUGVDOBVPPWOOS-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000621725241 460031220 /nfs/dbraw/zinc/03/12/20/460031220.db2.gz HUGVDOBVPPWOOS-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)c2ccccc21 ZINC000621764979 460057071 /nfs/dbraw/zinc/05/70/71/460057071.db2.gz PQUPFKVTKDKZRZ-LJQANCHMSA-N 2 2 348.450 3.273 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625251078 460089779 /nfs/dbraw/zinc/08/97/79/460089779.db2.gz BXYWBGALNOGNFQ-LBPRGKRZSA-N 2 2 326.375 3.092 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625251078 460089785 /nfs/dbraw/zinc/08/97/85/460089785.db2.gz BXYWBGALNOGNFQ-LBPRGKRZSA-N 2 2 326.375 3.092 20 0 EGADLP CCC[N@H+](C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614354783 460111627 /nfs/dbraw/zinc/11/16/27/460111627.db2.gz YQSCKAJJUQJFCP-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP CCC[N@@H+](C)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000614354783 460111634 /nfs/dbraw/zinc/11/16/34/460111634.db2.gz YQSCKAJJUQJFCP-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000599026836 460132256 /nfs/dbraw/zinc/13/22/56/460132256.db2.gz HKQIAPMHTCXRGS-MUYFXNHWSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000599026836 460132261 /nfs/dbraw/zinc/13/22/61/460132261.db2.gz HKQIAPMHTCXRGS-MUYFXNHWSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)CCCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340381 460231283 /nfs/dbraw/zinc/23/12/83/460231283.db2.gz UZGUQKGQCNQYED-MRXNPFEDSA-N 2 2 329.444 3.152 20 0 EGADLP COC(=O)CCCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340381 460231286 /nfs/dbraw/zinc/23/12/86/460231286.db2.gz UZGUQKGQCNQYED-MRXNPFEDSA-N 2 2 329.444 3.152 20 0 EGADLP COC(=O)CCCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000599440603 460253386 /nfs/dbraw/zinc/25/33/86/460253386.db2.gz XKCDRGXDVFSADV-UHFFFAOYSA-N 2 2 329.444 3.161 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C\C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000603713040 460335846 /nfs/dbraw/zinc/33/58/46/460335846.db2.gz BDRNTGNRFIROOV-GGJLBNBESA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C\C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000603713040 460335849 /nfs/dbraw/zinc/33/58/49/460335849.db2.gz BDRNTGNRFIROOV-GGJLBNBESA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[N@H+]1C/C=C\C[NH+]1CCOC[C@@H]1CC(C)C ZINC000603713040 460335854 /nfs/dbraw/zinc/33/58/54/460335854.db2.gz BDRNTGNRFIROOV-GGJLBNBESA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[N@@H+]1C/C=C\C[NH+]1CCOC[C@@H]1CC(C)C ZINC000603713040 460335855 /nfs/dbraw/zinc/33/58/55/460335855.db2.gz BDRNTGNRFIROOV-GGJLBNBESA-N 2 2 338.536 3.036 20 0 EGADLP COc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1Cl ZINC000623089175 460408748 /nfs/dbraw/zinc/40/87/48/460408748.db2.gz YBFNNKZHRBGJGU-UHFFFAOYSA-N 2 2 332.822 3.415 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)C2 ZINC000615872575 460413726 /nfs/dbraw/zinc/41/37/26/460413726.db2.gz FHBZGGCCFBVVCL-IFXJQAMLSA-N 2 2 338.455 3.011 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)CC2 ZINC000615872575 460413730 /nfs/dbraw/zinc/41/37/30/460413730.db2.gz FHBZGGCCFBVVCL-IFXJQAMLSA-N 2 2 338.455 3.011 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000619900650 460466831 /nfs/dbraw/zinc/46/68/31/460466831.db2.gz XLGYDSOIHMNCDC-QGZVFWFLSA-N 2 2 339.439 3.396 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000619900650 460466836 /nfs/dbraw/zinc/46/68/36/460466836.db2.gz XLGYDSOIHMNCDC-QGZVFWFLSA-N 2 2 339.439 3.396 20 0 EGADLP CC1(C)C[NH2+]CC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000634761990 460512947 /nfs/dbraw/zinc/51/29/47/460512947.db2.gz NGVHJUAGYXLNDB-INIZCTEOSA-N 2 2 339.439 3.382 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)n1 ZINC000623853119 460745305 /nfs/dbraw/zinc/74/53/05/460745305.db2.gz NDERSLZVSOWEDL-HNNXBMFYSA-N 2 2 331.485 3.135 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4scnc43)[nH+]c2)C1 ZINC000623943583 460789706 /nfs/dbraw/zinc/78/97/06/460789706.db2.gz BKYYCVYSDQWMAP-GJZGRUSLSA-N 2 2 343.500 3.168 20 0 EGADLP Cc1csc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000623943909 460789767 /nfs/dbraw/zinc/78/97/67/460789767.db2.gz OGJGBGQZTQGSLI-DZGCQCFKSA-N 2 2 331.489 3.160 20 0 EGADLP Cc1cn2ccc(C(=O)N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)cc2[nH+]1 ZINC000635451476 460791452 /nfs/dbraw/zinc/79/14/52/460791452.db2.gz RZNNCZMMECUDSH-NUJGCVRESA-N 2 2 340.471 3.120 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000629548803 460804382 /nfs/dbraw/zinc/80/43/82/460804382.db2.gz YOLPVPHLJIHIJF-XNRPHZJLSA-N 2 2 325.859 3.178 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559030 460806914 /nfs/dbraw/zinc/80/69/14/460806914.db2.gz BZWOSMPIZOGUED-LSDHHAIUSA-N 2 2 329.410 3.473 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559030 460806919 /nfs/dbraw/zinc/80/69/19/460806919.db2.gz BZWOSMPIZOGUED-LSDHHAIUSA-N 2 2 329.410 3.473 20 0 EGADLP Cc1ccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(C[NH+](C)C)c1 ZINC000635565521 460834660 /nfs/dbraw/zinc/83/46/60/460834660.db2.gz CVZCRWAJAYJZKT-SFHVURJKSA-N 2 2 328.460 3.479 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000629700910 460873803 /nfs/dbraw/zinc/87/38/03/460873803.db2.gz PBVUQPXBURDVIZ-QGZVFWFLSA-N 2 2 339.483 3.339 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000629700910 460873807 /nfs/dbraw/zinc/87/38/07/460873807.db2.gz PBVUQPXBURDVIZ-QGZVFWFLSA-N 2 2 339.483 3.339 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624228462 460920995 /nfs/dbraw/zinc/92/09/95/460920995.db2.gz RSDNYUSBHMJWIN-TZMCWYRMSA-N 2 2 348.434 3.058 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624228462 460921000 /nfs/dbraw/zinc/92/10/00/460921000.db2.gz RSDNYUSBHMJWIN-TZMCWYRMSA-N 2 2 348.434 3.058 20 0 EGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624226901 460921167 /nfs/dbraw/zinc/92/11/67/460921167.db2.gz ASDQVHBADZTYLN-QFBILLFUSA-N 2 2 340.467 3.079 20 0 EGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624226901 460921173 /nfs/dbraw/zinc/92/11/73/460921173.db2.gz ASDQVHBADZTYLN-QFBILLFUSA-N 2 2 340.467 3.079 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000635887178 460963105 /nfs/dbraw/zinc/96/31/05/460963105.db2.gz HFBAFJSPEKTWOR-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000635887178 460963111 /nfs/dbraw/zinc/96/31/11/460963111.db2.gz HFBAFJSPEKTWOR-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc(F)c1F ZINC000628184621 461037414 /nfs/dbraw/zinc/03/74/14/461037414.db2.gz SDMLTEZMEHXDGH-HNNXBMFYSA-N 2 2 337.458 3.339 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc(F)c1F ZINC000628184621 461037417 /nfs/dbraw/zinc/03/74/17/461037417.db2.gz SDMLTEZMEHXDGH-HNNXBMFYSA-N 2 2 337.458 3.339 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000636311425 461094853 /nfs/dbraw/zinc/09/48/53/461094853.db2.gz WEMPGXWUWYOVIV-GOSISDBHSA-N 2 2 346.519 3.337 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2[nH+]1 ZINC000668150858 461137705 /nfs/dbraw/zinc/13/77/05/461137705.db2.gz KLNJPTSPGJCXBD-GOSISDBHSA-N 2 2 349.438 3.163 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2[nH+]1 ZINC000668150858 461137713 /nfs/dbraw/zinc/13/77/13/461137713.db2.gz KLNJPTSPGJCXBD-GOSISDBHSA-N 2 2 349.438 3.163 20 0 EGADLP CCc1nc2ccccc2n1C1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000668166759 461151952 /nfs/dbraw/zinc/15/19/52/461151952.db2.gz GRJAJIYHOFAIHN-UHFFFAOYSA-N 2 2 337.471 3.478 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293793 461172684 /nfs/dbraw/zinc/17/26/84/461172684.db2.gz TUTYLJXRRAPCTJ-KRWDZBQOSA-N 2 2 332.492 3.329 20 0 EGADLP FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)CC12CCOCC2 ZINC000668234368 461197037 /nfs/dbraw/zinc/19/70/37/461197037.db2.gz GUXHMPKVUZWMNT-AWEZNQCLSA-N 2 2 343.393 3.010 20 0 EGADLP FC(F)(F)[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC12CCOCC2 ZINC000668234368 461197044 /nfs/dbraw/zinc/19/70/44/461197044.db2.gz GUXHMPKVUZWMNT-AWEZNQCLSA-N 2 2 343.393 3.010 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)ccn12 ZINC000662410462 461234556 /nfs/dbraw/zinc/23/45/56/461234556.db2.gz KCSAEODFEVVBLM-GOSISDBHSA-N 2 2 336.439 3.196 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1OCCCCO ZINC000638116683 461250503 /nfs/dbraw/zinc/25/05/03/461250503.db2.gz FPGXPBAVCCTYPV-IBGZPJMESA-N 2 2 334.504 3.144 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1OCCCCO ZINC000638116683 461250512 /nfs/dbraw/zinc/25/05/12/461250512.db2.gz FPGXPBAVCCTYPV-IBGZPJMESA-N 2 2 334.504 3.144 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1OCCCCO ZINC000638116683 461250518 /nfs/dbraw/zinc/25/05/18/461250518.db2.gz FPGXPBAVCCTYPV-IBGZPJMESA-N 2 2 334.504 3.144 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1OCCCCO ZINC000638116683 461250528 /nfs/dbraw/zinc/25/05/28/461250528.db2.gz FPGXPBAVCCTYPV-IBGZPJMESA-N 2 2 334.504 3.144 20 0 EGADLP FC1(F)CC12CC[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000649773452 461338272 /nfs/dbraw/zinc/33/82/72/461338272.db2.gz SWXPTNZFUMGKOT-UHFFFAOYSA-N 2 2 336.426 3.140 20 0 EGADLP COc1cccc([C@@H](C[NH2+]Cc2ccc(CO)cc2)[NH+]2CCCC2)c1 ZINC000638316543 461362978 /nfs/dbraw/zinc/36/29/78/461362978.db2.gz MIMLRUUCNXPKSA-OAQYLSRUSA-N 2 2 340.467 3.114 20 0 EGADLP Fc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655688257 461363043 /nfs/dbraw/zinc/36/30/43/461363043.db2.gz STKGKFIXASKTIF-RHSMWYFYSA-N 2 2 336.476 3.206 20 0 EGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(F)cc2O1 ZINC000655733162 461400813 /nfs/dbraw/zinc/40/08/13/461400813.db2.gz JQBUYNVOJSINNH-AEFFLSMTSA-N 2 2 348.462 3.271 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]C[C@@]3(C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000638458760 461437845 /nfs/dbraw/zinc/43/78/45/461437845.db2.gz HHMMCKQNSMZTKX-FGZHOGPDSA-N 3 2 341.543 3.328 20 0 EGADLP CCCCc1oc2ccccc2c1CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653061183 461480916 /nfs/dbraw/zinc/48/09/16/461480916.db2.gz DYQYSNAYZYLSLL-KRWDZBQOSA-N 2 2 345.487 3.013 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881837 461481217 /nfs/dbraw/zinc/48/12/17/461481217.db2.gz AXQAXYLBDFNZMT-PBHICJAKSA-N 2 2 342.468 3.023 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881837 461481225 /nfs/dbraw/zinc/48/12/25/461481225.db2.gz AXQAXYLBDFNZMT-PBHICJAKSA-N 2 2 342.468 3.023 20 0 EGADLP CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060680 461481753 /nfs/dbraw/zinc/48/17/53/461481753.db2.gz MQCZIGVWMUTFCU-QGZVFWFLSA-N 2 2 339.911 3.138 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000653062572 461482342 /nfs/dbraw/zinc/48/23/42/461482342.db2.gz CXKINNJKJGTMDS-INIZCTEOSA-N 2 2 347.846 3.350 20 0 EGADLP CC(C)CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653072624 461487553 /nfs/dbraw/zinc/48/75/53/461487553.db2.gz YDRGLLLRPUZIOO-SJORKVTESA-N 2 2 339.911 3.213 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850314 461497527 /nfs/dbraw/zinc/49/75/27/461497527.db2.gz UORZLGVFLDSHCB-ZOCIIQOWSA-N 2 2 327.472 3.239 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850314 461497533 /nfs/dbraw/zinc/49/75/33/461497533.db2.gz UORZLGVFLDSHCB-ZOCIIQOWSA-N 2 2 327.472 3.239 20 0 EGADLP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)c(F)cc1Br ZINC000631055492 461508008 /nfs/dbraw/zinc/50/80/08/461508008.db2.gz AEQIKMRQRRQPNR-SNVBAGLBSA-N 2 2 333.245 3.027 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631063283 461515827 /nfs/dbraw/zinc/51/58/27/461515827.db2.gz AFMRINFIDAODHV-ZDUSSCGKSA-N 2 2 326.282 3.054 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631063283 461515821 /nfs/dbraw/zinc/51/58/21/461515821.db2.gz AFMRINFIDAODHV-ZDUSSCGKSA-N 2 2 326.282 3.054 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CCn2c(C)[nH+]c3ccccc32)o1 ZINC000647168556 461538294 /nfs/dbraw/zinc/53/82/94/461538294.db2.gz AOYWHLBFEAYOHZ-UHFFFAOYSA-N 2 2 349.438 3.436 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660077794 461574145 /nfs/dbraw/zinc/57/41/45/461574145.db2.gz QEFRFZNUKXRFGV-CZUORRHYSA-N 2 2 342.468 3.092 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660077794 461574155 /nfs/dbraw/zinc/57/41/55/461574155.db2.gz QEFRFZNUKXRFGV-CZUORRHYSA-N 2 2 342.468 3.092 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000631137444 461581410 /nfs/dbraw/zinc/58/14/10/461581410.db2.gz BNFIVEJHQKRHSY-IERDGZPVSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000631137444 461581419 /nfs/dbraw/zinc/58/14/19/461581419.db2.gz BNFIVEJHQKRHSY-IERDGZPVSA-N 2 2 337.467 3.398 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H]1CC[NH3+] ZINC000653239966 461585145 /nfs/dbraw/zinc/58/51/45/461585145.db2.gz HXTKPJLNVUVYHK-BEFAXECRSA-N 2 2 339.439 3.463 20 0 EGADLP Cc1cn2c(C[NH2+]CCc3cn4c(cccc4C)[nH+]3)c(C)nc2s1 ZINC000647262876 461599558 /nfs/dbraw/zinc/59/95/58/461599558.db2.gz VXNSPSXQUJPLHU-UHFFFAOYSA-N 2 2 339.468 3.301 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000643064220 461600544 /nfs/dbraw/zinc/60/05/44/461600544.db2.gz XSEYWAURSMTRHW-NVXWUHKLSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000643064220 461600552 /nfs/dbraw/zinc/60/05/52/461600552.db2.gz XSEYWAURSMTRHW-NVXWUHKLSA-N 2 2 326.444 3.009 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000631167379 461605384 /nfs/dbraw/zinc/60/53/84/461605384.db2.gz XFQSTCFDGQLSGG-UHFFFAOYSA-N 2 2 343.402 3.131 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000660197741 461630761 /nfs/dbraw/zinc/63/07/61/461630761.db2.gz OVCTYNDTCSTWRO-TZIWHRDSSA-N 2 2 342.483 3.097 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000660197741 461630765 /nfs/dbraw/zinc/63/07/65/461630765.db2.gz OVCTYNDTCSTWRO-TZIWHRDSSA-N 2 2 342.483 3.097 20 0 EGADLP CC[N@H+](CCC(F)(F)F)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249953 461649029 /nfs/dbraw/zinc/64/90/29/461649029.db2.gz HVDAWJPOJQPKDR-UHFFFAOYSA-N 2 2 330.394 3.293 20 0 EGADLP CC[N@@H+](CCC(F)(F)F)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249953 461649037 /nfs/dbraw/zinc/64/90/37/461649037.db2.gz HVDAWJPOJQPKDR-UHFFFAOYSA-N 2 2 330.394 3.293 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)c(C)c2c1 ZINC000660265375 461674722 /nfs/dbraw/zinc/67/47/22/461674722.db2.gz GRONMJIWCLUZAU-GJZGRUSLSA-N 2 2 334.460 3.102 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c(C)c2c1 ZINC000660265375 461674726 /nfs/dbraw/zinc/67/47/26/461674726.db2.gz GRONMJIWCLUZAU-GJZGRUSLSA-N 2 2 334.460 3.102 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000663509419 461679154 /nfs/dbraw/zinc/67/91/54/461679154.db2.gz KCTDADRDRDCDTJ-CYBMUJFWSA-N 2 2 331.847 3.290 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000656262238 461689541 /nfs/dbraw/zinc/68/95/41/461689541.db2.gz RLCDNSVUXZIDFM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000656262238 461689546 /nfs/dbraw/zinc/68/95/46/461689546.db2.gz RLCDNSVUXZIDFM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000656262238 461689554 /nfs/dbraw/zinc/68/95/54/461689554.db2.gz RLCDNSVUXZIDFM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000656262238 461689560 /nfs/dbraw/zinc/68/95/60/461689560.db2.gz RLCDNSVUXZIDFM-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H]1CCCC[NH2+]1 ZINC000643462255 461735615 /nfs/dbraw/zinc/73/56/15/461735615.db2.gz RBVVEOYJUBZZTL-OXJNMPFZSA-N 2 2 325.456 3.281 20 0 EGADLP COc1ccc([C@H]([NH2+]CC2(CO)CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643466194 461737041 /nfs/dbraw/zinc/73/70/41/461737041.db2.gz CVYPLBKFQUNJBY-MOPGFXCFSA-N 2 2 332.488 3.021 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000656416976 461737537 /nfs/dbraw/zinc/73/75/37/461737537.db2.gz GCYWBMOMKMARRR-UWVGGRQHSA-N 2 2 329.288 3.025 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000639113996 461737941 /nfs/dbraw/zinc/73/79/41/461737941.db2.gz BTTQYEZPJWQCPH-SJLPKXTDSA-N 2 2 340.423 3.239 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000639113996 461737950 /nfs/dbraw/zinc/73/79/50/461737950.db2.gz BTTQYEZPJWQCPH-SJLPKXTDSA-N 2 2 340.423 3.239 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000666657842 461743871 /nfs/dbraw/zinc/74/38/71/461743871.db2.gz YNQJLEJROPFEDQ-UHFFFAOYSA-N 2 2 326.444 3.088 20 0 EGADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)s2)cc1 ZINC000643537839 461756643 /nfs/dbraw/zinc/75/66/43/461756643.db2.gz RVJZRLYGLAHXOI-CQDKDKBSSA-N 2 2 349.475 3.478 20 0 EGADLP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643538573 461758036 /nfs/dbraw/zinc/75/80/36/461758036.db2.gz NRJTWZPTRJGZNW-SLEUVZQESA-N 2 2 345.231 3.329 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)s1 ZINC000643547259 461759619 /nfs/dbraw/zinc/75/96/19/461759619.db2.gz BWIRVOPLLNRENO-UWVGGRQHSA-N 2 2 330.295 3.231 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[NH2+]C2CCCCCC2)o1 ZINC000647546582 461761082 /nfs/dbraw/zinc/76/10/82/461761082.db2.gz QHLZZWIVCOHRKC-UHFFFAOYSA-N 2 2 330.476 3.391 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cn21 ZINC000647553494 461763774 /nfs/dbraw/zinc/76/37/74/461763774.db2.gz BGJAJWBSULHZCE-UYAOXDASSA-N 3 2 334.467 3.268 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(-c2cccnc2)no1 ZINC000656527202 461774357 /nfs/dbraw/zinc/77/43/57/461774357.db2.gz MSODUXYKUCFOBS-KRWDZBQOSA-N 2 2 341.459 3.045 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000639170638 461779042 /nfs/dbraw/zinc/77/90/42/461779042.db2.gz DAJZVXZAVFMQGY-GOSISDBHSA-N 2 2 348.441 3.213 20 0 EGADLP C[NH2+][C@@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc(Cl)c1Cl ZINC000656562168 461786770 /nfs/dbraw/zinc/78/67/70/461786770.db2.gz YMTAVQHVGVPJJU-GFCCVEGCSA-N 2 2 341.242 3.413 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc2)cs1 ZINC000656694387 461845095 /nfs/dbraw/zinc/84/50/95/461845095.db2.gz LCEVGPMXVFXDCJ-KBXCAEBGSA-N 2 2 347.528 3.470 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc2)cs1 ZINC000656694387 461845103 /nfs/dbraw/zinc/84/51/03/461845103.db2.gz LCEVGPMXVFXDCJ-KBXCAEBGSA-N 2 2 347.528 3.470 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000643961275 461846205 /nfs/dbraw/zinc/84/62/05/461846205.db2.gz WDOFAGKEPCSCGS-BMFZPTHFSA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000643961275 461846209 /nfs/dbraw/zinc/84/62/09/461846209.db2.gz WDOFAGKEPCSCGS-BMFZPTHFSA-N 2 2 329.271 3.071 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000666886298 461852468 /nfs/dbraw/zinc/85/24/68/461852468.db2.gz LTUTYAYJYUFUPL-JXFKEZNVSA-N 2 2 347.466 3.164 20 0 EGADLP C[C@@H]([NH3+])C1CC[NH+](Cc2noc(-c3c(F)cccc3Cl)n2)CC1 ZINC000647830757 461852862 /nfs/dbraw/zinc/85/28/62/461852862.db2.gz UXNGTNVARQXHKK-SNVBAGLBSA-N 2 2 338.814 3.088 20 0 EGADLP C[C@H]([NH3+])C1CC[NH+](Cc2noc(-c3c(F)cccc3Cl)n2)CC1 ZINC000647830750 461852995 /nfs/dbraw/zinc/85/29/95/461852995.db2.gz UXNGTNVARQXHKK-JTQLQIEISA-N 2 2 338.814 3.088 20 0 EGADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1[nH+]ccc2[nH]ccc21 ZINC000647867295 461864110 /nfs/dbraw/zinc/86/41/10/461864110.db2.gz FDKLMYBPXMFMQH-INIZCTEOSA-N 2 2 342.468 3.134 20 0 EGADLP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647883419 461870630 /nfs/dbraw/zinc/87/06/30/461870630.db2.gz PITIIVGTJZXGLK-DOMZBBRYSA-N 2 2 339.277 3.204 20 0 EGADLP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647883419 461870637 /nfs/dbraw/zinc/87/06/37/461870637.db2.gz PITIIVGTJZXGLK-DOMZBBRYSA-N 2 2 339.277 3.204 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666943515 461881262 /nfs/dbraw/zinc/88/12/62/461881262.db2.gz QWPDXERSDJQGIK-KBPBESRZSA-N 2 2 345.256 3.028 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654994 461906303 /nfs/dbraw/zinc/90/63/03/461906303.db2.gz JXLQMSBCMFIGPQ-KXBFYZLASA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654994 461906311 /nfs/dbraw/zinc/90/63/11/461906311.db2.gz JXLQMSBCMFIGPQ-KXBFYZLASA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654994 461906317 /nfs/dbraw/zinc/90/63/17/461906317.db2.gz JXLQMSBCMFIGPQ-KXBFYZLASA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654994 461906322 /nfs/dbraw/zinc/90/63/22/461906322.db2.gz JXLQMSBCMFIGPQ-KXBFYZLASA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)C1 ZINC000650717852 461909793 /nfs/dbraw/zinc/90/97/93/461909793.db2.gz OOZYLVYCHUVKNZ-BEFAXECRSA-N 3 2 333.495 3.417 20 0 EGADLP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678448 461920806 /nfs/dbraw/zinc/92/08/06/461920806.db2.gz USUPTZHBTTXNHD-NRFANRHFSA-N 2 2 349.478 3.194 20 0 EGADLP COCC1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000644407095 461949015 /nfs/dbraw/zinc/94/90/15/461949015.db2.gz RGDUWJLZCMZIJW-LJQANCHMSA-N 2 2 346.515 3.072 20 0 EGADLP COCC1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000644407095 461949020 /nfs/dbraw/zinc/94/90/20/461949020.db2.gz RGDUWJLZCMZIJW-LJQANCHMSA-N 2 2 346.515 3.072 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2coc(-c3cccc(OC)c3)n2)CC1 ZINC000639509432 461962404 /nfs/dbraw/zinc/96/24/04/461962404.db2.gz BTBRDXZWSDWIMR-UHFFFAOYSA-N 2 2 329.444 3.266 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2coc(-c3cccc(OC)c3)n2)CC1 ZINC000639509432 461962410 /nfs/dbraw/zinc/96/24/10/461962410.db2.gz BTBRDXZWSDWIMR-UHFFFAOYSA-N 2 2 329.444 3.266 20 0 EGADLP COc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)sn1 ZINC000660857633 461998431 /nfs/dbraw/zinc/99/84/31/461998431.db2.gz UFNXUGALHNMZQX-UHFFFAOYSA-N 2 2 342.468 3.483 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657310190 462034066 /nfs/dbraw/zinc/03/40/66/462034066.db2.gz WZMMWOPXKPVJPT-UHFFFAOYSA-N 2 2 338.499 3.094 20 0 EGADLP FC(F)(F)c1cccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657323108 462045278 /nfs/dbraw/zinc/04/52/78/462045278.db2.gz SBUXVKWIRUVBLE-UHFFFAOYSA-N 2 2 325.334 3.017 20 0 EGADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000667495033 462112963 /nfs/dbraw/zinc/11/29/63/462112963.db2.gz WAGVUDKTFGIPSV-OAQYLSRUSA-N 2 2 344.499 3.305 20 0 EGADLP Clc1ccc(COCC[NH2+]Cc2c[nH+]c3n2CCC3)c(Cl)c1 ZINC000657428515 462116634 /nfs/dbraw/zinc/11/66/34/462116634.db2.gz JXLLXJLGMAOBSC-UHFFFAOYSA-N 2 2 340.254 3.443 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000644900711 462124128 /nfs/dbraw/zinc/12/41/28/462124128.db2.gz CPFVZZUYLLBKDC-UHFFFAOYSA-N 2 2 342.487 3.099 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1C ZINC000667530679 462127253 /nfs/dbraw/zinc/12/72/53/462127253.db2.gz HBCSJOMLTRYSHK-HZPDHXFCSA-N 2 2 340.254 3.125 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)n1C ZINC000667530679 462127259 /nfs/dbraw/zinc/12/72/59/462127259.db2.gz HBCSJOMLTRYSHK-HZPDHXFCSA-N 2 2 340.254 3.125 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1C ZINC000667533203 462131063 /nfs/dbraw/zinc/13/10/63/462131063.db2.gz JTLYEFJZCAQEQA-UHFFFAOYSA-N 2 2 341.434 3.322 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667628428 462181260 /nfs/dbraw/zinc/18/12/60/462181260.db2.gz FFQSKDMPRLLGSE-MRXNPFEDSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667628428 462181267 /nfs/dbraw/zinc/18/12/67/462181267.db2.gz FFQSKDMPRLLGSE-MRXNPFEDSA-N 2 2 329.419 3.397 20 0 EGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000651358901 462193781 /nfs/dbraw/zinc/19/37/81/462193781.db2.gz OMWSLIUHJBBIHI-CQSZACIVSA-N 3 2 332.879 3.346 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664292 462197297 /nfs/dbraw/zinc/19/72/97/462197297.db2.gz HROQQEWNCCTXBY-IUODEOHRSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664292 462197288 /nfs/dbraw/zinc/19/72/88/462197288.db2.gz HROQQEWNCCTXBY-IUODEOHRSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664292 462197294 /nfs/dbraw/zinc/19/72/94/462197294.db2.gz HROQQEWNCCTXBY-IUODEOHRSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Br)c2C)C[C@H]1C ZINC000667664292 462197302 /nfs/dbraw/zinc/19/73/02/462197302.db2.gz HROQQEWNCCTXBY-IUODEOHRSA-N 2 2 340.309 3.457 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000639983068 462203378 /nfs/dbraw/zinc/20/33/78/462203378.db2.gz NZVODZYWICNNMH-QZTJIDSGSA-N 2 2 343.515 3.203 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000645154721 462205699 /nfs/dbraw/zinc/20/56/99/462205699.db2.gz NTRCAWNJSBOBJV-HOTGVXAUSA-N 2 2 349.316 3.380 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000645154721 462205694 /nfs/dbraw/zinc/20/56/94/462205694.db2.gz NTRCAWNJSBOBJV-HOTGVXAUSA-N 2 2 349.316 3.380 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000639986772 462206582 /nfs/dbraw/zinc/20/65/82/462206582.db2.gz RLGILUNZRYVNMG-IBGZPJMESA-N 2 2 341.499 3.280 20 0 EGADLP CC[N@@H+](Cc1cnc(C)n1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667683956 462213253 /nfs/dbraw/zinc/21/32/53/462213253.db2.gz GMWITUJYXOUBEV-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cnc(C)n1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667683956 462213258 /nfs/dbraw/zinc/21/32/58/462213258.db2.gz GMWITUJYXOUBEV-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cnc(C)n1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667683956 462213262 /nfs/dbraw/zinc/21/32/62/462213262.db2.gz GMWITUJYXOUBEV-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cnc(C)n1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667683956 462213266 /nfs/dbraw/zinc/21/32/66/462213266.db2.gz GMWITUJYXOUBEV-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000657741831 462248973 /nfs/dbraw/zinc/24/89/73/462248973.db2.gz JGWBKCGAEDGUPT-INIZCTEOSA-N 2 2 349.906 3.019 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000657741831 462248975 /nfs/dbraw/zinc/24/89/75/462248975.db2.gz JGWBKCGAEDGUPT-INIZCTEOSA-N 2 2 349.906 3.019 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@@H+]1C ZINC000648743657 462257008 /nfs/dbraw/zinc/25/70/08/462257008.db2.gz MEFOQHDLMIPSLR-RHSMWYFYSA-N 2 2 338.455 3.165 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[N@H+]1C ZINC000648743657 462257013 /nfs/dbraw/zinc/25/70/13/462257013.db2.gz MEFOQHDLMIPSLR-RHSMWYFYSA-N 2 2 338.455 3.165 20 0 EGADLP Cc1cc[nH+]cc1Cc1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000664981703 462269732 /nfs/dbraw/zinc/26/97/32/462269732.db2.gz OBRLLGWFAFNDCR-KRWDZBQOSA-N 2 2 349.438 3.138 20 0 EGADLP Cc1cc[nH+]cc1Cc1noc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000664981703 462269737 /nfs/dbraw/zinc/26/97/37/462269737.db2.gz OBRLLGWFAFNDCR-KRWDZBQOSA-N 2 2 349.438 3.138 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648779965 462275596 /nfs/dbraw/zinc/27/55/96/462275596.db2.gz OUQZAXVLNZWXBC-ICSRJNTNSA-N 2 2 349.563 3.386 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648779965 462275603 /nfs/dbraw/zinc/27/56/03/462275603.db2.gz OUQZAXVLNZWXBC-ICSRJNTNSA-N 2 2 349.563 3.386 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812476 462279468 /nfs/dbraw/zinc/27/94/68/462279468.db2.gz DEBSJJMXYYHARG-XMSQKQJNSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812476 462279476 /nfs/dbraw/zinc/27/94/76/462279476.db2.gz DEBSJJMXYYHARG-XMSQKQJNSA-N 3 2 341.543 3.219 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)c2)c[nH+]1 ZINC000648792827 462280077 /nfs/dbraw/zinc/28/00/77/462280077.db2.gz SOEXMRYOTPHKAQ-RDTXWAMCSA-N 2 2 340.452 3.339 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000657877797 462305930 /nfs/dbraw/zinc/30/59/30/462305930.db2.gz DRZLJEFMWFHCAC-LVCYWYKZSA-N 2 2 331.548 3.213 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000657877797 462305936 /nfs/dbraw/zinc/30/59/36/462305936.db2.gz DRZLJEFMWFHCAC-LVCYWYKZSA-N 2 2 331.548 3.213 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880332 462306191 /nfs/dbraw/zinc/30/61/91/462306191.db2.gz WJQFYSBMCDCTOD-SFTDATJTSA-N 2 2 329.532 3.098 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880332 462306197 /nfs/dbraw/zinc/30/61/97/462306197.db2.gz WJQFYSBMCDCTOD-SFTDATJTSA-N 2 2 329.532 3.098 20 0 EGADLP CCC(CC)(C[NH2+][C@H](C)Cn1cncn1)[NH2+][C@H](C)c1ccccc1 ZINC000657891395 462310154 /nfs/dbraw/zinc/31/01/54/462310154.db2.gz XFLXRPBOMDETRT-IAGOWNOFSA-N 2 2 329.492 3.166 20 0 EGADLP COc1ccccc1COC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667952432 462341965 /nfs/dbraw/zinc/34/19/65/462341965.db2.gz ZKYLSBCVOYFQFQ-UHFFFAOYSA-N 2 2 341.455 3.019 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000654707180 462344278 /nfs/dbraw/zinc/34/42/78/462344278.db2.gz WBVWUDKKIGYBQT-DLBZAZTESA-N 2 2 346.862 3.003 20 0 EGADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000665253239 462370415 /nfs/dbraw/zinc/37/04/15/462370415.db2.gz LJNYTYCDWPOHGI-OSGQAZFXSA-N 2 2 338.442 3.204 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097372 462381781 /nfs/dbraw/zinc/38/17/81/462381781.db2.gz WUMTWELMOIBPMQ-YOEHRIQHSA-N 2 2 334.504 3.406 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097372 462381787 /nfs/dbraw/zinc/38/17/87/462381787.db2.gz WUMTWELMOIBPMQ-YOEHRIQHSA-N 2 2 334.504 3.406 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283679 462383133 /nfs/dbraw/zinc/38/31/33/462383133.db2.gz SBUNJYXJHOQERI-MLGOLLRUSA-N 2 2 338.373 3.475 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661727785 462383626 /nfs/dbraw/zinc/38/36/26/462383626.db2.gz GYDXBYFNLMBFHJ-SFHVURJKSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661727785 462383631 /nfs/dbraw/zinc/38/36/31/462383631.db2.gz GYDXBYFNLMBFHJ-SFHVURJKSA-N 2 2 335.398 3.323 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)[C@@H]1CCCC[NH2+]1 ZINC000665293846 462389341 /nfs/dbraw/zinc/38/93/41/462389341.db2.gz DKVWNEASDIPTKR-UXPWSPDFSA-N 2 2 332.488 3.002 20 0 EGADLP COc1ccc(C2([NH2+]CCc3cc[nH+]cc3C)CCOCC2)cc1 ZINC000645827324 462440002 /nfs/dbraw/zinc/44/00/02/462440002.db2.gz AUEZAKLVHMHBTQ-UHFFFAOYSA-N 2 2 326.440 3.237 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140658 462447219 /nfs/dbraw/zinc/44/72/19/462447219.db2.gz YVTBPCSPWZATHE-GVDBMIGSSA-N 2 2 348.487 3.380 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140658 462447223 /nfs/dbraw/zinc/44/72/23/462447223.db2.gz YVTBPCSPWZATHE-GVDBMIGSSA-N 2 2 348.487 3.380 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138770 462447697 /nfs/dbraw/zinc/44/76/97/462447697.db2.gz PSWZWAHPMQCXRW-KKSFZXQISA-N 2 2 337.467 3.254 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138770 462447702 /nfs/dbraw/zinc/44/77/02/462447702.db2.gz PSWZWAHPMQCXRW-KKSFZXQISA-N 2 2 337.467 3.254 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296824 462462703 /nfs/dbraw/zinc/46/27/03/462462703.db2.gz WGCVDCOBBOJQHK-KSSFIOAISA-N 2 2 338.442 3.129 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2[nH+]1 ZINC000649297601 462470734 /nfs/dbraw/zinc/47/07/34/462470734.db2.gz GMFBDGKVMBGRFU-GFCCVEGCSA-N 2 2 336.386 3.089 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)ccc2n1C ZINC000649343104 462481459 /nfs/dbraw/zinc/48/14/59/462481459.db2.gz DWTCPZBHPPMUTF-UHFFFAOYSA-N 2 2 348.450 3.142 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000649408085 462501128 /nfs/dbraw/zinc/50/11/28/462501128.db2.gz SMVJLPGDPJOVPQ-LBPRGKRZSA-N 2 2 325.441 3.452 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186948580 533847993 /nfs/dbraw/zinc/84/79/93/533847993.db2.gz SCBZSZHHMMNSHU-NSHDSACASA-N 2 2 330.245 3.120 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000131774534 534080335 /nfs/dbraw/zinc/08/03/35/534080335.db2.gz FEFGPYDNAVMCPD-QWRGUYRKSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000131774534 534080338 /nfs/dbraw/zinc/08/03/38/534080338.db2.gz FEFGPYDNAVMCPD-QWRGUYRKSA-N 2 2 347.684 3.150 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1 ZINC000181346706 534138875 /nfs/dbraw/zinc/13/88/75/534138875.db2.gz HJTGDEBUGJFVNS-UHFFFAOYSA-N 2 2 337.423 3.082 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969155 534448206 /nfs/dbraw/zinc/44/82/06/534448206.db2.gz OCIXGJFOVCRRSQ-LQWHRVPQSA-N 3 2 329.532 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969155 534448212 /nfs/dbraw/zinc/44/82/12/534448212.db2.gz OCIXGJFOVCRRSQ-LQWHRVPQSA-N 3 2 329.532 3.012 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246829099 534917519 /nfs/dbraw/zinc/91/75/19/534917519.db2.gz BAGHDKMYLVMAES-IEBWSBKVSA-N 2 2 333.520 3.070 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246829099 534917520 /nfs/dbraw/zinc/91/75/20/534917520.db2.gz BAGHDKMYLVMAES-IEBWSBKVSA-N 2 2 333.520 3.070 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820118 535250792 /nfs/dbraw/zinc/25/07/92/535250792.db2.gz FYNLWSUISRIOSC-CVEARBPZSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820118 535250801 /nfs/dbraw/zinc/25/08/01/535250801.db2.gz FYNLWSUISRIOSC-CVEARBPZSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820118 535250806 /nfs/dbraw/zinc/25/08/06/535250806.db2.gz FYNLWSUISRIOSC-CVEARBPZSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820118 535250812 /nfs/dbraw/zinc/25/08/12/535250812.db2.gz FYNLWSUISRIOSC-CVEARBPZSA-N 2 2 335.517 3.053 20 0 EGADLP COc1ccc(F)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000353011184 536597260 /nfs/dbraw/zinc/59/72/60/536597260.db2.gz YOCUSEVQGJZYRW-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000353011184 536597265 /nfs/dbraw/zinc/59/72/65/536597265.db2.gz YOCUSEVQGJZYRW-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000353011184 536597270 /nfs/dbraw/zinc/59/72/70/536597270.db2.gz YOCUSEVQGJZYRW-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000353011184 536597273 /nfs/dbraw/zinc/59/72/73/536597273.db2.gz YOCUSEVQGJZYRW-JXFKEZNVSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[N@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000353011187 536598071 /nfs/dbraw/zinc/59/80/71/536598071.db2.gz YOCUSEVQGJZYRW-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000353011187 536598076 /nfs/dbraw/zinc/59/80/76/536598076.db2.gz YOCUSEVQGJZYRW-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000353011187 536598078 /nfs/dbraw/zinc/59/80/78/536598078.db2.gz YOCUSEVQGJZYRW-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000353011187 536598082 /nfs/dbraw/zinc/59/80/82/536598082.db2.gz YOCUSEVQGJZYRW-UZLBHIALSA-N 2 2 343.446 3.354 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000090170900 546654136 /nfs/dbraw/zinc/65/41/36/546654136.db2.gz LMVASSAVZHHJRD-LJQANCHMSA-N 3 2 326.488 3.306 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000090170900 546654139 /nfs/dbraw/zinc/65/41/39/546654139.db2.gz LMVASSAVZHHJRD-LJQANCHMSA-N 3 2 326.488 3.306 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CN1Cc1ccccc1 ZINC000090170900 546654143 /nfs/dbraw/zinc/65/41/43/546654143.db2.gz LMVASSAVZHHJRD-LJQANCHMSA-N 2 2 326.488 3.306 20 0 EGADLP CC(C)c1nc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC000110117621 546697254 /nfs/dbraw/zinc/69/72/54/546697254.db2.gz VVQXBZVFYNPZLC-UHFFFAOYSA-N 2 2 326.444 3.044 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000123133699 546738674 /nfs/dbraw/zinc/73/86/74/546738674.db2.gz KFVUCWJIVXSTAK-LAUBAEHRSA-N 3 2 329.532 3.143 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000123133699 546738678 /nfs/dbraw/zinc/73/86/78/546738678.db2.gz KFVUCWJIVXSTAK-LAUBAEHRSA-N 3 2 329.532 3.143 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000125041791 546749349 /nfs/dbraw/zinc/74/93/49/546749349.db2.gz SFCXUPMKJFEPSB-NQIIRXRSSA-N 3 2 329.532 3.452 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166204166 546987237 /nfs/dbraw/zinc/98/72/37/546987237.db2.gz WCEIEVVERXXTSA-LEWJYISDSA-N 3 2 327.516 3.176 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166204166 546987241 /nfs/dbraw/zinc/98/72/41/546987241.db2.gz WCEIEVVERXXTSA-LEWJYISDSA-N 3 2 327.516 3.176 20 0 EGADLP C[C@@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1[nH]cc[nH+]1 ZINC000286318432 547392726 /nfs/dbraw/zinc/39/27/26/547392726.db2.gz XUARRNUPJYYGMV-OAHLLOKOSA-N 2 2 325.460 3.115 20 0 EGADLP Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)cn1 ZINC000361627966 547763766 /nfs/dbraw/zinc/76/37/66/547763766.db2.gz QVWXNECTAXTFCD-UHFFFAOYSA-N 2 2 346.438 3.061 20 0 EGADLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000443675339 547921483 /nfs/dbraw/zinc/92/14/83/547921483.db2.gz OWPQMSNOLVTHNA-GFCCVEGCSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@H]1C[N@H+](CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCO1 ZINC000533101173 548041465 /nfs/dbraw/zinc/04/14/65/548041465.db2.gz XVMDZSWARZSEBS-LBPRGKRZSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CCO1 ZINC000533101173 548041470 /nfs/dbraw/zinc/04/14/70/548041470.db2.gz XVMDZSWARZSEBS-LBPRGKRZSA-N 2 2 339.361 3.386 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000671746839 548351162 /nfs/dbraw/zinc/35/11/62/548351162.db2.gz OMNRWAGBNAUWPR-KBXCAEBGSA-N 2 2 332.488 3.017 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000671746839 548351163 /nfs/dbraw/zinc/35/11/63/548351163.db2.gz OMNRWAGBNAUWPR-KBXCAEBGSA-N 2 2 332.488 3.017 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000674880647 548820693 /nfs/dbraw/zinc/82/06/93/548820693.db2.gz SGZHEPKHLXKKJY-IIBYNOLFSA-N 2 2 337.467 3.255 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000674880647 548820697 /nfs/dbraw/zinc/82/06/97/548820697.db2.gz SGZHEPKHLXKKJY-IIBYNOLFSA-N 2 2 337.467 3.255 20 0 EGADLP O[C@]1(C[NH2+][C@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000675898029 548999361 /nfs/dbraw/zinc/99/93/61/548999361.db2.gz DIGKJGJVRGUZFZ-ICSRJNTNSA-N 2 2 340.492 3.060 20 0 EGADLP O[C@]1(C[NH2+][C@H]2CSc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898029 548999367 /nfs/dbraw/zinc/99/93/67/548999367.db2.gz DIGKJGJVRGUZFZ-ICSRJNTNSA-N 2 2 340.492 3.060 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000675898291 548999788 /nfs/dbraw/zinc/99/97/88/548999788.db2.gz KWRWKWKHZLXQQM-LAUBAEHRSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000675898291 548999790 /nfs/dbraw/zinc/99/97/90/548999790.db2.gz KWRWKWKHZLXQQM-LAUBAEHRSA-N 2 2 342.458 3.422 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160100 549413978 /nfs/dbraw/zinc/41/39/78/549413978.db2.gz JENKALKSXMHIHX-QUCCMNQESA-N 2 2 341.455 3.278 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160100 549413981 /nfs/dbraw/zinc/41/39/81/549413981.db2.gz JENKALKSXMHIHX-QUCCMNQESA-N 2 2 341.455 3.278 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[C@H]([N@H+](C)Cc4ccccc4)C3)n2c1 ZINC000678282562 549458991 /nfs/dbraw/zinc/45/89/91/549458991.db2.gz YZKHWPFIFUAGAE-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)n2c1 ZINC000678282562 549458993 /nfs/dbraw/zinc/45/89/93/549458993.db2.gz YZKHWPFIFUAGAE-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3cccs3)c2cc1C ZINC000678586310 549525150 /nfs/dbraw/zinc/52/51/50/549525150.db2.gz DRYWCZYGCQQRIC-HUUCEWRRSA-N 2 2 329.469 3.426 20 0 EGADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867237 549920599 /nfs/dbraw/zinc/92/05/99/549920599.db2.gz CGLHMDACAMHBAZ-ZZVGESKWSA-N 2 2 349.563 3.124 20 0 EGADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867237 549920601 /nfs/dbraw/zinc/92/06/01/549920601.db2.gz CGLHMDACAMHBAZ-ZZVGESKWSA-N 2 2 349.563 3.124 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616001 550120333 /nfs/dbraw/zinc/12/03/33/550120333.db2.gz OVCVNDDOOCWNCX-IHPCNDPISA-N 2 2 340.515 3.412 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616001 550120336 /nfs/dbraw/zinc/12/03/36/550120336.db2.gz OVCVNDDOOCWNCX-IHPCNDPISA-N 2 2 340.515 3.412 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204243 550303632 /nfs/dbraw/zinc/30/36/32/550303632.db2.gz IDPDTBXQUZZCBG-NHCUHLMSSA-N 2 2 326.484 3.206 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204243 550303634 /nfs/dbraw/zinc/30/36/34/550303634.db2.gz IDPDTBXQUZZCBG-NHCUHLMSSA-N 2 2 326.484 3.206 20 0 EGADLP COc1ccccc1C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684571970 550344721 /nfs/dbraw/zinc/34/47/21/550344721.db2.gz ATWYDKPAVHKXOW-UHFFFAOYSA-N 2 2 349.434 3.271 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000684611637 550348542 /nfs/dbraw/zinc/34/85/42/550348542.db2.gz JYDMYPGJFQKWHJ-CQSZACIVSA-N 2 2 344.421 3.337 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000685875355 550450958 /nfs/dbraw/zinc/45/09/58/550450958.db2.gz RGPSMBKRLXBPNX-DLBZAZTESA-N 2 2 332.492 3.221 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000685875355 550450960 /nfs/dbraw/zinc/45/09/60/550450960.db2.gz RGPSMBKRLXBPNX-DLBZAZTESA-N 2 2 332.492 3.221 20 0 EGADLP Cc1ccc(-c2nn(C[NH+]3CCC(C[NH+](C)C)CC3)c(=S)o2)cc1 ZINC000738074941 574653067 /nfs/dbraw/zinc/65/30/67/574653067.db2.gz ADYUFAFAKPHZEL-UHFFFAOYSA-N 2 2 346.500 3.412 20 0 EGADLP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729265918 574834805 /nfs/dbraw/zinc/83/48/05/574834805.db2.gz VKFITYCMIXLZOR-SFHVURJKSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729265918 574834806 /nfs/dbraw/zinc/83/48/06/574834806.db2.gz VKFITYCMIXLZOR-SFHVURJKSA-N 2 2 340.471 3.456 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000309947515 574980913 /nfs/dbraw/zinc/98/09/13/574980913.db2.gz QPWRCDMESJUZQO-BZUAXINKSA-N 2 2 336.480 3.039 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000309946177 574980980 /nfs/dbraw/zinc/98/09/80/574980980.db2.gz GOGGEQHQKAXGFN-JKSUJKDBSA-N 2 2 336.480 3.089 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000731483968 575076290 /nfs/dbraw/zinc/07/62/90/575076290.db2.gz WSLCBKQEEMICOV-IRXDYDNUSA-N 2 2 348.491 3.167 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000731483968 575076292 /nfs/dbraw/zinc/07/62/92/575076292.db2.gz WSLCBKQEEMICOV-IRXDYDNUSA-N 2 2 348.491 3.167 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742374676 576775580 /nfs/dbraw/zinc/77/55/80/576775580.db2.gz BVVMILQKNDCOMN-ZFWWWQNUSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742374676 576775581 /nfs/dbraw/zinc/77/55/81/576775581.db2.gz BVVMILQKNDCOMN-ZFWWWQNUSA-N 2 2 332.879 3.406 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000742385653 576777899 /nfs/dbraw/zinc/77/78/99/576777899.db2.gz NOHANRWRFVJXPO-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000742385653 576777901 /nfs/dbraw/zinc/77/79/01/576777901.db2.gz NOHANRWRFVJXPO-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC000067693920 1292168574 /nfs/dbraw/zinc/16/85/74/1292168574.db2.gz IKFGZKBCPNSPNM-NHCUHLMSSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC000067693920 1292168576 /nfs/dbraw/zinc/16/85/76/1292168576.db2.gz IKFGZKBCPNSPNM-NHCUHLMSSA-N 2 2 337.467 3.377 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000080338719 1292596742 /nfs/dbraw/zinc/59/67/42/1292596742.db2.gz AWYWULMMINLYOU-WBVHZDCISA-N 2 2 344.528 3.352 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000080338719 1292596748 /nfs/dbraw/zinc/59/67/48/1292596748.db2.gz AWYWULMMINLYOU-WBVHZDCISA-N 2 2 344.528 3.352 20 0 EGADLP CCOC(=O)N1CCC([NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000089154929 1292758708 /nfs/dbraw/zinc/75/87/08/1292758708.db2.gz YXSFMUFWJSNQIT-INIZCTEOSA-N 2 2 347.503 3.326 20 0 EGADLP c1ncn(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)n1 ZINC000114772539 1293177926 /nfs/dbraw/zinc/17/79/26/1293177926.db2.gz OBZJBHQKGLJZQD-OAQYLSRUSA-N 2 2 347.466 3.022 20 0 EGADLP c1ncn(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)n1 ZINC000114772539 1293177931 /nfs/dbraw/zinc/17/79/31/1293177931.db2.gz OBZJBHQKGLJZQD-OAQYLSRUSA-N 2 2 347.466 3.022 20 0 EGADLP Cc1ccc(F)c(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000116914285 1293211352 /nfs/dbraw/zinc/21/13/52/1293211352.db2.gz BFAVSLDQDQMQER-UHFFFAOYSA-N 2 2 341.474 3.171 20 0 EGADLP Cc1ccc(F)c(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000116914285 1293211362 /nfs/dbraw/zinc/21/13/62/1293211362.db2.gz BFAVSLDQDQMQER-UHFFFAOYSA-N 2 2 341.474 3.171 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)C1 ZINC000120789518 1293338272 /nfs/dbraw/zinc/33/82/72/1293338272.db2.gz SRRDPGOLYUPJLJ-OAHLLOKOSA-N 2 2 332.879 3.266 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)C1 ZINC000120789518 1293338280 /nfs/dbraw/zinc/33/82/80/1293338280.db2.gz SRRDPGOLYUPJLJ-OAHLLOKOSA-N 2 2 332.879 3.266 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)C1 ZINC000120789676 1293339392 /nfs/dbraw/zinc/33/93/92/1293339392.db2.gz SRRDPGOLYUPJLJ-HNNXBMFYSA-N 2 2 332.879 3.266 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)C1 ZINC000120789676 1293339405 /nfs/dbraw/zinc/33/94/05/1293339405.db2.gz SRRDPGOLYUPJLJ-HNNXBMFYSA-N 2 2 332.879 3.266 20 0 EGADLP CC(C)C[C@@H](CN(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121728629 1293386644 /nfs/dbraw/zinc/38/66/44/1293386644.db2.gz TXETUSHKZHZMRQ-NRFANRHFSA-N 2 2 331.548 3.259 20 0 EGADLP Cc1noc(C)c1C[NH+](C)C/C=C/C[N@@H+](C)Cc1c(C)noc1C ZINC000122992742 1293430415 /nfs/dbraw/zinc/43/04/15/1293430415.db2.gz KRRNPSYRVKPOAA-BQYQJAHWSA-N 2 2 332.448 3.016 20 0 EGADLP Cc1noc(C)c1C[NH+](C)C/C=C/C[N@H+](C)Cc1c(C)noc1C ZINC000122992742 1293430419 /nfs/dbraw/zinc/43/04/19/1293430419.db2.gz KRRNPSYRVKPOAA-BQYQJAHWSA-N 2 2 332.448 3.016 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000131026302 1293677467 /nfs/dbraw/zinc/67/74/67/1293677467.db2.gz NCBUPRHBALVYPP-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1nccn1C ZINC000183032650 1295093919 /nfs/dbraw/zinc/09/39/19/1295093919.db2.gz CYGJMBJVKNNEGB-IBGZPJMESA-N 2 2 341.503 3.196 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760857 1295283316 /nfs/dbraw/zinc/28/33/16/1295283316.db2.gz XEJNKCHCAINZGL-KBPBESRZSA-N 2 2 335.423 3.477 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760857 1295283324 /nfs/dbraw/zinc/28/33/24/1295283324.db2.gz XEJNKCHCAINZGL-KBPBESRZSA-N 2 2 335.423 3.477 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000236921364 1296212231 /nfs/dbraw/zinc/21/22/31/1296212231.db2.gz LSKOLGMIDGRNPJ-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP [NH3+][C@H](C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1)C1CCCC1 ZINC000871666319 1296472194 /nfs/dbraw/zinc/47/21/94/1296472194.db2.gz CIVRDFHHYKENIT-SJLPKXTDSA-N 2 2 343.519 3.201 20 0 EGADLP [NH3+][C@H](C[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1)C1CCCC1 ZINC000871666319 1296472195 /nfs/dbraw/zinc/47/21/95/1296472195.db2.gz CIVRDFHHYKENIT-SJLPKXTDSA-N 2 2 343.519 3.201 20 0 EGADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155943 1296772169 /nfs/dbraw/zinc/77/21/69/1296772169.db2.gz BGPHEYAAYOMQTG-GDBMZVCRSA-N 2 2 334.508 3.487 20 0 EGADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155943 1296772183 /nfs/dbraw/zinc/77/21/83/1296772183.db2.gz BGPHEYAAYOMQTG-GDBMZVCRSA-N 2 2 334.508 3.487 20 0 EGADLP CCC[N@H+](CC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309947406 1297079623 /nfs/dbraw/zinc/07/96/23/1297079623.db2.gz PETCCDVNJZOFRA-UHFFFAOYSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[N@@H+](CC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309947406 1297079640 /nfs/dbraw/zinc/07/96/40/1297079640.db2.gz PETCCDVNJZOFRA-UHFFFAOYSA-N 3 2 329.532 3.363 20 0 EGADLP CC(C)(C)OC(=O)NC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000310852624 1297101703 /nfs/dbraw/zinc/10/17/03/1297101703.db2.gz RNAQZULYQXBAPM-UHFFFAOYSA-N 2 2 342.443 3.018 20 0 EGADLP CCC[N@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382945692 1297566526 /nfs/dbraw/zinc/56/65/26/1297566526.db2.gz RTOYYLUAFOTHHO-FQEVSTJZSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382945692 1297566535 /nfs/dbraw/zinc/56/65/35/1297566535.db2.gz RTOYYLUAFOTHHO-FQEVSTJZSA-N 3 2 329.532 3.363 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000394582471 1297677828 /nfs/dbraw/zinc/67/78/28/1297677828.db2.gz ZUXZMWDNKAIKKX-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000394582471 1297677839 /nfs/dbraw/zinc/67/78/39/1297677839.db2.gz ZUXZMWDNKAIKKX-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000394493470 1297678118 /nfs/dbraw/zinc/67/81/18/1297678118.db2.gz CSMHDRODGDOFFF-SFHVURJKSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000394493470 1297678126 /nfs/dbraw/zinc/67/81/26/1297678126.db2.gz CSMHDRODGDOFFF-SFHVURJKSA-N 2 2 332.879 3.075 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000401014064 1297736247 /nfs/dbraw/zinc/73/62/47/1297736247.db2.gz CPWLYCYRGUOCKY-SJORKVTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000401014064 1297736256 /nfs/dbraw/zinc/73/62/56/1297736256.db2.gz CPWLYCYRGUOCKY-SJORKVTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000401014064 1297736264 /nfs/dbraw/zinc/73/62/64/1297736264.db2.gz CPWLYCYRGUOCKY-SJORKVTESA-N 2 2 343.496 3.106 20 0 EGADLP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC000401014064 1297736271 /nfs/dbraw/zinc/73/62/71/1297736271.db2.gz CPWLYCYRGUOCKY-SJORKVTESA-N 2 2 343.496 3.106 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1Cl ZINC000708551674 1298243462 /nfs/dbraw/zinc/24/34/62/1298243462.db2.gz RFBFCNKDHFIWHM-RHSMWYFYSA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1Cl ZINC000708551674 1298243475 /nfs/dbraw/zinc/24/34/75/1298243475.db2.gz RFBFCNKDHFIWHM-RHSMWYFYSA-N 2 2 346.906 3.240 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000710371823 1298256510 /nfs/dbraw/zinc/25/65/10/1298256510.db2.gz APMHVNJXIOMKAA-ARFHVFGLSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000710371823 1298256513 /nfs/dbraw/zinc/25/65/13/1298256513.db2.gz APMHVNJXIOMKAA-ARFHVFGLSA-N 2 2 339.524 3.142 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042941 1298306204 /nfs/dbraw/zinc/30/62/04/1298306204.db2.gz VWPNQFZGTRDDPZ-HSALFYBXSA-N 2 2 328.500 3.444 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042941 1298306216 /nfs/dbraw/zinc/30/62/16/1298306216.db2.gz VWPNQFZGTRDDPZ-HSALFYBXSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651000 1298630667 /nfs/dbraw/zinc/63/06/67/1298630667.db2.gz GZFVLFLGGVGFPK-BBRMVZONSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651000 1298630674 /nfs/dbraw/zinc/63/06/74/1298630674.db2.gz GZFVLFLGGVGFPK-BBRMVZONSA-N 2 2 330.394 3.155 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2csc3ccccc32)CC1 ZINC000754743363 1300207116 /nfs/dbraw/zinc/20/71/16/1300207116.db2.gz PQVCXSJFVSSAEV-CABCVRRESA-N 2 2 345.512 3.105 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2csc3ccccc32)CC1 ZINC000754743370 1300207869 /nfs/dbraw/zinc/20/78/69/1300207869.db2.gz PQVCXSJFVSSAEV-GJZGRUSLSA-N 2 2 345.512 3.105 20 0 EGADLP COC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000879662470 1300659648 /nfs/dbraw/zinc/65/96/48/1300659648.db2.gz AOCPRGPBMWMUGI-HNNXBMFYSA-N 2 2 338.249 3.013 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201921 1300981456 /nfs/dbraw/zinc/98/14/56/1300981456.db2.gz VDILDKQHZWHJDZ-AZUAARDMSA-N 2 2 328.500 3.340 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880201921 1300981464 /nfs/dbraw/zinc/98/14/64/1300981464.db2.gz VDILDKQHZWHJDZ-AZUAARDMSA-N 2 2 328.500 3.340 20 0 EGADLP Cn1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C(F)F)n1 ZINC000880570927 1301165394 /nfs/dbraw/zinc/16/53/94/1301165394.db2.gz ZUVLTUSNTBXFHP-HNNXBMFYSA-N 2 2 331.370 3.085 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857695 1301179054 /nfs/dbraw/zinc/17/90/54/1301179054.db2.gz JQDIYXMRSBARGY-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857695 1301179060 /nfs/dbraw/zinc/17/90/60/1301179060.db2.gz JQDIYXMRSBARGY-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857695 1301179063 /nfs/dbraw/zinc/17/90/63/1301179063.db2.gz JQDIYXMRSBARGY-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857695 1301179066 /nfs/dbraw/zinc/17/90/66/1301179066.db2.gz JQDIYXMRSBARGY-KSSFIOAISA-N 2 2 340.870 3.176 20 0 EGADLP Cc1ccccc1C([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1C ZINC000760894836 1301357904 /nfs/dbraw/zinc/35/79/04/1301357904.db2.gz QRXAVLJEZCXNIY-IBGZPJMESA-N 2 2 338.495 3.439 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)c(F)c(F)c1 ZINC000765974521 1302361212 /nfs/dbraw/zinc/36/12/12/1302361212.db2.gz ICDGTMJWOLUADK-WFASDCNBSA-N 2 2 342.405 3.398 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883388092 1302426261 /nfs/dbraw/zinc/42/62/61/1302426261.db2.gz LWYDAOSYBWPVAC-VQIMIIECSA-N 2 2 336.439 3.249 20 0 EGADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000769873972 1303186833 /nfs/dbraw/zinc/18/68/33/1303186833.db2.gz JEYPSLTUINBHQX-OAHLLOKOSA-N 2 2 343.471 3.228 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000771579828 1303422882 /nfs/dbraw/zinc/42/28/82/1303422882.db2.gz QLEKHYIFQQJDNC-SFHVURJKSA-N 2 2 345.805 3.488 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000886663118 1303544077 /nfs/dbraw/zinc/54/40/77/1303544077.db2.gz SVHMFKZYOLUFTB-UHFFFAOYSA-N 2 2 345.418 3.332 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)[nH+]c1C ZINC000886672777 1303551846 /nfs/dbraw/zinc/55/18/46/1303551846.db2.gz VDLPVGINEGOYIL-FDQGKXFDSA-N 2 2 346.519 3.289 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867882 1303620289 /nfs/dbraw/zinc/62/02/89/1303620289.db2.gz PUIJJMGSCPLJOL-BEFAXECRSA-N 2 2 326.444 3.263 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867882 1303620293 /nfs/dbraw/zinc/62/02/93/1303620293.db2.gz PUIJJMGSCPLJOL-BEFAXECRSA-N 2 2 326.444 3.263 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2cc[nH]n2)cc1C[NH+]1CCCCC1 ZINC000775385767 1303952175 /nfs/dbraw/zinc/95/21/75/1303952175.db2.gz MSJSTJHBJNVVDA-OAHLLOKOSA-N 2 2 328.460 3.255 20 0 EGADLP CC(C)(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000775542423 1303980744 /nfs/dbraw/zinc/98/07/44/1303980744.db2.gz LCWYNSCIDWEUDR-WMLDXEAASA-N 2 2 326.431 3.098 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574140 1304468761 /nfs/dbraw/zinc/46/87/61/1304468761.db2.gz VOWIITXWYSBIEU-ZWKOTPCHSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574140 1304468767 /nfs/dbraw/zinc/46/87/67/1304468767.db2.gz VOWIITXWYSBIEU-ZWKOTPCHSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574136 1304469005 /nfs/dbraw/zinc/46/90/05/1304469005.db2.gz VOWIITXWYSBIEU-QZTJIDSGSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574136 1304469011 /nfs/dbraw/zinc/46/90/11/1304469011.db2.gz VOWIITXWYSBIEU-QZTJIDSGSA-N 2 2 343.519 3.168 20 0 EGADLP CC[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000779015248 1304518510 /nfs/dbraw/zinc/51/85/10/1304518510.db2.gz SKUXLSNCLJOKBA-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000783672707 1305126132 /nfs/dbraw/zinc/12/61/32/1305126132.db2.gz HOXZMKDIYFNTPH-LJQANCHMSA-N 2 2 340.471 3.221 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000783672707 1305126134 /nfs/dbraw/zinc/12/61/34/1305126134.db2.gz HOXZMKDIYFNTPH-LJQANCHMSA-N 2 2 340.471 3.221 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000892738386 1305531253 /nfs/dbraw/zinc/53/12/53/1305531253.db2.gz CAFBSYMDQXSDBI-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000892738386 1305531258 /nfs/dbraw/zinc/53/12/58/1305531258.db2.gz CAFBSYMDQXSDBI-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP COCCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000892749985 1305538618 /nfs/dbraw/zinc/53/86/18/1305538618.db2.gz JKXJJUNMUKEKQI-UHFFFAOYSA-N 2 2 336.476 3.049 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000788246417 1305906318 /nfs/dbraw/zinc/90/63/18/1305906318.db2.gz DDKJSDDFHRBBPA-HYVNUMGLSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000788246417 1305906323 /nfs/dbraw/zinc/90/63/23/1305906323.db2.gz DDKJSDDFHRBBPA-HYVNUMGLSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788250669 1305907557 /nfs/dbraw/zinc/90/75/57/1305907557.db2.gz TXJVJOSYUBJFPI-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788250669 1305907560 /nfs/dbraw/zinc/90/75/60/1305907560.db2.gz TXJVJOSYUBJFPI-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP COCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893489567 1305922445 /nfs/dbraw/zinc/92/24/45/1305922445.db2.gz ZDZGYJZDJRHESJ-HZPDHXFCSA-N 2 2 336.476 3.047 20 0 EGADLP COCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893489567 1305922453 /nfs/dbraw/zinc/92/24/53/1305922453.db2.gz ZDZGYJZDJRHESJ-HZPDHXFCSA-N 2 2 336.476 3.047 20 0 EGADLP CCC[C@@H]1CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788381812 1305933671 /nfs/dbraw/zinc/93/36/71/1305933671.db2.gz HTOFQXCCIXNCEH-MRXNPFEDSA-N 2 2 344.503 3.005 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607824 1305980098 /nfs/dbraw/zinc/98/00/98/1305980098.db2.gz DDFUFIYTNUBHIY-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607824 1305980110 /nfs/dbraw/zinc/98/01/10/1305980110.db2.gz DDFUFIYTNUBHIY-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)ccc1OC ZINC000788982276 1306057511 /nfs/dbraw/zinc/05/75/11/1306057511.db2.gz GOAKTBUYHKCPDX-HUUCEWRRSA-N 2 2 345.491 3.077 20 0 EGADLP CCCCn1c(SCC[NH+]2CCCC2)nnc1[C@H](CC)[NH+](C)C ZINC000789446239 1306162261 /nfs/dbraw/zinc/16/22/61/1306162261.db2.gz XYCVQTUXIDWPEN-HNNXBMFYSA-N 2 2 339.553 3.279 20 0 EGADLP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cnc1F ZINC000894114400 1306225738 /nfs/dbraw/zinc/22/57/38/1306225738.db2.gz VYTPBXKRVOORLW-UHFFFAOYSA-N 2 2 328.435 3.442 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790533154 1306346572 /nfs/dbraw/zinc/34/65/72/1306346572.db2.gz ZNHAHTDHKVVDRE-QGZVFWFLSA-N 2 2 346.906 3.406 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790533154 1306346583 /nfs/dbraw/zinc/34/65/83/1306346583.db2.gz ZNHAHTDHKVVDRE-QGZVFWFLSA-N 2 2 346.906 3.406 20 0 EGADLP C[NH+]1CCC(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000894475594 1308911268 /nfs/dbraw/zinc/91/12/68/1308911268.db2.gz GAOXHEHRXDRJEJ-UHFFFAOYSA-N 3 2 346.906 3.381 20 0 EGADLP C[NH+]1CCC(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000894475594 1308911276 /nfs/dbraw/zinc/91/12/76/1308911276.db2.gz GAOXHEHRXDRJEJ-UHFFFAOYSA-N 3 2 346.906 3.381 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000895827266 1309540769 /nfs/dbraw/zinc/54/07/69/1309540769.db2.gz IZYNKEWSKPSXRS-UHFFFAOYSA-N 2 2 332.488 3.463 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000896198726 1309740024 /nfs/dbraw/zinc/74/00/24/1309740024.db2.gz UIUVTNSHRBVVLB-UHFFFAOYSA-N 2 2 337.427 3.450 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796281196 1309951411 /nfs/dbraw/zinc/95/14/11/1309951411.db2.gz IMHNMDVZDSFOII-GFCCVEGCSA-N 2 2 341.286 3.461 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796281196 1309951415 /nfs/dbraw/zinc/95/14/15/1309951415.db2.gz IMHNMDVZDSFOII-GFCCVEGCSA-N 2 2 341.286 3.461 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796293661 1309954939 /nfs/dbraw/zinc/95/49/39/1309954939.db2.gz HBJGQPXIRAKOTD-LLVKDONJSA-N 2 2 327.259 3.073 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796293661 1309954945 /nfs/dbraw/zinc/95/49/45/1309954945.db2.gz HBJGQPXIRAKOTD-LLVKDONJSA-N 2 2 327.259 3.073 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577980 1319402578 /nfs/dbraw/zinc/40/25/78/1319402578.db2.gz PQZBPRGYUAGZQM-GXFFZTMASA-N 2 2 344.322 3.288 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(-c3cccc(OC)c3)no2)CC1 ZINC000897840469 1310487205 /nfs/dbraw/zinc/48/72/05/1310487205.db2.gz BDLVOMHRHCBEMX-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP Cc1cn(C(C)(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c[nH+]1 ZINC000897908291 1310513366 /nfs/dbraw/zinc/51/33/66/1310513366.db2.gz FWQIXUQDQYKFNW-KRWDZBQOSA-N 2 2 326.444 3.114 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000929527861 1328626966 /nfs/dbraw/zinc/62/69/66/1328626966.db2.gz WPLBULKZWNSADI-MOPGFXCFSA-N 2 2 341.455 3.085 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000929527861 1328626970 /nfs/dbraw/zinc/62/69/70/1328626970.db2.gz WPLBULKZWNSADI-MOPGFXCFSA-N 2 2 341.455 3.085 20 0 EGADLP Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000858011892 1328657311 /nfs/dbraw/zinc/65/73/11/1328657311.db2.gz TUWXIUWEADUKSB-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000858011892 1328657316 /nfs/dbraw/zinc/65/73/16/1328657316.db2.gz TUWXIUWEADUKSB-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000802303784 1316997702 /nfs/dbraw/zinc/99/77/02/1316997702.db2.gz RBZIGUWCHIBEOB-IPELMVKDSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000802303784 1316997707 /nfs/dbraw/zinc/99/77/07/1316997707.db2.gz RBZIGUWCHIBEOB-IPELMVKDSA-N 2 2 330.472 3.242 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCCSC3)CC2)cc1 ZINC000806179537 1317470192 /nfs/dbraw/zinc/47/01/92/1317470192.db2.gz SZWOHDRCBLMOEY-MRXNPFEDSA-N 2 2 333.545 3.454 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803802 1328705320 /nfs/dbraw/zinc/70/53/20/1328705320.db2.gz NQWOWIODTSOIQL-SFHVURJKSA-N 2 2 341.455 3.154 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1 ZINC000902408123 1317575201 /nfs/dbraw/zinc/57/52/01/1317575201.db2.gz XGMLTKVCJKTZKP-LBPRGKRZSA-N 2 2 344.425 3.106 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000903196120 1317671134 /nfs/dbraw/zinc/67/11/34/1317671134.db2.gz IEZRMRPQLRCMMA-BEVDRBHNSA-N 2 2 330.472 3.417 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000903196120 1317671137 /nfs/dbraw/zinc/67/11/37/1317671137.db2.gz IEZRMRPQLRCMMA-BEVDRBHNSA-N 2 2 330.472 3.417 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001020388571 1317675747 /nfs/dbraw/zinc/67/57/47/1317675747.db2.gz AICTVFOAZBLTRL-QAQDUYKDSA-N 2 2 348.450 3.002 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903726459 1317725687 /nfs/dbraw/zinc/72/56/87/1317725687.db2.gz LXEPRPDIXFQTQL-DYVFJYSZSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903726459 1317725691 /nfs/dbraw/zinc/72/56/91/1317725691.db2.gz LXEPRPDIXFQTQL-DYVFJYSZSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765446 1317731239 /nfs/dbraw/zinc/73/12/39/1317731239.db2.gz HIKLDJKMEUXAJO-GUYCJALGSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765446 1317731242 /nfs/dbraw/zinc/73/12/42/1317731242.db2.gz HIKLDJKMEUXAJO-GUYCJALGSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2cccnc2c1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817959 1317738101 /nfs/dbraw/zinc/73/81/01/1317738101.db2.gz QNOXBPZUPXGOSB-UHFFFAOYSA-N 2 2 345.874 3.233 20 0 EGADLP Clc1ccc2cccnc2c1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817959 1317738103 /nfs/dbraw/zinc/73/81/03/1317738103.db2.gz QNOXBPZUPXGOSB-UHFFFAOYSA-N 2 2 345.874 3.233 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000903897693 1317745421 /nfs/dbraw/zinc/74/54/21/1317745421.db2.gz INIVLNFBKQSKND-HUUCEWRRSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000903897693 1317745427 /nfs/dbraw/zinc/74/54/27/1317745427.db2.gz INIVLNFBKQSKND-HUUCEWRRSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000903898067 1317745661 /nfs/dbraw/zinc/74/56/61/1317745661.db2.gz HWFUKLATGARPNN-JKSUJKDBSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000903898067 1317745667 /nfs/dbraw/zinc/74/56/67/1317745667.db2.gz HWFUKLATGARPNN-JKSUJKDBSA-N 2 2 340.439 3.266 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000904305342 1317826970 /nfs/dbraw/zinc/82/69/70/1317826970.db2.gz LGPPEBWLMZJYJD-MRXNPFEDSA-N 2 2 347.503 3.196 20 0 EGADLP C[NH+](C)CCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816465 1318265965 /nfs/dbraw/zinc/26/59/65/1318265965.db2.gz UDNGQGMPTUSMBZ-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP C[NH+](C)CCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816465 1318265972 /nfs/dbraw/zinc/26/59/72/1318265972.db2.gz UDNGQGMPTUSMBZ-INIZCTEOSA-N 2 2 346.519 3.163 20 0 EGADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000812840321 1318469562 /nfs/dbraw/zinc/46/95/62/1318469562.db2.gz AJUMWVIQMWHKNB-RYGJVYDSSA-N 2 2 345.531 3.371 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCOC2=O)cc1 ZINC000815562370 1319016630 /nfs/dbraw/zinc/01/66/30/1319016630.db2.gz DELRMAAHBJZUPX-MRXNPFEDSA-N 2 2 342.443 3.361 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC001022886702 1319149887 /nfs/dbraw/zinc/14/98/87/1319149887.db2.gz GWMVGZXKWUICJQ-OIISXLGYSA-N 2 2 348.450 3.103 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1ccc2ccccc2c1 ZINC001022886990 1319150714 /nfs/dbraw/zinc/15/07/14/1319150714.db2.gz VTPHBCCCDJFQJL-ZOCIIQOWSA-N 2 2 348.450 3.103 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817573424 1319399660 /nfs/dbraw/zinc/39/96/60/1319399660.db2.gz DEQGPUXHQHMZLG-GFCCVEGCSA-N 2 2 341.278 3.151 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577980 1319402571 /nfs/dbraw/zinc/40/25/71/1319402571.db2.gz PQZBPRGYUAGZQM-GXFFZTMASA-N 2 2 344.322 3.288 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2cnc(C)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000817915915 1319459474 /nfs/dbraw/zinc/45/94/74/1319459474.db2.gz RMUFJJOBBQAVLO-QZTJIDSGSA-N 2 2 331.485 3.086 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)CCC[NH2+]1 ZINC000817974979 1319482506 /nfs/dbraw/zinc/48/25/06/1319482506.db2.gz OYVBQDDVIQBGEU-LRDDRELGSA-N 2 2 330.444 3.421 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819079532 1319629041 /nfs/dbraw/zinc/62/90/41/1319629041.db2.gz VQIUFTOOLVLPRH-BBRMVZONSA-N 2 2 330.394 3.203 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000819183807 1319660297 /nfs/dbraw/zinc/66/02/97/1319660297.db2.gz SPDGQLFWOAIYRE-DYESRHJHSA-N 2 2 339.483 3.239 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1Cl ZINC000827497393 1320457041 /nfs/dbraw/zinc/45/70/41/1320457041.db2.gz WIVFWJXHOVBYFZ-NWDGAFQWSA-N 2 2 335.810 3.302 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2cc1Cl ZINC000827497393 1320457043 /nfs/dbraw/zinc/45/70/43/1320457043.db2.gz WIVFWJXHOVBYFZ-NWDGAFQWSA-N 2 2 335.810 3.302 20 0 EGADLP CCCC[C@@H](C)[N@H+](CCCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000840091172 1321026491 /nfs/dbraw/zinc/02/64/91/1321026491.db2.gz JUBKYXOSYOLGRO-IAGOWNOFSA-N 2 2 334.508 3.374 20 0 EGADLP CCCC[C@@H](C)[N@@H+](CCCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000840091172 1321026494 /nfs/dbraw/zinc/02/64/94/1321026494.db2.gz JUBKYXOSYOLGRO-IAGOWNOFSA-N 2 2 334.508 3.374 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000841062198 1321211754 /nfs/dbraw/zinc/21/17/54/1321211754.db2.gz SUIRDGRFOGIVBJ-YOEHRIQHSA-N 2 2 346.906 3.432 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841100501 1321217983 /nfs/dbraw/zinc/21/79/83/1321217983.db2.gz FAJLIPVXTYPKIN-YOEHRIQHSA-N 2 2 346.906 3.310 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841100501 1321217986 /nfs/dbraw/zinc/21/79/86/1321217986.db2.gz FAJLIPVXTYPKIN-YOEHRIQHSA-N 2 2 346.906 3.310 20 0 EGADLP NC(Cc1cccnc1)=[NH+]OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000842036635 1321338135 /nfs/dbraw/zinc/33/81/35/1321338135.db2.gz PSQHFROOVXIAFB-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP C[C@H](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843187358 1321483939 /nfs/dbraw/zinc/48/39/39/1321483939.db2.gz OICVEYBVVOGEDY-GDBMZVCRSA-N 2 2 337.427 3.101 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1SC(F)(F)F ZINC000843385880 1321509535 /nfs/dbraw/zinc/50/95/35/1321509535.db2.gz ASJCNNQPFCDFHC-QWHCGFSZSA-N 2 2 346.418 3.491 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1SC(F)(F)F ZINC000843385880 1321509537 /nfs/dbraw/zinc/50/95/37/1321509537.db2.gz ASJCNNQPFCDFHC-QWHCGFSZSA-N 2 2 346.418 3.491 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C[NH3+])C3CC3)c2cc1C(C)C ZINC000843387677 1321509806 /nfs/dbraw/zinc/50/98/06/1321509806.db2.gz TVLOPOMEKCMKST-SFHVURJKSA-N 2 2 328.456 3.394 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H](C[NH3+])C3CC3)c2cc1C(C)C ZINC000843387677 1321509813 /nfs/dbraw/zinc/50/98/13/1321509813.db2.gz TVLOPOMEKCMKST-SFHVURJKSA-N 2 2 328.456 3.394 20 0 EGADLP C[C@H](CC(=O)O[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508873 1321714775 /nfs/dbraw/zinc/71/47/75/1321714775.db2.gz KMSMKTSRIYZQGW-ZIFCJYIRSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@H](CC(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508873 1321714779 /nfs/dbraw/zinc/71/47/79/1321714779.db2.gz KMSMKTSRIYZQGW-ZIFCJYIRSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845923537 1321754232 /nfs/dbraw/zinc/75/42/32/1321754232.db2.gz NYVXBPWBRKXHAP-GTPINHCMSA-N 2 2 339.524 3.144 20 0 EGADLP Cc1ncncc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000848528368 1321970277 /nfs/dbraw/zinc/97/02/77/1321970277.db2.gz FTLNSCSZVIYOKI-MRXNPFEDSA-N 2 2 339.487 3.171 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569255 1321977523 /nfs/dbraw/zinc/97/75/23/1321977523.db2.gz YIMSHUPANGIHQD-FFZOFVMBSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569255 1321977526 /nfs/dbraw/zinc/97/75/26/1321977526.db2.gz YIMSHUPANGIHQD-FFZOFVMBSA-N 2 2 341.499 3.481 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000859479314 1328997352 /nfs/dbraw/zinc/99/73/52/1328997352.db2.gz FJHOIQWEJQPFMK-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000859479314 1328997356 /nfs/dbraw/zinc/99/73/56/1328997356.db2.gz FJHOIQWEJQPFMK-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000859479314 1328997361 /nfs/dbraw/zinc/99/73/61/1328997361.db2.gz FJHOIQWEJQPFMK-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000859479314 1328997363 /nfs/dbraw/zinc/99/73/63/1328997363.db2.gz FJHOIQWEJQPFMK-IAGOWNOFSA-N 2 2 339.524 3.048 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])Nc1cccc(OC)c1)c1ccco1 ZINC000849051362 1322058884 /nfs/dbraw/zinc/05/88/84/1322058884.db2.gz IASJLWMKPQTBLB-CZUORRHYSA-N 2 2 330.432 3.354 20 0 EGADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+](C)C)cc1 ZINC000849077496 1322069491 /nfs/dbraw/zinc/06/94/91/1322069491.db2.gz AUUOQDGKXBZVIJ-IBGZPJMESA-N 2 2 346.519 3.333 20 0 EGADLP [NH2+]=C(NCCCCn1cc[nH+]c1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082997 1322071375 /nfs/dbraw/zinc/07/13/75/1322071375.db2.gz IFSXWAPWJCKLIW-UHFFFAOYSA-N 2 2 341.337 3.198 20 0 EGADLP COc1cncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000850138815 1322198004 /nfs/dbraw/zinc/19/80/04/1322198004.db2.gz JUZALDDPUKDPIN-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)c1 ZINC000921580911 1322357939 /nfs/dbraw/zinc/35/79/39/1322357939.db2.gz XNCKMNAVGJAWMT-MRXNPFEDSA-N 2 2 333.407 3.013 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ocnc1C ZINC000922329852 1322502778 /nfs/dbraw/zinc/50/27/78/1322502778.db2.gz WARXECKRDLWJHQ-UHFFFAOYSA-N 2 2 327.432 3.287 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679718 1323109720 /nfs/dbraw/zinc/10/97/20/1323109720.db2.gz LVYMPUHOHHUNPG-MDZRGWNJSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679718 1323109723 /nfs/dbraw/zinc/10/97/23/1323109723.db2.gz LVYMPUHOHHUNPG-MDZRGWNJSA-N 2 2 339.487 3.306 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924701381 1323119988 /nfs/dbraw/zinc/11/99/88/1323119988.db2.gz QIDJFFRHHUJOQE-VDGAXYAQSA-N 2 2 343.515 3.321 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924701381 1323119993 /nfs/dbraw/zinc/11/99/93/1323119993.db2.gz QIDJFFRHHUJOQE-VDGAXYAQSA-N 2 2 343.515 3.321 20 0 EGADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000924733169 1323138687 /nfs/dbraw/zinc/13/86/87/1323138687.db2.gz DMSQKZDJHBCDBQ-YZGWKJHDSA-N 2 2 343.515 3.106 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001024182171 1323194039 /nfs/dbraw/zinc/19/40/39/1323194039.db2.gz NPPOQAPRXIPLKY-HKUYNNGSSA-N 2 2 344.503 3.163 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCN3CCCC[C@@H]13)C2 ZINC000924890861 1323203202 /nfs/dbraw/zinc/20/32/02/1323203202.db2.gz WVRATANYFBYYAC-BBWFWOEESA-N 2 2 330.520 3.102 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024252074 1323236189 /nfs/dbraw/zinc/23/61/89/1323236189.db2.gz IZBQDBBKAKNBOG-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP Clc1nc2ccccn2c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093228 1323277707 /nfs/dbraw/zinc/27/77/07/1323277707.db2.gz GAPWKJPGCRMROV-OAHLLOKOSA-N 2 2 332.879 3.199 20 0 EGADLP Clc1nc2ccccn2c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093228 1323277718 /nfs/dbraw/zinc/27/77/18/1323277718.db2.gz GAPWKJPGCRMROV-OAHLLOKOSA-N 2 2 332.879 3.199 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647604 1323572919 /nfs/dbraw/zinc/57/29/19/1323572919.db2.gz PKQKVXSDRDEGMY-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024647604 1323572926 /nfs/dbraw/zinc/57/29/26/1323572926.db2.gz PKQKVXSDRDEGMY-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001024981009 1323812623 /nfs/dbraw/zinc/81/26/23/1323812623.db2.gz WEVMZKKTGJYQLR-FAFZWHIHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001024981009 1323812624 /nfs/dbraw/zinc/81/26/24/1323812624.db2.gz WEVMZKKTGJYQLR-FAFZWHIHSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226737 1324013605 /nfs/dbraw/zinc/01/36/05/1324013605.db2.gz KYUNKZCSJDMMNN-ZWKOTPCHSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226737 1324013612 /nfs/dbraw/zinc/01/36/12/1324013612.db2.gz KYUNKZCSJDMMNN-ZWKOTPCHSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457414 1324297817 /nfs/dbraw/zinc/29/78/17/1324297817.db2.gz CANBEEVZVXEDMQ-HOTGVXAUSA-N 2 2 340.471 3.359 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457414 1324297824 /nfs/dbraw/zinc/29/78/24/1324297824.db2.gz CANBEEVZVXEDMQ-HOTGVXAUSA-N 2 2 340.471 3.359 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026568414 1324901927 /nfs/dbraw/zinc/90/19/27/1324901927.db2.gz GBOWWQMEBVUMKZ-UHFFFAOYSA-N 2 2 346.519 3.330 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000925177732 1325072917 /nfs/dbraw/zinc/07/29/17/1325072917.db2.gz FEQPBPJATUNXNR-BEFAXECRSA-N 2 2 336.439 3.458 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1OCC ZINC000925510276 1325184814 /nfs/dbraw/zinc/18/48/14/1325184814.db2.gz TYCXPHSKJGOMHS-PDTRWMKNSA-N 2 2 330.472 3.131 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c[nH+]1 ZINC000925532486 1325194219 /nfs/dbraw/zinc/19/42/19/1325194219.db2.gz GVEYCDOJQHBEHQ-RTWAWAEBSA-N 3 2 338.499 3.189 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c(C)c2c1 ZINC000925550080 1325203820 /nfs/dbraw/zinc/20/38/20/1325203820.db2.gz PQKULWRNSWIAAZ-MXZKXVNZSA-N 2 2 326.440 3.397 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000925596802 1325226882 /nfs/dbraw/zinc/22/68/82/1325226882.db2.gz WPGDMECEBMIYHR-VQIMIIECSA-N 2 2 334.467 3.315 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925791534 1325302851 /nfs/dbraw/zinc/30/28/51/1325302851.db2.gz AMLAMTANJRPVDZ-ZFWWWQNUSA-N 2 2 340.414 3.097 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926112149 1325432629 /nfs/dbraw/zinc/43/26/29/1325432629.db2.gz MXLWUOTUBSCMDP-VYDXJSESSA-N 2 2 329.444 3.244 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926112149 1325432634 /nfs/dbraw/zinc/43/26/34/1325432634.db2.gz MXLWUOTUBSCMDP-VYDXJSESSA-N 2 2 329.444 3.244 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]CC(C)C)C3)c(C)[nH+]1 ZINC000964454021 1325532027 /nfs/dbraw/zinc/53/20/27/1325532027.db2.gz GFOIDVLTUWSIFJ-UHFFFAOYSA-N 2 2 329.488 3.293 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387592 1325587426 /nfs/dbraw/zinc/58/74/26/1325587426.db2.gz ALJDDJDBPATEAW-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387592 1325587433 /nfs/dbraw/zinc/58/74/33/1325587433.db2.gz ALJDDJDBPATEAW-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435286 1327673954 /nfs/dbraw/zinc/67/39/54/1327673954.db2.gz DELXQLTYARLMCV-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435286 1327673962 /nfs/dbraw/zinc/67/39/62/1327673962.db2.gz DELXQLTYARLMCV-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435286 1327673973 /nfs/dbraw/zinc/67/39/73/1327673973.db2.gz DELXQLTYARLMCV-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435286 1327673980 /nfs/dbraw/zinc/67/39/80/1327673980.db2.gz DELXQLTYARLMCV-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927052298 1327831210 /nfs/dbraw/zinc/83/12/10/1327831210.db2.gz NEZXTVWSGZLZDY-UWIFEVILSA-N 2 2 327.428 3.205 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC(C)CC2)C1 ZINC001027664362 1328054042 /nfs/dbraw/zinc/05/40/42/1328054042.db2.gz SUBMXRCXVAJZAX-VJFUWPCTSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001027664362 1328054047 /nfs/dbraw/zinc/05/40/47/1328054047.db2.gz SUBMXRCXVAJZAX-VJFUWPCTSA-N 2 2 346.519 3.010 20 0 EGADLP CC(C)CC[C@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000863660586 1329571450 /nfs/dbraw/zinc/57/14/50/1329571450.db2.gz ZEANPAFJDBDVFT-INIZCTEOSA-N 2 2 325.416 3.417 20 0 EGADLP c1ccc(CNc2cc(N3CCC[C@H]([NH+]4CCCC4)C3)nc[nH+]2)cc1 ZINC000865449416 1329698939 /nfs/dbraw/zinc/69/89/39/1329698939.db2.gz ZAPGCAQRMYBGBP-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865450274 1329699116 /nfs/dbraw/zinc/69/91/16/1329699116.db2.gz NMLKSGWIFSFFAX-ZDUSSCGKSA-N 2 2 326.282 3.054 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865450274 1329699118 /nfs/dbraw/zinc/69/91/18/1329699118.db2.gz NMLKSGWIFSFFAX-ZDUSSCGKSA-N 2 2 326.282 3.054 20 0 EGADLP CC1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000932063110 1329783274 /nfs/dbraw/zinc/78/32/74/1329783274.db2.gz MWUSVEVRWICNAF-UHFFFAOYSA-N 2 2 348.450 3.300 20 0 EGADLP CC1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000932063110 1329783276 /nfs/dbraw/zinc/78/32/76/1329783276.db2.gz MWUSVEVRWICNAF-UHFFFAOYSA-N 2 2 348.450 3.300 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC000944442550 1332412918 /nfs/dbraw/zinc/41/29/18/1332412918.db2.gz DHEKURZHLXGWND-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C[C@H]1C ZINC000944442550 1332412919 /nfs/dbraw/zinc/41/29/19/1332412919.db2.gz DHEKURZHLXGWND-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947437517 1333127269 /nfs/dbraw/zinc/12/72/69/1333127269.db2.gz RSFOKVMMOXJWDX-SJLPKXTDSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947437517 1333127271 /nfs/dbraw/zinc/12/72/71/1333127271.db2.gz RSFOKVMMOXJWDX-SJLPKXTDSA-N 2 2 348.535 3.332 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000950961934 1334161125 /nfs/dbraw/zinc/16/11/25/1334161125.db2.gz HOLYXXPLQCXWAS-IEBWSBKVSA-N 2 2 340.471 3.130 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](Cc2c[nH]c3cc(F)c(Br)cc23)CC1 ZINC001205124217 1370657838 /nfs/dbraw/zinc/65/78/38/1370657838.db2.gz LQISEKZGWNARRL-NSHDSACASA-N 2 2 340.240 3.383 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001006066253 1336445772 /nfs/dbraw/zinc/44/57/72/1336445772.db2.gz PSESYHTWCXCNMQ-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001006292360 1336484529 /nfs/dbraw/zinc/48/45/29/1336484529.db2.gz NERGVFFQPHIRJN-UHFFFAOYSA-N 2 2 334.508 3.046 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC001014914205 1337950238 /nfs/dbraw/zinc/95/02/38/1337950238.db2.gz FPSNNHALZICLDD-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC001014914205 1337950239 /nfs/dbraw/zinc/95/02/39/1337950239.db2.gz FPSNNHALZICLDD-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC23CC[NH+](CC2CCC2)CC3)c(C)[nH+]1 ZINC001016742441 1338708946 /nfs/dbraw/zinc/70/89/46/1338708946.db2.gz KCTBTYBSYQRFQC-GOSISDBHSA-N 2 2 341.499 3.391 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC23CC[NH+](CC[C@H](C)F)CC3)c(C)[nH+]1 ZINC001016742575 1338709416 /nfs/dbraw/zinc/70/94/16/1338709416.db2.gz LUGZLAFKVGTXJG-YOEHRIQHSA-N 2 2 347.478 3.339 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+](CCC(C)(C)C)C3)ccn12 ZINC001028539287 1340694408 /nfs/dbraw/zinc/69/44/08/1340694408.db2.gz SDEAZGRQMHGWKZ-MRXNPFEDSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+](CCC(C)(C)C)C3)ccn12 ZINC001028539287 1340694410 /nfs/dbraw/zinc/69/44/10/1340694410.db2.gz SDEAZGRQMHGWKZ-MRXNPFEDSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001028632281 1340734332 /nfs/dbraw/zinc/73/43/32/1340734332.db2.gz FTSGUWKQOMCYNN-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001028632281 1340734333 /nfs/dbraw/zinc/73/43/33/1340734333.db2.gz FTSGUWKQOMCYNN-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP CC1(C)CC(C[N@@H+]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001028632585 1340734955 /nfs/dbraw/zinc/73/49/55/1340734955.db2.gz NBIKBNDIXSVPNN-CQSZACIVSA-N 2 2 340.471 3.051 20 0 EGADLP CC1(C)CC(C[N@H+]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001028632585 1340734956 /nfs/dbraw/zinc/73/49/56/1340734956.db2.gz NBIKBNDIXSVPNN-CQSZACIVSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632736 1340735463 /nfs/dbraw/zinc/73/54/63/1340735463.db2.gz QWOCYEIHWCIGHH-MRXNPFEDSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632736 1340735468 /nfs/dbraw/zinc/73/54/68/1340735468.db2.gz QWOCYEIHWCIGHH-MRXNPFEDSA-N 2 2 348.450 3.123 20 0 EGADLP C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001029961100 1341136095 /nfs/dbraw/zinc/13/60/95/1341136095.db2.gz WVADZVOLPFMXCR-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001029961100 1341136097 /nfs/dbraw/zinc/13/60/97/1341136097.db2.gz WVADZVOLPFMXCR-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030301881 1341176812 /nfs/dbraw/zinc/17/68/12/1341176812.db2.gz RTTWNDGMZSSEGI-XLIONFOSSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030301881 1341176813 /nfs/dbraw/zinc/17/68/13/1341176813.db2.gz RTTWNDGMZSSEGI-XLIONFOSSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001030301882 1341176827 /nfs/dbraw/zinc/17/68/27/1341176827.db2.gz RTTWNDGMZSSEGI-YLJYHZDGSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001030301882 1341176828 /nfs/dbraw/zinc/17/68/28/1341176828.db2.gz RTTWNDGMZSSEGI-YLJYHZDGSA-N 2 2 343.515 3.038 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)n1cc[nH+]c1 ZINC001032657168 1341572480 /nfs/dbraw/zinc/57/24/80/1341572480.db2.gz ZUOXCMMEPAUXSL-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1)n1cc[nH+]c1 ZINC001032657168 1341572481 /nfs/dbraw/zinc/57/24/81/1341572481.db2.gz ZUOXCMMEPAUXSL-NEWSRXKRSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839730 1341631099 /nfs/dbraw/zinc/63/10/99/1341631099.db2.gz HIBNPAOYNQAWOA-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839730 1341631100 /nfs/dbraw/zinc/63/11/00/1341631100.db2.gz HIBNPAOYNQAWOA-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839730 1341631101 /nfs/dbraw/zinc/63/11/01/1341631101.db2.gz HIBNPAOYNQAWOA-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839730 1341631102 /nfs/dbraw/zinc/63/11/02/1341631102.db2.gz HIBNPAOYNQAWOA-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192895 1341749317 /nfs/dbraw/zinc/74/93/17/1341749317.db2.gz YWYNXGQWCVHSRQ-MAUKXSAKSA-N 2 2 348.450 3.470 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192895 1341749318 /nfs/dbraw/zinc/74/93/18/1341749318.db2.gz YWYNXGQWCVHSRQ-MAUKXSAKSA-N 2 2 348.450 3.470 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033592394 1341887773 /nfs/dbraw/zinc/88/77/73/1341887773.db2.gz ZFAMVRWZVXOPIV-QGZVFWFLSA-N 2 2 344.503 3.111 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033592394 1341887777 /nfs/dbraw/zinc/88/77/77/1341887777.db2.gz ZFAMVRWZVXOPIV-QGZVFWFLSA-N 2 2 344.503 3.111 20 0 EGADLP CC1CC(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001034271457 1342362185 /nfs/dbraw/zinc/36/21/85/1342362185.db2.gz MPZUHWVDFPCHPC-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@H+]2CCCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001034271457 1342362186 /nfs/dbraw/zinc/36/21/86/1342362186.db2.gz MPZUHWVDFPCHPC-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549650 1342612977 /nfs/dbraw/zinc/61/29/77/1342612977.db2.gz MIEXJPPNTFQFJT-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549650 1342612983 /nfs/dbraw/zinc/61/29/83/1342612983.db2.gz MIEXJPPNTFQFJT-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001034671500 1342682240 /nfs/dbraw/zinc/68/22/40/1342682240.db2.gz PAAWAKPLXIJJIX-IYARVYRRSA-N 2 2 348.450 3.394 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001035250063 1343074051 /nfs/dbraw/zinc/07/40/51/1343074051.db2.gz HPXXDVHYEQRVGE-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC001035250063 1343074053 /nfs/dbraw/zinc/07/40/53/1343074053.db2.gz HPXXDVHYEQRVGE-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001036128963 1343319914 /nfs/dbraw/zinc/31/99/14/1343319914.db2.gz ZMOHCZUCZGUARV-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036261764 1343383761 /nfs/dbraw/zinc/38/37/61/1343383761.db2.gz DRGHDUYWKWRJRL-RDJZCZTQSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001036414473 1343472649 /nfs/dbraw/zinc/47/26/49/1343472649.db2.gz OPESAKOIZRSYBQ-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001036414473 1343472651 /nfs/dbraw/zinc/47/26/51/1343472651.db2.gz OPESAKOIZRSYBQ-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001036454573 1343496208 /nfs/dbraw/zinc/49/62/08/1343496208.db2.gz DAPCRCMXNZSHKS-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037885951 1344161383 /nfs/dbraw/zinc/16/13/83/1344161383.db2.gz DCXSBBPTALZEMT-MSOLQXFVSA-N 2 2 329.488 3.247 20 0 EGADLP CCc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001038416828 1344419172 /nfs/dbraw/zinc/41/91/72/1344419172.db2.gz PQWNQQXYOFQYKT-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001038416828 1344419174 /nfs/dbraw/zinc/41/91/74/1344419174.db2.gz PQWNQQXYOFQYKT-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556408 1344483062 /nfs/dbraw/zinc/48/30/62/1344483062.db2.gz FWJGGSNMECVCBH-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001038556408 1344483064 /nfs/dbraw/zinc/48/30/64/1344483064.db2.gz FWJGGSNMECVCBH-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001038910559 1344647097 /nfs/dbraw/zinc/64/70/97/1344647097.db2.gz WFOGSTKCGZZKGV-ZWKOTPCHSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001038910559 1344647100 /nfs/dbraw/zinc/64/71/00/1344647100.db2.gz WFOGSTKCGZZKGV-ZWKOTPCHSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001038910559 1344647102 /nfs/dbraw/zinc/64/71/02/1344647102.db2.gz WFOGSTKCGZZKGV-ZWKOTPCHSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001038910559 1344647105 /nfs/dbraw/zinc/64/71/05/1344647105.db2.gz WFOGSTKCGZZKGV-ZWKOTPCHSA-N 2 2 349.544 3.093 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718012 1345829759 /nfs/dbraw/zinc/82/97/59/1345829759.db2.gz WKPHYLZVPCHBQE-FXAWDEMLSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718012 1345829763 /nfs/dbraw/zinc/82/97/63/1345829763.db2.gz WKPHYLZVPCHBQE-FXAWDEMLSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](c1cccc2ccccc21)[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043976930 1346226546 /nfs/dbraw/zinc/22/65/46/1346226546.db2.gz HJFRWPLTZKLOEV-HNNXBMFYSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001044004158 1346232264 /nfs/dbraw/zinc/23/22/64/1346232264.db2.gz CEJDQRVJOCZJDI-MSOLQXFVSA-N 2 2 343.515 3.155 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878671 1346453153 /nfs/dbraw/zinc/45/31/53/1346453153.db2.gz MSEJQLWDAARLPU-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001045289892 1346551003 /nfs/dbraw/zinc/55/10/03/1346551003.db2.gz ARBVDEJZHFDRRK-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045968766 1346803775 /nfs/dbraw/zinc/80/37/75/1346803775.db2.gz GVUKDQJYWYOQNK-QUCCMNQESA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045968766 1346803777 /nfs/dbraw/zinc/80/37/77/1346803777.db2.gz GVUKDQJYWYOQNK-QUCCMNQESA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001048294759 1347511612 /nfs/dbraw/zinc/51/16/12/1347511612.db2.gz CUNMHJIVQKICPA-CRAIPNDOSA-N 2 2 348.450 3.061 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCC(C)C)c[nH+]1 ZINC001049544646 1347900284 /nfs/dbraw/zinc/90/02/84/1347900284.db2.gz FFKJNQGYQAPMDE-ZWKOTPCHSA-N 2 2 346.519 3.038 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC(C)C)c[nH+]1 ZINC001049544646 1347900285 /nfs/dbraw/zinc/90/02/85/1347900285.db2.gz FFKJNQGYQAPMDE-ZWKOTPCHSA-N 2 2 346.519 3.038 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553217 1347905560 /nfs/dbraw/zinc/90/55/60/1347905560.db2.gz UDTSOVVJRFTQSE-QZTJIDSGSA-N 2 2 326.444 3.042 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553217 1347905561 /nfs/dbraw/zinc/90/55/61/1347905561.db2.gz UDTSOVVJRFTQSE-QZTJIDSGSA-N 2 2 326.444 3.042 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759965 1348004907 /nfs/dbraw/zinc/00/49/07/1348004907.db2.gz VCQOAZRNZGGQMN-SQNIBIBYSA-N 2 2 346.519 3.336 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759965 1348004910 /nfs/dbraw/zinc/00/49/10/1348004910.db2.gz VCQOAZRNZGGQMN-SQNIBIBYSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845400 1348055234 /nfs/dbraw/zinc/05/52/34/1348055234.db2.gz ADPZXNUBGOVVBM-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049845400 1348055235 /nfs/dbraw/zinc/05/52/35/1348055235.db2.gz ADPZXNUBGOVVBM-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001050382235 1348245028 /nfs/dbraw/zinc/24/50/28/1348245028.db2.gz BNUOHLPEPADWDT-SAABIXHNSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@@H+](CCC(C)C)CC3)ccn12 ZINC001052378506 1348535749 /nfs/dbraw/zinc/53/57/49/1348535749.db2.gz IMYJPACXRRBDST-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@H+](CCC(C)C)CC3)ccn12 ZINC001052378506 1348535751 /nfs/dbraw/zinc/53/57/51/1348535751.db2.gz IMYJPACXRRBDST-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052681 1348858364 /nfs/dbraw/zinc/85/83/64/1348858364.db2.gz WODHQMQJJDUDKH-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052681 1348858370 /nfs/dbraw/zinc/85/83/70/1348858370.db2.gz WODHQMQJJDUDKH-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104053 1348938443 /nfs/dbraw/zinc/93/84/43/1348938443.db2.gz MWGNAZVXWPSZJU-QZTJIDSGSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104053 1348938445 /nfs/dbraw/zinc/93/84/45/1348938445.db2.gz MWGNAZVXWPSZJU-QZTJIDSGSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054719941 1349446439 /nfs/dbraw/zinc/44/64/39/1349446439.db2.gz KCNZCCUWZWKCKK-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054719941 1349446441 /nfs/dbraw/zinc/44/64/41/1349446441.db2.gz KCNZCCUWZWKCKK-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510726 1354734953 /nfs/dbraw/zinc/73/49/53/1354734953.db2.gz FMXDUZKOWODUSO-YOEHRIQHSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071510726 1354734958 /nfs/dbraw/zinc/73/49/58/1354734958.db2.gz FMXDUZKOWODUSO-YOEHRIQHSA-N 2 2 328.460 3.026 20 0 EGADLP CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711633 1354870615 /nfs/dbraw/zinc/87/06/15/1354870615.db2.gz BDKODVILTZGUOQ-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711633 1354870620 /nfs/dbraw/zinc/87/06/20/1354870620.db2.gz BDKODVILTZGUOQ-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074086952 1356075120 /nfs/dbraw/zinc/07/51/20/1356075120.db2.gz PXUMTCCLFAURFK-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074086952 1356075125 /nfs/dbraw/zinc/07/51/25/1356075125.db2.gz PXUMTCCLFAURFK-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001183496192 1387313211 /nfs/dbraw/zinc/31/32/11/1387313211.db2.gz IVEFXLLGOZBRRH-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001183497250 1387313807 /nfs/dbraw/zinc/31/38/07/1387313807.db2.gz UBFPLOAVABLDHL-SJORKVTESA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452499 1358216379 /nfs/dbraw/zinc/21/63/79/1358216379.db2.gz HVACRDOMDUWZCJ-RDTXWAMCSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452499 1358216383 /nfs/dbraw/zinc/21/63/83/1358216383.db2.gz HVACRDOMDUWZCJ-RDTXWAMCSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673434 1358676919 /nfs/dbraw/zinc/67/69/19/1358676919.db2.gz XMLCNKANGCJNBM-QAPCUYQASA-N 2 2 348.450 3.470 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673434 1358676927 /nfs/dbraw/zinc/67/69/27/1358676927.db2.gz XMLCNKANGCJNBM-QAPCUYQASA-N 2 2 348.450 3.470 20 0 EGADLP CC(=O)c1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(F)c1 ZINC001323506675 1387379006 /nfs/dbraw/zinc/37/90/06/1387379006.db2.gz BWWFXRCDGJDORE-UHFFFAOYSA-N 2 2 338.342 3.170 20 0 EGADLP C[C@@H](CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001088391914 1359868889 /nfs/dbraw/zinc/86/88/89/1359868889.db2.gz XQCTYEPSXKXMMJ-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP CCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088407791 1359878704 /nfs/dbraw/zinc/87/87/04/1359878704.db2.gz FJRZZAPGXYITSM-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001323684809 1387422535 /nfs/dbraw/zinc/42/25/35/1387422535.db2.gz REGBYVVUTBXRIP-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001323684809 1387422536 /nfs/dbraw/zinc/42/25/36/1387422536.db2.gz REGBYVVUTBXRIP-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001323684809 1387422538 /nfs/dbraw/zinc/42/25/38/1387422538.db2.gz REGBYVVUTBXRIP-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001323684809 1387422540 /nfs/dbraw/zinc/42/25/40/1387422540.db2.gz REGBYVVUTBXRIP-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088419197 1359889311 /nfs/dbraw/zinc/88/93/11/1359889311.db2.gz JZDXXWMTSVBYKP-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089169569 1360224457 /nfs/dbraw/zinc/22/44/57/1360224457.db2.gz YDRIWLVNSGSUQF-SFHVURJKSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001089169569 1360224460 /nfs/dbraw/zinc/22/44/60/1360224460.db2.gz YDRIWLVNSGSUQF-SFHVURJKSA-N 2 2 344.503 3.156 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486895 1360466814 /nfs/dbraw/zinc/46/68/14/1360466814.db2.gz DJNRLRKNCVVEPW-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486895 1360466817 /nfs/dbraw/zinc/46/68/17/1360466817.db2.gz DJNRLRKNCVVEPW-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486864 1360467119 /nfs/dbraw/zinc/46/71/19/1360467119.db2.gz DJNRLRKNCVVEPW-CVEARBPZSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486864 1360467121 /nfs/dbraw/zinc/46/71/21/1360467121.db2.gz DJNRLRKNCVVEPW-CVEARBPZSA-N 2 2 346.519 3.237 20 0 EGADLP Cc1ccccc1C[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001091098459 1360992061 /nfs/dbraw/zinc/99/20/61/1360992061.db2.gz SMHJMDGBISQHNG-UHFFFAOYSA-N 2 2 348.450 3.170 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252026 1363715344 /nfs/dbraw/zinc/71/53/44/1363715344.db2.gz QKNBZXIQCHQCKL-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252026 1363715346 /nfs/dbraw/zinc/71/53/46/1363715346.db2.gz QKNBZXIQCHQCKL-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[N@H+](CCCC2CCC2)C1 ZINC001099360552 1363773027 /nfs/dbraw/zinc/77/30/27/1363773027.db2.gz YPNLUJJHYOYENC-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CCCC2CCC2)C1 ZINC001099360552 1363773029 /nfs/dbraw/zinc/77/30/29/1363773029.db2.gz YPNLUJJHYOYENC-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500694 1364137066 /nfs/dbraw/zinc/13/70/66/1364137066.db2.gz WRSCUWKIZCURBR-GTPINHCMSA-N 2 2 342.487 3.115 20 0 EGADLP CC(C)(C[NH2+]CCF)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001101550474 1364613352 /nfs/dbraw/zinc/61/33/52/1364613352.db2.gz KMTHYTMHARQSPF-UHFFFAOYSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001102414798 1365045488 /nfs/dbraw/zinc/04/54/88/1365045488.db2.gz ONQHYTVLBDQNCG-KZNAEPCWSA-N 2 2 348.535 3.345 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001102414798 1365045490 /nfs/dbraw/zinc/04/54/90/1365045490.db2.gz ONQHYTVLBDQNCG-KZNAEPCWSA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738014 1366151129 /nfs/dbraw/zinc/15/11/29/1366151129.db2.gz BILVOOOWPGKSCN-BQWVTDQKSA-N 2 2 346.519 3.265 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544217 1366521090 /nfs/dbraw/zinc/52/10/90/1366521090.db2.gz DLEYOOOHCNFWDE-NUJGCVRESA-N 2 2 344.503 3.064 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544217 1366521091 /nfs/dbraw/zinc/52/10/91/1366521091.db2.gz DLEYOOOHCNFWDE-NUJGCVRESA-N 2 2 344.503 3.064 20 0 EGADLP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324937432 1387835144 /nfs/dbraw/zinc/83/51/44/1387835144.db2.gz XEDWWKXLOCCWSU-FQEVSTJZSA-N 2 2 342.487 3.275 20 0 EGADLP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324937432 1387835150 /nfs/dbraw/zinc/83/51/50/1387835150.db2.gz XEDWWKXLOCCWSU-FQEVSTJZSA-N 2 2 342.487 3.275 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCC(C)C)CC2 ZINC001107621406 1367078020 /nfs/dbraw/zinc/07/80/20/1367078020.db2.gz OEOHOSPEAKJFGC-UYAOXDASSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC(C)C)CC2 ZINC001107621406 1367078026 /nfs/dbraw/zinc/07/80/26/1367078026.db2.gz OEOHOSPEAKJFGC-UYAOXDASSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)CN(C(=O)c1ccccc1-n1cc[nH+]c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001190112102 1367175667 /nfs/dbraw/zinc/17/56/67/1367175667.db2.gz CYHUHIGKVRHSLC-QAQDUYKDSA-N 2 2 340.471 3.240 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108727045 1367560775 /nfs/dbraw/zinc/56/07/75/1367560775.db2.gz HCOUFRXSKHCVCD-BBWFWOEESA-N 2 2 340.471 3.107 20 0 EGADLP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217511 1367968210 /nfs/dbraw/zinc/96/82/10/1367968210.db2.gz HHPSHMKSKPWDOI-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217511 1367968212 /nfs/dbraw/zinc/96/82/12/1367968212.db2.gz HHPSHMKSKPWDOI-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462871 1368036390 /nfs/dbraw/zinc/03/63/90/1368036390.db2.gz QKJPPTKQTHEREF-HNNXBMFYSA-N 2 2 334.508 3.046 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462871 1368036395 /nfs/dbraw/zinc/03/63/95/1368036395.db2.gz QKJPPTKQTHEREF-HNNXBMFYSA-N 2 2 334.508 3.046 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128027 1368162530 /nfs/dbraw/zinc/16/25/30/1368162530.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128027 1368162534 /nfs/dbraw/zinc/16/25/34/1368162534.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128027 1368162540 /nfs/dbraw/zinc/16/25/40/1368162540.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128027 1368162543 /nfs/dbraw/zinc/16/25/43/1368162543.db2.gz RNYKREOFKAEUKS-DDBAPUKQSA-N 2 2 346.519 3.136 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449913 1368264419 /nfs/dbraw/zinc/26/44/19/1368264419.db2.gz ZFOKBZKCTYQBDF-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449913 1368264422 /nfs/dbraw/zinc/26/44/22/1368264422.db2.gz ZFOKBZKCTYQBDF-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496850 1368321230 /nfs/dbraw/zinc/32/12/30/1368321230.db2.gz HZHKVRFGMHNPGO-MKXGPGLRSA-N 2 2 346.519 3.067 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496850 1368321234 /nfs/dbraw/zinc/32/12/34/1368321234.db2.gz HZHKVRFGMHNPGO-MKXGPGLRSA-N 2 2 346.519 3.067 20 0 EGADLP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496772 1368321488 /nfs/dbraw/zinc/32/14/88/1368321488.db2.gz CIIDIWSZYZAIPC-KURKYZTESA-N 2 2 346.519 3.211 20 0 EGADLP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001111496772 1368321493 /nfs/dbraw/zinc/32/14/93/1368321493.db2.gz CIIDIWSZYZAIPC-KURKYZTESA-N 2 2 346.519 3.211 20 0 EGADLP CCC(CC)C[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243160 1368574362 /nfs/dbraw/zinc/57/43/62/1368574362.db2.gz WRWJASNZCOFLQH-LJQANCHMSA-N 2 2 348.535 3.441 20 0 EGADLP CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243160 1368574366 /nfs/dbraw/zinc/57/43/66/1368574366.db2.gz WRWJASNZCOFLQH-LJQANCHMSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125869 1368749488 /nfs/dbraw/zinc/74/94/88/1368749488.db2.gz NIYJKQUELUFHRQ-MRXNPFEDSA-N 2 2 346.519 3.190 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125869 1368749489 /nfs/dbraw/zinc/74/94/89/1368749489.db2.gz NIYJKQUELUFHRQ-MRXNPFEDSA-N 2 2 346.519 3.190 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125856 1368749827 /nfs/dbraw/zinc/74/98/27/1368749827.db2.gz NATJSJVPZKEOHA-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125856 1368749832 /nfs/dbraw/zinc/74/98/32/1368749832.db2.gz NATJSJVPZKEOHA-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP COC(=O)c1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC001197263843 1368775143 /nfs/dbraw/zinc/77/51/43/1368775143.db2.gz DBWIOJSOSKUCSP-MRXNPFEDSA-N 2 2 341.436 3.262 20 0 EGADLP C[C@@H]1CCCCN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)C1 ZINC001198018432 1368943762 /nfs/dbraw/zinc/94/37/62/1368943762.db2.gz QLISYKJPQOLMHR-GOSISDBHSA-N 2 2 345.531 3.332 20 0 EGADLP C[C@@H]1CCCCN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)C1 ZINC001198018432 1368943764 /nfs/dbraw/zinc/94/37/64/1368943764.db2.gz QLISYKJPQOLMHR-GOSISDBHSA-N 2 2 345.531 3.332 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001112853772 1369048075 /nfs/dbraw/zinc/04/80/75/1369048075.db2.gz LMBPFZVDAQWKNF-WAYWQWQTSA-N 2 2 340.471 3.147 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186748006 1388004032 /nfs/dbraw/zinc/00/40/32/1388004032.db2.gz PTDONVSBZHJSKD-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684105 1369563743 /nfs/dbraw/zinc/56/37/43/1369563743.db2.gz OHYMVAALQHWBRO-IBGZPJMESA-N 2 2 331.504 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201666194 1369601392 /nfs/dbraw/zinc/60/13/92/1369601392.db2.gz MTDUNJFQMUIYHQ-UHFFFAOYSA-N 3 2 348.454 3.071 20 0 EGADLP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446370 1369773566 /nfs/dbraw/zinc/77/35/66/1369773566.db2.gz AZXDLWAZJUDLOQ-VGOKWCNXSA-N 2 2 344.503 3.157 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446892 1369774648 /nfs/dbraw/zinc/77/46/48/1369774648.db2.gz GNVSRCHJJSJMQG-NVXWUHKLSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001202699722 1369856400 /nfs/dbraw/zinc/85/64/00/1369856400.db2.gz PVRBJKNFMNJYKV-KRWDZBQOSA-N 2 2 334.504 3.312 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203076899 1369974791 /nfs/dbraw/zinc/97/47/91/1369974791.db2.gz ANANCONBRCBUII-MSOLQXFVSA-N 2 2 340.471 3.384 20 0 EGADLP CCc1[nH]c(CN2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(C)[nH+]1 ZINC001203238162 1370035590 /nfs/dbraw/zinc/03/55/90/1370035590.db2.gz KWOZCADJKGPUGT-OALUTQOASA-N 2 2 338.499 3.153 20 0 EGADLP CC[NH+](CC)CCn1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001203260457 1370047412 /nfs/dbraw/zinc/04/74/12/1370047412.db2.gz VGQPAIUYJJJLJI-UHFFFAOYSA-N 2 2 338.459 3.213 20 0 EGADLP Fc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001203354873 1370095950 /nfs/dbraw/zinc/09/59/50/1370095950.db2.gz QYOCKFRFEDSFLJ-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP Fc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001203354873 1370095955 /nfs/dbraw/zinc/09/59/55/1370095955.db2.gz QYOCKFRFEDSFLJ-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001203537218 1370159937 /nfs/dbraw/zinc/15/99/37/1370159937.db2.gz SRCTWXZZTVZECR-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001203537215 1370160276 /nfs/dbraw/zinc/16/02/76/1370160276.db2.gz SRCTWXZZTVZECR-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001203537215 1370160279 /nfs/dbraw/zinc/16/02/79/1370160279.db2.gz SRCTWXZZTVZECR-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001203537215 1370160280 /nfs/dbraw/zinc/16/02/80/1370160280.db2.gz SRCTWXZZTVZECR-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001203537215 1370160281 /nfs/dbraw/zinc/16/02/81/1370160281.db2.gz SRCTWXZZTVZECR-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203814558 1370274402 /nfs/dbraw/zinc/27/44/02/1370274402.db2.gz KUCGEZSOKXUXST-MSOLQXFVSA-N 2 2 346.519 3.117 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccnc5ccccc45)C[C@H]3C2)nc1 ZINC001204084751 1370372067 /nfs/dbraw/zinc/37/20/67/1370372067.db2.gz MQNMDKBSFAQICZ-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccnc5ccccc45)C[C@H]3C2)nc1 ZINC001204084751 1370372073 /nfs/dbraw/zinc/37/20/73/1370372073.db2.gz MQNMDKBSFAQICZ-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccnc5ccccc45)C[C@H]3C2)nc1 ZINC001204084751 1370372074 /nfs/dbraw/zinc/37/20/74/1370372074.db2.gz MQNMDKBSFAQICZ-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccnc5ccccc45)C[C@H]3C2)nc1 ZINC001204084751 1370372082 /nfs/dbraw/zinc/37/20/82/1370372082.db2.gz MQNMDKBSFAQICZ-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cn(C(C)=O)c4ccccc34)C[C@@H]2C1 ZINC001204412468 1370470278 /nfs/dbraw/zinc/47/02/78/1370470278.db2.gz NATBROLKXRKPCG-IRXDYDNUSA-N 2 2 325.456 3.075 20 0 EGADLP CC[N@H+](Cc1c(C)nn(-c2ccccc2)c1C)C1CC[NH+](C)CC1 ZINC001204454829 1370481040 /nfs/dbraw/zinc/48/10/40/1370481040.db2.gz FMTVATKMANULJI-UHFFFAOYSA-N 2 2 326.488 3.405 20 0 EGADLP CC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1C)C1CC[NH+](C)CC1 ZINC001204454829 1370481044 /nfs/dbraw/zinc/48/10/44/1370481044.db2.gz FMTVATKMANULJI-UHFFFAOYSA-N 2 2 326.488 3.405 20 0 EGADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC001204561866 1370516476 /nfs/dbraw/zinc/51/64/76/1370516476.db2.gz WWEMMESZOPJVOF-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC001204561866 1370516479 /nfs/dbraw/zinc/51/64/79/1370516479.db2.gz WWEMMESZOPJVOF-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC001204561866 1370516482 /nfs/dbraw/zinc/51/64/82/1370516482.db2.gz WWEMMESZOPJVOF-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC001204561866 1370516483 /nfs/dbraw/zinc/51/64/83/1370516483.db2.gz WWEMMESZOPJVOF-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1Cl ZINC001204567265 1370517781 /nfs/dbraw/zinc/51/77/81/1370517781.db2.gz QTKKGADXWCHAPR-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP C[NH+](C)Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1 ZINC001204654371 1370537480 /nfs/dbraw/zinc/53/74/80/1370537480.db2.gz MBQMONRBQJRTTN-UHFFFAOYSA-N 2 2 328.431 3.387 20 0 EGADLP CN1CC[NH+](C2(c3ccc(Nc4c[nH+]c5ccccn45)cc3)CC2)CC1 ZINC001205096382 1370648278 /nfs/dbraw/zinc/64/82/78/1370648278.db2.gz FWODZBWOZHDMSW-UHFFFAOYSA-N 2 2 347.466 3.314 20 0 EGADLP C[NH+]1CCN(C2(c3ccc(Nc4c[nH+]c5ccccn45)cc3)CC2)CC1 ZINC001205096382 1370648285 /nfs/dbraw/zinc/64/82/85/1370648285.db2.gz FWODZBWOZHDMSW-UHFFFAOYSA-N 2 2 347.466 3.314 20 0 EGADLP COc1cc[nH+]c(Nc2ccc(C3([NH+]4CCN(C)CC4)CC3)cc2)c1 ZINC001205092285 1370648806 /nfs/dbraw/zinc/64/88/06/1370648806.db2.gz UCIOGZBUMBGXMY-UHFFFAOYSA-N 2 2 338.455 3.070 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](Cc2c[nH]c3cc(F)c(Br)cc23)CC1 ZINC001205124217 1370657837 /nfs/dbraw/zinc/65/78/37/1370657837.db2.gz LQISEKZGWNARRL-NSHDSACASA-N 2 2 340.240 3.383 20 0 EGADLP CCOC(=[NH2+])c1cccc(-c2ccc(OCCC[NH+](C)C)nc2)c1 ZINC001205239107 1370691044 /nfs/dbraw/zinc/69/10/44/1370691044.db2.gz ANAPBVBVJMYSPV-UHFFFAOYSA-N 2 2 327.428 3.441 20 0 EGADLP CC1(C)[NH2+][C@@H](CC[N@H+](Cc2ccccc2)Cc2ccncc2)CO1 ZINC001205536826 1370784003 /nfs/dbraw/zinc/78/40/03/1370784003.db2.gz BBRZPTLBFIUQEF-IBGZPJMESA-N 2 2 325.456 3.198 20 0 EGADLP CC1(C)[NH2+][C@@H](CC[N@@H+](Cc2ccccc2)Cc2ccncc2)CO1 ZINC001205536826 1370784012 /nfs/dbraw/zinc/78/40/12/1370784012.db2.gz BBRZPTLBFIUQEF-IBGZPJMESA-N 2 2 325.456 3.198 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC001116066312 1370830392 /nfs/dbraw/zinc/83/03/92/1370830392.db2.gz CDGZZWBFOWSNLJ-CXAGYDPISA-N 2 2 328.416 3.110 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679737 1370840764 /nfs/dbraw/zinc/84/07/64/1370840764.db2.gz NVYDPLDTQONYMO-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccc(F)cc3)s2)CCC1(F)F ZINC001205771212 1370865058 /nfs/dbraw/zinc/86/50/58/1370865058.db2.gz RZNQZKCDXKJXAH-LBPRGKRZSA-N 2 2 341.402 3.365 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CCC1(F)F ZINC001205771212 1370865063 /nfs/dbraw/zinc/86/50/63/1370865063.db2.gz RZNQZKCDXKJXAH-LBPRGKRZSA-N 2 2 341.402 3.365 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CCC1(F)F ZINC001205772130 1370865577 /nfs/dbraw/zinc/86/55/77/1370865577.db2.gz XVHXXIGGOXFNNR-LBPRGKRZSA-N 2 2 341.402 3.365 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CCC1(F)F ZINC001205772130 1370865582 /nfs/dbraw/zinc/86/55/82/1370865582.db2.gz XVHXXIGGOXFNNR-LBPRGKRZSA-N 2 2 341.402 3.365 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1F ZINC001205913011 1370908538 /nfs/dbraw/zinc/90/85/38/1370908538.db2.gz GBSDBWQAMAZDNF-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1F ZINC001205913011 1370908541 /nfs/dbraw/zinc/90/85/41/1370908541.db2.gz GBSDBWQAMAZDNF-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2Sc2ccc(Cl)cc2)C[C@H]1O ZINC001205959384 1370923006 /nfs/dbraw/zinc/92/30/06/1370923006.db2.gz PCOHSZXANMBPJM-IAGOWNOFSA-N 2 2 348.899 3.385 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2Sc2ccc(Cl)cc2)C[C@H]1O ZINC001205959384 1370923007 /nfs/dbraw/zinc/92/30/07/1370923007.db2.gz PCOHSZXANMBPJM-IAGOWNOFSA-N 2 2 348.899 3.385 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(OC(F)(F)F)c1 ZINC001206632365 1371114726 /nfs/dbraw/zinc/11/47/26/1371114726.db2.gz JWERPBBFDKMHEQ-LBPRGKRZSA-N 2 2 332.366 3.155 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(OC(F)(F)F)c1 ZINC001206632365 1371114731 /nfs/dbraw/zinc/11/47/31/1371114731.db2.gz JWERPBBFDKMHEQ-LBPRGKRZSA-N 2 2 332.366 3.155 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206633527 1371115297 /nfs/dbraw/zinc/11/52/97/1371115297.db2.gz XLJCOVGIOGXTNG-CYBMUJFWSA-N 2 2 338.546 3.457 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206633527 1371115299 /nfs/dbraw/zinc/11/52/99/1371115299.db2.gz XLJCOVGIOGXTNG-CYBMUJFWSA-N 2 2 338.546 3.457 20 0 EGADLP C[N@@H+]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc2C1 ZINC001206739650 1371150534 /nfs/dbraw/zinc/15/05/34/1371150534.db2.gz DGAXLOKYPSQMFE-UHFFFAOYSA-N 2 2 340.442 3.313 20 0 EGADLP C[N@H+]1CCc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc2C1 ZINC001206739650 1371150537 /nfs/dbraw/zinc/15/05/37/1371150537.db2.gz DGAXLOKYPSQMFE-UHFFFAOYSA-N 2 2 340.442 3.313 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770988 1371159939 /nfs/dbraw/zinc/15/99/39/1371159939.db2.gz VLQMWROJPYPBSR-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206770988 1371159944 /nfs/dbraw/zinc/15/99/44/1371159944.db2.gz VLQMWROJPYPBSR-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206769033 1371158625 /nfs/dbraw/zinc/15/86/25/1371158625.db2.gz MQOWIXHJQHFGKH-YPMHNXCESA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206769033 1371158626 /nfs/dbraw/zinc/15/86/26/1371158626.db2.gz MQOWIXHJQHFGKH-YPMHNXCESA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccccc2C)[NH+](C)C)c1 ZINC001118350679 1371166183 /nfs/dbraw/zinc/16/61/83/1371166183.db2.gz QBEGBGJXIFSJQR-GOSISDBHSA-N 2 2 326.444 3.243 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1OC ZINC001206810157 1371177048 /nfs/dbraw/zinc/17/70/48/1371177048.db2.gz NFNBCMMCWJGZIP-VXGBXAGGSA-N 2 2 346.393 3.282 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1OC ZINC001206810157 1371177051 /nfs/dbraw/zinc/17/70/51/1371177051.db2.gz NFNBCMMCWJGZIP-VXGBXAGGSA-N 2 2 346.393 3.282 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557061 1371198512 /nfs/dbraw/zinc/19/85/12/1371198512.db2.gz NADLVGLXHHSWJN-QGZVFWFLSA-N 2 2 345.462 3.097 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557061 1371198517 /nfs/dbraw/zinc/19/85/17/1371198517.db2.gz NADLVGLXHHSWJN-QGZVFWFLSA-N 2 2 345.462 3.097 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557061 1371198520 /nfs/dbraw/zinc/19/85/20/1371198520.db2.gz NADLVGLXHHSWJN-QGZVFWFLSA-N 2 2 345.462 3.097 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557061 1371198523 /nfs/dbraw/zinc/19/85/23/1371198523.db2.gz NADLVGLXHHSWJN-QGZVFWFLSA-N 2 2 345.462 3.097 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1[nH+]cc2ccccn21 ZINC001207055943 1371279898 /nfs/dbraw/zinc/27/98/98/1371279898.db2.gz KWNIKMKCIJDGOC-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1[nH+]cc2ccccn21 ZINC001207055943 1371279900 /nfs/dbraw/zinc/27/99/00/1371279900.db2.gz KWNIKMKCIJDGOC-QZTJIDSGSA-N 2 2 334.467 3.429 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cc2)[nH+]c1C ZINC001119316608 1371307747 /nfs/dbraw/zinc/30/77/47/1371307747.db2.gz QMKQHOCZFRXEIA-INIZCTEOSA-N 2 2 326.444 3.410 20 0 EGADLP COCC[N@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188067 1371323867 /nfs/dbraw/zinc/32/38/67/1371323867.db2.gz SKWBDJBLFNAYDB-VQIMIIECSA-N 2 2 336.907 3.486 20 0 EGADLP COCC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188067 1371323870 /nfs/dbraw/zinc/32/38/70/1371323870.db2.gz SKWBDJBLFNAYDB-VQIMIIECSA-N 2 2 336.907 3.486 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001207422695 1371390550 /nfs/dbraw/zinc/39/05/50/1371390550.db2.gz VQENQCAQFTWZAS-RTBURBONSA-N 2 2 341.886 3.341 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001207660028 1371467325 /nfs/dbraw/zinc/46/73/25/1371467325.db2.gz XSKJOTINUIIFDS-KZNAEPCWSA-N 2 2 348.535 3.343 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001207660028 1371467329 /nfs/dbraw/zinc/46/73/29/1371467329.db2.gz XSKJOTINUIIFDS-KZNAEPCWSA-N 2 2 348.535 3.343 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207660060 1371467629 /nfs/dbraw/zinc/46/76/29/1371467629.db2.gz ZPTJMWGGBYEULZ-BHIYHBOVSA-N 2 2 348.535 3.343 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207660060 1371467635 /nfs/dbraw/zinc/46/76/35/1371467635.db2.gz ZPTJMWGGBYEULZ-BHIYHBOVSA-N 2 2 348.535 3.343 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2F)CC1 ZINC001207745537 1371492801 /nfs/dbraw/zinc/49/28/01/1371492801.db2.gz OTQDBZNHUCKKKW-SFHVURJKSA-N 2 2 348.441 3.109 20 0 EGADLP CC(C)CC[C@@H](O)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001120581163 1371622689 /nfs/dbraw/zinc/62/26/89/1371622689.db2.gz HJKUQUNWLQYELL-UYAOXDASSA-N 2 2 348.531 3.273 20 0 EGADLP CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121272035 1371917572 /nfs/dbraw/zinc/91/75/72/1371917572.db2.gz SYCFJUUCOCGHBT-QAELIBMJSA-N 2 2 346.519 3.287 20 0 EGADLP Brc1ccc2c(C3C[NH+](C[C@H]4CCC=CO4)C3)[nH+]cn2c1 ZINC001208883843 1371930753 /nfs/dbraw/zinc/93/07/53/1371930753.db2.gz YZYGGLNQBPZUGG-CQSZACIVSA-N 2 2 348.244 3.189 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892352 1371935194 /nfs/dbraw/zinc/93/51/94/1371935194.db2.gz OXHVHWYRHMFXKA-JHJVBQTASA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892352 1371935199 /nfs/dbraw/zinc/93/51/99/1371935199.db2.gz OXHVHWYRHMFXKA-JHJVBQTASA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892352 1371935201 /nfs/dbraw/zinc/93/52/01/1371935201.db2.gz OXHVHWYRHMFXKA-JHJVBQTASA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892352 1371935205 /nfs/dbraw/zinc/93/52/05/1371935205.db2.gz OXHVHWYRHMFXKA-JHJVBQTASA-N 2 2 333.423 3.238 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC2(CC1)OCCO2 ZINC001209103793 1371998761 /nfs/dbraw/zinc/99/87/61/1371998761.db2.gz IOVQIXRKDAESKI-UHFFFAOYSA-N 2 2 341.455 3.237 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCC2(CC1)OCCO2 ZINC001209103793 1371998764 /nfs/dbraw/zinc/99/87/64/1371998764.db2.gz IOVQIXRKDAESKI-UHFFFAOYSA-N 2 2 341.455 3.237 20 0 EGADLP Nc1cc[nH+]cc1C[NH+]1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC001209732901 1372179212 /nfs/dbraw/zinc/17/92/12/1372179212.db2.gz MWSBNVQLFLFSGN-UHFFFAOYSA-N 2 2 344.462 3.483 20 0 EGADLP Cn1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c2cccnc21 ZINC001209752894 1372184700 /nfs/dbraw/zinc/18/47/00/1372184700.db2.gz MDWBVIPGVSARBQ-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c2cccnc21 ZINC001209752894 1372184703 /nfs/dbraw/zinc/18/47/03/1372184703.db2.gz MDWBVIPGVSARBQ-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP c1ccc(Nc2cc[nH+]c(N3CCCC3)c2)c(C[NH+]2CCOCC2)c1 ZINC001209927286 1372233129 /nfs/dbraw/zinc/23/31/29/1372233129.db2.gz RYTZJYGCEDKAQL-UHFFFAOYSA-N 2 2 338.455 3.258 20 0 EGADLP FC(F)(F)[C@H]1C[NH2+][C@H](c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C1 ZINC001211654699 1372597017 /nfs/dbraw/zinc/59/70/17/1372597017.db2.gz USFAULOITOVSTM-YPMHNXCESA-N 2 2 349.316 3.135 20 0 EGADLP OC1C[NH+](Cc2ccc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2)C1 ZINC001212669271 1372749300 /nfs/dbraw/zinc/74/93/00/1372749300.db2.gz OXEKTGSHJHPXCV-UHFFFAOYSA-N 2 2 337.467 3.203 20 0 EGADLP Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(N(C)C)[nH+]1 ZINC001216090515 1373261268 /nfs/dbraw/zinc/26/12/68/1373261268.db2.gz RVLKMFGFXUYELS-PBHICJAKSA-N 2 2 347.507 3.040 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)c1cccc(Cl)c1 ZINC001131270317 1373672506 /nfs/dbraw/zinc/67/25/06/1373672506.db2.gz HPVMUUYPGKNDAC-ZDUSSCGKSA-N 2 2 342.830 3.068 20 0 EGADLP CCc1cc(Oc2cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c2)ccc1Cl ZINC001219230513 1373694917 /nfs/dbraw/zinc/69/49/17/1373694917.db2.gz MTEWVSNUQXKWMX-KRWDZBQOSA-N 2 2 347.846 3.309 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC001132081924 1375136726 /nfs/dbraw/zinc/13/67/26/1375136726.db2.gz GKZIJPPRFLYONR-INIZCTEOSA-N 2 2 342.487 3.038 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090807 1375141122 /nfs/dbraw/zinc/14/11/22/1375141122.db2.gz MJYUBFWAKAMYRS-LPHOPBHVSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090807 1375141125 /nfs/dbraw/zinc/14/11/25/1375141125.db2.gz MJYUBFWAKAMYRS-LPHOPBHVSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090807 1375141128 /nfs/dbraw/zinc/14/11/28/1375141128.db2.gz MJYUBFWAKAMYRS-LPHOPBHVSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090807 1375141130 /nfs/dbraw/zinc/14/11/30/1375141130.db2.gz MJYUBFWAKAMYRS-LPHOPBHVSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1=CCCCC1 ZINC001132221464 1375219809 /nfs/dbraw/zinc/21/98/09/1375219809.db2.gz IMXHCLBYSNNGKJ-PKOBYXMFSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1=CCCCC1 ZINC001132221464 1375219812 /nfs/dbraw/zinc/21/98/12/1375219812.db2.gz IMXHCLBYSNNGKJ-PKOBYXMFSA-N 2 2 344.503 3.133 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226251639 1375227536 /nfs/dbraw/zinc/22/75/36/1375227536.db2.gz WGWFKKFDBMQCAS-QZTJIDSGSA-N 2 2 342.487 3.464 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]CCC(C)C)ccn12 ZINC001226259920 1375228692 /nfs/dbraw/zinc/22/86/92/1375228692.db2.gz UPRGIKUXNODOPE-QZTJIDSGSA-N 2 2 342.487 3.319 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1=CCCCC1 ZINC001132547022 1375454836 /nfs/dbraw/zinc/45/48/36/1375454836.db2.gz WBIAYGUNNDEDMI-IEBWSBKVSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1=CCCCC1 ZINC001132547022 1375454839 /nfs/dbraw/zinc/45/48/39/1375454839.db2.gz WBIAYGUNNDEDMI-IEBWSBKVSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+](CCC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001229385039 1375824443 /nfs/dbraw/zinc/82/44/43/1375824443.db2.gz OJLHQNBMBBMEHS-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](C/C=C\Cl)CC1)c1ccccc1 ZINC001230017114 1375931100 /nfs/dbraw/zinc/93/11/00/1375931100.db2.gz UHENKKUUXQJWFU-IKPBFSQCSA-N 2 2 349.906 3.013 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](C/C=C\Cl)CC1)c1ccccc1 ZINC001230017114 1375931123 /nfs/dbraw/zinc/93/11/23/1375931123.db2.gz UHENKKUUXQJWFU-IKPBFSQCSA-N 2 2 349.906 3.013 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133362979 1375945748 /nfs/dbraw/zinc/94/57/48/1375945748.db2.gz BINDSPYXIBWNDA-RTBURBONSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363213 1375946089 /nfs/dbraw/zinc/94/60/89/1375946089.db2.gz FRPNJIPACUNGMZ-WFRZBGSESA-N 2 2 346.519 3.094 20 0 EGADLP CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001133405692 1375990877 /nfs/dbraw/zinc/99/08/77/1375990877.db2.gz LNPPDOITKHRXCD-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230629441 1376108323 /nfs/dbraw/zinc/10/83/23/1376108323.db2.gz OPKBZBBUCPNTHG-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230629441 1376108328 /nfs/dbraw/zinc/10/83/28/1376108328.db2.gz OPKBZBBUCPNTHG-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232003796 1376378936 /nfs/dbraw/zinc/37/89/36/1376378936.db2.gz HGLPNIBDCKPHGR-DOTOQJQBSA-N 2 2 342.405 3.166 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232003796 1376378941 /nfs/dbraw/zinc/37/89/41/1376378941.db2.gz HGLPNIBDCKPHGR-DOTOQJQBSA-N 2 2 342.405 3.166 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232003796 1376378944 /nfs/dbraw/zinc/37/89/44/1376378944.db2.gz HGLPNIBDCKPHGR-DOTOQJQBSA-N 2 2 342.405 3.166 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3C)C[C@@H]2C1 ZINC001232003796 1376378950 /nfs/dbraw/zinc/37/89/50/1376378950.db2.gz HGLPNIBDCKPHGR-DOTOQJQBSA-N 2 2 342.405 3.166 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(C)n1 ZINC001232080656 1376395971 /nfs/dbraw/zinc/39/59/71/1376395971.db2.gz HDNOXCNULMSAPA-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(C)n1 ZINC001232080656 1376395979 /nfs/dbraw/zinc/39/59/79/1376395979.db2.gz HDNOXCNULMSAPA-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(C)n1 ZINC001232080656 1376395984 /nfs/dbraw/zinc/39/59/84/1376395984.db2.gz HDNOXCNULMSAPA-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(C)n1 ZINC001232080656 1376395988 /nfs/dbraw/zinc/39/59/88/1376395988.db2.gz HDNOXCNULMSAPA-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c(C)c1 ZINC001232180890 1376414247 /nfs/dbraw/zinc/41/42/47/1376414247.db2.gz BYLWACAUIGRAGT-UHFFFAOYSA-N 2 2 339.439 3.392 20 0 EGADLP Cc1cccc(F)c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001232490155 1376467379 /nfs/dbraw/zinc/46/73/79/1376467379.db2.gz OQBAWLRQCPRVBU-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cccc(F)c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001232490155 1376467381 /nfs/dbraw/zinc/46/73/81/1376467381.db2.gz OQBAWLRQCPRVBU-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cccc(F)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001232490155 1376467386 /nfs/dbraw/zinc/46/73/86/1376467386.db2.gz OQBAWLRQCPRVBU-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cccc(F)c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001232490155 1376467389 /nfs/dbraw/zinc/46/73/89/1376467389.db2.gz OQBAWLRQCPRVBU-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP COc1cccc(C)c1C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001232622805 1376492190 /nfs/dbraw/zinc/49/21/90/1376492190.db2.gz APTHKDVUBIIYNK-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC3CCCC3)ccn12 ZINC001134369275 1376497347 /nfs/dbraw/zinc/49/73/47/1376497347.db2.gz JHVHQGQAJZWXLS-GJZGRUSLSA-N 2 2 342.487 3.319 20 0 EGADLP CCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369241 1376497380 /nfs/dbraw/zinc/49/73/80/1376497380.db2.gz IXWTZDSFLALQMB-LSDHHAIUSA-N 2 2 330.476 3.319 20 0 EGADLP COC(=O)c1cccc2c(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001232715052 1376507352 /nfs/dbraw/zinc/50/73/52/1376507352.db2.gz ZMGJDLYOUNHWPA-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP COC(=O)c1cccc2c(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c21 ZINC001232715052 1376507363 /nfs/dbraw/zinc/50/73/63/1376507363.db2.gz ZMGJDLYOUNHWPA-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544173 1376583985 /nfs/dbraw/zinc/58/39/85/1376583985.db2.gz DHGCIHZYKHZWEV-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544173 1376583989 /nfs/dbraw/zinc/58/39/89/1376583989.db2.gz DHGCIHZYKHZWEV-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP COCOc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001233282431 1376603991 /nfs/dbraw/zinc/60/39/91/1376603991.db2.gz QMMUMBJNVPEEDM-UHFFFAOYSA-N 2 2 336.451 3.068 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729773 1376682418 /nfs/dbraw/zinc/68/24/18/1376682418.db2.gz MRHWTBUVHYTSSU-HOTGVXAUSA-N 2 2 336.524 3.380 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001134745303 1376693281 /nfs/dbraw/zinc/69/32/81/1376693281.db2.gz USNLKLFPTFVOPO-HOTGVXAUSA-N 2 2 349.519 3.332 20 0 EGADLP CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313484 1376804355 /nfs/dbraw/zinc/80/43/55/1376804355.db2.gz DKPKHPSLJNOHCW-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313484 1376804361 /nfs/dbraw/zinc/80/43/61/1376804361.db2.gz DKPKHPSLJNOHCW-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963817 1376813744 /nfs/dbraw/zinc/81/37/44/1376813744.db2.gz ATAVJKWLSBDUMD-JKSUJKDBSA-N 2 2 342.487 3.401 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970856 1376819314 /nfs/dbraw/zinc/81/93/14/1376819314.db2.gz STCOAIRIDHBIIJ-CABCVRRESA-N 2 2 330.476 3.257 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235023735 1376828601 /nfs/dbraw/zinc/82/86/01/1376828601.db2.gz WMYRITJPGVDPGC-HXUWFJFHSA-N 2 2 332.488 3.066 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235023735 1376828609 /nfs/dbraw/zinc/82/86/09/1376828609.db2.gz WMYRITJPGVDPGC-HXUWFJFHSA-N 2 2 332.488 3.066 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112521 1376846844 /nfs/dbraw/zinc/84/68/44/1376846844.db2.gz YBVULQNIUJFBLH-OAQYLSRUSA-N 2 2 332.451 3.353 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001235112521 1376846849 /nfs/dbraw/zinc/84/68/49/1376846849.db2.gz YBVULQNIUJFBLH-OAQYLSRUSA-N 2 2 332.451 3.353 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2cccnc2)c(C)[nH+]1 ZINC001135036664 1376860784 /nfs/dbraw/zinc/86/07/84/1376860784.db2.gz BJMYXVBCVVCGQR-GOEBONIOSA-N 2 2 340.471 3.089 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633822 1376881667 /nfs/dbraw/zinc/88/16/67/1376881667.db2.gz QSEKLSDGIOKRSS-ROUUACIJSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633822 1376881674 /nfs/dbraw/zinc/88/16/74/1376881674.db2.gz QSEKLSDGIOKRSS-ROUUACIJSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001135080554 1376883589 /nfs/dbraw/zinc/88/35/89/1376883589.db2.gz WZLOWCDQQRCWLN-HZPDHXFCSA-N 2 2 342.487 3.179 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001135080554 1376883593 /nfs/dbraw/zinc/88/35/93/1376883593.db2.gz WZLOWCDQQRCWLN-HZPDHXFCSA-N 2 2 342.487 3.179 20 0 EGADLP CCC[N@H+](Cc1ccc(OC)cc1Br)C1CC[NH2+]CC1 ZINC001236182385 1376939693 /nfs/dbraw/zinc/93/96/93/1376939693.db2.gz NXAWMVRMWWYLLS-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP CCC[N@@H+](Cc1ccc(OC)cc1Br)C1CC[NH2+]CC1 ZINC001236182385 1376939696 /nfs/dbraw/zinc/93/96/96/1376939696.db2.gz NXAWMVRMWWYLLS-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP Fc1ccc(C[N@H+](CCCc2ccncc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388501 1376951366 /nfs/dbraw/zinc/95/13/66/1376951366.db2.gz LQIGGGDXQYCDDG-FQEVSTJZSA-N 2 2 327.447 3.408 20 0 EGADLP Fc1ccc(C[N@@H+](CCCc2ccncc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388501 1376951373 /nfs/dbraw/zinc/95/13/73/1376951373.db2.gz LQIGGGDXQYCDDG-FQEVSTJZSA-N 2 2 327.447 3.408 20 0 EGADLP CCC[N@@H+](Cc1cc(Cl)cnc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236844096 1376966909 /nfs/dbraw/zinc/96/69/09/1376966909.db2.gz SUYABEWKRVVCSR-AWEZNQCLSA-N 2 2 325.884 3.344 20 0 EGADLP CCC[N@H+](Cc1cc(Cl)cnc1OC(C)C)C[C@H]1CC[NH2+]C1 ZINC001236844096 1376966918 /nfs/dbraw/zinc/96/69/18/1376966918.db2.gz SUYABEWKRVVCSR-AWEZNQCLSA-N 2 2 325.884 3.344 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240025986 1377011376 /nfs/dbraw/zinc/01/13/76/1377011376.db2.gz UMAXPXHPJFULPE-IBGZPJMESA-N 2 2 337.467 3.025 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001240025986 1377011379 /nfs/dbraw/zinc/01/13/79/1377011379.db2.gz UMAXPXHPJFULPE-IBGZPJMESA-N 2 2 337.467 3.025 20 0 EGADLP C[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001254526756 1377107488 /nfs/dbraw/zinc/10/74/88/1377107488.db2.gz ULDLCZXMIPMGMA-INIZCTEOSA-N 2 2 336.426 3.344 20 0 EGADLP C[N@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001254526756 1377107490 /nfs/dbraw/zinc/10/74/90/1377107490.db2.gz ULDLCZXMIPMGMA-INIZCTEOSA-N 2 2 336.426 3.344 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)o2)C1 ZINC001137071826 1377473093 /nfs/dbraw/zinc/47/30/93/1377473093.db2.gz DZPUZGJTHMTWNG-KRWDZBQOSA-N 2 2 327.428 3.237 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)o2)C1 ZINC001137071826 1377473094 /nfs/dbraw/zinc/47/30/94/1377473094.db2.gz DZPUZGJTHMTWNG-KRWDZBQOSA-N 2 2 327.428 3.237 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[C@@H]([NH+]4CCCCC4)[C@@H](F)C3)n2c1 ZINC001137313579 1377514667 /nfs/dbraw/zinc/51/46/67/1377514667.db2.gz GWOMKHBYWLKQGI-ZWKOTPCHSA-N 2 2 330.451 3.041 20 0 EGADLP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)[nH]1 ZINC001137324422 1377519903 /nfs/dbraw/zinc/51/99/03/1377519903.db2.gz RTIRNAAZGRVODA-UHFFFAOYSA-N 2 2 343.471 3.092 20 0 EGADLP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)[nH]1 ZINC001137324422 1377519904 /nfs/dbraw/zinc/51/99/04/1377519904.db2.gz RTIRNAAZGRVODA-UHFFFAOYSA-N 2 2 343.471 3.092 20 0 EGADLP COc1c(C)cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1C ZINC001138428757 1377722677 /nfs/dbraw/zinc/72/26/77/1377722677.db2.gz RESZFNFSVLPJFH-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP COc1c(C)cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1C ZINC001138428757 1377722678 /nfs/dbraw/zinc/72/26/78/1377722678.db2.gz RESZFNFSVLPJFH-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccn3-c3ccccc3F)C[C@H]2C1 ZINC001138635299 1377758444 /nfs/dbraw/zinc/75/84/44/1377758444.db2.gz DGYIBCCLMNDYGQ-IAGOWNOFSA-N 2 2 327.447 3.390 20 0 EGADLP CNc1ncccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695265 1377769431 /nfs/dbraw/zinc/76/94/31/1377769431.db2.gz ZXBQMMCLSCTGRR-ICSRJNTNSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695265 1377769433 /nfs/dbraw/zinc/76/94/33/1377769433.db2.gz ZXBQMMCLSCTGRR-ICSRJNTNSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695265 1377769436 /nfs/dbraw/zinc/76/94/36/1377769436.db2.gz ZXBQMMCLSCTGRR-ICSRJNTNSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695265 1377769438 /nfs/dbraw/zinc/76/94/38/1377769438.db2.gz ZXBQMMCLSCTGRR-ICSRJNTNSA-N 2 2 336.483 3.077 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001138773792 1377782322 /nfs/dbraw/zinc/78/23/22/1377782322.db2.gz NZPZWBRAXWVLSE-UHFFFAOYSA-N 2 2 346.421 3.464 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001138773792 1377782323 /nfs/dbraw/zinc/78/23/23/1377782323.db2.gz NZPZWBRAXWVLSE-UHFFFAOYSA-N 2 2 346.421 3.464 20 0 EGADLP CCOc1ccc(Cl)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001139006768 1377817001 /nfs/dbraw/zinc/81/70/01/1377817001.db2.gz XVKLVOVBGWXIPS-UHFFFAOYSA-N 2 2 331.847 3.456 20 0 EGADLP Brc1ccc2[nH]c(C[N@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001139184887 1377845790 /nfs/dbraw/zinc/84/57/90/1377845790.db2.gz JBKSZOMJNZHKDC-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Brc1ccc2[nH]c(C[N@@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001139184887 1377845791 /nfs/dbraw/zinc/84/57/91/1377845791.db2.gz JBKSZOMJNZHKDC-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP CC(C)c1nc(CC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001139356228 1377872677 /nfs/dbraw/zinc/87/26/77/1377872677.db2.gz JZKRHEMHQIVEMQ-UHFFFAOYSA-N 2 2 325.416 3.053 20 0 EGADLP CC(C)c1nc(CC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001139356228 1377872678 /nfs/dbraw/zinc/87/26/78/1377872678.db2.gz JZKRHEMHQIVEMQ-UHFFFAOYSA-N 2 2 325.416 3.053 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139364506 1377874730 /nfs/dbraw/zinc/87/47/30/1377874730.db2.gz UKGYLXIYDSMKDY-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139364506 1377874731 /nfs/dbraw/zinc/87/47/31/1377874731.db2.gz UKGYLXIYDSMKDY-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763435 1377947793 /nfs/dbraw/zinc/94/77/93/1377947793.db2.gz MXBWCLTZEISPKE-CTNGQTDRSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763435 1377947794 /nfs/dbraw/zinc/94/77/94/1377947794.db2.gz MXBWCLTZEISPKE-CTNGQTDRSA-N 2 2 344.499 3.162 20 0 EGADLP C[N@H+](Cc1cccs1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139766062 1377948178 /nfs/dbraw/zinc/94/81/78/1377948178.db2.gz FGAILIUBSDLFJJ-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP C[N@@H+](Cc1cccs1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139766062 1377948179 /nfs/dbraw/zinc/94/81/79/1377948179.db2.gz FGAILIUBSDLFJJ-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139765359 1377948305 /nfs/dbraw/zinc/94/83/05/1377948305.db2.gz WKJLQDHPBWFHLS-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)[C@H]1CCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139765359 1377948306 /nfs/dbraw/zinc/94/83/06/1377948306.db2.gz WKJLQDHPBWFHLS-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP Cn1c(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc2ccccc21 ZINC001139867977 1377967480 /nfs/dbraw/zinc/96/74/80/1377967480.db2.gz XUQBSTOHKYBAID-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc2ccccc21 ZINC001139867977 1377967485 /nfs/dbraw/zinc/96/74/85/1377967485.db2.gz XUQBSTOHKYBAID-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cc2ccccc21 ZINC001139867977 1377967496 /nfs/dbraw/zinc/96/74/96/1377967496.db2.gz XUQBSTOHKYBAID-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cc2ccccc21 ZINC001139867977 1377967500 /nfs/dbraw/zinc/96/75/00/1377967500.db2.gz XUQBSTOHKYBAID-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc2ccccc21 ZINC001139867978 1377967546 /nfs/dbraw/zinc/96/75/46/1377967546.db2.gz XUQBSTOHKYBAID-PMACEKPBSA-N 2 2 346.478 3.137 20 0 EGADLP Brc1cccc2[nH]cc(C[N@H+]3CCc4[nH+]ccn4CC3)c21 ZINC001139966031 1377984435 /nfs/dbraw/zinc/98/44/35/1377984435.db2.gz HKJAJMUQMNZSQB-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Brc1cccc2[nH]cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c21 ZINC001139966031 1377984438 /nfs/dbraw/zinc/98/44/38/1377984438.db2.gz HKJAJMUQMNZSQB-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC001140025877 1377991702 /nfs/dbraw/zinc/99/17/02/1377991702.db2.gz FNHRRDFRKSKLEV-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP Oc1cnccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140282259 1378041089 /nfs/dbraw/zinc/04/10/89/1378041089.db2.gz QRHADSBJDHJAPJ-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cnccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140282259 1378041091 /nfs/dbraw/zinc/04/10/91/1378041091.db2.gz QRHADSBJDHJAPJ-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cnccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001140282259 1378041092 /nfs/dbraw/zinc/04/10/92/1378041092.db2.gz QRHADSBJDHJAPJ-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cnccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001140282259 1378041094 /nfs/dbraw/zinc/04/10/94/1378041094.db2.gz QRHADSBJDHJAPJ-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC001140529302 1378078661 /nfs/dbraw/zinc/07/86/61/1378078661.db2.gz JUGFWDPUEAQBEP-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC001140529302 1378078662 /nfs/dbraw/zinc/07/86/62/1378078662.db2.gz JUGFWDPUEAQBEP-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5ccncc54)C[C@H]3C2)c1 ZINC001140641292 1378103627 /nfs/dbraw/zinc/10/36/27/1378103627.db2.gz GJOVHYVUSSDCCZ-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5ccncc54)C[C@H]3C2)c1 ZINC001140641292 1378103630 /nfs/dbraw/zinc/10/36/30/1378103630.db2.gz GJOVHYVUSSDCCZ-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5ccncc54)C[C@H]3C2)c1 ZINC001140641292 1378103632 /nfs/dbraw/zinc/10/36/32/1378103632.db2.gz GJOVHYVUSSDCCZ-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5ccncc54)C[C@H]3C2)c1 ZINC001140641292 1378103634 /nfs/dbraw/zinc/10/36/34/1378103634.db2.gz GJOVHYVUSSDCCZ-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP Cn1cnc2ccc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC001140740640 1378128137 /nfs/dbraw/zinc/12/81/37/1378128137.db2.gz UOVMRWJVBWKVAV-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1cnc2ccc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)cc21 ZINC001140740640 1378128139 /nfs/dbraw/zinc/12/81/39/1378128139.db2.gz UOVMRWJVBWKVAV-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCO1 ZINC001140804690 1378144014 /nfs/dbraw/zinc/14/40/14/1378144014.db2.gz ADOKQPHIGYGFBK-IBGZPJMESA-N 2 2 325.387 3.450 20 0 EGADLP C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCO1 ZINC001140804690 1378144021 /nfs/dbraw/zinc/14/40/21/1378144021.db2.gz ADOKQPHIGYGFBK-IBGZPJMESA-N 2 2 325.387 3.450 20 0 EGADLP CS[C@@H](C)CC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470823 1378174289 /nfs/dbraw/zinc/17/42/89/1378174289.db2.gz QQMCURBKKCHUCU-FUHWJXTLSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@@H](C)CC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470823 1378174293 /nfs/dbraw/zinc/17/42/93/1378174293.db2.gz QQMCURBKKCHUCU-FUHWJXTLSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470823 1378174296 /nfs/dbraw/zinc/17/42/96/1378174296.db2.gz QQMCURBKKCHUCU-FUHWJXTLSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470823 1378174300 /nfs/dbraw/zinc/17/43/00/1378174300.db2.gz QQMCURBKKCHUCU-FUHWJXTLSA-N 2 2 336.549 3.229 20 0 EGADLP c1cn2ccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046122 1378218280 /nfs/dbraw/zinc/21/82/80/1378218280.db2.gz MUNAURREQCLHIB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046122 1378218282 /nfs/dbraw/zinc/21/82/82/1378218282.db2.gz MUNAURREQCLHIB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046122 1378218288 /nfs/dbraw/zinc/21/82/88/1378218288.db2.gz MUNAURREQCLHIB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046122 1378218292 /nfs/dbraw/zinc/21/82/92/1378218292.db2.gz MUNAURREQCLHIB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906320 1378251474 /nfs/dbraw/zinc/25/14/74/1378251474.db2.gz YAFRNYGFEFZQGA-WOJBJXKFSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906320 1378251480 /nfs/dbraw/zinc/25/14/80/1378251480.db2.gz YAFRNYGFEFZQGA-WOJBJXKFSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](CCNC(C)=O)C2 ZINC001277906320 1378251486 /nfs/dbraw/zinc/25/14/86/1378251486.db2.gz YAFRNYGFEFZQGA-WOJBJXKFSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCNC(C)=O)C2 ZINC001277906320 1378251492 /nfs/dbraw/zinc/25/14/92/1378251492.db2.gz YAFRNYGFEFZQGA-WOJBJXKFSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(O)c(OC)c(OC)c2)CC1 ZINC001141175799 1378260617 /nfs/dbraw/zinc/26/06/17/1378260617.db2.gz XYRAJVFKIRJSAZ-UHFFFAOYSA-N 2 2 336.476 3.106 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(O)c(OC)c(OC)c2)CC1 ZINC001141175799 1378260620 /nfs/dbraw/zinc/26/06/20/1378260620.db2.gz XYRAJVFKIRJSAZ-UHFFFAOYSA-N 2 2 336.476 3.106 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001281888862 1378455937 /nfs/dbraw/zinc/45/59/37/1378455937.db2.gz INUMWLCPROLZEM-ROUUACIJSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@H]3C2)cc1 ZINC001142679419 1378475607 /nfs/dbraw/zinc/47/56/07/1378475607.db2.gz FPYPRDZPFHRIED-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@H]3C2)cc1 ZINC001142679419 1378475609 /nfs/dbraw/zinc/47/56/09/1378475609.db2.gz FPYPRDZPFHRIED-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP COC(=O)c1ccc2[nH]cc(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c2c1 ZINC001143240368 1378568361 /nfs/dbraw/zinc/56/83/61/1378568361.db2.gz CTZXFPKGFQAEAC-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP COC(=O)c1ccc2[nH]cc(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c2c1 ZINC001143240368 1378568364 /nfs/dbraw/zinc/56/83/64/1378568364.db2.gz CTZXFPKGFQAEAC-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CCC1CCCC1 ZINC001146712643 1378905036 /nfs/dbraw/zinc/90/50/36/1378905036.db2.gz DRCIEKQUYLABBB-SJORKVTESA-N 2 2 334.508 3.117 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001146714716 1378905830 /nfs/dbraw/zinc/90/58/30/1378905830.db2.gz QPIMQCGDEMUXRJ-IAGOWNOFSA-N 2 2 346.519 3.117 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115099 1380023703 /nfs/dbraw/zinc/02/37/03/1380023703.db2.gz NCBIZGHTIXPKSM-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115099 1380023708 /nfs/dbraw/zinc/02/37/08/1380023708.db2.gz NCBIZGHTIXPKSM-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066407 1380197016 /nfs/dbraw/zinc/19/70/16/1380197016.db2.gz RJDMKQGGHLMZKM-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066407 1380197018 /nfs/dbraw/zinc/19/70/18/1380197018.db2.gz RJDMKQGGHLMZKM-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315265 1380254572 /nfs/dbraw/zinc/25/45/72/1380254572.db2.gz RLWCIMMCDUVTNO-MRXNPFEDSA-N 2 2 330.476 3.355 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315265 1380254576 /nfs/dbraw/zinc/25/45/76/1380254576.db2.gz RLWCIMMCDUVTNO-MRXNPFEDSA-N 2 2 330.476 3.355 20 0 EGADLP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154536977 1380300904 /nfs/dbraw/zinc/30/09/04/1380300904.db2.gz ILUKTEAOANNKQV-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154536977 1380300905 /nfs/dbraw/zinc/30/09/05/1380300905.db2.gz ILUKTEAOANNKQV-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189107 1380422135 /nfs/dbraw/zinc/42/21/35/1380422135.db2.gz GKKDLLGGDOFGRS-ZMJQMOPZSA-N 2 2 346.519 3.403 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189107 1380422136 /nfs/dbraw/zinc/42/21/36/1380422136.db2.gz GKKDLLGGDOFGRS-ZMJQMOPZSA-N 2 2 346.519 3.403 20 0 EGADLP Fc1ccc(COc2ccc[nH+]c2N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001155587961 1380470762 /nfs/dbraw/zinc/47/07/62/1380470762.db2.gz JHESHNQTFXXQOR-PVAVHDDUSA-N 2 2 327.403 3.210 20 0 EGADLP Clc1ccc2c(cc[nH+]c2NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001155595226 1380471458 /nfs/dbraw/zinc/47/14/58/1380471458.db2.gz BVKYTTJQZDFXAX-UGSOOPFHSA-N 2 2 331.847 3.459 20 0 EGADLP CCCN(CCC)c1cc(N2CC[NH2+]C[C@@H]2c2cccs2)nc[nH+]1 ZINC001156109451 1380526422 /nfs/dbraw/zinc/52/64/22/1380526422.db2.gz BUAXMJSLAQPVLU-OAHLLOKOSA-N 2 2 345.516 3.315 20 0 EGADLP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149697 1380531546 /nfs/dbraw/zinc/53/15/46/1380531546.db2.gz VZMHTHQCKZBSCM-DLBZAZTESA-N 2 2 342.487 3.359 20 0 EGADLP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149697 1380531547 /nfs/dbraw/zinc/53/15/47/1380531547.db2.gz VZMHTHQCKZBSCM-DLBZAZTESA-N 2 2 342.487 3.359 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NCC1CC[NH+](C(C)C)CC1 ZINC001156501309 1380584468 /nfs/dbraw/zinc/58/44/68/1380584468.db2.gz KCRAVOIBKJCIPS-AATRIKPKSA-N 2 2 331.460 3.109 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879807 1381057501 /nfs/dbraw/zinc/05/75/01/1381057501.db2.gz AEHSWNXHYPDDNA-LAQIPUCWSA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879807 1381057505 /nfs/dbraw/zinc/05/75/05/1381057505.db2.gz AEHSWNXHYPDDNA-LAQIPUCWSA-N 2 2 332.492 3.012 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050326 1381113027 /nfs/dbraw/zinc/11/30/27/1381113027.db2.gz OSHROONLWTYAOI-GOSISDBHSA-N 2 2 334.508 3.236 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050326 1381113031 /nfs/dbraw/zinc/11/30/31/1381113031.db2.gz OSHROONLWTYAOI-GOSISDBHSA-N 2 2 334.508 3.236 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050326 1381113033 /nfs/dbraw/zinc/11/30/33/1381113033.db2.gz OSHROONLWTYAOI-GOSISDBHSA-N 2 2 334.508 3.236 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050326 1381113037 /nfs/dbraw/zinc/11/30/37/1381113037.db2.gz OSHROONLWTYAOI-GOSISDBHSA-N 2 2 334.508 3.236 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158089841 1381125837 /nfs/dbraw/zinc/12/58/37/1381125837.db2.gz FAUBPJVJAPQMLG-RHIRGMCDSA-N 2 2 344.503 3.182 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158089841 1381125841 /nfs/dbraw/zinc/12/58/41/1381125841.db2.gz FAUBPJVJAPQMLG-RHIRGMCDSA-N 2 2 344.503 3.182 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158089841 1381125846 /nfs/dbraw/zinc/12/58/46/1381125846.db2.gz FAUBPJVJAPQMLG-RHIRGMCDSA-N 2 2 344.503 3.182 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158089841 1381125854 /nfs/dbraw/zinc/12/58/54/1381125854.db2.gz FAUBPJVJAPQMLG-RHIRGMCDSA-N 2 2 344.503 3.182 20 0 EGADLP Cc1nc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c(C)c(C)[nH+]1 ZINC001158172747 1381148551 /nfs/dbraw/zinc/14/85/51/1381148551.db2.gz LIIJKTFHMIPSNL-IYARVYRRSA-N 2 2 325.460 3.073 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N(C3CCCC3)C3CC[NH+](C)CC3)c2c1C ZINC001158488340 1381265024 /nfs/dbraw/zinc/26/50/24/1381265024.db2.gz UFGYCXDYTRPEEX-UHFFFAOYSA-N 2 2 327.476 3.418 20 0 EGADLP c1c[nH+]c(Nc2ccc(C3CC[NH2+]CC3)cc2)c(N2CCOCC2)c1 ZINC001159311860 1381759185 /nfs/dbraw/zinc/75/91/85/1381759185.db2.gz QMCRSFZWJLCXLA-UHFFFAOYSA-N 2 2 338.455 3.129 20 0 EGADLP c1c[nH+]c(-c2ccc(Nc3cccc(CN4CC[NH2+]CC4)c3)cc2)[nH]1 ZINC001159636618 1381855559 /nfs/dbraw/zinc/85/55/59/1381855559.db2.gz FKPWWXKNMJXEIF-UHFFFAOYSA-N 2 2 333.439 3.226 20 0 EGADLP Cc1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1OC1CC[NH2+]CC1 ZINC001160225737 1382040255 /nfs/dbraw/zinc/04/02/55/1382040255.db2.gz BDXPWVNIBKXVAY-UHFFFAOYSA-N 2 2 326.444 3.330 20 0 EGADLP O=C(NCCC1=CC[N@H+](CC2CCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160492447 1382121716 /nfs/dbraw/zinc/12/17/16/1382121716.db2.gz SUGFSUFSEANRQH-UHFFFAOYSA-N 2 2 338.455 3.115 20 0 EGADLP O=C(NCCC1=CC[N@@H+](CC2CCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160492447 1382121719 /nfs/dbraw/zinc/12/17/19/1382121719.db2.gz SUGFSUFSEANRQH-UHFFFAOYSA-N 2 2 338.455 3.115 20 0 EGADLP CCCN(CCC)c1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)[nH+]cn1 ZINC001160738521 1382183204 /nfs/dbraw/zinc/18/32/04/1382183204.db2.gz KKYDGHQVMDFBLY-OLZOCXBDSA-N 2 2 345.413 3.055 20 0 EGADLP CCCN(CCC)c1cc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc[nH+]1 ZINC001160738521 1382183208 /nfs/dbraw/zinc/18/32/08/1382183208.db2.gz KKYDGHQVMDFBLY-OLZOCXBDSA-N 2 2 345.413 3.055 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001160826483 1382210158 /nfs/dbraw/zinc/21/01/58/1382210158.db2.gz ILCSDBVWABTAOH-GOSISDBHSA-N 2 2 342.487 3.174 20 0 EGADLP C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012588 1382271190 /nfs/dbraw/zinc/27/11/90/1382271190.db2.gz DVEALFWJWVDJFZ-SJLPKXTDSA-N 2 2 340.471 3.314 20 0 EGADLP C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012588 1382271194 /nfs/dbraw/zinc/27/11/94/1382271194.db2.gz DVEALFWJWVDJFZ-SJLPKXTDSA-N 2 2 340.471 3.314 20 0 EGADLP COc1cc(C)c[nH+]c1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161136575 1382314565 /nfs/dbraw/zinc/31/45/65/1382314565.db2.gz HHUPZSGQKPRZDY-UHFFFAOYSA-N 2 2 327.428 3.181 20 0 EGADLP O=C(C[NH+]1CCC(Nc2cc3[nH]ccc3c[nH+]2)CC1)c1ccccc1 ZINC001161142693 1382315550 /nfs/dbraw/zinc/31/55/50/1382315550.db2.gz CXLAACSLSCZEDI-UHFFFAOYSA-N 2 2 334.423 3.322 20 0 EGADLP CC(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189231 1382334443 /nfs/dbraw/zinc/33/44/43/1382334443.db2.gz FLOCNRPENLFUBU-QGZVFWFLSA-N 2 2 344.503 3.014 20 0 EGADLP CC(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189231 1382334449 /nfs/dbraw/zinc/33/44/49/1382334449.db2.gz FLOCNRPENLFUBU-QGZVFWFLSA-N 2 2 344.503 3.014 20 0 EGADLP Cc1nc(NC2(Cc3ccccn3)CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC001161491898 1382421822 /nfs/dbraw/zinc/42/18/22/1382421822.db2.gz UJRBQICFJSEAPR-UHFFFAOYSA-N 2 2 325.460 3.080 20 0 EGADLP COc1ccc(Cn2c[nH+]cc2CNc2cccc(N(C)C)[nH+]2)cc1 ZINC001161504672 1382425068 /nfs/dbraw/zinc/42/50/68/1382425068.db2.gz BZFQRFKYVBAJGE-UHFFFAOYSA-N 2 2 337.427 3.013 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993621 1382592210 /nfs/dbraw/zinc/59/22/10/1382592210.db2.gz FGZAUIWCXKXRBZ-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993621 1382592213 /nfs/dbraw/zinc/59/22/13/1382592213.db2.gz FGZAUIWCXKXRBZ-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](Nc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)C1 ZINC001162394481 1382746547 /nfs/dbraw/zinc/74/65/47/1382746547.db2.gz PKSPEBRCECGXAR-CVEARBPZSA-N 2 2 334.427 3.011 20 0 EGADLP Cc1c(F)cc[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162467660 1382766317 /nfs/dbraw/zinc/76/63/17/1382766317.db2.gz VXKFMTNPFZFQJV-UHFFFAOYSA-N 2 2 333.391 3.487 20 0 EGADLP COc1cc2cc[nH+]c(NCC[C@H]3CC[NH2+]CC3(F)F)c2cc1F ZINC001162814101 1382883435 /nfs/dbraw/zinc/88/34/35/1382883435.db2.gz IYSKEIBHWKTURR-GFCCVEGCSA-N 2 2 339.361 3.429 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCCc2ccccc2)c(C)[nH+]1 ZINC001162918031 1382916379 /nfs/dbraw/zinc/91/63/79/1382916379.db2.gz ZHAGHMXLGYSEEZ-UHFFFAOYSA-N 2 2 339.483 3.349 20 0 EGADLP CC(C)COc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc[nH+]1 ZINC001162966913 1382930384 /nfs/dbraw/zinc/93/03/84/1382930384.db2.gz LEEWHASIWJSEDH-KRWDZBQOSA-N 2 2 333.476 3.077 20 0 EGADLP Cc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)[nH+]cc1C(F)(F)F ZINC001163055807 1382955973 /nfs/dbraw/zinc/95/59/73/1382955973.db2.gz GFGUBQGSXLATAL-CYBMUJFWSA-N 2 2 338.377 3.432 20 0 EGADLP CC[NH+](CC)c1ccc(C)c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001163291162 1383013939 /nfs/dbraw/zinc/01/39/39/1383013939.db2.gz MPJPLRINDQCHEN-XLIONFOSSA-N 2 2 331.504 3.412 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@H](C)C1 ZINC001163372807 1383035789 /nfs/dbraw/zinc/03/57/89/1383035789.db2.gz WPIOZEDUHHJLJJ-ZACQAIPSSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@H](C)C1 ZINC001163372807 1383035794 /nfs/dbraw/zinc/03/57/94/1383035794.db2.gz WPIOZEDUHHJLJJ-ZACQAIPSSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@H](C)C1 ZINC001163372807 1383035799 /nfs/dbraw/zinc/03/57/99/1383035799.db2.gz WPIOZEDUHHJLJJ-ZACQAIPSSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@H](C)C1 ZINC001163372807 1383035805 /nfs/dbraw/zinc/03/58/05/1383035805.db2.gz WPIOZEDUHHJLJJ-ZACQAIPSSA-N 2 2 331.508 3.244 20 0 EGADLP CCCc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc(CCC)[nH+]1 ZINC001163645154 1383094350 /nfs/dbraw/zinc/09/43/50/1383094350.db2.gz RFLCRMBBLBNAGL-QFBILLFUSA-N 2 2 332.492 3.095 20 0 EGADLP Cc1cccc(N2CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)[nH+]1 ZINC001163668099 1383099857 /nfs/dbraw/zinc/09/98/57/1383099857.db2.gz NZAOPQPTARJCRJ-UHFFFAOYSA-N 2 2 333.439 3.082 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c1 ZINC001164492325 1383192913 /nfs/dbraw/zinc/19/29/13/1383192913.db2.gz JSKXYISUVIFGDE-DFQSSKMNSA-N 2 2 336.483 3.470 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c1 ZINC001164492325 1383192915 /nfs/dbraw/zinc/19/29/15/1383192915.db2.gz JSKXYISUVIFGDE-DFQSSKMNSA-N 2 2 336.483 3.470 20 0 EGADLP CCCc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165089856 1383226087 /nfs/dbraw/zinc/22/60/87/1383226087.db2.gz VEQBNKZOZJYQCA-AZUAARDMSA-N 2 2 336.483 3.448 20 0 EGADLP CCCc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165089856 1383226092 /nfs/dbraw/zinc/22/60/92/1383226092.db2.gz VEQBNKZOZJYQCA-AZUAARDMSA-N 2 2 336.483 3.448 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2cc(CSC)cc[nH+]2)CC1 ZINC001165112694 1383230507 /nfs/dbraw/zinc/23/05/07/1383230507.db2.gz NPKHJYQYZHQHGK-KRWDZBQOSA-N 2 2 335.517 3.024 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2cc(CSC)cc[nH+]2)CC1 ZINC001165112694 1383230509 /nfs/dbraw/zinc/23/05/09/1383230509.db2.gz NPKHJYQYZHQHGK-KRWDZBQOSA-N 2 2 335.517 3.024 20 0 EGADLP CCOC(=O)c1c(C)cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)[nH+]c1C ZINC001165322565 1383273211 /nfs/dbraw/zinc/27/32/11/1383273211.db2.gz CVXGVECHJDORJF-QGZVFWFLSA-N 2 2 345.487 3.234 20 0 EGADLP Cn1ccc2c1[nH+]ccc2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165398710 1383286433 /nfs/dbraw/zinc/28/64/33/1383286433.db2.gz QABLZZKHWQSBSI-UHFFFAOYSA-N 2 2 336.439 3.018 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593678 1383313635 /nfs/dbraw/zinc/31/36/35/1383313635.db2.gz NBASIZOYVSRMAS-BRWVUGGUSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593678 1383313637 /nfs/dbraw/zinc/31/36/37/1383313637.db2.gz NBASIZOYVSRMAS-BRWVUGGUSA-N 2 2 346.519 3.072 20 0 EGADLP CC/C=C\CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756321 1383339651 /nfs/dbraw/zinc/33/96/51/1383339651.db2.gz BPTPHXDAEKEVMU-ARJAWSKDSA-N 2 2 340.471 3.409 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001166322586 1383411565 /nfs/dbraw/zinc/41/15/65/1383411565.db2.gz KXVRXTVVVGSALW-UHFFFAOYSA-N 2 2 348.535 3.055 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC001166401098 1383418599 /nfs/dbraw/zinc/41/85/99/1383418599.db2.gz BQSOJXXXKANZCU-IRXDYDNUSA-N 2 2 340.471 3.077 20 0 EGADLP C[C@H](CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001167348647 1383606556 /nfs/dbraw/zinc/60/65/56/1383606556.db2.gz OVSHOJTXVQHGJH-QGZVFWFLSA-N 2 2 346.519 3.291 20 0 EGADLP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001301660862 1383724775 /nfs/dbraw/zinc/72/47/75/1383724775.db2.gz HLGAFBJXZCHZKR-MSOLQXFVSA-N 2 2 349.906 3.077 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010963 1383796021 /nfs/dbraw/zinc/79/60/21/1383796021.db2.gz LVGGWMAWFBKPTM-HGKCTWBKSA-N 3 2 326.488 3.307 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168010963 1383796025 /nfs/dbraw/zinc/79/60/25/1383796025.db2.gz LVGGWMAWFBKPTM-HGKCTWBKSA-N 3 2 326.488 3.307 20 0 EGADLP C[C@@H]1CC([N@@H+]2C[C@H](F)C[C@@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039325 1383802253 /nfs/dbraw/zinc/80/22/53/1383802253.db2.gz DEGADCBYUODHSZ-PSBWJHGTSA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1CC([N@H+]2C[C@H](F)C[C@@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039325 1383802254 /nfs/dbraw/zinc/80/22/54/1383802254.db2.gz DEGADCBYUODHSZ-PSBWJHGTSA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1CC([NH+]2CCC3(C[NH+](C)C3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054720 1383805638 /nfs/dbraw/zinc/80/56/38/1383805638.db2.gz AOMJIMXSIKBWFP-RTBURBONSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1CC(N2CC([N@@H+]3CC[C@H](F)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064303 1383807960 /nfs/dbraw/zinc/80/79/60/1383807960.db2.gz PYFFETNWCQVMNN-LMMKCTJWSA-N 2 2 345.506 3.156 20 0 EGADLP C[C@@H]1CC(N2CC([N@H+]3CC[C@H](F)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064303 1383807963 /nfs/dbraw/zinc/80/79/63/1383807963.db2.gz PYFFETNWCQVMNN-LMMKCTJWSA-N 2 2 345.506 3.156 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+]C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168294954 1383865673 /nfs/dbraw/zinc/86/56/73/1383865673.db2.gz KKRRPNFWEJOTCJ-UHFFFAOYSA-N 3 2 345.531 3.122 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619475 1383949742 /nfs/dbraw/zinc/94/97/42/1383949742.db2.gz ZESQJAMJFHJXPN-BJLQDIEVSA-N 2 2 332.488 3.235 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619475 1383949749 /nfs/dbraw/zinc/94/97/49/1383949749.db2.gz ZESQJAMJFHJXPN-BJLQDIEVSA-N 2 2 332.488 3.235 20 0 EGADLP COc1ccc([C@@H]2C[C@H](n3cc[nH+]c3[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC001168664895 1383964046 /nfs/dbraw/zinc/96/40/46/1383964046.db2.gz KOWGSZLSXVEOQE-LMMKCTJWSA-N 2 2 341.455 3.452 20 0 EGADLP Clc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001168698697 1383970894 /nfs/dbraw/zinc/97/08/94/1383970894.db2.gz LCLPQHGTRCNKKJ-INIZCTEOSA-N 2 2 327.859 3.461 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531367 1383998983 /nfs/dbraw/zinc/99/89/83/1383998983.db2.gz SWLHONKASREBTL-OCCSQVGLSA-N 2 2 326.387 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531367 1383998990 /nfs/dbraw/zinc/99/89/90/1383998990.db2.gz SWLHONKASREBTL-OCCSQVGLSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531367 1383998997 /nfs/dbraw/zinc/99/89/97/1383998997.db2.gz SWLHONKASREBTL-OCCSQVGLSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@H](C)C1 ZINC001307531367 1383998999 /nfs/dbraw/zinc/99/89/99/1383998999.db2.gz SWLHONKASREBTL-OCCSQVGLSA-N 2 2 326.387 3.170 20 0 EGADLP Cc1ncn(-c2cc3c4c(c2)CCC[NH+]4CCC3)c1CSCC[NH3+] ZINC001168790531 1384006153 /nfs/dbraw/zinc/00/61/53/1384006153.db2.gz NNLIEBMAUSMVHC-UHFFFAOYSA-N 2 2 342.512 3.071 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168820186 1384017965 /nfs/dbraw/zinc/01/79/65/1384017965.db2.gz YCFUMBYTHYEXID-GVDBMIGSSA-N 2 2 339.524 3.094 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)n1)C2 ZINC001169119349 1384109577 /nfs/dbraw/zinc/10/95/77/1384109577.db2.gz RSUSMEVZJWPFCQ-MUJYYYPQSA-N 2 2 346.475 3.143 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)n1)C2 ZINC001169119349 1384109579 /nfs/dbraw/zinc/10/95/79/1384109579.db2.gz RSUSMEVZJWPFCQ-MUJYYYPQSA-N 2 2 346.475 3.143 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131403 1384111221 /nfs/dbraw/zinc/11/12/21/1384111221.db2.gz UEMFTZUSMWDANJ-ZVZGYBOSSA-N 2 2 348.531 3.050 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131403 1384111223 /nfs/dbraw/zinc/11/12/23/1384111223.db2.gz UEMFTZUSMWDANJ-ZVZGYBOSSA-N 2 2 348.531 3.050 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131403 1384111225 /nfs/dbraw/zinc/11/12/25/1384111225.db2.gz UEMFTZUSMWDANJ-ZVZGYBOSSA-N 2 2 348.531 3.050 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131403 1384111227 /nfs/dbraw/zinc/11/12/27/1384111227.db2.gz UEMFTZUSMWDANJ-ZVZGYBOSSA-N 2 2 348.531 3.050 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001308282754 1384115916 /nfs/dbraw/zinc/11/59/16/1384115916.db2.gz MWYXNACMOSLHGS-FPOVZHCZSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001308282754 1384115918 /nfs/dbraw/zinc/11/59/18/1384115918.db2.gz MWYXNACMOSLHGS-FPOVZHCZSA-N 2 2 342.458 3.107 20 0 EGADLP CC[NH+]1CCC([NH+]2CCN(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001169265580 1384129284 /nfs/dbraw/zinc/12/92/84/1384129284.db2.gz YJZFZMBQPYXNQQ-UHFFFAOYSA-N 2 2 341.421 3.312 20 0 EGADLP CC1(C)CC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC(C)(C)N1O ZINC001169993975 1384213331 /nfs/dbraw/zinc/21/33/31/1384213331.db2.gz VNKXMFVRQOLUGG-UHFFFAOYSA-N 2 2 333.476 3.336 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170117539 1384238684 /nfs/dbraw/zinc/23/86/84/1384238684.db2.gz LQRFYRUVCAQHGK-BEFAXECRSA-N 2 2 330.472 3.216 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)CCO1 ZINC001170171914 1384254455 /nfs/dbraw/zinc/25/44/55/1384254455.db2.gz WNKXCYVJTPNQAA-OALUTQOASA-N 2 2 332.488 3.207 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482329 1384327216 /nfs/dbraw/zinc/32/72/16/1384327216.db2.gz CHOJFBJZFYUGNV-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP [NH3+]CCC[C@H]([NH3+])Nc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001170899661 1384407930 /nfs/dbraw/zinc/40/79/30/1384407930.db2.gz DFQXJBZRYMNEDT-MRXNPFEDSA-N 3 2 329.835 3.090 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@@H+]1C[C@@H]3CCC[NH+](C)[C@@H]3C1)CC2 ZINC001171325883 1384495091 /nfs/dbraw/zinc/49/50/91/1384495091.db2.gz GCAGLRVKHJUQTJ-PMUMKWKESA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@@H]3CCC[NH+](C)[C@@H]3C1)CC2 ZINC001171325883 1384495094 /nfs/dbraw/zinc/49/50/94/1384495094.db2.gz GCAGLRVKHJUQTJ-PMUMKWKESA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@@H]3CCC[N@H+](C)[C@@H]3C1)CC2 ZINC001171325883 1384495095 /nfs/dbraw/zinc/49/50/95/1384495095.db2.gz GCAGLRVKHJUQTJ-PMUMKWKESA-N 2 2 334.891 3.232 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1C[C@@H]3CCC[N@@H+](C)[C@@H]3C1)CC2 ZINC001171325883 1384495097 /nfs/dbraw/zinc/49/50/97/1384495097.db2.gz GCAGLRVKHJUQTJ-PMUMKWKESA-N 2 2 334.891 3.232 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359643 1384502207 /nfs/dbraw/zinc/50/22/07/1384502207.db2.gz UCDKGPFYUBRPBX-DJIMGWMZSA-N 2 2 334.508 3.214 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359643 1384502211 /nfs/dbraw/zinc/50/22/11/1384502211.db2.gz UCDKGPFYUBRPBX-DJIMGWMZSA-N 2 2 334.508 3.214 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486236 1384537853 /nfs/dbraw/zinc/53/78/53/1384537853.db2.gz JLFKRAVDKCRRQI-INIZCTEOSA-N 2 2 335.492 3.088 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541319 1384557312 /nfs/dbraw/zinc/55/73/12/1384557312.db2.gz HSWBXIXFOGHECH-AWEZNQCLSA-N 2 2 326.406 3.377 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541319 1384557313 /nfs/dbraw/zinc/55/73/13/1384557313.db2.gz HSWBXIXFOGHECH-AWEZNQCLSA-N 2 2 326.406 3.377 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577404 1384569554 /nfs/dbraw/zinc/56/95/54/1384569554.db2.gz SBFIJJQOELQEGP-IAGOWNOFSA-N 2 2 348.535 3.146 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171597498 1384574821 /nfs/dbraw/zinc/57/48/21/1384574821.db2.gz ZNSSPFNQZFPSBV-SJLPKXTDSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605981 1384578042 /nfs/dbraw/zinc/57/80/42/1384578042.db2.gz RZZVIBXAGVCDNL-SJORKVTESA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605979 1384578173 /nfs/dbraw/zinc/57/81/73/1384578173.db2.gz RZZVIBXAGVCDNL-IRXDYDNUSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CC(N3CCC(F)(F)CC3)C2)CC1(C)C ZINC001171639293 1384588527 /nfs/dbraw/zinc/58/85/27/1384588527.db2.gz DIFAPXXKFFWOCF-UHFFFAOYSA-N 2 2 329.479 3.053 20 0 EGADLP Cn1cc(C2([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)cn1 ZINC001171970837 1384699194 /nfs/dbraw/zinc/69/91/94/1384699194.db2.gz FETHIIAIORDGPE-LJQANCHMSA-N 2 2 338.499 3.442 20 0 EGADLP Cn1cc(C2([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)cn1 ZINC001171970837 1384699200 /nfs/dbraw/zinc/69/92/00/1384699200.db2.gz FETHIIAIORDGPE-LJQANCHMSA-N 2 2 338.499 3.442 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H](CO)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978716 1384701872 /nfs/dbraw/zinc/70/18/72/1384701872.db2.gz LCAKDCGYNJFSGU-WOJBJXKFSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H](CO)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171978716 1384701874 /nfs/dbraw/zinc/70/18/74/1384701874.db2.gz LCAKDCGYNJFSGU-WOJBJXKFSA-N 2 2 339.483 3.148 20 0 EGADLP Cc1nccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067112 1384716159 /nfs/dbraw/zinc/71/61/59/1384716159.db2.gz FIGUVXMPSXJUIB-OWZKRDHZSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1nccnc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067112 1384716173 /nfs/dbraw/zinc/71/61/73/1384716173.db2.gz FIGUVXMPSXJUIB-OWZKRDHZSA-N 2 2 336.483 3.460 20 0 EGADLP Cn1cc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172080382 1384722981 /nfs/dbraw/zinc/72/29/81/1384722981.db2.gz UXFMAKFZQJXTGM-WKCHPHFGSA-N 2 2 338.499 3.438 20 0 EGADLP Cn1cc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172080382 1384722983 /nfs/dbraw/zinc/72/29/83/1384722983.db2.gz UXFMAKFZQJXTGM-WKCHPHFGSA-N 2 2 338.499 3.438 20 0 EGADLP Cn1cc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172080382 1384722986 /nfs/dbraw/zinc/72/29/86/1384722986.db2.gz UXFMAKFZQJXTGM-WKCHPHFGSA-N 2 2 338.499 3.438 20 0 EGADLP Cn1cc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172080382 1384722991 /nfs/dbraw/zinc/72/29/91/1384722991.db2.gz UXFMAKFZQJXTGM-WKCHPHFGSA-N 2 2 338.499 3.438 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113572 1384731446 /nfs/dbraw/zinc/73/14/46/1384731446.db2.gz KMWUYYYXDKJPTP-ZIBCJSCZSA-N 3 2 331.548 3.412 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113572 1384731448 /nfs/dbraw/zinc/73/14/48/1384731448.db2.gz KMWUYYYXDKJPTP-ZIBCJSCZSA-N 3 2 331.548 3.412 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127773 1384736639 /nfs/dbraw/zinc/73/66/39/1384736639.db2.gz KJFKKUZBKBUNCL-PMOLBWCYSA-N 2 2 347.547 3.116 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127773 1384736642 /nfs/dbraw/zinc/73/66/42/1384736642.db2.gz KJFKKUZBKBUNCL-PMOLBWCYSA-N 2 2 347.547 3.116 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127773 1384736647 /nfs/dbraw/zinc/73/66/47/1384736647.db2.gz KJFKKUZBKBUNCL-PMOLBWCYSA-N 2 2 347.547 3.116 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001172127773 1384736649 /nfs/dbraw/zinc/73/66/49/1384736649.db2.gz KJFKKUZBKBUNCL-PMOLBWCYSA-N 2 2 347.547 3.116 20 0 EGADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC001172162145 1384740391 /nfs/dbraw/zinc/74/03/91/1384740391.db2.gz GTGZQEYYPIJQNM-YUVXSKOASA-N 2 2 349.478 3.171 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](c2cccnc2Cl)C2CC2)CC1 ZINC001172249571 1384755899 /nfs/dbraw/zinc/75/58/99/1384755899.db2.gz OGCYYAIGIJRGAU-QGZVFWFLSA-N 2 2 337.895 3.277 20 0 EGADLP CC(C)COCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172458434 1384796802 /nfs/dbraw/zinc/79/68/02/1384796802.db2.gz YVBMNZLCFNGRBF-GOSISDBHSA-N 2 2 334.504 3.060 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001172776684 1384849625 /nfs/dbraw/zinc/84/96/25/1384849625.db2.gz MEVPZFXJOJYNBR-QZTJIDSGSA-N 2 2 345.487 3.010 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172943476 1384885555 /nfs/dbraw/zinc/88/55/55/1384885555.db2.gz HWLDAWQDYXXKKW-MRXNPFEDSA-N 2 2 327.513 3.098 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172949273 1384887180 /nfs/dbraw/zinc/88/71/80/1384887180.db2.gz IVHKNXYQTRGXLW-SJORKVTESA-N 2 2 341.540 3.342 20 0 EGADLP CCCOC1CCC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173096995 1384913337 /nfs/dbraw/zinc/91/33/37/1384913337.db2.gz FCGPRFGMDZYUHG-UHFFFAOYSA-N 2 2 344.459 3.015 20 0 EGADLP CCCOC1CCC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001173096995 1384913341 /nfs/dbraw/zinc/91/33/41/1384913341.db2.gz FCGPRFGMDZYUHG-UHFFFAOYSA-N 2 2 344.459 3.015 20 0 EGADLP COC(=O)CCCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001173459609 1384975133 /nfs/dbraw/zinc/97/51/33/1384975133.db2.gz DDRRBLPKQRAMEO-INIZCTEOSA-N 2 2 329.444 3.426 20 0 EGADLP COC(=O)CCCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001173459609 1384975135 /nfs/dbraw/zinc/97/51/35/1384975135.db2.gz DDRRBLPKQRAMEO-INIZCTEOSA-N 2 2 329.444 3.426 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001173649208 1384995575 /nfs/dbraw/zinc/99/55/75/1384995575.db2.gz MMKWPVRKVWVCFR-MOPGFXCFSA-N 2 2 348.531 3.449 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173649208 1384995579 /nfs/dbraw/zinc/99/55/79/1384995579.db2.gz MMKWPVRKVWVCFR-MOPGFXCFSA-N 2 2 348.531 3.449 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+](C)C ZINC001335881267 1388958995 /nfs/dbraw/zinc/95/89/95/1388958995.db2.gz NRBVEDKKBHFLQN-MRXNPFEDSA-N 2 2 341.455 3.347 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001317260015 1385029929 /nfs/dbraw/zinc/02/99/29/1385029929.db2.gz ZISMMSCKHYWDIR-QGZVFWFLSA-N 2 2 348.450 3.089 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175207665 1385219572 /nfs/dbraw/zinc/21/95/72/1385219572.db2.gz AFYJGJIPLZPUSM-XLYSIVADSA-N 2 2 346.519 3.451 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175468306 1385300700 /nfs/dbraw/zinc/30/07/00/1385300700.db2.gz FXARPOHGWYRQRE-HUUCEWRRSA-N 2 2 346.450 3.117 20 0 EGADLP CC[C@H]([NH2+]CCN(C)C(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001317616945 1385355794 /nfs/dbraw/zinc/35/57/94/1385355794.db2.gz NTLNAVUYDJCHOB-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCF)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175994010 1385455587 /nfs/dbraw/zinc/45/55/87/1385455587.db2.gz ZOYDFPPTEXQKER-INIZCTEOSA-N 2 2 346.450 3.110 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)c1ccccc1 ZINC001176350602 1385559109 /nfs/dbraw/zinc/55/91/09/1385559109.db2.gz IEUCQVYFLSJYDL-HOTGVXAUSA-N 2 2 342.487 3.286 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001176829292 1385715098 /nfs/dbraw/zinc/71/50/98/1385715098.db2.gz KNWSUPUAFDIDNE-HOTGVXAUSA-N 2 2 346.450 3.048 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC001176829636 1385716503 /nfs/dbraw/zinc/71/65/03/1385716503.db2.gz PDMWQKPDXXODPW-KRWDZBQOSA-N 2 2 348.535 3.364 20 0 EGADLP CC(C)CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431403 1385954295 /nfs/dbraw/zinc/95/42/95/1385954295.db2.gz XICSYAGUGJZXIS-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177437428 1385957041 /nfs/dbraw/zinc/95/70/41/1385957041.db2.gz QTZSJLMCNNGZCU-KRWDZBQOSA-N 2 2 348.535 3.387 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177437428 1385957044 /nfs/dbraw/zinc/95/70/44/1385957044.db2.gz QTZSJLMCNNGZCU-KRWDZBQOSA-N 2 2 348.535 3.387 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319186650 1385998073 /nfs/dbraw/zinc/99/80/73/1385998073.db2.gz VWPFVQNTMYNLPS-CQSZACIVSA-N 2 2 330.476 3.034 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC001177804789 1386050728 /nfs/dbraw/zinc/05/07/28/1386050728.db2.gz RYDNJOIDGHMSRE-KRWDZBQOSA-N 2 2 338.879 3.082 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001178345387 1386193861 /nfs/dbraw/zinc/19/38/61/1386193861.db2.gz ICIWIYFJOGUANA-UHFFFAOYSA-N 2 2 346.519 3.499 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nn(C)c3ccccc23)[nH+]1 ZINC001319710629 1386263843 /nfs/dbraw/zinc/26/38/43/1386263843.db2.gz BEESZDSLZRMUAP-MRXNPFEDSA-N 2 2 335.455 3.353 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nn(C)c3ccccc23)[nH+]1 ZINC001319710629 1386263845 /nfs/dbraw/zinc/26/38/45/1386263845.db2.gz BEESZDSLZRMUAP-MRXNPFEDSA-N 2 2 335.455 3.353 20 0 EGADLP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649475 1386268779 /nfs/dbraw/zinc/26/87/79/1386268779.db2.gz LFFZQTVOTWWNFG-SNAWJCMRSA-N 2 2 334.508 3.355 20 0 EGADLP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649475 1386268784 /nfs/dbraw/zinc/26/87/84/1386268784.db2.gz LFFZQTVOTWWNFG-SNAWJCMRSA-N 2 2 334.508 3.355 20 0 EGADLP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704301 1386284429 /nfs/dbraw/zinc/28/44/29/1386284429.db2.gz RGPQWAFCVDWHTB-RDJZCZTQSA-N 2 2 328.460 3.026 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001319817123 1386312832 /nfs/dbraw/zinc/31/28/32/1386312832.db2.gz MWEIURSBZNRYEY-WMZOPIPTSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178865734 1386333454 /nfs/dbraw/zinc/33/34/54/1386333454.db2.gz SDAOTPNCPLMVQK-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179158028 1386413318 /nfs/dbraw/zinc/41/33/18/1386413318.db2.gz XZBSZMYXGXBARF-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630096 1386535617 /nfs/dbraw/zinc/53/56/17/1386535617.db2.gz JXPMHWORQYQKTN-QZTJIDSGSA-N 2 2 348.535 3.226 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001179689599 1386554321 /nfs/dbraw/zinc/55/43/21/1386554321.db2.gz GNFMKMYZGSFEGC-QGZVFWFLSA-N 2 2 342.487 3.288 20 0 EGADLP C[C@@H](CC(=O)NCCCCCC[NH2+]CCCCCF)n1cc[nH+]c1 ZINC001179706097 1386560768 /nfs/dbraw/zinc/56/07/68/1386560768.db2.gz WBRCLSLMHFKSFW-KRWDZBQOSA-N 2 2 340.487 3.240 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777359 1386582048 /nfs/dbraw/zinc/58/20/48/1386582048.db2.gz VFFOGWIZBWUZPG-HNNXBMFYSA-N 2 2 348.516 3.116 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179777359 1386582050 /nfs/dbraw/zinc/58/20/50/1386582050.db2.gz VFFOGWIZBWUZPG-HNNXBMFYSA-N 2 2 348.516 3.116 20 0 EGADLP CC1CCC(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001179902777 1386623100 /nfs/dbraw/zinc/62/31/00/1386623100.db2.gz QQSWIVGVYHWMPE-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001180178578 1386722194 /nfs/dbraw/zinc/72/21/94/1386722194.db2.gz JCDGMNCSXCKPKF-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP CCC1(C)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001180285160 1386755330 /nfs/dbraw/zinc/75/53/30/1386755330.db2.gz YHCXIPDHUSZPKK-UHFFFAOYSA-N 2 2 346.515 3.410 20 0 EGADLP CCOC(=O)C1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001180304771 1386759338 /nfs/dbraw/zinc/75/93/38/1386759338.db2.gz AZXYVSHUBHYPHL-GOSISDBHSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC1 ZINC001180304771 1386759341 /nfs/dbraw/zinc/75/93/41/1386759341.db2.gz AZXYVSHUBHYPHL-GOSISDBHSA-N 2 2 344.499 3.363 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCOCC(F)(F)C(F)F)[nH+]1 ZINC001320951207 1386767771 /nfs/dbraw/zinc/76/77/71/1386767771.db2.gz YBBGOEKICMGALM-CYBMUJFWSA-N 2 2 349.372 3.183 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCOCC(F)(F)C(F)F)[nH+]1 ZINC001320951207 1386767773 /nfs/dbraw/zinc/76/77/73/1386767773.db2.gz YBBGOEKICMGALM-CYBMUJFWSA-N 2 2 349.372 3.183 20 0 EGADLP CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001180390667 1386782440 /nfs/dbraw/zinc/78/24/40/1386782440.db2.gz CHJOXKXHOXZHDK-HNNXBMFYSA-N 2 2 346.302 3.054 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)c(C)s1 ZINC001180478769 1386809746 /nfs/dbraw/zinc/80/97/46/1386809746.db2.gz XEEBGJFMOZRVEO-UHFFFAOYSA-N 2 2 348.516 3.028 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181279523 1386971962 /nfs/dbraw/zinc/97/19/62/1386971962.db2.gz SQFFPANTMWIGDZ-LDBCMITESA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001322194078 1387096535 /nfs/dbraw/zinc/09/65/35/1387096535.db2.gz PHCODZYIFZTSAB-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP C[C@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001322194078 1387096538 /nfs/dbraw/zinc/09/65/38/1387096538.db2.gz PHCODZYIFZTSAB-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950297 1389270245 /nfs/dbraw/zinc/27/02/45/1389270245.db2.gz AKQJNAMBZLNACO-KRWDZBQOSA-N 2 2 334.508 3.058 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950297 1389270250 /nfs/dbraw/zinc/27/02/50/1389270250.db2.gz AKQJNAMBZLNACO-KRWDZBQOSA-N 2 2 334.508 3.058 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)cc1O ZINC001330619861 1389472226 /nfs/dbraw/zinc/47/22/26/1389472226.db2.gz YSSCZWPGOXYWTE-ZDUSSCGKSA-N 2 2 349.862 3.242 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)cc1O ZINC001330619861 1389472230 /nfs/dbraw/zinc/47/22/30/1389472230.db2.gz YSSCZWPGOXYWTE-ZDUSSCGKSA-N 2 2 349.862 3.242 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1 ZINC001346122435 1390909256 /nfs/dbraw/zinc/90/92/56/1390909256.db2.gz IYEHFDQLLFCIAN-RBUKOAKNSA-N 2 2 339.414 3.166 20 0 EGADLP O[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001351472998 1391642922 /nfs/dbraw/zinc/64/29/22/1391642922.db2.gz CZOBTFBMPQZCMY-OAQYLSRUSA-N 2 2 333.435 3.356 20 0 EGADLP O[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001351472998 1391642924 /nfs/dbraw/zinc/64/29/24/1391642924.db2.gz CZOBTFBMPQZCMY-OAQYLSRUSA-N 2 2 333.435 3.356 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001698853200 1406556916 /nfs/dbraw/zinc/55/69/16/1406556916.db2.gz VKQAYKOWIAKCJO-CZUORRHYSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(F)cc2)c(C)[nH+]1 ZINC001492060033 1396302624 /nfs/dbraw/zinc/30/26/24/1396302624.db2.gz QTNBUXQPGQCFCJ-AWEZNQCLSA-N 2 2 343.446 3.444 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001494082860 1396357292 /nfs/dbraw/zinc/35/72/92/1396357292.db2.gz JZXSEPNHZPXXKV-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001494082860 1396357294 /nfs/dbraw/zinc/35/72/94/1396357294.db2.gz JZXSEPNHZPXXKV-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001699002936 1406818633 /nfs/dbraw/zinc/81/86/33/1406818633.db2.gz NLSSUAFYSXYMEF-AWEZNQCLSA-N 2 2 348.878 3.065 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001699002936 1406818636 /nfs/dbraw/zinc/81/86/36/1406818636.db2.gz NLSSUAFYSXYMEF-AWEZNQCLSA-N 2 2 348.878 3.065 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001497865832 1396864074 /nfs/dbraw/zinc/86/40/74/1396864074.db2.gz UTMKYQVHRDESQB-DLBZAZTESA-N 2 2 342.487 3.262 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193241 1404398591 /nfs/dbraw/zinc/39/85/91/1404398591.db2.gz XEDKYNGCRUUPCU-RTBURBONSA-N 2 2 348.535 3.126 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193241 1404398594 /nfs/dbraw/zinc/39/85/94/1404398594.db2.gz XEDKYNGCRUUPCU-RTBURBONSA-N 2 2 348.535 3.126 20 0 EGADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505753 1404618128 /nfs/dbraw/zinc/61/81/28/1404618128.db2.gz XCAVASOPCZJVOY-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505753 1404618131 /nfs/dbraw/zinc/61/81/31/1404618131.db2.gz XCAVASOPCZJVOY-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CC1CCCCCC1 ZINC001725176329 1425692321 /nfs/dbraw/zinc/69/23/21/1425692321.db2.gz OKMIZHIRYOTXRB-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CC1CCCCCC1 ZINC001725176329 1425692323 /nfs/dbraw/zinc/69/23/23/1425692323.db2.gz OKMIZHIRYOTXRB-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001690855911 1404778756 /nfs/dbraw/zinc/77/87/56/1404778756.db2.gz AJCQUVZRHSKVCW-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP C[C@H](CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001690980828 1404893104 /nfs/dbraw/zinc/89/31/04/1404893104.db2.gz ULSCTTUEOIPJLG-CABCVRRESA-N 2 2 348.878 3.297 20 0 EGADLP C[C@H](CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001690980828 1404893106 /nfs/dbraw/zinc/89/31/06/1404893106.db2.gz ULSCTTUEOIPJLG-CABCVRRESA-N 2 2 348.878 3.297 20 0 EGADLP CC[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001698607903 1406236956 /nfs/dbraw/zinc/23/69/56/1406236956.db2.gz MEZMROJRRKGUJZ-QGZVFWFLSA-N 2 2 348.535 3.054 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001732560362 1428749653 /nfs/dbraw/zinc/74/96/53/1428749653.db2.gz XNVYWXGHACORAR-LPHOPBHVSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001732560362 1428749657 /nfs/dbraw/zinc/74/96/57/1428749657.db2.gz XNVYWXGHACORAR-LPHOPBHVSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001732595436 1428829848 /nfs/dbraw/zinc/82/98/48/1428829848.db2.gz RSXARXFFCFCLEX-SJORKVTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001732595436 1428829853 /nfs/dbraw/zinc/82/98/53/1428829853.db2.gz RSXARXFFCFCLEX-SJORKVTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001732595436 1428829858 /nfs/dbraw/zinc/82/98/58/1428829858.db2.gz RSXARXFFCFCLEX-SJORKVTESA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001732595436 1428829861 /nfs/dbraw/zinc/82/98/61/1428829861.db2.gz RSXARXFFCFCLEX-SJORKVTESA-N 2 2 342.487 3.048 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCn1cc[nH+]c1 ZINC001707046683 1417157760 /nfs/dbraw/zinc/15/77/60/1417157760.db2.gz JPVDUKGFORPRDX-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCn1cc[nH+]c1 ZINC001707046683 1417157762 /nfs/dbraw/zinc/15/77/62/1417157762.db2.gz JPVDUKGFORPRDX-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001713101569 1417655390 /nfs/dbraw/zinc/65/53/90/1417655390.db2.gz WEIYAWDBBFMJFM-INIZCTEOSA-N 2 2 334.508 3.091 20 0 EGADLP CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001713101569 1417655397 /nfs/dbraw/zinc/65/53/97/1417655397.db2.gz WEIYAWDBBFMJFM-INIZCTEOSA-N 2 2 334.508 3.091 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1F ZINC001713319557 1417944503 /nfs/dbraw/zinc/94/45/03/1417944503.db2.gz COJASNNKVHBDBP-QWHCGFSZSA-N 2 2 340.402 3.171 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC001713493727 1418196841 /nfs/dbraw/zinc/19/68/41/1418196841.db2.gz RXGPAMNOOZHRQW-HZPDHXFCSA-N 2 2 346.450 3.173 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)c1ccc(F)cc1 ZINC001713493727 1418196844 /nfs/dbraw/zinc/19/68/44/1418196844.db2.gz RXGPAMNOOZHRQW-HZPDHXFCSA-N 2 2 346.450 3.173 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713925165 1418717539 /nfs/dbraw/zinc/71/75/39/1418717539.db2.gz KCZYWSRJIAAPHT-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004569 1418783630 /nfs/dbraw/zinc/78/36/30/1418783630.db2.gz UDFIHSHTYLWBMJ-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004569 1418783631 /nfs/dbraw/zinc/78/36/31/1418783631.db2.gz UDFIHSHTYLWBMJ-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004569 1418783636 /nfs/dbraw/zinc/78/36/36/1418783636.db2.gz UDFIHSHTYLWBMJ-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004569 1418783644 /nfs/dbraw/zinc/78/36/44/1418783644.db2.gz UDFIHSHTYLWBMJ-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001714080914 1418874706 /nfs/dbraw/zinc/87/47/06/1418874706.db2.gz SUYDNUFJVFIYSM-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714695357 1419474927 /nfs/dbraw/zinc/47/49/27/1419474927.db2.gz QSIJNXSSOYWHNC-JKSUJKDBSA-N 2 2 330.476 3.067 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001714770136 1419500352 /nfs/dbraw/zinc/50/03/52/1419500352.db2.gz BYZSVEUHLKIVTB-OAHLLOKOSA-N 2 2 342.487 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC001714914661 1419664059 /nfs/dbraw/zinc/66/40/59/1419664059.db2.gz WNMZCAIPZMWSTI-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC001714914661 1419664061 /nfs/dbraw/zinc/66/40/61/1419664061.db2.gz WNMZCAIPZMWSTI-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715392371 1420089382 /nfs/dbraw/zinc/08/93/82/1420089382.db2.gz MRMBDDHFIXQBKP-GOSISDBHSA-N 2 2 342.487 3.262 20 0 EGADLP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715392373 1420089846 /nfs/dbraw/zinc/08/98/46/1420089846.db2.gz MRMBDDHFIXQBKP-SFHVURJKSA-N 2 2 342.487 3.262 20 0 EGADLP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030961 1420489605 /nfs/dbraw/zinc/48/96/05/1420489605.db2.gz YWHICCNHULDBJJ-HUUCEWRRSA-N 2 2 336.439 3.374 20 0 EGADLP C[C@H](C[N@@H+](C)[C@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030961 1420489609 /nfs/dbraw/zinc/48/96/09/1420489609.db2.gz YWHICCNHULDBJJ-HUUCEWRRSA-N 2 2 336.439 3.374 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672923 1420829283 /nfs/dbraw/zinc/82/92/83/1420829283.db2.gz HVMHRQNJTNARFM-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672923 1420829285 /nfs/dbraw/zinc/82/92/85/1420829285.db2.gz HVMHRQNJTNARFM-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001717042858 1421097248 /nfs/dbraw/zinc/09/72/48/1421097248.db2.gz JOLUZIQDJDPLLM-FUHWJXTLSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001717042858 1421097251 /nfs/dbraw/zinc/09/72/51/1421097251.db2.gz JOLUZIQDJDPLLM-FUHWJXTLSA-N 2 2 346.519 3.010 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001717281845 1421233343 /nfs/dbraw/zinc/23/33/43/1421233343.db2.gz RYNDZMLXPIZXKD-SCLBCKFNSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCC1 ZINC001717338988 1421276909 /nfs/dbraw/zinc/27/69/09/1421276909.db2.gz HPKDTROMSXWANA-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC1CCC1 ZINC001717338988 1421276912 /nfs/dbraw/zinc/27/69/12/1421276912.db2.gz HPKDTROMSXWANA-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001723928470 1424606180 /nfs/dbraw/zinc/60/61/80/1424606180.db2.gz SAFICKBEANXNBY-VGOKWCNXSA-N 2 2 340.471 3.275 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001725176419 1425693959 /nfs/dbraw/zinc/69/39/59/1425693959.db2.gz PDBHJQDPLPDKEP-JKSUJKDBSA-N 2 2 336.439 3.146 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001725176419 1425693962 /nfs/dbraw/zinc/69/39/62/1425693962.db2.gz PDBHJQDPLPDKEP-JKSUJKDBSA-N 2 2 336.439 3.146 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001725515912 1426206274 /nfs/dbraw/zinc/20/62/74/1426206274.db2.gz ONSDJRFVMZOEKO-HNNXBMFYSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)c1 ZINC001725749161 1426427702 /nfs/dbraw/zinc/42/77/02/1426427702.db2.gz BGXVKCFVVSHFPN-YJBOKZPZSA-N 2 2 342.487 3.142 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731501853 1427483583 /nfs/dbraw/zinc/48/35/83/1427483583.db2.gz JYEVCFBRLYVXRY-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731501853 1427483584 /nfs/dbraw/zinc/48/35/84/1427483584.db2.gz JYEVCFBRLYVXRY-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731501853 1427483587 /nfs/dbraw/zinc/48/35/87/1427483587.db2.gz JYEVCFBRLYVXRY-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731501853 1427483588 /nfs/dbraw/zinc/48/35/88/1427483588.db2.gz JYEVCFBRLYVXRY-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP CCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001752440483 1440181184 /nfs/dbraw/zinc/18/11/84/1440181184.db2.gz XYQZNLSXSAEHTO-QZTJIDSGSA-N 2 2 346.519 3.027 20 0 EGADLP CCCCC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001752850454 1440233451 /nfs/dbraw/zinc/23/34/51/1440233451.db2.gz UBNNVFRDEXGFFZ-UHFFFAOYSA-N 2 2 342.487 3.464 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001752890665 1440240887 /nfs/dbraw/zinc/24/08/87/1440240887.db2.gz RWKYKOPJZCKDDV-HNNXBMFYSA-N 2 2 328.460 3.016 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999259 1440263714 /nfs/dbraw/zinc/26/37/14/1440263714.db2.gz WQZWNYCEFDTQPI-FUHWJXTLSA-N 2 2 334.508 3.193 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999259 1440263715 /nfs/dbraw/zinc/26/37/15/1440263715.db2.gz WQZWNYCEFDTQPI-FUHWJXTLSA-N 2 2 334.508 3.193 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001753000480 1440264337 /nfs/dbraw/zinc/26/43/37/1440264337.db2.gz GJCHRQSDRSYSIV-SFHVURJKSA-N 2 2 334.508 3.022 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001753000480 1440264338 /nfs/dbraw/zinc/26/43/38/1440264338.db2.gz GJCHRQSDRSYSIV-SFHVURJKSA-N 2 2 334.508 3.022 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001753009599 1440266640 /nfs/dbraw/zinc/26/66/40/1440266640.db2.gz NJJDWWCXOVKSHC-LLVKDONJSA-N 2 2 331.382 3.057 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001753027461 1440271878 /nfs/dbraw/zinc/27/18/78/1440271878.db2.gz LCPQOSAELMLCES-IBGZPJMESA-N 2 2 344.503 3.204 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001753027461 1440271879 /nfs/dbraw/zinc/27/18/79/1440271879.db2.gz LCPQOSAELMLCES-IBGZPJMESA-N 2 2 344.503 3.204 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001753027461 1440271880 /nfs/dbraw/zinc/27/18/80/1440271880.db2.gz LCPQOSAELMLCES-IBGZPJMESA-N 2 2 344.503 3.204 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001753027461 1440271881 /nfs/dbraw/zinc/27/18/81/1440271881.db2.gz LCPQOSAELMLCES-IBGZPJMESA-N 2 2 344.503 3.204 20 0 EGADLP C[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753056856 1440281750 /nfs/dbraw/zinc/28/17/50/1440281750.db2.gz DDYPHUQRTUMPRD-YHYXMXQVSA-N 2 2 348.450 3.099 20 0 EGADLP C[N@H+](CC/C=C\c1ccccc1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753056856 1440281751 /nfs/dbraw/zinc/28/17/51/1440281751.db2.gz DDYPHUQRTUMPRD-YHYXMXQVSA-N 2 2 348.450 3.099 20 0 EGADLP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001753251868 1440343126 /nfs/dbraw/zinc/34/31/26/1440343126.db2.gz CKVHNKHROCUMMM-ZDUSSCGKSA-N 2 2 348.878 3.150 20 0 EGADLP CC[C@@H](F)C[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001753503722 1440424017 /nfs/dbraw/zinc/42/40/17/1440424017.db2.gz QJGNUCXINBRASG-MRXNPFEDSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001753669354 1440461309 /nfs/dbraw/zinc/46/13/09/1440461309.db2.gz OSRCJSIMQGHXAS-HNNXBMFYSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001753669354 1440461310 /nfs/dbraw/zinc/46/13/10/1440461310.db2.gz OSRCJSIMQGHXAS-HNNXBMFYSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)C1 ZINC001753669573 1440461479 /nfs/dbraw/zinc/46/14/79/1440461479.db2.gz WXCHGZXWYZGKKA-SJORKVTESA-N 2 2 346.519 3.187 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001753796336 1440489863 /nfs/dbraw/zinc/48/98/63/1440489863.db2.gz JTXFPTNZDDMRFA-SJLPKXTDSA-N 2 2 331.504 3.493 20 0 EGADLP CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CCCC1 ZINC001753832272 1440500022 /nfs/dbraw/zinc/50/00/22/1440500022.db2.gz KTXWHDMNPZXXAN-IBGZPJMESA-N 2 2 342.487 3.487 20 0 EGADLP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001753874461 1440518689 /nfs/dbraw/zinc/51/86/89/1440518689.db2.gz FDSBGDNNCZFFTA-UHFFFAOYSA-N 2 2 334.508 3.048 20 0 EGADLP CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001753874461 1440518690 /nfs/dbraw/zinc/51/86/90/1440518690.db2.gz FDSBGDNNCZFFTA-UHFFFAOYSA-N 2 2 334.508 3.048 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001754230136 1440554013 /nfs/dbraw/zinc/55/40/13/1440554013.db2.gz HAQQOFGFOZFWRK-AEFFLSMTSA-N 2 2 346.519 3.145 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001754345084 1440589591 /nfs/dbraw/zinc/58/95/91/1440589591.db2.gz HWFTZLCXHXNWBU-OALUTQOASA-N 2 2 344.503 3.038 20 0 EGADLP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754797639 1440689871 /nfs/dbraw/zinc/68/98/71/1440689871.db2.gz RSVIQDVUDULDET-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029783 1440730744 /nfs/dbraw/zinc/73/07/44/1440730744.db2.gz QKKLRJYUDCZARE-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029783 1440730745 /nfs/dbraw/zinc/73/07/45/1440730745.db2.gz QKKLRJYUDCZARE-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029783 1440730746 /nfs/dbraw/zinc/73/07/46/1440730746.db2.gz QKKLRJYUDCZARE-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029783 1440730747 /nfs/dbraw/zinc/73/07/47/1440730747.db2.gz QKKLRJYUDCZARE-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@H+](C)CC2=CCCCC2)c[nH+]1 ZINC001755039549 1440736437 /nfs/dbraw/zinc/73/64/37/1440736437.db2.gz UGFWUJGEQCMQOW-UHFFFAOYSA-N 2 2 346.519 3.207 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@@H+](C)CC2=CCCCC2)c[nH+]1 ZINC001755039549 1440736438 /nfs/dbraw/zinc/73/64/38/1440736438.db2.gz UGFWUJGEQCMQOW-UHFFFAOYSA-N 2 2 346.519 3.207 20 0 EGADLP CCC1([NH2+]CCC2CCCCC2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001755071659 1440746739 /nfs/dbraw/zinc/74/67/39/1440746739.db2.gz CCJHXTNNYKVSPN-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP CCC1([NH2+]CC2CCCCCC2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001755072949 1440747211 /nfs/dbraw/zinc/74/72/11/1440747211.db2.gz ZQHFGVXNITVTMK-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cccnc2C)c(C)[nH+]1 ZINC001755246082 1440790673 /nfs/dbraw/zinc/79/06/73/1440790673.db2.gz KMKUNHROKMDXPJ-HUUCEWRRSA-N 2 2 340.471 3.007 20 0 EGADLP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001755319321 1440817608 /nfs/dbraw/zinc/81/76/08/1440817608.db2.gz QKADJBGMBGSMTD-IRXDYDNUSA-N 2 2 348.535 3.487 20 0 EGADLP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001755319321 1440817609 /nfs/dbraw/zinc/81/76/09/1440817609.db2.gz QKADJBGMBGSMTD-IRXDYDNUSA-N 2 2 348.535 3.487 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001755614808 1440888416 /nfs/dbraw/zinc/88/84/16/1440888416.db2.gz SBOMAVIBEDOTTC-STQMWFEESA-N 2 2 348.878 3.112 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000368569572 168374906 /nfs/dbraw/zinc/37/49/06/168374906.db2.gz MVJPDHJVHXZTLP-CQSZACIVSA-N 2 2 333.867 3.162 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000368569572 168374908 /nfs/dbraw/zinc/37/49/08/168374908.db2.gz MVJPDHJVHXZTLP-CQSZACIVSA-N 2 2 333.867 3.162 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594131 230981247 /nfs/dbraw/zinc/98/12/47/230981247.db2.gz MJVPFKJXEBOFSA-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594131 230981249 /nfs/dbraw/zinc/98/12/49/230981249.db2.gz MJVPFKJXEBOFSA-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000187902378 282220713 /nfs/dbraw/zinc/22/07/13/282220713.db2.gz RFMGIKPPXQQEHY-CVEARBPZSA-N 2 2 330.501 3.409 20 0 EGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187902378 282220714 /nfs/dbraw/zinc/22/07/14/282220714.db2.gz RFMGIKPPXQQEHY-CVEARBPZSA-N 2 2 330.501 3.409 20 0 EGADLP CCc1ccc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCO2)cc1 ZINC000191669230 529729144 /nfs/dbraw/zinc/72/91/44/529729144.db2.gz BHEKRZIIKNZWIK-HXUWFJFHSA-N 2 2 348.450 3.403 20 0 EGADLP CCc1ccc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCO2)cc1 ZINC000191669230 529729145 /nfs/dbraw/zinc/72/91/45/529729145.db2.gz BHEKRZIIKNZWIK-HXUWFJFHSA-N 2 2 348.450 3.403 20 0 EGADLP C[C@H]1CCC[C@@](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)([NH+](C)C)C1 ZINC000129428951 223055459 /nfs/dbraw/zinc/05/54/59/223055459.db2.gz YFTUUYQWKIHGKQ-FXAWDEMLSA-N 3 2 330.520 3.151 20 0 EGADLP COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000130959036 223191101 /nfs/dbraw/zinc/19/11/01/223191101.db2.gz UZYAABDVAJWTRR-QGZVFWFLSA-N 2 2 338.411 3.344 20 0 EGADLP COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000130959036 223191103 /nfs/dbraw/zinc/19/11/03/223191103.db2.gz UZYAABDVAJWTRR-QGZVFWFLSA-N 2 2 338.411 3.344 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858454 216317969 /nfs/dbraw/zinc/31/79/69/216317969.db2.gz RRXZPDJQDVMTID-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858454 216317971 /nfs/dbraw/zinc/31/79/71/216317971.db2.gz RRXZPDJQDVMTID-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858454 216317973 /nfs/dbraw/zinc/31/79/73/216317973.db2.gz RRXZPDJQDVMTID-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000072858454 216317975 /nfs/dbraw/zinc/31/79/75/216317975.db2.gz RRXZPDJQDVMTID-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000229957729 242219958 /nfs/dbraw/zinc/21/99/58/242219958.db2.gz QWOGFXPDWIVEAT-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000229957729 242219964 /nfs/dbraw/zinc/21/99/64/242219964.db2.gz QWOGFXPDWIVEAT-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000229957729 242219967 /nfs/dbraw/zinc/21/99/67/242219967.db2.gz QWOGFXPDWIVEAT-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000229957729 242219972 /nfs/dbraw/zinc/21/99/72/242219972.db2.gz QWOGFXPDWIVEAT-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000230048015 242224611 /nfs/dbraw/zinc/22/46/11/242224611.db2.gz KLPYSQSHAQOUMX-SLEUVZQESA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(Br)c3)C[C@@H]21 ZINC000230048015 242224616 /nfs/dbraw/zinc/22/46/16/242224616.db2.gz KLPYSQSHAQOUMX-SLEUVZQESA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000230046678 242225099 /nfs/dbraw/zinc/22/50/99/242225099.db2.gz MMXABYFBSLXGOK-BYCMXARLSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000230046678 242225101 /nfs/dbraw/zinc/22/51/01/242225101.db2.gz MMXABYFBSLXGOK-BYCMXARLSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1)c1ccc(Cl)cc1Cl ZINC000342115451 296118644 /nfs/dbraw/zinc/11/86/44/296118644.db2.gz XRBQRPXYXZBLPO-GHMZBOCLSA-N 2 2 344.286 3.030 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000264326703 246355730 /nfs/dbraw/zinc/35/57/30/246355730.db2.gz RLBYKFPLJGWUDM-LJQANCHMSA-N 2 2 336.439 3.034 20 0 EGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)c1[nH+]cnc2[nH]ccc21 ZINC000266221151 248184129 /nfs/dbraw/zinc/18/41/29/248184129.db2.gz QOMIPARHFOQKMB-UHFFFAOYSA-N 2 2 336.443 3.096 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633578 169052664 /nfs/dbraw/zinc/05/26/64/169052664.db2.gz VKRLCCUDPBAKNS-HHXXYDBFSA-N 2 2 331.504 3.003 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633578 169052667 /nfs/dbraw/zinc/05/26/67/169052667.db2.gz VKRLCCUDPBAKNS-HHXXYDBFSA-N 2 2 331.504 3.003 20 0 EGADLP Clc1nc2ccccn2c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066239 218113554 /nfs/dbraw/zinc/11/35/54/218113554.db2.gz DHCZQZXOXXWHOB-ZBFHGGJFSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1nc2ccccn2c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066239 218113555 /nfs/dbraw/zinc/11/35/55/218113555.db2.gz DHCZQZXOXXWHOB-ZBFHGGJFSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1nc2ccccn2c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066239 218113556 /nfs/dbraw/zinc/11/35/56/218113556.db2.gz DHCZQZXOXXWHOB-ZBFHGGJFSA-N 2 2 344.890 3.436 20 0 EGADLP Clc1nc2ccccn2c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066239 218113558 /nfs/dbraw/zinc/11/35/58/218113558.db2.gz DHCZQZXOXXWHOB-ZBFHGGJFSA-N 2 2 344.890 3.436 20 0 EGADLP COc1sc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000092253510 218130960 /nfs/dbraw/zinc/13/09/60/218130960.db2.gz QNAADSSLNCEGCJ-NSHDSACASA-N 2 2 347.322 3.293 20 0 EGADLP COc1sc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000092253510 218130962 /nfs/dbraw/zinc/13/09/62/218130962.db2.gz QNAADSSLNCEGCJ-NSHDSACASA-N 2 2 347.322 3.293 20 0 EGADLP COc1sc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000092253510 218130965 /nfs/dbraw/zinc/13/09/65/218130965.db2.gz QNAADSSLNCEGCJ-NSHDSACASA-N 2 2 347.322 3.293 20 0 EGADLP COc1sc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000092253510 218130967 /nfs/dbraw/zinc/13/09/67/218130967.db2.gz QNAADSSLNCEGCJ-NSHDSACASA-N 2 2 347.322 3.293 20 0 EGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1OC ZINC000092659284 218157728 /nfs/dbraw/zinc/15/77/28/218157728.db2.gz TWBUCAXVLBUOOF-UHFFFAOYSA-N 2 2 335.835 3.391 20 0 EGADLP CCn1nc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336841 218216022 /nfs/dbraw/zinc/21/60/22/218216022.db2.gz SVAGVAMWBIBHJN-HXUWFJFHSA-N 2 2 340.515 3.474 20 0 EGADLP CCn1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336841 218216026 /nfs/dbraw/zinc/21/60/26/218216026.db2.gz SVAGVAMWBIBHJN-HXUWFJFHSA-N 2 2 340.515 3.474 20 0 EGADLP CCn1nc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093336841 218216030 /nfs/dbraw/zinc/21/60/30/218216030.db2.gz SVAGVAMWBIBHJN-HXUWFJFHSA-N 2 2 340.515 3.474 20 0 EGADLP CCn1nc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093336841 218216033 /nfs/dbraw/zinc/21/60/33/218216033.db2.gz SVAGVAMWBIBHJN-HXUWFJFHSA-N 2 2 340.515 3.474 20 0 EGADLP CC[NH+](CC)C[C@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000093693331 218242485 /nfs/dbraw/zinc/24/24/85/218242485.db2.gz SUJDPMFDOCARQN-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093693331 218242486 /nfs/dbraw/zinc/24/24/86/218242486.db2.gz SUJDPMFDOCARQN-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093693331 218242487 /nfs/dbraw/zinc/24/24/87/218242487.db2.gz SUJDPMFDOCARQN-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451756 251070093 /nfs/dbraw/zinc/07/00/93/251070093.db2.gz RRMGBYHLNDATTB-JKSUJKDBSA-N 2 2 326.444 3.031 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451756 251070099 /nfs/dbraw/zinc/07/00/99/251070099.db2.gz RRMGBYHLNDATTB-JKSUJKDBSA-N 2 2 326.444 3.031 20 0 EGADLP Fc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000268752274 252203237 /nfs/dbraw/zinc/20/32/37/252203237.db2.gz CPBIDOCVVGVTCN-OAQYLSRUSA-N 2 2 340.442 3.435 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Cl)c1 ZINC000268794371 252245570 /nfs/dbraw/zinc/24/55/70/252245570.db2.gz FDEHAGQOIKHYAQ-OLZOCXBDSA-N 2 2 344.850 3.165 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268839240 252287157 /nfs/dbraw/zinc/28/71/57/252287157.db2.gz HQVNTTYHGYLYPP-UHFFFAOYSA-N 3 2 344.478 3.017 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000268839836 252287330 /nfs/dbraw/zinc/28/73/30/252287330.db2.gz VGEKPQLGMATYSJ-LBPRGKRZSA-N 2 2 344.850 3.085 20 0 EGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268846193 252294569 /nfs/dbraw/zinc/29/45/69/252294569.db2.gz BONYGGUHHCSQFI-HOTGVXAUSA-N 2 2 341.952 3.046 20 0 EGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268846193 252294571 /nfs/dbraw/zinc/29/45/71/252294571.db2.gz BONYGGUHHCSQFI-HOTGVXAUSA-N 2 2 341.952 3.046 20 0 EGADLP CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268852674 252300107 /nfs/dbraw/zinc/30/01/07/252300107.db2.gz CIRJZWCRIQSQGZ-PKOBYXMFSA-N 2 2 333.520 3.152 20 0 EGADLP CCCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268852674 252300112 /nfs/dbraw/zinc/30/01/12/252300112.db2.gz CIRJZWCRIQSQGZ-PKOBYXMFSA-N 2 2 333.520 3.152 20 0 EGADLP C[NH+]1CCC(CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112633062 220361349 /nfs/dbraw/zinc/36/13/49/220361349.db2.gz KKCNDPHPFCFQTI-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP CCO[C@H](CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(C)C ZINC000119765473 221394649 /nfs/dbraw/zinc/39/46/49/221394649.db2.gz MARFUGWQELHUGA-MRXNPFEDSA-N 2 2 340.431 3.074 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000119834601 221413120 /nfs/dbraw/zinc/41/31/20/221413120.db2.gz OARJPRGSSJMKLQ-CYBMUJFWSA-N 2 2 345.409 3.354 20 0 EGADLP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181098287 533259056 /nfs/dbraw/zinc/25/90/56/533259056.db2.gz LOECDTDEXSHRNT-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181098287 533259061 /nfs/dbraw/zinc/25/90/61/533259061.db2.gz LOECDTDEXSHRNT-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP CCN(C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246841710 141038658 /nfs/dbraw/zinc/03/86/58/141038658.db2.gz KABXDXOSBQEWDD-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246841710 141038659 /nfs/dbraw/zinc/03/86/59/141038659.db2.gz KABXDXOSBQEWDD-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246841710 141038660 /nfs/dbraw/zinc/03/86/60/141038660.db2.gz KABXDXOSBQEWDD-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246841710 141038661 /nfs/dbraw/zinc/03/86/61/141038661.db2.gz KABXDXOSBQEWDD-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000344477572 141160933 /nfs/dbraw/zinc/16/09/33/141160933.db2.gz HGAHQFWBDBXCGC-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000344477572 141160935 /nfs/dbraw/zinc/16/09/35/141160935.db2.gz HGAHQFWBDBXCGC-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000344477572 141160937 /nfs/dbraw/zinc/16/09/37/141160937.db2.gz HGAHQFWBDBXCGC-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000344477572 141160940 /nfs/dbraw/zinc/16/09/40/141160940.db2.gz HGAHQFWBDBXCGC-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnn(-c3ccc(F)cc3)c1)CCC2 ZINC000344528901 141169298 /nfs/dbraw/zinc/16/92/98/141169298.db2.gz BGJSRMSTKMJNRK-MRXNPFEDSA-N 2 2 339.418 3.184 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000348041566 141235817 /nfs/dbraw/zinc/23/58/17/141235817.db2.gz HUWLDBHICABBKZ-SFHVURJKSA-N 2 2 332.488 3.326 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000348041566 141235818 /nfs/dbraw/zinc/23/58/18/141235818.db2.gz HUWLDBHICABBKZ-SFHVURJKSA-N 2 2 332.488 3.326 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000348041566 141235819 /nfs/dbraw/zinc/23/58/19/141235819.db2.gz HUWLDBHICABBKZ-SFHVURJKSA-N 2 2 332.488 3.326 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000348041566 141235820 /nfs/dbraw/zinc/23/58/20/141235820.db2.gz HUWLDBHICABBKZ-SFHVURJKSA-N 2 2 332.488 3.326 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353353293 141293157 /nfs/dbraw/zinc/29/31/57/141293157.db2.gz PSXMYFWBJLKSTK-GASCZTMLSA-N 2 2 343.475 3.212 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353353293 141293158 /nfs/dbraw/zinc/29/31/58/141293158.db2.gz PSXMYFWBJLKSTK-GASCZTMLSA-N 2 2 343.475 3.212 20 0 EGADLP Cc1ccc(CCC[NH2+]CCOc2cccc(C(F)(F)F)n2)c[nH+]1 ZINC000354561769 141307142 /nfs/dbraw/zinc/30/71/42/141307142.db2.gz FAUMTSUVZADLPA-UHFFFAOYSA-N 2 2 339.361 3.405 20 0 EGADLP C[N@H+](Cc1cn2ccsc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268813 144019015 /nfs/dbraw/zinc/01/90/15/144019015.db2.gz JDJQXGFDKABEKV-UHFFFAOYSA-N 2 2 340.496 3.492 20 0 EGADLP C[N@@H+](Cc1cn2ccsc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268813 144019018 /nfs/dbraw/zinc/01/90/18/144019018.db2.gz JDJQXGFDKABEKV-UHFFFAOYSA-N 2 2 340.496 3.492 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173642848 144045834 /nfs/dbraw/zinc/04/58/34/144045834.db2.gz DKIZQCHZECJPCT-HKUYNNGSSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173642848 144045835 /nfs/dbraw/zinc/04/58/35/144045835.db2.gz DKIZQCHZECJPCT-HKUYNNGSSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173642848 144045837 /nfs/dbraw/zinc/04/58/37/144045837.db2.gz DKIZQCHZECJPCT-HKUYNNGSSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173642848 144045839 /nfs/dbraw/zinc/04/58/39/144045839.db2.gz DKIZQCHZECJPCT-HKUYNNGSSA-N 2 2 347.503 3.219 20 0 EGADLP Clc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000178437833 144071730 /nfs/dbraw/zinc/07/17/30/144071730.db2.gz BYXNJUXYCTUEBJ-SFHVURJKSA-N 2 2 333.907 3.131 20 0 EGADLP Clc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000178437833 144071732 /nfs/dbraw/zinc/07/17/32/144071732.db2.gz BYXNJUXYCTUEBJ-SFHVURJKSA-N 2 2 333.907 3.131 20 0 EGADLP Fc1ccc(-c2n[nH]cc2CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351546324 144276839 /nfs/dbraw/zinc/27/68/39/144276839.db2.gz QQNAKUMQMFJDMZ-UHFFFAOYSA-N 2 2 348.385 3.468 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351566107 144280545 /nfs/dbraw/zinc/28/05/45/144280545.db2.gz DYVNXQVHGXIKIL-UHFFFAOYSA-N 2 2 344.422 3.433 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000351732953 144298481 /nfs/dbraw/zinc/29/84/81/144298481.db2.gz WUESLURBRGNPMV-SFHVURJKSA-N 2 2 344.528 3.396 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)n21 ZINC000352288334 144323181 /nfs/dbraw/zinc/32/31/81/144323181.db2.gz ZUORDPKMBIOOPY-BZSNNMDCSA-N 2 2 326.488 3.480 20 0 EGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363782283 144365918 /nfs/dbraw/zinc/36/59/18/144365918.db2.gz KNAINJMJLLBLPD-VBQJREDUSA-N 2 2 336.863 3.007 20 0 EGADLP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341121728 155170778 /nfs/dbraw/zinc/17/07/78/155170778.db2.gz FOWRRARRAMVOKC-CQSZACIVSA-N 2 2 343.406 3.079 20 0 EGADLP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341121728 155170783 /nfs/dbraw/zinc/17/07/83/155170783.db2.gz FOWRRARRAMVOKC-CQSZACIVSA-N 2 2 343.406 3.079 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC000116262028 152053370 /nfs/dbraw/zinc/05/33/70/152053370.db2.gz JDFHASDUWFRBIK-RHSMWYFYSA-N 2 2 332.492 3.211 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC000116262028 152053374 /nfs/dbraw/zinc/05/33/74/152053374.db2.gz JDFHASDUWFRBIK-RHSMWYFYSA-N 2 2 332.492 3.211 20 0 EGADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)sc1C ZINC000116396090 152056915 /nfs/dbraw/zinc/05/69/15/152056915.db2.gz IMWQVFBXODIYMJ-GXTWGEPZSA-N 2 2 340.537 3.043 20 0 EGADLP C[NH+]1CCC(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000117007567 152084004 /nfs/dbraw/zinc/08/40/04/152084004.db2.gz SKOIACGBJBTDFY-UHFFFAOYSA-N 2 2 340.427 3.337 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000117383474 152095938 /nfs/dbraw/zinc/09/59/38/152095938.db2.gz XNRNFNKPFXWCNM-HZPDHXFCSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000118759069 152150247 /nfs/dbraw/zinc/15/02/47/152150247.db2.gz QXFUQZHJANUBOH-UHFFFAOYSA-N 2 2 348.450 3.172 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)C[N@@H+]1C1CC1 ZINC000119619386 152217977 /nfs/dbraw/zinc/21/79/77/152217977.db2.gz MNGARXQFZGQIEG-NVXWUHKLSA-N 2 2 325.456 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCOc2cccc3cccnc32)C[N@H+]1C1CC1 ZINC000119619386 152217981 /nfs/dbraw/zinc/21/79/81/152217981.db2.gz MNGARXQFZGQIEG-NVXWUHKLSA-N 2 2 325.456 3.219 20 0 EGADLP CC(C)(C)c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000121874193 152375651 /nfs/dbraw/zinc/37/56/51/152375651.db2.gz IRDLZEPYCWJDKO-UHFFFAOYSA-N 2 2 334.508 3.455 20 0 EGADLP Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000192607594 153250756 /nfs/dbraw/zinc/25/07/56/153250756.db2.gz SUIGKKZXDXTWQI-WMZOPIPTSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000192607594 153250759 /nfs/dbraw/zinc/25/07/59/153250759.db2.gz SUIGKKZXDXTWQI-WMZOPIPTSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192607594 153250763 /nfs/dbraw/zinc/25/07/63/153250763.db2.gz SUIGKKZXDXTWQI-WMZOPIPTSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192607594 153250765 /nfs/dbraw/zinc/25/07/65/153250765.db2.gz SUIGKKZXDXTWQI-WMZOPIPTSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1ccc([C@@H](CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000195011046 153370793 /nfs/dbraw/zinc/37/07/93/153370793.db2.gz FOAYKANJSPVLMT-RTBURBONSA-N 2 2 335.455 3.095 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000303959604 154060746 /nfs/dbraw/zinc/06/07/46/154060746.db2.gz YXCCCAPSRBUVDX-IBGZPJMESA-N 2 2 349.563 3.077 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000303959604 154060751 /nfs/dbraw/zinc/06/07/51/154060751.db2.gz YXCCCAPSRBUVDX-IBGZPJMESA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000311228774 154146830 /nfs/dbraw/zinc/14/68/30/154146830.db2.gz YTPGEDVSMMMDKX-SFHVURJKSA-N 2 2 334.467 3.482 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000311228774 154146834 /nfs/dbraw/zinc/14/68/34/154146834.db2.gz YTPGEDVSMMMDKX-SFHVURJKSA-N 2 2 334.467 3.482 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000336813852 154213471 /nfs/dbraw/zinc/21/34/71/154213471.db2.gz VRMUAAXNWOLQNL-AAEUAGOBSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000336813852 154213476 /nfs/dbraw/zinc/21/34/76/154213476.db2.gz VRMUAAXNWOLQNL-AAEUAGOBSA-N 2 2 327.266 3.030 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000337349382 154299355 /nfs/dbraw/zinc/29/93/55/154299355.db2.gz PLKISJDCXWUJJN-QGZVFWFLSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000337349382 154299357 /nfs/dbraw/zinc/29/93/57/154299357.db2.gz PLKISJDCXWUJJN-QGZVFWFLSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)oc1C ZINC000337452768 154361162 /nfs/dbraw/zinc/36/11/62/154361162.db2.gz IKSAWBKCUQHTRB-OXQOHEQNSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)oc1C ZINC000337452768 154361171 /nfs/dbraw/zinc/36/11/71/154361171.db2.gz IKSAWBKCUQHTRB-OXQOHEQNSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)nn1C ZINC000337493058 154381481 /nfs/dbraw/zinc/38/14/81/154381481.db2.gz XGQPIEQWHGWPGN-UTKZUKDTSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)nn1C ZINC000337493058 154381486 /nfs/dbraw/zinc/38/14/86/154381486.db2.gz XGQPIEQWHGWPGN-UTKZUKDTSA-N 2 2 340.515 3.462 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000337507698 154389253 /nfs/dbraw/zinc/38/92/53/154389253.db2.gz GIWMJTCOQAJHLC-UHFFFAOYSA-N 2 2 330.476 3.161 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)[C@@H](C[NH3+])C1 ZINC000346858715 156165830 /nfs/dbraw/zinc/16/58/30/156165830.db2.gz YJLNMSDELFPULR-KGLIPLIRSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)[C@@H](C[NH3+])C1 ZINC000346858715 156165836 /nfs/dbraw/zinc/16/58/36/156165836.db2.gz YJLNMSDELFPULR-KGLIPLIRSA-N 2 2 334.460 3.492 20 0 EGADLP CC(C)n1cc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000346950677 156211150 /nfs/dbraw/zinc/21/11/50/156211150.db2.gz TXCLDYVIDWJKDL-QAPCUYQASA-N 2 2 342.491 3.172 20 0 EGADLP FC(F)(F)c1cccc([C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983907 156230162 /nfs/dbraw/zinc/23/01/62/156230162.db2.gz OEOPLFZJZRIBJV-CZUORRHYSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1cccc([C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983907 156230163 /nfs/dbraw/zinc/23/01/63/156230163.db2.gz OEOPLFZJZRIBJV-CZUORRHYSA-N 2 2 328.378 3.078 20 0 EGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)s2)o1 ZINC000349123952 156361471 /nfs/dbraw/zinc/36/14/71/156361471.db2.gz ABZZJLKSDCSFNM-CYBMUJFWSA-N 2 2 328.441 3.435 20 0 EGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)s2)o1 ZINC000349123952 156361476 /nfs/dbraw/zinc/36/14/76/156361476.db2.gz ABZZJLKSDCSFNM-CYBMUJFWSA-N 2 2 328.441 3.435 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401985 157113687 /nfs/dbraw/zinc/11/36/87/157113687.db2.gz HXHYNGGXTUQXDD-MOPGFXCFSA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401985 157113690 /nfs/dbraw/zinc/11/36/90/157113690.db2.gz HXHYNGGXTUQXDD-MOPGFXCFSA-N 2 2 331.504 3.060 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365407352 157115071 /nfs/dbraw/zinc/11/50/71/157115071.db2.gz ZZKWMZCQLBFIMR-HNNXBMFYSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365407352 157115072 /nfs/dbraw/zinc/11/50/72/157115072.db2.gz ZZKWMZCQLBFIMR-HNNXBMFYSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405317 157115207 /nfs/dbraw/zinc/11/52/07/157115207.db2.gz SMPOKEBDAQTZLH-GOEBONIOSA-N 2 2 344.459 3.222 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405317 157115208 /nfs/dbraw/zinc/11/52/08/157115208.db2.gz SMPOKEBDAQTZLH-GOEBONIOSA-N 2 2 344.459 3.222 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000365623326 157193006 /nfs/dbraw/zinc/19/30/06/157193006.db2.gz GDVXXELCKCQPMC-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000365623326 157193009 /nfs/dbraw/zinc/19/30/09/157193009.db2.gz GDVXXELCKCQPMC-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000093659933 162019978 /nfs/dbraw/zinc/01/99/78/162019978.db2.gz YIXZGUMZTWJISM-LJQANCHMSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000093659933 162019979 /nfs/dbraw/zinc/01/99/79/162019979.db2.gz YIXZGUMZTWJISM-LJQANCHMSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000093659933 162019980 /nfs/dbraw/zinc/01/99/80/162019980.db2.gz YIXZGUMZTWJISM-LJQANCHMSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000093659933 162019981 /nfs/dbraw/zinc/01/99/81/162019981.db2.gz YIXZGUMZTWJISM-LJQANCHMSA-N 2 2 326.488 3.487 20 0 EGADLP CC1CCC(N(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)C2CC2)CC1 ZINC000109795106 162111378 /nfs/dbraw/zinc/11/13/78/162111378.db2.gz CWRPJSWTWUIYNB-UHFFFAOYSA-N 2 2 344.503 3.090 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111244201 162149343 /nfs/dbraw/zinc/14/93/43/162149343.db2.gz UPGAUMFLWZFSIP-MRXNPFEDSA-N 2 2 326.444 3.164 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000125970192 162290620 /nfs/dbraw/zinc/29/06/20/162290620.db2.gz SZYAFEFTXKDPKB-ZJOUEHCJSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000125970192 162290621 /nfs/dbraw/zinc/29/06/21/162290621.db2.gz SZYAFEFTXKDPKB-ZJOUEHCJSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000125970192 162290625 /nfs/dbraw/zinc/29/06/25/162290625.db2.gz SZYAFEFTXKDPKB-ZJOUEHCJSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000125970192 162290627 /nfs/dbraw/zinc/29/06/27/162290627.db2.gz SZYAFEFTXKDPKB-ZJOUEHCJSA-N 3 2 344.547 3.002 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)ccc1Cl ZINC000337248004 163179503 /nfs/dbraw/zinc/17/95/03/163179503.db2.gz KWSUPFUCUGKZLM-UHFFFAOYSA-N 2 2 328.803 3.302 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000343924303 164067404 /nfs/dbraw/zinc/06/74/04/164067404.db2.gz HMNDXJLIFDXRND-ZDUSSCGKSA-N 2 2 328.378 3.169 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2cccnc2)C1 ZINC000344297514 164149103 /nfs/dbraw/zinc/14/91/03/164149103.db2.gz MCDRTUITBJNALF-RCOXNQKVSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2c2cccnc2)C1 ZINC000344297514 164149105 /nfs/dbraw/zinc/14/91/05/164149105.db2.gz MCDRTUITBJNALF-RCOXNQKVSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000345977044 164307384 /nfs/dbraw/zinc/30/73/84/164307384.db2.gz JJIGPQRABBWDCX-QGZVFWFLSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000345977044 164307386 /nfs/dbraw/zinc/30/73/86/164307386.db2.gz JJIGPQRABBWDCX-QGZVFWFLSA-N 2 2 348.450 3.009 20 0 EGADLP NC(=O)C[N@H+](CCC1CCCCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346187641 164359082 /nfs/dbraw/zinc/35/90/82/164359082.db2.gz XFILWBOARVAIEM-UHFFFAOYSA-N 2 2 346.500 3.192 20 0 EGADLP NC(=O)C[N@@H+](CCC1CCCCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346187641 164359083 /nfs/dbraw/zinc/35/90/83/164359083.db2.gz XFILWBOARVAIEM-UHFFFAOYSA-N 2 2 346.500 3.192 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346508888 164388527 /nfs/dbraw/zinc/38/85/27/164388527.db2.gz QXGKDQVIJDWZHN-OAHLLOKOSA-N 2 2 345.830 3.135 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346508888 164388529 /nfs/dbraw/zinc/38/85/29/164388529.db2.gz QXGKDQVIJDWZHN-OAHLLOKOSA-N 2 2 345.830 3.135 20 0 EGADLP C[C@@H](c1ccco1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351897514 165140303 /nfs/dbraw/zinc/14/03/03/165140303.db2.gz GGJOOXDRMOYZKC-SFHVURJKSA-N 2 2 327.472 3.485 20 0 EGADLP C[C@@H](c1ccco1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351897514 165140305 /nfs/dbraw/zinc/14/03/05/165140305.db2.gz GGJOOXDRMOYZKC-SFHVURJKSA-N 2 2 327.472 3.485 20 0 EGADLP C[C@H]1SCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC000352031249 165201507 /nfs/dbraw/zinc/20/15/07/165201507.db2.gz ZFPFVDTUNQAEFU-QZTJIDSGSA-N 2 2 333.545 3.025 20 0 EGADLP C[C@H]1SCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC000352031249 165201510 /nfs/dbraw/zinc/20/15/10/165201510.db2.gz ZFPFVDTUNQAEFU-QZTJIDSGSA-N 2 2 333.545 3.025 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352101440 165236965 /nfs/dbraw/zinc/23/69/65/165236965.db2.gz KGNIFCJZOXDDFV-KRWDZBQOSA-N 2 2 340.870 3.056 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(F)(c2cccc(Cl)c2)CC1)C1CC1 ZINC000352101440 165236967 /nfs/dbraw/zinc/23/69/67/165236967.db2.gz KGNIFCJZOXDDFV-KRWDZBQOSA-N 2 2 340.870 3.056 20 0 EGADLP C[NH+](C)Cc1cnc(CN[C@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000352256759 165311968 /nfs/dbraw/zinc/31/19/68/165311968.db2.gz LNGFNRUXVNGWSM-GOSISDBHSA-N 2 2 344.528 3.131 20 0 EGADLP C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355077693 166101627 /nfs/dbraw/zinc/10/16/27/166101627.db2.gz ZKYLMBRHAFMKPP-CVEARBPZSA-N 2 2 348.535 3.133 20 0 EGADLP C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355077693 166101629 /nfs/dbraw/zinc/10/16/29/166101629.db2.gz ZKYLMBRHAFMKPP-CVEARBPZSA-N 2 2 348.535 3.133 20 0 EGADLP Cc1cnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237217 166143516 /nfs/dbraw/zinc/14/35/16/166143516.db2.gz MECKCKKFIUXQBI-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237217 166143517 /nfs/dbraw/zinc/14/35/17/166143517.db2.gz MECKCKKFIUXQBI-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000355237217 166143520 /nfs/dbraw/zinc/14/35/20/166143520.db2.gz MECKCKKFIUXQBI-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000355237217 166143523 /nfs/dbraw/zinc/14/35/23/166143523.db2.gz MECKCKKFIUXQBI-PZJWPPBQSA-N 2 2 336.483 3.272 20 0 EGADLP CO[C@@]1(C)CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000355575712 166248845 /nfs/dbraw/zinc/24/88/45/166248845.db2.gz BCEKDAYAULWEKU-SFHVURJKSA-N 2 2 337.533 3.301 20 0 EGADLP CO[C@@]1(C)CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1 ZINC000355575712 166248847 /nfs/dbraw/zinc/24/88/47/166248847.db2.gz BCEKDAYAULWEKU-SFHVURJKSA-N 2 2 337.533 3.301 20 0 EGADLP CO[C@@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000355575712 166248848 /nfs/dbraw/zinc/24/88/48/166248848.db2.gz BCEKDAYAULWEKU-SFHVURJKSA-N 2 2 337.533 3.301 20 0 EGADLP CO[C@@]1(C)CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000355575712 166248849 /nfs/dbraw/zinc/24/88/49/166248849.db2.gz BCEKDAYAULWEKU-SFHVURJKSA-N 2 2 337.533 3.301 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000355884725 166337663 /nfs/dbraw/zinc/33/76/63/166337663.db2.gz UBVOPUVUQUIMAF-SFHVURJKSA-N 2 2 334.508 3.069 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccn2cc[nH+]c2c1 ZINC000357487635 166692481 /nfs/dbraw/zinc/69/24/81/166692481.db2.gz PGLONBMTWKFQSV-UHFFFAOYSA-N 2 2 346.390 3.093 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000358904014 167000731 /nfs/dbraw/zinc/00/07/31/167000731.db2.gz NQKCSUHHKRNGPT-DOMZBBRYSA-N 2 2 334.261 3.181 20 0 EGADLP COc1ccc(Cl)cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000359439188 167156339 /nfs/dbraw/zinc/15/63/39/167156339.db2.gz PEYDKFSAQGCICI-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000359766027 167227040 /nfs/dbraw/zinc/22/70/40/167227040.db2.gz JALWUDKUKRFVER-PXNSSMCTSA-N 2 2 338.499 3.463 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000359766027 167227042 /nfs/dbraw/zinc/22/70/42/167227042.db2.gz JALWUDKUKRFVER-PXNSSMCTSA-N 2 2 338.499 3.463 20 0 EGADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000359832670 167244064 /nfs/dbraw/zinc/24/40/64/167244064.db2.gz LVNOPLLGDKDENK-CQSZACIVSA-N 2 2 338.386 3.301 20 0 EGADLP CC1(C)CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000360506754 167344287 /nfs/dbraw/zinc/34/42/87/167344287.db2.gz GUBQSNOYFUPGJN-UHFFFAOYSA-N 2 2 346.515 3.456 20 0 EGADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N(c1ccccc1)C1CCCCC1 ZINC000360547363 167354384 /nfs/dbraw/zinc/35/43/84/167354384.db2.gz QTUYYZVBHYEGDC-NRFANRHFSA-N 2 2 341.499 3.038 20 0 EGADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N(c1ccccc1)C1CCCCC1 ZINC000360547363 167354385 /nfs/dbraw/zinc/35/43/85/167354385.db2.gz QTUYYZVBHYEGDC-NRFANRHFSA-N 2 2 341.499 3.038 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)CCC2 ZINC000364160152 167937133 /nfs/dbraw/zinc/93/71/33/167937133.db2.gz ZPZLMKPFCHMYIU-WBVHZDCISA-N 2 2 339.418 3.310 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c2ccccc2C1 ZINC000365800948 168045010 /nfs/dbraw/zinc/04/50/10/168045010.db2.gz ZOCWGDUNEDFAPY-PZJWPPBQSA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c2ccccc2C1 ZINC000365800948 168045013 /nfs/dbraw/zinc/04/50/13/168045013.db2.gz ZOCWGDUNEDFAPY-PZJWPPBQSA-N 2 2 341.499 3.086 20 0 EGADLP COC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCC(C)CC1 ZINC000366254731 168098947 /nfs/dbraw/zinc/09/89/47/168098947.db2.gz ZTHRSHUBILHDEI-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3CSCCc4ccccc43)cn2)c[nH+]1 ZINC000366278597 168101587 /nfs/dbraw/zinc/10/15/87/168101587.db2.gz BGNYAUHHQNEALM-SFHVURJKSA-N 2 2 336.464 3.388 20 0 EGADLP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000367439841 168226245 /nfs/dbraw/zinc/22/62/45/168226245.db2.gz XNDSXJIAKGLKJX-OLZOCXBDSA-N 2 2 334.851 3.477 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000367702109 168260636 /nfs/dbraw/zinc/26/06/36/168260636.db2.gz MFLZCTMTICREQI-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000367702109 168260639 /nfs/dbraw/zinc/26/06/39/168260639.db2.gz MFLZCTMTICREQI-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000159205328 225170103 /nfs/dbraw/zinc/17/01/03/225170103.db2.gz WZZKOLCQTBCAKA-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000159205328 225170105 /nfs/dbraw/zinc/17/01/05/225170105.db2.gz WZZKOLCQTBCAKA-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP C[NH+](C)CCCC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000123550251 222295526 /nfs/dbraw/zinc/29/55/26/222295526.db2.gz LWMHFPSGWOXEPS-UHFFFAOYSA-N 2 2 334.489 3.352 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902693 265009953 /nfs/dbraw/zinc/00/99/53/265009953.db2.gz VHKDTWBJVPIHMQ-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902693 265009956 /nfs/dbraw/zinc/00/99/56/265009956.db2.gz VHKDTWBJVPIHMQ-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902693 265009958 /nfs/dbraw/zinc/00/99/58/265009958.db2.gz VHKDTWBJVPIHMQ-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902693 265009959 /nfs/dbraw/zinc/00/99/59/265009959.db2.gz VHKDTWBJVPIHMQ-AWEZNQCLSA-N 2 2 346.496 3.462 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000174029738 265019262 /nfs/dbraw/zinc/01/92/62/265019262.db2.gz UIJGBYPSMWPLNU-GTPINHCMSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237485690 266234751 /nfs/dbraw/zinc/23/47/51/266234751.db2.gz RGQOQQTWHJFNEC-HNNXBMFYSA-N 2 2 349.906 3.064 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237760103 266242477 /nfs/dbraw/zinc/24/24/77/266242477.db2.gz MCERFXFNTZMVNG-SJORKVTESA-N 2 2 342.487 3.149 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000237761005 266243664 /nfs/dbraw/zinc/24/36/64/266243664.db2.gz MCERFXFNTZMVNG-DLBZAZTESA-N 2 2 342.487 3.149 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349898 266281510 /nfs/dbraw/zinc/28/15/10/266281510.db2.gz FRCRNVRIGBKXNN-CJNGLKHVSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349898 266281513 /nfs/dbraw/zinc/28/15/13/266281513.db2.gz FRCRNVRIGBKXNN-CJNGLKHVSA-N 2 2 344.846 3.048 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000270656698 266539314 /nfs/dbraw/zinc/53/93/14/266539314.db2.gz NKAAOEIIYIFRKP-SFHVURJKSA-N 2 2 333.863 3.291 20 0 EGADLP CC[C@@H](C)[N@H+](CCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000270901830 266573085 /nfs/dbraw/zinc/57/30/85/266573085.db2.gz RHEADEWCCFWPEF-CQSZACIVSA-N 2 2 339.443 3.141 20 0 EGADLP CC[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000270901830 266573088 /nfs/dbraw/zinc/57/30/88/266573088.db2.gz RHEADEWCCFWPEF-CQSZACIVSA-N 2 2 339.443 3.141 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCSC3)[nH+]c12 ZINC000273393706 267032955 /nfs/dbraw/zinc/03/29/55/267032955.db2.gz FCIQUSASAUTZGR-ZDUSSCGKSA-N 2 2 340.290 3.043 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000273982127 267157844 /nfs/dbraw/zinc/15/78/44/267157844.db2.gz AGFDMBFRIWPQDF-UHFFFAOYSA-N 2 2 342.487 3.125 20 0 EGADLP Clc1ccc2[nH+]cc(C[N@@H+]3CCSC4(CCOCC4)C3)n2c1 ZINC000274439461 267237531 /nfs/dbraw/zinc/23/75/31/267237531.db2.gz BMACRQIMCPHFBY-UHFFFAOYSA-N 2 2 337.876 3.086 20 0 EGADLP Clc1ccc2[nH+]cc(C[N@H+]3CCSC4(CCOCC4)C3)n2c1 ZINC000274439461 267237534 /nfs/dbraw/zinc/23/75/34/267237534.db2.gz BMACRQIMCPHFBY-UHFFFAOYSA-N 2 2 337.876 3.086 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489190 268025022 /nfs/dbraw/zinc/02/50/22/268025022.db2.gz BIMZPVJQFWNTRU-BAGYTPMASA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489190 268025024 /nfs/dbraw/zinc/02/50/24/268025024.db2.gz BIMZPVJQFWNTRU-BAGYTPMASA-N 3 2 341.543 3.361 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000278506428 268028768 /nfs/dbraw/zinc/02/87/68/268028768.db2.gz AVFHMXVIESTFRH-QGZVFWFLSA-N 2 2 345.487 3.024 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000344128137 274356809 /nfs/dbraw/zinc/35/68/09/274356809.db2.gz JCXCOGPLOHAUIO-MBPVOVBZSA-N 2 2 343.515 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000344128137 274356810 /nfs/dbraw/zinc/35/68/10/274356810.db2.gz JCXCOGPLOHAUIO-MBPVOVBZSA-N 2 2 343.515 3.087 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110822724 275181675 /nfs/dbraw/zinc/18/16/75/275181675.db2.gz RIGCBHMUUXGBAA-HZPDHXFCSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110822724 275181676 /nfs/dbraw/zinc/18/16/76/275181676.db2.gz RIGCBHMUUXGBAA-HZPDHXFCSA-N 2 2 335.289 3.133 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000271914835 275241060 /nfs/dbraw/zinc/24/10/60/275241060.db2.gz YNXQKWRXXGLUCC-RYUDHWBXSA-N 2 2 338.249 3.394 20 0 EGADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000272301650 275244069 /nfs/dbraw/zinc/24/40/69/275244069.db2.gz RIMMQZUYFHUMOE-QAPCUYQASA-N 2 2 340.471 3.404 20 0 EGADLP COc1c(O)cccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272301744 275244201 /nfs/dbraw/zinc/24/42/01/275244201.db2.gz PVJOPLRPXHCAFE-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1c(O)cccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272301744 275244203 /nfs/dbraw/zinc/24/42/03/275244203.db2.gz PVJOPLRPXHCAFE-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1c(O)cccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272301744 275244204 /nfs/dbraw/zinc/24/42/04/275244204.db2.gz PVJOPLRPXHCAFE-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1c(O)cccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272301744 275244206 /nfs/dbraw/zinc/24/42/06/275244206.db2.gz PVJOPLRPXHCAFE-SFHVURJKSA-N 2 2 340.467 3.355 20 0 EGADLP COc1c(O)cccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272301741 275244227 /nfs/dbraw/zinc/24/42/27/275244227.db2.gz PVJOPLRPXHCAFE-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1c(O)cccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272301741 275244229 /nfs/dbraw/zinc/24/42/29/275244229.db2.gz PVJOPLRPXHCAFE-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1c(O)cccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272301741 275244231 /nfs/dbraw/zinc/24/42/31/275244231.db2.gz PVJOPLRPXHCAFE-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1c(O)cccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272301741 275244232 /nfs/dbraw/zinc/24/42/32/275244232.db2.gz PVJOPLRPXHCAFE-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP C[C@@H](c1ccncc1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589807 275256918 /nfs/dbraw/zinc/25/69/18/275256918.db2.gz KYJOVBGMWODNCX-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccncc1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589807 275256920 /nfs/dbraw/zinc/25/69/20/275256920.db2.gz KYJOVBGMWODNCX-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccncc1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278589807 275256921 /nfs/dbraw/zinc/25/69/21/275256921.db2.gz KYJOVBGMWODNCX-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccncc1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278589807 275256923 /nfs/dbraw/zinc/25/69/23/275256923.db2.gz KYJOVBGMWODNCX-RXVVDRJESA-N 2 2 339.483 3.366 20 0 EGADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1OC ZINC000278757951 275272117 /nfs/dbraw/zinc/27/21/17/275272117.db2.gz SSDRZUXQAWYFRA-UHFFFAOYSA-N 2 2 342.439 3.451 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)n2c1 ZINC000278794944 275275555 /nfs/dbraw/zinc/27/55/55/275275555.db2.gz XBGLIOILFFRVGI-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3c[nH+]cn3C)C1)CCC2 ZINC000278888364 275284639 /nfs/dbraw/zinc/28/46/39/275284639.db2.gz DKDQOGKZHIRICT-XJKCOSOUSA-N 2 2 346.500 3.326 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000279231252 275314559 /nfs/dbraw/zinc/31/45/59/275314559.db2.gz OYMHRTGGZKTIJO-UHFFFAOYSA-N 2 2 335.411 3.181 20 0 EGADLP CCCCCNC(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280304284 275434739 /nfs/dbraw/zinc/43/47/39/275434739.db2.gz WESIISBJRCWUHI-UHFFFAOYSA-N 2 2 342.487 3.288 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000283152810 275701241 /nfs/dbraw/zinc/70/12/41/275701241.db2.gz IAVPNUUBYVTIBN-BMGDILEWSA-N 2 2 327.428 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000286625642 276024929 /nfs/dbraw/zinc/02/49/29/276024929.db2.gz ZCFTYVCPDYKKTN-UHFFFAOYSA-N 2 2 333.819 3.160 20 0 EGADLP CN(C)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000287197575 276095363 /nfs/dbraw/zinc/09/53/63/276095363.db2.gz WECYYNMTEVOLJT-IBGZPJMESA-N 2 2 342.462 3.082 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000287620879 276140582 /nfs/dbraw/zinc/14/05/82/276140582.db2.gz JUSMINFHKJYHQF-HIFRSBDPSA-N 2 2 325.334 3.072 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000287695119 276148252 /nfs/dbraw/zinc/14/82/52/276148252.db2.gz ZFYYIQSSMUOPDE-UHFFFAOYSA-N 2 2 330.476 3.475 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCc4occc4C3)c2cc1C ZINC000288867725 276262068 /nfs/dbraw/zinc/26/20/68/276262068.db2.gz QHUUQNYJGOAZLJ-QGZVFWFLSA-N 2 2 339.439 3.055 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCc4occc4C3)c2cc1C ZINC000288867725 276262069 /nfs/dbraw/zinc/26/20/69/276262069.db2.gz QHUUQNYJGOAZLJ-QGZVFWFLSA-N 2 2 339.439 3.055 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cncc(Br)c1 ZINC000289428131 276337607 /nfs/dbraw/zinc/33/76/07/276337607.db2.gz KETLLSVQSLQLGP-UHFFFAOYSA-N 2 2 326.282 3.152 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cncc(Br)c1 ZINC000289428131 276337609 /nfs/dbraw/zinc/33/76/09/276337609.db2.gz KETLLSVQSLQLGP-UHFFFAOYSA-N 2 2 326.282 3.152 20 0 EGADLP C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000290736297 276534866 /nfs/dbraw/zinc/53/48/66/276534866.db2.gz PQUGAKFLUYWBNH-KDOFPFPSSA-N 2 2 337.427 3.147 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000336868685 279493851 /nfs/dbraw/zinc/49/38/51/279493851.db2.gz VVPISOLORZTQTD-NSHDSACASA-N 2 2 326.366 3.356 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)C[C@@H](C)O1 ZINC000247880092 288163923 /nfs/dbraw/zinc/16/39/23/288163923.db2.gz BLLZOSCBEWYBSW-RKVPGOIHSA-N 2 2 336.451 3.128 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000310592967 303376002 /nfs/dbraw/zinc/37/60/02/303376002.db2.gz ZNNMGFNGWAIGKO-WOJBJXKFSA-N 2 2 343.515 3.019 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000310592967 303376003 /nfs/dbraw/zinc/37/60/03/303376003.db2.gz ZNNMGFNGWAIGKO-WOJBJXKFSA-N 2 2 343.515 3.019 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000072718953 307381660 /nfs/dbraw/zinc/38/16/60/307381660.db2.gz QGTGZVJXZVFIJI-RBUKOAKNSA-N 2 2 343.515 3.236 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000072718953 307381661 /nfs/dbraw/zinc/38/16/61/307381661.db2.gz QGTGZVJXZVFIJI-RBUKOAKNSA-N 2 2 343.515 3.236 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414120764 309062256 /nfs/dbraw/zinc/06/22/56/309062256.db2.gz YLOCIECEAKLFEU-QKLQHJQFSA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414120764 309062257 /nfs/dbraw/zinc/06/22/57/309062257.db2.gz YLOCIECEAKLFEU-QKLQHJQFSA-N 2 2 339.483 3.274 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000153344763 307771428 /nfs/dbraw/zinc/77/14/28/307771428.db2.gz NJUQQMFIIHWZOR-ZIAGYGMSSA-N 2 2 346.393 3.204 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000158898260 307865438 /nfs/dbraw/zinc/86/54/38/307865438.db2.gz SBHTWDOJIAIKCE-MAUKXSAKSA-N 2 2 326.431 3.098 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2cccc(Cl)c2Cl)n1C ZINC000414286048 309070688 /nfs/dbraw/zinc/07/06/88/309070688.db2.gz BZUSSWZZBNGWAC-UHFFFAOYSA-N 2 2 327.259 3.125 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)n1C ZINC000414300341 309071485 /nfs/dbraw/zinc/07/14/85/309071485.db2.gz AOQHOKGGDDYNKW-UHFFFAOYSA-N 2 2 330.451 3.227 20 0 EGADLP Fc1ccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000162949425 307917870 /nfs/dbraw/zinc/91/78/70/307917870.db2.gz ZRQXMBGTFSUJRO-UHFFFAOYSA-N 2 2 334.358 3.004 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000414372116 309075993 /nfs/dbraw/zinc/07/59/93/309075993.db2.gz OXCCIUWZXUKUCJ-HNNXBMFYSA-N 2 2 339.418 3.423 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000414372116 309075994 /nfs/dbraw/zinc/07/59/94/309075994.db2.gz OXCCIUWZXUKUCJ-HNNXBMFYSA-N 2 2 339.418 3.423 20 0 EGADLP CCc1ncc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000414396476 309077781 /nfs/dbraw/zinc/07/77/81/309077781.db2.gz MPKDKNOOXGSFEY-UHFFFAOYSA-N 2 2 339.487 3.173 20 0 EGADLP CCc1ncc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000414396476 309077782 /nfs/dbraw/zinc/07/77/82/309077782.db2.gz MPKDKNOOXGSFEY-UHFFFAOYSA-N 2 2 339.487 3.173 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292954090 308083880 /nfs/dbraw/zinc/08/38/80/308083880.db2.gz KTMAOSVVJGYTOQ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292954090 308083881 /nfs/dbraw/zinc/08/38/81/308083881.db2.gz KTMAOSVVJGYTOQ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292954090 308083883 /nfs/dbraw/zinc/08/38/83/308083883.db2.gz KTMAOSVVJGYTOQ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292954090 308083885 /nfs/dbraw/zinc/08/38/85/308083885.db2.gz KTMAOSVVJGYTOQ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP Cc1ccc([C@H](C[NH2+]Cc2cnn(CC(F)F)c2)[NH+]2CCCC2)cc1 ZINC000293015418 308090224 /nfs/dbraw/zinc/09/02/24/308090224.db2.gz PCXKCEPIKQNBJT-SFHVURJKSA-N 2 2 348.441 3.383 20 0 EGADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000293769083 308160297 /nfs/dbraw/zinc/16/02/97/308160297.db2.gz PKVYTQQRJGGKSI-NSHDSACASA-N 2 2 326.263 3.374 20 0 EGADLP c1ccc2[nH+]c(CCC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)[nH]c2c1 ZINC000294355952 308213429 /nfs/dbraw/zinc/21/34/29/308213429.db2.gz ZPRUZHSBUDEQQJ-UHFFFAOYSA-N 3 2 335.455 3.149 20 0 EGADLP O=C(NCCC[C@H]1CCC[NH2+]1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000294738047 308251504 /nfs/dbraw/zinc/25/15/04/308251504.db2.gz CDUPBPCFDUTUPT-MRXNPFEDSA-N 2 2 325.412 3.136 20 0 EGADLP CC(C)CC[NH+]1CCC(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000294774655 308255613 /nfs/dbraw/zinc/25/56/13/308255613.db2.gz NJIFIZBYLFXQSN-QGZVFWFLSA-N 2 2 347.532 3.303 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948970 308275229 /nfs/dbraw/zinc/27/52/29/308275229.db2.gz YIMINYWAGOXIEC-ZOBUZTSGSA-N 2 2 343.471 3.309 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948970 308275231 /nfs/dbraw/zinc/27/52/31/308275231.db2.gz YIMINYWAGOXIEC-ZOBUZTSGSA-N 2 2 343.471 3.309 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295188037 308300674 /nfs/dbraw/zinc/30/06/74/308300674.db2.gz IODKSDTZVTXWQT-AOIWGVFYSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295188037 308300675 /nfs/dbraw/zinc/30/06/75/308300675.db2.gz IODKSDTZVTXWQT-AOIWGVFYSA-N 2 2 326.488 3.464 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588543 308341235 /nfs/dbraw/zinc/34/12/35/308341235.db2.gz DZRCYDHUINBKCQ-RDTXWAMCSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588543 308341237 /nfs/dbraw/zinc/34/12/37/308341237.db2.gz DZRCYDHUINBKCQ-RDTXWAMCSA-N 2 2 331.410 3.360 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414653401 309093743 /nfs/dbraw/zinc/09/37/43/309093743.db2.gz FGQQSPYCLQQVEY-SFHVURJKSA-N 2 2 344.430 3.336 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414653401 309093744 /nfs/dbraw/zinc/09/37/44/309093744.db2.gz FGQQSPYCLQQVEY-SFHVURJKSA-N 2 2 344.430 3.336 20 0 EGADLP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000296852857 308473938 /nfs/dbraw/zinc/47/39/38/308473938.db2.gz HQENPQCSBQZZCV-MRXNPFEDSA-N 2 2 339.439 3.430 20 0 EGADLP Fc1ccc(C(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccc(F)cc2)cc1 ZINC000414786306 309101167 /nfs/dbraw/zinc/10/11/67/309101167.db2.gz KDYZQUIOXKCIOR-UZLBHIALSA-N 2 2 328.406 3.390 20 0 EGADLP Fc1ccc(C(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccc(F)cc2)cc1 ZINC000414786306 309101168 /nfs/dbraw/zinc/10/11/68/309101168.db2.gz KDYZQUIOXKCIOR-UZLBHIALSA-N 2 2 328.406 3.390 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000414828978 309104350 /nfs/dbraw/zinc/10/43/50/309104350.db2.gz LSVMMPMWWXGOKF-UHFFFAOYSA-N 2 2 332.419 3.112 20 0 EGADLP Cc1cc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)nc[nH+]1 ZINC000301234361 308692813 /nfs/dbraw/zinc/69/28/13/308692813.db2.gz JLRQWFQQSBCIDV-UHFFFAOYSA-N 2 2 345.878 3.063 20 0 EGADLP COc1cccc([C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)[NH+](C)C)c1 ZINC000301448058 308700835 /nfs/dbraw/zinc/70/08/35/308700835.db2.gz RAIVRWAOIHYYMO-MRXNPFEDSA-N 2 2 328.460 3.498 20 0 EGADLP C[NH+]1CCC(CNc2nc3cc(F)ccc3o2)([NH+]2CCCCC2)CC1 ZINC000301462370 308701364 /nfs/dbraw/zinc/70/13/64/308701364.db2.gz OLWPMCWXRUMZNL-UHFFFAOYSA-N 2 2 346.450 3.329 20 0 EGADLP Cc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000302034319 308726235 /nfs/dbraw/zinc/72/62/35/308726235.db2.gz ONGJLGLFHREDIG-UHFFFAOYSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000414843565 309104980 /nfs/dbraw/zinc/10/49/80/309104980.db2.gz JQSGBRMYPGSVMD-LJQANCHMSA-N 2 2 335.455 3.385 20 0 EGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329034105 308777177 /nfs/dbraw/zinc/77/71/77/308777177.db2.gz QPFOHJUAYHBSOI-NVQRDWNXSA-N 2 2 344.503 3.029 20 0 EGADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414867128 309106446 /nfs/dbraw/zinc/10/64/46/309106446.db2.gz GELVMEGCMNQGLB-KRWDZBQOSA-N 2 2 338.480 3.111 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000414870508 309106489 /nfs/dbraw/zinc/10/64/89/309106489.db2.gz MOVDPZUPVSKSPB-UHFFFAOYSA-N 2 2 328.456 3.460 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc(Cl)c1OC ZINC000414931230 309109801 /nfs/dbraw/zinc/10/98/01/309109801.db2.gz QZDAMAUBLSHAEA-HNNXBMFYSA-N 2 2 326.868 3.225 20 0 EGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414934101 309109905 /nfs/dbraw/zinc/10/99/05/309109905.db2.gz UYSPRDWGGZHIRK-OALUTQOASA-N 2 2 332.488 3.112 20 0 EGADLP COc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414946456 309110731 /nfs/dbraw/zinc/11/07/31/309110731.db2.gz JOSQWOCRLDBZSQ-SWLSCSKDSA-N 2 2 338.423 3.270 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414949407 309110870 /nfs/dbraw/zinc/11/08/70/309110870.db2.gz DXFQATYSLHZJCE-APWZRJJASA-N 2 2 348.441 3.286 20 0 EGADLP CCCOc1c(Br)cc(C[NH2+][C@@H](C)C[NH3+])cc1OCC ZINC000414951890 309111158 /nfs/dbraw/zinc/11/11/58/309111158.db2.gz JMZDDIFCWRLKTK-NSHDSACASA-N 2 2 345.281 3.073 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000414956604 309111220 /nfs/dbraw/zinc/11/12/20/309111220.db2.gz NOWFNTGOZPGHEW-CQSZACIVSA-N 2 2 334.485 3.423 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414955302 309111293 /nfs/dbraw/zinc/11/12/93/309111293.db2.gz OHZFKPOYZUYADE-UGSOOPFHSA-N 2 2 332.879 3.373 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1O ZINC000414957002 309111423 /nfs/dbraw/zinc/11/14/23/309111423.db2.gz PCWOTRXKXYJOGD-DNVCBOLYSA-N 2 2 340.467 3.199 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414960891 309111750 /nfs/dbraw/zinc/11/17/50/309111750.db2.gz ATVWRDXKYZEHMJ-MRXNPFEDSA-N 2 2 345.468 3.017 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000414972749 309112372 /nfs/dbraw/zinc/11/23/72/309112372.db2.gz MXQGXPUVUIBVMM-QGZVFWFLSA-N 3 2 335.923 3.426 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032837 309115506 /nfs/dbraw/zinc/11/55/06/309115506.db2.gz AYRMCSODUJKPQX-LSDHHAIUSA-N 2 2 347.532 3.187 20 0 EGADLP Cc1nn2c(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032837 309115507 /nfs/dbraw/zinc/11/55/07/309115507.db2.gz AYRMCSODUJKPQX-LSDHHAIUSA-N 2 2 347.532 3.187 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)s1 ZINC000415031435 309115515 /nfs/dbraw/zinc/11/55/15/309115515.db2.gz HLVRDNRXYQTYEO-OAHLLOKOSA-N 2 2 346.500 3.179 20 0 EGADLP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415037401 309115687 /nfs/dbraw/zinc/11/56/87/309115687.db2.gz LBKKUYRXPSJVIU-CQSZACIVSA-N 2 2 343.452 3.024 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000415131473 309122775 /nfs/dbraw/zinc/12/27/75/309122775.db2.gz SIKCFFACHQQKFA-CABCVRRESA-N 2 2 331.485 3.139 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000415131473 309122776 /nfs/dbraw/zinc/12/27/76/309122776.db2.gz SIKCFFACHQQKFA-CABCVRRESA-N 2 2 331.485 3.139 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000415298523 309130454 /nfs/dbraw/zinc/13/04/54/309130454.db2.gz XGDHKJZLUGKDIX-QGZVFWFLSA-N 2 2 341.459 3.305 20 0 EGADLP CCn1c[nH+]cc1CNc1[nH+]c2ccc(Br)cc2n1CC ZINC000416429479 309171683 /nfs/dbraw/zinc/17/16/83/309171683.db2.gz YTMWBVGABPITRE-UHFFFAOYSA-N 2 2 348.248 3.069 20 0 EGADLP Cc1cc(C[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n(C)n1 ZINC000417908818 309227943 /nfs/dbraw/zinc/22/79/43/309227943.db2.gz DESBEIXIMABFMH-HXUWFJFHSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1cc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)n(C)n1 ZINC000417908818 309227944 /nfs/dbraw/zinc/22/79/44/309227944.db2.gz DESBEIXIMABFMH-HXUWFJFHSA-N 2 2 340.515 3.291 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418268698 309241131 /nfs/dbraw/zinc/24/11/31/309241131.db2.gz XRMFRCNYZKUUNM-PBHICJAKSA-N 2 2 343.475 3.087 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419298110 309263462 /nfs/dbraw/zinc/26/34/62/309263462.db2.gz VJMHCVJTNHGPLW-CQSZACIVSA-N 2 2 347.528 3.342 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000420313203 309281175 /nfs/dbraw/zinc/28/11/75/309281175.db2.gz XSCDSGJWCMOMNQ-OAHLLOKOSA-N 2 2 341.480 3.479 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000420313203 309281176 /nfs/dbraw/zinc/28/11/76/309281176.db2.gz XSCDSGJWCMOMNQ-OAHLLOKOSA-N 2 2 341.480 3.479 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000420352896 309283748 /nfs/dbraw/zinc/28/37/48/309283748.db2.gz AWYWGARDWMNETG-HNNXBMFYSA-N 2 2 343.393 3.141 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)c(OC)c1 ZINC000420356811 309283886 /nfs/dbraw/zinc/28/38/86/309283886.db2.gz GPHSVXBPJMQNQG-INIZCTEOSA-N 2 2 349.500 3.290 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420359941 309284032 /nfs/dbraw/zinc/28/40/32/309284032.db2.gz LGKULWMWBPPECE-FQEVSTJZSA-N 2 2 345.531 3.231 20 0 EGADLP CC[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccccc1OC(F)F ZINC000420368182 309284534 /nfs/dbraw/zinc/28/45/34/309284534.db2.gz HMZANLSLVGQVKD-NSHDSACASA-N 2 2 340.374 3.106 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420370999 309284918 /nfs/dbraw/zinc/28/49/18/309284918.db2.gz WNKPEMGEGVQVFP-MAUKXSAKSA-N 2 2 333.520 3.025 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCCO1 ZINC000420379527 309285307 /nfs/dbraw/zinc/28/53/07/309285307.db2.gz AXBLCHCOIUNYSN-OAHLLOKOSA-N 2 2 348.393 3.307 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCCO1 ZINC000420379527 309285308 /nfs/dbraw/zinc/28/53/08/309285308.db2.gz AXBLCHCOIUNYSN-OAHLLOKOSA-N 2 2 348.393 3.307 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420383546 309285455 /nfs/dbraw/zinc/28/54/55/309285455.db2.gz BURGXMOUXWKPJW-INIZCTEOSA-N 2 2 341.455 3.347 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420383546 309285456 /nfs/dbraw/zinc/28/54/56/309285456.db2.gz BURGXMOUXWKPJW-INIZCTEOSA-N 2 2 341.455 3.347 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383684 309285504 /nfs/dbraw/zinc/28/55/04/309285504.db2.gz ZVQVKUSKACNOGI-HIFRSBDPSA-N 2 2 344.459 3.245 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000420383684 309285505 /nfs/dbraw/zinc/28/55/05/309285505.db2.gz ZVQVKUSKACNOGI-HIFRSBDPSA-N 2 2 344.459 3.245 20 0 EGADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]CC[NH3+] ZINC000420396453 309286345 /nfs/dbraw/zinc/28/63/45/309286345.db2.gz FGCHCDROYMRFOW-VIFPVBQESA-N 2 2 340.290 3.490 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1Cl ZINC000420421184 309287186 /nfs/dbraw/zinc/28/71/86/309287186.db2.gz YMYMBUOZNUQZKJ-IGNZVWTISA-N 2 2 336.838 3.061 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000420912342 309300560 /nfs/dbraw/zinc/30/05/60/309300560.db2.gz HNFFDVVBXZPRQM-UHFFFAOYSA-N 2 2 344.499 3.054 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000420912342 309300561 /nfs/dbraw/zinc/30/05/61/309300561.db2.gz HNFFDVVBXZPRQM-UHFFFAOYSA-N 2 2 344.499 3.054 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(O)c1 ZINC000420916199 309300886 /nfs/dbraw/zinc/30/08/86/309300886.db2.gz GZCYUPLTIUDJSI-MRXNPFEDSA-N 2 2 326.440 3.075 20 0 EGADLP CCS[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959119 309304387 /nfs/dbraw/zinc/30/43/87/309304387.db2.gz FTKDJFFEGDKLBK-MOPGFXCFSA-N 2 2 334.529 3.283 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@H+](Cc2ccccc2)C1 ZINC000421343096 309319208 /nfs/dbraw/zinc/31/92/08/309319208.db2.gz PLWMHEJMKSVFEC-VXKWHMMOSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@@H+](Cc2ccccc2)C1 ZINC000421343096 309319209 /nfs/dbraw/zinc/31/92/09/309319209.db2.gz PLWMHEJMKSVFEC-VXKWHMMOSA-N 2 2 336.479 3.289 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(C)c3F)CC2)CC1 ZINC000421366619 309320831 /nfs/dbraw/zinc/32/08/31/309320831.db2.gz CUSRLDGKWCPNAT-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(C)c3F)CC2)CC1 ZINC000421366619 309320832 /nfs/dbraw/zinc/32/08/32/309320832.db2.gz CUSRLDGKWCPNAT-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421367341 309320855 /nfs/dbraw/zinc/32/08/55/309320855.db2.gz SNIBIBBEMQCSGC-LSDHHAIUSA-N 2 2 326.916 3.372 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCc3cccnc3CC2)ccc1-n1cc[nH+]c1 ZINC000421826080 309341718 /nfs/dbraw/zinc/34/17/18/309341718.db2.gz QXIVVLDXAXTEGB-QGZVFWFLSA-N 2 2 336.414 3.444 20 0 EGADLP C[NH+](C)CCOc1cccc(N[C@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000421836184 309342497 /nfs/dbraw/zinc/34/24/97/309342497.db2.gz GOMXMKPXJKHLLL-KRWDZBQOSA-N 2 2 325.456 3.382 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421847652 309343116 /nfs/dbraw/zinc/34/31/16/309343116.db2.gz XYHVMGFYWLMWID-HNAYVOBHSA-N 2 2 338.467 3.232 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCC(C)(C)C)CC2)CC1 ZINC000422018074 309351225 /nfs/dbraw/zinc/35/12/25/309351225.db2.gz JVCMGODPBAFMGA-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCC(C)(C)C)CC2)CC1 ZINC000422018074 309351226 /nfs/dbraw/zinc/35/12/26/309351226.db2.gz JVCMGODPBAFMGA-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422701576 309363915 /nfs/dbraw/zinc/36/39/15/309363915.db2.gz DICWNMSCZAYBRM-UZLBHIALSA-N 2 2 325.456 3.281 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1C[NH2+]C1 ZINC000422721342 309364764 /nfs/dbraw/zinc/36/47/64/309364764.db2.gz VCXYFCHIUKMUMH-QGZVFWFLSA-N 3 2 346.478 3.296 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721636 309364834 /nfs/dbraw/zinc/36/48/34/309364834.db2.gz VWEAJSRKTPYDQJ-QIJUGHKUSA-N 3 2 335.495 3.285 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721636 309364835 /nfs/dbraw/zinc/36/48/35/309364835.db2.gz VWEAJSRKTPYDQJ-QIJUGHKUSA-N 3 2 335.495 3.285 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422724227 309365039 /nfs/dbraw/zinc/36/50/39/309365039.db2.gz UZPZZDMDWLLJOV-DOMZBBRYSA-N 2 2 326.868 3.368 20 0 EGADLP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422723954 309365183 /nfs/dbraw/zinc/36/51/83/309365183.db2.gz TUHQUYCYHZSFOK-ZIFCJYIRSA-N 2 2 334.504 3.152 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422727268 309365331 /nfs/dbraw/zinc/36/53/31/309365331.db2.gz BZKJHMABMAQKEQ-YLJYHZDGSA-N 2 2 340.467 3.122 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422747693 309366511 /nfs/dbraw/zinc/36/65/11/309366511.db2.gz ZJYSYWPZAOJDPX-OXQOHEQNSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422747693 309366512 /nfs/dbraw/zinc/36/65/12/309366512.db2.gz ZJYSYWPZAOJDPX-OXQOHEQNSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422762170 309367023 /nfs/dbraw/zinc/36/70/23/309367023.db2.gz RXMALDVGWBSWQD-OXQOHEQNSA-N 3 2 336.483 3.283 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422793079 309368443 /nfs/dbraw/zinc/36/84/43/309368443.db2.gz XUVDXHAQKAUKGH-HGHGUNKESA-N 2 2 342.458 3.466 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422795163 309368696 /nfs/dbraw/zinc/36/86/96/309368696.db2.gz ZSJSIFOVNSUTDC-FOIQADDNSA-N 3 2 326.488 3.111 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422797332 309368802 /nfs/dbraw/zinc/36/88/02/309368802.db2.gz MDPOCOJATJYDLM-CRAIPNDOSA-N 2 2 344.430 3.475 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805185 309369353 /nfs/dbraw/zinc/36/93/53/309369353.db2.gz IREVOFCQRPNANA-BHIFYINESA-N 3 2 341.543 3.335 20 0 EGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805185 309369354 /nfs/dbraw/zinc/36/93/54/309369354.db2.gz IREVOFCQRPNANA-BHIFYINESA-N 3 2 341.543 3.335 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]1 ZINC000422827481 309370539 /nfs/dbraw/zinc/37/05/39/309370539.db2.gz NAPIHGHILBDIKO-APWZRJJASA-N 2 2 334.467 3.315 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1c[nH+]ccc1N ZINC000422830955 309370654 /nfs/dbraw/zinc/37/06/54/309370654.db2.gz JBURNBZRQWKBJO-MRXNPFEDSA-N 2 2 335.455 3.174 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422851866 309372136 /nfs/dbraw/zinc/37/21/36/309372136.db2.gz XLHYGTVGLCNMGZ-LSDHHAIUSA-N 2 2 338.442 3.133 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OC[C@@H]2CCCO2)c1 ZINC000422880981 309373661 /nfs/dbraw/zinc/37/36/61/309373661.db2.gz YDJZLOXDDNVLGP-WBVHZDCISA-N 2 2 341.455 3.211 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000422925993 309376441 /nfs/dbraw/zinc/37/64/41/309376441.db2.gz CEVSADPPSHQHLG-AAEUAGOBSA-N 2 2 329.271 3.339 20 0 EGADLP CC[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]1 ZINC000422954877 309377801 /nfs/dbraw/zinc/37/78/01/309377801.db2.gz IJLJDFLPWOOYFM-CABCVRRESA-N 2 2 334.851 3.053 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422955127 309378025 /nfs/dbraw/zinc/37/80/25/309378025.db2.gz IRSRMUOKOPHCKT-HNNXBMFYSA-N 2 2 325.460 3.407 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422970841 309378954 /nfs/dbraw/zinc/37/89/54/309378954.db2.gz HCPJZPKKEQJRHQ-JXFKEZNVSA-N 2 2 339.483 3.451 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2cccc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000423087365 309385354 /nfs/dbraw/zinc/38/53/54/309385354.db2.gz PHXSFJOTKWGFJR-UXHICEINSA-N 2 2 325.456 3.024 20 0 EGADLP Fc1cc(F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000423134343 309387645 /nfs/dbraw/zinc/38/76/45/309387645.db2.gz LZMSNEAKYJWZOL-MJGOQNOKSA-N 2 2 348.368 3.449 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423150259 309388464 /nfs/dbraw/zinc/38/84/64/309388464.db2.gz BJXRALXIUTVPCS-HYSWKAIVSA-N 2 2 326.843 3.287 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229415 309391407 /nfs/dbraw/zinc/39/14/07/309391407.db2.gz BGERQRMXHKITKX-TZMCWYRMSA-N 2 2 325.250 3.004 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@H]1C ZINC000423234294 309391741 /nfs/dbraw/zinc/39/17/41/309391741.db2.gz FMWNAAXATWKUHI-QZHFEQFPSA-N 2 2 332.488 3.377 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423240432 309392069 /nfs/dbraw/zinc/39/20/69/309392069.db2.gz TZHONWJTLSFVOY-UAGQMJEPSA-N 2 2 336.451 3.176 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)c2ccccc2C1 ZINC000423266767 309393251 /nfs/dbraw/zinc/39/32/51/309393251.db2.gz CIIBYUGXXOONGO-NRFANRHFSA-N 2 2 343.515 3.382 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccc(CO)c1 ZINC000423357425 309396876 /nfs/dbraw/zinc/39/68/76/309396876.db2.gz AKQVLZXIBAQUPL-ROOHIHILSA-N 2 2 346.421 3.253 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000423373424 309397672 /nfs/dbraw/zinc/39/76/72/309397672.db2.gz BUIXUZCNHHWWMU-GXTWGEPZSA-N 2 2 325.522 3.069 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423411914 309399108 /nfs/dbraw/zinc/39/91/08/309399108.db2.gz GNZUXVGDTVAMKA-HOTGVXAUSA-N 2 2 346.393 3.395 20 0 EGADLP CC1CC[NH+](CCC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(F)cc2)CC1 ZINC000423419129 309399414 /nfs/dbraw/zinc/39/94/14/309399414.db2.gz ALXPCAIAKAECMS-MHTWAQMVSA-N 3 2 345.506 3.186 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CCC[NH2+]1 ZINC000423439042 309400422 /nfs/dbraw/zinc/40/04/22/309400422.db2.gz VCNYMQBIZWALQZ-CXAGYDPISA-N 2 2 328.403 3.016 20 0 EGADLP Cc1cccn2cc(CNC(=O)CC[C@@H]([NH3+])CC3CCCCC3)[nH+]c12 ZINC000424137837 309430417 /nfs/dbraw/zinc/43/04/17/309430417.db2.gz CNUQSJYVSYRZMN-QGZVFWFLSA-N 2 2 342.487 3.337 20 0 EGADLP Cc1cc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)ccc1F ZINC000427862133 309537320 /nfs/dbraw/zinc/53/73/20/309537320.db2.gz FFXGTQWAYGTZRC-PXNSSMCTSA-N 2 2 336.414 3.420 20 0 EGADLP COC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCCC1 ZINC000446757299 309967707 /nfs/dbraw/zinc/96/77/07/309967707.db2.gz AGQFDBPMHLBUMA-KRWDZBQOSA-N 2 2 326.550 3.143 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449026314 310030306 /nfs/dbraw/zinc/03/03/06/310030306.db2.gz FJYKQSJHQAXZNM-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449026314 310030307 /nfs/dbraw/zinc/03/03/07/310030307.db2.gz FJYKQSJHQAXZNM-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CSC[C@@H]2C)CCOCC1)c1ccccc1 ZINC000449153907 310040754 /nfs/dbraw/zinc/04/07/54/310040754.db2.gz GGJWVGJULMUDDG-XYJFISCASA-N 2 2 334.529 3.228 20 0 EGADLP CC(C)CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000449323784 310053546 /nfs/dbraw/zinc/05/35/46/310053546.db2.gz XAXWXEISKCACLE-WSCSCYJOSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000449323784 310053547 /nfs/dbraw/zinc/05/35/47/310053547.db2.gz XAXWXEISKCACLE-WSCSCYJOSA-N 2 2 349.563 3.265 20 0 EGADLP Fc1cnccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000449333589 310054363 /nfs/dbraw/zinc/05/43/63/310054363.db2.gz HEKQSSUNHGWTIV-PKOBYXMFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000449333589 310054364 /nfs/dbraw/zinc/05/43/64/310054364.db2.gz HEKQSSUNHGWTIV-PKOBYXMFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000449333589 310054365 /nfs/dbraw/zinc/05/43/65/310054365.db2.gz HEKQSSUNHGWTIV-PKOBYXMFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000449333589 310054366 /nfs/dbraw/zinc/05/43/66/310054366.db2.gz HEKQSSUNHGWTIV-PKOBYXMFSA-N 2 2 325.431 3.175 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC000449381518 310057625 /nfs/dbraw/zinc/05/76/25/310057625.db2.gz SLWOJEMTCLPCDG-YSGRDPCXSA-N 2 2 334.479 3.492 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000449388661 310058333 /nfs/dbraw/zinc/05/83/33/310058333.db2.gz PSTBSCGYBOZHIG-OAQYLSRUSA-N 2 2 338.495 3.255 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000449388661 310058334 /nfs/dbraw/zinc/05/83/34/310058334.db2.gz PSTBSCGYBOZHIG-OAQYLSRUSA-N 2 2 338.495 3.255 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000449396705 310058626 /nfs/dbraw/zinc/05/86/26/310058626.db2.gz MIDXGFGNOCTDSX-OAQYLSRUSA-N 2 2 338.495 3.255 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC000449396705 310058627 /nfs/dbraw/zinc/05/86/27/310058627.db2.gz MIDXGFGNOCTDSX-OAQYLSRUSA-N 2 2 338.495 3.255 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2nccn21 ZINC000449571505 310072847 /nfs/dbraw/zinc/07/28/47/310072847.db2.gz LTWRQCAWNAGILM-BEFAXECRSA-N 2 2 342.462 3.325 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449646244 310077177 /nfs/dbraw/zinc/07/71/77/310077177.db2.gz MUKKNJMFERXRTF-IRXDYDNUSA-N 2 2 337.467 3.279 20 0 EGADLP COc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450345427 310116858 /nfs/dbraw/zinc/11/68/58/310116858.db2.gz FRSFOMGTIWATSI-HXUWFJFHSA-N 2 2 345.531 3.076 20 0 EGADLP COc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450345427 310116859 /nfs/dbraw/zinc/11/68/59/310116859.db2.gz FRSFOMGTIWATSI-HXUWFJFHSA-N 2 2 345.531 3.076 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccn(CCc3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000450587406 310131647 /nfs/dbraw/zinc/13/16/47/310131647.db2.gz DIJSJQRSLHIOII-WIYYLYMNSA-N 2 2 349.482 3.405 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000450587406 310131648 /nfs/dbraw/zinc/13/16/48/310131648.db2.gz DIJSJQRSLHIOII-WIYYLYMNSA-N 2 2 349.482 3.405 20 0 EGADLP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000450603074 310132534 /nfs/dbraw/zinc/13/25/34/310132534.db2.gz SJDGHWPHYTYBFT-QILLFSRXSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000450603074 310132535 /nfs/dbraw/zinc/13/25/35/310132535.db2.gz SJDGHWPHYTYBFT-QILLFSRXSA-N 2 2 338.879 3.032 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451475971 310180198 /nfs/dbraw/zinc/18/01/98/310180198.db2.gz DTLHXCPETAGOKL-IPMKNSEASA-N 2 2 325.456 3.474 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451697898 310192859 /nfs/dbraw/zinc/19/28/59/310192859.db2.gz IVADLDQVYMISFM-IMFGXOCKSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451697898 310192860 /nfs/dbraw/zinc/19/28/60/310192860.db2.gz IVADLDQVYMISFM-IMFGXOCKSA-N 2 2 325.456 3.164 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000453062562 310255260 /nfs/dbraw/zinc/25/52/60/310255260.db2.gz UIKDNWZRAYZDED-MRXNPFEDSA-N 2 2 329.835 3.039 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccncc1 ZINC000453132867 310260211 /nfs/dbraw/zinc/26/02/11/310260211.db2.gz UOFZDNPCFQYPRL-PCCBWWKXSA-N 2 2 339.483 3.005 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccncc1 ZINC000453132867 310260212 /nfs/dbraw/zinc/26/02/12/310260212.db2.gz UOFZDNPCFQYPRL-PCCBWWKXSA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453261516 310267548 /nfs/dbraw/zinc/26/75/48/310267548.db2.gz RQRCFEXUGAXUOG-IEBWSBKVSA-N 2 2 334.504 3.219 20 0 EGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453261516 310267549 /nfs/dbraw/zinc/26/75/49/310267549.db2.gz RQRCFEXUGAXUOG-IEBWSBKVSA-N 2 2 334.504 3.219 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000453264280 310267866 /nfs/dbraw/zinc/26/78/66/310267866.db2.gz MMGAZTODRXOAIV-PKOBYXMFSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000453264280 310267867 /nfs/dbraw/zinc/26/78/67/310267867.db2.gz MMGAZTODRXOAIV-PKOBYXMFSA-N 2 2 336.907 3.098 20 0 EGADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453453643 310277904 /nfs/dbraw/zinc/27/79/04/310277904.db2.gz SXVFSNVXSKGLSR-HOCLYGCPSA-N 2 2 349.438 3.254 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000455560506 310366726 /nfs/dbraw/zinc/36/67/26/310366726.db2.gz POEGHCHOHWFSCN-UHFFFAOYSA-N 2 2 340.471 3.150 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000455560506 310366727 /nfs/dbraw/zinc/36/67/27/310366727.db2.gz POEGHCHOHWFSCN-UHFFFAOYSA-N 2 2 340.471 3.150 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000491060096 311162779 /nfs/dbraw/zinc/16/27/79/311162779.db2.gz MLRLBJODFSWMFB-QZTJIDSGSA-N 2 2 336.838 3.081 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000491060097 311162811 /nfs/dbraw/zinc/16/28/11/311162811.db2.gz MLRLBJODFSWMFB-ROUUACIJSA-N 2 2 336.838 3.081 20 0 EGADLP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000492456851 311253252 /nfs/dbraw/zinc/25/32/52/311253252.db2.gz MQWPCKFAIBMKCA-FUHWJXTLSA-N 2 2 333.476 3.169 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000492814270 311294599 /nfs/dbraw/zinc/29/45/99/311294599.db2.gz UFJXKAIJAAPWON-AATRIKPKSA-N 2 2 332.492 3.030 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000492814270 311294600 /nfs/dbraw/zinc/29/46/00/311294600.db2.gz UFJXKAIJAAPWON-AATRIKPKSA-N 2 2 332.492 3.030 20 0 EGADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000493145980 311333937 /nfs/dbraw/zinc/33/39/37/311333937.db2.gz FAAXAMKEOLBGHR-FYCOFBDGSA-N 2 2 344.846 3.030 20 0 EGADLP CCCCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000494390118 311474637 /nfs/dbraw/zinc/47/46/37/311474637.db2.gz FOYZAFVIMXHXCI-INIZCTEOSA-N 2 2 329.444 3.175 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](COC(N)=O)Cc2ccccc2)c[nH+]1 ZINC000496244701 311684057 /nfs/dbraw/zinc/68/40/57/311684057.db2.gz IYUDIQMUFYNZKI-SFHVURJKSA-N 2 2 327.428 3.033 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000496642648 311743037 /nfs/dbraw/zinc/74/30/37/311743037.db2.gz LFZJCXUKGZKXMN-AWEZNQCLSA-N 2 2 336.480 3.002 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722199 312100898 /nfs/dbraw/zinc/10/08/98/312100898.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722199 312100900 /nfs/dbraw/zinc/10/09/00/312100900.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722199 312100905 /nfs/dbraw/zinc/10/09/05/312100905.db2.gz RLASPVPVOSFYOW-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510736169 312147389 /nfs/dbraw/zinc/14/73/89/312147389.db2.gz QFFGWMDCRLLEOQ-HOTGVXAUSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCc2c(F)cccc2F)C1 ZINC000510736169 312147390 /nfs/dbraw/zinc/14/73/90/312147390.db2.gz QFFGWMDCRLLEOQ-HOTGVXAUSA-N 2 2 340.458 3.232 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000516646169 312334993 /nfs/dbraw/zinc/33/49/93/312334993.db2.gz BWPBHMGXIYOFKY-AWEZNQCLSA-N 2 2 338.459 3.083 20 0 EGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCOCC1 ZINC000519705710 312472575 /nfs/dbraw/zinc/47/25/75/312472575.db2.gz FGHXTDOQSAYRJK-HNAYVOBHSA-N 2 2 336.907 3.219 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000521841601 312561211 /nfs/dbraw/zinc/56/12/11/312561211.db2.gz ULKLZVKPPRFRRQ-FQEVSTJZSA-N 2 2 348.531 3.294 20 0 EGADLP C/C(Cl)=C\C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368709 313075739 /nfs/dbraw/zinc/07/57/39/313075739.db2.gz WACBJOKCAGLIPP-XCVDJSHCSA-N 2 2 348.922 3.058 20 0 EGADLP C/C(Cl)=C\C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368709 313075741 /nfs/dbraw/zinc/07/57/41/313075741.db2.gz WACBJOKCAGLIPP-XCVDJSHCSA-N 2 2 348.922 3.058 20 0 EGADLP Cc1ccc2sc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)nc2c1 ZINC000528425210 313091243 /nfs/dbraw/zinc/09/12/43/313091243.db2.gz OSNAJVYCJQLINX-USXIJHARSA-N 2 2 345.512 3.288 20 0 EGADLP Cc1ccc2sc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)nc2c1 ZINC000528425210 313091245 /nfs/dbraw/zinc/09/12/45/313091245.db2.gz OSNAJVYCJQLINX-USXIJHARSA-N 2 2 345.512 3.288 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000528728357 313157719 /nfs/dbraw/zinc/15/77/19/313157719.db2.gz NEDHWTTYUVFHPB-UHFFFAOYSA-N 2 2 343.446 3.061 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ncccc1F ZINC000528825506 313184167 /nfs/dbraw/zinc/18/41/67/313184167.db2.gz SAAJPGNTUPSAJW-KRWDZBQOSA-N 2 2 342.462 3.084 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529380 313344197 /nfs/dbraw/zinc/34/41/97/313344197.db2.gz KTNZZBGVIJDOJZ-ZDUSSCGKSA-N 2 2 330.394 3.488 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529380 313344201 /nfs/dbraw/zinc/34/42/01/313344201.db2.gz KTNZZBGVIJDOJZ-ZDUSSCGKSA-N 2 2 330.394 3.488 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529380 313344205 /nfs/dbraw/zinc/34/42/05/313344205.db2.gz KTNZZBGVIJDOJZ-ZDUSSCGKSA-N 2 2 330.394 3.488 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529380 313344207 /nfs/dbraw/zinc/34/42/07/313344207.db2.gz KTNZZBGVIJDOJZ-ZDUSSCGKSA-N 2 2 330.394 3.488 20 0 EGADLP CC(C)[C@@H](C[NH2+]Cc1ccc(F)cn1)[N@H+]1CCc2ccccc2C1 ZINC000529534055 313347133 /nfs/dbraw/zinc/34/71/33/313347133.db2.gz NXHFRYPJKNYACH-HXUWFJFHSA-N 2 2 327.447 3.393 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582484 313361401 /nfs/dbraw/zinc/36/14/01/313361401.db2.gz MQJIBSBHCPXDDH-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582484 313361404 /nfs/dbraw/zinc/36/14/04/313361404.db2.gz MQJIBSBHCPXDDH-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582484 313361408 /nfs/dbraw/zinc/36/14/08/313361408.db2.gz MQJIBSBHCPXDDH-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C(F)(F)F)c1 ZINC000529582484 313361411 /nfs/dbraw/zinc/36/14/11/313361411.db2.gz MQJIBSBHCPXDDH-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP C/C(=C/c1ccccc1)CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000533452748 313907959 /nfs/dbraw/zinc/90/79/59/313907959.db2.gz KUEVTRXNRZPVEM-QUHSPFQSSA-N 2 2 336.483 3.159 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000536696222 314139479 /nfs/dbraw/zinc/13/94/79/314139479.db2.gz OYYVDNJXSGXSJA-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000536696222 314139484 /nfs/dbraw/zinc/13/94/84/314139484.db2.gz OYYVDNJXSGXSJA-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000536840279 314149276 /nfs/dbraw/zinc/14/92/76/314149276.db2.gz QYNDRVKJOTZNLK-OXQOHEQNSA-N 2 2 331.504 3.402 20 0 EGADLP OCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000537694441 314203720 /nfs/dbraw/zinc/20/37/20/314203720.db2.gz LESHQPXLTZFHBB-WIYYLYMNSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000537694441 314203722 /nfs/dbraw/zinc/20/37/22/314203722.db2.gz LESHQPXLTZFHBB-WIYYLYMNSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000537694441 314203724 /nfs/dbraw/zinc/20/37/24/314203724.db2.gz LESHQPXLTZFHBB-WIYYLYMNSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000537694441 314203726 /nfs/dbraw/zinc/20/37/26/314203726.db2.gz LESHQPXLTZFHBB-WIYYLYMNSA-N 2 2 340.467 3.258 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063238 314225718 /nfs/dbraw/zinc/22/57/18/314225718.db2.gz SZRRIPGDCBXWNE-UXHICEINSA-N 2 2 334.504 3.339 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063238 314225720 /nfs/dbraw/zinc/22/57/20/314225720.db2.gz SZRRIPGDCBXWNE-UXHICEINSA-N 2 2 334.504 3.339 20 0 EGADLP COc1ccc([C@H](C[NH+]2CCCC2)Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000542508620 314552171 /nfs/dbraw/zinc/55/21/71/314552171.db2.gz LAZJXEVQTYQJQS-KRWDZBQOSA-N 2 2 337.427 3.216 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000550895707 315137340 /nfs/dbraw/zinc/13/73/40/315137340.db2.gz SBPHZRNGRIJPCG-NHCUHLMSSA-N 2 2 342.527 3.498 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCCC12CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000550895707 315137342 /nfs/dbraw/zinc/13/73/42/315137342.db2.gz SBPHZRNGRIJPCG-NHCUHLMSSA-N 2 2 342.527 3.498 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)S1 ZINC000552090040 315196673 /nfs/dbraw/zinc/19/66/73/315196673.db2.gz HTDZHSUZZDEGOR-QZTJIDSGSA-N 2 2 333.545 3.025 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098652 315198039 /nfs/dbraw/zinc/19/80/39/315198039.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098652 315198042 /nfs/dbraw/zinc/19/80/42/315198042.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098652 315198046 /nfs/dbraw/zinc/19/80/46/315198046.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098652 315198050 /nfs/dbraw/zinc/19/80/50/315198050.db2.gz KQNYLTFASRUXID-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000552282860 315211237 /nfs/dbraw/zinc/21/12/37/315211237.db2.gz PWYNAWNXXHPFMI-UYAOXDASSA-N 2 2 348.450 3.175 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000554049782 315295145 /nfs/dbraw/zinc/29/51/45/315295145.db2.gz BRWGABWBATXZTA-YADHBBJMSA-N 2 2 341.543 3.363 20 0 EGADLP CC[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000554560881 315332498 /nfs/dbraw/zinc/33/24/98/315332498.db2.gz IQKAOCSRBIHCJH-VQTJNVASSA-N 2 2 328.500 3.372 20 0 EGADLP CC[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)[N@H+]1CCc2ccccc2C1 ZINC000554560881 315332500 /nfs/dbraw/zinc/33/25/00/315332500.db2.gz IQKAOCSRBIHCJH-VQTJNVASSA-N 2 2 328.500 3.372 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000554718242 315345266 /nfs/dbraw/zinc/34/52/66/315345266.db2.gz QPEZCKRWTRFYMR-BXUZGUMPSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000554718242 315345270 /nfs/dbraw/zinc/34/52/70/315345270.db2.gz QPEZCKRWTRFYMR-BXUZGUMPSA-N 2 2 341.268 3.346 20 0 EGADLP C[NH+]1CCC(CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000554791290 315349318 /nfs/dbraw/zinc/34/93/18/315349318.db2.gz QAUKFQZWDLHSQV-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000554843380 315351889 /nfs/dbraw/zinc/35/18/89/315351889.db2.gz NSADPNNEPYFYAB-HXUWFJFHSA-N 2 2 329.532 3.363 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000554843380 315351890 /nfs/dbraw/zinc/35/18/90/315351890.db2.gz NSADPNNEPYFYAB-HXUWFJFHSA-N 2 2 329.532 3.363 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000555129328 315368051 /nfs/dbraw/zinc/36/80/51/315368051.db2.gz JUDGMZWMCUTCHQ-SNVBAGLBSA-N 2 2 349.207 3.255 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000563528329 316033069 /nfs/dbraw/zinc/03/30/69/316033069.db2.gz XVCVEQQOYQETCA-PMACEKPBSA-N 3 2 332.451 3.208 20 0 EGADLP COc1ccc(C[N@H+](CCc2cc[nH+]cc2C)[C@H](CO)C(C)C)cc1 ZINC000563532914 316033765 /nfs/dbraw/zinc/03/37/65/316033765.db2.gz WJCVYJFEUULCOX-OAQYLSRUSA-N 2 2 342.483 3.460 20 0 EGADLP COc1ccc(C[N@@H+](CCc2cc[nH+]cc2C)[C@H](CO)C(C)C)cc1 ZINC000563532914 316033767 /nfs/dbraw/zinc/03/37/67/316033767.db2.gz WJCVYJFEUULCOX-OAQYLSRUSA-N 2 2 342.483 3.460 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000563688965 316056632 /nfs/dbraw/zinc/05/66/32/316056632.db2.gz CINKDWNFXJDTRM-UHFFFAOYSA-N 2 2 327.407 3.086 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(F)cn1 ZINC000563737037 316063652 /nfs/dbraw/zinc/06/36/52/316063652.db2.gz CJRPEOSTTUJGSC-OLZOCXBDSA-N 2 2 346.450 3.389 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000564065927 316108744 /nfs/dbraw/zinc/10/87/44/316108744.db2.gz FRVSHSDTQKQWSS-HNNXBMFYSA-N 2 2 327.476 3.055 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000564065927 316108747 /nfs/dbraw/zinc/10/87/47/316108747.db2.gz FRVSHSDTQKQWSS-HNNXBMFYSA-N 2 2 327.476 3.055 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)c2cc1C ZINC000564915085 316232375 /nfs/dbraw/zinc/23/23/75/316232375.db2.gz AWECULQCJQRRPT-SCTDSRPQSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]4CCCC[C@@H]43)c2cc1C ZINC000564915085 316232376 /nfs/dbraw/zinc/23/23/76/316232376.db2.gz AWECULQCJQRRPT-SCTDSRPQSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000564941326 316235738 /nfs/dbraw/zinc/23/57/38/316235738.db2.gz MKFZXLFIZGINNM-UHFFFAOYSA-N 2 2 334.423 3.019 20 0 EGADLP Cc1[nH]c(CNC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[nH+]c1C ZINC000565433008 316324383 /nfs/dbraw/zinc/32/43/83/316324383.db2.gz PHINOHLBVUWLFG-SFHVURJKSA-N 2 2 330.476 3.206 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])N1CCCCC1 ZINC000570918501 317126133 /nfs/dbraw/zinc/12/61/33/317126133.db2.gz RWNALQBVYQTBFL-ZCNNSNEGSA-N 2 2 345.531 3.472 20 0 EGADLP Cc1[nH+]c2ccccn2c1CNc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000571186457 317163665 /nfs/dbraw/zinc/16/36/65/317163665.db2.gz TYDCFAORNFCALO-CYBMUJFWSA-N 2 2 349.438 3.466 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000571288567 317179012 /nfs/dbraw/zinc/17/90/12/317179012.db2.gz QGWSPAHFUGVWFI-WBVHZDCISA-N 2 2 341.503 3.245 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000571288567 317179014 /nfs/dbraw/zinc/17/90/14/317179014.db2.gz QGWSPAHFUGVWFI-WBVHZDCISA-N 2 2 341.503 3.245 20 0 EGADLP CC(C)C(C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000571769111 317245560 /nfs/dbraw/zinc/24/55/60/317245560.db2.gz PMZCNKFQFHRBHE-UHFFFAOYSA-N 3 2 332.536 3.112 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000572566362 317356961 /nfs/dbraw/zinc/35/69/61/317356961.db2.gz GLECFIQZSOEUKK-QAPCUYQASA-N 2 2 349.438 3.119 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000572566362 317356964 /nfs/dbraw/zinc/35/69/64/317356964.db2.gz GLECFIQZSOEUKK-QAPCUYQASA-N 2 2 349.438 3.119 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000573800000 317529888 /nfs/dbraw/zinc/52/98/88/317529888.db2.gz OQZJYZQCVRVKAL-CQSZACIVSA-N 2 2 326.444 3.349 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774777 455754066 /nfs/dbraw/zinc/75/40/66/455754066.db2.gz KUQZXFDJKWJGLU-INIZCTEOSA-N 2 2 330.806 3.469 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774777 455754070 /nfs/dbraw/zinc/75/40/70/455754070.db2.gz KUQZXFDJKWJGLU-INIZCTEOSA-N 2 2 330.806 3.469 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774777 455754074 /nfs/dbraw/zinc/75/40/74/455754074.db2.gz KUQZXFDJKWJGLU-INIZCTEOSA-N 2 2 330.806 3.469 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000272441594 455952881 /nfs/dbraw/zinc/95/28/81/455952881.db2.gz TXNLYLRPDIEPGE-TZMCWYRMSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000272441594 455952885 /nfs/dbraw/zinc/95/28/85/455952885.db2.gz TXNLYLRPDIEPGE-TZMCWYRMSA-N 2 2 335.249 3.124 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581975 456372137 /nfs/dbraw/zinc/37/21/37/456372137.db2.gz UQZURXPHKIGNNW-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP c1cn(CCc2nc(-c3ccccc3C[NH+]3CCCCC3)no2)c[nH+]1 ZINC000349858315 324043882 /nfs/dbraw/zinc/04/38/82/324043882.db2.gz CFPDRBQVMMHPJB-UHFFFAOYSA-N 2 2 337.427 3.162 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000340583423 456546262 /nfs/dbraw/zinc/54/62/62/456546262.db2.gz MVFRXVMPYBPIHE-HZMBPMFUSA-N 2 2 338.224 3.450 20 0 EGADLP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386903385 324270388 /nfs/dbraw/zinc/27/03/88/324270388.db2.gz ZDNKMKLJNUHCPF-FUHWJXTLSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@H](Nc1[nH+]c2ccccc2n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386903385 324270390 /nfs/dbraw/zinc/27/03/90/324270390.db2.gz ZDNKMKLJNUHCPF-FUHWJXTLSA-N 2 2 334.467 3.318 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)c2ccccn21 ZINC000579482529 325116771 /nfs/dbraw/zinc/11/67/71/325116771.db2.gz WMRIHYDMTFZTTM-HZPDHXFCSA-N 2 2 342.487 3.337 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000580080922 325200991 /nfs/dbraw/zinc/20/09/91/325200991.db2.gz WXCLODQSPGNOSH-IAGOWNOFSA-N 2 2 340.471 3.176 20 0 EGADLP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000581243198 325345316 /nfs/dbraw/zinc/34/53/16/325345316.db2.gz QEFYPVLJSCUIJT-MSOLQXFVSA-N 2 2 340.471 3.276 20 0 EGADLP c1ccc(-c2noc(CCC[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000581243198 325345318 /nfs/dbraw/zinc/34/53/18/325345318.db2.gz QEFYPVLJSCUIJT-MSOLQXFVSA-N 2 2 340.471 3.276 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412486 325358779 /nfs/dbraw/zinc/35/87/79/325358779.db2.gz QZBZUDNMSKPGMG-RDJZCZTQSA-N 2 2 347.507 3.060 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000581412486 325358781 /nfs/dbraw/zinc/35/87/81/325358781.db2.gz QZBZUDNMSKPGMG-RDJZCZTQSA-N 2 2 347.507 3.060 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000581662862 325380713 /nfs/dbraw/zinc/38/07/13/325380713.db2.gz BFMCNURXRODANS-LVCYWYKZSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000581662862 325380715 /nfs/dbraw/zinc/38/07/15/325380715.db2.gz BFMCNURXRODANS-LVCYWYKZSA-N 2 2 326.484 3.261 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c2ccccc21 ZINC000583558856 325533901 /nfs/dbraw/zinc/53/39/01/325533901.db2.gz PTDULZUBDUAGDA-AABGKKOBSA-N 2 2 335.451 3.085 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583573557 325535455 /nfs/dbraw/zinc/53/54/55/325535455.db2.gz ZKXCMNLWPOUTTJ-UHFFFAOYSA-N 2 2 330.476 3.083 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)s1 ZINC000339320038 457053883 /nfs/dbraw/zinc/05/38/83/457053883.db2.gz HKWWAWCSLLZSQE-AWEZNQCLSA-N 2 2 327.563 3.464 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000180702763 455230630 /nfs/dbraw/zinc/23/06/30/455230630.db2.gz AZHWCDWHTMSSOZ-RYRKJORJSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000180702763 455230633 /nfs/dbraw/zinc/23/06/33/455230633.db2.gz AZHWCDWHTMSSOZ-RYRKJORJSA-N 2 2 347.503 3.002 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138814 455236914 /nfs/dbraw/zinc/23/69/14/455236914.db2.gz KFEUDAZZXCCTDB-IHPCNDPISA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138814 455236916 /nfs/dbraw/zinc/23/69/16/455236916.db2.gz KFEUDAZZXCCTDB-IHPCNDPISA-N 2 2 325.456 3.373 20 0 EGADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000532476717 459094189 /nfs/dbraw/zinc/09/41/89/459094189.db2.gz JQYVULYWMDANQU-UHFFFAOYSA-N 2 2 344.286 3.206 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000157948374 455252389 /nfs/dbraw/zinc/25/23/89/455252389.db2.gz WWKYDYZDSCXMTR-QGZVFWFLSA-N 2 2 326.444 3.383 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000157948374 455252394 /nfs/dbraw/zinc/25/23/94/455252394.db2.gz WWKYDYZDSCXMTR-QGZVFWFLSA-N 2 2 326.444 3.383 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000173432999 455281949 /nfs/dbraw/zinc/28/19/49/455281949.db2.gz NCZCKEABRKKIBW-ZIAGYGMSSA-N 2 2 330.394 3.324 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2F)CC12CCOCC2 ZINC000631827344 460574412 /nfs/dbraw/zinc/57/44/12/460574412.db2.gz LXSCSMDSPZSIGR-GFCCVEGCSA-N 2 2 347.261 3.320 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2F)CC12CCOCC2 ZINC000631827344 460574417 /nfs/dbraw/zinc/57/44/17/460574417.db2.gz LXSCSMDSPZSIGR-GFCCVEGCSA-N 2 2 347.261 3.320 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000265481463 455332651 /nfs/dbraw/zinc/33/26/51/455332651.db2.gz LDPCJDCNBAAUPX-UHFFFAOYSA-N 2 2 346.862 3.498 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)co2)cc1F ZINC000631889674 460589140 /nfs/dbraw/zinc/58/91/40/460589140.db2.gz LEWWHHWWBFZOJT-SUMWQHHRSA-N 2 2 333.382 3.194 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)co2)cc1F ZINC000631889674 460589144 /nfs/dbraw/zinc/58/91/44/460589144.db2.gz LEWWHHWWBFZOJT-SUMWQHHRSA-N 2 2 333.382 3.194 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000013694411 453482694 /nfs/dbraw/zinc/48/26/94/453482694.db2.gz MOWMHDDWLKXNFN-UHFFFAOYSA-N 2 2 325.243 3.049 20 0 EGADLP O[C@@H](C[NH2+]Cc1cccc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000030903595 453841551 /nfs/dbraw/zinc/84/15/51/453841551.db2.gz LPOYIQGAGDSIFO-QFIPXVFZSA-N 2 2 346.474 3.349 20 0 EGADLP O[C@@H](C[NH2+]Cc1cccc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000030903595 453841553 /nfs/dbraw/zinc/84/15/53/453841553.db2.gz LPOYIQGAGDSIFO-QFIPXVFZSA-N 2 2 346.474 3.349 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000075142003 453866044 /nfs/dbraw/zinc/86/60/44/453866044.db2.gz ZEFKDVAKMZFLTR-UHFFFAOYSA-N 2 2 337.427 3.402 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081634864 453899290 /nfs/dbraw/zinc/89/92/90/453899290.db2.gz JZEUZMQECFRFGI-QFBILLFUSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081634864 453899293 /nfs/dbraw/zinc/89/92/93/453899293.db2.gz JZEUZMQECFRFGI-QFBILLFUSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081634864 453899294 /nfs/dbraw/zinc/89/92/94/453899294.db2.gz JZEUZMQECFRFGI-QFBILLFUSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081634864 453899297 /nfs/dbraw/zinc/89/92/97/453899297.db2.gz JZEUZMQECFRFGI-QFBILLFUSA-N 2 2 343.515 3.240 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860011 453932500 /nfs/dbraw/zinc/93/25/00/453932500.db2.gz OCAZMIYSZDBLLF-GJZGRUSLSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860011 453932504 /nfs/dbraw/zinc/93/25/04/453932504.db2.gz OCAZMIYSZDBLLF-GJZGRUSLSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860011 453932507 /nfs/dbraw/zinc/93/25/07/453932507.db2.gz OCAZMIYSZDBLLF-GJZGRUSLSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860011 453932513 /nfs/dbraw/zinc/93/25/13/453932513.db2.gz OCAZMIYSZDBLLF-GJZGRUSLSA-N 2 2 337.895 3.473 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000076002568 453947577 /nfs/dbraw/zinc/94/75/77/453947577.db2.gz KLDXGWWAEDHPNL-HXUWFJFHSA-N 2 2 345.531 3.087 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000076002568 453947579 /nfs/dbraw/zinc/94/75/79/453947579.db2.gz KLDXGWWAEDHPNL-HXUWFJFHSA-N 2 2 345.531 3.087 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000076001545 453947824 /nfs/dbraw/zinc/94/78/24/453947824.db2.gz DGMFMALKALKLPJ-XBMUEBEBSA-N 2 2 349.563 3.220 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000076001545 453947826 /nfs/dbraw/zinc/94/78/26/453947826.db2.gz DGMFMALKALKLPJ-XBMUEBEBSA-N 2 2 349.563 3.220 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccsc1 ZINC000077189567 454073126 /nfs/dbraw/zinc/07/31/26/454073126.db2.gz ZHDGDLTZUXJGMR-HNNXBMFYSA-N 2 2 342.472 3.219 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077225128 454077636 /nfs/dbraw/zinc/07/76/36/454077636.db2.gz XVDLQDPAQJVJFN-INIZCTEOSA-N 2 2 348.454 3.300 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069804792 454145960 /nfs/dbraw/zinc/14/59/60/454145960.db2.gz CDMQLLJCRRCHKY-INIZCTEOSA-N 2 2 342.405 3.250 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069804792 454145963 /nfs/dbraw/zinc/14/59/63/454145963.db2.gz CDMQLLJCRRCHKY-INIZCTEOSA-N 2 2 342.405 3.250 20 0 EGADLP COc1cc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)c(SC)cc1OC ZINC000089428600 454148843 /nfs/dbraw/zinc/14/88/43/454148843.db2.gz JIJBBSHTVBGCRS-OAHLLOKOSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)c(SC)cc1OC ZINC000089428600 454148844 /nfs/dbraw/zinc/14/88/44/454148844.db2.gz JIJBBSHTVBGCRS-OAHLLOKOSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)c(SC)cc1OC ZINC000089428600 454148847 /nfs/dbraw/zinc/14/88/47/454148847.db2.gz JIJBBSHTVBGCRS-OAHLLOKOSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)c(SC)cc1OC ZINC000089428600 454148849 /nfs/dbraw/zinc/14/88/49/454148849.db2.gz JIJBBSHTVBGCRS-OAHLLOKOSA-N 2 2 338.517 3.342 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000069833364 454151273 /nfs/dbraw/zinc/15/12/73/454151273.db2.gz HVZSXBVPEMXLNZ-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000069833364 454151277 /nfs/dbraw/zinc/15/12/77/454151277.db2.gz HVZSXBVPEMXLNZ-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP COc1ccc(Cl)cc1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000045726943 454176338 /nfs/dbraw/zinc/17/63/38/454176338.db2.gz SMYTZYIZWDDPTP-UHFFFAOYSA-N 2 2 346.862 3.078 20 0 EGADLP Cc1nc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc[nH+]1 ZINC000078259455 454217967 /nfs/dbraw/zinc/21/79/67/454217967.db2.gz NTRMIEMOFDBEOT-OAHLLOKOSA-N 2 2 326.444 3.097 20 0 EGADLP C[C@H](CCSc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926743 454236760 /nfs/dbraw/zinc/23/67/60/454236760.db2.gz HONKAFANTJJDIN-MRXNPFEDSA-N 2 2 330.501 3.113 20 0 EGADLP c1cn(CCC[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)c[nH+]1 ZINC000095987242 454253425 /nfs/dbraw/zinc/25/34/25/454253425.db2.gz SJHRILKQIOLXMW-UHFFFAOYSA-N 2 2 337.427 3.203 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000120066341 454253848 /nfs/dbraw/zinc/25/38/48/454253848.db2.gz JDPXBPARGRNYDS-UHFFFAOYSA-N 2 2 338.415 3.100 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000078489127 454262883 /nfs/dbraw/zinc/26/28/83/454262883.db2.gz DZJGEIFDYCHUJI-SFHVURJKSA-N 2 2 349.906 3.031 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858110 454353135 /nfs/dbraw/zinc/35/31/35/454353135.db2.gz UVNBKHZLEBKKES-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858110 454353140 /nfs/dbraw/zinc/35/31/40/454353140.db2.gz UVNBKHZLEBKKES-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858110 454353145 /nfs/dbraw/zinc/35/31/45/454353145.db2.gz UVNBKHZLEBKKES-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858110 454353152 /nfs/dbraw/zinc/35/31/52/454353152.db2.gz UVNBKHZLEBKKES-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)c1 ZINC000121016565 454377554 /nfs/dbraw/zinc/37/75/54/454377554.db2.gz ZJMVGKRUZFPDKG-HXUWFJFHSA-N 2 2 335.451 3.496 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000121040407 454382632 /nfs/dbraw/zinc/38/26/32/454382632.db2.gz VWKRZNNQMJNKDE-UHFFFAOYSA-N 2 2 330.407 3.125 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000121103574 454391990 /nfs/dbraw/zinc/39/19/90/454391990.db2.gz WJKOJYQPGJFZIA-CYBMUJFWSA-N 2 2 330.457 3.020 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000121103574 454391996 /nfs/dbraw/zinc/39/19/96/454391996.db2.gz WJKOJYQPGJFZIA-CYBMUJFWSA-N 2 2 330.457 3.020 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000047675798 454398463 /nfs/dbraw/zinc/39/84/63/454398463.db2.gz VQYGKMYBOPKEGD-UHFFFAOYSA-N 2 2 345.531 3.082 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000047675798 454398467 /nfs/dbraw/zinc/39/84/67/454398467.db2.gz VQYGKMYBOPKEGD-UHFFFAOYSA-N 2 2 345.531 3.082 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097236857 454428720 /nfs/dbraw/zinc/42/87/20/454428720.db2.gz CXADCWDZDJQSSX-HNNXBMFYSA-N 2 2 339.443 3.166 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097236857 454428726 /nfs/dbraw/zinc/42/87/26/454428726.db2.gz CXADCWDZDJQSSX-HNNXBMFYSA-N 2 2 339.443 3.166 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000121479466 454440269 /nfs/dbraw/zinc/44/02/69/454440269.db2.gz VBBOAOTVAZSFGQ-ZCNNSNEGSA-N 2 2 340.511 3.371 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000121479466 454440273 /nfs/dbraw/zinc/44/02/73/454440273.db2.gz VBBOAOTVAZSFGQ-ZCNNSNEGSA-N 2 2 340.511 3.371 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000133684482 454454661 /nfs/dbraw/zinc/45/46/61/454454661.db2.gz LAPXNEPYROULIH-UXIGCNINSA-N 2 2 326.893 3.234 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000098144655 454461851 /nfs/dbraw/zinc/46/18/51/454461851.db2.gz ZMUJWIPEOWYSDS-XPGWFJOJSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000098144655 454461857 /nfs/dbraw/zinc/46/18/57/454461857.db2.gz ZMUJWIPEOWYSDS-XPGWFJOJSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1nc2c(s1)CCCC2 ZINC000091726546 454462398 /nfs/dbraw/zinc/46/23/98/454462398.db2.gz LXTVAORBSKRIMM-HUUCEWRRSA-N 2 2 349.544 3.173 20 0 EGADLP CC[NH+](CC)CCCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000073640189 454462601 /nfs/dbraw/zinc/46/26/01/454462601.db2.gz LBVNCAPZPQIOCM-UHFFFAOYSA-N 2 2 328.460 3.033 20 0 EGADLP CCOc1c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)nn1CC(C)C ZINC000092253365 454542329 /nfs/dbraw/zinc/54/23/29/454542329.db2.gz WGPMGKBSFQOXDR-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)nn1CC(C)C ZINC000092253365 454542337 /nfs/dbraw/zinc/54/23/37/454542337.db2.gz WGPMGKBSFQOXDR-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000092253365 454542339 /nfs/dbraw/zinc/54/23/39/454542339.db2.gz WGPMGKBSFQOXDR-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)nn1CC(C)C ZINC000092253365 454542343 /nfs/dbraw/zinc/54/23/43/454542343.db2.gz WGPMGKBSFQOXDR-QGZVFWFLSA-N 2 2 336.524 3.020 20 0 EGADLP C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000080197740 454548595 /nfs/dbraw/zinc/54/85/95/454548595.db2.gz JWWCSMSWEQVTAY-GOSISDBHSA-N 3 2 328.504 3.267 20 0 EGADLP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000080197740 454548598 /nfs/dbraw/zinc/54/85/98/454548598.db2.gz JWWCSMSWEQVTAY-GOSISDBHSA-N 3 2 328.504 3.267 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2Br)CC[C@@H]1[NH3+] ZINC000122885186 454578426 /nfs/dbraw/zinc/57/84/26/454578426.db2.gz XUGXVMXCQGTBLM-ABAIWWIYSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Br)CC[C@@H]1[NH3+] ZINC000122885186 454578434 /nfs/dbraw/zinc/57/84/34/454578434.db2.gz XUGXVMXCQGTBLM-ABAIWWIYSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccccc3F)c2cc1C ZINC000051118155 454608623 /nfs/dbraw/zinc/60/86/23/454608623.db2.gz KEQYLUIUMHOMRP-QGZVFWFLSA-N 2 2 341.430 3.285 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccccc3F)c2cc1C ZINC000051118155 454608628 /nfs/dbraw/zinc/60/86/28/454608628.db2.gz KEQYLUIUMHOMRP-QGZVFWFLSA-N 2 2 341.430 3.285 20 0 EGADLP CCS[C@@H](C)c1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123233452 454618724 /nfs/dbraw/zinc/61/87/24/454618724.db2.gz NFLADQCRKMKMLK-AWEZNQCLSA-N 2 2 340.537 3.438 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000106213809 454687034 /nfs/dbraw/zinc/68/70/34/454687034.db2.gz GAFJJPKFFPBDFA-JYSRZZCRSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000106213809 454687037 /nfs/dbraw/zinc/68/70/37/454687037.db2.gz GAFJJPKFFPBDFA-JYSRZZCRSA-N 2 2 346.519 3.166 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866151 454741722 /nfs/dbraw/zinc/74/17/22/454741722.db2.gz PNXJJKOARSFKEI-HNNXBMFYSA-N 2 2 349.228 3.203 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866151 454741727 /nfs/dbraw/zinc/74/17/27/454741727.db2.gz PNXJJKOARSFKEI-HNNXBMFYSA-N 2 2 349.228 3.203 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866311 454741919 /nfs/dbraw/zinc/74/19/19/454741919.db2.gz BPGRQKOTCGZWMK-HXUWFJFHSA-N 2 2 342.439 3.150 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866311 454741923 /nfs/dbraw/zinc/74/19/23/454741923.db2.gz BPGRQKOTCGZWMK-HXUWFJFHSA-N 2 2 342.439 3.150 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000124577291 454749308 /nfs/dbraw/zinc/74/93/08/454749308.db2.gz BQKOJQHAOPNKRZ-ZYHUDNBSSA-N 2 2 347.684 3.293 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000124577291 454749309 /nfs/dbraw/zinc/74/93/09/454749309.db2.gz BQKOJQHAOPNKRZ-ZYHUDNBSSA-N 2 2 347.684 3.293 20 0 EGADLP Cc1nc(N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC000162133253 454753470 /nfs/dbraw/zinc/75/34/70/454753470.db2.gz HGISVNCDEOCICF-UHFFFAOYSA-N 2 2 338.377 3.372 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000162274050 454764638 /nfs/dbraw/zinc/76/46/38/454764638.db2.gz IUWGLNZSKPKPEM-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124850876 454776571 /nfs/dbraw/zinc/77/65/71/454776571.db2.gz NGIAOFBTTNVZBI-ROUUACIJSA-N 2 2 337.552 3.218 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124850876 454776576 /nfs/dbraw/zinc/77/65/76/454776576.db2.gz NGIAOFBTTNVZBI-ROUUACIJSA-N 2 2 337.552 3.218 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000109793496 454836523 /nfs/dbraw/zinc/83/65/23/454836523.db2.gz FDTHMGGADQXSAS-UHFFFAOYSA-N 2 2 332.835 3.121 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1 ZINC000109794874 454836900 /nfs/dbraw/zinc/83/69/00/454836900.db2.gz ZYPMEQHZWGDUFX-UHFFFAOYSA-N 2 2 337.427 3.333 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793146 454837366 /nfs/dbraw/zinc/83/73/66/454837366.db2.gz RAYWEBVDRVCIIO-UHFFFAOYSA-N 2 2 332.835 3.121 20 0 EGADLP O=C(c1ccccc1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177247259 454842506 /nfs/dbraw/zinc/84/25/06/454842506.db2.gz KMUZHHXGNYCROK-UHFFFAOYSA-N 2 2 346.434 3.362 20 0 EGADLP CCOc1ccccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153990200 454854347 /nfs/dbraw/zinc/85/43/47/454854347.db2.gz GVUFJVJFBGRMGQ-OALUTQOASA-N 2 2 345.531 3.076 20 0 EGADLP CC[C@](C)([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1nc(C)cs1 ZINC000177357110 454855547 /nfs/dbraw/zinc/85/55/47/454855547.db2.gz UWLKDNGJZANKSQ-KRWDZBQOSA-N 2 2 327.457 3.447 20 0 EGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177419602 454862089 /nfs/dbraw/zinc/86/20/89/454862089.db2.gz OFGFPIPYGMTPJX-UHFFFAOYSA-N 2 2 338.455 3.009 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154085534 454863930 /nfs/dbraw/zinc/86/39/30/454863930.db2.gz XYRWDMAPJFGTSS-QFUCXCTJSA-N 2 2 342.483 3.073 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154085534 454863934 /nfs/dbraw/zinc/86/39/34/454863934.db2.gz XYRWDMAPJFGTSS-QFUCXCTJSA-N 2 2 342.483 3.073 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCC3)cc1 ZINC000154266256 454880260 /nfs/dbraw/zinc/88/02/60/454880260.db2.gz ZYIWBXJXXMQBGG-CVEARBPZSA-N 2 2 345.512 3.008 20 0 EGADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000154287873 454881539 /nfs/dbraw/zinc/88/15/39/454881539.db2.gz BBENSMYEUCUIIW-YLJYHZDGSA-N 2 2 342.483 3.147 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000126379924 454890374 /nfs/dbraw/zinc/89/03/74/454890374.db2.gz IYFMOOGCVCDTNF-HNNXBMFYSA-N 2 2 334.485 3.489 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000126379924 454890376 /nfs/dbraw/zinc/89/03/76/454890376.db2.gz IYFMOOGCVCDTNF-HNNXBMFYSA-N 2 2 334.485 3.489 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780210 454891611 /nfs/dbraw/zinc/89/16/11/454891611.db2.gz RKSSTCSTLVVZGA-HUUCEWRRSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150780210 454891617 /nfs/dbraw/zinc/89/16/17/454891617.db2.gz RKSSTCSTLVVZGA-HUUCEWRRSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@]4(C)CC[NH2+]C4)cc3)[nH+]c12 ZINC000165502403 454900637 /nfs/dbraw/zinc/90/06/37/454900637.db2.gz YTZXTJJPISWXGI-HXUWFJFHSA-N 2 2 334.423 3.248 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC000113340181 454923781 /nfs/dbraw/zinc/92/37/81/454923781.db2.gz QTSABVVDGLTXNE-INIZCTEOSA-N 2 2 345.512 3.462 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)cs2)cc1 ZINC000113340181 454923784 /nfs/dbraw/zinc/92/37/84/454923784.db2.gz QTSABVVDGLTXNE-INIZCTEOSA-N 2 2 345.512 3.462 20 0 EGADLP CC[NH+](CC)CCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000114675374 454968947 /nfs/dbraw/zinc/96/89/47/454968947.db2.gz PNWCRAZNONLLSV-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346872 454971928 /nfs/dbraw/zinc/97/19/28/454971928.db2.gz GWPOACDVLYPEJW-WBMJQRKESA-N 2 2 343.298 3.417 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346673 454972063 /nfs/dbraw/zinc/97/20/63/454972063.db2.gz GWPOACDVLYPEJW-BLLLJJGKSA-N 2 2 343.298 3.417 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@](C)(O)c3cccc(Cl)c3)n2c1 ZINC000185114316 455504131 /nfs/dbraw/zinc/50/41/31/455504131.db2.gz YHQAJATYFQJHFS-SFHVURJKSA-N 2 2 329.831 3.293 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000128335864 455046707 /nfs/dbraw/zinc/04/67/07/455046707.db2.gz LNCXYQXXMWGDFZ-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000128335864 455046708 /nfs/dbraw/zinc/04/67/08/455046708.db2.gz LNCXYQXXMWGDFZ-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000156228613 455095806 /nfs/dbraw/zinc/09/58/06/455095806.db2.gz VCSQCTMIIXPSBM-OAHLLOKOSA-N 2 2 346.438 3.427 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCC(=O)N3Cc4ccccc4C3)n2c1 ZINC000156709326 455146108 /nfs/dbraw/zinc/14/61/08/455146108.db2.gz IQTKAOPFDNRLMB-UHFFFAOYSA-N 2 2 348.450 3.055 20 0 EGADLP Fc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1Br ZINC000156736689 455147399 /nfs/dbraw/zinc/14/73/99/455147399.db2.gz OGIGWPJMBGEVAA-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000172537190 455160929 /nfs/dbraw/zinc/16/09/29/455160929.db2.gz IJXKGJKFIYXJAY-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000172537190 455160930 /nfs/dbraw/zinc/16/09/30/455160930.db2.gz IJXKGJKFIYXJAY-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189386468 455188143 /nfs/dbraw/zinc/18/81/43/455188143.db2.gz HUHBOAQQTDMLBQ-MSOLQXFVSA-N 2 2 340.870 3.337 20 0 EGADLP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cccc2[nH+]ccn21 ZINC000180566801 455199001 /nfs/dbraw/zinc/19/90/01/455199001.db2.gz CLPZQDVSAUHFGW-UHFFFAOYSA-N 2 2 342.409 3.431 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@H](C)CCn2cccn2)[NH+]2CCCC2)c1 ZINC000157487200 455199261 /nfs/dbraw/zinc/19/92/61/455199261.db2.gz BWSGDCVQKNRCBA-YLJYHZDGSA-N 2 2 342.487 3.097 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000157537832 455205036 /nfs/dbraw/zinc/20/50/36/455205036.db2.gz YFBNIQZTEGQAPW-YLJYHZDGSA-N 2 2 326.488 3.088 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000157537832 455205040 /nfs/dbraw/zinc/20/50/40/455205040.db2.gz YFBNIQZTEGQAPW-YLJYHZDGSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000157616108 455213312 /nfs/dbraw/zinc/21/33/12/455213312.db2.gz LHQWKAVFFJRCNC-MRXNPFEDSA-N 2 2 330.451 3.055 20 0 EGADLP Cc1nc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)oc1C ZINC000264764879 455278743 /nfs/dbraw/zinc/27/87/43/455278743.db2.gz OGSFYNQGPPZGRE-UHFFFAOYSA-N 2 2 336.439 3.470 20 0 EGADLP CC1CC[NH+](CCCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000158207486 455279997 /nfs/dbraw/zinc/27/99/97/455279997.db2.gz OETLBTHEHCIFJH-UHFFFAOYSA-N 3 2 344.547 3.148 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183343797 455280281 /nfs/dbraw/zinc/28/02/81/455280281.db2.gz LPJIVLIWSJNJTR-ZDUSSCGKSA-N 2 2 334.357 3.150 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183343797 455280286 /nfs/dbraw/zinc/28/02/86/455280286.db2.gz LPJIVLIWSJNJTR-ZDUSSCGKSA-N 2 2 334.357 3.150 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000245439839 455300520 /nfs/dbraw/zinc/30/05/20/455300520.db2.gz GBJGKHRORVVCCP-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000245439839 455300524 /nfs/dbraw/zinc/30/05/24/455300524.db2.gz GBJGKHRORVVCCP-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158564914 455312611 /nfs/dbraw/zinc/31/26/11/455312611.db2.gz LARKYZKVAUACEV-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158564914 455312615 /nfs/dbraw/zinc/31/26/15/455312615.db2.gz LARKYZKVAUACEV-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158564914 455312622 /nfs/dbraw/zinc/31/26/22/455312622.db2.gz LARKYZKVAUACEV-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158564914 455312632 /nfs/dbraw/zinc/31/26/32/455312632.db2.gz LARKYZKVAUACEV-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183662389 455317117 /nfs/dbraw/zinc/31/71/17/455317117.db2.gz IUBXUJHDDCUNLX-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000190470740 455325543 /nfs/dbraw/zinc/32/55/43/455325543.db2.gz GEHNKHXVMGXQMK-AWEZNQCLSA-N 2 2 349.475 3.250 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000190470740 455325548 /nfs/dbraw/zinc/32/55/48/455325548.db2.gz GEHNKHXVMGXQMK-AWEZNQCLSA-N 2 2 349.475 3.250 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000190470740 455325552 /nfs/dbraw/zinc/32/55/52/455325552.db2.gz GEHNKHXVMGXQMK-AWEZNQCLSA-N 2 2 349.475 3.250 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000190470740 455325559 /nfs/dbraw/zinc/32/55/59/455325559.db2.gz GEHNKHXVMGXQMK-AWEZNQCLSA-N 2 2 349.475 3.250 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730000 455325786 /nfs/dbraw/zinc/32/57/86/455325786.db2.gz XXRZZPYTEUZZOC-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730000 455325791 /nfs/dbraw/zinc/32/57/91/455325791.db2.gz XXRZZPYTEUZZOC-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730000 455325796 /nfs/dbraw/zinc/32/57/96/455325796.db2.gz XXRZZPYTEUZZOC-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158730000 455325800 /nfs/dbraw/zinc/32/58/00/455325800.db2.gz XXRZZPYTEUZZOC-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245606426 455340154 /nfs/dbraw/zinc/34/01/54/455340154.db2.gz NHRYMRIKZVLFFW-JTDSTZFVSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245606426 455340157 /nfs/dbraw/zinc/34/01/57/455340157.db2.gz NHRYMRIKZVLFFW-JTDSTZFVSA-N 2 2 340.471 3.356 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000600996909 460668658 /nfs/dbraw/zinc/66/86/58/460668658.db2.gz MMWNNGXCAMVMST-IRXDYDNUSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245706900 455360178 /nfs/dbraw/zinc/36/01/78/455360178.db2.gz SDUXYFPGLNYEDH-GPMSIDNRSA-N 2 2 336.443 3.108 20 0 EGADLP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245706900 455360181 /nfs/dbraw/zinc/36/01/81/455360181.db2.gz SDUXYFPGLNYEDH-GPMSIDNRSA-N 2 2 336.443 3.108 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000246320556 455471413 /nfs/dbraw/zinc/47/14/13/455471413.db2.gz GWFXGEALBHTDEF-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000246320556 455471418 /nfs/dbraw/zinc/47/14/18/455471418.db2.gz GWFXGEALBHTDEF-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266922734 455476500 /nfs/dbraw/zinc/47/65/00/455476500.db2.gz MKCXBYMLNMBRCH-ZBFHGGJFSA-N 2 2 337.427 3.324 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266922734 455476505 /nfs/dbraw/zinc/47/65/05/455476505.db2.gz MKCXBYMLNMBRCH-ZBFHGGJFSA-N 2 2 337.427 3.324 20 0 EGADLP Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000266929010 455477122 /nfs/dbraw/zinc/47/71/22/455477122.db2.gz NZQOVRGIGGNGQN-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC000266929010 455477126 /nfs/dbraw/zinc/47/71/26/455477126.db2.gz NZQOVRGIGGNGQN-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@](C)(Cc3ccccc3)[C@H](C)O)c[nH+]c12 ZINC000191715183 455512811 /nfs/dbraw/zinc/51/28/11/455512811.db2.gz VUYGLWAWHUKTRB-LAUBAEHRSA-N 2 2 337.467 3.362 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247025144 455545403 /nfs/dbraw/zinc/54/54/03/455545403.db2.gz DJSLLUHBKWITAN-HHXXYDBFSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247025144 455545407 /nfs/dbraw/zinc/54/54/07/455545407.db2.gz DJSLLUHBKWITAN-HHXXYDBFSA-N 2 2 340.471 3.410 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247021367 455545802 /nfs/dbraw/zinc/54/58/02/455545802.db2.gz JPVCAQJDAPZOAS-HCXYKTFWSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247021367 455545808 /nfs/dbraw/zinc/54/58/08/455545808.db2.gz JPVCAQJDAPZOAS-HCXYKTFWSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247027008 455547209 /nfs/dbraw/zinc/54/72/09/455547209.db2.gz YDIPTMCRSMYJIF-KPFFTGBYSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247027008 455547213 /nfs/dbraw/zinc/54/72/13/455547213.db2.gz YDIPTMCRSMYJIF-KPFFTGBYSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247027008 455547215 /nfs/dbraw/zinc/54/72/15/455547215.db2.gz YDIPTMCRSMYJIF-KPFFTGBYSA-N 2 2 347.547 3.020 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247039142 455549053 /nfs/dbraw/zinc/54/90/53/455549053.db2.gz YTUPJDOUANBUOP-WMLDXEAASA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247039142 455549056 /nfs/dbraw/zinc/54/90/56/455549056.db2.gz YTUPJDOUANBUOP-WMLDXEAASA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247039142 455549059 /nfs/dbraw/zinc/54/90/59/455549059.db2.gz YTUPJDOUANBUOP-WMLDXEAASA-N 2 2 346.471 3.077 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247203902 455573012 /nfs/dbraw/zinc/57/30/12/455573012.db2.gz WHWYMWQAUOEJPL-MAUKXSAKSA-N 2 2 333.451 3.103 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247203902 455573017 /nfs/dbraw/zinc/57/30/17/455573017.db2.gz WHWYMWQAUOEJPL-MAUKXSAKSA-N 2 2 333.451 3.103 20 0 EGADLP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247239719 455577534 /nfs/dbraw/zinc/57/75/34/455577534.db2.gz XLCDMYBYYUXGRS-MISYRCLQSA-N 2 2 333.520 3.333 20 0 EGADLP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247239719 455577539 /nfs/dbraw/zinc/57/75/39/455577539.db2.gz XLCDMYBYYUXGRS-MISYRCLQSA-N 2 2 333.520 3.333 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000182733925 455577651 /nfs/dbraw/zinc/57/76/51/455577651.db2.gz ZRWWCSNARMBCMD-HNNXBMFYSA-N 2 2 338.496 3.111 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247296520 455584098 /nfs/dbraw/zinc/58/40/98/455584098.db2.gz UKRKGXGOHAIRTC-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247296520 455584101 /nfs/dbraw/zinc/58/41/01/455584101.db2.gz UKRKGXGOHAIRTC-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247296520 455584103 /nfs/dbraw/zinc/58/41/03/455584103.db2.gz UKRKGXGOHAIRTC-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247296520 455584106 /nfs/dbraw/zinc/58/41/06/455584106.db2.gz UKRKGXGOHAIRTC-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247566540 455626435 /nfs/dbraw/zinc/62/64/35/455626435.db2.gz RHLRTKVEVFBWJY-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247566540 455626438 /nfs/dbraw/zinc/62/64/38/455626438.db2.gz RHLRTKVEVFBWJY-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247566540 455626439 /nfs/dbraw/zinc/62/64/39/455626439.db2.gz RHLRTKVEVFBWJY-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000247566540 455626440 /nfs/dbraw/zinc/62/64/40/455626440.db2.gz RHLRTKVEVFBWJY-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000247696479 455639183 /nfs/dbraw/zinc/63/91/83/455639183.db2.gz WSVNYTAITKRHCQ-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000247696479 455639188 /nfs/dbraw/zinc/63/91/88/455639188.db2.gz WSVNYTAITKRHCQ-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247777642 455645006 /nfs/dbraw/zinc/64/50/06/455645006.db2.gz XAYIDIIBRYBZPT-BXWFABGCSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247777642 455645008 /nfs/dbraw/zinc/64/50/08/455645008.db2.gz XAYIDIIBRYBZPT-BXWFABGCSA-N 2 2 340.471 3.356 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248126607 455684196 /nfs/dbraw/zinc/68/41/96/455684196.db2.gz NYSGKNFAKJMURS-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248126607 455684199 /nfs/dbraw/zinc/68/41/99/455684199.db2.gz NYSGKNFAKJMURS-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248126607 455684203 /nfs/dbraw/zinc/68/42/03/455684203.db2.gz NYSGKNFAKJMURS-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248126607 455684207 /nfs/dbraw/zinc/68/42/07/455684207.db2.gz NYSGKNFAKJMURS-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cn1c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2[nH+]c1C1CC1 ZINC000192788974 455693399 /nfs/dbraw/zinc/69/33/99/455693399.db2.gz NAFGYJAQPCZTKE-UHFFFAOYSA-N 2 2 338.455 3.264 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCCO1 ZINC000277939340 455715125 /nfs/dbraw/zinc/71/51/25/455715125.db2.gz QYMFZBAVMHOTFN-ZDUSSCGKSA-N 2 2 348.384 3.435 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCCO1 ZINC000277939340 455715131 /nfs/dbraw/zinc/71/51/31/455715131.db2.gz QYMFZBAVMHOTFN-ZDUSSCGKSA-N 2 2 348.384 3.435 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887949 455719944 /nfs/dbraw/zinc/71/99/44/455719944.db2.gz IWPSSQDTSOOJMZ-PKOBYXMFSA-N 2 2 339.483 3.375 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887949 455719948 /nfs/dbraw/zinc/71/99/48/455719948.db2.gz IWPSSQDTSOOJMZ-PKOBYXMFSA-N 2 2 339.483 3.375 20 0 EGADLP COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000268899379 455722917 /nfs/dbraw/zinc/72/29/17/455722917.db2.gz KUMOQZGLIFOIRB-FOIQADDNSA-N 2 2 337.423 3.265 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)C2)C1 ZINC000292774777 455754061 /nfs/dbraw/zinc/75/40/61/455754061.db2.gz KUQZXFDJKWJGLU-INIZCTEOSA-N 2 2 330.806 3.469 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780769 455755371 /nfs/dbraw/zinc/75/53/71/455755371.db2.gz ZBDLJVIVJUZFLE-UKRRQHHQSA-N 2 2 343.427 3.265 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780769 455755376 /nfs/dbraw/zinc/75/53/76/455755376.db2.gz ZBDLJVIVJUZFLE-UKRRQHHQSA-N 2 2 343.427 3.265 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000249487986 455758413 /nfs/dbraw/zinc/75/84/13/455758413.db2.gz URISGUPAKDVOJI-RUYXUALKSA-N 3 2 326.488 3.019 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000249487986 455758418 /nfs/dbraw/zinc/75/84/18/455758418.db2.gz URISGUPAKDVOJI-RUYXUALKSA-N 3 2 326.488 3.019 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1Cl ZINC000285511208 455860104 /nfs/dbraw/zinc/86/01/04/455860104.db2.gz NMWMFTJSPOQRNZ-JZWPEALZSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1Cl ZINC000285511208 455860109 /nfs/dbraw/zinc/86/01/09/455860109.db2.gz NMWMFTJSPOQRNZ-JZWPEALZSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC000285511208 455860115 /nfs/dbraw/zinc/86/01/15/455860115.db2.gz NMWMFTJSPOQRNZ-JZWPEALZSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000285511208 455860116 /nfs/dbraw/zinc/86/01/16/455860116.db2.gz NMWMFTJSPOQRNZ-JZWPEALZSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)Cn1cc[nH+]c1 ZINC000272175076 455867423 /nfs/dbraw/zinc/86/74/23/455867423.db2.gz RDOSHZRYDZOHGZ-HNNXBMFYSA-N 2 2 329.444 3.264 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cn1 ZINC000272210091 455877716 /nfs/dbraw/zinc/87/77/16/455877716.db2.gz KKIOJGOJPICCOK-AWEZNQCLSA-N 2 2 343.450 3.319 20 0 EGADLP Fc1cncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285655177 455889993 /nfs/dbraw/zinc/88/99/93/455889993.db2.gz SQNHCVDKKXUIAO-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285655177 455889997 /nfs/dbraw/zinc/88/99/97/455889997.db2.gz SQNHCVDKKXUIAO-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285655177 455890003 /nfs/dbraw/zinc/89/00/03/455890003.db2.gz SQNHCVDKKXUIAO-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285655177 455890007 /nfs/dbraw/zinc/89/00/07/455890007.db2.gz SQNHCVDKKXUIAO-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000261603371 455910942 /nfs/dbraw/zinc/91/09/42/455910942.db2.gz CCFAEFUJNSAFDS-IBGZPJMESA-N 2 2 325.456 3.028 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000261603371 455910949 /nfs/dbraw/zinc/91/09/49/455910949.db2.gz CCFAEFUJNSAFDS-IBGZPJMESA-N 2 2 325.456 3.028 20 0 EGADLP CCCC[C@@H](COC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272342661 455919572 /nfs/dbraw/zinc/91/95/72/455919572.db2.gz ZUCHEKDBXCOYFU-INIZCTEOSA-N 2 2 334.508 3.229 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261667505 455923606 /nfs/dbraw/zinc/92/36/06/455923606.db2.gz LIJLHIPJESZTJS-OKZBNKHCSA-N 3 2 326.488 3.245 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261671730 455924517 /nfs/dbraw/zinc/92/45/17/455924517.db2.gz JCDCTNQKOAZZFY-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261671730 455924523 /nfs/dbraw/zinc/92/45/23/455924523.db2.gz JCDCTNQKOAZZFY-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP CCCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261695886 455929775 /nfs/dbraw/zinc/92/97/75/455929775.db2.gz LCWSQTXXAWXSSB-RBUKOAKNSA-N 2 2 340.467 3.411 20 0 EGADLP CCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000261695886 455929780 /nfs/dbraw/zinc/92/97/80/455929780.db2.gz LCWSQTXXAWXSSB-RBUKOAKNSA-N 2 2 340.467 3.411 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745238 455939220 /nfs/dbraw/zinc/93/92/20/455939220.db2.gz PQFJCGRRRIMIBW-HRAATJIYSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745238 455939226 /nfs/dbraw/zinc/93/92/26/455939226.db2.gz PQFJCGRRRIMIBW-HRAATJIYSA-N 2 2 337.467 3.351 20 0 EGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1F ZINC000296488695 455952960 /nfs/dbraw/zinc/95/29/60/455952960.db2.gz OPCGDVQFOAUTOS-XQERAMJGSA-N 2 2 326.843 3.381 20 0 EGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1F ZINC000296488695 455952964 /nfs/dbraw/zinc/95/29/64/455952964.db2.gz OPCGDVQFOAUTOS-XQERAMJGSA-N 2 2 326.843 3.381 20 0 EGADLP Oc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272499982 455971640 /nfs/dbraw/zinc/97/16/40/455971640.db2.gz DOAXFLKAWIZERC-OAHLLOKOSA-N 2 2 328.378 3.386 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000270521888 455974314 /nfs/dbraw/zinc/97/43/14/455974314.db2.gz RVTJDWYYKBNAKO-AQNXPRMDSA-N 2 2 337.467 3.369 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000270521889 455974794 /nfs/dbraw/zinc/97/47/94/455974794.db2.gz RVTJDWYYKBNAKO-VAMGGRTRSA-N 2 2 337.467 3.369 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+](C)C ZINC000270549790 455981414 /nfs/dbraw/zinc/98/14/14/455981414.db2.gz YRUAQEHKMAXMBP-IBGZPJMESA-N 2 2 338.455 3.127 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000262030988 455987058 /nfs/dbraw/zinc/98/70/58/455987058.db2.gz OCIDICVNYGXPKK-KBXCAEBGSA-N 2 2 326.440 3.150 20 0 EGADLP COc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000262030988 455987068 /nfs/dbraw/zinc/98/70/68/455987068.db2.gz OCIDICVNYGXPKK-KBXCAEBGSA-N 2 2 326.440 3.150 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262039695 455988405 /nfs/dbraw/zinc/98/84/05/455988405.db2.gz PAMKJYNYJWLEEO-PBHICJAKSA-N 2 2 338.480 3.380 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@@H]1[NH3+] ZINC000262039695 455988407 /nfs/dbraw/zinc/98/84/07/455988407.db2.gz PAMKJYNYJWLEEO-PBHICJAKSA-N 2 2 338.480 3.380 20 0 EGADLP CCc1noc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280613762 456013398 /nfs/dbraw/zinc/01/33/98/456013398.db2.gz XVOCZNWOUAHZOI-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP CCc1noc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280613762 456013402 /nfs/dbraw/zinc/01/34/02/456013402.db2.gz XVOCZNWOUAHZOI-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP CCc1noc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280613762 456013403 /nfs/dbraw/zinc/01/34/03/456013403.db2.gz XVOCZNWOUAHZOI-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP CCc1noc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280613762 456013404 /nfs/dbraw/zinc/01/34/04/456013404.db2.gz XVOCZNWOUAHZOI-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP COc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272633597 456021010 /nfs/dbraw/zinc/02/10/10/456021010.db2.gz AUUHEAKSLFHFCQ-UHFFFAOYSA-N 2 2 330.394 3.244 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262358455 456028580 /nfs/dbraw/zinc/02/85/80/456028580.db2.gz VFVROQKKLFYRBI-BDQJQXKSSA-N 2 2 338.455 3.179 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000286385744 456037651 /nfs/dbraw/zinc/03/76/51/456037651.db2.gz OSGGSGHNXZTNET-KBPBESRZSA-N 2 2 331.847 3.188 20 0 EGADLP CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000188351181 456048255 /nfs/dbraw/zinc/04/82/55/456048255.db2.gz KRBLRJFFPKHNAW-UHFFFAOYSA-N 2 2 349.438 3.361 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997600 456105016 /nfs/dbraw/zinc/10/50/16/456105016.db2.gz KLSCFFJIWPQSHZ-MOPGFXCFSA-N 2 2 339.487 3.281 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997600 456105018 /nfs/dbraw/zinc/10/50/18/456105018.db2.gz KLSCFFJIWPQSHZ-MOPGFXCFSA-N 2 2 339.487 3.281 20 0 EGADLP Cc1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000301445043 456118004 /nfs/dbraw/zinc/11/80/04/456118004.db2.gz JRNRTMIYJRRTOA-UHFFFAOYSA-N 2 2 325.460 3.240 20 0 EGADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cscn2)CC1 ZINC000271118617 456132116 /nfs/dbraw/zinc/13/21/16/456132116.db2.gz IUHHTQJEGQCMJB-MRXNPFEDSA-N 2 2 344.528 3.131 20 0 EGADLP Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c2ccccc2[nH+]1 ZINC000301590573 456154366 /nfs/dbraw/zinc/15/43/66/456154366.db2.gz QKCZNFBWVNDDKN-AWEZNQCLSA-N 2 2 326.469 3.157 20 0 EGADLP COc1cccc2c(N3CC[NH+](CCOC(C)C)CC3)cc(C)[nH+]c12 ZINC000301666766 456179010 /nfs/dbraw/zinc/17/90/10/456179010.db2.gz LYHVIXQTCYXNRO-UHFFFAOYSA-N 2 2 343.471 3.099 20 0 EGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ncccc3N(C)C)CC2)C1 ZINC000289922854 456182591 /nfs/dbraw/zinc/18/25/91/456182591.db2.gz VBBJCPXTCDTDRZ-WMZOPIPTSA-N 2 2 330.520 3.280 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000236912200 456200745 /nfs/dbraw/zinc/20/07/45/456200745.db2.gz HVACUMQDDNKBKD-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000236912200 456200753 /nfs/dbraw/zinc/20/07/53/456200753.db2.gz HVACUMQDDNKBKD-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000271275276 456201310 /nfs/dbraw/zinc/20/13/10/456201310.db2.gz PEWOSKXCKGJWRV-UHFFFAOYSA-N 2 2 329.444 3.324 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1O ZINC000289991431 456208445 /nfs/dbraw/zinc/20/84/45/456208445.db2.gz YKIQCQIWBIFIFC-CYBMUJFWSA-N 2 2 338.411 3.141 20 0 EGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000236996082 456216727 /nfs/dbraw/zinc/21/67/27/456216727.db2.gz HGSQXCMKDUPKIQ-ACJLOTCBSA-N 2 2 326.444 3.198 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301850100 456232222 /nfs/dbraw/zinc/23/22/22/456232222.db2.gz ATSFJADOFPILTO-GASCZTMLSA-N 2 2 327.476 3.382 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301850100 456232225 /nfs/dbraw/zinc/23/22/25/456232225.db2.gz ATSFJADOFPILTO-GASCZTMLSA-N 2 2 327.476 3.382 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000290090335 456237342 /nfs/dbraw/zinc/23/73/42/456237342.db2.gz RFPZJCUKBGIDGP-GOSISDBHSA-N 2 2 341.480 3.260 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000290090335 456237348 /nfs/dbraw/zinc/23/73/48/456237348.db2.gz RFPZJCUKBGIDGP-GOSISDBHSA-N 2 2 341.480 3.260 20 0 EGADLP c1ccc(OCC[NH2+]C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301875831 456239308 /nfs/dbraw/zinc/23/93/08/456239308.db2.gz KDPYUDRWJGANOU-UHFFFAOYSA-N 2 2 336.439 3.200 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000302063196 456277640 /nfs/dbraw/zinc/27/76/40/456277640.db2.gz USNWVNTZTRQNKM-MAUKXSAKSA-N 2 2 346.519 3.213 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000302063196 456277644 /nfs/dbraw/zinc/27/76/44/456277644.db2.gz USNWVNTZTRQNKM-MAUKXSAKSA-N 2 2 346.519 3.213 20 0 EGADLP C[NH+](C)CCc1ccccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000275658154 456279154 /nfs/dbraw/zinc/27/91/54/456279154.db2.gz VDDMQLAJMUZFOD-UHFFFAOYSA-N 2 2 326.366 3.162 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792923 456296079 /nfs/dbraw/zinc/29/60/79/456296079.db2.gz NGYBNIKMCVBTER-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792923 456296083 /nfs/dbraw/zinc/29/60/83/456296083.db2.gz NGYBNIKMCVBTER-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792923 456296087 /nfs/dbraw/zinc/29/60/87/456296087.db2.gz NGYBNIKMCVBTER-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000297792923 456296093 /nfs/dbraw/zinc/29/60/93/456296093.db2.gz NGYBNIKMCVBTER-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP COC(=O)CC1(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000281740201 456307267 /nfs/dbraw/zinc/30/72/67/456307267.db2.gz WWTHGJDMJNPSBW-MRXNPFEDSA-N 2 2 341.455 3.152 20 0 EGADLP COC(=O)CC1(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000281740201 456307271 /nfs/dbraw/zinc/30/72/71/456307271.db2.gz WWTHGJDMJNPSBW-MRXNPFEDSA-N 2 2 341.455 3.152 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790961 456308078 /nfs/dbraw/zinc/30/80/78/456308078.db2.gz MLISEUPXSJVSHF-QFBILLFUSA-N 2 2 338.451 3.210 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cccc3c2OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790961 456308082 /nfs/dbraw/zinc/30/80/82/456308082.db2.gz MLISEUPXSJVSHF-QFBILLFUSA-N 2 2 338.451 3.210 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccccc2)n1 ZINC000342927746 456319953 /nfs/dbraw/zinc/31/99/53/456319953.db2.gz OWLVATGAGKJVCU-IBGZPJMESA-N 2 2 334.423 3.135 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccccc2)n1 ZINC000342927746 456319960 /nfs/dbraw/zinc/31/99/60/456319960.db2.gz OWLVATGAGKJVCU-IBGZPJMESA-N 2 2 334.423 3.135 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000290444104 456329379 /nfs/dbraw/zinc/32/93/79/456329379.db2.gz SJHLGWSAEIBLQH-QGZVFWFLSA-N 2 2 331.847 3.182 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824812 456339175 /nfs/dbraw/zinc/33/91/75/456339175.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824812 456339183 /nfs/dbraw/zinc/33/91/83/456339183.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824812 456339190 /nfs/dbraw/zinc/33/91/90/456339190.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824812 456339195 /nfs/dbraw/zinc/33/91/95/456339195.db2.gz NGOBKBJSLYUARB-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)c2cccnc2)s1 ZINC000352830723 456345830 /nfs/dbraw/zinc/34/58/30/456345830.db2.gz VAFMDEYAFYXKHA-LJQANCHMSA-N 2 2 338.480 3.479 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000340268918 456351963 /nfs/dbraw/zinc/35/19/63/456351963.db2.gz WHFXXJQVYCBJHD-CEWLAPEOSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1c1ccccc1 ZINC000340268918 456351965 /nfs/dbraw/zinc/35/19/65/456351965.db2.gz WHFXXJQVYCBJHD-CEWLAPEOSA-N 2 2 349.478 3.217 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340275523 456356039 /nfs/dbraw/zinc/35/60/39/456356039.db2.gz SVPVMRBKYHSUIA-OXQOHEQNSA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340275523 456356045 /nfs/dbraw/zinc/35/60/45/456356045.db2.gz SVPVMRBKYHSUIA-OXQOHEQNSA-N 2 2 326.488 3.125 20 0 EGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Br)c1 ZINC000290581975 456372121 /nfs/dbraw/zinc/37/21/21/456372121.db2.gz UQZURXPHKIGNNW-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Br)c1 ZINC000290581975 456372127 /nfs/dbraw/zinc/37/21/27/456372127.db2.gz UQZURXPHKIGNNW-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581975 456372131 /nfs/dbraw/zinc/37/21/31/456372131.db2.gz UQZURXPHKIGNNW-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000337555370 456378227 /nfs/dbraw/zinc/37/82/27/456378227.db2.gz QWZRWCFXMADLQP-IAGOWNOFSA-N 2 2 339.430 3.186 20 0 EGADLP c1cc(CNc2cc(N3CCCC3)nc[nH+]2)cc(C[NH+]2CCCC2)c1 ZINC000302803116 456405666 /nfs/dbraw/zinc/40/56/66/456405666.db2.gz VDXDQJSHEBKFMU-UHFFFAOYSA-N 2 2 337.471 3.285 20 0 EGADLP c1cc(CNc2cc(N3CCCC3)[nH+]cn2)cc(C[NH+]2CCCC2)c1 ZINC000302803116 456405672 /nfs/dbraw/zinc/40/56/72/456405672.db2.gz VDXDQJSHEBKFMU-UHFFFAOYSA-N 2 2 337.471 3.285 20 0 EGADLP [NH3+]CC[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000282080308 456408166 /nfs/dbraw/zinc/40/81/66/456408166.db2.gz XQTVMRFXDBFMEC-HNNXBMFYSA-N 2 2 325.412 3.075 20 0 EGADLP Cc1ccc([C@H](CNc2nc[nH+]c(N)c2Cl)[NH+]2CCCC2)cc1 ZINC000302870408 456421734 /nfs/dbraw/zinc/42/17/34/456421734.db2.gz BFHDZKAHVSFTFO-AWEZNQCLSA-N 2 2 331.851 3.270 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(-n2ccnn2)c1 ZINC000348106275 456485170 /nfs/dbraw/zinc/48/51/70/456485170.db2.gz SVTHPTUUXQCPIU-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP CC[N@@H+](Cc1ccoc1)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000303376552 456458879 /nfs/dbraw/zinc/45/88/79/456458879.db2.gz OQFVZIFDQZJYFG-KRWDZBQOSA-N 2 2 327.428 3.129 20 0 EGADLP CC[N@H+](Cc1ccoc1)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000303376552 456458885 /nfs/dbraw/zinc/45/88/85/456458885.db2.gz OQFVZIFDQZJYFG-KRWDZBQOSA-N 2 2 327.428 3.129 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1 ZINC000282267387 456461902 /nfs/dbraw/zinc/46/19/02/456461902.db2.gz KICMVVUTMSMTCL-PBHICJAKSA-N 2 2 326.444 3.101 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337670959 456472625 /nfs/dbraw/zinc/47/26/25/456472625.db2.gz PQIOPSWUWFDEAK-NHCUHLMSSA-N 2 2 340.467 3.029 20 0 EGADLP COCCCOc1cccc(C[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337670959 456472629 /nfs/dbraw/zinc/47/26/29/456472629.db2.gz PQIOPSWUWFDEAK-NHCUHLMSSA-N 2 2 340.467 3.029 20 0 EGADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000340464802 456475670 /nfs/dbraw/zinc/47/56/70/456475670.db2.gz KUNKJRWCUIWONJ-FQEVSTJZSA-N 2 2 326.488 3.199 20 0 EGADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000340464802 456475674 /nfs/dbraw/zinc/47/56/74/456475674.db2.gz KUNKJRWCUIWONJ-FQEVSTJZSA-N 2 2 326.488 3.199 20 0 EGADLP CC(C)[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1[nH]cc[nH+]1 ZINC000276656899 456543481 /nfs/dbraw/zinc/54/34/81/456543481.db2.gz SPSRYEIWUZHRPU-SFHVURJKSA-N 2 2 340.471 3.135 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000343364285 456561512 /nfs/dbraw/zinc/56/15/12/456561512.db2.gz PZKWEAOXABTTBA-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000343364285 456561522 /nfs/dbraw/zinc/56/15/22/456561522.db2.gz PZKWEAOXABTTBA-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000276773003 456574972 /nfs/dbraw/zinc/57/49/72/456574972.db2.gz YLWJIASZDWAQJM-FVNWOWOISA-N 2 2 346.862 3.276 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261846 456579018 /nfs/dbraw/zinc/57/90/18/456579018.db2.gz HAHNNOBXJDHNRN-WOJBJXKFSA-N 2 2 337.467 3.440 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261846 456579020 /nfs/dbraw/zinc/57/90/20/456579020.db2.gz HAHNNOBXJDHNRN-WOJBJXKFSA-N 2 2 337.467 3.440 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000310272643 456580929 /nfs/dbraw/zinc/58/09/29/456580929.db2.gz IVKIMEWGUJUCQW-MRXNPFEDSA-N 2 2 326.440 3.083 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000310272643 456580934 /nfs/dbraw/zinc/58/09/34/456580934.db2.gz IVKIMEWGUJUCQW-MRXNPFEDSA-N 2 2 326.440 3.083 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310820343 456583345 /nfs/dbraw/zinc/58/33/45/456583345.db2.gz DISKXCQZJOTCPJ-NEWSRXKRSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310820343 456583346 /nfs/dbraw/zinc/58/33/46/456583346.db2.gz DISKXCQZJOTCPJ-NEWSRXKRSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310820343 456583351 /nfs/dbraw/zinc/58/33/51/456583351.db2.gz DISKXCQZJOTCPJ-NEWSRXKRSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310820343 456583354 /nfs/dbraw/zinc/58/33/54/456583354.db2.gz DISKXCQZJOTCPJ-NEWSRXKRSA-N 2 2 344.499 3.171 20 0 EGADLP CC(C)n1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000311161893 456588541 /nfs/dbraw/zinc/58/85/41/456588541.db2.gz PSGIBRMWJDYOBC-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000311161893 456588547 /nfs/dbraw/zinc/58/85/47/456588547.db2.gz PSGIBRMWJDYOBC-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000311161893 456588553 /nfs/dbraw/zinc/58/85/53/456588553.db2.gz PSGIBRMWJDYOBC-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000311161893 456588559 /nfs/dbraw/zinc/58/85/59/456588559.db2.gz PSGIBRMWJDYOBC-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000348325354 456624689 /nfs/dbraw/zinc/62/46/89/456624689.db2.gz HDUJEWAEIYRWHT-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(F)ncc2F)CC1 ZINC000291377776 456624924 /nfs/dbraw/zinc/62/49/24/456624924.db2.gz ANPYPISJCUPTJF-ZDUSSCGKSA-N 2 2 332.398 3.070 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000348325355 456624993 /nfs/dbraw/zinc/62/49/93/456624993.db2.gz HDUJEWAEIYRWHT-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337416 456632951 /nfs/dbraw/zinc/63/29/51/456632951.db2.gz FOYNOVXYEUNZPA-AZUAARDMSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337416 456632956 /nfs/dbraw/zinc/63/29/56/456632956.db2.gz FOYNOVXYEUNZPA-AZUAARDMSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337416 456632960 /nfs/dbraw/zinc/63/29/60/456632960.db2.gz FOYNOVXYEUNZPA-AZUAARDMSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337416 456632967 /nfs/dbraw/zinc/63/29/67/456632967.db2.gz FOYNOVXYEUNZPA-AZUAARDMSA-N 2 2 345.531 3.260 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000353392458 456670397 /nfs/dbraw/zinc/67/03/97/456670397.db2.gz ZNXVZTDOWGUGGT-RVKKMQEKSA-N 2 2 340.895 3.116 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000353392458 456670409 /nfs/dbraw/zinc/67/04/09/456670409.db2.gz ZNXVZTDOWGUGGT-RVKKMQEKSA-N 2 2 340.895 3.116 20 0 EGADLP CC(C)[NH+](CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000340842093 456712906 /nfs/dbraw/zinc/71/29/06/456712906.db2.gz USRQYMXYHIQMKU-SFHVURJKSA-N 2 2 342.487 3.167 20 0 EGADLP Cc1ccc(C(C)C)c2c1[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCO2 ZINC000338230876 456721242 /nfs/dbraw/zinc/72/12/42/456721242.db2.gz PWXLSVZUSRPWJT-APWZRJJASA-N 2 2 346.515 3.500 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000353546663 456750495 /nfs/dbraw/zinc/75/04/95/456750495.db2.gz GNKADFHENJFHRP-UHFFFAOYSA-N 2 2 325.243 3.049 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000299669025 456759224 /nfs/dbraw/zinc/75/92/24/456759224.db2.gz OUJOQBMPKRALRW-INIZCTEOSA-N 2 2 326.444 3.286 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000299669025 456759232 /nfs/dbraw/zinc/75/92/32/456759232.db2.gz OUJOQBMPKRALRW-INIZCTEOSA-N 2 2 326.444 3.286 20 0 EGADLP C[N@H+](C[C@@H]1CCCC(F)(F)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000338305075 456762270 /nfs/dbraw/zinc/76/22/70/456762270.db2.gz KHZFPJXHHDRTJE-MRXNPFEDSA-N 2 2 340.462 3.105 20 0 EGADLP C[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000338305075 456762278 /nfs/dbraw/zinc/76/22/78/456762278.db2.gz KHZFPJXHHDRTJE-MRXNPFEDSA-N 2 2 340.462 3.105 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000338306971 456762708 /nfs/dbraw/zinc/76/27/08/456762708.db2.gz OZGBFKQHJNNHRN-IBGZPJMESA-N 2 2 332.467 3.312 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000338306971 456762717 /nfs/dbraw/zinc/76/27/17/456762717.db2.gz OZGBFKQHJNNHRN-IBGZPJMESA-N 2 2 332.467 3.312 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343660901 456763979 /nfs/dbraw/zinc/76/39/79/456763979.db2.gz AFWSGKKISFFGQI-BEFAXECRSA-N 2 2 327.472 3.246 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000343660904 456764493 /nfs/dbraw/zinc/76/44/93/456764493.db2.gz AFWSGKKISFFGQI-KXBFYZLASA-N 2 2 327.472 3.246 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745049 456771185 /nfs/dbraw/zinc/77/11/85/456771185.db2.gz WDDOVLLUOSPYIS-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745049 456771191 /nfs/dbraw/zinc/77/11/91/456771191.db2.gz WDDOVLLUOSPYIS-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745049 456771198 /nfs/dbraw/zinc/77/11/98/456771198.db2.gz WDDOVLLUOSPYIS-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745049 456771203 /nfs/dbraw/zinc/77/12/03/456771203.db2.gz WDDOVLLUOSPYIS-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000340977797 456795297 /nfs/dbraw/zinc/79/52/97/456795297.db2.gz CJZKYHYKABYPAC-UHFFFAOYSA-N 2 2 349.434 3.448 20 0 EGADLP COc1ccc2c(c1OC)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000340977797 456795304 /nfs/dbraw/zinc/79/53/04/456795304.db2.gz CJZKYHYKABYPAC-UHFFFAOYSA-N 2 2 349.434 3.448 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000344469334 456830496 /nfs/dbraw/zinc/83/04/96/456830496.db2.gz BKDOSNVGOQGTDN-OPYAIIAOSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000344469334 456830504 /nfs/dbraw/zinc/83/05/04/456830504.db2.gz BKDOSNVGOQGTDN-OPYAIIAOSA-N 3 2 340.515 3.328 20 0 EGADLP Nc1[nH+]cnc(NCC2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000277492258 456844029 /nfs/dbraw/zinc/84/40/29/456844029.db2.gz QPNRVUFBLIBPGH-UHFFFAOYSA-N 2 2 337.880 3.098 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119532 456860175 /nfs/dbraw/zinc/86/01/75/456860175.db2.gz KBAQYIZDYOXSBU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119532 456860180 /nfs/dbraw/zinc/86/01/80/456860180.db2.gz KBAQYIZDYOXSBU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119532 456860184 /nfs/dbraw/zinc/86/01/84/456860184.db2.gz KBAQYIZDYOXSBU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000292119532 456860189 /nfs/dbraw/zinc/86/01/89/456860189.db2.gz KBAQYIZDYOXSBU-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751838 456889605 /nfs/dbraw/zinc/88/96/05/456889605.db2.gz KNDMXBZOGWMISN-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751838 456889612 /nfs/dbraw/zinc/88/96/12/456889612.db2.gz KNDMXBZOGWMISN-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751838 456889616 /nfs/dbraw/zinc/88/96/16/456889616.db2.gz KNDMXBZOGWMISN-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cn2)C[C@@H]1C ZINC000353751838 456889620 /nfs/dbraw/zinc/88/96/20/456889620.db2.gz KNDMXBZOGWMISN-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP c1cnc2sc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671375 456893120 /nfs/dbraw/zinc/89/31/20/456893120.db2.gz FGPCRYIUHNHLSN-CZUORRHYSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671375 456893125 /nfs/dbraw/zinc/89/31/25/456893125.db2.gz FGPCRYIUHNHLSN-CZUORRHYSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000341671375 456893129 /nfs/dbraw/zinc/89/31/29/456893129.db2.gz FGPCRYIUHNHLSN-CZUORRHYSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000341671375 456893135 /nfs/dbraw/zinc/89/31/35/456893135.db2.gz FGPCRYIUHNHLSN-CZUORRHYSA-N 2 2 328.485 3.140 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000353782843 456904816 /nfs/dbraw/zinc/90/48/16/456904816.db2.gz VQACIUYACDGHTA-UHFFFAOYSA-N 2 2 348.462 3.079 20 0 EGADLP Cn1nnc2cc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)ccc21 ZINC000349290489 456932828 /nfs/dbraw/zinc/93/28/28/456932828.db2.gz XVOODVKKROXVQQ-UHFFFAOYSA-N 2 2 349.482 3.065 20 0 EGADLP Cn1nnc2cc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)ccc21 ZINC000349290489 456932829 /nfs/dbraw/zinc/93/28/29/456932829.db2.gz XVOODVKKROXVQQ-UHFFFAOYSA-N 2 2 349.482 3.065 20 0 EGADLP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000349331326 456945086 /nfs/dbraw/zinc/94/50/86/456945086.db2.gz LIAMJZNWOSMLSW-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000349331326 456945089 /nfs/dbraw/zinc/94/50/89/456945089.db2.gz LIAMJZNWOSMLSW-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000349331326 456945094 /nfs/dbraw/zinc/94/50/94/456945094.db2.gz LIAMJZNWOSMLSW-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000349331326 456945096 /nfs/dbraw/zinc/94/50/96/456945096.db2.gz LIAMJZNWOSMLSW-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)CC2=CCCOC2)c1 ZINC000349341657 456947348 /nfs/dbraw/zinc/94/73/48/456947348.db2.gz BYDLMWKVIOPTHC-UHFFFAOYSA-N 2 2 331.847 3.385 20 0 EGADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)CC2=CCCOC2)c1 ZINC000349341657 456947351 /nfs/dbraw/zinc/94/73/51/456947351.db2.gz BYDLMWKVIOPTHC-UHFFFAOYSA-N 2 2 331.847 3.385 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2cccnc2OCC(F)(F)F)c[nH+]1 ZINC000353912660 456963321 /nfs/dbraw/zinc/96/33/21/456963321.db2.gz INRMXQROOSXDNI-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000353944074 456975340 /nfs/dbraw/zinc/97/53/40/456975340.db2.gz JKOZQRMUOBIEOI-UHFFFAOYSA-N 2 2 349.413 3.459 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339173657 456976454 /nfs/dbraw/zinc/97/64/54/456976454.db2.gz RSFGFPDWIATZKL-HNNXBMFYSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339173657 456976456 /nfs/dbraw/zinc/97/64/56/456976456.db2.gz RSFGFPDWIATZKL-HNNXBMFYSA-N 2 2 335.249 3.186 20 0 EGADLP COc1ccc(F)c(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000339181497 456980583 /nfs/dbraw/zinc/98/05/83/456980583.db2.gz OESBISUPVSKTCO-UHFFFAOYSA-N 2 2 339.414 3.411 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc2n[nH]cc2c1 ZINC000353999235 456997891 /nfs/dbraw/zinc/99/78/91/456997891.db2.gz ZMARBHLEXBJXDR-HNNXBMFYSA-N 2 2 335.455 3.273 20 0 EGADLP COC1CCC(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000349720358 457024899 /nfs/dbraw/zinc/02/48/99/457024899.db2.gz KWRSDWZDFXDUDN-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046620 457031643 /nfs/dbraw/zinc/03/16/43/457031643.db2.gz DXRUWYLIXLWJKM-PMACEKPBSA-N 2 2 349.563 3.221 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046620 457031649 /nfs/dbraw/zinc/03/16/49/457031649.db2.gz DXRUWYLIXLWJKM-PMACEKPBSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000354077841 457046717 /nfs/dbraw/zinc/04/67/17/457046717.db2.gz JHVLXAPREIPUNG-MRXNPFEDSA-N 2 2 325.522 3.199 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000354077841 457046723 /nfs/dbraw/zinc/04/67/23/457046723.db2.gz JHVLXAPREIPUNG-MRXNPFEDSA-N 2 2 325.522 3.199 20 0 EGADLP CCOc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1O ZINC000359088806 457052341 /nfs/dbraw/zinc/05/23/41/457052341.db2.gz AXEUVBFPBLAZST-UHFFFAOYSA-N 2 2 337.423 3.326 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000339320038 457053875 /nfs/dbraw/zinc/05/38/75/457053875.db2.gz HKWWAWCSLLZSQE-AWEZNQCLSA-N 2 2 327.563 3.464 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356577476 457064808 /nfs/dbraw/zinc/06/48/08/457064808.db2.gz NGNDZKNENWXINZ-AABGKKOBSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356577476 457064816 /nfs/dbraw/zinc/06/48/16/457064816.db2.gz NGNDZKNENWXINZ-AABGKKOBSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356577476 457064823 /nfs/dbraw/zinc/06/48/23/457064823.db2.gz NGNDZKNENWXINZ-AABGKKOBSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356577476 457064830 /nfs/dbraw/zinc/06/48/30/457064830.db2.gz NGNDZKNENWXINZ-AABGKKOBSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578329 457065322 /nfs/dbraw/zinc/06/53/22/457065322.db2.gz OOSXBCZLHAGCEA-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578329 457065328 /nfs/dbraw/zinc/06/53/28/457065328.db2.gz OOSXBCZLHAGCEA-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356578329 457065333 /nfs/dbraw/zinc/06/53/33/457065333.db2.gz OOSXBCZLHAGCEA-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356578329 457065340 /nfs/dbraw/zinc/06/53/40/457065340.db2.gz OOSXBCZLHAGCEA-HSALFYBXSA-N 2 2 349.563 3.364 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579834 457065741 /nfs/dbraw/zinc/06/57/41/457065741.db2.gz QSRAWBBKHAWNCH-MOPGFXCFSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579834 457065744 /nfs/dbraw/zinc/06/57/44/457065744.db2.gz QSRAWBBKHAWNCH-MOPGFXCFSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579834 457065748 /nfs/dbraw/zinc/06/57/48/457065748.db2.gz QSRAWBBKHAWNCH-MOPGFXCFSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579834 457065750 /nfs/dbraw/zinc/06/57/50/457065750.db2.gz QSRAWBBKHAWNCH-MOPGFXCFSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000349820656 457066959 /nfs/dbraw/zinc/06/69/59/457066959.db2.gz XTEFBUJUCVFUMI-UHFFFAOYSA-N 2 2 330.451 3.316 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000349820656 457066962 /nfs/dbraw/zinc/06/69/62/457066962.db2.gz XTEFBUJUCVFUMI-UHFFFAOYSA-N 2 2 330.451 3.316 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045788 457077323 /nfs/dbraw/zinc/07/73/23/457077323.db2.gz UVLJJJDFRKEAOG-YOEHRIQHSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045788 457077326 /nfs/dbraw/zinc/07/73/26/457077326.db2.gz UVLJJJDFRKEAOG-YOEHRIQHSA-N 2 2 338.455 3.023 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354121532 457077834 /nfs/dbraw/zinc/07/78/34/457077834.db2.gz STPJBZQIMJVKTC-RDJZCZTQSA-N 2 2 335.517 3.302 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354121532 457077840 /nfs/dbraw/zinc/07/78/40/457077840.db2.gz STPJBZQIMJVKTC-RDJZCZTQSA-N 2 2 335.517 3.302 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000356666724 457110410 /nfs/dbraw/zinc/11/04/10/457110410.db2.gz APJMAKZDHWJIAG-YLJYHZDGSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000356666724 457110414 /nfs/dbraw/zinc/11/04/14/457110414.db2.gz APJMAKZDHWJIAG-YLJYHZDGSA-N 2 2 327.472 3.442 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433456 457116943 /nfs/dbraw/zinc/11/69/43/457116943.db2.gz KBWKEWYYPIVPBQ-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433456 457116947 /nfs/dbraw/zinc/11/69/47/457116947.db2.gz KBWKEWYYPIVPBQ-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433456 457116952 /nfs/dbraw/zinc/11/69/52/457116952.db2.gz KBWKEWYYPIVPBQ-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000339433456 457116954 /nfs/dbraw/zinc/11/69/54/457116954.db2.gz KBWKEWYYPIVPBQ-LJQANCHMSA-N 2 2 344.890 3.443 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438941 457119635 /nfs/dbraw/zinc/11/96/35/457119635.db2.gz XGHCDTRWATZJRO-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438941 457119639 /nfs/dbraw/zinc/11/96/39/457119639.db2.gz XGHCDTRWATZJRO-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438941 457119644 /nfs/dbraw/zinc/11/96/44/457119644.db2.gz XGHCDTRWATZJRO-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438941 457119646 /nfs/dbraw/zinc/11/96/46/457119646.db2.gz XGHCDTRWATZJRO-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)N(Cc3ccccc3)C1)CCC2 ZINC000346702291 457120148 /nfs/dbraw/zinc/12/01/48/457120148.db2.gz SZDHYRGYVFSZIX-YZGWKJHDSA-N 2 2 338.499 3.322 20 0 EGADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000354208410 457130988 /nfs/dbraw/zinc/13/09/88/457130988.db2.gz GTKRYMIUBCLLRC-CQSZACIVSA-N 2 2 342.936 3.387 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218317 457137930 /nfs/dbraw/zinc/13/79/30/457137930.db2.gz AXRQFLKMHRPWRU-XLIONFOSSA-N 2 2 345.531 3.377 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218317 457137935 /nfs/dbraw/zinc/13/79/35/457137935.db2.gz AXRQFLKMHRPWRU-XLIONFOSSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218317 457137939 /nfs/dbraw/zinc/13/79/39/457137939.db2.gz AXRQFLKMHRPWRU-XLIONFOSSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218317 457137943 /nfs/dbraw/zinc/13/79/43/457137943.db2.gz AXRQFLKMHRPWRU-XLIONFOSSA-N 2 2 345.531 3.377 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)nn1 ZINC000342166907 457146531 /nfs/dbraw/zinc/14/65/31/457146531.db2.gz NELCAFPVKRQTMZ-GOSISDBHSA-N 2 2 341.503 3.033 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)nn1 ZINC000342166907 457146536 /nfs/dbraw/zinc/14/65/36/457146536.db2.gz NELCAFPVKRQTMZ-GOSISDBHSA-N 2 2 341.503 3.033 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362923650 457157074 /nfs/dbraw/zinc/15/70/74/457157074.db2.gz SZJAZARNZPPCNK-UHFFFAOYSA-N 2 2 344.499 3.210 20 0 EGADLP c1cc(C[NH2+]C2CCC3(CC3)CC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000362927726 457159065 /nfs/dbraw/zinc/15/90/65/457159065.db2.gz KXPQBLMMWVUYBG-UHFFFAOYSA-N 2 2 344.499 3.210 20 0 EGADLP COc1cccc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000359963927 457175193 /nfs/dbraw/zinc/17/51/93/457175193.db2.gz OXZLHJLPUYCAAG-HXUWFJFHSA-N 2 2 339.483 3.263 20 0 EGADLP COc1cccc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)n1 ZINC000359963927 457175199 /nfs/dbraw/zinc/17/51/99/457175199.db2.gz OXZLHJLPUYCAAG-HXUWFJFHSA-N 2 2 339.483 3.263 20 0 EGADLP CCCc1nc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)o1 ZINC000339661769 457198471 /nfs/dbraw/zinc/19/84/71/457198471.db2.gz YGPPJIFQKLPZFE-SJPCQFCGSA-N 2 2 335.492 3.009 20 0 EGADLP CCCc1nc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)o1 ZINC000339661769 457198477 /nfs/dbraw/zinc/19/84/77/457198477.db2.gz YGPPJIFQKLPZFE-SJPCQFCGSA-N 2 2 335.492 3.009 20 0 EGADLP CCCc1nc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)o1 ZINC000339661769 457198484 /nfs/dbraw/zinc/19/84/84/457198484.db2.gz YGPPJIFQKLPZFE-SJPCQFCGSA-N 2 2 335.492 3.009 20 0 EGADLP CCCc1nc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)o1 ZINC000339661769 457198486 /nfs/dbraw/zinc/19/84/86/457198486.db2.gz YGPPJIFQKLPZFE-SJPCQFCGSA-N 2 2 335.492 3.009 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000356892490 457202455 /nfs/dbraw/zinc/20/24/55/457202455.db2.gz HZSPSDUEILWDKV-UHFFFAOYSA-N 2 2 328.378 3.223 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000360014240 457204223 /nfs/dbraw/zinc/20/42/23/457204223.db2.gz CKJIVKOKVNSFAK-INIZCTEOSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000360014240 457204230 /nfs/dbraw/zinc/20/42/30/457204230.db2.gz CKJIVKOKVNSFAK-INIZCTEOSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000360015274 457204750 /nfs/dbraw/zinc/20/47/50/457204750.db2.gz IEWUJMSYLFBRIO-HNNXBMFYSA-N 2 2 327.428 3.252 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000360030126 457213612 /nfs/dbraw/zinc/21/36/12/457213612.db2.gz UQFFTESDRBVMHB-MAUKXSAKSA-N 2 2 344.503 3.448 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000360030126 457213614 /nfs/dbraw/zinc/21/36/14/457213614.db2.gz UQFFTESDRBVMHB-MAUKXSAKSA-N 2 2 344.503 3.448 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342301064 457223284 /nfs/dbraw/zinc/22/32/84/457223284.db2.gz BLLZKGKAWMIJIK-PXNSSMCTSA-N 2 2 326.488 3.292 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342301064 457223294 /nfs/dbraw/zinc/22/32/94/457223294.db2.gz BLLZKGKAWMIJIK-PXNSSMCTSA-N 2 2 326.488 3.292 20 0 EGADLP CCOC[C@@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000354458149 457236522 /nfs/dbraw/zinc/23/65/22/457236522.db2.gz JDZLERZHUFIFML-QFBILLFUSA-N 2 2 346.519 3.229 20 0 EGADLP FC1(F)Oc2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2O1 ZINC000347126292 457242648 /nfs/dbraw/zinc/24/26/48/457242648.db2.gz SBLZDNWVYVJRMS-CQSZACIVSA-N 2 2 334.322 3.056 20 0 EGADLP FC1(F)Oc2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2O1 ZINC000347126292 457242652 /nfs/dbraw/zinc/24/26/52/457242652.db2.gz SBLZDNWVYVJRMS-CQSZACIVSA-N 2 2 334.322 3.056 20 0 EGADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)c1[nH+]cnc2[nH]ccc21 ZINC000347125946 457242822 /nfs/dbraw/zinc/24/28/22/457242822.db2.gz IMAHOUOVGGNGGO-UHFFFAOYSA-N 2 2 329.835 3.180 20 0 EGADLP Cc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000356978352 457255063 /nfs/dbraw/zinc/25/50/63/457255063.db2.gz JSNJSDYJJWBQGH-NVXWUHKLSA-N 2 2 332.492 3.294 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)cc2n1C ZINC000354540737 457277527 /nfs/dbraw/zinc/27/75/27/457277527.db2.gz AOTNGQWSSMAZGZ-LJQANCHMSA-N 2 2 342.487 3.122 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000360167442 457285354 /nfs/dbraw/zinc/28/53/54/457285354.db2.gz YCEIZWCNKTXXCB-DLBZAZTESA-N 2 2 341.503 3.348 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609816 457306845 /nfs/dbraw/zinc/30/68/45/457306845.db2.gz MQFYZLDMUQJIOO-PBHICJAKSA-N 2 2 326.431 3.097 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609816 457306850 /nfs/dbraw/zinc/30/68/50/457306850.db2.gz MQFYZLDMUQJIOO-PBHICJAKSA-N 2 2 326.431 3.097 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609823 457306954 /nfs/dbraw/zinc/30/69/54/457306954.db2.gz MQFYZLDMUQJIOO-WMLDXEAASA-N 2 2 326.431 3.097 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609823 457306960 /nfs/dbraw/zinc/30/69/60/457306960.db2.gz MQFYZLDMUQJIOO-WMLDXEAASA-N 2 2 326.431 3.097 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000354673322 457308619 /nfs/dbraw/zinc/30/86/19/457308619.db2.gz RZWCTEFVPYMHJZ-HNNXBMFYSA-N 2 2 339.487 3.254 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000354673322 457308623 /nfs/dbraw/zinc/30/86/23/457308623.db2.gz RZWCTEFVPYMHJZ-HNNXBMFYSA-N 2 2 339.487 3.254 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848091 457309657 /nfs/dbraw/zinc/30/96/57/457309657.db2.gz SECAQLOWMIGPTQ-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848091 457309661 /nfs/dbraw/zinc/30/96/61/457309661.db2.gz SECAQLOWMIGPTQ-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000339848091 457309667 /nfs/dbraw/zinc/30/96/67/457309667.db2.gz SECAQLOWMIGPTQ-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000339848091 457309671 /nfs/dbraw/zinc/30/96/71/457309671.db2.gz SECAQLOWMIGPTQ-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000352305965 457354143 /nfs/dbraw/zinc/35/41/43/457354143.db2.gz VGZDJBXKNLPYRF-XRXFAXGQSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000352305965 457354148 /nfs/dbraw/zinc/35/41/48/457354148.db2.gz VGZDJBXKNLPYRF-XRXFAXGQSA-N 2 2 340.511 3.371 20 0 EGADLP OC[C@@H]1C=C[C@H]([N@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330967 457356345 /nfs/dbraw/zinc/35/63/45/457356345.db2.gz HWBZFLZMJNKBKV-MSOLQXFVSA-N 2 2 334.529 3.363 20 0 EGADLP OC[C@@H]1C=C[C@H]([N@@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330967 457356346 /nfs/dbraw/zinc/35/63/46/457356346.db2.gz HWBZFLZMJNKBKV-MSOLQXFVSA-N 2 2 334.529 3.363 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000347335433 457360100 /nfs/dbraw/zinc/36/01/00/457360100.db2.gz ALZAMYXETNLMAC-GFCCVEGCSA-N 2 2 334.261 3.401 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000347335433 457360104 /nfs/dbraw/zinc/36/01/04/457360104.db2.gz ALZAMYXETNLMAC-GFCCVEGCSA-N 2 2 334.261 3.401 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378307633 457389469 /nfs/dbraw/zinc/38/94/69/457389469.db2.gz BJXOMOQSAMINKT-YLJYHZDGSA-N 2 2 338.499 3.005 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360894144 457415445 /nfs/dbraw/zinc/41/54/45/457415445.db2.gz MLUIQGCOTQTCNB-FXAWDEMLSA-N 2 2 345.531 3.403 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360894144 457415453 /nfs/dbraw/zinc/41/54/53/457415453.db2.gz MLUIQGCOTQTCNB-FXAWDEMLSA-N 2 2 345.531 3.403 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(NC(C)=O)n1 ZINC000360947169 457455110 /nfs/dbraw/zinc/45/51/10/457455110.db2.gz LYUYIMOMLFARMP-GDBMZVCRSA-N 2 2 338.521 3.092 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(COC)s1 ZINC000357362239 457473262 /nfs/dbraw/zinc/47/32/62/457473262.db2.gz ZRSGFCFAQOGPMR-ZBFHGGJFSA-N 2 2 325.522 3.280 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000395014025 457474310 /nfs/dbraw/zinc/47/43/10/457474310.db2.gz MZXDJWOKNRVDML-OLZOCXBDSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000395014025 457474312 /nfs/dbraw/zinc/47/43/12/457474312.db2.gz MZXDJWOKNRVDML-OLZOCXBDSA-N 2 2 327.241 3.305 20 0 EGADLP CCCCN(C(=O)CCn1cc[nH+]c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000347585531 457528353 /nfs/dbraw/zinc/52/83/53/457528353.db2.gz WXIFTZNQWOEPTM-UHFFFAOYSA-N 2 2 334.508 3.211 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684527 457529492 /nfs/dbraw/zinc/52/94/92/457529492.db2.gz OJWCQQNUJOZWQB-LIVBEALHSA-N 2 2 330.472 3.227 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684527 457529495 /nfs/dbraw/zinc/52/94/95/457529495.db2.gz OJWCQQNUJOZWQB-LIVBEALHSA-N 2 2 330.472 3.227 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000357447593 457533565 /nfs/dbraw/zinc/53/35/65/457533565.db2.gz XWNHMTWCGIJTMY-IBGZPJMESA-N 2 2 332.407 3.085 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000357447593 457533573 /nfs/dbraw/zinc/53/35/73/457533573.db2.gz XWNHMTWCGIJTMY-IBGZPJMESA-N 2 2 332.407 3.085 20 0 EGADLP COc1ccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000405981908 457554974 /nfs/dbraw/zinc/55/49/74/457554974.db2.gz CQKHDRLPDNBPPV-FQEVSTJZSA-N 2 2 326.440 3.155 20 0 EGADLP COc1ccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000405981908 457554981 /nfs/dbraw/zinc/55/49/81/457554981.db2.gz CQKHDRLPDNBPPV-FQEVSTJZSA-N 2 2 326.440 3.155 20 0 EGADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1cccc(F)c1 ZINC000361071543 457563301 /nfs/dbraw/zinc/56/33/01/457563301.db2.gz AXPROSIVVLMAOD-UHFFFAOYSA-N 2 2 344.434 3.153 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076776 457567295 /nfs/dbraw/zinc/56/72/95/457567295.db2.gz SCEGWHYEESVMTA-SJLPKXTDSA-N 2 2 341.503 3.347 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076776 457567301 /nfs/dbraw/zinc/56/73/01/457567301.db2.gz SCEGWHYEESVMTA-SJLPKXTDSA-N 2 2 341.503 3.347 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000352749290 457581134 /nfs/dbraw/zinc/58/11/34/457581134.db2.gz MAMGGADUZLWBAA-ZIAGYGMSSA-N 2 2 341.293 3.420 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000364429486 457600817 /nfs/dbraw/zinc/60/08/17/457600817.db2.gz PIGCSUZYDSKBIZ-QGZVFWFLSA-N 2 2 343.519 3.443 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000364429486 457600820 /nfs/dbraw/zinc/60/08/20/457600820.db2.gz PIGCSUZYDSKBIZ-QGZVFWFLSA-N 2 2 343.519 3.443 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361137614 457607772 /nfs/dbraw/zinc/60/77/72/457607772.db2.gz ZNSXZGSWHFQWDC-CZUORRHYSA-N 2 2 334.414 3.110 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361137614 457607776 /nfs/dbraw/zinc/60/77/76/457607776.db2.gz ZNSXZGSWHFQWDC-CZUORRHYSA-N 2 2 334.414 3.110 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000361216044 457649594 /nfs/dbraw/zinc/64/95/94/457649594.db2.gz LHHOPBFORXVINA-MSOLQXFVSA-N 2 2 349.906 3.037 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000361216044 457649597 /nfs/dbraw/zinc/64/95/97/457649597.db2.gz LHHOPBFORXVINA-MSOLQXFVSA-N 2 2 349.906 3.037 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000374574532 457664075 /nfs/dbraw/zinc/66/40/75/457664075.db2.gz ICIJUFQQVLBMEJ-DOTOQJQBSA-N 2 2 336.443 3.000 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000361305667 457686721 /nfs/dbraw/zinc/68/67/21/457686721.db2.gz OANBHJSIUJTROW-JFIYKMOQSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000361305667 457686723 /nfs/dbraw/zinc/68/67/23/457686723.db2.gz OANBHJSIUJTROW-JFIYKMOQSA-N 2 2 338.879 3.032 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000370643142 457689436 /nfs/dbraw/zinc/68/94/36/457689436.db2.gz IEPAARMBQWLQRR-DYESRHJHSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000370643142 457689437 /nfs/dbraw/zinc/68/94/37/457689437.db2.gz IEPAARMBQWLQRR-DYESRHJHSA-N 2 2 338.499 3.148 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+](CC)CC ZINC000361315331 457689509 /nfs/dbraw/zinc/68/95/09/457689509.db2.gz ULOLYDSREARJGW-NVXWUHKLSA-N 2 2 337.533 3.074 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671388 457697079 /nfs/dbraw/zinc/69/70/79/457697079.db2.gz QSSVAPSOEYUCAY-SFTDATJTSA-N 3 2 345.506 3.049 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671388 457697081 /nfs/dbraw/zinc/69/70/81/457697081.db2.gz QSSVAPSOEYUCAY-SFTDATJTSA-N 3 2 345.506 3.049 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677446 457698679 /nfs/dbraw/zinc/69/86/79/457698679.db2.gz WNQVXQQRGILJKL-KVSKMBFKSA-N 2 2 339.487 3.162 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677446 457698682 /nfs/dbraw/zinc/69/86/82/457698682.db2.gz WNQVXQQRGILJKL-KVSKMBFKSA-N 2 2 339.487 3.162 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000361356048 457704936 /nfs/dbraw/zinc/70/49/36/457704936.db2.gz OXRWDDWBTUVIFU-VQHPVUNQSA-N 2 2 349.544 3.215 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000365261762 457733781 /nfs/dbraw/zinc/73/37/81/457733781.db2.gz NKUVNIFGPFTZBA-LBPRGKRZSA-N 2 2 335.249 3.037 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000358002576 457737123 /nfs/dbraw/zinc/73/71/23/457737123.db2.gz GWFOTAQCPJSUOM-OXJNMPFZSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000358002576 457737127 /nfs/dbraw/zinc/73/71/27/457737127.db2.gz GWFOTAQCPJSUOM-OXJNMPFZSA-N 2 2 326.488 3.154 20 0 EGADLP CC[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443409027 457760383 /nfs/dbraw/zinc/76/03/83/457760383.db2.gz MJQALLGOTICRJG-UHFFFAOYSA-N 2 2 338.224 3.278 20 0 EGADLP Cc1cccc(NC[C@H]2CCN(c3[nH+]c4cccc(F)c4n3C)C2)[nH+]1 ZINC000443515221 457773938 /nfs/dbraw/zinc/77/39/38/457773938.db2.gz ACSHCEZHYVRUEN-CQSZACIVSA-N 2 2 339.418 3.354 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144473 457812473 /nfs/dbraw/zinc/81/24/73/457812473.db2.gz WYLBPOVEZFZPNF-CRAIPNDOSA-N 2 2 325.456 3.076 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144473 457812481 /nfs/dbraw/zinc/81/24/81/457812481.db2.gz WYLBPOVEZFZPNF-CRAIPNDOSA-N 2 2 325.456 3.076 20 0 EGADLP CC[N@H+](CCc1cncs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000411298942 457853009 /nfs/dbraw/zinc/85/30/09/457853009.db2.gz OGSMHJNYXYBJHG-UHFFFAOYSA-N 2 2 330.501 3.319 20 0 EGADLP CC[N@@H+](CCc1cncs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000411298942 457853016 /nfs/dbraw/zinc/85/30/16/457853016.db2.gz OGSMHJNYXYBJHG-UHFFFAOYSA-N 2 2 330.501 3.319 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)OCCCO2 ZINC000375268343 457857586 /nfs/dbraw/zinc/85/75/86/457857586.db2.gz MZQNIRBVARQFHX-CQSZACIVSA-N 2 2 327.428 3.232 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000361808700 457876600 /nfs/dbraw/zinc/87/66/00/457876600.db2.gz BYOQQKCHDJKTRW-UHFFFAOYSA-N 2 2 344.503 3.102 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000411433755 457886828 /nfs/dbraw/zinc/88/68/28/457886828.db2.gz XHXJDMVJSBINJK-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000411433755 457886832 /nfs/dbraw/zinc/88/68/32/457886832.db2.gz XHXJDMVJSBINJK-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)CC2)nc1 ZINC000358302646 457922056 /nfs/dbraw/zinc/92/20/56/457922056.db2.gz QDKPFATYXBLJBA-BDTNDASRSA-N 2 2 333.479 3.222 20 0 EGADLP CC[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010141 457931395 /nfs/dbraw/zinc/93/13/95/457931395.db2.gz BOFFQMIPANPLOW-FFGOWVMKSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010141 457931400 /nfs/dbraw/zinc/93/14/00/457931400.db2.gz BOFFQMIPANPLOW-FFGOWVMKSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010141 457931403 /nfs/dbraw/zinc/93/14/03/457931403.db2.gz BOFFQMIPANPLOW-FFGOWVMKSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010141 457931408 /nfs/dbraw/zinc/93/14/08/457931408.db2.gz BOFFQMIPANPLOW-FFGOWVMKSA-N 2 2 331.504 3.211 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@]1=O ZINC000411634140 457934417 /nfs/dbraw/zinc/93/44/17/457934417.db2.gz KLERWGZOZYUJQZ-GAJHUEQPSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@]1=O ZINC000411634140 457934422 /nfs/dbraw/zinc/93/44/22/457934422.db2.gz KLERWGZOZYUJQZ-GAJHUEQPSA-N 2 2 334.529 3.015 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000358336377 457941127 /nfs/dbraw/zinc/94/11/27/457941127.db2.gz PSDAOLJEROVRHF-FXAWDEMLSA-N 2 2 345.531 3.136 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000358336377 457941130 /nfs/dbraw/zinc/94/11/30/457941130.db2.gz PSDAOLJEROVRHF-FXAWDEMLSA-N 2 2 345.531 3.136 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427103796 457943324 /nfs/dbraw/zinc/94/33/24/457943324.db2.gz ZBLJGVSOCOZCCO-KSSFIOAISA-N 2 2 330.863 3.018 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427103796 457943329 /nfs/dbraw/zinc/94/33/29/457943329.db2.gz ZBLJGVSOCOZCCO-KSSFIOAISA-N 2 2 330.863 3.018 20 0 EGADLP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)OC ZINC000358345368 457948011 /nfs/dbraw/zinc/94/80/11/457948011.db2.gz NMJFLBMEESLTAW-HXUWFJFHSA-N 2 2 333.520 3.477 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CCCO2 ZINC000367436897 457954903 /nfs/dbraw/zinc/95/49/03/457954903.db2.gz HQBHLZKNUJMYSM-KRWDZBQOSA-N 2 2 327.428 3.232 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)sc2C)cc1OC ZINC000434661059 458030917 /nfs/dbraw/zinc/03/09/17/458030917.db2.gz GEVOXORCGNCZSH-UHFFFAOYSA-N 2 2 347.484 3.059 20 0 EGADLP C[N@H+](CCOc1cccc(F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434741049 458043539 /nfs/dbraw/zinc/04/35/39/458043539.db2.gz ASPWGVSOGUDGSF-PXNSSMCTSA-N 2 2 343.446 3.224 20 0 EGADLP C[N@@H+](CCOc1cccc(F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434741049 458043543 /nfs/dbraw/zinc/04/35/43/458043543.db2.gz ASPWGVSOGUDGSF-PXNSSMCTSA-N 2 2 343.446 3.224 20 0 EGADLP C[NH+](CCOc1cccc(F)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434741049 458043552 /nfs/dbraw/zinc/04/35/52/458043552.db2.gz ASPWGVSOGUDGSF-PXNSSMCTSA-N 2 2 343.446 3.224 20 0 EGADLP C[NH+](CCOc1cccc(F)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434741049 458043554 /nfs/dbraw/zinc/04/35/54/458043554.db2.gz ASPWGVSOGUDGSF-PXNSSMCTSA-N 2 2 343.446 3.224 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794347 458052461 /nfs/dbraw/zinc/05/24/61/458052461.db2.gz MSMORBGHKAFGAK-LMNJBCLMSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794347 458052471 /nfs/dbraw/zinc/05/24/71/458052471.db2.gz MSMORBGHKAFGAK-LMNJBCLMSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434794347 458052477 /nfs/dbraw/zinc/05/24/77/458052477.db2.gz MSMORBGHKAFGAK-LMNJBCLMSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434794347 458052482 /nfs/dbraw/zinc/05/24/82/458052482.db2.gz MSMORBGHKAFGAK-LMNJBCLMSA-N 2 2 327.516 3.428 20 0 EGADLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCc1cccs1 ZINC000435368931 458121075 /nfs/dbraw/zinc/12/10/75/458121075.db2.gz CQVFADYWGLTCQB-UHFFFAOYSA-N 2 2 332.469 3.259 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435373084 458124182 /nfs/dbraw/zinc/12/41/82/458124182.db2.gz TWKAEBPUARCFEO-CYBMUJFWSA-N 2 2 331.847 3.371 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435373084 458124186 /nfs/dbraw/zinc/12/41/86/458124186.db2.gz TWKAEBPUARCFEO-CYBMUJFWSA-N 2 2 331.847 3.371 20 0 EGADLP Cc1nc(C)c(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435421808 458142534 /nfs/dbraw/zinc/14/25/34/458142534.db2.gz JOGAYFAACOAFDA-OAHLLOKOSA-N 2 2 348.541 3.361 20 0 EGADLP Cc1nc(C)c(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435421808 458142539 /nfs/dbraw/zinc/14/25/39/458142539.db2.gz JOGAYFAACOAFDA-OAHLLOKOSA-N 2 2 348.541 3.361 20 0 EGADLP COc1ccc(C)cc1C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435426807 458144769 /nfs/dbraw/zinc/14/47/69/458144769.db2.gz JWDCEHYQLFXBPJ-INIZCTEOSA-N 2 2 345.512 3.380 20 0 EGADLP COc1ccc(C)cc1C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435426807 458144774 /nfs/dbraw/zinc/14/47/74/458144774.db2.gz JWDCEHYQLFXBPJ-INIZCTEOSA-N 2 2 345.512 3.380 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362431125 458171673 /nfs/dbraw/zinc/17/16/73/458171673.db2.gz RESLRLYKOUAZAM-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362431125 458171680 /nfs/dbraw/zinc/17/16/80/458171680.db2.gz RESLRLYKOUAZAM-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CCCN(CCC)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362431125 458171687 /nfs/dbraw/zinc/17/16/87/458171687.db2.gz RESLRLYKOUAZAM-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CCCN(CCC)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362431125 458171694 /nfs/dbraw/zinc/17/16/94/458171694.db2.gz RESLRLYKOUAZAM-HXUWFJFHSA-N 2 2 345.531 3.089 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435613396 458172273 /nfs/dbraw/zinc/17/22/73/458172273.db2.gz JPQQCBONMYDFAF-HNNXBMFYSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435613396 458172274 /nfs/dbraw/zinc/17/22/74/458172274.db2.gz JPQQCBONMYDFAF-HNNXBMFYSA-N 2 2 343.393 3.108 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1ccccc1N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000435737298 458192737 /nfs/dbraw/zinc/19/27/37/458192737.db2.gz GUMUZTONFUTOFV-MRXNPFEDSA-N 2 2 344.528 3.129 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1ccccc1N(C)C)C[C@@H]1CC[NH2+]C1 ZINC000435737298 458192741 /nfs/dbraw/zinc/19/27/41/458192741.db2.gz GUMUZTONFUTOFV-MRXNPFEDSA-N 2 2 344.528 3.129 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435890264 458219770 /nfs/dbraw/zinc/21/97/70/458219770.db2.gz YRFHAJVZJTWCFU-JLTOFOAXSA-N 2 2 338.455 3.091 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953623 458241417 /nfs/dbraw/zinc/24/14/17/458241417.db2.gz PFPVXDFOACKKCW-IHPCNDPISA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953623 458241421 /nfs/dbraw/zinc/24/14/21/458241421.db2.gz PFPVXDFOACKKCW-IHPCNDPISA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953623 458241426 /nfs/dbraw/zinc/24/14/26/458241426.db2.gz PFPVXDFOACKKCW-IHPCNDPISA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953623 458241428 /nfs/dbraw/zinc/24/14/28/458241428.db2.gz PFPVXDFOACKKCW-IHPCNDPISA-N 2 2 336.483 3.300 20 0 EGADLP CCN(C)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cn1 ZINC000447080365 458263458 /nfs/dbraw/zinc/26/34/58/458263458.db2.gz UYKPPGHKFRHVQB-UHFFFAOYSA-N 2 2 340.471 3.285 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000372330944 458278007 /nfs/dbraw/zinc/27/80/07/458278007.db2.gz HGNUJMDZZDIJEC-UWWQBHOKSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Cl ZINC000372330944 458278011 /nfs/dbraw/zinc/27/80/11/458278011.db2.gz HGNUJMDZZDIJEC-UWWQBHOKSA-N 2 2 338.879 3.032 20 0 EGADLP C[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H]1C[NH3+] ZINC000429186432 458288973 /nfs/dbraw/zinc/28/89/73/458288973.db2.gz XIGOWYRCXDSPQU-KBXCAEBGSA-N 2 2 325.412 3.073 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)o1 ZINC000447545526 458309510 /nfs/dbraw/zinc/30/95/10/458309510.db2.gz XKLFAWAFROZEGB-LDQXTDLNSA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)o1 ZINC000447545526 458309514 /nfs/dbraw/zinc/30/95/14/458309514.db2.gz XKLFAWAFROZEGB-LDQXTDLNSA-N 2 2 342.483 3.430 20 0 EGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459342481 458336902 /nfs/dbraw/zinc/33/69/02/458336902.db2.gz ROEPDODPGQZSTN-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459342481 458336908 /nfs/dbraw/zinc/33/69/08/458336908.db2.gz ROEPDODPGQZSTN-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP CCCN(CCc1c[nH+]cn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459342481 458336913 /nfs/dbraw/zinc/33/69/13/458336913.db2.gz ROEPDODPGQZSTN-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP CCCN(CCc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459342481 458336917 /nfs/dbraw/zinc/33/69/17/458336917.db2.gz ROEPDODPGQZSTN-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351532 458339745 /nfs/dbraw/zinc/33/97/45/458339745.db2.gz HCQZBPQKEPDAKV-MRXNPFEDSA-N 2 2 340.471 3.013 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351532 458339748 /nfs/dbraw/zinc/33/97/48/458339748.db2.gz HCQZBPQKEPDAKV-MRXNPFEDSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCc4cccc(C)c4C3)c2cc1C ZINC000429568268 458346825 /nfs/dbraw/zinc/34/68/25/458346825.db2.gz ZPYUZFAFUDTQGD-LJQANCHMSA-N 2 2 349.478 3.381 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCc4cccc(C)c4C3)c2cc1C ZINC000429568268 458346828 /nfs/dbraw/zinc/34/68/28/458346828.db2.gz ZPYUZFAFUDTQGD-LJQANCHMSA-N 2 2 349.478 3.381 20 0 EGADLP CC[C@H](C[NH2+]Cc1cnc(C2CC2)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000459390664 458356101 /nfs/dbraw/zinc/35/61/01/458356101.db2.gz OURQZQCQQQOGIK-HXUWFJFHSA-N 2 2 336.483 3.281 20 0 EGADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000459394433 458357051 /nfs/dbraw/zinc/35/70/51/458357051.db2.gz UAERVBLRCPOFRK-JOCHJYFZSA-N 2 2 341.543 3.286 20 0 EGADLP COCCCOc1cccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000372952965 458358250 /nfs/dbraw/zinc/35/82/50/458358250.db2.gz TXPLLNMKXNUISS-SFHVURJKSA-N 2 2 343.471 3.274 20 0 EGADLP C[C@@H]1SCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686476 458359225 /nfs/dbraw/zinc/35/92/25/458359225.db2.gz NMVIENZJRCEUPD-LNLFQRSKSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1SCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686476 458359232 /nfs/dbraw/zinc/35/92/32/458359232.db2.gz NMVIENZJRCEUPD-LNLFQRSKSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1SCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686476 458359234 /nfs/dbraw/zinc/35/92/34/458359234.db2.gz NMVIENZJRCEUPD-LNLFQRSKSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1SCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686476 458359237 /nfs/dbraw/zinc/35/92/37/458359237.db2.gz NMVIENZJRCEUPD-LNLFQRSKSA-N 2 2 334.529 3.103 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000447933983 458367808 /nfs/dbraw/zinc/36/78/08/458367808.db2.gz ZEZVPYPXUCOQKT-UHFFFAOYSA-N 2 2 325.522 3.031 20 0 EGADLP Cn1cc(C[N@H+](CCc2c[nH+]cn2C)Cc2ccc(Cl)cc2)cn1 ZINC000459438508 458371782 /nfs/dbraw/zinc/37/17/82/458371782.db2.gz HWQRTWJBKFWFIR-UHFFFAOYSA-N 2 2 343.862 3.052 20 0 EGADLP Cn1cc(C[N@@H+](CCc2c[nH+]cn2C)Cc2ccc(Cl)cc2)cn1 ZINC000459438508 458371785 /nfs/dbraw/zinc/37/17/85/458371785.db2.gz HWQRTWJBKFWFIR-UHFFFAOYSA-N 2 2 343.862 3.052 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000459493702 458391481 /nfs/dbraw/zinc/39/14/81/458391481.db2.gz ZWKZISKVYKJBMK-UHFFFAOYSA-N 2 2 332.879 3.217 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000459493702 458391484 /nfs/dbraw/zinc/39/14/84/458391484.db2.gz ZWKZISKVYKJBMK-UHFFFAOYSA-N 2 2 332.879 3.217 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000373107034 458399532 /nfs/dbraw/zinc/39/95/32/458399532.db2.gz OVCIMGXWAUKFIP-KRWDZBQOSA-N 2 2 342.487 3.311 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000373107034 458399533 /nfs/dbraw/zinc/39/95/33/458399533.db2.gz OVCIMGXWAUKFIP-KRWDZBQOSA-N 2 2 342.487 3.311 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373115609 458401536 /nfs/dbraw/zinc/40/15/36/458401536.db2.gz MMLRJHTZRJTUFL-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373115609 458401539 /nfs/dbraw/zinc/40/15/39/458401539.db2.gz MMLRJHTZRJTUFL-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP C[N@H+](Cc1cnc(C2CC2)nc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459562213 458411972 /nfs/dbraw/zinc/41/19/72/458411972.db2.gz OIQVTUHDPJWITD-UHFFFAOYSA-N 2 2 342.409 3.203 20 0 EGADLP C[N@@H+](Cc1cnc(C2CC2)nc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459562213 458411975 /nfs/dbraw/zinc/41/19/75/458411975.db2.gz OIQVTUHDPJWITD-UHFFFAOYSA-N 2 2 342.409 3.203 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000373206656 458429697 /nfs/dbraw/zinc/42/96/97/458429697.db2.gz ULAJFWRSULHQMQ-QGZVFWFLSA-N 2 2 334.533 3.027 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)CC2)n1 ZINC000373206656 458429699 /nfs/dbraw/zinc/42/96/99/458429699.db2.gz ULAJFWRSULHQMQ-QGZVFWFLSA-N 2 2 334.533 3.027 20 0 EGADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(OC)cc1Br)C(C)C ZINC000423480636 458439528 /nfs/dbraw/zinc/43/95/28/458439528.db2.gz WHJKUWIUSBGFPH-NHYWBVRUSA-N 2 2 329.282 3.482 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423509765 458447636 /nfs/dbraw/zinc/44/76/36/458447636.db2.gz JGGXMYMBQIDGHY-OALUTQOASA-N 2 2 347.865 3.062 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1OCc1ccccc1 ZINC000423516001 458448691 /nfs/dbraw/zinc/44/86/91/458448691.db2.gz NHTWZOUTXGGNBU-MJGOQNOKSA-N 2 2 340.467 3.295 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423523041 458451378 /nfs/dbraw/zinc/45/13/78/458451378.db2.gz MVJJQFXVQHMIDV-XJKSGUPXSA-N 2 2 331.485 3.066 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423579145 458458277 /nfs/dbraw/zinc/45/82/77/458458277.db2.gz VTTDREMCRPCFBU-CZUORRHYSA-N 2 2 332.394 3.271 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430543844 458458904 /nfs/dbraw/zinc/45/89/04/458458904.db2.gz NFLKEKLDMPUYJY-VKJFTORMSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430543844 458458906 /nfs/dbraw/zinc/45/89/06/458458906.db2.gz NFLKEKLDMPUYJY-VKJFTORMSA-N 2 2 331.504 3.198 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430564843 458462391 /nfs/dbraw/zinc/46/23/91/458462391.db2.gz CTLDPAVJFYZQAB-IPYPFGDCSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000430564843 458462398 /nfs/dbraw/zinc/46/23/98/458462398.db2.gz CTLDPAVJFYZQAB-IPYPFGDCSA-N 2 2 332.423 3.304 20 0 EGADLP CCN(C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000430575346 458464145 /nfs/dbraw/zinc/46/41/45/458464145.db2.gz QOKDODWNUOPSHD-MAUKXSAKSA-N 2 2 337.483 3.040 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000430575346 458464150 /nfs/dbraw/zinc/46/41/50/458464150.db2.gz QOKDODWNUOPSHD-MAUKXSAKSA-N 2 2 337.483 3.040 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430583914 458466624 /nfs/dbraw/zinc/46/66/24/458466624.db2.gz YHGDHQWXSHDQRC-FQEVSTJZSA-N 2 2 341.455 3.380 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588828 458468093 /nfs/dbraw/zinc/46/80/93/458468093.db2.gz GGHPJQLQOSBTTR-QAPCUYQASA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588828 458468096 /nfs/dbraw/zinc/46/80/96/458468096.db2.gz GGHPJQLQOSBTTR-QAPCUYQASA-N 2 2 327.472 3.472 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607192 458470498 /nfs/dbraw/zinc/47/04/98/458470498.db2.gz XQMRBXXUEMEFES-DLBZAZTESA-N 2 2 331.504 3.377 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000430607192 458470501 /nfs/dbraw/zinc/47/05/01/458470501.db2.gz XQMRBXXUEMEFES-DLBZAZTESA-N 2 2 331.504 3.377 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605196 458470565 /nfs/dbraw/zinc/47/05/65/458470565.db2.gz QAWVYPQRZUSUMY-UTKZUKDTSA-N 2 2 343.515 3.095 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605196 458470567 /nfs/dbraw/zinc/47/05/67/458470567.db2.gz QAWVYPQRZUSUMY-UTKZUKDTSA-N 2 2 343.515 3.095 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430609559 458470725 /nfs/dbraw/zinc/47/07/25/458470725.db2.gz HJXJCQOOOQYQMR-QGZVFWFLSA-N 2 2 329.488 3.023 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430609559 458470730 /nfs/dbraw/zinc/47/07/30/458470730.db2.gz HJXJCQOOOQYQMR-QGZVFWFLSA-N 2 2 329.488 3.023 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1Cl ZINC000423699746 458473528 /nfs/dbraw/zinc/47/35/28/458473528.db2.gz QONSENGGQHDPEH-UHFFFAOYSA-N 2 2 343.858 3.404 20 0 EGADLP Cn1c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)cc2[nH+]c1C1CC1 ZINC000423813723 458489278 /nfs/dbraw/zinc/48/92/78/458489278.db2.gz REPKRBJCTAURJS-VBKZILBWSA-N 2 2 338.455 3.169 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc2ccccc2c1 ZINC000430932233 458507961 /nfs/dbraw/zinc/50/79/61/458507961.db2.gz YRBGBSSQAUTFNR-OLPIVMHESA-N 2 2 339.483 3.075 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)c1ccc2ccccc2c1 ZINC000430932233 458507963 /nfs/dbraw/zinc/50/79/63/458507963.db2.gz YRBGBSSQAUTFNR-OLPIVMHESA-N 2 2 339.483 3.075 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000430944166 458508917 /nfs/dbraw/zinc/50/89/17/458508917.db2.gz SDEZUFIKIPDJEG-NHYWBVRUSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000430944166 458508920 /nfs/dbraw/zinc/50/89/20/458508920.db2.gz SDEZUFIKIPDJEG-NHYWBVRUSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430965918 458511385 /nfs/dbraw/zinc/51/13/85/458511385.db2.gz LWYDSFUICMXFAM-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430965918 458511389 /nfs/dbraw/zinc/51/13/89/458511389.db2.gz LWYDSFUICMXFAM-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[NH2+]CC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000430972352 458512156 /nfs/dbraw/zinc/51/21/56/458512156.db2.gz RWWRKWYSRLFRQV-UHFFFAOYSA-N 2 2 327.259 3.073 20 0 EGADLP CC[C@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000460943598 458541036 /nfs/dbraw/zinc/54/10/36/458541036.db2.gz MZYQTJCJPBAYMQ-IRXDYDNUSA-N 2 2 327.472 3.133 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000438186783 458546782 /nfs/dbraw/zinc/54/67/82/458546782.db2.gz FZEKUMUKIUKXME-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000438186783 458546789 /nfs/dbraw/zinc/54/67/89/458546789.db2.gz FZEKUMUKIUKXME-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000424185930 458579786 /nfs/dbraw/zinc/57/97/86/458579786.db2.gz RIBAXDRDSYVRTH-VQTJNVASSA-N 2 2 325.431 3.273 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000469989470 458605063 /nfs/dbraw/zinc/60/50/63/458605063.db2.gz GKPYYJZBPBCARW-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000469989470 458605067 /nfs/dbraw/zinc/60/50/67/458605067.db2.gz GKPYYJZBPBCARW-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000502289940 458643567 /nfs/dbraw/zinc/64/35/67/458643567.db2.gz YBMSQXDJXFUUBE-BQFCYCMXSA-N 2 2 334.504 3.262 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000502289940 458643571 /nfs/dbraw/zinc/64/35/71/458643571.db2.gz YBMSQXDJXFUUBE-BQFCYCMXSA-N 2 2 334.504 3.262 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026260 458673710 /nfs/dbraw/zinc/67/37/10/458673710.db2.gz VOTYNJXXCODKPS-MJGOQNOKSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026260 458673714 /nfs/dbraw/zinc/67/37/14/458673714.db2.gz VOTYNJXXCODKPS-MJGOQNOKSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026260 458673717 /nfs/dbraw/zinc/67/37/17/458673717.db2.gz VOTYNJXXCODKPS-MJGOQNOKSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026260 458673721 /nfs/dbraw/zinc/67/37/21/458673721.db2.gz VOTYNJXXCODKPS-MJGOQNOKSA-N 2 2 345.531 3.090 20 0 EGADLP C[NH+]1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000494468950 458683573 /nfs/dbraw/zinc/68/35/73/458683573.db2.gz SMXCALAKWFOBQM-ZDUSSCGKSA-N 2 2 327.291 3.280 20 0 EGADLP CC[C@H](Nc1cc(C)cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471687177 458713029 /nfs/dbraw/zinc/71/30/29/458713029.db2.gz IJGSQLWLFIDABF-OALUTQOASA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@H](Nc1cc(C)cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471687177 458713033 /nfs/dbraw/zinc/71/30/33/458713033.db2.gz IJGSQLWLFIDABF-OALUTQOASA-N 2 2 325.456 3.482 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530225078 458723259 /nfs/dbraw/zinc/72/32/59/458723259.db2.gz WNGMAUUQSOZHFD-RHSMWYFYSA-N 2 2 330.476 3.152 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424562 458738103 /nfs/dbraw/zinc/73/81/03/458738103.db2.gz JOTTUTPSABSHOU-LSDHHAIUSA-N 2 2 337.533 3.173 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000432424562 458738107 /nfs/dbraw/zinc/73/81/07/458738107.db2.gz JOTTUTPSABSHOU-LSDHHAIUSA-N 2 2 337.533 3.173 20 0 EGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000474349472 458878649 /nfs/dbraw/zinc/87/86/49/458878649.db2.gz IIPBBJFMHOSZCG-HNNXBMFYSA-N 2 2 336.907 3.493 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000474604870 458894121 /nfs/dbraw/zinc/89/41/21/458894121.db2.gz HTBCRZYZSNLKHT-OBXNSHGQSA-N 2 2 346.515 3.261 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(N3CCC3=O)c2)n1-c1ccccc1 ZINC000441200175 458899090 /nfs/dbraw/zinc/89/90/90/458899090.db2.gz PXUJRRJLDKGKMV-UHFFFAOYSA-N 2 2 346.434 3.207 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000495685793 458919357 /nfs/dbraw/zinc/91/93/57/458919357.db2.gz FIKCFKIEMUFBAK-UHFFFAOYSA-N 2 2 345.447 3.042 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441332341 458920655 /nfs/dbraw/zinc/92/06/55/458920655.db2.gz QYCOFXVHQMVKPL-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441332341 458920645 /nfs/dbraw/zinc/92/06/45/458920645.db2.gz QYCOFXVHQMVKPL-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441332341 458920651 /nfs/dbraw/zinc/92/06/51/458920651.db2.gz QYCOFXVHQMVKPL-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441332341 458920660 /nfs/dbraw/zinc/92/06/60/458920660.db2.gz QYCOFXVHQMVKPL-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)c1 ZINC000519189325 458923715 /nfs/dbraw/zinc/92/37/15/458923715.db2.gz ZXESMSYPANZKRP-KRWDZBQOSA-N 2 2 325.456 3.234 20 0 EGADLP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000467358789 458970290 /nfs/dbraw/zinc/97/02/90/458970290.db2.gz MCMMFFNQEONWQK-VXKWHMMOSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000467358789 458970296 /nfs/dbraw/zinc/97/02/96/458970296.db2.gz MCMMFFNQEONWQK-VXKWHMMOSA-N 2 2 338.495 3.153 20 0 EGADLP O=C(Nc1c[nH+]c2n1CCCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000519745053 458996741 /nfs/dbraw/zinc/99/67/41/458996741.db2.gz ZAXXUZPGXAENNK-UHFFFAOYSA-N 2 2 338.455 3.070 20 0 EGADLP C[C@]1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000468042710 458997712 /nfs/dbraw/zinc/99/77/12/458997712.db2.gz NHRPEJRPBZZINI-PCCBWWKXSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@]1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000468042710 458997719 /nfs/dbraw/zinc/99/77/19/458997719.db2.gz NHRPEJRPBZZINI-PCCBWWKXSA-N 2 2 328.500 3.446 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324066 459014876 /nfs/dbraw/zinc/01/48/76/459014876.db2.gz HNBRVHAZRDMTAN-JKSUJKDBSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324066 459014879 /nfs/dbraw/zinc/01/48/79/459014879.db2.gz HNBRVHAZRDMTAN-JKSUJKDBSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324066 459014885 /nfs/dbraw/zinc/01/48/85/459014885.db2.gz HNBRVHAZRDMTAN-JKSUJKDBSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324066 459014890 /nfs/dbraw/zinc/01/48/90/459014890.db2.gz HNBRVHAZRDMTAN-JKSUJKDBSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577408091 459028388 /nfs/dbraw/zinc/02/83/88/459028388.db2.gz GMLUNUNBGFBBFC-ZDUSSCGKSA-N 2 2 328.441 3.435 20 0 EGADLP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000577408091 459028393 /nfs/dbraw/zinc/02/83/93/459028393.db2.gz GMLUNUNBGFBBFC-ZDUSSCGKSA-N 2 2 328.441 3.435 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000532202056 459046002 /nfs/dbraw/zinc/04/60/02/459046002.db2.gz FMWDDXHZTOHBJR-QZTJIDSGSA-N 2 2 325.541 3.124 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240035 459052392 /nfs/dbraw/zinc/05/23/92/459052392.db2.gz DASGSDJJIXDVFD-DZGCQCFKSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240035 459052397 /nfs/dbraw/zinc/05/23/97/459052397.db2.gz DASGSDJJIXDVFD-DZGCQCFKSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000532239249 459052772 /nfs/dbraw/zinc/05/27/72/459052772.db2.gz MGSZFSHAXCALDG-CABCVRRESA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000532239249 459052780 /nfs/dbraw/zinc/05/27/80/459052780.db2.gz MGSZFSHAXCALDG-CABCVRRESA-N 2 2 337.895 3.297 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000442889327 459054872 /nfs/dbraw/zinc/05/48/72/459054872.db2.gz JZUCCVPGSQAICW-SFHVURJKSA-N 2 2 337.552 3.269 20 0 EGADLP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CCC[NH+]3CCC3)c21 ZINC000496122657 459074944 /nfs/dbraw/zinc/07/49/44/459074944.db2.gz LVSCAPRNYJMUGM-UHFFFAOYSA-N 2 2 345.487 3.170 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064826 459119542 /nfs/dbraw/zinc/11/95/42/459119542.db2.gz FYNCMTYJNRQAJY-UXPWSPDFSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064826 459119553 /nfs/dbraw/zinc/11/95/53/459119553.db2.gz FYNCMTYJNRQAJY-UXPWSPDFSA-N 2 2 330.516 3.474 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477733 459164549 /nfs/dbraw/zinc/16/45/49/459164549.db2.gz HUZRNRBRYXDCIL-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477733 459164551 /nfs/dbraw/zinc/16/45/51/459164551.db2.gz HUZRNRBRYXDCIL-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477733 459164553 /nfs/dbraw/zinc/16/45/53/459164553.db2.gz HUZRNRBRYXDCIL-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477733 459164555 /nfs/dbraw/zinc/16/45/55/459164555.db2.gz HUZRNRBRYXDCIL-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP C[N@@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@@H]1CCC[NH+](C)C1 ZINC000568165647 459236306 /nfs/dbraw/zinc/23/63/06/459236306.db2.gz SRKMHYYDUSIFPK-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@@H]1CCC[NH+](C)C1 ZINC000568165647 459236312 /nfs/dbraw/zinc/23/63/12/459236312.db2.gz SRKMHYYDUSIFPK-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccc(OCc2ccccc2)nc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000568165647 459236321 /nfs/dbraw/zinc/23/63/21/459236321.db2.gz SRKMHYYDUSIFPK-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccc(OCc2ccccc2)nc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000568165647 459236327 /nfs/dbraw/zinc/23/63/27/459236327.db2.gz SRKMHYYDUSIFPK-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)ccc2n1C ZINC000533510769 459246227 /nfs/dbraw/zinc/24/62/27/459246227.db2.gz XCRHWDYFENONKO-SFHVURJKSA-N 2 2 326.444 3.227 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)ccc2n1C ZINC000533510769 459246230 /nfs/dbraw/zinc/24/62/30/459246230.db2.gz XCRHWDYFENONKO-SFHVURJKSA-N 2 2 326.444 3.227 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000481651771 459267446 /nfs/dbraw/zinc/26/74/46/459267446.db2.gz QVXKNDOWTZEBCQ-LSDHHAIUSA-N 2 2 344.421 3.194 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559762892 459275317 /nfs/dbraw/zinc/27/53/17/459275317.db2.gz OZHXDOIAKJGEMJ-QGZVFWFLSA-N 2 2 342.405 3.392 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559762892 459275323 /nfs/dbraw/zinc/27/53/23/459275323.db2.gz OZHXDOIAKJGEMJ-QGZVFWFLSA-N 2 2 342.405 3.392 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083100 459310547 /nfs/dbraw/zinc/31/05/47/459310547.db2.gz OEXTZRWZJFADTP-CABCVRRESA-N 2 2 346.862 3.051 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083100 459310550 /nfs/dbraw/zinc/31/05/50/459310550.db2.gz OEXTZRWZJFADTP-CABCVRRESA-N 2 2 346.862 3.051 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000560338530 459326403 /nfs/dbraw/zinc/32/64/03/459326403.db2.gz FINKLNZBXUMTMA-WMZOPIPTSA-N 2 2 328.460 3.034 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000482882979 459330059 /nfs/dbraw/zinc/33/00/59/459330059.db2.gz HZLXRJUDNMJHBO-RBUKOAKNSA-N 2 2 343.540 3.176 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000482882979 459330064 /nfs/dbraw/zinc/33/00/64/459330064.db2.gz HZLXRJUDNMJHBO-RBUKOAKNSA-N 2 2 343.540 3.176 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000534756368 459351041 /nfs/dbraw/zinc/35/10/41/459351041.db2.gz YATLRUXEKOIOLS-INIZCTEOSA-N 2 2 347.466 3.084 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000534756368 459351044 /nfs/dbraw/zinc/35/10/44/459351044.db2.gz YATLRUXEKOIOLS-INIZCTEOSA-N 2 2 347.466 3.084 20 0 EGADLP CC[NH2+]CCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000582408515 459358814 /nfs/dbraw/zinc/35/88/14/459358814.db2.gz KRLBXGMSFBMCFS-UHFFFAOYSA-N 2 2 341.459 3.008 20 0 EGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582494691 459375747 /nfs/dbraw/zinc/37/57/47/459375747.db2.gz DRLNJTMCJVSHAB-CYBMUJFWSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582494691 459375751 /nfs/dbraw/zinc/37/57/51/459375751.db2.gz DRLNJTMCJVSHAB-CYBMUJFWSA-N 2 2 334.261 3.481 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000496991504 459397833 /nfs/dbraw/zinc/39/78/33/459397833.db2.gz BKAMNHMTPHWOKI-JYJNAYRXSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@@H]1C ZINC000496991504 459397837 /nfs/dbraw/zinc/39/78/37/459397837.db2.gz BKAMNHMTPHWOKI-JYJNAYRXSA-N 2 2 339.524 3.094 20 0 EGADLP CC1(C)CC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000541586375 459469745 /nfs/dbraw/zinc/46/97/45/459469745.db2.gz SCZBBMCIJIQLKZ-INIZCTEOSA-N 2 2 342.487 3.428 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596059870 459504685 /nfs/dbraw/zinc/50/46/85/459504685.db2.gz VEDGMFJTMSEKCI-AWEZNQCLSA-N 2 2 325.547 3.218 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596059870 459504690 /nfs/dbraw/zinc/50/46/90/459504690.db2.gz VEDGMFJTMSEKCI-AWEZNQCLSA-N 2 2 325.547 3.218 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C2 ZINC000526003872 459530617 /nfs/dbraw/zinc/53/06/17/459530617.db2.gz BLHYKWSXQYLNCO-XHSDSOJGSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C2 ZINC000526003872 459530623 /nfs/dbraw/zinc/53/06/23/459530623.db2.gz BLHYKWSXQYLNCO-XHSDSOJGSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)CC2 ZINC000526003872 459530631 /nfs/dbraw/zinc/53/06/31/459530631.db2.gz BLHYKWSXQYLNCO-XHSDSOJGSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)CC2 ZINC000526003872 459530638 /nfs/dbraw/zinc/53/06/38/459530638.db2.gz BLHYKWSXQYLNCO-XHSDSOJGSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000583467841 459543523 /nfs/dbraw/zinc/54/35/23/459543523.db2.gz XCXJYBZVUAMPLT-PPSBMQLTSA-N 2 2 338.442 3.157 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000583467841 459543530 /nfs/dbraw/zinc/54/35/30/459543530.db2.gz XCXJYBZVUAMPLT-PPSBMQLTSA-N 2 2 338.442 3.157 20 0 EGADLP C[C@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C1CCC1 ZINC000526983984 459571288 /nfs/dbraw/zinc/57/12/88/459571288.db2.gz NUIKNQALZGMTQE-AWEZNQCLSA-N 2 2 328.460 3.038 20 0 EGADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)Cc1ccc2ccccc2c1 ZINC000583929579 459621012 /nfs/dbraw/zinc/62/10/12/459621012.db2.gz RERAAZKVVSTVDC-OAQYLSRUSA-N 2 2 349.478 3.108 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@@H+]1C1CC1 ZINC000499701872 459648106 /nfs/dbraw/zinc/64/81/06/459648106.db2.gz NSTMKCUTWYHPBI-QZTJIDSGSA-N 2 2 349.563 3.015 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@H+]1C1CC1 ZINC000499701872 459648113 /nfs/dbraw/zinc/64/81/13/459648113.db2.gz NSTMKCUTWYHPBI-QZTJIDSGSA-N 2 2 349.563 3.015 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000584214102 459680914 /nfs/dbraw/zinc/68/09/14/459680914.db2.gz RGQSJNZNARFYAW-PKOBYXMFSA-N 2 2 348.556 3.102 20 0 EGADLP c1ccc(C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010792 459796221 /nfs/dbraw/zinc/79/62/21/459796221.db2.gz JQIYIFPWYUABAW-SFTDATJTSA-N 2 2 336.483 3.367 20 0 EGADLP c1ccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010792 459796224 /nfs/dbraw/zinc/79/62/24/459796224.db2.gz JQIYIFPWYUABAW-SFTDATJTSA-N 2 2 336.483 3.367 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000597235829 459888818 /nfs/dbraw/zinc/88/88/18/459888818.db2.gz JQUMZGAVCJMJAP-PKOBYXMFSA-N 2 2 327.428 3.084 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000575426910 459973634 /nfs/dbraw/zinc/97/36/34/459973634.db2.gz DCMWQTNTUZXHST-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000575426910 459973642 /nfs/dbraw/zinc/97/36/42/459973642.db2.gz DCMWQTNTUZXHST-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614275102 460077376 /nfs/dbraw/zinc/07/73/76/460077376.db2.gz FUPZNTAJVKXRNZ-GOSISDBHSA-N 2 2 334.423 3.152 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004893 460157372 /nfs/dbraw/zinc/15/73/72/460157372.db2.gz WCWKLVRQHCCDQT-IUODEOHRSA-N 2 2 332.341 3.080 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004893 460157378 /nfs/dbraw/zinc/15/73/78/460157378.db2.gz WCWKLVRQHCCDQT-IUODEOHRSA-N 2 2 332.341 3.080 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669966 460188801 /nfs/dbraw/zinc/18/88/01/460188801.db2.gz KMTKBFLNWKHNOX-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669966 460188807 /nfs/dbraw/zinc/18/88/07/460188807.db2.gz KMTKBFLNWKHNOX-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669966 460188811 /nfs/dbraw/zinc/18/88/11/460188811.db2.gz KMTKBFLNWKHNOX-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669966 460188818 /nfs/dbraw/zinc/18/88/18/460188818.db2.gz KMTKBFLNWKHNOX-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310258 460225389 /nfs/dbraw/zinc/22/53/89/460225389.db2.gz RUTQMOURFLFWJM-ROUUACIJSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000599310258 460225395 /nfs/dbraw/zinc/22/53/95/460225395.db2.gz RUTQMOURFLFWJM-ROUUACIJSA-N 2 2 349.906 3.077 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000626089287 460367112 /nfs/dbraw/zinc/36/71/12/460367112.db2.gz JTURDLUVCGTFKN-SFHVURJKSA-N 2 2 346.515 3.376 20 0 EGADLP CC1([NH+]2CCCC2)CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000631445294 460382277 /nfs/dbraw/zinc/38/22/77/460382277.db2.gz RYIGHTVBVAMRPW-UHFFFAOYSA-N 2 2 335.455 3.337 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CC(F)F)CC2)o1 ZINC000623088792 460408264 /nfs/dbraw/zinc/40/82/64/460408264.db2.gz FJXLTYNJMAOSBO-UHFFFAOYSA-N 2 2 338.402 3.045 20 0 EGADLP O[C@]1(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649549 460457468 /nfs/dbraw/zinc/45/74/68/460457468.db2.gz PJWPZSTWXGNHOQ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649549 460457471 /nfs/dbraw/zinc/45/74/71/460457471.db2.gz PJWPZSTWXGNHOQ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649549 460457473 /nfs/dbraw/zinc/45/74/73/460457473.db2.gz PJWPZSTWXGNHOQ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649549 460457482 /nfs/dbraw/zinc/45/74/82/460457482.db2.gz PJWPZSTWXGNHOQ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631586838 460459486 /nfs/dbraw/zinc/45/94/86/460459486.db2.gz KYLNWAPFKVQIOZ-INIZCTEOSA-N 2 2 329.488 3.189 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCOC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000634680558 460473258 /nfs/dbraw/zinc/47/32/58/460473258.db2.gz VXKVUPIFUWUADF-HKUYNNGSSA-N 2 2 346.515 3.434 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000634680291 460473698 /nfs/dbraw/zinc/47/36/98/460473698.db2.gz PKVUVMXAEDTHKA-INIZCTEOSA-N 2 2 326.550 3.285 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665826 460500063 /nfs/dbraw/zinc/50/00/63/460500063.db2.gz YCJCZOCHSMLQJH-LNLFQRSKSA-N 2 2 326.488 3.322 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631665826 460500068 /nfs/dbraw/zinc/50/00/68/460500068.db2.gz YCJCZOCHSMLQJH-LNLFQRSKSA-N 2 2 326.488 3.322 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623871703 460754895 /nfs/dbraw/zinc/75/48/95/460754895.db2.gz KYRSJXMTFJHYMJ-GFCCVEGCSA-N 2 2 348.384 3.342 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000606903139 460757495 /nfs/dbraw/zinc/75/74/95/460757495.db2.gz DSSKXCIAYPIABO-INIZCTEOSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000606903139 460757502 /nfs/dbraw/zinc/75/75/02/460757502.db2.gz DSSKXCIAYPIABO-INIZCTEOSA-N 2 2 341.455 3.268 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000607150749 460799748 /nfs/dbraw/zinc/79/97/48/460799748.db2.gz SMWSMWJCJKELLZ-UHFFFAOYSA-N 2 2 329.444 3.266 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000607150749 460799751 /nfs/dbraw/zinc/79/97/51/460799751.db2.gz SMWSMWJCJKELLZ-UHFFFAOYSA-N 2 2 329.444 3.266 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629565166 460811194 /nfs/dbraw/zinc/81/11/94/460811194.db2.gz VQCXMQBNZRHQQM-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629565166 460811199 /nfs/dbraw/zinc/81/11/99/460811199.db2.gz VQCXMQBNZRHQQM-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000629609665 460827798 /nfs/dbraw/zinc/82/77/98/460827798.db2.gz JVSPEKWXTSUJFX-YZGWKJHDSA-N 2 2 349.478 3.468 20 0 EGADLP Cc1cn2ccc(C(=O)N(CC[NH+]3CCCC3)c3ccccc3)cc2[nH+]1 ZINC000635595561 460846313 /nfs/dbraw/zinc/84/63/13/460846313.db2.gz NPFWNUPFKSTBFM-UHFFFAOYSA-N 2 2 348.450 3.385 20 0 EGADLP C[NH+](C)CCc1ccc(-c2ccc(NCCc3ccccn3)[nH+]c2)cc1 ZINC000629730920 460893611 /nfs/dbraw/zinc/89/36/11/460893611.db2.gz ATUVCYPGKXHBBH-UHFFFAOYSA-N 2 2 346.478 3.324 20 0 EGADLP CCOCCCNc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c[nH+]1 ZINC000629742014 460899845 /nfs/dbraw/zinc/89/98/45/460899845.db2.gz LTAXXBZAYMQIFY-UHFFFAOYSA-N 2 2 336.439 3.254 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[N@H+](C)CC(C)(C)C)ccc2n1C1CC1 ZINC000635906612 460971548 /nfs/dbraw/zinc/97/15/48/460971548.db2.gz XEQRNIGTZBTNDX-UHFFFAOYSA-N 2 2 342.487 3.274 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000621328101 460989685 /nfs/dbraw/zinc/98/96/85/460989685.db2.gz GRSADXODFGAJIL-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621328101 460989688 /nfs/dbraw/zinc/98/96/88/460989688.db2.gz GRSADXODFGAJIL-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000621339164 460995901 /nfs/dbraw/zinc/99/59/01/460995901.db2.gz XHCQOVOCUWOSCU-IBGZPJMESA-N 2 2 336.439 3.287 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000613661625 461029155 /nfs/dbraw/zinc/02/91/55/461029155.db2.gz YQIAMHNOEVTXNZ-QZTJIDSGSA-N 2 2 339.439 3.395 20 0 EGADLP CCc1[nH+]ccn1Cc1cn(Cc2ccc(C(C)C)[nH+]c2CC)nn1 ZINC000641114091 461116708 /nfs/dbraw/zinc/11/67/08/461116708.db2.gz GSGYIHSHLIMLDE-UHFFFAOYSA-N 2 2 338.459 3.214 20 0 EGADLP CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662258209 461148255 /nfs/dbraw/zinc/14/82/55/461148255.db2.gz SNYIDTMNCDRJDE-KRWDZBQOSA-N 2 2 326.444 3.176 20 0 EGADLP CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662258209 461148260 /nfs/dbraw/zinc/14/82/60/461148260.db2.gz SNYIDTMNCDRJDE-KRWDZBQOSA-N 2 2 326.444 3.176 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000652353589 461148250 /nfs/dbraw/zinc/14/82/50/461148250.db2.gz SPSHCRYPYJNVFY-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000652353589 461148252 /nfs/dbraw/zinc/14/82/52/461148252.db2.gz SPSHCRYPYJNVFY-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1)CC(C)C ZINC000668167736 461151183 /nfs/dbraw/zinc/15/11/83/461151183.db2.gz DVPRHWOHCYXHKC-UHFFFAOYSA-N 3 2 332.536 3.409 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1)CC(C)C ZINC000668167736 461151189 /nfs/dbraw/zinc/15/11/89/461151189.db2.gz DVPRHWOHCYXHKC-UHFFFAOYSA-N 3 2 332.536 3.409 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364121 461156755 /nfs/dbraw/zinc/15/67/55/461156755.db2.gz YSGONTKKXGCKCY-UTUOFQBUSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364121 461156766 /nfs/dbraw/zinc/15/67/66/461156766.db2.gz YSGONTKKXGCKCY-UTUOFQBUSA-N 2 2 349.422 3.023 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)n1C ZINC000668188675 461168403 /nfs/dbraw/zinc/16/84/03/461168403.db2.gz LMSIWZNOCOJYOT-GFCCVEGCSA-N 2 2 336.842 3.232 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCN(c3ccc(Cl)c(F)c3)C[C@H]2C)n1C ZINC000668188675 461168406 /nfs/dbraw/zinc/16/84/06/461168406.db2.gz LMSIWZNOCOJYOT-GFCCVEGCSA-N 2 2 336.842 3.232 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C ZINC000668196778 461173923 /nfs/dbraw/zinc/17/39/23/461173923.db2.gz WGZOJHQSJFSOIM-UHFFFAOYSA-N 2 2 341.242 3.154 20 0 EGADLP Cc1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cs1 ZINC000662326814 461194826 /nfs/dbraw/zinc/19/48/26/461194826.db2.gz CSWRPAYUPMYFOC-UHFFFAOYSA-N 2 2 345.516 3.021 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603774 461213070 /nfs/dbraw/zinc/21/30/70/461213070.db2.gz CTIKZEKCYVMWQT-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603774 461213077 /nfs/dbraw/zinc/21/30/77/461213077.db2.gz CTIKZEKCYVMWQT-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603774 461213084 /nfs/dbraw/zinc/21/30/84/461213084.db2.gz CTIKZEKCYVMWQT-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603774 461213089 /nfs/dbraw/zinc/21/30/89/461213089.db2.gz CTIKZEKCYVMWQT-MRXNPFEDSA-N 2 2 332.517 3.052 20 0 EGADLP c1[nH+]c2n(c1C[NH+]1CCC(c3ccc4cccnc4n3)CC1)CCC2 ZINC000668296406 461233523 /nfs/dbraw/zinc/23/35/23/461233523.db2.gz OUZBUEIKJSFZOD-UHFFFAOYSA-N 2 2 333.439 3.152 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000638186218 461297444 /nfs/dbraw/zinc/29/74/44/461297444.db2.gz OESSFNMZXBXGJU-IHPCNDPISA-N 2 2 341.499 3.116 20 0 EGADLP CSc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000641708762 461331807 /nfs/dbraw/zinc/33/18/07/461331807.db2.gz ZWCWBSSYYXUBLF-UHFFFAOYSA-N 2 2 332.469 3.124 20 0 EGADLP CSc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)o1 ZINC000641740576 461344934 /nfs/dbraw/zinc/34/49/34/461344934.db2.gz AUOJXNOITIXPEX-CQSZACIVSA-N 2 2 332.473 3.149 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292058 461350869 /nfs/dbraw/zinc/35/08/69/461350869.db2.gz UESMVWCHWJKXOD-CTNGQTDRSA-N 3 2 327.516 3.428 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638292058 461350876 /nfs/dbraw/zinc/35/08/76/461350876.db2.gz UESMVWCHWJKXOD-CTNGQTDRSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)CCCC2 ZINC000655682837 461359700 /nfs/dbraw/zinc/35/97/00/461359700.db2.gz LMGIXDCQWYWFQE-KKSFZXQISA-N 2 2 328.500 3.469 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCS2 ZINC000655701015 461372814 /nfs/dbraw/zinc/37/28/14/461372814.db2.gz OPPNKRSKRLIQFF-WBVHZDCISA-N 2 2 336.476 3.206 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nc2ccccc2[nH]1 ZINC000655700928 461372851 /nfs/dbraw/zinc/37/28/51/461372851.db2.gz RBXRFXKKWPGIMG-APWZRJJASA-N 2 2 342.487 3.103 20 0 EGADLP CC(C)(C)c1csc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655711500 461381105 /nfs/dbraw/zinc/38/11/05/461381105.db2.gz HBTSIMKOWZIBIU-OAHLLOKOSA-N 2 2 337.533 3.174 20 0 EGADLP COc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655712843 461383150 /nfs/dbraw/zinc/38/31/50/461383150.db2.gz WRMHRDKCQASRJV-QGZVFWFLSA-N 2 2 338.879 3.082 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655718820 461387523 /nfs/dbraw/zinc/38/75/23/461387523.db2.gz NUWPTVGDDRGKFR-HBMCJLEFSA-N 2 2 344.499 3.058 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655749251 461416894 /nfs/dbraw/zinc/41/68/94/461416894.db2.gz UPABFCUISJZORU-FZKQIMNGSA-N 2 2 344.890 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000655749251 461416899 /nfs/dbraw/zinc/41/68/99/461416899.db2.gz UPABFCUISJZORU-FZKQIMNGSA-N 2 2 344.890 3.406 20 0 EGADLP COc1ccc([C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[NH+]2CCCCC2)cc1 ZINC000631032551 461484820 /nfs/dbraw/zinc/48/48/20/461484820.db2.gz GSSDILNYKVMKFQ-IBGZPJMESA-N 2 2 341.455 3.113 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000653084624 461494149 /nfs/dbraw/zinc/49/41/49/461494149.db2.gz MJVVMQMTLSLJMG-OALUTQOASA-N 2 2 331.504 3.093 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848527 461496870 /nfs/dbraw/zinc/49/68/70/461496870.db2.gz HHKDBDUBSVTJRP-IPELMVKDSA-N 2 2 329.488 3.056 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848527 461496882 /nfs/dbraw/zinc/49/68/82/461496882.db2.gz HHKDBDUBSVTJRP-IPELMVKDSA-N 2 2 329.488 3.056 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655850287 461497910 /nfs/dbraw/zinc/49/79/10/461497910.db2.gz UEBNLYXFFOWJGH-CGTJXYLNSA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655850287 461497916 /nfs/dbraw/zinc/49/79/16/461497916.db2.gz UEBNLYXFFOWJGH-CGTJXYLNSA-N 2 2 332.488 3.241 20 0 EGADLP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000659957236 461516568 /nfs/dbraw/zinc/51/65/68/461516568.db2.gz YNSIPYKCLIDUOC-SFHLNBCPSA-N 2 2 328.500 3.224 20 0 EGADLP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000659957236 461516572 /nfs/dbraw/zinc/51/65/72/461516572.db2.gz YNSIPYKCLIDUOC-SFHLNBCPSA-N 2 2 328.500 3.224 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536251 /nfs/dbraw/zinc/53/62/51/461536251.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 2 345.512 3.048 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536259 /nfs/dbraw/zinc/53/62/59/461536259.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 2 345.512 3.048 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536269 /nfs/dbraw/zinc/53/62/69/461536269.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 2 345.512 3.048 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1Sc2ccccc2NC1=O ZINC000659998901 461536276 /nfs/dbraw/zinc/53/62/76/461536276.db2.gz ZHTKWSNVRVLLRW-RVKKMQEKSA-N 2 2 345.512 3.048 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012896 461544738 /nfs/dbraw/zinc/54/47/38/461544738.db2.gz VKTVORAVIIKRML-WFASDCNBSA-N 2 2 328.378 3.343 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012896 461544746 /nfs/dbraw/zinc/54/47/46/461544746.db2.gz VKTVORAVIIKRML-WFASDCNBSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012896 461544754 /nfs/dbraw/zinc/54/47/54/461544754.db2.gz VKTVORAVIIKRML-WFASDCNBSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012896 461544762 /nfs/dbraw/zinc/54/47/62/461544762.db2.gz VKTVORAVIIKRML-WFASDCNBSA-N 2 2 328.378 3.343 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638721993 461548823 /nfs/dbraw/zinc/54/88/23/461548823.db2.gz YZLPEWHJOPAEHA-NSISKUIASA-N 2 2 338.499 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638721993 461548829 /nfs/dbraw/zinc/54/88/29/461548829.db2.gz YZLPEWHJOPAEHA-NSISKUIASA-N 2 2 338.499 3.371 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000638788472 461578164 /nfs/dbraw/zinc/57/81/64/461578164.db2.gz KRWDWPOFKLOBCR-OXQOHEQNSA-N 2 2 331.504 3.402 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCS[C@@H]3C)c[nH+]c12 ZINC000647258389 461594753 /nfs/dbraw/zinc/59/47/53/461594753.db2.gz BSLWJBWIRAGUKY-MFKMUULPSA-N 2 2 340.290 3.389 20 0 EGADLP C[C@H]1CN(c2ccc(CNc3[nH+]ccc4[nH]ccc43)c[nH+]2)C[C@H](C)O1 ZINC000663390391 461611367 /nfs/dbraw/zinc/61/13/67/461611367.db2.gz HWNMMAKJQHDCPP-KBPBESRZSA-N 2 2 337.427 3.184 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000660197647 461629874 /nfs/dbraw/zinc/62/98/74/461629874.db2.gz GQOFDYKYCDBHPD-WIYYLYMNSA-N 2 2 344.474 3.400 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000660197647 461629885 /nfs/dbraw/zinc/62/98/85/461629885.db2.gz GQOFDYKYCDBHPD-WIYYLYMNSA-N 2 2 344.474 3.400 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)oc21 ZINC000660255880 461669344 /nfs/dbraw/zinc/66/93/44/461669344.db2.gz AWVAZSXHNVPVHK-ZBFHGGJFSA-N 2 2 334.460 3.183 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255880 461669349 /nfs/dbraw/zinc/66/93/49/461669349.db2.gz AWVAZSXHNVPVHK-ZBFHGGJFSA-N 2 2 334.460 3.183 20 0 EGADLP O=C1NCC[NH2+][C@@H]1c1ccccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000653509758 461687780 /nfs/dbraw/zinc/68/77/80/461687780.db2.gz WBFHWHKTZXXWNZ-OAQYLSRUSA-N 2 2 349.478 3.100 20 0 EGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280783 461704087 /nfs/dbraw/zinc/70/40/87/461704087.db2.gz KAJVSPXWUJMDDK-FQEVSTJZSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280783 461704092 /nfs/dbraw/zinc/70/40/92/461704092.db2.gz KAJVSPXWUJMDDK-FQEVSTJZSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280784 461704388 /nfs/dbraw/zinc/70/43/88/461704388.db2.gz KAJVSPXWUJMDDK-HXUWFJFHSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280784 461704392 /nfs/dbraw/zinc/70/43/92/461704392.db2.gz KAJVSPXWUJMDDK-HXUWFJFHSA-N 2 2 346.515 3.408 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1[NH3+] ZINC000647497329 461735815 /nfs/dbraw/zinc/73/58/15/461735815.db2.gz CUNUYSOCDOXONL-SWLSCSKDSA-N 2 2 345.468 3.098 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1[NH3+] ZINC000647497329 461735821 /nfs/dbraw/zinc/73/58/21/461735821.db2.gz CUNUYSOCDOXONL-SWLSCSKDSA-N 2 2 345.468 3.098 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000647500428 461738585 /nfs/dbraw/zinc/73/85/85/461738585.db2.gz NMJSUWPQEPMJLO-UHFFFAOYSA-N 2 2 340.471 3.049 20 0 EGADLP Cc1ncc([C@@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121352 461741367 /nfs/dbraw/zinc/74/13/67/461741367.db2.gz ZLQFDKMTSMAVGU-AHRSYUTCSA-N 2 2 336.483 3.218 20 0 EGADLP Cc1ncc([C@@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121352 461741371 /nfs/dbraw/zinc/74/13/71/461741371.db2.gz ZLQFDKMTSMAVGU-AHRSYUTCSA-N 2 2 336.483 3.218 20 0 EGADLP Cc1ncc([C@@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121352 461741378 /nfs/dbraw/zinc/74/13/78/461741378.db2.gz ZLQFDKMTSMAVGU-AHRSYUTCSA-N 2 2 336.483 3.218 20 0 EGADLP Cc1ncc([C@@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121352 461741386 /nfs/dbraw/zinc/74/13/86/461741386.db2.gz ZLQFDKMTSMAVGU-AHRSYUTCSA-N 2 2 336.483 3.218 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]CCN3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123482 461743530 /nfs/dbraw/zinc/74/35/30/461743530.db2.gz LGYTWCSXAIPDLV-PZJWPPBQSA-N 2 2 325.500 3.206 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]CCN3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123482 461743534 /nfs/dbraw/zinc/74/35/34/461743534.db2.gz LGYTWCSXAIPDLV-PZJWPPBQSA-N 2 2 325.500 3.206 20 0 EGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1Cl ZINC000647541275 461754640 /nfs/dbraw/zinc/75/46/40/461754640.db2.gz VRMWJVUAINPBKV-NSHDSACASA-N 2 2 348.705 3.126 20 0 EGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1Cl ZINC000647541275 461754646 /nfs/dbraw/zinc/75/46/46/461754646.db2.gz VRMWJVUAINPBKV-NSHDSACASA-N 2 2 348.705 3.126 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000643538508 461757999 /nfs/dbraw/zinc/75/79/99/461757999.db2.gz LQRUJZZHEBBWLY-OFQRWUPVSA-N 2 2 341.268 3.060 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000643538255 461758456 /nfs/dbraw/zinc/75/84/56/461758456.db2.gz CKPGYCMWGZMUFS-YDHLFZDLSA-N 2 2 327.241 3.116 20 0 EGADLP CC1CC[NH+]([C@@H](C[NH2+]Cc2ccc(N)nc2)c2cccs2)CC1 ZINC000647550226 461763250 /nfs/dbraw/zinc/76/32/50/461763250.db2.gz GPLFSBSSMZMMRL-INIZCTEOSA-N 2 2 330.501 3.118 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1OC(F)F ZINC000647554283 461765167 /nfs/dbraw/zinc/76/51/67/461765167.db2.gz VYPRBBLQNGYLAR-HNNXBMFYSA-N 2 2 326.387 3.061 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1C ZINC000669699138 461770906 /nfs/dbraw/zinc/77/09/06/461770906.db2.gz RIAAGOPNGFMYPQ-HKUYNNGSSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000669699138 461770915 /nfs/dbraw/zinc/77/09/15/461770915.db2.gz RIAAGOPNGFMYPQ-HKUYNNGSSA-N 2 2 326.488 3.291 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769705 461795064 /nfs/dbraw/zinc/79/50/64/461795064.db2.gz CMCYTHDZPKBTPQ-WFASDCNBSA-N 2 2 343.393 3.154 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000660474532 461801397 /nfs/dbraw/zinc/80/13/97/461801397.db2.gz JNLXAEMQQPCKOB-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000660474532 461801401 /nfs/dbraw/zinc/80/14/01/461801401.db2.gz JNLXAEMQQPCKOB-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP CC[NH+](CC)CCN(Cc1ccccc1)c1cc(CO)cc(C)[nH+]1 ZINC000647871817 461865417 /nfs/dbraw/zinc/86/54/17/461865417.db2.gz OBGLAUVCUFEXCO-UHFFFAOYSA-N 2 2 327.472 3.231 20 0 EGADLP CCCCn1c(SCc2ccc[nH+]c2N)nnc1[C@H](CC)[NH+](C)C ZINC000663954306 461886042 /nfs/dbraw/zinc/88/60/42/461886042.db2.gz NPURHBNTKILQTO-AWEZNQCLSA-N 2 2 348.520 3.360 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)c[nH+]1 ZINC000656783605 461892453 /nfs/dbraw/zinc/89/24/53/461892453.db2.gz RARIWTMNPHLHBT-MRXNPFEDSA-N 3 2 330.501 3.145 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)c[nH+]1 ZINC000656783605 461892457 /nfs/dbraw/zinc/89/24/57/461892457.db2.gz RARIWTMNPHLHBT-MRXNPFEDSA-N 3 2 330.501 3.145 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639374893 461894378 /nfs/dbraw/zinc/89/43/78/461894378.db2.gz MMUKHASCMMAOKN-UHFFFAOYSA-N 2 2 348.487 3.163 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2c3c(nn2C)CCCC3)CC1 ZINC000639375903 461895879 /nfs/dbraw/zinc/89/58/79/461895879.db2.gz KCGIMJFMRUWMOJ-UHFFFAOYSA-N 2 2 330.520 3.139 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647937966 461896283 /nfs/dbraw/zinc/89/62/83/461896283.db2.gz FWRAYGPNODKRRZ-BZPMIXESSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000647937966 461896285 /nfs/dbraw/zinc/89/62/85/461896285.db2.gz FWRAYGPNODKRRZ-BZPMIXESSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938965 461896597 /nfs/dbraw/zinc/89/65/97/461896597.db2.gz XVHNHHJMRYEWQP-UXPWSPDFSA-N 2 2 337.467 3.426 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938965 461896604 /nfs/dbraw/zinc/89/66/04/461896604.db2.gz XVHNHHJMRYEWQP-UXPWSPDFSA-N 2 2 337.467 3.426 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993743 461903349 /nfs/dbraw/zinc/90/33/49/461903349.db2.gz GZQXCLMFPBBRSD-JTQLQIEISA-N 2 2 345.231 3.492 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653761 461904411 /nfs/dbraw/zinc/90/44/11/461904411.db2.gz AHNZRAXNZMMTIE-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653761 461904415 /nfs/dbraw/zinc/90/44/15/461904415.db2.gz AHNZRAXNZMMTIE-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660653761 461904424 /nfs/dbraw/zinc/90/44/24/461904424.db2.gz AHNZRAXNZMMTIE-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660653761 461904428 /nfs/dbraw/zinc/90/44/28/461904428.db2.gz AHNZRAXNZMMTIE-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999484 461906075 /nfs/dbraw/zinc/90/60/75/461906075.db2.gz NJWVQEUCGNNDGF-CYBMUJFWSA-N 2 2 327.241 3.353 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956308 461908428 /nfs/dbraw/zinc/90/84/28/461908428.db2.gz IAJKXNQPPMTGQC-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956308 461908432 /nfs/dbraw/zinc/90/84/32/461908432.db2.gz IAJKXNQPPMTGQC-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956308 461908436 /nfs/dbraw/zinc/90/84/36/461908436.db2.gz IAJKXNQPPMTGQC-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956308 461908440 /nfs/dbraw/zinc/90/84/40/461908440.db2.gz IAJKXNQPPMTGQC-QGZVFWFLSA-N 2 2 344.421 3.371 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000648013939 461942888 /nfs/dbraw/zinc/94/28/88/461942888.db2.gz WLLKWVFVQVMSGG-RHSMWYFYSA-N 2 2 339.443 3.268 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000648013939 461942893 /nfs/dbraw/zinc/94/28/93/461942893.db2.gz WLLKWVFVQVMSGG-RHSMWYFYSA-N 2 2 339.443 3.268 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]CCCc3ccc4c(c3)CCO4)cn21 ZINC000648078760 461972888 /nfs/dbraw/zinc/97/28/88/461972888.db2.gz HFVALRIEJRYOAD-UHFFFAOYSA-N 2 2 335.451 3.343 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000644569497 461990268 /nfs/dbraw/zinc/99/02/68/461990268.db2.gz TTXSVLVDFFGCPQ-DLBZAZTESA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@](O)(C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)C(F)(F)F ZINC000660857801 461998190 /nfs/dbraw/zinc/99/81/90/461998190.db2.gz WBGXYLGGUQRMJT-MRXNPFEDSA-N 2 2 341.377 3.131 20 0 EGADLP Cn1c2ccccc2[nH+]c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000664283534 462003019 /nfs/dbraw/zinc/00/30/19/462003019.db2.gz UIOKZTQQFAPXPF-UHFFFAOYSA-N 2 2 335.455 3.292 20 0 EGADLP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000644624251 462014825 /nfs/dbraw/zinc/01/48/25/462014825.db2.gz SGEANEFJHZLIPI-YWZLYKJASA-N 2 2 343.446 3.435 20 0 EGADLP CCCn1nccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000657317919 462040729 /nfs/dbraw/zinc/04/07/29/462040729.db2.gz FVYFFOHHPFAPGF-UHFFFAOYSA-N 2 2 330.451 3.186 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(OCc3ccccn3)cc1)CCC2 ZINC000657316304 462041429 /nfs/dbraw/zinc/04/14/29/462041429.db2.gz JRXIJWZGJXMOEL-UHFFFAOYSA-N 2 2 334.423 3.093 20 0 EGADLP c1ccc(NCCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)[nH+]c1 ZINC000657344923 462061004 /nfs/dbraw/zinc/06/10/04/462061004.db2.gz HYLWSMKQNCFEIZ-LJQANCHMSA-N 2 2 341.455 3.231 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)n1C ZINC000657355113 462066989 /nfs/dbraw/zinc/06/69/89/462066989.db2.gz BOYZUDGNPHTALO-SECBINFHSA-N 2 2 326.213 3.481 20 0 EGADLP Clc1cnc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000639701876 462067706 /nfs/dbraw/zinc/06/77/06/462067706.db2.gz FPPWEJLBPFVUMD-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP Clc1cnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000639701876 462067710 /nfs/dbraw/zinc/06/77/10/462067710.db2.gz FPPWEJLBPFVUMD-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccn1 ZINC000657357120 462068360 /nfs/dbraw/zinc/06/83/60/462068360.db2.gz XWNJXZFHQBJQEC-HNNXBMFYSA-N 2 2 328.460 3.328 20 0 EGADLP c1[nH+]c2n(c1CN1CC[NH+](Cc3cccc4ccccc43)CC1)CCC2 ZINC000667485859 462106909 /nfs/dbraw/zinc/10/69/09/462106909.db2.gz FQUHNDZVWKZGCQ-UHFFFAOYSA-N 2 2 346.478 3.300 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC000657431412 462117735 /nfs/dbraw/zinc/11/77/35/462117735.db2.gz GRQNBZXPUSLABV-XUVXKRRUSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC000657431412 462117742 /nfs/dbraw/zinc/11/77/42/462117742.db2.gz GRQNBZXPUSLABV-XUVXKRRUSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC000657431412 462117749 /nfs/dbraw/zinc/11/77/49/462117749.db2.gz GRQNBZXPUSLABV-XUVXKRRUSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC000657431412 462117754 /nfs/dbraw/zinc/11/77/54/462117754.db2.gz GRQNBZXPUSLABV-XUVXKRRUSA-N 2 2 338.499 3.417 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H]1OCc1ccccc1 ZINC000657439266 462124079 /nfs/dbraw/zinc/12/40/79/462124079.db2.gz YXWWAMGUJGRWMK-MSOLQXFVSA-N 2 2 325.456 3.303 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000648451836 462124420 /nfs/dbraw/zinc/12/44/20/462124420.db2.gz OFHSUNPBNXGKPG-IAGOWNOFSA-N 2 2 326.550 3.285 20 0 EGADLP COc1cccc(C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@H]2CCCO2)c1 ZINC000667558336 462142695 /nfs/dbraw/zinc/14/26/95/462142695.db2.gz DHNGGMYTVLUQRX-LJQANCHMSA-N 2 2 341.455 3.019 20 0 EGADLP COc1cccc(C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H]2CCCO2)c1 ZINC000667558336 462142701 /nfs/dbraw/zinc/14/27/01/462142701.db2.gz DHNGGMYTVLUQRX-LJQANCHMSA-N 2 2 341.455 3.019 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000667564373 462145410 /nfs/dbraw/zinc/14/54/10/462145410.db2.gz JYZUMBOSVASQSK-OAHLLOKOSA-N 2 2 329.444 3.203 20 0 EGADLP Fc1cncc(Br)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000667563639 462146105 /nfs/dbraw/zinc/14/61/05/462146105.db2.gz KLAMHARNEBHLFM-UHFFFAOYSA-N 2 2 339.212 3.017 20 0 EGADLP FC(F)(F)[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)OC1CCCC1 ZINC000657587422 462191506 /nfs/dbraw/zinc/19/15/06/462191506.db2.gz UXJMPVBHIIKAJI-AWEZNQCLSA-N 2 2 327.350 3.314 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174315 462217257 /nfs/dbraw/zinc/21/72/57/462217257.db2.gz STEUSXSOBWIIAO-CJNGLKHVSA-N 2 2 345.491 3.124 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@H](C)C1 ZINC000645174315 462217263 /nfs/dbraw/zinc/21/72/63/462217263.db2.gz STEUSXSOBWIIAO-CJNGLKHVSA-N 2 2 345.491 3.124 20 0 EGADLP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678208 462226464 /nfs/dbraw/zinc/22/64/64/462226464.db2.gz NNRZEZSYJQIMKQ-HNNXBMFYSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678208 462226472 /nfs/dbraw/zinc/22/64/72/462226472.db2.gz NNRZEZSYJQIMKQ-HNNXBMFYSA-N 2 2 333.442 3.010 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CCc4c([nH+]cn4-c4ccccc4)C3)c2c1C ZINC000645205758 462234504 /nfs/dbraw/zinc/23/45/04/462234504.db2.gz AQCZRSPDSXEQKR-UHFFFAOYSA-N 2 2 344.422 3.323 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)c2c1C ZINC000645217553 462239333 /nfs/dbraw/zinc/23/93/33/462239333.db2.gz FLIQFJCBYUMESC-CQSZACIVSA-N 2 2 336.443 3.101 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](Cc4cccnc4)CC3)c2c1C ZINC000645225906 462243096 /nfs/dbraw/zinc/24/30/96/462243096.db2.gz SSLHOFDLKRNCIY-UHFFFAOYSA-N 2 2 336.443 3.046 20 0 EGADLP COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000651681974 462302440 /nfs/dbraw/zinc/30/24/40/462302440.db2.gz HDLLNTWOONPANB-LJQANCHMSA-N 2 2 334.504 3.060 20 0 EGADLP CC(C)c1nc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c2ccccn21 ZINC000651810108 462342938 /nfs/dbraw/zinc/34/29/38/462342938.db2.gz OJLKRRIAJBUKOM-INIZCTEOSA-N 2 2 337.471 3.349 20 0 EGADLP CC(C)c1nc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c2ccccn21 ZINC000651810108 462342945 /nfs/dbraw/zinc/34/29/45/462342945.db2.gz OJLKRRIAJBUKOM-INIZCTEOSA-N 2 2 337.471 3.349 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000651810702 462345725 /nfs/dbraw/zinc/34/57/25/462345725.db2.gz AWIWZHRGLAJJTD-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000651810702 462345727 /nfs/dbraw/zinc/34/57/27/462345727.db2.gz AWIWZHRGLAJJTD-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000651810702 462345729 /nfs/dbraw/zinc/34/57/29/462345729.db2.gz AWIWZHRGLAJJTD-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000651810702 462345730 /nfs/dbraw/zinc/34/57/30/462345730.db2.gz AWIWZHRGLAJJTD-JXFKEZNVSA-N 2 2 326.488 3.261 20 0 EGADLP CC(C)C[N@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000651865922 462360001 /nfs/dbraw/zinc/36/00/01/462360001.db2.gz MWGLJXJHJFHJIC-SFHVURJKSA-N 2 2 332.467 3.216 20 0 EGADLP CC(C)C[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000651865922 462360005 /nfs/dbraw/zinc/36/00/05/462360005.db2.gz MWGLJXJHJFHJIC-SFHVURJKSA-N 2 2 332.467 3.216 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCC1 ZINC000665246525 462367963 /nfs/dbraw/zinc/36/79/63/462367963.db2.gz HQQVVYPJIXDGGM-XUVXKRRUSA-N 3 2 327.516 3.291 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCC1 ZINC000665246525 462367967 /nfs/dbraw/zinc/36/79/67/462367967.db2.gz HQQVVYPJIXDGGM-XUVXKRRUSA-N 3 2 327.516 3.291 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(CO)c1 ZINC000665253852 462370671 /nfs/dbraw/zinc/37/06/71/462370671.db2.gz BDRIRZWCGGFLDY-JSNMRZPZSA-N 2 2 328.431 3.114 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230333 462437217 /nfs/dbraw/zinc/43/72/17/462437217.db2.gz YHPLNSWNHNZMRT-MSOLQXFVSA-N 2 2 343.515 3.425 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230333 462437218 /nfs/dbraw/zinc/43/72/18/462437218.db2.gz YHPLNSWNHNZMRT-MSOLQXFVSA-N 2 2 343.515 3.425 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292311 462460564 /nfs/dbraw/zinc/46/05/64/462460564.db2.gz WDAHPSNKMZNANE-CJNGLKHVSA-N 2 2 338.879 3.253 20 0 EGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000658292217 462460766 /nfs/dbraw/zinc/46/07/66/462460766.db2.gz ROWVORZVVJGGFT-ICSRJNTNSA-N 2 2 332.488 3.379 20 0 EGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295725 462461635 /nfs/dbraw/zinc/46/16/35/462461635.db2.gz VIWFVXHDTWBFPY-SFTDATJTSA-N 2 2 330.516 3.487 20 0 EGADLP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658296656 462462739 /nfs/dbraw/zinc/46/27/39/462462739.db2.gz UUMIFCYSUOWZRZ-LEWJYISDSA-N 2 2 328.500 3.159 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000665520621 462482454 /nfs/dbraw/zinc/48/24/54/462482454.db2.gz OLALBGGMCCHHKP-QAETUUGQSA-N 2 2 332.492 3.218 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@H]1[NH3+] ZINC000649416732 462503416 /nfs/dbraw/zinc/50/34/16/462503416.db2.gz KAKZRUFPCUHEJI-CZUORRHYSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@H]1[NH3+] ZINC000649416732 462503419 /nfs/dbraw/zinc/50/34/19/462503419.db2.gz KAKZRUFPCUHEJI-CZUORRHYSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(C[C@@](C)([NH3+])CNc2nc(C)[nH+]c3c2CCCC3)cc1 ZINC000542948895 468391177 /nfs/dbraw/zinc/39/11/77/468391177.db2.gz GDMNRNXKFIAXHQ-HXUWFJFHSA-N 2 2 340.471 3.044 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000174159488 534134304 /nfs/dbraw/zinc/13/43/04/534134304.db2.gz QAVPNOFQCBVFFE-QWHCGFSZSA-N 2 2 334.851 3.335 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000174159488 534134316 /nfs/dbraw/zinc/13/43/16/534134316.db2.gz QAVPNOFQCBVFFE-QWHCGFSZSA-N 2 2 334.851 3.335 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)n1 ZINC000153649978 534751757 /nfs/dbraw/zinc/75/17/57/534751757.db2.gz ONJFHPSLPOEAOW-GFCCVEGCSA-N 2 2 325.391 3.269 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000163750461 528578844 /nfs/dbraw/zinc/57/88/44/528578844.db2.gz JNVYRNQMPFLYFH-KRWDZBQOSA-N 2 2 342.487 3.147 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]2CCCO[C@H]21 ZINC000246505080 535072954 /nfs/dbraw/zinc/07/29/54/535072954.db2.gz XXFMERYDRRBIFP-BMGDILEWSA-N 2 2 329.419 3.305 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC4(CCOCC4)C3)sc2C1 ZINC000346197852 535250473 /nfs/dbraw/zinc/25/04/73/535250473.db2.gz JYCFHGMKXOHOQR-UHFFFAOYSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC4(CCOCC4)C3)sc2C1 ZINC000346197852 535250481 /nfs/dbraw/zinc/25/04/81/535250481.db2.gz JYCFHGMKXOHOQR-UHFFFAOYSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC4(CCOCC4)C3)sc2C1 ZINC000346197852 535250487 /nfs/dbraw/zinc/25/04/87/535250487.db2.gz JYCFHGMKXOHOQR-UHFFFAOYSA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC4(CCOCC4)C3)sc2C1 ZINC000346197852 535250491 /nfs/dbraw/zinc/25/04/91/535250491.db2.gz JYCFHGMKXOHOQR-UHFFFAOYSA-N 2 2 349.544 3.302 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC000347884153 536055409 /nfs/dbraw/zinc/05/54/09/536055409.db2.gz RAEUNEKAHDCMOP-HNNXBMFYSA-N 2 2 333.476 3.408 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC000347884153 536055415 /nfs/dbraw/zinc/05/54/15/536055415.db2.gz RAEUNEKAHDCMOP-HNNXBMFYSA-N 2 2 333.476 3.408 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000163693108 546974587 /nfs/dbraw/zinc/97/45/87/546974587.db2.gz FUHMVGUSZLFFFH-QGZVFWFLSA-N 2 2 334.504 3.483 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000165397857 546985062 /nfs/dbraw/zinc/98/50/62/546985062.db2.gz BEYACANFCTVCFN-MRXNPFEDSA-N 3 2 333.495 3.110 20 0 EGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000180591435 547058775 /nfs/dbraw/zinc/05/87/75/547058775.db2.gz MHLGZMQPVSHAGC-CVEARBPZSA-N 2 2 342.487 3.269 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000273141740 547348743 /nfs/dbraw/zinc/34/87/43/547348743.db2.gz FEEBSSKETHGAJS-FQEVSTJZSA-N 2 2 326.488 3.220 20 0 EGADLP c1[nH]cc(CCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)[nH+]1 ZINC000281052931 547375655 /nfs/dbraw/zinc/37/56/55/547375655.db2.gz RAUVPOBXBUYPRE-UHFFFAOYSA-N 2 2 337.427 3.231 20 0 EGADLP c1[nH]c(CCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c[nH+]1 ZINC000281052931 547375657 /nfs/dbraw/zinc/37/56/57/547375657.db2.gz RAUVPOBXBUYPRE-UHFFFAOYSA-N 2 2 337.427 3.231 20 0 EGADLP CCc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000343612655 547603505 /nfs/dbraw/zinc/60/35/05/547603505.db2.gz QEYYBLATSIBDGX-NRFANRHFSA-N 2 2 336.483 3.450 20 0 EGADLP CCc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C)[nH+]1 ZINC000343612655 547603511 /nfs/dbraw/zinc/60/35/11/547603511.db2.gz QEYYBLATSIBDGX-NRFANRHFSA-N 2 2 336.483 3.450 20 0 EGADLP C[C@@H](c1ccccc1F)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947161 547886091 /nfs/dbraw/zinc/88/60/91/547886091.db2.gz ZNWMOHPHRILERY-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947161 547886097 /nfs/dbraw/zinc/88/60/97/547886097.db2.gz ZNWMOHPHRILERY-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425947161 547886101 /nfs/dbraw/zinc/88/61/01/547886101.db2.gz ZNWMOHPHRILERY-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425947161 547886106 /nfs/dbraw/zinc/88/61/06/547886106.db2.gz ZNWMOHPHRILERY-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](CC[N@@H+]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838895 547928321 /nfs/dbraw/zinc/92/83/21/547928321.db2.gz FOYIYSXYVNAMEN-SQNIBIBYSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[N@H+]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838895 547928325 /nfs/dbraw/zinc/92/83/25/547928325.db2.gz FOYIYSXYVNAMEN-SQNIBIBYSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@H](C(C)(C)C)C1)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838895 547928329 /nfs/dbraw/zinc/92/83/29/547928329.db2.gz FOYIYSXYVNAMEN-SQNIBIBYSA-N 2 2 340.552 3.259 20 0 EGADLP C[C@H](CC[NH+]1CCO[C@H](C(C)(C)C)C1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447838895 547928336 /nfs/dbraw/zinc/92/83/36/547928336.db2.gz FOYIYSXYVNAMEN-SQNIBIBYSA-N 2 2 340.552 3.259 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000482871376 547966105 /nfs/dbraw/zinc/96/61/05/547966105.db2.gz HPJGEDFIXXRJHI-LEWJYISDSA-N 2 2 329.532 3.013 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000482871376 547966106 /nfs/dbraw/zinc/96/61/06/547966106.db2.gz HPJGEDFIXXRJHI-LEWJYISDSA-N 2 2 329.532 3.013 20 0 EGADLP CCCC[C@@H](CC)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000604977860 548115322 /nfs/dbraw/zinc/11/53/22/548115322.db2.gz CEUSQQRGELOQLS-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP CCCC[C@@H](CC)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000604977860 548115326 /nfs/dbraw/zinc/11/53/26/548115326.db2.gz CEUSQQRGELOQLS-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2cnn(C)c2)c1 ZINC000670263518 548192228 /nfs/dbraw/zinc/19/22/28/548192228.db2.gz UXCAUBVZSIXRDX-LJQANCHMSA-N 2 2 335.455 3.429 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2cnn(C)c2)c1 ZINC000670263518 548192234 /nfs/dbraw/zinc/19/22/34/548192234.db2.gz UXCAUBVZSIXRDX-LJQANCHMSA-N 2 2 335.455 3.429 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000670983701 548242953 /nfs/dbraw/zinc/24/29/53/548242953.db2.gz OHQUDPCVDVAKRH-UHFFFAOYSA-N 2 2 327.428 3.300 20 0 EGADLP CC1(C)C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241005 548267047 /nfs/dbraw/zinc/26/70/47/548267047.db2.gz MZEISZDFOSWGOQ-LJQANCHMSA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241005 548267051 /nfs/dbraw/zinc/26/70/51/548267051.db2.gz MZEISZDFOSWGOQ-LJQANCHMSA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241005 548267055 /nfs/dbraw/zinc/26/70/55/548267055.db2.gz MZEISZDFOSWGOQ-LJQANCHMSA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241005 548267060 /nfs/dbraw/zinc/26/70/60/548267060.db2.gz MZEISZDFOSWGOQ-LJQANCHMSA-N 2 2 346.515 3.167 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2ccc(OC)cc2)no1 ZINC000674373528 548741159 /nfs/dbraw/zinc/74/11/59/548741159.db2.gz XWNITNVFJSPTJB-SJORKVTESA-N 2 2 341.455 3.409 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2ccc(OC)cc2)no1 ZINC000674373528 548741161 /nfs/dbraw/zinc/74/11/61/548741161.db2.gz XWNITNVFJSPTJB-SJORKVTESA-N 2 2 341.455 3.409 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccc(OC)cc2)no1 ZINC000674373528 548741165 /nfs/dbraw/zinc/74/11/65/548741165.db2.gz XWNITNVFJSPTJB-SJORKVTESA-N 2 2 341.455 3.409 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccc(OC)cc2)no1 ZINC000674373528 548741167 /nfs/dbraw/zinc/74/11/67/548741167.db2.gz XWNITNVFJSPTJB-SJORKVTESA-N 2 2 341.455 3.409 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000675735558 548969863 /nfs/dbraw/zinc/96/98/63/548969863.db2.gz NQLYEUWKVPQGRE-QINHECLXSA-N 2 2 332.488 3.162 20 0 EGADLP COc1cccc2c1OCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000675748325 548973498 /nfs/dbraw/zinc/97/34/98/548973498.db2.gz XLZSFZUPIAVBTF-QGZVFWFLSA-N 2 2 339.439 3.172 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000678080057 549391549 /nfs/dbraw/zinc/39/15/49/549391549.db2.gz MPTNLLOSHGDYCF-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000678080057 549391553 /nfs/dbraw/zinc/39/15/53/549391553.db2.gz MPTNLLOSHGDYCF-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000678234499 549435755 /nfs/dbraw/zinc/43/57/55/549435755.db2.gz GOOWCYSIJXSNGG-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000678234499 549435758 /nfs/dbraw/zinc/43/57/58/549435758.db2.gz GOOWCYSIJXSNGG-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000678235476 549436501 /nfs/dbraw/zinc/43/65/01/549436501.db2.gz UMRNGBHZCHIDNF-CYBMUJFWSA-N 2 2 325.334 3.461 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000678235476 549436506 /nfs/dbraw/zinc/43/65/06/549436506.db2.gz UMRNGBHZCHIDNF-CYBMUJFWSA-N 2 2 325.334 3.461 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678236274 549437185 /nfs/dbraw/zinc/43/71/85/549437185.db2.gz XLNYQFOOMRUOAN-MRXNPFEDSA-N 2 2 345.443 3.136 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000678236274 549437188 /nfs/dbraw/zinc/43/71/88/549437188.db2.gz XLNYQFOOMRUOAN-MRXNPFEDSA-N 2 2 345.443 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3ccsc3)c2cc1C ZINC000678586255 549524353 /nfs/dbraw/zinc/52/43/53/549524353.db2.gz DBYGCXYLZPDGST-GDBMZVCRSA-N 2 2 329.469 3.426 20 0 EGADLP CCC(=O)N1CCC([NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000681108827 549955117 /nfs/dbraw/zinc/95/51/17/549955117.db2.gz LRFYPZHKBADRHM-HXUWFJFHSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(=O)N1CCC([NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000681108827 549955118 /nfs/dbraw/zinc/95/51/18/549955118.db2.gz LRFYPZHKBADRHM-HXUWFJFHSA-N 2 2 345.531 3.134 20 0 EGADLP Oc1cccc2c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c12 ZINC000682238735 550085753 /nfs/dbraw/zinc/08/57/53/550085753.db2.gz QVJLOTZZXCARRS-LJQANCHMSA-N 2 2 349.434 3.426 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000684113302 550292669 /nfs/dbraw/zinc/29/26/69/550292669.db2.gz CHHFXASVMQIJPO-FUHWJXTLSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000684113302 550292670 /nfs/dbraw/zinc/29/26/70/550292670.db2.gz CHHFXASVMQIJPO-FUHWJXTLSA-N 2 2 331.504 3.422 20 0 EGADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000583588910 574669477 /nfs/dbraw/zinc/66/94/77/574669477.db2.gz USYHILFMMPBKGH-IYBDPMFKSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000583588910 574669478 /nfs/dbraw/zinc/66/94/78/574669478.db2.gz USYHILFMMPBKGH-IYBDPMFKSA-N 2 2 339.439 3.429 20 0 EGADLP COc1c(C)c[nH+]c(COC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1C ZINC000754872141 575236225 /nfs/dbraw/zinc/23/62/25/575236225.db2.gz OSZRBLPFMFOEAL-UHFFFAOYSA-N 2 2 334.460 3.403 20 0 EGADLP COc1c(C)c[nH+]c(COC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c1C ZINC000754872141 575236226 /nfs/dbraw/zinc/23/62/26/575236226.db2.gz OSZRBLPFMFOEAL-UHFFFAOYSA-N 2 2 334.460 3.403 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[NH+]1CCCCC1 ZINC000732958707 575298242 /nfs/dbraw/zinc/29/82/42/575298242.db2.gz USIZSFPOVFTNDU-INIZCTEOSA-N 2 2 339.439 3.478 20 0 EGADLP CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000733164021 575311928 /nfs/dbraw/zinc/31/19/28/575311928.db2.gz KFDKLIPHQPODAT-SFHVURJKSA-N 2 2 327.428 3.190 20 0 EGADLP NC(CC1CC1)=[NH+]OCc1ccc(CO[NH+]=C(N)CC2CC2)cc1 ZINC000742364673 576773617 /nfs/dbraw/zinc/77/36/17/576773617.db2.gz ISAFIZGYFOTBSD-UHFFFAOYSA-N 2 2 330.432 3.284 20 0 EGADLP Cc1cccn2c(C[NH2+]Cc3ccc(C(=O)N4CCCC4)cc3)c[nH+]c12 ZINC000742366866 576774201 /nfs/dbraw/zinc/77/42/01/576774201.db2.gz YGBPMTUOTNWBDK-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000743273556 576805080 /nfs/dbraw/zinc/80/50/80/576805080.db2.gz RXACGXMHIPORCD-YADHBBJMSA-N 2 2 336.479 3.243 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000743273556 576805081 /nfs/dbraw/zinc/80/50/81/576805081.db2.gz RXACGXMHIPORCD-YADHBBJMSA-N 2 2 336.479 3.243 20 0 EGADLP CCn1cc[nH+]c1CNc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000744449599 576828686 /nfs/dbraw/zinc/82/86/86/576828686.db2.gz KVHYFAFUOGAYBM-INIZCTEOSA-N 2 2 328.460 3.236 20 0 EGADLP CCn1cc[nH+]c1CNc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000744449599 576828687 /nfs/dbraw/zinc/82/86/87/576828687.db2.gz KVHYFAFUOGAYBM-INIZCTEOSA-N 2 2 328.460 3.236 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(Br)cc1F)Cn1cc[nH+]c1 ZINC000062254428 1291984478 /nfs/dbraw/zinc/98/44/78/1291984478.db2.gz LRAOKZQDNCYJPW-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCCC(C)C ZINC000065271600 1292078158 /nfs/dbraw/zinc/07/81/58/1292078158.db2.gz FTLQSVQNVMQMMJ-MRXNPFEDSA-N 2 2 331.460 3.495 20 0 EGADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000068574940 1292208266 /nfs/dbraw/zinc/20/82/66/1292208266.db2.gz KCHSXLGULJCFGM-QGZVFWFLSA-N 2 2 348.878 3.044 20 0 EGADLP CCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000069747516 1292249475 /nfs/dbraw/zinc/24/94/75/1292249475.db2.gz KCMKPMGAZIGPPO-UHFFFAOYSA-N 2 2 340.467 3.207 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860749 1292295645 /nfs/dbraw/zinc/29/56/45/1292295645.db2.gz IHDYOUBDYNVQNF-OAHLLOKOSA-N 2 2 340.467 3.055 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860749 1292295649 /nfs/dbraw/zinc/29/56/49/1292295649.db2.gz IHDYOUBDYNVQNF-OAHLLOKOSA-N 2 2 340.467 3.055 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860749 1292295655 /nfs/dbraw/zinc/29/56/55/1292295655.db2.gz IHDYOUBDYNVQNF-OAHLLOKOSA-N 2 2 340.467 3.055 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000072860749 1292295660 /nfs/dbraw/zinc/29/56/60/1292295660.db2.gz IHDYOUBDYNVQNF-OAHLLOKOSA-N 2 2 340.467 3.055 20 0 EGADLP CN(CC(F)F)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000081538543 1292661652 /nfs/dbraw/zinc/66/16/52/1292661652.db2.gz JQIJQHLOMGVSTC-UHFFFAOYSA-N 2 2 334.414 3.034 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089154540 1292759068 /nfs/dbraw/zinc/75/90/68/1292759068.db2.gz DDQNXPFGAITLBO-SFHVURJKSA-N 2 2 339.524 3.098 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089154540 1292759075 /nfs/dbraw/zinc/75/90/75/1292759075.db2.gz DDQNXPFGAITLBO-SFHVURJKSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3F)c2)CCO1 ZINC000107712083 1293071822 /nfs/dbraw/zinc/07/18/22/1293071822.db2.gz CQJDMPPPKOEJGM-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3F)c2)CCO1 ZINC000107712083 1293071828 /nfs/dbraw/zinc/07/18/28/1293071828.db2.gz CQJDMPPPKOEJGM-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(F)cccc2Cl)nc[nH+]1 ZINC000109069989 1293087378 /nfs/dbraw/zinc/08/73/78/1293087378.db2.gz JFZXRJFRJBIBDI-GFCCVEGCSA-N 2 2 349.841 3.069 20 0 EGADLP CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000834798975 1293150787 /nfs/dbraw/zinc/15/07/87/1293150787.db2.gz FKUVJSAQSHDRAF-UHFFFAOYSA-N 2 2 338.455 3.009 20 0 EGADLP CCOc1c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(C)nn1CC(C)C ZINC000120942554 1293347718 /nfs/dbraw/zinc/34/77/18/1293347718.db2.gz JSECMCJDONSPBJ-MRXNPFEDSA-N 2 2 336.524 3.068 20 0 EGADLP C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000125165806 1293497488 /nfs/dbraw/zinc/49/74/88/1293497488.db2.gz DZBSQURVWZRPFN-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000125165806 1293497492 /nfs/dbraw/zinc/49/74/92/1293497492.db2.gz DZBSQURVWZRPFN-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460152 1293657484 /nfs/dbraw/zinc/65/74/84/1293657484.db2.gz ZROHSQFUVVHTCQ-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460152 1293657490 /nfs/dbraw/zinc/65/74/90/1293657490.db2.gz ZROHSQFUVVHTCQ-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460152 1293657492 /nfs/dbraw/zinc/65/74/92/1293657492.db2.gz ZROHSQFUVVHTCQ-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460152 1293657497 /nfs/dbraw/zinc/65/74/97/1293657497.db2.gz ZROHSQFUVVHTCQ-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1Cl ZINC000151118841 1293908842 /nfs/dbraw/zinc/90/88/42/1293908842.db2.gz LWJABRMYHIPLEV-OAHLLOKOSA-N 2 2 348.878 3.114 20 0 EGADLP Cc1csc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000157336357 1294174663 /nfs/dbraw/zinc/17/46/63/1294174663.db2.gz OOTVVNCBYOJZCH-YJBOKZPZSA-N 2 2 344.528 3.279 20 0 EGADLP Cc1csc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000157336357 1294174667 /nfs/dbraw/zinc/17/46/67/1294174667.db2.gz OOTVVNCBYOJZCH-YJBOKZPZSA-N 2 2 344.528 3.279 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177551993 1294677462 /nfs/dbraw/zinc/67/74/62/1294677462.db2.gz RGLFHVIVOZCYHN-INIZCTEOSA-N 2 2 339.524 3.098 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000182778832 1295074742 /nfs/dbraw/zinc/07/47/42/1295074742.db2.gz KFPCMQKUPVNFAF-UHFFFAOYSA-N 2 2 326.916 3.408 20 0 EGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000190320483 1295582541 /nfs/dbraw/zinc/58/25/41/1295582541.db2.gz FSVMFDLUKPQTSP-HXUWFJFHSA-N 2 2 344.499 3.346 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538136 1296593227 /nfs/dbraw/zinc/59/32/27/1296593227.db2.gz FLMVYEGTOHRYBY-PWRODBHTSA-N 3 2 327.516 3.161 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](O)c1ccccc1 ZINC000872133087 1296756985 /nfs/dbraw/zinc/75/69/85/1296756985.db2.gz NKSMUAYJBWYFAG-UYAOXDASSA-N 2 2 325.456 3.152 20 0 EGADLP CC(C)c1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000305131304 1296984258 /nfs/dbraw/zinc/98/42/58/1296984258.db2.gz JXMOOJNBBZHQCR-IAGOWNOFSA-N 2 2 337.533 3.124 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592293 1297018605 /nfs/dbraw/zinc/01/86/05/1297018605.db2.gz XLFOMDKAHWJLRX-QFBILLFUSA-N 2 2 328.435 3.063 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592293 1297018622 /nfs/dbraw/zinc/01/86/22/1297018622.db2.gz XLFOMDKAHWJLRX-QFBILLFUSA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592293 1297018638 /nfs/dbraw/zinc/01/86/38/1297018638.db2.gz XLFOMDKAHWJLRX-QFBILLFUSA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592293 1297018655 /nfs/dbraw/zinc/01/86/55/1297018655.db2.gz XLFOMDKAHWJLRX-QFBILLFUSA-N 2 2 328.435 3.063 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592294 1297019298 /nfs/dbraw/zinc/01/92/98/1297019298.db2.gz XLFOMDKAHWJLRX-VQIMIIECSA-N 2 2 328.435 3.063 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592294 1297019313 /nfs/dbraw/zinc/01/93/13/1297019313.db2.gz XLFOMDKAHWJLRX-VQIMIIECSA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592294 1297019326 /nfs/dbraw/zinc/01/93/26/1297019326.db2.gz XLFOMDKAHWJLRX-VQIMIIECSA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000872592294 1297019339 /nfs/dbraw/zinc/01/93/39/1297019339.db2.gz XLFOMDKAHWJLRX-VQIMIIECSA-N 2 2 328.435 3.063 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000309909262 1297078165 /nfs/dbraw/zinc/07/81/65/1297078165.db2.gz VIMIRPBNPNUHAX-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350437 1297255576 /nfs/dbraw/zinc/25/55/76/1297255576.db2.gz NGDRUBFAZLGOGZ-CZUORRHYSA-N 2 2 325.294 3.454 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350437 1297255584 /nfs/dbraw/zinc/25/55/84/1297255584.db2.gz NGDRUBFAZLGOGZ-CZUORRHYSA-N 2 2 325.294 3.454 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000328218340 1297256067 /nfs/dbraw/zinc/25/60/67/1297256067.db2.gz XQBMXFUOKLRDDS-SFHVURJKSA-N 2 2 347.503 3.285 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)C1 ZINC000328218340 1297256077 /nfs/dbraw/zinc/25/60/77/1297256077.db2.gz XQBMXFUOKLRDDS-SFHVURJKSA-N 2 2 347.503 3.285 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632352 1297507287 /nfs/dbraw/zinc/50/72/87/1297507287.db2.gz SIWUQWMZJGLVID-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632352 1297507291 /nfs/dbraw/zinc/50/72/91/1297507291.db2.gz SIWUQWMZJGLVID-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664080 1297508594 /nfs/dbraw/zinc/50/85/94/1297508594.db2.gz PASDGHVWPOMNAV-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664080 1297508604 /nfs/dbraw/zinc/50/86/04/1297508604.db2.gz PASDGHVWPOMNAV-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874887 1298152709 /nfs/dbraw/zinc/15/27/09/1298152709.db2.gz AGOORHFJNLJOCP-JYJNAYRXSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874887 1298152711 /nfs/dbraw/zinc/15/27/11/1298152711.db2.gz AGOORHFJNLJOCP-JYJNAYRXSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584119 1298244123 /nfs/dbraw/zinc/24/41/23/1298244123.db2.gz BZSRKWJNDCNGRR-PKOBYXMFSA-N 2 2 334.467 3.192 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000708584119 1298244131 /nfs/dbraw/zinc/24/41/31/1298244131.db2.gz BZSRKWJNDCNGRR-PKOBYXMFSA-N 2 2 334.467 3.192 20 0 EGADLP Cc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(N(C)C)[nH+]1 ZINC000750406135 1299394005 /nfs/dbraw/zinc/39/40/05/1299394005.db2.gz PVGYEPWNYNXKJS-UHFFFAOYSA-N 2 2 347.507 3.040 20 0 EGADLP Cc1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(N(C)C)[nH+]1 ZINC000750406135 1299394019 /nfs/dbraw/zinc/39/40/19/1299394019.db2.gz PVGYEPWNYNXKJS-UHFFFAOYSA-N 2 2 347.507 3.040 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878667833 1300135342 /nfs/dbraw/zinc/13/53/42/1300135342.db2.gz CMXVFSCWBPXTGH-VQTJNVASSA-N 2 2 346.515 3.122 20 0 EGADLP C[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000754500672 1300153993 /nfs/dbraw/zinc/15/39/93/1300153993.db2.gz QYNHGFKDRZUIED-BZUAXINKSA-N 2 2 327.428 3.177 20 0 EGADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568071 1301164952 /nfs/dbraw/zinc/16/49/52/1301164952.db2.gz SMTKESIVNMDIID-ZIFCJYIRSA-N 2 2 340.471 3.004 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CC[NH2+]CCC34CCC4)cc(=O)oc2c1 ZINC000883459288 1302452708 /nfs/dbraw/zinc/45/27/08/1302452708.db2.gz QVLWROSACUFRJP-UHFFFAOYSA-N 2 2 326.440 3.073 20 0 EGADLP CCc1ccc2c(C[N@H+]3CC[NH2+]CCC34CCC4)cc(=O)oc2c1 ZINC000883459288 1302452715 /nfs/dbraw/zinc/45/27/15/1302452715.db2.gz QVLWROSACUFRJP-UHFFFAOYSA-N 2 2 326.440 3.073 20 0 EGADLP C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770417208 1303265557 /nfs/dbraw/zinc/26/55/57/1303265557.db2.gz LJUDUKJGBAZKFW-UHFFFAOYSA-N 2 2 349.438 3.093 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000885949461 1303293386 /nfs/dbraw/zinc/29/33/86/1303293386.db2.gz YKZMDOGYYASPGX-HNNXBMFYSA-N 2 2 337.471 3.420 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000886069874 1303345645 /nfs/dbraw/zinc/34/56/45/1303345645.db2.gz LOGBUZCMKCEOHG-KRWDZBQOSA-N 2 2 335.455 3.099 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000773138372 1303632541 /nfs/dbraw/zinc/63/25/41/1303632541.db2.gz LCKZVEHEBNBRHH-ALXJQNPVSA-N 2 2 331.504 3.267 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)Cc2ccccc2C1 ZINC000775394402 1303954712 /nfs/dbraw/zinc/95/47/12/1303954712.db2.gz QULCXYFFACCJJY-FGTMMUONSA-N 2 2 348.581 3.055 20 0 EGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000775408439 1303959542 /nfs/dbraw/zinc/95/95/42/1303959542.db2.gz JXZCGFPAUYKRFF-VQIMIIECSA-N 2 2 330.472 3.485 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000775620618 1303996125 /nfs/dbraw/zinc/99/61/25/1303996125.db2.gz DLKWIIBAKLUHQI-BRWVUGGUSA-N 2 2 339.524 3.142 20 0 EGADLP c1ccc(N2CCC([NH2+]Cc3nc4c(s3)CCCC4)CC2)[nH+]c1 ZINC000776313961 1304132976 /nfs/dbraw/zinc/13/29/76/1304132976.db2.gz LLOKHGIZIFCQEL-UHFFFAOYSA-N 2 2 328.485 3.176 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000779018124 1304518442 /nfs/dbraw/zinc/51/84/42/1304518442.db2.gz YRQSUXPBMLQLHU-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000779018124 1304518449 /nfs/dbraw/zinc/51/84/49/1304518449.db2.gz YRQSUXPBMLQLHU-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000779020886 1304519483 /nfs/dbraw/zinc/51/94/83/1304519483.db2.gz VBIUYCUMYJJBTP-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3cccc4cccnc43)CC2)nc(C)[nH+]1 ZINC000782137803 1304919581 /nfs/dbraw/zinc/91/95/81/1304919581.db2.gz WAHIBEBZKARHIE-UHFFFAOYSA-N 2 2 347.466 3.218 20 0 EGADLP CC(C)[C@H](c1ccccc1)[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783989838 1305172240 /nfs/dbraw/zinc/17/22/40/1305172240.db2.gz UHBJXYPEMXYVAG-YLJYHZDGSA-N 2 2 340.471 3.023 20 0 EGADLP CC(C)[C@H](c1ccccc1)[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783989838 1305172241 /nfs/dbraw/zinc/17/22/41/1305172241.db2.gz UHBJXYPEMXYVAG-YLJYHZDGSA-N 2 2 340.471 3.023 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000892567869 1305444078 /nfs/dbraw/zinc/44/40/78/1305444078.db2.gz WZOKDRIONAFZAY-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788242281 1305903495 /nfs/dbraw/zinc/90/34/95/1305903495.db2.gz DMBMKXMQFYFPNJ-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788242281 1305903505 /nfs/dbraw/zinc/90/35/05/1305903505.db2.gz DMBMKXMQFYFPNJ-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)ccc1OC ZINC000788982269 1306057745 /nfs/dbraw/zinc/05/77/45/1306057745.db2.gz GOAKTBUYHKCPDX-CABCVRRESA-N 2 2 345.491 3.077 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4oc(=O)oc4c3)C2)CC1 ZINC000893977738 1306160215 /nfs/dbraw/zinc/16/02/15/1306160215.db2.gz HWGOXGQETLXPGU-KRWDZBQOSA-N 2 2 344.455 3.330 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4oc(=O)oc4c3)C2)CC1 ZINC000893977738 1306160220 /nfs/dbraw/zinc/16/02/20/1306160220.db2.gz HWGOXGQETLXPGU-KRWDZBQOSA-N 2 2 344.455 3.330 20 0 EGADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000894211202 1306279206 /nfs/dbraw/zinc/27/92/06/1306279206.db2.gz OMGSJZYHWIMHFU-UHFFFAOYSA-N 2 2 336.501 3.279 20 0 EGADLP Cn1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C(C)(C)C)n1 ZINC000896195620 1309738885 /nfs/dbraw/zinc/73/88/85/1309738885.db2.gz NAJDGIAPMQSRGW-UHFFFAOYSA-N 2 2 327.476 3.189 20 0 EGADLP Cc1ccc([C@H](O)[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000797059738 1310135084 /nfs/dbraw/zinc/13/50/84/1310135084.db2.gz KVEQGEWHCZQMDE-OXJNMPFZSA-N 2 2 325.456 3.071 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000897842065 1310488274 /nfs/dbraw/zinc/48/82/74/1310488274.db2.gz UGVQKLCQGPKTNI-RDTXWAMCSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000897842065 1310488281 /nfs/dbraw/zinc/48/82/81/1310488281.db2.gz UGVQKLCQGPKTNI-RDTXWAMCSA-N 2 2 329.444 3.170 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccco1 ZINC000899076099 1310927228 /nfs/dbraw/zinc/92/72/28/1310927228.db2.gz JSQBREDJPDSYTL-WBMJQRKESA-N 2 2 326.400 3.015 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000902481788 1317582648 /nfs/dbraw/zinc/58/26/48/1317582648.db2.gz HASTWPXDLMWUTC-NVXWUHKLSA-N 2 2 331.460 3.216 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC000902738204 1317610260 /nfs/dbraw/zinc/61/02/60/1317610260.db2.gz CKKLQMZMKBOSKT-KDOFPFPSSA-N 2 2 333.439 3.179 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296599 1317632679 /nfs/dbraw/zinc/63/26/79/1317632679.db2.gz XCSTUWNMDKUTDJ-XIRDDKMYSA-N 2 2 348.450 3.483 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cn(C)cn2)C1 ZINC000808379049 1317668735 /nfs/dbraw/zinc/66/87/35/1317668735.db2.gz DZLVNEYSINFEFS-IAGOWNOFSA-N 2 2 326.488 3.188 20 0 EGADLP CC[N@@H+](Cc1cncc(OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000808733099 1317726127 /nfs/dbraw/zinc/72/61/27/1317726127.db2.gz NTNUJOOBCIHBLF-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@H+](Cc1cncc(OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000808733099 1317726134 /nfs/dbraw/zinc/72/61/34/1317726134.db2.gz NTNUJOOBCIHBLF-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cncc(OC)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000808733099 1317726142 /nfs/dbraw/zinc/72/61/42/1317726142.db2.gz NTNUJOOBCIHBLF-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](Cc1cncc(OC)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000808733099 1317726151 /nfs/dbraw/zinc/72/61/51/1317726151.db2.gz NTNUJOOBCIHBLF-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765444 1317731198 /nfs/dbraw/zinc/73/11/98/1317731198.db2.gz HIKLDJKMEUXAJO-CXAGYDPISA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765444 1317731206 /nfs/dbraw/zinc/73/12/06/1317731206.db2.gz HIKLDJKMEUXAJO-CXAGYDPISA-N 2 2 341.282 3.120 20 0 EGADLP [NH3+][C@H]1C[C@@H](CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000904368819 1317838038 /nfs/dbraw/zinc/83/80/38/1317838038.db2.gz VUIJUNJWGNRKKW-RVWIWJKTSA-N 2 2 335.495 3.131 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC001021130412 1318107812 /nfs/dbraw/zinc/10/78/12/1318107812.db2.gz UYMFBAGWIXNXJX-KBAYOESNSA-N 2 2 348.450 3.034 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001021298982 1318176243 /nfs/dbraw/zinc/17/62/43/1318176243.db2.gz CLAXOJNLGVARLJ-YDWQZBSLSA-N 2 2 344.846 3.041 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001021298982 1318176248 /nfs/dbraw/zinc/17/62/48/1318176248.db2.gz CLAXOJNLGVARLJ-YDWQZBSLSA-N 2 2 344.846 3.041 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001021394584 1318230705 /nfs/dbraw/zinc/23/07/05/1318230705.db2.gz NQFTUHRTJGINSL-JLYLLQBASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001021394584 1318230711 /nfs/dbraw/zinc/23/07/11/1318230711.db2.gz NQFTUHRTJGINSL-JLYLLQBASA-N 2 2 344.503 3.034 20 0 EGADLP C[NH+](C)CCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816466 1318264404 /nfs/dbraw/zinc/26/44/04/1318264404.db2.gz UDNGQGMPTUSMBZ-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP C[NH+](C)CCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816466 1318264413 /nfs/dbraw/zinc/26/44/13/1318264413.db2.gz UDNGQGMPTUSMBZ-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960082133 1318343879 /nfs/dbraw/zinc/34/38/79/1318343879.db2.gz OXXJTWPWSUEHBL-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633717 1318488509 /nfs/dbraw/zinc/48/85/09/1318488509.db2.gz SNJCFILZTHXZTD-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633717 1318488514 /nfs/dbraw/zinc/48/85/14/1318488514.db2.gz SNJCFILZTHXZTD-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633721 1318488775 /nfs/dbraw/zinc/48/87/75/1318488775.db2.gz SNJCFILZTHXZTD-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633721 1318488778 /nfs/dbraw/zinc/48/87/78/1318488778.db2.gz SNJCFILZTHXZTD-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000858490749 1328777415 /nfs/dbraw/zinc/77/74/15/1328777415.db2.gz NITZKRGUVJYOPM-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000858490749 1328777420 /nfs/dbraw/zinc/77/74/20/1328777420.db2.gz NITZKRGUVJYOPM-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815128287 1318904251 /nfs/dbraw/zinc/90/42/51/1318904251.db2.gz UYIAXVBWCALVQK-ZFWWWQNUSA-N 2 2 337.305 3.380 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815128287 1318904260 /nfs/dbraw/zinc/90/42/60/1318904260.db2.gz UYIAXVBWCALVQK-ZFWWWQNUSA-N 2 2 337.305 3.380 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)c(C)[nH+]1 ZINC001022462009 1318951095 /nfs/dbraw/zinc/95/10/95/1318951095.db2.gz IRUXUPQAQVLXBL-HDICACEKSA-N 2 2 329.488 3.438 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1ccc2ccccc2c1 ZINC001022775026 1319099755 /nfs/dbraw/zinc/09/97/55/1319099755.db2.gz GVUGKKLRPPHTQO-ZMYBRWDISA-N 2 2 348.450 3.103 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC000961034920 1319159238 /nfs/dbraw/zinc/15/92/38/1319159238.db2.gz ALRCASUABDFYBZ-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC000961034920 1319159239 /nfs/dbraw/zinc/15/92/39/1319159239.db2.gz ALRCASUABDFYBZ-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557916 1319183244 /nfs/dbraw/zinc/18/32/44/1319183244.db2.gz GQNFNDGQDLOPQA-NVXWUHKLSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557916 1319183248 /nfs/dbraw/zinc/18/32/48/1319183248.db2.gz GQNFNDGQDLOPQA-NVXWUHKLSA-N 2 2 339.524 3.094 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817954621 1319474739 /nfs/dbraw/zinc/47/47/39/1319474739.db2.gz FDNFZPJUSAJKCV-RCCFBDPRSA-N 2 2 347.503 3.454 20 0 EGADLP NC(=[NH+]OCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCOC1 ZINC000818090213 1319499417 /nfs/dbraw/zinc/49/94/17/1319499417.db2.gz APJLIJHHIVZZHQ-SFHVURJKSA-N 2 2 331.460 3.098 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586038 1319707823 /nfs/dbraw/zinc/70/78/23/1319707823.db2.gz SEDDTEUJVARADS-SJORKVTESA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586038 1319707834 /nfs/dbraw/zinc/70/78/34/1319707834.db2.gz SEDDTEUJVARADS-SJORKVTESA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966680 1320219039 /nfs/dbraw/zinc/21/90/39/1320219039.db2.gz ZOUPRWKTIQBTSM-LPHOPBHVSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966680 1320219042 /nfs/dbraw/zinc/21/90/42/1320219042.db2.gz ZOUPRWKTIQBTSM-LPHOPBHVSA-N 2 2 338.499 3.440 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000839005789 1320849098 /nfs/dbraw/zinc/84/90/98/1320849098.db2.gz AIAFFCIMONUNBG-OAQYLSRUSA-N 2 2 335.451 3.198 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000839005789 1320849107 /nfs/dbraw/zinc/84/91/07/1320849107.db2.gz AIAFFCIMONUNBG-OAQYLSRUSA-N 2 2 335.451 3.198 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000841037914 1321206664 /nfs/dbraw/zinc/20/66/64/1321206664.db2.gz RLHZRPPBMINAER-OWCLPIDISA-N 2 2 340.414 3.033 20 0 EGADLP C[NH2+]CCC[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000841043196 1321208738 /nfs/dbraw/zinc/20/87/38/1321208738.db2.gz UFASYKWDAJQWHU-UHFFFAOYSA-N 2 2 327.259 3.187 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673978 1321416584 /nfs/dbraw/zinc/41/65/84/1321416584.db2.gz SKBICFSEUCCAOW-LLVKDONJSA-N 2 2 346.700 3.317 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673978 1321416587 /nfs/dbraw/zinc/41/65/87/1321416587.db2.gz SKBICFSEUCCAOW-LLVKDONJSA-N 2 2 346.700 3.317 20 0 EGADLP CC[C@@H](C)C[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842755581 1321428030 /nfs/dbraw/zinc/42/80/30/1321428030.db2.gz HDNIXGUBDAIWQR-SJLPKXTDSA-N 2 2 333.520 3.108 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843056866 1321463129 /nfs/dbraw/zinc/46/31/29/1321463129.db2.gz BFTUHERVTJRRTE-PBHICJAKSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843056866 1321463132 /nfs/dbraw/zinc/46/31/32/1321463132.db2.gz BFTUHERVTJRRTE-PBHICJAKSA-N 2 2 346.906 3.371 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355228 1321504927 /nfs/dbraw/zinc/50/49/27/1321504927.db2.gz XCGNDDCPJHQPAP-HNAYVOBHSA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355228 1321504931 /nfs/dbraw/zinc/50/49/31/1321504931.db2.gz XCGNDDCPJHQPAP-HNAYVOBHSA-N 2 2 327.472 3.472 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH2+][C@](C)(C[NH3+])C3CC3)c2cc1C(C)C ZINC000843356388 1321505437 /nfs/dbraw/zinc/50/54/37/1321505437.db2.gz VZUOQHKHNYNAMG-HXUWFJFHSA-N 2 2 328.456 3.442 20 0 EGADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808808 1321810611 /nfs/dbraw/zinc/81/06/11/1321810611.db2.gz JPYCZVRCMZURAG-INIZCTEOSA-N 2 2 337.305 3.368 20 0 EGADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808808 1321810615 /nfs/dbraw/zinc/81/06/15/1321810615.db2.gz JPYCZVRCMZURAG-INIZCTEOSA-N 2 2 337.305 3.368 20 0 EGADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808808 1321810618 /nfs/dbraw/zinc/81/06/18/1321810618.db2.gz JPYCZVRCMZURAG-INIZCTEOSA-N 2 2 337.305 3.368 20 0 EGADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(Br)CC1 ZINC000846808808 1321810624 /nfs/dbraw/zinc/81/06/24/1321810624.db2.gz JPYCZVRCMZURAG-INIZCTEOSA-N 2 2 337.305 3.368 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC000848927729 1322047798 /nfs/dbraw/zinc/04/77/98/1322047798.db2.gz MBQKAWQRVRKHGC-ROUUACIJSA-N 2 2 330.472 3.438 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC000848927729 1322047801 /nfs/dbraw/zinc/04/78/01/1322047801.db2.gz MBQKAWQRVRKHGC-ROUUACIJSA-N 2 2 330.472 3.438 20 0 EGADLP [NH2+]=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NCC1CCC1 ZINC000849054097 1322059559 /nfs/dbraw/zinc/05/95/59/1322059559.db2.gz FBFIFHKJEVONJD-QGZVFWFLSA-N 2 2 334.895 3.391 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccco1 ZINC000849051798 1322059713 /nfs/dbraw/zinc/05/97/13/1322059713.db2.gz XAQUQRGAAIFOMD-GOEBONIOSA-N 2 2 344.459 3.032 20 0 EGADLP [NH2+]=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCCCC1 ZINC000849055389 1322060808 /nfs/dbraw/zinc/06/08/08/1322060808.db2.gz VFFQMQILNPAMOK-QGZVFWFLSA-N 2 2 334.895 3.487 20 0 EGADLP CC(C)CCNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000849088899 1322074007 /nfs/dbraw/zinc/07/40/07/1322074007.db2.gz WVKLYBIPCOEPRO-OAHLLOKOSA-N 2 2 344.425 3.468 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000850060781 1322189350 /nfs/dbraw/zinc/18/93/50/1322189350.db2.gz UGBUVIUEVQTQIE-RTBURBONSA-N 2 2 343.471 3.255 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850556370 1322265714 /nfs/dbraw/zinc/26/57/14/1322265714.db2.gz GXICLUSVHDVDHH-WOJBJXKFSA-N 2 2 344.499 3.306 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1Cl ZINC000921670225 1322375989 /nfs/dbraw/zinc/37/59/89/1322375989.db2.gz DMICYZNWDOSQNR-KRWDZBQOSA-N 2 2 346.906 3.036 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1Cl ZINC000921670225 1322375992 /nfs/dbraw/zinc/37/59/92/1322375992.db2.gz DMICYZNWDOSQNR-KRWDZBQOSA-N 2 2 346.906 3.036 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921921253 1322423858 /nfs/dbraw/zinc/42/38/58/1322423858.db2.gz VKHKDCXYIFEUDV-MRXNPFEDSA-N 2 2 339.487 3.318 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000922479564 1322537781 /nfs/dbraw/zinc/53/77/81/1322537781.db2.gz OVBGPSZRTGKJTL-LFIBNONCSA-N 2 2 325.456 3.487 20 0 EGADLP Fc1cc(F)cc([C@H]2COCC[N@@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923389316 1322744126 /nfs/dbraw/zinc/74/41/26/1322744126.db2.gz OAZFRTWLVLGKAJ-BPMXQQMMSA-N 2 2 336.426 3.259 20 0 EGADLP Fc1cc(F)cc([C@H]2COCC[N@H+]2CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923389316 1322744127 /nfs/dbraw/zinc/74/41/27/1322744127.db2.gz OAZFRTWLVLGKAJ-BPMXQQMMSA-N 2 2 336.426 3.259 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC000923489743 1322760381 /nfs/dbraw/zinc/76/03/81/1322760381.db2.gz KLVYNLSYRIPSDK-VHSXEESVSA-N 2 2 333.220 3.144 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC000923489743 1322760385 /nfs/dbraw/zinc/76/03/85/1322760385.db2.gz KLVYNLSYRIPSDK-VHSXEESVSA-N 2 2 333.220 3.144 20 0 EGADLP c1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(N2CCCCC2)n1 ZINC000924698750 1323118774 /nfs/dbraw/zinc/11/87/74/1323118774.db2.gz AFWXSTPMDUUBIQ-MOPGFXCFSA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc(N2CCCCC2)n1 ZINC000924698750 1323118779 /nfs/dbraw/zinc/11/87/79/1323118779.db2.gz AFWXSTPMDUUBIQ-MOPGFXCFSA-N 2 2 328.504 3.178 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924731673 1323137458 /nfs/dbraw/zinc/13/74/58/1323137458.db2.gz ZEKJHBGJSOOHTJ-OALUTQOASA-N 2 2 344.503 3.323 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924731673 1323137471 /nfs/dbraw/zinc/13/74/71/1323137471.db2.gz ZEKJHBGJSOOHTJ-OALUTQOASA-N 2 2 344.503 3.323 20 0 EGADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000924733167 1323138484 /nfs/dbraw/zinc/13/84/84/1323138484.db2.gz DMSQKZDJHBCDBQ-MISYRCLQSA-N 2 2 343.515 3.106 20 0 EGADLP C[C@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000852116391 1323150737 /nfs/dbraw/zinc/15/07/37/1323150737.db2.gz OZNTVOLWCDSKFP-MRXNPFEDSA-N 2 2 347.503 3.154 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ncnn21 ZINC000924865309 1323192467 /nfs/dbraw/zinc/19/24/67/1323192467.db2.gz FHWYJWBTZJNNCI-LPHOPBHVSA-N 2 2 339.487 3.450 20 0 EGADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000931223971 1329074816 /nfs/dbraw/zinc/07/48/16/1329074816.db2.gz XPXLXQQKHPTAKO-UHFFFAOYSA-N 2 2 337.427 3.060 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cnn(C)n1 ZINC000925048811 1323256350 /nfs/dbraw/zinc/25/63/50/1323256350.db2.gz FYQGPINUPASQGT-INIZCTEOSA-N 2 2 327.476 3.042 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[NH+]2CCCC2)o1 ZINC000931471782 1329125704 /nfs/dbraw/zinc/12/57/04/1329125704.db2.gz PIPCXINPWVOECP-QGZVFWFLSA-N 2 2 338.411 3.031 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)on1 ZINC000925133803 1325059124 /nfs/dbraw/zinc/05/91/24/1325059124.db2.gz DSLKWEPIYMKECB-OGHNNQOOSA-N 2 2 335.473 3.478 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)on1 ZINC000925133803 1325059132 /nfs/dbraw/zinc/05/91/32/1325059132.db2.gz DSLKWEPIYMKECB-OGHNNQOOSA-N 2 2 335.473 3.478 20 0 EGADLP Cc1cc([C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)ccc1F ZINC000925796310 1325306690 /nfs/dbraw/zinc/30/66/90/1325306690.db2.gz LTDDRQAQTQQVPG-MJGOQNOKSA-N 2 2 332.463 3.334 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925798984 1325306761 /nfs/dbraw/zinc/30/67/61/1325306761.db2.gz XOIGCICCYWXPJO-AEFFLSMTSA-N 2 2 332.488 3.285 20 0 EGADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](CCC(C)C)CC1)n2C ZINC000926200616 1325466307 /nfs/dbraw/zinc/46/63/07/1325466307.db2.gz IHFAOGZKGGHBIY-UHFFFAOYSA-N 2 2 344.503 3.182 20 0 EGADLP CC1(c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)OCCO1 ZINC000926780010 1327713537 /nfs/dbraw/zinc/71/35/37/1327713537.db2.gz XVAGNZUHWKPTQS-RBUKOAKNSA-N 2 2 330.472 3.013 20 0 EGADLP CC1(c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)OCCO1 ZINC000926780010 1327713544 /nfs/dbraw/zinc/71/35/44/1327713544.db2.gz XVAGNZUHWKPTQS-RBUKOAKNSA-N 2 2 330.472 3.013 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927107079 1327867135 /nfs/dbraw/zinc/86/71/35/1327867135.db2.gz BMWUZNCGYNYWJQ-APWZRJJASA-N 2 2 338.499 3.298 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927107079 1327867141 /nfs/dbraw/zinc/86/71/41/1327867141.db2.gz BMWUZNCGYNYWJQ-APWZRJJASA-N 2 2 338.499 3.298 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595045 1327940493 /nfs/dbraw/zinc/94/04/93/1327940493.db2.gz UAWRQTKOEKUYLB-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595045 1327940508 /nfs/dbraw/zinc/94/05/08/1327940508.db2.gz UAWRQTKOEKUYLB-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597058 1327947428 /nfs/dbraw/zinc/94/74/28/1327947428.db2.gz DLBUNBZDBWOPQA-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597058 1327947434 /nfs/dbraw/zinc/94/74/34/1327947434.db2.gz DLBUNBZDBWOPQA-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP c1ccc(CNc2cc(N3CC[C@H]([NH+]4CCCCC4)C3)nc[nH+]2)cc1 ZINC000865526059 1329709124 /nfs/dbraw/zinc/70/91/24/1329709124.db2.gz KFFHBICZFUBJPG-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181652 1329952861 /nfs/dbraw/zinc/95/28/61/1329952861.db2.gz HIFQYEVNHWCUMG-MAUKXSAKSA-N 2 2 348.450 3.203 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181652 1329952863 /nfs/dbraw/zinc/95/28/63/1329952863.db2.gz HIFQYEVNHWCUMG-MAUKXSAKSA-N 2 2 348.450 3.203 20 0 EGADLP O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000934296878 1329963430 /nfs/dbraw/zinc/96/34/30/1329963430.db2.gz SMFZFDVYPPFCFR-UHFFFAOYSA-N 2 2 326.444 3.090 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)co1 ZINC000866666521 1330139821 /nfs/dbraw/zinc/13/98/21/1330139821.db2.gz RCHLGQLIXDXJKU-YJBOKZPZSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)co1 ZINC000866666521 1330139822 /nfs/dbraw/zinc/13/98/22/1330139822.db2.gz RCHLGQLIXDXJKU-YJBOKZPZSA-N 2 2 341.455 3.314 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCC1CCCCCC1 ZINC000948090754 1333372203 /nfs/dbraw/zinc/37/22/03/1333372203.db2.gz NTKPLURSNTYPHC-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCC1CCCCCC1 ZINC000948090754 1333372206 /nfs/dbraw/zinc/37/22/06/1333372206.db2.gz NTKPLURSNTYPHC-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948554644 1333573549 /nfs/dbraw/zinc/57/35/49/1333573549.db2.gz YGRBRUMOJBRYBU-MIOHMZDASA-N 2 2 346.862 3.242 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948554644 1333573552 /nfs/dbraw/zinc/57/35/52/1333573552.db2.gz YGRBRUMOJBRYBU-MIOHMZDASA-N 2 2 346.862 3.242 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616590 1333598054 /nfs/dbraw/zinc/59/80/54/1333598054.db2.gz JMNOLOKBJTUJJZ-IAGOWNOFSA-N 2 2 342.487 3.307 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616590 1333598059 /nfs/dbraw/zinc/59/80/59/1333598059.db2.gz JMNOLOKBJTUJJZ-IAGOWNOFSA-N 2 2 342.487 3.307 20 0 EGADLP C[C@@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616315 1333598202 /nfs/dbraw/zinc/59/82/02/1333598202.db2.gz HPYHPTGERKAYCI-CVEARBPZSA-N 2 2 346.450 3.009 20 0 EGADLP C[C@@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616315 1333598204 /nfs/dbraw/zinc/59/82/04/1333598204.db2.gz HPYHPTGERKAYCI-CVEARBPZSA-N 2 2 346.450 3.009 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617348 1333598913 /nfs/dbraw/zinc/59/89/13/1333598913.db2.gz PIKBFDOWQIILHX-MRXNPFEDSA-N 2 2 328.460 3.061 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617348 1333598914 /nfs/dbraw/zinc/59/89/14/1333598914.db2.gz PIKBFDOWQIILHX-MRXNPFEDSA-N 2 2 328.460 3.061 20 0 EGADLP CC1CCC(C[N@H+]2CCC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000948812000 1333692712 /nfs/dbraw/zinc/69/27/12/1333692712.db2.gz DAJGVSCHVDTQQE-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950787099 1334129155 /nfs/dbraw/zinc/12/91/55/1334129155.db2.gz HROPNZFFKPMSAG-MRXNPFEDSA-N 2 2 348.450 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1C ZINC000968596265 1335977771 /nfs/dbraw/zinc/97/77/71/1335977771.db2.gz ILQULJMIXOIWQL-BEFAXECRSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1C ZINC000968596265 1335977776 /nfs/dbraw/zinc/97/77/76/1335977776.db2.gz ILQULJMIXOIWQL-BEFAXECRSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969317758 1336199722 /nfs/dbraw/zinc/19/97/22/1336199722.db2.gz HYHYSTJNCSYLKM-IAGOWNOFSA-N 2 2 348.450 3.208 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000970150586 1336284698 /nfs/dbraw/zinc/28/46/98/1336284698.db2.gz MBPWSGDLFOANAV-JKSUJKDBSA-N 2 2 348.450 3.146 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001006291654 1336484168 /nfs/dbraw/zinc/48/41/68/1336484168.db2.gz GUGWORDKBKZFQY-UHFFFAOYSA-N 2 2 344.503 3.111 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1O ZINC001205915275 1370909545 /nfs/dbraw/zinc/90/95/45/1370909545.db2.gz PASQZNDSGUXXFF-RYUDHWBXSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1O ZINC001205915275 1370909546 /nfs/dbraw/zinc/90/95/46/1370909546.db2.gz PASQZNDSGUXXFF-RYUDHWBXSA-N 2 2 327.266 3.022 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517320 1337033242 /nfs/dbraw/zinc/03/32/42/1337033242.db2.gz BLUDAQFOFNMWQJ-HOTGVXAUSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517320 1337033243 /nfs/dbraw/zinc/03/32/43/1337033243.db2.gz BLUDAQFOFNMWQJ-HOTGVXAUSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)cc(Br)c2)C1 ZINC001206563873 1371095897 /nfs/dbraw/zinc/09/58/97/1371095897.db2.gz JJSMUBQGPWWQPD-OAHLLOKOSA-N 2 2 327.266 3.106 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)cc(Br)c2)C1 ZINC001206563873 1371095900 /nfs/dbraw/zinc/09/59/00/1371095900.db2.gz JJSMUBQGPWWQPD-OAHLLOKOSA-N 2 2 327.266 3.106 20 0 EGADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938774 1337959981 /nfs/dbraw/zinc/95/99/81/1337959981.db2.gz WJNFSRKVYLZKTC-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C)cc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938774 1337959984 /nfs/dbraw/zinc/95/99/84/1337959984.db2.gz WJNFSRKVYLZKTC-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014942771 1337961595 /nfs/dbraw/zinc/96/15/95/1337961595.db2.gz VTBPXISOSQDUSH-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014942771 1337961596 /nfs/dbraw/zinc/96/15/96/1337961596.db2.gz VTBPXISOSQDUSH-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025659 1341160571 /nfs/dbraw/zinc/16/05/71/1341160571.db2.gz IYHZWGHBJZVBJY-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025659 1341160572 /nfs/dbraw/zinc/16/05/72/1341160572.db2.gz IYHZWGHBJZVBJY-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025659 1341160573 /nfs/dbraw/zinc/16/05/73/1341160573.db2.gz IYHZWGHBJZVBJY-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025659 1341160574 /nfs/dbraw/zinc/16/05/74/1341160574.db2.gz IYHZWGHBJZVBJY-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001030590063 1341199525 /nfs/dbraw/zinc/19/95/25/1341199525.db2.gz FFHWUCACBKFPTE-FQEVSTJZSA-N 2 2 348.450 3.208 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034326794 1342401639 /nfs/dbraw/zinc/40/16/39/1342401639.db2.gz AJBMQCKWUNDRBX-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034326794 1342401642 /nfs/dbraw/zinc/40/16/42/1342401642.db2.gz AJBMQCKWUNDRBX-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CCC2CCCCC2)C1 ZINC001034503560 1342561865 /nfs/dbraw/zinc/56/18/65/1342561865.db2.gz PEMGHKWHKJJGNQ-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CCC2CCCCC2)C1 ZINC001034503560 1342561868 /nfs/dbraw/zinc/56/18/68/1342561868.db2.gz PEMGHKWHKJJGNQ-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)c(C)[nH+]1 ZINC001034693777 1342696259 /nfs/dbraw/zinc/69/62/59/1342696259.db2.gz HCNCKDUPKSPWSZ-IYARVYRRSA-N 2 2 329.488 3.438 20 0 EGADLP CC1(C)CCC(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001034743857 1342732115 /nfs/dbraw/zinc/73/21/15/1342732115.db2.gz DGGWFKJHFGXVGW-QAQDUYKDSA-N 2 2 346.519 3.186 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001034746094 1342734201 /nfs/dbraw/zinc/73/42/01/1342734201.db2.gz RFOKETPOUFSGIM-LNLFQRSKSA-N 2 2 340.471 3.121 20 0 EGADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036261729 1343383853 /nfs/dbraw/zinc/38/38/53/1343383853.db2.gz DRGHDUYWKWRJRL-DOTOQJQBSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001036566839 1343557537 /nfs/dbraw/zinc/55/75/37/1343557537.db2.gz YIAILEPLYRLXFB-APWZRJJASA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001036566842 1343557589 /nfs/dbraw/zinc/55/75/89/1343557589.db2.gz YIAILEPLYRLXFB-VQIMIIECSA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001037941222 1344193593 /nfs/dbraw/zinc/19/35/93/1344193593.db2.gz CZRAKCLOFMPFCV-ROUUACIJSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001038783867 1344582334 /nfs/dbraw/zinc/58/23/34/1344582334.db2.gz ZJTVZQPPNJUQRG-MSOLQXFVSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001038783867 1344582337 /nfs/dbraw/zinc/58/23/37/1344582337.db2.gz ZJTVZQPPNJUQRG-MSOLQXFVSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783867 1344582341 /nfs/dbraw/zinc/58/23/41/1344582341.db2.gz ZJTVZQPPNJUQRG-MSOLQXFVSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783867 1344582345 /nfs/dbraw/zinc/58/23/45/1344582345.db2.gz ZJTVZQPPNJUQRG-MSOLQXFVSA-N 2 2 349.544 3.010 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214968 1344931057 /nfs/dbraw/zinc/93/10/57/1344931057.db2.gz ICRZICPOXPFJCJ-IAGOWNOFSA-N 2 2 340.471 3.059 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214968 1344931059 /nfs/dbraw/zinc/93/10/59/1344931059.db2.gz ICRZICPOXPFJCJ-IAGOWNOFSA-N 2 2 340.471 3.059 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646891 1346391808 /nfs/dbraw/zinc/39/18/08/1346391808.db2.gz FVJKBPIGFFKFPP-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692689 1346405018 /nfs/dbraw/zinc/40/50/18/1346405018.db2.gz IPWWEXZAIOCMMI-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953377 1346788782 /nfs/dbraw/zinc/78/87/82/1346788782.db2.gz YABAAUCKJZTQEU-HXUWFJFHSA-N 2 2 340.471 3.063 20 0 EGADLP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953377 1346788785 /nfs/dbraw/zinc/78/87/85/1346788785.db2.gz YABAAUCKJZTQEU-HXUWFJFHSA-N 2 2 340.471 3.063 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513482 1347000704 /nfs/dbraw/zinc/00/07/04/1347000704.db2.gz XAVFYEOBWKLBCR-OXJNMPFZSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513482 1347000706 /nfs/dbraw/zinc/00/07/06/1347000706.db2.gz XAVFYEOBWKLBCR-OXJNMPFZSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001047248461 1347273732 /nfs/dbraw/zinc/27/37/32/1347273732.db2.gz QOKQJNBIMMPHTI-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527452 1347893192 /nfs/dbraw/zinc/89/31/92/1347893192.db2.gz QIAVWEKVBPVAPL-PSBWJHGTSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527452 1347893195 /nfs/dbraw/zinc/89/31/95/1347893195.db2.gz QIAVWEKVBPVAPL-PSBWJHGTSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527452 1347893201 /nfs/dbraw/zinc/89/32/01/1347893201.db2.gz QIAVWEKVBPVAPL-PSBWJHGTSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527452 1347893207 /nfs/dbraw/zinc/89/32/07/1347893207.db2.gz QIAVWEKVBPVAPL-PSBWJHGTSA-N 2 2 344.503 3.015 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052378626 1348535535 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QGFZWJJKNJNDAA-IEBWSBKVSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@@H+]1CC1CCCC1 ZINC001071610565 1354794751 /nfs/dbraw/zinc/79/47/51/1354794751.db2.gz VFKNNMMGWLMAIH-WMLDXEAASA-N 2 2 340.471 3.336 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CC1CCCC1 ZINC001071610565 1354794753 /nfs/dbraw/zinc/79/47/53/1354794753.db2.gz VFKNNMMGWLMAIH-WMLDXEAASA-N 2 2 340.471 3.336 20 0 EGADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711634 1354870281 /nfs/dbraw/zinc/87/02/81/1354870281.db2.gz BDKODVILTZGUOQ-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711634 1354870286 /nfs/dbraw/zinc/87/02/86/1354870286.db2.gz BDKODVILTZGUOQ-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072029761 1355091118 /nfs/dbraw/zinc/09/11/18/1355091118.db2.gz JNTQPLLCUZPFFR-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 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1363774490 /nfs/dbraw/zinc/77/44/90/1363774490.db2.gz INUZBPSMWFJKLE-IPLHWJFFSA-N 2 2 346.519 3.236 20 0 EGADLP CCC(CC)C[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428897 1364110478 /nfs/dbraw/zinc/11/04/78/1364110478.db2.gz RDQCIDDZSKQLQH-CTWPCTMYSA-N 2 2 348.535 3.391 20 0 EGADLP CCCCCC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446272 1364117422 /nfs/dbraw/zinc/11/74/22/1364117422.db2.gz XRTJNULEWXOMQO-UHFFFAOYSA-N 2 2 328.460 3.241 20 0 EGADLP O=C(NCC1CC([NH2+]CCCC2CCC2)C1)c1cccc2[nH+]ccn21 ZINC001100500537 1364137056 /nfs/dbraw/zinc/13/70/56/1364137056.db2.gz QISZUOJQEOMDEJ-UHFFFAOYSA-N 2 2 340.471 3.013 20 0 EGADLP CCCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001101279164 1364496851 /nfs/dbraw/zinc/49/68/51/1364496851.db2.gz JGCSLYCTWSLQJX-UZLBHIALSA-N 2 2 340.471 3.147 20 0 EGADLP CCCCC[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001101279164 1364496852 /nfs/dbraw/zinc/49/68/52/1364496852.db2.gz JGCSLYCTWSLQJX-UZLBHIALSA-N 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CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073140 1364838278 /nfs/dbraw/zinc/83/82/78/1364838278.db2.gz JORYDIXOJWBQFT-GUDVDZBRSA-N 2 2 346.519 3.121 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083375 1364844698 /nfs/dbraw/zinc/84/46/98/1364844698.db2.gz NTPPVGYFHIPQFQ-CRAIPNDOSA-N 2 2 348.535 3.047 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083375 1364844703 /nfs/dbraw/zinc/84/47/03/1364844703.db2.gz NTPPVGYFHIPQFQ-CRAIPNDOSA-N 2 2 348.535 3.047 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083003 1364845136 /nfs/dbraw/zinc/84/51/36/1364845136.db2.gz AGZUQRWZJXRPHQ-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC001102083003 1364845138 /nfs/dbraw/zinc/84/51/38/1364845138.db2.gz AGZUQRWZJXRPHQ-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP 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ZINC001104912577 1366221213 /nfs/dbraw/zinc/22/12/13/1366221213.db2.gz VDPGWUOGESQZDT-HZPDHXFCSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788302 1387799327 /nfs/dbraw/zinc/79/93/27/1387799327.db2.gz MTEATADUIJENAF-OALUTQOASA-N 2 2 348.535 3.174 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655176 1366766475 /nfs/dbraw/zinc/76/64/75/1366766475.db2.gz FGMLHJUWEULUQO-ZACQAIPSSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874764 1366821270 /nfs/dbraw/zinc/82/12/70/1366821270.db2.gz SATLDZIBFXNWQU-NXVGNOFTSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+](CC2CCCCC2)C1 ZINC001324943466 1387838651 /nfs/dbraw/zinc/83/86/51/1387838651.db2.gz IKDHGEXEVOPJLC-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+](CC2CCCCC2)C1 ZINC001324943466 1387838654 /nfs/dbraw/zinc/83/86/54/1387838654.db2.gz IKDHGEXEVOPJLC-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+](CC2CCCCC2)C1 ZINC001324943466 1387838659 /nfs/dbraw/zinc/83/86/59/1387838659.db2.gz IKDHGEXEVOPJLC-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+](CC2CCCCC2)C1 ZINC001324943466 1387838664 /nfs/dbraw/zinc/83/86/64/1387838664.db2.gz IKDHGEXEVOPJLC-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386302 1366948576 /nfs/dbraw/zinc/94/85/76/1366948576.db2.gz MPNUNYGBFXHVKT-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107386302 1366948577 /nfs/dbraw/zinc/94/85/77/1366948577.db2.gz MPNUNYGBFXHVKT-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818879 1367359486 /nfs/dbraw/zinc/35/94/86/1367359486.db2.gz SZWDQVKEMSQCJF-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818879 1367359492 /nfs/dbraw/zinc/35/94/92/1367359492.db2.gz SZWDQVKEMSQCJF-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)c[nH+]1 ZINC001190898458 1367378847 /nfs/dbraw/zinc/37/88/47/1367378847.db2.gz BRAGCSFHHDLNFS-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)c[nH+]1 ZINC001190898458 1367378852 /nfs/dbraw/zinc/37/88/52/1367378852.db2.gz BRAGCSFHHDLNFS-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([N@H+](C)CCCCCF)C2)c(C)[nH+]1 ZINC001191451182 1367505699 /nfs/dbraw/zinc/50/56/99/1367505699.db2.gz YZXQPIYXIXAJHJ-QGZVFWFLSA-N 2 2 335.467 3.293 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)c(C)[nH+]1 ZINC001191451182 1367505706 /nfs/dbraw/zinc/50/57/06/1367505706.db2.gz YZXQPIYXIXAJHJ-QGZVFWFLSA-N 2 2 335.467 3.293 20 0 EGADLP CCCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193216790 1367968872 /nfs/dbraw/zinc/96/88/72/1367968872.db2.gz DOYIHKYWNWXZQR-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193216790 1367968878 /nfs/dbraw/zinc/96/88/78/1367968878.db2.gz DOYIHKYWNWXZQR-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001194115946 1368186251 /nfs/dbraw/zinc/18/62/51/1368186251.db2.gz IAWAIMKKJYSWMP-GOSISDBHSA-N 2 2 339.524 3.195 20 0 EGADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001194115946 1368186254 /nfs/dbraw/zinc/18/62/54/1368186254.db2.gz IAWAIMKKJYSWMP-GOSISDBHSA-N 2 2 339.524 3.195 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731146 1368432463 /nfs/dbraw/zinc/43/24/63/1368432463.db2.gz OEUATPDPRNTMTD-WUPMPMNESA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731146 1368432465 /nfs/dbraw/zinc/43/24/65/1368432465.db2.gz OEUATPDPRNTMTD-WUPMPMNESA-N 2 2 344.503 3.059 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885104 1368528631 /nfs/dbraw/zinc/52/86/31/1368528631.db2.gz ABAZXLGSDVIRIA-BJLQDIEVSA-N 2 2 346.519 3.385 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885104 1368528638 /nfs/dbraw/zinc/52/86/38/1368528638.db2.gz ABAZXLGSDVIRIA-BJLQDIEVSA-N 2 2 346.519 3.385 20 0 EGADLP CCC(CC)C[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243159 1368574081 /nfs/dbraw/zinc/57/40/81/1368574081.db2.gz WRWJASNZCOFLQH-IBGZPJMESA-N 2 2 348.535 3.441 20 0 EGADLP CCC(CC)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243159 1368574084 /nfs/dbraw/zinc/57/40/84/1368574084.db2.gz WRWJASNZCOFLQH-IBGZPJMESA-N 2 2 348.535 3.441 20 0 EGADLP CCCCC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243104 1368574859 /nfs/dbraw/zinc/57/48/59/1368574859.db2.gz TZLKJSLNTHCIRY-SFHVURJKSA-N 2 2 334.508 3.195 20 0 EGADLP CCCCC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243104 1368574861 /nfs/dbraw/zinc/57/48/61/1368574861.db2.gz TZLKJSLNTHCIRY-SFHVURJKSA-N 2 2 334.508 3.195 20 0 EGADLP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001112386846 1368815874 /nfs/dbraw/zinc/81/58/74/1368815874.db2.gz PSLYKBGZLWLZLX-PXNSSMCTSA-N 2 2 346.519 3.141 20 0 EGADLP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001112386846 1368815880 /nfs/dbraw/zinc/81/58/80/1368815880.db2.gz PSLYKBGZLWLZLX-PXNSSMCTSA-N 2 2 346.519 3.141 20 0 EGADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529188 1369480117 /nfs/dbraw/zinc/48/01/17/1369480117.db2.gz HVKLQMMIKBKVSM-ROUKRRSUSA-N 2 2 343.515 3.180 20 0 EGADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529188 1369480121 /nfs/dbraw/zinc/48/01/21/1369480121.db2.gz HVKLQMMIKBKVSM-ROUKRRSUSA-N 2 2 343.515 3.180 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001201182871 1369491660 /nfs/dbraw/zinc/49/16/60/1369491660.db2.gz OPOCPSFXZHGJNE-TVPLGVNVSA-N 2 2 346.519 3.097 20 0 EGADLP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC001325580864 1388006382 /nfs/dbraw/zinc/00/63/82/1388006382.db2.gz DOEXMQZHOOKAPM-VCSGRIEYSA-N 2 2 338.499 3.404 20 0 EGADLP Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1C ZINC001325580864 1388006388 /nfs/dbraw/zinc/00/63/88/1388006388.db2.gz DOEXMQZHOOKAPM-VCSGRIEYSA-N 2 2 338.499 3.404 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202694927 1369854319 /nfs/dbraw/zinc/85/43/19/1369854319.db2.gz WJXJKMYFTLEHJR-IAGOWNOFSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203033832 1369962055 /nfs/dbraw/zinc/96/20/55/1369962055.db2.gz FBFLGJMBIRSJOB-OAQYLSRUSA-N 2 2 328.500 3.251 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203033832 1369962058 /nfs/dbraw/zinc/96/20/58/1369962058.db2.gz FBFLGJMBIRSJOB-OAQYLSRUSA-N 2 2 328.500 3.251 20 0 EGADLP Cc1cncc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001203174806 1370009646 /nfs/dbraw/zinc/00/96/46/1370009646.db2.gz HBUOEYOYQKPEFR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1cncc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001203174806 1370009649 /nfs/dbraw/zinc/00/96/49/1370009649.db2.gz HBUOEYOYQKPEFR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1cncc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001203174806 1370009655 /nfs/dbraw/zinc/00/96/55/1370009655.db2.gz HBUOEYOYQKPEFR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1cncc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001203174806 1370009662 /nfs/dbraw/zinc/00/96/62/1370009662.db2.gz HBUOEYOYQKPEFR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)co1 ZINC001203306029 1370074058 /nfs/dbraw/zinc/07/40/58/1370074058.db2.gz BFJZTGCIKMUKSO-UHFFFAOYSA-N 2 2 326.440 3.147 20 0 EGADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)co1 ZINC001203306029 1370074062 /nfs/dbraw/zinc/07/40/62/1370074062.db2.gz BFJZTGCIKMUKSO-UHFFFAOYSA-N 2 2 326.440 3.147 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204045062 1370358556 /nfs/dbraw/zinc/35/85/56/1370358556.db2.gz PCSWFTQFCPAPOJ-ROUUACIJSA-N 2 2 332.451 3.127 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[NH+]2CC(Oc3ccccc3)C2)cc1 ZINC001204269230 1370428374 /nfs/dbraw/zinc/42/83/74/1370428374.db2.gz XUXXOYDEEQWLSO-UHFFFAOYSA-N 2 2 340.467 3.280 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510170 1370508456 /nfs/dbraw/zinc/50/84/56/1370508456.db2.gz NEZVDORWVXWYDV-ONEGZZNKSA-N 2 2 332.492 3.107 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115566878 1370567526 /nfs/dbraw/zinc/56/75/26/1370567526.db2.gz CNYSMFMUNRKPEU-ONEGZZNKSA-N 2 2 332.492 3.107 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115566878 1370567529 /nfs/dbraw/zinc/56/75/29/1370567529.db2.gz CNYSMFMUNRKPEU-ONEGZZNKSA-N 2 2 332.492 3.107 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204801256 1370579663 /nfs/dbraw/zinc/57/96/63/1370579663.db2.gz MALYPAZLHVOGAD-HXUWFJFHSA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204801256 1370579664 /nfs/dbraw/zinc/57/96/64/1370579664.db2.gz MALYPAZLHVOGAD-HXUWFJFHSA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204801255 1370579667 /nfs/dbraw/zinc/57/96/67/1370579667.db2.gz MALYPAZLHVOGAD-FQEVSTJZSA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204801255 1370579668 /nfs/dbraw/zinc/57/96/68/1370579668.db2.gz MALYPAZLHVOGAD-FQEVSTJZSA-N 2 2 325.456 3.386 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580731 1370583456 /nfs/dbraw/zinc/58/34/56/1370583456.db2.gz LPXGNKSUEGRHDY-IAGOWNOFSA-N 2 2 346.519 3.358 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580731 1370583458 /nfs/dbraw/zinc/58/34/58/1370583458.db2.gz LPXGNKSUEGRHDY-IAGOWNOFSA-N 2 2 346.519 3.358 20 0 EGADLP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001115595075 1370596669 /nfs/dbraw/zinc/59/66/69/1370596669.db2.gz MSOPVOPQCYTMHD-UHFFFAOYSA-N 2 2 340.471 3.385 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204885568 1370597021 /nfs/dbraw/zinc/59/70/21/1370597021.db2.gz XSTWOJMJEVTXMI-FQEVSTJZSA-N 2 2 338.451 3.453 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204885568 1370597022 /nfs/dbraw/zinc/59/70/22/1370597022.db2.gz XSTWOJMJEVTXMI-FQEVSTJZSA-N 2 2 338.451 3.453 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115603034 1370602259 /nfs/dbraw/zinc/60/22/59/1370602259.db2.gz JRMJHHLACAYLIP-KRWDZBQOSA-N 2 2 346.519 3.044 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC(=O)C(C)C ZINC001205008883 1370626748 /nfs/dbraw/zinc/62/67/48/1370626748.db2.gz GIFBDRUHVRYCKJ-QGZVFWFLSA-N 2 2 348.487 3.078 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC(=O)C(C)C ZINC001205008883 1370626752 /nfs/dbraw/zinc/62/67/52/1370626752.db2.gz GIFBDRUHVRYCKJ-QGZVFWFLSA-N 2 2 348.487 3.078 20 0 EGADLP CC(C)=CC[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205291323 1370708897 /nfs/dbraw/zinc/70/88/97/1370708897.db2.gz UEMYYIMWUYGGFV-UHFFFAOYSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[NH2+]CC[C@H]1C ZINC001205332023 1370723578 /nfs/dbraw/zinc/72/35/78/1370723578.db2.gz MDLYCUWBUGDMJE-MRXNPFEDSA-N 2 2 334.467 3.494 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC001205332023 1370723582 /nfs/dbraw/zinc/72/35/82/1370723582.db2.gz MDLYCUWBUGDMJE-MRXNPFEDSA-N 2 2 334.467 3.494 20 0 EGADLP CCCCC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500246 1370773243 /nfs/dbraw/zinc/77/32/43/1370773243.db2.gz MWILKMKJIFXYNP-IBGZPJMESA-N 2 2 348.535 3.489 20 0 EGADLP CC(C)(C)CC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679726 1370840451 /nfs/dbraw/zinc/84/04/51/1370840451.db2.gz NKTLYUZPWFAQDE-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916914 1370910275 /nfs/dbraw/zinc/91/02/75/1370910275.db2.gz WIUZGWVATWYCBZ-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916914 1370910280 /nfs/dbraw/zinc/91/02/80/1370910280.db2.gz WIUZGWVATWYCBZ-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP c1cn(-c2ccc(-c3noc(C4(CC5CC5)CC[NH2+]CC4)n3)cc2)c[nH+]1 ZINC001206316278 1371019168 /nfs/dbraw/zinc/01/91/68/1371019168.db2.gz VCIOVDXUZYPCJB-UHFFFAOYSA-N 2 2 349.438 3.344 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206550071 1371091311 /nfs/dbraw/zinc/09/13/11/1371091311.db2.gz UUMZEDSCERVAMB-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206550071 1371091315 /nfs/dbraw/zinc/09/13/15/1371091315.db2.gz UUMZEDSCERVAMB-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP CSc1ncc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(NC2CCCC2)n1 ZINC001206615969 1371110134 /nfs/dbraw/zinc/11/01/34/1371110134.db2.gz LBBQUBSFDKCZRL-CQSZACIVSA-N 2 2 349.548 3.114 20 0 EGADLP CSc1ncc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(NC2CCCC2)n1 ZINC001206615969 1371110137 /nfs/dbraw/zinc/11/01/37/1371110137.db2.gz LBBQUBSFDKCZRL-CQSZACIVSA-N 2 2 349.548 3.114 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872392 1371199235 /nfs/dbraw/zinc/19/92/35/1371199235.db2.gz BRORRJJDYOTOCP-SREVYHEPSA-N 2 2 346.519 3.262 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)sc2C1 ZINC001118629166 1371208456 /nfs/dbraw/zinc/20/84/56/1371208456.db2.gz CFYBEKXZNCSGJM-GDBMZVCRSA-N 2 2 333.545 3.480 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)sc2C1 ZINC001118629166 1371208463 /nfs/dbraw/zinc/20/84/63/1371208463.db2.gz CFYBEKXZNCSGJM-GDBMZVCRSA-N 2 2 333.545 3.480 20 0 EGADLP COc1cccc([C@H]([NH3+])C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC001119381036 1371326546 /nfs/dbraw/zinc/32/65/46/1371326546.db2.gz OSXDWNDITVYRIG-KRWDZBQOSA-N 2 2 347.846 3.049 20 0 EGADLP Cc1cc(N2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC001207275114 1371347415 /nfs/dbraw/zinc/34/74/15/1371347415.db2.gz KBOWIHSVZAIPSU-UHFFFAOYSA-N 3 2 340.515 3.253 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658961 1371466426 /nfs/dbraw/zinc/46/64/26/1371466426.db2.gz ATJMXOHJTHYYEJ-QRVBRYPASA-N 2 2 348.535 3.487 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658961 1371466429 /nfs/dbraw/zinc/46/64/29/1371466429.db2.gz ATJMXOHJTHYYEJ-QRVBRYPASA-N 2 2 348.535 3.487 20 0 EGADLP c1cn(Cc2noc3c2C[N@H+](CC2(c4ccccc4)CC2)CC3)c[nH+]1 ZINC001207834729 1371515502 /nfs/dbraw/zinc/51/55/02/1371515502.db2.gz YIYVOFFTLBFREZ-UHFFFAOYSA-N 2 2 334.423 3.009 20 0 EGADLP c1cn(Cc2noc3c2C[N@@H+](CC2(c4ccccc4)CC2)CC3)c[nH+]1 ZINC001207834729 1371515506 /nfs/dbraw/zinc/51/55/06/1371515506.db2.gz YIYVOFFTLBFREZ-UHFFFAOYSA-N 2 2 334.423 3.009 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439170 1371577378 /nfs/dbraw/zinc/57/73/78/1371577378.db2.gz FCJYSZIKOYLJCZ-JWRSSPFQSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439170 1371577379 /nfs/dbraw/zinc/57/73/79/1371577379.db2.gz FCJYSZIKOYLJCZ-JWRSSPFQSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)CC[NH2+]C1CC2(CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001121396003 1371961852 /nfs/dbraw/zinc/96/18/52/1371961852.db2.gz USTZVAHCQJABRA-UHFFFAOYSA-N 2 2 340.471 3.011 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CCOc2ccccc2)C3)c1 ZINC001209302216 1372064093 /nfs/dbraw/zinc/06/40/93/1372064093.db2.gz IHJBJOBYEDLLTN-HDICACEKSA-N 2 2 326.440 3.112 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CCOc2ccccc2)C3)c1 ZINC001209302216 1372064094 /nfs/dbraw/zinc/06/40/94/1372064094.db2.gz IHJBJOBYEDLLTN-HDICACEKSA-N 2 2 326.440 3.112 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CCOc4ccccc4)C3)C2)c1 ZINC001209302216 1372064098 /nfs/dbraw/zinc/06/40/98/1372064098.db2.gz IHJBJOBYEDLLTN-HDICACEKSA-N 2 2 326.440 3.112 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CCOc4ccccc4)C3)C2)c1 ZINC001209302216 1372064101 /nfs/dbraw/zinc/06/41/01/1372064101.db2.gz IHJBJOBYEDLLTN-HDICACEKSA-N 2 2 326.440 3.112 20 0 EGADLP CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)CCn1cc[nH+]c1 ZINC001209358507 1372076710 /nfs/dbraw/zinc/07/67/10/1372076710.db2.gz APXOOVKMIJTMKM-UHFFFAOYSA-N 2 2 338.496 3.290 20 0 EGADLP CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CCn1cc[nH+]c1 ZINC001209358507 1372076712 /nfs/dbraw/zinc/07/67/12/1372076712.db2.gz APXOOVKMIJTMKM-UHFFFAOYSA-N 2 2 338.496 3.290 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209447745 1372108386 /nfs/dbraw/zinc/10/83/86/1372108386.db2.gz FTSCUYVWDRKDTF-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209447745 1372108390 /nfs/dbraw/zinc/10/83/90/1372108390.db2.gz FTSCUYVWDRKDTF-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP CC[C@H](C[NH+]1CCC([NH+](CC)CC)CC1)NC(=O)OC(C)(C)C ZINC001209458883 1372111042 /nfs/dbraw/zinc/11/10/42/1372111042.db2.gz QCVHKEJKBPBZBH-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001209494773 1372120990 /nfs/dbraw/zinc/12/09/90/1372120990.db2.gz KAEDWEZCBDASER-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP Cn1nc2ccccc2c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209541861 1372132910 /nfs/dbraw/zinc/13/29/10/1372132910.db2.gz SQQKRSYCPHDMMX-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1nc2ccccc2c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209541861 1372132912 /nfs/dbraw/zinc/13/29/12/1372132912.db2.gz SQQKRSYCPHDMMX-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC001209695496 1372173046 /nfs/dbraw/zinc/17/30/46/1372173046.db2.gz IRQUWOIIBPSUFE-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP Nc1cc[nH+]cc1C[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001209733935 1372179196 /nfs/dbraw/zinc/17/91/96/1372179196.db2.gz IPNPRCJGKATCRT-UHFFFAOYSA-N 2 2 335.810 3.330 20 0 EGADLP OCC[NH+]1CCN(c2ccc(Nc3ccc4c[nH+]ccc4c3)cc2)CC1 ZINC001210047720 1372262250 /nfs/dbraw/zinc/26/22/50/1372262250.db2.gz ISXJEFTTWWZLOA-UHFFFAOYSA-N 2 2 348.450 3.093 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051930 1372263115 /nfs/dbraw/zinc/26/31/15/1372263115.db2.gz LVQMPWGWKDBQDU-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051930 1372263120 /nfs/dbraw/zinc/26/31/20/1372263120.db2.gz LVQMPWGWKDBQDU-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CCc1cccc(Nc2ccc(N3CC[NH+](C)CC3)cc2OC)[nH+]1 ZINC001213541353 1372922889 /nfs/dbraw/zinc/92/28/89/1372922889.db2.gz TUUGUIUMPOPVFJ-UHFFFAOYSA-N 2 2 326.444 3.148 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214631932 1373092679 /nfs/dbraw/zinc/09/26/79/1373092679.db2.gz BANBFCNSBJSKOV-RDTXWAMCSA-N 2 2 342.487 3.129 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001214964593 1373149579 /nfs/dbraw/zinc/14/95/79/1373149579.db2.gz HRDXNFWPJNQPTD-RDTXWAMCSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964545 1373149590 /nfs/dbraw/zinc/14/95/90/1373149590.db2.gz FFYRYBFAWZCLSY-QMTMVMCOSA-N 2 2 342.487 3.295 20 0 EGADLP Cc1ccc(C[NH3+])cc1-c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001217099044 1373387304 /nfs/dbraw/zinc/38/73/04/1373387304.db2.gz UPHVWXUBNAAGQG-UHFFFAOYSA-N 2 2 331.379 3.356 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc2ccccc21 ZINC001129902730 1373433352 /nfs/dbraw/zinc/43/33/52/1373433352.db2.gz APAAZNAJORSKQF-NIKGAXFTSA-N 2 2 348.450 3.133 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc2ccccc21 ZINC001129902730 1373433356 /nfs/dbraw/zinc/43/33/56/1373433356.db2.gz APAAZNAJORSKQF-NIKGAXFTSA-N 2 2 348.450 3.133 20 0 EGADLP [NH3+][C@@H](CC(=O)Nc1cc[nH+]c2c1CCC2)c1cccc(C(F)(F)F)c1 ZINC001218619504 1373636849 /nfs/dbraw/zinc/63/68/49/1373636849.db2.gz BGMKFTSEQFFISU-AWEZNQCLSA-N 2 2 349.356 3.040 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001218811845 1373656617 /nfs/dbraw/zinc/65/66/17/1373656617.db2.gz LGRQQXAIBGISTD-QZTJIDSGSA-N 2 2 346.434 3.204 20 0 EGADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC001218988703 1373674765 /nfs/dbraw/zinc/67/47/65/1373674765.db2.gz KROPNTPWPOJSPB-UHFFFAOYSA-N 2 2 348.450 3.115 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(-c3cccc(O)c3)cc2)cc1 ZINC001219495681 1373712419 /nfs/dbraw/zinc/71/24/19/1373712419.db2.gz XVVUBSKLXKGVCZ-FQEVSTJZSA-N 2 2 347.418 3.270 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC001131560504 1373721178 /nfs/dbraw/zinc/72/11/78/1373721178.db2.gz QMQSCWPWGGOOHJ-UHFFFAOYSA-N 2 2 331.847 3.180 20 0 EGADLP Cc1cc(C)c(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c(C)c1 ZINC001131560326 1373721931 /nfs/dbraw/zinc/72/19/31/1373721931.db2.gz IKGSOZQLQHJOFH-UHFFFAOYSA-N 2 2 339.483 3.452 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224795656 1375077623 /nfs/dbraw/zinc/07/76/23/1375077623.db2.gz JMQPOPYQSMAPKV-IAGOWNOFSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224795656 1375077627 /nfs/dbraw/zinc/07/76/27/1375077627.db2.gz JMQPOPYQSMAPKV-IAGOWNOFSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001226696743 1375310540 /nfs/dbraw/zinc/31/05/40/1375310540.db2.gz KOFUAOJGQCBQSZ-ATZDWAIDSA-N 2 2 340.471 3.121 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001226696743 1375310545 /nfs/dbraw/zinc/31/05/45/1375310545.db2.gz KOFUAOJGQCBQSZ-ATZDWAIDSA-N 2 2 340.471 3.121 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458181 1375401247 /nfs/dbraw/zinc/40/12/47/1375401247.db2.gz QXMYEQAUUSPTDD-PLQXZHKYSA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458181 1375401250 /nfs/dbraw/zinc/40/12/50/1375401250.db2.gz QXMYEQAUUSPTDD-PLQXZHKYSA-N 2 2 346.519 3.068 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1=CCCCC1 ZINC001132547023 1375454551 /nfs/dbraw/zinc/45/45/51/1375454551.db2.gz WBIAYGUNNDEDMI-MJGOQNOKSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1=CCCCC1 ZINC001132547023 1375454557 /nfs/dbraw/zinc/45/45/57/1375454557.db2.gz WBIAYGUNNDEDMI-MJGOQNOKSA-N 2 2 344.503 3.133 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228528328 1375587593 /nfs/dbraw/zinc/58/75/93/1375587593.db2.gz CLRWFTAODKTOSJ-BRWVUGGUSA-N 2 2 346.519 3.283 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132875235 1375616629 /nfs/dbraw/zinc/61/66/29/1375616629.db2.gz VPGCUQNYHLZJSP-HQYUYXFKSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132875235 1375616637 /nfs/dbraw/zinc/61/66/37/1375616637.db2.gz VPGCUQNYHLZJSP-HQYUYXFKSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001228836021 1375690100 /nfs/dbraw/zinc/69/01/00/1375690100.db2.gz MIOXTQVPLKVHBJ-BHIYHBOVSA-N 2 2 346.519 3.432 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133245400 1375866185 /nfs/dbraw/zinc/86/61/85/1375866185.db2.gz DJSLIPASKRRVOJ-TZNMXKOXSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133272500 1375888128 /nfs/dbraw/zinc/88/81/28/1375888128.db2.gz ZPIVYBYCOSBRFC-WBVHZDCISA-N 2 2 348.535 3.161 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363215 1375945644 /nfs/dbraw/zinc/94/56/44/1375945644.db2.gz FRPNJIPACUNGMZ-XOIGSVRCSA-N 2 2 346.519 3.094 20 0 EGADLP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)s1 ZINC001231499232 1376251397 /nfs/dbraw/zinc/25/13/97/1376251397.db2.gz KCQRKAKIKNFAHC-IYBDPMFKSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)s1 ZINC001231499232 1376251401 /nfs/dbraw/zinc/25/14/01/1376251401.db2.gz KCQRKAKIKNFAHC-IYBDPMFKSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)s1 ZINC001231499232 1376251406 /nfs/dbraw/zinc/25/14/06/1376251406.db2.gz KCQRKAKIKNFAHC-IYBDPMFKSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)s1 ZINC001231499232 1376251409 /nfs/dbraw/zinc/25/14/09/1376251409.db2.gz KCQRKAKIKNFAHC-IYBDPMFKSA-N 2 2 327.497 3.269 20 0 EGADLP Cc1csc2sc(C[NH+]3CC(N4CC[NH+](C)CC4)C3)c(C)c12 ZINC001231831915 1376323221 /nfs/dbraw/zinc/32/32/21/1376323221.db2.gz HNKIZMBDVOUGPZ-UHFFFAOYSA-N 2 2 335.542 3.011 20 0 EGADLP CC[N@H+](Cc1cc(OC)c(Cl)cc1OC)C1CC[NH+](C)CC1 ZINC001232373669 1376453056 /nfs/dbraw/zinc/45/30/56/1376453056.db2.gz PIVTZVUTSADMFB-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CC[N@@H+](Cc1cc(OC)c(Cl)cc1OC)C1CC[NH+](C)CC1 ZINC001232373669 1376453058 /nfs/dbraw/zinc/45/30/58/1376453058.db2.gz PIVTZVUTSADMFB-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402834 1376511838 /nfs/dbraw/zinc/51/18/38/1376511838.db2.gz IHGQSXKLXZMYPV-HOTGVXAUSA-N 2 2 348.535 3.071 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134543711 1376583199 /nfs/dbraw/zinc/58/31/99/1376583199.db2.gz ARPMDNGOIRACAA-HOTGVXAUSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134543711 1376583200 /nfs/dbraw/zinc/58/32/00/1376583200.db2.gz ARPMDNGOIRACAA-HOTGVXAUSA-N 2 2 348.535 3.432 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001134733458 1376685098 /nfs/dbraw/zinc/68/50/98/1376685098.db2.gz ZZUNZBACOMCWTQ-HZPDHXFCSA-N 2 2 347.503 3.086 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969618 1376818719 /nfs/dbraw/zinc/81/87/19/1376818719.db2.gz NEJPFFPGIWRXFV-HZPDHXFCSA-N 2 2 342.487 3.401 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CCCC(C)(C)C ZINC001135055738 1376870269 /nfs/dbraw/zinc/87/02/69/1376870269.db2.gz HLZYIAUYJOZOLN-CVEARBPZSA-N 2 2 336.524 3.052 20 0 EGADLP Oc1c(F)cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1Cl ZINC001235703036 1376884459 /nfs/dbraw/zinc/88/44/59/1376884459.db2.gz OWGZYPVKFPLBMR-UHFFFAOYSA-N 2 2 326.843 3.396 20 0 EGADLP OCc1ccc(C(F)(F)F)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001236060054 1376929726 /nfs/dbraw/zinc/92/97/26/1376929726.db2.gz UYQRWCQKBAREJB-UHFFFAOYSA-N 2 2 347.340 3.199 20 0 EGADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCN(c3cccc4sccc43)CC2)CO1 ZINC001236181390 1376939722 /nfs/dbraw/zinc/93/97/22/1376939722.db2.gz JFINFESUMKDVQC-HNNXBMFYSA-N 2 2 345.512 3.138 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236181436 1376940157 /nfs/dbraw/zinc/94/01/57/1376940157.db2.gz JQJBTWSCZIFSPW-UHFFFAOYSA-N 3 2 332.451 3.150 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236181436 1376940163 /nfs/dbraw/zinc/94/01/63/1376940163.db2.gz JQJBTWSCZIFSPW-UHFFFAOYSA-N 3 2 332.451 3.150 20 0 EGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236843773 1376966971 /nfs/dbraw/zinc/96/69/71/1376966971.db2.gz QXFSTAOHXJTXDF-INIZCTEOSA-N 3 2 332.879 3.347 20 0 EGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC001236843773 1376966974 /nfs/dbraw/zinc/96/69/74/1376966974.db2.gz QXFSTAOHXJTXDF-INIZCTEOSA-N 3 2 332.879 3.347 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001237059370 1376974391 /nfs/dbraw/zinc/97/43/91/1376974391.db2.gz TWKLRJUFUWIBLQ-MRXNPFEDSA-N 2 2 336.277 3.491 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001237059370 1376974407 /nfs/dbraw/zinc/97/44/07/1376974407.db2.gz TWKLRJUFUWIBLQ-MRXNPFEDSA-N 2 2 336.277 3.491 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)ccc21 ZINC001237140903 1376976344 /nfs/dbraw/zinc/97/63/44/1376976344.db2.gz BWQMDSZJZTUFHM-QFIPXVFZSA-N 2 2 349.478 3.379 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)ccc21 ZINC001237140903 1376976347 /nfs/dbraw/zinc/97/63/47/1376976347.db2.gz BWQMDSZJZTUFHM-QFIPXVFZSA-N 2 2 349.478 3.379 20 0 EGADLP c1ccc(CCc2ccccc2C[N@@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237141223 1376976796 /nfs/dbraw/zinc/97/67/96/1376976796.db2.gz GJFICNBHMPJQGH-JOCHJYFZSA-N 2 2 336.479 3.036 20 0 EGADLP c1ccc(CCc2ccccc2C[N@H+]2CC[C@]3(C2)C[NH2+]CCO3)cc1 ZINC001237141223 1376976798 /nfs/dbraw/zinc/97/67/98/1376976798.db2.gz GJFICNBHMPJQGH-JOCHJYFZSA-N 2 2 336.479 3.036 20 0 EGADLP COc1ccc2cc(CC[C@H](C)[NH2+][C@@H](C)[C@H]3C[NH2+]CCO3)ccc2c1 ZINC001246292601 1377051085 /nfs/dbraw/zinc/05/10/85/1377051085.db2.gz KQXAURHIYISLTQ-CKJXQJPGSA-N 2 2 342.483 3.136 20 0 EGADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381957 1377051497 /nfs/dbraw/zinc/05/14/97/1377051497.db2.gz VKKIICDUKHEOQF-MJGOQNOKSA-N 3 2 347.522 3.247 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246938695 1377056015 /nfs/dbraw/zinc/05/60/15/1377056015.db2.gz SJHXXQDOZWFVPM-VQIMIIECSA-N 2 2 349.494 3.027 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246938695 1377056023 /nfs/dbraw/zinc/05/60/23/1377056023.db2.gz SJHXXQDOZWFVPM-VQIMIIECSA-N 2 2 349.494 3.027 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254510482 1377105412 /nfs/dbraw/zinc/10/54/12/1377105412.db2.gz WUMTUZFGKBVGIA-LJQANCHMSA-N 3 2 333.495 3.172 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254510482 1377105414 /nfs/dbraw/zinc/10/54/14/1377105414.db2.gz WUMTUZFGKBVGIA-LJQANCHMSA-N 3 2 333.495 3.172 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CCCC1CCCC1 ZINC001136051378 1377313080 /nfs/dbraw/zinc/31/30/80/1377313080.db2.gz ABJNLXNMFJLKGP-SJORKVTESA-N 2 2 348.535 3.196 20 0 EGADLP Cc1csc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001137156172 1377488543 /nfs/dbraw/zinc/48/85/43/1377488543.db2.gz WDUVVVBNAFKBOK-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP Cc1csc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c1 ZINC001137156172 1377488545 /nfs/dbraw/zinc/48/85/45/1377488545.db2.gz WDUVVVBNAFKBOK-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001137314950 1377516577 /nfs/dbraw/zinc/51/65/77/1377516577.db2.gz QXQHCEQPYMAJRC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccccc2[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001137314950 1377516583 /nfs/dbraw/zinc/51/65/83/1377516583.db2.gz QXQHCEQPYMAJRC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001137314950 1377516585 /nfs/dbraw/zinc/51/65/85/1377516585.db2.gz QXQHCEQPYMAJRC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001137314950 1377516589 /nfs/dbraw/zinc/51/65/89/1377516589.db2.gz QXQHCEQPYMAJRC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1ccc2nc(Cl)c(C[N@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001137923933 1377645218 /nfs/dbraw/zinc/64/52/18/1377645218.db2.gz ILQBMJMCXXMZDY-UHFFFAOYSA-N 2 2 326.831 3.451 20 0 EGADLP Cc1ccc2nc(Cl)c(C[N@@H+]3CCc4[nH+]ccn4CC3)cc2c1 ZINC001137923933 1377645219 /nfs/dbraw/zinc/64/52/19/1377645219.db2.gz ILQBMJMCXXMZDY-UHFFFAOYSA-N 2 2 326.831 3.451 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)c1 ZINC001138063678 1377673051 /nfs/dbraw/zinc/67/30/51/1377673051.db2.gz CAKUIOUGNPJOPY-UHFFFAOYSA-N 2 2 349.434 3.271 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001138489476 1377732154 /nfs/dbraw/zinc/73/21/54/1377732154.db2.gz RGMMMKCWVASUNZ-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2cnc(Cl)s2)cc1 ZINC001138770056 1377782289 /nfs/dbraw/zinc/78/22/89/1377782289.db2.gz PBENQPCLJXRDOB-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)cc1 ZINC001138770056 1377782290 /nfs/dbraw/zinc/78/22/90/1377782290.db2.gz PBENQPCLJXRDOB-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3c1cccc3Cl)CC2 ZINC001138834052 1377793484 /nfs/dbraw/zinc/79/34/84/1377793484.db2.gz WCOHAQPOLVMZFO-UHFFFAOYSA-N 2 2 346.862 3.451 20 0 EGADLP C[N@H+](CCc1cccc(F)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139060584 1377823501 /nfs/dbraw/zinc/82/35/01/1377823501.db2.gz RDRWJCZFMSSRLX-UHFFFAOYSA-N 2 2 342.458 3.332 20 0 EGADLP C[N@@H+](CCc1cccc(F)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139060584 1377823503 /nfs/dbraw/zinc/82/35/03/1377823503.db2.gz RDRWJCZFMSSRLX-UHFFFAOYSA-N 2 2 342.458 3.332 20 0 EGADLP CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001139361903 1377874199 /nfs/dbraw/zinc/87/41/99/1377874199.db2.gz DCSQNWKCYQPSHX-QAPCUYQASA-N 2 2 327.428 3.036 20 0 EGADLP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001139361903 1377874200 /nfs/dbraw/zinc/87/42/00/1377874200.db2.gz DCSQNWKCYQPSHX-QAPCUYQASA-N 2 2 327.428 3.036 20 0 EGADLP Cc1cccc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC001139362282 1377874310 /nfs/dbraw/zinc/87/43/10/1377874310.db2.gz JPDPQYBRCIDXBT-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC001139362282 1377874311 /nfs/dbraw/zinc/87/43/11/1377874311.db2.gz JPDPQYBRCIDXBT-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP C[NH+]1CCN(C2C[NH+](Cc3ccc4oc5ccccc5c4c3)C2)CC1 ZINC001139755007 1377946697 /nfs/dbraw/zinc/94/66/97/1377946697.db2.gz SJBVLRNJZMPXKL-UHFFFAOYSA-N 2 2 335.451 3.018 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140492285 1378072238 /nfs/dbraw/zinc/07/22/38/1378072238.db2.gz SBRPPDQTYSXNAF-UHFFFAOYSA-N 2 2 329.444 3.203 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140492285 1378072240 /nfs/dbraw/zinc/07/22/40/1378072240.db2.gz SBRPPDQTYSXNAF-UHFFFAOYSA-N 2 2 329.444 3.203 20 0 EGADLP COC(C[N@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1)OC ZINC001140802129 1378142287 /nfs/dbraw/zinc/14/22/87/1378142287.db2.gz OBXPYJHTZMPZFQ-UHFFFAOYSA-N 2 2 325.412 3.184 20 0 EGADLP COC(C[N@@H+](Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1)OC ZINC001140802129 1378142292 /nfs/dbraw/zinc/14/22/92/1378142292.db2.gz OBXPYJHTZMPZFQ-UHFFFAOYSA-N 2 2 325.412 3.184 20 0 EGADLP c1cn2ccc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH+]1 ZINC001141049992 1378222621 /nfs/dbraw/zinc/22/26/21/1378222621.db2.gz WAKUSEQCYKKIKW-LEWJYISDSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2ccc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH+]1 ZINC001141049992 1378222623 /nfs/dbraw/zinc/22/26/23/1378222623.db2.gz WAKUSEQCYKKIKW-LEWJYISDSA-N 2 2 346.478 3.288 20 0 EGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1ncc(Cl)nc1Cl)CC2 ZINC001141137246 1378246258 /nfs/dbraw/zinc/24/62/58/1378246258.db2.gz HSSQZOYLCCXBER-UHFFFAOYSA-N 2 2 329.275 3.091 20 0 EGADLP CC(C)c1nc(CC[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)no1 ZINC001141238571 1378280607 /nfs/dbraw/zinc/28/06/07/1378280607.db2.gz MULFFSRQOHESCD-UHFFFAOYSA-N 2 2 325.416 3.053 20 0 EGADLP CC(C)c1nc(CC[N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)no1 ZINC001141238571 1378280612 /nfs/dbraw/zinc/28/06/12/1378280612.db2.gz MULFFSRQOHESCD-UHFFFAOYSA-N 2 2 325.416 3.053 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)C12CC([NH2+]CCc3ccccc3)(C1)C2 ZINC001280261818 1378337869 /nfs/dbraw/zinc/33/78/69/1378337869.db2.gz PLKGEZNNDDOWGQ-UHFFFAOYSA-N 2 2 346.434 3.028 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)c1 ZINC001142950949 1378515667 /nfs/dbraw/zinc/51/56/67/1378515667.db2.gz UCNYPFDRERAYLQ-UHFFFAOYSA-N 2 2 341.455 3.038 20 0 EGADLP O=C(c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550774 1388558499 /nfs/dbraw/zinc/55/84/99/1388558499.db2.gz KBDKNLRXJKMGJS-VQTJNVASSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550774 1388558500 /nfs/dbraw/zinc/55/85/00/1388558500.db2.gz KBDKNLRXJKMGJS-VQTJNVASSA-N 2 2 341.499 3.029 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(OC)c1 ZINC001144234293 1378702792 /nfs/dbraw/zinc/70/27/92/1378702792.db2.gz RAOXNJGULLVVJH-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)c(OC)c1 ZINC001144234293 1378702795 /nfs/dbraw/zinc/70/27/95/1378702795.db2.gz RAOXNJGULLVVJH-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712468 1378905443 /nfs/dbraw/zinc/90/54/43/1378905443.db2.gz BTTMFUYYIBKBHF-ROUUACIJSA-N 2 2 346.519 3.427 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001146754325 1378913626 /nfs/dbraw/zinc/91/36/26/1378913626.db2.gz DOSGYJANHRBTIB-IRXDYDNUSA-N 2 2 342.487 3.080 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001283679823 1379109087 /nfs/dbraw/zinc/10/90/87/1379109087.db2.gz MKKKTPIMKMCLEJ-SUMWQHHRSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccnn2CC2CC2)[nH+]1 ZINC001327871385 1388611934 /nfs/dbraw/zinc/61/19/34/1388611934.db2.gz HJOMNJVZPZFEIF-KRWDZBQOSA-N 2 2 325.460 3.073 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccnn2CC2CC2)[nH+]1 ZINC001327871385 1388611938 /nfs/dbraw/zinc/61/19/38/1388611938.db2.gz HJOMNJVZPZFEIF-KRWDZBQOSA-N 2 2 325.460 3.073 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478451 1380083583 /nfs/dbraw/zinc/08/35/83/1380083583.db2.gz YOEBHCAOBYQVGY-MRXNPFEDSA-N 2 2 348.535 3.025 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478451 1380083584 /nfs/dbraw/zinc/08/35/84/1380083584.db2.gz YOEBHCAOBYQVGY-MRXNPFEDSA-N 2 2 348.535 3.025 20 0 EGADLP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760534 1380123325 /nfs/dbraw/zinc/12/33/25/1380123325.db2.gz NCBRHNARMATIJO-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760534 1380123326 /nfs/dbraw/zinc/12/33/26/1380123326.db2.gz NCBRHNARMATIJO-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760534 1380123327 /nfs/dbraw/zinc/12/33/27/1380123327.db2.gz NCBRHNARMATIJO-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760534 1380123328 /nfs/dbraw/zinc/12/33/28/1380123328.db2.gz NCBRHNARMATIJO-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004958 1380175634 /nfs/dbraw/zinc/17/56/34/1380175634.db2.gz RAZDRERWHHYBDA-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004958 1380175638 /nfs/dbraw/zinc/17/56/38/1380175638.db2.gz RAZDRERWHHYBDA-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP c1cn(C2CCCC2)c2ncnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155058073 1380400283 /nfs/dbraw/zinc/40/02/83/1380400283.db2.gz SPIFGCSULDZRAZ-UHFFFAOYSA-N 2 2 336.443 3.199 20 0 EGADLP Clc1cccc(-c2cc(-n3c[nH+]cc3C3CC[NH2+]CC3)ncn2)c1 ZINC001155064307 1380401635 /nfs/dbraw/zinc/40/16/35/1380401635.db2.gz NNSCDABRNZQCLU-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155192861 1380422468 /nfs/dbraw/zinc/42/24/68/1380422468.db2.gz CUXREZJOAIGSJE-CVEARBPZSA-N 2 2 334.508 3.237 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155192861 1380422469 /nfs/dbraw/zinc/42/24/69/1380422469.db2.gz CUXREZJOAIGSJE-CVEARBPZSA-N 2 2 334.508 3.237 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522471 1380464175 /nfs/dbraw/zinc/46/41/75/1380464175.db2.gz VONIDUPAASSDNK-RKQNLGICSA-N 2 2 334.508 3.407 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522471 1380464177 /nfs/dbraw/zinc/46/41/77/1380464177.db2.gz VONIDUPAASSDNK-RKQNLGICSA-N 2 2 334.508 3.407 20 0 EGADLP CC[N@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521253 1380464192 /nfs/dbraw/zinc/46/41/92/1380464192.db2.gz IJYXOIDNJIAOOH-HUUCEWRRSA-N 2 2 348.516 3.231 20 0 EGADLP CC[N@@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521253 1380464195 /nfs/dbraw/zinc/46/41/95/1380464195.db2.gz IJYXOIDNJIAOOH-HUUCEWRRSA-N 2 2 348.516 3.231 20 0 EGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825415 1380495772 /nfs/dbraw/zinc/49/57/72/1380495772.db2.gz JMAAENLACCIHNP-QGZVFWFLSA-N 2 2 344.503 3.058 20 0 EGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825415 1380495773 /nfs/dbraw/zinc/49/57/73/1380495773.db2.gz JMAAENLACCIHNP-QGZVFWFLSA-N 2 2 344.503 3.058 20 0 EGADLP C[NH+](C)Cc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC001156047557 1380517683 /nfs/dbraw/zinc/51/76/83/1380517683.db2.gz BWXIKWKBPVLTLT-UHFFFAOYSA-N 2 2 325.460 3.141 20 0 EGADLP C[NH+](C)Cc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC001156047557 1380517684 /nfs/dbraw/zinc/51/76/84/1380517684.db2.gz BWXIKWKBPVLTLT-UHFFFAOYSA-N 2 2 325.460 3.141 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248079 1380822630 /nfs/dbraw/zinc/82/26/30/1380822630.db2.gz FSYSCZOLCPWYHC-JTHGQSKGSA-N 2 2 334.508 3.236 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248079 1380822638 /nfs/dbraw/zinc/82/26/38/1380822638.db2.gz FSYSCZOLCPWYHC-JTHGQSKGSA-N 2 2 334.508 3.236 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879989 1381057144 /nfs/dbraw/zinc/05/71/44/1381057144.db2.gz GDFZRIKCPZYHFE-QZTJIDSGSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879989 1381057151 /nfs/dbraw/zinc/05/71/51/1381057151.db2.gz GDFZRIKCPZYHFE-QZTJIDSGSA-N 2 2 348.535 3.337 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879808 1381057216 /nfs/dbraw/zinc/05/72/16/1381057216.db2.gz AEHSWNXHYPDDNA-VGOKWCNXSA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879808 1381057220 /nfs/dbraw/zinc/05/72/20/1381057220.db2.gz AEHSWNXHYPDDNA-VGOKWCNXSA-N 2 2 332.492 3.012 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090359 1381124889 /nfs/dbraw/zinc/12/48/89/1381124889.db2.gz XGULXNUIJJYRET-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090359 1381124892 /nfs/dbraw/zinc/12/48/92/1381124892.db2.gz XGULXNUIJJYRET-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090359 1381124896 /nfs/dbraw/zinc/12/48/96/1381124896.db2.gz XGULXNUIJJYRET-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090359 1381124898 /nfs/dbraw/zinc/12/48/98/1381124898.db2.gz XGULXNUIJJYRET-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158271932 1381181529 /nfs/dbraw/zinc/18/15/29/1381181529.db2.gz NVMCPSZSOYPMQB-BEFAXECRSA-N 2 2 333.476 3.143 20 0 EGADLP CCOc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1C ZINC001159262801 1381746892 /nfs/dbraw/zinc/74/68/92/1381746892.db2.gz YUPZJIHLHVOSDQ-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP CN(Cc1ccccc1)c1ccc(Nc2cnn([C@H]3CC[NH2+]C3)c2)c[nH+]1 ZINC001159317278 1381760858 /nfs/dbraw/zinc/76/08/58/1381760858.db2.gz JGFGJVZGIVRVRK-IBGZPJMESA-N 2 2 348.454 3.193 20 0 EGADLP CN(C)c1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1Cl ZINC001159323201 1381761791 /nfs/dbraw/zinc/76/17/91/1381761791.db2.gz GZLCUCRKPRTMCP-UHFFFAOYSA-N 2 2 345.878 3.472 20 0 EGADLP COc1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c(C)c1C ZINC001159323059 1381762253 /nfs/dbraw/zinc/76/22/53/1381762253.db2.gz FUEPTZDUBBGQHY-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP CCOc1cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)ccc1C ZINC001159324201 1381762326 /nfs/dbraw/zinc/76/23/26/1381762326.db2.gz WRMSVWUWRSVXOV-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP COc1ccc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)cc1C ZINC001159334156 1381768182 /nfs/dbraw/zinc/76/81/82/1381768182.db2.gz SPKVCMLYZGTLRF-UHFFFAOYSA-N 2 2 326.444 3.119 20 0 EGADLP COc1cc(C)c(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)c(C)c1 ZINC001159335774 1381769130 /nfs/dbraw/zinc/76/91/30/1381769130.db2.gz DWMBCLPPSKRAJR-UHFFFAOYSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1cc[nH+]c(C(C)C)c1Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001159421276 1381791578 /nfs/dbraw/zinc/79/15/78/1381791578.db2.gz QRGKDLBRVCBHAM-UHFFFAOYSA-N 2 2 338.455 3.302 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001159972399 1381954710 /nfs/dbraw/zinc/95/47/10/1381954710.db2.gz NLYGZOMMZJFQHU-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001159972399 1381954713 /nfs/dbraw/zinc/95/47/13/1381954713.db2.gz NLYGZOMMZJFQHU-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP Fc1cccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1N1CC[NH2+]CC1 ZINC001160113901 1382000789 /nfs/dbraw/zinc/00/07/89/1382000789.db2.gz GYBMHKNJEZWSCQ-UHFFFAOYSA-N 2 2 337.402 3.369 20 0 EGADLP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821512 1382209337 /nfs/dbraw/zinc/20/93/37/1382209337.db2.gz IQRVTMDMAPMSMR-PLNGDYQASA-N 2 2 344.503 3.158 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821512 1382209339 /nfs/dbraw/zinc/20/93/39/1382209339.db2.gz IQRVTMDMAPMSMR-PLNGDYQASA-N 2 2 344.503 3.158 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CC[C@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC001160827347 1382210454 /nfs/dbraw/zinc/21/04/54/1382210454.db2.gz WPJNDQRDNJYTPC-SJLPKXTDSA-N 2 2 348.535 3.239 20 0 EGADLP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012587 1382270819 /nfs/dbraw/zinc/27/08/19/1382270819.db2.gz DVEALFWJWVDJFZ-FUHWJXTLSA-N 2 2 340.471 3.314 20 0 EGADLP C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012587 1382270826 /nfs/dbraw/zinc/27/08/26/1382270826.db2.gz DVEALFWJWVDJFZ-FUHWJXTLSA-N 2 2 340.471 3.314 20 0 EGADLP CCC(CC)[NH+]1CCC(Nc2nc(NC(C)C)c(OC)c[nH+]2)CC1 ZINC001161095069 1382295267 /nfs/dbraw/zinc/29/52/67/1382295267.db2.gz PSMKXJILZJCWEA-UHFFFAOYSA-N 2 2 335.496 3.370 20 0 EGADLP COc1cc(C)c[nH+]c1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161246592 1382354103 /nfs/dbraw/zinc/35/41/03/1382354103.db2.gz UXDGMMHQHIHWSM-UHFFFAOYSA-N 2 2 326.444 3.118 20 0 EGADLP CC(=O)Nc1c(C)cc[nH+]c1N(CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161680132 1382478425 /nfs/dbraw/zinc/47/84/25/1382478425.db2.gz FWWCBKJOSGEDEH-WKILWMFISA-N 2 2 332.492 3.471 20 0 EGADLP COc1cccc(C2(Nc3cc(N)cc(Cl)[nH+]3)CC[NH2+]CC2)c1 ZINC001161996246 1382593332 /nfs/dbraw/zinc/59/33/32/1382593332.db2.gz QPBRQONVRVXSLU-UHFFFAOYSA-N 2 2 332.835 3.017 20 0 EGADLP COc1cccc(C2(Nc3cc(C)[nH+]c(C4CC4)n3)CC[NH2+]CC2)c1 ZINC001161997553 1382593933 /nfs/dbraw/zinc/59/39/33/1382593933.db2.gz NWCVUFLCIKOQCE-UHFFFAOYSA-N 2 2 338.455 3.362 20 0 EGADLP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001162913871 1382914478 /nfs/dbraw/zinc/91/44/78/1382914478.db2.gz MDEXEGNHXFTUAL-DNVCBOLYSA-N 3 2 334.467 3.183 20 0 EGADLP C[C@@H]([NH3+])c1ccc2c(ccn2-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001162913871 1382914481 /nfs/dbraw/zinc/91/44/81/1382914481.db2.gz MDEXEGNHXFTUAL-DNVCBOLYSA-N 3 2 334.467 3.183 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162964388 1382929822 /nfs/dbraw/zinc/92/98/22/1382929822.db2.gz YWABOMFYCHOXDI-GOSISDBHSA-N 2 2 340.471 3.048 20 0 EGADLP c1[nH+]c2cc(NCC[C@H]3CCOC34C[NH2+]C4)ccc2n1-c1ccccc1 ZINC001163089481 1382961900 /nfs/dbraw/zinc/96/19/00/1382961900.db2.gz LMFULRCTWGCHOF-INIZCTEOSA-N 2 2 348.450 3.206 20 0 EGADLP O=C(NCCC[NH2+]CC1=CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473289 1383059211 /nfs/dbraw/zinc/05/92/11/1383059211.db2.gz QUOLHYGKFLEZIE-UHFFFAOYSA-N 2 2 338.455 3.082 20 0 EGADLP CC[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165638466 1383318665 /nfs/dbraw/zinc/31/86/65/1383318665.db2.gz SKIAJIMZYVCJES-ZWKOTPCHSA-N 2 2 348.535 3.393 20 0 EGADLP CC(C)CCC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756506 1383340298 /nfs/dbraw/zinc/34/02/98/1383340298.db2.gz LHHBQKCBJZQJJK-UHFFFAOYSA-N 2 2 342.487 3.489 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2(C[NH2+]CC3CCC3)CC2)c(C)[nH+]1 ZINC001166300807 1383410340 /nfs/dbraw/zinc/41/03/40/1383410340.db2.gz DNQIUHYSMAFWCS-UHFFFAOYSA-N 2 2 329.488 3.297 20 0 EGADLP CC(C)C[NH2+]CC1(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001167600980 1383685916 /nfs/dbraw/zinc/68/59/16/1383685916.db2.gz APQOFLMJCIAOFR-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP CC1(C)CC(Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CC(C)(C)N1O ZINC001167721347 1383722049 /nfs/dbraw/zinc/72/20/49/1383722049.db2.gz VPCLTLOIPPNDIZ-MRXNPFEDSA-N 2 2 346.519 3.042 20 0 EGADLP CC1(C)CC(Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)CC(C)(C)N1O ZINC001167721347 1383722054 /nfs/dbraw/zinc/72/20/54/1383722054.db2.gz VPCLTLOIPPNDIZ-MRXNPFEDSA-N 2 2 346.519 3.042 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001167751987 1383730586 /nfs/dbraw/zinc/73/05/86/1383730586.db2.gz AJBDWYKGSSXFOP-CYBMUJFWSA-N 2 2 330.432 3.026 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001167751987 1383730591 /nfs/dbraw/zinc/73/05/91/1383730591.db2.gz AJBDWYKGSSXFOP-CYBMUJFWSA-N 2 2 330.432 3.026 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001167901792 1383767962 /nfs/dbraw/zinc/76/79/62/1383767962.db2.gz ZPXANKRYLGPWCG-UHFFFAOYSA-N 2 2 346.519 3.107 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940301 1383773390 /nfs/dbraw/zinc/77/33/90/1383773390.db2.gz LIFUQSPGWGCMCS-MNZLEMJZSA-N 2 2 337.467 3.463 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940301 1383773393 /nfs/dbraw/zinc/77/33/93/1383773393.db2.gz LIFUQSPGWGCMCS-MNZLEMJZSA-N 2 2 337.467 3.463 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940301 1383773396 /nfs/dbraw/zinc/77/33/96/1383773396.db2.gz LIFUQSPGWGCMCS-MNZLEMJZSA-N 2 2 337.467 3.463 20 0 EGADLP COc1nccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001168020115 1383798239 /nfs/dbraw/zinc/79/82/39/1383798239.db2.gz KNPTYYRSSHDDBM-HZPDHXFCSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](F)C[C@H](CO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039330 1383802836 /nfs/dbraw/zinc/80/28/36/1383802836.db2.gz DEGADCBYUODHSZ-ZRSLWSEBSA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](F)C[C@H](CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039330 1383802839 /nfs/dbraw/zinc/80/28/39/1383802839.db2.gz DEGADCBYUODHSZ-ZRSLWSEBSA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](F)C[C@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039330 1383802843 /nfs/dbraw/zinc/80/28/43/1383802843.db2.gz DEGADCBYUODHSZ-ZRSLWSEBSA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H](F)C[C@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039330 1383802847 /nfs/dbraw/zinc/80/28/47/1383802847.db2.gz DEGADCBYUODHSZ-ZRSLWSEBSA-N 2 2 334.479 3.080 20 0 EGADLP Fc1ccc(F)c(O[C@@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390275 1383893647 /nfs/dbraw/zinc/89/36/47/1383893647.db2.gz GAHKYMVDBNWADE-QGZVFWFLSA-N 2 2 336.426 3.292 20 0 EGADLP Fc1ccc(F)c(O[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390275 1383893650 /nfs/dbraw/zinc/89/36/50/1383893650.db2.gz GAHKYMVDBNWADE-QGZVFWFLSA-N 2 2 336.426 3.292 20 0 EGADLP COc1cc(N([C@@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)cc[nH+]1 ZINC001168497537 1383923923 /nfs/dbraw/zinc/92/39/23/1383923923.db2.gz BTFIWUFEAVJQRN-HNNXBMFYSA-N 2 2 343.446 3.419 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307668937 1384011148 /nfs/dbraw/zinc/01/11/48/1384011148.db2.gz JENHXNQUFRPPHH-KBPBESRZSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307668937 1384011153 /nfs/dbraw/zinc/01/11/53/1384011153.db2.gz JENHXNQUFRPPHH-KBPBESRZSA-N 2 2 344.425 3.188 20 0 EGADLP Cc1[nH+]c2ccc(-n3nnc(-c4cccc(C[NH3+])c4)n3)cc2n1C(C)C ZINC001168883675 1384045926 /nfs/dbraw/zinc/04/59/26/1384045926.db2.gz ASKMMSSCRTVAQR-UHFFFAOYSA-N 2 2 347.426 3.027 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1csc(C)n1 ZINC001308202579 1384108541 /nfs/dbraw/zinc/10/85/41/1384108541.db2.gz JEFQLIPAQJCMJX-UHFFFAOYSA-N 2 2 333.501 3.462 20 0 EGADLP COc1cccc(C(=O)C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001169127000 1384110916 /nfs/dbraw/zinc/11/09/16/1384110916.db2.gz ZHKOZTZQFSJICR-REPLKXPHSA-N 2 2 342.483 3.215 20 0 EGADLP COc1cccc(C(=O)C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001169127000 1384110917 /nfs/dbraw/zinc/11/09/17/1384110917.db2.gz ZHKOZTZQFSJICR-REPLKXPHSA-N 2 2 342.483 3.215 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129558 1384111370 /nfs/dbraw/zinc/11/13/70/1384111370.db2.gz JKIIXQDMDQRARO-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129558 1384111372 /nfs/dbraw/zinc/11/13/72/1384111372.db2.gz JKIIXQDMDQRARO-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129558 1384111374 /nfs/dbraw/zinc/11/13/74/1384111374.db2.gz JKIIXQDMDQRARO-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129558 1384111376 /nfs/dbraw/zinc/11/13/76/1384111376.db2.gz JKIIXQDMDQRARO-BJWYYQGGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143023 1384113592 /nfs/dbraw/zinc/11/35/92/1384113592.db2.gz JAVYXUGVVIIMFJ-GHTZIAJQSA-N 3 2 344.547 3.394 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001170417672 1384313352 /nfs/dbraw/zinc/31/33/52/1384313352.db2.gz MGCCYHUJGUMOIZ-SJLPKXTDSA-N 2 2 332.488 3.446 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471650 1384326130 /nfs/dbraw/zinc/32/61/30/1384326130.db2.gz FFLWAEMMIBTEMW-RTRPANQVSA-N 2 2 334.508 3.353 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483499 1384328192 /nfs/dbraw/zinc/32/81/92/1384328192.db2.gz MAUUKZLLRPZAFD-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP CC1(C)[C@@H]2C[C@H](N(c3cccc[nH+]3)[C@H]3COC4(C3)CC[NH2+]CC4)C[C@@H]21 ZINC001170749455 1384377487 /nfs/dbraw/zinc/37/74/87/1384377487.db2.gz FIANYDDPMOWHGX-ZJPYXAASSA-N 2 2 341.499 3.234 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889387 1384406579 /nfs/dbraw/zinc/40/65/79/1384406579.db2.gz NHKHDQYVXYKPSI-OLMNPRSZSA-N 2 2 349.316 3.332 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889387 1384406581 /nfs/dbraw/zinc/40/65/81/1384406581.db2.gz NHKHDQYVXYKPSI-OLMNPRSZSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889387 1384406582 /nfs/dbraw/zinc/40/65/82/1384406582.db2.gz NHKHDQYVXYKPSI-OLMNPRSZSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889387 1384406586 /nfs/dbraw/zinc/40/65/86/1384406586.db2.gz NHKHDQYVXYKPSI-OLMNPRSZSA-N 2 2 349.316 3.332 20 0 EGADLP Fc1cccc2c1C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001171004496 1384428126 /nfs/dbraw/zinc/42/81/26/1384428126.db2.gz GDMZLZNZOGEMPO-KRWDZBQOSA-N 2 2 325.431 3.337 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151392 1384455430 /nfs/dbraw/zinc/45/54/30/1384455430.db2.gz IBBRAPXGDRDRKW-RTRPANQVSA-N 2 2 334.508 3.353 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151392 1384455432 /nfs/dbraw/zinc/45/54/32/1384455432.db2.gz IBBRAPXGDRDRKW-RTRPANQVSA-N 2 2 334.508 3.353 20 0 EGADLP CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527442 1384551974 /nfs/dbraw/zinc/55/19/74/1384551974.db2.gz NNRJVHXUMGVZCR-ZFWWWQNUSA-N 2 2 334.439 3.189 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577408 1384569917 /nfs/dbraw/zinc/56/99/17/1384569917.db2.gz SBFIJJQOELQEGP-SJORKVTESA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605976 1384577666 /nfs/dbraw/zinc/57/76/66/1384577666.db2.gz RZZVIBXAGVCDNL-DLBZAZTESA-N 2 2 348.535 3.146 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171780289 1384634017 /nfs/dbraw/zinc/63/40/17/1384634017.db2.gz ZVIZWIMYSQWIFR-MRXNPFEDSA-N 2 2 342.487 3.403 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975018 1384701173 /nfs/dbraw/zinc/70/11/73/1384701173.db2.gz KDQPTKUWJASYIF-VQTJNVASSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171975018 1384701175 /nfs/dbraw/zinc/70/11/75/1384701175.db2.gz KDQPTKUWJASYIF-VQTJNVASSA-N 2 2 339.483 3.148 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]2C1 ZINC001172082807 1384722705 /nfs/dbraw/zinc/72/27/05/1384722705.db2.gz MBWBLLJSUQBCJN-YUBLJMCLSA-N 3 2 339.527 3.066 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]2C1 ZINC001172082807 1384722708 /nfs/dbraw/zinc/72/27/08/1384722708.db2.gz MBWBLLJSUQBCJN-YUBLJMCLSA-N 3 2 339.527 3.066 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113571 1384731656 /nfs/dbraw/zinc/73/16/56/1384731656.db2.gz KMWUYYYXDKJPTP-WLRLJWMZSA-N 3 2 331.548 3.412 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113571 1384731661 /nfs/dbraw/zinc/73/16/61/1384731661.db2.gz KMWUYYYXDKJPTP-WLRLJWMZSA-N 3 2 331.548 3.412 20 0 EGADLP C[C@@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)C[C@@H]1C ZINC001172381215 1384782028 /nfs/dbraw/zinc/78/20/28/1384782028.db2.gz YMYWWSBNVCFMGC-SQNIBIBYSA-N 2 2 343.519 3.024 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172949268 1384887400 /nfs/dbraw/zinc/88/74/00/1384887400.db2.gz IVHKNXYQTRGXLW-IRXDYDNUSA-N 2 2 341.540 3.342 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172974162 1384893574 /nfs/dbraw/zinc/89/35/74/1384893574.db2.gz HKKXCEXNMNQPGE-LSDHHAIUSA-N 2 2 336.480 3.168 20 0 EGADLP c1nc2c(s1)C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1)CC2 ZINC001173140710 1384922855 /nfs/dbraw/zinc/92/28/55/1384922855.db2.gz LYLUTFZZPKWGID-MSOLQXFVSA-N 2 2 341.524 3.297 20 0 EGADLP [NH3+]Cc1ccc(-c2c[nH+]cn2C2CCN(CC(F)(F)F)CC2)cc1 ZINC001173665213 1384999674 /nfs/dbraw/zinc/99/96/74/1384999674.db2.gz FADNBITZQYEFJM-UHFFFAOYSA-N 2 2 338.377 3.208 20 0 EGADLP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001173781636 1385015860 /nfs/dbraw/zinc/01/58/60/1385015860.db2.gz PVLDGPFJJSMCSX-KVZIAJEVSA-N 2 2 330.472 3.322 20 0 EGADLP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001173781636 1385015863 /nfs/dbraw/zinc/01/58/63/1385015863.db2.gz PVLDGPFJJSMCSX-KVZIAJEVSA-N 2 2 330.472 3.322 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001317253606 1385024344 /nfs/dbraw/zinc/02/43/44/1385024344.db2.gz FPZICIKYJFRLGI-CQSZACIVSA-N 2 2 331.485 3.019 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513111 1385226542 /nfs/dbraw/zinc/22/65/42/1385226542.db2.gz GVAZFURJHCKURG-PKOBYXMFSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513111 1385226544 /nfs/dbraw/zinc/22/65/44/1385226544.db2.gz GVAZFURJHCKURG-PKOBYXMFSA-N 2 2 340.471 3.005 20 0 EGADLP CN(C)c1ccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c[nH+]1 ZINC001175343024 1385258997 /nfs/dbraw/zinc/25/89/97/1385258997.db2.gz CYDGHQUCNCZVBR-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001175462732 1385299530 /nfs/dbraw/zinc/29/95/30/1385299530.db2.gz VWAQJNMXELMZFS-VQIMIIECSA-N 2 2 342.487 3.368 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001176828851 1385715165 /nfs/dbraw/zinc/71/51/65/1385715165.db2.gz FYCKRSNRVPCJKO-HZPDHXFCSA-N 2 2 346.450 3.048 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001176829794 1385715962 /nfs/dbraw/zinc/71/59/62/1385715962.db2.gz PYBTUCBTKQYYGA-HNNXBMFYSA-N 2 2 348.878 3.001 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176830073 1385716108 /nfs/dbraw/zinc/71/61/08/1385716108.db2.gz ZWRCNYSCRPJJKX-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177299983 1385903332 /nfs/dbraw/zinc/90/33/32/1385903332.db2.gz CBBSTDQWFJQZCM-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177345152 1385922383 /nfs/dbraw/zinc/92/23/83/1385922383.db2.gz QVYGRTZBOWGVKQ-QZTJIDSGSA-N 2 2 346.519 3.312 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177345152 1385922386 /nfs/dbraw/zinc/92/23/86/1385922386.db2.gz QVYGRTZBOWGVKQ-QZTJIDSGSA-N 2 2 346.519 3.312 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(F)cc1F ZINC001319054386 1385947707 /nfs/dbraw/zinc/94/77/07/1385947707.db2.gz XBFDABOZRUBSHZ-UHFFFAOYSA-N 2 2 328.322 3.035 20 0 EGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001177506983 1385981946 /nfs/dbraw/zinc/98/19/46/1385981946.db2.gz XJAYWTGFQFIMCQ-UYAOXDASSA-N 2 2 346.515 3.314 20 0 EGADLP C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001319252236 1386026457 /nfs/dbraw/zinc/02/64/57/1386026457.db2.gz YSUMWJSBYJHBDO-HUUCEWRRSA-N 2 2 348.878 3.030 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001178654025 1386270011 /nfs/dbraw/zinc/27/00/11/1386270011.db2.gz KYDMGADDANCOPB-QGZVFWFLSA-N 2 2 342.487 3.370 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001178654025 1386270014 /nfs/dbraw/zinc/27/00/14/1386270014.db2.gz KYDMGADDANCOPB-QGZVFWFLSA-N 2 2 342.487 3.370 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178936738 1386354415 /nfs/dbraw/zinc/35/44/15/1386354415.db2.gz PYVWKZMXADLVJC-HPBDAGMYSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178936738 1386354420 /nfs/dbraw/zinc/35/44/20/1386354420.db2.gz PYVWKZMXADLVJC-HPBDAGMYSA-N 2 2 344.503 3.063 20 0 EGADLP CCOCCC[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001179084614 1386395556 /nfs/dbraw/zinc/39/55/56/1386395556.db2.gz DYQVMMUELNFQNC-UHFFFAOYSA-N 2 2 349.519 3.313 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCCCCCC[NH2+]CCC(C)(C)C ZINC001179097590 1386400200 /nfs/dbraw/zinc/40/02/00/1386400200.db2.gz NIZBDHBTJXQHAA-UHFFFAOYSA-N 2 2 336.524 3.055 20 0 EGADLP C[C@@H](CC(=O)NCCCCCC[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001179705753 1386560669 /nfs/dbraw/zinc/56/06/69/1386560669.db2.gz MHZQRIUQWRKKNZ-SFHVURJKSA-N 2 2 342.487 3.301 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179776666 1386580962 /nfs/dbraw/zinc/58/09/62/1386580962.db2.gz DHQMDLREVDPFFL-QGZVFWFLSA-N 2 2 346.519 3.355 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179776666 1386580970 /nfs/dbraw/zinc/58/09/70/1386580970.db2.gz DHQMDLREVDPFFL-QGZVFWFLSA-N 2 2 346.519 3.355 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179776700 1386581097 /nfs/dbraw/zinc/58/10/97/1386581097.db2.gz FHOIBQPVGUBJJG-MRXNPFEDSA-N 2 2 336.524 3.291 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179776700 1386581102 /nfs/dbraw/zinc/58/11/02/1386581102.db2.gz FHOIBQPVGUBJJG-MRXNPFEDSA-N 2 2 336.524 3.291 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001320509105 1386632813 /nfs/dbraw/zinc/63/28/13/1386632813.db2.gz MALVPRSTYPBWMD-QGZVFWFLSA-N 2 2 341.455 3.484 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001320509105 1386632818 /nfs/dbraw/zinc/63/28/18/1386632818.db2.gz MALVPRSTYPBWMD-QGZVFWFLSA-N 2 2 341.455 3.484 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]Cc1cccc(C)c1 ZINC001180155340 1386715840 /nfs/dbraw/zinc/71/58/40/1386715840.db2.gz WHWYTSNCVFFJKH-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276700 1386752874 /nfs/dbraw/zinc/75/28/74/1386752874.db2.gz ZVIKQRSJODXYJE-HKUYNNGSSA-N 2 2 344.503 3.133 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)s1 ZINC001321898543 1387006510 /nfs/dbraw/zinc/00/65/10/1387006510.db2.gz SVMWUQSLLVIALB-NSHDSACASA-N 2 2 342.468 3.149 20 0 EGADLP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820450 1387060466 /nfs/dbraw/zinc/06/04/66/1387060466.db2.gz OBCIEGPPYDPPJJ-QWFCFKBJSA-N 2 2 348.535 3.345 20 0 EGADLP C[NH+]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)CC1 ZINC001182243515 1387130215 /nfs/dbraw/zinc/13/02/15/1387130215.db2.gz JCHZYMOLWNAWMM-GOSISDBHSA-N 2 2 349.906 3.031 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001698710924 1406353136 /nfs/dbraw/zinc/35/31/36/1406353136.db2.gz CFCGMUGJXIVQDH-XMTFNYHQSA-N 2 2 348.535 3.288 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001698710924 1406353139 /nfs/dbraw/zinc/35/31/39/1406353139.db2.gz CFCGMUGJXIVQDH-XMTFNYHQSA-N 2 2 348.535 3.288 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCCC1 ZINC001329341661 1389068284 /nfs/dbraw/zinc/06/82/84/1389068284.db2.gz DDYUJLZLBVUOTH-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCCC1 ZINC001329341661 1389068286 /nfs/dbraw/zinc/06/82/86/1389068286.db2.gz DDYUJLZLBVUOTH-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331488153 1389766872 /nfs/dbraw/zinc/76/68/72/1389766872.db2.gz IWLCZWZFRXTGHW-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001332874090 1390205890 /nfs/dbraw/zinc/20/58/90/1390205890.db2.gz JZJLSQPFYFVKJM-MRXNPFEDSA-N 2 2 334.508 3.043 20 0 EGADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001332911989 1390214981 /nfs/dbraw/zinc/21/49/81/1390214981.db2.gz QWPQYRCGHAPKCZ-UHFFFAOYSA-N 2 2 337.427 3.060 20 0 EGADLP C[C@H](CC[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)[NH+](C)C ZINC001334376757 1390527304 /nfs/dbraw/zinc/52/73/04/1390527304.db2.gz ZTPNKPUESFXLGM-SNVBAGLBSA-N 2 2 338.345 3.319 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cn3c(cccc3C)n2)[nH+]1 ZINC001335058808 1390636462 /nfs/dbraw/zinc/63/64/62/1390636462.db2.gz COVWALYZUHHRLY-GOSISDBHSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cn3c(cccc3C)n2)[nH+]1 ZINC001335058808 1390636464 /nfs/dbraw/zinc/63/64/64/1390636464.db2.gz COVWALYZUHHRLY-GOSISDBHSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)c2c(F)cccc2F)[nH+]1 ZINC001335063510 1390637171 /nfs/dbraw/zinc/63/71/71/1390637171.db2.gz ZVQZRDFNQDLYCD-PBHICJAKSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)c2c(F)cccc2F)[nH+]1 ZINC001335063510 1390637173 /nfs/dbraw/zinc/63/71/73/1390637173.db2.gz ZVQZRDFNQDLYCD-PBHICJAKSA-N 2 2 347.409 3.278 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccccc1 ZINC001346122421 1390909300 /nfs/dbraw/zinc/90/93/00/1390909300.db2.gz IYEHFDQLLFCIAN-MOPGFXCFSA-N 2 2 339.414 3.166 20 0 EGADLP CC[NH+](CC)CC[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001353497577 1392024326 /nfs/dbraw/zinc/02/43/26/1392024326.db2.gz LCMXTNSHABVXCJ-FUHWJXTLSA-N 2 2 342.487 3.168 20 0 EGADLP CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CC2CCC2)CC1 ZINC001479994938 1392526952 /nfs/dbraw/zinc/52/69/52/1392526952.db2.gz DWQYBFOGZFCQRV-QGZVFWFLSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001480162213 1392605838 /nfs/dbraw/zinc/60/58/38/1392605838.db2.gz MTEFPIFINXIYGV-KBAYOESNSA-N 2 2 332.492 3.041 20 0 EGADLP CCC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481140857 1393131484 /nfs/dbraw/zinc/13/14/84/1393131484.db2.gz XYFHOPDIEJFOCX-QGZVFWFLSA-N 2 2 348.535 3.100 20 0 EGADLP CCC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481140857 1393131485 /nfs/dbraw/zinc/13/14/85/1393131485.db2.gz XYFHOPDIEJFOCX-QGZVFWFLSA-N 2 2 348.535 3.100 20 0 EGADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H](C)c1ccccc1 ZINC001481831708 1394550223 /nfs/dbraw/zinc/55/02/23/1394550223.db2.gz BZFZORRNRGBKQC-RDJZCZTQSA-N 2 2 336.439 3.194 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001496353507 1396663045 /nfs/dbraw/zinc/66/30/45/1396663045.db2.gz YUVYOBLNCZCWJS-DOTOQJQBSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001689902930 1404196491 /nfs/dbraw/zinc/19/64/91/1404196491.db2.gz OXWGGVQLCFOWOY-MHCXUBMFSA-N 2 2 346.862 3.288 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001690534005 1404624730 /nfs/dbraw/zinc/62/47/30/1404624730.db2.gz FFDYKGOMZOQERG-KLAILNCOSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001690534005 1404624731 /nfs/dbraw/zinc/62/47/31/1404624731.db2.gz FFDYKGOMZOQERG-KLAILNCOSA-N 2 2 334.508 3.042 20 0 EGADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001690855910 1404778693 /nfs/dbraw/zinc/77/86/93/1404778693.db2.gz AJCQUVZRHSKVCW-CABCVRRESA-N 2 2 348.878 3.172 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC001691495748 1405303255 /nfs/dbraw/zinc/30/32/55/1405303255.db2.gz WDPYBONKUAHQRA-GJZGRUSLSA-N 2 2 348.878 3.297 20 0 EGADLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001698607902 1406236819 /nfs/dbraw/zinc/23/68/19/1406236819.db2.gz MEZMROJRRKGUJZ-KRWDZBQOSA-N 2 2 348.535 3.054 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001732134355 1428380797 /nfs/dbraw/zinc/38/07/97/1428380797.db2.gz PEZFCKOVQPUIMJ-QFBILLFUSA-N 2 2 340.471 3.034 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(F)c1 ZINC001732204120 1428454003 /nfs/dbraw/zinc/45/40/03/1428454003.db2.gz CHZSQDGWIANSQA-INIZCTEOSA-N 2 2 340.402 3.000 20 0 EGADLP C[C@@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001699475566 1412867803 /nfs/dbraw/zinc/86/78/03/1412867803.db2.gz FDEHBBLERHSRIX-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC001699475566 1412867809 /nfs/dbraw/zinc/86/78/09/1412867809.db2.gz FDEHBBLERHSRIX-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001699876763 1413336163 /nfs/dbraw/zinc/33/61/63/1413336163.db2.gz IVQFZFBSQRRPRR-HXUWFJFHSA-N 2 2 348.535 3.305 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001699876763 1413336168 /nfs/dbraw/zinc/33/61/68/1413336168.db2.gz IVQFZFBSQRRPRR-HXUWFJFHSA-N 2 2 348.535 3.305 20 0 EGADLP CN(CCC[N@H+](C)CCC1CCCCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001700194154 1413630352 /nfs/dbraw/zinc/63/03/52/1413630352.db2.gz QPOORGLMNJMDIY-UHFFFAOYSA-N 2 2 334.508 3.093 20 0 EGADLP CN(CCC[N@@H+](C)CCC1CCCCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001700194154 1413630353 /nfs/dbraw/zinc/63/03/53/1413630353.db2.gz QPOORGLMNJMDIY-UHFFFAOYSA-N 2 2 334.508 3.093 20 0 EGADLP C[C@@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]Cc1ccccc1 ZINC001700762082 1414434739 /nfs/dbraw/zinc/43/47/39/1414434739.db2.gz FWESKIOROAROTH-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714048449 1418845981 /nfs/dbraw/zinc/84/59/81/1418845981.db2.gz BOMQQJWBESXACZ-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001714048449 1418845983 /nfs/dbraw/zinc/84/59/83/1418845983.db2.gz BOMQQJWBESXACZ-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131460 1418934898 /nfs/dbraw/zinc/93/48/98/1418934898.db2.gz MPEUUUURCGRETH-KRWDZBQOSA-N 2 2 342.487 3.355 20 0 EGADLP CC1(C)CCC(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CCCC2)CC1 ZINC001714507088 1419233972 /nfs/dbraw/zinc/23/39/72/1419233972.db2.gz PFAXFCHRVHBNFJ-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553822 1419281153 /nfs/dbraw/zinc/28/11/53/1419281153.db2.gz YVVTWNSATPZHRU-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001714553822 1419281156 /nfs/dbraw/zinc/28/11/56/1419281156.db2.gz YVVTWNSATPZHRU-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714864726 1419590781 /nfs/dbraw/zinc/59/07/81/1419590781.db2.gz PIISCMRHXIIWSK-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714864726 1419590785 /nfs/dbraw/zinc/59/07/85/1419590785.db2.gz PIISCMRHXIIWSK-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001715533060 1420225017 /nfs/dbraw/zinc/22/50/17/1420225017.db2.gz QLLXUTBIANSXDN-QFBILLFUSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001715533060 1420225018 /nfs/dbraw/zinc/22/50/18/1420225018.db2.gz QLLXUTBIANSXDN-QFBILLFUSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001715533060 1420225020 /nfs/dbraw/zinc/22/50/20/1420225020.db2.gz QLLXUTBIANSXDN-QFBILLFUSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001715533060 1420225022 /nfs/dbraw/zinc/22/50/22/1420225022.db2.gz QLLXUTBIANSXDN-QFBILLFUSA-N 2 2 342.487 3.130 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001716478987 1420694613 /nfs/dbraw/zinc/69/46/13/1420694613.db2.gz WZVHIPGDELSKBC-HZPDHXFCSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001716478987 1420694615 /nfs/dbraw/zinc/69/46/15/1420694615.db2.gz WZVHIPGDELSKBC-HZPDHXFCSA-N 2 2 344.503 3.375 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330970 1421265674 /nfs/dbraw/zinc/26/56/74/1421265674.db2.gz CHYYRKVBQQWLQV-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330970 1421265678 /nfs/dbraw/zinc/26/56/78/1421265678.db2.gz CHYYRKVBQQWLQV-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330970 1421265679 /nfs/dbraw/zinc/26/56/79/1421265679.db2.gz CHYYRKVBQQWLQV-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330970 1421265681 /nfs/dbraw/zinc/26/56/81/1421265681.db2.gz CHYYRKVBQQWLQV-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001733361538 1429545780 /nfs/dbraw/zinc/54/57/80/1429545780.db2.gz ZXXMAVWCYNWGGG-ZWKOTPCHSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189168 1425729800 /nfs/dbraw/zinc/72/98/00/1425729800.db2.gz WQMZHPHAXPTYHJ-HOTGVXAUSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189168 1425729804 /nfs/dbraw/zinc/72/98/04/1425729804.db2.gz WQMZHPHAXPTYHJ-HOTGVXAUSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001731603114 1427647190 /nfs/dbraw/zinc/64/71/90/1427647190.db2.gz YVWUHHRBDMFIKJ-RHSMWYFYSA-N 2 2 336.439 3.422 20 0 EGADLP CC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CC1CCCCC1 ZINC001731803775 1427971449 /nfs/dbraw/zinc/97/14/49/1427971449.db2.gz UGRJAWNJSKIZTN-UHFFFAOYSA-N 2 2 342.487 3.275 20 0 EGADLP CC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CC1CCCCC1 ZINC001731803775 1427971451 /nfs/dbraw/zinc/97/14/51/1427971451.db2.gz UGRJAWNJSKIZTN-UHFFFAOYSA-N 2 2 342.487 3.275 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761723 1429977040 /nfs/dbraw/zinc/97/70/40/1429977040.db2.gz YQKCOYCJPDGFIY-SJLPKXTDSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761723 1429977042 /nfs/dbraw/zinc/97/70/42/1429977042.db2.gz YQKCOYCJPDGFIY-SJLPKXTDSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761723 1429977044 /nfs/dbraw/zinc/97/70/44/1429977044.db2.gz YQKCOYCJPDGFIY-SJLPKXTDSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761723 1429977046 /nfs/dbraw/zinc/97/70/46/1429977046.db2.gz YQKCOYCJPDGFIY-SJLPKXTDSA-N 2 2 340.471 3.074 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734020876 1437809812 /nfs/dbraw/zinc/80/98/12/1437809812.db2.gz TWEISPPMZIHVSO-UHFFFAOYSA-N 2 2 328.460 3.051 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752993002 1440260346 /nfs/dbraw/zinc/26/03/46/1440260346.db2.gz YCRMDCPSJAEVCL-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752993002 1440260347 /nfs/dbraw/zinc/26/03/47/1440260347.db2.gz YCRMDCPSJAEVCL-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752993002 1440260348 /nfs/dbraw/zinc/26/03/48/1440260348.db2.gz YCRMDCPSJAEVCL-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752993002 1440260349 /nfs/dbraw/zinc/26/03/49/1440260349.db2.gz YCRMDCPSJAEVCL-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)c1cccc2[nH+]ccn21 ZINC001753031692 1440273136 /nfs/dbraw/zinc/27/31/36/1440273136.db2.gz ZNQARVRACKUPTI-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(NCCC[C@@H]1CCC[N@H+]1CC1CCC1)c1cccc2[nH+]ccn21 ZINC001753031692 1440273137 /nfs/dbraw/zinc/27/31/37/1440273137.db2.gz ZNQARVRACKUPTI-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329504 1440368642 /nfs/dbraw/zinc/36/86/42/1440368642.db2.gz CHQIQHQQQRWRSJ-KSSFIOAISA-N 2 2 331.504 3.495 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329504 1440368643 /nfs/dbraw/zinc/36/86/43/1440368643.db2.gz CHQIQHQQQRWRSJ-KSSFIOAISA-N 2 2 331.504 3.495 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753442682 1440402375 /nfs/dbraw/zinc/40/23/75/1440402375.db2.gz IJTSNBOVTQYDPL-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753442682 1440402376 /nfs/dbraw/zinc/40/23/76/1440402376.db2.gz IJTSNBOVTQYDPL-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[C@H]1CCCC[C@]1(C[NH2+]CCC1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001753537584 1440432953 /nfs/dbraw/zinc/43/29/53/1440432953.db2.gz MONMLCLGOMIFLV-FXAWDEMLSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1CC[NH+](CC2CCCCC2)CC1 ZINC001753599147 1440445765 /nfs/dbraw/zinc/44/57/65/1440445765.db2.gz FLGCSUPRPMJBDB-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753702205 1440468813 /nfs/dbraw/zinc/46/88/13/1440468813.db2.gz WADTXVZBUSUBIR-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001753758155 1440483490 /nfs/dbraw/zinc/48/34/90/1440483490.db2.gz APSUPKKHNVKWDC-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001753758153 1440483544 /nfs/dbraw/zinc/48/35/44/1440483544.db2.gz APSUPKKHNVKWDC-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C=C/Cl)c(C)[nH+]1 ZINC001753890993 1440521965 /nfs/dbraw/zinc/52/19/65/1440521965.db2.gz GANSFNYISMIXCQ-AUPUMLSVSA-N 2 2 335.879 3.247 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)CCc1c[nH]c[nH+]1 ZINC001754048169 1440535539 /nfs/dbraw/zinc/53/55/39/1440535539.db2.gz GMGLCEJGYOEQGT-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)CCc1c[nH+]c[nH]1 ZINC001754048169 1440535540 /nfs/dbraw/zinc/53/55/40/1440535540.db2.gz GMGLCEJGYOEQGT-KRWDZBQOSA-N 2 2 342.487 3.158 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754137720 1440543984 /nfs/dbraw/zinc/54/39/84/1440543984.db2.gz NGEITWKCOKIQLI-FOSCPCJNSA-N 2 2 328.460 3.121 20 0 EGADLP C[C@H](C[N@H+](C)CCCC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320574 1440577839 /nfs/dbraw/zinc/57/78/39/1440577839.db2.gz WSZZIMNLUZCXAT-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@H](C[N@@H+](C)CCCC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320574 1440577840 /nfs/dbraw/zinc/57/78/40/1440577840.db2.gz WSZZIMNLUZCXAT-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@](C)(C[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001754700799 1440667902 /nfs/dbraw/zinc/66/79/02/1440667902.db2.gz KVZXHAKBVBCHJW-FZMUQLTDSA-N 2 2 335.879 3.201 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC2(C)CC[NH+](CCC(C)C)CC2)c[nH+]1 ZINC001754717729 1440672032 /nfs/dbraw/zinc/67/20/32/1440672032.db2.gz CLTZRILZYSUTOE-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001754721532 1440673534 /nfs/dbraw/zinc/67/35/34/1440673534.db2.gz RNFCOAAZVTYDRK-MRXNPFEDSA-N 2 2 348.535 3.161 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001755034128 1440733291 /nfs/dbraw/zinc/73/32/91/1440733291.db2.gz LWEPWEBGPZLMCN-GOSISDBHSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001755034128 1440733292 /nfs/dbraw/zinc/73/32/92/1440733292.db2.gz LWEPWEBGPZLMCN-GOSISDBHSA-N 2 2 334.508 3.070 20 0 EGADLP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001755070344 1440746269 /nfs/dbraw/zinc/74/62/69/1440746269.db2.gz BKJYCLYTXUMJTH-VOTSOKGWSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001755143749 1440762279 /nfs/dbraw/zinc/76/22/79/1440762279.db2.gz OQFXUJFQFVWINX-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001755143749 1440762280 /nfs/dbraw/zinc/76/22/80/1440762280.db2.gz OQFXUJFQFVWINX-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)CCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001755175704 1440770707 /nfs/dbraw/zinc/77/07/07/1440770707.db2.gz DOOZMWMFZSUQLH-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N(C)C1CCC([NH2+]CCC(C)C)CC1 ZINC001755275264 1440798783 /nfs/dbraw/zinc/79/87/83/1440798783.db2.gz RVHKCHUUQIFBKO-UHFFFAOYSA-N 2 2 347.503 3.038 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307396 1440811704 /nfs/dbraw/zinc/81/17/04/1440811704.db2.gz DVYHRLRMJWWLSR-MOEXGYKKSA-N 2 2 328.460 3.131 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307396 1440811705 /nfs/dbraw/zinc/81/17/05/1440811705.db2.gz DVYHRLRMJWWLSR-MOEXGYKKSA-N 2 2 328.460 3.131 20 0 EGADLP C[C@@H](CC(=O)NC1(C[NH2+]CC2CCC2)CCCCC1)n1cc[nH+]c1 ZINC001755353976 1440828728 /nfs/dbraw/zinc/82/87/28/1440828728.db2.gz CZQMEUIZLPDTEL-INIZCTEOSA-N 2 2 332.492 3.043 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]Cc2ccsc2)c[nH+]1 ZINC001755506178 1440863053 /nfs/dbraw/zinc/86/30/53/1440863053.db2.gz HDSUKUBONZWMFL-CQSZACIVSA-N 2 2 348.516 3.063 20 0 EGADLP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755562540 1440874826 /nfs/dbraw/zinc/87/48/26/1440874826.db2.gz PYAKXBKCQIFYEH-GOSISDBHSA-N 2 2 340.471 3.049 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001755590481 1440881465 /nfs/dbraw/zinc/88/14/65/1440881465.db2.gz OKBDPXHHSIVHFM-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001755610825 1440886948 /nfs/dbraw/zinc/88/69/48/1440886948.db2.gz JFDINYPRWDGGEL-CZUORRHYSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)ccn12 ZINC001755822374 1440926066 /nfs/dbraw/zinc/92/60/66/1440926066.db2.gz QFQRQEDJMFRLFW-XJKSGUPXSA-N 2 2 348.466 3.125 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530182 282173057 /nfs/dbraw/zinc/17/30/57/282173057.db2.gz AOQBYWRYFCKWKE-SJORKVTESA-N 2 2 347.507 3.157 20 0 EGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000188259287 282221929 /nfs/dbraw/zinc/22/19/29/282221929.db2.gz FKVONDWVZWWNTN-HOTGVXAUSA-N 2 2 325.460 3.056 20 0 EGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Cl ZINC000174715271 529887696 /nfs/dbraw/zinc/88/76/96/529887696.db2.gz IRTBBZIAFHGMSE-UHFFFAOYSA-N 2 2 330.303 3.063 20 0 EGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Cl ZINC000174715271 529887697 /nfs/dbraw/zinc/88/76/97/529887697.db2.gz IRTBBZIAFHGMSE-UHFFFAOYSA-N 2 2 330.303 3.063 20 0 EGADLP CN(C)c1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000677749321 549325954 /nfs/dbraw/zinc/32/59/54/549325954.db2.gz XOXOZIQGQCHZBB-IBGZPJMESA-N 2 2 338.499 3.290 20 0 EGADLP CN(C)c1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000677749321 549325958 /nfs/dbraw/zinc/32/59/58/549325958.db2.gz XOXOZIQGQCHZBB-IBGZPJMESA-N 2 2 338.499 3.290 20 0 EGADLP C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129116757 223024313 /nfs/dbraw/zinc/02/43/13/223024313.db2.gz VIECSBLFASPIFO-KRWDZBQOSA-N 2 2 340.471 3.316 20 0 EGADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCC[NH+](C)C ZINC000072713438 216297678 /nfs/dbraw/zinc/29/76/78/216297678.db2.gz MVAKLJIFLYDLBW-UHFFFAOYSA-N 2 2 338.858 3.074 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000131774115 223271806 /nfs/dbraw/zinc/27/18/06/223271806.db2.gz FEFGPYDNAVMCPD-WDEREUQCSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000131774115 223271809 /nfs/dbraw/zinc/27/18/09/223271809.db2.gz FEFGPYDNAVMCPD-WDEREUQCSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000132019913 223292738 /nfs/dbraw/zinc/29/27/38/223292738.db2.gz YMJUOPULGMTDQJ-GDBMZVCRSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000132019913 223292740 /nfs/dbraw/zinc/29/27/40/223292740.db2.gz YMJUOPULGMTDQJ-GDBMZVCRSA-N 2 2 332.879 3.216 20 0 EGADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262643774 245088465 /nfs/dbraw/zinc/08/84/65/245088465.db2.gz UDTABXDKSGRPQV-QAPCUYQASA-N 2 2 325.412 3.121 20 0 EGADLP Cc1ccc2oc(NC3CC[NH+](C4CC[NH+](C)CC4)CC3)nc2c1 ZINC000265139629 247240151 /nfs/dbraw/zinc/24/01/51/247240151.db2.gz PVPQORMZBAHUDB-UHFFFAOYSA-N 2 2 328.460 3.107 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012384 /nfs/dbraw/zinc/01/23/84/169012384.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012385 /nfs/dbraw/zinc/01/23/85/169012385.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012387 /nfs/dbraw/zinc/01/23/87/169012387.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337846 169012388 /nfs/dbraw/zinc/01/23/88/169012388.db2.gz QNMJBWDYZYNRPO-SFTDATJTSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000377621190 169049698 /nfs/dbraw/zinc/04/96/98/169049698.db2.gz FJDHBOGHDCABIK-SJORKVTESA-N 2 2 342.443 3.093 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000377647467 169054795 /nfs/dbraw/zinc/05/47/95/169054795.db2.gz IQXDQTOWCRRVKX-UHFFFAOYSA-N 2 2 328.441 3.143 20 0 EGADLP CCC[NH+]1CCC(N(C)Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000092165601 218125040 /nfs/dbraw/zinc/12/50/40/218125040.db2.gz LRFQGKDBVYLCEM-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000092165601 218125043 /nfs/dbraw/zinc/12/50/43/218125043.db2.gz LRFQGKDBVYLCEM-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000092165601 218125046 /nfs/dbraw/zinc/12/50/46/218125046.db2.gz LRFQGKDBVYLCEM-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000093664053 218241264 /nfs/dbraw/zinc/24/12/64/218241264.db2.gz SYJPNXMCMSYCIK-SFHVURJKSA-N 2 2 340.467 3.003 20 0 EGADLP COc1ccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000093664053 218241266 /nfs/dbraw/zinc/24/12/66/218241266.db2.gz SYJPNXMCMSYCIK-SFHVURJKSA-N 2 2 340.467 3.003 20 0 EGADLP C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095423046 218364769 /nfs/dbraw/zinc/36/47/69/218364769.db2.gz TXFIRYLMQQTCSD-KBXCAEBGSA-N 2 2 327.453 3.492 20 0 EGADLP COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267400928 251023255 /nfs/dbraw/zinc/02/32/55/251023255.db2.gz QWPNZLNIVMRNBL-KRWDZBQOSA-N 2 2 334.423 3.265 20 0 EGADLP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000267400928 251023258 /nfs/dbraw/zinc/02/32/58/251023258.db2.gz QWPNZLNIVMRNBL-KRWDZBQOSA-N 2 2 334.423 3.265 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758684 252209326 /nfs/dbraw/zinc/20/93/26/252209326.db2.gz GDXFICYZZYIBGF-BIENJYKASA-N 2 2 342.487 3.104 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758684 252209328 /nfs/dbraw/zinc/20/93/28/252209328.db2.gz GDXFICYZZYIBGF-BIENJYKASA-N 2 2 342.487 3.104 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)nnn1-c1ccc(Cl)cc1 ZINC000268793234 252245608 /nfs/dbraw/zinc/24/56/08/252245608.db2.gz DZORGRJLHNOLEW-STQMWFEESA-N 2 2 344.850 3.165 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797833 252250469 /nfs/dbraw/zinc/25/04/69/252250469.db2.gz FKGXVMUERAOTEI-FXAWDEMLSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797833 252250472 /nfs/dbraw/zinc/25/04/72/252250472.db2.gz FKGXVMUERAOTEI-FXAWDEMLSA-N 2 2 337.467 3.125 20 0 EGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268846200 252294011 /nfs/dbraw/zinc/29/40/11/252294011.db2.gz BONYGGUHHCSQFI-JKSUJKDBSA-N 2 2 341.952 3.046 20 0 EGADLP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268846200 252294015 /nfs/dbraw/zinc/29/40/15/252294015.db2.gz BONYGGUHHCSQFI-JKSUJKDBSA-N 2 2 341.952 3.046 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cnn1C ZINC000268855838 252302891 /nfs/dbraw/zinc/30/28/91/252302891.db2.gz XLXCOXQFGHSOBH-OAHLLOKOSA-N 2 2 344.478 3.225 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000153711371 224145477 /nfs/dbraw/zinc/14/54/77/224145477.db2.gz BWLCNCNNZIGZJH-PMUMKWKESA-N 3 2 330.451 3.138 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000153711371 224145480 /nfs/dbraw/zinc/14/54/80/224145480.db2.gz BWLCNCNNZIGZJH-PMUMKWKESA-N 3 2 330.451 3.138 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000153711155 224145663 /nfs/dbraw/zinc/14/56/63/224145663.db2.gz BWLCNCNNZIGZJH-SUNYJGFJSA-N 3 2 330.451 3.138 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000153711155 224145665 /nfs/dbraw/zinc/14/56/65/224145665.db2.gz BWLCNCNNZIGZJH-SUNYJGFJSA-N 3 2 330.451 3.138 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@@H+]1C1CC1 ZINC000119471723 221328444 /nfs/dbraw/zinc/32/84/44/221328444.db2.gz PWPNVNOIYLKTMQ-DOMZBBRYSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@H+]1C1CC1 ZINC000119471723 221328445 /nfs/dbraw/zinc/32/84/45/221328445.db2.gz PWPNVNOIYLKTMQ-DOMZBBRYSA-N 2 2 346.862 3.147 20 0 EGADLP CCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000328650211 258019970 /nfs/dbraw/zinc/01/99/70/258019970.db2.gz VKCVJJLOJXMOMT-KRWDZBQOSA-N 2 2 345.512 3.462 20 0 EGADLP CCOc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000328650211 258019972 /nfs/dbraw/zinc/01/99/72/258019972.db2.gz VKCVJJLOJXMOMT-KRWDZBQOSA-N 2 2 345.512 3.462 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171734475 533454516 /nfs/dbraw/zinc/45/45/16/533454516.db2.gz NRIPFYWCYSSOBV-ZDUSSCGKSA-N 2 2 333.407 3.221 20 0 EGADLP C[C@@H](CC[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237565716 141008423 /nfs/dbraw/zinc/00/84/23/141008423.db2.gz YZLBHRPDIAGXFO-AVRDEDQJSA-N 2 2 338.495 3.189 20 0 EGADLP C[C@@H](CC[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237565716 141008425 /nfs/dbraw/zinc/00/84/25/141008425.db2.gz YZLBHRPDIAGXFO-AVRDEDQJSA-N 2 2 338.495 3.189 20 0 EGADLP Cc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246819890 141036877 /nfs/dbraw/zinc/03/68/77/141036877.db2.gz BCKDNNGGCHUNHW-NQIIRXRSSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246819890 141036879 /nfs/dbraw/zinc/03/68/79/141036879.db2.gz BCKDNNGGCHUNHW-NQIIRXRSSA-N 2 2 339.483 3.269 20 0 EGADLP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000350515958 141251218 /nfs/dbraw/zinc/25/12/18/141251218.db2.gz PFULMVHCLDCNMN-HNNXBMFYSA-N 2 2 346.906 3.259 20 0 EGADLP Fc1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc4[nH+]ccn43)CCO2)cc1 ZINC000350549025 141252406 /nfs/dbraw/zinc/25/24/06/141252406.db2.gz ASUWLHSDYHGJBM-AEFFLSMTSA-N 2 2 325.387 3.483 20 0 EGADLP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1F ZINC000352948799 141275397 /nfs/dbraw/zinc/27/53/97/141275397.db2.gz UQYHKBBHEAJLCG-QZTJIDSGSA-N 2 2 333.495 3.125 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c[nH+]1 ZINC000353445922 141297571 /nfs/dbraw/zinc/29/75/71/141297571.db2.gz DLCCSVBPTXGBMY-UHFFFAOYSA-N 2 2 343.496 3.232 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c[nH+]1 ZINC000353445922 141297574 /nfs/dbraw/zinc/29/75/74/141297574.db2.gz DLCCSVBPTXGBMY-UHFFFAOYSA-N 2 2 343.496 3.232 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c[nH+]1 ZINC000353458829 141301560 /nfs/dbraw/zinc/30/15/60/141301560.db2.gz LBHOAXIRAVHTEF-OALUTQOASA-N 3 2 345.531 3.144 20 0 EGADLP CC1CC[NH+](CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356846009 141353089 /nfs/dbraw/zinc/35/30/89/141353089.db2.gz IVZHHLYSHSBQJW-UHFFFAOYSA-N 3 2 335.458 3.115 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)nnn1-c1ccc(C)cc1 ZINC000359630670 141391866 /nfs/dbraw/zinc/39/18/66/141391866.db2.gz HADSFOPKRNULLM-INIZCTEOSA-N 2 2 329.492 3.265 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)nnn1-c1ccc(C)cc1 ZINC000359630670 141391868 /nfs/dbraw/zinc/39/18/68/141391868.db2.gz HADSFOPKRNULLM-INIZCTEOSA-N 2 2 329.492 3.265 20 0 EGADLP COC(C)(C)[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000340477048 292077519 /nfs/dbraw/zinc/07/75/19/292077519.db2.gz DNPMGIQFBLFQMK-IRXDYDNUSA-N 2 2 334.504 3.290 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000174691961 144050386 /nfs/dbraw/zinc/05/03/86/144050386.db2.gz VLANCFLFPLFQBM-UHFFFAOYSA-N 2 2 326.444 3.146 20 0 EGADLP [NH3+][C@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccccc1 ZINC000178657428 144074574 /nfs/dbraw/zinc/07/45/74/144074574.db2.gz YJPBKOFKTMQYCG-IBGZPJMESA-N 2 2 334.423 3.401 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000186423841 144133067 /nfs/dbraw/zinc/13/30/67/144133067.db2.gz OWUZMJHUFMYCNI-SFHVURJKSA-N 2 2 339.483 3.242 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000186423841 144133068 /nfs/dbraw/zinc/13/30/68/144133068.db2.gz OWUZMJHUFMYCNI-SFHVURJKSA-N 2 2 339.483 3.242 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755543 144164424 /nfs/dbraw/zinc/16/44/24/144164424.db2.gz REUPFFVYYIXRFY-RTWAWAEBSA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755543 144164426 /nfs/dbraw/zinc/16/44/26/144164426.db2.gz REUPFFVYYIXRFY-RTWAWAEBSA-N 2 2 342.458 3.286 20 0 EGADLP COc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1OC(C)C ZINC000347033882 144251690 /nfs/dbraw/zinc/25/16/90/144251690.db2.gz BGOALCYALIYMAJ-UHFFFAOYSA-N 2 2 332.488 3.446 20 0 EGADLP c1cn(Cc2ccc(NCc3cnc(-c4ccncc4)s3)[nH+]c2)c[nH+]1 ZINC000351541615 144276446 /nfs/dbraw/zinc/27/64/46/144276446.db2.gz BUAAQZYARZVHIF-UHFFFAOYSA-N 2 2 348.435 3.457 20 0 EGADLP CC(C)COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351570044 144281695 /nfs/dbraw/zinc/28/16/95/144281695.db2.gz VCKLGJDFSWWTIG-UHFFFAOYSA-N 2 2 336.439 3.395 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000351732952 144298463 /nfs/dbraw/zinc/29/84/63/144298463.db2.gz WUESLURBRGNPMV-GOSISDBHSA-N 2 2 344.528 3.396 20 0 EGADLP Cn1cc(Br)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351771808 144304336 /nfs/dbraw/zinc/30/43/36/144304336.db2.gz HAIDGNQVQGULSH-CQSZACIVSA-N 2 2 328.298 3.094 20 0 EGADLP Cn1cc(Br)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351771808 144304338 /nfs/dbraw/zinc/30/43/38/144304338.db2.gz HAIDGNQVQGULSH-CQSZACIVSA-N 2 2 328.298 3.094 20 0 EGADLP Cn1cc(Br)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000351771808 144304340 /nfs/dbraw/zinc/30/43/40/144304340.db2.gz HAIDGNQVQGULSH-CQSZACIVSA-N 2 2 328.298 3.094 20 0 EGADLP Cn1cc(Br)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000351771808 144304342 /nfs/dbraw/zinc/30/43/42/144304342.db2.gz HAIDGNQVQGULSH-CQSZACIVSA-N 2 2 328.298 3.094 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860595 144317137 /nfs/dbraw/zinc/31/71/37/144317137.db2.gz JHAFWMAICNELHV-IRXDYDNUSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860595 144317138 /nfs/dbraw/zinc/31/71/38/144317138.db2.gz JHAFWMAICNELHV-IRXDYDNUSA-N 2 2 329.488 3.021 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878638 144319733 /nfs/dbraw/zinc/31/97/33/144319733.db2.gz FJEYBKVQUZMDRK-LEWJYISDSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878638 144319734 /nfs/dbraw/zinc/31/97/34/144319734.db2.gz FJEYBKVQUZMDRK-LEWJYISDSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000351878638 144319735 /nfs/dbraw/zinc/31/97/35/144319735.db2.gz FJEYBKVQUZMDRK-LEWJYISDSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000351878638 144319736 /nfs/dbraw/zinc/31/97/36/144319736.db2.gz FJEYBKVQUZMDRK-LEWJYISDSA-N 2 2 336.483 3.272 20 0 EGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CC)C(=O)OCC ZINC000361652612 144344193 /nfs/dbraw/zinc/34/41/93/144344193.db2.gz GIVJXSWOZKWVGE-SFHVURJKSA-N 2 2 329.444 3.426 20 0 EGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](CC)C(=O)OCC ZINC000361652612 144344195 /nfs/dbraw/zinc/34/41/95/144344195.db2.gz GIVJXSWOZKWVGE-SFHVURJKSA-N 2 2 329.444 3.426 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C12CCCCC2 ZINC000344069385 286284291 /nfs/dbraw/zinc/28/42/91/286284291.db2.gz HTEBZJDJKHOQMJ-ZACQAIPSSA-N 2 2 326.550 3.141 20 0 EGADLP Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000115384643 152011210 /nfs/dbraw/zinc/01/12/10/152011210.db2.gz UABWMCJNKXXGSX-UHFFFAOYSA-N 2 2 327.428 3.252 20 0 EGADLP Cc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1Oc1cc[nH+]cc1 ZINC000115384643 152011216 /nfs/dbraw/zinc/01/12/16/152011216.db2.gz UABWMCJNKXXGSX-UHFFFAOYSA-N 2 2 327.428 3.252 20 0 EGADLP Cc1ccccc1OCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119083237 152172556 /nfs/dbraw/zinc/17/25/56/152172556.db2.gz QBVZQXYXPZUNGW-UHFFFAOYSA-N 2 2 346.394 3.010 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119351120 152198687 /nfs/dbraw/zinc/19/86/87/152198687.db2.gz NLIMWNFEABVNKL-INIZCTEOSA-N 2 2 326.444 3.422 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119351120 152198696 /nfs/dbraw/zinc/19/86/96/152198696.db2.gz NLIMWNFEABVNKL-INIZCTEOSA-N 2 2 326.444 3.422 20 0 EGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000119536754 152212258 /nfs/dbraw/zinc/21/22/58/152212258.db2.gz PYEDXRBDHGATAP-QGZVFWFLSA-N 2 2 339.483 3.363 20 0 EGADLP Fc1cc(C[NH2+]Cc2nccn2-c2ccccc2)ccc1-n1cc[nH+]c1 ZINC000190870081 153163633 /nfs/dbraw/zinc/16/36/33/153163633.db2.gz HVSGDFKSBOWQDF-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000191452398 153198416 /nfs/dbraw/zinc/19/84/16/153198416.db2.gz JFJZRPZKPBSGIO-GOSISDBHSA-N 2 2 326.488 3.330 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000191452398 153198420 /nfs/dbraw/zinc/19/84/20/153198420.db2.gz JFJZRPZKPBSGIO-GOSISDBHSA-N 2 2 326.488 3.330 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000191452413 153198716 /nfs/dbraw/zinc/19/87/16/153198716.db2.gz JFJZRPZKPBSGIO-SFHVURJKSA-N 2 2 326.488 3.330 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000191452413 153198720 /nfs/dbraw/zinc/19/87/20/153198720.db2.gz JFJZRPZKPBSGIO-SFHVURJKSA-N 2 2 326.488 3.330 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000193879447 153311488 /nfs/dbraw/zinc/31/14/88/153311488.db2.gz XSTZJUJFAVZRKJ-UHFFFAOYSA-N 2 2 346.434 3.132 20 0 EGADLP c1csc([C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000193937902 153314037 /nfs/dbraw/zinc/31/40/37/153314037.db2.gz DGRFQHYYJUKMFZ-JOCBIADPSA-N 2 2 332.513 3.432 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C[C@@H]2C1 ZINC000194535379 153343874 /nfs/dbraw/zinc/34/38/74/153343874.db2.gz NUVNVIDUICZOHI-OKILXGFUSA-N 2 2 339.266 3.263 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C[C@@H]2C1 ZINC000194535379 153343878 /nfs/dbraw/zinc/34/38/78/153343878.db2.gz NUVNVIDUICZOHI-OKILXGFUSA-N 2 2 339.266 3.263 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C[C@@H]2C1 ZINC000194535379 153343880 /nfs/dbraw/zinc/34/38/80/153343880.db2.gz NUVNVIDUICZOHI-OKILXGFUSA-N 2 2 339.266 3.263 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C[C@@H]2C1 ZINC000194535379 153343882 /nfs/dbraw/zinc/34/38/82/153343882.db2.gz NUVNVIDUICZOHI-OKILXGFUSA-N 2 2 339.266 3.263 20 0 EGADLP C[C@@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305195543 154088634 /nfs/dbraw/zinc/08/86/34/154088634.db2.gz ZFSIETIYYSBKHC-OALUTQOASA-N 2 2 336.907 3.445 20 0 EGADLP C[C@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305195297 154088815 /nfs/dbraw/zinc/08/88/15/154088815.db2.gz ZCYXPBVFNXQVGQ-RBUKOAKNSA-N 2 2 336.907 3.445 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337280997 154257982 /nfs/dbraw/zinc/25/79/82/154257982.db2.gz VSOVKEGGTBOLMO-ZDUSSCGKSA-N 2 2 341.858 3.224 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337280997 154257984 /nfs/dbraw/zinc/25/79/84/154257984.db2.gz VSOVKEGGTBOLMO-ZDUSSCGKSA-N 2 2 341.858 3.224 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337338261 154292780 /nfs/dbraw/zinc/29/27/80/154292780.db2.gz NQXQMZOTRWYOHA-MISYRCLQSA-N 2 2 331.504 3.054 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000337338261 154292783 /nfs/dbraw/zinc/29/27/83/154292783.db2.gz NQXQMZOTRWYOHA-MISYRCLQSA-N 2 2 331.504 3.054 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337340105 154294419 /nfs/dbraw/zinc/29/44/19/154294419.db2.gz PCLGLHCWTNFEHE-HLNWXESRSA-N 2 2 331.504 3.197 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337340105 154294420 /nfs/dbraw/zinc/29/44/20/154294420.db2.gz PCLGLHCWTNFEHE-HLNWXESRSA-N 2 2 331.504 3.197 20 0 EGADLP C[C@@H](CCc1ccco1)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337388696 154326707 /nfs/dbraw/zinc/32/67/07/154326707.db2.gz JNJMEPGZHYFHGZ-ZDUSSCGKSA-N 2 2 334.383 3.237 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346819388 156150151 /nfs/dbraw/zinc/15/01/51/156150151.db2.gz BQDYLMNJYAQNPB-WDEREUQCSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346819388 156150156 /nfs/dbraw/zinc/15/01/56/156150156.db2.gz BQDYLMNJYAQNPB-WDEREUQCSA-N 2 2 329.307 3.340 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000346865855 156170402 /nfs/dbraw/zinc/17/04/02/156170402.db2.gz OITLFJIXCHTCJQ-SJORKVTESA-N 2 2 341.503 3.491 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347036576 156258841 /nfs/dbraw/zinc/25/88/41/156258841.db2.gz HCGBNAYHPYMDCG-CQSZACIVSA-N 2 2 332.879 3.172 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347036576 156258843 /nfs/dbraw/zinc/25/88/43/156258843.db2.gz HCGBNAYHPYMDCG-CQSZACIVSA-N 2 2 332.879 3.172 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000352649335 156398248 /nfs/dbraw/zinc/39/82/48/156398248.db2.gz JSCYIIPIGXZINF-SKTWIKFTSA-N 2 2 334.529 3.263 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000361965055 156959258 /nfs/dbraw/zinc/95/92/58/156959258.db2.gz AXSVCTLPDUZLSU-ZVZYQTTQSA-N 2 2 327.476 3.099 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1O ZINC000362084081 157013845 /nfs/dbraw/zinc/01/38/45/157013845.db2.gz AGFLEIRZQCGNOG-INIZCTEOSA-N 2 2 327.428 3.181 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1 ZINC000362085812 157014992 /nfs/dbraw/zinc/01/49/92/157014992.db2.gz IYDIENXQRBDUOK-IBGZPJMESA-N 2 2 338.455 3.425 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365407353 157115977 /nfs/dbraw/zinc/11/59/77/157115977.db2.gz ZZKWMZCQLBFIMR-OAHLLOKOSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365407353 157115983 /nfs/dbraw/zinc/11/59/83/157115983.db2.gz ZZKWMZCQLBFIMR-OAHLLOKOSA-N 2 2 341.293 3.374 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000365635663 157199307 /nfs/dbraw/zinc/19/93/07/157199307.db2.gz HVHURFCYHPKRPO-OAHLLOKOSA-N 2 2 339.468 3.318 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000365635663 157199308 /nfs/dbraw/zinc/19/93/08/157199308.db2.gz HVHURFCYHPKRPO-OAHLLOKOSA-N 2 2 339.468 3.318 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770247 162026500 /nfs/dbraw/zinc/02/65/00/162026500.db2.gz QTRAUUXMNQBLRT-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770247 162026504 /nfs/dbraw/zinc/02/65/04/162026504.db2.gz QTRAUUXMNQBLRT-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770247 162026507 /nfs/dbraw/zinc/02/65/07/162026507.db2.gz QTRAUUXMNQBLRT-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770247 162026512 /nfs/dbraw/zinc/02/65/12/162026512.db2.gz QTRAUUXMNQBLRT-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793222 162112097 /nfs/dbraw/zinc/11/20/97/162112097.db2.gz IBJMROIEGGPLEV-INIZCTEOSA-N 2 2 345.447 3.014 20 0 EGADLP CC[C@H](CC1CCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114322195 162228370 /nfs/dbraw/zinc/22/83/70/162228370.db2.gz UZYMZGJJDYVPCY-GOSISDBHSA-N 2 2 349.563 3.268 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)c1 ZINC000127289547 162329388 /nfs/dbraw/zinc/32/93/88/162329388.db2.gz PWAZIKLNYGFLLW-IBGZPJMESA-N 2 2 329.488 3.127 20 0 EGADLP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129387720 162355503 /nfs/dbraw/zinc/35/55/03/162355503.db2.gz ILEPCNGCSQQQTA-HNNXBMFYSA-N 2 2 345.874 3.042 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248408558 163001736 /nfs/dbraw/zinc/00/17/36/163001736.db2.gz VPWCEZWYPNDWKN-KXBFYZLASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000248408558 163001739 /nfs/dbraw/zinc/00/17/39/163001739.db2.gz VPWCEZWYPNDWKN-KXBFYZLASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248408558 163001741 /nfs/dbraw/zinc/00/17/41/163001741.db2.gz VPWCEZWYPNDWKN-KXBFYZLASA-N 2 2 346.446 3.061 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000248573378 163016463 /nfs/dbraw/zinc/01/64/63/163016463.db2.gz SBPFPASRIAHJMT-PKOBYXMFSA-N 2 2 331.504 3.231 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000248573378 163016467 /nfs/dbraw/zinc/01/64/67/163016467.db2.gz SBPFPASRIAHJMT-PKOBYXMFSA-N 2 2 331.504 3.231 20 0 EGADLP COc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000338273281 163202394 /nfs/dbraw/zinc/20/23/94/163202394.db2.gz FFFLMNOZEZDXIJ-MZMPZRCHSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000338273281 163202398 /nfs/dbraw/zinc/20/23/98/163202398.db2.gz FFFLMNOZEZDXIJ-MZMPZRCHSA-N 2 2 338.879 3.032 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@@H](C)C1 ZINC000354334347 166005253 /nfs/dbraw/zinc/00/52/53/166005253.db2.gz MULZMEXSWVBVAG-PXNSSMCTSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@@H](C)C1 ZINC000354334347 166005254 /nfs/dbraw/zinc/00/52/54/166005254.db2.gz MULZMEXSWVBVAG-PXNSSMCTSA-N 3 2 333.520 3.049 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000354336650 166005270 /nfs/dbraw/zinc/00/52/70/166005270.db2.gz YFYRGOSMAMFHFU-CAMMJAKZSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000354336650 166005271 /nfs/dbraw/zinc/00/52/71/166005271.db2.gz YFYRGOSMAMFHFU-CAMMJAKZSA-N 2 2 332.488 3.074 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NCCCCC[NH+]3CCCC3)c2c1 ZINC000338757115 163339473 /nfs/dbraw/zinc/33/94/73/163339473.db2.gz NXOHLSWRBXTXQS-UHFFFAOYSA-N 2 2 328.460 3.047 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C[C@@H](C)O1 ZINC000338774956 163345026 /nfs/dbraw/zinc/34/50/26/163345026.db2.gz MHTHCCKOABDUQK-XKGFGPFHSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C[C@@H](C)O1 ZINC000338774956 163345030 /nfs/dbraw/zinc/34/50/30/163345030.db2.gz MHTHCCKOABDUQK-XKGFGPFHSA-N 2 2 345.531 3.475 20 0 EGADLP CSc1ccc([C@H](CNc2cc[nH+]c3ccncc23)[NH+](C)C)cc1 ZINC000338838049 163360239 /nfs/dbraw/zinc/36/02/39/163360239.db2.gz RJCQBNYEKZTFCH-IBGZPJMESA-N 2 2 338.480 3.488 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000342280819 163834986 /nfs/dbraw/zinc/83/49/86/163834986.db2.gz AZGYNWSMBXODKO-KXBFYZLASA-N 2 2 335.455 3.019 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000342280819 163834990 /nfs/dbraw/zinc/83/49/90/163834990.db2.gz AZGYNWSMBXODKO-KXBFYZLASA-N 2 2 335.455 3.019 20 0 EGADLP CC(C)[C@@H]1C[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CCCO1 ZINC000354790251 166032357 /nfs/dbraw/zinc/03/23/57/166032357.db2.gz JVWNLYICRBSIDA-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CCCO1 ZINC000354790251 166032360 /nfs/dbraw/zinc/03/23/60/166032360.db2.gz JVWNLYICRBSIDA-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP CC(C)[C@@H]1C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCO1 ZINC000354790251 166032363 /nfs/dbraw/zinc/03/23/63/166032363.db2.gz JVWNLYICRBSIDA-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP CC(C)[C@@H]1C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCO1 ZINC000354790251 166032365 /nfs/dbraw/zinc/03/23/65/166032365.db2.gz JVWNLYICRBSIDA-INIZCTEOSA-N 2 2 337.533 3.157 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727332 164021124 /nfs/dbraw/zinc/02/11/24/164021124.db2.gz STXWNPFGECFNKQ-TXXUCJGISA-N 2 2 336.479 3.460 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727332 164021125 /nfs/dbraw/zinc/02/11/25/164021125.db2.gz STXWNPFGECFNKQ-TXXUCJGISA-N 2 2 336.479 3.460 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745220 164024380 /nfs/dbraw/zinc/02/43/80/164024380.db2.gz RZAODEBTLRCXQI-LPHOPBHVSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745220 164024382 /nfs/dbraw/zinc/02/43/82/164024382.db2.gz RZAODEBTLRCXQI-LPHOPBHVSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745220 164024384 /nfs/dbraw/zinc/02/43/84/164024384.db2.gz RZAODEBTLRCXQI-LPHOPBHVSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343745220 164024387 /nfs/dbraw/zinc/02/43/87/164024387.db2.gz RZAODEBTLRCXQI-LPHOPBHVSA-N 2 2 347.478 3.127 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988183 164077872 /nfs/dbraw/zinc/07/78/72/164077872.db2.gz YQJLXJQJPFYBAN-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988183 164077874 /nfs/dbraw/zinc/07/78/74/164077874.db2.gz YQJLXJQJPFYBAN-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344289397 164147852 /nfs/dbraw/zinc/14/78/52/164147852.db2.gz KSKVCTYXUYTWQU-ICSRJNTNSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344289397 164147853 /nfs/dbraw/zinc/14/78/53/164147853.db2.gz KSKVCTYXUYTWQU-ICSRJNTNSA-N 2 2 330.516 3.429 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@]3(C)CCCO3)c[nH+]c12 ZINC000344368503 164165304 /nfs/dbraw/zinc/16/53/04/164165304.db2.gz VYIRMGOERUXRQT-HNNXBMFYSA-N 2 2 338.249 3.064 20 0 EGADLP C[C@@H]1[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000345283160 164203155 /nfs/dbraw/zinc/20/31/55/164203155.db2.gz SVQGNUDVFYFWOX-RDTXWAMCSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@@H]1[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000345283160 164203159 /nfs/dbraw/zinc/20/31/59/164203159.db2.gz SVQGNUDVFYFWOX-RDTXWAMCSA-N 2 2 340.427 3.478 20 0 EGADLP C[NH+](C)Cc1cnc(CNc2ccc(N3CCCCC3)c[nH+]2)s1 ZINC000351639849 165108895 /nfs/dbraw/zinc/10/88/95/165108895.db2.gz FSGKKPFNGITFJD-UHFFFAOYSA-N 2 2 331.489 3.202 20 0 EGADLP C[C@@H]1SCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000352031251 165200638 /nfs/dbraw/zinc/20/06/38/165200638.db2.gz ZFPFVDTUNQAEFU-ROUUACIJSA-N 2 2 333.545 3.025 20 0 EGADLP C[C@@H]1SCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000352031251 165200642 /nfs/dbraw/zinc/20/06/42/165200642.db2.gz ZFPFVDTUNQAEFU-ROUUACIJSA-N 2 2 333.545 3.025 20 0 EGADLP CC[C@H](C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[NH+](CC)CC ZINC000352145962 165258524 /nfs/dbraw/zinc/25/85/24/165258524.db2.gz HRUWYSCMOPCCRY-MRXNPFEDSA-N 2 2 348.878 3.262 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000355209065 166133907 /nfs/dbraw/zinc/13/39/07/166133907.db2.gz JOHXLAOYUCBBNX-FUHWJXTLSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000355209065 166133908 /nfs/dbraw/zinc/13/39/08/166133908.db2.gz JOHXLAOYUCBBNX-FUHWJXTLSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1OC(C)C ZINC000355209065 166133911 /nfs/dbraw/zinc/13/39/11/166133911.db2.gz JOHXLAOYUCBBNX-FUHWJXTLSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1OC(C)C ZINC000355209065 166133914 /nfs/dbraw/zinc/13/39/14/166133914.db2.gz JOHXLAOYUCBBNX-FUHWJXTLSA-N 2 2 332.488 3.399 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208403 166134190 /nfs/dbraw/zinc/13/41/90/166134190.db2.gz HVNWUSPQYDTUDC-HYVNUMGLSA-N 2 2 335.517 3.094 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208403 166134191 /nfs/dbraw/zinc/13/41/91/166134191.db2.gz HVNWUSPQYDTUDC-HYVNUMGLSA-N 2 2 335.517 3.094 20 0 EGADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc[nH+]cc2Cl)cc1 ZINC000355667013 166278988 /nfs/dbraw/zinc/27/89/88/166278988.db2.gz KGWZKANSYPUQMK-GOSISDBHSA-N 2 2 331.847 3.415 20 0 EGADLP Cc1c[nH+]ccc1NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000358925465 167007408 /nfs/dbraw/zinc/00/74/08/167007408.db2.gz FDGJKXJKSUYMMM-UHFFFAOYSA-N 2 2 330.435 3.382 20 0 EGADLP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000365957320 168064366 /nfs/dbraw/zinc/06/43/66/168064366.db2.gz WIAWTNRRUXGMGQ-UHFFFAOYSA-N 2 2 349.360 3.472 20 0 EGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(C(C)(C)C)on3)CC2)C[C@@H](C)O1 ZINC000365985888 168068322 /nfs/dbraw/zinc/06/83/22/168068322.db2.gz DXBOYINCGXHFCW-HZPDHXFCSA-N 2 2 349.519 3.293 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437574 168225360 /nfs/dbraw/zinc/22/53/60/168225360.db2.gz IYDMGSSMSGVVCB-CQSZACIVSA-N 2 2 327.428 3.059 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC000367439423 168226304 /nfs/dbraw/zinc/22/63/04/168226304.db2.gz ULTJDHYKQAJOET-OAHLLOKOSA-N 2 2 338.455 3.197 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@H](N[C@@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873808 168279226 /nfs/dbraw/zinc/27/92/26/168279226.db2.gz JOCYSTXESRZLDO-RDJZCZTQSA-N 2 2 341.421 3.048 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000368030295 168300745 /nfs/dbraw/zinc/30/07/45/168300745.db2.gz MTHFUYPEBVTAKM-HXUWFJFHSA-N 2 2 337.467 3.103 20 0 EGADLP Fc1cc(F)cc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000178860043 265347965 /nfs/dbraw/zinc/34/79/65/265347965.db2.gz RYMYTOQHHGUBNP-UHFFFAOYSA-N 2 2 338.321 3.101 20 0 EGADLP CCCCCOc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OC ZINC000194535950 266125881 /nfs/dbraw/zinc/12/58/81/266125881.db2.gz IKUICPXBLDRSMJ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCCCOc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OC ZINC000194535950 266125882 /nfs/dbraw/zinc/12/58/82/266125882.db2.gz IKUICPXBLDRSMJ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCCCOc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OC ZINC000194535950 266125884 /nfs/dbraw/zinc/12/58/84/266125884.db2.gz IKUICPXBLDRSMJ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCCCOc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OC ZINC000194535950 266125885 /nfs/dbraw/zinc/12/58/85/266125885.db2.gz IKUICPXBLDRSMJ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000235483442 266206696 /nfs/dbraw/zinc/20/66/96/266206696.db2.gz SHAMBUBYCBXALT-CYBMUJFWSA-N 2 2 325.294 3.454 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000269884833 266375428 /nfs/dbraw/zinc/37/54/28/266375428.db2.gz BARONCQAJLJODY-GOSISDBHSA-N 2 2 341.524 3.173 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000269884833 266375432 /nfs/dbraw/zinc/37/54/32/266375432.db2.gz BARONCQAJLJODY-GOSISDBHSA-N 2 2 341.524 3.173 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)[nH]1 ZINC000274316521 267215829 /nfs/dbraw/zinc/21/58/29/267215829.db2.gz NWLDDRUAXNNJJY-CQSZACIVSA-N 2 2 325.441 3.308 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)[nH]1 ZINC000274316521 267215830 /nfs/dbraw/zinc/21/58/30/267215830.db2.gz NWLDDRUAXNNJJY-CQSZACIVSA-N 2 2 325.441 3.308 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000274432049 267236109 /nfs/dbraw/zinc/23/61/09/267236109.db2.gz KAWRWSQOEVKBPC-QRQLOZEOSA-N 2 2 328.456 3.346 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000274432049 267236111 /nfs/dbraw/zinc/23/61/11/267236111.db2.gz KAWRWSQOEVKBPC-QRQLOZEOSA-N 2 2 328.456 3.346 20 0 EGADLP Cn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C(F)F)n1 ZINC000274452784 267240479 /nfs/dbraw/zinc/24/04/79/267240479.db2.gz FOECJTVOOXQPSG-UHFFFAOYSA-N 2 2 348.441 3.454 20 0 EGADLP Cn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(C(F)F)n1 ZINC000274452784 267240481 /nfs/dbraw/zinc/24/04/81/267240481.db2.gz FOECJTVOOXQPSG-UHFFFAOYSA-N 2 2 348.441 3.454 20 0 EGADLP CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000274905892 267304631 /nfs/dbraw/zinc/30/46/31/267304631.db2.gz MEJKDMOYJAUTKN-OAHLLOKOSA-N 2 2 346.500 3.266 20 0 EGADLP CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000274905892 267304634 /nfs/dbraw/zinc/30/46/34/267304634.db2.gz MEJKDMOYJAUTKN-OAHLLOKOSA-N 2 2 346.500 3.266 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789971 267868725 /nfs/dbraw/zinc/86/87/25/267868725.db2.gz WCPMPBFCLZMPNE-YSGRDPCXSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789971 267868726 /nfs/dbraw/zinc/86/87/26/267868726.db2.gz WCPMPBFCLZMPNE-YSGRDPCXSA-N 2 2 328.431 3.112 20 0 EGADLP Cn1c(CCC[NH2+]CCCNC(=O)OC(C)(C)C)[nH+]c2ccccc21 ZINC000278525884 268031873 /nfs/dbraw/zinc/03/18/73/268031873.db2.gz TXWOSEZKJQQCQB-UHFFFAOYSA-N 2 2 346.475 3.010 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000089369289 273775150 /nfs/dbraw/zinc/77/51/50/273775150.db2.gz SGYBNSZBUNHFEP-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CO2 ZINC000338006067 275069997 /nfs/dbraw/zinc/06/99/97/275069997.db2.gz CIXRTFQSHWLIRG-FQEVSTJZSA-N 2 2 337.467 3.029 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2)n1 ZINC000119303222 275189933 /nfs/dbraw/zinc/18/99/33/275189933.db2.gz YTCLIEOVXWAUSF-WMLDXEAASA-N 2 2 340.471 3.056 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2)n1 ZINC000119303222 275189934 /nfs/dbraw/zinc/18/99/34/275189934.db2.gz YTCLIEOVXWAUSF-WMLDXEAASA-N 2 2 340.471 3.056 20 0 EGADLP CCCc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000174819943 275199473 /nfs/dbraw/zinc/19/94/73/275199473.db2.gz VZOJJEKZODGEBF-UHFFFAOYSA-N 2 2 346.519 3.129 20 0 EGADLP CCCc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000174819943 275199474 /nfs/dbraw/zinc/19/94/74/275199474.db2.gz VZOJJEKZODGEBF-UHFFFAOYSA-N 2 2 346.519 3.129 20 0 EGADLP CCN(Cc1cccc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184800874 275213321 /nfs/dbraw/zinc/21/33/21/275213321.db2.gz RDWRJYOKGQUKTQ-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CCN(Cc1cccc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184800874 275213323 /nfs/dbraw/zinc/21/33/23/275213323.db2.gz RDWRJYOKGQUKTQ-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(OC)cc1 ZINC000271769732 275238006 /nfs/dbraw/zinc/23/80/06/275238006.db2.gz FBMPXQSJPXZDGJ-IBGZPJMESA-N 2 2 348.487 3.154 20 0 EGADLP CCOC(=O)C1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000271918850 275241497 /nfs/dbraw/zinc/24/14/97/275241497.db2.gz JZVGHGCNJFJSNS-UHFFFAOYSA-N 2 2 341.455 3.143 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2csc(Br)c2)CCCO1 ZINC000277954401 275255413 /nfs/dbraw/zinc/25/54/13/275255413.db2.gz RRSIOOCEIBXUGA-GFCCVEGCSA-N 2 2 347.322 3.101 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc(Br)c2)CCCO1 ZINC000277954401 275255414 /nfs/dbraw/zinc/25/54/14/275255414.db2.gz RRSIOOCEIBXUGA-GFCCVEGCSA-N 2 2 347.322 3.101 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000278748243 275271315 /nfs/dbraw/zinc/27/13/15/275271315.db2.gz RZCYWNXESYFJJA-UHFFFAOYSA-N 2 2 326.396 3.162 20 0 EGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000279714491 275352364 /nfs/dbraw/zinc/35/23/64/275352364.db2.gz LILLRGXTDFFRGK-UWJYYQICSA-N 2 2 339.483 3.412 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000279835757 275364397 /nfs/dbraw/zinc/36/43/97/275364397.db2.gz ZJTPOKKJNOEKTD-NRFANRHFSA-N 2 2 335.451 3.277 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000281390542 275545416 /nfs/dbraw/zinc/54/54/16/275545416.db2.gz OYFXVWBQRMQQFJ-UHFFFAOYSA-N 2 2 327.407 3.387 20 0 EGADLP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000282187656 275609923 /nfs/dbraw/zinc/60/99/23/275609923.db2.gz NDXQJTMUZNDHHV-XKGZKEIXSA-N 2 2 331.504 3.402 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000348305828 276109340 /nfs/dbraw/zinc/10/93/40/276109340.db2.gz APURUGRZDZXOKM-HUUCEWRRSA-N 2 2 346.441 3.436 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)Nc2c(C)cc[nH+]c2C)[NH+](C)C)cc1 ZINC000287455819 276121196 /nfs/dbraw/zinc/12/11/96/276121196.db2.gz IJZSGPOQDABCEL-QGZVFWFLSA-N 2 2 326.444 3.431 20 0 EGADLP COc1ccncc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000287756810 276154472 /nfs/dbraw/zinc/15/44/72/276154472.db2.gz LZVHWCZCFVMDGF-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccncc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000287756810 276154473 /nfs/dbraw/zinc/15/44/73/276154473.db2.gz LZVHWCZCFVMDGF-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287756810 276154474 /nfs/dbraw/zinc/15/44/74/276154474.db2.gz LZVHWCZCFVMDGF-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000287756810 276154475 /nfs/dbraw/zinc/15/44/75/276154475.db2.gz LZVHWCZCFVMDGF-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP Cc1cn[nH]c1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000289503988 276349234 /nfs/dbraw/zinc/34/92/34/276349234.db2.gz MIPAZPSAZNFPKL-UHFFFAOYSA-N 2 2 327.476 3.108 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000289508809 276350197 /nfs/dbraw/zinc/35/01/97/276350197.db2.gz FEPDSJRZKJKAOJ-NVXWUHKLSA-N 2 2 333.501 3.392 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000289508809 276350198 /nfs/dbraw/zinc/35/01/98/276350198.db2.gz FEPDSJRZKJKAOJ-NVXWUHKLSA-N 2 2 333.501 3.392 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc2[nH+]ccn21 ZINC000289539839 276355009 /nfs/dbraw/zinc/35/50/09/276355009.db2.gz WSXNFYPFAZORCC-LJQANCHMSA-N 2 2 349.482 3.216 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc2[nH+]ccn21 ZINC000289539839 276355010 /nfs/dbraw/zinc/35/50/10/276355010.db2.gz WSXNFYPFAZORCC-LJQANCHMSA-N 2 2 349.482 3.216 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000290034998 276437782 /nfs/dbraw/zinc/43/77/82/276437782.db2.gz SDDQOAPIPNHIDV-CABCVRRESA-N 2 2 326.444 3.089 20 0 EGADLP C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H](c1ccccc1)[NH+](C)C ZINC000290736293 276534827 /nfs/dbraw/zinc/53/48/27/276534827.db2.gz PQUGAKFLUYWBNH-KBXCAEBGSA-N 2 2 337.427 3.147 20 0 EGADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)C2 ZINC000290796944 276542793 /nfs/dbraw/zinc/54/27/93/276542793.db2.gz DRDCRRRZVKGSQU-ZDUSSCGKSA-N 2 2 346.862 3.108 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)[C@H]1SC ZINC000291506951 276652921 /nfs/dbraw/zinc/65/29/21/276652921.db2.gz WOUMIHOFNWNZEG-ZWQIFLOQSA-N 2 2 349.544 3.106 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCCc3nn(C)cc32)[NH+](C)C)cc1 ZINC000358925508 276691518 /nfs/dbraw/zinc/69/15/18/276691518.db2.gz FDCBTWALQFSYKZ-ICSRJNTNSA-N 2 2 326.488 3.252 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429177 277072329 /nfs/dbraw/zinc/07/23/29/277072329.db2.gz ZDHNGHNLWLOZMR-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429177 277072330 /nfs/dbraw/zinc/07/23/30/277072330.db2.gz ZDHNGHNLWLOZMR-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429177 277072332 /nfs/dbraw/zinc/07/23/32/277072332.db2.gz ZDHNGHNLWLOZMR-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCCO4)C2)C1 ZINC000339429177 277072333 /nfs/dbraw/zinc/07/23/33/277072333.db2.gz ZDHNGHNLWLOZMR-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000268872331 277101790 /nfs/dbraw/zinc/10/17/90/277101790.db2.gz GINNNODJXLFKAD-WMLDXEAASA-N 2 2 329.513 3.114 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000268872331 277101791 /nfs/dbraw/zinc/10/17/91/277101791.db2.gz GINNNODJXLFKAD-WMLDXEAASA-N 2 2 329.513 3.114 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000360507531 279004821 /nfs/dbraw/zinc/00/48/21/279004821.db2.gz OJZVMMZCEJRDJC-QGZVFWFLSA-N 2 2 335.536 3.116 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1)C1CCCCC1 ZINC000360507531 279004823 /nfs/dbraw/zinc/00/48/23/279004823.db2.gz OJZVMMZCEJRDJC-QGZVFWFLSA-N 2 2 335.536 3.116 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1nncn1C ZINC000348706237 280321316 /nfs/dbraw/zinc/32/13/16/280321316.db2.gz GWSWCYOKACXWKN-NJAFHUGGSA-N 2 2 333.524 3.145 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)nn(C(C)(C)C)c1C)CCC2 ZINC000370675523 292854128 /nfs/dbraw/zinc/85/41/28/292854128.db2.gz FQPLAADBYFROSK-MRXNPFEDSA-N 2 2 329.492 3.427 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCCO2 ZINC000153298308 301212132 /nfs/dbraw/zinc/21/21/32/301212132.db2.gz KJHXBVYBZBMKME-VQIMIIECSA-N 2 2 332.488 3.075 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000125601271 307557380 /nfs/dbraw/zinc/55/73/80/307557380.db2.gz VMEWGTHDYBWMLK-APWZRJJASA-N 2 2 349.438 3.101 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000414077516 309059446 /nfs/dbraw/zinc/05/94/46/309059446.db2.gz RDAGMEXYMLNZBM-AWEZNQCLSA-N 2 2 340.402 3.136 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414079474 309059624 /nfs/dbraw/zinc/05/96/24/309059624.db2.gz CGEDGLVGAISLLB-SJORKVTESA-N 2 2 340.552 3.448 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414110176 309061542 /nfs/dbraw/zinc/06/15/42/309061542.db2.gz HWOQSIYYNBQKNL-YTQUADARSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414110176 309061543 /nfs/dbraw/zinc/06/15/43/309061543.db2.gz HWOQSIYYNBQKNL-YTQUADARSA-N 2 2 335.923 3.202 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414121853 309062156 /nfs/dbraw/zinc/06/21/56/309062156.db2.gz FLXXDTRGZQQFPQ-QRQLOZEOSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414121853 309062157 /nfs/dbraw/zinc/06/21/57/309062157.db2.gz FLXXDTRGZQQFPQ-QRQLOZEOSA-N 2 2 336.907 3.413 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000414211088 309067066 /nfs/dbraw/zinc/06/70/66/309067066.db2.gz NYXYICJLEYAQEB-NJYVYQBISA-N 2 2 338.499 3.436 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000414211088 309067067 /nfs/dbraw/zinc/06/70/67/309067067.db2.gz NYXYICJLEYAQEB-NJYVYQBISA-N 2 2 338.499 3.436 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)n1C ZINC000414359102 309075156 /nfs/dbraw/zinc/07/51/56/309075156.db2.gz DBSZUQVXJOWQPU-UHFFFAOYSA-N 2 2 344.793 3.031 20 0 EGADLP Clc1ccc(/C=C\C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255065071 308038904 /nfs/dbraw/zinc/03/89/04/308038904.db2.gz JVVFHBBVLTYZRF-PFOXWKGBSA-N 2 2 334.891 3.397 20 0 EGADLP Clc1ccc(/C=C\C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000255065071 308038905 /nfs/dbraw/zinc/03/89/05/308038905.db2.gz JVVFHBBVLTYZRF-PFOXWKGBSA-N 2 2 334.891 3.397 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292881129 308075795 /nfs/dbraw/zinc/07/57/95/308075795.db2.gz DYAOCFKNHXNMAB-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292881129 308075797 /nfs/dbraw/zinc/07/57/97/308075797.db2.gz DYAOCFKNHXNMAB-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292881129 308075799 /nfs/dbraw/zinc/07/57/99/308075799.db2.gz DYAOCFKNHXNMAB-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292881129 308075800 /nfs/dbraw/zinc/07/58/00/308075800.db2.gz DYAOCFKNHXNMAB-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292923572 308080535 /nfs/dbraw/zinc/08/05/35/308080535.db2.gz ILFUZUVGSYTYDM-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292923572 308080536 /nfs/dbraw/zinc/08/05/36/308080536.db2.gz ILFUZUVGSYTYDM-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292923572 308080538 /nfs/dbraw/zinc/08/05/38/308080538.db2.gz ILFUZUVGSYTYDM-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292923572 308080540 /nfs/dbraw/zinc/08/05/40/308080540.db2.gz ILFUZUVGSYTYDM-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292954084 308083784 /nfs/dbraw/zinc/08/37/84/308083784.db2.gz KTMAOSVVJGYTOQ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292954084 308083785 /nfs/dbraw/zinc/08/37/85/308083785.db2.gz KTMAOSVVJGYTOQ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292954084 308083786 /nfs/dbraw/zinc/08/37/86/308083786.db2.gz KTMAOSVVJGYTOQ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292954084 308083787 /nfs/dbraw/zinc/08/37/87/308083787.db2.gz KTMAOSVVJGYTOQ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293632788 308148082 /nfs/dbraw/zinc/14/80/82/308148082.db2.gz HQUJYMMNKHUDBS-UXLLHSPISA-N 2 2 347.532 3.303 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293632788 308148084 /nfs/dbraw/zinc/14/80/84/308148084.db2.gz HQUJYMMNKHUDBS-UXLLHSPISA-N 2 2 347.532 3.303 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293646058 308149249 /nfs/dbraw/zinc/14/92/49/308149249.db2.gz HNMWGDNSFUPNNV-JKSUJKDBSA-N 2 2 328.460 3.075 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414660192 309094172 /nfs/dbraw/zinc/09/41/72/309094172.db2.gz UMGVIKJWCAKNTQ-ZYHUDNBSSA-N 2 2 342.283 3.092 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414660192 309094173 /nfs/dbraw/zinc/09/41/73/309094173.db2.gz UMGVIKJWCAKNTQ-ZYHUDNBSSA-N 2 2 342.283 3.092 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414661871 309094333 /nfs/dbraw/zinc/09/43/33/309094333.db2.gz QOJGNMKTCUIKCG-KRWDZBQOSA-N 2 2 334.467 3.377 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414661871 309094334 /nfs/dbraw/zinc/09/43/34/309094334.db2.gz QOJGNMKTCUIKCG-KRWDZBQOSA-N 2 2 334.467 3.377 20 0 EGADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000414749021 309098651 /nfs/dbraw/zinc/09/86/51/309098651.db2.gz PIGPKXPNWPXKRQ-QGZVFWFLSA-N 2 2 346.519 3.217 20 0 EGADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000414749021 309098652 /nfs/dbraw/zinc/09/86/52/309098652.db2.gz PIGPKXPNWPXKRQ-QGZVFWFLSA-N 2 2 346.519 3.217 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)nn1C ZINC000297438291 308533817 /nfs/dbraw/zinc/53/38/17/308533817.db2.gz VXZTVRQZJAECBC-ZDUSSCGKSA-N 2 2 329.835 3.418 20 0 EGADLP C[C@@H]1C[C@@H](C[N@@H+]2CCOC[C@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757320 309099059 /nfs/dbraw/zinc/09/90/59/309099059.db2.gz APAFNPZUUUBMFH-YCPHGPKFSA-N 2 2 331.485 3.058 20 0 EGADLP C[C@@H]1C[C@@H](C[N@H+]2CCOC[C@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757320 309099060 /nfs/dbraw/zinc/09/90/60/309099060.db2.gz APAFNPZUUUBMFH-YCPHGPKFSA-N 2 2 331.485 3.058 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414764249 309099330 /nfs/dbraw/zinc/09/93/30/309099330.db2.gz ANXKOGXZPIMRJU-UHFFFAOYSA-N 2 2 332.879 3.123 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000414764249 309099331 /nfs/dbraw/zinc/09/93/31/309099331.db2.gz ANXKOGXZPIMRJU-UHFFFAOYSA-N 2 2 332.879 3.123 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H](C[NH3+])C1 ZINC000414771859 309099924 /nfs/dbraw/zinc/09/99/24/309099924.db2.gz SCNYFGUSFJAXIV-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H](C[NH3+])C1 ZINC000414771859 309099925 /nfs/dbraw/zinc/09/99/25/309099925.db2.gz SCNYFGUSFJAXIV-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000414782679 309100897 /nfs/dbraw/zinc/10/08/97/309100897.db2.gz IYKCCIWVUKWDMN-CQSZACIVSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC000414782679 309100898 /nfs/dbraw/zinc/10/08/98/309100898.db2.gz IYKCCIWVUKWDMN-CQSZACIVSA-N 2 2 329.307 3.395 20 0 EGADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1CC([NH3+])C1 ZINC000414783664 309100952 /nfs/dbraw/zinc/10/09/52/309100952.db2.gz ZSNDGGLNSSDWLS-UHFFFAOYSA-N 2 2 326.488 3.150 20 0 EGADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1CC([NH3+])C1 ZINC000414783664 309100953 /nfs/dbraw/zinc/10/09/53/309100953.db2.gz ZSNDGGLNSSDWLS-UHFFFAOYSA-N 2 2 326.488 3.150 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414792848 309101582 /nfs/dbraw/zinc/10/15/82/309101582.db2.gz SWYXLZMIJDQWKV-UHFFFAOYSA-N 2 2 326.868 3.451 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414792848 309101583 /nfs/dbraw/zinc/10/15/83/309101583.db2.gz SWYXLZMIJDQWKV-UHFFFAOYSA-N 2 2 326.868 3.451 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OCC ZINC000414794244 309101850 /nfs/dbraw/zinc/10/18/50/309101850.db2.gz FMXXOHGXEHUUFI-HNNXBMFYSA-N 2 2 326.868 3.354 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414816198 309103359 /nfs/dbraw/zinc/10/33/59/309103359.db2.gz WPCAMKCFSYIHAJ-INIZCTEOSA-N 2 2 347.503 3.314 20 0 EGADLP Clc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414827966 309104134 /nfs/dbraw/zinc/10/41/34/309104134.db2.gz LJHAERWYLRWUFV-FUNVUKJBSA-N 2 2 329.669 3.475 20 0 EGADLP C[C@H](CNc1cc[nH+]cc1Cl)[NH+]1CCN(c2ccccc2)CC1 ZINC000301534268 308704103 /nfs/dbraw/zinc/70/41/03/308704103.db2.gz SXOLEFQVCDWIST-OAHLLOKOSA-N 2 2 330.863 3.358 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414837333 309104708 /nfs/dbraw/zinc/10/47/08/309104708.db2.gz GTSRDEYCFKJEFJ-UHFFFAOYSA-N 2 2 327.266 3.209 20 0 EGADLP CC1(C)C[NH+]=C(N2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)S1 ZINC000301739656 308713385 /nfs/dbraw/zinc/71/33/85/308713385.db2.gz JXLDOHSEXLFHOQ-UHFFFAOYSA-N 2 2 344.459 3.377 20 0 EGADLP [NH3+][C@H]1CCCO[C@H]1C1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000333714085 308866483 /nfs/dbraw/zinc/86/64/83/308866483.db2.gz STGLRDZEHQMEHW-ROUUACIJSA-N 2 2 329.419 3.097 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@@H](C)[C@H]1OC ZINC000356691881 308889894 /nfs/dbraw/zinc/88/98/94/308889894.db2.gz GVADZLIUHPBHPT-NSISKUIASA-N 2 2 345.531 3.475 20 0 EGADLP C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@H]1CCCC[NH2+]1 ZINC000395169379 308903389 /nfs/dbraw/zinc/90/33/89/308903389.db2.gz VVLXISGVEJNSDM-XHDPSFHLSA-N 2 2 339.277 3.004 20 0 EGADLP O=C(Nc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1)c1ccc(Cl)cc1 ZINC000414850507 309105473 /nfs/dbraw/zinc/10/54/73/309105473.db2.gz SJRQRPGPNQKJFI-SFHVURJKSA-N 2 2 343.858 3.434 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)cc12 ZINC000414853886 309105574 /nfs/dbraw/zinc/10/55/74/309105574.db2.gz YLBUAJRCZGKRKW-LJQANCHMSA-N 2 2 337.471 3.190 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2sc(C)nc2C)cc1 ZINC000414877516 309106882 /nfs/dbraw/zinc/10/68/82/309106882.db2.gz GAWZVPDEMLLEOA-IRXDYDNUSA-N 2 2 331.485 3.004 20 0 EGADLP COc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000414893660 309107754 /nfs/dbraw/zinc/10/77/54/309107754.db2.gz YLIIISQTLQJGPM-HZPDHXFCSA-N 2 2 332.469 3.001 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)ccc1OCC(F)(F)F ZINC000414932915 309110037 /nfs/dbraw/zinc/11/00/37/309110037.db2.gz AFOUXCUQYOTMBH-TZMCWYRMSA-N 2 2 346.393 3.257 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414948935 309110887 /nfs/dbraw/zinc/11/08/87/309110887.db2.gz MXBYFGNKIODOAH-VQIMIIECSA-N 2 2 332.394 3.209 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414954301 309111135 /nfs/dbraw/zinc/11/11/35/309111135.db2.gz LCDGQGADWDIJCA-AWEZNQCLSA-N 2 2 336.785 3.217 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414956055 309111209 /nfs/dbraw/zinc/11/12/09/309111209.db2.gz MXJXTAVLBYAWTH-MRXNPFEDSA-N 2 2 335.455 3.022 20 0 EGADLP Clc1ccc(OC2CCCC2)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415029337 309115372 /nfs/dbraw/zinc/11/53/72/309115372.db2.gz AUEWWMFCYJTXHQ-KRWDZBQOSA-N 2 2 338.879 3.130 20 0 EGADLP Brc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000415032848 309115520 /nfs/dbraw/zinc/11/55/20/309115520.db2.gz AZZATWHKVZJDNI-UONOGXRCSA-N 2 2 337.286 3.356 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415055042 309116851 /nfs/dbraw/zinc/11/68/51/309116851.db2.gz QRNMFDRERGRSRL-RHSMWYFYSA-N 2 2 328.485 3.169 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415055042 309116852 /nfs/dbraw/zinc/11/68/52/309116852.db2.gz QRNMFDRERGRSRL-RHSMWYFYSA-N 2 2 328.485 3.169 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(OCCOC)c1 ZINC000415063432 309117704 /nfs/dbraw/zinc/11/77/04/309117704.db2.gz HZQDOEQIJBCGQB-FQEVSTJZSA-N 2 2 328.456 3.064 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2CC)ccc1OC ZINC000415063265 309117785 /nfs/dbraw/zinc/11/77/85/309117785.db2.gz HMZKLGIAIMGRAP-GOSISDBHSA-N 2 2 328.456 3.446 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415070894 309118298 /nfs/dbraw/zinc/11/82/98/309118298.db2.gz VSMBONMJXARSKN-IFXJQAMLSA-N 2 2 343.446 3.395 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415076519 309118520 /nfs/dbraw/zinc/11/85/20/309118520.db2.gz CSLGMHJYBFAVSL-VQIMIIECSA-N 2 2 326.488 3.128 20 0 EGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415077891 309118647 /nfs/dbraw/zinc/11/86/47/309118647.db2.gz FWELFMKHQMCZEH-AZUAARDMSA-N 2 2 328.431 3.460 20 0 EGADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415108080 309120912 /nfs/dbraw/zinc/12/09/12/309120912.db2.gz KEZBQPXSLJSAIB-GOSISDBHSA-N 2 2 337.483 3.002 20 0 EGADLP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415108080 309120913 /nfs/dbraw/zinc/12/09/13/309120913.db2.gz KEZBQPXSLJSAIB-GOSISDBHSA-N 2 2 337.483 3.002 20 0 EGADLP C[C@@H]1CCC[C@H](C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126778 309122274 /nfs/dbraw/zinc/12/22/74/309122274.db2.gz GVEYKEAQXNRGPJ-QUCCMNQESA-N 3 2 329.532 3.396 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415134837 309122968 /nfs/dbraw/zinc/12/29/68/309122968.db2.gz FFEKJWQAZMULSL-QGZVFWFLSA-N 2 2 341.459 3.116 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000415134512 309123093 /nfs/dbraw/zinc/12/30/93/309123093.db2.gz OQKHMNJDEPPSJV-RUYXUALKSA-N 3 2 329.532 3.394 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC(F)F ZINC000415136076 309123125 /nfs/dbraw/zinc/12/31/25/309123125.db2.gz XCJWIRPPHJYFCZ-GXTWGEPZSA-N 2 2 328.403 3.103 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC(F)F ZINC000415136076 309123126 /nfs/dbraw/zinc/12/31/26/309123126.db2.gz XCJWIRPPHJYFCZ-GXTWGEPZSA-N 2 2 328.403 3.103 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)CCCC[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000415470201 309134324 /nfs/dbraw/zinc/13/43/24/309134324.db2.gz XREZJFLBJKXMAZ-JKSUJKDBSA-N 2 2 347.507 3.408 20 0 EGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784328 309222010 /nfs/dbraw/zinc/22/20/10/309222010.db2.gz CEXJBXHTSNBFLF-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784328 309222011 /nfs/dbraw/zinc/22/20/11/309222011.db2.gz CEXJBXHTSNBFLF-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784328 309222012 /nfs/dbraw/zinc/22/20/12/309222012.db2.gz CEXJBXHTSNBFLF-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784328 309222013 /nfs/dbraw/zinc/22/20/13/309222013.db2.gz CEXJBXHTSNBFLF-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417790182 309222360 /nfs/dbraw/zinc/22/23/60/309222360.db2.gz IADYVLBREGYFCX-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417790182 309222361 /nfs/dbraw/zinc/22/23/61/309222361.db2.gz IADYVLBREGYFCX-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000417951334 309229246 /nfs/dbraw/zinc/22/92/46/309229246.db2.gz LILBSCKCKACLCV-KJJMTIBFSA-N 2 2 336.479 3.015 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000417951334 309229247 /nfs/dbraw/zinc/22/92/47/309229247.db2.gz LILBSCKCKACLCV-KJJMTIBFSA-N 2 2 336.479 3.015 20 0 EGADLP C[C@H]([NH3+])C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000420300133 309280301 /nfs/dbraw/zinc/28/03/01/309280301.db2.gz HHWCCUOHZMTANQ-AWEZNQCLSA-N 2 2 326.469 3.380 20 0 EGADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000420300133 309280302 /nfs/dbraw/zinc/28/03/02/309280302.db2.gz HHWCCUOHZMTANQ-AWEZNQCLSA-N 2 2 326.469 3.380 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000420359404 309284075 /nfs/dbraw/zinc/28/40/75/309284075.db2.gz KLAHUJMFVIWCPY-CQSZACIVSA-N 2 2 344.286 3.429 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cs2)c1 ZINC000420363840 309284273 /nfs/dbraw/zinc/28/42/73/309284273.db2.gz OHAQSDDQXCNQKI-MRXNPFEDSA-N 2 2 331.485 3.296 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)cc1 ZINC000420371763 309284716 /nfs/dbraw/zinc/28/47/16/309284716.db2.gz DNQORMMCLURRAC-YOEHRIQHSA-N 2 2 328.460 3.277 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)cc1 ZINC000420371763 309284717 /nfs/dbraw/zinc/28/47/17/309284717.db2.gz DNQORMMCLURRAC-YOEHRIQHSA-N 2 2 328.460 3.277 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420375646 309285199 /nfs/dbraw/zinc/28/51/99/309285199.db2.gz JFCIIMOBURAWJR-PVAVHDDUSA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420375646 309285200 /nfs/dbraw/zinc/28/52/00/309285200.db2.gz JFCIIMOBURAWJR-PVAVHDDUSA-N 2 2 331.504 3.362 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)C1CCCCC1 ZINC000420378896 309285315 /nfs/dbraw/zinc/28/53/15/309285315.db2.gz XJCWHRWEHWWMSH-KRWDZBQOSA-N 2 2 334.414 3.148 20 0 EGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420379669 309285404 /nfs/dbraw/zinc/28/54/04/309285404.db2.gz NEXOOKAORKYWTH-AEFFLSMTSA-N 2 2 337.467 3.209 20 0 EGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000420379669 309285405 /nfs/dbraw/zinc/28/54/05/309285405.db2.gz NEXOOKAORKYWTH-AEFFLSMTSA-N 2 2 337.467 3.209 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000420394348 309286160 /nfs/dbraw/zinc/28/61/60/309286160.db2.gz ZZDORILKEJEUAP-MRXNPFEDSA-N 2 2 341.455 3.347 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000420394348 309286161 /nfs/dbraw/zinc/28/61/61/309286161.db2.gz ZZDORILKEJEUAP-MRXNPFEDSA-N 2 2 341.455 3.347 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420401847 309286595 /nfs/dbraw/zinc/28/65/95/309286595.db2.gz JOCMYXAXRAOFCZ-ZIAGYGMSSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420401847 309286596 /nfs/dbraw/zinc/28/65/96/309286596.db2.gz JOCMYXAXRAOFCZ-ZIAGYGMSSA-N 2 2 331.485 3.235 20 0 EGADLP Cc1cc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc(C)[nH+]1 ZINC000421104475 309313533 /nfs/dbraw/zinc/31/35/33/309313533.db2.gz ZAWLPJPLXVMLDL-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000421375016 309321373 /nfs/dbraw/zinc/32/13/73/309321373.db2.gz OJLMEKCQLAUUSR-FQEVSTJZSA-N 2 2 328.431 3.141 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000421375016 309321374 /nfs/dbraw/zinc/32/13/74/309321374.db2.gz OJLMEKCQLAUUSR-FQEVSTJZSA-N 2 2 328.431 3.141 20 0 EGADLP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394238 309322697 /nfs/dbraw/zinc/32/26/97/309322697.db2.gz XMKRPPDNLXGUJL-HUUCEWRRSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394238 309322698 /nfs/dbraw/zinc/32/26/98/309322698.db2.gz XMKRPPDNLXGUJL-HUUCEWRRSA-N 2 2 329.444 3.134 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)C(C)(C)C)CC2)CC1 ZINC000422008679 309350659 /nfs/dbraw/zinc/35/06/59/309350659.db2.gz AKBDBOJNIAYIPA-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)C(C)(C)C)CC2)CC1 ZINC000422008679 309350660 /nfs/dbraw/zinc/35/06/60/309350660.db2.gz AKBDBOJNIAYIPA-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP CCC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422029038 309351942 /nfs/dbraw/zinc/35/19/42/309351942.db2.gz ZBDSOJRTLKMBLF-LJQANCHMSA-N 2 2 337.552 3.077 20 0 EGADLP CCC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422029038 309351943 /nfs/dbraw/zinc/35/19/43/309351943.db2.gz ZBDSOJRTLKMBLF-LJQANCHMSA-N 2 2 337.552 3.077 20 0 EGADLP [NH3+]C1CCN(C(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)CC1 ZINC000422696288 309363515 /nfs/dbraw/zinc/36/35/15/309363515.db2.gz WXVHFVNLMOSDJK-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000422714590 309364396 /nfs/dbraw/zinc/36/43/96/309364396.db2.gz LEMDTRSFBKFLRH-GJYPPUQNSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000422714590 309364397 /nfs/dbraw/zinc/36/43/97/309364397.db2.gz LEMDTRSFBKFLRH-GJYPPUQNSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OCc2ccccn2)c1 ZINC000422721207 309365006 /nfs/dbraw/zinc/36/50/06/309365006.db2.gz NPYHGDWWVDPXNM-QINHECLXSA-N 2 2 325.456 3.452 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000422739016 309366006 /nfs/dbraw/zinc/36/60/06/309366006.db2.gz KRKRNRUQNGMATO-CEWLAPEOSA-N 2 2 349.478 3.265 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422797333 309368769 /nfs/dbraw/zinc/36/87/69/309368769.db2.gz MDPOCOJATJYDLM-MAUKXSAKSA-N 2 2 344.430 3.475 20 0 EGADLP [NH3+]C[C@H]1CCCN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000422879066 309373706 /nfs/dbraw/zinc/37/37/06/309373706.db2.gz KEDZZZUNOOTILO-MRXNPFEDSA-N 2 2 340.471 3.034 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422892782 309374622 /nfs/dbraw/zinc/37/46/22/309374622.db2.gz NUMQOGWEIWWIBF-LLVKDONJSA-N 2 2 328.441 3.416 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422896606 309374756 /nfs/dbraw/zinc/37/47/56/309374756.db2.gz YFKOXRMCCXDJAA-GKCIPKSASA-N 2 2 337.467 3.449 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422896607 309374899 /nfs/dbraw/zinc/37/48/99/309374899.db2.gz YFKOXRMCCXDJAA-KPOBHBOGSA-N 2 2 337.467 3.449 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000422905735 309375584 /nfs/dbraw/zinc/37/55/84/309375584.db2.gz SPPBFZPABLCRSK-NZSAHSFTSA-N 3 2 342.462 3.412 20 0 EGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])N(C)Cc1ccccc1 ZINC000422913960 309375996 /nfs/dbraw/zinc/37/59/96/309375996.db2.gz ZOCHJWOHFYQALP-LVCYWYKZSA-N 2 2 325.500 3.055 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422967236 309378775 /nfs/dbraw/zinc/37/87/75/309378775.db2.gz OPOXFRVUQWMTPZ-UXHICEINSA-N 2 2 332.488 3.002 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422968935 309378911 /nfs/dbraw/zinc/37/89/11/309378911.db2.gz YATDREMPRJUTLI-OXJNMPFZSA-N 2 2 339.483 3.451 20 0 EGADLP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCCC[NH2+]1 ZINC000422984562 309379471 /nfs/dbraw/zinc/37/94/71/309379471.db2.gz YIXAIPQPRSOFMP-WFASDCNBSA-N 2 2 334.851 3.053 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000423089363 309385436 /nfs/dbraw/zinc/38/54/36/309385436.db2.gz UXSHHIHDKRGDAO-QMMMGPOBSA-N 2 2 327.325 3.256 20 0 EGADLP Clc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423164758 309389063 /nfs/dbraw/zinc/38/90/63/309389063.db2.gz ACFZPJBSSSVUFZ-FOSCPWQOSA-N 2 2 329.669 3.475 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423196939 309390158 /nfs/dbraw/zinc/39/01/58/309390158.db2.gz WYURAQKTHPIDOR-NXEZZACHSA-N 2 2 336.329 3.292 20 0 EGADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423203887 309390259 /nfs/dbraw/zinc/39/02/59/309390259.db2.gz AKLNBIPDEXRGBB-MWLCHTKSSA-N 2 2 349.784 3.027 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCS2 ZINC000423232873 309391590 /nfs/dbraw/zinc/39/15/90/309391590.db2.gz IWULMPHPDZQYBI-YPMHNXCESA-N 2 2 327.291 3.328 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000423250350 309392321 /nfs/dbraw/zinc/39/23/21/309392321.db2.gz UTOWSOOBHQYPLW-QAPCUYQASA-N 2 2 328.456 3.233 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cc(C)ccn2)cc1 ZINC000423324031 309395117 /nfs/dbraw/zinc/39/51/17/309395117.db2.gz HTWJRRZTZCQGBJ-QSFXBCCZSA-N 2 2 325.456 3.195 20 0 EGADLP Brc1cccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423333197 309395650 /nfs/dbraw/zinc/39/56/50/309395650.db2.gz VPHZWYFURLSEBD-KRWDZBQOSA-N 2 2 331.257 3.348 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cnccc2C)cc1 ZINC000423347190 309396313 /nfs/dbraw/zinc/39/63/13/309396313.db2.gz ZSXUJHQWDMTMBM-BPAFIMBUSA-N 2 2 325.456 3.195 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423415909 309399178 /nfs/dbraw/zinc/39/91/78/309399178.db2.gz FFXQRQWHYCKRKX-NVXWUHKLSA-N 2 2 328.403 3.097 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)CCC[NH2+]1 ZINC000423414629 309399213 /nfs/dbraw/zinc/39/92/13/309399213.db2.gz CKNVRVYOEOZARW-UZLBHIALSA-N 2 2 325.456 3.168 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)CCC[NH2+]1 ZINC000423414477 309399222 /nfs/dbraw/zinc/39/92/22/309399222.db2.gz NANDVVNBQJGALJ-UYAOXDASSA-N 2 2 332.488 3.382 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000423414359 309399225 /nfs/dbraw/zinc/39/92/25/309399225.db2.gz CCOSXPYOVLNLJI-HRAATJIYSA-N 2 2 332.451 3.410 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](c2ccccc2OC)C2CCCC2)CCC[NH2+]1 ZINC000423413263 309399258 /nfs/dbraw/zinc/39/92/58/309399258.db2.gz JZVOJNDOPGGZOL-PMACEKPBSA-N 2 2 332.488 3.285 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CCC[NH2+]1 ZINC000423426692 309399871 /nfs/dbraw/zinc/39/98/71/309399871.db2.gz NJDASBMPFVGZEV-PXAZEXFGSA-N 2 2 325.522 3.168 20 0 EGADLP CSC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423491092 309402735 /nfs/dbraw/zinc/40/27/35/309402735.db2.gz JDJVTKGZRBAJIK-CABCVRRESA-N 2 2 348.434 3.078 20 0 EGADLP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423526940 309404903 /nfs/dbraw/zinc/40/49/03/309404903.db2.gz LXGPEYWLRJRVRA-QXAKKESOSA-N 2 2 326.415 3.167 20 0 EGADLP CCCC[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000423567554 309406554 /nfs/dbraw/zinc/40/65/54/309406554.db2.gz DCWWYPXBBWZJKP-IRXDYDNUSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423821573 309414647 /nfs/dbraw/zinc/41/46/47/309414647.db2.gz RDVQTHIGEHBZCM-NXHRZFHOSA-N 2 2 349.544 3.251 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000424326434 309438976 /nfs/dbraw/zinc/43/89/76/309438976.db2.gz YIQLWAQEPKWSTH-HUUCEWRRSA-N 2 2 340.895 3.092 20 0 EGADLP COC(=O)CC1CC([NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000425377952 309477287 /nfs/dbraw/zinc/47/72/87/309477287.db2.gz IMILBLTYJDCSCL-YWGOOWROSA-N 2 2 339.439 3.043 20 0 EGADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000431061335 309624670 /nfs/dbraw/zinc/62/46/70/309624670.db2.gz VRYISBRXVFBXAL-HOCLYGCPSA-N 2 2 330.407 3.248 20 0 EGADLP COc1ncccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673656 309717313 /nfs/dbraw/zinc/71/73/13/309717313.db2.gz FVHPFWDAKZPNCK-UHFFFAOYSA-N 2 2 326.444 3.003 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)Cn1cc[nH+]c1 ZINC000435786889 309740488 /nfs/dbraw/zinc/74/04/88/309740488.db2.gz WWQSKWSVBIHQEH-QGZVFWFLSA-N 2 2 335.455 3.472 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)[nH+]1 ZINC000436494277 309757302 /nfs/dbraw/zinc/75/73/02/309757302.db2.gz NEZHXGPNQAXFKG-CQSZACIVSA-N 2 2 332.473 3.493 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000438551804 309816964 /nfs/dbraw/zinc/81/69/64/309816964.db2.gz ILFROGLNXMWKOQ-UHFFFAOYSA-N 2 2 334.423 3.229 20 0 EGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000446938677 309971233 /nfs/dbraw/zinc/97/12/33/309971233.db2.gz JTRXDPONCZJRDV-RTBURBONSA-N 2 2 336.545 3.255 20 0 EGADLP C([NH2+][C@H]1CCOC2(CCC2)C1)C1([NH+]2CCSCC2)CCCCC1 ZINC000449143354 310040086 /nfs/dbraw/zinc/04/00/86/310040086.db2.gz WKTHARLSNZDIQH-KRWDZBQOSA-N 2 2 338.561 3.429 20 0 EGADLP COc1cccc2c(C[NH+]3CCN(c4cc[nH+]c(C)n4)CC3)cccc12 ZINC000449238905 310046635 /nfs/dbraw/zinc/04/66/35/310046635.db2.gz UDEQULGVPYDEEY-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281786 310049830 /nfs/dbraw/zinc/04/98/30/310049830.db2.gz FBHAMZCDQLGGSJ-IUODEOHRSA-N 2 2 342.405 3.182 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281786 310049831 /nfs/dbraw/zinc/04/98/31/310049831.db2.gz FBHAMZCDQLGGSJ-IUODEOHRSA-N 2 2 342.405 3.182 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449348189 310055816 /nfs/dbraw/zinc/05/58/16/310055816.db2.gz BMYDIZQTMWFIID-AWEZNQCLSA-N 2 2 348.878 3.262 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398458 310058887 /nfs/dbraw/zinc/05/88/87/310058887.db2.gz VASMOQNOPQXHCL-PRLABOORSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398458 310058888 /nfs/dbraw/zinc/05/88/88/310058888.db2.gz VASMOQNOPQXHCL-PRLABOORSA-N 2 2 336.442 3.180 20 0 EGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449468490 310064504 /nfs/dbraw/zinc/06/45/04/310064504.db2.gz PLOFYLDKXFAGBD-MAUKXSAKSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449468490 310064505 /nfs/dbraw/zinc/06/45/05/310064505.db2.gz PLOFYLDKXFAGBD-MAUKXSAKSA-N 2 2 329.513 3.494 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]Cc2c[nH]c3nccnc23)CCC1 ZINC000449472929 310065055 /nfs/dbraw/zinc/06/50/55/310065055.db2.gz GQBHJUXDXODDSN-UHFFFAOYSA-N 2 2 335.455 3.054 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]Cc2c[nH]c3nccnc23)CCC1 ZINC000449472929 310065056 /nfs/dbraw/zinc/06/50/56/310065056.db2.gz GQBHJUXDXODDSN-UHFFFAOYSA-N 2 2 335.455 3.054 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000449522755 310068991 /nfs/dbraw/zinc/06/89/91/310068991.db2.gz KFRLHYBMUFAADQ-QRWLVFNGSA-N 2 2 329.488 3.388 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000449646243 310077245 /nfs/dbraw/zinc/07/72/45/310077245.db2.gz MUKKNJMFERXRTF-IAGOWNOFSA-N 2 2 337.467 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)c2cc1C ZINC000453041863 310254034 /nfs/dbraw/zinc/25/40/34/310254034.db2.gz RQWLBCHXRYGHSY-LVCYWYKZSA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C4CC4)[C@H]3C3CC3)c2cc1C ZINC000453041863 310254035 /nfs/dbraw/zinc/25/40/35/310254035.db2.gz RQWLBCHXRYGHSY-LVCYWYKZSA-N 2 2 339.483 3.134 20 0 EGADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000453079248 310256481 /nfs/dbraw/zinc/25/64/81/310256481.db2.gz ZDILGOJUEPWWCE-RXVVDRJESA-N 2 2 338.499 3.470 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247194 310266541 /nfs/dbraw/zinc/26/65/41/310266541.db2.gz DOJCJMYHRLKGFT-UKRRQHHQSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247194 310266542 /nfs/dbraw/zinc/26/65/42/310266542.db2.gz DOJCJMYHRLKGFT-UKRRQHHQSA-N 2 2 346.393 3.083 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CCCC1 ZINC000453259297 310267405 /nfs/dbraw/zinc/26/74/05/310267405.db2.gz IDBOHWOQNLAAGZ-NQIIRXRSSA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CCCC1 ZINC000453259297 310267406 /nfs/dbraw/zinc/26/74/06/310267406.db2.gz IDBOHWOQNLAAGZ-NQIIRXRSSA-N 2 2 346.515 3.363 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263266 310300099 /nfs/dbraw/zinc/30/00/99/310300099.db2.gz KGNWUDMZMADUEB-IAGOWNOFSA-N 2 2 349.523 3.020 20 0 EGADLP Cc1cc(C)c(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)[nH+]1 ZINC000455465872 310361982 /nfs/dbraw/zinc/36/19/82/310361982.db2.gz FJRXBXLCMZNIOZ-UHFFFAOYSA-N 2 2 326.444 3.390 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455841637 310379036 /nfs/dbraw/zinc/37/90/36/310379036.db2.gz DVUZRDHNNKTLBL-DYVFJYSZSA-N 2 2 341.459 3.335 20 0 EGADLP C[C@H](CCCc1cccnc1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000459651184 310566275 /nfs/dbraw/zinc/56/62/75/310566275.db2.gz OQUOWLJQGPGQAU-GOSISDBHSA-N 2 2 338.499 3.442 20 0 EGADLP CC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000480079393 310889147 /nfs/dbraw/zinc/88/91/47/310889147.db2.gz AXPXDCSKFOFVCN-YSIASYRMSA-N 2 2 332.488 3.237 20 0 EGADLP CC[N@@H+](Cc1cc(C)n(C)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487392812 311022001 /nfs/dbraw/zinc/02/20/01/311022001.db2.gz HXYKSERSCMFQAN-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cc(C)n(C)n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487392812 311022002 /nfs/dbraw/zinc/02/20/02/311022002.db2.gz HXYKSERSCMFQAN-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)n(C)n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487392812 311022003 /nfs/dbraw/zinc/02/20/03/311022003.db2.gz HXYKSERSCMFQAN-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)n(C)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487392812 311022004 /nfs/dbraw/zinc/02/20/04/311022004.db2.gz HXYKSERSCMFQAN-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784977 311120397 /nfs/dbraw/zinc/12/03/97/311120397.db2.gz YUEGHBUVNIRHQX-PKOBYXMFSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784977 311120399 /nfs/dbraw/zinc/12/03/99/311120399.db2.gz YUEGHBUVNIRHQX-PKOBYXMFSA-N 2 2 346.519 3.075 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489935618 311126176 /nfs/dbraw/zinc/12/61/76/311126176.db2.gz PIAKSVFKKRLOAA-BVYCBKJFSA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489935618 311126177 /nfs/dbraw/zinc/12/61/77/311126177.db2.gz PIAKSVFKKRLOAA-BVYCBKJFSA-N 2 2 338.495 3.497 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000491060098 311162743 /nfs/dbraw/zinc/16/27/43/311162743.db2.gz MLRLBJODFSWMFB-ZWKOTPCHSA-N 2 2 336.838 3.081 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000492173920 311224131 /nfs/dbraw/zinc/22/41/31/311224131.db2.gz SBAUBDXKMDOKGD-UHFFFAOYSA-N 2 2 342.443 3.170 20 0 EGADLP CCC(CC)(C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OC ZINC000492257745 311230887 /nfs/dbraw/zinc/23/08/87/311230887.db2.gz KYRMQABKDLURQN-UHFFFAOYSA-N 2 2 325.522 3.204 20 0 EGADLP CCC(CC)(C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)OC ZINC000492257745 311230889 /nfs/dbraw/zinc/23/08/89/311230889.db2.gz KYRMQABKDLURQN-UHFFFAOYSA-N 2 2 325.522 3.204 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000492537763 311263302 /nfs/dbraw/zinc/26/33/02/311263302.db2.gz RHJUOSZZKKZKBC-HJWRWDBZSA-N 2 2 338.455 3.459 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c[nH+]1 ZINC000492633790 311273997 /nfs/dbraw/zinc/27/39/97/311273997.db2.gz KPRQWTQOPMEVEI-QGZVFWFLSA-N 2 2 333.476 3.216 20 0 EGADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000493235190 311346965 /nfs/dbraw/zinc/34/69/65/311346965.db2.gz FLJCOAGOKPZYJK-MDZDMXLPSA-N 2 2 338.455 3.115 20 0 EGADLP CCCCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494403042 311475522 /nfs/dbraw/zinc/47/55/22/311475522.db2.gz GWQKJNYIDRDIKZ-INIZCTEOSA-N 2 2 329.444 3.175 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496361184 311702293 /nfs/dbraw/zinc/70/22/93/311702293.db2.gz OWLDJNBQPQUEHJ-INIZCTEOSA-N 2 2 333.476 3.310 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@H]3CC=CCC3)CC2)c1 ZINC000506349654 312047987 /nfs/dbraw/zinc/04/79/87/312047987.db2.gz QBNVSWQZIDUUCJ-FQEVSTJZSA-N 2 2 327.516 3.453 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482401 312050201 /nfs/dbraw/zinc/05/02/01/312050201.db2.gz SWVHKYYNMSHUQD-RBUKOAKNSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482401 312050202 /nfs/dbraw/zinc/05/02/02/312050202.db2.gz SWVHKYYNMSHUQD-RBUKOAKNSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482401 312050204 /nfs/dbraw/zinc/05/02/04/312050204.db2.gz SWVHKYYNMSHUQD-RBUKOAKNSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482401 312050205 /nfs/dbraw/zinc/05/02/05/312050205.db2.gz SWVHKYYNMSHUQD-RBUKOAKNSA-N 2 2 349.563 3.412 20 0 EGADLP Cc1cccn2c(CN3CC[NH+](CCc4cccs4)CC3)c[nH+]c12 ZINC000507082860 312058059 /nfs/dbraw/zinc/05/80/59/312058059.db2.gz FAKMXMKUBFTXEM-UHFFFAOYSA-N 2 2 340.496 3.065 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000514009487 312222322 /nfs/dbraw/zinc/22/23/22/312222322.db2.gz GVQRRKDSFWILSP-NRFANRHFSA-N 2 2 345.531 3.305 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000514009487 312222326 /nfs/dbraw/zinc/22/23/26/312222326.db2.gz GVQRRKDSFWILSP-NRFANRHFSA-N 2 2 345.531 3.305 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)ccn12 ZINC000515356191 312278584 /nfs/dbraw/zinc/27/85/84/312278584.db2.gz SZJAGYFXCKOIIZ-VQIMIIECSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)ccn12 ZINC000515356191 312278585 /nfs/dbraw/zinc/27/85/85/312278585.db2.gz SZJAGYFXCKOIIZ-VQIMIIECSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000516782018 312342056 /nfs/dbraw/zinc/34/20/56/312342056.db2.gz DYJVOVUJCWLCIR-INIZCTEOSA-N 2 2 334.423 3.332 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000516782018 312342059 /nfs/dbraw/zinc/34/20/59/312342059.db2.gz DYJVOVUJCWLCIR-INIZCTEOSA-N 2 2 334.423 3.332 20 0 EGADLP Cc1[nH]c2cc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000516782018 312342062 /nfs/dbraw/zinc/34/20/62/312342062.db2.gz DYJVOVUJCWLCIR-INIZCTEOSA-N 2 2 334.423 3.332 20 0 EGADLP Cc1[nH]c2cc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000516782018 312342063 /nfs/dbraw/zinc/34/20/63/312342063.db2.gz DYJVOVUJCWLCIR-INIZCTEOSA-N 2 2 334.423 3.332 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1(C)C ZINC000517040103 312360682 /nfs/dbraw/zinc/36/06/82/312360682.db2.gz PGQUMTQUQOGHLI-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP C[N@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1(C)C ZINC000517040103 312360683 /nfs/dbraw/zinc/36/06/83/312360683.db2.gz PGQUMTQUQOGHLI-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP COc1ccc([C@H]([NH2+]CCCOCC(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000518959925 312434408 /nfs/dbraw/zinc/43/44/08/312434408.db2.gz QJQPUVYWLCQOLJ-HOTGVXAUSA-N 2 2 346.393 3.047 20 0 EGADLP CCn1cc[nH+]c1CN1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000528639267 313135673 /nfs/dbraw/zinc/13/56/73/313135673.db2.gz LFCAZBDBKHJROK-IBGZPJMESA-N 2 2 326.488 3.245 20 0 EGADLP c1cc2c(cccc2N2CC[NH+](CCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000528761477 313166525 /nfs/dbraw/zinc/16/65/25/313166525.db2.gz GADZMBNTVNTUFF-UHFFFAOYSA-N 2 2 326.488 3.166 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](CO)c3ccc(C(F)(F)F)cc3)n2c1 ZINC000533892197 313940909 /nfs/dbraw/zinc/94/09/09/313940909.db2.gz ICQLTOCPYPPPPF-MRXNPFEDSA-N 2 2 349.356 3.485 20 0 EGADLP Cc1[nH+]cc(CN2CCC[N@@H+](C(C)(C)C)CC2)n1-c1ccccc1 ZINC000535083823 314025919 /nfs/dbraw/zinc/02/59/19/314025919.db2.gz BUZFIBYIOXBDMF-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1[nH+]cc(CN2CCC[N@H+](C(C)(C)C)CC2)n1-c1ccccc1 ZINC000535083823 314025920 /nfs/dbraw/zinc/02/59/20/314025920.db2.gz BUZFIBYIOXBDMF-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc2)n1 ZINC000535821852 314077567 /nfs/dbraw/zinc/07/75/67/314077567.db2.gz CHIRCZMJMBRQDA-GOSISDBHSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc2)n1 ZINC000535821852 314077572 /nfs/dbraw/zinc/07/75/72/314077572.db2.gz CHIRCZMJMBRQDA-GOSISDBHSA-N 2 2 335.455 3.212 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)CCc3cccc(F)c3)CC2)c1 ZINC000541226303 314442349 /nfs/dbraw/zinc/44/23/49/314442349.db2.gz ZFPOIODNUUOQLQ-INIZCTEOSA-N 2 2 343.446 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549780911 315103901 /nfs/dbraw/zinc/10/39/01/315103901.db2.gz XYTGUJIEYWOLTI-DFHBCGBQSA-N 2 2 349.316 3.379 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549780911 315103902 /nfs/dbraw/zinc/10/39/02/315103902.db2.gz XYTGUJIEYWOLTI-DFHBCGBQSA-N 2 2 349.316 3.379 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1(C)C ZINC000550245417 315121103 /nfs/dbraw/zinc/12/11/03/315121103.db2.gz ZCHFOCPCXRSZNI-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP C[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1(C)C ZINC000550245417 315121104 /nfs/dbraw/zinc/12/11/04/315121104.db2.gz ZCHFOCPCXRSZNI-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244992 315208808 /nfs/dbraw/zinc/20/88/08/315208808.db2.gz PTDUOEFFYQIFDD-MAUKXSAKSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244992 315208810 /nfs/dbraw/zinc/20/88/10/315208810.db2.gz PTDUOEFFYQIFDD-MAUKXSAKSA-N 2 2 334.504 3.407 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320964 315213118 /nfs/dbraw/zinc/21/31/18/315213118.db2.gz IINIEXHMIVYAPN-MDVLYUJXSA-N 2 2 336.426 3.337 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320964 315213121 /nfs/dbraw/zinc/21/31/21/315213121.db2.gz IINIEXHMIVYAPN-MDVLYUJXSA-N 2 2 336.426 3.337 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cnc4ccccc4c3)CC2)nc1 ZINC000554697617 315343824 /nfs/dbraw/zinc/34/38/24/315343824.db2.gz YYLZMBATABVGNA-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP Cn1c[nH+]cc1Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000556236938 315423709 /nfs/dbraw/zinc/42/37/09/315423709.db2.gz XOBDARXPROMVGO-UHFFFAOYSA-N 2 2 337.427 3.047 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1OC ZINC000560515846 315701442 /nfs/dbraw/zinc/70/14/42/315701442.db2.gz BKOZFLAQASOUNM-OAHLLOKOSA-N 2 2 331.460 3.210 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570278 316039726 /nfs/dbraw/zinc/03/97/26/316039726.db2.gz BDULZNVNLWBCMP-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570278 316039730 /nfs/dbraw/zinc/03/97/30/316039730.db2.gz BDULZNVNLWBCMP-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2sccc2Br)C1 ZINC000563570278 316039734 /nfs/dbraw/zinc/03/97/34/316039734.db2.gz BDULZNVNLWBCMP-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2sccc2Br)C1 ZINC000563570278 316039738 /nfs/dbraw/zinc/03/97/38/316039738.db2.gz BDULZNVNLWBCMP-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000565658112 316352499 /nfs/dbraw/zinc/35/24/99/316352499.db2.gz IQDZHBWAABMWRP-VQTJNVASSA-N 2 2 342.462 3.426 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000565658112 316352503 /nfs/dbraw/zinc/35/25/03/316352503.db2.gz IQDZHBWAABMWRP-VQTJNVASSA-N 2 2 342.462 3.426 20 0 EGADLP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCc3occc32)c2ccccc2)CC1 ZINC000566080183 316412956 /nfs/dbraw/zinc/41/29/56/316412956.db2.gz IDUFJSRRGDSTAY-VQTJNVASSA-N 2 2 339.483 3.235 20 0 EGADLP Cc1noc(C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc2)n1 ZINC000567640031 316648624 /nfs/dbraw/zinc/64/86/24/316648624.db2.gz ZXGYMEWKFHGHEQ-CEXWTWQISA-N 2 2 334.423 3.396 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149497 317014226 /nfs/dbraw/zinc/01/42/26/317014226.db2.gz OSVUOJUQQLUSEH-WBVHZDCISA-N 2 2 344.434 3.148 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)ccc1F ZINC000570149497 317014230 /nfs/dbraw/zinc/01/42/30/317014230.db2.gz OSVUOJUQQLUSEH-WBVHZDCISA-N 2 2 344.434 3.148 20 0 EGADLP CCC[N@H+](C)[C@@H](C[NH2+]C[C@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040505 317142995 /nfs/dbraw/zinc/14/29/95/317142995.db2.gz FUTZDGUPHNAJHI-HOTGVXAUSA-N 2 2 330.925 3.036 20 0 EGADLP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040505 317142998 /nfs/dbraw/zinc/14/29/98/317142998.db2.gz FUTZDGUPHNAJHI-HOTGVXAUSA-N 2 2 330.925 3.036 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)ccn1 ZINC000571737414 317239476 /nfs/dbraw/zinc/23/94/76/317239476.db2.gz JBDBVNFMNCCMCX-MRXNPFEDSA-N 2 2 336.439 3.228 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000572702350 317377402 /nfs/dbraw/zinc/37/74/02/317377402.db2.gz ASAROTYYEZLTTR-INIZCTEOSA-N 2 2 326.400 3.136 20 0 EGADLP C[N@H+](CC1Cc2ccccc2C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000572773154 317389646 /nfs/dbraw/zinc/38/96/46/317389646.db2.gz DNUCRMMGEFEYHQ-UHFFFAOYSA-N 2 2 349.522 3.435 20 0 EGADLP C[N@@H+](CC1Cc2ccccc2C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000572773154 317389649 /nfs/dbraw/zinc/38/96/49/317389649.db2.gz DNUCRMMGEFEYHQ-UHFFFAOYSA-N 2 2 349.522 3.435 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000271576248 455690043 /nfs/dbraw/zinc/69/00/43/455690043.db2.gz ZWKRSJCUEIOKMN-IAQYHMDHSA-N 2 2 339.277 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000271576248 455690037 /nfs/dbraw/zinc/69/00/37/455690037.db2.gz ZWKRSJCUEIOKMN-IAQYHMDHSA-N 2 2 339.277 3.030 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344113 456114795 /nfs/dbraw/zinc/11/47/95/456114795.db2.gz UXKXWJMBUBXHCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344113 456114800 /nfs/dbraw/zinc/11/48/00/456114800.db2.gz UXKXWJMBUBXHCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344113 456114810 /nfs/dbraw/zinc/11/48/10/456114810.db2.gz UXKXWJMBUBXHCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@H]21 ZINC000227344113 456114817 /nfs/dbraw/zinc/11/48/17/456114817.db2.gz UXKXWJMBUBXHCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000228495054 456123579 /nfs/dbraw/zinc/12/35/79/456123579.db2.gz UWHAINGELGOCGG-OAHLLOKOSA-N 2 2 339.277 3.087 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000228495054 456123581 /nfs/dbraw/zinc/12/35/81/456123581.db2.gz UWHAINGELGOCGG-OAHLLOKOSA-N 2 2 339.277 3.087 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000230308285 456135534 /nfs/dbraw/zinc/13/55/34/456135534.db2.gz NAASTESAZTZILW-UHFFFAOYSA-N 2 2 333.220 3.303 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)cc1F ZINC000176749496 323333279 /nfs/dbraw/zinc/33/32/79/323333279.db2.gz MHUZACZQKUDUNU-UHFFFAOYSA-N 2 2 335.810 3.205 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCC2 ZINC000181471674 323484729 /nfs/dbraw/zinc/48/47/29/323484729.db2.gz UZJWAJHLKBDAEK-OALUTQOASA-N 2 2 325.456 3.369 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312722285 456593520 /nfs/dbraw/zinc/59/35/20/456593520.db2.gz RCTFTXFXBUWMTF-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312722285 456593531 /nfs/dbraw/zinc/59/35/31/456593531.db2.gz RCTFTXFXBUWMTF-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP CCn1ccnc1[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000577214446 324764767 /nfs/dbraw/zinc/76/47/67/324764767.db2.gz TWXYGKFCAZCTAC-CEXWTWQISA-N 2 2 340.471 3.105 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037916 456611628 /nfs/dbraw/zinc/61/16/28/456611628.db2.gz HXRYBGXQCCZHLT-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037916 456611635 /nfs/dbraw/zinc/61/16/35/456611635.db2.gz HXRYBGXQCCZHLT-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037916 456611642 /nfs/dbraw/zinc/61/16/42/456611642.db2.gz HXRYBGXQCCZHLT-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037916 456611649 /nfs/dbraw/zinc/61/16/49/456611649.db2.gz HXRYBGXQCCZHLT-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000579448754 325111509 /nfs/dbraw/zinc/11/15/09/325111509.db2.gz UFPHMYRCMDTHGW-LJQANCHMSA-N 2 2 338.411 3.091 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000579918021 325175411 /nfs/dbraw/zinc/17/54/11/325175411.db2.gz HNJURXMQORTREI-KRWDZBQOSA-N 2 2 343.862 3.429 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)ccn12 ZINC000579975536 325186461 /nfs/dbraw/zinc/18/64/61/325186461.db2.gz VPJOVMXPAKNIKA-DAYGRLMNSA-N 2 2 340.471 3.120 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)ccn12 ZINC000579975536 325186462 /nfs/dbraw/zinc/18/64/62/325186462.db2.gz VPJOVMXPAKNIKA-DAYGRLMNSA-N 2 2 340.471 3.120 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000580062300 325197155 /nfs/dbraw/zinc/19/71/55/325197155.db2.gz CDMDRQZRMNQQQN-ZACQAIPSSA-N 2 2 341.842 3.180 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000580326207 325235012 /nfs/dbraw/zinc/23/50/12/325235012.db2.gz LJUICCVWTPUUAS-PBHICJAKSA-N 2 2 338.879 3.069 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000580326207 325235016 /nfs/dbraw/zinc/23/50/16/325235016.db2.gz LJUICCVWTPUUAS-PBHICJAKSA-N 2 2 338.879 3.069 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000580475797 325255505 /nfs/dbraw/zinc/25/55/05/325255505.db2.gz NJCMKRNDOKICPF-SFHVURJKSA-N 3 2 332.536 3.146 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646959 325277733 /nfs/dbraw/zinc/27/77/33/325277733.db2.gz SCMGXTXMGNMFGY-ZWKOTPCHSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646959 325277738 /nfs/dbraw/zinc/27/77/38/325277738.db2.gz SCMGXTXMGNMFGY-ZWKOTPCHSA-N 2 2 347.547 3.022 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)n1C ZINC000581381298 325356989 /nfs/dbraw/zinc/35/69/89/325356989.db2.gz WTVABPXPMOWPSV-INIZCTEOSA-N 2 2 340.393 3.140 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CCc4ccccc43)c2cc1C ZINC000581721848 325385787 /nfs/dbraw/zinc/38/57/87/325385787.db2.gz SEEUEYSKXAWEPP-OALUTQOASA-N 2 2 349.478 3.334 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000581998065 325405739 /nfs/dbraw/zinc/40/57/39/325405739.db2.gz SEIOMQARULBBIR-XJKCOSOUSA-N 2 2 332.410 3.447 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1F ZINC000582414361 325439330 /nfs/dbraw/zinc/43/93/30/325439330.db2.gz BXXIYXNQUBYUDT-GBESFXJTSA-N 2 2 336.414 3.383 20 0 EGADLP Cn1cc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(F)c2)cn1 ZINC000180728241 455235308 /nfs/dbraw/zinc/23/53/08/455235308.db2.gz JZLPHNIMJHVKMV-IBGZPJMESA-N 2 2 339.418 3.135 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000376734713 458378165 /nfs/dbraw/zinc/37/81/65/458378165.db2.gz CLYWBGWZXMDQPS-KGLIPLIRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000376734713 458378169 /nfs/dbraw/zinc/37/81/69/458378169.db2.gz CLYWBGWZXMDQPS-KGLIPLIRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567166647 459057602 /nfs/dbraw/zinc/05/76/02/459057602.db2.gz IBKCAKGVYMVSMT-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567166647 459057609 /nfs/dbraw/zinc/05/76/09/459057609.db2.gz IBKCAKGVYMVSMT-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000173432966 455282002 /nfs/dbraw/zinc/28/20/02/455282002.db2.gz NCZCKEABRKKIBW-KBPBESRZSA-N 2 2 330.394 3.324 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245450855 455304038 /nfs/dbraw/zinc/30/40/38/455304038.db2.gz PALMVAZUNXRGLT-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245450855 455304041 /nfs/dbraw/zinc/30/40/41/455304041.db2.gz PALMVAZUNXRGLT-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000245645185 455347350 /nfs/dbraw/zinc/34/73/50/455347350.db2.gz FPOCUZMLJOEQLG-GOEBONIOSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000245645185 455347353 /nfs/dbraw/zinc/34/73/53/455347353.db2.gz FPOCUZMLJOEQLG-GOEBONIOSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000245645185 455347356 /nfs/dbraw/zinc/34/73/56/455347356.db2.gz FPOCUZMLJOEQLG-GOEBONIOSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2cccs2)n1 ZINC000245645185 455347361 /nfs/dbraw/zinc/34/73/61/455347361.db2.gz FPOCUZMLJOEQLG-GOEBONIOSA-N 2 2 330.501 3.065 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC1CC1 ZINC000623561523 460613889 /nfs/dbraw/zinc/61/38/89/460613889.db2.gz PSWAZIJOLHIPRL-ZWKOTPCHSA-N 2 2 330.472 3.343 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC1CC1 ZINC000623561523 460613892 /nfs/dbraw/zinc/61/38/92/460613892.db2.gz PSWAZIJOLHIPRL-ZWKOTPCHSA-N 2 2 330.472 3.343 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCCCC1 ZINC000024050917 453723516 /nfs/dbraw/zinc/72/35/16/453723516.db2.gz GHCWPYQCFAGXNP-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP COc1ccc(OC)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000030651658 453837408 /nfs/dbraw/zinc/83/74/08/453837408.db2.gz FDJIUFKJUQGIIQ-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH3+])CC2)cc1OCc1ccccc1 ZINC000032087305 453864273 /nfs/dbraw/zinc/86/42/73/453864273.db2.gz OWCUALWKXMJAHH-UHFFFAOYSA-N 2 2 326.440 3.197 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(COC)n2)CC1 ZINC000075642711 453914435 /nfs/dbraw/zinc/91/44/35/453914435.db2.gz IIVALJQHAQLDKZ-UHFFFAOYSA-N 2 2 325.522 3.233 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(COC)n2)CC1 ZINC000075642711 453914436 /nfs/dbraw/zinc/91/44/36/453914436.db2.gz IIVALJQHAQLDKZ-UHFFFAOYSA-N 2 2 325.522 3.233 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000076003623 453947771 /nfs/dbraw/zinc/94/77/71/453947771.db2.gz SNWVISFHZHFQTF-OALUTQOASA-N 2 2 345.531 3.144 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000076003623 453947773 /nfs/dbraw/zinc/94/77/73/453947773.db2.gz SNWVISFHZHFQTF-OALUTQOASA-N 2 2 345.531 3.144 20 0 EGADLP CC[N@@H+](Cc1noc(C(C)C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108710 453965208 /nfs/dbraw/zinc/96/52/08/453965208.db2.gz CKXPTLQQHPHEDY-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP CC[N@H+](Cc1noc(C(C)C)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108710 453965210 /nfs/dbraw/zinc/96/52/10/453965210.db2.gz CKXPTLQQHPHEDY-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP CC(C)N(C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000076110041 453965278 /nfs/dbraw/zinc/96/52/78/453965278.db2.gz FRLVEMLLZMSZCA-HXUWFJFHSA-N 2 2 345.531 3.086 20 0 EGADLP CC(C)N(C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000076110041 453965279 /nfs/dbraw/zinc/96/52/79/453965279.db2.gz FRLVEMLLZMSZCA-HXUWFJFHSA-N 2 2 345.531 3.086 20 0 EGADLP CC(C)N(C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000076110041 453965280 /nfs/dbraw/zinc/96/52/80/453965280.db2.gz FRLVEMLLZMSZCA-HXUWFJFHSA-N 2 2 345.531 3.086 20 0 EGADLP CC(C)N(C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000076110041 453965283 /nfs/dbraw/zinc/96/52/83/453965283.db2.gz FRLVEMLLZMSZCA-HXUWFJFHSA-N 2 2 345.531 3.086 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000076389540 453995733 /nfs/dbraw/zinc/99/57/33/453995733.db2.gz KQSFKJDGQASKHX-QGZVFWFLSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000076389540 453995734 /nfs/dbraw/zinc/99/57/34/453995734.db2.gz KQSFKJDGQASKHX-QGZVFWFLSA-N 2 2 348.450 3.071 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cn2)c[nH+]1 ZINC000084655915 454003725 /nfs/dbraw/zinc/00/37/25/454003725.db2.gz QESFMMZQDJJVGV-UHFFFAOYSA-N 2 2 333.439 3.026 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCCC2 ZINC000084672738 454004577 /nfs/dbraw/zinc/00/45/77/454004577.db2.gz RQJSLTWYRYJTGQ-ROUUACIJSA-N 2 2 340.471 3.485 20 0 EGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000265981726 455419741 /nfs/dbraw/zinc/41/97/41/455419741.db2.gz BRJCWCHCILXMLG-HUUCEWRRSA-N 2 2 340.414 3.003 20 0 EGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000265981726 455419743 /nfs/dbraw/zinc/41/97/43/455419743.db2.gz BRJCWCHCILXMLG-HUUCEWRRSA-N 2 2 340.414 3.003 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1 ZINC000089722289 454183619 /nfs/dbraw/zinc/18/36/19/454183619.db2.gz NLGNXDMBCITZFO-OPYAIIAOSA-N 2 2 339.483 3.349 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1 ZINC000089722289 454183624 /nfs/dbraw/zinc/18/36/24/454183624.db2.gz NLGNXDMBCITZFO-OPYAIIAOSA-N 2 2 339.483 3.349 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000130363884 454192728 /nfs/dbraw/zinc/19/27/28/454192728.db2.gz JWIZJZCTGUMZSL-UHFFFAOYSA-N 2 2 335.455 3.080 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000130363884 454192734 /nfs/dbraw/zinc/19/27/34/454192734.db2.gz JWIZJZCTGUMZSL-UHFFFAOYSA-N 2 2 335.455 3.080 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095423646 454209143 /nfs/dbraw/zinc/20/91/43/454209143.db2.gz MWNWWBCZCNTJQN-GOSISDBHSA-N 2 2 330.472 3.133 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926264 454236065 /nfs/dbraw/zinc/23/60/65/454236065.db2.gz NJEINDBUNCQUOX-ZDUSSCGKSA-N 2 2 338.377 3.322 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000634961749 460630457 /nfs/dbraw/zinc/63/04/57/460630457.db2.gz CMECQYJFEHCCIC-IBGZPJMESA-N 2 2 332.451 3.384 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000634961749 460630464 /nfs/dbraw/zinc/63/04/64/460630464.db2.gz CMECQYJFEHCCIC-IBGZPJMESA-N 2 2 332.451 3.384 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000131490412 454258443 /nfs/dbraw/zinc/25/84/43/454258443.db2.gz KGRMTMNUUKUCTG-FUHWJXTLSA-N 2 2 334.504 3.018 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000090047469 454266621 /nfs/dbraw/zinc/26/66/21/454266621.db2.gz WQEJBARWDKIPGH-KGLIPLIRSA-N 2 2 328.403 3.049 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131816774 454289831 /nfs/dbraw/zinc/28/98/31/454289831.db2.gz GNIYFEQMSWZLBX-SFHVURJKSA-N 2 2 339.439 3.044 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131816774 454289837 /nfs/dbraw/zinc/28/98/37/454289837.db2.gz GNIYFEQMSWZLBX-SFHVURJKSA-N 2 2 339.439 3.044 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000131896710 454296846 /nfs/dbraw/zinc/29/68/46/454296846.db2.gz ZKBSMJNFYZIEMR-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000131896710 454296850 /nfs/dbraw/zinc/29/68/50/454296850.db2.gz ZKBSMJNFYZIEMR-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP COc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000131936781 454299834 /nfs/dbraw/zinc/29/98/34/454299834.db2.gz JONYEJDSGRZGJO-LJQANCHMSA-N 2 2 325.387 3.410 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000078704791 454302813 /nfs/dbraw/zinc/30/28/13/454302813.db2.gz XUDUTUXEBICZQZ-ZGXWSNOMSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000078704791 454302820 /nfs/dbraw/zinc/30/28/20/454302820.db2.gz XUDUTUXEBICZQZ-ZGXWSNOMSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000078704791 454302824 /nfs/dbraw/zinc/30/28/24/454302824.db2.gz XUDUTUXEBICZQZ-ZGXWSNOMSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000078704791 454302829 /nfs/dbraw/zinc/30/28/29/454302829.db2.gz XUDUTUXEBICZQZ-ZGXWSNOMSA-N 2 2 349.563 3.077 20 0 EGADLP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1OC ZINC000090462124 454308865 /nfs/dbraw/zinc/30/88/65/454308865.db2.gz CDEYTIDAYOLOHD-OALUTQOASA-N 2 2 331.504 3.229 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090462129 454309535 /nfs/dbraw/zinc/30/95/35/454309535.db2.gz CDEYTIDAYOLOHD-RBUKOAKNSA-N 2 2 331.504 3.229 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000120516143 454314034 /nfs/dbraw/zinc/31/40/34/454314034.db2.gz DNWKFVFFXVQMAI-JSGCOSHPSA-N 2 2 328.378 3.343 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000120516143 454314040 /nfs/dbraw/zinc/31/40/40/454314040.db2.gz DNWKFVFFXVQMAI-JSGCOSHPSA-N 2 2 328.378 3.343 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000132145759 454317631 /nfs/dbraw/zinc/31/76/31/454317631.db2.gz VRYXLJSBLRZAEF-ZDUSSCGKSA-N 2 2 349.910 3.468 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000090846879 454345187 /nfs/dbraw/zinc/34/51/87/454345187.db2.gz ZSBDZMRLCWZNGS-HNNXBMFYSA-N 2 2 325.412 3.240 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860874 454352950 /nfs/dbraw/zinc/35/29/50/454352950.db2.gz CTIWMOWYMHRAJH-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860874 454352940 /nfs/dbraw/zinc/35/29/40/454352940.db2.gz CTIWMOWYMHRAJH-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860874 454352943 /nfs/dbraw/zinc/35/29/43/454352943.db2.gz CTIWMOWYMHRAJH-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860874 454352947 /nfs/dbraw/zinc/35/29/47/454352947.db2.gz CTIWMOWYMHRAJH-LJQANCHMSA-N 2 2 345.531 3.087 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000121043368 454382530 /nfs/dbraw/zinc/38/25/30/454382530.db2.gz VTBXWVSSMFPORV-LZQZEXGQSA-N 2 2 325.456 3.282 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C)cc1 ZINC000097033726 454391302 /nfs/dbraw/zinc/39/13/02/454391302.db2.gz KCIJZDANRGSWHW-CYBMUJFWSA-N 2 2 336.443 3.037 20 0 EGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)[nH]c2c1 ZINC000121484000 454441723 /nfs/dbraw/zinc/44/17/23/454441723.db2.gz SEGLAUHYNZPLEY-ZMYBRWDISA-N 2 2 325.456 3.433 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)[nH+]c12 ZINC000122072414 454508171 /nfs/dbraw/zinc/50/81/71/454508171.db2.gz AUTIVEIVQCPSPX-BZSNNMDCSA-N 2 2 325.456 3.123 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000092043491 454508250 /nfs/dbraw/zinc/50/82/50/454508250.db2.gz JOHXLAOYUCBBNX-SJLPKXTDSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1OC(C)C ZINC000092043491 454508254 /nfs/dbraw/zinc/50/82/54/454508254.db2.gz JOHXLAOYUCBBNX-SJLPKXTDSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1OC(C)C ZINC000092043491 454508258 /nfs/dbraw/zinc/50/82/58/454508258.db2.gz JOHXLAOYUCBBNX-SJLPKXTDSA-N 2 2 332.488 3.399 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1OC(C)C ZINC000092043491 454508260 /nfs/dbraw/zinc/50/82/60/454508260.db2.gz JOHXLAOYUCBBNX-SJLPKXTDSA-N 2 2 332.488 3.399 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066262 454513125 /nfs/dbraw/zinc/51/31/25/454513125.db2.gz QVWRQUBLTKQGPX-QAPCUYQASA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066262 454513128 /nfs/dbraw/zinc/51/31/28/454513128.db2.gz QVWRQUBLTKQGPX-QAPCUYQASA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066262 454513131 /nfs/dbraw/zinc/51/31/31/454513131.db2.gz QVWRQUBLTKQGPX-QAPCUYQASA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066262 454513135 /nfs/dbraw/zinc/51/31/35/454513135.db2.gz QVWRQUBLTKQGPX-QAPCUYQASA-N 2 2 340.471 3.427 20 0 EGADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134872351 454601331 /nfs/dbraw/zinc/60/13/31/454601331.db2.gz IGGGRNXCXGKAAO-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134872351 454601334 /nfs/dbraw/zinc/60/13/34/454601334.db2.gz IGGGRNXCXGKAAO-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134872351 454601336 /nfs/dbraw/zinc/60/13/36/454601336.db2.gz IGGGRNXCXGKAAO-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134872351 454601338 /nfs/dbraw/zinc/60/13/38/454601338.db2.gz IGGGRNXCXGKAAO-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000134914396 454608385 /nfs/dbraw/zinc/60/83/85/454608385.db2.gz PVTHPGXSMOSNHV-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000134914396 454608389 /nfs/dbraw/zinc/60/83/89/454608389.db2.gz PVTHPGXSMOSNHV-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000134914396 454608394 /nfs/dbraw/zinc/60/83/94/454608394.db2.gz PVTHPGXSMOSNHV-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000134914396 454608397 /nfs/dbraw/zinc/60/83/97/454608397.db2.gz PVTHPGXSMOSNHV-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000134929243 454610787 /nfs/dbraw/zinc/61/07/87/454610787.db2.gz UGFKCIIGVYJITB-XLIONFOSSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000134929243 454610794 /nfs/dbraw/zinc/61/07/94/454610794.db2.gz UGFKCIIGVYJITB-XLIONFOSSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000134929243 454610800 /nfs/dbraw/zinc/61/08/00/454610800.db2.gz UGFKCIIGVYJITB-XLIONFOSSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000134929243 454610802 /nfs/dbraw/zinc/61/08/02/454610802.db2.gz UGFKCIIGVYJITB-XLIONFOSSA-N 2 2 347.547 3.116 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000123539158 454648917 /nfs/dbraw/zinc/64/89/17/454648917.db2.gz SYQBFVZNHBCYLS-OAHLLOKOSA-N 2 2 335.398 3.476 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000123539158 454648919 /nfs/dbraw/zinc/64/89/19/454648919.db2.gz SYQBFVZNHBCYLS-OAHLLOKOSA-N 2 2 335.398 3.476 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961105 454658898 /nfs/dbraw/zinc/65/88/98/454658898.db2.gz PKRAQTMUAFBIIL-INIZCTEOSA-N 2 2 326.444 3.031 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961105 454658900 /nfs/dbraw/zinc/65/89/00/454658900.db2.gz PKRAQTMUAFBIIL-INIZCTEOSA-N 2 2 326.444 3.031 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000105875532 454661827 /nfs/dbraw/zinc/66/18/27/454661827.db2.gz SYYFJCGDUSZHOP-INIZCTEOSA-N 2 2 340.471 3.010 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974623 454663546 /nfs/dbraw/zinc/66/35/46/454663546.db2.gz RYSJKJVQTHAMLS-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974623 454663553 /nfs/dbraw/zinc/66/35/53/454663553.db2.gz RYSJKJVQTHAMLS-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000135836758 454704594 /nfs/dbraw/zinc/70/45/94/454704594.db2.gz OTFUKBKRFCKRII-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP FC(F)(F)c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000635007176 460649617 /nfs/dbraw/zinc/64/96/17/460649617.db2.gz FGNDVTIRAFWSIV-GJZGRUSLSA-N 2 2 348.796 3.215 20 0 EGADLP CC(C)CCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093412902 454713663 /nfs/dbraw/zinc/71/36/63/454713663.db2.gz HZQGVTIWNCUQDC-UHFFFAOYSA-N 2 2 348.531 3.390 20 0 EGADLP CC(C)CCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093412902 454713668 /nfs/dbraw/zinc/71/36/68/454713668.db2.gz HZQGVTIWNCUQDC-UHFFFAOYSA-N 2 2 348.531 3.390 20 0 EGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152811102 454728789 /nfs/dbraw/zinc/72/87/89/454728789.db2.gz VWIPIQWJMQPAJC-LJQANCHMSA-N 2 2 325.456 3.438 20 0 EGADLP CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000162017121 454746326 /nfs/dbraw/zinc/74/63/26/454746326.db2.gz DEDZAACBEMLMSJ-KRWDZBQOSA-N 2 2 341.455 3.428 20 0 EGADLP CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000162017121 454746328 /nfs/dbraw/zinc/74/63/28/454746328.db2.gz DEDZAACBEMLMSJ-KRWDZBQOSA-N 2 2 341.455 3.428 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162138232 454753811 /nfs/dbraw/zinc/75/38/11/454753811.db2.gz WOLGFSLPPZEUFC-WIYYLYMNSA-N 3 2 329.532 3.279 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(C)(=O)=O)cc1 ZINC000162918903 454808981 /nfs/dbraw/zinc/80/89/81/454808981.db2.gz LXOLQOJIYFOVAY-OAHLLOKOSA-N 2 2 347.484 3.028 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035120 454814100 /nfs/dbraw/zinc/81/41/00/454814100.db2.gz PAVIMRVKXWPJLX-ICSRJNTNSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035120 454814101 /nfs/dbraw/zinc/81/41/01/454814101.db2.gz PAVIMRVKXWPJLX-ICSRJNTNSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035120 454814105 /nfs/dbraw/zinc/81/41/05/454814105.db2.gz PAVIMRVKXWPJLX-ICSRJNTNSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035120 454814108 /nfs/dbraw/zinc/81/41/08/454814108.db2.gz PAVIMRVKXWPJLX-ICSRJNTNSA-N 2 2 345.531 3.087 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000153648014 454817448 /nfs/dbraw/zinc/81/74/48/454817448.db2.gz VDBHAIHQRCYUOU-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000153648014 454817451 /nfs/dbraw/zinc/81/74/51/454817451.db2.gz VDBHAIHQRCYUOU-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177168447 454831264 /nfs/dbraw/zinc/83/12/64/454831264.db2.gz OMFWWKGRNHIXMY-UHFFFAOYSA-N 3 2 341.503 3.211 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177168447 454831267 /nfs/dbraw/zinc/83/12/67/454831267.db2.gz OMFWWKGRNHIXMY-UHFFFAOYSA-N 3 2 341.503 3.211 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793723 454837392 /nfs/dbraw/zinc/83/73/92/454837392.db2.gz KKWIJULZYTZBCE-INIZCTEOSA-N 2 2 326.444 3.164 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000154304310 454883083 /nfs/dbraw/zinc/88/30/83/454883083.db2.gz ZJWNWXJRMOTRPZ-PXNSSMCTSA-N 2 2 328.456 3.442 20 0 EGADLP O=C(CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000164966649 454892066 /nfs/dbraw/zinc/89/20/66/454892066.db2.gz ALXZZVZKUBZDPM-HXUWFJFHSA-N 2 2 337.467 3.269 20 0 EGADLP O=C(CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000164966649 454892068 /nfs/dbraw/zinc/89/20/68/454892068.db2.gz ALXZZVZKUBZDPM-HXUWFJFHSA-N 2 2 337.467 3.269 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000165351936 454899102 /nfs/dbraw/zinc/89/91/02/454899102.db2.gz RMXRLZCBIJVECE-LJQANCHMSA-N 2 2 330.451 3.265 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000166275139 454909215 /nfs/dbraw/zinc/90/92/15/454909215.db2.gz RVTCDILFNQULAV-IBGZPJMESA-N 2 2 335.923 3.234 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000166275139 454909218 /nfs/dbraw/zinc/90/92/18/454909218.db2.gz RVTCDILFNQULAV-IBGZPJMESA-N 2 2 335.923 3.234 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166364238 454910642 /nfs/dbraw/zinc/91/06/42/454910642.db2.gz KDOBUIUFIIAVGO-QGZVFWFLSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(I)cc1 ZINC000154623772 454913718 /nfs/dbraw/zinc/91/37/18/454913718.db2.gz NWRVJPBCCRZICG-BXUZGUMPSA-N 2 2 344.240 3.036 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(I)cc1 ZINC000154623772 454913723 /nfs/dbraw/zinc/91/37/23/454913723.db2.gz NWRVJPBCCRZICG-BXUZGUMPSA-N 2 2 344.240 3.036 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550368 454913974 /nfs/dbraw/zinc/91/39/74/454913974.db2.gz AKXLNEPSSXBWSX-YPMHNXCESA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550368 454913976 /nfs/dbraw/zinc/91/39/76/454913976.db2.gz AKXLNEPSSXBWSX-YPMHNXCESA-N 2 2 334.261 3.309 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000166997513 454917318 /nfs/dbraw/zinc/91/73/18/454917318.db2.gz SMAOISVPNUZILH-KXBFYZLASA-N 2 2 342.487 3.195 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000166997513 454917323 /nfs/dbraw/zinc/91/73/23/454917323.db2.gz SMAOISVPNUZILH-KXBFYZLASA-N 2 2 342.487 3.195 20 0 EGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC1=CCCOC1 ZINC000127272563 454949537 /nfs/dbraw/zinc/94/95/37/454949537.db2.gz HIXYZBPBAJUPPE-FQEVSTJZSA-N 2 2 328.500 3.396 20 0 EGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC1=CCCOC1 ZINC000127272563 454949542 /nfs/dbraw/zinc/94/95/42/454949542.db2.gz HIXYZBPBAJUPPE-FQEVSTJZSA-N 2 2 328.500 3.396 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)cc12 ZINC000114772157 454977086 /nfs/dbraw/zinc/97/70/86/454977086.db2.gz WYJWSLOSLUPANY-LJQANCHMSA-N 2 2 349.482 3.031 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)cc12 ZINC000114772157 454977092 /nfs/dbraw/zinc/97/70/92/454977092.db2.gz WYJWSLOSLUPANY-LJQANCHMSA-N 2 2 349.482 3.031 20 0 EGADLP Cn1c2ccccc2[nH+]c1NCc1ccccc1C[NH+]1CCOCC1 ZINC000178800749 454978376 /nfs/dbraw/zinc/97/83/76/454978376.db2.gz QRYNPZWSPFGETA-UHFFFAOYSA-N 2 2 336.439 3.018 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000127823322 455000904 /nfs/dbraw/zinc/00/09/04/455000904.db2.gz OLLTYRXSVOKLPQ-INIZCTEOSA-N 3 2 333.495 3.077 20 0 EGADLP CCc1ccc(-c2ccc(C[N@H+](CCO)C3CC[NH+](C)CC3)o2)cc1 ZINC000155509487 455010299 /nfs/dbraw/zinc/01/02/99/455010299.db2.gz RRRACWRMRWJCFH-UHFFFAOYSA-N 2 2 342.483 3.398 20 0 EGADLP CCc1ccc(-c2ccc(C[N@@H+](CCO)C3CC[NH+](C)CC3)o2)cc1 ZINC000155509487 455010302 /nfs/dbraw/zinc/01/03/02/455010302.db2.gz RRRACWRMRWJCFH-UHFFFAOYSA-N 2 2 342.483 3.398 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000151726063 455022388 /nfs/dbraw/zinc/02/23/88/455022388.db2.gz XZBKGMLNWIVDPK-HNNXBMFYSA-N 2 2 336.501 3.151 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000151726063 455022390 /nfs/dbraw/zinc/02/23/90/455022390.db2.gz XZBKGMLNWIVDPK-HNNXBMFYSA-N 2 2 336.501 3.151 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791810 455031237 /nfs/dbraw/zinc/03/12/37/455031237.db2.gz LMKDRFMNQVOCMU-VLIAUNLRSA-N 2 2 346.421 3.035 20 0 EGADLP C[NH+](C)CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000116231287 455049067 /nfs/dbraw/zinc/04/90/67/455049067.db2.gz JGPNBTBGRQKEHT-SFHVURJKSA-N 2 2 342.487 3.028 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145791 455078833 /nfs/dbraw/zinc/07/88/33/455078833.db2.gz IYHUZDPWXWEMCM-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145791 455078837 /nfs/dbraw/zinc/07/88/37/455078837.db2.gz IYHUZDPWXWEMCM-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145791 455078841 /nfs/dbraw/zinc/07/88/41/455078841.db2.gz IYHUZDPWXWEMCM-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145791 455078843 /nfs/dbraw/zinc/07/88/43/455078843.db2.gz IYHUZDPWXWEMCM-GJZGRUSLSA-N 2 2 344.459 3.080 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccncc3)CC2)c1 ZINC000156422086 455116735 /nfs/dbraw/zinc/11/67/35/455116735.db2.gz SQEBOWYTPZHRPB-IBGZPJMESA-N 2 2 338.499 3.253 20 0 EGADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)[NH+](C)C ZINC000152586870 455140203 /nfs/dbraw/zinc/14/02/03/455140203.db2.gz QJYXXMLAZHPKBV-AWEZNQCLSA-N 2 2 339.911 3.007 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000156642217 455140981 /nfs/dbraw/zinc/14/09/81/455140981.db2.gz KQUYIZLSZZLQLZ-PRLABOORSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000156642217 455140982 /nfs/dbraw/zinc/14/09/82/455140982.db2.gz KQUYIZLSZZLQLZ-PRLABOORSA-N 2 2 337.508 3.037 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(Br)c1 ZINC000623657359 460664553 /nfs/dbraw/zinc/66/45/53/460664553.db2.gz ORTDBOURTGHAJI-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000623657359 460664560 /nfs/dbraw/zinc/66/45/60/460664560.db2.gz ORTDBOURTGHAJI-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000156712281 455146200 /nfs/dbraw/zinc/14/62/00/455146200.db2.gz WEZDXUWUZYZCBT-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000180422145 455166821 /nfs/dbraw/zinc/16/68/21/455166821.db2.gz GNFQMINIMDSYPG-FQEVSTJZSA-N 2 2 326.484 3.090 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000180422145 455166825 /nfs/dbraw/zinc/16/68/25/455166825.db2.gz GNFQMINIMDSYPG-FQEVSTJZSA-N 2 2 326.484 3.090 20 0 EGADLP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157268815 455178155 /nfs/dbraw/zinc/17/81/55/455178155.db2.gz ZWGNFJWOWMGUHQ-LJQANCHMSA-N 2 2 329.488 3.138 20 0 EGADLP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157268815 455178160 /nfs/dbraw/zinc/17/81/60/455178160.db2.gz ZWGNFJWOWMGUHQ-LJQANCHMSA-N 2 2 329.488 3.138 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CCCCCCC3)CC2)CC1 ZINC000172884148 455203128 /nfs/dbraw/zinc/20/31/28/455203128.db2.gz OPVAFYMKAZCKAC-UHFFFAOYSA-N 2 2 335.536 3.022 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181083481 455284975 /nfs/dbraw/zinc/28/49/75/455284975.db2.gz NTQAAEOUCCGPKS-MRXNPFEDSA-N 2 2 342.487 3.357 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181083481 455284980 /nfs/dbraw/zinc/28/49/80/455284980.db2.gz NTQAAEOUCCGPKS-MRXNPFEDSA-N 2 2 342.487 3.357 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245606415 455339287 /nfs/dbraw/zinc/33/92/87/455339287.db2.gz NHRYMRIKZVLFFW-BXWFABGCSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245606415 455339294 /nfs/dbraw/zinc/33/92/94/455339294.db2.gz NHRYMRIKZVLFFW-BXWFABGCSA-N 2 2 340.471 3.356 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCCO[C@@H]21 ZINC000181471240 455339601 /nfs/dbraw/zinc/33/96/01/455339601.db2.gz JBZAPGGYWNGGNP-OTWHNJEPSA-N 2 2 325.456 3.225 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000159035354 455346717 /nfs/dbraw/zinc/34/67/17/455346717.db2.gz HZOIEDLEDHPPRP-OAHLLOKOSA-N 2 2 332.492 3.424 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000159035354 455346723 /nfs/dbraw/zinc/34/67/23/455346723.db2.gz HZOIEDLEDHPPRP-OAHLLOKOSA-N 2 2 332.492 3.424 20 0 EGADLP CN(C(=O)C[C@@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737274 455369053 /nfs/dbraw/zinc/36/90/53/455369053.db2.gz TYXHMSWRNUBONY-MISYRCLQSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)C[C@@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737274 455369057 /nfs/dbraw/zinc/36/90/57/455369057.db2.gz TYXHMSWRNUBONY-MISYRCLQSA-N 2 2 347.547 3.138 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266895708 455470510 /nfs/dbraw/zinc/47/05/10/455470510.db2.gz DZJFNYOAWKFJQF-UONOGXRCSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266895708 455470513 /nfs/dbraw/zinc/47/05/13/455470513.db2.gz DZJFNYOAWKFJQF-UONOGXRCSA-N 2 2 344.484 3.338 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@]2([NH+](C)C)CCSC2)c1C ZINC000267088758 455499467 /nfs/dbraw/zinc/49/94/67/455499467.db2.gz LZZCCKBAHBQEQA-SFHVURJKSA-N 2 2 343.500 3.005 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000191583772 455499526 /nfs/dbraw/zinc/49/95/26/455499526.db2.gz BRDMYJGIZDSSTD-YLJYHZDGSA-N 2 2 335.451 3.435 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000247083145 455556969 /nfs/dbraw/zinc/55/69/69/455556969.db2.gz NPQCASRWBYCWHY-ZNWBIBPKSA-N 2 2 331.504 3.085 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000247083145 455556972 /nfs/dbraw/zinc/55/69/72/455556972.db2.gz NPQCASRWBYCWHY-ZNWBIBPKSA-N 2 2 331.504 3.085 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000247124463 455562694 /nfs/dbraw/zinc/56/26/94/455562694.db2.gz PYBMMICBIRLVPR-DABHTEOTSA-N 2 2 328.500 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000247124463 455562696 /nfs/dbraw/zinc/56/26/96/455562696.db2.gz PYBMMICBIRLVPR-DABHTEOTSA-N 2 2 328.500 3.443 20 0 EGADLP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000267995892 455576655 /nfs/dbraw/zinc/57/66/55/455576655.db2.gz AIVZSHSVRDONQX-ACBHZAAOSA-N 2 2 340.471 3.268 20 0 EGADLP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000267995892 455576659 /nfs/dbraw/zinc/57/66/59/455576659.db2.gz AIVZSHSVRDONQX-ACBHZAAOSA-N 2 2 340.471 3.268 20 0 EGADLP Clc1ncccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357486 455595822 /nfs/dbraw/zinc/59/58/22/455595822.db2.gz KJUWQRFEPLIBMI-SFHVURJKSA-N 2 2 345.874 3.116 20 0 EGADLP Clc1ncccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357486 455595827 /nfs/dbraw/zinc/59/58/27/455595827.db2.gz KJUWQRFEPLIBMI-SFHVURJKSA-N 2 2 345.874 3.116 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688634 455596709 /nfs/dbraw/zinc/59/67/09/455596709.db2.gz MCFDODXHYORAMN-UONOGXRCSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688634 455596711 /nfs/dbraw/zinc/59/67/11/455596711.db2.gz MCFDODXHYORAMN-UONOGXRCSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277601053 455611074 /nfs/dbraw/zinc/61/10/74/455611074.db2.gz PXYUTVPJOIUCFW-WBMJQRKESA-N 2 2 345.830 3.255 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000247513172 455615514 /nfs/dbraw/zinc/61/55/14/455615514.db2.gz MSBDOQUFNPHCHI-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000247513172 455615520 /nfs/dbraw/zinc/61/55/20/455615520.db2.gz MSBDOQUFNPHCHI-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1ccoc1C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000292289418 455620512 /nfs/dbraw/zinc/62/05/12/455620512.db2.gz MBHANEUBMRGJIQ-MRXNPFEDSA-N 2 2 327.428 3.047 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192499177 455631372 /nfs/dbraw/zinc/63/13/72/455631372.db2.gz BHTUYYPLEDFDJA-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192499177 455631375 /nfs/dbraw/zinc/63/13/75/455631375.db2.gz BHTUYYPLEDFDJA-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000271491488 455658274 /nfs/dbraw/zinc/65/82/74/455658274.db2.gz UMFQXCRLAAFUBA-IBGZPJMESA-N 2 2 338.499 3.253 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981592 455665158 /nfs/dbraw/zinc/66/51/58/455665158.db2.gz MWRLAULIQMHGBW-HRQSHJORSA-N 2 2 347.547 3.396 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981592 455665163 /nfs/dbraw/zinc/66/51/63/455665163.db2.gz MWRLAULIQMHGBW-HRQSHJORSA-N 2 2 347.547 3.396 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1 ZINC000284404430 455680177 /nfs/dbraw/zinc/68/01/77/455680177.db2.gz PZHHXQKSHJNLIY-UHFFFAOYSA-N 2 2 326.488 3.386 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1 ZINC000284404430 455680182 /nfs/dbraw/zinc/68/01/82/455680182.db2.gz PZHHXQKSHJNLIY-UHFFFAOYSA-N 2 2 326.488 3.386 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000268899560 455723665 /nfs/dbraw/zinc/72/36/65/455723665.db2.gz QQEQLKHBYPLXQS-VQIMIIECSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000268899560 455723669 /nfs/dbraw/zinc/72/36/69/455723669.db2.gz QQEQLKHBYPLXQS-VQIMIIECSA-N 2 2 325.456 3.090 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000271782749 455758462 /nfs/dbraw/zinc/75/84/62/455758462.db2.gz HBNPIABHMCKHAO-CYBMUJFWSA-N 2 2 340.414 3.033 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000271791702 455761768 /nfs/dbraw/zinc/76/17/68/455761768.db2.gz JBDBMRGETWDMQV-PMACEKPBSA-N 2 2 344.499 3.330 20 0 EGADLP CCC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000271800694 455765184 /nfs/dbraw/zinc/76/51/84/455765184.db2.gz LGPVZADRBFASRO-HXUWFJFHSA-N 2 2 346.515 3.405 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271819460 455773375 /nfs/dbraw/zinc/77/33/75/455773375.db2.gz MRSWGETZTUGYFG-QAPCUYQASA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271819460 455773379 /nfs/dbraw/zinc/77/33/79/455773379.db2.gz MRSWGETZTUGYFG-QAPCUYQASA-N 2 2 342.439 3.066 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827350 455777310 /nfs/dbraw/zinc/77/73/10/455777310.db2.gz DIUZWYXULDNPSZ-SWLSCSKDSA-N 2 2 349.862 3.077 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Cl)ccc2o1 ZINC000271827350 455777314 /nfs/dbraw/zinc/77/73/14/455777314.db2.gz DIUZWYXULDNPSZ-SWLSCSKDSA-N 2 2 349.862 3.077 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249863703 455779392 /nfs/dbraw/zinc/77/93/92/455779392.db2.gz BAFDGRLJAVKOAG-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000249863703 455779397 /nfs/dbraw/zinc/77/93/97/455779397.db2.gz BAFDGRLJAVKOAG-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249863703 455779402 /nfs/dbraw/zinc/77/94/02/455779402.db2.gz BAFDGRLJAVKOAG-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249863703 455779406 /nfs/dbraw/zinc/77/94/06/455779406.db2.gz BAFDGRLJAVKOAG-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc(OC)ccc2Br)CC[C@H]1[NH3+] ZINC000251912145 455799007 /nfs/dbraw/zinc/79/90/07/455799007.db2.gz XUGXVMXCQGTBLM-XHDPSFHLSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2Br)CC[C@H]1[NH3+] ZINC000251912145 455799013 /nfs/dbraw/zinc/79/90/13/455799013.db2.gz XUGXVMXCQGTBLM-XHDPSFHLSA-N 2 2 327.266 3.017 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000252216392 455803224 /nfs/dbraw/zinc/80/32/24/455803224.db2.gz XUDUTUXEBICZQZ-WCIQWLHISA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000252216392 455803231 /nfs/dbraw/zinc/80/32/31/455803231.db2.gz XUDUTUXEBICZQZ-WCIQWLHISA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000252216392 455803238 /nfs/dbraw/zinc/80/32/38/455803238.db2.gz XUDUTUXEBICZQZ-WCIQWLHISA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000252216392 455803244 /nfs/dbraw/zinc/80/32/44/455803244.db2.gz XUDUTUXEBICZQZ-WCIQWLHISA-N 2 2 349.563 3.077 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@H]3COC4(CCCCCC4)O3)CC2)[nH+]c1 ZINC000272031068 455826389 /nfs/dbraw/zinc/82/63/89/455826389.db2.gz OXCDFLFXLGHIGC-SFHVURJKSA-N 2 2 345.487 3.106 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285343666 455828161 /nfs/dbraw/zinc/82/81/61/455828161.db2.gz AHCZPYWQTGRONM-BXEVVDMOSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285343666 455828162 /nfs/dbraw/zinc/82/81/62/455828162.db2.gz AHCZPYWQTGRONM-BXEVVDMOSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000285343666 455828163 /nfs/dbraw/zinc/82/81/63/455828163.db2.gz AHCZPYWQTGRONM-BXEVVDMOSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000285343666 455828164 /nfs/dbraw/zinc/82/81/64/455828164.db2.gz AHCZPYWQTGRONM-BXEVVDMOSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1nccs1 ZINC000272208362 455877202 /nfs/dbraw/zinc/87/72/02/455877202.db2.gz KGBVJMVDJNYLKC-CYBMUJFWSA-N 2 2 331.489 3.242 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272206665 455877366 /nfs/dbraw/zinc/87/73/66/455877366.db2.gz POKJBDHGRDUCLU-RDJZCZTQSA-N 2 2 345.512 3.290 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272206665 455877370 /nfs/dbraw/zinc/87/73/70/455877370.db2.gz POKJBDHGRDUCLU-RDJZCZTQSA-N 2 2 345.512 3.290 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)s1 ZINC000296207423 455880582 /nfs/dbraw/zinc/88/05/82/455880582.db2.gz ZMMNTFBHCPHPNV-LLVKDONJSA-N 2 2 348.859 3.325 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCS2 ZINC000187229702 455884733 /nfs/dbraw/zinc/88/47/33/455884733.db2.gz SXWDPWDVCFFJKP-RDTXWAMCSA-N 2 2 334.529 3.398 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2cc(Br)ccc2o1 ZINC000285729579 455905904 /nfs/dbraw/zinc/90/59/04/455905904.db2.gz UINLIEMSFWWNHP-UHFFFAOYSA-N 2 2 349.232 3.309 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2cc(Br)ccc2o1 ZINC000285729579 455905909 /nfs/dbraw/zinc/90/59/09/455905909.db2.gz UINLIEMSFWWNHP-UHFFFAOYSA-N 2 2 349.232 3.309 20 0 EGADLP c1c[nH+]c([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2cccnc2)[nH]1 ZINC000194972951 455907867 /nfs/dbraw/zinc/90/78/67/455907867.db2.gz OJKNGMHYBREAOY-FQEVSTJZSA-N 2 2 347.466 3.280 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c(Cl)c3)C[C@H]12 ZINC000261579993 455908935 /nfs/dbraw/zinc/90/89/35/455908935.db2.gz PVDPFXYHSVZMIT-COPLHBTASA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c(Cl)c3)C[C@H]12 ZINC000261579993 455908939 /nfs/dbraw/zinc/90/89/39/455908939.db2.gz PVDPFXYHSVZMIT-COPLHBTASA-N 2 2 329.669 3.272 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000261603372 455911033 /nfs/dbraw/zinc/91/10/33/455911033.db2.gz CCFAEFUJNSAFDS-LJQANCHMSA-N 2 2 325.456 3.028 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])c1ccc(C)cc1)c1ccccc1 ZINC000261603372 455911040 /nfs/dbraw/zinc/91/10/40/455911040.db2.gz CCFAEFUJNSAFDS-LJQANCHMSA-N 2 2 325.456 3.028 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000280193673 455913015 /nfs/dbraw/zinc/91/30/15/455913015.db2.gz HJFAFJVVQDJCIC-ZXFNITATSA-N 2 2 332.488 3.268 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000280193673 455913019 /nfs/dbraw/zinc/91/30/19/455913019.db2.gz HJFAFJVVQDJCIC-ZXFNITATSA-N 2 2 332.488 3.268 20 0 EGADLP C[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195031714 455914592 /nfs/dbraw/zinc/91/45/92/455914592.db2.gz DWTIGDWDVWDHQA-APWZRJJASA-N 2 2 335.455 3.004 20 0 EGADLP C[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195031714 455914596 /nfs/dbraw/zinc/91/45/96/455914596.db2.gz DWTIGDWDVWDHQA-APWZRJJASA-N 2 2 335.455 3.004 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000261660474 455923653 /nfs/dbraw/zinc/92/36/53/455923653.db2.gz FPDGEXWJPSVDFM-FUHWJXTLSA-N 2 2 338.879 3.069 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000261660474 455923655 /nfs/dbraw/zinc/92/36/55/455923655.db2.gz FPDGEXWJPSVDFM-FUHWJXTLSA-N 2 2 338.879 3.069 20 0 EGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C)c1 ZINC000285854659 455928244 /nfs/dbraw/zinc/92/82/44/455928244.db2.gz ZGCOCGUGSWQTPW-RAFMOHDBSA-N 2 2 343.515 3.119 20 0 EGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C)c1 ZINC000285854659 455928251 /nfs/dbraw/zinc/92/82/51/455928251.db2.gz ZGCOCGUGSWQTPW-RAFMOHDBSA-N 2 2 343.515 3.119 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)c1 ZINC000261701838 455930966 /nfs/dbraw/zinc/93/09/66/455930966.db2.gz OTOFFZBCPOZQKD-ZCNNSNEGSA-N 2 2 325.456 3.032 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000280290591 455937893 /nfs/dbraw/zinc/93/78/93/455937893.db2.gz OETCNAOGJHDOBT-OAHLLOKOSA-N 2 2 346.393 3.081 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC ZINC000261753463 455941445 /nfs/dbraw/zinc/94/14/45/455941445.db2.gz QKALYFODCASBFR-ZWKOTPCHSA-N 2 2 326.440 3.021 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC ZINC000261753463 455941449 /nfs/dbraw/zinc/94/14/49/455941449.db2.gz QKALYFODCASBFR-ZWKOTPCHSA-N 2 2 326.440 3.021 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261786984 455947013 /nfs/dbraw/zinc/94/70/13/455947013.db2.gz PTMFQZPGNURZIP-UWWQBHOKSA-N 2 2 349.906 3.063 20 0 EGADLP CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000296514260 455960215 /nfs/dbraw/zinc/96/02/15/455960215.db2.gz PPLQIBAVMSWTSN-QAPCUYQASA-N 2 2 328.460 3.026 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000195466922 455964590 /nfs/dbraw/zinc/96/45/90/455964590.db2.gz ASDPBKUMUOSEKW-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000195466922 455964596 /nfs/dbraw/zinc/96/45/96/455964596.db2.gz ASDPBKUMUOSEKW-GASCZTMLSA-N 2 2 341.952 3.392 20 0 EGADLP Cc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)c(-c2ccnn2C)c1 ZINC000261983706 455980760 /nfs/dbraw/zinc/98/07/60/455980760.db2.gz RRRHDCFFERKDGH-UHFFFAOYSA-N 2 2 334.467 3.356 20 0 EGADLP Cc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)c(-c2ccnn2C)c1 ZINC000261983706 455980767 /nfs/dbraw/zinc/98/07/67/455980767.db2.gz RRRHDCFFERKDGH-UHFFFAOYSA-N 2 2 334.467 3.356 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286181234 455995704 /nfs/dbraw/zinc/99/57/04/455995704.db2.gz QWJNWVUCXPXUKH-GRDNDAEWSA-N 2 2 332.488 3.158 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286181234 455995708 /nfs/dbraw/zinc/99/57/08/455995708.db2.gz QWJNWVUCXPXUKH-GRDNDAEWSA-N 2 2 332.488 3.158 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664224 456030952 /nfs/dbraw/zinc/03/09/52/456030952.db2.gz RZKULVXKHIEFDD-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664224 456030960 /nfs/dbraw/zinc/03/09/60/456030960.db2.gz RZKULVXKHIEFDD-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664224 456030965 /nfs/dbraw/zinc/03/09/65/456030965.db2.gz RZKULVXKHIEFDD-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664224 456030971 /nfs/dbraw/zinc/03/09/71/456030971.db2.gz RZKULVXKHIEFDD-GHTZIAJQSA-N 2 2 337.467 3.187 20 0 EGADLP COc1ccc(C[C@](C)([NH3+])CNc2cc(C)[nH+]c(C3CC3)n2)cc1 ZINC000270970604 456081063 /nfs/dbraw/zinc/08/10/63/456081063.db2.gz QBJJQNPVTMBDKE-IBGZPJMESA-N 2 2 326.444 3.043 20 0 EGADLP COCC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000297012560 456092300 /nfs/dbraw/zinc/09/23/00/456092300.db2.gz WSIIDXQHGIPTFK-CBNMVNINSA-N 2 2 346.515 3.072 20 0 EGADLP COCC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000297012560 456092303 /nfs/dbraw/zinc/09/23/03/456092303.db2.gz WSIIDXQHGIPTFK-CBNMVNINSA-N 2 2 346.515 3.072 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000297018194 456093524 /nfs/dbraw/zinc/09/35/24/456093524.db2.gz GTUYMCURFRUBSL-UHFFFAOYSA-N 2 2 338.879 3.431 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000297018194 456093528 /nfs/dbraw/zinc/09/35/28/456093528.db2.gz GTUYMCURFRUBSL-UHFFFAOYSA-N 2 2 338.879 3.431 20 0 EGADLP c1c[nH+]c([C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997602 456104855 /nfs/dbraw/zinc/10/48/55/456104855.db2.gz KLSCFFJIWPQSHZ-RBUKOAKNSA-N 2 2 339.487 3.281 20 0 EGADLP c1c[nH+]c([C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997602 456104859 /nfs/dbraw/zinc/10/48/59/456104859.db2.gz KLSCFFJIWPQSHZ-RBUKOAKNSA-N 2 2 339.487 3.281 20 0 EGADLP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000188771850 456132071 /nfs/dbraw/zinc/13/20/71/456132071.db2.gz URHXGTOEPUWJHG-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301577060 456150538 /nfs/dbraw/zinc/15/05/38/456150538.db2.gz ZATQAXFTVCNGHR-UHFFFAOYSA-N 3 2 332.879 3.326 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)o2)cc1 ZINC000236627207 456160305 /nfs/dbraw/zinc/16/03/05/456160305.db2.gz UAUJGUJFSSPAIL-LJQANCHMSA-N 2 2 342.483 3.437 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)Cc2ccccc2C)n1-c1ccccc1 ZINC000188923478 456171081 /nfs/dbraw/zinc/17/10/81/456171081.db2.gz KVVUJFAXCYGJGT-IBGZPJMESA-N 2 2 335.451 3.182 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H](O)c1c(F)cccc1F ZINC000271204911 456171692 /nfs/dbraw/zinc/17/16/92/456171692.db2.gz BYKDCIQAWRNUQC-YJBOKZPZSA-N 2 2 331.366 3.214 20 0 EGADLP COc1cccc2c(N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000301669170 456180525 /nfs/dbraw/zinc/18/05/25/456180525.db2.gz MYJKIQOTOOXBAK-LSDHHAIUSA-N 2 2 329.444 3.073 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2[nH+]c1C1CC1 ZINC000333240972 456185696 /nfs/dbraw/zinc/18/56/96/456185696.db2.gz DVVCZFKSIFJDOJ-MRXNPFEDSA-N 2 2 326.444 3.167 20 0 EGADLP CC[N@H+](CCCNC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846010 456191899 /nfs/dbraw/zinc/19/18/99/456191899.db2.gz RMGSLLLLLFMFTF-FQEVSTJZSA-N 2 2 339.483 3.499 20 0 EGADLP CC[N@@H+](CCCNC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236846010 456191904 /nfs/dbraw/zinc/19/19/04/456191904.db2.gz RMGSLLLLLFMFTF-FQEVSTJZSA-N 2 2 339.483 3.499 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2[nH+]1 ZINC000236947691 456207295 /nfs/dbraw/zinc/20/72/95/456207295.db2.gz DSAHECAZLASSQP-CQSZACIVSA-N 2 2 326.444 3.234 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000290036634 456222975 /nfs/dbraw/zinc/22/29/75/456222975.db2.gz SGDPMBJZZDATSZ-MSOLQXFVSA-N 2 2 338.455 3.213 20 0 EGADLP CC[NH+](CC)[C@H](CNc1nc(N)c2ccccc2[nH+]1)c1ccco1 ZINC000301883988 456242336 /nfs/dbraw/zinc/24/23/36/456242336.db2.gz NSPABAKOYUWHJV-OAHLLOKOSA-N 2 2 325.416 3.300 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2[nH+]1 ZINC000620649945 460720978 /nfs/dbraw/zinc/72/09/78/460720978.db2.gz HXKDFQIXRBTODE-OAHLLOKOSA-N 2 2 326.444 3.236 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2[nH+]1 ZINC000620649945 460720984 /nfs/dbraw/zinc/72/09/84/460720984.db2.gz HXKDFQIXRBTODE-OAHLLOKOSA-N 2 2 326.444 3.236 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)n1C ZINC000623798746 460721655 /nfs/dbraw/zinc/72/16/55/460721655.db2.gz CKQAERGPLDWNGQ-HNNXBMFYSA-N 2 2 328.243 3.249 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3nnc(C(C)(C)C)[nH]3)CC2)C1 ZINC000333820701 456266051 /nfs/dbraw/zinc/26/60/51/456266051.db2.gz IXEGKLOTCMORAQ-GDBMZVCRSA-N 2 2 333.524 3.235 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073757 456279585 /nfs/dbraw/zinc/27/95/85/456279585.db2.gz VGPKHEBNGFXACZ-CVEARBPZSA-N 2 2 339.487 3.303 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073757 456279588 /nfs/dbraw/zinc/27/95/88/456279588.db2.gz VGPKHEBNGFXACZ-CVEARBPZSA-N 2 2 339.487 3.303 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)s1 ZINC000352765637 456287847 /nfs/dbraw/zinc/28/78/47/456287847.db2.gz QGCFSEXUVXHIRM-SJLPKXTDSA-N 2 2 349.475 3.354 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000352778520 456298536 /nfs/dbraw/zinc/29/85/36/456298536.db2.gz HOFQQOBOTANBLW-FUHWJXTLSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnc([C@H](C)O)s1)c1ccccc1 ZINC000290359349 456304128 /nfs/dbraw/zinc/30/41/28/456304128.db2.gz MQZWLJHENXWUKU-KGLIPLIRSA-N 2 2 333.501 3.415 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000337019351 456321354 /nfs/dbraw/zinc/32/13/54/456321354.db2.gz PHEXOOBCVURLOY-SUMWQHHRSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000337019351 456321361 /nfs/dbraw/zinc/32/13/61/456321361.db2.gz PHEXOOBCVURLOY-SUMWQHHRSA-N 2 2 328.435 3.166 20 0 EGADLP C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985460 456338745 /nfs/dbraw/zinc/33/87/45/456338745.db2.gz YJDYEDVXNHGPEL-SJLPKXTDSA-N 2 2 340.471 3.014 20 0 EGADLP C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985460 456338747 /nfs/dbraw/zinc/33/87/47/456338747.db2.gz YJDYEDVXNHGPEL-SJLPKXTDSA-N 2 2 340.471 3.014 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744130 456344403 /nfs/dbraw/zinc/34/44/03/456344403.db2.gz RJQQORZSXRWWCV-NQIIRXRSSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000347744130 456344405 /nfs/dbraw/zinc/34/44/05/456344405.db2.gz RJQQORZSXRWWCV-NQIIRXRSSA-N 3 2 329.532 3.348 20 0 EGADLP Fc1ccc(-n2cc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)cc1 ZINC000342999625 456348210 /nfs/dbraw/zinc/34/82/10/456348210.db2.gz JXDLQAAWDDEAOK-UHFFFAOYSA-N 2 2 328.435 3.118 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939547 456354256 /nfs/dbraw/zinc/35/42/56/456354256.db2.gz YROYKDYFBLYNCV-WOJBJXKFSA-N 2 2 341.503 3.182 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939547 456354258 /nfs/dbraw/zinc/35/42/58/456354258.db2.gz YROYKDYFBLYNCV-WOJBJXKFSA-N 2 2 341.503 3.182 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557597 456364296 /nfs/dbraw/zinc/36/42/96/456364296.db2.gz SDVNLMMVOPLOKB-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557597 456364301 /nfs/dbraw/zinc/36/43/01/456364301.db2.gz SDVNLMMVOPLOKB-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557597 456364305 /nfs/dbraw/zinc/36/43/05/456364305.db2.gz SDVNLMMVOPLOKB-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(Cl)c1OC ZINC000290557597 456364307 /nfs/dbraw/zinc/36/43/07/456364307.db2.gz SDVNLMMVOPLOKB-DZGCQCFKSA-N 2 2 338.879 3.273 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000340319363 456386598 /nfs/dbraw/zinc/38/65/98/456386598.db2.gz UMCSQLCMIDPFIE-QXSJWSMHSA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000340319363 456386607 /nfs/dbraw/zinc/38/66/07/456386607.db2.gz UMCSQLCMIDPFIE-QXSJWSMHSA-N 2 2 330.394 3.113 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1C ZINC000282130771 456419710 /nfs/dbraw/zinc/41/97/10/456419710.db2.gz KCAVXULMKYVMAS-CVEARBPZSA-N 2 2 332.517 3.353 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1C ZINC000282130771 456419717 /nfs/dbraw/zinc/41/97/17/456419717.db2.gz KCAVXULMKYVMAS-CVEARBPZSA-N 2 2 332.517 3.353 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456259 456471392 /nfs/dbraw/zinc/47/13/92/456471392.db2.gz PUCOXPVIFMIUAK-IJEWVQPXSA-N 2 2 328.435 3.287 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456259 456471397 /nfs/dbraw/zinc/47/13/97/456471397.db2.gz PUCOXPVIFMIUAK-IJEWVQPXSA-N 2 2 328.435 3.287 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000348092140 456472478 /nfs/dbraw/zinc/47/24/78/456472478.db2.gz NEGTZZQBBXKRHO-UHFFFAOYSA-N 2 2 326.440 3.316 20 0 EGADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)CC1CCCCC1 ZINC000353087387 456481550 /nfs/dbraw/zinc/48/15/50/456481550.db2.gz KJVOGYKEDPUKFT-VOBGVNJCSA-N 2 2 349.563 3.266 20 0 EGADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)CC1CCCCC1 ZINC000353087387 456481559 /nfs/dbraw/zinc/48/15/59/456481559.db2.gz KJVOGYKEDPUKFT-VOBGVNJCSA-N 2 2 349.563 3.266 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508446 456499118 /nfs/dbraw/zinc/49/91/18/456499118.db2.gz ZASATFCOPFQKFX-DJJJIMSYSA-N 2 2 349.400 3.499 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508446 456499128 /nfs/dbraw/zinc/49/91/28/456499128.db2.gz ZASATFCOPFQKFX-DJJJIMSYSA-N 2 2 349.400 3.499 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC[C@H]2CCC[NH+]2C)cn1 ZINC000348166493 456513196 /nfs/dbraw/zinc/51/31/96/456513196.db2.gz BZKJNKDLLNAVCZ-RTBURBONSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC[C@H]2CCC[NH+]2C)cn1 ZINC000348166493 456513204 /nfs/dbraw/zinc/51/32/04/456513204.db2.gz BZKJNKDLLNAVCZ-RTBURBONSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[NH+](C)CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000348166493 456513210 /nfs/dbraw/zinc/51/32/10/456513210.db2.gz BZKJNKDLLNAVCZ-RTBURBONSA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@@H](c2cccc(F)c2)[NH+](C)CC[C@H]2CCC[N@H+]2C)cn1 ZINC000348166493 456513215 /nfs/dbraw/zinc/51/32/15/456513215.db2.gz BZKJNKDLLNAVCZ-RTBURBONSA-N 2 2 330.451 3.065 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccncc1F ZINC000340536853 456517879 /nfs/dbraw/zinc/51/78/79/456517879.db2.gz SZHWBTXHHDSBAQ-HUUCEWRRSA-N 2 2 328.435 3.492 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000282478710 456526868 /nfs/dbraw/zinc/52/68/68/456526868.db2.gz LKHXWDJXASBMDR-LJQANCHMSA-N 2 2 349.482 3.120 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000282478710 456526872 /nfs/dbraw/zinc/52/68/72/456526872.db2.gz LKHXWDJXASBMDR-LJQANCHMSA-N 2 2 349.482 3.120 20 0 EGADLP Cc1c[nH+]c(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000353155575 456528579 /nfs/dbraw/zinc/52/85/79/456528579.db2.gz RBNIIJYLXGLVST-LJQANCHMSA-N 2 2 326.488 3.120 20 0 EGADLP Cc1c[nH+]c(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000353155575 456528585 /nfs/dbraw/zinc/52/85/85/456528585.db2.gz RBNIIJYLXGLVST-LJQANCHMSA-N 2 2 326.488 3.120 20 0 EGADLP Cc1cnc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000353155575 456528590 /nfs/dbraw/zinc/52/85/90/456528590.db2.gz RBNIIJYLXGLVST-LJQANCHMSA-N 2 2 326.488 3.120 20 0 EGADLP Cc1cnc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000353155575 456528594 /nfs/dbraw/zinc/52/85/94/456528594.db2.gz RBNIIJYLXGLVST-LJQANCHMSA-N 2 2 326.488 3.120 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340576200 456541583 /nfs/dbraw/zinc/54/15/83/456541583.db2.gz IELHQAGCOVDGQH-UHFFFAOYSA-N 2 2 343.390 3.369 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)s1 ZINC000348223550 456546125 /nfs/dbraw/zinc/54/61/25/456546125.db2.gz UBMHLDTVRXTSSE-OAHLLOKOSA-N 2 2 331.485 3.106 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)s1 ZINC000348223550 456546131 /nfs/dbraw/zinc/54/61/31/456546131.db2.gz UBMHLDTVRXTSSE-OAHLLOKOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337796405 456551457 /nfs/dbraw/zinc/55/14/57/456551457.db2.gz GHEMOVXTRXKHAA-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000337796405 456551462 /nfs/dbraw/zinc/55/14/62/456551462.db2.gz GHEMOVXTRXKHAA-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000291236789 456574134 /nfs/dbraw/zinc/57/41/34/456574134.db2.gz QGYRHDYGZBEPGS-UHFFFAOYSA-N 2 2 348.441 3.420 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCCCCC1 ZINC000310019768 456577625 /nfs/dbraw/zinc/57/76/25/456577625.db2.gz QQXBBRBRGWZYPQ-INIZCTEOSA-N 2 2 327.513 3.145 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000299143157 456618511 /nfs/dbraw/zinc/61/85/11/456618511.db2.gz AMNPMDQDGCEQQW-KSSFIOAISA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000299143157 456618517 /nfs/dbraw/zinc/61/85/17/456618517.db2.gz AMNPMDQDGCEQQW-KSSFIOAISA-N 2 2 346.421 3.035 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000348330455 456627183 /nfs/dbraw/zinc/62/71/83/456627183.db2.gz NPIOHCDVIXKOMA-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000348358360 456646081 /nfs/dbraw/zinc/64/60/81/456646081.db2.gz QVGLPHNWLHDGFW-QGZVFWFLSA-N 2 2 329.419 3.400 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000348358360 456646088 /nfs/dbraw/zinc/64/60/88/456646088.db2.gz QVGLPHNWLHDGFW-QGZVFWFLSA-N 2 2 329.419 3.400 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000340716714 456646320 /nfs/dbraw/zinc/64/63/20/456646320.db2.gz WKLSDGPTZGJNJY-UHFFFAOYSA-N 2 2 330.435 3.312 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017256 456654156 /nfs/dbraw/zinc/65/41/56/456654156.db2.gz CTWGNHJMSRZLMO-LPHOPBHVSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017256 456654160 /nfs/dbraw/zinc/65/41/60/456654160.db2.gz CTWGNHJMSRZLMO-LPHOPBHVSA-N 2 2 343.446 3.162 20 0 EGADLP COC1(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCOCC1 ZINC000277027883 456658234 /nfs/dbraw/zinc/65/82/34/456658234.db2.gz NQYCCFCEUZETTM-FQEVSTJZSA-N 2 2 346.515 3.245 20 0 EGADLP OC[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000348395830 456663890 /nfs/dbraw/zinc/66/38/90/456663890.db2.gz JZWSEEHRVQSKMS-OAHLLOKOSA-N 2 2 345.874 3.070 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2cccc(Cl)c2F)CC1 ZINC000343512389 456672552 /nfs/dbraw/zinc/67/25/52/456672552.db2.gz UOKUDNWMQWWTEN-OAHLLOKOSA-N 2 2 328.859 3.365 20 0 EGADLP C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338164441 456677624 /nfs/dbraw/zinc/67/76/24/456677624.db2.gz HSJGEEGZXXCHJG-UHFFFAOYSA-N 2 2 327.428 3.192 20 0 EGADLP CN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338170463 456680042 /nfs/dbraw/zinc/68/00/42/456680042.db2.gz HSCQFDUOWYNTIU-UHFFFAOYSA-N 2 2 339.439 3.288 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277117049 456685831 /nfs/dbraw/zinc/68/58/31/456685831.db2.gz HNXMOYMGOFHGTA-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277117049 456685837 /nfs/dbraw/zinc/68/58/37/456685837.db2.gz HNXMOYMGOFHGTA-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114530 456686271 /nfs/dbraw/zinc/68/62/71/456686271.db2.gz HIVBRVVGCZPZQE-CJNGLKHVSA-N 2 2 330.394 3.155 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114530 456686278 /nfs/dbraw/zinc/68/62/78/456686278.db2.gz HIVBRVVGCZPZQE-CJNGLKHVSA-N 2 2 330.394 3.155 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277117040 456686730 /nfs/dbraw/zinc/68/67/30/456686730.db2.gz HNXMOYMGOFHGTA-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277117040 456686737 /nfs/dbraw/zinc/68/67/37/456686737.db2.gz HNXMOYMGOFHGTA-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000338256691 456734891 /nfs/dbraw/zinc/73/48/91/456734891.db2.gz ZDAFNPDXLJJBFS-KRWDZBQOSA-N 2 2 331.504 3.011 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000338256691 456734898 /nfs/dbraw/zinc/73/48/98/456734898.db2.gz ZDAFNPDXLJJBFS-KRWDZBQOSA-N 2 2 331.504 3.011 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000343628941 456755814 /nfs/dbraw/zinc/75/58/14/456755814.db2.gz ZXNXTSAKJCQWIS-INIZCTEOSA-N 2 2 339.439 3.478 20 0 EGADLP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000343628941 456755820 /nfs/dbraw/zinc/75/58/20/456755820.db2.gz ZXNXTSAKJCQWIS-INIZCTEOSA-N 2 2 339.439 3.478 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579902 456780107 /nfs/dbraw/zinc/78/01/07/456780107.db2.gz XWUBCXDKLPGYPW-QZTJIDSGSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579902 456780113 /nfs/dbraw/zinc/78/01/13/456780113.db2.gz XWUBCXDKLPGYPW-QZTJIDSGSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353579902 456780119 /nfs/dbraw/zinc/78/01/19/456780119.db2.gz XWUBCXDKLPGYPW-QZTJIDSGSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353579902 456780130 /nfs/dbraw/zinc/78/01/30/456780130.db2.gz XWUBCXDKLPGYPW-QZTJIDSGSA-N 2 2 349.519 3.213 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329132 456780653 /nfs/dbraw/zinc/78/06/53/456780653.db2.gz VLSDUUODHUVGDU-IHPCNDPISA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329132 456780657 /nfs/dbraw/zinc/78/06/57/456780657.db2.gz VLSDUUODHUVGDU-IHPCNDPISA-N 2 2 345.531 3.449 20 0 EGADLP Cc1ccc([C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000301225111 456825733 /nfs/dbraw/zinc/82/57/33/456825733.db2.gz DCZFRYNAGNUNJI-SFHVURJKSA-N 2 2 339.487 3.490 20 0 EGADLP C[C@@H]1[NH2+]CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)[C@H]1C ZINC000277445691 456827728 /nfs/dbraw/zinc/82/77/28/456827728.db2.gz FSMRBTOREQWTOG-STQMWFEESA-N 2 2 345.830 3.350 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c[nH+]1 ZINC000353662902 456840098 /nfs/dbraw/zinc/84/00/98/456840098.db2.gz ZTYCZNWKDWSJAV-UHFFFAOYSA-N 2 2 333.382 3.171 20 0 EGADLP Cc1ccc(CCC[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c[nH+]1 ZINC000353662902 456840102 /nfs/dbraw/zinc/84/01/02/456840102.db2.gz ZTYCZNWKDWSJAV-UHFFFAOYSA-N 2 2 333.382 3.171 20 0 EGADLP CC(C)C[C@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000353664587 456841934 /nfs/dbraw/zinc/84/19/34/456841934.db2.gz YFTIVSZPMQTMHJ-LJQANCHMSA-N 2 2 326.488 3.357 20 0 EGADLP CCc1ccc([C@H](CNCc2[nH+]cc(C)n2C)[NH+](CC)CC)cc1 ZINC000353667830 456843000 /nfs/dbraw/zinc/84/30/00/456843000.db2.gz VWKAKDOARSFKCR-IBGZPJMESA-N 2 2 328.504 3.464 20 0 EGADLP CC(C)=CCC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000348784714 456855906 /nfs/dbraw/zinc/85/59/06/456855906.db2.gz OVIPMQOCBKVHFF-UMQXSMKFSA-N 2 2 349.563 3.432 20 0 EGADLP CC(C)=CCC[C@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000348784714 456855914 /nfs/dbraw/zinc/85/59/14/456855914.db2.gz OVIPMQOCBKVHFF-UMQXSMKFSA-N 2 2 349.563 3.432 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341513097 456871861 /nfs/dbraw/zinc/87/18/61/456871861.db2.gz UFLPFDFLDQAKRX-KDURUIRLSA-N 3 2 344.547 3.004 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000348826673 456873235 /nfs/dbraw/zinc/87/32/35/456873235.db2.gz IHFPOSJTYWVKOG-GDBMZVCRSA-N 2 2 346.862 3.072 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(C)C)nc3C)CC2)c1 ZINC000338962441 456879212 /nfs/dbraw/zinc/87/92/12/456879212.db2.gz HLRAWWBAIMAUEU-UHFFFAOYSA-N 2 2 340.471 3.239 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341683787 456898734 /nfs/dbraw/zinc/89/87/34/456898734.db2.gz NAEKYMZAMXDOKS-YOEHRIQHSA-N 2 2 338.879 3.254 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1OC(C)C ZINC000349184356 456906478 /nfs/dbraw/zinc/90/64/78/456906478.db2.gz HWPOEGQVPUNOMT-INIZCTEOSA-N 2 2 329.444 3.205 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1OC(C)C ZINC000349184356 456906485 /nfs/dbraw/zinc/90/64/85/456906485.db2.gz HWPOEGQVPUNOMT-INIZCTEOSA-N 2 2 329.444 3.205 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000339055385 456918769 /nfs/dbraw/zinc/91/87/69/456918769.db2.gz GFSHETXUEZRXRD-CQSZACIVSA-N 2 2 331.382 3.038 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349333835 456945874 /nfs/dbraw/zinc/94/58/74/456945874.db2.gz RSTXXVQOQMFCNY-CYBMUJFWSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CCN1C1CC[NH+](C)CC1 ZINC000349333835 456945878 /nfs/dbraw/zinc/94/58/78/456945878.db2.gz RSTXXVQOQMFCNY-CYBMUJFWSA-N 2 2 327.925 3.002 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)[nH]1 ZINC000353914005 456963240 /nfs/dbraw/zinc/96/32/40/456963240.db2.gz JVEMOOMSDPRVLJ-UHFFFAOYSA-N 2 2 338.480 3.456 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1OC(F)(F)F ZINC000349416120 456965787 /nfs/dbraw/zinc/96/57/87/456965787.db2.gz JIASFYGIZNLYQV-UHFFFAOYSA-N 2 2 331.313 3.443 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1OC(F)(F)F ZINC000349416120 456965793 /nfs/dbraw/zinc/96/57/93/456965793.db2.gz JIASFYGIZNLYQV-UHFFFAOYSA-N 2 2 331.313 3.443 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCc1ccc(C)[nH+]c1)O[C@H](C)C2 ZINC000353918880 456965917 /nfs/dbraw/zinc/96/59/17/456965917.db2.gz UXTUFRAWMSLHBU-OAHLLOKOSA-N 2 2 326.440 3.444 20 0 EGADLP CCC(CC)[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)N1CCOCC1 ZINC000353932564 456970587 /nfs/dbraw/zinc/97/05/87/456970587.db2.gz MWGVQSCVXCEJMW-HXUWFJFHSA-N 2 2 333.520 3.049 20 0 EGADLP CC1=C(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177814 456977961 /nfs/dbraw/zinc/97/79/61/456977961.db2.gz WWLIIEAMNPEAGD-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP CC1=C(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177814 456977966 /nfs/dbraw/zinc/97/79/66/456977966.db2.gz WWLIIEAMNPEAGD-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330087973 456982747 /nfs/dbraw/zinc/98/27/47/456982747.db2.gz UHNZFPZMHDKFMZ-NVXWUHKLSA-N 2 2 330.476 3.118 20 0 EGADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330087973 456982752 /nfs/dbraw/zinc/98/27/52/456982752.db2.gz UHNZFPZMHDKFMZ-NVXWUHKLSA-N 2 2 330.476 3.118 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c[nH+]1 ZINC000339223759 457001390 /nfs/dbraw/zinc/00/13/90/457001390.db2.gz UQCKUAOLEPMLKA-GASCZTMLSA-N 2 2 340.471 3.126 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c[nH+]1 ZINC000339223759 457001398 /nfs/dbraw/zinc/00/13/98/457001398.db2.gz UQCKUAOLEPMLKA-GASCZTMLSA-N 2 2 340.471 3.126 20 0 EGADLP c1nnc([C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CCCCC2)[nH]1 ZINC000330269330 457016971 /nfs/dbraw/zinc/01/69/71/457016971.db2.gz RWMRUHKYHMRERB-SFHVURJKSA-N 2 2 331.508 3.423 20 0 EGADLP CCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000354026324 457019508 /nfs/dbraw/zinc/01/95/08/457019508.db2.gz RGKMFXXDYNPSPD-UHFFFAOYSA-N 3 2 347.547 3.470 20 0 EGADLP CCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000354026324 457019515 /nfs/dbraw/zinc/01/95/15/457019515.db2.gz RGKMFXXDYNPSPD-UHFFFAOYSA-N 3 2 347.547 3.470 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178681 457022407 /nfs/dbraw/zinc/02/24/07/457022407.db2.gz SEBIHUFMNVZVLW-HZPDHXFCSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178681 457022412 /nfs/dbraw/zinc/02/24/12/457022412.db2.gz SEBIHUFMNVZVLW-HZPDHXFCSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178681 457022416 /nfs/dbraw/zinc/02/24/16/457022416.db2.gz SEBIHUFMNVZVLW-HZPDHXFCSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178681 457022421 /nfs/dbraw/zinc/02/24/21/457022421.db2.gz SEBIHUFMNVZVLW-HZPDHXFCSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180307 457022944 /nfs/dbraw/zinc/02/29/44/457022944.db2.gz PWQTWSFISDEZLD-DNVCBOLYSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180307 457022950 /nfs/dbraw/zinc/02/29/50/457022950.db2.gz PWQTWSFISDEZLD-DNVCBOLYSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180307 457022956 /nfs/dbraw/zinc/02/29/56/457022956.db2.gz PWQTWSFISDEZLD-DNVCBOLYSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180307 457022962 /nfs/dbraw/zinc/02/29/62/457022962.db2.gz PWQTWSFISDEZLD-DNVCBOLYSA-N 2 2 349.544 3.037 20 0 EGADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000359080532 457050856 /nfs/dbraw/zinc/05/08/56/457050856.db2.gz QUWDPNJKIVUGAM-CTNGQTDRSA-N 3 2 342.531 3.176 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000354085789 457052942 /nfs/dbraw/zinc/05/29/42/457052942.db2.gz KTAZLLOYUPZHFK-GOSISDBHSA-N 2 2 348.535 3.065 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000354085789 457052945 /nfs/dbraw/zinc/05/29/45/457052945.db2.gz KTAZLLOYUPZHFK-GOSISDBHSA-N 2 2 348.535 3.065 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccsc1 ZINC000346599216 457069631 /nfs/dbraw/zinc/06/96/31/457069631.db2.gz ZMJDVPVOPQDBPL-HNNXBMFYSA-N 2 2 331.489 3.243 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354121531 457077946 /nfs/dbraw/zinc/07/79/46/457077946.db2.gz STPJBZQIMJVKTC-NVXWUHKLSA-N 2 2 335.517 3.302 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354121531 457077951 /nfs/dbraw/zinc/07/79/51/457077951.db2.gz STPJBZQIMJVKTC-NVXWUHKLSA-N 2 2 335.517 3.302 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1OC ZINC000342051814 457081191 /nfs/dbraw/zinc/08/11/91/457081191.db2.gz ATSRLZXPLUBJCN-LJQANCHMSA-N 2 2 340.467 3.376 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1OC ZINC000342051814 457081194 /nfs/dbraw/zinc/08/11/94/457081194.db2.gz ATSRLZXPLUBJCN-LJQANCHMSA-N 2 2 340.467 3.376 20 0 EGADLP Cc1ccn2c(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000349871183 457088475 /nfs/dbraw/zinc/08/84/75/457088475.db2.gz DLGJTIVRZBNNSR-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccn2c(CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000349871183 457088480 /nfs/dbraw/zinc/08/84/80/457088480.db2.gz DLGJTIVRZBNNSR-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OCC ZINC000339432144 457115185 /nfs/dbraw/zinc/11/51/85/457115185.db2.gz DDAZMNOATACVGN-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OCC ZINC000339432144 457115188 /nfs/dbraw/zinc/11/51/88/457115188.db2.gz DDAZMNOATACVGN-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OCC ZINC000339432144 457115193 /nfs/dbraw/zinc/11/51/93/457115193.db2.gz DDAZMNOATACVGN-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OCC ZINC000339432144 457115198 /nfs/dbraw/zinc/11/51/98/457115198.db2.gz DDAZMNOATACVGN-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359702599 457119372 /nfs/dbraw/zinc/11/93/72/457119372.db2.gz ZZVRLAXMBZNJOM-CABCVRRESA-N 2 2 328.909 3.259 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000342129083 457124986 /nfs/dbraw/zinc/12/49/86/457124986.db2.gz NCLKZYRYBHMLPO-VZJVUDMVSA-N 2 2 339.270 3.200 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000342129083 457124989 /nfs/dbraw/zinc/12/49/89/457124989.db2.gz NCLKZYRYBHMLPO-VZJVUDMVSA-N 2 2 339.270 3.200 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209597 457133501 /nfs/dbraw/zinc/13/35/01/457133501.db2.gz QMMVTHSVELRBDR-SXLOBPIMSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209597 457133508 /nfs/dbraw/zinc/13/35/08/457133508.db2.gz QMMVTHSVELRBDR-SXLOBPIMSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209597 457133517 /nfs/dbraw/zinc/13/35/17/457133517.db2.gz QMMVTHSVELRBDR-SXLOBPIMSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000354209597 457133523 /nfs/dbraw/zinc/13/35/23/457133523.db2.gz QMMVTHSVELRBDR-SXLOBPIMSA-N 2 2 345.531 3.449 20 0 EGADLP CCN1CCN(c2c(C)c(C)[nH+]c3ccccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000359990085 457189352 /nfs/dbraw/zinc/18/93/52/457189352.db2.gz BRUXDRNGLNWZDL-GOSISDBHSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@@H+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C[C@@H]1c1ncc[nH]1 ZINC000359990085 457189359 /nfs/dbraw/zinc/18/93/59/457189359.db2.gz BRUXDRNGLNWZDL-GOSISDBHSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@H+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)C[C@@H]1c1ncc[nH]1 ZINC000359990085 457189365 /nfs/dbraw/zinc/18/93/65/457189365.db2.gz BRUXDRNGLNWZDL-GOSISDBHSA-N 2 2 335.455 3.458 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363078013 457215782 /nfs/dbraw/zinc/21/57/82/457215782.db2.gz FNPLSIMMPIPVNK-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000360052817 457227033 /nfs/dbraw/zinc/22/70/33/457227033.db2.gz CKHSECBRQKMVII-UKRRQHHQSA-N 2 2 348.516 3.374 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000347096732 457227699 /nfs/dbraw/zinc/22/76/99/457227699.db2.gz IDEFPWOBBPEQCM-UHFFFAOYSA-N 2 2 328.435 3.180 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)c1OC ZINC000342313256 457230747 /nfs/dbraw/zinc/23/07/47/457230747.db2.gz ZBGZTNHJPUEUGC-ZDUSSCGKSA-N 2 2 349.500 3.381 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347127323 457244218 /nfs/dbraw/zinc/24/42/18/457244218.db2.gz VTNHXVYBDKFUHX-RBBKRZOGSA-N 2 2 348.446 3.292 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347127323 457244223 /nfs/dbraw/zinc/24/42/23/457244223.db2.gz VTNHXVYBDKFUHX-RBBKRZOGSA-N 2 2 348.446 3.292 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[NH+]3CCC(C[NH+](C)C)CC3)nc(=O)c2c1C ZINC000354505623 457261006 /nfs/dbraw/zinc/26/10/06/457261006.db2.gz UGWMSUOWBOHLIY-LBPRGKRZSA-N 2 2 348.516 3.348 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000360495465 457316768 /nfs/dbraw/zinc/31/67/68/457316768.db2.gz LKLDQHBYCVXZBY-FQEVSTJZSA-N 2 2 345.450 3.457 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360564386 457319343 /nfs/dbraw/zinc/31/93/43/457319343.db2.gz QQQFBWSGGVDHJF-PXAZEXFGSA-N 2 2 332.835 3.136 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360564386 457319347 /nfs/dbraw/zinc/31/93/47/457319347.db2.gz QQQFBWSGGVDHJF-PXAZEXFGSA-N 2 2 332.835 3.136 20 0 EGADLP CCc1nc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(C)[nH+]1 ZINC000342480314 457327616 /nfs/dbraw/zinc/32/76/16/457327616.db2.gz NKFYGFGQBIGIQV-IRXDYDNUSA-N 2 2 346.519 3.063 20 0 EGADLP OC[C@H]1C=C[C@H]([N@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330969 457356690 /nfs/dbraw/zinc/35/66/90/457356690.db2.gz HWBZFLZMJNKBKV-ROUUACIJSA-N 2 2 334.529 3.363 20 0 EGADLP OC[C@H]1C=C[C@H]([N@@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330969 457356696 /nfs/dbraw/zinc/35/66/96/457356696.db2.gz HWBZFLZMJNKBKV-ROUUACIJSA-N 2 2 334.529 3.363 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000352496663 457414668 /nfs/dbraw/zinc/41/46/68/457414668.db2.gz YCQACIVMJDXWIT-SQGPQFPESA-N 2 2 339.483 3.274 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000352496663 457414673 /nfs/dbraw/zinc/41/46/73/457414673.db2.gz YCQACIVMJDXWIT-SQGPQFPESA-N 2 2 339.483 3.274 20 0 EGADLP CCc1ccc([C@H](CC)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360896748 457418708 /nfs/dbraw/zinc/41/87/08/457418708.db2.gz IHKYXGWLEPMDMM-PMACEKPBSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](CC)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360896748 457418712 /nfs/dbraw/zinc/41/87/12/457418712.db2.gz IHKYXGWLEPMDMM-PMACEKPBSA-N 2 2 345.531 3.232 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000352535007 457446263 /nfs/dbraw/zinc/44/62/63/457446263.db2.gz LDIDZKKOFXIZIE-LJQANCHMSA-N 2 2 344.890 3.316 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000352535007 457446266 /nfs/dbraw/zinc/44/62/66/457446266.db2.gz LDIDZKKOFXIZIE-LJQANCHMSA-N 2 2 344.890 3.316 20 0 EGADLP Fc1cc(F)cc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000360943922 457451251 /nfs/dbraw/zinc/45/12/51/457451251.db2.gz WZVJWMPSYYAEHB-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000360945104 457453210 /nfs/dbraw/zinc/45/32/10/457453210.db2.gz CYBDYVHJWFEOIW-QGZVFWFLSA-N 3 2 342.487 3.100 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000342786775 457528695 /nfs/dbraw/zinc/52/86/95/457528695.db2.gz UBYWKWIMIHNOPP-LPHOPBHVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000342786775 457528703 /nfs/dbraw/zinc/52/87/03/457528703.db2.gz UBYWKWIMIHNOPP-LPHOPBHVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc[nH+]1 ZINC000361035337 457530069 /nfs/dbraw/zinc/53/00/69/457530069.db2.gz ZHCWFHRYXQFMKI-UHFFFAOYSA-N 2 2 338.499 3.354 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361043304 457537180 /nfs/dbraw/zinc/53/71/80/457537180.db2.gz DMUYPUXWRAGMPT-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000404434192 457544719 /nfs/dbraw/zinc/54/47/19/457544719.db2.gz QHJHOFINORSSHB-SWLSCSKDSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000404434192 457544725 /nfs/dbraw/zinc/54/47/25/457544725.db2.gz QHJHOFINORSSHB-SWLSCSKDSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361062526 457556096 /nfs/dbraw/zinc/55/60/96/457556096.db2.gz MILHNXAHQXMXET-KRWDZBQOSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1-n1cccn1 ZINC000352747106 457577688 /nfs/dbraw/zinc/57/76/88/457577688.db2.gz CVKFPPWWGLDVSQ-CQSZACIVSA-N 2 2 341.484 3.241 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c1 ZINC000352749287 457580753 /nfs/dbraw/zinc/58/07/53/457580753.db2.gz MAMGGADUZLWBAA-KBPBESRZSA-N 2 2 341.293 3.420 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181602 457633239 /nfs/dbraw/zinc/63/32/39/457633239.db2.gz ORRLJFZMURLECY-CABCVRRESA-N 2 2 340.462 3.444 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181602 457633241 /nfs/dbraw/zinc/63/32/41/457633241.db2.gz ORRLJFZMURLECY-CABCVRRESA-N 2 2 340.462 3.444 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181602 457633248 /nfs/dbraw/zinc/63/32/48/457633248.db2.gz ORRLJFZMURLECY-CABCVRRESA-N 2 2 340.462 3.444 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181602 457633253 /nfs/dbraw/zinc/63/32/53/457633253.db2.gz ORRLJFZMURLECY-CABCVRRESA-N 2 2 340.462 3.444 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000357771366 457683386 /nfs/dbraw/zinc/68/33/86/457683386.db2.gz KYJWJTPCFTZRAL-DLBZAZTESA-N 2 2 340.471 3.173 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000357771366 457683388 /nfs/dbraw/zinc/68/33/88/457683388.db2.gz KYJWJTPCFTZRAL-DLBZAZTESA-N 2 2 340.471 3.173 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)F ZINC000370632488 457687025 /nfs/dbraw/zinc/68/70/25/457687025.db2.gz BDQSWZLLFPLMKD-YCPHGPKFSA-N 2 2 340.414 3.192 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000357796924 457693429 /nfs/dbraw/zinc/69/34/29/457693429.db2.gz FQOLEARYPHORJS-QGZVFWFLSA-N 2 2 340.471 3.033 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000370664850 457694321 /nfs/dbraw/zinc/69/43/21/457694321.db2.gz KZBGVYVEKVBRIE-ULQDDVLXSA-N 2 2 347.507 3.012 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccn1 ZINC000357872647 457719482 /nfs/dbraw/zinc/71/94/82/457719482.db2.gz PLZPFNQPXRLSQP-MAUKXSAKSA-N 2 2 342.512 3.199 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccn1 ZINC000357872647 457719483 /nfs/dbraw/zinc/71/94/83/457719483.db2.gz PLZPFNQPXRLSQP-MAUKXSAKSA-N 2 2 342.512 3.199 20 0 EGADLP Cc1ccccc1OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358022688 457742583 /nfs/dbraw/zinc/74/25/83/457742583.db2.gz XFEUONRGCYHZKU-UHFFFAOYSA-N 2 2 325.456 3.023 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)nnn1-c1ccccc1 ZINC000358027054 457744215 /nfs/dbraw/zinc/74/42/15/457744215.db2.gz VDXMZOKBOCDUQW-OAHLLOKOSA-N 2 2 341.503 3.489 20 0 EGADLP CCCc1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000426345837 457809185 /nfs/dbraw/zinc/80/91/85/457809185.db2.gz FIHQDLVBGKZWQE-UHFFFAOYSA-N 2 2 328.460 3.085 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444089817 457850850 /nfs/dbraw/zinc/85/08/50/457850850.db2.gz YGLSPLXQTJSCTB-SFHVURJKSA-N 2 2 332.451 3.028 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000444089817 457850858 /nfs/dbraw/zinc/85/08/58/457850858.db2.gz YGLSPLXQTJSCTB-SFHVURJKSA-N 2 2 332.451 3.028 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444173016 457861827 /nfs/dbraw/zinc/86/18/27/457861827.db2.gz YNAUOTCTPWWLPL-DLBZAZTESA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444173016 457861834 /nfs/dbraw/zinc/86/18/34/457861834.db2.gz YNAUOTCTPWWLPL-DLBZAZTESA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000444173016 457861842 /nfs/dbraw/zinc/86/18/42/457861842.db2.gz YNAUOTCTPWWLPL-DLBZAZTESA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000444173016 457861845 /nfs/dbraw/zinc/86/18/45/457861845.db2.gz YNAUOTCTPWWLPL-DLBZAZTESA-N 2 2 347.503 3.137 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000358246776 457884578 /nfs/dbraw/zinc/88/45/78/457884578.db2.gz LAKUMXHQLNJZDX-UKMLZYKCSA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000358246776 457884581 /nfs/dbraw/zinc/88/45/81/457884581.db2.gz LAKUMXHQLNJZDX-UKMLZYKCSA-N 2 2 330.394 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250049 457887625 /nfs/dbraw/zinc/88/76/25/457887625.db2.gz KVZSDWGTIOJTSE-YWZLYKJASA-N 2 2 344.430 3.335 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250049 457887629 /nfs/dbraw/zinc/88/76/29/457887629.db2.gz KVZSDWGTIOJTSE-YWZLYKJASA-N 2 2 344.430 3.335 20 0 EGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367696185 457972955 /nfs/dbraw/zinc/97/29/55/457972955.db2.gz FMAULUQFZFTFDJ-XVLXNVKGSA-N 2 2 335.536 3.019 20 0 EGADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367696185 457972960 /nfs/dbraw/zinc/97/29/60/457972960.db2.gz FMAULUQFZFTFDJ-XVLXNVKGSA-N 2 2 335.536 3.019 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1OCc1ccccc1 ZINC000427879663 458046850 /nfs/dbraw/zinc/04/68/50/458046850.db2.gz DCXUHYVVDQBJKQ-KZNAEPCWSA-N 2 2 325.456 3.171 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(Cl)c3Cl)C2)CC1 ZINC000368896085 458063554 /nfs/dbraw/zinc/06/35/54/458063554.db2.gz LORSLZFHLCLCSZ-ZDUSSCGKSA-N 2 2 348.343 3.267 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(Cl)c3Cl)C2)CC1 ZINC000368896085 458063563 /nfs/dbraw/zinc/06/35/63/458063563.db2.gz LORSLZFHLCLCSZ-ZDUSSCGKSA-N 2 2 348.343 3.267 20 0 EGADLP C[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H](C)[NH+]1C ZINC000358696404 458156148 /nfs/dbraw/zinc/15/61/48/458156148.db2.gz RGUOWPOWYAJSRA-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435614364 458172248 /nfs/dbraw/zinc/17/22/48/458172248.db2.gz MKMOXIKMGDBWKK-HNNXBMFYSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435614364 458172253 /nfs/dbraw/zinc/17/22/53/458172253.db2.gz MKMOXIKMGDBWKK-HNNXBMFYSA-N 2 2 343.393 3.108 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617918 458174859 /nfs/dbraw/zinc/17/48/59/458174859.db2.gz REAQDFMTNOXLNW-OXJNMPFZSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617918 458174866 /nfs/dbraw/zinc/17/48/66/458174866.db2.gz REAQDFMTNOXLNW-OXJNMPFZSA-N 2 2 339.483 3.091 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435621844 458175207 /nfs/dbraw/zinc/17/52/07/458175207.db2.gz AQVNFCAQCFIAMP-YOEHRIQHSA-N 2 2 337.533 3.025 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435621844 458175211 /nfs/dbraw/zinc/17/52/11/458175211.db2.gz AQVNFCAQCFIAMP-YOEHRIQHSA-N 2 2 337.533 3.025 20 0 EGADLP CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335815 458177356 /nfs/dbraw/zinc/17/73/56/458177356.db2.gz UBUUQWZEEIOVPO-OALUTQOASA-N 2 2 349.563 3.268 20 0 EGADLP CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335815 458177362 /nfs/dbraw/zinc/17/73/62/458177362.db2.gz UBUUQWZEEIOVPO-OALUTQOASA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065977 458181422 /nfs/dbraw/zinc/18/14/22/458181422.db2.gz UVPXFTXQPBQDPU-DUVNUKRYSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065977 458181428 /nfs/dbraw/zinc/18/14/28/458181428.db2.gz UVPXFTXQPBQDPU-DUVNUKRYSA-N 2 2 344.377 3.099 20 0 EGADLP CC(C)CC(CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376066426 458183527 /nfs/dbraw/zinc/18/35/27/458183527.db2.gz JURVFACRPWHEID-YQQQUEKLSA-N 2 2 337.552 3.120 20 0 EGADLP CC(C)CC(CC(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376066426 458183531 /nfs/dbraw/zinc/18/35/31/458183531.db2.gz JURVFACRPWHEID-YQQQUEKLSA-N 2 2 337.552 3.120 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1cccc(C)c1)C[C@H]1CC[NH2+]C1 ZINC000435738066 458193035 /nfs/dbraw/zinc/19/30/35/458193035.db2.gz OIXUEWOOTRGSIL-KRWDZBQOSA-N 2 2 345.512 3.250 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1cccc(C)c1)C[C@H]1CC[NH2+]C1 ZINC000435738066 458193039 /nfs/dbraw/zinc/19/30/39/458193039.db2.gz OIXUEWOOTRGSIL-KRWDZBQOSA-N 2 2 345.512 3.250 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000435869921 458216524 /nfs/dbraw/zinc/21/65/24/458216524.db2.gz DDKKLAHAFKBZCM-CQSZACIVSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000435869921 458216527 /nfs/dbraw/zinc/21/65/27/458216527.db2.gz DDKKLAHAFKBZCM-CQSZACIVSA-N 2 2 330.259 3.006 20 0 EGADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000362511034 458232664 /nfs/dbraw/zinc/23/26/64/458232664.db2.gz MNSJXJRUGPAZQO-CYBMUJFWSA-N 2 2 340.349 3.125 20 0 EGADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000362511034 458232673 /nfs/dbraw/zinc/23/26/73/458232673.db2.gz MNSJXJRUGPAZQO-CYBMUJFWSA-N 2 2 340.349 3.125 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459089736 458263892 /nfs/dbraw/zinc/26/38/92/458263892.db2.gz YXPQBGMZBNKSBG-HKUYNNGSSA-N 2 2 346.519 3.398 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000429524761 458340396 /nfs/dbraw/zinc/34/03/96/458340396.db2.gz ARKAAQCIQVNYPJ-IBGZPJMESA-N 2 2 345.531 3.230 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000429524761 458340403 /nfs/dbraw/zinc/34/04/03/458340403.db2.gz ARKAAQCIQVNYPJ-IBGZPJMESA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548379 458342276 /nfs/dbraw/zinc/34/22/76/458342276.db2.gz MQJPCDZBRCRLLS-PMACEKPBSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548379 458342278 /nfs/dbraw/zinc/34/22/78/458342278.db2.gz MQJPCDZBRCRLLS-PMACEKPBSA-N 2 2 345.531 3.306 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000429552409 458343970 /nfs/dbraw/zinc/34/39/70/458343970.db2.gz JYHICCZGJJBLBJ-HNNXBMFYSA-N 2 2 334.851 3.306 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000429552409 458343974 /nfs/dbraw/zinc/34/39/74/458343974.db2.gz JYHICCZGJJBLBJ-HNNXBMFYSA-N 2 2 334.851 3.306 20 0 EGADLP COCC[N@H+](Cc1cncs1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000447838645 458352493 /nfs/dbraw/zinc/35/24/93/458352493.db2.gz CLRUUXOGCPLAHT-UHFFFAOYSA-N 2 2 342.468 3.286 20 0 EGADLP COCC[N@@H+](Cc1cncs1)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000447838645 458352497 /nfs/dbraw/zinc/35/24/97/458352497.db2.gz CLRUUXOGCPLAHT-UHFFFAOYSA-N 2 2 342.468 3.286 20 0 EGADLP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000459389184 458355744 /nfs/dbraw/zinc/35/57/44/458355744.db2.gz MOXICVAFVXOKTP-HXUWFJFHSA-N 2 2 327.516 3.040 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)CC1 ZINC000459391847 458356913 /nfs/dbraw/zinc/35/69/13/458356913.db2.gz RWPVUGRTBXHXGF-UHFFFAOYSA-N 3 2 335.923 3.031 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000459424851 458367997 /nfs/dbraw/zinc/36/79/97/458367997.db2.gz JWKHQTDRGRLCDN-ZDUSSCGKSA-N 2 2 341.293 3.365 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(O)c2Br)C1 ZINC000459424851 458367999 /nfs/dbraw/zinc/36/79/99/458367999.db2.gz JWKHQTDRGRLCDN-ZDUSSCGKSA-N 2 2 341.293 3.365 20 0 EGADLP c1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)n(-c2ccccc2)n1 ZINC000447934783 458368097 /nfs/dbraw/zinc/36/80/97/458368097.db2.gz AZSMOXOQGAOGBE-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP Cc1nnc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)s1 ZINC000459491088 458389826 /nfs/dbraw/zinc/38/98/26/458389826.db2.gz ZDNKKZHTAYXVAJ-CYBMUJFWSA-N 2 2 339.468 3.278 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373074808 458392379 /nfs/dbraw/zinc/39/23/79/458392379.db2.gz PZMJOCWMPRMNHE-QGZVFWFLSA-N 2 2 334.508 3.028 20 0 EGADLP c1cn(CCCC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c[nH+]1 ZINC000459568434 458414703 /nfs/dbraw/zinc/41/47/03/458414703.db2.gz XDRZBESLFMGBEW-UHFFFAOYSA-N 2 2 325.460 3.243 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)CCC[NH2+]1 ZINC000423430685 458430985 /nfs/dbraw/zinc/43/09/85/458430985.db2.gz PXLHXVQHZBZCGZ-ICSRJNTNSA-N 2 2 332.488 3.382 20 0 EGADLP C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423433066 458432631 /nfs/dbraw/zinc/43/26/31/458432631.db2.gz OZUYHPYHNBENDJ-KXBFYZLASA-N 2 2 340.471 3.347 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CCC[NH2+]1 ZINC000423439038 458433982 /nfs/dbraw/zinc/43/39/82/458433982.db2.gz VCKDCKLVLZXHMK-IUODEOHRSA-N 2 2 332.366 3.004 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000373225127 458435900 /nfs/dbraw/zinc/43/59/00/458435900.db2.gz CJOCPEBTMWQQGB-INIZCTEOSA-N 2 2 341.455 3.445 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000373225127 458435904 /nfs/dbraw/zinc/43/59/04/458435904.db2.gz CJOCPEBTMWQQGB-INIZCTEOSA-N 2 2 341.455 3.445 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000423497052 458443266 /nfs/dbraw/zinc/44/32/66/458443266.db2.gz FXCBOVJNKMXIIQ-BEFAXECRSA-N 2 2 335.455 3.180 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000423510486 458447730 /nfs/dbraw/zinc/44/77/30/458447730.db2.gz SIRRZCSPRVHQEV-OALUTQOASA-N 2 2 338.430 3.490 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000423515400 458449090 /nfs/dbraw/zinc/44/90/90/458449090.db2.gz NEIGNSUTBZJGCR-DOTOQJQBSA-N 2 2 349.931 3.179 20 0 EGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423519904 458450541 /nfs/dbraw/zinc/45/05/41/458450541.db2.gz JRWNSPFEGYIUDV-CRAIPNDOSA-N 2 2 326.440 3.001 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423554448 458456860 /nfs/dbraw/zinc/45/68/60/458456860.db2.gz HHLLFSVWAIGAHZ-OAQYLSRUSA-N 3 2 335.495 3.257 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000430542122 458458287 /nfs/dbraw/zinc/45/82/87/458458287.db2.gz CEHCQDJXXCEYNF-UXHICEINSA-N 2 2 349.494 3.136 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000430559586 458460956 /nfs/dbraw/zinc/46/09/56/458460956.db2.gz DOMZZRZMJOQPJI-OXJNMPFZSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000430559586 458460957 /nfs/dbraw/zinc/46/09/57/458460957.db2.gz DOMZZRZMJOQPJI-OXJNMPFZSA-N 2 2 341.499 3.322 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430564846 458462732 /nfs/dbraw/zinc/46/27/32/458462732.db2.gz CTLDPAVJFYZQAB-YDHLFZDLSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430564846 458462735 /nfs/dbraw/zinc/46/27/35/458462735.db2.gz CTLDPAVJFYZQAB-YDHLFZDLSA-N 2 2 332.423 3.304 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000430575948 458465764 /nfs/dbraw/zinc/46/57/64/458465764.db2.gz LWHXCOCPBMRTGA-BZNIZROVSA-N 2 2 346.302 3.134 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602601 458470244 /nfs/dbraw/zinc/47/02/44/458470244.db2.gz WRQGZGGVYKXQFK-QRFRQXIXSA-N 2 2 337.467 3.426 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602601 458470247 /nfs/dbraw/zinc/47/02/47/458470247.db2.gz WRQGZGGVYKXQFK-QRFRQXIXSA-N 2 2 337.467 3.426 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607251 458470668 /nfs/dbraw/zinc/47/06/68/458470668.db2.gz XZGCOXFYDLXYDT-KGLIPLIRSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607251 458470670 /nfs/dbraw/zinc/47/06/70/458470670.db2.gz XZGCOXFYDLXYDT-KGLIPLIRSA-N 2 2 332.423 3.177 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430608285 458470979 /nfs/dbraw/zinc/47/09/79/458470979.db2.gz FAUGUTWHHQQQIH-CQSZACIVSA-N 2 2 331.485 3.380 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)cs2)cc1 ZINC000430608285 458470982 /nfs/dbraw/zinc/47/09/82/458470982.db2.gz FAUGUTWHHQQQIH-CQSZACIVSA-N 2 2 331.485 3.380 20 0 EGADLP c1c(C[N@@H+]2CCC[NH2+]CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000430612280 458471625 /nfs/dbraw/zinc/47/16/25/458471625.db2.gz RJTUVHGDRAJSEA-UHFFFAOYSA-N 2 2 332.451 3.335 20 0 EGADLP c1c(C[N@H+]2CCC[NH2+]CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000430612280 458471629 /nfs/dbraw/zinc/47/16/29/458471629.db2.gz RJTUVHGDRAJSEA-UHFFFAOYSA-N 2 2 332.451 3.335 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621682 458472252 /nfs/dbraw/zinc/47/22/52/458472252.db2.gz DWDHRSDGWPIJBX-DYESRHJHSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621682 458472259 /nfs/dbraw/zinc/47/22/59/458472259.db2.gz DWDHRSDGWPIJBX-DYESRHJHSA-N 2 2 345.531 3.294 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616810 458472282 /nfs/dbraw/zinc/47/22/82/458472282.db2.gz HZIRCWHZFIVESH-QFBILLFUSA-N 2 2 329.488 3.014 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616810 458472289 /nfs/dbraw/zinc/47/22/89/458472289.db2.gz HZIRCWHZFIVESH-QFBILLFUSA-N 2 2 329.488 3.014 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669675 458477516 /nfs/dbraw/zinc/47/75/16/458477516.db2.gz UGMKYSSIHLDDBX-WFASDCNBSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669675 458477519 /nfs/dbraw/zinc/47/75/19/458477519.db2.gz UGMKYSSIHLDDBX-WFASDCNBSA-N 2 2 334.851 3.134 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2[nH+]c1C1CC1 ZINC000423809727 458488098 /nfs/dbraw/zinc/48/80/98/458488098.db2.gz LJAMZOHAIJGGTK-KMFMINBZSA-N 2 2 338.455 3.310 20 0 EGADLP C[C@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@H]1CCC[NH2+]C1 ZINC000423813352 458489367 /nfs/dbraw/zinc/48/93/67/458489367.db2.gz QJSAZANNCLECJN-HIFRSBDPSA-N 2 2 340.471 3.415 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437767065 458490000 /nfs/dbraw/zinc/49/00/00/458490000.db2.gz WEZOBPIDJPQYBP-JCKWVBRZSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437767065 458490003 /nfs/dbraw/zinc/49/00/03/458490003.db2.gz WEZOBPIDJPQYBP-JCKWVBRZSA-N 2 2 340.870 3.488 20 0 EGADLP CCC[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CC[NH2+]C1 ZINC000430918072 458505286 /nfs/dbraw/zinc/50/52/86/458505286.db2.gz LQQOTEHDNMURTP-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CC[NH2+]C1 ZINC000430918072 458505291 /nfs/dbraw/zinc/50/52/91/458505291.db2.gz LQQOTEHDNMURTP-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955112 458510447 /nfs/dbraw/zinc/51/04/47/458510447.db2.gz HQYJSAYJAQHXRN-DYESRHJHSA-N 2 2 345.531 3.165 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955112 458510450 /nfs/dbraw/zinc/51/04/50/458510450.db2.gz HQYJSAYJAQHXRN-DYESRHJHSA-N 2 2 345.531 3.165 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430963271 458510862 /nfs/dbraw/zinc/51/08/62/458510862.db2.gz TYDNGUZLMPQEAS-APWZRJJASA-N 2 2 329.488 3.021 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430963271 458510868 /nfs/dbraw/zinc/51/08/68/458510868.db2.gz TYDNGUZLMPQEAS-APWZRJJASA-N 2 2 329.488 3.021 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(C)(C)C3CCCCC3)C2)CC1 ZINC000373508246 458513260 /nfs/dbraw/zinc/51/32/60/458513260.db2.gz KGDKDJZXWAHGSR-SFHVURJKSA-N 2 2 349.563 3.268 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(C)(C)C3CCCCC3)C2)CC1 ZINC000373508246 458513263 /nfs/dbraw/zinc/51/32/63/458513263.db2.gz KGDKDJZXWAHGSR-SFHVURJKSA-N 2 2 349.563 3.268 20 0 EGADLP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000438124241 458537650 /nfs/dbraw/zinc/53/76/50/458537650.db2.gz GDWFILYEJNVXSF-HNNXBMFYSA-N 2 2 330.501 3.446 20 0 EGADLP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000438124241 458537654 /nfs/dbraw/zinc/53/76/54/458537654.db2.gz GDWFILYEJNVXSF-HNNXBMFYSA-N 2 2 330.501 3.446 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000377890766 458566546 /nfs/dbraw/zinc/56/65/46/458566546.db2.gz YQOYHNWLLOBNSN-OAHLLOKOSA-N 2 2 328.435 3.149 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000377890766 458566548 /nfs/dbraw/zinc/56/65/48/458566548.db2.gz YQOYHNWLLOBNSN-OAHLLOKOSA-N 2 2 328.435 3.149 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000431431873 458572101 /nfs/dbraw/zinc/57/21/01/458572101.db2.gz PPPBTPVZLCKKFN-KRWDZBQOSA-N 2 2 338.430 3.076 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000438553509 458596992 /nfs/dbraw/zinc/59/69/92/458596992.db2.gz PBEQSXPVBHRGAE-FQEVSTJZSA-N 2 2 337.467 3.004 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000438553509 458596997 /nfs/dbraw/zinc/59/69/97/458596997.db2.gz PBEQSXPVBHRGAE-FQEVSTJZSA-N 2 2 337.467 3.004 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493917491 458601235 /nfs/dbraw/zinc/60/12/35/458601235.db2.gz RLNYXKOHJPPKMO-YHUYVZNPSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493917491 458601237 /nfs/dbraw/zinc/60/12/37/458601237.db2.gz RLNYXKOHJPPKMO-YHUYVZNPSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000424338144 458620211 /nfs/dbraw/zinc/62/02/11/458620211.db2.gz TWGKBMHOBAUODB-YUSALJHKSA-N 2 2 330.259 3.180 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000424340633 458620240 /nfs/dbraw/zinc/62/02/40/458620240.db2.gz YMBFQCPKKQXAIY-KURKYZTESA-N 2 2 349.494 3.279 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369015 458650281 /nfs/dbraw/zinc/65/02/81/458650281.db2.gz HRHANHKYZIPILV-KBXCAEBGSA-N 2 2 338.455 3.303 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369015 458650287 /nfs/dbraw/zinc/65/02/87/458650287.db2.gz HRHANHKYZIPILV-KBXCAEBGSA-N 2 2 338.455 3.303 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790813 458655980 /nfs/dbraw/zinc/65/59/80/458655980.db2.gz JCERIYJSJNEHNI-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790813 458655986 /nfs/dbraw/zinc/65/59/86/458655986.db2.gz JCERIYJSJNEHNI-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790813 458655992 /nfs/dbraw/zinc/65/59/92/458655992.db2.gz JCERIYJSJNEHNI-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790813 458655999 /nfs/dbraw/zinc/65/59/99/458655999.db2.gz JCERIYJSJNEHNI-FUHWJXTLSA-N 2 2 330.472 3.168 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456381538 458656053 /nfs/dbraw/zinc/65/60/53/458656053.db2.gz MTOOHXMLLQALLJ-XIRDDKMYSA-N 2 2 326.444 3.088 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000494410828 458672323 /nfs/dbraw/zinc/67/23/23/458672323.db2.gz HLPRNRYIILJYGZ-IUODEOHRSA-N 2 2 334.261 3.354 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OCC(C)C ZINC000494424649 458673685 /nfs/dbraw/zinc/67/36/85/458673685.db2.gz IUWIVKRVVHJRHS-KRWDZBQOSA-N 2 2 343.471 3.421 20 0 EGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502917706 458681288 /nfs/dbraw/zinc/68/12/88/458681288.db2.gz DOFADGXAOKUDDC-QGZVFWFLSA-N 2 2 328.460 3.403 20 0 EGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502917706 458681290 /nfs/dbraw/zinc/68/12/90/458681290.db2.gz DOFADGXAOKUDDC-QGZVFWFLSA-N 2 2 328.460 3.403 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177861 458709816 /nfs/dbraw/zinc/70/98/16/458709816.db2.gz IZANUHQSVVNNKY-QGZVFWFLSA-N 2 2 330.863 3.208 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)CCCO1 ZINC000432357635 458723576 /nfs/dbraw/zinc/72/35/76/458723576.db2.gz IZCOJXJNRFEQAB-ZDUSSCGKSA-N 2 2 337.464 3.026 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)CCCO1 ZINC000432357635 458723583 /nfs/dbraw/zinc/72/35/83/458723583.db2.gz IZCOJXJNRFEQAB-ZDUSSCGKSA-N 2 2 337.464 3.026 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530225074 458723742 /nfs/dbraw/zinc/72/37/42/458723742.db2.gz WNGMAUUQSOZHFD-PBHICJAKSA-N 2 2 330.476 3.152 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530225989 458723896 /nfs/dbraw/zinc/72/38/96/458723896.db2.gz YILOWBOQLBSWCA-SWLSCSKDSA-N 2 2 328.485 3.449 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000471846647 458742066 /nfs/dbraw/zinc/74/20/66/458742066.db2.gz PWFHDQMJZJWQFI-SJORKVTESA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000471846647 458742071 /nfs/dbraw/zinc/74/20/71/458742071.db2.gz PWFHDQMJZJWQFI-SJORKVTESA-N 2 2 348.441 3.450 20 0 EGADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000530578563 458794572 /nfs/dbraw/zinc/79/45/72/458794572.db2.gz CNAWSQIQSGWFOF-SFHVURJKSA-N 2 2 347.422 3.338 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082339 458795065 /nfs/dbraw/zinc/79/50/65/458795065.db2.gz BSKLTSNNLVUSEM-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082339 458795071 /nfs/dbraw/zinc/79/50/71/458795071.db2.gz BSKLTSNNLVUSEM-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082339 458795073 /nfs/dbraw/zinc/79/50/73/458795073.db2.gz BSKLTSNNLVUSEM-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@H]2C1 ZINC000495082339 458795077 /nfs/dbraw/zinc/79/50/77/458795077.db2.gz BSKLTSNNLVUSEM-WMZOPIPTSA-N 2 2 330.472 3.168 20 0 EGADLP CCc1ccc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)o2)cc1 ZINC000465015695 458800606 /nfs/dbraw/zinc/80/06/06/458800606.db2.gz YOEVNDDDZIBGHS-IBGZPJMESA-N 2 2 342.483 3.445 20 0 EGADLP Fc1cccc(Cl)c1CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000472588765 458803335 /nfs/dbraw/zinc/80/33/35/458803335.db2.gz GGXHPSGWKZVQTK-OAHLLOKOSA-N 2 2 340.870 3.066 20 0 EGADLP Fc1cccc(Cl)c1CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000472588765 458803339 /nfs/dbraw/zinc/80/33/39/458803339.db2.gz GGXHPSGWKZVQTK-OAHLLOKOSA-N 2 2 340.870 3.066 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432863784 458804186 /nfs/dbraw/zinc/80/41/86/458804186.db2.gz JPFSVYCAYGEKJT-NVXWUHKLSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432863784 458804189 /nfs/dbraw/zinc/80/41/89/458804189.db2.gz JPFSVYCAYGEKJT-NVXWUHKLSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472777677 458809197 /nfs/dbraw/zinc/80/91/97/458809197.db2.gz ZYVQVQYMKCQOCU-SCWSEQNSSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472777677 458809202 /nfs/dbraw/zinc/80/92/02/458809202.db2.gz ZYVQVQYMKCQOCU-SCWSEQNSSA-N 2 2 342.458 3.359 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000495306454 458830664 /nfs/dbraw/zinc/83/06/64/458830664.db2.gz FQLAQTCZODLLFW-UHFFFAOYSA-N 2 2 344.459 3.265 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000518214232 458849689 /nfs/dbraw/zinc/84/96/89/458849689.db2.gz PXYJZFGRNIBJKF-MRXNPFEDSA-N 2 2 346.862 3.072 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000474022272 458855134 /nfs/dbraw/zinc/85/51/34/458855134.db2.gz JAQCBEVNFNALHT-PXNSSMCTSA-N 2 2 346.515 3.364 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000474022272 458855139 /nfs/dbraw/zinc/85/51/39/458855139.db2.gz JAQCBEVNFNALHT-PXNSSMCTSA-N 2 2 346.515 3.364 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccnn2-c2ccccc2C)CC1 ZINC000474152847 458865530 /nfs/dbraw/zinc/86/55/30/458865530.db2.gz LDOSUPFYFVVYJA-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnn2-c2ccccc2C)CC1 ZINC000474152847 458865536 /nfs/dbraw/zinc/86/55/36/458865536.db2.gz LDOSUPFYFVVYJA-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP CC(C)C[C@H](C[NH+]1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000495602885 458894697 /nfs/dbraw/zinc/89/46/97/458894697.db2.gz NTLVFXWRXUOGSS-QGZVFWFLSA-N 2 2 341.540 3.388 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000466891509 458930113 /nfs/dbraw/zinc/93/01/13/458930113.db2.gz RLJWBMUVNQNCDA-VLCRHTCISA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000466891509 458930124 /nfs/dbraw/zinc/93/01/24/458930124.db2.gz RLJWBMUVNQNCDA-VLCRHTCISA-N 2 2 338.495 3.009 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000466918172 458935349 /nfs/dbraw/zinc/93/53/49/458935349.db2.gz WCUFJJZVUQIAHV-QIJUGHKUSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000466918172 458935359 /nfs/dbraw/zinc/93/53/59/458935359.db2.gz WCUFJJZVUQIAHV-QIJUGHKUSA-N 2 2 338.495 3.009 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000556233527 458940405 /nfs/dbraw/zinc/94/04/05/458940405.db2.gz JEHRDZHZTFJHJJ-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000556233527 458940410 /nfs/dbraw/zinc/94/04/10/458940410.db2.gz JEHRDZHZTFJHJJ-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C3(CCO)CC[NH+](C)CC3)o2)cc1 ZINC000566473998 458944127 /nfs/dbraw/zinc/94/41/27/458944127.db2.gz CJMBSEYBUBDXRT-UHFFFAOYSA-N 2 2 328.456 3.191 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000495776385 458948835 /nfs/dbraw/zinc/94/88/35/458948835.db2.gz GWVOZKSMZIMWCP-NEPJUHHUSA-N 2 2 340.493 3.062 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000495776385 458948838 /nfs/dbraw/zinc/94/88/38/458948838.db2.gz GWVOZKSMZIMWCP-NEPJUHHUSA-N 2 2 340.493 3.062 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000475635539 458957163 /nfs/dbraw/zinc/95/71/63/458957163.db2.gz BMQKPYGQOLEMIE-ZFWWWQNUSA-N 2 2 342.405 3.385 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000475635539 458957168 /nfs/dbraw/zinc/95/71/68/458957168.db2.gz BMQKPYGQOLEMIE-ZFWWWQNUSA-N 2 2 342.405 3.385 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1OC ZINC000519559040 458963595 /nfs/dbraw/zinc/96/35/95/458963595.db2.gz KWTHSVWUBUWWNJ-CQSZACIVSA-N 2 2 329.444 3.396 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cccc2ccccc21 ZINC000519590612 458970112 /nfs/dbraw/zinc/97/01/12/458970112.db2.gz DHIVSDPODRCQGA-BKEDOTJMSA-N 2 2 325.456 3.143 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390467 458972526 /nfs/dbraw/zinc/97/25/26/458972526.db2.gz VYKLLCYPSBKFDM-RTBURBONSA-N 2 2 335.923 3.407 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390467 458972532 /nfs/dbraw/zinc/97/25/32/458972532.db2.gz VYKLLCYPSBKFDM-RTBURBONSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495864709 458983863 /nfs/dbraw/zinc/98/38/63/458983863.db2.gz IUQIHWLFPKXCFI-JKIFEVAISA-N 2 2 348.491 3.035 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000495864709 458983864 /nfs/dbraw/zinc/98/38/64/458983864.db2.gz IUQIHWLFPKXCFI-JKIFEVAISA-N 2 2 348.491 3.035 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000566941778 459024074 /nfs/dbraw/zinc/02/40/74/459024074.db2.gz UQLRVWAMXMAFDI-UZLBHIALSA-N 2 2 338.451 3.398 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767179 459033278 /nfs/dbraw/zinc/03/32/78/459033278.db2.gz QCSCPKHUEQFQEA-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767179 459033282 /nfs/dbraw/zinc/03/32/82/459033282.db2.gz QCSCPKHUEQFQEA-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442779355 459034318 /nfs/dbraw/zinc/03/43/18/459034318.db2.gz MCJVZFOVFDPXEL-SJPCQFCGSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442779355 459034325 /nfs/dbraw/zinc/03/43/25/459034325.db2.gz MCJVZFOVFDPXEL-SJPCQFCGSA-N 2 2 329.488 3.272 20 0 EGADLP CC[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000442789280 459035933 /nfs/dbraw/zinc/03/59/33/459035933.db2.gz JVZKWBXDNNCBDX-UJJTZGENSA-N 2 2 349.906 3.122 20 0 EGADLP CC[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000442789280 459035938 /nfs/dbraw/zinc/03/59/38/459035938.db2.gz JVZKWBXDNNCBDX-UJJTZGENSA-N 2 2 349.906 3.122 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154864 459038301 /nfs/dbraw/zinc/03/83/01/459038301.db2.gz KPWSHVJBLUBPSM-MJGOQNOKSA-N 2 2 337.552 3.268 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154864 459038306 /nfs/dbraw/zinc/03/83/06/459038306.db2.gz KPWSHVJBLUBPSM-MJGOQNOKSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154864 459038313 /nfs/dbraw/zinc/03/83/13/459038313.db2.gz KPWSHVJBLUBPSM-MJGOQNOKSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154864 459038318 /nfs/dbraw/zinc/03/83/18/459038318.db2.gz KPWSHVJBLUBPSM-MJGOQNOKSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000532188391 459043502 /nfs/dbraw/zinc/04/35/02/459043502.db2.gz VXOIHJFKCHWKKX-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1sccc1Br ZINC000532208303 459046980 /nfs/dbraw/zinc/04/69/80/459046980.db2.gz GJERVOHXDPUVCF-NSHDSACASA-N 2 2 347.322 3.008 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)c3sccc3C[NH+](C)C)ccc2n1C ZINC000532288322 459061315 /nfs/dbraw/zinc/06/13/15/459061315.db2.gz HPCUFDFBCRKZIP-UHFFFAOYSA-N 2 2 328.441 3.257 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3CCCCC[NH2+]3)ccc2n1C1CC1 ZINC000520584216 459075167 /nfs/dbraw/zinc/07/51/67/459075167.db2.gz GEDCBYZICFWSIX-INIZCTEOSA-N 2 2 340.471 3.082 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cc1F ZINC000577705263 459078250 /nfs/dbraw/zinc/07/82/50/459078250.db2.gz YCKVZXHBXNIAMI-UHFFFAOYSA-N 2 2 336.414 3.493 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000520610348 459078297 /nfs/dbraw/zinc/07/82/97/459078297.db2.gz VTSFPIWGIUQPAR-INIZCTEOSA-N 2 2 330.476 3.126 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)n1C ZINC000567450863 459108294 /nfs/dbraw/zinc/10/82/94/459108294.db2.gz IDARUMCFEQOWGA-UHFFFAOYSA-N 2 2 348.494 3.430 20 0 EGADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Cl)o2)c2cccs2)CC1 ZINC000521332910 459140920 /nfs/dbraw/zinc/14/09/20/459140920.db2.gz SWBLHTFBHYSRHC-AWEZNQCLSA-N 2 2 339.892 3.073 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]C[C@H]3C[N@H+](CC(C)C)CCO3)cc2c(C)c1 ZINC000479536189 459146387 /nfs/dbraw/zinc/14/63/87/459146387.db2.gz KJLDLKAJDBLGKK-SFHVURJKSA-N 2 2 329.488 3.231 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]C[C@H]3C[N@@H+](CC(C)C)CCO3)cc2c(C)c1 ZINC000479536189 459146391 /nfs/dbraw/zinc/14/63/91/459146391.db2.gz KJLDLKAJDBLGKK-SFHVURJKSA-N 2 2 329.488 3.231 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000578126644 459149829 /nfs/dbraw/zinc/14/98/29/459149829.db2.gz MTYASSCCLCJFJM-OXJNMPFZSA-N 2 2 337.467 3.189 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323865 459149861 /nfs/dbraw/zinc/14/98/61/459149861.db2.gz JFQRCTZBKIOZBB-CVEARBPZSA-N 2 2 339.524 3.048 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323865 459149864 /nfs/dbraw/zinc/14/98/64/459149864.db2.gz JFQRCTZBKIOZBB-CVEARBPZSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323865 459149867 /nfs/dbraw/zinc/14/98/67/459149867.db2.gz JFQRCTZBKIOZBB-CVEARBPZSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323865 459149869 /nfs/dbraw/zinc/14/98/69/459149869.db2.gz JFQRCTZBKIOZBB-CVEARBPZSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1CC(C)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000533304139 459218005 /nfs/dbraw/zinc/21/80/05/459218005.db2.gz RQJUNHNUHYLKLV-WOJBJXKFSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1CC(C)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000533304139 459218013 /nfs/dbraw/zinc/21/80/13/459218013.db2.gz RQJUNHNUHYLKLV-WOJBJXKFSA-N 2 2 340.552 3.116 20 0 EGADLP COC(=O)Nc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000496534070 459230696 /nfs/dbraw/zinc/23/06/96/459230696.db2.gz MZMRXELKCBQPSA-UHFFFAOYSA-N 2 2 342.424 3.402 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000496572672 459243692 /nfs/dbraw/zinc/24/36/92/459243692.db2.gz QYUKEEMUGFFZPB-DLBZAZTESA-N 2 2 345.487 3.381 20 0 EGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000568373774 459277856 /nfs/dbraw/zinc/27/78/56/459277856.db2.gz GNJWYYSORNWRQC-XJKSGUPXSA-N 2 2 344.286 3.107 20 0 EGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)Cc1ccccc1 ZINC000534064370 459288413 /nfs/dbraw/zinc/28/84/13/459288413.db2.gz DQOWMIMZZPZJSA-NMLBUPMWSA-N 2 2 328.500 3.097 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000482248672 459298559 /nfs/dbraw/zinc/29/85/59/459298559.db2.gz NZOANEMVTOEQLH-AWEZNQCLSA-N 2 2 338.879 3.337 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000482248672 459298562 /nfs/dbraw/zinc/29/85/62/459298562.db2.gz NZOANEMVTOEQLH-AWEZNQCLSA-N 2 2 338.879 3.337 20 0 EGADLP COCCC[C@@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482716027 459322780 /nfs/dbraw/zinc/32/27/80/459322780.db2.gz SWFXCLRXBRBWOU-QGZVFWFLSA-N 2 2 326.525 3.205 20 0 EGADLP COCCC[C@@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482716027 459322783 /nfs/dbraw/zinc/32/27/83/459322783.db2.gz SWFXCLRXBRBWOU-QGZVFWFLSA-N 2 2 326.525 3.205 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524594214 459373739 /nfs/dbraw/zinc/37/37/39/459373739.db2.gz HRJPKSIWVHRDOJ-AZUAARDMSA-N 2 2 343.515 3.156 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000524594214 459373742 /nfs/dbraw/zinc/37/37/42/459373742.db2.gz HRJPKSIWVHRDOJ-AZUAARDMSA-N 2 2 343.515 3.156 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc2n[nH]cc2c1 ZINC000560581557 459376545 /nfs/dbraw/zinc/37/65/45/459376545.db2.gz SNUWCBBBHVVKBU-OAHLLOKOSA-N 2 2 335.455 3.273 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000595666849 459388881 /nfs/dbraw/zinc/38/88/81/459388881.db2.gz DOVJNXRLQOHYPQ-KRWDZBQOSA-N 2 2 329.444 3.025 20 0 EGADLP CC(C)[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1Cl ZINC000582660298 459404416 /nfs/dbraw/zinc/40/44/16/459404416.db2.gz FNFCROPZUCLEEU-QGZVFWFLSA-N 2 2 347.894 3.412 20 0 EGADLP Cc1[nH+]cc(CNc2cc[nH+]c(OCC(F)(F)C(F)F)c2)n1C ZINC000569139716 459404459 /nfs/dbraw/zinc/40/44/59/459404459.db2.gz SESLXNMWUNTBDR-UHFFFAOYSA-N 2 2 332.301 3.015 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(I)cc1 ZINC000591578033 459406513 /nfs/dbraw/zinc/40/65/13/459406513.db2.gz NYMKHTXWLKGNMW-SMDDNHRTSA-N 2 2 344.240 3.084 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c2ccccn21 ZINC000569464659 459456019 /nfs/dbraw/zinc/45/60/19/459456019.db2.gz TUBGMTYBSFLOFX-UHFFFAOYSA-N 2 2 344.503 3.488 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867338 459458198 /nfs/dbraw/zinc/45/81/98/459458198.db2.gz OXIPOCRLUVZLAC-HNNXBMFYSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867338 459458203 /nfs/dbraw/zinc/45/82/03/459458203.db2.gz OXIPOCRLUVZLAC-HNNXBMFYSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867339 459458718 /nfs/dbraw/zinc/45/87/18/459458718.db2.gz OXIPOCRLUVZLAC-OAHLLOKOSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867339 459458723 /nfs/dbraw/zinc/45/87/23/459458723.db2.gz OXIPOCRLUVZLAC-OAHLLOKOSA-N 2 2 332.835 3.121 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000595882848 459472544 /nfs/dbraw/zinc/47/25/44/459472544.db2.gz QXLBOXQAHZPZFW-HXUWFJFHSA-N 2 2 343.471 3.199 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC000595882847 459473195 /nfs/dbraw/zinc/47/31/95/459473195.db2.gz QXLBOXQAHZPZFW-FQEVSTJZSA-N 2 2 343.471 3.199 20 0 EGADLP CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000595892128 459477950 /nfs/dbraw/zinc/47/79/50/459477950.db2.gz KYCJJDILNDSHLD-GJZGRUSLSA-N 2 2 330.394 3.371 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000595895619 459479965 /nfs/dbraw/zinc/47/99/65/459479965.db2.gz QPYCQFFXRDOIQM-IAGOWNOFSA-N 2 2 336.863 3.018 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000583316359 459518627 /nfs/dbraw/zinc/51/86/27/459518627.db2.gz RRBDQXYOBSMKGO-ULQDDVLXSA-N 2 2 333.524 3.356 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(OCC3CCCCC3)CC2)n1C ZINC000569922254 459532239 /nfs/dbraw/zinc/53/22/39/459532239.db2.gz NWWQEHHXEFETHS-UHFFFAOYSA-N 2 2 334.508 3.047 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498828588 459606685 /nfs/dbraw/zinc/60/66/85/459606685.db2.gz MAOXIUHXOLQLGE-LJQANCHMSA-N 2 2 344.499 3.417 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498828588 459606692 /nfs/dbraw/zinc/60/66/92/459606692.db2.gz MAOXIUHXOLQLGE-LJQANCHMSA-N 2 2 344.499 3.417 20 0 EGADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000498841814 459606923 /nfs/dbraw/zinc/60/69/23/459606923.db2.gz XMVRNFYASAHHFF-SYYJFZTOSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000498841814 459606926 /nfs/dbraw/zinc/60/69/26/459606926.db2.gz XMVRNFYASAHHFF-SYYJFZTOSA-N 2 2 349.563 3.125 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(C(F)F)cc3)[nH+]c2)C1 ZINC000527232237 459611613 /nfs/dbraw/zinc/61/16/13/459611613.db2.gz BKZHTOHBRVTGLO-KRWDZBQOSA-N 2 2 346.425 3.194 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)[N@H+](Cc2ccccc2)C1 ZINC000527523717 459654665 /nfs/dbraw/zinc/65/46/65/459654665.db2.gz SAKNDWSNQXVUSP-OALUTQOASA-N 2 2 346.421 3.349 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573358089 459664504 /nfs/dbraw/zinc/66/45/04/459664504.db2.gz DLNGQNIZATYTFJ-YOEHRIQHSA-N 2 2 340.870 3.367 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573358089 459664510 /nfs/dbraw/zinc/66/45/10/459664510.db2.gz DLNGQNIZATYTFJ-YOEHRIQHSA-N 2 2 340.870 3.367 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563111906 459716555 /nfs/dbraw/zinc/71/65/55/459716555.db2.gz KXLPVNCINRKKCE-GUYCJALGSA-N 2 2 334.826 3.052 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563111906 459716561 /nfs/dbraw/zinc/71/65/61/459716561.db2.gz KXLPVNCINRKKCE-GUYCJALGSA-N 2 2 334.826 3.052 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764985 459729244 /nfs/dbraw/zinc/72/92/44/459729244.db2.gz WRAYGMKMUIUWAQ-UZLBHIALSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764985 459729247 /nfs/dbraw/zinc/72/92/47/459729247.db2.gz WRAYGMKMUIUWAQ-UZLBHIALSA-N 2 2 334.467 3.498 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000574430578 459818110 /nfs/dbraw/zinc/81/81/10/459818110.db2.gz RYMSORYBNXIPKY-ZBFHGGJFSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000574430578 459818112 /nfs/dbraw/zinc/81/81/12/459818112.db2.gz RYMSORYBNXIPKY-ZBFHGGJFSA-N 2 2 346.862 3.354 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1F ZINC000597053820 459825551 /nfs/dbraw/zinc/82/55/51/459825551.db2.gz UGMHPBYORRHHHW-UHFFFAOYSA-N 2 2 341.386 3.211 20 0 EGADLP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C)[nH]1 ZINC000585747810 459839668 /nfs/dbraw/zinc/83/96/68/459839668.db2.gz XUEYVKALENOOKB-UHFFFAOYSA-N 2 2 331.504 3.402 20 0 EGADLP O=C(CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1 ZINC000585810762 459854319 /nfs/dbraw/zinc/85/43/19/459854319.db2.gz DWMXZYWDQGTDFJ-HXUWFJFHSA-N 2 2 337.467 3.442 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412588 459862265 /nfs/dbraw/zinc/86/22/65/459862265.db2.gz XUCNAECXXMWGPW-HOTGVXAUSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412588 459862275 /nfs/dbraw/zinc/86/22/75/459862275.db2.gz XUCNAECXXMWGPW-HOTGVXAUSA-N 2 2 339.439 3.229 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000597235732 459887342 /nfs/dbraw/zinc/88/73/42/459887342.db2.gz JYDPXLWOPTVBRJ-UHFFFAOYSA-N 2 2 336.520 3.353 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000575139531 459935666 /nfs/dbraw/zinc/93/56/66/459935666.db2.gz KQSUPTXPVGOAPL-ARFHVFGLSA-N 2 2 347.507 3.089 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000575139531 459935667 /nfs/dbraw/zinc/93/56/67/459935667.db2.gz KQSUPTXPVGOAPL-ARFHVFGLSA-N 2 2 347.507 3.089 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3oc4ccccc4c3Cl)C2)CC1 ZINC000602463338 459951098 /nfs/dbraw/zinc/95/10/98/459951098.db2.gz FRJZHVOVTPYEEN-OAHLLOKOSA-N 2 2 347.890 3.298 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3oc4ccccc4c3Cl)C2)CC1 ZINC000602463338 459951107 /nfs/dbraw/zinc/95/11/07/459951107.db2.gz FRJZHVOVTPYEEN-OAHLLOKOSA-N 2 2 347.890 3.298 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609595516 459990263 /nfs/dbraw/zinc/99/02/63/459990263.db2.gz JOSNKFHCVLIKDR-HNNXBMFYSA-N 2 2 341.455 3.378 20 0 EGADLP CCSc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000625103189 460032997 /nfs/dbraw/zinc/03/29/97/460032997.db2.gz XXIXXTOZEISCPM-STQMWFEESA-N 2 2 341.318 3.212 20 0 EGADLP COc1cc(CCC[NH2+]CCCc2ccc(C)[nH+]c2)cc(OC)c1O ZINC000621743389 460044620 /nfs/dbraw/zinc/04/46/20/460044620.db2.gz PALQNTBROKKDIX-UHFFFAOYSA-N 2 2 344.455 3.268 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000575999912 460049812 /nfs/dbraw/zinc/04/98/12/460049812.db2.gz OPEAZKKZADKXOM-QGZVFWFLSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000575999912 460049818 /nfs/dbraw/zinc/04/98/18/460049818.db2.gz OPEAZKKZADKXOM-QGZVFWFLSA-N 2 2 334.529 3.105 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000589206610 460054754 /nfs/dbraw/zinc/05/47/54/460054754.db2.gz WGTAYKLCJFLSOE-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000589206610 460054763 /nfs/dbraw/zinc/05/47/63/460054763.db2.gz WGTAYKLCJFLSOE-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000589206610 460054770 /nfs/dbraw/zinc/05/47/70/460054770.db2.gz WGTAYKLCJFLSOE-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000589206610 460054776 /nfs/dbraw/zinc/05/47/76/460054776.db2.gz WGTAYKLCJFLSOE-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784079 460061023 /nfs/dbraw/zinc/06/10/23/460061023.db2.gz JMYPRQKROGLPCR-DNVCBOLYSA-N 2 2 342.874 3.419 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784079 460061026 /nfs/dbraw/zinc/06/10/26/460061026.db2.gz JMYPRQKROGLPCR-DNVCBOLYSA-N 2 2 342.874 3.419 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300493 460068365 /nfs/dbraw/zinc/06/83/65/460068365.db2.gz CAOOTTBYJORJHR-ZCNNSNEGSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300493 460068372 /nfs/dbraw/zinc/06/83/72/460068372.db2.gz CAOOTTBYJORJHR-ZCNNSNEGSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300493 460068375 /nfs/dbraw/zinc/06/83/75/460068375.db2.gz CAOOTTBYJORJHR-ZCNNSNEGSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300493 460068383 /nfs/dbraw/zinc/06/83/83/460068383.db2.gz CAOOTTBYJORJHR-ZCNNSNEGSA-N 2 2 344.499 3.028 20 0 EGADLP C[C@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[NH+]1CCCC1 ZINC000602767332 460114040 /nfs/dbraw/zinc/11/40/40/460114040.db2.gz IKTNVOKDJAXCRQ-OAHLLOKOSA-N 2 2 325.412 3.088 20 0 EGADLP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)Nc1c(Cl)cccc1Cl ZINC000625438895 460174444 /nfs/dbraw/zinc/17/44/44/460174444.db2.gz VKQJAOKSCUTUIJ-UHFFFAOYSA-N 2 2 339.226 3.103 20 0 EGADLP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)Nc1c(Cl)cccc1Cl ZINC000625438895 460174450 /nfs/dbraw/zinc/17/44/50/460174450.db2.gz VKQJAOKSCUTUIJ-UHFFFAOYSA-N 2 2 339.226 3.103 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)C1(F)F ZINC000625654682 460230241 /nfs/dbraw/zinc/23/02/41/460230241.db2.gz ZRWSTVPXPZAUQL-IYBDPMFKSA-N 2 2 338.442 3.242 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)C1(F)F ZINC000625654682 460230248 /nfs/dbraw/zinc/23/02/48/460230248.db2.gz ZRWSTVPXPZAUQL-IYBDPMFKSA-N 2 2 338.442 3.242 20 0 EGADLP C[C@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)C1(F)F ZINC000625654680 460230424 /nfs/dbraw/zinc/23/04/24/460230424.db2.gz ZRWSTVPXPZAUQL-HOTGVXAUSA-N 2 2 338.442 3.242 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@@H+]1C1CC1 ZINC000611438970 460365335 /nfs/dbraw/zinc/36/53/35/460365335.db2.gz BHDJEYNFKYBXCF-WMLDXEAASA-N 2 2 330.472 3.357 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@H+]1C1CC1 ZINC000611438970 460365339 /nfs/dbraw/zinc/36/53/39/460365339.db2.gz BHDJEYNFKYBXCF-WMLDXEAASA-N 2 2 330.472 3.357 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CC(F)F)CC1)CC2 ZINC000623089571 460408400 /nfs/dbraw/zinc/40/84/00/460408400.db2.gz MTNJZXTTXFJPEP-KRWDZBQOSA-N 2 2 338.442 3.119 20 0 EGADLP C[C@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000631662012 460496636 /nfs/dbraw/zinc/49/66/36/460496636.db2.gz WNMOUPDPNPXEQJ-SWLSCSKDSA-N 2 2 340.393 3.392 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccccc1Cl ZINC000607142101 460796159 /nfs/dbraw/zinc/79/61/59/460796159.db2.gz GNFGNWWRJRIGMY-HNNXBMFYSA-N 2 2 342.834 3.031 20 0 EGADLP O[C@H](C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000629557404 460807558 /nfs/dbraw/zinc/80/75/58/460807558.db2.gz LERVKWZHHQEVDQ-WOJBJXKFSA-N 2 2 344.886 3.476 20 0 EGADLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000629557806 460807700 /nfs/dbraw/zinc/80/77/00/460807700.db2.gz XXWJYFIYOVWZDY-UHFFFAOYSA-N 2 2 327.428 3.088 20 0 EGADLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000629557806 460807703 /nfs/dbraw/zinc/80/77/03/460807703.db2.gz XXWJYFIYOVWZDY-UHFFFAOYSA-N 2 2 327.428 3.088 20 0 EGADLP CC(C)c1ccsc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472536 460818027 /nfs/dbraw/zinc/81/80/27/460818027.db2.gz NTHNXLLLOXLEEH-MRXNPFEDSA-N 2 2 349.544 3.112 20 0 EGADLP CC(C)c1ccsc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472536 460818032 /nfs/dbraw/zinc/81/80/32/460818032.db2.gz NTHNXLLLOXLEEH-MRXNPFEDSA-N 2 2 349.544 3.112 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000629651590 460846727 /nfs/dbraw/zinc/84/67/27/460846727.db2.gz UDZCONQHZQQGCW-UHFFFAOYSA-N 2 2 334.467 3.379 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000629651590 460846734 /nfs/dbraw/zinc/84/67/34/460846734.db2.gz UDZCONQHZQQGCW-UHFFFAOYSA-N 2 2 334.467 3.379 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629655377 460849520 /nfs/dbraw/zinc/84/95/20/460849520.db2.gz KEUUIUQQIRCGET-GXTWGEPZSA-N 2 2 348.796 3.234 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629655377 460849525 /nfs/dbraw/zinc/84/95/25/460849525.db2.gz KEUUIUQQIRCGET-GXTWGEPZSA-N 2 2 348.796 3.234 20 0 EGADLP C[NH+](C)CCOc1cccc(-c2cncc(NCc3[nH]cc[nH+]3)c2)c1 ZINC000629701192 460874339 /nfs/dbraw/zinc/87/43/39/460874339.db2.gz RPYHRNFWJUZXQY-UHFFFAOYSA-N 2 2 337.427 3.024 20 0 EGADLP [NH3+][C@H]1CCc2nc(-c3cc(F)cc(Cn4cc[nH+]c4)c3)sc2C1 ZINC000629732413 460893478 /nfs/dbraw/zinc/89/34/78/460893478.db2.gz UPKUXBPYMVIDAG-AWEZNQCLSA-N 2 2 328.416 3.010 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624227658 460920808 /nfs/dbraw/zinc/92/08/08/460920808.db2.gz WSGVBEPBQNBBCV-NVXWUHKLSA-N 2 2 334.529 3.439 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624227658 460920814 /nfs/dbraw/zinc/92/08/14/460920814.db2.gz WSGVBEPBQNBBCV-NVXWUHKLSA-N 2 2 334.529 3.439 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788616 460924686 /nfs/dbraw/zinc/92/46/86/460924686.db2.gz UOUIWQCCNFKQBI-WBVHZDCISA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788616 460924692 /nfs/dbraw/zinc/92/46/92/460924692.db2.gz UOUIWQCCNFKQBI-WBVHZDCISA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000607946401 460944342 /nfs/dbraw/zinc/94/43/42/460944342.db2.gz CZKMSEZKFZRSPF-MAUKXSAKSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000607946401 460944344 /nfs/dbraw/zinc/94/43/44/460944344.db2.gz CZKMSEZKFZRSPF-MAUKXSAKSA-N 2 2 349.906 3.030 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000635861362 460951705 /nfs/dbraw/zinc/95/17/05/460951705.db2.gz TWWRYMRSOJEOHF-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000635861362 460951711 /nfs/dbraw/zinc/95/17/11/460951711.db2.gz TWWRYMRSOJEOHF-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624335455 460963640 /nfs/dbraw/zinc/96/36/40/460963640.db2.gz RSDNYUSBHMJWIN-OCCSQVGLSA-N 2 2 348.434 3.058 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624335455 460963652 /nfs/dbraw/zinc/96/36/52/460963652.db2.gz RSDNYUSBHMJWIN-OCCSQVGLSA-N 2 2 348.434 3.058 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000621300445 460980076 /nfs/dbraw/zinc/98/00/76/460980076.db2.gz MEWLLUOXNZGHLW-UHFFFAOYSA-N 2 2 348.874 3.413 20 0 EGADLP c1nn(-c2ccccc2)c2nc[nH+]c(NC3CC[NH+](CC4CC4)CC3)c12 ZINC000613567198 460997690 /nfs/dbraw/zinc/99/76/90/460997690.db2.gz GXTLDDDBXJPCPN-UHFFFAOYSA-N 2 2 348.454 3.102 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186668 461037254 /nfs/dbraw/zinc/03/72/54/461037254.db2.gz SIQPCDZDOTXJDE-HNNXBMFYSA-N 2 2 337.458 3.195 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186668 461037259 /nfs/dbraw/zinc/03/72/59/461037259.db2.gz SIQPCDZDOTXJDE-HNNXBMFYSA-N 2 2 337.458 3.195 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186668 461037267 /nfs/dbraw/zinc/03/72/67/461037267.db2.gz SIQPCDZDOTXJDE-HNNXBMFYSA-N 2 2 337.458 3.195 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186668 461037270 /nfs/dbraw/zinc/03/72/70/461037270.db2.gz SIQPCDZDOTXJDE-HNNXBMFYSA-N 2 2 337.458 3.195 20 0 EGADLP Cc1cn2ccc(NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000668160130 461145299 /nfs/dbraw/zinc/14/52/99/461145299.db2.gz TYAUSPCEKWSVGY-OAHLLOKOSA-N 2 2 329.448 3.029 20 0 EGADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353774 461147443 /nfs/dbraw/zinc/14/74/43/461147443.db2.gz CQRVGDLRHSOPJJ-WMLDXEAASA-N 2 2 344.459 3.085 20 0 EGADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353774 461147453 /nfs/dbraw/zinc/14/74/53/461147453.db2.gz CQRVGDLRHSOPJJ-WMLDXEAASA-N 2 2 344.459 3.085 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1CC[NH3+] ZINC000652355799 461149166 /nfs/dbraw/zinc/14/91/66/461149166.db2.gz HXWMVAUPCVJLTP-CXAGYDPISA-N 2 2 334.414 3.100 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1CC[NH3+] ZINC000652355799 461149169 /nfs/dbraw/zinc/14/91/69/461149169.db2.gz HXWMVAUPCVJLTP-CXAGYDPISA-N 2 2 334.414 3.100 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169427 /nfs/dbraw/zinc/16/94/27/461169427.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169434 /nfs/dbraw/zinc/16/94/34/461169434.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169443 /nfs/dbraw/zinc/16/94/43/461169443.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000649549160 461169452 /nfs/dbraw/zinc/16/94/52/461169452.db2.gz WCVPALCYWFDHJL-RXVVDRJESA-N 2 2 338.499 3.312 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294701 461171723 /nfs/dbraw/zinc/17/17/23/461171723.db2.gz SBAFVEOUAYOLNV-KRWDZBQOSA-N 2 2 332.492 3.329 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294701 461171733 /nfs/dbraw/zinc/17/17/33/461171733.db2.gz SBAFVEOUAYOLNV-KRWDZBQOSA-N 2 2 332.492 3.329 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1cncc(C)n1 ZINC000649568223 461181908 /nfs/dbraw/zinc/18/19/08/461181908.db2.gz SSGJGMSHDOLEJF-GOSISDBHSA-N 2 2 335.455 3.150 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCc1cncc(C)n1 ZINC000649568223 461181912 /nfs/dbraw/zinc/18/19/12/461181912.db2.gz SSGJGMSHDOLEJF-GOSISDBHSA-N 2 2 335.455 3.150 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638017068 461198216 /nfs/dbraw/zinc/19/82/16/461198216.db2.gz BXDAJKCNXNDIGZ-DOTOQJQBSA-N 2 2 327.428 3.225 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638017068 461198227 /nfs/dbraw/zinc/19/82/27/461198227.db2.gz BXDAJKCNXNDIGZ-DOTOQJQBSA-N 2 2 327.428 3.225 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298580 461234850 /nfs/dbraw/zinc/23/48/50/461234850.db2.gz DGRQAWJJDFFIJG-FQEVSTJZSA-N 2 2 346.515 3.471 20 0 EGADLP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298580 461234856 /nfs/dbraw/zinc/23/48/56/461234856.db2.gz DGRQAWJJDFFIJG-FQEVSTJZSA-N 2 2 346.515 3.471 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000638176440 461289512 /nfs/dbraw/zinc/28/95/12/461289512.db2.gz DQEWKSLSJNWPDL-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000638176440 461289518 /nfs/dbraw/zinc/28/95/18/461289518.db2.gz DQEWKSLSJNWPDL-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000638176440 461289527 /nfs/dbraw/zinc/28/95/27/461289527.db2.gz DQEWKSLSJNWPDL-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000638176440 461289533 /nfs/dbraw/zinc/28/95/33/461289533.db2.gz DQEWKSLSJNWPDL-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638301992 461354096 /nfs/dbraw/zinc/35/40/96/461354096.db2.gz VZLJADPXHPRGLR-UHFFFAOYSA-N 2 2 340.265 3.268 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)oc21 ZINC000655693567 461367432 /nfs/dbraw/zinc/36/74/32/461367432.db2.gz FDSFEAIBUFUELR-WMLDXEAASA-N 2 2 344.455 3.345 20 0 EGADLP c1sc(-c2ccccc2)nc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701277 461372183 /nfs/dbraw/zinc/37/21/83/461372183.db2.gz QWWRAZHJZSWELH-SFHVURJKSA-N 2 2 343.496 3.153 20 0 EGADLP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)noc1-c1ccccc1 ZINC000655705111 461376708 /nfs/dbraw/zinc/37/67/08/461376708.db2.gz WENDLCJPWBQGOC-LJQANCHMSA-N 2 2 341.455 3.075 20 0 EGADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000655708912 461380114 /nfs/dbraw/zinc/38/01/14/461380114.db2.gz PPEYFLAHDXWTRS-SFTDATJTSA-N 2 2 337.467 3.014 20 0 EGADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000641803758 461380191 /nfs/dbraw/zinc/38/01/91/461380191.db2.gz HCODNLRFJSIHJT-HUUCEWRRSA-N 2 2 335.448 3.077 20 0 EGADLP COc1cccc(C)c1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000638379411 461395661 /nfs/dbraw/zinc/39/56/61/461395661.db2.gz BBZOPVSWEIJJSV-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP Cc1cc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)ccc1F ZINC000655736625 461402702 /nfs/dbraw/zinc/40/27/02/461402702.db2.gz IETAUBIWBLTAOG-AZUAARDMSA-N 2 2 332.463 3.428 20 0 EGADLP CC[C@H](CSc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736382 461402911 /nfs/dbraw/zinc/40/29/11/461402911.db2.gz DZHDBYWZTCBSMN-AEFFLSMTSA-N 2 2 334.529 3.400 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000638402819 461408667 /nfs/dbraw/zinc/40/86/67/461408667.db2.gz UGILXNQFPSJFFF-UHFFFAOYSA-N 2 2 341.503 3.352 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000638402819 461408673 /nfs/dbraw/zinc/40/86/73/461408673.db2.gz UGILXNQFPSJFFF-UHFFFAOYSA-N 2 2 341.503 3.352 20 0 EGADLP CCc1cccc2cc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)oc21 ZINC000668740180 461409723 /nfs/dbraw/zinc/40/97/23/461409723.db2.gz RBUKZCGFIOCKFJ-GOSISDBHSA-N 2 2 328.456 3.026 20 0 EGADLP CCc1cccc2cc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)oc21 ZINC000668740180 461409733 /nfs/dbraw/zinc/40/97/33/461409733.db2.gz RBUKZCGFIOCKFJ-GOSISDBHSA-N 2 2 328.456 3.026 20 0 EGADLP C[C@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)Cn1cc[nH+]c1 ZINC000638437565 461428335 /nfs/dbraw/zinc/42/83/35/461428335.db2.gz NXVVEFJRMBYOOU-LLVKDONJSA-N 2 2 349.232 3.213 20 0 EGADLP Clc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655765097 461430340 /nfs/dbraw/zinc/43/03/40/461430340.db2.gz YNXNIOPYDIQTOA-ATZDWAIDSA-N 2 2 334.891 3.429 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)[NH+]2CCCC2)cc1 ZINC000638455264 461437639 /nfs/dbraw/zinc/43/76/39/461437639.db2.gz VNKDMCIXLKLDGE-SXLOBPIMSA-N 2 2 343.515 3.169 20 0 EGADLP Cc1ccc(C[N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000649903934 461441554 /nfs/dbraw/zinc/44/15/54/461441554.db2.gz BBFGZKBIENXJQU-UHFFFAOYSA-N 2 2 338.499 3.034 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000649903934 461441557 /nfs/dbraw/zinc/44/15/57/461441557.db2.gz BBFGZKBIENXJQU-UHFFFAOYSA-N 2 2 338.499 3.034 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086392 461449123 /nfs/dbraw/zinc/44/91/23/461449123.db2.gz JRKDBZGYBCMAAZ-MJGOQNOKSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086392 461449133 /nfs/dbraw/zinc/44/91/33/461449133.db2.gz JRKDBZGYBCMAAZ-MJGOQNOKSA-N 2 2 338.499 3.392 20 0 EGADLP CC1([NH3+])CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000646991847 461473639 /nfs/dbraw/zinc/47/36/39/461473639.db2.gz QDPGWCPHIZDSOQ-UHFFFAOYSA-N 2 2 345.830 3.481 20 0 EGADLP CCCCc1ccc([C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061294 461481488 /nfs/dbraw/zinc/48/14/88/461481488.db2.gz JWDNFQZZIYZASR-RBUKOAKNSA-N 2 2 333.520 3.122 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000653095082 461498478 /nfs/dbraw/zinc/49/84/78/461498478.db2.gz ZFLXCVCWZNFHLN-JKSUJKDBSA-N 2 2 339.911 3.213 20 0 EGADLP CO[C@@]1(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CCOC1 ZINC000638639104 461514069 /nfs/dbraw/zinc/51/40/69/461514069.db2.gz IPVXIEQQNKTEIU-FXAWDEMLSA-N 2 2 332.488 3.045 20 0 EGADLP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000638670614 461526528 /nfs/dbraw/zinc/52/65/28/461526528.db2.gz HFEVJBNPTOVKGO-UHFFFAOYSA-N 2 2 342.468 3.361 20 0 EGADLP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000638670614 461526533 /nfs/dbraw/zinc/52/65/33/461526533.db2.gz HFEVJBNPTOVKGO-UHFFFAOYSA-N 2 2 342.468 3.361 20 0 EGADLP FC(F)Oc1ccc(Br)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000647167683 461538191 /nfs/dbraw/zinc/53/81/91/461538191.db2.gz OJKGEGHPQXMYNG-UHFFFAOYSA-N 2 2 346.175 3.037 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631097993 461546903 /nfs/dbraw/zinc/54/69/03/461546903.db2.gz IJVOXRPGUCBAMA-CQSZACIVSA-N 2 2 340.309 3.302 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2Br)C1 ZINC000631097993 461546906 /nfs/dbraw/zinc/54/69/06/461546906.db2.gz IJVOXRPGUCBAMA-CQSZACIVSA-N 2 2 340.309 3.302 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H]1CC[NH3+] ZINC000653239967 461584513 /nfs/dbraw/zinc/58/45/13/461584513.db2.gz HXTKPJLNVUVYHK-DNVCBOLYSA-N 2 2 339.439 3.463 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638811979 461592614 /nfs/dbraw/zinc/59/26/14/461592614.db2.gz PBJHFCJDRAAFBL-HOJAQTOUSA-N 2 2 343.515 3.105 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638811979 461592624 /nfs/dbraw/zinc/59/26/24/461592624.db2.gz PBJHFCJDRAAFBL-HOJAQTOUSA-N 2 2 343.515 3.105 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000643064222 461600501 /nfs/dbraw/zinc/60/05/01/461600501.db2.gz XSEYWAURSMTRHW-RDJZCZTQSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)n1 ZINC000643064222 461600509 /nfs/dbraw/zinc/60/05/09/461600509.db2.gz XSEYWAURSMTRHW-RDJZCZTQSA-N 2 2 326.444 3.009 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]CCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849273 461615472 /nfs/dbraw/zinc/61/54/72/461615472.db2.gz RSWHSQLAAASUBZ-CTNGQTDRSA-N 3 2 327.516 3.430 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000643235690 461642039 /nfs/dbraw/zinc/64/20/39/461642039.db2.gz AGMQPFOJFUYSQR-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000643235690 461642047 /nfs/dbraw/zinc/64/20/47/461642047.db2.gz AGMQPFOJFUYSQR-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]CCc3cn4c(cccc4C)[nH+]3)c(C)n2n1 ZINC000647363761 461659531 /nfs/dbraw/zinc/65/95/31/461659531.db2.gz JJPXHCBYUYAUBF-HNNXBMFYSA-N 2 2 348.454 3.196 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000663511222 461680617 /nfs/dbraw/zinc/68/06/17/461680617.db2.gz WFZVFDOEBIWPIQ-AWEZNQCLSA-N 2 2 330.476 3.011 20 0 EGADLP CCOc1cc(C[NH2+][C@@H](C)C[NH2+]C)ccc1OCc1ccccc1 ZINC000663511919 461681163 /nfs/dbraw/zinc/68/11/63/461681163.db2.gz ZGCVRHAVYNVRMM-INIZCTEOSA-N 2 2 328.456 3.362 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000656261619 461687047 /nfs/dbraw/zinc/68/70/47/461687047.db2.gz LODRSNRUTINEFG-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000656261619 461687055 /nfs/dbraw/zinc/68/70/55/461687055.db2.gz LODRSNRUTINEFG-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP CC(C)Oc1ncccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643368147 461709633 /nfs/dbraw/zinc/70/96/33/461709633.db2.gz XGBWDSHOSZJRSB-UHFFFAOYSA-N 2 2 345.409 3.375 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)[NH+](C)C ZINC000639090523 461719974 /nfs/dbraw/zinc/71/99/74/461719974.db2.gz IDAZECGHYKXDAF-YLAKUSLOSA-N 2 2 331.504 3.023 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482421 461731270 /nfs/dbraw/zinc/73/12/70/461731270.db2.gz DNQFCNQWQCILLB-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482421 461731278 /nfs/dbraw/zinc/73/12/78/461731278.db2.gz DNQFCNQWQCILLB-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647485702 461732608 /nfs/dbraw/zinc/73/26/08/461732608.db2.gz QMWFTEOQFXXNBH-HNNXBMFYSA-N 2 2 332.879 3.016 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647485702 461732615 /nfs/dbraw/zinc/73/26/15/461732615.db2.gz QMWFTEOQFXXNBH-HNNXBMFYSA-N 2 2 332.879 3.016 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(N2CCCC2)n1 ZINC000643471337 461738817 /nfs/dbraw/zinc/73/88/17/461738817.db2.gz UZJDKPZCXRHNBC-PXNSSMCTSA-N 2 2 338.499 3.038 20 0 EGADLP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000643471920 461738910 /nfs/dbraw/zinc/73/89/10/461738910.db2.gz RWXXZLGTYDYERL-MOPGFXCFSA-N 2 2 325.456 3.452 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000653587171 461743426 /nfs/dbraw/zinc/74/34/26/461743426.db2.gz SSFTVJMXSADGPX-UHFFFAOYSA-N 2 2 340.290 3.235 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000653587171 461743432 /nfs/dbraw/zinc/74/34/32/461743432.db2.gz SSFTVJMXSADGPX-UHFFFAOYSA-N 2 2 340.290 3.235 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501646 461747395 /nfs/dbraw/zinc/74/73/95/461747395.db2.gz NCLYCIJPJNEXCO-BQJUDKOJSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501646 461747402 /nfs/dbraw/zinc/74/74/02/461747402.db2.gz NCLYCIJPJNEXCO-BQJUDKOJSA-N 3 2 327.516 3.019 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643511782 461750166 /nfs/dbraw/zinc/75/01/66/461750166.db2.gz MSIQHUUDDHXKRU-OAGGEKHMSA-N 2 2 341.293 3.242 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc2c1OCCCO2 ZINC000647553902 461764560 /nfs/dbraw/zinc/76/45/60/461764560.db2.gz MRARJRPTYHBCRW-MRXNPFEDSA-N 2 2 336.863 3.266 20 0 EGADLP CN(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000643707381 461783727 /nfs/dbraw/zinc/78/37/27/461783727.db2.gz VSYKWPIUXDYGPT-LJQANCHMSA-N 2 2 348.454 3.065 20 0 EGADLP CN(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000643707381 461783735 /nfs/dbraw/zinc/78/37/35/461783735.db2.gz VSYKWPIUXDYGPT-LJQANCHMSA-N 2 2 348.454 3.065 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000639178039 461785942 /nfs/dbraw/zinc/78/59/42/461785942.db2.gz YINPKHVPYMMIRO-GFCCVEGCSA-N 2 2 335.835 3.080 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000639178039 461785947 /nfs/dbraw/zinc/78/59/47/461785947.db2.gz YINPKHVPYMMIRO-GFCCVEGCSA-N 2 2 335.835 3.080 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769702 461795257 /nfs/dbraw/zinc/79/52/57/461795257.db2.gz CMCYTHDZPKBTPQ-DOMZBBRYSA-N 2 2 343.393 3.154 20 0 EGADLP Fc1cccc(Cl)c1CN1CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000666769865 461795945 /nfs/dbraw/zinc/79/59/45/461795945.db2.gz GITHDQRWBXPARV-OAHLLOKOSA-N 2 2 339.886 3.175 20 0 EGADLP Fc1cccc(Cl)c1C[NH+]1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000666769865 461795948 /nfs/dbraw/zinc/79/59/48/461795948.db2.gz GITHDQRWBXPARV-OAHLLOKOSA-N 2 2 339.886 3.175 20 0 EGADLP c1ccc2c(CC[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)nsc2c1 ZINC000660475870 461800447 /nfs/dbraw/zinc/80/04/47/461800447.db2.gz WFRQVLJCUCNPOC-INIZCTEOSA-N 2 2 345.512 3.026 20 0 EGADLP c1ccc2c(CC[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)nsc2c1 ZINC000660475870 461800454 /nfs/dbraw/zinc/80/04/54/461800454.db2.gz WFRQVLJCUCNPOC-INIZCTEOSA-N 2 2 345.512 3.026 20 0 EGADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000653778194 461852366 /nfs/dbraw/zinc/85/23/66/461852366.db2.gz LCTYZINGRCZJKC-GUDVDZBRSA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000653778194 461852374 /nfs/dbraw/zinc/85/23/74/461852374.db2.gz LCTYZINGRCZJKC-GUDVDZBRSA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000653778194 461852378 /nfs/dbraw/zinc/85/23/78/461852378.db2.gz LCTYZINGRCZJKC-GUDVDZBRSA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000653778194 461852386 /nfs/dbraw/zinc/85/23/86/461852386.db2.gz LCTYZINGRCZJKC-GUDVDZBRSA-N 2 2 340.515 3.336 20 0 EGADLP Cc1cc(CO)cc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000647852106 461859786 /nfs/dbraw/zinc/85/97/86/461859786.db2.gz WVIZRGPGAVOKKR-UHFFFAOYSA-N 2 2 345.874 3.248 20 0 EGADLP Cc1cc(CO)cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000647852106 461859792 /nfs/dbraw/zinc/85/97/92/461859792.db2.gz WVIZRGPGAVOKKR-UHFFFAOYSA-N 2 2 345.874 3.248 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879867 461868744 /nfs/dbraw/zinc/86/87/44/461868744.db2.gz PYGGYPWQWFYNJO-ABAIWWIYSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647879867 461868752 /nfs/dbraw/zinc/86/87/52/461868752.db2.gz PYGGYPWQWFYNJO-ABAIWWIYSA-N 2 2 342.270 3.006 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000639367970 461889299 /nfs/dbraw/zinc/88/92/99/461889299.db2.gz ABSZSIQBKBFSBU-OWCLPIDISA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000639367970 461889308 /nfs/dbraw/zinc/88/93/08/461889308.db2.gz ABSZSIQBKBFSBU-OWCLPIDISA-N 2 2 329.271 3.071 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C1CCCC1 ZINC000666969718 461893300 /nfs/dbraw/zinc/89/33/00/461893300.db2.gz LDXCQAHNSJWFNZ-GOSISDBHSA-N 2 2 332.879 3.192 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000639374632 461894782 /nfs/dbraw/zinc/89/47/82/461894782.db2.gz HWSCTBWNFLGIEI-UHFFFAOYSA-N 2 2 328.460 3.428 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000639376293 461895539 /nfs/dbraw/zinc/89/55/39/461895539.db2.gz BQNSTEPXWSAXCN-UHFFFAOYSA-N 2 2 329.488 3.485 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656708 461907126 /nfs/dbraw/zinc/90/71/26/461907126.db2.gz NVLWLCFYXTWPQD-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656708 461907131 /nfs/dbraw/zinc/90/71/31/461907131.db2.gz NVLWLCFYXTWPQD-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656708 461907137 /nfs/dbraw/zinc/90/71/37/461907137.db2.gz NVLWLCFYXTWPQD-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656708 461907142 /nfs/dbraw/zinc/90/71/42/461907142.db2.gz NVLWLCFYXTWPQD-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655366 461908634 /nfs/dbraw/zinc/90/86/34/461908634.db2.gz MUDNBFRZRSVXEU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655366 461908636 /nfs/dbraw/zinc/90/86/36/461908636.db2.gz MUDNBFRZRSVXEU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655366 461908641 /nfs/dbraw/zinc/90/86/41/461908641.db2.gz MUDNBFRZRSVXEU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000660655366 461908646 /nfs/dbraw/zinc/90/86/46/461908646.db2.gz MUDNBFRZRSVXEU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000660657626 461910654 /nfs/dbraw/zinc/91/06/54/461910654.db2.gz YUIRYXLZLZUIET-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000660657626 461910660 /nfs/dbraw/zinc/91/06/60/461910660.db2.gz YUIRYXLZLZUIET-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC(F)F ZINC000660657626 461910669 /nfs/dbraw/zinc/91/06/69/461910669.db2.gz YUIRYXLZLZUIET-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC(F)F ZINC000660657626 461910674 /nfs/dbraw/zinc/91/06/74/461910674.db2.gz YUIRYXLZLZUIET-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970139 461914359 /nfs/dbraw/zinc/91/43/59/461914359.db2.gz DYFXRPSUQVATBZ-LSDHHAIUSA-N 2 2 336.373 3.110 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970139 461914363 /nfs/dbraw/zinc/91/43/63/461914363.db2.gz DYFXRPSUQVATBZ-LSDHHAIUSA-N 2 2 336.373 3.110 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674205 461920426 /nfs/dbraw/zinc/92/04/26/461920426.db2.gz MSYCNCQDHASHFT-FQEVSTJZSA-N 2 2 343.515 3.032 20 0 EGADLP Fc1cc(Br)cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647990368 461927394 /nfs/dbraw/zinc/92/73/94/461927394.db2.gz RPULYOURHSSQLO-ABAIWWIYSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]C2)c1 ZINC000647990368 461927399 /nfs/dbraw/zinc/92/73/99/461927399.db2.gz RPULYOURHSSQLO-ABAIWWIYSA-N 2 2 327.241 3.335 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000660696802 461929059 /nfs/dbraw/zinc/92/90/59/461929059.db2.gz PRSGUPWINBZGAI-UHFFFAOYSA-N 2 2 338.923 3.345 20 0 EGADLP NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856112 461997531 /nfs/dbraw/zinc/99/75/31/461997531.db2.gz YGUUVPFGLOEKPQ-HXUWFJFHSA-N 2 2 348.450 3.044 20 0 EGADLP c1cn(CCCC2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)c[nH+]1 ZINC000639584666 462003111 /nfs/dbraw/zinc/00/31/11/462003111.db2.gz UMOWJKIYMXGKSY-SFHVURJKSA-N 2 2 341.455 3.215 20 0 EGADLP Clc1ccccc1[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)N1CCCC1 ZINC000657290536 462019448 /nfs/dbraw/zinc/01/94/48/462019448.db2.gz RCBMOTYZSKHHKF-SFHVURJKSA-N 2 2 344.890 3.409 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000657296370 462025315 /nfs/dbraw/zinc/02/53/15/462025315.db2.gz STLMOKXQKDWOLC-UHFFFAOYSA-N 2 2 340.393 3.051 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000657296370 462025316 /nfs/dbraw/zinc/02/53/16/462025316.db2.gz STLMOKXQKDWOLC-UHFFFAOYSA-N 2 2 340.393 3.051 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657311899 462036195 /nfs/dbraw/zinc/03/61/95/462036195.db2.gz YQXSCCCUCGPEDU-KRWDZBQOSA-N 3 2 338.499 3.494 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657311899 462036201 /nfs/dbraw/zinc/03/62/01/462036201.db2.gz YQXSCCCUCGPEDU-KRWDZBQOSA-N 3 2 338.499 3.494 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccnn3CC3CC3)CC2)cc1 ZINC000657317454 462041214 /nfs/dbraw/zinc/04/12/14/462041214.db2.gz BILFOECSNMNKLP-UHFFFAOYSA-N 2 2 342.462 3.186 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]C3CCC(C4CCC4)CC3)CC2)CC1 ZINC000657338135 462057039 /nfs/dbraw/zinc/05/70/39/462057039.db2.gz RGCIMVUMVKSKOA-UHFFFAOYSA-N 3 2 333.564 3.494 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000657364045 462073016 /nfs/dbraw/zinc/07/30/16/462073016.db2.gz SAEJWCGTGAWCAT-XJKSGUPXSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000657364045 462073018 /nfs/dbraw/zinc/07/30/18/462073018.db2.gz SAEJWCGTGAWCAT-XJKSGUPXSA-N 2 2 344.421 3.331 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210986 462135336 /nfs/dbraw/zinc/13/53/36/462135336.db2.gz PRGOJEMHFBDDPL-HKUYNNGSSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210986 462135339 /nfs/dbraw/zinc/13/53/39/462135339.db2.gz PRGOJEMHFBDDPL-HKUYNNGSSA-N 2 2 326.488 3.466 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000667563720 462146216 /nfs/dbraw/zinc/14/62/16/462146216.db2.gz OIMPIXGIGFMSQY-INIZCTEOSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)CCCO1 ZINC000648560119 462176434 /nfs/dbraw/zinc/17/64/34/462176434.db2.gz UQDIHHNHRLZWEE-CYBMUJFWSA-N 2 2 337.851 3.072 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)CCCO1 ZINC000648560119 462176438 /nfs/dbraw/zinc/17/64/38/462176438.db2.gz UQDIHHNHRLZWEE-CYBMUJFWSA-N 2 2 337.851 3.072 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983300 462204572 /nfs/dbraw/zinc/20/45/72/462204572.db2.gz QXGLWOGMSLUPFM-KZNAEPCWSA-N 2 2 335.536 3.115 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706845 462223847 /nfs/dbraw/zinc/22/38/47/462223847.db2.gz JPCNCOLVVYSLDB-AYBZRNKSSA-N 2 2 348.462 3.050 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706845 462223851 /nfs/dbraw/zinc/22/38/51/462223851.db2.gz JPCNCOLVVYSLDB-AYBZRNKSSA-N 2 2 348.462 3.050 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[NH+](Cc4cccc(F)c4)CC3)c2c1C ZINC000645194037 462226254 /nfs/dbraw/zinc/22/62/54/462226254.db2.gz XAHQFCHCTPKDAM-UHFFFAOYSA-N 2 2 339.418 3.036 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2c1C ZINC000645195555 462228439 /nfs/dbraw/zinc/22/84/39/462228439.db2.gz RKIACDDXUFUDSZ-GDBMZVCRSA-N 2 2 325.460 3.028 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2c1C ZINC000645195555 462228444 /nfs/dbraw/zinc/22/84/44/462228444.db2.gz RKIACDDXUFUDSZ-GDBMZVCRSA-N 2 2 325.460 3.028 20 0 EGADLP COc1cc2ccc([C@H](C)[NH2+]CCn3cc[nH+]c3)cc2cc1OC ZINC000657822358 462284110 /nfs/dbraw/zinc/28/41/10/462284110.db2.gz ZBSRRPHLTJITPX-AWEZNQCLSA-N 2 2 325.412 3.404 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000651816598 462346999 /nfs/dbraw/zinc/34/69/99/462346999.db2.gz AKVBPVSJRRSJBI-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000651816598 462347000 /nfs/dbraw/zinc/34/70/00/462347000.db2.gz AKVBPVSJRRSJBI-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000651816598 462347002 /nfs/dbraw/zinc/34/70/02/462347002.db2.gz AKVBPVSJRRSJBI-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000651816598 462347003 /nfs/dbraw/zinc/34/70/03/462347003.db2.gz AKVBPVSJRRSJBI-NRFANRHFSA-N 2 2 338.499 3.407 20 0 EGADLP c1csc(-c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)c1 ZINC000665238356 462363777 /nfs/dbraw/zinc/36/37/77/462363777.db2.gz WTOIZTOQIGAQKA-MJGOQNOKSA-N 2 2 328.481 3.272 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCC(C)([NH+]4CCCC4)CC3)cc2[nH+]1 ZINC000640373176 462376677 /nfs/dbraw/zinc/37/66/77/462376677.db2.gz VRYNRCTVUVVCRA-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089859 462379030 /nfs/dbraw/zinc/37/90/30/462379030.db2.gz BJPGIHOEMDOIBR-RDJZCZTQSA-N 2 2 331.504 3.429 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089859 462379050 /nfs/dbraw/zinc/37/90/50/462379050.db2.gz BJPGIHOEMDOIBR-RDJZCZTQSA-N 2 2 331.504 3.429 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C4CCC4)C3)c2cc1C ZINC000665286642 462386289 /nfs/dbraw/zinc/38/62/89/462386289.db2.gz QTTGEIZEBPWBPM-ZWKOTPCHSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C4CCC4)C3)c2cc1C ZINC000665286642 462386293 /nfs/dbraw/zinc/38/62/93/462386293.db2.gz QTTGEIZEBPWBPM-ZWKOTPCHSA-N 2 2 327.472 3.136 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)[C@H]1CCCC[NH2+]1 ZINC000665293844 462388248 /nfs/dbraw/zinc/38/82/48/462388248.db2.gz DKVWNEASDIPTKR-NSISKUIASA-N 2 2 332.488 3.002 20 0 EGADLP COC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC)c1 ZINC000658163549 462413322 /nfs/dbraw/zinc/41/33/22/462413322.db2.gz KIIMETWMIZYXOC-IBGZPJMESA-N 2 2 341.455 3.036 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645842550 462443054 /nfs/dbraw/zinc/44/30/54/462443054.db2.gz ZUSKBABYGZIZMV-UHFFFAOYSA-N 2 2 349.797 3.248 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645842550 462443060 /nfs/dbraw/zinc/44/30/60/462443060.db2.gz ZUSKBABYGZIZMV-UHFFFAOYSA-N 2 2 349.797 3.248 20 0 EGADLP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000658292218 462460241 /nfs/dbraw/zinc/46/02/41/462460241.db2.gz ROWVORZVVJGGFT-QUCCMNQESA-N 2 2 332.488 3.379 20 0 EGADLP CSc1ccccc1C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293897 462460742 /nfs/dbraw/zinc/46/07/42/462460742.db2.gz JUDITLABHVAZKY-YJBOKZPZSA-N 2 2 334.529 3.182 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295803 462461352 /nfs/dbraw/zinc/46/13/52/462461352.db2.gz OOWFRUCZLSRYTN-UZLBHIALSA-N 2 2 344.499 3.261 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658296126 462462913 /nfs/dbraw/zinc/46/29/13/462462913.db2.gz QWKQFIBLMLFPEN-YZGWKJHDSA-N 2 2 343.515 3.259 20 0 EGADLP CC1CC[NH+]([C@H](CNc2cc[nH+]c(N(C)C)n2)c2ccccc2)CC1 ZINC000607143805 479782491 /nfs/dbraw/zinc/78/24/91/479782491.db2.gz KJIXUSKXWVPFDB-GOSISDBHSA-N 2 2 339.487 3.428 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000131820453 526414331 /nfs/dbraw/zinc/41/43/31/526414331.db2.gz LCXAWSWIJAZHHE-CQSZACIVSA-N 2 2 344.459 3.095 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000186902894 528111761 /nfs/dbraw/zinc/11/17/61/528111761.db2.gz HYBKQFFWTLQWGX-NSHDSACASA-N 2 2 332.261 3.366 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000173792158 528177979 /nfs/dbraw/zinc/17/79/79/528177979.db2.gz SYDQVFVFKHLLEK-OALUTQOASA-N 2 2 345.531 3.006 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000173792158 528177984 /nfs/dbraw/zinc/17/79/84/528177984.db2.gz SYDQVFVFKHLLEK-OALUTQOASA-N 2 2 345.531 3.006 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187373794 528184763 /nfs/dbraw/zinc/18/47/63/528184763.db2.gz DUHMHILJTFQTAN-GOSISDBHSA-N 2 2 344.478 3.234 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187373794 528184768 /nfs/dbraw/zinc/18/47/68/528184768.db2.gz DUHMHILJTFQTAN-GOSISDBHSA-N 2 2 344.478 3.234 20 0 EGADLP CC(C)[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CCCC1 ZINC000089723451 546647137 /nfs/dbraw/zinc/64/71/37/546647137.db2.gz TVMFNZFZQBXTBT-APWZRJJASA-N 2 2 340.471 3.170 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000090400582 546655722 /nfs/dbraw/zinc/65/57/22/546655722.db2.gz CQTDRNQOQNRTPB-CQSZACIVSA-N 2 2 331.485 3.135 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000163040596 546969690 /nfs/dbraw/zinc/96/96/90/546969690.db2.gz QORQVENWIPJYHK-QGZVFWFLSA-N 3 2 339.593 3.058 20 0 EGADLP CC(C)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000169283385 546992261 /nfs/dbraw/zinc/99/22/61/546992261.db2.gz VBXIEXWZHBTEKM-QAPCUYQASA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000169283385 546992264 /nfs/dbraw/zinc/99/22/64/546992264.db2.gz VBXIEXWZHBTEKM-QAPCUYQASA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000192764589 547203984 /nfs/dbraw/zinc/20/39/84/547203984.db2.gz WAOFADPUPZUNRX-UHFFFAOYSA-N 2 2 337.427 3.349 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000192764589 547203990 /nfs/dbraw/zinc/20/39/90/547203990.db2.gz WAOFADPUPZUNRX-UHFFFAOYSA-N 2 2 337.427 3.349 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000276522651 547356221 /nfs/dbraw/zinc/35/62/21/547356221.db2.gz CTVXSQULZYCARO-UHFFFAOYSA-N 2 2 326.444 3.009 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000276522651 547356227 /nfs/dbraw/zinc/35/62/27/547356227.db2.gz CTVXSQULZYCARO-UHFFFAOYSA-N 2 2 326.444 3.009 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541933 547828123 /nfs/dbraw/zinc/82/81/23/547828123.db2.gz HNSORXKMEVQWCS-VAMGGRTRSA-N 2 2 346.515 3.071 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541933 547828126 /nfs/dbraw/zinc/82/81/26/547828126.db2.gz HNSORXKMEVQWCS-VAMGGRTRSA-N 2 2 346.515 3.071 20 0 EGADLP [NH3+][C@H]1CCC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415183724 547864264 /nfs/dbraw/zinc/86/42/64/547864264.db2.gz JAJUKRRRVUEIDK-KBPBESRZSA-N 2 2 326.400 3.265 20 0 EGADLP c1nc(C2CC2)c(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000487323885 547973286 /nfs/dbraw/zinc/97/32/86/547973286.db2.gz OTGFLDDCQDPZAX-UHFFFAOYSA-N 2 2 349.544 3.393 20 0 EGADLP C[C@@H](CC[N@H+](C)Cc1cccc(O)c1)[NH+](C)Cc1cccc(O)c1 ZINC000532567934 548041114 /nfs/dbraw/zinc/04/11/14/548041114.db2.gz QYGQPCBFIHGQTN-INIZCTEOSA-N 2 2 328.456 3.440 20 0 EGADLP C[C@@H](CC[N@@H+](C)Cc1cccc(O)c1)[NH+](C)Cc1cccc(O)c1 ZINC000532567934 548041117 /nfs/dbraw/zinc/04/11/17/548041117.db2.gz QYGQPCBFIHGQTN-INIZCTEOSA-N 2 2 328.456 3.440 20 0 EGADLP C[C@@H](CC[NH+](C)Cc1cccc(O)c1)[N@H+](C)Cc1cccc(O)c1 ZINC000532567934 548041121 /nfs/dbraw/zinc/04/11/21/548041121.db2.gz QYGQPCBFIHGQTN-INIZCTEOSA-N 2 2 328.456 3.440 20 0 EGADLP C[C@@H](CC[NH+](C)Cc1cccc(O)c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000532567934 548041124 /nfs/dbraw/zinc/04/11/24/548041124.db2.gz QYGQPCBFIHGQTN-INIZCTEOSA-N 2 2 328.456 3.440 20 0 EGADLP CCn1ccc(C[N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000671243741 548268463 /nfs/dbraw/zinc/26/84/63/548268463.db2.gz SAUUUYKXGXUVQU-OAQYLSRUSA-N 2 2 341.499 3.231 20 0 EGADLP CCn1ccc(C[N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000671243741 548268465 /nfs/dbraw/zinc/26/84/65/548268465.db2.gz SAUUUYKXGXUVQU-OAQYLSRUSA-N 2 2 341.499 3.231 20 0 EGADLP CCn1ccc(C[NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000671243741 548268467 /nfs/dbraw/zinc/26/84/67/548268467.db2.gz SAUUUYKXGXUVQU-OAQYLSRUSA-N 2 2 341.499 3.231 20 0 EGADLP CCn1ccc(C[NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000671243741 548268469 /nfs/dbraw/zinc/26/84/69/548268469.db2.gz SAUUUYKXGXUVQU-OAQYLSRUSA-N 2 2 341.499 3.231 20 0 EGADLP COc1nc2ccccc2cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000671674041 548330624 /nfs/dbraw/zinc/33/06/24/548330624.db2.gz XOKCWBKYWSTGSY-UHFFFAOYSA-N 2 2 345.406 3.495 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000672614647 548453425 /nfs/dbraw/zinc/45/34/25/548453425.db2.gz GXMIXAQQPMEOKA-NHCUHLMSSA-N 2 2 338.495 3.233 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000672614647 548453430 /nfs/dbraw/zinc/45/34/30/548453430.db2.gz GXMIXAQQPMEOKA-NHCUHLMSSA-N 2 2 338.495 3.233 20 0 EGADLP Cc1cccc2[nH+]c(CN3CC[C@H]([N@H+](C)Cc4ccccc4)C3)cn21 ZINC000674250865 548711875 /nfs/dbraw/zinc/71/18/75/548711875.db2.gz HKJICKUYXUASGW-FQEVSTJZSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccc2[nH+]c(CN3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)cn21 ZINC000674250865 548711880 /nfs/dbraw/zinc/71/18/80/548711880.db2.gz HKJICKUYXUASGW-FQEVSTJZSA-N 2 2 334.467 3.349 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000675548123 548936281 /nfs/dbraw/zinc/93/62/81/548936281.db2.gz FBSHKOIBSZZXDP-UHFFFAOYSA-N 2 2 340.471 3.041 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC(C)C)[C@H](C)C1 ZINC000675750727 548974392 /nfs/dbraw/zinc/97/43/92/548974392.db2.gz QHEWCARJGKAKPB-IEBWSBKVSA-N 2 2 349.519 3.095 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC(C)C)[C@H](C)C1 ZINC000675750727 548974397 /nfs/dbraw/zinc/97/43/97/548974397.db2.gz QHEWCARJGKAKPB-IEBWSBKVSA-N 2 2 349.519 3.095 20 0 EGADLP COc1ccc2[nH]cc(CC[NH2+]Cc3c[nH+]c4ccc(C)cn34)c2c1 ZINC000676416368 549085877 /nfs/dbraw/zinc/08/58/77/549085877.db2.gz PTYYZKUOIYTMOC-UHFFFAOYSA-N 2 2 334.423 3.465 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477745 549093903 /nfs/dbraw/zinc/09/39/03/549093903.db2.gz NJJWKLXXTXRWTD-MOPGFXCFSA-N 2 2 340.471 3.178 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000676477745 549093906 /nfs/dbraw/zinc/09/39/06/549093906.db2.gz NJJWKLXXTXRWTD-MOPGFXCFSA-N 2 2 340.471 3.178 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476780 549093965 /nfs/dbraw/zinc/09/39/65/549093965.db2.gz BDKGPWJGOCYZGM-SJLPKXTDSA-N 2 2 332.492 3.090 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476780 549093968 /nfs/dbraw/zinc/09/39/68/549093968.db2.gz BDKGPWJGOCYZGM-SJLPKXTDSA-N 2 2 332.492 3.090 20 0 EGADLP CC1CC[NH+](C2CCC(Nc3cc(-n4cc[nH+]c4)ncn3)CC2)CC1 ZINC000676882819 549172524 /nfs/dbraw/zinc/17/25/24/549172524.db2.gz TVSOMGBZEBFIMK-UHFFFAOYSA-N 2 2 340.475 3.117 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000677028472 549195043 /nfs/dbraw/zinc/19/50/43/549195043.db2.gz LKJGRSIYIWEUSZ-FQEVSTJZSA-N 2 2 327.516 3.321 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000677028472 549195045 /nfs/dbraw/zinc/19/50/45/549195045.db2.gz LKJGRSIYIWEUSZ-FQEVSTJZSA-N 2 2 327.516 3.321 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000677184379 549224539 /nfs/dbraw/zinc/22/45/39/549224539.db2.gz ZVZPKMNFMUDEQK-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000677184379 549224544 /nfs/dbraw/zinc/22/45/44/549224544.db2.gz ZVZPKMNFMUDEQK-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000677502491 549281646 /nfs/dbraw/zinc/28/16/46/549281646.db2.gz MQVILPOLPUHCBQ-GOSISDBHSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000677502491 549281648 /nfs/dbraw/zinc/28/16/48/549281648.db2.gz MQVILPOLPUHCBQ-GOSISDBHSA-N 2 2 337.471 3.009 20 0 EGADLP Oc1ccc2c(c1)CC[N@@H+](Cc1c[nH+]c3ccc(Cl)cn13)CC2 ZINC000678221601 549428368 /nfs/dbraw/zinc/42/83/68/549428368.db2.gz SPFUGKCYVPSKFY-UHFFFAOYSA-N 2 2 327.815 3.294 20 0 EGADLP Oc1ccc2c(c1)CC[N@H+](Cc1c[nH+]c3ccc(Cl)cn13)CC2 ZINC000678221601 549428372 /nfs/dbraw/zinc/42/83/72/549428372.db2.gz SPFUGKCYVPSKFY-UHFFFAOYSA-N 2 2 327.815 3.294 20 0 EGADLP Cc1ncc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000679081016 549631124 /nfs/dbraw/zinc/63/11/24/549631124.db2.gz UZMASHUHHPPVMC-DOMZBBRYSA-N 2 2 331.489 3.160 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000679346769 549693144 /nfs/dbraw/zinc/69/31/44/549693144.db2.gz QUHHJPAWZVSTNL-MRXNPFEDSA-N 2 2 341.499 3.034 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2c1 ZINC000681402718 549992875 /nfs/dbraw/zinc/99/28/75/549992875.db2.gz RRXHWDVWODAWBY-ZDUSSCGKSA-N 2 2 328.441 3.339 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)sc2c1 ZINC000681402718 549992876 /nfs/dbraw/zinc/99/28/76/549992876.db2.gz RRXHWDVWODAWBY-ZDUSSCGKSA-N 2 2 328.441 3.339 20 0 EGADLP CCc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000681755623 550032957 /nfs/dbraw/zinc/03/29/57/550032957.db2.gz IEBZJDSGUSMKTM-FQEVSTJZSA-N 2 2 344.524 3.379 20 0 EGADLP CCc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000681755623 550032960 /nfs/dbraw/zinc/03/29/60/550032960.db2.gz IEBZJDSGUSMKTM-FQEVSTJZSA-N 2 2 344.524 3.379 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000681755623 550032962 /nfs/dbraw/zinc/03/29/62/550032962.db2.gz IEBZJDSGUSMKTM-FQEVSTJZSA-N 2 2 344.524 3.379 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000681755623 550032964 /nfs/dbraw/zinc/03/29/64/550032964.db2.gz IEBZJDSGUSMKTM-FQEVSTJZSA-N 2 2 344.524 3.379 20 0 EGADLP CC(C)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccnn1C ZINC000682642669 550125668 /nfs/dbraw/zinc/12/56/68/550125668.db2.gz AEZLRXXHTZTABD-HNNXBMFYSA-N 2 2 346.441 3.166 20 0 EGADLP COc1ccc2[nH+]c(NCCC[N@@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000683354173 550221492 /nfs/dbraw/zinc/22/14/92/550221492.db2.gz UJUIOCBLNKXZCN-OAHLLOKOSA-N 2 2 329.444 3.156 20 0 EGADLP COc1ccc2[nH+]c(NCCC[N@H+]3CCCO[C@H](C)C3)ccc2c1 ZINC000683354173 550221494 /nfs/dbraw/zinc/22/14/94/550221494.db2.gz UJUIOCBLNKXZCN-OAHLLOKOSA-N 2 2 329.444 3.156 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470423 550421159 /nfs/dbraw/zinc/42/11/59/550421159.db2.gz QDNWFEIAIFIMOU-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470423 550421161 /nfs/dbraw/zinc/42/11/61/550421161.db2.gz QDNWFEIAIFIMOU-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470423 550421163 /nfs/dbraw/zinc/42/11/63/550421163.db2.gz QDNWFEIAIFIMOU-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470423 550421164 /nfs/dbraw/zinc/42/11/64/550421164.db2.gz QDNWFEIAIFIMOU-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP Cc1nnsc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309897406 574523044 /nfs/dbraw/zinc/52/30/44/574523044.db2.gz GZWCIHSPXKGSNY-KRWDZBQOSA-N 2 2 330.501 3.238 20 0 EGADLP Cc1nnsc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309897406 574523046 /nfs/dbraw/zinc/52/30/46/574523046.db2.gz GZWCIHSPXKGSNY-KRWDZBQOSA-N 2 2 330.501 3.238 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000729681845 574878222 /nfs/dbraw/zinc/87/82/22/574878222.db2.gz KWALKNNXQSNYFV-QGZVFWFLSA-N 2 2 326.440 3.165 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000729681845 574878225 /nfs/dbraw/zinc/87/82/25/574878225.db2.gz KWALKNNXQSNYFV-QGZVFWFLSA-N 2 2 326.440 3.165 20 0 EGADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000733164020 575311960 /nfs/dbraw/zinc/31/19/60/575311960.db2.gz KFDKLIPHQPODAT-GOSISDBHSA-N 2 2 327.428 3.190 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000742378334 576776112 /nfs/dbraw/zinc/77/61/12/576776112.db2.gz SLLALFYXTXZBGM-UHFFFAOYSA-N 2 2 349.482 3.388 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000742378334 576776114 /nfs/dbraw/zinc/77/61/14/576776114.db2.gz SLLALFYXTXZBGM-UHFFFAOYSA-N 2 2 349.482 3.388 20 0 EGADLP COc1cc2c(cc1C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)O[C@@H](C)C2 ZINC000042208790 1291434652 /nfs/dbraw/zinc/43/46/52/1291434652.db2.gz NEZPNLNTTDIYKT-HNNXBMFYSA-N 2 2 349.434 3.494 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000062254764 1291984803 /nfs/dbraw/zinc/98/48/03/1291984803.db2.gz SRMIFOUFZCODAF-LBPRGKRZSA-N 2 2 338.249 3.080 20 0 EGADLP Fc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000069747538 1292249333 /nfs/dbraw/zinc/24/93/33/1292249333.db2.gz UIZGMIBNKVDTNJ-UHFFFAOYSA-N 2 2 332.394 3.087 20 0 EGADLP CC(C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685373 1292355398 /nfs/dbraw/zinc/35/53/98/1292355398.db2.gz MHGFOIYNVMEQOX-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP CC(C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685373 1292355411 /nfs/dbraw/zinc/35/54/11/1292355411.db2.gz MHGFOIYNVMEQOX-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)O[C@@H](C)CC(C)C)CC2)CC1 ZINC000827751755 1292365117 /nfs/dbraw/zinc/36/51/17/1292365117.db2.gz ARVPSCZXJNEJEH-KRWDZBQOSA-N 2 2 339.524 3.050 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)O[C@@H](C)CC(C)C)CC2)CC1 ZINC000827751755 1292365126 /nfs/dbraw/zinc/36/51/26/1292365126.db2.gz ARVPSCZXJNEJEH-KRWDZBQOSA-N 2 2 339.524 3.050 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCn3cc[nH+]c3)CC[C@H]21 ZINC000827933779 1292406506 /nfs/dbraw/zinc/40/65/06/1292406506.db2.gz PZFRPVQBKRUFJP-IXDOHACOSA-N 2 2 348.491 3.041 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000827934758 1292407289 /nfs/dbraw/zinc/40/72/89/1292407289.db2.gz IQSHEJGDIUJVFP-OAHLLOKOSA-N 2 2 334.423 3.082 20 0 EGADLP CC(C)c1noc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000089577587 1292771671 /nfs/dbraw/zinc/77/16/71/1292771671.db2.gz YOTJNPYVVKJNJP-CQSZACIVSA-N 2 2 325.416 3.272 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850860 1293157656 /nfs/dbraw/zinc/15/76/56/1293157656.db2.gz QXUYKQXUPRYKSW-ZFWWWQNUSA-N 2 2 344.471 3.499 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850860 1293157660 /nfs/dbraw/zinc/15/76/60/1293157660.db2.gz QXUYKQXUPRYKSW-ZFWWWQNUSA-N 2 2 344.471 3.499 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000114758364 1293176869 /nfs/dbraw/zinc/17/68/69/1293176869.db2.gz QXQCGLGFCFMECP-UHFFFAOYSA-N 2 2 328.403 3.261 20 0 EGADLP CCOc1c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(C)nn1CC(C)C ZINC000120942681 1293346750 /nfs/dbraw/zinc/34/67/50/1293346750.db2.gz JSECMCJDONSPBJ-INIZCTEOSA-N 2 2 336.524 3.068 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)C1 ZINC000122331420 1293409108 /nfs/dbraw/zinc/40/91/08/1293409108.db2.gz CJAWPYVOGDBSJK-UTKZUKDTSA-N 3 2 344.547 3.041 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)C1 ZINC000122331420 1293409112 /nfs/dbraw/zinc/40/91/12/1293409112.db2.gz CJAWPYVOGDBSJK-UTKZUKDTSA-N 3 2 344.547 3.041 20 0 EGADLP Cc1cnc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000122961893 1293430655 /nfs/dbraw/zinc/43/06/55/1293430655.db2.gz MDULAJKPJSLDDC-UHFFFAOYSA-N 2 2 330.501 3.276 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125037208 1293492609 /nfs/dbraw/zinc/49/26/09/1293492609.db2.gz ZDPATSKVEIPCIE-KRWDZBQOSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000125037208 1293492613 /nfs/dbraw/zinc/49/26/13/1293492613.db2.gz ZDPATSKVEIPCIE-KRWDZBQOSA-N 2 2 339.524 3.242 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(C)CCCC[C@H]3O)CC2)cc1 ZINC000159217336 1294229127 /nfs/dbraw/zinc/22/91/27/1294229127.db2.gz YXCGQNIFWSAYFK-NHCUHLMSSA-N 2 2 345.531 3.252 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179435697 1294793879 /nfs/dbraw/zinc/79/38/79/1294793879.db2.gz DKTMXPQIFBURLB-IBGZPJMESA-N 2 2 349.482 3.120 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OC ZINC000182611270 1295063193 /nfs/dbraw/zinc/06/31/93/1295063193.db2.gz TZIIMKSKZYQELE-QFBILLFUSA-N 3 2 333.520 3.282 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OC ZINC000182611270 1295063202 /nfs/dbraw/zinc/06/32/02/1295063202.db2.gz TZIIMKSKZYQELE-QFBILLFUSA-N 3 2 333.520 3.282 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183507029 1295125594 /nfs/dbraw/zinc/12/55/94/1295125594.db2.gz MMVBGOYRGOFTTA-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000183507029 1295125602 /nfs/dbraw/zinc/12/56/02/1295125602.db2.gz MMVBGOYRGOFTTA-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP C/C=C(\CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189187120 1295506877 /nfs/dbraw/zinc/50/68/77/1295506877.db2.gz NIPFOVVXVRTFSS-OLRZZNLISA-N 2 2 335.536 3.138 20 0 EGADLP C/C=C(\CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189187120 1295506890 /nfs/dbraw/zinc/50/68/90/1295506890.db2.gz NIPFOVVXVRTFSS-OLRZZNLISA-N 2 2 335.536 3.138 20 0 EGADLP Cc1cc(Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)nc(C)[nH+]1 ZINC000189577242 1295533127 /nfs/dbraw/zinc/53/31/27/1295533127.db2.gz YZLOLTWEHNBECW-UHFFFAOYSA-N 2 2 325.460 3.367 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000246579357 1296361157 /nfs/dbraw/zinc/36/11/57/1296361157.db2.gz SBBMGKFZNLLARA-UGSOOPFHSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000246579357 1296361169 /nfs/dbraw/zinc/36/11/69/1296361169.db2.gz SBBMGKFZNLLARA-UGSOOPFHSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2cc1F ZINC000246579357 1296361182 /nfs/dbraw/zinc/36/11/82/1296361182.db2.gz SBBMGKFZNLLARA-UGSOOPFHSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2cc1F ZINC000246579357 1296361193 /nfs/dbraw/zinc/36/11/93/1296361193.db2.gz SBBMGKFZNLLARA-UGSOOPFHSA-N 2 2 346.425 3.221 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583138 1296420667 /nfs/dbraw/zinc/42/06/67/1296420667.db2.gz WORYWBRZHZYBTO-WMLDXEAASA-N 2 2 328.859 3.319 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583138 1296420672 /nfs/dbraw/zinc/42/06/72/1296420672.db2.gz WORYWBRZHZYBTO-WMLDXEAASA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583138 1296420678 /nfs/dbraw/zinc/42/06/78/1296420678.db2.gz WORYWBRZHZYBTO-WMLDXEAASA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000248583138 1296420682 /nfs/dbraw/zinc/42/06/82/1296420682.db2.gz WORYWBRZHZYBTO-WMLDXEAASA-N 2 2 328.859 3.319 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(O)c1F ZINC000872018363 1296660034 /nfs/dbraw/zinc/66/00/34/1296660034.db2.gz LMKOHFFIBPUPAT-HNNXBMFYSA-N 2 2 344.430 3.214 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147438 1296767608 /nfs/dbraw/zinc/76/76/08/1296767608.db2.gz ATFSVBYHTFSMRC-RISCZKNCSA-N 2 2 343.324 3.050 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147438 1296767616 /nfs/dbraw/zinc/76/76/16/1296767616.db2.gz ATFSVBYHTFSMRC-RISCZKNCSA-N 2 2 343.324 3.050 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514801 1296790064 /nfs/dbraw/zinc/79/00/64/1296790064.db2.gz ODWVFLCHZWWNMF-DLBZAZTESA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000310570339 1297097709 /nfs/dbraw/zinc/09/77/09/1297097709.db2.gz OVEUSROKQGLTAC-GOSISDBHSA-N 2 2 347.503 3.328 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478306 1297426842 /nfs/dbraw/zinc/42/68/42/1297426842.db2.gz XTAFHJLEYWCMDS-XHDPSFHLSA-N 2 2 345.256 3.169 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCOc1cc(F)cc(Br)c1 ZINC000351478306 1297426846 /nfs/dbraw/zinc/42/68/46/1297426846.db2.gz XTAFHJLEYWCMDS-XHDPSFHLSA-N 2 2 345.256 3.169 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c(C)c[nH+]1 ZINC000873314339 1297427640 /nfs/dbraw/zinc/42/76/40/1297427640.db2.gz NFHTXWITHDDZTK-FUHWJXTLSA-N 2 2 344.503 3.272 20 0 EGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386561422 1297591535 /nfs/dbraw/zinc/59/15/35/1297591535.db2.gz JDRJCGHPBAVLBB-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CCC1 ZINC000386726135 1297593312 /nfs/dbraw/zinc/59/33/12/1297593312.db2.gz UCIQMYKVNZZGPJ-NRFANRHFSA-N 2 2 349.478 3.236 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CCC1 ZINC000386726135 1297593324 /nfs/dbraw/zinc/59/33/24/1297593324.db2.gz UCIQMYKVNZZGPJ-NRFANRHFSA-N 2 2 349.478 3.236 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000390701972 1297631438 /nfs/dbraw/zinc/63/14/38/1297631438.db2.gz MKSBHHGBZMWWBG-IAGOWNOFSA-N 2 2 339.524 3.145 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444800270 1297861515 /nfs/dbraw/zinc/86/15/15/1297861515.db2.gz JAKSFNONBJBDAB-CHWSQXEVSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444800270 1297861526 /nfs/dbraw/zinc/86/15/26/1297861526.db2.gz JAKSFNONBJBDAB-CHWSQXEVSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881224 1298153384 /nfs/dbraw/zinc/15/33/84/1298153384.db2.gz ZFJIOKWPBFKWEP-PMPSAXMXSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881224 1298153390 /nfs/dbraw/zinc/15/33/90/1298153390.db2.gz ZFJIOKWPBFKWEP-PMPSAXMXSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000724027133 1298344129 /nfs/dbraw/zinc/34/41/29/1298344129.db2.gz BJHDSZTWSGKUAX-BRWVUGGUSA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)(C)OC(=O)NCC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000876621123 1298875154 /nfs/dbraw/zinc/87/51/54/1298875154.db2.gz VVYGDHZAIXVNGO-HNNXBMFYSA-N 2 2 348.491 3.284 20 0 EGADLP CC(C)(C)OC(=O)NCC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000876621123 1298875157 /nfs/dbraw/zinc/87/51/57/1298875157.db2.gz VVYGDHZAIXVNGO-HNNXBMFYSA-N 2 2 348.491 3.284 20 0 EGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000749587064 1299239967 /nfs/dbraw/zinc/23/99/67/1299239967.db2.gz FYCBLEZBGPRKDI-BQFCYCMXSA-N 2 2 349.519 3.051 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742623 1299519591 /nfs/dbraw/zinc/51/95/91/1299519591.db2.gz FQYGMBQIZKSZAE-UYAOXDASSA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742623 1299519595 /nfs/dbraw/zinc/51/95/95/1299519595.db2.gz FQYGMBQIZKSZAE-UYAOXDASSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742623 1299519602 /nfs/dbraw/zinc/51/96/02/1299519602.db2.gz FQYGMBQIZKSZAE-UYAOXDASSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742623 1299519610 /nfs/dbraw/zinc/51/96/10/1299519610.db2.gz FQYGMBQIZKSZAE-UYAOXDASSA-N 2 2 325.431 3.414 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+](C)CCCn2cc[nH+]c2)co1 ZINC000878319496 1299914844 /nfs/dbraw/zinc/91/48/44/1299914844.db2.gz UGKPLHUFNGSKFI-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+](C)CCCn2cc[nH+]c2)co1 ZINC000878319496 1299914859 /nfs/dbraw/zinc/91/48/59/1299914859.db2.gz UGKPLHUFNGSKFI-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000756891207 1300583846 /nfs/dbraw/zinc/58/38/46/1300583846.db2.gz ACJZWCRDYLQAKH-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000756891207 1300583851 /nfs/dbraw/zinc/58/38/51/1300583851.db2.gz ACJZWCRDYLQAKH-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135179 1300944183 /nfs/dbraw/zinc/94/41/83/1300944183.db2.gz RGFXJPIUCHUDGS-PMACEKPBSA-N 2 2 337.467 3.337 20 0 EGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135179 1300944190 /nfs/dbraw/zinc/94/41/90/1300944190.db2.gz RGFXJPIUCHUDGS-PMACEKPBSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135179 1300944198 /nfs/dbraw/zinc/94/41/98/1300944198.db2.gz RGFXJPIUCHUDGS-PMACEKPBSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135179 1300944206 /nfs/dbraw/zinc/94/42/06/1300944206.db2.gz RGFXJPIUCHUDGS-PMACEKPBSA-N 2 2 337.467 3.337 20 0 EGADLP C=Cc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000880204150 1300982116 /nfs/dbraw/zinc/98/21/16/1300982116.db2.gz AEOWKOGFITYZGN-UHFFFAOYSA-N 2 2 342.487 3.010 20 0 EGADLP C[C@@H](CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205895 1300982616 /nfs/dbraw/zinc/98/26/16/1300982616.db2.gz VRZHDLMDCANDJS-RXVVDRJESA-N 2 2 346.515 3.215 20 0 EGADLP C[C@@H](CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205895 1300982620 /nfs/dbraw/zinc/98/26/20/1300982620.db2.gz VRZHDLMDCANDJS-RXVVDRJESA-N 2 2 346.515 3.215 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000880458679 1301125370 /nfs/dbraw/zinc/12/53/70/1301125370.db2.gz HUEWEJZCIBTPHK-UHFFFAOYSA-N 2 2 344.499 3.054 20 0 EGADLP c1cn(C[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)c[nH+]1 ZINC000880569671 1301166409 /nfs/dbraw/zinc/16/64/09/1301166409.db2.gz OAFNYCKKSCBRHA-ZWKOTPCHSA-N 2 2 335.407 3.054 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)cc2)c[nH+]1 ZINC000762612683 1301713126 /nfs/dbraw/zinc/71/31/26/1301713126.db2.gz HYMICIUYGQZNAX-ZACQAIPSSA-N 2 2 331.510 3.342 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789615 1302326239 /nfs/dbraw/zinc/32/62/39/1302326239.db2.gz BWBYNWNBFZMPBP-UXLLHSPISA-N 2 2 338.879 3.253 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789615 1302326250 /nfs/dbraw/zinc/32/62/50/1302326250.db2.gz BWBYNWNBFZMPBP-UXLLHSPISA-N 2 2 338.879 3.253 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000883388194 1302427113 /nfs/dbraw/zinc/42/71/13/1302427113.db2.gz OZFYXUHBMLTHDV-LPHOPBHVSA-N 2 2 336.439 3.249 20 0 EGADLP COc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1OC ZINC000883398572 1302431378 /nfs/dbraw/zinc/43/13/78/1302431378.db2.gz PXAZIKHJGJZNJG-GOSISDBHSA-N 2 2 337.423 3.431 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000766458624 1302456144 /nfs/dbraw/zinc/45/61/44/1302456144.db2.gz GFDNFKLIEYQWRW-GOSISDBHSA-N 2 2 347.459 3.079 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414026 1302665782 /nfs/dbraw/zinc/66/57/82/1302665782.db2.gz DTVIWPZRMCGIDB-UXHICEINSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414026 1302665793 /nfs/dbraw/zinc/66/57/93/1302665793.db2.gz DTVIWPZRMCGIDB-UXHICEINSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414026 1302665804 /nfs/dbraw/zinc/66/58/04/1302665804.db2.gz DTVIWPZRMCGIDB-UXHICEINSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414026 1302665820 /nfs/dbraw/zinc/66/58/20/1302665820.db2.gz DTVIWPZRMCGIDB-UXHICEINSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414029 1302666872 /nfs/dbraw/zinc/66/68/72/1302666872.db2.gz DTVIWPZRMCGIDB-WOJBJXKFSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414029 1302666876 /nfs/dbraw/zinc/66/68/76/1302666876.db2.gz DTVIWPZRMCGIDB-WOJBJXKFSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414029 1302666889 /nfs/dbraw/zinc/66/68/89/1302666889.db2.gz DTVIWPZRMCGIDB-WOJBJXKFSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414029 1302666901 /nfs/dbraw/zinc/66/69/01/1302666901.db2.gz DTVIWPZRMCGIDB-WOJBJXKFSA-N 2 2 326.484 3.342 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](CCO)c3ccco3)CC2)cc1 ZINC000769419446 1303109490 /nfs/dbraw/zinc/10/94/90/1303109490.db2.gz UOYXYSQVKMXWMB-IBGZPJMESA-N 2 2 343.471 3.028 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769685740 1303157245 /nfs/dbraw/zinc/15/72/45/1303157245.db2.gz SXGBSMOKOVLVGR-BZUAXINKSA-N 2 2 327.513 3.142 20 0 EGADLP c1ccc([C@@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC000885891615 1303268512 /nfs/dbraw/zinc/26/85/12/1303268512.db2.gz KMLRQLIANOUSLD-WOJBJXKFSA-N 2 2 344.499 3.141 20 0 EGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885913355 1303273718 /nfs/dbraw/zinc/27/37/18/1303273718.db2.gz APPSHRSJEAIWNT-WOJBJXKFSA-N 2 2 344.499 3.141 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)[nH+]c1C ZINC000886668268 1303547660 /nfs/dbraw/zinc/54/76/60/1303547660.db2.gz PWAYNNFFZOQEMX-UHFFFAOYSA-N 2 2 348.397 3.123 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C)cc3C)CC2)[nH+]c1C ZINC000886667596 1303547822 /nfs/dbraw/zinc/54/78/22/1303547822.db2.gz DIORTOBWZSVWPK-UHFFFAOYSA-N 2 2 340.471 3.461 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609215 1303993395 /nfs/dbraw/zinc/99/33/95/1303993395.db2.gz SNZSFFVVSQOMAZ-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609215 1303993399 /nfs/dbraw/zinc/99/33/99/1303993399.db2.gz SNZSFFVVSQOMAZ-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609215 1303993404 /nfs/dbraw/zinc/99/34/04/1303993404.db2.gz SNZSFFVVSQOMAZ-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609215 1303993412 /nfs/dbraw/zinc/99/34/12/1303993412.db2.gz SNZSFFVVSQOMAZ-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778187271 1304413170 /nfs/dbraw/zinc/41/31/70/1304413170.db2.gz IOTUCBRNBVJNCN-AWEZNQCLSA-N 2 2 341.846 3.135 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)C1 ZINC000778998945 1304516264 /nfs/dbraw/zinc/51/62/64/1304516264.db2.gz HLULNDFCNSPBFF-INIZCTEOSA-N 2 2 339.524 3.240 20 0 EGADLP CC[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCC1 ZINC000779015257 1304518831 /nfs/dbraw/zinc/51/88/31/1304518831.db2.gz SKUXLSNCLJOKBA-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CCCOC1 ZINC000780737613 1304732072 /nfs/dbraw/zinc/73/20/72/1304732072.db2.gz ALZMCZCYNWCOAU-SJORKVTESA-N 2 2 331.504 3.444 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)CC3 ZINC000782756758 1305009391 /nfs/dbraw/zinc/00/93/91/1305009391.db2.gz GRLHOTABLBQVPH-HZPDHXFCSA-N 2 2 341.499 3.498 20 0 EGADLP c1coc(-c2ncc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)s2)c1 ZINC000785466622 1305357964 /nfs/dbraw/zinc/35/79/64/1305357964.db2.gz QRTJSJMWNAJCSG-OAHLLOKOSA-N 2 2 347.484 3.136 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn(C)c2C2CC2)CC1 ZINC000894078801 1306204822 /nfs/dbraw/zinc/20/48/22/1306204822.db2.gz AXDRPGFPERKHKR-UHFFFAOYSA-N 2 2 326.444 3.044 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000801519794 1310953226 /nfs/dbraw/zinc/95/32/26/1310953226.db2.gz WYRIXTRPZRRRKQ-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000801519794 1310953234 /nfs/dbraw/zinc/95/32/34/1310953234.db2.gz WYRIXTRPZRRRKQ-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)c[nH+]1 ZINC001019030797 1317014951 /nfs/dbraw/zinc/01/49/51/1317014951.db2.gz UDIICGQVALTJAX-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019040141 1317018306 /nfs/dbraw/zinc/01/83/06/1317018306.db2.gz KVSMRGDKWVZBPB-WBVHZDCISA-N 2 2 348.450 3.437 20 0 EGADLP CCC(CC)C[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000957049989 1317149078 /nfs/dbraw/zinc/14/90/78/1317149078.db2.gz RWZPBEZQILPAIE-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902348421 1317566395 /nfs/dbraw/zinc/56/63/95/1317566395.db2.gz LVPQGIZOFACDIE-MRXNPFEDSA-N 3 2 330.451 3.188 20 0 EGADLP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000957759854 1317625443 /nfs/dbraw/zinc/62/54/43/1317625443.db2.gz FHGAKEKBTDEZJB-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000957759854 1317625450 /nfs/dbraw/zinc/62/54/50/1317625450.db2.gz FHGAKEKBTDEZJB-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000903196123 1317671090 /nfs/dbraw/zinc/67/10/90/1317671090.db2.gz IEZRMRPQLRCMMA-YSSFQJQWSA-N 2 2 330.472 3.417 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000903196123 1317671092 /nfs/dbraw/zinc/67/10/92/1317671092.db2.gz IEZRMRPQLRCMMA-YSSFQJQWSA-N 2 2 330.472 3.417 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921107 1317748643 /nfs/dbraw/zinc/74/86/43/1317748643.db2.gz NAUHTVKNFGKBPK-RHSMWYFYSA-N 3 2 325.447 3.133 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921107 1317748650 /nfs/dbraw/zinc/74/86/50/1317748650.db2.gz NAUHTVKNFGKBPK-RHSMWYFYSA-N 3 2 325.447 3.133 20 0 EGADLP Clc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2ncccc12 ZINC000903974932 1317759501 /nfs/dbraw/zinc/75/95/01/1317759501.db2.gz XECQWYGWNJARLF-HNNXBMFYSA-N 2 2 345.874 3.137 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000904305607 1317827513 /nfs/dbraw/zinc/82/75/13/1317827513.db2.gz QMCXPJMKWTXSPX-HOTGVXAUSA-N 2 2 329.492 3.062 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000904305607 1317827524 /nfs/dbraw/zinc/82/75/24/1317827524.db2.gz QMCXPJMKWTXSPX-HOTGVXAUSA-N 2 2 329.492 3.062 20 0 EGADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326398 1317831568 /nfs/dbraw/zinc/83/15/68/1317831568.db2.gz ITGODPMGKAJRHA-LEWJYISDSA-N 3 2 329.532 3.220 20 0 EGADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326398 1317831580 /nfs/dbraw/zinc/83/15/80/1317831580.db2.gz ITGODPMGKAJRHA-LEWJYISDSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326398 1317831589 /nfs/dbraw/zinc/83/15/89/1317831589.db2.gz ITGODPMGKAJRHA-LEWJYISDSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904326398 1317831600 /nfs/dbraw/zinc/83/16/00/1317831600.db2.gz ITGODPMGKAJRHA-LEWJYISDSA-N 3 2 329.532 3.220 20 0 EGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C[C@@H](O)c1ccc(C)cc1 ZINC000809581528 1317837105 /nfs/dbraw/zinc/83/71/05/1317837105.db2.gz LYZHRGYYJPCZKK-QGZVFWFLSA-N 2 2 333.501 3.069 20 0 EGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C[C@@H](O)c1ccc(C)cc1 ZINC000809581528 1317837111 /nfs/dbraw/zinc/83/71/11/1317837111.db2.gz LYZHRGYYJPCZKK-QGZVFWFLSA-N 2 2 333.501 3.069 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000905097032 1317923441 /nfs/dbraw/zinc/92/34/41/1317923441.db2.gz KULRKWHHCCEUHW-HKUYNNGSSA-N 2 2 348.531 3.152 20 0 EGADLP CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000960709598 1318813530 /nfs/dbraw/zinc/81/35/30/1318813530.db2.gz LROLVCSEBUFALG-DQPZFDDXSA-N 2 2 340.471 3.145 20 0 EGADLP CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000960709598 1318813538 /nfs/dbraw/zinc/81/35/38/1318813538.db2.gz LROLVCSEBUFALG-DQPZFDDXSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905676 1319048547 /nfs/dbraw/zinc/04/85/47/1319048547.db2.gz XMQSGWWROQSFQQ-NVXWUHKLSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905676 1319048553 /nfs/dbraw/zinc/04/85/53/1319048553.db2.gz XMQSGWWROQSFQQ-NVXWUHKLSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@H]([NH2+]CCOC1CCSCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000930180037 1328805340 /nfs/dbraw/zinc/80/53/40/1328805340.db2.gz KZSQAFLDNXJHCH-HNNXBMFYSA-N 2 2 331.485 3.435 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC(C)CC1 ZINC000960992343 1319123293 /nfs/dbraw/zinc/12/32/93/1319123293.db2.gz PEUOHDUFPBBPCN-VJFUWPCTSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC(C)CC1 ZINC000960992343 1319123296 /nfs/dbraw/zinc/12/32/96/1319123296.db2.gz PEUOHDUFPBBPCN-VJFUWPCTSA-N 2 2 346.519 3.010 20 0 EGADLP NC(=[NH+]OCc1cccc(C[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000817377139 1319344545 /nfs/dbraw/zinc/34/45/45/1319344545.db2.gz QDEGMBGDEDCHSS-UHFFFAOYSA-N 2 2 331.460 3.098 20 0 EGADLP Cc1cc(CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc(C)[nH+]1 ZINC000817784946 1319443591 /nfs/dbraw/zinc/44/35/91/1319443591.db2.gz FUIKDQMFDHAJLL-UHFFFAOYSA-N 2 2 340.471 3.102 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CCC[NH2+]1 ZINC000817975283 1319482678 /nfs/dbraw/zinc/48/26/78/1319482678.db2.gz SOAVNKDBFYFIBH-GUYCJALGSA-N 2 2 326.868 3.076 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371345 1319484753 /nfs/dbraw/zinc/48/47/53/1319484753.db2.gz XWEVBHQJOYYJTM-WBVHZDCISA-N 2 2 342.487 3.131 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371345 1319484757 /nfs/dbraw/zinc/48/47/57/1319484757.db2.gz XWEVBHQJOYYJTM-WBVHZDCISA-N 2 2 342.487 3.131 20 0 EGADLP CCCCn1c(SC[C@H]2CCC[N@@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000915471965 1319487835 /nfs/dbraw/zinc/48/78/35/1319487835.db2.gz PRWVBUIQAAMQMY-CABCVRRESA-N 2 2 339.553 3.277 20 0 EGADLP CCCCn1c(SC[C@H]2CCC[N@H+]2C)nnc1[C@H](CC)[NH+](C)C ZINC000915471965 1319487839 /nfs/dbraw/zinc/48/78/39/1319487839.db2.gz PRWVBUIQAAMQMY-CABCVRRESA-N 2 2 339.553 3.277 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445554 1319543345 /nfs/dbraw/zinc/54/33/45/1319543345.db2.gz UJVNKDUDKWXAPV-MRXNPFEDSA-N 2 2 342.487 3.441 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445554 1319543349 /nfs/dbraw/zinc/54/33/49/1319543349.db2.gz UJVNKDUDKWXAPV-MRXNPFEDSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC[NH2+]C(C)(C)C)n2)C1 ZINC000930473229 1328865160 /nfs/dbraw/zinc/86/51/60/1328865160.db2.gz MATXQTVCSMOWOY-ZDUSSCGKSA-N 2 2 338.521 3.092 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[NH2+]C(C)(C)C)n2)C1 ZINC000930473229 1328865162 /nfs/dbraw/zinc/86/51/62/1328865162.db2.gz MATXQTVCSMOWOY-ZDUSSCGKSA-N 2 2 338.521 3.092 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824098595 1320229188 /nfs/dbraw/zinc/22/91/88/1320229188.db2.gz MMNVBIYIYOCIQB-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824098595 1320229192 /nfs/dbraw/zinc/22/91/92/1320229192.db2.gz MMNVBIYIYOCIQB-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]1C[C@@H](C[NH2+]CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824235460 1320240875 /nfs/dbraw/zinc/24/08/75/1320240875.db2.gz AVSIKPISZXRJLU-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[C@@H](C[NH2+]C2(C[NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824333087 1320248904 /nfs/dbraw/zinc/24/89/04/1320248904.db2.gz SKLVMTUDFYYINM-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP O=C(C[NH2+]C1CC[NH+](C2CC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000838914720 1320834276 /nfs/dbraw/zinc/83/42/76/1320834276.db2.gz BHLHVLKMWXKRKO-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057721 1321210965 /nfs/dbraw/zinc/21/09/65/1321210965.db2.gz MJTSOFUXPNYENF-QGZVFWFLSA-N 2 2 346.906 3.433 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842667746 1321415253 /nfs/dbraw/zinc/41/52/53/1321415253.db2.gz CUKGNKZQWMGLQM-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842667746 1321415257 /nfs/dbraw/zinc/41/52/57/1321415257.db2.gz CUKGNKZQWMGLQM-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP CCc1cc2oc(=O)cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c2cc1Cl ZINC000843356484 1321505370 /nfs/dbraw/zinc/50/53/70/1321505370.db2.gz RQOVXNWEBOIQJM-SFHVURJKSA-N 2 2 336.863 3.472 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000843376539 1321508381 /nfs/dbraw/zinc/50/83/81/1321508381.db2.gz AOLNDCFGBFJWLS-CLCXKQKWSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000843376539 1321508384 /nfs/dbraw/zinc/50/83/84/1321508384.db2.gz AOLNDCFGBFJWLS-CLCXKQKWSA-N 2 2 325.456 3.226 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329461 1321590199 /nfs/dbraw/zinc/59/01/99/1321590199.db2.gz OJXYBKKZELWURD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329461 1321590205 /nfs/dbraw/zinc/59/02/05/1321590205.db2.gz OJXYBKKZELWURD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329461 1321590210 /nfs/dbraw/zinc/59/02/10/1321590210.db2.gz OJXYBKKZELWURD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cnc(C)cn3)C2)s1 ZINC000844329461 1321590213 /nfs/dbraw/zinc/59/02/13/1321590213.db2.gz OJXYBKKZELWURD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145621 1321771153 /nfs/dbraw/zinc/77/11/53/1321771153.db2.gz MAYISPRGSYHXTM-GDBMZVCRSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000846145621 1321771155 /nfs/dbraw/zinc/77/11/55/1321771155.db2.gz MAYISPRGSYHXTM-GDBMZVCRSA-N 2 2 336.476 3.237 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CCC([NH+]4CCCCC4)CC3)ccn12 ZINC000847553447 1321879060 /nfs/dbraw/zinc/87/90/60/1321879060.db2.gz RWIYURYAHFBJMA-UHFFFAOYSA-N 2 2 340.471 3.170 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc2O1 ZINC000848927727 1322048030 /nfs/dbraw/zinc/04/80/30/1322048030.db2.gz MBQKAWQRVRKHGC-MSOLQXFVSA-N 2 2 330.472 3.438 20 0 EGADLP CC1(C)OCc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2O1 ZINC000848927727 1322048035 /nfs/dbraw/zinc/04/80/35/1322048035.db2.gz MBQKAWQRVRKHGC-MSOLQXFVSA-N 2 2 330.472 3.438 20 0 EGADLP [NH2+]=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N1CCCCC1 ZINC000849055388 1322060687 /nfs/dbraw/zinc/06/06/87/1322060687.db2.gz VFFQMQILNPAMOK-KRWDZBQOSA-N 2 2 334.895 3.487 20 0 EGADLP CCNC(=[NH2+])NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000849074245 1322067209 /nfs/dbraw/zinc/06/72/09/1322067209.db2.gz KOKVMAMWZIJTLE-UHFFFAOYSA-N 2 2 333.439 3.232 20 0 EGADLP Cc1nn(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1Cl ZINC000921587683 1322359557 /nfs/dbraw/zinc/35/95/57/1322359557.db2.gz CMQIEXNXJSVEHJ-UHFFFAOYSA-N 2 2 347.825 3.305 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000921802592 1322399999 /nfs/dbraw/zinc/39/99/99/1322399999.db2.gz TVRBUQXNWWUALN-FQEVSTJZSA-N 2 2 349.482 3.490 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521868 1322769150 /nfs/dbraw/zinc/76/91/50/1322769150.db2.gz XOACUUHSPUFKCL-NZSAHSFTSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521868 1322769154 /nfs/dbraw/zinc/76/91/54/1322769154.db2.gz XOACUUHSPUFKCL-NZSAHSFTSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ncnn21 ZINC000924586152 1323064372 /nfs/dbraw/zinc/06/43/72/1323064372.db2.gz HQNNGMCECGKJCY-MAUKXSAKSA-N 2 2 325.460 3.060 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(Br)CC1 ZINC000924623376 1323080434 /nfs/dbraw/zinc/08/04/34/1323080434.db2.gz HNENEQVWSUZMML-CYBMUJFWSA-N 2 2 334.261 3.337 20 0 EGADLP C[C@H]1[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CCN1Cc1ccccc1 ZINC000924645519 1323090686 /nfs/dbraw/zinc/09/06/86/1323090686.db2.gz KRMCIQGOKAHMCM-FXAWDEMLSA-N 2 2 338.499 3.015 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000924654087 1323095511 /nfs/dbraw/zinc/09/55/11/1323095511.db2.gz OUXCNQQWSWSAFS-NRFANRHFSA-N 2 2 341.499 3.346 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1cc(C)cc(C)c1 ZINC000924654087 1323095519 /nfs/dbraw/zinc/09/55/19/1323095519.db2.gz OUXCNQQWSWSAFS-NRFANRHFSA-N 2 2 341.499 3.346 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c2ncnn21 ZINC000924677598 1323108357 /nfs/dbraw/zinc/10/83/57/1323108357.db2.gz ZKHFSVBLNLTSAM-QFBILLFUSA-N 2 2 339.487 3.306 20 0 EGADLP c1cc(C[NH2+][C@H]2CCOC23CCCCC3)cc(C[NH+]2CCOCC2)c1 ZINC000924706988 1323124005 /nfs/dbraw/zinc/12/40/05/1323124005.db2.gz RFNYNYKIIQXLRK-FQEVSTJZSA-N 2 2 344.499 3.100 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000924728501 1323135954 /nfs/dbraw/zinc/13/59/54/1323135954.db2.gz GQQBZFYGTMYMFX-QAPCUYQASA-N 2 2 338.459 3.229 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2cnnc2)c1 ZINC000924728503 1323136038 /nfs/dbraw/zinc/13/60/38/1323136038.db2.gz GQQBZFYGTMYMFX-YJBOKZPZSA-N 2 2 338.459 3.229 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000924777488 1323158438 /nfs/dbraw/zinc/15/84/38/1323158438.db2.gz QAOZJSRCQDDVNC-CABCVRRESA-N 2 2 343.471 3.363 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000924777488 1323158444 /nfs/dbraw/zinc/15/84/44/1323158444.db2.gz QAOZJSRCQDDVNC-CABCVRRESA-N 2 2 343.471 3.363 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ncnn21 ZINC000924865310 1323192343 /nfs/dbraw/zinc/19/23/43/1323192343.db2.gz FHWYJWBTZJNNCI-QFBILLFUSA-N 2 2 339.487 3.450 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000924874653 1323195568 /nfs/dbraw/zinc/19/55/68/1323195568.db2.gz SBDYLWLSWBGMQE-HOTGVXAUSA-N 2 2 347.532 3.483 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000924874653 1323195577 /nfs/dbraw/zinc/19/55/77/1323195577.db2.gz SBDYLWLSWBGMQE-HOTGVXAUSA-N 2 2 347.532 3.483 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924911568 1323209545 /nfs/dbraw/zinc/20/95/45/1323209545.db2.gz GOPWKASYBFDQFV-MRXNPFEDSA-N 2 2 343.471 3.493 20 0 EGADLP Clc1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093226 1323278998 /nfs/dbraw/zinc/27/89/98/1323278998.db2.gz GAPWKJPGCRMROV-HNNXBMFYSA-N 2 2 332.879 3.199 20 0 EGADLP Clc1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093226 1323279007 /nfs/dbraw/zinc/27/90/07/1323279007.db2.gz GAPWKJPGCRMROV-HNNXBMFYSA-N 2 2 332.879 3.199 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236703 1324026511 /nfs/dbraw/zinc/02/65/11/1324026511.db2.gz HMLGKSAOKBGSMN-MOPGFXCFSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236703 1324026516 /nfs/dbraw/zinc/02/65/16/1324026516.db2.gz HMLGKSAOKBGSMN-MOPGFXCFSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236703 1324026520 /nfs/dbraw/zinc/02/65/20/1324026520.db2.gz HMLGKSAOKBGSMN-MOPGFXCFSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236703 1324026525 /nfs/dbraw/zinc/02/65/25/1324026525.db2.gz HMLGKSAOKBGSMN-MOPGFXCFSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459350 1324302438 /nfs/dbraw/zinc/30/24/38/1324302438.db2.gz MHMLAZXFOBIIOD-HOTGVXAUSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459350 1324302440 /nfs/dbraw/zinc/30/24/40/1324302440.db2.gz MHMLAZXFOBIIOD-HOTGVXAUSA-N 2 2 342.487 3.439 20 0 EGADLP FC(F)(F)c1ccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925498907 1325179544 /nfs/dbraw/zinc/17/95/44/1325179544.db2.gz TUCGLPKYPIHAHG-GOEBONIOSA-N 2 2 339.405 3.158 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925557908 1325208321 /nfs/dbraw/zinc/20/83/21/1325208321.db2.gz QJXHFBAJPQHBGS-ZLGUVYLKSA-N 2 2 340.467 3.029 20 0 EGADLP Fc1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)ccc1Oc1cccnc1 ZINC000925570678 1325215639 /nfs/dbraw/zinc/21/56/39/1325215639.db2.gz XHCLWMIAEJJLEW-GDNCQQSUSA-N 2 2 339.414 3.099 20 0 EGADLP C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1cccc(C[NH+](C)C)c1 ZINC000925734887 1325274522 /nfs/dbraw/zinc/27/45/22/1325274522.db2.gz CMYLKLIQODHUJW-MRXNPFEDSA-N 2 2 340.471 3.153 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(Cl)c1 ZINC000925794454 1325305183 /nfs/dbraw/zinc/30/51/83/1325305183.db2.gz LNMQYHXNZQQXTQ-TZMCWYRMSA-N 2 2 326.843 3.288 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796935 1325305677 /nfs/dbraw/zinc/30/56/77/1325305677.db2.gz NEVGBPBIUDIPGD-SPYBWZPUSA-N 2 2 332.463 3.197 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000925798252 1325305779 /nfs/dbraw/zinc/30/57/79/1325305779.db2.gz VQMYFBBDAQHKJW-JXFKEZNVSA-N 2 2 328.500 3.375 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925797072 1325306622 /nfs/dbraw/zinc/30/66/22/1325306622.db2.gz NXNAIDYCQCHKOC-UKRRQHHQSA-N 2 2 337.533 3.384 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1cnnn1-c1ccccc1)[NH+]1CCCCC1 ZINC000926147157 1325447875 /nfs/dbraw/zinc/44/78/75/1325447875.db2.gz YNIKNSAMDINCAW-IAGOWNOFSA-N 2 2 327.476 3.182 20 0 EGADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857153313 1325582784 /nfs/dbraw/zinc/58/27/84/1325582784.db2.gz WYCSQIZOZSHOCK-LJQANCHMSA-N 2 2 348.450 3.074 20 0 EGADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857153313 1325582794 /nfs/dbraw/zinc/58/27/94/1325582794.db2.gz WYCSQIZOZSHOCK-LJQANCHMSA-N 2 2 348.450 3.074 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436271 1327677836 /nfs/dbraw/zinc/67/78/36/1327677836.db2.gz TVACHJIBJWRAAP-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436271 1327677846 /nfs/dbraw/zinc/67/78/46/1327677846.db2.gz TVACHJIBJWRAAP-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436271 1327677857 /nfs/dbraw/zinc/67/78/57/1327677857.db2.gz TVACHJIBJWRAAP-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436271 1327677865 /nfs/dbraw/zinc/67/78/65/1327677865.db2.gz TVACHJIBJWRAAP-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462374 1327709684 /nfs/dbraw/zinc/70/96/84/1327709684.db2.gz FBJSWRKCCAIVQM-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462374 1327709689 /nfs/dbraw/zinc/70/96/89/1327709689.db2.gz FBJSWRKCCAIVQM-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000926778789 1327713494 /nfs/dbraw/zinc/71/34/94/1327713494.db2.gz SCEJKQMDWNFKBF-YQQAZPJKSA-N 2 2 329.444 3.102 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000926778789 1327713498 /nfs/dbraw/zinc/71/34/98/1327713498.db2.gz SCEJKQMDWNFKBF-YQQAZPJKSA-N 2 2 329.444 3.102 20 0 EGADLP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001027515248 1327786459 /nfs/dbraw/zinc/78/64/59/1327786459.db2.gz XZKKGWIAXGZNPB-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001027515248 1327786464 /nfs/dbraw/zinc/78/64/64/1327786464.db2.gz XZKKGWIAXGZNPB-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059319 1327834519 /nfs/dbraw/zinc/83/45/19/1327834519.db2.gz DIRZASILMBFKTH-FFZOFVMBSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059319 1327834532 /nfs/dbraw/zinc/83/45/32/1327834532.db2.gz DIRZASILMBFKTH-FFZOFVMBSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610385 1327974568 /nfs/dbraw/zinc/97/45/68/1327974568.db2.gz KTSNNPZCCIKXBY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610385 1327974582 /nfs/dbraw/zinc/97/45/82/1327974582.db2.gz KTSNNPZCCIKXBY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610385 1327974590 /nfs/dbraw/zinc/97/45/90/1327974590.db2.gz KTSNNPZCCIKXBY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610385 1327974599 /nfs/dbraw/zinc/97/45/99/1327974599.db2.gz KTSNNPZCCIKXBY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)C[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)n1cc[nH+]c1 ZINC000928004924 1328167733 /nfs/dbraw/zinc/16/77/33/1328167733.db2.gz JBYZANYDYUBZNI-FDYSRKEFSA-N 2 2 346.519 3.384 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108821 1328188873 /nfs/dbraw/zinc/18/88/73/1328188873.db2.gz YIPJOZWRUYIVQC-QAPCUYQASA-N 2 2 340.471 3.049 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108821 1328188876 /nfs/dbraw/zinc/18/88/76/1328188876.db2.gz YIPJOZWRUYIVQC-QAPCUYQASA-N 2 2 340.471 3.049 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052654 1328517182 /nfs/dbraw/zinc/51/71/82/1328517182.db2.gz BHDXNWQETABDDZ-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052654 1328517188 /nfs/dbraw/zinc/51/71/88/1328517188.db2.gz BHDXNWQETABDDZ-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP CC[NH+](CC)CCOC(=O)c1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000862360377 1329478042 /nfs/dbraw/zinc/47/80/42/1329478042.db2.gz IEJDXGHZGVCCCH-UHFFFAOYSA-N 2 2 344.459 3.137 20 0 EGADLP c1ccc(CNc2cc(N3CC[C@@H]([NH+]4CCCCC4)C3)nc[nH+]2)cc1 ZINC000865526058 1329709203 /nfs/dbraw/zinc/70/92/03/1329709203.db2.gz KFFHBICZFUBJPG-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486027 1331944563 /nfs/dbraw/zinc/94/45/63/1331944563.db2.gz LABKGQOXEYQMSZ-RDJZCZTQSA-N 2 2 342.487 3.211 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000942486027 1331944565 /nfs/dbraw/zinc/94/45/65/1331944565.db2.gz LABKGQOXEYQMSZ-RDJZCZTQSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449926 1333132655 /nfs/dbraw/zinc/13/26/55/1333132655.db2.gz LMAWYTMYGRZHFA-ZBFHGGJFSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449926 1333132657 /nfs/dbraw/zinc/13/26/57/1333132657.db2.gz LMAWYTMYGRZHFA-ZBFHGGJFSA-N 2 2 328.460 3.192 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947571460 1333176442 /nfs/dbraw/zinc/17/64/42/1333176442.db2.gz FILNMMXKTPLMPO-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947571460 1333176445 /nfs/dbraw/zinc/17/64/45/1333176445.db2.gz FILNMMXKTPLMPO-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCC1CCCCCC1 ZINC000948090751 1333372217 /nfs/dbraw/zinc/37/22/17/1333372217.db2.gz NTKPLURSNTYPHC-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCC1CCCCCC1 ZINC000948090751 1333372220 /nfs/dbraw/zinc/37/22/20/1333372220.db2.gz NTKPLURSNTYPHC-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948456147 1333533346 /nfs/dbraw/zinc/53/33/46/1333533346.db2.gz ICPPCSNDZJWYDZ-RCCFBDPRSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948456147 1333533347 /nfs/dbraw/zinc/53/33/47/1333533347.db2.gz ICPPCSNDZJWYDZ-RCCFBDPRSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948456147 1333533349 /nfs/dbraw/zinc/53/33/49/1333533349.db2.gz ICPPCSNDZJWYDZ-RCCFBDPRSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948456147 1333533351 /nfs/dbraw/zinc/53/33/51/1333533351.db2.gz ICPPCSNDZJWYDZ-RCCFBDPRSA-N 2 2 346.519 3.262 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474220 1333540052 /nfs/dbraw/zinc/54/00/52/1333540052.db2.gz RGKWXPAKBAMTOB-WMZOPIPTSA-N 2 2 348.535 3.286 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474220 1333540054 /nfs/dbraw/zinc/54/00/54/1333540054.db2.gz RGKWXPAKBAMTOB-WMZOPIPTSA-N 2 2 348.535 3.286 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552975 1333571865 /nfs/dbraw/zinc/57/18/65/1333571865.db2.gz CVZWTFZRWDTINS-JKSUJKDBSA-N 2 2 346.450 3.238 20 0 EGADLP CC[C@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552975 1333571867 /nfs/dbraw/zinc/57/18/67/1333571867.db2.gz CVZWTFZRWDTINS-JKSUJKDBSA-N 2 2 346.450 3.238 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205318520 1370719779 /nfs/dbraw/zinc/71/97/79/1370719779.db2.gz VPULGRSIZDPWFG-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC001205318520 1370719784 /nfs/dbraw/zinc/71/97/84/1370719784.db2.gz VPULGRSIZDPWFG-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP CCC(CC)C[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969676090 1336236130 /nfs/dbraw/zinc/23/61/30/1336236130.db2.gz XAUWPWHTCZXOQM-HNNXBMFYSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC[NH+](CCC(C)(C)C)CC2)c[nH+]1 ZINC001005578826 1336374617 /nfs/dbraw/zinc/37/46/17/1336374617.db2.gz HTBFGPGYFYJVPT-UHFFFAOYSA-N 2 2 348.535 3.286 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](Cc2ccsc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642146 1336682103 /nfs/dbraw/zinc/68/21/03/1336682103.db2.gz RNMKNMGWNWPEEE-HNNXBMFYSA-N 2 2 340.452 3.019 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccsc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642146 1336682105 /nfs/dbraw/zinc/68/21/05/1336682105.db2.gz RNMKNMGWNWPEEE-HNNXBMFYSA-N 2 2 340.452 3.019 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC23CC[NH+](CC(C)C)CC3)c(C)[nH+]1 ZINC001016742954 1338709205 /nfs/dbraw/zinc/70/92/05/1338709205.db2.gz NEOUTPKYNXHPNJ-KRWDZBQOSA-N 2 2 329.488 3.247 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+][C@@H](C)c4ccccc4)C3)ccn12 ZINC001018848703 1339737729 /nfs/dbraw/zinc/73/77/29/1339737729.db2.gz IQWKPZDKSYFVSY-LPHOPBHVSA-N 2 2 348.450 3.208 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632654 1340736057 /nfs/dbraw/zinc/73/60/57/1340736057.db2.gz OUCOMERIJSVCQP-JKSUJKDBSA-N 2 2 348.450 3.376 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632654 1340736058 /nfs/dbraw/zinc/73/60/58/1340736058.db2.gz OUCOMERIJSVCQP-JKSUJKDBSA-N 2 2 348.450 3.376 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001029360117 1340977197 /nfs/dbraw/zinc/97/71/97/1340977197.db2.gz UTWNHZVSICVJNG-HDICACEKSA-N 2 2 346.434 3.052 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001029360117 1340977199 /nfs/dbraw/zinc/97/71/99/1340977199.db2.gz UTWNHZVSICVJNG-HDICACEKSA-N 2 2 346.434 3.052 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC001030011648 1341157305 /nfs/dbraw/zinc/15/73/05/1341157305.db2.gz AUAQBSWVNLDQAE-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001030011648 1341157306 /nfs/dbraw/zinc/15/73/06/1341157306.db2.gz AUAQBSWVNLDQAE-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001030527843 1341194358 /nfs/dbraw/zinc/19/43/58/1341194358.db2.gz WVKONCMZKFQKKR-LJQANCHMSA-N 2 2 334.423 3.128 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001031034827 1341267920 /nfs/dbraw/zinc/26/79/20/1341267920.db2.gz GCDPHZPRGOWPDL-SJORKVTESA-N 2 2 346.519 3.023 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829822 1341628646 /nfs/dbraw/zinc/62/86/46/1341628646.db2.gz FOJXOKMIUUOENF-MPGHIAIKSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829822 1341628647 /nfs/dbraw/zinc/62/86/47/1341628647.db2.gz FOJXOKMIUUOENF-MPGHIAIKSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829822 1341628648 /nfs/dbraw/zinc/62/86/48/1341628648.db2.gz FOJXOKMIUUOENF-MPGHIAIKSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829822 1341628649 /nfs/dbraw/zinc/62/86/49/1341628649.db2.gz FOJXOKMIUUOENF-MPGHIAIKSA-N 2 2 349.906 3.076 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391567 1342461781 /nfs/dbraw/zinc/46/17/81/1342461781.db2.gz MZORRLSKEFMYSZ-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391567 1342461783 /nfs/dbraw/zinc/46/17/83/1342461783.db2.gz MZORRLSKEFMYSZ-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181336 1342996577 /nfs/dbraw/zinc/99/65/77/1342996577.db2.gz VOCYONGOSPJTJM-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001035181336 1342996582 /nfs/dbraw/zinc/99/65/82/1342996582.db2.gz VOCYONGOSPJTJM-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001036449401 1343494233 /nfs/dbraw/zinc/49/42/33/1343494233.db2.gz FYUNRNAUHNSUGY-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001036452699 1343495403 /nfs/dbraw/zinc/49/54/03/1343495403.db2.gz ADABCFGJZIYHAU-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001036473832 1343504639 /nfs/dbraw/zinc/50/46/39/1343504639.db2.gz VOPGJBAGBZYGME-DOTOQJQBSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037247016 1344066923 /nfs/dbraw/zinc/06/69/23/1344066923.db2.gz ZUNYCPQXKSVUER-QZTJIDSGSA-N 2 2 346.519 3.187 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037830464 1344123865 /nfs/dbraw/zinc/12/38/65/1344123865.db2.gz VEKXXUMNAVXEMG-QZTJIDSGSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CC(C)C ZINC001037886264 1344161484 /nfs/dbraw/zinc/16/14/84/1344161484.db2.gz XHSGSFWCBUNKAK-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1[NH2+]C(C)C ZINC001037901277 1344167657 /nfs/dbraw/zinc/16/76/57/1344167657.db2.gz QOAGCWDCVMDVOB-VQIMIIECSA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037911093 1344173728 /nfs/dbraw/zinc/17/37/28/1344173728.db2.gz YVXFEHSQHWZFNH-MOPGFXCFSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001037923471 1344183230 /nfs/dbraw/zinc/18/32/30/1344183230.db2.gz BEUAWOLGISITSS-HKUYNNGSSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+]3[C@@H](C)c3ccccc3)ccn12 ZINC001038255989 1344346773 /nfs/dbraw/zinc/34/67/73/1344346773.db2.gz WTZGXSFFTUTWTC-QFBILLFUSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+]3[C@@H](C)c3ccccc3)ccn12 ZINC001038255989 1344346778 /nfs/dbraw/zinc/34/67/78/1344346778.db2.gz WTZGXSFFTUTWTC-QFBILLFUSA-N 2 2 348.450 3.208 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccsc1 ZINC001038910555 1344647072 /nfs/dbraw/zinc/64/70/72/1344647072.db2.gz WFOGSTKCGZZKGV-MSOLQXFVSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccsc1 ZINC001038910555 1344647077 /nfs/dbraw/zinc/64/70/77/1344647077.db2.gz WFOGSTKCGZZKGV-MSOLQXFVSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001038910555 1344647082 /nfs/dbraw/zinc/64/70/82/1344647082.db2.gz WFOGSTKCGZZKGV-MSOLQXFVSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001038910555 1344647087 /nfs/dbraw/zinc/64/70/87/1344647087.db2.gz WFOGSTKCGZZKGV-MSOLQXFVSA-N 2 2 349.544 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236810 1344958662 /nfs/dbraw/zinc/95/86/62/1344958662.db2.gz CUTIFAJZCMRXKE-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236810 1344958664 /nfs/dbraw/zinc/95/86/64/1344958664.db2.gz CUTIFAJZCMRXKE-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039277627 1344993891 /nfs/dbraw/zinc/99/38/91/1344993891.db2.gz VPIHNRFOSYRKGG-AYHJJNSGSA-N 2 2 340.471 3.168 20 0 EGADLP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293711 1345417658 /nfs/dbraw/zinc/41/76/58/1345417658.db2.gz ZMZBFJXHAJVQAX-HXUWFJFHSA-N 2 2 340.471 3.063 20 0 EGADLP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001040293711 1345417660 /nfs/dbraw/zinc/41/76/60/1345417660.db2.gz ZMZBFJXHAJVQAX-HXUWFJFHSA-N 2 2 340.471 3.063 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001044337075 1346301528 /nfs/dbraw/zinc/30/15/28/1346301528.db2.gz CEBJBYIVRRKYKR-XLIONFOSSA-N 2 2 343.515 3.073 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001044337075 1346301529 /nfs/dbraw/zinc/30/15/29/1346301529.db2.gz CEBJBYIVRRKYKR-XLIONFOSSA-N 2 2 343.515 3.073 20 0 EGADLP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001045273732 1346545522 /nfs/dbraw/zinc/54/55/22/1346545522.db2.gz SQJPGPMTPOHJNU-JCYILVPMSA-N 2 2 346.519 3.094 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554002 1347906619 /nfs/dbraw/zinc/90/66/19/1347906619.db2.gz YSUXSBABCMAKON-GDIGMMSISA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554002 1347906621 /nfs/dbraw/zinc/90/66/21/1347906621.db2.gz YSUXSBABCMAKON-GDIGMMSISA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849691 1348057740 /nfs/dbraw/zinc/05/77/40/1348057740.db2.gz PNLRYNYSIDKPEO-CVEARBPZSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001049849691 1348057743 /nfs/dbraw/zinc/05/77/43/1348057743.db2.gz PNLRYNYSIDKPEO-CVEARBPZSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@H+](CC4CCC4)CC3)ccn12 ZINC001052378526 1348535948 /nfs/dbraw/zinc/53/59/48/1348535948.db2.gz IUOMNIICQCRHSL-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@@H+](CC4CCC4)CC3)ccn12 ZINC001052378526 1348535952 /nfs/dbraw/zinc/53/59/52/1348535952.db2.gz IUOMNIICQCRHSL-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269964 1349269039 /nfs/dbraw/zinc/26/90/39/1349269039.db2.gz XBVQBEKGARPFHI-UHFFFAOYSA-N 2 2 348.450 3.465 20 0 EGADLP CC(C)C[N@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269964 1349269043 /nfs/dbraw/zinc/26/90/43/1349269043.db2.gz XBVQBEKGARPFHI-UHFFFAOYSA-N 2 2 348.450 3.465 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054719913 1349446826 /nfs/dbraw/zinc/44/68/26/1349446826.db2.gz KCNZCCUWZWKCKK-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054719913 1349446827 /nfs/dbraw/zinc/44/68/27/1349446827.db2.gz KCNZCCUWZWKCKK-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](C)[N@H+](CCC(C)C)C3)ccn12 ZINC001071511133 1354735711 /nfs/dbraw/zinc/73/57/11/1354735711.db2.gz JOPAAVHAUVVIMB-QAPCUYQASA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](C)[N@@H+](CCC(C)C)C3)ccn12 ZINC001071511133 1354735712 /nfs/dbraw/zinc/73/57/12/1354735712.db2.gz JOPAAVHAUVVIMB-QAPCUYQASA-N 2 2 342.487 3.272 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCC1CCCCCC1 ZINC001072124326 1355141954 /nfs/dbraw/zinc/14/19/54/1355141954.db2.gz YZCSJZQMSHIAHM-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCC1CCCCCC1 ZINC001072124326 1355141956 /nfs/dbraw/zinc/14/19/56/1355141956.db2.gz YZCSJZQMSHIAHM-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001072323148 1355237357 /nfs/dbraw/zinc/23/73/57/1355237357.db2.gz TVWZCWXXPZAKHW-UGSOOPFHSA-N 2 2 329.488 3.105 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074026389 1356040809 /nfs/dbraw/zinc/04/08/09/1356040809.db2.gz YZQADUZMAXEPCH-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074026389 1356040810 /nfs/dbraw/zinc/04/08/10/1356040810.db2.gz YZQADUZMAXEPCH-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074026389 1356040811 /nfs/dbraw/zinc/04/08/11/1356040811.db2.gz YZQADUZMAXEPCH-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074026389 1356040812 /nfs/dbraw/zinc/04/08/12/1356040812.db2.gz YZQADUZMAXEPCH-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001183271777 1387289110 /nfs/dbraw/zinc/28/91/10/1387289110.db2.gz QULHAAUZNGLNHD-JXXFODFXSA-N 2 2 348.535 3.017 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001183271780 1387289144 /nfs/dbraw/zinc/28/91/44/1387289144.db2.gz QULHAAUZNGLNHD-RZQQEMMASA-N 2 2 348.535 3.017 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C)c1ccccc1 ZINC001082640660 1358068222 /nfs/dbraw/zinc/06/82/22/1358068222.db2.gz MVTOZVKMGOQZFT-JFIYKMOQSA-N 2 2 348.450 3.146 20 0 EGADLP C[C@H]1CC2(CN1C(=O)Cn1cc[nH+]c1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086959661 1359279804 /nfs/dbraw/zinc/27/98/04/1359279804.db2.gz OCSAOPKOLDUKIW-KRWDZBQOSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087196202 1359317219 /nfs/dbraw/zinc/31/72/19/1359317219.db2.gz CBJRXVRZHDWEDN-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001087240515 1359328414 /nfs/dbraw/zinc/32/84/14/1359328414.db2.gz GISOIZCIUACLEL-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001088345934 1359833182 /nfs/dbraw/zinc/83/31/82/1359833182.db2.gz BLJMISOZXMUWAW-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP C[C@H](CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001088391913 1359869139 /nfs/dbraw/zinc/86/91/39/1359869139.db2.gz XQCTYEPSXKXMMJ-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089539964 1360497457 /nfs/dbraw/zinc/49/74/57/1360497457.db2.gz PZCAVWAQVYNYGY-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089539964 1360497461 /nfs/dbraw/zinc/49/74/61/1360497461.db2.gz PZCAVWAQVYNYGY-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184650948 1387503121 /nfs/dbraw/zinc/50/31/21/1387503121.db2.gz BGYIQDFAJQGBRU-HOTGVXAUSA-N 2 2 342.487 3.441 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184800553 1387543154 /nfs/dbraw/zinc/54/31/54/1387543154.db2.gz XBZGTBGBHSBKRR-SJORKVTESA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099166516 1363666095 /nfs/dbraw/zinc/66/60/95/1363666095.db2.gz WKQAPYWHDNSDDR-SFHVURJKSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099166516 1363666098 /nfs/dbraw/zinc/66/60/98/1363666098.db2.gz WKQAPYWHDNSDDR-SFHVURJKSA-N 2 2 348.535 3.316 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)[N@H+](CC2CCCCC2)C1 ZINC001099360567 1363773375 /nfs/dbraw/zinc/77/33/75/1363773375.db2.gz YQAITTFDRHMDMT-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CC2CCCCC2)C1 ZINC001099360567 1363773377 /nfs/dbraw/zinc/77/33/77/1363773377.db2.gz YQAITTFDRHMDMT-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100715580 1364232750 /nfs/dbraw/zinc/23/27/50/1364232750.db2.gz RUKMJGAZPREUBN-AJPNGHKPSA-N 2 2 332.492 3.065 20 0 EGADLP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001101579602 1364632065 /nfs/dbraw/zinc/63/20/65/1364632065.db2.gz NTGVWWXCCATBEU-MRXNPFEDSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598588 1364649114 /nfs/dbraw/zinc/64/91/14/1364649114.db2.gz WVJYJDBYYCCGPP-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC001102083787 1364845824 /nfs/dbraw/zinc/84/58/24/1364845824.db2.gz RPMORVRQPNOQIB-NVXWUHKLSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC001102083787 1364845826 /nfs/dbraw/zinc/84/58/26/1364845826.db2.gz RPMORVRQPNOQIB-NVXWUHKLSA-N 2 2 348.535 3.047 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413896 1365044455 /nfs/dbraw/zinc/04/44/55/1365044455.db2.gz UYTRCMZNJHJGCV-ZIFCJYIRSA-N 2 2 344.503 3.019 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413896 1365044456 /nfs/dbraw/zinc/04/44/56/1365044456.db2.gz UYTRCMZNJHJGCV-ZIFCJYIRSA-N 2 2 344.503 3.019 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001103253649 1365458738 /nfs/dbraw/zinc/45/87/38/1365458738.db2.gz GBLFQBRIZLVNHI-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001103253649 1365458740 /nfs/dbraw/zinc/45/87/40/1365458740.db2.gz GBLFQBRIZLVNHI-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517317 1365608112 /nfs/dbraw/zinc/60/81/12/1365608112.db2.gz ISJBKNZCCPVJQW-YSEKLJNJSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517317 1365608116 /nfs/dbraw/zinc/60/81/16/1365608116.db2.gz ISJBKNZCCPVJQW-YSEKLJNJSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517317 1365608120 /nfs/dbraw/zinc/60/81/20/1365608120.db2.gz ISJBKNZCCPVJQW-YSEKLJNJSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517317 1365608123 /nfs/dbraw/zinc/60/81/23/1365608123.db2.gz ISJBKNZCCPVJQW-YSEKLJNJSA-N 2 2 346.519 3.019 20 0 EGADLP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345911 1365982674 /nfs/dbraw/zinc/98/26/74/1365982674.db2.gz ZWEYTXRSWTZPAM-LZLYRXPVSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001104435791 1366028140 /nfs/dbraw/zinc/02/81/40/1366028140.db2.gz GJZFRUKGGSXZMA-CTOCQWKHSA-N 2 2 349.906 3.447 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185787338 1387799165 /nfs/dbraw/zinc/79/91/65/1387799165.db2.gz FKILTUHQMOGVAO-DHJFXDNESA-N 2 2 346.519 3.094 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001324898121 1387810713 /nfs/dbraw/zinc/81/07/13/1387810713.db2.gz WNYJNNQAZQALAM-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455246 1366700992 /nfs/dbraw/zinc/70/09/92/1366700992.db2.gz IFVRBNJVGQIQEL-CRAIPNDOSA-N 2 2 331.504 3.495 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433132 1366962181 /nfs/dbraw/zinc/96/21/81/1366962181.db2.gz PDEUYTRCGNXRNM-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107433132 1366962183 /nfs/dbraw/zinc/96/21/83/1366962183.db2.gz PDEUYTRCGNXRNM-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433132 1366962186 /nfs/dbraw/zinc/96/21/86/1366962186.db2.gz PDEUYTRCGNXRNM-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107433132 1366962188 /nfs/dbraw/zinc/96/21/88/1366962188.db2.gz PDEUYTRCGNXRNM-UYAOXDASSA-N 2 2 346.519 3.139 20 0 EGADLP C[NH+](C)CCc1ccc(NC(=O)c2ccccc2-n2cc[nH+]c2)cc1 ZINC001190099418 1367173063 /nfs/dbraw/zinc/17/30/63/1367173063.db2.gz IUHSRKMYRGTAPO-UHFFFAOYSA-N 2 2 334.423 3.229 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772618 1367314831 /nfs/dbraw/zinc/31/48/31/1367314831.db2.gz PVBUITUIKOAOQN-HRULKVOTSA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772618 1367314837 /nfs/dbraw/zinc/31/48/37/1367314837.db2.gz PVBUITUIKOAOQN-HRULKVOTSA-N 2 2 344.503 3.302 20 0 EGADLP C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933014 1367385220 /nfs/dbraw/zinc/38/52/20/1367385220.db2.gz FALXGOPJPDDDQG-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933014 1367385227 /nfs/dbraw/zinc/38/52/27/1367385227.db2.gz FALXGOPJPDDDQG-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934584 1367385299 /nfs/dbraw/zinc/38/52/99/1367385299.db2.gz PKYMKAHPLSAWAM-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934584 1367385303 /nfs/dbraw/zinc/38/53/03/1367385303.db2.gz PKYMKAHPLSAWAM-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318799 1367475647 /nfs/dbraw/zinc/47/56/47/1367475647.db2.gz FKFWUFQNCWOANL-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318799 1367475648 /nfs/dbraw/zinc/47/56/48/1367475648.db2.gz FKFWUFQNCWOANL-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001108711536 1367549094 /nfs/dbraw/zinc/54/90/94/1367549094.db2.gz LHAUHNFVXSFPRX-KSZLIROESA-N 2 2 346.519 3.086 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197283478 1368779620 /nfs/dbraw/zinc/77/96/20/1368779620.db2.gz NMOOHUFDTNLKCV-QWNKOJSDSA-N 2 2 332.492 3.115 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197283478 1368779621 /nfs/dbraw/zinc/77/96/21/1368779621.db2.gz NMOOHUFDTNLKCV-QWNKOJSDSA-N 2 2 332.492 3.115 20 0 EGADLP CC(C)(C)CCC[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113016139 1369138694 /nfs/dbraw/zinc/13/86/94/1369138694.db2.gz VWYPEOBCJOKXAG-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)cc1 ZINC001113340844 1369358932 /nfs/dbraw/zinc/35/89/32/1369358932.db2.gz BSEBIIFTQHAGMI-HXUWFJFHSA-N 2 2 345.531 3.014 20 0 EGADLP CCCCCC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571516 1369391609 /nfs/dbraw/zinc/39/16/09/1369391609.db2.gz YGZLXXWMBCZDKR-UHFFFAOYSA-N 2 2 342.487 3.417 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001201182588 1369491252 /nfs/dbraw/zinc/49/12/52/1369491252.db2.gz JELLMNIOKQTJFF-LJQANCHMSA-N 2 2 346.519 3.241 20 0 EGADLP c1ccc(N2CCOC3(CC[NH+](CC4CCCCC4)CC3)C2)[nH+]c1 ZINC001201393465 1369535579 /nfs/dbraw/zinc/53/55/79/1369535579.db2.gz KGMFHHPFPBBDCC-UHFFFAOYSA-N 2 2 329.488 3.333 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684223 1369564108 /nfs/dbraw/zinc/56/41/08/1369564108.db2.gz UMJYVHDPUIKEFG-HCZHMGAMSA-N 2 2 343.515 3.180 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001202083654 1369683766 /nfs/dbraw/zinc/68/37/66/1369683766.db2.gz HTXQHYIFLRBKPC-IAGOWNOFSA-N 2 2 349.862 3.009 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203033830 1369961872 /nfs/dbraw/zinc/96/18/72/1369961872.db2.gz FBFLGJMBIRSJOB-NRFANRHFSA-N 2 2 328.500 3.251 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203033830 1369961875 /nfs/dbraw/zinc/96/18/75/1369961875.db2.gz FBFLGJMBIRSJOB-NRFANRHFSA-N 2 2 328.500 3.251 20 0 EGADLP CCc1[nH]c(CN(C)C2CC[NH+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC001203235877 1370034571 /nfs/dbraw/zinc/03/45/71/1370034571.db2.gz AGLJBHZZVWHAHK-UHFFFAOYSA-N 2 2 326.488 3.377 20 0 EGADLP CCc1[nH]c(CN(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203246335 1370038278 /nfs/dbraw/zinc/03/82/78/1370038278.db2.gz FONMYPDKWOMDPW-GOSISDBHSA-N 2 2 326.488 3.377 20 0 EGADLP CCc1[nH]c(CN(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203246335 1370038282 /nfs/dbraw/zinc/03/82/82/1370038282.db2.gz FONMYPDKWOMDPW-GOSISDBHSA-N 2 2 326.488 3.377 20 0 EGADLP CC[NH+](CC)CCn1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC001203252827 1370042425 /nfs/dbraw/zinc/04/24/25/1370042425.db2.gz DWLZIMDSZWQAAT-UHFFFAOYSA-N 2 2 342.491 3.354 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001203926899 1370316872 /nfs/dbraw/zinc/31/68/72/1370316872.db2.gz CQZCYZIPNUOXKU-UHFFFAOYSA-N 2 2 333.451 3.043 20 0 EGADLP CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001203930400 1370317830 /nfs/dbraw/zinc/31/78/30/1370317830.db2.gz XXVUOBGYHVWINH-UHFFFAOYSA-N 2 2 334.423 3.463 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001203930400 1370317837 /nfs/dbraw/zinc/31/78/37/1370317837.db2.gz XXVUOBGYHVWINH-UHFFFAOYSA-N 2 2 334.423 3.463 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203961083 1370332878 /nfs/dbraw/zinc/33/28/78/1370332878.db2.gz AHQHLEABTRNISY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203961083 1370332881 /nfs/dbraw/zinc/33/28/81/1370332881.db2.gz AHQHLEABTRNISY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001203961083 1370332887 /nfs/dbraw/zinc/33/28/87/1370332887.db2.gz AHQHLEABTRNISY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001203961083 1370332893 /nfs/dbraw/zinc/33/28/93/1370332893.db2.gz AHQHLEABTRNISY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP Cc1[nH+]c2ccccn2c1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204333396 1370446166 /nfs/dbraw/zinc/44/61/66/1370446166.db2.gz LYGSCOJNBUCPAD-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2Cl)o1 ZINC001204738280 1370560215 /nfs/dbraw/zinc/56/02/15/1370560215.db2.gz AHBWRSZKMXNKJZ-UHFFFAOYSA-N 2 2 347.890 3.279 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2Cl)o1 ZINC001204738280 1370560217 /nfs/dbraw/zinc/56/02/17/1370560217.db2.gz AHBWRSZKMXNKJZ-UHFFFAOYSA-N 2 2 347.890 3.279 20 0 EGADLP CC1(C)CC(C[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CCCCC2)C1 ZINC001115655806 1370641950 /nfs/dbraw/zinc/64/19/50/1370641950.db2.gz KXXJCCFMBRMYGC-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115765760 1370749931 /nfs/dbraw/zinc/74/99/31/1370749931.db2.gz DWQVFSIKMPAVPK-AQFXKWCLSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1 ZINC001115765760 1370749933 /nfs/dbraw/zinc/74/99/33/1370749933.db2.gz DWQVFSIKMPAVPK-AQFXKWCLSA-N 2 2 346.519 3.043 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765989 1370751089 /nfs/dbraw/zinc/75/10/89/1370751089.db2.gz OYGVZNAJZJNJCW-HOTGVXAUSA-N 2 2 334.508 3.043 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765989 1370751093 /nfs/dbraw/zinc/75/10/93/1370751093.db2.gz OYGVZNAJZJNJCW-HOTGVXAUSA-N 2 2 334.508 3.043 20 0 EGADLP CC(C)(C)CC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521787 1370780072 /nfs/dbraw/zinc/78/00/72/1370780072.db2.gz HYFNXSYGIHKWJG-UHFFFAOYSA-N 2 2 342.487 3.441 20 0 EGADLP CCc1cccc2cc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)c(Cl)nc21 ZINC001205673453 1370837779 /nfs/dbraw/zinc/83/77/79/1370837779.db2.gz QVURBENGCXQVGV-LJQANCHMSA-N 2 2 347.890 3.126 20 0 EGADLP CCc1cccc2cc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c(Cl)nc21 ZINC001205673453 1370837782 /nfs/dbraw/zinc/83/77/82/1370837782.db2.gz QVURBENGCXQVGV-LJQANCHMSA-N 2 2 347.890 3.126 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnoc3)C[C@@H]21 ZINC001205689915 1370843797 /nfs/dbraw/zinc/84/37/97/1370843797.db2.gz QBPXICYQIQLXNA-RYQLBKOJSA-N 2 2 331.485 3.469 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnoc3)C[C@@H]21 ZINC001205689915 1370843800 /nfs/dbraw/zinc/84/38/00/1370843800.db2.gz QBPXICYQIQLXNA-RYQLBKOJSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnoc3)C[C@@H]21 ZINC001205689915 1370843802 /nfs/dbraw/zinc/84/38/02/1370843802.db2.gz QBPXICYQIQLXNA-RYQLBKOJSA-N 2 2 331.485 3.469 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnoc3)C[C@@H]21 ZINC001205689915 1370843805 /nfs/dbraw/zinc/84/38/05/1370843805.db2.gz QBPXICYQIQLXNA-RYQLBKOJSA-N 2 2 331.485 3.469 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001205728236 1370853553 /nfs/dbraw/zinc/85/35/53/1370853553.db2.gz IXQYDISQXOAMIT-GJZGRUSLSA-N 2 2 329.529 3.246 20 0 EGADLP Cc1nc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)s1 ZINC001206150820 1370973381 /nfs/dbraw/zinc/97/33/81/1370973381.db2.gz CJFCLTARUUOGLX-HUUCEWRRSA-N 2 2 333.526 3.385 20 0 EGADLP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238223 1371000697 /nfs/dbraw/zinc/00/06/97/1371000697.db2.gz JOVIKSCTZLAJGJ-REMYHPOOSA-N 2 2 344.503 3.014 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263183 1371007519 /nfs/dbraw/zinc/00/75/19/1371007519.db2.gz PXKWNHPXYISLLI-INIZCTEOSA-N 2 2 334.467 3.494 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001206263183 1371007525 /nfs/dbraw/zinc/00/75/25/1371007525.db2.gz PXKWNHPXYISLLI-INIZCTEOSA-N 2 2 334.467 3.494 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001206269358 1371008977 /nfs/dbraw/zinc/00/89/77/1371008977.db2.gz KNVRYOGRQWPGNA-MRXNPFEDSA-N 2 2 328.431 3.446 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001206269358 1371008979 /nfs/dbraw/zinc/00/89/79/1371008979.db2.gz KNVRYOGRQWPGNA-MRXNPFEDSA-N 2 2 328.431 3.446 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)[NH+](CC)CC)cc1 ZINC001117790632 1371084683 /nfs/dbraw/zinc/08/46/83/1371084683.db2.gz CTTRSDNWGJPMEH-VQIMIIECSA-N 2 2 342.487 3.206 20 0 EGADLP C[N@@H+]1CCc2cc(-c3ccc(C[NH+]4CCOCC4)cc3F)ccc2C1 ZINC001206720126 1371144700 /nfs/dbraw/zinc/14/47/00/1371144700.db2.gz ZQJAHEQPRNQTBN-UHFFFAOYSA-N 2 2 340.442 3.313 20 0 EGADLP C[N@H+]1CCc2cc(-c3ccc(C[NH+]4CCOCC4)cc3F)ccc2C1 ZINC001206720126 1371144703 /nfs/dbraw/zinc/14/47/03/1371144703.db2.gz ZQJAHEQPRNQTBN-UHFFFAOYSA-N 2 2 340.442 3.313 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206767913 1371158976 /nfs/dbraw/zinc/15/89/76/1371158976.db2.gz GBXUWAXAFSMFJB-QWHCGFSZSA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206767913 1371158981 /nfs/dbraw/zinc/15/89/81/1371158981.db2.gz GBXUWAXAFSMFJB-QWHCGFSZSA-N 2 2 338.546 3.456 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)cc1F ZINC001206806117 1371174565 /nfs/dbraw/zinc/17/45/65/1371174565.db2.gz FKFDNUPYNRHOML-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(Br)cc1F ZINC001206806117 1371174570 /nfs/dbraw/zinc/17/45/70/1371174570.db2.gz FKFDNUPYNRHOML-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206811899 1371177091 /nfs/dbraw/zinc/17/70/91/1371177091.db2.gz WRTVXHZIPQHDRU-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206811899 1371177094 /nfs/dbraw/zinc/17/70/94/1371177094.db2.gz WRTVXHZIPQHDRU-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC001118575559 1371201289 /nfs/dbraw/zinc/20/12/89/1371201289.db2.gz GTVYANQYOFTFIQ-AWEZNQCLSA-N 2 2 326.469 3.485 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC001118575559 1371201291 /nfs/dbraw/zinc/20/12/91/1371201291.db2.gz GTVYANQYOFTFIQ-AWEZNQCLSA-N 2 2 326.469 3.485 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206969872 1371251746 /nfs/dbraw/zinc/25/17/46/1371251746.db2.gz QNNJRBOTNMFZGV-SNAWJCMRSA-N 2 2 346.519 3.238 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)CCC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207231481 1371335590 /nfs/dbraw/zinc/33/55/90/1371335590.db2.gz IDKWANVCKVVNFH-UHFFFAOYSA-N 2 2 348.491 3.043 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)CCC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207231481 1371335591 /nfs/dbraw/zinc/33/55/91/1371335591.db2.gz IDKWANVCKVVNFH-UHFFFAOYSA-N 2 2 348.491 3.043 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1F)[C@H]2C ZINC001207499729 1371415880 /nfs/dbraw/zinc/41/58/80/1371415880.db2.gz XILWGOJQOWURRW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1F)[C@H]2C ZINC001207499729 1371415883 /nfs/dbraw/zinc/41/58/83/1371415883.db2.gz XILWGOJQOWURRW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccccc1F)[C@H]2C ZINC001207499729 1371415886 /nfs/dbraw/zinc/41/58/86/1371415886.db2.gz XILWGOJQOWURRW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccccc1F)[C@H]2C ZINC001207499729 1371415890 /nfs/dbraw/zinc/41/58/90/1371415890.db2.gz XILWGOJQOWURRW-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](CCc3ccccc3Br)C[C@@H]2C1 ZINC001207534518 1371427100 /nfs/dbraw/zinc/42/71/00/1371427100.db2.gz WHRQYQCGRLVLAE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](CCc3ccccc3Br)C[C@@H]2C1 ZINC001207534518 1371427088 /nfs/dbraw/zinc/42/70/88/1371427088.db2.gz WHRQYQCGRLVLAE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](CCc3ccccc3Br)C[C@@H]2C1 ZINC001207534518 1371427093 /nfs/dbraw/zinc/42/70/93/1371427093.db2.gz WHRQYQCGRLVLAE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](CCc3ccccc3Br)C[C@@H]2C1 ZINC001207534518 1371427097 /nfs/dbraw/zinc/42/70/97/1371427097.db2.gz WHRQYQCGRLVLAE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620977 1371454030 /nfs/dbraw/zinc/45/40/30/1371454030.db2.gz YIAFOSKMWDTYLM-GVDBMIGSSA-N 2 2 328.504 3.096 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001120068771 1371476733 /nfs/dbraw/zinc/47/67/33/1371476733.db2.gz PRBKKTFJOHSZMF-UHFFFAOYSA-N 2 2 334.508 3.106 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207764055 1371497437 /nfs/dbraw/zinc/49/74/37/1371497437.db2.gz XAVTWXXMLPFZLP-KRWDZBQOSA-N 2 2 334.504 3.346 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207764055 1371497440 /nfs/dbraw/zinc/49/74/40/1371497440.db2.gz XAVTWXXMLPFZLP-KRWDZBQOSA-N 2 2 334.504 3.346 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001207764056 1371497740 /nfs/dbraw/zinc/49/77/40/1371497740.db2.gz XAVTWXXMLPFZLP-QGZVFWFLSA-N 2 2 334.504 3.346 20 0 EGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001207764056 1371497745 /nfs/dbraw/zinc/49/77/45/1371497745.db2.gz XAVTWXXMLPFZLP-QGZVFWFLSA-N 2 2 334.504 3.346 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001120467367 1371585884 /nfs/dbraw/zinc/58/58/84/1371585884.db2.gz KQXRVPMBQPMWKY-DUXKGJEZSA-N 2 2 349.478 3.458 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1Cl ZINC001120591253 1371629136 /nfs/dbraw/zinc/62/91/36/1371629136.db2.gz WFENXYDIZBGBIZ-YESZJQIVSA-N 2 2 326.843 3.119 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(F)cc1Cl ZINC001120591253 1371629141 /nfs/dbraw/zinc/62/91/41/1371629141.db2.gz WFENXYDIZBGBIZ-YESZJQIVSA-N 2 2 326.843 3.119 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559127 1371817676 /nfs/dbraw/zinc/81/76/76/1371817676.db2.gz DJNJSOSPUHEEBA-GAKAQTAPSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559127 1371817680 /nfs/dbraw/zinc/81/76/80/1371817680.db2.gz DJNJSOSPUHEEBA-GAKAQTAPSA-N 2 2 344.503 3.013 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208616584 1371843035 /nfs/dbraw/zinc/84/30/35/1371843035.db2.gz KKQUREPAOCEHOF-MRXNPFEDSA-N 2 2 332.488 3.184 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC2 ZINC001208616584 1371843038 /nfs/dbraw/zinc/84/30/38/1371843038.db2.gz KKQUREPAOCEHOF-MRXNPFEDSA-N 2 2 332.488 3.184 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208616584 1371843042 /nfs/dbraw/zinc/84/30/42/1371843042.db2.gz KKQUREPAOCEHOF-MRXNPFEDSA-N 2 2 332.488 3.184 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC001208616584 1371843047 /nfs/dbraw/zinc/84/30/47/1371843047.db2.gz KKQUREPAOCEHOF-MRXNPFEDSA-N 2 2 332.488 3.184 20 0 EGADLP C[C@@H](CC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)CC(C)(C)C ZINC001208661609 1371854095 /nfs/dbraw/zinc/85/40/95/1371854095.db2.gz WXTVVPMDEDUZPY-INIZCTEOSA-N 2 2 344.507 3.191 20 0 EGADLP C[C@@H](CC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)CC(C)(C)C ZINC001208661609 1371854102 /nfs/dbraw/zinc/85/41/02/1371854102.db2.gz WXTVVPMDEDUZPY-INIZCTEOSA-N 2 2 344.507 3.191 20 0 EGADLP Clc1ccc(CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208740427 1371880598 /nfs/dbraw/zinc/88/05/98/1371880598.db2.gz MLLDQVYHKQURFJ-UHFFFAOYSA-N 2 2 344.890 3.191 20 0 EGADLP Clc1ccc(CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208740427 1371880602 /nfs/dbraw/zinc/88/06/02/1371880602.db2.gz MLLDQVYHKQURFJ-UHFFFAOYSA-N 2 2 344.890 3.191 20 0 EGADLP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1c(F)cccc1F ZINC001326357322 1388165666 /nfs/dbraw/zinc/16/56/66/1388165666.db2.gz WZCAELCKZJGUFP-GOSISDBHSA-N 2 2 345.393 3.199 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824421 1371906786 /nfs/dbraw/zinc/90/67/86/1371906786.db2.gz HVTVNQKWLOIKAM-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824421 1371906793 /nfs/dbraw/zinc/90/67/93/1371906793.db2.gz HVTVNQKWLOIKAM-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824421 1371906796 /nfs/dbraw/zinc/90/67/96/1371906796.db2.gz HVTVNQKWLOIKAM-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@@H]21 ZINC001208824421 1371906799 /nfs/dbraw/zinc/90/67/99/1371906799.db2.gz HVTVNQKWLOIKAM-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121294719 1371925508 /nfs/dbraw/zinc/92/55/08/1371925508.db2.gz GBSNEJQJIIRFCE-AYKOGJGSSA-N 2 2 340.471 3.240 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945061 1371959319 /nfs/dbraw/zinc/95/93/19/1371959319.db2.gz YKNHDWBSDHGUOA-NYVOZVTQSA-N 2 2 346.474 3.420 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945061 1371959323 /nfs/dbraw/zinc/95/93/23/1371959323.db2.gz YKNHDWBSDHGUOA-NYVOZVTQSA-N 2 2 346.474 3.420 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945061 1371959327 /nfs/dbraw/zinc/95/93/27/1371959327.db2.gz YKNHDWBSDHGUOA-NYVOZVTQSA-N 2 2 346.474 3.420 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945061 1371959330 /nfs/dbraw/zinc/95/93/30/1371959330.db2.gz YKNHDWBSDHGUOA-NYVOZVTQSA-N 2 2 346.474 3.420 20 0 EGADLP FC(F)(F)c1nc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC001209448571 1372108331 /nfs/dbraw/zinc/10/83/31/1372108331.db2.gz CKUXXNGXXNYGOY-ZDUSSCGKSA-N 2 2 346.397 3.144 20 0 EGADLP FC(F)(F)c1nc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC001209448571 1372108332 /nfs/dbraw/zinc/10/83/32/1372108332.db2.gz CKUXXNGXXNYGOY-ZDUSSCGKSA-N 2 2 346.397 3.144 20 0 EGADLP COC(=O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC001209452893 1372110120 /nfs/dbraw/zinc/11/01/20/1372110120.db2.gz UXCFKWSWWMOZFG-PMACEKPBSA-N 2 2 344.499 3.489 20 0 EGADLP COC(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC001209452893 1372110121 /nfs/dbraw/zinc/11/01/21/1372110121.db2.gz UXCFKWSWWMOZFG-PMACEKPBSA-N 2 2 344.499 3.489 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209568550 1372139021 /nfs/dbraw/zinc/13/90/21/1372139021.db2.gz NNWANSHEYOGGNC-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209569624 1372139044 /nfs/dbraw/zinc/13/90/44/1372139044.db2.gz UAEFQDPEQIVODI-ADDHZHGLSA-N 2 2 344.503 3.157 20 0 EGADLP CN(C(=O)OC(C)(C)C)C1CCC([N@H+](C)Cc2c[nH+]ccc2N)CC1 ZINC001209731414 1372179713 /nfs/dbraw/zinc/17/97/13/1372179713.db2.gz BYCAIGVZQIDQEG-UHFFFAOYSA-N 2 2 348.491 3.104 20 0 EGADLP CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)Cc2c[nH+]ccc2N)CC1 ZINC001209731414 1372179719 /nfs/dbraw/zinc/17/97/19/1372179719.db2.gz BYCAIGVZQIDQEG-UHFFFAOYSA-N 2 2 348.491 3.104 20 0 EGADLP C[NH+](C)CCc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001209932325 1372234764 /nfs/dbraw/zinc/23/47/64/1372234764.db2.gz LTRBVTLORDJHGF-UHFFFAOYSA-N 2 2 339.483 3.367 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[NH+]3CC(C[NH2+]C)C3)cc2)cc1 ZINC001210561251 1372379164 /nfs/dbraw/zinc/37/91/64/1372379164.db2.gz JWTPKRVBFYNUPH-UHFFFAOYSA-N 2 2 338.451 3.182 20 0 EGADLP C[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211450354 1372561842 /nfs/dbraw/zinc/56/18/42/1372561842.db2.gz VPTQYCTVRLEFOB-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211450354 1372561843 /nfs/dbraw/zinc/56/18/43/1372561843.db2.gz VPTQYCTVRLEFOB-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CCc1[nH+]ccc(C)c1Nc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001213543068 1372922762 /nfs/dbraw/zinc/92/27/62/1372922762.db2.gz GEDMUNCTGFTOTM-UHFFFAOYSA-N 2 2 340.471 3.456 20 0 EGADLP CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632579 1373092683 /nfs/dbraw/zinc/09/26/83/1373092683.db2.gz NJRVAOLOHHHJEY-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917413 1373141547 /nfs/dbraw/zinc/14/15/47/1373141547.db2.gz ZYIKCMWNEYXCEQ-BHIYHBOVSA-N 2 2 348.535 3.343 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001130006310 1373445318 /nfs/dbraw/zinc/44/53/18/1373445318.db2.gz BTHBUXDFRZPATF-YJBOKZPZSA-N 2 2 346.450 3.076 20 0 EGADLP Cc1cc(C[NH2+]CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(C)s1 ZINC001130006697 1373445376 /nfs/dbraw/zinc/44/53/76/1373445376.db2.gz PNHDNDDRJXKJKL-KRWDZBQOSA-N 2 2 348.516 3.055 20 0 EGADLP Cc1cccc(Cl)c1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266186 1373481284 /nfs/dbraw/zinc/48/12/84/1373481284.db2.gz OJSKGUXGXTXGRP-UHFFFAOYSA-N 2 2 342.830 3.044 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(F)cc1 ZINC001130268976 1373481712 /nfs/dbraw/zinc/48/17/12/1373481712.db2.gz SBWKLGHORNYATQ-INIZCTEOSA-N 2 2 340.402 3.173 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001130269126 1373481777 /nfs/dbraw/zinc/48/17/77/1373481777.db2.gz ZZXNFIPBXVBLOC-GJZGRUSLSA-N 2 2 328.460 3.099 20 0 EGADLP Cc1cc(Cl)ccc1-c1nnc(-c2ccc([C@@H]([NH3+])C[NH3+])cc2)o1 ZINC001217698680 1373490137 /nfs/dbraw/zinc/49/01/37/1373490137.db2.gz FQIOSMOWCUGWJO-HNNXBMFYSA-N 2 2 328.803 3.324 20 0 EGADLP CC(C)Oc1ccc(-c2nnc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217706518 1373491315 /nfs/dbraw/zinc/49/13/15/1373491315.db2.gz UZJHRMCNHOLPPB-MRXNPFEDSA-N 2 2 342.443 3.071 20 0 EGADLP COC(=O)c1ccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222389879 1373833538 /nfs/dbraw/zinc/83/35/38/1373833538.db2.gz HXUNBJOCGMJURB-FQEVSTJZSA-N 2 2 341.455 3.063 20 0 EGADLP COC(=O)c1ccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222389879 1373833543 /nfs/dbraw/zinc/83/35/43/1373833543.db2.gz HXUNBJOCGMJURB-FQEVSTJZSA-N 2 2 341.455 3.063 20 0 EGADLP Clc1ncc(C[N@@H+]2CCC[C@H](OCCC[NH+]3CCCC3)C2)s1 ZINC001224746346 1375073796 /nfs/dbraw/zinc/07/37/96/1375073796.db2.gz AJQRQOGMWIDPEI-AWEZNQCLSA-N 2 2 343.924 3.263 20 0 EGADLP Clc1ncc(C[N@H+]2CCC[C@H](OCCC[NH+]3CCCC3)C2)s1 ZINC001224746346 1375073803 /nfs/dbraw/zinc/07/38/03/1375073803.db2.gz AJQRQOGMWIDPEI-AWEZNQCLSA-N 2 2 343.924 3.263 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132023887 1375103166 /nfs/dbraw/zinc/10/31/66/1375103166.db2.gz BOFDNCKIHNKGCB-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132023887 1375103168 /nfs/dbraw/zinc/10/31/68/1375103168.db2.gz BOFDNCKIHNKGCB-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024969 1375104092 /nfs/dbraw/zinc/10/40/92/1375104092.db2.gz KWEYYDCXNHOVLS-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132024969 1375104096 /nfs/dbraw/zinc/10/40/96/1375104096.db2.gz KWEYYDCXNHOVLS-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CCCCC1 ZINC001132528670 1375442378 /nfs/dbraw/zinc/44/23/78/1375442378.db2.gz FFKQIOABMPYUKD-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CCCCC1 ZINC001132528670 1375442380 /nfs/dbraw/zinc/44/23/80/1375442380.db2.gz FFKQIOABMPYUKD-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@@H](C)F)c(C)[nH+]1 ZINC001227631240 1375456868 /nfs/dbraw/zinc/45/68/68/1375456868.db2.gz USXCKJUUQKICAA-KBRIMQKVSA-N 2 2 335.467 3.386 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132919936 1375645121 /nfs/dbraw/zinc/64/51/21/1375645121.db2.gz OYNLQWTWQGEMPV-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H](C[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001133002365 1375704871 /nfs/dbraw/zinc/70/48/71/1375704871.db2.gz PIJPASMNWWEBJR-IGJNKPTASA-N 2 2 349.906 3.447 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363293 1375945524 /nfs/dbraw/zinc/94/55/24/1375945524.db2.gz GLQGGDDARQMPLY-OALUTQOASA-N 2 2 348.535 3.318 20 0 EGADLP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001231658105 1376297182 /nfs/dbraw/zinc/29/71/82/1376297182.db2.gz UGQXDUZRUHLVFX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001231658105 1376297188 /nfs/dbraw/zinc/29/71/88/1376297188.db2.gz UGQXDUZRUHLVFX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001231658105 1376297196 /nfs/dbraw/zinc/29/71/96/1376297196.db2.gz UGQXDUZRUHLVFX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001231658105 1376297205 /nfs/dbraw/zinc/29/72/05/1376297205.db2.gz UGQXDUZRUHLVFX-HXUWFJFHSA-N 2 2 339.483 3.434 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cnc1F ZINC001231927555 1376353267 /nfs/dbraw/zinc/35/32/67/1376353267.db2.gz CTKFJZMDOQKOSN-CALCHBBNSA-N 2 2 329.419 3.076 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cnc1F ZINC001231927555 1376353271 /nfs/dbraw/zinc/35/32/71/1376353271.db2.gz CTKFJZMDOQKOSN-CALCHBBNSA-N 2 2 329.419 3.076 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cnc1F ZINC001231927555 1376353277 /nfs/dbraw/zinc/35/32/77/1376353277.db2.gz CTKFJZMDOQKOSN-CALCHBBNSA-N 2 2 329.419 3.076 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cnc1F ZINC001231927555 1376353285 /nfs/dbraw/zinc/35/32/85/1376353285.db2.gz CTKFJZMDOQKOSN-CALCHBBNSA-N 2 2 329.419 3.076 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc(C)n1 ZINC001231996878 1376376056 /nfs/dbraw/zinc/37/60/56/1376376056.db2.gz IBKCDRTWNFTQHI-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc(C)n1 ZINC001231996878 1376376059 /nfs/dbraw/zinc/37/60/59/1376376059.db2.gz IBKCDRTWNFTQHI-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc(C)n1 ZINC001231996878 1376376064 /nfs/dbraw/zinc/37/60/64/1376376064.db2.gz IBKCDRTWNFTQHI-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc(C)n1 ZINC001231996878 1376376069 /nfs/dbraw/zinc/37/60/69/1376376069.db2.gz IBKCDRTWNFTQHI-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP c1c(C[NH+]2CCN(c3nc4ccccc4s3)CC2)[nH]c2cc[nH+]cc12 ZINC001232013984 1376381995 /nfs/dbraw/zinc/38/19/95/1376381995.db2.gz FKDKFTGKGNZCDP-UHFFFAOYSA-N 2 2 349.463 3.495 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]Cc1ccc(Cl)cc1 ZINC001134228793 1376424631 /nfs/dbraw/zinc/42/46/31/1376424631.db2.gz QNGZPQXHARFTCI-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235740 1376426988 /nfs/dbraw/zinc/42/69/88/1376426988.db2.gz UEXVOTMHMIRPAV-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Nc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001232509906 1376471987 /nfs/dbraw/zinc/47/19/87/1376471987.db2.gz YANSLYGAJVZFBZ-GASCZTMLSA-N 2 2 331.460 3.033 20 0 EGADLP Nc1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001232509906 1376471991 /nfs/dbraw/zinc/47/19/91/1376471991.db2.gz YANSLYGAJVZFBZ-GASCZTMLSA-N 2 2 331.460 3.033 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001232509906 1376471995 /nfs/dbraw/zinc/47/19/95/1376471995.db2.gz YANSLYGAJVZFBZ-GASCZTMLSA-N 2 2 331.460 3.033 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001232509906 1376471999 /nfs/dbraw/zinc/47/19/99/1376471999.db2.gz YANSLYGAJVZFBZ-GASCZTMLSA-N 2 2 331.460 3.033 20 0 EGADLP COC(=O)/C=C/c1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001233300379 1376607721 /nfs/dbraw/zinc/60/77/21/1376607721.db2.gz NTMBSWRCEKXSGP-MDZDMXLPSA-N 2 2 330.472 3.177 20 0 EGADLP COC(=O)/C=C/c1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001233300379 1376607726 /nfs/dbraw/zinc/60/77/26/1376607726.db2.gz NTMBSWRCEKXSGP-MDZDMXLPSA-N 2 2 330.472 3.177 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313466 1376611075 /nfs/dbraw/zinc/61/10/75/1376611075.db2.gz XKBBTLSHNVAGSL-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313466 1376611081 /nfs/dbraw/zinc/61/10/81/1376611081.db2.gz XKBBTLSHNVAGSL-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313466 1376611086 /nfs/dbraw/zinc/61/10/86/1376611086.db2.gz XKBBTLSHNVAGSL-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC001233313466 1376611090 /nfs/dbraw/zinc/61/10/90/1376611090.db2.gz XKBBTLSHNVAGSL-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC2CC(C)(C)C2)c[nH+]1 ZINC001134730496 1376683323 /nfs/dbraw/zinc/68/33/23/1376683323.db2.gz YOCFACYLILTGHK-CABCVRRESA-N 2 2 348.535 3.236 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC1CCC1 ZINC001134733457 1376684911 /nfs/dbraw/zinc/68/49/11/1376684911.db2.gz ZZUNZBACOMCWTQ-HOTGVXAUSA-N 2 2 347.503 3.086 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCC1 ZINC001134963814 1376814228 /nfs/dbraw/zinc/81/42/28/1376814228.db2.gz ATAVJKWLSBDUMD-CVEARBPZSA-N 2 2 342.487 3.401 20 0 EGADLP CC(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098383 1376897702 /nfs/dbraw/zinc/89/77/02/1376897702.db2.gz XCCZJMGZQNRVCH-CVEARBPZSA-N 2 2 328.460 3.015 20 0 EGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235886991 1376910822 /nfs/dbraw/zinc/91/08/22/1376910822.db2.gz BIHBADXDAWDCEO-LJQANCHMSA-N 3 2 344.890 3.490 20 0 EGADLP Cc1ccc([C@]2(C)C[N@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947451 1376922659 /nfs/dbraw/zinc/92/26/59/1376922659.db2.gz BJVVBMMETYGPJZ-SZMVWBNQSA-N 2 2 338.442 3.033 20 0 EGADLP Cc1ccc([C@]2(C)C[N@@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947451 1376922674 /nfs/dbraw/zinc/92/26/74/1376922674.db2.gz BJVVBMMETYGPJZ-SZMVWBNQSA-N 2 2 338.442 3.033 20 0 EGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246297484 1377050789 /nfs/dbraw/zinc/05/07/89/1377050789.db2.gz GMXUJFJSGVACAT-FKBYEOEOSA-N 3 2 341.543 3.205 20 0 EGADLP CC[C@H]1CC([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)C[C@H](CC)[NH2+]1 ZINC001246380963 1377051511 /nfs/dbraw/zinc/05/15/11/1377051511.db2.gz LJQNZPRBXUHCTD-ROUUACIJSA-N 3 2 347.522 3.389 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2C[NH2+][C@@H](C)C2)CC3)cc1 ZINC001246716340 1377053056 /nfs/dbraw/zinc/05/30/56/1377053056.db2.gz UNOFRFYRPZVBGX-FPOVZHCZSA-N 3 2 341.543 3.423 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001136032351 1377305848 /nfs/dbraw/zinc/30/58/48/1377305848.db2.gz ZKQOLMJQCUZBPQ-GJZGRUSLSA-N 2 2 346.519 3.104 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001266492548 1377321338 /nfs/dbraw/zinc/32/13/38/1377321338.db2.gz QYYGPJIIPVITRF-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001266492548 1377321340 /nfs/dbraw/zinc/32/13/40/1377321340.db2.gz QYYGPJIIPVITRF-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1ccn2c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001136889021 1377435995 /nfs/dbraw/zinc/43/59/95/1377435995.db2.gz JJNFPEQUUWGMOE-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1ccn2c(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001136889021 1377435998 /nfs/dbraw/zinc/43/59/98/1377435998.db2.gz JJNFPEQUUWGMOE-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP c1[nH+]c2n(c1-c1ccccc1)CCC21CC[NH+](Cc2cncnc2)CC1 ZINC001137665819 1377585801 /nfs/dbraw/zinc/58/58/01/1377585801.db2.gz DSPHROCGLMZEQS-UHFFFAOYSA-N 2 2 345.450 3.278 20 0 EGADLP COC(=O)c1ccc2c(C[NH+]3CCC([N@H+](C)C4CC4)CC3)c[nH]c2c1 ZINC001138267562 1377696314 /nfs/dbraw/zinc/69/63/14/1377696314.db2.gz RNPKFNUMMVOBSV-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP COC(=O)c1ccc2c(C[NH+]3CCC([N@@H+](C)C4CC4)CC3)c[nH]c2c1 ZINC001138267562 1377696315 /nfs/dbraw/zinc/69/63/15/1377696315.db2.gz RNPKFNUMMVOBSV-UHFFFAOYSA-N 2 2 341.455 3.013 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1Cl ZINC001138476419 1377728025 /nfs/dbraw/zinc/72/80/25/1377728025.db2.gz GPUPMBMEDJCJGW-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)s1 ZINC001138803672 1377787793 /nfs/dbraw/zinc/78/77/93/1377787793.db2.gz WGYXIDJZRFYTGE-UHFFFAOYSA-N 2 2 345.516 3.015 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139061867 1377823209 /nfs/dbraw/zinc/82/32/09/1377823209.db2.gz XNKKYMNYOFQNSF-QZTJIDSGSA-N 2 2 333.435 3.392 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1Oc1ccccc1 ZINC001139055794 1377823543 /nfs/dbraw/zinc/82/35/43/1377823543.db2.gz OJLKBQIXBIINSN-UHFFFAOYSA-N 2 2 339.483 3.158 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1Oc1ccccc1 ZINC001139055794 1377823546 /nfs/dbraw/zinc/82/35/46/1377823546.db2.gz OJLKBQIXBIINSN-UHFFFAOYSA-N 2 2 339.483 3.158 20 0 EGADLP FC1(F)COC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139356422 1377873826 /nfs/dbraw/zinc/87/38/26/1377873826.db2.gz LWWDDLPNGSCNAJ-UHFFFAOYSA-N 2 2 333.382 3.263 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1-n1cncn1 ZINC001139422117 1377881445 /nfs/dbraw/zinc/88/14/45/1377881445.db2.gz PRCCNCWRNQWGKY-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1-n1cncn1 ZINC001139422117 1377881448 /nfs/dbraw/zinc/88/14/48/1377881448.db2.gz PRCCNCWRNQWGKY-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP CCC[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@H](C)CC ZINC001139760547 1377947772 /nfs/dbraw/zinc/94/77/72/1377947772.db2.gz RNJGUPXHCFIJNX-GOSISDBHSA-N 2 2 334.504 3.408 20 0 EGADLP CCC[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@H](C)CC ZINC001139760547 1377947776 /nfs/dbraw/zinc/94/77/76/1377947776.db2.gz RNJGUPXHCFIJNX-GOSISDBHSA-N 2 2 334.504 3.408 20 0 EGADLP CCC1CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139761143 1377947839 /nfs/dbraw/zinc/94/78/39/1377947839.db2.gz CWJYWMCUUDIJJV-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3cc4ccccc4n3C)CC2)CC1 ZINC001139873028 1377969106 /nfs/dbraw/zinc/96/91/06/1377969106.db2.gz WVCSIXAKWLAMLP-UHFFFAOYSA-N 2 2 341.499 3.254 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)nc3)C[C@@H]2C1 ZINC001140403489 1378057538 /nfs/dbraw/zinc/05/75/38/1378057538.db2.gz IJIJAGDUGMNQMM-IRXDYDNUSA-N 2 2 340.446 3.056 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166428 1378136949 /nfs/dbraw/zinc/13/69/49/1378136949.db2.gz VYDCZXGNVRKMIS-MRXNPFEDSA-N 2 2 344.425 3.430 20 0 EGADLP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166428 1378136950 /nfs/dbraw/zinc/13/69/50/1378136950.db2.gz VYDCZXGNVRKMIS-MRXNPFEDSA-N 2 2 344.425 3.430 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166428 1378136952 /nfs/dbraw/zinc/13/69/52/1378136952.db2.gz VYDCZXGNVRKMIS-MRXNPFEDSA-N 2 2 344.425 3.430 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166428 1378136954 /nfs/dbraw/zinc/13/69/54/1378136954.db2.gz VYDCZXGNVRKMIS-MRXNPFEDSA-N 2 2 344.425 3.430 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001140805240 1378143027 /nfs/dbraw/zinc/14/30/27/1378143027.db2.gz XMBIDFGZNFSHIV-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001140805240 1378143029 /nfs/dbraw/zinc/14/30/29/1378143029.db2.gz XMBIDFGZNFSHIV-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(Cl)c1 ZINC001140823412 1378151581 /nfs/dbraw/zinc/15/15/81/1378151581.db2.gz HAFJILOJGPJZGB-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP C[NH+]1CCN(c2ccccc2C[N@@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001140972818 1378196513 /nfs/dbraw/zinc/19/65/13/1378196513.db2.gz AGILDYBULUCGHL-UHFFFAOYSA-N 2 2 325.431 3.093 20 0 EGADLP C[NH+]1CCN(c2ccccc2C[N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001140972818 1378196515 /nfs/dbraw/zinc/19/65/15/1378196515.db2.gz AGILDYBULUCGHL-UHFFFAOYSA-N 2 2 325.431 3.093 20 0 EGADLP c1cn2ccc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH+]1 ZINC001141049993 1378222534 /nfs/dbraw/zinc/22/25/34/1378222534.db2.gz WAKUSEQCYKKIKW-NHCUHLMSSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2ccc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH+]1 ZINC001141049993 1378222539 /nfs/dbraw/zinc/22/25/39/1378222539.db2.gz WAKUSEQCYKKIKW-NHCUHLMSSA-N 2 2 346.478 3.288 20 0 EGADLP Nc1ccnc(F)c1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277584050 1378234568 /nfs/dbraw/zinc/23/45/68/1378234568.db2.gz VWLIEFRJWHZRIO-RBUKOAKNSA-N 2 2 332.467 3.270 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142204457 1378420087 /nfs/dbraw/zinc/42/00/87/1378420087.db2.gz AQZSPUKIEITRHS-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142204457 1378420089 /nfs/dbraw/zinc/42/00/89/1378420089.db2.gz AQZSPUKIEITRHS-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001142606632 1378463394 /nfs/dbraw/zinc/46/33/94/1378463394.db2.gz FKENYNPKRUJFPS-GOSISDBHSA-N 2 2 340.423 3.220 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001142606632 1378463395 /nfs/dbraw/zinc/46/33/95/1378463395.db2.gz FKENYNPKRUJFPS-GOSISDBHSA-N 2 2 340.423 3.220 20 0 EGADLP COc1cc(C)cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001143156144 1378549037 /nfs/dbraw/zinc/54/90/37/1378549037.db2.gz FWPIYJKVQAOHDN-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP COc1cc(C)cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001143156144 1378549040 /nfs/dbraw/zinc/54/90/40/1378549040.db2.gz FWPIYJKVQAOHDN-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263111 1378571704 /nfs/dbraw/zinc/57/17/04/1378571704.db2.gz VFWIMHSYHGWWFN-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263111 1378571707 /nfs/dbraw/zinc/57/17/07/1378571707.db2.gz VFWIMHSYHGWWFN-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263111 1378571711 /nfs/dbraw/zinc/57/17/11/1378571711.db2.gz VFWIMHSYHGWWFN-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263111 1378571716 /nfs/dbraw/zinc/57/17/16/1378571716.db2.gz VFWIMHSYHGWWFN-HNNXBMFYSA-N 2 2 332.341 3.252 20 0 EGADLP Cc1c(O)cccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001144111030 1378682988 /nfs/dbraw/zinc/68/29/88/1378682988.db2.gz QZZUFWIJXCAOCU-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1c(O)cccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001144111030 1378682990 /nfs/dbraw/zinc/68/29/90/1378682990.db2.gz QZZUFWIJXCAOCU-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1c(O)cccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001144111030 1378682991 /nfs/dbraw/zinc/68/29/91/1378682991.db2.gz QZZUFWIJXCAOCU-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1c(O)cccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001144111030 1378682993 /nfs/dbraw/zinc/68/29/93/1378682993.db2.gz QZZUFWIJXCAOCU-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP CC[N@H+](Cc1ccc(Br)c(OC)c1)C1CC[NH+](C)CC1 ZINC001144229752 1378701831 /nfs/dbraw/zinc/70/18/31/1378701831.db2.gz ADIWIHBZWPOWNX-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[N@@H+](Cc1ccc(Br)c(OC)c1)C1CC[NH+](C)CC1 ZINC001144229752 1378701837 /nfs/dbraw/zinc/70/18/37/1378701837.db2.gz ADIWIHBZWPOWNX-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c2[nH]1 ZINC001144712085 1378762554 /nfs/dbraw/zinc/76/25/54/1378762554.db2.gz JSCMXTWJYWALMW-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2[nH]1 ZINC001144712084 1378762598 /nfs/dbraw/zinc/76/25/98/1378762598.db2.gz JSCMXTWJYWALMW-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001146474416 1378846384 /nfs/dbraw/zinc/84/63/84/1378846384.db2.gz USLDAYXQFGJOOT-FQEVSTJZSA-N 2 2 348.450 3.343 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712639 1378905207 /nfs/dbraw/zinc/90/52/07/1378905207.db2.gz DRCIEKQUYLABBB-IRXDYDNUSA-N 2 2 334.508 3.117 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146713171 1378906153 /nfs/dbraw/zinc/90/61/53/1378906153.db2.gz HODMGNFUXQNIAI-DLBZAZTESA-N 2 2 334.508 3.117 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001146754326 1378913606 /nfs/dbraw/zinc/91/36/06/1378913606.db2.gz DOSGYJANHRBTIB-SJORKVTESA-N 2 2 342.487 3.080 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766795 1379075382 /nfs/dbraw/zinc/07/53/82/1379075382.db2.gz HPXWSFBBQNJCED-QZTJIDSGSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766795 1379075387 /nfs/dbraw/zinc/07/53/87/1379075387.db2.gz HPXWSFBBQNJCED-QZTJIDSGSA-N 2 2 346.519 3.051 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994528 1380173513 /nfs/dbraw/zinc/17/35/13/1380173513.db2.gz KSQZIFAQGALBOZ-MRXNPFEDSA-N 2 2 336.524 3.189 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994528 1380173516 /nfs/dbraw/zinc/17/35/16/1380173516.db2.gz KSQZIFAQGALBOZ-MRXNPFEDSA-N 2 2 336.524 3.189 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005126 1380176141 /nfs/dbraw/zinc/17/61/41/1380176141.db2.gz YFRNIWYMCGLRMQ-MRXNPFEDSA-N 2 2 349.519 3.286 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005126 1380176142 /nfs/dbraw/zinc/17/61/42/1380176142.db2.gz YFRNIWYMCGLRMQ-MRXNPFEDSA-N 2 2 349.519 3.286 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422529 1380274962 /nfs/dbraw/zinc/27/49/62/1380274962.db2.gz RPQCDGMDSWJIFJ-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422529 1380274963 /nfs/dbraw/zinc/27/49/63/1380274963.db2.gz RPQCDGMDSWJIFJ-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP c1ccc(CSc2cc[nH+]c(N[C@H]3COCCC34C[NH2+]C4)c2)cc1 ZINC001155470895 1380457074 /nfs/dbraw/zinc/45/70/74/1380457074.db2.gz DMZMBYMBBKBLEZ-KRWDZBQOSA-N 2 2 341.480 3.164 20 0 EGADLP CC[N@H+](Cc1ccccc1F)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521938 1380464100 /nfs/dbraw/zinc/46/41/00/1380464100.db2.gz OZFNPEVNOKUJFB-HZPDHXFCSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@@H+](Cc1ccccc1F)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521938 1380464101 /nfs/dbraw/zinc/46/41/01/1380464101.db2.gz OZFNPEVNOKUJFB-HZPDHXFCSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522253 1380464277 /nfs/dbraw/zinc/46/42/77/1380464277.db2.gz SCIBBMZOKIACTN-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522253 1380464279 /nfs/dbraw/zinc/46/42/79/1380464279.db2.gz SCIBBMZOKIACTN-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751930 1380489110 /nfs/dbraw/zinc/48/91/10/1380489110.db2.gz WJRWETUHSMUFBL-HZPDHXFCSA-N 2 2 336.524 3.241 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751930 1380489111 /nfs/dbraw/zinc/48/91/11/1380489111.db2.gz WJRWETUHSMUFBL-HZPDHXFCSA-N 2 2 336.524 3.241 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751930 1380489112 /nfs/dbraw/zinc/48/91/12/1380489112.db2.gz WJRWETUHSMUFBL-HZPDHXFCSA-N 2 2 336.524 3.241 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751930 1380489113 /nfs/dbraw/zinc/48/91/13/1380489113.db2.gz WJRWETUHSMUFBL-HZPDHXFCSA-N 2 2 336.524 3.241 20 0 EGADLP COc1ccc2[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)cc(C)c2c1 ZINC001155827048 1380496270 /nfs/dbraw/zinc/49/62/70/1380496270.db2.gz ZPPHCDVHLBBKAN-AZUAARDMSA-N 2 2 341.455 3.265 20 0 EGADLP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156026074 1380514348 /nfs/dbraw/zinc/51/43/48/1380514348.db2.gz YJYXHZCBWSEGOO-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156026074 1380514349 /nfs/dbraw/zinc/51/43/49/1380514349.db2.gz YJYXHZCBWSEGOO-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP COc1cc2c[nH+]c(N3CC[C@@H]([N@H+](C)C(C)C)C3)cc2cc1OC ZINC001157022119 1380753325 /nfs/dbraw/zinc/75/33/25/1380753325.db2.gz UVTYRBPRLUFYHL-MRXNPFEDSA-N 2 2 329.444 3.171 20 0 EGADLP COc1cc2c[nH+]c(N3CC[C@@H]([N@@H+](C)C(C)C)C3)cc2cc1OC ZINC001157022119 1380753330 /nfs/dbraw/zinc/75/33/30/1380753330.db2.gz UVTYRBPRLUFYHL-MRXNPFEDSA-N 2 2 329.444 3.171 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001157265482 1380827642 /nfs/dbraw/zinc/82/76/42/1380827642.db2.gz SKPIJKOJASBXEU-INIZCTEOSA-N 2 2 342.487 3.323 20 0 EGADLP CCC[N@H+]1C[C@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)C[C@H]2C1 ZINC001157699785 1381006830 /nfs/dbraw/zinc/00/68/30/1381006830.db2.gz MRQOAAAVHFNNIE-GASCZTMLSA-N 2 2 341.455 3.030 20 0 EGADLP CCC[N@@H+]1C[C@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)C[C@H]2C1 ZINC001157699785 1381006841 /nfs/dbraw/zinc/00/68/41/1381006841.db2.gz MRQOAAAVHFNNIE-GASCZTMLSA-N 2 2 341.455 3.030 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CCC3CCCCC3)ccn12 ZINC001158061769 1381116709 /nfs/dbraw/zinc/11/67/09/1381116709.db2.gz GNIMOTVPQSFZFR-UHFFFAOYSA-N 2 2 342.487 3.323 20 0 EGADLP C[N@H+](C/C=C\Cl)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128567 1381136327 /nfs/dbraw/zinc/13/63/27/1381136327.db2.gz DVSFJLPLTVEVFE-IJVDHGTGSA-N 2 2 346.862 3.242 20 0 EGADLP C[N@@H+](C/C=C\Cl)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128567 1381136330 /nfs/dbraw/zinc/13/63/30/1381136330.db2.gz DVSFJLPLTVEVFE-IJVDHGTGSA-N 2 2 346.862 3.242 20 0 EGADLP CC1(C)C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)C[C@@](C)(C[NH3+])C1 ZINC001158263359 1381177782 /nfs/dbraw/zinc/17/77/82/1381177782.db2.gz BUDTUSTULQDFQI-HNAYVOBHSA-N 2 2 331.508 3.423 20 0 EGADLP CC1(C)C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C[C@@](C)(C[NH3+])C1 ZINC001158263359 1381177785 /nfs/dbraw/zinc/17/77/85/1381177785.db2.gz BUDTUSTULQDFQI-HNAYVOBHSA-N 2 2 331.508 3.423 20 0 EGADLP CC(C)Oc1cc[nH+]c(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001158625000 1381328324 /nfs/dbraw/zinc/32/83/24/1381328324.db2.gz ZCONPXNNZMHNOM-HNNXBMFYSA-N 2 2 325.403 3.179 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654065 1381338255 /nfs/dbraw/zinc/33/82/55/1381338255.db2.gz NSBSNVUXGBQLBN-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654065 1381338261 /nfs/dbraw/zinc/33/82/61/1381338261.db2.gz NSBSNVUXGBQLBN-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949543 1381481660 /nfs/dbraw/zinc/48/16/60/1381481660.db2.gz PGUPUARFWZOAMZ-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949543 1381481665 /nfs/dbraw/zinc/48/16/65/1381481665.db2.gz PGUPUARFWZOAMZ-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP Nc1ccc2cc(Nc3ccc[nH+]c3N3CCC([NH3+])CC3)ccc2c1 ZINC001159262347 1381746876 /nfs/dbraw/zinc/74/68/76/1381746876.db2.gz VAJATRYSOLMAPP-UHFFFAOYSA-N 2 2 333.439 3.488 20 0 EGADLP c1cn(-c2ccccc2Nc2cccc(CN3CC[NH2+]CC3)c2)c[nH+]1 ZINC001159448558 1381797280 /nfs/dbraw/zinc/79/72/80/1381797280.db2.gz ZHMRNGNHBMNMSQ-UHFFFAOYSA-N 2 2 333.439 3.021 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001159971834 1381954285 /nfs/dbraw/zinc/95/42/85/1381954285.db2.gz ANEAECUFSXEKHB-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001159971834 1381954287 /nfs/dbraw/zinc/95/42/87/1381954287.db2.gz ANEAECUFSXEKHB-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CN(C)c1ccc(Nc2cccc(F)c2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001160188929 1382029257 /nfs/dbraw/zinc/02/92/57/1382029257.db2.gz AXVKWOIUHJDHQD-UHFFFAOYSA-N 2 2 344.434 3.409 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1=CC[N@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001160422739 1382100235 /nfs/dbraw/zinc/10/02/35/1382100235.db2.gz DSRAHRFCYDVYMO-IBGZPJMESA-N 2 2 346.519 3.265 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1)n1cc[nH+]c1 ZINC001160422739 1382100239 /nfs/dbraw/zinc/10/02/39/1382100239.db2.gz DSRAHRFCYDVYMO-IBGZPJMESA-N 2 2 346.519 3.265 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc(F)c1 ZINC001160992960 1382265980 /nfs/dbraw/zinc/26/59/80/1382265980.db2.gz VYDHDXHGQJZOCA-CYBMUJFWSA-N 2 2 340.402 3.173 20 0 EGADLP CCC(CC)[NH+]1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC001161100445 1382295751 /nfs/dbraw/zinc/29/57/51/1382295751.db2.gz BDFGLRHISISNQX-UHFFFAOYSA-N 2 2 349.548 3.095 20 0 EGADLP CCC(CC)[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC001161100445 1382295755 /nfs/dbraw/zinc/29/57/55/1382295755.db2.gz BDFGLRHISISNQX-UHFFFAOYSA-N 2 2 349.548 3.095 20 0 EGADLP O=C(C[NH+]1CCC(Nc2ccc3c([nH+]2)CCC3)CC1)c1ccccc1 ZINC001161142732 1382315249 /nfs/dbraw/zinc/31/52/49/1382315249.db2.gz DSRLCPVAGFXECF-UHFFFAOYSA-N 2 2 335.451 3.330 20 0 EGADLP c1nc(NCC2CC[NH+](CC3CCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC001161233767 1382351384 /nfs/dbraw/zinc/35/13/84/1382351384.db2.gz ANHQGIRFLFLTCH-UHFFFAOYSA-N 2 2 343.519 3.391 20 0 EGADLP c1nc(N2CCCCC2)cc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]1 ZINC001161233767 1382351386 /nfs/dbraw/zinc/35/13/86/1382351386.db2.gz ANHQGIRFLFLTCH-UHFFFAOYSA-N 2 2 343.519 3.391 20 0 EGADLP Cc1c[nH+]c(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)nc1NC1CC1 ZINC001161677750 1382477771 /nfs/dbraw/zinc/47/77/71/1382477771.db2.gz QKXXFMUFHPQRDS-KOMQPUFPSA-N 2 2 331.508 3.482 20 0 EGADLP CSc1c[nH+]c(NCC2(c3cccnc3)CC[NH2+]CC2)c(C)c1 ZINC001162036755 1382610163 /nfs/dbraw/zinc/61/01/63/1382610163.db2.gz MCSXKOMDOKMYIM-UHFFFAOYSA-N 2 2 328.485 3.240 20 0 EGADLP CSc1cc[nH+]c(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162198042 1382655076 /nfs/dbraw/zinc/65/50/76/1382655076.db2.gz QEMJOLHOLFYGDD-WKILWMFISA-N 2 2 328.485 3.475 20 0 EGADLP C[NH+]1CCN(c2cccc(N[C@H]3CCc4c3c(F)ccc4F)[nH+]2)CC1 ZINC001162932838 1382920890 /nfs/dbraw/zinc/92/08/90/1382920890.db2.gz UKVGKVQLYDAVIW-INIZCTEOSA-N 2 2 344.409 3.211 20 0 EGADLP CC(C)c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001163278575 1383011882 /nfs/dbraw/zinc/01/18/82/1383011882.db2.gz JTYXBFDASBWJFV-DNVCBOLYSA-N 2 2 332.492 3.294 20 0 EGADLP CC(C)c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001163278577 1383012184 /nfs/dbraw/zinc/01/21/84/1383012184.db2.gz JTYXBFDASBWJFV-KXBFYZLASA-N 2 2 332.492 3.294 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001163450889 1383054552 /nfs/dbraw/zinc/05/45/52/1383054552.db2.gz DQJVFTDVTXNKGS-KRWDZBQOSA-N 2 2 348.450 3.343 20 0 EGADLP COc1cc2[nH+]c(N3CCC[C@@](C)(C[NH3+])CC3)ccc2c(OC)c1 ZINC001164249566 1383171362 /nfs/dbraw/zinc/17/13/62/1383171362.db2.gz FGVUPBHBCFFAPP-LJQANCHMSA-N 2 2 329.444 3.207 20 0 EGADLP Cc1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc(C2CC2)[nH+]1 ZINC001165269458 1383262832 /nfs/dbraw/zinc/26/28/32/1383262832.db2.gz HQAGGBULMADERA-HNNXBMFYSA-N 2 2 340.393 3.173 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C3CC[NH2+]CC3)nc[nH+]2)C1 ZINC001165323004 1383273129 /nfs/dbraw/zinc/27/31/29/1383273129.db2.gz MZYRGAMZCGOJLS-AEFFLSMTSA-N 2 2 343.519 3.071 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C3CC[NH2+]CC3)[nH+]cn2)C1 ZINC001165323004 1383273134 /nfs/dbraw/zinc/27/31/34/1383273134.db2.gz MZYRGAMZCGOJLS-AEFFLSMTSA-N 2 2 343.519 3.071 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc3cc(C)c(C)cc3nc1Cl)CC[NH2+]CC2 ZINC001165354729 1383281223 /nfs/dbraw/zinc/28/12/23/1383281223.db2.gz IECMYJQAVXPGGO-UHFFFAOYSA-N 2 2 341.846 3.082 20 0 EGADLP CC(C)=CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165750426 1383338656 /nfs/dbraw/zinc/33/86/56/1383338656.db2.gz WPPRASSIFYBMBP-UHFFFAOYSA-N 2 2 326.444 3.019 20 0 EGADLP CCC(CC)C[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756458 1383339953 /nfs/dbraw/zinc/33/99/53/1383339953.db2.gz JMHLBEVNWBSIOD-UHFFFAOYSA-N 2 2 342.487 3.489 20 0 EGADLP CC(C)(C)CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756383 1383340503 /nfs/dbraw/zinc/34/05/03/1383340503.db2.gz GEWHJLFJLMVTKM-UHFFFAOYSA-N 2 2 342.487 3.489 20 0 EGADLP CC[C@H](F)C[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166295203 1383409773 /nfs/dbraw/zinc/40/97/73/1383409773.db2.gz SAHGWYRDAXCHJW-INIZCTEOSA-N 2 2 335.467 3.245 20 0 EGADLP CC1(C)CCC(C[NH2+]CC2(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001167333581 1383601023 /nfs/dbraw/zinc/60/10/23/1383601023.db2.gz HAPLALKPVFPCJV-UHFFFAOYSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001167349784 1383606265 /nfs/dbraw/zinc/60/62/65/1383606265.db2.gz GJPOCIQHOGPZLP-OAHLLOKOSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348810 1383606294 /nfs/dbraw/zinc/60/62/94/1383606294.db2.gz VKACCEISRMOPST-ZWKOTPCHSA-N 2 2 348.535 3.393 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001167532576 1383659548 /nfs/dbraw/zinc/65/95/48/1383659548.db2.gz UJBAVJAGQBXIJP-IAGOWNOFSA-N 2 2 346.519 3.045 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001167979506 1383785279 /nfs/dbraw/zinc/78/52/79/1383785279.db2.gz SRXFHVXQULLTNL-DLBZAZTESA-N 2 2 342.487 3.062 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001167979506 1383785280 /nfs/dbraw/zinc/78/52/80/1383785280.db2.gz SRXFHVXQULLTNL-DLBZAZTESA-N 2 2 342.487 3.062 20 0 EGADLP COc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC001168022342 1383798722 /nfs/dbraw/zinc/79/87/22/1383798722.db2.gz RUOOMZOJOBIAJK-HZPDHXFCSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@H]1CC([NH+]2CCC3(C[NH+](C)C3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054718 1383805360 /nfs/dbraw/zinc/80/53/60/1383805360.db2.gz AOMJIMXSIKBWFP-OALUTQOASA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C)Cc1nc(CSCCNc2cccc(C[NH3+])c2)cs1 ZINC001168108459 1383818330 /nfs/dbraw/zinc/81/83/30/1383818330.db2.gz ORFOKYOPTZHQJW-UHFFFAOYSA-N 2 2 336.530 3.009 20 0 EGADLP Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1-n1cc[nH+]c1 ZINC001306513765 1383894599 /nfs/dbraw/zinc/89/45/99/1383894599.db2.gz CXWFLWXHGVQJFG-QGZVFWFLSA-N 2 2 326.444 3.384 20 0 EGADLP Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1-n1cc[nH+]c1 ZINC001306513765 1383894612 /nfs/dbraw/zinc/89/46/12/1383894612.db2.gz CXWFLWXHGVQJFG-QGZVFWFLSA-N 2 2 326.444 3.384 20 0 EGADLP CCc1cc(N(CCCc2ccccc2)CC[NH+](C)C)nc(C)[nH+]1 ZINC001306988507 1383930542 /nfs/dbraw/zinc/93/05/42/1383930542.db2.gz AWDZVCAGWZSRMY-UHFFFAOYSA-N 2 2 326.488 3.348 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001168582398 1383941750 /nfs/dbraw/zinc/94/17/50/1383941750.db2.gz DRLIOOLLVWAZIB-UYAOXDASSA-N 2 2 332.488 3.381 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155772 1384116786 /nfs/dbraw/zinc/11/67/86/1384116786.db2.gz UNXHHLSZVBCEMW-AERCQKQUSA-N 3 2 339.527 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155772 1384116787 /nfs/dbraw/zinc/11/67/87/1384116787.db2.gz UNXHHLSZVBCEMW-AERCQKQUSA-N 3 2 339.527 3.210 20 0 EGADLP O=C(OC1CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1)c1ccccc1 ZINC001169282926 1384131961 /nfs/dbraw/zinc/13/19/61/1384131961.db2.gz GNUQFTUGQAKNCL-FDYSRKEFSA-N 2 2 342.483 3.371 20 0 EGADLP O=C(OC1CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1)c1ccccc1 ZINC001169282926 1384131963 /nfs/dbraw/zinc/13/19/63/1384131963.db2.gz GNUQFTUGQAKNCL-FDYSRKEFSA-N 2 2 342.483 3.371 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(O[C@H]2CCOC2)cc[nH+]1 ZINC001169689481 1384173845 /nfs/dbraw/zinc/17/38/45/1384173845.db2.gz JQVSXHDLDCSOLK-WMZOPIPTSA-N 2 2 339.439 3.489 20 0 EGADLP CCCCCC[C@H](CC)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001170599638 1384347988 /nfs/dbraw/zinc/34/79/88/1384347988.db2.gz PIMLNAOICLYIHR-KRWDZBQOSA-N 2 2 344.507 3.478 20 0 EGADLP CCCCCC[C@H](CC)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001170599638 1384347991 /nfs/dbraw/zinc/34/79/91/1384347991.db2.gz PIMLNAOICLYIHR-KRWDZBQOSA-N 2 2 344.507 3.478 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852884 1384399027 /nfs/dbraw/zinc/39/90/27/1384399027.db2.gz ZDVDVADXDOBIFL-IAGOWNOFSA-N 2 2 337.305 3.379 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852884 1384399030 /nfs/dbraw/zinc/39/90/30/1384399030.db2.gz ZDVDVADXDOBIFL-IAGOWNOFSA-N 2 2 337.305 3.379 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170894765 1384406852 /nfs/dbraw/zinc/40/68/52/1384406852.db2.gz NBYXOYFJNWUCCB-IRXDYDNUSA-N 2 2 348.535 3.073 20 0 EGADLP Fc1cccc2c1C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001170956751 1384418048 /nfs/dbraw/zinc/41/80/48/1384418048.db2.gz YSWRQMZBKCXFFV-KRWDZBQOSA-N 2 2 325.431 3.337 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001316624579 1384490072 /nfs/dbraw/zinc/49/00/72/1384490072.db2.gz BLRLOJPJEMFKAF-HDICACEKSA-N 2 2 346.519 3.106 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475715 1384534555 /nfs/dbraw/zinc/53/45/55/1384534555.db2.gz MWLFQAJAPOPEST-HZPDHXFCSA-N 2 2 336.524 3.237 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)c[nH+]1 ZINC001171509500 1384546664 /nfs/dbraw/zinc/54/66/64/1384546664.db2.gz QZVGRDHIGWJFPN-INIZCTEOSA-N 2 2 336.524 3.237 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576494 1384568588 /nfs/dbraw/zinc/56/85/88/1384568588.db2.gz AGAZRHBSQYAPSH-JTDRTSHGSA-N 2 2 346.519 3.066 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171607148 1384578844 /nfs/dbraw/zinc/57/88/44/1384578844.db2.gz ZMXZTFSBTSQYEZ-RDJZCZTQSA-N 2 2 348.535 3.278 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171607148 1384578847 /nfs/dbraw/zinc/57/88/47/1384578847.db2.gz ZMXZTFSBTSQYEZ-RDJZCZTQSA-N 2 2 348.535 3.278 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cncnc2C(C)(F)F)CC1(C)C ZINC001171628885 1384585366 /nfs/dbraw/zinc/58/53/66/1384585366.db2.gz LIZYGHIAZNKYOH-UHFFFAOYSA-N 2 2 326.435 3.329 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCN(Cc3ccccc3)CC2)CC1(C)C ZINC001171634840 1384586989 /nfs/dbraw/zinc/58/69/89/1384586989.db2.gz IIKPIBHTJLFEOZ-UHFFFAOYSA-N 2 2 329.532 3.456 20 0 EGADLP O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001171884800 1384670865 /nfs/dbraw/zinc/67/08/65/1384670865.db2.gz BERYCKBBYITAOA-IBGZPJMESA-N 2 2 348.450 3.119 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896832 1384673908 /nfs/dbraw/zinc/67/39/08/1384673908.db2.gz VSAKTNCYUMDHBF-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102220 1384726839 /nfs/dbraw/zinc/72/68/39/1384726839.db2.gz LAGLPUKAQUHZJA-MXEMCNAFSA-N 3 2 327.516 3.113 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102220 1384726841 /nfs/dbraw/zinc/72/68/41/1384726841.db2.gz LAGLPUKAQUHZJA-MXEMCNAFSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102220 1384726854 /nfs/dbraw/zinc/72/68/54/1384726854.db2.gz LAGLPUKAQUHZJA-MXEMCNAFSA-N 3 2 327.516 3.113 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109722 1384729123 /nfs/dbraw/zinc/72/91/23/1384729123.db2.gz KJFZURHFDINAAK-UQCNXYBZSA-N 2 2 331.548 3.231 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109722 1384729126 /nfs/dbraw/zinc/72/91/26/1384729126.db2.gz KJFZURHFDINAAK-UQCNXYBZSA-N 2 2 331.548 3.231 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109722 1384729128 /nfs/dbraw/zinc/72/91/28/1384729128.db2.gz KJFZURHFDINAAK-UQCNXYBZSA-N 2 2 331.548 3.231 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](CCN)C13CC4CC(CC(C4)C1)C3)C2 ZINC001172109722 1384729132 /nfs/dbraw/zinc/72/91/32/1384729132.db2.gz KJFZURHFDINAAK-UQCNXYBZSA-N 2 2 331.548 3.231 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)C2 ZINC001172116028 1384732637 /nfs/dbraw/zinc/73/26/37/1384732637.db2.gz CUDYMZUHIVJSKW-QQXKLLMISA-N 3 2 345.556 3.127 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)C2 ZINC001172116028 1384732640 /nfs/dbraw/zinc/73/26/40/1384732640.db2.gz CUDYMZUHIVJSKW-QQXKLLMISA-N 3 2 345.556 3.127 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172322271 1384769702 /nfs/dbraw/zinc/76/97/02/1384769702.db2.gz SRDOMJOAXNOPDU-QZTJIDSGSA-N 2 2 334.504 3.202 20 0 EGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CCOCC(C)C)CC1 ZINC001172469151 1384799690 /nfs/dbraw/zinc/79/96/90/1384799690.db2.gz RWOJZQHLOKFNRH-QGZVFWFLSA-N 2 2 334.504 3.396 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621806 1384820778 /nfs/dbraw/zinc/82/07/78/1384820778.db2.gz IQLLTSGQPJWCNA-SJLPKXTDSA-N 2 2 327.428 3.036 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621806 1384820782 /nfs/dbraw/zinc/82/07/82/1384820782.db2.gz IQLLTSGQPJWCNA-SJLPKXTDSA-N 2 2 327.428 3.036 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172801871 1384855513 /nfs/dbraw/zinc/85/55/13/1384855513.db2.gz KOYPHOHDXUELIP-ALOPSCKCSA-N 2 2 337.508 3.014 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172801871 1384855516 /nfs/dbraw/zinc/85/55/16/1384855516.db2.gz KOYPHOHDXUELIP-ALOPSCKCSA-N 2 2 337.508 3.014 20 0 EGADLP CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173101330 1384915168 /nfs/dbraw/zinc/91/51/68/1384915168.db2.gz GLJTTYDVOBTRED-SOAGJPPSSA-N 2 2 346.515 3.403 20 0 EGADLP c1nc2c(s1)C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)CC2 ZINC001173125997 1384919129 /nfs/dbraw/zinc/91/91/29/1384919129.db2.gz KAISOVMSIDXOFP-SJORKVTESA-N 2 2 327.497 3.255 20 0 EGADLP c1nc2c(s1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)CC2 ZINC001173125997 1384919133 /nfs/dbraw/zinc/91/91/33/1384919133.db2.gz KAISOVMSIDXOFP-SJORKVTESA-N 2 2 327.497 3.255 20 0 EGADLP COc1cccc2c1C[C@@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC001173167512 1384928224 /nfs/dbraw/zinc/92/82/24/1384928224.db2.gz GLWMRZLQIAWJHZ-GOSISDBHSA-N 2 2 349.434 3.316 20 0 EGADLP COc1cccc2c1C[C@@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC001173167512 1384928228 /nfs/dbraw/zinc/92/82/28/1384928228.db2.gz GLWMRZLQIAWJHZ-GOSISDBHSA-N 2 2 349.434 3.316 20 0 EGADLP CC[C@H]1CC[C@@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001173280155 1384950386 /nfs/dbraw/zinc/95/03/86/1384950386.db2.gz SVRQLOXQMVYGAR-ZWKOTPCHSA-N 2 2 329.488 3.332 20 0 EGADLP COC(=O)CCCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442622 1384971148 /nfs/dbraw/zinc/97/11/48/1384971148.db2.gz GTLVHSVQNQBADL-BRWVUGGUSA-N 2 2 333.476 3.280 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173624099 1384990779 /nfs/dbraw/zinc/99/07/79/1384990779.db2.gz XPQNDBRSAGBNFW-IAGOWNOFSA-N 2 2 327.428 3.084 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663220 1384999447 /nfs/dbraw/zinc/99/94/47/1384999447.db2.gz FXTIRJKSHIBPGA-QFBILLFUSA-N 2 2 336.520 3.447 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663220 1384999450 /nfs/dbraw/zinc/99/94/50/1384999450.db2.gz FXTIRJKSHIBPGA-QFBILLFUSA-N 2 2 336.520 3.447 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173672607 1385001253 /nfs/dbraw/zinc/00/12/53/1385001253.db2.gz QGDMFJQOJKRRJY-INMHGKMJSA-N 2 2 339.524 3.237 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173672607 1385001256 /nfs/dbraw/zinc/00/12/56/1385001256.db2.gz QGDMFJQOJKRRJY-INMHGKMJSA-N 2 2 339.524 3.237 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001174691403 1385134889 /nfs/dbraw/zinc/13/48/89/1385134889.db2.gz KPVJSKGWWVISBF-UHFFFAOYSA-N 2 2 348.535 3.209 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501839 1385312807 /nfs/dbraw/zinc/31/28/07/1385312807.db2.gz GHPUYJALELNJHQ-MSOLQXFVSA-N 2 2 342.487 3.299 20 0 EGADLP Cc1cn2cc(Nc3ccc(CC[NH+]4CCOCC4)cc3)ccc2[nH+]1 ZINC001176379475 1385568877 /nfs/dbraw/zinc/56/88/77/1385568877.db2.gz FZSRGAWBOFKWQX-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001317973148 1385594164 /nfs/dbraw/zinc/59/41/64/1385594164.db2.gz QRVKZHVDXWNXNP-OALUTQOASA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001317973148 1385594166 /nfs/dbraw/zinc/59/41/66/1385594166.db2.gz QRVKZHVDXWNXNP-OALUTQOASA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC001177354844 1385927111 /nfs/dbraw/zinc/92/71/11/1385927111.db2.gz DMUKKLSWPAMRBE-HNNXBMFYSA-N 2 2 348.878 3.174 20 0 EGADLP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001177412513 1385947216 /nfs/dbraw/zinc/94/72/16/1385947216.db2.gz FICZZNVSADDJSG-QGZVFWFLSA-N 2 2 346.519 3.237 20 0 EGADLP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177430983 1385953647 /nfs/dbraw/zinc/95/36/47/1385953647.db2.gz FVEVCJFQQHTGHZ-ONEGZZNKSA-N 2 2 346.519 3.307 20 0 EGADLP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177430982 1385953710 /nfs/dbraw/zinc/95/37/10/1385953710.db2.gz FVEVCJFQQHTGHZ-ARJAWSKDSA-N 2 2 346.519 3.307 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177468925 1385968188 /nfs/dbraw/zinc/96/81/88/1385968188.db2.gz PBWULVJAMJAICR-UHFFFAOYSA-N 2 2 334.508 3.059 20 0 EGADLP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177469293 1385968963 /nfs/dbraw/zinc/96/89/63/1385968963.db2.gz ZPGKCDPGGLVTQN-INIZCTEOSA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492450 1385978215 /nfs/dbraw/zinc/97/82/15/1385978215.db2.gz IABVHIRFRWCDQX-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP COCC[C@@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001177600053 1386004739 /nfs/dbraw/zinc/00/47/39/1386004739.db2.gz XGIMSVGIFYSBPY-CQSZACIVSA-N 2 2 337.851 3.130 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001319461598 1386132480 /nfs/dbraw/zinc/13/24/80/1386132480.db2.gz UJSLLKAPEVDEBE-JKSUJKDBSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001698633659 1406277748 /nfs/dbraw/zinc/27/77/48/1406277748.db2.gz JKSBRTCKWWYKSE-INIZCTEOSA-N 2 2 340.471 3.040 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnc3c(C)cccn23)[nH+]1 ZINC001319707438 1386261135 /nfs/dbraw/zinc/26/11/35/1386261135.db2.gz ROPKWIYMPXJJDD-QGZVFWFLSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnc3c(C)cccn23)[nH+]1 ZINC001319707438 1386261139 /nfs/dbraw/zinc/26/11/39/1386261139.db2.gz ROPKWIYMPXJJDD-QGZVFWFLSA-N 2 2 335.455 3.423 20 0 EGADLP CCC(CC)n1nccc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319879796 1386355498 /nfs/dbraw/zinc/35/54/98/1386355498.db2.gz RKRNUFZWXTYJSY-UHFFFAOYSA-N 2 2 338.415 3.386 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178995604 1386370669 /nfs/dbraw/zinc/37/06/69/1386370669.db2.gz JBCUPSHMFPIGRR-ZFWWWQNUSA-N 2 2 328.460 3.192 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179097577 1386399796 /nfs/dbraw/zinc/39/97/96/1386399796.db2.gz MZCQWFTVHBZNDQ-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179621578 1386534026 /nfs/dbraw/zinc/53/40/26/1386534026.db2.gz ACBTVBNCQLVFIN-IGUGLUJZSA-N 2 2 332.492 3.160 20 0 EGADLP C[C@H](CC(=O)NCCCCCC[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001179705752 1386560635 /nfs/dbraw/zinc/56/06/35/1386560635.db2.gz MHZQRIUQWRKKNZ-GOSISDBHSA-N 2 2 342.487 3.301 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902967 1386622994 /nfs/dbraw/zinc/62/29/94/1386622994.db2.gz VJXBWMFONMTLCE-KRWDZBQOSA-N 2 2 342.487 3.288 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001180065188 1386685075 /nfs/dbraw/zinc/68/50/75/1386685075.db2.gz JKLUSINKEJXVMX-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180064945 1386685404 /nfs/dbraw/zinc/68/54/04/1386685404.db2.gz AZRITBOWUDXEJJ-UHFFFAOYSA-N 2 2 346.519 3.119 20 0 EGADLP Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]c2ccccc12 ZINC001321955825 1387017655 /nfs/dbraw/zinc/01/76/55/1387017655.db2.gz IVLLXYVMEFTXDV-MRXNPFEDSA-N 2 2 325.456 3.456 20 0 EGADLP CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001181820451 1387060396 /nfs/dbraw/zinc/06/03/96/1387060396.db2.gz OBCIEGPPYDPPJJ-WSTZPKSXSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001181884695 1387070503 /nfs/dbraw/zinc/07/05/03/1387070503.db2.gz JNXPZVPXRWVJPH-OXQOHEQNSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCOc1ccc(F)cc1 ZINC001322847176 1387245907 /nfs/dbraw/zinc/24/59/07/1387245907.db2.gz QXTAKANOLPQGIU-UHFFFAOYSA-N 2 2 340.358 3.122 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001329658507 1389198343 /nfs/dbraw/zinc/19/83/43/1389198343.db2.gz FQAICAAVBMRHIR-AWEZNQCLSA-N 2 2 347.434 3.031 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001329658507 1389198345 /nfs/dbraw/zinc/19/83/45/1389198345.db2.gz FQAICAAVBMRHIR-AWEZNQCLSA-N 2 2 347.434 3.031 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001329658508 1389198437 /nfs/dbraw/zinc/19/84/37/1389198437.db2.gz FQAICAAVBMRHIR-CQSZACIVSA-N 2 2 347.434 3.031 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001329658508 1389198438 /nfs/dbraw/zinc/19/84/38/1389198438.db2.gz FQAICAAVBMRHIR-CQSZACIVSA-N 2 2 347.434 3.031 20 0 EGADLP CC[NH+](CC)C1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC001331890090 1389898964 /nfs/dbraw/zinc/89/89/64/1389898964.db2.gz GBSSOQHCKLVFJT-UHFFFAOYSA-N 2 2 339.487 3.399 20 0 EGADLP CC[NH+](CC)C1CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC001331890090 1389898966 /nfs/dbraw/zinc/89/89/66/1389898966.db2.gz GBSSOQHCKLVFJT-UHFFFAOYSA-N 2 2 339.487 3.399 20 0 EGADLP [NH3+]CC1(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC001333750480 1390392297 /nfs/dbraw/zinc/39/22/97/1390392297.db2.gz MHGJUUWIGWYJEK-GOSISDBHSA-N 2 2 340.471 3.040 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c(OC)c1 ZINC001341567794 1390503858 /nfs/dbraw/zinc/50/38/58/1390503858.db2.gz LHOFJGJZTYZCLZ-QGZVFWFLSA-N 2 2 341.455 3.484 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629113 1390511749 /nfs/dbraw/zinc/51/17/49/1390511749.db2.gz AYCWKUOYHFXJTC-GXTWGEPZSA-N 2 2 338.521 3.077 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629113 1390511750 /nfs/dbraw/zinc/51/17/50/1390511750.db2.gz AYCWKUOYHFXJTC-GXTWGEPZSA-N 2 2 338.521 3.077 20 0 EGADLP C[NH2+][C@@H](C)CC[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001345106009 1390837920 /nfs/dbraw/zinc/83/79/20/1390837920.db2.gz VEDDTBBNYNKKDM-AWEZNQCLSA-N 2 2 334.895 3.289 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CCCC2)c1 ZINC001698805970 1406487234 /nfs/dbraw/zinc/48/72/34/1406487234.db2.gz BFMFIGKVJCOZII-INIZCTEOSA-N 2 2 340.471 3.040 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnn(C(C)(C)C)c2)[nH+]1 ZINC001350357500 1391452904 /nfs/dbraw/zinc/45/29/04/1391452904.db2.gz DSLLKGDRVIOQIG-KRWDZBQOSA-N 2 2 327.476 3.418 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnn(C(C)(C)C)c2)[nH+]1 ZINC001350357500 1391452905 /nfs/dbraw/zinc/45/29/05/1391452905.db2.gz DSLLKGDRVIOQIG-KRWDZBQOSA-N 2 2 327.476 3.418 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+]C[C@H](C)CC(C)C)C3)ccn12 ZINC001480138587 1392598837 /nfs/dbraw/zinc/59/88/37/1392598837.db2.gz IJEICTUDMMHZIP-ZTFGCOKTSA-N 2 2 342.487 3.175 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001480804949 1392944530 /nfs/dbraw/zinc/94/45/30/1392944530.db2.gz IWCLRMLIUPPULW-OLZOCXBDSA-N 2 2 348.878 3.160 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001481042382 1393104182 /nfs/dbraw/zinc/10/41/82/1393104182.db2.gz GFRIGPQKCZAQAP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001481042382 1393104183 /nfs/dbraw/zinc/10/41/83/1393104183.db2.gz GFRIGPQKCZAQAP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001481042382 1393104184 /nfs/dbraw/zinc/10/41/84/1393104184.db2.gz GFRIGPQKCZAQAP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001481042382 1393104185 /nfs/dbraw/zinc/10/41/85/1393104185.db2.gz GFRIGPQKCZAQAP-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001492115339 1396305445 /nfs/dbraw/zinc/30/54/45/1396305445.db2.gz RYIVYUZZYJUFKM-QWHCGFSZSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1cccc(C)c1C[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001687481835 1396390729 /nfs/dbraw/zinc/39/07/29/1396390729.db2.gz TUSMBRVINAPRRU-UHFFFAOYSA-N 2 2 348.450 3.138 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001690027621 1404266205 /nfs/dbraw/zinc/26/62/05/1404266205.db2.gz SCSAQHNIMRVEBG-ZWKOTPCHSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193240 1404399220 /nfs/dbraw/zinc/39/92/20/1404399220.db2.gz XEDKYNGCRUUPCU-RBUKOAKNSA-N 2 2 348.535 3.126 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193240 1404399223 /nfs/dbraw/zinc/39/92/23/1404399223.db2.gz XEDKYNGCRUUPCU-RBUKOAKNSA-N 2 2 348.535 3.126 20 0 EGADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001690855912 1404778902 /nfs/dbraw/zinc/77/89/02/1404778902.db2.gz AJCQUVZRHSKVCW-HUUCEWRRSA-N 2 2 348.878 3.172 20 0 EGADLP C[C@@H](CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001690980829 1404892204 /nfs/dbraw/zinc/89/22/04/1404892204.db2.gz ULSCTTUEOIPJLG-GJZGRUSLSA-N 2 2 348.878 3.297 20 0 EGADLP C[C@@H](CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001690980829 1404892210 /nfs/dbraw/zinc/89/22/10/1404892210.db2.gz ULSCTTUEOIPJLG-GJZGRUSLSA-N 2 2 348.878 3.297 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691864072 1405581832 /nfs/dbraw/zinc/58/18/32/1405581832.db2.gz FRKLIBNJBMPLGJ-KRWDZBQOSA-N 2 2 334.508 3.091 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691864072 1405581835 /nfs/dbraw/zinc/58/18/35/1405581835.db2.gz FRKLIBNJBMPLGJ-KRWDZBQOSA-N 2 2 334.508 3.091 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001732072448 1428321505 /nfs/dbraw/zinc/32/15/05/1428321505.db2.gz DLVBJCBWFVATAH-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001732072448 1428321507 /nfs/dbraw/zinc/32/15/07/1428321507.db2.gz DLVBJCBWFVATAH-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC001732311075 1428524113 /nfs/dbraw/zinc/52/41/13/1428524113.db2.gz KSVZEXMYUZAGRW-WDSOQIARSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001700182087 1413596961 /nfs/dbraw/zinc/59/69/61/1413596961.db2.gz NKZAGCVVYOOYEN-RTBURBONSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001700182087 1413596963 /nfs/dbraw/zinc/59/69/63/1413596963.db2.gz NKZAGCVVYOOYEN-RTBURBONSA-N 2 2 348.535 3.316 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)c1 ZINC001733005409 1429126154 /nfs/dbraw/zinc/12/61/54/1429126154.db2.gz OEBYXFYZZXBTTA-HOTGVXAUSA-N 2 2 336.439 3.112 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713327520 1417952364 /nfs/dbraw/zinc/95/23/64/1417952364.db2.gz PJPDAZLOXPJTGV-IRXDYDNUSA-N 2 2 342.487 3.262 20 0 EGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCc1cccs1 ZINC001713489275 1418187253 /nfs/dbraw/zinc/18/72/53/1418187253.db2.gz OKFLQIYIGQFDLR-UHFFFAOYSA-N 2 2 345.512 3.363 20 0 EGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CCc1cccs1 ZINC001713489275 1418187255 /nfs/dbraw/zinc/18/72/55/1418187255.db2.gz OKFLQIYIGQFDLR-UHFFFAOYSA-N 2 2 345.512 3.363 20 0 EGADLP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713754336 1418557191 /nfs/dbraw/zinc/55/71/91/1418557191.db2.gz FMHCAGPCUKRMLE-KRWDZBQOSA-N 2 2 340.471 3.066 20 0 EGADLP CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713754336 1418557192 /nfs/dbraw/zinc/55/71/92/1418557192.db2.gz FMHCAGPCUKRMLE-KRWDZBQOSA-N 2 2 340.471 3.066 20 0 EGADLP CC[C@H](C(=O)NC1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](CC)CC ZINC001713840525 1418637952 /nfs/dbraw/zinc/63/79/52/1418637952.db2.gz XZYCFVGZMWCBIJ-RBUKOAKNSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548877 1419275490 /nfs/dbraw/zinc/27/54/90/1419275490.db2.gz UJQGLAQQQSMISV-CVEARBPZSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548877 1419275493 /nfs/dbraw/zinc/27/54/93/1419275493.db2.gz UJQGLAQQQSMISV-CVEARBPZSA-N 2 2 342.487 3.441 20 0 EGADLP CC[C@@H](C)C[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001714665906 1419453796 /nfs/dbraw/zinc/45/37/96/1419453796.db2.gz FNRKWWJOWFHECC-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001714665906 1419453797 /nfs/dbraw/zinc/45/37/97/1419453797.db2.gz FNRKWWJOWFHECC-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001715097635 1419838264 /nfs/dbraw/zinc/83/82/64/1419838264.db2.gz NAJAUQQVJWAIDV-UHFFFAOYSA-N 2 2 342.487 3.403 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001715233986 1419965579 /nfs/dbraw/zinc/96/55/79/1419965579.db2.gz OHHFGZMANUZMHX-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC001715233986 1419965581 /nfs/dbraw/zinc/96/55/81/1419965581.db2.gz OHHFGZMANUZMHX-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[N@H+](CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1)CC1CC1 ZINC001715482056 1420161253 /nfs/dbraw/zinc/16/12/53/1420161253.db2.gz KTFFKLKRBPXCQM-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1)CC1CC1 ZINC001715482056 1420161256 /nfs/dbraw/zinc/16/12/56/1420161256.db2.gz KTFFKLKRBPXCQM-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715588549 1420262002 /nfs/dbraw/zinc/26/20/02/1420262002.db2.gz PTSPQJHQLXRJKH-SFHVURJKSA-N 2 2 348.535 3.289 20 0 EGADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715588549 1420262005 /nfs/dbraw/zinc/26/20/05/1420262005.db2.gz PTSPQJHQLXRJKH-SFHVURJKSA-N 2 2 348.535 3.289 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716243077 1420578971 /nfs/dbraw/zinc/57/89/71/1420578971.db2.gz WOGVTNOYLCLHQW-QZTJIDSGSA-N 2 2 342.487 3.342 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716243079 1420579117 /nfs/dbraw/zinc/57/91/17/1420579117.db2.gz WOGVTNOYLCLHQW-ZWKOTPCHSA-N 2 2 342.487 3.342 20 0 EGADLP CC1(CNC(=O)CCn2cc[nH+]c2)CC[NH+](CC2CCCCC2)CC1 ZINC001716885962 1421009618 /nfs/dbraw/zinc/00/96/18/1421009618.db2.gz KRLNSWWSSNHOQM-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001724016193 1424630102 /nfs/dbraw/zinc/63/01/02/1424630102.db2.gz KXOKPVUDWZHFBF-QGZVFWFLSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC1CCCCCC1 ZINC001725001337 1425410973 /nfs/dbraw/zinc/41/09/73/1425410973.db2.gz HHZBLIZMZPIDAR-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC1CCCCCC1 ZINC001725001337 1425410978 /nfs/dbraw/zinc/41/09/78/1425410978.db2.gz HHZBLIZMZPIDAR-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001725254845 1425878095 /nfs/dbraw/zinc/87/80/95/1425878095.db2.gz JBVUXRBLPJAACS-CVEARBPZSA-N 2 2 342.487 3.067 20 0 EGADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731387732 1427336396 /nfs/dbraw/zinc/33/63/96/1427336396.db2.gz NSIAJWRCWRIRGS-UHFFFAOYSA-N 2 2 348.535 3.482 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734337150 1438058688 /nfs/dbraw/zinc/05/86/88/1438058688.db2.gz XZURRNWGHXZAAK-HOTGVXAUSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734337149 1438058806 /nfs/dbraw/zinc/05/88/06/1438058806.db2.gz XZURRNWGHXZAAK-CVEARBPZSA-N 2 2 330.476 3.067 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001752310556 1440169867 /nfs/dbraw/zinc/16/98/67/1440169867.db2.gz QNGBCQWVWYXJNJ-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001752323949 1440170826 /nfs/dbraw/zinc/17/08/26/1440170826.db2.gz QRVKZHVDXWNXNP-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001752323949 1440170827 /nfs/dbraw/zinc/17/08/27/1440170827.db2.gz QRVKZHVDXWNXNP-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752515576 1440191116 /nfs/dbraw/zinc/19/11/16/1440191116.db2.gz AOUOQQFHXKNXTQ-ZWKOTPCHSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752515576 1440191117 /nfs/dbraw/zinc/19/11/17/1440191117.db2.gz AOUOQQFHXKNXTQ-ZWKOTPCHSA-N 2 2 334.508 3.051 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834411 1440227130 /nfs/dbraw/zinc/22/71/30/1440227130.db2.gz RPAPHPZFIGUDKW-IFEVLTCRSA-N 2 2 344.503 3.154 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834411 1440227131 /nfs/dbraw/zinc/22/71/31/1440227131.db2.gz RPAPHPZFIGUDKW-IFEVLTCRSA-N 2 2 344.503 3.154 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837129 1440228351 /nfs/dbraw/zinc/22/83/51/1440228351.db2.gz RBBPBQXJSCQLIY-DLBZAZTESA-N 2 2 347.503 3.040 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837129 1440228352 /nfs/dbraw/zinc/22/83/52/1440228352.db2.gz RBBPBQXJSCQLIY-DLBZAZTESA-N 2 2 347.503 3.040 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752944734 1440251278 /nfs/dbraw/zinc/25/12/78/1440251278.db2.gz XWFYVLMQTPSRCO-AWFCHZOYSA-N 2 2 340.471 3.361 20 0 EGADLP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999092 1440263795 /nfs/dbraw/zinc/26/37/95/1440263795.db2.gz SDBWWZVCXBDWHC-OSFIAYCASA-N 2 2 332.492 3.113 20 0 EGADLP CC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752999092 1440263796 /nfs/dbraw/zinc/26/37/96/1440263796.db2.gz SDBWWZVCXBDWHC-OSFIAYCASA-N 2 2 332.492 3.113 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(C)c1 ZINC001753091030 1440298970 /nfs/dbraw/zinc/29/89/70/1440298970.db2.gz GNSQZJJUDODLKL-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(C)c1 ZINC001753091030 1440298971 /nfs/dbraw/zinc/29/89/71/1440298971.db2.gz GNSQZJJUDODLKL-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1cccc(C)c1 ZINC001753091030 1440298972 /nfs/dbraw/zinc/29/89/72/1440298972.db2.gz GNSQZJJUDODLKL-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1cccc(C)c1 ZINC001753091030 1440298973 /nfs/dbraw/zinc/29/89/73/1440298973.db2.gz GNSQZJJUDODLKL-IAGOWNOFSA-N 2 2 342.487 3.096 20 0 EGADLP Cc1cc(C[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c(C)s1 ZINC001753201545 1440338417 /nfs/dbraw/zinc/33/84/17/1440338417.db2.gz GRECVDGXHQBHET-UHFFFAOYSA-N 2 2 342.468 3.103 20 0 EGADLP O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001753330695 1440369307 /nfs/dbraw/zinc/36/93/07/1440369307.db2.gz MGDRNGRCJBOCRI-QGZVFWFLSA-N 2 2 348.450 3.205 20 0 EGADLP O=C(NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001753330695 1440369308 /nfs/dbraw/zinc/36/93/08/1440369308.db2.gz MGDRNGRCJBOCRI-QGZVFWFLSA-N 2 2 348.450 3.205 20 0 EGADLP CC(C)C[C@@H](C(=O)NC1C[NH+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001753379983 1440387733 /nfs/dbraw/zinc/38/77/33/1440387733.db2.gz MJXLSNPAWISCQD-IBGZPJMESA-N 2 2 346.519 3.241 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753458550 1440409555 /nfs/dbraw/zinc/40/95/55/1440409555.db2.gz ILMVZDSQWBCDOS-MJGOQNOKSA-N 2 2 344.503 3.257 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753458550 1440409556 /nfs/dbraw/zinc/40/95/56/1440409556.db2.gz ILMVZDSQWBCDOS-MJGOQNOKSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@H](CC(=O)N[C@@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1)n1cc[nH+]c1 ZINC001753525296 1440429481 /nfs/dbraw/zinc/42/94/81/1440429481.db2.gz WOUVQRNKYOUNRF-QRWLVFNGSA-N 2 2 346.519 3.145 20 0 EGADLP CC(C)(C)CC[NH2+]CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001753576547 1440439387 /nfs/dbraw/zinc/43/93/87/1440439387.db2.gz BORRPZBDNAPTJC-UHFFFAOYSA-N 2 2 348.535 3.342 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2CC[NH+](CC3CC3)CC2)c(C)[nH+]1 ZINC001753596645 1440444902 /nfs/dbraw/zinc/44/49/02/1440444902.db2.gz CXQLRVNGUCATJS-UHFFFAOYSA-N 2 2 329.488 3.249 20 0 EGADLP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753704429 1440469148 /nfs/dbraw/zinc/46/91/48/1440469148.db2.gz CBPOZDFTIWFMQH-OSJSJHBBSA-N 2 2 340.471 3.279 20 0 EGADLP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753715157 1440471621 /nfs/dbraw/zinc/47/16/21/1440471621.db2.gz RHYABUSYCPRTOB-DLBZAZTESA-N 2 2 342.487 3.033 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001753766897 1440484930 /nfs/dbraw/zinc/48/49/30/1440484930.db2.gz LJAZAQCTXZXGDB-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001754271835 1440561486 /nfs/dbraw/zinc/56/14/86/1440561486.db2.gz HAQQOFGFOZFWRK-WMZOPIPTSA-N 2 2 346.519 3.145 20 0 EGADLP C[C@H](C[N@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001754328780 1440582300 /nfs/dbraw/zinc/58/23/00/1440582300.db2.gz RRAVJDFUSDCUHG-KLAILNCOSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@H](C[N@@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001754328780 1440582301 /nfs/dbraw/zinc/58/23/01/1440582301.db2.gz RRAVJDFUSDCUHG-KLAILNCOSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001754453572 1440601791 /nfs/dbraw/zinc/60/17/91/1440601791.db2.gz AYQLYIQPJJGWKD-MRXNPFEDSA-N 2 2 342.487 3.259 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001754828549 1440693932 /nfs/dbraw/zinc/69/39/32/1440693932.db2.gz MPHGNMIMMWTJGB-MSOLQXFVSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001754830123 1440694554 /nfs/dbraw/zinc/69/45/54/1440694554.db2.gz FQENACPSWYLIIH-PTCNXXMMSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001754830123 1440694555 /nfs/dbraw/zinc/69/45/55/1440694555.db2.gz FQENACPSWYLIIH-PTCNXXMMSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001754830123 1440694556 /nfs/dbraw/zinc/69/45/56/1440694556.db2.gz FQENACPSWYLIIH-PTCNXXMMSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001754830123 1440694557 /nfs/dbraw/zinc/69/45/57/1440694557.db2.gz FQENACPSWYLIIH-PTCNXXMMSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364816 1440833786 /nfs/dbraw/zinc/83/37/86/1440833786.db2.gz YWISCZLDXDSZAO-OAJJDEHYSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364816 1440833787 /nfs/dbraw/zinc/83/37/87/1440833787.db2.gz YWISCZLDXDSZAO-OAJJDEHYSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364816 1440833788 /nfs/dbraw/zinc/83/37/88/1440833788.db2.gz YWISCZLDXDSZAO-OAJJDEHYSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C/CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364816 1440833789 /nfs/dbraw/zinc/83/37/89/1440833789.db2.gz YWISCZLDXDSZAO-OAJJDEHYSA-N 2 2 332.492 3.059 20 0 EGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C\c1ccccc1 ZINC001755593385 1440882090 /nfs/dbraw/zinc/88/20/90/1440882090.db2.gz WOGHFRDRYWDNQW-CXOKCQFOSA-N 2 2 348.450 3.326 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]3C)ccn12 ZINC001755652904 1440891505 /nfs/dbraw/zinc/89/15/05/1440891505.db2.gz DBBCMFQRASROMM-NVXWUHKLSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCC(C)(C)C)[C@H]3C)ccn12 ZINC001755652905 1440891524 /nfs/dbraw/zinc/89/15/24/1440891524.db2.gz DBBCMFQRASROMM-WBVHZDCISA-N 2 2 342.487 3.272 20 0 EGADLP CC(C)C[N@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001755814109 1440922133 /nfs/dbraw/zinc/92/21/33/1440922133.db2.gz OXFAFXQQCRUGIY-UHFFFAOYSA-N 2 2 342.487 3.311 20 0 EGADLP CC(C)C[N@@H+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001755814109 1440922134 /nfs/dbraw/zinc/92/21/34/1440922134.db2.gz OXFAFXQQCRUGIY-UHFFFAOYSA-N 2 2 342.487 3.311 20 0 EGADLP CCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164629905 719087484 /nfs/dbraw/zinc/08/74/84/719087484.db2.gz UCSPCAAPORNWDB-ICSRJNTNSA-N 2 2 336.483 3.448 20 0 EGADLP CCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164629905 719087487 /nfs/dbraw/zinc/08/74/87/719087487.db2.gz UCSPCAAPORNWDB-ICSRJNTNSA-N 2 2 336.483 3.448 20 0 EGADLP COc1ccc2[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)cc(C)c2c1 ZINC001164774197 721287979 /nfs/dbraw/zinc/28/79/79/721287979.db2.gz XVCHWPKQJJXCQF-UHFFFAOYSA-N 2 2 337.467 3.474 20 0 EGADLP COc1ccc2[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)cc(C)c2c1 ZINC001164774197 721287984 /nfs/dbraw/zinc/28/79/84/721287984.db2.gz XVCHWPKQJJXCQF-UHFFFAOYSA-N 2 2 337.467 3.474 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000364831962 282079557 /nfs/dbraw/zinc/07/95/57/282079557.db2.gz WITJDSGJXGVNPV-IRXDYDNUSA-N 2 2 337.471 3.394 20 0 EGADLP O[C@@H](c1[nH]cc[nH+]1)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000369082552 168398991 /nfs/dbraw/zinc/39/89/91/168398991.db2.gz FUEAGDWADJVHCZ-QGZVFWFLSA-N 2 2 326.375 3.047 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000359515100 282958820 /nfs/dbraw/zinc/95/88/20/282958820.db2.gz RCUPYJXSJQDENZ-OAHLLOKOSA-N 2 2 327.241 3.261 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@@H+]1C1CC1 ZINC000177939904 232037819 /nfs/dbraw/zinc/03/78/19/232037819.db2.gz FLKYDXBSUUKNPL-GQWAEJPESA-N 2 2 328.456 3.124 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@H+]1C1CC1 ZINC000177939904 232037822 /nfs/dbraw/zinc/03/78/22/232037822.db2.gz FLKYDXBSUUKNPL-GQWAEJPESA-N 2 2 328.456 3.124 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000178657923 232347962 /nfs/dbraw/zinc/34/79/62/232347962.db2.gz NKOVSHURAVMNMK-KGLIPLIRSA-N 2 2 326.444 3.219 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000181594258 234244774 /nfs/dbraw/zinc/24/47/74/234244774.db2.gz RNLAXHUDJKVING-HZPDHXFCSA-N 2 2 327.476 3.174 20 0 EGADLP FC(F)O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337567965 282941704 /nfs/dbraw/zinc/94/17/04/282941704.db2.gz ZNCYOWNKSLPCKX-RYUDHWBXSA-N 2 2 330.341 3.153 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCCO2 ZINC000152752618 283006110 /nfs/dbraw/zinc/00/61/10/283006110.db2.gz DDWMOMSOCXMZTL-QGZVFWFLSA-N 2 2 329.419 3.405 20 0 EGADLP Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515306 235119711 /nfs/dbraw/zinc/11/97/11/235119711.db2.gz HCACYEGNDYSXEI-ZBFHGGJFSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515306 235119714 /nfs/dbraw/zinc/11/97/14/235119714.db2.gz HCACYEGNDYSXEI-ZBFHGGJFSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187671058 236273013 /nfs/dbraw/zinc/27/30/13/236273013.db2.gz YRXWWBBSSJULLZ-IBGZPJMESA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187671058 236273016 /nfs/dbraw/zinc/27/30/16/236273016.db2.gz YRXWWBBSSJULLZ-IBGZPJMESA-N 2 2 338.455 3.422 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000130446601 223153405 /nfs/dbraw/zinc/15/34/05/223153405.db2.gz XPKNIISKKILINS-UHFFFAOYSA-N 2 2 336.439 3.305 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[NH+](Cc4cccs4)CC3)cn2c1 ZINC000023248748 212363925 /nfs/dbraw/zinc/36/39/25/212363925.db2.gz MLBYEOSHMBAIDF-UHFFFAOYSA-N 2 2 326.469 3.022 20 0 EGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3csc(C[NH3+])n3)c2C1 ZINC000236721476 242333865 /nfs/dbraw/zinc/33/38/65/242333865.db2.gz FELMPSUZPGSMRA-UHFFFAOYSA-N 2 2 344.484 3.216 20 0 EGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3csc(C[NH3+])n3)c2C1 ZINC000236721476 242333869 /nfs/dbraw/zinc/33/38/69/242333869.db2.gz FELMPSUZPGSMRA-UHFFFAOYSA-N 2 2 344.484 3.216 20 0 EGADLP c1ccc2[nH+]c(CCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)[nH]c2c1 ZINC000245630149 243137403 /nfs/dbraw/zinc/13/74/03/243137403.db2.gz SEGLAUHYNZPLEY-GDIGMMSISA-N 2 2 325.456 3.433 20 0 EGADLP CC(C)C[C@](C)(C[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262579782 245042431 /nfs/dbraw/zinc/04/24/31/245042431.db2.gz LMPOMIYMMRJKRY-LJQANCHMSA-N 2 2 327.428 3.367 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000078599445 217082627 /nfs/dbraw/zinc/08/26/27/217082627.db2.gz RTMCVRCWFXUUSL-QGZVFWFLSA-N 2 2 339.483 3.413 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000078599445 217082629 /nfs/dbraw/zinc/08/26/29/217082629.db2.gz RTMCVRCWFXUUSL-QGZVFWFLSA-N 2 2 339.483 3.413 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111243093 220121321 /nfs/dbraw/zinc/12/13/21/220121321.db2.gz HPSSJCANHHGLMN-UHFFFAOYSA-N 2 2 326.444 3.282 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000264193336 246165773 /nfs/dbraw/zinc/16/57/73/246165773.db2.gz NZXHPCJNUNPKGL-SFHVURJKSA-N 2 2 338.455 3.373 20 0 EGADLP CC1CC[NH+](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000264919325 247045736 /nfs/dbraw/zinc/04/57/36/247045736.db2.gz REMOBRCSBVRITK-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCCC1 ZINC000264905609 247030425 /nfs/dbraw/zinc/03/04/25/247030425.db2.gz LMBZFNJBMSXMDX-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337431 169012043 /nfs/dbraw/zinc/01/20/43/169012043.db2.gz MVABWAWBBKCCBR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337431 169012045 /nfs/dbraw/zinc/01/20/45/169012045.db2.gz MVABWAWBBKCCBR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337431 169012046 /nfs/dbraw/zinc/01/20/46/169012046.db2.gz MVABWAWBBKCCBR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337431 169012048 /nfs/dbraw/zinc/01/20/48/169012048.db2.gz MVABWAWBBKCCBR-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000377544657 169039148 /nfs/dbraw/zinc/03/91/48/169039148.db2.gz VMXIUWGCGKZYGZ-RTBURBONSA-N 3 2 345.531 3.144 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000378614769 169147080 /nfs/dbraw/zinc/14/70/80/169147080.db2.gz FBUAGLHTPTXMAP-CQSZACIVSA-N 2 2 335.411 3.077 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)c[nH+]1 ZINC000092659225 218157909 /nfs/dbraw/zinc/15/79/09/218157909.db2.gz BWHDKICWQYAHNY-UHFFFAOYSA-N 2 2 335.411 3.303 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000093132855 218195938 /nfs/dbraw/zinc/19/59/38/218195938.db2.gz WVNBPQPXUNMCDH-KRWDZBQOSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000093132855 218195939 /nfs/dbraw/zinc/19/59/39/218195939.db2.gz WVNBPQPXUNMCDH-KRWDZBQOSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093693254 218241711 /nfs/dbraw/zinc/24/17/11/218241711.db2.gz LQGRTDCARPXRCZ-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093693254 218241714 /nfs/dbraw/zinc/24/17/14/218241714.db2.gz LQGRTDCARPXRCZ-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093692980 218242545 /nfs/dbraw/zinc/24/25/45/218242545.db2.gz HYOAVNDNRHQSIT-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093692980 218242547 /nfs/dbraw/zinc/24/25/47/218242547.db2.gz HYOAVNDNRHQSIT-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP Cn1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c(C(C)(C)C)n1 ZINC000093965933 218258149 /nfs/dbraw/zinc/25/81/49/218258149.db2.gz YUTNPNWDQYTQMX-UHFFFAOYSA-N 2 2 339.487 3.327 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385078 251006385 /nfs/dbraw/zinc/00/63/85/251006385.db2.gz BIGXQDVXTQBEJW-BBRMVZONSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385078 251006389 /nfs/dbraw/zinc/00/63/89/251006389.db2.gz BIGXQDVXTQBEJW-BBRMVZONSA-N 2 2 344.846 3.048 20 0 EGADLP O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000268770053 252220249 /nfs/dbraw/zinc/22/02/49/252220249.db2.gz XXGDITCOWJJPOH-UHFFFAOYSA-N 2 2 348.450 3.250 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCCC2)cc1 ZINC000154201052 533184605 /nfs/dbraw/zinc/18/46/05/533184605.db2.gz HAQUEIXPUHVVKD-DSKINZAPSA-N 2 2 345.531 3.295 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCCC2)cc1 ZINC000154201052 533184609 /nfs/dbraw/zinc/18/46/09/533184609.db2.gz HAQUEIXPUHVVKD-DSKINZAPSA-N 2 2 345.531 3.295 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCSCC1 ZINC000131086055 533333464 /nfs/dbraw/zinc/33/34/64/533333464.db2.gz NXYSEBXACRCDLV-INIZCTEOSA-N 2 2 347.528 3.048 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[nH+]1 ZINC000193964232 285536411 /nfs/dbraw/zinc/53/64/11/285536411.db2.gz CUNRYKLPVLUAFD-MISYRCLQSA-N 2 2 337.467 3.021 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(NC(N)=O)cc1 ZINC000237438597 141002549 /nfs/dbraw/zinc/00/25/49/141002549.db2.gz KBBMEDZIIJWVLQ-CQSZACIVSA-N 2 2 335.411 3.214 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@@H+]1C1CC1 ZINC000246902248 141042508 /nfs/dbraw/zinc/04/25/08/141042508.db2.gz FLKYDXBSUUKNPL-PSGMQZRDSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@H+]1C1CC1 ZINC000246902248 141042510 /nfs/dbraw/zinc/04/25/10/141042510.db2.gz FLKYDXBSUUKNPL-PSGMQZRDSA-N 2 2 328.456 3.124 20 0 EGADLP CCc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246992991 141047541 /nfs/dbraw/zinc/04/75/41/141047541.db2.gz WLVQKSYOAMCCOP-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246992991 141047543 /nfs/dbraw/zinc/04/75/43/141047543.db2.gz WLVQKSYOAMCCOP-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246992991 141047545 /nfs/dbraw/zinc/04/75/45/141047545.db2.gz WLVQKSYOAMCCOP-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246992991 141047547 /nfs/dbraw/zinc/04/75/47/141047547.db2.gz WLVQKSYOAMCCOP-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000268852780 141059192 /nfs/dbraw/zinc/05/91/92/141059192.db2.gz PNDJGGKZORJDDE-WBVHZDCISA-N 2 2 343.471 3.026 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000268852780 141059193 /nfs/dbraw/zinc/05/91/93/141059193.db2.gz PNDJGGKZORJDDE-WBVHZDCISA-N 2 2 343.471 3.026 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000338367709 141109253 /nfs/dbraw/zinc/10/92/53/141109253.db2.gz VLBIORUIDOVTDE-GOSISDBHSA-N 2 2 340.515 3.477 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000338367709 141109254 /nfs/dbraw/zinc/10/92/54/141109254.db2.gz VLBIORUIDOVTDE-GOSISDBHSA-N 2 2 340.515 3.477 20 0 EGADLP c1c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nc2ccccn12 ZINC000346617465 141204988 /nfs/dbraw/zinc/20/49/88/141204988.db2.gz DIXFDEPASZSUGC-UHFFFAOYSA-N 2 2 343.434 3.205 20 0 EGADLP Cc1ccc([C@H](CNc2cc[nH+]c3ccccc23)[NH+]2CCOCC2)o1 ZINC000346617552 141205180 /nfs/dbraw/zinc/20/51/80/141205180.db2.gz GITNCGGYWQWHJS-IBGZPJMESA-N 2 2 337.423 3.044 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347910190 141214603 /nfs/dbraw/zinc/21/46/03/141214603.db2.gz JMRCJFGLTJKWKO-LSDHHAIUSA-N 2 2 325.522 3.230 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347910190 141214606 /nfs/dbraw/zinc/21/46/06/141214606.db2.gz JMRCJFGLTJKWKO-LSDHHAIUSA-N 2 2 325.522 3.230 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCc1c[nH+]ccc1C)O[C@@H](C)C2 ZINC000347913584 141215303 /nfs/dbraw/zinc/21/53/03/141215303.db2.gz ANCAIPIDOLZLLW-HNNXBMFYSA-N 2 2 326.440 3.444 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)s1 ZINC000347934416 141220847 /nfs/dbraw/zinc/22/08/47/141220847.db2.gz YIFCBALQTWGJEM-QGZVFWFLSA-N 2 2 345.512 3.038 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)s1 ZINC000347934416 141220848 /nfs/dbraw/zinc/22/08/48/141220848.db2.gz YIFCBALQTWGJEM-QGZVFWFLSA-N 2 2 345.512 3.038 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000348041562 141235823 /nfs/dbraw/zinc/23/58/23/141235823.db2.gz HUWLDBHICABBKZ-GOSISDBHSA-N 2 2 332.488 3.326 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000348041562 141235824 /nfs/dbraw/zinc/23/58/24/141235824.db2.gz HUWLDBHICABBKZ-GOSISDBHSA-N 2 2 332.488 3.326 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000348041562 141235825 /nfs/dbraw/zinc/23/58/25/141235825.db2.gz HUWLDBHICABBKZ-GOSISDBHSA-N 2 2 332.488 3.326 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000348041562 141235826 /nfs/dbraw/zinc/23/58/26/141235826.db2.gz HUWLDBHICABBKZ-GOSISDBHSA-N 2 2 332.488 3.326 20 0 EGADLP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000350515960 141251481 /nfs/dbraw/zinc/25/14/81/141251481.db2.gz PFULMVHCLDCNMN-OAHLLOKOSA-N 2 2 346.906 3.259 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000352935551 141272466 /nfs/dbraw/zinc/27/24/66/141272466.db2.gz ZMEFHDUDJZHCKH-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OCC ZINC000352935551 141272467 /nfs/dbraw/zinc/27/24/67/141272467.db2.gz ZMEFHDUDJZHCKH-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OCC ZINC000352935551 141272468 /nfs/dbraw/zinc/27/24/68/141272468.db2.gz ZMEFHDUDJZHCKH-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OCC ZINC000352935551 141272469 /nfs/dbraw/zinc/27/24/69/141272469.db2.gz ZMEFHDUDJZHCKH-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)C[C@@H](C)O1 ZINC000353357192 141294825 /nfs/dbraw/zinc/29/48/25/141294825.db2.gz WXARPIZGROXQIA-LFGUQSLTSA-N 2 2 348.531 3.224 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)c1OC ZINC000353452543 141299557 /nfs/dbraw/zinc/29/95/57/141299557.db2.gz ZXADBLNMOOYXTK-OAHLLOKOSA-N 2 2 343.471 3.438 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000359622289 141388481 /nfs/dbraw/zinc/38/84/81/141388481.db2.gz RHQMMTIPPDMJFW-HNNXBMFYSA-N 2 2 327.476 3.101 20 0 EGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000175100593 144057865 /nfs/dbraw/zinc/05/78/65/144057865.db2.gz LZMXVVYINYYJOZ-OAHLLOKOSA-N 2 2 335.492 3.077 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)cn1 ZINC000178412616 144070892 /nfs/dbraw/zinc/07/08/92/144070892.db2.gz VONANXNVBBIINV-CQSZACIVSA-N 2 2 334.423 3.361 20 0 EGADLP COCCn1c2ccccc2[nH+]c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000185850340 144120997 /nfs/dbraw/zinc/12/09/97/144120997.db2.gz BZSLRIXKVBGHPZ-UHFFFAOYSA-N 2 2 347.422 3.481 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265128 /nfs/dbraw/zinc/26/51/28/144265128.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 2 336.479 3.384 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265130 /nfs/dbraw/zinc/26/51/30/144265130.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 2 336.479 3.384 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265132 /nfs/dbraw/zinc/26/51/32/144265132.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 2 336.479 3.384 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440952 144265134 /nfs/dbraw/zinc/26/51/34/144265134.db2.gz JCSMMQWMHTYMEO-FQEVSTJZSA-N 2 2 336.479 3.384 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C3CC3)cc2)cs1 ZINC000351571645 144281646 /nfs/dbraw/zinc/28/16/46/144281646.db2.gz AGWYQICKLBRIEV-UGSOOPFHSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)cc2)cs1 ZINC000351571645 144281647 /nfs/dbraw/zinc/28/16/47/144281647.db2.gz AGWYQICKLBRIEV-UGSOOPFHSA-N 2 2 345.512 3.224 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572583 144281949 /nfs/dbraw/zinc/28/19/49/144281949.db2.gz FIRNLMDVFKKLSI-RXVVDRJESA-N 2 2 342.458 3.154 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572583 144281950 /nfs/dbraw/zinc/28/19/50/144281950.db2.gz FIRNLMDVFKKLSI-RXVVDRJESA-N 2 2 342.458 3.154 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000351877249 144319266 /nfs/dbraw/zinc/31/92/66/144319266.db2.gz BJAGOMCQQCPQOK-GUYCJALGSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000351877249 144319267 /nfs/dbraw/zinc/31/92/67/144319267.db2.gz BJAGOMCQQCPQOK-GUYCJALGSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000351877249 144319268 /nfs/dbraw/zinc/31/92/68/144319268.db2.gz BJAGOMCQQCPQOK-GUYCJALGSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000351877249 144319270 /nfs/dbraw/zinc/31/92/70/144319270.db2.gz BJAGOMCQQCPQOK-GUYCJALGSA-N 2 2 336.863 3.043 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CC3CC3)C3CCC3)c2cc1C ZINC000361578919 144331830 /nfs/dbraw/zinc/33/18/30/144331830.db2.gz AVDZYNFHPFCBOS-GOSISDBHSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CC3CC3)C3CCC3)c2cc1C ZINC000361578919 144331831 /nfs/dbraw/zinc/33/18/31/144331831.db2.gz AVDZYNFHPFCBOS-GOSISDBHSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000363755896 144363044 /nfs/dbraw/zinc/36/30/44/144363044.db2.gz GLGGQFQPYAIURX-WBVHZDCISA-N 2 2 340.471 3.384 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000341112653 155166342 /nfs/dbraw/zinc/16/63/42/155166342.db2.gz RJKWJCAMOQJCJA-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000341112653 155166343 /nfs/dbraw/zinc/16/63/43/155166343.db2.gz RJKWJCAMOQJCJA-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000341384632 155261817 /nfs/dbraw/zinc/26/18/17/155261817.db2.gz XFICHNNRVVESSN-PJPHBNEVSA-N 2 2 336.442 3.444 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000341384632 155261819 /nfs/dbraw/zinc/26/18/19/155261819.db2.gz XFICHNNRVVESSN-PJPHBNEVSA-N 2 2 336.442 3.444 20 0 EGADLP Cc1ccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c(C)c1 ZINC000119078788 152172706 /nfs/dbraw/zinc/17/27/06/152172706.db2.gz FNANYZYUTISHDX-UHFFFAOYSA-N 2 2 344.422 3.482 20 0 EGADLP FC(F)Oc1ccccc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000119798989 152228873 /nfs/dbraw/zinc/22/88/73/152228873.db2.gz GVPJOHQUPUTEIT-UHFFFAOYSA-N 2 2 347.409 3.437 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189127475 153052242 /nfs/dbraw/zinc/05/22/42/153052242.db2.gz YUXMUCJYTUNILP-UHFFFAOYSA-N 2 2 347.369 3.042 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189127475 153052247 /nfs/dbraw/zinc/05/22/47/153052247.db2.gz YUXMUCJYTUNILP-UHFFFAOYSA-N 2 2 347.369 3.042 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191464283 153197692 /nfs/dbraw/zinc/19/76/92/153197692.db2.gz ARDSQKMWYSXAEX-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000191464283 153197694 /nfs/dbraw/zinc/19/76/94/153197694.db2.gz ARDSQKMWYSXAEX-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP CC[NH+](CC)CCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191519850 153204036 /nfs/dbraw/zinc/20/40/36/153204036.db2.gz PDRYMYLBBNFCML-UHFFFAOYSA-N 3 2 332.536 3.352 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191519850 153204041 /nfs/dbraw/zinc/20/40/41/153204041.db2.gz PDRYMYLBBNFCML-UHFFFAOYSA-N 3 2 332.536 3.352 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270211 154023184 /nfs/dbraw/zinc/02/31/84/154023184.db2.gz HTEURVPQKRKOST-WCFLWFBJSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270211 154023188 /nfs/dbraw/zinc/02/31/88/154023188.db2.gz HTEURVPQKRKOST-WCFLWFBJSA-N 2 2 345.306 3.024 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305137566 154084116 /nfs/dbraw/zinc/08/41/16/154084116.db2.gz OYNDDJHOAGEHFW-ZDUSSCGKSA-N 2 2 339.549 3.246 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000305142346 154086125 /nfs/dbraw/zinc/08/61/25/154086125.db2.gz QPXPNQDASFWZTE-CYBMUJFWSA-N 2 2 325.522 3.072 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311562982 154149774 /nfs/dbraw/zinc/14/97/74/154149774.db2.gz YLTOIAXMZDDKNK-HXUWFJFHSA-N 2 2 346.478 3.484 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311562982 154149776 /nfs/dbraw/zinc/14/97/76/154149776.db2.gz YLTOIAXMZDDKNK-HXUWFJFHSA-N 2 2 346.478 3.484 20 0 EGADLP CCc1cccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000336724157 154211490 /nfs/dbraw/zinc/21/14/90/154211490.db2.gz IQFWPEHWCLMDRF-UHFFFAOYSA-N 2 2 325.456 3.039 20 0 EGADLP CCc1cccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000336724157 154211494 /nfs/dbraw/zinc/21/14/94/154211494.db2.gz IQFWPEHWCLMDRF-UHFFFAOYSA-N 2 2 325.456 3.039 20 0 EGADLP Cc1c[nH+]ccc1OC1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000336924187 154241021 /nfs/dbraw/zinc/24/10/21/154241021.db2.gz JTYHVKLNCQLUKO-UHFFFAOYSA-N 2 2 340.402 3.464 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)nn1C ZINC000337383406 154322525 /nfs/dbraw/zinc/32/25/25/154322525.db2.gz FYFUAJJZWASAHE-OAHLLOKOSA-N 2 2 330.451 3.183 20 0 EGADLP COCC[C@H]1CCC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000337495193 154381858 /nfs/dbraw/zinc/38/18/58/154381858.db2.gz YATUQYRCKAXVIB-RTBURBONSA-N 2 2 338.536 3.064 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNc1cc[nH+]cc1Br ZINC000339970556 155057604 /nfs/dbraw/zinc/05/76/04/155057604.db2.gz XUEGIOLVHFTQPE-UHFFFAOYSA-N 2 2 345.244 3.426 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000342789802 155530153 /nfs/dbraw/zinc/53/01/53/155530153.db2.gz YCXUMGHGHZRVDD-PMACEKPBSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000342789802 155530155 /nfs/dbraw/zinc/53/01/55/155530155.db2.gz YCXUMGHGHZRVDD-PMACEKPBSA-N 2 2 338.499 3.215 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346823571 156153328 /nfs/dbraw/zinc/15/33/28/156153328.db2.gz HGCJVZZYHXIKBU-YFVAEKQCSA-N 2 2 342.483 3.337 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000346823571 156153332 /nfs/dbraw/zinc/15/33/32/156153332.db2.gz HGCJVZZYHXIKBU-YFVAEKQCSA-N 2 2 342.483 3.337 20 0 EGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348963873 156302192 /nfs/dbraw/zinc/30/21/92/156302192.db2.gz JSLWQRNGUADQTJ-UHFFFAOYSA-N 3 2 346.544 3.288 20 0 EGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000348963873 156302195 /nfs/dbraw/zinc/30/21/95/156302195.db2.gz JSLWQRNGUADQTJ-UHFFFAOYSA-N 3 2 346.544 3.288 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1 ZINC000362085818 157016351 /nfs/dbraw/zinc/01/63/51/157016351.db2.gz IYDIENXQRBDUOK-LJQANCHMSA-N 2 2 338.455 3.425 20 0 EGADLP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664498 162020121 /nfs/dbraw/zinc/02/01/21/162020121.db2.gz OWPLJTSDWVUCML-MRXNPFEDSA-N 2 2 328.456 3.149 20 0 EGADLP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664498 162020123 /nfs/dbraw/zinc/02/01/23/162020123.db2.gz OWPLJTSDWVUCML-MRXNPFEDSA-N 2 2 328.456 3.149 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H]1C ZINC000354123839 165970191 /nfs/dbraw/zinc/97/01/91/165970191.db2.gz CZHREYIBILJAQD-DSLXNQLJSA-N 2 2 332.488 3.165 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125539214 162277635 /nfs/dbraw/zinc/27/76/35/162277635.db2.gz JSXCKHXFCBXELL-OAQYLSRUSA-N 3 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125539214 162277640 /nfs/dbraw/zinc/27/76/40/162277640.db2.gz JSXCKHXFCBXELL-OAQYLSRUSA-N 3 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125539214 162277645 /nfs/dbraw/zinc/27/76/45/162277645.db2.gz JSXCKHXFCBXELL-OAQYLSRUSA-N 3 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000125539214 162277650 /nfs/dbraw/zinc/27/76/50/162277650.db2.gz JSXCKHXFCBXELL-OAQYLSRUSA-N 3 2 340.515 3.426 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000248721482 163030444 /nfs/dbraw/zinc/03/04/44/163030444.db2.gz SSEFNHNVWOMPDO-FOIQADDNSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000248721482 163030446 /nfs/dbraw/zinc/03/04/46/163030446.db2.gz SSEFNHNVWOMPDO-FOIQADDNSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@@H+]1C ZINC000248926787 163047116 /nfs/dbraw/zinc/04/71/16/163047116.db2.gz GAQWAEWRBQVARI-XOKHGSTOSA-N 2 2 343.437 3.380 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@H+]1C ZINC000248926787 163047118 /nfs/dbraw/zinc/04/71/18/163047118.db2.gz GAQWAEWRBQVARI-XOKHGSTOSA-N 2 2 343.437 3.380 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337184942 163154872 /nfs/dbraw/zinc/15/48/72/163154872.db2.gz OMGZAMMMQNZSHW-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C[C@H](C)O1 ZINC000338774957 163345431 /nfs/dbraw/zinc/34/54/31/163345431.db2.gz MHTHCCKOABDUQK-ZFORQUDYSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C[C@H](C)O1 ZINC000338774957 163345432 /nfs/dbraw/zinc/34/54/32/163345432.db2.gz MHTHCCKOABDUQK-ZFORQUDYSA-N 2 2 345.531 3.475 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000343769080 164030925 /nfs/dbraw/zinc/03/09/25/164030925.db2.gz POBVJMRKPTXFFO-UHFFFAOYSA-N 2 2 343.393 3.083 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC000343769080 164030928 /nfs/dbraw/zinc/03/09/28/164030928.db2.gz POBVJMRKPTXFFO-UHFFFAOYSA-N 2 2 343.393 3.083 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)sc1Br ZINC000343815812 164041358 /nfs/dbraw/zinc/04/13/58/164041358.db2.gz ZMUCLNHTXXYOJI-JTQLQIEISA-N 2 2 328.279 3.441 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343816385 164041802 /nfs/dbraw/zinc/04/18/02/164041802.db2.gz NITIXRBTCHNRGO-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343816385 164041803 /nfs/dbraw/zinc/04/18/03/164041803.db2.gz NITIXRBTCHNRGO-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000343917670 164065676 /nfs/dbraw/zinc/06/56/76/164065676.db2.gz AXKOAYJCADFJKX-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000343917670 164065677 /nfs/dbraw/zinc/06/56/77/164065677.db2.gz AXKOAYJCADFJKX-QZTJIDSGSA-N 2 2 349.482 3.438 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCC2 ZINC000344034105 164087011 /nfs/dbraw/zinc/08/70/11/164087011.db2.gz NFCZDAKUXVRALD-IRXDYDNUSA-N 2 2 338.561 3.285 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000346070636 164330242 /nfs/dbraw/zinc/33/02/42/164330242.db2.gz QKJJNWDPGKYVMQ-UHFFFAOYSA-N 3 2 327.516 3.258 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000346155164 164351624 /nfs/dbraw/zinc/35/16/24/164351624.db2.gz GKKQWNOERPHMQG-YZGWKJHDSA-N 2 2 346.515 3.071 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000354877978 166053189 /nfs/dbraw/zinc/05/31/89/166053189.db2.gz ZGKBJAOSWSJKPM-MOPGFXCFSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000354877978 166053190 /nfs/dbraw/zinc/05/31/90/166053190.db2.gz ZGKBJAOSWSJKPM-MOPGFXCFSA-N 2 2 346.515 3.167 20 0 EGADLP COCc1nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cs1 ZINC000352365745 165364486 /nfs/dbraw/zinc/36/44/86/165364486.db2.gz WIHWDEQKQDTRNV-UHFFFAOYSA-N 2 2 333.457 3.036 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)nnn1-c1ccccc1 ZINC000355072872 166100279 /nfs/dbraw/zinc/10/02/79/166100279.db2.gz YGIDSFAZAIOETI-INIZCTEOSA-N 2 2 341.503 3.348 20 0 EGADLP CC[C@H](CC(F)(F)F)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000355138452 166115848 /nfs/dbraw/zinc/11/58/48/166115848.db2.gz WIKFNUIGNZDHSI-SNVBAGLBSA-N 2 2 336.321 3.353 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000355350148 166171713 /nfs/dbraw/zinc/17/17/13/166171713.db2.gz YCUDGGWBBVWHAM-IBGZPJMESA-N 2 2 346.434 3.300 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000355350148 166171717 /nfs/dbraw/zinc/17/17/17/166171717.db2.gz YCUDGGWBBVWHAM-IBGZPJMESA-N 2 2 346.434 3.300 20 0 EGADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000355654724 166273941 /nfs/dbraw/zinc/27/39/41/166273941.db2.gz SSAIPDJWQUFYBG-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000359037646 167046237 /nfs/dbraw/zinc/04/62/37/167046237.db2.gz GSKGICFIJDFLCV-MSOLQXFVSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000359037646 167046239 /nfs/dbraw/zinc/04/62/39/167046239.db2.gz GSKGICFIJDFLCV-MSOLQXFVSA-N 2 2 334.504 3.191 20 0 EGADLP CCCCn1cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(C)n1 ZINC000359314318 167123583 /nfs/dbraw/zinc/12/35/83/167123583.db2.gz CVOWUCFJLGGBBG-UHFFFAOYSA-N 2 2 341.503 3.141 20 0 EGADLP Cc1cc(Br)cn2cc(CNc3cc[nH+]cc3C)[nH+]c12 ZINC000359562788 167194372 /nfs/dbraw/zinc/19/43/72/167194372.db2.gz YMISKVWPGWQDHB-UHFFFAOYSA-N 2 2 331.217 3.143 20 0 EGADLP Clc1sc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000359663774 167205423 /nfs/dbraw/zinc/20/54/23/167205423.db2.gz NOAOEOORHMTDMW-QMMMGPOBSA-N 2 2 346.681 3.465 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250237 167282367 /nfs/dbraw/zinc/28/23/67/167282367.db2.gz OHSQGAMJGJDUHZ-XJKSGUPXSA-N 2 2 331.287 3.491 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552314 167355743 /nfs/dbraw/zinc/35/57/43/167355743.db2.gz NTIKMTATAXJRJN-HTAPYJJXSA-N 2 2 349.478 3.366 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552314 167355744 /nfs/dbraw/zinc/35/57/44/167355744.db2.gz NTIKMTATAXJRJN-HTAPYJJXSA-N 2 2 349.478 3.366 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360559283 167357838 /nfs/dbraw/zinc/35/78/38/167357838.db2.gz AXWJLHXMFHJQGA-QGZVFWFLSA-N 2 2 346.272 3.183 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360559283 167357840 /nfs/dbraw/zinc/35/78/40/167357840.db2.gz AXWJLHXMFHJQGA-QGZVFWFLSA-N 2 2 346.272 3.183 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000360570202 167359992 /nfs/dbraw/zinc/35/99/92/167359992.db2.gz QGNTUVIGZJBCCT-SFHVURJKSA-N 2 2 331.847 3.489 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)oc1-c1ccc(Cl)cc1 ZINC000360570202 167359995 /nfs/dbraw/zinc/35/99/95/167359995.db2.gz QGNTUVIGZJBCCT-SFHVURJKSA-N 2 2 331.847 3.489 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000366162628 168090249 /nfs/dbraw/zinc/09/02/49/168090249.db2.gz HLMKGGQRZWENIK-SFHVURJKSA-N 2 2 330.472 3.161 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000366162628 168090251 /nfs/dbraw/zinc/09/02/51/168090251.db2.gz HLMKGGQRZWENIK-SFHVURJKSA-N 2 2 330.472 3.161 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013646 168168677 /nfs/dbraw/zinc/16/86/77/168168677.db2.gz AYACAYRWHSBGTI-GGPKGHCWSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013646 168168681 /nfs/dbraw/zinc/16/86/81/168168681.db2.gz AYACAYRWHSBGTI-GGPKGHCWSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000367073450 168176120 /nfs/dbraw/zinc/17/61/20/168176120.db2.gz SLVKNDDXJSQKFF-IBGZPJMESA-N 2 2 329.488 3.200 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000367439816 168225677 /nfs/dbraw/zinc/22/56/77/168225677.db2.gz XIFRIUHVCJZTHA-LBPRGKRZSA-N 2 2 334.489 3.024 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000367439947 168225837 /nfs/dbraw/zinc/22/58/37/168225837.db2.gz YMGTVWULOMTVDW-MRXNPFEDSA-N 3 2 342.487 3.011 20 0 EGADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000367590876 168245916 /nfs/dbraw/zinc/24/59/16/168245916.db2.gz WRYJCQAGIHVTPI-LAUBAEHRSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000367590876 168245917 /nfs/dbraw/zinc/24/59/17/168245917.db2.gz WRYJCQAGIHVTPI-LAUBAEHRSA-N 2 2 338.499 3.218 20 0 EGADLP CC(C)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000367733289 168264183 /nfs/dbraw/zinc/26/41/83/168264183.db2.gz GZJMXHRBROWNBU-HOTGVXAUSA-N 2 2 332.492 3.023 20 0 EGADLP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000367742561 168265852 /nfs/dbraw/zinc/26/58/52/168265852.db2.gz VFMWXNVVJNULNZ-INIZCTEOSA-N 2 2 335.492 3.044 20 0 EGADLP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000367742561 168265854 /nfs/dbraw/zinc/26/58/54/168265854.db2.gz VFMWXNVVJNULNZ-INIZCTEOSA-N 2 2 335.492 3.044 20 0 EGADLP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000122793309 222159410 /nfs/dbraw/zinc/15/94/10/222159410.db2.gz IYDWFRWHPVEERM-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000122793309 222159412 /nfs/dbraw/zinc/15/94/12/222159412.db2.gz IYDWFRWHPVEERM-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000122793309 222159415 /nfs/dbraw/zinc/15/94/15/222159415.db2.gz IYDWFRWHPVEERM-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000122793309 222159417 /nfs/dbraw/zinc/15/94/17/222159417.db2.gz IYDWFRWHPVEERM-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000124044578 222369155 /nfs/dbraw/zinc/36/91/55/222369155.db2.gz ZZJWIWORBJXQLV-UHFFFAOYSA-N 2 2 343.471 3.367 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034257 265225227 /nfs/dbraw/zinc/22/52/27/265225227.db2.gz PUSPQVOMNNVCGQ-ROUUACIJSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034257 265225231 /nfs/dbraw/zinc/22/52/31/265225231.db2.gz PUSPQVOMNNVCGQ-ROUUACIJSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034257 265225233 /nfs/dbraw/zinc/22/52/33/265225233.db2.gz PUSPQVOMNNVCGQ-ROUUACIJSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000177034257 265225237 /nfs/dbraw/zinc/22/52/37/265225237.db2.gz PUSPQVOMNNVCGQ-ROUUACIJSA-N 2 2 337.552 3.220 20 0 EGADLP COc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1 ZINC000185674665 265499750 /nfs/dbraw/zinc/49/97/50/265499750.db2.gz FKBZZZKXCMQIGQ-QRWLVFNGSA-N 2 2 328.456 3.485 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000195652370 266189304 /nfs/dbraw/zinc/18/93/04/266189304.db2.gz OVBRWUACVVRXGA-FGZHOGPDSA-N 2 2 338.495 3.393 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000195652370 266189306 /nfs/dbraw/zinc/18/93/06/266189306.db2.gz OVBRWUACVVRXGA-FGZHOGPDSA-N 2 2 338.495 3.393 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000269993404 266398111 /nfs/dbraw/zinc/39/81/11/266398111.db2.gz PRTXQJSISPHYOS-UHFFFAOYSA-N 2 2 333.476 3.169 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]c2c1 ZINC000274013880 267165169 /nfs/dbraw/zinc/16/51/69/267165169.db2.gz COWKOGQSHZTTPL-KRWDZBQOSA-N 2 2 325.456 3.010 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000274274153 267209865 /nfs/dbraw/zinc/20/98/65/267209865.db2.gz XFDDRVHANNOVNN-STQMWFEESA-N 2 2 334.489 3.199 20 0 EGADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000278473613 268021758 /nfs/dbraw/zinc/02/17/58/268021758.db2.gz USRDLQDMZJWPNM-QGZVFWFLSA-N 2 2 336.439 3.132 20 0 EGADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000278473613 268021761 /nfs/dbraw/zinc/02/17/61/268021761.db2.gz USRDLQDMZJWPNM-QGZVFWFLSA-N 2 2 336.439 3.132 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278523142 268031437 /nfs/dbraw/zinc/03/14/37/268031437.db2.gz SPRQWSKHFHWWBA-FUHWJXTLSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000278523142 268031438 /nfs/dbraw/zinc/03/14/38/268031438.db2.gz SPRQWSKHFHWWBA-FUHWJXTLSA-N 2 2 329.488 3.319 20 0 EGADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000373594026 273634510 /nfs/dbraw/zinc/63/45/10/273634510.db2.gz NLDUEKQROXBDRK-OAHLLOKOSA-N 2 2 342.487 3.239 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424473 274032951 /nfs/dbraw/zinc/03/29/51/274032951.db2.gz QYEMUMRYRGEURV-HZPDHXFCSA-N 2 2 330.394 3.033 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424473 274032952 /nfs/dbraw/zinc/03/29/52/274032952.db2.gz QYEMUMRYRGEURV-HZPDHXFCSA-N 2 2 330.394 3.033 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000130390071 274356466 /nfs/dbraw/zinc/35/64/66/274356466.db2.gz PXFQXNZEQRQRFP-QRWLVFNGSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc(F)c1 ZINC000130390071 274356467 /nfs/dbraw/zinc/35/64/67/274356467.db2.gz PXFQXNZEQRQRFP-QRWLVFNGSA-N 2 2 345.437 3.403 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCC1 ZINC000104235691 275163949 /nfs/dbraw/zinc/16/39/49/275163949.db2.gz CSRYSKZSJJBUMT-GOSISDBHSA-N 2 2 326.444 3.321 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110819436 275181501 /nfs/dbraw/zinc/18/15/01/275181501.db2.gz ZHVKPYQDBNTAMB-INIZCTEOSA-N 2 2 325.294 3.238 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc[nH+]1 ZINC000119145647 275189795 /nfs/dbraw/zinc/18/97/95/275189795.db2.gz QMJGAWRBZHHQDT-INIZCTEOSA-N 2 2 328.416 3.332 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000120527280 275190450 /nfs/dbraw/zinc/19/04/50/275190450.db2.gz JAROJTDCEHPMBG-UHFFFAOYSA-N 2 2 339.443 3.094 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[NH+]1CCCC1 ZINC000194812072 275226638 /nfs/dbraw/zinc/22/66/38/275226638.db2.gz LZBSQQMEXNQQEY-CYBMUJFWSA-N 2 2 343.393 3.108 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000266114058 275235063 /nfs/dbraw/zinc/23/50/63/275235063.db2.gz HWMUKCAOJXXYPY-GFCCVEGCSA-N 2 2 343.393 3.106 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C12CCC2 ZINC000271888192 275238824 /nfs/dbraw/zinc/23/88/24/275238824.db2.gz REPBOEHQTZYFOU-RBUKOAKNSA-N 2 2 325.456 3.369 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cnn1C(C)(C)C ZINC000278901381 275285947 /nfs/dbraw/zinc/28/59/47/275285947.db2.gz FSHRWRXGVLXLAK-YEWWUXTCSA-N 2 2 345.491 3.251 20 0 EGADLP COc1cc(C)nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278928515 275288497 /nfs/dbraw/zinc/28/84/97/275288497.db2.gz SLMFHUFJKJQJES-UHFFFAOYSA-N 2 2 340.471 3.311 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)no1 ZINC000279536174 275338121 /nfs/dbraw/zinc/33/81/21/275338121.db2.gz HUZCLVWLEAYLLB-CVEARBPZSA-N 2 2 329.444 3.055 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)no1 ZINC000279536174 275338123 /nfs/dbraw/zinc/33/81/23/275338123.db2.gz HUZCLVWLEAYLLB-CVEARBPZSA-N 2 2 329.444 3.055 20 0 EGADLP Cc1nnc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)s1 ZINC000280234350 275424913 /nfs/dbraw/zinc/42/49/13/275424913.db2.gz MSFKFMFVQOLTPY-UHFFFAOYSA-N 2 2 327.457 3.342 20 0 EGADLP Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2cnn(C)c2)c1 ZINC000282800327 275672158 /nfs/dbraw/zinc/67/21/58/275672158.db2.gz ZGASQCGNWHDEAG-UHFFFAOYSA-N 2 2 335.455 3.382 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000285471631 275879390 /nfs/dbraw/zinc/87/93/90/275879390.db2.gz NVTOGKOVUJQMMF-NSCUHMNNSA-N 3 2 349.469 3.126 20 0 EGADLP C[C@@H]([NH2+]Cc1nccc(C(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286894185 276054978 /nfs/dbraw/zinc/05/49/78/276054978.db2.gz DEYNYAVINVJUPB-GDBMZVCRSA-N 2 2 346.425 3.414 20 0 EGADLP C[C@@H]([NH2+]Cc1nccc(C(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286894185 276054981 /nfs/dbraw/zinc/05/49/81/276054981.db2.gz DEYNYAVINVJUPB-GDBMZVCRSA-N 2 2 346.425 3.414 20 0 EGADLP C[C@H]([NH2+]Cc1nccc(C(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286894196 276055005 /nfs/dbraw/zinc/05/50/05/276055005.db2.gz DEYNYAVINVJUPB-HOCLYGCPSA-N 2 2 346.425 3.414 20 0 EGADLP C[C@H]([NH2+]Cc1nccc(C(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286894196 276055006 /nfs/dbraw/zinc/05/50/06/276055006.db2.gz DEYNYAVINVJUPB-HOCLYGCPSA-N 2 2 346.425 3.414 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1nncn1C ZINC000287249033 276100597 /nfs/dbraw/zinc/10/05/97/276100597.db2.gz PKIMJSFAMHICHJ-ZACQAIPSSA-N 2 2 341.503 3.144 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000287383735 276114489 /nfs/dbraw/zinc/11/44/89/276114489.db2.gz CFIWIAORWOZPSF-UHFFFAOYSA-N 2 2 332.473 3.356 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287764489 276155138 /nfs/dbraw/zinc/15/51/38/276155138.db2.gz RDLYYPZCFLACSZ-IUODEOHRSA-N 2 2 327.350 3.044 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000288446186 276215042 /nfs/dbraw/zinc/21/50/42/276215042.db2.gz NXCFIMAYMQDDRF-UHFFFAOYSA-N 2 2 335.411 3.181 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000337556802 276252646 /nfs/dbraw/zinc/25/26/46/276252646.db2.gz RVTCGVLZRVYRLY-TUKIKUTGSA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000337556802 276252647 /nfs/dbraw/zinc/25/26/47/276252647.db2.gz RVTCGVLZRVYRLY-TUKIKUTGSA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253169 /nfs/dbraw/zinc/25/31/69/276253169.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 3 2 329.532 3.491 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253171 /nfs/dbraw/zinc/25/31/71/276253171.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253172 /nfs/dbraw/zinc/25/31/72/276253172.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000343482407 276253173 /nfs/dbraw/zinc/25/31/73/276253173.db2.gz UUZKGNMXDTYGBC-UEXGIBASSA-N 3 2 329.532 3.491 20 0 EGADLP COCCOCc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289287855 276316368 /nfs/dbraw/zinc/31/63/68/276316368.db2.gz PIGUPIHPKWWQOZ-PXNSSMCTSA-N 2 2 343.471 3.129 20 0 EGADLP COCCOCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289287855 276316369 /nfs/dbraw/zinc/31/63/69/276316369.db2.gz PIGUPIHPKWWQOZ-PXNSSMCTSA-N 2 2 343.471 3.129 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccc2ccccc21 ZINC000289655950 276373339 /nfs/dbraw/zinc/37/33/39/276373339.db2.gz ILOLCRRDPGXOHS-IXDOHACOSA-N 2 2 327.472 3.385 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccc2ccccc21 ZINC000289655950 276373340 /nfs/dbraw/zinc/37/33/40/276373340.db2.gz ILOLCRRDPGXOHS-IXDOHACOSA-N 2 2 327.472 3.385 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000289675119 276376320 /nfs/dbraw/zinc/37/63/20/276376320.db2.gz ZJSSGXMZNQYKNC-HKUYNNGSSA-N 2 2 328.460 3.220 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289755910 276388777 /nfs/dbraw/zinc/38/87/77/276388777.db2.gz INOQWUKBNBUEGT-QGZVFWFLSA-N 2 2 346.906 3.465 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289755910 276388778 /nfs/dbraw/zinc/38/87/78/276388778.db2.gz INOQWUKBNBUEGT-QGZVFWFLSA-N 2 2 346.906 3.465 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289803841 276397803 /nfs/dbraw/zinc/39/78/03/276397803.db2.gz MKRKITXGZGRROA-KRWDZBQOSA-N 2 2 346.906 3.465 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289803841 276397804 /nfs/dbraw/zinc/39/78/04/276397804.db2.gz MKRKITXGZGRROA-KRWDZBQOSA-N 2 2 346.906 3.465 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000290110262 276448227 /nfs/dbraw/zinc/44/82/27/276448227.db2.gz IQNXKNLOFLZOHY-IBGZPJMESA-N 2 2 336.907 3.445 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000374366322 276884370 /nfs/dbraw/zinc/88/43/70/276884370.db2.gz RWNCDBCHFDKYAZ-FQEVSTJZSA-N 2 2 343.515 3.270 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000268962927 277101908 /nfs/dbraw/zinc/10/19/08/277101908.db2.gz XRPIBEZYHZKPQO-FCHUYYIVSA-N 2 2 337.511 3.196 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000268962927 277101909 /nfs/dbraw/zinc/10/19/09/277101909.db2.gz XRPIBEZYHZKPQO-FCHUYYIVSA-N 2 2 337.511 3.196 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351984350 278220783 /nfs/dbraw/zinc/22/07/83/278220783.db2.gz XDXHULNJLDSMJD-CZUORRHYSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351984350 278220784 /nfs/dbraw/zinc/22/07/84/278220784.db2.gz XDXHULNJLDSMJD-CZUORRHYSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351984350 278220787 /nfs/dbraw/zinc/22/07/87/278220787.db2.gz XDXHULNJLDSMJD-CZUORRHYSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351984350 278220789 /nfs/dbraw/zinc/22/07/89/278220789.db2.gz XDXHULNJLDSMJD-CZUORRHYSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246751527 279235844 /nfs/dbraw/zinc/23/58/44/279235844.db2.gz HEZDLBGGOCXKOC-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246751527 279235846 /nfs/dbraw/zinc/23/58/46/279235846.db2.gz HEZDLBGGOCXKOC-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246751527 279235847 /nfs/dbraw/zinc/23/58/47/279235847.db2.gz HEZDLBGGOCXKOC-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246751527 279235849 /nfs/dbraw/zinc/23/58/49/279235849.db2.gz HEZDLBGGOCXKOC-KEYYUXOJSA-N 2 2 335.879 3.083 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000342786797 279243719 /nfs/dbraw/zinc/24/37/19/279243719.db2.gz UFCUCEGAFAMTGM-IEBWSBKVSA-N 2 2 326.488 3.386 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000342786797 279243720 /nfs/dbraw/zinc/24/37/20/279243720.db2.gz UFCUCEGAFAMTGM-IEBWSBKVSA-N 2 2 326.488 3.386 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000359524451 281079018 /nfs/dbraw/zinc/07/90/18/281079018.db2.gz KUKSPJMQVQWDOM-HKUYNNGSSA-N 2 2 332.488 3.155 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359524451 281079022 /nfs/dbraw/zinc/07/90/22/281079022.db2.gz KUKSPJMQVQWDOM-HKUYNNGSSA-N 2 2 332.488 3.155 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1 ZINC000356562453 289270980 /nfs/dbraw/zinc/27/09/80/289270980.db2.gz KSNUZCWLMUFZSN-QZTJIDSGSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247021401 289371040 /nfs/dbraw/zinc/37/10/40/289371040.db2.gz JPVCAQJDAPZOAS-MKXGPGLRSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247021401 289371041 /nfs/dbraw/zinc/37/10/41/289371041.db2.gz JPVCAQJDAPZOAS-MKXGPGLRSA-N 2 2 335.536 3.020 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc(Br)cn1 ZINC000230001182 303378087 /nfs/dbraw/zinc/37/80/87/303378087.db2.gz KAVPCQWJTXIYEK-UHFFFAOYSA-N 2 2 334.261 3.195 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(Br)cn1 ZINC000230001182 303378088 /nfs/dbraw/zinc/37/80/88/303378088.db2.gz KAVPCQWJTXIYEK-UHFFFAOYSA-N 2 2 334.261 3.195 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718406 307381574 /nfs/dbraw/zinc/38/15/74/307381574.db2.gz LJNMTDQGBMTOGS-HZPDHXFCSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718406 307381576 /nfs/dbraw/zinc/38/15/76/307381576.db2.gz LJNMTDQGBMTOGS-HZPDHXFCSA-N 2 2 349.906 3.475 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000414058740 309058274 /nfs/dbraw/zinc/05/82/74/309058274.db2.gz HULXRIXTRASMRC-MRXNPFEDSA-N 2 2 336.439 3.056 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122572 309062242 /nfs/dbraw/zinc/06/22/42/309062242.db2.gz GBTJUEPYQOZXFX-HKUYNNGSSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122572 309062243 /nfs/dbraw/zinc/06/22/43/309062243.db2.gz GBTJUEPYQOZXFX-HKUYNNGSSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000155182863 307809013 /nfs/dbraw/zinc/80/90/13/307809013.db2.gz KAUWSXMOKIHEDP-KRWDZBQOSA-N 2 2 332.488 3.066 20 0 EGADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000414267945 309069520 /nfs/dbraw/zinc/06/95/20/309069520.db2.gz UDADQMIQOFBHLG-UHFFFAOYSA-N 2 2 330.863 3.193 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000158909071 307865318 /nfs/dbraw/zinc/86/53/18/307865318.db2.gz KWQRGRLCGZGYFQ-GDBMZVCRSA-N 2 2 340.508 3.291 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)c2ccccn2)cc1 ZINC000414390520 309077268 /nfs/dbraw/zinc/07/72/68/309077268.db2.gz IYRLQGOUZSBJQX-FQEVSTJZSA-N 2 2 349.482 3.263 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000414447159 309080641 /nfs/dbraw/zinc/08/06/41/309080641.db2.gz WKSMLUUOYDOPHA-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000414447159 309080642 /nfs/dbraw/zinc/08/06/42/309080642.db2.gz WKSMLUUOYDOPHA-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000414447159 309080643 /nfs/dbraw/zinc/08/06/43/309080643.db2.gz WKSMLUUOYDOPHA-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000414447159 309080644 /nfs/dbraw/zinc/08/06/44/309080644.db2.gz WKSMLUUOYDOPHA-JXFKEZNVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000414450672 309080813 /nfs/dbraw/zinc/08/08/13/309080813.db2.gz HCDHCWBHNWSTFN-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000414450672 309080814 /nfs/dbraw/zinc/08/08/14/309080814.db2.gz HCDHCWBHNWSTFN-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000414450672 309080815 /nfs/dbraw/zinc/08/08/15/309080815.db2.gz HCDHCWBHNWSTFN-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000414450672 309080816 /nfs/dbraw/zinc/08/08/16/309080816.db2.gz HCDHCWBHNWSTFN-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Brc1ccc(C[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000292817999 308069061 /nfs/dbraw/zinc/06/90/61/308069061.db2.gz XQXVYXFXYDGWKT-OAHLLOKOSA-N 2 2 334.261 3.210 20 0 EGADLP Brc1ccc(C[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000292817999 308069062 /nfs/dbraw/zinc/06/90/62/308069062.db2.gz XQXVYXFXYDGWKT-OAHLLOKOSA-N 2 2 334.261 3.210 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056675 308094925 /nfs/dbraw/zinc/09/49/25/308094925.db2.gz UMWLAXOQMFQTSU-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056675 308094926 /nfs/dbraw/zinc/09/49/26/308094926.db2.gz UMWLAXOQMFQTSU-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056675 308094928 /nfs/dbraw/zinc/09/49/28/308094928.db2.gz UMWLAXOQMFQTSU-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056675 308094930 /nfs/dbraw/zinc/09/49/30/308094930.db2.gz UMWLAXOQMFQTSU-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+](C)C[C@@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000293170268 308105751 /nfs/dbraw/zinc/10/57/51/308105751.db2.gz VEMCJXOUOVXPBY-LBPRGKRZSA-N 2 2 334.261 3.385 20 0 EGADLP CSCc1cnc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000293682877 308152525 /nfs/dbraw/zinc/15/25/25/308152525.db2.gz VRSPZTNZKXDERD-UHFFFAOYSA-N 2 2 345.497 3.185 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1csc(C)n1 ZINC000414527875 309086571 /nfs/dbraw/zinc/08/65/71/309086571.db2.gz NQKCGPJMYSFZGO-IEBWSBKVSA-N 2 2 345.512 3.078 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1csc(C)n1 ZINC000414527875 309086572 /nfs/dbraw/zinc/08/65/72/309086572.db2.gz NQKCGPJMYSFZGO-IEBWSBKVSA-N 2 2 345.512 3.078 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000294860226 308265049 /nfs/dbraw/zinc/26/50/49/308265049.db2.gz DDHGFAJQZGNIIQ-ZDUSSCGKSA-N 2 2 333.819 3.229 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000295102955 308291757 /nfs/dbraw/zinc/29/17/57/308291757.db2.gz VDSFXDQRRCFXCC-UYAOXDASSA-N 2 2 334.423 3.277 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000414655750 309093886 /nfs/dbraw/zinc/09/38/86/309093886.db2.gz LXMLJGMJYWHZFG-OAQYLSRUSA-N 2 2 346.478 3.440 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000414655750 309093887 /nfs/dbraw/zinc/09/38/87/309093887.db2.gz LXMLJGMJYWHZFG-OAQYLSRUSA-N 2 2 346.478 3.440 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000414790015 309101481 /nfs/dbraw/zinc/10/14/81/309101481.db2.gz ZGEFWAAZDLGNDR-CYBMUJFWSA-N 2 2 349.525 3.059 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000414790015 309101482 /nfs/dbraw/zinc/10/14/82/309101482.db2.gz ZGEFWAAZDLGNDR-CYBMUJFWSA-N 2 2 349.525 3.059 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC1 ZINC000414793059 309101693 /nfs/dbraw/zinc/10/16/93/309101693.db2.gz CZBXFTPKDCADMO-SFHVURJKSA-N 2 2 343.858 3.419 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414793290 309101864 /nfs/dbraw/zinc/10/18/64/309101864.db2.gz SZWQRCWWOWAMCF-LBPRGKRZSA-N 2 2 329.271 3.181 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414793290 309101865 /nfs/dbraw/zinc/10/18/65/309101865.db2.gz SZWQRCWWOWAMCF-LBPRGKRZSA-N 2 2 329.271 3.181 20 0 EGADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414802660 309102429 /nfs/dbraw/zinc/10/24/29/309102429.db2.gz IQZOMXYPLUBXFY-INIZCTEOSA-N 2 2 348.487 3.029 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414830952 309104294 /nfs/dbraw/zinc/10/42/94/309104294.db2.gz OVDBCZQZTLUHQR-UHFFFAOYSA-N 2 2 338.430 3.378 20 0 EGADLP Cc1cccc(N2CC[NH+](CCOc3ccccc3Cl)CC2)[nH+]1 ZINC000301306441 308695859 /nfs/dbraw/zinc/69/58/59/308695859.db2.gz YQHHQJMOHGSJPP-UHFFFAOYSA-N 2 2 331.847 3.244 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301875738 308719592 /nfs/dbraw/zinc/71/95/92/308719592.db2.gz ILKVVQYJQABIIK-HUUCEWRRSA-N 2 2 344.507 3.361 20 0 EGADLP CCc1cc(NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302039616 308726337 /nfs/dbraw/zinc/72/63/37/308726337.db2.gz HGYQEALLOOUFIS-IBGZPJMESA-N 2 2 340.471 3.141 20 0 EGADLP Cc1nc(N(CC[NH+](C)C)Cc2cccs2)c2c([nH+]1)CCCC2 ZINC000302081132 308728495 /nfs/dbraw/zinc/72/84/95/308728495.db2.gz JBTKPRKBJFHOPP-UHFFFAOYSA-N 2 2 330.501 3.294 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329505485 308783751 /nfs/dbraw/zinc/78/37/51/308783751.db2.gz HGZFRTYGBZYXKC-LLVKDONJSA-N 2 2 329.429 3.462 20 0 EGADLP Cc1ccc2c(C)cc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)[nH+]c2c1 ZINC000409517096 308909714 /nfs/dbraw/zinc/90/97/14/308909714.db2.gz AUSUQHRRDODWOK-SFHVURJKSA-N 2 2 339.483 3.400 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(N)c2ccccc2n1 ZINC000411550324 308943713 /nfs/dbraw/zinc/94/37/13/308943713.db2.gz KGRQEFAVTFIJAP-NVXWUHKLSA-N 2 2 341.503 3.033 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@@H](CNc3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000413118224 309016952 /nfs/dbraw/zinc/01/69/52/309016952.db2.gz KLONIOJVHBLKFO-KRWDZBQOSA-N 2 2 337.471 3.027 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@@H](CNc3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000413118224 309016953 /nfs/dbraw/zinc/01/69/53/309016953.db2.gz KLONIOJVHBLKFO-KRWDZBQOSA-N 2 2 337.471 3.027 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@@H](CNc3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000413118224 309016954 /nfs/dbraw/zinc/01/69/54/309016954.db2.gz KLONIOJVHBLKFO-KRWDZBQOSA-N 2 2 337.471 3.027 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@@H](CNc3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000413118224 309016955 /nfs/dbraw/zinc/01/69/55/309016955.db2.gz KLONIOJVHBLKFO-KRWDZBQOSA-N 2 2 337.471 3.027 20 0 EGADLP c1c(C[NH2+][C@H]2CCC[NH2+]C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414871651 309106625 /nfs/dbraw/zinc/10/66/25/309106625.db2.gz UZOZVMVKEKPVKK-NRFANRHFSA-N 2 2 346.478 3.440 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC)c(F)c2)cc1 ZINC000414884906 309107187 /nfs/dbraw/zinc/10/71/87/309107187.db2.gz OIGGOUTZFUCWBL-HKUYNNGSSA-N 2 2 344.430 3.078 20 0 EGADLP C[C@@]1(C[NH2+]Cc2csc(COc3ccccc3)n2)CCC[NH2+]C1 ZINC000414907409 309108448 /nfs/dbraw/zinc/10/84/48/309108448.db2.gz QLIHWOPDRHVRBG-GOSISDBHSA-N 2 2 331.485 3.201 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414952404 309111069 /nfs/dbraw/zinc/11/10/69/309111069.db2.gz IDOQGVKGMWWCRR-TZIWHRDSSA-N 2 2 342.458 3.250 20 0 EGADLP CSc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414959413 309111560 /nfs/dbraw/zinc/11/15/60/309111560.db2.gz TVVPYPQPHZDIJS-ZWNOBZJWSA-N 2 2 329.307 3.401 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414969472 309112269 /nfs/dbraw/zinc/11/22/69/309112269.db2.gz ZAYBKXVBKAPPEM-CYBMUJFWSA-N 2 2 334.895 3.289 20 0 EGADLP CCCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])CC)cc1OC ZINC000414988387 309112861 /nfs/dbraw/zinc/11/28/61/309112861.db2.gz ZUMMUMQHJMSAEN-GFCCVEGCSA-N 2 2 345.281 3.073 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414987164 309112965 /nfs/dbraw/zinc/11/29/65/309112965.db2.gz KIGHLWXQUWUDDD-SNVBAGLBSA-N 2 2 325.172 3.295 20 0 EGADLP CCCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000415058279 309117227 /nfs/dbraw/zinc/11/72/27/309117227.db2.gz VIRIDNFVBMLEPT-RBUKOAKNSA-N 2 2 340.467 3.329 20 0 EGADLP [NH3+]C1(C[NH2+]C/C=C/c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140705 309123313 /nfs/dbraw/zinc/12/33/13/309123313.db2.gz ZEWOVBYOJKLSMA-KPKJPENVSA-N 3 2 335.495 3.283 20 0 EGADLP [NH3+]CC[C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415188268 309125523 /nfs/dbraw/zinc/12/55/23/309125523.db2.gz QPUYDWZEQHYEKU-HNNXBMFYSA-N 2 2 340.427 3.467 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415191000 309125612 /nfs/dbraw/zinc/12/56/12/309125612.db2.gz VHGPDJLZAGHVAN-UONOGXRCSA-N 2 2 326.400 3.075 20 0 EGADLP Cc1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000415432990 309133269 /nfs/dbraw/zinc/13/32/69/309133269.db2.gz HSVBOTNQQONSSB-AUUYWEPGSA-N 2 2 345.491 3.018 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000415730626 309142492 /nfs/dbraw/zinc/14/24/92/309142492.db2.gz DPUKCOPMWBHIBC-KRWDZBQOSA-N 2 2 326.444 3.391 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417358140 309202879 /nfs/dbraw/zinc/20/28/79/309202879.db2.gz SMPBTPKZZRLPRI-OAHLLOKOSA-N 2 2 332.492 3.305 20 0 EGADLP [NH3+]CCC[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000418677167 309253383 /nfs/dbraw/zinc/25/33/83/309253383.db2.gz RJZGPVWXHVTVNZ-IRXDYDNUSA-N 2 2 341.459 3.127 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)n1C ZINC000419714024 309271227 /nfs/dbraw/zinc/27/12/27/309271227.db2.gz XHBGXOSOLCBIND-UHFFFAOYSA-N 2 2 348.319 3.073 20 0 EGADLP Cc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000420305100 309280614 /nfs/dbraw/zinc/28/06/14/309280614.db2.gz FWZMURWCGKADNB-QGZVFWFLSA-N 2 2 342.512 3.299 20 0 EGADLP Cc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000420305100 309280615 /nfs/dbraw/zinc/28/06/15/309280615.db2.gz FWZMURWCGKADNB-QGZVFWFLSA-N 2 2 342.512 3.299 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)CC1CCCC1 ZINC000420321917 309282099 /nfs/dbraw/zinc/28/20/99/309282099.db2.gz WBPTVEBMRUTQLE-UHFFFAOYSA-N 2 2 348.878 3.330 20 0 EGADLP [NH3+]CCC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)CC1CCCC1 ZINC000420321917 309282100 /nfs/dbraw/zinc/28/21/00/309282100.db2.gz WBPTVEBMRUTQLE-UHFFFAOYSA-N 2 2 348.878 3.330 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420321506 309282138 /nfs/dbraw/zinc/28/21/38/309282138.db2.gz VJZJFJNWPQYKNM-JOCHJYFZSA-N 2 2 349.478 3.121 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420321506 309282139 /nfs/dbraw/zinc/28/21/39/309282139.db2.gz VJZJFJNWPQYKNM-JOCHJYFZSA-N 2 2 349.478 3.121 20 0 EGADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)n2)cc1 ZINC000420359731 309284008 /nfs/dbraw/zinc/28/40/08/309284008.db2.gz KGZSACGRZIODKH-OAHLLOKOSA-N 2 2 346.500 3.020 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cccc(Cl)c1Cl ZINC000420368276 309284671 /nfs/dbraw/zinc/28/46/71/309284671.db2.gz NMPVCYLYTZBQRO-BQVMBELUSA-N 2 2 344.286 3.297 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(Cl)c1 ZINC000420375165 309285105 /nfs/dbraw/zinc/28/51/05/309285105.db2.gz STESJGQNATVALC-AOLWHUPESA-N 2 2 337.895 3.260 20 0 EGADLP C[C@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000420409792 309286856 /nfs/dbraw/zinc/28/68/56/309286856.db2.gz QXGSODDVMYJFHO-UONOGXRCSA-N 2 2 349.475 3.278 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000420409792 309286857 /nfs/dbraw/zinc/28/68/57/309286857.db2.gz QXGSODDVMYJFHO-UONOGXRCSA-N 2 2 349.475 3.278 20 0 EGADLP CC[C@](C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420930776 309301919 /nfs/dbraw/zinc/30/19/19/309301919.db2.gz FDMUKPONSSVVMS-IBGZPJMESA-N 2 2 345.512 3.390 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1c(C)noc1C ZINC000420929304 309302029 /nfs/dbraw/zinc/30/20/29/309302029.db2.gz DKSGFDDWQHTWFX-IBGZPJMESA-N 2 2 343.471 3.365 20 0 EGADLP C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951222 309303589 /nfs/dbraw/zinc/30/35/89/309303589.db2.gz SESXSKHWFDPEKG-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951222 309303590 /nfs/dbraw/zinc/30/35/90/309303590.db2.gz SESXSKHWFDPEKG-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957627 309304300 /nfs/dbraw/zinc/30/43/00/309304300.db2.gz DBCNRLCXVGIVCB-WMLDXEAASA-N 2 2 342.405 3.292 20 0 EGADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957627 309304301 /nfs/dbraw/zinc/30/43/01/309304301.db2.gz DBCNRLCXVGIVCB-WMLDXEAASA-N 2 2 342.405 3.292 20 0 EGADLP COC1([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCCCC1 ZINC000421838608 309342619 /nfs/dbraw/zinc/34/26/19/309342619.db2.gz VHDTVIBWJWNLRU-FUHWJXTLSA-N 2 2 346.519 3.372 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422235621 309358832 /nfs/dbraw/zinc/35/88/32/309358832.db2.gz GGCXUQKSRXEIHT-OFLPRAFFSA-N 2 2 347.507 3.012 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422705355 309364001 /nfs/dbraw/zinc/36/40/01/309364001.db2.gz RJDIXOARXBRMIS-HZPDHXFCSA-N 2 2 330.815 3.346 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000422714589 309364350 /nfs/dbraw/zinc/36/43/50/309364350.db2.gz LEMDTRSFBKFLRH-BXWFABGCSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000422714589 309364351 /nfs/dbraw/zinc/36/43/51/309364351.db2.gz LEMDTRSFBKFLRH-BXWFABGCSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000422716118 309364577 /nfs/dbraw/zinc/36/45/77/309364577.db2.gz MXLSACIIIDLFDH-XWIAVFTESA-N 2 2 327.497 3.229 20 0 EGADLP C[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000422716118 309364578 /nfs/dbraw/zinc/36/45/78/309364578.db2.gz MXLSACIIIDLFDH-XWIAVFTESA-N 2 2 327.497 3.229 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000422753732 309366634 /nfs/dbraw/zinc/36/66/34/309366634.db2.gz GIVBWZCMMRDWAM-PXNSSMCTSA-N 3 2 333.520 3.329 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCSCc1cccc2ccccc21 ZINC000422760321 309367027 /nfs/dbraw/zinc/36/70/27/309367027.db2.gz LUNGUXDCMLORDP-LPHOPBHVSA-N 2 2 344.524 3.430 20 0 EGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422858279 309372455 /nfs/dbraw/zinc/37/24/55/309372455.db2.gz IGLHEEPAYOZKBE-XUJVJEKNSA-N 2 2 331.287 3.281 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422893034 309374652 /nfs/dbraw/zinc/37/46/52/309374652.db2.gz OGOQAJDDOGXZRR-XLIONFOSSA-N 3 2 333.520 3.027 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1-n1cc[nH+]c1 ZINC000422905737 309375615 /nfs/dbraw/zinc/37/56/15/309375615.db2.gz SPPBFZPABLCRSK-YTQUADARSA-N 3 2 342.462 3.412 20 0 EGADLP Cc1sc(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000422932090 309376839 /nfs/dbraw/zinc/37/68/39/309376839.db2.gz YTIKFNAZLDAPQY-PBHICJAKSA-N 2 2 345.512 3.018 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422956419 309378071 /nfs/dbraw/zinc/37/80/71/309378071.db2.gz LCJNEFJGPNJTND-YCPHGPKFSA-N 2 2 331.485 3.228 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])O[C@H](C)C2 ZINC000422960062 309378315 /nfs/dbraw/zinc/37/83/15/309378315.db2.gz AOIRWEWMLFTYOQ-SPYBWZPUSA-N 2 2 340.467 3.067 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423030806 309382128 /nfs/dbraw/zinc/38/21/28/309382128.db2.gz WIWCHEIEKRCLOE-GWIFVGGISA-N 3 2 327.875 3.187 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423030806 309382129 /nfs/dbraw/zinc/38/21/29/309382129.db2.gz WIWCHEIEKRCLOE-GWIFVGGISA-N 3 2 327.875 3.187 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423042544 309382616 /nfs/dbraw/zinc/38/26/16/309382616.db2.gz LDYGFDDTJIUCGL-XNJGSVPQSA-N 2 2 325.859 3.178 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080431 309384827 /nfs/dbraw/zinc/38/48/27/309384827.db2.gz SMUVYJNFMXRHQQ-CABCVRRESA-N 2 2 338.442 3.133 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080436 309384831 /nfs/dbraw/zinc/38/48/31/309384831.db2.gz SMUVYJNFMXRHQQ-HUUCEWRRSA-N 2 2 338.442 3.133 20 0 EGADLP Fc1ccc(C2CC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423095355 309385674 /nfs/dbraw/zinc/38/56/74/309385674.db2.gz DZYBVAIJTWZGLW-VKYMVXLJSA-N 2 2 338.854 3.082 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423150260 309388558 /nfs/dbraw/zinc/38/85/58/309388558.db2.gz BJXRALXIUTVPCS-JDSLSITLSA-N 2 2 326.843 3.287 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423190732 309389753 /nfs/dbraw/zinc/38/97/53/309389753.db2.gz NZVYLGNOGXBRSP-USXIJHARSA-N 2 2 336.451 3.176 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192636 309389889 /nfs/dbraw/zinc/38/98/89/309389889.db2.gz PWOCSLWRBSHRQD-SMDDNHRTSA-N 2 2 325.250 3.004 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)nnn1-c1ccccc1 ZINC000423263517 309393053 /nfs/dbraw/zinc/39/30/53/309393053.db2.gz OREIBNBHWFOQKF-KDOFPFPSSA-N 2 2 327.476 3.134 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423266913 309393253 /nfs/dbraw/zinc/39/32/53/309393253.db2.gz DYIDBFBCFAGXPI-KBPBESRZSA-N 2 2 327.266 3.236 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(Br)c1 ZINC000423367115 309397451 /nfs/dbraw/zinc/39/74/51/309397451.db2.gz CYENMYZAHXZCEV-SRVKXCTJSA-N 2 2 327.266 3.249 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)s1 ZINC000423373427 309397579 /nfs/dbraw/zinc/39/75/79/309397579.db2.gz BUIXUZCNHHWWMU-TZMCWYRMSA-N 2 2 325.522 3.069 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc3cc(OC)ccc3c2)CCC[NH2+]1 ZINC000423417005 309399442 /nfs/dbraw/zinc/39/94/42/309399442.db2.gz GEPRREXFUSFCGG-QRWLVFNGSA-N 2 2 328.456 3.268 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000423431297 309400257 /nfs/dbraw/zinc/40/02/57/309400257.db2.gz QINYDTJFRXBNDZ-QRFRQXIXSA-N 2 2 344.499 3.365 20 0 EGADLP CCCC[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000423567553 309406567 /nfs/dbraw/zinc/40/65/67/309406567.db2.gz DCWWYPXBBWZJKP-IAGOWNOFSA-N 2 2 346.519 3.200 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000423832883 309415466 /nfs/dbraw/zinc/41/54/66/309415466.db2.gz YPVAKRWBLGDKMZ-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)cc1O ZINC000426415507 309506893 /nfs/dbraw/zinc/50/68/93/309506893.db2.gz DOKAJZPVNZESKB-IRXDYDNUSA-N 2 2 334.504 3.432 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1F ZINC000427838730 309536781 /nfs/dbraw/zinc/53/67/81/309536781.db2.gz CHQZNURZKOAJJI-JQWIXIFHSA-N 2 2 338.224 3.450 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000427852170 309537010 /nfs/dbraw/zinc/53/70/10/309537010.db2.gz DZRUDXOJCVPYLO-CJNGLKHVSA-N 2 2 339.418 3.182 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)c[nH+]1 ZINC000429845744 309591351 /nfs/dbraw/zinc/59/13/51/309591351.db2.gz BWGZXOQZMDESMV-GOSISDBHSA-N 2 2 341.430 3.247 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000430546803 309610310 /nfs/dbraw/zinc/61/03/10/309610310.db2.gz KEMIXRYKJSHSKP-FQEVSTJZSA-N 2 2 339.439 3.134 20 0 EGADLP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000433363184 309687307 /nfs/dbraw/zinc/68/73/07/309687307.db2.gz GZQRCGKMKPHGSA-MRXNPFEDSA-N 2 2 348.450 3.425 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691409 309717807 /nfs/dbraw/zinc/71/78/07/309717807.db2.gz QSNPORZOWSRXPR-GOSISDBHSA-N 2 2 347.503 3.377 20 0 EGADLP Cc1cccc2[nH+]c(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cn21 ZINC000435625982 309736731 /nfs/dbraw/zinc/73/67/31/309736731.db2.gz JHYJHIBVTYZXPM-FQEVSTJZSA-N 2 2 349.482 3.182 20 0 EGADLP Cc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1Oc1cc[nH+]cc1 ZINC000438526892 309816197 /nfs/dbraw/zinc/81/61/97/309816197.db2.gz AQNGPVCKJQUGBA-UHFFFAOYSA-N 2 2 339.439 3.396 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000449109718 310037814 /nfs/dbraw/zinc/03/78/14/310037814.db2.gz XUOTZPYIUJEEGW-HUUCEWRRSA-N 2 2 345.512 3.351 20 0 EGADLP c1c(CC[NH2+]Cc2ccc3c(c2)OCCCCO3)[nH+]c2ccccn12 ZINC000449218799 310045383 /nfs/dbraw/zinc/04/53/83/310045383.db2.gz KWWATDJIMAMOER-UHFFFAOYSA-N 2 2 337.423 3.218 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229167 310046135 /nfs/dbraw/zinc/04/61/35/310046135.db2.gz YTRPYAJQGZDYNI-IEBWSBKVSA-N 2 2 341.524 3.454 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229167 310046136 /nfs/dbraw/zinc/04/61/36/310046136.db2.gz YTRPYAJQGZDYNI-IEBWSBKVSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229167 310046137 /nfs/dbraw/zinc/04/61/37/310046137.db2.gz YTRPYAJQGZDYNI-IEBWSBKVSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229167 310046138 /nfs/dbraw/zinc/04/61/38/310046138.db2.gz YTRPYAJQGZDYNI-IEBWSBKVSA-N 2 2 341.524 3.454 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cs1 ZINC000449261996 310048187 /nfs/dbraw/zinc/04/81/87/310048187.db2.gz GJHAATPOFDCROF-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cs1 ZINC000449261996 310048188 /nfs/dbraw/zinc/04/81/88/310048188.db2.gz GJHAATPOFDCROF-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000449261996 310048189 /nfs/dbraw/zinc/04/81/89/310048189.db2.gz GJHAATPOFDCROF-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000449261996 310048190 /nfs/dbraw/zinc/04/81/90/310048190.db2.gz GJHAATPOFDCROF-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3ccoc32)CCC[N@@H+]1C ZINC000449319224 310053086 /nfs/dbraw/zinc/05/30/86/310053086.db2.gz XUHMTVYHOLIILS-QFBILLFUSA-N 2 2 338.455 3.339 20 0 EGADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3ccoc32)CCC[N@H+]1C ZINC000449319224 310053087 /nfs/dbraw/zinc/05/30/87/310053087.db2.gz XUHMTVYHOLIILS-QFBILLFUSA-N 2 2 338.455 3.339 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345643 310055707 /nfs/dbraw/zinc/05/57/07/310055707.db2.gz WJBVIMYDALXJLP-HXUWFJFHSA-N 2 2 330.472 3.156 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345643 310055708 /nfs/dbraw/zinc/05/57/08/310055708.db2.gz WJBVIMYDALXJLP-HXUWFJFHSA-N 2 2 330.472 3.156 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345643 310055709 /nfs/dbraw/zinc/05/57/09/310055709.db2.gz WJBVIMYDALXJLP-HXUWFJFHSA-N 2 2 330.472 3.156 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449345643 310055710 /nfs/dbraw/zinc/05/57/10/310055710.db2.gz WJBVIMYDALXJLP-HXUWFJFHSA-N 2 2 330.472 3.156 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000449439106 310062243 /nfs/dbraw/zinc/06/22/43/310062243.db2.gz SBFXNOKQOPDQQA-SRCQZFHVSA-N 2 2 342.405 3.344 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000449439106 310062244 /nfs/dbraw/zinc/06/22/44/310062244.db2.gz SBFXNOKQOPDQQA-SRCQZFHVSA-N 2 2 342.405 3.344 20 0 EGADLP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCO1 ZINC000449489512 310066269 /nfs/dbraw/zinc/06/62/69/310066269.db2.gz AFUKCULKOUTZIG-PXNSSMCTSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000449555032 310071633 /nfs/dbraw/zinc/07/16/33/310071633.db2.gz QIAKLRMIVJWZKJ-SFHVURJKSA-N 2 2 334.467 3.288 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000449555032 310071634 /nfs/dbraw/zinc/07/16/34/310071634.db2.gz QIAKLRMIVJWZKJ-SFHVURJKSA-N 2 2 334.467 3.288 20 0 EGADLP COC(=O)[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@H]1c1ccccc1 ZINC000449752308 310084414 /nfs/dbraw/zinc/08/44/14/310084414.db2.gz BYCJEAWNBBMCFV-PMACEKPBSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@H]1c1ccccc1 ZINC000449752308 310084415 /nfs/dbraw/zinc/08/44/15/310084415.db2.gz BYCJEAWNBBMCFV-PMACEKPBSA-N 2 2 338.451 3.211 20 0 EGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2cc1Cl ZINC000450365586 310118178 /nfs/dbraw/zinc/11/81/78/310118178.db2.gz OZLSWZDONUABEI-UHFFFAOYSA-N 2 2 349.837 3.328 20 0 EGADLP c1cc(C[NH2+][C@H](C2CC2)C2CCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000453070280 310255777 /nfs/dbraw/zinc/25/57/77/310255777.db2.gz NHYPVFYILVWZQO-NRFANRHFSA-N 2 2 344.499 3.066 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000453077950 310256448 /nfs/dbraw/zinc/25/64/48/310256448.db2.gz WUJOSHWBRKWSCP-KRWDZBQOSA-N 2 2 327.407 3.022 20 0 EGADLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000453096908 310257739 /nfs/dbraw/zinc/25/77/39/310257739.db2.gz IPUQLNVAJWTTOE-SUMWQHHRSA-N 2 2 332.879 3.235 20 0 EGADLP C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000453096908 310257740 /nfs/dbraw/zinc/25/77/40/310257740.db2.gz IPUQLNVAJWTTOE-SUMWQHHRSA-N 2 2 332.879 3.235 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)sc1Br ZINC000453266154 310267959 /nfs/dbraw/zinc/26/79/59/310267959.db2.gz KPKJLLMDCIZPNC-ATZCPNFKSA-N 2 2 332.311 3.032 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)sc1Br ZINC000453266154 310267960 /nfs/dbraw/zinc/26/79/60/310267960.db2.gz KPKJLLMDCIZPNC-ATZCPNFKSA-N 2 2 332.311 3.032 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCCO2 ZINC000453278069 310268842 /nfs/dbraw/zinc/26/88/42/310268842.db2.gz YNEDPJNNHHAKQO-ICSRJNTNSA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCCO2 ZINC000453278069 310268843 /nfs/dbraw/zinc/26/88/43/310268843.db2.gz YNEDPJNNHHAKQO-ICSRJNTNSA-N 2 2 346.515 3.460 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)CC(C)C ZINC000454612816 310320088 /nfs/dbraw/zinc/32/00/88/310320088.db2.gz HUNGKBYZLDJOFM-SFHVURJKSA-N 2 2 334.508 3.254 20 0 EGADLP Cc1cc(C)c(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c(C)[nH+]1 ZINC000455533119 310365477 /nfs/dbraw/zinc/36/54/77/310365477.db2.gz TWSZTPKUIXEDEW-UHFFFAOYSA-N 2 2 327.432 3.204 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456341686 310399558 /nfs/dbraw/zinc/39/95/58/310399558.db2.gz DIYGSHGMEWDHAD-INIZCTEOSA-N 2 2 340.471 3.380 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000482231509 310928754 /nfs/dbraw/zinc/92/87/54/310928754.db2.gz NYNOPXYZJQXWFP-AWEZNQCLSA-N 2 2 338.879 3.481 20 0 EGADLP CCOC(=O)[C@H](c1cccc(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000483514026 310951571 /nfs/dbraw/zinc/95/15/71/310951571.db2.gz HDFCCNHVRLQHRX-KRWDZBQOSA-N 2 2 338.879 3.218 20 0 EGADLP Cc1ccc(CCC[NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)c[nH+]1 ZINC000492276445 311232866 /nfs/dbraw/zinc/23/28/66/311232866.db2.gz KXIMIVVMQHQIRZ-UHFFFAOYSA-N 2 2 333.476 3.360 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000492540655 311263358 /nfs/dbraw/zinc/26/33/58/311263358.db2.gz WAXNAZYJKCKFGQ-KTKRTIGZSA-N 2 2 346.519 3.277 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000492797280 311292222 /nfs/dbraw/zinc/29/22/22/311292222.db2.gz YADWKNBNXKNDRV-HRCADAONSA-N 2 2 348.491 3.014 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)CC3 ZINC000493050322 311321208 /nfs/dbraw/zinc/32/12/08/311321208.db2.gz BRCSADNMMSOJAO-MGPUTAFESA-N 2 2 343.540 3.361 20 0 EGADLP Clc1cccc(N2CCCC2)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494402198 311475492 /nfs/dbraw/zinc/47/54/92/311475492.db2.gz DBTUXOPKNFTIDO-AWEZNQCLSA-N 2 2 330.863 3.241 20 0 EGADLP FC(F)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000494427488 311477339 /nfs/dbraw/zinc/47/73/39/311477339.db2.gz SGBLEXOSRAPAGV-LLVKDONJSA-N 2 2 327.762 3.243 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000495258998 311545011 /nfs/dbraw/zinc/54/50/11/311545011.db2.gz IFAUWBYDSCVBFN-WOJBJXKFSA-N 2 2 338.495 3.315 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514081 312211917 /nfs/dbraw/zinc/21/19/17/312211917.db2.gz VXSZILKGGHJJGJ-UYWIDEMCSA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514081 312211919 /nfs/dbraw/zinc/21/19/19/312211919.db2.gz VXSZILKGGHJJGJ-UYWIDEMCSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514081 312211920 /nfs/dbraw/zinc/21/19/20/312211920.db2.gz VXSZILKGGHJJGJ-UYWIDEMCSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514081 312211921 /nfs/dbraw/zinc/21/19/21/312211921.db2.gz VXSZILKGGHJJGJ-UYWIDEMCSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105312 312224976 /nfs/dbraw/zinc/22/49/76/312224976.db2.gz QMJBDWBUUPZJFQ-CRAIPNDOSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105312 312224978 /nfs/dbraw/zinc/22/49/78/312224978.db2.gz QMJBDWBUUPZJFQ-CRAIPNDOSA-N 2 2 340.458 3.232 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000515497106 312285909 /nfs/dbraw/zinc/28/59/09/312285909.db2.gz TUAUYSWQOATDHV-FHLIZLRMSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000516367329 312321512 /nfs/dbraw/zinc/32/15/12/312321512.db2.gz TUGHOMXEVBFSDU-KGLIPLIRSA-N 2 2 325.294 3.312 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000516367329 312321513 /nfs/dbraw/zinc/32/15/13/312321513.db2.gz TUGHOMXEVBFSDU-KGLIPLIRSA-N 2 2 325.294 3.312 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)ccn12 ZINC000516581050 312331319 /nfs/dbraw/zinc/33/13/19/312331319.db2.gz ALFILUOBQPMGBQ-HZPDHXFCSA-N 2 2 342.487 3.131 20 0 EGADLP CNc1cc(N2CCC[C@H]2C[NH2+]C/C(C)=C\c2ccccc2)nc[nH+]1 ZINC000517546203 312383203 /nfs/dbraw/zinc/38/32/03/312383203.db2.gz WZVZOWYLTRKDJB-QMJOVRGKSA-N 2 2 337.471 3.180 20 0 EGADLP CCO[C@H](CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000520219955 312496839 /nfs/dbraw/zinc/49/68/39/312496839.db2.gz PJCIKINLWKBEDR-YLJYHZDGSA-N 2 2 347.503 3.055 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529523600 313342031 /nfs/dbraw/zinc/34/20/31/313342031.db2.gz WQVIYHCMWCEJIR-UHFFFAOYSA-N 2 2 346.700 3.271 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncc(Cl)cc1Br ZINC000529568830 313358414 /nfs/dbraw/zinc/35/84/14/313358414.db2.gz XIFWUWMIFPPHHV-UHFFFAOYSA-N 2 2 343.656 3.216 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncc(Cl)cc1Br ZINC000529568830 313358418 /nfs/dbraw/zinc/35/84/18/313358418.db2.gz XIFWUWMIFPPHHV-UHFFFAOYSA-N 2 2 343.656 3.216 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccccc1Br ZINC000090047459 454266566 /nfs/dbraw/zinc/26/65/66/454266566.db2.gz SLTWCSTYJXKDQS-ZIAGYGMSSA-N 2 2 341.293 3.211 20 0 EGADLP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000535007997 314011953 /nfs/dbraw/zinc/01/19/53/314011953.db2.gz LTJUUMRRXTVGIG-INIZCTEOSA-N 2 2 336.439 3.416 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000535051664 314020567 /nfs/dbraw/zinc/02/05/67/314020567.db2.gz TVXLMIIOFSEHJH-UHFFFAOYSA-N 2 2 345.834 3.016 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000535051664 314020571 /nfs/dbraw/zinc/02/05/71/314020571.db2.gz TVXLMIIOFSEHJH-UHFFFAOYSA-N 2 2 345.834 3.016 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000535313252 314039848 /nfs/dbraw/zinc/03/98/48/314039848.db2.gz HWKMNXNHZWZRBO-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000535313252 314039852 /nfs/dbraw/zinc/03/98/52/314039852.db2.gz HWKMNXNHZWZRBO-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041724 314090101 /nfs/dbraw/zinc/09/01/01/314090101.db2.gz KPONZCJUKJKTCF-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041724 314090105 /nfs/dbraw/zinc/09/01/05/314090105.db2.gz KPONZCJUKJKTCF-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041724 314090108 /nfs/dbraw/zinc/09/01/08/314090108.db2.gz KPONZCJUKJKTCF-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041724 314090111 /nfs/dbraw/zinc/09/01/11/314090111.db2.gz KPONZCJUKJKTCF-CABCVRRESA-N 2 2 337.895 3.392 20 0 EGADLP Cc1nn2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c(C(C)C)nc2s1 ZINC000536653880 314135924 /nfs/dbraw/zinc/13/59/24/314135924.db2.gz YPVIVIXCKDCSGF-UHFFFAOYSA-N 2 2 344.488 3.256 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@H]1C ZINC000536659716 314136936 /nfs/dbraw/zinc/13/69/36/314136936.db2.gz HDJMLMKFGYAKRQ-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@H]1C ZINC000536659716 314136939 /nfs/dbraw/zinc/13/69/39/314136939.db2.gz HDJMLMKFGYAKRQ-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@H]1C ZINC000536659716 314136941 /nfs/dbraw/zinc/13/69/41/314136941.db2.gz HDJMLMKFGYAKRQ-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@H]1C ZINC000536659716 314136943 /nfs/dbraw/zinc/13/69/43/314136943.db2.gz HDJMLMKFGYAKRQ-VKJFTORMSA-N 2 2 332.488 3.323 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695388 314139429 /nfs/dbraw/zinc/13/94/29/314139429.db2.gz AKBTUBIOSLBEIO-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695388 314139434 /nfs/dbraw/zinc/13/94/34/314139434.db2.gz AKBTUBIOSLBEIO-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695388 314139437 /nfs/dbraw/zinc/13/94/37/314139437.db2.gz AKBTUBIOSLBEIO-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695388 314139441 /nfs/dbraw/zinc/13/94/41/314139441.db2.gz AKBTUBIOSLBEIO-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP c1cc2c(cc1C1([NH2+]CC[NH+]3CCCCC3)CCCC1)OCCO2 ZINC000537039972 314158138 /nfs/dbraw/zinc/15/81/38/314158138.db2.gz YFBVEKOGIOCXCP-UHFFFAOYSA-N 2 2 330.472 3.303 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CCCC1 ZINC000538112757 314227039 /nfs/dbraw/zinc/22/70/39/314227039.db2.gz JGHRKSJKBZRPJP-UWJYYQICSA-N 2 2 346.515 3.484 20 0 EGADLP CCn1cc(C[N@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cn1 ZINC000538727457 314270640 /nfs/dbraw/zinc/27/06/40/314270640.db2.gz SDTGCBDGQYOQJR-UHFFFAOYSA-N 2 2 328.504 3.493 20 0 EGADLP CCn1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)cn1 ZINC000538727457 314270641 /nfs/dbraw/zinc/27/06/41/314270641.db2.gz SDTGCBDGQYOQJR-UHFFFAOYSA-N 2 2 328.504 3.493 20 0 EGADLP CCn1cc(C[NH+](C)CC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000538727457 314270642 /nfs/dbraw/zinc/27/06/42/314270642.db2.gz SDTGCBDGQYOQJR-UHFFFAOYSA-N 2 2 328.504 3.493 20 0 EGADLP CCn1cc(C[NH+](C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000538727457 314270644 /nfs/dbraw/zinc/27/06/44/314270644.db2.gz SDTGCBDGQYOQJR-UHFFFAOYSA-N 2 2 328.504 3.493 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750935 314272855 /nfs/dbraw/zinc/27/28/55/314272855.db2.gz HATIZSILEAMCDS-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750935 314272860 /nfs/dbraw/zinc/27/28/60/314272860.db2.gz HATIZSILEAMCDS-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@H](C[N@H+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750935 314272862 /nfs/dbraw/zinc/27/28/62/314272862.db2.gz HATIZSILEAMCDS-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@H](C[N@@H+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750935 314272866 /nfs/dbraw/zinc/27/28/66/314272866.db2.gz HATIZSILEAMCDS-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)(C)C)c1 ZINC000539336949 314307456 /nfs/dbraw/zinc/30/74/56/314307456.db2.gz LSRRHXBJODZBNV-HNJRGHQBSA-N 2 2 348.531 3.142 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)(C)C)c1 ZINC000539336949 314307459 /nfs/dbraw/zinc/30/74/59/314307459.db2.gz LSRRHXBJODZBNV-HNJRGHQBSA-N 2 2 348.531 3.142 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000539691252 314329690 /nfs/dbraw/zinc/32/96/90/314329690.db2.gz JTUAKXDRJNPVHC-RQXATKFSSA-N 2 2 340.511 3.444 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000539691252 314329693 /nfs/dbraw/zinc/32/96/93/314329693.db2.gz JTUAKXDRJNPVHC-RQXATKFSSA-N 2 2 340.511 3.444 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000550818608 315135376 /nfs/dbraw/zinc/13/53/76/315135376.db2.gz OLACERPCYWTDHD-PMXSJFBMSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@H+]1Cc1ccccc1 ZINC000550818608 315135378 /nfs/dbraw/zinc/13/53/78/315135378.db2.gz OLACERPCYWTDHD-PMXSJFBMSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921645 315137906 /nfs/dbraw/zinc/13/79/06/315137906.db2.gz WHAMDYXNRXOTKO-KBXCAEBGSA-N 2 2 346.544 3.126 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921645 315137907 /nfs/dbraw/zinc/13/79/07/315137907.db2.gz WHAMDYXNRXOTKO-KBXCAEBGSA-N 2 2 346.544 3.126 20 0 EGADLP C[C@H](CCC1CCCC1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000551273334 315147915 /nfs/dbraw/zinc/14/79/15/315147915.db2.gz VXGPAHGRPMEOKP-DYESRHJHSA-N 2 2 330.516 3.354 20 0 EGADLP C[C@H](CCC1CCCC1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000551273334 315147918 /nfs/dbraw/zinc/14/79/18/315147918.db2.gz VXGPAHGRPMEOKP-DYESRHJHSA-N 2 2 330.516 3.354 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214083 /nfs/dbraw/zinc/21/40/83/315214083.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214085 /nfs/dbraw/zinc/21/40/85/315214085.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214086 /nfs/dbraw/zinc/21/40/86/315214086.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000552337376 315214087 /nfs/dbraw/zinc/21/40/87/315214087.db2.gz RVOSMEATUSJTGE-CLAROIROSA-N 3 2 341.543 3.361 20 0 EGADLP CC[C@@H]1CC[C@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000554349139 315312166 /nfs/dbraw/zinc/31/21/66/315312166.db2.gz JYRJQYWSHRRGAQ-NHCUHLMSSA-N 2 2 329.532 3.363 20 0 EGADLP CCc1cnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961035 315359554 /nfs/dbraw/zinc/35/95/54/315359554.db2.gz QWEQWXYZEHSJKV-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961035 315359557 /nfs/dbraw/zinc/35/95/57/315359557.db2.gz QWEQWXYZEHSJKV-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961035 315359560 /nfs/dbraw/zinc/35/95/60/315359560.db2.gz QWEQWXYZEHSJKV-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000554961035 315359563 /nfs/dbraw/zinc/35/95/63/315359563.db2.gz QWEQWXYZEHSJKV-ROUUACIJSA-N 2 2 325.456 3.191 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612255 315394348 /nfs/dbraw/zinc/39/43/48/315394348.db2.gz WFCKTFCDESQZRU-TZIWHRDSSA-N 3 2 329.532 3.363 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612255 315394351 /nfs/dbraw/zinc/39/43/51/315394351.db2.gz WFCKTFCDESQZRU-TZIWHRDSSA-N 3 2 329.532 3.363 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556611359 315445825 /nfs/dbraw/zinc/44/58/25/315445825.db2.gz MRWVJXJIZYLCTI-CYBMUJFWSA-N 2 2 342.443 3.037 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c2[nH+]ccn21 ZINC000556832698 315471974 /nfs/dbraw/zinc/47/19/74/315471974.db2.gz ZSJSSJWGQZVDPN-CRAIPNDOSA-N 2 2 338.455 3.305 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358091 316005606 /nfs/dbraw/zinc/00/56/06/316005606.db2.gz YJHMKSMFMZYKAZ-SJORKVTESA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358091 316005611 /nfs/dbraw/zinc/00/56/11/316005611.db2.gz YJHMKSMFMZYKAZ-SJORKVTESA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CCC(F)(F)C3)c2cc1C ZINC000564320004 316135082 /nfs/dbraw/zinc/13/50/82/316135082.db2.gz SOGALTWCWDRILV-GJZGRUSLSA-N 2 2 337.414 3.039 20 0 EGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000564667996 316185968 /nfs/dbraw/zinc/18/59/68/316185968.db2.gz OUYQSZPPPYZDJL-KRWDZBQOSA-N 2 2 332.419 3.259 20 0 EGADLP Fc1ccc2oc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000564667996 316185970 /nfs/dbraw/zinc/18/59/70/316185970.db2.gz OUYQSZPPPYZDJL-KRWDZBQOSA-N 2 2 332.419 3.259 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000565156773 316276456 /nfs/dbraw/zinc/27/64/56/316276456.db2.gz KQGCHUHFKHCFAO-CQSZACIVSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000565156773 316276459 /nfs/dbraw/zinc/27/64/59/316276459.db2.gz KQGCHUHFKHCFAO-CQSZACIVSA-N 2 2 326.375 3.204 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158415 316276587 /nfs/dbraw/zinc/27/65/87/316276587.db2.gz UFBOFWNPCKLNQE-ABAIWWIYSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158415 316276589 /nfs/dbraw/zinc/27/65/89/316276589.db2.gz UFBOFWNPCKLNQE-ABAIWWIYSA-N 2 2 334.261 3.309 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370100 316316176 /nfs/dbraw/zinc/31/61/76/316316176.db2.gz FTQNOWVADHLWNI-DOTOQJQBSA-N 2 2 347.528 3.424 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370100 316316177 /nfs/dbraw/zinc/31/61/77/316316177.db2.gz FTQNOWVADHLWNI-DOTOQJQBSA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370100 316316179 /nfs/dbraw/zinc/31/61/79/316316179.db2.gz FTQNOWVADHLWNI-DOTOQJQBSA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370100 316316181 /nfs/dbraw/zinc/31/61/81/316316181.db2.gz FTQNOWVADHLWNI-DOTOQJQBSA-N 2 2 347.528 3.424 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000569573458 316933433 /nfs/dbraw/zinc/93/34/33/316933433.db2.gz SKAZYUOFARUHCS-BDQJQXKSSA-N 2 2 338.455 3.477 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781705 317106758 /nfs/dbraw/zinc/10/67/58/317106758.db2.gz JCTZVTGOGANMIF-PKOBYXMFSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781705 317106761 /nfs/dbraw/zinc/10/67/61/317106761.db2.gz JCTZVTGOGANMIF-PKOBYXMFSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000571038391 317142448 /nfs/dbraw/zinc/14/24/48/317142448.db2.gz SJRXBBIJKIEDKP-ILZDJORESA-N 2 2 337.467 3.344 20 0 EGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571752166 317242048 /nfs/dbraw/zinc/24/20/48/317242048.db2.gz BUYGEUFVZREXPJ-WMLDXEAASA-N 2 2 341.846 3.033 20 0 EGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000571752166 317242050 /nfs/dbraw/zinc/24/20/50/317242050.db2.gz BUYGEUFVZREXPJ-WMLDXEAASA-N 2 2 341.846 3.033 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)[nH]c2c1 ZINC000571753124 317242106 /nfs/dbraw/zinc/24/21/06/317242106.db2.gz ZTCZHJVDNRIICK-RXVVDRJESA-N 2 2 348.450 3.217 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cscn1 ZINC000571889481 317262929 /nfs/dbraw/zinc/26/29/29/317262929.db2.gz BZRALUNOGAOANR-KVSKMBFKSA-N 2 2 345.512 3.331 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cscn1 ZINC000571889481 317262932 /nfs/dbraw/zinc/26/29/32/317262932.db2.gz BZRALUNOGAOANR-KVSKMBFKSA-N 2 2 345.512 3.331 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000572090155 317288390 /nfs/dbraw/zinc/28/83/90/317288390.db2.gz HRXCLKVJPVMXTG-CYBMUJFWSA-N 2 2 348.288 3.429 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000572090155 317288394 /nfs/dbraw/zinc/28/83/94/317288394.db2.gz HRXCLKVJPVMXTG-CYBMUJFWSA-N 2 2 348.288 3.429 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccco1 ZINC000573457816 317488871 /nfs/dbraw/zinc/48/88/71/317488871.db2.gz GLXLIYUIQYIBLT-BBRMVZONSA-N 2 2 340.427 3.095 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344031 456116093 /nfs/dbraw/zinc/11/60/93/456116093.db2.gz YWLGYJFBUWPZHY-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344031 456116101 /nfs/dbraw/zinc/11/61/01/456116101.db2.gz YWLGYJFBUWPZHY-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344031 456116110 /nfs/dbraw/zinc/11/61/10/456116110.db2.gz YWLGYJFBUWPZHY-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@H]21 ZINC000227344031 456116113 /nfs/dbraw/zinc/11/61/13/456116113.db2.gz YWLGYJFBUWPZHY-WCQYABFASA-N 2 2 329.307 3.427 20 0 EGADLP COC(=O)C1CCC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000386669827 324269402 /nfs/dbraw/zinc/26/94/02/324269402.db2.gz GDQQPCFDBXKBDY-UHFFFAOYSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)C1CCC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000386669827 324269406 /nfs/dbraw/zinc/26/94/06/324269406.db2.gz GDQQPCFDBXKBDY-UHFFFAOYSA-N 2 2 344.499 3.363 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422864881 324318909 /nfs/dbraw/zinc/31/89/09/324318909.db2.gz WRRBVCZEFUHVAJ-AEFFLSMTSA-N 2 2 326.440 3.336 20 0 EGADLP CC(C)(C[NH2+]Cc1cnc(C2CC2)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000459385480 324359032 /nfs/dbraw/zinc/35/90/32/324359032.db2.gz ILUMJAMMWOILLG-UHFFFAOYSA-N 2 2 336.483 3.281 20 0 EGADLP CC(C)(C[NH2+]Cc1cnc(C2CC2)nc1)[N@H+]1CCc2ccccc2C1 ZINC000459385480 324359037 /nfs/dbraw/zinc/35/90/37/324359037.db2.gz ILUMJAMMWOILLG-UHFFFAOYSA-N 2 2 336.483 3.281 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)[NH+](C)C)cc1 ZINC000576271928 324580685 /nfs/dbraw/zinc/58/06/85/324580685.db2.gz MHXGRYAYFQACEB-DZFGPLHGSA-N 2 2 326.484 3.352 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037917 456611736 /nfs/dbraw/zinc/61/17/36/456611736.db2.gz HXRYBGXQCCZHLT-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037917 456611742 /nfs/dbraw/zinc/61/17/42/456611742.db2.gz HXRYBGXQCCZHLT-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037917 456611752 /nfs/dbraw/zinc/61/17/52/456611752.db2.gz HXRYBGXQCCZHLT-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(O)c3Br)CC[C@@H]21 ZINC000316037917 456611758 /nfs/dbraw/zinc/61/17/58/456611758.db2.gz HXRYBGXQCCZHLT-OCCSQVGLSA-N 2 2 339.277 3.071 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCC[C@@H](C)C3)c2cc1C ZINC000578033706 324908017 /nfs/dbraw/zinc/90/80/17/324908017.db2.gz NTGLNYRBCXWRKR-ZTFGCOKTSA-N 2 2 329.488 3.430 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n1C ZINC000578669803 325002535 /nfs/dbraw/zinc/00/25/35/325002535.db2.gz TWNAOOZGWJGKDC-GFCCVEGCSA-N 2 2 327.407 3.213 20 0 EGADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)ccc1Oc1cc[nH+]cc1 ZINC000578763150 325016027 /nfs/dbraw/zinc/01/60/27/325016027.db2.gz NRDYHVWXRPEQHB-OAHLLOKOSA-N 2 2 325.412 3.461 20 0 EGADLP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000579941857 325179916 /nfs/dbraw/zinc/17/99/16/325179916.db2.gz HTXYCNHUWZSOOS-WOJBJXKFSA-N 2 2 337.467 3.019 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655426 325279589 /nfs/dbraw/zinc/27/95/89/325279589.db2.gz YJWHLCXBWJQWRA-MAODMQOUSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655426 325279590 /nfs/dbraw/zinc/27/95/90/325279590.db2.gz YJWHLCXBWJQWRA-MAODMQOUSA-N 2 2 342.458 3.154 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979331 325316129 /nfs/dbraw/zinc/31/61/29/325316129.db2.gz OUXNSEXEBNXXCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979331 325316131 /nfs/dbraw/zinc/31/61/31/325316131.db2.gz OUXNSEXEBNXXCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000580979331 325316134 /nfs/dbraw/zinc/31/61/34/325316134.db2.gz OUXNSEXEBNXXCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000580979331 325316136 /nfs/dbraw/zinc/31/61/36/325316136.db2.gz OUXNSEXEBNXXCF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP c1nc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc2[nH]1 ZINC000581049614 325323779 /nfs/dbraw/zinc/32/37/79/325323779.db2.gz CGMMBGSLYWBRFE-UHFFFAOYSA-N 2 2 335.455 3.475 20 0 EGADLP c1nc2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2[nH]1 ZINC000581049614 325323780 /nfs/dbraw/zinc/32/37/80/325323780.db2.gz CGMMBGSLYWBRFE-UHFFFAOYSA-N 2 2 335.455 3.475 20 0 EGADLP C[C@]1(c2ccccc2)C[N@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067412 325326653 /nfs/dbraw/zinc/32/66/53/325326653.db2.gz KAHMPFFKPLDZOE-YLJYHZDGSA-N 2 2 328.431 3.116 20 0 EGADLP C[C@]1(c2ccccc2)C[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067412 325326655 /nfs/dbraw/zinc/32/66/55/325326655.db2.gz KAHMPFFKPLDZOE-YLJYHZDGSA-N 2 2 328.431 3.116 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000581998062 325405206 /nfs/dbraw/zinc/40/52/06/325405206.db2.gz SEIOMQARULBBIR-DVOMOZLQSA-N 2 2 332.410 3.447 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3CCC(F)(F)CC3)c2cc1C ZINC000582481856 325444959 /nfs/dbraw/zinc/44/49/59/325444959.db2.gz JTGMWAUWNVFOSO-HNNXBMFYSA-N 2 2 337.414 3.182 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000583257669 325508905 /nfs/dbraw/zinc/50/89/05/325508905.db2.gz PCKSIVLVNLFFNA-OGVSOVDVSA-N 2 2 330.394 3.074 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@]3(O)CCC[C@@H](C(F)(F)F)C3)n2c1 ZINC000189627655 455224358 /nfs/dbraw/zinc/22/43/58/455224358.db2.gz PMKXVUPUBUCUGY-CZUORRHYSA-N 2 2 341.377 3.216 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CCC[C@@H]4[NH3+])cc3)[nH+]c12 ZINC000237858826 455225946 /nfs/dbraw/zinc/22/59/46/455225946.db2.gz BVXRPURRPPGUNT-SJORKVTESA-N 2 2 334.423 3.376 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@@H](c3ccccc3)[NH+]3CCCC3)cc12 ZINC000237891608 455229645 /nfs/dbraw/zinc/22/96/45/455229645.db2.gz IIJUIJUCWGYUNI-FQEVSTJZSA-N 2 2 349.482 3.203 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000180720124 455233430 /nfs/dbraw/zinc/23/34/30/455233430.db2.gz RYTGPVBQFBDUEE-HOCLYGCPSA-N 2 2 341.484 3.428 20 0 EGADLP O[C@@H](C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1)c1ccco1 ZINC000183185485 455245951 /nfs/dbraw/zinc/24/59/51/455245951.db2.gz DYKXFNMHGVLTMD-SFHVURJKSA-N 2 2 325.412 3.102 20 0 EGADLP O[C@@H](C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1)c1ccco1 ZINC000183185485 455245958 /nfs/dbraw/zinc/24/59/58/455245958.db2.gz DYKXFNMHGVLTMD-SFHVURJKSA-N 2 2 325.412 3.102 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000264647824 455255413 /nfs/dbraw/zinc/25/54/13/455255413.db2.gz ZLFHCYJVTXISEZ-QGZVFWFLSA-N 2 2 340.471 3.053 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000158059219 455264202 /nfs/dbraw/zinc/26/42/02/455264202.db2.gz JCUOTAAKEBVLLV-UONOGXRCSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000158059219 455264206 /nfs/dbraw/zinc/26/42/06/455264206.db2.gz JCUOTAAKEBVLLV-UONOGXRCSA-N 2 2 339.277 3.174 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245450780 455304006 /nfs/dbraw/zinc/30/40/06/455304006.db2.gz OXSZAKJGMAUHBY-LPHOPBHVSA-N 2 2 347.503 3.076 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245450780 455304010 /nfs/dbraw/zinc/30/40/10/455304010.db2.gz OXSZAKJGMAUHBY-LPHOPBHVSA-N 2 2 347.503 3.076 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245448432 455304242 /nfs/dbraw/zinc/30/42/42/455304242.db2.gz MWIFIZPNEVUTFP-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245448432 455304246 /nfs/dbraw/zinc/30/42/46/455304246.db2.gz MWIFIZPNEVUTFP-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448432 455304247 /nfs/dbraw/zinc/30/42/47/455304247.db2.gz MWIFIZPNEVUTFP-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448432 455304248 /nfs/dbraw/zinc/30/42/48/455304248.db2.gz MWIFIZPNEVUTFP-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245578580 455334047 /nfs/dbraw/zinc/33/40/47/455334047.db2.gz IFJGYOACTYKONB-IEZWGBDMSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245578580 455334050 /nfs/dbraw/zinc/33/40/50/455334050.db2.gz IFJGYOACTYKONB-IEZWGBDMSA-N 2 2 340.471 3.410 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000029043802 453826041 /nfs/dbraw/zinc/82/60/41/453826041.db2.gz VLKTXQVSHUUDGW-UHFFFAOYSA-N 2 2 336.439 3.299 20 0 EGADLP Brc1ccsc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265760377 455376168 /nfs/dbraw/zinc/37/61/68/455376168.db2.gz GWNVQAXXVKZJKV-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1ccsc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265760377 455376169 /nfs/dbraw/zinc/37/61/69/455376169.db2.gz GWNVQAXXVKZJKV-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516117 453881181 /nfs/dbraw/zinc/88/11/81/453881181.db2.gz CXRIEDNYRCLSLK-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516117 453881185 /nfs/dbraw/zinc/88/11/85/453881185.db2.gz CXRIEDNYRCLSLK-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516117 453881188 /nfs/dbraw/zinc/88/11/88/453881188.db2.gz CXRIEDNYRCLSLK-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000081516117 453881194 /nfs/dbraw/zinc/88/11/94/453881194.db2.gz CXRIEDNYRCLSLK-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000036833928 453931947 /nfs/dbraw/zinc/93/19/47/453931947.db2.gz SVPBOOQPDIHFOU-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860785 453932020 /nfs/dbraw/zinc/93/20/20/453932020.db2.gz YAJLBCHOBATNFB-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860785 453932022 /nfs/dbraw/zinc/93/20/22/453932022.db2.gz YAJLBCHOBATNFB-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860785 453932023 /nfs/dbraw/zinc/93/20/23/453932023.db2.gz YAJLBCHOBATNFB-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860785 453932025 /nfs/dbraw/zinc/93/20/25/453932025.db2.gz YAJLBCHOBATNFB-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000076002501 453947951 /nfs/dbraw/zinc/94/79/51/453947951.db2.gz NPKFJPBBQZKRGT-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000076002501 453947954 /nfs/dbraw/zinc/94/79/54/453947954.db2.gz NPKFJPBBQZKRGT-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076002945 453947976 /nfs/dbraw/zinc/94/79/76/453947976.db2.gz HNMHATSFPOCASC-ZWKOTPCHSA-N 2 2 331.504 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076002945 453947978 /nfs/dbraw/zinc/94/79/78/453947978.db2.gz HNMHATSFPOCASC-ZWKOTPCHSA-N 2 2 331.504 3.092 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083470978 453949790 /nfs/dbraw/zinc/94/97/90/453949790.db2.gz MXAUKGASIGMFCY-ZDUSSCGKSA-N 2 2 337.514 3.072 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094240 453968859 /nfs/dbraw/zinc/96/88/59/453968859.db2.gz QGXUBVPZSFLTMG-INIZCTEOSA-N 2 2 335.517 3.234 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094240 453968861 /nfs/dbraw/zinc/96/88/61/453968861.db2.gz QGXUBVPZSFLTMG-INIZCTEOSA-N 2 2 335.517 3.234 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094240 453968863 /nfs/dbraw/zinc/96/88/63/453968863.db2.gz QGXUBVPZSFLTMG-INIZCTEOSA-N 2 2 335.517 3.234 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094240 453968867 /nfs/dbraw/zinc/96/88/67/453968867.db2.gz QGXUBVPZSFLTMG-INIZCTEOSA-N 2 2 335.517 3.234 20 0 EGADLP CCC1CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000620344334 460622007 /nfs/dbraw/zinc/62/20/07/460622007.db2.gz IMXFQFLOEDUDCE-UHFFFAOYSA-N 2 2 346.515 3.456 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000068389660 454022472 /nfs/dbraw/zinc/02/24/72/454022472.db2.gz HVAUZCVAFXBKKN-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353182 454097851 /nfs/dbraw/zinc/09/78/51/454097851.db2.gz XGMYUSOYHGDWMB-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077445264 454106799 /nfs/dbraw/zinc/10/67/99/454106799.db2.gz FQVASKNBXAXAEE-HNNXBMFYSA-N 2 2 341.459 3.083 20 0 EGADLP Fc1ccc(Br)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045107221 454139637 /nfs/dbraw/zinc/13/96/37/454139637.db2.gz ZVQNHSMLASHNFS-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069858006 454153352 /nfs/dbraw/zinc/15/33/52/454153352.db2.gz KSWBVTFBYXTFKX-IBGZPJMESA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069858006 454153354 /nfs/dbraw/zinc/15/33/54/454153354.db2.gz KSWBVTFBYXTFKX-IBGZPJMESA-N 2 2 332.488 3.018 20 0 EGADLP c1csc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000089614481 454167548 /nfs/dbraw/zinc/16/75/48/454167548.db2.gz DLLJVZPXHJPQFX-UHFFFAOYSA-N 2 2 339.468 3.087 20 0 EGADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000078260676 454219341 /nfs/dbraw/zinc/21/93/41/454219341.db2.gz XABHAXJEJHQBPK-HNNXBMFYSA-N 2 2 336.361 3.490 20 0 EGADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000078260676 454219343 /nfs/dbraw/zinc/21/93/43/454219343.db2.gz XABHAXJEJHQBPK-HNNXBMFYSA-N 2 2 336.361 3.490 20 0 EGADLP CCc1cc(NCCCCn2cc[nH+]c2C)nc(-c2ccncc2)[nH+]1 ZINC000078336022 454234587 /nfs/dbraw/zinc/23/45/87/454234587.db2.gz YENJCHRATFMVSA-UHFFFAOYSA-N 2 2 336.443 3.498 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119936446 454237922 /nfs/dbraw/zinc/23/79/22/454237922.db2.gz OKESQXOVOZQCIA-XDNAFOTISA-N 2 2 334.504 3.276 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119936446 454237928 /nfs/dbraw/zinc/23/79/28/454237928.db2.gz OKESQXOVOZQCIA-XDNAFOTISA-N 2 2 334.504 3.276 20 0 EGADLP COc1ccc(CC[N@H+](CCn2cc[nH+]c2)CC(C)C)cc1OC ZINC000131359511 454247865 /nfs/dbraw/zinc/24/78/65/454247865.db2.gz LDIYVVIAENXUSK-UHFFFAOYSA-N 2 2 331.460 3.101 20 0 EGADLP COc1ccc(CC[N@@H+](CCn2cc[nH+]c2)CC(C)C)cc1OC ZINC000131359511 454247871 /nfs/dbraw/zinc/24/78/71/454247871.db2.gz LDIYVVIAENXUSK-UHFFFAOYSA-N 2 2 331.460 3.101 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131761717 454283105 /nfs/dbraw/zinc/28/31/05/454283105.db2.gz IBNPTCWRKVLPII-QGZVFWFLSA-N 2 2 328.412 3.012 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131761717 454283108 /nfs/dbraw/zinc/28/31/08/454283108.db2.gz IBNPTCWRKVLPII-QGZVFWFLSA-N 2 2 328.412 3.012 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000120344871 454289244 /nfs/dbraw/zinc/28/92/44/454289244.db2.gz WUNGJLFXYXIWHQ-HNNXBMFYSA-N 2 2 330.457 3.410 20 0 EGADLP CCCCOC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305296 454293119 /nfs/dbraw/zinc/29/31/19/454293119.db2.gz MVHXWBVERDGTRG-KRWDZBQOSA-N 2 2 347.503 3.352 20 0 EGADLP CCCCOC(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305296 454293124 /nfs/dbraw/zinc/29/31/24/454293124.db2.gz MVHXWBVERDGTRG-KRWDZBQOSA-N 2 2 347.503 3.352 20 0 EGADLP CCOCCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000090457654 454308341 /nfs/dbraw/zinc/30/83/41/454308341.db2.gz IEROSNITGVLGKB-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnn(C)c1 ZINC000090667917 454334317 /nfs/dbraw/zinc/33/43/17/454334317.db2.gz GRVPHYBBKODQOG-HNAYVOBHSA-N 2 2 327.476 3.081 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000090667086 454334825 /nfs/dbraw/zinc/33/48/25/454334825.db2.gz AENBRDIBPLZHRW-BEFAXECRSA-N 2 2 339.487 3.008 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090763002 454338722 /nfs/dbraw/zinc/33/87/22/454338722.db2.gz SOKSNXLPJIUAIT-VCBZYWHSSA-N 2 2 342.487 3.290 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090763002 454338730 /nfs/dbraw/zinc/33/87/30/454338730.db2.gz SOKSNXLPJIUAIT-VCBZYWHSSA-N 2 2 342.487 3.290 20 0 EGADLP COc1cc(C)cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000090724111 454338767 /nfs/dbraw/zinc/33/87/67/454338767.db2.gz CBIZYAYTSVGGOZ-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CCCCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000047627978 454391460 /nfs/dbraw/zinc/39/14/60/454391460.db2.gz RUQSELVVHDCGAO-UHFFFAOYSA-N 2 2 346.519 3.021 20 0 EGADLP CCCCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000047627978 454391464 /nfs/dbraw/zinc/39/14/64/454391464.db2.gz RUQSELVVHDCGAO-UHFFFAOYSA-N 2 2 346.519 3.021 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000121560367 454452552 /nfs/dbraw/zinc/45/25/52/454452552.db2.gz BXMSHAOWKXWALA-QGZVFWFLSA-N 2 2 330.476 3.366 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144410 454461719 /nfs/dbraw/zinc/46/17/19/454461719.db2.gz DQAUMJNNWMWASI-KBXCAEBGSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144410 454461721 /nfs/dbraw/zinc/46/17/21/454461721.db2.gz DQAUMJNNWMWASI-KBXCAEBGSA-N 2 2 346.421 3.035 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043253 454508302 /nfs/dbraw/zinc/50/83/02/454508302.db2.gz NISPYSYNDAISMM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043253 454508304 /nfs/dbraw/zinc/50/83/04/454508304.db2.gz NISPYSYNDAISMM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043253 454508306 /nfs/dbraw/zinc/50/83/06/454508306.db2.gz NISPYSYNDAISMM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043253 454508307 /nfs/dbraw/zinc/50/83/07/454508307.db2.gz NISPYSYNDAISMM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2OC)CC[C@@H]1[NH3+] ZINC000122272732 454518337 /nfs/dbraw/zinc/51/83/37/454518337.db2.gz BEKWADLFXFSDRI-RISCZKNCSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OC)CC[C@@H]1[NH3+] ZINC000122272732 454518340 /nfs/dbraw/zinc/51/83/40/454518340.db2.gz BEKWADLFXFSDRI-RISCZKNCSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]3C3CCC3)c2cc1C ZINC000102927945 454528060 /nfs/dbraw/zinc/52/80/60/454528060.db2.gz UBPYAJGIYYUPEU-IEBWSBKVSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]3C3CCC3)c2cc1C ZINC000102927945 454528061 /nfs/dbraw/zinc/52/80/61/454528061.db2.gz UBPYAJGIYYUPEU-IEBWSBKVSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253344 454541656 /nfs/dbraw/zinc/54/16/56/454541656.db2.gz DETPOGLUXCOFPD-FQEVSTJZSA-N 2 2 340.515 3.322 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253344 454541663 /nfs/dbraw/zinc/54/16/63/454541663.db2.gz DETPOGLUXCOFPD-FQEVSTJZSA-N 2 2 340.515 3.322 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253344 454541668 /nfs/dbraw/zinc/54/16/68/454541668.db2.gz DETPOGLUXCOFPD-FQEVSTJZSA-N 2 2 340.515 3.322 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253344 454541675 /nfs/dbraw/zinc/54/16/75/454541675.db2.gz DETPOGLUXCOFPD-FQEVSTJZSA-N 2 2 340.515 3.322 20 0 EGADLP COc1ccc2oc(C[NH2+]CCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c1 ZINC000123026987 454593388 /nfs/dbraw/zinc/59/33/88/454593388.db2.gz BZYQWKRDGXPUOJ-GJZGRUSLSA-N 2 2 332.444 3.030 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000080958969 454657697 /nfs/dbraw/zinc/65/76/97/454657697.db2.gz CUGARBBHQRKJFY-INIZCTEOSA-N 2 2 337.427 3.272 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000080958969 454657703 /nfs/dbraw/zinc/65/77/03/454657703.db2.gz CUGARBBHQRKJFY-INIZCTEOSA-N 2 2 337.427 3.272 20 0 EGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(C4CC4)n3)CC2)C[C@H](C)O1 ZINC000135345310 454667449 /nfs/dbraw/zinc/66/74/49/454667449.db2.gz QTOMEKVNYNXQEU-GJZGRUSLSA-N 2 2 349.544 3.342 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093016936 454671108 /nfs/dbraw/zinc/67/11/08/454671108.db2.gz BXDKNKKLLBXFKB-SFHVURJKSA-N 2 2 340.467 3.491 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093016936 454671115 /nfs/dbraw/zinc/67/11/15/454671115.db2.gz BXDKNKKLLBXFKB-SFHVURJKSA-N 2 2 340.467 3.491 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000106217005 454686726 /nfs/dbraw/zinc/68/67/26/454686726.db2.gz UIFNMIVVBAQSRT-FUHWJXTLSA-N 2 2 346.519 3.167 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000106217005 454686730 /nfs/dbraw/zinc/68/67/30/454686730.db2.gz UIFNMIVVBAQSRT-FUHWJXTLSA-N 2 2 346.519 3.167 20 0 EGADLP Cn1c(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc2ccccc21 ZINC000124384308 454725836 /nfs/dbraw/zinc/72/58/36/454725836.db2.gz MNADPAKAYFHWNU-UHFFFAOYSA-N 2 2 345.450 3.481 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194811 454728258 /nfs/dbraw/zinc/72/82/58/454728258.db2.gz PLZAKWKRFLRXOI-GUYCJALGSA-N 2 2 326.843 3.241 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136194811 454728262 /nfs/dbraw/zinc/72/82/62/454728262.db2.gz PLZAKWKRFLRXOI-GUYCJALGSA-N 2 2 326.843 3.241 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635008379 460652614 /nfs/dbraw/zinc/65/26/14/460652614.db2.gz JNDIANOMTLFGHY-PWSUYJOCSA-N 2 2 336.785 3.215 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000162726118 454796630 /nfs/dbraw/zinc/79/66/30/454796630.db2.gz UQPBLGKNXGWEAN-BEFAXECRSA-N 2 2 341.455 3.312 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000162726118 454796633 /nfs/dbraw/zinc/79/66/33/454796633.db2.gz UQPBLGKNXGWEAN-BEFAXECRSA-N 2 2 341.455 3.312 20 0 EGADLP Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000153682001 454820266 /nfs/dbraw/zinc/82/02/66/454820266.db2.gz OYRXANZZNKCVEK-KRWDZBQOSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000153682001 454820269 /nfs/dbraw/zinc/82/02/69/454820269.db2.gz OYRXANZZNKCVEK-KRWDZBQOSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000109794237 454836473 /nfs/dbraw/zinc/83/64/73/454836473.db2.gz RJJNBXWMZMBBSB-UHFFFAOYSA-N 2 2 326.444 3.084 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796427 454836871 /nfs/dbraw/zinc/83/68/71/454836871.db2.gz MHRWDVXZPSKZAM-UHFFFAOYSA-N 2 2 332.835 3.121 20 0 EGADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCOC1 ZINC000153976621 454853915 /nfs/dbraw/zinc/85/39/15/454853915.db2.gz KGZXTVHWTUTRGC-SXLOBPIMSA-N 2 2 346.515 3.291 20 0 EGADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000165823652 454904909 /nfs/dbraw/zinc/90/49/09/454904909.db2.gz BJELSUJQWBPJRY-QGZVFWFLSA-N 2 2 326.444 3.198 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000177987867 454924769 /nfs/dbraw/zinc/92/47/69/454924769.db2.gz HPDYXMVPZOQUCX-LBPRGKRZSA-N 2 2 347.272 3.207 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000177987867 454924774 /nfs/dbraw/zinc/92/47/74/454924774.db2.gz HPDYXMVPZOQUCX-LBPRGKRZSA-N 2 2 347.272 3.207 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000127341901 454955083 /nfs/dbraw/zinc/95/50/83/454955083.db2.gz HCCKWSAIZORZBM-UHFFFAOYSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000127341901 454955088 /nfs/dbraw/zinc/95/50/88/454955088.db2.gz HCCKWSAIZORZBM-UHFFFAOYSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000127341901 454955093 /nfs/dbraw/zinc/95/50/93/454955093.db2.gz HCCKWSAIZORZBM-UHFFFAOYSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000127341901 454955097 /nfs/dbraw/zinc/95/50/97/454955097.db2.gz HCCKWSAIZORZBM-UHFFFAOYSA-N 2 2 326.488 3.178 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000178718985 454969240 /nfs/dbraw/zinc/96/92/40/454969240.db2.gz HJIPBTQGGUYCQY-CVEARBPZSA-N 2 2 338.455 3.342 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)n1-c1ccccc1 ZINC000151333290 454970748 /nfs/dbraw/zinc/97/07/48/454970748.db2.gz KUGVVHHHNJLHQH-VQIMIIECSA-N 2 2 343.496 3.325 20 0 EGADLP C[N@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccc(F)cc1 ZINC000127515988 454972730 /nfs/dbraw/zinc/97/27/30/454972730.db2.gz VLACFFDVIRHUSF-IBGZPJMESA-N 2 2 338.430 3.360 20 0 EGADLP C[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccc(F)cc1 ZINC000127515988 454972733 /nfs/dbraw/zinc/97/27/33/454972733.db2.gz VLACFFDVIRHUSF-IBGZPJMESA-N 2 2 338.430 3.360 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336527 454988549 /nfs/dbraw/zinc/98/85/49/454988549.db2.gz LEOYXLUAGKQLLP-FFZOFVMBSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc21 ZINC000155336527 454988550 /nfs/dbraw/zinc/98/85/50/454988550.db2.gz LEOYXLUAGKQLLP-FFZOFVMBSA-N 2 2 343.515 3.157 20 0 EGADLP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000171109846 455030665 /nfs/dbraw/zinc/03/06/65/455030665.db2.gz JFLSMHDXPTWDQF-MRXNPFEDSA-N 2 2 334.460 3.010 20 0 EGADLP COC(=O)c1coc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000171109846 455030668 /nfs/dbraw/zinc/03/06/68/455030668.db2.gz JFLSMHDXPTWDQF-MRXNPFEDSA-N 2 2 334.460 3.010 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000116383738 455054276 /nfs/dbraw/zinc/05/42/76/455054276.db2.gz AMOWGTBZQSOKIC-KDOFPFPSSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000116383738 455054278 /nfs/dbraw/zinc/05/42/78/455054278.db2.gz AMOWGTBZQSOKIC-KDOFPFPSSA-N 2 2 331.410 3.360 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000152404535 455114560 /nfs/dbraw/zinc/11/45/60/455114560.db2.gz PTNRGOPTWQAUOR-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000152404535 455114563 /nfs/dbraw/zinc/11/45/63/455114563.db2.gz PTNRGOPTWQAUOR-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000152404535 455114565 /nfs/dbraw/zinc/11/45/65/455114565.db2.gz PTNRGOPTWQAUOR-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000152404535 455114567 /nfs/dbraw/zinc/11/45/67/455114567.db2.gz PTNRGOPTWQAUOR-UYAOXDASSA-N 2 2 345.531 3.164 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(Cl)c1OC ZINC000623655703 460664004 /nfs/dbraw/zinc/66/40/04/460664004.db2.gz CDGGOXISJULJNI-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(Cl)c1OC ZINC000623655703 460664010 /nfs/dbraw/zinc/66/40/10/460664010.db2.gz CDGGOXISJULJNI-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccco1 ZINC000156595931 455135815 /nfs/dbraw/zinc/13/58/15/455135815.db2.gz YOMNTZJGKDQACK-LJQANCHMSA-N 2 2 328.456 3.264 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180152000 455140928 /nfs/dbraw/zinc/14/09/28/455140928.db2.gz UZDKTCBKNDHYRK-APWZRJJASA-N 2 2 330.447 3.347 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180152000 455140931 /nfs/dbraw/zinc/14/09/31/455140931.db2.gz UZDKTCBKNDHYRK-APWZRJJASA-N 2 2 330.447 3.347 20 0 EGADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180152000 455140932 /nfs/dbraw/zinc/14/09/32/455140932.db2.gz UZDKTCBKNDHYRK-APWZRJJASA-N 2 2 330.447 3.347 20 0 EGADLP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180152000 455140935 /nfs/dbraw/zinc/14/09/35/455140935.db2.gz UZDKTCBKNDHYRK-APWZRJJASA-N 2 2 330.447 3.347 20 0 EGADLP C[NH+]1CCN(c2ccc(NCc3ccc(Cl)cc3F)[nH+]c2)CC1 ZINC000189270845 455166914 /nfs/dbraw/zinc/16/69/14/455166914.db2.gz MVZYIACFARYSEQ-UHFFFAOYSA-N 2 2 334.826 3.238 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644814 455167377 /nfs/dbraw/zinc/16/73/77/455167377.db2.gz YEZNTUXVYCOPQD-HZPDHXFCSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172644814 455167380 /nfs/dbraw/zinc/16/73/80/455167380.db2.gz YEZNTUXVYCOPQD-HZPDHXFCSA-N 2 2 349.906 3.393 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000237511972 455191686 /nfs/dbraw/zinc/19/16/86/455191686.db2.gz GELHWZQQAOQZJN-FXAWDEMLSA-N 2 2 337.467 3.440 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000237511972 455191691 /nfs/dbraw/zinc/19/16/91/455191691.db2.gz GELHWZQQAOQZJN-FXAWDEMLSA-N 2 2 337.467 3.440 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000158994650 455343413 /nfs/dbraw/zinc/34/34/13/455343413.db2.gz OBMUEQLUYWZULA-XLIONFOSSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000158994650 455343417 /nfs/dbraw/zinc/34/34/17/455343417.db2.gz OBMUEQLUYWZULA-XLIONFOSSA-N 2 2 327.472 3.442 20 0 EGADLP CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000245629749 455344613 /nfs/dbraw/zinc/34/46/13/455344613.db2.gz PVHKTYYHOATRTF-KBPBESRZSA-N 2 2 349.504 3.072 20 0 EGADLP CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000245629749 455344615 /nfs/dbraw/zinc/34/46/15/455344615.db2.gz PVHKTYYHOATRTF-KBPBESRZSA-N 2 2 349.504 3.072 20 0 EGADLP CC[C@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCC[NH2+]1 ZINC000184149524 455357467 /nfs/dbraw/zinc/35/74/67/455357467.db2.gz KGYVYFVPYIKTQT-LJQANCHMSA-N 2 2 326.444 3.233 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245724528 455365351 /nfs/dbraw/zinc/36/53/51/455365351.db2.gz QOKCGGIMPKSWJT-UHOSZYNNSA-N 2 2 337.552 3.074 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245724528 455365354 /nfs/dbraw/zinc/36/53/54/455365354.db2.gz QOKCGGIMPKSWJT-UHOSZYNNSA-N 2 2 337.552 3.074 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000245935659 455403255 /nfs/dbraw/zinc/40/32/55/455403255.db2.gz JBEYWMAYBHFQRW-QRVBRYPASA-N 2 2 330.451 3.111 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245946037 455405398 /nfs/dbraw/zinc/40/53/98/455405398.db2.gz KNFFNORHQSKLHR-COPLHBTASA-N 2 2 332.414 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245946037 455405394 /nfs/dbraw/zinc/40/53/94/455405394.db2.gz KNFFNORHQSKLHR-COPLHBTASA-N 2 2 332.414 3.196 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246823030 455527589 /nfs/dbraw/zinc/52/75/89/455527589.db2.gz BGLWPVOHZMLPHN-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246823030 455527591 /nfs/dbraw/zinc/52/75/91/455527591.db2.gz BGLWPVOHZMLPHN-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246837699 455529253 /nfs/dbraw/zinc/52/92/53/455529253.db2.gz OONSCMPWWAHJJJ-QBYKVAOYSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246837699 455529254 /nfs/dbraw/zinc/52/92/54/455529254.db2.gz OONSCMPWWAHJJJ-QBYKVAOYSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246837699 455529255 /nfs/dbraw/zinc/52/92/55/455529255.db2.gz OONSCMPWWAHJJJ-QBYKVAOYSA-N 2 2 347.547 3.019 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247066291 455554625 /nfs/dbraw/zinc/55/46/25/455554625.db2.gz VMSYZUYYQRLUJQ-CJNGLKHVSA-N 2 2 325.416 3.258 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247066291 455554628 /nfs/dbraw/zinc/55/46/28/455554628.db2.gz VMSYZUYYQRLUJQ-CJNGLKHVSA-N 2 2 325.416 3.258 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000247138902 455564544 /nfs/dbraw/zinc/56/45/44/455564544.db2.gz WBGGPKDBIBWELF-ZSXPUABSSA-N 2 2 329.532 3.450 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000247138902 455564546 /nfs/dbraw/zinc/56/45/46/455564546.db2.gz WBGGPKDBIBWELF-ZSXPUABSSA-N 2 2 329.532 3.450 20 0 EGADLP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c(C)[nH+]1 ZINC000192227035 455577332 /nfs/dbraw/zinc/57/73/32/455577332.db2.gz MCSSURPWIBDLQO-IBGZPJMESA-N 2 2 340.471 3.105 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000182733902 455578306 /nfs/dbraw/zinc/57/83/06/455578306.db2.gz ZRWWCSNARMBCMD-OAHLLOKOSA-N 2 2 338.496 3.111 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247301635 455585243 /nfs/dbraw/zinc/58/52/43/455585243.db2.gz FKXLUVMPFKAILF-LNLFQRSKSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247301635 455585245 /nfs/dbraw/zinc/58/52/45/455585245.db2.gz FKXLUVMPFKAILF-LNLFQRSKSA-N 2 2 340.471 3.410 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000192283188 455586710 /nfs/dbraw/zinc/58/67/10/455586710.db2.gz NLWJSIJILDRDDU-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000192283188 455586712 /nfs/dbraw/zinc/58/67/12/455586712.db2.gz NLWJSIJILDRDDU-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000192283188 455586716 /nfs/dbraw/zinc/58/67/16/455586716.db2.gz NLWJSIJILDRDDU-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000192283188 455586718 /nfs/dbraw/zinc/58/67/18/455586718.db2.gz NLWJSIJILDRDDU-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674964 455593393 /nfs/dbraw/zinc/59/33/93/455593393.db2.gz ZIDZHKAXHLOEOG-DOTOQJQBSA-N 2 2 340.471 3.479 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674964 455593396 /nfs/dbraw/zinc/59/33/96/455593396.db2.gz ZIDZHKAXHLOEOG-DOTOQJQBSA-N 2 2 340.471 3.479 20 0 EGADLP COc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356179 455596209 /nfs/dbraw/zinc/59/62/09/455596209.db2.gz WCRVSYYOEVLSSK-NRFANRHFSA-N 2 2 340.467 3.076 20 0 EGADLP COc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192356179 455596215 /nfs/dbraw/zinc/59/62/15/455596215.db2.gz WCRVSYYOEVLSSK-NRFANRHFSA-N 2 2 340.467 3.076 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193363 455614767 /nfs/dbraw/zinc/61/47/67/455614767.db2.gz NIWBBSVKHNLECC-IFXJQAMLSA-N 2 2 337.423 3.086 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193363 455614769 /nfs/dbraw/zinc/61/47/69/455614769.db2.gz NIWBBSVKHNLECC-IFXJQAMLSA-N 2 2 337.423 3.086 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247542389 455620725 /nfs/dbraw/zinc/62/07/25/455620725.db2.gz DDRONCVTJQUADX-ZACQAIPSSA-N 2 2 347.507 3.014 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000271410408 455626504 /nfs/dbraw/zinc/62/65/04/455626504.db2.gz XOSLOAPKTBRATK-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000271410408 455626507 /nfs/dbraw/zinc/62/65/07/455626507.db2.gz XOSLOAPKTBRATK-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000271410408 455626512 /nfs/dbraw/zinc/62/65/12/455626512.db2.gz XOSLOAPKTBRATK-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000271410408 455626515 /nfs/dbraw/zinc/62/65/15/455626515.db2.gz XOSLOAPKTBRATK-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc(Cl)c1O ZINC000284298686 455665037 /nfs/dbraw/zinc/66/50/37/455665037.db2.gz UVFLRVZYBYHHDC-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc(Cl)c1O ZINC000284298686 455665040 /nfs/dbraw/zinc/66/50/40/455665040.db2.gz UVFLRVZYBYHHDC-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc(Cl)c1O ZINC000284298686 455665045 /nfs/dbraw/zinc/66/50/45/455665045.db2.gz UVFLRVZYBYHHDC-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc(Cl)c1O ZINC000284298686 455665049 /nfs/dbraw/zinc/66/50/49/455665049.db2.gz UVFLRVZYBYHHDC-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000284350081 455673158 /nfs/dbraw/zinc/67/31/58/455673158.db2.gz MFHRXDBJJYOWOQ-UHFFFAOYSA-N 2 2 335.455 3.309 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000271546285 455680093 /nfs/dbraw/zinc/68/00/93/455680093.db2.gz UCAAYFLOHAWCDO-MJXNMMHHSA-N 2 2 338.442 3.383 20 0 EGADLP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)OC ZINC000192847025 455705788 /nfs/dbraw/zinc/70/57/88/455705788.db2.gz RBVDNOSZROGVHO-QGZVFWFLSA-N 2 2 338.879 3.093 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000271676418 455719975 /nfs/dbraw/zinc/71/99/75/455719975.db2.gz IWBXCIFAKOYDAP-YOEHRIQHSA-N 2 2 342.314 3.280 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000271676418 455719979 /nfs/dbraw/zinc/71/99/79/455719979.db2.gz IWBXCIFAKOYDAP-YOEHRIQHSA-N 2 2 342.314 3.280 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192951548 455724903 /nfs/dbraw/zinc/72/49/03/455724903.db2.gz LHMBIECEUQQZPV-AGUYFDCRSA-N 2 2 326.387 3.011 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192951548 455724908 /nfs/dbraw/zinc/72/49/08/455724908.db2.gz LHMBIECEUQQZPV-AGUYFDCRSA-N 2 2 326.387 3.011 20 0 EGADLP CCOc1ccc(C[N@H+](CCCOC)CCCn2cc[nH+]c2)cc1 ZINC000271715307 455730584 /nfs/dbraw/zinc/73/05/84/455730584.db2.gz QAZMQBFYBMAXHT-UHFFFAOYSA-N 2 2 331.460 3.211 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCOC)CCCn2cc[nH+]c2)cc1 ZINC000271715307 455730591 /nfs/dbraw/zinc/73/05/91/455730591.db2.gz QAZMQBFYBMAXHT-UHFFFAOYSA-N 2 2 331.460 3.211 20 0 EGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3sccc3Cl)cc2)CC1 ZINC000193014879 455735012 /nfs/dbraw/zinc/73/50/12/455735012.db2.gz NZGRTQULDWLOCT-UHFFFAOYSA-N 2 2 349.931 3.439 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799123 455760744 /nfs/dbraw/zinc/76/07/44/455760744.db2.gz BHQFPMNAHBOSOT-WBVHZDCISA-N 2 2 341.503 3.102 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799123 455760750 /nfs/dbraw/zinc/76/07/50/455760750.db2.gz BHQFPMNAHBOSOT-WBVHZDCISA-N 2 2 341.503 3.102 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C)no2)CC1 ZINC000271826328 455775448 /nfs/dbraw/zinc/77/54/48/455775448.db2.gz QYVBXCOMNNZDFI-HNNXBMFYSA-N 2 2 346.450 3.115 20 0 EGADLP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057414 455777998 /nfs/dbraw/zinc/77/79/98/455777998.db2.gz ZLRPTASUUTUSRG-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057414 455778005 /nfs/dbraw/zinc/77/80/05/455778005.db2.gz ZLRPTASUUTUSRG-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057414 455778010 /nfs/dbraw/zinc/77/80/10/455778010.db2.gz ZLRPTASUUTUSRG-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057414 455778016 /nfs/dbraw/zinc/77/80/16/455778016.db2.gz ZLRPTASUUTUSRG-OXJNMPFZSA-N 2 2 326.488 3.213 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000252216393 455803106 /nfs/dbraw/zinc/80/31/06/455803106.db2.gz XUDUTUXEBICZQZ-YRPNKDGESA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000252216393 455803109 /nfs/dbraw/zinc/80/31/09/455803109.db2.gz XUDUTUXEBICZQZ-YRPNKDGESA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000252216393 455803116 /nfs/dbraw/zinc/80/31/16/455803116.db2.gz XUDUTUXEBICZQZ-YRPNKDGESA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000252216393 455803119 /nfs/dbraw/zinc/80/31/19/455803119.db2.gz XUDUTUXEBICZQZ-YRPNKDGESA-N 2 2 349.563 3.077 20 0 EGADLP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000186605362 455803979 /nfs/dbraw/zinc/80/39/79/455803979.db2.gz RYYLSSKSBSOMKG-UHFFFAOYSA-N 2 2 339.483 3.063 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186643549 455811856 /nfs/dbraw/zinc/81/18/56/455811856.db2.gz BCDWZMPTAIMUNY-LJQANCHMSA-N 2 2 330.451 3.111 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673734 455827992 /nfs/dbraw/zinc/82/79/92/455827992.db2.gz LRICBRIGRCVAOB-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673734 455827996 /nfs/dbraw/zinc/82/79/96/455827996.db2.gz LRICBRIGRCVAOB-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272161147 455863491 /nfs/dbraw/zinc/86/34/91/455863491.db2.gz FSVQXXIFKQMEFU-GOEBONIOSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272161147 455863496 /nfs/dbraw/zinc/86/34/96/455863496.db2.gz FSVQXXIFKQMEFU-GOEBONIOSA-N 2 2 334.414 3.278 20 0 EGADLP c1ccc(OCCCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187164750 455876174 /nfs/dbraw/zinc/87/61/74/455876174.db2.gz QAPGLKHQYCRBGU-HXUWFJFHSA-N 2 2 346.515 3.280 20 0 EGADLP c1ccc(OCCCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187164750 455876178 /nfs/dbraw/zinc/87/61/78/455876178.db2.gz QAPGLKHQYCRBGU-HXUWFJFHSA-N 2 2 346.515 3.280 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272229043 455884474 /nfs/dbraw/zinc/88/44/74/455884474.db2.gz LUQJTBWXXHJHKC-KRWDZBQOSA-N 2 2 342.491 3.237 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272229043 455884480 /nfs/dbraw/zinc/88/44/80/455884480.db2.gz LUQJTBWXXHJHKC-KRWDZBQOSA-N 2 2 342.491 3.237 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000187391044 455904288 /nfs/dbraw/zinc/90/42/88/455904288.db2.gz XBSOCUFGTYRILH-UWJYYQICSA-N 2 2 348.494 3.226 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000187391044 455904292 /nfs/dbraw/zinc/90/42/92/455904292.db2.gz XBSOCUFGTYRILH-UWJYYQICSA-N 2 2 348.494 3.226 20 0 EGADLP C[NH+](CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F)Cc1ccco1 ZINC000285769342 455912114 /nfs/dbraw/zinc/91/21/14/455912114.db2.gz SRUQIQSXQNCUNL-GOSISDBHSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F)Cc1ccco1 ZINC000285769342 455912119 /nfs/dbraw/zinc/91/21/19/455912119.db2.gz SRUQIQSXQNCUNL-GOSISDBHSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)c1ccc(F)cc1F ZINC000285769342 455912125 /nfs/dbraw/zinc/91/21/25/455912125.db2.gz SRUQIQSXQNCUNL-GOSISDBHSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)c1ccc(F)cc1F ZINC000285769342 455912129 /nfs/dbraw/zinc/91/21/29/455912129.db2.gz SRUQIQSXQNCUNL-GOSISDBHSA-N 2 2 338.398 3.045 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261619807 455914730 /nfs/dbraw/zinc/91/47/30/455914730.db2.gz DELGFZGFCCGVCQ-LEWJYISDSA-N 2 2 332.451 3.107 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261619807 455914732 /nfs/dbraw/zinc/91/47/32/455914732.db2.gz DELGFZGFCCGVCQ-LEWJYISDSA-N 2 2 332.451 3.107 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626922 455916004 /nfs/dbraw/zinc/91/60/04/455916004.db2.gz CPEVYYLJYHHHDU-FXAWDEMLSA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626922 455916007 /nfs/dbraw/zinc/91/60/07/455916007.db2.gz CPEVYYLJYHHHDU-FXAWDEMLSA-N 2 2 349.494 3.090 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000261660480 455923494 /nfs/dbraw/zinc/92/34/94/455923494.db2.gz FPDGEXWJPSVDFM-WMZOPIPTSA-N 2 2 338.879 3.069 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000261660480 455923496 /nfs/dbraw/zinc/92/34/96/455923496.db2.gz FPDGEXWJPSVDFM-WMZOPIPTSA-N 2 2 338.879 3.069 20 0 EGADLP Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)n2C ZINC000187581401 455927411 /nfs/dbraw/zinc/92/74/11/455927411.db2.gz HQPGAERSYJEJHX-UHFFFAOYSA-N 2 2 331.423 3.357 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000195220447 455934205 /nfs/dbraw/zinc/93/42/05/455934205.db2.gz WEVRXYSRIMLMIE-LJQANCHMSA-N 2 2 348.491 3.120 20 0 EGADLP Fc1ccc(Cn2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cn2)cc1 ZINC000261758853 455941998 /nfs/dbraw/zinc/94/19/98/455941998.db2.gz CTADSEPHFZOURS-UHFFFAOYSA-N 2 2 342.462 3.035 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261755567 455942350 /nfs/dbraw/zinc/94/23/50/455942350.db2.gz UJXLIGSLBUZYIS-MLGOLLRUSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ncccc12 ZINC000261755567 455942358 /nfs/dbraw/zinc/94/23/58/455942358.db2.gz UJXLIGSLBUZYIS-MLGOLLRUSA-N 2 2 346.272 3.181 20 0 EGADLP C[C@H](c1nc(C2([NH3+])CCC2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000261804144 455950779 /nfs/dbraw/zinc/95/07/79/455950779.db2.gz PHTOBCXJBVGBBK-OAHLLOKOSA-N 2 2 340.471 3.423 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OC(F)F ZINC000261850288 455959242 /nfs/dbraw/zinc/95/92/42/455959242.db2.gz ZSWKUMHLBDGDOX-TZMCWYRMSA-N 2 2 328.403 3.388 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OC(F)F ZINC000261850288 455959248 /nfs/dbraw/zinc/95/92/48/455959248.db2.gz ZSWKUMHLBDGDOX-TZMCWYRMSA-N 2 2 328.403 3.388 20 0 EGADLP Cc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272517175 455978942 /nfs/dbraw/zinc/97/89/42/455978942.db2.gz HFYNKYCKKMZIDX-INIZCTEOSA-N 2 2 330.394 3.035 20 0 EGADLP C[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H]1C[NH3+] ZINC000261974184 455979491 /nfs/dbraw/zinc/97/94/91/455979491.db2.gz QMLSQLUBQUSFEI-FZMZJTMJSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H]1C[NH3+] ZINC000261974184 455979495 /nfs/dbraw/zinc/97/94/95/455979495.db2.gz QMLSQLUBQUSFEI-FZMZJTMJSA-N 2 2 344.286 3.381 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272560925 455994345 /nfs/dbraw/zinc/99/43/45/455994345.db2.gz UHWKQMSDNDBIHO-DOTOQJQBSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272560925 455994355 /nfs/dbraw/zinc/99/43/55/455994355.db2.gz UHWKQMSDNDBIHO-DOTOQJQBSA-N 2 2 342.439 3.066 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000270686896 456015550 /nfs/dbraw/zinc/01/55/50/456015550.db2.gz WLEKMTVQLZLIMF-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc(Br)ccc1F ZINC000270686896 456015558 /nfs/dbraw/zinc/01/55/58/456015558.db2.gz WLEKMTVQLZLIMF-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668544 456033581 /nfs/dbraw/zinc/03/35/81/456033581.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668544 456033585 /nfs/dbraw/zinc/03/35/85/456033585.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668544 456033587 /nfs/dbraw/zinc/03/35/87/456033587.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668544 456033590 /nfs/dbraw/zinc/03/35/90/456033590.db2.gz OVGFCDFZZOJCOS-OYNPSCLESA-N 3 2 327.516 3.113 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)c1 ZINC000225577430 456094522 /nfs/dbraw/zinc/09/45/22/456094522.db2.gz JXYYREAJIPIHSG-UHFFFAOYSA-N 2 2 336.483 3.110 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301519146 456136790 /nfs/dbraw/zinc/13/67/90/456136790.db2.gz HFBZCYPFKOJZLD-HOCLYGCPSA-N 2 2 336.443 3.100 20 0 EGADLP C[N@H+](CCNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccc(F)cc1 ZINC000301570836 456149036 /nfs/dbraw/zinc/14/90/36/456149036.db2.gz WWISSDMFRWEWBB-UHFFFAOYSA-N 2 2 343.450 3.150 20 0 EGADLP C[N@@H+](CCNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccc(F)cc1 ZINC000301570836 456149042 /nfs/dbraw/zinc/14/90/42/456149042.db2.gz WWISSDMFRWEWBB-UHFFFAOYSA-N 2 2 343.450 3.150 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)o2)cc1 ZINC000236623176 456159791 /nfs/dbraw/zinc/15/97/91/456159791.db2.gz UAUJGUJFSSPAIL-IBGZPJMESA-N 2 2 342.483 3.437 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)n1-c1ccccc1 ZINC000189009126 456198555 /nfs/dbraw/zinc/19/85/55/456198555.db2.gz YDLASLQGNYQYGO-LJQANCHMSA-N 2 2 335.451 3.182 20 0 EGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000236923734 456203151 /nfs/dbraw/zinc/20/31/51/456203151.db2.gz MWVOPICDLPFNKB-SCLBCKFNSA-N 2 2 326.444 3.198 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000301762948 456208641 /nfs/dbraw/zinc/20/86/41/456208641.db2.gz MPVRZCUYGZAXFJ-CQSZACIVSA-N 2 2 345.878 3.079 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000281446082 456236763 /nfs/dbraw/zinc/23/67/63/456236763.db2.gz SLKXEUKOLRZWIL-OXJNMPFZSA-N 2 2 326.488 3.383 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000281446082 456236766 /nfs/dbraw/zinc/23/67/66/456236766.db2.gz SLKXEUKOLRZWIL-OXJNMPFZSA-N 2 2 326.488 3.383 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787175 456263109 /nfs/dbraw/zinc/26/31/09/456263109.db2.gz FOACYHHOBDXKIJ-WORKWWGUSA-N 3 2 331.548 3.040 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000290190053 456263539 /nfs/dbraw/zinc/26/35/39/456263539.db2.gz CBARBGBVZGCTGG-UHFFFAOYSA-N 2 2 339.361 3.405 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044432 456275062 /nfs/dbraw/zinc/27/50/62/456275062.db2.gz MMYYHLOOQFHFLG-SJLPKXTDSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044432 456275067 /nfs/dbraw/zinc/27/50/67/456275067.db2.gz MMYYHLOOQFHFLG-SJLPKXTDSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044432 456275069 /nfs/dbraw/zinc/27/50/69/456275069.db2.gz MMYYHLOOQFHFLG-SJLPKXTDSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044432 456275071 /nfs/dbraw/zinc/27/50/71/456275071.db2.gz MMYYHLOOQFHFLG-SJLPKXTDSA-N 2 2 343.519 3.389 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000352761069 456282848 /nfs/dbraw/zinc/28/28/48/456282848.db2.gz UAFXXZSLMITXFM-CRAIPNDOSA-N 2 2 345.512 3.462 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178937 456295037 /nfs/dbraw/zinc/29/50/37/456295037.db2.gz SRSQAOYYPUFDDK-GBESFXJTSA-N 2 2 327.472 3.307 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178937 456295041 /nfs/dbraw/zinc/29/50/41/456295041.db2.gz SRSQAOYYPUFDDK-GBESFXJTSA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178937 456295045 /nfs/dbraw/zinc/29/50/45/456295045.db2.gz SRSQAOYYPUFDDK-GBESFXJTSA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccco1 ZINC000340178937 456295050 /nfs/dbraw/zinc/29/50/50/456295050.db2.gz SRSQAOYYPUFDDK-GBESFXJTSA-N 2 2 327.472 3.307 20 0 EGADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721938 456296391 /nfs/dbraw/zinc/29/63/91/456296391.db2.gz SPJGRQYOCARKLF-ZFWWWQNUSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721938 456296393 /nfs/dbraw/zinc/29/63/93/456296393.db2.gz SPJGRQYOCARKLF-ZFWWWQNUSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721938 456296397 /nfs/dbraw/zinc/29/63/97/456296397.db2.gz SPJGRQYOCARKLF-ZFWWWQNUSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721938 456296401 /nfs/dbraw/zinc/29/64/01/456296401.db2.gz SPJGRQYOCARKLF-ZFWWWQNUSA-N 2 2 338.517 3.198 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190869 456302001 /nfs/dbraw/zinc/30/20/01/456302001.db2.gz IVLSKAJOSAJTHK-SFTDATJTSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000340190869 456302009 /nfs/dbraw/zinc/30/20/09/456302009.db2.gz IVLSKAJOSAJTHK-SFTDATJTSA-N 3 2 327.516 3.286 20 0 EGADLP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352787515 456308902 /nfs/dbraw/zinc/30/89/02/456308902.db2.gz FWLCCFIVYHEBDK-IBGZPJMESA-N 2 2 348.450 3.333 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352818289 456334730 /nfs/dbraw/zinc/33/47/30/456334730.db2.gz UGSPZLGKLXFORO-OAQYLSRUSA-N 3 2 329.532 3.316 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352818289 456334734 /nfs/dbraw/zinc/33/47/34/456334734.db2.gz UGSPZLGKLXFORO-OAQYLSRUSA-N 3 2 329.532 3.316 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352818289 456334735 /nfs/dbraw/zinc/33/47/35/456334735.db2.gz UGSPZLGKLXFORO-OAQYLSRUSA-N 3 2 329.532 3.316 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352818289 456334737 /nfs/dbraw/zinc/33/47/37/456334737.db2.gz UGSPZLGKLXFORO-OAQYLSRUSA-N 3 2 329.532 3.316 20 0 EGADLP Clc1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)o1 ZINC000342953989 456335857 /nfs/dbraw/zinc/33/58/57/456335857.db2.gz XKAUVINHSZBMOF-UHFFFAOYSA-N 2 2 326.868 3.305 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501756 456345688 /nfs/dbraw/zinc/34/56/88/456345688.db2.gz PFNKTTUYAKAGHE-KBXCAEBGSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501756 456345691 /nfs/dbraw/zinc/34/56/91/456345691.db2.gz PFNKTTUYAKAGHE-KBXCAEBGSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501756 456345694 /nfs/dbraw/zinc/34/56/94/456345694.db2.gz PFNKTTUYAKAGHE-KBXCAEBGSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501756 456345698 /nfs/dbraw/zinc/34/56/98/456345698.db2.gz PFNKTTUYAKAGHE-KBXCAEBGSA-N 2 2 332.879 3.298 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340275520 456356469 /nfs/dbraw/zinc/35/64/69/456356469.db2.gz SVPVMRBKYHSUIA-OXJNMPFZSA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340275520 456356472 /nfs/dbraw/zinc/35/64/72/456356472.db2.gz SVPVMRBKYHSUIA-OXJNMPFZSA-N 2 2 326.488 3.125 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340298834 456370462 /nfs/dbraw/zinc/37/04/62/456370462.db2.gz QSIOUINACMNJRB-UFYCRDLUSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340298834 456370463 /nfs/dbraw/zinc/37/04/63/456370463.db2.gz QSIOUINACMNJRB-UFYCRDLUSA-N 2 2 328.431 3.284 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCOCC3)Cc2ccccc2C1 ZINC000282077041 456407606 /nfs/dbraw/zinc/40/76/06/456407606.db2.gz HKEJFFCDFSGXKE-IBGZPJMESA-N 2 2 328.500 3.025 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)s1 ZINC000347872499 456418116 /nfs/dbraw/zinc/41/81/16/456418116.db2.gz SNSBWFXHTLEWQI-UHFFFAOYSA-N 2 2 349.475 3.387 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000340469410 456477725 /nfs/dbraw/zinc/47/77/25/456477725.db2.gz JFROTOFWEJTXJB-HXUWFJFHSA-N 2 2 344.478 3.301 20 0 EGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340504943 456498012 /nfs/dbraw/zinc/49/80/12/456498012.db2.gz JNISMWSWRCGYRN-YOEHRIQHSA-N 2 2 344.421 3.116 20 0 EGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340504943 456498016 /nfs/dbraw/zinc/49/80/16/456498016.db2.gz JNISMWSWRCGYRN-YOEHRIQHSA-N 2 2 344.421 3.116 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000340520356 456507604 /nfs/dbraw/zinc/50/76/04/456507604.db2.gz VBBOAOTVAZSFGQ-XUVXKRRUSA-N 2 2 340.511 3.371 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000340520356 456507608 /nfs/dbraw/zinc/50/76/08/456507608.db2.gz VBBOAOTVAZSFGQ-XUVXKRRUSA-N 2 2 340.511 3.371 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000276553011 456513820 /nfs/dbraw/zinc/51/38/20/456513820.db2.gz HYNPWEDQZWNRJE-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454521 456520230 /nfs/dbraw/zinc/52/02/30/456520230.db2.gz OBEUHJIRTKQTNO-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454521 456520234 /nfs/dbraw/zinc/52/02/34/456520234.db2.gz OBEUHJIRTKQTNO-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP Cn1cnc2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)ccc21 ZINC000348183804 456520918 /nfs/dbraw/zinc/52/09/18/456520918.db2.gz DNLRBOXEQCTKHO-UHFFFAOYSA-N 2 2 331.423 3.108 20 0 EGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348191489 456527474 /nfs/dbraw/zinc/52/74/74/456527474.db2.gz HBAFWWGYQGDQBI-QGZVFWFLSA-N 2 2 346.496 3.083 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21)C[NH+]1CCCC1 ZINC000340585122 456547972 /nfs/dbraw/zinc/54/79/72/456547972.db2.gz WDSYKJSJAJBWFW-DZGCQCFKSA-N 2 2 329.271 3.027 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000291225741 456571773 /nfs/dbraw/zinc/57/17/73/456571773.db2.gz JUPVFEQPZBAWGV-KRWDZBQOSA-N 2 2 340.458 3.094 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000291225741 456571777 /nfs/dbraw/zinc/57/17/77/456571777.db2.gz JUPVFEQPZBAWGV-KRWDZBQOSA-N 2 2 340.458 3.094 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291225741 456571779 /nfs/dbraw/zinc/57/17/79/456571779.db2.gz JUPVFEQPZBAWGV-KRWDZBQOSA-N 2 2 340.458 3.094 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291225741 456571781 /nfs/dbraw/zinc/57/17/81/456571781.db2.gz JUPVFEQPZBAWGV-KRWDZBQOSA-N 2 2 340.458 3.094 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000299044188 456591741 /nfs/dbraw/zinc/59/17/41/456591741.db2.gz OGMREPQVQSUYDN-UHFFFAOYSA-N 2 2 341.242 3.069 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000299044188 456591749 /nfs/dbraw/zinc/59/17/49/456591749.db2.gz OGMREPQVQSUYDN-UHFFFAOYSA-N 2 2 341.242 3.069 20 0 EGADLP CCC[C@@H]1CN(CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000343404577 456597981 /nfs/dbraw/zinc/59/79/81/456597981.db2.gz QASYABUFMKNHSS-HXUWFJFHSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[C@@H]1CN(CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000343404577 456597986 /nfs/dbraw/zinc/59/79/86/456597986.db2.gz QASYABUFMKNHSS-HXUWFJFHSA-N 2 2 326.488 3.260 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)c1 ZINC000353281948 456607727 /nfs/dbraw/zinc/60/77/27/456607727.db2.gz DWVUBIIYUXZIJT-UHFFFAOYSA-N 2 2 335.810 3.205 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(Cl)c1OC ZINC000315799413 456610687 /nfs/dbraw/zinc/61/06/87/456610687.db2.gz IIXFNDKKWLKOHJ-CYBMUJFWSA-N 2 2 326.868 3.177 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(Cl)c1OC ZINC000315799413 456610691 /nfs/dbraw/zinc/61/06/91/456610691.db2.gz IIXFNDKKWLKOHJ-CYBMUJFWSA-N 2 2 326.868 3.177 20 0 EGADLP CCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)O[C@H](C)C2 ZINC000322834556 456651461 /nfs/dbraw/zinc/65/14/61/456651461.db2.gz HRDCSPXAQBJKTQ-TZUVLKIQSA-N 2 2 330.472 3.124 20 0 EGADLP CCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O[C@H](C)C2 ZINC000322834556 456651471 /nfs/dbraw/zinc/65/14/71/456651471.db2.gz HRDCSPXAQBJKTQ-TZUVLKIQSA-N 2 2 330.472 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171235 456708088 /nfs/dbraw/zinc/70/80/88/456708088.db2.gz KSSWGCPRCMBBFQ-WOJBJXKFSA-N 2 2 343.515 3.156 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171235 456708097 /nfs/dbraw/zinc/70/80/97/456708097.db2.gz KSSWGCPRCMBBFQ-WOJBJXKFSA-N 2 2 343.515 3.156 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490433 456710892 /nfs/dbraw/zinc/71/08/92/456710892.db2.gz QQECYHOEHPRFEO-CRAIPNDOSA-N 2 2 332.467 3.359 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490433 456710903 /nfs/dbraw/zinc/71/09/03/456710903.db2.gz QQECYHOEHPRFEO-CRAIPNDOSA-N 2 2 332.467 3.359 20 0 EGADLP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cnn1C ZINC000353546031 456749213 /nfs/dbraw/zinc/74/92/13/456749213.db2.gz UEKVVTSVXZMRRM-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cnn1C ZINC000353546031 456749218 /nfs/dbraw/zinc/74/92/18/456749218.db2.gz UEKVVTSVXZMRRM-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cnn1C ZINC000353546031 456749222 /nfs/dbraw/zinc/74/92/22/456749222.db2.gz UEKVVTSVXZMRRM-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cnn1C ZINC000353546031 456749226 /nfs/dbraw/zinc/74/92/26/456749226.db2.gz UEKVVTSVXZMRRM-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000338323479 456771835 /nfs/dbraw/zinc/77/18/35/456771835.db2.gz ZUPZHLTXNVSDLT-LJQANCHMSA-N 2 2 331.504 3.003 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000338323479 456771843 /nfs/dbraw/zinc/77/18/43/456771843.db2.gz ZUPZHLTXNVSDLT-LJQANCHMSA-N 2 2 331.504 3.003 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277378665 456801315 /nfs/dbraw/zinc/80/13/15/456801315.db2.gz YBVDHFZRNLMWFU-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277378665 456801319 /nfs/dbraw/zinc/80/13/19/456801319.db2.gz YBVDHFZRNLMWFU-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000344160455 456803045 /nfs/dbraw/zinc/80/30/45/456803045.db2.gz DVXYJNZFCTWFLE-MJSCVDMRSA-N 2 2 329.488 3.043 20 0 EGADLP Cc1nc(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)sc1C ZINC000353619614 456807766 /nfs/dbraw/zinc/80/77/66/456807766.db2.gz CYLNOEILUSMCOI-UHFFFAOYSA-N 2 2 330.501 3.218 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1C ZINC000341085425 456815660 /nfs/dbraw/zinc/81/56/60/456815660.db2.gz BBZHCSLSQGOVTG-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1C ZINC000341085425 456815663 /nfs/dbraw/zinc/81/56/63/456815663.db2.gz BBZHCSLSQGOVTG-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)n1C ZINC000341085425 456815666 /nfs/dbraw/zinc/81/56/66/456815666.db2.gz BBZHCSLSQGOVTG-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1C ZINC000341085425 456815672 /nfs/dbraw/zinc/81/56/72/456815672.db2.gz BBZHCSLSQGOVTG-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000353658047 456836453 /nfs/dbraw/zinc/83/64/53/456836453.db2.gz PCTGVIYETCLHRN-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000353658047 456836457 /nfs/dbraw/zinc/83/64/57/456836457.db2.gz PCTGVIYETCLHRN-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cn1cc([C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C(C)(C)C)cn1 ZINC000341315079 456842701 /nfs/dbraw/zinc/84/27/01/456842701.db2.gz QKXNEIBVDONRNC-IBGZPJMESA-N 2 2 341.503 3.157 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000341365349 456856848 /nfs/dbraw/zinc/85/68/48/456856848.db2.gz JGQPXNCWNMYJDU-UHFFFAOYSA-N 2 2 326.488 3.181 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)C[C@H]1C ZINC000344887504 456869832 /nfs/dbraw/zinc/86/98/32/456869832.db2.gz SGBFQTAUFLKLCU-YKORFQDJSA-N 2 2 344.503 3.029 20 0 EGADLP COc1cc(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)ccc1F ZINC000338950617 456871379 /nfs/dbraw/zinc/87/13/79/456871379.db2.gz ZOKIFMDJBITWNF-UHFFFAOYSA-N 2 2 343.446 3.293 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834529 456876550 /nfs/dbraw/zinc/87/65/50/456876550.db2.gz QSSFJVIBPQGHGP-XLIONFOSSA-N 2 2 347.466 3.259 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834529 456876555 /nfs/dbraw/zinc/87/65/55/456876555.db2.gz QSSFJVIBPQGHGP-XLIONFOSSA-N 2 2 347.466 3.259 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC(C)C ZINC000349188159 456907638 /nfs/dbraw/zinc/90/76/38/456907638.db2.gz LBMMYHDBWCAHMA-KRWDZBQOSA-N 2 2 343.471 3.453 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC(C)C ZINC000349188159 456907642 /nfs/dbraw/zinc/90/76/42/456907642.db2.gz LBMMYHDBWCAHMA-KRWDZBQOSA-N 2 2 343.471 3.453 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000345064373 456913905 /nfs/dbraw/zinc/91/39/05/456913905.db2.gz DEVMSPLMPJXLOU-SIIHOXLZSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000345064373 456913910 /nfs/dbraw/zinc/91/39/10/456913910.db2.gz DEVMSPLMPJXLOU-SIIHOXLZSA-N 2 2 340.870 3.488 20 0 EGADLP C[C@@H](CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1)[NH+](C)C ZINC000341749365 456926837 /nfs/dbraw/zinc/92/68/37/456926837.db2.gz PEHOTAOZYLJZON-HNNXBMFYSA-N 2 2 342.487 3.150 20 0 EGADLP COCCC[N@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349316088 456939148 /nfs/dbraw/zinc/93/91/48/456939148.db2.gz MSEMLLNVXVMWHZ-UHFFFAOYSA-N 2 2 336.439 3.306 20 0 EGADLP COCCC[N@@H+](Cc1ccncc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349316088 456939152 /nfs/dbraw/zinc/93/91/52/456939152.db2.gz MSEMLLNVXVMWHZ-UHFFFAOYSA-N 2 2 336.439 3.306 20 0 EGADLP FC(F)(F)c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)[nH]n1 ZINC000349361461 456952574 /nfs/dbraw/zinc/95/25/74/456952574.db2.gz BHVXBVUIXZNLEE-UHFFFAOYSA-N 2 2 341.381 3.317 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345193599 456962185 /nfs/dbraw/zinc/96/21/85/456962185.db2.gz WRQXIBRKJPUZBE-CYBMUJFWSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000345193599 456962188 /nfs/dbraw/zinc/96/21/88/456962188.db2.gz WRQXIBRKJPUZBE-CYBMUJFWSA-N 2 2 344.286 3.396 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[NH2+]CCCc3ccc(C)[nH+]c3)cn2)n1 ZINC000353946884 456976089 /nfs/dbraw/zinc/97/60/89/456976089.db2.gz WRVWJQQSHHEMKH-UHFFFAOYSA-N 2 2 335.455 3.310 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000345607027 456984562 /nfs/dbraw/zinc/98/45/62/456984562.db2.gz UHVFDUKEPRETRO-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000345607027 456984566 /nfs/dbraw/zinc/98/45/66/456984566.db2.gz UHVFDUKEPRETRO-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036546 457025039 /nfs/dbraw/zinc/02/50/39/457025039.db2.gz ABRFFETXQREGSG-RTBURBONSA-N 2 2 343.515 3.458 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036546 457025043 /nfs/dbraw/zinc/02/50/43/457025043.db2.gz ABRFFETXQREGSG-RTBURBONSA-N 2 2 343.515 3.458 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038908 457025222 /nfs/dbraw/zinc/02/52/22/457025222.db2.gz OILYJRLOABHVJT-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038908 457025227 /nfs/dbraw/zinc/02/52/27/457025227.db2.gz OILYJRLOABHVJT-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000354077910 457047126 /nfs/dbraw/zinc/04/71/26/457047126.db2.gz KFTLMFNEVOEGOP-AWEZNQCLSA-N 2 2 330.394 3.037 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000354077910 457047132 /nfs/dbraw/zinc/04/71/32/457047132.db2.gz KFTLMFNEVOEGOP-AWEZNQCLSA-N 2 2 330.394 3.037 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)[C@@H](C)C1 ZINC000346595790 457068039 /nfs/dbraw/zinc/06/80/39/457068039.db2.gz DFYKUQVXVYKDNS-STQMWFEESA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)[C@@H](C)C1 ZINC000346595790 457068044 /nfs/dbraw/zinc/06/80/44/457068044.db2.gz DFYKUQVXVYKDNS-STQMWFEESA-N 2 2 331.913 3.023 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000359403767 457080243 /nfs/dbraw/zinc/08/02/43/457080243.db2.gz HQTWJYWXKIVPIS-XJKSGUPXSA-N 2 2 328.859 3.488 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168545 457105673 /nfs/dbraw/zinc/10/56/73/457105673.db2.gz YPWGLAUZGNLGBL-MRXNPFEDSA-N 2 2 328.378 3.329 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168545 457105681 /nfs/dbraw/zinc/10/56/81/457105681.db2.gz YPWGLAUZGNLGBL-MRXNPFEDSA-N 2 2 328.378 3.329 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168545 457105687 /nfs/dbraw/zinc/10/56/87/457105687.db2.gz YPWGLAUZGNLGBL-MRXNPFEDSA-N 2 2 328.378 3.329 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)C1 ZINC000354168545 457105693 /nfs/dbraw/zinc/10/56/93/457105693.db2.gz YPWGLAUZGNLGBL-MRXNPFEDSA-N 2 2 328.378 3.329 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000356666721 457110476 /nfs/dbraw/zinc/11/04/76/457110476.db2.gz APJMAKZDHWJIAG-FXAWDEMLSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000356666721 457110484 /nfs/dbraw/zinc/11/04/84/457110484.db2.gz APJMAKZDHWJIAG-FXAWDEMLSA-N 2 2 327.472 3.442 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434964 457116199 /nfs/dbraw/zinc/11/61/99/457116199.db2.gz YXQFPUQPNHDECW-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434964 457116206 /nfs/dbraw/zinc/11/62/06/457116206.db2.gz YXQFPUQPNHDECW-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339434964 457116214 /nfs/dbraw/zinc/11/62/14/457116214.db2.gz YXQFPUQPNHDECW-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339434964 457116218 /nfs/dbraw/zinc/11/62/18/457116218.db2.gz YXQFPUQPNHDECW-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1)c1ccc(Cl)cc1Cl ZINC000342115464 457116624 /nfs/dbraw/zinc/11/66/24/457116624.db2.gz XRBQRPXYXZBLPO-QWRGUYRKSA-N 2 2 344.286 3.030 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433769 457116722 /nfs/dbraw/zinc/11/67/22/457116722.db2.gz DLGALOLSWJZGAF-GXTWGEPZSA-N 2 2 338.879 3.115 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433769 457116726 /nfs/dbraw/zinc/11/67/26/457116726.db2.gz DLGALOLSWJZGAF-GXTWGEPZSA-N 2 2 338.879 3.115 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851250 457123898 /nfs/dbraw/zinc/12/38/98/457123898.db2.gz MJKGRKSWMOTHAL-IRXDYDNUSA-N 2 2 348.535 3.133 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C2)CC1 ZINC000362851250 457123901 /nfs/dbraw/zinc/12/39/01/457123901.db2.gz MJKGRKSWMOTHAL-IRXDYDNUSA-N 2 2 348.535 3.133 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362859660 457129423 /nfs/dbraw/zinc/12/94/23/457129423.db2.gz NROAKYJPEXGYHN-HNNXBMFYSA-N 2 2 326.444 3.351 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362859660 457129426 /nfs/dbraw/zinc/12/94/26/457129426.db2.gz NROAKYJPEXGYHN-HNNXBMFYSA-N 2 2 326.444 3.351 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000359963926 457174700 /nfs/dbraw/zinc/17/47/00/457174700.db2.gz OXZLHJLPUYCAAG-FQEVSTJZSA-N 2 2 339.483 3.263 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)n1 ZINC000359963926 457174707 /nfs/dbraw/zinc/17/47/07/457174707.db2.gz OXZLHJLPUYCAAG-FQEVSTJZSA-N 2 2 339.483 3.263 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000342303942 457225254 /nfs/dbraw/zinc/22/52/54/457225254.db2.gz FMTRRBBUGMNSBJ-VQIMIIECSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000342303942 457225261 /nfs/dbraw/zinc/22/52/61/457225261.db2.gz FMTRRBBUGMNSBJ-VQIMIIECSA-N 2 2 334.467 3.326 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339707112 457226306 /nfs/dbraw/zinc/22/63/06/457226306.db2.gz MLEJPIRSRHMGGR-FQEVSTJZSA-N 2 2 327.472 3.411 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339707112 457226311 /nfs/dbraw/zinc/22/63/11/457226311.db2.gz MLEJPIRSRHMGGR-FQEVSTJZSA-N 2 2 327.472 3.411 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1OCC ZINC000347109763 457234160 /nfs/dbraw/zinc/23/41/60/457234160.db2.gz PKGGDERVEGMUFN-UHFFFAOYSA-N 2 2 332.488 3.448 20 0 EGADLP CCC[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000347142670 457253805 /nfs/dbraw/zinc/25/38/05/457253805.db2.gz XCCUOTDGIWKBCZ-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000347142670 457253812 /nfs/dbraw/zinc/25/38/12/457253812.db2.gz XCCUOTDGIWKBCZ-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CC[N@H+](CC(=O)Nc1cc[nH+]c(N(C)C)c1)Cc1ccccc1Cl ZINC000354489752 457254397 /nfs/dbraw/zinc/25/43/97/457254397.db2.gz KDANVLJROUXLIJ-UHFFFAOYSA-N 2 2 346.862 3.262 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cc[nH+]c(N(C)C)c1)Cc1ccccc1Cl ZINC000354489752 457254404 /nfs/dbraw/zinc/25/44/04/457254404.db2.gz KDANVLJROUXLIJ-UHFFFAOYSA-N 2 2 346.862 3.262 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000357026962 457284375 /nfs/dbraw/zinc/28/43/75/457284375.db2.gz NUKPNBDRBKZKOC-RCCFBDPRSA-N 2 2 330.451 3.111 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209778 457328316 /nfs/dbraw/zinc/32/83/16/457328316.db2.gz RYOLJQCXLTWWRO-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209778 457328321 /nfs/dbraw/zinc/32/83/21/457328321.db2.gz RYOLJQCXLTWWRO-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116053 457338534 /nfs/dbraw/zinc/33/85/34/457338534.db2.gz RLBSDLZRFFOZGJ-QGZVFWFLSA-N 2 2 340.870 3.146 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116053 457338541 /nfs/dbraw/zinc/33/85/41/457338541.db2.gz RLBSDLZRFFOZGJ-QGZVFWFLSA-N 2 2 340.870 3.146 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116053 457338548 /nfs/dbraw/zinc/33/85/48/457338548.db2.gz RLBSDLZRFFOZGJ-QGZVFWFLSA-N 2 2 340.870 3.146 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000352116053 457338552 /nfs/dbraw/zinc/33/85/52/457338552.db2.gz RLBSDLZRFFOZGJ-QGZVFWFLSA-N 2 2 340.870 3.146 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc3cc(Cl)ccc3n1C)CCC2 ZINC000369774384 457393015 /nfs/dbraw/zinc/39/30/15/457393015.db2.gz TXEDQCGZDBOPNA-ZDUSSCGKSA-N 2 2 343.862 3.399 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000357238027 457393100 /nfs/dbraw/zinc/39/31/00/457393100.db2.gz PCENHVGGAITXQL-AWEZNQCLSA-N 2 2 341.484 3.326 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000352489106 457409740 /nfs/dbraw/zinc/40/97/40/457409740.db2.gz XVPSUHGRGFSVEF-INIZCTEOSA-N 2 2 331.485 3.425 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000352489106 457409746 /nfs/dbraw/zinc/40/97/46/457409746.db2.gz XVPSUHGRGFSVEF-INIZCTEOSA-N 2 2 331.485 3.425 20 0 EGADLP CCc1nc(N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc(C)[nH+]1 ZINC000342634324 457418740 /nfs/dbraw/zinc/41/87/40/457418740.db2.gz JNHIRDAEOAKCOG-UHFFFAOYSA-N 2 2 334.414 3.194 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374052369 457457930 /nfs/dbraw/zinc/45/79/30/457457930.db2.gz DEYZYOOCRDWMLO-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374052369 457457939 /nfs/dbraw/zinc/45/79/39/457457939.db2.gz DEYZYOOCRDWMLO-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP COc1ccc(C[NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)cn1 ZINC000398005897 457494892 /nfs/dbraw/zinc/49/48/92/457494892.db2.gz GUIOHQOEVSFPAJ-LJQANCHMSA-N 2 2 327.472 3.336 20 0 EGADLP COc1ccc(C[NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cn1 ZINC000398005897 457494900 /nfs/dbraw/zinc/49/49/00/457494900.db2.gz GUIOHQOEVSFPAJ-LJQANCHMSA-N 2 2 327.472 3.336 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356168482 457502256 /nfs/dbraw/zinc/50/22/56/457502256.db2.gz PVTVFNZVMAFSRN-UHFFFAOYSA-N 2 2 344.503 3.315 20 0 EGADLP CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c[nH+]c(N(C)C)n1C)CCC2 ZINC000425342746 457506116 /nfs/dbraw/zinc/50/61/16/457506116.db2.gz ZVFYNQYJYJJPSA-CQSZACIVSA-N 2 2 333.505 3.014 20 0 EGADLP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c[nH+]c(N(C)C)n1C)CCC2 ZINC000425342746 457506124 /nfs/dbraw/zinc/50/61/24/457506124.db2.gz ZVFYNQYJYJJPSA-CQSZACIVSA-N 2 2 333.505 3.014 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1Br ZINC000400340092 457511892 /nfs/dbraw/zinc/51/18/92/457511892.db2.gz HCDVFZLZCLTKFT-WDMOLILDSA-N 2 2 327.266 3.249 20 0 EGADLP CSC1(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)CCC1 ZINC000356182992 457512661 /nfs/dbraw/zinc/51/26/61/457512661.db2.gz KXPAHCBZUYFNLP-UHFFFAOYSA-N 2 2 347.572 3.382 20 0 EGADLP Cc1c[nH+]c(CN2CC[NH+](Cc3cccc4ccccc43)CC2)n1C ZINC000342781141 457522329 /nfs/dbraw/zinc/52/23/29/457522329.db2.gz NEYGNHIZKOQRGA-UHFFFAOYSA-N 2 2 334.467 3.200 20 0 EGADLP CCO[C@H](C)c1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361043158 457536345 /nfs/dbraw/zinc/53/63/45/457536345.db2.gz CNEATKPCFCEJDD-OAHLLOKOSA-N 2 2 347.463 3.056 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2ccccn12 ZINC000347600684 457539683 /nfs/dbraw/zinc/53/96/83/457539683.db2.gz VNUMGSPXQHRIIH-ZWKOTPCHSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2ccccn12 ZINC000347600684 457539690 /nfs/dbraw/zinc/53/96/90/457539690.db2.gz VNUMGSPXQHRIIH-ZWKOTPCHSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1CC[NH3+] ZINC000404391877 457542611 /nfs/dbraw/zinc/54/26/11/457542611.db2.gz YLJHGMGKEMHHQL-XHDPSFHLSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1CC[NH3+] ZINC000404391877 457542615 /nfs/dbraw/zinc/54/26/15/457542615.db2.gz YLJHGMGKEMHHQL-XHDPSFHLSA-N 2 2 344.286 3.381 20 0 EGADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NCC1CCCCC1 ZINC000361056047 457549388 /nfs/dbraw/zinc/54/93/88/457549388.db2.gz GYHLWHPHPHVRJJ-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP Cc1ccn2c(CN3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000342839095 457551882 /nfs/dbraw/zinc/55/18/82/457551882.db2.gz GURNAGATILYRRI-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1ccn2c(CN3CC[N@H+](C)[C@H](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000342839095 457551886 /nfs/dbraw/zinc/55/18/86/457551886.db2.gz GURNAGATILYRRI-LJQANCHMSA-N 2 2 334.467 3.001 20 0 EGADLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063620 457558413 /nfs/dbraw/zinc/55/84/13/457558413.db2.gz SZIZQYJDANKIAK-LJQANCHMSA-N 2 2 341.455 3.290 20 0 EGADLP CN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000361074635 457566104 /nfs/dbraw/zinc/56/61/04/457566104.db2.gz UVDUWLDDBYILDD-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000352736031 457568869 /nfs/dbraw/zinc/56/88/69/457568869.db2.gz JVWFFPXMGMQCIK-UHFFFAOYSA-N 3 2 338.565 3.339 20 0 EGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000356390770 457601443 /nfs/dbraw/zinc/60/14/43/457601443.db2.gz JGKIFCQVAXGOTQ-UHFFFAOYSA-N 2 2 328.378 3.471 20 0 EGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000356390770 457601447 /nfs/dbraw/zinc/60/14/47/457601447.db2.gz JGKIFCQVAXGOTQ-UHFFFAOYSA-N 2 2 328.378 3.471 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199166 457642375 /nfs/dbraw/zinc/64/23/75/457642375.db2.gz BWTYPMQAWOIYEG-QAPCUYQASA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199166 457642378 /nfs/dbraw/zinc/64/23/78/457642378.db2.gz BWTYPMQAWOIYEG-QAPCUYQASA-N 2 2 326.488 3.432 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425904218 457650539 /nfs/dbraw/zinc/65/05/39/457650539.db2.gz XKSJAMQRQSKXJS-IEBWSBKVSA-N 3 2 348.535 3.132 20 0 EGADLP Cc1cc(NCc2cn3cc(Br)cc(C)c3[nH+]2)cc[nH+]1 ZINC000357701688 457662200 /nfs/dbraw/zinc/66/22/00/457662200.db2.gz XJGVTSMGLRRGHU-UHFFFAOYSA-N 2 2 331.217 3.143 20 0 EGADLP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000361356049 457704867 /nfs/dbraw/zinc/70/48/67/457704867.db2.gz OXRWDDWBTUVIFU-YYIAUSFCSA-N 2 2 349.544 3.215 20 0 EGADLP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000361356049 457704869 /nfs/dbraw/zinc/70/48/69/457704869.db2.gz OXRWDDWBTUVIFU-YYIAUSFCSA-N 2 2 349.544 3.215 20 0 EGADLP CSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccn1 ZINC000357872649 457719729 /nfs/dbraw/zinc/71/97/29/457719729.db2.gz PLZPFNQPXRLSQP-YJBOKZPZSA-N 2 2 342.512 3.199 20 0 EGADLP CSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccn1 ZINC000357872649 457719732 /nfs/dbraw/zinc/71/97/32/457719732.db2.gz PLZPFNQPXRLSQP-YJBOKZPZSA-N 2 2 342.512 3.199 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793323 457719823 /nfs/dbraw/zinc/71/98/23/457719823.db2.gz KXPIXUMFQPQXKC-UHFFFAOYSA-N 2 2 337.423 3.231 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839008 457726624 /nfs/dbraw/zinc/72/66/24/457726624.db2.gz OQDRCUYGQFSUDK-PXNSSMCTSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839008 457726627 /nfs/dbraw/zinc/72/66/27/457726627.db2.gz OQDRCUYGQFSUDK-PXNSSMCTSA-N 2 2 349.563 3.220 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C1 ZINC000358024545 457743134 /nfs/dbraw/zinc/74/31/34/457743134.db2.gz QZHUMJVFBJGMJB-TUKIKUTGSA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C1 ZINC000358024545 457743136 /nfs/dbraw/zinc/74/31/36/457743136.db2.gz QZHUMJVFBJGMJB-TUKIKUTGSA-N 2 2 339.277 3.203 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1Cl ZINC000365342381 457745276 /nfs/dbraw/zinc/74/52/76/457745276.db2.gz FDTZKUDAPGVQJD-NWDGAFQWSA-N 2 2 333.234 3.085 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1Cl ZINC000365342381 457745281 /nfs/dbraw/zinc/74/52/81/457745281.db2.gz FDTZKUDAPGVQJD-NWDGAFQWSA-N 2 2 333.234 3.085 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000361493917 457753286 /nfs/dbraw/zinc/75/32/86/457753286.db2.gz VUJMKCQEBJLYPS-HNNXBMFYSA-N 2 2 335.407 3.494 20 0 EGADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)oc2c1 ZINC000426035937 457764076 /nfs/dbraw/zinc/76/40/76/457764076.db2.gz OGCCIDVVOSPJQH-SJLPKXTDSA-N 2 2 330.472 3.485 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361676187 457817174 /nfs/dbraw/zinc/81/71/74/457817174.db2.gz UBQDRSZKEYXZBF-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361676187 457817181 /nfs/dbraw/zinc/81/71/81/457817181.db2.gz UBQDRSZKEYXZBF-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361676187 457817191 /nfs/dbraw/zinc/81/71/91/457817191.db2.gz UBQDRSZKEYXZBF-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361676187 457817198 /nfs/dbraw/zinc/81/71/98/457817198.db2.gz UBQDRSZKEYXZBF-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000358155045 457820090 /nfs/dbraw/zinc/82/00/90/457820090.db2.gz OFKAKQBDWYJWME-KBPBESRZSA-N 2 2 341.293 3.211 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077884 457848465 /nfs/dbraw/zinc/84/84/65/457848465.db2.gz UNBLGHJSIWSSRY-VQIMIIECSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077884 457848469 /nfs/dbraw/zinc/84/84/69/457848469.db2.gz UNBLGHJSIWSSRY-VQIMIIECSA-N 2 2 332.451 3.374 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000361771124 457848484 /nfs/dbraw/zinc/84/84/84/457848484.db2.gz WDMUNUBTKRDOCM-AVGNSLFASA-N 2 2 326.868 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000361771124 457848490 /nfs/dbraw/zinc/84/84/90/457848490.db2.gz WDMUNUBTKRDOCM-AVGNSLFASA-N 2 2 326.868 3.491 20 0 EGADLP CN(Cc1c(F)cccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371303938 457856492 /nfs/dbraw/zinc/85/64/92/457856492.db2.gz GOPFVWVYAYCHFL-HNNXBMFYSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1c(F)cccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371303938 457856499 /nfs/dbraw/zinc/85/64/99/457856499.db2.gz GOPFVWVYAYCHFL-HNNXBMFYSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444169805 457862770 /nfs/dbraw/zinc/86/27/70/457862770.db2.gz SMWCUYPBTJSPAB-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444169805 457862776 /nfs/dbraw/zinc/86/27/76/457862776.db2.gz SMWCUYPBTJSPAB-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000444169805 457862783 /nfs/dbraw/zinc/86/27/83/457862783.db2.gz SMWCUYPBTJSPAB-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000444169805 457862790 /nfs/dbraw/zinc/86/27/90/457862790.db2.gz SMWCUYPBTJSPAB-RHSMWYFYSA-N 2 2 337.895 3.473 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252241 457888689 /nfs/dbraw/zinc/88/86/89/457888689.db2.gz LNPHERHEFGRVJK-CVEARBPZSA-N 2 2 331.287 3.491 20 0 EGADLP C[NH+](C)CC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000426888170 457923290 /nfs/dbraw/zinc/92/32/90/457923290.db2.gz DZKQCZKOFUPCOF-UHFFFAOYSA-N 2 2 340.471 3.001 20 0 EGADLP CC(C)(C[NH2+][C@H]1CCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000367079680 457927057 /nfs/dbraw/zinc/92/70/57/457927057.db2.gz HOBNCMURNSGTRK-IBGZPJMESA-N 2 2 328.500 3.372 20 0 EGADLP CC(C)(C[NH2+][C@H]1CCC12CCOCC2)[N@H+]1CCc2ccccc2C1 ZINC000367079680 457927060 /nfs/dbraw/zinc/92/70/60/457927060.db2.gz HOBNCMURNSGTRK-IBGZPJMESA-N 2 2 328.500 3.372 20 0 EGADLP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433998457 457929856 /nfs/dbraw/zinc/92/98/56/457929856.db2.gz GHCULOKAQHLULW-KPFFTGBYSA-N 2 2 327.472 3.499 20 0 EGADLP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358328397 457936043 /nfs/dbraw/zinc/93/60/43/457936043.db2.gz LNAFKSCCNDIECS-IBGZPJMESA-N 2 2 334.467 3.360 20 0 EGADLP c1[nH]c2ncccc2c1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358328397 457936050 /nfs/dbraw/zinc/93/60/50/457936050.db2.gz LNAFKSCCNDIECS-IBGZPJMESA-N 2 2 334.467 3.360 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328435 457936518 /nfs/dbraw/zinc/93/65/18/457936518.db2.gz LTVLCPZDJJFEQT-PZBISTMVSA-N 2 2 346.515 3.242 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328435 457936525 /nfs/dbraw/zinc/93/65/25/457936525.db2.gz LTVLCPZDJJFEQT-PZBISTMVSA-N 2 2 346.515 3.242 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343732 457946243 /nfs/dbraw/zinc/94/62/43/457946243.db2.gz UCPOGQYRHICQCI-UZLBHIALSA-N 2 2 334.467 3.216 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343732 457946248 /nfs/dbraw/zinc/94/62/48/457946248.db2.gz UCPOGQYRHICQCI-UZLBHIALSA-N 2 2 334.467 3.216 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427130793 457947298 /nfs/dbraw/zinc/94/72/98/457947298.db2.gz LWOPPKPSYNXREU-LPHOPBHVSA-N 2 2 338.499 3.354 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427130793 457947307 /nfs/dbraw/zinc/94/73/07/457947307.db2.gz LWOPPKPSYNXREU-LPHOPBHVSA-N 2 2 338.499 3.354 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[S@]1=O ZINC000411720364 457963088 /nfs/dbraw/zinc/96/30/88/457963088.db2.gz PNENANMLRQOCQD-WPSZSDGUSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[S@]1=O ZINC000411720364 457963098 /nfs/dbraw/zinc/96/30/98/457963098.db2.gz PNENANMLRQOCQD-WPSZSDGUSA-N 2 2 348.556 3.404 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](CCc2cccc(Cl)c2Cl)CC1 ZINC000434489350 458003942 /nfs/dbraw/zinc/00/39/42/458003942.db2.gz PXMAFUANZYCZGR-UHFFFAOYSA-N 2 2 339.270 3.092 20 0 EGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970914 458026331 /nfs/dbraw/zinc/02/63/31/458026331.db2.gz NXHHPXQPIKQAHV-UIFIKXQLSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@@](C)([C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970914 458026339 /nfs/dbraw/zinc/02/63/39/458026339.db2.gz NXHHPXQPIKQAHV-UIFIKXQLSA-N 2 2 346.515 3.071 20 0 EGADLP FC(F)(F)COCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375740320 458044659 /nfs/dbraw/zinc/04/46/59/458044659.db2.gz AWHMSYGCGCXAIV-KRWDZBQOSA-N 2 2 342.405 3.163 20 0 EGADLP FC(F)(F)COCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375740320 458044663 /nfs/dbraw/zinc/04/46/63/458044663.db2.gz AWHMSYGCGCXAIV-KRWDZBQOSA-N 2 2 342.405 3.163 20 0 EGADLP FC(F)(F)COCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375740320 458044667 /nfs/dbraw/zinc/04/46/67/458044667.db2.gz AWHMSYGCGCXAIV-KRWDZBQOSA-N 2 2 342.405 3.163 20 0 EGADLP FC(F)(F)COCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375740320 458044673 /nfs/dbraw/zinc/04/46/73/458044673.db2.gz AWHMSYGCGCXAIV-KRWDZBQOSA-N 2 2 342.405 3.163 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434753181 458046485 /nfs/dbraw/zinc/04/64/85/458046485.db2.gz BBEFLHXWGAVDNG-UHFFFAOYSA-N 2 2 346.519 3.047 20 0 EGADLP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1c(Cl)cccc1Cl ZINC000358513109 458050190 /nfs/dbraw/zinc/05/01/90/458050190.db2.gz VVOOWSYYQXSYLX-UHFFFAOYSA-N 2 2 342.270 3.007 20 0 EGADLP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1c(Cl)cccc1Cl ZINC000358513109 458050193 /nfs/dbraw/zinc/05/01/93/458050193.db2.gz VVOOWSYYQXSYLX-UHFFFAOYSA-N 2 2 342.270 3.007 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428043833 458070601 /nfs/dbraw/zinc/07/06/01/458070601.db2.gz ZMINICPXLFBTJJ-UYAOXDASSA-N 2 2 335.451 3.123 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428043833 458070608 /nfs/dbraw/zinc/07/06/08/458070608.db2.gz ZMINICPXLFBTJJ-UYAOXDASSA-N 2 2 335.451 3.123 20 0 EGADLP C[C@@H]1C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@H]1[NH3+] ZINC000435368293 458120196 /nfs/dbraw/zinc/12/01/96/458120196.db2.gz AIDZHLOFUNOKQC-BXUZGUMPSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@H]1[NH3+] ZINC000435368293 458120204 /nfs/dbraw/zinc/12/02/04/458120204.db2.gz AIDZHLOFUNOKQC-BXUZGUMPSA-N 2 2 349.276 3.008 20 0 EGADLP O=C(Nc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1)c1ccc(Cl)cc1 ZINC000435379769 458127927 /nfs/dbraw/zinc/12/79/27/458127927.db2.gz KSDXSXNYQZGOCD-UHFFFAOYSA-N 2 2 343.858 3.388 20 0 EGADLP O=C(Nc1cccc(C[N@H+]2CCC[NH2+]CC2)c1)c1ccc(Cl)cc1 ZINC000435379769 458127931 /nfs/dbraw/zinc/12/79/31/458127931.db2.gz KSDXSXNYQZGOCD-UHFFFAOYSA-N 2 2 343.858 3.388 20 0 EGADLP COc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435380728 458128522 /nfs/dbraw/zinc/12/85/22/458128522.db2.gz PIOFCKRLDUHMME-UHFFFAOYSA-N 2 2 332.469 3.131 20 0 EGADLP COc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OCc1cccs1 ZINC000435380728 458128528 /nfs/dbraw/zinc/12/85/28/458128528.db2.gz PIOFCKRLDUHMME-UHFFFAOYSA-N 2 2 332.469 3.131 20 0 EGADLP CCCCC1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369275199 458153024 /nfs/dbraw/zinc/15/30/24/458153024.db2.gz WJOLKVNAFSSUNC-CTWPCTMYSA-N 2 2 349.563 3.268 20 0 EGADLP CCCCC1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369275199 458153029 /nfs/dbraw/zinc/15/30/29/458153029.db2.gz WJOLKVNAFSSUNC-CTWPCTMYSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H](C)[NH+]1C ZINC000358696405 458156239 /nfs/dbraw/zinc/15/62/39/458156239.db2.gz RGUOWPOWYAJSRA-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)ccc2n1C1CC1 ZINC000412329513 458169849 /nfs/dbraw/zinc/16/98/49/458169849.db2.gz JQMIXBBONLNJDS-SFHVURJKSA-N 2 2 349.438 3.070 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C[N@@H+]1C1CC1 ZINC000428570455 458171672 /nfs/dbraw/zinc/17/16/72/458171672.db2.gz YFAFUJUIFSNSCZ-WUHBCXKYSA-N 2 2 346.490 3.114 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C[N@H+]1C1CC1 ZINC000428570455 458171679 /nfs/dbraw/zinc/17/16/79/458171679.db2.gz YFAFUJUIFSNSCZ-WUHBCXKYSA-N 2 2 346.490 3.114 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435613263 458173187 /nfs/dbraw/zinc/17/31/87/458173187.db2.gz AYRQEYIMSIJAAM-OAHLLOKOSA-N 2 2 331.485 3.393 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435613263 458173192 /nfs/dbraw/zinc/17/31/92/458173192.db2.gz AYRQEYIMSIJAAM-OAHLLOKOSA-N 2 2 331.485 3.393 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435618228 458174565 /nfs/dbraw/zinc/17/45/65/458174565.db2.gz SBBXSMAELNCBMQ-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000376042046 458174096 /nfs/dbraw/zinc/17/40/96/458174096.db2.gz JORDHAAMUMBUFG-OAHLLOKOSA-N 2 2 339.418 3.329 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000376042046 458174104 /nfs/dbraw/zinc/17/41/04/458174104.db2.gz JORDHAAMUMBUFG-OAHLLOKOSA-N 2 2 339.418 3.329 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435618228 458174557 /nfs/dbraw/zinc/17/45/57/458174557.db2.gz SBBXSMAELNCBMQ-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000435732599 458193409 /nfs/dbraw/zinc/19/34/09/458193409.db2.gz PXFYTSDMHKFINV-HNNXBMFYSA-N 2 2 349.475 3.081 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1cccc(F)c1)C[C@H]1CC[NH2+]C1 ZINC000435732599 458193416 /nfs/dbraw/zinc/19/34/16/458193416.db2.gz PXFYTSDMHKFINV-HNNXBMFYSA-N 2 2 349.475 3.081 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1O ZINC000446850126 458236269 /nfs/dbraw/zinc/23/62/69/458236269.db2.gz VXWPHUGUQAAMQD-INIZCTEOSA-N 2 2 334.504 3.434 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1O ZINC000446850126 458236275 /nfs/dbraw/zinc/23/62/75/458236275.db2.gz VXWPHUGUQAAMQD-INIZCTEOSA-N 2 2 334.504 3.434 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000428953622 458239887 /nfs/dbraw/zinc/23/98/87/458239887.db2.gz PFPVXDFOACKKCW-DFQSSKMNSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000428953622 458239892 /nfs/dbraw/zinc/23/98/92/458239892.db2.gz PFPVXDFOACKKCW-DFQSSKMNSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000428953622 458239896 /nfs/dbraw/zinc/23/98/96/458239896.db2.gz PFPVXDFOACKKCW-DFQSSKMNSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000428953622 458239900 /nfs/dbraw/zinc/23/99/00/458239900.db2.gz PFPVXDFOACKKCW-DFQSSKMNSA-N 2 2 336.483 3.300 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459069905 458258519 /nfs/dbraw/zinc/25/85/19/458258519.db2.gz FNBGDGLSVJTMDU-UHFFFAOYSA-N 2 2 332.492 3.106 20 0 EGADLP Fc1cccc2[nH]c(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cc21 ZINC000436271714 458279469 /nfs/dbraw/zinc/27/94/69/458279469.db2.gz RLTBGXJVWFCFPY-UHFFFAOYSA-N 2 2 338.430 3.456 20 0 EGADLP CSC[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289915 458307987 /nfs/dbraw/zinc/30/79/87/458307987.db2.gz CUZSYFSACBOCFY-WOJBJXKFSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289915 458307994 /nfs/dbraw/zinc/30/79/94/458307994.db2.gz CUZSYFSACBOCFY-WOJBJXKFSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289915 458308000 /nfs/dbraw/zinc/30/80/00/458308000.db2.gz CUZSYFSACBOCFY-WOJBJXKFSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289915 458308004 /nfs/dbraw/zinc/30/80/04/458308004.db2.gz CUZSYFSACBOCFY-WOJBJXKFSA-N 2 2 348.556 3.353 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469519 458309664 /nfs/dbraw/zinc/30/96/64/458309664.db2.gz RZGRJFQIAUEARU-FXAWDEMLSA-N 3 2 327.516 3.286 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469519 458309667 /nfs/dbraw/zinc/30/96/67/458309667.db2.gz RZGRJFQIAUEARU-FXAWDEMLSA-N 3 2 327.516 3.286 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(-c2cccs2)n1 ZINC000369683819 458316008 /nfs/dbraw/zinc/31/60/08/458316008.db2.gz PJPKAHZAWXFATG-CQSZACIVSA-N 2 2 341.484 3.262 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(-c2cccs2)n1 ZINC000369683819 458316012 /nfs/dbraw/zinc/31/60/12/458316012.db2.gz PJPKAHZAWXFATG-CQSZACIVSA-N 2 2 341.484 3.262 20 0 EGADLP CC1CCC(O)(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000376595134 458348758 /nfs/dbraw/zinc/34/87/58/458348758.db2.gz KUHUCBTTZYUKPS-OHTSDLOESA-N 2 2 331.504 3.340 20 0 EGADLP CC1CCC(O)(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000376595134 458348761 /nfs/dbraw/zinc/34/87/61/458348761.db2.gz KUHUCBTTZYUKPS-OHTSDLOESA-N 2 2 331.504 3.340 20 0 EGADLP C[C@@H]1SCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686474 458358300 /nfs/dbraw/zinc/35/83/00/458358300.db2.gz NMVIENZJRCEUPD-JENIJYKNSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1SCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686474 458358304 /nfs/dbraw/zinc/35/83/04/458358304.db2.gz NMVIENZJRCEUPD-JENIJYKNSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1SCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686474 458358309 /nfs/dbraw/zinc/35/83/09/458358309.db2.gz NMVIENZJRCEUPD-JENIJYKNSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1SCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]1C ZINC000429686474 458358315 /nfs/dbraw/zinc/35/83/15/458358315.db2.gz NMVIENZJRCEUPD-JENIJYKNSA-N 2 2 334.529 3.103 20 0 EGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000459427421 458367945 /nfs/dbraw/zinc/36/79/45/458367945.db2.gz FPRBIRWPQNNOCC-NRFANRHFSA-N 2 2 342.483 3.073 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448032503 458381350 /nfs/dbraw/zinc/38/13/50/458381350.db2.gz WUVRSMIGDUBAAG-QAPCUYQASA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448032503 458381357 /nfs/dbraw/zinc/38/13/57/458381357.db2.gz WUVRSMIGDUBAAG-QAPCUYQASA-N 2 2 347.503 3.122 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000459505599 458394528 /nfs/dbraw/zinc/39/45/28/458394528.db2.gz HZMUIQZEDSJRKB-CQSZACIVSA-N 2 2 334.261 3.215 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000459505599 458394530 /nfs/dbraw/zinc/39/45/30/458394530.db2.gz HZMUIQZEDSJRKB-CQSZACIVSA-N 2 2 334.261 3.215 20 0 EGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430130680 458406605 /nfs/dbraw/zinc/40/66/05/458406605.db2.gz WWWSLMOBBOLKSB-AWEZNQCLSA-N 2 2 348.491 3.055 20 0 EGADLP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000430130680 458406607 /nfs/dbraw/zinc/40/66/07/458406607.db2.gz WWWSLMOBBOLKSB-AWEZNQCLSA-N 2 2 348.491 3.055 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)oc21 ZINC000373224353 458435620 /nfs/dbraw/zinc/43/56/20/458435620.db2.gz SLPUSOCSIJJBTQ-BHYGNILZSA-N 2 2 344.455 3.345 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)oc21 ZINC000373224353 458435624 /nfs/dbraw/zinc/43/56/24/458435624.db2.gz SLPUSOCSIJJBTQ-BHYGNILZSA-N 2 2 344.455 3.345 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423502497 458444788 /nfs/dbraw/zinc/44/47/88/458444788.db2.gz MALMVPFMHCRBCA-YWZLYKJASA-N 2 2 335.455 3.180 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000430541530 458458670 /nfs/dbraw/zinc/45/86/70/458458670.db2.gz BINLLDWWKKANOJ-KRWDZBQOSA-N 2 2 333.457 3.002 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564936 458462544 /nfs/dbraw/zinc/46/25/44/458462544.db2.gz NNUCRHWOHYMEOT-KBPBESRZSA-N 2 2 349.475 3.420 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000430564936 458462547 /nfs/dbraw/zinc/46/25/47/458462547.db2.gz NNUCRHWOHYMEOT-KBPBESRZSA-N 2 2 349.475 3.420 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])n2)cc1F ZINC000430574656 458463124 /nfs/dbraw/zinc/46/31/24/458463124.db2.gz JCJFNOBLGCVIOI-RHSMWYFYSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])n2)cc1F ZINC000430574656 458463129 /nfs/dbraw/zinc/46/31/29/458463129.db2.gz JCJFNOBLGCVIOI-RHSMWYFYSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430585821 458466441 /nfs/dbraw/zinc/46/64/41/458466441.db2.gz RJDBAOCJFGFORE-DZGCQCFKSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430585821 458466445 /nfs/dbraw/zinc/46/64/45/458466445.db2.gz RJDBAOCJFGFORE-DZGCQCFKSA-N 2 2 325.884 3.281 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430591347 458467770 /nfs/dbraw/zinc/46/77/70/458467770.db2.gz FDJANUGFRQIEAH-XQQFMLRXSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430591347 458467773 /nfs/dbraw/zinc/46/77/73/458467773.db2.gz FDJANUGFRQIEAH-XQQFMLRXSA-N 2 2 343.393 3.092 20 0 EGADLP Cc1nc(-c2cccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c2)cs1 ZINC000430590891 458467874 /nfs/dbraw/zinc/46/78/74/458467874.db2.gz MDINMZCPVGXWPO-GOSISDBHSA-N 2 2 346.500 3.020 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430600300 458469554 /nfs/dbraw/zinc/46/95/54/458469554.db2.gz HGNBPDNYORVXQJ-OAHLLOKOSA-N 2 2 345.874 3.485 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430600300 458469558 /nfs/dbraw/zinc/46/95/58/458469558.db2.gz HGNBPDNYORVXQJ-OAHLLOKOSA-N 2 2 345.874 3.485 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604103 458470487 /nfs/dbraw/zinc/47/04/87/458470487.db2.gz LYNDVXFZWDXMQS-NEPJUHHUSA-N 2 2 344.286 3.252 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604103 458470490 /nfs/dbraw/zinc/47/04/90/458470490.db2.gz LYNDVXFZWDXMQS-NEPJUHHUSA-N 2 2 344.286 3.252 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607255 458470761 /nfs/dbraw/zinc/47/07/61/458470761.db2.gz XZGCOXFYDLXYDT-ZIAGYGMSSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000430607255 458470763 /nfs/dbraw/zinc/47/07/63/458470763.db2.gz XZGCOXFYDLXYDT-ZIAGYGMSSA-N 2 2 332.423 3.177 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430608284 458470865 /nfs/dbraw/zinc/47/08/65/458470865.db2.gz FAUGUTWHHQQQIH-AWEZNQCLSA-N 2 2 331.485 3.380 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000430608284 458470869 /nfs/dbraw/zinc/47/08/69/458470869.db2.gz FAUGUTWHHQQQIH-AWEZNQCLSA-N 2 2 331.485 3.380 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619183 458471723 /nfs/dbraw/zinc/47/17/23/458471723.db2.gz ZQSMXLSUJCOGRZ-CHWSQXEVSA-N 2 2 334.851 3.382 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619183 458471726 /nfs/dbraw/zinc/47/17/26/458471726.db2.gz ZQSMXLSUJCOGRZ-CHWSQXEVSA-N 2 2 334.851 3.382 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@H+](C)C2CC[NH2+]CC2)C(C)C)cc1 ZINC000430669731 458477983 /nfs/dbraw/zinc/47/79/83/458477983.db2.gz ULQJODNUXSFFCE-NRFANRHFSA-N 2 2 345.531 3.307 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)C(C)C)cc1 ZINC000430669731 458477992 /nfs/dbraw/zinc/47/79/92/458477992.db2.gz ULQJODNUXSFFCE-NRFANRHFSA-N 2 2 345.531 3.307 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(Cl)cc3F)[nH+]c2)C1 ZINC000437787874 458494002 /nfs/dbraw/zinc/49/40/02/458494002.db2.gz RTSPMQBROXLLFG-INIZCTEOSA-N 2 2 348.853 3.048 20 0 EGADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423853525 458498131 /nfs/dbraw/zinc/49/81/31/458498131.db2.gz UYCZOUDBJTTXMJ-INIZCTEOSA-N 2 2 336.439 3.073 20 0 EGADLP CCC[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CC[NH2+]C1 ZINC000430960829 458511633 /nfs/dbraw/zinc/51/16/33/458511633.db2.gz LTLBBAAPHQQYJP-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CC[NH2+]C1 ZINC000430960829 458511641 /nfs/dbraw/zinc/51/16/41/458511641.db2.gz LTLBBAAPHQQYJP-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)ccc2n1C1CC1 ZINC000423927969 458514391 /nfs/dbraw/zinc/51/43/91/458514391.db2.gz GPNLORJZTHBWMT-LSDHHAIUSA-N 2 2 340.471 3.067 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100983 458532722 /nfs/dbraw/zinc/53/27/22/458532722.db2.gz FDAVNAVFLDOCLB-HNNXBMFYSA-N 2 2 330.501 3.302 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100983 458532729 /nfs/dbraw/zinc/53/27/29/458532729.db2.gz FDAVNAVFLDOCLB-HNNXBMFYSA-N 2 2 330.501 3.302 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100983 458532732 /nfs/dbraw/zinc/53/27/32/458532732.db2.gz FDAVNAVFLDOCLB-HNNXBMFYSA-N 2 2 330.501 3.302 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000438100983 458532736 /nfs/dbraw/zinc/53/27/36/458532736.db2.gz FDAVNAVFLDOCLB-HNNXBMFYSA-N 2 2 330.501 3.302 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825353 458543211 /nfs/dbraw/zinc/54/32/11/458543211.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 3 2 340.515 3.368 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825353 458543213 /nfs/dbraw/zinc/54/32/13/458543213.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 3 2 340.515 3.368 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000377825353 458543216 /nfs/dbraw/zinc/54/32/16/458543216.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 3 2 340.515 3.368 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000377825353 458543220 /nfs/dbraw/zinc/54/32/20/458543220.db2.gz AZKHZAZBVQDUCL-IBGZPJMESA-N 3 2 340.515 3.368 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000438165810 458545058 /nfs/dbraw/zinc/54/50/58/458545058.db2.gz LXMRDQYDSNOTMQ-GDBMZVCRSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000438165810 458545064 /nfs/dbraw/zinc/54/50/64/458545064.db2.gz LXMRDQYDSNOTMQ-GDBMZVCRSA-N 2 2 340.427 3.478 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000424139525 458567849 /nfs/dbraw/zinc/56/78/49/458567849.db2.gz VNEBASQWKSQNTR-UHFFFAOYSA-N 2 2 331.410 3.422 20 0 EGADLP Cc1c[nH+]ccc1OC1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431413895 458569352 /nfs/dbraw/zinc/56/93/52/458569352.db2.gz JYSGKHXNEHIKBL-UHFFFAOYSA-N 2 2 340.402 3.464 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000378014697 458599412 /nfs/dbraw/zinc/59/94/12/458599412.db2.gz YAUJSJAIBIVTOR-HNNXBMFYSA-N 2 2 348.491 3.058 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000438572126 458601546 /nfs/dbraw/zinc/60/15/46/458601546.db2.gz CNOPURBULKMSOO-UHFFFAOYSA-N 2 2 334.423 3.229 20 0 EGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000469954464 458602802 /nfs/dbraw/zinc/60/28/02/458602802.db2.gz VFZBUZMJTNOYQE-UGKGYDQZSA-N 2 2 343.559 3.310 20 0 EGADLP CC(C)c1ccc(CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000469954464 458602807 /nfs/dbraw/zinc/60/28/07/458602807.db2.gz VFZBUZMJTNOYQE-UGKGYDQZSA-N 2 2 343.559 3.310 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000469989468 458605189 /nfs/dbraw/zinc/60/51/89/458605189.db2.gz GKPYYJZBPBCARW-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000469989468 458605195 /nfs/dbraw/zinc/60/51/95/458605195.db2.gz GKPYYJZBPBCARW-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000424340246 458620599 /nfs/dbraw/zinc/62/05/99/458620599.db2.gz XPCAFNIMGWPEMW-UYAOXDASSA-N 2 2 337.467 3.075 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1OC ZINC000502255599 458641938 /nfs/dbraw/zinc/64/19/38/458641938.db2.gz PMGDJFJESMSUHX-KRWDZBQOSA-N 2 2 334.504 3.409 20 0 EGADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000462813044 458657784 /nfs/dbraw/zinc/65/77/84/458657784.db2.gz KCTBIWDQWYQZDM-SJORKVTESA-N 2 2 342.531 3.060 20 0 EGADLP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000462813044 458657787 /nfs/dbraw/zinc/65/77/87/458657787.db2.gz KCTBIWDQWYQZDM-SJORKVTESA-N 2 2 342.531 3.060 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841369 458661668 /nfs/dbraw/zinc/66/16/68/458661668.db2.gz ZJTJYAVJHDEVHI-YUXAGFNASA-N 2 2 338.495 3.354 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841369 458661675 /nfs/dbraw/zinc/66/16/75/458661675.db2.gz ZJTJYAVJHDEVHI-YUXAGFNASA-N 2 2 338.495 3.354 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924617 458668333 /nfs/dbraw/zinc/66/83/33/458668333.db2.gz KIBHZFICEUYHQU-FUHWJXTLSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924617 458668338 /nfs/dbraw/zinc/66/83/38/458668338.db2.gz KIBHZFICEUYHQU-FUHWJXTLSA-N 2 2 343.519 3.389 20 0 EGADLP Clc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000494433103 458675650 /nfs/dbraw/zinc/67/56/50/458675650.db2.gz VHOOWYMLPLHYOD-LLVKDONJSA-N 2 2 340.652 3.404 20 0 EGADLP c1cc(C2CCC2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502894404 458677866 /nfs/dbraw/zinc/67/78/66/458677866.db2.gz WCCPNJOGZFHRIL-IBGZPJMESA-N 2 2 328.500 3.498 20 0 EGADLP c1cc(C2CCC2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502894404 458677873 /nfs/dbraw/zinc/67/78/73/458677873.db2.gz WCCPNJOGZFHRIL-IBGZPJMESA-N 2 2 328.500 3.498 20 0 EGADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502917705 458680256 /nfs/dbraw/zinc/68/02/56/458680256.db2.gz DOFADGXAOKUDDC-KRWDZBQOSA-N 2 2 328.460 3.403 20 0 EGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502917705 458680264 /nfs/dbraw/zinc/68/02/64/458680264.db2.gz DOFADGXAOKUDDC-KRWDZBQOSA-N 2 2 328.460 3.403 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000463252122 458687263 /nfs/dbraw/zinc/68/72/63/458687263.db2.gz YSMUTNLEISBBON-UHFFFAOYSA-N 3 2 343.559 3.405 20 0 EGADLP CC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000456525787 458702925 /nfs/dbraw/zinc/70/29/25/458702925.db2.gz RASFWEQLURQEQI-INIZCTEOSA-N 2 2 339.439 3.430 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(C3CCCC3)s2)CCCO1 ZINC000432346344 458722236 /nfs/dbraw/zinc/72/22/36/458722236.db2.gz LEZGYAMFXWYGFZ-HNNXBMFYSA-N 2 2 337.533 3.391 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(C3CCCC3)s2)CCCO1 ZINC000432346344 458722243 /nfs/dbraw/zinc/72/22/43/458722243.db2.gz LEZGYAMFXWYGFZ-HNNXBMFYSA-N 2 2 337.533 3.391 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c(C)c[nH+]1 ZINC000547510224 458752939 /nfs/dbraw/zinc/75/29/39/458752939.db2.gz SJLSPXHAAMVRPH-UHFFFAOYSA-N 2 2 332.492 3.287 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]CCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1C ZINC000472055493 458765076 /nfs/dbraw/zinc/76/50/76/458765076.db2.gz ZWCFJUFWPKGNSL-HZPDHXFCSA-N 2 2 329.488 3.374 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082337 458795286 /nfs/dbraw/zinc/79/52/86/458795286.db2.gz BSKLTSNNLVUSEM-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082337 458795290 /nfs/dbraw/zinc/79/52/90/458795290.db2.gz BSKLTSNNLVUSEM-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082337 458795294 /nfs/dbraw/zinc/79/52/94/458795294.db2.gz BSKLTSNNLVUSEM-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)[C@@H]2C1 ZINC000495082337 458795297 /nfs/dbraw/zinc/79/52/97/458795297.db2.gz BSKLTSNNLVUSEM-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461348 458796886 /nfs/dbraw/zinc/79/68/86/458796886.db2.gz HLBJXHDERBFHDX-HXUWFJFHSA-N 2 2 349.563 3.127 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461348 458796892 /nfs/dbraw/zinc/79/68/92/458796892.db2.gz HLBJXHDERBFHDX-HXUWFJFHSA-N 2 2 349.563 3.127 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461348 458796894 /nfs/dbraw/zinc/79/68/94/458796894.db2.gz HLBJXHDERBFHDX-HXUWFJFHSA-N 2 2 349.563 3.127 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461348 458796899 /nfs/dbraw/zinc/79/68/99/458796899.db2.gz HLBJXHDERBFHDX-HXUWFJFHSA-N 2 2 349.563 3.127 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483097 458798294 /nfs/dbraw/zinc/79/82/94/458798294.db2.gz DMRNXHPPSQNHES-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483097 458798298 /nfs/dbraw/zinc/79/82/98/458798298.db2.gz DMRNXHPPSQNHES-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483097 458798302 /nfs/dbraw/zinc/79/83/02/458798302.db2.gz DMRNXHPPSQNHES-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483097 458798306 /nfs/dbraw/zinc/79/83/06/458798306.db2.gz DMRNXHPPSQNHES-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1csc(COc3ccccc3)n1)CC2 ZINC000547967543 458815739 /nfs/dbraw/zinc/81/57/39/458815739.db2.gz PCWZNRYFUGDCQY-CQSZACIVSA-N 2 2 340.452 3.023 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000441198133 458898261 /nfs/dbraw/zinc/89/82/61/458898261.db2.gz AYJLSYBFXUULOA-UWJYYQICSA-N 2 2 349.478 3.033 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329381 458919848 /nfs/dbraw/zinc/91/98/48/458919848.db2.gz XMNWNNQBVHYTMT-QFBILLFUSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441329381 458919855 /nfs/dbraw/zinc/91/98/55/458919855.db2.gz XMNWNNQBVHYTMT-QFBILLFUSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441329381 458919858 /nfs/dbraw/zinc/91/98/58/458919858.db2.gz XMNWNNQBVHYTMT-QFBILLFUSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441329381 458919863 /nfs/dbraw/zinc/91/98/63/458919863.db2.gz XMNWNNQBVHYTMT-QFBILLFUSA-N 2 2 331.504 3.382 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000556118995 458928328 /nfs/dbraw/zinc/92/83/28/458928328.db2.gz XEORUMGQYKCMSB-IHPCNDPISA-N 2 2 340.467 3.154 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000556118995 458928333 /nfs/dbraw/zinc/92/83/33/458928333.db2.gz XEORUMGQYKCMSB-IHPCNDPISA-N 2 2 340.467 3.154 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000466891489 458930161 /nfs/dbraw/zinc/93/01/61/458930161.db2.gz RLJWBMUVNQNCDA-STZQEDGTSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000466891489 458930171 /nfs/dbraw/zinc/93/01/71/458930171.db2.gz RLJWBMUVNQNCDA-STZQEDGTSA-N 2 2 338.495 3.009 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000576850463 458935309 /nfs/dbraw/zinc/93/53/09/458935309.db2.gz CWLRGMVYHCEMON-GUXCAODWSA-N 2 2 337.467 3.415 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441397232 458935912 /nfs/dbraw/zinc/93/59/12/458935912.db2.gz TUIDJGZMBVXJPH-ABSDTBQOSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441397232 458935916 /nfs/dbraw/zinc/93/59/16/458935916.db2.gz TUIDJGZMBVXJPH-ABSDTBQOSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441397232 458935923 /nfs/dbraw/zinc/93/59/23/458935923.db2.gz TUIDJGZMBVXJPH-ABSDTBQOSA-N 2 2 341.499 3.271 20 0 EGADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000576932839 458950199 /nfs/dbraw/zinc/95/01/99/458950199.db2.gz ZJHNATDDNWZXIE-UHFFFAOYSA-N 2 2 334.382 3.020 20 0 EGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000576932839 458950201 /nfs/dbraw/zinc/95/02/01/458950201.db2.gz ZJHNATDDNWZXIE-UHFFFAOYSA-N 2 2 334.382 3.020 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000475635537 458957004 /nfs/dbraw/zinc/95/70/04/458957004.db2.gz BMQKPYGQOLEMIE-HIFRSBDPSA-N 2 2 342.405 3.385 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000475635537 458957009 /nfs/dbraw/zinc/95/70/09/458957009.db2.gz BMQKPYGQOLEMIE-HIFRSBDPSA-N 2 2 342.405 3.385 20 0 EGADLP Cc1c[nH]c(C(C)(C)NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC000566684007 458982723 /nfs/dbraw/zinc/98/27/23/458982723.db2.gz MSECXHPWHIOMQJ-UHFFFAOYSA-N 2 2 340.471 3.369 20 0 EGADLP Cc1cccc(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000577183581 458993609 /nfs/dbraw/zinc/99/36/09/458993609.db2.gz JQYXSVQYXDWYPS-IBGZPJMESA-N 2 2 337.467 3.155 20 0 EGADLP CC(C)[NH+]1CCC(Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CC1 ZINC000495916128 459004027 /nfs/dbraw/zinc/00/40/27/459004027.db2.gz TZFVJFLTSJMBCD-UHFFFAOYSA-N 2 2 348.491 3.391 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324795 459016098 /nfs/dbraw/zinc/01/60/98/459016098.db2.gz YEQQEMSNNWHMHU-NVXWUHKLSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324795 459016106 /nfs/dbraw/zinc/01/61/06/459016106.db2.gz YEQQEMSNNWHMHU-NVXWUHKLSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@@H](CC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577324795 459016116 /nfs/dbraw/zinc/01/61/16/459016116.db2.gz YEQQEMSNNWHMHU-NVXWUHKLSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@@H](CC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577324795 459016120 /nfs/dbraw/zinc/01/61/20/459016120.db2.gz YEQQEMSNNWHMHU-NVXWUHKLSA-N 2 2 338.517 3.152 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753295 459031592 /nfs/dbraw/zinc/03/15/92/459031592.db2.gz GHLJNTKPPWHLAB-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753295 459031595 /nfs/dbraw/zinc/03/15/95/459031595.db2.gz GHLJNTKPPWHLAB-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[NH+](C)Cc1ccc(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)cc1 ZINC000442772954 459033790 /nfs/dbraw/zinc/03/37/90/459033790.db2.gz SPTSIUKKVDXLIJ-GOSISDBHSA-N 2 2 334.423 3.185 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780466 459034772 /nfs/dbraw/zinc/03/47/72/459034772.db2.gz NQWNDZVVDOVZBC-OLZOCXBDSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780466 459034777 /nfs/dbraw/zinc/03/47/77/459034777.db2.gz NQWNDZVVDOVZBC-OLZOCXBDSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000556952704 459036175 /nfs/dbraw/zinc/03/61/75/459036175.db2.gz MPMCMIYVSVMMHX-AUUYWEPGSA-N 2 2 341.430 3.019 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239609 459052123 /nfs/dbraw/zinc/05/21/23/459052123.db2.gz TXFZJTJPXBHUCL-CXAGYDPISA-N 2 2 337.305 3.238 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239609 459052126 /nfs/dbraw/zinc/05/21/26/459052126.db2.gz TXFZJTJPXBHUCL-CXAGYDPISA-N 2 2 337.305 3.238 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000594520851 459077538 /nfs/dbraw/zinc/07/75/38/459077538.db2.gz QEBUVDOJPFRMHD-HIEASXQVSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000594520851 459077547 /nfs/dbraw/zinc/07/75/47/459077547.db2.gz QEBUVDOJPFRMHD-HIEASXQVSA-N 2 2 336.520 3.493 20 0 EGADLP CCCOc1cccc2c(N[C@@H](C)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000478271411 459082839 /nfs/dbraw/zinc/08/28/39/459082839.db2.gz ANKCEQXKSFXUNE-HNNXBMFYSA-N 2 2 329.444 3.156 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000532467005 459093196 /nfs/dbraw/zinc/09/31/96/459093196.db2.gz OIOHIYAQPXPRIJ-SWLSCSKDSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000532467005 459093198 /nfs/dbraw/zinc/09/31/98/459093198.db2.gz OIOHIYAQPXPRIJ-SWLSCSKDSA-N 2 2 343.393 3.106 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2cc(Br)ccc2F)n1C ZINC000567407755 459102529 /nfs/dbraw/zinc/10/25/29/459102529.db2.gz IXELUCFHSCJCAV-JTQLQIEISA-N 2 2 340.240 3.351 20 0 EGADLP Cc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000567456309 459109301 /nfs/dbraw/zinc/10/93/01/459109301.db2.gz HZQLJXLITKWSQL-IRXDYDNUSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000567456309 459109308 /nfs/dbraw/zinc/10/93/08/459109308.db2.gz HZQLJXLITKWSQL-IRXDYDNUSA-N 2 2 326.444 3.009 20 0 EGADLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000577866070 459110866 /nfs/dbraw/zinc/11/08/66/459110866.db2.gz XJBJWAXJBMFIFK-QGZVFWFLSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000577866070 459110874 /nfs/dbraw/zinc/11/08/74/459110874.db2.gz XJBJWAXJBMFIFK-QGZVFWFLSA-N 2 2 326.843 3.166 20 0 EGADLP CC(C)OC(=O)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000594621872 459117289 /nfs/dbraw/zinc/11/72/89/459117289.db2.gz CPGQLHDDHJZVOO-QGZVFWFLSA-N 2 2 333.476 3.006 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000480036195 459179411 /nfs/dbraw/zinc/17/94/11/459179411.db2.gz DDAODOXHCVFBEW-ZBFHGGJFSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000480036195 459179414 /nfs/dbraw/zinc/17/94/14/459179414.db2.gz DDAODOXHCVFBEW-ZBFHGGJFSA-N 2 2 340.895 3.356 20 0 EGADLP c1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123009 459194017 /nfs/dbraw/zinc/19/40/17/459194017.db2.gz ARZOPODJKQDGBR-PKOBYXMFSA-N 2 2 333.439 3.124 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000480767779 459218458 /nfs/dbraw/zinc/21/84/58/459218458.db2.gz FJSUZDIGIXXQEI-ATZDWAIDSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000480767779 459218467 /nfs/dbraw/zinc/21/84/67/459218467.db2.gz FJSUZDIGIXXQEI-ATZDWAIDSA-N 2 2 335.923 3.407 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000559300062 459250656 /nfs/dbraw/zinc/25/06/56/459250656.db2.gz JKBDLLYMCSPGKT-LNLFQRSKSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000559300062 459250663 /nfs/dbraw/zinc/25/06/63/459250663.db2.gz JKBDLLYMCSPGKT-LNLFQRSKSA-N 2 2 336.520 3.495 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000568251650 459257797 /nfs/dbraw/zinc/25/77/97/459257797.db2.gz XLUSSUVFBHMXDQ-WBVHZDCISA-N 2 2 342.487 3.124 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568251650 459257802 /nfs/dbraw/zinc/25/78/02/459257802.db2.gz XLUSSUVFBHMXDQ-WBVHZDCISA-N 2 2 342.487 3.124 20 0 EGADLP C(=C\c1ccccc1)\C[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000533889275 459276153 /nfs/dbraw/zinc/27/61/53/459276153.db2.gz ATZNOLODUVPONK-DAXSKMNVSA-N 2 2 349.482 3.134 20 0 EGADLP O=[S@@](CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccccc1 ZINC000595512316 459330598 /nfs/dbraw/zinc/33/05/98/459330598.db2.gz XLNCJTACPNRAJG-DEOSSOPVSA-N 2 2 342.508 3.048 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764274 459341466 /nfs/dbraw/zinc/34/14/66/459341466.db2.gz OVNSJAITEZZOQL-APWZRJJASA-N 2 2 342.483 3.325 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764274 459341468 /nfs/dbraw/zinc/34/14/68/459341468.db2.gz OVNSJAITEZZOQL-APWZRJJASA-N 2 2 342.483 3.325 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3F)C[C@@H]21 ZINC000568772102 459344220 /nfs/dbraw/zinc/34/42/20/459344220.db2.gz OAVDQLJSRUYTDI-LJWDBELGSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3F)C[C@@H]21 ZINC000568772102 459344224 /nfs/dbraw/zinc/34/42/24/459344224.db2.gz OAVDQLJSRUYTDI-LJWDBELGSA-N 2 2 345.231 3.287 20 0 EGADLP Cc1cccc(C)c1OCCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000496952322 459383601 /nfs/dbraw/zinc/38/36/01/459383601.db2.gz SKWAYEIOAHKBBS-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP Cc1cccc(C)c1OCCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000496952322 459383607 /nfs/dbraw/zinc/38/36/07/459383607.db2.gz SKWAYEIOAHKBBS-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)Cc1ccc(F)cc1)[NH+](C)C ZINC000569232152 459418782 /nfs/dbraw/zinc/41/87/82/459418782.db2.gz LOUBTYKXSQCOBU-SCWSEQNSSA-N 2 2 344.474 3.319 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[NH+]1CC(C)C1 ZINC000561109516 459420579 /nfs/dbraw/zinc/42/05/79/459420579.db2.gz KRUPOKOCZLELIW-AWEZNQCLSA-N 2 2 326.444 3.041 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]1C ZINC000484907114 459434126 /nfs/dbraw/zinc/43/41/26/459434126.db2.gz IVEBORUPYDAFHO-KSZLIROESA-N 2 2 325.541 3.122 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]1C ZINC000484907114 459434134 /nfs/dbraw/zinc/43/41/34/459434134.db2.gz IVEBORUPYDAFHO-KSZLIROESA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]1C ZINC000484907114 459434141 /nfs/dbraw/zinc/43/41/41/459434141.db2.gz IVEBORUPYDAFHO-KSZLIROESA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)C[C@H]1C ZINC000484907114 459434149 /nfs/dbraw/zinc/43/41/49/459434149.db2.gz IVEBORUPYDAFHO-KSZLIROESA-N 2 2 325.541 3.122 20 0 EGADLP CC(C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccn1 ZINC000569587648 459476609 /nfs/dbraw/zinc/47/66/09/459476609.db2.gz GMUBXBMQHUGVIP-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccn1 ZINC000569587648 459476616 /nfs/dbraw/zinc/47/66/16/459476616.db2.gz GMUBXBMQHUGVIP-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000569697531 459495954 /nfs/dbraw/zinc/49/59/54/459495954.db2.gz RHFKDYKNNXHMMU-INIZCTEOSA-N 2 2 344.459 3.194 20 0 EGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000562517598 459576103 /nfs/dbraw/zinc/57/61/03/459576103.db2.gz DYFGDETZVMCGGO-LJQANCHMSA-N 2 2 332.419 3.020 20 0 EGADLP CCc1ccc([C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+](C)C)cc1 ZINC000592454445 459603042 /nfs/dbraw/zinc/60/30/42/459603042.db2.gz SCWZCZSREUPLRZ-GOSISDBHSA-N 2 2 339.487 3.354 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000499913567 459657802 /nfs/dbraw/zinc/65/78/02/459657802.db2.gz OMFJUYZKWCHGHQ-FQEVSTJZSA-N 2 2 349.494 3.057 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000499913567 459657808 /nfs/dbraw/zinc/65/78/08/459657808.db2.gz OMFJUYZKWCHGHQ-FQEVSTJZSA-N 2 2 349.494 3.057 20 0 EGADLP CCC(CC)[C@@H](CNc1nc(-c2ccncc2)[nH+]c(C)c1C)[NH+](C)C ZINC000500468791 459679815 /nfs/dbraw/zinc/67/98/15/459679815.db2.gz VEYPNJQXTQEIQH-GOSISDBHSA-N 2 2 341.503 3.356 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527638599 459681082 /nfs/dbraw/zinc/68/10/82/459681082.db2.gz XQLBRUNTDCJMGO-VIFPVBQESA-N 2 2 330.176 3.102 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527644992 459683508 /nfs/dbraw/zinc/68/35/08/459683508.db2.gz LSXXJIAROXXGIS-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527644992 459683512 /nfs/dbraw/zinc/68/35/12/459683512.db2.gz LSXXJIAROXXGIS-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP C[C@H](CC[NH2+]Cc1ncc(Br)cc1F)[NH+]1CCCCC1 ZINC000527693988 459702615 /nfs/dbraw/zinc/70/26/15/459702615.db2.gz ZBVZQLMBRUNXAP-GFCCVEGCSA-N 2 2 344.272 3.337 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000573665627 459713126 /nfs/dbraw/zinc/71/31/26/459713126.db2.gz UCGROIDQDNTJQP-FQEVSTJZSA-N 2 2 332.451 3.362 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000573693879 459719915 /nfs/dbraw/zinc/71/99/15/459719915.db2.gz WWGGZLJCDLSDOK-QGZVFWFLSA-N 2 2 337.467 3.052 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000573693879 459719922 /nfs/dbraw/zinc/71/99/22/459719922.db2.gz WWGGZLJCDLSDOK-QGZVFWFLSA-N 2 2 337.467 3.052 20 0 EGADLP Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1Oc1cc[nH+]cc1 ZINC000584564234 459767308 /nfs/dbraw/zinc/76/73/08/459767308.db2.gz LPTXMSQCGIOEJZ-UHFFFAOYSA-N 2 2 325.412 3.006 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)[C@H]3CC34CC4)CC2)cc1 ZINC000527902792 459769901 /nfs/dbraw/zinc/76/99/01/459769901.db2.gz GZUHWBZDFCSOEB-MGPUTAFESA-N 2 2 341.499 3.388 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977192 459787122 /nfs/dbraw/zinc/78/71/22/459787122.db2.gz CONRRHBFEBOHQY-OTYXRUKQSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977192 459787126 /nfs/dbraw/zinc/78/71/26/459787126.db2.gz CONRRHBFEBOHQY-OTYXRUKQSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000527998534 459790993 /nfs/dbraw/zinc/79/09/93/459790993.db2.gz IPRYELDGRQKSBW-YSGRDPCXSA-N 2 2 341.499 3.183 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866534 459864177 /nfs/dbraw/zinc/86/41/77/459864177.db2.gz APMSVXUETFCOFQ-RTBURBONSA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866534 459864184 /nfs/dbraw/zinc/86/41/84/459864184.db2.gz APMSVXUETFCOFQ-RTBURBONSA-N 2 2 348.849 3.225 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000574912602 459892983 /nfs/dbraw/zinc/89/29/83/459892983.db2.gz OSKNGGVIEAKNTK-HOTGVXAUSA-N 2 2 344.421 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000574912602 459892986 /nfs/dbraw/zinc/89/29/86/459892986.db2.gz OSKNGGVIEAKNTK-HOTGVXAUSA-N 2 2 344.421 3.073 20 0 EGADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCc3cc[nH+]cc3C)ccc2NC1=O ZINC000575284597 459957592 /nfs/dbraw/zinc/95/75/92/459957592.db2.gz UKATYGDZUPYCNL-KDOFPFPSSA-N 2 2 339.439 3.393 20 0 EGADLP Fc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000575431009 459975208 /nfs/dbraw/zinc/97/52/08/459975208.db2.gz QXNGSBDYOTYAOU-HNNXBMFYSA-N 2 2 346.368 3.136 20 0 EGADLP C[C@H]([NH3+])CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000575751368 459996588 /nfs/dbraw/zinc/99/65/88/459996588.db2.gz CERFEAAYYCGEDH-HNNXBMFYSA-N 2 2 345.437 3.019 20 0 EGADLP COCC(C)(C)CCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000575862711 460019403 /nfs/dbraw/zinc/01/94/03/460019403.db2.gz KXCGRZJQXKWNTR-KRWDZBQOSA-N 2 2 347.503 3.056 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000598952542 460101444 /nfs/dbraw/zinc/10/14/44/460101444.db2.gz MFYQYRGPJLKNSG-SFHVURJKSA-N 2 2 343.471 3.201 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1F ZINC000589644256 460120673 /nfs/dbraw/zinc/12/06/73/460120673.db2.gz JIIUBEWPUFJZOW-UHFFFAOYSA-N 2 2 349.413 3.496 20 0 EGADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576648622 460186374 /nfs/dbraw/zinc/18/63/74/460186374.db2.gz QTHHVRQJWAMONY-LJQANCHMSA-N 2 2 333.520 3.221 20 0 EGADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576648622 460186382 /nfs/dbraw/zinc/18/63/82/460186382.db2.gz QTHHVRQJWAMONY-LJQANCHMSA-N 2 2 333.520 3.221 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000576704268 460197579 /nfs/dbraw/zinc/19/75/79/460197579.db2.gz GBRGYYDIBLAHRD-YLJYHZDGSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000576704268 460197584 /nfs/dbraw/zinc/19/75/84/460197584.db2.gz GBRGYYDIBLAHRD-YLJYHZDGSA-N 2 2 337.467 3.346 20 0 EGADLP FC(F)Oc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517448 460315973 /nfs/dbraw/zinc/31/59/73/460315973.db2.gz WUZNCHHIQSONAH-INIZCTEOSA-N 2 2 340.414 3.021 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000625960617 460316742 /nfs/dbraw/zinc/31/67/42/460316742.db2.gz RLTORYICHDQDSO-LJQANCHMSA-N 2 2 328.500 3.293 20 0 EGADLP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000631442025 460381336 /nfs/dbraw/zinc/38/13/36/460381336.db2.gz UPMZECLTNLJYDB-PBHICJAKSA-N 2 2 326.444 3.022 20 0 EGADLP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000631442025 460381344 /nfs/dbraw/zinc/38/13/44/460381344.db2.gz UPMZECLTNLJYDB-PBHICJAKSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089653 460409227 /nfs/dbraw/zinc/40/92/27/460409227.db2.gz QWPJOGBWBQCCKL-UHFFFAOYSA-N 2 2 348.441 3.247 20 0 EGADLP C[NH+](C)CCCC(C)(C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000615856128 460409408 /nfs/dbraw/zinc/40/94/08/460409408.db2.gz DHOFTIQWRWAJSD-QGZVFWFLSA-N 2 2 342.487 3.168 20 0 EGADLP O[C@@]1(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649550 460457771 /nfs/dbraw/zinc/45/77/71/460457771.db2.gz PJWPZSTWXGNHOQ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649550 460457779 /nfs/dbraw/zinc/45/77/79/460457779.db2.gz PJWPZSTWXGNHOQ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649550 460457787 /nfs/dbraw/zinc/45/77/87/460457787.db2.gz PJWPZSTWXGNHOQ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649550 460457794 /nfs/dbraw/zinc/45/77/94/460457794.db2.gz PJWPZSTWXGNHOQ-RTWAWAEBSA-N 2 2 340.442 3.210 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCc4ncccc43)[nH+]c2)C1 ZINC000631612740 460472233 /nfs/dbraw/zinc/47/22/33/460472233.db2.gz YLGRPBQVOIFPBT-QFBILLFUSA-N 2 2 337.471 3.106 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCc4ncccc43)[nH+]c2)C1 ZINC000631612735 460472582 /nfs/dbraw/zinc/47/25/82/460472582.db2.gz YLGRPBQVOIFPBT-APWZRJJASA-N 2 2 337.471 3.106 20 0 EGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(OC)c1OC ZINC000631626927 460477856 /nfs/dbraw/zinc/47/78/56/460477856.db2.gz ZLOVUHRYAVGQHB-MRXNPFEDSA-N 2 2 329.444 3.478 20 0 EGADLP C[C@@H](N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)c1[nH+]ccn1C ZINC000631662011 460496133 /nfs/dbraw/zinc/49/61/33/460496133.db2.gz WNMOUPDPNPXEQJ-IUODEOHRSA-N 2 2 340.393 3.392 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000631665798 460499172 /nfs/dbraw/zinc/49/91/72/460499172.db2.gz XZBMJNGPHSXVPZ-UHOSZYNNSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000631665798 460499181 /nfs/dbraw/zinc/49/91/81/460499181.db2.gz XZBMJNGPHSXVPZ-UHOSZYNNSA-N 2 2 326.488 3.229 20 0 EGADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000623838261 460737134 /nfs/dbraw/zinc/73/71/34/460737134.db2.gz MSFZSTQKEABTLA-IBGZPJMESA-N 2 2 330.859 3.163 20 0 EGADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000623838261 460737137 /nfs/dbraw/zinc/73/71/37/460737137.db2.gz MSFZSTQKEABTLA-IBGZPJMESA-N 2 2 330.859 3.163 20 0 EGADLP C[C@H](CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCCCC1 ZINC000632432260 460746053 /nfs/dbraw/zinc/74/60/53/460746053.db2.gz ISLWDMDJGLYNSG-OAHLLOKOSA-N 2 2 326.444 3.071 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000623903172 460768952 /nfs/dbraw/zinc/76/89/52/460768952.db2.gz ZUOXSIVTIGKIAJ-OAHLLOKOSA-N 2 2 345.512 3.259 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564856 460810695 /nfs/dbraw/zinc/81/06/95/460810695.db2.gz VDUNCBPLJLNOEY-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564856 460810700 /nfs/dbraw/zinc/81/07/00/460810700.db2.gz VDUNCBPLJLNOEY-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000624015026 460822382 /nfs/dbraw/zinc/82/23/82/460822382.db2.gz MHEXGULVWAZQQP-RDTXWAMCSA-N 2 2 338.854 3.309 20 0 EGADLP CC1(C)Cc2cccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)c2O1 ZINC000629657314 460850277 /nfs/dbraw/zinc/85/02/77/460850277.db2.gz WMUSEFCXSHRFDJ-CABCVRRESA-N 2 2 342.405 3.359 20 0 EGADLP CC1(C)Cc2cccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)c2O1 ZINC000629657314 460850284 /nfs/dbraw/zinc/85/02/84/460850284.db2.gz WMUSEFCXSHRFDJ-CABCVRRESA-N 2 2 342.405 3.359 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629657228 460850616 /nfs/dbraw/zinc/85/06/16/460850616.db2.gz VAIKRVQHORNQEB-OLZOCXBDSA-N 2 2 334.357 3.184 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629657228 460850619 /nfs/dbraw/zinc/85/06/19/460850619.db2.gz VAIKRVQHORNQEB-OLZOCXBDSA-N 2 2 334.357 3.184 20 0 EGADLP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086768 460853548 /nfs/dbraw/zinc/85/35/48/460853548.db2.gz VKOPYCLWQUYBEC-MDZRGWNJSA-N 2 2 331.504 3.191 20 0 EGADLP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086768 460853553 /nfs/dbraw/zinc/85/35/53/460853553.db2.gz VKOPYCLWQUYBEC-MDZRGWNJSA-N 2 2 331.504 3.191 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123448 460872779 /nfs/dbraw/zinc/87/27/79/460872779.db2.gz MASPYHVBNLZFAU-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123448 460872780 /nfs/dbraw/zinc/87/27/80/460872780.db2.gz MASPYHVBNLZFAU-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)cc2)c1C ZINC000635950872 460987244 /nfs/dbraw/zinc/98/72/44/460987244.db2.gz OYWWUCPPZVJINW-UHFFFAOYSA-N 2 2 338.455 3.304 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000621334351 460993384 /nfs/dbraw/zinc/99/33/84/460993384.db2.gz CBXNNGPTRJHQCW-APWZRJJASA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000621334351 460993387 /nfs/dbraw/zinc/99/33/87/460993387.db2.gz CBXNNGPTRJHQCW-APWZRJJASA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340438 460996621 /nfs/dbraw/zinc/99/66/21/460996621.db2.gz FBSBARFRZKITRV-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183224 461035083 /nfs/dbraw/zinc/03/50/83/461035083.db2.gz UPRISHQOYQVXLQ-UKRRQHHQSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183224 461035089 /nfs/dbraw/zinc/03/50/89/461035089.db2.gz UPRISHQOYQVXLQ-UKRRQHHQSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183224 461035092 /nfs/dbraw/zinc/03/50/92/461035092.db2.gz UPRISHQOYQVXLQ-UKRRQHHQSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183224 461035096 /nfs/dbraw/zinc/03/50/96/461035096.db2.gz UPRISHQOYQVXLQ-UKRRQHHQSA-N 2 2 340.309 3.457 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633287577 461035570 /nfs/dbraw/zinc/03/55/70/461035570.db2.gz ISJQJNCOTCSFAD-MRXNPFEDSA-N 2 2 347.507 3.014 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183225 461036691 /nfs/dbraw/zinc/03/66/91/461036691.db2.gz UPRISHQOYQVXLQ-ZFWWWQNUSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183225 461036697 /nfs/dbraw/zinc/03/66/97/461036697.db2.gz UPRISHQOYQVXLQ-ZFWWWQNUSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183225 461036703 /nfs/dbraw/zinc/03/67/03/461036703.db2.gz UPRISHQOYQVXLQ-ZFWWWQNUSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)C[C@@H]1C ZINC000628183225 461036706 /nfs/dbraw/zinc/03/67/06/461036706.db2.gz UPRISHQOYQVXLQ-ZFWWWQNUSA-N 2 2 340.309 3.457 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000636311442 461094663 /nfs/dbraw/zinc/09/46/63/461094663.db2.gz WEMPGXWUWYOVIV-SFHVURJKSA-N 2 2 346.519 3.337 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC000662245194 461140065 /nfs/dbraw/zinc/14/00/65/461140065.db2.gz ISWFKVOBCLVTRQ-NSHDSACASA-N 2 2 331.685 3.452 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC000662245194 461140077 /nfs/dbraw/zinc/14/00/77/461140077.db2.gz ISWFKVOBCLVTRQ-NSHDSACASA-N 2 2 331.685 3.452 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351377 461143904 /nfs/dbraw/zinc/14/39/04/461143904.db2.gz UBRPSEGGOSSPND-GLJUWKHASA-N 2 2 335.879 3.036 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351377 461143920 /nfs/dbraw/zinc/14/39/20/461143920.db2.gz UBRPSEGGOSSPND-GLJUWKHASA-N 2 2 335.879 3.036 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)ccc1F ZINC000652356004 461148896 /nfs/dbraw/zinc/14/88/96/461148896.db2.gz PSQSBRQTAUDZAR-WBMJQRKESA-N 2 2 332.423 3.133 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)ccc1F ZINC000652356004 461148902 /nfs/dbraw/zinc/14/89/02/461148902.db2.gz PSQSBRQTAUDZAR-WBMJQRKESA-N 2 2 332.423 3.133 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH+]1CCC(c3[nH]cc[nH+]3)CC1)CC2 ZINC000637984975 461174868 /nfs/dbraw/zinc/17/48/68/461174868.db2.gz CRWKOURQFATHSQ-MRXNPFEDSA-N 2 2 327.428 3.294 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000637988704 461176931 /nfs/dbraw/zinc/17/69/31/461176931.db2.gz ZARWCAZEDLPWCL-UHFFFAOYSA-N 2 2 335.835 3.460 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000638018006 461199956 /nfs/dbraw/zinc/19/99/56/461199956.db2.gz KZBUOTULMKDTKY-CQSZACIVSA-N 2 2 335.835 3.391 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000638018006 461199963 /nfs/dbraw/zinc/19/99/63/461199963.db2.gz KZBUOTULMKDTKY-CQSZACIVSA-N 2 2 335.835 3.391 20 0 EGADLP C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613849 461221992 /nfs/dbraw/zinc/22/19/92/461221992.db2.gz YHPRKEAXOYRZAB-WMZOPIPTSA-N 2 2 338.455 3.291 20 0 EGADLP C[C@@H](c1ccncc1)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613849 461221999 /nfs/dbraw/zinc/22/19/99/461221999.db2.gz YHPRKEAXOYRZAB-WMZOPIPTSA-N 2 2 338.455 3.291 20 0 EGADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668282665 461225387 /nfs/dbraw/zinc/22/53/87/461225387.db2.gz XWYVBGKRJVKOCA-RCCFBDPRSA-N 2 2 338.499 3.313 20 0 EGADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668282665 461225391 /nfs/dbraw/zinc/22/53/91/461225391.db2.gz XWYVBGKRJVKOCA-RCCFBDPRSA-N 2 2 338.499 3.313 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442508 461252285 /nfs/dbraw/zinc/25/22/85/461252285.db2.gz RYOSQHJSETYXRL-MGPUTAFESA-N 2 2 338.455 3.091 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638124195 461257563 /nfs/dbraw/zinc/25/75/63/461257563.db2.gz UIVKLZCVSLBVIB-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638124195 461257569 /nfs/dbraw/zinc/25/75/69/461257569.db2.gz UIVKLZCVSLBVIB-ZDUSSCGKSA-N 2 2 326.868 3.218 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1nc2ccccc2n1C(F)F ZINC000641704717 461328263 /nfs/dbraw/zinc/32/82/63/461328263.db2.gz KBVDEVBMRBQLDT-NSHDSACASA-N 2 2 331.370 3.425 20 0 EGADLP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000662694046 461349728 /nfs/dbraw/zinc/34/97/28/461349728.db2.gz WNFQNFNDDRQHDL-QGZVFWFLSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C[C@H](C)O1 ZINC000638320350 461366664 /nfs/dbraw/zinc/36/66/64/461366664.db2.gz ZRJDEWZSRDCOSL-KBPBESRZSA-N 2 2 349.425 3.102 20 0 EGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698038 461368904 /nfs/dbraw/zinc/36/89/04/461368904.db2.gz UXBAWUCDYYRFPK-WMZOPIPTSA-N 2 2 332.488 3.444 20 0 EGADLP Clc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655704465 461376399 /nfs/dbraw/zinc/37/63/99/461376399.db2.gz YTBSTUHPLYJYNJ-ZDUSSCGKSA-N 2 2 329.271 3.336 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000655715257 461385245 /nfs/dbraw/zinc/38/52/45/461385245.db2.gz IDBRJBMPNYFVQB-INMHGKMJSA-N 2 2 330.501 3.452 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000655715257 461385250 /nfs/dbraw/zinc/38/52/50/461385250.db2.gz IDBRJBMPNYFVQB-INMHGKMJSA-N 2 2 330.501 3.452 20 0 EGADLP Oc1ccc(C2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000668694036 461386021 /nfs/dbraw/zinc/38/60/21/461386021.db2.gz YJHPLFNVDRDWTF-NLPFYKDJSA-N 2 2 344.499 3.261 20 0 EGADLP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655758256 461424158 /nfs/dbraw/zinc/42/41/58/461424158.db2.gz UVNOWLYZGACJGB-SESVDKBCSA-N 2 2 328.500 3.241 20 0 EGADLP Fc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655764078 461429561 /nfs/dbraw/zinc/42/95/61/461429561.db2.gz CSGQMVXCTCLMPZ-AHRSYUTCSA-N 2 2 332.463 3.305 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000668793495 461438122 /nfs/dbraw/zinc/43/81/22/461438122.db2.gz DDMAGFIQIYZOLX-UHFFFAOYSA-N 2 2 340.402 3.141 20 0 EGADLP CC[NH+](CC)CC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000659843647 461450973 /nfs/dbraw/zinc/45/09/73/461450973.db2.gz XQEINHNOVHVRJE-UHFFFAOYSA-N 2 2 346.338 3.459 20 0 EGADLP Fc1cc(-c2ncco2)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000663105417 461459326 /nfs/dbraw/zinc/45/93/26/461459326.db2.gz RPPNYCCZSNOIPQ-UHFFFAOYSA-N 2 2 338.386 3.198 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(F)cc3)CC2)c1 ZINC000642197941 461468204 /nfs/dbraw/zinc/46/82/04/461468204.db2.gz HCKPYEPXQNQFGU-UHFFFAOYSA-N 2 2 341.474 3.436 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)c1 ZINC000653058373 461479418 /nfs/dbraw/zinc/47/94/18/461479418.db2.gz PMYRFXINKBXSHH-SFHVURJKSA-N 2 2 327.428 3.005 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000653059964 461481447 /nfs/dbraw/zinc/48/14/47/461481447.db2.gz SSXPNACFDQMMCD-QGZVFWFLSA-N 2 2 337.423 3.317 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(Cl)cc1O ZINC000638566703 461489091 /nfs/dbraw/zinc/48/90/91/461489091.db2.gz NPRJWALIRNFBSK-CYBMUJFWSA-N 2 2 326.868 3.264 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(Cl)cc1O ZINC000638566703 461489099 /nfs/dbraw/zinc/48/90/99/461489099.db2.gz NPRJWALIRNFBSK-CYBMUJFWSA-N 2 2 326.868 3.264 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Br)c1Cl ZINC000631040469 461493247 /nfs/dbraw/zinc/49/32/47/461493247.db2.gz JKDMPZZUAYXLMQ-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848232 461494956 /nfs/dbraw/zinc/49/49/56/461494956.db2.gz HQIIHEIMNMRXFF-JLSDUUJJSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848232 461494965 /nfs/dbraw/zinc/49/49/65/461494965.db2.gz HQIIHEIMNMRXFF-JLSDUUJJSA-N 2 2 333.451 3.149 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495238 /nfs/dbraw/zinc/49/52/38/461495238.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495245 /nfs/dbraw/zinc/49/52/45/461495245.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495252 /nfs/dbraw/zinc/49/52/52/461495252.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587425 461495258 /nfs/dbraw/zinc/49/52/58/461495258.db2.gz CKXMLQISTJQCFT-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849426 461497011 /nfs/dbraw/zinc/49/70/11/461497011.db2.gz OSCJLJAVHTYMJI-NEWSRXKRSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849426 461497017 /nfs/dbraw/zinc/49/70/17/461497017.db2.gz OSCJLJAVHTYMJI-NEWSRXKRSA-N 2 2 329.488 3.035 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000655850299 461498586 /nfs/dbraw/zinc/49/85/86/461498586.db2.gz UIDNJOOBWNJXSO-FCHUYYIVSA-N 2 2 341.543 3.300 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000653092772 461498692 /nfs/dbraw/zinc/49/86/92/461498692.db2.gz KYMUIJHENHPXTA-IAGOWNOFSA-N 2 2 337.895 3.063 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929849 461500584 /nfs/dbraw/zinc/50/05/84/461500584.db2.gz WRRLKYSEXGMXEU-LCWAXJCOSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929849 461500590 /nfs/dbraw/zinc/50/05/90/461500590.db2.gz WRRLKYSEXGMXEU-LCWAXJCOSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929849 461500600 /nfs/dbraw/zinc/50/06/00/461500600.db2.gz WRRLKYSEXGMXEU-LCWAXJCOSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000659929849 461500606 /nfs/dbraw/zinc/50/06/06/461500606.db2.gz WRRLKYSEXGMXEU-LCWAXJCOSA-N 2 2 347.547 3.020 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855032 461502398 /nfs/dbraw/zinc/50/23/98/461502398.db2.gz ALRLMBQXOWKACN-HBMCJLEFSA-N 2 2 344.499 3.351 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855032 461502403 /nfs/dbraw/zinc/50/24/03/461502403.db2.gz ALRLMBQXOWKACN-HBMCJLEFSA-N 2 2 344.499 3.351 20 0 EGADLP Clc1cccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000659955005 461513434 /nfs/dbraw/zinc/51/34/34/461513434.db2.gz GQBNCTNYYQFDLB-HNNXBMFYSA-N 2 2 340.920 3.086 20 0 EGADLP Clc1cccc(SCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000659955005 461513445 /nfs/dbraw/zinc/51/34/45/461513445.db2.gz GQBNCTNYYQFDLB-HNNXBMFYSA-N 2 2 340.920 3.086 20 0 EGADLP CC[C@](C)(C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)OC ZINC000638639597 461514630 /nfs/dbraw/zinc/51/46/30/461514630.db2.gz LQENFRQDDHEZQU-IEBWSBKVSA-N 2 2 334.504 3.291 20 0 EGADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992475 461533375 /nfs/dbraw/zinc/53/33/75/461533375.db2.gz ITZBAVWYUICKJR-WBVHZDCISA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992475 461533379 /nfs/dbraw/zinc/53/33/79/461533379.db2.gz ITZBAVWYUICKJR-WBVHZDCISA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992475 461533386 /nfs/dbraw/zinc/53/33/86/461533386.db2.gz ITZBAVWYUICKJR-WBVHZDCISA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992475 461533392 /nfs/dbraw/zinc/53/33/92/461533392.db2.gz ITZBAVWYUICKJR-WBVHZDCISA-N 2 2 329.444 3.168 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659998608 461537505 /nfs/dbraw/zinc/53/75/05/461537505.db2.gz IXRQUURRNRKAAU-MRXNPFEDSA-N 2 2 342.468 3.092 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)o1 ZINC000647220328 461569233 /nfs/dbraw/zinc/56/92/33/461569233.db2.gz XSWDUDHBVMYTPZ-UHFFFAOYSA-N 2 2 326.400 3.330 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000660112296 461585748 /nfs/dbraw/zinc/58/57/48/461585748.db2.gz JOKHCUQDQFNHME-SQNIBIBYSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000660112296 461585759 /nfs/dbraw/zinc/58/57/59/461585759.db2.gz JOKHCUQDQFNHME-SQNIBIBYSA-N 2 2 346.519 3.051 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000638823510 461600394 /nfs/dbraw/zinc/60/03/94/461600394.db2.gz UGYVAEWONRDUCI-LESCRADOSA-N 2 2 339.487 3.386 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000638823510 461600403 /nfs/dbraw/zinc/60/04/03/461600403.db2.gz UGYVAEWONRDUCI-LESCRADOSA-N 2 2 339.487 3.386 20 0 EGADLP c1ccc2cc(N3CC[C@H](OCC[NH+]4CCCCC4)C3)[nH+]cc2c1 ZINC000631173720 461614259 /nfs/dbraw/zinc/61/42/59/461614259.db2.gz QWWZVHGWOVOERQ-IBGZPJMESA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000647305379 461624962 /nfs/dbraw/zinc/62/49/62/461624962.db2.gz ISVGSDYOIUXNFZ-UYAOXDASSA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000647305379 461624970 /nfs/dbraw/zinc/62/49/70/461624970.db2.gz ISVGSDYOIUXNFZ-UYAOXDASSA-N 2 2 334.504 3.219 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000656198505 461644620 /nfs/dbraw/zinc/64/46/20/461644620.db2.gz AOSOUTAEVYHQHY-LUKYLMHMSA-N 2 2 347.507 3.089 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647363956 461658437 /nfs/dbraw/zinc/65/84/37/461658437.db2.gz OULMHIVQNHWEJG-OAHLLOKOSA-N 2 2 336.439 3.494 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)cn21 ZINC000647365081 461659289 /nfs/dbraw/zinc/65/92/89/461659289.db2.gz YWNADAUDCMKTOK-INIZCTEOSA-N 2 2 346.438 3.117 20 0 EGADLP C[NH+](C)CCN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C1CCCCC1 ZINC000631231518 461660606 /nfs/dbraw/zinc/66/06/06/461660606.db2.gz PVTMIAUWVPQULV-UHFFFAOYSA-N 2 2 340.471 3.413 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656253354 461675530 /nfs/dbraw/zinc/67/55/30/461675530.db2.gz KJVNUAPWIZNWDY-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656253354 461675537 /nfs/dbraw/zinc/67/55/37/461675537.db2.gz KJVNUAPWIZNWDY-KRWDZBQOSA-N 2 2 344.478 3.484 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000663508492 461677509 /nfs/dbraw/zinc/67/75/09/461677509.db2.gz BBYPWRGCENFSSL-AWEZNQCLSA-N 2 2 332.419 3.111 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076824 461709867 /nfs/dbraw/zinc/70/98/67/461709867.db2.gz RHSVBOCQAJTBPM-RHSMWYFYSA-N 2 2 339.487 3.485 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000656416973 461737515 /nfs/dbraw/zinc/73/75/15/461737515.db2.gz GCYWBMOMKMARRR-NXEZZACHSA-N 2 2 329.288 3.025 20 0 EGADLP Cc1ccc2[nH+]c(Cn3cc(C[N@@H+](C)C4CCCCC4)nn3)cn2c1 ZINC000656447510 461747205 /nfs/dbraw/zinc/74/72/05/461747205.db2.gz BPVBPCIQQGUVNE-UHFFFAOYSA-N 2 2 338.459 3.047 20 0 EGADLP Cc1ccc2[nH+]c(Cn3cc(C[N@H+](C)C4CCCCC4)nn3)cn2c1 ZINC000656447510 461747210 /nfs/dbraw/zinc/74/72/10/461747210.db2.gz BPVBPCIQQGUVNE-UHFFFAOYSA-N 2 2 338.459 3.047 20 0 EGADLP COc1ccc(C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccc(OC)cc2)cc1 ZINC000643506949 461748765 /nfs/dbraw/zinc/74/87/65/461748765.db2.gz NNFIQPXPRWDNDB-OAQYLSRUSA-N 2 2 340.467 3.329 20 0 EGADLP CC(C)[NH+](CCCNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)C(C)C ZINC000663679588 461750469 /nfs/dbraw/zinc/75/04/69/461750469.db2.gz ZDYBLFGYFTZJFV-UHFFFAOYSA-N 2 2 347.511 3.084 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647537089 461751483 /nfs/dbraw/zinc/75/14/83/461751483.db2.gz UVSBVEMAALWOAU-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647537089 461751490 /nfs/dbraw/zinc/75/14/90/461751490.db2.gz UVSBVEMAALWOAU-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@H](OC)[C@H]3CCOC3)ccc2n1C1CC1 ZINC000639143694 461761305 /nfs/dbraw/zinc/76/13/05/461761305.db2.gz ZDWJZGZIFKXDNV-KXBFYZLASA-N 2 2 343.471 3.075 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769657 461795226 /nfs/dbraw/zinc/79/52/26/461795226.db2.gz AFWBEPSRBIETGO-GOSISDBHSA-N 2 2 346.906 3.433 20 0 EGADLP CC[C@@H](OCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472559 461798178 /nfs/dbraw/zinc/79/81/78/461798178.db2.gz GUALLHZDRKZNBL-LEWJYISDSA-N 2 2 346.515 3.341 20 0 EGADLP CC[C@@H](OCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472559 461798186 /nfs/dbraw/zinc/79/81/86/461798186.db2.gz GUALLHZDRKZNBL-LEWJYISDSA-N 2 2 346.515 3.341 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc(C)n1 ZINC000660484852 461806165 /nfs/dbraw/zinc/80/61/65/461806165.db2.gz CUCOBCKGHHIHOC-FQEVSTJZSA-N 2 2 338.499 3.484 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc(C)n1 ZINC000660484852 461806176 /nfs/dbraw/zinc/80/61/76/461806176.db2.gz CUCOBCKGHHIHOC-FQEVSTJZSA-N 2 2 338.499 3.484 20 0 EGADLP CC[C@H](OCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000653690391 461809838 /nfs/dbraw/zinc/80/98/38/461809838.db2.gz SYSHUGOEZIJILK-RXVVDRJESA-N 2 2 346.515 3.339 20 0 EGADLP CC[C@H](OCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccccc1 ZINC000653690391 461809840 /nfs/dbraw/zinc/80/98/40/461809840.db2.gz SYSHUGOEZIJILK-RXVVDRJESA-N 2 2 346.515 3.339 20 0 EGADLP c1ccc(C2=CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nc1 ZINC000653702005 461815011 /nfs/dbraw/zinc/81/50/11/461815011.db2.gz MWDCXIOFWKBRDR-UHFFFAOYSA-N 2 2 349.478 3.203 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@H+](C)[C@H](C(C)C)C3)c2cc1OC ZINC000663841948 461832101 /nfs/dbraw/zinc/83/21/01/461832101.db2.gz UFNVFGVEZYQOFN-INIZCTEOSA-N 2 2 329.444 3.028 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@@H+](C)[C@H](C(C)C)C3)c2cc1OC ZINC000663841948 461832104 /nfs/dbraw/zinc/83/21/04/461832104.db2.gz UFNVFGVEZYQOFN-INIZCTEOSA-N 2 2 329.444 3.028 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccc2n1C1CC1 ZINC000647796962 461839695 /nfs/dbraw/zinc/83/96/95/461839695.db2.gz SFFWGXLERZHSRU-YESZJQIVSA-N 3 2 338.499 3.411 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc2)c1 ZINC000647847237 461858221 /nfs/dbraw/zinc/85/82/21/461858221.db2.gz IOGHHJHSXZXCRD-UHFFFAOYSA-N 2 2 327.428 3.006 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc2)c1 ZINC000647847237 461858228 /nfs/dbraw/zinc/85/82/28/461858228.db2.gz IOGHHJHSXZXCRD-UHFFFAOYSA-N 2 2 327.428 3.006 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879869 461869016 /nfs/dbraw/zinc/86/90/16/461869016.db2.gz PYGGYPWQWFYNJO-NHYWBVRUSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647879869 461869021 /nfs/dbraw/zinc/86/90/21/461869021.db2.gz PYGGYPWQWFYNJO-NHYWBVRUSA-N 2 2 342.270 3.006 20 0 EGADLP COCc1csc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000656770669 461882915 /nfs/dbraw/zinc/88/29/15/461882915.db2.gz LJVFRBRHRDPATN-MRXNPFEDSA-N 2 2 346.500 3.042 20 0 EGADLP COCc1csc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000656770668 461883626 /nfs/dbraw/zinc/88/36/26/461883626.db2.gz LJVFRBRHRDPATN-INIZCTEOSA-N 2 2 346.500 3.042 20 0 EGADLP Fc1ccc(C(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccc(F)cc2)cc1 ZINC000666947665 461884364 /nfs/dbraw/zinc/88/43/64/461884364.db2.gz FTYCZHZBZLHTSK-ROUUACIJSA-N 2 2 334.385 3.386 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925635 461889579 /nfs/dbraw/zinc/88/95/79/461889579.db2.gz QVJBSZWQNHTXRX-JTQLQIEISA-N 2 2 330.259 3.134 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939808 461896487 /nfs/dbraw/zinc/89/64/87/461896487.db2.gz BQACWSGLNZEHCI-APWZRJJASA-N 2 2 339.483 3.252 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939808 461896493 /nfs/dbraw/zinc/89/64/93/461896493.db2.gz BQACWSGLNZEHCI-APWZRJJASA-N 2 2 339.483 3.252 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647939057 461896505 /nfs/dbraw/zinc/89/65/05/461896505.db2.gz ZRTVCPTWMLGFKD-WBAXXEDZSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647939057 461896512 /nfs/dbraw/zinc/89/65/12/461896512.db2.gz ZRTVCPTWMLGFKD-WBAXXEDZSA-N 2 2 331.504 3.198 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647939850 461896873 /nfs/dbraw/zinc/89/68/73/461896873.db2.gz CODBZVCSRRQJEQ-ZOWXZIJZSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000647939850 461896880 /nfs/dbraw/zinc/89/68/80/461896880.db2.gz CODBZVCSRRQJEQ-ZOWXZIJZSA-N 2 2 343.393 3.092 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc(OC)c1 ZINC000656790404 461899145 /nfs/dbraw/zinc/89/91/45/461899145.db2.gz QCODCJOCWCZDEM-WOJBJXKFSA-N 2 2 344.430 3.078 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710900 461905380 /nfs/dbraw/zinc/90/53/80/461905380.db2.gz CGFBOCDQBYMHLT-TZMCWYRMSA-N 2 2 335.521 3.172 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710900 461905384 /nfs/dbraw/zinc/90/53/84/461905384.db2.gz CGFBOCDQBYMHLT-TZMCWYRMSA-N 2 2 335.521 3.172 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654853 461905876 /nfs/dbraw/zinc/90/58/76/461905876.db2.gz IJROGBNYFTVERJ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654853 461905880 /nfs/dbraw/zinc/90/58/80/461905880.db2.gz IJROGBNYFTVERJ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654853 461905884 /nfs/dbraw/zinc/90/58/84/461905884.db2.gz IJROGBNYFTVERJ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654853 461905885 /nfs/dbraw/zinc/90/58/85/461905885.db2.gz IJROGBNYFTVERJ-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655258 461905934 /nfs/dbraw/zinc/90/59/34/461905934.db2.gz LLKGPVKDCLJEPV-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655258 461905939 /nfs/dbraw/zinc/90/59/39/461905939.db2.gz LLKGPVKDCLJEPV-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655258 461905944 /nfs/dbraw/zinc/90/59/44/461905944.db2.gz LLKGPVKDCLJEPV-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655258 461905945 /nfs/dbraw/zinc/90/59/45/461905945.db2.gz LLKGPVKDCLJEPV-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657166 461907297 /nfs/dbraw/zinc/90/72/97/461907297.db2.gz WFAKSUDLGWZZGM-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657166 461907301 /nfs/dbraw/zinc/90/73/01/461907301.db2.gz WFAKSUDLGWZZGM-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657166 461907303 /nfs/dbraw/zinc/90/73/03/461907303.db2.gz WFAKSUDLGWZZGM-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657166 461907307 /nfs/dbraw/zinc/90/73/07/461907307.db2.gz WFAKSUDLGWZZGM-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657561 461908566 /nfs/dbraw/zinc/90/85/66/461908566.db2.gz YCMPVLWEFNFXIY-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657561 461908568 /nfs/dbraw/zinc/90/85/68/461908568.db2.gz YCMPVLWEFNFXIY-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660657561 461908572 /nfs/dbraw/zinc/90/85/72/461908572.db2.gz YCMPVLWEFNFXIY-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000660657561 461908575 /nfs/dbraw/zinc/90/85/75/461908575.db2.gz YCMPVLWEFNFXIY-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)co2)c1 ZINC000639513140 461963909 /nfs/dbraw/zinc/96/39/09/461963909.db2.gz GHBCTMOPGQUAGL-UHFFFAOYSA-N 2 2 338.411 3.453 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)Nc1cccnc1)c1ccccc1 ZINC000644546139 461979149 /nfs/dbraw/zinc/97/91/49/461979149.db2.gz VJPKBPYUEFZODO-INIZCTEOSA-N 2 2 340.471 3.129 20 0 EGADLP CC[NH+](CC)[C@@H](CNCc1c[nH+]c2n1CCC2)c1cccc(OC)c1 ZINC000657298169 462026679 /nfs/dbraw/zinc/02/66/79/462026679.db2.gz UBLGCSFVDRFFEK-IBGZPJMESA-N 2 2 342.487 3.011 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCC3CC(F)(F)C3)c2cc1C ZINC000644666737 462030026 /nfs/dbraw/zinc/03/00/26/462030026.db2.gz UINFDJONPCMDCA-HNNXBMFYSA-N 2 2 337.414 3.039 20 0 EGADLP FC(F)(F)c1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657322927 462045260 /nfs/dbraw/zinc/04/52/60/462045260.db2.gz JPVODUYYBFWRMV-UHFFFAOYSA-N 2 2 325.334 3.017 20 0 EGADLP Clc1ccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CCOCC2)cc1 ZINC000657328289 462049533 /nfs/dbraw/zinc/04/95/33/462049533.db2.gz VPYUPYAJELICLL-UHFFFAOYSA-N 2 2 345.874 3.321 20 0 EGADLP Cc1cc(Br)cc(C)c1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657337210 462056098 /nfs/dbraw/zinc/05/60/98/462056098.db2.gz MPUIOJMHWWZTQG-UHFFFAOYSA-N 2 2 334.261 3.498 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657343844 462061462 /nfs/dbraw/zinc/06/14/62/462061462.db2.gz WRTMNDGVPZMOAE-UHFFFAOYSA-N 2 2 346.393 3.018 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)[C@@H]1c1cccs1 ZINC000657374159 462078820 /nfs/dbraw/zinc/07/88/20/462078820.db2.gz FWQSGEOFDMWEFL-RDTXWAMCSA-N 2 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)[C@@H]1c1cccs1 ZINC000657374159 462078825 /nfs/dbraw/zinc/07/88/25/462078825.db2.gz FWQSGEOFDMWEFL-RDTXWAMCSA-N 2 2 330.501 3.064 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1cccs1 ZINC000657374159 462078829 /nfs/dbraw/zinc/07/88/29/462078829.db2.gz FWQSGEOFDMWEFL-RDTXWAMCSA-N 3 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1cccs1 ZINC000657374159 462078834 /nfs/dbraw/zinc/07/88/34/462078834.db2.gz FWQSGEOFDMWEFL-RDTXWAMCSA-N 3 2 330.501 3.064 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccc(F)cc2)n1 ZINC000648366938 462081738 /nfs/dbraw/zinc/08/17/38/462081738.db2.gz SOLVWZPHFFZZKX-SFHVURJKSA-N 2 2 339.418 3.260 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccc(F)cc2)n1 ZINC000648366938 462081743 /nfs/dbraw/zinc/08/17/43/462081743.db2.gz SOLVWZPHFFZZKX-SFHVURJKSA-N 2 2 339.418 3.260 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422543 462113299 /nfs/dbraw/zinc/11/32/99/462113299.db2.gz WXSAZSUPQXDDSI-SUMWQHHRSA-N 2 2 336.842 3.293 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422543 462113305 /nfs/dbraw/zinc/11/33/05/462113305.db2.gz WXSAZSUPQXDDSI-SUMWQHHRSA-N 2 2 336.842 3.293 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1C ZINC000644900968 462124163 /nfs/dbraw/zinc/12/41/63/462124163.db2.gz WRVMMTTZNOVUNU-MRXNPFEDSA-N 2 2 337.471 3.347 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1C ZINC000644900968 462124164 /nfs/dbraw/zinc/12/41/64/462124164.db2.gz WRVMMTTZNOVUNU-MRXNPFEDSA-N 2 2 337.471 3.347 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648452358 462124587 /nfs/dbraw/zinc/12/45/87/462124587.db2.gz YQGXZWQDDRTRIB-FQEVSTJZSA-N 2 2 346.515 3.454 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)n1C ZINC000667530680 462127364 /nfs/dbraw/zinc/12/73/64/462127364.db2.gz HBCSJOMLTRYSHK-JKSUJKDBSA-N 2 2 340.254 3.125 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)n1C ZINC000667530680 462127367 /nfs/dbraw/zinc/12/73/67/462127367.db2.gz HBCSJOMLTRYSHK-JKSUJKDBSA-N 2 2 340.254 3.125 20 0 EGADLP COc1cccc(C[N@H+](Cc2c[nH+]c(C)n2C)C2CCC(O)CC2)c1 ZINC000667585765 462159294 /nfs/dbraw/zinc/15/92/94/462159294.db2.gz ARLZCRQOVXKNIH-UHFFFAOYSA-N 2 2 343.471 3.043 20 0 EGADLP COc1cccc(C[N@@H+](Cc2c[nH+]c(C)n2C)C2CCC(O)CC2)c1 ZINC000667585765 462159299 /nfs/dbraw/zinc/15/92/99/462159299.db2.gz ARLZCRQOVXKNIH-UHFFFAOYSA-N 2 2 343.471 3.043 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000667700073 462220831 /nfs/dbraw/zinc/22/08/31/462220831.db2.gz QRORTTWNCQNJBR-UXPWSPDFSA-N 2 2 341.455 3.134 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000667700073 462220836 /nfs/dbraw/zinc/22/08/36/462220836.db2.gz QRORTTWNCQNJBR-UXPWSPDFSA-N 2 2 341.455 3.134 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667734971 462238826 /nfs/dbraw/zinc/23/88/26/462238826.db2.gz CXRPIUZJDIOJKS-INIZCTEOSA-N 2 2 327.432 3.121 20 0 EGADLP Clc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000657751164 462251809 /nfs/dbraw/zinc/25/18/09/462251809.db2.gz JCKJSSPEQRLYOJ-AWEZNQCLSA-N 2 2 329.271 3.336 20 0 EGADLP Clc1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657751966 462252447 /nfs/dbraw/zinc/25/24/47/462252447.db2.gz WXWVYGVXGLDAQF-INIZCTEOSA-N 2 2 329.271 3.336 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648779964 462275077 /nfs/dbraw/zinc/27/50/77/462275077.db2.gz OUQZAXVLNZWXBC-AZUAARDMSA-N 2 2 349.563 3.386 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648779964 462275082 /nfs/dbraw/zinc/27/50/82/462275082.db2.gz OUQZAXVLNZWXBC-AZUAARDMSA-N 2 2 349.563 3.386 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cncc(Br)c1 ZINC000658006955 462345067 /nfs/dbraw/zinc/34/50/67/462345067.db2.gz MJRNEOHGSANLEZ-LLVKDONJSA-N 2 2 335.249 3.228 20 0 EGADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000645501815 462351899 /nfs/dbraw/zinc/35/18/99/462351899.db2.gz OUVIILUPGWHESI-RBUKOAKNSA-N 2 2 344.524 3.078 20 0 EGADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000645501815 462351903 /nfs/dbraw/zinc/35/19/03/462351903.db2.gz OUVIILUPGWHESI-RBUKOAKNSA-N 2 2 344.524 3.078 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248032 462367028 /nfs/dbraw/zinc/36/70/28/462367028.db2.gz NTMCGROYDKCQGU-SLFFLAALSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248032 462367031 /nfs/dbraw/zinc/36/70/31/462367031.db2.gz NTMCGROYDKCQGU-SLFFLAALSA-N 3 2 327.516 3.148 20 0 EGADLP CCCC[C@@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253251 462370731 /nfs/dbraw/zinc/37/07/31/462370731.db2.gz LPJWPQPAJMNVSO-HDMKZQKVSA-N 2 2 326.431 3.205 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000654758562 462375144 /nfs/dbraw/zinc/37/51/44/462375144.db2.gz GEHWMFVUUXLCSF-MSOLQXFVSA-N 2 2 349.906 3.030 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290026 462387785 /nfs/dbraw/zinc/38/77/85/462387785.db2.gz GBRMBLVVAJEPHF-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290026 462387790 /nfs/dbraw/zinc/38/77/90/462387790.db2.gz GBRMBLVVAJEPHF-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290026 462387793 /nfs/dbraw/zinc/38/77/93/462387793.db2.gz GBRMBLVVAJEPHF-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@H](C4CCC4)C3)C2)cc1 ZINC000665290026 462387796 /nfs/dbraw/zinc/38/77/96/462387796.db2.gz GBRMBLVVAJEPHF-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141665 462448795 /nfs/dbraw/zinc/44/87/95/462448795.db2.gz WNTNDPQQMLQUCC-UZLBHIALSA-N 2 2 325.456 3.111 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141665 462448798 /nfs/dbraw/zinc/44/87/98/462448798.db2.gz WNTNDPQQMLQUCC-UZLBHIALSA-N 2 2 325.456 3.111 20 0 EGADLP CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OC)cc1 ZINC000658292219 462460625 /nfs/dbraw/zinc/46/06/25/462460625.db2.gz ROWVORZVVJGGFT-UYAOXDASSA-N 2 2 332.488 3.379 20 0 EGADLP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000658294773 462461623 /nfs/dbraw/zinc/46/16/23/462461623.db2.gz PLBFJVMFHRBIFT-BBRMVZONSA-N 2 2 338.492 3.452 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658304737 462468065 /nfs/dbraw/zinc/46/80/65/462468065.db2.gz WEZUIIAHFSPADC-HOTGVXAUSA-N 2 2 340.471 3.170 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)Cn1cc[nH+]c1 ZINC000178054378 534054107 /nfs/dbraw/zinc/05/41/07/534054107.db2.gz IVMSEPFQEONZQT-INIZCTEOSA-N 2 2 346.906 3.427 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)Cn1cc[nH+]c1 ZINC000178054378 534054113 /nfs/dbraw/zinc/05/41/13/534054113.db2.gz IVMSEPFQEONZQT-INIZCTEOSA-N 3 2 346.906 3.427 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187563069 526701410 /nfs/dbraw/zinc/70/14/10/526701410.db2.gz BMPJUBYWRIYTHG-CBNMVNINSA-N 2 2 345.531 3.180 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187563069 526701412 /nfs/dbraw/zinc/70/14/12/526701412.db2.gz BMPJUBYWRIYTHG-CBNMVNINSA-N 2 2 345.531 3.180 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153703490 527881990 /nfs/dbraw/zinc/88/19/90/527881990.db2.gz QSOBNYMEHQYODC-KDOFPFPSSA-N 3 2 330.451 3.140 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H](C)C1 ZINC000153703490 527881995 /nfs/dbraw/zinc/88/19/95/527881995.db2.gz QSOBNYMEHQYODC-KDOFPFPSSA-N 3 2 330.451 3.140 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174223539 528185974 /nfs/dbraw/zinc/18/59/74/528185974.db2.gz KLYZYQAFUXJWAW-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174223539 528185977 /nfs/dbraw/zinc/18/59/77/528185977.db2.gz KLYZYQAFUXJWAW-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+]C3CC[NH+](C)CC3)ccn2)cc1 ZINC000177231712 528572935 /nfs/dbraw/zinc/57/29/35/528572935.db2.gz SQHPAYGEXBEADO-UHFFFAOYSA-N 2 2 341.455 3.456 20 0 EGADLP CC[N@@H+](Cc1c(C)n[nH]c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129248555 528756454 /nfs/dbraw/zinc/75/64/54/528756454.db2.gz PWNUNYPFVCTKCS-UHFFFAOYSA-N 2 2 327.476 3.160 20 0 EGADLP CC[N@H+](Cc1c(C)n[nH]c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000129248555 528756460 /nfs/dbraw/zinc/75/64/60/528756460.db2.gz PWNUNYPFVCTKCS-UHFFFAOYSA-N 2 2 327.476 3.160 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)CC(C)C ZINC000106525505 535655648 /nfs/dbraw/zinc/65/56/48/535655648.db2.gz PUIKDCACVSKLEO-IAGOWNOFSA-N 2 2 349.523 3.403 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000246943846 535666185 /nfs/dbraw/zinc/66/61/85/535666185.db2.gz UGFKCIIGVYJITB-PXNSSMCTSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000246943846 535666191 /nfs/dbraw/zinc/66/61/91/535666191.db2.gz UGFKCIIGVYJITB-PXNSSMCTSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000246943846 535666194 /nfs/dbraw/zinc/66/61/94/535666194.db2.gz UGFKCIIGVYJITB-PXNSSMCTSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000246943846 535666198 /nfs/dbraw/zinc/66/61/98/535666198.db2.gz UGFKCIIGVYJITB-PXNSSMCTSA-N 2 2 347.547 3.116 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)c1 ZINC000183937900 537117231 /nfs/dbraw/zinc/11/72/31/537117231.db2.gz LNNJQTSWCBDAMQ-UHFFFAOYSA-N 2 2 333.382 3.350 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)c1 ZINC000154872496 546896445 /nfs/dbraw/zinc/89/64/45/546896445.db2.gz LSXVXJJFVZIJAZ-LAUBAEHRSA-N 3 2 345.531 3.152 20 0 EGADLP CCc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000277122267 547358039 /nfs/dbraw/zinc/35/80/39/547358039.db2.gz ZAJWQVGWMCXDSS-KRWDZBQOSA-N 2 2 345.512 3.086 20 0 EGADLP CCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000277122267 547358045 /nfs/dbraw/zinc/35/80/45/547358045.db2.gz ZAJWQVGWMCXDSS-KRWDZBQOSA-N 2 2 345.512 3.086 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3ncc[nH]3)[nH+]c12 ZINC000286356651 547393894 /nfs/dbraw/zinc/39/38/94/547393894.db2.gz ZMFQOXVKEHCGRW-NSHDSACASA-N 2 2 348.248 3.022 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000305124927 547451124 /nfs/dbraw/zinc/45/11/24/547451124.db2.gz KYFPKRXKOKNFGA-INIZCTEOSA-N 2 2 340.920 3.313 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000305124930 547451271 /nfs/dbraw/zinc/45/12/71/547451271.db2.gz KYFPKRXKOKNFGA-MRXNPFEDSA-N 2 2 340.920 3.313 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000353514527 547694949 /nfs/dbraw/zinc/69/49/49/547694949.db2.gz HFWANWTYTOZVMA-CQSZACIVSA-N 2 2 341.381 3.041 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000353514527 547694953 /nfs/dbraw/zinc/69/49/53/547694953.db2.gz HFWANWTYTOZVMA-CQSZACIVSA-N 2 2 341.381 3.041 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000359007612 547748936 /nfs/dbraw/zinc/74/89/36/547748936.db2.gz UWOSHOHSOCSSRF-FUHWJXTLSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000359007612 547748939 /nfs/dbraw/zinc/74/89/39/547748939.db2.gz UWOSHOHSOCSSRF-FUHWJXTLSA-N 2 2 330.472 3.298 20 0 EGADLP C[C@](CO)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000361735359 547765820 /nfs/dbraw/zinc/76/58/20/547765820.db2.gz ITUFIWRKJMORTM-OAQYLSRUSA-N 2 2 335.451 3.203 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(F)cc1Br)C2 ZINC000388652368 547825550 /nfs/dbraw/zinc/82/55/50/547825550.db2.gz ZQVNIOYVDPJGEW-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(F)cc1Br)C2 ZINC000388652368 547825556 /nfs/dbraw/zinc/82/55/56/547825556.db2.gz ZQVNIOYVDPJGEW-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000443675341 547921518 /nfs/dbraw/zinc/92/15/18/547921518.db2.gz OWPQMSNOLVTHNA-LBPRGKRZSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2[nH]c(=O)oc2c1 ZINC000671745764 548350944 /nfs/dbraw/zinc/35/09/44/548350944.db2.gz ZKNANCRQLLVYIP-CYBMUJFWSA-N 2 2 326.400 3.471 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@H](CO)c3ccc(Cl)cc3)c[nH+]c12 ZINC000673618285 548583514 /nfs/dbraw/zinc/58/35/14/548583514.db2.gz XWBJWQYVDHBFQB-HNNXBMFYSA-N 2 2 329.831 3.162 20 0 EGADLP CC(C)c1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000677743674 549325273 /nfs/dbraw/zinc/32/52/73/549325273.db2.gz WXMWKOLDCQFSOH-KRWDZBQOSA-N 2 2 346.519 3.415 20 0 EGADLP CC(C)c1cc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000677743674 549325275 /nfs/dbraw/zinc/32/52/75/549325275.db2.gz WXMWKOLDCQFSOH-KRWDZBQOSA-N 2 2 346.519 3.415 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000678080874 549393294 /nfs/dbraw/zinc/39/32/94/549393294.db2.gz PCRPILFAXOXSRN-HNAYVOBHSA-N 2 2 339.418 3.291 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000678080874 549393298 /nfs/dbraw/zinc/39/32/98/549393298.db2.gz PCRPILFAXOXSRN-HNAYVOBHSA-N 2 2 339.418 3.291 20 0 EGADLP CCc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000678407510 549485148 /nfs/dbraw/zinc/48/51/48/549485148.db2.gz BGZZQVOAAMTKEI-UHFFFAOYSA-N 2 2 325.460 3.177 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCc2ccc(CO)cc2)C[N@@H+]1Cc1ccccc1 ZINC000678968461 549605892 /nfs/dbraw/zinc/60/58/92/549605892.db2.gz BPMDDIPAIFKUCO-OAQYLSRUSA-N 2 2 338.495 3.364 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCc2ccc(CO)cc2)C[N@H+]1Cc1ccccc1 ZINC000678968461 549605896 /nfs/dbraw/zinc/60/58/96/549605896.db2.gz BPMDDIPAIFKUCO-OAQYLSRUSA-N 2 2 338.495 3.364 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)c2ccccc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721230 549767992 /nfs/dbraw/zinc/76/79/92/549767992.db2.gz IMDJRYXGBDTQFP-JKSUJKDBSA-N 2 2 326.488 3.316 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)c2ccccc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721230 549767994 /nfs/dbraw/zinc/76/79/94/549767994.db2.gz IMDJRYXGBDTQFP-JKSUJKDBSA-N 2 2 326.488 3.316 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000680257135 549839193 /nfs/dbraw/zinc/83/91/93/549839193.db2.gz CNZWUIBZDRHTMS-UHFFFAOYSA-N 2 2 338.411 3.208 20 0 EGADLP CC1(C)OCc2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000681110843 549955892 /nfs/dbraw/zinc/95/58/92/549955892.db2.gz ORQDUZJELQEPKG-KRWDZBQOSA-N 2 2 327.428 3.365 20 0 EGADLP CC1(C)OCc2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000681110843 549955893 /nfs/dbraw/zinc/95/58/93/549955893.db2.gz ORQDUZJELQEPKG-KRWDZBQOSA-N 2 2 327.428 3.365 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)CC2CCC(c3ccccc3)CC2)CC1 ZINC000682028252 550063327 /nfs/dbraw/zinc/06/33/27/550063327.db2.gz AXKXJHNUUADLGU-UHFFFAOYSA-N 2 2 330.516 3.349 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)CC2CCC(c3ccccc3)CC2)CC1 ZINC000682028252 550063331 /nfs/dbraw/zinc/06/33/31/550063331.db2.gz AXKXJHNUUADLGU-UHFFFAOYSA-N 2 2 330.516 3.349 20 0 EGADLP C[NH+](C)CCOc1ccc(CNc2[nH+]cccc2OC(F)F)cc1 ZINC000682527651 550111314 /nfs/dbraw/zinc/11/13/14/550111314.db2.gz SMEUIGIDQRXLGE-UHFFFAOYSA-N 2 2 337.370 3.236 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643841 550125632 /nfs/dbraw/zinc/12/56/32/550125632.db2.gz QXLGDXLUGFXDJG-UXHICEINSA-N 2 2 340.515 3.414 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643841 550125635 /nfs/dbraw/zinc/12/56/35/550125635.db2.gz QXLGDXLUGFXDJG-UXHICEINSA-N 2 2 340.515 3.414 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000683474513 550232924 /nfs/dbraw/zinc/23/29/24/550232924.db2.gz LJSRYEHBWRXTCW-BSLALVQMSA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000683474513 550232925 /nfs/dbraw/zinc/23/29/25/550232925.db2.gz LJSRYEHBWRXTCW-BSLALVQMSA-N 2 2 336.479 3.360 20 0 EGADLP CCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)nc1 ZINC000683727195 550255213 /nfs/dbraw/zinc/25/52/13/550255213.db2.gz RYPLAERIVLJSJX-UHFFFAOYSA-N 2 2 327.428 3.227 20 0 EGADLP c1[nH+]c(C2CC[NH+](Cc3[nH]nc4ccccc43)CC2)n2c1CCCC2 ZINC000684026891 550283242 /nfs/dbraw/zinc/28/32/42/550283242.db2.gz XBECHNDSZUPORE-UHFFFAOYSA-N 2 2 335.455 3.475 20 0 EGADLP c1[nH+]c(C2CC[NH+](Cc3n[nH]c4ccccc43)CC2)n2c1CCCC2 ZINC000684026891 550283245 /nfs/dbraw/zinc/28/32/45/550283245.db2.gz XBECHNDSZUPORE-UHFFFAOYSA-N 2 2 335.455 3.475 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000684113301 550292700 /nfs/dbraw/zinc/29/27/00/550292700.db2.gz CHHFXASVMQIJPO-AEFFLSMTSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000684113301 550292702 /nfs/dbraw/zinc/29/27/02/550292702.db2.gz CHHFXASVMQIJPO-AEFFLSMTSA-N 2 2 331.504 3.422 20 0 EGADLP C[C@H]1C[C@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000684677761 550354796 /nfs/dbraw/zinc/35/47/96/550354796.db2.gz HBQJAIAJFBNFJO-WMLDXEAASA-N 2 2 337.895 3.067 20 0 EGADLP C[C@H]1C[C@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000684677761 550354797 /nfs/dbraw/zinc/35/47/97/550354797.db2.gz HBQJAIAJFBNFJO-WMLDXEAASA-N 2 2 337.895 3.067 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000684958177 550388142 /nfs/dbraw/zinc/38/81/42/550388142.db2.gz USWMNEQSYVYWMH-AWEZNQCLSA-N 2 2 344.421 3.337 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCc4cccnc43)[nH+]c2)C1 ZINC000684962097 550389097 /nfs/dbraw/zinc/38/90/97/550389097.db2.gz XIZYRRLEKLRISV-MSOLQXFVSA-N 2 2 337.471 3.106 20 0 EGADLP CCC(=O)N1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000685042502 550395946 /nfs/dbraw/zinc/39/59/46/550395946.db2.gz AQPKGMOXUQCSQS-UHFFFAOYSA-N 2 2 335.536 3.023 20 0 EGADLP Oc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(C(F)(F)F)c1 ZINC000685835868 550446668 /nfs/dbraw/zinc/44/66/68/550446668.db2.gz FMNJMKRSHQMKIW-CQSZACIVSA-N 2 2 325.334 3.445 20 0 EGADLP Oc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(C(F)(F)F)c1 ZINC000685835868 550446669 /nfs/dbraw/zinc/44/66/69/550446669.db2.gz FMNJMKRSHQMKIW-CQSZACIVSA-N 2 2 325.334 3.445 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796475 574571990 /nfs/dbraw/zinc/57/19/90/574571990.db2.gz AXQVJHWWFXTZOV-UYAOXDASSA-N 2 2 342.483 3.229 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1OC ZINC000726796475 574571991 /nfs/dbraw/zinc/57/19/91/574571991.db2.gz AXQVJHWWFXTZOV-UYAOXDASSA-N 2 2 342.483 3.229 20 0 EGADLP CC(C)CCCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000747909780 574583528 /nfs/dbraw/zinc/58/35/28/574583528.db2.gz YKDZBQHZDJJMAT-UHFFFAOYSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000727465795 574669463 /nfs/dbraw/zinc/66/94/63/574669463.db2.gz KIDPVWZOGDMBDV-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000727465795 574669464 /nfs/dbraw/zinc/66/94/64/574669464.db2.gz KIDPVWZOGDMBDV-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728115886 574717960 /nfs/dbraw/zinc/71/79/60/574717960.db2.gz VGZPANFZTXDLSI-YOEHRIQHSA-N 2 2 342.405 3.299 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728115886 574717963 /nfs/dbraw/zinc/71/79/63/574717963.db2.gz VGZPANFZTXDLSI-YOEHRIQHSA-N 2 2 342.405 3.299 20 0 EGADLP CC(C)(C)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000729265917 574834795 /nfs/dbraw/zinc/83/47/95/574834795.db2.gz VKFITYCMIXLZOR-GOSISDBHSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000729265917 574834797 /nfs/dbraw/zinc/83/47/97/574834797.db2.gz VKFITYCMIXLZOR-GOSISDBHSA-N 2 2 340.471 3.456 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000729683429 574879038 /nfs/dbraw/zinc/87/90/38/574879038.db2.gz MSANZKVBXMMNBV-PKOBYXMFSA-N 2 2 326.440 3.208 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000729683429 574879042 /nfs/dbraw/zinc/87/90/42/574879042.db2.gz MSANZKVBXMMNBV-PKOBYXMFSA-N 2 2 326.440 3.208 20 0 EGADLP c1ccc2[nH+]c(C3CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)[nH]c2c1 ZINC000733185724 575317748 /nfs/dbraw/zinc/31/77/48/575317748.db2.gz OQSCQQJZWKEZKV-UHFFFAOYSA-N 2 2 348.454 3.337 20 0 EGADLP CCc1cnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)o1 ZINC000742356963 576772193 /nfs/dbraw/zinc/77/21/93/576772193.db2.gz KKTRFINPIUHJIG-UHFFFAOYSA-N 2 2 342.443 3.270 20 0 EGADLP CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000076068462 1292419216 /nfs/dbraw/zinc/41/92/16/1292419216.db2.gz RMHXPTBSLHNXLI-IPMKNSEASA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000076068462 1292419219 /nfs/dbraw/zinc/41/92/19/1292419219.db2.gz RMHXPTBSLHNXLI-IPMKNSEASA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000076068462 1292419222 /nfs/dbraw/zinc/41/92/22/1292419222.db2.gz RMHXPTBSLHNXLI-IPMKNSEASA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000076068462 1292419224 /nfs/dbraw/zinc/41/92/24/1292419224.db2.gz RMHXPTBSLHNXLI-IPMKNSEASA-N 2 2 336.545 3.085 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615850 1293123747 /nfs/dbraw/zinc/12/37/47/1293123747.db2.gz JHYBGPOSKCRLLG-CVEARBPZSA-N 2 2 348.491 3.261 20 0 EGADLP Cc1ccc(F)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000116914018 1293211377 /nfs/dbraw/zinc/21/13/77/1293211377.db2.gz OHGFZWLQMQBXJD-UHFFFAOYSA-N 2 2 328.431 3.256 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CC[NH+](C)CC3)CC2)cc1 ZINC000125401090 1293507028 /nfs/dbraw/zinc/50/70/28/1293507028.db2.gz AKMRTTMTZCXUNZ-UHFFFAOYSA-N 3 2 344.547 3.043 20 0 EGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000131064736 1293677774 /nfs/dbraw/zinc/67/77/74/1293677774.db2.gz UMXGJPUQUWDXHT-CQSZACIVSA-N 2 2 330.501 3.470 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cn1 ZINC000134144120 1293764027 /nfs/dbraw/zinc/76/40/27/1293764027.db2.gz ZZZAVNBEZUDCQN-UHFFFAOYSA-N 2 2 325.441 3.199 20 0 EGADLP C[C@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158691469 1294212093 /nfs/dbraw/zinc/21/20/93/1294212093.db2.gz AZOZTMARFMAKCV-HNNXBMFYSA-N 2 2 344.459 3.390 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000182725170 1295070482 /nfs/dbraw/zinc/07/04/82/1295070482.db2.gz PVNXCMSSYYFOOZ-KRWDZBQOSA-N 2 2 339.524 3.098 20 0 EGADLP Cc1nn(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000183381356 1295115606 /nfs/dbraw/zinc/11/56/06/1295115606.db2.gz TZAXELGLNOIAID-HNNXBMFYSA-N 2 2 349.479 3.034 20 0 EGADLP Cc1nn(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000183381356 1295115611 /nfs/dbraw/zinc/11/56/11/1295115611.db2.gz TZAXELGLNOIAID-HNNXBMFYSA-N 2 2 349.479 3.034 20 0 EGADLP Cc1nn(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000183381374 1295115908 /nfs/dbraw/zinc/11/59/08/1295115908.db2.gz TZAXELGLNOIAID-OAHLLOKOSA-N 2 2 349.479 3.034 20 0 EGADLP Cc1nn(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000183381374 1295115911 /nfs/dbraw/zinc/11/59/11/1295115911.db2.gz TZAXELGLNOIAID-OAHLLOKOSA-N 2 2 349.479 3.034 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760874 1295283125 /nfs/dbraw/zinc/28/31/25/1295283125.db2.gz XEJNKCHCAINZGL-KGLIPLIRSA-N 2 2 335.423 3.477 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760874 1295283132 /nfs/dbraw/zinc/28/31/32/1295283132.db2.gz XEJNKCHCAINZGL-KGLIPLIRSA-N 2 2 335.423 3.477 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000229052313 1296156690 /nfs/dbraw/zinc/15/66/90/1296156690.db2.gz NCOLMZAWDFNEBE-CVEARBPZSA-N 2 2 327.513 3.001 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc(C)c1OCc1ccccn1 ZINC000237082565 1296219944 /nfs/dbraw/zinc/21/99/44/1296219944.db2.gz GODFUQWUFFXAIY-HXUWFJFHSA-N 2 2 339.483 3.461 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc(C)c1OCc1ccccn1 ZINC000237082565 1296219947 /nfs/dbraw/zinc/21/99/47/1296219947.db2.gz GODFUQWUFFXAIY-HXUWFJFHSA-N 2 2 339.483 3.461 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccccc21 ZINC000237582070 1296251812 /nfs/dbraw/zinc/25/18/12/1296251812.db2.gz DNLKQGOOHSBMNW-QGZVFWFLSA-N 2 2 332.451 3.413 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957140 1296376511 /nfs/dbraw/zinc/37/65/11/1296376511.db2.gz UVIGTHZCDGJDPI-PXNSSMCTSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957140 1296376526 /nfs/dbraw/zinc/37/65/26/1296376526.db2.gz UVIGTHZCDGJDPI-PXNSSMCTSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957140 1296376541 /nfs/dbraw/zinc/37/65/41/1296376541.db2.gz UVIGTHZCDGJDPI-PXNSSMCTSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957140 1296376557 /nfs/dbraw/zinc/37/65/57/1296376557.db2.gz UVIGTHZCDGJDPI-PXNSSMCTSA-N 2 2 347.547 3.164 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000261375280 1296589564 /nfs/dbraw/zinc/58/95/64/1296589564.db2.gz ZALOHELHEQHURO-IBGZPJMESA-N 2 2 325.387 3.143 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(O)ccc2F)[C@H](C)C1 ZINC000872033555 1296681090 /nfs/dbraw/zinc/68/10/90/1296681090.db2.gz FGSIJUZNIDZDGN-VCBZYWHSSA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(O)ccc2F)[C@H](C)C1 ZINC000872033555 1296681107 /nfs/dbraw/zinc/68/11/07/1296681107.db2.gz FGSIJUZNIDZDGN-VCBZYWHSSA-N 2 2 338.467 3.319 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCC[N@H+](C3CC3)[C@@H]2c2ccnn2C)c1 ZINC000344445032 1297332804 /nfs/dbraw/zinc/33/28/04/1297332804.db2.gz IHJNQCGEORGOLT-BEFAXECRSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCC[N@@H+](C3CC3)[C@@H]2c2ccnn2C)c1 ZINC000344445032 1297332818 /nfs/dbraw/zinc/33/28/18/1297332818.db2.gz IHJNQCGEORGOLT-BEFAXECRSA-N 2 2 325.460 3.151 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000687673585 1298119554 /nfs/dbraw/zinc/11/95/54/1298119554.db2.gz UGKIVDDSACKDTJ-JCYILVPMSA-N 2 2 339.524 3.144 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000687673585 1298119557 /nfs/dbraw/zinc/11/95/57/1298119557.db2.gz UGKIVDDSACKDTJ-JCYILVPMSA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000710371828 1298257046 /nfs/dbraw/zinc/25/70/46/1298257046.db2.gz APMHVNJXIOMKAA-HRCADAONSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000710371828 1298257055 /nfs/dbraw/zinc/25/70/55/1298257055.db2.gz APMHVNJXIOMKAA-HRCADAONSA-N 2 2 339.524 3.142 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000746628712 1298626388 /nfs/dbraw/zinc/62/63/88/1298626388.db2.gz ZYNSNPVUEZHOTK-SFHVURJKSA-N 2 2 340.471 3.081 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000746628712 1298626394 /nfs/dbraw/zinc/62/63/94/1298626394.db2.gz ZYNSNPVUEZHOTK-SFHVURJKSA-N 2 2 340.471 3.081 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000746628710 1298626918 /nfs/dbraw/zinc/62/69/18/1298626918.db2.gz ZYNSNPVUEZHOTK-GOSISDBHSA-N 2 2 340.471 3.081 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000746628710 1298626926 /nfs/dbraw/zinc/62/69/26/1298626926.db2.gz ZYNSNPVUEZHOTK-GOSISDBHSA-N 2 2 340.471 3.081 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651736 1298630886 /nfs/dbraw/zinc/63/08/86/1298630886.db2.gz JCPPLVISXGFYNE-XJKSGUPXSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651736 1298630895 /nfs/dbraw/zinc/63/08/95/1298630895.db2.gz JCPPLVISXGFYNE-XJKSGUPXSA-N 2 2 330.394 3.155 20 0 EGADLP Cc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)sn1 ZINC000877066506 1299142558 /nfs/dbraw/zinc/14/25/58/1299142558.db2.gz MZRBJBQRYXAVPP-UHFFFAOYSA-N 2 2 330.501 3.276 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877149602 1299184496 /nfs/dbraw/zinc/18/44/96/1299184496.db2.gz DMAKTRFLHIWJHP-QBPKDAKJSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@]1(C[NH2+]Cc2ccc(Cl)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000877496350 1299348609 /nfs/dbraw/zinc/34/86/09/1299348609.db2.gz PRROXMBINQEGSI-GOSISDBHSA-N 2 2 330.863 3.132 20 0 EGADLP C[C@]1(C[NH2+]Cc2ccc(Cl)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496350 1299348621 /nfs/dbraw/zinc/34/86/21/1299348621.db2.gz PRROXMBINQEGSI-GOSISDBHSA-N 2 2 330.863 3.132 20 0 EGADLP Cc1ccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c(N(C)C)[nH+]1 ZINC000750388890 1299385966 /nfs/dbraw/zinc/38/59/66/1299385966.db2.gz JMNATODNMPHDAU-UHFFFAOYSA-N 2 2 335.496 3.086 20 0 EGADLP CC[C@H](C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367545 1300327566 /nfs/dbraw/zinc/32/75/66/1300327566.db2.gz SMVXVMXQLHCVHB-LPHOPBHVSA-N 2 2 343.515 3.098 20 0 EGADLP CC[C@H](C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367545 1300327574 /nfs/dbraw/zinc/32/75/74/1300327574.db2.gz SMVXVMXQLHCVHB-LPHOPBHVSA-N 2 2 343.515 3.098 20 0 EGADLP FC(F)C(F)(F)COCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570923 1301166291 /nfs/dbraw/zinc/16/62/91/1301166291.db2.gz ZRJHTNYUUMXNGE-AWEZNQCLSA-N 2 2 345.340 3.131 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860053 1301179190 /nfs/dbraw/zinc/17/91/90/1301179190.db2.gz XCASVVAHUFCLEF-YJBOKZPZSA-N 2 2 340.870 3.463 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860053 1301179197 /nfs/dbraw/zinc/17/91/97/1301179197.db2.gz XCASVVAHUFCLEF-YJBOKZPZSA-N 2 2 340.870 3.463 20 0 EGADLP C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCCCCC1 ZINC000882872622 1302141027 /nfs/dbraw/zinc/14/10/27/1302141027.db2.gz IYUSWUSNGVMJNK-PKOBYXMFSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)OCCc2ccccc21 ZINC000883340163 1302398262 /nfs/dbraw/zinc/39/82/62/1302398262.db2.gz KWIKMLHXNPGTEP-NRFANRHFSA-N 2 2 337.467 3.128 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137529 1302398945 /nfs/dbraw/zinc/39/89/45/1302398945.db2.gz ZZCOVTQZFMSSLA-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137529 1302398957 /nfs/dbraw/zinc/39/89/57/1302398957.db2.gz ZZCOVTQZFMSSLA-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP Cc1[nH+]ccn1CCCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000767642030 1302729401 /nfs/dbraw/zinc/72/94/01/1302729401.db2.gz ILVGIPBFIGQDQY-IBGZPJMESA-N 2 2 341.455 3.180 20 0 EGADLP Cc1[nH+]ccn1CCCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000767642030 1302729409 /nfs/dbraw/zinc/72/94/09/1302729409.db2.gz ILVGIPBFIGQDQY-IBGZPJMESA-N 2 2 341.455 3.180 20 0 EGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770657150 1303300927 /nfs/dbraw/zinc/30/09/27/1303300927.db2.gz JTEOGRWVUNKNNN-UHFFFAOYSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)[nH+]c1C ZINC000886667748 1303547640 /nfs/dbraw/zinc/54/76/40/1303547640.db2.gz HERNPQHFYKACRO-MRXNPFEDSA-N 2 2 335.398 3.218 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886730344 1303581318 /nfs/dbraw/zinc/58/13/18/1303581318.db2.gz ACNHHZQUOHNJDM-UHFFFAOYSA-N 2 2 341.455 3.344 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868148 1303619514 /nfs/dbraw/zinc/61/95/14/1303619514.db2.gz WQCLKBPWTJOSBZ-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868148 1303619520 /nfs/dbraw/zinc/61/95/20/1303619520.db2.gz WQCLKBPWTJOSBZ-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609217 1303993495 /nfs/dbraw/zinc/99/34/95/1303993495.db2.gz SNZSFFVVSQOMAZ-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609217 1303993497 /nfs/dbraw/zinc/99/34/97/1303993497.db2.gz SNZSFFVVSQOMAZ-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609217 1303993502 /nfs/dbraw/zinc/99/35/02/1303993502.db2.gz SNZSFFVVSQOMAZ-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609217 1303993507 /nfs/dbraw/zinc/99/35/07/1303993507.db2.gz SNZSFFVVSQOMAZ-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000777007095 1304231694 /nfs/dbraw/zinc/23/16/94/1304231694.db2.gz KXXLIGQWYHXPMS-FVQBIDKESA-N 2 2 330.394 3.206 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000777007095 1304231698 /nfs/dbraw/zinc/23/16/98/1304231698.db2.gz KXXLIGQWYHXPMS-FVQBIDKESA-N 2 2 330.394 3.206 20 0 EGADLP CCc1noc(C)c1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000777256707 1304276137 /nfs/dbraw/zinc/27/61/37/1304276137.db2.gz RAGZXOWTOMTRSQ-CJNGLKHVSA-N 2 2 343.475 3.254 20 0 EGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026475 1304521023 /nfs/dbraw/zinc/52/10/23/1304521023.db2.gz WTZOBVRUAOHVOL-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026475 1304521027 /nfs/dbraw/zinc/52/10/27/1304521027.db2.gz WTZOBVRUAOHVOL-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCCOC1 ZINC000780724383 1304729600 /nfs/dbraw/zinc/72/96/00/1304729600.db2.gz KHESQQOXJLTTGU-SJORKVTESA-N 2 2 331.504 3.126 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000783974608 1305169869 /nfs/dbraw/zinc/16/98/69/1305169869.db2.gz JVIXOVINWGAELU-ROUUACIJSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000783974608 1305169876 /nfs/dbraw/zinc/16/98/76/1305169876.db2.gz JVIXOVINWGAELU-ROUUACIJSA-N 2 2 344.503 3.128 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892033069 1305232919 /nfs/dbraw/zinc/23/29/19/1305232919.db2.gz AXJMKAOJGOSXRM-CYBMUJFWSA-N 2 2 339.505 3.479 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892033069 1305232924 /nfs/dbraw/zinc/23/29/24/1305232924.db2.gz AXJMKAOJGOSXRM-CYBMUJFWSA-N 2 2 339.505 3.479 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785744408 1305421705 /nfs/dbraw/zinc/42/17/05/1305421705.db2.gz VCHDANQGDXJYCN-HOTGVXAUSA-N 2 2 327.428 3.097 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)n2)c1 ZINC000892714403 1305520145 /nfs/dbraw/zinc/52/01/45/1305520145.db2.gz ZHSFNXMABWXGGN-CQSZACIVSA-N 2 2 342.468 3.441 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893098978 1305706037 /nfs/dbraw/zinc/70/60/37/1305706037.db2.gz UKQWRCMSNQSZDX-UZLBHIALSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893098978 1305706049 /nfs/dbraw/zinc/70/60/49/1305706049.db2.gz UKQWRCMSNQSZDX-UZLBHIALSA-N 2 2 338.499 3.440 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CCC1 ZINC000788259297 1305910248 /nfs/dbraw/zinc/91/02/48/1305910248.db2.gz NDMVVTOZDTVWMH-CVEARBPZSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607825 1305980836 /nfs/dbraw/zinc/98/08/36/1305980836.db2.gz DDFUFIYTNUBHIY-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607825 1305980841 /nfs/dbraw/zinc/98/08/41/1305980841.db2.gz DDFUFIYTNUBHIY-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP CCOC(=O)C1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895110820 1309195270 /nfs/dbraw/zinc/19/52/70/1309195270.db2.gz YINHASJKKFBMDP-QXINMDOSSA-N 2 2 345.487 3.280 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576902 1319402050 /nfs/dbraw/zinc/40/20/50/1319402050.db2.gz ZYXRVQFWTCRBFQ-GWCFXTLKSA-N 2 2 344.322 3.288 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576902 1319402056 /nfs/dbraw/zinc/40/20/56/1319402056.db2.gz ZYXRVQFWTCRBFQ-GWCFXTLKSA-N 2 2 344.322 3.288 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985683 1310541233 /nfs/dbraw/zinc/54/12/33/1310541233.db2.gz QNXLSJIWPBISNY-UHFFFAOYSA-N 2 2 340.471 3.192 20 0 EGADLP C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880265 1317352502 /nfs/dbraw/zinc/35/25/02/1317352502.db2.gz CXPSYFDJZUQVRK-VDZJLULYSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880265 1317352511 /nfs/dbraw/zinc/35/25/11/1317352511.db2.gz CXPSYFDJZUQVRK-VDZJLULYSA-N 2 2 338.455 3.066 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000957557701 1317454426 /nfs/dbraw/zinc/45/44/26/1317454426.db2.gz CUDMGSLBZGZQGT-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000957557701 1317454429 /nfs/dbraw/zinc/45/44/29/1317454429.db2.gz CUDMGSLBZGZQGT-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP Cn1cc([C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000902374979 1317570321 /nfs/dbraw/zinc/57/03/21/1317570321.db2.gz SZZVLUDULILDLS-QZTJIDSGSA-N 2 2 330.451 3.016 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902429826 1317577605 /nfs/dbraw/zinc/57/76/05/1317577605.db2.gz ACIWSQFYWVUJFT-IHMNZUQTSA-N 2 2 330.472 3.103 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1OC ZINC000902432389 1317577726 /nfs/dbraw/zinc/57/77/26/1317577726.db2.gz HHZJIPPSDJLGTL-CYFNAFFESA-N 2 2 340.467 3.158 20 0 EGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902437000 1317578629 /nfs/dbraw/zinc/57/86/29/1317578629.db2.gz GEPQETVYWJUIRE-QQGDVQBRSA-N 2 2 335.451 3.192 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1Cn1cccn1 ZINC000902481738 1317582838 /nfs/dbraw/zinc/58/28/38/1317582838.db2.gz GHVSFTZTQNQBHD-APWZRJJASA-N 2 2 342.487 3.123 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000902481868 1317583123 /nfs/dbraw/zinc/58/31/23/1317583123.db2.gz HMEPHDJYNHTOOG-KSSFIOAISA-N 2 2 330.476 3.153 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)c(C)[nH+]1 ZINC001020415068 1317687342 /nfs/dbraw/zinc/68/73/42/1317687342.db2.gz ZOBQNXLWYNRBOQ-WKILWMFISA-N 2 2 329.469 3.119 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903726464 1317726216 /nfs/dbraw/zinc/72/62/16/1317726216.db2.gz LXEPRPDIXFQTQL-SUMWQHHRSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903726464 1317726225 /nfs/dbraw/zinc/72/62/25/1317726225.db2.gz LXEPRPDIXFQTQL-SUMWQHHRSA-N 2 2 341.282 3.120 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739132 1317728794 /nfs/dbraw/zinc/72/87/94/1317728794.db2.gz CRJADZKHFJFRON-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739132 1317728802 /nfs/dbraw/zinc/72/88/02/1317728802.db2.gz CRJADZKHFJFRON-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739132 1317728808 /nfs/dbraw/zinc/72/88/08/1317728808.db2.gz CRJADZKHFJFRON-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739132 1317728816 /nfs/dbraw/zinc/72/88/16/1317728816.db2.gz CRJADZKHFJFRON-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814053 1317736859 /nfs/dbraw/zinc/73/68/59/1317736859.db2.gz JPMGXVRUWRNRFQ-KRWDZBQOSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814053 1317736864 /nfs/dbraw/zinc/73/68/64/1317736864.db2.gz JPMGXVRUWRNRFQ-KRWDZBQOSA-N 2 2 329.488 3.225 20 0 EGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(CCc3ccccc3)n1)C2 ZINC000903842150 1317739212 /nfs/dbraw/zinc/73/92/12/1317739212.db2.gz KMQHQGKNQVQHQL-JZXOWHBKSA-N 2 2 327.497 3.240 20 0 EGADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(CCc3ccccc3)n1)C2 ZINC000903842150 1317739220 /nfs/dbraw/zinc/73/92/20/1317739220.db2.gz KMQHQGKNQVQHQL-JZXOWHBKSA-N 2 2 327.497 3.240 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000808833998 1317740519 /nfs/dbraw/zinc/74/05/19/1317740519.db2.gz KVJXJRXGDKAPGL-UHFFFAOYSA-N 2 2 343.475 3.454 20 0 EGADLP Clc1ccccc1[C@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884295 1317741167 /nfs/dbraw/zinc/74/11/67/1317741167.db2.gz WVJMZGFJLRDTJX-RDTXWAMCSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccccc1[C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884295 1317741173 /nfs/dbraw/zinc/74/11/73/1317741173.db2.gz WVJMZGFJLRDTJX-RDTXWAMCSA-N 2 2 345.878 3.193 20 0 EGADLP [NH3+][C@@H](C[NH2+]Cc1cccnc1Oc1cccc(F)c1)CC(F)F ZINC000903922530 1317749473 /nfs/dbraw/zinc/74/94/73/1317749473.db2.gz YWNVXYDZZBOMJI-CYBMUJFWSA-N 2 2 325.334 3.085 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c2ccccc12 ZINC000903973458 1317759944 /nfs/dbraw/zinc/75/99/44/1317759944.db2.gz DRYJOYZLCUCPIT-KRWDZBQOSA-N 2 2 340.467 3.097 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000904317900 1317829938 /nfs/dbraw/zinc/82/99/38/1317829938.db2.gz JPEBCIQODFHOBW-CVEARBPZSA-N 2 2 325.541 3.014 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000904317900 1317829929 /nfs/dbraw/zinc/82/99/29/1317829929.db2.gz JPEBCIQODFHOBW-CVEARBPZSA-N 2 2 325.541 3.014 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000960170701 1318394266 /nfs/dbraw/zinc/39/42/66/1318394266.db2.gz SZOACQBYXLKSQE-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590163 1318719172 /nfs/dbraw/zinc/71/91/72/1318719172.db2.gz JYUPQGVMMIFOEF-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590163 1318719177 /nfs/dbraw/zinc/71/91/77/1318719177.db2.gz JYUPQGVMMIFOEF-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCCCCC[NH+]1CCCC1 ZINC000814920032 1318849078 /nfs/dbraw/zinc/84/90/78/1318849078.db2.gz YEDXXQPHGAKVIA-UHFFFAOYSA-N 2 2 330.480 3.259 20 0 EGADLP CC1CC[NH+](CC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC000815130725 1318904152 /nfs/dbraw/zinc/90/41/52/1318904152.db2.gz OKPAHIHJROQGGA-UHFFFAOYSA-N 2 2 334.479 3.239 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143604 1318910172 /nfs/dbraw/zinc/91/01/72/1318910172.db2.gz BHAJVQSZVZELFB-DLBZAZTESA-N 2 2 342.405 3.157 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143604 1318910181 /nfs/dbraw/zinc/91/01/81/1318910181.db2.gz BHAJVQSZVZELFB-DLBZAZTESA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143604 1318910189 /nfs/dbraw/zinc/91/01/89/1318910189.db2.gz BHAJVQSZVZELFB-DLBZAZTESA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143604 1318910200 /nfs/dbraw/zinc/91/02/00/1318910200.db2.gz BHAJVQSZVZELFB-DLBZAZTESA-N 2 2 342.405 3.157 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142962 1318910311 /nfs/dbraw/zinc/91/03/11/1318910311.db2.gz ASCAKFRPFZKEQI-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142962 1318910321 /nfs/dbraw/zinc/91/03/21/1318910321.db2.gz ASCAKFRPFZKEQI-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142962 1318910334 /nfs/dbraw/zinc/91/03/34/1318910334.db2.gz ASCAKFRPFZKEQI-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142962 1318910349 /nfs/dbraw/zinc/91/03/49/1318910349.db2.gz ASCAKFRPFZKEQI-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(O)CCCC3(C)C)CC2)cc1 ZINC000815147026 1318910864 /nfs/dbraw/zinc/91/08/64/1318910864.db2.gz MTXUMEOOOXYGDD-OAQYLSRUSA-N 2 2 345.531 3.252 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001023161289 1319301444 /nfs/dbraw/zinc/30/14/44/1319301444.db2.gz UVEQJZNCQABPNZ-ZYSHUDEJSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccn1 ZINC000817276115 1319311221 /nfs/dbraw/zinc/31/12/21/1319311221.db2.gz QOPAJZYOWQHWTL-OAQYLSRUSA-N 2 2 339.483 3.401 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000817948590 1319473429 /nfs/dbraw/zinc/47/34/29/1319473429.db2.gz BWCIEUKAPQUFLZ-LPHOPBHVSA-N 3 2 333.520 3.330 20 0 EGADLP O[C@@H](C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000819057173 1319623503 /nfs/dbraw/zinc/62/35/03/1319623503.db2.gz SYLGZPMOFVOMNF-SFHVURJKSA-N 2 2 334.529 3.061 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000918198191 1319933106 /nfs/dbraw/zinc/93/31/06/1319933106.db2.gz TYOHSWBYIVNVOF-SFHVURJKSA-N 2 2 327.815 3.349 20 0 EGADLP Cc1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc(C)[nH+]1 ZINC000823056517 1320150192 /nfs/dbraw/zinc/15/01/92/1320150192.db2.gz CBTCBTBTAHERRY-UHFFFAOYSA-N 2 2 327.428 3.207 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000823944232 1320217641 /nfs/dbraw/zinc/21/76/41/1320217641.db2.gz UHNGHORWAWRECR-FXAWDEMLSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966681 1320219344 /nfs/dbraw/zinc/21/93/44/1320219344.db2.gz ZOUPRWKTIQBTSM-QFBILLFUSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966681 1320219351 /nfs/dbraw/zinc/21/93/51/1320219351.db2.gz ZOUPRWKTIQBTSM-QFBILLFUSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824098593 1320228927 /nfs/dbraw/zinc/22/89/27/1320228927.db2.gz MMNVBIYIYOCIQB-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824098593 1320228933 /nfs/dbraw/zinc/22/89/33/1320228933.db2.gz MMNVBIYIYOCIQB-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1CC[NH+](C(C)C)CC1)n1cc[nH+]c1 ZINC000825329160 1320328506 /nfs/dbraw/zinc/32/85/06/1320328506.db2.gz SDSFLQAOFWFACN-SFHVURJKSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000826872402 1320411010 /nfs/dbraw/zinc/41/10/10/1320411010.db2.gz MBKPDWFOSMVKBZ-HWOWSKLDSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NCCC1CC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000826872402 1320411013 /nfs/dbraw/zinc/41/10/13/1320411013.db2.gz MBKPDWFOSMVKBZ-HWOWSKLDSA-N 2 2 339.524 3.142 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000827527620 1320458729 /nfs/dbraw/zinc/45/87/29/1320458729.db2.gz ZFFIPHSRXRMFEA-UHFFFAOYSA-N 2 2 334.435 3.109 20 0 EGADLP c1nc(C2CC2)ncc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000838923668 1320835896 /nfs/dbraw/zinc/83/58/96/1320835896.db2.gz SOVLVMBPGHJRGL-UHFFFAOYSA-N 2 2 328.504 3.488 20 0 EGADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841026414 1321203677 /nfs/dbraw/zinc/20/36/77/1321203677.db2.gz AYVZRNIHOXQGKT-UHFFFAOYSA-N 2 2 339.270 3.329 20 0 EGADLP Cn1cc[nH+]c1CCCOC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000842340942 1321374706 /nfs/dbraw/zinc/37/47/06/1321374706.db2.gz VQOSEQLBMGRLFY-UHFFFAOYSA-N 2 2 341.455 3.196 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843047454 1321461333 /nfs/dbraw/zinc/46/13/33/1321461333.db2.gz MXNCRCMOPGBNNK-MRXNPFEDSA-N 2 2 332.879 3.064 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843047454 1321461339 /nfs/dbraw/zinc/46/13/39/1321461339.db2.gz MXNCRCMOPGBNNK-MRXNPFEDSA-N 2 2 332.879 3.064 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355230 1321505551 /nfs/dbraw/zinc/50/55/51/1321505551.db2.gz XCGNDDCPJHQPAP-KXBFYZLASA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355230 1321505553 /nfs/dbraw/zinc/50/55/53/1321505553.db2.gz XCGNDDCPJHQPAP-KXBFYZLASA-N 2 2 327.472 3.472 20 0 EGADLP C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000845929415 1321754827 /nfs/dbraw/zinc/75/48/27/1321754827.db2.gz UKPGJFMSUXNUHU-GTPINHCMSA-N 2 2 339.524 3.144 20 0 EGADLP COC(=O)/C=C/c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000848898185 1322036966 /nfs/dbraw/zinc/03/69/66/1322036966.db2.gz PYQZXVMKYIROFG-MDZDMXLPSA-N 2 2 346.471 3.353 20 0 EGADLP COc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)cc1Cl ZINC000849066768 1322065595 /nfs/dbraw/zinc/06/55/95/1322065595.db2.gz ORIQLSZVKKBAIO-UHFFFAOYSA-N 2 2 346.862 3.417 20 0 EGADLP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000849066768 1322065602 /nfs/dbraw/zinc/06/56/02/1322065602.db2.gz ORIQLSZVKKBAIO-UHFFFAOYSA-N 2 2 346.862 3.417 20 0 EGADLP [NH2+]=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCC1 ZINC000849111277 1322082467 /nfs/dbraw/zinc/08/24/67/1322082467.db2.gz YABVORLQODPMQH-QGZVFWFLSA-N 2 2 340.496 3.078 20 0 EGADLP [NH2+]=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCC1 ZINC000849111277 1322082470 /nfs/dbraw/zinc/08/24/70/1322082470.db2.gz YABVORLQODPMQH-QGZVFWFLSA-N 2 2 340.496 3.078 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)c1 ZINC000850117954 1322194363 /nfs/dbraw/zinc/19/43/63/1322194363.db2.gz CIJOURLKNUOQMN-MSOLQXFVSA-N 2 2 328.481 3.368 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)c1 ZINC000850117954 1322194366 /nfs/dbraw/zinc/19/43/66/1322194366.db2.gz CIJOURLKNUOQMN-MSOLQXFVSA-N 2 2 328.481 3.368 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2cnccc2o1 ZINC000850432851 1322248012 /nfs/dbraw/zinc/24/80/12/1322248012.db2.gz CHVVXFGMRVQFHS-RHSMWYFYSA-N 2 2 329.444 3.122 20 0 EGADLP CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000921549965 1322349464 /nfs/dbraw/zinc/34/94/64/1322349464.db2.gz GAUHNEBDJNAIOE-RBUKOAKNSA-N 2 2 334.529 3.283 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)[nH+]c1C ZINC000921659883 1322373037 /nfs/dbraw/zinc/37/30/37/1322373037.db2.gz PKSPNPPDRIOVKU-LRDDRELGSA-N 2 2 326.444 3.362 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)[nH+]c1C ZINC000921659883 1322373039 /nfs/dbraw/zinc/37/30/39/1322373039.db2.gz PKSPNPPDRIOVKU-LRDDRELGSA-N 2 2 326.444 3.362 20 0 EGADLP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000851739532 1323077283 /nfs/dbraw/zinc/07/72/83/1323077283.db2.gz LKMTXALIRDVROT-INIZCTEOSA-N 2 2 332.410 3.228 20 0 EGADLP CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000851739532 1323077290 /nfs/dbraw/zinc/07/72/90/1323077290.db2.gz LKMTXALIRDVROT-INIZCTEOSA-N 2 2 332.410 3.228 20 0 EGADLP CC[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851739532 1323077303 /nfs/dbraw/zinc/07/73/03/1323077303.db2.gz LKMTXALIRDVROT-INIZCTEOSA-N 2 2 332.410 3.228 20 0 EGADLP CC[NH+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851739532 1323077311 /nfs/dbraw/zinc/07/73/11/1323077311.db2.gz LKMTXALIRDVROT-INIZCTEOSA-N 2 2 332.410 3.228 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cc(CO)on1 ZINC000924673790 1323105683 /nfs/dbraw/zinc/10/56/83/1323105683.db2.gz YGSDYIRPKSTMEM-HOTGVXAUSA-N 2 2 343.471 3.392 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cc(CO)on1 ZINC000924673790 1323105690 /nfs/dbraw/zinc/10/56/90/1323105690.db2.gz YGSDYIRPKSTMEM-HOTGVXAUSA-N 2 2 343.471 3.392 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924690305 1323113350 /nfs/dbraw/zinc/11/33/50/1323113350.db2.gz YSMIAXDRJMQWGW-MOPGFXCFSA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924690305 1323113358 /nfs/dbraw/zinc/11/33/58/1323113358.db2.gz YSMIAXDRJMQWGW-MOPGFXCFSA-N 2 2 328.504 3.178 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105413 1323147679 /nfs/dbraw/zinc/14/76/79/1323147679.db2.gz JRVHUWSLKOWZIA-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105413 1323147685 /nfs/dbraw/zinc/14/76/85/1323147685.db2.gz JRVHUWSLKOWZIA-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105413 1323147689 /nfs/dbraw/zinc/14/76/89/1323147689.db2.gz JRVHUWSLKOWZIA-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000852105413 1323147696 /nfs/dbraw/zinc/14/76/96/1323147696.db2.gz JRVHUWSLKOWZIA-SJORKVTESA-N 2 2 343.298 3.445 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ncnn21 ZINC000925048309 1323256301 /nfs/dbraw/zinc/25/63/01/1323256301.db2.gz CCKPZAWXSQLTQJ-LPHOPBHVSA-N 2 2 339.487 3.450 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647578 1323572901 /nfs/dbraw/zinc/57/29/01/1323572901.db2.gz PKQKVXSDRDEGMY-CVEARBPZSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001024647578 1323572907 /nfs/dbraw/zinc/57/29/07/1323572907.db2.gz PKQKVXSDRDEGMY-CVEARBPZSA-N 2 2 346.519 3.237 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC001025174308 1323943020 /nfs/dbraw/zinc/94/30/20/1323943020.db2.gz JEINDGNOIZGJHK-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226736 1324013779 /nfs/dbraw/zinc/01/37/79/1324013779.db2.gz KYUNKZCSJDMMNN-ROUUACIJSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226736 1324013784 /nfs/dbraw/zinc/01/37/84/1324013784.db2.gz KYUNKZCSJDMMNN-ROUUACIJSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293866 1324121673 /nfs/dbraw/zinc/12/16/73/1324121673.db2.gz VMMXCUZBSKBKEM-MOPGFXCFSA-N 2 2 344.503 3.072 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293866 1324121677 /nfs/dbraw/zinc/12/16/77/1324121677.db2.gz VMMXCUZBSKBKEM-MOPGFXCFSA-N 2 2 344.503 3.072 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(Br)n1 ZINC000925230409 1325089060 /nfs/dbraw/zinc/08/90/60/1325089060.db2.gz AVQCRDXKHGOQCE-GFCCVEGCSA-N 2 2 335.249 3.392 20 0 EGADLP COc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1OC1CCCC1 ZINC000925479502 1325168760 /nfs/dbraw/zinc/16/87/60/1325168760.db2.gz RNODVQNJGRYUSA-ROIJKSTQSA-N 2 2 342.483 3.103 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925554687 1325206072 /nfs/dbraw/zinc/20/60/72/1325206072.db2.gz CYRBKPZZRAPUNC-PMACEKPBSA-N 2 2 340.467 3.029 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(OCC(F)(F)F)cc1 ZINC000925564901 1325212694 /nfs/dbraw/zinc/21/26/94/1325212694.db2.gz MUEQTYDHHOUCLX-RQYBSSNQSA-N 2 2 340.389 3.275 20 0 EGADLP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925643249 1325244687 /nfs/dbraw/zinc/24/46/87/1325244687.db2.gz JSGAAKHJYMSOCZ-BBRMVZONSA-N 2 2 339.405 3.158 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000925769177 1325291993 /nfs/dbraw/zinc/29/19/93/1325291993.db2.gz BHTBJCNXCPZGLR-OXQOHEQNSA-N 3 2 335.455 3.137 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(Cl)c1 ZINC000925794426 1325303475 /nfs/dbraw/zinc/30/34/75/1325303475.db2.gz LNMQYHXNZQQXTQ-GXTWGEPZSA-N 2 2 326.843 3.288 20 0 EGADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCO2 ZINC000925792884 1325304906 /nfs/dbraw/zinc/30/49/06/1325304906.db2.gz BQIPOUVRLQOYJO-RTBURBONSA-N 2 2 344.499 3.211 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000925798259 1325306477 /nfs/dbraw/zinc/30/64/77/1325306477.db2.gz VQMYFBBDAQHKJW-OXQOHEQNSA-N 2 2 328.500 3.375 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(SC)C1 ZINC000925891141 1325345193 /nfs/dbraw/zinc/34/51/93/1325345193.db2.gz SPTMWJBLJLUDFE-UHFFFAOYSA-N 2 2 335.517 3.143 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926349867 1325523480 /nfs/dbraw/zinc/52/34/80/1325523480.db2.gz BMPRXZZXNCLAQK-HNAYVOBHSA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926349867 1325523486 /nfs/dbraw/zinc/52/34/86/1325523486.db2.gz BMPRXZZXNCLAQK-HNAYVOBHSA-N 2 2 329.444 3.246 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435800 1327675908 /nfs/dbraw/zinc/67/59/08/1327675908.db2.gz LNGZQEIJIPQMJD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435800 1327675915 /nfs/dbraw/zinc/67/59/15/1327675915.db2.gz LNGZQEIJIPQMJD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435800 1327675921 /nfs/dbraw/zinc/67/59/21/1327675921.db2.gz LNGZQEIJIPQMJD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027435800 1327675931 /nfs/dbraw/zinc/67/59/31/1327675931.db2.gz LNGZQEIJIPQMJD-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cc(C4CC4)nn3C)CC2)C1 ZINC000927099640 1327861642 /nfs/dbraw/zinc/86/16/42/1327861642.db2.gz RILOEBXKSUMUSJ-YJBOKZPZSA-N 2 2 330.520 3.430 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596811 1327948783 /nfs/dbraw/zinc/94/87/83/1327948783.db2.gz AWSHUHFHTGMRHD-WMZOPIPTSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596811 1327948786 /nfs/dbraw/zinc/94/87/86/1327948786.db2.gz AWSHUHFHTGMRHD-WMZOPIPTSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610387 1327974253 /nfs/dbraw/zinc/97/42/53/1327974253.db2.gz KTSNNPZCCIKXBY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610387 1327974260 /nfs/dbraw/zinc/97/42/60/1327974260.db2.gz KTSNNPZCCIKXBY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610387 1327974268 /nfs/dbraw/zinc/97/42/68/1327974268.db2.gz KTSNNPZCCIKXBY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610387 1327974274 /nfs/dbraw/zinc/97/42/74/1327974274.db2.gz KTSNNPZCCIKXBY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702073 1328117354 /nfs/dbraw/zinc/11/73/54/1328117354.db2.gz RTGYBVNRCIPBPR-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702073 1328117357 /nfs/dbraw/zinc/11/73/57/1328117357.db2.gz RTGYBVNRCIPBPR-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]([NH3+])CCC(C)C)n2)cn1 ZINC000863661156 1329571834 /nfs/dbraw/zinc/57/18/34/1329571834.db2.gz FEIAEJDIRMHHJS-CQSZACIVSA-N 2 2 326.404 3.062 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000865424032 1329695388 /nfs/dbraw/zinc/69/53/88/1329695388.db2.gz SKXPPBXUSLODMB-KRWDZBQOSA-N 2 2 331.504 3.128 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000934278820 1329961431 /nfs/dbraw/zinc/96/14/31/1329961431.db2.gz SCFQMCFASMXEBB-YJBOKZPZSA-N 2 2 348.450 3.346 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000934278820 1329961432 /nfs/dbraw/zinc/96/14/32/1329961432.db2.gz SCFQMCFASMXEBB-YJBOKZPZSA-N 2 2 348.450 3.346 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935076053 1330026896 /nfs/dbraw/zinc/02/68/96/1330026896.db2.gz DZMXQHFKJGDXRL-RBUKOAKNSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935076053 1330026897 /nfs/dbraw/zinc/02/68/97/1330026897.db2.gz DZMXQHFKJGDXRL-RBUKOAKNSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935172510 1330033101 /nfs/dbraw/zinc/03/31/01/1330033101.db2.gz SUGVCUZLTNGGIC-JKSUJKDBSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935172510 1330033102 /nfs/dbraw/zinc/03/31/02/1330033102.db2.gz SUGVCUZLTNGGIC-JKSUJKDBSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC1(C)OCCO1 ZINC000866425233 1330110001 /nfs/dbraw/zinc/11/00/01/1330110001.db2.gz SNRISKDAUZHQEJ-HZPDHXFCSA-N 2 2 329.444 3.312 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940920396 1331254796 /nfs/dbraw/zinc/25/47/96/1331254796.db2.gz CLAYRVSPTISXCV-GOSISDBHSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940920396 1331254797 /nfs/dbraw/zinc/25/47/97/1331254797.db2.gz CLAYRVSPTISXCV-GOSISDBHSA-N 2 2 340.471 3.111 20 0 EGADLP CC1(C)C[N@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129162 1331344697 /nfs/dbraw/zinc/34/46/97/1331344697.db2.gz DOFKJLOLNXHLKP-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129162 1331344703 /nfs/dbraw/zinc/34/47/03/1331344703.db2.gz DOFKJLOLNXHLKP-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943874969 1332286459 /nfs/dbraw/zinc/28/64/59/1332286459.db2.gz AAFSVDFPHLGTJM-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943874969 1332286463 /nfs/dbraw/zinc/28/64/63/1332286463.db2.gz AAFSVDFPHLGTJM-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450438 1333133204 /nfs/dbraw/zinc/13/32/04/1333133204.db2.gz ULQQGXHWLMTDQV-ZBFHGGJFSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947450438 1333133207 /nfs/dbraw/zinc/13/32/07/1333133207.db2.gz ULQQGXHWLMTDQV-ZBFHGGJFSA-N 2 2 326.444 3.112 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948451508 1333531472 /nfs/dbraw/zinc/53/14/72/1333531472.db2.gz AQNZODSBVSFBRC-GVDBMIGSSA-N 2 2 346.519 3.262 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948451508 1333531476 /nfs/dbraw/zinc/53/14/76/1333531476.db2.gz AQNZODSBVSFBRC-GVDBMIGSSA-N 2 2 346.519 3.262 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948451508 1333531481 /nfs/dbraw/zinc/53/14/81/1333531481.db2.gz AQNZODSBVSFBRC-GVDBMIGSSA-N 2 2 346.519 3.262 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948451508 1333531482 /nfs/dbraw/zinc/53/14/82/1333531482.db2.gz AQNZODSBVSFBRC-GVDBMIGSSA-N 2 2 346.519 3.262 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)c[nH+]1 ZINC000948474763 1333540634 /nfs/dbraw/zinc/54/06/34/1333540634.db2.gz YSLURVYWFMGUHY-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)c[nH+]1 ZINC000948474763 1333540635 /nfs/dbraw/zinc/54/06/35/1333540635.db2.gz YSLURVYWFMGUHY-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950469465 1334076924 /nfs/dbraw/zinc/07/69/24/1334076924.db2.gz FDOTVGQXYJUPJF-FXAWDEMLSA-N 2 2 343.515 3.155 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950469465 1334076926 /nfs/dbraw/zinc/07/69/26/1334076926.db2.gz FDOTVGQXYJUPJF-FXAWDEMLSA-N 2 2 343.515 3.155 20 0 EGADLP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614893 1334097561 /nfs/dbraw/zinc/09/75/61/1334097561.db2.gz KZMGHBDWYMLPBM-ICSRJNTNSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000950614893 1334097562 /nfs/dbraw/zinc/09/75/62/1334097562.db2.gz KZMGHBDWYMLPBM-ICSRJNTNSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000950704846 1334119049 /nfs/dbraw/zinc/11/90/49/1334119049.db2.gz DBYMHHDBFAXVIU-FQEVSTJZSA-N 2 2 347.547 3.140 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000950704846 1334119051 /nfs/dbraw/zinc/11/90/51/1334119051.db2.gz DBYMHHDBFAXVIU-FQEVSTJZSA-N 2 2 347.547 3.140 20 0 EGADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000970150581 1336284748 /nfs/dbraw/zinc/28/47/48/1336284748.db2.gz MBPWSGDLFOANAV-HOTGVXAUSA-N 2 2 348.450 3.146 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642767 1336682534 /nfs/dbraw/zinc/68/25/34/1336682534.db2.gz VQSVPFAQYRDHJT-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642767 1336682535 /nfs/dbraw/zinc/68/25/35/1336682535.db2.gz VQSVPFAQYRDHJT-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC001031050653 1341269988 /nfs/dbraw/zinc/26/99/88/1341269988.db2.gz SEHZHPHMBPLAIP-XLIONFOSSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC001031050653 1341269989 /nfs/dbraw/zinc/26/99/89/1341269989.db2.gz SEHZHPHMBPLAIP-XLIONFOSSA-N 2 2 343.515 3.119 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001031237278 1341301642 /nfs/dbraw/zinc/30/16/42/1341301642.db2.gz YDSBTOWNEWYWKK-FXAWDEMLSA-N 2 2 343.515 3.203 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001031237278 1341301643 /nfs/dbraw/zinc/30/16/43/1341301643.db2.gz YDSBTOWNEWYWKK-FXAWDEMLSA-N 2 2 343.515 3.203 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033191721 1341748543 /nfs/dbraw/zinc/74/85/43/1341748543.db2.gz LDKAGSNFFXLDEV-KRWDZBQOSA-N 2 2 338.455 3.210 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033191721 1341748544 /nfs/dbraw/zinc/74/85/44/1341748544.db2.gz LDKAGSNFFXLDEV-KRWDZBQOSA-N 2 2 338.455 3.210 20 0 EGADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033913709 1342082195 /nfs/dbraw/zinc/08/21/95/1342082195.db2.gz SNDSFUKFLDACCM-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033913709 1342082199 /nfs/dbraw/zinc/08/21/99/1342082199.db2.gz SNDSFUKFLDACCM-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034469182 1342524741 /nfs/dbraw/zinc/52/47/41/1342524741.db2.gz UCCGXNCPHQGZDK-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034469182 1342524743 /nfs/dbraw/zinc/52/47/43/1342524743.db2.gz UCCGXNCPHQGZDK-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034502929 1342560640 /nfs/dbraw/zinc/56/06/40/1342560640.db2.gz KOJROGMIOVFEQH-GOSISDBHSA-N 2 2 344.503 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034502929 1342560645 /nfs/dbraw/zinc/56/06/45/1342560645.db2.gz KOJROGMIOVFEQH-GOSISDBHSA-N 2 2 344.503 3.122 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001034745013 1342732903 /nfs/dbraw/zinc/73/29/03/1342732903.db2.gz CXDMOAXJAGFIAE-MHORFTMASA-N 2 2 346.519 3.186 20 0 EGADLP CCC[N@@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035207013 1343024128 /nfs/dbraw/zinc/02/41/28/1343024128.db2.gz HRLKCCZFGVROFI-UHFFFAOYSA-N 2 2 329.488 3.345 20 0 EGADLP CCC[N@H+]1CCC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035207013 1343024134 /nfs/dbraw/zinc/02/41/34/1343024134.db2.gz HRLKCCZFGVROFI-UHFFFAOYSA-N 2 2 329.488 3.345 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036555203 1343551710 /nfs/dbraw/zinc/55/17/10/1343551710.db2.gz RNGDQDCSOLONNC-APWZRJJASA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036555203 1343551712 /nfs/dbraw/zinc/55/17/12/1343551712.db2.gz RNGDQDCSOLONNC-APWZRJJASA-N 2 2 344.503 3.059 20 0 EGADLP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029699 1343937761 /nfs/dbraw/zinc/93/77/61/1343937761.db2.gz CWROFRXZZLJIOV-DOTOQJQBSA-N 2 2 340.471 3.241 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037247019 1344067000 /nfs/dbraw/zinc/06/70/00/1344067000.db2.gz ZUNYCPQXKSVUER-ZWKOTPCHSA-N 2 2 346.519 3.187 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037848705 1344136093 /nfs/dbraw/zinc/13/60/93/1344136093.db2.gz CPFSVMSOMYNDKD-MJGOQNOKSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037848705 1344136094 /nfs/dbraw/zinc/13/60/94/1344136094.db2.gz CPFSVMSOMYNDKD-MJGOQNOKSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208643 1344921813 /nfs/dbraw/zinc/92/18/13/1344921813.db2.gz FUJIJIKRIUEZKJ-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208643 1344921816 /nfs/dbraw/zinc/92/18/16/1344921816.db2.gz FUJIJIKRIUEZKJ-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208643 1344921823 /nfs/dbraw/zinc/92/18/23/1344921823.db2.gz FUJIJIKRIUEZKJ-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208643 1344921827 /nfs/dbraw/zinc/92/18/27/1344921827.db2.gz FUJIJIKRIUEZKJ-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214241 1344929664 /nfs/dbraw/zinc/92/96/64/1344929664.db2.gz RHVWTEYWJPFDFV-DNVCBOLYSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214241 1344929665 /nfs/dbraw/zinc/92/96/65/1344929665.db2.gz RHVWTEYWJPFDFV-DNVCBOLYSA-N 2 2 340.471 3.288 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039446187 1345071484 /nfs/dbraw/zinc/07/14/84/1345071484.db2.gz WVMOWYYVVYUZDJ-QRQLOZEOSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001039446187 1345071486 /nfs/dbraw/zinc/07/14/86/1345071486.db2.gz WVMOWYYVVYUZDJ-QRQLOZEOSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001039449285 1345073764 /nfs/dbraw/zinc/07/37/64/1345073764.db2.gz LZZYKQUNQUHLQF-IPELMVKDSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001039449285 1345073765 /nfs/dbraw/zinc/07/37/65/1345073765.db2.gz LZZYKQUNQUHLQF-IPELMVKDSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001039449285 1345073768 /nfs/dbraw/zinc/07/37/68/1345073768.db2.gz LZZYKQUNQUHLQF-IPELMVKDSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001039449285 1345073769 /nfs/dbraw/zinc/07/37/69/1345073769.db2.gz LZZYKQUNQUHLQF-IPELMVKDSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423136 1345489890 /nfs/dbraw/zinc/48/98/90/1345489890.db2.gz CQWAUZWONLNQLL-AZUAARDMSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423136 1345489894 /nfs/dbraw/zinc/48/98/94/1345489894.db2.gz CQWAUZWONLNQLL-AZUAARDMSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044695764 1346405600 /nfs/dbraw/zinc/40/56/00/1346405600.db2.gz YHHBWPFPGQCHOQ-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045075573 1346490285 /nfs/dbraw/zinc/49/02/85/1346490285.db2.gz JQINAXMGCUKMOY-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045075573 1346490286 /nfs/dbraw/zinc/49/02/86/1346490286.db2.gz JQINAXMGCUKMOY-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958867 1346793995 /nfs/dbraw/zinc/79/39/95/1346793995.db2.gz YHGSQUWOULZOQF-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958867 1346793996 /nfs/dbraw/zinc/79/39/96/1346793996.db2.gz YHGSQUWOULZOQF-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975785 1346812341 /nfs/dbraw/zinc/81/23/41/1346812341.db2.gz JFKXZTYMSSPJHC-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975785 1346812342 /nfs/dbraw/zinc/81/23/42/1346812342.db2.gz JFKXZTYMSSPJHC-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049783211 1348019774 /nfs/dbraw/zinc/01/97/74/1348019774.db2.gz SITIOSAHFPPEMF-ZYSHUDEJSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049783211 1348019777 /nfs/dbraw/zinc/01/97/77/1348019777.db2.gz SITIOSAHFPPEMF-ZYSHUDEJSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049783211 1348019780 /nfs/dbraw/zinc/01/97/80/1348019780.db2.gz SITIOSAHFPPEMF-ZYSHUDEJSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049783211 1348019783 /nfs/dbraw/zinc/01/97/83/1348019783.db2.gz SITIOSAHFPPEMF-ZYSHUDEJSA-N 2 2 346.519 3.090 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750534 1348661613 /nfs/dbraw/zinc/66/16/13/1348661613.db2.gz JWJUZOWOXUNLKD-MJGOQNOKSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750534 1348661617 /nfs/dbraw/zinc/66/16/17/1348661617.db2.gz JWJUZOWOXUNLKD-MJGOQNOKSA-N 2 2 340.471 3.074 20 0 EGADLP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001052989895 1348789641 /nfs/dbraw/zinc/78/96/41/1348789641.db2.gz CCQYOTLPQSUJPF-XOISHUCVSA-N 2 2 345.531 3.058 20 0 EGADLP C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001052989895 1348789644 /nfs/dbraw/zinc/78/96/44/1348789644.db2.gz CCQYOTLPQSUJPF-XOISHUCVSA-N 2 2 345.531 3.058 20 0 EGADLP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001052989894 1348789953 /nfs/dbraw/zinc/78/99/53/1348789953.db2.gz CCQYOTLPQSUJPF-GESBCVMHSA-N 2 2 345.531 3.058 20 0 EGADLP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001052989894 1348789956 /nfs/dbraw/zinc/78/99/56/1348789956.db2.gz CCQYOTLPQSUJPF-GESBCVMHSA-N 2 2 345.531 3.058 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082833 1348904183 /nfs/dbraw/zinc/90/41/83/1348904183.db2.gz HLYBDLXMLSKXKX-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082833 1348904186 /nfs/dbraw/zinc/90/41/86/1348904186.db2.gz HLYBDLXMLSKXKX-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC[N@@H+]1Cc2ccc(CNC(=O)c3ccn4c(C)c[nH+]c4c3)cc2C1 ZINC001054265198 1349263228 /nfs/dbraw/zinc/26/32/28/1349263228.db2.gz HWBBGHVKNPUPGW-UHFFFAOYSA-N 2 2 348.450 3.298 20 0 EGADLP CCC[N@H+]1Cc2ccc(CNC(=O)c3ccn4c(C)c[nH+]c4c3)cc2C1 ZINC001054265198 1349263232 /nfs/dbraw/zinc/26/32/32/1349263232.db2.gz HWBBGHVKNPUPGW-UHFFFAOYSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054798718 1349465300 /nfs/dbraw/zinc/46/53/00/1349465300.db2.gz YBBBFBKQYSKWKF-LIRRHRJNSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H]([NH2+]CC3CC(C)(C)C3)C2)c(C)[nH+]1 ZINC001054922286 1349514442 /nfs/dbraw/zinc/51/44/42/1349514442.db2.gz LIODEVKNODROOE-KBXCAEBGSA-N 2 2 343.515 3.493 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1F ZINC001183064930 1387257414 /nfs/dbraw/zinc/25/74/14/1387257414.db2.gz BCPCXWCDNITAQX-KBXCAEBGSA-N 2 2 336.451 3.165 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1F ZINC001183064930 1387257417 /nfs/dbraw/zinc/25/74/17/1387257417.db2.gz BCPCXWCDNITAQX-KBXCAEBGSA-N 2 2 336.451 3.165 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1F ZINC001183064932 1387257444 /nfs/dbraw/zinc/25/74/44/1387257444.db2.gz BCPCXWCDNITAQX-KSSFIOAISA-N 2 2 336.451 3.165 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1F ZINC001183064932 1387257446 /nfs/dbraw/zinc/25/74/46/1387257446.db2.gz BCPCXWCDNITAQX-KSSFIOAISA-N 2 2 336.451 3.165 20 0 EGADLP CN(C)c1nc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC001183095209 1387261631 /nfs/dbraw/zinc/26/16/31/1387261631.db2.gz NFSGGNFZQSTOPM-CYBMUJFWSA-N 2 2 342.940 3.074 20 0 EGADLP CN(C)c1nc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC001183095209 1387261633 /nfs/dbraw/zinc/26/16/33/1387261633.db2.gz NFSGGNFZQSTOPM-CYBMUJFWSA-N 2 2 342.940 3.074 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607097 1354793070 /nfs/dbraw/zinc/79/30/70/1354793070.db2.gz MWPOPGOWGQLMOR-WMZOPIPTSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607097 1354793073 /nfs/dbraw/zinc/79/30/73/1354793073.db2.gz MWPOPGOWGQLMOR-WMZOPIPTSA-N 2 2 346.519 3.086 20 0 EGADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609221 1354794379 /nfs/dbraw/zinc/79/43/79/1354794379.db2.gz HIRLOMYGHINXQK-HOCLYGCPSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609221 1354794381 /nfs/dbraw/zinc/79/43/81/1354794381.db2.gz HIRLOMYGHINXQK-HOCLYGCPSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857417 1355468638 /nfs/dbraw/zinc/46/86/38/1355468638.db2.gz YEQUBJIPDDDGJO-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001072857417 1355468640 /nfs/dbraw/zinc/46/86/40/1355468640.db2.gz YEQUBJIPDDDGJO-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001074007429 1356031936 /nfs/dbraw/zinc/03/19/36/1356031936.db2.gz ZHEANMMAMLVSJC-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001074007429 1356031940 /nfs/dbraw/zinc/03/19/40/1356031940.db2.gz ZHEANMMAMLVSJC-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001074034784 1356045809 /nfs/dbraw/zinc/04/58/09/1356045809.db2.gz SKALHXQGXOHSDQ-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CC1CCC1)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001074034784 1356045814 /nfs/dbraw/zinc/04/58/14/1356045814.db2.gz SKALHXQGXOHSDQ-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001074094786 1356079501 /nfs/dbraw/zinc/07/95/01/1356079501.db2.gz LPSYCJSYHJUBJW-QGZVFWFLSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001074094786 1356079505 /nfs/dbraw/zinc/07/95/05/1356079505.db2.gz LPSYCJSYHJUBJW-QGZVFWFLSA-N 2 2 346.519 3.010 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106886 1363626265 /nfs/dbraw/zinc/62/62/65/1363626265.db2.gz QWBOTQAPLCYJLS-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106886 1363626268 /nfs/dbraw/zinc/62/62/68/1363626268.db2.gz QWBOTQAPLCYJLS-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106886 1363626270 /nfs/dbraw/zinc/62/62/70/1363626270.db2.gz QWBOTQAPLCYJLS-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106886 1363626274 /nfs/dbraw/zinc/62/62/74/1363626274.db2.gz QWBOTQAPLCYJLS-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323262430 1387319272 /nfs/dbraw/zinc/31/92/72/1387319272.db2.gz NNAKDTZHAJFOPJ-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323262430 1387319274 /nfs/dbraw/zinc/31/92/74/1387319274.db2.gz NNAKDTZHAJFOPJ-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3[NH2+]CCC3CC3)ccn12 ZINC001085198944 1358431146 /nfs/dbraw/zinc/43/11/46/1358431146.db2.gz QCNBUHDBNNEHTC-QZTJIDSGSA-N 2 2 340.471 3.073 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001086928145 1359253088 /nfs/dbraw/zinc/25/30/88/1359253088.db2.gz WJQBAWAFRSHIMS-BRWVUGGUSA-N 2 2 344.503 3.016 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001086928145 1359253092 /nfs/dbraw/zinc/25/30/92/1359253092.db2.gz WJQBAWAFRSHIMS-BRWVUGGUSA-N 2 2 344.503 3.016 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086945416 1359266505 /nfs/dbraw/zinc/26/65/05/1359266505.db2.gz APCDKGPFUCIRDT-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087173543 1359313445 /nfs/dbraw/zinc/31/34/45/1359313445.db2.gz FDLUCAALOMOUFH-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087173543 1359313449 /nfs/dbraw/zinc/31/34/49/1359313449.db2.gz FDLUCAALOMOUFH-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001088404921 1359877364 /nfs/dbraw/zinc/87/73/64/1359877364.db2.gz KFOGITUFKXFGBW-SJLPKXTDSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412802 1360408949 /nfs/dbraw/zinc/40/89/49/1360408949.db2.gz UENFHMZMLSFUHN-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001089412802 1360408950 /nfs/dbraw/zinc/40/89/50/1360408950.db2.gz UENFHMZMLSFUHN-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412802 1360408951 /nfs/dbraw/zinc/40/89/51/1360408951.db2.gz UENFHMZMLSFUHN-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001089412802 1360408953 /nfs/dbraw/zinc/40/89/53/1360408953.db2.gz UENFHMZMLSFUHN-BRWVUGGUSA-N 2 2 344.503 3.086 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CCCC2CCC2)C1 ZINC001089507907 1360479458 /nfs/dbraw/zinc/47/94/58/1360479458.db2.gz TYLVOMALHLLTTK-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089507907 1360479460 /nfs/dbraw/zinc/47/94/60/1360479460.db2.gz TYLVOMALHLLTTK-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001323889173 1387490672 /nfs/dbraw/zinc/49/06/72/1387490672.db2.gz IXANPRSPSNFNOG-UHFFFAOYSA-N 2 2 327.513 3.096 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660972 1387505564 /nfs/dbraw/zinc/50/55/64/1387505564.db2.gz YGZQQHQAIHFOOZ-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487947 1362155736 /nfs/dbraw/zinc/15/57/36/1362155736.db2.gz RORJAWORCDRGAW-IKGGRYGDSA-N 2 2 347.528 3.111 20 0 EGADLP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487947 1362155737 /nfs/dbraw/zinc/15/57/37/1362155737.db2.gz RORJAWORCDRGAW-IKGGRYGDSA-N 2 2 347.528 3.111 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263696 1363721928 /nfs/dbraw/zinc/72/19/28/1363721928.db2.gz IMKFIZCPTNNINP-AEFFLSMTSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263696 1363721933 /nfs/dbraw/zinc/72/19/33/1363721933.db2.gz IMKFIZCPTNNINP-AEFFLSMTSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099263696 1363721935 /nfs/dbraw/zinc/72/19/35/1363721935.db2.gz IMKFIZCPTNNINP-AEFFLSMTSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099263696 1363721939 /nfs/dbraw/zinc/72/19/39/1363721939.db2.gz IMKFIZCPTNNINP-AEFFLSMTSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099324347 1363750688 /nfs/dbraw/zinc/75/06/88/1363750688.db2.gz KMWRNWQWMJOOBU-GOSISDBHSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001099324347 1363750690 /nfs/dbraw/zinc/75/06/90/1363750690.db2.gz KMWRNWQWMJOOBU-GOSISDBHSA-N 2 2 348.535 3.006 20 0 EGADLP CC1(C)CCC(C[NH2+]C2CC(CNC(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001100293503 1364070797 /nfs/dbraw/zinc/07/07/97/1364070797.db2.gz WQZYKBMYSWDUSM-UHFFFAOYSA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001100428899 1364110357 /nfs/dbraw/zinc/11/03/57/1364110357.db2.gz RFJPGCLSLKWKAD-ABHNRTSZSA-N 2 2 348.535 3.391 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001101579342 1364632240 /nfs/dbraw/zinc/63/22/40/1364632240.db2.gz CQKHHHRTIHDLPD-KRWDZBQOSA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584133 1364635559 /nfs/dbraw/zinc/63/55/59/1364635559.db2.gz DLEGORYQCPNPAK-WAYWQWQTSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414787 1365045475 /nfs/dbraw/zinc/04/54/75/1365045475.db2.gz NXLPVEYSVIZVCI-ZIFCJYIRSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414787 1365045478 /nfs/dbraw/zinc/04/54/78/1365045478.db2.gz NXLPVEYSVIZVCI-ZIFCJYIRSA-N 2 2 346.519 3.099 20 0 EGADLP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118933 1365392662 /nfs/dbraw/zinc/39/26/62/1365392662.db2.gz WKQXZMCXJPDUSF-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001103118933 1365392665 /nfs/dbraw/zinc/39/26/65/1365392665.db2.gz WKQXZMCXJPDUSF-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](CC[C@H](C)F)C[C@H]2C)c(C)[nH+]1 ZINC001103253694 1365458337 /nfs/dbraw/zinc/45/83/37/1365458337.db2.gz HWXQEFFRHWVIEL-RVKKMQEKSA-N 2 2 349.494 3.443 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](CC[C@H](C)F)C[C@H]2C)c(C)[nH+]1 ZINC001103253694 1365458339 /nfs/dbraw/zinc/45/83/39/1365458339.db2.gz HWXQEFFRHWVIEL-RVKKMQEKSA-N 2 2 349.494 3.443 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](CC[C@@H](C)F)C[C@H]2C)c(C)[nH+]1 ZINC001103253693 1365458616 /nfs/dbraw/zinc/45/86/16/1365458616.db2.gz HWXQEFFRHWVIEL-IIDMSEBBSA-N 2 2 349.494 3.443 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]2C)c(C)[nH+]1 ZINC001103253693 1365458618 /nfs/dbraw/zinc/45/86/18/1365458618.db2.gz HWXQEFFRHWVIEL-IIDMSEBBSA-N 2 2 349.494 3.443 20 0 EGADLP C[C@@H](CC(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103478907 1365586748 /nfs/dbraw/zinc/58/67/48/1365586748.db2.gz CXISDDMXLJABOC-FGTMMUONSA-N 2 2 348.535 3.345 20 0 EGADLP C[C@@H](CC(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103478907 1365586752 /nfs/dbraw/zinc/58/67/52/1365586752.db2.gz CXISDDMXLJABOC-FGTMMUONSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)[nH+]1 ZINC001324746821 1387759436 /nfs/dbraw/zinc/75/94/36/1387759436.db2.gz ODDSGJNVWNKUMW-XDHUDOTRSA-N 2 2 343.496 3.204 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)[nH+]1 ZINC001324746821 1387759437 /nfs/dbraw/zinc/75/94/37/1387759437.db2.gz ODDSGJNVWNKUMW-XDHUDOTRSA-N 2 2 343.496 3.204 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001104435792 1366028189 /nfs/dbraw/zinc/02/81/89/1366028189.db2.gz GJZFRUKGGSXZMA-UHZVSMRUSA-N 2 2 349.906 3.447 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788612 1387800271 /nfs/dbraw/zinc/80/02/71/1387800271.db2.gz PMNCLTSCDDLLBZ-PKOBYXMFSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433823 1367118547 /nfs/dbraw/zinc/11/85/47/1367118547.db2.gz ZPTRQWAMXNCDTO-XWSJACJDSA-N 2 2 344.503 3.158 20 0 EGADLP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433823 1367118550 /nfs/dbraw/zinc/11/85/50/1367118550.db2.gz ZPTRQWAMXNCDTO-XWSJACJDSA-N 2 2 344.503 3.158 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001190884510 1367374642 /nfs/dbraw/zinc/37/46/42/1367374642.db2.gz WRSQOKGXTDSHPJ-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001190884510 1367374646 /nfs/dbraw/zinc/37/46/46/1367374646.db2.gz WRSQOKGXTDSHPJ-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933851 1367384953 /nfs/dbraw/zinc/38/49/53/1367384953.db2.gz LZXDOZQOPWJIBQ-MRXNPFEDSA-N 2 2 328.460 3.290 20 0 EGADLP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933851 1367384955 /nfs/dbraw/zinc/38/49/55/1367384955.db2.gz LZXDOZQOPWJIBQ-MRXNPFEDSA-N 2 2 328.460 3.290 20 0 EGADLP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001108687624 1367532866 /nfs/dbraw/zinc/53/28/66/1367532866.db2.gz GKSHMMGQYWWXOZ-JQHSSLGASA-N 2 2 340.471 3.026 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699537 1367540661 /nfs/dbraw/zinc/54/06/61/1367540661.db2.gz FBDGARJBUWSVGJ-WWEPYPCMSA-N 2 2 344.503 3.058 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699537 1367540667 /nfs/dbraw/zinc/54/06/67/1367540667.db2.gz FBDGARJBUWSVGJ-WWEPYPCMSA-N 2 2 344.503 3.058 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699323 1367937511 /nfs/dbraw/zinc/93/75/11/1367937511.db2.gz LOXXMKKTJYLVCI-AKHDSKFASA-N 2 2 346.519 3.382 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699323 1367937515 /nfs/dbraw/zinc/93/75/15/1367937515.db2.gz LOXXMKKTJYLVCI-AKHDSKFASA-N 2 2 346.519 3.382 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773672 1368455596 /nfs/dbraw/zinc/45/55/96/1368455596.db2.gz JANGZBXJOYKARL-WUPMPMNESA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001111773672 1368455602 /nfs/dbraw/zinc/45/56/02/1368455602.db2.gz JANGZBXJOYKARL-WUPMPMNESA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773672 1368455604 /nfs/dbraw/zinc/45/56/04/1368455604.db2.gz JANGZBXJOYKARL-WUPMPMNESA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001111773672 1368455607 /nfs/dbraw/zinc/45/56/07/1368455607.db2.gz JANGZBXJOYKARL-WUPMPMNESA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001196242428 1368574436 /nfs/dbraw/zinc/57/44/36/1368574436.db2.gz IDSFXFJLVNQNKU-LJQANCHMSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001196242428 1368574438 /nfs/dbraw/zinc/57/44/38/1368574438.db2.gz IDSFXFJLVNQNKU-LJQANCHMSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242173 1368574684 /nfs/dbraw/zinc/57/46/84/1368574684.db2.gz FPNNOAUTHHARDS-MSOLQXFVSA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242173 1368574686 /nfs/dbraw/zinc/57/46/86/1368574686.db2.gz FPNNOAUTHHARDS-MSOLQXFVSA-N 2 2 334.508 3.051 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001112482225 1368879818 /nfs/dbraw/zinc/87/98/18/1368879818.db2.gz IVXAPISQMNOIRC-RXVVDRJESA-N 2 2 343.515 3.495 20 0 EGADLP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537380 1368919040 /nfs/dbraw/zinc/91/90/40/1368919040.db2.gz DCLQEPXNGBTCQQ-BJLQDIEVSA-N 2 2 344.503 3.019 20 0 EGADLP CCC(CC)C[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112991497 1369126556 /nfs/dbraw/zinc/12/65/56/1369126556.db2.gz NJUNSALRYRPFEC-SFHVURJKSA-N 2 2 334.508 3.051 20 0 EGADLP CCCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)cc1 ZINC001113032854 1369153653 /nfs/dbraw/zinc/15/36/53/1369153653.db2.gz KQNBWYQLLOGIKH-UHFFFAOYSA-N 2 2 345.531 3.014 20 0 EGADLP CCCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC2)cc1 ZINC001113032854 1369153656 /nfs/dbraw/zinc/15/36/56/1369153656.db2.gz KQNBWYQLLOGIKH-UHFFFAOYSA-N 2 2 345.531 3.014 20 0 EGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355729 1369367186 /nfs/dbraw/zinc/36/71/86/1369367186.db2.gz LDMJEVUJNSNDGA-INIZCTEOSA-N 2 2 349.494 3.009 20 0 EGADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355729 1369367188 /nfs/dbraw/zinc/36/71/88/1369367188.db2.gz LDMJEVUJNSNDGA-INIZCTEOSA-N 2 2 349.494 3.009 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183044 1369491280 /nfs/dbraw/zinc/49/12/80/1369491280.db2.gz RXRLNFRJUQWQPU-SJLPKXTDSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182542 1369491669 /nfs/dbraw/zinc/49/16/69/1369491669.db2.gz IGTTWZZPOWOEPA-SFHVURJKSA-N 2 2 334.508 3.241 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510093 1369561262 /nfs/dbraw/zinc/56/12/62/1369561262.db2.gz XDJPVLPEFFDZPJ-QGPMSJSTSA-N 2 2 337.533 3.020 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510093 1369561265 /nfs/dbraw/zinc/56/12/65/1369561265.db2.gz XDJPVLPEFFDZPJ-QGPMSJSTSA-N 2 2 337.533 3.020 20 0 EGADLP CC[C@@H](C)C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510093 1369561270 /nfs/dbraw/zinc/56/12/70/1369561270.db2.gz XDJPVLPEFFDZPJ-QGPMSJSTSA-N 2 2 337.533 3.020 20 0 EGADLP CC[C@@H](C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201510093 1369561275 /nfs/dbraw/zinc/56/12/75/1369561275.db2.gz XDJPVLPEFFDZPJ-QGPMSJSTSA-N 2 2 337.533 3.020 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CCC(C)C)CC[C@@H]3C2)cs1 ZINC001201619554 1369590898 /nfs/dbraw/zinc/59/08/98/1369590898.db2.gz ABTWFNNPVMXCLG-SJLPKXTDSA-N 2 2 337.533 3.020 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CCC(C)C)CC[C@@H]3C2)cs1 ZINC001201619554 1369590904 /nfs/dbraw/zinc/59/09/04/1369590904.db2.gz ABTWFNNPVMXCLG-SJLPKXTDSA-N 2 2 337.533 3.020 20 0 EGADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CCC(C)C)CC[C@@H]3C2)cs1 ZINC001201619554 1369590908 /nfs/dbraw/zinc/59/09/08/1369590908.db2.gz ABTWFNNPVMXCLG-SJLPKXTDSA-N 2 2 337.533 3.020 20 0 EGADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CCC(C)C)CC[C@@H]3C2)cs1 ZINC001201619554 1369590911 /nfs/dbraw/zinc/59/09/11/1369590911.db2.gz ABTWFNNPVMXCLG-SJLPKXTDSA-N 2 2 337.533 3.020 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446893 1369774294 /nfs/dbraw/zinc/77/42/94/1369774294.db2.gz GNVSRCHJJSJMQG-RDJZCZTQSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)O1 ZINC001202690719 1369852895 /nfs/dbraw/zinc/85/28/95/1369852895.db2.gz CLFTXIKCPJNKMX-GDBMZVCRSA-N 2 2 349.862 3.273 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC001325734623 1388036633 /nfs/dbraw/zinc/03/66/33/1388036633.db2.gz SRZLVCPLTRTHAT-UHFFFAOYSA-N 2 2 333.505 3.160 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC001325734623 1388036639 /nfs/dbraw/zinc/03/66/39/1388036639.db2.gz SRZLVCPLTRTHAT-UHFFFAOYSA-N 2 2 333.505 3.160 20 0 EGADLP c1cc2nonc2c(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001203130099 1369992193 /nfs/dbraw/zinc/99/21/93/1369992193.db2.gz NFGNPAXWSSGDPZ-UHFFFAOYSA-N 2 2 326.444 3.063 20 0 EGADLP c1cc2nonc2c(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001203130099 1369992199 /nfs/dbraw/zinc/99/21/99/1369992199.db2.gz NFGNPAXWSSGDPZ-UHFFFAOYSA-N 2 2 326.444 3.063 20 0 EGADLP Fc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001203348238 1370093116 /nfs/dbraw/zinc/09/31/16/1370093116.db2.gz NFCGLOCUFREMTH-UHFFFAOYSA-N 2 2 344.430 3.286 20 0 EGADLP c1c[nH+]c(Nc2ccc(C[NH+]3CCCC3)cc2)c(N2CCOCC2)c1 ZINC001203796282 1370269195 /nfs/dbraw/zinc/26/91/95/1370269195.db2.gz SOVLMORBFDGEBP-UHFFFAOYSA-N 2 2 338.455 3.258 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OC)c4ccccc34)C[C@@H]2C1 ZINC001203993704 1370342655 /nfs/dbraw/zinc/34/26/55/1370342655.db2.gz MYUSIAJDZCCQQY-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OC)c4ccccc34)C[C@@H]2C1 ZINC001203993704 1370342660 /nfs/dbraw/zinc/34/26/60/1370342660.db2.gz MYUSIAJDZCCQQY-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(OC)c4ccccc34)C[C@@H]2C1 ZINC001203993704 1370342665 /nfs/dbraw/zinc/34/26/65/1370342665.db2.gz MYUSIAJDZCCQQY-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(OC)c4ccccc34)C[C@@H]2C1 ZINC001203993704 1370342670 /nfs/dbraw/zinc/34/26/70/1370342670.db2.gz MYUSIAJDZCCQQY-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP Cn1c[nH+]cc1CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001204386757 1370462823 /nfs/dbraw/zinc/46/28/23/1370462823.db2.gz ZCCVKISQBCSMIM-UHFFFAOYSA-N 2 2 332.879 3.170 20 0 EGADLP Cn1c[nH+]cc1CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001204386757 1370462826 /nfs/dbraw/zinc/46/28/26/1370462826.db2.gz ZCCVKISQBCSMIM-UHFFFAOYSA-N 2 2 332.879 3.170 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001204652710 1370537507 /nfs/dbraw/zinc/53/75/07/1370537507.db2.gz RJZJNZSHQSJKFV-UHFFFAOYSA-N 2 2 342.483 3.314 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001204652710 1370537509 /nfs/dbraw/zinc/53/75/09/1370537509.db2.gz RJZJNZSHQSJKFV-UHFFFAOYSA-N 2 2 342.483 3.314 20 0 EGADLP [NH3+]CC[C@@H]1C[N@H+](Cc2c(Br)ccc3ccccc32)CCO1 ZINC001204757488 1370568401 /nfs/dbraw/zinc/56/84/01/1370568401.db2.gz YDZMYKUIRVLQQK-CQSZACIVSA-N 2 2 349.272 3.152 20 0 EGADLP [NH3+]CC[C@@H]1C[N@@H+](Cc2c(Br)ccc3ccccc32)CCO1 ZINC001204757488 1370568405 /nfs/dbraw/zinc/56/84/05/1370568405.db2.gz YDZMYKUIRVLQQK-CQSZACIVSA-N 2 2 349.272 3.152 20 0 EGADLP CCOc1c(Br)cc(C)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205155697 1370665343 /nfs/dbraw/zinc/66/53/43/1370665343.db2.gz CAZOLRDZTOZIKC-GXTWGEPZSA-N 2 2 341.293 3.183 20 0 EGADLP CCOc1c(Br)cc(C)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205155697 1370665348 /nfs/dbraw/zinc/66/53/48/1370665348.db2.gz CAZOLRDZTOZIKC-GXTWGEPZSA-N 2 2 341.293 3.183 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)ccc1F ZINC001205170999 1370669420 /nfs/dbraw/zinc/66/94/20/1370669420.db2.gz BKQNJKOTMUCMRL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)ccc1F ZINC001205170999 1370669424 /nfs/dbraw/zinc/66/94/24/1370669424.db2.gz BKQNJKOTMUCMRL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)ccc1F ZINC001205170999 1370669426 /nfs/dbraw/zinc/66/94/26/1370669426.db2.gz BKQNJKOTMUCMRL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)ccc1F ZINC001205170999 1370669428 /nfs/dbraw/zinc/66/94/28/1370669428.db2.gz BKQNJKOTMUCMRL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205272940 1370702872 /nfs/dbraw/zinc/70/28/72/1370702872.db2.gz AUXUNZDTUFDCCK-FQEVSTJZSA-N 2 2 343.446 3.099 20 0 EGADLP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205272940 1370702878 /nfs/dbraw/zinc/70/28/78/1370702878.db2.gz AUXUNZDTUFDCCK-FQEVSTJZSA-N 2 2 343.446 3.099 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280904 1370704852 /nfs/dbraw/zinc/70/48/52/1370704852.db2.gz LKVDVNJHULDLKX-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205280904 1370704857 /nfs/dbraw/zinc/70/48/57/1370704857.db2.gz LKVDVNJHULDLKX-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205314787 1370718909 /nfs/dbraw/zinc/71/89/09/1370718909.db2.gz CHEGBURTPGAEIC-RISCZKNCSA-N 2 2 341.293 3.183 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205314787 1370718912 /nfs/dbraw/zinc/71/89/12/1370718912.db2.gz CHEGBURTPGAEIC-RISCZKNCSA-N 2 2 341.293 3.183 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765991 1370751142 /nfs/dbraw/zinc/75/11/42/1370751142.db2.gz OYGVZNAJZJNJCW-JKSUJKDBSA-N 2 2 334.508 3.043 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765991 1370751144 /nfs/dbraw/zinc/75/11/44/1370751144.db2.gz OYGVZNAJZJNJCW-JKSUJKDBSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC(C[NH2+]CCCC(C)C)CC2)c[nH+]1 ZINC001205512399 1370776386 /nfs/dbraw/zinc/77/63/86/1370776386.db2.gz KWQMFRGAMNPBTM-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2[nH]1 ZINC001205576759 1370797752 /nfs/dbraw/zinc/79/77/52/1370797752.db2.gz DSQXIJSMLAZBMZ-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP CC[C@@H](F)C[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205731822 1370854697 /nfs/dbraw/zinc/85/46/97/1370854697.db2.gz IELFJFBPHVPWCM-QGZVFWFLSA-N 2 2 335.467 3.197 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)CC[C@H]1F ZINC001206186014 1370986028 /nfs/dbraw/zinc/98/60/28/1370986028.db2.gz PSVGTJTXVPRMSB-KGLIPLIRSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)CC[C@H]1F ZINC001206186014 1370986033 /nfs/dbraw/zinc/98/60/33/1370986033.db2.gz PSVGTJTXVPRMSB-KGLIPLIRSA-N 2 2 340.240 3.192 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)cc1Br ZINC001206213857 1370994984 /nfs/dbraw/zinc/99/49/84/1370994984.db2.gz WAXARIJSSBZPNE-HUUCEWRRSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)cc1Br ZINC001206213857 1370994987 /nfs/dbraw/zinc/99/49/87/1370994987.db2.gz WAXARIJSSBZPNE-HUUCEWRRSA-N 2 2 329.257 3.327 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2ccc(F)c(Br)c2F)CC1 ZINC001206506508 1371076491 /nfs/dbraw/zinc/07/64/91/1371076491.db2.gz DKNPTJKDEMWHEJ-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c(c1)[C@H]([NH3+])CC2 ZINC001206540482 1371087403 /nfs/dbraw/zinc/08/74/03/1371087403.db2.gz SQYMZRBPOWJJPF-HXUWFJFHSA-N 2 2 338.451 3.140 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541764 1371088018 /nfs/dbraw/zinc/08/80/18/1371088018.db2.gz JRWLRFCQHVEJIX-RTWAWAEBSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541764 1371088025 /nfs/dbraw/zinc/08/80/25/1371088025.db2.gz JRWLRFCQHVEJIX-RTWAWAEBSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541764 1371088027 /nfs/dbraw/zinc/08/80/27/1371088027.db2.gz JRWLRFCQHVEJIX-RTWAWAEBSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541764 1371088035 /nfs/dbraw/zinc/08/80/35/1371088035.db2.gz JRWLRFCQHVEJIX-RTWAWAEBSA-N 3 2 329.532 3.350 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1[C@@H](C)[NH3+] ZINC001206546012 1371089819 /nfs/dbraw/zinc/08/98/19/1371089819.db2.gz IKMGEBQZLSDVPV-OAHLLOKOSA-N 2 2 326.440 3.214 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1OC ZINC001206550293 1371091039 /nfs/dbraw/zinc/09/10/39/1371091039.db2.gz ZQHAZVYXWUZMEC-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1OC ZINC001206550293 1371091045 /nfs/dbraw/zinc/09/10/45/1371091045.db2.gz ZQHAZVYXWUZMEC-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc4cccc(C)c4o3)CC2)CC1 ZINC001118051655 1371125701 /nfs/dbraw/zinc/12/57/01/1371125701.db2.gz QYHYJAOPNFLDDZ-UHFFFAOYSA-N 2 2 342.487 3.133 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc4cccc(C)c4o3)CC2)CC1 ZINC001118051655 1371125705 /nfs/dbraw/zinc/12/57/05/1371125705.db2.gz QYHYJAOPNFLDDZ-UHFFFAOYSA-N 2 2 342.487 3.133 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360417 1371373373 /nfs/dbraw/zinc/37/33/73/1371373373.db2.gz YWTKPBVSCGKSCB-IRXDYDNUSA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360417 1371373375 /nfs/dbraw/zinc/37/33/75/1371373375.db2.gz YWTKPBVSCGKSCB-IRXDYDNUSA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360417 1371373377 /nfs/dbraw/zinc/37/33/77/1371373377.db2.gz YWTKPBVSCGKSCB-IRXDYDNUSA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H]1CCOC(C)(C)C1)[C@H]2C ZINC001207360417 1371373381 /nfs/dbraw/zinc/37/33/81/1371373381.db2.gz YWTKPBVSCGKSCB-IRXDYDNUSA-N 2 2 348.535 3.305 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207421034 1371388727 /nfs/dbraw/zinc/38/87/27/1371388727.db2.gz DASUEKDKPRXPSN-ROUUACIJSA-N 2 2 341.886 3.341 20 0 EGADLP CCOC(=O)C1([N@H+](CCC2CC[NH+](C)CC2)Cc2ccccc2)CC1 ZINC001207489264 1371411876 /nfs/dbraw/zinc/41/18/76/1371411876.db2.gz XJVSXAQLAZFBTJ-UHFFFAOYSA-N 2 2 344.499 3.316 20 0 EGADLP CCOC(=O)C1([N@@H+](CCC2CC[NH+](C)CC2)Cc2ccccc2)CC1 ZINC001207489264 1371411879 /nfs/dbraw/zinc/41/18/79/1371411879.db2.gz XJVSXAQLAZFBTJ-UHFFFAOYSA-N 2 2 344.499 3.316 20 0 EGADLP Fc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207499324 1371416466 /nfs/dbraw/zinc/41/64/66/1371416466.db2.gz GWKWGIZLTHIMFI-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP Fc1ccccc1CC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207499324 1371416469 /nfs/dbraw/zinc/41/64/69/1371416469.db2.gz GWKWGIZLTHIMFI-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207499324 1371416472 /nfs/dbraw/zinc/41/64/72/1371416472.db2.gz GWKWGIZLTHIMFI-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207499324 1371416475 /nfs/dbraw/zinc/41/64/75/1371416475.db2.gz GWKWGIZLTHIMFI-TZIWHRDSSA-N 2 2 346.490 3.191 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](CCc3ccccc3Br)C[C@@H]2C1 ZINC001207534515 1371427447 /nfs/dbraw/zinc/42/74/47/1371427447.db2.gz WHRQYQCGRLVLAE-HOTGVXAUSA-N 2 2 337.305 3.265 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625306 1371456586 /nfs/dbraw/zinc/45/65/86/1371456586.db2.gz OCZVTNVFWYTZGS-RZFLPCETSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625306 1371456589 /nfs/dbraw/zinc/45/65/89/1371456589.db2.gz OCZVTNVFWYTZGS-RZFLPCETSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625306 1371456592 /nfs/dbraw/zinc/45/65/92/1371456592.db2.gz OCZVTNVFWYTZGS-RZFLPCETSA-N 2 2 329.513 3.252 20 0 EGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC[C@@H]32)n1 ZINC001207625306 1371456595 /nfs/dbraw/zinc/45/65/95/1371456595.db2.gz OCZVTNVFWYTZGS-RZFLPCETSA-N 2 2 329.513 3.252 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC2)c1 ZINC001207683321 1371473693 /nfs/dbraw/zinc/47/36/93/1371473693.db2.gz PYWNGAUIWICURI-KRWDZBQOSA-N 2 2 349.519 3.180 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001207831961 1371514360 /nfs/dbraw/zinc/51/43/60/1371514360.db2.gz IKBRXRVJTMUUGX-RTBURBONSA-N 2 2 333.479 3.177 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365613 1371550058 /nfs/dbraw/zinc/55/00/58/1371550058.db2.gz UKWLQRUBVHQPHK-MSOLQXFVSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365613 1371550062 /nfs/dbraw/zinc/55/00/62/1371550062.db2.gz UKWLQRUBVHQPHK-MSOLQXFVSA-N 2 2 346.519 3.236 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439171 1371577818 /nfs/dbraw/zinc/57/78/18/1371577818.db2.gz FCJYSZIKOYLJCZ-UYLIBMQOSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439171 1371577820 /nfs/dbraw/zinc/57/78/20/1371577820.db2.gz FCJYSZIKOYLJCZ-UYLIBMQOSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440637 1371578970 /nfs/dbraw/zinc/57/89/70/1371578970.db2.gz QHNNZCRKMPNYIW-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440637 1371578974 /nfs/dbraw/zinc/57/89/74/1371578974.db2.gz QHNNZCRKMPNYIW-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP C[NH+]1CCC(C)(C[N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001208112220 1371598535 /nfs/dbraw/zinc/59/85/35/1371598535.db2.gz TTXQMSZUAKMWBT-UHFFFAOYSA-N 2 2 340.446 3.330 20 0 EGADLP C[NH+]1CCC(C)(C[N@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001208112220 1371598538 /nfs/dbraw/zinc/59/85/38/1371598538.db2.gz TTXQMSZUAKMWBT-UHFFFAOYSA-N 2 2 340.446 3.330 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168333 1371615153 /nfs/dbraw/zinc/61/51/53/1371615153.db2.gz HJHRRBBPQSAWGG-QZTJIDSGSA-N 2 2 328.504 3.287 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168333 1371615160 /nfs/dbraw/zinc/61/51/60/1371615160.db2.gz HJHRRBBPQSAWGG-QZTJIDSGSA-N 2 2 328.504 3.287 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386345 1371746926 /nfs/dbraw/zinc/74/69/26/1371746926.db2.gz BLZICJOSOYCNRJ-QZTJIDSGSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208419855 1371760974 /nfs/dbraw/zinc/76/09/74/1371760974.db2.gz CYPCBQJIBOJPDD-NVXWUHKLSA-N 2 2 342.487 3.439 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421130 1371761916 /nfs/dbraw/zinc/76/19/16/1371761916.db2.gz WPYSRHYCLCSLKS-CWDCEQMOSA-N 2 2 326.444 3.113 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421132 1371762120 /nfs/dbraw/zinc/76/21/20/1371762120.db2.gz WPYSRHYCLCSLKS-QDLOVBKTSA-N 2 2 326.444 3.113 20 0 EGADLP CCOc1ccc(C(=O)C2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208606369 1371838051 /nfs/dbraw/zinc/83/80/51/1371838051.db2.gz FHNQETCGXDBERN-KRWDZBQOSA-N 2 2 344.499 3.322 20 0 EGADLP CCOc1ccc(C(=O)C2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208606369 1371838060 /nfs/dbraw/zinc/83/80/60/1371838060.db2.gz FHNQETCGXDBERN-KRWDZBQOSA-N 2 2 344.499 3.322 20 0 EGADLP c1cc(OC2CC[NH+](C[C@H]3COC4(CCCCC4)O3)CC2)cc[nH+]1 ZINC001208636220 1371848529 /nfs/dbraw/zinc/84/85/29/1371848529.db2.gz NZVCGCKNTKSWSV-SFHVURJKSA-N 2 2 332.444 3.001 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208741401 1371881070 /nfs/dbraw/zinc/88/10/70/1371881070.db2.gz YKFIDKWBZHRLRH-IBGZPJMESA-N 2 2 336.907 3.458 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001208741401 1371881076 /nfs/dbraw/zinc/88/10/76/1371881076.db2.gz YKFIDKWBZHRLRH-IBGZPJMESA-N 2 2 336.907 3.458 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121212293 1371893660 /nfs/dbraw/zinc/89/36/60/1371893660.db2.gz IJMNBUFRTMSNPR-SNAWJCMRSA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121212293 1371893664 /nfs/dbraw/zinc/89/36/64/1371893664.db2.gz IJMNBUFRTMSNPR-SNAWJCMRSA-N 2 2 344.503 3.106 20 0 EGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1NC1=CC[N@H+](C)CC1 ZINC001208803402 1371900992 /nfs/dbraw/zinc/90/09/92/1371900992.db2.gz UQCIEZFYBUYZTH-UHFFFAOYSA-N 2 2 335.249 3.345 20 0 EGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1NC1=CC[N@@H+](C)CC1 ZINC001208803402 1371900995 /nfs/dbraw/zinc/90/09/95/1371900995.db2.gz UQCIEZFYBUYZTH-UHFFFAOYSA-N 2 2 335.249 3.345 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001208984862 1371968307 /nfs/dbraw/zinc/96/83/07/1371968307.db2.gz IREUUOHAJOWOTF-BRWVUGGUSA-N 2 2 334.508 3.097 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001208984862 1371968311 /nfs/dbraw/zinc/96/83/11/1371968311.db2.gz IREUUOHAJOWOTF-BRWVUGGUSA-N 2 2 334.508 3.097 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985261 1371968492 /nfs/dbraw/zinc/96/84/92/1371968492.db2.gz OTXQOFDMZWVYFJ-LJZRZTQLSA-N 2 2 332.492 3.017 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985261 1371968499 /nfs/dbraw/zinc/96/84/99/1371968499.db2.gz OTXQOFDMZWVYFJ-LJZRZTQLSA-N 2 2 332.492 3.017 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]CC[C@@H](C)F)C3)c(C)[nH+]1 ZINC001121444127 1371977041 /nfs/dbraw/zinc/97/70/41/1371977041.db2.gz WFJCMPRSGIJDDO-KSMRAORZSA-N 2 2 347.478 3.386 20 0 EGADLP COCC[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001209214959 1372040544 /nfs/dbraw/zinc/04/05/44/1372040544.db2.gz JLCCIQBPSQMEQG-UHFFFAOYSA-N 2 2 336.479 3.430 20 0 EGADLP COCC[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001209214959 1372040549 /nfs/dbraw/zinc/04/05/49/1372040549.db2.gz JLCCIQBPSQMEQG-UHFFFAOYSA-N 2 2 336.479 3.430 20 0 EGADLP CCOC(=O)CCCCCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209344996 1372072830 /nfs/dbraw/zinc/07/28/30/1372072830.db2.gz AIOSBFDJSYCPHD-UHFFFAOYSA-N 2 2 334.460 3.438 20 0 EGADLP Brc1ccc2c(C3C[NH+](Cc4cncs4)C3)[nH+]cn2c1 ZINC001209549593 1372134175 /nfs/dbraw/zinc/13/41/75/1372134175.db2.gz ARCPYZBJTWWLED-UHFFFAOYSA-N 2 2 349.257 3.153 20 0 EGADLP CC(C)[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC001209680470 1372168132 /nfs/dbraw/zinc/16/81/32/1372168132.db2.gz KSKAMNKVQHLKSL-UHFFFAOYSA-N 2 2 343.515 3.227 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC001209680470 1372168137 /nfs/dbraw/zinc/16/81/37/1372168137.db2.gz KSKAMNKVQHLKSL-UHFFFAOYSA-N 2 2 343.515 3.227 20 0 EGADLP C[NH2+]CC1C[NH+](Cc2ccc(N(C)c3ccc(OC)cc3)cc2)C1 ZINC001210561215 1372378874 /nfs/dbraw/zinc/37/88/74/1372378874.db2.gz IUVJKUFGHYLUPD-UHFFFAOYSA-N 2 2 325.456 3.114 20 0 EGADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1ccccc1-n1cc[nH+]c1 ZINC001213893908 1372975414 /nfs/dbraw/zinc/97/54/14/1372975414.db2.gz YIGRAUXYAYQMGU-UHFFFAOYSA-N 2 2 349.438 3.034 20 0 EGADLP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917321 1373141754 /nfs/dbraw/zinc/14/17/54/1373141754.db2.gz VRFAKTFSZRGZDS-GUDVDZBRSA-N 2 2 348.535 3.487 20 0 EGADLP [NH3+][C@H](c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697332 1373489917 /nfs/dbraw/zinc/48/99/17/1373489917.db2.gz HEEGSTZVRQHOAQ-ROUUACIJSA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+][C@H](c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697332 1373489920 /nfs/dbraw/zinc/48/99/20/1373489920.db2.gz HEEGSTZVRQHOAQ-ROUUACIJSA-N 2 2 334.423 3.107 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H]2CCc3c2cccc3F)c(C)[nH+]1 ZINC001131563126 1373721316 /nfs/dbraw/zinc/72/13/16/1373721316.db2.gz ZSOPHXCPAALOCI-GOSISDBHSA-N 2 2 341.430 3.153 20 0 EGADLP CCc1ccccc1C[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560643 1373721355 /nfs/dbraw/zinc/72/13/55/1373721355.db2.gz XBOMINJZKFGNGR-UHFFFAOYSA-N 2 2 325.456 3.089 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222278063 1373823861 /nfs/dbraw/zinc/82/38/61/1373823861.db2.gz WUMGMNZCHIUJPH-LJQANCHMSA-N 2 2 344.890 3.491 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222278063 1373823862 /nfs/dbraw/zinc/82/38/62/1373823862.db2.gz WUMGMNZCHIUJPH-LJQANCHMSA-N 2 2 344.890 3.491 20 0 EGADLP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222293138 1373826458 /nfs/dbraw/zinc/82/64/58/1373826458.db2.gz PJQDGPFWMJLAPT-UHFFFAOYSA-N 3 2 348.560 3.027 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132089956 1375140019 /nfs/dbraw/zinc/14/00/19/1375140019.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132089956 1375140021 /nfs/dbraw/zinc/14/00/21/1375140021.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132089956 1375140024 /nfs/dbraw/zinc/14/00/24/1375140024.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132089956 1375140025 /nfs/dbraw/zinc/14/00/25/1375140025.db2.gz BDRLUZRBHIPWKS-WXFDERKXSA-N 2 2 332.492 3.058 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123826 1375159263 /nfs/dbraw/zinc/15/92/63/1375159263.db2.gz JXIVHOYJJCAWKS-QZTJIDSGSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123826 1375159271 /nfs/dbraw/zinc/15/92/71/1375159271.db2.gz JXIVHOYJJCAWKS-QZTJIDSGSA-N 2 2 348.535 3.332 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001226687166 1375308672 /nfs/dbraw/zinc/30/86/72/1375308672.db2.gz QOVOVFGPKLEVHZ-RTBURBONSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001226687166 1375308677 /nfs/dbraw/zinc/30/86/77/1375308677.db2.gz QOVOVFGPKLEVHZ-RTBURBONSA-N 2 2 346.519 3.330 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001227986677 1375498645 /nfs/dbraw/zinc/49/86/45/1375498645.db2.gz JHAUJGUNXCCZRJ-OAHLLOKOSA-N 2 2 342.487 3.439 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](CCC2CCCCCC2)CC1 ZINC001228534074 1375590691 /nfs/dbraw/zinc/59/06/91/1375590691.db2.gz ABTRPEFXYJZBCD-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP CCC/C=C/CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229384177 1375824103 /nfs/dbraw/zinc/82/41/03/1375824103.db2.gz BHCQKGUUUGLLEH-FUTAKVPZSA-N 2 2 332.492 3.161 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230338519 1376003213 /nfs/dbraw/zinc/00/32/13/1376003213.db2.gz SEZAGWNISIQLCV-QZTJIDSGSA-N 2 2 334.508 3.261 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606532 1376098022 /nfs/dbraw/zinc/09/80/22/1376098022.db2.gz YAKXKMRUNZSSFF-IBGZPJMESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606532 1376098027 /nfs/dbraw/zinc/09/80/27/1376098027.db2.gz YAKXKMRUNZSSFF-IBGZPJMESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CCC1=CCCCC1 ZINC001134227433 1376424171 /nfs/dbraw/zinc/42/41/71/1376424171.db2.gz HCZRZMWRENYSPM-CVEARBPZSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134231070 1376425058 /nfs/dbraw/zinc/42/50/58/1376425058.db2.gz ZIBYXPBUUQIGQV-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1cccc(F)c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001232490164 1376467504 /nfs/dbraw/zinc/46/75/04/1376467504.db2.gz OQBAWLRQCPRVBU-ROUUACIJSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545812 1376584484 /nfs/dbraw/zinc/58/44/84/1376584484.db2.gz RMXYABVNUHOVHU-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545812 1376584489 /nfs/dbraw/zinc/58/44/89/1376584489.db2.gz RMXYABVNUHOVHU-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP CCC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134745765 1376694902 /nfs/dbraw/zinc/69/49/02/1376694902.db2.gz ZUTUOBFYUCZNPI-PMKBXARWSA-N 2 2 347.503 3.252 20 0 EGADLP CCCCCOc1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235114759 1376846034 /nfs/dbraw/zinc/84/60/34/1376846034.db2.gz NAHLTMANWFWWQW-HXUWFJFHSA-N 2 2 332.488 3.210 20 0 EGADLP CCCCCOc1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235114759 1376846040 /nfs/dbraw/zinc/84/60/40/1376846040.db2.gz NAHLTMANWFWWQW-HXUWFJFHSA-N 2 2 332.488 3.210 20 0 EGADLP c1ccc(Cc2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235122777 1376852181 /nfs/dbraw/zinc/85/21/81/1376852181.db2.gz ZCSDHZGKAJWNEX-QFIPXVFZSA-N 2 2 336.479 3.232 20 0 EGADLP c1ccc(Cc2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235122777 1376852199 /nfs/dbraw/zinc/85/21/99/1376852199.db2.gz ZCSDHZGKAJWNEX-QFIPXVFZSA-N 2 2 336.479 3.232 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135055132 1376870955 /nfs/dbraw/zinc/87/09/55/1376870955.db2.gz DAXASMOIFNHBKA-DLBZAZTESA-N 2 2 346.519 3.116 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135057366 1376872676 /nfs/dbraw/zinc/87/26/76/1376872676.db2.gz SZXGIRFOXZWCQR-DLBZAZTESA-N 2 2 348.535 3.196 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632740 1376881263 /nfs/dbraw/zinc/88/12/63/1376881263.db2.gz KKRIHCMGLASTCJ-OALUTQOASA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632740 1376881265 /nfs/dbraw/zinc/88/12/65/1376881265.db2.gz KKRIHCMGLASTCJ-OALUTQOASA-N 2 2 346.519 3.193 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235725672 1376886220 /nfs/dbraw/zinc/88/62/20/1376886220.db2.gz UHRRBHLSTZETDL-IBGZPJMESA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235725672 1376886228 /nfs/dbraw/zinc/88/62/28/1376886228.db2.gz UHRRBHLSTZETDL-IBGZPJMESA-N 2 2 325.456 3.386 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001135136507 1376925468 /nfs/dbraw/zinc/92/54/68/1376925468.db2.gz JCDUFOWCZXWKJX-DLBZAZTESA-N 2 2 346.519 3.117 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001236183297 1376940564 /nfs/dbraw/zinc/94/05/64/1376940564.db2.gz VWOQZLFPYBGYKZ-WQVCFCJDSA-N 2 2 344.833 3.204 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001236183297 1376940570 /nfs/dbraw/zinc/94/05/70/1376940570.db2.gz VWOQZLFPYBGYKZ-WQVCFCJDSA-N 2 2 344.833 3.204 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001237059368 1376974663 /nfs/dbraw/zinc/97/46/63/1376974663.db2.gz TWKLRJUFUWIBLQ-INIZCTEOSA-N 2 2 336.277 3.491 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001237059368 1376974669 /nfs/dbraw/zinc/97/46/69/1376974669.db2.gz TWKLRJUFUWIBLQ-INIZCTEOSA-N 2 2 336.277 3.491 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(Cl)c4c[nH]nc43)c2)C1 ZINC001244398493 1377036846 /nfs/dbraw/zinc/03/68/46/1377036846.db2.gz GJHOHOAIBNMBSZ-AWEZNQCLSA-N 2 2 326.831 3.416 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(Cl)c4c[nH]nc43)c2)C1 ZINC001244398493 1377036848 /nfs/dbraw/zinc/03/68/48/1377036848.db2.gz GJHOHOAIBNMBSZ-AWEZNQCLSA-N 2 2 326.831 3.416 20 0 EGADLP C[C@@H]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)C[NH2+]1 ZINC001246297005 1377051014 /nfs/dbraw/zinc/05/10/14/1377051014.db2.gz UBUKVBSOEPXSIT-FFSVYQOJSA-N 2 2 330.303 3.326 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001135578461 1377153910 /nfs/dbraw/zinc/15/39/10/1377153910.db2.gz BJVOFKYSWJZIDL-JKSUJKDBSA-N 2 2 342.487 3.149 20 0 EGADLP Cc1ccn2c(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cnc2c1 ZINC001136894684 1377438308 /nfs/dbraw/zinc/43/83/08/1377438308.db2.gz ZMGGNJYNCLZCQT-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1ccn2c(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cnc2c1 ZINC001136894684 1377438309 /nfs/dbraw/zinc/43/83/09/1377438309.db2.gz ZMGGNJYNCLZCQT-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@H]3C2)c1 ZINC001137042717 1377465191 /nfs/dbraw/zinc/46/51/91/1377465191.db2.gz QQRVINWRBKNCDH-HOTGVXAUSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@H]3C2)c1 ZINC001137042717 1377465194 /nfs/dbraw/zinc/46/51/94/1377465194.db2.gz QQRVINWRBKNCDH-HOTGVXAUSA-N 2 2 338.480 3.188 20 0 EGADLP c1cc(N2CCCC2)oc1C[N@@H+]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001137071818 1377473175 /nfs/dbraw/zinc/47/31/75/1377473175.db2.gz DQLZPCBYROWALJ-QGZVFWFLSA-N 2 2 327.428 3.318 20 0 EGADLP c1cc(N2CCCC2)oc1C[N@H+]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001137071818 1377473176 /nfs/dbraw/zinc/47/31/76/1377473176.db2.gz DQLZPCBYROWALJ-QGZVFWFLSA-N 2 2 327.428 3.318 20 0 EGADLP Cc1cccc2nc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cn21 ZINC001137301449 1377513205 /nfs/dbraw/zinc/51/32/05/1377513205.db2.gz JZUPRGTVOMESQV-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2nc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cn21 ZINC001137301449 1377513209 /nfs/dbraw/zinc/51/32/09/1377513209.db2.gz JZUPRGTVOMESQV-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2nc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn21 ZINC001137301449 1377513211 /nfs/dbraw/zinc/51/32/11/1377513211.db2.gz JZUPRGTVOMESQV-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2nc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn21 ZINC001137301449 1377513214 /nfs/dbraw/zinc/51/32/14/1377513214.db2.gz JZUPRGTVOMESQV-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP COCC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001137864921 1377633001 /nfs/dbraw/zinc/63/30/01/1377633001.db2.gz SYKBQJNSFJPJTL-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP COCC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001137864921 1377633002 /nfs/dbraw/zinc/63/30/02/1377633002.db2.gz SYKBQJNSFJPJTL-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP CCc1cccc2c(C[NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)c[nH]c21 ZINC001138362565 1377710242 /nfs/dbraw/zinc/71/02/42/1377710242.db2.gz YTMHBNPPELXUGF-UHFFFAOYSA-N 2 2 349.482 3.459 20 0 EGADLP CCOC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCCC1 ZINC001138550550 1377740885 /nfs/dbraw/zinc/74/08/85/1377740885.db2.gz WTEJYJBAHZYUIT-UHFFFAOYSA-N 2 2 341.455 3.488 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2C)cc1)C1CCCC1 ZINC001138550550 1377740887 /nfs/dbraw/zinc/74/08/87/1377740887.db2.gz WTEJYJBAHZYUIT-UHFFFAOYSA-N 2 2 341.455 3.488 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(C)s1 ZINC001138569399 1377743686 /nfs/dbraw/zinc/74/36/86/1377743686.db2.gz HVMGPDQAFZVECH-OALUTQOASA-N 2 2 327.497 3.324 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC001138604052 1377751711 /nfs/dbraw/zinc/75/17/11/1377751711.db2.gz WBDPWPZZBMTXPE-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC001138604052 1377751712 /nfs/dbraw/zinc/75/17/12/1377751712.db2.gz WBDPWPZZBMTXPE-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC001138639684 1377760078 /nfs/dbraw/zinc/76/00/78/1377760078.db2.gz STXHRCFZNZVMKX-NHCUHLMSSA-N 2 2 338.499 3.165 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782180 1377784006 /nfs/dbraw/zinc/78/40/06/1377784006.db2.gz GZAGCUVMEPCHAS-NLWGTHIKSA-N 2 2 346.519 3.421 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782180 1377784009 /nfs/dbraw/zinc/78/40/09/1377784009.db2.gz GZAGCUVMEPCHAS-NLWGTHIKSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782180 1377784012 /nfs/dbraw/zinc/78/40/12/1377784012.db2.gz GZAGCUVMEPCHAS-NLWGTHIKSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782180 1377784015 /nfs/dbraw/zinc/78/40/15/1377784015.db2.gz GZAGCUVMEPCHAS-NLWGTHIKSA-N 2 2 346.519 3.421 20 0 EGADLP C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059471 1377823287 /nfs/dbraw/zinc/82/32/87/1377823287.db2.gz CLBHTRICPRTHLE-GOSISDBHSA-N 2 2 336.479 3.466 20 0 EGADLP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059471 1377823288 /nfs/dbraw/zinc/82/32/88/1377823288.db2.gz CLBHTRICPRTHLE-GOSISDBHSA-N 2 2 336.479 3.466 20 0 EGADLP CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139362349 1377874332 /nfs/dbraw/zinc/87/43/32/1377874332.db2.gz LWFLUPDAIGYNKI-QGZVFWFLSA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139362349 1377874333 /nfs/dbraw/zinc/87/43/33/1377874333.db2.gz LWFLUPDAIGYNKI-QGZVFWFLSA-N 2 2 327.428 3.038 20 0 EGADLP Cc1cc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)ncn1 ZINC001139363395 1377874801 /nfs/dbraw/zinc/87/48/01/1377874801.db2.gz CFTGAVDOQWGKBO-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139369232 1377875837 /nfs/dbraw/zinc/87/58/37/1377875837.db2.gz RDRXRMQHDAZFET-UHFFFAOYSA-N 2 2 349.891 3.365 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139369232 1377875844 /nfs/dbraw/zinc/87/58/44/1377875844.db2.gz RDRXRMQHDAZFET-UHFFFAOYSA-N 2 2 349.891 3.365 20 0 EGADLP CCOc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1Cl ZINC001139594929 1377914865 /nfs/dbraw/zinc/91/48/65/1377914865.db2.gz COVQVWMLGXBVRH-UHFFFAOYSA-N 2 2 340.895 3.281 20 0 EGADLP CCOc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1Cl ZINC001139594929 1377914869 /nfs/dbraw/zinc/91/48/69/1377914869.db2.gz COVQVWMLGXBVRH-UHFFFAOYSA-N 2 2 340.895 3.281 20 0 EGADLP c1cc(C[N@@H+]2CCC23CCCCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC001139761942 1377947945 /nfs/dbraw/zinc/94/79/45/1377947945.db2.gz PNKCZBQELQBEML-UHFFFAOYSA-N 2 2 344.499 3.306 20 0 EGADLP c1cc(C[N@H+]2CCC23CCCCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC001139761942 1377947947 /nfs/dbraw/zinc/94/79/47/1377947947.db2.gz PNKCZBQELQBEML-UHFFFAOYSA-N 2 2 344.499 3.306 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001140026607 1377991754 /nfs/dbraw/zinc/99/17/54/1377991754.db2.gz NTXREOQLGQGJAP-KRWDZBQOSA-N 2 2 329.419 3.274 20 0 EGADLP COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C2 ZINC001140024228 1377991867 /nfs/dbraw/zinc/99/18/67/1377991867.db2.gz CYJZBBZJSSUDRH-QUCCMNQESA-N 2 2 325.456 3.429 20 0 EGADLP COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C2 ZINC001140024228 1377991868 /nfs/dbraw/zinc/99/18/68/1377991868.db2.gz CYJZBBZJSSUDRH-QUCCMNQESA-N 2 2 325.456 3.429 20 0 EGADLP Cc1noc(C2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)n1 ZINC001140026262 1377991987 /nfs/dbraw/zinc/99/19/87/1377991987.db2.gz JKYOBWLXWFLUEG-UHFFFAOYSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001140027790 1377992359 /nfs/dbraw/zinc/99/23/59/1377992359.db2.gz ZGLOKBARJLEZQG-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001140522976 1378076830 /nfs/dbraw/zinc/07/68/30/1378076830.db2.gz APQTYPWVWJUXHP-OAHLLOKOSA-N 2 2 336.501 3.375 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001140522976 1378076832 /nfs/dbraw/zinc/07/68/32/1378076832.db2.gz APQTYPWVWJUXHP-OAHLLOKOSA-N 2 2 336.501 3.375 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166285 1378137140 /nfs/dbraw/zinc/13/71/40/1378137140.db2.gz RAQIEJCYZHENRG-HNNXBMFYSA-N 2 2 330.398 3.040 20 0 EGADLP FC(F)(F)CCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166285 1378137143 /nfs/dbraw/zinc/13/71/43/1378137143.db2.gz RAQIEJCYZHENRG-HNNXBMFYSA-N 2 2 330.398 3.040 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166285 1378137145 /nfs/dbraw/zinc/13/71/45/1378137145.db2.gz RAQIEJCYZHENRG-HNNXBMFYSA-N 2 2 330.398 3.040 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166285 1378137147 /nfs/dbraw/zinc/13/71/47/1378137147.db2.gz RAQIEJCYZHENRG-HNNXBMFYSA-N 2 2 330.398 3.040 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166286 1378137202 /nfs/dbraw/zinc/13/72/02/1378137202.db2.gz RAQIEJCYZHENRG-OAHLLOKOSA-N 2 2 330.398 3.040 20 0 EGADLP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275166286 1378137204 /nfs/dbraw/zinc/13/72/04/1378137204.db2.gz RAQIEJCYZHENRG-OAHLLOKOSA-N 2 2 330.398 3.040 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166286 1378137206 /nfs/dbraw/zinc/13/72/06/1378137206.db2.gz RAQIEJCYZHENRG-OAHLLOKOSA-N 2 2 330.398 3.040 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001275166286 1378137207 /nfs/dbraw/zinc/13/72/07/1378137207.db2.gz RAQIEJCYZHENRG-OAHLLOKOSA-N 2 2 330.398 3.040 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140800989 1378139545 /nfs/dbraw/zinc/13/95/45/1378139545.db2.gz DADJVHWAOWSFCV-GASCZTMLSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140800989 1378139546 /nfs/dbraw/zinc/13/95/46/1378139546.db2.gz DADJVHWAOWSFCV-GASCZTMLSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802084 1378140843 /nfs/dbraw/zinc/14/08/43/1378140843.db2.gz NBYXXWVKOVEYLL-OAHLLOKOSA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802084 1378140846 /nfs/dbraw/zinc/14/08/46/1378140846.db2.gz NBYXXWVKOVEYLL-OAHLLOKOSA-N 2 2 344.459 3.442 20 0 EGADLP OC1(c2ccccc2F)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802819 1378141704 /nfs/dbraw/zinc/14/17/04/1378141704.db2.gz FVFZAAJJTSFPAB-UHFFFAOYSA-N 2 2 325.387 3.186 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801617 1378141884 /nfs/dbraw/zinc/14/18/84/1378141884.db2.gz TXRKHEUIHARUKP-IAGOWNOFSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801617 1378141888 /nfs/dbraw/zinc/14/18/88/1378141888.db2.gz TXRKHEUIHARUKP-IAGOWNOFSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC12CC2 ZINC001140802551 1378142068 /nfs/dbraw/zinc/14/20/68/1378142068.db2.gz YSCLXUDDTCTBTH-MRXNPFEDSA-N 2 2 342.443 3.052 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC12CC2 ZINC001140802551 1378142071 /nfs/dbraw/zinc/14/20/71/1378142071.db2.gz YSCLXUDDTCTBTH-MRXNPFEDSA-N 2 2 342.443 3.052 20 0 EGADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804944 1378144361 /nfs/dbraw/zinc/14/43/61/1378144361.db2.gz LIBOULJPPNZZDD-HNNXBMFYSA-N 2 2 344.459 3.394 20 0 EGADLP CC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804944 1378144367 /nfs/dbraw/zinc/14/43/67/1378144367.db2.gz LIBOULJPPNZZDD-HNNXBMFYSA-N 2 2 344.459 3.394 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1F ZINC001140807093 1378145640 /nfs/dbraw/zinc/14/56/40/1378145640.db2.gz LKKJKKMTGSACPY-ZBFHGGJFSA-N 2 2 348.422 3.000 20 0 EGADLP Nc1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140876626 1378166045 /nfs/dbraw/zinc/16/60/45/1378166045.db2.gz ICXNFXSAWLKZIS-ZWKOTPCHSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140876626 1378166048 /nfs/dbraw/zinc/16/60/48/1378166048.db2.gz ICXNFXSAWLKZIS-ZWKOTPCHSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140876626 1378166050 /nfs/dbraw/zinc/16/60/50/1378166050.db2.gz ICXNFXSAWLKZIS-ZWKOTPCHSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1cccc(F)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140876626 1378166051 /nfs/dbraw/zinc/16/60/51/1378166051.db2.gz ICXNFXSAWLKZIS-ZWKOTPCHSA-N 2 2 339.458 3.362 20 0 EGADLP Cc1nccnc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1 ZINC001140937592 1378184432 /nfs/dbraw/zinc/18/44/32/1378184432.db2.gz PHEDVJAPVTUZFH-ZJOUEHCJSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1nccnc1C[NH+]1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1 ZINC001140937592 1378184435 /nfs/dbraw/zinc/18/44/35/1378184435.db2.gz PHEDVJAPVTUZFH-ZJOUEHCJSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1nccnc1C[N@@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001140937592 1378184437 /nfs/dbraw/zinc/18/44/37/1378184437.db2.gz PHEDVJAPVTUZFH-ZJOUEHCJSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1nccnc1C[N@H+]1C[C@H]2c3ccccc3[C@H]([NH+](C)C(C)C)[C@H]2C1 ZINC001140937592 1378184440 /nfs/dbraw/zinc/18/44/40/1378184440.db2.gz PHEDVJAPVTUZFH-ZJOUEHCJSA-N 2 2 336.483 3.396 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2c[nH]nc2C(F)(F)F)C2CCCC2)CC1 ZINC001141018550 1378209658 /nfs/dbraw/zinc/20/96/58/1378209658.db2.gz AONPREYGVDOQEH-UHFFFAOYSA-N 2 2 330.398 3.267 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2c[nH]nc2C(F)(F)F)C2CCCC2)CC1 ZINC001141018550 1378209664 /nfs/dbraw/zinc/20/96/64/1378209664.db2.gz AONPREYGVDOQEH-UHFFFAOYSA-N 2 2 330.398 3.267 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277883624 1378249054 /nfs/dbraw/zinc/24/90/54/1378249054.db2.gz LQQQUIJOVZWADS-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(-c3ccc(F)cc3)n1)C2 ZINC001141210467 1378269539 /nfs/dbraw/zinc/26/95/39/1378269539.db2.gz QKCXMORXAANKGQ-OXQOHEQNSA-N 2 2 325.431 3.271 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)n1)C2 ZINC001141210467 1378269544 /nfs/dbraw/zinc/26/95/44/1378269544.db2.gz QKCXMORXAANKGQ-OXQOHEQNSA-N 2 2 325.431 3.271 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)n3)C[C@H]2C1 ZINC001141210370 1378269689 /nfs/dbraw/zinc/26/96/89/1378269689.db2.gz MEKZBCMHCDIUBK-IAGOWNOFSA-N 2 2 325.431 3.271 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141243218 1378281085 /nfs/dbraw/zinc/28/10/85/1378281085.db2.gz AIXOXHCRTCVNST-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141243218 1378281089 /nfs/dbraw/zinc/28/10/89/1378281089.db2.gz AIXOXHCRTCVNST-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)nc3C)C[C@@H]2C1 ZINC001141438262 1378326557 /nfs/dbraw/zinc/32/65/57/1378326557.db2.gz QDIOIVAAEOPEGU-GASCZTMLSA-N 2 2 327.394 3.182 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)nc3C)C[C@@H]2C1 ZINC001141438262 1378326559 /nfs/dbraw/zinc/32/65/59/1378326559.db2.gz QDIOIVAAEOPEGU-GASCZTMLSA-N 2 2 327.394 3.182 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)nc3C)C[C@@H]2C1 ZINC001141438262 1378326563 /nfs/dbraw/zinc/32/65/63/1378326563.db2.gz QDIOIVAAEOPEGU-GASCZTMLSA-N 2 2 327.394 3.182 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)nc3C)C[C@@H]2C1 ZINC001141438262 1378326566 /nfs/dbraw/zinc/32/65/66/1378326566.db2.gz QDIOIVAAEOPEGU-GASCZTMLSA-N 2 2 327.394 3.182 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC001141497598 1378335248 /nfs/dbraw/zinc/33/52/48/1378335248.db2.gz WWQILFNONQAVBR-SFHVURJKSA-N 2 2 349.906 3.030 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(OC4CCCC4)c3)C[C@@H]2C1 ZINC001141525339 1378338836 /nfs/dbraw/zinc/33/88/36/1378338836.db2.gz JOCMYGMUSWIYRE-HDICACEKSA-N 2 2 344.499 3.400 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(OC4CCCC4)c3)C[C@@H]2C1 ZINC001141525339 1378338842 /nfs/dbraw/zinc/33/88/42/1378338842.db2.gz JOCMYGMUSWIYRE-HDICACEKSA-N 2 2 344.499 3.400 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)c(OC4CCCC4)c3)C[C@@H]2C1 ZINC001141525339 1378338846 /nfs/dbraw/zinc/33/88/46/1378338846.db2.gz JOCMYGMUSWIYRE-HDICACEKSA-N 2 2 344.499 3.400 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)c(OC4CCCC4)c3)C[C@@H]2C1 ZINC001141525339 1378338849 /nfs/dbraw/zinc/33/88/49/1378338849.db2.gz JOCMYGMUSWIYRE-HDICACEKSA-N 2 2 344.499 3.400 20 0 EGADLP CCN(Cc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001143027973 1378528470 /nfs/dbraw/zinc/52/84/70/1378528470.db2.gz UTKNTHHZVCBQAO-HXUWFJFHSA-N 2 2 334.467 3.431 20 0 EGADLP CCN(Cc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143027973 1378528474 /nfs/dbraw/zinc/52/84/74/1378528474.db2.gz UTKNTHHZVCBQAO-HXUWFJFHSA-N 2 2 334.467 3.431 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001282664736 1378535364 /nfs/dbraw/zinc/53/53/64/1378535364.db2.gz JVSLXMGCSBERLE-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001282664736 1378535369 /nfs/dbraw/zinc/53/53/69/1378535369.db2.gz JVSLXMGCSBERLE-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP Cc1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc(C(F)(F)F)c1 ZINC001143455479 1378598868 /nfs/dbraw/zinc/59/88/68/1378598868.db2.gz TUCZFYRRSMTIAA-UHFFFAOYSA-N 2 2 343.437 3.083 20 0 EGADLP Cc1cc(F)cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001143584883 1378620989 /nfs/dbraw/zinc/62/09/89/1378620989.db2.gz BIOBOWUBEXLYMT-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001143584883 1378620993 /nfs/dbraw/zinc/62/09/93/1378620993.db2.gz BIOBOWUBEXLYMT-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143584883 1378620998 /nfs/dbraw/zinc/62/09/98/1378620998.db2.gz BIOBOWUBEXLYMT-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143584883 1378621003 /nfs/dbraw/zinc/62/10/03/1378621003.db2.gz BIOBOWUBEXLYMT-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001143996806 1378668041 /nfs/dbraw/zinc/66/80/41/1378668041.db2.gz SMEWLTBZRCZUKI-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001143996806 1378668042 /nfs/dbraw/zinc/66/80/42/1378668042.db2.gz SMEWLTBZRCZUKI-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001144005516 1378669787 /nfs/dbraw/zinc/66/97/87/1378669787.db2.gz VYEOPDAXVROMJL-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001144005516 1378669788 /nfs/dbraw/zinc/66/97/88/1378669788.db2.gz VYEOPDAXVROMJL-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001144005516 1378669790 /nfs/dbraw/zinc/66/97/90/1378669790.db2.gz VYEOPDAXVROMJL-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001144005516 1378669792 /nfs/dbraw/zinc/66/97/92/1378669792.db2.gz VYEOPDAXVROMJL-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001144445998 1378733185 /nfs/dbraw/zinc/73/31/85/1378733185.db2.gz SBLURISEXIORJC-GOSISDBHSA-N 2 2 348.462 3.453 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(F)c1 ZINC001144445998 1378733186 /nfs/dbraw/zinc/73/31/86/1378733186.db2.gz SBLURISEXIORJC-GOSISDBHSA-N 2 2 348.462 3.453 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001144712215 1378762706 /nfs/dbraw/zinc/76/27/06/1378762706.db2.gz OVPWRGZTUWLBEE-PMACEKPBSA-N 2 2 332.451 3.127 20 0 EGADLP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706475 1378902962 /nfs/dbraw/zinc/90/29/62/1378902962.db2.gz FLRNOVBTKWBACL-IKSUFZCESA-N 2 2 334.508 3.283 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC001146713292 1378905720 /nfs/dbraw/zinc/90/57/20/1378905720.db2.gz JCKDMOYBXKSFGX-DLBZAZTESA-N 2 2 336.524 3.363 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2cnccc2c1 ZINC001146986630 1378952302 /nfs/dbraw/zinc/95/23/02/1378952302.db2.gz GSZBBGJAWNHDCX-UHFFFAOYSA-N 2 2 329.363 3.376 20 0 EGADLP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361649 1380064097 /nfs/dbraw/zinc/06/40/97/1380064097.db2.gz CVFIFKBTYKGWST-LSDHHAIUSA-N 2 2 330.476 3.129 20 0 EGADLP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361649 1380064102 /nfs/dbraw/zinc/06/41/02/1380064102.db2.gz CVFIFKBTYKGWST-LSDHHAIUSA-N 2 2 330.476 3.129 20 0 EGADLP CC[C@H](F)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492565 1380289194 /nfs/dbraw/zinc/28/91/94/1380289194.db2.gz KJRKISMPMNKOKS-WBVHZDCISA-N 2 2 346.450 3.061 20 0 EGADLP CC[C@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492565 1380289197 /nfs/dbraw/zinc/28/91/97/1380289197.db2.gz KJRKISMPMNKOKS-WBVHZDCISA-N 2 2 346.450 3.061 20 0 EGADLP CSc1nc2ccccc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057653 1380399762 /nfs/dbraw/zinc/39/97/62/1380399762.db2.gz LVKSGYLTIGXRBW-UHFFFAOYSA-N 2 2 325.441 3.004 20 0 EGADLP Cc1sc2nc(C)nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1C ZINC001155057306 1380400298 /nfs/dbraw/zinc/40/02/98/1380400298.db2.gz CNZIBSOPTALVAQ-UHFFFAOYSA-N 2 2 327.457 3.269 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189466 1380421999 /nfs/dbraw/zinc/42/19/99/1380421999.db2.gz ONZGTFYLTHPYRD-ZWOPJXCPSA-N 2 2 332.492 3.013 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189466 1380422000 /nfs/dbraw/zinc/42/20/00/1380422000.db2.gz ONZGTFYLTHPYRD-ZWOPJXCPSA-N 2 2 332.492 3.013 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189464 1380422026 /nfs/dbraw/zinc/42/20/26/1380422026.db2.gz ONZGTFYLTHPYRD-UWUBPMADSA-N 2 2 332.492 3.013 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189464 1380422027 /nfs/dbraw/zinc/42/20/27/1380422027.db2.gz ONZGTFYLTHPYRD-UWUBPMADSA-N 2 2 332.492 3.013 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522469 1380464343 /nfs/dbraw/zinc/46/43/43/1380464343.db2.gz VONIDUPAASSDNK-ICUWKNINSA-N 2 2 334.508 3.407 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522469 1380464344 /nfs/dbraw/zinc/46/43/44/1380464344.db2.gz VONIDUPAASSDNK-ICUWKNINSA-N 2 2 334.508 3.407 20 0 EGADLP COc1ccc2[nH+]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c(C)cc2c1 ZINC001155592442 1380471070 /nfs/dbraw/zinc/47/10/70/1380471070.db2.gz PEBCZXUHMQBFQX-MGPUTAFESA-N 2 2 341.455 3.122 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751882 1380489022 /nfs/dbraw/zinc/48/90/22/1380489022.db2.gz UINDJRQUWIIQPU-MGSINWNPSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751882 1380489023 /nfs/dbraw/zinc/48/90/23/1380489023.db2.gz UINDJRQUWIIQPU-MGSINWNPSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751882 1380489024 /nfs/dbraw/zinc/48/90/24/1380489024.db2.gz UINDJRQUWIIQPU-MGSINWNPSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751882 1380489025 /nfs/dbraw/zinc/48/90/25/1380489025.db2.gz UINDJRQUWIIQPU-MGSINWNPSA-N 2 2 334.508 3.161 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155752136 1380489102 /nfs/dbraw/zinc/48/91/02/1380489102.db2.gz YYBWIDDMWWTEKV-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155752136 1380489103 /nfs/dbraw/zinc/48/91/03/1380489103.db2.gz YYBWIDDMWWTEKV-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155752136 1380489104 /nfs/dbraw/zinc/48/91/04/1380489104.db2.gz YYBWIDDMWWTEKV-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155752136 1380489105 /nfs/dbraw/zinc/48/91/05/1380489105.db2.gz YYBWIDDMWWTEKV-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011524 1380513437 /nfs/dbraw/zinc/51/34/37/1380513437.db2.gz JLMJXPSZAWANPN-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011524 1380513438 /nfs/dbraw/zinc/51/34/38/1380513438.db2.gz JLMJXPSZAWANPN-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP Cc1ccc2nc(NCC3([NH+](C)C)CC[NH+](C)CC3)c(Cl)nc2c1 ZINC001156181450 1380537505 /nfs/dbraw/zinc/53/75/05/1380537505.db2.gz BBWQQGOQMGTNFF-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP Cc1sc2nc(C)nc(NCC3([NH+](C)C)CC[NH+](C)CC3)c2c1C ZINC001156181444 1380537813 /nfs/dbraw/zinc/53/78/13/1380537813.db2.gz ATSJDOVFEATHCC-UHFFFAOYSA-N 2 2 347.532 3.054 20 0 EGADLP CC(C)Oc1cc[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001156392612 1380570502 /nfs/dbraw/zinc/57/05/02/1380570502.db2.gz UVVPNERWOKNHSO-UHFFFAOYSA-N 2 2 341.455 3.313 20 0 EGADLP CC(C)[NH+]1CCC(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC001156502870 1380585288 /nfs/dbraw/zinc/58/52/88/1380585288.db2.gz ZHYIGIUVZFBZNI-MRXNPFEDSA-N 2 2 331.508 3.245 20 0 EGADLP CC(C)[NH+]1CCC(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC001156502870 1380585289 /nfs/dbraw/zinc/58/52/89/1380585289.db2.gz ZHYIGIUVZFBZNI-MRXNPFEDSA-N 2 2 331.508 3.245 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[C@H]([N@H+](C)C(C)C)C3)c2cc1OC ZINC001157009513 1380750305 /nfs/dbraw/zinc/75/03/05/1380750305.db2.gz JQKRHABVMLGEFX-HNNXBMFYSA-N 2 2 329.444 3.171 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[C@H]([N@@H+](C)C(C)C)C3)c2cc1OC ZINC001157009513 1380750307 /nfs/dbraw/zinc/75/03/07/1380750307.db2.gz JQKRHABVMLGEFX-HNNXBMFYSA-N 2 2 329.444 3.171 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158049890 1381111845 /nfs/dbraw/zinc/11/18/45/1381111845.db2.gz AFRHWXURSAYJRW-GOSISDBHSA-N 2 2 348.535 3.482 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158049890 1381111849 /nfs/dbraw/zinc/11/18/49/1381111849.db2.gz AFRHWXURSAYJRW-GOSISDBHSA-N 2 2 348.535 3.482 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158049890 1381111854 /nfs/dbraw/zinc/11/18/54/1381111854.db2.gz AFRHWXURSAYJRW-GOSISDBHSA-N 2 2 348.535 3.482 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158049890 1381111857 /nfs/dbraw/zinc/11/18/57/1381111857.db2.gz AFRHWXURSAYJRW-GOSISDBHSA-N 2 2 348.535 3.482 20 0 EGADLP COc1ccc(C)[nH+]c1N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001158167174 1381146959 /nfs/dbraw/zinc/14/69/59/1381146959.db2.gz RQMLBIQQPOPLHM-QAQDUYKDSA-N 2 2 326.444 3.070 20 0 EGADLP CCCc1cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC001158167486 1381147269 /nfs/dbraw/zinc/14/72/69/1381147269.db2.gz PMACWLRRPRTCIV-UAPYVXQJSA-N 2 2 339.487 3.409 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571662 1381304015 /nfs/dbraw/zinc/30/40/15/1381304015.db2.gz VLNUCKLOZVRCDG-SJLPKXTDSA-N 2 2 334.508 3.091 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571662 1381304029 /nfs/dbraw/zinc/30/40/29/1381304029.db2.gz VLNUCKLOZVRCDG-SJLPKXTDSA-N 2 2 334.508 3.091 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571662 1381304034 /nfs/dbraw/zinc/30/40/34/1381304034.db2.gz VLNUCKLOZVRCDG-SJLPKXTDSA-N 2 2 334.508 3.091 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571662 1381304038 /nfs/dbraw/zinc/30/40/38/1381304038.db2.gz VLNUCKLOZVRCDG-SJLPKXTDSA-N 2 2 334.508 3.091 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cccc(Cl)c1 ZINC001328356731 1388729142 /nfs/dbraw/zinc/72/91/42/1388729142.db2.gz YFTFOYRZGJWVDR-UHFFFAOYSA-N 2 2 326.787 3.410 20 0 EGADLP Brc1cc(Nc2ccc3c(c2)CC[NH2+]C3)cn2cc[nH+]c12 ZINC001159267516 1381747935 /nfs/dbraw/zinc/74/79/35/1381747935.db2.gz AZXAQPGISFIZBK-UHFFFAOYSA-N 2 2 343.228 3.486 20 0 EGADLP Cc1[nH+]cc(C2CC2)cc1Nc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC001159994386 1381963227 /nfs/dbraw/zinc/96/32/27/1381963227.db2.gz QETHLESTBRLXPS-UHFFFAOYSA-N 2 2 336.439 3.056 20 0 EGADLP Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1cccc2[nH+]c[nH]c21 ZINC001160099037 1381995984 /nfs/dbraw/zinc/99/59/84/1381995984.db2.gz SWTCDNXIADHVJB-UHFFFAOYSA-N 2 2 339.418 3.422 20 0 EGADLP Fc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160162424 1382020513 /nfs/dbraw/zinc/02/05/13/1382020513.db2.gz OPQZFRQPOCSOLJ-MRXNPFEDSA-N 2 2 342.418 3.305 20 0 EGADLP Cc1c[nH+]c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])nc1NC(C)C ZINC001160660039 1382162742 /nfs/dbraw/zinc/16/27/42/1382162742.db2.gz FEITZDFMIGOUNP-HNNXBMFYSA-N 2 2 327.476 3.207 20 0 EGADLP COc1cc2c[nH+]c(N[C@H]3CC[N@@H+](C4CCC4)C3)cc2cc1OC ZINC001161176660 1382325506 /nfs/dbraw/zinc/32/55/06/1382325506.db2.gz AHHPWRGDRIORHD-HNNXBMFYSA-N 2 2 327.428 3.291 20 0 EGADLP COc1cc2c[nH+]c(N[C@H]3CC[N@H+](C4CCC4)C3)cc2cc1OC ZINC001161176660 1382325512 /nfs/dbraw/zinc/32/55/12/1382325512.db2.gz AHHPWRGDRIORHD-HNNXBMFYSA-N 2 2 327.428 3.291 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356421 1382381577 /nfs/dbraw/zinc/38/15/77/1382381577.db2.gz OSXDIFCAYXJHMI-SHCNBLLESA-N 2 2 344.503 3.329 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356421 1382381580 /nfs/dbraw/zinc/38/15/80/1382381580.db2.gz OSXDIFCAYXJHMI-SHCNBLLESA-N 2 2 344.503 3.329 20 0 EGADLP CCSc1cc[nH+]c(NC2(Cc3ccccn3)CC[NH2+]CC2)c1 ZINC001161496479 1382423610 /nfs/dbraw/zinc/42/36/10/1382423610.db2.gz PVXYBIWBRNTQBF-UHFFFAOYSA-N 2 2 328.485 3.365 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993467 1382592315 /nfs/dbraw/zinc/59/23/15/1382592315.db2.gz BPTBLMSNUYLHMA-UHFFFAOYSA-N 2 2 346.519 3.382 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993467 1382592321 /nfs/dbraw/zinc/59/23/21/1382592321.db2.gz BPTBLMSNUYLHMA-UHFFFAOYSA-N 2 2 346.519 3.382 20 0 EGADLP COc1cccc(C2(Nc3[nH+]cc(C)cc3OC)CC[NH2+]CC2)c1 ZINC001161996721 1382594086 /nfs/dbraw/zinc/59/40/86/1382594086.db2.gz UDJMFLNUDVWXGZ-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](Nc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)C1 ZINC001162394484 1382746920 /nfs/dbraw/zinc/74/69/20/1382746920.db2.gz PKSPEBRCECGXAR-JKSUJKDBSA-N 2 2 334.427 3.011 20 0 EGADLP C[C@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)c1cccc(N(C)C)c1 ZINC001162633940 1382817450 /nfs/dbraw/zinc/81/74/50/1382817450.db2.gz ZOHWZRDWWLYBHK-INIZCTEOSA-N 2 2 339.487 3.073 20 0 EGADLP C[NH+]1CCN(c2cccc(N[C@@H]3CCc4c3c(F)ccc4F)[nH+]2)CC1 ZINC001162932840 1382920537 /nfs/dbraw/zinc/92/05/37/1382920537.db2.gz UKVGKVQLYDAVIW-MRXNPFEDSA-N 2 2 344.409 3.211 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@@H]3CC[N@@H+](C(C)C)C[C@H]3C)c2[nH]1 ZINC001163360757 1383030388 /nfs/dbraw/zinc/03/03/88/1383030388.db2.gz FRTUAISLFFZELZ-UKRRQHHQSA-N 2 2 344.459 3.270 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@@H]3CC[N@H+](C(C)C)C[C@H]3C)c2[nH]1 ZINC001163360757 1383030391 /nfs/dbraw/zinc/03/03/91/1383030391.db2.gz FRTUAISLFFZELZ-UKRRQHHQSA-N 2 2 344.459 3.270 20 0 EGADLP C[NH+](C)Cc1cccc(CNc2cc[nH+]c(OC3CCOCC3)c2)c1 ZINC001163998328 1383144616 /nfs/dbraw/zinc/14/46/16/1383144616.db2.gz DIYBQDNVUOOEPQ-UHFFFAOYSA-N 2 2 341.455 3.313 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]c(C)cc(Cl)c2C)CC1 ZINC001165110631 1383230167 /nfs/dbraw/zinc/23/01/67/1383230167.db2.gz ULWQNZSHVANGHQ-MRXNPFEDSA-N 2 2 337.895 3.431 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]c(C)cc(Cl)c2C)CC1 ZINC001165110631 1383230172 /nfs/dbraw/zinc/23/01/72/1383230172.db2.gz ULWQNZSHVANGHQ-MRXNPFEDSA-N 2 2 337.895 3.431 20 0 EGADLP Cc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001165433591 1383295635 /nfs/dbraw/zinc/29/56/35/1383295635.db2.gz OMZHFIKIZDJJSD-JKSUJKDBSA-N 2 2 332.467 3.346 20 0 EGADLP Cc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cc(C2CCCCC2)[nH+]1 ZINC001165433590 1383295744 /nfs/dbraw/zinc/29/57/44/1383295744.db2.gz OMZHFIKIZDJJSD-HZPDHXFCSA-N 2 2 332.467 3.346 20 0 EGADLP CC/C=C/CC[NH2+]CC1(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001165718756 1383331651 /nfs/dbraw/zinc/33/16/51/1383331651.db2.gz QPYVEDBPKRURRD-VOTSOKGWSA-N 2 2 346.519 3.159 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001167429743 1383631867 /nfs/dbraw/zinc/63/18/67/1383631867.db2.gz WUODLSDBKBXTCB-QGZVFWFLSA-N 2 2 342.487 3.254 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429746 1383631927 /nfs/dbraw/zinc/63/19/27/1383631927.db2.gz WWCCEOXTFZKIDB-KRWDZBQOSA-N 2 2 342.487 3.254 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl)n1cc[nH+]c1 ZINC001167435907 1383633314 /nfs/dbraw/zinc/63/33/14/1383633314.db2.gz UGLRTSWEOAWNMD-GJZGRUSLSA-N 2 2 348.878 3.345 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(C)c(F)c1 ZINC001167633400 1383694068 /nfs/dbraw/zinc/69/40/68/1383694068.db2.gz FIBVIEXDHOWIGG-SJORKVTESA-N 2 2 333.451 3.021 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(C)c(F)c1 ZINC001167633400 1383694069 /nfs/dbraw/zinc/69/40/69/1383694069.db2.gz FIBVIEXDHOWIGG-SJORKVTESA-N 2 2 333.451 3.021 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(C)c(F)c1 ZINC001167633400 1383694073 /nfs/dbraw/zinc/69/40/73/1383694073.db2.gz FIBVIEXDHOWIGG-SJORKVTESA-N 2 2 333.451 3.021 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(C)c(F)c1 ZINC001167633400 1383694077 /nfs/dbraw/zinc/69/40/77/1383694077.db2.gz FIBVIEXDHOWIGG-SJORKVTESA-N 2 2 333.451 3.021 20 0 EGADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3CCCCCCC3)c2)CC1 ZINC001302316854 1383747645 /nfs/dbraw/zinc/74/76/45/1383747645.db2.gz LQUIKMMRGWHTES-UHFFFAOYSA-N 2 2 330.476 3.132 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001167834945 1383753927 /nfs/dbraw/zinc/75/39/27/1383753927.db2.gz NYIDZOABNDERCH-DLBZAZTESA-N 2 2 331.495 3.302 20 0 EGADLP COc1cccc2c1OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981564 1383786617 /nfs/dbraw/zinc/78/66/17/1383786617.db2.gz AQORUVANODGUAL-MMNRESRNSA-N 2 2 328.456 3.124 20 0 EGADLP COc1cccc2c1OC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981564 1383786622 /nfs/dbraw/zinc/78/66/22/1383786622.db2.gz AQORUVANODGUAL-MMNRESRNSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001167991334 1383789526 /nfs/dbraw/zinc/78/95/26/1383789526.db2.gz MSMCBUBACYVNNI-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1Cl ZINC001167991334 1383789531 /nfs/dbraw/zinc/78/95/31/1383789531.db2.gz MSMCBUBACYVNNI-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001167991332 1383789853 /nfs/dbraw/zinc/78/98/53/1383789853.db2.gz MSMCBUBACYVNNI-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001167991332 1383789854 /nfs/dbraw/zinc/78/98/54/1383789854.db2.gz MSMCBUBACYVNNI-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H]1CC([NH2+]Cc2cn3cccnc3n2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168007519 1383795098 /nfs/dbraw/zinc/79/50/98/1383795098.db2.gz SOQJKKNYXPRQIM-IRXDYDNUSA-N 2 2 349.482 3.261 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168009172 1383796227 /nfs/dbraw/zinc/79/62/27/1383796227.db2.gz HHOKUGKCPFNHEU-IAGOWNOFSA-N 3 2 326.488 3.223 20 0 EGADLP CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001168144863 1383826594 /nfs/dbraw/zinc/82/65/94/1383826594.db2.gz HTGDAKVBBDNTAG-QGZVFWFLSA-N 2 2 332.488 3.444 20 0 EGADLP CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001168144863 1383826597 /nfs/dbraw/zinc/82/65/97/1383826597.db2.gz HTGDAKVBBDNTAG-QGZVFWFLSA-N 2 2 332.488 3.444 20 0 EGADLP Clc1ccccc1C[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168391853 1383893819 /nfs/dbraw/zinc/89/38/19/1383893819.db2.gz ONDMNDVKAQCSNG-UHFFFAOYSA-N 2 2 347.934 3.332 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4[nH+]ccn4c3)CCO2)cc1 ZINC001168629747 1383952101 /nfs/dbraw/zinc/95/21/01/1383952101.db2.gz KMGCNQXDENGZRP-HKUYNNGSSA-N 2 2 337.423 3.353 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734505 1383984533 /nfs/dbraw/zinc/98/45/33/1383984533.db2.gz IEQFNLMMDURQRO-ZWKOTPCHSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734505 1383984535 /nfs/dbraw/zinc/98/45/35/1383984535.db2.gz IEQFNLMMDURQRO-ZWKOTPCHSA-N 2 2 348.918 3.382 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168820188 1384018579 /nfs/dbraw/zinc/01/85/79/1384018579.db2.gz YCFUMBYTHYEXID-YESZJQIVSA-N 2 2 339.524 3.094 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001169099141 1384106865 /nfs/dbraw/zinc/10/68/65/1384106865.db2.gz OCEZMRYNPFOMGB-CLLJXQQHSA-N 2 2 332.341 3.439 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(OC(F)(F)F)ccc1F)C2 ZINC001169099141 1384106867 /nfs/dbraw/zinc/10/68/67/1384106867.db2.gz OCEZMRYNPFOMGB-CLLJXQQHSA-N 2 2 332.341 3.439 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001308375028 1384122738 /nfs/dbraw/zinc/12/27/38/1384122738.db2.gz UCOGMXWMICPGOF-UYAOXDASSA-N 2 2 346.515 3.456 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CC2C[NH+](C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469188 1384326211 /nfs/dbraw/zinc/32/62/11/1384326211.db2.gz JUEGLYXPASMIGW-OSYLJGHBSA-N 2 2 339.524 3.094 20 0 EGADLP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001170899659 1384407790 /nfs/dbraw/zinc/40/77/90/1384407790.db2.gz DFQXJBZRYMNEDT-INIZCTEOSA-N 3 2 329.835 3.090 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152847 1384456225 /nfs/dbraw/zinc/45/62/25/1384456225.db2.gz UMFUFZWSIBXRKJ-INIZCTEOSA-N 2 2 332.492 3.107 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152847 1384456226 /nfs/dbraw/zinc/45/62/26/1384456226.db2.gz UMFUFZWSIBXRKJ-INIZCTEOSA-N 2 2 332.492 3.107 20 0 EGADLP Fc1cccc2c1CC[C@@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)C2 ZINC001171446551 1384526608 /nfs/dbraw/zinc/52/66/08/1384526608.db2.gz RRULXJWIHLDRED-MRXNPFEDSA-N 2 2 343.421 3.476 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)C ZINC001171487933 1384539517 /nfs/dbraw/zinc/53/95/17/1384539517.db2.gz YTLHMYNPFGRMTR-KRWDZBQOSA-N 2 2 349.519 3.334 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576835 1384569100 /nfs/dbraw/zinc/56/91/00/1384569100.db2.gz KGRHPUZNBFUTEU-SJLPKXTDSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577402 1384569703 /nfs/dbraw/zinc/56/97/03/1384569703.db2.gz SBFIJJQOELQEGP-DLBZAZTESA-N 2 2 348.535 3.146 20 0 EGADLP C[C@H]1C[C@H](N2CC[NH+](Cc3ccco3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171762310 1384628955 /nfs/dbraw/zinc/62/89/55/1384628955.db2.gz IYUUUUDHCYNVGU-ICSRJNTNSA-N 2 2 339.483 3.060 20 0 EGADLP C[C@H]1C[C@H](N2CC[NH+](Cc3ccco3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171762310 1384628959 /nfs/dbraw/zinc/62/89/59/1384628959.db2.gz IYUUUUDHCYNVGU-ICSRJNTNSA-N 2 2 339.483 3.060 20 0 EGADLP CC[C@@H](C[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001171861017 1384663332 /nfs/dbraw/zinc/66/33/32/1384663332.db2.gz WXOAGGOWLNIORK-YJBOKZPZSA-N 2 2 349.519 3.310 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CC[C@@](C)(O)[C@@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171978541 1384702849 /nfs/dbraw/zinc/70/28/49/1384702849.db2.gz ZFASEKNWLWWMIZ-CMKODMSKSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CC[C@@](C)(O)[C@@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171978541 1384702852 /nfs/dbraw/zinc/70/28/52/1384702852.db2.gz ZFASEKNWLWWMIZ-CMKODMSKSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@@H]([N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171978541 1384702854 /nfs/dbraw/zinc/70/28/54/1384702854.db2.gz ZFASEKNWLWWMIZ-CMKODMSKSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@@H]([N@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171978541 1384702856 /nfs/dbraw/zinc/70/28/56/1384702856.db2.gz ZFASEKNWLWWMIZ-CMKODMSKSA-N 2 2 334.479 3.224 20 0 EGADLP CC1(C)C[C@H]([NH+]2CCN(CCF)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171987960 1384706133 /nfs/dbraw/zinc/70/61/33/1384706133.db2.gz MPVYPKLTIGMHCD-LJQANCHMSA-N 2 2 333.495 3.017 20 0 EGADLP CC1(C)C[C@H]([NH+]2CCN(CCF)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987960 1384706134 /nfs/dbraw/zinc/70/61/34/1384706134.db2.gz MPVYPKLTIGMHCD-LJQANCHMSA-N 2 2 333.495 3.017 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990785 1384707553 /nfs/dbraw/zinc/70/75/53/1384707553.db2.gz OVFBXNOZQZJUTK-QHAWAJNXSA-N 3 2 341.543 3.313 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990785 1384707558 /nfs/dbraw/zinc/70/75/58/1384707558.db2.gz OVFBXNOZQZJUTK-QHAWAJNXSA-N 3 2 341.543 3.313 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990785 1384707560 /nfs/dbraw/zinc/70/75/60/1384707560.db2.gz OVFBXNOZQZJUTK-QHAWAJNXSA-N 3 2 341.543 3.313 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990785 1384707566 /nfs/dbraw/zinc/70/75/66/1384707566.db2.gz OVFBXNOZQZJUTK-QHAWAJNXSA-N 3 2 341.543 3.313 20 0 EGADLP CC1([NH3+])CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172066613 1384716711 /nfs/dbraw/zinc/71/67/11/1384716711.db2.gz ATWNBECGZFVYGQ-ACDBMABISA-N 3 2 327.516 3.385 20 0 EGADLP CC1([NH3+])CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172066613 1384716714 /nfs/dbraw/zinc/71/67/14/1384716714.db2.gz ATWNBECGZFVYGQ-ACDBMABISA-N 3 2 327.516 3.385 20 0 EGADLP C[N@@H+]1CC[C@H]2CN([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722313 /nfs/dbraw/zinc/72/23/13/1384722313.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 2 339.527 3.208 20 0 EGADLP C[N@H+]1CC[C@H]2CN([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722316 /nfs/dbraw/zinc/72/23/16/1384722316.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 2 339.527 3.208 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722318 /nfs/dbraw/zinc/72/23/18/1384722318.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 2 339.527 3.208 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084360 1384722322 /nfs/dbraw/zinc/72/23/22/1384722322.db2.gz WVLJRJSMBYQJJO-BIRZXAFVSA-N 2 2 339.527 3.208 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112440 1384730349 /nfs/dbraw/zinc/73/03/49/1384730349.db2.gz WWSPDSCMKXGGLU-DKUWSORSSA-N 3 2 341.543 3.298 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001172112440 1384730351 /nfs/dbraw/zinc/73/03/51/1384730351.db2.gz WWSPDSCMKXGGLU-DKUWSORSSA-N 3 2 341.543 3.298 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133718 1384738600 /nfs/dbraw/zinc/73/86/00/1384738600.db2.gz UQPSADSWBXHDGV-VSZNYVQBSA-N 2 2 341.490 3.197 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133718 1384738604 /nfs/dbraw/zinc/73/86/04/1384738604.db2.gz UQPSADSWBXHDGV-VSZNYVQBSA-N 2 2 341.490 3.197 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172204382 1384747476 /nfs/dbraw/zinc/74/74/76/1384747476.db2.gz AUWRCOFKVBZEMY-RTBURBONSA-N 2 2 346.540 3.279 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172204382 1384747478 /nfs/dbraw/zinc/74/74/78/1384747478.db2.gz AUWRCOFKVBZEMY-RTBURBONSA-N 2 2 346.540 3.279 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001172247761 1384755459 /nfs/dbraw/zinc/75/54/59/1384755459.db2.gz VMACQMIIEVWHPT-UHFFFAOYSA-N 2 2 348.384 3.435 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330832 1384772184 /nfs/dbraw/zinc/77/21/84/1384772184.db2.gz OFABGYKGBSKBFC-UKAVVXHISA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330832 1384772187 /nfs/dbraw/zinc/77/21/87/1384772187.db2.gz OFABGYKGBSKBFC-UKAVVXHISA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330832 1384772189 /nfs/dbraw/zinc/77/21/89/1384772189.db2.gz OFABGYKGBSKBFC-UKAVVXHISA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330832 1384772193 /nfs/dbraw/zinc/77/21/93/1384772193.db2.gz OFABGYKGBSKBFC-UKAVVXHISA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001172362215 1384777514 /nfs/dbraw/zinc/77/75/14/1384777514.db2.gz ROSSPNPNQFOXMR-HOTGVXAUSA-N 2 2 335.492 3.242 20 0 EGADLP CC(C)OCC[C@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001172448192 1384794081 /nfs/dbraw/zinc/79/40/81/1384794081.db2.gz MAXFYIDYGKLGQQ-AWEZNQCLSA-N 2 2 345.578 3.231 20 0 EGADLP CCCC[C@H]1C[C@@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172625257 1384821744 /nfs/dbraw/zinc/82/17/44/1384821744.db2.gz CXNFBQPXABXYPS-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP CC1(C)CC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC(C)(C)O1 ZINC001172655861 1384826918 /nfs/dbraw/zinc/82/69/18/1384826918.db2.gz BZUQZCPRCHHVEI-IAGOWNOFSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC(C)(C)O1 ZINC001172656545 1384827870 /nfs/dbraw/zinc/82/78/70/1384827870.db2.gz NXTLZPRKNKNYBU-UHFFFAOYSA-N 2 2 344.459 3.014 20 0 EGADLP CC1(C)CC([N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC(C)(C)O1 ZINC001172656545 1384827874 /nfs/dbraw/zinc/82/78/74/1384827874.db2.gz NXTLZPRKNKNYBU-UHFFFAOYSA-N 2 2 344.459 3.014 20 0 EGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC1 ZINC001172754136 1384844379 /nfs/dbraw/zinc/84/43/79/1384844379.db2.gz WURBFWZHRSKEMT-MRXNPFEDSA-N 2 2 348.487 3.065 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172768958 1384847744 /nfs/dbraw/zinc/84/77/44/1384847744.db2.gz ZWOKLLVTAFIJCH-IAGOWNOFSA-N 2 2 327.428 3.084 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001317086545 1384849059 /nfs/dbraw/zinc/84/90/59/1384849059.db2.gz QYUNQZXYVYAKJP-WDSOQIARSA-N 2 2 346.519 3.432 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779594 1384850368 /nfs/dbraw/zinc/85/03/68/1384850368.db2.gz GSVCSGDODCAYCQ-FJIDUMEYSA-N 2 2 345.487 3.280 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804012 1384855941 /nfs/dbraw/zinc/85/59/41/1384855941.db2.gz RRXBPUUJUUUWSU-FUHWJXTLSA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804012 1384855946 /nfs/dbraw/zinc/85/59/46/1384855946.db2.gz RRXBPUUJUUUWSU-FUHWJXTLSA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809813 1384857786 /nfs/dbraw/zinc/85/77/86/1384857786.db2.gz ZUDGYTLOPDFRGB-QZTJIDSGSA-N 2 2 341.455 3.426 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809813 1384857790 /nfs/dbraw/zinc/85/77/90/1384857790.db2.gz ZUDGYTLOPDFRGB-QZTJIDSGSA-N 2 2 341.455 3.426 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC001172919906 1384879093 /nfs/dbraw/zinc/87/90/93/1384879093.db2.gz YPCHVDBOXAWJDY-ICSRJNTNSA-N 2 2 332.488 3.207 20 0 EGADLP COC(=O)c1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001173709109 1385006504 /nfs/dbraw/zinc/00/65/04/1385006504.db2.gz LNHNSLFIGSILHF-INIZCTEOSA-N 2 2 349.434 3.380 20 0 EGADLP Ic1ccc2c(Nc3cc[nH+]cc3)cc[nH+]c2c1 ZINC001173882326 1385024520 /nfs/dbraw/zinc/02/45/20/1385024520.db2.gz NQFDRYHRTBISFN-UHFFFAOYSA-N 2 2 347.159 3.400 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349925 1385099378 /nfs/dbraw/zinc/09/93/78/1385099378.db2.gz INOQLKOQWINQDB-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349925 1385099382 /nfs/dbraw/zinc/09/93/82/1385099382.db2.gz INOQLKOQWINQDB-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP CCc1ccc(C)[nH+]c1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174429962 1385107466 /nfs/dbraw/zinc/10/74/66/1385107466.db2.gz KCSHAPIDYJACBB-UHFFFAOYSA-N 2 2 341.455 3.407 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2)CC1 ZINC001174816659 1385154276 /nfs/dbraw/zinc/15/42/76/1385154276.db2.gz ZLUMTSDZCWPZDJ-UHFFFAOYSA-N 2 2 337.471 3.177 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638766 1385359778 /nfs/dbraw/zinc/35/97/78/1385359778.db2.gz TUOVSEDVGHPMNC-JKSUJKDBSA-N 2 2 336.524 3.289 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638766 1385359785 /nfs/dbraw/zinc/35/97/85/1385359785.db2.gz TUOVSEDVGHPMNC-JKSUJKDBSA-N 2 2 336.524 3.289 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643602 1385361298 /nfs/dbraw/zinc/36/12/98/1385361298.db2.gz DGQOUTFLOVQZDD-IRXDYDNUSA-N 2 2 336.524 3.433 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643602 1385361302 /nfs/dbraw/zinc/36/13/02/1385361302.db2.gz DGQOUTFLOVQZDD-IRXDYDNUSA-N 2 2 336.524 3.433 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317757962 1385447209 /nfs/dbraw/zinc/44/72/09/1385447209.db2.gz BJXGUOHMIIOQSR-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317757962 1385447214 /nfs/dbraw/zinc/44/72/14/1385447214.db2.gz BJXGUOHMIIOQSR-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317757962 1385447221 /nfs/dbraw/zinc/44/72/21/1385447221.db2.gz BJXGUOHMIIOQSR-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001317757962 1385447223 /nfs/dbraw/zinc/44/72/23/1385447223.db2.gz BJXGUOHMIIOQSR-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cs1 ZINC001176350354 1385558904 /nfs/dbraw/zinc/55/89/04/1385558904.db2.gz BUOVKSOMOVRQBT-ZDUSSCGKSA-N 2 2 348.516 3.095 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001176809581 1385709859 /nfs/dbraw/zinc/70/98/59/1385709859.db2.gz BYBGFAYCTUQFIY-SFHVURJKSA-N 2 2 342.487 3.128 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176830072 1385716149 /nfs/dbraw/zinc/71/61/49/1385716149.db2.gz ZWRCNYSCRPJJKX-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001177348378 1385923615 /nfs/dbraw/zinc/92/36/15/1385923615.db2.gz GCGFDJSJGUIVSG-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCCCCC[NH2+]CCC(C)C)c[nH+]1 ZINC001178808649 1386313342 /nfs/dbraw/zinc/31/33/42/1386313342.db2.gz PFXSECQUJWOQCO-UHFFFAOYSA-N 2 2 336.524 3.239 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811113 1386314124 /nfs/dbraw/zinc/31/41/24/1386314124.db2.gz REASNWAVOSHSSZ-PLNGDYQASA-N 2 2 347.503 3.255 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001319957763 1386418870 /nfs/dbraw/zinc/41/88/70/1386418870.db2.gz YRCIFXRYFRLVKR-CZUORRHYSA-N 2 2 348.878 3.097 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179557183 1386513711 /nfs/dbraw/zinc/51/37/11/1386513711.db2.gz CDOPKJXVMDWPPU-HZPDHXFCSA-N 2 2 334.508 3.142 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179558339 1386514530 /nfs/dbraw/zinc/51/45/30/1386514530.db2.gz SBUCNEVDTBZBHT-MRXNPFEDSA-N 2 2 334.508 3.286 20 0 EGADLP C[C@](C[NH2+]CC1CCC(C)(C)CC1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001698652408 1406302386 /nfs/dbraw/zinc/30/23/86/1406302386.db2.gz PCZADSDPOHTIRH-HXUWFJFHSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179776651 1386580674 /nfs/dbraw/zinc/58/06/74/1386580674.db2.gz CVJGNLXBMDYUJH-QGZVFWFLSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179776651 1386580681 /nfs/dbraw/zinc/58/06/81/1386580681.db2.gz CVJGNLXBMDYUJH-QGZVFWFLSA-N 2 2 348.535 3.435 20 0 EGADLP CC[C@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001179906790 1386623850 /nfs/dbraw/zinc/62/38/50/1386623850.db2.gz LNHKPIJRKQQHCQ-SFHVURJKSA-N 2 2 342.487 3.370 20 0 EGADLP CC[C@@H]([NH2+]CCN(CC)C(=O)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001320854018 1386738974 /nfs/dbraw/zinc/73/89/74/1386738974.db2.gz GXCWKHNCIFYFCZ-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181646995 1387030550 /nfs/dbraw/zinc/03/05/50/1387030550.db2.gz RVMPCUACCXWAIK-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181646995 1387030553 /nfs/dbraw/zinc/03/05/53/1387030553.db2.gz RVMPCUACCXWAIK-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861583 1387248948 /nfs/dbraw/zinc/24/89/48/1387248948.db2.gz JNPLJGUTXWPCII-MAUKXSAKSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861583 1387248951 /nfs/dbraw/zinc/24/89/51/1387248951.db2.gz JNPLJGUTXWPCII-MAUKXSAKSA-N 2 2 347.409 3.278 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC1 ZINC001329742397 1389215826 /nfs/dbraw/zinc/21/58/26/1389215826.db2.gz NOLPGHMLYOTHLJ-KRWDZBQOSA-N 2 2 342.487 3.211 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001331997443 1389939496 /nfs/dbraw/zinc/93/94/96/1389939496.db2.gz OVGCMZNRYAFTKB-CJNGLKHVSA-N 2 2 328.460 3.192 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001698756771 1406409690 /nfs/dbraw/zinc/40/96/90/1406409690.db2.gz OFRWUEMLAMWMBM-OAHLLOKOSA-N 2 2 339.483 3.471 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001332270476 1390071649 /nfs/dbraw/zinc/07/16/49/1390071649.db2.gz DKEMDCZCLNVQFI-WBVHZDCISA-N 2 2 342.487 3.487 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)n2)c1 ZINC001333658101 1390367150 /nfs/dbraw/zinc/36/71/50/1390367150.db2.gz MKRDKIWOAHURHD-CQSZACIVSA-N 2 2 343.496 3.393 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)n2)c1 ZINC001333658101 1390367154 /nfs/dbraw/zinc/36/71/54/1390367154.db2.gz MKRDKIWOAHURHD-CQSZACIVSA-N 2 2 343.496 3.393 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC001342503106 1390619633 /nfs/dbraw/zinc/61/96/33/1390619633.db2.gz KHZUAHQRAKXKTF-GFCCVEGCSA-N 2 2 338.249 3.230 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC001342503106 1390619636 /nfs/dbraw/zinc/61/96/36/1390619636.db2.gz KHZUAHQRAKXKTF-GFCCVEGCSA-N 2 2 338.249 3.230 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCOc2ccccc2F)[nH+]1 ZINC001335059448 1390636741 /nfs/dbraw/zinc/63/67/41/1390636741.db2.gz GSIHQFMVGPXNIG-INIZCTEOSA-N 2 2 329.419 3.484 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOc2ccccc2F)[nH+]1 ZINC001335059448 1390636742 /nfs/dbraw/zinc/63/67/42/1390636742.db2.gz GSIHQFMVGPXNIG-INIZCTEOSA-N 2 2 329.419 3.484 20 0 EGADLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC001335345865 1390674581 /nfs/dbraw/zinc/67/45/81/1390674581.db2.gz PMUQWLCQYMEVQS-HNNXBMFYSA-N 2 2 341.377 3.349 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001480729488 1392890654 /nfs/dbraw/zinc/89/06/54/1392890654.db2.gz ZGWPCQARTYTQQQ-KRWDZBQOSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001480729488 1392890657 /nfs/dbraw/zinc/89/06/57/1392890657.db2.gz ZGWPCQARTYTQQQ-KRWDZBQOSA-N 2 2 348.535 3.102 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001490934495 1394378925 /nfs/dbraw/zinc/37/89/25/1394378925.db2.gz OPPQQHZMLBXPPR-SZMVWBNQSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001490934495 1394378930 /nfs/dbraw/zinc/37/89/30/1394378930.db2.gz OPPQQHZMLBXPPR-SZMVWBNQSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C[NH2+]C(C)C)CCCC[C@@H]3C)ccn12 ZINC001481959517 1394620362 /nfs/dbraw/zinc/62/03/62/1394620362.db2.gz YKOKKHFMXLGEIW-MGPUTAFESA-N 2 2 342.487 3.319 20 0 EGADLP CC(C)[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001481960827 1394621636 /nfs/dbraw/zinc/62/16/36/1394621636.db2.gz HROHRXZZMJKRCA-KXBFYZLASA-N 2 2 328.460 3.011 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001482494680 1395046931 /nfs/dbraw/zinc/04/69/31/1395046931.db2.gz OUGHPKGZJVGUAO-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484143712 1395279617 /nfs/dbraw/zinc/27/96/17/1395279617.db2.gz OTPQHNNWUPABQC-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484143712 1395279622 /nfs/dbraw/zinc/27/96/22/1395279622.db2.gz OTPQHNNWUPABQC-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CCC[N@H+](CCCC(C)(C)C)C1 ZINC001484175007 1395321554 /nfs/dbraw/zinc/32/15/54/1395321554.db2.gz SUVXOEPFMDJWDX-FQEVSTJZSA-N 2 2 348.535 3.007 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001484175007 1395321560 /nfs/dbraw/zinc/32/15/60/1395321560.db2.gz SUVXOEPFMDJWDX-FQEVSTJZSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001491964455 1396301264 /nfs/dbraw/zinc/30/12/64/1396301264.db2.gz ZBBZEPQZOMYPTF-MRXNPFEDSA-N 2 2 334.508 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001491964455 1396301265 /nfs/dbraw/zinc/30/12/65/1396301265.db2.gz ZBBZEPQZOMYPTF-MRXNPFEDSA-N 2 2 334.508 3.010 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001492304059 1396318404 /nfs/dbraw/zinc/31/84/04/1396318404.db2.gz OGOVSTPGHBJCMG-LJQANCHMSA-N 2 2 336.439 3.376 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001492304059 1396318405 /nfs/dbraw/zinc/31/84/05/1396318405.db2.gz OGOVSTPGHBJCMG-LJQANCHMSA-N 2 2 336.439 3.376 20 0 EGADLP CCCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CCCF)CC1 ZINC001690135048 1404332188 /nfs/dbraw/zinc/33/21/88/1404332188.db2.gz ACWCTRXXKLGFJU-UHFFFAOYSA-N 2 2 346.450 3.011 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001690138796 1404336412 /nfs/dbraw/zinc/33/64/12/1404336412.db2.gz PPPBMMAIMBUBMS-UHFFFAOYSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CC1CCCCCC1 ZINC001725176325 1425693023 /nfs/dbraw/zinc/69/30/23/1425693023.db2.gz OKMIZHIRYOTXRB-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CC1CCCCCC1 ZINC001725176325 1425693026 /nfs/dbraw/zinc/69/30/26/1425693026.db2.gz OKMIZHIRYOTXRB-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001692217383 1405850707 /nfs/dbraw/zinc/85/07/07/1405850707.db2.gz KIWPITOPAQNKKI-QGZVFWFLSA-N 2 2 343.515 3.060 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001732134354 1428380649 /nfs/dbraw/zinc/38/06/49/1428380649.db2.gz PEZFCKOVQPUIMJ-LPHOPBHVSA-N 2 2 340.471 3.034 20 0 EGADLP C[C@@H](CC(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001699773263 1413180841 /nfs/dbraw/zinc/18/08/41/1413180841.db2.gz NFZXTEQWORDZHK-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460852 1414057812 /nfs/dbraw/zinc/05/78/12/1414057812.db2.gz MFRCNRPQNCOAAM-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460852 1414057816 /nfs/dbraw/zinc/05/78/16/1414057816.db2.gz MFRCNRPQNCOAAM-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460852 1414057823 /nfs/dbraw/zinc/05/78/23/1414057823.db2.gz MFRCNRPQNCOAAM-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460852 1414057826 /nfs/dbraw/zinc/05/78/26/1414057826.db2.gz MFRCNRPQNCOAAM-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001700461107 1414059998 /nfs/dbraw/zinc/05/99/98/1414059998.db2.gz OCTWWVCNEKXMLE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001700461107 1414059999 /nfs/dbraw/zinc/05/99/99/1414059999.db2.gz OCTWWVCNEKXMLE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001700461107 1414060008 /nfs/dbraw/zinc/06/00/08/1414060008.db2.gz OCTWWVCNEKXMLE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001700461107 1414060014 /nfs/dbraw/zinc/06/00/14/1414060014.db2.gz OCTWWVCNEKXMLE-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001732584440 1428794652 /nfs/dbraw/zinc/79/46/52/1428794652.db2.gz TZNRJSKXHQBOHP-UHFFFAOYSA-N 2 2 342.468 3.137 20 0 EGADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001732584440 1428794654 /nfs/dbraw/zinc/79/46/54/1428794654.db2.gz TZNRJSKXHQBOHP-UHFFFAOYSA-N 2 2 342.468 3.137 20 0 EGADLP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001733005996 1429126805 /nfs/dbraw/zinc/12/68/05/1429126805.db2.gz AMRXCWHHPZZWMY-INIZCTEOSA-N 2 2 339.483 3.477 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C[N@@H+](C)CC(C)C)C3)ccn12 ZINC001713130889 1417703878 /nfs/dbraw/zinc/70/38/78/1417703878.db2.gz RCCUTEVPLXJMCB-KRWDZBQOSA-N 2 2 342.487 3.083 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C[N@H+](C)CC(C)C)C3)ccn12 ZINC001713130889 1417703880 /nfs/dbraw/zinc/70/38/80/1417703880.db2.gz RCCUTEVPLXJMCB-KRWDZBQOSA-N 2 2 342.487 3.083 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001713137334 1417720975 /nfs/dbraw/zinc/72/09/75/1417720975.db2.gz YSQPWFIFEORADP-SJLPKXTDSA-N 2 2 348.535 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001713137334 1417720978 /nfs/dbraw/zinc/72/09/78/1417720978.db2.gz YSQPWFIFEORADP-SJLPKXTDSA-N 2 2 348.535 3.113 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713462585 1418121359 /nfs/dbraw/zinc/12/13/59/1418121359.db2.gz WXUGFEXBZGKBFG-KRWDZBQOSA-N 2 2 342.487 3.216 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713462585 1418121362 /nfs/dbraw/zinc/12/13/62/1418121362.db2.gz WXUGFEXBZGKBFG-KRWDZBQOSA-N 2 2 342.487 3.216 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153460 1418961225 /nfs/dbraw/zinc/96/12/25/1418961225.db2.gz HWMXIQCHLOZDBV-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153460 1418961229 /nfs/dbraw/zinc/96/12/29/1418961229.db2.gz HWMXIQCHLOZDBV-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001714606971 1419365640 /nfs/dbraw/zinc/36/56/40/1419365640.db2.gz JZYFTWICYAYAQV-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@H](C)c1ccccc1Cl ZINC001715233983 1419965313 /nfs/dbraw/zinc/96/53/13/1419965313.db2.gz OHHFGZMANUZMHX-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@H](C)c1ccccc1Cl ZINC001715233983 1419965316 /nfs/dbraw/zinc/96/53/16/1419965316.db2.gz OHHFGZMANUZMHX-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@H](C)c1ccccc1C)C(C)C ZINC001715502782 1420185812 /nfs/dbraw/zinc/18/58/12/1420185812.db2.gz BOMUVFVYIALDFE-BEFAXECRSA-N 2 2 342.487 3.061 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715935023 1420406896 /nfs/dbraw/zinc/40/68/96/1420406896.db2.gz CXJTYOVZHNVDHK-OLZOCXBDSA-N 2 2 340.402 3.171 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001715983602 1420442225 /nfs/dbraw/zinc/44/22/25/1420442225.db2.gz DCQLJDCNLCIOFV-WMLDXEAASA-N 2 2 348.878 3.172 20 0 EGADLP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001716715219 1420870845 /nfs/dbraw/zinc/87/08/45/1420870845.db2.gz PHJVHRKKMGSLBI-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001716715219 1420870847 /nfs/dbraw/zinc/87/08/47/1420870847.db2.gz PHJVHRKKMGSLBI-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001717309430 1421251752 /nfs/dbraw/zinc/25/17/52/1421251752.db2.gz MQBFSQZRKFYSAY-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001717309430 1421251755 /nfs/dbraw/zinc/25/17/55/1421251755.db2.gz MQBFSQZRKFYSAY-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCC2)CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001717309430 1421251757 /nfs/dbraw/zinc/25/17/57/1421251757.db2.gz MQBFSQZRKFYSAY-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCC2)CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001717309430 1421251759 /nfs/dbraw/zinc/25/17/59/1421251759.db2.gz MQBFSQZRKFYSAY-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001724859110 1425240439 /nfs/dbraw/zinc/24/04/39/1425240439.db2.gz WRCPPDBBNQHWTR-LJQANCHMSA-N 2 2 342.487 3.192 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001724859110 1425240443 /nfs/dbraw/zinc/24/04/43/1425240443.db2.gz WRCPPDBBNQHWTR-LJQANCHMSA-N 2 2 342.487 3.192 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001725148571 1425632137 /nfs/dbraw/zinc/63/21/37/1425632137.db2.gz FVOHBYQVSDZJCZ-MRXNPFEDSA-N 2 2 342.487 3.096 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001725515014 1426204818 /nfs/dbraw/zinc/20/48/18/1426204818.db2.gz LQIFHKDABMOUIR-HNNXBMFYSA-N 2 2 342.487 3.021 20 0 EGADLP O=C(NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001731400041 1427359816 /nfs/dbraw/zinc/35/98/16/1427359816.db2.gz UFNCTLVXRJZXNS-QGZVFWFLSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cs1 ZINC001731605607 1427650312 /nfs/dbraw/zinc/65/03/12/1427650312.db2.gz HFKMADORBOUADL-ZDUSSCGKSA-N 2 2 331.485 3.285 20 0 EGADLP CCC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001731866551 1428114954 /nfs/dbraw/zinc/11/49/54/1428114954.db2.gz KHXWCGUXBZAMIT-QGZVFWFLSA-N 2 2 348.535 3.100 20 0 EGADLP CCC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001731866551 1428114957 /nfs/dbraw/zinc/11/49/57/1428114957.db2.gz KHXWCGUXBZAMIT-QGZVFWFLSA-N 2 2 348.535 3.100 20 0 EGADLP C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001731996580 1428205944 /nfs/dbraw/zinc/20/59/44/1428205944.db2.gz MTQGDSBFEQUKJZ-AWEZNQCLSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001734328481 1438053021 /nfs/dbraw/zinc/05/30/21/1438053021.db2.gz MZECGYLOHVTNAH-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001734328481 1438053024 /nfs/dbraw/zinc/05/30/24/1438053024.db2.gz MZECGYLOHVTNAH-KBXCAEBGSA-N 2 2 346.450 3.069 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCCC3CCCC3)ccn12 ZINC001752873016 1440237403 /nfs/dbraw/zinc/23/74/03/1440237403.db2.gz MZYDZTFPKCJINW-HNNXBMFYSA-N 2 2 342.487 3.321 20 0 EGADLP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752993400 1440260703 /nfs/dbraw/zinc/26/07/03/1440260703.db2.gz FUVHWJSWZKWBEQ-KRWDZBQOSA-N 2 2 342.487 3.451 20 0 EGADLP CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752993400 1440260704 /nfs/dbraw/zinc/26/07/04/1440260704.db2.gz FUVHWJSWZKWBEQ-KRWDZBQOSA-N 2 2 342.487 3.451 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999261 1440263582 /nfs/dbraw/zinc/26/35/82/1440263582.db2.gz WQZWNYCEFDTQPI-WMZOPIPTSA-N 2 2 334.508 3.193 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999261 1440263583 /nfs/dbraw/zinc/26/35/83/1440263583.db2.gz WQZWNYCEFDTQPI-WMZOPIPTSA-N 2 2 334.508 3.193 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@@H+]2CCCC2CCC2)c[nH+]1 ZINC001753103279 1440305375 /nfs/dbraw/zinc/30/53/75/1440305375.db2.gz JZQGUGVTNLGUKH-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@H+]2CCCC2CCC2)c[nH+]1 ZINC001753103279 1440305376 /nfs/dbraw/zinc/30/53/76/1440305376.db2.gz JZQGUGVTNLGUKH-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP CC(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001753294001 1440351411 /nfs/dbraw/zinc/35/14/11/1440351411.db2.gz BXFOVODFXFYBRA-IBGZPJMESA-N 2 2 342.487 3.110 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001753337845 1440373406 /nfs/dbraw/zinc/37/34/06/1440373406.db2.gz CVTJAZSDRYWBPI-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001753337845 1440373407 /nfs/dbraw/zinc/37/34/07/1440373407.db2.gz CVTJAZSDRYWBPI-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1)n1cc[nH+]c1 ZINC001753550734 1440434971 /nfs/dbraw/zinc/43/49/71/1440434971.db2.gz WUQFGSKNFFSGQO-MOPGFXCFSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001753587262 1440441620 /nfs/dbraw/zinc/44/16/20/1440441620.db2.gz ARBUJECTESYTQQ-BZSNNMDCSA-N 2 2 348.535 3.052 20 0 EGADLP C[C@H](CC(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001753598419 1440445585 /nfs/dbraw/zinc/44/55/85/1440445585.db2.gz GEQKUPFRXNUSGT-TVRKMHQQSA-N 2 2 346.519 3.099 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001753604075 1440447719 /nfs/dbraw/zinc/44/77/19/1440447719.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 2 344.503 3.013 20 0 EGADLP CC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001753604075 1440447720 /nfs/dbraw/zinc/44/77/20/1440447720.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 2 344.503 3.013 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001753604075 1440447721 /nfs/dbraw/zinc/44/77/21/1440447721.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 2 344.503 3.013 20 0 EGADLP CC/C=C\CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001753604075 1440447722 /nfs/dbraw/zinc/44/77/22/1440447722.db2.gz UFAILJQHQYKZAQ-ARJAWSKDSA-N 2 2 344.503 3.013 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001753703342 1440469014 /nfs/dbraw/zinc/46/90/14/1440469014.db2.gz CZXQHRLPAJNZNT-OAHLLOKOSA-N 2 2 331.504 3.493 20 0 EGADLP CC(C)C[C@@H](C[NH2+]CC1CCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753735794 1440477663 /nfs/dbraw/zinc/47/76/63/1440477663.db2.gz CULQTMJVQTZTLJ-KRWDZBQOSA-N 2 2 342.487 3.487 20 0 EGADLP CC[C@H](F)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753737032 1440478028 /nfs/dbraw/zinc/47/80/28/1440478028.db2.gz MXBBYVQIWUAYJN-DLBZAZTESA-N 2 2 337.483 3.489 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001753749406 1440482013 /nfs/dbraw/zinc/48/20/13/1440482013.db2.gz JOPLVGFQLCVBQL-KRWDZBQOSA-N 2 2 348.535 3.433 20 0 EGADLP CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC1CCCCCC1 ZINC001753836251 1440501134 /nfs/dbraw/zinc/50/11/34/1440501134.db2.gz XSDPVACPEKKALT-GOSISDBHSA-N 2 2 348.535 3.054 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+][C@@H]3CCc4ccccc43)ccn12 ZINC001754267177 1440560817 /nfs/dbraw/zinc/56/08/17/1440560817.db2.gz ABUQJTDDOPMBAT-IFXJQAMLSA-N 2 2 348.450 3.038 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754347514 1440590072 /nfs/dbraw/zinc/59/00/72/1440590072.db2.gz ZANQITPZTVBKOV-ZBFHGGJFSA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754347513 1440590101 /nfs/dbraw/zinc/59/01/01/1440590101.db2.gz ZANQITPZTVBKOV-HOCLYGCPSA-N 2 2 328.460 3.097 20 0 EGADLP CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001754468525 1440604885 /nfs/dbraw/zinc/60/48/85/1440604885.db2.gz OTONUKDCPWQRER-RTBURBONSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[N@H+](CCNC(=O)CCc1[nH+]ccn1C)C1CCCCCC1 ZINC001754545665 1440627337 /nfs/dbraw/zinc/62/73/37/1440627337.db2.gz SCFZOTUNJUFMLB-UHFFFAOYSA-N 2 2 348.535 3.150 20 0 EGADLP CC(C)C[N@@H+](CCNC(=O)CCc1[nH+]ccn1C)C1CCCCCC1 ZINC001754545665 1440627338 /nfs/dbraw/zinc/62/73/38/1440627338.db2.gz SCFZOTUNJUFMLB-UHFFFAOYSA-N 2 2 348.535 3.150 20 0 EGADLP CC(C)C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754552700 1440630280 /nfs/dbraw/zinc/63/02/80/1440630280.db2.gz LPPXJSQPUCJMQJ-CEXWTWQISA-N 2 2 346.519 3.192 20 0 EGADLP CC(C)C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754552700 1440630281 /nfs/dbraw/zinc/63/02/81/1440630281.db2.gz LPPXJSQPUCJMQJ-CEXWTWQISA-N 2 2 346.519 3.192 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001754706660 1440669229 /nfs/dbraw/zinc/66/92/29/1440669229.db2.gz DRGMAPCLZGXDMM-LPHOPBHVSA-N 2 2 334.508 3.099 20 0 EGADLP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001754831536 1440695585 /nfs/dbraw/zinc/69/55/85/1440695585.db2.gz DZNMMYSZLHOHKL-REPLKXPHSA-N 2 2 346.519 3.069 20 0 EGADLP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001754831536 1440695586 /nfs/dbraw/zinc/69/55/86/1440695586.db2.gz DZNMMYSZLHOHKL-REPLKXPHSA-N 2 2 346.519 3.069 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](CC[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001754923283 1440709625 /nfs/dbraw/zinc/70/96/25/1440709625.db2.gz LSDJJGLQVKDJNI-IEXSPKMKSA-N 2 2 335.879 3.201 20 0 EGADLP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755040468 1440736932 /nfs/dbraw/zinc/73/69/32/1440736932.db2.gz VMJKDQWQROQTNL-KRWDZBQOSA-N 2 2 348.535 3.052 20 0 EGADLP CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755040468 1440736933 /nfs/dbraw/zinc/73/69/33/1440736933.db2.gz VMJKDQWQROQTNL-KRWDZBQOSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]([NH2+]CCCC(C)C)[C@@H](C)C3)ccn12 ZINC001755108530 1440753938 /nfs/dbraw/zinc/75/39/38/1440753938.db2.gz HDNPWHNBNBWFOH-YJBOKZPZSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165477 1440766889 /nfs/dbraw/zinc/76/68/89/1440766889.db2.gz MJKUNAXQTFPIRA-ZWKOTPCHSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165477 1440766890 /nfs/dbraw/zinc/76/68/90/1440766890.db2.gz MJKUNAXQTFPIRA-ZWKOTPCHSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193980 1440776049 /nfs/dbraw/zinc/77/60/49/1440776049.db2.gz KKCLBMITYAIIGB-KRWDZBQOSA-N 2 2 342.487 3.307 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193980 1440776050 /nfs/dbraw/zinc/77/60/50/1440776050.db2.gz KKCLBMITYAIIGB-KRWDZBQOSA-N 2 2 342.487 3.307 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCCCCC1)C(=O)CCn1cc[nH+]c1 ZINC001755283621 1440801254 /nfs/dbraw/zinc/80/12/54/1440801254.db2.gz XFYVRCXVFSZBJL-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)(C)C)ccn12 ZINC001755587432 1440880707 /nfs/dbraw/zinc/88/07/07/1440880707.db2.gz CWSISEBCBBUWCT-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C/c1ccccc1 ZINC001755593386 1440882035 /nfs/dbraw/zinc/88/20/35/1440882035.db2.gz WOGHFRDRYWDNQW-FSNWXROXSA-N 2 2 348.450 3.326 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001755701011 1440899971 /nfs/dbraw/zinc/89/99/71/1440899971.db2.gz LRXPRMPXWQFOOH-XKGZKEIXSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001755701011 1440899972 /nfs/dbraw/zinc/89/99/72/1440899972.db2.gz LRXPRMPXWQFOOH-XKGZKEIXSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001755701011 1440899973 /nfs/dbraw/zinc/89/99/73/1440899973.db2.gz LRXPRMPXWQFOOH-XKGZKEIXSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001755701011 1440899974 /nfs/dbraw/zinc/89/99/74/1440899974.db2.gz LRXPRMPXWQFOOH-XKGZKEIXSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)N(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755814935 1440922991 /nfs/dbraw/zinc/92/29/91/1440922991.db2.gz URHFVTWNJSQMLJ-KRWDZBQOSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)N(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755814935 1440922992 /nfs/dbraw/zinc/92/29/92/1440922992.db2.gz URHFVTWNJSQMLJ-KRWDZBQOSA-N 2 2 348.535 3.439 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[NH+](CC(C)C)CC3)c2cc1OC ZINC000663335906 719333724 /nfs/dbraw/zinc/33/37/24/719333724.db2.gz WSVJZHNLYCOSEY-UHFFFAOYSA-N 2 2 329.444 3.030 20 0 EGADLP COc1ccc(C)[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859257 720959037 /nfs/dbraw/zinc/95/90/37/720959037.db2.gz LXFLLSYUUNFFEP-HNNXBMFYSA-N 2 2 343.475 3.017 20 0 EGADLP COc1ccc(C)[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859257 720959041 /nfs/dbraw/zinc/95/90/41/720959041.db2.gz LXFLLSYUUNFFEP-HNNXBMFYSA-N 2 2 343.475 3.017 20 0 EGADLP C[C@@]1(C[NH2+]Cc2c[nH]c3nccnc23)CCC[N@@H+]1Cc1ccccc1 ZINC000368229869 168328706 /nfs/dbraw/zinc/32/87/06/168328706.db2.gz XOIKHCNYZRKFJP-FQEVSTJZSA-N 2 2 335.455 3.054 20 0 EGADLP C[C@@]1(C[NH2+]Cc2c[nH]c3nccnc23)CCC[N@H+]1Cc1ccccc1 ZINC000368229869 168328708 /nfs/dbraw/zinc/32/87/08/168328708.db2.gz XOIKHCNYZRKFJP-FQEVSTJZSA-N 2 2 335.455 3.054 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCc4sccc4C3)c2cc1C ZINC000051283016 214086684 /nfs/dbraw/zinc/08/66/84/214086684.db2.gz LFEIVGCTDSGVRK-MRXNPFEDSA-N 2 2 341.480 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCc4sccc4C3)c2cc1C ZINC000051283016 214086688 /nfs/dbraw/zinc/08/66/88/214086688.db2.gz LFEIVGCTDSGVRK-MRXNPFEDSA-N 2 2 341.480 3.134 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531159 168369110 /nfs/dbraw/zinc/36/91/10/168369110.db2.gz TYYMLWXISNIQDK-FPOVZHCZSA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531159 168369111 /nfs/dbraw/zinc/36/91/11/168369111.db2.gz TYYMLWXISNIQDK-FPOVZHCZSA-N 2 2 338.499 3.373 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+](C)C ZINC000177917939 529619831 /nfs/dbraw/zinc/61/98/31/529619831.db2.gz XWEGIJKZQLHPFA-QGZVFWFLSA-N 2 2 326.444 3.165 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000178435142 529899024 /nfs/dbraw/zinc/89/90/24/529899024.db2.gz HWNPBGNPBSLIID-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000178435142 529899025 /nfs/dbraw/zinc/89/90/25/529899025.db2.gz HWNPBGNPBSLIID-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780391 530065038 /nfs/dbraw/zinc/06/50/38/530065038.db2.gz AJMKMMKJQHKWJU-BBRMVZONSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780391 530065039 /nfs/dbraw/zinc/06/50/39/530065039.db2.gz AJMKMMKJQHKWJU-BBRMVZONSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780391 530065040 /nfs/dbraw/zinc/06/50/40/530065040.db2.gz AJMKMMKJQHKWJU-BBRMVZONSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780391 530065041 /nfs/dbraw/zinc/06/50/41/530065041.db2.gz AJMKMMKJQHKWJU-BBRMVZONSA-N 2 2 346.862 3.306 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054334 213007165 /nfs/dbraw/zinc/00/71/65/213007165.db2.gz JRMUDSMSMXYSJV-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000037904769 213172674 /nfs/dbraw/zinc/17/26/74/213172674.db2.gz RUIVIJDDWJUYOI-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000037904769 213172678 /nfs/dbraw/zinc/17/26/78/213172678.db2.gz RUIVIJDDWJUYOI-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C[C@H](C)O)cc3)[nH+]c12 ZINC000130834448 223179893 /nfs/dbraw/zinc/17/98/93/223179893.db2.gz YTZQRYCDJOSREF-INIZCTEOSA-N 2 2 339.439 3.034 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)C[C@H](C)O)cc3)[nH+]c12 ZINC000130834448 223179895 /nfs/dbraw/zinc/17/98/95/223179895.db2.gz YTZQRYCDJOSREF-INIZCTEOSA-N 2 2 339.439 3.034 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832949 239326688 /nfs/dbraw/zinc/32/66/88/239326688.db2.gz XRHJDPSLXVHXHS-PXNSSMCTSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832949 239326694 /nfs/dbraw/zinc/32/66/94/239326694.db2.gz XRHJDPSLXVHXHS-PXNSSMCTSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCCOC1 ZINC000356860364 296119388 /nfs/dbraw/zinc/11/93/88/296119388.db2.gz YUSDCPQFOGSACZ-HBFSDRIKSA-N 2 2 346.515 3.291 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000079000137 217171307 /nfs/dbraw/zinc/17/13/07/217171307.db2.gz IKCVLPSNPCTJIU-UHFFFAOYSA-N 2 2 336.476 3.067 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000266196872 248165988 /nfs/dbraw/zinc/16/59/88/248165988.db2.gz VLEXIGWKRFOTCD-NSHDSACASA-N 2 2 344.286 3.394 20 0 EGADLP COCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C)o1 ZINC000378502975 169132777 /nfs/dbraw/zinc/13/27/77/169132777.db2.gz XAHCWFKWZKLLMA-IBGZPJMESA-N 2 2 343.471 3.315 20 0 EGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597361 218234166 /nfs/dbraw/zinc/23/41/66/218234166.db2.gz IIVAJEHYDWJFKY-KRWDZBQOSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597361 218234168 /nfs/dbraw/zinc/23/41/68/218234168.db2.gz IIVAJEHYDWJFKY-KRWDZBQOSA-N 2 2 326.488 3.364 20 0 EGADLP C[NH+]1CCC(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112211308 220261687 /nfs/dbraw/zinc/26/16/87/220261687.db2.gz MFWNROBTZCHOLO-UHFFFAOYSA-N 2 2 326.400 3.090 20 0 EGADLP COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)c1ccccc1 ZINC000267390892 251014670 /nfs/dbraw/zinc/01/46/70/251014670.db2.gz OPKPLFKGFLVBLO-QGZVFWFLSA-N 2 2 336.439 3.477 20 0 EGADLP COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)c1ccccc1 ZINC000267390892 251014675 /nfs/dbraw/zinc/01/46/75/251014675.db2.gz OPKPLFKGFLVBLO-QGZVFWFLSA-N 2 2 336.439 3.477 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000268686877 252139221 /nfs/dbraw/zinc/13/92/21/252139221.db2.gz YTYTWIHFNWWNLU-LJQANCHMSA-N 2 2 344.499 3.464 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000268686877 252139225 /nfs/dbraw/zinc/13/92/25/252139225.db2.gz YTYTWIHFNWWNLU-LJQANCHMSA-N 2 2 344.499 3.464 20 0 EGADLP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268763503 252213413 /nfs/dbraw/zinc/21/34/13/252213413.db2.gz MMCIWFWRBZZOKG-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268763503 252213417 /nfs/dbraw/zinc/21/34/17/252213417.db2.gz MMCIWFWRBZZOKG-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000268844712 252291729 /nfs/dbraw/zinc/29/17/29/252291729.db2.gz OOCPEVPWOIUSNJ-QFBILLFUSA-N 2 2 338.499 3.181 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](C)C1 ZINC000268844712 252291731 /nfs/dbraw/zinc/29/17/31/252291731.db2.gz OOCPEVPWOIUSNJ-QFBILLFUSA-N 2 2 338.499 3.181 20 0 EGADLP CC(C)[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112628794 220359554 /nfs/dbraw/zinc/35/95/54/220359554.db2.gz IBDGJODVGAJFOQ-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP C[N@H+](CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CCCC1 ZINC000112635964 220360640 /nfs/dbraw/zinc/36/06/40/220360640.db2.gz BXWHMLYFZYVRJW-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP C[N@@H+](CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CCCC1 ZINC000112635964 220360644 /nfs/dbraw/zinc/36/06/44/220360644.db2.gz BXWHMLYFZYVRJW-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc[nH+]1 ZINC000119157148 221255572 /nfs/dbraw/zinc/25/55/72/221255572.db2.gz PTDUNQNYQHTDHB-HNNXBMFYSA-N 2 2 330.457 3.410 20 0 EGADLP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc[nH+]1 ZINC000119419400 221316178 /nfs/dbraw/zinc/31/61/78/221316178.db2.gz PRMMIGJVNIUTQS-UHFFFAOYSA-N 2 2 338.455 3.485 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958114 533414450 /nfs/dbraw/zinc/41/44/50/533414450.db2.gz ITXANKGPIFSSQL-RHSMWYFYSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958114 533414454 /nfs/dbraw/zinc/41/44/54/533414454.db2.gz ITXANKGPIFSSQL-RHSMWYFYSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCCCCC[NH3+])C[C@@H](C)O1 ZINC000237517264 141005706 /nfs/dbraw/zinc/00/57/06/141005706.db2.gz LGLVJPZNLFENFG-IAGOWNOFSA-N 2 2 347.503 3.144 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039382 /nfs/dbraw/zinc/03/93/82/141039382.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 3 2 329.532 3.359 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039384 /nfs/dbraw/zinc/03/93/84/141039384.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039386 /nfs/dbraw/zinc/03/93/86/141039386.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000246864514 141039388 /nfs/dbraw/zinc/03/93/88/141039388.db2.gz CQLVGNNCXHCXGG-ZSXPUABSSA-N 3 2 329.532 3.359 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246983314 141047666 /nfs/dbraw/zinc/04/76/66/141047666.db2.gz OZHLVIWPZODFQP-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246983314 141047668 /nfs/dbraw/zinc/04/76/68/141047668.db2.gz OZHLVIWPZODFQP-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246983314 141047670 /nfs/dbraw/zinc/04/76/70/141047670.db2.gz OZHLVIWPZODFQP-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246983314 141047672 /nfs/dbraw/zinc/04/76/72/141047672.db2.gz OZHLVIWPZODFQP-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000338367713 141109204 /nfs/dbraw/zinc/10/92/04/141109204.db2.gz VLBIORUIDOVTDE-SFHVURJKSA-N 2 2 340.515 3.477 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000338367713 141109207 /nfs/dbraw/zinc/10/92/07/141109207.db2.gz VLBIORUIDOVTDE-SFHVURJKSA-N 2 2 340.515 3.477 20 0 EGADLP Cc1[nH+]ccn1CCN1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000339452056 141114548 /nfs/dbraw/zinc/11/45/48/141114548.db2.gz YRPCRZIOQITITF-UHFFFAOYSA-N 2 2 326.488 3.133 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000339452056 141114552 /nfs/dbraw/zinc/11/45/52/141114552.db2.gz YRPCRZIOQITITF-UHFFFAOYSA-N 2 2 326.488 3.133 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)c[nH+]c12 ZINC000339500504 141123681 /nfs/dbraw/zinc/12/36/81/141123681.db2.gz ACWTUEOAAOVCSG-FATZIPQQSA-N 2 2 327.453 3.231 20 0 EGADLP COc1ccc([C@H](CN(C)C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000342847234 141152504 /nfs/dbraw/zinc/15/25/04/141152504.db2.gz KSDFZNSOLKACDH-FQEVSTJZSA-N 2 2 327.472 3.224 20 0 EGADLP C[C@@H](CC1CC1)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000344461623 141157981 /nfs/dbraw/zinc/15/79/81/141157981.db2.gz QYTVCJNKIJOXBT-IBGZPJMESA-N 2 2 329.532 3.363 20 0 EGADLP COc1cc2c(c(C[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)c1)O[C@@H](C)C2 ZINC000344523257 141168655 /nfs/dbraw/zinc/16/86/55/141168655.db2.gz XACFYBAJYLUOON-LSDHHAIUSA-N 2 2 341.455 3.191 20 0 EGADLP C[N@H+](CCCNc1cc(N2CCCCC2)nc[nH+]1)Cc1ccccc1 ZINC000346616627 141205223 /nfs/dbraw/zinc/20/52/23/141205223.db2.gz BGJNGULKAJPDCU-UHFFFAOYSA-N 2 2 339.487 3.401 20 0 EGADLP C[N@@H+](CCCNc1cc(N2CCCCC2)nc[nH+]1)Cc1ccccc1 ZINC000346616627 141205225 /nfs/dbraw/zinc/20/52/25/141205225.db2.gz BGJNGULKAJPDCU-UHFFFAOYSA-N 2 2 339.487 3.401 20 0 EGADLP C[N@H+](CCCNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccccc1 ZINC000346616627 141205227 /nfs/dbraw/zinc/20/52/27/141205227.db2.gz BGJNGULKAJPDCU-UHFFFAOYSA-N 2 2 339.487 3.401 20 0 EGADLP C[N@@H+](CCCNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccccc1 ZINC000346616627 141205230 /nfs/dbraw/zinc/20/52/30/141205230.db2.gz BGJNGULKAJPDCU-UHFFFAOYSA-N 2 2 339.487 3.401 20 0 EGADLP CSc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000352949372 141275861 /nfs/dbraw/zinc/27/58/61/141275861.db2.gz XCGGGLNDYZWOHX-ROUUACIJSA-N 2 2 347.572 3.399 20 0 EGADLP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1F ZINC000352973034 141280818 /nfs/dbraw/zinc/28/08/18/141280818.db2.gz KHBXMVFQESPRNJ-QZTJIDSGSA-N 2 2 333.495 3.125 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000677806812 549334455 /nfs/dbraw/zinc/33/44/55/549334455.db2.gz OXKGRWYWNWOJIF-SFTDATJTSA-N 2 2 338.495 3.233 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000677806812 549334459 /nfs/dbraw/zinc/33/44/59/549334459.db2.gz OXKGRWYWNWOJIF-SFTDATJTSA-N 2 2 338.495 3.233 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](CO)c2ccc(Br)cc2)c[nH+]1 ZINC000354563674 141306927 /nfs/dbraw/zinc/30/69/27/141306927.db2.gz HOKZLIFUTLUODV-KRWDZBQOSA-N 2 2 349.272 3.408 20 0 EGADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cscn2)CC1 ZINC000354679534 141320092 /nfs/dbraw/zinc/32/00/92/141320092.db2.gz WBEMIZDIJKZJNM-UHFFFAOYSA-N 2 2 328.416 3.153 20 0 EGADLP Cc1nc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)sc1C ZINC000356845932 141353207 /nfs/dbraw/zinc/35/32/07/141353207.db2.gz IRPZHJUMDUPNSK-UHFFFAOYSA-N 2 2 335.439 3.309 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000178414413 144070913 /nfs/dbraw/zinc/07/09/13/144070913.db2.gz JVJMDBSKTWMPJQ-ZDUSSCGKSA-N 2 2 326.868 3.494 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000178413453 144071027 /nfs/dbraw/zinc/07/10/27/144071027.db2.gz UXGLZTJTMUHSNG-AWEZNQCLSA-N 2 2 347.894 3.366 20 0 EGADLP C[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000184504429 144093748 /nfs/dbraw/zinc/09/37/48/144093748.db2.gz JSERZDPCCJMWMB-SBHAEUEKSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000184504429 144093749 /nfs/dbraw/zinc/09/37/49/144093749.db2.gz JSERZDPCCJMWMB-SBHAEUEKSA-N 3 2 344.547 3.146 20 0 EGADLP CCSc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000186163743 144126344 /nfs/dbraw/zinc/12/63/44/144126344.db2.gz KWUJHHFATDPHBV-UHFFFAOYSA-N 2 2 333.545 3.012 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1F ZINC000187834711 144164822 /nfs/dbraw/zinc/16/48/22/144164822.db2.gz DKNNSPNXZIPTCI-CYBMUJFWSA-N 2 2 325.391 3.269 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]12 ZINC000351495048 144269418 /nfs/dbraw/zinc/26/94/18/144269418.db2.gz OWGKUXWLRWGRBN-RYQLBKOJSA-N 2 2 327.497 3.097 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]12 ZINC000351495048 144269419 /nfs/dbraw/zinc/26/94/19/144269419.db2.gz OWGKUXWLRWGRBN-RYQLBKOJSA-N 2 2 327.497 3.097 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1F ZINC000351608534 144287407 /nfs/dbraw/zinc/28/74/07/144287407.db2.gz NRIMOXJYFYCWPA-MDKPJZGXSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1F ZINC000351608534 144287409 /nfs/dbraw/zinc/28/74/09/144287409.db2.gz NRIMOXJYFYCWPA-MDKPJZGXSA-N 2 2 342.458 3.359 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000363755895 144363356 /nfs/dbraw/zinc/36/33/56/144363356.db2.gz GLGGQFQPYAIURX-RDJZCZTQSA-N 2 2 340.471 3.384 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000363940069 144378327 /nfs/dbraw/zinc/37/83/27/144378327.db2.gz RUMWOMWZQJZHCD-FXAWDEMLSA-N 2 2 349.482 3.481 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000363940071 144378613 /nfs/dbraw/zinc/37/86/13/144378613.db2.gz RUMWOMWZQJZHCD-XLIONFOSSA-N 2 2 349.482 3.481 20 0 EGADLP Cc1ccc2nc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cn2c1 ZINC000341079344 155144342 /nfs/dbraw/zinc/14/43/42/155144342.db2.gz PELSCWHDHGAZOC-UHFFFAOYSA-N 2 2 331.423 3.177 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc3c[nH]nc3c2)n1-c1ccccc1 ZINC000341276886 155225106 /nfs/dbraw/zinc/22/51/06/155225106.db2.gz SBZMGVBLCUBAIU-UHFFFAOYSA-N 2 2 331.423 3.389 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402134 155270916 /nfs/dbraw/zinc/27/09/16/155270916.db2.gz JOEPYFQFHOUAAL-LJQANCHMSA-N 2 2 334.467 3.254 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402134 155270918 /nfs/dbraw/zinc/27/09/18/155270918.db2.gz JOEPYFQFHOUAAL-LJQANCHMSA-N 2 2 334.467 3.254 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341425019 155284375 /nfs/dbraw/zinc/28/43/75/155284375.db2.gz MYSGQDMDVSVCQS-KNQAVFIVSA-N 2 2 349.478 3.307 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341425019 155284376 /nfs/dbraw/zinc/28/43/76/155284376.db2.gz MYSGQDMDVSVCQS-KNQAVFIVSA-N 2 2 349.478 3.307 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](CO)CC2CCCC2)n1-c1ccccc1 ZINC000341450667 155299438 /nfs/dbraw/zinc/29/94/38/155299438.db2.gz FSONHGVQHRRYKB-GOSISDBHSA-N 2 2 327.472 3.459 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341492950 155322316 /nfs/dbraw/zinc/32/23/16/155322316.db2.gz FMNDDQVLLBROEX-IBGZPJMESA-N 3 2 344.547 3.290 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341492950 155322323 /nfs/dbraw/zinc/32/23/23/155322323.db2.gz FMNDDQVLLBROEX-IBGZPJMESA-N 3 2 344.547 3.290 20 0 EGADLP Cc1cc(NCC2([NH+]3CCSCC3)CCCCC2)nc(C2CC2)[nH+]1 ZINC000341496250 155324518 /nfs/dbraw/zinc/32/45/18/155324518.db2.gz ZXHXKEYOVKOEFP-UHFFFAOYSA-N 2 2 346.544 3.248 20 0 EGADLP Fc1ccc(OCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341523133 155333403 /nfs/dbraw/zinc/33/34/03/155333403.db2.gz WOGVJTKOTKSDQY-UHFFFAOYSA-N 2 2 343.446 3.244 20 0 EGADLP CC(C)(C)CC[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117762898 152116154 /nfs/dbraw/zinc/11/61/54/152116154.db2.gz YONJICGORHOVAY-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842298 152156681 /nfs/dbraw/zinc/15/66/81/152156681.db2.gz JFJJWNOWWHOLBA-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842298 152156686 /nfs/dbraw/zinc/15/66/86/152156686.db2.gz JFJJWNOWWHOLBA-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842298 152156693 /nfs/dbraw/zinc/15/66/93/152156693.db2.gz JFJJWNOWWHOLBA-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842298 152156699 /nfs/dbraw/zinc/15/66/99/152156699.db2.gz JFJJWNOWWHOLBA-HNNXBMFYSA-N 2 2 344.455 3.383 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123023146 152436815 /nfs/dbraw/zinc/43/68/15/152436815.db2.gz IOLHOJHHOKQXCI-QZTJIDSGSA-N 2 2 334.508 3.195 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000154746906 152597517 /nfs/dbraw/zinc/59/75/17/152597517.db2.gz QHRILXJMMBONJE-ZCNNSNEGSA-N 2 2 349.563 3.220 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000154746906 152597522 /nfs/dbraw/zinc/59/75/22/152597522.db2.gz QHRILXJMMBONJE-ZCNNSNEGSA-N 2 2 349.563 3.220 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000341609312 155381272 /nfs/dbraw/zinc/38/12/72/155381272.db2.gz SQDOJQKJABLODH-ZDUSSCGKSA-N 2 2 327.457 3.287 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000341609312 155381276 /nfs/dbraw/zinc/38/12/76/155381276.db2.gz SQDOJQKJABLODH-ZDUSSCGKSA-N 2 2 327.457 3.287 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000245929113 286382918 /nfs/dbraw/zinc/38/29/18/286382918.db2.gz SBLBLHZWSWLGID-AYOQOUSVSA-N 2 2 331.504 3.400 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C(F)(F)F)c1 ZINC000320527629 154165192 /nfs/dbraw/zinc/16/51/92/154165192.db2.gz BRZLMBNLWXAAOZ-LLVKDONJSA-N 2 2 326.366 3.356 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@H]([N@H+](C)CCC[NH+]3CCCC3)C2=O)c1 ZINC000337283794 154259351 /nfs/dbraw/zinc/25/93/51/154259351.db2.gz YKEWMMBFWLLXIL-SFHVURJKSA-N 2 2 347.478 3.047 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)CCC[NH+]3CCCC3)C2=O)c1 ZINC000337283794 154259354 /nfs/dbraw/zinc/25/93/54/154259354.db2.gz YKEWMMBFWLLXIL-SFHVURJKSA-N 2 2 347.478 3.047 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1OC ZINC000337381170 154323315 /nfs/dbraw/zinc/32/33/15/154323315.db2.gz JACDYGAKDPUZFB-JKSUJKDBSA-N 2 2 343.471 3.307 20 0 EGADLP COC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000341827096 155500024 /nfs/dbraw/zinc/50/00/24/155500024.db2.gz UTKRNXRDAFCUOK-INIZCTEOSA-N 2 2 330.394 3.468 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(-c2cnn(C)c2)c1 ZINC000349126543 156361370 /nfs/dbraw/zinc/36/13/70/156361370.db2.gz GJXCKNKJVDLEBZ-KRWDZBQOSA-N 2 2 335.455 3.119 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(-c2cnn(C)c2)c1 ZINC000349126543 156361375 /nfs/dbraw/zinc/36/13/75/156361375.db2.gz GJXCKNKJVDLEBZ-KRWDZBQOSA-N 2 2 335.455 3.119 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)C[C@@H]1C ZINC000344887503 296736101 /nfs/dbraw/zinc/73/61/01/296736101.db2.gz SGBFQTAUFLKLCU-OHEBNITISA-N 2 2 344.503 3.029 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601406 157236177 /nfs/dbraw/zinc/23/61/77/157236177.db2.gz GLZNIJFDOOLWKD-ICSRJNTNSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601406 157236183 /nfs/dbraw/zinc/23/61/83/157236183.db2.gz GLZNIJFDOOLWKD-ICSRJNTNSA-N 2 2 339.483 3.332 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093404547 162008812 /nfs/dbraw/zinc/00/88/12/162008812.db2.gz HRZDBRUWZWMMNQ-CQSZACIVSA-N 2 2 337.533 3.173 20 0 EGADLP Cc1[nH+]cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)n1-c1ccccc1 ZINC000093660059 162019382 /nfs/dbraw/zinc/01/93/82/162019382.db2.gz WLFKNMRIQNCNBV-GOSISDBHSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1[nH+]cc(CN(C)CC[C@H]2CCCC[N@H+]2C)n1-c1ccccc1 ZINC000093660059 162019384 /nfs/dbraw/zinc/01/93/84/162019384.db2.gz WLFKNMRIQNCNBV-GOSISDBHSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000112627855 162183210 /nfs/dbraw/zinc/18/32/10/162183210.db2.gz NVVFECRHYZJZEL-KRWDZBQOSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000112627855 162183216 /nfs/dbraw/zinc/18/32/16/162183216.db2.gz NVVFECRHYZJZEL-KRWDZBQOSA-N 2 2 340.471 3.031 20 0 EGADLP CSC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305104194 163073056 /nfs/dbraw/zinc/07/30/56/163073056.db2.gz CGTAVSHGHHGWCM-KRWDZBQOSA-N 2 2 342.936 3.008 20 0 EGADLP CCc1cc(NCCCCC[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000338755767 163340080 /nfs/dbraw/zinc/34/00/80/163340080.db2.gz JIEXPWGVTYNIRL-UHFFFAOYSA-N 2 2 339.487 3.201 20 0 EGADLP Cc1nc(N(C)CCC[N@H+](C)Cc2ccco2)c2c([nH+]1)CCCC2 ZINC000343807524 164039209 /nfs/dbraw/zinc/03/92/09/164039209.db2.gz LDGVISMLMPKEQU-UHFFFAOYSA-N 2 2 328.460 3.215 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816258 164041982 /nfs/dbraw/zinc/04/19/82/164041982.db2.gz MQQKUYXDAPELCR-UKRRQHHQSA-N 2 2 338.879 3.416 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816258 164041984 /nfs/dbraw/zinc/04/19/84/164041984.db2.gz MQQKUYXDAPELCR-UKRRQHHQSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816258 164041986 /nfs/dbraw/zinc/04/19/86/164041986.db2.gz MQQKUYXDAPELCR-UKRRQHHQSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816258 164041988 /nfs/dbraw/zinc/04/19/88/164041988.db2.gz MQQKUYXDAPELCR-UKRRQHHQSA-N 2 2 338.879 3.416 20 0 EGADLP Cc1ccoc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000343918500 164065759 /nfs/dbraw/zinc/06/57/59/164065759.db2.gz IJMPIMAMGBBQBO-IRXDYDNUSA-N 2 2 328.456 3.487 20 0 EGADLP CN(CCC[N@H+](C)Cc1csc(-c2ccccc2)n1)CC[NH+](C)C ZINC000344041587 164089571 /nfs/dbraw/zinc/08/95/71/164089571.db2.gz WOGDJICUIPAAMY-UHFFFAOYSA-N 2 2 346.544 3.125 20 0 EGADLP CN(CCC[N@@H+](C)Cc1csc(-c2ccccc2)n1)CC[NH+](C)C ZINC000344041587 164089574 /nfs/dbraw/zinc/08/95/74/164089574.db2.gz WOGDJICUIPAAMY-UHFFFAOYSA-N 2 2 346.544 3.125 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CC(F)F)c1 ZINC000345762180 164260903 /nfs/dbraw/zinc/26/09/03/164260903.db2.gz HVJZYGRFMXVHFP-AWEZNQCLSA-N 2 2 336.386 3.271 20 0 EGADLP C[C@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945925 166071046 /nfs/dbraw/zinc/07/10/46/166071046.db2.gz FENFMXUMGOCSCA-ROUUACIJSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H]1CN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945925 166071048 /nfs/dbraw/zinc/07/10/48/166071048.db2.gz FENFMXUMGOCSCA-ROUUACIJSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748987 165068129 /nfs/dbraw/zinc/06/81/29/165068129.db2.gz RWZUKYKZFOICTI-IEBWSBKVSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748987 165068131 /nfs/dbraw/zinc/06/81/31/165068131.db2.gz RWZUKYKZFOICTI-IEBWSBKVSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748987 165068134 /nfs/dbraw/zinc/06/81/34/165068134.db2.gz RWZUKYKZFOICTI-IEBWSBKVSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748987 165068136 /nfs/dbraw/zinc/06/81/36/165068136.db2.gz RWZUKYKZFOICTI-IEBWSBKVSA-N 2 2 343.515 3.092 20 0 EGADLP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351590430 165102038 /nfs/dbraw/zinc/10/20/38/165102038.db2.gz ULKKCVKHMJUOGA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000351590430 165102040 /nfs/dbraw/zinc/10/20/40/165102040.db2.gz ULKKCVKHMJUOGA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP C[NH+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351590430 165102042 /nfs/dbraw/zinc/10/20/42/165102042.db2.gz ULKKCVKHMJUOGA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP C[NH+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351590430 165102044 /nfs/dbraw/zinc/10/20/44/165102044.db2.gz ULKKCVKHMJUOGA-OAHLLOKOSA-N 2 2 332.879 3.299 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612832 165102529 /nfs/dbraw/zinc/10/25/29/165102529.db2.gz YKMBULZTAXNJAH-YOEHRIQHSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612832 165102533 /nfs/dbraw/zinc/10/25/33/165102533.db2.gz YKMBULZTAXNJAH-YOEHRIQHSA-N 2 2 328.859 3.221 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000352375963 165369957 /nfs/dbraw/zinc/36/99/57/165369957.db2.gz IELASWNWFRADRJ-MRXNPFEDSA-N 2 2 342.487 3.234 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194121727 287157925 /nfs/dbraw/zinc/15/79/25/287157925.db2.gz VBSMDHZVAZUIFB-YGWPLHOASA-N 2 2 341.499 3.154 20 0 EGADLP CC[NH2+][C@H](C)CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000358913035 167003910 /nfs/dbraw/zinc/00/39/10/167003910.db2.gz GIDCUPYMMJHPQL-GFCCVEGCSA-N 2 2 333.819 3.255 20 0 EGADLP CC[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+](CC)CC ZINC000359253730 167107702 /nfs/dbraw/zinc/10/77/02/167107702.db2.gz ACQNYESOAGHXNX-HNNXBMFYSA-N 2 2 338.521 3.188 20 0 EGADLP CCN(CC)c1ncc(C[N@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359459283 167162682 /nfs/dbraw/zinc/16/26/82/167162682.db2.gz NSUZWENTRFBLAR-UHFFFAOYSA-N 2 2 332.517 3.340 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+](CCC[NH3+])Cc2ccccc2)s1 ZINC000359459283 167162685 /nfs/dbraw/zinc/16/26/85/167162685.db2.gz NSUZWENTRFBLAR-UHFFFAOYSA-N 2 2 332.517 3.340 20 0 EGADLP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360433752 167327462 /nfs/dbraw/zinc/32/74/62/167327462.db2.gz NYIIANJZPATYBA-HXUWFJFHSA-N 2 2 337.467 3.332 20 0 EGADLP CC(C)N(C)c1ccc(CNc2cc[nH+]cc2Br)c[nH+]1 ZINC000362800185 167840063 /nfs/dbraw/zinc/84/00/63/167840063.db2.gz BVBVJMDBJHXRSC-UHFFFAOYSA-N 2 2 335.249 3.118 20 0 EGADLP Cc1cccn2c(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cnc12 ZINC000365828600 168049309 /nfs/dbraw/zinc/04/93/09/168049309.db2.gz GFSZJDOYXOXFCC-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000366921946 168157501 /nfs/dbraw/zinc/15/75/01/168157501.db2.gz LGSUDXWQPVITBW-CQSZACIVSA-N 2 2 339.361 3.351 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cnn(Cc2ccccc2)c1 ZINC000367440060 168226251 /nfs/dbraw/zinc/22/62/51/168226251.db2.gz ZHIYYDZVCRGDOQ-INIZCTEOSA-N 2 2 335.455 3.315 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367439328 168226281 /nfs/dbraw/zinc/22/62/81/168226281.db2.gz SZIYAPNXQFQJSH-HNNXBMFYSA-N 2 2 329.444 3.095 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851065 168277559 /nfs/dbraw/zinc/27/75/59/168277559.db2.gz UDOGLLJJYIBIGX-SFHVURJKSA-N 2 2 333.382 3.147 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851065 168277561 /nfs/dbraw/zinc/27/75/61/168277561.db2.gz UDOGLLJJYIBIGX-SFHVURJKSA-N 2 2 333.382 3.147 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851065 168277563 /nfs/dbraw/zinc/27/75/63/168277563.db2.gz UDOGLLJJYIBIGX-SFHVURJKSA-N 2 2 333.382 3.147 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C2)C1 ZINC000367851065 168277565 /nfs/dbraw/zinc/27/75/65/168277565.db2.gz UDOGLLJJYIBIGX-SFHVURJKSA-N 2 2 333.382 3.147 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000165827531 226137145 /nfs/dbraw/zinc/13/71/45/226137145.db2.gz PQCNYQCNDBZQAX-CVEARBPZSA-N 2 2 338.455 3.342 20 0 EGADLP c1coc([C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N2CCCC2)c1 ZINC000123919666 222351967 /nfs/dbraw/zinc/35/19/67/222351967.db2.gz LBTKFYZIYXDTCV-SFHVURJKSA-N 2 2 340.471 3.070 20 0 EGADLP CC(C)c1nc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000176973837 265222018 /nfs/dbraw/zinc/22/20/18/265222018.db2.gz NTXQPEURPKFIOS-CALCHBBNSA-N 2 2 346.519 3.316 20 0 EGADLP CC(C)c1nc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000176973837 265222020 /nfs/dbraw/zinc/22/20/20/265222020.db2.gz NTXQPEURPKFIOS-CALCHBBNSA-N 2 2 346.519 3.316 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000177267810 265243587 /nfs/dbraw/zinc/24/35/87/265243587.db2.gz HYLDAKPRQZCEBG-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000178329845 265309498 /nfs/dbraw/zinc/30/94/98/265309498.db2.gz ZJIWALVPEYJFRN-LSDHHAIUSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000178329845 265309501 /nfs/dbraw/zinc/30/95/01/265309501.db2.gz ZJIWALVPEYJFRN-LSDHHAIUSA-N 2 2 342.430 3.295 20 0 EGADLP COc1ncccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000193552491 266042226 /nfs/dbraw/zinc/04/22/26/266042226.db2.gz IHRRMTSZQNREIH-IRXDYDNUSA-N 2 2 339.483 3.336 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000193970540 266079283 /nfs/dbraw/zinc/07/92/83/266079283.db2.gz GYCIBCAWGXBWGL-NSHDSACASA-N 2 2 335.311 3.130 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000193970540 266079286 /nfs/dbraw/zinc/07/92/86/266079286.db2.gz GYCIBCAWGXBWGL-NSHDSACASA-N 2 2 335.311 3.130 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)[N@H+](C)C1CC1 ZINC000223234563 266196460 /nfs/dbraw/zinc/19/64/60/266196460.db2.gz XWDFRSOPEGMZBB-WBMJQRKESA-N 2 2 337.305 3.379 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCc2cc(Br)ccc2C1)[N@@H+](C)C1CC1 ZINC000223234563 266196462 /nfs/dbraw/zinc/19/64/62/266196462.db2.gz XWDFRSOPEGMZBB-WBMJQRKESA-N 2 2 337.305 3.379 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246349706 266259970 /nfs/dbraw/zinc/25/99/70/266259970.db2.gz JDGRVHPHZXVURK-ULQDDVLXSA-N 2 2 331.504 3.411 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246349706 266259974 /nfs/dbraw/zinc/25/99/74/266259974.db2.gz JDGRVHPHZXVURK-ULQDDVLXSA-N 2 2 331.504 3.411 20 0 EGADLP C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271568985 266687624 /nfs/dbraw/zinc/68/76/24/266687624.db2.gz VICQYSUOXBCVNP-BEFAXECRSA-N 2 2 339.414 3.266 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccncc3)[nH+]c12 ZINC000273498654 267048649 /nfs/dbraw/zinc/04/86/49/267048649.db2.gz OVSHWCULXVYUEG-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000273640114 267073383 /nfs/dbraw/zinc/07/33/83/267073383.db2.gz UNIDPRRBKISWHP-UHFFFAOYSA-N 2 2 347.466 3.112 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000274281512 267211107 /nfs/dbraw/zinc/21/11/07/267211107.db2.gz YMCCKVJCJRLLCJ-CHWSQXEVSA-N 2 2 334.489 3.199 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000274432048 267236496 /nfs/dbraw/zinc/23/64/96/267236496.db2.gz KAWRWSQOEVKBPC-NZSAHSFTSA-N 2 2 328.456 3.346 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000274432048 267236500 /nfs/dbraw/zinc/23/65/00/267236500.db2.gz KAWRWSQOEVKBPC-NZSAHSFTSA-N 2 2 328.456 3.346 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Cl)cn1 ZINC000274745072 267279667 /nfs/dbraw/zinc/27/96/67/267279667.db2.gz ARUHFQZHEFXJPE-DOPJRALCSA-N 2 2 337.895 3.154 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cn1 ZINC000274747350 267280671 /nfs/dbraw/zinc/28/06/71/267280671.db2.gz GUNPEKVHWZLTJB-BBRMVZONSA-N 2 2 345.878 3.443 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950310 267310785 /nfs/dbraw/zinc/31/07/85/267310785.db2.gz UZVBCWPXAFYZSD-AZUAARDMSA-N 3 2 348.494 3.377 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274950310 267310787 /nfs/dbraw/zinc/31/07/87/267310787.db2.gz UZVBCWPXAFYZSD-AZUAARDMSA-N 3 2 348.494 3.377 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974817 267314060 /nfs/dbraw/zinc/31/40/60/267314060.db2.gz YLMHNZOONYRMJL-AZUAARDMSA-N 3 2 338.499 3.384 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974817 267314061 /nfs/dbraw/zinc/31/40/61/267314061.db2.gz YLMHNZOONYRMJL-AZUAARDMSA-N 3 2 338.499 3.384 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000275279579 267340456 /nfs/dbraw/zinc/34/04/56/267340456.db2.gz DMPNIKAIXOTKDK-MAUKXSAKSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000275279579 267340457 /nfs/dbraw/zinc/34/04/57/267340457.db2.gz DMPNIKAIXOTKDK-MAUKXSAKSA-N 2 2 338.467 3.061 20 0 EGADLP FC(F)(F)c1cccc(C2([NH2+]CCn3cc[nH+]c3)CCOCC2)c1 ZINC000278388834 268002248 /nfs/dbraw/zinc/00/22/48/268002248.db2.gz VBFDKHQDCBUUKK-UHFFFAOYSA-N 2 2 339.361 3.197 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn(CC(C)C)c2)CC1 ZINC000278823586 275278237 /nfs/dbraw/zinc/27/82/37/275278237.db2.gz ZSUREBQEORIIAW-UHFFFAOYSA-N 2 2 328.460 3.286 20 0 EGADLP CC(C)Cc1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278978940 275292938 /nfs/dbraw/zinc/29/29/38/275292938.db2.gz YVRIKXUQKUAHGM-UHFFFAOYSA-N 2 2 343.475 3.181 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)no1 ZINC000279536179 275338170 /nfs/dbraw/zinc/33/81/70/275338170.db2.gz HUZCLVWLEAYLLB-HZPDHXFCSA-N 2 2 329.444 3.055 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)no1 ZINC000279536179 275338172 /nfs/dbraw/zinc/33/81/72/275338172.db2.gz HUZCLVWLEAYLLB-HZPDHXFCSA-N 2 2 329.444 3.055 20 0 EGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000279714486 275352373 /nfs/dbraw/zinc/35/23/73/275352373.db2.gz LILLRGXTDFFRGK-DYESRHJHSA-N 2 2 339.483 3.412 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)c[nH+]1 ZINC000282417106 275632165 /nfs/dbraw/zinc/63/21/65/275632165.db2.gz YLMAEUWXFGVNDD-LJQANCHMSA-N 2 2 325.456 3.370 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000283152819 275701303 /nfs/dbraw/zinc/70/13/03/275701303.db2.gz IAVPNUUBYVTIBN-ZTFGCOKTSA-N 2 2 327.428 3.043 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C(C)(C)n1cncn1)c1ccccc1 ZINC000284317271 275791297 /nfs/dbraw/zinc/79/12/97/275791297.db2.gz ZQNYDIYRZKZQDO-CVEARBPZSA-N 2 2 329.492 3.121 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288698 276023435 /nfs/dbraw/zinc/02/34/35/276023435.db2.gz MRMMVJJYFLGVRE-YEWDVWPNSA-N 2 2 329.444 3.445 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288698 276023437 /nfs/dbraw/zinc/02/34/37/276023437.db2.gz MRMMVJJYFLGVRE-YEWDVWPNSA-N 2 2 329.444 3.445 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000353426292 276035351 /nfs/dbraw/zinc/03/53/51/276035351.db2.gz IZDUDVUSYDFNCM-DNVCBOLYSA-N 2 2 340.471 3.335 20 0 EGADLP COc1ccncc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000286804191 276044941 /nfs/dbraw/zinc/04/49/41/276044941.db2.gz JECMEGUYQITVNL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccncc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000286804191 276044943 /nfs/dbraw/zinc/04/49/43/276044943.db2.gz JECMEGUYQITVNL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccncc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000286804191 276044944 /nfs/dbraw/zinc/04/49/44/276044944.db2.gz JECMEGUYQITVNL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccncc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286804191 276044945 /nfs/dbraw/zinc/04/49/45/276044945.db2.gz JECMEGUYQITVNL-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000343544899 276057170 /nfs/dbraw/zinc/05/71/70/276057170.db2.gz YDYLIUMCHOZRMK-PXNSSMCTSA-N 2 2 343.515 3.109 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000343544899 276057174 /nfs/dbraw/zinc/05/71/74/276057174.db2.gz YDYLIUMCHOZRMK-PXNSSMCTSA-N 2 2 343.515 3.109 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H](C)C1 ZINC000287520006 276128145 /nfs/dbraw/zinc/12/81/45/276128145.db2.gz OMJBMOZUZCQBSZ-FXAWDEMLSA-N 2 2 339.483 3.481 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@@H](C)C1 ZINC000287520006 276128146 /nfs/dbraw/zinc/12/81/46/276128146.db2.gz OMJBMOZUZCQBSZ-FXAWDEMLSA-N 2 2 339.483 3.481 20 0 EGADLP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000287620876 276140615 /nfs/dbraw/zinc/14/06/15/276140615.db2.gz JUSMINFHKJYHQF-DZGCQCFKSA-N 2 2 325.334 3.072 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000287645213 276143571 /nfs/dbraw/zinc/14/35/71/276143571.db2.gz VZIHXUDRFFJFCL-UHFFFAOYSA-N 2 2 344.434 3.433 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287704966 276149007 /nfs/dbraw/zinc/14/90/07/276149007.db2.gz ZVFXXGDNXLWKAO-ZBFHGGJFSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000287704966 276149008 /nfs/dbraw/zinc/14/90/08/276149008.db2.gz ZVFXXGDNXLWKAO-ZBFHGGJFSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287764486 276155007 /nfs/dbraw/zinc/15/50/07/276155007.db2.gz RDLYYPZCFLACSZ-DOMZBBRYSA-N 2 2 327.350 3.044 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)CCc3[nH]cc[nH+]3)c2)CC1 ZINC000288355007 276205285 /nfs/dbraw/zinc/20/52/85/276205285.db2.gz GWMQZAQYUZTJLK-UHFFFAOYSA-N 2 2 340.471 3.255 20 0 EGADLP c1cc2c(o1)CCC[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000288721232 276245357 /nfs/dbraw/zinc/24/53/57/276245357.db2.gz FVKQDIMKHLSZQW-HXUWFJFHSA-N 2 2 340.467 3.319 20 0 EGADLP c1cc2c(o1)CCC[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000288721232 276245358 /nfs/dbraw/zinc/24/53/58/276245358.db2.gz FVKQDIMKHLSZQW-HXUWFJFHSA-N 2 2 340.467 3.319 20 0 EGADLP c1cc2c(o1)CCC[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000288721232 276245359 /nfs/dbraw/zinc/24/53/59/276245359.db2.gz FVKQDIMKHLSZQW-HXUWFJFHSA-N 2 2 340.467 3.319 20 0 EGADLP c1cc2c(o1)CCC[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000288721232 276245360 /nfs/dbraw/zinc/24/53/60/276245360.db2.gz FVKQDIMKHLSZQW-HXUWFJFHSA-N 2 2 340.467 3.319 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289226395 276307385 /nfs/dbraw/zinc/30/73/85/276307385.db2.gz CSTNVCBZZOHBEJ-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289226395 276307386 /nfs/dbraw/zinc/30/73/86/276307386.db2.gz CSTNVCBZZOHBEJ-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289226395 276307387 /nfs/dbraw/zinc/30/73/87/276307387.db2.gz CSTNVCBZZOHBEJ-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289226395 276307388 /nfs/dbraw/zinc/30/73/88/276307388.db2.gz CSTNVCBZZOHBEJ-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP COCCOCc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289287858 276316415 /nfs/dbraw/zinc/31/64/15/276316415.db2.gz PIGUPIHPKWWQOZ-YLJYHZDGSA-N 2 2 343.471 3.129 20 0 EGADLP COCCOCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289287858 276316418 /nfs/dbraw/zinc/31/64/18/276316418.db2.gz PIGUPIHPKWWQOZ-YLJYHZDGSA-N 2 2 343.471 3.129 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2c(F)cccc2F)CC1 ZINC000289358996 276327332 /nfs/dbraw/zinc/32/73/32/276327332.db2.gz INIVTPCEKSSGAZ-KRWDZBQOSA-N 2 2 348.393 3.245 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387870 276331472 /nfs/dbraw/zinc/33/14/72/276331472.db2.gz QNXVYLDRTDQTAE-XLIONFOSSA-N 2 2 327.472 3.150 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387870 276331474 /nfs/dbraw/zinc/33/14/74/276331474.db2.gz QNXVYLDRTDQTAE-XLIONFOSSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387870 276331476 /nfs/dbraw/zinc/33/14/76/276331476.db2.gz QNXVYLDRTDQTAE-XLIONFOSSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387870 276331477 /nfs/dbraw/zinc/33/14/77/276331477.db2.gz QNXVYLDRTDQTAE-XLIONFOSSA-N 2 2 327.472 3.150 20 0 EGADLP CC[N@H+](Cc1c(C)nn(C)c1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000289460499 276342491 /nfs/dbraw/zinc/34/24/91/276342491.db2.gz OKDXBETZXXSUDK-UHFFFAOYSA-N 2 2 334.895 3.466 20 0 EGADLP CC[N@@H+](Cc1c(C)nn(C)c1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000289460499 276342492 /nfs/dbraw/zinc/34/24/92/276342492.db2.gz OKDXBETZXXSUDK-UHFFFAOYSA-N 2 2 334.895 3.466 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc2[nH+]ccn21 ZINC000289539831 276354889 /nfs/dbraw/zinc/35/48/89/276354889.db2.gz WSXNFYPFAZORCC-IBGZPJMESA-N 2 2 349.482 3.216 20 0 EGADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc2[nH+]ccn21 ZINC000289539831 276354891 /nfs/dbraw/zinc/35/48/91/276354891.db2.gz WSXNFYPFAZORCC-IBGZPJMESA-N 2 2 349.482 3.216 20 0 EGADLP COCCOCc1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000289618693 276367189 /nfs/dbraw/zinc/36/71/89/276367189.db2.gz FLZFGPOOYFKLPX-UHFFFAOYSA-N 2 2 342.483 3.071 20 0 EGADLP COCCOCc1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000289618693 276367190 /nfs/dbraw/zinc/36/71/90/276367190.db2.gz FLZFGPOOYFKLPX-UHFFFAOYSA-N 2 2 342.483 3.071 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc21 ZINC000289655959 276373390 /nfs/dbraw/zinc/37/33/90/276373390.db2.gz ILOLCRRDPGXOHS-ZACQAIPSSA-N 2 2 327.472 3.385 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000290415435 276492517 /nfs/dbraw/zinc/49/25/17/276492517.db2.gz QNBHHIMPQRDZRZ-KRWDZBQOSA-N 2 2 349.272 3.408 20 0 EGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCC2 ZINC000291361838 276632821 /nfs/dbraw/zinc/63/28/21/276632821.db2.gz YBANZGLJRGIFJX-NRFANRHFSA-N 2 2 337.467 3.419 20 0 EGADLP COc1ccncc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311095624 278068171 /nfs/dbraw/zinc/06/81/71/278068171.db2.gz ZTHHXUVAJYAZOL-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311095624 278068173 /nfs/dbraw/zinc/06/81/73/278068173.db2.gz ZTHHXUVAJYAZOL-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311095624 278068174 /nfs/dbraw/zinc/06/81/74/278068174.db2.gz ZTHHXUVAJYAZOL-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311095624 278068176 /nfs/dbraw/zinc/06/81/76/278068176.db2.gz ZTHHXUVAJYAZOL-UYAOXDASSA-N 2 2 337.467 3.044 20 0 EGADLP CC(=O)NC1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000374241868 278088527 /nfs/dbraw/zinc/08/85/27/278088527.db2.gz QLXCONNETBEYMW-UHFFFAOYSA-N 2 2 335.536 3.070 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357666650 278389789 /nfs/dbraw/zinc/38/97/89/278389789.db2.gz ZLTBAPPFSLMNCZ-BEFAXECRSA-N 2 2 325.460 3.180 20 0 EGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000354125348 279026987 /nfs/dbraw/zinc/02/69/87/279026987.db2.gz QXUTUAWFIHTONR-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000354125348 279026989 /nfs/dbraw/zinc/02/69/89/279026989.db2.gz QXUTUAWFIHTONR-FHWLQOOXSA-N 2 2 337.552 3.124 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517977 288102328 /nfs/dbraw/zinc/10/23/28/288102328.db2.gz FKCXTDCYWDASPV-WICCELJUSA-N 3 2 347.469 3.110 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517977 288102329 /nfs/dbraw/zinc/10/23/29/288102329.db2.gz FKCXTDCYWDASPV-WICCELJUSA-N 3 2 347.469 3.110 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377765837 288154770 /nfs/dbraw/zinc/15/47/70/288154770.db2.gz YBFAUGYMBJNYCM-VQIMIIECSA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377765837 288154774 /nfs/dbraw/zinc/15/47/74/288154774.db2.gz YBFAUGYMBJNYCM-VQIMIIECSA-N 2 2 337.458 3.128 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106531858 290385942 /nfs/dbraw/zinc/38/59/42/290385942.db2.gz ZUPIKQXBTLNXGE-DLBZAZTESA-N 2 2 347.507 3.301 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106531858 290385948 /nfs/dbraw/zinc/38/59/48/290385948.db2.gz ZUPIKQXBTLNXGE-DLBZAZTESA-N 2 2 347.507 3.301 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000414088082 309060422 /nfs/dbraw/zinc/06/04/22/309060422.db2.gz BPKMWXCDTFLZHG-UWVAXJGDSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000414088082 309060423 /nfs/dbraw/zinc/06/04/23/309060423.db2.gz BPKMWXCDTFLZHG-UWVAXJGDSA-N 2 2 338.499 3.391 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414170066 309064357 /nfs/dbraw/zinc/06/43/57/309064357.db2.gz VVYZTEGQOVUBTF-SQGPQFPESA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414170066 309064358 /nfs/dbraw/zinc/06/43/58/309064358.db2.gz VVYZTEGQOVUBTF-SQGPQFPESA-N 2 2 339.483 3.274 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000153344498 307771238 /nfs/dbraw/zinc/77/12/38/307771238.db2.gz NJUQQMFIIHWZOR-KBPBESRZSA-N 2 2 346.393 3.204 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccnc1 ZINC000414326270 309073091 /nfs/dbraw/zinc/07/30/91/309073091.db2.gz DVXMBGVGJQLUCQ-UHFFFAOYSA-N 2 2 329.410 3.366 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000414363352 309075421 /nfs/dbraw/zinc/07/54/21/309075421.db2.gz XTMOFZRAYSCFFU-CQSZACIVSA-N 2 2 330.394 3.214 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000248634870 308007927 /nfs/dbraw/zinc/00/79/27/308007927.db2.gz JYMNZCXADSFKDO-DBXWQHBBSA-N 2 2 345.531 3.449 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415565 309078860 /nfs/dbraw/zinc/07/88/60/309078860.db2.gz UVQQKMAQMDJOHC-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415565 309078861 /nfs/dbraw/zinc/07/88/61/309078861.db2.gz UVQQKMAQMDJOHC-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415565 309078862 /nfs/dbraw/zinc/07/88/62/309078862.db2.gz UVQQKMAQMDJOHC-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414415565 309078863 /nfs/dbraw/zinc/07/88/63/309078863.db2.gz UVQQKMAQMDJOHC-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(O)c1Cl ZINC000292968373 308085219 /nfs/dbraw/zinc/08/52/19/308085219.db2.gz MCPOVNCOXNALMU-UHFFFAOYSA-N 2 2 349.862 3.061 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292997971 308088443 /nfs/dbraw/zinc/08/84/43/308088443.db2.gz OPCXNDYAGYLGFK-HNAYVOBHSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292997971 308088445 /nfs/dbraw/zinc/08/84/45/308088445.db2.gz OPCXNDYAGYLGFK-HNAYVOBHSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292997971 308088447 /nfs/dbraw/zinc/08/84/47/308088447.db2.gz OPCXNDYAGYLGFK-HNAYVOBHSA-N 2 2 326.444 3.215 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000414410557 309078353 /nfs/dbraw/zinc/07/83/53/309078353.db2.gz OGGLCXWQXMOVKM-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000414410557 309078354 /nfs/dbraw/zinc/07/83/54/309078354.db2.gz OGGLCXWQXMOVKM-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000414410557 309078355 /nfs/dbraw/zinc/07/83/55/309078355.db2.gz OGGLCXWQXMOVKM-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000414410557 309078356 /nfs/dbraw/zinc/07/83/56/309078356.db2.gz OGGLCXWQXMOVKM-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP CC[NH+](CC)[C@H](c1nc(C[NH2+]C)no1)c1cccc(C(F)(F)F)c1 ZINC000414499489 309084710 /nfs/dbraw/zinc/08/47/10/309084710.db2.gz KACGMZHZKMNTBH-AWEZNQCLSA-N 2 2 342.365 3.239 20 0 EGADLP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000293299495 308118176 /nfs/dbraw/zinc/11/81/76/308118176.db2.gz HSBPYNZRQAUECD-GOSISDBHSA-N 2 2 327.476 3.278 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293632786 308148106 /nfs/dbraw/zinc/14/81/06/308148106.db2.gz HQUJYMMNKHUDBS-HLLBOEOZSA-N 2 2 347.532 3.303 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293632786 308148108 /nfs/dbraw/zinc/14/81/08/308148108.db2.gz HQUJYMMNKHUDBS-HLLBOEOZSA-N 2 2 347.532 3.303 20 0 EGADLP Cc1sccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000293658486 308150443 /nfs/dbraw/zinc/15/04/43/308150443.db2.gz TUIHUAPLZDDLTD-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670230 308151175 /nfs/dbraw/zinc/15/11/75/308151175.db2.gz JRXZUESHZBQLPX-CRAIPNDOSA-N 2 2 345.466 3.135 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670230 308151177 /nfs/dbraw/zinc/15/11/77/308151177.db2.gz JRXZUESHZBQLPX-CRAIPNDOSA-N 2 2 345.466 3.135 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(OC(F)F)c1 ZINC000293736095 308157326 /nfs/dbraw/zinc/15/73/26/308157326.db2.gz VIUCROGCMSQYLZ-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(OC(F)F)c1 ZINC000293736095 308157327 /nfs/dbraw/zinc/15/73/27/308157327.db2.gz VIUCROGCMSQYLZ-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(OC(F)F)c1 ZINC000293736095 308157328 /nfs/dbraw/zinc/15/73/28/308157328.db2.gz VIUCROGCMSQYLZ-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(OC(F)F)c1 ZINC000293736095 308157329 /nfs/dbraw/zinc/15/73/29/308157329.db2.gz VIUCROGCMSQYLZ-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)n1-c1ccccc1 ZINC000414517874 309085925 /nfs/dbraw/zinc/08/59/25/309085925.db2.gz ACWNQYSVLRTIEJ-KRWDZBQOSA-N 2 2 339.414 3.186 20 0 EGADLP CC(C)OCC(C)(C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414556310 309088749 /nfs/dbraw/zinc/08/87/49/309088749.db2.gz VLWVBKIZWCNGIJ-UHFFFAOYSA-N 2 2 325.522 3.203 20 0 EGADLP CC(C)OCC(C)(C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414556310 309088750 /nfs/dbraw/zinc/08/87/50/309088750.db2.gz VLWVBKIZWCNGIJ-UHFFFAOYSA-N 2 2 325.522 3.203 20 0 EGADLP CC[N@H+](Cc1cccc(O)c1Br)[C@@H]1CCC[NH2+]CC1 ZINC000414709969 309096686 /nfs/dbraw/zinc/09/66/86/309096686.db2.gz FTLIEJACIGFCFW-CYBMUJFWSA-N 2 2 327.266 3.119 20 0 EGADLP CC[N@@H+](Cc1cccc(O)c1Br)[C@@H]1CCC[NH2+]CC1 ZINC000414709969 309096687 /nfs/dbraw/zinc/09/66/87/309096687.db2.gz FTLIEJACIGFCFW-CYBMUJFWSA-N 2 2 327.266 3.119 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000414665102 309094567 /nfs/dbraw/zinc/09/45/67/309094567.db2.gz DOEHTYKGHWQZBJ-UHFFFAOYSA-N 2 2 339.487 3.244 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H](C[NH3+])C1 ZINC000414771858 309099874 /nfs/dbraw/zinc/09/98/74/309099874.db2.gz SCNYFGUSFJAXIV-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H](C[NH3+])C1 ZINC000414771858 309099875 /nfs/dbraw/zinc/09/98/75/309099875.db2.gz SCNYFGUSFJAXIV-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP CCOc1cc(C[N@H+](C)C2(C[NH3+])CCC2)ccc1OCC(F)(F)F ZINC000414773528 309100204 /nfs/dbraw/zinc/10/02/04/309100204.db2.gz AFSZNCSEYPNCSU-UHFFFAOYSA-N 2 2 346.393 3.340 20 0 EGADLP CCOc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)ccc1OCC(F)(F)F ZINC000414773528 309100205 /nfs/dbraw/zinc/10/02/05/309100205.db2.gz AFSZNCSEYPNCSU-UHFFFAOYSA-N 2 2 346.393 3.340 20 0 EGADLP COCc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)no1 ZINC000298295473 308601283 /nfs/dbraw/zinc/60/12/83/308601283.db2.gz HIOJXRPQGAJRQU-UHFFFAOYSA-N 2 2 343.471 3.487 20 0 EGADLP COc1cc2[nH+]ccc(NCc3ccc(N(C)C)[nH+]c3)c2cc1OC ZINC000298394700 308610190 /nfs/dbraw/zinc/61/01/90/308610190.db2.gz VMDBJDAWNCJOPC-UHFFFAOYSA-N 2 2 338.411 3.325 20 0 EGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1I ZINC000423257704 309392584 /nfs/dbraw/zinc/39/25/84/309392584.db2.gz ACSUJIMJXRSQDW-VXGBXAGGSA-N 2 2 346.256 3.315 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCCCC1 ZINC000414839794 309104759 /nfs/dbraw/zinc/10/47/59/309104759.db2.gz JNHZSYOLZMXODU-UHFFFAOYSA-N 2 2 325.456 3.412 20 0 EGADLP Nc1nc(NC2CC[NH+](C3CCCCC3)CC2)[nH+]c2ccccc12 ZINC000301872067 308719370 /nfs/dbraw/zinc/71/93/70/308719370.db2.gz FTMKREDOAAMJHW-UHFFFAOYSA-N 2 2 325.460 3.421 20 0 EGADLP CC(C)c1nc(NC[C@H](O)C[NH+]2CCCCC2)cc(C(C)(C)C)[nH+]1 ZINC000302785027 308745432 /nfs/dbraw/zinc/74/54/32/308745432.db2.gz MJFLNJKXKPJSHX-HNNXBMFYSA-N 2 2 334.508 3.156 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCCCCC1 ZINC000310019772 308763246 /nfs/dbraw/zinc/76/32/46/308763246.db2.gz QQXBBRBRGWZYPQ-MRXNPFEDSA-N 2 2 327.513 3.145 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414844911 309105201 /nfs/dbraw/zinc/10/52/01/309105201.db2.gz DFVNAMUMKVXSBK-JKSUJKDBSA-N 3 2 335.923 3.282 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000414861080 309106130 /nfs/dbraw/zinc/10/61/30/309106130.db2.gz DWNZWOYLTLEGTI-QGZVFWFLSA-N 2 2 326.440 3.212 20 0 EGADLP COCC[NH2+]CC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000414892977 309107680 /nfs/dbraw/zinc/10/76/80/309107680.db2.gz XQFCSTSERWDPHZ-UHFFFAOYSA-N 2 2 344.299 3.050 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414938199 309110115 /nfs/dbraw/zinc/11/01/15/309110115.db2.gz DYPYNMAWTYIFGI-LPHOPBHVSA-N 2 2 338.499 3.455 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c[nH+]1 ZINC000415005059 309113775 /nfs/dbraw/zinc/11/37/75/309113775.db2.gz OQXFEDSDGHQRSY-TZIWHRDSSA-N 3 2 341.474 3.445 20 0 EGADLP CCc1cnc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000415002935 309113802 /nfs/dbraw/zinc/11/38/02/309113802.db2.gz MQXBLVMJWZPTOB-WMLDXEAASA-N 2 2 333.476 3.328 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415046779 309116315 /nfs/dbraw/zinc/11/63/15/309116315.db2.gz VNHYYXPQUUCIFM-CQSZACIVSA-N 2 2 338.377 3.121 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415055044 309116948 /nfs/dbraw/zinc/11/69/48/309116948.db2.gz QRNMFDRERGRSRL-WMLDXEAASA-N 2 2 328.485 3.169 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415055044 309116949 /nfs/dbraw/zinc/11/69/49/309116949.db2.gz QRNMFDRERGRSRL-WMLDXEAASA-N 2 2 328.485 3.169 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2CC)C[C@@H]1C ZINC000415063987 309117804 /nfs/dbraw/zinc/11/78/04/309117804.db2.gz JNGTYGVBMBYFLL-RMRDIRSESA-N 2 2 332.488 3.206 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415094411 309119847 /nfs/dbraw/zinc/11/98/47/309119847.db2.gz XENAUMONBDLLQU-YJBOKZPZSA-N 2 2 341.455 3.072 20 0 EGADLP Clc1cccc(Oc2ccccc2)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098311 309120158 /nfs/dbraw/zinc/12/01/58/309120158.db2.gz VPXMDRBKYAYOIL-HNNXBMFYSA-N 2 2 332.831 3.210 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000415124832 309122053 /nfs/dbraw/zinc/12/20/53/309122053.db2.gz CRCSOZKJGBSWFU-UHFFFAOYSA-N 2 2 337.208 3.092 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000415124832 309122054 /nfs/dbraw/zinc/12/20/54/309122054.db2.gz CRCSOZKJGBSWFU-UHFFFAOYSA-N 2 2 337.208 3.092 20 0 EGADLP [NH3+]C[C@H]1CCCCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415162338 309124213 /nfs/dbraw/zinc/12/42/13/309124213.db2.gz AIOLRJYMTATYBY-OAHLLOKOSA-N 2 2 326.400 3.219 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415180082 309125019 /nfs/dbraw/zinc/12/50/19/309125019.db2.gz FBVIZFINRVBKTH-HUUCEWRRSA-N 2 2 340.427 3.465 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@H](C)C[NH2+]1 ZINC000415186583 309125474 /nfs/dbraw/zinc/12/54/74/309125474.db2.gz NJKDOJFCHHPASV-ZIAGYGMSSA-N 2 2 326.400 3.088 20 0 EGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C12CCC[NH+]1CCC2 ZINC000415356630 309131723 /nfs/dbraw/zinc/13/17/23/309131723.db2.gz ONPWSWYJQRPFMZ-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000415439985 309133439 /nfs/dbraw/zinc/13/34/39/309133439.db2.gz DYXCLAFKEOVPRE-HRCADAONSA-N 2 2 345.491 3.018 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000416236153 309165055 /nfs/dbraw/zinc/16/50/55/309165055.db2.gz AFOCHUQBAUQARA-WMZOPIPTSA-N 2 2 340.471 3.023 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000417355142 309202699 /nfs/dbraw/zinc/20/26/99/309202699.db2.gz DCDPYBVSCDJBMW-MRXNPFEDSA-N 2 2 328.378 3.264 20 0 EGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417361095 309202984 /nfs/dbraw/zinc/20/29/84/309202984.db2.gz YLHBKTGVCMCJCI-NSHDSACASA-N 2 2 329.257 3.203 20 0 EGADLP C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000419379350 309266020 /nfs/dbraw/zinc/26/60/20/309266020.db2.gz WIHXSFKFCVRBIK-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP C[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000419379350 309266021 /nfs/dbraw/zinc/26/60/21/309266021.db2.gz WIHXSFKFCVRBIK-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP C[NH2+][C@@H]1CCC[N@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000420291808 309279681 /nfs/dbraw/zinc/27/96/81/309279681.db2.gz KYJXGTJYMVGHOM-GOSISDBHSA-N 2 2 332.488 3.066 20 0 EGADLP C[NH2+][C@@H]1CCC[N@@H+](CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000420291808 309279682 /nfs/dbraw/zinc/27/96/82/309279682.db2.gz KYJXGTJYMVGHOM-GOSISDBHSA-N 2 2 332.488 3.066 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420307347 309280628 /nfs/dbraw/zinc/28/06/28/309280628.db2.gz BOEWRMPXTMMTIX-YIONKMFJSA-N 2 2 342.439 3.324 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420307347 309280629 /nfs/dbraw/zinc/28/06/29/309280629.db2.gz BOEWRMPXTMMTIX-YIONKMFJSA-N 2 2 342.439 3.324 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000420310796 309281046 /nfs/dbraw/zinc/28/10/46/309281046.db2.gz GVOVRWNIAJHHQO-ZVDOUQERSA-N 2 2 349.478 3.216 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000420310796 309281047 /nfs/dbraw/zinc/28/10/47/309281047.db2.gz GVOVRWNIAJHHQO-ZVDOUQERSA-N 2 2 349.478 3.216 20 0 EGADLP O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313170 309281286 /nfs/dbraw/zinc/28/12/86/309281286.db2.gz PGNMZRLFDSDVTK-LLGFUMIMSA-N 2 2 345.446 3.243 20 0 EGADLP O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420313170 309281287 /nfs/dbraw/zinc/28/12/87/309281287.db2.gz PGNMZRLFDSDVTK-LLGFUMIMSA-N 2 2 345.446 3.243 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420355727 309283917 /nfs/dbraw/zinc/28/39/17/309283917.db2.gz FRFHASWTUWXUEN-IAQYHMDHSA-N 2 2 345.270 3.139 20 0 EGADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420355727 309283918 /nfs/dbraw/zinc/28/39/18/309283918.db2.gz FRFHASWTUWXUEN-IAQYHMDHSA-N 2 2 345.270 3.139 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420371475 309284815 /nfs/dbraw/zinc/28/48/15/309284815.db2.gz PNNTXHRCLABGNO-GUXCAODWSA-N 2 2 337.467 3.415 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000420409992 309286831 /nfs/dbraw/zinc/28/68/31/309286831.db2.gz XVDGCTQBRWOOBC-NEPJUHHUSA-N 2 2 333.423 3.434 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000420409992 309286832 /nfs/dbraw/zinc/28/68/32/309286832.db2.gz XVDGCTQBRWOOBC-NEPJUHHUSA-N 2 2 333.423 3.434 20 0 EGADLP Cc1csc(C(C)(C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000420931633 309302238 /nfs/dbraw/zinc/30/22/38/309302238.db2.gz GMIQGTMJLHRIEY-UHFFFAOYSA-N 2 2 345.512 3.309 20 0 EGADLP C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420938594 309302648 /nfs/dbraw/zinc/30/26/48/309302648.db2.gz MLZNIIAKNCYNQC-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420938594 309302649 /nfs/dbraw/zinc/30/26/49/309302649.db2.gz MLZNIIAKNCYNQC-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420944369 309303158 /nfs/dbraw/zinc/30/31/58/309303158.db2.gz YEFANMKVTXDTSX-FQEVSTJZSA-N 2 2 325.456 3.184 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420944369 309303159 /nfs/dbraw/zinc/30/31/59/309303159.db2.gz YEFANMKVTXDTSX-FQEVSTJZSA-N 2 2 325.456 3.184 20 0 EGADLP Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420947675 309303282 /nfs/dbraw/zinc/30/32/82/309303282.db2.gz OJWIIYVRQLVKGM-UHFFFAOYSA-N 2 2 345.512 3.309 20 0 EGADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957626 309304283 /nfs/dbraw/zinc/30/42/83/309304283.db2.gz DBCNRLCXVGIVCB-RHSMWYFYSA-N 2 2 342.405 3.292 20 0 EGADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420957626 309304284 /nfs/dbraw/zinc/30/42/84/309304284.db2.gz DBCNRLCXVGIVCB-RHSMWYFYSA-N 2 2 342.405 3.292 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000421369603 309321058 /nfs/dbraw/zinc/32/10/58/309321058.db2.gz IHAYBAPDVCDBBC-MAKTXDPSSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421369603 309321059 /nfs/dbraw/zinc/32/10/59/309321059.db2.gz IHAYBAPDVCDBBC-MAKTXDPSSA-N 3 2 329.532 3.359 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)c1 ZINC000421383289 309321955 /nfs/dbraw/zinc/32/19/55/309321955.db2.gz NVPNMMWAKKNRPQ-KRWDZBQOSA-N 2 2 331.529 3.169 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)CC(C)C)CC2)CC1 ZINC000422013389 309351006 /nfs/dbraw/zinc/35/10/06/309351006.db2.gz FIZNZTLGJIHQTJ-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)CC(C)C)CC2)CC1 ZINC000422013389 309351007 /nfs/dbraw/zinc/35/10/07/309351007.db2.gz FIZNZTLGJIHQTJ-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccoc3C(C)C)CC2)CC1 ZINC000422017041 309351172 /nfs/dbraw/zinc/35/11/72/309351172.db2.gz ITRFNCTUHFTZOB-UHFFFAOYSA-N 2 2 347.503 3.035 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccoc3C(C)C)CC2)CC1 ZINC000422017041 309351173 /nfs/dbraw/zinc/35/11/73/309351173.db2.gz ITRFNCTUHFTZOB-UHFFFAOYSA-N 2 2 347.503 3.035 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C)CCCCCC3)CC2)CC1 ZINC000422018832 309351312 /nfs/dbraw/zinc/35/13/12/309351312.db2.gz KYLVVUMOHMDWLU-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C)CCCCCC3)CC2)CC1 ZINC000422018832 309351313 /nfs/dbraw/zinc/35/13/13/309351313.db2.gz KYLVVUMOHMDWLU-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3occc3C(C)C)CC2)CC1 ZINC000422027723 309351826 /nfs/dbraw/zinc/35/18/26/309351826.db2.gz WRTVROQXVWINGB-UHFFFAOYSA-N 2 2 347.503 3.035 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3occc3C(C)C)CC2)CC1 ZINC000422027723 309351827 /nfs/dbraw/zinc/35/18/27/309351827.db2.gz WRTVROQXVWINGB-UHFFFAOYSA-N 2 2 347.503 3.035 20 0 EGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(OCc2ccccn2)c1 ZINC000422721206 309364980 /nfs/dbraw/zinc/36/49/80/309364980.db2.gz NPYHGDWWVDPXNM-JXXFODFXSA-N 2 2 325.456 3.452 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422723078 309365148 /nfs/dbraw/zinc/36/51/48/309365148.db2.gz ZNRSIBXXZHKMNX-YOEHRIQHSA-N 2 2 327.428 3.152 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422727267 309365270 /nfs/dbraw/zinc/36/52/70/309365270.db2.gz BZKJHMABMAQKEQ-XLIONFOSSA-N 2 2 340.467 3.122 20 0 EGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000422737800 309365989 /nfs/dbraw/zinc/36/59/89/309365989.db2.gz ILVDCVDPIXLUIG-PUYPPJJSSA-N 2 2 327.291 3.184 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422791489 309368503 /nfs/dbraw/zinc/36/85/03/309368503.db2.gz QFVGTQMDVKTHTQ-JXFKEZNVSA-N 2 2 326.488 3.168 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422797335 309368905 /nfs/dbraw/zinc/36/89/05/309368905.db2.gz MDPOCOJATJYDLM-YJBOKZPZSA-N 2 2 344.430 3.475 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805186 309369377 /nfs/dbraw/zinc/36/93/77/309369377.db2.gz IREVOFCQRPNANA-FDFHNCONSA-N 3 2 341.543 3.335 20 0 EGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422805186 309369378 /nfs/dbraw/zinc/36/93/78/309369378.db2.gz IREVOFCQRPNANA-FDFHNCONSA-N 3 2 341.543 3.335 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422828937 309370719 /nfs/dbraw/zinc/37/07/19/309370719.db2.gz UEFBUOVBANTYDW-IUODEOHRSA-N 2 2 331.287 3.283 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838544 309371126 /nfs/dbraw/zinc/37/11/26/309371126.db2.gz OSHPXQSIDIUBKS-FPOVZHCZSA-N 3 2 327.516 3.476 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000422839999 309371288 /nfs/dbraw/zinc/37/12/88/309371288.db2.gz RVHZOEIDQQORSL-STZQEDGTSA-N 2 2 338.495 3.370 20 0 EGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422845022 309371608 /nfs/dbraw/zinc/37/16/08/309371608.db2.gz ARTWSPXORWYVMC-YJBOKZPZSA-N 2 2 329.513 3.406 20 0 EGADLP C[C@@H](NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422851924 309372043 /nfs/dbraw/zinc/37/20/43/309372043.db2.gz XNFUQYPKGMPTNF-COXVUDFISA-N 2 2 339.886 3.346 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422862203 309372541 /nfs/dbraw/zinc/37/25/41/309372541.db2.gz KCTZIYZAXGQQKP-YLJYHZDGSA-N 2 2 342.483 3.068 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000422870141 309372924 /nfs/dbraw/zinc/37/29/24/309372924.db2.gz BDNJJHYQKYBADL-UIAACRFSSA-N 2 2 328.431 3.272 20 0 EGADLP [NH3+]C[C@@H]1CCCN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000422879065 309373664 /nfs/dbraw/zinc/37/36/64/309373664.db2.gz KEDZZZUNOOTILO-INIZCTEOSA-N 2 2 340.471 3.034 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cn2)c1 ZINC000422900150 309374965 /nfs/dbraw/zinc/37/49/65/309374965.db2.gz PYUBQUUJEJQYJQ-RDTXWAMCSA-N 2 2 327.428 3.113 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000422903914 309375434 /nfs/dbraw/zinc/37/54/34/309375434.db2.gz PLIDGNQSHMBQRH-HNAYVOBHSA-N 3 2 338.430 3.060 20 0 EGADLP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422933770 309376795 /nfs/dbraw/zinc/37/67/95/309376795.db2.gz DSNKFLULZJKRLH-VQTJNVASSA-N 2 2 337.467 3.451 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422938940 309377083 /nfs/dbraw/zinc/37/70/83/309377083.db2.gz FDWQPLGCCQIUFF-SMDDNHRTSA-N 2 2 327.266 3.078 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939420 309377204 /nfs/dbraw/zinc/37/72/04/309377204.db2.gz RLQKTGZOOCJNKC-MJGOQNOKSA-N 2 2 340.467 3.089 20 0 EGADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422945498 309377487 /nfs/dbraw/zinc/37/74/87/309377487.db2.gz NGRQWEKZRPEOPL-WDEREUQCSA-N 2 2 335.192 3.020 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423013638 309380938 /nfs/dbraw/zinc/38/09/38/309380938.db2.gz NCJSVJCKJPILQB-JHJVBQTASA-N 2 2 331.287 3.281 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423017704 309381245 /nfs/dbraw/zinc/38/12/45/309381245.db2.gz PKLGTCOOBSILDW-BHTHQVBYSA-N 2 2 341.293 3.255 20 0 EGADLP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423103330 309386195 /nfs/dbraw/zinc/38/61/95/309386195.db2.gz PAWVAVNERDPRCF-IAGOWNOFSA-N 2 2 347.409 3.308 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423137331 309387779 /nfs/dbraw/zinc/38/77/79/309387779.db2.gz WCRCEYFVTUJQGH-JLZZUVOBSA-N 2 2 332.394 3.337 20 0 EGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1I ZINC000423257702 309392632 /nfs/dbraw/zinc/39/26/32/309392632.db2.gz ACSUJIMJXRSQDW-RYUDHWBXSA-N 2 2 346.256 3.315 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423272226 309393526 /nfs/dbraw/zinc/39/35/26/309393526.db2.gz JQXVUXJBNDAGPA-UONOGXRCSA-N 2 2 327.266 3.236 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423300715 309394418 /nfs/dbraw/zinc/39/44/18/309394418.db2.gz FASKRKWQCYYHEC-KRWDZBQOSA-N 2 2 342.487 3.149 20 0 EGADLP Fc1ccccc1[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(Br)cc1 ZINC000423309421 309394886 /nfs/dbraw/zinc/39/48/86/309394886.db2.gz ZRLQXUQHSDSNSD-QGZVFWFLSA-N 2 2 349.247 3.487 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423327245 309395333 /nfs/dbraw/zinc/39/53/33/309395333.db2.gz JWTBUPUBMLVJPO-JKSUJKDBSA-N 2 2 330.394 3.167 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000423342746 309396132 /nfs/dbraw/zinc/39/61/32/309396132.db2.gz VPCPOZCZRUGMHK-UHOSZYNNSA-N 2 2 326.440 3.401 20 0 EGADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361752 309397056 /nfs/dbraw/zinc/39/70/56/309397056.db2.gz MNGLSFXATPDRSM-YGRLFVJLSA-N 2 2 327.241 3.307 20 0 EGADLP COC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423378871 309397835 /nfs/dbraw/zinc/39/78/35/309397835.db2.gz WWPDFLLEALXJQX-DAYGRLMNSA-N 2 2 326.431 3.061 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000423414416 309399200 /nfs/dbraw/zinc/39/92/00/309399200.db2.gz MUSSBBCFOHYIMX-IAQYHMDHSA-N 2 2 345.256 3.007 20 0 EGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423419184 309399423 /nfs/dbraw/zinc/39/94/23/309399423.db2.gz IIALULNIWPBVBN-DYVFJYSZSA-N 2 2 326.868 3.158 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CCC[NH2+]1 ZINC000423419847 309399783 /nfs/dbraw/zinc/39/97/83/309399783.db2.gz WLVPJGGGKVMFTQ-ZBFHGGJFSA-N 2 2 329.271 3.339 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000423440622 309400519 /nfs/dbraw/zinc/40/05/19/309400519.db2.gz VTBSBMSKMKSJLV-BDJLRTHQSA-N 2 2 348.821 3.361 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1OCc1ccccc1 ZINC000423516002 309404173 /nfs/dbraw/zinc/40/41/73/309404173.db2.gz NHTWZOUTXGGNBU-PKOBYXMFSA-N 2 2 340.467 3.295 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000423556223 309406331 /nfs/dbraw/zinc/40/63/31/309406331.db2.gz HYOHJHAOCBFHLO-KRWDZBQOSA-N 3 2 341.474 3.470 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000436495395 309757293 /nfs/dbraw/zinc/75/72/93/309757293.db2.gz PCBSMGZYLMAMGS-QGZVFWFLSA-N 2 2 330.476 3.347 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000443207295 309897132 /nfs/dbraw/zinc/89/71/32/309897132.db2.gz YYFOYVNETIQLEP-WVLNKYAVSA-N 2 2 331.504 3.023 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1Cl ZINC000446817273 309968447 /nfs/dbraw/zinc/96/84/47/309968447.db2.gz HITIDIYYQUHXSJ-RISCZKNCSA-N 2 2 349.700 3.066 20 0 EGADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc2ccccc21 ZINC000449128010 310038886 /nfs/dbraw/zinc/03/88/86/310038886.db2.gz XJDIDZRTSOOEKK-LJQANCHMSA-N 2 2 342.483 3.031 20 0 EGADLP Brc1cccc2c(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)ccnc12 ZINC000449131927 310039276 /nfs/dbraw/zinc/03/92/76/310039276.db2.gz QKBOSJFUXLYFBJ-CYBMUJFWSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1cccc2c(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)ccnc12 ZINC000449131927 310039277 /nfs/dbraw/zinc/03/92/77/310039277.db2.gz QKBOSJFUXLYFBJ-CYBMUJFWSA-N 2 2 346.272 3.324 20 0 EGADLP CCC[C@@H](C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)OC ZINC000449374935 310057319 /nfs/dbraw/zinc/05/73/19/310057319.db2.gz GSFPIVUWXHVLQJ-AWEZNQCLSA-N 2 2 340.265 3.310 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449481949 310065577 /nfs/dbraw/zinc/06/55/77/310065577.db2.gz WVRSVDFJLKYVDM-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449481949 310065578 /nfs/dbraw/zinc/06/55/78/310065578.db2.gz WVRSVDFJLKYVDM-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP OC[C@@H]([C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513043 310068309 /nfs/dbraw/zinc/06/83/09/310068309.db2.gz VCYXCYWOFWVENY-NJDAHSKKSA-N 2 2 328.500 3.038 20 0 EGADLP OC[C@@H]([C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513043 310068310 /nfs/dbraw/zinc/06/83/10/310068310.db2.gz VCYXCYWOFWVENY-NJDAHSKKSA-N 2 2 328.500 3.038 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000449653658 310077891 /nfs/dbraw/zinc/07/78/91/310077891.db2.gz COFNPBIQOSERSP-QRVBRYPASA-N 2 2 342.487 3.306 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000449750822 310084215 /nfs/dbraw/zinc/08/42/15/310084215.db2.gz WSTREWSOPDSJRJ-CEXWTWQISA-N 2 2 337.467 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449750822 310084216 /nfs/dbraw/zinc/08/42/16/310084216.db2.gz WSTREWSOPDSJRJ-CEXWTWQISA-N 2 2 337.467 3.090 20 0 EGADLP CCCc1ccc2[nH+]ccc(N3CCN(Cc4[nH]cc[nH+]4)CC3)c2c1 ZINC000450328000 310115700 /nfs/dbraw/zinc/11/57/00/310115700.db2.gz FOAWZOXFTODFJT-UHFFFAOYSA-N 2 2 335.455 3.233 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@H]1CCOC1 ZINC000450691009 310137510 /nfs/dbraw/zinc/13/75/10/310137510.db2.gz WURJRNLZLNBAEB-IYWMVGAKSA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CCOC1 ZINC000450691009 310137511 /nfs/dbraw/zinc/13/75/11/310137511.db2.gz WURJRNLZLNBAEB-IYWMVGAKSA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCOC1 ZINC000450691009 310137512 /nfs/dbraw/zinc/13/75/12/310137512.db2.gz WURJRNLZLNBAEB-IYWMVGAKSA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCOC1 ZINC000450691009 310137513 /nfs/dbraw/zinc/13/75/13/310137513.db2.gz WURJRNLZLNBAEB-IYWMVGAKSA-N 2 2 338.536 3.014 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1OCCc2sccc21 ZINC000451059684 310158193 /nfs/dbraw/zinc/15/81/93/310158193.db2.gz IHUIEJKUPUAZJK-BEFAXECRSA-N 2 2 330.497 3.472 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1OCCc2sccc21 ZINC000451059684 310158194 /nfs/dbraw/zinc/15/81/94/310158194.db2.gz IHUIEJKUPUAZJK-BEFAXECRSA-N 2 2 330.497 3.472 20 0 EGADLP CC[NH+](CC)CCCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453055109 310254632 /nfs/dbraw/zinc/25/46/32/310254632.db2.gz IVHYDKLDKBYIJV-QGZVFWFLSA-N 2 2 334.895 3.484 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453107853 310258631 /nfs/dbraw/zinc/25/86/31/310258631.db2.gz MRAFNQZQTUXQPU-HOJAQTOUSA-N 2 2 326.488 3.333 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000453107853 310258632 /nfs/dbraw/zinc/25/86/32/310258632.db2.gz MRAFNQZQTUXQPU-HOJAQTOUSA-N 2 2 326.488 3.333 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000453235757 310265815 /nfs/dbraw/zinc/26/58/15/310265815.db2.gz YGQBXVRNCXGSNM-INIZCTEOSA-N 2 2 332.879 3.237 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245274 310266498 /nfs/dbraw/zinc/26/64/98/310266498.db2.gz BMKIMOJKDUMTSF-XJKSGUPXSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245274 310266499 /nfs/dbraw/zinc/26/64/99/310266499.db2.gz BMKIMOJKDUMTSF-XJKSGUPXSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250883 310266573 /nfs/dbraw/zinc/26/65/73/310266573.db2.gz HOVNAIWUQREJNQ-CZUORRHYSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250883 310266574 /nfs/dbraw/zinc/26/65/74/310266574.db2.gz HOVNAIWUQREJNQ-CZUORRHYSA-N 2 2 330.394 3.203 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+]3CCCO)ccc2c1 ZINC000453264764 310267966 /nfs/dbraw/zinc/26/79/66/310267966.db2.gz VXOFOULJFALIOV-OXJNMPFZSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3CCC[N@H+]3CCCO)ccc2c1 ZINC000453264764 310267967 /nfs/dbraw/zinc/26/79/67/310267967.db2.gz VXOFOULJFALIOV-OXJNMPFZSA-N 2 2 342.483 3.346 20 0 EGADLP COCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000453321935 310270822 /nfs/dbraw/zinc/27/08/22/310270822.db2.gz HYJKVTMUJHMKHX-INIZCTEOSA-N 2 2 347.503 3.014 20 0 EGADLP Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000453614556 310284435 /nfs/dbraw/zinc/28/44/35/310284435.db2.gz FHPDRCNEYCWRAG-FQEVSTJZSA-N 2 2 335.451 3.182 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)c[nH+]1 ZINC000454221868 310298016 /nfs/dbraw/zinc/29/80/16/310298016.db2.gz XKQWHYZEPJMDSZ-UHFFFAOYSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCC[N@H+](C)C2CCCCC2)c[nH+]1 ZINC000454221868 310298017 /nfs/dbraw/zinc/29/80/17/310298017.db2.gz XKQWHYZEPJMDSZ-UHFFFAOYSA-N 2 2 332.492 3.152 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454488330 310312511 /nfs/dbraw/zinc/31/25/11/310312511.db2.gz YHQMRKXHTRNHHJ-GOSISDBHSA-N 2 2 332.492 3.152 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454488330 310312512 /nfs/dbraw/zinc/31/25/12/310312512.db2.gz YHQMRKXHTRNHHJ-GOSISDBHSA-N 2 2 332.492 3.152 20 0 EGADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454712620 310325228 /nfs/dbraw/zinc/32/52/28/310325228.db2.gz CZZWPQOUIJIFRS-KRWDZBQOSA-N 2 2 341.459 3.035 20 0 EGADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454712620 310325229 /nfs/dbraw/zinc/32/52/29/310325229.db2.gz CZZWPQOUIJIFRS-KRWDZBQOSA-N 2 2 341.459 3.035 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c[nH+]1 ZINC000455534735 310365507 /nfs/dbraw/zinc/36/55/07/310365507.db2.gz ADWLMNKWNRQCGI-UHFFFAOYSA-N 2 2 344.503 3.295 20 0 EGADLP COc1cccc2c1C[C@@H]([NH2+]Cc1c[nH+]c(C)n1-c1ccccc1)C2 ZINC000459695115 310569367 /nfs/dbraw/zinc/56/93/67/310569367.db2.gz JIPKVUGHALJUNX-KRWDZBQOSA-N 2 2 333.435 3.446 20 0 EGADLP Cc1cccc(C[C@H]([NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000480268351 310892154 /nfs/dbraw/zinc/89/21/54/310892154.db2.gz TUWHPENKSVGEHW-WFXMLNOXSA-N 2 2 330.516 3.405 20 0 EGADLP CCOC(=O)N1CCC([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000492279041 311232971 /nfs/dbraw/zinc/23/29/71/311232971.db2.gz UHWKOVAHSJXQQB-INIZCTEOSA-N 2 2 333.476 3.169 20 0 EGADLP CN(C(=O)/C=C\C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000492297221 311235288 /nfs/dbraw/zinc/23/52/88/311235288.db2.gz RBLGHWKNVXFOJG-IWOAIWLDSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)/C=C\C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000492297221 311235289 /nfs/dbraw/zinc/23/52/89/311235289.db2.gz RBLGHWKNVXFOJG-IWOAIWLDSA-N 2 2 347.547 3.138 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000492855687 311299351 /nfs/dbraw/zinc/29/93/51/311299351.db2.gz AOXALZMTADSSLW-YMRTUKTKSA-N 2 2 338.455 3.107 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000492855687 311299352 /nfs/dbraw/zinc/29/93/52/311299352.db2.gz AOXALZMTADSSLW-YMRTUKTKSA-N 2 2 338.455 3.107 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000492915633 311306288 /nfs/dbraw/zinc/30/62/88/311306288.db2.gz WWIJVMUFCXAAAD-TUYSUELWSA-N 2 2 344.846 3.030 20 0 EGADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000493145686 311333784 /nfs/dbraw/zinc/33/37/84/311333784.db2.gz GHVBCLGVFSIFPI-CMDGGOBGSA-N 2 2 338.455 3.115 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000493192411 311340557 /nfs/dbraw/zinc/34/05/57/311340557.db2.gz QVJSMMANRVRNLW-FDMDGMSGSA-N 2 2 346.862 3.276 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000493192411 311340558 /nfs/dbraw/zinc/34/05/58/311340558.db2.gz QVJSMMANRVRNLW-FDMDGMSGSA-N 2 2 346.862 3.276 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000496118110 311664137 /nfs/dbraw/zinc/66/41/37/311664137.db2.gz BXIFUYSAVFKGEF-ZDUSSCGKSA-N 2 2 348.472 3.033 20 0 EGADLP C[C@@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCCOC1 ZINC000507472681 312073851 /nfs/dbraw/zinc/07/38/51/312073851.db2.gz RRDQVCVVKWJHOQ-QZTJIDSGSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCCOC1 ZINC000507472681 312073854 /nfs/dbraw/zinc/07/38/54/312073854.db2.gz RRDQVCVVKWJHOQ-QZTJIDSGSA-N 2 2 338.536 3.205 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)c1 ZINC000510515500 312142061 /nfs/dbraw/zinc/14/20/61/312142061.db2.gz RMHBEEUOFWSHBW-IBGZPJMESA-N 2 2 341.430 3.429 20 0 EGADLP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985043 312152175 /nfs/dbraw/zinc/15/21/75/312152175.db2.gz YZTMLYQEXHCLNN-SXLOBPIMSA-N 2 2 329.532 3.217 20 0 EGADLP CCN1C[C@H](C)[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985043 312152177 /nfs/dbraw/zinc/15/21/77/312152177.db2.gz YZTMLYQEXHCLNN-SXLOBPIMSA-N 2 2 329.532 3.217 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672615 312192096 /nfs/dbraw/zinc/19/20/96/312192096.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C1CC1 ZINC000512672615 312192098 /nfs/dbraw/zinc/19/20/98/312192098.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@H+](C)C1CC1 ZINC000512672615 312192100 /nfs/dbraw/zinc/19/21/00/312192100.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21)[N@@H+](C)C1CC1 ZINC000512672615 312192101 /nfs/dbraw/zinc/19/21/01/312192101.db2.gz LLRVERXORANIMQ-JHMKDJTOSA-N 3 2 341.543 3.359 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)c1 ZINC000513400052 312208919 /nfs/dbraw/zinc/20/89/19/312208919.db2.gz ABOCSVSSSPBYOU-IHWYPQMZSA-N 2 2 327.403 3.065 20 0 EGADLP Cc1ccc2c(C)cc(NC[C@@H](C(C)C)[NH+]3CCOCC3)[nH+]c2c1 ZINC000514944596 312255827 /nfs/dbraw/zinc/25/58/27/312255827.db2.gz QZHDVCPBBCYVIO-IBGZPJMESA-N 2 2 327.472 3.042 20 0 EGADLP Cc1ccccc1CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000516454132 312323905 /nfs/dbraw/zinc/32/39/05/312323905.db2.gz OHDRKHFWZPLTJB-IBGZPJMESA-N 2 2 337.467 3.155 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]C3CCSCC3)CCCCC2)CCO1 ZINC000517559556 312383450 /nfs/dbraw/zinc/38/34/50/312383450.db2.gz FLLRJFYCNVKUPL-UHFFFAOYSA-N 2 2 326.550 3.285 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]C3CCSCC3)CCCCC2)CCO1 ZINC000517559556 312383451 /nfs/dbraw/zinc/38/34/51/312383451.db2.gz FLLRJFYCNVKUPL-UHFFFAOYSA-N 2 2 326.550 3.285 20 0 EGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000519111727 312440525 /nfs/dbraw/zinc/44/05/25/312440525.db2.gz WYHWQSFLSVQAND-BTYIYWSLSA-N 2 2 334.467 3.361 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3[C@H](C)CCC[C@H]3C)c2cc1C ZINC000521219862 312537443 /nfs/dbraw/zinc/53/74/43/312537443.db2.gz URQJUCBQFVTUCB-CKEIUWERSA-N 2 2 329.488 3.428 20 0 EGADLP COc1cccc([C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)OC)c1 ZINC000527916654 312972292 /nfs/dbraw/zinc/97/22/92/312972292.db2.gz BJCVAUHKMCSGHN-LJQANCHMSA-N 2 2 341.455 3.036 20 0 EGADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000528679751 313145547 /nfs/dbraw/zinc/14/55/47/313145547.db2.gz IKGSVWCJJWAJBO-GOSISDBHSA-N 2 2 340.427 3.336 20 0 EGADLP COc1cccc(C[C@H]2CCCCC[N@@H+]2CCc2c[nH+]cn2C)c1 ZINC000528751082 313163713 /nfs/dbraw/zinc/16/37/13/313163713.db2.gz UJADBGUXJJXMQI-GOSISDBHSA-N 2 2 327.472 3.459 20 0 EGADLP COc1cccc(C[C@H]2CCCCC[N@H+]2CCc2c[nH+]cn2C)c1 ZINC000528751082 313163715 /nfs/dbraw/zinc/16/37/15/313163715.db2.gz UJADBGUXJJXMQI-GOSISDBHSA-N 2 2 327.472 3.459 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000528961902 313220427 /nfs/dbraw/zinc/22/04/27/313220427.db2.gz WSBZBWRYZRFNJN-QGZVFWFLSA-N 2 2 341.459 3.171 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000528961902 313220429 /nfs/dbraw/zinc/22/04/29/313220429.db2.gz WSBZBWRYZRFNJN-QGZVFWFLSA-N 2 2 341.459 3.171 20 0 EGADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000530626332 313565426 /nfs/dbraw/zinc/56/54/26/313565426.db2.gz ZDNQDKQWKNTEOV-UHFFFAOYSA-N 2 2 344.286 3.206 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372517 314109593 /nfs/dbraw/zinc/10/95/93/314109593.db2.gz STMOQLGZCIYEIT-AQFXKWCLSA-N 2 2 344.503 3.041 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619221 314131256 /nfs/dbraw/zinc/13/12/56/314131256.db2.gz NPECPEWHRMICAT-WMZOPIPTSA-N 2 2 338.455 3.077 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619221 314131260 /nfs/dbraw/zinc/13/12/60/314131260.db2.gz NPECPEWHRMICAT-WMZOPIPTSA-N 2 2 338.455 3.077 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000536621875 314131873 /nfs/dbraw/zinc/13/18/73/314131873.db2.gz WULXUGPBCCKVJZ-INIZCTEOSA-N 2 2 332.492 3.142 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000536621875 314131876 /nfs/dbraw/zinc/13/18/76/314131876.db2.gz WULXUGPBCCKVJZ-INIZCTEOSA-N 2 2 332.492 3.142 20 0 EGADLP COc1ccc([C@H](C)C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000538308588 314239500 /nfs/dbraw/zinc/23/95/00/314239500.db2.gz YPXMWWAVHYGYPS-QGZVFWFLSA-N 2 2 325.456 3.324 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCSCC(F)(F)F ZINC000539048915 314292534 /nfs/dbraw/zinc/29/25/34/314292534.db2.gz GTVSQSWLQSTKAU-DZGCQCFKSA-N 2 2 332.435 3.392 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCSCC(F)(F)F ZINC000539048915 314292536 /nfs/dbraw/zinc/29/25/36/314292536.db2.gz GTVSQSWLQSTKAU-DZGCQCFKSA-N 2 2 332.435 3.392 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccn(C)n1 ZINC000544580524 314704545 /nfs/dbraw/zinc/70/45/45/314704545.db2.gz XRBJOHHWOMDLEI-IBGZPJMESA-N 2 2 326.488 3.434 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)c2cc1C ZINC000547833088 314945122 /nfs/dbraw/zinc/94/51/22/314945122.db2.gz XJTHNDUNOMICBR-BNEJOLLZSA-N 2 2 329.488 3.428 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000548021228 314962575 /nfs/dbraw/zinc/96/25/75/314962575.db2.gz AKJOTOXAXAYTBF-CTNGQTDRSA-N 2 2 348.450 3.492 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)c2ccccc21 ZINC000549232963 315082912 /nfs/dbraw/zinc/08/29/12/315082912.db2.gz MDKZCXNQYQLMQH-IPELMVKDSA-N 2 2 330.472 3.100 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)c2ccccc21 ZINC000549232963 315082914 /nfs/dbraw/zinc/08/29/14/315082914.db2.gz MDKZCXNQYQLMQH-IPELMVKDSA-N 2 2 330.472 3.100 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000549810304 315105842 /nfs/dbraw/zinc/10/58/42/315105842.db2.gz QJEDFCYXBQVIAK-DLBZAZTESA-N 2 2 336.907 3.488 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)[N@H+](C)C1CC1 ZINC000550121984 315116975 /nfs/dbraw/zinc/11/69/75/315116975.db2.gz DWMVLPFICNWSNZ-OCCSQVGLSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)[N@@H+](C)C1CC1 ZINC000550121984 315116980 /nfs/dbraw/zinc/11/69/80/315116980.db2.gz DWMVLPFICNWSNZ-OCCSQVGLSA-N 2 2 337.305 3.379 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238081 315121416 /nfs/dbraw/zinc/12/14/16/315121416.db2.gz PXCRQJQWPVQNFU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238081 315121419 /nfs/dbraw/zinc/12/14/19/315121419.db2.gz PXCRQJQWPVQNFU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238081 315121423 /nfs/dbraw/zinc/12/14/23/315121423.db2.gz PXCRQJQWPVQNFU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238081 315121425 /nfs/dbraw/zinc/12/14/25/315121425.db2.gz PXCRQJQWPVQNFU-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1cccc(Cl)c1 ZINC000551526271 315157411 /nfs/dbraw/zinc/15/74/11/315157411.db2.gz GEYLSOFLMNHSEO-UHFFFAOYSA-N 2 2 344.846 3.250 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193086 /nfs/dbraw/zinc/19/30/86/315193086.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193090 /nfs/dbraw/zinc/19/30/90/315193090.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193092 /nfs/dbraw/zinc/19/30/92/315193092.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552049506 315193095 /nfs/dbraw/zinc/19/30/95/315193095.db2.gz XPFMWORSWQUZFN-GXRSIYKFSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244993 315208541 /nfs/dbraw/zinc/20/85/41/315208541.db2.gz PTDUOEFFYQIFDD-QAPCUYQASA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244993 315208544 /nfs/dbraw/zinc/20/85/44/315208544.db2.gz PTDUOEFFYQIFDD-QAPCUYQASA-N 2 2 334.504 3.407 20 0 EGADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560055 315225308 /nfs/dbraw/zinc/22/53/08/315225308.db2.gz DUZLBDXWXRPIOQ-WOJBJXKFSA-N 2 2 344.547 3.350 20 0 EGADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560055 315225310 /nfs/dbraw/zinc/22/53/10/315225310.db2.gz DUZLBDXWXRPIOQ-WOJBJXKFSA-N 2 2 344.547 3.350 20 0 EGADLP CC1=CC[N@H+](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000554795713 315349165 /nfs/dbraw/zinc/34/91/65/315349165.db2.gz WJDKTVFNXZWESS-UHFFFAOYSA-N 2 2 337.423 3.256 20 0 EGADLP CC1=CC[N@@H+](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000554795713 315349167 /nfs/dbraw/zinc/34/91/67/315349167.db2.gz WJDKTVFNXZWESS-UHFFFAOYSA-N 2 2 337.423 3.256 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)c2c[nH+]c(C)[nH]2)[NH+](CC)CC)cc1 ZINC000558357682 315561697 /nfs/dbraw/zinc/56/16/97/315561697.db2.gz VMMZZPTYMKCLED-GOSISDBHSA-N 2 2 328.460 3.093 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330350 316138168 /nfs/dbraw/zinc/13/81/68/316138168.db2.gz HFJQJNMZGLSHRX-VQIMIIECSA-N 2 2 348.450 3.497 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330350 316138173 /nfs/dbraw/zinc/13/81/73/316138173.db2.gz HFJQJNMZGLSHRX-VQIMIIECSA-N 2 2 348.450 3.497 20 0 EGADLP C[C@H](Nc1[nH+]c2cccc(F)c2n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000564584636 316170722 /nfs/dbraw/zinc/17/07/22/316170722.db2.gz WVUVABOTLQTFOT-GUYCJALGSA-N 2 2 326.419 3.238 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])c3ccccc3C)ccc2n1C1CC1 ZINC000564938200 316235717 /nfs/dbraw/zinc/23/57/17/316235717.db2.gz WIPKMNBJFYAQPZ-FQEVSTJZSA-N 2 2 348.450 3.304 20 0 EGADLP c1cn(-c2ccccc2OCc2cccc(C[NH+]3CCOCC3)c2)c[nH+]1 ZINC000565768555 316367184 /nfs/dbraw/zinc/36/71/84/316367184.db2.gz SEWAGFKMPUODIZ-UHFFFAOYSA-N 2 2 349.434 3.284 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000565769296 316367971 /nfs/dbraw/zinc/36/79/71/316367971.db2.gz YTPRRYWCIGQKSJ-GOSISDBHSA-N 3 2 341.499 3.184 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c2[nH+]ccn21 ZINC000565936610 316390408 /nfs/dbraw/zinc/39/04/08/316390408.db2.gz QEPWRMCWYIDFJJ-HZPDHXFCSA-N 2 2 347.507 3.233 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1Br ZINC000149729625 454878312 /nfs/dbraw/zinc/87/83/12/454878312.db2.gz NSJYMDOOMDPCOO-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000569686253 316948596 /nfs/dbraw/zinc/94/85/96/316948596.db2.gz HYMAAFALEJHZOX-CVEARBPZSA-N 2 2 330.394 3.035 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000570154822 317015095 /nfs/dbraw/zinc/01/50/95/317015095.db2.gz FTLRAZHUHHNBOX-UWJYYQICSA-N 2 2 335.451 3.186 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c[nH+]1 ZINC000570334904 317041453 /nfs/dbraw/zinc/04/14/53/317041453.db2.gz OWTLNAVBGGJIDE-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000571648517 317227668 /nfs/dbraw/zinc/22/76/68/317227668.db2.gz TWNGSZVFYIZITL-FQEVSTJZSA-N 2 2 326.488 3.293 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000571648517 317227671 /nfs/dbraw/zinc/22/76/71/317227671.db2.gz TWNGSZVFYIZITL-FQEVSTJZSA-N 2 2 326.488 3.293 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000572438955 317338879 /nfs/dbraw/zinc/33/88/79/317338879.db2.gz DUVFQJUTZBCFPH-BXUZGUMPSA-N 2 2 329.257 3.203 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000572438955 317338882 /nfs/dbraw/zinc/33/88/82/317338882.db2.gz DUVFQJUTZBCFPH-BXUZGUMPSA-N 2 2 329.257 3.203 20 0 EGADLP CC1=CCN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482472 317345377 /nfs/dbraw/zinc/34/53/77/317345377.db2.gz VDGMJCKURYGAHC-NRFANRHFSA-N 2 2 339.527 3.425 20 0 EGADLP CC1=CCN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482472 317345380 /nfs/dbraw/zinc/34/53/80/317345380.db2.gz VDGMJCKURYGAHC-NRFANRHFSA-N 2 2 339.527 3.425 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000572691121 317374926 /nfs/dbraw/zinc/37/49/26/317374926.db2.gz FXXXPNWCZSBVGJ-CYBMUJFWSA-N 2 2 325.294 3.236 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000572832894 317398345 /nfs/dbraw/zinc/39/83/45/317398345.db2.gz HWCXMJNDKIRRHM-BRWVUGGUSA-N 2 2 336.357 3.473 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000156051315 455076184 /nfs/dbraw/zinc/07/61/84/455076184.db2.gz VLFKZDZKEDDZQJ-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356432 455937169 /nfs/dbraw/zinc/93/71/69/455937169.db2.gz VOFJESAPZRLIQU-WBMJQRKESA-N 2 2 331.287 3.300 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356432 455937173 /nfs/dbraw/zinc/93/71/73/455937173.db2.gz VOFJESAPZRLIQU-WBMJQRKESA-N 2 2 331.287 3.300 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356432 455937178 /nfs/dbraw/zinc/93/71/78/455937178.db2.gz VOFJESAPZRLIQU-WBMJQRKESA-N 2 2 331.287 3.300 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356432 455937187 /nfs/dbraw/zinc/93/71/87/455937187.db2.gz VOFJESAPZRLIQU-WBMJQRKESA-N 2 2 331.287 3.300 20 0 EGADLP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226437430 456109751 /nfs/dbraw/zinc/10/97/51/456109751.db2.gz OQPBPZHXQRRNLU-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC[NH2+]C1 ZINC000226437430 456109754 /nfs/dbraw/zinc/10/97/54/456109754.db2.gz OQPBPZHXQRRNLU-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183640 456121902 /nfs/dbraw/zinc/12/19/02/456121902.db2.gz KDSFDDPIQAZVCZ-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183640 456121907 /nfs/dbraw/zinc/12/19/07/456121907.db2.gz KDSFDDPIQAZVCZ-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183640 456121914 /nfs/dbraw/zinc/12/19/14/456121914.db2.gz KDSFDDPIQAZVCZ-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(O)ccc3Br)CC[C@H]21 ZINC000228183640 456121920 /nfs/dbraw/zinc/12/19/20/456121920.db2.gz KDSFDDPIQAZVCZ-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3F)C[C@H]21 ZINC000228472148 456122672 /nfs/dbraw/zinc/12/26/72/456122672.db2.gz OUIGODKWVHCVCO-WDBKCZKBSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3F)C[C@H]21 ZINC000228472148 456122676 /nfs/dbraw/zinc/12/26/76/456122676.db2.gz OUIGODKWVHCVCO-WDBKCZKBSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C[NH+]1CCOCC1 ZINC000172634403 323287829 /nfs/dbraw/zinc/28/78/29/323287829.db2.gz PWNVRPFJLREGEM-OAHLLOKOSA-N 2 2 332.419 3.144 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179210950 323374770 /nfs/dbraw/zinc/37/47/70/323374770.db2.gz HUVMNGUDNUUAIA-WDEREUQCSA-N 2 2 332.311 3.288 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179210950 323374771 /nfs/dbraw/zinc/37/47/71/323374771.db2.gz HUVMNGUDNUUAIA-WDEREUQCSA-N 2 2 332.311 3.288 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c(C)c[nH+]1 ZINC000577406198 324802429 /nfs/dbraw/zinc/80/24/29/324802429.db2.gz VYICGRBIEMBAQD-QFBILLFUSA-N 2 2 340.471 3.242 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000577500997 324818666 /nfs/dbraw/zinc/81/86/66/324818666.db2.gz OIGDYOTYVBODEN-ARFHVFGLSA-N 2 2 327.497 3.385 20 0 EGADLP COc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1OC1CCCC1 ZINC000579980258 325186525 /nfs/dbraw/zinc/18/65/25/325186525.db2.gz QQLSCYDFXAWNEY-UHFFFAOYSA-N 2 2 329.444 3.348 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000580326208 325235413 /nfs/dbraw/zinc/23/54/13/325235413.db2.gz LJUICCVWTPUUAS-RHSMWYFYSA-N 2 2 338.879 3.069 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000580326208 325235415 /nfs/dbraw/zinc/23/54/15/325235415.db2.gz LJUICCVWTPUUAS-RHSMWYFYSA-N 2 2 338.879 3.069 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ncccn4)[C@@H]3C2)cc1 ZINC000581836168 325392337 /nfs/dbraw/zinc/39/23/37/325392337.db2.gz WAKKIQPHEWEFLT-ZCNNSNEGSA-N 2 2 336.483 3.257 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ncccn4)[C@@H]3C2)cc1 ZINC000581836168 325392339 /nfs/dbraw/zinc/39/23/39/325392339.db2.gz WAKKIQPHEWEFLT-ZCNNSNEGSA-N 2 2 336.483 3.257 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000361036118 457531019 /nfs/dbraw/zinc/53/10/19/457531019.db2.gz JOPSQVQNSZETIP-OAHLLOKOSA-N 2 2 328.909 3.435 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000361036118 457531024 /nfs/dbraw/zinc/53/10/24/457531024.db2.gz JOPSQVQNSZETIP-OAHLLOKOSA-N 2 2 328.909 3.435 20 0 EGADLP Cc1ccc2[nH+]cc(CNc3ccccc3C[NH+]3CCOCC3)n2c1 ZINC000157785231 455232217 /nfs/dbraw/zinc/23/22/17/455232217.db2.gz WCZLWTJYNVJMRK-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262910 455264159 /nfs/dbraw/zinc/26/41/59/455264159.db2.gz VNFORPRAHYPQDY-CRAIPNDOSA-N 2 2 344.528 3.435 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093801 455268129 /nfs/dbraw/zinc/26/81/29/455268129.db2.gz UBCBTKPSCWUSQM-UKRRQHHQSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093801 455268132 /nfs/dbraw/zinc/26/81/32/455268132.db2.gz UBCBTKPSCWUSQM-UKRRQHHQSA-N 2 2 347.894 3.222 20 0 EGADLP C[NH+](C)CC1(C[NH2+]Cc2ncc(Br)cc2F)CCCC1 ZINC000623492363 460578791 /nfs/dbraw/zinc/57/87/91/460578791.db2.gz VLEMKWNVZVLAEX-UHFFFAOYSA-N 2 2 344.272 3.195 20 0 EGADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(OC)c1 ZINC000030651830 453837410 /nfs/dbraw/zinc/83/74/10/453837410.db2.gz YZHHHRPKJGPWOK-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000245754889 455374349 /nfs/dbraw/zinc/37/43/49/455374349.db2.gz ZGJRCQVBMKEICZ-AOIWGVFYSA-N 2 2 346.519 3.336 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000245754889 455374351 /nfs/dbraw/zinc/37/43/51/455374351.db2.gz ZGJRCQVBMKEICZ-AOIWGVFYSA-N 2 2 346.519 3.336 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000076002564 453947512 /nfs/dbraw/zinc/94/75/12/453947512.db2.gz KLDXGWWAEDHPNL-FQEVSTJZSA-N 2 2 345.531 3.087 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000076002564 453947516 /nfs/dbraw/zinc/94/75/16/453947516.db2.gz KLDXGWWAEDHPNL-FQEVSTJZSA-N 2 2 345.531 3.087 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076001954 453947740 /nfs/dbraw/zinc/94/77/40/453947740.db2.gz USUOIWJSEZLUGQ-AZUAARDMSA-N 2 2 345.531 3.087 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076001954 453947742 /nfs/dbraw/zinc/94/77/42/453947742.db2.gz USUOIWJSEZLUGQ-AZUAARDMSA-N 2 2 345.531 3.087 20 0 EGADLP CC(C)c1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000076330361 453989440 /nfs/dbraw/zinc/98/94/40/453989440.db2.gz MWPSXNFCQPKAEU-UHFFFAOYSA-N 2 2 346.519 3.300 20 0 EGADLP CC(C)c1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000076330361 453989441 /nfs/dbraw/zinc/98/94/41/453989441.db2.gz MWPSXNFCQPKAEU-UHFFFAOYSA-N 2 2 346.519 3.300 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000084663766 454003851 /nfs/dbraw/zinc/00/38/51/454003851.db2.gz CSZGABFBIDFQTE-CYBMUJFWSA-N 2 2 337.514 3.072 20 0 EGADLP Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4[nH+]ccn4c3)CC2)c1 ZINC000068549001 454036555 /nfs/dbraw/zinc/03/65/55/454036555.db2.gz HWARGGQFLBIZDH-UHFFFAOYSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1ccc([C@H](CNc2cc(-n3cc[nH+]c3)ncn2)[NH+]2CCCC2)cc1 ZINC000077213949 454076265 /nfs/dbraw/zinc/07/62/65/454076265.db2.gz AFTQZQZEFHSYHS-SFHVURJKSA-N 2 2 348.454 3.220 20 0 EGADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CCOC3)cc2)c[nH+]1 ZINC000088701618 454117301 /nfs/dbraw/zinc/11/73/01/454117301.db2.gz WFHHNBAKXABXHA-HXUWFJFHSA-N 2 2 333.435 3.477 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(CO)o1 ZINC000089930206 454237461 /nfs/dbraw/zinc/23/74/61/454237461.db2.gz KXWCDPPZRXKRHR-HZPDHXFCSA-N 2 2 328.456 3.018 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000119959959 454241471 /nfs/dbraw/zinc/24/14/71/454241471.db2.gz XYMLEIZBVZFBHY-ZNMIVQPWSA-N 2 2 342.430 3.438 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000119959959 454241476 /nfs/dbraw/zinc/24/14/76/454241476.db2.gz XYMLEIZBVZFBHY-ZNMIVQPWSA-N 2 2 342.430 3.438 20 0 EGADLP CC(C)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000071920138 454257664 /nfs/dbraw/zinc/25/76/64/454257664.db2.gz RWVAXIYBKGEJRL-UHFFFAOYSA-N 2 2 346.519 3.300 20 0 EGADLP CC(C)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000071920138 454257670 /nfs/dbraw/zinc/25/76/70/454257670.db2.gz RWVAXIYBKGEJRL-UHFFFAOYSA-N 2 2 346.519 3.300 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)ccc1SC ZINC000090047981 454267261 /nfs/dbraw/zinc/26/72/61/454267261.db2.gz AOGMKJMKTGXALZ-LSDHHAIUSA-N 2 2 338.517 3.179 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000131609583 454268880 /nfs/dbraw/zinc/26/88/80/454268880.db2.gz RNGOXNUAMGKURQ-MRXNPFEDSA-N 2 2 341.421 3.312 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000131609583 454268882 /nfs/dbraw/zinc/26/88/82/454268882.db2.gz RNGOXNUAMGKURQ-MRXNPFEDSA-N 2 2 341.421 3.312 20 0 EGADLP CC(C)c1cc(NCCN2CCC([NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000090106017 454279518 /nfs/dbraw/zinc/27/95/18/454279518.db2.gz BJEFIPOYTATNMB-UHFFFAOYSA-N 2 2 333.524 3.161 20 0 EGADLP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H]1OC ZINC000090461516 454309196 /nfs/dbraw/zinc/30/91/96/454309196.db2.gz LBJKTTYKCBAGPW-OALUTQOASA-N 2 2 331.504 3.229 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cnn(C)c1 ZINC000090667918 454334878 /nfs/dbraw/zinc/33/48/78/454334878.db2.gz GRVPHYBBKODQOG-BEFAXECRSA-N 2 2 327.476 3.081 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc(OC)c1OC ZINC000090847434 454345588 /nfs/dbraw/zinc/34/55/88/454345588.db2.gz OYYFUDNHTBXORJ-AWEZNQCLSA-N 2 2 330.428 3.309 20 0 EGADLP CC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)Cc2ccccc2C1 ZINC000090972604 454356431 /nfs/dbraw/zinc/35/64/31/454356431.db2.gz VWSPTASUYXUQAU-UHFFFAOYSA-N 2 2 335.495 3.441 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072508 454515703 /nfs/dbraw/zinc/51/57/03/454515703.db2.gz RPFKDGDXDQHNLT-GFCCVEGCSA-N 2 2 337.370 3.399 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072508 454515709 /nfs/dbraw/zinc/51/57/09/454515709.db2.gz RPFKDGDXDQHNLT-GFCCVEGCSA-N 2 2 337.370 3.399 20 0 EGADLP CCOCc1ccccc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000122686100 454559187 /nfs/dbraw/zinc/55/91/87/454559187.db2.gz YYTMEQINOPOWLN-UHFFFAOYSA-N 2 2 339.483 3.372 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000080339159 454568470 /nfs/dbraw/zinc/56/84/70/454568470.db2.gz BRNLZMORABICHX-PKOBYXMFSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000080339159 454568478 /nfs/dbraw/zinc/56/84/78/454568478.db2.gz BRNLZMORABICHX-PKOBYXMFSA-N 2 2 334.467 3.477 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCC3CCCCC3)CC2)CC1 ZINC000050800247 454599172 /nfs/dbraw/zinc/59/91/72/454599172.db2.gz XPMYUDBGGDUZTE-UHFFFAOYSA-N 2 2 349.563 3.412 20 0 EGADLP COc1cc[nH+]cc1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000074540573 454599861 /nfs/dbraw/zinc/59/98/61/454599861.db2.gz CEWHATVJVHUFFG-UHFFFAOYSA-N 2 2 325.368 3.150 20 0 EGADLP CC[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)[N@H+]1CCc2ccccc2C1 ZINC000123132359 454605662 /nfs/dbraw/zinc/60/56/62/454605662.db2.gz PUGNHVATRVPTJK-QUCCMNQESA-N 2 2 338.499 3.224 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972747 454662808 /nfs/dbraw/zinc/66/28/08/454662808.db2.gz KUUNKAAADFAYGJ-ROUUACIJSA-N 2 2 340.471 3.199 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972747 454662810 /nfs/dbraw/zinc/66/28/10/454662810.db2.gz KUUNKAAADFAYGJ-ROUUACIJSA-N 2 2 340.471 3.199 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973430 454663338 /nfs/dbraw/zinc/66/33/38/454663338.db2.gz AUYDKKLLZOZRGH-YJBOKZPZSA-N 2 2 340.471 3.029 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973430 454663342 /nfs/dbraw/zinc/66/33/42/454663342.db2.gz AUYDKKLLZOZRGH-YJBOKZPZSA-N 2 2 340.471 3.029 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000105897556 454666657 /nfs/dbraw/zinc/66/66/57/454666657.db2.gz OROJBBHMVWERCH-PBHICJAKSA-N 2 2 333.863 3.469 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000105897556 454666659 /nfs/dbraw/zinc/66/66/59/454666659.db2.gz OROJBBHMVWERCH-PBHICJAKSA-N 2 2 333.863 3.469 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)c1 ZINC000093079280 454678475 /nfs/dbraw/zinc/67/84/75/454678475.db2.gz GAMGFOUXLSXRNJ-UHFFFAOYSA-N 2 2 344.484 3.136 20 0 EGADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)s1 ZINC000106936574 454732124 /nfs/dbraw/zinc/73/21/24/454732124.db2.gz NXGGPEBJINRKAA-CRAIPNDOSA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000106936574 454732128 /nfs/dbraw/zinc/73/21/28/454732128.db2.gz NXGGPEBJINRKAA-CRAIPNDOSA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000106936574 454732134 /nfs/dbraw/zinc/73/21/34/454732134.db2.gz NXGGPEBJINRKAA-CRAIPNDOSA-N 2 2 347.528 3.246 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000124451751 454735222 /nfs/dbraw/zinc/73/52/22/454735222.db2.gz PQIBGOFBRKVXQP-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000124451751 454735227 /nfs/dbraw/zinc/73/52/27/454735227.db2.gz PQIBGOFBRKVXQP-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000152916107 454740622 /nfs/dbraw/zinc/74/06/22/454740622.db2.gz KJOUYPSVGXCPGV-HNNXBMFYSA-N 2 2 329.448 3.323 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000152916107 454740627 /nfs/dbraw/zinc/74/06/27/454740627.db2.gz KJOUYPSVGXCPGV-HNNXBMFYSA-N 2 2 329.448 3.323 20 0 EGADLP CCCn1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccccc21 ZINC000093865880 454742160 /nfs/dbraw/zinc/74/21/60/454742160.db2.gz WVKTWURGIJBARA-KRWDZBQOSA-N 2 2 336.439 3.495 20 0 EGADLP CCCn1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccccc21 ZINC000093865880 454742165 /nfs/dbraw/zinc/74/21/65/454742165.db2.gz WVKTWURGIJBARA-KRWDZBQOSA-N 2 2 336.439 3.495 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000136458847 454743197 /nfs/dbraw/zinc/74/31/97/454743197.db2.gz JGNHUBLCUMGVCH-ZHACJKMWSA-N 2 2 340.471 3.073 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000136458847 454743201 /nfs/dbraw/zinc/74/32/01/454743201.db2.gz JGNHUBLCUMGVCH-ZHACJKMWSA-N 2 2 340.471 3.073 20 0 EGADLP CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000162017225 454746351 /nfs/dbraw/zinc/74/63/51/454746351.db2.gz DEDZAACBEMLMSJ-QGZVFWFLSA-N 2 2 341.455 3.428 20 0 EGADLP CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000162017225 454746354 /nfs/dbraw/zinc/74/63/54/454746354.db2.gz DEDZAACBEMLMSJ-QGZVFWFLSA-N 2 2 341.455 3.428 20 0 EGADLP Cn1cc([C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2cccc(F)c2)cn1 ZINC000635009681 460651914 /nfs/dbraw/zinc/65/19/14/460651914.db2.gz HQNFNTRGGKZWFY-ZWKOTPCHSA-N 2 2 330.451 3.016 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000107368922 454754075 /nfs/dbraw/zinc/75/40/75/454754075.db2.gz DXXLVLRXNGIDDG-CQSZACIVSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000107368922 454754078 /nfs/dbraw/zinc/75/40/78/454754078.db2.gz DXXLVLRXNGIDDG-CQSZACIVSA-N 2 2 342.314 3.205 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c2ccccc12 ZINC000153168366 454766322 /nfs/dbraw/zinc/76/63/22/454766322.db2.gz UAKXMIXFXWZNFN-SJORKVTESA-N 2 2 342.483 3.467 20 0 EGADLP CCCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124852206 454776640 /nfs/dbraw/zinc/77/66/40/454776640.db2.gz IQCVTQRIOYNNIB-MOPGFXCFSA-N 2 2 337.552 3.362 20 0 EGADLP CCCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124852206 454776645 /nfs/dbraw/zinc/77/66/45/454776645.db2.gz IQCVTQRIOYNNIB-MOPGFXCFSA-N 2 2 337.552 3.362 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000153345492 454784917 /nfs/dbraw/zinc/78/49/17/454784917.db2.gz PUJXXJYQPYSIMM-KGLIPLIRSA-N 2 2 346.393 3.204 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000137939725 454787914 /nfs/dbraw/zinc/78/79/14/454787914.db2.gz SGRXZQMWSSZYPW-DLBZAZTESA-N 2 2 332.517 3.396 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000153742964 454827592 /nfs/dbraw/zinc/82/75/92/454827592.db2.gz CPOAEZMSDVHCRF-CYBMUJFWSA-N 2 2 329.282 3.068 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000153742964 454827597 /nfs/dbraw/zinc/82/75/97/454827597.db2.gz CPOAEZMSDVHCRF-CYBMUJFWSA-N 2 2 329.282 3.068 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212466 454830996 /nfs/dbraw/zinc/83/09/96/454830996.db2.gz VWZZBFHWBGGUHV-WDEREUQCSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212466 454831001 /nfs/dbraw/zinc/83/10/01/454831001.db2.gz VWZZBFHWBGGUHV-WDEREUQCSA-N 2 2 347.684 3.150 20 0 EGADLP CCC(CC)(CC)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000266862477 455465228 /nfs/dbraw/zinc/46/52/28/455465228.db2.gz KRUKPLVWLXJQAJ-UHFFFAOYSA-N 2 2 347.503 3.016 20 0 EGADLP COc1ccc([C@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1OC ZINC000110113576 454841903 /nfs/dbraw/zinc/84/19/03/454841903.db2.gz RKSUWYCKYHMWID-HNNXBMFYSA-N 2 2 344.459 3.332 20 0 EGADLP COc1ccccc1C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000177260358 454843982 /nfs/dbraw/zinc/84/39/82/454843982.db2.gz JLNJXDRUQVIJKC-UHFFFAOYSA-N 2 2 334.423 3.441 20 0 EGADLP COc1ccccc1C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000177260358 454843986 /nfs/dbraw/zinc/84/39/86/454843986.db2.gz JLNJXDRUQVIJKC-UHFFFAOYSA-N 2 2 334.423 3.441 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1Cl ZINC000177330497 454852881 /nfs/dbraw/zinc/85/28/81/454852881.db2.gz NYJBNHFNUVHYRL-CABCVRRESA-N 2 2 335.879 3.227 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1Cl ZINC000177330497 454852884 /nfs/dbraw/zinc/85/28/84/454852884.db2.gz NYJBNHFNUVHYRL-CABCVRRESA-N 2 2 335.879 3.227 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1Cl ZINC000177330497 454852887 /nfs/dbraw/zinc/85/28/87/454852887.db2.gz NYJBNHFNUVHYRL-CABCVRRESA-N 2 2 335.879 3.227 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1Cl ZINC000177330497 454852891 /nfs/dbraw/zinc/85/28/91/454852891.db2.gz NYJBNHFNUVHYRL-CABCVRRESA-N 2 2 335.879 3.227 20 0 EGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000149456474 454876606 /nfs/dbraw/zinc/87/66/06/454876606.db2.gz LKLQSDSJFHOFKB-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000149456474 454876609 /nfs/dbraw/zinc/87/66/09/454876609.db2.gz LKLQSDSJFHOFKB-KRWDZBQOSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000164504770 454883168 /nfs/dbraw/zinc/88/31/68/454883168.db2.gz ROXHKTKTXXJENZ-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000164504770 454883176 /nfs/dbraw/zinc/88/31/76/454883176.db2.gz ROXHKTKTXXJENZ-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000164504770 454883177 /nfs/dbraw/zinc/88/31/77/454883177.db2.gz ROXHKTKTXXJENZ-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000164504770 454883180 /nfs/dbraw/zinc/88/31/80/454883180.db2.gz ROXHKTKTXXJENZ-UTKZUKDTSA-N 3 2 341.499 3.341 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177669819 454889822 /nfs/dbraw/zinc/88/98/22/454889822.db2.gz MILNOVXARFTYBQ-LJQANCHMSA-N 2 2 336.439 3.034 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150810276 454895994 /nfs/dbraw/zinc/89/59/94/454895994.db2.gz NJYUCROPDSKEOB-UYAOXDASSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150810276 454895995 /nfs/dbraw/zinc/89/59/95/454895995.db2.gz NJYUCROPDSKEOB-UYAOXDASSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000150835254 454899496 /nfs/dbraw/zinc/89/94/96/454899496.db2.gz QFJKQSBVHRJFHL-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000150835254 454899500 /nfs/dbraw/zinc/89/95/00/454899500.db2.gz QFJKQSBVHRJFHL-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000126513998 454899713 /nfs/dbraw/zinc/89/97/13/454899713.db2.gz JGWFFOXIXPGOCC-BZNIZROVSA-N 2 2 339.361 3.385 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000126513998 454899718 /nfs/dbraw/zinc/89/97/18/454899718.db2.gz JGWFFOXIXPGOCC-BZNIZROVSA-N 2 2 339.361 3.385 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000150895167 454908436 /nfs/dbraw/zinc/90/84/36/454908436.db2.gz MYAZTVOXJROJQX-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000150895167 454908440 /nfs/dbraw/zinc/90/84/40/454908440.db2.gz MYAZTVOXJROJQX-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000154574733 454908728 /nfs/dbraw/zinc/90/87/28/454908728.db2.gz ZZYCBPPOZVLVTN-QGZVFWFLSA-N 2 2 346.500 3.231 20 0 EGADLP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000154574733 454908733 /nfs/dbraw/zinc/90/87/33/454908733.db2.gz ZZYCBPPOZVLVTN-QGZVFWFLSA-N 2 2 346.500 3.231 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000177954626 454922304 /nfs/dbraw/zinc/92/23/04/454922304.db2.gz JFACCFUYFKPSBH-ICSRJNTNSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000177954626 454922307 /nfs/dbraw/zinc/92/23/07/454922307.db2.gz JFACCFUYFKPSBH-ICSRJNTNSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000151027768 454927055 /nfs/dbraw/zinc/92/70/55/454927055.db2.gz IRMJHXORIYTHJN-UHFFFAOYSA-N 2 2 344.528 3.142 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000151027768 454927059 /nfs/dbraw/zinc/92/70/59/454927059.db2.gz IRMJHXORIYTHJN-UHFFFAOYSA-N 2 2 344.528 3.142 20 0 EGADLP Cc1nn(C)c(C)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481003 454956433 /nfs/dbraw/zinc/95/64/33/454956433.db2.gz PTMOLTSEARNRCG-UHFFFAOYSA-N 2 2 326.488 3.133 20 0 EGADLP Cc1nn(C)c(C)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481003 454956435 /nfs/dbraw/zinc/95/64/35/454956435.db2.gz PTMOLTSEARNRCG-UHFFFAOYSA-N 2 2 326.488 3.133 20 0 EGADLP Cc1ccc(-n2cc(C[NH2+]CCn3cc[nH+]c3)c(C(C)(C)C)n2)cc1 ZINC000151325064 454968962 /nfs/dbraw/zinc/96/89/62/454968962.db2.gz NCWFLTZQSDHQKI-UHFFFAOYSA-N 2 2 337.471 3.465 20 0 EGADLP CCn1cc([C@H](C)[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000155685512 455031292 /nfs/dbraw/zinc/03/12/92/455031292.db2.gz AFAKEUICHHYJBV-INIZCTEOSA-N 2 2 326.488 3.391 20 0 EGADLP CCn1cc([C@H](C)[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000155685512 455031293 /nfs/dbraw/zinc/03/12/93/455031293.db2.gz AFAKEUICHHYJBV-INIZCTEOSA-N 2 2 326.488 3.391 20 0 EGADLP CC1CC[NH+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000156014764 455072854 /nfs/dbraw/zinc/07/28/54/455072854.db2.gz ACSVPCXQSJEJRR-UHFFFAOYSA-N 2 2 341.499 3.141 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000156051315 455076179 /nfs/dbraw/zinc/07/61/79/455076179.db2.gz VLFKZDZKEDDZQJ-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145893 455078923 /nfs/dbraw/zinc/07/89/23/455078923.db2.gz IYHUZDPWXWEMCM-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145893 455078926 /nfs/dbraw/zinc/07/89/26/455078926.db2.gz IYHUZDPWXWEMCM-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145893 455078930 /nfs/dbraw/zinc/07/89/30/455078930.db2.gz IYHUZDPWXWEMCM-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000152145893 455078934 /nfs/dbraw/zinc/07/89/34/455078934.db2.gz IYHUZDPWXWEMCM-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179837795 455086616 /nfs/dbraw/zinc/08/66/16/455086616.db2.gz VFDDEKJKVOBJAR-UHFFFAOYSA-N 2 2 328.460 3.048 20 0 EGADLP C[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCOC1 ZINC000179955749 455105670 /nfs/dbraw/zinc/10/56/70/455105670.db2.gz IBZDWKVSCYONEX-WMZOPIPTSA-N 2 2 331.504 3.302 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156359287 455109226 /nfs/dbraw/zinc/10/92/26/455109226.db2.gz ZIEHLLMPGTZIRA-GUYCJALGSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156359287 455109230 /nfs/dbraw/zinc/10/92/30/455109230.db2.gz ZIEHLLMPGTZIRA-GUYCJALGSA-N 2 2 345.830 3.215 20 0 EGADLP Cn1cc([C@H]([NH2+]CCC[NH+]2CCCCC2)c2cccc(F)c2)cn1 ZINC000180016337 455116207 /nfs/dbraw/zinc/11/62/07/455116207.db2.gz JKDDQPNIEPSHKH-LJQANCHMSA-N 2 2 330.451 3.114 20 0 EGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156534399 455129293 /nfs/dbraw/zinc/12/92/93/455129293.db2.gz OLKYIBWYUHIMGE-BBRMVZONSA-N 2 2 332.835 3.058 20 0 EGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000156534399 455129296 /nfs/dbraw/zinc/12/92/96/455129296.db2.gz OLKYIBWYUHIMGE-BBRMVZONSA-N 2 2 332.835 3.058 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000156589079 455135812 /nfs/dbraw/zinc/13/58/12/455135812.db2.gz HONLIPIJZDCKBY-LPHOPBHVSA-N 2 2 342.487 3.075 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000156589079 455135813 /nfs/dbraw/zinc/13/58/13/455135813.db2.gz HONLIPIJZDCKBY-LPHOPBHVSA-N 2 2 342.487 3.075 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583088 455163286 /nfs/dbraw/zinc/16/32/86/455163286.db2.gz JDDWNUKUPOJCOJ-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583088 455163287 /nfs/dbraw/zinc/16/32/87/455163287.db2.gz JDDWNUKUPOJCOJ-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583088 455163288 /nfs/dbraw/zinc/16/32/88/455163288.db2.gz JDDWNUKUPOJCOJ-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583088 455163289 /nfs/dbraw/zinc/16/32/89/455163289.db2.gz JDDWNUKUPOJCOJ-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(SC)cc1OC ZINC000172597237 455164255 /nfs/dbraw/zinc/16/42/55/455164255.db2.gz SVLHPCCYIXOXFE-CYBMUJFWSA-N 2 2 335.473 3.048 20 0 EGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000180459736 455173229 /nfs/dbraw/zinc/17/32/29/455173229.db2.gz IWDFDJVAUYYBRZ-UHFFFAOYSA-N 2 2 341.293 3.420 20 0 EGADLP COc1ccc([C@H](C[NH2+]Cc2ccc(O)cc2)[NH+]2CCCC2)cc1 ZINC000237335883 455174386 /nfs/dbraw/zinc/17/43/86/455174386.db2.gz NVBSANGETPKDOA-FQEVSTJZSA-N 2 2 326.440 3.328 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157359700 455187549 /nfs/dbraw/zinc/18/75/49/455187549.db2.gz ZCLASYKESROLHN-QUCCMNQESA-N 2 2 347.547 3.332 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157359700 455187556 /nfs/dbraw/zinc/18/75/56/455187556.db2.gz ZCLASYKESROLHN-QUCCMNQESA-N 2 2 347.547 3.332 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188695 455278627 /nfs/dbraw/zinc/27/86/27/455278627.db2.gz KRAQWQDMWDNZRS-KRWDZBQOSA-N 3 2 335.923 3.236 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000158188695 455278631 /nfs/dbraw/zinc/27/86/31/455278631.db2.gz KRAQWQDMWDNZRS-KRWDZBQOSA-N 3 2 335.923 3.236 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431507 455296760 /nfs/dbraw/zinc/29/67/60/455296760.db2.gz ATCGWMXFWQXILH-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431507 455296764 /nfs/dbraw/zinc/29/67/64/455296764.db2.gz ATCGWMXFWQXILH-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431507 455296769 /nfs/dbraw/zinc/29/67/69/455296769.db2.gz ATCGWMXFWQXILH-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431507 455296775 /nfs/dbraw/zinc/29/67/75/455296775.db2.gz ATCGWMXFWQXILH-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000245445076 455303482 /nfs/dbraw/zinc/30/34/82/455303482.db2.gz KBCXLCPJZAASSR-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000245445076 455303486 /nfs/dbraw/zinc/30/34/86/455303486.db2.gz KBCXLCPJZAASSR-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000245445076 455303491 /nfs/dbraw/zinc/30/34/91/455303491.db2.gz KBCXLCPJZAASSR-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000245445076 455303494 /nfs/dbraw/zinc/30/34/94/455303494.db2.gz KBCXLCPJZAASSR-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158583511 455314095 /nfs/dbraw/zinc/31/40/95/455314095.db2.gz RXQWTIFNIBBQBR-IPMKNSEASA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158583511 455314097 /nfs/dbraw/zinc/31/40/97/455314097.db2.gz RXQWTIFNIBBQBR-IPMKNSEASA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000158583511 455314102 /nfs/dbraw/zinc/31/41/02/455314102.db2.gz RXQWTIFNIBBQBR-IPMKNSEASA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000158583511 455314105 /nfs/dbraw/zinc/31/41/05/455314105.db2.gz RXQWTIFNIBBQBR-IPMKNSEASA-N 2 2 343.515 3.355 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158979627 455342571 /nfs/dbraw/zinc/34/25/71/455342571.db2.gz AXVLXCZMDFBFLX-GOEBONIOSA-N 2 2 340.895 3.092 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000158994498 455343688 /nfs/dbraw/zinc/34/36/88/455343688.db2.gz OBMUEQLUYWZULA-PXNSSMCTSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000158994498 455343693 /nfs/dbraw/zinc/34/36/93/455343693.db2.gz OBMUEQLUYWZULA-PXNSSMCTSA-N 2 2 327.472 3.442 20 0 EGADLP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000245704219 455360489 /nfs/dbraw/zinc/36/04/89/455360489.db2.gz YAVSDWNZJUPASS-KGLIPLIRSA-N 2 2 334.489 3.039 20 0 EGADLP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000245704219 455360493 /nfs/dbraw/zinc/36/04/93/455360493.db2.gz YAVSDWNZJUPASS-KGLIPLIRSA-N 2 2 334.489 3.039 20 0 EGADLP CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245750588 455372516 /nfs/dbraw/zinc/37/25/16/455372516.db2.gz XMENNROERFNTOI-WOJBJXKFSA-N 2 2 343.515 3.096 20 0 EGADLP CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245750588 455372518 /nfs/dbraw/zinc/37/25/18/455372518.db2.gz XMENNROERFNTOI-WOJBJXKFSA-N 2 2 343.515 3.096 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CCO1 ZINC000606446104 460671609 /nfs/dbraw/zinc/67/16/09/460671609.db2.gz NINITLBZIGQGCR-GHTPSQKGSA-N 2 2 329.488 3.302 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000246276511 455462169 /nfs/dbraw/zinc/46/21/69/455462169.db2.gz BCYOGDHVJAFAAQ-RHSMWYFYSA-N 2 2 342.512 3.416 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000246276511 455462173 /nfs/dbraw/zinc/46/21/73/455462173.db2.gz BCYOGDHVJAFAAQ-RHSMWYFYSA-N 2 2 342.512 3.416 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000266930515 455477740 /nfs/dbraw/zinc/47/77/40/455477740.db2.gz OPLYCEFQQMDQKA-ZIAGYGMSSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000266930515 455477747 /nfs/dbraw/zinc/47/77/47/455477747.db2.gz OPLYCEFQQMDQKA-ZIAGYGMSSA-N 2 2 346.862 3.120 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266931867 455478055 /nfs/dbraw/zinc/47/80/55/455478055.db2.gz OXBGLVKLKQYSQF-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266931867 455478057 /nfs/dbraw/zinc/47/80/57/455478057.db2.gz OXBGLVKLKQYSQF-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266964318 455484724 /nfs/dbraw/zinc/48/47/24/455484724.db2.gz XOPAPDXODJCHLE-SJLPKXTDSA-N 2 2 338.455 3.093 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266964318 455484727 /nfs/dbraw/zinc/48/47/27/455484727.db2.gz XOPAPDXODJCHLE-SJLPKXTDSA-N 2 2 338.455 3.093 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000191583742 455500186 /nfs/dbraw/zinc/50/01/86/455500186.db2.gz BRDMYJGIZDSSTD-FXAWDEMLSA-N 2 2 335.451 3.435 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000191836027 455524104 /nfs/dbraw/zinc/52/41/04/455524104.db2.gz SHJMWRZGRMKASS-QFIPXVFZSA-N 2 2 336.479 3.035 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000191836027 455524108 /nfs/dbraw/zinc/52/41/08/455524108.db2.gz SHJMWRZGRMKASS-QFIPXVFZSA-N 2 2 336.479 3.035 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246895899 455534743 /nfs/dbraw/zinc/53/47/43/455534743.db2.gz FAPXZPGYVLJTOU-QEUPLWARSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246895899 455534747 /nfs/dbraw/zinc/53/47/47/455534747.db2.gz FAPXZPGYVLJTOU-QEUPLWARSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246895899 455534751 /nfs/dbraw/zinc/53/47/51/455534751.db2.gz FAPXZPGYVLJTOU-QEUPLWARSA-N 3 2 329.532 3.358 20 0 EGADLP CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000192137012 455562424 /nfs/dbraw/zinc/56/24/24/455562424.db2.gz UAYKJPHQZJMRGE-MRXNPFEDSA-N 2 2 335.835 3.163 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000247354913 455591092 /nfs/dbraw/zinc/59/10/92/455591092.db2.gz GXLFWCOBWAJZTO-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000247354913 455591094 /nfs/dbraw/zinc/59/10/94/455591094.db2.gz GXLFWCOBWAJZTO-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675022 455593428 /nfs/dbraw/zinc/59/34/28/455593428.db2.gz ZIDZHKAXHLOEOG-WBVHZDCISA-N 2 2 340.471 3.479 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675022 455593431 /nfs/dbraw/zinc/59/34/31/455593431.db2.gz ZIDZHKAXHLOEOG-WBVHZDCISA-N 2 2 340.471 3.479 20 0 EGADLP CC(C)CO[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929433 455612937 /nfs/dbraw/zinc/61/29/37/455612937.db2.gz CQEGKVCMXQFFEU-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929433 455612943 /nfs/dbraw/zinc/61/29/43/455612943.db2.gz CQEGKVCMXQFFEU-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929433 455612947 /nfs/dbraw/zinc/61/29/47/455612947.db2.gz CQEGKVCMXQFFEU-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929433 455612954 /nfs/dbraw/zinc/61/29/54/455612954.db2.gz CQEGKVCMXQFFEU-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993256 455620189 /nfs/dbraw/zinc/62/01/89/455620189.db2.gz HLBJOGQFJJCMSE-QZTJIDSGSA-N 2 2 345.487 3.114 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993256 455620195 /nfs/dbraw/zinc/62/01/95/455620195.db2.gz HLBJOGQFJJCMSE-QZTJIDSGSA-N 2 2 345.487 3.114 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277649814 455623728 /nfs/dbraw/zinc/62/37/28/455623728.db2.gz ZBRLKXCJFQNVCC-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277649814 455623735 /nfs/dbraw/zinc/62/37/35/455623735.db2.gz ZBRLKXCJFQNVCC-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247771879 455645105 /nfs/dbraw/zinc/64/51/05/455645105.db2.gz PJNWTRTXFNLTHG-IRXDYDNUSA-N 2 2 347.507 3.158 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247771879 455645106 /nfs/dbraw/zinc/64/51/06/455645106.db2.gz PJNWTRTXFNLTHG-IRXDYDNUSA-N 2 2 347.507 3.158 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C12CCC2 ZINC000247976753 455664442 /nfs/dbraw/zinc/66/44/42/455664442.db2.gz HXMSKODFHCOZGR-RSPOEFSDSA-N 2 2 343.515 3.229 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C12CCC2 ZINC000247976753 455664449 /nfs/dbraw/zinc/66/44/49/455664449.db2.gz HXMSKODFHCOZGR-RSPOEFSDSA-N 2 2 343.515 3.229 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248008831 455669027 /nfs/dbraw/zinc/66/90/27/455669027.db2.gz LARKYZKVAUACEV-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248008831 455669035 /nfs/dbraw/zinc/66/90/35/455669035.db2.gz LARKYZKVAUACEV-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248008831 455669041 /nfs/dbraw/zinc/66/90/41/455669041.db2.gz LARKYZKVAUACEV-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248008831 455669044 /nfs/dbraw/zinc/66/90/44/455669044.db2.gz LARKYZKVAUACEV-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248008820 455669818 /nfs/dbraw/zinc/66/98/18/455669818.db2.gz LARKYZKVAUACEV-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248008820 455669822 /nfs/dbraw/zinc/66/98/22/455669822.db2.gz LARKYZKVAUACEV-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248008820 455669826 /nfs/dbraw/zinc/66/98/26/455669826.db2.gz LARKYZKVAUACEV-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248008820 455669827 /nfs/dbraw/zinc/66/98/27/455669827.db2.gz LARKYZKVAUACEV-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248181408 455695467 /nfs/dbraw/zinc/69/54/67/455695467.db2.gz WMQKQQZZZGNVCZ-OIISXLGYSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248181408 455695476 /nfs/dbraw/zinc/69/54/76/455695476.db2.gz WMQKQQZZZGNVCZ-OIISXLGYSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248181408 455695480 /nfs/dbraw/zinc/69/54/80/455695480.db2.gz WMQKQQZZZGNVCZ-OIISXLGYSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248181408 455695485 /nfs/dbraw/zinc/69/54/85/455695485.db2.gz WMQKQQZZZGNVCZ-OIISXLGYSA-N 2 2 326.444 3.214 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248199746 455697692 /nfs/dbraw/zinc/69/76/92/455697692.db2.gz YHHIPHOAIYDSSY-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248199746 455697697 /nfs/dbraw/zinc/69/76/97/455697697.db2.gz YHHIPHOAIYDSSY-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248199746 455697703 /nfs/dbraw/zinc/69/77/03/455697703.db2.gz YHHIPHOAIYDSSY-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248199746 455697708 /nfs/dbraw/zinc/69/77/08/455697708.db2.gz YHHIPHOAIYDSSY-DAYGRLMNSA-N 2 2 347.528 3.152 20 0 EGADLP CCOc1cc2[nH+]ccc(NCc3[nH+]ccn3C)c2cc1OCC ZINC000271611292 455700027 /nfs/dbraw/zinc/70/00/27/455700027.db2.gz KIWODXAISPJOGG-UHFFFAOYSA-N 2 2 326.400 3.378 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268746914 455713253 /nfs/dbraw/zinc/71/32/53/455713253.db2.gz AYHILSFLDDGFRJ-VCBZYWHSSA-N 2 2 344.503 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268746914 455713257 /nfs/dbraw/zinc/71/32/57/455713257.db2.gz AYHILSFLDDGFRJ-VCBZYWHSSA-N 2 2 344.503 3.350 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849922 455715697 /nfs/dbraw/zinc/71/56/97/455715697.db2.gz WFRICVXYQMDORV-NVXWUHKLSA-N 2 2 339.487 3.019 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccc(C)cc1 ZINC000268849922 455715704 /nfs/dbraw/zinc/71/57/04/455715704.db2.gz WFRICVXYQMDORV-NVXWUHKLSA-N 2 2 339.487 3.019 20 0 EGADLP C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735744 455733105 /nfs/dbraw/zinc/73/31/05/455733105.db2.gz CZJNTOLYOZATPN-NSHGMRRFSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735744 455733108 /nfs/dbraw/zinc/73/31/08/455733108.db2.gz CZJNTOLYOZATPN-NSHGMRRFSA-N 2 2 340.471 3.173 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268942144 455738645 /nfs/dbraw/zinc/73/86/45/455738645.db2.gz AKPNEVADVTWUSQ-ZYSHUDEJSA-N 2 2 328.456 3.264 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268942144 455738650 /nfs/dbraw/zinc/73/86/50/455738650.db2.gz AKPNEVADVTWUSQ-ZYSHUDEJSA-N 2 2 328.456 3.264 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000268947721 455740499 /nfs/dbraw/zinc/74/04/99/455740499.db2.gz BRFGJXQLIUQYBL-ATZDWAIDSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2ccsc2)C[N@H+]1Cc1ccccc1 ZINC000268947721 455740501 /nfs/dbraw/zinc/74/05/01/455740501.db2.gz BRFGJXQLIUQYBL-ATZDWAIDSA-N 2 2 330.497 3.208 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000268962932 455746417 /nfs/dbraw/zinc/74/64/17/455746417.db2.gz XRPIBEZYHZKPQO-YADHBBJMSA-N 2 2 337.511 3.196 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000268962932 455746421 /nfs/dbraw/zinc/74/64/21/455746421.db2.gz XRPIBEZYHZKPQO-YADHBBJMSA-N 2 2 337.511 3.196 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@@H](C)C1 ZINC000249432962 455755896 /nfs/dbraw/zinc/75/58/96/455755896.db2.gz KFJFQGIAOKLTJG-JKSUJKDBSA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@@H](C)C1 ZINC000249432962 455755901 /nfs/dbraw/zinc/75/59/01/455755901.db2.gz KFJFQGIAOKLTJG-JKSUJKDBSA-N 2 2 331.460 3.054 20 0 EGADLP CC[C@@H](C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000271793393 455762245 /nfs/dbraw/zinc/76/22/45/455762245.db2.gz JPZDMMDJOHVQGL-KRWDZBQOSA-N 2 2 332.488 3.187 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@@H+]1C ZINC000186570020 455795975 /nfs/dbraw/zinc/79/59/75/455795975.db2.gz GAQWAEWRBQVARI-XYPHTWIQSA-N 2 2 343.437 3.380 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@H+]1C ZINC000186570020 455795981 /nfs/dbraw/zinc/79/59/81/455795981.db2.gz GAQWAEWRBQVARI-XYPHTWIQSA-N 2 2 343.437 3.380 20 0 EGADLP CC[N@H+](CCCn1cc[nH+]c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000269135503 455796388 /nfs/dbraw/zinc/79/63/88/455796388.db2.gz QNDGMICQQIJZIH-UHFFFAOYSA-N 3 2 341.503 3.215 20 0 EGADLP CC[N@@H+](CCCn1cc[nH+]c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000269135503 455796389 /nfs/dbraw/zinc/79/63/89/455796389.db2.gz QNDGMICQQIJZIH-UHFFFAOYSA-N 3 2 341.503 3.215 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1O ZINC000278295046 455809408 /nfs/dbraw/zinc/80/94/08/455809408.db2.gz CXLWLOZFVJZZNT-YJBOKZPZSA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1O ZINC000278295046 455809409 /nfs/dbraw/zinc/80/94/09/455809409.db2.gz CXLWLOZFVJZZNT-YJBOKZPZSA-N 2 2 332.488 3.328 20 0 EGADLP Cc1cnc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000285290779 455818275 /nfs/dbraw/zinc/81/82/75/455818275.db2.gz BDLBUBPSUBVJCH-QGZVFWFLSA-N 2 2 344.528 3.314 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c2ccccc21 ZINC000278371534 455831693 /nfs/dbraw/zinc/83/16/93/455831693.db2.gz CGKKSHJYOAXYTR-PMACEKPBSA-N 2 2 343.515 3.013 20 0 EGADLP FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000278650035 455843499 /nfs/dbraw/zinc/84/34/99/455843499.db2.gz JSFFNSHTZONYCZ-LBPRGKRZSA-N 2 2 349.360 3.456 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000285587202 455876226 /nfs/dbraw/zinc/87/62/26/455876226.db2.gz XGQCWAMOXAWHDO-CYBMUJFWSA-N 2 2 349.360 3.266 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)s1 ZINC000285636254 455885738 /nfs/dbraw/zinc/88/57/38/455885738.db2.gz KQAJXTFNXRXADZ-HZTRTUMWSA-N 2 2 349.544 3.099 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)s1 ZINC000285636254 455885743 /nfs/dbraw/zinc/88/57/43/455885743.db2.gz KQAJXTFNXRXADZ-HZTRTUMWSA-N 2 2 349.544 3.099 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)c(Cl)c3)C[C@@H]12 ZINC000261579995 455908922 /nfs/dbraw/zinc/90/89/22/455908922.db2.gz PVDPFXYHSVZMIT-MISXGVKJSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)c(Cl)c3)C[C@@H]12 ZINC000261579995 455908926 /nfs/dbraw/zinc/90/89/26/455908926.db2.gz PVDPFXYHSVZMIT-MISXGVKJSA-N 2 2 329.669 3.272 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OCC ZINC000261619750 455915192 /nfs/dbraw/zinc/91/51/92/455915192.db2.gz DDDWSDMORWSMQN-RBUKOAKNSA-N 2 2 340.467 3.411 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OCC ZINC000261619750 455915198 /nfs/dbraw/zinc/91/51/98/455915198.db2.gz DDDWSDMORWSMQN-RBUKOAKNSA-N 2 2 340.467 3.411 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261636746 455918569 /nfs/dbraw/zinc/91/85/69/455918569.db2.gz DGAKCIVPEAEJTB-FQEVSTJZSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261636746 455918576 /nfs/dbraw/zinc/91/85/76/455918576.db2.gz DGAKCIVPEAEJTB-FQEVSTJZSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@H]1COCC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000195098077 455921154 /nfs/dbraw/zinc/92/11/54/455921154.db2.gz VVOHMMBSSXJSSM-KBXCAEBGSA-N 2 2 335.467 3.193 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OC(F)F ZINC000261812910 455951910 /nfs/dbraw/zinc/95/19/10/455951910.db2.gz VUEIKWSCAUTIQZ-TZMCWYRMSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])ccc1OC(F)F ZINC000261812910 455951913 /nfs/dbraw/zinc/95/19/13/455951913.db2.gz VUEIKWSCAUTIQZ-TZMCWYRMSA-N 2 2 328.403 3.246 20 0 EGADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261823525 455955051 /nfs/dbraw/zinc/95/50/51/455955051.db2.gz UUQKTKUPAWAJNU-GOSISDBHSA-N 2 2 337.467 3.366 20 0 EGADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261823525 455955058 /nfs/dbraw/zinc/95/50/58/455955058.db2.gz UUQKTKUPAWAJNU-GOSISDBHSA-N 2 2 337.467 3.366 20 0 EGADLP Cc1ccccc1OCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272507142 455975425 /nfs/dbraw/zinc/97/54/25/455975425.db2.gz FNSLMSSLOFFOBS-UHFFFAOYSA-N 2 2 330.394 3.380 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551581 455981689 /nfs/dbraw/zinc/98/16/89/455981689.db2.gz BLBJSWGCERCQPD-FXAWDEMLSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551581 455981693 /nfs/dbraw/zinc/98/16/93/455981693.db2.gz BLBJSWGCERCQPD-FXAWDEMLSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551581 455981700 /nfs/dbraw/zinc/98/17/00/455981700.db2.gz BLBJSWGCERCQPD-FXAWDEMLSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551581 455981703 /nfs/dbraw/zinc/98/17/03/455981703.db2.gz BLBJSWGCERCQPD-FXAWDEMLSA-N 3 2 326.488 3.176 20 0 EGADLP Fc1ccc([C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090730 455994401 /nfs/dbraw/zinc/99/44/01/455994401.db2.gz YRMRBPCWBYFMBX-RBUKOAKNSA-N 2 2 342.462 3.492 20 0 EGADLP Fc1ccc([C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090730 455994405 /nfs/dbraw/zinc/99/44/05/455994405.db2.gz YRMRBPCWBYFMBX-RBUKOAKNSA-N 2 2 342.462 3.492 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262082622 455994733 /nfs/dbraw/zinc/99/47/33/455994733.db2.gz TZGYRSHXOZCRRH-UZLBHIALSA-N 2 2 332.451 3.318 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262082622 455994738 /nfs/dbraw/zinc/99/47/38/455994738.db2.gz TZGYRSHXOZCRRH-UZLBHIALSA-N 2 2 332.451 3.318 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000286181237 455995048 /nfs/dbraw/zinc/99/50/48/455995048.db2.gz QWJNWVUCXPXUKH-JJRVBVJISA-N 2 2 332.488 3.158 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000286181237 455995051 /nfs/dbraw/zinc/99/50/51/455995051.db2.gz QWJNWVUCXPXUKH-JJRVBVJISA-N 2 2 332.488 3.158 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286349698 456029762 /nfs/dbraw/zinc/02/97/62/456029762.db2.gz ZEQFPAQKXGKDAK-FAYHIZQSSA-N 2 2 340.870 3.365 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286349698 456029765 /nfs/dbraw/zinc/02/97/65/456029765.db2.gz ZEQFPAQKXGKDAK-FAYHIZQSSA-N 2 2 340.870 3.365 20 0 EGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000188259339 456031141 /nfs/dbraw/zinc/03/11/41/456031141.db2.gz FKVONDWVZWWNTN-JKSUJKDBSA-N 2 2 325.460 3.056 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cn1 ZINC000296827974 456047988 /nfs/dbraw/zinc/04/79/88/456047988.db2.gz WGCFNEIJXJLIQM-UHFFFAOYSA-N 2 2 336.439 3.093 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000272741940 456057912 /nfs/dbraw/zinc/05/79/12/456057912.db2.gz LEPYMOGBGULCJL-KBXCAEBGSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cs1 ZINC000272741940 456057916 /nfs/dbraw/zinc/05/79/16/456057916.db2.gz LEPYMOGBGULCJL-KBXCAEBGSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900410 456062450 /nfs/dbraw/zinc/06/24/50/456062450.db2.gz QYTJTNFABQDPJZ-LEWJYISDSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900410 456062458 /nfs/dbraw/zinc/06/24/58/456062458.db2.gz QYTJTNFABQDPJZ-LEWJYISDSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000270900410 456062460 /nfs/dbraw/zinc/06/24/60/456062460.db2.gz QYTJTNFABQDPJZ-LEWJYISDSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000270900410 456062463 /nfs/dbraw/zinc/06/24/63/456062463.db2.gz QYTJTNFABQDPJZ-LEWJYISDSA-N 3 2 338.499 3.178 20 0 EGADLP CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226437425 456110581 /nfs/dbraw/zinc/11/05/81/456110581.db2.gz OQPBPZHXQRRNLU-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000226437425 456110584 /nfs/dbraw/zinc/11/05/84/456110584.db2.gz OQPBPZHXQRRNLU-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP COc1cccc([C@H](CNc2cc[nH+]c(C(C)(C)C)n2)[NH+](C)C)c1 ZINC000301448056 456118925 /nfs/dbraw/zinc/11/89/25/456118925.db2.gz RAIVRWAOIHYYMO-INIZCTEOSA-N 2 2 328.460 3.498 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309941 456135943 /nfs/dbraw/zinc/13/59/43/456135943.db2.gz MRWRXZPOENFLCY-NXEZZACHSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309941 456135946 /nfs/dbraw/zinc/13/59/46/456135946.db2.gz MRWRXZPOENFLCY-NXEZZACHSA-N 2 2 333.220 3.300 20 0 EGADLP Cc1noc(C)c1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000236675228 456167153 /nfs/dbraw/zinc/16/71/53/456167153.db2.gz QNGRTYLVZZRUMF-FQEVSTJZSA-N 2 2 327.472 3.464 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000297296073 456176350 /nfs/dbraw/zinc/17/63/50/456176350.db2.gz MBCDPYWGPAMQIV-RHSMWYFYSA-N 2 2 341.459 3.281 20 0 EGADLP Cc1nn2c(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)c(C(C)C)nc2s1 ZINC000333289894 456194232 /nfs/dbraw/zinc/19/42/32/456194232.db2.gz OJXDTHYAXCIPBC-SCRDCRAPSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1nn2c(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)c(C(C)C)nc2s1 ZINC000333289894 456194239 /nfs/dbraw/zinc/19/42/39/456194239.db2.gz OJXDTHYAXCIPBC-SCRDCRAPSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000290061357 456229644 /nfs/dbraw/zinc/22/96/44/456229644.db2.gz XTXQZIMTFNLFMM-HZPDHXFCSA-N 2 2 326.488 3.486 20 0 EGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000290061357 456229648 /nfs/dbraw/zinc/22/96/48/456229648.db2.gz XTXQZIMTFNLFMM-HZPDHXFCSA-N 2 2 326.488 3.486 20 0 EGADLP O[C@@H]1C[C@@H](CNc2cc[nH+]c3ccsc32)[N@H+](Cc2ccccc2)C1 ZINC000301894988 456245250 /nfs/dbraw/zinc/24/52/50/456245250.db2.gz XLTSYDWEVSHNMJ-JKSUJKDBSA-N 2 2 339.464 3.344 20 0 EGADLP O[C@@H]1C[C@@H](CNc2cc[nH+]c3ccsc32)[N@@H+](Cc2ccccc2)C1 ZINC000301894988 456245255 /nfs/dbraw/zinc/24/52/55/456245255.db2.gz XLTSYDWEVSHNMJ-JKSUJKDBSA-N 2 2 339.464 3.344 20 0 EGADLP OCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(Cl)cc(Cl)c1 ZINC000623798942 460721070 /nfs/dbraw/zinc/72/10/70/460721070.db2.gz JRFALQXKPKANCD-HNNXBMFYSA-N 2 2 340.254 3.349 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000290193428 456264077 /nfs/dbraw/zinc/26/40/77/456264077.db2.gz CIFIXFYJQOSSHA-QGZVFWFLSA-N 2 2 343.858 3.371 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000290225020 456270406 /nfs/dbraw/zinc/27/04/06/456270406.db2.gz IGFZSZJOMRVOBK-AWEZNQCLSA-N 2 2 336.863 3.029 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000290225020 456270408 /nfs/dbraw/zinc/27/04/08/456270408.db2.gz IGFZSZJOMRVOBK-AWEZNQCLSA-N 2 2 336.863 3.029 20 0 EGADLP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297676370 456274110 /nfs/dbraw/zinc/27/41/10/456274110.db2.gz OWQAPGLZYUXQSN-OAQYLSRUSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760527 456282226 /nfs/dbraw/zinc/28/22/26/456282226.db2.gz PWEWHKMWOQMMHC-RDJZCZTQSA-N 2 2 344.528 3.130 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760527 456282231 /nfs/dbraw/zinc/28/22/31/456282231.db2.gz PWEWHKMWOQMMHC-RDJZCZTQSA-N 2 2 344.528 3.130 20 0 EGADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760527 456282242 /nfs/dbraw/zinc/28/22/42/456282242.db2.gz PWEWHKMWOQMMHC-RDJZCZTQSA-N 2 2 344.528 3.130 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340172606 456288418 /nfs/dbraw/zinc/28/84/18/456288418.db2.gz SUWQABVYDKEHKJ-RXVVDRJESA-N 2 2 340.515 3.222 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340172606 456288423 /nfs/dbraw/zinc/28/84/23/456288423.db2.gz SUWQABVYDKEHKJ-RXVVDRJESA-N 2 2 340.515 3.222 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1F ZINC000340171696 456289255 /nfs/dbraw/zinc/28/92/55/456289255.db2.gz LWBDJXNTXXXMLL-KRWDZBQOSA-N 2 2 342.462 3.084 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340172609 456289394 /nfs/dbraw/zinc/28/93/94/456289394.db2.gz SUWQABVYDKEHKJ-WIYYLYMNSA-N 2 2 340.515 3.222 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340172609 456289399 /nfs/dbraw/zinc/28/93/99/456289399.db2.gz SUWQABVYDKEHKJ-WIYYLYMNSA-N 2 2 340.515 3.222 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(Br)cc2)s1 ZINC000352772622 456293501 /nfs/dbraw/zinc/29/35/01/456293501.db2.gz RIBFHCNGVJYVND-UHFFFAOYSA-N 2 2 340.290 3.257 20 0 EGADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721934 456295262 /nfs/dbraw/zinc/29/52/62/456295262.db2.gz SPJGRQYOCARKLF-UKRRQHHQSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721934 456295267 /nfs/dbraw/zinc/29/52/67/456295267.db2.gz SPJGRQYOCARKLF-UKRRQHHQSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721934 456295269 /nfs/dbraw/zinc/29/52/69/456295269.db2.gz SPJGRQYOCARKLF-UKRRQHHQSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(SC)cc1OC ZINC000275721934 456295270 /nfs/dbraw/zinc/29/52/70/456295270.db2.gz SPJGRQYOCARKLF-UKRRQHHQSA-N 2 2 338.517 3.198 20 0 EGADLP CSc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000352793516 456313937 /nfs/dbraw/zinc/31/39/37/456313937.db2.gz FSUJDOJOUSZMDE-GOSISDBHSA-N 2 2 348.537 3.197 20 0 EGADLP CSc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000352793516 456313942 /nfs/dbraw/zinc/31/39/42/456313942.db2.gz FSUJDOJOUSZMDE-GOSISDBHSA-N 2 2 348.537 3.197 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340231251 456326739 /nfs/dbraw/zinc/32/67/39/456326739.db2.gz NNWKXAVIJBYSLH-LSTHTHJFSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340231251 456326749 /nfs/dbraw/zinc/32/67/49/456326749.db2.gz NNWKXAVIJBYSLH-LSTHTHJFSA-N 3 2 326.488 3.253 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000352807624 456327023 /nfs/dbraw/zinc/32/70/23/456327023.db2.gz WURCBPMJPIUBAI-NVXWUHKLSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000352807624 456327029 /nfs/dbraw/zinc/32/70/29/456327029.db2.gz WURCBPMJPIUBAI-NVXWUHKLSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)oc1C ZINC000352807624 456327036 /nfs/dbraw/zinc/32/70/36/456327036.db2.gz WURCBPMJPIUBAI-NVXWUHKLSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)oc1C ZINC000352807624 456327040 /nfs/dbraw/zinc/32/70/40/456327040.db2.gz WURCBPMJPIUBAI-NVXWUHKLSA-N 2 2 348.487 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501770 456346248 /nfs/dbraw/zinc/34/62/48/456346248.db2.gz PFNKTTUYAKAGHE-RDTXWAMCSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501770 456346252 /nfs/dbraw/zinc/34/62/52/456346252.db2.gz PFNKTTUYAKAGHE-RDTXWAMCSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501770 456346256 /nfs/dbraw/zinc/34/62/56/456346256.db2.gz PFNKTTUYAKAGHE-RDTXWAMCSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501770 456346263 /nfs/dbraw/zinc/34/62/63/456346263.db2.gz PFNKTTUYAKAGHE-RDTXWAMCSA-N 2 2 332.879 3.298 20 0 EGADLP COc1cccc2c(N(C)CC(C)(C)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000302508001 456350014 /nfs/dbraw/zinc/35/00/14/456350014.db2.gz FHJZZZCYAKYZBY-UHFFFAOYSA-N 2 2 343.471 3.038 20 0 EGADLP C[N@H+](Cc1cc[nH+]c(N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000298075390 456359624 /nfs/dbraw/zinc/35/96/24/456359624.db2.gz JRRNYHUSLBIRAN-HOCLYGCPSA-N 2 2 338.238 3.061 20 0 EGADLP C[N@@H+](Cc1cc[nH+]c(N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000298075390 456359628 /nfs/dbraw/zinc/35/96/28/456359628.db2.gz JRRNYHUSLBIRAN-HOCLYGCPSA-N 2 2 338.238 3.061 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000337542983 456368586 /nfs/dbraw/zinc/36/85/86/456368586.db2.gz APEASOCYCYGLAJ-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2cccnc2)CC1 ZINC000302722450 456383233 /nfs/dbraw/zinc/38/32/33/456383233.db2.gz PYFCYMNHJOMYRY-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000340319361 456385920 /nfs/dbraw/zinc/38/59/20/456385920.db2.gz UMCSQLCMIDPFIE-QKPAOTATSA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000340319361 456385928 /nfs/dbraw/zinc/38/59/28/456385928.db2.gz UMCSQLCMIDPFIE-QKPAOTATSA-N 2 2 330.394 3.113 20 0 EGADLP CCCn1cc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000343088938 456398535 /nfs/dbraw/zinc/39/85/35/456398535.db2.gz ALYDHNGXOAPFDK-NRFANRHFSA-N 2 2 340.515 3.466 20 0 EGADLP CCCn1cc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000343088938 456398541 /nfs/dbraw/zinc/39/85/41/456398541.db2.gz ALYDHNGXOAPFDK-NRFANRHFSA-N 2 2 340.515 3.466 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)s1 ZINC000347851890 456405889 /nfs/dbraw/zinc/40/58/89/456405889.db2.gz IYAJVKKDCRLPET-QGZVFWFLSA-N 2 2 345.512 3.243 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)s1 ZINC000347851890 456405891 /nfs/dbraw/zinc/40/58/91/456405891.db2.gz IYAJVKKDCRLPET-QGZVFWFLSA-N 2 2 345.512 3.243 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913983 456433201 /nfs/dbraw/zinc/43/32/01/456433201.db2.gz UWYZLYYOFMASMA-MSOLQXFVSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913983 456433213 /nfs/dbraw/zinc/43/32/13/456433213.db2.gz UWYZLYYOFMASMA-MSOLQXFVSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913983 456433219 /nfs/dbraw/zinc/43/32/19/456433219.db2.gz UWYZLYYOFMASMA-MSOLQXFVSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913983 456433226 /nfs/dbraw/zinc/43/32/26/456433226.db2.gz UWYZLYYOFMASMA-MSOLQXFVSA-N 2 2 343.519 3.168 20 0 EGADLP CC(C)CC[NH+]1CCC(CNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302912565 456433452 /nfs/dbraw/zinc/43/34/52/456433452.db2.gz UBTXSRAHYNYWMP-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP CC(C)CC[NH+]1CCC(CNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302912565 456433461 /nfs/dbraw/zinc/43/34/61/456433461.db2.gz UBTXSRAHYNYWMP-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OC)c(OC)c1 ZINC000353031835 456450388 /nfs/dbraw/zinc/45/03/88/456450388.db2.gz DBEKXVRSCWWODP-HNNXBMFYSA-N 2 2 349.500 3.463 20 0 EGADLP c1[nH]c2nccnc2c1C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000290915358 456465547 /nfs/dbraw/zinc/46/55/47/456465547.db2.gz PXIMDCCYQFXBNO-SFHVURJKSA-N 2 2 335.455 3.102 20 0 EGADLP c1[nH]c2nccnc2c1C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000290915358 456465549 /nfs/dbraw/zinc/46/55/49/456465549.db2.gz PXIMDCCYQFXBNO-SFHVURJKSA-N 2 2 335.455 3.102 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353083325 456478745 /nfs/dbraw/zinc/47/87/45/456478745.db2.gz RANKQWQVCTXFGZ-APWZRJJASA-N 2 2 325.456 3.058 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353083325 456478753 /nfs/dbraw/zinc/47/87/53/456478753.db2.gz RANKQWQVCTXFGZ-APWZRJJASA-N 2 2 325.456 3.058 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1F ZINC000340536852 456518190 /nfs/dbraw/zinc/51/81/90/456518190.db2.gz SZHWBTXHHDSBAQ-GJZGRUSLSA-N 2 2 328.435 3.492 20 0 EGADLP OCc1ccccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305150751 456531374 /nfs/dbraw/zinc/53/13/74/456531374.db2.gz TZWCMCQCWSXUKN-UHFFFAOYSA-N 2 2 342.458 3.115 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644805 456540206 /nfs/dbraw/zinc/54/02/06/456540206.db2.gz RRADYWMCZHZYRT-QFBILLFUSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644805 456540211 /nfs/dbraw/zinc/54/02/11/456540211.db2.gz RRADYWMCZHZYRT-QFBILLFUSA-N 2 2 341.503 3.033 20 0 EGADLP COCc1ccc([C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)o1 ZINC000348255113 456573499 /nfs/dbraw/zinc/57/34/99/456573499.db2.gz QHZUXCWZEQRAAN-OAHLLOKOSA-N 2 2 335.473 3.281 20 0 EGADLP COCc1ccc([C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)o1 ZINC000348255113 456573503 /nfs/dbraw/zinc/57/35/03/456573503.db2.gz QHZUXCWZEQRAAN-OAHLLOKOSA-N 2 2 335.473 3.281 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310820347 456584343 /nfs/dbraw/zinc/58/43/43/456584343.db2.gz DISKXCQZJOTCPJ-NZSAHSFTSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310820347 456584349 /nfs/dbraw/zinc/58/43/49/456584349.db2.gz DISKXCQZJOTCPJ-NZSAHSFTSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310820347 456584355 /nfs/dbraw/zinc/58/43/55/456584355.db2.gz DISKXCQZJOTCPJ-NZSAHSFTSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310820347 456584360 /nfs/dbraw/zinc/58/43/60/456584360.db2.gz DISKXCQZJOTCPJ-NZSAHSFTSA-N 2 2 344.499 3.171 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(OC(C)C)c3)CC2)c1 ZINC000353268588 456599981 /nfs/dbraw/zinc/59/99/81/456599981.db2.gz RWYRZSNGWGJYNT-UHFFFAOYSA-N 2 2 341.455 3.200 20 0 EGADLP CC(C)(CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000276876312 456606174 /nfs/dbraw/zinc/60/61/74/456606174.db2.gz KOULFTBDBPJBLB-KRWDZBQOSA-N 2 2 330.451 3.350 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCS2 ZINC000317040029 456617047 /nfs/dbraw/zinc/61/70/47/456617047.db2.gz WCAYZGYMZZSGKQ-SQWLQELKSA-N 2 2 338.904 3.330 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCS2 ZINC000317040029 456617053 /nfs/dbraw/zinc/61/70/53/456617053.db2.gz WCAYZGYMZZSGKQ-SQWLQELKSA-N 2 2 338.904 3.330 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000343476853 456648295 /nfs/dbraw/zinc/64/82/95/456648295.db2.gz OBQHRDQRWRTMID-BEFAXECRSA-N 2 2 329.488 3.245 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000343476853 456648304 /nfs/dbraw/zinc/64/83/04/456648304.db2.gz OBQHRDQRWRTMID-BEFAXECRSA-N 2 2 329.488 3.245 20 0 EGADLP COc1cccc(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)c1 ZINC000353365768 456649997 /nfs/dbraw/zinc/64/99/97/456649997.db2.gz WBFQIHIMFRQWJC-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542004 456695942 /nfs/dbraw/zinc/69/59/42/456695942.db2.gz SZJBXKSSSSOVKI-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542004 456695946 /nfs/dbraw/zinc/69/59/46/456695946.db2.gz SZJBXKSSSSOVKI-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542004 456695952 /nfs/dbraw/zinc/69/59/52/456695952.db2.gz SZJBXKSSSSOVKI-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Br)c2)C[C@H]1C ZINC000343542004 456695956 /nfs/dbraw/zinc/69/59/56/456695956.db2.gz SZJBXKSSSSOVKI-IUODEOHRSA-N 2 2 326.282 3.149 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171231 456706660 /nfs/dbraw/zinc/70/66/60/456706660.db2.gz KSSWGCPRCMBBFQ-VQTJNVASSA-N 2 2 343.515 3.156 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000277171231 456706665 /nfs/dbraw/zinc/70/66/65/456706665.db2.gz KSSWGCPRCMBBFQ-VQTJNVASSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524227 456735553 /nfs/dbraw/zinc/73/55/53/456735553.db2.gz FZSCFMOQVIMADK-MJGOQNOKSA-N 2 2 340.471 3.103 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524227 456735559 /nfs/dbraw/zinc/73/55/59/456735559.db2.gz FZSCFMOQVIMADK-MJGOQNOKSA-N 2 2 340.471 3.103 20 0 EGADLP FC(F)Cn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000353526051 456737007 /nfs/dbraw/zinc/73/70/07/456737007.db2.gz ZYDXCNCHVOZOJN-UHFFFAOYSA-N 2 2 337.418 3.037 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000338291029 456749762 /nfs/dbraw/zinc/74/97/62/456749762.db2.gz UDYRUXQQIHIPHN-INIZCTEOSA-N 2 2 343.309 3.194 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1C ZINC000353553485 456755224 /nfs/dbraw/zinc/75/52/24/456755224.db2.gz DWQCRXNTMHTONL-HNNXBMFYSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1C ZINC000353553485 456755227 /nfs/dbraw/zinc/75/52/27/456755227.db2.gz DWQCRXNTMHTONL-HNNXBMFYSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1C ZINC000353553485 456755237 /nfs/dbraw/zinc/75/52/37/456755237.db2.gz DWQCRXNTMHTONL-HNNXBMFYSA-N 2 2 348.443 3.483 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c(OC)n1 ZINC000353555193 456756143 /nfs/dbraw/zinc/75/61/43/456756143.db2.gz BSORMXAQLHHFRZ-CRAIPNDOSA-N 2 2 347.503 3.232 20 0 EGADLP CC[N@H+](CCCNC(=O)NC[C@@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000348571982 456771791 /nfs/dbraw/zinc/77/17/91/456771791.db2.gz VOWAJNLQTCQJOQ-IBGZPJMESA-N 2 2 346.519 3.077 20 0 EGADLP CC[N@@H+](CCCNC(=O)NC[C@@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000348571982 456771797 /nfs/dbraw/zinc/77/17/97/456771797.db2.gz VOWAJNLQTCQJOQ-IBGZPJMESA-N 2 2 346.519 3.077 20 0 EGADLP CC[NH+](CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000348571982 456771804 /nfs/dbraw/zinc/77/18/04/456771804.db2.gz VOWAJNLQTCQJOQ-IBGZPJMESA-N 2 2 346.519 3.077 20 0 EGADLP CC[NH+](CCCNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000348571982 456771811 /nfs/dbraw/zinc/77/18/11/456771811.db2.gz VOWAJNLQTCQJOQ-IBGZPJMESA-N 2 2 346.519 3.077 20 0 EGADLP CC[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000353572480 456773427 /nfs/dbraw/zinc/77/34/27/456773427.db2.gz SAOOEKNHCUCFDK-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000353572480 456773432 /nfs/dbraw/zinc/77/34/32/456773432.db2.gz SAOOEKNHCUCFDK-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP Cc1c[nH+]c(CN[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n1C ZINC000341007475 456808040 /nfs/dbraw/zinc/80/80/40/456808040.db2.gz KLLZKLGOYQBUEI-LJQANCHMSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1c[nH+]c(CN[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)n1C ZINC000341007475 456808050 /nfs/dbraw/zinc/80/80/50/456808050.db2.gz KLLZKLGOYQBUEI-LJQANCHMSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(-c2ccnn2C)c1 ZINC000338423195 456809680 /nfs/dbraw/zinc/80/96/80/456809680.db2.gz JFSGFIGESIZAOO-UHFFFAOYSA-N 2 2 345.450 3.376 20 0 EGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@@H](C)Cn2cccn2)[NH+](C)C)cc1 ZINC000348701999 456819612 /nfs/dbraw/zinc/81/96/12/456819612.db2.gz PZKDGMKVNIPKLX-PXNSSMCTSA-N 2 2 328.504 3.363 20 0 EGADLP COc1ccc(C[NH+]2CCC(CNc3cc(C)[nH+]cn3)CC2)cc1 ZINC000301251546 456834084 /nfs/dbraw/zinc/83/40/84/456834084.db2.gz PVSVVNZODHJNKB-UHFFFAOYSA-N 2 2 326.444 3.118 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353655797 456834417 /nfs/dbraw/zinc/83/44/17/456834417.db2.gz IJPDXIRSMFAQAU-MRXNPFEDSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353655797 456834418 /nfs/dbraw/zinc/83/44/18/456834418.db2.gz IJPDXIRSMFAQAU-MRXNPFEDSA-N 2 2 349.438 3.073 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662795 456840945 /nfs/dbraw/zinc/84/09/45/456840945.db2.gz RTPJZMMZBUUWKR-YJBOKZPZSA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662795 456840951 /nfs/dbraw/zinc/84/09/51/456840951.db2.gz RTPJZMMZBUUWKR-YJBOKZPZSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662795 456840954 /nfs/dbraw/zinc/84/09/54/456840954.db2.gz RTPJZMMZBUUWKR-YJBOKZPZSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662795 456840961 /nfs/dbraw/zinc/84/09/61/456840961.db2.gz RTPJZMMZBUUWKR-YJBOKZPZSA-N 2 2 330.451 3.316 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+]3C[C@H]4CCC[NH2+][C@H]4C3)cc2)cs1 ZINC000353682870 456851730 /nfs/dbraw/zinc/85/17/30/456851730.db2.gz DZENYRIZTYWDCD-APWZRJJASA-N 2 2 343.496 3.214 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+]3C[C@H]4CCC[NH2+][C@H]4C3)cc2)cs1 ZINC000353682870 456851733 /nfs/dbraw/zinc/85/17/33/456851733.db2.gz DZENYRIZTYWDCD-APWZRJJASA-N 2 2 343.496 3.214 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353704185 456862402 /nfs/dbraw/zinc/86/24/02/456862402.db2.gz ABRXNOTZENIABT-PXNSSMCTSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC000353704185 456862408 /nfs/dbraw/zinc/86/24/08/456862408.db2.gz ABRXNOTZENIABT-PXNSSMCTSA-N 2 2 332.451 3.209 20 0 EGADLP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512401 456871891 /nfs/dbraw/zinc/87/18/91/456871891.db2.gz SHXHJQJMYZDLKO-WIYYLYMNSA-N 2 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341513101 456871926 /nfs/dbraw/zinc/87/19/26/456871926.db2.gz UFLPFDFLDQAKRX-RTBURBONSA-N 3 2 344.547 3.004 20 0 EGADLP c1cn(Cc2ccc(N[C@@H]3Cc4[nH]c5ccccc5c4C3)[nH+]c2)c[nH+]1 ZINC000348830775 456875305 /nfs/dbraw/zinc/87/53/05/456875305.db2.gz DJIJOVCBTRGPGO-HNNXBMFYSA-N 2 2 329.407 3.387 20 0 EGADLP c1cnc2sc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671374 456892705 /nfs/dbraw/zinc/89/27/05/456892705.db2.gz FGPCRYIUHNHLSN-CJNGLKHVSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671374 456892710 /nfs/dbraw/zinc/89/27/10/456892710.db2.gz FGPCRYIUHNHLSN-CJNGLKHVSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000341671374 456892715 /nfs/dbraw/zinc/89/27/15/456892715.db2.gz FGPCRYIUHNHLSN-CJNGLKHVSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000341671374 456892722 /nfs/dbraw/zinc/89/27/22/456892722.db2.gz FGPCRYIUHNHLSN-CJNGLKHVSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671376 456892974 /nfs/dbraw/zinc/89/29/74/456892974.db2.gz FGPCRYIUHNHLSN-XJKSGUPXSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671376 456892978 /nfs/dbraw/zinc/89/29/78/456892978.db2.gz FGPCRYIUHNHLSN-XJKSGUPXSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000341671376 456892982 /nfs/dbraw/zinc/89/29/82/456892982.db2.gz FGPCRYIUHNHLSN-XJKSGUPXSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000341671376 456892987 /nfs/dbraw/zinc/89/29/87/456892987.db2.gz FGPCRYIUHNHLSN-XJKSGUPXSA-N 2 2 328.485 3.140 20 0 EGADLP COc1ccc2nc(C[NH2+]CCCNc3cccc[nH+]3)sc2c1 ZINC000353758340 456894074 /nfs/dbraw/zinc/89/40/74/456894074.db2.gz KQHFRENFQFBUAR-UHFFFAOYSA-N 2 2 328.441 3.292 20 0 EGADLP COC(=O)C(C)(C)CC[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000349270877 456928107 /nfs/dbraw/zinc/92/81/07/456928107.db2.gz ASJULXZXYHHCMV-UHFFFAOYSA-N 2 2 332.488 3.172 20 0 EGADLP COC(=O)C(C)(C)CC[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000349270877 456928111 /nfs/dbraw/zinc/92/81/11/456928111.db2.gz ASJULXZXYHHCMV-UHFFFAOYSA-N 2 2 332.488 3.172 20 0 EGADLP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349276598 456928797 /nfs/dbraw/zinc/92/87/97/456928797.db2.gz KGWLCLYKLGDTIM-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000349276598 456928802 /nfs/dbraw/zinc/92/88/02/456928802.db2.gz KGWLCLYKLGDTIM-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP Cc1cccc(C[NH+]2CCN(Cc3c[nH+]c4cccc(C)n34)CC2)c1 ZINC000349616851 456996525 /nfs/dbraw/zinc/99/65/25/456996525.db2.gz MZHLNNKWYBEXBV-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Cl)c1 ZINC000330214159 457004897 /nfs/dbraw/zinc/00/48/97/457004897.db2.gz FXRSCIFVIIUNPR-MRXNPFEDSA-N 2 2 344.846 3.048 20 0 EGADLP Cc1csc([C@@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000349682752 457015274 /nfs/dbraw/zinc/01/52/74/457015274.db2.gz DLRNWAVIAVGQAW-AWEZNQCLSA-N 2 2 330.501 3.204 20 0 EGADLP Cc1cc(N(C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663359 457032776 /nfs/dbraw/zinc/03/27/76/457032776.db2.gz LFRJCKYWAYNCMF-IEBWSBKVSA-N 2 2 339.487 3.433 20 0 EGADLP Cc1cc(N(C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663359 457032782 /nfs/dbraw/zinc/03/27/82/457032782.db2.gz LFRJCKYWAYNCMF-IEBWSBKVSA-N 2 2 339.487 3.433 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1CCCc2nn(C)cc21)[N@H+]1CCc2ccccc2C1 ZINC000358911943 457034291 /nfs/dbraw/zinc/03/42/91/457034291.db2.gz DSWHDJORVMBUOT-UYAOXDASSA-N 2 2 338.499 3.224 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)cn2c1 ZINC000341980586 457039826 /nfs/dbraw/zinc/03/98/26/457039826.db2.gz ALXHQTPHVZBAIV-HXUWFJFHSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)[C@H](Cc4ccccc4)C3)cn2c1 ZINC000341980586 457039831 /nfs/dbraw/zinc/03/98/31/457039831.db2.gz ALXHQTPHVZBAIV-HXUWFJFHSA-N 2 2 334.467 3.001 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000354097748 457060953 /nfs/dbraw/zinc/06/09/53/457060953.db2.gz SDUMGSGCASFWHL-MRXNPFEDSA-N 2 2 349.500 3.336 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000354097748 457060958 /nfs/dbraw/zinc/06/09/58/457060958.db2.gz SDUMGSGCASFWHL-MRXNPFEDSA-N 2 2 349.500 3.336 20 0 EGADLP C[NH+](C)Cc1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cc1 ZINC000342025586 457066672 /nfs/dbraw/zinc/06/66/72/457066672.db2.gz NLZBGJUVQKFLJS-UHFFFAOYSA-N 2 2 334.423 3.068 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)ccc1OCCO ZINC000354134284 457087055 /nfs/dbraw/zinc/08/70/55/457087055.db2.gz QXGUOXKHZPBMHW-INIZCTEOSA-N 2 2 344.455 3.053 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000342066583 457087822 /nfs/dbraw/zinc/08/78/22/457087822.db2.gz UWPUZFDQYFTXLW-IAGOWNOFSA-N 2 2 341.503 3.033 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000354174750 457110248 /nfs/dbraw/zinc/11/02/48/457110248.db2.gz YFFRVFWGBLXTNE-GOSISDBHSA-N 2 2 342.487 3.057 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000339428169 457111328 /nfs/dbraw/zinc/11/13/28/457111328.db2.gz NWHVUCXRCVATJH-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000339428169 457111336 /nfs/dbraw/zinc/11/13/36/457111336.db2.gz NWHVUCXRCVATJH-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000339428169 457111341 /nfs/dbraw/zinc/11/13/41/457111341.db2.gz NWHVUCXRCVATJH-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000339428169 457111345 /nfs/dbraw/zinc/11/13/45/457111345.db2.gz NWHVUCXRCVATJH-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000346698063 457117915 /nfs/dbraw/zinc/11/79/15/457117915.db2.gz JAUBFRAKWPZRHF-JFIYKMOQSA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000346698063 457117916 /nfs/dbraw/zinc/11/79/16/457117916.db2.gz JAUBFRAKWPZRHF-JFIYKMOQSA-N 2 2 332.488 3.359 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203310 457128632 /nfs/dbraw/zinc/12/86/32/457128632.db2.gz AZCYKRUMCGFEJL-UYAOXDASSA-N 2 2 345.531 3.228 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203310 457128637 /nfs/dbraw/zinc/12/86/37/457128637.db2.gz AZCYKRUMCGFEJL-UYAOXDASSA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203310 457128641 /nfs/dbraw/zinc/12/86/41/457128641.db2.gz AZCYKRUMCGFEJL-UYAOXDASSA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203310 457128646 /nfs/dbraw/zinc/12/86/46/457128646.db2.gz AZCYKRUMCGFEJL-UYAOXDASSA-N 2 2 345.531 3.228 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000350066067 457159819 /nfs/dbraw/zinc/15/98/19/457159819.db2.gz CVXPXLGSVRCUNR-FXAWDEMLSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000350066067 457159823 /nfs/dbraw/zinc/15/98/23/457159823.db2.gz CVXPXLGSVRCUNR-FXAWDEMLSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000350066067 457159827 /nfs/dbraw/zinc/15/98/27/457159827.db2.gz CVXPXLGSVRCUNR-FXAWDEMLSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000350066067 457159830 /nfs/dbraw/zinc/15/98/30/457159830.db2.gz CVXPXLGSVRCUNR-FXAWDEMLSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1cc(N2CC[N@@H+](CC)[C@@H](c3ncc[nH]3)C2)c2ccccc2[nH+]1 ZINC000359992243 457191608 /nfs/dbraw/zinc/19/16/08/457191608.db2.gz JGSLUWOJCCJZLR-LJQANCHMSA-N 2 2 335.455 3.404 20 0 EGADLP CCc1cc(N2CC[N@H+](CC)[C@@H](c3ncc[nH]3)C2)c2ccccc2[nH+]1 ZINC000359992243 457191610 /nfs/dbraw/zinc/19/16/10/457191610.db2.gz JGSLUWOJCCJZLR-LJQANCHMSA-N 2 2 335.455 3.404 20 0 EGADLP CCc1cc(N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2[nH+]1 ZINC000359992243 457191617 /nfs/dbraw/zinc/19/16/17/457191617.db2.gz JGSLUWOJCCJZLR-LJQANCHMSA-N 2 2 335.455 3.404 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCc3sccc3C2)c(C)[nH+]1 ZINC000331519598 457199249 /nfs/dbraw/zinc/19/92/49/457199249.db2.gz NGBLIWJGHMYMQV-UHFFFAOYSA-N 2 2 344.484 3.248 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@H+]2CCc3sccc3C2)c(C)[nH+]1 ZINC000331519598 457199257 /nfs/dbraw/zinc/19/92/57/457199257.db2.gz NGBLIWJGHMYMQV-UHFFFAOYSA-N 2 2 344.484 3.248 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342301062 457223464 /nfs/dbraw/zinc/22/34/64/457223464.db2.gz BLLZKGKAWMIJIK-FXAWDEMLSA-N 2 2 326.488 3.292 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000342301062 457223470 /nfs/dbraw/zinc/22/34/70/457223470.db2.gz BLLZKGKAWMIJIK-FXAWDEMLSA-N 2 2 326.488 3.292 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000360047590 457224395 /nfs/dbraw/zinc/22/43/95/457224395.db2.gz XAJOUGZDMSVMDV-RDTXWAMCSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000360047590 457224401 /nfs/dbraw/zinc/22/44/01/457224401.db2.gz XAJOUGZDMSVMDV-RDTXWAMCSA-N 2 2 329.419 3.443 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047761 457224823 /nfs/dbraw/zinc/22/48/23/457224823.db2.gz YNXYKQBXZMOUMU-AAEUAGOBSA-N 2 2 326.387 3.184 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047761 457224830 /nfs/dbraw/zinc/22/48/30/457224830.db2.gz YNXYKQBXZMOUMU-AAEUAGOBSA-N 2 2 326.387 3.184 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c[nH+]1 ZINC000354468289 457243571 /nfs/dbraw/zinc/24/35/71/457243571.db2.gz SXZZYAMNRAEWBR-NJYVYQBISA-N 2 2 349.478 3.069 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000356976634 457253998 /nfs/dbraw/zinc/25/39/98/457253998.db2.gz IWGZCWBOXBSGTL-GOSISDBHSA-N 2 2 339.418 3.135 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472648 457298062 /nfs/dbraw/zinc/29/80/62/457298062.db2.gz BFUPLXNKBWCQOI-SHPPOPEUSA-N 2 2 346.862 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472648 457298065 /nfs/dbraw/zinc/29/80/65/457298065.db2.gz BFUPLXNKBWCQOI-SHPPOPEUSA-N 2 2 346.862 3.044 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000357053897 457299802 /nfs/dbraw/zinc/29/98/02/457299802.db2.gz HGJFQZDCOFLVDK-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP c1nc(N2CCC(CCC[NH+]3CCCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000340021274 457320748 /nfs/dbraw/zinc/32/07/48/457320748.db2.gz WXZGGJNTFQCKGK-UHFFFAOYSA-N 2 2 343.519 3.391 20 0 EGADLP c1nc(NCC2CC2)cc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000340021274 457320752 /nfs/dbraw/zinc/32/07/52/457320752.db2.gz WXZGGJNTFQCKGK-UHFFFAOYSA-N 2 2 343.519 3.391 20 0 EGADLP C[NH+](Cc1cc(Br)ccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000342547683 457360692 /nfs/dbraw/zinc/36/06/92/457360692.db2.gz KRARXCPQQVJPSF-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[C@H](c1c(F)cccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355032262 457338830 /nfs/dbraw/zinc/33/88/30/457338830.db2.gz OZLSDQQBJZDTOC-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1c(F)cccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355032262 457338834 /nfs/dbraw/zinc/33/88/34/457338834.db2.gz OZLSDQQBJZDTOC-LSDHHAIUSA-N 2 2 337.458 3.126 20 0 EGADLP C[NH+](Cc1cc(Br)ccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000342547683 457360691 /nfs/dbraw/zinc/36/06/91/457360691.db2.gz KRARXCPQQVJPSF-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000342547683 457360684 /nfs/dbraw/zinc/36/06/84/457360684.db2.gz KRARXCPQQVJPSF-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000342547683 457360688 /nfs/dbraw/zinc/36/06/88/457360688.db2.gz KRARXCPQQVJPSF-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000363671322 457407787 /nfs/dbraw/zinc/40/77/87/457407787.db2.gz KZCVIGHMIHWOHY-QZTJIDSGSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000363671322 457407793 /nfs/dbraw/zinc/40/77/93/457407793.db2.gz KZCVIGHMIHWOHY-QZTJIDSGSA-N 2 2 343.515 3.121 20 0 EGADLP COc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000379650958 457416160 /nfs/dbraw/zinc/41/61/60/457416160.db2.gz TUKIHFNLGYSFEP-ZBFHGGJFSA-N 2 2 331.485 3.294 20 0 EGADLP COc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000379650958 457416163 /nfs/dbraw/zinc/41/61/63/457416163.db2.gz TUKIHFNLGYSFEP-ZBFHGGJFSA-N 2 2 331.485 3.294 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1C ZINC000360943336 457450806 /nfs/dbraw/zinc/45/08/06/457450806.db2.gz IXZOXDSBIURGQX-XJKSGUPXSA-N 2 2 326.444 3.158 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C ZINC000360943336 457450810 /nfs/dbraw/zinc/45/08/10/457450810.db2.gz IXZOXDSBIURGQX-XJKSGUPXSA-N 2 2 326.444 3.158 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000352545897 457456627 /nfs/dbraw/zinc/45/66/27/457456627.db2.gz NBJJCHTXOJYJNM-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000352545897 457456633 /nfs/dbraw/zinc/45/66/33/457456633.db2.gz NBJJCHTXOJYJNM-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC000397322161 457485867 /nfs/dbraw/zinc/48/58/67/457485867.db2.gz NJKDJDKCMBPJHO-QEJZJMRPSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC000397322161 457485870 /nfs/dbraw/zinc/48/58/70/457485870.db2.gz NJKDJDKCMBPJHO-QEJZJMRPSA-N 2 2 337.895 3.201 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400369116 457512946 /nfs/dbraw/zinc/51/29/46/457512946.db2.gz GJGFXOHVGAIILC-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP COc1ccccc1OCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361044964 457539451 /nfs/dbraw/zinc/53/94/51/457539451.db2.gz JZZCBYLPEMPIHH-UHFFFAOYSA-N 2 2 343.471 3.463 20 0 EGADLP CCc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000352711468 457550469 /nfs/dbraw/zinc/55/04/69/457550469.db2.gz MWROOTHPNXHUQG-OAQYLSRUSA-N 2 2 339.483 3.025 20 0 EGADLP CCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000352711468 457550473 /nfs/dbraw/zinc/55/04/73/457550473.db2.gz MWROOTHPNXHUQG-OAQYLSRUSA-N 2 2 339.483 3.025 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000361063203 457556518 /nfs/dbraw/zinc/55/65/18/457556518.db2.gz OWFNRAIFIBMPEV-UHFFFAOYSA-N 2 2 345.443 3.345 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374279595 457563594 /nfs/dbraw/zinc/56/35/94/457563594.db2.gz KXSPBCTXIWBLBG-NRFANRHFSA-N 3 2 338.499 3.149 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374279595 457563603 /nfs/dbraw/zinc/56/36/03/457563603.db2.gz KXSPBCTXIWBLBG-NRFANRHFSA-N 3 2 338.499 3.149 20 0 EGADLP CC(C)(C)c1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361086630 457573776 /nfs/dbraw/zinc/57/37/76/457573776.db2.gz JPVVREBSEKYGKA-UHFFFAOYSA-N 2 2 331.464 3.256 20 0 EGADLP Cc1[nH+]ccn1CCCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425498820 457577355 /nfs/dbraw/zinc/57/73/55/457577355.db2.gz HJCNCHTZSXKUNY-LEWJYISDSA-N 2 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425498820 457577357 /nfs/dbraw/zinc/57/73/57/457577357.db2.gz HJCNCHTZSXKUNY-LEWJYISDSA-N 2 2 338.499 3.178 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000361276766 457676364 /nfs/dbraw/zinc/67/63/64/457676364.db2.gz MCWDVKRAUCMIEL-MRXNPFEDSA-N 2 2 348.535 3.193 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000361276766 457676367 /nfs/dbraw/zinc/67/63/67/457676367.db2.gz MCWDVKRAUCMIEL-MRXNPFEDSA-N 2 2 348.535 3.193 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000370598486 457679901 /nfs/dbraw/zinc/67/99/01/457679901.db2.gz SEFQVZSQHOBNPT-LLVKDONJSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000370598486 457679906 /nfs/dbraw/zinc/67/99/06/457679906.db2.gz SEFQVZSQHOBNPT-LLVKDONJSA-N 2 2 338.224 3.311 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2ccccc2o1 ZINC000361345551 457700613 /nfs/dbraw/zinc/70/06/13/457700613.db2.gz JEVSEYNALYHXPA-OAHLLOKOSA-N 2 2 343.471 3.026 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000361373150 457709768 /nfs/dbraw/zinc/70/97/68/457709768.db2.gz ARNPYFDYGXKVSI-VOIUYBSRSA-N 2 2 347.528 3.358 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000361373150 457709769 /nfs/dbraw/zinc/70/97/69/457709769.db2.gz ARNPYFDYGXKVSI-VOIUYBSRSA-N 2 2 347.528 3.358 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357860441 457715218 /nfs/dbraw/zinc/71/52/18/457715218.db2.gz XGHZWSRHFJWDOO-ICSRJNTNSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357860441 457715223 /nfs/dbraw/zinc/71/52/23/457715223.db2.gz XGHZWSRHFJWDOO-ICSRJNTNSA-N 3 2 344.547 3.004 20 0 EGADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361431984 457730391 /nfs/dbraw/zinc/73/03/91/457730391.db2.gz HXPBFCJCNWOTPK-OAHLLOKOSA-N 2 2 335.458 3.113 20 0 EGADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361431984 457730394 /nfs/dbraw/zinc/73/03/94/457730394.db2.gz HXPBFCJCNWOTPK-OAHLLOKOSA-N 2 2 335.458 3.113 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001076 457736023 /nfs/dbraw/zinc/73/60/23/457736023.db2.gz DAFJRBWNILEEFO-UZLBHIALSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001076 457736027 /nfs/dbraw/zinc/73/60/27/457736027.db2.gz DAFJRBWNILEEFO-UZLBHIALSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000361456119 457737995 /nfs/dbraw/zinc/73/79/95/457737995.db2.gz IBBMEYCLQOZCPM-OAHLLOKOSA-N 3 2 335.458 3.257 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000361458797 457738725 /nfs/dbraw/zinc/73/87/25/457738725.db2.gz IDZOCTSBSBPHTF-AWEZNQCLSA-N 2 2 332.341 3.266 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000358021339 457742312 /nfs/dbraw/zinc/74/23/12/457742312.db2.gz NKHTUCJRNOWLAH-NSISKUIASA-N 2 2 337.467 3.439 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000358021339 457742314 /nfs/dbraw/zinc/74/23/14/457742314.db2.gz NKHTUCJRNOWLAH-NSISKUIASA-N 2 2 337.467 3.439 20 0 EGADLP C[N@H+](Cc1ccccc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957423 457747028 /nfs/dbraw/zinc/74/70/28/457747028.db2.gz IFKZPKILKSUHES-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[N@@H+](Cc1ccccc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957423 457747032 /nfs/dbraw/zinc/74/70/32/457747032.db2.gz IFKZPKILKSUHES-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1ccccc1Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425957423 457747036 /nfs/dbraw/zinc/74/70/36/457747036.db2.gz IFKZPKILKSUHES-HXUWFJFHSA-N 2 2 344.886 3.409 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358043944 457749302 /nfs/dbraw/zinc/74/93/02/457749302.db2.gz XFZRHKNPOMUAJT-INIZCTEOSA-N 2 2 337.423 3.094 20 0 EGADLP C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358161009 457824437 /nfs/dbraw/zinc/82/44/37/457824437.db2.gz QQTOSYHNRUCLRM-IFXJQAMLSA-N 2 2 325.387 3.396 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1Cl ZINC000444000518 457837313 /nfs/dbraw/zinc/83/73/13/457837313.db2.gz GVOXYIKSGJZLDQ-RBUKOAKNSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1Cl ZINC000444000518 457837318 /nfs/dbraw/zinc/83/73/18/457837318.db2.gz GVOXYIKSGJZLDQ-RBUKOAKNSA-N 2 2 344.886 3.373 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300337 457854238 /nfs/dbraw/zinc/85/42/38/457854238.db2.gz OKXQFQHIIQWUJE-LZLYRXPVSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300337 457854242 /nfs/dbraw/zinc/85/42/42/457854242.db2.gz OKXQFQHIIQWUJE-LZLYRXPVSA-N 2 2 338.879 3.032 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301180 457854680 /nfs/dbraw/zinc/85/46/80/457854680.db2.gz SPIZRRALZUHLPA-IKGGRYGDSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301180 457854685 /nfs/dbraw/zinc/85/46/85/457854685.db2.gz SPIZRRALZUHLPA-IKGGRYGDSA-N 2 2 342.405 3.389 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444169806 457862927 /nfs/dbraw/zinc/86/29/27/457862927.db2.gz SMWCUYPBTJSPAB-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444169806 457862932 /nfs/dbraw/zinc/86/29/32/457862932.db2.gz SMWCUYPBTJSPAB-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000444169806 457862939 /nfs/dbraw/zinc/86/29/39/457862939.db2.gz SMWCUYPBTJSPAB-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000444169806 457862947 /nfs/dbraw/zinc/86/29/47/457862947.db2.gz SMWCUYPBTJSPAB-WMLDXEAASA-N 2 2 337.895 3.473 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000358263055 457896033 /nfs/dbraw/zinc/89/60/33/457896033.db2.gz ZRHYUNWJMRYHFE-AWEZNQCLSA-N 2 2 327.428 3.250 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2F)[C@@H](C)C1 ZINC000358291290 457914223 /nfs/dbraw/zinc/91/42/23/457914223.db2.gz TWNHMTHIIOMNQI-HNAYVOBHSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2F)[C@@H](C)C1 ZINC000358291290 457914227 /nfs/dbraw/zinc/91/42/27/457914227.db2.gz TWNHMTHIIOMNQI-HNAYVOBHSA-N 2 2 338.467 3.061 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(C(=O)OC)c1 ZINC000411632435 457934050 /nfs/dbraw/zinc/93/40/50/457934050.db2.gz PQRSCMMAHQOTJT-UHFFFAOYSA-N 2 2 335.473 3.206 20 0 EGADLP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444677899 457937099 /nfs/dbraw/zinc/93/70/99/457937099.db2.gz WYLNPOKBZUBUSH-DLBZAZTESA-N 2 2 339.487 3.010 20 0 EGADLP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000444677899 457937102 /nfs/dbraw/zinc/93/71/02/457937102.db2.gz WYLNPOKBZUBUSH-DLBZAZTESA-N 2 2 339.487 3.010 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@@]1=O ZINC000411642686 457937961 /nfs/dbraw/zinc/93/79/61/457937961.db2.gz ZDKNMRJSUWEYDR-HXOBKFHXSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@@]1=O ZINC000411642686 457937968 /nfs/dbraw/zinc/93/79/68/457937968.db2.gz ZDKNMRJSUWEYDR-HXOBKFHXSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343729 457946527 /nfs/dbraw/zinc/94/65/27/457946527.db2.gz UCPOGQYRHICQCI-JXFKEZNVSA-N 2 2 334.467 3.216 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343729 457946532 /nfs/dbraw/zinc/94/65/32/457946532.db2.gz UCPOGQYRHICQCI-JXFKEZNVSA-N 2 2 334.467 3.216 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468810 457947826 /nfs/dbraw/zinc/94/78/26/457947826.db2.gz BJESEUPUMTXLOJ-XYPHTWIQSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468810 457947830 /nfs/dbraw/zinc/94/78/30/457947830.db2.gz BJESEUPUMTXLOJ-XYPHTWIQSA-N 2 2 326.843 3.163 20 0 EGADLP CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1[nH]cc[nH+]1 ZINC000427195570 457956800 /nfs/dbraw/zinc/95/68/00/457956800.db2.gz ALHJKKTZRFYZNT-KRWDZBQOSA-N 2 2 326.444 3.277 20 0 EGADLP CC1(C)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@@]1=O ZINC000411798948 457981363 /nfs/dbraw/zinc/98/13/63/457981363.db2.gz VPJOWOXWQKJEPL-DEOSSOPVSA-N 2 2 348.556 3.406 20 0 EGADLP CC1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[S@@]1=O ZINC000411798948 457981372 /nfs/dbraw/zinc/98/13/72/457981372.db2.gz VPJOWOXWQKJEPL-DEOSSOPVSA-N 2 2 348.556 3.406 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458299125 458004476 /nfs/dbraw/zinc/00/44/76/458004476.db2.gz ZXPPJJFDDRQPGF-FQEVSTJZSA-N 2 2 337.467 3.270 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458299125 458004482 /nfs/dbraw/zinc/00/44/82/458004482.db2.gz ZXPPJJFDDRQPGF-FQEVSTJZSA-N 2 2 337.467 3.270 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cncc(F)c2)CC1 ZINC000434645208 458028016 /nfs/dbraw/zinc/02/80/16/458028016.db2.gz YJFFGDXKQJCMBK-LJQANCHMSA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC000434645208 458028020 /nfs/dbraw/zinc/02/80/20/458028020.db2.gz YJFFGDXKQJCMBK-LJQANCHMSA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC000434645208 458028027 /nfs/dbraw/zinc/02/80/27/458028027.db2.gz YJFFGDXKQJCMBK-LJQANCHMSA-N 2 2 328.435 3.102 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434747145 458044486 /nfs/dbraw/zinc/04/44/86/458044486.db2.gz LDJKDANUIZSGRO-QGZVFWFLSA-N 2 2 333.476 3.131 20 0 EGADLP Cc1nc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)sc1C ZINC000434744974 458044877 /nfs/dbraw/zinc/04/48/77/458044877.db2.gz ILLYICJJCROIOL-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)sc1C ZINC000434744974 458044882 /nfs/dbraw/zinc/04/48/82/458044882.db2.gz ILLYICJJCROIOL-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)sc1C ZINC000434744974 458044885 /nfs/dbraw/zinc/04/48/85/458044885.db2.gz ILLYICJJCROIOL-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP Cc1nc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)sc1C ZINC000434744974 458044892 /nfs/dbraw/zinc/04/48/92/458044892.db2.gz ILLYICJJCROIOL-WMZOPIPTSA-N 2 2 330.501 3.280 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OC(F)F ZINC000427877445 458046248 /nfs/dbraw/zinc/04/62/48/458046248.db2.gz OGVCQISTBIWYJY-WCQYABFASA-N 2 2 337.370 3.159 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C[C@H](C)O1 ZINC000375800595 458070663 /nfs/dbraw/zinc/07/06/63/458070663.db2.gz BYUVHTYFYVGNDQ-SOLBZPMBSA-N 2 2 334.508 3.120 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C[C@H](C)O1 ZINC000375800595 458070668 /nfs/dbraw/zinc/07/06/68/458070668.db2.gz BYUVHTYFYVGNDQ-SOLBZPMBSA-N 2 2 334.508 3.120 20 0 EGADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N(C)Cc1[nH]cc[nH+]1 ZINC000428128637 458083944 /nfs/dbraw/zinc/08/39/44/458083944.db2.gz CENLFULFRQWZMS-UHFFFAOYSA-N 2 2 338.411 3.388 20 0 EGADLP C[C@H]1C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@H]1[NH3+] ZINC000435372338 458121527 /nfs/dbraw/zinc/12/15/27/458121527.db2.gz JONCGJOPHLCGBO-SMDDNHRTSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@H]1[NH3+] ZINC000435372338 458121536 /nfs/dbraw/zinc/12/15/36/458121536.db2.gz JONCGJOPHLCGBO-SMDDNHRTSA-N 2 2 349.276 3.008 20 0 EGADLP O=C(NCc1ccn2cc[nH+]c2c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412195269 458123981 /nfs/dbraw/zinc/12/39/81/458123981.db2.gz RLVWOLVAJXMWJT-UHFFFAOYSA-N 2 2 348.450 3.250 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435381672 458130116 /nfs/dbraw/zinc/13/01/16/458130116.db2.gz VGZSYFALBLYIPH-QGTPRVQTSA-N 2 2 343.496 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435381672 458130122 /nfs/dbraw/zinc/13/01/22/458130122.db2.gz VGZSYFALBLYIPH-QGTPRVQTSA-N 2 2 343.496 3.200 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000376042035 458174319 /nfs/dbraw/zinc/17/43/19/458174319.db2.gz JORDHAAMUMBUFG-HNNXBMFYSA-N 2 2 339.418 3.329 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000376042035 458174326 /nfs/dbraw/zinc/17/43/26/458174326.db2.gz JORDHAAMUMBUFG-HNNXBMFYSA-N 2 2 339.418 3.329 20 0 EGADLP CCN(C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435619401 458174668 /nfs/dbraw/zinc/17/46/68/458174668.db2.gz YAXDDMRVCLWTKP-GOSISDBHSA-N 2 2 339.483 3.267 20 0 EGADLP CCN(C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435619401 458174673 /nfs/dbraw/zinc/17/46/73/458174673.db2.gz YAXDDMRVCLWTKP-GOSISDBHSA-N 2 2 339.483 3.267 20 0 EGADLP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435628404 458176454 /nfs/dbraw/zinc/17/64/54/458176454.db2.gz QPFWRPFHDZGSLF-LBPRGKRZSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435628404 458176456 /nfs/dbraw/zinc/17/64/56/458176456.db2.gz QPFWRPFHDZGSLF-LBPRGKRZSA-N 2 2 344.286 3.396 20 0 EGADLP CC(C)CCOCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688764 458185741 /nfs/dbraw/zinc/18/57/41/458185741.db2.gz SOCMPDHCYJCZME-MRXNPFEDSA-N 2 2 337.533 3.150 20 0 EGADLP CC(C)CCOCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688764 458185745 /nfs/dbraw/zinc/18/57/45/458185745.db2.gz SOCMPDHCYJCZME-MRXNPFEDSA-N 2 2 337.533 3.150 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC4(CCC[N@H+]4C)CC3)c2cc1C ZINC000369382634 458198367 /nfs/dbraw/zinc/19/83/67/458198367.db2.gz CWMVAPGCPPYWQR-UHFFFAOYSA-N 2 2 340.467 3.470 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)c2cc1C ZINC000369382634 458198372 /nfs/dbraw/zinc/19/83/72/458198372.db2.gz CWMVAPGCPPYWQR-UHFFFAOYSA-N 2 2 340.467 3.470 20 0 EGADLP COC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000376147562 458212950 /nfs/dbraw/zinc/21/29/50/458212950.db2.gz CIHHAWKJLRYHRL-KRWDZBQOSA-N 2 2 335.398 3.017 20 0 EGADLP CCc1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428962959 458242156 /nfs/dbraw/zinc/24/21/56/458242156.db2.gz CYGFRDXAAZNKAO-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP CCc1nc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428962959 458242164 /nfs/dbraw/zinc/24/21/64/458242164.db2.gz CYGFRDXAAZNKAO-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP CCc1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428962959 458242172 /nfs/dbraw/zinc/24/21/72/458242172.db2.gz CYGFRDXAAZNKAO-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP CCc1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000428962959 458242176 /nfs/dbraw/zinc/24/21/76/458242176.db2.gz CYGFRDXAAZNKAO-HDICACEKSA-N 2 2 325.456 3.109 20 0 EGADLP CCCCc1noc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369513201 458244279 /nfs/dbraw/zinc/24/42/79/458244279.db2.gz XLPXLYDJHNDIJX-HNNXBMFYSA-N 2 2 329.448 3.192 20 0 EGADLP CCCCc1noc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369513201 458244284 /nfs/dbraw/zinc/24/42/84/458244284.db2.gz XLPXLYDJHNDIJX-HNNXBMFYSA-N 2 2 329.448 3.192 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459089771 458263907 /nfs/dbraw/zinc/26/39/07/458263907.db2.gz YXPQBGMZBNKSBG-IEBWSBKVSA-N 2 2 346.519 3.398 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000376426756 458297478 /nfs/dbraw/zinc/29/74/78/458297478.db2.gz LULJQTXBGWLNOG-AWEZNQCLSA-N 2 2 346.862 3.282 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469520 458309738 /nfs/dbraw/zinc/30/97/38/458309738.db2.gz RZGRJFQIAUEARU-PXNSSMCTSA-N 3 2 327.516 3.286 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469520 458309744 /nfs/dbraw/zinc/30/97/44/458309744.db2.gz RZGRJFQIAUEARU-PXNSSMCTSA-N 3 2 327.516 3.286 20 0 EGADLP Oc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Br ZINC000459355442 458341065 /nfs/dbraw/zinc/34/10/65/458341065.db2.gz MZLCHOBFTXKQCD-CQSZACIVSA-N 2 2 349.228 3.203 20 0 EGADLP Oc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1Br ZINC000459355442 458341069 /nfs/dbraw/zinc/34/10/69/458341069.db2.gz MZLCHOBFTXKQCD-CQSZACIVSA-N 2 2 349.228 3.203 20 0 EGADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000376676750 458366737 /nfs/dbraw/zinc/36/67/37/458366737.db2.gz AIHSTOKNQLQDRQ-OAQYLSRUSA-N 2 2 337.467 3.419 20 0 EGADLP CCOc1c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)nn1CC(C)C ZINC000373016684 458377263 /nfs/dbraw/zinc/37/72/63/458377263.db2.gz XJQNEZQVYAGXJD-QGZVFWFLSA-N 2 2 336.524 3.162 20 0 EGADLP CCOc1c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)nn1CC(C)C ZINC000373016684 458377268 /nfs/dbraw/zinc/37/72/68/458377268.db2.gz XJQNEZQVYAGXJD-QGZVFWFLSA-N 2 2 336.524 3.162 20 0 EGADLP Fc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Br ZINC000376729741 458378451 /nfs/dbraw/zinc/37/84/51/458378451.db2.gz SCZQUOHAJFYQKM-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448032504 458381271 /nfs/dbraw/zinc/38/12/71/458381271.db2.gz WUVRSMIGDUBAAG-YJBOKZPZSA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448032504 458381276 /nfs/dbraw/zinc/38/12/76/458381276.db2.gz WUVRSMIGDUBAAG-YJBOKZPZSA-N 2 2 347.503 3.122 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828740 458399422 /nfs/dbraw/zinc/39/94/22/458399422.db2.gz QAGLPLGTBYFARA-OALUTQOASA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000376828740 458399423 /nfs/dbraw/zinc/39/94/23/458399423.db2.gz QAGLPLGTBYFARA-OALUTQOASA-N 2 2 326.488 3.373 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376858777 458408817 /nfs/dbraw/zinc/40/88/17/458408817.db2.gz WNHSKTCOMQOGCQ-SFHVURJKSA-N 2 2 341.846 3.438 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000376858777 458408821 /nfs/dbraw/zinc/40/88/21/458408821.db2.gz WNHSKTCOMQOGCQ-SFHVURJKSA-N 2 2 341.846 3.438 20 0 EGADLP COC(=O)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cc(C)cc(C)c1 ZINC000459614718 458428252 /nfs/dbraw/zinc/42/82/52/458428252.db2.gz WODMCFDQZHJVNR-SFHVURJKSA-N 2 2 329.444 3.092 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1Cl ZINC000423446321 458434515 /nfs/dbraw/zinc/43/45/15/458434515.db2.gz YMXCWPQXCGAKNC-WVWOOGAGSA-N 2 2 329.669 3.361 20 0 EGADLP CC[C@H](C)[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000423580634 458459681 /nfs/dbraw/zinc/45/96/81/458459681.db2.gz SSOAVGZXIUPMLJ-BBWFWOEESA-N 2 2 346.519 3.056 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000430567968 458461878 /nfs/dbraw/zinc/46/18/78/458461878.db2.gz BSIZHQNKZSLQCK-GRDNDAEWSA-N 2 2 337.533 3.011 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000430567968 458461881 /nfs/dbraw/zinc/46/18/81/458461881.db2.gz BSIZHQNKZSLQCK-GRDNDAEWSA-N 2 2 337.533 3.011 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594821 458469288 /nfs/dbraw/zinc/46/92/88/458469288.db2.gz WEWVPTPMEFUDLX-SMDDNHRTSA-N 2 2 329.847 3.111 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599412 458468803 /nfs/dbraw/zinc/46/88/03/458468803.db2.gz QEJCAPVZSWMGEY-TZMCWYRMSA-N 2 2 345.468 3.098 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000430599412 458468808 /nfs/dbraw/zinc/46/88/08/458468808.db2.gz QEJCAPVZSWMGEY-TZMCWYRMSA-N 2 2 345.468 3.098 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594821 458469284 /nfs/dbraw/zinc/46/92/84/458469284.db2.gz WEWVPTPMEFUDLX-SMDDNHRTSA-N 2 2 329.847 3.111 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612410 458471847 /nfs/dbraw/zinc/47/18/47/458471847.db2.gz RFECRGVXQYCDMA-KBPBESRZSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612410 458471850 /nfs/dbraw/zinc/47/18/50/458471850.db2.gz RFECRGVXQYCDMA-KBPBESRZSA-N 2 2 332.423 3.177 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccnn1-c1ccccc1C)CCC2 ZINC000373385120 458477608 /nfs/dbraw/zinc/47/76/08/458477608.db2.gz OWKODYMVVKIEJD-KRWDZBQOSA-N 2 2 335.455 3.353 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000430916836 458505204 /nfs/dbraw/zinc/50/52/04/458505204.db2.gz IKMRIEULJFUKIS-JLSDUUJJSA-N 2 2 349.494 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000430916836 458505209 /nfs/dbraw/zinc/50/52/09/458505209.db2.gz IKMRIEULJFUKIS-JLSDUUJJSA-N 2 2 349.494 3.088 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430927124 458505950 /nfs/dbraw/zinc/50/59/50/458505950.db2.gz POROIMHQFVBBST-OAHLLOKOSA-N 2 2 345.874 3.355 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430927124 458505957 /nfs/dbraw/zinc/50/59/57/458505957.db2.gz POROIMHQFVBBST-OAHLLOKOSA-N 2 2 345.874 3.355 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000430924122 458506769 /nfs/dbraw/zinc/50/67/69/458506769.db2.gz HLBNMKLOMQWKQP-NSHDSACASA-N 2 2 344.286 3.252 20 0 EGADLP CC[NH+](CC)C[C@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453113609 458518938 /nfs/dbraw/zinc/51/89/38/458518938.db2.gz UOHYOQIXQFOFRH-WMLDXEAASA-N 2 2 334.895 3.483 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC000431065768 458522992 /nfs/dbraw/zinc/52/29/92/458522992.db2.gz KGSVAGHLHQCWOP-INIZCTEOSA-N 2 2 339.443 3.472 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC000431065768 458522998 /nfs/dbraw/zinc/52/29/98/458522998.db2.gz KGSVAGHLHQCWOP-INIZCTEOSA-N 2 2 339.443 3.472 20 0 EGADLP COc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377778173 458524786 /nfs/dbraw/zinc/52/47/86/458524786.db2.gz XOIXPKYKKNKBGU-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377778173 458524790 /nfs/dbraw/zinc/52/47/90/458524790.db2.gz XOIXPKYKKNKBGU-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377778173 458524794 /nfs/dbraw/zinc/52/47/94/458524794.db2.gz XOIXPKYKKNKBGU-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377778173 458524799 /nfs/dbraw/zinc/52/47/99/458524799.db2.gz XOIXPKYKKNKBGU-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP CCC[N@H+](Cc1nc(-c2ccc(OCC)cc2)no1)C1CC[NH2+]CC1 ZINC000431097322 458528979 /nfs/dbraw/zinc/52/89/79/458528979.db2.gz MQOZQOTVCLKQMY-UHFFFAOYSA-N 2 2 344.459 3.099 20 0 EGADLP CCC[N@@H+](Cc1nc(-c2ccc(OCC)cc2)no1)C1CC[NH2+]CC1 ZINC000431097322 458528982 /nfs/dbraw/zinc/52/89/82/458528982.db2.gz MQOZQOTVCLKQMY-UHFFFAOYSA-N 2 2 344.459 3.099 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC(C)CC1 ZINC000373552457 458530160 /nfs/dbraw/zinc/53/01/60/458530160.db2.gz RKBOSIGPKSBFFS-WNKNEZEQSA-N 2 2 345.531 3.477 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC(C)CC1 ZINC000373552457 458530162 /nfs/dbraw/zinc/53/01/62/458530162.db2.gz RKBOSIGPKSBFFS-WNKNEZEQSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(C)(C)[C@@H]3C(C)C)c2cc1C ZINC000431126530 458532973 /nfs/dbraw/zinc/53/29/73/458532973.db2.gz GGNIWNCOWOTPPO-LPHOPBHVSA-N 2 2 329.488 3.380 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(C)(C)[C@@H]3C(C)C)c2cc1C ZINC000431126530 458532978 /nfs/dbraw/zinc/53/29/78/458532978.db2.gz GGNIWNCOWOTPPO-LPHOPBHVSA-N 2 2 329.488 3.380 20 0 EGADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424186002 458580529 /nfs/dbraw/zinc/58/05/29/458580529.db2.gz GTYYARADEXBHSR-KRWDZBQOSA-N 2 2 346.519 3.256 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760384 458593887 /nfs/dbraw/zinc/59/38/87/458593887.db2.gz ZYHBFEXQIXWIDZ-HNAYVOBHSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760384 458593889 /nfs/dbraw/zinc/59/38/89/458593889.db2.gz ZYHBFEXQIXWIDZ-HNAYVOBHSA-N 2 2 348.491 3.236 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000493890904 458595580 /nfs/dbraw/zinc/59/55/80/458595580.db2.gz IIUSVUKNECTQMM-UAFMIMERSA-N 2 2 328.500 3.399 20 0 EGADLP [NH3+]C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301778 458609867 /nfs/dbraw/zinc/60/98/67/458609867.db2.gz LIDFMSBGXGKTIU-ICSRJNTNSA-N 3 2 347.522 3.456 20 0 EGADLP [NH3+]C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301778 458609870 /nfs/dbraw/zinc/60/98/70/458609870.db2.gz LIDFMSBGXGKTIU-ICSRJNTNSA-N 3 2 347.522 3.456 20 0 EGADLP CCCc1csc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045684 458619160 /nfs/dbraw/zinc/61/91/60/458619160.db2.gz BULODYJPKQHJOF-DOTOQJQBSA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1csc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045684 458619167 /nfs/dbraw/zinc/61/91/67/458619167.db2.gz BULODYJPKQHJOF-DOTOQJQBSA-N 2 2 339.549 3.322 20 0 EGADLP C[NH+](C)[C@@H](c1nc(C2([NH3+])CCCCC2)no1)c1cccc(Cl)c1 ZINC000424344101 458622755 /nfs/dbraw/zinc/62/27/55/458622755.db2.gz KUBJSVPDZCBJEO-CQSZACIVSA-N 2 2 334.851 3.492 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)CC(C)C ZINC000439027371 458644203 /nfs/dbraw/zinc/64/42/03/458644203.db2.gz LJZATTJRYCYMHG-MRXNPFEDSA-N 2 2 331.464 3.212 20 0 EGADLP Clc1ccc(Br)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494401295 458672666 /nfs/dbraw/zinc/67/26/66/458672666.db2.gz ABPLBRVBLQDTSC-LBPRGKRZSA-N 2 2 340.652 3.404 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC000432408391 458734543 /nfs/dbraw/zinc/73/45/43/458734543.db2.gz BNXOAAXWZMBHST-GJZGRUSLSA-N 2 2 325.522 3.418 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC000432408391 458734547 /nfs/dbraw/zinc/73/45/47/458734547.db2.gz BNXOAAXWZMBHST-GJZGRUSLSA-N 2 2 325.522 3.418 20 0 EGADLP CC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)[N@H+](C)Cc1ccccc1 ZINC000456826052 458792348 /nfs/dbraw/zinc/79/23/48/458792348.db2.gz AERIHYFGYRFBEC-LJQANCHMSA-N 2 2 325.456 3.225 20 0 EGADLP CC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)[N@@H+](C)Cc1ccccc1 ZINC000456826052 458792352 /nfs/dbraw/zinc/79/23/52/458792352.db2.gz AERIHYFGYRFBEC-LJQANCHMSA-N 2 2 325.456 3.225 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C[N@H+](Cc2ccccc2)C1 ZINC000433040905 458832571 /nfs/dbraw/zinc/83/25/71/458832571.db2.gz SLGQVJYVDBAKMT-UXPWSPDFSA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000433040905 458832575 /nfs/dbraw/zinc/83/25/75/458832575.db2.gz SLGQVJYVDBAKMT-UXPWSPDFSA-N 2 2 336.479 3.360 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccncc12)c1ccc(Cl)cc1 ZINC000531253050 458894164 /nfs/dbraw/zinc/89/41/64/458894164.db2.gz QPCHYEBHXDVSDZ-SFHVURJKSA-N 2 2 326.831 3.420 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474797004 458901115 /nfs/dbraw/zinc/90/11/15/458901115.db2.gz PRIMKEUEZSRZQB-KRWDZBQOSA-N 2 2 344.421 3.338 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000474797004 458901120 /nfs/dbraw/zinc/90/11/20/458901120.db2.gz PRIMKEUEZSRZQB-KRWDZBQOSA-N 2 2 344.421 3.338 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631649 458903167 /nfs/dbraw/zinc/90/31/67/458903167.db2.gz RLHCCUQAQLZBQA-CABCVRRESA-N 2 2 344.459 3.212 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631649 458903172 /nfs/dbraw/zinc/90/31/72/458903172.db2.gz RLHCCUQAQLZBQA-CABCVRRESA-N 2 2 344.459 3.212 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441350029 458925161 /nfs/dbraw/zinc/92/51/61/458925161.db2.gz GVLCDQXEIQPEBQ-QUCCMNQESA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441350029 458925165 /nfs/dbraw/zinc/92/51/65/458925165.db2.gz GVLCDQXEIQPEBQ-QUCCMNQESA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000441350029 458925166 /nfs/dbraw/zinc/92/51/66/458925166.db2.gz GVLCDQXEIQPEBQ-QUCCMNQESA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000441350029 458925171 /nfs/dbraw/zinc/92/51/71/458925171.db2.gz GVLCDQXEIQPEBQ-QUCCMNQESA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441363220 458926104 /nfs/dbraw/zinc/92/61/04/458926104.db2.gz YTHRHYFFRNZVKQ-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441363220 458926106 /nfs/dbraw/zinc/92/61/06/458926106.db2.gz YTHRHYFFRNZVKQ-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000441363220 458926112 /nfs/dbraw/zinc/92/61/12/458926112.db2.gz YTHRHYFFRNZVKQ-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000441363220 458926113 /nfs/dbraw/zinc/92/61/13/458926113.db2.gz YTHRHYFFRNZVKQ-PKOBYXMFSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466898631 458930657 /nfs/dbraw/zinc/93/06/57/458930657.db2.gz ZKLNQWVDBFMCSI-VLCRHTCISA-N 2 2 338.495 3.151 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466898631 458930662 /nfs/dbraw/zinc/93/06/62/458930662.db2.gz ZKLNQWVDBFMCSI-VLCRHTCISA-N 2 2 338.495 3.151 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000495776388 458948534 /nfs/dbraw/zinc/94/85/34/458948534.db2.gz GWVOZKSMZIMWCP-VXGBXAGGSA-N 2 2 340.493 3.062 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000495776388 458948539 /nfs/dbraw/zinc/94/85/39/458948539.db2.gz GWVOZKSMZIMWCP-VXGBXAGGSA-N 2 2 340.493 3.062 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc2ccccc21 ZINC000519590615 458970369 /nfs/dbraw/zinc/97/03/69/458970369.db2.gz DHIVSDPODRCQGA-XMDUPGNXSA-N 2 2 325.456 3.143 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000577228537 459001592 /nfs/dbraw/zinc/00/15/92/459001592.db2.gz AXNCRTYMOAGVGH-LSDHHAIUSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000577228537 459001597 /nfs/dbraw/zinc/00/15/97/459001597.db2.gz AXNCRTYMOAGVGH-LSDHHAIUSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(C)c[nH+]1 ZINC000577406196 459028944 /nfs/dbraw/zinc/02/89/44/459028944.db2.gz VYICGRBIEMBAQD-APWZRJJASA-N 2 2 340.471 3.242 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000442780602 459034496 /nfs/dbraw/zinc/03/44/96/459034496.db2.gz KSCMQFKUHSVQLB-SJPCQFCGSA-N 2 2 326.444 3.014 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000442780602 459034502 /nfs/dbraw/zinc/03/45/02/459034502.db2.gz KSCMQFKUHSVQLB-SJPCQFCGSA-N 2 2 326.444 3.014 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000556952451 459036245 /nfs/dbraw/zinc/03/62/45/459036245.db2.gz YXHGGFYYOGJROG-IBGZPJMESA-N 2 2 336.414 3.192 20 0 EGADLP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000442798237 459038517 /nfs/dbraw/zinc/03/85/17/459038517.db2.gz WDJYERGDQCKIHY-WBVHZDCISA-N 2 2 349.544 3.002 20 0 EGADLP CSc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000442798237 459038520 /nfs/dbraw/zinc/03/85/20/459038520.db2.gz WDJYERGDQCKIHY-WBVHZDCISA-N 2 2 349.544 3.002 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NCCCC1CCCCC1 ZINC000532160424 459039946 /nfs/dbraw/zinc/03/99/46/459039946.db2.gz IVHAPEDBBRITRD-FQEVSTJZSA-N 2 2 349.563 3.413 20 0 EGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NCCCC1CCCCC1 ZINC000532160424 459039953 /nfs/dbraw/zinc/03/99/53/459039953.db2.gz IVHAPEDBBRITRD-FQEVSTJZSA-N 2 2 349.563 3.413 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000442821588 459043831 /nfs/dbraw/zinc/04/38/31/459043831.db2.gz NBCSROSLAIVFFM-INIZCTEOSA-N 2 2 346.434 3.460 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)nnn1-c1ccc(F)cc1 ZINC000532194917 459044608 /nfs/dbraw/zinc/04/46/08/459044608.db2.gz DXKLMHBQTJNHAJ-AWEZNQCLSA-N 2 2 342.422 3.042 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000594522591 459079009 /nfs/dbraw/zinc/07/90/09/459079009.db2.gz ZYXLOWRZOSMREY-VJANTYMQSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000594522591 459079017 /nfs/dbraw/zinc/07/90/17/459079017.db2.gz ZYXLOWRZOSMREY-VJANTYMQSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000520623509 459080093 /nfs/dbraw/zinc/08/00/93/459080093.db2.gz QWZAMXZMAPPCQL-PXNSSMCTSA-N 2 2 340.467 3.333 20 0 EGADLP Fc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000577866069 459110132 /nfs/dbraw/zinc/11/01/32/459110132.db2.gz XJBJWAXJBMFIFK-KRWDZBQOSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000577866069 459110138 /nfs/dbraw/zinc/11/01/38/459110138.db2.gz XJBJWAXJBMFIFK-KRWDZBQOSA-N 2 2 326.843 3.166 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCC3CCCCCC3)[nH+]c2)CC1 ZINC000532675218 459127112 /nfs/dbraw/zinc/12/71/12/459127112.db2.gz BHRCZSLNLGKFRK-UHFFFAOYSA-N 2 2 330.520 3.416 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H](O)CC(F)(F)F)ccc2n1C1CC1 ZINC000578007188 459130807 /nfs/dbraw/zinc/13/08/07/459130807.db2.gz DCKGOHDCYPCTAD-ZDUSSCGKSA-N 2 2 341.377 3.337 20 0 EGADLP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000558103296 459131795 /nfs/dbraw/zinc/13/17/95/459131795.db2.gz KNEVJKLQQBFNTD-GOSISDBHSA-N 2 2 345.874 3.215 20 0 EGADLP COC(=O)CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000532722956 459135070 /nfs/dbraw/zinc/13/50/70/459135070.db2.gz QVXCSEMVCZTTMA-UHFFFAOYSA-N 2 2 327.428 3.228 20 0 EGADLP CC[N@H+](CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000567679636 459143378 /nfs/dbraw/zinc/14/33/78/459143378.db2.gz AEUWTUYJDZHYFV-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@@H+](CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000567679636 459143383 /nfs/dbraw/zinc/14/33/83/459143383.db2.gz AEUWTUYJDZHYFV-UHFFFAOYSA-N 2 2 343.393 3.108 20 0 EGADLP c1ccc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000532969916 459168878 /nfs/dbraw/zinc/16/88/78/459168878.db2.gz MDZBWXXYBYKRIE-SFHVURJKSA-N 2 2 336.483 3.451 20 0 EGADLP c1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000532969916 459168883 /nfs/dbraw/zinc/16/88/83/459168883.db2.gz MDZBWXXYBYKRIE-SFHVURJKSA-N 2 2 336.483 3.451 20 0 EGADLP c1nc2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc2[nH]1 ZINC000521905544 459192287 /nfs/dbraw/zinc/19/22/87/459192287.db2.gz VNZMTZFXPFWXIL-MRXNPFEDSA-N 2 2 335.455 3.475 20 0 EGADLP c1nc2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)ccc2[nH]1 ZINC000521905544 459192291 /nfs/dbraw/zinc/19/22/91/459192291.db2.gz VNZMTZFXPFWXIL-MRXNPFEDSA-N 2 2 335.455 3.475 20 0 EGADLP c1nc2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000521905544 459192296 /nfs/dbraw/zinc/19/22/96/459192296.db2.gz VNZMTZFXPFWXIL-MRXNPFEDSA-N 2 2 335.455 3.475 20 0 EGADLP c1nc2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2[nH]1 ZINC000521905544 459192301 /nfs/dbraw/zinc/19/23/01/459192301.db2.gz VNZMTZFXPFWXIL-MRXNPFEDSA-N 2 2 335.455 3.475 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123023 459195274 /nfs/dbraw/zinc/19/52/74/459195274.db2.gz IHLRBHKOGGQKCS-ICSRJNTNSA-N 2 2 347.466 3.433 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000567990662 459204574 /nfs/dbraw/zinc/20/45/74/459204574.db2.gz UYBMBJSYXMHWBR-HOTGVXAUSA-N 2 2 343.496 3.250 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000567990662 459204578 /nfs/dbraw/zinc/20/45/78/459204578.db2.gz UYBMBJSYXMHWBR-HOTGVXAUSA-N 2 2 343.496 3.250 20 0 EGADLP CC(C)C[C@H]1COCC[NH+]1CC(C)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000533304138 459217809 /nfs/dbraw/zinc/21/78/09/459217809.db2.gz RQJUNHNUHYLKLV-PMACEKPBSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C)C[C@H]1COCC[NH+]1CC(C)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000533304138 459217814 /nfs/dbraw/zinc/21/78/14/459217814.db2.gz RQJUNHNUHYLKLV-PMACEKPBSA-N 2 2 340.552 3.116 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000533431981 459234358 /nfs/dbraw/zinc/23/43/58/459234358.db2.gz UIYSRYHTEYLXSW-QUCCMNQESA-N 2 2 341.499 3.132 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000533431981 459234366 /nfs/dbraw/zinc/23/43/66/459234366.db2.gz UIYSRYHTEYLXSW-QUCCMNQESA-N 2 2 341.499 3.132 20 0 EGADLP COc1ccc(OCCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000560043690 459294942 /nfs/dbraw/zinc/29/49/42/459294942.db2.gz KRGMSBZZNWQEHS-UHFFFAOYSA-N 2 2 341.455 3.436 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC000595503727 459327996 /nfs/dbraw/zinc/32/79/96/459327996.db2.gz ATBAVZPTKHNIAP-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1Cl ZINC000595503727 459327997 /nfs/dbraw/zinc/32/79/97/459327997.db2.gz ATBAVZPTKHNIAP-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1Cl ZINC000595503727 459328000 /nfs/dbraw/zinc/32/80/00/459328000.db2.gz ATBAVZPTKHNIAP-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000595503727 459328004 /nfs/dbraw/zinc/32/80/04/459328004.db2.gz ATBAVZPTKHNIAP-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP Cc1ccc(-c2csc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000568778682 459343937 /nfs/dbraw/zinc/34/39/37/459343937.db2.gz IOVXSRHMPRVJER-UHFFFAOYSA-N 2 2 339.468 3.164 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000582488823 459373869 /nfs/dbraw/zinc/37/38/69/459373869.db2.gz SJDQGEUOOPAIHA-RBUKOAKNSA-N 2 2 331.504 3.171 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000582488823 459373874 /nfs/dbraw/zinc/37/38/74/459373874.db2.gz SJDQGEUOOPAIHA-RBUKOAKNSA-N 2 2 331.504 3.171 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCCOc3ccccc3C)CC2)c1 ZINC000483543379 459374406 /nfs/dbraw/zinc/37/44/06/459374406.db2.gz YHEVZRXETKEMLH-UHFFFAOYSA-N 2 2 325.456 3.290 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000484124314 459407222 /nfs/dbraw/zinc/40/72/22/459407222.db2.gz BPBKRCWRWKQXSI-MSOLQXFVSA-N 2 2 334.504 3.340 20 0 EGADLP c1ccc2c(c1)cccc2CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000525121226 459417100 /nfs/dbraw/zinc/41/71/00/459417100.db2.gz AWRIEVJRBLXHON-LJQANCHMSA-N 2 2 338.495 3.427 20 0 EGADLP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000525121226 459417105 /nfs/dbraw/zinc/41/71/05/459417105.db2.gz AWRIEVJRBLXHON-LJQANCHMSA-N 2 2 338.495 3.427 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341928 459435475 /nfs/dbraw/zinc/43/54/75/459435475.db2.gz YYCRQFCVSSGEAQ-SBHAEUEKSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341928 459435479 /nfs/dbraw/zinc/43/54/79/459435479.db2.gz YYCRQFCVSSGEAQ-SBHAEUEKSA-N 2 2 347.547 3.158 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485189050 459443963 /nfs/dbraw/zinc/44/39/63/459443963.db2.gz PVZKNEQBHAPSLP-FUHWJXTLSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485189050 459443967 /nfs/dbraw/zinc/44/39/67/459443967.db2.gz PVZKNEQBHAPSLP-FUHWJXTLSA-N 2 2 332.451 3.374 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867293 459458439 /nfs/dbraw/zinc/45/84/39/459458439.db2.gz OGELTGBXWLPCMY-BZSNNMDCSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867293 459458443 /nfs/dbraw/zinc/45/84/43/459458443.db2.gz OGELTGBXWLPCMY-BZSNNMDCSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)nnn1-c1ccc(Cl)cc1 ZINC000582958691 459458466 /nfs/dbraw/zinc/45/84/66/459458466.db2.gz RHGBMJOJPFRYOT-CYBMUJFWSA-N 2 2 335.883 3.268 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866991 459458676 /nfs/dbraw/zinc/45/86/76/459458676.db2.gz LMQILMUJICKUIE-CABCVRRESA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866991 459458680 /nfs/dbraw/zinc/45/86/80/459458680.db2.gz LMQILMUJICKUIE-CABCVRRESA-N 2 2 344.484 3.269 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000595895621 459479984 /nfs/dbraw/zinc/47/99/84/459479984.db2.gz QPYCQFFXRDOIQM-SJORKVTESA-N 2 2 336.863 3.018 20 0 EGADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+](C)CCN3C)cc2)c1 ZINC000525708608 459481074 /nfs/dbraw/zinc/48/10/74/459481074.db2.gz DRRXYRLSWDUFSO-QFIPXVFZSA-N 2 2 337.511 3.306 20 0 EGADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H]3C[N@H+](C)CCN3C)cc2)c1 ZINC000525708608 459481083 /nfs/dbraw/zinc/48/10/83/459481083.db2.gz DRRXYRLSWDUFSO-QFIPXVFZSA-N 2 2 337.511 3.306 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742051 459486924 /nfs/dbraw/zinc/48/69/24/459486924.db2.gz PTPXVRGWKMOHAQ-RDJZCZTQSA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742051 459486929 /nfs/dbraw/zinc/48/69/29/459486929.db2.gz PTPXVRGWKMOHAQ-RDJZCZTQSA-N 2 2 332.517 3.435 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ncccc1O ZINC000583171868 459494004 /nfs/dbraw/zinc/49/40/04/459494004.db2.gz IWSAZQRZJGITAT-IGOJGBNBSA-N 2 2 325.456 3.033 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ncccc1O ZINC000583171868 459494006 /nfs/dbraw/zinc/49/40/06/459494006.db2.gz IWSAZQRZJGITAT-IGOJGBNBSA-N 2 2 325.456 3.033 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000486673799 459513284 /nfs/dbraw/zinc/51/32/84/459513284.db2.gz ODQITRIXUMCREX-MAUKXSAKSA-N 2 2 340.471 3.486 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000486673799 459513289 /nfs/dbraw/zinc/51/32/89/459513289.db2.gz ODQITRIXUMCREX-MAUKXSAKSA-N 2 2 340.471 3.486 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C[C@@H]1C ZINC000592403443 459594605 /nfs/dbraw/zinc/59/46/05/459594605.db2.gz LGWPQBLSKBLBMB-YXJHDRRASA-N 2 2 343.471 3.143 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484930 459611930 /nfs/dbraw/zinc/61/19/30/459611930.db2.gz JDAQOHALOQETRC-UHFFFAOYSA-N 2 2 341.455 3.033 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592487925 459612098 /nfs/dbraw/zinc/61/20/98/459612098.db2.gz CSPCPWZTNINADQ-IUODEOHRSA-N 2 2 332.469 3.247 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592487925 459612101 /nfs/dbraw/zinc/61/21/01/459612101.db2.gz CSPCPWZTNINADQ-IUODEOHRSA-N 2 2 332.469 3.247 20 0 EGADLP Cc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)o1 ZINC000584061022 459645235 /nfs/dbraw/zinc/64/52/35/459645235.db2.gz VLCXKHMODRQVOB-ZDUSSCGKSA-N 2 2 328.441 3.435 20 0 EGADLP Cc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cs2)o1 ZINC000584061022 459645242 /nfs/dbraw/zinc/64/52/42/459645242.db2.gz VLCXKHMODRQVOB-ZDUSSCGKSA-N 2 2 328.441 3.435 20 0 EGADLP C[C@H](C[NH2+]Cc1ncc(Br)cc1F)C[NH+]1CCCCC1 ZINC000527640534 459681651 /nfs/dbraw/zinc/68/16/51/459681651.db2.gz FZLIFKVIDUYWPZ-GFCCVEGCSA-N 2 2 344.272 3.195 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527653971 459685838 /nfs/dbraw/zinc/68/58/38/459685838.db2.gz NVJWRHOMUXIPDR-LBPRGKRZSA-N 2 2 344.272 3.193 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527653971 459685842 /nfs/dbraw/zinc/68/58/42/459685842.db2.gz NVJWRHOMUXIPDR-LBPRGKRZSA-N 2 2 344.272 3.193 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1Cl ZINC000543994927 459717021 /nfs/dbraw/zinc/71/70/21/459717021.db2.gz JMOCRAHRNFVBSW-UKRRQHHQSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1Cl ZINC000543994927 459717024 /nfs/dbraw/zinc/71/70/24/459717024.db2.gz JMOCRAHRNFVBSW-UKRRQHHQSA-N 2 2 337.895 3.297 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020370 459719731 /nfs/dbraw/zinc/71/97/31/459719731.db2.gz DFHABDXTHFEZKO-OAHLLOKOSA-N 2 2 334.891 3.439 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020370 459719738 /nfs/dbraw/zinc/71/97/38/459719738.db2.gz DFHABDXTHFEZKO-OAHLLOKOSA-N 2 2 334.891 3.439 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020370 459719744 /nfs/dbraw/zinc/71/97/44/459719744.db2.gz DFHABDXTHFEZKO-OAHLLOKOSA-N 2 2 334.891 3.439 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020370 459719752 /nfs/dbraw/zinc/71/97/52/459719752.db2.gz DFHABDXTHFEZKO-OAHLLOKOSA-N 2 2 334.891 3.439 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000584378459 459721384 /nfs/dbraw/zinc/72/13/84/459721384.db2.gz KOBAWSOWOGIIQS-NSMXISOQSA-N 2 2 336.479 3.172 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000584378459 459721388 /nfs/dbraw/zinc/72/13/88/459721388.db2.gz KOBAWSOWOGIIQS-NSMXISOQSA-N 2 2 336.479 3.172 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000573698611 459721357 /nfs/dbraw/zinc/72/13/57/459721357.db2.gz CPOOXSDPCXRZOA-INIZCTEOSA-N 3 2 326.488 3.250 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1C ZINC000573698611 459721358 /nfs/dbraw/zinc/72/13/58/459721358.db2.gz CPOOXSDPCXRZOA-INIZCTEOSA-N 3 2 326.488 3.250 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1nc(C2CC2)[nH+]c(C)c1OC ZINC000584479940 459750749 /nfs/dbraw/zinc/75/07/49/459750749.db2.gz MPKXQOIEVOWZKR-UHFFFAOYSA-N 2 2 343.475 3.347 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](C)C(C)(C)C3)c2cc1C ZINC000544782998 459783825 /nfs/dbraw/zinc/78/38/25/459783825.db2.gz ZVZNTJBUJCOLHV-IRXDYDNUSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](C)C(C)(C)C3)c2cc1C ZINC000544782998 459783829 /nfs/dbraw/zinc/78/38/29/459783829.db2.gz ZVZNTJBUJCOLHV-IRXDYDNUSA-N 2 2 329.488 3.382 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000574168821 459787812 /nfs/dbraw/zinc/78/78/12/459787812.db2.gz JQSPARONYCKYIM-ICSRJNTNSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000574168821 459787818 /nfs/dbraw/zinc/78/78/18/459787818.db2.gz JQSPARONYCKYIM-ICSRJNTNSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168821 459787822 /nfs/dbraw/zinc/78/78/22/459787822.db2.gz JQSPARONYCKYIM-ICSRJNTNSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168821 459787826 /nfs/dbraw/zinc/78/78/26/459787826.db2.gz JQSPARONYCKYIM-ICSRJNTNSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2Cc3ccccc3NC2=O)CC1 ZINC000527998530 459791608 /nfs/dbraw/zinc/79/16/08/459791608.db2.gz IPRYELDGRQKSBW-XPGWFJOJSA-N 2 2 341.499 3.183 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3Cc4ccccc4NC3=O)CC2)C1 ZINC000528001299 459792377 /nfs/dbraw/zinc/79/23/77/459792377.db2.gz OYQGGZQYJUZNKB-XFQXTVEOSA-N 2 2 341.499 3.183 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000584788751 459803298 /nfs/dbraw/zinc/80/32/98/459803298.db2.gz QDHSJBGKNPBMNV-INIZCTEOSA-N 2 2 329.419 3.087 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000584788751 459803301 /nfs/dbraw/zinc/80/33/01/459803301.db2.gz QDHSJBGKNPBMNV-INIZCTEOSA-N 2 2 329.419 3.087 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000574382281 459811757 /nfs/dbraw/zinc/81/17/57/459811757.db2.gz XKNFUGTVXWQTAF-FQEVSTJZSA-N 2 2 348.450 3.062 20 0 EGADLP CC[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000566335504 459842920 /nfs/dbraw/zinc/84/29/20/459842920.db2.gz YWMXGZUGBRZRPO-IBGZPJMESA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000566335504 459842929 /nfs/dbraw/zinc/84/29/29/459842929.db2.gz YWMXGZUGBRZRPO-IBGZPJMESA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000566335504 459842934 /nfs/dbraw/zinc/84/29/34/459842934.db2.gz YWMXGZUGBRZRPO-IBGZPJMESA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000566335504 459842943 /nfs/dbraw/zinc/84/29/43/459842943.db2.gz YWMXGZUGBRZRPO-IBGZPJMESA-N 2 2 340.471 3.026 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000597242218 459891917 /nfs/dbraw/zinc/89/19/17/459891917.db2.gz VIYWPWUTYDDLEV-QUCCMNQESA-N 2 2 341.455 3.392 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000593909151 460015121 /nfs/dbraw/zinc/01/51/21/460015121.db2.gz HEMDMAMIPKZDNS-KRWDZBQOSA-N 2 2 335.517 3.080 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)c2ccccc21 ZINC000621752359 460049078 /nfs/dbraw/zinc/04/90/78/460049078.db2.gz YLQISGDVJLDOJN-SFHVURJKSA-N 2 2 338.455 3.361 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000614385838 460123414 /nfs/dbraw/zinc/12/34/14/460123414.db2.gz LBZGBKLMAPUPEB-UHFFFAOYSA-N 2 2 331.423 3.468 20 0 EGADLP COC(=O)CC1CCC([NH2+]CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000599022938 460129783 /nfs/dbraw/zinc/12/97/83/460129783.db2.gz VUNCDSWLHVJJTR-UHFFFAOYSA-N 2 2 329.444 3.056 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505076 460155157 /nfs/dbraw/zinc/15/51/57/460155157.db2.gz GEYYPVRUALUIKV-RTWAWAEBSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505076 460155167 /nfs/dbraw/zinc/15/51/67/460155167.db2.gz GEYYPVRUALUIKV-RTWAWAEBSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505076 460155176 /nfs/dbraw/zinc/15/51/76/460155176.db2.gz GEYYPVRUALUIKV-RTWAWAEBSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505076 460155186 /nfs/dbraw/zinc/15/51/86/460155186.db2.gz GEYYPVRUALUIKV-RTWAWAEBSA-N 3 2 329.532 3.172 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005130 460157976 /nfs/dbraw/zinc/15/79/76/460157976.db2.gz YUCMVGOFWFQJGL-KUHUBIRLSA-N 2 2 346.425 3.081 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622005130 460157982 /nfs/dbraw/zinc/15/79/82/460157982.db2.gz YUCMVGOFWFQJGL-KUHUBIRLSA-N 2 2 346.425 3.081 20 0 EGADLP FC(F)(F)c1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625555577 460205644 /nfs/dbraw/zinc/20/56/44/460205644.db2.gz ZMPKQJJIYBSUNZ-UHFFFAOYSA-N 2 2 328.378 3.002 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000603911769 460357844 /nfs/dbraw/zinc/35/78/44/460357844.db2.gz MPSUCQSQJKSGFT-UHFFFAOYSA-N 2 2 341.455 3.039 20 0 EGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000631442027 460380953 /nfs/dbraw/zinc/38/09/53/460380953.db2.gz UPMZECLTNLJYDB-WMLDXEAASA-N 2 2 326.444 3.022 20 0 EGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000631442027 460380957 /nfs/dbraw/zinc/38/09/57/460380957.db2.gz UPMZECLTNLJYDB-WMLDXEAASA-N 2 2 326.444 3.022 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000631450316 460384978 /nfs/dbraw/zinc/38/49/78/460384978.db2.gz UVAVQOMULLIYNV-UHFFFAOYSA-N 2 2 327.476 3.420 20 0 EGADLP COC(=O)CC1(C[NH2+][C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000619650631 460404019 /nfs/dbraw/zinc/40/40/19/460404019.db2.gz PLBDFOGLYFLHKO-GOSISDBHSA-N 2 2 330.472 3.147 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000623090176 460409070 /nfs/dbraw/zinc/40/90/70/460409070.db2.gz BLQVYDJXSZKTJZ-UHFFFAOYSA-N 2 2 325.428 3.363 20 0 EGADLP O[C@]1(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646827 460458023 /nfs/dbraw/zinc/45/80/23/460458023.db2.gz LWUWOGQSFZZCDZ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[N@H+]2CC[C@@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646827 460458031 /nfs/dbraw/zinc/45/80/31/460458031.db2.gz LWUWOGQSFZZCDZ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646827 460458036 /nfs/dbraw/zinc/45/80/36/460458036.db2.gz LWUWOGQSFZZCDZ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646827 460458044 /nfs/dbraw/zinc/45/80/44/460458044.db2.gz LWUWOGQSFZZCDZ-NHCUHLMSSA-N 2 2 340.442 3.210 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000631665797 460498990 /nfs/dbraw/zinc/49/89/90/460498990.db2.gz XZBMJNGPHSXVPZ-QRQLOZEOSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000631665797 460498996 /nfs/dbraw/zinc/49/89/96/460498996.db2.gz XZBMJNGPHSXVPZ-QRQLOZEOSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000631664911 460499327 /nfs/dbraw/zinc/49/93/27/460499327.db2.gz RZBWQAMDWMVBNH-WDSOQIARSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000631664911 460499334 /nfs/dbraw/zinc/49/93/34/460499334.db2.gz RZBWQAMDWMVBNH-WDSOQIARSA-N 2 2 326.488 3.229 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)[C@H](C)C1 ZINC000631726796 460534753 /nfs/dbraw/zinc/53/47/53/460534753.db2.gz VGPFDJUEHLIOJA-RHSMWYFYSA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)[C@H](C)C1 ZINC000631726796 460534759 /nfs/dbraw/zinc/53/47/59/460534759.db2.gz VGPFDJUEHLIOJA-RHSMWYFYSA-N 2 2 326.431 3.191 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000629560699 460808421 /nfs/dbraw/zinc/80/84/21/460808421.db2.gz MXWBQGSFWIOVFF-NEPJUHHUSA-N 2 2 336.785 3.308 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000629560699 460808423 /nfs/dbraw/zinc/80/84/23/460808423.db2.gz MXWBQGSFWIOVFF-NEPJUHHUSA-N 2 2 336.785 3.308 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c(C[NH+](C)C)c1 ZINC000635565519 460835053 /nfs/dbraw/zinc/83/50/53/460835053.db2.gz CVZCRWAJAYJZKT-GOSISDBHSA-N 2 2 328.460 3.479 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000629651065 460847796 /nfs/dbraw/zinc/84/77/96/460847796.db2.gz IPBIBMYNGSYYNI-UHFFFAOYSA-N 2 2 338.455 3.002 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000629651065 460847800 /nfs/dbraw/zinc/84/78/00/460847800.db2.gz IPBIBMYNGSYYNI-UHFFFAOYSA-N 2 2 338.455 3.002 20 0 EGADLP COCCCCNc1ccc(-c2ccc(CC[NH+](C)C)cc2)c[nH+]1 ZINC000629732219 460892963 /nfs/dbraw/zinc/89/29/63/460892963.db2.gz SIFSCZGSUUZPMF-UHFFFAOYSA-N 2 2 327.472 3.113 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000624188021 460902340 /nfs/dbraw/zinc/90/23/40/460902340.db2.gz UGJJFBIXNBSPFT-PKOBYXMFSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2ccccc21 ZINC000624188021 460902347 /nfs/dbraw/zinc/90/23/47/460902347.db2.gz UGJJFBIXNBSPFT-PKOBYXMFSA-N 2 2 327.472 3.091 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCc4ccccc43)c2cc1C ZINC000613342947 460915477 /nfs/dbraw/zinc/91/54/77/460915477.db2.gz MFZGZBUYTXRIAL-IEBWSBKVSA-N 2 2 335.451 3.291 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290026 460945775 /nfs/dbraw/zinc/94/57/75/460945775.db2.gz UOQLMTMXUCKSBD-ZTFRIQLXSA-N 2 2 343.298 3.489 20 0 EGADLP O[C@H]1CC[N@H+](CC[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624334852 460964281 /nfs/dbraw/zinc/96/42/81/460964281.db2.gz HJWCOKLBKWGXJG-VQTJNVASSA-N 2 2 344.886 3.280 20 0 EGADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000624334852 460964288 /nfs/dbraw/zinc/96/42/88/460964288.db2.gz HJWCOKLBKWGXJG-VQTJNVASSA-N 2 2 344.886 3.280 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624338004 460965824 /nfs/dbraw/zinc/96/58/24/460965824.db2.gz RGKIXVLURSYHGQ-PBHICJAKSA-N 2 2 346.421 3.349 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624338004 460965829 /nfs/dbraw/zinc/96/58/29/460965829.db2.gz RGKIXVLURSYHGQ-PBHICJAKSA-N 2 2 346.421 3.349 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000621334354 460992869 /nfs/dbraw/zinc/99/28/69/460992869.db2.gz CBXNNGPTRJHQCW-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000621334354 460992877 /nfs/dbraw/zinc/99/28/77/460992877.db2.gz CBXNNGPTRJHQCW-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000621355521 461004768 /nfs/dbraw/zinc/00/47/68/461004768.db2.gz OYQUHCNAEJAEPJ-OXQOHEQNSA-N 2 2 325.456 3.233 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000621355521 461004771 /nfs/dbraw/zinc/00/47/71/461004771.db2.gz OYQUHCNAEJAEPJ-OXQOHEQNSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000628186542 461037459 /nfs/dbraw/zinc/03/74/59/461037459.db2.gz NRAIXJWNNLKEKQ-SBHAEUEKSA-N 2 2 329.532 3.056 20 0 EGADLP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000628186542 461037463 /nfs/dbraw/zinc/03/74/63/461037463.db2.gz NRAIXJWNNLKEKQ-SBHAEUEKSA-N 2 2 329.532 3.056 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)[C@@H](C)C1 ZINC000628261410 461065257 /nfs/dbraw/zinc/06/52/57/461065257.db2.gz UZGPJPHPFMRLMF-HNNXBMFYSA-N 2 2 342.487 3.132 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)[C@@H](C)C1 ZINC000628261410 461065260 /nfs/dbraw/zinc/06/52/60/461065260.db2.gz UZGPJPHPFMRLMF-HNNXBMFYSA-N 2 2 342.487 3.132 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000608495379 461074817 /nfs/dbraw/zinc/07/48/17/461074817.db2.gz QUHHWBPVYFICER-HNNXBMFYSA-N 2 2 332.473 3.145 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000608495379 461074818 /nfs/dbraw/zinc/07/48/18/461074818.db2.gz QUHHWBPVYFICER-HNNXBMFYSA-N 2 2 332.473 3.145 20 0 EGADLP C[C@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652332570 461134580 /nfs/dbraw/zinc/13/45/80/461134580.db2.gz KQWPWWUBLUVATK-KXBFYZLASA-N 2 2 348.450 3.299 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2[nH+]1 ZINC000668155504 461141124 /nfs/dbraw/zinc/14/11/24/461141124.db2.gz REBROIJFRGOCKY-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)cc2[nH+]1 ZINC000668155504 461141128 /nfs/dbraw/zinc/14/11/28/461141128.db2.gz REBROIJFRGOCKY-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000668172854 461158803 /nfs/dbraw/zinc/15/88/03/461158803.db2.gz VERWVCFYITWFAR-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000668172854 461158809 /nfs/dbraw/zinc/15/88/09/461158809.db2.gz VERWVCFYITWFAR-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000668172854 461158816 /nfs/dbraw/zinc/15/88/16/461158816.db2.gz VERWVCFYITWFAR-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000668172854 461158820 /nfs/dbraw/zinc/15/88/20/461158820.db2.gz VERWVCFYITWFAR-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978946 461169663 /nfs/dbraw/zinc/16/96/63/461169663.db2.gz QOCAHLNMDNESGJ-PKOBYXMFSA-N 2 2 330.520 3.315 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978946 461169671 /nfs/dbraw/zinc/16/96/71/461169671.db2.gz QOCAHLNMDNESGJ-PKOBYXMFSA-N 2 2 330.520 3.315 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000637982697 461172447 /nfs/dbraw/zinc/17/24/47/461172447.db2.gz HVCCKOKODACKDY-UHFFFAOYSA-N 2 2 335.835 3.391 20 0 EGADLP Fc1cccc([C@H]2COCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662310019 461182506 /nfs/dbraw/zinc/18/25/06/461182506.db2.gz GHESXAMXDPPANI-HXUWFJFHSA-N 2 2 326.415 3.045 20 0 EGADLP Fc1cccc([C@H]2COCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662310019 461182512 /nfs/dbraw/zinc/18/25/12/461182512.db2.gz GHESXAMXDPPANI-HXUWFJFHSA-N 2 2 326.415 3.045 20 0 EGADLP Cc1cccc2[nH]c(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc21 ZINC000668299278 461235130 /nfs/dbraw/zinc/23/51/30/461235130.db2.gz ZVTJDDKGUZVPMO-GOSISDBHSA-N 2 2 327.472 3.163 20 0 EGADLP Cc1cccc2[nH]c(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc21 ZINC000668299278 461235137 /nfs/dbraw/zinc/23/51/37/461235137.db2.gz ZVTJDDKGUZVPMO-GOSISDBHSA-N 2 2 327.472 3.163 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2[nH+]c1C(C)(C)C ZINC000655471560 461267141 /nfs/dbraw/zinc/26/71/41/461267141.db2.gz QRMRRCCINMFDIZ-VBKZILBWSA-N 2 2 340.471 3.199 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638291308 461350606 /nfs/dbraw/zinc/35/06/06/461350606.db2.gz OCCZVYKKUAQORP-UHFFFAOYSA-N 2 2 338.249 3.164 20 0 EGADLP CC[NH+](CC)CC1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630850831 461365182 /nfs/dbraw/zinc/36/51/82/461365182.db2.gz JGASREVHYNZRRM-UHFFFAOYSA-N 2 2 340.471 3.271 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655704131 461376353 /nfs/dbraw/zinc/37/63/53/461376353.db2.gz QIPOAXQMNCNPEM-VQIMIIECSA-N 2 2 332.488 3.379 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cs2)cc1OC ZINC000641802315 461380444 /nfs/dbraw/zinc/38/04/44/461380444.db2.gz IZFAAOUBGXLILE-JKSUJKDBSA-N 2 2 347.484 3.043 20 0 EGADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000655708911 461380531 /nfs/dbraw/zinc/38/05/31/461380531.db2.gz PPEYFLAHDXWTRS-RTWAWAEBSA-N 2 2 337.467 3.014 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360636 461387102 /nfs/dbraw/zinc/38/71/02/461387102.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360636 461387109 /nfs/dbraw/zinc/38/71/09/461387109.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360636 461387115 /nfs/dbraw/zinc/38/71/15/461387115.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360636 461387120 /nfs/dbraw/zinc/38/71/20/461387120.db2.gz XQMQOVCSRINWDI-KPLVRAHFSA-N 3 2 339.527 3.428 20 0 EGADLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(OCC2CC2)c1 ZINC000655721336 461391718 /nfs/dbraw/zinc/39/17/18/461391718.db2.gz NNKTZVKZHPDEFK-FQEVSTJZSA-N 2 2 344.499 3.127 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000655727654 461396994 /nfs/dbraw/zinc/39/69/94/461396994.db2.gz SSPGBUXWBVIMSW-SWLSCSKDSA-N 2 2 326.843 3.383 20 0 EGADLP Cc1cc([NH+]2CCCC2)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737500 461404801 /nfs/dbraw/zinc/40/48/01/461404801.db2.gz BYMFOIUGUSDNDT-LJQANCHMSA-N 2 2 329.488 3.260 20 0 EGADLP c1cn2c([nH+]1)[C@H](Nc1cccc(C[NH+]3CCSCC3)c1)CCC2 ZINC000655744917 461412668 /nfs/dbraw/zinc/41/26/68/461412668.db2.gz XFBLDHQZNRMIGP-QGZVFWFLSA-N 2 2 328.485 3.379 20 0 EGADLP Fc1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655752645 461418387 /nfs/dbraw/zinc/41/83/87/461418387.db2.gz NXTODVHCESQBHS-VQIMIIECSA-N 2 2 348.462 3.272 20 0 EGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655780468 461443414 /nfs/dbraw/zinc/44/34/14/461443414.db2.gz ZUWRAYCCXIGPDK-QGZVFWFLSA-N 2 2 332.463 3.438 20 0 EGADLP C[C@@H](Nc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1)c1ccccc1 ZINC000653076320 461489727 /nfs/dbraw/zinc/48/97/27/461489727.db2.gz RGCDJXPIXJFYCV-DNVCBOLYSA-N 2 2 340.471 3.077 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000653085395 461493406 /nfs/dbraw/zinc/49/34/06/461493406.db2.gz KETHVMHVSVFVLO-HXUWFJFHSA-N 2 2 339.483 3.079 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848625 461495506 /nfs/dbraw/zinc/49/55/06/461495506.db2.gz JDMOQZGGINDXDJ-DZFGPLHGSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848625 461495516 /nfs/dbraw/zinc/49/55/16/461495516.db2.gz JDMOQZGGINDXDJ-DZFGPLHGSA-N 3 2 345.531 3.295 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000653095080 461498400 /nfs/dbraw/zinc/49/84/00/461498400.db2.gz ZFLXCVCWZNFHLN-HOTGVXAUSA-N 2 2 339.911 3.213 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655849863 461498504 /nfs/dbraw/zinc/49/85/04/461498504.db2.gz ZSLLOKFNUOHGIB-ROUUACIJSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849863 461498514 /nfs/dbraw/zinc/49/85/14/461498514.db2.gz ZSLLOKFNUOHGIB-ROUUACIJSA-N 2 2 335.536 3.020 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655850486 461498648 /nfs/dbraw/zinc/49/86/48/461498648.db2.gz WBFWHZXCZQNAHY-YTQUADARSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655850486 461498656 /nfs/dbraw/zinc/49/86/56/461498656.db2.gz WBFWHZXCZQNAHY-YTQUADARSA-N 2 2 329.488 3.319 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000655850302 461498793 /nfs/dbraw/zinc/49/87/93/461498793.db2.gz UIDNJOOBWNJXSO-YADHBBJMSA-N 2 2 341.543 3.300 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655849921 461498907 /nfs/dbraw/zinc/49/89/07/461498907.db2.gz QWLAJQLJGNBCSW-PWIZWCRZSA-N 2 2 332.488 3.379 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655849921 461498919 /nfs/dbraw/zinc/49/89/19/461498919.db2.gz QWLAJQLJGNBCSW-PWIZWCRZSA-N 2 2 332.488 3.379 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)sn1 ZINC000638612008 461506806 /nfs/dbraw/zinc/50/68/06/461506806.db2.gz LJNCZIKMTYKLPS-AWEZNQCLSA-N 2 2 331.485 3.467 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(F)c1 ZINC000631061600 461513144 /nfs/dbraw/zinc/51/31/44/461513144.db2.gz CGSQONHPBLIRIX-NRFANRHFSA-N 2 2 341.474 3.212 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000631073185 461524354 /nfs/dbraw/zinc/52/43/54/461524354.db2.gz GIWDBOMTXQDWND-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000631073185 461524365 /nfs/dbraw/zinc/52/43/65/461524365.db2.gz GIWDBOMTXQDWND-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663315777 461554832 /nfs/dbraw/zinc/55/48/32/461554832.db2.gz MSUWRLHZQPIIJJ-CYBMUJFWSA-N 2 2 347.511 3.086 20 0 EGADLP CC[C@H](C)[C@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)OC ZINC000638779566 461575923 /nfs/dbraw/zinc/57/59/23/461575923.db2.gz ORJFVNKJAZDKTE-YJBOKZPZSA-N 2 2 334.508 3.085 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638788735 461577332 /nfs/dbraw/zinc/57/73/32/461577332.db2.gz RRHHPXJSXJTSHE-CQSZACIVSA-N 2 2 328.435 3.118 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000638788471 461578890 /nfs/dbraw/zinc/57/88/90/461578890.db2.gz KRWDWPOFKLOBCR-OXJNMPFZSA-N 2 2 331.504 3.402 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cn21 ZINC000647262622 461597084 /nfs/dbraw/zinc/59/70/84/461597084.db2.gz HHDQONSUKPBPRK-LAUBAEHRSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cn21 ZINC000647262622 461597093 /nfs/dbraw/zinc/59/70/93/461597093.db2.gz HHDQONSUKPBPRK-LAUBAEHRSA-N 2 2 348.494 3.295 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cc(OC)no2)CC1 ZINC000660169448 461620293 /nfs/dbraw/zinc/62/02/93/461620293.db2.gz NXOVDRXNIFFCEP-UHFFFAOYSA-N 2 2 340.427 3.432 20 0 EGADLP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cccc3[nH+]ccn32)cc1F ZINC000631187797 461626894 /nfs/dbraw/zinc/62/68/94/461626894.db2.gz WBNNBSVAMZEVTI-AEFFLSMTSA-N 2 2 329.350 3.232 20 0 EGADLP CCn1c[nH+]cc1CN[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000631192522 461631888 /nfs/dbraw/zinc/63/18/88/461631888.db2.gz KBUGAXVHVZGMEC-MRXNPFEDSA-N 2 2 340.393 3.314 20 0 EGADLP c1nnc([C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466723 461655582 /nfs/dbraw/zinc/65/55/82/461655582.db2.gz XHGJHOWFXMPHAY-SJLPKXTDSA-N 2 2 331.508 3.138 20 0 EGADLP c1nnc([C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466723 461655588 /nfs/dbraw/zinc/65/55/88/461655588.db2.gz XHGJHOWFXMPHAY-SJLPKXTDSA-N 2 2 331.508 3.138 20 0 EGADLP Cc1nc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663473764 461661310 /nfs/dbraw/zinc/66/13/10/461661310.db2.gz YYGJVNOVDRWKGC-CYBMUJFWSA-N 2 2 341.297 3.388 20 0 EGADLP Cc1nc(NC[C@H]2CCC[N@H+](C(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663473764 461661320 /nfs/dbraw/zinc/66/13/20/461661320.db2.gz YYGJVNOVDRWKGC-CYBMUJFWSA-N 2 2 341.297 3.388 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)n1C ZINC000631240111 461667620 /nfs/dbraw/zinc/66/76/20/461667620.db2.gz FTUVWTCADPBWBX-UHFFFAOYSA-N 2 2 346.784 3.448 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)cc1 ZINC000653509470 461688442 /nfs/dbraw/zinc/68/84/42/461688442.db2.gz ITRRVJUOWOUORO-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)cc1 ZINC000653509470 461688448 /nfs/dbraw/zinc/68/84/48/461688448.db2.gz ITRRVJUOWOUORO-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1O ZINC000656277382 461700950 /nfs/dbraw/zinc/70/09/50/461700950.db2.gz MJMYCBXMCAZMQW-RYQLBKOJSA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1O ZINC000656277382 461700954 /nfs/dbraw/zinc/70/09/54/461700954.db2.gz MJMYCBXMCAZMQW-RYQLBKOJSA-N 2 2 332.488 3.328 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639114024 461737198 /nfs/dbraw/zinc/73/71/98/461737198.db2.gz CHKWKMKLOOBSPW-SFHVURJKSA-N 2 2 339.487 3.284 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647506935 461740325 /nfs/dbraw/zinc/74/03/25/461740325.db2.gz GGQJNDCAOZOMSS-YWZLYKJASA-N 2 2 328.456 3.175 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647506935 461740332 /nfs/dbraw/zinc/74/03/32/461740332.db2.gz GGQJNDCAOZOMSS-YWZLYKJASA-N 2 2 328.456 3.175 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000643502328 461748313 /nfs/dbraw/zinc/74/83/13/461748313.db2.gz CNSLGLQXZSBNGD-UYAOXDASSA-N 2 2 325.456 3.106 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507108 461749320 /nfs/dbraw/zinc/74/93/20/461749320.db2.gz SILIWPQOBLLCKX-CQSZACIVSA-N 2 2 325.250 3.004 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000647530717 461749189 /nfs/dbraw/zinc/74/91/89/461749189.db2.gz BHEWQHVDMXQBSE-UHFFFAOYSA-N 2 2 334.261 3.311 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643511783 461751338 /nfs/dbraw/zinc/75/13/38/461751338.db2.gz MSIQHUUDDHXKRU-OWCLPIDISA-N 2 2 341.293 3.242 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000643537683 461757546 /nfs/dbraw/zinc/75/75/46/461757546.db2.gz OGBBYWNSYUNASA-GVXVVHGQSA-N 2 2 345.281 3.276 20 0 EGADLP Cc1ccc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000647548071 461761660 /nfs/dbraw/zinc/76/16/60/461761660.db2.gz UQXQZJUZVHVNQO-BRSBDYLESA-N 2 2 330.472 3.353 20 0 EGADLP c1c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000666770331 461795163 /nfs/dbraw/zinc/79/51/63/461795163.db2.gz VCFWYYVXXZWMHD-IBGZPJMESA-N 2 2 347.466 3.166 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474380 461801421 /nfs/dbraw/zinc/80/14/21/461801421.db2.gz IEMVJSLMSRPAFD-UXHICEINSA-N 2 2 328.500 3.293 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474380 461801427 /nfs/dbraw/zinc/80/14/27/461801427.db2.gz IEMVJSLMSRPAFD-UXHICEINSA-N 2 2 328.500 3.293 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478827 461802776 /nfs/dbraw/zinc/80/27/76/461802776.db2.gz MTINMWHAJLJZBO-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478827 461802784 /nfs/dbraw/zinc/80/27/84/461802784.db2.gz MTINMWHAJLJZBO-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000639222692 461811232 /nfs/dbraw/zinc/81/12/32/461811232.db2.gz ZRHXPGRANFMQKH-WMZOPIPTSA-N 2 2 339.487 3.386 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000639222692 461811236 /nfs/dbraw/zinc/81/12/36/461811236.db2.gz ZRHXPGRANFMQKH-WMZOPIPTSA-N 2 2 339.487 3.386 20 0 EGADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000639227681 461815647 /nfs/dbraw/zinc/81/56/47/461815647.db2.gz PMJOEFKVAIKSLL-HKUYNNGSSA-N 2 2 343.515 3.078 20 0 EGADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000639227681 461815654 /nfs/dbraw/zinc/81/56/54/461815654.db2.gz PMJOEFKVAIKSLL-HKUYNNGSSA-N 2 2 343.515 3.078 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000647788560 461835477 /nfs/dbraw/zinc/83/54/77/461835477.db2.gz MCVVMDJGVORTGF-BQJUDKOJSA-N 3 2 327.516 3.110 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000647788563 461835753 /nfs/dbraw/zinc/83/57/53/461835753.db2.gz MCVVMDJGVORTGF-NCYKPQTJSA-N 3 2 327.516 3.110 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000639316921 461855967 /nfs/dbraw/zinc/85/59/67/461855967.db2.gz NJLSEBWAWRWXEO-UXHICEINSA-N 2 2 338.499 3.120 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000639316921 461855972 /nfs/dbraw/zinc/85/59/72/461855972.db2.gz NJLSEBWAWRWXEO-UXHICEINSA-N 2 2 338.499 3.120 20 0 EGADLP Fc1ccc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)cc1 ZINC000647846765 461856568 /nfs/dbraw/zinc/85/65/68/461856568.db2.gz RFFMTQIYQIOJLE-GOSISDBHSA-N 2 2 340.402 3.187 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000647927046 461890678 /nfs/dbraw/zinc/89/06/78/461890678.db2.gz XOZONTFYBOMCFA-UHFFFAOYSA-N 2 2 337.467 3.029 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996839 461904419 /nfs/dbraw/zinc/90/44/19/461904419.db2.gz IDXWVLGFMXYHDY-CYBMUJFWSA-N 2 2 327.241 3.353 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655263 461905621 /nfs/dbraw/zinc/90/56/21/461905621.db2.gz LLKGPVKDCLJEPV-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655263 461905627 /nfs/dbraw/zinc/90/56/27/461905627.db2.gz LLKGPVKDCLJEPV-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655263 461905631 /nfs/dbraw/zinc/90/56/31/461905631.db2.gz LLKGPVKDCLJEPV-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655263 461905635 /nfs/dbraw/zinc/90/56/35/461905635.db2.gz LLKGPVKDCLJEPV-WIYYLYMNSA-N 2 2 343.515 3.357 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718141 461909297 /nfs/dbraw/zinc/90/92/97/461909297.db2.gz ZMHVQFDVJNGWQS-UZLBHIALSA-N 3 2 341.474 3.427 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718141 461909301 /nfs/dbraw/zinc/90/93/01/461909301.db2.gz ZMHVQFDVJNGWQS-UZLBHIALSA-N 3 2 341.474 3.427 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977454 461918840 /nfs/dbraw/zinc/91/88/40/461918840.db2.gz BPIORNKZOOYQMP-DLBZAZTESA-N 2 2 332.492 3.329 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977454 461918845 /nfs/dbraw/zinc/91/88/45/461918845.db2.gz BPIORNKZOOYQMP-DLBZAZTESA-N 2 2 332.492 3.329 20 0 EGADLP Fc1cc(Br)cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647990370 461926905 /nfs/dbraw/zinc/92/69/05/461926905.db2.gz RPULYOURHSSQLO-NHYWBVRUSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)c1 ZINC000647990370 461926912 /nfs/dbraw/zinc/92/69/12/461926912.db2.gz RPULYOURHSSQLO-NHYWBVRUSA-N 2 2 327.241 3.335 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000660694773 461927512 /nfs/dbraw/zinc/92/75/12/461927512.db2.gz HHMAGXQFXBSBIT-GOSISDBHSA-N 2 2 336.907 3.400 20 0 EGADLP CC[C@@H](OCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1)c1ccccc1 ZINC000660696703 461928850 /nfs/dbraw/zinc/92/88/50/461928850.db2.gz UIBKDMBQFLRQTQ-HXUWFJFHSA-N 2 2 348.531 3.227 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639489107 461950817 /nfs/dbraw/zinc/95/08/17/461950817.db2.gz NANUOQPUWDIZOT-OAHLLOKOSA-N 2 2 336.439 3.273 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639489107 461950822 /nfs/dbraw/zinc/95/08/22/461950822.db2.gz NANUOQPUWDIZOT-OAHLLOKOSA-N 2 2 336.439 3.273 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)n1-c1ccccc1 ZINC000644420773 461951518 /nfs/dbraw/zinc/95/15/18/461951518.db2.gz CSOTZAZMDIVLEF-XJKSGUPXSA-N 2 2 339.361 3.116 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2cccc(F)c2)n1C ZINC000648050994 461958566 /nfs/dbraw/zinc/95/85/66/461958566.db2.gz FQIRIRTZVJPHSO-LJQANCHMSA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2cccc(F)c2)n1C ZINC000648050994 461958570 /nfs/dbraw/zinc/95/85/70/461958570.db2.gz FQIRIRTZVJPHSO-LJQANCHMSA-N 2 2 330.451 3.222 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)Nc1cccnc1)c1ccccc1 ZINC000644546140 461979405 /nfs/dbraw/zinc/97/94/05/461979405.db2.gz VJPKBPYUEFZODO-MRXNPFEDSA-N 2 2 340.471 3.129 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)[N@H+](C)Cc1ccccc1 ZINC000644560786 461986050 /nfs/dbraw/zinc/98/60/50/461986050.db2.gz RODQOEQDFFCONT-INIZCTEOSA-N 2 2 343.446 3.264 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccccc1 ZINC000644560786 461986055 /nfs/dbraw/zinc/98/60/55/461986055.db2.gz RODQOEQDFFCONT-INIZCTEOSA-N 2 2 343.446 3.264 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000644569461 461989555 /nfs/dbraw/zinc/98/95/55/461989555.db2.gz QVOYIRXSBLWZQM-JKSUJKDBSA-N 2 2 344.421 3.073 20 0 EGADLP CC1CCN([C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)c2cccs2)CC1 ZINC000657289401 462019609 /nfs/dbraw/zinc/01/96/09/462019609.db2.gz GTJANFKLXXVIFV-KRWDZBQOSA-N 2 2 344.528 3.454 20 0 EGADLP FC(F)(F)COCc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657304378 462031791 /nfs/dbraw/zinc/03/17/91/462031791.db2.gz GLNDHICMMFNBJJ-UHFFFAOYSA-N 2 2 339.361 3.198 20 0 EGADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657310723 462034618 /nfs/dbraw/zinc/03/46/18/462034618.db2.gz RSACVWKXSNAZOU-UHFFFAOYSA-N 3 2 338.499 3.351 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657312805 462038364 /nfs/dbraw/zinc/03/83/64/462038364.db2.gz MOQIEJSPLWHCAZ-AWEZNQCLSA-N 2 2 329.444 3.478 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+]CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000667345703 462050049 /nfs/dbraw/zinc/05/00/49/462050049.db2.gz OJAQRRSEPRFMRR-HZPDHXFCSA-N 2 2 345.491 3.032 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(OC3CCCCC3)nc1)CCC2 ZINC000657339631 462058667 /nfs/dbraw/zinc/05/86/67/462058667.db2.gz WUZXMCITYCMWRE-UHFFFAOYSA-N 2 2 326.444 3.226 20 0 EGADLP Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382409 462085843 /nfs/dbraw/zinc/08/58/43/462085843.db2.gz JVTXVMJBDSEDQG-YLJYHZDGSA-N 2 2 325.456 3.395 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388172 462091481 /nfs/dbraw/zinc/09/14/81/462091481.db2.gz GWVBIGMFQYZOHM-QFBILLFUSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388172 462091485 /nfs/dbraw/zinc/09/14/85/462091485.db2.gz GWVBIGMFQYZOHM-QFBILLFUSA-N 2 2 338.499 3.440 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661090549 462097446 /nfs/dbraw/zinc/09/74/46/462097446.db2.gz BEGJEDMGNYGGCV-NRFANRHFSA-N 2 2 335.451 3.216 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661090549 462097449 /nfs/dbraw/zinc/09/74/49/462097449.db2.gz BEGJEDMGNYGGCV-NRFANRHFSA-N 2 2 335.451 3.216 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000648400867 462101334 /nfs/dbraw/zinc/10/13/34/462101334.db2.gz FTZHVAKXNIBAGY-NLWGTHIKSA-N 2 2 332.488 3.379 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000648409855 462104703 /nfs/dbraw/zinc/10/47/03/462104703.db2.gz BIPMOQDRHGDQAI-CTNGQTDRSA-N 2 2 345.531 3.054 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000648409858 462104908 /nfs/dbraw/zinc/10/49/08/462104908.db2.gz BIPMOQDRHGDQAI-TZIWHRDSSA-N 2 2 345.531 3.054 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000654312127 462155884 /nfs/dbraw/zinc/15/58/84/462155884.db2.gz NBOZZCYACNXWFG-SQNIBIBYSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000654312127 462155889 /nfs/dbraw/zinc/15/58/89/462155889.db2.gz NBOZZCYACNXWFG-SQNIBIBYSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000654314533 462158383 /nfs/dbraw/zinc/15/83/83/462158383.db2.gz NTZUBPUFYYPECK-BZSNNMDCSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000654314533 462158388 /nfs/dbraw/zinc/15/83/88/462158388.db2.gz NTZUBPUFYYPECK-BZSNNMDCSA-N 2 2 349.906 3.076 20 0 EGADLP CO[C@](C)(C[NH2+]Cc1cccc2[nH+]ccn21)COCc1ccccc1 ZINC000657591937 462194959 /nfs/dbraw/zinc/19/49/59/462194959.db2.gz OLFAWQRJPKOSQR-HXUWFJFHSA-N 2 2 339.439 3.046 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000639987352 462206830 /nfs/dbraw/zinc/20/68/30/462206830.db2.gz BNUBOTWPUNCMIC-SFHVURJKSA-N 2 2 343.515 3.032 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000648759312 462265549 /nfs/dbraw/zinc/26/55/49/462265549.db2.gz YNNILILTNFRDLM-MAUKXSAKSA-N 2 2 340.452 3.339 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000665258850 462372825 /nfs/dbraw/zinc/37/28/25/462372825.db2.gz NFRPTMWUUSEMQN-OTWHNJEPSA-N 2 2 325.431 3.333 20 0 EGADLP c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n(CC2CC2)n1 ZINC000668084635 462412939 /nfs/dbraw/zinc/41/29/39/462412939.db2.gz RCZHXPBSBHQGOF-UHFFFAOYSA-N 2 2 339.487 3.206 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140657 462447573 /nfs/dbraw/zinc/44/75/73/462447573.db2.gz YVTBPCSPWZATHE-BBWFWOEESA-N 2 2 348.487 3.380 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140657 462447575 /nfs/dbraw/zinc/44/75/75/462447575.db2.gz YVTBPCSPWZATHE-BBWFWOEESA-N 2 2 348.487 3.380 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151540 462452801 /nfs/dbraw/zinc/45/28/01/462452801.db2.gz VSSLVLFSNFRLGZ-DLBZAZTESA-N 2 2 348.487 3.237 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151540 462452806 /nfs/dbraw/zinc/45/28/06/462452806.db2.gz VSSLVLFSNFRLGZ-DLBZAZTESA-N 2 2 348.487 3.237 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286938 462455386 /nfs/dbraw/zinc/45/53/86/462455386.db2.gz DMQRUNOAELEMPJ-KSSFIOAISA-N 2 2 330.476 3.105 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286938 462455390 /nfs/dbraw/zinc/45/53/90/462455390.db2.gz DMQRUNOAELEMPJ-KSSFIOAISA-N 2 2 330.476 3.105 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288648 462458279 /nfs/dbraw/zinc/45/82/79/462458279.db2.gz XCCGPVZQEIBORH-FUHWJXTLSA-N 2 2 342.487 3.134 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288648 462458285 /nfs/dbraw/zinc/45/82/85/462458285.db2.gz XCCGPVZQEIBORH-FUHWJXTLSA-N 2 2 342.487 3.134 20 0 EGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cncc(F)c1 ZINC000164403326 533832037 /nfs/dbraw/zinc/83/20/37/533832037.db2.gz PTQZFCGJUJFTTF-INIZCTEOSA-N 2 2 335.467 3.154 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3cccc(O)c3)c2cc1C ZINC000181515923 534138603 /nfs/dbraw/zinc/13/86/03/534138603.db2.gz PJUUHQWYWVIEHO-YJBOKZPZSA-N 2 2 339.439 3.070 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000181950574 534167082 /nfs/dbraw/zinc/16/70/82/534167082.db2.gz MZKJMXHQKQAUPZ-KRWDZBQOSA-N 2 2 334.435 3.063 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000181950574 534167089 /nfs/dbraw/zinc/16/70/89/534167089.db2.gz MZKJMXHQKQAUPZ-KRWDZBQOSA-N 2 2 334.435 3.063 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000183546575 526399798 /nfs/dbraw/zinc/39/97/98/526399798.db2.gz SQVRPZWCMDUFPL-MRXNPFEDSA-N 2 2 348.491 3.263 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000191301139 527733003 /nfs/dbraw/zinc/73/30/03/527733003.db2.gz CANONWSPZXVMMZ-UHFFFAOYSA-N 2 2 330.451 3.033 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccon2)cc1 ZINC000181235692 528431973 /nfs/dbraw/zinc/43/19/73/528431973.db2.gz KAPMBLWLZVLQEK-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccon2)cc1 ZINC000181235692 528431978 /nfs/dbraw/zinc/43/19/78/528431978.db2.gz KAPMBLWLZVLQEK-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1)C(C)C ZINC000153409107 528775108 /nfs/dbraw/zinc/77/51/08/528775108.db2.gz WZMXTDDLAOVAIK-KRWDZBQOSA-N 2 2 342.487 3.180 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1)C(C)C ZINC000153409107 528775117 /nfs/dbraw/zinc/77/51/17/528775117.db2.gz WZMXTDDLAOVAIK-KRWDZBQOSA-N 2 2 342.487 3.180 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC000185200985 534928035 /nfs/dbraw/zinc/92/80/35/534928035.db2.gz MACWWECZNZNETM-UXHICEINSA-N 2 2 346.515 3.201 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000361571524 535027319 /nfs/dbraw/zinc/02/73/19/535027319.db2.gz MAHCFIHKYDNKJZ-IBGZPJMESA-N 2 2 330.520 3.090 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000361571524 535027330 /nfs/dbraw/zinc/02/73/30/535027330.db2.gz MAHCFIHKYDNKJZ-IBGZPJMESA-N 2 2 330.520 3.090 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000361571524 535027332 /nfs/dbraw/zinc/02/73/32/535027332.db2.gz MAHCFIHKYDNKJZ-IBGZPJMESA-N 2 2 330.520 3.090 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000361571524 535027335 /nfs/dbraw/zinc/02/73/35/535027335.db2.gz MAHCFIHKYDNKJZ-IBGZPJMESA-N 2 2 330.520 3.090 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351476523 535095476 /nfs/dbraw/zinc/09/54/76/535095476.db2.gz KZCBGOPXZCOYRJ-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351476523 535095479 /nfs/dbraw/zinc/09/54/79/535095479.db2.gz KZCBGOPXZCOYRJ-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351476523 535095481 /nfs/dbraw/zinc/09/54/81/535095481.db2.gz KZCBGOPXZCOYRJ-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351476523 535095483 /nfs/dbraw/zinc/09/54/83/535095483.db2.gz KZCBGOPXZCOYRJ-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000236599067 535162076 /nfs/dbraw/zinc/16/20/76/535162076.db2.gz ZYVOTMMOQMENEG-UHFFFAOYSA-N 3 2 329.532 3.156 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353334400 535578226 /nfs/dbraw/zinc/57/82/26/535578226.db2.gz YQTAZMHDWJEDBA-RDJZCZTQSA-N 2 2 343.475 3.356 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C(F)F)c3)CC2)c1 ZINC000348024865 537117104 /nfs/dbraw/zinc/11/71/04/537117104.db2.gz AWKSZHVXXRRZLH-UHFFFAOYSA-N 2 2 333.382 3.350 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155437266 546903165 /nfs/dbraw/zinc/90/31/65/546903165.db2.gz FTFAQTADSKCWOV-HRAATJIYSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000155437266 546903167 /nfs/dbraw/zinc/90/31/67/546903167.db2.gz FTFAQTADSKCWOV-HRAATJIYSA-N 2 2 337.467 3.398 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000155699617 546905642 /nfs/dbraw/zinc/90/56/42/546905642.db2.gz LNVLRWBLZBWSNX-QGZVFWFLSA-N 3 2 329.532 3.143 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000155699617 546905646 /nfs/dbraw/zinc/90/56/46/546905646.db2.gz LNVLRWBLZBWSNX-QGZVFWFLSA-N 3 2 329.532 3.143 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)c1 ZINC000156282973 546910662 /nfs/dbraw/zinc/91/06/62/546910662.db2.gz GAJJYLPPVVPRQU-OAHLLOKOSA-N 2 2 336.439 3.494 20 0 EGADLP CN(C)c1nc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000157058290 546916220 /nfs/dbraw/zinc/91/62/20/546916220.db2.gz UIFYLLWVQDZXMI-UHFFFAOYSA-N 2 2 344.528 3.006 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000163726608 546974637 /nfs/dbraw/zinc/97/46/37/546974637.db2.gz DUHMIXUWRLHHCE-NRFANRHFSA-N 2 2 340.442 3.435 20 0 EGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000180591255 547058724 /nfs/dbraw/zinc/05/87/24/547058724.db2.gz MHLGZMQPVSHAGC-JKSUJKDBSA-N 2 2 342.487 3.269 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000189001488 547153969 /nfs/dbraw/zinc/15/39/69/547153969.db2.gz JUHQQHOZOUCDKA-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000189001488 547153975 /nfs/dbraw/zinc/15/39/75/547153975.db2.gz JUHQQHOZOUCDKA-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1)c1ccccc1 ZINC000193257086 547211233 /nfs/dbraw/zinc/21/12/33/547211233.db2.gz SSTGXUGIOZOVKI-INIZCTEOSA-N 2 2 340.471 3.122 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC000193257086 547211235 /nfs/dbraw/zinc/21/12/35/547211235.db2.gz SSTGXUGIOZOVKI-INIZCTEOSA-N 2 2 340.471 3.122 20 0 EGADLP CCCCN(C(=O)CCc1c[nH+]c[nH]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000193154972 547211863 /nfs/dbraw/zinc/21/18/63/547211863.db2.gz JGLINYAIRFBBMW-UHFFFAOYSA-N 2 2 334.508 3.280 20 0 EGADLP CCCCN(C(=O)CCc1c[nH]c[nH+]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000193154972 547211868 /nfs/dbraw/zinc/21/18/68/547211868.db2.gz JGLINYAIRFBBMW-UHFFFAOYSA-N 2 2 334.508 3.280 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@@H](C)O1 ZINC000248061030 547295611 /nfs/dbraw/zinc/29/56/11/547295611.db2.gz YJMCNECQUTXCHV-CPUCHLNUSA-N 2 2 338.492 3.452 20 0 EGADLP [NH3+]CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000261545479 547324365 /nfs/dbraw/zinc/32/43/65/547324365.db2.gz KCPPXUGVGFHUOV-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP [NH3+]CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccccc1 ZINC000261545479 547324369 /nfs/dbraw/zinc/32/43/69/547324369.db2.gz KCPPXUGVGFHUOV-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP C[C@@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282418 547574643 /nfs/dbraw/zinc/57/46/43/547574643.db2.gz SNBVJTHTWHXMDF-IAGOWNOFSA-N 2 2 340.471 3.314 20 0 EGADLP C[C@@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282418 547574646 /nfs/dbraw/zinc/57/46/46/547574646.db2.gz SNBVJTHTWHXMDF-IAGOWNOFSA-N 2 2 340.471 3.314 20 0 EGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331291 547705606 /nfs/dbraw/zinc/70/56/06/547705606.db2.gz CPWQABJPIJVJBW-PRLABOORSA-N 2 2 336.442 3.444 20 0 EGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331291 547705610 /nfs/dbraw/zinc/70/56/10/547705610.db2.gz CPWQABJPIJVJBW-PRLABOORSA-N 2 2 336.442 3.444 20 0 EGADLP COc1ccc(OCc2nc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414924034 547861583 /nfs/dbraw/zinc/86/15/83/547861583.db2.gz JIEUCTYBMJXWLL-KGLIPLIRSA-N 2 2 347.484 3.090 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949053 547885702 /nfs/dbraw/zinc/88/57/02/547885702.db2.gz GENJVJVKRYDFRS-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949053 547885704 /nfs/dbraw/zinc/88/57/04/547885704.db2.gz GENJVJVKRYDFRS-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425949053 547885709 /nfs/dbraw/zinc/88/57/09/547885709.db2.gz GENJVJVKRYDFRS-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425949053 547885711 /nfs/dbraw/zinc/88/57/11/547885711.db2.gz GENJVJVKRYDFRS-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC000675881707 548996221 /nfs/dbraw/zinc/99/62/21/548996221.db2.gz MRZOFEXLKWNTKD-RDJZCZTQSA-N 2 2 336.863 3.007 20 0 EGADLP Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000676039510 549024889 /nfs/dbraw/zinc/02/48/89/549024889.db2.gz KDBDEOOHDNEWKC-ZDUSSCGKSA-N 2 2 345.353 3.048 20 0 EGADLP Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)cc1F ZINC000676039510 549024891 /nfs/dbraw/zinc/02/48/91/549024891.db2.gz KDBDEOOHDNEWKC-ZDUSSCGKSA-N 2 2 345.353 3.048 20 0 EGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000676236090 549058475 /nfs/dbraw/zinc/05/84/75/549058475.db2.gz VHSOEHYYTOGEBD-QUCCMNQESA-N 2 2 326.484 3.463 20 0 EGADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000676236090 549058480 /nfs/dbraw/zinc/05/84/80/549058480.db2.gz VHSOEHYYTOGEBD-QUCCMNQESA-N 2 2 326.484 3.463 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)s1 ZINC000676839819 549165567 /nfs/dbraw/zinc/16/55/67/549165567.db2.gz RUTGIEUFLAAWKP-CYBMUJFWSA-N 2 2 330.501 3.470 20 0 EGADLP COc1ccc2[nH+]c(N3CC[C@H](C4CC[NH+](C)CC4)C3)ccc2c1 ZINC000677308303 549246770 /nfs/dbraw/zinc/24/67/70/549246770.db2.gz CJKUTCBCQRPGQJ-KRWDZBQOSA-N 2 2 325.456 3.412 20 0 EGADLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000678126985 549403377 /nfs/dbraw/zinc/40/33/77/549403377.db2.gz FSOBJPFQSVWCGW-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000678281214 549458047 /nfs/dbraw/zinc/45/80/47/549458047.db2.gz VCSCKLNTTYOBNV-OAQYLSRUSA-N 2 2 340.467 3.201 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000678281214 549458048 /nfs/dbraw/zinc/45/80/48/549458048.db2.gz VCSCKLNTTYOBNV-OAQYLSRUSA-N 2 2 340.467 3.201 20 0 EGADLP CCN1C[C@H](C[N@H+](C)Cc2cccc3[nH+]ccn32)Oc2ccccc21 ZINC000678811187 549565946 /nfs/dbraw/zinc/56/59/46/549565946.db2.gz KSOOFYQJYJRAAH-KRWDZBQOSA-N 2 2 336.439 3.054 20 0 EGADLP CCN1C[C@H](C[N@@H+](C)Cc2cccc3[nH+]ccn32)Oc2ccccc21 ZINC000678811187 549565951 /nfs/dbraw/zinc/56/59/51/549565951.db2.gz KSOOFYQJYJRAAH-KRWDZBQOSA-N 2 2 336.439 3.054 20 0 EGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930212 549598315 /nfs/dbraw/zinc/59/83/15/549598315.db2.gz HJNXMNYCHMKKJL-MOPGFXCFSA-N 2 2 330.516 3.426 20 0 EGADLP CC(C)[C@H](O)C1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930212 549598320 /nfs/dbraw/zinc/59/83/20/549598320.db2.gz HJNXMNYCHMKKJL-MOPGFXCFSA-N 2 2 330.516 3.426 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679327390 549688910 /nfs/dbraw/zinc/68/89/10/549688910.db2.gz KFNUCJUJMQNOPI-IEBWSBKVSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327390 549688912 /nfs/dbraw/zinc/68/89/12/549688912.db2.gz KFNUCJUJMQNOPI-IEBWSBKVSA-N 2 2 326.488 3.464 20 0 EGADLP C[C@@H](CCCCO)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000679339948 549691336 /nfs/dbraw/zinc/69/13/36/549691336.db2.gz GSANSOCWYJETCX-ROUUACIJSA-N 2 2 334.504 3.027 20 0 EGADLP CCc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nc(C)[nH+]1 ZINC000679838939 549779253 /nfs/dbraw/zinc/77/92/53/549779253.db2.gz CWVZADHNJYMFDC-CQSZACIVSA-N 2 2 325.460 3.380 20 0 EGADLP C[C@H](c1cccc(N[C@H](c2[nH+]ccn2C)C2CC2)c1)[NH+]1CCOCC1 ZINC000681563203 550014492 /nfs/dbraw/zinc/01/44/92/550014492.db2.gz RDDATAPUIQBCTH-BEFAXECRSA-N 2 2 340.471 3.377 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000681698858 550027871 /nfs/dbraw/zinc/02/78/71/550027871.db2.gz LAGSAZXHJNTBCN-GDBMZVCRSA-N 2 2 329.444 3.174 20 0 EGADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000682406430 550095600 /nfs/dbraw/zinc/09/56/00/550095600.db2.gz AZRRBFGCYDJAIJ-KRWDZBQOSA-N 2 2 343.496 3.335 20 0 EGADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000682406430 550095602 /nfs/dbraw/zinc/09/56/02/550095602.db2.gz AZRRBFGCYDJAIJ-KRWDZBQOSA-N 2 2 343.496 3.335 20 0 EGADLP COc1cccc2c(NCC[NH+]3CCC(OC)CC3)c(C)c[nH+]c12 ZINC000682465500 550102901 /nfs/dbraw/zinc/10/29/01/550102901.db2.gz MZWCLQANTFXQQJ-UHFFFAOYSA-N 2 2 329.444 3.075 20 0 EGADLP Brc1cccc2c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cccc12 ZINC000683218364 550205013 /nfs/dbraw/zinc/20/50/13/550205013.db2.gz VSNLTFUFRXPIPQ-OKILXGFUSA-N 2 2 331.257 3.254 20 0 EGADLP Brc1cccc2c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cccc12 ZINC000683218364 550205015 /nfs/dbraw/zinc/20/50/15/550205015.db2.gz VSNLTFUFRXPIPQ-OKILXGFUSA-N 2 2 331.257 3.254 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nn(C)c3ccccc23)CC1 ZINC000683726586 550254671 /nfs/dbraw/zinc/25/46/71/550254671.db2.gz GCJBDOICWUBJRR-UHFFFAOYSA-N 2 2 336.439 3.320 20 0 EGADLP CCn1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1=O ZINC000683931374 550275542 /nfs/dbraw/zinc/27/55/42/550275542.db2.gz ZYGGKHJVNWZINE-IBGZPJMESA-N 2 2 339.483 3.011 20 0 EGADLP CCn1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1=O ZINC000683931374 550275543 /nfs/dbraw/zinc/27/55/43/550275543.db2.gz ZYGGKHJVNWZINE-IBGZPJMESA-N 2 2 339.483 3.011 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)[nH+]c12 ZINC000684114221 550293058 /nfs/dbraw/zinc/29/30/58/550293058.db2.gz SSVFZWSKAHUNDP-IRXDYDNUSA-N 2 2 337.471 3.235 20 0 EGADLP c1c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)onc1-c1ccccc1 ZINC000685412745 550413988 /nfs/dbraw/zinc/41/39/88/550413988.db2.gz QZYFDQWAXQPXRA-SFHVURJKSA-N 2 2 341.455 3.028 20 0 EGADLP c1c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)onc1-c1ccccc1 ZINC000685412745 550413991 /nfs/dbraw/zinc/41/39/91/550413991.db2.gz QZYFDQWAXQPXRA-SFHVURJKSA-N 2 2 341.455 3.028 20 0 EGADLP C[NH+](C)CCN(Cc1c[nH+]c2ccccn12)Cc1ccc(F)cc1F ZINC000685455442 550418252 /nfs/dbraw/zinc/41/82/52/550418252.db2.gz DYRVQBSSWLFGOQ-UHFFFAOYSA-N 2 2 344.409 3.176 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000685876593 550450899 /nfs/dbraw/zinc/45/08/99/550450899.db2.gz OECXRHZFCNODFN-SFHVURJKSA-N 2 2 340.471 3.332 20 0 EGADLP c1coc([C@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCCC2)c1 ZINC000730106579 574920118 /nfs/dbraw/zinc/92/01/18/574920118.db2.gz KXJXZEVEDSZHIU-INIZCTEOSA-N 2 2 341.459 3.309 20 0 EGADLP Cc1c(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)sc2nc(C)nc(C)c12 ZINC000731041845 575046459 /nfs/dbraw/zinc/04/64/59/575046459.db2.gz ZYOFOTCGYFRSRV-OAHLLOKOSA-N 2 2 330.501 3.190 20 0 EGADLP Cc1c(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)sc2nc(C)nc(C)c12 ZINC000731041845 575046463 /nfs/dbraw/zinc/04/64/63/575046463.db2.gz ZYOFOTCGYFRSRV-OAHLLOKOSA-N 2 2 330.501 3.190 20 0 EGADLP CCCOc1c(Cl)cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000678343641 576168125 /nfs/dbraw/zinc/16/81/25/576168125.db2.gz XIBNSOZWWCNHEY-GJZGRUSLSA-N 2 2 338.879 3.179 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882093 576633332 /nfs/dbraw/zinc/63/33/32/576633332.db2.gz GEZONRPWZAKNQG-SWLSCSKDSA-N 2 2 349.910 3.235 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882093 576633335 /nfs/dbraw/zinc/63/33/35/576633335.db2.gz GEZONRPWZAKNQG-SWLSCSKDSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882093 576633338 /nfs/dbraw/zinc/63/33/38/576633338.db2.gz GEZONRPWZAKNQG-SWLSCSKDSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882093 576633341 /nfs/dbraw/zinc/63/33/41/576633341.db2.gz GEZONRPWZAKNQG-SWLSCSKDSA-N 2 2 349.910 3.235 20 0 EGADLP C[C@H](C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000695190941 1298157819 /nfs/dbraw/zinc/15/78/19/1298157819.db2.gz FAFOSIRMRTZVON-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000695190941 1298157824 /nfs/dbraw/zinc/15/78/24/1298157824.db2.gz FAFOSIRMRTZVON-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cn1 ZINC000048782442 1291618669 /nfs/dbraw/zinc/61/86/69/1291618669.db2.gz LOZHQWFRHWEUQS-UHFFFAOYSA-N 2 2 344.422 3.256 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)cn1 ZINC000048782524 1291619343 /nfs/dbraw/zinc/61/93/43/1291619343.db2.gz BOYKLBONHIDGMS-UHFFFAOYSA-N 2 2 344.422 3.051 20 0 EGADLP c1cnc2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cc2c1 ZINC000069747557 1292249759 /nfs/dbraw/zinc/24/97/59/1292249759.db2.gz YPBBMXUDUZCSIS-UHFFFAOYSA-N 2 2 347.462 3.357 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000079000696 1292539332 /nfs/dbraw/zinc/53/93/32/1292539332.db2.gz JMIBIPAKTQFVIP-IBGZPJMESA-N 2 2 337.471 3.332 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1nc(Br)cs1 ZINC000834616169 1293123790 /nfs/dbraw/zinc/12/37/90/1293123790.db2.gz MDVDOSURJXGCRG-SNVBAGLBSA-N 2 2 341.278 3.453 20 0 EGADLP CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000123162401 1293435359 /nfs/dbraw/zinc/43/53/59/1293435359.db2.gz RCYALAVDXFYPKV-WOJBJXKFSA-N 2 2 331.504 3.269 20 0 EGADLP c1cn(-c2ccccc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)c[nH+]1 ZINC000123697921 1293452816 /nfs/dbraw/zinc/45/28/16/1293452816.db2.gz XMTRVKFSSMHCJY-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000130769884 1293668480 /nfs/dbraw/zinc/66/84/80/1293668480.db2.gz FKYPGSQPDDUYKP-GFCCVEGCSA-N 2 2 340.393 3.024 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000130769884 1293668482 /nfs/dbraw/zinc/66/84/82/1293668482.db2.gz FKYPGSQPDDUYKP-GFCCVEGCSA-N 2 2 340.393 3.024 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc(C(C)C)s2)cn1 ZINC000131306127 1293686703 /nfs/dbraw/zinc/68/67/03/1293686703.db2.gz JCMHYUPVVQXHOZ-UHFFFAOYSA-N 2 2 327.457 3.445 20 0 EGADLP C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155129562 1294085573 /nfs/dbraw/zinc/08/55/73/1294085573.db2.gz HJLXGYZARHYFJR-AWEZNQCLSA-N 2 2 334.414 3.252 20 0 EGADLP Cc1noc(C)c1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000156025391 1294124066 /nfs/dbraw/zinc/12/40/66/1294124066.db2.gz DSBRPDZBZDCVIE-UHFFFAOYSA-N 2 2 342.487 3.159 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158691615 1294211565 /nfs/dbraw/zinc/21/15/65/1294211565.db2.gz AZOZTMARFMAKCV-OAHLLOKOSA-N 2 2 344.459 3.390 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(C)CCCC[C@@H]3O)CC2)cc1 ZINC000159217017 1294229280 /nfs/dbraw/zinc/22/92/80/1294229280.db2.gz YXCGQNIFWSAYFK-LEWJYISDSA-N 2 2 345.531 3.252 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000180728439 1294910003 /nfs/dbraw/zinc/91/00/03/1294910003.db2.gz CQHBOWPPIPXTPZ-JKSUJKDBSA-N 2 2 348.491 3.167 20 0 EGADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000182694260 1295067705 /nfs/dbraw/zinc/06/77/05/1295067705.db2.gz GSWOENKCMYNMEK-SJORKVTESA-N 2 2 341.540 3.342 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000236866416 1296206586 /nfs/dbraw/zinc/20/65/86/1296206586.db2.gz RYVSMGAZSUKVPP-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000236866416 1296206591 /nfs/dbraw/zinc/20/65/91/1296206591.db2.gz RYVSMGAZSUKVPP-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886668 1296595076 /nfs/dbraw/zinc/59/50/76/1296595076.db2.gz QMUYNBNYFRUUJY-HXUWFJFHSA-N 2 2 343.515 3.343 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(O)ccc1F ZINC000872025327 1296668937 /nfs/dbraw/zinc/66/89/37/1296668937.db2.gz KUPKCRFPUMGBHW-HNNXBMFYSA-N 2 2 344.430 3.214 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2F)[C@H](C)C1 ZINC000872035683 1296685140 /nfs/dbraw/zinc/68/51/40/1296685140.db2.gz PXJQLOSUCUYVEM-VYDXJSESSA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2F)[C@H](C)C1 ZINC000872035683 1296685158 /nfs/dbraw/zinc/68/51/58/1296685158.db2.gz PXJQLOSUCUYVEM-VYDXJSESSA-N 2 2 338.467 3.319 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000873006347 1297220517 /nfs/dbraw/zinc/22/05/17/1297220517.db2.gz FPFMEJYFTZHNED-UHFFFAOYSA-N 2 2 326.213 3.273 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000326341470 1297234485 /nfs/dbraw/zinc/23/44/85/1297234485.db2.gz RZEQEFUOMVEJTP-WBVHZDCISA-N 2 2 328.460 3.305 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365648315 1297508148 /nfs/dbraw/zinc/50/81/48/1297508148.db2.gz IJHRGSPSMXZMFF-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365648315 1297508157 /nfs/dbraw/zinc/50/81/57/1297508157.db2.gz IJHRGSPSMXZMFF-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000378957827 1297530887 /nfs/dbraw/zinc/53/08/87/1297530887.db2.gz NODBZZMVEYKUDD-KGLIPLIRSA-N 2 2 346.418 3.251 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000378957827 1297530897 /nfs/dbraw/zinc/53/08/97/1297530897.db2.gz NODBZZMVEYKUDD-KGLIPLIRSA-N 2 2 346.418 3.251 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000382615662 1297561518 /nfs/dbraw/zinc/56/15/18/1297561518.db2.gz YIBGDBZZOYSHPS-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029224 1298254343 /nfs/dbraw/zinc/25/43/43/1298254343.db2.gz UVODCPYQSDNKRA-MJGOQNOKSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029224 1298254355 /nfs/dbraw/zinc/25/43/55/1298254355.db2.gz UVODCPYQSDNKRA-MJGOQNOKSA-N 2 2 326.488 3.373 20 0 EGADLP c1cn(CCC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)c[nH+]1 ZINC000746415127 1298585764 /nfs/dbraw/zinc/58/57/64/1298585764.db2.gz LPHLMDGBZZDXNV-UHFFFAOYSA-N 2 2 337.452 3.439 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877744121 1299520705 /nfs/dbraw/zinc/52/07/05/1299520705.db2.gz OUGYXHFQXVKIJD-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877744121 1299520710 /nfs/dbraw/zinc/52/07/10/1299520710.db2.gz OUGYXHFQXVKIJD-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877744121 1299520713 /nfs/dbraw/zinc/52/07/13/1299520713.db2.gz OUGYXHFQXVKIJD-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1OC ZINC000877744121 1299520718 /nfs/dbraw/zinc/52/07/18/1299520718.db2.gz OUGYXHFQXVKIJD-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP CN(Cc1c[nH+]c2n1CCC2)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000877773797 1299550155 /nfs/dbraw/zinc/55/01/55/1299550155.db2.gz ABVPMCCYAGWBAP-LJQANCHMSA-N 2 2 338.499 3.316 20 0 EGADLP CN(Cc1c[nH+]c2n1CCC2)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000877773797 1299550160 /nfs/dbraw/zinc/55/01/60/1299550160.db2.gz ABVPMCCYAGWBAP-LJQANCHMSA-N 2 2 338.499 3.316 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@@H+]1C ZINC000756127081 1300443654 /nfs/dbraw/zinc/44/36/54/1300443654.db2.gz HETXMDNUAMILGW-ZFWWWQNUSA-N 2 2 334.464 3.001 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@H+]1C ZINC000756127081 1300443660 /nfs/dbraw/zinc/44/36/60/1300443660.db2.gz HETXMDNUAMILGW-ZFWWWQNUSA-N 2 2 334.464 3.001 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc(=O)oc2c1 ZINC000880475026 1301138328 /nfs/dbraw/zinc/13/83/28/1301138328.db2.gz RNSKRWWZSJMEFS-UHFFFAOYSA-N 2 2 326.440 3.162 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882949756 1302178499 /nfs/dbraw/zinc/17/84/99/1302178499.db2.gz GUJVMMNBBAUCTR-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(O)cc3)CC2)cc1 ZINC000765618721 1302289939 /nfs/dbraw/zinc/28/99/39/1302289939.db2.gz GDCKXNFPHLKRPH-UHFFFAOYSA-N 2 2 325.456 3.217 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000765976368 1302360793 /nfs/dbraw/zinc/36/07/93/1302360793.db2.gz OAPUIYBQUUYBGG-XJKSGUPXSA-N 2 2 337.533 3.308 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CC(C(F)F)C3)CC2)c1 ZINC000768675842 1302959056 /nfs/dbraw/zinc/95/90/56/1302959056.db2.gz MUTMDCKWRDTEJU-UHFFFAOYSA-N 2 2 337.458 3.140 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000885983405 1303308750 /nfs/dbraw/zinc/30/87/50/1303308750.db2.gz FPZKJVYDVRTTQM-PKOBYXMFSA-N 2 2 346.515 3.434 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)NCC3CCCCC3)CC2)[nH+]c1C ZINC000886670511 1303550208 /nfs/dbraw/zinc/55/02/08/1303550208.db2.gz QOXNWQOBWAWNEM-MRXNPFEDSA-N 2 2 346.519 3.291 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)NC3CCCCCC3)CC2)[nH+]c1C ZINC000886672614 1303551084 /nfs/dbraw/zinc/55/10/84/1303551084.db2.gz RVTMDTCXNUWBLR-UHFFFAOYSA-N 2 2 332.492 3.045 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685951 1303561273 /nfs/dbraw/zinc/56/12/73/1303561273.db2.gz HIHFXIXDDRLNHF-GOSISDBHSA-N 2 2 333.439 3.350 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685951 1303561276 /nfs/dbraw/zinc/56/12/76/1303561276.db2.gz HIHFXIXDDRLNHF-GOSISDBHSA-N 2 2 333.439 3.350 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775378861 1303949839 /nfs/dbraw/zinc/94/98/39/1303949839.db2.gz NASKUGPLPHYAMT-LVQVYYBASA-N 2 2 328.591 3.466 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000775378861 1303949844 /nfs/dbraw/zinc/94/98/44/1303949844.db2.gz NASKUGPLPHYAMT-LVQVYYBASA-N 2 2 328.591 3.466 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000775420113 1303961810 /nfs/dbraw/zinc/96/18/10/1303961810.db2.gz GIUDTENGYXKJSX-MRXNPFEDSA-N 2 2 338.455 3.080 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000775622375 1303996812 /nfs/dbraw/zinc/99/68/12/1303996812.db2.gz BGEJZKHLQKLGRO-WCXIOVBPSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000775622375 1303996817 /nfs/dbraw/zinc/99/68/17/1303996817.db2.gz BGEJZKHLQKLGRO-WCXIOVBPSA-N 2 2 339.524 3.142 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000775691444 1304016877 /nfs/dbraw/zinc/01/68/77/1304016877.db2.gz VDGSHGJVYJINJN-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000775691444 1304016881 /nfs/dbraw/zinc/01/68/81/1304016881.db2.gz VDGSHGJVYJINJN-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccnc(Cl)c1 ZINC000777258829 1304277546 /nfs/dbraw/zinc/27/75/46/1304277546.db2.gz MRSIIPDUDXOOEI-CZUORRHYSA-N 2 2 345.878 3.443 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778187272 1304413452 /nfs/dbraw/zinc/41/34/52/1304413452.db2.gz IOTUCBRNBVJNCN-CQSZACIVSA-N 2 2 341.846 3.135 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000779009491 1304518397 /nfs/dbraw/zinc/51/83/97/1304518397.db2.gz GXBJNIIRXHXRQZ-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000779009491 1304518401 /nfs/dbraw/zinc/51/84/01/1304518401.db2.gz GXBJNIIRXHXRQZ-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)CC3 ZINC000782756757 1305009355 /nfs/dbraw/zinc/00/93/55/1305009355.db2.gz GRLHOTABLBQVPH-HOTGVXAUSA-N 2 2 341.499 3.498 20 0 EGADLP C[NH+](C)C1CC[NH+](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000891666619 1305129636 /nfs/dbraw/zinc/12/96/36/1305129636.db2.gz RRASDGZHXIWMIQ-UHFFFAOYSA-N 2 2 347.503 3.237 20 0 EGADLP Cn1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C1CC1 ZINC000891921125 1305210373 /nfs/dbraw/zinc/21/03/73/1305210373.db2.gz NUULUASXQNZFOJ-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C1CC1 ZINC000891921125 1305210379 /nfs/dbraw/zinc/21/03/79/1305210379.db2.gz NUULUASXQNZFOJ-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C2CCS(=O)CC2)CCCC1)c1ccccc1 ZINC000892982783 1305638260 /nfs/dbraw/zinc/63/82/60/1305638260.db2.gz MTEBKGIOJHDKRX-CFHWWMOJSA-N 2 2 334.529 3.151 20 0 EGADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786880258 1305646627 /nfs/dbraw/zinc/64/66/27/1305646627.db2.gz LFODAFSLPSNCES-IBGZPJMESA-N 2 2 339.439 3.323 20 0 EGADLP O=C(OCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786880258 1305646635 /nfs/dbraw/zinc/64/66/35/1305646635.db2.gz LFODAFSLPSNCES-IBGZPJMESA-N 2 2 339.439 3.323 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cnn1C(C)C ZINC000786912014 1305654503 /nfs/dbraw/zinc/65/45/03/1305654503.db2.gz OSCPERGHXNYTQI-YJBOKZPZSA-N 2 2 334.508 3.066 20 0 EGADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000893098397 1305704702 /nfs/dbraw/zinc/70/47/02/1305704702.db2.gz MVVFLUXLFZAHKW-OXQOHEQNSA-N 2 2 326.488 3.354 20 0 EGADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000893098397 1305704707 /nfs/dbraw/zinc/70/47/07/1305704707.db2.gz MVVFLUXLFZAHKW-OXQOHEQNSA-N 2 2 326.488 3.354 20 0 EGADLP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000893098398 1305705003 /nfs/dbraw/zinc/70/50/03/1305705003.db2.gz MVVFLUXLFZAHKW-UZLBHIALSA-N 2 2 326.488 3.354 20 0 EGADLP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000893098398 1305705013 /nfs/dbraw/zinc/70/50/13/1305705013.db2.gz MVVFLUXLFZAHKW-UZLBHIALSA-N 2 2 326.488 3.354 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788243775 1305906583 /nfs/dbraw/zinc/90/65/83/1305906583.db2.gz KIDMYZLINPSPCF-CABCVRRESA-N 2 2 327.513 3.142 20 0 EGADLP CCc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(CC)[nH+]1 ZINC000893518482 1305945072 /nfs/dbraw/zinc/94/50/72/1305945072.db2.gz FEOZZDYZXLMEQK-UHFFFAOYSA-N 2 2 325.460 3.073 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](O)c1ccccc1 ZINC000788620754 1305983753 /nfs/dbraw/zinc/98/37/53/1305983753.db2.gz JSNNTDQTZAMKTH-RTWAWAEBSA-N 2 2 339.483 3.398 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752166 1306007745 /nfs/dbraw/zinc/00/77/45/1306007745.db2.gz BVAFIKPRXVLWPF-BEFAXECRSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752166 1306007755 /nfs/dbraw/zinc/00/77/55/1306007755.db2.gz BVAFIKPRXVLWPF-BEFAXECRSA-N 2 2 325.456 3.348 20 0 EGADLP C[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000893679624 1306024766 /nfs/dbraw/zinc/02/47/66/1306024766.db2.gz VMNGRPATXGKLQY-QGZVFWFLSA-N 2 2 326.843 3.194 20 0 EGADLP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000893679624 1306024777 /nfs/dbraw/zinc/02/47/77/1306024777.db2.gz VMNGRPATXGKLQY-QGZVFWFLSA-N 2 2 326.843 3.194 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095443 1306216795 /nfs/dbraw/zinc/21/67/95/1306216795.db2.gz QUWJIFHCMIVPGG-ICSRJNTNSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095443 1306216802 /nfs/dbraw/zinc/21/68/02/1306216802.db2.gz QUWJIFHCMIVPGG-ICSRJNTNSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095443 1306216804 /nfs/dbraw/zinc/21/68/04/1306216804.db2.gz QUWJIFHCMIVPGG-ICSRJNTNSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095443 1306216809 /nfs/dbraw/zinc/21/68/09/1306216809.db2.gz QUWJIFHCMIVPGG-ICSRJNTNSA-N 2 2 338.499 3.486 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc[nH]c(=O)c1 ZINC000791138445 1308927855 /nfs/dbraw/zinc/92/78/55/1308927855.db2.gz WAPMXJSWMOQFNK-CABCVRRESA-N 2 2 326.444 3.058 20 0 EGADLP Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685447 1309464310 /nfs/dbraw/zinc/46/43/10/1309464310.db2.gz LYLFVIDLGGRZOC-UHFFFAOYSA-N 2 2 333.307 3.425 20 0 EGADLP Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685447 1309464319 /nfs/dbraw/zinc/46/43/19/1309464319.db2.gz LYLFVIDLGGRZOC-UHFFFAOYSA-N 2 2 333.307 3.425 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000895827642 1309541141 /nfs/dbraw/zinc/54/11/41/1309541141.db2.gz NLTZHGNFNIGKOT-UHFFFAOYSA-N 2 2 328.460 3.428 20 0 EGADLP FC(F)(F)[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000795978056 1309873803 /nfs/dbraw/zinc/87/38/03/1309873803.db2.gz VEKCUGLRHWHHLD-INIZCTEOSA-N 2 2 341.421 3.083 20 0 EGADLP FC(F)(F)[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000795978056 1309873811 /nfs/dbraw/zinc/87/38/11/1309873811.db2.gz VEKCUGLRHWHHLD-INIZCTEOSA-N 2 2 341.421 3.083 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000796704012 1310068022 /nfs/dbraw/zinc/06/80/22/1310068022.db2.gz YWXLRTOFOFQPRH-WFASDCNBSA-N 2 2 335.473 3.497 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC001019562185 1317292004 /nfs/dbraw/zinc/29/20/04/1317292004.db2.gz OXVLJIUXCOVPFJ-WBVHZDCISA-N 2 2 348.450 3.057 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cc1 ZINC000806179536 1317469937 /nfs/dbraw/zinc/46/99/37/1317469937.db2.gz SZWOHDRCBLMOEY-INIZCTEOSA-N 2 2 333.545 3.454 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000902443942 1317579670 /nfs/dbraw/zinc/57/96/70/1317579670.db2.gz MPKMIJBLOXOIAN-UQIDSAAFSA-N 2 2 337.467 3.235 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn(C)nn1 ZINC000902750171 1317612689 /nfs/dbraw/zinc/61/26/89/1317612689.db2.gz BDQXCDKFMXDZQQ-ZACQAIPSSA-N 2 2 341.503 3.144 20 0 EGADLP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc1 ZINC000903211642 1317675479 /nfs/dbraw/zinc/67/54/79/1317675479.db2.gz CUNDFPLRELGEQO-VHRNVKJDSA-N 2 2 336.277 3.092 20 0 EGADLP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000903211642 1317675486 /nfs/dbraw/zinc/67/54/86/1317675486.db2.gz CUNDFPLRELGEQO-VHRNVKJDSA-N 2 2 336.277 3.092 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903726461 1317725401 /nfs/dbraw/zinc/72/54/01/1317725401.db2.gz LXEPRPDIXFQTQL-GUYCJALGSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903726461 1317725406 /nfs/dbraw/zinc/72/54/06/1317725406.db2.gz LXEPRPDIXFQTQL-GUYCJALGSA-N 2 2 341.282 3.120 20 0 EGADLP Fc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903909868 1317747595 /nfs/dbraw/zinc/74/75/95/1317747595.db2.gz HKLKDOMYKBVPKR-HKUYNNGSSA-N 2 2 343.450 3.069 20 0 EGADLP Fc1ccc([C@@H]2CCCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903909868 1317747604 /nfs/dbraw/zinc/74/76/04/1317747604.db2.gz HKLKDOMYKBVPKR-HKUYNNGSSA-N 2 2 343.450 3.069 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245218 1328720698 /nfs/dbraw/zinc/72/06/98/1328720698.db2.gz DKIRRIYVMFBGEI-QGZVFWFLSA-N 2 2 346.906 3.406 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245218 1328720703 /nfs/dbraw/zinc/72/07/03/1328720703.db2.gz DKIRRIYVMFBGEI-QGZVFWFLSA-N 2 2 346.906 3.406 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320961 1317829764 /nfs/dbraw/zinc/82/97/64/1317829764.db2.gz SDWUPRZXHIQVFB-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320961 1317829771 /nfs/dbraw/zinc/82/97/71/1317829771.db2.gz SDWUPRZXHIQVFB-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320961 1317829778 /nfs/dbraw/zinc/82/97/78/1317829778.db2.gz SDWUPRZXHIQVFB-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320961 1317829786 /nfs/dbraw/zinc/82/97/86/1317829786.db2.gz SDWUPRZXHIQVFB-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904558747 1317862180 /nfs/dbraw/zinc/86/21/80/1317862180.db2.gz VMSIEXHDUWBXRG-CJNGLKHVSA-N 2 2 325.416 3.417 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000809994637 1317931898 /nfs/dbraw/zinc/93/18/98/1317931898.db2.gz BMYOCSPQSJHWSA-SFHVURJKSA-N 2 2 348.393 3.245 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC000960148818 1318381515 /nfs/dbraw/zinc/38/15/15/1318381515.db2.gz ABIXHRKDZWLSRS-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC000960206578 1318412100 /nfs/dbraw/zinc/41/21/00/1318412100.db2.gz JZCALJIYMFKNOJ-VJFUWPCTSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815128284 1318904221 /nfs/dbraw/zinc/90/42/21/1318904221.db2.gz UYIAXVBWCALVQK-DZGCQCFKSA-N 2 2 337.305 3.380 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815128284 1318904228 /nfs/dbraw/zinc/90/42/28/1318904228.db2.gz UYIAXVBWCALVQK-DZGCQCFKSA-N 2 2 337.305 3.380 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143610 1318909836 /nfs/dbraw/zinc/90/98/36/1318909836.db2.gz BHAJVQSZVZELFB-SJORKVTESA-N 2 2 342.405 3.157 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143610 1318909858 /nfs/dbraw/zinc/90/98/58/1318909858.db2.gz BHAJVQSZVZELFB-SJORKVTESA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143610 1318909875 /nfs/dbraw/zinc/90/98/75/1318909875.db2.gz BHAJVQSZVZELFB-SJORKVTESA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143610 1318909882 /nfs/dbraw/zinc/90/98/82/1318909882.db2.gz BHAJVQSZVZELFB-SJORKVTESA-N 2 2 342.405 3.157 20 0 EGADLP CC[N@@H+](Cc1cnn(C)c1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000816513741 1319170760 /nfs/dbraw/zinc/17/07/60/1319170760.db2.gz AFXKWPPMFLRSTB-UHFFFAOYSA-N 2 2 347.894 3.207 20 0 EGADLP CC[N@H+](Cc1cnn(C)c1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000816513741 1319170763 /nfs/dbraw/zinc/17/07/63/1319170763.db2.gz AFXKWPPMFLRSTB-UHFFFAOYSA-N 2 2 347.894 3.207 20 0 EGADLP Brc1csc([C@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)n1 ZINC000817560980 1319395218 /nfs/dbraw/zinc/39/52/18/1319395218.db2.gz VHULSGVSCFFTEU-GFCCVEGCSA-N 2 2 341.278 3.233 20 0 EGADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000819085544 1319630694 /nfs/dbraw/zinc/63/06/94/1319630694.db2.gz LBMRNPPSNHPIJM-OAHLLOKOSA-N 2 2 339.361 3.226 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819183825 1319659943 /nfs/dbraw/zinc/65/99/43/1319659943.db2.gz SYQWUDPAUZZMOE-YWZLYKJASA-N 2 2 343.446 3.069 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819182246 1319661002 /nfs/dbraw/zinc/66/10/02/1319661002.db2.gz AIGGMNDSZHFYAD-QRWLVFNGSA-N 2 2 343.446 3.069 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000819339714 1319702991 /nfs/dbraw/zinc/70/29/91/1319702991.db2.gz OLAGMFZXENXMGA-YJBOKZPZSA-N 2 2 326.431 3.098 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000823943657 1320217487 /nfs/dbraw/zinc/21/74/87/1320217487.db2.gz LCKZVEHEBNBRHH-VQFNDLOPSA-N 2 2 331.504 3.267 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966679 1320218788 /nfs/dbraw/zinc/21/87/88/1320218788.db2.gz ZOUPRWKTIQBTSM-APWZRJJASA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966679 1320218790 /nfs/dbraw/zinc/21/87/90/1320218790.db2.gz ZOUPRWKTIQBTSM-APWZRJJASA-N 2 2 338.499 3.440 20 0 EGADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000839094504 1320868627 /nfs/dbraw/zinc/86/86/27/1320868627.db2.gz FGSIQVZYEPVNLB-WKILWMFISA-N 2 2 341.540 3.247 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000841062916 1321211616 /nfs/dbraw/zinc/21/16/16/1321211616.db2.gz ZIIJUWJUWBYUJW-CJNGLKHVSA-N 2 2 332.879 3.123 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000841850716 1321322617 /nfs/dbraw/zinc/32/26/17/1321322617.db2.gz DTYYIAOXTNQRNP-UHFFFAOYSA-N 2 2 328.460 3.298 20 0 EGADLP Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000842160540 1321355877 /nfs/dbraw/zinc/35/58/77/1321355877.db2.gz YWLWEPZKDSVZDA-FQEVSTJZSA-N 2 2 341.499 3.097 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843051979 1321461804 /nfs/dbraw/zinc/46/18/04/1321461804.db2.gz NPPAIEBURBNICP-ZFWWWQNUSA-N 2 2 332.879 3.393 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843051979 1321461809 /nfs/dbraw/zinc/46/18/09/1321461809.db2.gz NPPAIEBURBNICP-ZFWWWQNUSA-N 2 2 332.879 3.393 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000844171878 1321575476 /nfs/dbraw/zinc/57/54/76/1321575476.db2.gz MWOSVURNRPOPHS-QZTJIDSGSA-N 2 2 348.535 3.492 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1nc(Br)cs1 ZINC000844925808 1321659475 /nfs/dbraw/zinc/65/94/75/1321659475.db2.gz VAIBELSJHMAFFK-QMMMGPOBSA-N 2 2 344.253 3.354 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834825 1321814847 /nfs/dbraw/zinc/81/48/47/1321814847.db2.gz FYJGCHVIJJQKQB-ZBFHGGJFSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834825 1321814851 /nfs/dbraw/zinc/81/48/51/1321814851.db2.gz FYJGCHVIJJQKQB-ZBFHGGJFSA-N 2 2 337.427 3.329 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569254 1321978004 /nfs/dbraw/zinc/97/80/04/1321978004.db2.gz YIMSHUPANGIHQD-DBVUQKKJSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCCC2=O)cc1 ZINC000848569254 1321978007 /nfs/dbraw/zinc/97/80/07/1321978007.db2.gz YIMSHUPANGIHQD-DBVUQKKJSA-N 2 2 341.499 3.481 20 0 EGADLP CC(C)Oc1ccc(NC(=[NH2+])NCc2c[nH+]c3n2CCCC3)cc1 ZINC000849002539 1322058094 /nfs/dbraw/zinc/05/80/94/1322058094.db2.gz OWBWZGKPSNZHHE-UHFFFAOYSA-N 2 2 327.432 3.143 20 0 EGADLP CCc1ccc([C@H](CNC(=[NH2+])NCc2ccc(C)cc2)[NH+](C)C)cc1 ZINC000849057824 1322061641 /nfs/dbraw/zinc/06/16/41/1322061641.db2.gz TZALXDSSRPJLJH-FQEVSTJZSA-N 2 2 338.499 3.474 20 0 EGADLP CC(C)CCNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000849088898 1322073690 /nfs/dbraw/zinc/07/36/90/1322073690.db2.gz WVKLYBIPCOEPRO-HNNXBMFYSA-N 2 2 344.425 3.468 20 0 EGADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000849091490 1322074901 /nfs/dbraw/zinc/07/49/01/1322074901.db2.gz JPWBXPBLZGQKMQ-SFHVURJKSA-N 2 2 344.890 3.299 20 0 EGADLP CC[NH+](CC)CCOc1cc(NCc2[nH]c(C)c(C)[nH+]2)ccc1OC ZINC000850209344 1322205605 /nfs/dbraw/zinc/20/56/05/1322205605.db2.gz VJIJKJPGIAESKM-UHFFFAOYSA-N 2 2 346.475 3.368 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)c2cccc3ccccc32)s1 ZINC000850360203 1322232838 /nfs/dbraw/zinc/23/28/38/1322232838.db2.gz DFVJGZGVRPIQPL-GOSISDBHSA-N 2 2 341.480 3.181 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000850494393 1322257455 /nfs/dbraw/zinc/25/74/55/1322257455.db2.gz OOGNLFMDNMJRIX-KFWWJZLASA-N 2 2 346.462 3.206 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000850494393 1322257462 /nfs/dbraw/zinc/25/74/62/1322257462.db2.gz OOGNLFMDNMJRIX-KFWWJZLASA-N 2 2 346.462 3.206 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492561 1322257659 /nfs/dbraw/zinc/25/76/59/1322257659.db2.gz DQZQRNBZJCXUNV-ZNMIVQPWSA-N 2 2 327.513 3.141 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492561 1322257661 /nfs/dbraw/zinc/25/76/61/1322257661.db2.gz DQZQRNBZJCXUNV-ZNMIVQPWSA-N 2 2 327.513 3.141 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccccc1 ZINC000921797513 1322399264 /nfs/dbraw/zinc/39/92/64/1322399264.db2.gz DPRLGQYTOPWVBU-LJQANCHMSA-N 2 2 333.435 3.429 20 0 EGADLP CCc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000923517507 1322767685 /nfs/dbraw/zinc/76/76/85/1322767685.db2.gz DHBWJGMAXTYSNZ-DLBZAZTESA-N 2 2 327.497 3.414 20 0 EGADLP CCc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000923517507 1322767688 /nfs/dbraw/zinc/76/76/88/1322767688.db2.gz DHBWJGMAXTYSNZ-DLBZAZTESA-N 2 2 327.497 3.414 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cc(CO)on1 ZINC000924673789 1323106346 /nfs/dbraw/zinc/10/63/46/1323106346.db2.gz YGSDYIRPKSTMEM-CVEARBPZSA-N 2 2 343.471 3.392 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cc(CO)on1 ZINC000924673789 1323106349 /nfs/dbraw/zinc/10/63/49/1323106349.db2.gz YGSDYIRPKSTMEM-CVEARBPZSA-N 2 2 343.471 3.392 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(Br)CC1 ZINC000924778942 1323158907 /nfs/dbraw/zinc/15/89/07/1323158907.db2.gz ZKILAFJHOOJBPN-LLVKDONJSA-N 2 2 338.224 3.417 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(CO)on1 ZINC000924859183 1323189192 /nfs/dbraw/zinc/18/91/92/1323189192.db2.gz BEZJXBVGHZCZBK-MRXNPFEDSA-N 2 2 343.471 3.394 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(-n2cnnc2)c1 ZINC000924925998 1323215310 /nfs/dbraw/zinc/21/53/10/1323215310.db2.gz IIVUXVZTLMDJSX-MRXNPFEDSA-N 2 2 336.443 3.205 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)c[nH+]1 ZINC001024999590 1323819464 /nfs/dbraw/zinc/81/94/64/1323819464.db2.gz YEUOKOJUDXUSJE-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227069 1324014031 /nfs/dbraw/zinc/01/40/31/1324014031.db2.gz MNDKJARTHAFBKL-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227069 1324014036 /nfs/dbraw/zinc/01/40/36/1324014036.db2.gz MNDKJARTHAFBKL-MSOLQXFVSA-N 2 2 346.519 3.234 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303690 1324137503 /nfs/dbraw/zinc/13/75/03/1324137503.db2.gz JERQZDCPKYIFCV-OALUTQOASA-N 2 2 346.519 3.165 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303690 1324137506 /nfs/dbraw/zinc/13/75/06/1324137506.db2.gz JERQZDCPKYIFCV-OALUTQOASA-N 2 2 346.519 3.165 20 0 EGADLP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582013 1324421779 /nfs/dbraw/zinc/42/17/79/1324421779.db2.gz MSQNDTSEXLZLMD-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582013 1324421782 /nfs/dbraw/zinc/42/17/82/1324421782.db2.gz MSQNDTSEXLZLMD-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)ccc1OC(C)C ZINC000925536592 1325196731 /nfs/dbraw/zinc/19/67/31/1325196731.db2.gz FZARHHVIGPDNHS-JKNDIDBPSA-N 2 2 330.472 3.129 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[NH2+]2)cc1 ZINC000925761874 1325288858 /nfs/dbraw/zinc/28/88/58/1325288858.db2.gz DSSSLBFBIUGDCZ-XLIONFOSSA-N 2 2 345.450 3.122 20 0 EGADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792063 1325302536 /nfs/dbraw/zinc/30/25/36/1325302536.db2.gz OBWRIWUJPMAKTI-PKOBYXMFSA-N 2 2 328.500 3.429 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(OC(F)F)c1 ZINC000925795755 1325304522 /nfs/dbraw/zinc/30/45/22/1325304522.db2.gz PLSYBHKYWPGWEE-UKRRQHHQSA-N 2 2 340.414 3.097 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCO2 ZINC000925792879 1325304880 /nfs/dbraw/zinc/30/48/80/1325304880.db2.gz BQIPOUVRLQOYJO-OALUTQOASA-N 2 2 344.499 3.211 20 0 EGADLP COc1ccc([C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925800091 1325307919 /nfs/dbraw/zinc/30/79/19/1325307919.db2.gz WMQJMDNQNPAUBC-HKUYNNGSSA-N 2 2 332.488 3.141 20 0 EGADLP CS[C@@H]1CCC[C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000925938447 1325365377 /nfs/dbraw/zinc/36/53/77/1325365377.db2.gz YBUNIUDVWRAHAO-HYVNUMGLSA-N 2 2 334.533 3.308 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287430 1325504408 /nfs/dbraw/zinc/50/44/08/1325504408.db2.gz NZTWSTUGJZDIJV-DLBZAZTESA-N 2 2 343.471 3.493 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287430 1325504412 /nfs/dbraw/zinc/50/44/12/1325504412.db2.gz NZTWSTUGJZDIJV-DLBZAZTESA-N 2 2 343.471 3.493 20 0 EGADLP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001027388360 1325589363 /nfs/dbraw/zinc/58/93/63/1325589363.db2.gz PBVKNTHHNYENIX-DAWZGUTISA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001027388360 1325589369 /nfs/dbraw/zinc/58/93/69/1325589369.db2.gz PBVKNTHHNYENIX-DAWZGUTISA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC3)nn2C)CC1 ZINC000927100066 1327861436 /nfs/dbraw/zinc/86/14/36/1327861436.db2.gz SHKNUJNNDANFDL-YWZLYKJASA-N 2 2 330.520 3.430 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027663540 1328054879 /nfs/dbraw/zinc/05/48/79/1328054879.db2.gz CZQMAORSJUDUBT-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027663540 1328054885 /nfs/dbraw/zinc/05/48/85/1328054885.db2.gz CZQMAORSJUDUBT-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000863570038 1329563756 /nfs/dbraw/zinc/56/37/56/1329563756.db2.gz QWHJIHXXPLUSEO-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000863570038 1329563758 /nfs/dbraw/zinc/56/37/58/1329563758.db2.gz QWHJIHXXPLUSEO-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000933948490 1329935729 /nfs/dbraw/zinc/93/57/29/1329935729.db2.gz GLLVSEWMJNSZPN-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000933948490 1329935730 /nfs/dbraw/zinc/93/57/30/1329935730.db2.gz GLLVSEWMJNSZPN-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP CC(C)[N@@H+]1CCCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934070241 1329943831 /nfs/dbraw/zinc/94/38/31/1329943831.db2.gz GMRAFUMLTCSMCR-UHFFFAOYSA-N 2 2 345.491 3.020 20 0 EGADLP CC(C)[N@H+]1CCCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934070241 1329943832 /nfs/dbraw/zinc/94/38/32/1329943832.db2.gz GMRAFUMLTCSMCR-UHFFFAOYSA-N 2 2 345.491 3.020 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181654 1329952978 /nfs/dbraw/zinc/95/29/78/1329952978.db2.gz HIFQYEVNHWCUMG-YJBOKZPZSA-N 2 2 348.450 3.203 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934181654 1329952979 /nfs/dbraw/zinc/95/29/79/1329952979.db2.gz HIFQYEVNHWCUMG-YJBOKZPZSA-N 2 2 348.450 3.203 20 0 EGADLP CC1(C)C[N@H+](C/C=C\Cl)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838957 1331213849 /nfs/dbraw/zinc/21/38/49/1331213849.db2.gz KFMKOSVXMAZSEK-QQNRWZHASA-N 2 2 346.862 3.146 20 0 EGADLP CC1(C)C[N@@H+](C/C=C\Cl)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940838957 1331213851 /nfs/dbraw/zinc/21/38/51/1331213851.db2.gz KFMKOSVXMAZSEK-QQNRWZHASA-N 2 2 346.862 3.146 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC000944443646 1332412969 /nfs/dbraw/zinc/41/29/69/1332412969.db2.gz HMVGTDFJQQOXEH-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C[C@H]1C ZINC000944443646 1332412971 /nfs/dbraw/zinc/41/29/71/1332412971.db2.gz HMVGTDFJQQOXEH-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552970 1333571589 /nfs/dbraw/zinc/57/15/89/1333571589.db2.gz CVZWTFZRWDTINS-CVEARBPZSA-N 2 2 346.450 3.238 20 0 EGADLP CC[C@@H](F)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552970 1333571592 /nfs/dbraw/zinc/57/15/92/1333571592.db2.gz CVZWTFZRWDTINS-CVEARBPZSA-N 2 2 346.450 3.238 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948886562 1333719397 /nfs/dbraw/zinc/71/93/97/1333719397.db2.gz OOKHPPSWUSFUGR-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948886562 1333719399 /nfs/dbraw/zinc/71/93/99/1333719399.db2.gz OOKHPPSWUSFUGR-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CCC(CC)C[NH+]1CC(N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000950097217 1334014318 /nfs/dbraw/zinc/01/43/18/1334014318.db2.gz LTGRZKJZOCHZRE-UHFFFAOYSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005582391 1336375291 /nfs/dbraw/zinc/37/52/91/1336375291.db2.gz BMGZWPQKYKGOBV-CQSZACIVSA-N 2 2 328.460 3.145 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001006191718 1336464938 /nfs/dbraw/zinc/46/49/38/1336464938.db2.gz GNKKEIHUZFTXJF-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001006475367 1336513991 /nfs/dbraw/zinc/51/39/91/1336513991.db2.gz NPUJTMPOMWDDAV-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001007643079 1336682442 /nfs/dbraw/zinc/68/24/42/1336682442.db2.gz XYXFRAVOBVCZEP-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC(C[N@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001007643079 1336682444 /nfs/dbraw/zinc/68/24/44/1336682444.db2.gz XYXFRAVOBVCZEP-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205916628 1370910075 /nfs/dbraw/zinc/91/00/75/1370910075.db2.gz UYGLPIASRSOGQK-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205916628 1370910076 /nfs/dbraw/zinc/91/00/76/1370910076.db2.gz UYGLPIASRSOGQK-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008090352 1336767167 /nfs/dbraw/zinc/76/71/67/1336767167.db2.gz UAIDKZKWQUKTHD-SFHVURJKSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008090352 1336767169 /nfs/dbraw/zinc/76/71/69/1336767169.db2.gz UAIDKZKWQUKTHD-SFHVURJKSA-N 2 2 338.455 3.033 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC001014921480 1337953238 /nfs/dbraw/zinc/95/32/38/1337953238.db2.gz WCJRSGVPUSHASH-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCC3CCCCC3)C2)c[nH+]1 ZINC001014921480 1337953242 /nfs/dbraw/zinc/95/32/42/1337953242.db2.gz WCJRSGVPUSHASH-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001016743843 1338709699 /nfs/dbraw/zinc/70/96/99/1338709699.db2.gz SFCHLRQFEUPZOD-QGZVFWFLSA-N 2 2 329.488 3.391 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856302 1341097131 /nfs/dbraw/zinc/09/71/31/1341097131.db2.gz LKSKSCQDUJLMFO-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856302 1341097132 /nfs/dbraw/zinc/09/71/32/1341097132.db2.gz LKSKSCQDUJLMFO-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001030785201 1341224670 /nfs/dbraw/zinc/22/46/70/1341224670.db2.gz LDBLKYXALHOWSK-KRWDZBQOSA-N 2 2 343.515 3.039 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031045356 1341269361 /nfs/dbraw/zinc/26/93/61/1341269361.db2.gz LWPNGRRTBSVDAG-ZWKOTPCHSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050864 1341270308 /nfs/dbraw/zinc/27/03/08/1341270308.db2.gz ZULLCTOADWUJCT-YLJYHZDGSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050864 1341270309 /nfs/dbraw/zinc/27/03/09/1341270309.db2.gz ZULLCTOADWUJCT-YLJYHZDGSA-N 2 2 343.515 3.119 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](CC3=CCCCC3)C2)o1 ZINC001031468425 1341351899 /nfs/dbraw/zinc/35/18/99/1341351899.db2.gz VZYGTTQKJMCBBT-UHFFFAOYSA-N 2 2 345.487 3.036 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829836 1341628674 /nfs/dbraw/zinc/62/86/74/1341628674.db2.gz HIBNPAOYNQAWOA-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829836 1341628675 /nfs/dbraw/zinc/62/86/75/1341628675.db2.gz HIBNPAOYNQAWOA-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829836 1341628676 /nfs/dbraw/zinc/62/86/76/1341628676.db2.gz HIBNPAOYNQAWOA-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829836 1341628677 /nfs/dbraw/zinc/62/86/77/1341628677.db2.gz HIBNPAOYNQAWOA-JLSDUUJJSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001033194159 1341750059 /nfs/dbraw/zinc/75/00/59/1341750059.db2.gz WZEFSOUSRKAONJ-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001033194159 1341750061 /nfs/dbraw/zinc/75/00/61/1341750061.db2.gz WZEFSOUSRKAONJ-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034469181 1342524818 /nfs/dbraw/zinc/52/48/18/1342524818.db2.gz UCCGXNCPHQGZDK-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034469181 1342524819 /nfs/dbraw/zinc/52/48/19/1342524819.db2.gz UCCGXNCPHQGZDK-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036265302 1343385637 /nfs/dbraw/zinc/38/56/37/1343385637.db2.gz LCIJNRMCRMHEFB-NVXWUHKLSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001036442776 1343490525 /nfs/dbraw/zinc/49/05/25/1343490525.db2.gz QHSMLXSPEVZLHP-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C[NH2+]CC1CCC1 ZINC001036559453 1343553623 /nfs/dbraw/zinc/55/36/23/1343553623.db2.gz MCXLORQKKYZLEL-KUHUBIRLSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036749737 1343673369 /nfs/dbraw/zinc/67/33/69/1343673369.db2.gz BEHZIFAKGXLGCZ-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036749737 1343673370 /nfs/dbraw/zinc/67/33/70/1343673370.db2.gz BEHZIFAKGXLGCZ-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001037941220 1344193331 /nfs/dbraw/zinc/19/33/31/1344193331.db2.gz CZRAKCLOFMPFCV-MSOLQXFVSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037941104 1344193622 /nfs/dbraw/zinc/19/36/22/1344193622.db2.gz CXCSKCWVUCXGMC-MSOLQXFVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1[NH2+]C(C)C ZINC001037970642 1344210907 /nfs/dbraw/zinc/21/09/07/1344210907.db2.gz NKEMVXBQPCOIQB-QFBILLFUSA-N 2 2 340.471 3.111 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375638 1345033354 /nfs/dbraw/zinc/03/33/54/1345033354.db2.gz PGNHFQUEQIMPHK-MSOLQXFVSA-N 2 2 340.471 3.122 20 0 EGADLP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001039375638 1345033356 /nfs/dbraw/zinc/03/33/56/1345033356.db2.gz PGNHFQUEQIMPHK-MSOLQXFVSA-N 2 2 340.471 3.122 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001040747017 1345573771 /nfs/dbraw/zinc/57/37/71/1345573771.db2.gz KAWKFDUAEGAYOY-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042723926 1346110513 /nfs/dbraw/zinc/11/05/13/1346110513.db2.gz OZVGZGJGWVLULF-KRWDZBQOSA-N 2 2 343.515 3.155 20 0 EGADLP CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1C[NH+](CCC(C)(C)C)C1 ZINC001044133939 1346257171 /nfs/dbraw/zinc/25/71/71/1346257171.db2.gz KVOPSVYBULXNPR-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579458 1346373775 /nfs/dbraw/zinc/37/37/75/1346373775.db2.gz HEGVMEVALZQOKI-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001045092026 1346493474 /nfs/dbraw/zinc/49/34/74/1346493474.db2.gz PPLPAACHSGBIHC-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944565 1346779687 /nfs/dbraw/zinc/77/96/87/1346779687.db2.gz LDMAXEHUVYGSLH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944565 1346779690 /nfs/dbraw/zinc/77/96/90/1346779690.db2.gz LDMAXEHUVYGSLH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944565 1346779692 /nfs/dbraw/zinc/77/96/92/1346779692.db2.gz LDMAXEHUVYGSLH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944565 1346779695 /nfs/dbraw/zinc/77/96/95/1346779695.db2.gz LDMAXEHUVYGSLH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001047240185 1347266393 /nfs/dbraw/zinc/26/63/93/1347266393.db2.gz DIZWIDFBXSZPHE-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([C@H](C)[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001047910706 1347406594 /nfs/dbraw/zinc/40/65/94/1347406594.db2.gz UPYPYOVVVFUPLX-YJBOKZPZSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759463 1348004742 /nfs/dbraw/zinc/00/47/42/1348004742.db2.gz PNOPKQXBCYJVLC-BHIYHBOVSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759463 1348004745 /nfs/dbraw/zinc/00/47/45/1348004745.db2.gz PNOPKQXBCYJVLC-BHIYHBOVSA-N 2 2 344.503 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553437 1348577807 /nfs/dbraw/zinc/57/78/07/1348577807.db2.gz FFDCDKQAOJMTLP-QGZVFWFLSA-N 2 2 342.487 3.355 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553437 1348577809 /nfs/dbraw/zinc/57/78/09/1348577809.db2.gz FFDCDKQAOJMTLP-QGZVFWFLSA-N 2 2 342.487 3.355 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084964 1348906191 /nfs/dbraw/zinc/90/61/91/1348906191.db2.gz ZNNBOXFGKKUORH-MSOLQXFVSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084964 1348906194 /nfs/dbraw/zinc/90/61/94/1348906194.db2.gz ZNNBOXFGKKUORH-MSOLQXFVSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098017 1348928815 /nfs/dbraw/zinc/92/88/15/1348928815.db2.gz JDTNNFXAGRKGTD-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098017 1348928818 /nfs/dbraw/zinc/92/88/18/1348928818.db2.gz JDTNNFXAGRKGTD-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054142345 1349153108 /nfs/dbraw/zinc/15/31/08/1349153108.db2.gz BBIBBJLJTXZHBC-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054142345 1349153112 /nfs/dbraw/zinc/15/31/12/1349153112.db2.gz BBIBBJLJTXZHBC-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054142345 1349153115 /nfs/dbraw/zinc/15/31/15/1349153115.db2.gz BBIBBJLJTXZHBC-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054142345 1349153120 /nfs/dbraw/zinc/15/31/20/1349153120.db2.gz BBIBBJLJTXZHBC-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2C1 ZINC001054275930 1349275703 /nfs/dbraw/zinc/27/57/03/1349275703.db2.gz IJZDACKBMXVCGB-UHFFFAOYSA-N 2 2 346.434 3.138 20 0 EGADLP CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2C1 ZINC001054275930 1349275705 /nfs/dbraw/zinc/27/57/05/1349275705.db2.gz IJZDACKBMXVCGB-UHFFFAOYSA-N 2 2 346.434 3.138 20 0 EGADLP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085288522 1358453556 /nfs/dbraw/zinc/45/35/56/1358453556.db2.gz LHIIKMUMXBUJHT-RTBURBONSA-N 2 2 340.471 3.159 20 0 EGADLP COc1cc(C)nc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001323023919 1387269875 /nfs/dbraw/zinc/26/98/75/1387269875.db2.gz AYZVXQPHUGDIOV-KRWDZBQOSA-N 2 2 326.444 3.179 20 0 EGADLP COc1cc(C)nc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001323023919 1387269879 /nfs/dbraw/zinc/26/98/79/1387269879.db2.gz AYZVXQPHUGDIOV-KRWDZBQOSA-N 2 2 326.444 3.179 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C)[N@@H+](CCC4CC4)C3)ccn12 ZINC001071510836 1354735009 /nfs/dbraw/zinc/73/50/09/1354735009.db2.gz GTMASMQNTREKCH-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@H](C)[N@H+](CCC4CC4)C3)ccn12 ZINC001071510836 1354735014 /nfs/dbraw/zinc/73/50/14/1354735014.db2.gz GTMASMQNTREKCH-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609220 1354793756 /nfs/dbraw/zinc/79/37/56/1354793756.db2.gz HIRLOMYGHINXQK-GOEBONIOSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071609220 1354793757 /nfs/dbraw/zinc/79/37/57/1354793757.db2.gz HIRLOMYGHINXQK-GOEBONIOSA-N 2 2 326.444 3.112 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001082771763 1358090006 /nfs/dbraw/zinc/09/00/06/1358090006.db2.gz PWQGLVDRTZWHCX-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001183495821 1387313414 /nfs/dbraw/zinc/31/34/14/1387313414.db2.gz FPUGLUVMGPVCDT-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345822 1358474188 /nfs/dbraw/zinc/47/41/88/1358474188.db2.gz RLXPDNJBGCABRS-KFKAGJAMSA-N 2 2 340.471 3.039 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001183920047 1387370658 /nfs/dbraw/zinc/37/06/58/1387370658.db2.gz UDTGTZWQNXSDMP-MJUUVYJYSA-N 2 2 329.532 3.327 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001183920047 1387370660 /nfs/dbraw/zinc/37/06/60/1387370660.db2.gz UDTGTZWQNXSDMP-MJUUVYJYSA-N 2 2 329.532 3.327 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086925967 1359251401 /nfs/dbraw/zinc/25/14/01/1359251401.db2.gz MBUMPFCTIKJDJL-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086925967 1359251402 /nfs/dbraw/zinc/25/14/02/1359251402.db2.gz MBUMPFCTIKJDJL-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954565 1359275321 /nfs/dbraw/zinc/27/53/21/1359275321.db2.gz OGRVHGHMIQKUHW-CVEARBPZSA-N 2 2 346.519 3.010 20 0 EGADLP CCC[NH2+][C@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088354946 1359838789 /nfs/dbraw/zinc/83/87/89/1359838789.db2.gz JYBFTAOXSKRLGF-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCC(C)(C)C ZINC001088663598 1360005595 /nfs/dbraw/zinc/00/55/95/1360005595.db2.gz KROWDNHVMYLFSV-HIFRSBDPSA-N 2 2 328.460 3.192 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCC(C)(C)C ZINC001088663598 1360005599 /nfs/dbraw/zinc/00/55/99/1360005599.db2.gz KROWDNHVMYLFSV-HIFRSBDPSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097338380 1362940651 /nfs/dbraw/zinc/94/06/51/1362940651.db2.gz KYUPFHRKRNCHLY-KYJSFNMBSA-N 2 2 340.471 3.334 20 0 EGADLP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097338380 1362940660 /nfs/dbraw/zinc/94/06/60/1362940660.db2.gz KYUPFHRKRNCHLY-KYJSFNMBSA-N 2 2 340.471 3.334 20 0 EGADLP CC(C)[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098819631 1363481066 /nfs/dbraw/zinc/48/10/66/1363481066.db2.gz BUYCYGUOAVFRCO-FUHWJXTLSA-N 2 2 346.519 3.138 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100392505 1364100067 /nfs/dbraw/zinc/10/00/67/1364100067.db2.gz MIQZHZGGWBHOCS-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100392505 1364100071 /nfs/dbraw/zinc/10/00/71/1364100071.db2.gz MIQZHZGGWBHOCS-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088146 1364848381 /nfs/dbraw/zinc/84/83/81/1364848381.db2.gz ORZZLMBUCFUCHH-NVXWUHKLSA-N 2 2 342.487 3.297 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088146 1364848386 /nfs/dbraw/zinc/84/83/86/1364848386.db2.gz ORZZLMBUCFUCHH-NVXWUHKLSA-N 2 2 342.487 3.297 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cs1 ZINC001324689636 1387738348 /nfs/dbraw/zinc/73/83/48/1387738348.db2.gz CTVIFIXVPKTLGO-OAHLLOKOSA-N 2 2 344.528 3.050 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103677044 1365722894 /nfs/dbraw/zinc/72/28/94/1365722894.db2.gz HSJYEMJITLRCPG-JFIYKMOQSA-N 2 2 348.535 3.017 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001103677044 1365722898 /nfs/dbraw/zinc/72/28/98/1365722898.db2.gz HSJYEMJITLRCPG-JFIYKMOQSA-N 2 2 348.535 3.017 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104133381 1365921429 /nfs/dbraw/zinc/92/14/29/1365921429.db2.gz WCVBWZYYESCYGU-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104352314 1365983120 /nfs/dbraw/zinc/98/31/20/1365983120.db2.gz OVSNETQMQCDFIG-GDBMZVCRSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185788303 1387799732 /nfs/dbraw/zinc/79/97/32/1387799732.db2.gz MTEATADUIJENAF-RBUKOAKNSA-N 2 2 348.535 3.174 20 0 EGADLP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001105544473 1366521803 /nfs/dbraw/zinc/52/18/03/1366521803.db2.gz KZLOBYRKVHMDCS-SFHVURJKSA-N 2 2 340.471 3.337 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816798 1367358262 /nfs/dbraw/zinc/35/82/62/1367358262.db2.gz GJCWTEQLWCORJA-ZWKOTPCHSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816798 1367358266 /nfs/dbraw/zinc/35/82/66/1367358266.db2.gz GJCWTEQLWCORJA-ZWKOTPCHSA-N 2 2 348.535 3.439 20 0 EGADLP CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587233 1367536230 /nfs/dbraw/zinc/53/62/30/1367536230.db2.gz SKJXKJCHOHUSPV-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587233 1367536238 /nfs/dbraw/zinc/53/62/38/1367536238.db2.gz SKJXKJCHOHUSPV-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834276 1367627171 /nfs/dbraw/zinc/62/71/71/1367627171.db2.gz ISHWRJIEONFMJS-OTWHNJEPSA-N 2 2 346.519 3.213 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292710 1367740882 /nfs/dbraw/zinc/74/08/82/1367740882.db2.gz BIRAOPQSTGZGOT-SDKBWNRFSA-N 2 2 344.503 3.109 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292710 1367740884 /nfs/dbraw/zinc/74/08/84/1367740884.db2.gz BIRAOPQSTGZGOT-SDKBWNRFSA-N 2 2 344.503 3.109 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268352 1368219752 /nfs/dbraw/zinc/21/97/52/1368219752.db2.gz GWSZFUFWSJUUMY-CUWPLCDZSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268352 1368219753 /nfs/dbraw/zinc/21/97/53/1368219753.db2.gz GWSZFUFWSJUUMY-CUWPLCDZSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268352 1368219760 /nfs/dbraw/zinc/21/97/60/1368219760.db2.gz GWSZFUFWSJUUMY-CUWPLCDZSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268352 1368219761 /nfs/dbraw/zinc/21/97/61/1368219761.db2.gz GWSZFUFWSJUUMY-CUWPLCDZSA-N 2 2 344.499 3.172 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845530 1368501653 /nfs/dbraw/zinc/50/16/53/1368501653.db2.gz MDCGIMAPEWKRHN-PLNGDYQASA-N 2 2 340.471 3.147 20 0 EGADLP CC/C=C\CC[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845530 1368501655 /nfs/dbraw/zinc/50/16/55/1368501655.db2.gz MDCGIMAPEWKRHN-PLNGDYQASA-N 2 2 340.471 3.147 20 0 EGADLP CCCCCC[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195854234 1368504267 /nfs/dbraw/zinc/50/42/67/1368504267.db2.gz WDSDLACMXLFXRD-UHFFFAOYSA-N 2 2 342.487 3.371 20 0 EGADLP CCCCCC[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195854234 1368504273 /nfs/dbraw/zinc/50/42/73/1368504273.db2.gz WDSDLACMXLFXRD-UHFFFAOYSA-N 2 2 342.487 3.371 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287597 1368584115 /nfs/dbraw/zinc/58/41/15/1368584115.db2.gz GSTTYJWCJFLHQY-SNAWJCMRSA-N 2 2 340.471 3.457 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287597 1368584122 /nfs/dbraw/zinc/58/41/22/1368584122.db2.gz GSTTYJWCJFLHQY-SNAWJCMRSA-N 2 2 340.471 3.457 20 0 EGADLP CCCCCC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288912 1368584640 /nfs/dbraw/zinc/58/46/40/1368584640.db2.gz YCPSVXJTQZBZOF-UHFFFAOYSA-N 2 2 328.460 3.291 20 0 EGADLP CCCCCC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288912 1368584643 /nfs/dbraw/zinc/58/46/43/1368584643.db2.gz YCPSVXJTQZBZOF-UHFFFAOYSA-N 2 2 328.460 3.291 20 0 EGADLP CC(C)(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021628 1368624064 /nfs/dbraw/zinc/62/40/64/1368624064.db2.gz XWDRHLHPQIBNHM-PXNSSMCTSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021628 1368624069 /nfs/dbraw/zinc/62/40/69/1368624069.db2.gz XWDRHLHPQIBNHM-PXNSSMCTSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994613 1369127860 /nfs/dbraw/zinc/12/78/60/1369127860.db2.gz CQIVONODJWHDOP-MOPGFXCFSA-N 2 2 348.535 3.297 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994771 1369127927 /nfs/dbraw/zinc/12/79/27/1369127927.db2.gz GTQMIBONPTUDLW-LIXSYLKWSA-N 2 2 346.519 3.361 20 0 EGADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1OC ZINC001199179207 1369188548 /nfs/dbraw/zinc/18/85/48/1369188548.db2.gz RMXQNNVVOHDMBO-UHFFFAOYSA-N 2 2 329.444 3.235 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC([NH2+]CCCC(C)C)CC3)ccn12 ZINC001200570894 1369391225 /nfs/dbraw/zinc/39/12/25/1369391225.db2.gz MBUSHZOLVSSZCA-UHFFFAOYSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]C[C@@H](C)CC(C)C)CC2)c[nH+]1 ZINC001201224215 1369499461 /nfs/dbraw/zinc/49/94/61/1369499461.db2.gz OWKVVBLZRVCYAD-INIZCTEOSA-N 2 2 348.535 3.189 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201559776 1369575243 /nfs/dbraw/zinc/57/52/43/1369575243.db2.gz NBOJKGSMZIOHHZ-QGZVFWFLSA-N 2 2 329.492 3.202 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201559776 1369575245 /nfs/dbraw/zinc/57/52/45/1369575245.db2.gz NBOJKGSMZIOHHZ-QGZVFWFLSA-N 2 2 329.492 3.202 20 0 EGADLP C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001201851605 1369634770 /nfs/dbraw/zinc/63/47/70/1369634770.db2.gz XXIOXCYRQJUHBK-ZDUSSCGKSA-N 2 2 331.370 3.185 20 0 EGADLP CC(C)Oc1ccc[nH+]c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC001202032000 1369671820 /nfs/dbraw/zinc/67/18/20/1369671820.db2.gz VDDUWGYXIRGCKO-UHFFFAOYSA-N 2 2 329.444 3.421 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446894 1369774252 /nfs/dbraw/zinc/77/42/52/1369774252.db2.gz GNVSRCHJJSJMQG-WBVHZDCISA-N 2 2 346.519 3.092 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)nc1 ZINC001203028422 1369959835 /nfs/dbraw/zinc/95/98/35/1369959835.db2.gz LHPCRICNHNWNPF-SFTDATJTSA-N 2 2 333.479 3.134 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078527 1369975445 /nfs/dbraw/zinc/97/54/45/1369975445.db2.gz MULFRDGFZNZZRQ-QZTJIDSGSA-N 2 2 338.455 3.160 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccccc3Br)CC2)cc[nH+]1 ZINC001203333451 1370086716 /nfs/dbraw/zinc/08/67/16/1370086716.db2.gz KTPBGSLLFILJEB-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP COc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001203429073 1370122424 /nfs/dbraw/zinc/12/24/24/1370122424.db2.gz ZNIDRPSIWOWPLV-IAGOWNOFSA-N 2 2 328.481 3.321 20 0 EGADLP COc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203429072 1370122529 /nfs/dbraw/zinc/12/25/29/1370122529.db2.gz ZNIDRPSIWOWPLV-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP COc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203429072 1370122532 /nfs/dbraw/zinc/12/25/32/1370122532.db2.gz ZNIDRPSIWOWPLV-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP COc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203429072 1370122536 /nfs/dbraw/zinc/12/25/36/1370122536.db2.gz ZNIDRPSIWOWPLV-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP COc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203429072 1370122538 /nfs/dbraw/zinc/12/25/38/1370122538.db2.gz ZNIDRPSIWOWPLV-CALCHBBNSA-N 2 2 328.481 3.321 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203537486 1370160370 /nfs/dbraw/zinc/16/03/70/1370160370.db2.gz VXAWOLGPVRENLW-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)c1C ZINC001203724103 1370236388 /nfs/dbraw/zinc/23/63/88/1370236388.db2.gz AVSFHDZQQNIACF-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)c1C ZINC001203724103 1370236393 /nfs/dbraw/zinc/23/63/93/1370236393.db2.gz AVSFHDZQQNIACF-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccnc5ccccc45)C[C@@H]3C2)nc1 ZINC001204084753 1370371712 /nfs/dbraw/zinc/37/17/12/1370371712.db2.gz MQNMDKBSFAQICZ-RTBURBONSA-N 2 2 344.462 3.194 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1O ZINC001204134135 1370386141 /nfs/dbraw/zinc/38/61/41/1370386141.db2.gz MNIBRTGULBOIEQ-INIZCTEOSA-N 2 2 328.412 3.148 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC001204283392 1370430943 /nfs/dbraw/zinc/43/09/43/1370430943.db2.gz SVCFZLDGUUYXJL-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP Cn1c[nH+]c2cc(Nc3cccc(CC[NH+]4CCOCC4)c3)ccc21 ZINC001204380322 1370460945 /nfs/dbraw/zinc/46/09/45/1370460945.db2.gz YIQVSJHSHLSVBH-UHFFFAOYSA-N 2 2 336.439 3.192 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115591885 1370593090 /nfs/dbraw/zinc/59/30/90/1370593090.db2.gz JSUCRAFYGFMQKK-INIZCTEOSA-N 2 2 347.503 3.088 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)c2)cc1 ZINC001204911668 1370603522 /nfs/dbraw/zinc/60/35/22/1370603522.db2.gz LGNUVGHNKQUZSM-LJQANCHMSA-N 2 2 336.435 3.063 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)c2)cc1 ZINC001204911668 1370603527 /nfs/dbraw/zinc/60/35/27/1370603527.db2.gz LGNUVGHNKQUZSM-LJQANCHMSA-N 2 2 336.435 3.063 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3ccn4cc[nH+]c4c3)cc2F)CC1 ZINC001204982614 1370619949 /nfs/dbraw/zinc/61/99/49/1370619949.db2.gz AFEINSXLGQBONT-UHFFFAOYSA-N 2 2 339.418 3.359 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC001205304255 1370713745 /nfs/dbraw/zinc/71/37/45/1370713745.db2.gz NIOCFZRDGTWSHJ-ZWNOBZJWSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC001205304255 1370713749 /nfs/dbraw/zinc/71/37/49/1370713749.db2.gz NIOCFZRDGTWSHJ-ZWNOBZJWSA-N 2 2 329.257 3.313 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130857 1370659672 /nfs/dbraw/zinc/65/96/72/1370659672.db2.gz MRSOZWGCUIRDLH-CYBMUJFWSA-N 2 2 327.266 3.079 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205130857 1370659677 /nfs/dbraw/zinc/65/96/77/1370659677.db2.gz MRSOZWGCUIRDLH-CYBMUJFWSA-N 2 2 327.266 3.079 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752422 1370733407 /nfs/dbraw/zinc/73/34/07/1370733407.db2.gz BJPSKCDKGTVIDE-SJORKVTESA-N 2 2 334.508 3.289 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001205522438 1370779662 /nfs/dbraw/zinc/77/96/62/1370779662.db2.gz SSFZMLVAGRYZRW-UHFFFAOYSA-N 2 2 346.450 3.145 20 0 EGADLP c1cc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2[nH]1 ZINC001205576758 1370797572 /nfs/dbraw/zinc/79/75/72/1370797572.db2.gz DSQXIJSMLAZBMZ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2[nH]1 ZINC001205576758 1370797576 /nfs/dbraw/zinc/79/75/76/1370797576.db2.gz DSQXIJSMLAZBMZ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)ccc2[nH]1 ZINC001205576758 1370797577 /nfs/dbraw/zinc/79/75/77/1370797577.db2.gz DSQXIJSMLAZBMZ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)ccc2[nH]1 ZINC001205576758 1370797581 /nfs/dbraw/zinc/79/75/81/1370797581.db2.gz DSQXIJSMLAZBMZ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205635420 1370820442 /nfs/dbraw/zinc/82/04/42/1370820442.db2.gz AEZQWHOZVKVLAT-PWSUYJOCSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205635420 1370820449 /nfs/dbraw/zinc/82/04/49/1370820449.db2.gz AEZQWHOZVKVLAT-PWSUYJOCSA-N 2 2 345.256 3.101 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC001116066314 1370830764 /nfs/dbraw/zinc/83/07/64/1370830764.db2.gz CDGZZWBFOWSNLJ-GUYCJALGSA-N 2 2 328.416 3.110 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813952 1370881005 /nfs/dbraw/zinc/88/10/05/1370881005.db2.gz AMXWLLUBHJQFFV-GWCFXTLKSA-N 2 2 326.366 3.141 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813952 1370881008 /nfs/dbraw/zinc/88/10/08/1370881008.db2.gz AMXWLLUBHJQFFV-GWCFXTLKSA-N 2 2 326.366 3.141 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205855606 1370893641 /nfs/dbraw/zinc/89/36/41/1370893641.db2.gz OESHKIQKQGSPDD-HOCLYGCPSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205855606 1370893646 /nfs/dbraw/zinc/89/36/46/1370893646.db2.gz OESHKIQKQGSPDD-HOCLYGCPSA-N 2 2 328.456 3.416 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923022 1370912052 /nfs/dbraw/zinc/91/20/52/1370912052.db2.gz GQCJRAZQTSDQPH-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923022 1370912057 /nfs/dbraw/zinc/91/20/57/1370912057.db2.gz GQCJRAZQTSDQPH-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238102 1371000334 /nfs/dbraw/zinc/00/03/34/1371000334.db2.gz GJGAOYMDVBDJRT-KRWDZBQOSA-N 2 2 346.519 3.094 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2coc(-c3ccccc3)n2)s1 ZINC001117138074 1371014595 /nfs/dbraw/zinc/01/45/95/1371014595.db2.gz YKJJRJUJGWJXMR-UHFFFAOYSA-N 2 2 342.468 3.192 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(C2([NH3+])CC2)c1 ZINC001206532741 1371085693 /nfs/dbraw/zinc/08/56/93/1371085693.db2.gz KOAACJTWRXDLGB-UHFFFAOYSA-N 2 2 338.451 3.142 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206622848 1371111798 /nfs/dbraw/zinc/11/17/98/1371111798.db2.gz HUICBJPFZYYBOP-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206622848 1371111800 /nfs/dbraw/zinc/11/18/00/1371111800.db2.gz HUICBJPFZYYBOP-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC001118058519 1371126775 /nfs/dbraw/zinc/12/67/75/1371126775.db2.gz KSOHKOXVMHFKBA-NSISKUIASA-N 2 2 326.488 3.410 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccccc1 ZINC001206771563 1371159499 /nfs/dbraw/zinc/15/94/99/1371159499.db2.gz QBLOKOXMZVOYFW-QGZVFWFLSA-N 2 2 333.395 3.030 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206809487 1371176324 /nfs/dbraw/zinc/17/63/24/1371176324.db2.gz LSTGFQRITPHWBE-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1F ZINC001206809487 1371176326 /nfs/dbraw/zinc/17/63/26/1371176326.db2.gz LSTGFQRITPHWBE-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206809416 1371176330 /nfs/dbraw/zinc/17/63/30/1371176330.db2.gz LPOCCODVCFUKQZ-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206809416 1371176332 /nfs/dbraw/zinc/17/63/32/1371176332.db2.gz LPOCCODVCFUKQZ-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP COc1ccc(/C=C\C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001118854076 1371241468 /nfs/dbraw/zinc/24/14/68/1371241468.db2.gz CEWCKZFFFNXDHX-YVMONPNESA-N 2 2 334.379 3.236 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973449 1371253350 /nfs/dbraw/zinc/25/33/50/1371253350.db2.gz IMGPHRKZPQBMIS-CDZANEANSA-N 2 2 340.471 3.049 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973449 1371253352 /nfs/dbraw/zinc/25/33/52/1371253352.db2.gz IMGPHRKZPQBMIS-CDZANEANSA-N 2 2 340.471 3.049 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973504 1371253918 /nfs/dbraw/zinc/25/39/18/1371253918.db2.gz LFOVJQPAWFTBCF-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973504 1371253921 /nfs/dbraw/zinc/25/39/21/1371253921.db2.gz LFOVJQPAWFTBCF-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001207134889 1371306073 /nfs/dbraw/zinc/30/60/73/1371306073.db2.gz PKDHXDAPPAHISB-OALUTQOASA-N 2 2 325.456 3.164 20 0 EGADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001207255978 1371342486 /nfs/dbraw/zinc/34/24/86/1371342486.db2.gz CXKPVMSKLRFTEJ-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001207255978 1371342489 /nfs/dbraw/zinc/34/24/89/1371342489.db2.gz CXKPVMSKLRFTEJ-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CCC3CCCCC3)C2)C1 ZINC001207255978 1371342491 /nfs/dbraw/zinc/34/24/91/1371342491.db2.gz CXKPVMSKLRFTEJ-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001207255978 1371342495 /nfs/dbraw/zinc/34/24/95/1371342495.db2.gz CXKPVMSKLRFTEJ-FQEVSTJZSA-N 2 2 338.536 3.018 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)cn1 ZINC001207259197 1371343698 /nfs/dbraw/zinc/34/36/98/1371343698.db2.gz IZPJLVGCPHGEDM-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CCCCC4)C[C@H]3C2)cn1 ZINC001207259197 1371343708 /nfs/dbraw/zinc/34/37/08/1371343708.db2.gz IZPJLVGCPHGEDM-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCC4CCCCC4)C[C@H]3C2)cn1 ZINC001207259197 1371343717 /nfs/dbraw/zinc/34/37/17/1371343717.db2.gz IZPJLVGCPHGEDM-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4CCCCC4)C[C@H]3C2)cn1 ZINC001207259197 1371343724 /nfs/dbraw/zinc/34/37/24/1371343724.db2.gz IZPJLVGCPHGEDM-WOJBJXKFSA-N 2 2 330.520 3.144 20 0 EGADLP COc1cc(N2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)ccc1Cl ZINC001207287335 1371351907 /nfs/dbraw/zinc/35/19/07/1371351907.db2.gz BMKZLVVCWIRCHM-UHFFFAOYSA-N 2 2 339.911 3.058 20 0 EGADLP Clc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207421032 1371389142 /nfs/dbraw/zinc/38/91/42/1371389142.db2.gz DASUEKDKPRXPSN-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207421032 1371389146 /nfs/dbraw/zinc/38/91/46/1371389146.db2.gz DASUEKDKPRXPSN-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207421032 1371389149 /nfs/dbraw/zinc/38/91/49/1371389149.db2.gz DASUEKDKPRXPSN-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207421032 1371389152 /nfs/dbraw/zinc/38/91/52/1371389152.db2.gz DASUEKDKPRXPSN-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP c1sc(-c2ccccc2)nc1[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC001207435411 1371394961 /nfs/dbraw/zinc/39/49/61/1371394961.db2.gz NZMXXCZKEXTJSF-GOSISDBHSA-N 2 2 343.496 3.183 20 0 EGADLP c1sc(-c2ccccc2)nc1[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207435411 1371394964 /nfs/dbraw/zinc/39/49/64/1371394964.db2.gz NZMXXCZKEXTJSF-GOSISDBHSA-N 2 2 343.496 3.183 20 0 EGADLP c1cn(Cc2noc3c2C[N@H+](CCCCc2ccccc2)CC3)c[nH+]1 ZINC001207613617 1371452439 /nfs/dbraw/zinc/45/24/39/1371452439.db2.gz LHIVSYLSKQXWRF-UHFFFAOYSA-N 2 2 336.439 3.300 20 0 EGADLP c1cn(Cc2noc3c2C[N@@H+](CCCCc2ccccc2)CC3)c[nH+]1 ZINC001207613617 1371452442 /nfs/dbraw/zinc/45/24/42/1371452442.db2.gz LHIVSYLSKQXWRF-UHFFFAOYSA-N 2 2 336.439 3.300 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)o1 ZINC001207944040 1371544605 /nfs/dbraw/zinc/54/46/05/1371544605.db2.gz LKOPNLGYCKUABW-UHFFFAOYSA-N 2 2 344.503 3.418 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)o1 ZINC001207944040 1371544609 /nfs/dbraw/zinc/54/46/09/1371544609.db2.gz LKOPNLGYCKUABW-UHFFFAOYSA-N 2 2 344.503 3.418 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001208168498 1371615709 /nfs/dbraw/zinc/61/57/09/1371615709.db2.gz HYOJNHPXTSJHRA-VNTMZGSJSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176263 1371619070 /nfs/dbraw/zinc/61/90/70/1371619070.db2.gz PZWCGMRAMXQXEH-CWJKEVGVSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176263 1371619073 /nfs/dbraw/zinc/61/90/73/1371619073.db2.gz PZWCGMRAMXQXEH-CWJKEVGVSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176263 1371619078 /nfs/dbraw/zinc/61/90/78/1371619078.db2.gz PZWCGMRAMXQXEH-CWJKEVGVSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176263 1371619082 /nfs/dbraw/zinc/61/90/82/1371619082.db2.gz PZWCGMRAMXQXEH-CWJKEVGVSA-N 2 2 342.531 3.166 20 0 EGADLP C[NH+](C)CC1(C[N@H+](C)Cc2cncc(Br)c2)CCCC1 ZINC001208184368 1371624198 /nfs/dbraw/zinc/62/41/98/1371624198.db2.gz BJSITKLMCQPJSM-UHFFFAOYSA-N 2 2 340.309 3.398 20 0 EGADLP C[NH+](C)CC1(C[N@@H+](C)Cc2cncc(Br)c2)CCCC1 ZINC001208184368 1371624219 /nfs/dbraw/zinc/62/42/19/1371624219.db2.gz BJSITKLMCQPJSM-UHFFFAOYSA-N 2 2 340.309 3.398 20 0 EGADLP CCCCc1ccc(NC(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)cc1 ZINC001187746095 1388154792 /nfs/dbraw/zinc/15/47/92/1388154792.db2.gz UGYWSPHWAINMSP-UHFFFAOYSA-N 2 2 346.519 3.177 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420483 1371761535 /nfs/dbraw/zinc/76/15/35/1371761535.db2.gz MIIOTJDCYDNPKD-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833797 1371777823 /nfs/dbraw/zinc/77/78/23/1371777823.db2.gz QRGSOYBZMOKHEN-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833797 1371777830 /nfs/dbraw/zinc/77/78/30/1371777830.db2.gz QRGSOYBZMOKHEN-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833797 1371777832 /nfs/dbraw/zinc/77/78/32/1371777832.db2.gz QRGSOYBZMOKHEN-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833797 1371777834 /nfs/dbraw/zinc/77/78/34/1371777834.db2.gz QRGSOYBZMOKHEN-CVEARBPZSA-N 2 2 329.492 3.142 20 0 EGADLP CCN(CC[NH+]1CCC(C)([NH+]2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001208578193 1371825262 /nfs/dbraw/zinc/82/52/62/1371825262.db2.gz NVYLTXSODGGTAU-UHFFFAOYSA-N 2 2 339.524 3.194 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([NH2+]CCCOC(C)C)C2)c(C)[nH+]1 ZINC001208650283 1371851498 /nfs/dbraw/zinc/85/14/98/1371851498.db2.gz XGISPKJWTXAWMX-GOSISDBHSA-N 2 2 347.503 3.016 20 0 EGADLP CCCCC[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121295255 1371926161 /nfs/dbraw/zinc/92/61/61/1371926161.db2.gz XCWJVGLRBONOAB-UHFFFAOYSA-N 2 2 340.471 3.384 20 0 EGADLP CCOC(=O)c1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001208869744 1371926417 /nfs/dbraw/zinc/92/64/17/1371926417.db2.gz PBFBINAGDGWLER-UHFFFAOYSA-N 2 2 341.455 3.330 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209013399 1371974955 /nfs/dbraw/zinc/97/49/55/1371974955.db2.gz QIOCJVIRFVPHLF-BZSNNMDCSA-N 2 2 346.471 3.213 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209013399 1371974957 /nfs/dbraw/zinc/97/49/57/1371974957.db2.gz QIOCJVIRFVPHLF-BZSNNMDCSA-N 2 2 346.471 3.213 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(F)c(F)c1)C2 ZINC001209244341 1372048527 /nfs/dbraw/zinc/04/85/27/1372048527.db2.gz GXSQIOFZLFOMKO-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(F)c(F)c1)C2 ZINC001209244341 1372048530 /nfs/dbraw/zinc/04/85/30/1372048530.db2.gz GXSQIOFZLFOMKO-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccc(F)c(F)c1)C2 ZINC001209244341 1372048532 /nfs/dbraw/zinc/04/85/32/1372048532.db2.gz GXSQIOFZLFOMKO-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccc(F)c(F)c1)C2 ZINC001209244341 1372048534 /nfs/dbraw/zinc/04/85/34/1372048534.db2.gz GXSQIOFZLFOMKO-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc2[nH]1 ZINC001209511856 1372125729 /nfs/dbraw/zinc/12/57/29/1372125729.db2.gz YXOJRTYLFJSDET-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP Clc1ccc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc[nH+]c2c1 ZINC001210263313 1372308987 /nfs/dbraw/zinc/30/89/87/1372308987.db2.gz XLYNDKLSHNJWPY-UHFFFAOYSA-N 3 2 339.830 3.436 20 0 EGADLP c1cc(Nc2ccc([NH+]3CCCCC3)cc2)cc(N2CC[NH2+]CC2)[nH+]1 ZINC001210269546 1372311181 /nfs/dbraw/zinc/31/11/81/1372311181.db2.gz WOGAGGHOXWBBKX-UHFFFAOYSA-N 3 2 337.471 3.225 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4ccc5c(c4)CC[NH2+]C5)n3)cc2)c[nH+]1 ZINC001217179345 1373400557 /nfs/dbraw/zinc/40/05/57/1373400557.db2.gz ZBRRUJNHXYMZCA-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001129893422 1373432895 /nfs/dbraw/zinc/43/28/95/1373432895.db2.gz QRAWEEJXXARRRF-BZUAXINKSA-N 2 2 346.862 3.024 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001129893422 1373432900 /nfs/dbraw/zinc/43/29/00/1373432900.db2.gz QRAWEEJXXARRRF-BZUAXINKSA-N 2 2 346.862 3.024 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4cccc5c4CC[NH2+]C5)n3)cc2)c[nH+]1 ZINC001217565863 1373464828 /nfs/dbraw/zinc/46/48/28/1373464828.db2.gz XNVUFNZKZIWJOW-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001218811281 1373656217 /nfs/dbraw/zinc/65/62/17/1373656217.db2.gz FCYFGHJJNXNCMQ-PXNSSMCTSA-N 2 2 346.434 3.347 20 0 EGADLP Nc1ccc(-c2ccc(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)cc2)cc1 ZINC001218861169 1373662999 /nfs/dbraw/zinc/66/29/99/1373662999.db2.gz CSNOWHBFCSTDPC-HXUWFJFHSA-N 2 2 346.434 3.147 20 0 EGADLP COc1cccc2c(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)cccc12 ZINC001219362758 1373703997 /nfs/dbraw/zinc/70/39/97/1373703997.db2.gz VISSPRONWVEKPH-KRWDZBQOSA-N 2 2 335.407 3.059 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC/C=C\c2ccccc2)c(C)[nH+]1 ZINC001131560245 1373721689 /nfs/dbraw/zinc/72/16/89/1373721689.db2.gz DPNAPPVQKNKWCY-XFFZJAGNSA-N 2 2 337.467 3.430 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001222092173 1373816080 /nfs/dbraw/zinc/81/60/80/1373816080.db2.gz KQFJHOCOXUXQHG-PKOBYXMFSA-N 2 2 340.471 3.005 20 0 EGADLP CC1(C)CCC(C[NH2+][C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001188353638 1388295848 /nfs/dbraw/zinc/29/58/48/1388295848.db2.gz GJTQNFCNLIGNFL-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CCC2CCCCCC2)CCC1 ZINC001326834928 1388325642 /nfs/dbraw/zinc/32/56/42/1388325642.db2.gz QEVVIGOJYGCRAR-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CCC2CCCCCC2)CCC1 ZINC001326834928 1388325647 /nfs/dbraw/zinc/32/56/47/1388325647.db2.gz QEVVIGOJYGCRAR-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC001225947355 1375178357 /nfs/dbraw/zinc/17/83/57/1375178357.db2.gz VLJCVZFFGVVODB-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961993 1375179777 /nfs/dbraw/zinc/17/97/77/1375179777.db2.gz UGNIJUJZBQFFRY-ADDHZHGLSA-N 2 2 332.492 3.106 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073505 1375384539 /nfs/dbraw/zinc/38/45/39/1375384539.db2.gz NLYWRGFGQQMJAU-IAGOWNOFSA-N 2 2 326.444 3.160 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001227137995 1375396053 /nfs/dbraw/zinc/39/60/53/1375396053.db2.gz FOFZWBPNFQYBFJ-DLBZAZTESA-N 2 2 346.519 3.139 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](CCC2CCCCCC2)CC1 ZINC001227138547 1375396391 /nfs/dbraw/zinc/39/63/91/1375396391.db2.gz NKQMPFDBWGHVDS-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546032 1375452291 /nfs/dbraw/zinc/45/22/91/1375452291.db2.gz HXDGCMNNHIJUSZ-ASIGSXEYSA-N 2 2 346.519 3.379 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546032 1375452296 /nfs/dbraw/zinc/45/22/96/1375452296.db2.gz HXDGCMNNHIJUSZ-ASIGSXEYSA-N 2 2 346.519 3.379 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529943 1375589453 /nfs/dbraw/zinc/58/94/53/1375589453.db2.gz ZQVGVPCZIFLALV-GVDBMIGSSA-N 2 2 346.519 3.427 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001132874685 1375615444 /nfs/dbraw/zinc/61/54/44/1375615444.db2.gz LKROGZJNVMXAIT-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001132874685 1375615452 /nfs/dbraw/zinc/61/54/52/1375615452.db2.gz LKROGZJNVMXAIT-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132921549 1375645793 /nfs/dbraw/zinc/64/57/93/1375645793.db2.gz ZUKBDNYQEQFPCA-HOCLYGCPSA-N 2 2 328.460 3.051 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001132923200 1375646184 /nfs/dbraw/zinc/64/61/84/1375646184.db2.gz DRLFXDOVWQDHTQ-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132983445 1375693590 /nfs/dbraw/zinc/69/35/90/1375693590.db2.gz ZIEKCEKHBRFJDN-IRXDYDNUSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001132993387 1375700604 /nfs/dbraw/zinc/70/06/04/1375700604.db2.gz RHZBUANUMDMBJJ-DYVFJYSZSA-N 2 2 335.467 3.054 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001133001637 1375704132 /nfs/dbraw/zinc/70/41/32/1375704132.db2.gz DIYSPDVFTBEFDX-KSSFIOAISA-N 2 2 331.504 3.351 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001229046406 1375750580 /nfs/dbraw/zinc/75/05/80/1375750580.db2.gz NXHPVGLCJMOSSW-KFKAGJAMSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001229046406 1375750582 /nfs/dbraw/zinc/75/05/82/1375750582.db2.gz NXHPVGLCJMOSSW-KFKAGJAMSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc(C)n1 ZINC001231996783 1376375643 /nfs/dbraw/zinc/37/56/43/1376375643.db2.gz HCOUJWHYXDAVSY-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc(C)n1 ZINC001231996783 1376375649 /nfs/dbraw/zinc/37/56/49/1376375649.db2.gz HCOUJWHYXDAVSY-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc(C)n1 ZINC001231996783 1376375658 /nfs/dbraw/zinc/37/56/58/1376375658.db2.gz HCOUJWHYXDAVSY-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc(C)n1 ZINC001231996783 1376375662 /nfs/dbraw/zinc/37/56/62/1376375662.db2.gz HCOUJWHYXDAVSY-HXUWFJFHSA-N 2 2 331.504 3.021 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011757 1376381900 /nfs/dbraw/zinc/38/19/00/1376381900.db2.gz ONHMGPJVHNXFDS-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011757 1376381912 /nfs/dbraw/zinc/38/19/12/1376381912.db2.gz ONHMGPJVHNXFDS-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c(C)c1 ZINC001232188658 1376415617 /nfs/dbraw/zinc/41/56/17/1376415617.db2.gz RCICSGPYBQNQOO-UHFFFAOYSA-N 2 2 347.478 3.352 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234766 1376427509 /nfs/dbraw/zinc/42/75/09/1376427509.db2.gz JYRPSLWYIFOTQK-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC001232281327 1376431299 /nfs/dbraw/zinc/43/12/99/1376431299.db2.gz IBCLJGVKHULRFZ-UHFFFAOYSA-N 2 2 329.941 3.251 20 0 EGADLP Nc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232369824 1376451472 /nfs/dbraw/zinc/45/14/72/1376451472.db2.gz OSSJBYUOPCKUGT-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001232369824 1376451474 /nfs/dbraw/zinc/45/14/74/1376451474.db2.gz OSSJBYUOPCKUGT-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369824 1376451475 /nfs/dbraw/zinc/45/14/75/1376451475.db2.gz OSSJBYUOPCKUGT-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001232369824 1376451477 /nfs/dbraw/zinc/45/14/77/1376451477.db2.gz OSSJBYUOPCKUGT-NRFANRHFSA-N 2 2 336.483 3.152 20 0 EGADLP CNc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232669239 1376497430 /nfs/dbraw/zinc/49/74/30/1376497430.db2.gz CNIUDSFQMAPKDO-PZJWPPBQSA-N 2 2 343.515 3.051 20 0 EGADLP CNc1ccccc1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232669239 1376497433 /nfs/dbraw/zinc/49/74/33/1376497433.db2.gz CNIUDSFQMAPKDO-PZJWPPBQSA-N 2 2 343.515 3.051 20 0 EGADLP CNc1ccccc1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232669239 1376497436 /nfs/dbraw/zinc/49/74/36/1376497436.db2.gz CNIUDSFQMAPKDO-PZJWPPBQSA-N 2 2 343.515 3.051 20 0 EGADLP CNc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001232669239 1376497439 /nfs/dbraw/zinc/49/74/39/1376497439.db2.gz CNIUDSFQMAPKDO-PZJWPPBQSA-N 2 2 343.515 3.051 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C)ccn12 ZINC001134369385 1376497454 /nfs/dbraw/zinc/49/74/54/1376497454.db2.gz KQHZRHURRQYNLG-LSDHHAIUSA-N 2 2 330.476 3.175 20 0 EGADLP CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(F)n1 ZINC001233118687 1376572136 /nfs/dbraw/zinc/57/21/36/1376572136.db2.gz PFXQOGVXOKOPGU-IRXDYDNUSA-N 2 2 334.483 3.126 20 0 EGADLP CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(F)n1 ZINC001233118687 1376572140 /nfs/dbraw/zinc/57/21/40/1376572140.db2.gz PFXQOGVXOKOPGU-IRXDYDNUSA-N 2 2 334.483 3.126 20 0 EGADLP CN(C)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(F)n1 ZINC001233118687 1376572144 /nfs/dbraw/zinc/57/21/44/1376572144.db2.gz PFXQOGVXOKOPGU-IRXDYDNUSA-N 2 2 334.483 3.126 20 0 EGADLP CN(C)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(F)n1 ZINC001233118687 1376572147 /nfs/dbraw/zinc/57/21/47/1376572147.db2.gz PFXQOGVXOKOPGU-IRXDYDNUSA-N 2 2 334.483 3.126 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCCC1CCCC1 ZINC001134544100 1376584933 /nfs/dbraw/zinc/58/49/33/1376584933.db2.gz CPGBNUJHQVHKBZ-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCCC1CCCC1 ZINC001134544100 1376584937 /nfs/dbraw/zinc/58/49/37/1376584937.db2.gz CPGBNUJHQVHKBZ-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729784 1376682650 /nfs/dbraw/zinc/68/26/50/1376682650.db2.gz MTCWLQJOWHDPKL-CABCVRRESA-N 2 2 336.524 3.236 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2CC(C)(C)C2)c[nH+]1 ZINC001134730499 1376683426 /nfs/dbraw/zinc/68/34/26/1376683426.db2.gz YOCFACYLILTGHK-LSDHHAIUSA-N 2 2 348.535 3.236 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739559 1376689102 /nfs/dbraw/zinc/68/91/02/1376689102.db2.gz GSGHPDSABJOUQX-KBPBESRZSA-N 2 2 328.460 3.240 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964077 1376813681 /nfs/dbraw/zinc/81/36/81/1376813681.db2.gz DYLIHTKNPPWMAC-JKSUJKDBSA-N 2 2 330.476 3.401 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCC1 ZINC001134969616 1376818843 /nfs/dbraw/zinc/81/88/43/1376818843.db2.gz NEJPFFPGIWRXFV-CVEARBPZSA-N 2 2 342.487 3.401 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134971727 1376819408 /nfs/dbraw/zinc/81/94/08/1376819408.db2.gz ZBTFUIMOZPWUCE-JKSUJKDBSA-N 2 2 340.471 3.321 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970589 1376819438 /nfs/dbraw/zinc/81/94/38/1376819438.db2.gz RAQYPZWSUYWFSM-LSDHHAIUSA-N 2 2 342.487 3.257 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235026671 1376830758 /nfs/dbraw/zinc/83/07/58/1376830758.db2.gz PNVLYNHYVJOJEG-UHFFFAOYSA-N 2 2 332.451 3.105 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235026671 1376830761 /nfs/dbraw/zinc/83/07/61/1376830761.db2.gz PNVLYNHYVJOJEG-UHFFFAOYSA-N 2 2 332.451 3.105 20 0 EGADLP Oc1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428347 1376869670 /nfs/dbraw/zinc/86/96/70/1376869670.db2.gz PORHNILZPFTYEW-CHWSQXEVSA-N 2 2 326.843 3.396 20 0 EGADLP Oc1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428347 1376869672 /nfs/dbraw/zinc/86/96/72/1376869672.db2.gz PORHNILZPFTYEW-CHWSQXEVSA-N 2 2 326.843 3.396 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135057638 1376872542 /nfs/dbraw/zinc/87/25/42/1376872542.db2.gz YQELWDOTXJSSNU-DLBZAZTESA-N 2 2 348.535 3.196 20 0 EGADLP CC(C)c1cc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)ccc1Cl ZINC001235703960 1376884412 /nfs/dbraw/zinc/88/44/12/1376884412.db2.gz WOELUVBASQMPMW-UHFFFAOYSA-N 2 2 335.923 3.333 20 0 EGADLP CC(C)c1cc(CN2CC[NH+](C3CC[NH2+]CC3)CC2)ccc1Cl ZINC001235703960 1376884418 /nfs/dbraw/zinc/88/44/18/1376884418.db2.gz WOELUVBASQMPMW-UHFFFAOYSA-N 2 2 335.923 3.333 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098422 1376897599 /nfs/dbraw/zinc/89/75/99/1376897599.db2.gz XQGGBWZTSWMWGH-JKSUJKDBSA-N 2 2 340.471 3.159 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001135136510 1376925940 /nfs/dbraw/zinc/92/59/40/1376925940.db2.gz JCDUFOWCZXWKJX-IRXDYDNUSA-N 2 2 346.519 3.117 20 0 EGADLP Fc1ccc(C[N@H+](CCCc2cccnc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389186 1376951834 /nfs/dbraw/zinc/95/18/34/1376951834.db2.gz ULNWFQHWFLAHQK-FQEVSTJZSA-N 2 2 327.447 3.408 20 0 EGADLP Fc1ccc(C[N@@H+](CCCc2cccnc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236389186 1376951844 /nfs/dbraw/zinc/95/18/44/1376951844.db2.gz ULNWFQHWFLAHQK-FQEVSTJZSA-N 2 2 327.447 3.408 20 0 EGADLP CCC[N@@H+](Cc1cc(O)c(C)cc1Br)C[C@H]1CC[NH2+]C1 ZINC001236845053 1376966571 /nfs/dbraw/zinc/96/65/71/1376966571.db2.gz YGUBFPGKIHLSBR-ZDUSSCGKSA-N 2 2 341.293 3.285 20 0 EGADLP CCC[N@H+](Cc1cc(O)c(C)cc1Br)C[C@H]1CC[NH2+]C1 ZINC001236845053 1376966575 /nfs/dbraw/zinc/96/65/75/1376966575.db2.gz YGUBFPGKIHLSBR-ZDUSSCGKSA-N 2 2 341.293 3.285 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2ccc(Cl)c3c[nH]nc32)C1 ZINC001244400001 1377036674 /nfs/dbraw/zinc/03/66/74/1377036674.db2.gz UYBXKOZSMXAFJE-ZDUSSCGKSA-N 2 2 326.831 3.416 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)c3c[nH]nc32)C1 ZINC001244400001 1377036676 /nfs/dbraw/zinc/03/66/76/1377036676.db2.gz UYBXKOZSMXAFJE-ZDUSSCGKSA-N 2 2 326.831 3.416 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246938691 1377055970 /nfs/dbraw/zinc/05/59/70/1377055970.db2.gz SJHXXQDOZWFVPM-LPHOPBHVSA-N 2 2 349.494 3.027 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246938691 1377055974 /nfs/dbraw/zinc/05/59/74/1377055974.db2.gz SJHXXQDOZWFVPM-LPHOPBHVSA-N 2 2 349.494 3.027 20 0 EGADLP C[N@@H+]1CCC[C@@H]([NH+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106939 /nfs/dbraw/zinc/10/69/39/1377106939.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@@H]([NH+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106942 /nfs/dbraw/zinc/10/69/42/1377106942.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106944 /nfs/dbraw/zinc/10/69/44/1377106944.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526681 1377106947 /nfs/dbraw/zinc/10/69/47/1377106947.db2.gz STROCVWABRHPKW-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798979 1377213184 /nfs/dbraw/zinc/21/31/84/1377213184.db2.gz PPNVQKISDPNMRE-CVEARBPZSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH2+]C/C=C/Cl ZINC001135840259 1377228496 /nfs/dbraw/zinc/22/84/96/1377228496.db2.gz FZRYJMAFLQZNMZ-PWZNUNQRSA-N 2 2 346.862 3.111 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136053629 1377315134 /nfs/dbraw/zinc/31/51/34/1377315134.db2.gz CPMHQROOODZYFZ-IRXDYDNUSA-N 2 2 346.519 3.116 20 0 EGADLP Cc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001136970217 1377447214 /nfs/dbraw/zinc/44/72/14/1377447214.db2.gz KFHXDZCVYLZWNV-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001136970217 1377447216 /nfs/dbraw/zinc/44/72/16/1377447216.db2.gz KFHXDZCVYLZWNV-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001136970217 1377447220 /nfs/dbraw/zinc/44/72/20/1377447220.db2.gz KFHXDZCVYLZWNV-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001136970217 1377447222 /nfs/dbraw/zinc/44/72/22/1377447222.db2.gz KFHXDZCVYLZWNV-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Clc1ncsc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137820052 1377622201 /nfs/dbraw/zinc/62/22/01/1377622201.db2.gz PQAVQJPGUYOYMV-CABCVRRESA-N 2 2 348.903 3.145 20 0 EGADLP Clc1ncsc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137820052 1377622202 /nfs/dbraw/zinc/62/22/02/1377622202.db2.gz PQAVQJPGUYOYMV-CABCVRRESA-N 2 2 348.903 3.145 20 0 EGADLP Clc1ncsc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001137820052 1377622203 /nfs/dbraw/zinc/62/22/03/1377622203.db2.gz PQAVQJPGUYOYMV-CABCVRRESA-N 2 2 348.903 3.145 20 0 EGADLP Clc1ncsc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001137820052 1377622204 /nfs/dbraw/zinc/62/22/04/1377622204.db2.gz PQAVQJPGUYOYMV-CABCVRRESA-N 2 2 348.903 3.145 20 0 EGADLP Oc1cccnc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001138396327 1377715523 /nfs/dbraw/zinc/71/55/23/1377715523.db2.gz QZHPYHVORYYDDA-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3sc4ccccc4c3C)C[C@@H]2C1 ZINC001138460735 1377727185 /nfs/dbraw/zinc/72/71/85/1377727185.db2.gz JYNFWFUOXDCIFD-DOTOQJQBSA-N 2 2 330.497 3.362 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3sc4ccccc4c3C)C[C@@H]2C1 ZINC001138460735 1377727186 /nfs/dbraw/zinc/72/71/86/1377727186.db2.gz JYNFWFUOXDCIFD-DOTOQJQBSA-N 2 2 330.497 3.362 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3sc4ccccc4c3C)C[C@@H]2C1 ZINC001138460735 1377727187 /nfs/dbraw/zinc/72/71/87/1377727187.db2.gz JYNFWFUOXDCIFD-DOTOQJQBSA-N 2 2 330.497 3.362 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3sc4ccccc4c3C)C[C@@H]2C1 ZINC001138460735 1377727188 /nfs/dbraw/zinc/72/71/88/1377727188.db2.gz JYNFWFUOXDCIFD-DOTOQJQBSA-N 2 2 330.497 3.362 20 0 EGADLP COCC[N@H+](Cc1cccn1-c1ccccc1F)C1CC[NH+](C)CC1 ZINC001138632685 1377757661 /nfs/dbraw/zinc/75/76/61/1377757661.db2.gz BLVIOZGDFKWNKH-UHFFFAOYSA-N 2 2 345.462 3.159 20 0 EGADLP COCC[N@@H+](Cc1cccn1-c1ccccc1F)C1CC[NH+](C)CC1 ZINC001138632685 1377757666 /nfs/dbraw/zinc/75/76/66/1377757666.db2.gz BLVIOZGDFKWNKH-UHFFFAOYSA-N 2 2 345.462 3.159 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)CCCO4)CC2)CC1 ZINC001138718042 1377772872 /nfs/dbraw/zinc/77/28/72/1377772872.db2.gz WMGDJQVKDCHBSS-UHFFFAOYSA-N 2 2 344.499 3.087 20 0 EGADLP COCC[N@H+](Cc1ccc(OCC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001138971554 1377811543 /nfs/dbraw/zinc/81/15/43/1377811543.db2.gz RTWCVCPMCTUYCI-UHFFFAOYSA-N 2 2 334.504 3.264 20 0 EGADLP COCC[N@@H+](Cc1ccc(OCC(C)C)cc1)C1CC[NH+](C)CC1 ZINC001138971554 1377811545 /nfs/dbraw/zinc/81/15/45/1377811545.db2.gz RTWCVCPMCTUYCI-UHFFFAOYSA-N 2 2 334.504 3.264 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)c(OCC)c3)C[C@@H]2C1 ZINC001138976533 1377811884 /nfs/dbraw/zinc/81/18/84/1377811884.db2.gz HPPOUHAROZMGEV-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)c(OCC)c3)C[C@@H]2C1 ZINC001138976533 1377811886 /nfs/dbraw/zinc/81/18/86/1377811886.db2.gz HPPOUHAROZMGEV-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC)c(OCC)c3)C[C@@H]2C1 ZINC001138976533 1377811888 /nfs/dbraw/zinc/81/18/88/1377811888.db2.gz HPPOUHAROZMGEV-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC)c(OCC)c3)C[C@@H]2C1 ZINC001138976533 1377811890 /nfs/dbraw/zinc/81/18/90/1377811890.db2.gz HPPOUHAROZMGEV-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c21 ZINC001139194439 1377848317 /nfs/dbraw/zinc/84/83/17/1377848317.db2.gz MOVJTJILFLWIMO-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP CCc1noc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139362299 1377874417 /nfs/dbraw/zinc/87/44/17/1377874417.db2.gz KRGXWCUTRGYTFY-INIZCTEOSA-N 2 2 337.427 3.197 20 0 EGADLP CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139362299 1377874418 /nfs/dbraw/zinc/87/44/18/1377874418.db2.gz KRGXWCUTRGYTFY-INIZCTEOSA-N 2 2 337.427 3.197 20 0 EGADLP COCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001139827512 1377957954 /nfs/dbraw/zinc/95/79/54/1377957954.db2.gz ZLRMHGHJRDZIHP-QZTJIDSGSA-N 2 2 342.508 3.458 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+](CC)CCC[NH+](C)C ZINC001139866152 1377966234 /nfs/dbraw/zinc/96/62/34/1377966234.db2.gz JETDMIRYDBOCJG-UHFFFAOYSA-N 2 2 345.487 3.427 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](CC)CCC[NH+](C)C ZINC001139866152 1377966237 /nfs/dbraw/zinc/96/62/37/1377966237.db2.gz JETDMIRYDBOCJG-UHFFFAOYSA-N 2 2 345.487 3.427 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@H]3C2)c1 ZINC001140385283 1378055180 /nfs/dbraw/zinc/05/51/80/1378055180.db2.gz ASOQHASCGCNYTP-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@H]3C2)c1 ZINC001140385283 1378055181 /nfs/dbraw/zinc/05/51/81/1378055181.db2.gz ASOQHASCGCNYTP-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5n[nH]cc5c4)C[C@H]3C2)c1 ZINC001140385283 1378055182 /nfs/dbraw/zinc/05/51/82/1378055182.db2.gz ASOQHASCGCNYTP-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5n[nH]cc5c4)C[C@H]3C2)c1 ZINC001140385283 1378055183 /nfs/dbraw/zinc/05/51/83/1378055183.db2.gz ASOQHASCGCNYTP-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5ccncc54)C[C@H]3C2)nc1 ZINC001140643250 1378103662 /nfs/dbraw/zinc/10/36/62/1378103662.db2.gz PXBGXCKGUVYNFU-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5ccncc54)C[C@H]3C2)nc1 ZINC001140643250 1378103663 /nfs/dbraw/zinc/10/36/63/1378103663.db2.gz PXBGXCKGUVYNFU-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5ccncc54)C[C@H]3C2)nc1 ZINC001140643250 1378103665 /nfs/dbraw/zinc/10/36/65/1378103665.db2.gz PXBGXCKGUVYNFU-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5ccncc54)C[C@H]3C2)nc1 ZINC001140643250 1378103668 /nfs/dbraw/zinc/10/36/68/1378103668.db2.gz PXBGXCKGUVYNFU-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140779577 1378134178 /nfs/dbraw/zinc/13/41/78/1378134178.db2.gz RCRKZLPRAQVVTL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140779577 1378134179 /nfs/dbraw/zinc/13/41/79/1378134179.db2.gz RCRKZLPRAQVVTL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140779577 1378134180 /nfs/dbraw/zinc/13/41/80/1378134180.db2.gz RCRKZLPRAQVVTL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001140779577 1378134181 /nfs/dbraw/zinc/13/41/81/1378134181.db2.gz RCRKZLPRAQVVTL-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC001140801473 1378140621 /nfs/dbraw/zinc/14/06/21/1378140621.db2.gz OTXCHRCMBRCLFV-UHFFFAOYSA-N 2 2 349.463 3.495 20 0 EGADLP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141049519 1378220325 /nfs/dbraw/zinc/22/03/25/1378220325.db2.gz IEBLLVJJUGGONR-GOSISDBHSA-N 2 2 341.455 3.280 20 0 EGADLP CN(CC[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC001141238531 1378280525 /nfs/dbraw/zinc/28/05/25/1378280525.db2.gz LZMRXJMKGLTKBW-UHFFFAOYSA-N 2 2 344.459 3.171 20 0 EGADLP CN(CC[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC001141238531 1378280531 /nfs/dbraw/zinc/28/05/31/1378280531.db2.gz LZMRXJMKGLTKBW-UHFFFAOYSA-N 2 2 344.459 3.171 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@H]2C1 ZINC001141611878 1378350722 /nfs/dbraw/zinc/35/07/22/1378350722.db2.gz KYJLASPJPFEJAI-ZIAGYGMSSA-N 2 2 328.378 3.098 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611587 1378350835 /nfs/dbraw/zinc/35/08/35/1378350835.db2.gz DMEVDPDZXUIYFD-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611587 1378350837 /nfs/dbraw/zinc/35/08/37/1378350837.db2.gz DMEVDPDZXUIYFD-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611587 1378350839 /nfs/dbraw/zinc/35/08/39/1378350839.db2.gz DMEVDPDZXUIYFD-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611587 1378350842 /nfs/dbraw/zinc/35/08/42/1378350842.db2.gz DMEVDPDZXUIYFD-GASCZTMLSA-N 2 2 342.405 3.488 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001280823173 1378382974 /nfs/dbraw/zinc/38/29/74/1378382974.db2.gz SXGDBQZFBWOIEQ-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001280823173 1378382975 /nfs/dbraw/zinc/38/29/75/1378382975.db2.gz SXGDBQZFBWOIEQ-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001280823173 1378382976 /nfs/dbraw/zinc/38/29/76/1378382976.db2.gz SXGDBQZFBWOIEQ-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001280823173 1378382977 /nfs/dbraw/zinc/38/29/77/1378382977.db2.gz SXGDBQZFBWOIEQ-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2C)CC1 ZINC001142935070 1378513243 /nfs/dbraw/zinc/51/32/43/1378513243.db2.gz NLLDDNBVWAJNHR-IBGZPJMESA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(OC)cc2C)CC1 ZINC001142935070 1378513246 /nfs/dbraw/zinc/51/32/46/1378513246.db2.gz NLLDDNBVWAJNHR-IBGZPJMESA-N 2 2 346.515 3.387 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@@H]3C2)c1 ZINC001143213863 1378562398 /nfs/dbraw/zinc/56/23/98/1378562398.db2.gz CILMRLLNWOBKSY-HZPDHXFCSA-N 2 2 338.480 3.188 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001153350849 1380061339 /nfs/dbraw/zinc/06/13/39/1380061339.db2.gz LGXLQLAIPDTLCD-UHFFFAOYSA-N 2 2 348.535 3.222 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001153351124 1380062112 /nfs/dbraw/zinc/06/21/12/1380062112.db2.gz OIWIDVICNCYCRT-QGZVFWFLSA-N 2 2 348.878 3.174 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083047 1380201212 /nfs/dbraw/zinc/20/12/12/1380201212.db2.gz DKOBVPPBXQLBQF-NVXWUHKLSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083047 1380201214 /nfs/dbraw/zinc/20/12/14/1380201214.db2.gz DKOBVPPBXQLBQF-NVXWUHKLSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083047 1380201218 /nfs/dbraw/zinc/20/12/18/1380201218.db2.gz DKOBVPPBXQLBQF-NVXWUHKLSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083047 1380201222 /nfs/dbraw/zinc/20/12/22/1380201222.db2.gz DKOBVPPBXQLBQF-NVXWUHKLSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083048 1380201901 /nfs/dbraw/zinc/20/19/01/1380201901.db2.gz DKOBVPPBXQLBQF-WBVHZDCISA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083048 1380201904 /nfs/dbraw/zinc/20/19/04/1380201904.db2.gz DKOBVPPBXQLBQF-WBVHZDCISA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083048 1380201907 /nfs/dbraw/zinc/20/19/07/1380201907.db2.gz DKOBVPPBXQLBQF-WBVHZDCISA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083048 1380201922 /nfs/dbraw/zinc/20/19/22/1380201922.db2.gz DKOBVPPBXQLBQF-WBVHZDCISA-N 2 2 348.535 3.086 20 0 EGADLP COc1cc2ccc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)[nH+]c2cc1OC ZINC001155032191 1380395151 /nfs/dbraw/zinc/39/51/51/1380395151.db2.gz OJVPMVUSMONKNQ-ZFWWWQNUSA-N 2 2 329.444 3.300 20 0 EGADLP Cc1cc(-c2cccc(F)c2)nnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063643 1380401203 /nfs/dbraw/zinc/40/12/03/1380401203.db2.gz VRAPIFDIQGCWEY-UHFFFAOYSA-N 2 2 337.402 3.244 20 0 EGADLP CC[N@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521493 1380464150 /nfs/dbraw/zinc/46/41/50/1380464150.db2.gz IJYXOIDNJIAOOH-LSDHHAIUSA-N 2 2 348.516 3.231 20 0 EGADLP CC[N@@H+](Cc1csc(C)c1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521493 1380464151 /nfs/dbraw/zinc/46/41/51/1380464151.db2.gz IJYXOIDNJIAOOH-LSDHHAIUSA-N 2 2 348.516 3.231 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751888 1380489138 /nfs/dbraw/zinc/48/91/38/1380489138.db2.gz UNQRRJJWPOCBFG-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751888 1380489139 /nfs/dbraw/zinc/48/91/39/1380489139.db2.gz UNQRRJJWPOCBFG-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751888 1380489140 /nfs/dbraw/zinc/48/91/40/1380489140.db2.gz UNQRRJJWPOCBFG-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751888 1380489141 /nfs/dbraw/zinc/48/91/41/1380489141.db2.gz UNQRRJJWPOCBFG-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP c1ccc(C[NH+]2CC(CNc3cc(N4CCCCC4)[nH+]cn3)C2)cc1 ZINC001156403024 1380572025 /nfs/dbraw/zinc/57/20/25/1380572025.db2.gz FUIAACQPLNWHST-UHFFFAOYSA-N 2 2 337.471 3.011 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(NCC3CC[NH+](C(C)C)CC3)c2[nH]1 ZINC001156495441 1380583850 /nfs/dbraw/zinc/58/38/50/1380583850.db2.gz DGWJCKQUXXKDTB-UHFFFAOYSA-N 2 2 344.459 3.272 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676463 1380608790 /nfs/dbraw/zinc/60/87/90/1380608790.db2.gz DONXZTLKEDLUIJ-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676463 1380608793 /nfs/dbraw/zinc/60/87/93/1380608793.db2.gz DONXZTLKEDLUIJ-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CCCC(C)(C)C)ccn12 ZINC001158062302 1381117793 /nfs/dbraw/zinc/11/77/93/1381117793.db2.gz VJPBUGKHKOHOFO-UHFFFAOYSA-N 2 2 330.476 3.179 20 0 EGADLP C[NH+]1CCC(N(c2nc(N3CCCCC3)cc[nH+]2)C2CCCC2)CC1 ZINC001158487887 1381265065 /nfs/dbraw/zinc/26/50/65/1381265065.db2.gz QSVUUYKCJZHYEL-UHFFFAOYSA-N 2 2 343.519 3.310 20 0 EGADLP COc1cc(C)c(N(c2[nH+]cccc2N)C2CC[NH2+]CC2)c(C)c1 ZINC001159289492 1381753362 /nfs/dbraw/zinc/75/33/62/1381753362.db2.gz BZSRLMHLIXQABW-UHFFFAOYSA-N 2 2 326.444 3.179 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001159537177 1381820879 /nfs/dbraw/zinc/82/08/79/1381820879.db2.gz NQHKWWVXZIGWMV-INIZCTEOSA-N 2 2 342.487 3.323 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001159537177 1381820882 /nfs/dbraw/zinc/82/08/82/1381820882.db2.gz NQHKWWVXZIGWMV-INIZCTEOSA-N 2 2 342.487 3.323 20 0 EGADLP [NH3+][C@@H]1CCCN(c2ccc(Nc3ccc[nH+]c3N3CCCC3)cc2)C1 ZINC001159980232 1381957477 /nfs/dbraw/zinc/95/74/77/1381957477.db2.gz BSXCXMNXGPEGBF-MRXNPFEDSA-N 2 2 337.471 3.353 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1Cl ZINC001160336843 1382076849 /nfs/dbraw/zinc/07/68/49/1382076849.db2.gz NJZNHONXJMNWHR-NWANDNLSSA-N 2 2 346.862 3.024 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1Cl ZINC001160336843 1382076852 /nfs/dbraw/zinc/07/68/52/1382076852.db2.gz NJZNHONXJMNWHR-NWANDNLSSA-N 2 2 346.862 3.024 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1=CC[N@H+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001160422728 1382100121 /nfs/dbraw/zinc/10/01/21/1382100121.db2.gz DHPGPHSFWFSTPZ-LJQANCHMSA-N 2 2 344.503 3.019 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001160422728 1382100124 /nfs/dbraw/zinc/10/01/24/1382100124.db2.gz DHPGPHSFWFSTPZ-LJQANCHMSA-N 2 2 344.503 3.019 20 0 EGADLP CC[C@H](F)C[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491884 1382121973 /nfs/dbraw/zinc/12/19/73/1382121973.db2.gz KKKLWFKOECVBMO-INIZCTEOSA-N 2 2 344.434 3.063 20 0 EGADLP CC[C@H](F)C[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491884 1382121975 /nfs/dbraw/zinc/12/19/75/1382121975.db2.gz KKKLWFKOECVBMO-INIZCTEOSA-N 2 2 344.434 3.063 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012545 1382270877 /nfs/dbraw/zinc/27/08/77/1382270877.db2.gz CZFVEFJIQRSXFU-NCOADZHNSA-N 2 2 340.471 3.311 20 0 EGADLP CCCCC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356240 1382380803 /nfs/dbraw/zinc/38/08/03/1382380803.db2.gz HFAQFCZNQKGZCJ-QGZVFWFLSA-N 2 2 332.492 3.163 20 0 EGADLP CCCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356240 1382380814 /nfs/dbraw/zinc/38/08/14/1382380814.db2.gz HFAQFCZNQKGZCJ-QGZVFWFLSA-N 2 2 332.492 3.163 20 0 EGADLP CCCc1cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC001162196745 1382654837 /nfs/dbraw/zinc/65/48/37/1382654837.db2.gz CNBCOCGRVJOEEP-UAPYVXQJSA-N 2 2 339.487 3.409 20 0 EGADLP COc1cc(C)c[nH+]c1NCCCP(CCC[NH3+])c1ccccc1 ZINC001162468945 1382766232 /nfs/dbraw/zinc/76/62/32/1382766232.db2.gz JRHKETWAYOBHTA-UHFFFAOYSA-N 2 2 345.427 3.357 20 0 EGADLP CCCc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)nc(CCC)[nH+]1 ZINC001163058081 1382957203 /nfs/dbraw/zinc/95/72/03/1382957203.db2.gz VTQUVJOFBDICIY-INIZCTEOSA-N 2 2 341.503 3.405 20 0 EGADLP CC(C)COc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc[nH+]1 ZINC001163062646 1382959133 /nfs/dbraw/zinc/95/91/33/1382959133.db2.gz ASNOIZQENHSWEX-INIZCTEOSA-N 2 2 328.460 3.140 20 0 EGADLP c1[nH+]c2cc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc2n1-c1ccccc1 ZINC001163320948 1383021694 /nfs/dbraw/zinc/02/16/94/1383021694.db2.gz AWPKFAVDHISPEQ-DYESRHJHSA-N 2 2 348.450 3.349 20 0 EGADLP CCOC(=O)CC1([NH3+])CCN(c2cc(C)c3cccc(C)c3[nH+]2)CC1 ZINC001163527644 1383072045 /nfs/dbraw/zinc/07/20/45/1383072045.db2.gz BLFCOHXEKNYELM-UHFFFAOYSA-N 2 2 341.455 3.103 20 0 EGADLP c1c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc2c3c1CCC[NH+]3CCC2 ZINC001163650068 1383095768 /nfs/dbraw/zinc/09/57/68/1383095768.db2.gz JQYZNMVJVYURKD-PZJWPPBQSA-N 2 2 341.499 3.099 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001164334604 1383178385 /nfs/dbraw/zinc/17/83/85/1383178385.db2.gz HWRJMAFBBKDMDE-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2[nH+]1 ZINC001164493114 1383192899 /nfs/dbraw/zinc/19/28/99/1383192899.db2.gz QQDSITGMZUDEMU-QXAKKESOSA-N 2 2 347.466 3.239 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2[nH+]1 ZINC001164493114 1383192900 /nfs/dbraw/zinc/19/29/00/1383192900.db2.gz QQDSITGMZUDEMU-QXAKKESOSA-N 2 2 347.466 3.239 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH+]c1 ZINC001164492326 1383192943 /nfs/dbraw/zinc/19/29/43/1383192943.db2.gz JSKXYISUVIFGDE-MISYRCLQSA-N 2 2 336.483 3.470 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]c1 ZINC001164492326 1383192945 /nfs/dbraw/zinc/19/29/45/1383192945.db2.gz JSKXYISUVIFGDE-MISYRCLQSA-N 2 2 336.483 3.470 20 0 EGADLP CCCc1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc(C)[nH+]1 ZINC001165270709 1383263054 /nfs/dbraw/zinc/26/30/54/1383263054.db2.gz OPBPWKBIVDVBFL-HNNXBMFYSA-N 2 2 342.409 3.248 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001165383552 1383283203 /nfs/dbraw/zinc/28/32/03/1383283203.db2.gz MGOKXPBXPMVUAD-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001165383552 1383283204 /nfs/dbraw/zinc/28/32/04/1383283204.db2.gz MGOKXPBXPMVUAD-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165638464 1383318193 /nfs/dbraw/zinc/31/81/93/1383318193.db2.gz SKIAJIMZYVCJES-QZTJIDSGSA-N 2 2 348.535 3.393 20 0 EGADLP CSc1cc[nH+]c(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001165668603 1383321843 /nfs/dbraw/zinc/32/18/43/1383321843.db2.gz CCGNCDILUAQEIC-CQSZACIVSA-N 2 2 335.517 3.320 20 0 EGADLP CC(C)(C)N(c1cccc(C2CC2)[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165672143 1383323160 /nfs/dbraw/zinc/32/31/60/1383323160.db2.gz OLQDEEOYNVSWMK-INIZCTEOSA-N 2 2 329.488 3.475 20 0 EGADLP Cc1cc(C)[nH+]c(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001165738863 1383336307 /nfs/dbraw/zinc/33/63/07/1383336307.db2.gz ORGITHMCBVSBRM-KRWDZBQOSA-N 2 2 349.438 3.005 20 0 EGADLP CC1CC(C[NH2+]CC2(CCNC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001165756395 1383340389 /nfs/dbraw/zinc/34/03/89/1383340389.db2.gz GSJCJHQUVBXCFC-UHFFFAOYSA-N 2 2 340.471 3.099 20 0 EGADLP CC(C)CCC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166139143 1383394600 /nfs/dbraw/zinc/39/46/00/1383394600.db2.gz ZTXLGMAAVDOPPN-UHFFFAOYSA-N 2 2 342.487 3.260 20 0 EGADLP CSc1nc(N2CCCC2)cc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001167751460 1383729682 /nfs/dbraw/zinc/72/96/82/1383729682.db2.gz KVHICHXKWIAKLB-HNNXBMFYSA-N 2 2 349.548 3.475 20 0 EGADLP CSc1nc(N2CCCC2)cc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC001167751460 1383729685 /nfs/dbraw/zinc/72/96/85/1383729685.db2.gz KVHICHXKWIAKLB-HNNXBMFYSA-N 2 2 349.548 3.475 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001167826236 1383750285 /nfs/dbraw/zinc/75/02/85/1383750285.db2.gz NASIBMSZHRYPOM-SFHVURJKSA-N 3 2 349.567 3.049 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001167826236 1383750288 /nfs/dbraw/zinc/75/02/88/1383750288.db2.gz NASIBMSZHRYPOM-SFHVURJKSA-N 3 2 349.567 3.049 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001167826236 1383750290 /nfs/dbraw/zinc/75/02/90/1383750290.db2.gz NASIBMSZHRYPOM-SFHVURJKSA-N 3 2 349.567 3.049 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001167991330 1383789620 /nfs/dbraw/zinc/78/96/20/1383789620.db2.gz MSMCBUBACYVNNI-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001167991330 1383789621 /nfs/dbraw/zinc/78/96/21/1383789621.db2.gz MSMCBUBACYVNNI-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001303303056 1383792280 /nfs/dbraw/zinc/79/22/80/1383792280.db2.gz GTYDCYWFVWYPCD-IBGZPJMESA-N 2 2 349.494 3.201 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168030789 1383800126 /nfs/dbraw/zinc/80/01/26/1383800126.db2.gz XODGRYYBIOWYIZ-HRQSHJORSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030789 1383800131 /nfs/dbraw/zinc/80/01/31/1383800131.db2.gz XODGRYYBIOWYIZ-HRQSHJORSA-N 2 2 339.483 3.146 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168043177 1383803273 /nfs/dbraw/zinc/80/32/73/1383803273.db2.gz BFASYCLVFCALLD-SHJAMOMRSA-N 2 2 344.499 3.456 20 0 EGADLP COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168043177 1383803278 /nfs/dbraw/zinc/80/32/78/1383803278.db2.gz BFASYCLVFCALLD-SHJAMOMRSA-N 2 2 344.499 3.456 20 0 EGADLP COC(=O)[C@@]1(C)CCC[NH+]1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168043177 1383803281 /nfs/dbraw/zinc/80/32/81/1383803281.db2.gz BFASYCLVFCALLD-SHJAMOMRSA-N 2 2 344.499 3.456 20 0 EGADLP COC(=O)[C@@]1(C)CCC[NH+]1[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168043177 1383803284 /nfs/dbraw/zinc/80/32/84/1383803284.db2.gz BFASYCLVFCALLD-SHJAMOMRSA-N 2 2 344.499 3.456 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001168066571 1383809529 /nfs/dbraw/zinc/80/95/29/1383809529.db2.gz QERUWKBJZZFEPW-FMWKFLBASA-N 3 2 341.543 3.312 20 0 EGADLP Fc1ccc(Cn2cncc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168364648 1383884276 /nfs/dbraw/zinc/88/42/76/1383884276.db2.gz GKIBNCCHNYTLNG-UHFFFAOYSA-N 2 2 342.462 3.035 20 0 EGADLP Fc1ccccc1-c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)on1 ZINC001168368907 1383885906 /nfs/dbraw/zinc/88/59/06/1383885906.db2.gz SFMOTRXWMDNIPA-UHFFFAOYSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc2c(c1)CC[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168446993 1383907973 /nfs/dbraw/zinc/90/79/73/1383907973.db2.gz UPDIZRZXWKYGRR-IBGZPJMESA-N 2 2 325.431 3.337 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168655549 1383959410 /nfs/dbraw/zinc/95/94/10/1383959410.db2.gz ZCJLCUYPXWQDFF-UYAOXDASSA-N 2 2 332.488 3.331 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168655549 1383959418 /nfs/dbraw/zinc/95/94/18/1383959418.db2.gz ZCJLCUYPXWQDFF-UYAOXDASSA-N 2 2 332.488 3.331 20 0 EGADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001169101256 1384107286 /nfs/dbraw/zinc/10/72/86/1384107286.db2.gz PWWRJUUAAVADMJ-YVSFHVDLSA-N 2 2 336.863 3.159 20 0 EGADLP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001169101256 1384107287 /nfs/dbraw/zinc/10/72/87/1384107287.db2.gz PWWRJUUAAVADMJ-YVSFHVDLSA-N 2 2 336.863 3.159 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC001308218186 1384109826 /nfs/dbraw/zinc/10/98/26/1384109826.db2.gz WUOCBXRGPNOZTA-KRWDZBQOSA-N 2 2 327.476 3.083 20 0 EGADLP O=C1OCCN1c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001308218347 1384109938 /nfs/dbraw/zinc/10/99/38/1384109938.db2.gz BZHLBRFDQBJDKT-UHFFFAOYSA-N 2 2 348.406 3.119 20 0 EGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)nn2)c1C ZINC001169140352 1384112224 /nfs/dbraw/zinc/11/22/24/1384112224.db2.gz FVAQIKTXOUZRJT-DNVCBOLYSA-N 2 2 342.491 3.235 20 0 EGADLP CC(C)(C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCC1 ZINC001308406608 1384124391 /nfs/dbraw/zinc/12/43/91/1384124391.db2.gz FJADHUAVIJHOHZ-UHFFFAOYSA-N 2 2 346.515 3.314 20 0 EGADLP CCC(=O)N(c1ccccc1)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001169244248 1384126975 /nfs/dbraw/zinc/12/69/75/1384126975.db2.gz JSRWLJCZDITPPA-UHFFFAOYSA-N 2 2 343.515 3.378 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC001169258593 1384128498 /nfs/dbraw/zinc/12/84/98/1384128498.db2.gz NVIMECDUSFKOOK-UHFFFAOYSA-N 2 2 330.472 3.074 20 0 EGADLP CCOC(=O)[C@H]1CC[N@@H+](C2CC[NH+](CC)CC2)C[C@H]1c1ccccc1 ZINC001169266585 1384129776 /nfs/dbraw/zinc/12/97/76/1384129776.db2.gz WRGYXWGWIPKSFA-PMACEKPBSA-N 2 2 344.499 3.140 20 0 EGADLP CCOC(=O)[C@H]1CC[N@H+](C2CC[NH+](CC)CC2)C[C@H]1c1ccccc1 ZINC001169266585 1384129777 /nfs/dbraw/zinc/12/97/77/1384129777.db2.gz WRGYXWGWIPKSFA-PMACEKPBSA-N 2 2 344.499 3.140 20 0 EGADLP CC1CC[NH+](CC[NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169267864 1384130185 /nfs/dbraw/zinc/13/01/85/1384130185.db2.gz AHGCTGCLLMEBGF-UHFFFAOYSA-N 2 2 344.499 3.476 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169283420 1384131915 /nfs/dbraw/zinc/13/19/15/1384131915.db2.gz NCRUSNXXHFISGX-GPJFCIFZSA-N 2 2 344.499 3.475 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169283420 1384131918 /nfs/dbraw/zinc/13/19/18/1384131918.db2.gz NCRUSNXXHFISGX-GPJFCIFZSA-N 2 2 344.499 3.475 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1CC[NH+](CC)CC1 ZINC001308612340 1384136492 /nfs/dbraw/zinc/13/64/92/1384136492.db2.gz YJEFMSLVNKRVCI-UHFFFAOYSA-N 3 2 344.547 3.352 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1CC[NH+](CC)CC1 ZINC001308612340 1384136493 /nfs/dbraw/zinc/13/64/93/1384136493.db2.gz YJEFMSLVNKRVCI-UHFFFAOYSA-N 3 2 344.547 3.352 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCC([N@H+](C)CCCO)CC2)c2ccsc2S1 ZINC001308625245 1384137371 /nfs/dbraw/zinc/13/73/71/1384137371.db2.gz XNUQTRFSUAILDU-BBRMVZONSA-N 2 2 340.558 3.452 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)c2ccsc2S1 ZINC001308625245 1384137372 /nfs/dbraw/zinc/13/73/72/1384137372.db2.gz XNUQTRFSUAILDU-BBRMVZONSA-N 2 2 340.558 3.452 20 0 EGADLP CC(C)CCC[C@@H](C)[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001170065235 1384227864 /nfs/dbraw/zinc/22/78/64/1384227864.db2.gz YTWSMNCIUUWYKT-GOSISDBHSA-N 2 2 345.531 3.311 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471648 1384326060 /nfs/dbraw/zinc/32/60/60/1384326060.db2.gz FFLWAEMMIBTEMW-KEGWNNHHSA-N 2 2 334.508 3.353 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150498 1384455370 /nfs/dbraw/zinc/45/53/70/1384455370.db2.gz BAUONIWELZOMAA-SJORKVTESA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150498 1384455372 /nfs/dbraw/zinc/45/53/72/1384455372.db2.gz BAUONIWELZOMAA-SJORKVTESA-N 2 2 336.524 3.289 20 0 EGADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(Cn4cc[nH+]c4)cn3)c2c1 ZINC001171165497 1384458453 /nfs/dbraw/zinc/45/84/53/1384458453.db2.gz IWUWJMZADUDIFH-MRXNPFEDSA-N 2 2 345.450 3.468 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171475549 1384533743 /nfs/dbraw/zinc/53/37/43/1384533743.db2.gz LMOODDZJSQGPEQ-INIZCTEOSA-N 2 2 336.524 3.381 20 0 EGADLP C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527401 1384551765 /nfs/dbraw/zinc/55/17/65/1384551765.db2.gz MTFFXAXRCNSIDU-LVDDQXARSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001171606415 1384577710 /nfs/dbraw/zinc/57/77/10/1384577710.db2.gz WYYQVGQDJCHLKL-NVXWUHKLSA-N 2 2 348.535 3.134 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001171606415 1384577713 /nfs/dbraw/zinc/57/77/13/1384577713.db2.gz WYYQVGQDJCHLKL-NVXWUHKLSA-N 2 2 348.535 3.134 20 0 EGADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])cc1 ZINC001171663620 1384595035 /nfs/dbraw/zinc/59/50/35/1384595035.db2.gz NWTHKUJRUPMUCX-COPCDDAFSA-N 2 2 337.511 3.117 20 0 EGADLP Cc1[nH+]cn([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1CC[NH3+] ZINC001171831717 1384654450 /nfs/dbraw/zinc/65/44/50/1384654450.db2.gz PBOYZBPNZKECKL-OAHLLOKOSA-N 2 2 348.491 3.187 20 0 EGADLP Cn1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978320 1384701883 /nfs/dbraw/zinc/70/18/83/1384701883.db2.gz XYIHDJKUDDLNIG-LJQANCHMSA-N 2 2 326.488 3.295 20 0 EGADLP Cn1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978320 1384701886 /nfs/dbraw/zinc/70/18/86/1384701886.db2.gz XYIHDJKUDDLNIG-LJQANCHMSA-N 2 2 326.488 3.295 20 0 EGADLP Cn1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978320 1384701888 /nfs/dbraw/zinc/70/18/88/1384701888.db2.gz XYIHDJKUDDLNIG-LJQANCHMSA-N 2 2 326.488 3.295 20 0 EGADLP Cn1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171978320 1384701891 /nfs/dbraw/zinc/70/18/91/1384701891.db2.gz XYIHDJKUDDLNIG-LJQANCHMSA-N 2 2 326.488 3.295 20 0 EGADLP CCOC(=O)C1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172074329 1384720088 /nfs/dbraw/zinc/72/00/88/1384720088.db2.gz HCCGNIOGZBOSCX-PMOLBWCYSA-N 2 2 342.483 3.067 20 0 EGADLP CCOC(=O)C1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074329 1384720095 /nfs/dbraw/zinc/72/00/95/1384720095.db2.gz HCCGNIOGZBOSCX-PMOLBWCYSA-N 2 2 342.483 3.067 20 0 EGADLP Fc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@@H]1CSc2ccccc2C1 ZINC001172209194 1384749500 /nfs/dbraw/zinc/74/95/00/1384749500.db2.gz ZUXNTZLSLIXKJX-INIZCTEOSA-N 2 2 343.471 3.496 20 0 EGADLP C[NH+](C)C[C@@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC001172236180 1384753534 /nfs/dbraw/zinc/75/35/34/1384753534.db2.gz HLCVENGFGNXCFD-WDEJKIRISA-N 2 2 330.516 3.209 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001172350613 1384775356 /nfs/dbraw/zinc/77/53/56/1384775356.db2.gz NQYIQECSOCGESA-FMWKFLBASA-N 2 2 348.531 3.459 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001172350613 1384775358 /nfs/dbraw/zinc/77/53/58/1384775358.db2.gz NQYIQECSOCGESA-FMWKFLBASA-N 2 2 348.531 3.459 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CCOCC(C)C ZINC001172467857 1384799068 /nfs/dbraw/zinc/79/90/68/1384799068.db2.gz MRZIIMKDLDHXMX-SESVDKBCSA-N 2 2 348.531 3.317 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CCOCC(C)C ZINC001172467857 1384799069 /nfs/dbraw/zinc/79/90/69/1384799069.db2.gz MRZIIMKDLDHXMX-SESVDKBCSA-N 2 2 348.531 3.317 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172599173 1384816417 /nfs/dbraw/zinc/81/64/17/1384816417.db2.gz ADXAPEVCIDNRPP-ZCNNSNEGSA-N 2 2 344.499 3.015 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835763 1384861694 /nfs/dbraw/zinc/86/16/94/1384861694.db2.gz XRXOKIWNIGFZCG-QNWVGRARSA-N 2 2 347.506 3.311 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)c1 ZINC001172839277 1384862895 /nfs/dbraw/zinc/86/28/95/1384862895.db2.gz OTDGDVMMBCOXFE-LJQANCHMSA-N 2 2 337.467 3.078 20 0 EGADLP COC(=O)CCCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001173441448 1384970489 /nfs/dbraw/zinc/97/04/89/1384970489.db2.gz QKKHAOMMWHYAFI-QUCCMNQESA-N 2 2 346.515 3.405 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001173641163 1384994241 /nfs/dbraw/zinc/99/42/41/1384994241.db2.gz OGPVLVCHKOLYTG-HOTGVXAUSA-N 2 2 332.444 3.047 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661774 1384998433 /nfs/dbraw/zinc/99/84/33/1384998433.db2.gz SRSHUBSRJZMPBS-IEBWSBKVSA-N 2 2 341.455 3.426 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661774 1384998436 /nfs/dbraw/zinc/99/84/36/1384998436.db2.gz SRSHUBSRJZMPBS-IEBWSBKVSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317397391 1385113831 /nfs/dbraw/zinc/11/38/31/1385113831.db2.gz LNBOTXOBJBJEHF-CABCVRRESA-N 2 2 330.476 3.343 20 0 EGADLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccc(C)c1 ZINC001317481410 1385177535 /nfs/dbraw/zinc/17/75/35/1385177535.db2.gz GEFUSMXBFMEMCT-UHFFFAOYSA-N 2 2 336.439 3.123 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cccc(C)c1 ZINC001317481410 1385177536 /nfs/dbraw/zinc/17/75/36/1385177536.db2.gz GEFUSMXBFMEMCT-UHFFFAOYSA-N 2 2 336.439 3.123 20 0 EGADLP CCC[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC001317543145 1385285732 /nfs/dbraw/zinc/28/57/32/1385285732.db2.gz PZYKJMPGRGBVKK-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC1CCC1 ZINC001317543145 1385285734 /nfs/dbraw/zinc/28/57/34/1385285734.db2.gz PZYKJMPGRGBVKK-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001317555325 1385322520 /nfs/dbraw/zinc/32/25/20/1385322520.db2.gz NQCIABVGWNMPDO-INIZCTEOSA-N 2 2 348.450 3.290 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001317555325 1385322526 /nfs/dbraw/zinc/32/25/26/1385322526.db2.gz NQCIABVGWNMPDO-INIZCTEOSA-N 2 2 348.450 3.290 20 0 EGADLP Cc1ccc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c(C)[nH+]1 ZINC001175819083 1385413066 /nfs/dbraw/zinc/41/30/66/1385413066.db2.gz IXJGGNNNOVTRMA-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(C)c1 ZINC001175881597 1385429080 /nfs/dbraw/zinc/42/90/80/1385429080.db2.gz RJOKWIOSNGQJCG-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176350359 1385558662 /nfs/dbraw/zinc/55/86/62/1385558662.db2.gz BZXXYOUACLETLH-HNNXBMFYSA-N 2 2 336.524 3.352 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)CC(C)C ZINC001176350539 1385558687 /nfs/dbraw/zinc/55/86/87/1385558687.db2.gz GKMDFYBZBTZUBI-HZPDHXFCSA-N 2 2 336.524 3.207 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCCC1 ZINC001176350780 1385559628 /nfs/dbraw/zinc/55/96/28/1385559628.db2.gz KCNKAHQRXBHHCB-MRXNPFEDSA-N 2 2 348.535 3.496 20 0 EGADLP Cc1cn2cccc(Nc3ccc(OCCC[NH+](C)C)nc3)c2[nH+]1 ZINC001176354290 1385561753 /nfs/dbraw/zinc/56/17/53/1385561753.db2.gz LYVSUHCVNRUMBG-UHFFFAOYSA-N 2 2 325.416 3.112 20 0 EGADLP c1nn(CC[NH+]2CCCC2)cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001176554529 1385622397 /nfs/dbraw/zinc/62/23/97/1385622397.db2.gz SSJSFAIAEUUWRQ-UHFFFAOYSA-N 2 2 340.475 3.108 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001176769758 1385690855 /nfs/dbraw/zinc/69/08/55/1385690855.db2.gz UTOZTNAJLVCXRG-MJGOQNOKSA-N 2 2 348.535 3.139 20 0 EGADLP C[C@H](CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1)n1cc[nH+]c1 ZINC001318655826 1385820126 /nfs/dbraw/zinc/82/01/26/1385820126.db2.gz LZXYBGQTCQLXEW-QGZVFWFLSA-N 2 2 340.471 3.053 20 0 EGADLP CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466969 1385967233 /nfs/dbraw/zinc/96/72/33/1385967233.db2.gz NOPMKLRRCLVKFG-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492894 1385978029 /nfs/dbraw/zinc/97/80/29/1385978029.db2.gz OSRBDFOUKYDPEQ-ARJAWSKDSA-N 2 2 346.519 3.238 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001178345367 1386193795 /nfs/dbraw/zinc/19/37/95/1386193795.db2.gz GVLMJTXOUNUCSM-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1=CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178744376 1386293448 /nfs/dbraw/zinc/29/34/48/1386293448.db2.gz YCTXXBCCMCBRSG-QZTJIDSGSA-N 2 2 344.503 3.280 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1=CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178744376 1386293452 /nfs/dbraw/zinc/29/34/52/1386293452.db2.gz YCTXXBCCMCBRSG-QZTJIDSGSA-N 2 2 344.503 3.280 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752391 1386294127 /nfs/dbraw/zinc/29/41/27/1386294127.db2.gz PEWKLTOAPQIHKP-RCCFBDPRSA-N 2 2 348.535 3.462 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752391 1386294130 /nfs/dbraw/zinc/29/41/30/1386294130.db2.gz PEWKLTOAPQIHKP-RCCFBDPRSA-N 2 2 348.535 3.462 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630231 1386535635 /nfs/dbraw/zinc/53/56/35/1386535635.db2.gz MEXUXVUSEVDPNX-QZTJIDSGSA-N 2 2 348.535 3.370 20 0 EGADLP CC[C@@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001179689703 1386554300 /nfs/dbraw/zinc/55/43/00/1386554300.db2.gz JWHAZXSIJXNZEX-LJQANCHMSA-N 2 2 342.487 3.370 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705472 1386560541 /nfs/dbraw/zinc/56/05/41/1386560541.db2.gz FSKXDSIAJOLKMS-XDXAGZTOSA-N 2 2 334.508 3.457 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776852 1386581904 /nfs/dbraw/zinc/58/19/04/1386581904.db2.gz KNHNCIYVANCGSV-MRXNPFEDSA-N 2 2 348.535 3.291 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179776852 1386581906 /nfs/dbraw/zinc/58/19/06/1386581906.db2.gz KNHNCIYVANCGSV-MRXNPFEDSA-N 2 2 348.535 3.291 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1F ZINC001179906773 1386623991 /nfs/dbraw/zinc/62/39/91/1386623991.db2.gz KXXFZDBCARKWHY-HNNXBMFYSA-N 2 2 346.450 3.119 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001179972977 1386654185 /nfs/dbraw/zinc/65/41/85/1386654185.db2.gz IDVNFOVYPQRYPG-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP CCC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180057661 1386681999 /nfs/dbraw/zinc/68/19/99/1386681999.db2.gz HGXGNIHUVCXZCJ-LJQANCHMSA-N 2 2 346.515 3.410 20 0 EGADLP CCC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180057661 1386682005 /nfs/dbraw/zinc/68/20/05/1386682005.db2.gz HGXGNIHUVCXZCJ-LJQANCHMSA-N 2 2 346.515 3.410 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001180159068 1386716916 /nfs/dbraw/zinc/71/69/16/1386716916.db2.gz XKTWTDUJRQCRIZ-UHFFFAOYSA-N 2 2 348.535 3.497 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC001321400066 1386894675 /nfs/dbraw/zinc/89/46/75/1386894675.db2.gz PSDSOEHAMBDJFB-INIZCTEOSA-N 2 2 346.390 3.275 20 0 EGADLP CCOC(=O)C1(C)CC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC001181913160 1387075872 /nfs/dbraw/zinc/07/58/72/1387075872.db2.gz MIRKZBFVWBXPHM-UHFFFAOYSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C1(C)CC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC001181913160 1387075875 /nfs/dbraw/zinc/07/58/75/1387075875.db2.gz MIRKZBFVWBXPHM-UHFFFAOYSA-N 2 2 344.499 3.363 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001182316777 1387147550 /nfs/dbraw/zinc/14/75/50/1387147550.db2.gz OKLHGYWYRFAJGO-GOSISDBHSA-N 2 2 349.478 3.151 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001182316777 1387147556 /nfs/dbraw/zinc/14/75/56/1387147556.db2.gz OKLHGYWYRFAJGO-GOSISDBHSA-N 2 2 349.478 3.151 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC001330883058 1389553722 /nfs/dbraw/zinc/55/37/22/1389553722.db2.gz NBMMOJCHXOXGRA-AEFFLSMTSA-N 2 2 346.519 3.073 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc(OC)c1 ZINC001341568514 1390503542 /nfs/dbraw/zinc/50/35/42/1390503542.db2.gz ZAGQQNSTFZIILA-KRWDZBQOSA-N 2 2 341.455 3.484 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c(OC)c1 ZINC001341567793 1390503571 /nfs/dbraw/zinc/50/35/71/1390503571.db2.gz LHOFJGJZTYZCLZ-KRWDZBQOSA-N 2 2 341.455 3.484 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(C)c1 ZINC001350337290 1391449645 /nfs/dbraw/zinc/44/96/45/1391449645.db2.gz AIBJQVHNIXSWKT-UHFFFAOYSA-N 2 2 332.488 3.127 20 0 EGADLP COc1cccc2c(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)cc[nH+]c12 ZINC001352099160 1391758981 /nfs/dbraw/zinc/75/89/81/1391758981.db2.gz LKWGACQGPHCBSW-ARFHVFGLSA-N 2 2 325.456 3.410 20 0 EGADLP C[N@H+](Cc1ccccc1NC(=O)C[C@@H]([NH3+])C(F)F)C1CCCCC1 ZINC001353447454 1392013699 /nfs/dbraw/zinc/01/36/99/1392013699.db2.gz FWDZHGFYOLMXLR-OAHLLOKOSA-N 2 2 339.430 3.372 20 0 EGADLP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]([NH3+])C(F)F)C1CCCCC1 ZINC001353447454 1392013704 /nfs/dbraw/zinc/01/37/04/1392013704.db2.gz FWDZHGFYOLMXLR-OAHLLOKOSA-N 2 2 339.430 3.372 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001354097996 1392120252 /nfs/dbraw/zinc/12/02/52/1392120252.db2.gz VQVFPMSGDLQREB-SFHVURJKSA-N 2 2 346.434 3.333 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001354097996 1392120253 /nfs/dbraw/zinc/12/02/53/1392120253.db2.gz VQVFPMSGDLQREB-SFHVURJKSA-N 2 2 346.434 3.333 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001479371713 1392227886 /nfs/dbraw/zinc/22/78/86/1392227886.db2.gz VZPIOHUODPOOMS-SFNKJDCFSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001479371713 1392227889 /nfs/dbraw/zinc/22/78/89/1392227889.db2.gz VZPIOHUODPOOMS-SFNKJDCFSA-N 2 2 346.519 3.043 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001490421620 1394222869 /nfs/dbraw/zinc/22/28/69/1394222869.db2.gz JWJOTYHJGVMZCD-UHFFFAOYSA-N 2 2 334.508 3.010 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001490765960 1394327661 /nfs/dbraw/zinc/32/76/61/1394327661.db2.gz VYNOXSJOCLFAAA-KRWDZBQOSA-N 2 2 340.471 3.066 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001490765960 1394327669 /nfs/dbraw/zinc/32/76/69/1394327669.db2.gz VYNOXSJOCLFAAA-KRWDZBQOSA-N 2 2 340.471 3.066 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481754319 1394498286 /nfs/dbraw/zinc/49/82/86/1394498286.db2.gz MLQXYKUQMOXIMR-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001481754319 1394498289 /nfs/dbraw/zinc/49/82/89/1394498289.db2.gz MLQXYKUQMOXIMR-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCC1CCCCCC1 ZINC001481868259 1394568344 /nfs/dbraw/zinc/56/83/44/1394568344.db2.gz FXJWZMWHSDBZKG-KRWDZBQOSA-N 2 2 334.508 3.106 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001482154049 1394773673 /nfs/dbraw/zinc/77/36/73/1394773673.db2.gz HHSWSMCHJHUQMY-JKSUJKDBSA-N 2 2 342.487 3.179 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482468495 1395023501 /nfs/dbraw/zinc/02/35/01/1395023501.db2.gz BCRUONZHAMMVAJ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482468495 1395023510 /nfs/dbraw/zinc/02/35/10/1395023510.db2.gz BCRUONZHAMMVAJ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CCC1CCCCCC1)C(C)C ZINC001698978991 1406752645 /nfs/dbraw/zinc/75/26/45/1406752645.db2.gz FGNHDYHSQIJOFQ-IBGZPJMESA-N 2 2 348.535 3.352 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001484761277 1395513298 /nfs/dbraw/zinc/51/32/98/1395513298.db2.gz CRNXFDKWEKUIER-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001484761277 1395513300 /nfs/dbraw/zinc/51/33/00/1395513300.db2.gz CRNXFDKWEKUIER-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001687428607 1396370241 /nfs/dbraw/zinc/37/02/41/1396370241.db2.gz HTGWVNZHDXWBKT-GOSISDBHSA-N 2 2 343.515 3.156 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001496349500 1396660385 /nfs/dbraw/zinc/66/03/85/1396660385.db2.gz CRXFRQPVHZNXQG-RHSMWYFYSA-N 2 2 342.487 3.439 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC001497489919 1396766116 /nfs/dbraw/zinc/76/61/16/1396766116.db2.gz DPSHBGVHBOLKSM-ZDUSSCGKSA-N 2 2 348.878 3.113 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001498350792 1396971950 /nfs/dbraw/zinc/97/19/50/1396971950.db2.gz TUDAZGGZOKNVPU-KRWDZBQOSA-N 2 2 342.487 3.033 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001498350792 1396971954 /nfs/dbraw/zinc/97/19/54/1396971954.db2.gz TUDAZGGZOKNVPU-KRWDZBQOSA-N 2 2 342.487 3.033 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001498443220 1396996793 /nfs/dbraw/zinc/99/67/93/1396996793.db2.gz JWBYNJVFYSURMX-JSGCOSHPSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001498443220 1396996797 /nfs/dbraw/zinc/99/67/97/1396996797.db2.gz JWBYNJVFYSURMX-JSGCOSHPSA-N 2 2 348.878 3.112 20 0 EGADLP CCc1cccc(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001499263989 1397071690 /nfs/dbraw/zinc/07/16/90/1397071690.db2.gz QGVOHBUTWRTTDH-UHFFFAOYSA-N 2 2 348.450 3.178 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193206 1404399008 /nfs/dbraw/zinc/39/90/08/1404399008.db2.gz XEDKYNGCRUUPCU-OALUTQOASA-N 2 2 348.535 3.126 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193206 1404399014 /nfs/dbraw/zinc/39/90/14/1404399014.db2.gz XEDKYNGCRUUPCU-OALUTQOASA-N 2 2 348.535 3.126 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001690590618 1404642905 /nfs/dbraw/zinc/64/29/05/1404642905.db2.gz CJESSOJXDVWRAI-CABCVRRESA-N 2 2 336.439 3.340 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001690590621 1404642909 /nfs/dbraw/zinc/64/29/09/1404642909.db2.gz CJESSOJXDVWRAI-LSDHHAIUSA-N 2 2 336.439 3.340 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001690846992 1404774852 /nfs/dbraw/zinc/77/48/52/1404774852.db2.gz XLHGAJYFVKEMJF-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001690846992 1404774854 /nfs/dbraw/zinc/77/48/54/1404774854.db2.gz XLHGAJYFVKEMJF-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1Cl)n1cc[nH+]c1 ZINC001691495612 1405303176 /nfs/dbraw/zinc/30/31/76/1405303176.db2.gz PYUVBRDHSNVLDT-GJZGRUSLSA-N 2 2 348.878 3.297 20 0 EGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CCC(F)(F)F ZINC001732213074 1428461018 /nfs/dbraw/zinc/46/10/18/1428461018.db2.gz XUDWOWRHTPAJIK-CYBMUJFWSA-N 2 2 331.382 3.057 20 0 EGADLP O=C(NCC1([NH2+]Cc2ccccc2)CCCC1)c1cccc2[nH+]ccn21 ZINC001732393077 1428561725 /nfs/dbraw/zinc/56/17/25/1428561725.db2.gz AYIIWMYFUJJNSC-UHFFFAOYSA-N 2 2 348.450 3.167 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465465 1412830930 /nfs/dbraw/zinc/83/09/30/1412830930.db2.gz ZFXGLSGNXUBHNB-HOTGVXAUSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465465 1412830939 /nfs/dbraw/zinc/83/09/39/1412830939.db2.gz ZFXGLSGNXUBHNB-HOTGVXAUSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001699769821 1413175459 /nfs/dbraw/zinc/17/54/59/1413175459.db2.gz KHPSYDHBZBCFPA-QGZVFWFLSA-N 2 2 348.535 3.006 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001700355572 1413855408 /nfs/dbraw/zinc/85/54/08/1413855408.db2.gz KCELBZPFPANALO-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001700355572 1413855418 /nfs/dbraw/zinc/85/54/18/1413855418.db2.gz KCELBZPFPANALO-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001700462823 1414063929 /nfs/dbraw/zinc/06/39/29/1414063929.db2.gz FUEBTFDBOOYGHZ-CVEARBPZSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001700462823 1414063936 /nfs/dbraw/zinc/06/39/36/1414063936.db2.gz FUEBTFDBOOYGHZ-CVEARBPZSA-N 2 2 344.503 3.375 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC001700528922 1414194058 /nfs/dbraw/zinc/19/40/58/1414194058.db2.gz MVZXBMBIAVOJCR-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC001700528922 1414194061 /nfs/dbraw/zinc/19/40/61/1414194061.db2.gz MVZXBMBIAVOJCR-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732628884 1428891688 /nfs/dbraw/zinc/89/16/88/1428891688.db2.gz KWQGRSDTAYEQLU-IEBWSBKVSA-N 2 2 340.471 3.016 20 0 EGADLP CC[C@H](C)C[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001714665903 1419453776 /nfs/dbraw/zinc/45/37/76/1419453776.db2.gz FNRKWWJOWFHECC-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001714665903 1419453778 /nfs/dbraw/zinc/45/37/78/1419453778.db2.gz FNRKWWJOWFHECC-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001714695355 1419475109 /nfs/dbraw/zinc/47/51/09/1419475109.db2.gz QSIJNXSSOYWHNC-HOTGVXAUSA-N 2 2 330.476 3.067 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001715343869 1420046328 /nfs/dbraw/zinc/04/63/28/1420046328.db2.gz ZFXJQHSDRHOVDR-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001715343869 1420046332 /nfs/dbraw/zinc/04/63/32/1420046332.db2.gz ZFXJQHSDRHOVDR-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715532151 1420223189 /nfs/dbraw/zinc/22/31/89/1420223189.db2.gz HHBUOBAASDBHDQ-HKUYNNGSSA-N 2 2 342.487 3.376 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715532151 1420223193 /nfs/dbraw/zinc/22/31/93/1420223193.db2.gz HHBUOBAASDBHDQ-HKUYNNGSSA-N 2 2 342.487 3.376 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+][C@H](C)c3ccccc3)ccn12 ZINC001715929028 1420402572 /nfs/dbraw/zinc/40/25/72/1420402572.db2.gz BUONVKGKEXPLLZ-GDBMZVCRSA-N 2 2 336.439 3.112 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715935288 1420406715 /nfs/dbraw/zinc/40/67/15/1420406715.db2.gz KCBFJZBESFERGE-OLZOCXBDSA-N 2 2 340.402 3.171 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001715941838 1420411667 /nfs/dbraw/zinc/41/16/67/1420411667.db2.gz NZFODAQTYNWAPW-QGZVFWFLSA-N 2 2 348.450 3.089 20 0 EGADLP C[C@@H]([NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001716616265 1420779917 /nfs/dbraw/zinc/77/99/17/1420779917.db2.gz KHLBZKGBOGFBLN-QAPCUYQASA-N 2 2 348.450 3.194 20 0 EGADLP CCC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CCCCCC1 ZINC001716713518 1420867242 /nfs/dbraw/zinc/86/72/42/1420867242.db2.gz LRUXTGCDKPZYSH-UHFFFAOYSA-N 2 2 342.487 3.499 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CCCCCC1 ZINC001716713518 1420867245 /nfs/dbraw/zinc/86/72/45/1420867245.db2.gz LRUXTGCDKPZYSH-UHFFFAOYSA-N 2 2 342.487 3.499 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716974788 1421058635 /nfs/dbraw/zinc/05/86/35/1421058635.db2.gz FLLAVXOCULIRTL-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CCC(CC)C[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717703725 1421577871 /nfs/dbraw/zinc/57/78/71/1421577871.db2.gz MEPUCWFNNUTKLZ-MRXNPFEDSA-N 2 2 334.508 3.193 20 0 EGADLP CCC(CC)C[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001717703725 1421577872 /nfs/dbraw/zinc/57/78/72/1421577872.db2.gz MEPUCWFNNUTKLZ-MRXNPFEDSA-N 2 2 334.508 3.193 20 0 EGADLP CC[C@@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1)c1ccccc1 ZINC001717992401 1421761676 /nfs/dbraw/zinc/76/16/76/1421761676.db2.gz DHANINPEPYOZEH-CTWPCTMYSA-N 2 2 340.471 3.073 20 0 EGADLP CC[C@@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001717992401 1421761679 /nfs/dbraw/zinc/76/16/79/1421761679.db2.gz DHANINPEPYOZEH-CTWPCTMYSA-N 2 2 340.471 3.073 20 0 EGADLP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001724748213 1425117549 /nfs/dbraw/zinc/11/75/49/1425117549.db2.gz UCXQJPATCOGZFQ-MRXNPFEDSA-N 2 2 328.460 3.039 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H]([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001724933041 1425318621 /nfs/dbraw/zinc/31/86/21/1425318621.db2.gz GKJADJWNEKYJQR-SMDDNHRTSA-N 2 2 343.393 3.009 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001725254848 1425878409 /nfs/dbraw/zinc/87/84/09/1425878409.db2.gz JBVUXRBLPJAACS-JKSUJKDBSA-N 2 2 342.487 3.067 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001725754479 1426433665 /nfs/dbraw/zinc/43/36/65/1426433665.db2.gz GSHOCRIABNFJDP-SFHVURJKSA-N 2 2 348.535 3.054 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC001731792148 1427935831 /nfs/dbraw/zinc/93/58/31/1427935831.db2.gz WZACNNUGPDVRRM-MRXNPFEDSA-N 2 2 342.487 3.193 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC001731792148 1427935837 /nfs/dbraw/zinc/93/58/37/1427935837.db2.gz WZACNNUGPDVRRM-MRXNPFEDSA-N 2 2 342.487 3.193 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734566654 1438162139 /nfs/dbraw/zinc/16/21/39/1438162139.db2.gz CNENZIKFKQAUEU-GOSISDBHSA-N 2 2 340.471 3.016 20 0 EGADLP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752525799 1440192898 /nfs/dbraw/zinc/19/28/98/1440192898.db2.gz CFZFPIYZYJMZNQ-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752525799 1440192899 /nfs/dbraw/zinc/19/28/99/1440192899.db2.gz CFZFPIYZYJMZNQ-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP CC[C@H](C)C[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001752850268 1440233458 /nfs/dbraw/zinc/23/34/58/1440233458.db2.gz AGJRJNATMFUIJB-JEYLPNPQSA-N 2 2 328.460 3.240 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001752938912 1440250650 /nfs/dbraw/zinc/25/06/50/1440250650.db2.gz MPLCUFQOILLTKE-QGZVFWFLSA-N 2 2 342.487 3.275 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001753036864 1440274818 /nfs/dbraw/zinc/27/48/18/1440274818.db2.gz ANIDTEUZUUXDGI-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001753036864 1440274819 /nfs/dbraw/zinc/27/48/19/1440274819.db2.gz ANIDTEUZUUXDGI-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1cccc(C[N@H+](C)CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001753057744 1440282084 /nfs/dbraw/zinc/28/20/84/1440282084.db2.gz DDPBAUKJIFPJQS-UHFFFAOYSA-N 2 2 348.450 3.043 20 0 EGADLP Cc1cccc(C[N@@H+](C)CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001753057744 1440282085 /nfs/dbraw/zinc/28/20/85/1440282085.db2.gz DDPBAUKJIFPJQS-UHFFFAOYSA-N 2 2 348.450 3.043 20 0 EGADLP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753365788 1440384924 /nfs/dbraw/zinc/38/49/24/1440384924.db2.gz RTSTUKOOZXBZEM-HNNXBMFYSA-N 2 2 342.487 3.393 20 0 EGADLP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753365788 1440384925 /nfs/dbraw/zinc/38/49/25/1440384925.db2.gz RTSTUKOOZXBZEM-HNNXBMFYSA-N 2 2 342.487 3.393 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753458098 1440409299 /nfs/dbraw/zinc/40/92/99/1440409299.db2.gz CFCCNUZAUFMMDC-IRXDYDNUSA-N 2 2 334.508 3.193 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753458098 1440409300 /nfs/dbraw/zinc/40/93/00/1440409300.db2.gz CFCCNUZAUFMMDC-IRXDYDNUSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001753669355 1440461367 /nfs/dbraw/zinc/46/13/67/1440461367.db2.gz OSRCJSIMQGHXAS-OAHLLOKOSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001753669355 1440461368 /nfs/dbraw/zinc/46/13/68/1440461368.db2.gz OSRCJSIMQGHXAS-OAHLLOKOSA-N 2 2 334.508 3.043 20 0 EGADLP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753715159 1440471650 /nfs/dbraw/zinc/47/16/50/1440471650.db2.gz RHYABUSYCPRTOB-IRXDYDNUSA-N 2 2 342.487 3.033 20 0 EGADLP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753715158 1440471712 /nfs/dbraw/zinc/47/17/12/1440471712.db2.gz RHYABUSYCPRTOB-IAGOWNOFSA-N 2 2 342.487 3.033 20 0 EGADLP CC1CCC(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753784177 1440487848 /nfs/dbraw/zinc/48/78/48/1440487848.db2.gz FZGAXIQSKMRXJF-TVPLGVNVSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001753787824 1440488459 /nfs/dbraw/zinc/48/84/59/1440488459.db2.gz IWZWTNLTSNBMNN-QGZVFWFLSA-N 2 2 348.535 3.448 20 0 EGADLP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753802423 1440491280 /nfs/dbraw/zinc/49/12/80/1440491280.db2.gz ZUVZDMKZCVSIJA-LLHDCHNASA-N 2 2 346.519 3.224 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001753864434 1440513353 /nfs/dbraw/zinc/51/33/53/1440513353.db2.gz KRTPMVJHRIECQL-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001753864434 1440513354 /nfs/dbraw/zinc/51/33/54/1440513354.db2.gz KRTPMVJHRIECQL-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001754526136 1440621064 /nfs/dbraw/zinc/62/10/64/1440621064.db2.gz GVZXVPHKJPIEBF-HNNXBMFYSA-N 2 2 340.471 3.075 20 0 EGADLP CC[C@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754700255 1440667873 /nfs/dbraw/zinc/66/78/73/1440667873.db2.gz CRKRFOFWEIZQQL-QFBILLFUSA-N 2 2 335.467 3.197 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC(C)(C)C)C2 ZINC001754783017 1440686824 /nfs/dbraw/zinc/68/68/24/1440686824.db2.gz JSYQBOSQPTZGBL-ULQDDVLXSA-N 2 2 346.519 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC(C)(C)C)C2 ZINC001754783017 1440686825 /nfs/dbraw/zinc/68/68/25/1440686825.db2.gz JSYQBOSQPTZGBL-ULQDDVLXSA-N 2 2 346.519 3.056 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001755047698 1440742093 /nfs/dbraw/zinc/74/20/93/1440742093.db2.gz PCXOMGYMQQKUHN-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001755047698 1440742094 /nfs/dbraw/zinc/74/20/94/1440742094.db2.gz PCXOMGYMQQKUHN-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363490 1440833116 /nfs/dbraw/zinc/83/31/16/1440833116.db2.gz JPKSNUMARVKDDB-HKUYNNGSSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363490 1440833117 /nfs/dbraw/zinc/83/31/17/1440833117.db2.gz JPKSNUMARVKDDB-HKUYNNGSSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363490 1440833118 /nfs/dbraw/zinc/83/31/18/1440833118.db2.gz JPKSNUMARVKDDB-HKUYNNGSSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363490 1440833119 /nfs/dbraw/zinc/83/31/19/1440833119.db2.gz JPKSNUMARVKDDB-HKUYNNGSSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755680416 1440895104 /nfs/dbraw/zinc/89/51/04/1440895104.db2.gz GGHZWEVIGPLJEM-GOEBONIOSA-N 2 2 328.460 3.192 20 0 EGADLP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001755711436 1440903745 /nfs/dbraw/zinc/90/37/45/1440903745.db2.gz GOLLVJWAESGQTP-GBESFXJTSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001755844594 1440932780 /nfs/dbraw/zinc/93/27/80/1440932780.db2.gz BUVDJNLTSIWLIM-JKSUJKDBSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001755844594 1440932781 /nfs/dbraw/zinc/93/27/81/1440932781.db2.gz BUVDJNLTSIWLIM-JKSUJKDBSA-N 2 2 348.535 3.241 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+](CCC2CCCCCC2)CC1 ZINC001755897096 1440943092 /nfs/dbraw/zinc/94/30/92/1440943092.db2.gz NBDAQTAHOUMTOI-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+](CCC2CCCCCC2)CC1 ZINC001755897096 1440943093 /nfs/dbraw/zinc/94/30/93/1440943093.db2.gz NBDAQTAHOUMTOI-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP Cc1cccc2c(C)cc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)[nH+]c12 ZINC001164728523 720507376 /nfs/dbraw/zinc/50/73/76/720507376.db2.gz GFHGZKDTWGZIFT-QGZVFWFLSA-N 2 2 349.482 3.246 20 0 EGADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000053203963 214170275 /nfs/dbraw/zinc/17/02/75/214170275.db2.gz CHCXCJKAVMEXGE-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000053203963 214170277 /nfs/dbraw/zinc/17/02/77/214170277.db2.gz CHCXCJKAVMEXGE-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000368569378 168374950 /nfs/dbraw/zinc/37/49/50/168374950.db2.gz VTGALKZCYQDWJT-MJGOQNOKSA-N 2 2 329.488 3.093 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000368578094 168376885 /nfs/dbraw/zinc/37/68/85/168376885.db2.gz ZJPRFTYFZCRQOL-IEBWSBKVSA-N 2 2 333.520 3.334 20 0 EGADLP COCC(C)(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000368578094 168376887 /nfs/dbraw/zinc/37/68/87/168376887.db2.gz ZJPRFTYFZCRQOL-IEBWSBKVSA-N 2 2 333.520 3.334 20 0 EGADLP COc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000174397076 231198216 /nfs/dbraw/zinc/19/82/16/231198216.db2.gz DSKWQGKGCCTJKY-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000174397076 231198221 /nfs/dbraw/zinc/19/82/21/231198221.db2.gz DSKWQGKGCCTJKY-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000174397076 231198225 /nfs/dbraw/zinc/19/82/25/231198225.db2.gz DSKWQGKGCCTJKY-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000174397076 231198227 /nfs/dbraw/zinc/19/82/27/231198227.db2.gz DSKWQGKGCCTJKY-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1nccn1C ZINC000182485654 529681987 /nfs/dbraw/zinc/68/19/87/529681987.db2.gz XNHCANOOTWRZFH-LJQANCHMSA-N 2 2 326.488 3.434 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281787 530064874 /nfs/dbraw/zinc/06/48/74/530064874.db2.gz AXPSSWLTARSOQC-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281787 530064875 /nfs/dbraw/zinc/06/48/75/530064875.db2.gz AXPSSWLTARSOQC-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281787 530064876 /nfs/dbraw/zinc/06/48/76/530064876.db2.gz AXPSSWLTARSOQC-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281787 530064877 /nfs/dbraw/zinc/06/48/77/530064877.db2.gz AXPSSWLTARSOQC-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802105 215335542 /nfs/dbraw/zinc/33/55/42/215335542.db2.gz XGXHBPOVTYAWQP-CJNGLKHVSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802105 215335545 /nfs/dbraw/zinc/33/55/45/215335545.db2.gz XGXHBPOVTYAWQP-CJNGLKHVSA-N 2 2 330.303 3.280 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000130864733 223183259 /nfs/dbraw/zinc/18/32/59/223183259.db2.gz YXILNIXRAFTQIW-UHFFFAOYSA-N 2 2 347.369 3.042 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000130864733 223183261 /nfs/dbraw/zinc/18/32/61/223183261.db2.gz YXILNIXRAFTQIW-UHFFFAOYSA-N 2 2 347.369 3.042 20 0 EGADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000072726084 216300272 /nfs/dbraw/zinc/30/02/72/216300272.db2.gz YHJMDZKIJPJJJE-IBGZPJMESA-N 2 2 327.472 3.137 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000072726084 216300274 /nfs/dbraw/zinc/30/02/74/216300274.db2.gz YHJMDZKIJPJJJE-IBGZPJMESA-N 2 2 327.472 3.137 20 0 EGADLP CCc1ccc2c(C[NH+]3CC[C@H](C[N@@H+](C)CC)C3)cc(=O)oc2c1 ZINC000072858617 216319389 /nfs/dbraw/zinc/31/93/89/216319389.db2.gz LLHZWWZZLHGKOJ-MRXNPFEDSA-N 2 2 328.456 3.129 20 0 EGADLP CCc1ccc2c(C[NH+]3CC[C@H](C[N@H+](C)CC)C3)cc(=O)oc2c1 ZINC000072858617 216319393 /nfs/dbraw/zinc/31/93/93/216319393.db2.gz LLHZWWZZLHGKOJ-MRXNPFEDSA-N 2 2 328.456 3.129 20 0 EGADLP CCc1ccc2c(C[N@H+]3CC[C@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000072858617 216319395 /nfs/dbraw/zinc/31/93/95/216319395.db2.gz LLHZWWZZLHGKOJ-MRXNPFEDSA-N 2 2 328.456 3.129 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CC[C@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000072858617 216319397 /nfs/dbraw/zinc/31/93/97/216319397.db2.gz LLHZWWZZLHGKOJ-MRXNPFEDSA-N 2 2 328.456 3.129 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000132020094 223292880 /nfs/dbraw/zinc/29/28/80/223292880.db2.gz YMJUOPULGMTDQJ-GOEBONIOSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000132020094 223292881 /nfs/dbraw/zinc/29/28/81/223292881.db2.gz YMJUOPULGMTDQJ-GOEBONIOSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039106 213195894 /nfs/dbraw/zinc/19/58/94/213195894.db2.gz UPVNMARUIFSCGE-HFAKWTLXSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039106 213195896 /nfs/dbraw/zinc/19/58/96/213195896.db2.gz UPVNMARUIFSCGE-HFAKWTLXSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC000159016744 299345064 /nfs/dbraw/zinc/34/50/64/299345064.db2.gz DHODXDNPMDABHS-HOTGVXAUSA-N 2 2 342.462 3.384 20 0 EGADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nccs1 ZINC000093405390 299345325 /nfs/dbraw/zinc/34/53/25/299345325.db2.gz WCKVKYUVOACNNI-KBPBESRZSA-N 2 2 348.491 3.446 20 0 EGADLP CCO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000193429596 240160563 /nfs/dbraw/zinc/16/05/63/240160563.db2.gz MLAMVDNSOFIFRF-NRFANRHFSA-N 2 2 339.483 3.413 20 0 EGADLP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000262579296 245043515 /nfs/dbraw/zinc/04/35/15/245043515.db2.gz MZMSRGGHUFCZDZ-ZDUSSCGKSA-N 2 2 345.830 3.209 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243613 220122884 /nfs/dbraw/zinc/12/28/84/220122884.db2.gz XEZHHQRCMRBULY-UHFFFAOYSA-N 2 2 327.407 3.229 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)NCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000264326699 246355190 /nfs/dbraw/zinc/35/51/90/246355190.db2.gz RLBYKFPLJGWUDM-IBGZPJMESA-N 2 2 336.439 3.034 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261770151 296226486 /nfs/dbraw/zinc/22/64/86/296226486.db2.gz VWGCSILMYCVGCN-GXTWGEPZSA-N 2 2 328.287 3.034 20 0 EGADLP CCC(CC)(CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1 ZINC000264953345 247081397 /nfs/dbraw/zinc/08/13/97/247081397.db2.gz UZUMBCMCLUPQQY-QGZVFWFLSA-N 2 2 342.487 3.299 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633579 169052529 /nfs/dbraw/zinc/05/25/29/169052529.db2.gz VKRLCCUDPBAKNS-SUMDDJOVSA-N 2 2 331.504 3.003 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633579 169052532 /nfs/dbraw/zinc/05/25/32/169052532.db2.gz VKRLCCUDPBAKNS-SUMDDJOVSA-N 2 2 331.504 3.003 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166008 169079465 /nfs/dbraw/zinc/07/94/65/169079465.db2.gz NEHFTTUYXBUHBK-BFHYXJOUSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166008 169079467 /nfs/dbraw/zinc/07/94/67/169079467.db2.gz NEHFTTUYXBUHBK-BFHYXJOUSA-N 2 2 344.377 3.099 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000378617260 169148146 /nfs/dbraw/zinc/14/81/46/169148146.db2.gz MUQJCTGIIZAVDK-RHSMWYFYSA-N 2 2 326.444 3.378 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000092043756 218108776 /nfs/dbraw/zinc/10/87/76/218108776.db2.gz KXNVKMDYCWFUAB-RTWAWAEBSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000092043756 218108777 /nfs/dbraw/zinc/10/87/77/218108777.db2.gz KXNVKMDYCWFUAB-RTWAWAEBSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000092043756 218108780 /nfs/dbraw/zinc/10/87/80/218108780.db2.gz KXNVKMDYCWFUAB-RTWAWAEBSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000092043756 218108781 /nfs/dbraw/zinc/10/87/81/218108781.db2.gz KXNVKMDYCWFUAB-RTWAWAEBSA-N 2 2 338.499 3.390 20 0 EGADLP COc1sc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000092253511 218130513 /nfs/dbraw/zinc/13/05/13/218130513.db2.gz QNAADSSLNCEGCJ-LLVKDONJSA-N 2 2 347.322 3.293 20 0 EGADLP COc1sc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000092253511 218130515 /nfs/dbraw/zinc/13/05/15/218130515.db2.gz QNAADSSLNCEGCJ-LLVKDONJSA-N 2 2 347.322 3.293 20 0 EGADLP COc1sc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000092253511 218130517 /nfs/dbraw/zinc/13/05/17/218130517.db2.gz QNAADSSLNCEGCJ-LLVKDONJSA-N 2 2 347.322 3.293 20 0 EGADLP COc1sc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000092253511 218130519 /nfs/dbraw/zinc/13/05/19/218130519.db2.gz QNAADSSLNCEGCJ-LLVKDONJSA-N 2 2 347.322 3.293 20 0 EGADLP Cc1[nH+]cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000093683627 218242523 /nfs/dbraw/zinc/24/25/23/218242523.db2.gz HCPLYRJPBYFTGS-LJQANCHMSA-N 2 2 338.499 3.489 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000093683627 218242524 /nfs/dbraw/zinc/24/25/24/218242524.db2.gz HCPLYRJPBYFTGS-LJQANCHMSA-N 2 2 338.499 3.489 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000093683627 218242526 /nfs/dbraw/zinc/24/25/26/218242526.db2.gz HCPLYRJPBYFTGS-LJQANCHMSA-N 2 2 338.499 3.489 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663801 218239714 /nfs/dbraw/zinc/23/97/14/218239714.db2.gz OZYXWTVQSQJZNA-KRWDZBQOSA-N 2 2 326.440 3.101 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663801 218239716 /nfs/dbraw/zinc/23/97/16/218239716.db2.gz OZYXWTVQSQJZNA-KRWDZBQOSA-N 2 2 326.440 3.101 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770132 218248407 /nfs/dbraw/zinc/24/84/07/218248407.db2.gz RBPOXRJRFNPFIT-CYBMUJFWSA-N 2 2 334.414 3.129 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770132 218248410 /nfs/dbraw/zinc/24/84/10/218248410.db2.gz RBPOXRJRFNPFIT-CYBMUJFWSA-N 2 2 334.414 3.129 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770132 218248412 /nfs/dbraw/zinc/24/84/12/218248412.db2.gz RBPOXRJRFNPFIT-CYBMUJFWSA-N 2 2 334.414 3.129 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770132 218248415 /nfs/dbraw/zinc/24/84/15/218248415.db2.gz RBPOXRJRFNPFIT-CYBMUJFWSA-N 2 2 334.414 3.129 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000093742214 218244613 /nfs/dbraw/zinc/24/46/13/218244613.db2.gz DRLMNKAHYLVBDO-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000093742214 218244617 /nfs/dbraw/zinc/24/46/17/218244617.db2.gz DRLMNKAHYLVBDO-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742214 218244620 /nfs/dbraw/zinc/24/46/20/218244620.db2.gz DRLMNKAHYLVBDO-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742214 218244623 /nfs/dbraw/zinc/24/46/23/218244623.db2.gz DRLMNKAHYLVBDO-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742214 218244626 /nfs/dbraw/zinc/24/46/26/218244626.db2.gz DRLMNKAHYLVBDO-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742214 218244629 /nfs/dbraw/zinc/24/46/29/218244629.db2.gz DRLMNKAHYLVBDO-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427043 251048309 /nfs/dbraw/zinc/04/83/09/251048309.db2.gz LSUUCZACIASCLY-DOMZBBRYSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427043 251048312 /nfs/dbraw/zinc/04/83/12/251048312.db2.gz LSUUCZACIASCLY-DOMZBBRYSA-N 2 2 339.361 3.342 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000268820790 252270714 /nfs/dbraw/zinc/27/07/14/252270714.db2.gz NXOWLEXJWPXKDX-TXPKVOOTSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000268820790 252270717 /nfs/dbraw/zinc/27/07/17/252270717.db2.gz NXOWLEXJWPXKDX-TXPKVOOTSA-N 2 2 326.488 3.432 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830098 252278869 /nfs/dbraw/zinc/27/88/69/252278869.db2.gz KEJDPZMSYHFCGI-JTDSTZFVSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830098 252278872 /nfs/dbraw/zinc/27/88/72/252278872.db2.gz KEJDPZMSYHFCGI-JTDSTZFVSA-N 2 2 338.499 3.179 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158576347 533026330 /nfs/dbraw/zinc/02/63/30/533026330.db2.gz WESYGGOQZNJSMR-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158576347 533026339 /nfs/dbraw/zinc/02/63/39/533026339.db2.gz WESYGGOQZNJSMR-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158576347 533026344 /nfs/dbraw/zinc/02/63/44/533026344.db2.gz WESYGGOQZNJSMR-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158576347 533026349 /nfs/dbraw/zinc/02/63/49/533026349.db2.gz WESYGGOQZNJSMR-IIDMSEBBSA-N 2 2 347.528 3.152 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000118842583 221193573 /nfs/dbraw/zinc/19/35/73/221193573.db2.gz DPOTUBYGELZJJP-OAHLLOKOSA-N 2 2 337.895 3.169 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000118842583 221193575 /nfs/dbraw/zinc/19/35/75/221193575.db2.gz DPOTUBYGELZJJP-OAHLLOKOSA-N 2 2 337.895 3.169 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000118842583 221193578 /nfs/dbraw/zinc/19/35/78/221193578.db2.gz DPOTUBYGELZJJP-OAHLLOKOSA-N 2 2 337.895 3.169 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000118842583 221193580 /nfs/dbraw/zinc/19/35/80/221193580.db2.gz DPOTUBYGELZJJP-OAHLLOKOSA-N 2 2 337.895 3.169 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cc[nH]n1 ZINC000119046078 221230782 /nfs/dbraw/zinc/23/07/82/221230782.db2.gz BZLWAMYUAAGARN-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cc[nH]n1 ZINC000119046078 221230785 /nfs/dbraw/zinc/23/07/85/221230785.db2.gz BZLWAMYUAAGARN-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000119638998 221365602 /nfs/dbraw/zinc/36/56/02/221365602.db2.gz LMQTVPACZUKWLH-UHFFFAOYSA-N 2 2 326.444 3.294 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C[C@H](C)O1 ZINC000119722148 221385172 /nfs/dbraw/zinc/38/51/72/221385172.db2.gz WAEQIOLJNYRAMO-BETUJISGSA-N 2 2 348.459 3.324 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C[C@H](C)O1 ZINC000119722148 221385176 /nfs/dbraw/zinc/38/51/76/221385176.db2.gz WAEQIOLJNYRAMO-BETUJISGSA-N 2 2 348.459 3.324 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000677803998 549333623 /nfs/dbraw/zinc/33/36/23/549333623.db2.gz DKDRZBNGZJJFOX-WOJBJXKFSA-N 2 2 346.515 3.215 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000677803998 549333627 /nfs/dbraw/zinc/33/36/27/549333627.db2.gz DKDRZBNGZJJFOX-WOJBJXKFSA-N 2 2 346.515 3.215 20 0 EGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000338133127 141099593 /nfs/dbraw/zinc/09/95/93/141099593.db2.gz XLEJTZILYDKFHX-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)cn2c1 ZINC000342797615 141149372 /nfs/dbraw/zinc/14/93/72/141149372.db2.gz GUQBLWPOQKTXPA-LNLFQRSKSA-N 2 2 326.488 3.480 20 0 EGADLP CCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000342796121 141149378 /nfs/dbraw/zinc/14/93/78/141149378.db2.gz PAFYZOVGXWSDHN-KRWDZBQOSA-N 2 2 335.455 3.449 20 0 EGADLP CCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000342796121 141149379 /nfs/dbraw/zinc/14/93/79/141149379.db2.gz PAFYZOVGXWSDHN-KRWDZBQOSA-N 2 2 335.455 3.449 20 0 EGADLP COC(=O)[C@]12C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]1CCCC2 ZINC000342829069 141151804 /nfs/dbraw/zinc/15/18/04/141151804.db2.gz ZPBPUEGHZAYYCJ-RDTXWAMCSA-N 2 2 345.468 3.099 20 0 EGADLP COC(=O)[C@]12C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]1CCCC2 ZINC000342829069 141151805 /nfs/dbraw/zinc/15/18/05/141151805.db2.gz ZPBPUEGHZAYYCJ-RDTXWAMCSA-N 2 2 345.468 3.099 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cscc3Br)CC[C@H]21 ZINC000347912152 141215530 /nfs/dbraw/zinc/21/55/30/141215530.db2.gz MDQZQYFLUJJLJF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cscc3Br)CC[C@H]21 ZINC000347912152 141215531 /nfs/dbraw/zinc/21/55/31/141215531.db2.gz MDQZQYFLUJJLJF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Br)CC[C@H]21 ZINC000347912152 141215528 /nfs/dbraw/zinc/21/55/28/141215528.db2.gz MDQZQYFLUJJLJF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cscc3Br)CC[C@H]21 ZINC000347912152 141215529 /nfs/dbraw/zinc/21/55/29/141215529.db2.gz MDQZQYFLUJJLJF-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)s1 ZINC000347934410 141220237 /nfs/dbraw/zinc/22/02/37/141220237.db2.gz YIFCBALQTWGJEM-KRWDZBQOSA-N 2 2 345.512 3.038 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)s1 ZINC000347934410 141220238 /nfs/dbraw/zinc/22/02/38/141220238.db2.gz YIFCBALQTWGJEM-KRWDZBQOSA-N 2 2 345.512 3.038 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000348039702 141235033 /nfs/dbraw/zinc/23/50/33/141235033.db2.gz JJQPDALBBWZEIL-LJQANCHMSA-N 2 2 348.556 3.496 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000352955754 141276675 /nfs/dbraw/zinc/27/66/75/141276675.db2.gz IXNHBWWTOMNTRC-CALCHBBNSA-N 2 2 335.923 3.330 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000352955754 141276676 /nfs/dbraw/zinc/27/66/76/141276676.db2.gz IXNHBWWTOMNTRC-CALCHBBNSA-N 2 2 335.923 3.330 20 0 EGADLP CSc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000356277007 141334011 /nfs/dbraw/zinc/33/40/11/141334011.db2.gz IJMYXVLDBQCOGG-AWEZNQCLSA-N 2 2 326.531 3.014 20 0 EGADLP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000356277007 141334013 /nfs/dbraw/zinc/33/40/13/141334013.db2.gz IJMYXVLDBQCOGG-AWEZNQCLSA-N 2 2 326.531 3.014 20 0 EGADLP Cc1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000356296815 141338524 /nfs/dbraw/zinc/33/85/24/141338524.db2.gz LXTJFHOHBPFSJB-UHFFFAOYSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833777 141351265 /nfs/dbraw/zinc/35/12/65/141351265.db2.gz BTZYRSMNGGVIDB-HZPDHXFCSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833777 141351266 /nfs/dbraw/zinc/35/12/66/141351266.db2.gz BTZYRSMNGGVIDB-HZPDHXFCSA-N 2 2 339.439 3.347 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000184729355 144098220 /nfs/dbraw/zinc/09/82/20/144098220.db2.gz KWWUNUWEAVKUNQ-MRXNPFEDSA-N 2 2 343.471 3.282 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000184729355 144098222 /nfs/dbraw/zinc/09/82/22/144098222.db2.gz KWWUNUWEAVKUNQ-MRXNPFEDSA-N 2 2 343.471 3.282 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680926 144209060 /nfs/dbraw/zinc/20/90/60/144209060.db2.gz QRCSJXMHWNBKSE-BEFAXECRSA-N 2 2 327.472 3.334 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680926 144209061 /nfs/dbraw/zinc/20/90/61/144209061.db2.gz QRCSJXMHWNBKSE-BEFAXECRSA-N 2 2 327.472 3.334 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCO[C@@H]1CCCCO1 ZINC000344683394 144209311 /nfs/dbraw/zinc/20/93/11/144209311.db2.gz VQWWGOKLQOWRJP-LJQANCHMSA-N 2 2 334.504 3.420 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCO[C@@H]1CCCCO1 ZINC000344683394 144209312 /nfs/dbraw/zinc/20/93/12/144209312.db2.gz VQWWGOKLQOWRJP-LJQANCHMSA-N 2 2 334.504 3.420 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@H]12 ZINC000351494990 144269424 /nfs/dbraw/zinc/26/94/24/144269424.db2.gz OPUPOEDUPILPAU-AFAVFJNCSA-N 2 2 347.459 3.030 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@H]12 ZINC000351494990 144269425 /nfs/dbraw/zinc/26/94/25/144269425.db2.gz OPUPOEDUPILPAU-AFAVFJNCSA-N 2 2 347.459 3.030 20 0 EGADLP FC(F)(F)c1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351569627 144281102 /nfs/dbraw/zinc/28/11/02/144281102.db2.gz SJMVOQBKYUSZAY-UHFFFAOYSA-N 2 2 332.329 3.379 20 0 EGADLP Cn1cc(Br)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351771807 144304562 /nfs/dbraw/zinc/30/45/62/144304562.db2.gz HAIDGNQVQGULSH-AWEZNQCLSA-N 2 2 328.298 3.094 20 0 EGADLP Cn1cc(Br)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351771807 144304563 /nfs/dbraw/zinc/30/45/63/144304563.db2.gz HAIDGNQVQGULSH-AWEZNQCLSA-N 2 2 328.298 3.094 20 0 EGADLP Cn1cc(Br)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351771807 144304565 /nfs/dbraw/zinc/30/45/65/144304565.db2.gz HAIDGNQVQGULSH-AWEZNQCLSA-N 2 2 328.298 3.094 20 0 EGADLP Cn1cc(Br)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000351771807 144304567 /nfs/dbraw/zinc/30/45/67/144304567.db2.gz HAIDGNQVQGULSH-AWEZNQCLSA-N 2 2 328.298 3.094 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847526 144316016 /nfs/dbraw/zinc/31/60/16/144316016.db2.gz AEMZAPSCIWNONL-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847526 144316018 /nfs/dbraw/zinc/31/60/18/144316018.db2.gz AEMZAPSCIWNONL-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853497 144316336 /nfs/dbraw/zinc/31/63/36/144316336.db2.gz OGZCQLJYCZTOPW-ZFWWWQNUSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853497 144316338 /nfs/dbraw/zinc/31/63/38/144316338.db2.gz OGZCQLJYCZTOPW-ZFWWWQNUSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855941 144317206 /nfs/dbraw/zinc/31/72/06/144317206.db2.gz UMDRQXXEPOQCRQ-OLZOCXBDSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855941 144317208 /nfs/dbraw/zinc/31/72/08/144317208.db2.gz UMDRQXXEPOQCRQ-OLZOCXBDSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865841 144317906 /nfs/dbraw/zinc/31/79/06/144317906.db2.gz PDFPVGSMSOJBDW-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865841 144317908 /nfs/dbraw/zinc/31/79/08/144317908.db2.gz PDFPVGSMSOJBDW-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000351877252 144319016 /nfs/dbraw/zinc/31/90/16/144319016.db2.gz BJAGOMCQQCPQOK-SUMWQHHRSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000351877252 144319018 /nfs/dbraw/zinc/31/90/18/144319018.db2.gz BJAGOMCQQCPQOK-SUMWQHHRSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000351877252 144319019 /nfs/dbraw/zinc/31/90/19/144319019.db2.gz BJAGOMCQQCPQOK-SUMWQHHRSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000351877252 144319022 /nfs/dbraw/zinc/31/90/22/144319022.db2.gz BJAGOMCQQCPQOK-SUMWQHHRSA-N 2 2 336.863 3.043 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679714 144349527 /nfs/dbraw/zinc/34/95/27/144349527.db2.gz XXRZZPYTEUZZOC-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679714 144349528 /nfs/dbraw/zinc/34/95/28/144349528.db2.gz XXRZZPYTEUZZOC-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679714 144349529 /nfs/dbraw/zinc/34/95/29/144349529.db2.gz XXRZZPYTEUZZOC-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679714 144349530 /nfs/dbraw/zinc/34/95/30/144349530.db2.gz XXRZZPYTEUZZOC-GDBMZVCRSA-N 2 2 346.862 3.306 20 0 EGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cccn1C1CC[NH2+]CC1 ZINC000361722805 144355088 /nfs/dbraw/zinc/35/50/88/144355088.db2.gz DETVDICMAOUJFN-UHFFFAOYSA-N 2 2 335.411 3.055 20 0 EGADLP Fc1ccc([C@@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850718 144371748 /nfs/dbraw/zinc/37/17/48/144371748.db2.gz DSNFTKSYNJBRKS-FUHWJXTLSA-N 2 2 328.435 3.245 20 0 EGADLP Fc1ccc([C@@H](N[C@H]2CC[N@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850718 144371749 /nfs/dbraw/zinc/37/17/49/144371749.db2.gz DSNFTKSYNJBRKS-FUHWJXTLSA-N 2 2 328.435 3.245 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000363991314 144382738 /nfs/dbraw/zinc/38/27/38/144382738.db2.gz UTMIKDFKDSUSAF-XPGWFJOJSA-N 2 2 336.483 3.067 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c3ccccc3)C1)C2 ZINC000363991314 144382740 /nfs/dbraw/zinc/38/27/40/144382740.db2.gz UTMIKDFKDSUSAF-XPGWFJOJSA-N 2 2 336.483 3.067 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843583 152157351 /nfs/dbraw/zinc/15/73/51/152157351.db2.gz FJOARMBOJBLBIV-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843583 152157355 /nfs/dbraw/zinc/15/73/55/152157355.db2.gz FJOARMBOJBLBIV-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843583 152157359 /nfs/dbraw/zinc/15/73/59/152157359.db2.gz FJOARMBOJBLBIV-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843583 152157363 /nfs/dbraw/zinc/15/73/63/152157363.db2.gz FJOARMBOJBLBIV-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)cc2)c[nH+]1 ZINC000121181931 152331531 /nfs/dbraw/zinc/33/15/31/152331531.db2.gz BSYVCWHVROXOHL-AQNXPRMDSA-N 2 2 337.467 3.369 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000156681343 152680116 /nfs/dbraw/zinc/68/01/16/152680116.db2.gz OVGIDJBZZLNMEF-JXFKEZNVSA-N 2 2 332.488 3.237 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000191070176 153174886 /nfs/dbraw/zinc/17/48/86/153174886.db2.gz LHGMYAQFSYTQCY-LJQANCHMSA-N 2 2 348.491 3.167 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C12CCC2 ZINC000344075449 286384507 /nfs/dbraw/zinc/38/45/07/286384507.db2.gz NSLPDYFTUUMBRZ-RBUKOAKNSA-N 2 2 328.500 3.023 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)c3ccco3)c2cc1C ZINC000303232939 154040175 /nfs/dbraw/zinc/04/01/75/154040175.db2.gz XDRJLPDJBDHOLY-HZPDHXFCSA-N 2 2 327.428 3.300 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)c3ccco3)c2cc1C ZINC000303232939 154040180 /nfs/dbraw/zinc/04/01/80/154040180.db2.gz XDRJLPDJBDHOLY-HZPDHXFCSA-N 2 2 327.428 3.300 20 0 EGADLP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)c(Br)c1 ZINC000311450080 154146270 /nfs/dbraw/zinc/14/62/70/154146270.db2.gz YXGCGHAFNMYUIN-UHFFFAOYSA-N 2 2 329.282 3.135 20 0 EGADLP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000325802700 154180073 /nfs/dbraw/zinc/18/00/73/154180073.db2.gz NUGHXBZYXMBDAA-QGZVFWFLSA-N 2 2 327.428 3.178 20 0 EGADLP CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000325802700 154180075 /nfs/dbraw/zinc/18/00/75/154180075.db2.gz NUGHXBZYXMBDAA-QGZVFWFLSA-N 2 2 327.428 3.178 20 0 EGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000337408666 154338614 /nfs/dbraw/zinc/33/86/14/154338614.db2.gz UQZMXZZTLXPWBD-RBUKOAKNSA-N 2 2 327.472 3.269 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479486 154373812 /nfs/dbraw/zinc/37/38/12/154373812.db2.gz CSZHAHOKYAJISZ-KRWDZBQOSA-N 2 2 346.519 3.047 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479486 154373814 /nfs/dbraw/zinc/37/38/14/154373814.db2.gz CSZHAHOKYAJISZ-KRWDZBQOSA-N 2 2 346.519 3.047 20 0 EGADLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974957 156226417 /nfs/dbraw/zinc/22/64/17/156226417.db2.gz CNQOMFZVXJXBSB-TZIWHRDSSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000346974957 156226418 /nfs/dbraw/zinc/22/64/18/156226418.db2.gz CNQOMFZVXJXBSB-TZIWHRDSSA-N 2 2 339.483 3.149 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405314 157115190 /nfs/dbraw/zinc/11/51/90/157115190.db2.gz SMPOKEBDAQTZLH-GDBMZVCRSA-N 2 2 344.459 3.222 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H]([NH+](C)C)CC3)n2)cc1 ZINC000365405314 157115192 /nfs/dbraw/zinc/11/51/92/157115192.db2.gz SMPOKEBDAQTZLH-GDBMZVCRSA-N 2 2 344.459 3.222 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365768204 157226347 /nfs/dbraw/zinc/22/63/47/157226347.db2.gz SAJKZZAMOBAXRW-WMLDXEAASA-N 2 2 336.395 3.346 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365768204 157226350 /nfs/dbraw/zinc/22/63/50/157226350.db2.gz SAJKZZAMOBAXRW-WMLDXEAASA-N 2 2 336.395 3.346 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601407 157237009 /nfs/dbraw/zinc/23/70/09/157237009.db2.gz GLZNIJFDOOLWKD-QUCCMNQESA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601407 157237012 /nfs/dbraw/zinc/23/70/12/157237012.db2.gz GLZNIJFDOOLWKD-QUCCMNQESA-N 2 2 339.483 3.332 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)n1-c1ccccc1 ZINC000368776026 157288055 /nfs/dbraw/zinc/28/80/55/157288055.db2.gz XAKYLQKILIMWNF-UXHICEINSA-N 2 2 325.456 3.476 20 0 EGADLP CN(Cc1ccc(Cl)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372557165 157355767 /nfs/dbraw/zinc/35/57/67/157355767.db2.gz ZEDWJCVDPKQLBF-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1ccc(Cl)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372557165 157355770 /nfs/dbraw/zinc/35/57/70/157355770.db2.gz ZEDWJCVDPKQLBF-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372557165 157355773 /nfs/dbraw/zinc/35/57/73/157355773.db2.gz ZEDWJCVDPKQLBF-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372557165 157355775 /nfs/dbraw/zinc/35/57/75/157355775.db2.gz ZEDWJCVDPKQLBF-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)nn1CC(C)C ZINC000093596921 162016908 /nfs/dbraw/zinc/01/69/08/162016908.db2.gz ZYUMSJQQRCSUJX-GOSISDBHSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)nn1CC(C)C ZINC000093596921 162016910 /nfs/dbraw/zinc/01/69/10/162016910.db2.gz ZYUMSJQQRCSUJX-GOSISDBHSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)nn1CC(C)C ZINC000093596922 162017123 /nfs/dbraw/zinc/01/71/23/162017123.db2.gz ZYUMSJQQRCSUJX-SFHVURJKSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)nn1CC(C)C ZINC000093596922 162017124 /nfs/dbraw/zinc/01/71/24/162017124.db2.gz ZYUMSJQQRCSUJX-SFHVURJKSA-N 2 2 348.535 3.164 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1OC(C)C ZINC000093597904 162018016 /nfs/dbraw/zinc/01/80/16/162018016.db2.gz MBKRWJDWKWCZNX-QGZVFWFLSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1OC(C)C ZINC000093597904 162018020 /nfs/dbraw/zinc/01/80/20/162018020.db2.gz MBKRWJDWKWCZNX-QGZVFWFLSA-N 2 2 332.488 3.400 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000108369579 162078716 /nfs/dbraw/zinc/07/87/16/162078716.db2.gz ZWAXAEBPGGVYBG-UHFFFAOYSA-N 2 2 345.531 3.276 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000337276104 163191273 /nfs/dbraw/zinc/19/12/73/163191273.db2.gz QSDHESRWABVLNC-UHFFFAOYSA-N 2 2 338.879 3.419 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000337276104 163191277 /nfs/dbraw/zinc/19/12/77/163191277.db2.gz QSDHESRWABVLNC-UHFFFAOYSA-N 2 2 338.879 3.419 20 0 EGADLP COc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)c(OC)c1OC ZINC000354332712 166004288 /nfs/dbraw/zinc/00/42/88/166004288.db2.gz VLSLBPLQKLRTHV-UHFFFAOYSA-N 2 2 344.455 3.181 20 0 EGADLP Cc1cccc(C[NH+]2CCN(Cc3cn4cc(C)ccc4[nH+]3)CC2)c1 ZINC000338345267 163218780 /nfs/dbraw/zinc/21/87/80/163218780.db2.gz CVUQBBSRDZRHHC-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000338689118 163319147 /nfs/dbraw/zinc/31/91/47/163319147.db2.gz RBWRSEKIUJXSKX-OALUTQOASA-N 2 2 330.472 3.244 20 0 EGADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1C(=O)OC ZINC000338936249 163392599 /nfs/dbraw/zinc/39/25/99/163392599.db2.gz XQDWCKQHRRWNFP-OAHLLOKOSA-N 2 2 336.476 3.086 20 0 EGADLP CCc1oc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C(=O)OC ZINC000338936249 163392605 /nfs/dbraw/zinc/39/26/05/163392605.db2.gz XQDWCKQHRRWNFP-OAHLLOKOSA-N 2 2 336.476 3.086 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722375 164020554 /nfs/dbraw/zinc/02/05/54/164020554.db2.gz DWZDJWLSAMAYJT-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722375 164020555 /nfs/dbraw/zinc/02/05/55/164020555.db2.gz DWZDJWLSAMAYJT-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722375 164020556 /nfs/dbraw/zinc/02/05/56/164020556.db2.gz DWZDJWLSAMAYJT-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343722375 164020558 /nfs/dbraw/zinc/02/05/58/164020558.db2.gz DWZDJWLSAMAYJT-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[C@H](C)[NH+]2CCCCC2)c1C ZINC000343849862 164050469 /nfs/dbraw/zinc/05/04/69/164050469.db2.gz WBKWFRWTRQHALD-HNNXBMFYSA-N 2 2 339.487 3.254 20 0 EGADLP COC(=O)c1occc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000343878703 164055923 /nfs/dbraw/zinc/05/59/23/164055923.db2.gz WQMAQWBZUFCJCA-UHFFFAOYSA-N 2 2 330.428 3.196 20 0 EGADLP COC(=O)c1occc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000343878703 164055926 /nfs/dbraw/zinc/05/59/26/164055926.db2.gz WQMAQWBZUFCJCA-UHFFFAOYSA-N 2 2 330.428 3.196 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000344041038 164089350 /nfs/dbraw/zinc/08/93/50/164089350.db2.gz JFLVNCOYYVZLEW-FPAYPSAMSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000344041038 164089351 /nfs/dbraw/zinc/08/93/51/164089351.db2.gz JFLVNCOYYVZLEW-FPAYPSAMSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)c1occc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000344392161 164168902 /nfs/dbraw/zinc/16/89/02/164168902.db2.gz VKGOCCIJKAMNBO-OAHLLOKOSA-N 2 2 342.439 3.381 20 0 EGADLP C[C@H]1[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@@H+]1C ZINC000346345673 164372627 /nfs/dbraw/zinc/37/26/27/164372627.db2.gz WZUSVDVKQHMMFR-KBXCAEBGSA-N 2 2 349.906 3.017 20 0 EGADLP C[C@H]1[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@H+]1C ZINC000346345673 164372628 /nfs/dbraw/zinc/37/26/28/164372628.db2.gz WZUSVDVKQHMMFR-KBXCAEBGSA-N 2 2 349.906 3.017 20 0 EGADLP Cc1ccoc1CNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000346352826 164373523 /nfs/dbraw/zinc/37/35/23/164373523.db2.gz YEMGPDSPAVBQFB-UHFFFAOYSA-N 2 2 335.411 3.259 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1cccc2ccccc21 ZINC000346485156 164385038 /nfs/dbraw/zinc/38/50/38/164385038.db2.gz FGVDTYGHRORUNE-GOSISDBHSA-N 2 2 347.418 3.327 20 0 EGADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1cccc2ccccc21 ZINC000346485156 164385040 /nfs/dbraw/zinc/38/50/40/164385040.db2.gz FGVDTYGHRORUNE-GOSISDBHSA-N 2 2 347.418 3.327 20 0 EGADLP CCn1ccnc1[C@H]1OCCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354870195 166051808 /nfs/dbraw/zinc/05/18/08/166051808.db2.gz YTKSXDPBLJJKOW-MSOLQXFVSA-N 2 2 328.460 3.049 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000351989318 165183140 /nfs/dbraw/zinc/18/31/40/165183140.db2.gz SDULKXROIJVUMA-UHFFFAOYSA-N 2 2 331.913 3.119 20 0 EGADLP Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024244 165197720 /nfs/dbraw/zinc/19/77/20/165197720.db2.gz FESFZNWMNKJFHT-HOTGVXAUSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024244 165197721 /nfs/dbraw/zinc/19/77/21/165197721.db2.gz FESFZNWMNKJFHT-HOTGVXAUSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)n2c1 ZINC000352296507 165330281 /nfs/dbraw/zinc/33/02/81/165330281.db2.gz FGHWEFJYUNVCTN-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)n2c1 ZINC000352296507 165330287 /nfs/dbraw/zinc/33/02/87/165330287.db2.gz FGHWEFJYUNVCTN-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(CC(C)C)C(C)C)CC1 ZINC000352356185 165360352 /nfs/dbraw/zinc/36/03/52/165360352.db2.gz GTZGGMBYSWCHCW-UHFFFAOYSA-N 2 2 347.503 3.126 20 0 EGADLP Cc1ccc(CCC[N@H+](C[C@H](O)COc2ccccc2)C(C)C)c[nH+]1 ZINC000355144497 166116856 /nfs/dbraw/zinc/11/68/56/166116856.db2.gz CVSIDHMDPAKVET-FQEVSTJZSA-N 2 2 342.483 3.473 20 0 EGADLP Cc1ccc(CCC[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c[nH+]1 ZINC000355144497 166116858 /nfs/dbraw/zinc/11/68/58/166116858.db2.gz CVSIDHMDPAKVET-FQEVSTJZSA-N 2 2 342.483 3.473 20 0 EGADLP COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc[nH+]cc2Cl)cc1 ZINC000355667014 166278690 /nfs/dbraw/zinc/27/86/90/166278690.db2.gz KGWZKANSYPUQMK-SFHVURJKSA-N 2 2 331.847 3.415 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](CO)CCC(C)(C)C)sc2C1 ZINC000355681534 166282555 /nfs/dbraw/zinc/28/25/55/166282555.db2.gz NCTJUWIHGQPLAD-AWEZNQCLSA-N 2 2 339.549 3.186 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](CO)CCC(C)(C)C)sc2C1 ZINC000355681534 166282556 /nfs/dbraw/zinc/28/25/56/166282556.db2.gz NCTJUWIHGQPLAD-AWEZNQCLSA-N 2 2 339.549 3.186 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCCC[NH+]3CCCCC3)cc2n1C ZINC000355982834 166366681 /nfs/dbraw/zinc/36/66/81/166366681.db2.gz IKRGWVPKTDRLFA-UHFFFAOYSA-N 2 2 342.487 3.268 20 0 EGADLP CCOc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccc1O ZINC000359098051 167066632 /nfs/dbraw/zinc/06/66/32/167066632.db2.gz MTVBLDYFMFMKJE-UHFFFAOYSA-N 2 2 337.423 3.326 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000359223644 167100380 /nfs/dbraw/zinc/10/03/80/167100380.db2.gz KRFBVXQYYJCNCQ-YOEHRIQHSA-N 2 2 328.859 3.223 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000360507530 167344277 /nfs/dbraw/zinc/34/42/77/167344277.db2.gz OJZVMMZCEJRDJC-KRWDZBQOSA-N 2 2 335.536 3.116 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1)C1CCCCC1 ZINC000360507530 167344278 /nfs/dbraw/zinc/34/42/78/167344278.db2.gz OJZVMMZCEJRDJC-KRWDZBQOSA-N 2 2 335.536 3.116 20 0 EGADLP Cc1ccc(CN2CC[C@H]([NH2+]CCCc3c[nH+]ccc3C)C2=O)cc1 ZINC000368051838 168303679 /nfs/dbraw/zinc/30/36/79/168303679.db2.gz QJORYWYDUFTAEE-FQEVSTJZSA-N 2 2 337.467 3.022 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000368066551 168306399 /nfs/dbraw/zinc/30/63/99/168306399.db2.gz YHAOZVGVPPSFBW-UHFFFAOYSA-N 2 2 344.459 3.405 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247926312 287265169 /nfs/dbraw/zinc/26/51/69/287265169.db2.gz ZUPIKQXBTLNXGE-SJORKVTESA-N 2 2 347.507 3.301 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247926312 287265172 /nfs/dbraw/zinc/26/51/72/287265172.db2.gz ZUPIKQXBTLNXGE-SJORKVTESA-N 2 2 347.507 3.301 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000677845594 549341186 /nfs/dbraw/zinc/34/11/86/549341186.db2.gz IJOGPLQMZXLXDH-WMZOPIPTSA-N 2 2 334.504 3.489 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000166421071 226159288 /nfs/dbraw/zinc/15/92/88/226159288.db2.gz PTMOMMDIHJQXMG-GFCCVEGCSA-N 2 2 345.244 3.372 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282517 265167266 /nfs/dbraw/zinc/16/72/66/265167266.db2.gz JUAWPKJOGLBOIS-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282517 265167269 /nfs/dbraw/zinc/16/72/69/265167269.db2.gz JUAWPKJOGLBOIS-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282517 265167273 /nfs/dbraw/zinc/16/72/73/265167273.db2.gz JUAWPKJOGLBOIS-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282517 265167275 /nfs/dbraw/zinc/16/72/75/265167275.db2.gz JUAWPKJOGLBOIS-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000177217459 265241250 /nfs/dbraw/zinc/24/12/50/265241250.db2.gz WKPIALQAPLMQSM-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000177217459 265241256 /nfs/dbraw/zinc/24/12/56/265241256.db2.gz WKPIALQAPLMQSM-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP CCC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000177272253 265244465 /nfs/dbraw/zinc/24/44/65/265244465.db2.gz ZJKHJKBWPRWJSD-RTBURBONSA-N 2 2 330.520 3.104 20 0 EGADLP CCC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000177272253 265244468 /nfs/dbraw/zinc/24/44/68/265244468.db2.gz ZJKHJKBWPRWJSD-RTBURBONSA-N 2 2 330.520 3.104 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000215638825 266193536 /nfs/dbraw/zinc/19/35/36/266193536.db2.gz PVKIRYBLKYGKKO-GOSISDBHSA-N 2 2 337.552 3.412 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)C[N@@H+]1C1CC1 ZINC000222688770 266196316 /nfs/dbraw/zinc/19/63/16/266196316.db2.gz ZAMUXEMSSHNNIE-WDEREUQCSA-N 2 2 329.307 3.268 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)C[N@H+]1C1CC1 ZINC000222688770 266196318 /nfs/dbraw/zinc/19/63/18/266196318.db2.gz ZAMUXEMSSHNNIE-WDEREUQCSA-N 2 2 329.307 3.268 20 0 EGADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000261810377 266265083 /nfs/dbraw/zinc/26/50/83/266265083.db2.gz RUBAGPYYKCCOIL-CRAIPNDOSA-N 2 2 338.455 3.200 20 0 EGADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268881523 266284593 /nfs/dbraw/zinc/28/45/93/266284593.db2.gz HZDQZVXITRTRCJ-IEBWSBKVSA-N 2 2 333.520 3.008 20 0 EGADLP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268881523 266284597 /nfs/dbraw/zinc/28/45/97/266284597.db2.gz HZDQZVXITRTRCJ-IEBWSBKVSA-N 2 2 333.520 3.008 20 0 EGADLP Cc1cnc([C@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000273436372 267039150 /nfs/dbraw/zinc/03/91/50/267039150.db2.gz YMDKYTAXHJMYGL-LSDHHAIUSA-N 2 2 344.484 3.130 20 0 EGADLP CC(C)Cc1ncc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000275519218 267373089 /nfs/dbraw/zinc/37/30/89/267373089.db2.gz KZTRKSBRZKHWDI-CZUORRHYSA-N 2 2 334.489 3.085 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000178657059 274025815 /nfs/dbraw/zinc/02/58/15/274025815.db2.gz CCVBGBWZEQCKDJ-GOSISDBHSA-N 2 2 330.472 3.133 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1O ZINC000245552563 275232607 /nfs/dbraw/zinc/23/26/07/275232607.db2.gz DBAOVMWBWKTHDH-WMZOPIPTSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1O ZINC000245552563 275232609 /nfs/dbraw/zinc/23/26/09/275232609.db2.gz DBAOVMWBWKTHDH-WMZOPIPTSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1O ZINC000245552563 275232610 /nfs/dbraw/zinc/23/26/10/275232610.db2.gz DBAOVMWBWKTHDH-WMZOPIPTSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1O ZINC000245552563 275232612 /nfs/dbraw/zinc/23/26/12/275232612.db2.gz DBAOVMWBWKTHDH-WMZOPIPTSA-N 2 2 332.488 3.487 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000266114059 275235068 /nfs/dbraw/zinc/23/50/68/275235068.db2.gz HWMUKCAOJXXYPY-LBPRGKRZSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccc(CO)c1 ZINC000270419472 275236944 /nfs/dbraw/zinc/23/69/44/275236944.db2.gz FDBWCUXWRWVNAC-INIZCTEOSA-N 2 2 334.529 3.191 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271887724 275238839 /nfs/dbraw/zinc/23/88/39/275238839.db2.gz WJWRWBJRVSYXMC-ZBFHGGJFSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271887724 275238840 /nfs/dbraw/zinc/23/88/40/275238840.db2.gz WJWRWBJRVSYXMC-ZBFHGGJFSA-N 2 2 344.459 3.069 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000278598109 275257821 /nfs/dbraw/zinc/25/78/21/275257821.db2.gz LQBQUPDARRYODT-UHFFFAOYSA-N 2 2 345.487 3.024 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccccc1Cl ZINC000279214681 275313248 /nfs/dbraw/zinc/31/32/48/275313248.db2.gz OEMYRDDZZUFCPM-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000280013137 275391324 /nfs/dbraw/zinc/39/13/24/275391324.db2.gz SPGKVASOBUOYRW-KKUMJFAQSA-N 2 2 329.444 3.063 20 0 EGADLP COCCC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000282272448 275617255 /nfs/dbraw/zinc/61/72/55/275617255.db2.gz KNINQWHAURRGGF-ROUUACIJSA-N 2 2 340.508 3.320 20 0 EGADLP CC[NH+]1CCC(n2nccc2NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000284022040 275768478 /nfs/dbraw/zinc/76/84/78/275768478.db2.gz QOZGQRODBLRTPF-UHFFFAOYSA-N 2 2 338.459 3.108 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284259984 275786205 /nfs/dbraw/zinc/78/62/05/275786205.db2.gz WFYASQTXNOKAQY-HNNXBMFYSA-N 2 2 348.491 3.119 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000121761808 276090578 /nfs/dbraw/zinc/09/05/78/276090578.db2.gz MIPMWIFNLOXCFY-PKOBYXMFSA-N 2 2 331.504 3.060 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000287536324 276130234 /nfs/dbraw/zinc/13/02/34/276130234.db2.gz NYRONSROTFCGJY-UHFFFAOYSA-N 2 2 348.516 3.182 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@@H+]1C ZINC000287700770 276148675 /nfs/dbraw/zinc/14/86/75/276148675.db2.gz XDAWMSWODFVXDT-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@H+]1C ZINC000287700770 276148676 /nfs/dbraw/zinc/14/86/76/276148676.db2.gz XDAWMSWODFVXDT-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000106531712 276196484 /nfs/dbraw/zinc/19/64/84/276196484.db2.gz QXZWCLLTLCXJGW-QGZVFWFLSA-N 2 2 347.507 3.158 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C)on2)CC1 ZINC000095984730 276202925 /nfs/dbraw/zinc/20/29/25/276202925.db2.gz XSUKYXWVOXNGRG-HNNXBMFYSA-N 2 2 346.450 3.115 20 0 EGADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000289104883 276291320 /nfs/dbraw/zinc/29/13/20/276291320.db2.gz CJXMRMBICXPGPD-WKILWMFISA-N 2 2 339.439 3.369 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000289354140 276326615 /nfs/dbraw/zinc/32/66/15/276326615.db2.gz HRLVWZDLILABLV-KRWDZBQOSA-N 2 2 347.503 3.267 20 0 EGADLP COc1cc(C[NH2+]CCCc2c[nH+]ccc2C)cc(OC)c1OC ZINC000289366160 276328355 /nfs/dbraw/zinc/32/83/55/276328355.db2.gz ZFJCRXLYIFQKDC-UHFFFAOYSA-N 2 2 330.428 3.138 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000289548247 276356298 /nfs/dbraw/zinc/35/62/98/276356298.db2.gz GCFIMSIEZXCBSL-XKKXFUJGSA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000289548247 276356299 /nfs/dbraw/zinc/35/62/99/276356299.db2.gz GCFIMSIEZXCBSL-XKKXFUJGSA-N 2 2 336.426 3.022 20 0 EGADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000289940887 276422621 /nfs/dbraw/zinc/42/26/21/276422621.db2.gz LMRRROJITHAJHN-IAGOWNOFSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)OCCc2sccc21 ZINC000289973862 276427838 /nfs/dbraw/zinc/42/78/38/276427838.db2.gz XOQGGVRERWSCSA-IBGZPJMESA-N 2 2 343.496 3.190 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000290355164 276484405 /nfs/dbraw/zinc/48/44/05/276484405.db2.gz JBRNLLFNENXSRE-YOEHRIQHSA-N 2 2 326.444 3.023 20 0 EGADLP COCc1cc(NCC2([NH+](C)C)CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000290475807 276499944 /nfs/dbraw/zinc/49/99/44/276499944.db2.gz AVUMMMCJAJIAQL-UHFFFAOYSA-N 2 2 347.434 3.043 20 0 EGADLP COCc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000290905356 276559014 /nfs/dbraw/zinc/55/90/14/276559014.db2.gz FXGUTKAOIRCPJM-MRXNPFEDSA-N 2 2 331.435 3.441 20 0 EGADLP COCc1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000290986598 276569696 /nfs/dbraw/zinc/56/96/96/276569696.db2.gz SKTNSSQSALCIEG-ROUUACIJSA-N 2 2 349.475 3.002 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291060279 276582765 /nfs/dbraw/zinc/58/27/65/276582765.db2.gz JULUPVACTAILIZ-UHFFFAOYSA-N 2 2 344.858 3.346 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000327172842 277988535 /nfs/dbraw/zinc/98/85/35/277988535.db2.gz ZOEQKYHZGPQUCO-GOSISDBHSA-N 2 2 339.439 3.172 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc21 ZINC000157489799 278149176 /nfs/dbraw/zinc/14/91/76/278149176.db2.gz XZHSTANCMKRXJR-LJQANCHMSA-N 2 2 341.503 3.463 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnc21 ZINC000157489799 278149178 /nfs/dbraw/zinc/14/91/78/278149178.db2.gz XZHSTANCMKRXJR-LJQANCHMSA-N 2 2 341.503 3.463 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000342546049 278311501 /nfs/dbraw/zinc/31/15/01/278311501.db2.gz RLNYXKOHJPPKMO-ZKIDJSGLSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000342546049 278311504 /nfs/dbraw/zinc/31/15/04/278311504.db2.gz RLNYXKOHJPPKMO-ZKIDJSGLSA-N 2 2 326.484 3.369 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)[NH+](C)C)cc1 ZINC000358925513 281413188 /nfs/dbraw/zinc/41/31/88/281413188.db2.gz FDCBTWALQFSYKZ-UYAOXDASSA-N 2 2 326.488 3.252 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000336783365 295006893 /nfs/dbraw/zinc/00/68/93/295006893.db2.gz ISRYZWYTUNPDER-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000336783365 295006895 /nfs/dbraw/zinc/00/68/95/295006895.db2.gz ISRYZWYTUNPDER-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H](C)CCn2cccn2)[NH+]2CCCC2)c1 ZINC000157486906 295325806 /nfs/dbraw/zinc/32/58/06/295325806.db2.gz BWSGDCVQKNRCBA-XLIONFOSSA-N 2 2 342.487 3.097 20 0 EGADLP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661799 300357317 /nfs/dbraw/zinc/35/73/17/300357317.db2.gz YAYWPWCADKBLDL-MZTNWIODSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661799 300357319 /nfs/dbraw/zinc/35/73/19/300357319.db2.gz YAYWPWCADKBLDL-MZTNWIODSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000092666147 307465974 /nfs/dbraw/zinc/46/59/74/307465974.db2.gz QBFHFYPEPPCKIY-HZPDHXFCSA-N 2 2 348.560 3.011 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000414048208 309057645 /nfs/dbraw/zinc/05/76/45/309057645.db2.gz DJLJZXYPYRZDJG-YLJYHZDGSA-N 2 2 339.483 3.448 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414063351 309058574 /nfs/dbraw/zinc/05/85/74/309058574.db2.gz MICTVYRLZSCUPV-KRWDZBQOSA-N 2 2 338.499 3.187 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082199 309059981 /nfs/dbraw/zinc/05/99/81/309059981.db2.gz VBUXMJOWPGUREA-IEBWSBKVSA-N 2 2 338.499 3.045 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082199 309059982 /nfs/dbraw/zinc/05/99/82/309059982.db2.gz VBUXMJOWPGUREA-IEBWSBKVSA-N 2 2 338.499 3.045 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414120766 309062153 /nfs/dbraw/zinc/06/21/53/309062153.db2.gz YLOCIECEAKLFEU-ZWOKBUDYSA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414120766 309062154 /nfs/dbraw/zinc/06/21/54/309062154.db2.gz YLOCIECEAKLFEU-ZWOKBUDYSA-N 2 2 339.483 3.274 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(F)(F)F ZINC000414284676 309070608 /nfs/dbraw/zinc/07/06/08/309070608.db2.gz QWFKTAHTFKVBQS-OFQRWUPVSA-N 2 2 329.410 3.470 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(F)(F)F ZINC000414284676 309070609 /nfs/dbraw/zinc/07/06/09/309070609.db2.gz QWFKTAHTFKVBQS-OFQRWUPVSA-N 2 2 329.410 3.470 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)nn1C ZINC000414289320 309070884 /nfs/dbraw/zinc/07/08/84/309070884.db2.gz RJFMBGSVYXKBAT-UHFFFAOYSA-N 2 2 326.488 3.250 20 0 EGADLP CC(C)Oc1ccc(CC[C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414302964 309071608 /nfs/dbraw/zinc/07/16/08/309071608.db2.gz WQDZMFWMQIYZKN-MRXNPFEDSA-N 2 2 344.503 3.384 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc3c1OC(F)(F)O3)CCC2 ZINC000414361545 309075249 /nfs/dbraw/zinc/07/52/49/309075249.db2.gz SVCPNXMLBOJUEQ-ZDUSSCGKSA-N 2 2 335.354 3.180 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414369978 309075955 /nfs/dbraw/zinc/07/59/55/309075955.db2.gz KUMZZTXTJMCXEN-UHFFFAOYSA-N 2 2 330.451 3.236 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414369978 309075956 /nfs/dbraw/zinc/07/59/56/309075956.db2.gz KUMZZTXTJMCXEN-UHFFFAOYSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248842010 308012968 /nfs/dbraw/zinc/01/29/68/308012968.db2.gz OENRBNZUJPCTAC-BVYCBKJFSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248842010 308012969 /nfs/dbraw/zinc/01/29/69/308012969.db2.gz OENRBNZUJPCTAC-BVYCBKJFSA-N 2 2 338.495 3.324 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000249189910 308020921 /nfs/dbraw/zinc/02/09/21/308020921.db2.gz NLGQJGVEMFRRCP-CRAIPNDOSA-N 2 2 330.451 3.348 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000249189910 308020923 /nfs/dbraw/zinc/02/09/23/308020923.db2.gz NLGQJGVEMFRRCP-CRAIPNDOSA-N 2 2 330.451 3.348 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000252644196 308032453 /nfs/dbraw/zinc/03/24/53/308032453.db2.gz NOJPYPYBAAOVQK-NZSAHSFTSA-N 2 2 327.472 3.135 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000252644196 308032455 /nfs/dbraw/zinc/03/24/55/308032455.db2.gz NOJPYPYBAAOVQK-NZSAHSFTSA-N 2 2 327.472 3.135 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022782 308091213 /nfs/dbraw/zinc/09/12/13/308091213.db2.gz QVZYGHXQXBFQSP-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022782 308091215 /nfs/dbraw/zinc/09/12/15/308091215.db2.gz QVZYGHXQXBFQSP-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000293022782 308091217 /nfs/dbraw/zinc/09/12/17/308091217.db2.gz QVZYGHXQXBFQSP-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000293022782 308091219 /nfs/dbraw/zinc/09/12/19/308091219.db2.gz QVZYGHXQXBFQSP-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293107111 308100210 /nfs/dbraw/zinc/10/02/10/308100210.db2.gz YFQIQUDINBWINW-HXUWFJFHSA-N 2 2 325.456 3.077 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293107111 308100211 /nfs/dbraw/zinc/10/02/11/308100211.db2.gz YFQIQUDINBWINW-HXUWFJFHSA-N 2 2 325.456 3.077 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293107111 308100212 /nfs/dbraw/zinc/10/02/12/308100212.db2.gz YFQIQUDINBWINW-HXUWFJFHSA-N 2 2 325.456 3.077 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293107111 308100213 /nfs/dbraw/zinc/10/02/13/308100213.db2.gz YFQIQUDINBWINW-HXUWFJFHSA-N 2 2 325.456 3.077 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882914 308170722 /nfs/dbraw/zinc/17/07/22/308170722.db2.gz VNADLHUCIVLWCK-GDBMZVCRSA-N 2 2 333.505 3.057 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882914 308170724 /nfs/dbraw/zinc/17/07/24/308170724.db2.gz VNADLHUCIVLWCK-GDBMZVCRSA-N 2 2 333.505 3.057 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911655 308173166 /nfs/dbraw/zinc/17/31/66/308173166.db2.gz WXRSEDJUQDNQFI-MAUKXSAKSA-N 2 2 331.460 3.168 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911655 308173167 /nfs/dbraw/zinc/17/31/67/308173167.db2.gz WXRSEDJUQDNQFI-MAUKXSAKSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948966 308275335 /nfs/dbraw/zinc/27/53/35/308275335.db2.gz YIMINYWAGOXIEC-HLLBOEOZSA-N 2 2 343.471 3.309 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948966 308275336 /nfs/dbraw/zinc/27/53/36/308275336.db2.gz YIMINYWAGOXIEC-HLLBOEOZSA-N 2 2 343.471 3.309 20 0 EGADLP CC(C)C[C@@H]([NH3+])c1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000414624279 309092170 /nfs/dbraw/zinc/09/21/70/309092170.db2.gz UZWQMMOXFNXWRF-GFCCVEGCSA-N 2 2 348.357 3.301 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414800406 309102281 /nfs/dbraw/zinc/10/22/81/309102281.db2.gz FRRLSUWQHVEADC-UHFFFAOYSA-N 2 2 342.487 3.487 20 0 EGADLP CC(C)(O)COc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000298460213 308616261 /nfs/dbraw/zinc/61/62/61/308616261.db2.gz OFNOXETVXLNPEM-UHFFFAOYSA-N 2 2 341.455 3.312 20 0 EGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414809484 309102803 /nfs/dbraw/zinc/10/28/03/309102803.db2.gz UGQUYIKSXWZADX-KXBFYZLASA-N 3 2 335.923 3.412 20 0 EGADLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc2c1OCO2 ZINC000414848638 309105254 /nfs/dbraw/zinc/10/52/54/309105254.db2.gz QJUUKKDZBGAJGQ-KRWDZBQOSA-N 2 2 342.439 3.337 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CCC[NH2+]1 ZINC000414945282 309110454 /nfs/dbraw/zinc/11/04/54/309110454.db2.gz PVBRNUZQDUXPDX-NRFANRHFSA-N 2 2 340.467 3.124 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414943562 309110503 /nfs/dbraw/zinc/11/05/03/309110503.db2.gz FOEYFCUJHAIIML-APWZRJJASA-N 2 2 332.394 3.209 20 0 EGADLP [NH3+]C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc2ccccc2c1 ZINC000414944894 309110508 /nfs/dbraw/zinc/11/05/08/309110508.db2.gz QQPCJBBGNLUXHY-SFHVURJKSA-N 2 2 333.426 3.159 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414951513 309110878 /nfs/dbraw/zinc/11/08/78/309110878.db2.gz JDKFRANBURPRBH-DOMZBBRYSA-N 2 2 338.377 3.121 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000414985077 309112776 /nfs/dbraw/zinc/11/27/76/309112776.db2.gz VNPZRSZWLKUHHK-MRXNPFEDSA-N 2 2 331.847 3.419 20 0 EGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000415077803 309118772 /nfs/dbraw/zinc/11/87/72/309118772.db2.gz FMJNXADWMLGEKA-RDJZCZTQSA-N 3 2 330.451 3.412 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415085192 309119138 /nfs/dbraw/zinc/11/91/38/309119138.db2.gz QMJVNINRPUGSDN-QYRPDUKASA-N 3 2 342.531 3.117 20 0 EGADLP C[NH2+][C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415187919 309125462 /nfs/dbraw/zinc/12/54/62/309125462.db2.gz QHQUHGHEHLUXOX-HNNXBMFYSA-N 2 2 326.400 3.090 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415190997 309125624 /nfs/dbraw/zinc/12/56/24/309125624.db2.gz VHGPDJLZAGHVAN-KGLIPLIRSA-N 2 2 326.400 3.075 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC(C)(C)[NH3+])c1 ZINC000415293690 309130053 /nfs/dbraw/zinc/13/00/53/309130053.db2.gz MRVAXXCZCYKRAT-UHFFFAOYSA-N 2 2 329.448 3.209 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)CCC[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000415453457 309133942 /nfs/dbraw/zinc/13/39/42/309133942.db2.gz LLCWTRKGDQJVGB-HUUCEWRRSA-N 2 2 333.480 3.018 20 0 EGADLP Cc1[nH+]c2cc(NCc3cn4cc(C)ccc4[nH+]3)ccc2n1[C@@H](C)CO ZINC000419763847 309271745 /nfs/dbraw/zinc/27/17/45/309271745.db2.gz OHMPPTXGKWFCLI-AWEZNQCLSA-N 2 2 349.438 3.466 20 0 EGADLP C[N@H+](CC(C)(C)C[NH3+])[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420293276 309279676 /nfs/dbraw/zinc/27/96/76/309279676.db2.gz QSJIZINRTFIUGC-SFHVURJKSA-N 2 2 343.446 3.422 20 0 EGADLP C[N@@H+](CC(C)(C)C[NH3+])[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420293276 309279677 /nfs/dbraw/zinc/27/96/77/309279677.db2.gz QSJIZINRTFIUGC-SFHVURJKSA-N 2 2 343.446 3.422 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301870 309280591 /nfs/dbraw/zinc/28/05/91/309280591.db2.gz VZKPAKGOAFHFIR-BEFAXECRSA-N 2 2 341.430 3.047 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301870 309280592 /nfs/dbraw/zinc/28/05/92/309280592.db2.gz VZKPAKGOAFHFIR-BEFAXECRSA-N 2 2 341.430 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420309272 309281027 /nfs/dbraw/zinc/28/10/27/309281027.db2.gz DVEOXGGAAOEXQI-TZIWHRDSSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000420309272 309281028 /nfs/dbraw/zinc/28/10/28/309281028.db2.gz DVEOXGGAAOEXQI-TZIWHRDSSA-N 2 2 337.467 3.346 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420322091 309282052 /nfs/dbraw/zinc/28/20/52/309282052.db2.gz WCFDOBKYVRDQOM-QUCCMNQESA-N 2 2 341.430 3.176 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420322091 309282053 /nfs/dbraw/zinc/28/20/53/309282053.db2.gz WCFDOBKYVRDQOM-QUCCMNQESA-N 2 2 341.430 3.176 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420357551 309283973 /nfs/dbraw/zinc/28/39/73/309283973.db2.gz IEAGUCVANADDPA-GOSISDBHSA-N 2 2 331.504 3.420 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000420360767 309284224 /nfs/dbraw/zinc/28/42/24/309284224.db2.gz LKKWOOOSMKROIQ-ICSRJNTNSA-N 2 2 345.531 3.387 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420363586 309284299 /nfs/dbraw/zinc/28/42/99/309284299.db2.gz OBKCTWMNIWBEFY-SFHVURJKSA-N 2 2 325.456 3.255 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000420385785 309285821 /nfs/dbraw/zinc/28/58/21/309285821.db2.gz FHYQJMJFWPZOPV-YJBOKZPZSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000420385785 309285822 /nfs/dbraw/zinc/28/58/22/309285822.db2.gz FHYQJMJFWPZOPV-YJBOKZPZSA-N 2 2 329.419 3.445 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392062 309285850 /nfs/dbraw/zinc/28/58/50/309285850.db2.gz IXAYCRZGYVXDNH-PXNSSMCTSA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392062 309285851 /nfs/dbraw/zinc/28/58/51/309285851.db2.gz IXAYCRZGYVXDNH-PXNSSMCTSA-N 2 2 337.467 3.242 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420391502 309285929 /nfs/dbraw/zinc/28/59/29/309285929.db2.gz IMOPORSKGRTJOK-KDOFPFPSSA-N 2 2 346.425 3.115 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420391502 309285930 /nfs/dbraw/zinc/28/59/30/309285930.db2.gz IMOPORSKGRTJOK-KDOFPFPSSA-N 2 2 346.425 3.115 20 0 EGADLP [NH3+]Cc1nc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)no1 ZINC000420395521 309286247 /nfs/dbraw/zinc/28/62/47/309286247.db2.gz DMJBRDKLRRCGBO-NQIIRXRSSA-N 2 2 348.450 3.479 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(C4CC4)cs3)CC2)CC1 ZINC000420983635 309305741 /nfs/dbraw/zinc/30/57/41/309305741.db2.gz QYEDAILBVNVELI-UHFFFAOYSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(C4CC4)cs3)CC2)CC1 ZINC000420983635 309305742 /nfs/dbraw/zinc/30/57/42/309305742.db2.gz QYEDAILBVNVELI-UHFFFAOYSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3nc(C4CC4)cs3)CC2)CC1 ZINC000420983635 309305743 /nfs/dbraw/zinc/30/57/43/309305743.db2.gz QYEDAILBVNVELI-UHFFFAOYSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nc(C4CC4)cs3)CC2)CC1 ZINC000420983635 309305744 /nfs/dbraw/zinc/30/57/44/309305744.db2.gz QYEDAILBVNVELI-UHFFFAOYSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccccc3C)CC2)CC1 ZINC000421025691 309308686 /nfs/dbraw/zinc/30/86/86/309308686.db2.gz DQBOLBWBUYLEKO-UHFFFAOYSA-N 2 2 344.503 3.019 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccccc3C)CC2)CC1 ZINC000421025691 309308687 /nfs/dbraw/zinc/30/86/87/309308687.db2.gz DQBOLBWBUYLEKO-UHFFFAOYSA-N 2 2 344.503 3.019 20 0 EGADLP c1cnc2c(c1)CC[C@H]([NH2+]CC1([NH+]3CCSCC3)CCCC1)CC2 ZINC000421820063 309341552 /nfs/dbraw/zinc/34/15/52/309341552.db2.gz KMEGHKRNEXJBIS-SFHVURJKSA-N 2 2 345.556 3.280 20 0 EGADLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000421822445 309341664 /nfs/dbraw/zinc/34/16/64/309341664.db2.gz XAUAWSLCYPSZCI-KRWDZBQOSA-N 2 2 331.504 3.373 20 0 EGADLP COC1([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849908 309343255 /nfs/dbraw/zinc/34/32/55/309343255.db2.gz CPTVLIAJSDBGPN-AZUAARDMSA-N 2 2 346.515 3.215 20 0 EGADLP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849908 309343256 /nfs/dbraw/zinc/34/32/56/309343256.db2.gz CPTVLIAJSDBGPN-AZUAARDMSA-N 2 2 346.515 3.215 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)C(C)(C)C)CC2)CC1 ZINC000422008680 309350670 /nfs/dbraw/zinc/35/06/70/309350670.db2.gz AKBDBOJNIAYIPA-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)C(C)(C)C)CC2)CC1 ZINC000422008680 309350671 /nfs/dbraw/zinc/35/06/71/309350671.db2.gz AKBDBOJNIAYIPA-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422722188 309364887 /nfs/dbraw/zinc/36/48/87/309364887.db2.gz XCIZXJCILPUBJR-SJORKVTESA-N 2 2 327.428 3.152 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422727263 309365378 /nfs/dbraw/zinc/36/53/78/309365378.db2.gz BZKJHMABMAQKEQ-FXAWDEMLSA-N 2 2 340.467 3.122 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1c(F)cccc1F ZINC000422748078 309366405 /nfs/dbraw/zinc/36/64/05/309366405.db2.gz RVCCHNNNMRRQPV-OKZBNKHCSA-N 2 2 331.410 3.302 20 0 EGADLP c1sc(-c2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422753958 309366581 /nfs/dbraw/zinc/36/65/81/309366581.db2.gz FNBNUICIGZSSKZ-OKZBNKHCSA-N 2 2 343.496 3.057 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000422753733 309366678 /nfs/dbraw/zinc/36/66/78/309366678.db2.gz GIVBWZCMMRDWAM-XLIONFOSSA-N 3 2 333.520 3.329 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422787516 309368219 /nfs/dbraw/zinc/36/82/19/309368219.db2.gz RKWVOPFDQBNLPG-RDTXWAMCSA-N 2 2 327.428 3.113 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422828940 309370725 /nfs/dbraw/zinc/37/07/25/309370725.db2.gz UEFBUOVBANTYDW-WFASDCNBSA-N 2 2 331.287 3.283 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422838770 309371224 /nfs/dbraw/zinc/37/12/24/309371224.db2.gz XZMKFZWJSCZMBS-YUXAGFNASA-N 2 2 337.511 3.199 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422845021 309371680 /nfs/dbraw/zinc/37/16/80/309371680.db2.gz ARTWSPXORWYVMC-QAPCUYQASA-N 2 2 329.513 3.406 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422848386 309372005 /nfs/dbraw/zinc/37/20/05/309372005.db2.gz JWTWQLFLDRTCND-FUHWJXTLSA-N 2 2 332.488 3.255 20 0 EGADLP C[C@H](NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422851948 309372026 /nfs/dbraw/zinc/37/20/26/309372026.db2.gz XNFUQYPKGMPTNF-XKQJLSEDSA-N 2 2 339.886 3.346 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422893032 309374640 /nfs/dbraw/zinc/37/46/40/309374640.db2.gz OGOQAJDDOGXZRR-FXAWDEMLSA-N 3 2 333.520 3.027 20 0 EGADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CC[NH2+]C2)CCC3)cc1 ZINC000422904261 309375462 /nfs/dbraw/zinc/37/54/62/309375462.db2.gz GOBSNJOKSHEVEJ-ZFWWWQNUSA-N 2 2 329.469 3.148 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422906946 309375654 /nfs/dbraw/zinc/37/56/54/309375654.db2.gz KQEKFBNWHRDKKG-XJKSGUPXSA-N 2 2 344.421 3.340 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000422925994 309376422 /nfs/dbraw/zinc/37/64/22/309376422.db2.gz CEVSADPPSHQHLG-DGCLKSJQSA-N 2 2 329.271 3.339 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)cc2)cc1 ZINC000422926152 309376454 /nfs/dbraw/zinc/37/64/54/309376454.db2.gz WJPZCDYJOZXMRZ-UZLBHIALSA-N 2 2 340.467 3.219 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCC[NH2+]1 ZINC000422942568 309377372 /nfs/dbraw/zinc/37/73/72/309377372.db2.gz JFSAWZDEHYEHNH-SKDRFNHKSA-N 2 2 349.219 3.281 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCC[NH2+]1 ZINC000422947767 309377502 /nfs/dbraw/zinc/37/75/02/309377502.db2.gz YVMXENWCIWIUJJ-APWZRJJASA-N 2 2 334.467 3.315 20 0 EGADLP CC(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422947236 309377529 /nfs/dbraw/zinc/37/75/29/309377529.db2.gz XVEYKUHYUCMPKQ-FBPXKMNZSA-N 3 2 329.532 3.176 20 0 EGADLP CC(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)[N@H+]1CCc2ccccc2C1 ZINC000422947236 309377530 /nfs/dbraw/zinc/37/75/30/309377530.db2.gz XVEYKUHYUCMPKQ-FBPXKMNZSA-N 3 2 329.532 3.176 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422954690 309377818 /nfs/dbraw/zinc/37/78/18/309377818.db2.gz HYVXCWRBXNWGCM-XJKSGUPXSA-N 2 2 342.405 3.441 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422999830 309380167 /nfs/dbraw/zinc/38/01/67/309380167.db2.gz SXWOZFHMTMQKQK-LPWQTFTOSA-N 2 2 332.488 3.042 20 0 EGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(=O)Nc1nccs1 ZINC000423013411 309381060 /nfs/dbraw/zinc/38/10/60/309381060.db2.gz FWPUCGFBVCCWHA-XHSDSOJGSA-N 2 2 344.484 3.231 20 0 EGADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]CC[NH3+] ZINC000423176563 309389227 /nfs/dbraw/zinc/38/92/27/309389227.db2.gz GKYKLJKXAWXEPM-VIFPVBQESA-N 2 2 340.290 3.490 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230721 309391389 /nfs/dbraw/zinc/39/13/89/309391389.db2.gz FFTUOMJEWGQMDL-IINYFYTJSA-N 2 2 329.669 3.431 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423233645 309391650 /nfs/dbraw/zinc/39/16/50/309391650.db2.gz KHPKXAITRPLABC-VHSXEESVSA-N 2 2 336.329 3.292 20 0 EGADLP CC[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423237654 309391817 /nfs/dbraw/zinc/39/18/17/309391817.db2.gz DKFACLIKMDBDLH-HNNXBMFYSA-N 2 2 331.485 3.395 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000423296793 309394272 /nfs/dbraw/zinc/39/42/72/309394272.db2.gz ZWBABHPIVJVLCC-KUHUBIRLSA-N 2 2 338.430 3.458 20 0 EGADLP Fc1cccc([C@@H]([NH2+]CC2C[NH2+]C2)c2cccc(Br)c2)c1 ZINC000423304508 309394649 /nfs/dbraw/zinc/39/46/49/309394649.db2.gz OFCBAEWCUIWRQF-KRWDZBQOSA-N 2 2 349.247 3.487 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330163 309395617 /nfs/dbraw/zinc/39/56/17/309395617.db2.gz TYWYXRARCLBHQJ-UWHLTILDSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423330163 309395618 /nfs/dbraw/zinc/39/56/18/309395618.db2.gz TYWYXRARCLBHQJ-UWHLTILDSA-N 3 2 327.516 3.004 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423340297 309396004 /nfs/dbraw/zinc/39/60/04/309396004.db2.gz VWLFGMIBZRNPJH-SCLBCKFNSA-N 2 2 347.894 3.269 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000423342745 309396274 /nfs/dbraw/zinc/39/62/74/309396274.db2.gz VPCPOZCZRUGMHK-QXAKKESOSA-N 2 2 326.440 3.401 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423346007 309396378 /nfs/dbraw/zinc/39/63/78/309396378.db2.gz YFICGMAHGUTAOD-HOCLYGCPSA-N 2 2 330.394 3.167 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCCC2=O)c1 ZINC000423395997 309398595 /nfs/dbraw/zinc/39/85/95/309398595.db2.gz SVXJSYRBDAADGS-QAPCUYQASA-N 2 2 329.488 3.242 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1C ZINC000423404920 309398670 /nfs/dbraw/zinc/39/86/70/309398670.db2.gz SWERBFCJDIRUGT-JKTDJZPLSA-N 2 2 340.467 3.407 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000423413458 309399280 /nfs/dbraw/zinc/39/92/80/309399280.db2.gz KQDNQUSKJQFJJE-PXAZEXFGSA-N 2 2 347.409 3.017 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1Br ZINC000423415966 309399425 /nfs/dbraw/zinc/39/94/25/309399425.db2.gz FJTAMHUUZQYPHN-JKSUJKDBSA-N 2 2 341.293 3.258 20 0 EGADLP Clc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423492432 309402919 /nfs/dbraw/zinc/40/29/19/309402919.db2.gz NAYCOVVVTIKTCV-MOPGFXCFSA-N 2 2 330.859 3.398 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH2+]C2CC2)nnn1-c1ccc(Cl)cc1 ZINC000423516635 309404392 /nfs/dbraw/zinc/40/43/92/309404392.db2.gz AXYNOMBGUDUPQX-LBPRGKRZSA-N 2 2 333.867 3.022 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2[nH+]c1C1CC1 ZINC000423813015 309414157 /nfs/dbraw/zinc/41/41/57/309414157.db2.gz PVHFKCLLVWBPQF-UKRRQHHQSA-N 2 2 326.444 3.297 20 0 EGADLP Cn1c2ccc(NC(=O)CC[C@H]3CC[NH2+]C3)cc2[nH+]c1C(C)(C)C ZINC000423812589 309414230 /nfs/dbraw/zinc/41/42/30/309414230.db2.gz PCAMPDJJYWPMKW-ZDUSSCGKSA-N 2 2 328.460 3.199 20 0 EGADLP Cc1ccn2cc(CNC(=O)CC[C@H]([NH3+])CC3CCCCC3)[nH+]c2c1 ZINC000424135268 309430419 /nfs/dbraw/zinc/43/04/19/309430419.db2.gz OTCAWKMFUXAYPJ-KRWDZBQOSA-N 2 2 342.487 3.337 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)CC[C@@H]([NH3+])CC3CCCCC3)cn2c1 ZINC000424140740 309430504 /nfs/dbraw/zinc/43/05/04/309430504.db2.gz WQVNPPQUMURKIC-QGZVFWFLSA-N 2 2 342.487 3.337 20 0 EGADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCc3[nH+]ccn3Cc3ccccc3)C[C@H]2C1 ZINC000424262744 309435055 /nfs/dbraw/zinc/43/50/55/309435055.db2.gz GMDKKZUZMZSHSH-FGYAAKKASA-N 2 2 339.483 3.267 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cs2)cc1OC ZINC000424282689 309436275 /nfs/dbraw/zinc/43/62/75/309436275.db2.gz ABQAWSGKEMMOKT-HUUCEWRRSA-N 2 2 347.484 3.187 20 0 EGADLP Fc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000427869403 309537514 /nfs/dbraw/zinc/53/75/14/309537514.db2.gz WJAALWOWISDUJP-KXBFYZLASA-N 2 2 340.377 3.250 20 0 EGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430582481 309611770 /nfs/dbraw/zinc/61/17/70/309611770.db2.gz KRWZCVGCJGGTJL-IAGOWNOFSA-N 2 2 343.515 3.025 20 0 EGADLP C[C@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1cccc(-n2cc[nH+]c2)c1 ZINC000431021995 309623674 /nfs/dbraw/zinc/62/36/74/309623674.db2.gz BTZYFLAYLNBIJH-ZYSHUDEJSA-N 2 2 340.471 3.347 20 0 EGADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432229022 309655166 /nfs/dbraw/zinc/65/51/66/309655166.db2.gz ABXJSPJPWUBHKX-UHFFFAOYSA-N 2 2 335.250 3.069 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH]n1 ZINC000440626957 309853135 /nfs/dbraw/zinc/85/31/35/309853135.db2.gz PBNGMLMUUNYNBR-UHFFFAOYSA-N 2 2 330.398 3.315 20 0 EGADLP COC(=O)C1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000442888143 309890660 /nfs/dbraw/zinc/89/06/60/309890660.db2.gz FETLORHEHHAWHW-UHFFFAOYSA-N 2 2 336.520 3.354 20 0 EGADLP C[NH+](C)[C@H](CNc1cc[nH+]c2ccncc12)c1ccccc1Cl ZINC000444115919 309913695 /nfs/dbraw/zinc/91/36/95/309913695.db2.gz NWLAXVXRQUWXRH-GOSISDBHSA-N 2 2 326.831 3.420 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000447546687 309981756 /nfs/dbraw/zinc/98/17/56/309981756.db2.gz YAXKBZBQVNHZFS-CQSZACIVSA-N 2 2 339.395 3.162 20 0 EGADLP COc1ccc(-n2cc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cn2)cc1 ZINC000449088448 310036136 /nfs/dbraw/zinc/03/61/36/310036136.db2.gz IKKDDQYNRJVLLA-UHFFFAOYSA-N 2 2 342.487 3.233 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000449168397 310041906 /nfs/dbraw/zinc/04/19/06/310041906.db2.gz MLMATUJXBKMGNH-OAHLLOKOSA-N 2 2 328.460 3.413 20 0 EGADLP COc1cccc2c(C[NH2+][C@@H](C)CC[NH+]3CCOCC3)cccc12 ZINC000449220914 310045704 /nfs/dbraw/zinc/04/57/04/310045704.db2.gz FBDHNWDANASICR-INIZCTEOSA-N 2 2 328.456 3.049 20 0 EGADLP COc1cc(F)cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000449261710 310048157 /nfs/dbraw/zinc/04/81/57/310048157.db2.gz DWFKRLIEUKFEBV-PXNSSMCTSA-N 2 2 343.446 3.354 20 0 EGADLP COc1cc(F)cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000449261710 310048158 /nfs/dbraw/zinc/04/81/58/310048158.db2.gz DWFKRLIEUKFEBV-PXNSSMCTSA-N 2 2 343.446 3.354 20 0 EGADLP COc1cc(F)cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000449261710 310048159 /nfs/dbraw/zinc/04/81/59/310048159.db2.gz DWFKRLIEUKFEBV-PXNSSMCTSA-N 2 2 343.446 3.354 20 0 EGADLP COc1cc(F)cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000449261710 310048160 /nfs/dbraw/zinc/04/81/60/310048160.db2.gz DWFKRLIEUKFEBV-PXNSSMCTSA-N 2 2 343.446 3.354 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398459 310058879 /nfs/dbraw/zinc/05/88/79/310058879.db2.gz VASMOQNOPQXHCL-SLTXQBBLSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398459 310058880 /nfs/dbraw/zinc/05/88/80/310058880.db2.gz VASMOQNOPQXHCL-SLTXQBBLSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000449439107 310062184 /nfs/dbraw/zinc/06/21/84/310062184.db2.gz SBFXNOKQOPDQQA-VMGRFDJRSA-N 2 2 342.405 3.344 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000449439107 310062185 /nfs/dbraw/zinc/06/21/85/310062185.db2.gz SBFXNOKQOPDQQA-VMGRFDJRSA-N 2 2 342.405 3.344 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449480878 310065637 /nfs/dbraw/zinc/06/56/37/310065637.db2.gz PNXOQTSLHQJUHD-HOJAQTOUSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449480878 310065638 /nfs/dbraw/zinc/06/56/38/310065638.db2.gz PNXOQTSLHQJUHD-HOJAQTOUSA-N 2 2 328.500 3.446 20 0 EGADLP Cc1ccc(F)c(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000449558634 310071908 /nfs/dbraw/zinc/07/19/08/310071908.db2.gz XTHKICPNRMGDEF-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP Cc1cc(C)c(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cn1 ZINC000449735954 310083222 /nfs/dbraw/zinc/08/32/22/310083222.db2.gz TUBQFGXZCPYXTC-UHFFFAOYSA-N 2 2 330.501 3.211 20 0 EGADLP Cc1cc(C)c(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)cn1 ZINC000449735954 310083223 /nfs/dbraw/zinc/08/32/23/310083223.db2.gz TUBQFGXZCPYXTC-UHFFFAOYSA-N 2 2 330.501 3.211 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379431 310119233 /nfs/dbraw/zinc/11/92/33/310119233.db2.gz NZLIJCMXTFJXEV-CQSZACIVSA-N 2 2 341.381 3.041 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccn(CC(F)(F)F)n2)C1 ZINC000450379431 310119234 /nfs/dbraw/zinc/11/92/34/310119234.db2.gz NZLIJCMXTFJXEV-CQSZACIVSA-N 2 2 341.381 3.041 20 0 EGADLP COc1cccc2c1cc[nH+]c2N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000450389925 310119800 /nfs/dbraw/zinc/11/98/00/310119800.db2.gz KWJQGKQWWAPAOT-HNNXBMFYSA-N 2 2 336.439 3.436 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466597 310124430 /nfs/dbraw/zinc/12/44/30/310124430.db2.gz JKUMRQWSNJDAHX-HIFRSBDPSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466597 310124431 /nfs/dbraw/zinc/12/44/31/310124431.db2.gz JKUMRQWSNJDAHX-HIFRSBDPSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466597 310124432 /nfs/dbraw/zinc/12/44/32/310124432.db2.gz JKUMRQWSNJDAHX-HIFRSBDPSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466597 310124433 /nfs/dbraw/zinc/12/44/33/310124433.db2.gz JKUMRQWSNJDAHX-HIFRSBDPSA-N 2 2 338.879 3.431 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000450497424 310126415 /nfs/dbraw/zinc/12/64/15/310126415.db2.gz DAYILFPLVNASOM-OAHLLOKOSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000450497424 310126416 /nfs/dbraw/zinc/12/64/16/310126416.db2.gz DAYILFPLVNASOM-OAHLLOKOSA-N 2 2 346.814 3.175 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000450597805 310132163 /nfs/dbraw/zinc/13/21/63/310132163.db2.gz ICLINFOONBRMID-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000450597805 310132164 /nfs/dbraw/zinc/13/21/64/310132164.db2.gz ICLINFOONBRMID-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000451020900 310155787 /nfs/dbraw/zinc/15/57/87/310155787.db2.gz AJTKFPYSMVYTKH-CABCVRRESA-N 2 2 339.430 3.426 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000451020900 310155788 /nfs/dbraw/zinc/15/57/88/310155788.db2.gz AJTKFPYSMVYTKH-CABCVRRESA-N 2 2 339.430 3.426 20 0 EGADLP C[NH+](C)[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1 ZINC000452337407 310224074 /nfs/dbraw/zinc/22/40/74/310224074.db2.gz ZXRFNPPNXWUVOX-MRXNPFEDSA-N 2 2 332.835 3.114 20 0 EGADLP COc1ccc(C)[nH+]c1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000453046470 310254282 /nfs/dbraw/zinc/25/42/82/310254282.db2.gz MKSZOQPCPDELPG-UHFFFAOYSA-N 2 2 332.473 3.234 20 0 EGADLP COc1ccc(C)[nH+]c1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000453046470 310254283 /nfs/dbraw/zinc/25/42/83/310254283.db2.gz MKSZOQPCPDELPG-UHFFFAOYSA-N 2 2 332.473 3.234 20 0 EGADLP c1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000453070282 310255826 /nfs/dbraw/zinc/25/58/26/310255826.db2.gz NHYPVFYILVWZQO-OAQYLSRUSA-N 2 2 344.499 3.066 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccncc1 ZINC000453072464 310255942 /nfs/dbraw/zinc/25/59/42/310255942.db2.gz YDHRFVKPJPVNIN-FQEVSTJZSA-N 2 2 325.456 3.155 20 0 EGADLP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094458 310257509 /nfs/dbraw/zinc/25/75/09/310257509.db2.gz PRDZAVYORSNQDX-WMLDXEAASA-N 2 2 334.895 3.483 20 0 EGADLP CC[C@H](C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094458 310257508 /nfs/dbraw/zinc/25/75/08/310257508.db2.gz PRDZAVYORSNQDX-WMLDXEAASA-N 2 2 334.895 3.483 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453261514 310267594 /nfs/dbraw/zinc/26/75/94/310267594.db2.gz RQRCFEXUGAXUOG-HKUYNNGSSA-N 2 2 334.504 3.219 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453261514 310267595 /nfs/dbraw/zinc/26/75/95/310267595.db2.gz RQRCFEXUGAXUOG-HKUYNNGSSA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+]3CCCO)ccc2c1 ZINC000453264765 310268018 /nfs/dbraw/zinc/26/80/18/310268018.db2.gz VXOFOULJFALIOV-OXQOHEQNSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+]3CCCO)ccc2c1 ZINC000453264765 310268019 /nfs/dbraw/zinc/26/80/19/310268019.db2.gz VXOFOULJFALIOV-OXQOHEQNSA-N 2 2 342.483 3.346 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453313314 310270612 /nfs/dbraw/zinc/27/06/12/310270612.db2.gz WHKZVVXXRPBSOV-WIYYLYMNSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccnc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453313314 310270613 /nfs/dbraw/zinc/27/06/13/310270613.db2.gz WHKZVVXXRPBSOV-WIYYLYMNSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cc(Br)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)s1 ZINC000453581510 310282877 /nfs/dbraw/zinc/28/28/77/310282877.db2.gz CUHHHESFBARDHU-JTQLQIEISA-N 2 2 328.279 3.441 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c[nH+]1 ZINC000454506830 310313667 /nfs/dbraw/zinc/31/36/67/310313667.db2.gz VNORPHYCDQPTKP-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(C)[nH+]1 ZINC000455528609 310365243 /nfs/dbraw/zinc/36/52/43/310365243.db2.gz QTHHBQAYQIMOOS-ZDUSSCGKSA-N 2 2 330.476 3.345 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000457614782 310463375 /nfs/dbraw/zinc/46/33/75/310463375.db2.gz MGIFXGNISOUGSK-DLBZAZTESA-N 2 2 349.523 3.164 20 0 EGADLP CCC(CC)[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1CC)[NH+]1CCCC1 ZINC000457634030 310464375 /nfs/dbraw/zinc/46/43/75/310464375.db2.gz ZKXNXOPTUVQMRV-RDJZCZTQSA-N 2 2 349.523 3.164 20 0 EGADLP CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000462365487 310598795 /nfs/dbraw/zinc/59/87/95/310598795.db2.gz LRXBRONQSJDBIG-QUCCMNQESA-N 2 2 346.515 3.456 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)[NH+](C)C)cc1 ZINC000474474256 310794492 /nfs/dbraw/zinc/79/44/92/310794492.db2.gz LCZBIGDAOXSBQN-QLIIJSOBSA-N 2 2 346.515 3.419 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000486937301 311002923 /nfs/dbraw/zinc/00/29/23/311002923.db2.gz HDIRJAHNQGJNOO-INIZCTEOSA-N 2 2 340.895 3.185 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000486937301 311002925 /nfs/dbraw/zinc/00/29/25/311002925.db2.gz HDIRJAHNQGJNOO-INIZCTEOSA-N 2 2 340.895 3.185 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cn2c1 ZINC000487971757 311045415 /nfs/dbraw/zinc/04/54/15/311045415.db2.gz OUDWTAXUEHATQQ-GOSISDBHSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cn2c1 ZINC000487971757 311045416 /nfs/dbraw/zinc/04/54/16/311045416.db2.gz OUDWTAXUEHATQQ-GOSISDBHSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@H]2CCCC[N@H+]2C)C3)cc1 ZINC000487979517 311045641 /nfs/dbraw/zinc/04/56/41/311045641.db2.gz ISVCVGCIKFGPHQ-GOSISDBHSA-N 2 2 338.499 3.413 20 0 EGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[C@H]2CCCC[N@@H+]2C)C3)cc1 ZINC000487979517 311045642 /nfs/dbraw/zinc/04/56/42/311045642.db2.gz ISVCVGCIKFGPHQ-GOSISDBHSA-N 2 2 338.499 3.413 20 0 EGADLP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000488454556 311066531 /nfs/dbraw/zinc/06/65/31/311066531.db2.gz ZFEHONCTVGBGQH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1cncc(OCc2ccccc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000488454556 311066533 /nfs/dbraw/zinc/06/65/33/311066533.db2.gz ZFEHONCTVGBGQH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1cncc(OCc2ccccc2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000488454556 311066535 /nfs/dbraw/zinc/06/65/35/311066535.db2.gz ZFEHONCTVGBGQH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1cncc(OCc2ccccc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000488454556 311066537 /nfs/dbraw/zinc/06/65/37/311066537.db2.gz ZFEHONCTVGBGQH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488521033 311069723 /nfs/dbraw/zinc/06/97/23/311069723.db2.gz XFTSTXFPNYYPFM-CQSZACIVSA-N 2 2 326.419 3.495 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488521033 311069724 /nfs/dbraw/zinc/06/97/24/311069724.db2.gz XFTSTXFPNYYPFM-CQSZACIVSA-N 2 2 326.419 3.495 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000490308340 311138509 /nfs/dbraw/zinc/13/85/09/311138509.db2.gz OVPWVSUHLDMYKQ-DLBZAZTESA-N 2 2 328.500 3.421 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000490308340 311138510 /nfs/dbraw/zinc/13/85/10/311138510.db2.gz OVPWVSUHLDMYKQ-DLBZAZTESA-N 2 2 328.500 3.421 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491064189 311163054 /nfs/dbraw/zinc/16/30/54/311163054.db2.gz XJSRBUNNBKNVJO-IBGZPJMESA-N 2 2 337.552 3.223 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491064189 311163055 /nfs/dbraw/zinc/16/30/55/311163055.db2.gz XJSRBUNNBKNVJO-IBGZPJMESA-N 2 2 337.552 3.223 20 0 EGADLP CCCc1csc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000492150222 311221322 /nfs/dbraw/zinc/22/13/22/311221322.db2.gz IAMQEBIOMUQDNS-MRXNPFEDSA-N 2 2 345.516 3.243 20 0 EGADLP CN(C(=O)/C=C\C1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000492297220 311235260 /nfs/dbraw/zinc/23/52/60/311235260.db2.gz RBLGHWKNVXFOJG-CVLRPEOSSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)/C=C\C1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000492297220 311235261 /nfs/dbraw/zinc/23/52/61/311235261.db2.gz RBLGHWKNVXFOJG-CVLRPEOSSA-N 2 2 347.547 3.138 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000492320380 311237590 /nfs/dbraw/zinc/23/75/90/311237590.db2.gz IDVOEOARULSUID-KTKRTIGZSA-N 2 2 338.455 3.192 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000492320380 311237591 /nfs/dbraw/zinc/23/75/91/311237591.db2.gz IDVOEOARULSUID-KTKRTIGZSA-N 2 2 338.455 3.192 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)NC(=O)OC(C)(C)C ZINC000492328501 311238731 /nfs/dbraw/zinc/23/87/31/311238731.db2.gz MGYHXCNDDVPNAV-CABCVRRESA-N 2 2 344.459 3.436 20 0 EGADLP Cc1nnsc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000492378290 311243531 /nfs/dbraw/zinc/24/35/31/311243531.db2.gz SEMBQIXWKAJGTI-UHFFFAOYSA-N 2 2 336.892 3.254 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787328 311291004 /nfs/dbraw/zinc/29/10/04/311291004.db2.gz CGWPIUWEMOUDLZ-QAPCUYQASA-N 2 2 349.519 3.016 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787328 311291005 /nfs/dbraw/zinc/29/10/05/311291005.db2.gz CGWPIUWEMOUDLZ-QAPCUYQASA-N 2 2 349.519 3.016 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492901358 311304823 /nfs/dbraw/zinc/30/48/23/311304823.db2.gz OWWXLLNKFRNWPS-YDZSZYSISA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492901358 311304824 /nfs/dbraw/zinc/30/48/24/311304824.db2.gz OWWXLLNKFRNWPS-YDZSZYSISA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493517920 311388720 /nfs/dbraw/zinc/38/87/20/311388720.db2.gz HRSBLBHQDQAPNO-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493517920 311388722 /nfs/dbraw/zinc/38/87/22/311388722.db2.gz HRSBLBHQDQAPNO-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCc3ccccc3OC1)C2 ZINC000493937075 311446266 /nfs/dbraw/zinc/44/62/66/311446266.db2.gz NFZYKABEFLVHPM-IRXDYDNUSA-N 2 2 339.483 3.479 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Br)cs1 ZINC000494787238 311511769 /nfs/dbraw/zinc/51/17/69/311511769.db2.gz ILFVXZCNOYZCNA-KOLCDFICSA-N 2 2 326.263 3.373 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)c1cccc(OC)c1 ZINC000507463138 312073370 /nfs/dbraw/zinc/07/33/70/312073370.db2.gz RELRNKPADRLKJU-ILZDJORESA-N 2 2 334.504 3.483 20 0 EGADLP CS[C@@H]1CCCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509007364 312107253 /nfs/dbraw/zinc/10/72/53/312107253.db2.gz GKRJLVQFDKKDRG-HXUWFJFHSA-N 2 2 347.572 3.416 20 0 EGADLP CS[C@@H]1CCCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509007364 312107255 /nfs/dbraw/zinc/10/72/55/312107255.db2.gz GKRJLVQFDKKDRG-HXUWFJFHSA-N 2 2 347.572 3.416 20 0 EGADLP CC(C)[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000509685603 312123313 /nfs/dbraw/zinc/12/33/13/312123313.db2.gz CUAKSURSOGXJFP-FQEVSTJZSA-N 2 2 347.572 3.272 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000509685603 312123316 /nfs/dbraw/zinc/12/33/16/312123316.db2.gz CUAKSURSOGXJFP-FQEVSTJZSA-N 2 2 347.572 3.272 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510736168 312147086 /nfs/dbraw/zinc/14/70/86/312147086.db2.gz QFFGWMDCRLLEOQ-CVEARBPZSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510736168 312147087 /nfs/dbraw/zinc/14/70/87/312147087.db2.gz QFFGWMDCRLLEOQ-CVEARBPZSA-N 2 2 340.458 3.232 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000512066782 312174571 /nfs/dbraw/zinc/17/45/71/312174571.db2.gz IKUXLKOITSQSHE-FQEVSTJZSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000512066782 312174574 /nfs/dbraw/zinc/17/45/74/312174574.db2.gz IKUXLKOITSQSHE-FQEVSTJZSA-N 2 2 340.515 3.291 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105315 312225082 /nfs/dbraw/zinc/22/50/82/312225082.db2.gz QMJBDWBUUPZJFQ-YJBOKZPZSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105315 312225083 /nfs/dbraw/zinc/22/50/83/312225083.db2.gz QMJBDWBUUPZJFQ-YJBOKZPZSA-N 2 2 340.458 3.232 20 0 EGADLP CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000515188011 312270099 /nfs/dbraw/zinc/27/00/99/312270099.db2.gz JQBRHBNZYUDWEZ-UONOGXRCSA-N 2 2 343.393 3.335 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000515344201 312277705 /nfs/dbraw/zinc/27/77/05/312277705.db2.gz BELHOFZYHBVSSA-LSDHHAIUSA-N 2 2 344.421 3.367 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000516774245 312341187 /nfs/dbraw/zinc/34/11/87/312341187.db2.gz JVAHMFOGJZLXPD-MSOLQXFVSA-N 2 2 332.451 3.043 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000516774245 312341189 /nfs/dbraw/zinc/34/11/89/312341189.db2.gz JVAHMFOGJZLXPD-MSOLQXFVSA-N 2 2 332.451 3.043 20 0 EGADLP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000517028853 312359643 /nfs/dbraw/zinc/35/96/43/312359643.db2.gz RMPQFKSJHXXZSK-ZDUSSCGKSA-N 2 2 348.450 3.400 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000517038306 312360373 /nfs/dbraw/zinc/36/03/73/312360373.db2.gz VHKSULGROWCFPT-QGZVFWFLSA-N 2 2 340.471 3.245 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000517038306 312360376 /nfs/dbraw/zinc/36/03/76/312360376.db2.gz VHKSULGROWCFPT-QGZVFWFLSA-N 2 2 340.471 3.245 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000087790519 454088797 /nfs/dbraw/zinc/08/87/97/454088797.db2.gz OHPYZSDANMRLHR-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000087790519 454088799 /nfs/dbraw/zinc/08/87/99/454088799.db2.gz OHPYZSDANMRLHR-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000527650649 312899268 /nfs/dbraw/zinc/89/92/68/312899268.db2.gz RHXVXXVNFPVWMS-UHFFFAOYSA-N 3 2 331.495 3.206 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCc4nc(C5CC5)ncc4C3)c2)c[nH+]1 ZINC000529666572 313381861 /nfs/dbraw/zinc/38/18/61/313381861.db2.gz WLYPUBGZNRPLNI-UHFFFAOYSA-N 2 2 337.452 3.160 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCc4nc(C5CC5)ncc4C3)c2)c[nH+]1 ZINC000529666572 313381864 /nfs/dbraw/zinc/38/18/64/313381864.db2.gz WLYPUBGZNRPLNI-UHFFFAOYSA-N 2 2 337.452 3.160 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@@H]2Cc3ccccc3NC2=O)c2ccccn21 ZINC000529669953 313382681 /nfs/dbraw/zinc/38/26/81/313382681.db2.gz YAOXEFKVVMNULA-MRXNPFEDSA-N 2 2 334.423 3.111 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(Br)cn1)C[NH+]1CCCCC1 ZINC000070396490 454168647 /nfs/dbraw/zinc/16/86/47/454168647.db2.gz CHTWMYNJZAITJG-CYBMUJFWSA-N 2 2 326.282 3.056 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(N2CCCC2=O)c1 ZINC000531939148 313733612 /nfs/dbraw/zinc/73/36/12/313733612.db2.gz AAEIJFLRJUZGDT-MRXNPFEDSA-N 2 2 326.444 3.141 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000532195741 313766665 /nfs/dbraw/zinc/76/66/65/313766665.db2.gz UVWNXFQNHREPNZ-OAHLLOKOSA-N 2 2 341.459 3.298 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863045 314002963 /nfs/dbraw/zinc/00/29/63/314002963.db2.gz UUNNPMRRGXTFHC-SJLPKXTDSA-N 2 2 344.503 3.138 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000535774061 314072435 /nfs/dbraw/zinc/07/24/35/314072435.db2.gz IAZIDWKMHPMVLL-LJQANCHMSA-N 2 2 340.471 3.325 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067109 314092651 /nfs/dbraw/zinc/09/26/51/314092651.db2.gz MEFOXVRPZIWAGQ-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067109 314092654 /nfs/dbraw/zinc/09/26/54/314092654.db2.gz MEFOXVRPZIWAGQ-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000536621876 314132114 /nfs/dbraw/zinc/13/21/14/314132114.db2.gz WULXUGPBCCKVJZ-MRXNPFEDSA-N 2 2 332.492 3.142 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000536621876 314132119 /nfs/dbraw/zinc/13/21/19/314132119.db2.gz WULXUGPBCCKVJZ-MRXNPFEDSA-N 2 2 332.492 3.142 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536835427 314148306 /nfs/dbraw/zinc/14/83/06/314148306.db2.gz YYZLZZUHYDJZND-WTOYTKOKSA-N 2 2 338.495 3.393 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536835427 314148308 /nfs/dbraw/zinc/14/83/08/314148308.db2.gz YYZLZZUHYDJZND-WTOYTKOKSA-N 2 2 338.495 3.393 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000536859843 314150756 /nfs/dbraw/zinc/15/07/56/314150756.db2.gz VTZOYFPYGCLGCI-BLLLJJGKSA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000536859843 314150757 /nfs/dbraw/zinc/15/07/57/314150757.db2.gz VTZOYFPYGCLGCI-BLLLJJGKSA-N 2 2 341.293 3.278 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000536883568 314151880 /nfs/dbraw/zinc/15/18/80/314151880.db2.gz WUEZYGXLHMWNJN-HKBOAZHASA-N 2 2 330.516 3.474 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000536883568 314151883 /nfs/dbraw/zinc/15/18/83/314151883.db2.gz WUEZYGXLHMWNJN-HKBOAZHASA-N 2 2 330.516 3.474 20 0 EGADLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCOCC1 ZINC000539688077 314328912 /nfs/dbraw/zinc/32/89/12/314328912.db2.gz DQOXZOFKYYHQGB-LJQANCHMSA-N 2 2 346.519 3.229 20 0 EGADLP OC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(C(F)(F)F)cc1 ZINC000539855462 314345469 /nfs/dbraw/zinc/34/54/69/314345469.db2.gz WBHNQWFUBWRZTN-OAHLLOKOSA-N 2 2 335.329 3.176 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547654732 314922589 /nfs/dbraw/zinc/92/25/89/314922589.db2.gz OLSZTYALZHUKIQ-HZPDHXFCSA-N 2 2 340.471 3.328 20 0 EGADLP Clc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548622692 315027934 /nfs/dbraw/zinc/02/79/34/315027934.db2.gz BXLHHHJZQRMSBH-HNNXBMFYSA-N 2 2 327.819 3.031 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548860325 315056233 /nfs/dbraw/zinc/05/62/33/315056233.db2.gz YYLPQYDWRMHLFE-JKSUJKDBSA-N 2 2 339.439 3.477 20 0 EGADLP C[NH+](C)CC1(C[NH2+]Cc2conc2Cc2ccccc2)CCCC1 ZINC000550199821 315120152 /nfs/dbraw/zinc/12/01/52/315120152.db2.gz ORBXJCSBXYUTTH-UHFFFAOYSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000551274325 315148004 /nfs/dbraw/zinc/14/80/04/315148004.db2.gz NXOKATRKCXHNAH-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000551274325 315148006 /nfs/dbraw/zinc/14/80/06/315148006.db2.gz NXOKATRKCXHNAH-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1ccccc1C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000551542013 315158038 /nfs/dbraw/zinc/15/80/38/315158038.db2.gz UWXITSSJTHXDOJ-UEXGIBASSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1ccccc1C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000551542013 315158041 /nfs/dbraw/zinc/15/80/41/315158041.db2.gz UWXITSSJTHXDOJ-UEXGIBASSA-N 2 2 330.516 3.405 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612252 315394277 /nfs/dbraw/zinc/39/42/77/315394277.db2.gz WFCKTFCDESQZRU-CTNGQTDRSA-N 3 2 329.532 3.363 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612252 315394278 /nfs/dbraw/zinc/39/42/78/315394278.db2.gz WFCKTFCDESQZRU-CTNGQTDRSA-N 3 2 329.532 3.363 20 0 EGADLP CCc1ccc([C@H](CNC(=O)c2c[nH+]c(C)[nH]2)[NH+](CC)CC)cc1 ZINC000558357683 315561557 /nfs/dbraw/zinc/56/15/57/315561557.db2.gz VMMZZPTYMKCLED-SFHVURJKSA-N 2 2 328.460 3.093 20 0 EGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000563880532 316084619 /nfs/dbraw/zinc/08/46/19/316084619.db2.gz RGXXANGBMPWAJS-LIRRHRJNSA-N 2 2 341.430 3.166 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000564092258 316112624 /nfs/dbraw/zinc/11/26/24/316112624.db2.gz GEYUBGKLNXOREX-SJORKVTESA-N 2 2 333.520 3.352 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465321 316156344 /nfs/dbraw/zinc/15/63/44/316156344.db2.gz KXRZKAWWIFXDHF-FZMZJTMJSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465321 316156349 /nfs/dbraw/zinc/15/63/49/316156349.db2.gz KXRZKAWWIFXDHF-FZMZJTMJSA-N 2 2 349.276 3.151 20 0 EGADLP Fc1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000565230424 316295343 /nfs/dbraw/zinc/29/53/43/316295343.db2.gz RNVDDCPKPUOOCJ-KRWDZBQOSA-N 2 2 340.870 3.208 20 0 EGADLP Fc1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000565230424 316295345 /nfs/dbraw/zinc/29/53/45/316295345.db2.gz RNVDDCPKPUOOCJ-KRWDZBQOSA-N 2 2 340.870 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)ccn12 ZINC000565551579 316339465 /nfs/dbraw/zinc/33/94/65/316339465.db2.gz YDQAPJDITIIDPA-SFHVURJKSA-N 2 2 340.471 3.170 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)ccn12 ZINC000565551579 316339467 /nfs/dbraw/zinc/33/94/67/316339467.db2.gz YDQAPJDITIIDPA-SFHVURJKSA-N 2 2 340.471 3.170 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C3CC3)C3CCC3)c2cc1C ZINC000565874526 316381410 /nfs/dbraw/zinc/38/14/10/316381410.db2.gz KCMMYQPLIQWPLD-YLJYHZDGSA-N 2 2 327.472 3.182 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@H](C)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000567628089 316646095 /nfs/dbraw/zinc/64/60/95/316646095.db2.gz JJCANXBGUWEGSH-KLAILNCOSA-N 2 2 334.508 3.368 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)c2cc1C ZINC000571301114 317181232 /nfs/dbraw/zinc/18/12/32/317181232.db2.gz QYIUTGSQSJFMQP-ZCNNSNEGSA-N 2 2 349.478 3.407 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000572420122 317336363 /nfs/dbraw/zinc/33/63/63/317336363.db2.gz LPVRCMQYBSHPNF-OZOXKJRCSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000572420122 317336367 /nfs/dbraw/zinc/33/63/67/317336367.db2.gz LPVRCMQYBSHPNF-OZOXKJRCSA-N 2 2 343.515 3.236 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000572522792 317351304 /nfs/dbraw/zinc/35/13/04/317351304.db2.gz LLFPQIMTRRSBTL-ZNMIVQPWSA-N 2 2 333.480 3.016 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000572785836 317391856 /nfs/dbraw/zinc/39/18/56/317391856.db2.gz ZPEBXOGTBKLMSI-GOSISDBHSA-N 2 2 343.471 3.177 20 0 EGADLP COc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(F)c1 ZINC000572887831 317406219 /nfs/dbraw/zinc/40/62/19/317406219.db2.gz WZYKHNNZVJVWJM-UHFFFAOYSA-N 2 2 339.414 3.411 20 0 EGADLP Brc1cccc(-c2c[nH]c(C[NH2+]CC[C@H]3CCC[NH2+]3)n2)c1 ZINC000574663226 317624118 /nfs/dbraw/zinc/62/41/18/317624118.db2.gz MUQOFMJBQURYRS-CQSZACIVSA-N 2 2 349.276 3.071 20 0 EGADLP Fc1cccc(OCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272611404 456014018 /nfs/dbraw/zinc/01/40/18/456014018.db2.gz WHPNDLPDKAOISW-UHFFFAOYSA-N 2 2 334.357 3.211 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000172400457 323280746 /nfs/dbraw/zinc/28/07/46/323280746.db2.gz YEJQBIPYMJNWDL-IBGZPJMESA-N 2 2 340.471 3.001 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000172400457 323280748 /nfs/dbraw/zinc/28/07/48/323280748.db2.gz YEJQBIPYMJNWDL-IBGZPJMESA-N 2 2 340.471 3.001 20 0 EGADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000174764835 323310760 /nfs/dbraw/zinc/31/07/60/323310760.db2.gz HLNKQJNINMNBEG-UHFFFAOYSA-N 2 2 348.450 3.014 20 0 EGADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000174764835 323310764 /nfs/dbraw/zinc/31/07/64/323310764.db2.gz HLNKQJNINMNBEG-UHFFFAOYSA-N 2 2 348.450 3.014 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182517105 323557122 /nfs/dbraw/zinc/55/71/22/323557122.db2.gz RKSSYGAAMFXKAW-RDTXWAMCSA-N 2 2 326.431 3.364 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000349249981 324001215 /nfs/dbraw/zinc/00/12/15/324001215.db2.gz WZAITOFIMMENPV-NEWSRXKRSA-N 2 2 343.515 3.076 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000349249981 324001220 /nfs/dbraw/zinc/00/12/20/324001220.db2.gz WZAITOFIMMENPV-NEWSRXKRSA-N 2 2 343.515 3.076 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCc1noc(C23CCC[NH+]2CCC3)n1 ZINC000351203801 324194974 /nfs/dbraw/zinc/19/49/74/324194974.db2.gz IGLYGBZJDAABRH-UHFFFAOYSA-N 2 2 337.427 3.055 20 0 EGADLP C[C@H]1C[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000379672585 324239944 /nfs/dbraw/zinc/23/99/44/324239944.db2.gz NREYSAKZNBCXSD-FUHWJXTLSA-N 2 2 334.467 3.460 20 0 EGADLP C[C@H]1C[C@H](Nc2[nH+]c3ccccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000379672585 324239949 /nfs/dbraw/zinc/23/99/49/324239949.db2.gz NREYSAKZNBCXSD-FUHWJXTLSA-N 2 2 334.467 3.460 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000382067417 324248971 /nfs/dbraw/zinc/24/89/71/324248971.db2.gz RGJHMHFDBJYNHD-INIZCTEOSA-N 2 2 327.513 3.001 20 0 EGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000575115184 324418994 /nfs/dbraw/zinc/41/89/94/324418994.db2.gz IHSKSKGQNKMNDD-JXFKEZNVSA-N 2 2 347.466 3.022 20 0 EGADLP COc1ccc([C@@H](CNCc2[nH]c(C)c(C)[nH+]2)[NH+]2CCCCC2)cc1 ZINC000581737340 325387795 /nfs/dbraw/zinc/38/77/95/325387795.db2.gz DVBJUNMZZQMPJF-LJQANCHMSA-N 2 2 342.487 3.352 20 0 EGADLP CC(=O)N(c1nc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cs1)c1ccc(C)cc1 ZINC000583440562 325524765 /nfs/dbraw/zinc/52/47/65/325524765.db2.gz KUMPXRRYDXWURJ-ZIAGYGMSSA-N 2 2 346.500 3.352 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157693499 455221621 /nfs/dbraw/zinc/22/16/21/455221621.db2.gz QBODZYOQQFVMSX-ICSRJNTNSA-N 2 2 326.488 3.397 20 0 EGADLP Cn1cc([C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000180716473 455232731 /nfs/dbraw/zinc/23/27/31/455232731.db2.gz JBEYWMAYBHFQRW-CEXWTWQISA-N 2 2 330.451 3.111 20 0 EGADLP CC(C)Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000183200886 455250289 /nfs/dbraw/zinc/25/02/89/455250289.db2.gz PZHHWHQNDTUXSU-IBGZPJMESA-N 2 2 332.536 3.483 20 0 EGADLP CC(C)Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000183200886 455250292 /nfs/dbraw/zinc/25/02/92/455250292.db2.gz PZHHWHQNDTUXSU-IBGZPJMESA-N 2 2 332.536 3.483 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655394 459686501 /nfs/dbraw/zinc/68/65/01/459686501.db2.gz DIDNTHBUGNIWFV-SKDRFNHKSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655394 459686507 /nfs/dbraw/zinc/68/65/07/459686507.db2.gz DIDNTHBUGNIWFV-SKDRFNHKSA-N 2 2 333.220 3.157 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447811 455304083 /nfs/dbraw/zinc/30/40/83/455304083.db2.gz MJVPFKJXEBOFSA-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245447811 455304085 /nfs/dbraw/zinc/30/40/85/455304085.db2.gz MJVPFKJXEBOFSA-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631820660 460572966 /nfs/dbraw/zinc/57/29/66/460572966.db2.gz CHMIFDVHFUCFBN-NSHDSACASA-N 2 2 325.334 3.141 20 0 EGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631820660 460572971 /nfs/dbraw/zinc/57/29/71/460572971.db2.gz CHMIFDVHFUCFBN-NSHDSACASA-N 2 2 325.334 3.141 20 0 EGADLP FC(F)(F)c1ccccc1-c1nc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)co1 ZINC000631825752 460575358 /nfs/dbraw/zinc/57/53/58/460575358.db2.gz SKKKXHYCLNQNHG-TXEJJXNPSA-N 2 2 337.345 3.012 20 0 EGADLP FC(F)(F)c1ccccc1-c1nc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)co1 ZINC000631825752 460575364 /nfs/dbraw/zinc/57/53/64/460575364.db2.gz SKKKXHYCLNQNHG-TXEJJXNPSA-N 2 2 337.345 3.012 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000245578572 455333533 /nfs/dbraw/zinc/33/35/33/455333533.db2.gz IFJGYOACTYKONB-HHXXYDBFSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000245578572 455333538 /nfs/dbraw/zinc/33/35/38/455333538.db2.gz IFJGYOACTYKONB-HHXXYDBFSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158895714 455336033 /nfs/dbraw/zinc/33/60/33/455336033.db2.gz RUCJUQJLXXIQFS-DLBZAZTESA-N 2 2 330.472 3.485 20 0 EGADLP COC(=O)CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000616759495 460615662 /nfs/dbraw/zinc/61/56/62/460615662.db2.gz ZNUPTQVKNQZQGM-UHFFFAOYSA-N 2 2 341.455 3.346 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC1CC1 ZINC000623561521 460612998 /nfs/dbraw/zinc/61/29/98/460612998.db2.gz PSWAZIJOLHIPRL-QZTJIDSGSA-N 2 2 330.472 3.343 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC1CC1 ZINC000623561521 460613006 /nfs/dbraw/zinc/61/30/06/460613006.db2.gz PSWAZIJOLHIPRL-QZTJIDSGSA-N 2 2 330.472 3.343 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075834507 453929717 /nfs/dbraw/zinc/92/97/17/453929717.db2.gz UFEPQNJNVDSXIT-LJQANCHMSA-N 2 2 343.515 3.236 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075834507 453929718 /nfs/dbraw/zinc/92/97/18/453929718.db2.gz UFEPQNJNVDSXIT-LJQANCHMSA-N 2 2 343.515 3.236 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000075860526 453932179 /nfs/dbraw/zinc/93/21/79/453932179.db2.gz PWZMPQCMIISRRO-ROUUACIJSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000075860526 453932182 /nfs/dbraw/zinc/93/21/82/453932182.db2.gz PWZMPQCMIISRRO-ROUUACIJSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000075860526 453932183 /nfs/dbraw/zinc/93/21/83/453932183.db2.gz PWZMPQCMIISRRO-ROUUACIJSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000075860526 453932188 /nfs/dbraw/zinc/93/21/88/453932188.db2.gz PWZMPQCMIISRRO-ROUUACIJSA-N 2 2 331.504 3.234 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861525 453933171 /nfs/dbraw/zinc/93/31/71/453933171.db2.gz PIKWJPMUZNMXOD-SJORKVTESA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861525 453933174 /nfs/dbraw/zinc/93/31/74/453933174.db2.gz PIKWJPMUZNMXOD-SJORKVTESA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861525 453933176 /nfs/dbraw/zinc/93/31/76/453933176.db2.gz PIKWJPMUZNMXOD-SJORKVTESA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861525 453933180 /nfs/dbraw/zinc/93/31/80/453933180.db2.gz PIKWJPMUZNMXOD-SJORKVTESA-N 2 2 347.503 3.219 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000076003054 453948029 /nfs/dbraw/zinc/94/80/29/453948029.db2.gz XSSJLBGWOHWWHI-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000076003054 453948032 /nfs/dbraw/zinc/94/80/32/453948032.db2.gz XSSJLBGWOHWWHI-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC(C)[N@H+](C)CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000076070449 453957917 /nfs/dbraw/zinc/95/79/17/453957917.db2.gz CXHVHAXIDDSVEL-UHFFFAOYSA-N 2 2 328.416 3.336 20 0 EGADLP CC(C)[N@@H+](C)CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000076070449 453957919 /nfs/dbraw/zinc/95/79/19/453957919.db2.gz CXHVHAXIDDSVEL-UHFFFAOYSA-N 2 2 328.416 3.336 20 0 EGADLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1O ZINC000076272030 453984809 /nfs/dbraw/zinc/98/48/09/453984809.db2.gz YKUCYLSLMVVNAH-UHFFFAOYSA-N 2 2 325.412 3.010 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(F)c1F ZINC000245919573 455399775 /nfs/dbraw/zinc/39/97/75/455399775.db2.gz QOPLJQHWVYWWFF-MORSLUCNSA-N 2 2 338.442 3.383 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000057154520 454107544 /nfs/dbraw/zinc/10/75/44/454107544.db2.gz SGRLCIGJSVQOHG-HXUWFJFHSA-N 2 2 346.434 3.475 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057154520 454107549 /nfs/dbraw/zinc/10/75/49/454107549.db2.gz SGRLCIGJSVQOHG-HXUWFJFHSA-N 2 2 346.434 3.475 20 0 EGADLP CCCc1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844156 454151013 /nfs/dbraw/zinc/15/10/13/454151013.db2.gz PRIRTRHSTDXWJQ-UHFFFAOYSA-N 2 2 342.487 3.366 20 0 EGADLP CCCc1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844156 454151018 /nfs/dbraw/zinc/15/10/18/454151018.db2.gz PRIRTRHSTDXWJQ-UHFFFAOYSA-N 2 2 342.487 3.366 20 0 EGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858711 454153198 /nfs/dbraw/zinc/15/31/98/454153198.db2.gz XHXUTAQEUIVLBG-MRXNPFEDSA-N 2 2 342.405 3.250 20 0 EGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858711 454153201 /nfs/dbraw/zinc/15/32/01/454153201.db2.gz XHXUTAQEUIVLBG-MRXNPFEDSA-N 2 2 342.405 3.250 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000089505675 454156257 /nfs/dbraw/zinc/15/62/57/454156257.db2.gz RPKSUSDIWWYLEW-ZKIDJSGLSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C[N@H+]1Cc1ccccc1 ZINC000089505675 454156260 /nfs/dbraw/zinc/15/62/60/454156260.db2.gz RPKSUSDIWWYLEW-ZKIDJSGLSA-N 2 2 326.484 3.197 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000130355706 454191517 /nfs/dbraw/zinc/19/15/17/454191517.db2.gz NPGWLNYNBBVQBG-HNNXBMFYSA-N 2 2 339.443 3.248 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000130355706 454191523 /nfs/dbraw/zinc/19/15/23/454191523.db2.gz NPGWLNYNBBVQBG-HNNXBMFYSA-N 2 2 339.443 3.248 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000095965283 454241402 /nfs/dbraw/zinc/24/14/02/454241402.db2.gz RVPABUUSFIRGIK-UHFFFAOYSA-N 2 2 342.487 3.280 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000090048312 454266405 /nfs/dbraw/zinc/26/64/05/454266405.db2.gz ZNJVGVGXDUOUPD-UZLBHIALSA-N 2 2 344.499 3.089 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090047697 454266688 /nfs/dbraw/zinc/26/66/88/454266688.db2.gz ADNWYTDDSWAAKT-KBPBESRZSA-N 2 2 330.394 3.467 20 0 EGADLP Brc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131869047 454292909 /nfs/dbraw/zinc/29/29/09/454292909.db2.gz IBZXQCNFRYHZBH-INIZCTEOSA-N 2 2 333.229 3.497 20 0 EGADLP Brc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131869047 454292913 /nfs/dbraw/zinc/29/29/13/454292913.db2.gz IBZXQCNFRYHZBH-INIZCTEOSA-N 2 2 333.229 3.497 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]CCn3c(C)[nH+]c4ccccc43)c(C)n2n1 ZINC000120656938 454330680 /nfs/dbraw/zinc/33/06/80/454330680.db2.gz WFAFMZQXMBWICF-CQSZACIVSA-N 2 2 348.454 3.355 20 0 EGADLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)on1 ZINC000120661113 454331731 /nfs/dbraw/zinc/33/17/31/454331731.db2.gz DBIRCAKQRCUMIH-UHFFFAOYSA-N 2 2 340.402 3.301 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097016594 454387498 /nfs/dbraw/zinc/38/74/98/454387498.db2.gz HXLRWFZQCRJDBI-LIRRHRJNSA-N 2 2 325.387 3.396 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)cn1 ZINC000091288657 454423040 /nfs/dbraw/zinc/42/30/40/454423040.db2.gz IKRUWAPANZVAOK-CQSZACIVSA-N 2 2 346.438 3.313 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000121347935 454423983 /nfs/dbraw/zinc/42/39/83/454423983.db2.gz HLFORMGHBZBBIH-OAHLLOKOSA-N 2 2 338.455 3.360 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336990 454429112 /nfs/dbraw/zinc/42/91/12/454429112.db2.gz UOSZMVDPJRSKOW-IAGOWNOFSA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336990 454429114 /nfs/dbraw/zinc/42/91/14/454429114.db2.gz UOSZMVDPJRSKOW-IAGOWNOFSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143743 454461802 /nfs/dbraw/zinc/46/18/02/454461802.db2.gz KCERRWFGRPHVFM-QAPCUYQASA-N 2 2 344.886 3.410 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143743 454461807 /nfs/dbraw/zinc/46/18/07/454461807.db2.gz KCERRWFGRPHVFM-QAPCUYQASA-N 2 2 344.886 3.410 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]CC3=Cc4ccccc4OC3)c2)c[nH+]1 ZINC000102421553 454504198 /nfs/dbraw/zinc/50/41/98/454504198.db2.gz ATAAKBGLRSZLJR-UHFFFAOYSA-N 2 2 331.419 3.497 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092072786 454515299 /nfs/dbraw/zinc/51/52/99/454515299.db2.gz JARQUNCLSCQLLD-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092072786 454515303 /nfs/dbraw/zinc/51/53/03/454515303.db2.gz JARQUNCLSCQLLD-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000122439564 454533169 /nfs/dbraw/zinc/53/31/69/454533169.db2.gz UKNNEVFVPUZMBM-ICSRJNTNSA-N 2 2 345.531 3.479 20 0 EGADLP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000122439564 454533175 /nfs/dbraw/zinc/53/31/75/454533175.db2.gz UKNNEVFVPUZMBM-ICSRJNTNSA-N 2 2 345.531 3.479 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253343 454541998 /nfs/dbraw/zinc/54/19/98/454541998.db2.gz DETPOGLUXCOFPD-HXUWFJFHSA-N 2 2 340.515 3.322 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253343 454542002 /nfs/dbraw/zinc/54/20/02/454542002.db2.gz DETPOGLUXCOFPD-HXUWFJFHSA-N 2 2 340.515 3.322 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253343 454542005 /nfs/dbraw/zinc/54/20/05/454542005.db2.gz DETPOGLUXCOFPD-HXUWFJFHSA-N 2 2 340.515 3.322 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253343 454542009 /nfs/dbraw/zinc/54/20/09/454542009.db2.gz DETPOGLUXCOFPD-HXUWFJFHSA-N 2 2 340.515 3.322 20 0 EGADLP CS[C@H]1CCCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000134546305 454558554 /nfs/dbraw/zinc/55/85/54/454558554.db2.gz AXDXGQMXTKRTIC-SJORKVTESA-N 2 2 347.528 3.232 20 0 EGADLP CS[C@H]1CCCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000134546305 454558562 /nfs/dbraw/zinc/55/85/62/454558562.db2.gz AXDXGQMXTKRTIC-SJORKVTESA-N 2 2 347.528 3.232 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246637 455456207 /nfs/dbraw/zinc/45/62/07/455456207.db2.gz VSKBRINNVMVOMF-HOTGVXAUSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246637 455456209 /nfs/dbraw/zinc/45/62/09/455456209.db2.gz VSKBRINNVMVOMF-HOTGVXAUSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246635 455456974 /nfs/dbraw/zinc/45/69/74/455456974.db2.gz VSKBRINNVMVOMF-CVEARBPZSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246246635 455456976 /nfs/dbraw/zinc/45/69/76/455456976.db2.gz VSKBRINNVMVOMF-CVEARBPZSA-N 2 2 326.444 3.215 20 0 EGADLP Nc1ccc(-c2cccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)n2)cc1 ZINC000634990795 460642691 /nfs/dbraw/zinc/64/26/91/460642691.db2.gz CQXUAGVWVNMCGX-UHFFFAOYSA-N 2 2 336.483 3.295 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000123092709 454602197 /nfs/dbraw/zinc/60/21/97/454602197.db2.gz AXYPZCCJISBACJ-VQTJNVASSA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000123092709 454602203 /nfs/dbraw/zinc/60/22/03/454602203.db2.gz AXYPZCCJISBACJ-VQTJNVASSA-N 2 2 326.488 3.298 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000104875768 454609428 /nfs/dbraw/zinc/60/94/28/454609428.db2.gz GWWGACKYALXZAS-LJQANCHMSA-N 2 2 340.471 3.130 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134947175 454615065 /nfs/dbraw/zinc/61/50/65/454615065.db2.gz YTUPJDOUANBUOP-PBHICJAKSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134947175 454615071 /nfs/dbraw/zinc/61/50/71/454615071.db2.gz YTUPJDOUANBUOP-PBHICJAKSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134947175 454615077 /nfs/dbraw/zinc/61/50/77/454615077.db2.gz YTUPJDOUANBUOP-PBHICJAKSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134947175 454615083 /nfs/dbraw/zinc/61/50/83/454615083.db2.gz YTUPJDOUANBUOP-PBHICJAKSA-N 2 2 346.471 3.077 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nccs2)CC1 ZINC000105464627 454638993 /nfs/dbraw/zinc/63/89/93/454638993.db2.gz LOMFCJGPARJWKV-CQSZACIVSA-N 2 2 348.491 3.275 20 0 EGADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003663 454646508 /nfs/dbraw/zinc/64/65/08/454646508.db2.gz JHPGPKJYGLZAGF-OKZBNKHCSA-N 2 2 335.536 3.115 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000123522037 454647491 /nfs/dbraw/zinc/64/74/91/454647491.db2.gz BCHKDJXDUPRWLU-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP CC1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000106531715 454699644 /nfs/dbraw/zinc/69/96/44/454699644.db2.gz QXZWCLLTLCXJGW-KRWDZBQOSA-N 2 2 347.507 3.158 20 0 EGADLP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000093281681 454699674 /nfs/dbraw/zinc/69/96/74/454699674.db2.gz SVYVAAGZJVRAEY-QGZVFWFLSA-N 2 2 341.455 3.284 20 0 EGADLP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000093281681 454699678 /nfs/dbraw/zinc/69/96/78/454699678.db2.gz SVYVAAGZJVRAEY-QGZVFWFLSA-N 2 2 341.455 3.284 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CO)o2)CC[N@@H+]1Cc1ccccc1 ZINC000093318334 454703099 /nfs/dbraw/zinc/70/30/99/454703099.db2.gz XHPHHPNACRYWHN-AEFFLSMTSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(CO)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318334 454703101 /nfs/dbraw/zinc/70/31/01/454703101.db2.gz XHPHHPNACRYWHN-AEFFLSMTSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318334 454703103 /nfs/dbraw/zinc/70/31/03/454703103.db2.gz XHPHHPNACRYWHN-AEFFLSMTSA-N 2 2 328.456 3.257 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CO)o2)CC[NH+]1Cc1ccccc1 ZINC000093318334 454703104 /nfs/dbraw/zinc/70/31/04/454703104.db2.gz XHPHHPNACRYWHN-AEFFLSMTSA-N 2 2 328.456 3.257 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277537 454721722 /nfs/dbraw/zinc/72/17/22/454721722.db2.gz DSZGGNWTDJOVRB-YOEHRIQHSA-N 2 2 344.421 3.403 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277537 454721727 /nfs/dbraw/zinc/72/17/27/454721727.db2.gz DSZGGNWTDJOVRB-YOEHRIQHSA-N 2 2 344.421 3.403 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277537 454721731 /nfs/dbraw/zinc/72/17/31/454721731.db2.gz DSZGGNWTDJOVRB-YOEHRIQHSA-N 2 2 344.421 3.403 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000176277537 454721733 /nfs/dbraw/zinc/72/17/33/454721733.db2.gz DSZGGNWTDJOVRB-YOEHRIQHSA-N 2 2 344.421 3.403 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000136160611 454725785 /nfs/dbraw/zinc/72/57/85/454725785.db2.gz PMRRBPNASLDFLQ-VAWYXSNFSA-N 2 2 340.471 3.074 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922513 454731027 /nfs/dbraw/zinc/73/10/27/454731027.db2.gz KDVCYJHABYDAIQ-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922513 454731032 /nfs/dbraw/zinc/73/10/32/454731032.db2.gz KDVCYJHABYDAIQ-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922513 454731035 /nfs/dbraw/zinc/73/10/35/454731035.db2.gz KDVCYJHABYDAIQ-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106922513 454731039 /nfs/dbraw/zinc/73/10/39/454731039.db2.gz KDVCYJHABYDAIQ-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC([NH2+]C(C)C)CC3)cc(=O)oc2c1C ZINC000108367825 454794838 /nfs/dbraw/zinc/79/48/38/454794838.db2.gz JTRLGMPDESFBSJ-UHFFFAOYSA-N 2 2 328.456 3.372 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000162806543 454802235 /nfs/dbraw/zinc/80/22/35/454802235.db2.gz JVYWJPZWUMOLHU-UHFFFAOYSA-N 2 2 339.487 3.154 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000108931247 454817428 /nfs/dbraw/zinc/81/74/28/454817428.db2.gz GRDVYXIGVYYOFP-DLBZAZTESA-N 2 2 347.507 3.301 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000108931247 454817431 /nfs/dbraw/zinc/81/74/31/454817431.db2.gz GRDVYXIGVYYOFP-DLBZAZTESA-N 2 2 347.507 3.301 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000125488960 454825593 /nfs/dbraw/zinc/82/55/93/454825593.db2.gz BWAAUNICUYTSJW-VQTJNVASSA-N 2 2 334.467 3.262 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125532904 454830088 /nfs/dbraw/zinc/83/00/88/454830088.db2.gz CFFUVWVITINOTC-OAHLLOKOSA-N 2 2 348.441 3.151 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125532904 454830095 /nfs/dbraw/zinc/83/00/95/454830095.db2.gz CFFUVWVITINOTC-OAHLLOKOSA-N 2 2 348.441 3.151 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796618 454837379 /nfs/dbraw/zinc/83/73/79/454837379.db2.gz IBJQISOBYGWNGI-MRXNPFEDSA-N 2 2 326.444 3.164 20 0 EGADLP CCc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc(=O)oc2c1 ZINC000109792794 454837531 /nfs/dbraw/zinc/83/75/31/454837531.db2.gz PWDACFHNTSPTKD-UHFFFAOYSA-N 2 2 337.423 3.389 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000177232617 454840462 /nfs/dbraw/zinc/84/04/62/454840462.db2.gz GEHFMXXGLJONSH-UHFFFAOYSA-N 2 2 341.430 3.262 20 0 EGADLP COc1cccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000177228421 454840603 /nfs/dbraw/zinc/84/06/03/454840603.db2.gz PUEMTYWEROIMNH-KRWDZBQOSA-N 2 2 340.467 3.378 20 0 EGADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000153858413 454840834 /nfs/dbraw/zinc/84/08/34/454840834.db2.gz WTEJWDCWHZBICS-IBGZPJMESA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000153858413 454840837 /nfs/dbraw/zinc/84/08/37/454840837.db2.gz WTEJWDCWHZBICS-IBGZPJMESA-N 2 2 339.439 3.286 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCCNc1cccc[nH+]1)O[C@@H](C)C2 ZINC000112675410 454895515 /nfs/dbraw/zinc/89/55/15/454895515.db2.gz XBQMDTORMOLIBA-HNNXBMFYSA-N 2 2 341.455 3.396 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1F ZINC000126644097 454908112 /nfs/dbraw/zinc/90/81/12/454908112.db2.gz JWNRCQUCKYTCOR-KRWDZBQOSA-N 2 2 341.474 3.424 20 0 EGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177822513 454910366 /nfs/dbraw/zinc/91/03/66/454910366.db2.gz NUGHXBZYXMBDAA-KRWDZBQOSA-N 2 2 327.428 3.178 20 0 EGADLP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000177822513 454910370 /nfs/dbraw/zinc/91/03/70/454910370.db2.gz NUGHXBZYXMBDAA-KRWDZBQOSA-N 2 2 327.428 3.178 20 0 EGADLP COc1ncccc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000151144805 454943638 /nfs/dbraw/zinc/94/36/38/454943638.db2.gz JXWKYLASGLETSS-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000178330716 454948422 /nfs/dbraw/zinc/94/84/22/454948422.db2.gz NCYYBIIMQFIMTI-CABCVRRESA-N 2 2 337.533 3.029 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)CCC2 ZINC000178330716 454948424 /nfs/dbraw/zinc/94/84/24/454948424.db2.gz NCYYBIIMQFIMTI-CABCVRRESA-N 2 2 337.533 3.029 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000127334765 454954848 /nfs/dbraw/zinc/95/48/48/454954848.db2.gz IEVNRQDBZBKCEJ-QGZVFWFLSA-N 2 2 337.826 3.448 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000127334765 454954849 /nfs/dbraw/zinc/95/48/49/454954849.db2.gz IEVNRQDBZBKCEJ-QGZVFWFLSA-N 2 2 337.826 3.448 20 0 EGADLP C[N@@H+]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000114675539 454968674 /nfs/dbraw/zinc/96/86/74/454968674.db2.gz JZAONOGVFWNHTC-UHFFFAOYSA-N 2 2 345.830 3.305 20 0 EGADLP C[N@H+]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000114675539 454968677 /nfs/dbraw/zinc/96/86/77/454968677.db2.gz JZAONOGVFWNHTC-UHFFFAOYSA-N 2 2 345.830 3.305 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)n1-c1ccccc1 ZINC000151333457 454970267 /nfs/dbraw/zinc/97/02/67/454970267.db2.gz KUGVVHHHNJLHQH-LPHOPBHVSA-N 2 2 343.496 3.325 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1OC ZINC000151358777 454973915 /nfs/dbraw/zinc/97/39/15/454973915.db2.gz YXPNTCRPXFQMTF-QGZVFWFLSA-N 2 2 340.895 3.236 20 0 EGADLP C[C@@H]([NH3+])C1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000178806998 454979139 /nfs/dbraw/zinc/97/91/39/454979139.db2.gz SISFJTKYXQXKMU-CQSZACIVSA-N 2 2 325.412 3.073 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000178820255 454981308 /nfs/dbraw/zinc/98/13/08/454981308.db2.gz GGHQKKLHHVIHDM-UHFFFAOYSA-N 2 2 334.423 3.491 20 0 EGADLP Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000115376123 455013323 /nfs/dbraw/zinc/01/33/23/455013323.db2.gz GAXJDCSDGWTVRU-INIZCTEOSA-N 2 2 339.439 3.254 20 0 EGADLP Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000115376123 455013325 /nfs/dbraw/zinc/01/33/25/455013325.db2.gz GAXJDCSDGWTVRU-INIZCTEOSA-N 2 2 339.439 3.254 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccnc(-n4cc[nH+]c4)c3)c2C1 ZINC000171028270 455017392 /nfs/dbraw/zinc/01/73/92/455017392.db2.gz QTSHACOKYHUQBI-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)c3ccnc(-n4cc[nH+]c4)c3)c2C1 ZINC000171028270 455017396 /nfs/dbraw/zinc/01/73/96/455017396.db2.gz QTSHACOKYHUQBI-UHFFFAOYSA-N 2 2 347.422 3.245 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171126858 455033293 /nfs/dbraw/zinc/03/32/93/455033293.db2.gz JDGHGOUZROOHNG-AWEZNQCLSA-N 2 2 330.432 3.048 20 0 EGADLP Clc1cc(CC[NH2+]Cc2cccc3[nH+]ccn32)cc2c1OCCO2 ZINC000179416059 455046784 /nfs/dbraw/zinc/04/67/84/455046784.db2.gz QIGCLKOCSJLROH-UHFFFAOYSA-N 2 2 343.814 3.091 20 0 EGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000116396213 455054816 /nfs/dbraw/zinc/05/48/16/455054816.db2.gz CTMULTASWCEWGG-OCCSQVGLSA-N 2 2 340.899 3.018 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000155954785 455065893 /nfs/dbraw/zinc/06/58/93/455065893.db2.gz UWDSWYKXTUDAHC-HOCLYGCPSA-N 2 2 336.549 3.130 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000155954785 455065897 /nfs/dbraw/zinc/06/58/97/455065897.db2.gz UWDSWYKXTUDAHC-HOCLYGCPSA-N 2 2 336.549 3.130 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156339657 455106760 /nfs/dbraw/zinc/10/67/60/455106760.db2.gz HKIHMMSNLWFOGM-INIZCTEOSA-N 2 2 333.229 3.497 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156339657 455106763 /nfs/dbraw/zinc/10/67/63/455106763.db2.gz HKIHMMSNLWFOGM-INIZCTEOSA-N 2 2 333.229 3.497 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152370697 455108739 /nfs/dbraw/zinc/10/87/39/455108739.db2.gz FVBKTFVNWANHJA-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152370697 455108741 /nfs/dbraw/zinc/10/87/41/455108741.db2.gz FVBKTFVNWANHJA-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152370697 455108743 /nfs/dbraw/zinc/10/87/43/455108743.db2.gz FVBKTFVNWANHJA-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152370697 455108744 /nfs/dbraw/zinc/10/87/44/455108744.db2.gz FVBKTFVNWANHJA-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000152425436 455118295 /nfs/dbraw/zinc/11/82/95/455118295.db2.gz RFKVFCBEKTZFIY-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000152425436 455118296 /nfs/dbraw/zinc/11/82/96/455118296.db2.gz RFKVFCBEKTZFIY-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000152425436 455118299 /nfs/dbraw/zinc/11/82/99/455118299.db2.gz RFKVFCBEKTZFIY-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000152425436 455118300 /nfs/dbraw/zinc/11/83/00/455118300.db2.gz RFKVFCBEKTZFIY-QZTJIDSGSA-N 2 2 331.504 3.212 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000623657150 460665244 /nfs/dbraw/zinc/66/52/44/460665244.db2.gz KMYSKIQLGSXMMA-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000623657150 460665248 /nfs/dbraw/zinc/66/52/48/460665248.db2.gz KMYSKIQLGSXMMA-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000237445803 455184976 /nfs/dbraw/zinc/18/49/76/455184976.db2.gz GELHWZQQAOQZJN-YLJYHZDGSA-N 2 2 337.467 3.440 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000237445803 455184981 /nfs/dbraw/zinc/18/49/81/455184981.db2.gz GELHWZQQAOQZJN-YLJYHZDGSA-N 2 2 337.467 3.440 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415695 455291936 /nfs/dbraw/zinc/29/19/36/455291936.db2.gz DMHXBIAJOSSFQV-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415695 455291939 /nfs/dbraw/zinc/29/19/39/455291939.db2.gz DMHXBIAJOSSFQV-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415695 455291942 /nfs/dbraw/zinc/29/19/42/455291942.db2.gz DMHXBIAJOSSFQV-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000245415695 455291944 /nfs/dbraw/zinc/29/19/44/455291944.db2.gz DMHXBIAJOSSFQV-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000157537405 455204913 /nfs/dbraw/zinc/20/49/13/455204913.db2.gz YFBNIQZTEGQAPW-PXNSSMCTSA-N 2 2 326.488 3.088 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000157537405 455204915 /nfs/dbraw/zinc/20/49/15/455204915.db2.gz YFBNIQZTEGQAPW-PXNSSMCTSA-N 2 2 326.488 3.088 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347390 455281392 /nfs/dbraw/zinc/28/13/92/455281392.db2.gz MPYCEWBULTUGEG-FOIQADDNSA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347390 455281398 /nfs/dbraw/zinc/28/13/98/455281398.db2.gz MPYCEWBULTUGEG-FOIQADDNSA-N 2 2 325.431 3.384 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190306043 455296302 /nfs/dbraw/zinc/29/63/02/455296302.db2.gz WCIDGGZAENMLKT-UHFFFAOYSA-N 2 2 345.397 3.178 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190306043 455296305 /nfs/dbraw/zinc/29/63/05/455296305.db2.gz WCIDGGZAENMLKT-UHFFFAOYSA-N 2 2 345.397 3.178 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442825 455301238 /nfs/dbraw/zinc/30/12/38/455301238.db2.gz WQKBPUVPRBJJKW-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442825 455301241 /nfs/dbraw/zinc/30/12/41/455301241.db2.gz WQKBPUVPRBJJKW-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442825 455301243 /nfs/dbraw/zinc/30/12/43/455301243.db2.gz WQKBPUVPRBJJKW-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245442825 455301245 /nfs/dbraw/zinc/30/12/45/455301245.db2.gz WQKBPUVPRBJJKW-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245466158 455308017 /nfs/dbraw/zinc/30/80/17/455308017.db2.gz YWADARVUUKAXGV-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245466158 455308021 /nfs/dbraw/zinc/30/80/21/455308021.db2.gz YWADARVUUKAXGV-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245466158 455308024 /nfs/dbraw/zinc/30/80/24/455308024.db2.gz YWADARVUUKAXGV-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245466158 455308028 /nfs/dbraw/zinc/30/80/28/455308028.db2.gz YWADARVUUKAXGV-IEBWSBKVSA-N 2 2 345.531 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)n1 ZINC000245483908 455312522 /nfs/dbraw/zinc/31/25/22/455312522.db2.gz GISQXMQZGWRROW-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)n1 ZINC000245483908 455312526 /nfs/dbraw/zinc/31/25/26/455312526.db2.gz GISQXMQZGWRROW-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000245483908 455312530 /nfs/dbraw/zinc/31/25/30/455312530.db2.gz GISQXMQZGWRROW-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000245483908 455312537 /nfs/dbraw/zinc/31/25/37/455312537.db2.gz GISQXMQZGWRROW-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+][C@H]2CCCc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000245583139 455335357 /nfs/dbraw/zinc/33/53/57/455335357.db2.gz IDBGOLIHWICPQM-SJBKTWHCSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+][C@H]2CCCc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000245583139 455335359 /nfs/dbraw/zinc/33/53/59/455335359.db2.gz IDBGOLIHWICPQM-SJBKTWHCSA-N 2 2 336.479 3.289 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1(C)C ZINC000181460828 455337113 /nfs/dbraw/zinc/33/71/13/455337113.db2.gz DOELSTORECFCMW-MSOLQXFVSA-N 2 2 327.472 3.267 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882423 455337190 /nfs/dbraw/zinc/33/71/90/455337190.db2.gz RYAXXOZTJPIXNI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882423 455337195 /nfs/dbraw/zinc/33/71/95/455337195.db2.gz RYAXXOZTJPIXNI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882423 455337201 /nfs/dbraw/zinc/33/72/01/455337201.db2.gz RYAXXOZTJPIXNI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882423 455337204 /nfs/dbraw/zinc/33/72/04/455337204.db2.gz RYAXXOZTJPIXNI-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1C(F)(F)F ZINC000158935592 455339020 /nfs/dbraw/zinc/33/90/20/455339020.db2.gz UZSWUXWKJYJOQI-HUUCEWRRSA-N 2 2 344.421 3.449 20 0 EGADLP CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000245629750 455344469 /nfs/dbraw/zinc/34/44/69/455344469.db2.gz PVHKTYYHOATRTF-KGLIPLIRSA-N 2 2 349.504 3.072 20 0 EGADLP CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000245629750 455344471 /nfs/dbraw/zinc/34/44/71/455344471.db2.gz PVHKTYYHOATRTF-KGLIPLIRSA-N 2 2 349.504 3.072 20 0 EGADLP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245706901 455360970 /nfs/dbraw/zinc/36/09/70/455360970.db2.gz SDUXYFPGLNYEDH-JTDSTZFVSA-N 2 2 336.443 3.108 20 0 EGADLP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245706901 455360974 /nfs/dbraw/zinc/36/09/74/455360974.db2.gz SDUXYFPGLNYEDH-JTDSTZFVSA-N 2 2 336.443 3.108 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]2CCCO[C@H]21 ZINC000245851955 455386531 /nfs/dbraw/zinc/38/65/31/455386531.db2.gz GMDHLTWSISGELT-MTQWCTHYSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H]2CCCO[C@H]21 ZINC000245851955 455386533 /nfs/dbraw/zinc/38/65/33/455386533.db2.gz GMDHLTWSISGELT-MTQWCTHYSA-N 2 2 328.500 3.444 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H]3C3CCC3)c2cc1C ZINC000246032821 455415607 /nfs/dbraw/zinc/41/56/07/455415607.db2.gz UBPYAJGIYYUPEU-HKUYNNGSSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H]3C3CCC3)c2cc1C ZINC000246032821 455415612 /nfs/dbraw/zinc/41/56/12/455415612.db2.gz UBPYAJGIYYUPEU-HKUYNNGSSA-N 2 2 327.472 3.279 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246100803 455426708 /nfs/dbraw/zinc/42/67/08/455426708.db2.gz OQSCZLBNMPCVQG-YQQAZPJKSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246100803 455426712 /nfs/dbraw/zinc/42/67/12/455426712.db2.gz OQSCZLBNMPCVQG-YQQAZPJKSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246100803 455426714 /nfs/dbraw/zinc/42/67/14/455426714.db2.gz OQSCZLBNMPCVQG-YQQAZPJKSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246100803 455426718 /nfs/dbraw/zinc/42/67/18/455426718.db2.gz OQSCZLBNMPCVQG-YQQAZPJKSA-N 2 2 346.471 3.384 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246484223 455499326 /nfs/dbraw/zinc/49/93/26/455499326.db2.gz GSNWYNPAQWZKMV-JENIJYKNSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246484223 455499329 /nfs/dbraw/zinc/49/93/29/455499329.db2.gz GSNWYNPAQWZKMV-JENIJYKNSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246484223 455499331 /nfs/dbraw/zinc/49/93/31/455499331.db2.gz GSNWYNPAQWZKMV-JENIJYKNSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246484223 455499333 /nfs/dbraw/zinc/49/93/33/455499333.db2.gz GSNWYNPAQWZKMV-JENIJYKNSA-N 2 2 335.536 3.020 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000247203297 455572494 /nfs/dbraw/zinc/57/24/94/455572494.db2.gz PBMFAHXOFIDOCU-SJORKVTESA-N 2 2 340.471 3.418 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000247203297 455572499 /nfs/dbraw/zinc/57/24/99/455572499.db2.gz PBMFAHXOFIDOCU-SJORKVTESA-N 2 2 340.471 3.418 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000247293633 455584211 /nfs/dbraw/zinc/58/42/11/455584211.db2.gz ZHOSPGCWEGWTHL-DOXZYTNZSA-N 2 2 341.455 3.298 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000247293633 455584214 /nfs/dbraw/zinc/58/42/14/455584214.db2.gz ZHOSPGCWEGWTHL-DOXZYTNZSA-N 2 2 341.455 3.298 20 0 EGADLP CC[NH+]1CCN(CCCNc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000192278000 455586461 /nfs/dbraw/zinc/58/64/61/455586461.db2.gz CRXSOBGDGYAWOC-UHFFFAOYSA-N 2 2 347.551 3.337 20 0 EGADLP Cc1ccsc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356240 455595397 /nfs/dbraw/zinc/59/53/97/455595397.db2.gz AGPOPUGVTHYGPQ-SFHVURJKSA-N 2 2 330.497 3.437 20 0 EGADLP Cc1ccsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356240 455595398 /nfs/dbraw/zinc/59/53/98/455595398.db2.gz AGPOPUGVTHYGPQ-SFHVURJKSA-N 2 2 330.497 3.437 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000192355314 455595453 /nfs/dbraw/zinc/59/54/53/455595453.db2.gz JGFQZBLKDDNIPN-SFHVURJKSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000192355314 455595457 /nfs/dbraw/zinc/59/54/57/455595457.db2.gz JGFQZBLKDDNIPN-SFHVURJKSA-N 2 2 346.421 3.346 20 0 EGADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000271318731 455595768 /nfs/dbraw/zinc/59/57/68/455595768.db2.gz STORXBVKGHTPDU-JKSUJKDBSA-N 2 2 340.471 3.084 20 0 EGADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000271318731 455595773 /nfs/dbraw/zinc/59/57/73/455595773.db2.gz STORXBVKGHTPDU-JKSUJKDBSA-N 2 2 340.471 3.084 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000283843660 455602582 /nfs/dbraw/zinc/60/25/82/455602582.db2.gz HJWILDORBHGDRZ-UHFFFAOYSA-N 2 2 332.879 3.159 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)c1ccccc1 ZINC000284035842 455626526 /nfs/dbraw/zinc/62/65/26/455626526.db2.gz JMUXXPUULLYKIH-AEFFLSMTSA-N 2 2 329.492 3.074 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000247701695 455640510 /nfs/dbraw/zinc/64/05/10/455640510.db2.gz YBIYAKMKDQLRKW-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1C ZINC000247701695 455640513 /nfs/dbraw/zinc/64/05/13/455640513.db2.gz YBIYAKMKDQLRKW-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000247701695 455640517 /nfs/dbraw/zinc/64/05/17/455640517.db2.gz YBIYAKMKDQLRKW-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000247701695 455640521 /nfs/dbraw/zinc/64/05/21/455640521.db2.gz YBIYAKMKDQLRKW-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP C[C@@H]1CCC[C@@](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)([NH+](C)C)C1 ZINC000247742238 455642939 /nfs/dbraw/zinc/64/29/39/455642939.db2.gz NTOYOJXZIIPYTA-JTDSTZFVSA-N 2 2 347.507 3.157 20 0 EGADLP CC[N@@H+](Cc1ccncc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284255287 455657805 /nfs/dbraw/zinc/65/78/05/455657805.db2.gz WMVIADCJHXTPHO-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP CC[N@H+](Cc1ccncc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284255287 455657808 /nfs/dbraw/zinc/65/78/08/455657808.db2.gz WMVIADCJHXTPHO-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccncc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284255287 455657810 /nfs/dbraw/zinc/65/78/10/455657810.db2.gz WMVIADCJHXTPHO-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccncc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284255287 455657812 /nfs/dbraw/zinc/65/78/12/455657812.db2.gz WMVIADCJHXTPHO-OAQYLSRUSA-N 2 2 339.483 3.195 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000247942511 455657876 /nfs/dbraw/zinc/65/78/76/455657876.db2.gz GMVRWVITUPEGGL-TZMCWYRMSA-N 2 2 328.403 3.432 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000247942511 455657878 /nfs/dbraw/zinc/65/78/78/455657878.db2.gz GMVRWVITUPEGGL-TZMCWYRMSA-N 2 2 328.403 3.432 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277778899 455663625 /nfs/dbraw/zinc/66/36/25/455663625.db2.gz LUNILTVCMVJBFE-HNNXBMFYSA-N 2 2 343.500 3.022 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789947 455666882 /nfs/dbraw/zinc/66/68/82/455666882.db2.gz WCPMPBFCLZMPNE-BEVDRBHNSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789947 455666888 /nfs/dbraw/zinc/66/68/88/455666888.db2.gz WCPMPBFCLZMPNE-BEVDRBHNSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789951 455666957 /nfs/dbraw/zinc/66/69/57/455666957.db2.gz WCPMPBFCLZMPNE-CDHQVMDDSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789951 455666963 /nfs/dbraw/zinc/66/69/63/455666963.db2.gz WCPMPBFCLZMPNE-CDHQVMDDSA-N 2 2 328.431 3.112 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248008825 455668668 /nfs/dbraw/zinc/66/86/68/455668668.db2.gz LARKYZKVAUACEV-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248008825 455668671 /nfs/dbraw/zinc/66/86/71/455668671.db2.gz LARKYZKVAUACEV-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248008825 455668673 /nfs/dbraw/zinc/66/86/73/455668673.db2.gz LARKYZKVAUACEV-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248008825 455668675 /nfs/dbraw/zinc/66/86/75/455668675.db2.gz LARKYZKVAUACEV-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1C ZINC000248172483 455693464 /nfs/dbraw/zinc/69/34/64/455693464.db2.gz VAAMJRIHPWJAOJ-HOTGVXAUSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1C ZINC000248172483 455693469 /nfs/dbraw/zinc/69/34/69/455693469.db2.gz VAAMJRIHPWJAOJ-HOTGVXAUSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1C ZINC000248172483 455693473 /nfs/dbraw/zinc/69/34/73/455693473.db2.gz VAAMJRIHPWJAOJ-HOTGVXAUSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1C ZINC000248172483 455693478 /nfs/dbraw/zinc/69/34/78/455693478.db2.gz VAAMJRIHPWJAOJ-HOTGVXAUSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268907812 455725523 /nfs/dbraw/zinc/72/55/23/455725523.db2.gz NMSINJVRXFKCEM-GJYPPUQNSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268907812 455725524 /nfs/dbraw/zinc/72/55/24/455725524.db2.gz NMSINJVRXFKCEM-GJYPPUQNSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1ccn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)nc2c1 ZINC000268905915 455725663 /nfs/dbraw/zinc/72/56/63/455725663.db2.gz NBAKWSJETZMKLP-UHFFFAOYSA-N 2 2 348.494 3.439 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3o2)[C@@H](C)C1 ZINC000249432959 455755820 /nfs/dbraw/zinc/75/58/20/455755820.db2.gz KFJFQGIAOKLTJG-HOTGVXAUSA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3o2)[C@@H](C)C1 ZINC000249432959 455755824 /nfs/dbraw/zinc/75/58/24/455755824.db2.gz KFJFQGIAOKLTJG-HOTGVXAUSA-N 2 2 331.460 3.054 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000278158542 455773237 /nfs/dbraw/zinc/77/32/37/455773237.db2.gz ATZSBVJLZVSXJC-YSIASYRMSA-N 2 2 340.467 3.130 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000278158542 455773242 /nfs/dbraw/zinc/77/32/42/455773242.db2.gz ATZSBVJLZVSXJC-YSIASYRMSA-N 2 2 340.467 3.130 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC000271840316 455782508 /nfs/dbraw/zinc/78/25/08/455782508.db2.gz SWGNGTRNOUTRTP-QGZVFWFLSA-N 2 2 332.488 3.372 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3cccnc3Cl)[nH+]c2)CC1 ZINC000269125110 455793765 /nfs/dbraw/zinc/79/37/65/455793765.db2.gz GWWVROOWGUQIOS-UHFFFAOYSA-N 2 2 345.878 3.273 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]1 ZINC000278257965 455799963 /nfs/dbraw/zinc/79/99/63/455799963.db2.gz NJTZZJYSJLZWJS-JSGCOSHPSA-N 2 2 345.830 3.398 20 0 EGADLP CC[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+](C)C ZINC000278278318 455804813 /nfs/dbraw/zinc/80/48/13/455804813.db2.gz ZLMJALHWNJHIQC-KRWDZBQOSA-N 2 2 326.444 3.165 20 0 EGADLP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000278650030 455843156 /nfs/dbraw/zinc/84/31/56/455843156.db2.gz JSFFNSHTZONYCZ-GFCCVEGCSA-N 2 2 349.360 3.456 20 0 EGADLP CC[C@@H](C)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553909 455853763 /nfs/dbraw/zinc/85/37/63/455853763.db2.gz MTMQWZAUHQFOKV-HZPDHXFCSA-N 2 2 342.487 3.420 20 0 EGADLP CC[C@@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553909 455853767 /nfs/dbraw/zinc/85/37/67/455853767.db2.gz MTMQWZAUHQFOKV-HZPDHXFCSA-N 2 2 342.487 3.420 20 0 EGADLP CC[C@@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553909 455853771 /nfs/dbraw/zinc/85/37/71/455853771.db2.gz MTMQWZAUHQFOKV-HZPDHXFCSA-N 2 2 342.487 3.420 20 0 EGADLP CC[C@@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553909 455853775 /nfs/dbraw/zinc/85/37/75/455853775.db2.gz MTMQWZAUHQFOKV-HZPDHXFCSA-N 2 2 342.487 3.420 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165515 455864200 /nfs/dbraw/zinc/86/42/00/455864200.db2.gz GPIOWOCRTAHRKZ-MJGOQNOKSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272165515 455864205 /nfs/dbraw/zinc/86/42/05/455864205.db2.gz GPIOWOCRTAHRKZ-MJGOQNOKSA-N 2 2 334.467 3.335 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000270090188 455875812 /nfs/dbraw/zinc/87/58/12/455875812.db2.gz AKRWVCHGJIEVQC-HNNXBMFYSA-N 2 2 337.427 3.270 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000270090188 455875818 /nfs/dbraw/zinc/87/58/18/455875818.db2.gz AKRWVCHGJIEVQC-HNNXBMFYSA-N 2 2 337.427 3.270 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000285585830 455876374 /nfs/dbraw/zinc/87/63/74/455876374.db2.gz IYHYZEPMNHOUQO-UHFFFAOYSA-N 2 2 334.416 3.003 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000285585830 455876377 /nfs/dbraw/zinc/87/63/77/455876377.db2.gz IYHYZEPMNHOUQO-UHFFFAOYSA-N 2 2 334.416 3.003 20 0 EGADLP CCOC(=O)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)o1 ZINC000285585830 455876379 /nfs/dbraw/zinc/87/63/79/455876379.db2.gz IYHYZEPMNHOUQO-UHFFFAOYSA-N 2 2 334.416 3.003 20 0 EGADLP CCOC(=O)c1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000285585830 455876384 /nfs/dbraw/zinc/87/63/84/455876384.db2.gz IYHYZEPMNHOUQO-UHFFFAOYSA-N 2 2 334.416 3.003 20 0 EGADLP C[C@H](c1ccccn1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285765065 455912266 /nfs/dbraw/zinc/91/22/66/455912266.db2.gz WIKAWPZFXWHUSE-LJQANCHMSA-N 2 2 338.499 3.287 20 0 EGADLP C[C@H](c1ccccn1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285765065 455912270 /nfs/dbraw/zinc/91/22/70/455912270.db2.gz WIKAWPZFXWHUSE-LJQANCHMSA-N 2 2 338.499 3.287 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000285764831 455912451 /nfs/dbraw/zinc/91/24/51/455912451.db2.gz SXRLAFRLBGWNFF-NEPJUHHUSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000285764831 455912454 /nfs/dbraw/zinc/91/24/54/455912454.db2.gz SXRLAFRLBGWNFF-NEPJUHHUSA-N 2 2 345.231 3.444 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000296338660 455912738 /nfs/dbraw/zinc/91/27/38/455912738.db2.gz IGYLPTANIBCUMY-MRXNPFEDSA-N 2 2 341.503 3.128 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000296338660 455912742 /nfs/dbraw/zinc/91/27/42/455912742.db2.gz IGYLPTANIBCUMY-MRXNPFEDSA-N 2 2 341.503 3.128 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000280235190 455924658 /nfs/dbraw/zinc/92/46/58/455924658.db2.gz JTKGKXCHMLQJFX-QSJFSLAZSA-N 2 2 332.488 3.411 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000280235190 455924663 /nfs/dbraw/zinc/92/46/63/455924663.db2.gz JTKGKXCHMLQJFX-QSJFSLAZSA-N 2 2 332.488 3.411 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000280292203 455938336 /nfs/dbraw/zinc/93/83/36/455938336.db2.gz UQXNHYXWLFDTJL-QGZVFWFLSA-N 3 2 326.488 3.466 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000280292203 455938340 /nfs/dbraw/zinc/93/83/40/455938340.db2.gz UQXNHYXWLFDTJL-QGZVFWFLSA-N 3 2 326.488 3.466 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270373254 455941225 /nfs/dbraw/zinc/94/12/25/455941225.db2.gz ZPRIQBVEDPSCSU-UHFFFAOYSA-N 2 2 332.835 3.190 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000261760549 455942786 /nfs/dbraw/zinc/94/27/86/455942786.db2.gz VSFFOUANYUBHRZ-ROUUACIJSA-N 2 2 331.504 3.045 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000261760549 455942790 /nfs/dbraw/zinc/94/27/90/455942790.db2.gz VSFFOUANYUBHRZ-ROUUACIJSA-N 2 2 331.504 3.045 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000261794408 455948701 /nfs/dbraw/zinc/94/87/01/455948701.db2.gz GKVGBHDMNSXZBH-INIZCTEOSA-N 2 2 347.532 3.149 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000261794408 455948708 /nfs/dbraw/zinc/94/87/08/455948708.db2.gz GKVGBHDMNSXZBH-INIZCTEOSA-N 2 2 347.532 3.149 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000261825957 455954629 /nfs/dbraw/zinc/95/46/29/455954629.db2.gz TUGKCGLLHPDKOX-DOTOQJQBSA-N 2 2 338.455 3.342 20 0 EGADLP C[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000280407982 455965903 /nfs/dbraw/zinc/96/59/03/455965903.db2.gz YHDHFSLJIFGYSE-CQSZACIVSA-N 2 2 336.785 3.076 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261920036 455971652 /nfs/dbraw/zinc/97/16/52/455971652.db2.gz BMQAFACRTSQNCL-QFBILLFUSA-N 2 2 325.456 3.056 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000261920036 455971656 /nfs/dbraw/zinc/97/16/56/455971656.db2.gz BMQAFACRTSQNCL-QFBILLFUSA-N 2 2 325.456 3.056 20 0 EGADLP Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261922949 455971771 /nfs/dbraw/zinc/97/17/71/455971771.db2.gz KRWZGWUJCHWFGW-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261922949 455971775 /nfs/dbraw/zinc/97/17/75/455971775.db2.gz KRWZGWUJCHWFGW-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP FC1(F)CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000280450042 455974809 /nfs/dbraw/zinc/97/48/09/455974809.db2.gz VIAXDONUGLGHNN-LLVKDONJSA-N 2 2 330.342 3.058 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000272513043 455977898 /nfs/dbraw/zinc/97/78/98/455977898.db2.gz GQQWVIQHDFADRF-MLGOLLRUSA-N 2 2 348.384 3.254 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652277 455991938 /nfs/dbraw/zinc/99/19/38/455991938.db2.gz YOAZGFNQPMKPSG-YADHBBJMSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652277 455991945 /nfs/dbraw/zinc/99/19/45/455991945.db2.gz YOAZGFNQPMKPSG-YADHBBJMSA-N 2 2 338.495 3.455 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000286176170 455994054 /nfs/dbraw/zinc/99/40/54/455994054.db2.gz CDDUCPQAAXVKPG-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000286176170 455994059 /nfs/dbraw/zinc/99/40/59/455994059.db2.gz CDDUCPQAAXVKPG-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562855 455995074 /nfs/dbraw/zinc/99/50/74/455995074.db2.gz UMRJHNFZMWQMSX-DOTOQJQBSA-N 2 2 340.496 3.396 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562855 455995078 /nfs/dbraw/zinc/99/50/78/455995078.db2.gz UMRJHNFZMWQMSX-DOTOQJQBSA-N 2 2 340.496 3.396 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650006 456026359 /nfs/dbraw/zinc/02/63/59/456026359.db2.gz PRGTXDPAKTVSPN-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650006 456026363 /nfs/dbraw/zinc/02/63/63/456026363.db2.gz PRGTXDPAKTVSPN-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650006 456026368 /nfs/dbraw/zinc/02/63/68/456026368.db2.gz PRGTXDPAKTVSPN-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650006 456026371 /nfs/dbraw/zinc/02/63/71/456026371.db2.gz PRGTXDPAKTVSPN-RXVVDRJESA-N 2 2 337.467 3.187 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000296747657 456028420 /nfs/dbraw/zinc/02/84/20/456028420.db2.gz PLQKDXIRZYQVMC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000296747657 456028424 /nfs/dbraw/zinc/02/84/24/456028424.db2.gz PLQKDXIRZYQVMC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Cl ZINC000296747657 456028430 /nfs/dbraw/zinc/02/84/30/456028430.db2.gz PLQKDXIRZYQVMC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000296747657 456028435 /nfs/dbraw/zinc/02/84/35/456028435.db2.gz PLQKDXIRZYQVMC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000188259314 456031318 /nfs/dbraw/zinc/03/13/18/456031318.db2.gz FKVONDWVZWWNTN-HZPDHXFCSA-N 2 2 325.460 3.056 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675309 456036326 /nfs/dbraw/zinc/03/63/26/456036326.db2.gz UNYXICXIVFXBJZ-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675309 456036328 /nfs/dbraw/zinc/03/63/28/456036328.db2.gz UNYXICXIVFXBJZ-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675309 456036329 /nfs/dbraw/zinc/03/63/29/456036329.db2.gz UNYXICXIVFXBJZ-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675309 456036330 /nfs/dbraw/zinc/03/63/30/456036330.db2.gz UNYXICXIVFXBJZ-PZJWPPBQSA-N 2 2 337.467 3.187 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000222122508 456044808 /nfs/dbraw/zinc/04/48/08/456044808.db2.gz NGFWHLVZFSFNQJ-OFQRWUPVSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000222122508 456044812 /nfs/dbraw/zinc/04/48/12/456044812.db2.gz NGFWHLVZFSFNQJ-OFQRWUPVSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000222122508 456044815 /nfs/dbraw/zinc/04/48/15/456044815.db2.gz NGFWHLVZFSFNQJ-OFQRWUPVSA-N 2 2 332.444 3.076 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000296893735 456061826 /nfs/dbraw/zinc/06/18/26/456061826.db2.gz OOPSQFWWCPJZDR-INIZCTEOSA-N 2 2 342.487 3.280 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](OCc4ccncc4)C3)cc2)c[nH+]1 ZINC000280911080 456078428 /nfs/dbraw/zinc/07/84/28/456078428.db2.gz FQPOZLFFBMVXCM-FQEVSTJZSA-N 2 2 334.423 3.058 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](OCc4ccncc4)C3)cc2)c[nH+]1 ZINC000280911080 456078436 /nfs/dbraw/zinc/07/84/36/456078436.db2.gz FQPOZLFFBMVXCM-FQEVSTJZSA-N 2 2 334.423 3.058 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000280986388 456100837 /nfs/dbraw/zinc/10/08/37/456100837.db2.gz LMUGRDGKLGNHBC-UHFFFAOYSA-N 2 2 337.427 3.108 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000280986388 456100840 /nfs/dbraw/zinc/10/08/40/456100840.db2.gz LMUGRDGKLGNHBC-UHFFFAOYSA-N 2 2 337.427 3.108 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000271110956 456128656 /nfs/dbraw/zinc/12/86/56/456128656.db2.gz DLODOKWVJWSMQZ-INIZCTEOSA-N 2 2 329.444 3.334 20 0 EGADLP CCOCc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC ZINC000271110956 456128660 /nfs/dbraw/zinc/12/86/60/456128660.db2.gz DLODOKWVJWSMQZ-INIZCTEOSA-N 2 2 329.444 3.334 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000188988641 456191529 /nfs/dbraw/zinc/19/15/29/456191529.db2.gz BLAUMPRBHVNATO-VLCRHTCISA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000188988641 456191539 /nfs/dbraw/zinc/19/15/39/456191539.db2.gz BLAUMPRBHVNATO-VLCRHTCISA-N 2 2 338.495 3.324 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000236948764 456207663 /nfs/dbraw/zinc/20/76/63/456207663.db2.gz JPAPRCAVMGQYLK-INIZCTEOSA-N 2 2 346.500 3.369 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289996782 456210166 /nfs/dbraw/zinc/21/01/66/456210166.db2.gz KVUZURVYYHBMEE-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289996782 456210170 /nfs/dbraw/zinc/21/01/70/456210170.db2.gz KVUZURVYYHBMEE-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000289996782 456210173 /nfs/dbraw/zinc/21/01/73/456210173.db2.gz KVUZURVYYHBMEE-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000289996782 456210178 /nfs/dbraw/zinc/21/01/78/456210178.db2.gz KVUZURVYYHBMEE-MJGOQNOKSA-N 2 2 326.488 3.213 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1cccc(F)c1 ZINC000301827822 456225561 /nfs/dbraw/zinc/22/55/61/456225561.db2.gz NSMYICOMQZGMKH-MRXNPFEDSA-N 2 2 329.423 3.152 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1c(F)cccc1F ZINC000301832856 456227123 /nfs/dbraw/zinc/22/71/23/456227123.db2.gz ROWIUZUBAOWDEQ-OAHLLOKOSA-N 2 2 347.413 3.292 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000281455773 456239902 /nfs/dbraw/zinc/23/99/02/456239902.db2.gz DMMWZWQXYIRSNS-LMMKCTJWSA-N 2 2 333.545 3.443 20 0 EGADLP CCOC(=O)C1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000237162960 456240575 /nfs/dbraw/zinc/24/05/75/456240575.db2.gz OYWIBHASPMKIBV-UHFFFAOYSA-N 2 2 327.428 3.084 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000301985432 456265514 /nfs/dbraw/zinc/26/55/14/456265514.db2.gz LRKHANRZHZPHNE-AWEZNQCLSA-N 2 2 327.428 3.165 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000301985432 456265519 /nfs/dbraw/zinc/26/55/19/456265519.db2.gz LRKHANRZHZPHNE-AWEZNQCLSA-N 2 2 327.428 3.165 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)ccn1 ZINC000342870282 456284320 /nfs/dbraw/zinc/28/43/20/456284320.db2.gz CRIRBWDFTDBOIB-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)ccn1 ZINC000342870282 456284324 /nfs/dbraw/zinc/28/43/24/456284324.db2.gz CRIRBWDFTDBOIB-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290313321 456286897 /nfs/dbraw/zinc/28/68/97/456286897.db2.gz NVHSRVBYANNOSY-BOUXLOLZSA-N 2 2 335.407 3.018 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000334059401 456293726 /nfs/dbraw/zinc/29/37/26/456293726.db2.gz XVTXVQMQXPBYHH-FSZRXZPDSA-N 2 2 344.503 3.213 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000334059401 456293731 /nfs/dbraw/zinc/29/37/31/456293731.db2.gz XVTXVQMQXPBYHH-FSZRXZPDSA-N 2 2 344.503 3.213 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000340195061 456305352 /nfs/dbraw/zinc/30/53/52/456305352.db2.gz XOXKAXKJSIQWIJ-UHFFFAOYSA-N 2 2 337.533 3.343 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000275763379 456307465 /nfs/dbraw/zinc/30/74/65/456307465.db2.gz YAIGBZTXWTXKGU-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000275763379 456307468 /nfs/dbraw/zinc/30/74/68/456307468.db2.gz YAIGBZTXWTXKGU-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000275763379 456307470 /nfs/dbraw/zinc/30/74/70/456307470.db2.gz YAIGBZTXWTXKGU-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275763379 456307471 /nfs/dbraw/zinc/30/74/71/456307471.db2.gz YAIGBZTXWTXKGU-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790028 456307562 /nfs/dbraw/zinc/30/75/62/456307562.db2.gz VMYQZSIMYLJVCD-QFBILLFUSA-N 2 2 338.451 3.210 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790028 456307568 /nfs/dbraw/zinc/30/75/68/456307568.db2.gz VMYQZSIMYLJVCD-QFBILLFUSA-N 2 2 338.451 3.210 20 0 EGADLP c1cn2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c(C3CC3)nc2s1 ZINC000342924418 456317169 /nfs/dbraw/zinc/31/71/69/456317169.db2.gz DREYJDAFCVSOCI-OAHLLOKOSA-N 2 2 340.452 3.322 20 0 EGADLP c1cn2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c(C3CC3)nc2s1 ZINC000342924418 456317175 /nfs/dbraw/zinc/31/71/75/456317175.db2.gz DREYJDAFCVSOCI-OAHLLOKOSA-N 2 2 340.452 3.322 20 0 EGADLP FC(F)n1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000347710445 456320020 /nfs/dbraw/zinc/32/00/20/456320020.db2.gz VSTHSKSWOJKZHG-UHFFFAOYSA-N 2 2 326.435 3.366 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000337019349 456321569 /nfs/dbraw/zinc/32/15/69/456321569.db2.gz PHEXOOBCVURLOY-DYVFJYSZSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000337019349 456321573 /nfs/dbraw/zinc/32/15/73/456321573.db2.gz PHEXOOBCVURLOY-DYVFJYSZSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000297967636 456334556 /nfs/dbraw/zinc/33/45/56/456334556.db2.gz WYLKMPRGZMXKPE-UHFFFAOYSA-N 2 2 325.456 3.342 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000297967636 456334562 /nfs/dbraw/zinc/33/45/62/456334562.db2.gz WYLKMPRGZMXKPE-UHFFFAOYSA-N 2 2 325.456 3.342 20 0 EGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000352821537 456336429 /nfs/dbraw/zinc/33/64/29/456336429.db2.gz PYLCKNQKRZUVJV-CYBMUJFWSA-N 2 2 340.393 3.321 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(Cl)c1O ZINC000298048585 456352774 /nfs/dbraw/zinc/35/27/74/456352774.db2.gz IJSRKZRHBQXHDJ-CQSZACIVSA-N 2 2 326.868 3.360 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(Cl)c1O ZINC000298048585 456352769 /nfs/dbraw/zinc/35/27/69/456352769.db2.gz IJSRKZRHBQXHDJ-CQSZACIVSA-N 2 2 326.868 3.360 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)CC1 ZINC000281901326 456354327 /nfs/dbraw/zinc/35/43/27/456354327.db2.gz AJBUCBOZOXNJEV-HXUWFJFHSA-N 2 2 339.483 3.054 20 0 EGADLP c1csc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)c1 ZINC000347802503 456375172 /nfs/dbraw/zinc/37/51/72/456375172.db2.gz VIZYHRZJWNLJPW-UHFFFAOYSA-N 2 2 342.468 3.111 20 0 EGADLP C[NH+](C)[C@@H](CNc1nc[nH+]c(N)c1Cl)c1ccccc1Cl ZINC000302686999 456375532 /nfs/dbraw/zinc/37/55/32/456375532.db2.gz ARBZBJKAVAGDTK-NSHDSACASA-N 2 2 326.231 3.080 20 0 EGADLP c1csc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000302686004 456375586 /nfs/dbraw/zinc/37/55/86/456375586.db2.gz AHDWPSAWEJJROO-OAHLLOKOSA-N 2 2 343.500 3.387 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000347833007 456392557 /nfs/dbraw/zinc/39/25/57/456392557.db2.gz NYSIUMFSINRWPO-HNNXBMFYSA-N 2 2 332.419 3.286 20 0 EGADLP CC(C)c1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000302771510 456395414 /nfs/dbraw/zinc/39/54/14/456395414.db2.gz CILSJIWOIYTUDC-GOSISDBHSA-N 2 2 340.471 3.303 20 0 EGADLP CC(C)c1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000302771510 456395419 /nfs/dbraw/zinc/39/54/19/456395419.db2.gz CILSJIWOIYTUDC-GOSISDBHSA-N 2 2 340.471 3.303 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1SC ZINC000298330738 456426270 /nfs/dbraw/zinc/42/62/70/456426270.db2.gz IUCSTEUSAOXZCL-UAGQMJEPSA-N 2 2 335.448 3.010 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c(F)cn1 ZINC000348105371 456485464 /nfs/dbraw/zinc/48/54/64/456485464.db2.gz RLFSAGXPGMTMAK-GFCCVEGCSA-N 2 2 335.398 3.281 20 0 EGADLP Cc1ccc2ncc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)n2c1 ZINC000343152162 456436392 /nfs/dbraw/zinc/43/63/92/456436392.db2.gz FSRLUCJIDFRAKN-UHFFFAOYSA-N 2 2 331.423 3.177 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CSC[C@H]3C)c[nH+]c12 ZINC000353031120 456448189 /nfs/dbraw/zinc/44/81/89/456448189.db2.gz BCMYYLXYWZJAOW-MFKMUULPSA-N 2 2 340.290 3.246 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000340493679 456492150 /nfs/dbraw/zinc/49/21/50/456492150.db2.gz ALVUCNUABOQKOO-TXPKVOOTSA-N 2 2 325.456 3.261 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000340493679 456492155 /nfs/dbraw/zinc/49/21/55/456492155.db2.gz ALVUCNUABOQKOO-TXPKVOOTSA-N 2 2 325.456 3.261 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)oc1C ZINC000282385964 456497076 /nfs/dbraw/zinc/49/70/76/456497076.db2.gz XFQHTUPIBWDAOI-KRWDZBQOSA-N 2 2 341.499 3.495 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508448 456500185 /nfs/dbraw/zinc/50/01/85/456500185.db2.gz ZASATFCOPFQKFX-YJYMSZOUSA-N 2 2 349.400 3.499 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508448 456500188 /nfs/dbraw/zinc/50/01/88/456500188.db2.gz ZASATFCOPFQKFX-YJYMSZOUSA-N 2 2 349.400 3.499 20 0 EGADLP Cc1cc(N2CC[NH+](CCOCCC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000340586936 456549380 /nfs/dbraw/zinc/54/93/80/456549380.db2.gz IHVYIWBOZRFVLN-UHFFFAOYSA-N 2 2 334.508 3.093 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)s1 ZINC000348231369 456552792 /nfs/dbraw/zinc/55/27/92/456552792.db2.gz NPZVCAZVOSWMQR-HNNXBMFYSA-N 2 2 341.484 3.001 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)s1 ZINC000348231369 456552796 /nfs/dbraw/zinc/55/27/96/456552796.db2.gz NPZVCAZVOSWMQR-HNNXBMFYSA-N 2 2 341.484 3.001 20 0 EGADLP CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)n1 ZINC000276773529 456575428 /nfs/dbraw/zinc/57/54/28/456575428.db2.gz LIQCQNFDHRHKLJ-OAHLLOKOSA-N 2 2 348.472 3.052 20 0 EGADLP CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)n1 ZINC000276773529 456575437 /nfs/dbraw/zinc/57/54/37/456575437.db2.gz LIQCQNFDHRHKLJ-OAHLLOKOSA-N 2 2 348.472 3.052 20 0 EGADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343399522 456593778 /nfs/dbraw/zinc/59/37/78/456593778.db2.gz PTKMRPSRIRVCIW-KSSFIOAISA-N 2 2 347.532 3.002 20 0 EGADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343399522 456593785 /nfs/dbraw/zinc/59/37/85/456593785.db2.gz PTKMRPSRIRVCIW-KSSFIOAISA-N 2 2 347.532 3.002 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc12 ZINC000353290840 456615485 /nfs/dbraw/zinc/61/54/85/456615485.db2.gz XRRTYVOLMZIADC-KRWDZBQOSA-N 2 2 341.503 3.354 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc12 ZINC000353290840 456615490 /nfs/dbraw/zinc/61/54/90/456615490.db2.gz XRRTYVOLMZIADC-KRWDZBQOSA-N 2 2 341.503 3.354 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000348325353 456625073 /nfs/dbraw/zinc/62/50/73/456625073.db2.gz HDUJEWAEIYRWHT-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000348325353 456625078 /nfs/dbraw/zinc/62/50/78/456625078.db2.gz HDUJEWAEIYRWHT-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000348325353 456625085 /nfs/dbraw/zinc/62/50/85/456625085.db2.gz HDUJEWAEIYRWHT-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000348325353 456625090 /nfs/dbraw/zinc/62/50/90/456625090.db2.gz HDUJEWAEIYRWHT-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332886 456631148 /nfs/dbraw/zinc/63/11/48/456631148.db2.gz WNKLBKFXHTUSIR-RLLQIKCJSA-N 2 2 349.478 3.077 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348332886 456631152 /nfs/dbraw/zinc/63/11/52/456631152.db2.gz WNKLBKFXHTUSIR-RLLQIKCJSA-N 2 2 349.478 3.077 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332886 456631155 /nfs/dbraw/zinc/63/11/55/456631155.db2.gz WNKLBKFXHTUSIR-RLLQIKCJSA-N 2 2 349.478 3.077 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348332886 456631158 /nfs/dbraw/zinc/63/11/58/456631158.db2.gz WNKLBKFXHTUSIR-RLLQIKCJSA-N 2 2 349.478 3.077 20 0 EGADLP COc1ccc([C@H](CN(C)C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348345851 456638186 /nfs/dbraw/zinc/63/81/86/456638186.db2.gz QNIJQLGLWOAQEY-FQEVSTJZSA-N 2 2 327.472 3.224 20 0 EGADLP Cc1nc(NC(C)(C)CCC[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000322927244 456652680 /nfs/dbraw/zinc/65/26/80/456652680.db2.gz YCHGOYFMODSGQG-UHFFFAOYSA-N 2 2 329.286 3.388 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC000323987571 456659217 /nfs/dbraw/zinc/65/92/17/456659217.db2.gz KBPFRNFQQQJDMS-KSSFIOAISA-N 2 2 336.863 3.062 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)c3c(c1)OCCCO3)C2 ZINC000323987571 456659219 /nfs/dbraw/zinc/65/92/19/456659219.db2.gz KBPFRNFQQQJDMS-KSSFIOAISA-N 2 2 336.863 3.062 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@H](c2ccc(OC)cc2)N2CCCCC2)CC1 ZINC000299347896 456664633 /nfs/dbraw/zinc/66/46/33/456664633.db2.gz MZDLARLJJJVFDK-OAQYLSRUSA-N 2 2 345.531 3.296 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000282952077 456673625 /nfs/dbraw/zinc/67/36/25/456673625.db2.gz HEWAMLPHYFPWNJ-YLJYHZDGSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000282952077 456673629 /nfs/dbraw/zinc/67/36/29/456673629.db2.gz HEWAMLPHYFPWNJ-YLJYHZDGSA-N 3 2 326.488 3.082 20 0 EGADLP CCN(CCC[NH+](C)C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338202757 456702469 /nfs/dbraw/zinc/70/24/69/456702469.db2.gz DRZCOFZWSFURIS-UHFFFAOYSA-N 2 2 327.428 3.288 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@H+](C)Cc1ccccc1 ZINC000353514229 456727683 /nfs/dbraw/zinc/72/76/83/456727683.db2.gz BUEQTPPNYQIAQA-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@@H+](C)Cc1ccccc1 ZINC000353514229 456727686 /nfs/dbraw/zinc/72/76/86/456727686.db2.gz BUEQTPPNYQIAQA-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000283178227 456730037 /nfs/dbraw/zinc/73/00/37/456730037.db2.gz JQZKTWQDVHHVAZ-ROUUACIJSA-N 2 2 327.428 3.045 20 0 EGADLP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(OC(F)F)c1 ZINC000343606894 456739917 /nfs/dbraw/zinc/73/99/17/456739917.db2.gz QTIDMNSLZVJANJ-UHFFFAOYSA-N 2 2 328.403 3.214 20 0 EGADLP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(OC(F)F)c1 ZINC000343606894 456739922 /nfs/dbraw/zinc/73/99/22/456739922.db2.gz QTIDMNSLZVJANJ-UHFFFAOYSA-N 2 2 328.403 3.214 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1O ZINC000277245201 456741294 /nfs/dbraw/zinc/74/12/94/456741294.db2.gz OZAKSEXSPSWBSV-HNNXBMFYSA-N 2 2 329.444 3.209 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348541346 456751568 /nfs/dbraw/zinc/75/15/68/456751568.db2.gz VXZZZGZYQQWQDL-KGLIPLIRSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348541346 456751574 /nfs/dbraw/zinc/75/15/74/456751574.db2.gz VXZZZGZYQQWQDL-KGLIPLIRSA-N 2 2 344.484 3.338 20 0 EGADLP C[C@H](c1cc(F)ccc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722376 456769577 /nfs/dbraw/zinc/76/95/77/456769577.db2.gz DWZDJWLSAMAYJT-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1cc(F)ccc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722376 456769581 /nfs/dbraw/zinc/76/95/81/456769581.db2.gz DWZDJWLSAMAYJT-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1cc(F)ccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722376 456769588 /nfs/dbraw/zinc/76/95/88/456769588.db2.gz DWZDJWLSAMAYJT-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1cc(F)ccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722376 456769596 /nfs/dbraw/zinc/76/95/96/456769596.db2.gz DWZDJWLSAMAYJT-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C12CCCC2 ZINC000344161573 456803140 /nfs/dbraw/zinc/80/31/40/456803140.db2.gz GQZKQRTXKODZPV-ROUUACIJSA-N 2 2 338.536 3.203 20 0 EGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@H](C)Cn2cccn2)[NH+](C)C)cc1 ZINC000348702009 456819714 /nfs/dbraw/zinc/81/97/14/456819714.db2.gz PZKDGMKVNIPKLX-XLIONFOSSA-N 2 2 328.504 3.363 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353658185 456836066 /nfs/dbraw/zinc/83/60/66/456836066.db2.gz PONHIFHTVDWVHB-IBGZPJMESA-N 2 2 338.386 3.060 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353658185 456836072 /nfs/dbraw/zinc/83/60/72/456836072.db2.gz PONHIFHTVDWVHB-IBGZPJMESA-N 2 2 338.386 3.060 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000353659454 456837151 /nfs/dbraw/zinc/83/71/51/456837151.db2.gz KZBMIADPMGPHDA-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000353659454 456837157 /nfs/dbraw/zinc/83/71/57/456837157.db2.gz KZBMIADPMGPHDA-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660616 456838777 /nfs/dbraw/zinc/83/87/77/456838777.db2.gz MYYSPKADCPDSKP-ZWKOTPCHSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660616 456838779 /nfs/dbraw/zinc/83/87/79/456838779.db2.gz MYYSPKADCPDSKP-ZWKOTPCHSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660616 456838782 /nfs/dbraw/zinc/83/87/82/456838782.db2.gz MYYSPKADCPDSKP-ZWKOTPCHSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660616 456838784 /nfs/dbraw/zinc/83/87/84/456838784.db2.gz MYYSPKADCPDSKP-ZWKOTPCHSA-N 2 2 326.488 3.485 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513418 456848928 /nfs/dbraw/zinc/84/89/28/456848928.db2.gz RIBFTQGCROTULT-HIFRSBDPSA-N 2 2 348.384 3.014 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513418 456848933 /nfs/dbraw/zinc/84/89/33/456848933.db2.gz RIBFTQGCROTULT-HIFRSBDPSA-N 2 2 348.384 3.014 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cs2)cc1 ZINC000292164573 456874665 /nfs/dbraw/zinc/87/46/65/456874665.db2.gz OXTUNDDPNQDXTQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cs2)cc1 ZINC000292164573 456874668 /nfs/dbraw/zinc/87/46/68/456874668.db2.gz OXTUNDDPNQDXTQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cs2)cc1 ZINC000292164573 456874672 /nfs/dbraw/zinc/87/46/72/456874672.db2.gz OXTUNDDPNQDXTQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cs2)cc1 ZINC000292164573 456874674 /nfs/dbraw/zinc/87/46/74/456874674.db2.gz OXTUNDDPNQDXTQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000348845057 456882401 /nfs/dbraw/zinc/88/24/01/456882401.db2.gz SESDXSRPNJAWFL-SFHVURJKSA-N 2 2 326.444 3.017 20 0 EGADLP COc1cccc2c(NC[C@]3([NH+](C)C)CCSC3)c(C)c[nH+]c12 ZINC000344974563 456884216 /nfs/dbraw/zinc/88/42/16/456884216.db2.gz WUSSWLHNNAZZIS-GOSISDBHSA-N 2 2 331.485 3.401 20 0 EGADLP Cc1cccc2[nH+]cc(CN(CC[NH+](C)C)Cc3cccc(F)c3)n21 ZINC000349036019 456894163 /nfs/dbraw/zinc/89/41/63/456894163.db2.gz LNJDYHMOMYRUGC-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)c2ccon2)c1)c1ccon1 ZINC000349200389 456911221 /nfs/dbraw/zinc/91/12/21/456911221.db2.gz NGFGENYXHXVSKU-OKILXGFUSA-N 2 2 326.400 3.364 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353823749 456924043 /nfs/dbraw/zinc/92/40/43/456924043.db2.gz WKWNTAMTXJDWIV-NVXWUHKLSA-N 2 2 335.517 3.445 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353823749 456924045 /nfs/dbraw/zinc/92/40/45/456924045.db2.gz WKWNTAMTXJDWIV-NVXWUHKLSA-N 2 2 335.517 3.445 20 0 EGADLP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000349331330 456945193 /nfs/dbraw/zinc/94/51/93/456945193.db2.gz LIAMJZNWOSMLSW-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000349331330 456945196 /nfs/dbraw/zinc/94/51/96/456945196.db2.gz LIAMJZNWOSMLSW-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000349331330 456945199 /nfs/dbraw/zinc/94/51/99/456945199.db2.gz LIAMJZNWOSMLSW-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000349331330 456945203 /nfs/dbraw/zinc/94/52/03/456945203.db2.gz LIAMJZNWOSMLSW-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000341819525 456958234 /nfs/dbraw/zinc/95/82/34/456958234.db2.gz KBGCEHLQSFDRBF-UHFFFAOYSA-N 2 2 338.499 3.325 20 0 EGADLP COc1cc(C)nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349404594 456963197 /nfs/dbraw/zinc/96/31/97/456963197.db2.gz FLNUCUCQIMDEJC-UHFFFAOYSA-N 2 2 328.460 3.288 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1ccsc1 ZINC000345305499 456974103 /nfs/dbraw/zinc/97/41/03/456974103.db2.gz QIDTZQAGELAWKW-XLWVJDPXSA-N 2 2 344.484 3.027 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccccc2CN2CCCC2=O)c[nH+]1 ZINC000353945406 456975036 /nfs/dbraw/zinc/97/50/36/456975036.db2.gz QTNKFCSDNWKGQZ-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP CCc1nocc1C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000339177754 456978396 /nfs/dbraw/zinc/97/83/96/456978396.db2.gz DJWTUPYVKNTQDG-FQEVSTJZSA-N 2 2 327.472 3.410 20 0 EGADLP CCc1nocc1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000339177754 456978400 /nfs/dbraw/zinc/97/84/00/456978400.db2.gz DJWTUPYVKNTQDG-FQEVSTJZSA-N 2 2 327.472 3.410 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000354009469 457006046 /nfs/dbraw/zinc/00/60/46/457006046.db2.gz MNJPORCJEFWTDH-GOSISDBHSA-N 2 2 345.512 3.198 20 0 EGADLP C[C@H]1CCc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000354025740 457017635 /nfs/dbraw/zinc/01/76/35/457017635.db2.gz IUKBVGTXHNXCQH-DZGCQCFKSA-N 2 2 329.469 3.316 20 0 EGADLP C[C@H]1CCc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000354025740 457017640 /nfs/dbraw/zinc/01/76/40/457017640.db2.gz IUKBVGTXHNXCQH-DZGCQCFKSA-N 2 2 329.469 3.316 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000354045084 457030129 /nfs/dbraw/zinc/03/01/29/457030129.db2.gz PPUNGRNEYURFCZ-UHFFFAOYSA-N 2 2 335.923 3.330 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000354045084 457030134 /nfs/dbraw/zinc/03/01/34/457030134.db2.gz PPUNGRNEYURFCZ-UHFFFAOYSA-N 2 2 335.923 3.330 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477552 457046298 /nfs/dbraw/zinc/04/62/98/457046298.db2.gz DLHJLLLALVHSKB-QRWLVFNGSA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477552 457046306 /nfs/dbraw/zinc/04/63/06/457046306.db2.gz DLHJLLLALVHSKB-QRWLVFNGSA-N 2 2 325.431 3.384 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087774 457054754 /nfs/dbraw/zinc/05/47/54/457054754.db2.gz GARKGOBWJYRZBS-MRXNPFEDSA-N 2 2 342.462 3.380 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087774 457054761 /nfs/dbraw/zinc/05/47/61/457054761.db2.gz GARKGOBWJYRZBS-MRXNPFEDSA-N 2 2 342.462 3.380 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087774 457054766 /nfs/dbraw/zinc/05/47/66/457054766.db2.gz GARKGOBWJYRZBS-MRXNPFEDSA-N 2 2 342.462 3.380 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087774 457054770 /nfs/dbraw/zinc/05/47/70/457054770.db2.gz GARKGOBWJYRZBS-MRXNPFEDSA-N 2 2 342.462 3.380 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000339329006 457057226 /nfs/dbraw/zinc/05/72/26/457057226.db2.gz MENHEDKGGYTFKD-VQTJNVASSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000339329006 457057233 /nfs/dbraw/zinc/05/72/33/457057233.db2.gz MENHEDKGGYTFKD-VQTJNVASSA-N 2 2 344.886 3.373 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571815 457062328 /nfs/dbraw/zinc/06/23/28/457062328.db2.gz FMJIWLYLRDSPFC-RBUKOAKNSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571815 457062331 /nfs/dbraw/zinc/06/23/31/457062331.db2.gz FMJIWLYLRDSPFC-RBUKOAKNSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571815 457062337 /nfs/dbraw/zinc/06/23/37/457062337.db2.gz FMJIWLYLRDSPFC-RBUKOAKNSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571815 457062343 /nfs/dbraw/zinc/06/23/43/457062343.db2.gz FMJIWLYLRDSPFC-RBUKOAKNSA-N 2 2 343.515 3.236 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579835 457066063 /nfs/dbraw/zinc/06/60/63/457066063.db2.gz QSRAWBBKHAWNCH-OALUTQOASA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579835 457066068 /nfs/dbraw/zinc/06/60/68/457066068.db2.gz QSRAWBBKHAWNCH-OALUTQOASA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579835 457066073 /nfs/dbraw/zinc/06/60/73/457066073.db2.gz QSRAWBBKHAWNCH-OALUTQOASA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579835 457066078 /nfs/dbraw/zinc/06/60/78/457066078.db2.gz QSRAWBBKHAWNCH-OALUTQOASA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320830 457074205 /nfs/dbraw/zinc/07/42/05/457074205.db2.gz KNXDLVVXJTXRSG-PUECVXPYSA-N 2 2 329.444 3.303 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320830 457074209 /nfs/dbraw/zinc/07/42/09/457074209.db2.gz KNXDLVVXJTXRSG-PUECVXPYSA-N 2 2 329.444 3.303 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000354177076 457111828 /nfs/dbraw/zinc/11/18/28/457111828.db2.gz YPFDKUMNBJYCHX-LJQANCHMSA-N 2 2 339.483 3.447 20 0 EGADLP CN(C)[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccsc1 ZINC000359683882 457113280 /nfs/dbraw/zinc/11/32/80/457113280.db2.gz YPGAIZWYHJIXTQ-LJQANCHMSA-N 2 2 344.528 3.000 20 0 EGADLP C[C@@H](NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1)c1ccc(Cl)cc1Cl ZINC000342115461 457115975 /nfs/dbraw/zinc/11/59/75/457115975.db2.gz XRBQRPXYXZBLPO-MNOVXSKESA-N 2 2 344.286 3.030 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434965 457117149 /nfs/dbraw/zinc/11/71/49/457117149.db2.gz YXQFPUQPNHDECW-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434965 457117151 /nfs/dbraw/zinc/11/71/51/457117151.db2.gz YXQFPUQPNHDECW-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339434965 457117153 /nfs/dbraw/zinc/11/71/53/457117153.db2.gz YXQFPUQPNHDECW-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339434965 457117156 /nfs/dbraw/zinc/11/71/56/457117156.db2.gz YXQFPUQPNHDECW-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC(F)F ZINC000339437299 457118143 /nfs/dbraw/zinc/11/81/43/457118143.db2.gz MYHXIKMUBGQDPS-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC(F)F ZINC000339437299 457118147 /nfs/dbraw/zinc/11/81/47/457118147.db2.gz MYHXIKMUBGQDPS-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OC(F)F ZINC000339437299 457118150 /nfs/dbraw/zinc/11/81/50/457118150.db2.gz MYHXIKMUBGQDPS-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OC(F)F ZINC000339437299 457118153 /nfs/dbraw/zinc/11/81/53/457118153.db2.gz MYHXIKMUBGQDPS-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000354198748 457125488 /nfs/dbraw/zinc/12/54/88/457125488.db2.gz LLLDSTDQCNOAIX-GOSISDBHSA-N 3 2 330.520 3.152 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203304 457126916 /nfs/dbraw/zinc/12/69/16/457126916.db2.gz AZCYKRUMCGFEJL-AZUAARDMSA-N 2 2 345.531 3.228 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203304 457126923 /nfs/dbraw/zinc/12/69/23/457126923.db2.gz AZCYKRUMCGFEJL-AZUAARDMSA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203304 457126928 /nfs/dbraw/zinc/12/69/28/457126928.db2.gz AZCYKRUMCGFEJL-AZUAARDMSA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000354203304 457126932 /nfs/dbraw/zinc/12/69/32/457126932.db2.gz AZCYKRUMCGFEJL-AZUAARDMSA-N 2 2 345.531 3.228 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226701 457141840 /nfs/dbraw/zinc/14/18/40/457141840.db2.gz XLQMLLVWRDWGPO-FCEWJHQRSA-N 2 2 349.494 3.150 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226701 457141849 /nfs/dbraw/zinc/14/18/49/457141849.db2.gz XLQMLLVWRDWGPO-FCEWJHQRSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226701 457141855 /nfs/dbraw/zinc/14/18/55/457141855.db2.gz XLQMLLVWRDWGPO-FCEWJHQRSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@@H]1C ZINC000354226701 457141859 /nfs/dbraw/zinc/14/18/59/457141859.db2.gz XLQMLLVWRDWGPO-FCEWJHQRSA-N 2 2 349.494 3.150 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000356863096 457184146 /nfs/dbraw/zinc/18/41/46/457184146.db2.gz WALLXFMKQZEOTP-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000356863096 457184150 /nfs/dbraw/zinc/18/41/50/457184150.db2.gz WALLXFMKQZEOTP-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000356863096 457184155 /nfs/dbraw/zinc/18/41/55/457184155.db2.gz WALLXFMKQZEOTP-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000356863096 457184158 /nfs/dbraw/zinc/18/41/58/457184158.db2.gz WALLXFMKQZEOTP-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000339661928 457199960 /nfs/dbraw/zinc/19/99/60/457199960.db2.gz SMEHKBSSJXCELU-OAHLLOKOSA-N 2 2 329.444 3.151 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000339661928 457199969 /nfs/dbraw/zinc/19/99/69/457199969.db2.gz SMEHKBSSJXCELU-OAHLLOKOSA-N 2 2 329.444 3.151 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000360014244 457203756 /nfs/dbraw/zinc/20/37/56/457203756.db2.gz CKJIVKOKVNSFAK-MRXNPFEDSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000360014244 457203761 /nfs/dbraw/zinc/20/37/61/457203761.db2.gz CKJIVKOKVNSFAK-MRXNPFEDSA-N 2 2 339.439 3.349 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000360028571 457211560 /nfs/dbraw/zinc/21/15/60/457211560.db2.gz GFIOVTPQUZLVMS-HZPDHXFCSA-N 2 2 343.475 3.496 20 0 EGADLP CC[NH+](CC)[C@H](C)CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354437064 457221453 /nfs/dbraw/zinc/22/14/53/457221453.db2.gz UYWYODGWEUHUID-OAHLLOKOSA-N 2 2 342.487 3.150 20 0 EGADLP COC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000360045587 457222977 /nfs/dbraw/zinc/22/29/77/457222977.db2.gz LIIXVOUSDDTUOC-IUODEOHRSA-N 2 2 327.350 3.268 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000347110542 457234560 /nfs/dbraw/zinc/23/45/60/457234560.db2.gz PVHBEPRLFFFGSQ-QFBILLFUSA-N 2 2 345.487 3.104 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000347110542 457234564 /nfs/dbraw/zinc/23/45/64/457234564.db2.gz PVHBEPRLFFFGSQ-QFBILLFUSA-N 2 2 345.487 3.104 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1C ZINC000354486728 457253380 /nfs/dbraw/zinc/25/33/80/457253380.db2.gz BCIWIQLWCPJBPE-FFGOWVMKSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H]1C ZINC000354486728 457253386 /nfs/dbraw/zinc/25/33/86/457253386.db2.gz BCIWIQLWCPJBPE-FFGOWVMKSA-N 2 2 344.499 3.218 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000356996883 457265278 /nfs/dbraw/zinc/26/52/78/457265278.db2.gz QYPPOPAYSMKJFS-RDTXWAMCSA-N 2 2 341.434 3.079 20 0 EGADLP CC(C)C[C@@H](CN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)[NH+](C)C ZINC000357003703 457269112 /nfs/dbraw/zinc/26/91/12/457269112.db2.gz ZUYUCQIMKPLZCV-ZWKOTPCHSA-N 2 2 332.467 3.215 20 0 EGADLP C[C@@](O)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000363431723 457325626 /nfs/dbraw/zinc/32/56/26/457325626.db2.gz XJUGETNCRLDPGL-FXAWDEMLSA-N 2 2 328.456 3.130 20 0 EGADLP C[C@@](O)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000363431723 457325631 /nfs/dbraw/zinc/32/56/31/457325631.db2.gz XJUGETNCRLDPGL-FXAWDEMLSA-N 2 2 328.456 3.130 20 0 EGADLP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000363451093 457334263 /nfs/dbraw/zinc/33/42/63/457334263.db2.gz WKEUBJOJMBAFHX-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccn1 ZINC000363451093 457334267 /nfs/dbraw/zinc/33/42/67/457334267.db2.gz WKEUBJOJMBAFHX-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000363451093 457334272 /nfs/dbraw/zinc/33/42/72/457334272.db2.gz WKEUBJOJMBAFHX-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000363451093 457334276 /nfs/dbraw/zinc/33/42/76/457334276.db2.gz WKEUBJOJMBAFHX-LJQANCHMSA-N 2 2 325.456 3.044 20 0 EGADLP Cc1cnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352439121 457368663 /nfs/dbraw/zinc/36/86/63/457368663.db2.gz JUSRLTWYPWBIFR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352439121 457368667 /nfs/dbraw/zinc/36/86/67/457368667.db2.gz JUSRLTWYPWBIFR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352439121 457368669 /nfs/dbraw/zinc/36/86/69/457368669.db2.gz JUSRLTWYPWBIFR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000352439121 457368673 /nfs/dbraw/zinc/36/86/73/457368673.db2.gz JUSRLTWYPWBIFR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447226 457374489 /nfs/dbraw/zinc/37/44/89/457374489.db2.gz JNUVTPRJWSOCAD-QXAKKESOSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447226 457374493 /nfs/dbraw/zinc/37/44/93/457374493.db2.gz JNUVTPRJWSOCAD-QXAKKESOSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447226 457374499 /nfs/dbraw/zinc/37/44/99/457374499.db2.gz JNUVTPRJWSOCAD-QXAKKESOSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447226 457374504 /nfs/dbraw/zinc/37/45/04/457374504.db2.gz JNUVTPRJWSOCAD-QXAKKESOSA-N 2 2 325.456 3.498 20 0 EGADLP CCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360883622 457406931 /nfs/dbraw/zinc/40/69/31/457406931.db2.gz OIUUQVBRUNGMAQ-XLIONFOSSA-N 2 2 345.531 3.232 20 0 EGADLP CCCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360883622 457406935 /nfs/dbraw/zinc/40/69/35/457406935.db2.gz OIUUQVBRUNGMAQ-XLIONFOSSA-N 2 2 345.531 3.232 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1)C1CC1 ZINC000357287000 457423205 /nfs/dbraw/zinc/42/32/05/457423205.db2.gz IHEIJUYUVVGHLW-UHFFFAOYSA-N 2 2 338.455 3.384 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1)C1CC1 ZINC000357287000 457423212 /nfs/dbraw/zinc/42/32/12/457423212.db2.gz IHEIJUYUVVGHLW-UHFFFAOYSA-N 2 2 338.455 3.384 20 0 EGADLP C[C@@H]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c2ccccc2S1 ZINC000352507411 457426778 /nfs/dbraw/zinc/42/67/78/457426778.db2.gz CFGDTFDPFHSDBK-CVEARBPZSA-N 2 2 347.528 3.107 20 0 EGADLP C[C@@H]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c2ccccc2S1 ZINC000352507411 457426781 /nfs/dbraw/zinc/42/67/81/457426781.db2.gz CFGDTFDPFHSDBK-CVEARBPZSA-N 2 2 347.528 3.107 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)sc1Br ZINC000352536103 457447877 /nfs/dbraw/zinc/44/78/77/457447877.db2.gz ZKWDPNSUSMLNCI-CQSZACIVSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)sc1Br ZINC000352536103 457447880 /nfs/dbraw/zinc/44/78/80/457447880.db2.gz ZKWDPNSUSMLNCI-CQSZACIVSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)sc1Br ZINC000352536102 457448137 /nfs/dbraw/zinc/44/81/37/457448137.db2.gz ZKWDPNSUSMLNCI-AWEZNQCLSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)sc1Br ZINC000352536102 457448143 /nfs/dbraw/zinc/44/81/43/457448143.db2.gz ZKWDPNSUSMLNCI-AWEZNQCLSA-N 2 2 329.307 3.395 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(COC)s1 ZINC000357362238 457473467 /nfs/dbraw/zinc/47/34/67/457473467.db2.gz ZRSGFCFAQOGPMR-HOCLYGCPSA-N 2 2 325.522 3.280 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(COC)s1 ZINC000357362236 457473346 /nfs/dbraw/zinc/47/33/46/457473346.db2.gz ZRSGFCFAQOGPMR-GDBMZVCRSA-N 2 2 325.522 3.280 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000397313202 457486760 /nfs/dbraw/zinc/48/67/60/457486760.db2.gz KAXFJJFGTDETGJ-BZPMIXESSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000397313202 457486766 /nfs/dbraw/zinc/48/67/66/457486766.db2.gz KAXFJJFGTDETGJ-BZPMIXESSA-N 2 2 334.851 3.195 20 0 EGADLP c1cn2c(cccc2CN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)[nH+]1 ZINC000425356610 457515134 /nfs/dbraw/zinc/51/51/34/457515134.db2.gz WQKXPLNUHPHYFK-AZUAARDMSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2c(cccc2CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)[nH+]1 ZINC000425356610 457515142 /nfs/dbraw/zinc/51/51/42/457515142.db2.gz WQKXPLNUHPHYFK-AZUAARDMSA-N 2 2 332.451 3.041 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000342777540 457518031 /nfs/dbraw/zinc/51/80/31/457518031.db2.gz IFNSVHKGFLBPCG-QGZVFWFLSA-N 2 2 332.488 3.372 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401067315 457521929 /nfs/dbraw/zinc/52/19/29/457521929.db2.gz JACMRMPCWYSELX-XUVXKRRUSA-N 3 2 327.516 3.019 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000401067315 457521934 /nfs/dbraw/zinc/52/19/34/457521934.db2.gz JACMRMPCWYSELX-XUVXKRRUSA-N 3 2 327.516 3.019 20 0 EGADLP CC(C)Cc1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361072384 457564709 /nfs/dbraw/zinc/56/47/09/457564709.db2.gz GRLGDDWDVXULAD-UHFFFAOYSA-N 2 2 331.464 3.157 20 0 EGADLP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)c[nH+]1 ZINC000361075529 457567375 /nfs/dbraw/zinc/56/73/75/457567375.db2.gz ZLGNHCIFDOTADC-UHFFFAOYSA-N 2 2 327.403 3.347 20 0 EGADLP COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352738398 457572823 /nfs/dbraw/zinc/57/28/23/457572823.db2.gz MNDXMBFGUHVHED-UGSOOPFHSA-N 2 2 349.500 3.079 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)s1 ZINC000347648002 457573808 /nfs/dbraw/zinc/57/38/08/457573808.db2.gz GAZURUMLJSGMIR-UHFFFAOYSA-N 2 2 341.427 3.438 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)s1 ZINC000347648002 457573813 /nfs/dbraw/zinc/57/38/13/457573813.db2.gz GAZURUMLJSGMIR-UHFFFAOYSA-N 2 2 341.427 3.438 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000374516776 457646987 /nfs/dbraw/zinc/64/69/87/457646987.db2.gz AAEVFOKRXSAZMF-LJQANCHMSA-N 3 2 326.488 3.164 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000374516776 457646990 /nfs/dbraw/zinc/64/69/90/457646990.db2.gz AAEVFOKRXSAZMF-LJQANCHMSA-N 3 2 326.488 3.164 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425904219 457649819 /nfs/dbraw/zinc/64/98/19/457649819.db2.gz XKSJAMQRQSKXJS-MJGOQNOKSA-N 3 2 348.535 3.132 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000361221765 457652740 /nfs/dbraw/zinc/65/27/40/457652740.db2.gz VGPBXIZZVMZAJP-FQEVSTJZSA-N 2 2 330.516 3.487 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374538855 457653053 /nfs/dbraw/zinc/65/30/53/457653053.db2.gz SGZPUDBDCQSQJG-PKOBYXMFSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374538855 457653060 /nfs/dbraw/zinc/65/30/60/457653060.db2.gz SGZPUDBDCQSQJG-PKOBYXMFSA-N 2 2 345.531 3.037 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283532 457678324 /nfs/dbraw/zinc/67/83/24/457678324.db2.gz YPKWEGGCPIUJSB-LIRRHRJNSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283532 457678325 /nfs/dbraw/zinc/67/83/25/457678325.db2.gz YPKWEGGCPIUJSB-LIRRHRJNSA-N 2 2 329.419 3.443 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1Cl ZINC000357908338 457730842 /nfs/dbraw/zinc/73/08/42/457730842.db2.gz GFZNMLLKXDDDJT-UHFFFAOYSA-N 2 2 342.830 3.231 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000365356311 457747933 /nfs/dbraw/zinc/74/79/33/457747933.db2.gz HAYJPFRPDQMXKP-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000365356311 457747937 /nfs/dbraw/zinc/74/79/37/457747937.db2.gz HAYJPFRPDQMXKP-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP C[N@@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443405363 457757786 /nfs/dbraw/zinc/75/77/86/457757786.db2.gz JSAFRADJUHFGIR-UHFFFAOYSA-N 2 2 338.224 3.278 20 0 EGADLP C[N@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443405363 457757796 /nfs/dbraw/zinc/75/77/96/457757796.db2.gz JSAFRADJUHFGIR-UHFFFAOYSA-N 2 2 338.224 3.278 20 0 EGADLP CCC(CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)[NH+]1CCCC1 ZINC000457607965 457763638 /nfs/dbraw/zinc/76/36/38/457763638.db2.gz IMNRTLSHDGAGDX-UAGQMJEPSA-N 2 2 347.507 3.089 20 0 EGADLP Cc1ccc([C@H](CNc2[nH+]c3cccc(F)c3n2C)[NH+]2CCCC2)o1 ZINC000443508601 457771880 /nfs/dbraw/zinc/77/18/80/457771880.db2.gz FWYIAGYHGRKWTK-INIZCTEOSA-N 2 2 342.418 3.285 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)oc1C ZINC000433201110 457777923 /nfs/dbraw/zinc/77/79/23/457777923.db2.gz USZFKMHKACIVQU-AWEZNQCLSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)oc1C ZINC000433201110 457777925 /nfs/dbraw/zinc/77/79/25/457777925.db2.gz USZFKMHKACIVQU-AWEZNQCLSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+](C)CCC[N@H+](C)Cc2ccco2)oc1C ZINC000433201110 457777932 /nfs/dbraw/zinc/77/79/32/457777932.db2.gz USZFKMHKACIVQU-AWEZNQCLSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)oc1C ZINC000433201110 457777936 /nfs/dbraw/zinc/77/79/36/457777936.db2.gz USZFKMHKACIVQU-AWEZNQCLSA-N 2 2 348.443 3.483 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358087979 457779075 /nfs/dbraw/zinc/77/90/75/457779075.db2.gz RFUVCZDCFHDDNM-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358087979 457779082 /nfs/dbraw/zinc/77/90/82/457779082.db2.gz RFUVCZDCFHDDNM-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ncc(Br)s1 ZINC000371118011 457795760 /nfs/dbraw/zinc/79/57/60/457795760.db2.gz IIWOPBUVUVMIHX-AXFHLTTASA-N 2 2 330.295 3.183 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ncc(Br)s1 ZINC000371118011 457795766 /nfs/dbraw/zinc/79/57/66/457795766.db2.gz IIWOPBUVUVMIHX-AXFHLTTASA-N 2 2 330.295 3.183 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426296950 457802897 /nfs/dbraw/zinc/80/28/97/457802897.db2.gz VNRNNKMTBMXATI-CZUORRHYSA-N 2 2 337.305 3.454 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426296950 457802905 /nfs/dbraw/zinc/80/29/05/457802905.db2.gz VNRNNKMTBMXATI-CZUORRHYSA-N 2 2 337.305 3.454 20 0 EGADLP Fc1cc(-c2ncco2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000411286908 457850190 /nfs/dbraw/zinc/85/01/90/457850190.db2.gz XJNRTISSUIMUOW-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1cc(-c2ncco2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000411286908 457850192 /nfs/dbraw/zinc/85/01/92/457850192.db2.gz XJNRTISSUIMUOW-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccncc12)c1ccccc1Cl ZINC000444115920 457854000 /nfs/dbraw/zinc/85/40/00/457854000.db2.gz NWLAXVXRQUWXRH-SFHVURJKSA-N 2 2 326.831 3.420 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358238188 457878971 /nfs/dbraw/zinc/87/89/71/457878971.db2.gz MKKQIGKLVCQSBI-LCLWPZTBSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358238188 457878978 /nfs/dbraw/zinc/87/89/78/457878978.db2.gz MKKQIGKLVCQSBI-LCLWPZTBSA-N 2 2 345.531 3.475 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000361836537 457897199 /nfs/dbraw/zinc/89/71/99/457897199.db2.gz GGLKSIZREJXTRE-PKOBYXMFSA-N 3 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000361836537 457897203 /nfs/dbraw/zinc/89/72/03/457897203.db2.gz GGLKSIZREJXTRE-PKOBYXMFSA-N 3 2 326.488 3.485 20 0 EGADLP CC(C)[N@H+](CCC[NH+]1CCCCC1)CC(=O)Nc1ccc(F)cc1 ZINC000444572579 457911835 /nfs/dbraw/zinc/91/18/35/457911835.db2.gz ULCSYXXBUUHMMZ-UHFFFAOYSA-N 2 2 335.467 3.351 20 0 EGADLP CC(C)[N@@H+](CCC[NH+]1CCCCC1)CC(=O)Nc1ccc(F)cc1 ZINC000444572579 457911839 /nfs/dbraw/zinc/91/18/39/457911839.db2.gz ULCSYXXBUUHMMZ-UHFFFAOYSA-N 2 2 335.467 3.351 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1nc2c(s1)CCCC2 ZINC000358305522 457922985 /nfs/dbraw/zinc/92/29/85/457922985.db2.gz VFIQJGIHDFGZBX-JQFCIGGWSA-N 2 2 349.544 3.050 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427129033 457947209 /nfs/dbraw/zinc/94/72/09/457947209.db2.gz SMJBFYOEGMJZGY-TZIWHRDSSA-N 2 2 338.499 3.040 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427129033 457947214 /nfs/dbraw/zinc/94/72/14/457947214.db2.gz SMJBFYOEGMJZGY-TZIWHRDSSA-N 2 2 338.499 3.040 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@]12CCCO2 ZINC000358571771 458083665 /nfs/dbraw/zinc/08/36/65/458083665.db2.gz PZOTUQXUALGPSU-JOZSIVFUSA-N 2 2 344.499 3.138 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@]12CCCO2 ZINC000358571771 458083671 /nfs/dbraw/zinc/08/36/71/458083671.db2.gz PZOTUQXUALGPSU-JOZSIVFUSA-N 2 2 344.499 3.138 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000375863840 458101066 /nfs/dbraw/zinc/10/10/66/458101066.db2.gz YQWYDESKRPCKMQ-INIZCTEOSA-N 2 2 343.475 3.019 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369660 458123252 /nfs/dbraw/zinc/12/32/52/458123252.db2.gz GBEWAQAEIJCVJH-VXGBXAGGSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369660 458123258 /nfs/dbraw/zinc/12/32/58/458123258.db2.gz GBEWAQAEIJCVJH-VXGBXAGGSA-N 2 2 349.276 3.008 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000435383113 458130001 /nfs/dbraw/zinc/13/00/01/458130001.db2.gz FCZMMPCIBQRZGR-KXBFYZLASA-N 2 2 325.456 3.459 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000435383113 458130004 /nfs/dbraw/zinc/13/00/04/458130004.db2.gz FCZMMPCIBQRZGR-KXBFYZLASA-N 2 2 325.456 3.459 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000428434915 458142182 /nfs/dbraw/zinc/14/21/82/458142182.db2.gz BDMFEOYSDJRCFE-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000428434915 458142187 /nfs/dbraw/zinc/14/21/87/458142187.db2.gz BDMFEOYSDJRCFE-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000428434915 458142192 /nfs/dbraw/zinc/14/21/92/458142192.db2.gz BDMFEOYSDJRCFE-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000428434915 458142199 /nfs/dbraw/zinc/14/21/99/458142199.db2.gz BDMFEOYSDJRCFE-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000435437311 458146478 /nfs/dbraw/zinc/14/64/78/458146478.db2.gz KDYJOXZATLHXLF-MRXNPFEDSA-N 2 2 331.485 3.393 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000435437311 458146486 /nfs/dbraw/zinc/14/64/86/458146486.db2.gz KDYJOXZATLHXLF-MRXNPFEDSA-N 2 2 331.485 3.393 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435615865 458175003 /nfs/dbraw/zinc/17/50/03/458175003.db2.gz QWDDZVIACCXLDN-ZDUSSCGKSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435615865 458175011 /nfs/dbraw/zinc/17/50/11/458175011.db2.gz QWDDZVIACCXLDN-ZDUSSCGKSA-N 2 2 343.393 3.108 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CCCC(C)(C)C2)cc1O ZINC000446850127 458236403 /nfs/dbraw/zinc/23/64/03/458236403.db2.gz VXWPHUGUQAAMQD-MRXNPFEDSA-N 2 2 334.504 3.434 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CCCC(C)(C)C2)cc1O ZINC000446850127 458236413 /nfs/dbraw/zinc/23/64/13/458236413.db2.gz VXWPHUGUQAAMQD-MRXNPFEDSA-N 2 2 334.504 3.434 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@H](C)c3ccccc3)CC2)c1 ZINC000447747592 458336465 /nfs/dbraw/zinc/33/64/65/458336465.db2.gz USXQSUXZQCORSP-KRWDZBQOSA-N 2 2 325.456 3.406 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC(F)F ZINC000376725527 458376076 /nfs/dbraw/zinc/37/60/76/458376076.db2.gz DDMAYWDRYLLXFU-UHFFFAOYSA-N 2 2 337.370 3.119 20 0 EGADLP CCCCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000430138716 458409381 /nfs/dbraw/zinc/40/93/81/458409381.db2.gz IFIZTWIJOULCSZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000430138716 458409383 /nfs/dbraw/zinc/40/93/83/458409383.db2.gz IFIZTWIJOULCSZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000430138716 458409385 /nfs/dbraw/zinc/40/93/85/458409385.db2.gz IFIZTWIJOULCSZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000430138716 458409388 /nfs/dbraw/zinc/40/93/88/458409388.db2.gz IFIZTWIJOULCSZ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000373224916 458435061 /nfs/dbraw/zinc/43/50/61/458435061.db2.gz AMONSIFBIXLSRP-CQSZACIVSA-N 2 2 341.484 3.386 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000373224916 458435066 /nfs/dbraw/zinc/43/50/66/458435066.db2.gz AMONSIFBIXLSRP-CQSZACIVSA-N 2 2 341.484 3.386 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)oc21 ZINC000373224354 458435373 /nfs/dbraw/zinc/43/53/73/458435373.db2.gz SLPUSOCSIJJBTQ-UAGQMJEPSA-N 2 2 344.455 3.345 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)oc21 ZINC000373224354 458435375 /nfs/dbraw/zinc/43/53/75/458435375.db2.gz SLPUSOCSIJJBTQ-UAGQMJEPSA-N 2 2 344.455 3.345 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423500684 458444756 /nfs/dbraw/zinc/44/47/56/458444756.db2.gz DAMVVPMGPBLZCZ-RRQGHBQHSA-N 2 2 345.512 3.047 20 0 EGADLP Clc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423514585 458449187 /nfs/dbraw/zinc/44/91/87/458449187.db2.gz DJASWBILMAOWKG-OALUTQOASA-N 2 2 330.859 3.202 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1C[NH3+] ZINC000430557560 458460596 /nfs/dbraw/zinc/46/05/96/458460596.db2.gz SOMUOVDLFLBKDO-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H]1C[NH3+] ZINC000430557560 458460603 /nfs/dbraw/zinc/46/06/03/458460603.db2.gz SOMUOVDLFLBKDO-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559567 458460719 /nfs/dbraw/zinc/46/07/19/458460719.db2.gz DMNWPCSSXAXVDJ-TZMCWYRMSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559567 458460722 /nfs/dbraw/zinc/46/07/22/458460722.db2.gz DMNWPCSSXAXVDJ-TZMCWYRMSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000430581649 458466326 /nfs/dbraw/zinc/46/63/26/458466326.db2.gz UXAPLCVTCKGYQE-GOSISDBHSA-N 2 2 344.478 3.305 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000430581649 458466333 /nfs/dbraw/zinc/46/63/33/458466333.db2.gz UXAPLCVTCKGYQE-GOSISDBHSA-N 2 2 344.478 3.305 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611870 458471641 /nfs/dbraw/zinc/47/16/41/458471641.db2.gz PXKYFQADMAFIHO-MAUKXSAKSA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611870 458471644 /nfs/dbraw/zinc/47/16/44/458471644.db2.gz PXKYFQADMAFIHO-MAUKXSAKSA-N 2 2 349.494 3.090 20 0 EGADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000423809406 458488472 /nfs/dbraw/zinc/48/84/72/458488472.db2.gz KEFNMLFNLSQYCL-SFHVURJKSA-N 2 2 334.423 3.398 20 0 EGADLP C[C@@H](Cc1ccccc1F)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000437789201 458493755 /nfs/dbraw/zinc/49/37/55/458493755.db2.gz VIJLWDHGJHOOCE-YJBOKZPZSA-N 2 2 342.462 3.404 20 0 EGADLP c1cn2c(cccc2C[N@H+](CCc2ccccn2)Cc2cccnc2)[nH+]1 ZINC000430884439 458500995 /nfs/dbraw/zinc/50/09/95/458500995.db2.gz WSFUOMALMDXIJU-UHFFFAOYSA-N 2 2 343.434 3.369 20 0 EGADLP c1cn2c(cccc2C[N@@H+](CCc2ccccn2)Cc2cccnc2)[nH+]1 ZINC000430884439 458500997 /nfs/dbraw/zinc/50/09/97/458500997.db2.gz WSFUOMALMDXIJU-UHFFFAOYSA-N 2 2 343.434 3.369 20 0 EGADLP C[C@@H]1C[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430944911 458508748 /nfs/dbraw/zinc/50/87/48/458508748.db2.gz OPKHRKBHWGMGJI-ATZDWAIDSA-N 2 2 348.450 3.495 20 0 EGADLP C[C@@H]1C[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430944911 458508753 /nfs/dbraw/zinc/50/87/53/458508753.db2.gz OPKHRKBHWGMGJI-ATZDWAIDSA-N 2 2 348.450 3.495 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000431026761 458518702 /nfs/dbraw/zinc/51/87/02/458518702.db2.gz YBXZMLVJAWOZPY-INIZCTEOSA-N 2 2 344.459 3.445 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000431085359 458526803 /nfs/dbraw/zinc/52/68/03/458526803.db2.gz KDQXUJYZUJFCSF-UHFFFAOYSA-N 2 2 331.504 3.387 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000431085359 458526806 /nfs/dbraw/zinc/52/68/06/458526806.db2.gz KDQXUJYZUJFCSF-UHFFFAOYSA-N 2 2 331.504 3.387 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000431082406 458526848 /nfs/dbraw/zinc/52/68/48/458526848.db2.gz IURRVMTUQSJPEQ-LJQANCHMSA-N 2 2 328.460 3.108 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)n1 ZINC000431082406 458526853 /nfs/dbraw/zinc/52/68/53/458526853.db2.gz IURRVMTUQSJPEQ-LJQANCHMSA-N 2 2 328.460 3.108 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468561042 458527008 /nfs/dbraw/zinc/52/70/08/458527008.db2.gz RGBVPPCCQFAXSQ-QUCCMNQESA-N 2 2 330.516 3.429 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468561042 458527013 /nfs/dbraw/zinc/52/70/13/458527013.db2.gz RGBVPPCCQFAXSQ-QUCCMNQESA-N 2 2 330.516 3.429 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468561041 458527059 /nfs/dbraw/zinc/52/70/59/458527059.db2.gz RGBVPPCCQFAXSQ-ICSRJNTNSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468561041 458527063 /nfs/dbraw/zinc/52/70/63/458527063.db2.gz RGBVPPCCQFAXSQ-ICSRJNTNSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000438165812 458545028 /nfs/dbraw/zinc/54/50/28/458545028.db2.gz LXMRDQYDSNOTMQ-HOCLYGCPSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000438165812 458545032 /nfs/dbraw/zinc/54/50/32/458545032.db2.gz LXMRDQYDSNOTMQ-HOCLYGCPSA-N 2 2 340.427 3.478 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)/C=C\c2[nH]cc[nH+]2)c1 ZINC000493839957 458583481 /nfs/dbraw/zinc/58/34/81/458583481.db2.gz VAGHPZIWNZZGAF-KTKRTIGZSA-N 2 2 340.471 3.361 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)/C=C\c2[nH]cc[nH+]2)c1 ZINC000493839957 458583484 /nfs/dbraw/zinc/58/34/84/458583484.db2.gz VAGHPZIWNZZGAF-KTKRTIGZSA-N 2 2 340.471 3.361 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000438559695 458598543 /nfs/dbraw/zinc/59/85/43/458598543.db2.gz BKBKNHNIIVQVQJ-UHFFFAOYSA-N 2 2 348.450 3.288 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCc3ccccc3OC2)[nH+]1 ZINC000493910204 458598656 /nfs/dbraw/zinc/59/86/56/458598656.db2.gz ZPRPBNDIFRUGHE-FQEVSTJZSA-N 2 2 347.462 3.457 20 0 EGADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000469900379 458600363 /nfs/dbraw/zinc/60/03/63/458600363.db2.gz VSTZYKGWGZZOPV-HXUWFJFHSA-N 2 2 330.516 3.397 20 0 EGADLP CC(C)c1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000469900379 458600366 /nfs/dbraw/zinc/60/03/66/458600366.db2.gz VSTZYKGWGZZOPV-HXUWFJFHSA-N 2 2 330.516 3.397 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000424330446 458617744 /nfs/dbraw/zinc/61/77/44/458617744.db2.gz HZUDBMJZQPCTHE-VCTAVGKDSA-N 2 2 344.286 3.030 20 0 EGADLP CCCc1csc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045686 458619237 /nfs/dbraw/zinc/61/92/37/458619237.db2.gz BULODYJPKQHJOF-NVXWUHKLSA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1csc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045686 458619242 /nfs/dbraw/zinc/61/92/42/458619242.db2.gz BULODYJPKQHJOF-NVXWUHKLSA-N 2 2 339.549 3.322 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000424334174 458619554 /nfs/dbraw/zinc/61/95/54/458619554.db2.gz NECKMXSZLHGLCQ-SFHLNBCPSA-N 2 2 343.515 3.284 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cc(Cl)ccc1Cl ZINC000424339024 458621326 /nfs/dbraw/zinc/62/13/26/458621326.db2.gz VELWCZCWYFUKRJ-ZWKOPEQDSA-N 2 2 330.259 3.180 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)c2[nH+]ccn21 ZINC000456363973 458648422 /nfs/dbraw/zinc/64/84/22/458648422.db2.gz FQSRVYYXEFNFAQ-SWLSCSKDSA-N 2 2 338.411 3.127 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924618 458668225 /nfs/dbraw/zinc/66/82/25/458668225.db2.gz KIBHZFICEUYHQU-SJLPKXTDSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924618 458668231 /nfs/dbraw/zinc/66/82/31/458668231.db2.gz KIBHZFICEUYHQU-SJLPKXTDSA-N 2 2 343.519 3.389 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177944 458709044 /nfs/dbraw/zinc/70/90/44/458709044.db2.gz LVSMYAHOZGWLRI-HXUWFJFHSA-N 2 2 338.499 3.231 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1OC(F)F ZINC000530218904 458722005 /nfs/dbraw/zinc/72/20/05/458722005.db2.gz JXVDKJNBODLRKL-XHDPSFHLSA-N 2 2 326.387 3.232 20 0 EGADLP C[N@H+](CCC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000547429416 458737279 /nfs/dbraw/zinc/73/72/79/458737279.db2.gz ORLFDTSAJLAVHN-UHFFFAOYSA-N 2 2 340.471 3.143 20 0 EGADLP C[N@@H+](CCC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000547429416 458737288 /nfs/dbraw/zinc/73/72/88/458737288.db2.gz ORLFDTSAJLAVHN-UHFFFAOYSA-N 2 2 340.471 3.143 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827898 458794450 /nfs/dbraw/zinc/79/44/50/458794450.db2.gz HBVQIKGZHDROOA-CJNGLKHVSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827898 458794456 /nfs/dbraw/zinc/79/44/56/458794456.db2.gz HBVQIKGZHDROOA-CJNGLKHVSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)oc1C ZINC000432827898 458794464 /nfs/dbraw/zinc/79/44/64/458794464.db2.gz HBVQIKGZHDROOA-CJNGLKHVSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)oc1C ZINC000432827898 458794468 /nfs/dbraw/zinc/79/44/68/458794468.db2.gz HBVQIKGZHDROOA-CJNGLKHVSA-N 2 2 334.460 3.099 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)cc2c1C ZINC000473141328 458822144 /nfs/dbraw/zinc/82/21/44/458822144.db2.gz RHFNJJMFFOLHRY-MRXNPFEDSA-N 2 2 341.499 3.470 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc2c1C ZINC000473141328 458822145 /nfs/dbraw/zinc/82/21/45/458822145.db2.gz RHFNJJMFFOLHRY-MRXNPFEDSA-N 2 2 341.499 3.470 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)[NH+](C)C)cc1 ZINC000474474254 458888210 /nfs/dbraw/zinc/88/82/10/458888210.db2.gz LCZBIGDAOXSBQN-NMLACTOBSA-N 2 2 346.515 3.419 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(-c3ccccn3)s1)CCC2 ZINC000531479208 458924221 /nfs/dbraw/zinc/92/42/21/458924221.db2.gz PLXFWRHFECARSS-CQSZACIVSA-N 2 2 339.468 3.377 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368319 458927732 /nfs/dbraw/zinc/92/77/32/458927732.db2.gz SIBYAZKSYZWDDV-FPOVZHCZSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368319 458927738 /nfs/dbraw/zinc/92/77/38/458927738.db2.gz SIBYAZKSYZWDDV-FPOVZHCZSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441368319 458927742 /nfs/dbraw/zinc/92/77/42/458927742.db2.gz SIBYAZKSYZWDDV-FPOVZHCZSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441368319 458927746 /nfs/dbraw/zinc/92/77/46/458927746.db2.gz SIBYAZKSYZWDDV-FPOVZHCZSA-N 2 2 345.531 3.306 20 0 EGADLP Cn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(-c2ccc(F)cc2)n1 ZINC000556166294 458934308 /nfs/dbraw/zinc/93/43/08/458934308.db2.gz OJBAPKQCQGUGNW-UHFFFAOYSA-N 2 2 339.418 3.049 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417070 458939826 /nfs/dbraw/zinc/93/98/26/458939826.db2.gz FJJGGDQCEHFWSA-ICSRJNTNSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417070 458939833 /nfs/dbraw/zinc/93/98/33/458939833.db2.gz FJJGGDQCEHFWSA-ICSRJNTNSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417070 458939837 /nfs/dbraw/zinc/93/98/37/458939837.db2.gz FJJGGDQCEHFWSA-ICSRJNTNSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441417070 458939845 /nfs/dbraw/zinc/93/98/45/458939845.db2.gz FJJGGDQCEHFWSA-ICSRJNTNSA-N 2 2 349.563 3.364 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000566477709 458945884 /nfs/dbraw/zinc/94/58/84/458945884.db2.gz CDJVSCPWNFOBPI-UHFFFAOYSA-N 2 2 332.492 3.228 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000566477709 458945894 /nfs/dbraw/zinc/94/58/94/458945894.db2.gz CDJVSCPWNFOBPI-UHFFFAOYSA-N 2 2 332.492 3.228 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000556387531 458956910 /nfs/dbraw/zinc/95/69/10/458956910.db2.gz UOOXSZDTOGGZLF-HXUWFJFHSA-N 2 2 343.902 3.342 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000556387531 458956919 /nfs/dbraw/zinc/95/69/19/458956919.db2.gz UOOXSZDTOGGZLF-HXUWFJFHSA-N 2 2 343.902 3.342 20 0 EGADLP C[NH+](C)C1(C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CCC1 ZINC000495812442 458963541 /nfs/dbraw/zinc/96/35/41/458963541.db2.gz AVLJQKHTVUQISC-UHFFFAOYSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000495849880 458975776 /nfs/dbraw/zinc/97/57/76/458975776.db2.gz LOWAQYSHWXMPQR-DOTOQJQBSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000495849880 458975779 /nfs/dbraw/zinc/97/57/79/458975779.db2.gz LOWAQYSHWXMPQR-DOTOQJQBSA-N 2 2 339.524 3.286 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000531932363 459002148 /nfs/dbraw/zinc/00/21/48/459002148.db2.gz UMHXBJUITXKGHQ-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636781 459018859 /nfs/dbraw/zinc/01/88/59/459018859.db2.gz UTTBHJPDGAUZFL-MSOLQXFVSA-N 2 2 331.463 3.499 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636781 459018862 /nfs/dbraw/zinc/01/88/62/459018862.db2.gz UTTBHJPDGAUZFL-MSOLQXFVSA-N 2 2 331.463 3.499 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442782527 459035686 /nfs/dbraw/zinc/03/56/86/459035686.db2.gz OGVASDGZTXQPSB-YRGRVCCFSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442782527 459035690 /nfs/dbraw/zinc/03/56/90/459035690.db2.gz OGVASDGZTXQPSB-YRGRVCCFSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000442821591 459043902 /nfs/dbraw/zinc/04/39/02/459043902.db2.gz NBCSROSLAIVFFM-MRXNPFEDSA-N 2 2 346.434 3.460 20 0 EGADLP O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@H]1CCCCC[NH2+]1 ZINC000577517161 459045880 /nfs/dbraw/zinc/04/58/80/459045880.db2.gz AFLAFHGHVJGXKW-QGZVFWFLSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c[nH+]c12 ZINC000496132700 459080330 /nfs/dbraw/zinc/08/03/30/459080330.db2.gz GMAOQZOBLZBGNU-ZIAGYGMSSA-N 2 2 332.448 3.034 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[NH+]1CC(C)C1 ZINC000557547260 459083930 /nfs/dbraw/zinc/08/39/30/459083930.db2.gz LXDWTPHFUTWHCX-OAHLLOKOSA-N 2 2 338.455 3.165 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C[NH3+])c1ccc3ccccc3c1)CO2 ZINC000577740072 459086284 /nfs/dbraw/zinc/08/62/84/459086284.db2.gz AUULPKGJVZGOMF-PZJWPPBQSA-N 2 2 348.446 3.442 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000532492015 459098871 /nfs/dbraw/zinc/09/88/71/459098871.db2.gz STXINJSPEKEMDS-CGZBRXJRSA-N 2 2 344.421 3.423 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063361 459117421 /nfs/dbraw/zinc/11/74/21/459117421.db2.gz RLNICPHGNOPUOS-XJKSGUPXSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063361 459117424 /nfs/dbraw/zinc/11/74/24/459117424.db2.gz RLNICPHGNOPUOS-XJKSGUPXSA-N 2 2 333.501 3.082 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000479283603 459131739 /nfs/dbraw/zinc/13/17/39/459131739.db2.gz NSODMVUCOWRIKG-XJKCOSOUSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000479283603 459131745 /nfs/dbraw/zinc/13/17/45/459131745.db2.gz NSODMVUCOWRIKG-XJKCOSOUSA-N 2 2 325.294 3.452 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000521256678 459135075 /nfs/dbraw/zinc/13/50/75/459135075.db2.gz UEHZYQCTRNSBOQ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000521256678 459135080 /nfs/dbraw/zinc/13/50/80/459135080.db2.gz UEHZYQCTRNSBOQ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000521256678 459135086 /nfs/dbraw/zinc/13/50/86/459135086.db2.gz UEHZYQCTRNSBOQ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000521256678 459135090 /nfs/dbraw/zinc/13/50/90/459135090.db2.gz UEHZYQCTRNSBOQ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000558413034 459154938 /nfs/dbraw/zinc/15/49/38/459154938.db2.gz ZFAAUJOZSQYMQO-AEFFLSMTSA-N 2 2 332.488 3.076 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000558413034 459154945 /nfs/dbraw/zinc/15/49/45/459154945.db2.gz ZFAAUJOZSQYMQO-AEFFLSMTSA-N 2 2 332.488 3.076 20 0 EGADLP Cc1cccc(C[C@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000480268350 459190598 /nfs/dbraw/zinc/19/05/98/459190598.db2.gz TUWHPENKSVGEHW-UEXGIBASSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1cccc(C[C@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000480268350 459190604 /nfs/dbraw/zinc/19/06/04/459190604.db2.gz TUWHPENKSVGEHW-UEXGIBASSA-N 2 2 330.516 3.405 20 0 EGADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533295198 459216012 /nfs/dbraw/zinc/21/60/12/459216012.db2.gz XYKPZTLJPGKBQH-QGZVFWFLSA-N 2 2 342.487 3.082 20 0 EGADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533295198 459216017 /nfs/dbraw/zinc/21/60/17/459216017.db2.gz XYKPZTLJPGKBQH-QGZVFWFLSA-N 2 2 342.487 3.082 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](C)CC(F)(F)F)c2cc1C ZINC000578641032 459234064 /nfs/dbraw/zinc/23/40/64/459234064.db2.gz HJNUFIJSRMPVIJ-SMDDNHRTSA-N 2 2 343.393 3.192 20 0 EGADLP Cc1[nH+]cc(CNC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)n1C ZINC000568269397 459260646 /nfs/dbraw/zinc/26/06/46/459260646.db2.gz KFGPEKDTLGNNCB-HXUWFJFHSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cncnc2C)cc1F ZINC000568293416 459265785 /nfs/dbraw/zinc/26/57/85/459265785.db2.gz OYERFOVEACDVGZ-LBPRGKRZSA-N 2 2 325.391 3.269 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000496649774 459273190 /nfs/dbraw/zinc/27/31/90/459273190.db2.gz LJMJIVDKIYUVGG-NXOAAHMSSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129629 459292947 /nfs/dbraw/zinc/29/29/47/459292947.db2.gz XMOQRSYGBJAOOI-JFIYKMOQSA-N 2 2 344.503 3.041 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496701807 459293064 /nfs/dbraw/zinc/29/30/64/459293064.db2.gz MYYQBQFOQUHDHG-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1ccc2nc([C@@H]3CCC[N@@H+](CCCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000582308996 459344585 /nfs/dbraw/zinc/34/45/85/459344585.db2.gz HAOUXSYNZIGYGQ-MRXNPFEDSA-N 2 2 337.471 3.417 20 0 EGADLP Cc1ccc2nc([C@@H]3CCC[N@H+](CCCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000582308996 459344594 /nfs/dbraw/zinc/34/45/94/459344594.db2.gz HAOUXSYNZIGYGQ-MRXNPFEDSA-N 2 2 337.471 3.417 20 0 EGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCCc4c[nH+]cn4C)C3)nc2c1 ZINC000582308996 459344600 /nfs/dbraw/zinc/34/46/00/459344600.db2.gz HAOUXSYNZIGYGQ-MRXNPFEDSA-N 2 2 337.471 3.417 20 0 EGADLP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCCc4c[nH+]cn4C)C3)nc2c1 ZINC000582308996 459344603 /nfs/dbraw/zinc/34/46/03/459344603.db2.gz HAOUXSYNZIGYGQ-MRXNPFEDSA-N 2 2 337.471 3.417 20 0 EGADLP CSc1ccc(OCC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000483545139 459374080 /nfs/dbraw/zinc/37/40/80/459374080.db2.gz SGRGSAYJYPDUCA-UHFFFAOYSA-N 2 2 343.496 3.313 20 0 EGADLP COc1cccc(CCC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000483541914 459374272 /nfs/dbraw/zinc/37/42/72/459374272.db2.gz IDIJUSSGBSMXOL-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341929 459435593 /nfs/dbraw/zinc/43/55/93/459435593.db2.gz YYCRQFCVSSGEAQ-SFHLNBCPSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341929 459435600 /nfs/dbraw/zinc/43/56/00/459435600.db2.gz YYCRQFCVSSGEAQ-SFHLNBCPSA-N 2 2 347.547 3.158 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742052 459487113 /nfs/dbraw/zinc/48/71/13/459487113.db2.gz PTPXVRGWKMOHAQ-WBVHZDCISA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742052 459487118 /nfs/dbraw/zinc/48/71/18/459487118.db2.gz PTPXVRGWKMOHAQ-WBVHZDCISA-N 2 2 332.517 3.435 20 0 EGADLP C[C@@H]1CCCC[C@@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000542312107 459545735 /nfs/dbraw/zinc/54/57/35/459545735.db2.gz RBMHYKHMYIEERZ-IAGOWNOFSA-N 2 2 330.520 3.272 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583502687 459551258 /nfs/dbraw/zinc/55/12/58/459551258.db2.gz AXFZORXCXFBCLA-IEBWSBKVSA-N 2 2 342.487 3.107 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000573219341 459645672 /nfs/dbraw/zinc/64/56/72/459645672.db2.gz YEQSPVMVPQDUAK-LIRRHRJNSA-N 2 2 341.430 3.019 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000562788799 459647503 /nfs/dbraw/zinc/64/75/03/459647503.db2.gz MANAVXHLADWFDJ-UHFFFAOYSA-N 2 2 341.499 3.388 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000584167890 459670382 /nfs/dbraw/zinc/67/03/82/459670382.db2.gz JYDBUDGFWSTQGF-MRXNPFEDSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000584167890 459670384 /nfs/dbraw/zinc/67/03/84/459670384.db2.gz JYDBUDGFWSTQGF-MRXNPFEDSA-N 2 2 335.879 3.275 20 0 EGADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000562949891 459678401 /nfs/dbraw/zinc/67/84/01/459678401.db2.gz BDCLEUCMRDXWLB-OAHLLOKOSA-N 2 2 346.519 3.189 20 0 EGADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000584240211 459690139 /nfs/dbraw/zinc/69/01/39/459690139.db2.gz ZVYGEWPFIQFRPL-OAHLLOKOSA-N 2 2 332.879 3.217 20 0 EGADLP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000584240211 459690145 /nfs/dbraw/zinc/69/01/45/459690145.db2.gz ZVYGEWPFIQFRPL-OAHLLOKOSA-N 2 2 332.879 3.217 20 0 EGADLP Cc1ncncc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000584242482 459690322 /nfs/dbraw/zinc/69/03/22/459690322.db2.gz VMJZQTJGGNDAKA-OAHLLOKOSA-N 2 2 328.435 3.239 20 0 EGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527673227 459695190 /nfs/dbraw/zinc/69/51/90/459695190.db2.gz GJIGLDFHAHRIAL-UONOGXRCSA-N 2 2 348.434 3.234 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1F ZINC000527696593 459703941 /nfs/dbraw/zinc/70/39/41/459703941.db2.gz UMDJINPUNBKPLO-SNVBAGLBSA-N 2 2 342.187 3.028 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544364099 459752148 /nfs/dbraw/zinc/75/21/48/459752148.db2.gz DPAOOICRBBDSPV-FGZHOGPDSA-N 2 2 338.495 3.498 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544364099 459752154 /nfs/dbraw/zinc/75/21/54/459752154.db2.gz DPAOOICRBBDSPV-FGZHOGPDSA-N 2 2 338.495 3.498 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(=O)Nc1cccc(Cl)c1)CCC2 ZINC000573914172 459755705 /nfs/dbraw/zinc/75/57/05/459755705.db2.gz UZYKFWXPVKPSDE-AWEZNQCLSA-N 2 2 346.862 3.341 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574003849 459767369 /nfs/dbraw/zinc/76/73/69/459767369.db2.gz CZYWERKNUHPLIS-RDTXWAMCSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000574003849 459767373 /nfs/dbraw/zinc/76/73/73/459767373.db2.gz CZYWERKNUHPLIS-RDTXWAMCSA-N 2 2 333.451 3.149 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1C ZINC000574100419 459779638 /nfs/dbraw/zinc/77/96/38/459779638.db2.gz YUULTVJXWWRACD-INIZCTEOSA-N 3 2 326.488 3.393 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1C ZINC000574100419 459779641 /nfs/dbraw/zinc/77/96/41/459779641.db2.gz YUULTVJXWWRACD-INIZCTEOSA-N 3 2 326.488 3.393 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000574141848 459784187 /nfs/dbraw/zinc/78/41/87/459784187.db2.gz UALNWKMZJHPUGG-INIZCTEOSA-N 2 2 326.550 3.237 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000574141848 459784189 /nfs/dbraw/zinc/78/41/89/459784189.db2.gz UALNWKMZJHPUGG-INIZCTEOSA-N 2 2 326.550 3.237 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000574261929 459798021 /nfs/dbraw/zinc/79/80/21/459798021.db2.gz VVZRECBPPPNIHU-CQSZACIVSA-N 2 2 340.870 3.207 20 0 EGADLP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)CC2 ZINC000574284922 459802647 /nfs/dbraw/zinc/80/26/47/459802647.db2.gz YGKKUSWXIFAMGD-AWEZNQCLSA-N 2 2 346.862 3.108 20 0 EGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c1C ZINC000574581177 459837603 /nfs/dbraw/zinc/83/76/03/459837603.db2.gz CCYDWRUCSGTHJV-UHFFFAOYSA-N 2 2 346.515 3.139 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000566298905 459837829 /nfs/dbraw/zinc/83/78/29/459837829.db2.gz JXJJYDCEDUAQRP-FUHIMQAGSA-N 2 2 327.472 3.360 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000566298905 459837831 /nfs/dbraw/zinc/83/78/31/459837831.db2.gz JXJJYDCEDUAQRP-FUHIMQAGSA-N 2 2 327.472 3.360 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000566417828 459863228 /nfs/dbraw/zinc/86/32/28/459863228.db2.gz ZDAHPYYLITXLQX-DLBZAZTESA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000566417828 459863234 /nfs/dbraw/zinc/86/32/34/459863234.db2.gz ZDAHPYYLITXLQX-DLBZAZTESA-N 2 2 328.456 3.442 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)OCc1ccccc1 ZINC000566425725 459865087 /nfs/dbraw/zinc/86/50/87/459865087.db2.gz FWMNQGSVLWSQSL-OALUTQOASA-N 2 2 346.515 3.167 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)OCc1ccccc1 ZINC000566425725 459865093 /nfs/dbraw/zinc/86/50/93/459865093.db2.gz FWMNQGSVLWSQSL-OALUTQOASA-N 2 2 346.515 3.167 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000545913059 459870402 /nfs/dbraw/zinc/87/04/02/459870402.db2.gz MZESOONLUZVYFJ-HXUWFJFHSA-N 2 2 346.515 3.433 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000621749997 460048075 /nfs/dbraw/zinc/04/80/75/460048075.db2.gz GSAAAYFRGAEUCB-FQEVSTJZSA-N 2 2 337.467 3.206 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000621749997 460048080 /nfs/dbraw/zinc/04/80/80/460048080.db2.gz GSAAAYFRGAEUCB-FQEVSTJZSA-N 2 2 337.467 3.206 20 0 EGADLP CCCOc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000576247953 460103546 /nfs/dbraw/zinc/10/35/46/460103546.db2.gz FDUSONHFJOHNIN-UHFFFAOYSA-N 2 2 341.455 3.201 20 0 EGADLP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610371739 460138665 /nfs/dbraw/zinc/13/86/65/460138665.db2.gz RMHXPTBSLHNXLI-CEXWTWQISA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610371739 460138670 /nfs/dbraw/zinc/13/86/70/460138670.db2.gz RMHXPTBSLHNXLI-CEXWTWQISA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000610371739 460138674 /nfs/dbraw/zinc/13/86/74/460138674.db2.gz RMHXPTBSLHNXLI-CEXWTWQISA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000610371739 460138681 /nfs/dbraw/zinc/13/86/81/460138681.db2.gz RMHXPTBSLHNXLI-CEXWTWQISA-N 2 2 336.545 3.085 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625382478 460152540 /nfs/dbraw/zinc/15/25/40/460152540.db2.gz AGLRADCLZNQTCQ-UHFFFAOYSA-N 2 2 342.487 3.144 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602869166 460166603 /nfs/dbraw/zinc/16/66/03/460166603.db2.gz JNJJDMYPVCMUKR-LJQANCHMSA-N 2 2 344.547 3.352 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602869166 460166608 /nfs/dbraw/zinc/16/66/08/460166608.db2.gz JNJJDMYPVCMUKR-LJQANCHMSA-N 2 2 344.547 3.352 20 0 EGADLP C[C@H](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)n1cc[nH+]c1 ZINC000576588190 460175333 /nfs/dbraw/zinc/17/53/33/460175333.db2.gz MGQQXMDAFBQTPF-CQSZACIVSA-N 2 2 347.488 3.161 20 0 EGADLP Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1Oc1cc[nH+]cc1 ZINC000604308087 460403775 /nfs/dbraw/zinc/40/37/75/460403775.db2.gz BEYLOPXDYBXMHQ-UHFFFAOYSA-N 2 2 325.412 3.008 20 0 EGADLP COc1cccc2c1OCCC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000631565803 460445478 /nfs/dbraw/zinc/44/54/78/460445478.db2.gz KOVWVDZVWWDNOF-KRWDZBQOSA-N 2 2 337.423 3.389 20 0 EGADLP COc1cccc2c1OCCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000631567389 460447258 /nfs/dbraw/zinc/44/72/58/460447258.db2.gz ZCSQAEZHDCMXMS-QGZVFWFLSA-N 2 2 341.455 3.274 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631600992 460467753 /nfs/dbraw/zinc/46/77/53/460467753.db2.gz VBSMDHZVAZUIFB-KNTRFNDTSA-N 2 2 341.499 3.154 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000619904736 460467818 /nfs/dbraw/zinc/46/78/18/460467818.db2.gz QCAWWIHMVOLBNH-OAHLLOKOSA-N 2 2 325.412 3.088 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000619904736 460467824 /nfs/dbraw/zinc/46/78/24/460467824.db2.gz QCAWWIHMVOLBNH-OAHLLOKOSA-N 2 2 325.412 3.088 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000631662836 460496452 /nfs/dbraw/zinc/49/64/52/460496452.db2.gz GACGQAOUAITECK-JENIJYKNSA-N 2 2 338.499 3.248 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000631662836 460496454 /nfs/dbraw/zinc/49/64/54/460496454.db2.gz GACGQAOUAITECK-JENIJYKNSA-N 2 2 338.499 3.248 20 0 EGADLP Cc1cc(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc(C)[nH+]1 ZINC000616364561 460537323 /nfs/dbraw/zinc/53/73/23/460537323.db2.gz JVDCCLGPBLDTFO-HXUWFJFHSA-N 2 2 337.467 3.194 20 0 EGADLP Cc1cccn2cc(CN3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)[nH+]c12 ZINC000605150453 460544623 /nfs/dbraw/zinc/54/46/23/460544623.db2.gz QQFPMCKJDVJNKM-LMMKCTJWSA-N 2 2 326.488 3.480 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000623871635 460753311 /nfs/dbraw/zinc/75/33/11/460753311.db2.gz JJMOTKGDJOUKJC-GXTWGEPZSA-N 2 2 348.384 3.342 20 0 EGADLP CCOC(=O)C1(C)CC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000601267310 460770078 /nfs/dbraw/zinc/77/00/78/460770078.db2.gz WFROJWJHDSFCNY-GNZRSQJKSA-N 2 2 341.455 3.025 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)n1cc[nH+]c1 ZINC000635426548 460783109 /nfs/dbraw/zinc/78/31/09/460783109.db2.gz VMZWWMJEUUNVEE-GOSISDBHSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)n1cc[nH+]c1 ZINC000635426548 460783113 /nfs/dbraw/zinc/78/31/13/460783113.db2.gz VMZWWMJEUUNVEE-GOSISDBHSA-N 2 2 334.508 3.049 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000629548801 460803627 /nfs/dbraw/zinc/80/36/27/460803627.db2.gz YOLPVPHLJIHIJF-JGGQBBKZSA-N 2 2 325.859 3.178 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000629548804 460804564 /nfs/dbraw/zinc/80/45/64/460804564.db2.gz YOLPVPHLJIHIJF-XPKDYRNWSA-N 2 2 325.859 3.178 20 0 EGADLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000629556939 460805390 /nfs/dbraw/zinc/80/53/90/460805390.db2.gz SBLJQWXWDMXDIH-UHFFFAOYSA-N 2 2 327.428 3.088 20 0 EGADLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000629556939 460805395 /nfs/dbraw/zinc/80/53/95/460805395.db2.gz SBLJQWXWDMXDIH-UHFFFAOYSA-N 2 2 327.428 3.088 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000629559323 460807566 /nfs/dbraw/zinc/80/75/66/460807566.db2.gz ASRIXFJWPAWCMD-QWRGUYRKSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000629559323 460807571 /nfs/dbraw/zinc/80/75/71/460807571.db2.gz ASRIXFJWPAWCMD-QWRGUYRKSA-N 2 2 329.391 3.255 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629561285 460809887 /nfs/dbraw/zinc/80/98/87/460809887.db2.gz HNLOYJDFRSQBBX-VXGBXAGGSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629561285 460809890 /nfs/dbraw/zinc/80/98/90/460809890.db2.gz HNLOYJDFRSQBBX-VXGBXAGGSA-N 2 2 336.785 3.308 20 0 EGADLP CC(C)CC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000629683927 460865295 /nfs/dbraw/zinc/86/52/95/460865295.db2.gz KHKOCOSWJMLRTJ-KRWDZBQOSA-N 2 2 344.459 3.005 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120485 460870862 /nfs/dbraw/zinc/87/08/62/460870862.db2.gz ABSNQKLCDUSWAG-SJLPKXTDSA-N 2 2 341.503 3.267 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120485 460870869 /nfs/dbraw/zinc/87/08/69/460870869.db2.gz ABSNQKLCDUSWAG-SJLPKXTDSA-N 2 2 341.503 3.267 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702150 460875673 /nfs/dbraw/zinc/87/56/73/460875673.db2.gz IPYZCTUYNMXQPW-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702150 460875676 /nfs/dbraw/zinc/87/56/76/460875676.db2.gz IPYZCTUYNMXQPW-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000624188020 460902632 /nfs/dbraw/zinc/90/26/32/460902632.db2.gz UGJJFBIXNBSPFT-MJGOQNOKSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2ccccc21 ZINC000624188020 460902640 /nfs/dbraw/zinc/90/26/40/460902640.db2.gz UGJJFBIXNBSPFT-MJGOQNOKSA-N 2 2 327.472 3.091 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cs2)cc1 ZINC000608061325 460973970 /nfs/dbraw/zinc/97/39/70/460973970.db2.gz ORIYFFWWKZQTBA-HIFRSBDPSA-N 2 2 331.485 3.391 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cs2)cc1 ZINC000608061325 460973979 /nfs/dbraw/zinc/97/39/79/460973979.db2.gz ORIYFFWWKZQTBA-HIFRSBDPSA-N 2 2 331.485 3.391 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000621298856 460980289 /nfs/dbraw/zinc/98/02/89/460980289.db2.gz LVLMJOUKVCFOII-UHFFFAOYSA-N 2 2 336.863 3.411 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635939014 460982822 /nfs/dbraw/zinc/98/28/22/460982822.db2.gz YAVUKKGKASIIGK-IRXDYDNUSA-N 2 2 343.475 3.441 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635939012 460983461 /nfs/dbraw/zinc/98/34/61/460983461.db2.gz YAVUKKGKASIIGK-DLBZAZTESA-N 2 2 343.475 3.441 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340439 460997114 /nfs/dbraw/zinc/99/71/14/460997114.db2.gz FBSBARFRZKITRV-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190337 461042045 /nfs/dbraw/zinc/04/20/45/461042045.db2.gz CMTKMCSMBRUSKP-KBXCAEBGSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190337 461042049 /nfs/dbraw/zinc/04/20/49/461042049.db2.gz CMTKMCSMBRUSKP-KBXCAEBGSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190337 461042052 /nfs/dbraw/zinc/04/20/52/461042052.db2.gz CMTKMCSMBRUSKP-KBXCAEBGSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190337 461042055 /nfs/dbraw/zinc/04/20/55/461042055.db2.gz CMTKMCSMBRUSKP-KBXCAEBGSA-N 2 2 349.469 3.480 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ncc1Br ZINC000628254313 461064566 /nfs/dbraw/zinc/06/45/66/461064566.db2.gz WHDCJQDEQROUSM-OAHLLOKOSA-N 2 2 348.244 3.201 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ncc1Br ZINC000628254313 461064569 /nfs/dbraw/zinc/06/45/69/461064569.db2.gz WHDCJQDEQROUSM-OAHLLOKOSA-N 2 2 348.244 3.201 20 0 EGADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000637894769 461110192 /nfs/dbraw/zinc/11/01/92/461110192.db2.gz IHBIOCNMGXSVCQ-HOTGVXAUSA-N 2 2 348.878 3.043 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2[nH+]1 ZINC000668151899 461138760 /nfs/dbraw/zinc/13/87/60/461138760.db2.gz RWRUUJYZYPVJJI-INIZCTEOSA-N 2 2 343.475 3.419 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2[nH+]1 ZINC000668151899 461138765 /nfs/dbraw/zinc/13/87/65/461138765.db2.gz RWRUUJYZYPVJJI-INIZCTEOSA-N 2 2 343.475 3.419 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1coc(-c3ccc(F)c(F)c3)n1)C2 ZINC000652352329 461147235 /nfs/dbraw/zinc/14/72/35/461147235.db2.gz DTUAUXAGJGXOTR-UGSOOPFHSA-N 2 2 333.382 3.181 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1coc(-c3ccc(F)c(F)c3)n1)C2 ZINC000652352329 461147248 /nfs/dbraw/zinc/14/72/48/461147248.db2.gz DTUAUXAGJGXOTR-UGSOOPFHSA-N 2 2 333.382 3.181 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)Cc3cn4c([nH+]3)CCCC4)ccc21 ZINC000652380930 461165455 /nfs/dbraw/zinc/16/54/55/461165455.db2.gz RQWQTXBDONAESP-UHFFFAOYSA-N 2 2 349.438 3.015 20 0 EGADLP CC(C)[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nc(C2CC2)no1 ZINC000662284566 461166444 /nfs/dbraw/zinc/16/64/44/461166444.db2.gz ZDTYLMUUQZLAQM-KRWDZBQOSA-N 2 2 326.444 3.080 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978943 461168950 /nfs/dbraw/zinc/16/89/50/461168950.db2.gz QOCAHLNMDNESGJ-IEBWSBKVSA-N 2 2 330.520 3.315 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978943 461168958 /nfs/dbraw/zinc/16/89/58/461168958.db2.gz QOCAHLNMDNESGJ-IEBWSBKVSA-N 2 2 330.520 3.315 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630537090 461175471 /nfs/dbraw/zinc/17/54/71/461175471.db2.gz JFEKYGIUSQGLRM-HNNXBMFYSA-N 2 2 326.444 3.071 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630537090 461175484 /nfs/dbraw/zinc/17/54/84/461175484.db2.gz JFEKYGIUSQGLRM-HNNXBMFYSA-N 2 2 326.444 3.071 20 0 EGADLP COc1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000638031848 461206228 /nfs/dbraw/zinc/20/62/28/461206228.db2.gz UJFGYXTUCXXLKU-UHFFFAOYSA-N 2 2 331.485 3.248 20 0 EGADLP COc1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000638031848 461206235 /nfs/dbraw/zinc/20/62/35/461206235.db2.gz UJFGYXTUCXXLKU-UHFFFAOYSA-N 2 2 331.485 3.248 20 0 EGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000668286904 461227699 /nfs/dbraw/zinc/22/76/99/461227699.db2.gz RFTDCQLETXJZHY-QGZVFWFLSA-N 2 2 325.456 3.435 20 0 EGADLP COc1ccc(C[C@H]2CCCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000668286904 461227708 /nfs/dbraw/zinc/22/77/08/461227708.db2.gz RFTDCQLETXJZHY-QGZVFWFLSA-N 2 2 325.456 3.435 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641557703 461283830 /nfs/dbraw/zinc/28/38/30/461283830.db2.gz NSTZEAJWSTWWEQ-SFHVURJKSA-N 2 2 325.456 3.287 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641557703 461283839 /nfs/dbraw/zinc/28/38/39/461283839.db2.gz NSTZEAJWSTWWEQ-SFHVURJKSA-N 2 2 325.456 3.287 20 0 EGADLP CC(C)O[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000649703583 461290215 /nfs/dbraw/zinc/29/02/15/461290215.db2.gz GXIWXSBODGWGRS-OAQYLSRUSA-N 2 2 345.531 3.088 20 0 EGADLP CC(C)O[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000649703583 461290222 /nfs/dbraw/zinc/29/02/22/461290222.db2.gz GXIWXSBODGWGRS-OAQYLSRUSA-N 2 2 345.531 3.088 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)c1ccccc1 ZINC000638288146 461348750 /nfs/dbraw/zinc/34/87/50/461348750.db2.gz ZZJZTSAJWGHUCW-BHIYHBOVSA-N 2 2 331.504 3.106 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)oc21 ZINC000655693565 461367583 /nfs/dbraw/zinc/36/75/83/461367583.db2.gz FDSFEAIBUFUELR-PBHICJAKSA-N 2 2 344.455 3.345 20 0 EGADLP c1cc(-c2ccccc2)oc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655697187 461369136 /nfs/dbraw/zinc/36/91/36/461369136.db2.gz ONTUUUJZEXFSTR-SFHVURJKSA-N 2 2 326.440 3.290 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000655707457 461378731 /nfs/dbraw/zinc/37/87/31/461378731.db2.gz STWDLWXJJHSLRY-SWLSCSKDSA-N 2 2 326.843 3.383 20 0 EGADLP c1nc(-c2ccccc2)sc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719709 461388577 /nfs/dbraw/zinc/38/85/77/461388577.db2.gz VYPYFTIUCAJRRK-QGZVFWFLSA-N 2 2 343.496 3.153 20 0 EGADLP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655722431 461391059 /nfs/dbraw/zinc/39/10/59/461391059.db2.gz AVEYPGTYJQIIEY-HKUYNNGSSA-N 2 2 342.483 3.276 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000638374136 461394509 /nfs/dbraw/zinc/39/45/09/461394509.db2.gz NKVJQWWVJZVODS-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000638374136 461394513 /nfs/dbraw/zinc/39/45/13/461394513.db2.gz NKVJQWWVJZVODS-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000655744898 461411682 /nfs/dbraw/zinc/41/16/82/461411682.db2.gz WTEDQBLCMHOKGD-UHFFFAOYSA-N 2 2 335.455 3.476 20 0 EGADLP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3CCCn4cc[nH+]c43)c2)CC1 ZINC000655748790 461415725 /nfs/dbraw/zinc/41/57/25/461415725.db2.gz JGSVVEPNLPWWRR-LJQANCHMSA-N 2 2 339.487 3.361 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659876821 461475936 /nfs/dbraw/zinc/47/59/36/461475936.db2.gz GCKPLFIHOHGVJO-UAFMIMERSA-N 2 2 347.547 3.022 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000659876821 461475939 /nfs/dbraw/zinc/47/59/39/461475939.db2.gz GCKPLFIHOHGVJO-UAFMIMERSA-N 2 2 347.547 3.022 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653058352 461479359 /nfs/dbraw/zinc/47/93/59/461479359.db2.gz PCXJJIUKTQEZIW-MRXNPFEDSA-N 2 2 327.428 3.005 20 0 EGADLP CCCCc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061293 461480756 /nfs/dbraw/zinc/48/07/56/461480756.db2.gz JWDNFQZZIYZASR-OALUTQOASA-N 2 2 333.520 3.122 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000655840086 461490495 /nfs/dbraw/zinc/49/04/95/461490495.db2.gz HMWQSQZSDZNSDL-PWZKMPOXSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000655840086 461490499 /nfs/dbraw/zinc/49/04/99/461490499.db2.gz HMWQSQZSDZNSDL-PWZKMPOXSA-N 2 2 336.479 3.287 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655848381 461495398 /nfs/dbraw/zinc/49/53/98/461495398.db2.gz IKSQDMOOBPTKIU-SNRMKQJTSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655848381 461495405 /nfs/dbraw/zinc/49/54/05/461495405.db2.gz IKSQDMOOBPTKIU-SNRMKQJTSA-N 2 2 345.487 3.019 20 0 EGADLP CO[C@@](C)(C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000638639161 461513691 /nfs/dbraw/zinc/51/36/91/461513691.db2.gz IULICXTVMFXKLK-XLIONFOSSA-N 2 2 346.515 3.291 20 0 EGADLP CCc1cc(Br)c(C)[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000663258633 461530882 /nfs/dbraw/zinc/53/08/82/461530882.db2.gz MVJBPNQNYGUNPB-UHFFFAOYSA-N 2 2 335.249 3.470 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706547 461544471 /nfs/dbraw/zinc/54/44/71/461544471.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706547 461544480 /nfs/dbraw/zinc/54/44/80/461544480.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706547 461544483 /nfs/dbraw/zinc/54/44/83/461544483.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706547 461544492 /nfs/dbraw/zinc/54/44/92/461544492.db2.gz GKLWBBRHDGOQPV-XLBJILASSA-N 3 2 327.516 3.427 20 0 EGADLP CO[C@@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)CC(C)C ZINC000638781069 461576376 /nfs/dbraw/zinc/57/63/76/461576376.db2.gz RVSUDXXJPZEANK-GOSISDBHSA-N 2 2 334.508 3.085 20 0 EGADLP CO[C@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCCC1 ZINC000638779461 461576641 /nfs/dbraw/zinc/57/66/41/461576641.db2.gz NOOXAMLQUBAIEB-LJQANCHMSA-N 2 2 346.519 3.229 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)CC(=O)Nc3ccccc3)cn21 ZINC000647262907 461599256 /nfs/dbraw/zinc/59/92/56/461599256.db2.gz YASKHECKRALFQC-HNNXBMFYSA-N 2 2 336.439 3.192 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069270 461602837 /nfs/dbraw/zinc/60/28/37/461602837.db2.gz QMNFRGVBMBKMTC-BXUZGUMPSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069270 461602844 /nfs/dbraw/zinc/60/28/44/461602844.db2.gz QMNFRGVBMBKMTC-BXUZGUMPSA-N 2 2 342.270 3.006 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000631179789 461617754 /nfs/dbraw/zinc/61/77/54/461617754.db2.gz WGRZBXWEJHTUHU-OAHLLOKOSA-N 2 2 336.451 3.055 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631179789 461617762 /nfs/dbraw/zinc/61/77/62/461617762.db2.gz WGRZBXWEJHTUHU-OAHLLOKOSA-N 2 2 336.451 3.055 20 0 EGADLP Cc1nc(NC2CC[NH+](CC3CC3)CC2)c(Br)c(C)[nH+]1 ZINC000663397955 461618152 /nfs/dbraw/zinc/61/81/52/461618152.db2.gz JXFNUMOQMTUFSL-UHFFFAOYSA-N 2 2 339.281 3.142 20 0 EGADLP Cc1[nH+]cc(CN[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)n1C ZINC000631190933 461629844 /nfs/dbraw/zinc/62/98/44/461629844.db2.gz KOAUGPKVGCAYSY-MRXNPFEDSA-N 2 2 340.393 3.140 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201759 461646399 /nfs/dbraw/zinc/64/63/99/461646399.db2.gz YJLCBFKZWDWCOT-QWHCGFSZSA-N 2 2 331.287 3.283 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000638929832 461650654 /nfs/dbraw/zinc/65/06/54/461650654.db2.gz CSITZMTVTFATKN-GOEBONIOSA-N 2 2 340.471 3.032 20 0 EGADLP FC(F)(F)c1ccncc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000663473593 461661440 /nfs/dbraw/zinc/66/14/40/461661440.db2.gz HSJMDHGUVJVNQF-UHFFFAOYSA-N 2 2 336.361 3.254 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)oc21 ZINC000660255879 461668835 /nfs/dbraw/zinc/66/88/35/461668835.db2.gz AWVAZSXHNVPVHK-HOCLYGCPSA-N 2 2 334.460 3.183 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)oc21 ZINC000660255879 461668840 /nfs/dbraw/zinc/66/88/40/461668840.db2.gz AWVAZSXHNVPVHK-HOCLYGCPSA-N 2 2 334.460 3.183 20 0 EGADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c(C)c2c1 ZINC000660265376 461673686 /nfs/dbraw/zinc/67/36/86/461673686.db2.gz GRONMJIWCLUZAU-HUUCEWRRSA-N 2 2 334.460 3.102 20 0 EGADLP COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c(C)c2c1 ZINC000660265376 461673693 /nfs/dbraw/zinc/67/36/93/461673693.db2.gz GRONMJIWCLUZAU-HUUCEWRRSA-N 2 2 334.460 3.102 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656253825 461676350 /nfs/dbraw/zinc/67/63/50/461676350.db2.gz XSOHKEVFGAIRCI-IBGZPJMESA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656253825 461676355 /nfs/dbraw/zinc/67/63/55/461676355.db2.gz XSOHKEVFGAIRCI-IBGZPJMESA-N 2 2 338.499 3.407 20 0 EGADLP Clc1cnc2oc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000656281121 461703966 /nfs/dbraw/zinc/70/39/66/461703966.db2.gz MLSHJHOELZONDL-INIZCTEOSA-N 2 2 349.862 3.168 20 0 EGADLP Clc1cnc2oc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000656281121 461703968 /nfs/dbraw/zinc/70/39/68/461703968.db2.gz MLSHJHOELZONDL-INIZCTEOSA-N 2 2 349.862 3.168 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc(Cl)c1OC ZINC000647498613 461736487 /nfs/dbraw/zinc/73/64/87/461736487.db2.gz LCBSIRIYXCEHHA-HIFRSBDPSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc(Cl)c1OC ZINC000647498613 461736498 /nfs/dbraw/zinc/73/64/98/461736498.db2.gz LCBSIRIYXCEHHA-HIFRSBDPSA-N 2 2 326.868 3.307 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CC[C@@H]1[NH3+] ZINC000647499098 461738993 /nfs/dbraw/zinc/73/89/93/461738993.db2.gz ZKFLKVBAHKANPJ-CABZTGNLSA-N 2 2 333.295 3.078 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CC[C@@H]1[NH3+] ZINC000647499098 461738999 /nfs/dbraw/zinc/73/89/99/461738999.db2.gz ZKFLKVBAHKANPJ-CABZTGNLSA-N 2 2 333.295 3.078 20 0 EGADLP Oc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Br ZINC000656431534 461741651 /nfs/dbraw/zinc/74/16/51/461741651.db2.gz IUPHYVHASWGMJT-CYBMUJFWSA-N 2 2 336.233 3.188 20 0 EGADLP Oc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Br ZINC000656431534 461741657 /nfs/dbraw/zinc/74/16/57/461741657.db2.gz IUPHYVHASWGMJT-CYBMUJFWSA-N 2 2 336.233 3.188 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501648 461746588 /nfs/dbraw/zinc/74/65/88/461746588.db2.gz NCLYCIJPJNEXCO-TUFLPTIASA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCC[NH2+]4)[C@H]3C2)cc1 ZINC000643501648 461746594 /nfs/dbraw/zinc/74/65/94/461746594.db2.gz NCLYCIJPJNEXCO-TUFLPTIASA-N 3 2 327.516 3.019 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000653592347 461746598 /nfs/dbraw/zinc/74/65/98/461746598.db2.gz WNDNSKIJIFVMDK-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000653592347 461746607 /nfs/dbraw/zinc/74/66/07/461746607.db2.gz WNDNSKIJIFVMDK-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000666664796 461747257 /nfs/dbraw/zinc/74/72/57/461747257.db2.gz MSFJBSUMXJLFRN-RDJZCZTQSA-N 2 2 345.491 3.053 20 0 EGADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000666664796 461747263 /nfs/dbraw/zinc/74/72/63/461747263.db2.gz MSFJBSUMXJLFRN-RDJZCZTQSA-N 2 2 345.491 3.053 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000647530707 461748853 /nfs/dbraw/zinc/74/88/53/461748853.db2.gz ASWDBXBSYSNOPP-MRXNPFEDSA-N 2 2 338.879 3.211 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@H](C)[NH3+])s2)cc1OC ZINC000643529313 461755338 /nfs/dbraw/zinc/75/53/38/461755338.db2.gz YLUGFLABEGYYPN-RYUDHWBXSA-N 2 2 349.500 3.057 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000643537409 461756059 /nfs/dbraw/zinc/75/60/59/461756059.db2.gz HDTSOROIMWPTMH-XIRDDKMYSA-N 2 2 330.451 3.148 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cnn1-c1cc(C)ccc1C ZINC000643537408 461757110 /nfs/dbraw/zinc/75/71/10/461757110.db2.gz HDTSOROIMWPTMH-PVAVHDDUSA-N 2 2 330.451 3.148 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546153 461759453 /nfs/dbraw/zinc/75/94/53/461759453.db2.gz JQPAKSMPXGQJNY-YZGWKJHDSA-N 3 2 327.516 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546153 461759457 /nfs/dbraw/zinc/75/94/57/461759457.db2.gz JQPAKSMPXGQJNY-YZGWKJHDSA-N 3 2 327.516 3.161 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)c2)nc1 ZINC000647553598 461764849 /nfs/dbraw/zinc/76/48/49/461764849.db2.gz DURKKHBECAGSMN-HXUWFJFHSA-N 2 2 337.467 3.425 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153182 461766997 /nfs/dbraw/zinc/76/69/97/461766997.db2.gz FTKWFPUUBZLLGN-AEFFLSMTSA-N 2 2 339.487 3.284 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153182 461767003 /nfs/dbraw/zinc/76/70/03/461767003.db2.gz FTKWFPUUBZLLGN-AEFFLSMTSA-N 2 2 339.487 3.284 20 0 EGADLP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)sn1 ZINC000660436579 461778340 /nfs/dbraw/zinc/77/83/40/461778340.db2.gz SNVMDKVTQOWOEE-UHFFFAOYSA-N 2 2 332.473 3.064 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000666767144 461793801 /nfs/dbraw/zinc/79/38/01/461793801.db2.gz XKZHYORXAPHMIR-AWEZNQCLSA-N 2 2 326.868 3.369 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769703 461795746 /nfs/dbraw/zinc/79/57/46/461795746.db2.gz CMCYTHDZPKBTPQ-IUODEOHRSA-N 2 2 343.393 3.154 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000639208492 461804388 /nfs/dbraw/zinc/80/43/88/461804388.db2.gz WJODTYCMJADZQH-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000639208492 461804392 /nfs/dbraw/zinc/80/43/92/461804392.db2.gz WJODTYCMJADZQH-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000639208492 461804399 /nfs/dbraw/zinc/80/43/99/461804399.db2.gz WJODTYCMJADZQH-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000639208492 461804403 /nfs/dbraw/zinc/80/44/03/461804403.db2.gz WJODTYCMJADZQH-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1 ZINC000647814884 461849255 /nfs/dbraw/zinc/84/92/55/461849255.db2.gz JZJSASKNTMBIIN-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1 ZINC000647814884 461849258 /nfs/dbraw/zinc/84/92/58/461849258.db2.gz JZJSASKNTMBIIN-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814885 461849338 /nfs/dbraw/zinc/84/93/38/461849338.db2.gz KAYFZLYGVWLPPN-AWEZNQCLSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814885 461849343 /nfs/dbraw/zinc/84/93/43/461849343.db2.gz KAYFZLYGVWLPPN-AWEZNQCLSA-N 2 2 349.906 3.076 20 0 EGADLP CCOc1cccc(Cl)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777575 461853452 /nfs/dbraw/zinc/85/34/52/461853452.db2.gz PSWSNNNRUPBVKV-UHFFFAOYSA-N 2 2 338.879 3.035 20 0 EGADLP CCOc1cccc(Cl)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777575 461853456 /nfs/dbraw/zinc/85/34/56/461853456.db2.gz PSWSNNNRUPBVKV-UHFFFAOYSA-N 2 2 338.879 3.035 20 0 EGADLP Cc1cc(CO)cc(N2CC[NH+](Cc3cccc4ccccc43)CC2)[nH+]1 ZINC000647850028 461857509 /nfs/dbraw/zinc/85/75/09/461857509.db2.gz WUJKNHOWSHPEIU-UHFFFAOYSA-N 2 2 347.462 3.358 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660590549 461868637 /nfs/dbraw/zinc/86/86/37/461868637.db2.gz PIMGAOMIJDWRNW-IEBWSBKVSA-N 2 2 328.500 3.292 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660590549 461868641 /nfs/dbraw/zinc/86/86/41/461868641.db2.gz PIMGAOMIJDWRNW-IEBWSBKVSA-N 2 2 328.500 3.292 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000647925449 461888620 /nfs/dbraw/zinc/88/86/20/461888620.db2.gz JBLTXMRYOXRTIY-KRWDZBQOSA-N 2 2 349.494 3.232 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000656786020 461895429 /nfs/dbraw/zinc/89/54/29/461895429.db2.gz SXTTZJUQXKOGSW-HNNXBMFYSA-N 2 2 326.868 3.067 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000656786020 461895441 /nfs/dbraw/zinc/89/54/41/461895441.db2.gz SXTTZJUQXKOGSW-HNNXBMFYSA-N 2 2 326.868 3.067 20 0 EGADLP Brc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785298 461896144 /nfs/dbraw/zinc/89/61/44/461896144.db2.gz GOCJMWIXRAZFLE-LBPRGKRZSA-N 2 2 344.322 3.117 20 0 EGADLP CCOc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1OCC(F)(F)F ZINC000656785434 461896256 /nfs/dbraw/zinc/89/62/56/461896256.db2.gz ORZXAPNUEXZXPQ-UHFFFAOYSA-N 2 2 334.382 3.196 20 0 EGADLP CCOc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1OCC(F)(F)F ZINC000656785434 461896260 /nfs/dbraw/zinc/89/62/60/461896260.db2.gz ORZXAPNUEXZXPQ-UHFFFAOYSA-N 2 2 334.382 3.196 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641811 461898019 /nfs/dbraw/zinc/89/80/19/461898019.db2.gz KAOOIZMFFPPECT-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641811 461898030 /nfs/dbraw/zinc/89/80/30/461898030.db2.gz KAOOIZMFFPPECT-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641811 461898041 /nfs/dbraw/zinc/89/80/41/461898041.db2.gz KAOOIZMFFPPECT-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641811 461898047 /nfs/dbraw/zinc/89/80/47/461898047.db2.gz KAOOIZMFFPPECT-KRWDZBQOSA-N 2 2 326.456 3.475 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654856 461904330 /nfs/dbraw/zinc/90/43/30/461904330.db2.gz IJROGBNYFTVERJ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654856 461904339 /nfs/dbraw/zinc/90/43/39/461904339.db2.gz IJROGBNYFTVERJ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654856 461904344 /nfs/dbraw/zinc/90/43/44/461904344.db2.gz IJROGBNYFTVERJ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654856 461904348 /nfs/dbraw/zinc/90/43/48/461904348.db2.gz IJROGBNYFTVERJ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996840 461904572 /nfs/dbraw/zinc/90/45/72/461904572.db2.gz IDXWVLGFMXYHDY-ZDUSSCGKSA-N 2 2 327.241 3.353 20 0 EGADLP c1sc(COc2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996920 461904668 /nfs/dbraw/zinc/90/46/68/461904668.db2.gz LZJXDDDNXSSODZ-OAHLLOKOSA-N 2 2 343.496 3.486 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956307 461909035 /nfs/dbraw/zinc/90/90/35/461909035.db2.gz IAJKXNQPPMTGQC-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956307 461909042 /nfs/dbraw/zinc/90/90/42/461909042.db2.gz IAJKXNQPPMTGQC-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956307 461909047 /nfs/dbraw/zinc/90/90/47/461909047.db2.gz IAJKXNQPPMTGQC-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000647956307 461909054 /nfs/dbraw/zinc/90/90/54/461909054.db2.gz IAJKXNQPPMTGQC-KRWDZBQOSA-N 2 2 344.421 3.371 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000639405898 461911776 /nfs/dbraw/zinc/91/17/76/461911776.db2.gz NYVSBCWWKIAQMK-OAHLLOKOSA-N 2 2 346.496 3.119 20 0 EGADLP Fc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)ccc1Br ZINC000647990401 461927096 /nfs/dbraw/zinc/92/70/96/461927096.db2.gz XLBWGOGVLCASTF-NHYWBVRUSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)ccc1Br ZINC000647990401 461927102 /nfs/dbraw/zinc/92/71/02/461927102.db2.gz XLBWGOGVLCASTF-NHYWBVRUSA-N 2 2 327.241 3.335 20 0 EGADLP CC[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@H]1[NH3+] ZINC000667099717 461949040 /nfs/dbraw/zinc/94/90/40/461949040.db2.gz UNUUUFKZWGBZEG-KBXCAEBGSA-N 2 2 340.427 3.465 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000644626508 462016038 /nfs/dbraw/zinc/01/60/38/462016038.db2.gz ZYRIAMXMVBZDPG-WMZOPIPTSA-N 2 2 330.497 3.208 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000644626508 462016041 /nfs/dbraw/zinc/01/60/41/462016041.db2.gz ZYRIAMXMVBZDPG-WMZOPIPTSA-N 2 2 330.497 3.208 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000644653394 462023631 /nfs/dbraw/zinc/02/36/31/462023631.db2.gz DOFTZZFZXIJODM-LJQANCHMSA-N 2 2 348.437 3.381 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000644653394 462023638 /nfs/dbraw/zinc/02/36/38/462023638.db2.gz DOFTZZFZXIJODM-LJQANCHMSA-N 2 2 348.437 3.381 20 0 EGADLP c1cn(Cc2ccccc2)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639683411 462056908 /nfs/dbraw/zinc/05/69/08/462056908.db2.gz YHGZSEVRXMACNX-UHFFFAOYSA-N 2 2 347.466 3.039 20 0 EGADLP c1cn(Cc2ccccc2)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639683411 462056913 /nfs/dbraw/zinc/05/69/13/462056913.db2.gz YHGZSEVRXMACNX-UHFFFAOYSA-N 2 2 347.466 3.039 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)n1C ZINC000657363624 462073384 /nfs/dbraw/zinc/07/33/84/462073384.db2.gz PTDWMDJSGLYMGE-CQSZACIVSA-N 2 2 338.377 3.116 20 0 EGADLP Clc1ccccc1N1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657374550 462079997 /nfs/dbraw/zinc/07/99/97/462079997.db2.gz NEOSBQRAMDISCM-AWEZNQCLSA-N 2 2 330.863 3.241 20 0 EGADLP Cc1cc(C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)n(-c2ccccc2)n1 ZINC000657414317 462107468 /nfs/dbraw/zinc/10/74/68/462107468.db2.gz WIMXTPSMISKLJY-OAHLLOKOSA-N 2 2 335.455 3.044 20 0 EGADLP Cc1[nH]c(CNC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[nH+]c1C ZINC000657437211 462122084 /nfs/dbraw/zinc/12/20/84/462122084.db2.gz HOYXGSXVLAAJHP-OAHLLOKOSA-N 2 2 340.393 3.438 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cncc(Br)c2C)CC1 ZINC000667534069 462130108 /nfs/dbraw/zinc/13/01/08/462130108.db2.gz LQXDXHIFDBVARV-UHFFFAOYSA-N 2 2 340.309 3.459 20 0 EGADLP c1nc(NCC2CC[NH+](CC3CC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000664646748 462137245 /nfs/dbraw/zinc/13/72/45/462137245.db2.gz KNUUYBBNZXVPHG-UHFFFAOYSA-N 2 2 329.492 3.001 20 0 EGADLP c1nc(N2CCCCC2)cc(NCC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000664646748 462137250 /nfs/dbraw/zinc/13/72/50/462137250.db2.gz KNUUYBBNZXVPHG-UHFFFAOYSA-N 2 2 329.492 3.001 20 0 EGADLP CC(C)Cc1ccc([C@@H](CNCc2c[nH+]c3n2CCC3)[NH+](C)C)cc1 ZINC000657466742 462140352 /nfs/dbraw/zinc/14/03/52/462140352.db2.gz ONULIDIUUIUSEP-HXUWFJFHSA-N 2 2 340.515 3.420 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccnn3CC3CC3)C2)CC1 ZINC000667561415 462143792 /nfs/dbraw/zinc/14/37/92/462143792.db2.gz WGNTZBCBEQGZPX-LJQANCHMSA-N 2 2 330.520 3.237 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccnn3CC3CC3)C2)CC1 ZINC000667561415 462143799 /nfs/dbraw/zinc/14/37/99/462143799.db2.gz WGNTZBCBEQGZPX-LJQANCHMSA-N 2 2 330.520 3.237 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000667561456 462144215 /nfs/dbraw/zinc/14/42/15/462144215.db2.gz XOEPAYUVOKMUCX-QGZVFWFLSA-N 2 2 330.520 3.241 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000667561456 462144221 /nfs/dbraw/zinc/14/42/21/462144221.db2.gz XOEPAYUVOKMUCX-QGZVFWFLSA-N 2 2 330.520 3.241 20 0 EGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000667567016 462148128 /nfs/dbraw/zinc/14/81/28/462148128.db2.gz NNDYCFQEVUKTRO-XLIONFOSSA-N 2 2 325.456 3.429 20 0 EGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000667567016 462148134 /nfs/dbraw/zinc/14/81/34/462148134.db2.gz NNDYCFQEVUKTRO-XLIONFOSSA-N 2 2 325.456 3.429 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000667593021 462163792 /nfs/dbraw/zinc/16/37/92/462163792.db2.gz NLGHVGCYAKVTGO-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000667593021 462163797 /nfs/dbraw/zinc/16/37/97/462163797.db2.gz NLGHVGCYAKVTGO-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000651358900 462194398 /nfs/dbraw/zinc/19/43/98/462194398.db2.gz OMWSLIUHJBBIHI-AWEZNQCLSA-N 3 2 332.879 3.346 20 0 EGADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000657610768 462202744 /nfs/dbraw/zinc/20/27/44/462202744.db2.gz DMEFGOVIPCDNIT-FQEVSTJZSA-N 2 2 337.423 3.358 20 0 EGADLP Cn1cc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000657661191 462219081 /nfs/dbraw/zinc/21/90/81/462219081.db2.gz COGXFVIVHXMQHE-UHFFFAOYSA-N 2 2 348.494 3.370 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661386365 462226462 /nfs/dbraw/zinc/22/64/62/462226462.db2.gz SDGXKTSRBFASNB-UHFFFAOYSA-N 2 2 339.270 3.092 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CCC(CCCn4cc[nH+]c4)CC3)c2c1C ZINC000645209749 462235802 /nfs/dbraw/zinc/23/58/02/462235802.db2.gz NCEGQRGBBFYUSD-UHFFFAOYSA-N 2 2 338.459 3.468 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000657750283 462250109 /nfs/dbraw/zinc/25/01/09/462250109.db2.gz GCQNHVMWGAVKMQ-CQSZACIVSA-N 2 2 346.368 3.187 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750740 462251670 /nfs/dbraw/zinc/25/16/70/462251670.db2.gz CCYQZOKYGOHBFS-QGZVFWFLSA-N 2 2 342.439 3.415 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657823722 462283921 /nfs/dbraw/zinc/28/39/21/462283921.db2.gz AKAZRUKCUJAQQO-GOEBONIOSA-N 2 2 333.501 3.304 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657823722 462283924 /nfs/dbraw/zinc/28/39/24/462283924.db2.gz AKAZRUKCUJAQQO-GOEBONIOSA-N 2 2 333.501 3.304 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647299 462288227 /nfs/dbraw/zinc/28/82/27/462288227.db2.gz KNSSSJOZZQBQJP-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647299 462288230 /nfs/dbraw/zinc/28/82/30/462288230.db2.gz KNSSSJOZZQBQJP-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647299 462288235 /nfs/dbraw/zinc/28/82/35/462288235.db2.gz KNSSSJOZZQBQJP-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651647299 462288240 /nfs/dbraw/zinc/28/82/40/462288240.db2.gz KNSSSJOZZQBQJP-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cn1 ZINC000665253384 462370212 /nfs/dbraw/zinc/37/02/12/462370212.db2.gz PGRNHVRTPDKMAN-NIKGAXFTSA-N 2 2 330.451 3.399 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089593 462378463 /nfs/dbraw/zinc/37/84/63/462378463.db2.gz ABWVUHPRLKHXPO-DLBZAZTESA-N 2 2 334.504 3.487 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089593 462378469 /nfs/dbraw/zinc/37/84/69/462378469.db2.gz ABWVUHPRLKHXPO-DLBZAZTESA-N 2 2 334.504 3.487 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093720 462379764 /nfs/dbraw/zinc/37/97/64/462379764.db2.gz WAUCRJCWBLRMPX-IRXDYDNUSA-N 2 2 331.504 3.483 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093720 462379765 /nfs/dbraw/zinc/37/97/65/462379765.db2.gz WAUCRJCWBLRMPX-IRXDYDNUSA-N 2 2 331.504 3.483 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097370 462382178 /nfs/dbraw/zinc/38/21/78/462382178.db2.gz WUMTWELMOIBPMQ-WMLDXEAASA-N 2 2 334.504 3.406 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097370 462382182 /nfs/dbraw/zinc/38/21/82/462382182.db2.gz WUMTWELMOIBPMQ-WMLDXEAASA-N 2 2 334.504 3.406 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000665298417 462390855 /nfs/dbraw/zinc/39/08/55/462390855.db2.gz VTISJNIGDGUVDF-LRDDRELGSA-N 2 2 341.293 3.114 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230296 462436377 /nfs/dbraw/zinc/43/63/77/462436377.db2.gz XRHIBMCANOXCCI-QZTJIDSGSA-N 2 2 335.536 3.164 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230296 462436383 /nfs/dbraw/zinc/43/63/83/462436383.db2.gz XRHIBMCANOXCCI-QZTJIDSGSA-N 2 2 335.536 3.164 20 0 EGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000658229959 462437073 /nfs/dbraw/zinc/43/70/73/462437073.db2.gz VNDZNMRZJXYEOX-GOSISDBHSA-N 3 2 328.504 3.047 20 0 EGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000658229959 462437075 /nfs/dbraw/zinc/43/70/75/462437075.db2.gz VNDZNMRZJXYEOX-GOSISDBHSA-N 3 2 328.504 3.047 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640602238 462451596 /nfs/dbraw/zinc/45/15/96/462451596.db2.gz UVCUDBHPGJLRPL-HNNXBMFYSA-N 2 2 342.447 3.123 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658292818 462460723 /nfs/dbraw/zinc/46/07/23/462460723.db2.gz BVBDSPKCFBFTML-ACRUOGEOSA-N 2 2 328.500 3.340 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CSc3ccc(Br)cc32)n1C ZINC000575073269 518193275 /nfs/dbraw/zinc/19/32/75/518193275.db2.gz XMUAFDWOEHVUPI-CYBMUJFWSA-N 2 2 338.274 3.428 20 0 EGADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)n2C ZINC000187585045 534454405 /nfs/dbraw/zinc/45/44/05/534454405.db2.gz VQMIFMWKSWOZDE-UHFFFAOYSA-N 2 2 349.482 3.031 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187563053 526702821 /nfs/dbraw/zinc/70/28/21/526702821.db2.gz BMPJUBYWRIYTHG-XVAXZDLZSA-N 2 2 345.531 3.180 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187563053 526702823 /nfs/dbraw/zinc/70/28/23/526702823.db2.gz BMPJUBYWRIYTHG-XVAXZDLZSA-N 2 2 345.531 3.180 20 0 EGADLP CC[NH+]1CCN(c2cccc(NCc3cccc4[nH+]ccn43)c2)CC1 ZINC000191885358 527710720 /nfs/dbraw/zinc/71/07/20/527710720.db2.gz KAZTWDHHMJECNB-UHFFFAOYSA-N 2 2 335.455 3.088 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H](C)C1 ZINC000164332745 527805788 /nfs/dbraw/zinc/80/57/88/527805788.db2.gz XXPKVAYFRNFNHD-UYAOXDASSA-N 2 2 340.515 3.336 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H](C)C1 ZINC000164332745 527805792 /nfs/dbraw/zinc/80/57/92/527805792.db2.gz XXPKVAYFRNFNHD-UYAOXDASSA-N 2 2 340.515 3.336 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807618 /nfs/dbraw/zinc/80/76/18/527807618.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807624 /nfs/dbraw/zinc/80/76/24/527807624.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807627 /nfs/dbraw/zinc/80/76/27/527807627.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000133025024 527807633 /nfs/dbraw/zinc/80/76/33/527807633.db2.gz CQLVGNNCXHCXGG-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970502 527851825 /nfs/dbraw/zinc/85/18/25/527851825.db2.gz CTISHSNLOSYSBY-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970502 527851831 /nfs/dbraw/zinc/85/18/31/527851831.db2.gz CTISHSNLOSYSBY-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970502 527851833 /nfs/dbraw/zinc/85/18/33/527851833.db2.gz CTISHSNLOSYSBY-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970502 527851836 /nfs/dbraw/zinc/85/18/36/527851836.db2.gz CTISHSNLOSYSBY-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000191397061 528069818 /nfs/dbraw/zinc/06/98/18/528069818.db2.gz LPZRJECYLUGCSW-UHFFFAOYSA-N 2 2 343.475 3.283 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187373775 528176677 /nfs/dbraw/zinc/17/66/77/528176677.db2.gz DUHMHILJTFQTAN-SFHVURJKSA-N 2 2 344.478 3.234 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187373775 528176680 /nfs/dbraw/zinc/17/66/80/528176680.db2.gz DUHMHILJTFQTAN-SFHVURJKSA-N 2 2 344.478 3.234 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnc21 ZINC000173874534 528662001 /nfs/dbraw/zinc/66/20/01/528662001.db2.gz WVNOOFGZJGPLBX-QGZVFWFLSA-N 2 2 341.503 3.320 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnc21 ZINC000173874534 528662007 /nfs/dbraw/zinc/66/20/07/528662007.db2.gz WVNOOFGZJGPLBX-QGZVFWFLSA-N 2 2 341.503 3.320 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059822 546702365 /nfs/dbraw/zinc/70/23/65/546702365.db2.gz CLMWLYRTBNEINZ-DYESRHJHSA-N 3 2 347.547 3.398 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000163738264 546974537 /nfs/dbraw/zinc/97/45/37/546974537.db2.gz RCFJMWUIADMCOZ-CYBMUJFWSA-N 2 2 341.293 3.211 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072651 547567980 /nfs/dbraw/zinc/56/79/80/547567980.db2.gz YHXAFNJHSSXPJX-UIFIKXQLSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072651 547567984 /nfs/dbraw/zinc/56/79/84/547567984.db2.gz YHXAFNJHSSXPJX-UIFIKXQLSA-N 3 2 327.516 3.428 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541932 547827604 /nfs/dbraw/zinc/82/76/04/547827604.db2.gz HNSORXKMEVQWCS-SLFFLAALSA-N 2 2 346.515 3.071 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541932 547827607 /nfs/dbraw/zinc/82/76/07/547827607.db2.gz HNSORXKMEVQWCS-SLFFLAALSA-N 2 2 346.515 3.071 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494945138 547994376 /nfs/dbraw/zinc/99/43/76/547994376.db2.gz FJUKJPFGVQHOTQ-HOTGVXAUSA-N 2 2 348.560 3.011 20 0 EGADLP C[C@H](CC[N@H+](C)Cc1cccc(O)c1)[NH+](C)Cc1cccc(O)c1 ZINC000532567982 548040924 /nfs/dbraw/zinc/04/09/24/548040924.db2.gz QYGQPCBFIHGQTN-MRXNPFEDSA-N 2 2 328.456 3.440 20 0 EGADLP C[C@H](CC[N@@H+](C)Cc1cccc(O)c1)[NH+](C)Cc1cccc(O)c1 ZINC000532567982 548040927 /nfs/dbraw/zinc/04/09/27/548040927.db2.gz QYGQPCBFIHGQTN-MRXNPFEDSA-N 2 2 328.456 3.440 20 0 EGADLP C[C@H](CC[NH+](C)Cc1cccc(O)c1)[N@H+](C)Cc1cccc(O)c1 ZINC000532567982 548040931 /nfs/dbraw/zinc/04/09/31/548040931.db2.gz QYGQPCBFIHGQTN-MRXNPFEDSA-N 2 2 328.456 3.440 20 0 EGADLP C[C@H](CC[NH+](C)Cc1cccc(O)c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000532567982 548040933 /nfs/dbraw/zinc/04/09/33/548040933.db2.gz QYGQPCBFIHGQTN-MRXNPFEDSA-N 2 2 328.456 3.440 20 0 EGADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670271185 548194948 /nfs/dbraw/zinc/19/49/48/548194948.db2.gz IXJYWXMRYVLERC-PZJWPPBQSA-N 2 2 330.516 3.300 20 0 EGADLP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670271185 548194953 /nfs/dbraw/zinc/19/49/53/548194953.db2.gz IXJYWXMRYVLERC-PZJWPPBQSA-N 2 2 330.516 3.300 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985541 548242827 /nfs/dbraw/zinc/24/28/27/548242827.db2.gz CMVHYKJOPHVSQX-QGZVFWFLSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985541 548242832 /nfs/dbraw/zinc/24/28/32/548242832.db2.gz CMVHYKJOPHVSQX-QGZVFWFLSA-N 2 2 338.879 3.035 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000675776676 548978748 /nfs/dbraw/zinc/97/87/48/548978748.db2.gz HIUAUDWQGKIDPY-LJQANCHMSA-N 2 2 327.472 3.246 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000675776674 548979322 /nfs/dbraw/zinc/97/93/22/548979322.db2.gz HIUAUDWQGKIDPY-IBGZPJMESA-N 2 2 327.472 3.246 20 0 EGADLP COc1ccc(F)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882608 548996496 /nfs/dbraw/zinc/99/64/96/548996496.db2.gz STHKNHMHWFHORI-PBHICJAKSA-N 2 2 336.451 3.128 20 0 EGADLP c1cc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cs1 ZINC000676321436 549069219 /nfs/dbraw/zinc/06/92/19/549069219.db2.gz GEIFGMRJTRNQQO-UHFFFAOYSA-N 2 2 342.468 3.111 20 0 EGADLP COc1ccc(C)cc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000677001903 549191780 /nfs/dbraw/zinc/19/17/80/549191780.db2.gz UHOAYYQGRDERLZ-UHFFFAOYSA-N 2 2 346.394 3.140 20 0 EGADLP CC[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000677214327 549232105 /nfs/dbraw/zinc/23/21/05/549232105.db2.gz UDOXMOFZVSCLIW-OAHLLOKOSA-N 2 2 340.427 3.432 20 0 EGADLP CC[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000677214327 549232107 /nfs/dbraw/zinc/23/21/07/549232107.db2.gz UDOXMOFZVSCLIW-OAHLLOKOSA-N 2 2 340.427 3.432 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479649 549277830 /nfs/dbraw/zinc/27/78/30/549277830.db2.gz LDTRPGJODKJMEZ-QAPCUYQASA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479649 549277834 /nfs/dbraw/zinc/27/78/34/549277834.db2.gz LDTRPGJODKJMEZ-QAPCUYQASA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479649 549277839 /nfs/dbraw/zinc/27/78/39/549277839.db2.gz LDTRPGJODKJMEZ-QAPCUYQASA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479649 549277842 /nfs/dbraw/zinc/27/78/42/549277842.db2.gz LDTRPGJODKJMEZ-QAPCUYQASA-N 2 2 346.519 3.050 20 0 EGADLP Cc1ccc(OC(F)F)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000678126943 549402546 /nfs/dbraw/zinc/40/25/46/549402546.db2.gz BENYDMGTVNIBOY-UHFFFAOYSA-N 2 2 333.382 3.314 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235461 549436522 /nfs/dbraw/zinc/43/65/22/549436522.db2.gz UHKLOQHAMZRQBR-ZDUSSCGKSA-N 2 2 336.233 3.188 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235461 549436527 /nfs/dbraw/zinc/43/65/27/549436527.db2.gz UHKLOQHAMZRQBR-ZDUSSCGKSA-N 2 2 336.233 3.188 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234734 549436538 /nfs/dbraw/zinc/43/65/38/549436538.db2.gz KJTMEGPCEQRLMV-OAHLLOKOSA-N 2 2 325.391 3.249 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234734 549436542 /nfs/dbraw/zinc/43/65/42/549436542.db2.gz KJTMEGPCEQRLMV-OAHLLOKOSA-N 2 2 325.391 3.249 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3ccsc3)c2cc1C ZINC000678586271 549524754 /nfs/dbraw/zinc/52/47/54/549524754.db2.gz DBYGCXYLZPDGST-ZBFHGGJFSA-N 2 2 329.469 3.426 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)s1 ZINC000678599190 549528024 /nfs/dbraw/zinc/52/80/24/549528024.db2.gz WTLPPUPDXJYOIC-JCURWCKSSA-N 2 2 337.533 3.178 20 0 EGADLP Cc1nc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000678939408 549599896 /nfs/dbraw/zinc/59/98/96/549599896.db2.gz STMXMVYQGUNBRC-BLLLJJGKSA-N 2 2 345.516 3.468 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545274 549731691 /nfs/dbraw/zinc/73/16/91/549731691.db2.gz JPILKUMZWNBZGA-DJIMGWMZSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545274 549731693 /nfs/dbraw/zinc/73/16/93/549731693.db2.gz JPILKUMZWNBZGA-DJIMGWMZSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679545274 549731698 /nfs/dbraw/zinc/73/16/98/549731698.db2.gz JPILKUMZWNBZGA-DJIMGWMZSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679545274 549731702 /nfs/dbraw/zinc/73/17/02/549731702.db2.gz JPILKUMZWNBZGA-DJIMGWMZSA-N 2 2 344.421 3.142 20 0 EGADLP CC(C)(C)n1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1 ZINC000682994591 550174586 /nfs/dbraw/zinc/17/45/86/550174586.db2.gz VLMPBSQPGLXKNA-UHFFFAOYSA-N 2 2 333.524 3.121 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)CCc1ccccc1 ZINC000683009183 550177578 /nfs/dbraw/zinc/17/75/78/550177578.db2.gz IUNAPTDSEIMTPK-UHFFFAOYSA-N 2 2 335.451 3.218 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)CCc1ccccc1 ZINC000683009183 550177581 /nfs/dbraw/zinc/17/75/81/550177581.db2.gz IUNAPTDSEIMTPK-UHFFFAOYSA-N 2 2 335.451 3.218 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3cccs3)cc2)CC1 ZINC000683519999 550238567 /nfs/dbraw/zinc/23/85/67/550238567.db2.gz DOUWFFCLXIBZAT-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3cccs3)cc2)CC1 ZINC000683519999 550238570 /nfs/dbraw/zinc/23/85/70/550238570.db2.gz DOUWFFCLXIBZAT-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP Cc1cccn2cc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)[nH+]c12 ZINC000684211639 550305430 /nfs/dbraw/zinc/30/54/30/550305430.db2.gz GRVPSBAKFYCWNB-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccn2cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)[nH+]c12 ZINC000684211639 550305431 /nfs/dbraw/zinc/30/54/31/550305431.db2.gz GRVPSBAKFYCWNB-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684577465 550344918 /nfs/dbraw/zinc/34/49/18/550344918.db2.gz XIAPLGXVTSVIBQ-HNNXBMFYSA-N 2 2 334.423 3.219 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000684821249 550373382 /nfs/dbraw/zinc/37/33/82/550373382.db2.gz YAQMKNUNUQHBKB-QGZVFWFLSA-N 2 2 338.386 3.077 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000684821249 550373385 /nfs/dbraw/zinc/37/33/85/550373385.db2.gz YAQMKNUNUQHBKB-QGZVFWFLSA-N 2 2 338.386 3.077 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000685876321 550450636 /nfs/dbraw/zinc/45/06/36/550450636.db2.gz KRKQSRPVKASTHR-IRXDYDNUSA-N 2 2 332.492 3.221 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000729681844 574878116 /nfs/dbraw/zinc/87/81/16/574878116.db2.gz KWALKNNXQSNYFV-KRWDZBQOSA-N 2 2 326.440 3.165 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(-c2ccccc2)cc1OC ZINC000729681844 574878117 /nfs/dbraw/zinc/87/81/17/574878117.db2.gz KWALKNNXQSNYFV-KRWDZBQOSA-N 2 2 326.440 3.165 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC000734509880 575504727 /nfs/dbraw/zinc/50/47/27/575504727.db2.gz NDDHVBMLULYJBW-ZFWWWQNUSA-N 2 2 348.393 3.178 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000734509880 575504730 /nfs/dbraw/zinc/50/47/30/575504730.db2.gz NDDHVBMLULYJBW-ZFWWWQNUSA-N 2 2 348.393 3.178 20 0 EGADLP CCn1cc(CNc2[nH+]c3ccccc3n2CC[NH+](CC)CC)cn1 ZINC000678997696 576172427 /nfs/dbraw/zinc/17/24/27/576172427.db2.gz HZSCFEBMFJPQLN-UHFFFAOYSA-N 2 2 340.475 3.207 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nccn3C(F)F)CC2)cc1 ZINC000742378324 576776325 /nfs/dbraw/zinc/77/63/25/576776325.db2.gz RPVIZOZYXFAMRP-UHFFFAOYSA-N 2 2 349.429 3.103 20 0 EGADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409497 576808780 /nfs/dbraw/zinc/80/87/80/576808780.db2.gz WTOTUKGXGIJQHW-QGZVFWFLSA-N 2 2 349.569 3.122 20 0 EGADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409497 576808781 /nfs/dbraw/zinc/80/87/81/576808781.db2.gz WTOTUKGXGIJQHW-QGZVFWFLSA-N 2 2 349.569 3.122 20 0 EGADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409497 576808782 /nfs/dbraw/zinc/80/87/82/576808782.db2.gz WTOTUKGXGIJQHW-QGZVFWFLSA-N 2 2 349.569 3.122 20 0 EGADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409497 576808783 /nfs/dbraw/zinc/80/87/83/576808783.db2.gz WTOTUKGXGIJQHW-QGZVFWFLSA-N 2 2 349.569 3.122 20 0 EGADLP CN(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000048777570 1291619168 /nfs/dbraw/zinc/61/91/68/1291619168.db2.gz LBVZHQSIKJNQGL-HXUWFJFHSA-N 2 2 338.430 3.404 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)c2)nc1 ZINC000067693921 1292168538 /nfs/dbraw/zinc/16/85/38/1292168538.db2.gz IKFGZKBCPNSPNM-LEWJYISDSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)c2)nc1 ZINC000067693921 1292168542 /nfs/dbraw/zinc/16/85/42/1292168542.db2.gz IKFGZKBCPNSPNM-LEWJYISDSA-N 2 2 337.467 3.377 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000069784018 1292252958 /nfs/dbraw/zinc/25/29/58/1292252958.db2.gz NORZWTRWEXXSPH-CQSZACIVSA-N 2 2 326.916 3.409 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000077402162 1292462476 /nfs/dbraw/zinc/46/24/76/1292462476.db2.gz SXEAGPVTALSUSP-SFHVURJKSA-N 2 2 341.434 3.412 20 0 EGADLP Fc1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)ccc1-n1cc[nH+]c1 ZINC000078876578 1292532029 /nfs/dbraw/zinc/53/20/29/1292532029.db2.gz IHZCJSSPMYNVRA-UHFFFAOYSA-N 2 2 339.370 3.072 20 0 EGADLP CCOc1ncccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000078908216 1292532800 /nfs/dbraw/zinc/53/28/00/1292532800.db2.gz RHRSSYUCTQSORZ-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000079000512 1292539553 /nfs/dbraw/zinc/53/95/53/1292539553.db2.gz NADZRPQNJQRNRW-SFHVURJKSA-N 2 2 347.459 3.113 20 0 EGADLP C[S@@](=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000080344044 1292596541 /nfs/dbraw/zinc/59/65/41/1292596541.db2.gz DCKJJKPGBNNEOC-DEOSSOPVSA-N 2 2 343.427 3.039 20 0 EGADLP C[N@H+](CCc1cccs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969025 1292632816 /nfs/dbraw/zinc/63/28/16/1292632816.db2.gz RGUMEUVVMJAZJF-UHFFFAOYSA-N 2 2 329.513 3.325 20 0 EGADLP C[N@@H+](CCc1cccs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969025 1292632822 /nfs/dbraw/zinc/63/28/22/1292632822.db2.gz RGUMEUVVMJAZJF-UHFFFAOYSA-N 2 2 329.513 3.325 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089154539 1292758720 /nfs/dbraw/zinc/75/87/20/1292758720.db2.gz DDQNXPFGAITLBO-GOSISDBHSA-N 2 2 339.524 3.098 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089154539 1292758725 /nfs/dbraw/zinc/75/87/25/1292758725.db2.gz DDQNXPFGAITLBO-GOSISDBHSA-N 2 2 339.524 3.098 20 0 EGADLP Cc1csc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n1 ZINC000117385254 1293220306 /nfs/dbraw/zinc/22/03/06/1293220306.db2.gz ZCXIZDKHHOPKSN-CQSZACIVSA-N 2 2 348.491 3.193 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000120755561 1293336041 /nfs/dbraw/zinc/33/60/41/1293336041.db2.gz NLMWUTUMANYKEK-CQSZACIVSA-N 2 2 326.916 3.094 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120755561 1293336046 /nfs/dbraw/zinc/33/60/46/1293336046.db2.gz NLMWUTUMANYKEK-CQSZACIVSA-N 2 2 326.916 3.094 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000121592197 1293378755 /nfs/dbraw/zinc/37/87/55/1293378755.db2.gz AVDDYNKBKQMBNX-HXUWFJFHSA-N 3 2 343.559 3.405 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000131029560 1293676865 /nfs/dbraw/zinc/67/68/65/1293676865.db2.gz OKLDXOIRDXJCJK-OAHLLOKOSA-N 2 2 339.439 3.126 20 0 EGADLP COc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131117505 1293680041 /nfs/dbraw/zinc/68/00/41/1293680041.db2.gz MHHIZMNYEYHSIH-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177331501 1294665144 /nfs/dbraw/zinc/66/51/44/1294665144.db2.gz KDNFFQHTGFTOLP-KRWDZBQOSA-N 2 2 339.524 3.240 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177331501 1294665155 /nfs/dbraw/zinc/66/51/55/1294665155.db2.gz KDNFFQHTGFTOLP-KRWDZBQOSA-N 2 2 339.524 3.240 20 0 EGADLP Cc1n[nH]cc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000180642783 1294904816 /nfs/dbraw/zinc/90/48/16/1294904816.db2.gz LMNUNMKMNBMHFD-AWEZNQCLSA-N 2 2 327.476 3.104 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000181026413 1294932149 /nfs/dbraw/zinc/93/21/49/1294932149.db2.gz CFSSQXRWIGQHPF-AEFFLSMTSA-N 2 2 330.472 3.115 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@H+]1C1CC1 ZINC000181026413 1294932158 /nfs/dbraw/zinc/93/21/58/1294932158.db2.gz CFSSQXRWIGQHPF-AEFFLSMTSA-N 2 2 330.472 3.115 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000181026472 1294932410 /nfs/dbraw/zinc/93/24/10/1294932410.db2.gz CFSSQXRWIGQHPF-FUHWJXTLSA-N 2 2 330.472 3.115 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@H+]1C1CC1 ZINC000181026472 1294932424 /nfs/dbraw/zinc/93/24/24/1294932424.db2.gz CFSSQXRWIGQHPF-FUHWJXTLSA-N 2 2 330.472 3.115 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192663416 1295787752 /nfs/dbraw/zinc/78/77/52/1295787752.db2.gz YYUGMPGGVGNFGI-NSHDSACASA-N 2 2 335.275 3.318 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192663416 1295787758 /nfs/dbraw/zinc/78/77/58/1295787758.db2.gz YYUGMPGGVGNFGI-NSHDSACASA-N 2 2 335.275 3.318 20 0 EGADLP c1cc(C[NH2+]CC2CCCCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000236572549 1296190140 /nfs/dbraw/zinc/19/01/40/1296190140.db2.gz ZLQMKOZYYXIJDA-UHFFFAOYSA-N 2 2 332.488 3.068 20 0 EGADLP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262196439 1296621782 /nfs/dbraw/zinc/62/17/82/1296621782.db2.gz ZKTJQQHQMLTZKC-OAQYLSRUSA-N 2 2 344.499 3.208 20 0 EGADLP Cc1nc(NCC[N@@H+](C)C2CCCC2)c(Br)c(C)[nH+]1 ZINC000323317496 1297196207 /nfs/dbraw/zinc/19/62/07/1297196207.db2.gz RPZUWXGOBIOUIO-UHFFFAOYSA-N 2 2 327.270 3.142 20 0 EGADLP Cc1nc(NCC[N@H+](C)C2CCCC2)c(Br)c(C)[nH+]1 ZINC000323317496 1297196216 /nfs/dbraw/zinc/19/62/16/1297196216.db2.gz RPZUWXGOBIOUIO-UHFFFAOYSA-N 2 2 327.270 3.142 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211422 1297356373 /nfs/dbraw/zinc/35/63/73/1297356373.db2.gz ZVGZUEJTANYFAJ-SFHVURJKSA-N 3 2 329.513 3.307 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365648316 1297508227 /nfs/dbraw/zinc/50/82/27/1297508227.db2.gz IJHRGSPSMXZMFF-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365648316 1297508234 /nfs/dbraw/zinc/50/82/34/1297508234.db2.gz IJHRGSPSMXZMFF-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664077 1297508400 /nfs/dbraw/zinc/50/84/00/1297508400.db2.gz PASDGHVWPOMNAV-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664077 1297508406 /nfs/dbraw/zinc/50/84/06/1297508406.db2.gz PASDGHVWPOMNAV-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000392071851 1297650932 /nfs/dbraw/zinc/65/09/32/1297650932.db2.gz WCXGMOQUFIOHTL-ILZDJORESA-N 2 2 332.488 3.235 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000392071851 1297650935 /nfs/dbraw/zinc/65/09/35/1297650935.db2.gz WCXGMOQUFIOHTL-ILZDJORESA-N 2 2 332.488 3.235 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881221 1298153321 /nfs/dbraw/zinc/15/33/21/1298153321.db2.gz ZFJIOKWPBFKWEP-OWCLPIDISA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881221 1298153326 /nfs/dbraw/zinc/15/33/26/1298153326.db2.gz ZFJIOKWPBFKWEP-OWCLPIDISA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC000693879502 1298153625 /nfs/dbraw/zinc/15/36/25/1298153625.db2.gz SMAFGKZTSJRBDJ-HNNXBMFYSA-N 2 2 341.540 3.484 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000693879502 1298153629 /nfs/dbraw/zinc/15/36/29/1298153629.db2.gz SMAFGKZTSJRBDJ-HNNXBMFYSA-N 2 2 341.540 3.484 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525983 1298241177 /nfs/dbraw/zinc/24/11/77/1298241177.db2.gz DEMJCCUBDIRGLO-HKUYNNGSSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525983 1298241186 /nfs/dbraw/zinc/24/11/86/1298241186.db2.gz DEMJCCUBDIRGLO-HKUYNNGSSA-N 2 2 348.494 3.431 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000724026594 1298344256 /nfs/dbraw/zinc/34/42/56/1298344256.db2.gz GREWXBNKCXRQHC-DLBZAZTESA-N 2 2 339.524 3.145 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccccc2Br)C1 ZINC000878166701 1299789928 /nfs/dbraw/zinc/78/99/28/1299789928.db2.gz CLDXMUQYSKMJPE-CQSZACIVSA-N 2 2 325.294 3.265 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccc2Br)C1 ZINC000878166701 1299789934 /nfs/dbraw/zinc/78/99/34/1299789934.db2.gz CLDXMUQYSKMJPE-CQSZACIVSA-N 2 2 325.294 3.265 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC000878166701 1299789939 /nfs/dbraw/zinc/78/99/39/1299789939.db2.gz CLDXMUQYSKMJPE-CQSZACIVSA-N 2 2 325.294 3.265 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2Br)C1 ZINC000878166701 1299789944 /nfs/dbraw/zinc/78/99/44/1299789944.db2.gz CLDXMUQYSKMJPE-CQSZACIVSA-N 2 2 325.294 3.265 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878667834 1300135093 /nfs/dbraw/zinc/13/50/93/1300135093.db2.gz CMXVFSCWBPXTGH-WOJBJXKFSA-N 2 2 346.515 3.122 20 0 EGADLP COc1ccc([C@@H]2COCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000879739438 1300708142 /nfs/dbraw/zinc/70/81/42/1300708142.db2.gz RPQJOBZWHRMVIV-IBGZPJMESA-N 2 2 329.444 3.054 20 0 EGADLP COc1ccc([C@@H]2COCC[N@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000879739438 1300708153 /nfs/dbraw/zinc/70/81/53/1300708153.db2.gz RPQJOBZWHRMVIV-IBGZPJMESA-N 2 2 329.444 3.054 20 0 EGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201185 1300981141 /nfs/dbraw/zinc/98/11/41/1300981141.db2.gz HJTSZRFKWWGBOZ-VQIMIIECSA-N 2 2 332.488 3.032 20 0 EGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201185 1300981152 /nfs/dbraw/zinc/98/11/52/1300981152.db2.gz HJTSZRFKWWGBOZ-VQIMIIECSA-N 2 2 332.488 3.032 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880571863 1301165693 /nfs/dbraw/zinc/16/56/93/1301165693.db2.gz UNELFINPVJVMQS-IBGZPJMESA-N 2 2 337.423 3.431 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)ccc1-n1cc[nH+]c1 ZINC000762619378 1301715310 /nfs/dbraw/zinc/71/53/10/1301715310.db2.gz YRRLVHKSLLXNPO-DJIMGWMZSA-N 2 2 349.500 3.481 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882951833 1302181007 /nfs/dbraw/zinc/18/10/07/1302181007.db2.gz WVSHPHSRLLXSDC-QZTJIDSGSA-N 2 2 338.455 3.148 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000765472949 1302270338 /nfs/dbraw/zinc/27/03/38/1302270338.db2.gz UMLFGWMEVFOFOH-GOSISDBHSA-N 3 2 344.547 3.043 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000765472949 1302270342 /nfs/dbraw/zinc/27/03/42/1302270342.db2.gz UMLFGWMEVFOFOH-GOSISDBHSA-N 3 2 344.547 3.043 20 0 EGADLP CC[C@H](C[C@H](C)CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766359910 1302438267 /nfs/dbraw/zinc/43/82/67/1302438267.db2.gz IKQVREMOLYTECB-DLBZAZTESA-N 2 2 333.520 3.108 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769687920 1303158979 /nfs/dbraw/zinc/15/89/79/1303158979.db2.gz GSIKBTKTUXZBIK-BZUAXINKSA-N 2 2 327.513 3.142 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769687920 1303158984 /nfs/dbraw/zinc/15/89/84/1303158984.db2.gz GSIKBTKTUXZBIK-BZUAXINKSA-N 2 2 327.513 3.142 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615443 1303525914 /nfs/dbraw/zinc/52/59/14/1303525914.db2.gz GLOBHDPYYXELHW-DNVCBOLYSA-N 2 2 345.462 3.121 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615443 1303525919 /nfs/dbraw/zinc/52/59/19/1303525919.db2.gz GLOBHDPYYXELHW-DNVCBOLYSA-N 2 2 345.462 3.121 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)[nH+]c1C ZINC000886667478 1303547667 /nfs/dbraw/zinc/54/76/67/1303547667.db2.gz BIWNTSIUNCZXTH-UHFFFAOYSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000772875524 1303588811 /nfs/dbraw/zinc/58/88/11/1303588811.db2.gz NLQWYBXARBQWTF-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000772875524 1303588813 /nfs/dbraw/zinc/58/88/13/1303588813.db2.gz NLQWYBXARBQWTF-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCOC2(CCC2)C1 ZINC000886773954 1303594679 /nfs/dbraw/zinc/59/46/79/1303594679.db2.gz FBLHQHZQXDKLRK-LJQANCHMSA-N 2 2 329.488 3.379 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867330 1303619766 /nfs/dbraw/zinc/61/97/66/1303619766.db2.gz CNANBYIYBCBOAR-HNAYVOBHSA-N 2 2 349.906 3.441 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867330 1303619774 /nfs/dbraw/zinc/61/97/74/1303619774.db2.gz CNANBYIYBCBOAR-HNAYVOBHSA-N 2 2 349.906 3.441 20 0 EGADLP Fc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)co1 ZINC000886874787 1303622300 /nfs/dbraw/zinc/62/23/00/1303622300.db2.gz WVABBYKRJBAQAB-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccccc1-c1nc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)co1 ZINC000886874787 1303622307 /nfs/dbraw/zinc/62/23/07/1303622307.db2.gz WVABBYKRJBAQAB-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCCO1 ZINC000773101304 1303624844 /nfs/dbraw/zinc/62/48/44/1303624844.db2.gz BGTAKPAPNPGRSI-PMACEKPBSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000774969698 1303884158 /nfs/dbraw/zinc/88/41/58/1303884158.db2.gz VBPRWSKLZJGDKW-QGZVFWFLSA-N 2 2 325.456 3.407 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775377310 1303949887 /nfs/dbraw/zinc/94/98/87/1303949887.db2.gz WSDLSUVCCYVDRV-QPSCCSFWSA-N 2 2 325.547 3.267 20 0 EGADLP CO[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000775420567 1303961573 /nfs/dbraw/zinc/96/15/73/1303961573.db2.gz YCINIORYYLYYGA-OXJNMPFZSA-N 2 2 331.504 3.126 20 0 EGADLP CC(C)(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000775542421 1303981027 /nfs/dbraw/zinc/98/10/27/1303981027.db2.gz LCWYNSCIDWEUDR-PBHICJAKSA-N 2 2 326.431 3.098 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000775691440 1304017292 /nfs/dbraw/zinc/01/72/92/1304017292.db2.gz VDGSHGJVYJINJN-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000775691440 1304017298 /nfs/dbraw/zinc/01/72/98/1304017298.db2.gz VDGSHGJVYJINJN-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073411 1304526338 /nfs/dbraw/zinc/52/63/38/1304526338.db2.gz OZTXHDICNRBNDB-IXDOHACOSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073411 1304526341 /nfs/dbraw/zinc/52/63/41/1304526341.db2.gz OZTXHDICNRBNDB-IXDOHACOSA-N 2 2 339.524 3.001 20 0 EGADLP CCn1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000892600669 1305462346 /nfs/dbraw/zinc/46/23/46/1305462346.db2.gz MATIDHNPVRPNHR-IAGOWNOFSA-N 2 2 341.503 3.066 20 0 EGADLP Oc1cc(Cl)cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000892616029 1305472323 /nfs/dbraw/zinc/47/23/23/1305472323.db2.gz WVDATUSKEZVLFA-UHFFFAOYSA-N 2 2 346.858 3.168 20 0 EGADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(Cc3ccccc3)nn2)c1 ZINC000892939371 1305617240 /nfs/dbraw/zinc/61/72/40/1305617240.db2.gz ZITPRJLALPLCGF-UHFFFAOYSA-N 2 2 349.482 3.068 20 0 EGADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(Cc3ccccc3)nn2)c1 ZINC000892939371 1305617246 /nfs/dbraw/zinc/61/72/46/1305617246.db2.gz ZITPRJLALPLCGF-UHFFFAOYSA-N 2 2 349.482 3.068 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787273772 1305725200 /nfs/dbraw/zinc/72/52/00/1305725200.db2.gz YKSASOCTRKHSHT-UHFFFAOYSA-N 2 2 332.757 3.472 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787273772 1305725210 /nfs/dbraw/zinc/72/52/10/1305725210.db2.gz YKSASOCTRKHSHT-UHFFFAOYSA-N 2 2 332.757 3.472 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000788505083 1305958434 /nfs/dbraw/zinc/95/84/34/1305958434.db2.gz RWJNTFTWZJWCLC-DLBZAZTESA-N 2 2 348.491 3.041 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752167 1306008400 /nfs/dbraw/zinc/00/84/00/1306008400.db2.gz BVAFIKPRXVLWPF-DNVCBOLYSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1cc[nH]c(=O)c1 ZINC000788752167 1306008409 /nfs/dbraw/zinc/00/84/09/1306008409.db2.gz BVAFIKPRXVLWPF-DNVCBOLYSA-N 2 2 325.456 3.348 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789314883 1306139141 /nfs/dbraw/zinc/13/91/41/1306139141.db2.gz LSCKGCCGHYGHEN-UHFFFAOYSA-N 2 2 334.851 3.031 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(C)n1 ZINC000793521651 1309392258 /nfs/dbraw/zinc/39/22/58/1309392258.db2.gz DINGPVJMQMZBGK-KRWDZBQOSA-N 2 2 326.488 3.086 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(SC)CCCCC2)CC1 ZINC000895812291 1309532089 /nfs/dbraw/zinc/53/20/89/1309532089.db2.gz NTFFATUPRFUNAA-UHFFFAOYSA-N 2 2 342.549 3.060 20 0 EGADLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)c1OC ZINC000896193734 1309738971 /nfs/dbraw/zinc/73/89/71/1309738971.db2.gz GCKKFMSPURQPCZ-UHFFFAOYSA-N 2 2 341.455 3.484 20 0 EGADLP COc1cccc2c(NC[C@@H]3CC[N@@H+]3C3CCOCC3)c(C)c[nH+]c12 ZINC000896521814 1309900497 /nfs/dbraw/zinc/90/04/97/1309900497.db2.gz FVJUCAXOBYBRPL-INIZCTEOSA-N 2 2 341.455 3.217 20 0 EGADLP COc1cccc2c(NC[C@@H]3CC[N@H+]3C3CCOCC3)c(C)c[nH+]c12 ZINC000896521814 1309900506 /nfs/dbraw/zinc/90/05/06/1309900506.db2.gz FVJUCAXOBYBRPL-INIZCTEOSA-N 2 2 341.455 3.217 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@@H+]1C ZINC000796310704 1309963041 /nfs/dbraw/zinc/96/30/41/1309963041.db2.gz BUPMIUZVKYLVQZ-CMPLNLGQSA-N 2 2 327.259 3.213 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@H+]1C ZINC000796310704 1309963047 /nfs/dbraw/zinc/96/30/47/1309963047.db2.gz BUPMIUZVKYLVQZ-CMPLNLGQSA-N 2 2 327.259 3.213 20 0 EGADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000897992206 1310543542 /nfs/dbraw/zinc/54/35/42/1310543542.db2.gz SXMNAKRUHKDSKQ-LJQANCHMSA-N 2 2 341.455 3.063 20 0 EGADLP c1cn(-c2cccc(-c3noc([C@H]4C[C@@H]4C4CC[NH2+]CC4)n3)c2)c[nH+]1 ZINC000822808598 1320125267 /nfs/dbraw/zinc/12/52/67/1320125267.db2.gz WEBLUVVTQZXDHQ-SJORKVTESA-N 2 2 335.411 3.025 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+][C@@H]3CCc4ccccc43)C2)c(C)[nH+]1 ZINC001019171828 1317086106 /nfs/dbraw/zinc/08/61/06/1317086106.db2.gz RSLTWSNXPQMFLC-AZUAARDMSA-N 2 2 349.478 3.498 20 0 EGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000902446505 1317579876 /nfs/dbraw/zinc/57/98/76/1317579876.db2.gz TWMVYUJRTFDGLI-UQIDSAAFSA-N 2 2 335.451 3.089 20 0 EGADLP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC000902738176 1317610444 /nfs/dbraw/zinc/61/04/44/1317610444.db2.gz CKKLQMZMKBOSKT-KBXCAEBGSA-N 2 2 333.439 3.179 20 0 EGADLP C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902815090 1317619227 /nfs/dbraw/zinc/61/92/27/1317619227.db2.gz SOEMRTBRJBMPAV-KSSFIOAISA-N 2 2 327.453 3.492 20 0 EGADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165607 1317635772 /nfs/dbraw/zinc/63/57/72/1317635772.db2.gz RFPBDCQMGDEZDX-IBGZPJMESA-N 2 2 343.515 3.189 20 0 EGADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165607 1317635775 /nfs/dbraw/zinc/63/57/75/1317635775.db2.gz RFPBDCQMGDEZDX-IBGZPJMESA-N 2 2 343.515 3.189 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165607 1317635781 /nfs/dbraw/zinc/63/57/81/1317635781.db2.gz RFPBDCQMGDEZDX-IBGZPJMESA-N 2 2 343.515 3.189 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1C(=O)CCC1(C)C ZINC000808165607 1317635785 /nfs/dbraw/zinc/63/57/85/1317635785.db2.gz RFPBDCQMGDEZDX-IBGZPJMESA-N 2 2 343.515 3.189 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001020388826 1317675118 /nfs/dbraw/zinc/67/51/18/1317675118.db2.gz OPXDRGVBGWCRPR-BRWVUGGUSA-N 2 2 348.450 3.254 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)CCC1 ZINC000903815889 1317737397 /nfs/dbraw/zinc/73/73/97/1317737397.db2.gz UFZPYXOPDAZKHS-INIZCTEOSA-N 2 2 335.879 3.262 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)CCC1 ZINC000903815889 1317737406 /nfs/dbraw/zinc/73/74/06/1317737406.db2.gz UFZPYXOPDAZKHS-INIZCTEOSA-N 2 2 335.879 3.262 20 0 EGADLP CC(C)CC[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858241748 1328720261 /nfs/dbraw/zinc/72/02/61/1328720261.db2.gz ZXTBXAXQPQULRE-GOSISDBHSA-N 2 2 333.520 3.108 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974370 1317759234 /nfs/dbraw/zinc/75/92/34/1317759234.db2.gz UJPYQTRSVDRRAF-MRXNPFEDSA-N 2 2 342.405 3.262 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000810232298 1317983047 /nfs/dbraw/zinc/98/30/47/1317983047.db2.gz XLTSGVBFHXOTIF-UHFFFAOYSA-N 2 2 341.459 3.253 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589950 1318120988 /nfs/dbraw/zinc/12/09/88/1318120988.db2.gz FPFXDKIKKAAYPB-OVQGTLEDSA-N 2 2 345.506 3.172 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589950 1318120995 /nfs/dbraw/zinc/12/09/95/1318120995.db2.gz FPFXDKIKKAAYPB-OVQGTLEDSA-N 2 2 345.506 3.172 20 0 EGADLP CC[NH+](CC)CCOc1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000907084765 1318182887 /nfs/dbraw/zinc/18/28/87/1318182887.db2.gz GSANOWLVUHNTSY-UHFFFAOYSA-N 2 2 344.459 3.023 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000907314881 1318210200 /nfs/dbraw/zinc/21/02/00/1318210200.db2.gz UVBCFVCUOSYCKT-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000907314881 1318210213 /nfs/dbraw/zinc/21/02/13/1318210213.db2.gz UVBCFVCUOSYCKT-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000907314883 1318210632 /nfs/dbraw/zinc/21/06/32/1318210632.db2.gz UVBCFVCUOSYCKT-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000907314883 1318210639 /nfs/dbraw/zinc/21/06/39/1318210639.db2.gz UVBCFVCUOSYCKT-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000959990922 1318302586 /nfs/dbraw/zinc/30/25/86/1318302586.db2.gz PPHGZFMXMSEFJI-ABHNRTSZSA-N 2 2 346.519 3.139 20 0 EGADLP CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000929991371 1328759310 /nfs/dbraw/zinc/75/93/10/1328759310.db2.gz GFNRPDMJGHRHDO-HNNXBMFYSA-N 2 2 335.455 3.404 20 0 EGADLP CN(C)c1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000929991371 1328759313 /nfs/dbraw/zinc/75/93/13/1328759313.db2.gz GFNRPDMJGHRHDO-HNNXBMFYSA-N 2 2 335.455 3.404 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC000960151326 1318384814 /nfs/dbraw/zinc/38/48/14/1318384814.db2.gz ZKYYRHSHNOIKQM-HKUYNNGSSA-N 2 2 344.503 3.305 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960151336 1318385359 /nfs/dbraw/zinc/38/53/59/1318385359.db2.gz ZWAIVEFSEGKDAA-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC000960151327 1318385787 /nfs/dbraw/zinc/38/57/87/1318385787.db2.gz ZKYYRHSHNOIKQM-MJGOQNOKSA-N 2 2 344.503 3.305 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056996 1318876405 /nfs/dbraw/zinc/87/64/05/1318876405.db2.gz KZOAVNAWFPIRKH-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056996 1318876416 /nfs/dbraw/zinc/87/64/16/1318876416.db2.gz KZOAVNAWFPIRKH-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056996 1318876422 /nfs/dbraw/zinc/87/64/22/1318876422.db2.gz KZOAVNAWFPIRKH-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056996 1318876432 /nfs/dbraw/zinc/87/64/32/1318876432.db2.gz KZOAVNAWFPIRKH-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001022285882 1318876875 /nfs/dbraw/zinc/87/68/75/1318876875.db2.gz NDBFOZRHOBJKDJ-CALCHBBNSA-N 2 2 338.455 3.304 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142961 1318909385 /nfs/dbraw/zinc/90/93/85/1318909385.db2.gz ASCAKFRPFZKEQI-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142961 1318909395 /nfs/dbraw/zinc/90/93/95/1318909395.db2.gz ASCAKFRPFZKEQI-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142961 1318909406 /nfs/dbraw/zinc/90/94/06/1318909406.db2.gz ASCAKFRPFZKEQI-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142961 1318909416 /nfs/dbraw/zinc/90/94/16/1318909416.db2.gz ASCAKFRPFZKEQI-IRXDYDNUSA-N 2 2 343.298 3.445 20 0 EGADLP O[C@H](C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000913395947 1319026586 /nfs/dbraw/zinc/02/65/86/1319026586.db2.gz YSOMTALOQQALFG-KRWDZBQOSA-N 2 2 342.405 3.127 20 0 EGADLP O[C@H](C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000913395947 1319026595 /nfs/dbraw/zinc/02/65/95/1319026595.db2.gz YSOMTALOQQALFG-KRWDZBQOSA-N 2 2 342.405 3.127 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000815654479 1319037625 /nfs/dbraw/zinc/03/76/25/1319037625.db2.gz OGQORXOUEGPIPY-JHMKDJTOSA-N 2 2 342.527 3.354 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000815654479 1319037631 /nfs/dbraw/zinc/03/76/31/1319037631.db2.gz OGQORXOUEGPIPY-JHMKDJTOSA-N 2 2 342.527 3.354 20 0 EGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)ncc1F ZINC000817982929 1319485698 /nfs/dbraw/zinc/48/56/98/1319485698.db2.gz WKMQDONOAMGTFB-NOZJJQNGSA-N 2 2 330.245 3.151 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@H]2CCC[NH2+]2)cc1 ZINC000817902395 1319456770 /nfs/dbraw/zinc/45/67/70/1319456770.db2.gz PFYVIMXRXMYBQP-IEBWSBKVSA-N 2 2 345.874 3.369 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371343 1319483985 /nfs/dbraw/zinc/48/39/85/1319483985.db2.gz XWEVBHQJOYYJTM-NVXWUHKLSA-N 2 2 342.487 3.131 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371343 1319483991 /nfs/dbraw/zinc/48/39/91/1319483991.db2.gz XWEVBHQJOYYJTM-NVXWUHKLSA-N 2 2 342.487 3.131 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819078702 1319628640 /nfs/dbraw/zinc/62/86/40/1319628640.db2.gz LAUOGPHDASEUQN-HZPDHXFCSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819183822 1319660904 /nfs/dbraw/zinc/66/09/04/1319660904.db2.gz SYQWUDPAUZZMOE-FOIQADDNSA-N 2 2 343.446 3.069 20 0 EGADLP CCn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000823477564 1320182749 /nfs/dbraw/zinc/18/27/49/1320182749.db2.gz USAXJRAORBROAL-MRXNPFEDSA-N 2 2 333.524 3.083 20 0 EGADLP CCn1nc(C)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000823477564 1320182751 /nfs/dbraw/zinc/18/27/51/1320182751.db2.gz USAXJRAORBROAL-MRXNPFEDSA-N 2 2 333.524 3.083 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517231 1320931790 /nfs/dbraw/zinc/93/17/90/1320931790.db2.gz RDEOZYYZXHKAQI-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517231 1320931795 /nfs/dbraw/zinc/93/17/95/1320931795.db2.gz RDEOZYYZXHKAQI-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057719 1321210930 /nfs/dbraw/zinc/21/09/30/1321210930.db2.gz MJTSOFUXPNYENF-KRWDZBQOSA-N 2 2 346.906 3.433 20 0 EGADLP CO[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)CC(C)C ZINC000841756520 1321307226 /nfs/dbraw/zinc/30/72/26/1321307226.db2.gz WVXLGKAYKBTKOM-FQEVSTJZSA-N 2 2 333.520 3.372 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000842476758 1321394360 /nfs/dbraw/zinc/39/43/60/1321394360.db2.gz VAFVYNMOFZTNOO-KRWDZBQOSA-N 2 2 346.906 3.371 20 0 EGADLP C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846217832 1321776818 /nfs/dbraw/zinc/77/68/18/1321776818.db2.gz DKWKUZCVZOCENU-UHFFFAOYSA-N 2 2 332.451 3.150 20 0 EGADLP C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000846217832 1321776820 /nfs/dbraw/zinc/77/68/20/1321776820.db2.gz DKWKUZCVZOCENU-UHFFFAOYSA-N 2 2 332.451 3.150 20 0 EGADLP [NH2+]=C(NCCCCn1cc[nH+]c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000849070848 1322066757 /nfs/dbraw/zinc/06/67/57/1322066757.db2.gz HZRCAWHBYISXOE-UHFFFAOYSA-N 2 2 341.337 3.198 20 0 EGADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000849079889 1322069739 /nfs/dbraw/zinc/06/97/39/1322069739.db2.gz ITZUCASJUNOPLO-MRXNPFEDSA-N 2 2 336.361 3.343 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556632 1322266673 /nfs/dbraw/zinc/26/66/73/1322266673.db2.gz SGQWFGYEHREEAW-APWZRJJASA-N 2 2 342.487 3.075 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000850556632 1322266677 /nfs/dbraw/zinc/26/66/77/1322266677.db2.gz SGQWFGYEHREEAW-APWZRJJASA-N 2 2 342.487 3.075 20 0 EGADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)Nc1ccccc1Cl ZINC000923510982 1322766504 /nfs/dbraw/zinc/76/65/04/1322766504.db2.gz YWGJKNZTHRSLNH-HNNXBMFYSA-N 2 2 349.906 3.380 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+]CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000924558104 1323055412 /nfs/dbraw/zinc/05/54/12/1323055412.db2.gz AMLZJENHHUAPBA-UHFFFAOYSA-N 2 2 339.430 3.003 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000924653214 1323096197 /nfs/dbraw/zinc/09/61/97/1323096197.db2.gz HTRJOMPGXJHRQB-FQEVSTJZSA-N 2 2 327.472 3.037 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000924653214 1323096206 /nfs/dbraw/zinc/09/62/06/1323096206.db2.gz HTRJOMPGXJHRQB-FQEVSTJZSA-N 2 2 327.472 3.037 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681682 1323111749 /nfs/dbraw/zinc/11/17/49/1323111749.db2.gz ZXSDOSXAYSZUSL-GJYPPUQNSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681682 1323111754 /nfs/dbraw/zinc/11/17/54/1323111754.db2.gz ZXSDOSXAYSZUSL-GJYPPUQNSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnnn1-c1ccccc1 ZINC000924728494 1323135853 /nfs/dbraw/zinc/13/58/53/1323135853.db2.gz GNILVMLVPZNHSZ-YJBOKZPZSA-N 2 2 338.459 3.229 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000852108636 1323149447 /nfs/dbraw/zinc/14/94/47/1323149447.db2.gz JGRVEDHRTCABDL-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000852108636 1323149450 /nfs/dbraw/zinc/14/94/50/1323149450.db2.gz JGRVEDHRTCABDL-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000852108636 1323149455 /nfs/dbraw/zinc/14/94/55/1323149455.db2.gz JGRVEDHRTCABDL-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000852108636 1323149460 /nfs/dbraw/zinc/14/94/60/1323149460.db2.gz JGRVEDHRTCABDL-LJQANCHMSA-N 2 2 347.528 3.378 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000924851868 1323188058 /nfs/dbraw/zinc/18/80/58/1323188058.db2.gz SFCVCOAUAVQXSH-YRNRMSPPSA-N 2 2 349.494 3.101 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cnn(C)n1 ZINC000924859975 1323189848 /nfs/dbraw/zinc/18/98/48/1323189848.db2.gz HSDGRBDDUDKXFM-INIZCTEOSA-N 2 2 327.476 3.042 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001024183405 1323195245 /nfs/dbraw/zinc/19/52/45/1323195245.db2.gz AQIHTPGEPLOKHG-IAGOWNOFSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255624 1324062772 /nfs/dbraw/zinc/06/27/72/1324062772.db2.gz RIFOGMZYXCTPIF-OALUTQOASA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255624 1324062774 /nfs/dbraw/zinc/06/27/74/1324062774.db2.gz RIFOGMZYXCTPIF-OALUTQOASA-N 2 2 346.519 3.165 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001025458266 1324300084 /nfs/dbraw/zinc/30/00/84/1324300084.db2.gz HLPPVSCXVFARKS-GOEBONIOSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001025458266 1324300091 /nfs/dbraw/zinc/30/00/91/1324300091.db2.gz HLPPVSCXVFARKS-GOEBONIOSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCC4CC4)[C@H]3C2)c(C)[nH+]1 ZINC001026318582 1324722808 /nfs/dbraw/zinc/72/28/08/1324722808.db2.gz YNUDYYGWLNXAGD-FHWLQOOXSA-N 2 2 341.499 3.247 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000931752761 1329178020 /nfs/dbraw/zinc/17/80/20/1329178020.db2.gz PEXSRXPAPQIYQW-CABCVRRESA-N 2 2 334.426 3.437 20 0 EGADLP COCCSc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925495538 1325176313 /nfs/dbraw/zinc/17/63/13/1325176313.db2.gz YYGFHNFNYJXVTL-RDJPOBJMSA-N 2 2 332.513 3.072 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000925535276 1325196326 /nfs/dbraw/zinc/19/63/26/1325196326.db2.gz VGPRHSNLOIKDGO-IBGZPJMESA-N 2 2 347.466 3.164 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC(C)C)C1 ZINC000963408544 1325210988 /nfs/dbraw/zinc/21/09/88/1325210988.db2.gz VCFLSSFGZYKWEN-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC000963408544 1325210995 /nfs/dbraw/zinc/21/09/95/1325210995.db2.gz VCFLSSFGZYKWEN-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP CCc1nc2cc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)ccc2n1C1CC1 ZINC000925665161 1325254558 /nfs/dbraw/zinc/25/45/58/1325254558.db2.gz JFKDMOAIPSOBRP-RLIJTASWSA-N 2 2 336.483 3.020 20 0 EGADLP Cc1noc(C)c1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905708 1325352160 /nfs/dbraw/zinc/35/21/60/1325352160.db2.gz IYDSMJSUKWJIJS-CYBMUJFWSA-N 2 2 343.475 3.390 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000926111300 1325432508 /nfs/dbraw/zinc/43/25/08/1325432508.db2.gz BZOWAXHMFNTPDY-JENIJYKNSA-N 2 2 341.503 3.420 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000926111300 1325432514 /nfs/dbraw/zinc/43/25/14/1325432514.db2.gz BZOWAXHMFNTPDY-JENIJYKNSA-N 2 2 341.503 3.420 20 0 EGADLP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926411666 1325544650 /nfs/dbraw/zinc/54/46/50/1325544650.db2.gz SDNSRNPJYPDKFO-HBAMERQHSA-N 2 2 347.547 3.185 20 0 EGADLP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926411666 1325544656 /nfs/dbraw/zinc/54/46/56/1325544656.db2.gz SDNSRNPJYPDKFO-HBAMERQHSA-N 2 2 347.547 3.185 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc21 ZINC000857076161 1325569852 /nfs/dbraw/zinc/56/98/52/1325569852.db2.gz PMQNYTCFALFTOM-IEBWSBKVSA-N 2 2 340.471 3.385 20 0 EGADLP CCON1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000926496589 1325576349 /nfs/dbraw/zinc/57/63/49/1325576349.db2.gz ISNRAHXNPZWSON-UHFFFAOYSA-N 2 2 334.851 3.031 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387715 1325586839 /nfs/dbraw/zinc/58/68/39/1325586839.db2.gz CEJOADZMMSKVPE-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387715 1325586848 /nfs/dbraw/zinc/58/68/48/1325586848.db2.gz CEJOADZMMSKVPE-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447865 1327689580 /nfs/dbraw/zinc/68/95/80/1327689580.db2.gz AQGFFLPZZAUSMU-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447865 1327689586 /nfs/dbraw/zinc/68/95/86/1327689586.db2.gz AQGFFLPZZAUSMU-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447865 1327689597 /nfs/dbraw/zinc/68/95/97/1327689597.db2.gz AQGFFLPZZAUSMU-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447865 1327689604 /nfs/dbraw/zinc/68/96/04/1327689604.db2.gz AQGFFLPZZAUSMU-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CC1(c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)OCCO1 ZINC000926780008 1327712509 /nfs/dbraw/zinc/71/25/09/1327712509.db2.gz XVAGNZUHWKPTQS-MOPGFXCFSA-N 2 2 330.472 3.013 20 0 EGADLP CC1(c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)OCCO1 ZINC000926780008 1327712517 /nfs/dbraw/zinc/71/25/17/1327712517.db2.gz XVAGNZUHWKPTQS-MOPGFXCFSA-N 2 2 330.472 3.013 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596807 1327948493 /nfs/dbraw/zinc/94/84/93/1327948493.db2.gz AWSHUHFHTGMRHD-FUHWJXTLSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596807 1327948499 /nfs/dbraw/zinc/94/84/99/1327948499.db2.gz AWSHUHFHTGMRHD-FUHWJXTLSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597675 1327949616 /nfs/dbraw/zinc/94/96/16/1327949616.db2.gz IVZSVNJRASREFR-PKOBYXMFSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597675 1327949625 /nfs/dbraw/zinc/94/96/25/1327949625.db2.gz IVZSVNJRASREFR-PKOBYXMFSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597672 1327950717 /nfs/dbraw/zinc/95/07/17/1327950717.db2.gz IVZSVNJRASREFR-HKUYNNGSSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597672 1327950725 /nfs/dbraw/zinc/95/07/25/1327950725.db2.gz IVZSVNJRASREFR-HKUYNNGSSA-N 2 2 344.503 3.257 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccsc1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970667 1328444036 /nfs/dbraw/zinc/44/40/36/1328444036.db2.gz OJIYVQZJRAPDMQ-OAHLLOKOSA-N 2 2 340.452 3.019 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccsc1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970667 1328444040 /nfs/dbraw/zinc/44/40/40/1328444040.db2.gz OJIYVQZJRAPDMQ-OAHLLOKOSA-N 2 2 340.452 3.019 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865443557 1329698052 /nfs/dbraw/zinc/69/80/52/1329698052.db2.gz IITYRPBBZRAHOT-UHFFFAOYSA-N 2 2 346.393 3.018 20 0 EGADLP CC(C)(C)[NH2+]CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000935104222 1330028890 /nfs/dbraw/zinc/02/88/90/1330028890.db2.gz YQRKVMDNCNKBNP-UHFFFAOYSA-N 2 2 338.455 3.319 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943874972 1332286685 /nfs/dbraw/zinc/28/66/85/1332286685.db2.gz AAFSVDFPHLGTJM-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943874972 1332286686 /nfs/dbraw/zinc/28/66/86/1332286686.db2.gz AAFSVDFPHLGTJM-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000947540527 1333164321 /nfs/dbraw/zinc/16/43/21/1333164321.db2.gz VAPNQXQYVZSMLJ-WMZOPIPTSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000947540527 1333164325 /nfs/dbraw/zinc/16/43/25/1333164325.db2.gz VAPNQXQYVZSMLJ-WMZOPIPTSA-N 2 2 348.450 3.117 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474217 1333540021 /nfs/dbraw/zinc/54/00/21/1333540021.db2.gz RGKWXPAKBAMTOB-FUHWJXTLSA-N 2 2 348.535 3.286 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474217 1333540022 /nfs/dbraw/zinc/54/00/22/1333540022.db2.gz RGKWXPAKBAMTOB-FUHWJXTLSA-N 2 2 348.535 3.286 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554192 1333573523 /nfs/dbraw/zinc/57/35/23/1333573523.db2.gz RVFRLXSLRXDAIH-QGZVFWFLSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554192 1333573527 /nfs/dbraw/zinc/57/35/27/1333573527.db2.gz RVFRLXSLRXDAIH-QGZVFWFLSA-N 2 2 340.471 3.456 20 0 EGADLP CC1CCC(C[N@@H+]2CCC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000948886404 1333719699 /nfs/dbraw/zinc/71/96/99/1333719699.db2.gz NLBJNIMYZLWZSQ-DAWZGUTISA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+]2CCC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000948886404 1333719702 /nfs/dbraw/zinc/71/97/02/1333719702.db2.gz NLBJNIMYZLWZSQ-DAWZGUTISA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949118034 1333780083 /nfs/dbraw/zinc/78/00/83/1333780083.db2.gz WWJGTFXIBGURTI-QGZVFWFLSA-N 2 2 348.450 3.162 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000950961718 1334161093 /nfs/dbraw/zinc/16/10/93/1334161093.db2.gz GITSBSZTQSWPAT-ROUUACIJSA-N 2 2 340.471 3.048 20 0 EGADLP CCN(C(=O)c1occc1C[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC000951552247 1334264810 /nfs/dbraw/zinc/26/48/10/1334264810.db2.gz QUIGEVYSOQIFOM-UHFFFAOYSA-N 2 2 347.503 3.068 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000952407425 1334451159 /nfs/dbraw/zinc/45/11/59/1334451159.db2.gz UXVWCBASEYDMTK-FQEVSTJZSA-N 2 2 347.547 3.282 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1C[NH+](CC2=CCCCC2)C1 ZINC000952407425 1334451161 /nfs/dbraw/zinc/45/11/61/1334451161.db2.gz UXVWCBASEYDMTK-FQEVSTJZSA-N 2 2 347.547 3.282 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)c1ccccc1 ZINC000970484772 1336311845 /nfs/dbraw/zinc/31/18/45/1336311845.db2.gz OGOOUFDZPRAWKT-IAGOWNOFSA-N 2 2 340.471 3.029 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517327 1337033257 /nfs/dbraw/zinc/03/32/57/1337033257.db2.gz BLUDAQFOFNMWQJ-JKSUJKDBSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517327 1337033259 /nfs/dbraw/zinc/03/32/59/1337033259.db2.gz BLUDAQFOFNMWQJ-JKSUJKDBSA-N 2 2 349.906 3.077 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206640876 1371116112 /nfs/dbraw/zinc/11/61/12/1371116112.db2.gz OMUJKNLBVYMOSR-ZDUSSCGKSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206640876 1371116118 /nfs/dbraw/zinc/11/61/18/1371116118.db2.gz OMUJKNLBVYMOSR-ZDUSSCGKSA-N 2 2 341.293 3.409 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687528 1338690359 /nfs/dbraw/zinc/69/03/59/1338690359.db2.gz JMKBKIPGWUWRBS-RDTXWAMCSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632652 1340735546 /nfs/dbraw/zinc/73/55/46/1340735546.db2.gz OUCOMERIJSVCQP-HOTGVXAUSA-N 2 2 348.450 3.376 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632652 1340735550 /nfs/dbraw/zinc/73/55/50/1340735550.db2.gz OUCOMERIJSVCQP-HOTGVXAUSA-N 2 2 348.450 3.376 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001029168318 1340947395 /nfs/dbraw/zinc/94/73/95/1340947395.db2.gz XHNBDNIJHBLJEH-OAHLLOKOSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(NC1C[NH+](CC2=CCCCC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030831666 1341232815 /nfs/dbraw/zinc/23/28/15/1341232815.db2.gz MMBXRUYBJLQMQD-HXUWFJFHSA-N 2 2 345.531 3.084 20 0 EGADLP O=C(NC1C[NH+](CC2=CCCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001030831666 1341232816 /nfs/dbraw/zinc/23/28/16/1341232816.db2.gz MMBXRUYBJLQMQD-HXUWFJFHSA-N 2 2 345.531 3.084 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031049378 1341270274 /nfs/dbraw/zinc/27/02/74/1341270274.db2.gz CJDLTTXRHJKDIV-PXNSSMCTSA-N 2 2 343.515 3.203 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829788 1341628940 /nfs/dbraw/zinc/62/89/40/1341628940.db2.gz RRGASMMUBOIOSI-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829788 1341628942 /nfs/dbraw/zinc/62/89/42/1341628942.db2.gz RRGASMMUBOIOSI-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829788 1341628944 /nfs/dbraw/zinc/62/89/44/1341628944.db2.gz RRGASMMUBOIOSI-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829788 1341628945 /nfs/dbraw/zinc/62/89/45/1341628945.db2.gz RRGASMMUBOIOSI-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391460 1342460071 /nfs/dbraw/zinc/46/00/71/1342460071.db2.gz MTEMGQNLXRAEBE-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391460 1342460072 /nfs/dbraw/zinc/46/00/72/1342460072.db2.gz MTEMGQNLXRAEBE-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CCC2=CCCCC2)C1 ZINC001034502930 1342560906 /nfs/dbraw/zinc/56/09/06/1342560906.db2.gz KOJROGMIOVFEQH-SFHVURJKSA-N 2 2 344.503 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CCC2=CCCCC2)C1 ZINC001034502930 1342560908 /nfs/dbraw/zinc/56/09/08/1342560908.db2.gz KOJROGMIOVFEQH-SFHVURJKSA-N 2 2 344.503 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034503753 1342561235 /nfs/dbraw/zinc/56/12/35/1342561235.db2.gz REBIJTQTMBCBRD-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034503753 1342561237 /nfs/dbraw/zinc/56/12/37/1342561237.db2.gz REBIJTQTMBCBRD-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034743844 1342732173 /nfs/dbraw/zinc/73/21/73/1342732173.db2.gz COCZCFKMGOTOLQ-BRWVUGGUSA-N 2 2 340.471 3.039 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036749738 1343673277 /nfs/dbraw/zinc/67/32/77/1343673277.db2.gz BEHZIFAKGXLGCZ-KXBFYZLASA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036749738 1343673278 /nfs/dbraw/zinc/67/32/78/1343673278.db2.gz BEHZIFAKGXLGCZ-KXBFYZLASA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869412 1343807062 /nfs/dbraw/zinc/80/70/62/1343807062.db2.gz CWHNFFJXOQIMAV-HOTGVXAUSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869412 1343807065 /nfs/dbraw/zinc/80/70/65/1343807065.db2.gz CWHNFFJXOQIMAV-HOTGVXAUSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001037218354 1344050647 /nfs/dbraw/zinc/05/06/47/1344050647.db2.gz XSPFGKCOWMMSKJ-PKOBYXMFSA-N 2 2 340.471 3.159 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037828426 1344122390 /nfs/dbraw/zinc/12/23/90/1344122390.db2.gz OZNYIWDHSHCESE-QZTJIDSGSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037847540 1344135383 /nfs/dbraw/zinc/13/53/83/1344135383.db2.gz ADMSUAFNDXGDQK-MJGOQNOKSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037847540 1344135385 /nfs/dbraw/zinc/13/53/85/1344135385.db2.gz ADMSUAFNDXGDQK-MJGOQNOKSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037995875 1344226501 /nfs/dbraw/zinc/22/65/01/1344226501.db2.gz HUIJWMDORKOUNT-RBUKOAKNSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037996931 1344226854 /nfs/dbraw/zinc/22/68/54/1344226854.db2.gz NSBWIRNCVHJVLE-RTBURBONSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418698 1344420399 /nfs/dbraw/zinc/42/03/99/1344420399.db2.gz YTPUNFPYULHUGC-NVXWUHKLSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418698 1344420400 /nfs/dbraw/zinc/42/04/00/1344420400.db2.gz YTPUNFPYULHUGC-NVXWUHKLSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001039249466 1344979273 /nfs/dbraw/zinc/97/92/73/1344979273.db2.gz IWOMLKMEPLBHKV-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001039249466 1344979275 /nfs/dbraw/zinc/97/92/75/1344979275.db2.gz IWOMLKMEPLBHKV-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001043198656 1346152545 /nfs/dbraw/zinc/15/25/45/1346152545.db2.gz XKZJRQPVRYMPDU-PXNSSMCTSA-N 2 2 343.515 3.011 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001043198656 1346152546 /nfs/dbraw/zinc/15/25/46/1346152546.db2.gz XKZJRQPVRYMPDU-PXNSSMCTSA-N 2 2 343.515 3.011 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646892 1346392143 /nfs/dbraw/zinc/39/21/43/1346392143.db2.gz FVJKBPIGFFKFPP-RHSMWYFYSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876717 1346452772 /nfs/dbraw/zinc/45/27/72/1346452772.db2.gz BTMFPKOAMLZZKF-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045118476 1346498163 /nfs/dbraw/zinc/49/81/63/1346498163.db2.gz NWSJAISTEDELOY-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943050 1346778208 /nfs/dbraw/zinc/77/82/08/1346778208.db2.gz AFZSATAIPNDPDW-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943050 1346778210 /nfs/dbraw/zinc/77/82/10/1346778210.db2.gz AFZSATAIPNDPDW-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943050 1346778212 /nfs/dbraw/zinc/77/82/12/1346778212.db2.gz AFZSATAIPNDPDW-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943050 1346778216 /nfs/dbraw/zinc/77/82/16/1346778216.db2.gz AFZSATAIPNDPDW-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045986805 1346828658 /nfs/dbraw/zinc/82/86/58/1346828658.db2.gz AVISAKMQNHCKBP-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045986805 1346828660 /nfs/dbraw/zinc/82/86/60/1346828660.db2.gz AVISAKMQNHCKBP-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001047244163 1347269921 /nfs/dbraw/zinc/26/99/21/1347269921.db2.gz QKBHUXKDJMATEL-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001047244163 1347269923 /nfs/dbraw/zinc/26/99/23/1347269923.db2.gz QKBHUXKDJMATEL-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC001183034990 1387255248 /nfs/dbraw/zinc/25/52/48/1387255248.db2.gz AUCLDXNZBJHTBP-LJQANCHMSA-N 3 2 326.488 3.025 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049757707 1348004369 /nfs/dbraw/zinc/00/43/69/1348004369.db2.gz BMQNSTKSKSUALE-QXAKKESOSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049757707 1348004371 /nfs/dbraw/zinc/00/43/71/1348004371.db2.gz BMQNSTKSKSUALE-QXAKKESOSA-N 2 2 346.519 3.336 20 0 EGADLP CC(C)[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001050351217 1348234315 /nfs/dbraw/zinc/23/43/15/1348234315.db2.gz YKNWBNJFUJTUIV-SAABIXHNSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@H+](CC4CCC4)CC3)ccn12 ZINC001052378528 1348535812 /nfs/dbraw/zinc/53/58/12/1348535812.db2.gz IUOMNIICQCRHSL-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@@H+](CC4CCC4)CC3)ccn12 ZINC001052378528 1348535815 /nfs/dbraw/zinc/53/58/15/1348535815.db2.gz IUOMNIICQCRHSL-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205165 1349207135 /nfs/dbraw/zinc/20/71/35/1349207135.db2.gz LVYSJWLPTUIVGJ-QUCCMNQESA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001054205165 1349207137 /nfs/dbraw/zinc/20/71/37/1349207137.db2.gz LVYSJWLPTUIVGJ-QUCCMNQESA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cccc(C[NH2+][C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C)c1 ZINC001054797416 1349464702 /nfs/dbraw/zinc/46/47/02/1349464702.db2.gz GNMVYZHJFASBLZ-MGPUTAFESA-N 2 2 348.450 3.122 20 0 EGADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071512002 1354736780 /nfs/dbraw/zinc/73/67/80/1354736780.db2.gz SPOUXBNIBOBPMS-YJBOKZPZSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001071512002 1354736784 /nfs/dbraw/zinc/73/67/84/1354736784.db2.gz SPOUXBNIBOBPMS-YJBOKZPZSA-N 2 2 340.471 3.192 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001071608297 1354793024 /nfs/dbraw/zinc/79/30/24/1354793024.db2.gz VYCARYPPQRZRRG-IRXDYDNUSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001071608297 1354793027 /nfs/dbraw/zinc/79/30/27/1354793027.db2.gz VYCARYPPQRZRRG-IRXDYDNUSA-N 2 2 348.535 3.332 20 0 EGADLP CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711909 1354869965 /nfs/dbraw/zinc/86/99/65/1354869965.db2.gz GIWBDNXEBHOENR-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711909 1354869971 /nfs/dbraw/zinc/86/99/71/1354869971.db2.gz GIWBDNXEBHOENR-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CCCCCC2)C1 ZINC001072028599 1355089500 /nfs/dbraw/zinc/08/95/00/1355089500.db2.gz APHJLLMFPPIQBM-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCCCC2)C1 ZINC001072028599 1355089502 /nfs/dbraw/zinc/08/95/02/1355089502.db2.gz APHJLLMFPPIQBM-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457296 1356389567 /nfs/dbraw/zinc/38/95/67/1356389567.db2.gz OYWZTCQEFXWIHG-GOSISDBHSA-N 2 2 346.519 3.024 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457296 1356389571 /nfs/dbraw/zinc/38/95/71/1356389571.db2.gz OYWZTCQEFXWIHG-GOSISDBHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001183496225 1387313491 /nfs/dbraw/zinc/31/34/91/1387313491.db2.gz LCVMQTJWKBDAQG-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)c1cccc2[nH+]ccn21 ZINC001086756884 1359196087 /nfs/dbraw/zinc/19/60/87/1359196087.db2.gz XXIIRSXUZMGRJW-DLBZAZTESA-N 2 2 340.471 3.013 20 0 EGADLP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001086930016 1359254666 /nfs/dbraw/zinc/25/46/66/1359254666.db2.gz WSDWCNRWHVKKOO-HNNXBMFYSA-N 2 2 340.471 3.290 20 0 EGADLP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001086932335 1359256142 /nfs/dbraw/zinc/25/61/42/1359256142.db2.gz HXHFPXIMWOIFAQ-MRXNPFEDSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088354595 1359838287 /nfs/dbraw/zinc/83/82/87/1359838287.db2.gz BBMYQUGJTBSOTH-GOSISDBHSA-N 2 2 340.471 3.255 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001089203883 1360249920 /nfs/dbraw/zinc/24/99/20/1360249920.db2.gz HDDQYXOBWPVDGY-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001089203883 1360249924 /nfs/dbraw/zinc/24/99/24/1360249924.db2.gz HDDQYXOBWPVDGY-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC(C)(C)C1 ZINC001089533466 1360493838 /nfs/dbraw/zinc/49/38/38/1360493838.db2.gz FWAVWVDXXXGCRE-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC(C)(C)C1 ZINC001089533466 1360493840 /nfs/dbraw/zinc/49/38/40/1360493840.db2.gz FWAVWVDXXXGCRE-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693461 1360599267 /nfs/dbraw/zinc/59/92/67/1360599267.db2.gz KVABXECBIVMCSD-HZPDHXFCSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693461 1360599270 /nfs/dbraw/zinc/59/92/70/1360599270.db2.gz KVABXECBIVMCSD-HZPDHXFCSA-N 2 2 346.519 3.092 20 0 EGADLP O=C(NCC1CC([NH2+]CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001091098250 1360991694 /nfs/dbraw/zinc/99/16/94/1360991694.db2.gz IEWNONQDQPKLBY-UHFFFAOYSA-N 2 2 338.455 3.161 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184797758 1387542182 /nfs/dbraw/zinc/54/21/82/1387542182.db2.gz FMERUKDJCZGVRB-SJORKVTESA-N 2 2 342.487 3.212 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CC(C)C)[C@@H](C)C2)c(C)[nH+]1 ZINC001184853322 1387549775 /nfs/dbraw/zinc/54/97/75/1387549775.db2.gz ZWVRDLBJVMOJGU-MAUKXSAKSA-N 2 2 331.504 3.351 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148345 1363655032 /nfs/dbraw/zinc/65/50/32/1363655032.db2.gz CBOCBPYSBLGIDS-DLBZAZTESA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148345 1363655036 /nfs/dbraw/zinc/65/50/36/1363655036.db2.gz CBOCBPYSBLGIDS-DLBZAZTESA-N 2 2 348.535 3.006 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663467 1364209303 /nfs/dbraw/zinc/20/93/03/1364209303.db2.gz UEBYULLFGSOXFO-FHWRBSHZSA-N 2 2 344.503 3.060 20 0 EGADLP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001101555750 1364617135 /nfs/dbraw/zinc/61/71/35/1364617135.db2.gz GOCABUFPRDOTMH-UHFFFAOYSA-N 2 2 342.487 3.211 20 0 EGADLP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579494 1364632187 /nfs/dbraw/zinc/63/21/87/1364632187.db2.gz JCAHVZOYRPNSQT-WAYWQWQTSA-N 2 2 346.519 3.163 20 0 EGADLP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001102986224 1365327844 /nfs/dbraw/zinc/32/78/44/1365327844.db2.gz PFYXBSBIIYBNGD-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001102986224 1365327846 /nfs/dbraw/zinc/32/78/46/1365327846.db2.gz PFYXBSBIIYBNGD-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cs1 ZINC001324689635 1387738369 /nfs/dbraw/zinc/73/83/69/1387738369.db2.gz CTVIFIXVPKTLGO-HNNXBMFYSA-N 2 2 344.528 3.050 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517316 1365608593 /nfs/dbraw/zinc/60/85/93/1365608593.db2.gz ISJBKNZCCPVJQW-FZGCCYDFSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517316 1365608595 /nfs/dbraw/zinc/60/85/95/1365608595.db2.gz ISJBKNZCCPVJQW-FZGCCYDFSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517316 1365608597 /nfs/dbraw/zinc/60/85/97/1365608597.db2.gz ISJBKNZCCPVJQW-FZGCCYDFSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517316 1365608599 /nfs/dbraw/zinc/60/85/99/1365608599.db2.gz ISJBKNZCCPVJQW-FZGCCYDFSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274437 1365974441 /nfs/dbraw/zinc/97/44/41/1365974441.db2.gz PKGZJJXCHIKFFV-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274437 1365974444 /nfs/dbraw/zinc/97/44/44/1365974444.db2.gz PKGZJJXCHIKFFV-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104315533 1365979312 /nfs/dbraw/zinc/97/93/12/1365979312.db2.gz SZFJWWCVNVLHSI-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104315533 1365979314 /nfs/dbraw/zinc/97/93/14/1365979314.db2.gz SZFJWWCVNVLHSI-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001185787890 1387799171 /nfs/dbraw/zinc/79/91/71/1387799171.db2.gz JGIXFDYBFLWNEP-ZWKOTPCHSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001109772098 1367313533 /nfs/dbraw/zinc/31/35/33/1367313533.db2.gz FSROJJQXUFCTNJ-NQYYFHDYSA-N 2 2 342.487 3.056 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001109772098 1367313539 /nfs/dbraw/zinc/31/35/39/1367313539.db2.gz FSROJJQXUFCTNJ-NQYYFHDYSA-N 2 2 342.487 3.056 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001109772080 1367314241 /nfs/dbraw/zinc/31/42/41/1367314241.db2.gz FJCANIMZWDXZQJ-BDXSIMOUSA-N 2 2 346.519 3.382 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001109772080 1367314248 /nfs/dbraw/zinc/31/42/48/1367314248.db2.gz FJCANIMZWDXZQJ-BDXSIMOUSA-N 2 2 346.519 3.382 20 0 EGADLP CCOC(=O)C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC001190690291 1367327735 /nfs/dbraw/zinc/32/77/35/1367327735.db2.gz CTNARAZSPSBOFA-UHFFFAOYSA-N 2 2 332.488 3.446 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C(C)C ZINC001190690291 1367327741 /nfs/dbraw/zinc/32/77/41/1367327741.db2.gz CTNARAZSPSBOFA-UHFFFAOYSA-N 2 2 332.488 3.446 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899419 1367378654 /nfs/dbraw/zinc/37/86/54/1367378654.db2.gz JUMVLOGEBATIFD-AEFFLSMTSA-N 2 2 348.535 3.142 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899419 1367378662 /nfs/dbraw/zinc/37/86/62/1367378662.db2.gz JUMVLOGEBATIFD-AEFFLSMTSA-N 2 2 348.535 3.142 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778447 1367872566 /nfs/dbraw/zinc/87/25/66/1367872566.db2.gz NANSZEQONYUMCE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778447 1367872570 /nfs/dbraw/zinc/87/25/70/1367872570.db2.gz NANSZEQONYUMCE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778447 1367872574 /nfs/dbraw/zinc/87/25/74/1367872574.db2.gz NANSZEQONYUMCE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778447 1367872576 /nfs/dbraw/zinc/87/25/76/1367872576.db2.gz NANSZEQONYUMCE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001195910282 1368515885 /nfs/dbraw/zinc/51/58/85/1368515885.db2.gz DEROSUQSNTYDDU-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001195910282 1368515892 /nfs/dbraw/zinc/51/58/92/1368515892.db2.gz DEROSUQSNTYDDU-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287528 1368584811 /nfs/dbraw/zinc/58/48/11/1368584811.db2.gz DSDLPZJFMSYDPT-ONEGZZNKSA-N 2 2 326.444 3.067 20 0 EGADLP CC/C=C/CC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287528 1368584816 /nfs/dbraw/zinc/58/48/16/1368584816.db2.gz DSDLPZJFMSYDPT-ONEGZZNKSA-N 2 2 326.444 3.067 20 0 EGADLP CC(C)N(CC1CC1)C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198018570 1368944161 /nfs/dbraw/zinc/94/41/61/1368944161.db2.gz IQQCNOFSNQSEAE-UHFFFAOYSA-N 2 2 345.531 3.331 20 0 EGADLP CC(C)N(CC1CC1)C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198018570 1368944167 /nfs/dbraw/zinc/94/41/67/1368944167.db2.gz IQQCNOFSNQSEAE-UHFFFAOYSA-N 2 2 345.531 3.331 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2F)cc1 ZINC001198031607 1368947124 /nfs/dbraw/zinc/94/71/24/1368947124.db2.gz WZZFJBUMOKUXOG-RTBURBONSA-N 2 2 349.494 3.081 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2F)cc1 ZINC001198031607 1368947130 /nfs/dbraw/zinc/94/71/30/1368947130.db2.gz WZZFJBUMOKUXOG-RTBURBONSA-N 2 2 349.494 3.081 20 0 EGADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)cc1 ZINC001113340843 1369359246 /nfs/dbraw/zinc/35/92/46/1369359246.db2.gz BSEBIIFTQHAGMI-FQEVSTJZSA-N 2 2 345.531 3.014 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186748627 1388003822 /nfs/dbraw/zinc/00/38/22/1388003822.db2.gz XJAUSLTZVDGMNT-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113522772 1369476270 /nfs/dbraw/zinc/47/62/70/1369476270.db2.gz LECMQGQYOIMEIO-OAQYLSRUSA-N 2 2 345.531 3.188 20 0 EGADLP CCCCC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001201864925 1369636754 /nfs/dbraw/zinc/63/67/54/1369636754.db2.gz ZTDFBUULEQIEHR-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013271 1369954091 /nfs/dbraw/zinc/95/40/91/1369954091.db2.gz IQDDJEGMDSQBQO-UBZMYNMCSA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013271 1369954092 /nfs/dbraw/zinc/95/40/92/1369954092.db2.gz IQDDJEGMDSQBQO-UBZMYNMCSA-N 2 2 344.503 3.106 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(CO)cc2)CC1 ZINC001203195662 1370020823 /nfs/dbraw/zinc/02/08/23/1370020823.db2.gz JFGLEMCLTBYGPR-UHFFFAOYSA-N 2 2 342.458 3.414 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(CO)cc2)CC1 ZINC001203195662 1370020828 /nfs/dbraw/zinc/02/08/28/1370020828.db2.gz JFGLEMCLTBYGPR-UHFFFAOYSA-N 2 2 342.458 3.414 20 0 EGADLP CCc1[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c(C)[nH+]1 ZINC001203241454 1370036277 /nfs/dbraw/zinc/03/62/77/1370036277.db2.gz UAFYWHOKJIAXRD-UHFFFAOYSA-N 3 2 342.487 3.362 20 0 EGADLP CCc1[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(C)[nH+]1 ZINC001203241454 1370036282 /nfs/dbraw/zinc/03/62/82/1370036282.db2.gz UAFYWHOKJIAXRD-UHFFFAOYSA-N 3 2 342.487 3.362 20 0 EGADLP CCc1[nH]c(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203246135 1370037927 /nfs/dbraw/zinc/03/79/27/1370037927.db2.gz CEXXABPSNVWWPW-SFHVURJKSA-N 2 2 326.488 3.234 20 0 EGADLP CCc1[nH]c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203246135 1370037930 /nfs/dbraw/zinc/03/79/30/1370037930.db2.gz CEXXABPSNVWWPW-SFHVURJKSA-N 2 2 326.488 3.234 20 0 EGADLP CCc1[nH]c(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203251922 1370041513 /nfs/dbraw/zinc/04/15/13/1370041513.db2.gz RJXKAZZVVKEBLN-GOSISDBHSA-N 2 2 326.488 3.377 20 0 EGADLP CCc1[nH]c(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203251922 1370041516 /nfs/dbraw/zinc/04/15/16/1370041516.db2.gz RJXKAZZVVKEBLN-GOSISDBHSA-N 2 2 326.488 3.377 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815860 1370275059 /nfs/dbraw/zinc/27/50/59/1370275059.db2.gz RLMKEYTVJGOWEQ-MSOLQXFVSA-N 2 2 346.519 3.117 20 0 EGADLP Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001203891616 1370301497 /nfs/dbraw/zinc/30/14/97/1370301497.db2.gz WLLFEZFGGQIOSO-UHFFFAOYSA-N 2 2 340.467 3.455 20 0 EGADLP Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001203891616 1370301500 /nfs/dbraw/zinc/30/15/00/1370301500.db2.gz WLLFEZFGGQIOSO-UHFFFAOYSA-N 2 2 340.467 3.455 20 0 EGADLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(OC)c1O ZINC001204127580 1370384173 /nfs/dbraw/zinc/38/41/73/1370384173.db2.gz WCPRQVXZEYIGKV-UHFFFAOYSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc(OC)c1O ZINC001204127580 1370384182 /nfs/dbraw/zinc/38/41/82/1370384182.db2.gz WCPRQVXZEYIGKV-UHFFFAOYSA-N 2 2 348.487 3.248 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001204172372 1370398802 /nfs/dbraw/zinc/39/88/02/1370398802.db2.gz WSZOGSICVHYANL-UHFFFAOYSA-N 2 2 340.467 3.455 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001204172372 1370398806 /nfs/dbraw/zinc/39/88/06/1370398806.db2.gz WSZOGSICVHYANL-UHFFFAOYSA-N 2 2 340.467 3.455 20 0 EGADLP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001204177826 1370400575 /nfs/dbraw/zinc/40/05/75/1370400575.db2.gz CDUZKWRUPRMGQO-LJQANCHMSA-N 2 2 344.499 3.098 20 0 EGADLP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001204177826 1370400576 /nfs/dbraw/zinc/40/05/76/1370400576.db2.gz CDUZKWRUPRMGQO-LJQANCHMSA-N 2 2 344.499 3.098 20 0 EGADLP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)co1 ZINC001204241684 1370419893 /nfs/dbraw/zinc/41/98/93/1370419893.db2.gz LCTUUBQNFTYMRH-RTWAWAEBSA-N 2 2 344.499 3.240 20 0 EGADLP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)co1 ZINC001204241684 1370419896 /nfs/dbraw/zinc/41/98/96/1370419896.db2.gz LCTUUBQNFTYMRH-RTWAWAEBSA-N 2 2 344.499 3.240 20 0 EGADLP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)co1 ZINC001204241684 1370419897 /nfs/dbraw/zinc/41/98/97/1370419897.db2.gz LCTUUBQNFTYMRH-RTWAWAEBSA-N 2 2 344.499 3.240 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)co1 ZINC001204241684 1370419899 /nfs/dbraw/zinc/41/98/99/1370419899.db2.gz LCTUUBQNFTYMRH-RTWAWAEBSA-N 2 2 344.499 3.240 20 0 EGADLP Cc1[nH+]c[nH]c1CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001204594625 1370526438 /nfs/dbraw/zinc/52/64/38/1370526438.db2.gz MXSLSMKIWPHEEH-UHFFFAOYSA-N 2 2 332.879 3.468 20 0 EGADLP Cc1[nH+]c[nH]c1CN1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001204594625 1370526443 /nfs/dbraw/zinc/52/64/43/1370526443.db2.gz MXSLSMKIWPHEEH-UHFFFAOYSA-N 2 2 332.879 3.468 20 0 EGADLP Cc1cccc2[nH+]cc(Nc3ccc(CN4CC[NH+](C)CC4)cc3)n21 ZINC001204740836 1370561057 /nfs/dbraw/zinc/56/10/57/1370561057.db2.gz OUTQGUCXSKPENB-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP Cc1cccc2[nH+]cc(Nc3ccc(C[NH+]4CCN(C)CC4)cc3)n21 ZINC001204740836 1370561062 /nfs/dbraw/zinc/56/10/62/1370561062.db2.gz OUTQGUCXSKPENB-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001204969186 1370617212 /nfs/dbraw/zinc/61/72/12/1370617212.db2.gz URAGNYCAFYWZJH-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001204969186 1370617215 /nfs/dbraw/zinc/61/72/15/1370617215.db2.gz URAGNYCAFYWZJH-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2OC)C1 ZINC001205009282 1370627316 /nfs/dbraw/zinc/62/73/16/1370627316.db2.gz MFPSVPOFRSYXTG-GFCCVEGCSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2OC)C1 ZINC001205009282 1370627319 /nfs/dbraw/zinc/62/73/19/1370627319.db2.gz MFPSVPOFRSYXTG-GFCCVEGCSA-N 2 2 332.366 3.025 20 0 EGADLP [NH3+][C@@H]1CCC[N@H+](Cc2c[nH]c3cc(F)c(Br)cc23)CC1 ZINC001205124216 1370657499 /nfs/dbraw/zinc/65/74/99/1370657499.db2.gz LQISEKZGWNARRL-LLVKDONJSA-N 2 2 340.240 3.383 20 0 EGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(F)c(Br)cc23)CC1 ZINC001205124216 1370657501 /nfs/dbraw/zinc/65/75/01/1370657501.db2.gz LQISEKZGWNARRL-LLVKDONJSA-N 2 2 340.240 3.383 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001205263424 1370699636 /nfs/dbraw/zinc/69/96/36/1370699636.db2.gz NVAWIPTXJCXNKX-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001205263424 1370699640 /nfs/dbraw/zinc/69/96/40/1370699640.db2.gz NVAWIPTXJCXNKX-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2c(cccc2C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001205263424 1370699642 /nfs/dbraw/zinc/69/96/42/1370699642.db2.gz NVAWIPTXJCXNKX-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2c(cccc2C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001205263424 1370699647 /nfs/dbraw/zinc/69/96/47/1370699647.db2.gz NVAWIPTXJCXNKX-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725068 1370705257 /nfs/dbraw/zinc/70/52/57/1370705257.db2.gz ISISXLJAMNKFFA-HOTGVXAUSA-N 2 2 346.519 3.284 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303989 1370714188 /nfs/dbraw/zinc/71/41/88/1370714188.db2.gz MHOHSBUCOXFZKO-OLZOCXBDSA-N 2 2 338.546 3.313 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303989 1370714192 /nfs/dbraw/zinc/71/41/92/1370714192.db2.gz MHOHSBUCOXFZKO-OLZOCXBDSA-N 2 2 338.546 3.313 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205314875 1370719068 /nfs/dbraw/zinc/71/90/68/1370719068.db2.gz DFQDZVBCUJRJJM-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205314875 1370719070 /nfs/dbraw/zinc/71/90/70/1370719070.db2.gz DFQDZVBCUJRJJM-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521917 1370780022 /nfs/dbraw/zinc/78/00/22/1370780022.db2.gz JHXLCMZWMCAVJI-CQSZACIVSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828490 1370885291 /nfs/dbraw/zinc/88/52/91/1370885291.db2.gz LOJJXKWZPCTSDI-WCQYABFASA-N 2 2 334.357 3.483 20 0 EGADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828490 1370885295 /nfs/dbraw/zinc/88/52/95/1370885295.db2.gz LOJJXKWZPCTSDI-WCQYABFASA-N 2 2 334.357 3.483 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)CC(C)C)[nH+]1 ZINC001116350754 1370892046 /nfs/dbraw/zinc/89/20/46/1370892046.db2.gz MLCWLQYGJJDTRG-ROUUACIJSA-N 2 2 346.519 3.159 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)CC(C)C)[nH+]1 ZINC001116350754 1370892050 /nfs/dbraw/zinc/89/20/50/1370892050.db2.gz MLCWLQYGJJDTRG-ROUUACIJSA-N 2 2 346.519 3.159 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205854383 1370892734 /nfs/dbraw/zinc/89/27/34/1370892734.db2.gz KJAZBJURMHJDCM-MAUKXSAKSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205854383 1370892742 /nfs/dbraw/zinc/89/27/42/1370892742.db2.gz KJAZBJURMHJDCM-MAUKXSAKSA-N 2 2 325.456 3.316 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856266 1370893491 /nfs/dbraw/zinc/89/34/91/1370893491.db2.gz UGUFLDGFIVRDHV-YOEHRIQHSA-N 2 2 329.488 3.472 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856266 1370893494 /nfs/dbraw/zinc/89/34/94/1370893494.db2.gz UGUFLDGFIVRDHV-YOEHRIQHSA-N 2 2 329.488 3.472 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1O ZINC001205915273 1370909502 /nfs/dbraw/zinc/90/95/02/1370909502.db2.gz PASQZNDSGUXXFF-NWDGAFQWSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1O ZINC001205915273 1370909504 /nfs/dbraw/zinc/90/95/04/1370909504.db2.gz PASQZNDSGUXXFF-NWDGAFQWSA-N 2 2 327.266 3.022 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001116583665 1370941057 /nfs/dbraw/zinc/94/10/57/1370941057.db2.gz NJUAQBJWMXHHRH-GOSISDBHSA-N 2 2 338.499 3.475 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001116583665 1370941062 /nfs/dbraw/zinc/94/10/62/1370941062.db2.gz NJUAQBJWMXHHRH-GOSISDBHSA-N 2 2 338.499 3.475 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206210012 1370992824 /nfs/dbraw/zinc/99/28/24/1370992824.db2.gz JFLNLZHQUHXSQI-UONOGXRCSA-N 2 2 333.220 3.158 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206210012 1370992828 /nfs/dbraw/zinc/99/28/28/1370992828.db2.gz JFLNLZHQUHXSQI-UONOGXRCSA-N 2 2 333.220 3.158 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001206427568 1371051692 /nfs/dbraw/zinc/05/16/92/1371051692.db2.gz IYMKGIDROCENAZ-KRWDZBQOSA-N 2 2 348.535 3.489 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)no2)cc1 ZINC001206550139 1371091731 /nfs/dbraw/zinc/09/17/31/1371091731.db2.gz WGHBQLTZSGQMTQ-IBGZPJMESA-N 2 2 329.444 3.301 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)no2)cc1 ZINC001206550139 1371091736 /nfs/dbraw/zinc/09/17/36/1371091736.db2.gz WGHBQLTZSGQMTQ-IBGZPJMESA-N 2 2 329.444 3.301 20 0 EGADLP CC(C)Oc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)cn1 ZINC001206630137 1371113423 /nfs/dbraw/zinc/11/34/23/1371113423.db2.gz MJHKSJCXVLCSSX-UHFFFAOYSA-N 2 2 326.375 3.009 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1F ZINC001206770941 1371159412 /nfs/dbraw/zinc/15/94/12/1371159412.db2.gz VCVLCHJAMOEVTD-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1F ZINC001206770941 1371159416 /nfs/dbraw/zinc/15/94/16/1371159416.db2.gz VCVLCHJAMOEVTD-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1F ZINC001206770939 1371159389 /nfs/dbraw/zinc/15/93/89/1371159389.db2.gz VCVLCHJAMOEVTD-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1F ZINC001206770939 1371159391 /nfs/dbraw/zinc/15/93/91/1371159391.db2.gz VCVLCHJAMOEVTD-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccncc3F)CC2)c2ccccc2[nH+]1 ZINC001206783365 1371164600 /nfs/dbraw/zinc/16/46/00/1371164600.db2.gz FLKQBRKOFMIOQT-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872724 1371198872 /nfs/dbraw/zinc/19/88/72/1371198872.db2.gz RBUZFEKKWZJTMQ-UHFFFAOYSA-N 2 2 334.508 3.096 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3Cc2[nH+]cc3ccccn32)o1 ZINC001207050129 1371277191 /nfs/dbraw/zinc/27/71/91/1371277191.db2.gz JSVVPHINRGUNGN-RBUKOAKNSA-N 2 2 336.439 3.085 20 0 EGADLP CC[N@H+](CCc1c(Cl)nc(C)nc1Cl)C1CC[NH+](C)CC1 ZINC001207339193 1371365572 /nfs/dbraw/zinc/36/55/72/1371365572.db2.gz YRCPDFWWRHMHFQ-UHFFFAOYSA-N 2 2 331.291 3.050 20 0 EGADLP CC[N@@H+](CCc1c(Cl)nc(C)nc1Cl)C1CC[NH+](C)CC1 ZINC001207339193 1371365576 /nfs/dbraw/zinc/36/55/76/1371365576.db2.gz YRCPDFWWRHMHFQ-UHFFFAOYSA-N 2 2 331.291 3.050 20 0 EGADLP Cc1[nH]c(C2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC2)[nH+]c1C ZINC001119587390 1371369551 /nfs/dbraw/zinc/36/95/51/1371369551.db2.gz CKTHCTMAENQZCA-UHFFFAOYSA-N 2 2 337.427 3.002 20 0 EGADLP Brc1ccc(CC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001207378737 1371379699 /nfs/dbraw/zinc/37/96/99/1371379699.db2.gz ALSCIMPTMVHAGW-UHFFFAOYSA-N 2 2 349.316 3.409 20 0 EGADLP Brc1ccc(CC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001207378737 1371379701 /nfs/dbraw/zinc/37/97/01/1371379701.db2.gz ALSCIMPTMVHAGW-UHFFFAOYSA-N 2 2 349.316 3.409 20 0 EGADLP C[NH+]1CCC(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001207399839 1371385384 /nfs/dbraw/zinc/38/53/84/1371385384.db2.gz VYVLJAYLFNPEJV-DXBBTUNJSA-N 3 2 343.559 3.223 20 0 EGADLP C[NH+]1CCC(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001207399839 1371385387 /nfs/dbraw/zinc/38/53/87/1371385387.db2.gz VYVLJAYLFNPEJV-DXBBTUNJSA-N 3 2 343.559 3.223 20 0 EGADLP C[NH+]1CCC(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001207399839 1371385388 /nfs/dbraw/zinc/38/53/88/1371385388.db2.gz VYVLJAYLFNPEJV-DXBBTUNJSA-N 3 2 343.559 3.223 20 0 EGADLP C[NH+]1CCC(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001207399839 1371385395 /nfs/dbraw/zinc/38/53/95/1371385395.db2.gz VYVLJAYLFNPEJV-DXBBTUNJSA-N 3 2 343.559 3.223 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001207621749 1371454571 /nfs/dbraw/zinc/45/45/71/1371454571.db2.gz JCKKYRRRBIMFEC-UUXHPUJUSA-N 2 2 349.950 3.275 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001207621749 1371454574 /nfs/dbraw/zinc/45/45/74/1371454574.db2.gz JCKKYRRRBIMFEC-UUXHPUJUSA-N 2 2 349.950 3.275 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCCCC1 ZINC001120068387 1371476860 /nfs/dbraw/zinc/47/68/60/1371476860.db2.gz HGUWXWCYSPWTDI-UHFFFAOYSA-N 2 2 348.535 3.496 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001207703348 1371478671 /nfs/dbraw/zinc/47/86/71/1371478671.db2.gz YYVQSVCPERSTTD-RDTXWAMCSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001207703348 1371478673 /nfs/dbraw/zinc/47/86/73/1371478673.db2.gz YYVQSVCPERSTTD-RDTXWAMCSA-N 2 2 342.487 3.439 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001120084153 1371481432 /nfs/dbraw/zinc/48/14/32/1371481432.db2.gz DAUSAOYAVRDKKE-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC001120239793 1371511007 /nfs/dbraw/zinc/51/10/07/1371511007.db2.gz GDVJXBOBQBHLNK-UHFFFAOYSA-N 2 2 334.508 3.118 20 0 EGADLP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)o1 ZINC001120258774 1371516813 /nfs/dbraw/zinc/51/68/13/1371516813.db2.gz IKVXCNAUIOMVHP-VGPLMAKISA-N 2 2 325.250 3.290 20 0 EGADLP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)o1 ZINC001120258774 1371516817 /nfs/dbraw/zinc/51/68/17/1371516817.db2.gz IKVXCNAUIOMVHP-VGPLMAKISA-N 2 2 325.250 3.290 20 0 EGADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001208088693 1371592967 /nfs/dbraw/zinc/59/29/67/1371592967.db2.gz MEZREUVGQDKBNA-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001208088693 1371592972 /nfs/dbraw/zinc/59/29/72/1371592972.db2.gz MEZREUVGQDKBNA-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CCCC3CCCC3)C2)C1 ZINC001208088693 1371592975 /nfs/dbraw/zinc/59/29/75/1371592975.db2.gz MEZREUVGQDKBNA-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001208088693 1371592976 /nfs/dbraw/zinc/59/29/76/1371592976.db2.gz MEZREUVGQDKBNA-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001208411172 1371757686 /nfs/dbraw/zinc/75/76/86/1371757686.db2.gz OLGXFXKVQKEAJV-SJLPKXTDSA-N 2 2 348.535 3.189 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559130 1371817060 /nfs/dbraw/zinc/81/70/60/1371817060.db2.gz DJNJSOSPUHEEBA-ZEEJPTQHSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001208559130 1371817063 /nfs/dbraw/zinc/81/70/63/1371817063.db2.gz DJNJSOSPUHEEBA-ZEEJPTQHSA-N 2 2 344.503 3.013 20 0 EGADLP C[C@H](CC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)CC(C)(C)C ZINC001208661612 1371854868 /nfs/dbraw/zinc/85/48/68/1371854868.db2.gz WXTVVPMDEDUZPY-MRXNPFEDSA-N 2 2 344.507 3.191 20 0 EGADLP C[C@H](CC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1)CC(C)(C)C ZINC001208661612 1371854872 /nfs/dbraw/zinc/85/48/72/1371854872.db2.gz WXTVVPMDEDUZPY-MRXNPFEDSA-N 2 2 344.507 3.191 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985073 1371968598 /nfs/dbraw/zinc/96/85/98/1371968598.db2.gz MUOHVFFQIANPSG-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985073 1371968604 /nfs/dbraw/zinc/96/86/04/1371968604.db2.gz MUOHVFFQIANPSG-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP CCOC(=O)CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209035966 1371980333 /nfs/dbraw/zinc/98/03/33/1371980333.db2.gz FMZIDTXIUFGHGY-UHFFFAOYSA-N 2 2 338.879 3.189 20 0 EGADLP CCOC(=O)CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001209035966 1371980335 /nfs/dbraw/zinc/98/03/35/1371980335.db2.gz FMZIDTXIUFGHGY-UHFFFAOYSA-N 2 2 338.879 3.189 20 0 EGADLP O=C1CC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)c2ccccc21 ZINC001209453723 1372110738 /nfs/dbraw/zinc/11/07/38/1372110738.db2.gz KWMMBSPPFMSWIN-UHFFFAOYSA-N 2 2 326.484 3.483 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)c1 ZINC001209488850 1372119569 /nfs/dbraw/zinc/11/95/69/1372119569.db2.gz COTYZFSAMAKEGP-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP CC1(C)CCC(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001130266132 1373481235 /nfs/dbraw/zinc/48/12/35/1373481235.db2.gz MMOQGBJLLWODBG-UHFFFAOYSA-N 2 2 328.460 3.099 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266143 1373481275 /nfs/dbraw/zinc/48/12/75/1373481275.db2.gz MVIMUUBXSLQTLM-UHFFFAOYSA-N 2 2 342.830 3.044 20 0 EGADLP O=C(NCC[NH2+]Cc1cccc(C(F)F)c1)c1cc2c[nH+]ccc2[nH]1 ZINC001130265988 1373481359 /nfs/dbraw/zinc/48/13/59/1373481359.db2.gz HEGQGWDHTQBNDM-UHFFFAOYSA-N 2 2 344.365 3.020 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1Cl ZINC001130268754 1373481850 /nfs/dbraw/zinc/48/18/50/1373481850.db2.gz HIHTWDBHQJDUCZ-LBPRGKRZSA-N 2 2 342.830 3.297 20 0 EGADLP Cc1cc(C)c(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)c1 ZINC001130266447 1373481965 /nfs/dbraw/zinc/48/19/65/1373481965.db2.gz XMVNXPOAIRYTLY-UHFFFAOYSA-N 2 2 336.439 3.008 20 0 EGADLP Cc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cc(C(F)(F)F)c1 ZINC001218896732 1373665241 /nfs/dbraw/zinc/66/52/41/1373665241.db2.gz ACGSRYBNBHQGBT-OAHLLOKOSA-N 2 2 337.345 3.225 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)c1ccccc1Cl ZINC001131273870 1373673289 /nfs/dbraw/zinc/67/32/89/1373673289.db2.gz WQKFERFSMAJCEL-ZDUSSCGKSA-N 2 2 342.830 3.068 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cc(Cl)cc3[nH]ccc32)cc1 ZINC001218992829 1373676203 /nfs/dbraw/zinc/67/62/03/1373676203.db2.gz RHHMSTWPFNSISO-AWEZNQCLSA-N 2 2 328.803 3.032 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2c3ccccc3-c3ccccc32)cc1 ZINC001220066978 1373750455 /nfs/dbraw/zinc/75/04/55/1373750455.db2.gz BILNZDACLLRPQG-HXUWFJFHSA-N 2 2 343.430 3.145 20 0 EGADLP Clc1ccn2ncc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2n1 ZINC001222173801 1373819204 /nfs/dbraw/zinc/81/92/04/1373819204.db2.gz XWEFPVQPDJLQBJ-GOSISDBHSA-N 2 2 347.894 3.129 20 0 EGADLP Clc1ccn2ncc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2n1 ZINC001222173801 1373819210 /nfs/dbraw/zinc/81/92/10/1373819210.db2.gz XWEFPVQPDJLQBJ-GOSISDBHSA-N 2 2 347.894 3.129 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)n1cc[nH+]c1 ZINC001326890385 1388341484 /nfs/dbraw/zinc/34/14/84/1388341484.db2.gz PHYWERJFPPLAGQ-KRWDZBQOSA-N 2 2 346.519 3.433 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224795624 1375077536 /nfs/dbraw/zinc/07/75/36/1375077536.db2.gz JMQPOPYQSMAPKV-DLBZAZTESA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224795624 1375077541 /nfs/dbraw/zinc/07/75/41/1375077541.db2.gz JMQPOPYQSMAPKV-DLBZAZTESA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132024432 1375104624 /nfs/dbraw/zinc/10/46/24/1375104624.db2.gz FSZCNLXJRTUYPK-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132024432 1375104627 /nfs/dbraw/zinc/10/46/27/1375104627.db2.gz FSZCNLXJRTUYPK-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546329 1375453390 /nfs/dbraw/zinc/45/33/90/1375453390.db2.gz KFPYCJXAANJQKE-MSOLQXFVSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546329 1375453393 /nfs/dbraw/zinc/45/33/93/1375453393.db2.gz KFPYCJXAANJQKE-MSOLQXFVSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546934 1375454590 /nfs/dbraw/zinc/45/45/90/1375454590.db2.gz UTERNRVOTUNFAJ-FUHWJXTLSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546934 1375454592 /nfs/dbraw/zinc/45/45/92/1375454592.db2.gz UTERNRVOTUNFAJ-FUHWJXTLSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[NH+]1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922810 1375491367 /nfs/dbraw/zinc/49/13/67/1375491367.db2.gz GJZHJAALCFCRQW-IBGZPJMESA-N 2 2 348.535 3.487 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001132921402 1375646049 /nfs/dbraw/zinc/64/60/49/1375646049.db2.gz YUHGIMRXKZZBBB-XTAPNBLTSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001228853559 1375694569 /nfs/dbraw/zinc/69/45/69/1375694569.db2.gz SBXLCAYFBZYFKA-USXIJHARSA-N 2 2 346.500 3.113 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021168 1375716973 /nfs/dbraw/zinc/71/69/73/1375716973.db2.gz JTKYSAKFWIGYQC-ZYHOBAKYSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001229384157 1375824372 /nfs/dbraw/zinc/82/43/72/1375824372.db2.gz AMTVTGQMGKPLKH-MRXNPFEDSA-N 2 2 334.508 3.241 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001133287848 1375897975 /nfs/dbraw/zinc/89/79/75/1375897975.db2.gz FHLJQSSYPYCRHV-ROUUACIJSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001133363863 1375945325 /nfs/dbraw/zinc/94/53/25/1375945325.db2.gz OQZUMQVRFSLJHO-ZWKOTPCHSA-N 2 2 348.535 3.174 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3CC[N@H+](Cc4ccccc4Cl)C3)ccc2[nH+]1 ZINC001230518342 1376048518 /nfs/dbraw/zinc/04/85/18/1376048518.db2.gz PMEMTSUWYVWTDP-AWEZNQCLSA-N 2 2 342.830 3.452 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)ccc2[nH+]1 ZINC001230518342 1376048529 /nfs/dbraw/zinc/04/85/29/1376048529.db2.gz PMEMTSUWYVWTDP-AWEZNQCLSA-N 2 2 342.830 3.452 20 0 EGADLP Nc1[nH]c2cc(O[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)ccc2[nH+]1 ZINC001230516165 1376048741 /nfs/dbraw/zinc/04/87/41/1376048741.db2.gz OTYGEZHYONSTOC-OAHLLOKOSA-N 2 2 340.402 3.328 20 0 EGADLP Nc1[nH]c2cc(O[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)ccc2[nH+]1 ZINC001230516165 1376048755 /nfs/dbraw/zinc/04/87/55/1376048755.db2.gz OTYGEZHYONSTOC-OAHLLOKOSA-N 2 2 340.402 3.328 20 0 EGADLP Cn1c[nH+]cc1-c1ccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC001231083284 1376200462 /nfs/dbraw/zinc/20/04/62/1376200462.db2.gz HWUDMOSFDVXWPC-UAPYVXQJSA-N 2 2 341.455 3.109 20 0 EGADLP c1nc(-c2cccnc2)oc1C[N@@H+]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001232137203 1376406567 /nfs/dbraw/zinc/40/65/67/1376406567.db2.gz HLQOATSINIELEU-KRWDZBQOSA-N 2 2 336.395 3.175 20 0 EGADLP c1nc(-c2cccnc2)oc1C[N@H+]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001232137203 1376406569 /nfs/dbraw/zinc/40/65/69/1376406569.db2.gz HLQOATSINIELEU-KRWDZBQOSA-N 2 2 336.395 3.175 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234770 1376427260 /nfs/dbraw/zinc/42/72/60/1376427260.db2.gz JYRPSLWYIFOTQK-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(C(C)(C)O)nc2)C2CCCC2)CC1 ZINC001232834492 1376521991 /nfs/dbraw/zinc/52/19/91/1376521991.db2.gz UTNUSAKVSJYFLH-UHFFFAOYSA-N 2 2 331.504 3.148 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(C(C)(C)O)nc2)C2CCCC2)CC1 ZINC001232834492 1376522004 /nfs/dbraw/zinc/52/20/04/1376522004.db2.gz UTNUSAKVSJYFLH-UHFFFAOYSA-N 2 2 331.504 3.148 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2cccnc2)c(C)[nH+]1 ZINC001135036665 1376860856 /nfs/dbraw/zinc/86/08/56/1376860856.db2.gz BJMYXVBCVVCGQR-HOCLYGCPSA-N 2 2 340.471 3.089 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632730 1376881724 /nfs/dbraw/zinc/88/17/24/1376881724.db2.gz KBCXRLDYSRBKSZ-OALUTQOASA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632730 1376881731 /nfs/dbraw/zinc/88/17/31/1376881731.db2.gz KBCXRLDYSRBKSZ-OALUTQOASA-N 2 2 348.535 3.439 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CCC1 ZINC001135098407 1376897524 /nfs/dbraw/zinc/89/75/24/1376897524.db2.gz XJMGRUIGWXYODF-CVEARBPZSA-N 2 2 340.471 3.159 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1 ZINC001235871847 1376906416 /nfs/dbraw/zinc/90/64/16/1376906416.db2.gz KFAHCHAYSMMDKY-UHFFFAOYSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)nc1 ZINC001235871847 1376906430 /nfs/dbraw/zinc/90/64/30/1376906430.db2.gz KFAHCHAYSMMDKY-UHFFFAOYSA-N 2 2 345.487 3.097 20 0 EGADLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894551 1376912695 /nfs/dbraw/zinc/91/26/95/1376912695.db2.gz XSVGRBLVXADLKO-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894551 1376912696 /nfs/dbraw/zinc/91/26/96/1376912696.db2.gz XSVGRBLVXADLKO-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235943911 1376921008 /nfs/dbraw/zinc/92/10/08/1376921008.db2.gz ZWPOSLRSJMIRHA-KGLIPLIRSA-N 2 2 328.378 3.145 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235943911 1376921012 /nfs/dbraw/zinc/92/10/12/1376921012.db2.gz ZWPOSLRSJMIRHA-KGLIPLIRSA-N 2 2 328.378 3.145 20 0 EGADLP COCC[N@H+](Cc1cc(Cl)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001235945013 1376921348 /nfs/dbraw/zinc/92/13/48/1376921348.db2.gz QDWXWOWGAPIJBB-UHFFFAOYSA-N 2 2 340.895 3.328 20 0 EGADLP COCC[N@@H+](Cc1cc(Cl)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001235945013 1376921353 /nfs/dbraw/zinc/92/13/53/1376921353.db2.gz QDWXWOWGAPIJBB-UHFFFAOYSA-N 2 2 340.895 3.328 20 0 EGADLP Cc1ccc([C@]2(C)C[N@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947447 1376921800 /nfs/dbraw/zinc/92/18/00/1376921800.db2.gz BJVVBMMETYGPJZ-JQHSSLGASA-N 2 2 338.442 3.033 20 0 EGADLP Cc1ccc([C@]2(C)C[N@@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947447 1376921827 /nfs/dbraw/zinc/92/18/27/1376921827.db2.gz BJVVBMMETYGPJZ-JQHSSLGASA-N 2 2 338.442 3.033 20 0 EGADLP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050298 1376928319 /nfs/dbraw/zinc/92/83/19/1376928319.db2.gz HKTVWGZEISEWCR-NHYWBVRUSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050298 1376928323 /nfs/dbraw/zinc/92/83/23/1376928323.db2.gz HKTVWGZEISEWCR-NHYWBVRUSA-N 2 2 334.261 3.166 20 0 EGADLP Fc1ccc(C[N@H+](CCCc2ccncc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388505 1376952504 /nfs/dbraw/zinc/95/25/04/1376952504.db2.gz LQIGGGDXQYCDDG-HXUWFJFHSA-N 2 2 327.447 3.408 20 0 EGADLP Fc1ccc(C[N@@H+](CCCc2ccncc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388505 1376952519 /nfs/dbraw/zinc/95/25/19/1376952519.db2.gz LQIGGGDXQYCDDG-HXUWFJFHSA-N 2 2 327.447 3.408 20 0 EGADLP C[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547045 1377052382 /nfs/dbraw/zinc/05/23/82/1377052382.db2.gz ALBZHMALEPJXTI-DOADOZAASA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547045 1377052384 /nfs/dbraw/zinc/05/23/84/1377052384.db2.gz ALBZHMALEPJXTI-DOADOZAASA-N 3 2 329.532 3.345 20 0 EGADLP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266456394 1377312179 /nfs/dbraw/zinc/31/21/79/1377312179.db2.gz VRXWWNMZYXYJIE-KRWDZBQOSA-N 2 2 342.487 3.227 20 0 EGADLP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266456394 1377312182 /nfs/dbraw/zinc/31/21/82/1377312182.db2.gz VRXWWNMZYXYJIE-KRWDZBQOSA-N 2 2 342.487 3.227 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001136759724 1377420965 /nfs/dbraw/zinc/42/09/65/1377420965.db2.gz LMXZCATYEHVNGD-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001136759724 1377420966 /nfs/dbraw/zinc/42/09/66/1377420966.db2.gz LMXZCATYEHVNGD-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1ccn2c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001136889020 1377436464 /nfs/dbraw/zinc/43/64/64/1377436464.db2.gz JJNFPEQUUWGMOE-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1ccn2c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnc2c1 ZINC001136889020 1377436466 /nfs/dbraw/zinc/43/64/66/1377436466.db2.gz JJNFPEQUUWGMOE-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP CC(C)n1cc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001137077708 1377473972 /nfs/dbraw/zinc/47/39/72/1377473972.db2.gz FUAJUZQONNRJDT-CALCHBBNSA-N 2 2 328.460 3.011 20 0 EGADLP CC(C)n1cc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001137077708 1377473974 /nfs/dbraw/zinc/47/39/74/1377473974.db2.gz FUAJUZQONNRJDT-CALCHBBNSA-N 2 2 328.460 3.011 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cn1 ZINC001137077708 1377473975 /nfs/dbraw/zinc/47/39/75/1377473975.db2.gz FUAJUZQONNRJDT-CALCHBBNSA-N 2 2 328.460 3.011 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cn1 ZINC001137077708 1377473977 /nfs/dbraw/zinc/47/39/77/1377473977.db2.gz FUAJUZQONNRJDT-CALCHBBNSA-N 2 2 328.460 3.011 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261302 1388499874 /nfs/dbraw/zinc/49/98/74/1388499874.db2.gz OZJHLBQOEATAFD-ZMHWVXQFSA-N 2 2 344.503 3.113 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001189261302 1388499879 /nfs/dbraw/zinc/49/98/79/1388499879.db2.gz OZJHLBQOEATAFD-ZMHWVXQFSA-N 2 2 344.503 3.113 20 0 EGADLP CCSc1ncc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cn1 ZINC001138657756 1377763573 /nfs/dbraw/zinc/76/35/73/1377763573.db2.gz PTGNXRRHEDUEDF-UHFFFAOYSA-N 2 2 334.533 3.427 20 0 EGADLP Cn1ccc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc21 ZINC001139189218 1377847165 /nfs/dbraw/zinc/84/71/65/1377847165.db2.gz BLMFIXXAYGELNY-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc21 ZINC001139189218 1377847168 /nfs/dbraw/zinc/84/71/68/1377847168.db2.gz BLMFIXXAYGELNY-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)ccc21 ZINC001139189218 1377847170 /nfs/dbraw/zinc/84/71/70/1377847170.db2.gz BLMFIXXAYGELNY-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)ccc21 ZINC001139189218 1377847174 /nfs/dbraw/zinc/84/71/74/1377847174.db2.gz BLMFIXXAYGELNY-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001139364233 1377874778 /nfs/dbraw/zinc/87/47/78/1377874778.db2.gz PPKOQLSFAJSBME-FUHWJXTLSA-N 2 2 341.455 3.284 20 0 EGADLP CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001139364233 1377874779 /nfs/dbraw/zinc/87/47/79/1377874779.db2.gz PPKOQLSFAJSBME-FUHWJXTLSA-N 2 2 341.455 3.284 20 0 EGADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC001139417166 1377881763 /nfs/dbraw/zinc/88/17/63/1377881763.db2.gz RGYHOIYRFRCXOV-UHFFFAOYSA-N 2 2 345.874 3.032 20 0 EGADLP CCC[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CC1 ZINC001139759568 1377947930 /nfs/dbraw/zinc/94/79/30/1377947930.db2.gz GZDTVISODMAVRW-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP CCC[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CC1 ZINC001139759568 1377947932 /nfs/dbraw/zinc/94/79/32/1377947932.db2.gz GZDTVISODMAVRW-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140025879 1377992000 /nfs/dbraw/zinc/99/20/00/1377992000.db2.gz FPHRIIVCLVCNHM-DNVCBOLYSA-N 2 2 341.455 3.344 20 0 EGADLP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1-n1cc[nH+]c1C ZINC001140025879 1377992001 /nfs/dbraw/zinc/99/20/01/1377992001.db2.gz FPHRIIVCLVCNHM-DNVCBOLYSA-N 2 2 341.455 3.344 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001140028548 1377993119 /nfs/dbraw/zinc/99/31/19/1377993119.db2.gz WJFJLTONGNPBNM-UHFFFAOYSA-N 2 2 333.439 3.350 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4cccc(F)c4)s3)C[C@@H]2C1 ZINC001140420414 1378060345 /nfs/dbraw/zinc/06/03/45/1378060345.db2.gz CDDSWFGGGGNQET-GJZGRUSLSA-N 2 2 331.460 3.333 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4cccc(F)c4)s3)C[C@H]2C1 ZINC001140420416 1378060648 /nfs/dbraw/zinc/06/06/48/1378060648.db2.gz CDDSWFGGGGNQET-HUUCEWRRSA-N 2 2 331.460 3.333 20 0 EGADLP CC(C)NC(=O)c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001140616439 1378098557 /nfs/dbraw/zinc/09/85/57/1378098557.db2.gz GPNJKRAYFDTGDE-UHFFFAOYSA-N 2 2 343.515 3.275 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801605 1378141959 /nfs/dbraw/zinc/14/19/59/1378141959.db2.gz SYEXENZRORGPCY-KGLIPLIRSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801605 1378141965 /nfs/dbraw/zinc/14/19/65/1378141965.db2.gz SYEXENZRORGPCY-KGLIPLIRSA-N 2 2 344.459 3.393 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276576948 1378180250 /nfs/dbraw/zinc/18/02/50/1378180250.db2.gz RQDZGTRDFJWCNY-FQEVSTJZSA-N 3 2 333.495 3.195 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1 ZINC001276576948 1378180255 /nfs/dbraw/zinc/18/02/55/1378180255.db2.gz RQDZGTRDFJWCNY-FQEVSTJZSA-N 3 2 333.495 3.195 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276576948 1378180257 /nfs/dbraw/zinc/18/02/57/1378180257.db2.gz RQDZGTRDFJWCNY-FQEVSTJZSA-N 3 2 333.495 3.195 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276576948 1378180260 /nfs/dbraw/zinc/18/02/60/1378180260.db2.gz RQDZGTRDFJWCNY-FQEVSTJZSA-N 3 2 333.495 3.195 20 0 EGADLP CCCCc1[nH]c(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c[nH+]1 ZINC001141068992 1378227779 /nfs/dbraw/zinc/22/77/79/1378227779.db2.gz RIMZLHAFQRLIDO-GOSISDBHSA-N 2 2 347.503 3.302 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c(F)c1 ZINC001141192456 1378264525 /nfs/dbraw/zinc/26/45/25/1378264525.db2.gz MNAWXJZSMOWCNN-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c(F)c1 ZINC001141192456 1378264528 /nfs/dbraw/zinc/26/45/28/1378264528.db2.gz MNAWXJZSMOWCNN-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(F)c1 ZINC001141192456 1378264531 /nfs/dbraw/zinc/26/45/31/1378264531.db2.gz MNAWXJZSMOWCNN-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(F)c1 ZINC001141192456 1378264536 /nfs/dbraw/zinc/26/45/36/1378264536.db2.gz MNAWXJZSMOWCNN-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccccc1C[NH+]1CC2(C[C@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001279987816 1378325943 /nfs/dbraw/zinc/32/59/43/1378325943.db2.gz HLYFHUQZOXMYNI-KRWDZBQOSA-N 2 2 346.434 3.103 20 0 EGADLP Cc1ccccc1C[NH+]1CC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001279987817 1378326123 /nfs/dbraw/zinc/32/61/23/1378326123.db2.gz HLYFHUQZOXMYNI-QGZVFWFLSA-N 2 2 346.434 3.103 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(OC4CCCC4)c3)C[C@H]2C1 ZINC001141525340 1378339281 /nfs/dbraw/zinc/33/92/81/1378339281.db2.gz JOCMYGMUSWIYRE-QZTJIDSGSA-N 2 2 344.499 3.400 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001281888863 1378455899 /nfs/dbraw/zinc/45/58/99/1378455899.db2.gz INUMWLCPROLZEM-ZWKOTPCHSA-N 2 2 340.471 3.074 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C(F)(F)F ZINC001143349539 1378585251 /nfs/dbraw/zinc/58/52/51/1378585251.db2.gz JGPANLGHTJBNMA-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1C(F)(F)F ZINC001143349539 1378585254 /nfs/dbraw/zinc/58/52/54/1378585254.db2.gz JGPANLGHTJBNMA-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1C(F)(F)F ZINC001143349539 1378585259 /nfs/dbraw/zinc/58/52/59/1378585259.db2.gz JGPANLGHTJBNMA-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1C(F)(F)F ZINC001143349539 1378585262 /nfs/dbraw/zinc/58/52/62/1378585262.db2.gz JGPANLGHTJBNMA-INIZCTEOSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)c(F)c(C)c3)CC2)c1 ZINC001143383520 1378590752 /nfs/dbraw/zinc/59/07/52/1378590752.db2.gz BGIJVXKAVAAOFK-UHFFFAOYSA-N 2 2 329.419 3.168 20 0 EGADLP COc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(OC(F)(F)F)c1 ZINC001144055033 1378675757 /nfs/dbraw/zinc/67/57/57/1378675757.db2.gz ABHIWFAOQJHDML-UHFFFAOYSA-N 2 2 344.377 3.121 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@@H]3C2)c1 ZINC001144171485 1378691872 /nfs/dbraw/zinc/69/18/72/1378691872.db2.gz BTFGFWNSGHPGPD-HZPDHXFCSA-N 2 2 338.480 3.188 20 0 EGADLP Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C(F)(F)F)c1 ZINC001144381971 1378723312 /nfs/dbraw/zinc/72/33/12/1378723312.db2.gz REAGXGGZTYZNHT-UHFFFAOYSA-N 2 2 337.345 3.128 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433717 1378731373 /nfs/dbraw/zinc/73/13/73/1378731373.db2.gz PCKRUVWAQLLTEG-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433717 1378731375 /nfs/dbraw/zinc/73/13/75/1378731375.db2.gz PCKRUVWAQLLTEG-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433717 1378731376 /nfs/dbraw/zinc/73/13/76/1378731376.db2.gz PCKRUVWAQLLTEG-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433717 1378731378 /nfs/dbraw/zinc/73/13/78/1378731378.db2.gz PCKRUVWAQLLTEG-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458989 1378843600 /nfs/dbraw/zinc/84/36/00/1378843600.db2.gz VGFYRCRLGDAPMA-QGZVFWFLSA-N 2 2 348.450 3.261 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001146714717 1378906278 /nfs/dbraw/zinc/90/62/78/1378906278.db2.gz QPIMQCGDEMUXRJ-IRXDYDNUSA-N 2 2 346.519 3.117 20 0 EGADLP O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001151976914 1379829455 /nfs/dbraw/zinc/82/94/55/1379829455.db2.gz WNKDHXUSQZVYNX-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093194 1380205064 /nfs/dbraw/zinc/20/50/64/1380205064.db2.gz UWJUTMAYTCFJTG-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093194 1380205068 /nfs/dbraw/zinc/20/50/68/1380205068.db2.gz UWJUTMAYTCFJTG-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP COc1cc2ccc(NC[C@@]3(F)CCCC[NH2+]C3)[nH+]c2cc1OC ZINC001155116662 1380411685 /nfs/dbraw/zinc/41/16/85/1380411685.db2.gz LDVDUSKXJPJEKH-GOSISDBHSA-N 2 2 333.407 3.146 20 0 EGADLP CCOC(=O)c1c(C)cc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]c1C ZINC001155268581 1380431156 /nfs/dbraw/zinc/43/11/56/1380431156.db2.gz SSCLTKFVRGOCTQ-UHFFFAOYSA-N 2 2 339.439 3.133 20 0 EGADLP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522325 1380464166 /nfs/dbraw/zinc/46/41/66/1380464166.db2.gz UXIVKYOTMDDKFG-HZPDHXFCSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522325 1380464168 /nfs/dbraw/zinc/46/41/68/1380464168.db2.gz UXIVKYOTMDDKFG-HZPDHXFCSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522260 1380464318 /nfs/dbraw/zinc/46/43/18/1380464318.db2.gz SESZMBZMBPTOBM-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522260 1380464319 /nfs/dbraw/zinc/46/43/19/1380464319.db2.gz SESZMBZMBPTOBM-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@H]3C[NH2+]Cc4ccsc43)nc[nH+]2)C1 ZINC001155566010 1380469292 /nfs/dbraw/zinc/46/92/92/1380469292.db2.gz XHCKILGTVLJPSX-OCCSQVGLSA-N 2 2 329.473 3.031 20 0 EGADLP Cc1cccc2c(C)cc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC001155591330 1380471058 /nfs/dbraw/zinc/47/10/58/1380471058.db2.gz HNUFPXRZAPLARK-OXJNMPFZSA-N 2 2 325.456 3.422 20 0 EGADLP [NH2+]=C(Nc1nc(Cl)nc2c1CC[NH2+]C2)C12CC3CC(CC(C3)C1)C2 ZINC001155956736 1380507787 /nfs/dbraw/zinc/50/77/87/1380507787.db2.gz YYXVFSHGLSTADM-UHFFFAOYSA-N 2 2 345.878 3.381 20 0 EGADLP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156177307 1380536592 /nfs/dbraw/zinc/53/65/92/1380536592.db2.gz SWGJSROXGQNSME-SBJJXXPASA-N 2 2 346.862 3.065 20 0 EGADLP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156177307 1380536593 /nfs/dbraw/zinc/53/65/93/1380536593.db2.gz SWGJSROXGQNSME-SBJJXXPASA-N 2 2 346.862 3.065 20 0 EGADLP Cc1cccc2c(NCC3([NH+](C)C)CC[NH+](C)CC3)nc(Cl)nc12 ZINC001156181939 1380537565 /nfs/dbraw/zinc/53/75/65/1380537565.db2.gz JWHCTECWBHSBLN-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP Nc1cc(CNc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC001156756224 1380627214 /nfs/dbraw/zinc/62/72/14/1380627214.db2.gz TVNJYTPHZVLUJM-UHFFFAOYSA-N 2 2 345.450 3.229 20 0 EGADLP Nc1cc(CNc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC001156756224 1380627217 /nfs/dbraw/zinc/62/72/17/1380627217.db2.gz TVNJYTPHZVLUJM-UHFFFAOYSA-N 2 2 345.450 3.229 20 0 EGADLP Cc1[nH+]c(N)ccc1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001156980966 1380743231 /nfs/dbraw/zinc/74/32/31/1380743231.db2.gz RGSIGZUZWDQWSN-UHFFFAOYSA-N 2 2 331.851 3.229 20 0 EGADLP Fc1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(F)c1Cl ZINC001157710029 1381010622 /nfs/dbraw/zinc/01/06/22/1381010622.db2.gz YINMOHJGAZGVRO-UHFFFAOYSA-N 2 2 338.789 3.035 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050703 1381113639 /nfs/dbraw/zinc/11/36/39/1381113639.db2.gz SHDLWIFXOMYMGV-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050703 1381113647 /nfs/dbraw/zinc/11/36/47/1381113647.db2.gz SHDLWIFXOMYMGV-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050703 1381113651 /nfs/dbraw/zinc/11/36/51/1381113651.db2.gz SHDLWIFXOMYMGV-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050703 1381113653 /nfs/dbraw/zinc/11/36/53/1381113653.db2.gz SHDLWIFXOMYMGV-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158089840 1381125580 /nfs/dbraw/zinc/12/55/80/1381125580.db2.gz FAUBPJVJAPQMLG-PNBJTTCPSA-N 2 2 344.503 3.182 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158089840 1381125587 /nfs/dbraw/zinc/12/55/87/1381125587.db2.gz FAUBPJVJAPQMLG-PNBJTTCPSA-N 2 2 344.503 3.182 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158089840 1381125591 /nfs/dbraw/zinc/12/55/91/1381125591.db2.gz FAUBPJVJAPQMLG-PNBJTTCPSA-N 2 2 344.503 3.182 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158089840 1381125595 /nfs/dbraw/zinc/12/55/95/1381125595.db2.gz FAUBPJVJAPQMLG-PNBJTTCPSA-N 2 2 344.503 3.182 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090311 1381125627 /nfs/dbraw/zinc/12/56/27/1381125627.db2.gz ULSGZKZPLOYMSI-BRWVUGGUSA-N 2 2 332.492 3.016 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090311 1381125630 /nfs/dbraw/zinc/12/56/30/1381125630.db2.gz ULSGZKZPLOYMSI-BRWVUGGUSA-N 2 2 332.492 3.016 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090311 1381125634 /nfs/dbraw/zinc/12/56/34/1381125634.db2.gz ULSGZKZPLOYMSI-BRWVUGGUSA-N 2 2 332.492 3.016 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090311 1381125638 /nfs/dbraw/zinc/12/56/38/1381125638.db2.gz ULSGZKZPLOYMSI-BRWVUGGUSA-N 2 2 332.492 3.016 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001158107357 1381130347 /nfs/dbraw/zinc/13/03/47/1381130347.db2.gz LCDZYKYBWUCLEY-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C)n1cc[nH+]c1 ZINC001158107357 1381130349 /nfs/dbraw/zinc/13/03/49/1381130349.db2.gz LCDZYKYBWUCLEY-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296477 1381188568 /nfs/dbraw/zinc/18/85/68/1381188568.db2.gz MDCVOWSMTXLNSL-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296477 1381188574 /nfs/dbraw/zinc/18/85/74/1381188574.db2.gz MDCVOWSMTXLNSL-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(C)[nH+]c(C2CC2)n1 ZINC001158297735 1381189845 /nfs/dbraw/zinc/18/98/45/1381189845.db2.gz QGZBBODZGIANHG-UHFFFAOYSA-N 2 2 336.439 3.425 20 0 EGADLP Cc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c2c([nH+]1)CCC2 ZINC001159546447 1381824740 /nfs/dbraw/zinc/82/47/40/1381824740.db2.gz VGOPEBFJEXDSLL-UHFFFAOYSA-N 2 2 326.488 3.008 20 0 EGADLP CCN(CC)c1cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)nc[nH+]1 ZINC001160013889 1381968745 /nfs/dbraw/zinc/96/87/45/1381968745.db2.gz XEUCMUGBSPJCFA-OAHLLOKOSA-N 2 2 337.471 3.465 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431153 1382101328 /nfs/dbraw/zinc/10/13/28/1382101328.db2.gz NLMQTJVQNBOIND-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431153 1382101329 /nfs/dbraw/zinc/10/13/29/1382101329.db2.gz NLMQTJVQNBOIND-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431153 1382101333 /nfs/dbraw/zinc/10/13/33/1382101333.db2.gz NLMQTJVQNBOIND-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431153 1382101336 /nfs/dbraw/zinc/10/13/36/1382101336.db2.gz NLMQTJVQNBOIND-QZTJIDSGSA-N 2 2 344.503 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC2=CC[N@H+](CCC(C)C)CC2)c[nH+]1 ZINC001160492177 1382121833 /nfs/dbraw/zinc/12/18/33/1382121833.db2.gz NNHRXFGZDVWPKR-UHFFFAOYSA-N 2 2 346.519 3.111 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC2=CC[N@@H+](CCC(C)C)CC2)c[nH+]1 ZINC001160492177 1382121837 /nfs/dbraw/zinc/12/18/37/1382121837.db2.gz NNHRXFGZDVWPKR-UHFFFAOYSA-N 2 2 346.519 3.111 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001160527733 1382132185 /nfs/dbraw/zinc/13/21/85/1382132185.db2.gz ATBXRQMWVKDIFH-KRWDZBQOSA-N 2 2 336.524 3.393 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356422 1382382298 /nfs/dbraw/zinc/38/22/98/1382382298.db2.gz OSXDIFCAYXJHMI-WRFKIARRSA-N 2 2 344.503 3.329 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356422 1382382301 /nfs/dbraw/zinc/38/23/01/1382382301.db2.gz OSXDIFCAYXJHMI-WRFKIARRSA-N 2 2 344.503 3.329 20 0 EGADLP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993832 1382592590 /nfs/dbraw/zinc/59/25/90/1382592590.db2.gz KMGGQFWNYMMCJR-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161993832 1382592594 /nfs/dbraw/zinc/59/25/94/1382592594.db2.gz KMGGQFWNYMMCJR-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP CCc1cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC001162196774 1382655095 /nfs/dbraw/zinc/65/50/95/1382655095.db2.gz FIZSGAXWOBSXOB-SAABIXHNSA-N 2 2 325.460 3.019 20 0 EGADLP COCc1cc[nH+]c(NCCCP(CCC[NH3+])c2ccccc2)c1 ZINC001162467090 1382766178 /nfs/dbraw/zinc/76/61/78/1382766178.db2.gz OQRBAOJNNUSOHB-UHFFFAOYSA-N 2 2 345.427 3.186 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1c(Br)ccc2[nH+]ccn21 ZINC001162471988 1382768009 /nfs/dbraw/zinc/76/80/09/1382768009.db2.gz SCUKZNLOYSVXRN-VXGBXAGGSA-N 2 2 337.265 3.144 20 0 EGADLP C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001162913872 1382914591 /nfs/dbraw/zinc/91/45/91/1382914591.db2.gz MDEXEGNHXFTUAL-HNAYVOBHSA-N 3 2 334.467 3.183 20 0 EGADLP C[C@H]([NH3+])c1ccc2c(ccn2-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001162913872 1382914595 /nfs/dbraw/zinc/91/45/95/1382914595.db2.gz MDEXEGNHXFTUAL-HNAYVOBHSA-N 3 2 334.467 3.183 20 0 EGADLP Cc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)[nH+]cc1C(F)(F)F ZINC001163055808 1382956090 /nfs/dbraw/zinc/95/60/90/1382956090.db2.gz GFGUBQGSXLATAL-ZDUSSCGKSA-N 2 2 338.377 3.432 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(NC3CCC(C[NH+](C)C)CC3)c2[nH]1 ZINC001163298473 1383015278 /nfs/dbraw/zinc/01/52/78/1383015278.db2.gz BOUUOHRJTYWXHU-UHFFFAOYSA-N 2 2 344.459 3.272 20 0 EGADLP CCC/C=C/CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473828 1383059395 /nfs/dbraw/zinc/05/93/95/1383059395.db2.gz XALXTIOGUUTEKN-SNAWJCMRSA-N 2 2 340.471 3.328 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3cnc4ccccc4c3)c2)C1 ZINC001164206085 1383166083 /nfs/dbraw/zinc/16/60/83/1383166083.db2.gz HMIPNWLVIWTYKJ-LJQANCHMSA-N 2 2 332.451 3.380 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3cnc4ccccc4c3)c2)C1 ZINC001164206085 1383166084 /nfs/dbraw/zinc/16/60/84/1383166084.db2.gz HMIPNWLVIWTYKJ-LJQANCHMSA-N 2 2 332.451 3.380 20 0 EGADLP COc1cc2ccc(N3CCC[C@](C)(C[NH3+])CC3)[nH+]c2cc1OC ZINC001164246993 1383170966 /nfs/dbraw/zinc/17/09/66/1383170966.db2.gz GEJKHJOJIWIZEX-IBGZPJMESA-N 2 2 329.444 3.207 20 0 EGADLP c1ccc(C[NH+]2CC3(CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C3)C2)cc1 ZINC001165124706 1383232549 /nfs/dbraw/zinc/23/25/49/1383232549.db2.gz NZELLFMPBNCZQP-UHFFFAOYSA-N 2 2 344.462 3.374 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001165168543 1383240565 /nfs/dbraw/zinc/24/05/65/1383240565.db2.gz KQIPYDZLRDLKET-XLIONFOSSA-N 2 2 341.886 3.443 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001165168543 1383240567 /nfs/dbraw/zinc/24/05/67/1383240567.db2.gz KQIPYDZLRDLKET-XLIONFOSSA-N 2 2 341.886 3.443 20 0 EGADLP FC(F)(F)[C@@H]1N(c2cccc(C3CC3)[nH+]2)CCC12CC[NH2+]CC2 ZINC001165268083 1383262497 /nfs/dbraw/zinc/26/24/97/1383262497.db2.gz PAVCLNMSRISTDK-OAHLLOKOSA-N 2 2 325.378 3.470 20 0 EGADLP FC(F)(F)[C@H]1N(c2cccc(C3CC3)[nH+]2)CCC12CC[NH2+]CC2 ZINC001165268082 1383262534 /nfs/dbraw/zinc/26/25/34/1383262534.db2.gz PAVCLNMSRISTDK-HNNXBMFYSA-N 2 2 325.378 3.470 20 0 EGADLP CC1CCC(C[NH2+]CC2(CCNC(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001165383746 1383283022 /nfs/dbraw/zinc/28/30/22/1383283022.db2.gz UASYVTAILAEEHQ-UHFFFAOYSA-N 2 2 346.519 3.045 20 0 EGADLP CC1CCC(C[NH2+]CC2(CCNC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001165383746 1383283024 /nfs/dbraw/zinc/28/30/24/1383283024.db2.gz UASYVTAILAEEHQ-UHFFFAOYSA-N 2 2 346.519 3.045 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2(C[NH2+]CC[C@H](C)F)CC2)c(C)[nH+]1 ZINC001166293801 1383409791 /nfs/dbraw/zinc/40/97/91/1383409791.db2.gz BSSLFOMBSFUURF-AWEZNQCLSA-N 2 2 335.467 3.245 20 0 EGADLP Cc1cc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)nc(C2CC2)[nH+]1 ZINC001167161963 1383556040 /nfs/dbraw/zinc/55/60/40/1383556040.db2.gz FAOHYYCJYSAOPU-UHFFFAOYSA-N 2 2 334.467 3.304 20 0 EGADLP C[C@H](CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001167348614 1383606691 /nfs/dbraw/zinc/60/66/91/1383606691.db2.gz ODKJIEWUAWJRNF-QGZVFWFLSA-N 2 2 346.519 3.291 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422107 1383628959 /nfs/dbraw/zinc/62/89/59/1383628959.db2.gz ITFLOKGFHBLEDL-KEGWNNHHSA-N 2 2 346.519 3.211 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422107 1383628963 /nfs/dbraw/zinc/62/89/63/1383628963.db2.gz ITFLOKGFHBLEDL-KEGWNNHHSA-N 2 2 346.519 3.211 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001167429057 1383631939 /nfs/dbraw/zinc/63/19/39/1383631939.db2.gz PVXGCYIWRLZWFK-INIZCTEOSA-N 2 2 334.508 3.147 20 0 EGADLP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC001167432150 1383633032 /nfs/dbraw/zinc/63/30/32/1383633032.db2.gz HPMBVYFARLYQFX-GOSISDBHSA-N 2 2 342.487 3.056 20 0 EGADLP Nc1cc(CNc2[nH+]cnc3c2ccn3Cc2ccccc2F)cc[nH+]1 ZINC001167615098 1383690062 /nfs/dbraw/zinc/69/00/62/1383690062.db2.gz YKUCGYXPGJTYNT-UHFFFAOYSA-N 2 2 348.385 3.208 20 0 EGADLP CSc1nc(N2CCCC2)cc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC001167751465 1383729713 /nfs/dbraw/zinc/72/97/13/1383729713.db2.gz KVHICHXKWIAKLB-OAHLLOKOSA-N 2 2 349.548 3.475 20 0 EGADLP CSc1nc(N2CCCC2)cc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC001167751465 1383729718 /nfs/dbraw/zinc/72/97/18/1383729718.db2.gz KVHICHXKWIAKLB-OAHLLOKOSA-N 2 2 349.548 3.475 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001167752854 1383730650 /nfs/dbraw/zinc/73/06/50/1383730650.db2.gz YQGLUIOJOLKXOQ-OAHLLOKOSA-N 2 2 327.476 3.372 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001167752854 1383730653 /nfs/dbraw/zinc/73/06/53/1383730653.db2.gz YQGLUIOJOLKXOQ-OAHLLOKOSA-N 2 2 327.476 3.372 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(C)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039336 1383802778 /nfs/dbraw/zinc/80/27/78/1383802778.db2.gz DJGNOOFHHWZIHJ-XEMDLRDOSA-N 2 2 326.488 3.294 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(C)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039336 1383802780 /nfs/dbraw/zinc/80/27/80/1383802780.db2.gz DJGNOOFHHWZIHJ-XEMDLRDOSA-N 2 2 326.488 3.294 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(C)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039336 1383802784 /nfs/dbraw/zinc/80/27/84/1383802784.db2.gz DJGNOOFHHWZIHJ-XEMDLRDOSA-N 2 2 326.488 3.294 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(C)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039336 1383802786 /nfs/dbraw/zinc/80/27/86/1383802786.db2.gz DJGNOOFHHWZIHJ-XEMDLRDOSA-N 2 2 326.488 3.294 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC3)cs1 ZINC001168114943 1383820479 /nfs/dbraw/zinc/82/04/79/1383820479.db2.gz JTWLTSBWRZNWJR-MAUKXSAKSA-N 2 2 349.544 3.449 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC3)cs1 ZINC001168114943 1383820482 /nfs/dbraw/zinc/82/04/82/1383820482.db2.gz JTWLTSBWRZNWJR-MAUKXSAKSA-N 2 2 349.544 3.449 20 0 EGADLP Cc1cccc(C)c1N1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394977 1383894321 /nfs/dbraw/zinc/89/43/21/1383894321.db2.gz IZVCFLYXUCOVBR-UHFFFAOYSA-N 2 2 327.516 3.300 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168655539 1383959616 /nfs/dbraw/zinc/95/96/16/1383959616.db2.gz ZCJLCUYPXWQDFF-AZUAARDMSA-N 2 2 332.488 3.331 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168655539 1383959620 /nfs/dbraw/zinc/95/96/20/1383959620.db2.gz ZCJLCUYPXWQDFF-AZUAARDMSA-N 2 2 332.488 3.331 20 0 EGADLP Cc1cc(N2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)nc(C)[nH+]1 ZINC001168736751 1383985707 /nfs/dbraw/zinc/98/57/07/1383985707.db2.gz ZWDFOAKLFOTXMM-INIZCTEOSA-N 2 2 342.874 3.036 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107607 1384107703 /nfs/dbraw/zinc/10/77/03/1384107703.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 3 2 339.527 3.397 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107607 1384107705 /nfs/dbraw/zinc/10/77/05/1384107705.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169107607 1384107706 /nfs/dbraw/zinc/10/77/06/1384107706.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169107607 1384107708 /nfs/dbraw/zinc/10/77/08/1384107708.db2.gz IGCUCRDVHKXZSS-OUZSPBKPSA-N 3 2 339.527 3.397 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)CC(=O)c1ccccc1O3)C2 ZINC001169143155 1384113478 /nfs/dbraw/zinc/11/34/78/1384113478.db2.gz YMIHRDIGJJYCTI-BJWYYQGGSA-N 2 2 340.467 3.112 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)CC(=O)c1ccccc1O3)C2 ZINC001169143155 1384113479 /nfs/dbraw/zinc/11/34/79/1384113479.db2.gz YMIHRDIGJJYCTI-BJWYYQGGSA-N 2 2 340.467 3.112 20 0 EGADLP CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151430 1384115555 /nfs/dbraw/zinc/11/55/55/1384115555.db2.gz JNAJEVCOHCVVDT-YFVAEKQCSA-N 3 2 344.547 3.175 20 0 EGADLP CC1(C)C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)C[C@@](C)(C[NH3+])C1 ZINC001169151430 1384115557 /nfs/dbraw/zinc/11/55/57/1384115557.db2.gz JNAJEVCOHCVVDT-YFVAEKQCSA-N 3 2 344.547 3.175 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169254836 1384127852 /nfs/dbraw/zinc/12/78/52/1384127852.db2.gz IRNZMVLZEGRDHO-UHFFFAOYSA-N 3 2 331.504 3.052 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169254836 1384127854 /nfs/dbraw/zinc/12/78/54/1384127854.db2.gz IRNZMVLZEGRDHO-UHFFFAOYSA-N 3 2 331.504 3.052 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144369 1384247942 /nfs/dbraw/zinc/24/79/42/1384247942.db2.gz ILRDTGNPUOMBFJ-QNDJGXFYSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144369 1384247950 /nfs/dbraw/zinc/24/79/50/1384247950.db2.gz ILRDTGNPUOMBFJ-QNDJGXFYSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144369 1384247958 /nfs/dbraw/zinc/24/79/58/1384247958.db2.gz ILRDTGNPUOMBFJ-QNDJGXFYSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144369 1384247962 /nfs/dbraw/zinc/24/79/62/1384247962.db2.gz ILRDTGNPUOMBFJ-QNDJGXFYSA-N 2 2 349.544 3.163 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001170448778 1384321456 /nfs/dbraw/zinc/32/14/56/1384321456.db2.gz BWORLZHWNFWRNT-MRXNPFEDSA-N 2 2 327.428 3.270 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483974 1384328536 /nfs/dbraw/zinc/32/85/36/1384328536.db2.gz SFGRKPOUTBTHFY-IAGOWNOFSA-N 2 2 342.487 3.368 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170562950 1384342777 /nfs/dbraw/zinc/34/27/77/1384342777.db2.gz GIZVFVPLODJYTD-QAPCUYQASA-N 2 2 348.462 3.064 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170562950 1384342780 /nfs/dbraw/zinc/34/27/80/1384342780.db2.gz GIZVFVPLODJYTD-QAPCUYQASA-N 2 2 348.462 3.064 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCCC[NH2+]CCC3CC3)ccn12 ZINC001170784871 1384384524 /nfs/dbraw/zinc/38/45/24/1384384524.db2.gz KFDMRVMMWJVCQJ-HNNXBMFYSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170851872 1384398470 /nfs/dbraw/zinc/39/84/70/1384398470.db2.gz UTAFSYUDRGTIQY-DYVFJYSZSA-N 2 2 337.305 3.380 20 0 EGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170932611 1384414091 /nfs/dbraw/zinc/41/40/91/1384414091.db2.gz FUROVCYRNOGYKG-QGZVFWFLSA-N 2 2 336.907 3.240 20 0 EGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170932611 1384414092 /nfs/dbraw/zinc/41/40/92/1384414092.db2.gz FUROVCYRNOGYKG-QGZVFWFLSA-N 2 2 336.907 3.240 20 0 EGADLP C[NH+](C)Cc1c(F)cc(-n2c(CC[NH3+])cc3ccccc32)cc1F ZINC001171304706 1384490423 /nfs/dbraw/zinc/49/04/23/1384490423.db2.gz WFGOERHFMYWUCA-UHFFFAOYSA-N 2 2 329.394 3.472 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358427 1384500922 /nfs/dbraw/zinc/50/09/22/1384500922.db2.gz GVKVZDIROWBGEF-FVQBIDKESA-N 2 2 346.500 3.040 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358427 1384500928 /nfs/dbraw/zinc/50/09/28/1384500928.db2.gz GVKVZDIROWBGEF-FVQBIDKESA-N 2 2 346.500 3.040 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171607149 1384578746 /nfs/dbraw/zinc/57/87/46/1384578746.db2.gz ZMXZTFSBTSQYEZ-WBVHZDCISA-N 2 2 348.535 3.278 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171607149 1384578750 /nfs/dbraw/zinc/57/87/50/1384578750.db2.gz ZMXZTFSBTSQYEZ-WBVHZDCISA-N 2 2 348.535 3.278 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC001171732587 1384618207 /nfs/dbraw/zinc/61/82/07/1384618207.db2.gz CRIWNUFLTWMIHM-DYESRHJHSA-N 2 2 327.516 3.113 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797657 1384641359 /nfs/dbraw/zinc/64/13/59/1384641359.db2.gz XHDJDLZSXUGZHD-GHTZIAJQSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797657 1384641362 /nfs/dbraw/zinc/64/13/62/1384641362.db2.gz XHDJDLZSXUGZHD-GHTZIAJQSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797657 1384641364 /nfs/dbraw/zinc/64/13/64/1384641364.db2.gz XHDJDLZSXUGZHD-GHTZIAJQSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797657 1384641366 /nfs/dbraw/zinc/64/13/66/1384641366.db2.gz XHDJDLZSXUGZHD-GHTZIAJQSA-N 2 2 346.490 3.116 20 0 EGADLP Cc1[nH+]cn([C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)c1CC[NH3+] ZINC001171831716 1384654211 /nfs/dbraw/zinc/65/42/11/1384654211.db2.gz PBOYZBPNZKECKL-HNNXBMFYSA-N 2 2 348.491 3.187 20 0 EGADLP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171943113 1384690864 /nfs/dbraw/zinc/69/08/64/1384690864.db2.gz WTUGBGVDBKTPIS-KRWDZBQOSA-N 2 2 342.487 3.407 20 0 EGADLP Cc1cccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172113741 1384731072 /nfs/dbraw/zinc/73/10/72/1384731072.db2.gz JWMOTCLENMFODZ-BURNTYAHSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1cccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172113741 1384731076 /nfs/dbraw/zinc/73/10/76/1384731076.db2.gz JWMOTCLENMFODZ-BURNTYAHSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1ccc(C)c(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172113780 1384731578 /nfs/dbraw/zinc/73/15/78/1384731578.db2.gz MCLJOHDGJOHXGU-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(C)c(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172113780 1384731580 /nfs/dbraw/zinc/73/15/80/1384731580.db2.gz MCLJOHDGJOHXGU-PMOLBWCYSA-N 2 2 327.516 3.441 20 0 EGADLP C[NH+](C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)O2)C12CC3CC(CC(C3)C1)C2 ZINC001172223489 1384751292 /nfs/dbraw/zinc/75/12/92/1384751292.db2.gz YEABBTLHCXTHKJ-WDEJKIRISA-N 2 2 332.532 3.433 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](c2cccnc2Cl)C2CC2)CC1 ZINC001172249569 1384756132 /nfs/dbraw/zinc/75/61/32/1384756132.db2.gz OGCYYAIGIJRGAU-KRWDZBQOSA-N 2 2 337.895 3.277 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172350615 1384775410 /nfs/dbraw/zinc/77/54/10/1384775410.db2.gz NQYIQECSOCGESA-MMKMLUHNSA-N 2 2 348.531 3.459 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172350615 1384775412 /nfs/dbraw/zinc/77/54/12/1384775412.db2.gz NQYIQECSOCGESA-MMKMLUHNSA-N 2 2 348.531 3.459 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CCOC(C)C ZINC001172440479 1384791781 /nfs/dbraw/zinc/79/17/81/1384791781.db2.gz MOWRHYSZBCMUCT-YSIASYRMSA-N 2 2 334.504 3.069 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C)CCOC(C)C ZINC001172440479 1384791784 /nfs/dbraw/zinc/79/17/84/1384791784.db2.gz MOWRHYSZBCMUCT-YSIASYRMSA-N 2 2 334.504 3.069 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CCOCC(C)C ZINC001172467856 1384799029 /nfs/dbraw/zinc/79/90/29/1384799029.db2.gz MRZIIMKDLDHXMX-HMXCVIKNSA-N 2 2 348.531 3.317 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CCOCC(C)C ZINC001172467856 1384799031 /nfs/dbraw/zinc/79/90/31/1384799031.db2.gz MRZIIMKDLDHXMX-HMXCVIKNSA-N 2 2 348.531 3.317 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC001172832494 1384861775 /nfs/dbraw/zinc/86/17/75/1384861775.db2.gz WVNHINHATLJIBI-OAQYLSRUSA-N 3 2 331.548 3.058 20 0 EGADLP CC[N@H+](C)C1CC[NH+]([C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075548 1384908552 /nfs/dbraw/zinc/90/85/52/1384908552.db2.gz LBOGSBXVVUGQMA-RDJZCZTQSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173075548 1384908555 /nfs/dbraw/zinc/90/85/55/1384908555.db2.gz LBOGSBXVVUGQMA-RDJZCZTQSA-N 2 2 339.524 3.191 20 0 EGADLP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001173090251 1384912154 /nfs/dbraw/zinc/91/21/54/1384912154.db2.gz JJKDDIXNSPKCCV-GFCCVEGCSA-N 2 2 327.350 3.082 20 0 EGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCc3ncsc3C2)CC1 ZINC001173123931 1384919005 /nfs/dbraw/zinc/91/90/05/1384919005.db2.gz BDTNDCQYZDEHRN-RBSFLKMASA-N 2 2 328.485 3.172 20 0 EGADLP COC(=O)CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001173441928 1384970997 /nfs/dbraw/zinc/97/09/97/1384970997.db2.gz BAUINXHZMVDBHC-MJGOQNOKSA-N 2 2 332.488 3.363 20 0 EGADLP COC(=O)CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001173441928 1384971000 /nfs/dbraw/zinc/97/10/00/1384971000.db2.gz BAUINXHZMVDBHC-MJGOQNOKSA-N 2 2 332.488 3.363 20 0 EGADLP Fc1c[nH+]ccc1N(C1Cc2cc(F)c(F)cc2C1)C1CC[NH2+]CC1 ZINC001173482082 1384979224 /nfs/dbraw/zinc/97/92/24/1384979224.db2.gz VMRSUUAZVSLFOR-UHFFFAOYSA-N 2 2 347.384 3.225 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001173641164 1384994201 /nfs/dbraw/zinc/99/42/01/1384994201.db2.gz OGPVLVCHKOLYTG-HZPDHXFCSA-N 2 2 332.444 3.047 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479397 1385305546 /nfs/dbraw/zinc/30/55/46/1385305546.db2.gz QUTBIBSVBRNRMK-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175480286 1385306496 /nfs/dbraw/zinc/30/64/96/1385306496.db2.gz WXQNAXXWMTWJFB-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001175638202 1385359492 /nfs/dbraw/zinc/35/94/92/1385359492.db2.gz MAXQQBPOSXMXLF-CABCVRRESA-N 2 2 348.516 3.115 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001175638202 1385359497 /nfs/dbraw/zinc/35/94/97/1385359497.db2.gz MAXQQBPOSXMXLF-CABCVRRESA-N 2 2 348.516 3.115 20 0 EGADLP CC[NH+]1CCN(c2ccc([N@@H+]3CCCc4cc(N)ccc43)cc2)CC1 ZINC001175783153 1385404354 /nfs/dbraw/zinc/40/43/54/1385404354.db2.gz YZTMSUIUYJBUAB-UHFFFAOYSA-N 2 2 336.483 3.495 20 0 EGADLP CC[NH+]1CCN(c2ccc([N@H+]3CCCc4cc(N)ccc43)cc2)CC1 ZINC001175783153 1385404356 /nfs/dbraw/zinc/40/43/56/1385404356.db2.gz YZTMSUIUYJBUAB-UHFFFAOYSA-N 2 2 336.483 3.495 20 0 EGADLP COc1cc[nH+]cc1Nc1ccc(OCC[NH+]2CCCC2)c(OC)c1 ZINC001176125161 1385491012 /nfs/dbraw/zinc/49/10/12/1385491012.db2.gz XYOFBPLMZZKNLD-UHFFFAOYSA-N 2 2 343.427 3.317 20 0 EGADLP Cc1cccc2[nH+]cc(Nc3ccc(CC[NH+]4CCOCC4)cc3)n21 ZINC001176382842 1385571270 /nfs/dbraw/zinc/57/12/70/1385571270.db2.gz RZEFUJYEYRYFLO-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810552 1385710466 /nfs/dbraw/zinc/71/04/66/1385710466.db2.gz LPZJERNMWCFISF-XDXAGZTOSA-N 2 2 334.508 3.284 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318530705 1385739540 /nfs/dbraw/zinc/73/95/40/1385739540.db2.gz QJUNUQJABRMRQZ-CZUORRHYSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001318530705 1385739542 /nfs/dbraw/zinc/73/95/42/1385739542.db2.gz QJUNUQJABRMRQZ-CZUORRHYSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Oc1ccccc1F ZINC001318553277 1385752122 /nfs/dbraw/zinc/75/21/22/1385752122.db2.gz SBYUVVMQZPGOCM-LBPRGKRZSA-N 2 2 340.358 3.121 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC001177278537 1385894463 /nfs/dbraw/zinc/89/44/63/1385894463.db2.gz ZCKDILBWSXVWBI-DLBZAZTESA-N 2 2 337.552 3.266 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC001177278537 1385894467 /nfs/dbraw/zinc/89/44/67/1385894467.db2.gz ZCKDILBWSXVWBI-DLBZAZTESA-N 2 2 337.552 3.266 20 0 EGADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001177510562 1385981735 /nfs/dbraw/zinc/98/17/35/1385981735.db2.gz IZMHLBRLMFHBFW-MOPGFXCFSA-N 2 2 346.515 3.314 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)c1 ZINC001319377087 1386090742 /nfs/dbraw/zinc/09/07/42/1386090742.db2.gz HVADZTLQCBGIEU-MRXNPFEDSA-N 2 2 340.471 3.040 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001319461595 1386132044 /nfs/dbraw/zinc/13/20/44/1386132044.db2.gz UJSLLKAPEVDEBE-CVEARBPZSA-N 2 2 344.503 3.375 20 0 EGADLP CC1(C)CC(C[NH2+]CCCCCCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001178346656 1386193453 /nfs/dbraw/zinc/19/34/53/1386193453.db2.gz UQYZXVXZGKSBGE-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nc3c(s2)CCC3)[nH+]1 ZINC001319814732 1386311589 /nfs/dbraw/zinc/31/15/89/1386311589.db2.gz VSCCFPWLNUIZFX-AWEZNQCLSA-N 2 2 328.485 3.412 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nc3c(s2)CCC3)[nH+]1 ZINC001319814732 1386311593 /nfs/dbraw/zinc/31/15/93/1386311593.db2.gz VSCCFPWLNUIZFX-AWEZNQCLSA-N 2 2 328.485 3.412 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178881475 1386337957 /nfs/dbraw/zinc/33/79/57/1386337957.db2.gz XPCVXOHDMYMLPQ-QGZVFWFLSA-N 2 2 346.519 3.055 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178881475 1386337961 /nfs/dbraw/zinc/33/79/61/1386337961.db2.gz XPCVXOHDMYMLPQ-QGZVFWFLSA-N 2 2 346.519 3.055 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179689714 1386554210 /nfs/dbraw/zinc/55/42/10/1386554210.db2.gz KFSFFPFGHDNZPA-UHFFFAOYSA-N 2 2 332.492 3.109 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001179690074 1386555298 /nfs/dbraw/zinc/55/52/98/1386555298.db2.gz ZCWZFXVOLOSUIZ-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP C[C@H]1CCCC[C@]1(C[NH2+]CC1CCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001698658722 1406309250 /nfs/dbraw/zinc/30/92/50/1406309250.db2.gz DVHXDUREALMZAS-FXAWDEMLSA-N 2 2 346.519 3.118 20 0 EGADLP COc1nc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)ccc1C ZINC001179938784 1386637614 /nfs/dbraw/zinc/63/76/14/1386637614.db2.gz YEBBDSDYOPLUEB-KRWDZBQOSA-N 2 2 326.444 3.179 20 0 EGADLP COc1nc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)ccc1C ZINC001179938784 1386637617 /nfs/dbraw/zinc/63/76/17/1386637617.db2.gz YEBBDSDYOPLUEB-KRWDZBQOSA-N 2 2 326.444 3.179 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+][C@H](C)c1ccccc1 ZINC001180158577 1386716994 /nfs/dbraw/zinc/71/69/94/1386716994.db2.gz NHIWVBQMLIHFTM-MRXNPFEDSA-N 2 2 342.487 3.288 20 0 EGADLP C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638862 1387028367 /nfs/dbraw/zinc/02/83/67/1387028367.db2.gz VZQJGOZXJRBTKY-GHTZIAJQSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001181638862 1387028374 /nfs/dbraw/zinc/02/83/74/1387028374.db2.gz VZQJGOZXJRBTKY-GHTZIAJQSA-N 2 2 346.515 3.408 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC001322522071 1387200353 /nfs/dbraw/zinc/20/03/53/1387200353.db2.gz RVZHEDRBSRBFEP-SFHVURJKSA-N 2 2 331.504 3.012 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)c1 ZINC001182851582 1387234804 /nfs/dbraw/zinc/23/48/04/1387234804.db2.gz GNSIJLRAUHDZJS-SFHVURJKSA-N 2 2 340.471 3.476 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)c1 ZINC001182851582 1387234806 /nfs/dbraw/zinc/23/48/06/1387234806.db2.gz GNSIJLRAUHDZJS-SFHVURJKSA-N 2 2 340.471 3.476 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182856521 1387235499 /nfs/dbraw/zinc/23/54/99/1387235499.db2.gz WAPZMDZDEQAREU-MBOZVWFJSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182856521 1387235503 /nfs/dbraw/zinc/23/55/03/1387235503.db2.gz WAPZMDZDEQAREU-MBOZVWFJSA-N 2 2 348.535 3.099 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc2c(c1)CCC2 ZINC001322868249 1387249381 /nfs/dbraw/zinc/24/93/81/1387249381.db2.gz KJRKIUFRVLXSAI-UHFFFAOYSA-N 2 2 348.406 3.082 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC001330883060 1389553573 /nfs/dbraw/zinc/55/35/73/1389553573.db2.gz NBMMOJCHXOXGRA-SJLPKXTDSA-N 2 2 346.519 3.073 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC[NH2+]C(C)(C)C)C[C@@H](C)O1 ZINC001332966223 1390226164 /nfs/dbraw/zinc/22/61/64/1390226164.db2.gz WZXULGOZHNJOIY-HZPDHXFCSA-N 2 2 347.503 3.013 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(Br)n2)C1 ZINC001333027113 1390238822 /nfs/dbraw/zinc/23/88/22/1390238822.db2.gz GSYYADXJISKJFP-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(Br)n2)C1 ZINC001333027113 1390238824 /nfs/dbraw/zinc/23/88/24/1390238824.db2.gz GSYYADXJISKJFP-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)oc1C ZINC001341567814 1390503510 /nfs/dbraw/zinc/50/35/10/1390503510.db2.gz MQUQURJJZIYFEK-OAHLLOKOSA-N 2 2 343.427 3.155 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)oc1C ZINC001341567814 1390503512 /nfs/dbraw/zinc/50/35/12/1390503512.db2.gz MQUQURJJZIYFEK-OAHLLOKOSA-N 2 2 343.427 3.155 20 0 EGADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342756446 1390650268 /nfs/dbraw/zinc/65/02/68/1390650268.db2.gz XOXKEAFBABWZST-CQSZACIVSA-N 2 2 344.459 3.018 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cs1 ZINC001347434915 1391074713 /nfs/dbraw/zinc/07/47/13/1391074713.db2.gz KZFVXIWLWQARRM-CQSZACIVSA-N 2 2 330.501 3.054 20 0 EGADLP C[C@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001481333175 1393165676 /nfs/dbraw/zinc/16/56/76/1393165676.db2.gz BMEBMTJYOYDSTB-XYRDXQRHSA-N 2 2 346.862 3.146 20 0 EGADLP C[N@H+](CCCF)CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001698952386 1406693761 /nfs/dbraw/zinc/69/37/61/1406693761.db2.gz XCRPAXQUKGYAHP-UHFFFAOYSA-N 2 2 346.450 3.097 20 0 EGADLP C[N@@H+](CCCF)CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001698952386 1406693763 /nfs/dbraw/zinc/69/37/63/1406693763.db2.gz XCRPAXQUKGYAHP-UHFFFAOYSA-N 2 2 346.450 3.097 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001491211063 1394472791 /nfs/dbraw/zinc/47/27/91/1394472791.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001491211063 1394472794 /nfs/dbraw/zinc/47/27/94/1394472794.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001491211063 1394472796 /nfs/dbraw/zinc/47/27/96/1394472796.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001491211063 1394472799 /nfs/dbraw/zinc/47/27/99/1394472799.db2.gz XSFZSBBQMQUZRR-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482468499 1395023898 /nfs/dbraw/zinc/02/38/98/1395023898.db2.gz BCRUONZHAMMVAJ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482468499 1395023905 /nfs/dbraw/zinc/02/39/05/1395023905.db2.gz BCRUONZHAMMVAJ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484356405 1395344692 /nfs/dbraw/zinc/34/46/92/1395344692.db2.gz CPARQVDQYPRVHH-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491967040 1396301718 /nfs/dbraw/zinc/30/17/18/1396301718.db2.gz LOWHRNAAWMPJMQ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491967040 1396301719 /nfs/dbraw/zinc/30/17/19/1396301719.db2.gz LOWHRNAAWMPJMQ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001496353510 1396663533 /nfs/dbraw/zinc/66/35/33/1396663533.db2.gz YUVYOBLNCZCWJS-WBVHZDCISA-N 2 2 342.487 3.211 20 0 EGADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H](C)c1ccccc1 ZINC001690854923 1404778930 /nfs/dbraw/zinc/77/89/30/1404778930.db2.gz VFHAPUJUTMFKTG-CVEARBPZSA-N 2 2 336.439 3.194 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001690865261 1404784292 /nfs/dbraw/zinc/78/42/92/1404784292.db2.gz IJRCFWDFYJZOBA-JKSUJKDBSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C[C@H](C)CC(C)C ZINC001692098095 1405770603 /nfs/dbraw/zinc/77/06/03/1405770603.db2.gz XWSCWCLDIZODKZ-NUJGCVRESA-N 2 2 348.535 3.160 20 0 EGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]Cc1ccc(F)cc1 ZINC001698607631 1406236101 /nfs/dbraw/zinc/23/61/01/1406236101.db2.gz KVZPFBGGJGJHCO-SFHVURJKSA-N 2 2 343.446 3.444 20 0 EGADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001732150421 1428394274 /nfs/dbraw/zinc/39/42/74/1428394274.db2.gz XIGAJJMZRXUJIH-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001732150421 1428394277 /nfs/dbraw/zinc/39/42/77/1428394277.db2.gz XIGAJJMZRXUJIH-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001732150421 1428394278 /nfs/dbraw/zinc/39/42/78/1428394278.db2.gz XIGAJJMZRXUJIH-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001732150421 1428394284 /nfs/dbraw/zinc/39/42/84/1428394284.db2.gz XIGAJJMZRXUJIH-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699408674 1412722580 /nfs/dbraw/zinc/72/25/80/1412722580.db2.gz IOJQLUZBSQBYCK-LBPRGKRZSA-N 2 2 342.830 3.124 20 0 EGADLP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001699459251 1412810492 /nfs/dbraw/zinc/81/04/92/1412810492.db2.gz QZBHIJVUYSHCDJ-HNNXBMFYSA-N 2 2 330.476 3.211 20 0 EGADLP C[C@@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001699459251 1412810495 /nfs/dbraw/zinc/81/04/95/1412810495.db2.gz QZBHIJVUYSHCDJ-HNNXBMFYSA-N 2 2 330.476 3.211 20 0 EGADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCCC2CCCC2)C1 ZINC001699877693 1413339071 /nfs/dbraw/zinc/33/90/71/1413339071.db2.gz DDEOQBCONKWTJU-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001699877693 1413339072 /nfs/dbraw/zinc/33/90/72/1413339072.db2.gz DDEOQBCONKWTJU-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001732568055 1428761751 /nfs/dbraw/zinc/76/17/51/1428761751.db2.gz BCYMBGBRCYHWAU-DYVFJYSZSA-N 2 2 348.878 3.097 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001732698502 1428915158 /nfs/dbraw/zinc/91/51/58/1428915158.db2.gz ODWRSCRQLOVXTR-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001732698502 1428915162 /nfs/dbraw/zinc/91/51/62/1428915162.db2.gz ODWRSCRQLOVXTR-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713223830 1417811063 /nfs/dbraw/zinc/81/10/63/1417811063.db2.gz IDABUNGIZWTFLQ-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713223830 1417811068 /nfs/dbraw/zinc/81/10/68/1417811068.db2.gz IDABUNGIZWTFLQ-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP C[C@H]([NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC001713289435 1417916695 /nfs/dbraw/zinc/91/66/95/1417916695.db2.gz KSVZEXMYUZAGRW-IVMQYODDSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713327521 1417952117 /nfs/dbraw/zinc/95/21/17/1417952117.db2.gz PJPDAZLOXPJTGV-SJORKVTESA-N 2 2 342.487 3.262 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001713327518 1417952355 /nfs/dbraw/zinc/95/23/55/1417952355.db2.gz PJPDAZLOXPJTGV-DLBZAZTESA-N 2 2 342.487 3.262 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001713784179 1418600748 /nfs/dbraw/zinc/60/07/48/1418600748.db2.gz KRWKTMZWBQIQHF-INIZCTEOSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001713784179 1418600750 /nfs/dbraw/zinc/60/07/50/1418600750.db2.gz KRWKTMZWBQIQHF-INIZCTEOSA-N 2 2 348.535 3.337 20 0 EGADLP O=C(N[C@H](C[NH2+]CC1CCCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001733174327 1429276096 /nfs/dbraw/zinc/27/60/96/1429276096.db2.gz HGXYSYLSEVYUHG-LJQANCHMSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001713961050 1418741732 /nfs/dbraw/zinc/74/17/32/1418741732.db2.gz OILRCWDADLSCOM-SZMVWBNQSA-N 2 2 346.519 3.287 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109015 1418910347 /nfs/dbraw/zinc/91/03/47/1418910347.db2.gz FPGCQVQMMKZHDU-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109015 1418910351 /nfs/dbraw/zinc/91/03/51/1418910351.db2.gz FPGCQVQMMKZHDU-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001714388280 1419137651 /nfs/dbraw/zinc/13/76/51/1419137651.db2.gz VWQFNZOSEHQSKN-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP CC[C@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC001714507444 1419234908 /nfs/dbraw/zinc/23/49/08/1419234908.db2.gz AYMGEPSRKYWGCO-SFHVURJKSA-N 2 2 340.471 3.122 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715337698 1420041182 /nfs/dbraw/zinc/04/11/82/1420041182.db2.gz CRPYMXIEWJZONQ-GJZGRUSLSA-N 2 2 330.476 3.295 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001715775859 1420339095 /nfs/dbraw/zinc/33/90/95/1420339095.db2.gz YUJZOBWTQXOKPO-CYBMUJFWSA-N 2 2 348.878 3.113 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001716514453 1420744642 /nfs/dbraw/zinc/74/46/42/1420744642.db2.gz BYBWCZWXCKEQFQ-RTBURBONSA-N 2 2 346.519 3.118 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001716888697 1421012770 /nfs/dbraw/zinc/01/27/70/1421012770.db2.gz ZSSZDOVUVITQAX-QGZVFWFLSA-N 2 2 348.535 3.489 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001717358617 1421293937 /nfs/dbraw/zinc/29/39/37/1421293937.db2.gz JUJKTCBSOHGNLM-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001717358617 1421293940 /nfs/dbraw/zinc/29/39/40/1421293940.db2.gz JUJKTCBSOHGNLM-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH+](C/C=C\Cl)CC1 ZINC001733449144 1429660077 /nfs/dbraw/zinc/66/00/77/1429660077.db2.gz YSPNROCLGCDYTA-KXFIGUGUSA-N 2 2 346.862 3.147 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001723905633 1424601965 /nfs/dbraw/zinc/60/19/65/1424601965.db2.gz HYWRCSXTXPMUNL-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001723905633 1424601969 /nfs/dbraw/zinc/60/19/69/1424601969.db2.gz HYWRCSXTXPMUNL-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162578 1424699736 /nfs/dbraw/zinc/69/97/36/1424699736.db2.gz PZCMQKUEUSGYJA-FOIQADDNSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162578 1424699738 /nfs/dbraw/zinc/69/97/38/1424699738.db2.gz PZCMQKUEUSGYJA-FOIQADDNSA-N 2 2 342.487 3.439 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001731632693 1427686223 /nfs/dbraw/zinc/68/62/23/1427686223.db2.gz CHCBCXPGXKGIJI-LRDDRELGSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733880181 1437706654 /nfs/dbraw/zinc/70/66/54/1437706654.db2.gz YUJCGCPEFRLPBC-QAPCUYQASA-N 2 2 348.535 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001733880181 1437706656 /nfs/dbraw/zinc/70/66/56/1437706656.db2.gz YUJCGCPEFRLPBC-QAPCUYQASA-N 2 2 348.535 3.160 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001734335153 1438057653 /nfs/dbraw/zinc/05/76/53/1438057653.db2.gz UXTWPBSVHLHPNF-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752330193 1440171175 /nfs/dbraw/zinc/17/11/75/1440171175.db2.gz GTOLHLFIXLWRLF-WIJVFFIESA-N 2 2 332.492 3.161 20 0 EGADLP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752330193 1440171176 /nfs/dbraw/zinc/17/11/76/1440171176.db2.gz GTOLHLFIXLWRLF-WIJVFFIESA-N 2 2 332.492 3.161 20 0 EGADLP CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706118 1440202560 /nfs/dbraw/zinc/20/25/60/1440202560.db2.gz DMSHRADNOIALPM-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706118 1440202561 /nfs/dbraw/zinc/20/25/61/1440202561.db2.gz DMSHRADNOIALPM-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972045 1440255311 /nfs/dbraw/zinc/25/53/11/1440255311.db2.gz SPKCUHBSTMWZDF-ROUUACIJSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972045 1440255312 /nfs/dbraw/zinc/25/53/12/1440255312.db2.gz SPKCUHBSTMWZDF-ROUUACIJSA-N 2 2 346.519 3.330 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001753213860 1440339461 /nfs/dbraw/zinc/33/94/61/1440339461.db2.gz ITFWGQVUHZUCPA-INIZCTEOSA-N 2 2 325.456 3.430 20 0 EGADLP CC(C)[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001753294826 1440351903 /nfs/dbraw/zinc/35/19/03/1440351903.db2.gz WASJXUCAGFEDBW-IBGZPJMESA-N 2 2 342.487 3.252 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](CCC)C1 ZINC001753319047 1440361915 /nfs/dbraw/zinc/36/19/15/1440361915.db2.gz WMUVFEWUXXJVAV-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](CCC)C1 ZINC001753319047 1440361916 /nfs/dbraw/zinc/36/19/16/1440361916.db2.gz WMUVFEWUXXJVAV-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753335633 1440372098 /nfs/dbraw/zinc/37/20/98/1440372098.db2.gz WMMXZSMWGXXZSN-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CCCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001753335633 1440372099 /nfs/dbraw/zinc/37/20/99/1440372099.db2.gz WMMXZSMWGXXZSN-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366940 1440385753 /nfs/dbraw/zinc/38/57/53/1440385753.db2.gz QFMJXWLCZWLODZ-RTRPANQVSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366940 1440385754 /nfs/dbraw/zinc/38/57/54/1440385754.db2.gz QFMJXWLCZWLODZ-RTRPANQVSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366940 1440385755 /nfs/dbraw/zinc/38/57/55/1440385755.db2.gz QFMJXWLCZWLODZ-RTRPANQVSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366940 1440385756 /nfs/dbraw/zinc/38/57/56/1440385756.db2.gz QFMJXWLCZWLODZ-RTRPANQVSA-N 2 2 346.519 3.115 20 0 EGADLP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001753366993 1440385909 /nfs/dbraw/zinc/38/59/09/1440385909.db2.gz RZYINXNENYJNCZ-SJORKVTESA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001753366993 1440385910 /nfs/dbraw/zinc/38/59/10/1440385910.db2.gz RZYINXNENYJNCZ-SJORKVTESA-N 2 2 334.508 3.051 20 0 EGADLP CCCCC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001753505455 1440424385 /nfs/dbraw/zinc/42/43/85/1440424385.db2.gz IGDVCYVRMQJXGL-UHFFFAOYSA-N 2 2 328.460 3.385 20 0 EGADLP CC(C)=CC[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001753518102 1440427922 /nfs/dbraw/zinc/42/79/22/1440427922.db2.gz BDTXNXTVCWEUNF-FQEVSTJZSA-N 2 2 340.471 3.097 20 0 EGADLP CCCC[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753596007 1440444640 /nfs/dbraw/zinc/44/46/40/1440444640.db2.gz QPTGXFSOVRPOHU-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753824316 1440497717 /nfs/dbraw/zinc/49/77/17/1440497717.db2.gz ZKGURWZWJSZSTN-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753824316 1440497718 /nfs/dbraw/zinc/49/77/18/1440497718.db2.gz ZKGURWZWJSZSTN-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001753976258 1440527502 /nfs/dbraw/zinc/52/75/02/1440527502.db2.gz VSHASKQIHOXXSW-LBPRGKRZSA-N 2 2 342.468 3.231 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cccc(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001754048272 1440535543 /nfs/dbraw/zinc/53/55/43/1440535543.db2.gz KBMSOGKKCFESQU-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cccc(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001754048272 1440535544 /nfs/dbraw/zinc/53/55/44/1440535544.db2.gz KBMSOGKKCFESQU-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754234271 1440554483 /nfs/dbraw/zinc/55/44/83/1440554483.db2.gz RTKJNZPFZRUDIL-OAHLLOKOSA-N 2 2 328.460 3.013 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001754650878 1440651928 /nfs/dbraw/zinc/65/19/28/1440651928.db2.gz RPOKTPILAGFSRU-LJQANCHMSA-N 2 2 344.503 3.107 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001754650878 1440651929 /nfs/dbraw/zinc/65/19/29/1440651929.db2.gz RPOKTPILAGFSRU-LJQANCHMSA-N 2 2 344.503 3.107 20 0 EGADLP CC1(CNC(=O)Cc2[nH]cc[nH+]2)CC[NH+](CCCC2CCCC2)CC1 ZINC001754721022 1440673229 /nfs/dbraw/zinc/67/32/29/1440673229.db2.gz YXNVNSMZIZNYEL-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754794351 1440689249 /nfs/dbraw/zinc/68/92/49/1440689249.db2.gz AOJGCSLXNPSDNS-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754794351 1440689250 /nfs/dbraw/zinc/68/92/50/1440689250.db2.gz AOJGCSLXNPSDNS-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1([NH2+]CC2CCCCCC2)CCC1 ZINC001754993490 1440725298 /nfs/dbraw/zinc/72/52/98/1440725298.db2.gz QTEQBDXWAJUXHK-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363493 1440833099 /nfs/dbraw/zinc/83/30/99/1440833099.db2.gz JPKSNUMARVKDDB-PKOBYXMFSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363493 1440833100 /nfs/dbraw/zinc/83/31/00/1440833100.db2.gz JPKSNUMARVKDDB-PKOBYXMFSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363493 1440833101 /nfs/dbraw/zinc/83/31/01/1440833101.db2.gz JPKSNUMARVKDDB-PKOBYXMFSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363493 1440833102 /nfs/dbraw/zinc/83/31/02/1440833102.db2.gz JPKSNUMARVKDDB-PKOBYXMFSA-N 2 2 348.535 3.385 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001755521811 1440865075 /nfs/dbraw/zinc/86/50/75/1440865075.db2.gz JMDBWXRGHJENML-KBPBESRZSA-N 2 2 346.450 3.035 20 0 EGADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCCCCC1 ZINC001755552740 1440872576 /nfs/dbraw/zinc/87/25/76/1440872576.db2.gz YRFYWKXKSOQXED-LJQANCHMSA-N 2 2 348.535 3.054 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755562061 1440874723 /nfs/dbraw/zinc/87/47/23/1440874723.db2.gz GJXXTVUOKXPFRQ-KDOFPFPSSA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001755610824 1440887083 /nfs/dbraw/zinc/88/70/83/1440887083.db2.gz JFDINYPRWDGGEL-CJNGLKHVSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755826522 1440927534 /nfs/dbraw/zinc/92/75/34/1440927534.db2.gz RVVLYJXJXKXSJT-QGZVFWFLSA-N 2 2 328.460 3.097 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)n1cc[nH+]c1 ZINC001755833977 1440929518 /nfs/dbraw/zinc/92/95/18/1440929518.db2.gz TWBPHGUDIBYKEQ-AEFFLSMTSA-N 2 2 346.519 3.455 20 0 EGADLP Cc1cc[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164702205 719885515 /nfs/dbraw/zinc/88/55/15/719885515.db2.gz PADUURBMIGEHII-UHFFFAOYSA-N 2 2 343.496 3.323 20 0 EGADLP Cc1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164702205 719885516 /nfs/dbraw/zinc/88/55/16/719885516.db2.gz PADUURBMIGEHII-UHFFFAOYSA-N 2 2 343.496 3.323 20 0 EGADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(C)c(C)[nH+]1 ZINC001164864717 721011880 /nfs/dbraw/zinc/01/18/80/721011880.db2.gz ZCCNJMFTCOBVRD-OAHLLOKOSA-N 2 2 342.491 3.020 20 0 EGADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(C)c(C)[nH+]1 ZINC001164864717 721011886 /nfs/dbraw/zinc/01/18/86/721011886.db2.gz ZCCNJMFTCOBVRD-OAHLLOKOSA-N 2 2 342.491 3.020 20 0 EGADLP CCCOc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368132808 168315543 /nfs/dbraw/zinc/31/55/43/168315543.db2.gz HCOZKOFBBPZUOG-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP CCCOc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368132808 168315545 /nfs/dbraw/zinc/31/55/45/168315545.db2.gz HCOZKOFBBPZUOG-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000053203960 214170088 /nfs/dbraw/zinc/17/00/88/214170088.db2.gz PVSWOJFYJKIKKW-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000053203960 214170090 /nfs/dbraw/zinc/17/00/90/214170090.db2.gz PVSWOJFYJKIKKW-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173948152 231076998 /nfs/dbraw/zinc/07/69/98/231076998.db2.gz VOFHAQMENDHZBL-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173948152 231077001 /nfs/dbraw/zinc/07/70/01/231077001.db2.gz VOFHAQMENDHZBL-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173948152 231077004 /nfs/dbraw/zinc/07/70/04/231077004.db2.gz VOFHAQMENDHZBL-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173948152 231077006 /nfs/dbraw/zinc/07/70/06/231077006.db2.gz VOFHAQMENDHZBL-HIFRSBDPSA-N 2 2 339.430 3.098 20 0 EGADLP Cc1cc(NCCC[NH+]2CCC(C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000057825755 214455394 /nfs/dbraw/zinc/45/53/94/214455394.db2.gz GBEOVYMMQRMFMU-UHFFFAOYSA-N 2 2 325.460 3.381 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cscc2Br)C1 ZINC000520459629 548023355 /nfs/dbraw/zinc/02/33/55/548023355.db2.gz AESXPQLTAQLMFP-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000178657601 232348838 /nfs/dbraw/zinc/34/88/38/232348838.db2.gz JFEMNRBQXFLKNF-KRWDZBQOSA-N 2 2 348.450 3.271 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1OCc1cccnc1)Cn1cc[nH+]c1 ZINC000067500461 215154388 /nfs/dbraw/zinc/15/43/88/215154388.db2.gz LSJHDKSSYIJBLG-QGZVFWFLSA-N 2 2 336.439 3.283 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000192437486 290939573 /nfs/dbraw/zinc/93/95/73/290939573.db2.gz XODOUKATKMUYER-ACBHZAAOSA-N 2 2 330.472 3.145 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(F)(F)[C@H](C)C3)sc2C1 ZINC000356268161 535250356 /nfs/dbraw/zinc/25/03/56/535250356.db2.gz XVYSXZIHMXAUMZ-GFCCVEGCSA-N 2 2 329.460 3.387 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(F)(F)[C@H](C)C3)sc2C1 ZINC000356268161 535250361 /nfs/dbraw/zinc/25/03/61/535250361.db2.gz XVYSXZIHMXAUMZ-GFCCVEGCSA-N 2 2 329.460 3.387 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC(F)(F)[C@H](C)C3)sc2C1 ZINC000356268161 535250366 /nfs/dbraw/zinc/25/03/66/535250366.db2.gz XVYSXZIHMXAUMZ-GFCCVEGCSA-N 2 2 329.460 3.387 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC(F)(F)[C@H](C)C3)sc2C1 ZINC000356268161 535250373 /nfs/dbraw/zinc/25/03/73/535250373.db2.gz XVYSXZIHMXAUMZ-GFCCVEGCSA-N 2 2 329.460 3.387 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000186903860 236059216 /nfs/dbraw/zinc/05/92/16/236059216.db2.gz MOAPITHYLWZQTM-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000186903860 236059217 /nfs/dbraw/zinc/05/92/17/236059217.db2.gz MOAPITHYLWZQTM-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000186903860 236059218 /nfs/dbraw/zinc/05/92/18/236059218.db2.gz MOAPITHYLWZQTM-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000186903860 236059219 /nfs/dbraw/zinc/05/92/19/236059219.db2.gz MOAPITHYLWZQTM-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000034996630 213003523 /nfs/dbraw/zinc/00/35/23/213003523.db2.gz CBXOCYZVBXJUKJ-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719221 216299229 /nfs/dbraw/zinc/29/92/29/216299229.db2.gz ZIXXPANXIJUBEW-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719221 216299230 /nfs/dbraw/zinc/29/92/30/216299230.db2.gz ZIXXPANXIJUBEW-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231670727 242269835 /nfs/dbraw/zinc/26/98/35/242269835.db2.gz FYQMFDSIBMPUMA-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231670727 242269841 /nfs/dbraw/zinc/26/98/41/242269841.db2.gz FYQMFDSIBMPUMA-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP c1cn(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)c[nH+]1 ZINC000111243989 220121535 /nfs/dbraw/zinc/12/15/35/220121535.db2.gz XELJXRVXARDQOX-UHFFFAOYSA-N 2 2 325.441 3.239 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000377562296 169042568 /nfs/dbraw/zinc/04/25/68/169042568.db2.gz KLRYXLGPYHXAEZ-AWEZNQCLSA-N 2 2 333.819 3.145 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000377562296 169042569 /nfs/dbraw/zinc/04/25/69/169042569.db2.gz KLRYXLGPYHXAEZ-AWEZNQCLSA-N 2 2 333.819 3.145 20 0 EGADLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C)o1 ZINC000378494720 169130326 /nfs/dbraw/zinc/13/03/26/169130326.db2.gz JQXTZIVFHCOPKW-LJQANCHMSA-N 2 2 343.471 3.315 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000091629010 218035462 /nfs/dbraw/zinc/03/54/62/218035462.db2.gz QDBRZUNNRKRGCC-AEGPPILISA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000091629010 218035465 /nfs/dbraw/zinc/03/54/65/218035465.db2.gz QDBRZUNNRKRGCC-AEGPPILISA-N 2 2 331.416 3.215 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043342 218109188 /nfs/dbraw/zinc/10/91/88/218109188.db2.gz OMTQVUOBPUPGLT-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043342 218109191 /nfs/dbraw/zinc/10/91/91/218109191.db2.gz OMTQVUOBPUPGLT-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043342 218109193 /nfs/dbraw/zinc/10/91/93/218109193.db2.gz OMTQVUOBPUPGLT-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043342 218109196 /nfs/dbraw/zinc/10/91/96/218109196.db2.gz OMTQVUOBPUPGLT-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP C[N@@H+](Cc1ccccc1OCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253801 218130821 /nfs/dbraw/zinc/13/08/21/218130821.db2.gz PUXGDYGPBGQLIS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccccc1OCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253801 218130824 /nfs/dbraw/zinc/13/08/24/218130824.db2.gz PUXGDYGPBGQLIS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253801 218130825 /nfs/dbraw/zinc/13/08/25/218130825.db2.gz PUXGDYGPBGQLIS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253801 218130827 /nfs/dbraw/zinc/13/08/27/218130827.db2.gz PUXGDYGPBGQLIS-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[N@@H+](Cc1ccccc1OCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253802 218131012 /nfs/dbraw/zinc/13/10/12/218131012.db2.gz PUXGDYGPBGQLIS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccccc1OCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253802 218131014 /nfs/dbraw/zinc/13/10/14/218131014.db2.gz PUXGDYGPBGQLIS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253802 218131017 /nfs/dbraw/zinc/13/10/17/218131017.db2.gz PUXGDYGPBGQLIS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253802 218131019 /nfs/dbraw/zinc/13/10/19/218131019.db2.gz PUXGDYGPBGQLIS-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000093683764 218242532 /nfs/dbraw/zinc/24/25/32/218242532.db2.gz BICGHPAWLRBSDP-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000093683764 218242533 /nfs/dbraw/zinc/24/25/33/218242533.db2.gz BICGHPAWLRBSDP-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742220 218245360 /nfs/dbraw/zinc/24/53/60/218245360.db2.gz ZFQNHKHBZBYCMQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742220 218245363 /nfs/dbraw/zinc/24/53/63/218245363.db2.gz ZFQNHKHBZBYCMQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742220 218245365 /nfs/dbraw/zinc/24/53/65/218245365.db2.gz ZFQNHKHBZBYCMQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093742220 218245369 /nfs/dbraw/zinc/24/53/69/218245369.db2.gz ZFQNHKHBZBYCMQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093769999 218246691 /nfs/dbraw/zinc/24/66/91/218246691.db2.gz QDXXDDKFUGCTFC-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093769999 218246694 /nfs/dbraw/zinc/24/66/94/218246694.db2.gz QDXXDDKFUGCTFC-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093769999 218246696 /nfs/dbraw/zinc/24/66/96/218246696.db2.gz QDXXDDKFUGCTFC-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093769999 218246699 /nfs/dbraw/zinc/24/66/99/218246699.db2.gz QDXXDDKFUGCTFC-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)nnn1-c1ccc(F)cc1 ZINC000268743448 252194273 /nfs/dbraw/zinc/19/42/73/252194273.db2.gz DUSAYULYUSAOSX-AWEZNQCLSA-N 2 2 333.455 3.096 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)nnn1-c1ccc(F)cc1 ZINC000268743448 252194278 /nfs/dbraw/zinc/19/42/78/252194278.db2.gz DUSAYULYUSAOSX-AWEZNQCLSA-N 2 2 333.455 3.096 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000268749212 252200444 /nfs/dbraw/zinc/20/04/44/252200444.db2.gz UIMQIILNBIHDND-UHFFFAOYSA-N 3 2 329.532 3.159 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1OC(F)(F)F ZINC000268808787 252260846 /nfs/dbraw/zinc/26/08/46/252260846.db2.gz DGXWRYAZXHSNHH-ZDUSSCGKSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)o1 ZINC000268808893 252261356 /nfs/dbraw/zinc/26/13/56/252261356.db2.gz DLXUTYCFKZEWPY-MRXNPFEDSA-N 2 2 328.456 3.444 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268831488 252280668 /nfs/dbraw/zinc/28/06/68/252280668.db2.gz KLXVJIHYIKBNLQ-AWEZNQCLSA-N 2 2 340.895 3.236 20 0 EGADLP CCn1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cn1 ZINC000153717697 224146957 /nfs/dbraw/zinc/14/69/57/224146957.db2.gz AUEMLIKNSWZFJN-ZDUSSCGKSA-N 2 2 327.407 3.387 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC)c(F)c2)CC1 ZINC000154840301 224315181 /nfs/dbraw/zinc/31/51/81/224315181.db2.gz UQGHMUZJCANXML-CYBMUJFWSA-N 2 2 326.481 3.309 20 0 EGADLP C[N@H+](Cc1ccccc1NC(=O)NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000119546344 221345584 /nfs/dbraw/zinc/34/55/84/221345584.db2.gz WCYHQBSQSHRKEK-UHFFFAOYSA-N 2 2 341.459 3.496 20 0 EGADLP C[N@@H+](Cc1ccccc1NC(=O)NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000119546344 221345585 /nfs/dbraw/zinc/34/55/85/221345585.db2.gz WCYHQBSQSHRKEK-UHFFFAOYSA-N 2 2 341.459 3.496 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000240333275 258001013 /nfs/dbraw/zinc/00/10/13/258001013.db2.gz FCQHFMSZZBIJBQ-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000240333275 258001015 /nfs/dbraw/zinc/00/10/15/258001015.db2.gz FCQHFMSZZBIJBQ-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000240333275 258001016 /nfs/dbraw/zinc/00/10/16/258001016.db2.gz FCQHFMSZZBIJBQ-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000240333275 258001018 /nfs/dbraw/zinc/00/10/18/258001018.db2.gz FCQHFMSZZBIJBQ-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCN2CCCCC2=O)C[N@@H+]1Cc1ccccc1 ZINC000677805108 549334399 /nfs/dbraw/zinc/33/43/99/549334399.db2.gz KLYPZUSBWDDINO-LJQANCHMSA-N 2 2 343.515 3.032 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCN2CCCCC2=O)C[N@H+]1Cc1ccccc1 ZINC000677805108 549334400 /nfs/dbraw/zinc/33/44/00/549334400.db2.gz KLYPZUSBWDDINO-LJQANCHMSA-N 2 2 343.515 3.032 20 0 EGADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246914314 141043619 /nfs/dbraw/zinc/04/36/19/141043619.db2.gz GJUNSZMGMAOSSB-TXPKVOOTSA-N 2 2 329.488 3.193 20 0 EGADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000246914314 141043620 /nfs/dbraw/zinc/04/36/20/141043620.db2.gz GJUNSZMGMAOSSB-TXPKVOOTSA-N 2 2 329.488 3.193 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[NH+](CCc4ccccc4)CC3)cn2c1 ZINC000338376849 141111423 /nfs/dbraw/zinc/11/14/23/141111423.db2.gz ZTLLVCHNXDDTIQ-UHFFFAOYSA-N 2 2 334.467 3.003 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCN([C@H](C)c3ccccc3)C1)CCC2 ZINC000344511984 141166969 /nfs/dbraw/zinc/16/69/69/141166969.db2.gz JRZDUPIRFMTIKQ-HOJAQTOUSA-N 2 2 338.499 3.494 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000344548940 141172137 /nfs/dbraw/zinc/17/21/37/141172137.db2.gz OFMRUJZZHYBQGZ-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344548940 141172139 /nfs/dbraw/zinc/17/21/39/141172139.db2.gz OFMRUJZZHYBQGZ-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912155 141215545 /nfs/dbraw/zinc/21/55/45/141215545.db2.gz MDQZQYFLUJJLJF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912155 141215546 /nfs/dbraw/zinc/21/55/46/141215546.db2.gz MDQZQYFLUJJLJF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912155 141215547 /nfs/dbraw/zinc/21/55/47/141215547.db2.gz MDQZQYFLUJJLJF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cscc3Br)CC[C@@H]21 ZINC000347912155 141215548 /nfs/dbraw/zinc/21/55/48/141215548.db2.gz MDQZQYFLUJJLJF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974587 141226594 /nfs/dbraw/zinc/22/65/94/141226594.db2.gz QRQHCQJHHZAIIC-CQSZACIVSA-N 2 2 331.287 3.272 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974587 141226596 /nfs/dbraw/zinc/22/65/96/141226596.db2.gz QRQHCQJHHZAIIC-CQSZACIVSA-N 2 2 331.287 3.272 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974587 141226598 /nfs/dbraw/zinc/22/65/98/141226598.db2.gz QRQHCQJHHZAIIC-CQSZACIVSA-N 2 2 331.287 3.272 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347974587 141226601 /nfs/dbraw/zinc/22/66/01/141226601.db2.gz QRQHCQJHHZAIIC-CQSZACIVSA-N 2 2 331.287 3.272 20 0 EGADLP CN(C)c1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc[nH+]1 ZINC000359651897 141398618 /nfs/dbraw/zinc/39/86/18/141398618.db2.gz RDJTYYMZEFDZAY-INIZCTEOSA-N 2 2 332.835 3.042 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]2CCO[C@@H]21 ZINC000677806917 549334721 /nfs/dbraw/zinc/33/47/21/549334721.db2.gz UNLAMKQOCRBTPL-OKYOBFRVSA-N 2 2 328.500 3.443 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]2CCO[C@@H]21 ZINC000677806917 549334725 /nfs/dbraw/zinc/33/47/25/549334725.db2.gz UNLAMKQOCRBTPL-OKYOBFRVSA-N 2 2 328.500 3.443 20 0 EGADLP Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000172223119 144018065 /nfs/dbraw/zinc/01/80/65/144018065.db2.gz JRILKHRRFFDQJV-MRXNPFEDSA-N 2 2 339.439 3.206 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)cn1 ZINC000178412605 144070841 /nfs/dbraw/zinc/07/08/41/144070841.db2.gz VONANXNVBBIINV-AWEZNQCLSA-N 2 2 334.423 3.361 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000178419986 144070865 /nfs/dbraw/zinc/07/08/65/144070865.db2.gz CNKUJGSBVPRMRI-OCCSQVGLSA-N 2 2 333.423 3.135 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000178419986 144070866 /nfs/dbraw/zinc/07/08/66/144070866.db2.gz CNKUJGSBVPRMRI-OCCSQVGLSA-N 2 2 333.423 3.135 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000178450967 144071457 /nfs/dbraw/zinc/07/14/57/144071457.db2.gz LRQLKFODXOQEKL-NQIIRXRSSA-N 2 2 339.483 3.351 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000178450967 144071458 /nfs/dbraw/zinc/07/14/58/144071458.db2.gz LRQLKFODXOQEKL-NQIIRXRSSA-N 2 2 339.483 3.351 20 0 EGADLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000187797404 144164471 /nfs/dbraw/zinc/16/44/71/144164471.db2.gz QXELBYCGJYQQEA-OAHLLOKOSA-N 2 2 328.435 3.239 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680932 144209381 /nfs/dbraw/zinc/20/93/81/144209381.db2.gz QRCSJXMHWNBKSE-HNAYVOBHSA-N 2 2 327.472 3.334 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680932 144209382 /nfs/dbraw/zinc/20/93/82/144209382.db2.gz QRCSJXMHWNBKSE-HNAYVOBHSA-N 2 2 327.472 3.334 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@@H+]1C ZINC000344688506 144209710 /nfs/dbraw/zinc/20/97/10/144209710.db2.gz UIHFDPWKYHGTLL-WMZOPIPTSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000344688506 144209711 /nfs/dbraw/zinc/20/97/11/144209711.db2.gz UIHFDPWKYHGTLL-WMZOPIPTSA-N 2 2 325.456 3.233 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379506 144262592 /nfs/dbraw/zinc/26/25/92/144262592.db2.gz COFPQCXIRQTVBL-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379506 144262593 /nfs/dbraw/zinc/26/25/93/144262593.db2.gz COFPQCXIRQTVBL-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379506 144262594 /nfs/dbraw/zinc/26/25/94/144262594.db2.gz COFPQCXIRQTVBL-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000351379506 144262595 /nfs/dbraw/zinc/26/25/95/144262595.db2.gz COFPQCXIRQTVBL-UNMCSNQZSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572582 144281658 /nfs/dbraw/zinc/28/16/58/144281658.db2.gz FIRNLMDVFKKLSI-NQIIRXRSSA-N 2 2 342.458 3.154 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572582 144281659 /nfs/dbraw/zinc/28/16/59/144281659.db2.gz FIRNLMDVFKKLSI-NQIIRXRSSA-N 2 2 342.458 3.154 20 0 EGADLP CCOCc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341439927 155292857 /nfs/dbraw/zinc/29/28/57/155292857.db2.gz JFINDNXTPAQLIN-UHFFFAOYSA-N 2 2 339.483 3.372 20 0 EGADLP CC(C)=CCC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000341472157 155310484 /nfs/dbraw/zinc/31/04/84/155310484.db2.gz AEXIXSDLSRWEIQ-LJQANCHMSA-N 3 2 330.520 3.318 20 0 EGADLP Cc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000115359089 152007658 /nfs/dbraw/zinc/00/76/58/152007658.db2.gz QPWBZVFMLCRYSM-KRWDZBQOSA-N 2 2 339.439 3.349 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000117383479 152096396 /nfs/dbraw/zinc/09/63/96/152096396.db2.gz XNRNFNKPFXWCNM-HOTGVXAUSA-N 2 2 345.512 3.351 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCc3cc4ccccc4[nH]3)c12 ZINC000119169242 152181178 /nfs/dbraw/zinc/18/11/78/152181178.db2.gz QCNGGZJTYWHEJN-UHFFFAOYSA-N 2 2 341.378 3.304 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]Cc3cccc4cccnc43)CC2)c1 ZINC000120543818 152284135 /nfs/dbraw/zinc/28/41/35/152284135.db2.gz PUSOTVMUPGTBTG-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)c2)c[nH+]1 ZINC000121170908 152330864 /nfs/dbraw/zinc/33/08/64/152330864.db2.gz GWFBSCIHYWUWDR-ZCNNSNEGSA-N 2 2 337.467 3.369 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121324454 152343099 /nfs/dbraw/zinc/34/30/99/152343099.db2.gz ULBFZVREJFROIF-ZCNNSNEGSA-N 2 2 344.474 3.337 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000341552671 155350552 /nfs/dbraw/zinc/35/05/52/155350552.db2.gz VMDDJCZRERKTIE-UHFFFAOYSA-N 2 2 349.438 3.460 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000191957797 153235589 /nfs/dbraw/zinc/23/55/89/153235589.db2.gz VKGDVXGSCLWYAK-UHFFFAOYSA-N 3 2 326.488 3.344 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCC2 ZINC000376847301 286382944 /nfs/dbraw/zinc/38/29/44/286382944.db2.gz VXWIDSKEGNNPDJ-LSDHHAIUSA-N 2 2 334.426 3.341 20 0 EGADLP OCCC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000305179237 154089837 /nfs/dbraw/zinc/08/98/37/154089837.db2.gz VWZWBTKMZSNDFC-NRFANRHFSA-N 2 2 339.483 3.149 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc(C(F)(F)F)c1 ZINC000320527630 154164322 /nfs/dbraw/zinc/16/43/22/154164322.db2.gz BRZLMBNLWXAAOZ-NSHDSACASA-N 2 2 326.366 3.356 20 0 EGADLP COc1cc(OC)c(C[N@H+](CCC[NH3+])Cc2ccccc2)c(OC)c1 ZINC000336783316 154212143 /nfs/dbraw/zinc/21/21/43/154212143.db2.gz BPIXGBRLDIEAIH-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP COc1cc(OC)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(OC)c1 ZINC000336783316 154212145 /nfs/dbraw/zinc/21/21/45/154212145.db2.gz BPIXGBRLDIEAIH-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)cc1Br ZINC000336814987 154213603 /nfs/dbraw/zinc/21/36/03/154213603.db2.gz YMOIDUOBPSQFHK-UHFFFAOYSA-N 2 2 329.282 3.279 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)CC2 ZINC000338167869 154613217 /nfs/dbraw/zinc/61/32/17/154613217.db2.gz CQTMAZZIRJATCX-GOSISDBHSA-N 2 2 346.515 3.032 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000339907039 155027547 /nfs/dbraw/zinc/02/75/47/155027547.db2.gz UXYYPQHWQIQGTO-NSHDSACASA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000339907039 155027551 /nfs/dbraw/zinc/02/75/51/155027551.db2.gz UXYYPQHWQIQGTO-NSHDSACASA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000339911665 155029361 /nfs/dbraw/zinc/02/93/61/155029361.db2.gz YNRXNBWBRIMMSC-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000339911665 155029365 /nfs/dbraw/zinc/02/93/65/155029365.db2.gz YNRXNBWBRIMMSC-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C[NH3+])C1 ZINC000346837609 156159170 /nfs/dbraw/zinc/15/91/70/156159170.db2.gz WPWPIFCBNYMLAF-ROUUACIJSA-N 2 2 341.455 3.120 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@H](C[NH3+])C1 ZINC000346837609 156159175 /nfs/dbraw/zinc/15/91/75/156159175.db2.gz WPWPIFCBNYMLAF-ROUUACIJSA-N 2 2 341.455 3.120 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000346875616 156174826 /nfs/dbraw/zinc/17/48/26/156174826.db2.gz LMFBEOSBKSUKHM-SFHVURJKSA-N 2 2 326.444 3.169 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000349070769 156342379 /nfs/dbraw/zinc/34/23/79/156342379.db2.gz DGTPPRGXQIWQGA-UHFFFAOYSA-N 2 2 338.455 3.338 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631429 157198601 /nfs/dbraw/zinc/19/86/01/157198601.db2.gz QUZMCSPHEVABFK-SFHVURJKSA-N 2 2 341.455 3.365 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631429 157198605 /nfs/dbraw/zinc/19/86/05/157198605.db2.gz QUZMCSPHEVABFK-SFHVURJKSA-N 2 2 341.455 3.365 20 0 EGADLP Cc1oncc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000372595447 157363527 /nfs/dbraw/zinc/36/35/27/157363527.db2.gz AGBVVXYLACTURJ-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1oncc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000372595447 157363532 /nfs/dbraw/zinc/36/35/32/157363532.db2.gz AGBVVXYLACTURJ-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000372595447 157363534 /nfs/dbraw/zinc/36/35/34/157363534.db2.gz AGBVVXYLACTURJ-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000372595447 157363537 /nfs/dbraw/zinc/36/35/37/157363537.db2.gz AGBVVXYLACTURJ-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770248 162025332 /nfs/dbraw/zinc/02/53/32/162025332.db2.gz QTRAUUXMNQBLRT-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770248 162025334 /nfs/dbraw/zinc/02/53/34/162025334.db2.gz QTRAUUXMNQBLRT-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770248 162025338 /nfs/dbraw/zinc/02/53/38/162025338.db2.gz QTRAUUXMNQBLRT-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000093770248 162025340 /nfs/dbraw/zinc/02/53/40/162025340.db2.gz QTRAUUXMNQBLRT-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770279 162026272 /nfs/dbraw/zinc/02/62/72/162026272.db2.gz ICVWTIGTANCDTJ-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770279 162026275 /nfs/dbraw/zinc/02/62/75/162026275.db2.gz ICVWTIGTANCDTJ-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770279 162026278 /nfs/dbraw/zinc/02/62/78/162026278.db2.gz ICVWTIGTANCDTJ-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093770279 162026281 /nfs/dbraw/zinc/02/62/81/162026281.db2.gz ICVWTIGTANCDTJ-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000110355180 162124826 /nfs/dbraw/zinc/12/48/26/162124826.db2.gz XDKALPDVTJLBTL-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112632301 162184076 /nfs/dbraw/zinc/18/40/76/162184076.db2.gz WRMVAJXTYGJCOR-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112632301 162184079 /nfs/dbraw/zinc/18/40/79/162184079.db2.gz WRMVAJXTYGJCOR-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125331601 162269653 /nfs/dbraw/zinc/26/96/53/162269653.db2.gz JASYFEVXLWVGBS-PXNSSMCTSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125331601 162269656 /nfs/dbraw/zinc/26/96/56/162269656.db2.gz JASYFEVXLWVGBS-PXNSSMCTSA-N 2 2 331.504 3.231 20 0 EGADLP Fc1cc(F)cc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000130403480 162366313 /nfs/dbraw/zinc/36/63/13/162366313.db2.gz YIRMPKHIQRIEBU-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP c1c[nH+]c([C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000248835782 163038154 /nfs/dbraw/zinc/03/81/54/163038154.db2.gz GRXYFDACPIIDAW-UYAOXDASSA-N 2 2 347.466 3.006 20 0 EGADLP c1c[nH+]c([C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000248835782 163038156 /nfs/dbraw/zinc/03/81/56/163038156.db2.gz GRXYFDACPIIDAW-UYAOXDASSA-N 2 2 347.466 3.006 20 0 EGADLP C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248954723 163048170 /nfs/dbraw/zinc/04/81/70/163048170.db2.gz FSUCSSSLHQWMQR-BFYDXBDKSA-N 2 2 343.479 3.019 20 0 EGADLP C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248954723 163048174 /nfs/dbraw/zinc/04/81/74/163048174.db2.gz FSUCSSSLHQWMQR-BFYDXBDKSA-N 2 2 343.479 3.019 20 0 EGADLP c1ccc2nc(N3CCCCC3)c(C[NH2+]CC[NH+]3CCCC3)cc2c1 ZINC000337276572 163191948 /nfs/dbraw/zinc/19/19/48/163191948.db2.gz FEEPEBORCVIBBA-UHFFFAOYSA-N 2 2 338.499 3.411 20 0 EGADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)CC2CCC2)c(OC)c1 ZINC000338329504 163212839 /nfs/dbraw/zinc/21/28/39/163212839.db2.gz XSKJGPQOSKPFMO-UHFFFAOYSA-N 2 2 329.444 3.203 20 0 EGADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)CC2CCC2)c(OC)c1 ZINC000338329504 163212841 /nfs/dbraw/zinc/21/28/41/163212841.db2.gz XSKJGPQOSKPFMO-UHFFFAOYSA-N 2 2 329.444 3.203 20 0 EGADLP CO[C@H](C[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569002 163276366 /nfs/dbraw/zinc/27/63/66/163276366.db2.gz RWJXBQHKNFEARF-NJDAHSKKSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569002 163276368 /nfs/dbraw/zinc/27/63/68/163276368.db2.gz RWJXBQHKNFEARF-NJDAHSKKSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569002 163276370 /nfs/dbraw/zinc/27/63/70/163276370.db2.gz RWJXBQHKNFEARF-NJDAHSKKSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)c1ccccc1 ZINC000338569002 163276373 /nfs/dbraw/zinc/27/63/73/163276373.db2.gz RWJXBQHKNFEARF-NJDAHSKKSA-N 2 2 339.483 3.394 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000338689120 163318872 /nfs/dbraw/zinc/31/88/72/163318872.db2.gz RBWRSEKIUJXSKX-RTBURBONSA-N 2 2 330.472 3.244 20 0 EGADLP Cc1ccc(CCC[NH2+]CCc2cc(F)cc3c2OCOC3)c[nH+]1 ZINC000354354910 166008160 /nfs/dbraw/zinc/00/81/60/166008160.db2.gz ZFGRQTKOQKWVHJ-UHFFFAOYSA-N 2 2 330.403 3.161 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccncc2OCC(F)(F)F)c[nH+]1 ZINC000343639668 164000645 /nfs/dbraw/zinc/00/06/45/164000645.db2.gz OHUOIFDATYICON-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP Cc1nn2c(C[NH2+]C3CC[NH+](C4CCC4)CC3)c(C(C)C)nc2s1 ZINC000343738547 164023382 /nfs/dbraw/zinc/02/33/82/164023382.db2.gz KVEAIGJAGKZQBY-UHFFFAOYSA-N 2 2 347.532 3.329 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000344162563 164117574 /nfs/dbraw/zinc/11/75/74/164117574.db2.gz AGOYCZGMGBOZAC-KRWDZBQOSA-N 2 2 342.487 3.421 20 0 EGADLP O[C@]1(C[NH2+]Cc2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000344533151 164187802 /nfs/dbraw/zinc/18/78/02/164187802.db2.gz OCGNZJSVJYRJRA-IBGZPJMESA-N 2 2 330.859 3.067 20 0 EGADLP O[C@]1(C[NH2+]Cc2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344533151 164187804 /nfs/dbraw/zinc/18/78/04/164187804.db2.gz OCGNZJSVJYRJRA-IBGZPJMESA-N 2 2 330.859 3.067 20 0 EGADLP CC[C@H](C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)[NH+](CC)CC ZINC000345632994 164231124 /nfs/dbraw/zinc/23/11/24/164231124.db2.gz MUAVUNAQTQFYAM-GOSISDBHSA-N 2 2 342.487 3.010 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccsc1 ZINC000346150534 164350106 /nfs/dbraw/zinc/35/01/06/164350106.db2.gz NRRBKDNUUUSVPZ-ZBFHGGJFSA-N 2 2 346.500 3.090 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccsc1 ZINC000346150534 164350109 /nfs/dbraw/zinc/35/01/09/164350109.db2.gz NRRBKDNUUUSVPZ-ZBFHGGJFSA-N 2 2 346.500 3.090 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)CCc3ccccc3O)sc2C1 ZINC000346371907 164376273 /nfs/dbraw/zinc/37/62/73/164376273.db2.gz LZRLIHQDFTVNFR-UHFFFAOYSA-N 2 2 345.512 3.290 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)CCc3ccccc3O)sc2C1 ZINC000346371907 164376275 /nfs/dbraw/zinc/37/62/75/164376275.db2.gz LZRLIHQDFTVNFR-UHFFFAOYSA-N 2 2 345.512 3.290 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)CCc3ccccc3O)sc2C1 ZINC000346371907 164376276 /nfs/dbraw/zinc/37/62/76/164376276.db2.gz LZRLIHQDFTVNFR-UHFFFAOYSA-N 2 2 345.512 3.290 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)CCc3ccccc3O)sc2C1 ZINC000346371907 164376278 /nfs/dbraw/zinc/37/62/78/164376278.db2.gz LZRLIHQDFTVNFR-UHFFFAOYSA-N 2 2 345.512 3.290 20 0 EGADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352250182 165308603 /nfs/dbraw/zinc/30/86/03/165308603.db2.gz DKDVOURCEQSBGS-UHFFFAOYSA-N 3 2 346.544 3.336 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000355663962 166277740 /nfs/dbraw/zinc/27/77/40/166277740.db2.gz DRWZVYRGOIQVFA-KRWDZBQOSA-N 2 2 344.455 3.254 20 0 EGADLP CC(C)[NH+](CCN(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000355914330 166346552 /nfs/dbraw/zinc/34/65/52/166346552.db2.gz HNMRNRPSVPRWLO-UHFFFAOYSA-N 2 2 342.487 3.122 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H](C)[C@H]1OC ZINC000356669140 166479006 /nfs/dbraw/zinc/47/90/06/166479006.db2.gz DTXFWIFYNPZXFV-PWIZWCRZSA-N 2 2 345.531 3.475 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc(C)ccc1OC ZINC000357784193 166772301 /nfs/dbraw/zinc/77/23/01/166772301.db2.gz LLEDJJPYLGITSS-MJGOQNOKSA-N 2 2 334.504 3.137 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000358949705 167016373 /nfs/dbraw/zinc/01/63/73/167016373.db2.gz IUGMPTIGOWWXPT-OAGGEKHMSA-N 2 2 331.460 3.100 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000360714862 167395511 /nfs/dbraw/zinc/39/55/11/167395511.db2.gz FQJYCMHIYUJKPK-CQSZACIVSA-N 2 2 326.444 3.071 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000366082983 168080563 /nfs/dbraw/zinc/08/05/63/168080563.db2.gz BWFFKBYYLZBHID-HOJAQTOUSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000366082983 168080566 /nfs/dbraw/zinc/08/05/66/168080566.db2.gz BWFFKBYYLZBHID-HOJAQTOUSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000366082983 168080568 /nfs/dbraw/zinc/08/05/68/168080568.db2.gz BWFFKBYYLZBHID-HOJAQTOUSA-N 2 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000366082983 168080569 /nfs/dbraw/zinc/08/05/69/168080569.db2.gz BWFFKBYYLZBHID-HOJAQTOUSA-N 2 2 344.547 3.002 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000367133509 168183185 /nfs/dbraw/zinc/18/31/85/168183185.db2.gz NJSYXGRABMDFSS-CYBMUJFWSA-N 2 2 347.846 3.240 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000367133509 168183187 /nfs/dbraw/zinc/18/31/87/168183187.db2.gz NJSYXGRABMDFSS-CYBMUJFWSA-N 2 2 347.846 3.240 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367398079 168220771 /nfs/dbraw/zinc/22/07/71/168220771.db2.gz CIPFJBXXJLUZDB-NWDGAFQWSA-N 2 2 332.341 3.441 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367398079 168220773 /nfs/dbraw/zinc/22/07/73/168220773.db2.gz CIPFJBXXJLUZDB-NWDGAFQWSA-N 2 2 332.341 3.441 20 0 EGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(OC)c(OC)c1 ZINC000367438737 168226204 /nfs/dbraw/zinc/22/62/04/168226204.db2.gz OXJVEIIYRZJWPS-INIZCTEOSA-N 2 2 329.444 3.478 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(N2CCOC2=O)c1 ZINC000367439242 168226276 /nfs/dbraw/zinc/22/62/76/168226276.db2.gz SLQIQTOQDQBJGX-CQSZACIVSA-N 2 2 340.427 3.027 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000367589669 168245314 /nfs/dbraw/zinc/24/53/14/168245314.db2.gz QFQIFZRKRNSBPF-CWRNSKLLSA-N 2 2 338.879 3.171 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000367589669 168245315 /nfs/dbraw/zinc/24/53/15/168245315.db2.gz QFQIFZRKRNSBPF-CWRNSKLLSA-N 2 2 338.879 3.171 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000367698762 168260085 /nfs/dbraw/zinc/26/00/85/168260085.db2.gz FWJYMNALZAYQAL-NSHDSACASA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000367698762 168260086 /nfs/dbraw/zinc/26/00/86/168260086.db2.gz FWJYMNALZAYQAL-NSHDSACASA-N 2 2 338.224 3.311 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)cc3c1OCC3)CCC2 ZINC000367797359 168271766 /nfs/dbraw/zinc/27/17/66/168271766.db2.gz YQEFZGIRIVQASW-CQSZACIVSA-N 2 2 331.847 3.447 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@]3(C)OCCc4sccc43)c[nH+]c12 ZINC000368090660 168309273 /nfs/dbraw/zinc/30/92/73/168309273.db2.gz SGIGALQIQPVBDC-SFHVURJKSA-N 2 2 327.453 3.282 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@](C)(O)c3ccccc3Cl)n2c1 ZINC000156696729 224696827 /nfs/dbraw/zinc/69/68/27/224696827.db2.gz CIMZAFBSDCNWMS-GOSISDBHSA-N 2 2 329.831 3.293 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269728447 266348275 /nfs/dbraw/zinc/34/82/75/266348275.db2.gz XATMLMXYBOETPK-KRWDZBQOSA-N 2 2 327.428 3.355 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269728447 266348277 /nfs/dbraw/zinc/34/82/77/266348277.db2.gz XATMLMXYBOETPK-KRWDZBQOSA-N 2 2 327.428 3.355 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cccc(CO)c1 ZINC000271971363 266748737 /nfs/dbraw/zinc/74/87/37/266748737.db2.gz NGAPCBQNGLKZKO-IAGOWNOFSA-N 2 2 339.483 3.450 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)ncc1F ZINC000273846713 267123601 /nfs/dbraw/zinc/12/36/01/267123601.db2.gz IXFJQYMSMQHHDB-NSHDSACASA-N 2 2 330.245 3.120 20 0 EGADLP C[C@@](O)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000274323581 267218082 /nfs/dbraw/zinc/21/80/82/267218082.db2.gz XTUIXSGNLDGPEX-LJQANCHMSA-N 2 2 345.874 3.201 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924638 267307251 /nfs/dbraw/zinc/30/72/51/267307251.db2.gz PPWITBKFPGHSBP-PKOBYXMFSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924638 267307253 /nfs/dbraw/zinc/30/72/53/267307253.db2.gz PPWITBKFPGHSBP-PKOBYXMFSA-N 3 2 327.516 3.113 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)nc1 ZINC000278378123 268000053 /nfs/dbraw/zinc/00/00/53/268000053.db2.gz DXXLHZMQXZIZBK-UHFFFAOYSA-N 2 2 336.483 3.110 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCO2 ZINC000274455430 274132190 /nfs/dbraw/zinc/13/21/90/274132190.db2.gz ZOEQKYHZGPQUCO-SFHVURJKSA-N 2 2 339.439 3.172 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000037301290 275123715 /nfs/dbraw/zinc/12/37/15/275123715.db2.gz BNWPMWVNDNJKSO-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc12 ZINC000185687928 275216010 /nfs/dbraw/zinc/21/60/10/275216010.db2.gz WNJGWFIFOCKMFK-HNAYVOBHSA-N 2 2 337.471 3.058 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2C)C2CC2)CC1 ZINC000271771086 275238162 /nfs/dbraw/zinc/23/81/62/275238162.db2.gz FFXSEISUMRTOKA-NRFANRHFSA-N 2 2 344.499 3.453 20 0 EGADLP COC(=O)c1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278620427 275259795 /nfs/dbraw/zinc/25/97/95/275259795.db2.gz HJMFQCJYHZUTSB-UHFFFAOYSA-N 2 2 340.423 3.220 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C ZINC000278977318 275292895 /nfs/dbraw/zinc/29/28/95/275292895.db2.gz OHEMXHVWQWKIKQ-GMBSWORKSA-N 2 2 329.444 3.308 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cnn1C(C)C ZINC000279049014 275299253 /nfs/dbraw/zinc/29/92/53/275299253.db2.gz XWBFIDGVXXHIIS-YEWWUXTCSA-N 2 2 331.464 3.077 20 0 EGADLP CCOC(=O)[C@@H](CC)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280264707 275429201 /nfs/dbraw/zinc/42/92/01/275429201.db2.gz PZWWUBJBESLTAM-QGZVFWFLSA-N 2 2 329.444 3.323 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccsc1Br ZINC000282134801 275605125 /nfs/dbraw/zinc/60/51/25/275605125.db2.gz AFVSBWIDPNOAMB-UHFFFAOYSA-N 2 2 326.263 3.261 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1 ZINC000282267394 275616996 /nfs/dbraw/zinc/61/69/96/275616996.db2.gz KICMVVUTMSMTCL-YOEHRIQHSA-N 2 2 326.444 3.101 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000287552752 276132334 /nfs/dbraw/zinc/13/23/34/276132334.db2.gz OZFQKIPCBNGXDV-UHFFFAOYSA-N 2 2 338.455 3.485 20 0 EGADLP COCC[NH+](CCOC)C1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000289271790 276314093 /nfs/dbraw/zinc/31/40/93/276314093.db2.gz GJHHMKNOSUBOGC-HTXNQAPBSA-N 2 2 346.515 3.149 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000289357992 276327349 /nfs/dbraw/zinc/32/73/49/276327349.db2.gz YJOMCDBXVSQDTD-UHFFFAOYSA-N 2 2 337.467 3.282 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400649 276333430 /nfs/dbraw/zinc/33/34/30/276333430.db2.gz RZFZUVNSYKOGRM-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400649 276333431 /nfs/dbraw/zinc/33/34/31/276333431.db2.gz RZFZUVNSYKOGRM-MJGOQNOKSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400640 276333472 /nfs/dbraw/zinc/33/34/72/276333472.db2.gz RZFZUVNSYKOGRM-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000289400640 276333473 /nfs/dbraw/zinc/33/34/73/276333473.db2.gz RZFZUVNSYKOGRM-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000289406612 276334048 /nfs/dbraw/zinc/33/40/48/276334048.db2.gz OWFYGMSPISADLE-GOSISDBHSA-N 2 2 348.393 3.245 20 0 EGADLP O[C@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000289406895 276334110 /nfs/dbraw/zinc/33/41/10/276334110.db2.gz HFLMDTKBYPDUDC-MRXNPFEDSA-N 2 2 330.394 3.117 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000289776786 276392407 /nfs/dbraw/zinc/39/24/07/276392407.db2.gz MMZQYDMHBPQQPI-OAHLLOKOSA-N 2 2 335.455 3.493 20 0 EGADLP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000289808317 276398460 /nfs/dbraw/zinc/39/84/60/276398460.db2.gz NHRWHBQHHXZPJR-AWEZNQCLSA-N 2 2 343.393 3.171 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000290516889 276505790 /nfs/dbraw/zinc/50/57/90/276505790.db2.gz XHCWZVCHXIAYEE-KRWDZBQOSA-N 2 2 333.476 3.312 20 0 EGADLP CCc1nc(C)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000291720434 276681635 /nfs/dbraw/zinc/68/16/35/276681635.db2.gz INADUHJRDQOUET-UHFFFAOYSA-N 2 2 327.472 3.342 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)c1C ZINC000292141118 276739775 /nfs/dbraw/zinc/73/97/75/276739775.db2.gz JODYWXLXBHFEEO-UHFFFAOYSA-N 2 2 326.444 3.160 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000090667085 278425565 /nfs/dbraw/zinc/42/55/65/278425565.db2.gz AENBRDIBPLZHRW-KXBFYZLASA-N 2 2 339.487 3.008 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cc(Cl)ccc1OC ZINC000361892113 288042902 /nfs/dbraw/zinc/04/29/02/288042902.db2.gz ZOJHIZFZXBGCEC-PBHICJAKSA-N 2 2 340.895 3.358 20 0 EGADLP Cn1cc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000245935645 289304207 /nfs/dbraw/zinc/30/42/07/289304207.db2.gz JBEYWMAYBHFQRW-GUDVDZBRSA-N 2 2 330.451 3.111 20 0 EGADLP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661774 300352219 /nfs/dbraw/zinc/35/22/19/300352219.db2.gz YAYWPWCADKBLDL-CSBKYJRVSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661774 300352222 /nfs/dbraw/zinc/35/22/22/300352222.db2.gz YAYWPWCADKBLDL-CSBKYJRVSA-N 2 2 340.870 3.487 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000352524280 303385829 /nfs/dbraw/zinc/38/58/29/303385829.db2.gz BCKCQJZWCYLKJT-SFHVURJKSA-N 2 2 337.467 3.495 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000352524280 303385830 /nfs/dbraw/zinc/38/58/30/303385830.db2.gz BCKCQJZWCYLKJT-SFHVURJKSA-N 2 2 337.467 3.495 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414141637 309063187 /nfs/dbraw/zinc/06/31/87/309063187.db2.gz RGPJBMRBKMJDNC-UWVAXJGDSA-N 2 2 339.483 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414141637 309063188 /nfs/dbraw/zinc/06/31/88/309063188.db2.gz RGPJBMRBKMJDNC-UWVAXJGDSA-N 2 2 339.483 3.131 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153149277 307767184 /nfs/dbraw/zinc/76/71/84/307767184.db2.gz CCTDKFUHXXWEKZ-KBPBESRZSA-N 2 2 325.522 3.194 20 0 EGADLP COc1ccccc1C1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCCC1 ZINC000414307894 309071979 /nfs/dbraw/zinc/07/19/79/309071979.db2.gz FRCTURGVDSIUFX-UHFFFAOYSA-N 2 2 342.487 3.096 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323872 309072871 /nfs/dbraw/zinc/07/28/71/309072871.db2.gz AZBMPUKEWRYSPW-FXAWDEMLSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323872 309072872 /nfs/dbraw/zinc/07/28/72/309072872.db2.gz AZBMPUKEWRYSPW-FXAWDEMLSA-N 2 2 338.499 3.254 20 0 EGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414361025 309075092 /nfs/dbraw/zinc/07/50/92/309075092.db2.gz PAOCGMLSAYQLHG-PKOBYXMFSA-N 2 2 342.487 3.274 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000248495454 308004460 /nfs/dbraw/zinc/00/44/60/308004460.db2.gz QFUGTYDGIAKUMH-PKOBYXMFSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000248495454 308004462 /nfs/dbraw/zinc/00/44/62/308004462.db2.gz QFUGTYDGIAKUMH-PKOBYXMFSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C2CCCCC2)n1 ZINC000248495454 308004464 /nfs/dbraw/zinc/00/44/64/308004464.db2.gz QFUGTYDGIAKUMH-PKOBYXMFSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C2CCCCC2)n1 ZINC000248495454 308004465 /nfs/dbraw/zinc/00/44/65/308004465.db2.gz QFUGTYDGIAKUMH-PKOBYXMFSA-N 2 2 330.520 3.384 20 0 EGADLP C=Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000248741518 308010628 /nfs/dbraw/zinc/01/06/28/308010628.db2.gz AFFYTQIMCHREJG-LEWJYISDSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000248741518 308010630 /nfs/dbraw/zinc/01/06/30/308010630.db2.gz AFFYTQIMCHREJG-LEWJYISDSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000248741518 308010632 /nfs/dbraw/zinc/01/06/32/308010632.db2.gz AFFYTQIMCHREJG-LEWJYISDSA-N 2 2 336.483 3.470 20 0 EGADLP C=Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000248741518 308010634 /nfs/dbraw/zinc/01/06/34/308010634.db2.gz AFFYTQIMCHREJG-LEWJYISDSA-N 2 2 336.483 3.470 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccoc2C)[C@@H]1c1cnn(C)c1 ZINC000414442465 309080236 /nfs/dbraw/zinc/08/02/36/309080236.db2.gz YAKHNQJZVKFKEN-PKOBYXMFSA-N 2 2 330.476 3.227 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccoc2C)[C@@H]1c1cnn(C)c1 ZINC000414442465 309080237 /nfs/dbraw/zinc/08/02/37/309080237.db2.gz YAKHNQJZVKFKEN-PKOBYXMFSA-N 2 2 330.476 3.227 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccoc2C)[C@@H]1c1cnn(C)c1 ZINC000414442465 309080238 /nfs/dbraw/zinc/08/02/38/309080238.db2.gz YAKHNQJZVKFKEN-PKOBYXMFSA-N 2 2 330.476 3.227 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccoc2C)[C@@H]1c1cnn(C)c1 ZINC000414442465 309080239 /nfs/dbraw/zinc/08/02/39/309080239.db2.gz YAKHNQJZVKFKEN-PKOBYXMFSA-N 2 2 330.476 3.227 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293013878 308090007 /nfs/dbraw/zinc/09/00/07/308090007.db2.gz PYLQPWMCXAEOFT-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293013878 308090008 /nfs/dbraw/zinc/09/00/08/308090008.db2.gz PYLQPWMCXAEOFT-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293013878 308090009 /nfs/dbraw/zinc/09/00/09/308090009.db2.gz PYLQPWMCXAEOFT-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293013878 308090010 /nfs/dbraw/zinc/09/00/10/308090010.db2.gz PYLQPWMCXAEOFT-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225604 308111322 /nfs/dbraw/zinc/11/13/22/308111322.db2.gz AORPUBCEYCNGTM-MAUKXSAKSA-N 2 2 345.466 3.277 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225604 308111324 /nfs/dbraw/zinc/11/13/24/308111324.db2.gz AORPUBCEYCNGTM-MAUKXSAKSA-N 2 2 345.466 3.277 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534108 308139602 /nfs/dbraw/zinc/13/96/02/308139602.db2.gz CEMJAEBKGCOSET-GOSISDBHSA-N 2 2 330.501 3.191 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534108 308139604 /nfs/dbraw/zinc/13/96/04/308139604.db2.gz CEMJAEBKGCOSET-GOSISDBHSA-N 2 2 330.501 3.191 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534108 308139606 /nfs/dbraw/zinc/13/96/06/308139606.db2.gz CEMJAEBKGCOSET-GOSISDBHSA-N 2 2 330.501 3.191 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534108 308139607 /nfs/dbraw/zinc/13/96/07/308139607.db2.gz CEMJAEBKGCOSET-GOSISDBHSA-N 2 2 330.501 3.191 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596517 308145054 /nfs/dbraw/zinc/14/50/54/308145054.db2.gz IYWMUWSPXRFRSH-IBGZPJMESA-N 2 2 328.435 3.134 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596517 308145056 /nfs/dbraw/zinc/14/50/56/308145056.db2.gz IYWMUWSPXRFRSH-IBGZPJMESA-N 2 2 328.435 3.134 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596517 308145058 /nfs/dbraw/zinc/14/50/58/308145058.db2.gz IYWMUWSPXRFRSH-IBGZPJMESA-N 2 2 328.435 3.134 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596517 308145060 /nfs/dbraw/zinc/14/50/60/308145060.db2.gz IYWMUWSPXRFRSH-IBGZPJMESA-N 2 2 328.435 3.134 20 0 EGADLP C[NH+](C)Cc1ccc(NCc2[nH+]ccn2CC(F)(F)F)c(F)c1 ZINC000414486100 309083913 /nfs/dbraw/zinc/08/39/13/309083913.db2.gz KBSNHASSJXNOOB-UHFFFAOYSA-N 2 2 330.329 3.258 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000294107578 308190645 /nfs/dbraw/zinc/19/06/45/308190645.db2.gz COESXAVIRXTFLD-CZUORRHYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000294107578 308190646 /nfs/dbraw/zinc/19/06/46/308190646.db2.gz COESXAVIRXTFLD-CZUORRHYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1Cl ZINC000294107578 308190647 /nfs/dbraw/zinc/19/06/47/308190647.db2.gz COESXAVIRXTFLD-CZUORRHYSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000294107578 308190648 /nfs/dbraw/zinc/19/06/48/308190648.db2.gz COESXAVIRXTFLD-CZUORRHYSA-N 2 2 336.863 3.043 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000294658817 308242832 /nfs/dbraw/zinc/24/28/32/308242832.db2.gz AEYLOEBLFBYQBS-GJZGRUSLSA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000294658817 308242834 /nfs/dbraw/zinc/24/28/34/308242834.db2.gz AEYLOEBLFBYQBS-GJZGRUSLSA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000294658817 308242836 /nfs/dbraw/zinc/24/28/36/308242836.db2.gz AEYLOEBLFBYQBS-GJZGRUSLSA-N 2 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000294658817 308242837 /nfs/dbraw/zinc/24/28/37/308242837.db2.gz AEYLOEBLFBYQBS-GJZGRUSLSA-N 2 2 330.863 3.242 20 0 EGADLP OC1CC[NH+](CC[NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000294844989 308263316 /nfs/dbraw/zinc/26/33/16/308263316.db2.gz MWDQPVVWBMVURP-UHFFFAOYSA-N 2 2 344.421 3.074 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000294860223 308265055 /nfs/dbraw/zinc/26/50/55/308265055.db2.gz DDHGFAJQZGNIIQ-CYBMUJFWSA-N 2 2 333.819 3.229 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000294937324 308273843 /nfs/dbraw/zinc/27/38/43/308273843.db2.gz JKDDTNRMCCJHAM-OAHLLOKOSA-N 2 2 338.879 3.290 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000294937324 308273845 /nfs/dbraw/zinc/27/38/45/308273845.db2.gz JKDDTNRMCCJHAM-OAHLLOKOSA-N 2 2 338.879 3.290 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295198699 308301952 /nfs/dbraw/zinc/30/19/52/308301952.db2.gz YGZZCVWWASSUPG-YOEHRIQHSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295198699 308301953 /nfs/dbraw/zinc/30/19/53/308301953.db2.gz YGZZCVWWASSUPG-YOEHRIQHSA-N 2 2 344.421 3.245 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000295665555 308348521 /nfs/dbraw/zinc/34/85/21/308348521.db2.gz WOEPQTMWPUCWEE-ZDUSSCGKSA-N 2 2 348.878 3.309 20 0 EGADLP CC(C)(Cc1[nH]c2ccccc2[nH+]1)c1nc(C2([NH3+])CCCC2)no1 ZINC000414630444 309092750 /nfs/dbraw/zinc/09/27/50/309092750.db2.gz UKMMLPSTWLGBRR-UHFFFAOYSA-N 2 2 325.416 3.194 20 0 EGADLP CO[C@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988674 308381964 /nfs/dbraw/zinc/38/19/64/308381964.db2.gz LJFJTGSFQXNOSN-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988674 308381965 /nfs/dbraw/zinc/38/19/65/308381965.db2.gz LJFJTGSFQXNOSN-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988674 308381967 /nfs/dbraw/zinc/38/19/67/308381967.db2.gz LJFJTGSFQXNOSN-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988674 308381969 /nfs/dbraw/zinc/38/19/69/308381969.db2.gz LJFJTGSFQXNOSN-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000414775242 309100154 /nfs/dbraw/zinc/10/01/54/309100154.db2.gz BPWHGVYFQMLSJG-ZDUSSCGKSA-N 2 2 329.271 3.181 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000414775242 309100155 /nfs/dbraw/zinc/10/01/55/309100155.db2.gz BPWHGVYFQMLSJG-ZDUSSCGKSA-N 2 2 329.271 3.181 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+](C)C3(C[NH3+])CCC3)cc2)cs1 ZINC000414775355 309100355 /nfs/dbraw/zinc/10/03/55/309100355.db2.gz CDPXZUDUAXFNFH-UHFFFAOYSA-N 2 2 331.485 3.344 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+](C)C3(C[NH3+])CCC3)cc2)cs1 ZINC000414775355 309100356 /nfs/dbraw/zinc/10/03/56/309100356.db2.gz CDPXZUDUAXFNFH-UHFFFAOYSA-N 2 2 331.485 3.344 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414793287 309101783 /nfs/dbraw/zinc/10/17/83/309101783.db2.gz SZWQRCWWOWAMCF-GFCCVEGCSA-N 2 2 329.271 3.181 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000414793287 309101784 /nfs/dbraw/zinc/10/17/84/309101784.db2.gz SZWQRCWWOWAMCF-GFCCVEGCSA-N 2 2 329.271 3.181 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1SC ZINC000298330722 308604202 /nfs/dbraw/zinc/60/42/02/308604202.db2.gz IUCSTEUSAOXZCL-DJIMGWMZSA-N 2 2 335.448 3.010 20 0 EGADLP COc1cc(C[NH2+]CC[NH2+]C2CCCCCC2)cc(OC)c1OC ZINC000414804066 309102642 /nfs/dbraw/zinc/10/26/42/309102642.db2.gz KINDIMHYZSGOKW-UHFFFAOYSA-N 2 2 336.476 3.114 20 0 EGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414809483 309102674 /nfs/dbraw/zinc/10/26/74/309102674.db2.gz UGQUYIKSXWZADX-HNAYVOBHSA-N 3 2 335.923 3.412 20 0 EGADLP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414822162 309103871 /nfs/dbraw/zinc/10/38/71/309103871.db2.gz DGNGKVZWRIMDFE-INIZCTEOSA-N 2 2 338.480 3.442 20 0 EGADLP CC(C)c1cc(N2CC[NH+](Cc3ccccn3)CC2)nc(C(C)C)[nH+]1 ZINC000301839110 308717858 /nfs/dbraw/zinc/71/78/58/308717858.db2.gz ZJWLFIZNEXZZRG-UHFFFAOYSA-N 2 2 339.487 3.441 20 0 EGADLP CC(C)c1nc(NC2CC[NH+](C3CCCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000301962186 308723329 /nfs/dbraw/zinc/72/33/29/308723329.db2.gz IICAZPPORGZLOC-UHFFFAOYSA-N 2 2 346.523 3.270 20 0 EGADLP CC[NH+]1CCN([C@H](C)CNc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302772365 308744886 /nfs/dbraw/zinc/74/48/86/308744886.db2.gz NKHLDAWKHKXDES-MRXNPFEDSA-N 2 2 347.551 3.335 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CCC[NH2+]1 ZINC000414939719 309110407 /nfs/dbraw/zinc/11/04/07/309110407.db2.gz GUILBMGIOHTHEU-NRFANRHFSA-N 2 2 340.467 3.220 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009513 309114132 /nfs/dbraw/zinc/11/41/32/309114132.db2.gz UELZDALNERNUBL-FUHWJXTLSA-N 3 2 335.923 3.412 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000415070088 309118078 /nfs/dbraw/zinc/11/80/78/309118078.db2.gz UKYJTHUWVTWXJF-QFBILLFUSA-N 2 2 331.504 3.020 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCCC1 ZINC000415070362 309118081 /nfs/dbraw/zinc/11/80/81/309118081.db2.gz UTTALNZMZROJQG-HNNXBMFYSA-N 2 2 345.468 3.146 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc(N(CC)CC)s1 ZINC000415068987 309118174 /nfs/dbraw/zinc/11/81/74/309118174.db2.gz RYXSLIASQAOXKN-QGZVFWFLSA-N 2 2 332.517 3.341 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073860 309118353 /nfs/dbraw/zinc/11/83/53/309118353.db2.gz ZYGCCUAHHWFMCP-CQSZACIVSA-N 2 2 327.266 3.065 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415070892 309118379 /nfs/dbraw/zinc/11/83/79/309118379.db2.gz VSMBONMJXARSKN-AUUYWEPGSA-N 2 2 343.446 3.395 20 0 EGADLP Clc1ccc(C[NH+]2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000415075600 309118573 /nfs/dbraw/zinc/11/85/73/309118573.db2.gz BTLLQYUSANHZSV-OAHLLOKOSA-N 2 2 342.314 3.299 20 0 EGADLP [NH3+]CC1CCC(Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC1 ZINC000415105083 309120780 /nfs/dbraw/zinc/12/07/80/309120780.db2.gz LUWFPGOOENYZFQ-UHFFFAOYSA-N 2 2 337.895 3.102 20 0 EGADLP Cc1cc(NC(=O)NC2(C[NH3+])CCCC2)c[nH+]c1N1CCCC[C@H]1C ZINC000415435324 309133433 /nfs/dbraw/zinc/13/34/33/309133433.db2.gz JFISTPDMJAWTSY-OAHLLOKOSA-N 2 2 345.491 3.162 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000415905438 309147347 /nfs/dbraw/zinc/14/73/47/309147347.db2.gz ILPBGVYNJRMSMT-QAPCUYQASA-N 2 2 341.459 3.108 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000416236150 309165070 /nfs/dbraw/zinc/16/50/70/309165070.db2.gz AFOCHUQBAUQARA-AEFFLSMTSA-N 2 2 340.471 3.023 20 0 EGADLP CCc1cc(N[C@@H](CCC[NH3+])c2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000420273300 309278922 /nfs/dbraw/zinc/27/89/22/309278922.db2.gz IYBWQKIZNUIVRN-IBGZPJMESA-N 2 2 347.466 3.415 20 0 EGADLP C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000420289693 309279445 /nfs/dbraw/zinc/27/94/45/309279445.db2.gz KUWWEKUWYFGBPD-ZMYBRWDISA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000420289693 309279446 /nfs/dbraw/zinc/27/94/46/309279446.db2.gz KUWWEKUWYFGBPD-ZMYBRWDISA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301481 309280412 /nfs/dbraw/zinc/28/04/12/309280412.db2.gz FBWQPGDCPLIRFK-LPHOPBHVSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301481 309280413 /nfs/dbraw/zinc/28/04/13/309280413.db2.gz FBWQPGDCPLIRFK-LPHOPBHVSA-N 2 2 349.478 3.119 20 0 EGADLP CC(C)n1ncnc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420318670 309281840 /nfs/dbraw/zinc/28/18/40/309281840.db2.gz WITLSCGNEVIUIK-OALUTQOASA-N 2 2 341.503 3.031 20 0 EGADLP CC(C)n1ncnc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420318670 309281841 /nfs/dbraw/zinc/28/18/41/309281841.db2.gz WITLSCGNEVIUIK-OALUTQOASA-N 2 2 341.503 3.031 20 0 EGADLP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000420321664 309282149 /nfs/dbraw/zinc/28/21/49/309282149.db2.gz RKSHIXNIZQRRDZ-SFHVURJKSA-N 3 2 330.520 3.010 20 0 EGADLP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000420321664 309282150 /nfs/dbraw/zinc/28/21/50/309282150.db2.gz RKSHIXNIZQRRDZ-SFHVURJKSA-N 3 2 330.520 3.010 20 0 EGADLP CCC[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420366450 309284561 /nfs/dbraw/zinc/28/45/61/309284561.db2.gz UPKWXGUEKYNHBI-OALUTQOASA-N 2 2 331.504 3.141 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420366815 309284681 /nfs/dbraw/zinc/28/46/81/309284681.db2.gz MMCVBCTVNIZTJY-OXJKWZBOSA-N 2 2 343.393 3.009 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420389216 309285911 /nfs/dbraw/zinc/28/59/11/309285911.db2.gz HHSPQUADHDLXEY-OALUTQOASA-N 2 2 343.515 3.214 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420389216 309285912 /nfs/dbraw/zinc/28/59/12/309285912.db2.gz HHSPQUADHDLXEY-OALUTQOASA-N 2 2 343.515 3.214 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420391507 309285916 /nfs/dbraw/zinc/28/59/16/309285916.db2.gz IMOPORSKGRTJOK-RDTXWAMCSA-N 2 2 346.425 3.115 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420391507 309285917 /nfs/dbraw/zinc/28/59/17/309285917.db2.gz IMOPORSKGRTJOK-RDTXWAMCSA-N 2 2 346.425 3.115 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409937 309287009 /nfs/dbraw/zinc/28/70/09/309287009.db2.gz XRIOLYSWXCYJKC-HOCLYGCPSA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409937 309287010 /nfs/dbraw/zinc/28/70/10/309287010.db2.gz XRIOLYSWXCYJKC-HOCLYGCPSA-N 2 2 330.451 3.159 20 0 EGADLP CC(C)[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCS1 ZINC000420903591 309300154 /nfs/dbraw/zinc/30/01/54/309300154.db2.gz AZRVXNGDVJHIHR-LJQANCHMSA-N 2 2 334.529 3.092 20 0 EGADLP CC(C)[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCS1 ZINC000420903591 309300155 /nfs/dbraw/zinc/30/01/55/309300155.db2.gz AZRVXNGDVJHIHR-LJQANCHMSA-N 2 2 334.529 3.092 20 0 EGADLP Cc1cnc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420926947 309301772 /nfs/dbraw/zinc/30/17/72/309301772.db2.gz YSKHZSQDOYXRAF-HNNXBMFYSA-N 2 2 331.485 3.135 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCc4cccnc4CC3)c2)c[nH+]1 ZINC000421822996 309341624 /nfs/dbraw/zinc/34/16/24/309341624.db2.gz YHTYGWDXFDAAGO-FQEVSTJZSA-N 2 2 332.451 3.364 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)CC3CCCC3)CC2)CC1 ZINC000422013176 309350940 /nfs/dbraw/zinc/35/09/40/309350940.db2.gz FAHGKWCJTLKABY-SFHVURJKSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)CC3CCCC3)CC2)CC1 ZINC000422013176 309350941 /nfs/dbraw/zinc/35/09/41/309350941.db2.gz FAHGKWCJTLKABY-SFHVURJKSA-N 2 2 349.563 3.221 20 0 EGADLP COc1sc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Br ZINC000422559451 309361733 /nfs/dbraw/zinc/36/17/33/309361733.db2.gz DAJDEZHUMUVXRC-DCAQKATOSA-N 2 2 347.322 3.324 20 0 EGADLP COc1sc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1Br ZINC000422559451 309361734 /nfs/dbraw/zinc/36/17/34/309361734.db2.gz DAJDEZHUMUVXRC-DCAQKATOSA-N 2 2 347.322 3.324 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)n2)cc1 ZINC000422626000 309362737 /nfs/dbraw/zinc/36/27/37/309362737.db2.gz CYRKRIFOICMFON-VBQJREDUSA-N 2 2 328.460 3.104 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)n2)cc1 ZINC000422626000 309362738 /nfs/dbraw/zinc/36/27/38/309362738.db2.gz CYRKRIFOICMFON-VBQJREDUSA-N 2 2 328.460 3.104 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422717483 309364572 /nfs/dbraw/zinc/36/45/72/309364572.db2.gz VXBHQRQOWYUUDF-OALUTQOASA-N 2 2 329.488 3.436 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735440 309365844 /nfs/dbraw/zinc/36/58/44/309365844.db2.gz UTDRVGXSYJZLCS-JSGCOSHPSA-N 2 2 328.859 3.113 20 0 EGADLP c1cn(-c2cccc(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000422739867 309366109 /nfs/dbraw/zinc/36/61/09/309366109.db2.gz ANZSIJGOJAEKNB-FPOVZHCZSA-N 3 2 332.451 3.455 20 0 EGADLP CCC(CC)(C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000422773972 309367652 /nfs/dbraw/zinc/36/76/52/309367652.db2.gz ZNEOTWYTYLPJHY-HBFSDRIKSA-N 3 2 347.547 3.253 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422793082 309368541 /nfs/dbraw/zinc/36/85/41/309368541.db2.gz XUVDXHAQKAUKGH-PLMTUMEDSA-N 2 2 342.458 3.466 20 0 EGADLP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422793607 309368724 /nfs/dbraw/zinc/36/87/24/309368724.db2.gz XBRJGBGLAKWCOU-KXBFYZLASA-N 2 2 335.923 3.425 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422826113 309370487 /nfs/dbraw/zinc/37/04/87/309370487.db2.gz KVTQSPMSKBWKBZ-PCCBWWKXSA-N 3 2 338.499 3.332 20 0 EGADLP C[NH2+]C[C@@H](C)CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000422830443 309370666 /nfs/dbraw/zinc/37/06/66/309370666.db2.gz RCVGQZRZWHRDSA-OAHLLOKOSA-N 2 2 342.487 3.056 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831466 309370943 /nfs/dbraw/zinc/37/09/43/309370943.db2.gz TUGGGPZGWLWHQZ-OXQOHEQNSA-N 2 2 334.467 3.172 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422853756 309372213 /nfs/dbraw/zinc/37/22/13/309372213.db2.gz CFPKGZFAYSCFHN-LSDHHAIUSA-N 2 2 337.345 3.257 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422877122 309373524 /nfs/dbraw/zinc/37/35/24/309373524.db2.gz RBFCTTRTIPXARL-NZSAHSFTSA-N 2 2 332.488 3.173 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422888447 309374289 /nfs/dbraw/zinc/37/42/89/309374289.db2.gz CVYDBGHWGQJOQP-CZUORRHYSA-N 2 2 327.453 3.451 20 0 EGADLP CC(C)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(F)cccc1Cl ZINC000422923547 309376484 /nfs/dbraw/zinc/37/64/84/309376484.db2.gz WNQYOPIEEPWPQZ-RDJZCZTQSA-N 2 2 340.870 3.113 20 0 EGADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423017706 309381082 /nfs/dbraw/zinc/38/10/82/309381082.db2.gz PKLGTCOOBSILDW-KOZAUXTDSA-N 2 2 341.293 3.255 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423042531 309382542 /nfs/dbraw/zinc/38/25/42/309382542.db2.gz LDYGFDDTJIUCGL-AHIWAGSCSA-N 2 2 325.859 3.178 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC(C(F)(F)F)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423118457 309386786 /nfs/dbraw/zinc/38/67/86/309386786.db2.gz AQDZWIUJGIJJSJ-FPCDFSMTSA-N 2 2 328.378 3.419 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423119603 309386798 /nfs/dbraw/zinc/38/67/98/309386798.db2.gz FCXDOAKWVPBJJD-JFIYKMOQSA-N 2 2 341.455 3.292 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Br)cc1F ZINC000423124970 309386933 /nfs/dbraw/zinc/38/69/33/309386933.db2.gz POOBLOQVDVRWSF-LOWVWBTDSA-N 2 2 345.256 3.006 20 0 EGADLP COCCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000423183862 309389558 /nfs/dbraw/zinc/38/95/58/309389558.db2.gz ICBFONMVMOXSHT-CVEARBPZSA-N 2 2 341.293 3.258 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423238787 309392044 /nfs/dbraw/zinc/39/20/44/309392044.db2.gz JLASVFRKVDGVNZ-KXBFYZLASA-N 2 2 327.472 3.434 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000423311677 309394864 /nfs/dbraw/zinc/39/48/64/309394864.db2.gz CGJLPMDBTJFANQ-ZDUSSCGKSA-N 2 2 338.398 3.328 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000423332349 309395583 /nfs/dbraw/zinc/39/55/83/309395583.db2.gz NEZFUQGGRKUYJU-ZNZDAUKMSA-N 2 2 329.419 3.026 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC[NH2+]1 ZINC000423365808 309397199 /nfs/dbraw/zinc/39/71/99/309397199.db2.gz BWLYEJPZEHAMEH-ISTVAULSSA-N 2 2 327.241 3.306 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423367742 309397376 /nfs/dbraw/zinc/39/73/76/309397376.db2.gz AMSCQNZCGVSSNN-RISCZKNCSA-N 2 2 327.266 3.250 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1NC(C)=O ZINC000423388561 309398263 /nfs/dbraw/zinc/39/82/63/309398263.db2.gz MXRSZUBZDQYFBW-FZKQIMNGSA-N 2 2 333.476 3.082 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000423480635 309401975 /nfs/dbraw/zinc/40/19/75/309401975.db2.gz WHJKUWIUSBGFPH-IAQYHMDHSA-N 2 2 329.282 3.482 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)[C@@H](C)[NH3+] ZINC000423810404 309414100 /nfs/dbraw/zinc/41/41/00/309414100.db2.gz MDAPMRMAVXXHSC-MLGOLLRUSA-N 2 2 330.476 3.429 20 0 EGADLP CC(C)Cn1cc[nH+]c1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424149907 309430918 /nfs/dbraw/zinc/43/09/18/309430918.db2.gz XUUUZWTUDSPRGW-KRWDZBQOSA-N 2 2 334.508 3.233 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1O ZINC000448352465 310002441 /nfs/dbraw/zinc/00/24/41/310002441.db2.gz DGNXMBCHBVITCT-DNVCBOLYSA-N 2 2 334.504 3.432 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1O ZINC000448352465 310002442 /nfs/dbraw/zinc/00/24/42/310002442.db2.gz DGNXMBCHBVITCT-DNVCBOLYSA-N 2 2 334.504 3.432 20 0 EGADLP CCn1nnc(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031896 310031091 /nfs/dbraw/zinc/03/10/91/310031091.db2.gz XTZBHNMHUAWOSO-QFBILLFUSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031896 310031092 /nfs/dbraw/zinc/03/10/92/310031092.db2.gz XTZBHNMHUAWOSO-QFBILLFUSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031896 310031093 /nfs/dbraw/zinc/03/10/93/310031093.db2.gz XTZBHNMHUAWOSO-QFBILLFUSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449031896 310031094 /nfs/dbraw/zinc/03/10/94/310031094.db2.gz XTZBHNMHUAWOSO-QFBILLFUSA-N 2 2 341.503 3.091 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449034937 310031807 /nfs/dbraw/zinc/03/18/07/310031807.db2.gz LLXYUTUNSQTEME-KRWDZBQOSA-N 2 2 329.513 3.312 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449034937 310031808 /nfs/dbraw/zinc/03/18/08/310031808.db2.gz LLXYUTUNSQTEME-KRWDZBQOSA-N 2 2 329.513 3.312 20 0 EGADLP COc1cc(C)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449062826 310034138 /nfs/dbraw/zinc/03/41/38/310034138.db2.gz NBIKLFOFRFCGAU-UHFFFAOYSA-N 2 2 340.467 3.126 20 0 EGADLP c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n(C2CCCC2)n1 ZINC000449076387 310035095 /nfs/dbraw/zinc/03/50/95/310035095.db2.gz GYRVRBCSUYFRAS-UHFFFAOYSA-N 2 2 325.460 3.152 20 0 EGADLP CCC[C@H](C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)OC ZINC000449374936 310057338 /nfs/dbraw/zinc/05/73/38/310057338.db2.gz GSFPIVUWXHVLQJ-CQSZACIVSA-N 2 2 340.265 3.310 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000449388832 310058290 /nfs/dbraw/zinc/05/82/90/310058290.db2.gz QKLFGCIHAIKLGP-SZVBFZGTSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000449388832 310058291 /nfs/dbraw/zinc/05/82/91/310058291.db2.gz QKLFGCIHAIKLGP-SZVBFZGTSA-N 2 2 336.907 3.413 20 0 EGADLP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000449482963 310065776 /nfs/dbraw/zinc/06/57/76/310065776.db2.gz FGAUOCXAYDDDLF-NRFANRHFSA-N 2 2 339.483 3.197 20 0 EGADLP CO[C@](C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000449486809 310066200 /nfs/dbraw/zinc/06/62/00/310066200.db2.gz VLGGBNAGHHGEKZ-HXUWFJFHSA-N 2 2 325.456 3.202 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)C1 ZINC000449503948 310067559 /nfs/dbraw/zinc/06/75/59/310067559.db2.gz IOEPRSJWLIYSHP-DVMWJLJYSA-N 2 2 328.500 3.209 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)C1 ZINC000449503948 310067560 /nfs/dbraw/zinc/06/75/60/310067560.db2.gz IOEPRSJWLIYSHP-DVMWJLJYSA-N 2 2 328.500 3.209 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CC3CC3)CC2)cc1 ZINC000449523512 310069213 /nfs/dbraw/zinc/06/92/13/310069213.db2.gz LNDBHOSUIOGZEU-HNNXBMFYSA-N 2 2 329.488 3.388 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)c[nH+]1 ZINC000449656845 310078033 /nfs/dbraw/zinc/07/80/33/310078033.db2.gz MOTNYKITPLSILR-QRVBRYPASA-N 2 2 342.487 3.306 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000449776168 310086302 /nfs/dbraw/zinc/08/63/02/310086302.db2.gz NVDAQBYVMAMUOU-VXGBXAGGSA-N 2 2 349.276 3.042 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc21 ZINC000449776168 310086303 /nfs/dbraw/zinc/08/63/03/310086303.db2.gz NVDAQBYVMAMUOU-VXGBXAGGSA-N 2 2 349.276 3.042 20 0 EGADLP CCc1cc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2nccs2)cc[nH+]1 ZINC000450470159 310124540 /nfs/dbraw/zinc/12/45/40/310124540.db2.gz SYLJNHWNKAGSFX-BBRMVZONSA-N 2 2 334.464 3.149 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453098140 310257655 /nfs/dbraw/zinc/25/76/55/310257655.db2.gz ZVRWWOPQIJIEDB-NJDAHSKKSA-N 3 2 338.499 3.224 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453098140 310257656 /nfs/dbraw/zinc/25/76/56/310257656.db2.gz ZVRWWOPQIJIEDB-NJDAHSKKSA-N 3 2 338.499 3.224 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106583 310258441 /nfs/dbraw/zinc/25/84/41/310258441.db2.gz HEDQVFHMKACUMZ-QZTJIDSGSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106583 310258442 /nfs/dbraw/zinc/25/84/42/310258442.db2.gz HEDQVFHMKACUMZ-QZTJIDSGSA-N 2 2 349.906 3.111 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453227090 310265337 /nfs/dbraw/zinc/26/53/37/310265337.db2.gz AORWNDSAMXCPHI-MGPUTAFESA-N 2 2 339.414 3.266 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+]3CCCO)ccc2c1 ZINC000453264766 310268029 /nfs/dbraw/zinc/26/80/29/310268029.db2.gz VXOFOULJFALIOV-UZLBHIALSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+]3CCCO)ccc2c1 ZINC000453264766 310268030 /nfs/dbraw/zinc/26/80/30/310268030.db2.gz VXOFOULJFALIOV-UZLBHIALSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccccc1[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CCCC1 ZINC000453273333 310268640 /nfs/dbraw/zinc/26/86/40/310268640.db2.gz VSDPIADYXACWMX-RXVVDRJESA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CCCC1 ZINC000453273333 310268641 /nfs/dbraw/zinc/26/86/41/310268641.db2.gz VSDPIADYXACWMX-RXVVDRJESA-N 2 2 346.515 3.363 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC000453396499 310274704 /nfs/dbraw/zinc/27/47/04/310274704.db2.gz KTAJJDQEIMAVQS-LJQANCHMSA-N 2 2 341.503 3.182 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC000453396499 310274705 /nfs/dbraw/zinc/27/47/05/310274705.db2.gz KTAJJDQEIMAVQS-LJQANCHMSA-N 2 2 341.503 3.182 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CC[C@@H](C)O3)c[nH+]c12 ZINC000453622949 310285328 /nfs/dbraw/zinc/28/53/28/310285328.db2.gz BBYNHNQBFFUPQI-BXUZGUMPSA-N 2 2 338.249 3.062 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c[nH+]1 ZINC000454506825 310313696 /nfs/dbraw/zinc/31/36/96/310313696.db2.gz VNORPHYCDQPTKP-GOSISDBHSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000455482442 310363049 /nfs/dbraw/zinc/36/30/49/310363049.db2.gz PHTYPJAONOYAAO-GJZGRUSLSA-N 2 2 348.491 3.016 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000455503644 310364186 /nfs/dbraw/zinc/36/41/86/310364186.db2.gz VUFROEQOKXAWPG-QGZVFWFLSA-N 2 2 330.476 3.202 20 0 EGADLP Cc1cc(C)c(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000456863454 310426420 /nfs/dbraw/zinc/42/64/20/310426420.db2.gz QZWYSRYXAFNARK-UHFFFAOYSA-N 2 2 337.467 3.227 20 0 EGADLP Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000457215271 310443384 /nfs/dbraw/zinc/44/33/84/310443384.db2.gz YVHDOFFGDZAYBX-UHFFFAOYSA-N 2 2 327.428 3.252 20 0 EGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000474365377 310791693 /nfs/dbraw/zinc/79/16/93/310791693.db2.gz AKROEYFIYGOXET-OALUTQOASA-N 2 2 336.907 3.370 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)c1 ZINC000487966293 311045195 /nfs/dbraw/zinc/04/51/95/311045195.db2.gz WDGSVQSKIVBOKO-UHFFFAOYSA-N 2 2 348.450 3.451 20 0 EGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CC[NH+]2CCC(C)CC2)C3)cc1 ZINC000488099410 311051120 /nfs/dbraw/zinc/05/11/20/311051120.db2.gz XEDBLPJKVHRJLZ-UHFFFAOYSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CS1 ZINC000488443800 311065803 /nfs/dbraw/zinc/06/58/03/311065803.db2.gz BZVCSVLOQNQCGU-ROUUACIJSA-N 2 2 340.577 3.389 20 0 EGADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490083510 311132928 /nfs/dbraw/zinc/13/29/28/311132928.db2.gz CEOUBXAFRMPVCY-QGZVFWFLSA-N 2 2 328.460 3.321 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000492855684 311299465 /nfs/dbraw/zinc/29/94/65/311299465.db2.gz AOXALZMTADSSLW-LBDIVEORSA-N 2 2 338.455 3.107 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000492855684 311299467 /nfs/dbraw/zinc/29/94/67/311299467.db2.gz AOXALZMTADSSLW-LBDIVEORSA-N 2 2 338.455 3.107 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000493358035 311364833 /nfs/dbraw/zinc/36/48/33/311364833.db2.gz OAXJVYSUHYSWPQ-RVKKMQEKSA-N 2 2 347.503 3.312 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000493358035 311364835 /nfs/dbraw/zinc/36/48/35/311364835.db2.gz OAXJVYSUHYSWPQ-RVKKMQEKSA-N 2 2 347.503 3.312 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CC(OCc3ccccc3)C1)CCC2 ZINC000493767218 311427143 /nfs/dbraw/zinc/42/71/43/311427143.db2.gz MIDXRYFZZIZKHG-LMDPOFIKSA-N 2 2 325.456 3.406 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000493889541 311443239 /nfs/dbraw/zinc/44/32/39/311443239.db2.gz WFACABOJFMEVQL-MXEMCNAFSA-N 2 2 342.527 3.487 20 0 EGADLP Brc1ccc(C2CC([NH2+][C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000494788804 311512266 /nfs/dbraw/zinc/51/22/66/311512266.db2.gz VJJNBFNTYZIJIR-SIWZUTFBSA-N 2 2 346.272 3.496 20 0 EGADLP C[C@@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCCOC1 ZINC000507472674 312073769 /nfs/dbraw/zinc/07/37/69/312073769.db2.gz RRDQVCVVKWJHOQ-MSOLQXFVSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCCOC1 ZINC000507472674 312073771 /nfs/dbraw/zinc/07/37/71/312073771.db2.gz RRDQVCVVKWJHOQ-MSOLQXFVSA-N 2 2 338.536 3.205 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000507516838 312076087 /nfs/dbraw/zinc/07/60/87/312076087.db2.gz XATLOZHDVFHDPF-UIFIKXQLSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)[N@H+]1CCc2ccccc2C1 ZINC000507516838 312076091 /nfs/dbraw/zinc/07/60/91/312076091.db2.gz XATLOZHDVFHDPF-UIFIKXQLSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709147 312100315 /nfs/dbraw/zinc/10/03/15/312100315.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709147 312100318 /nfs/dbraw/zinc/10/03/18/312100318.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709147 312100320 /nfs/dbraw/zinc/10/03/20/312100320.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709147 312100323 /nfs/dbraw/zinc/10/03/23/312100323.db2.gz FWFJCBYOJGYCOJ-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP COCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000510604244 312144540 /nfs/dbraw/zinc/14/45/40/312144540.db2.gz WEGKUKMQVKYKKE-HXUWFJFHSA-N 2 2 347.547 3.240 20 0 EGADLP CCCC1CCC([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000513466341 312211235 /nfs/dbraw/zinc/21/12/35/312211235.db2.gz DJAPLTLBPOTDEW-JITJBCMDSA-N 2 2 330.516 3.354 20 0 EGADLP CCCC1CCC([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000513466341 312211236 /nfs/dbraw/zinc/21/12/36/312211236.db2.gz DJAPLTLBPOTDEW-JITJBCMDSA-N 2 2 330.516 3.354 20 0 EGADLP Cc1ccc2c(C)cc(NCc3ccc(N4CCOCC4)[nH+]c3)[nH+]c2c1 ZINC000514489820 312230060 /nfs/dbraw/zinc/23/00/60/312230060.db2.gz QGPJIHQGVXTCBQ-UHFFFAOYSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223554 312315474 /nfs/dbraw/zinc/31/54/74/312315474.db2.gz XCQSVGDSIQWEPW-OXJNMPFZSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223554 312315476 /nfs/dbraw/zinc/31/54/76/312315476.db2.gz XCQSVGDSIQWEPW-OXJNMPFZSA-N 2 2 334.467 3.183 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)ccn12 ZINC000516581051 312331408 /nfs/dbraw/zinc/33/14/08/312331408.db2.gz ALFILUOBQPMGBQ-IYBDPMFKSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccn12 ZINC000516581051 312331410 /nfs/dbraw/zinc/33/14/10/312331410.db2.gz ALFILUOBQPMGBQ-IYBDPMFKSA-N 2 2 342.487 3.131 20 0 EGADLP C[C@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000516906917 312349565 /nfs/dbraw/zinc/34/95/65/312349565.db2.gz NUTIIRDZRHATTN-QGZVFWFLSA-N 2 2 338.499 3.250 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920878 312350946 /nfs/dbraw/zinc/35/09/46/312350946.db2.gz PTCZVDSOPNQNMB-CQSZACIVSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920878 312350948 /nfs/dbraw/zinc/35/09/48/312350948.db2.gz PTCZVDSOPNQNMB-CQSZACIVSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1)c1ccccc1 ZINC000517358858 312375986 /nfs/dbraw/zinc/37/59/86/312375986.db2.gz QEVJFFTUJGIXDV-MJGOQNOKSA-N 2 2 342.483 3.145 20 0 EGADLP CC[NH+](CC)CCCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000518780193 312429202 /nfs/dbraw/zinc/42/92/02/312429202.db2.gz NDZCNIQYEHEIRH-KRWDZBQOSA-N 2 2 334.508 3.195 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCCOCC(F)(F)F)[C@@H]2CCC[NH2+]2)cc1 ZINC000518959927 312434212 /nfs/dbraw/zinc/43/42/12/312434212.db2.gz QJQPUVYWLCQOLJ-JKSUJKDBSA-N 2 2 346.393 3.047 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000527694858 312914277 /nfs/dbraw/zinc/91/42/77/312914277.db2.gz LRBAVQSLIRVULB-ZDUSSCGKSA-N 2 2 325.334 3.015 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000528961901 313220285 /nfs/dbraw/zinc/22/02/85/313220285.db2.gz WSBZBWRYZRFNJN-KRWDZBQOSA-N 2 2 341.459 3.171 20 0 EGADLP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000528961901 313220289 /nfs/dbraw/zinc/22/02/89/313220289.db2.gz WSBZBWRYZRFNJN-KRWDZBQOSA-N 2 2 341.459 3.171 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)cc2n1C ZINC000529715783 313394380 /nfs/dbraw/zinc/39/43/80/313394380.db2.gz KIQXXQOIBHYUIS-QGZVFWFLSA-N 2 2 340.471 3.019 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CC[N@H+]3C3CCCCC3)cc2n1C ZINC000529715783 313394383 /nfs/dbraw/zinc/39/43/83/313394383.db2.gz KIQXXQOIBHYUIS-QGZVFWFLSA-N 2 2 340.471 3.019 20 0 EGADLP c1ccc(-c2nnc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)o2)cc1 ZINC000534859948 314003466 /nfs/dbraw/zinc/00/34/66/314003466.db2.gz HSRYWGIKKBESJC-UHFFFAOYSA-N 2 2 335.411 3.208 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000535774051 314072456 /nfs/dbraw/zinc/07/24/56/314072456.db2.gz IAZIDWKMHPMVLL-IBGZPJMESA-N 2 2 340.471 3.325 20 0 EGADLP CC(C)c1cc(N2CC[NH+](Cc3ccsc3)CC2)nc(N(C)C)[nH+]1 ZINC000536017924 314088802 /nfs/dbraw/zinc/08/88/02/314088802.db2.gz NIAMMDRBMWRARF-UHFFFAOYSA-N 2 2 345.516 3.050 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536463440 314114973 /nfs/dbraw/zinc/11/49/73/314114973.db2.gz MBGMESUVYHREOR-JKSUJKDBSA-N 2 2 340.471 3.360 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536463440 314114977 /nfs/dbraw/zinc/11/49/77/314114977.db2.gz MBGMESUVYHREOR-JKSUJKDBSA-N 2 2 340.471 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536853973 314149843 /nfs/dbraw/zinc/14/98/43/314149843.db2.gz WSYZYHVVUDLKCV-BEFAXECRSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536853973 314149846 /nfs/dbraw/zinc/14/98/46/314149846.db2.gz WSYZYHVVUDLKCV-BEFAXECRSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536853998 314150003 /nfs/dbraw/zinc/15/00/03/314150003.db2.gz WSYZYHVVUDLKCV-HNAYVOBHSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536853998 314150006 /nfs/dbraw/zinc/15/00/06/314150006.db2.gz WSYZYHVVUDLKCV-HNAYVOBHSA-N 2 2 348.918 3.461 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)o1 ZINC000538429627 314246445 /nfs/dbraw/zinc/24/64/45/314246445.db2.gz XVRCDVAEACUJCJ-NVXWUHKLSA-N 2 2 336.476 3.447 20 0 EGADLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCOCC1 ZINC000539688074 314328870 /nfs/dbraw/zinc/32/88/70/314328870.db2.gz DQOXZOFKYYHQGB-IBGZPJMESA-N 2 2 346.519 3.229 20 0 EGADLP Clc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000547989674 314958085 /nfs/dbraw/zinc/95/80/85/314958085.db2.gz MNQYQPIZGGOVML-HNNXBMFYSA-N 2 2 327.819 3.031 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877456 315057572 /nfs/dbraw/zinc/05/75/72/315057572.db2.gz QIEXIBJISMGWIZ-MSOLQXFVSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877456 315057573 /nfs/dbraw/zinc/05/75/73/315057573.db2.gz QIEXIBJISMGWIZ-MSOLQXFVSA-N 2 2 337.423 3.231 20 0 EGADLP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549095769 315074838 /nfs/dbraw/zinc/07/48/38/315074838.db2.gz XNDHWPCELJYLHW-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549095769 315074841 /nfs/dbraw/zinc/07/48/41/315074841.db2.gz XNDHWPCELJYLHW-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)c1 ZINC000550892904 315137209 /nfs/dbraw/zinc/13/72/09/315137209.db2.gz VGGOQNNKNVUGDU-PZJWPPBQSA-N 2 2 345.531 3.054 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccncn2)cc1 ZINC000551803491 315170304 /nfs/dbraw/zinc/17/03/04/315170304.db2.gz IPNCYTJTJZZFES-OAQYLSRUSA-N 2 2 345.450 3.220 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098650 315197946 /nfs/dbraw/zinc/19/79/46/315197946.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098650 315197949 /nfs/dbraw/zinc/19/79/49/315197949.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098650 315197950 /nfs/dbraw/zinc/19/79/50/315197950.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098650 315197953 /nfs/dbraw/zinc/19/79/53/315197953.db2.gz KQNYLTFASRUXID-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214338 /nfs/dbraw/zinc/21/43/38/315214338.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214341 /nfs/dbraw/zinc/21/43/41/315214341.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214345 /nfs/dbraw/zinc/21/43/45/315214345.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552337377 315214346 /nfs/dbraw/zinc/21/43/46/315214346.db2.gz RVOSMEATUSJTGE-FNAHDJPLSA-N 3 2 341.543 3.361 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000554988436 315360948 /nfs/dbraw/zinc/36/09/48/315360948.db2.gz SSHRSKPTSWPXEM-UHFFFAOYSA-N 2 2 329.448 3.064 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc21 ZINC000555168445 315370523 /nfs/dbraw/zinc/37/05/23/315370523.db2.gz UIXGLFZEGPTMHX-OALUTQOASA-N 2 2 341.455 3.435 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000555587089 315392653 /nfs/dbraw/zinc/39/26/53/315392653.db2.gz YLWXWZXYRAWVSD-HOTGVXAUSA-N 2 2 333.476 3.211 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)c(F)c1 ZINC000560422503 315686231 /nfs/dbraw/zinc/68/62/31/315686231.db2.gz RQSQPSAVSLGPOU-UKRRQHHQSA-N 2 2 328.859 3.223 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)c(F)c1 ZINC000560422501 315686428 /nfs/dbraw/zinc/68/64/28/315686428.db2.gz RQSQPSAVSLGPOU-DZGCQCFKSA-N 2 2 328.859 3.223 20 0 EGADLP Cc1[nH]c(CNc2cc(C[NH+]3CCSCC3)ccc2C)[nH+]c1C ZINC000563440050 316022778 /nfs/dbraw/zinc/02/27/78/316022778.db2.gz OEIAXIVCPSHKIB-UHFFFAOYSA-N 2 2 330.501 3.496 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352928 316142304 /nfs/dbraw/zinc/14/23/04/316142304.db2.gz YODBJOZPDYTVDQ-DOTOQJQBSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352928 316142308 /nfs/dbraw/zinc/14/23/08/316142308.db2.gz YODBJOZPDYTVDQ-DOTOQJQBSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000567624006 316645346 /nfs/dbraw/zinc/64/53/46/316645346.db2.gz BNAZKGRZSLSCKH-UHFFFAOYSA-N 2 2 342.483 3.044 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000567724054 316663777 /nfs/dbraw/zinc/66/37/77/316663777.db2.gz WIPGCMRFYCQUSN-RYUDHWBXSA-N 2 2 332.366 3.072 20 0 EGADLP Cc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000568029945 316712340 /nfs/dbraw/zinc/71/23/40/316712340.db2.gz BKGHIILKEOOGMV-UHFFFAOYSA-N 2 2 344.890 3.085 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000570123576 317010802 /nfs/dbraw/zinc/01/08/02/317010802.db2.gz SXIJGPIYWYQFCZ-OKILXGFUSA-N 2 2 339.443 3.403 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000570123576 317010805 /nfs/dbraw/zinc/01/08/05/317010805.db2.gz SXIJGPIYWYQFCZ-OKILXGFUSA-N 2 2 339.443 3.403 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000570419892 317053899 /nfs/dbraw/zinc/05/38/99/317053899.db2.gz OKUMVHICZSHHCI-HBFSDRIKSA-N 2 2 345.531 3.039 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000570419892 317053902 /nfs/dbraw/zinc/05/39/02/317053902.db2.gz OKUMVHICZSHHCI-HBFSDRIKSA-N 2 2 345.531 3.039 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000571288566 317179057 /nfs/dbraw/zinc/17/90/57/317179057.db2.gz QGWSPAHFUGVWFI-RDJZCZTQSA-N 2 2 341.503 3.245 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000571288566 317179060 /nfs/dbraw/zinc/17/90/60/317179060.db2.gz QGWSPAHFUGVWFI-RDJZCZTQSA-N 2 2 341.503 3.245 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000572691122 317374706 /nfs/dbraw/zinc/37/47/06/317374706.db2.gz FXXXPNWCZSBVGJ-ZDUSSCGKSA-N 2 2 325.294 3.236 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000174629131 323308624 /nfs/dbraw/zinc/30/86/24/323308624.db2.gz FEXUPDWJTYAACB-IUODEOHRSA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000174629131 323308627 /nfs/dbraw/zinc/30/86/27/323308627.db2.gz FEXUPDWJTYAACB-IUODEOHRSA-N 2 2 341.293 3.278 20 0 EGADLP CCC[C@@H](C(=O)OCC)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309234 324255485 /nfs/dbraw/zinc/25/54/85/324255485.db2.gz GDCUHVBJUGJLQR-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@@H](C(=O)OCC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309234 324255487 /nfs/dbraw/zinc/25/54/87/324255487.db2.gz GDCUHVBJUGJLQR-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@@H](C(=O)OCC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383309234 324255492 /nfs/dbraw/zinc/25/54/92/324255492.db2.gz GDCUHVBJUGJLQR-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@@H](C(=O)OCC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383309234 324255497 /nfs/dbraw/zinc/25/54/97/324255497.db2.gz GDCUHVBJUGJLQR-MOPGFXCFSA-N 2 2 332.488 3.172 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000579727301 325151427 /nfs/dbraw/zinc/15/14/27/325151427.db2.gz FGOFWVQHNADLEK-ZDUSSCGKSA-N 2 2 344.365 3.343 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000579727301 325151430 /nfs/dbraw/zinc/15/14/30/325151430.db2.gz FGOFWVQHNADLEK-ZDUSSCGKSA-N 2 2 344.365 3.343 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4c(C)cccn34)ccc2n1[C@H](C)CO ZINC000580541393 325265080 /nfs/dbraw/zinc/26/50/80/325265080.db2.gz XAEHTPAGASQOMJ-CQSZACIVSA-N 2 2 349.438 3.466 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)s2)cn1 ZINC000580713877 325287768 /nfs/dbraw/zinc/28/77/68/325287768.db2.gz MYUVCNMMQUDQOS-SJORKVTESA-N 2 2 330.501 3.255 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)s2)cn1 ZINC000580713877 325287773 /nfs/dbraw/zinc/28/77/73/325287773.db2.gz MYUVCNMMQUDQOS-SJORKVTESA-N 2 2 330.501 3.255 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960786 325314995 /nfs/dbraw/zinc/31/49/95/325314995.db2.gz WKHKWXDJLRIKPS-ZJUUUORDSA-N 2 2 349.784 3.109 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960786 325314997 /nfs/dbraw/zinc/31/49/97/325314997.db2.gz WKHKWXDJLRIKPS-ZJUUUORDSA-N 2 2 349.784 3.109 20 0 EGADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)Cc1ccc2ccccc2c1 ZINC000582482810 325444907 /nfs/dbraw/zinc/44/49/07/325444907.db2.gz WMIPCZNCWCFJGL-HXUWFJFHSA-N 2 2 335.451 3.066 20 0 EGADLP COCc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000583845081 325555622 /nfs/dbraw/zinc/55/56/22/325555622.db2.gz VCXKJMHDRNODTH-ZDUSSCGKSA-N 2 2 333.451 3.330 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157693344 455221925 /nfs/dbraw/zinc/22/19/25/455221925.db2.gz QBODZYOQQFVMSX-AZUAARDMSA-N 2 2 326.488 3.397 20 0 EGADLP [NH3+]C1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCCCC1 ZINC000237900582 455230432 /nfs/dbraw/zinc/23/04/32/455230432.db2.gz YHEWGWUPBHPFDX-UHFFFAOYSA-N 2 2 338.455 3.487 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)cc12 ZINC000237903805 455232014 /nfs/dbraw/zinc/23/20/14/455232014.db2.gz WTMWXXAJEDFMHV-IBGZPJMESA-N 2 2 349.482 3.031 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000237903805 455232020 /nfs/dbraw/zinc/23/20/20/455232020.db2.gz WTMWXXAJEDFMHV-IBGZPJMESA-N 2 2 349.482 3.031 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(Cl)c1OC ZINC000375940255 458133147 /nfs/dbraw/zinc/13/31/47/458133147.db2.gz FKKCUDVELRJQIA-CQSZACIVSA-N 2 2 326.868 3.273 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc(Cl)c1OC ZINC000375940255 458133153 /nfs/dbraw/zinc/13/31/53/458133153.db2.gz FKKCUDVELRJQIA-CQSZACIVSA-N 2 2 326.868 3.273 20 0 EGADLP Cc1ccsc1C[NH+](C)CC(O)C[N@H+](C)Cc1sccc1C ZINC000447115651 458266498 /nfs/dbraw/zinc/26/64/98/458266498.db2.gz GDLIFGHRFNOXRZ-UHFFFAOYSA-N 2 2 338.542 3.351 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)n1C ZINC000577769182 459093444 /nfs/dbraw/zinc/09/34/44/459093444.db2.gz BRIPDMSZFGVCIU-HNNXBMFYSA-N 2 2 328.243 3.033 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000578146915 459153302 /nfs/dbraw/zinc/15/33/02/459153302.db2.gz INZJLIAARGRTFB-CQSZACIVSA-N 2 2 325.294 3.236 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000578146915 459153308 /nfs/dbraw/zinc/15/33/08/459153308.db2.gz INZJLIAARGRTFB-CQSZACIVSA-N 2 2 325.294 3.236 20 0 EGADLP Cc1[nH+]cc(C[N@H+](CCO)Cc2ccc(C)cc2)n1-c1ccccc1 ZINC000180847035 455254164 /nfs/dbraw/zinc/25/41/64/455254164.db2.gz YSMGTRRXHMCAAT-UHFFFAOYSA-N 2 2 335.451 3.484 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](CCO)Cc2ccc(C)cc2)n1-c1ccccc1 ZINC000180847035 455254166 /nfs/dbraw/zinc/25/41/66/455254166.db2.gz YSMGTRRXHMCAAT-UHFFFAOYSA-N 2 2 335.451 3.484 20 0 EGADLP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000158073678 455266462 /nfs/dbraw/zinc/26/64/62/455266462.db2.gz IJVKLPGLHZUCBC-QWHCGFSZSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Br ZINC000158073678 455266466 /nfs/dbraw/zinc/26/64/66/455266466.db2.gz IJVKLPGLHZUCBC-QWHCGFSZSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000173353680 455271481 /nfs/dbraw/zinc/27/14/81/455271481.db2.gz OZDBUZKCXMNVSY-SFHVURJKSA-N 2 2 340.467 3.248 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631822247 460573307 /nfs/dbraw/zinc/57/33/07/460573307.db2.gz XUBCRXDYMRJBNT-GFCCVEGCSA-N 2 2 339.361 3.402 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631822247 460573313 /nfs/dbraw/zinc/57/33/13/460573313.db2.gz XUBCRXDYMRJBNT-GFCCVEGCSA-N 2 2 339.361 3.402 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)co2)c1 ZINC000631827181 460574891 /nfs/dbraw/zinc/57/48/91/460574891.db2.gz HJOXOHBLXTVKDG-SFHVURJKSA-N 2 2 329.444 3.347 20 0 EGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000158908739 455336513 /nfs/dbraw/zinc/33/65/13/455336513.db2.gz KWQRGRLCGZGYFQ-GOEBONIOSA-N 2 2 340.508 3.291 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245680474 455353650 /nfs/dbraw/zinc/35/36/50/455353650.db2.gz HEVAFKFCCFIERM-QXAKKESOSA-N 2 2 337.552 3.218 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245680474 455353653 /nfs/dbraw/zinc/35/36/53/455353653.db2.gz HEVAFKFCCFIERM-QXAKKESOSA-N 2 2 337.552 3.218 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567689 453888999 /nfs/dbraw/zinc/88/89/99/453888999.db2.gz SKNBKSWDQFLWIM-OALUTQOASA-N 2 2 345.531 3.144 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567689 453889002 /nfs/dbraw/zinc/88/90/02/453889002.db2.gz SKNBKSWDQFLWIM-OALUTQOASA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567689 453889003 /nfs/dbraw/zinc/88/90/03/453889003.db2.gz SKNBKSWDQFLWIM-OALUTQOASA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567689 453889004 /nfs/dbraw/zinc/88/90/04/453889004.db2.gz SKNBKSWDQFLWIM-OALUTQOASA-N 2 2 345.531 3.144 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572714 453889895 /nfs/dbraw/zinc/88/98/95/453889895.db2.gz FYEGJXWEZLIVBM-KRWDZBQOSA-N 2 2 339.483 3.442 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572714 453889898 /nfs/dbraw/zinc/88/98/98/453889898.db2.gz FYEGJXWEZLIVBM-KRWDZBQOSA-N 2 2 339.483 3.442 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572714 453889901 /nfs/dbraw/zinc/88/99/01/453889901.db2.gz FYEGJXWEZLIVBM-KRWDZBQOSA-N 2 2 339.483 3.442 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572714 453889905 /nfs/dbraw/zinc/88/99/05/453889905.db2.gz FYEGJXWEZLIVBM-KRWDZBQOSA-N 2 2 339.483 3.442 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000075836310 453929775 /nfs/dbraw/zinc/92/97/75/453929775.db2.gz JVTDBQRFEQMSGR-HNNXBMFYSA-N 2 2 334.435 3.000 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000075836310 453929778 /nfs/dbraw/zinc/92/97/78/453929778.db2.gz JVTDBQRFEQMSGR-HNNXBMFYSA-N 2 2 334.435 3.000 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860411 453932043 /nfs/dbraw/zinc/93/20/43/453932043.db2.gz QCMGSIWOJFVDJU-HKUYNNGSSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860411 453932045 /nfs/dbraw/zinc/93/20/45/453932045.db2.gz QCMGSIWOJFVDJU-HKUYNNGSSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860411 453932047 /nfs/dbraw/zinc/93/20/47/453932047.db2.gz QCMGSIWOJFVDJU-HKUYNNGSSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860411 453932049 /nfs/dbraw/zinc/93/20/49/453932049.db2.gz QCMGSIWOJFVDJU-HKUYNNGSSA-N 2 2 331.504 3.012 20 0 EGADLP CCCOc1c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cccc1OCC ZINC000067500844 453936136 /nfs/dbraw/zinc/93/61/36/453936136.db2.gz BNEQMZSGUDFASS-MRXNPFEDSA-N 2 2 331.460 3.497 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000076001856 453947764 /nfs/dbraw/zinc/94/77/64/453947764.db2.gz HHQLDFBJQMKKLW-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000076001856 453947766 /nfs/dbraw/zinc/94/77/66/453947766.db2.gz HHQLDFBJQMKKLW-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000076003042 453947895 /nfs/dbraw/zinc/94/78/95/453947895.db2.gz UJWNOVHIOIBKJC-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000076003042 453947896 /nfs/dbraw/zinc/94/78/96/453947896.db2.gz UJWNOVHIOIBKJC-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCc1cc(NC[C@H]2CCC[N@@H+](CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000068694222 454045461 /nfs/dbraw/zinc/04/54/61/454045461.db2.gz CGOXWMFFJANJJY-OAHLLOKOSA-N 2 2 325.460 3.245 20 0 EGADLP CCc1cc(NC[C@H]2CCC[N@H+](CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000068694222 454045466 /nfs/dbraw/zinc/04/54/66/454045466.db2.gz CGOXWMFFJANJJY-OAHLLOKOSA-N 2 2 325.460 3.245 20 0 EGADLP Cn1c(CCC[NH2+]Cc2ccc3c(c2)OCCO3)[nH+]c2ccccc21 ZINC000076901289 454047368 /nfs/dbraw/zinc/04/73/68/454047368.db2.gz VSDZXPZJXIYTDP-UHFFFAOYSA-N 2 2 337.423 3.067 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000057154832 454107259 /nfs/dbraw/zinc/10/72/59/454107259.db2.gz FWCDIEXXSOCRNE-LJQANCHMSA-N 2 2 334.423 3.474 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000057154832 454107260 /nfs/dbraw/zinc/10/72/60/454107260.db2.gz FWCDIEXXSOCRNE-LJQANCHMSA-N 2 2 334.423 3.474 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000057829006 454149976 /nfs/dbraw/zinc/14/99/76/454149976.db2.gz NQECOBLNMITXOO-SFHVURJKSA-N 2 2 336.439 3.147 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000057844185 454152212 /nfs/dbraw/zinc/15/22/12/454152212.db2.gz PLGAVBMTANCWLT-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000057844185 454152213 /nfs/dbraw/zinc/15/22/13/454152213.db2.gz PLGAVBMTANCWLT-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1 ZINC000069847616 454152473 /nfs/dbraw/zinc/15/24/73/454152473.db2.gz NZVHUMVLGYVXJA-OAHLLOKOSA-N 2 2 325.456 3.005 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccno1 ZINC000071115025 454199697 /nfs/dbraw/zinc/19/96/97/454199697.db2.gz JBLOIMDANZICML-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccno1 ZINC000071115025 454199701 /nfs/dbraw/zinc/19/97/01/454199701.db2.gz JBLOIMDANZICML-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634950471 460626857 /nfs/dbraw/zinc/62/68/57/460626857.db2.gz SSVOVVLQQPRJRA-UHFFFAOYSA-N 2 2 331.423 3.468 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccnc3)[nH+]c12 ZINC000095939237 454233568 /nfs/dbraw/zinc/23/35/68/454233568.db2.gz LQFLCQGOCPQWIY-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP CCc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000131171722 454239770 /nfs/dbraw/zinc/23/97/70/454239770.db2.gz HPJWKRRWYONTLU-INIZCTEOSA-N 2 2 328.456 3.353 20 0 EGADLP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)o1 ZINC000131171722 454239775 /nfs/dbraw/zinc/23/97/75/454239775.db2.gz HPJWKRRWYONTLU-INIZCTEOSA-N 2 2 328.456 3.353 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)n2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000071890851 454244513 /nfs/dbraw/zinc/24/45/13/454244513.db2.gz PKBNYKWNVJJBMK-SJORKVTESA-N 2 2 340.471 3.224 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977593 454247472 /nfs/dbraw/zinc/24/74/72/454247472.db2.gz PQGFRBYONUTSSS-QAPCUYQASA-N 2 2 338.854 3.408 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977593 454247476 /nfs/dbraw/zinc/24/74/76/454247476.db2.gz PQGFRBYONUTSSS-QAPCUYQASA-N 2 2 338.854 3.408 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000095980629 454247945 /nfs/dbraw/zinc/24/79/45/454247945.db2.gz GPRHIELMKKSPHD-OCCSQVGLSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000095980629 454247950 /nfs/dbraw/zinc/24/79/50/454247950.db2.gz GPRHIELMKKSPHD-OCCSQVGLSA-N 2 2 339.277 3.043 20 0 EGADLP Cn1c(CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc2ccccc21 ZINC000090050930 454266381 /nfs/dbraw/zinc/26/63/81/454266381.db2.gz IVACZPSRUZJXQB-UHFFFAOYSA-N 2 2 349.482 3.160 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090218519 454294456 /nfs/dbraw/zinc/29/44/56/454294456.db2.gz IALAOPSCNIMFJM-XLIONFOSSA-N 2 2 331.504 3.087 20 0 EGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090218123 454294565 /nfs/dbraw/zinc/29/45/65/454294565.db2.gz ZRLNRIQXOFILCR-JYAXBFRTSA-N 2 2 345.531 3.333 20 0 EGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090218123 454294568 /nfs/dbraw/zinc/29/45/68/454294568.db2.gz ZRLNRIQXOFILCR-JYAXBFRTSA-N 2 2 345.531 3.333 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000131896910 454296751 /nfs/dbraw/zinc/29/67/51/454296751.db2.gz ZKBSMJNFYZIEMR-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1C ZINC000131896910 454296756 /nfs/dbraw/zinc/29/67/56/454296756.db2.gz ZKBSMJNFYZIEMR-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C[C@H]1OC ZINC000090461807 454309095 /nfs/dbraw/zinc/30/90/95/454309095.db2.gz VHHRYDPPBWKQJG-MTFMMBMASA-N 2 2 345.531 3.475 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C[C@H]1OC ZINC000090461807 454309098 /nfs/dbraw/zinc/30/90/98/454309098.db2.gz VHHRYDPPBWKQJG-MTFMMBMASA-N 2 2 345.531 3.475 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132207013 454321094 /nfs/dbraw/zinc/32/10/94/454321094.db2.gz OOQKTHOAMASEGI-NRFANRHFSA-N 2 2 349.478 3.321 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 ZINC000061016536 454324122 /nfs/dbraw/zinc/32/41/22/454324122.db2.gz XCIGZIQPEAKSMZ-OAHLLOKOSA-N 2 2 332.488 3.373 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000266726920 455443575 /nfs/dbraw/zinc/44/35/75/455443575.db2.gz IPNRETVEQBYQSO-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860032 454352984 /nfs/dbraw/zinc/35/29/84/454352984.db2.gz MVIVORFDWMVGLB-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860032 454352987 /nfs/dbraw/zinc/35/29/87/454352987.db2.gz MVIVORFDWMVGLB-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860032 454352989 /nfs/dbraw/zinc/35/29/89/454352989.db2.gz MVIVORFDWMVGLB-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000072860032 454352993 /nfs/dbraw/zinc/35/29/93/454352993.db2.gz MVIVORFDWMVGLB-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860766 454353501 /nfs/dbraw/zinc/35/35/01/454353501.db2.gz OQOIGDKJBAEFKB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860766 454353503 /nfs/dbraw/zinc/35/35/03/454353503.db2.gz OQOIGDKJBAEFKB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860766 454353505 /nfs/dbraw/zinc/35/35/05/454353505.db2.gz OQOIGDKJBAEFKB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000072860766 454353509 /nfs/dbraw/zinc/35/35/09/454353509.db2.gz OQOIGDKJBAEFKB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP c1csc([C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000120943984 454367654 /nfs/dbraw/zinc/36/76/54/454367654.db2.gz DGRFQHYYJUKMFZ-LAQRGFTBSA-N 2 2 332.513 3.432 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc(Cl)c1OC ZINC000062254715 454373113 /nfs/dbraw/zinc/37/31/13/454373113.db2.gz STQYTXDVICBNQA-CYBMUJFWSA-N 2 2 337.851 3.370 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143753 454462579 /nfs/dbraw/zinc/46/25/79/454462579.db2.gz YQCKMYURXLJVCR-FOIQADDNSA-N 2 2 344.886 3.410 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143753 454462583 /nfs/dbraw/zinc/46/25/83/454462583.db2.gz YQCKMYURXLJVCR-FOIQADDNSA-N 2 2 344.886 3.410 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000092043657 454508290 /nfs/dbraw/zinc/50/82/90/454508290.db2.gz SCUUXFUKRXJFDA-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000092043657 454508292 /nfs/dbraw/zinc/50/82/92/454508292.db2.gz SCUUXFUKRXJFDA-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1OC ZINC000092043657 454508295 /nfs/dbraw/zinc/50/82/95/454508295.db2.gz SCUUXFUKRXJFDA-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Cl)c1OC ZINC000092043657 454508297 /nfs/dbraw/zinc/50/82/97/454508297.db2.gz SCUUXFUKRXJFDA-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073849 454515774 /nfs/dbraw/zinc/51/57/74/454515774.db2.gz UDMLHQVDSAGPHF-OAHLLOKOSA-N 2 2 337.427 3.188 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073849 454515781 /nfs/dbraw/zinc/51/57/81/454515781.db2.gz UDMLHQVDSAGPHF-OAHLLOKOSA-N 2 2 337.427 3.188 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000074218442 454546257 /nfs/dbraw/zinc/54/62/57/454546257.db2.gz YNLBBGPAWCBHTD-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246244178 455456827 /nfs/dbraw/zinc/45/68/27/455456827.db2.gz VGHMQIZIKYNABG-HOTGVXAUSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246244178 455456831 /nfs/dbraw/zinc/45/68/31/455456831.db2.gz VGHMQIZIKYNABG-HOTGVXAUSA-N 2 2 347.528 3.153 20 0 EGADLP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000634990927 460642834 /nfs/dbraw/zinc/64/28/34/460642834.db2.gz IHXBYOHRSWRYEY-NHCUHLMSSA-N 2 2 336.483 3.437 20 0 EGADLP Nc1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000634990927 460642837 /nfs/dbraw/zinc/64/28/37/460642837.db2.gz IHXBYOHRSWRYEY-NHCUHLMSSA-N 2 2 336.483 3.437 20 0 EGADLP CCc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134898203 454604745 /nfs/dbraw/zinc/60/47/45/454604745.db2.gz WLVQKSYOAMCCOP-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134898203 454604750 /nfs/dbraw/zinc/60/47/50/454604750.db2.gz WLVQKSYOAMCCOP-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134898203 454604754 /nfs/dbraw/zinc/60/47/54/454604754.db2.gz WLVQKSYOAMCCOP-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134898203 454604758 /nfs/dbraw/zinc/60/47/58/454604758.db2.gz WLVQKSYOAMCCOP-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134938750 454614544 /nfs/dbraw/zinc/61/45/44/454614544.db2.gz KJEWKMRAWGQLGV-MJGOQNOKSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134938750 454614547 /nfs/dbraw/zinc/61/45/47/454614547.db2.gz KJEWKMRAWGQLGV-MJGOQNOKSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134938750 454614551 /nfs/dbraw/zinc/61/45/51/454614551.db2.gz KJEWKMRAWGQLGV-MJGOQNOKSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134938750 454614553 /nfs/dbraw/zinc/61/45/53/454614553.db2.gz KJEWKMRAWGQLGV-MJGOQNOKSA-N 2 2 341.499 3.191 20 0 EGADLP CCn1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2c1cccc2F ZINC000080961047 454659116 /nfs/dbraw/zinc/65/91/16/454659116.db2.gz BBZODENKXVPCME-ZDUSSCGKSA-N 2 2 327.407 3.298 20 0 EGADLP CCn1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2c1cccc2F ZINC000080961047 454659118 /nfs/dbraw/zinc/65/91/18/454659118.db2.gz BBZODENKXVPCME-ZDUSSCGKSA-N 2 2 327.407 3.298 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984992 454666063 /nfs/dbraw/zinc/66/60/63/454666063.db2.gz DZJFNYOAWKFJQF-KBPBESRZSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984992 454666068 /nfs/dbraw/zinc/66/60/68/454666068.db2.gz DZJFNYOAWKFJQF-KBPBESRZSA-N 2 2 344.484 3.338 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106531906 454699677 /nfs/dbraw/zinc/69/96/77/454699677.db2.gz PJNWTRTXFNLTHG-IAGOWNOFSA-N 2 2 347.507 3.158 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106531906 454699682 /nfs/dbraw/zinc/69/96/82/454699682.db2.gz PJNWTRTXFNLTHG-IAGOWNOFSA-N 2 2 347.507 3.158 20 0 EGADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCO2 ZINC000152773832 454723791 /nfs/dbraw/zinc/72/37/91/454723791.db2.gz QUTMFXSYPXJJOA-GOSISDBHSA-N 2 2 325.456 3.438 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866310 454741150 /nfs/dbraw/zinc/74/11/50/454741150.db2.gz BPGRQKOTCGZWMK-FQEVSTJZSA-N 2 2 342.439 3.150 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866310 454741154 /nfs/dbraw/zinc/74/11/54/454741154.db2.gz BPGRQKOTCGZWMK-FQEVSTJZSA-N 2 2 342.439 3.150 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635008377 460652143 /nfs/dbraw/zinc/65/21/43/460652143.db2.gz JNDIANOMTLFGHY-JQWIXIFHSA-N 2 2 336.785 3.215 20 0 EGADLP CN(C(=O)c1ccsc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124657373 454757791 /nfs/dbraw/zinc/75/77/91/454757791.db2.gz SEDTUHJQXLZUSL-ROUUACIJSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1ccsc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124657373 454757795 /nfs/dbraw/zinc/75/77/95/454757795.db2.gz SEDTUHJQXLZUSL-ROUUACIJSA-N 2 2 349.544 3.157 20 0 EGADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)Sc2sccc21)C[NH+]1CCOCC1 ZINC000153189863 454768872 /nfs/dbraw/zinc/76/88/72/454768872.db2.gz OJCIZUXACHOLIR-VNHYZAJKSA-N 2 2 326.531 3.231 20 0 EGADLP CC(C)CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124861053 454776834 /nfs/dbraw/zinc/77/68/34/454776834.db2.gz YMAXYKRSGRHPCX-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124861053 454776836 /nfs/dbraw/zinc/77/68/36/454776836.db2.gz YMAXYKRSGRHPCX-OALUTQOASA-N 2 2 337.552 3.218 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124882818 454779075 /nfs/dbraw/zinc/77/90/75/454779075.db2.gz YRKFFEHDZOQCSD-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124882818 454779077 /nfs/dbraw/zinc/77/90/77/454779077.db2.gz YRKFFEHDZOQCSD-PMACEKPBSA-N 2 2 349.563 3.362 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139865549 454812497 /nfs/dbraw/zinc/81/24/97/454812497.db2.gz OZHLVIWPZODFQP-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139865549 454812501 /nfs/dbraw/zinc/81/25/01/454812501.db2.gz OZHLVIWPZODFQP-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139865549 454812506 /nfs/dbraw/zinc/81/25/06/454812506.db2.gz OZHLVIWPZODFQP-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139865549 454812509 /nfs/dbraw/zinc/81/25/09/454812509.db2.gz OZHLVIWPZODFQP-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000153772140 454831195 /nfs/dbraw/zinc/83/11/95/454831195.db2.gz QCZMCIZNBXBYJA-CYBMUJFWSA-N 2 2 327.538 3.368 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000153772140 454831199 /nfs/dbraw/zinc/83/11/99/454831199.db2.gz QCZMCIZNBXBYJA-CYBMUJFWSA-N 2 2 327.538 3.368 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000153787910 454832883 /nfs/dbraw/zinc/83/28/83/454832883.db2.gz LGXOAKNAMRYJDW-HNNXBMFYSA-N 2 2 333.501 3.429 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000153787910 454832885 /nfs/dbraw/zinc/83/28/85/454832885.db2.gz LGXOAKNAMRYJDW-HNNXBMFYSA-N 2 2 333.501 3.429 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793719 454836505 /nfs/dbraw/zinc/83/65/05/454836505.db2.gz KKWIJULZYTZBCE-MRXNPFEDSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000109792217 454837327 /nfs/dbraw/zinc/83/73/27/454837327.db2.gz YMWKIJDHQYUEEN-QGZVFWFLSA-N 2 2 340.471 3.014 20 0 EGADLP CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000163336344 454839976 /nfs/dbraw/zinc/83/99/76/454839976.db2.gz PVHKTYYHOATRTF-UONOGXRCSA-N 2 2 349.504 3.072 20 0 EGADLP CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000163336344 454839980 /nfs/dbraw/zinc/83/99/80/454839980.db2.gz PVHKTYYHOATRTF-UONOGXRCSA-N 2 2 349.504 3.072 20 0 EGADLP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112635365 454893374 /nfs/dbraw/zinc/89/33/74/454893374.db2.gz ARSUBDUCMBGKKO-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000154574660 454909070 /nfs/dbraw/zinc/90/90/70/454909070.db2.gz ZZYCBPPOZVLVTN-KRWDZBQOSA-N 2 2 346.500 3.231 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000154574660 454909072 /nfs/dbraw/zinc/90/90/72/454909072.db2.gz ZZYCBPPOZVLVTN-KRWDZBQOSA-N 2 2 346.500 3.231 20 0 EGADLP CC(C)[NH2+]CCC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000168581233 454926577 /nfs/dbraw/zinc/92/65/77/454926577.db2.gz IEMPDBPLNSPLEI-UHFFFAOYSA-N 2 2 346.500 3.102 20 0 EGADLP CC(C)[NH2+]CCC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000168581233 454926580 /nfs/dbraw/zinc/92/65/80/454926580.db2.gz IEMPDBPLNSPLEI-UHFFFAOYSA-N 2 2 346.500 3.102 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1)C1CC1 ZINC000155017057 454953568 /nfs/dbraw/zinc/95/35/68/454953568.db2.gz OSTSWSLFYWIMNW-UHFFFAOYSA-N 2 2 340.471 3.030 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1)C1CC1 ZINC000155017057 454953570 /nfs/dbraw/zinc/95/35/70/454953570.db2.gz OSTSWSLFYWIMNW-UHFFFAOYSA-N 2 2 340.471 3.030 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781748 455044837 /nfs/dbraw/zinc/04/48/37/455044837.db2.gz MQGGTLCUMIKFJS-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781748 455044841 /nfs/dbraw/zinc/04/48/41/455044841.db2.gz MQGGTLCUMIKFJS-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781748 455044846 /nfs/dbraw/zinc/04/48/46/455044846.db2.gz MQGGTLCUMIKFJS-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781748 455044848 /nfs/dbraw/zinc/04/48/48/455044848.db2.gz MQGGTLCUMIKFJS-KSSFIOAISA-N 2 2 346.425 3.067 20 0 EGADLP Cc1cc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc[nH+]1 ZINC000179815028 455083864 /nfs/dbraw/zinc/08/38/64/455083864.db2.gz YXSJBRPAAZIYNT-UHFFFAOYSA-N 2 2 338.455 3.219 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000156145927 455086832 /nfs/dbraw/zinc/08/68/32/455086832.db2.gz JAIVSUIDZGMEFO-DGCLKSJQSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000156145927 455086834 /nfs/dbraw/zinc/08/68/34/455086834.db2.gz JAIVSUIDZGMEFO-DGCLKSJQSA-N 2 2 327.266 3.030 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccncc3)CC2)c1 ZINC000156422207 455117128 /nfs/dbraw/zinc/11/71/28/455117128.db2.gz SQEBOWYTPZHRPB-LJQANCHMSA-N 2 2 338.499 3.253 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156505166 455126019 /nfs/dbraw/zinc/12/60/19/455126019.db2.gz UWTWSCSYNBLAGQ-PBHICJAKSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156505166 455126025 /nfs/dbraw/zinc/12/60/25/455126025.db2.gz UWTWSCSYNBLAGQ-PBHICJAKSA-N 2 2 346.862 3.448 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]CCCn3c(C)[nH+]c4ccccc43)cc12 ZINC000237765112 455215384 /nfs/dbraw/zinc/21/53/84/455215384.db2.gz LZIIPYQWMZLNRL-UHFFFAOYSA-N 2 2 348.454 3.115 20 0 EGADLP CC[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181068983 455283172 /nfs/dbraw/zinc/28/31/72/455283172.db2.gz MQHPQROYWCWOIF-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP CC[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181068983 455283176 /nfs/dbraw/zinc/28/31/76/455283176.db2.gz MQHPQROYWCWOIF-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP Cc1ccsc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312483 455295923 /nfs/dbraw/zinc/29/59/23/455295923.db2.gz HXUYWXRLAWMMHJ-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccsc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312483 455295928 /nfs/dbraw/zinc/29/59/28/455295928.db2.gz HXUYWXRLAWMMHJ-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccsc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190312483 455295931 /nfs/dbraw/zinc/29/59/31/455295931.db2.gz HXUYWXRLAWMMHJ-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccsc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190312483 455295935 /nfs/dbraw/zinc/29/59/35/455295935.db2.gz HXUYWXRLAWMMHJ-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000245445079 455303624 /nfs/dbraw/zinc/30/36/24/455303624.db2.gz KBCXLCPJZAASSR-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000245445079 455303628 /nfs/dbraw/zinc/30/36/28/455303628.db2.gz KBCXLCPJZAASSR-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000245445079 455303633 /nfs/dbraw/zinc/30/36/33/455303633.db2.gz KBCXLCPJZAASSR-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000245445079 455303638 /nfs/dbraw/zinc/30/36/38/455303638.db2.gz KBCXLCPJZAASSR-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245460255 455306999 /nfs/dbraw/zinc/30/69/99/455306999.db2.gz VQYINFXYAGYYPZ-UYAOXDASSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245460255 455307000 /nfs/dbraw/zinc/30/70/00/455307000.db2.gz VQYINFXYAGYYPZ-UYAOXDASSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245460255 455307003 /nfs/dbraw/zinc/30/70/03/455307003.db2.gz VQYINFXYAGYYPZ-UYAOXDASSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245460255 455307004 /nfs/dbraw/zinc/30/70/04/455307004.db2.gz VQYINFXYAGYYPZ-UYAOXDASSA-N 2 2 345.531 3.148 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173896092 455338587 /nfs/dbraw/zinc/33/85/87/455338587.db2.gz MWIFIZPNEVUTFP-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173896092 455338593 /nfs/dbraw/zinc/33/85/93/455338593.db2.gz MWIFIZPNEVUTFP-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173896092 455338600 /nfs/dbraw/zinc/33/86/00/455338600.db2.gz MWIFIZPNEVUTFP-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173896092 455338608 /nfs/dbraw/zinc/33/86/08/455338608.db2.gz MWIFIZPNEVUTFP-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265556818 455342197 /nfs/dbraw/zinc/34/21/97/455342197.db2.gz ZSBMOSXUOFRNGM-UHFFFAOYSA-N 2 2 332.835 3.190 20 0 EGADLP Brc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)s1 ZINC000190572225 455346483 /nfs/dbraw/zinc/34/64/83/455346483.db2.gz SNMXTJPKXNNWRE-ZDUSSCGKSA-N 2 2 326.263 3.448 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000174216321 455370853 /nfs/dbraw/zinc/37/08/53/455370853.db2.gz UGOWICBYTJPYLY-MRXNPFEDSA-N 2 2 329.492 3.176 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000174216321 455370858 /nfs/dbraw/zinc/37/08/58/455370858.db2.gz UGOWICBYTJPYLY-MRXNPFEDSA-N 2 2 329.492 3.176 20 0 EGADLP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000181679381 455371037 /nfs/dbraw/zinc/37/10/37/455371037.db2.gz PEBYZQVNTMBXEZ-IBGZPJMESA-N 2 2 349.563 3.221 20 0 EGADLP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000181679381 455371040 /nfs/dbraw/zinc/37/10/40/455371040.db2.gz PEBYZQVNTMBXEZ-IBGZPJMESA-N 2 2 349.563 3.221 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093732 455425117 /nfs/dbraw/zinc/42/51/17/455425117.db2.gz AAABUTHPLDMIDU-HZPDHXFCSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093732 455425123 /nfs/dbraw/zinc/42/51/23/455425123.db2.gz AAABUTHPLDMIDU-HZPDHXFCSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093732 455425129 /nfs/dbraw/zinc/42/51/29/455425129.db2.gz AAABUTHPLDMIDU-HZPDHXFCSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000246093732 455425136 /nfs/dbraw/zinc/42/51/36/455425136.db2.gz AAABUTHPLDMIDU-HZPDHXFCSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1C(C)(C)C ZINC000191155275 455454720 /nfs/dbraw/zinc/45/47/20/455454720.db2.gz UVNCNLHHNKIOQO-CQSZACIVSA-N 2 2 325.460 3.488 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266922728 455476300 /nfs/dbraw/zinc/47/63/00/455476300.db2.gz MKCXBYMLNMBRCH-GDBMZVCRSA-N 2 2 337.427 3.324 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266922728 455476305 /nfs/dbraw/zinc/47/63/05/455476305.db2.gz MKCXBYMLNMBRCH-GDBMZVCRSA-N 2 2 337.427 3.324 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000266927597 455476801 /nfs/dbraw/zinc/47/68/01/455476801.db2.gz NTEZWEQLCWKWHA-CJNGLKHVSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000266927597 455476804 /nfs/dbraw/zinc/47/68/04/455476804.db2.gz NTEZWEQLCWKWHA-CJNGLKHVSA-N 2 2 344.846 3.048 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@](C)(Cc3ccccc3)[C@@H](C)O)n2c1 ZINC000191717810 455513041 /nfs/dbraw/zinc/51/30/41/455513041.db2.gz ZYZSXDBEDAOLAO-UTKZUKDTSA-N 2 2 337.467 3.362 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000185200337 455520813 /nfs/dbraw/zinc/52/08/13/455520813.db2.gz CGDUQZYHWKQQKB-MOPGFXCFSA-N 2 2 331.504 3.228 20 0 EGADLP CCCC[C@@H](COC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191831472 455523865 /nfs/dbraw/zinc/52/38/65/455523865.db2.gz KYYGYUWMVZRXSM-PMACEKPBSA-N 2 2 334.504 3.072 20 0 EGADLP CCCC[C@@H](COC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191831472 455523870 /nfs/dbraw/zinc/52/38/70/455523870.db2.gz KYYGYUWMVZRXSM-PMACEKPBSA-N 2 2 334.504 3.072 20 0 EGADLP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182517047 455530954 /nfs/dbraw/zinc/53/09/54/455530954.db2.gz RKSSYGAAMFXKAW-KSSFIOAISA-N 2 2 326.431 3.364 20 0 EGADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000192074001 455552789 /nfs/dbraw/zinc/55/27/89/455552789.db2.gz ORDDMGGWIGGCGG-CVEARBPZSA-N 2 2 346.523 3.046 20 0 EGADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000192074001 455552793 /nfs/dbraw/zinc/55/27/93/455552793.db2.gz ORDDMGGWIGGCGG-CVEARBPZSA-N 2 2 346.523 3.046 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110057 455560477 /nfs/dbraw/zinc/56/04/77/455560477.db2.gz SZYAFEFTXKDPKB-SFHLNBCPSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110057 455560479 /nfs/dbraw/zinc/56/04/79/455560479.db2.gz SZYAFEFTXKDPKB-SFHLNBCPSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110057 455560481 /nfs/dbraw/zinc/56/04/81/455560481.db2.gz SZYAFEFTXKDPKB-SFHLNBCPSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110057 455560482 /nfs/dbraw/zinc/56/04/82/455560482.db2.gz SZYAFEFTXKDPKB-SFHLNBCPSA-N 3 2 344.547 3.002 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000247124334 455563465 /nfs/dbraw/zinc/56/34/65/455563465.db2.gz DTHSVPKVSAVVJW-LMCOJAPRSA-N 2 2 346.540 3.151 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000247124334 455563467 /nfs/dbraw/zinc/56/34/67/455563467.db2.gz DTHSVPKVSAVVJW-LMCOJAPRSA-N 2 2 346.540 3.151 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000247194826 455571117 /nfs/dbraw/zinc/57/11/17/455571117.db2.gz ZQBPONGTPBEZQF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000247194826 455571120 /nfs/dbraw/zinc/57/11/20/455571120.db2.gz ZQBPONGTPBEZQF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000247194826 455571123 /nfs/dbraw/zinc/57/11/23/455571123.db2.gz ZQBPONGTPBEZQF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000247194826 455571127 /nfs/dbraw/zinc/57/11/27/455571127.db2.gz ZQBPONGTPBEZQF-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000247297564 455584751 /nfs/dbraw/zinc/58/47/51/455584751.db2.gz OKHBVFOPDXQGFI-HOTGVXAUSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000247297564 455584755 /nfs/dbraw/zinc/58/47/55/455584755.db2.gz OKHBVFOPDXQGFI-HOTGVXAUSA-N 2 2 334.460 3.243 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350565 455591026 /nfs/dbraw/zinc/59/10/26/455591026.db2.gz PAVIMRVKXWPJLX-QUCCMNQESA-N 2 2 345.531 3.087 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350565 455591030 /nfs/dbraw/zinc/59/10/30/455591030.db2.gz PAVIMRVKXWPJLX-QUCCMNQESA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350565 455591032 /nfs/dbraw/zinc/59/10/32/455591032.db2.gz PAVIMRVKXWPJLX-QUCCMNQESA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000247350565 455591034 /nfs/dbraw/zinc/59/10/34/455591034.db2.gz PAVIMRVKXWPJLX-QUCCMNQESA-N 2 2 345.531 3.087 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H](c1ccccc1)[NH+](C)C ZINC000185677417 455594130 /nfs/dbraw/zinc/59/41/30/455594130.db2.gz DSLJEPBJZGJBPA-QRWLVFNGSA-N 2 2 326.440 3.239 20 0 EGADLP Cc1nc(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192356108 455595473 /nfs/dbraw/zinc/59/54/73/455595473.db2.gz VGILKHGYUOILAF-SFHVURJKSA-N 2 2 345.512 3.141 20 0 EGADLP Cc1nc(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000192356108 455595476 /nfs/dbraw/zinc/59/54/76/455595476.db2.gz VGILKHGYUOILAF-SFHVURJKSA-N 2 2 345.512 3.141 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247493335 455612349 /nfs/dbraw/zinc/61/23/49/455612349.db2.gz ZSQVHRMSEVNVAJ-CLHYHVNLSA-N 2 2 347.506 3.468 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247493335 455612358 /nfs/dbraw/zinc/61/23/58/455612358.db2.gz ZSQVHRMSEVNVAJ-CLHYHVNLSA-N 2 2 347.506 3.468 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000192437492 455614810 /nfs/dbraw/zinc/61/48/10/455614810.db2.gz RQKOSHAPMVRHQH-UYSNPLJNSA-N 2 2 336.501 3.206 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247523374 455617891 /nfs/dbraw/zinc/61/78/91/455617891.db2.gz NQDHSCOFULJAFH-MJGOQNOKSA-N 2 2 335.536 3.045 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247523374 455617897 /nfs/dbraw/zinc/61/78/97/455617897.db2.gz NQDHSCOFULJAFH-MJGOQNOKSA-N 2 2 335.536 3.045 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000247659865 455635348 /nfs/dbraw/zinc/63/53/48/455635348.db2.gz XLBZMWVRCNRPEW-LRDDRELGSA-N 2 2 346.500 3.391 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000247659865 455635350 /nfs/dbraw/zinc/63/53/50/455635350.db2.gz XLBZMWVRCNRPEW-LRDDRELGSA-N 2 2 346.500 3.391 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000247942509 455658182 /nfs/dbraw/zinc/65/81/82/455658182.db2.gz GMVRWVITUPEGGL-OCCSQVGLSA-N 2 2 328.403 3.432 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000247942509 455658187 /nfs/dbraw/zinc/65/81/87/455658187.db2.gz GMVRWVITUPEGGL-OCCSQVGLSA-N 2 2 328.403 3.432 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248179715 455695965 /nfs/dbraw/zinc/69/59/65/455695965.db2.gz WESYGGOQZNJSMR-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248179715 455695968 /nfs/dbraw/zinc/69/59/68/455695968.db2.gz WESYGGOQZNJSMR-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248179715 455695972 /nfs/dbraw/zinc/69/59/72/455695972.db2.gz WESYGGOQZNJSMR-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248179715 455695974 /nfs/dbraw/zinc/69/59/74/455695974.db2.gz WESYGGOQZNJSMR-MPGHIAIKSA-N 2 2 347.528 3.152 20 0 EGADLP CSC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562335 455697421 /nfs/dbraw/zinc/69/74/21/455697421.db2.gz ZKPQUKXKQIFVHB-IAGOWNOFSA-N 2 2 347.528 3.089 20 0 EGADLP CSC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562335 455697427 /nfs/dbraw/zinc/69/74/27/455697427.db2.gz ZKPQUKXKQIFVHB-IAGOWNOFSA-N 2 2 347.528 3.089 20 0 EGADLP CSC[C@H]1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562337 455697881 /nfs/dbraw/zinc/69/78/81/455697881.db2.gz ZKPQUKXKQIFVHB-IRXDYDNUSA-N 2 2 347.528 3.089 20 0 EGADLP CSC[C@H]1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562337 455697885 /nfs/dbraw/zinc/69/78/85/455697885.db2.gz ZKPQUKXKQIFVHB-IRXDYDNUSA-N 2 2 347.528 3.089 20 0 EGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000271636715 455707162 /nfs/dbraw/zinc/70/71/62/455707162.db2.gz QOQPYBCGJORYRK-LJQANCHMSA-N 2 2 345.874 3.023 20 0 EGADLP COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000268899382 455723126 /nfs/dbraw/zinc/72/31/26/455723126.db2.gz KUMOQZGLIFOIRB-MGPUTAFESA-N 2 2 337.423 3.265 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000268899552 455723399 /nfs/dbraw/zinc/72/33/99/455723399.db2.gz QQEQLKHBYPLXQS-LPHOPBHVSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000268899552 455723406 /nfs/dbraw/zinc/72/34/06/455723406.db2.gz QQEQLKHBYPLXQS-LPHOPBHVSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735740 455733970 /nfs/dbraw/zinc/73/39/70/455733970.db2.gz CZJNTOLYOZATPN-GGPKGHCWSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284735740 455733977 /nfs/dbraw/zinc/73/39/77/455733977.db2.gz CZJNTOLYOZATPN-GGPKGHCWSA-N 2 2 340.471 3.173 20 0 EGADLP CC(C)[NH+](Cc1ccco1)CC(O)C[N@H+](Cc1ccco1)C(C)C ZINC000278013972 455734780 /nfs/dbraw/zinc/73/47/80/455734780.db2.gz BZJOTMIGAUXAAM-UHFFFAOYSA-N 2 2 334.460 3.355 20 0 EGADLP CC(C)[NH+](Cc1ccco1)CC(O)C[N@@H+](Cc1ccco1)C(C)C ZINC000278013972 455734787 /nfs/dbraw/zinc/73/47/87/455734787.db2.gz BZJOTMIGAUXAAM-UHFFFAOYSA-N 2 2 334.460 3.355 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938764 455737186 /nfs/dbraw/zinc/73/71/86/455737186.db2.gz SDQXPWKAGPQSIX-IAGOWNOFSA-N 2 2 343.437 3.382 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938764 455737192 /nfs/dbraw/zinc/73/71/92/455737192.db2.gz SDQXPWKAGPQSIX-IAGOWNOFSA-N 2 2 343.437 3.382 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000249390056 455752756 /nfs/dbraw/zinc/75/27/56/455752756.db2.gz FQWFQZBSUNZTMJ-YLJYHZDGSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000249390056 455752762 /nfs/dbraw/zinc/75/27/62/455752762.db2.gz FQWFQZBSUNZTMJ-YLJYHZDGSA-N 2 2 338.499 3.290 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000249575798 455762631 /nfs/dbraw/zinc/76/26/31/455762631.db2.gz MPLGIXRHOFDTIU-APWZRJJASA-N 2 2 332.488 3.019 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000249575798 455762633 /nfs/dbraw/zinc/76/26/33/455762633.db2.gz MPLGIXRHOFDTIU-APWZRJJASA-N 2 2 332.488 3.019 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269020437 455765611 /nfs/dbraw/zinc/76/56/11/455765611.db2.gz PMBLWUNTZGLHHT-OLZOCXBDSA-N 2 2 335.883 3.220 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024952 455766759 /nfs/dbraw/zinc/76/67/59/455766759.db2.gz REBKNTLXHLPZRR-REHHDOPLSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024952 455766763 /nfs/dbraw/zinc/76/67/63/455766763.db2.gz REBKNTLXHLPZRR-REHHDOPLSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269033080 455768458 /nfs/dbraw/zinc/76/84/58/455768458.db2.gz SAPYEYFVZNJKKQ-IIAWOOMASA-N 2 2 330.394 3.064 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269033080 455768461 /nfs/dbraw/zinc/76/84/61/455768461.db2.gz SAPYEYFVZNJKKQ-IIAWOOMASA-N 2 2 330.394 3.064 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269033087 455769478 /nfs/dbraw/zinc/76/94/78/455769478.db2.gz SAPYEYFVZNJKKQ-SQWLQELKSA-N 2 2 330.394 3.064 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269033087 455769481 /nfs/dbraw/zinc/76/94/81/455769481.db2.gz SAPYEYFVZNJKKQ-SQWLQELKSA-N 2 2 330.394 3.064 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ncccc2C)C(C)C)CC1 ZINC000271812115 455769982 /nfs/dbraw/zinc/76/99/82/455769982.db2.gz NOJINGJSYIWJTD-IBGZPJMESA-N 2 2 347.503 3.094 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000186457464 455772929 /nfs/dbraw/zinc/77/29/29/455772929.db2.gz MDVLXDNIKWYJRO-BEFAXECRSA-N 2 2 326.440 3.254 20 0 EGADLP CS[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269056111 455776744 /nfs/dbraw/zinc/77/67/44/455776744.db2.gz ZBTPDSFSXYPGLG-DYVFJYSZSA-N 2 2 342.936 3.006 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000271853063 455786859 /nfs/dbraw/zinc/78/68/59/455786859.db2.gz WRXHGDXAVLGVII-OAQYLSRUSA-N 2 2 344.499 3.453 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)nc1 ZINC000272034743 455827730 /nfs/dbraw/zinc/82/77/30/455827730.db2.gz XDTISZYCSJGSJK-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)nc1 ZINC000272034743 455827735 /nfs/dbraw/zinc/82/77/35/455827735.db2.gz XDTISZYCSJGSJK-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000285476763 455853785 /nfs/dbraw/zinc/85/37/85/455853785.db2.gz BAXFAVVQLDDXAS-UHFFFAOYSA-N 2 2 330.472 3.218 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3o2)[C@H](C)C1 ZINC000187018679 455863072 /nfs/dbraw/zinc/86/30/72/455863072.db2.gz KFJFQGIAOKLTJG-CVEARBPZSA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccccc3o2)[C@H](C)C1 ZINC000187018679 455863077 /nfs/dbraw/zinc/86/30/77/455863077.db2.gz KFJFQGIAOKLTJG-CVEARBPZSA-N 2 2 331.460 3.054 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261770161 455944394 /nfs/dbraw/zinc/94/43/94/455944394.db2.gz VWGCSILMYCVGCN-TZMCWYRMSA-N 2 2 328.287 3.034 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000261776282 455946179 /nfs/dbraw/zinc/94/61/79/455946179.db2.gz MRNDQGKZVFKHFT-MRXNPFEDSA-N 2 2 349.276 3.010 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000261776282 455946186 /nfs/dbraw/zinc/94/61/86/455946186.db2.gz MRNDQGKZVFKHFT-MRXNPFEDSA-N 2 2 349.276 3.010 20 0 EGADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000272442058 455952869 /nfs/dbraw/zinc/95/28/69/455952869.db2.gz RGJBIHJTRSKUJI-UHFFFAOYSA-N 2 2 330.428 3.008 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000285993198 455955731 /nfs/dbraw/zinc/95/57/31/455955731.db2.gz IETMBZHRGJSYAC-CYBMUJFWSA-N 2 2 333.457 3.473 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280370360 455956917 /nfs/dbraw/zinc/95/69/17/455956917.db2.gz VIZKORTZINBBSD-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280370360 455956922 /nfs/dbraw/zinc/95/69/22/455956922.db2.gz VIZKORTZINBBSD-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP C[N@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)Cc1ccccc1 ZINC000187817946 455956958 /nfs/dbraw/zinc/95/69/58/455956958.db2.gz YKNCDVCOIHYKLE-LJQANCHMSA-N 2 2 338.430 3.360 20 0 EGADLP C[N@@H+](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)Cc1ccccc1 ZINC000187817946 455956963 /nfs/dbraw/zinc/95/69/63/455956963.db2.gz YKNCDVCOIHYKLE-LJQANCHMSA-N 2 2 338.430 3.360 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1OC ZINC000272485887 455966997 /nfs/dbraw/zinc/96/69/97/455966997.db2.gz BRQUGTVLZTWBLT-UHFFFAOYSA-N 2 2 346.393 3.210 20 0 EGADLP CN(C)c1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272548372 455990840 /nfs/dbraw/zinc/99/08/40/455990840.db2.gz LSOGWSFZNIXRCH-UHFFFAOYSA-N 2 2 329.410 3.259 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614261 456015022 /nfs/dbraw/zinc/01/50/22/456015022.db2.gz KWHONDFEFAKOOF-CABCVRRESA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614261 456015027 /nfs/dbraw/zinc/01/50/27/456015027.db2.gz KWHONDFEFAKOOF-CABCVRRESA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000286385752 456036941 /nfs/dbraw/zinc/03/69/41/456036941.db2.gz OSGGSGHNXZTNET-KGLIPLIRSA-N 2 2 331.847 3.188 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000280823357 456059864 /nfs/dbraw/zinc/05/98/64/456059864.db2.gz IXGURPGHWLKWHO-HNNXBMFYSA-N 2 2 344.330 3.152 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000280823357 456059870 /nfs/dbraw/zinc/05/98/70/456059870.db2.gz IXGURPGHWLKWHO-HNNXBMFYSA-N 2 2 344.330 3.152 20 0 EGADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cs1 ZINC000301261673 456074111 /nfs/dbraw/zinc/07/41/11/456074111.db2.gz LMWDXUPIXZKKQW-UHFFFAOYSA-N 2 2 342.443 3.461 20 0 EGADLP CN(CC[N@H+](C)Cc1ccccc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000297154213 456135206 /nfs/dbraw/zinc/13/52/06/456135206.db2.gz OKNQIFIFIICSHL-UHFFFAOYSA-N 2 2 340.393 3.009 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccccc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000297154213 456135213 /nfs/dbraw/zinc/13/52/13/456135213.db2.gz OKNQIFIFIICSHL-UHFFFAOYSA-N 2 2 340.393 3.009 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000281122355 456139498 /nfs/dbraw/zinc/13/94/98/456139498.db2.gz HMXZJAJOAQFVHM-UHFFFAOYSA-N 2 2 344.858 3.202 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263645325 456179627 /nfs/dbraw/zinc/17/96/27/456179627.db2.gz AMQXOWSACXJJRJ-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263645325 456179632 /nfs/dbraw/zinc/17/96/32/456179632.db2.gz AMQXOWSACXJJRJ-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000333218490 456179798 /nfs/dbraw/zinc/17/97/98/456179798.db2.gz VLFUEJJDJKXENZ-TWRCCJGTSA-N 2 2 344.503 3.029 20 0 EGADLP CC(C)c1cc(N2CC[NH+](Cc3ccncc3)CC2)nc(C(C)C)[nH+]1 ZINC000301826056 456226317 /nfs/dbraw/zinc/22/63/17/456226317.db2.gz OUSASRCPNATETC-UHFFFAOYSA-N 2 2 339.487 3.441 20 0 EGADLP c1ccc(C[N@H+]2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301841978 456229671 /nfs/dbraw/zinc/22/96/71/456229671.db2.gz ZHIWGSZJLYTDAX-UHFFFAOYSA-N 2 2 337.471 3.011 20 0 EGADLP c1ccc(C[N@@H+]2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301841978 456229676 /nfs/dbraw/zinc/22/96/76/456229676.db2.gz ZHIWGSZJLYTDAX-UHFFFAOYSA-N 2 2 337.471 3.011 20 0 EGADLP COc1cccc([C@@H](C)[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000301851727 456232637 /nfs/dbraw/zinc/23/26/37/456232637.db2.gz BKKBLLRQORAFNB-OAHLLOKOSA-N 2 2 336.439 3.455 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000237167992 456241488 /nfs/dbraw/zinc/24/14/88/456241488.db2.gz SIQPNPHVKGGXII-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CC[NH+]1CCN(Cc2ccccc2CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301898171 456246545 /nfs/dbraw/zinc/24/65/45/456246545.db2.gz WOOFVUJWRQOROW-UHFFFAOYSA-N 2 2 349.482 3.313 20 0 EGADLP CCN1CC[NH+](Cc2ccccc2CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301898171 456246549 /nfs/dbraw/zinc/24/65/49/456246549.db2.gz WOOFVUJWRQOROW-UHFFFAOYSA-N 2 2 349.482 3.313 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903223 456247069 /nfs/dbraw/zinc/24/70/69/456247069.db2.gz XCIWUPYFBSDUHJ-AWEZNQCLSA-N 2 2 330.480 3.114 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903223 456247075 /nfs/dbraw/zinc/24/70/75/456247075.db2.gz XCIWUPYFBSDUHJ-AWEZNQCLSA-N 2 2 330.480 3.114 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000290137416 456249872 /nfs/dbraw/zinc/24/98/72/456249872.db2.gz VMUCFXXIDPNPER-UHFFFAOYSA-N 2 2 338.430 3.242 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H]1SC ZINC000297609224 456262604 /nfs/dbraw/zinc/26/26/04/456262604.db2.gz KNASSGQHAVWEGX-LESCRADOSA-N 2 2 333.501 3.005 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044429 456274773 /nfs/dbraw/zinc/27/47/73/456274773.db2.gz MMYYHLOOQFHFLG-AEFFLSMTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044429 456274776 /nfs/dbraw/zinc/27/47/76/456274776.db2.gz MMYYHLOOQFHFLG-AEFFLSMTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044429 456274780 /nfs/dbraw/zinc/27/47/80/456274780.db2.gz MMYYHLOOQFHFLG-AEFFLSMTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044429 456274783 /nfs/dbraw/zinc/27/47/83/456274783.db2.gz MMYYHLOOQFHFLG-AEFFLSMTSA-N 2 2 343.519 3.389 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000275657252 456279255 /nfs/dbraw/zinc/27/92/55/456279255.db2.gz DEJIXCAIAYNUJF-UHFFFAOYSA-N 2 2 344.478 3.375 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000275657252 456279257 /nfs/dbraw/zinc/27/92/57/456279257.db2.gz DEJIXCAIAYNUJF-UHFFFAOYSA-N 2 2 344.478 3.375 20 0 EGADLP CC[N@@H+](Cc1ccn(C(F)F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000347672154 456295394 /nfs/dbraw/zinc/29/53/94/456295394.db2.gz CQZFPAMCTSCRCX-UHFFFAOYSA-N 2 2 349.429 3.412 20 0 EGADLP CC[N@H+](Cc1ccn(C(F)F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000347672154 456295402 /nfs/dbraw/zinc/29/54/02/456295402.db2.gz CQZFPAMCTSCRCX-UHFFFAOYSA-N 2 2 349.429 3.412 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCOc2cccc(Cl)c2)s1 ZINC000347676128 456298979 /nfs/dbraw/zinc/29/89/79/456298979.db2.gz PGFWIJSMVHFMKT-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCOc2cccc(Cl)c2)s1 ZINC000347676128 456298984 /nfs/dbraw/zinc/29/89/84/456298984.db2.gz PGFWIJSMVHFMKT-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP CC(C)Cn1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000275827277 456324996 /nfs/dbraw/zinc/32/49/96/456324996.db2.gz WKLPFEWHQNWYRW-HXUWFJFHSA-N 2 2 341.503 3.078 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000275827277 456325001 /nfs/dbraw/zinc/32/50/01/456325001.db2.gz WKLPFEWHQNWYRW-HXUWFJFHSA-N 2 2 341.503 3.078 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000352807627 456326129 /nfs/dbraw/zinc/32/61/29/456326129.db2.gz WURCBPMJPIUBAI-WBVHZDCISA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)oc1C ZINC000352807627 456326133 /nfs/dbraw/zinc/32/61/33/456326133.db2.gz WURCBPMJPIUBAI-WBVHZDCISA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)oc1C ZINC000352807627 456326138 /nfs/dbraw/zinc/32/61/38/456326138.db2.gz WURCBPMJPIUBAI-WBVHZDCISA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)oc1C ZINC000352807627 456326144 /nfs/dbraw/zinc/32/61/44/456326144.db2.gz WURCBPMJPIUBAI-WBVHZDCISA-N 2 2 348.487 3.461 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)c1[nH+]cnc2[nH]ccc21 ZINC000347732850 456337120 /nfs/dbraw/zinc/33/71/20/456337120.db2.gz FDAWXRJBEQUQAO-UHFFFAOYSA-N 2 2 329.473 3.368 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000297997068 456339922 /nfs/dbraw/zinc/33/99/22/456339922.db2.gz ZGHVXJJRXCRZSX-ICSRJNTNSA-N 2 2 327.472 3.331 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000297997068 456339928 /nfs/dbraw/zinc/33/99/28/456339928.db2.gz ZGHVXJJRXCRZSX-ICSRJNTNSA-N 2 2 327.472 3.331 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000337555368 456378133 /nfs/dbraw/zinc/37/81/33/456378133.db2.gz QWZRWCFXMADLQP-DLBZAZTESA-N 2 2 339.430 3.186 20 0 EGADLP Brc1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542830 461755892 /nfs/dbraw/zinc/75/58/92/461755892.db2.gz CNHPDEYEVOAUIU-NWDGAFQWSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542830 461755897 /nfs/dbraw/zinc/75/58/97/461755897.db2.gz CNHPDEYEVOAUIU-NWDGAFQWSA-N 2 2 344.322 3.117 20 0 EGADLP C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000290736299 456417461 /nfs/dbraw/zinc/41/74/61/456417461.db2.gz PQUGAKFLUYWBNH-KSSFIOAISA-N 2 2 337.427 3.147 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302862135 456419245 /nfs/dbraw/zinc/41/92/45/456419245.db2.gz VXAVOPLTMJSMQZ-FUHWJXTLSA-N 2 2 337.471 3.009 20 0 EGADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C2 ZINC000290847416 456445582 /nfs/dbraw/zinc/44/55/82/456445582.db2.gz JKJQQORBLABUSR-ZDUSSCGKSA-N 2 2 346.862 3.108 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(F)cn1 ZINC000348082865 456465066 /nfs/dbraw/zinc/46/50/66/456465066.db2.gz UDSUVYRAUOTHFR-CQSZACIVSA-N 2 2 340.402 3.325 20 0 EGADLP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000348099676 456478996 /nfs/dbraw/zinc/47/89/96/456478996.db2.gz CKLXAKXKNQRCTN-DZGCQCFKSA-N 2 2 325.334 3.072 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccncc1F ZINC000340474601 456480842 /nfs/dbraw/zinc/48/08/42/456480842.db2.gz KMVYITZUFWPITQ-HOTGVXAUSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1F ZINC000340474601 456480848 /nfs/dbraw/zinc/48/08/48/456480848.db2.gz KMVYITZUFWPITQ-HOTGVXAUSA-N 2 2 343.446 3.292 20 0 EGADLP Clc1ccc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000303788445 456486754 /nfs/dbraw/zinc/48/67/54/456486754.db2.gz DZGLWDNSLFUUDR-GOSISDBHSA-N 2 2 336.907 3.317 20 0 EGADLP Clc1ccc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000303788445 456486759 /nfs/dbraw/zinc/48/67/59/456486759.db2.gz DZGLWDNSLFUUDR-GOSISDBHSA-N 2 2 336.907 3.317 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504063 456497199 /nfs/dbraw/zinc/49/71/99/456497199.db2.gz GCCGFIAAURUASY-PERKRYKHSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504063 456497204 /nfs/dbraw/zinc/49/72/04/456497204.db2.gz GCCGFIAAURUASY-PERKRYKHSA-N 2 2 336.479 3.244 20 0 EGADLP OC[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000291025679 456500537 /nfs/dbraw/zinc/50/05/37/456500537.db2.gz ATENZKSVHAKONB-NRFANRHFSA-N 2 2 333.435 3.008 20 0 EGADLP OC[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000291025679 456500543 /nfs/dbraw/zinc/50/05/43/456500543.db2.gz ATENZKSVHAKONB-NRFANRHFSA-N 2 2 333.435 3.008 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000340517939 456505608 /nfs/dbraw/zinc/50/56/08/456505608.db2.gz OUSLPBQLONEYBT-NMLBUPMWSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000340517939 456505616 /nfs/dbraw/zinc/50/56/16/456505616.db2.gz OUSLPBQLONEYBT-NMLBUPMWSA-N 2 2 326.484 3.198 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000282434379 456513734 /nfs/dbraw/zinc/51/37/34/456513734.db2.gz HQZSIAVIEQWSFK-LBPRGKRZSA-N 2 2 331.489 3.320 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)no1 ZINC000340541062 456521089 /nfs/dbraw/zinc/52/10/89/456521089.db2.gz IJRGUBHHVFOXPX-ZACQAIPSSA-N 2 2 343.471 3.443 20 0 EGADLP COc1ccc2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)sc2c1 ZINC000353151649 456525396 /nfs/dbraw/zinc/52/53/96/456525396.db2.gz GKFGGFAVPLIOID-PBWFPOADSA-N 2 2 331.485 3.362 20 0 EGADLP COc1ccc2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)sc2c1 ZINC000353151649 456525401 /nfs/dbraw/zinc/52/54/01/456525401.db2.gz GKFGGFAVPLIOID-PBWFPOADSA-N 2 2 331.485 3.362 20 0 EGADLP COc1ccc2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)sc2c1 ZINC000353151649 456525407 /nfs/dbraw/zinc/52/54/07/456525407.db2.gz GKFGGFAVPLIOID-PBWFPOADSA-N 2 2 331.485 3.362 20 0 EGADLP COc1ccc2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2c1 ZINC000353151649 456525411 /nfs/dbraw/zinc/52/54/11/456525411.db2.gz GKFGGFAVPLIOID-PBWFPOADSA-N 2 2 331.485 3.362 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1O ZINC000340575828 456540845 /nfs/dbraw/zinc/54/08/45/456540845.db2.gz HVJFWZCHCJPXMA-HNNXBMFYSA-N 2 2 348.830 3.493 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1O ZINC000340575828 456540851 /nfs/dbraw/zinc/54/08/51/456540851.db2.gz HVJFWZCHCJPXMA-HNNXBMFYSA-N 2 2 348.830 3.493 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH]1 ZINC000291176346 456554998 /nfs/dbraw/zinc/55/49/98/456554998.db2.gz NVDUUNCXFMIFMX-INIZCTEOSA-N 2 2 341.503 3.286 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291225744 456571740 /nfs/dbraw/zinc/57/17/40/456571740.db2.gz JUPVFEQPZBAWGV-QGZVFWFLSA-N 2 2 340.458 3.094 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291225744 456571745 /nfs/dbraw/zinc/57/17/45/456571745.db2.gz JUPVFEQPZBAWGV-QGZVFWFLSA-N 2 2 340.458 3.094 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291225744 456571747 /nfs/dbraw/zinc/57/17/47/456571747.db2.gz JUPVFEQPZBAWGV-QGZVFWFLSA-N 2 2 340.458 3.094 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291225744 456571751 /nfs/dbraw/zinc/57/17/51/456571751.db2.gz JUPVFEQPZBAWGV-QGZVFWFLSA-N 2 2 340.458 3.094 20 0 EGADLP c1ccc([C@@H]2C[C@@H]2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000348264223 456580828 /nfs/dbraw/zinc/58/08/28/456580828.db2.gz MZVQORYAUYCKLQ-YADHBBJMSA-N 2 2 336.479 3.412 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000353258629 456592672 /nfs/dbraw/zinc/59/26/72/456592672.db2.gz MDZTWWFTYDRCJB-OAHLLOKOSA-N 2 2 332.394 3.282 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000353258629 456592679 /nfs/dbraw/zinc/59/26/79/456592679.db2.gz MDZTWWFTYDRCJB-OAHLLOKOSA-N 2 2 332.394 3.282 20 0 EGADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCC2 ZINC000291361839 456619344 /nfs/dbraw/zinc/61/93/44/456619344.db2.gz YBANZGLJRGIFJX-OAQYLSRUSA-N 2 2 337.467 3.419 20 0 EGADLP C[C@H]1[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000343442258 456624914 /nfs/dbraw/zinc/62/49/14/456624914.db2.gz MQRYIKMDUJDTJI-KBXCAEBGSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H]1[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000343442258 456624923 /nfs/dbraw/zinc/62/49/23/456624923.db2.gz MQRYIKMDUJDTJI-KBXCAEBGSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)s1 ZINC000348330478 456629690 /nfs/dbraw/zinc/62/96/90/456629690.db2.gz NWNFSWYTUSQDFW-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP COc1ccccc1N1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353384288 456663266 /nfs/dbraw/zinc/66/32/66/456663266.db2.gz UJFHNDZAMUSRSX-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP COC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000353425088 456691579 /nfs/dbraw/zinc/69/15/79/456691579.db2.gz IMRFQZWBBIWHPW-QGZVFWFLSA-N 2 2 333.863 3.393 20 0 EGADLP COc1cc[nH+]cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000299489027 456709345 /nfs/dbraw/zinc/70/93/45/456709345.db2.gz MQDVUQJJQWCBBV-UHFFFAOYSA-N 2 2 325.412 3.328 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490435 456710947 /nfs/dbraw/zinc/71/09/47/456710947.db2.gz QQECYHOEHPRFEO-QAPCUYQASA-N 2 2 332.467 3.359 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490435 456710957 /nfs/dbraw/zinc/71/09/57/456710957.db2.gz QQECYHOEHPRFEO-QAPCUYQASA-N 2 2 332.467 3.359 20 0 EGADLP [NH3+]C[C@@H]1Cc2ccccc2N(Cc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000328470414 456713037 /nfs/dbraw/zinc/71/30/37/456713037.db2.gz ZJFRWVPGQJFXNK-ZDUSSCGKSA-N 2 2 326.831 3.125 20 0 EGADLP Cc1ccc(C[NH+](C)CC(O)C[N@@H+](C)Cc2ccc(C)cc2)cc1 ZINC000353501633 456718960 /nfs/dbraw/zinc/71/89/60/456718960.db2.gz NALWMUQZTMQUBE-UHFFFAOYSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1ccc(C[NH+](C)CC(O)C[N@H+](C)Cc2ccc(C)cc2)cc1 ZINC000353501633 456718963 /nfs/dbraw/zinc/71/89/63/456718963.db2.gz NALWMUQZTMQUBE-UHFFFAOYSA-N 2 2 326.484 3.228 20 0 EGADLP c1cn([C@H]2CCc3ccccc3[C@H]2[NH2+]Cc2c[nH]c3nccnc23)c[nH+]1 ZINC000291697412 456723854 /nfs/dbraw/zinc/72/38/54/456723854.db2.gz YRCVKQNZMQIXGQ-PKOBYXMFSA-N 2 2 344.422 3.173 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524226 456734845 /nfs/dbraw/zinc/73/48/45/456734845.db2.gz FZSCFMOQVIMADK-IEBWSBKVSA-N 2 2 340.471 3.103 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000348524226 456734850 /nfs/dbraw/zinc/73/48/50/456734850.db2.gz FZSCFMOQVIMADK-IEBWSBKVSA-N 2 2 340.471 3.103 20 0 EGADLP COCC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000353536876 456741217 /nfs/dbraw/zinc/74/12/17/456741217.db2.gz COFNLXJRHAXZBZ-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000277248300 456743297 /nfs/dbraw/zinc/74/32/97/456743297.db2.gz NVYPWSJQCGMEKE-KBPBESRZSA-N 2 2 328.464 3.033 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000353539408 456743452 /nfs/dbraw/zinc/74/34/52/456743452.db2.gz XIZAUAXGZXKUDF-JKSUJKDBSA-N 2 2 332.488 3.143 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000353539408 456743454 /nfs/dbraw/zinc/74/34/54/456743454.db2.gz XIZAUAXGZXKUDF-JKSUJKDBSA-N 2 2 332.488 3.143 20 0 EGADLP C[C@@H]([NH2+]CCCO[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338290384 456749599 /nfs/dbraw/zinc/74/95/99/456749599.db2.gz RWOKWQZCXSPKBX-VQIMIIECSA-N 2 2 329.444 3.456 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000299633951 456750618 /nfs/dbraw/zinc/75/06/18/456750618.db2.gz WSRSYYRTCHXNRN-GOSISDBHSA-N 2 2 345.531 3.285 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000299633951 456750621 /nfs/dbraw/zinc/75/06/21/456750621.db2.gz WSRSYYRTCHXNRN-GOSISDBHSA-N 2 2 345.531 3.285 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)c1 ZINC000343624165 456750710 /nfs/dbraw/zinc/75/07/10/456750710.db2.gz YKEZKQKDBDRGPO-UHFFFAOYSA-N 2 2 333.476 3.024 20 0 EGADLP CCC(CC)n1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000340912091 456755503 /nfs/dbraw/zinc/75/55/03/456755503.db2.gz STHRQVDYAWKFCF-INIZCTEOSA-N 2 2 329.492 3.432 20 0 EGADLP CCC(CC)n1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000340912091 456755508 /nfs/dbraw/zinc/75/55/08/456755508.db2.gz STHRQVDYAWKFCF-INIZCTEOSA-N 2 2 329.492 3.432 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000353618891 456807208 /nfs/dbraw/zinc/80/72/08/456807208.db2.gz CGCMUEQFAKSUFB-QGZVFWFLSA-N 2 2 342.462 3.319 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000353618891 456807214 /nfs/dbraw/zinc/80/72/14/456807214.db2.gz CGCMUEQFAKSUFB-QGZVFWFLSA-N 2 2 342.462 3.319 20 0 EGADLP CC[C@@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000353628077 456814047 /nfs/dbraw/zinc/81/40/47/456814047.db2.gz GUWBZWWOLIHKIM-LJQANCHMSA-N 2 2 325.456 3.187 20 0 EGADLP CC[C@@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000353628077 456814053 /nfs/dbraw/zinc/81/40/53/456814053.db2.gz GUWBZWWOLIHKIM-LJQANCHMSA-N 2 2 325.456 3.187 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000341096791 456816798 /nfs/dbraw/zinc/81/67/98/456816798.db2.gz ABKLPMRZBZVPAF-QGZVFWFLSA-N 2 2 328.460 3.157 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(C)c1 ZINC000341096791 456816804 /nfs/dbraw/zinc/81/68/04/456816804.db2.gz ABKLPMRZBZVPAF-QGZVFWFLSA-N 2 2 328.460 3.157 20 0 EGADLP CCc1ccc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000301192700 456819056 /nfs/dbraw/zinc/81/90/56/456819056.db2.gz XJJYOPSSZNFUQR-SFHVURJKSA-N 2 2 339.487 3.354 20 0 EGADLP Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccnn2C)c1 ZINC000338447589 456825310 /nfs/dbraw/zinc/82/53/10/456825310.db2.gz ZMOWQXPJAOFRNE-UHFFFAOYSA-N 2 2 335.455 3.382 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)Cc2nccn2CC(F)(F)F)c[nH+]1 ZINC000353647892 456828453 /nfs/dbraw/zinc/82/84/53/456828453.db2.gz HYTPOJBAQODVSR-UHFFFAOYSA-N 2 2 326.366 3.213 20 0 EGADLP Cc1ccc(CCC[N@H+](C)Cc2nccn2CC(F)(F)F)c[nH+]1 ZINC000353647892 456828459 /nfs/dbraw/zinc/82/84/59/456828459.db2.gz HYTPOJBAQODVSR-UHFFFAOYSA-N 2 2 326.366 3.213 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c[nH+]1 ZINC000353658737 456836895 /nfs/dbraw/zinc/83/68/95/456836895.db2.gz QNIPDOPUSFTURX-HXUWFJFHSA-N 2 2 332.488 3.373 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c2ccccc21 ZINC000338774023 456857067 /nfs/dbraw/zinc/85/70/67/456857067.db2.gz CPMGSIMLGFAOJL-OAOYMFHYSA-N 2 2 330.472 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c2ccccc21 ZINC000338774023 456857075 /nfs/dbraw/zinc/85/70/75/456857075.db2.gz CPMGSIMLGFAOJL-OAOYMFHYSA-N 2 2 330.472 3.241 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCC2(CCCCC2)CC1 ZINC000344870323 456868890 /nfs/dbraw/zinc/86/88/90/456868890.db2.gz HZYMEZUQVZZUPW-VQIMIIECSA-N 2 2 344.503 3.223 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000349410479 456964384 /nfs/dbraw/zinc/96/43/84/456964384.db2.gz UVNSWGCDYZHJMH-UHFFFAOYSA-N 2 2 344.402 3.180 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000349410479 456964387 /nfs/dbraw/zinc/96/43/87/456964387.db2.gz UVNSWGCDYZHJMH-UHFFFAOYSA-N 2 2 344.402 3.180 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000349412261 456964525 /nfs/dbraw/zinc/96/45/25/456964525.db2.gz YNYFPAOSSIFQRR-UHFFFAOYSA-N 2 2 329.835 3.449 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000349412261 456964526 /nfs/dbraw/zinc/96/45/26/456964526.db2.gz YNYFPAOSSIFQRR-UHFFFAOYSA-N 2 2 329.835 3.449 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnn(Cc2ccccc2)c1 ZINC000349424125 456966789 /nfs/dbraw/zinc/96/67/89/456966789.db2.gz ZDEPHKUTFUIFHV-UHFFFAOYSA-N 2 2 326.488 3.239 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnn(Cc2ccccc2)c1 ZINC000349424125 456966793 /nfs/dbraw/zinc/96/67/93/456966793.db2.gz ZDEPHKUTFUIFHV-UHFFFAOYSA-N 2 2 326.488 3.239 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000353923744 456967914 /nfs/dbraw/zinc/96/79/14/456967914.db2.gz OWXDLBHNVFKXGW-WOJBJXKFSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000353923744 456967917 /nfs/dbraw/zinc/96/79/17/456967917.db2.gz OWXDLBHNVFKXGW-WOJBJXKFSA-N 2 2 337.467 3.377 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000339181201 456980577 /nfs/dbraw/zinc/98/05/77/456980577.db2.gz HLIGEKLZMSQPOP-SJORKVTESA-N 2 2 347.503 3.254 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000339224828 457001539 /nfs/dbraw/zinc/00/15/39/457001539.db2.gz DKIXUHYBVQNALH-GASCZTMLSA-N 2 2 340.471 3.126 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000339224828 457001545 /nfs/dbraw/zinc/00/15/45/457001545.db2.gz DKIXUHYBVQNALH-GASCZTMLSA-N 2 2 340.471 3.126 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036543 457025203 /nfs/dbraw/zinc/02/52/03/457025203.db2.gz ABRFFETXQREGSG-MOPGFXCFSA-N 2 2 343.515 3.458 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354036543 457025209 /nfs/dbraw/zinc/02/52/09/457025209.db2.gz ABRFFETXQREGSG-MOPGFXCFSA-N 2 2 343.515 3.458 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358979030 457044841 /nfs/dbraw/zinc/04/48/41/457044841.db2.gz FWKXMQDNSBTGSI-OYNPSCLESA-N 2 2 328.500 3.204 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000358979030 457044843 /nfs/dbraw/zinc/04/48/43/457044843.db2.gz FWKXMQDNSBTGSI-OYNPSCLESA-N 2 2 328.500 3.204 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477548 457046226 /nfs/dbraw/zinc/04/62/26/457046226.db2.gz DLHJLLLALVHSKB-FOIQADDNSA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477548 457046228 /nfs/dbraw/zinc/04/62/28/457046228.db2.gz DLHJLLLALVHSKB-FOIQADDNSA-N 2 2 325.431 3.384 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cnc21 ZINC000354100426 457062032 /nfs/dbraw/zinc/06/20/32/457062032.db2.gz MLACCURLLHHIRW-KRWDZBQOSA-N 2 2 341.503 3.176 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cnc21 ZINC000354100426 457062039 /nfs/dbraw/zinc/06/20/39/457062039.db2.gz MLACCURLLHHIRW-KRWDZBQOSA-N 2 2 341.503 3.176 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cnc21 ZINC000354100426 457062045 /nfs/dbraw/zinc/06/20/45/457062045.db2.gz MLACCURLLHHIRW-KRWDZBQOSA-N 2 2 341.503 3.176 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cnc21 ZINC000354100426 457062052 /nfs/dbraw/zinc/06/20/52/457062052.db2.gz MLACCURLLHHIRW-KRWDZBQOSA-N 2 2 341.503 3.176 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000339358377 457064866 /nfs/dbraw/zinc/06/48/66/457064866.db2.gz GTTAEZRBIOAMBE-GUDVDZBRSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000339358377 457064871 /nfs/dbraw/zinc/06/48/71/457064871.db2.gz GTTAEZRBIOAMBE-GUDVDZBRSA-N 2 2 349.563 3.077 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CN1C(C)=O ZINC000354127305 457081295 /nfs/dbraw/zinc/08/12/95/457081295.db2.gz OAPFFJQWEOEXRV-RBUKOAKNSA-N 2 2 340.471 3.094 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CN1C(C)=O ZINC000354127305 457081299 /nfs/dbraw/zinc/08/12/99/457081299.db2.gz OAPFFJQWEOEXRV-RBUKOAKNSA-N 2 2 340.471 3.094 20 0 EGADLP C[NH+](C)CC(C)(C)CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354138679 457089411 /nfs/dbraw/zinc/08/94/11/457089411.db2.gz NDIJDTLDQRIFOU-UHFFFAOYSA-N 2 2 342.487 3.008 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354145740 457093276 /nfs/dbraw/zinc/09/32/76/457093276.db2.gz GLVYUYPSBCNCHE-UHFFFAOYSA-N 2 2 331.504 3.339 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661891 457100449 /nfs/dbraw/zinc/10/04/49/457100449.db2.gz UKGHUYVULVJLJV-XJABCFGWSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661891 457100454 /nfs/dbraw/zinc/10/04/54/457100454.db2.gz UKGHUYVULVJLJV-XJABCFGWSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@H](C)[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000346661891 457100462 /nfs/dbraw/zinc/10/04/62/457100462.db2.gz UKGHUYVULVJLJV-XJABCFGWSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@H](C)[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000346661891 457100466 /nfs/dbraw/zinc/10/04/66/457100466.db2.gz UKGHUYVULVJLJV-XJABCFGWSA-N 2 2 341.543 3.284 20 0 EGADLP COc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c(C)c1OC ZINC000342089292 457101968 /nfs/dbraw/zinc/10/19/68/457101968.db2.gz SWPAXBMOMMUPMD-UHFFFAOYSA-N 2 2 339.439 3.460 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434705 457116904 /nfs/dbraw/zinc/11/69/04/457116904.db2.gz WWOMLZQWDBOOTK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434705 457116907 /nfs/dbraw/zinc/11/69/07/457116907.db2.gz WWOMLZQWDBOOTK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434705 457116909 /nfs/dbraw/zinc/11/69/09/457116909.db2.gz WWOMLZQWDBOOTK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434705 457116916 /nfs/dbraw/zinc/11/69/16/457116916.db2.gz WWOMLZQWDBOOTK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@H](C)N(Cc3ccccc3)C1)CCC2 ZINC000346701884 457120700 /nfs/dbraw/zinc/12/07/00/457120700.db2.gz SZDHYRGYVFSZIX-IHPCNDPISA-N 2 2 338.499 3.322 20 0 EGADLP Cc1cc(NC(=O)NCC[N@@H+](C)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000356707032 457127416 /nfs/dbraw/zinc/12/74/16/457127416.db2.gz KLIWNHHUCKBTEG-MRXNPFEDSA-N 2 2 347.507 3.231 20 0 EGADLP Cc1cc(NC(=O)NCC[N@H+](C)C(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000356707032 457127418 /nfs/dbraw/zinc/12/74/18/457127418.db2.gz KLIWNHHUCKBTEG-MRXNPFEDSA-N 2 2 347.507 3.231 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219773 457138037 /nfs/dbraw/zinc/13/80/37/457138037.db2.gz DICVXNTWQPQUMK-QZTJIDSGSA-N 2 2 331.504 3.355 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219773 457138041 /nfs/dbraw/zinc/13/80/41/457138041.db2.gz DICVXNTWQPQUMK-QZTJIDSGSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219773 457138045 /nfs/dbraw/zinc/13/80/45/457138045.db2.gz DICVXNTWQPQUMK-QZTJIDSGSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219773 457138049 /nfs/dbraw/zinc/13/80/49/457138049.db2.gz DICVXNTWQPQUMK-QZTJIDSGSA-N 2 2 331.504 3.355 20 0 EGADLP OC[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1c(F)cccc1Cl ZINC000354281790 457170403 /nfs/dbraw/zinc/17/04/03/457170403.db2.gz KSTPWWBTSWVYNF-CYBMUJFWSA-N 2 2 347.821 3.068 20 0 EGADLP Cc1ccc[nH+]c1CCc1noc([C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000351131438 457227970 /nfs/dbraw/zinc/22/79/70/457227970.db2.gz POCVVBDZIFRCOZ-SFHVURJKSA-N 2 2 332.423 3.227 20 0 EGADLP Cc1ccc[nH+]c1CCc1noc([C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000351131438 457227974 /nfs/dbraw/zinc/22/79/74/457227974.db2.gz POCVVBDZIFRCOZ-SFHVURJKSA-N 2 2 332.423 3.227 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347127324 457243882 /nfs/dbraw/zinc/24/38/82/457243882.db2.gz VTNHXVYBDKFUHX-UNMCSNQZSA-N 2 2 348.446 3.292 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347127324 457243887 /nfs/dbraw/zinc/24/38/87/457243887.db2.gz VTNHXVYBDKFUHX-UNMCSNQZSA-N 2 2 348.446 3.292 20 0 EGADLP C[N@H+](CCN1CC[NH+](Cc2cccc(F)c2)CC1)Cc1ccccc1 ZINC000354491819 457255494 /nfs/dbraw/zinc/25/54/94/457255494.db2.gz HYNGRTOHVBRMOK-UHFFFAOYSA-N 2 2 341.474 3.075 20 0 EGADLP C[N@@H+](CCN1CC[NH+](Cc2cccc(F)c2)CC1)Cc1ccccc1 ZINC000354491819 457255500 /nfs/dbraw/zinc/25/55/00/457255500.db2.gz HYNGRTOHVBRMOK-UHFFFAOYSA-N 2 2 341.474 3.075 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000356996877 457265577 /nfs/dbraw/zinc/26/55/77/457265577.db2.gz QYPPOPAYSMKJFS-KDOFPFPSSA-N 2 2 341.434 3.079 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390038 457275098 /nfs/dbraw/zinc/27/50/98/457275098.db2.gz UROVFIBBCVKHOG-KBXCAEBGSA-N 2 2 348.537 3.212 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390038 457275107 /nfs/dbraw/zinc/27/51/07/457275107.db2.gz UROVFIBBCVKHOG-KBXCAEBGSA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390038 457275112 /nfs/dbraw/zinc/27/51/12/457275112.db2.gz UROVFIBBCVKHOG-KBXCAEBGSA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390038 457275120 /nfs/dbraw/zinc/27/51/20/457275120.db2.gz UROVFIBBCVKHOG-KBXCAEBGSA-N 2 2 348.537 3.212 20 0 EGADLP COC(=O)COc1ccc(C[N@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000354643308 457294175 /nfs/dbraw/zinc/29/41/75/457294175.db2.gz FTYYUOWNMNBBMF-UHFFFAOYSA-N 2 2 342.439 3.006 20 0 EGADLP COC(=O)COc1ccc(C[N@@H+](C)CCCc2ccc(C)[nH+]c2)cc1 ZINC000354643308 457294176 /nfs/dbraw/zinc/29/41/76/457294176.db2.gz FTYYUOWNMNBBMF-UHFFFAOYSA-N 2 2 342.439 3.006 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC[C@H](c3nc(C4CC4)no3)O2)c[nH+]1 ZINC000354650586 457298234 /nfs/dbraw/zinc/29/82/34/457298234.db2.gz BHUCJOGIICJJOD-DLBZAZTESA-N 2 2 342.443 3.093 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000354661003 457303167 /nfs/dbraw/zinc/30/31/67/457303167.db2.gz WFYQUCUSXAROPT-OMZCVMJRSA-N 2 2 344.499 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000354661003 457303172 /nfs/dbraw/zinc/30/31/72/457303172.db2.gz WFYQUCUSXAROPT-OMZCVMJRSA-N 2 2 344.499 3.074 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](CC(N)=O)c2cccc(Cl)c2)c[nH+]1 ZINC000354660807 457303535 /nfs/dbraw/zinc/30/35/35/457303535.db2.gz VTTLBSXZATUYLO-KRWDZBQOSA-N 2 2 331.847 3.182 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000360429092 457309210 /nfs/dbraw/zinc/30/92/10/457309210.db2.gz QOXYYIKMSVXMSN-IRXDYDNUSA-N 2 2 341.503 3.267 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320029 457351035 /nfs/dbraw/zinc/35/10/35/457351035.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320029 457351041 /nfs/dbraw/zinc/35/10/41/457351041.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320029 457351044 /nfs/dbraw/zinc/35/10/44/457351044.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320029 457351050 /nfs/dbraw/zinc/35/10/50/457351050.db2.gz PKPFAOUVXANCLD-XCDJFROHSA-N 3 2 327.516 3.112 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000360796419 457357932 /nfs/dbraw/zinc/35/79/32/457357932.db2.gz GJLAYGRSINZAFJ-IAGOWNOFSA-N 2 2 349.523 3.260 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000360796419 457357937 /nfs/dbraw/zinc/35/79/37/457357937.db2.gz GJLAYGRSINZAFJ-IAGOWNOFSA-N 2 2 349.523 3.260 20 0 EGADLP CN(C)c1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000342576985 457375759 /nfs/dbraw/zinc/37/57/59/457375759.db2.gz VZGJDADKIFMBQA-SFHVURJKSA-N 2 2 338.455 3.141 20 0 EGADLP CN(C)c1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000342576985 457375762 /nfs/dbraw/zinc/37/57/62/457375762.db2.gz VZGJDADKIFMBQA-SFHVURJKSA-N 2 2 338.455 3.141 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000352488213 457409704 /nfs/dbraw/zinc/40/97/04/457409704.db2.gz NLTXZUDKEZRZRP-SOLBZPMBSA-N 2 2 332.488 3.359 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000352488213 457409710 /nfs/dbraw/zinc/40/97/10/457409710.db2.gz NLTXZUDKEZRZRP-SOLBZPMBSA-N 2 2 332.488 3.359 20 0 EGADLP CCCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643210 457415207 /nfs/dbraw/zinc/41/52/07/457415207.db2.gz FPBONVUTSLYHGD-HKUYNNGSSA-N 2 2 326.488 3.436 20 0 EGADLP CCCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379643210 457415212 /nfs/dbraw/zinc/41/52/12/457415212.db2.gz FPBONVUTSLYHGD-HKUYNNGSSA-N 2 2 326.488 3.436 20 0 EGADLP COc1sc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1Br ZINC000352533832 457444614 /nfs/dbraw/zinc/44/46/14/457444614.db2.gz ACJHOESBGAPKDH-JTQLQIEISA-N 2 2 333.295 3.223 20 0 EGADLP COc1sc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1Br ZINC000352533832 457444620 /nfs/dbraw/zinc/44/46/20/457444620.db2.gz ACJHOESBGAPKDH-JTQLQIEISA-N 2 2 333.295 3.223 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000352535296 457445878 /nfs/dbraw/zinc/44/58/78/457445878.db2.gz OTRBEDUWJANUJD-SFHVURJKSA-N 2 2 340.414 3.262 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000352535296 457445884 /nfs/dbraw/zinc/44/58/84/457445884.db2.gz OTRBEDUWJANUJD-SFHVURJKSA-N 2 2 340.414 3.262 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000352571628 457475984 /nfs/dbraw/zinc/47/59/84/457475984.db2.gz WYTAMCPFAPBOBJ-LJQANCHMSA-N 2 2 335.923 3.250 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000352571628 457475989 /nfs/dbraw/zinc/47/59/89/457475989.db2.gz WYTAMCPFAPBOBJ-LJQANCHMSA-N 2 2 335.923 3.250 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000342726889 457482113 /nfs/dbraw/zinc/48/21/13/457482113.db2.gz BMDTYGHZBQGDFK-HSALFYBXSA-N 2 2 345.531 3.363 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000342726889 457482122 /nfs/dbraw/zinc/48/21/22/457482122.db2.gz BMDTYGHZBQGDFK-HSALFYBXSA-N 2 2 345.531 3.363 20 0 EGADLP CCO[C@H]1C[C@@H]([N@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337502 457503753 /nfs/dbraw/zinc/50/37/53/457503753.db2.gz NRBQUOKEXIHSHT-SJORKVTESA-N 2 2 334.508 3.046 20 0 EGADLP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337502 457503762 /nfs/dbraw/zinc/50/37/62/457503762.db2.gz NRBQUOKEXIHSHT-SJORKVTESA-N 2 2 334.508 3.046 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000399142020 457506764 /nfs/dbraw/zinc/50/67/64/457506764.db2.gz CHNDBBQBHYDKDS-INIZCTEOSA-N 2 2 331.485 3.154 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000399142020 457506770 /nfs/dbraw/zinc/50/67/70/457506770.db2.gz CHNDBBQBHYDKDS-INIZCTEOSA-N 2 2 331.485 3.154 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000361022372 457518493 /nfs/dbraw/zinc/51/84/93/457518493.db2.gz FQRKZIXOUYEBGX-UHFFFAOYSA-N 2 2 346.515 3.033 20 0 EGADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401010085 457522794 /nfs/dbraw/zinc/52/27/94/457522794.db2.gz RFBMAAWGIZQDSN-PLACYPQZSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000401010085 457522801 /nfs/dbraw/zinc/52/28/01/457522801.db2.gz RFBMAAWGIZQDSN-PLACYPQZSA-N 3 2 327.516 3.019 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370063690 457525279 /nfs/dbraw/zinc/52/52/79/457525279.db2.gz RUOMAAPSQLQCHU-MRXNPFEDSA-N 2 2 329.444 3.077 20 0 EGADLP COc1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370063690 457525287 /nfs/dbraw/zinc/52/52/87/457525287.db2.gz RUOMAAPSQLQCHU-MRXNPFEDSA-N 2 2 329.444 3.077 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000342786778 457528734 /nfs/dbraw/zinc/52/87/34/457528734.db2.gz UBYWKWIMIHNOPP-VQIMIIECSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000342786778 457528742 /nfs/dbraw/zinc/52/87/42/457528742.db2.gz UBYWKWIMIHNOPP-VQIMIIECSA-N 2 2 326.488 3.213 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000404434189 457543876 /nfs/dbraw/zinc/54/38/76/457543876.db2.gz QHJHOFINORSSHB-IUODEOHRSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CC[NH3+] ZINC000404434189 457543885 /nfs/dbraw/zinc/54/38/85/457543885.db2.gz QHJHOFINORSSHB-IUODEOHRSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063518 457557431 /nfs/dbraw/zinc/55/74/31/457557431.db2.gz RSPAZXHWRCJAIS-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000361063738 457557649 /nfs/dbraw/zinc/55/76/49/457557649.db2.gz VCDUPVBQEPYHCE-GOSISDBHSA-N 2 2 348.535 3.409 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309069 457565582 /nfs/dbraw/zinc/56/55/82/457565582.db2.gz STGOOSCKVOXRHI-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309069 457565586 /nfs/dbraw/zinc/56/55/86/457565586.db2.gz STGOOSCKVOXRHI-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309069 457565592 /nfs/dbraw/zinc/56/55/92/457565592.db2.gz STGOOSCKVOXRHI-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309069 457565597 /nfs/dbraw/zinc/56/55/97/457565597.db2.gz STGOOSCKVOXRHI-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP COc1cc(Cl)ccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352752860 457582852 /nfs/dbraw/zinc/58/28/52/457582852.db2.gz ZPFRJVANEUSSDT-UHFFFAOYSA-N 2 2 325.865 3.157 20 0 EGADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@]2(CCCOC2)O1 ZINC000361109860 457586615 /nfs/dbraw/zinc/58/66/15/457586615.db2.gz FWVCITWSFYSZJZ-GOSISDBHSA-N 2 2 347.484 3.094 20 0 EGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@]2(CCCOC2)O1 ZINC000361109860 457586626 /nfs/dbraw/zinc/58/66/26/457586626.db2.gz FWVCITWSFYSZJZ-GOSISDBHSA-N 2 2 347.484 3.094 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000357717685 457666747 /nfs/dbraw/zinc/66/67/47/457666747.db2.gz XYFGLSUYHQIWFC-WMZOPIPTSA-N 2 2 346.519 3.092 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000357734338 457672154 /nfs/dbraw/zinc/67/21/54/457672154.db2.gz VICZXXIGETUYMY-UHFFFAOYSA-N 2 2 340.471 3.175 20 0 EGADLP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361325372 457693757 /nfs/dbraw/zinc/69/37/57/457693757.db2.gz SISNAFJGRRJZGK-ZDUSSCGKSA-N 2 2 330.394 3.330 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc([S@@](C)=O)cc1 ZINC000361498016 457754884 /nfs/dbraw/zinc/75/48/84/457754884.db2.gz RISZHGNQJLFTQG-IZHWHUGBSA-N 2 2 339.464 3.461 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000426030004 457761783 /nfs/dbraw/zinc/76/17/83/457761783.db2.gz MUMMZOAKDCDIBQ-RMFNQSEZSA-N 2 2 332.488 3.308 20 0 EGADLP Cc1ccc([C@@H](CNc2[nH+]c3cccc(F)c3n2C)[NH+]2CCCC2)o1 ZINC000443508605 457772193 /nfs/dbraw/zinc/77/21/93/457772193.db2.gz FWYIAGYHGRKWTK-MRXNPFEDSA-N 2 2 342.418 3.285 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000358079988 457772465 /nfs/dbraw/zinc/77/24/65/457772465.db2.gz FDDJVDROZKPTNW-HBFSDRIKSA-N 3 2 326.488 3.162 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000358079988 457772468 /nfs/dbraw/zinc/77/24/68/457772468.db2.gz FDDJVDROZKPTNW-HBFSDRIKSA-N 3 2 326.488 3.162 20 0 EGADLP CC1(C)OCc2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000375076030 457782351 /nfs/dbraw/zinc/78/23/51/457782351.db2.gz YSOUIVDQMQOHQB-HNNXBMFYSA-N 2 2 327.428 3.434 20 0 EGADLP CC1(C)OCc2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000375076030 457782355 /nfs/dbraw/zinc/78/23/55/457782355.db2.gz YSOUIVDQMQOHQB-HNNXBMFYSA-N 2 2 327.428 3.434 20 0 EGADLP COC1(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612238 457805881 /nfs/dbraw/zinc/80/58/81/457805881.db2.gz UIZBNEGJZDYNQA-OALUTQOASA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612238 457805887 /nfs/dbraw/zinc/80/58/87/457805887.db2.gz UIZBNEGJZDYNQA-OALUTQOASA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612238 457805895 /nfs/dbraw/zinc/80/58/95/457805895.db2.gz UIZBNEGJZDYNQA-OALUTQOASA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000361612238 457805901 /nfs/dbraw/zinc/80/59/01/457805901.db2.gz UIZBNEGJZDYNQA-OALUTQOASA-N 2 2 331.504 3.356 20 0 EGADLP CCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000426329685 457805984 /nfs/dbraw/zinc/80/59/84/457805984.db2.gz HINNWWXHRLQQIV-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOCC1 ZINC000426329685 457805989 /nfs/dbraw/zinc/80/59/89/457805989.db2.gz HINNWWXHRLQQIV-IEBWSBKVSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749382 457831784 /nfs/dbraw/zinc/83/17/84/457831784.db2.gz DQBMESCROJVFFV-DVOMOZLQSA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749382 457831791 /nfs/dbraw/zinc/83/17/91/457831791.db2.gz DQBMESCROJVFFV-DVOMOZLQSA-N 2 2 347.894 3.362 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732951 457965513 /nfs/dbraw/zinc/96/55/13/457965513.db2.gz PNWJUGRTAYQRHH-OKZBNKHCSA-N 2 2 341.430 3.296 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732951 457965522 /nfs/dbraw/zinc/96/55/22/457965522.db2.gz PNWJUGRTAYQRHH-OKZBNKHCSA-N 2 2 341.430 3.296 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](C(C)C)C3)c2cc1C ZINC000444771596 457971506 /nfs/dbraw/zinc/97/15/06/457971506.db2.gz JSDBUXKUAFLWEU-QZTJIDSGSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](C(C)C)C3)c2cc1C ZINC000444771596 457971510 /nfs/dbraw/zinc/97/15/10/457971510.db2.gz JSDBUXKUAFLWEU-QZTJIDSGSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1ccc(C)cc1 ZINC000361973395 457987386 /nfs/dbraw/zinc/98/73/86/457987386.db2.gz WZYVRSJOMRTQHG-KVSKMBFKSA-N 2 2 341.503 3.408 20 0 EGADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427842683 458042983 /nfs/dbraw/zinc/04/29/83/458042983.db2.gz KYTQRBSEGMSUQF-IUODEOHRSA-N 2 2 337.345 3.374 20 0 EGADLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000435234253 458107023 /nfs/dbraw/zinc/10/70/23/458107023.db2.gz ZKBQOWPUVUTKEV-CYBMUJFWSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000435234253 458107029 /nfs/dbraw/zinc/10/70/29/458107029.db2.gz ZKBQOWPUVUTKEV-CYBMUJFWSA-N 2 2 342.270 3.148 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000435378495 458128830 /nfs/dbraw/zinc/12/88/30/458128830.db2.gz IXPXDKNYQKHCNU-LSDHHAIUSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000435378495 458128832 /nfs/dbraw/zinc/12/88/32/458128832.db2.gz IXPXDKNYQKHCNU-LSDHHAIUSA-N 2 2 331.485 3.200 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000435390669 458133591 /nfs/dbraw/zinc/13/35/91/458133591.db2.gz SXTPIGDOYZSGPN-KRWDZBQOSA-N 2 2 338.879 3.082 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000435390669 458133597 /nfs/dbraw/zinc/13/35/97/458133597.db2.gz SXTPIGDOYZSGPN-KRWDZBQOSA-N 2 2 338.879 3.082 20 0 EGADLP Cc1ccc(F)c(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428436258 458140991 /nfs/dbraw/zinc/14/09/91/458140991.db2.gz FKZXUSTTWJABSX-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)c(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428436258 458141002 /nfs/dbraw/zinc/14/10/02/458141002.db2.gz FKZXUSTTWJABSX-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)c(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000428436258 458141010 /nfs/dbraw/zinc/14/10/10/458141010.db2.gz FKZXUSTTWJABSX-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(F)c(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428436258 458141018 /nfs/dbraw/zinc/14/10/18/458141018.db2.gz FKZXUSTTWJABSX-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428430539 458141953 /nfs/dbraw/zinc/14/19/53/458141953.db2.gz NIZINIRBWYPOJU-NVXWUHKLSA-N 2 2 337.508 3.333 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428430539 458141957 /nfs/dbraw/zinc/14/19/57/458141957.db2.gz NIZINIRBWYPOJU-NVXWUHKLSA-N 2 2 337.508 3.333 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362431124 458171832 /nfs/dbraw/zinc/17/18/32/458171832.db2.gz RESLRLYKOUAZAM-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000362431124 458171836 /nfs/dbraw/zinc/17/18/36/458171836.db2.gz RESLRLYKOUAZAM-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP CCCN(CCC)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362431124 458171844 /nfs/dbraw/zinc/17/18/44/458171844.db2.gz RESLRLYKOUAZAM-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP CCCN(CCC)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362431124 458171851 /nfs/dbraw/zinc/17/18/51/458171851.db2.gz RESLRLYKOUAZAM-FQEVSTJZSA-N 2 2 345.531 3.089 20 0 EGADLP CCN(C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435619402 458174685 /nfs/dbraw/zinc/17/46/85/458174685.db2.gz YAXDDMRVCLWTKP-SFHVURJKSA-N 2 2 339.483 3.267 20 0 EGADLP CCN(C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435619402 458174690 /nfs/dbraw/zinc/17/46/90/458174690.db2.gz YAXDDMRVCLWTKP-SFHVURJKSA-N 2 2 339.483 3.267 20 0 EGADLP Cc1cccc2[nH+]c(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cn21 ZINC000435625983 458176153 /nfs/dbraw/zinc/17/61/53/458176153.db2.gz JHYJHIBVTYZXPM-HXUWFJFHSA-N 2 2 349.482 3.182 20 0 EGADLP c1cc(C[N@@H+](Cc2nc(C3CC3)no2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690547 458185076 /nfs/dbraw/zinc/18/50/76/458185076.db2.gz CZRVCBAVGSOSPP-HNNXBMFYSA-N 2 2 344.484 3.153 20 0 EGADLP c1cc(C[N@H+](Cc2nc(C3CC3)no2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690547 458185082 /nfs/dbraw/zinc/18/50/82/458185082.db2.gz CZRVCBAVGSOSPP-HNNXBMFYSA-N 2 2 344.484 3.153 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000435777286 458203545 /nfs/dbraw/zinc/20/35/45/458203545.db2.gz IABVQTABUYUZRG-QGZVFWFLSA-N 2 2 333.439 3.151 20 0 EGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372279829 458262639 /nfs/dbraw/zinc/26/26/39/458262639.db2.gz BBZCPFZWSAVZEE-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372279829 458262634 /nfs/dbraw/zinc/26/26/34/458262634.db2.gz BBZCPFZWSAVZEE-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccsc1C[NH+](C)CC(O)C[N@@H+](C)Cc1sccc1C ZINC000447115651 458266493 /nfs/dbraw/zinc/26/64/93/458266493.db2.gz GDLIFGHRFNOXRZ-UHFFFAOYSA-N 2 2 338.542 3.351 20 0 EGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000369614265 458289869 /nfs/dbraw/zinc/28/98/69/458289869.db2.gz WSPBWGGSXZNTLH-SFHVURJKSA-N 2 2 347.422 3.075 20 0 EGADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000369614265 458289872 /nfs/dbraw/zinc/28/98/72/458289872.db2.gz WSPBWGGSXZNTLH-SFHVURJKSA-N 2 2 347.422 3.075 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000436497501 458315281 /nfs/dbraw/zinc/31/52/81/458315281.db2.gz SZDIQURQDOWUJD-UHFFFAOYSA-N 2 2 338.455 3.357 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2scnc2C2CC2)cc1 ZINC000414902996 458326058 /nfs/dbraw/zinc/32/60/58/458326058.db2.gz ZHPKXJUDNZAMPY-HOTGVXAUSA-N 2 2 331.460 3.395 20 0 EGADLP CC[C@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](CC)CC ZINC000447675342 458328018 /nfs/dbraw/zinc/32/80/18/458328018.db2.gz ARERMLBGKQKVKP-GOSISDBHSA-N 2 2 346.519 3.046 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422349 458331540 /nfs/dbraw/zinc/33/15/40/458331540.db2.gz ZDAMCURTNJJOGS-QKNQBKEWSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422349 458331543 /nfs/dbraw/zinc/33/15/43/458331543.db2.gz ZDAMCURTNJJOGS-QKNQBKEWSA-N 2 2 346.515 3.071 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000447895515 458363273 /nfs/dbraw/zinc/36/32/73/458363273.db2.gz CEYGRMKCVWVSEX-KXBFYZLASA-N 2 2 326.488 3.037 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000447895515 458363278 /nfs/dbraw/zinc/36/32/78/458363278.db2.gz CEYGRMKCVWVSEX-KXBFYZLASA-N 2 2 326.488 3.037 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032695 458383167 /nfs/dbraw/zinc/38/31/67/458383167.db2.gz XHXPCJWKVZTKPH-RTBURBONSA-N 2 2 349.563 3.364 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032695 458383171 /nfs/dbraw/zinc/38/31/71/458383171.db2.gz XHXPCJWKVZTKPH-RTBURBONSA-N 2 2 349.563 3.364 20 0 EGADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000459543080 458406354 /nfs/dbraw/zinc/40/63/54/458406354.db2.gz XBVJJSMOEUHPQU-UHFFFAOYSA-N 2 2 346.515 3.123 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(F)cc1N(C)C ZINC000423499587 458443783 /nfs/dbraw/zinc/44/37/83/458443783.db2.gz CDRXXHNXWMRQDN-ZOCIIQOWSA-N 2 2 327.447 3.298 20 0 EGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423519907 458449873 /nfs/dbraw/zinc/44/98/73/458449873.db2.gz JRWNSPFEGYIUDV-MAUKXSAKSA-N 2 2 326.440 3.001 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000430560979 458462249 /nfs/dbraw/zinc/46/22/49/458462249.db2.gz JHSQHBZRGIJHJI-HZPDHXFCSA-N 2 2 349.544 3.209 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000430560979 458462251 /nfs/dbraw/zinc/46/22/51/458462251.db2.gz JHSQHBZRGIJHJI-HZPDHXFCSA-N 2 2 349.544 3.209 20 0 EGADLP CC[C@@H](NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575379 458463254 /nfs/dbraw/zinc/46/32/54/458463254.db2.gz KNPPCVKTMMPJSU-DLBZAZTESA-N 2 2 339.911 3.213 20 0 EGADLP CC[C@@H](NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1ccc(Cl)cc1 ZINC000430575379 458463258 /nfs/dbraw/zinc/46/32/58/458463258.db2.gz KNPPCVKTMMPJSU-DLBZAZTESA-N 2 2 339.911 3.213 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588829 458467635 /nfs/dbraw/zinc/46/76/35/458467635.db2.gz GGHPJQLQOSBTTR-YJBOKZPZSA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000430588829 458467639 /nfs/dbraw/zinc/46/76/39/458467639.db2.gz GGHPJQLQOSBTTR-YJBOKZPZSA-N 2 2 327.472 3.472 20 0 EGADLP COC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000373363855 458472077 /nfs/dbraw/zinc/47/20/77/458472077.db2.gz IILOVEPXHLRDNK-KRWDZBQOSA-N 2 2 333.863 3.393 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)CCC2 ZINC000373392964 458480854 /nfs/dbraw/zinc/48/08/54/458480854.db2.gz ZISHFQMUKRXRLB-HNNXBMFYSA-N 2 2 339.418 3.184 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000430806375 458493264 /nfs/dbraw/zinc/49/32/64/458493264.db2.gz IIUBHVDOWUQNFH-UHFFFAOYSA-N 2 2 326.444 3.288 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430920037 458505687 /nfs/dbraw/zinc/50/56/87/458505687.db2.gz NFNQFNIVNXIJQX-HNAYVOBHSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430920037 458505691 /nfs/dbraw/zinc/50/56/91/458505691.db2.gz NFNQFNIVNXIJQX-HNAYVOBHSA-N 2 2 339.439 3.087 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000430924669 458506119 /nfs/dbraw/zinc/50/61/19/458506119.db2.gz BENIIIXPKVWHDL-UHFFFAOYSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H](Cc1ccccc1F)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000438086981 458529141 /nfs/dbraw/zinc/52/91/41/458529141.db2.gz JDJFZKKRKULZAU-OAHLLOKOSA-N 2 2 328.435 3.016 20 0 EGADLP Cc1nc([C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377821072 458541184 /nfs/dbraw/zinc/54/11/84/458541184.db2.gz KJNIKUXGQCKIPK-MRXNPFEDSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1nc([C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377821072 458541189 /nfs/dbraw/zinc/54/11/89/458541189.db2.gz KJNIKUXGQCKIPK-MRXNPFEDSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(F)c1 ZINC000424181892 458578782 /nfs/dbraw/zinc/57/87/82/458578782.db2.gz YMROJEJUUBBCHG-KRWDZBQOSA-N 2 2 346.421 3.130 20 0 EGADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000424181892 458578784 /nfs/dbraw/zinc/57/87/84/458578784.db2.gz YMROJEJUUBBCHG-KRWDZBQOSA-N 2 2 346.421 3.130 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493890453 458595360 /nfs/dbraw/zinc/59/53/60/458595360.db2.gz DQOWMIMZZPZJSA-UAFMIMERSA-N 2 2 328.500 3.097 20 0 EGADLP CC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000462365486 458614383 /nfs/dbraw/zinc/61/43/83/458614383.db2.gz LRXBRONQSJDBIG-ICSRJNTNSA-N 2 2 346.515 3.456 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369017 458649533 /nfs/dbraw/zinc/64/95/33/458649533.db2.gz HRHANHKYZIPILV-KDOFPFPSSA-N 2 2 338.455 3.303 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369017 458649536 /nfs/dbraw/zinc/64/95/36/458649536.db2.gz HRHANHKYZIPILV-KDOFPFPSSA-N 2 2 338.455 3.303 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000456394742 458661885 /nfs/dbraw/zinc/66/18/85/458661885.db2.gz RCAXZZUWBLWHFE-OAHLLOKOSA-N 2 2 340.471 3.378 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000456394742 458661889 /nfs/dbraw/zinc/66/18/89/458661889.db2.gz RCAXZZUWBLWHFE-OAHLLOKOSA-N 2 2 340.471 3.378 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000456408946 458667336 /nfs/dbraw/zinc/66/73/36/458667336.db2.gz ZPIOPYAWHRBENO-DOTOQJQBSA-N 2 2 328.460 3.163 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)CC3 ZINC000547309980 458716692 /nfs/dbraw/zinc/71/66/92/458716692.db2.gz WPCUJQNMUYZLEV-HOTGVXAUSA-N 2 2 341.499 3.498 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)C[NH+]1CCCCC1)CC3 ZINC000547309979 458717418 /nfs/dbraw/zinc/71/74/18/458717418.db2.gz WPCUJQNMUYZLEV-CVEARBPZSA-N 2 2 341.499 3.498 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC000432408392 458734048 /nfs/dbraw/zinc/73/40/48/458734048.db2.gz BNXOAAXWZMBHST-HUUCEWRRSA-N 2 2 325.522 3.418 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC000432408392 458734055 /nfs/dbraw/zinc/73/40/55/458734055.db2.gz BNXOAAXWZMBHST-HUUCEWRRSA-N 2 2 325.522 3.418 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC000432408393 458734173 /nfs/dbraw/zinc/73/41/73/458734173.db2.gz BNXOAAXWZMBHST-LSDHHAIUSA-N 2 2 325.522 3.418 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC000432408393 458734177 /nfs/dbraw/zinc/73/41/77/458734177.db2.gz BNXOAAXWZMBHST-LSDHHAIUSA-N 2 2 325.522 3.418 20 0 EGADLP CCC(CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464317465 458742789 /nfs/dbraw/zinc/74/27/89/458742789.db2.gz JPQLDBPOBLOZPD-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP CCC(CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464317465 458742792 /nfs/dbraw/zinc/74/27/92/458742792.db2.gz JPQLDBPOBLOZPD-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccc4[nH]cnc4c3)C1)CCCC2 ZINC000547691498 458774381 /nfs/dbraw/zinc/77/43/81/458774381.db2.gz SYAPAICDXONKOQ-INIZCTEOSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccc4[nH]cnc4c3)C1)CCCC2 ZINC000547691498 458774387 /nfs/dbraw/zinc/77/43/87/458774387.db2.gz SYAPAICDXONKOQ-INIZCTEOSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccc4nc[nH]c4c3)C1)CCCC2 ZINC000547691498 458774391 /nfs/dbraw/zinc/77/43/91/458774391.db2.gz SYAPAICDXONKOQ-INIZCTEOSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccc4nc[nH]c4c3)C1)CCCC2 ZINC000547691498 458774397 /nfs/dbraw/zinc/77/43/97/458774397.db2.gz SYAPAICDXONKOQ-INIZCTEOSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463787 458798610 /nfs/dbraw/zinc/79/86/10/458798610.db2.gz GBPRMPJFFIAVOK-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463787 458798613 /nfs/dbraw/zinc/79/86/13/458798613.db2.gz GBPRMPJFFIAVOK-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000472463787 458798618 /nfs/dbraw/zinc/79/86/18/458798618.db2.gz GBPRMPJFFIAVOK-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000472463787 458798620 /nfs/dbraw/zinc/79/86/20/458798620.db2.gz GBPRMPJFFIAVOK-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828540 458801142 /nfs/dbraw/zinc/80/11/42/458801142.db2.gz ZHIXZBSVHLNYBO-UYAOXDASSA-N 3 2 326.488 3.164 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828540 458801148 /nfs/dbraw/zinc/80/11/48/458801148.db2.gz ZHIXZBSVHLNYBO-UYAOXDASSA-N 3 2 326.488 3.164 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000474022271 458855413 /nfs/dbraw/zinc/85/54/13/458855413.db2.gz JAQCBEVNFNALHT-FXAWDEMLSA-N 2 2 346.515 3.364 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000474022271 458855419 /nfs/dbraw/zinc/85/54/19/458855419.db2.gz JAQCBEVNFNALHT-FXAWDEMLSA-N 2 2 346.515 3.364 20 0 EGADLP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000495597007 458892127 /nfs/dbraw/zinc/89/21/27/458892127.db2.gz SYBCNRFSWJYNGS-IBGZPJMESA-N 2 2 344.459 3.071 20 0 EGADLP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000495597007 458892129 /nfs/dbraw/zinc/89/21/29/458892129.db2.gz SYBCNRFSWJYNGS-IBGZPJMESA-N 2 2 344.459 3.071 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000518790864 458894340 /nfs/dbraw/zinc/89/43/40/458894340.db2.gz PPYLSRQEUNVRDV-QZTJIDSGSA-N 2 2 332.513 3.243 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000518790864 458894341 /nfs/dbraw/zinc/89/43/41/458894341.db2.gz PPYLSRQEUNVRDV-QZTJIDSGSA-N 2 2 332.513 3.243 20 0 EGADLP C[C@H]([NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CCOC1 ZINC000474723311 458899464 /nfs/dbraw/zinc/89/94/64/458899464.db2.gz DVHMZBGIIXFNJI-FFZOFVMBSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@H]([NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@H]1CCOC1 ZINC000474723311 458899467 /nfs/dbraw/zinc/89/94/67/458899467.db2.gz DVHMZBGIIXFNJI-FFZOFVMBSA-N 2 2 330.516 3.474 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378346 458907998 /nfs/dbraw/zinc/90/79/98/458907998.db2.gz BKNIASYEIYTAQB-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378346 458908003 /nfs/dbraw/zinc/90/80/03/458908003.db2.gz BKNIASYEIYTAQB-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378346 458908009 /nfs/dbraw/zinc/90/80/09/458908009.db2.gz BKNIASYEIYTAQB-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)C[C@@H]1C ZINC000531378346 458908011 /nfs/dbraw/zinc/90/80/11/458908011.db2.gz BKNIASYEIYTAQB-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)c1 ZINC000519189326 458923565 /nfs/dbraw/zinc/92/35/65/458923565.db2.gz ZXESMSYPANZKRP-QGZVFWFLSA-N 2 2 325.456 3.234 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346061 458925152 /nfs/dbraw/zinc/92/51/52/458925152.db2.gz IQBSMCLDKUSZBK-PKOBYXMFSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346061 458925153 /nfs/dbraw/zinc/92/51/53/458925153.db2.gz IQBSMCLDKUSZBK-PKOBYXMFSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346061 458925154 /nfs/dbraw/zinc/92/51/54/458925154.db2.gz IQBSMCLDKUSZBK-PKOBYXMFSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346061 458925156 /nfs/dbraw/zinc/92/51/56/458925156.db2.gz IQBSMCLDKUSZBK-PKOBYXMFSA-N 2 2 347.478 3.127 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000531988077 459012927 /nfs/dbraw/zinc/01/29/27/459012927.db2.gz PTEAUNQYCAKCMQ-NVXWUHKLSA-N 2 2 340.471 3.384 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c2[nH+]ccn21 ZINC000556832704 459017491 /nfs/dbraw/zinc/01/74/91/459017491.db2.gz ZSJSSJWGQZVDPN-YJBOKZPZSA-N 2 2 338.455 3.305 20 0 EGADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924636 459022813 /nfs/dbraw/zinc/02/28/13/459022813.db2.gz RZSYANTXFFPPLW-ZWKOTPCHSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)sc1Br ZINC000577373457 459024491 /nfs/dbraw/zinc/02/44/91/459024491.db2.gz RTSMGYMDFNKDQT-AWEZNQCLSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)sc1Br ZINC000577373457 459024495 /nfs/dbraw/zinc/02/44/95/459024495.db2.gz RTSMGYMDFNKDQT-AWEZNQCLSA-N 2 2 329.307 3.395 20 0 EGADLP C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761943 459033381 /nfs/dbraw/zinc/03/33/81/459033381.db2.gz ZGAIFIZUTDODCU-NNQSOWQGSA-N 2 2 333.382 3.335 20 0 EGADLP C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761943 459033386 /nfs/dbraw/zinc/03/33/86/459033386.db2.gz ZGAIFIZUTDODCU-NNQSOWQGSA-N 2 2 333.382 3.335 20 0 EGADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000567017174 459034855 /nfs/dbraw/zinc/03/48/55/459034855.db2.gz VVYMBPYXXBDETE-QGZVFWFLSA-N 2 2 339.439 3.349 20 0 EGADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000567017174 459034858 /nfs/dbraw/zinc/03/48/58/459034858.db2.gz VVYMBPYXXBDETE-QGZVFWFLSA-N 2 2 339.439 3.349 20 0 EGADLP CC[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000442789282 459035884 /nfs/dbraw/zinc/03/58/84/459035884.db2.gz JVZKWBXDNNCBDX-WFFDWFOESA-N 2 2 349.906 3.122 20 0 EGADLP CC[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000442789282 459035890 /nfs/dbraw/zinc/03/58/90/459035890.db2.gz JVZKWBXDNNCBDX-WFFDWFOESA-N 2 2 349.906 3.122 20 0 EGADLP CC[C@H](NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)c1[nH]cc[nH+]1 ZINC000442798913 459037832 /nfs/dbraw/zinc/03/78/32/459037832.db2.gz HQWHBWSIAPIFHW-KRWDZBQOSA-N 2 2 326.444 3.275 20 0 EGADLP CC[C@H](NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1)c1[nH]cc[nH+]1 ZINC000442798913 459037833 /nfs/dbraw/zinc/03/78/33/459037833.db2.gz HQWHBWSIAPIFHW-KRWDZBQOSA-N 2 2 326.444 3.275 20 0 EGADLP Cn1cc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000577520517 459046017 /nfs/dbraw/zinc/04/60/17/459046017.db2.gz WXMUWQAOLBDJTE-SFHVURJKSA-N 2 2 334.414 3.112 20 0 EGADLP Cn1cc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000577520517 459046021 /nfs/dbraw/zinc/04/60/21/459046021.db2.gz WXMUWQAOLBDJTE-SFHVURJKSA-N 2 2 334.414 3.112 20 0 EGADLP C[N@H+](Cc1ncc(-c2ccccc2Br)o1)C1CC([NH3+])C1 ZINC000567239614 459072041 /nfs/dbraw/zinc/07/20/41/459072041.db2.gz WINRJYQAAIQDMS-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP C[N@@H+](Cc1ncc(-c2ccccc2Br)o1)C1CC([NH3+])C1 ZINC000567239614 459072045 /nfs/dbraw/zinc/07/20/45/459072045.db2.gz WINRJYQAAIQDMS-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1O ZINC000443014177 459075409 /nfs/dbraw/zinc/07/54/09/459075409.db2.gz PJSWPBVGTLYAFO-QRWLVFNGSA-N 2 2 328.456 3.490 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc3c(c1)CCC(=O)N3)CCC2 ZINC000532537716 459107917 /nfs/dbraw/zinc/10/79/17/459107917.db2.gz YEDXKMJYZZYQIQ-RHSMWYFYSA-N 2 2 338.455 3.304 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000594750101 459151292 /nfs/dbraw/zinc/15/12/92/459151292.db2.gz XUCYMJNPRQWQON-ICSRJNTNSA-N 2 2 343.515 3.033 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000594750101 459151293 /nfs/dbraw/zinc/15/12/93/459151293.db2.gz XUCYMJNPRQWQON-ICSRJNTNSA-N 2 2 343.515 3.033 20 0 EGADLP Fc1cccc(NCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000567716497 459152941 /nfs/dbraw/zinc/15/29/41/459152941.db2.gz RKXSEBIRVWGZBD-UHFFFAOYSA-N 2 2 342.462 3.277 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000521820393 459179410 /nfs/dbraw/zinc/17/94/10/459179410.db2.gz RRHONJVQAOVTRQ-MRXNPFEDSA-N 2 2 330.472 3.442 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000521820393 459179415 /nfs/dbraw/zinc/17/94/15/459179415.db2.gz RRHONJVQAOVTRQ-MRXNPFEDSA-N 2 2 330.472 3.442 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000567913567 459189822 /nfs/dbraw/zinc/18/98/22/459189822.db2.gz FLCGCUBJSVHPHN-IBGZPJMESA-N 2 2 340.471 3.170 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000567913567 459189827 /nfs/dbraw/zinc/18/98/27/459189827.db2.gz FLCGCUBJSVHPHN-IBGZPJMESA-N 2 2 340.471 3.170 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000496433582 459191644 /nfs/dbraw/zinc/19/16/44/459191644.db2.gz TXWDMFWJKYSRPT-HUUCEWRRSA-N 2 2 348.491 3.145 20 0 EGADLP c1nc2cc(C[NH2+]CC3([NH+]4CCSCC4)CCCCC3)ccc2[nH]1 ZINC000522113526 459215264 /nfs/dbraw/zinc/21/52/64/459215264.db2.gz OFDLWOJUBFIOFI-UHFFFAOYSA-N 2 2 344.528 3.404 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000533431983 459233486 /nfs/dbraw/zinc/23/34/86/459233486.db2.gz SRCHIJADALTYQP-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000533431983 459233493 /nfs/dbraw/zinc/23/34/93/459233493.db2.gz SRCHIJADALTYQP-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000533431983 459233500 /nfs/dbraw/zinc/23/35/00/459233500.db2.gz SRCHIJADALTYQP-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000533431983 459233508 /nfs/dbraw/zinc/23/35/08/459233508.db2.gz SRCHIJADALTYQP-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP Cc1ccc(Cl)cc1N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000568169439 459238375 /nfs/dbraw/zinc/23/83/75/459238375.db2.gz KBNAUZGRBFGDQT-UHFFFAOYSA-N 2 2 332.879 3.137 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000481651768 459267598 /nfs/dbraw/zinc/26/75/98/459267598.db2.gz QVXKNDOWTZEBCQ-GJZGRUSLSA-N 2 2 344.421 3.194 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000496649770 459273287 /nfs/dbraw/zinc/27/32/87/459273287.db2.gz LJMJIVDKIYUVGG-HZMVEIRTSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000559898777 459283045 /nfs/dbraw/zinc/28/30/45/459283045.db2.gz GCCGFIAAURUASY-DKZVUGQWSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000559898777 459283051 /nfs/dbraw/zinc/28/30/51/459283051.db2.gz GCCGFIAAURUASY-DKZVUGQWSA-N 2 2 336.479 3.244 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(=O)Nc1cccc(F)c1C)CCC2 ZINC000568502017 459298309 /nfs/dbraw/zinc/29/83/09/459298309.db2.gz KREFQLAMJMUYCE-OAHLLOKOSA-N 2 2 344.434 3.135 20 0 EGADLP Fc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1Br ZINC000560146029 459306079 /nfs/dbraw/zinc/30/60/79/459306079.db2.gz MUGXQCVTKIREOJ-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082572 459310604 /nfs/dbraw/zinc/31/06/04/459310604.db2.gz QAQOSAMQDPRDFW-IAGOWNOFSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082572 459310610 /nfs/dbraw/zinc/31/06/10/459310610.db2.gz QAQOSAMQDPRDFW-IAGOWNOFSA-N 2 2 326.444 3.164 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534326117 459313672 /nfs/dbraw/zinc/31/36/72/459313672.db2.gz SZJHFWIYIZFLRQ-DLBZAZTESA-N 2 2 332.492 3.142 20 0 EGADLP COc1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)O[C@@H](C)C2 ZINC000534333589 459316079 /nfs/dbraw/zinc/31/60/79/459316079.db2.gz IUHAZZNPSSFPDS-INIZCTEOSA-N 2 2 344.499 3.469 20 0 EGADLP CC(C)COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000568782348 459345138 /nfs/dbraw/zinc/34/51/38/459345138.db2.gz NXCCPJONGREIQZ-FQEVSTJZSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000568782348 459345143 /nfs/dbraw/zinc/34/51/43/459345143.db2.gz NXCCPJONGREIQZ-FQEVSTJZSA-N 2 2 346.515 3.408 20 0 EGADLP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000568807901 459348490 /nfs/dbraw/zinc/34/84/90/459348490.db2.gz SJIPZJQYJAILLH-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)Cc2ccccc2C1 ZINC000534798199 459353130 /nfs/dbraw/zinc/35/31/30/459353130.db2.gz HCHHGVAMNVZZBM-ZCNNSNEGSA-N 2 2 340.511 3.023 20 0 EGADLP CSCCCCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000591761157 459430188 /nfs/dbraw/zinc/43/01/88/459430188.db2.gz ZQGYJTZQJDWTGQ-INIZCTEOSA-N 2 2 335.517 3.137 20 0 EGADLP C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000582953581 459457449 /nfs/dbraw/zinc/45/74/49/459457449.db2.gz OUWZCYIOKFIENA-INIZCTEOSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000582953581 459457454 /nfs/dbraw/zinc/45/74/54/459457454.db2.gz OUWZCYIOKFIENA-INIZCTEOSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495593 459461774 /nfs/dbraw/zinc/46/17/74/459461774.db2.gz HHPATHVIQKDGSI-JKSUJKDBSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495593 459461783 /nfs/dbraw/zinc/46/17/83/459461783.db2.gz HHPATHVIQKDGSI-JKSUJKDBSA-N 2 2 339.439 3.229 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000541572525 459467675 /nfs/dbraw/zinc/46/76/75/459467675.db2.gz QBIJOBTYRCPNEF-PEKVBPLLSA-N 2 2 343.515 3.011 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000562097255 459511397 /nfs/dbraw/zinc/51/13/97/459511397.db2.gz OBDDWGOBOGZCFW-FRFSOERESA-N 2 2 326.406 3.480 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000562097255 459511403 /nfs/dbraw/zinc/51/14/03/459511403.db2.gz OBDDWGOBOGZCFW-FRFSOERESA-N 2 2 326.406 3.480 20 0 EGADLP O=C(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccccc1 ZINC000583340568 459524475 /nfs/dbraw/zinc/52/44/75/459524475.db2.gz WJKVHRIYKDCPPW-UHFFFAOYSA-N 2 2 338.386 3.130 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000583449128 459541273 /nfs/dbraw/zinc/54/12/73/459541273.db2.gz CFQMYBICIOJWEV-DNVCBOLYSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000583449128 459541280 /nfs/dbraw/zinc/54/12/80/459541280.db2.gz CFQMYBICIOJWEV-DNVCBOLYSA-N 2 2 348.450 3.036 20 0 EGADLP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000583532707 459553972 /nfs/dbraw/zinc/55/39/72/459553972.db2.gz OIAHISVKDIHVBU-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000583532707 459553979 /nfs/dbraw/zinc/55/39/79/459553979.db2.gz OIAHISVKDIHVBU-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCc3cccs3)c2cc1C ZINC000583867088 459609806 /nfs/dbraw/zinc/60/98/06/459609806.db2.gz RLYCJAOUMRQHRZ-INIZCTEOSA-N 2 2 343.496 3.298 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2noc3ccccc23)[C@@H](C)C1 ZINC000573137506 459632144 /nfs/dbraw/zinc/63/21/44/459632144.db2.gz PHTUIUPQAVJFGH-DOTOQJQBSA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2noc3ccccc23)[C@@H](C)C1 ZINC000573137506 459632149 /nfs/dbraw/zinc/63/21/49/459632149.db2.gz PHTUIUPQAVJFGH-DOTOQJQBSA-N 2 2 331.460 3.054 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000584048197 459640993 /nfs/dbraw/zinc/64/09/93/459640993.db2.gz GTKROOUZOODBKR-SFHVURJKSA-N 2 2 326.440 3.024 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000584048197 459640998 /nfs/dbraw/zinc/64/09/98/459640998.db2.gz GTKROOUZOODBKR-SFHVURJKSA-N 2 2 326.440 3.024 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000527520186 459653889 /nfs/dbraw/zinc/65/38/89/459653889.db2.gz HECJSQQQUAWPPM-CVEARBPZSA-N 2 2 331.460 3.462 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000573436747 459677564 /nfs/dbraw/zinc/67/75/64/459677564.db2.gz FUSZTMWYMIYBFG-MNEFBYGVSA-N 2 2 335.923 3.455 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562962638 459680624 /nfs/dbraw/zinc/68/06/24/459680624.db2.gz GHYCISAABBZYID-CFLQYTFWSA-N 2 2 349.478 3.323 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675297 459695173 /nfs/dbraw/zinc/69/51/73/459695173.db2.gz RYJBDVIGDCEQQE-RISCZKNCSA-N 2 2 328.378 3.429 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675297 459695177 /nfs/dbraw/zinc/69/51/77/459695177.db2.gz RYJBDVIGDCEQQE-RISCZKNCSA-N 2 2 328.378 3.429 20 0 EGADLP COc1cccc([C@H](C[NH2+]Cc2c[nH+]c3c(C)cccn23)OC)c1 ZINC000527737226 459720258 /nfs/dbraw/zinc/72/02/58/459720258.db2.gz MSFYNQYEFUXRIG-SFHVURJKSA-N 2 2 325.412 3.129 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000563135115 459722428 /nfs/dbraw/zinc/72/24/28/459722428.db2.gz FXDBMFAMTWJYBU-HUUCEWRRSA-N 2 2 338.879 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000563135115 459722435 /nfs/dbraw/zinc/72/24/35/459722435.db2.gz FXDBMFAMTWJYBU-HUUCEWRRSA-N 2 2 338.879 3.179 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214688 459740072 /nfs/dbraw/zinc/74/00/72/459740072.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214688 459740078 /nfs/dbraw/zinc/74/00/78/459740078.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[NH+](C)CC[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214688 459740084 /nfs/dbraw/zinc/74/00/84/459740084.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[NH+](C)CC[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000563214688 459740087 /nfs/dbraw/zinc/74/00/87/459740087.db2.gz CVRKRXICARLHIW-MSOLQXFVSA-N 3 2 335.561 3.295 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C[C@H](C)n3cc[nH+]c3)c2C1 ZINC000563248449 459748165 /nfs/dbraw/zinc/74/81/65/459748165.db2.gz AXJUUKHCJBIHHL-HNNXBMFYSA-N 2 2 326.444 3.445 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@H](C)n3cc[nH+]c3)c2C1 ZINC000563248449 459748170 /nfs/dbraw/zinc/74/81/70/459748170.db2.gz AXJUUKHCJBIHHL-HNNXBMFYSA-N 2 2 326.444 3.445 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544364100 459751281 /nfs/dbraw/zinc/75/12/81/459751281.db2.gz DPAOOICRBBDSPV-VXKWHMMOSA-N 2 2 338.495 3.498 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544364100 459751286 /nfs/dbraw/zinc/75/12/86/459751286.db2.gz DPAOOICRBBDSPV-VXKWHMMOSA-N 2 2 338.495 3.498 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544364098 459752129 /nfs/dbraw/zinc/75/21/29/459752129.db2.gz DPAOOICRBBDSPV-FCHUYYIVSA-N 2 2 338.495 3.498 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544364098 459752136 /nfs/dbraw/zinc/75/21/36/459752136.db2.gz DPAOOICRBBDSPV-FCHUYYIVSA-N 2 2 338.495 3.498 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCC(F)(F)C3)c2cc1C ZINC000584524822 459761632 /nfs/dbraw/zinc/76/16/32/459761632.db2.gz KBHIRRVQYUFHBT-LSDHHAIUSA-N 2 2 337.414 3.182 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000544566805 459768766 /nfs/dbraw/zinc/76/87/66/459768766.db2.gz LJPOQTJCNGZVIQ-NEWSRXKRSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000544566805 459768769 /nfs/dbraw/zinc/76/87/69/459768769.db2.gz LJPOQTJCNGZVIQ-NEWSRXKRSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c2[nH+]ccn21 ZINC000584573528 459769590 /nfs/dbraw/zinc/76/95/90/459769590.db2.gz DZTYXSPYXIAKJA-OAUYIBNBSA-N 2 2 339.443 3.260 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000574052008 459774008 /nfs/dbraw/zinc/77/40/08/459774008.db2.gz QUSNCUAMJNRKMQ-UHFFFAOYSA-N 2 2 336.439 3.024 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC000574052008 459774015 /nfs/dbraw/zinc/77/40/15/459774015.db2.gz QUSNCUAMJNRKMQ-UHFFFAOYSA-N 2 2 336.439 3.024 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000574168822 459788318 /nfs/dbraw/zinc/78/83/18/459788318.db2.gz JQSPARONYCKYIM-QUCCMNQESA-N 3 2 340.515 3.338 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000574168822 459788322 /nfs/dbraw/zinc/78/83/22/459788322.db2.gz JQSPARONYCKYIM-QUCCMNQESA-N 3 2 340.515 3.338 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168822 459788327 /nfs/dbraw/zinc/78/83/27/459788327.db2.gz JQSPARONYCKYIM-QUCCMNQESA-N 3 2 340.515 3.338 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168822 459788332 /nfs/dbraw/zinc/78/83/32/459788332.db2.gz JQSPARONYCKYIM-QUCCMNQESA-N 3 2 340.515 3.338 20 0 EGADLP CCCOc1cccc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000566018031 459793643 /nfs/dbraw/zinc/79/36/43/459793643.db2.gz RWKSSSCUWNTDMR-QGZVFWFLSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)n2)c1 ZINC000566088959 459803118 /nfs/dbraw/zinc/80/31/18/459803118.db2.gz VRPFUTYJDDYARQ-HRCADAONSA-N 2 2 342.491 3.137 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000566108856 459806177 /nfs/dbraw/zinc/80/61/77/459806177.db2.gz GKYHXSPNLFLMII-HOTGVXAUSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000566298904 459837683 /nfs/dbraw/zinc/83/76/83/459837683.db2.gz JXJJYDCEDUAQRP-ABSDTBQOSA-N 2 2 327.472 3.360 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000566298904 459837685 /nfs/dbraw/zinc/83/76/85/459837685.db2.gz JXJJYDCEDUAQRP-ABSDTBQOSA-N 2 2 327.472 3.360 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412699 459861588 /nfs/dbraw/zinc/86/15/88/459861588.db2.gz JSEYTULBUOXUDL-HKUYNNGSSA-N 2 2 337.467 3.031 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412699 459861595 /nfs/dbraw/zinc/86/15/95/459861595.db2.gz JSEYTULBUOXUDL-HKUYNNGSSA-N 2 2 337.467 3.031 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)[nH]1 ZINC000602503331 459971523 /nfs/dbraw/zinc/97/15/23/459971523.db2.gz MKGYKTVMCSIIPA-UHFFFAOYSA-N 2 2 340.427 3.029 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000575426911 459974233 /nfs/dbraw/zinc/97/42/33/459974233.db2.gz DCMWQTNTUZXHST-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000575426911 459974239 /nfs/dbraw/zinc/97/42/39/459974239.db2.gz DCMWQTNTUZXHST-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1c2ccc(NC(=O)CC[C@H]3CCC[NH2+]C3)cc2[nH+]c1C1CC1 ZINC000621658608 459998804 /nfs/dbraw/zinc/99/88/04/459998804.db2.gz MVRONKWCFKFKLU-CYBMUJFWSA-N 2 2 326.444 3.169 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602566111 459999376 /nfs/dbraw/zinc/99/93/76/459999376.db2.gz DFRTYECQJXVKOY-WPHJULLESA-N 2 2 334.529 3.101 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602566111 459999381 /nfs/dbraw/zinc/99/93/81/459999381.db2.gz DFRTYECQJXVKOY-WPHJULLESA-N 2 2 334.529 3.101 20 0 EGADLP Cc1nccnc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719534 460025406 /nfs/dbraw/zinc/02/54/06/460025406.db2.gz PSFMOLPGWMJTKA-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000621719534 460025411 /nfs/dbraw/zinc/02/54/11/460025411.db2.gz PSFMOLPGWMJTKA-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000621719534 460025418 /nfs/dbraw/zinc/02/54/18/460025418.db2.gz PSFMOLPGWMJTKA-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000621719534 460025422 /nfs/dbraw/zinc/02/54/22/460025422.db2.gz PSFMOLPGWMJTKA-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCC(C)(C)c2ccccc2)CC1 ZINC000589731443 460133309 /nfs/dbraw/zinc/13/33/09/460133309.db2.gz CZRNWLNESBUXHU-UHFFFAOYSA-N 2 2 346.515 3.362 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000576505064 460155576 /nfs/dbraw/zinc/15/55/76/460155576.db2.gz GEYYPVRUALUIKV-LEWJYISDSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000576505064 460155584 /nfs/dbraw/zinc/15/55/84/460155584.db2.gz GEYYPVRUALUIKV-LEWJYISDSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576505064 460155589 /nfs/dbraw/zinc/15/55/89/460155589.db2.gz GEYYPVRUALUIKV-LEWJYISDSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576505064 460155596 /nfs/dbraw/zinc/15/55/96/460155596.db2.gz GEYYPVRUALUIKV-LEWJYISDSA-N 3 2 329.532 3.172 20 0 EGADLP Clc1ccc(SCC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625546114 460203831 /nfs/dbraw/zinc/20/38/31/460203831.db2.gz NBGDQWQGQXPPAU-UHFFFAOYSA-N 2 2 340.920 3.229 20 0 EGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)OC)c1ccccc1 ZINC000599659818 460301119 /nfs/dbraw/zinc/30/11/19/460301119.db2.gz JUHGAQVJDHUBRH-HXUWFJFHSA-N 2 2 340.467 3.484 20 0 EGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)OC)c1ccccc1 ZINC000599659818 460301124 /nfs/dbraw/zinc/30/11/24/460301124.db2.gz JUHGAQVJDHUBRH-HXUWFJFHSA-N 2 2 340.467 3.484 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740927 460338214 /nfs/dbraw/zinc/33/82/14/460338214.db2.gz XUXUEDMPSCTFRB-QYZOEREBSA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740927 460338217 /nfs/dbraw/zinc/33/82/17/460338217.db2.gz XUXUEDMPSCTFRB-QYZOEREBSA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740927 460338219 /nfs/dbraw/zinc/33/82/19/460338219.db2.gz XUXUEDMPSCTFRB-QYZOEREBSA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740927 460338222 /nfs/dbraw/zinc/33/82/22/460338222.db2.gz XUXUEDMPSCTFRB-QYZOEREBSA-N 2 2 344.499 3.413 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000626089146 460367351 /nfs/dbraw/zinc/36/73/51/460367351.db2.gz CBVAFSMKGSJZPE-UHFFFAOYSA-N 2 2 332.488 3.080 20 0 EGADLP Cc1cc(N2CCC(C)([NH+]3CCCC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000631445664 460382392 /nfs/dbraw/zinc/38/23/92/460382392.db2.gz LEWIJZXUAWYOSI-UHFFFAOYSA-N 2 2 337.471 3.302 20 0 EGADLP CCOc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)ccc1OC ZINC000623089110 460409037 /nfs/dbraw/zinc/40/90/37/460409037.db2.gz UYNUYNKHEKRMML-UHFFFAOYSA-N 2 2 342.430 3.161 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC(c4ccccc4)C3)c2cc1C ZINC000634651246 460459151 /nfs/dbraw/zinc/45/91/51/460459151.db2.gz JSEBRCRCXNQBFV-IBGZPJMESA-N 2 2 335.451 3.113 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000619900090 460465670 /nfs/dbraw/zinc/46/56/70/460465670.db2.gz SDBWHRCWQPSKKR-INIZCTEOSA-N 2 2 325.412 3.088 20 0 EGADLP CCC[N@H+]1CC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000619900090 460465675 /nfs/dbraw/zinc/46/56/75/460465675.db2.gz SDBWHRCWQPSKKR-INIZCTEOSA-N 2 2 325.412 3.088 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000604771501 460477385 /nfs/dbraw/zinc/47/73/85/460477385.db2.gz AMOWGTBZQSOKIC-KBXCAEBGSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000604771501 460477391 /nfs/dbraw/zinc/47/73/91/460477391.db2.gz AMOWGTBZQSOKIC-KBXCAEBGSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732900 460497523 /nfs/dbraw/zinc/49/75/23/460497523.db2.gz ROYXACQBVCQOKM-MISYRCLQSA-N 3 2 329.532 3.407 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732900 460497530 /nfs/dbraw/zinc/49/75/30/460497530.db2.gz ROYXACQBVCQOKM-MISYRCLQSA-N 3 2 329.532 3.407 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631665827 460499112 /nfs/dbraw/zinc/49/91/12/460499112.db2.gz YCJCZOCHSMLQJH-ZIFCJYIRSA-N 2 2 326.488 3.322 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631665827 460499117 /nfs/dbraw/zinc/49/91/17/460499117.db2.gz YCJCZOCHSMLQJH-ZIFCJYIRSA-N 2 2 326.488 3.322 20 0 EGADLP CCOC(=O)C1(C)CC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000601267315 460769986 /nfs/dbraw/zinc/76/99/86/460769986.db2.gz WFROJWJHDSFCNY-OHTSDLOESA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCc4scnc43)[nH+]c2)C1 ZINC000623943585 460788953 /nfs/dbraw/zinc/78/89/53/460788953.db2.gz BKYYCVYSDQWMAP-LSDHHAIUSA-N 2 2 343.500 3.168 20 0 EGADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2scnc21 ZINC000623984618 460810874 /nfs/dbraw/zinc/81/08/74/460810874.db2.gz QOYHIKWMOPJNQN-HNNXBMFYSA-N 2 2 346.500 3.036 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000617348892 460824210 /nfs/dbraw/zinc/82/42/10/460824210.db2.gz IGZXYCMHINMEAA-INIZCTEOSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000617348892 460824216 /nfs/dbraw/zinc/82/42/16/460824216.db2.gz IGZXYCMHINMEAA-INIZCTEOSA-N 2 2 339.439 3.477 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)ccc2n1C ZINC000635627319 460861903 /nfs/dbraw/zinc/86/19/03/460861903.db2.gz YSUOVJSENOCOIO-KRWDZBQOSA-N 2 2 325.416 3.304 20 0 EGADLP C[NH+](C)CCOc1cccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)c1 ZINC000629701668 460875226 /nfs/dbraw/zinc/87/52/26/460875226.db2.gz XUBJZDAHEPYBHY-IBGZPJMESA-N 2 2 341.455 3.280 20 0 EGADLP C[NH+](C)CCOc1cccc(-c2ccc(N3CCSCC3)[nH+]c2)c1 ZINC000629701694 460876143 /nfs/dbraw/zinc/87/61/43/460876143.db2.gz YAGJQAXIDAVWAC-UHFFFAOYSA-N 2 2 343.496 3.242 20 0 EGADLP C[C@@H](c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1)N1CC[NH2+]CC1 ZINC000629709984 460881682 /nfs/dbraw/zinc/88/16/82/460881682.db2.gz PMIPHLIRTXFJHQ-KRWDZBQOSA-N 2 2 336.483 3.315 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cccc([C@@H]3C[NH2+]CCO3)c2)c1 ZINC000629731292 460893684 /nfs/dbraw/zinc/89/36/84/460893684.db2.gz IRNMFYPDIZCSGX-FQEVSTJZSA-N 2 2 337.398 3.398 20 0 EGADLP CCOCCCNc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)c[nH+]1 ZINC000629739242 460897944 /nfs/dbraw/zinc/89/79/44/460897944.db2.gz YVVWZSQESIQXAR-UHFFFAOYSA-N 2 2 331.435 3.210 20 0 EGADLP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000607751706 460898810 /nfs/dbraw/zinc/89/88/10/460898810.db2.gz IUQDHMUTFSWTAK-SFHVURJKSA-N 2 2 346.515 3.017 20 0 EGADLP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000607751706 460898816 /nfs/dbraw/zinc/89/88/16/460898816.db2.gz IUQDHMUTFSWTAK-SFHVURJKSA-N 2 2 346.515 3.017 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000635810785 460934120 /nfs/dbraw/zinc/93/41/20/460934120.db2.gz JTKBLBUHQYIYPY-DNVCBOLYSA-N 2 2 336.439 3.064 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1CCC1 ZINC000629945499 460967113 /nfs/dbraw/zinc/96/71/13/460967113.db2.gz FGDAJWOFUYRZND-UHFFFAOYSA-N 2 2 326.444 3.186 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1CCC1 ZINC000629945499 460967119 /nfs/dbraw/zinc/96/71/19/460967119.db2.gz FGDAJWOFUYRZND-UHFFFAOYSA-N 2 2 326.444 3.186 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[N@H+](C)C2CCC2)c1 ZINC000629950259 460970173 /nfs/dbraw/zinc/97/01/73/460970173.db2.gz XZQCLMYMBRNTOC-UHFFFAOYSA-N 2 2 340.471 3.478 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000629950259 460970177 /nfs/dbraw/zinc/97/01/77/460970177.db2.gz XZQCLMYMBRNTOC-UHFFFAOYSA-N 2 2 340.471 3.478 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1C ZINC000602007280 460985780 /nfs/dbraw/zinc/98/57/80/460985780.db2.gz NCCKWQBXWBITJS-HNNXBMFYSA-N 2 2 343.471 3.031 20 0 EGADLP CCOc1cncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000621331037 460992099 /nfs/dbraw/zinc/99/20/99/460992099.db2.gz NZROSTCYVLERMF-UHFFFAOYSA-N 2 2 340.402 3.403 20 0 EGADLP COc1ccc(F)c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000621375945 461014850 /nfs/dbraw/zinc/01/48/50/461014850.db2.gz KVQHPKNSDABKNC-UHFFFAOYSA-N 2 2 334.357 3.341 20 0 EGADLP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c(Cl)cc1O ZINC000637888273 461105972 /nfs/dbraw/zinc/10/59/72/461105972.db2.gz GPRASLDRFXOUBF-UHFFFAOYSA-N 2 2 326.868 3.359 20 0 EGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(Cl)cc1O ZINC000637888273 461105978 /nfs/dbraw/zinc/10/59/78/461105978.db2.gz GPRASLDRFXOUBF-UHFFFAOYSA-N 2 2 326.868 3.359 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)cc2[nH+]1 ZINC000668152709 461140357 /nfs/dbraw/zinc/14/03/57/461140357.db2.gz WOOSKKAHHYUQPU-UHFFFAOYSA-N 2 2 343.475 3.228 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000652341199 461140556 /nfs/dbraw/zinc/14/05/56/461140556.db2.gz PWJKSJCDVQOPMY-GUXCAODWSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351390 461144405 /nfs/dbraw/zinc/14/44/05/461144405.db2.gz VMTJNWOKYICCPE-DEYYWGMASA-N 2 2 335.879 3.036 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351390 461144411 /nfs/dbraw/zinc/14/44/11/461144411.db2.gz VMTJNWOKYICCPE-DEYYWGMASA-N 2 2 335.879 3.036 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(Cc3ccccc3)n1)C2 ZINC000652352343 461146894 /nfs/dbraw/zinc/14/68/94/461146894.db2.gz HOMWKVLRHHWNGV-LPHOPBHVSA-N 2 2 327.497 3.295 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(Cc3ccccc3)n1)C2 ZINC000652352343 461146905 /nfs/dbraw/zinc/14/69/05/461146905.db2.gz HOMWKVLRHHWNGV-LPHOPBHVSA-N 2 2 327.497 3.295 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccn(-c3ccc(Cl)cc3)n1)C2 ZINC000652352765 461147025 /nfs/dbraw/zinc/14/70/25/461147025.db2.gz VCKNXYWYYMPCEQ-KSSFIOAISA-N 2 2 330.863 3.087 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccn(-c3ccc(Cl)cc3)n1)C2 ZINC000652352765 461147035 /nfs/dbraw/zinc/14/70/35/461147035.db2.gz VCKNXYWYYMPCEQ-KSSFIOAISA-N 2 2 330.863 3.087 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1CC[NH3+] ZINC000652353615 461148043 /nfs/dbraw/zinc/14/80/43/461148043.db2.gz VABOAXPHEGIDMH-CRAIPNDOSA-N 2 2 331.504 3.372 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1CC[NH3+] ZINC000652353615 461148047 /nfs/dbraw/zinc/14/80/47/461148047.db2.gz VABOAXPHEGIDMH-CRAIPNDOSA-N 2 2 331.504 3.372 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000668169234 461154528 /nfs/dbraw/zinc/15/45/28/461154528.db2.gz LHUPANKSQPUHGI-SFHVURJKSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000668169234 461154540 /nfs/dbraw/zinc/15/45/40/461154540.db2.gz LHUPANKSQPUHGI-SFHVURJKSA-N 2 2 349.438 3.039 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(c3[nH]cc[nH+]3)CC1)CC2 ZINC000637984974 461174356 /nfs/dbraw/zinc/17/43/56/461174356.db2.gz CRWKOURQFATHSQ-INIZCTEOSA-N 2 2 327.428 3.294 20 0 EGADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614708 461222289 /nfs/dbraw/zinc/22/22/89/461222289.db2.gz ZAYDNHHRQWWVDY-CVEARBPZSA-N 2 2 342.443 3.193 20 0 EGADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614708 461222294 /nfs/dbraw/zinc/22/22/94/461222294.db2.gz ZAYDNHHRQWWVDY-CVEARBPZSA-N 2 2 342.443 3.193 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)n1C ZINC000668281802 461224420 /nfs/dbraw/zinc/22/44/20/461224420.db2.gz CLQKGJJWWKIXRK-BBWFWOEESA-N 2 2 326.488 3.212 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)n1C ZINC000668281802 461224426 /nfs/dbraw/zinc/22/44/26/461224426.db2.gz CLQKGJJWWKIXRK-BBWFWOEESA-N 2 2 326.488 3.212 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000668567725 461334347 /nfs/dbraw/zinc/33/43/47/461334347.db2.gz ZMKSPCJCSDYBQP-IBGZPJMESA-N 2 2 334.467 3.083 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2cccc3[nH+]ccn32)C1 ZINC000668567725 461334349 /nfs/dbraw/zinc/33/43/49/461334349.db2.gz ZMKSPCJCSDYBQP-IBGZPJMESA-N 2 2 334.467 3.083 20 0 EGADLP CCn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(-c2ccccc2)n1 ZINC000641753464 461351921 /nfs/dbraw/zinc/35/19/21/461351921.db2.gz HTEDVYBJFFPNIE-UHFFFAOYSA-N 2 2 335.455 3.393 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)CCCC2 ZINC000655682836 461359318 /nfs/dbraw/zinc/35/93/18/461359318.db2.gz LMGIXDCQWYWFQE-IIBYNOLFSA-N 2 2 328.500 3.469 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@@H]1CCCn2cc[nH+]c21)Cc1ccccc1 ZINC000655688379 461363538 /nfs/dbraw/zinc/36/35/38/461363538.db2.gz YVNBSMQWRWHIMX-RBUKOAKNSA-N 2 2 326.488 3.261 20 0 EGADLP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655695543 461368148 /nfs/dbraw/zinc/36/81/48/461368148.db2.gz MNWRGOJMCIYMMX-SFHVURJKSA-N 2 2 340.467 3.191 20 0 EGADLP CC(C)C[C@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000668669444 461375329 /nfs/dbraw/zinc/37/53/29/461375329.db2.gz SYTBKBWZCFGKIY-MSOLQXFVSA-N 2 2 342.487 3.024 20 0 EGADLP NC(=O)[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000638343335 461376828 /nfs/dbraw/zinc/37/68/28/461376828.db2.gz LYHZFGXDIQLDGM-CEWLAPEOSA-N 2 2 349.478 3.171 20 0 EGADLP NC(=O)[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000638343335 461376832 /nfs/dbraw/zinc/37/68/32/461376832.db2.gz LYHZFGXDIQLDGM-CEWLAPEOSA-N 2 2 349.478 3.171 20 0 EGADLP CO[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000638345608 461377666 /nfs/dbraw/zinc/37/76/66/461377666.db2.gz WWXAQHURAACCBX-NRFANRHFSA-N 2 2 335.451 3.279 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000655719420 461388461 /nfs/dbraw/zinc/38/84/61/461388461.db2.gz SWPKCYGSMUYFCI-UHFFFAOYSA-N 2 2 342.462 3.426 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1Cl ZINC000668716205 461394610 /nfs/dbraw/zinc/39/46/10/461394610.db2.gz XSLZCZFUJSSFGS-INIZCTEOSA-N 2 2 343.298 3.491 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000668740627 461410917 /nfs/dbraw/zinc/41/09/17/461410917.db2.gz KOXDOCSMKPCEII-IBGZPJMESA-N 2 2 344.499 3.039 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)C1 ZINC000668740627 461410923 /nfs/dbraw/zinc/41/09/23/461410923.db2.gz KOXDOCSMKPCEII-IBGZPJMESA-N 2 2 344.499 3.039 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc2n(n1)CCC2 ZINC000666094371 461452590 /nfs/dbraw/zinc/45/25/90/461452590.db2.gz ZZXNQRPPNGGBQA-BEFAXECRSA-N 2 2 335.455 3.197 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638496200 461456554 /nfs/dbraw/zinc/45/65/54/461456554.db2.gz QBFSECSGXSGCQJ-RXVVDRJESA-N 2 2 338.499 3.495 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638496200 461456562 /nfs/dbraw/zinc/45/65/62/461456562.db2.gz QBFSECSGXSGCQJ-RXVVDRJESA-N 2 2 338.499 3.495 20 0 EGADLP CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060679 461481621 /nfs/dbraw/zinc/48/16/21/461481621.db2.gz MQCZIGVWMUTFCU-KRWDZBQOSA-N 2 2 339.911 3.138 20 0 EGADLP Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077070 461488747 /nfs/dbraw/zinc/48/87/47/461488747.db2.gz NQDCQTUFLZCBBF-MRXNPFEDSA-N 2 2 341.455 3.313 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848528 461494708 /nfs/dbraw/zinc/49/47/08/461494708.db2.gz HHKDBDUBSVTJRP-KFKAGJAMSA-N 2 2 329.488 3.056 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848528 461494712 /nfs/dbraw/zinc/49/47/12/461494712.db2.gz HHKDBDUBSVTJRP-KFKAGJAMSA-N 2 2 329.488 3.056 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848973 461496572 /nfs/dbraw/zinc/49/65/72/461496572.db2.gz MZIIRSGKZZKOHF-XPGWFJOJSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848973 461496577 /nfs/dbraw/zinc/49/65/77/461496577.db2.gz MZIIRSGKZZKOHF-XPGWFJOJSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849904 461498332 /nfs/dbraw/zinc/49/83/32/461498332.db2.gz QQZWCBXRQRWWRO-JLSDUUJJSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849904 461498341 /nfs/dbraw/zinc/49/83/41/461498341.db2.gz QQZWCBXRQRWWRO-JLSDUUJJSA-N 2 2 333.451 3.149 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000631068990 461521780 /nfs/dbraw/zinc/52/17/80/461521780.db2.gz KERRPAPCUCSZGD-INIZCTEOSA-N 2 2 325.456 3.255 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000631068990 461521787 /nfs/dbraw/zinc/52/17/87/461521787.db2.gz KERRPAPCUCSZGD-INIZCTEOSA-N 2 2 325.456 3.255 20 0 EGADLP FC(F)(F)c1cccnc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345003 461574897 /nfs/dbraw/zinc/57/48/97/461574897.db2.gz DTSYNEUZVZDUIV-AWEZNQCLSA-N 2 2 327.394 3.312 20 0 EGADLP FC(F)(F)c1cccnc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345003 461574902 /nfs/dbraw/zinc/57/49/02/461574902.db2.gz DTSYNEUZVZDUIV-AWEZNQCLSA-N 2 2 327.394 3.312 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cnc([C@H]4CCCO4)s3)cn21 ZINC000647262532 461596636 /nfs/dbraw/zinc/59/66/36/461596636.db2.gz CBQAPKNIWSGZGL-MRXNPFEDSA-N 2 2 342.468 3.283 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cn21 ZINC000647262718 461598424 /nfs/dbraw/zinc/59/84/24/461598424.db2.gz LWPWTTMHKXQWCJ-WIYYLYMNSA-N 2 2 348.494 3.438 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cn21 ZINC000647262718 461598435 /nfs/dbraw/zinc/59/84/35/461598435.db2.gz LWPWTTMHKXQWCJ-WIYYLYMNSA-N 2 2 348.494 3.438 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000660127250 461599414 /nfs/dbraw/zinc/59/94/14/461599414.db2.gz KIYZSUIUUDQGDE-GOSISDBHSA-N 2 2 335.455 3.416 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000660127250 461599421 /nfs/dbraw/zinc/59/94/21/461599421.db2.gz KIYZSUIUUDQGDE-GOSISDBHSA-N 2 2 335.455 3.416 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068560 461601102 /nfs/dbraw/zinc/60/11/02/461601102.db2.gz IGLFWZLYUPCQMI-RXVVDRJESA-N 2 2 349.478 3.366 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068560 461601109 /nfs/dbraw/zinc/60/11/09/461601109.db2.gz IGLFWZLYUPCQMI-RXVVDRJESA-N 2 2 349.478 3.366 20 0 EGADLP c1ccc(C(OCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2)cc1 ZINC000643069870 461603195 /nfs/dbraw/zinc/60/31/95/461603195.db2.gz YSELERLIZILBEZ-GHTZIAJQSA-N 2 2 336.479 3.476 20 0 EGADLP c1ccc(C(OCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c2ccccc2)cc1 ZINC000643069870 461603207 /nfs/dbraw/zinc/60/32/07/461603207.db2.gz YSELERLIZILBEZ-GHTZIAJQSA-N 2 2 336.479 3.476 20 0 EGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826811 461604158 /nfs/dbraw/zinc/60/41/58/461604158.db2.gz VFKYAEZSJKTSGI-OLMNPRSZSA-N 2 2 340.870 3.487 20 0 EGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826811 461604163 /nfs/dbraw/zinc/60/41/63/461604163.db2.gz VFKYAEZSJKTSGI-OLMNPRSZSA-N 2 2 340.870 3.487 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000631170493 461610214 /nfs/dbraw/zinc/61/02/14/461610214.db2.gz QBMOCPNYVAZUEN-KRWDZBQOSA-N 2 2 331.504 3.126 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000631170493 461610225 /nfs/dbraw/zinc/61/02/25/461610225.db2.gz QBMOCPNYVAZUEN-KRWDZBQOSA-N 2 2 331.504 3.126 20 0 EGADLP Brc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000631177903 461615309 /nfs/dbraw/zinc/61/53/09/461615309.db2.gz BNYBJVCBMDGKQL-CQSZACIVSA-N 2 2 338.293 3.056 20 0 EGADLP Brc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631177903 461615315 /nfs/dbraw/zinc/61/53/15/461615315.db2.gz BNYBJVCBMDGKQL-CQSZACIVSA-N 2 2 338.293 3.056 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000653297938 461618266 /nfs/dbraw/zinc/61/82/66/461618266.db2.gz JWXJTBNFFWHUDB-DOTOQJQBSA-N 2 2 325.456 3.004 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)c1cccc2ccccc21 ZINC000653297938 461618272 /nfs/dbraw/zinc/61/82/72/461618272.db2.gz JWXJTBNFFWHUDB-DOTOQJQBSA-N 2 2 325.456 3.004 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000638929833 461651700 /nfs/dbraw/zinc/65/17/00/461651700.db2.gz CSITZMTVTFATKN-HOCLYGCPSA-N 2 2 340.471 3.032 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000660244441 461661158 /nfs/dbraw/zinc/66/11/58/461661158.db2.gz HSNPPAPROWZFQT-KDURUIRLSA-N 2 2 332.536 3.353 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000660244441 461661166 /nfs/dbraw/zinc/66/11/66/461661166.db2.gz HSNPPAPROWZFQT-KDURUIRLSA-N 2 2 332.536 3.353 20 0 EGADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663473765 461662523 /nfs/dbraw/zinc/66/25/23/461662523.db2.gz YYGJVNOVDRWKGC-ZDUSSCGKSA-N 2 2 341.297 3.388 20 0 EGADLP Cc1nc(NC[C@@H]2CCC[N@H+](C(C)C)C2)c(Br)c(C)[nH+]1 ZINC000663473765 461662531 /nfs/dbraw/zinc/66/25/31/461662531.db2.gz YYGJVNOVDRWKGC-ZDUSSCGKSA-N 2 2 341.297 3.388 20 0 EGADLP Cc1ncc([C@@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075084 461710088 /nfs/dbraw/zinc/71/00/88/461710088.db2.gz DHXQCYSNFPMICT-GDBMZVCRSA-N 2 2 325.460 3.177 20 0 EGADLP Cc1ncc([C@@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075084 461710090 /nfs/dbraw/zinc/71/00/90/461710090.db2.gz DHXQCYSNFPMICT-GDBMZVCRSA-N 2 2 325.460 3.177 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC2(CO)CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643466199 461736707 /nfs/dbraw/zinc/73/67/07/461736707.db2.gz CVYPLBKFQUNJBY-RTBURBONSA-N 2 2 332.488 3.021 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000643506662 461749200 /nfs/dbraw/zinc/74/92/00/461749200.db2.gz DROGSUIJZDCNHF-YOEHRIQHSA-N 2 2 336.451 3.176 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000643522381 461751622 /nfs/dbraw/zinc/75/16/22/461751622.db2.gz MJBPWPYDOWOPQQ-DOMZBBRYSA-N 2 2 333.867 3.022 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000643537954 461759388 /nfs/dbraw/zinc/75/93/88/461759388.db2.gz VKIITDYRDOXWMB-KKUMJFAQSA-N 2 2 331.460 3.477 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547561 461759834 /nfs/dbraw/zinc/75/98/34/461759834.db2.gz HAXXKDIGYOXYJT-IAGOWNOFSA-N 2 2 344.890 3.427 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153185 461765916 /nfs/dbraw/zinc/76/59/16/461765916.db2.gz FTKWFPUUBZLLGN-WMZOPIPTSA-N 2 2 339.487 3.284 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153185 461765924 /nfs/dbraw/zinc/76/59/24/461765924.db2.gz FTKWFPUUBZLLGN-WMZOPIPTSA-N 2 2 339.487 3.284 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1C ZINC000669699139 461771899 /nfs/dbraw/zinc/77/18/99/461771899.db2.gz RIAAGOPNGFMYPQ-IEBWSBKVSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000669699139 461771901 /nfs/dbraw/zinc/77/19/01/461771901.db2.gz RIAAGOPNGFMYPQ-IEBWSBKVSA-N 2 2 326.488 3.291 20 0 EGADLP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666770701 461795128 /nfs/dbraw/zinc/79/51/28/461795128.db2.gz RTMHQGLQZXVOIC-HNNXBMFYSA-N 2 2 338.377 3.327 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000639231599 461816761 /nfs/dbraw/zinc/81/67/61/461816761.db2.gz QBLJBYNENSTLSI-IFXJQAMLSA-N 2 2 347.528 3.093 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883435 461825896 /nfs/dbraw/zinc/82/58/96/461825896.db2.gz QCVBISLMWASRSV-HJWJTTGWSA-N 2 2 344.421 3.359 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883435 461825902 /nfs/dbraw/zinc/82/59/02/461825902.db2.gz QCVBISLMWASRSV-HJWJTTGWSA-N 2 2 344.421 3.359 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540518 461840646 /nfs/dbraw/zinc/84/06/46/461840646.db2.gz RPQVCOOWAXVFEO-OAQYLSRUSA-N 2 2 336.483 3.191 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540518 461840650 /nfs/dbraw/zinc/84/06/50/461840650.db2.gz RPQVCOOWAXVFEO-OAQYLSRUSA-N 2 2 336.483 3.191 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540518 461840656 /nfs/dbraw/zinc/84/06/56/461840656.db2.gz RPQVCOOWAXVFEO-OAQYLSRUSA-N 2 2 336.483 3.191 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540518 461840663 /nfs/dbraw/zinc/84/06/63/461840663.db2.gz RPQVCOOWAXVFEO-OAQYLSRUSA-N 2 2 336.483 3.191 20 0 EGADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000653778197 461852075 /nfs/dbraw/zinc/85/20/75/461852075.db2.gz LCTYZINGRCZJKC-QRVBRYPASA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000653778197 461852084 /nfs/dbraw/zinc/85/20/84/461852084.db2.gz LCTYZINGRCZJKC-QRVBRYPASA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000653778197 461852087 /nfs/dbraw/zinc/85/20/87/461852087.db2.gz LCTYZINGRCZJKC-QRVBRYPASA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000653778197 461852095 /nfs/dbraw/zinc/85/20/95/461852095.db2.gz LCTYZINGRCZJKC-QRVBRYPASA-N 2 2 340.515 3.336 20 0 EGADLP Cc1nc(N2CCC([NH2+]Cc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000663959724 461888742 /nfs/dbraw/zinc/88/87/42/461888742.db2.gz PLLAMFPCHZPYOG-UHFFFAOYSA-N 2 2 336.483 3.422 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000647937215 461894432 /nfs/dbraw/zinc/89/44/32/461894432.db2.gz SPHCVNVOYLAMJF-XPKDYRNWSA-N 2 2 348.878 3.434 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000647937215 461894437 /nfs/dbraw/zinc/89/44/37/461894437.db2.gz SPHCVNVOYLAMJF-XPKDYRNWSA-N 2 2 348.878 3.434 20 0 EGADLP CCC1([NH+](C)C)CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000639377446 461895352 /nfs/dbraw/zinc/89/53/52/461895352.db2.gz CXHJHKZWLBRQPR-KRWDZBQOSA-N 2 2 332.488 3.497 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000656789909 461899868 /nfs/dbraw/zinc/89/98/68/461899868.db2.gz CXNLINLSFXPPNM-IRXDYDNUSA-N 2 2 331.460 3.395 20 0 EGADLP COc1sc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000650709328 461903527 /nfs/dbraw/zinc/90/35/27/461903527.db2.gz RYECSQGIRZSZHK-HZMBPMFUSA-N 2 2 345.306 3.080 20 0 EGADLP COc1sc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1Br ZINC000650709328 461903534 /nfs/dbraw/zinc/90/35/34/461903534.db2.gz RYECSQGIRZSZHK-HZMBPMFUSA-N 2 2 345.306 3.080 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)[C@H]1CC[NH3+] ZINC000650711018 461905172 /nfs/dbraw/zinc/90/51/72/461905172.db2.gz GLODCMNLWYCQDK-ABAIWWIYSA-N 2 2 327.266 3.104 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)[C@H]1CC[NH3+] ZINC000650711018 461905177 /nfs/dbraw/zinc/90/51/77/461905177.db2.gz GLODCMNLWYCQDK-ABAIWWIYSA-N 2 2 327.266 3.104 20 0 EGADLP Cc1cc(C)c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)[nH+]1 ZINC000647975407 461917190 /nfs/dbraw/zinc/91/71/90/461917190.db2.gz OFYNTXNTTQBGDB-UHFFFAOYSA-N 2 2 339.443 3.324 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000660695916 461927482 /nfs/dbraw/zinc/92/74/82/461927482.db2.gz DBUJLSCEFQJHCZ-UHFFFAOYSA-N 2 2 326.431 3.197 20 0 EGADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000667099671 461949200 /nfs/dbraw/zinc/94/92/00/461949200.db2.gz OXHLRGAXWYUXQW-ZFWWWQNUSA-N 2 2 344.390 3.038 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000644423044 461952683 /nfs/dbraw/zinc/95/26/83/461952683.db2.gz MMWFYOZMPFZAFN-SIXLDLHFSA-N 2 2 342.405 3.085 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000644423044 461952687 /nfs/dbraw/zinc/95/26/87/461952687.db2.gz MMWFYOZMPFZAFN-SIXLDLHFSA-N 2 2 342.405 3.085 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000644427961 461955527 /nfs/dbraw/zinc/95/55/27/461955527.db2.gz WCQMWHVBRMJESE-SIXLDLHFSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000644427961 461955532 /nfs/dbraw/zinc/95/55/32/461955532.db2.gz WCQMWHVBRMJESE-SIXLDLHFSA-N 2 2 342.405 3.257 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518344 461967349 /nfs/dbraw/zinc/96/73/49/461967349.db2.gz FETQPVQPZKWONB-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518344 461967357 /nfs/dbraw/zinc/96/73/57/461967357.db2.gz FETQPVQPZKWONB-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)co2)c1 ZINC000639518344 461967363 /nfs/dbraw/zinc/96/73/63/461967363.db2.gz FETQPVQPZKWONB-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)co2)c1 ZINC000639518344 461967369 /nfs/dbraw/zinc/96/73/69/461967369.db2.gz FETQPVQPZKWONB-LPHOPBHVSA-N 2 2 341.455 3.266 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(F)(F)F)s1)CCO2 ZINC000648072144 461969211 /nfs/dbraw/zinc/96/92/11/461969211.db2.gz OOHKGUDWUNYVLO-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(F)(F)F)s1)CCO2 ZINC000648072144 461969218 /nfs/dbraw/zinc/96/92/18/461969218.db2.gz OOHKGUDWUNYVLO-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP O=C(CC[NH2+]CCCNc1cccc[nH+]1)Nc1cccc(Cl)c1 ZINC000644570747 461991535 /nfs/dbraw/zinc/99/15/35/461991535.db2.gz IWCJKOFBOCAMSV-UHFFFAOYSA-N 2 2 332.835 3.155 20 0 EGADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1F ZINC000639583716 462002931 /nfs/dbraw/zinc/00/29/31/462002931.db2.gz ONGVAZDPTBRZKF-UHFFFAOYSA-N 2 2 329.419 3.397 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000644593466 462003343 /nfs/dbraw/zinc/00/33/43/462003343.db2.gz ZPNIRIOEVRVKSR-WMZOPIPTSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000644593466 462003345 /nfs/dbraw/zinc/00/33/45/462003345.db2.gz ZPNIRIOEVRVKSR-WMZOPIPTSA-N 2 2 344.503 3.128 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657311650 462036580 /nfs/dbraw/zinc/03/65/80/462036580.db2.gz QKEFMDSQNBJHRL-KRWDZBQOSA-N 3 2 338.499 3.351 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657311650 462036587 /nfs/dbraw/zinc/03/65/87/462036587.db2.gz QKEFMDSQNBJHRL-KRWDZBQOSA-N 3 2 338.499 3.351 20 0 EGADLP c1c2ccncc2sc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000657319097 462042088 /nfs/dbraw/zinc/04/20/88/462042088.db2.gz RTYAQBNJAOSRNN-UHFFFAOYSA-N 2 2 338.480 3.446 20 0 EGADLP Fc1ccc(Br)cc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657331295 462051573 /nfs/dbraw/zinc/05/15/73/462051573.db2.gz XBQCLEGVPFNTJW-UHFFFAOYSA-N 2 2 338.224 3.063 20 0 EGADLP COCc1csc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000657363082 462072591 /nfs/dbraw/zinc/07/25/91/462072591.db2.gz FZLBVHJZEWMCNX-HNAYVOBHSA-N 2 2 345.512 3.290 20 0 EGADLP COCc1csc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000657363082 462072599 /nfs/dbraw/zinc/07/25/99/462072599.db2.gz FZLBVHJZEWMCNX-HNAYVOBHSA-N 2 2 345.512 3.290 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657412189 462106848 /nfs/dbraw/zinc/10/68/48/462106848.db2.gz DOVUKGPXNZQSQY-OAHLLOKOSA-N 2 2 339.487 3.008 20 0 EGADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c(OC)c1 ZINC000667488556 462107911 /nfs/dbraw/zinc/10/79/11/462107911.db2.gz JTYQKEDFWOWQFP-KRWDZBQOSA-N 2 2 327.428 3.184 20 0 EGADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c(OC)c1 ZINC000667488556 462107912 /nfs/dbraw/zinc/10/79/12/462107912.db2.gz JTYQKEDFWOWQFP-KRWDZBQOSA-N 2 2 327.428 3.184 20 0 EGADLP CC(C)(C)c1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[nH]1 ZINC000644989819 462151576 /nfs/dbraw/zinc/15/15/76/462151576.db2.gz LQAAAJZHRNKZBQ-UHFFFAOYSA-N 2 2 333.524 3.190 20 0 EGADLP COc1ccc(C[C@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667621020 462177038 /nfs/dbraw/zinc/17/70/38/462177038.db2.gz XKUNLDHBGVMVAQ-QGZVFWFLSA-N 2 2 325.456 3.293 20 0 EGADLP Clc1cnc2oc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000648571148 462183157 /nfs/dbraw/zinc/18/31/57/462183157.db2.gz PBYDXBSWHVMAPU-CQSZACIVSA-N 2 2 349.862 3.025 20 0 EGADLP Clc1cnc2oc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000648571148 462183159 /nfs/dbraw/zinc/18/31/59/462183159.db2.gz PBYDXBSWHVMAPU-CQSZACIVSA-N 2 2 349.862 3.025 20 0 EGADLP c1[nH+]c2n(c1C[N@H+]1CC[C@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687853 462214451 /nfs/dbraw/zinc/21/44/51/462214451.db2.gz ZFXVOUUTGLQMTH-IBGZPJMESA-N 2 2 325.456 3.053 20 0 EGADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687853 462214456 /nfs/dbraw/zinc/21/44/56/462214456.db2.gz ZFXVOUUTGLQMTH-IBGZPJMESA-N 2 2 325.456 3.053 20 0 EGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC2 ZINC000657693853 462233144 /nfs/dbraw/zinc/23/31/44/462233144.db2.gz PJWBEWLQWUBZKF-INIZCTEOSA-N 2 2 328.378 3.386 20 0 EGADLP O[C@H](C[NH2+]Cc1ccccc1C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000645210524 462236119 /nfs/dbraw/zinc/23/61/19/462236119.db2.gz MKEXALWTMKEDEW-OAQYLSRUSA-N 2 2 336.479 3.073 20 0 EGADLP O[C@H](C[NH2+]Cc1ccccc1C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000645210524 462236125 /nfs/dbraw/zinc/23/61/25/462236125.db2.gz MKEXALWTMKEDEW-OAQYLSRUSA-N 2 2 336.479 3.073 20 0 EGADLP Cc1cc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)oc2cc1C ZINC000657750348 462250870 /nfs/dbraw/zinc/25/08/70/462250870.db2.gz HXBCNPSSOMKGCZ-GOSISDBHSA-N 2 2 328.456 3.393 20 0 EGADLP FC(F)(F)c1cscc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750828 462251907 /nfs/dbraw/zinc/25/19/07/462251907.db2.gz DJAYCMCMNPUXJH-ZDUSSCGKSA-N 2 2 334.407 3.110 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000651712173 462312078 /nfs/dbraw/zinc/31/20/78/462312078.db2.gz WSKKMJJWBKBCDF-QGZVFWFLSA-N 2 2 326.456 3.299 20 0 EGADLP CCOC1CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CC1 ZINC000657949678 462327110 /nfs/dbraw/zinc/32/71/10/462327110.db2.gz KLWVTRRQJWFLDW-UHFFFAOYSA-N 2 2 346.519 3.372 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000654707181 462343383 /nfs/dbraw/zinc/34/33/83/462343383.db2.gz WBVWUDKKIGYBQT-IAGOWNOFSA-N 2 2 346.862 3.003 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)nnn1-c1cccc(Cl)c1 ZINC000665249722 462369456 /nfs/dbraw/zinc/36/94/56/462369456.db2.gz XSZIHNJJFLJHEM-GFCCVEGCSA-N 2 2 333.867 3.151 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299670 462391678 /nfs/dbraw/zinc/39/16/78/462391678.db2.gz RBEKVVXIJUTFAH-GIVPXCGWSA-N 3 2 327.516 3.191 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299670 462391680 /nfs/dbraw/zinc/39/16/80/462391680.db2.gz RBEKVVXIJUTFAH-GIVPXCGWSA-N 3 2 327.516 3.191 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000645805536 462432464 /nfs/dbraw/zinc/43/24/64/462432464.db2.gz UHRMHTNCSUGESG-KRWDZBQOSA-N 2 2 338.373 3.449 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230335 462436930 /nfs/dbraw/zinc/43/69/30/462436930.db2.gz YHPLNSWNHNZMRT-ROUUACIJSA-N 2 2 343.515 3.425 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230335 462436934 /nfs/dbraw/zinc/43/69/34/462436934.db2.gz YHPLNSWNHNZMRT-ROUUACIJSA-N 2 2 343.515 3.425 20 0 EGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156519 462454901 /nfs/dbraw/zinc/45/49/01/462454901.db2.gz FUMFGFGIJZHTLH-GDBMZVCRSA-N 2 2 336.476 3.095 20 0 EGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156519 462454905 /nfs/dbraw/zinc/45/49/05/462454905.db2.gz FUMFGFGIJZHTLH-GDBMZVCRSA-N 2 2 336.476 3.095 20 0 EGADLP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293487 462459948 /nfs/dbraw/zinc/45/99/48/462459948.db2.gz ATAHWNJKUTZYEZ-HTAPYJJXSA-N 2 2 342.527 3.339 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000658293450 462460487 /nfs/dbraw/zinc/46/04/87/462460487.db2.gz HDWDNKPUZPULEF-XJKSGUPXSA-N 2 2 338.879 3.253 20 0 EGADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000649267893 462461932 /nfs/dbraw/zinc/46/19/32/462461932.db2.gz GMRVRDJPRUUPEQ-QZTJIDSGSA-N 2 2 349.837 3.063 20 0 EGADLP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295724 462462027 /nfs/dbraw/zinc/46/20/27/462462027.db2.gz VIWFVXHDTWBFPY-RTWAWAEBSA-N 2 2 330.516 3.487 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)c[nH+]1 ZINC000649287317 462466618 /nfs/dbraw/zinc/46/66/18/462466618.db2.gz NPWNVTLCGBLLCZ-FQEVSTJZSA-N 2 2 335.455 3.159 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)c[nH+]1 ZINC000649287317 462466622 /nfs/dbraw/zinc/46/66/22/462466622.db2.gz NPWNVTLCGBLLCZ-FQEVSTJZSA-N 2 2 335.455 3.159 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649342322 462482122 /nfs/dbraw/zinc/48/21/22/462482122.db2.gz ZTXRRGWJYYBCNA-CQSZACIVSA-N 2 2 337.895 3.063 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000665520623 462482276 /nfs/dbraw/zinc/48/22/76/462482276.db2.gz OLALBGGMCCHHKP-YVSFHVDLSA-N 2 2 332.492 3.218 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000665520623 462482279 /nfs/dbraw/zinc/48/22/79/462482279.db2.gz OLALBGGMCCHHKP-YVSFHVDLSA-N 2 2 332.492 3.218 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1F ZINC000649408974 462502366 /nfs/dbraw/zinc/50/23/66/462502366.db2.gz PKECRWRHXCWQKH-UHFFFAOYSA-N 2 2 333.382 3.336 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)co2)cc1F ZINC000649408974 462502370 /nfs/dbraw/zinc/50/23/70/462502370.db2.gz PKECRWRHXCWQKH-UHFFFAOYSA-N 2 2 333.382 3.336 20 0 EGADLP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000662049986 462512599 /nfs/dbraw/zinc/51/25/99/462512599.db2.gz DTQPMHPUWCOJIW-OAHLLOKOSA-N 2 2 331.287 3.492 20 0 EGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2n1 ZINC000187164976 534466340 /nfs/dbraw/zinc/46/63/40/534466340.db2.gz HPQYEDGCXPUZBN-IBGZPJMESA-N 2 2 339.483 3.087 20 0 EGADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2n1 ZINC000187164976 534466347 /nfs/dbraw/zinc/46/63/47/534466347.db2.gz HPQYEDGCXPUZBN-IBGZPJMESA-N 2 2 339.483 3.087 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000181971892 527028993 /nfs/dbraw/zinc/02/89/93/527028993.db2.gz QJHHJCPVFOEYMX-AWEZNQCLSA-N 2 2 349.438 3.385 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000159008801 528133444 /nfs/dbraw/zinc/13/34/44/528133444.db2.gz XJEPXUXMDMXBNE-XHSDSOJGSA-N 2 2 347.463 3.083 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000159008801 528133451 /nfs/dbraw/zinc/13/34/51/528133451.db2.gz XJEPXUXMDMXBNE-XHSDSOJGSA-N 2 2 347.463 3.083 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000174218213 528176955 /nfs/dbraw/zinc/17/69/55/528176955.db2.gz ZKJHVNMRSFQMJT-YOEHRIQHSA-N 2 2 344.421 3.403 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000174218213 528176959 /nfs/dbraw/zinc/17/69/59/528176959.db2.gz ZKJHVNMRSFQMJT-YOEHRIQHSA-N 2 2 344.421 3.403 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174223528 528178218 /nfs/dbraw/zinc/17/82/18/528178218.db2.gz KLYZYQAFUXJWAW-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174223528 528178223 /nfs/dbraw/zinc/17/82/23/528178223.db2.gz KLYZYQAFUXJWAW-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000121935660 546730568 /nfs/dbraw/zinc/73/05/68/546730568.db2.gz SXPKOPWGTQOJRN-UXHICEINSA-N 2 2 341.499 3.170 20 0 EGADLP Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000121935660 546730574 /nfs/dbraw/zinc/73/05/74/546730574.db2.gz SXPKOPWGTQOJRN-UXHICEINSA-N 2 2 341.499 3.170 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000123134187 546738950 /nfs/dbraw/zinc/73/89/50/546738950.db2.gz KFVUCWJIVXSTAK-DYESRHJHSA-N 3 2 329.532 3.143 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000123134187 546738953 /nfs/dbraw/zinc/73/89/53/546738953.db2.gz KFVUCWJIVXSTAK-DYESRHJHSA-N 3 2 329.532 3.143 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000163641754 546973384 /nfs/dbraw/zinc/97/33/84/546973384.db2.gz XOYACVPXYOZDEQ-ZDUSSCGKSA-N 2 2 330.394 3.467 20 0 EGADLP [NH3+]Cc1ccc(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)o1 ZINC000165829083 546985685 /nfs/dbraw/zinc/98/56/85/546985685.db2.gz OACXOZNYGLGIEF-UHFFFAOYSA-N 2 2 336.395 3.190 20 0 EGADLP CCc1nn(C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859384 547270053 /nfs/dbraw/zinc/27/00/53/547270053.db2.gz OJZBZSISVPIMJU-FXAWDEMLSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859384 547270059 /nfs/dbraw/zinc/27/00/59/547270059.db2.gz OJZBZSISVPIMJU-FXAWDEMLSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859384 547270063 /nfs/dbraw/zinc/27/00/63/547270063.db2.gz OJZBZSISVPIMJU-FXAWDEMLSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859384 547270069 /nfs/dbraw/zinc/27/00/69/547270069.db2.gz OJZBZSISVPIMJU-FXAWDEMLSA-N 2 2 340.515 3.467 20 0 EGADLP Cc1cc(N[C@H]2CC[C@H](Nc3cc(C)[nH+]c(C)n3)CC2)nc(C)[nH+]1 ZINC000249114922 547309094 /nfs/dbraw/zinc/30/90/94/547309094.db2.gz NRFIXLYCZHQGGV-WKILWMFISA-N 2 2 326.448 3.335 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414961897 547862552 /nfs/dbraw/zinc/86/25/52/547862552.db2.gz WGSKRHLLSOKDIS-NHYWBVRUSA-N 2 2 334.261 3.227 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cscc2Br)C1 ZINC000520459629 548023351 /nfs/dbraw/zinc/02/33/51/548023351.db2.gz AESXPQLTAQLMFP-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459629 548023338 /nfs/dbraw/zinc/02/33/38/548023338.db2.gz AESXPQLTAQLMFP-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459629 548023345 /nfs/dbraw/zinc/02/33/45/548023345.db2.gz AESXPQLTAQLMFP-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C(C)(C)C ZINC000670266479 548193852 /nfs/dbraw/zinc/19/38/52/548193852.db2.gz GPDVPLCJASKLOC-QGZVFWFLSA-N 2 2 334.504 3.169 20 0 EGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987668 548244024 /nfs/dbraw/zinc/24/40/24/548244024.db2.gz ZSUVKZDHFMNLAM-HZPDHXFCSA-N 2 2 329.444 3.076 20 0 EGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987668 548244031 /nfs/dbraw/zinc/24/40/31/548244031.db2.gz ZSUVKZDHFMNLAM-HZPDHXFCSA-N 2 2 329.444 3.076 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000671742487 548350382 /nfs/dbraw/zinc/35/03/82/548350382.db2.gz XYSVYUBAGOVWSE-UYAOXDASSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000671742487 548350386 /nfs/dbraw/zinc/35/03/86/548350386.db2.gz XYSVYUBAGOVWSE-UYAOXDASSA-N 2 2 325.456 3.058 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000674304062 548721310 /nfs/dbraw/zinc/72/13/10/548721310.db2.gz PLSHAGPERCSSKA-QGZVFWFLSA-N 2 2 337.427 3.002 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000674304062 548721315 /nfs/dbraw/zinc/72/13/15/548721315.db2.gz PLSHAGPERCSSKA-QGZVFWFLSA-N 2 2 337.427 3.002 20 0 EGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675735556 548969924 /nfs/dbraw/zinc/96/99/24/548969924.db2.gz NQLYEUWKVPQGRE-GQIGUUNPSA-N 2 2 332.488 3.162 20 0 EGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675735556 548969926 /nfs/dbraw/zinc/96/99/26/548969926.db2.gz NQLYEUWKVPQGRE-GQIGUUNPSA-N 2 2 332.488 3.162 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC000675881705 548997024 /nfs/dbraw/zinc/99/70/24/548997024.db2.gz MRZOFEXLKWNTKD-NVXWUHKLSA-N 2 2 336.863 3.007 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056909 549200552 /nfs/dbraw/zinc/20/05/52/549200552.db2.gz MDHQJRUFNYMQRX-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056909 549200554 /nfs/dbraw/zinc/20/05/54/549200554.db2.gz MDHQJRUFNYMQRX-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056909 549200556 /nfs/dbraw/zinc/20/05/56/549200556.db2.gz MDHQJRUFNYMQRX-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056909 549200558 /nfs/dbraw/zinc/20/05/58/549200558.db2.gz MDHQJRUFNYMQRX-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000678234466 549435980 /nfs/dbraw/zinc/43/59/80/549435980.db2.gz FWSZMYGJNNFKKQ-PBHICJAKSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000678234466 549435984 /nfs/dbraw/zinc/43/59/84/549435984.db2.gz FWSZMYGJNNFKKQ-PBHICJAKSA-N 2 2 327.428 3.052 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000678293651 549463059 /nfs/dbraw/zinc/46/30/59/549463059.db2.gz FVNPEYXEHUONFG-SFHVURJKSA-N 2 2 349.482 3.470 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000678293651 549463061 /nfs/dbraw/zinc/46/30/61/549463061.db2.gz FVNPEYXEHUONFG-SFHVURJKSA-N 2 2 349.482 3.470 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000678586538 549525631 /nfs/dbraw/zinc/52/56/31/549525631.db2.gz IXDYPKDVHIRSKP-DZGCQCFKSA-N 2 2 344.484 3.130 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC(C)(C)c3ccccc3)CC2)c1 ZINC000678825663 549570887 /nfs/dbraw/zinc/57/08/87/549570887.db2.gz RANYMVBBZVMSHN-UHFFFAOYSA-N 2 2 325.456 3.190 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)C3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000678999958 549613300 /nfs/dbraw/zinc/61/33/00/549613300.db2.gz HAGQFQMSGLMWOR-SFHVURJKSA-N 3 2 344.547 3.279 20 0 EGADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)n1 ZINC000679078729 549630949 /nfs/dbraw/zinc/63/09/49/549630949.db2.gz DEZHKNUDNBVHJG-WMZOPIPTSA-N 2 2 339.487 3.407 20 0 EGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000679342864 549692227 /nfs/dbraw/zinc/69/22/27/549692227.db2.gz YCZQYEPLDXKKNN-OAHLLOKOSA-N 2 2 334.508 3.182 20 0 EGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000679342864 549692231 /nfs/dbraw/zinc/69/22/31/549692231.db2.gz YCZQYEPLDXKKNN-OAHLLOKOSA-N 2 2 334.508 3.182 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679627508 549742789 /nfs/dbraw/zinc/74/27/89/549742789.db2.gz NXBPHFAZZDPIMK-NVXWUHKLSA-N 2 2 344.528 3.209 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679627508 549742790 /nfs/dbraw/zinc/74/27/90/549742790.db2.gz NXBPHFAZZDPIMK-NVXWUHKLSA-N 2 2 344.528 3.209 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679721229 549768013 /nfs/dbraw/zinc/76/80/13/549768013.db2.gz IMDJRYXGBDTQFP-HZPDHXFCSA-N 2 2 326.488 3.316 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679721229 549768015 /nfs/dbraw/zinc/76/80/15/549768015.db2.gz IMDJRYXGBDTQFP-HZPDHXFCSA-N 2 2 326.488 3.316 20 0 EGADLP Oc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000683723972 550255044 /nfs/dbraw/zinc/25/50/44/550255044.db2.gz ZGCIQGBSEKHTFC-INIZCTEOSA-N 2 2 342.405 3.256 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c[nH+]1 ZINC000684357229 550318980 /nfs/dbraw/zinc/31/89/80/550318980.db2.gz DNBSOUUWIBXZDN-UHFFFAOYSA-N 2 2 337.467 3.347 20 0 EGADLP Cc1ccc(CCC[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c[nH+]1 ZINC000684357229 550318982 /nfs/dbraw/zinc/31/89/82/550318982.db2.gz DNBSOUUWIBXZDN-UHFFFAOYSA-N 2 2 337.467 3.347 20 0 EGADLP Cc1noc([C@@H](C)[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000684621180 550349836 /nfs/dbraw/zinc/34/98/36/550349836.db2.gz UQTBOBMCCPWZRA-GFCCVEGCSA-N 2 2 325.416 3.434 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000684863437 550378272 /nfs/dbraw/zinc/37/82/72/550378272.db2.gz JZZBPQUUMNQSRX-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP C[C@H]1[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000685079318 550398067 /nfs/dbraw/zinc/39/80/67/550398067.db2.gz FIMDXGCPAVWPOC-YJBOKZPZSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@H]1[C@@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000685079318 550398070 /nfs/dbraw/zinc/39/80/70/550398070.db2.gz FIMDXGCPAVWPOC-YJBOKZPZSA-N 2 2 349.438 3.119 20 0 EGADLP CCc1nn(C)cc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000685467514 550420779 /nfs/dbraw/zinc/42/07/79/550420779.db2.gz UUGCXAYQIHZRTQ-UHFFFAOYSA-N 2 2 326.488 3.079 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000685467514 550420781 /nfs/dbraw/zinc/42/07/81/550420781.db2.gz UUGCXAYQIHZRTQ-UHFFFAOYSA-N 2 2 326.488 3.079 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000685875363 550450838 /nfs/dbraw/zinc/45/08/38/550450838.db2.gz RGPSMBKRLXBPNX-IRXDYDNUSA-N 2 2 332.492 3.221 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000685875363 550450841 /nfs/dbraw/zinc/45/08/41/550450841.db2.gz RGPSMBKRLXBPNX-IRXDYDNUSA-N 2 2 332.492 3.221 20 0 EGADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000727931476 574704862 /nfs/dbraw/zinc/70/48/62/574704862.db2.gz LRNHWBXFDDVZNY-QRQLOZEOSA-N 2 2 338.536 3.264 20 0 EGADLP Fc1cc(CNc2nc(N3CCCC3)cc[nH+]2)ccc1-n1cc[nH+]c1 ZINC000733188089 575318419 /nfs/dbraw/zinc/31/84/19/575318419.db2.gz HHXBFMJVDRCFLO-UHFFFAOYSA-N 2 2 338.390 3.014 20 0 EGADLP CCCCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733794915 575391945 /nfs/dbraw/zinc/39/19/45/575391945.db2.gz HWGZQDXWJFLNIY-OALUTQOASA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000733794915 575391948 /nfs/dbraw/zinc/39/19/48/575391948.db2.gz HWGZQDXWJFLNIY-OALUTQOASA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733794915 575391951 /nfs/dbraw/zinc/39/19/51/575391951.db2.gz HWGZQDXWJFLNIY-OALUTQOASA-N 2 2 337.552 3.269 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000733794915 575391954 /nfs/dbraw/zinc/39/19/54/575391954.db2.gz HWGZQDXWJFLNIY-OALUTQOASA-N 2 2 337.552 3.269 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000742385652 576777171 /nfs/dbraw/zinc/77/71/71/576777171.db2.gz NOHANRWRFVJXPO-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000742385652 576777173 /nfs/dbraw/zinc/77/71/73/576777173.db2.gz NOHANRWRFVJXPO-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000743273550 576805062 /nfs/dbraw/zinc/80/50/62/576805062.db2.gz RXACGXMHIPORCD-FCHUYYIVSA-N 2 2 336.479 3.243 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000743273550 576805063 /nfs/dbraw/zinc/80/50/63/576805063.db2.gz RXACGXMHIPORCD-FCHUYYIVSA-N 2 2 336.479 3.243 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000379454968 1297532584 /nfs/dbraw/zinc/53/25/84/1297532584.db2.gz NJCVBONFRWJSAR-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)n1cc[nH+]c1 ZINC000045858630 1291518828 /nfs/dbraw/zinc/51/88/28/1291518828.db2.gz NHFWAGJRFWNEPC-CVEARBPZSA-N 2 2 346.500 3.095 20 0 EGADLP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000045857461 1291518910 /nfs/dbraw/zinc/51/89/10/1291518910.db2.gz XRJYKBDJZUWCJV-WMLDXEAASA-N 2 2 346.862 3.051 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000072726262 1292288927 /nfs/dbraw/zinc/28/89/27/1292288927.db2.gz VREOCHLIVGRKIO-UHFFFAOYSA-N 2 2 336.329 3.073 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn2)cn1 ZINC000075758906 1292409866 /nfs/dbraw/zinc/40/98/66/1292409866.db2.gz UBHZCGYRLVVYRA-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000828984171 1292525050 /nfs/dbraw/zinc/52/50/50/1292525050.db2.gz WKFHYXQDFSOHHB-FUHWJXTLSA-N 2 2 339.524 3.096 20 0 EGADLP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000828984171 1292525054 /nfs/dbraw/zinc/52/50/54/1292525054.db2.gz WKFHYXQDFSOHHB-FUHWJXTLSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1F ZINC000114509053 1293166758 /nfs/dbraw/zinc/16/67/58/1293166758.db2.gz YRTMZYBHTVRVQB-LJQANCHMSA-N 2 2 343.377 3.148 20 0 EGADLP CC[NH+](CC)CC(C)(C)COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000835458919 1293295000 /nfs/dbraw/zinc/29/50/00/1293295000.db2.gz WBYXGAOUGJYUJP-UHFFFAOYSA-N 2 2 343.471 3.456 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCOC1 ZINC000122351760 1293410350 /nfs/dbraw/zinc/41/03/50/1293410350.db2.gz FBLYNFNIDNBVJG-UZLBHIALSA-N 2 2 331.504 3.126 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)cn1 ZINC000123383335 1293442781 /nfs/dbraw/zinc/44/27/81/1293442781.db2.gz CBUZMPARHWSGHU-UHFFFAOYSA-N 2 2 345.406 3.119 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(N)=O)cs2)CC1 ZINC000132790496 1293729185 /nfs/dbraw/zinc/72/91/85/1293729185.db2.gz FOQDECIDYKYMSP-AWEZNQCLSA-N 2 2 343.496 3.162 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccccc3)CC2)cc1 ZINC000153845396 1294030453 /nfs/dbraw/zinc/03/04/53/1294030453.db2.gz MARANNSOHSMLNK-NRFANRHFSA-N 2 2 339.483 3.045 20 0 EGADLP CC(C)N(CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000156249120 1294134484 /nfs/dbraw/zinc/13/44/84/1294134484.db2.gz AHABORYVZNBOFA-UHFFFAOYSA-N 2 2 346.563 3.430 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000160500533 1294269599 /nfs/dbraw/zinc/26/95/99/1294269599.db2.gz AYUVVWDJWZOGIB-INMHGKMJSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000160500533 1294269605 /nfs/dbraw/zinc/26/96/05/1294269605.db2.gz AYUVVWDJWZOGIB-INMHGKMJSA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000182694274 1295067226 /nfs/dbraw/zinc/06/72/26/1295067226.db2.gz GSWOENKCMYNMEK-IAGOWNOFSA-N 2 2 341.540 3.342 20 0 EGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183420281 1295117898 /nfs/dbraw/zinc/11/78/98/1295117898.db2.gz KQFNMPUSHBNPSZ-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183420281 1295117903 /nfs/dbraw/zinc/11/79/03/1295117903.db2.gz KQFNMPUSHBNPSZ-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000190320503 1295582410 /nfs/dbraw/zinc/58/24/10/1295582410.db2.gz FSVMFDLUKPQTSP-FQEVSTJZSA-N 2 2 344.499 3.346 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)[NH+](C)C ZINC000223941530 1296133586 /nfs/dbraw/zinc/13/35/86/1296133586.db2.gz YYHNFZVDCLJFMT-CABCVRRESA-N 2 2 327.513 3.094 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229052325 1296156935 /nfs/dbraw/zinc/15/69/35/1296156935.db2.gz NCOLMZAWDFNEBE-JKSUJKDBSA-N 2 2 327.513 3.001 20 0 EGADLP Cc1csc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000247047731 1296380458 /nfs/dbraw/zinc/38/04/58/1296380458.db2.gz OOTVVNCBYOJZCH-CRAIPNDOSA-N 2 2 344.528 3.279 20 0 EGADLP Cc1csc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000247047731 1296380472 /nfs/dbraw/zinc/38/04/72/1296380472.db2.gz OOTVVNCBYOJZCH-CRAIPNDOSA-N 2 2 344.528 3.279 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872055689 1296704477 /nfs/dbraw/zinc/70/44/77/1296704477.db2.gz KVJKQUMZDNEGNU-MRXNPFEDSA-N 2 2 347.503 3.207 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000304205756 1296904558 /nfs/dbraw/zinc/90/45/58/1296904558.db2.gz BSHAYXKEDPLYID-KUHUBIRLSA-N 2 2 325.387 3.223 20 0 EGADLP CC(C)c1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000305131306 1296983240 /nfs/dbraw/zinc/98/32/40/1296983240.db2.gz JXMOOJNBBZHQCR-IRXDYDNUSA-N 2 2 337.533 3.124 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000309909267 1297078660 /nfs/dbraw/zinc/07/86/60/1297078660.db2.gz VIMIRPBNPNUHAX-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000310641796 1297097452 /nfs/dbraw/zinc/09/74/52/1297097452.db2.gz CDKQUGRWBGGXNG-INIZCTEOSA-N 2 2 344.459 3.265 20 0 EGADLP c1c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc2ccccn12 ZINC000311130840 1297104535 /nfs/dbraw/zinc/10/45/35/1297104535.db2.gz JGSCLGVSAYNUBT-IBGZPJMESA-N 2 2 334.467 3.336 20 0 EGADLP c1c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc2ccccn12 ZINC000311130840 1297104540 /nfs/dbraw/zinc/10/45/40/1297104540.db2.gz JGSCLGVSAYNUBT-IBGZPJMESA-N 2 2 334.467 3.336 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)C[NH+](C)C ZINC000324022794 1297206445 /nfs/dbraw/zinc/20/64/45/1297206445.db2.gz QLMRQTBYJCGYKL-JTQLQIEISA-N 2 2 338.345 3.177 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000873206982 1297351528 /nfs/dbraw/zinc/35/15/28/1297351528.db2.gz HHEZEGDONWHAIQ-KSSFIOAISA-N 2 2 328.481 3.356 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H](c2ccccc2)CO1 ZINC000873206982 1297351539 /nfs/dbraw/zinc/35/15/39/1297351539.db2.gz HHEZEGDONWHAIQ-KSSFIOAISA-N 2 2 328.481 3.356 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@H]3CCCCC34CC[NH2+]CC4)c2)c[nH+]1 ZINC000873232553 1297374561 /nfs/dbraw/zinc/37/45/61/1297374561.db2.gz GQPGRZARIVJDFZ-KRWDZBQOSA-N 3 2 330.501 3.336 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000378957822 1297530740 /nfs/dbraw/zinc/53/07/40/1297530740.db2.gz NODBZZMVEYKUDD-KBPBESRZSA-N 2 2 346.418 3.251 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000378957822 1297530752 /nfs/dbraw/zinc/53/07/52/1297530752.db2.gz NODBZZMVEYKUDD-KBPBESRZSA-N 2 2 346.418 3.251 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000382615664 1297561645 /nfs/dbraw/zinc/56/16/45/1297561645.db2.gz YIBGDBZZOYSHPS-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548711 1297610409 /nfs/dbraw/zinc/61/04/09/1297610409.db2.gz NMGDOFHUBBXSED-IAGOWNOFSA-N 2 2 337.305 3.380 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548711 1297610417 /nfs/dbraw/zinc/61/04/17/1297610417.db2.gz NMGDOFHUBBXSED-IAGOWNOFSA-N 2 2 337.305 3.380 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511973 1297731719 /nfs/dbraw/zinc/73/17/19/1297731719.db2.gz LTSHBNNPMBICRD-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511973 1297731723 /nfs/dbraw/zinc/73/17/23/1297731723.db2.gz LTSHBNNPMBICRD-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401319616 1297739457 /nfs/dbraw/zinc/73/94/57/1297739457.db2.gz IFJAHHZIGDPHJX-SFHVURJKSA-N 2 2 347.503 3.285 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401319616 1297739464 /nfs/dbraw/zinc/73/94/64/1297739464.db2.gz IFJAHHZIGDPHJX-SFHVURJKSA-N 2 2 347.503 3.285 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2n2cncn2)cc1 ZINC000423254244 1297796286 /nfs/dbraw/zinc/79/62/86/1297796286.db2.gz ZQZQGFXZIPJCKD-XCLNPWKQSA-N 2 2 341.503 3.421 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C12CCC2 ZINC000453178152 1297891107 /nfs/dbraw/zinc/89/11/07/1297891107.db2.gz SBYYWTOJRHUPAC-AYOQOUSVSA-N 2 2 329.488 3.154 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000693878784 1298153609 /nfs/dbraw/zinc/15/36/09/1298153609.db2.gz PAKZYYAZIDAUMR-OAGGEKHMSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000693878784 1298153612 /nfs/dbraw/zinc/15/36/12/1298153612.db2.gz PAKZYYAZIDAUMR-OAGGEKHMSA-N 2 2 339.524 3.285 20 0 EGADLP Clc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1Br ZINC000719659385 1298320767 /nfs/dbraw/zinc/32/07/67/1298320767.db2.gz FCPIMWGGEPBUJQ-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP C[NH+](C)C1CC[NH+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000876595326 1298855450 /nfs/dbraw/zinc/85/54/50/1298855450.db2.gz CZFGVIQQWHRRBM-UHFFFAOYSA-N 2 2 347.503 3.237 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CS[C@H](C)C1 ZINC000876828262 1299020682 /nfs/dbraw/zinc/02/06/82/1299020682.db2.gz PFSGFIMMYGQJAR-HUUCEWRRSA-N 2 2 335.517 3.143 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877149604 1299184112 /nfs/dbraw/zinc/18/41/12/1299184112.db2.gz DMAKTRFLHIWJHP-VQHPVUNQSA-N 2 2 339.524 3.094 20 0 EGADLP CC1(C)OCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000877338267 1299253127 /nfs/dbraw/zinc/25/31/27/1299253127.db2.gz AWFDNPGIGUMVQB-LPHOPBHVSA-N 2 2 330.472 3.096 20 0 EGADLP CC1(C)OCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000877338267 1299253130 /nfs/dbraw/zinc/25/31/30/1299253130.db2.gz AWFDNPGIGUMVQB-LPHOPBHVSA-N 2 2 330.472 3.096 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511899 1300045891 /nfs/dbraw/zinc/04/58/91/1300045891.db2.gz IRJWVFVUGITJQO-IEBWSBKVSA-N 2 2 331.504 3.153 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511899 1300045904 /nfs/dbraw/zinc/04/59/04/1300045904.db2.gz IRJWVFVUGITJQO-IEBWSBKVSA-N 2 2 331.504 3.153 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653118 1300127803 /nfs/dbraw/zinc/12/78/03/1300127803.db2.gz YTRIVDVCGOCLLW-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653118 1300127807 /nfs/dbraw/zinc/12/78/07/1300127807.db2.gz YTRIVDVCGOCLLW-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000878653118 1300127813 /nfs/dbraw/zinc/12/78/13/1300127813.db2.gz YTRIVDVCGOCLLW-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000878653118 1300127817 /nfs/dbraw/zinc/12/78/17/1300127817.db2.gz YTRIVDVCGOCLLW-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215561 1300301278 /nfs/dbraw/zinc/30/12/78/1300301278.db2.gz WYSODWVUQLDPKJ-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215561 1300301291 /nfs/dbraw/zinc/30/12/91/1300301291.db2.gz WYSODWVUQLDPKJ-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP CC[C@@H](C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367543 1300328704 /nfs/dbraw/zinc/32/87/04/1300328704.db2.gz SMVXVMXQLHCVHB-APWZRJJASA-N 2 2 343.515 3.098 20 0 EGADLP CC[C@@H](C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367543 1300328714 /nfs/dbraw/zinc/32/87/14/1300328714.db2.gz SMVXVMXQLHCVHB-APWZRJJASA-N 2 2 343.515 3.098 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000879060851 1300346151 /nfs/dbraw/zinc/34/61/51/1300346151.db2.gz HDYWQDHPHYMHFY-KRWDZBQOSA-N 2 2 338.536 3.157 20 0 EGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135180 1300943602 /nfs/dbraw/zinc/94/36/02/1300943602.db2.gz RGFXJPIUCHUDGS-UXHICEINSA-N 2 2 337.467 3.337 20 0 EGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135180 1300943606 /nfs/dbraw/zinc/94/36/06/1300943606.db2.gz RGFXJPIUCHUDGS-UXHICEINSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135180 1300943611 /nfs/dbraw/zinc/94/36/11/1300943611.db2.gz RGFXJPIUCHUDGS-UXHICEINSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135180 1300943616 /nfs/dbraw/zinc/94/36/16/1300943616.db2.gz RGFXJPIUCHUDGS-UXHICEINSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205894 1300982043 /nfs/dbraw/zinc/98/20/43/1300982043.db2.gz VRZHDLMDCANDJS-NQIIRXRSSA-N 2 2 346.515 3.215 20 0 EGADLP C[C@H](CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205894 1300982051 /nfs/dbraw/zinc/98/20/51/1300982051.db2.gz VRZHDLMDCANDJS-NQIIRXRSSA-N 2 2 346.515 3.215 20 0 EGADLP COc1cccc(OCC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880569415 1301165301 /nfs/dbraw/zinc/16/53/01/1301165301.db2.gz KISTZSHCTPMOAR-FQEVSTJZSA-N 2 2 337.423 3.302 20 0 EGADLP c1cn(C[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)c2ccccc2)c[nH+]1 ZINC000880571475 1301165813 /nfs/dbraw/zinc/16/58/13/1301165813.db2.gz QGQIZMQXKBWIKO-HXUWFJFHSA-N 2 2 333.435 3.392 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762761728 1301743758 /nfs/dbraw/zinc/74/37/58/1301743758.db2.gz OFXSGAKOHXTJTO-GARJFASQSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)ncc1F ZINC000762761728 1301743762 /nfs/dbraw/zinc/74/37/62/1301743762.db2.gz OFXSGAKOHXTJTO-GARJFASQSA-N 2 2 330.245 3.117 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000764459438 1302066811 /nfs/dbraw/zinc/06/68/11/1302066811.db2.gz HRRGPWHTRBUZNL-SFHVURJKSA-N 2 2 341.455 3.016 20 0 EGADLP OCC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000766138926 1302399960 /nfs/dbraw/zinc/39/99/60/1302399960.db2.gz ZWUBEJIEFFWJAS-IBGZPJMESA-N 2 2 344.524 3.468 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951952 1303597476 /nfs/dbraw/zinc/59/74/76/1303597476.db2.gz PUHUSYKKPYZJEB-CMPLNLGQSA-N 2 2 330.259 3.004 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951952 1303597480 /nfs/dbraw/zinc/59/74/80/1303597480.db2.gz PUHUSYKKPYZJEB-CMPLNLGQSA-N 2 2 330.259 3.004 20 0 EGADLP O[C@@H](C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)C[NH+]1CCCC1 ZINC000775455764 1303967286 /nfs/dbraw/zinc/96/72/86/1303967286.db2.gz WNVAFUZYLJFODZ-GHTZIAJQSA-N 2 2 342.458 3.156 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014082 1304518323 /nfs/dbraw/zinc/51/83/23/1304518323.db2.gz OIIDDJRNMLAGEN-IXDOHACOSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014082 1304518325 /nfs/dbraw/zinc/51/83/25/1304518325.db2.gz OIIDDJRNMLAGEN-IXDOHACOSA-N 2 2 339.524 3.001 20 0 EGADLP CCc1cc(NC2CC[NH+](Cc3ccncc3)CC2)nc(CC)[nH+]1 ZINC000891899638 1305202696 /nfs/dbraw/zinc/20/26/96/1305202696.db2.gz WMQJFTCCVHOMGW-UHFFFAOYSA-N 2 2 325.460 3.073 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790533153 1306346014 /nfs/dbraw/zinc/34/60/14/1306346014.db2.gz ZNHAHTDHKVVDRE-KRWDZBQOSA-N 2 2 346.906 3.406 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790533153 1306346025 /nfs/dbraw/zinc/34/60/25/1306346025.db2.gz ZNHAHTDHKVVDRE-KRWDZBQOSA-N 2 2 346.906 3.406 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1-n1ccnn1 ZINC000796715613 1310071079 /nfs/dbraw/zinc/07/10/79/1310071079.db2.gz GTSZPEXFUKXZTM-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1)C(C)C ZINC000896921122 1310085801 /nfs/dbraw/zinc/08/58/01/1310085801.db2.gz FYEAYRGIACZGIH-UHFFFAOYSA-N 2 2 328.460 3.187 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1)C(C)C ZINC000896921122 1310085805 /nfs/dbraw/zinc/08/58/05/1310085805.db2.gz FYEAYRGIACZGIH-UHFFFAOYSA-N 2 2 328.460 3.187 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000800490583 1310768173 /nfs/dbraw/zinc/76/81/73/1310768173.db2.gz ICEVTAXAOLBHSS-YLJYHZDGSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000800490583 1310768179 /nfs/dbraw/zinc/76/81/79/1310768179.db2.gz ICEVTAXAOLBHSS-YLJYHZDGSA-N 2 2 326.488 3.291 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000929527863 1328627030 /nfs/dbraw/zinc/62/70/30/1328627030.db2.gz WPLBULKZWNSADI-RBUKOAKNSA-N 2 2 341.455 3.085 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000929527863 1328627034 /nfs/dbraw/zinc/62/70/34/1328627034.db2.gz WPLBULKZWNSADI-RBUKOAKNSA-N 2 2 341.455 3.085 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001019448650 1317249663 /nfs/dbraw/zinc/24/96/63/1317249663.db2.gz HSUQSPGXXMSGAN-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP O=C(CNc1cccc[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000900312121 1317268036 /nfs/dbraw/zinc/26/80/36/1317268036.db2.gz FHOCUTVNOIARTO-UHFFFAOYSA-N 2 2 338.455 3.161 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000806134087 1317462872 /nfs/dbraw/zinc/46/28/72/1317462872.db2.gz GRPCOLZLQMOPMC-ZFWWWQNUSA-N 2 2 325.334 3.072 20 0 EGADLP Cn1cc([C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000902374981 1317570184 /nfs/dbraw/zinc/57/01/84/1317570184.db2.gz SZZVLUDULILDLS-ZWKOTPCHSA-N 2 2 330.451 3.016 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000902438279 1317579080 /nfs/dbraw/zinc/57/90/80/1317579080.db2.gz LYICNSCYTGYVTO-QRQLOZEOSA-N 2 2 337.423 3.445 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000902742279 1317611191 /nfs/dbraw/zinc/61/11/91/1317611191.db2.gz MXUDMBZYFQPBNV-HNNXBMFYSA-N 2 2 341.455 3.208 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001020296328 1317632824 /nfs/dbraw/zinc/63/28/24/1317632824.db2.gz MVPLVPLFAOFKRY-KBRIMQKVSA-N 2 2 334.423 3.175 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c[nH+]1 ZINC000903067221 1317646658 /nfs/dbraw/zinc/64/66/58/1317646658.db2.gz ONKMVLYOLVXLBV-VCSGRIEYSA-N 3 2 336.483 3.179 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c[nH+]1 ZINC000903067221 1317646666 /nfs/dbraw/zinc/64/66/66/1317646666.db2.gz ONKMVLYOLVXLBV-VCSGRIEYSA-N 3 2 336.483 3.179 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(F)c3)C2)c(C)[nH+]1 ZINC001020414628 1317686948 /nfs/dbraw/zinc/68/69/48/1317686948.db2.gz FGUXZKJTVIITHX-IYARVYRRSA-N 2 2 341.430 3.197 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2cn(C)cn2)cc1C[NH+]1CCCCC1 ZINC000903351713 1317690330 /nfs/dbraw/zinc/69/03/30/1317690330.db2.gz PETUQUHHWYFPAH-INIZCTEOSA-N 2 2 342.487 3.265 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903899909 1317744885 /nfs/dbraw/zinc/74/48/85/1317744885.db2.gz YLMBKQMLZWCVCG-CZUORRHYSA-N 2 2 347.400 3.016 20 0 EGADLP [NH3+][C@@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)CC(F)F ZINC000903924884 1317750273 /nfs/dbraw/zinc/75/02/73/1317750273.db2.gz JGXYFIAQGWXTIW-CYBMUJFWSA-N 2 2 325.334 3.085 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000809622532 1317848065 /nfs/dbraw/zinc/84/80/65/1317848065.db2.gz JGTIQUYEBRMURJ-CZUORRHYSA-N 2 2 342.468 3.004 20 0 EGADLP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000905180388 1317932058 /nfs/dbraw/zinc/93/20/58/1317932058.db2.gz PSRFLFHJEFUAFC-LAUBAEHRSA-N 2 2 339.483 3.239 20 0 EGADLP CC(C)(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCCCC1 ZINC000907313614 1318209369 /nfs/dbraw/zinc/20/93/69/1318209369.db2.gz IJWJNGDVDNILKV-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC000960081066 1318343703 /nfs/dbraw/zinc/34/37/03/1318343703.db2.gz GSVHHXDNYUGSQE-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C1CC1 ZINC000812718292 1318443856 /nfs/dbraw/zinc/44/38/56/1318443856.db2.gz JRBYSAOQUUHYHQ-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)C1CC1 ZINC000812718292 1318443862 /nfs/dbraw/zinc/44/38/62/1318443862.db2.gz JRBYSAOQUUHYHQ-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP CO[C@@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000812734843 1318445630 /nfs/dbraw/zinc/44/56/30/1318445630.db2.gz SFRUAYLKKWYFRC-FQEVSTJZSA-N 2 2 331.504 3.126 20 0 EGADLP CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000812839843 1318469336 /nfs/dbraw/zinc/46/93/36/1318469336.db2.gz KSYLXTSLBKWPSJ-FQEVSTJZSA-N 2 2 347.547 3.354 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723198 1318610262 /nfs/dbraw/zinc/61/02/62/1318610262.db2.gz RYCZQORPVPMPNU-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723198 1318610267 /nfs/dbraw/zinc/61/02/67/1318610267.db2.gz RYCZQORPVPMPNU-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H]([NH2+]CC4CCCCC4)C3)ccn12 ZINC001022080706 1318792135 /nfs/dbraw/zinc/79/21/35/1318792135.db2.gz MPYFTXROAYMRTM-HDICACEKSA-N 2 2 340.471 3.073 20 0 EGADLP Brc1csc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)n1 ZINC000817560988 1319395775 /nfs/dbraw/zinc/39/57/75/1319395775.db2.gz VHULSGVSCFFTEU-LBPRGKRZSA-N 2 2 341.278 3.233 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817573427 1319399160 /nfs/dbraw/zinc/39/91/60/1319399160.db2.gz DEQGPUXHQHMZLG-LBPRGKRZSA-N 2 2 341.278 3.151 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371342 1319483700 /nfs/dbraw/zinc/48/37/00/1319483700.db2.gz XWEVBHQJOYYJTM-DOTOQJQBSA-N 2 2 342.487 3.131 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371342 1319483715 /nfs/dbraw/zinc/48/37/15/1319483715.db2.gz XWEVBHQJOYYJTM-DOTOQJQBSA-N 2 2 342.487 3.131 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ncc1F ZINC000817985260 1319487035 /nfs/dbraw/zinc/48/70/35/1319487035.db2.gz IOQYAHCYQTULJX-QWRGUYRKSA-N 2 2 342.256 3.309 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961358246 1319515596 /nfs/dbraw/zinc/51/55/96/1319515596.db2.gz FHFTVQVPNJYHTN-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961358246 1319515599 /nfs/dbraw/zinc/51/55/99/1319515599.db2.gz FHFTVQVPNJYHTN-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC000961376857 1319532417 /nfs/dbraw/zinc/53/24/17/1319532417.db2.gz FABMSRIXCKFFDJ-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC000961376857 1319532422 /nfs/dbraw/zinc/53/24/22/1319532422.db2.gz FABMSRIXCKFFDJ-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP CC1CC(C[N@@H+]2CCC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001023445028 1319543586 /nfs/dbraw/zinc/54/35/86/1319543586.db2.gz DLJBRUDYMPMIAT-PCKAHOCUSA-N 2 2 340.471 3.051 20 0 EGADLP CC1CC(C[N@H+]2CCC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001023445028 1319543592 /nfs/dbraw/zinc/54/35/92/1319543592.db2.gz DLJBRUDYMPMIAT-PCKAHOCUSA-N 2 2 340.471 3.051 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413912 1319568393 /nfs/dbraw/zinc/56/83/93/1319568393.db2.gz HALJEUDVEWPVLL-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413912 1319568402 /nfs/dbraw/zinc/56/84/02/1319568402.db2.gz HALJEUDVEWPVLL-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cccn2cc(Cc3noc(CC4(C[NH3+])CCCCC4)n3)[nH+]c12 ZINC000822775981 1320122382 /nfs/dbraw/zinc/12/23/82/1320122382.db2.gz TXYSGAICBJBYQE-UHFFFAOYSA-N 2 2 339.443 3.068 20 0 EGADLP CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000823629319 1320193195 /nfs/dbraw/zinc/19/31/95/1320193195.db2.gz PRCHLQGYELPGFA-QGZVFWFLSA-N 2 2 344.421 3.027 20 0 EGADLP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000823629319 1320193199 /nfs/dbraw/zinc/19/31/99/1320193199.db2.gz PRCHLQGYELPGFA-QGZVFWFLSA-N 2 2 344.421 3.027 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c(N(C)C)[nH+]1 ZINC000841407422 1321269379 /nfs/dbraw/zinc/26/93/79/1321269379.db2.gz DMQXOPQBKZCGSD-KRWDZBQOSA-N 2 2 326.444 3.088 20 0 EGADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048371 1321460929 /nfs/dbraw/zinc/46/09/29/1321460929.db2.gz NBSAEXPOEBDREA-INIZCTEOSA-N 2 2 346.906 3.489 20 0 EGADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048371 1321460931 /nfs/dbraw/zinc/46/09/31/1321460931.db2.gz NBSAEXPOEBDREA-INIZCTEOSA-N 2 2 346.906 3.489 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843058737 1321464143 /nfs/dbraw/zinc/46/41/43/1321464143.db2.gz XESGJLLKUKXGHU-XJKSGUPXSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843058737 1321464146 /nfs/dbraw/zinc/46/41/46/1321464146.db2.gz XESGJLLKUKXGHU-XJKSGUPXSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843057863 1321464282 /nfs/dbraw/zinc/46/42/82/1321464282.db2.gz MZVMBYRQOBMONJ-WMLDXEAASA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843057863 1321464285 /nfs/dbraw/zinc/46/42/85/1321464285.db2.gz MZVMBYRQOBMONJ-WMLDXEAASA-N 2 2 346.906 3.371 20 0 EGADLP CC[NH+](CC)[C@@H](c1nc(CC[NH3+])no1)c1cccc(C(F)(F)F)c1 ZINC000843132381 1321474915 /nfs/dbraw/zinc/47/49/15/1321474915.db2.gz WBHUIMSYSMJQMR-CQSZACIVSA-N 2 2 342.365 3.021 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000843358645 1321506340 /nfs/dbraw/zinc/50/63/40/1321506340.db2.gz JZKYQOLKDZTVCP-UHFFFAOYSA-N 2 2 339.443 3.124 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568459 1321978143 /nfs/dbraw/zinc/97/81/43/1321978143.db2.gz JGSHYKHBHDYLLO-KFKAGJAMSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568459 1321978148 /nfs/dbraw/zinc/97/81/48/1321978148.db2.gz JGSHYKHBHDYLLO-KFKAGJAMSA-N 2 2 343.471 3.311 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000849055304 1322060596 /nfs/dbraw/zinc/06/05/96/1322060596.db2.gz NQELNTQTLGSFQQ-UHFFFAOYSA-N 2 2 333.439 3.054 20 0 EGADLP COc1ccc(NC(=[NH2+])NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000849054910 1322060656 /nfs/dbraw/zinc/06/06/56/1322060656.db2.gz HHHDFGSYILAZOV-UHFFFAOYSA-N 2 2 335.411 3.076 20 0 EGADLP CN(C(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CC1 ZINC000849078578 1322068710 /nfs/dbraw/zinc/06/87/10/1322068710.db2.gz DNVPCUDYMWRHEI-QGZVFWFLSA-N 2 2 334.895 3.313 20 0 EGADLP CN(C(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CC1 ZINC000849078578 1322068716 /nfs/dbraw/zinc/06/87/16/1322068716.db2.gz DNVPCUDYMWRHEI-QGZVFWFLSA-N 2 2 334.895 3.313 20 0 EGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCOc2ccccc21 ZINC000849090815 1322075218 /nfs/dbraw/zinc/07/52/18/1322075218.db2.gz QKTDWHWLWNGJSW-SFHVURJKSA-N 2 2 347.422 3.010 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)c2cccc3ccccc32)s1 ZINC000850360205 1322233694 /nfs/dbraw/zinc/23/36/94/1322233694.db2.gz DFVJGZGVRPIQPL-SFHVURJKSA-N 2 2 341.480 3.181 20 0 EGADLP FC(F)(F)Cn1ccnc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507201 1322765729 /nfs/dbraw/zinc/76/57/29/1322765729.db2.gz NZUNLLBPDKEHNG-CQSZACIVSA-N 2 2 344.425 3.047 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ncnn21 ZINC000924586154 1323064483 /nfs/dbraw/zinc/06/44/83/1323064483.db2.gz HQNNGMCECGKJCY-QAPCUYQASA-N 2 2 325.460 3.060 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cc(CO)on1 ZINC000924586770 1323064583 /nfs/dbraw/zinc/06/45/83/1323064583.db2.gz LMMQLXMOQZGAIM-OAHLLOKOSA-N 2 2 329.444 3.004 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667491 1323102641 /nfs/dbraw/zinc/10/26/41/1323102641.db2.gz KTEGAUOTJIHQBR-MDZRGWNJSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667491 1323102645 /nfs/dbraw/zinc/10/26/45/1323102645.db2.gz KTEGAUOTJIHQBR-MDZRGWNJSA-N 2 2 339.487 3.306 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001024071840 1323108854 /nfs/dbraw/zinc/10/88/54/1323108854.db2.gz JBOWSDDYCOWAAU-SFHVURJKSA-N 2 2 329.488 3.249 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924701375 1323120046 /nfs/dbraw/zinc/12/00/46/1323120046.db2.gz QIDJFFRHHUJOQE-FFZOFVMBSA-N 2 2 343.515 3.321 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924701375 1323120055 /nfs/dbraw/zinc/12/00/55/1323120055.db2.gz QIDJFFRHHUJOQE-FFZOFVMBSA-N 2 2 343.515 3.321 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1C ZINC000852109105 1323149005 /nfs/dbraw/zinc/14/90/05/1323149005.db2.gz VODDNHKNEXSLRU-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1C ZINC000852109105 1323149009 /nfs/dbraw/zinc/14/90/09/1323149009.db2.gz VODDNHKNEXSLRU-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1C ZINC000852109105 1323149013 /nfs/dbraw/zinc/14/90/13/1323149013.db2.gz VODDNHKNEXSLRU-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1C ZINC000852109105 1323149020 /nfs/dbraw/zinc/14/90/20/1323149020.db2.gz VODDNHKNEXSLRU-OAQYLSRUSA-N 2 2 340.467 3.328 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924788147 1323163137 /nfs/dbraw/zinc/16/31/37/1323163137.db2.gz LPPGQIDKLVVIME-NRFANRHFSA-N 2 2 339.483 3.180 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000924855579 1323188983 /nfs/dbraw/zinc/18/89/83/1323188983.db2.gz WSNUFJISDCRAIS-NVXWUHKLSA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000924855579 1323188984 /nfs/dbraw/zinc/18/89/84/1323188984.db2.gz WSNUFJISDCRAIS-NVXWUHKLSA-N 2 2 329.444 3.246 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(CO)on1 ZINC000924859180 1323189018 /nfs/dbraw/zinc/18/90/18/1323189018.db2.gz BEZJXBVGHZCZBK-INIZCTEOSA-N 2 2 343.471 3.394 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3CCC(C)C)ccn12 ZINC001024440695 1323401947 /nfs/dbraw/zinc/40/19/47/1323401947.db2.gz RMMDBNLTUFZIKI-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3CCC(C)C)ccn12 ZINC001024440695 1323401951 /nfs/dbraw/zinc/40/19/51/1323401951.db2.gz RMMDBNLTUFZIKI-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510160 1323457225 /nfs/dbraw/zinc/45/72/25/1323457225.db2.gz FRRWRFRWXWHTKH-INIZCTEOSA-N 2 2 326.444 3.113 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510160 1323457230 /nfs/dbraw/zinc/45/72/30/1323457230.db2.gz FRRWRFRWXWHTKH-INIZCTEOSA-N 2 2 326.444 3.113 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510766 1323459329 /nfs/dbraw/zinc/45/93/29/1323459329.db2.gz WGJCGHQUUDBKTK-SFHVURJKSA-N 2 2 348.450 3.347 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510766 1323459332 /nfs/dbraw/zinc/45/93/32/1323459332.db2.gz WGJCGHQUUDBKTK-SFHVURJKSA-N 2 2 348.450 3.347 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001025017923 1323828386 /nfs/dbraw/zinc/82/83/86/1323828386.db2.gz VIANGDASBQKCLM-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457705 1324299627 /nfs/dbraw/zinc/29/96/27/1324299627.db2.gz DPURKCMHAHPAGJ-GJZGRUSLSA-N 2 2 328.460 3.193 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457705 1324299631 /nfs/dbraw/zinc/29/96/31/1324299631.db2.gz DPURKCMHAHPAGJ-GJZGRUSLSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC001026598652 1324923267 /nfs/dbraw/zinc/92/32/67/1324923267.db2.gz RNJOBRBDTQYXDK-RWBZWWBESA-N 2 2 340.471 3.039 20 0 EGADLP C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925419806 1325145709 /nfs/dbraw/zinc/14/57/09/1325145709.db2.gz DFOPMZXCKKXEAX-SCLBCKFNSA-N 2 2 334.410 3.411 20 0 EGADLP FC(F)(F)c1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925498906 1325179898 /nfs/dbraw/zinc/17/98/98/1325179898.db2.gz TUCGLPKYPIHAHG-GDBMZVCRSA-N 2 2 339.405 3.158 20 0 EGADLP c1sc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc1-c1ccncc1 ZINC000925732205 1325274306 /nfs/dbraw/zinc/27/43/06/1325274306.db2.gz WSRPQXUPMTZUCG-IRXDYDNUSA-N 2 2 342.512 3.463 20 0 EGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792062 1325302561 /nfs/dbraw/zinc/30/25/61/1325302561.db2.gz OBWRIWUJPMAKTI-MJGOQNOKSA-N 2 2 328.500 3.429 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cnc2ccsc2c1 ZINC000925798742 1325306116 /nfs/dbraw/zinc/30/61/16/1325306116.db2.gz RZDPJKWQLGAFLC-ZFWWWQNUSA-N 2 2 331.485 3.106 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)CC[C@H]3CCC[NH2+]C3)c2)[nH+]c1C ZINC000857002983 1325552726 /nfs/dbraw/zinc/55/27/26/1325552726.db2.gz OHJSEMZADYXDCK-OAHLLOKOSA-N 2 2 326.444 3.412 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595043 1327940429 /nfs/dbraw/zinc/94/04/29/1327940429.db2.gz UAWRQTKOEKUYLB-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595043 1327940437 /nfs/dbraw/zinc/94/04/37/1327940437.db2.gz UAWRQTKOEKUYLB-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP C[N@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649395 1328030916 /nfs/dbraw/zinc/03/09/16/1328030916.db2.gz JMIYSFKOYQTIOG-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](CCC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649395 1328030923 /nfs/dbraw/zinc/03/09/23/1328030923.db2.gz JMIYSFKOYQTIOG-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP O=C(c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)N1CCCC1 ZINC000865620281 1329721063 /nfs/dbraw/zinc/72/10/63/1329721063.db2.gz SVADRUMNPXLSNN-PMACEKPBSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)N1CCCC1 ZINC000865620281 1329721065 /nfs/dbraw/zinc/72/10/65/1329721065.db2.gz SVADRUMNPXLSNN-PMACEKPBSA-N 2 2 341.499 3.029 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932140596 1329788420 /nfs/dbraw/zinc/78/84/20/1329788420.db2.gz BPUCHSLEAFFADN-UHFFFAOYSA-N 2 2 335.455 3.294 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000939541761 1330455472 /nfs/dbraw/zinc/45/54/72/1330455472.db2.gz PTXKBWUHKQYUGO-NVXWUHKLSA-N 2 2 344.503 3.014 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745544 1331176892 /nfs/dbraw/zinc/17/68/92/1331176892.db2.gz PTKQWSYFTHKHAT-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745544 1331176894 /nfs/dbraw/zinc/17/68/94/1331176894.db2.gz PTKQWSYFTHKHAT-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940922793 1331255960 /nfs/dbraw/zinc/25/59/60/1331255960.db2.gz WLXYCSGHLCCTKA-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940922793 1331255962 /nfs/dbraw/zinc/25/59/62/1331255962.db2.gz WLXYCSGHLCCTKA-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCC(C)C)[C@@H](C)C3)ccn12 ZINC000947315272 1333086059 /nfs/dbraw/zinc/08/60/59/1333086059.db2.gz QIHPGWHJZLDHBD-MAUKXSAKSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCC(C)C)[C@@H](C)C3)ccn12 ZINC000947315272 1333086064 /nfs/dbraw/zinc/08/60/64/1333086064.db2.gz QIHPGWHJZLDHBD-MAUKXSAKSA-N 2 2 342.487 3.272 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947440803 1333127999 /nfs/dbraw/zinc/12/79/99/1333127999.db2.gz DCHYXKUEQQZRHY-RDJZCZTQSA-N 2 2 347.503 3.038 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC000947440803 1333128001 /nfs/dbraw/zinc/12/80/01/1333128001.db2.gz DCHYXKUEQQZRHY-RDJZCZTQSA-N 2 2 347.503 3.038 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450437 1333132460 /nfs/dbraw/zinc/13/24/60/1333132460.db2.gz ULQQGXHWLMTDQV-HOCLYGCPSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450437 1333132462 /nfs/dbraw/zinc/13/24/62/1333132462.db2.gz ULQQGXHWLMTDQV-HOCLYGCPSA-N 2 2 326.444 3.112 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947862651 1333284364 /nfs/dbraw/zinc/28/43/64/1333284364.db2.gz UXNDYBVOUPTWQE-WBVHZDCISA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947862651 1333284366 /nfs/dbraw/zinc/28/43/66/1333284366.db2.gz UXNDYBVOUPTWQE-WBVHZDCISA-N 2 2 346.519 3.138 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947979541 1333330110 /nfs/dbraw/zinc/33/01/10/1333330110.db2.gz IGHSBHCDHBCRAZ-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@@H](C)C1 ZINC000947979541 1333330116 /nfs/dbraw/zinc/33/01/16/1333330116.db2.gz IGHSBHCDHBCRAZ-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553624 1333572129 /nfs/dbraw/zinc/57/21/29/1333572129.db2.gz JGICSUHPOSDNBZ-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948553624 1333572132 /nfs/dbraw/zinc/57/21/32/1333572132.db2.gz JGICSUHPOSDNBZ-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP C[C@@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554386 1333573483 /nfs/dbraw/zinc/57/34/83/1333573483.db2.gz VCXAMXUXDTZNQB-ZBFHGGJFSA-N 2 2 346.450 3.238 20 0 EGADLP C[C@@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554386 1333573487 /nfs/dbraw/zinc/57/34/87/1333573487.db2.gz VCXAMXUXDTZNQB-ZBFHGGJFSA-N 2 2 346.450 3.238 20 0 EGADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950773604 1334127100 /nfs/dbraw/zinc/12/71/00/1334127100.db2.gz MLJXPLBQHWLLQI-INIZCTEOSA-N 2 2 348.450 3.242 20 0 EGADLP CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494680 1335758633 /nfs/dbraw/zinc/75/86/33/1335758633.db2.gz IKOBVIGTTQTNQT-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494680 1335758634 /nfs/dbraw/zinc/75/86/34/1335758634.db2.gz IKOBVIGTTQTNQT-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1C ZINC000968597307 1335978382 /nfs/dbraw/zinc/97/83/82/1335978382.db2.gz VQLNXKCCDMBSAN-HNAYVOBHSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1C ZINC000968597307 1335978383 /nfs/dbraw/zinc/97/83/83/1335978383.db2.gz VQLNXKCCDMBSAN-HNAYVOBHSA-N 2 2 346.519 3.058 20 0 EGADLP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859060 1336070835 /nfs/dbraw/zinc/07/08/35/1336070835.db2.gz LFZRDGOSONQZHA-SFHVURJKSA-N 2 2 342.487 3.417 20 0 EGADLP CCCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859060 1336070838 /nfs/dbraw/zinc/07/08/38/1336070838.db2.gz LFZRDGOSONQZHA-SFHVURJKSA-N 2 2 342.487 3.417 20 0 EGADLP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859228 1336070969 /nfs/dbraw/zinc/07/09/69/1336070969.db2.gz LUBUKUAVYRUJEU-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859228 1336070971 /nfs/dbraw/zinc/07/09/71/1336070971.db2.gz LUBUKUAVYRUJEU-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920149 1336088970 /nfs/dbraw/zinc/08/89/70/1336088970.db2.gz PJHRBYXEEGDLCS-CVEARBPZSA-N 2 2 346.450 3.285 20 0 EGADLP CC[C@@H](F)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920149 1336088972 /nfs/dbraw/zinc/08/89/72/1336088972.db2.gz PJHRBYXEEGDLCS-CVEARBPZSA-N 2 2 346.450 3.285 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000969317907 1336199863 /nfs/dbraw/zinc/19/98/63/1336199863.db2.gz MDQXBKUGGVOABB-SJLPKXTDSA-N 2 2 348.450 3.208 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206768807 1371158819 /nfs/dbraw/zinc/15/88/19/1371158819.db2.gz LXQFZMADCMVHJE-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017141628 1338894206 /nfs/dbraw/zinc/89/42/06/1338894206.db2.gz LGNCIUJZYRRHJD-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001017141628 1338894213 /nfs/dbraw/zinc/89/42/13/1338894213.db2.gz LGNCIUJZYRRHJD-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017141628 1338894219 /nfs/dbraw/zinc/89/42/19/1338894219.db2.gz LGNCIUJZYRRHJD-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001017141628 1338894226 /nfs/dbraw/zinc/89/42/26/1338894226.db2.gz LGNCIUJZYRRHJD-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1CCC1)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001017154912 1338906098 /nfs/dbraw/zinc/90/60/98/1338906098.db2.gz WRORHNIXYQBSQS-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CC1CCC1)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001017154912 1338906099 /nfs/dbraw/zinc/90/60/99/1338906099.db2.gz WRORHNIXYQBSQS-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632653 1340736078 /nfs/dbraw/zinc/73/60/78/1340736078.db2.gz OUCOMERIJSVCQP-HZPDHXFCSA-N 2 2 348.450 3.376 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632653 1340736081 /nfs/dbraw/zinc/73/60/81/1340736081.db2.gz OUCOMERIJSVCQP-HZPDHXFCSA-N 2 2 348.450 3.376 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029108101 1340931632 /nfs/dbraw/zinc/93/16/32/1340931632.db2.gz VZJMRAHYSPUYEP-MRXNPFEDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029108101 1340931633 /nfs/dbraw/zinc/93/16/33/1340931633.db2.gz VZJMRAHYSPUYEP-MRXNPFEDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025466 1341160640 /nfs/dbraw/zinc/16/06/40/1341160640.db2.gz UYQSOHNIHRQAAB-ZTFGCOKTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025466 1341160641 /nfs/dbraw/zinc/16/06/41/1341160641.db2.gz UYQSOHNIHRQAAB-ZTFGCOKTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025466 1341160642 /nfs/dbraw/zinc/16/06/42/1341160642.db2.gz UYQSOHNIHRQAAB-ZTFGCOKTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025466 1341160643 /nfs/dbraw/zinc/16/06/43/1341160643.db2.gz UYQSOHNIHRQAAB-ZTFGCOKTSA-N 2 2 349.906 3.076 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032473852 1341517939 /nfs/dbraw/zinc/51/79/39/1341517939.db2.gz FRTAWCYUAZHVAX-YRBFXIGRSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032473852 1341517941 /nfs/dbraw/zinc/51/79/41/1341517941.db2.gz FRTAWCYUAZHVAX-YRBFXIGRSA-N 2 2 349.906 3.026 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829837 1341628855 /nfs/dbraw/zinc/62/88/55/1341628855.db2.gz HIBNPAOYNQAWOA-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032829837 1341628861 /nfs/dbraw/zinc/62/88/61/1341628861.db2.gz HIBNPAOYNQAWOA-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032829837 1341628864 /nfs/dbraw/zinc/62/88/64/1341628864.db2.gz HIBNPAOYNQAWOA-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032829837 1341628866 /nfs/dbraw/zinc/62/88/66/1341628866.db2.gz HIBNPAOYNQAWOA-WBAXXEDZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839716 1341630809 /nfs/dbraw/zinc/63/08/09/1341630809.db2.gz FOJXOKMIUUOENF-RKVPGOIHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839716 1341630813 /nfs/dbraw/zinc/63/08/13/1341630813.db2.gz FOJXOKMIUUOENF-RKVPGOIHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839716 1341630814 /nfs/dbraw/zinc/63/08/14/1341630814.db2.gz FOJXOKMIUUOENF-RKVPGOIHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839716 1341630818 /nfs/dbraw/zinc/63/08/18/1341630818.db2.gz FOJXOKMIUUOENF-RKVPGOIHSA-N 2 2 349.906 3.076 20 0 EGADLP CC1(C)CCC(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001034762416 1342743019 /nfs/dbraw/zinc/74/30/19/1342743019.db2.gz AAIIITUXDQSYQF-QAQDUYKDSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036543678 1343546752 /nfs/dbraw/zinc/54/67/52/1343546752.db2.gz VQIMAYPZOOIADB-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1cccc2[nH+]ccn21 ZINC001037212381 1344045871 /nfs/dbraw/zinc/04/58/71/1344045871.db2.gz GGGKBZFRMGRIHL-IRXDYDNUSA-N 2 2 340.471 3.013 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037828428 1344122517 /nfs/dbraw/zinc/12/25/17/1344122517.db2.gz OZNYIWDHSHCESE-ZWKOTPCHSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037963537 1344207068 /nfs/dbraw/zinc/20/70/68/1344207068.db2.gz ZSIBUDDMMNLSSJ-SJORKVTESA-N 2 2 346.519 3.094 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+]3CCCC3CCC3)ccn12 ZINC001038250978 1344343497 /nfs/dbraw/zinc/34/34/97/1344343497.db2.gz FFELBLAYCUMKKA-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+]3CCCC3CCC3)ccn12 ZINC001038250978 1344343503 /nfs/dbraw/zinc/34/35/03/1344343503.db2.gz FFELBLAYCUMKKA-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415720 1344419028 /nfs/dbraw/zinc/41/90/28/1344419028.db2.gz JAYSXFYUYNMWLP-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C)c(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415720 1344419029 /nfs/dbraw/zinc/41/90/29/1344419029.db2.gz JAYSXFYUYNMWLP-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415697 1344419486 /nfs/dbraw/zinc/41/94/86/1344419486.db2.gz ISERDYOLAOGIHR-CRAIPNDOSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415697 1344419488 /nfs/dbraw/zinc/41/94/88/1344419488.db2.gz ISERDYOLAOGIHR-CRAIPNDOSA-N 2 2 348.450 3.437 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874144 1344623062 /nfs/dbraw/zinc/62/30/62/1344623062.db2.gz OABXXTASAHLMQW-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874144 1344623065 /nfs/dbraw/zinc/62/30/65/1344623065.db2.gz OABXXTASAHLMQW-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039135232 1344813919 /nfs/dbraw/zinc/81/39/19/1344813919.db2.gz FQBAJFPYWFCSQA-MRXNPFEDSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039135232 1344813923 /nfs/dbraw/zinc/81/39/23/1344813923.db2.gz FQBAJFPYWFCSQA-MRXNPFEDSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214243 1344929753 /nfs/dbraw/zinc/92/97/53/1344929753.db2.gz RHVWTEYWJPFDFV-KXBFYZLASA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214243 1344929757 /nfs/dbraw/zinc/92/97/57/1344929757.db2.gz RHVWTEYWJPFDFV-KXBFYZLASA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392631 1345042319 /nfs/dbraw/zinc/04/23/19/1345042319.db2.gz XWYKBRSPGIJXCT-NXHRZFHOSA-N 2 2 346.519 3.038 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392631 1345042321 /nfs/dbraw/zinc/04/23/21/1345042321.db2.gz XWYKBRSPGIJXCT-NXHRZFHOSA-N 2 2 346.519 3.038 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001043092342 1346139382 /nfs/dbraw/zinc/13/93/82/1346139382.db2.gz UJNVMYPDDYMGSD-HXUWFJFHSA-N 2 2 346.434 3.007 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044677340 1346401281 /nfs/dbraw/zinc/40/12/81/1346401281.db2.gz LKNSKKUOBXHJHG-SJLPKXTDSA-N 2 2 348.450 3.117 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)cc1 ZINC001045118057 1346497960 /nfs/dbraw/zinc/49/79/60/1346497960.db2.gz BJKBGXQGNMTQBZ-SFHVURJKSA-N 2 2 348.450 3.037 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739716 1347078029 /nfs/dbraw/zinc/07/80/29/1347078029.db2.gz UEUVYIZDEYOZNU-OXQOHEQNSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739716 1347078031 /nfs/dbraw/zinc/07/80/31/1347078031.db2.gz UEUVYIZDEYOZNU-OXQOHEQNSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258448 1347281207 /nfs/dbraw/zinc/28/12/07/1347281207.db2.gz ZFGFDMIBOPZJIX-IEBWSBKVSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258451 1347281390 /nfs/dbraw/zinc/28/13/90/1347281390.db2.gz ZFGFDMIBOPZJIX-PKOBYXMFSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001047821319 1347381433 /nfs/dbraw/zinc/38/14/33/1347381433.db2.gz OXBUBDUQXJGWLS-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047877144 1347396247 /nfs/dbraw/zinc/39/62/47/1347396247.db2.gz BNDODPJDTWQQDJ-HOCLYGCPSA-N 2 2 340.471 3.193 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049552963 1347905891 /nfs/dbraw/zinc/90/58/91/1347905891.db2.gz RJXJLEDEAUMGKJ-RTBURBONSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049552963 1347905894 /nfs/dbraw/zinc/90/58/94/1347905894.db2.gz RJXJLEDEAUMGKJ-RTBURBONSA-N 2 2 338.455 3.042 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700764 1348641134 /nfs/dbraw/zinc/64/11/34/1348641134.db2.gz SLCMFPCECKQQEZ-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700764 1348641138 /nfs/dbraw/zinc/64/11/38/1348641138.db2.gz SLCMFPCECKQQEZ-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104018 1348938231 /nfs/dbraw/zinc/93/82/31/1348938231.db2.gz MPQPAFUOHABUEP-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001053104018 1348938233 /nfs/dbraw/zinc/93/82/33/1348938233.db2.gz MPQPAFUOHABUEP-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105703 1348942815 /nfs/dbraw/zinc/94/28/15/1348942815.db2.gz QGFZWJJKNJNDAA-MJGOQNOKSA-N 2 2 346.519 3.154 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105703 1348942817 /nfs/dbraw/zinc/94/28/17/1348942817.db2.gz QGFZWJJKNJNDAA-MJGOQNOKSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962518 1357440259 /nfs/dbraw/zinc/44/02/59/1357440259.db2.gz NUQKKWQILPRLOL-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962518 1357440261 /nfs/dbraw/zinc/44/02/61/1357440261.db2.gz NUQKKWQILPRLOL-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](C)[N@@H+](CC4CCC4)C3)ccn12 ZINC001071511734 1354735931 /nfs/dbraw/zinc/73/59/31/1354735931.db2.gz PBKSCFLHJBWTPR-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](C)[N@H+](CC4CCC4)C3)ccn12 ZINC001071511734 1354735938 /nfs/dbraw/zinc/73/59/38/1354735938.db2.gz PBKSCFLHJBWTPR-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954352 1355040342 /nfs/dbraw/zinc/04/03/42/1355040342.db2.gz NTFDNHNNRSDGMN-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071954352 1355040343 /nfs/dbraw/zinc/04/03/43/1355040343.db2.gz NTFDNHNNRSDGMN-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001085406006 1358491819 /nfs/dbraw/zinc/49/18/19/1358491819.db2.gz KDIMKIMYVUGSJT-XAWIXRBMSA-N 2 2 346.519 3.104 20 0 EGADLP CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595382 1359158862 /nfs/dbraw/zinc/15/88/62/1359158862.db2.gz ZFMQHJUBQOUUEI-FXAWDEMLSA-N 2 2 348.450 3.171 20 0 EGADLP CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595382 1359158866 /nfs/dbraw/zinc/15/88/66/1359158866.db2.gz ZFMQHJUBQOUUEI-FXAWDEMLSA-N 2 2 348.450 3.171 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920405 1359247384 /nfs/dbraw/zinc/24/73/84/1359247384.db2.gz NXBSDHJWNVTEBC-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926439 1359251598 /nfs/dbraw/zinc/25/15/98/1359251598.db2.gz YMEWKQCSYYGYHZ-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926439 1359251599 /nfs/dbraw/zinc/25/15/99/1359251599.db2.gz YMEWKQCSYYGYHZ-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935547 1359258707 /nfs/dbraw/zinc/25/87/07/1359258707.db2.gz UGOSAPRYBYJRSO-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419720 1360413888 /nfs/dbraw/zinc/41/38/88/1360413888.db2.gz HFSCBUMBCBYZQA-HNNXBMFYSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419720 1360413891 /nfs/dbraw/zinc/41/38/91/1360413891.db2.gz HFSCBUMBCBYZQA-HNNXBMFYSA-N 2 2 328.460 3.192 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089548930 1360502059 /nfs/dbraw/zinc/50/20/59/1360502059.db2.gz QOKIRQNIWNEZNP-INIZCTEOSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089548930 1360502062 /nfs/dbraw/zinc/50/20/62/1360502062.db2.gz QOKIRQNIWNEZNP-INIZCTEOSA-N 2 2 348.535 3.304 20 0 EGADLP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001098814392 1363479126 /nfs/dbraw/zinc/47/91/26/1363479126.db2.gz PNBULOLITXXYHZ-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CCC[NH2+][C@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098822278 1363482623 /nfs/dbraw/zinc/48/26/23/1363482623.db2.gz YFOHHGGEAFNLIO-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(C)C)c[nH+]1 ZINC001099120523 1363634587 /nfs/dbraw/zinc/63/45/87/1363634587.db2.gz CFUZBWWREJXGIQ-KRWDZBQOSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(C)C)c[nH+]1 ZINC001099120523 1363634590 /nfs/dbraw/zinc/63/45/90/1363634590.db2.gz CFUZBWWREJXGIQ-KRWDZBQOSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCCC1 ZINC001099323838 1363750265 /nfs/dbraw/zinc/75/02/65/1363750265.db2.gz BOXGBRNUOTUGLC-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCCC1 ZINC001099323838 1363750268 /nfs/dbraw/zinc/75/02/68/1363750268.db2.gz BOXGBRNUOTUGLC-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357964 1363770720 /nfs/dbraw/zinc/77/07/20/1363770720.db2.gz CWXNGXHOCHNHKP-ZWKOTPCHSA-N 2 2 348.535 3.316 20 0 EGADLP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357964 1363770722 /nfs/dbraw/zinc/77/07/22/1363770722.db2.gz CWXNGXHOCHNHKP-ZWKOTPCHSA-N 2 2 348.535 3.316 20 0 EGADLP CCC(CC)C[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001100333117 1364082370 /nfs/dbraw/zinc/08/23/70/1364082370.db2.gz WTTXDLIUDRQSTP-UHFFFAOYSA-N 2 2 342.487 3.177 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3CC([NH2+]CCC(C)(C)C)C3)ccn12 ZINC001100333088 1364082548 /nfs/dbraw/zinc/08/25/48/1364082548.db2.gz VSLUSJJHVLRLAC-UHFFFAOYSA-N 2 2 342.487 3.177 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100715582 1364232869 /nfs/dbraw/zinc/23/28/69/1364232869.db2.gz RUKMJGAZPREUBN-NSRNAXDJSA-N 2 2 332.492 3.065 20 0 EGADLP CC(C)(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584832 1364635945 /nfs/dbraw/zinc/63/59/45/1364635945.db2.gz VVSYNEGQFZSYEQ-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185493872 1387731760 /nfs/dbraw/zinc/73/17/60/1387731760.db2.gz YPAZBCZEQGKWKC-NVXWUHKLSA-N 2 2 348.535 3.198 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC001324746495 1387759195 /nfs/dbraw/zinc/75/91/95/1387759195.db2.gz MPRLJCJCPHMSAG-QGZVFWFLSA-N 2 2 326.444 3.260 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC001324746495 1387759196 /nfs/dbraw/zinc/75/91/96/1387759196.db2.gz MPRLJCJCPHMSAG-QGZVFWFLSA-N 2 2 326.444 3.260 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001106415431 1366689384 /nfs/dbraw/zinc/68/93/84/1366689384.db2.gz HRPGXSXGOXOSSP-NVXWUHKLSA-N 2 2 342.487 3.068 20 0 EGADLP C[N@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933487 1367385890 /nfs/dbraw/zinc/38/58/90/1367385890.db2.gz ILAHWSJJQHXZCO-OAHLLOKOSA-N 2 2 328.460 3.145 20 0 EGADLP C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933487 1367385899 /nfs/dbraw/zinc/38/58/99/1367385899.db2.gz ILAHWSJJQHXZCO-OAHLLOKOSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670848 1367524042 /nfs/dbraw/zinc/52/40/42/1367524042.db2.gz GLQFRGIHHPWDOZ-BBWFWOEESA-N 2 2 346.519 3.138 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799680 1367603189 /nfs/dbraw/zinc/60/31/89/1367603189.db2.gz ROXBZBLHVRCUQY-IFNLBANCSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699312 1367937160 /nfs/dbraw/zinc/93/71/60/1367937160.db2.gz LFPJAOYWVCSYSJ-YRXWBPOGSA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699312 1367937163 /nfs/dbraw/zinc/93/71/63/1367937163.db2.gz LFPJAOYWVCSYSJ-YRXWBPOGSA-N 2 2 346.519 3.238 20 0 EGADLP CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001194115947 1368186315 /nfs/dbraw/zinc/18/63/15/1368186315.db2.gz IAWAIMKKJYSWMP-SFHVURJKSA-N 2 2 339.524 3.195 20 0 EGADLP CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001194115947 1368186317 /nfs/dbraw/zinc/18/63/17/1368186317.db2.gz IAWAIMKKJYSWMP-SFHVURJKSA-N 2 2 339.524 3.195 20 0 EGADLP CC1CCC(C[N@H+](C)[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001194448646 1368264228 /nfs/dbraw/zinc/26/42/28/1368264228.db2.gz JFWHBCXMFQEZCX-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001194448646 1368264230 /nfs/dbraw/zinc/26/42/30/1368264230.db2.gz JFWHBCXMFQEZCX-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885604 1368529872 /nfs/dbraw/zinc/52/98/72/1368529872.db2.gz VMYHVGOSRNQUGP-QDUQOLNZSA-N 2 2 344.503 3.161 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885604 1368529876 /nfs/dbraw/zinc/52/98/76/1368529876.db2.gz VMYHVGOSRNQUGP-QDUQOLNZSA-N 2 2 344.503 3.161 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242175 1368574271 /nfs/dbraw/zinc/57/42/71/1368574271.db2.gz FPNNOAUTHHARDS-ROUUACIJSA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242175 1368574275 /nfs/dbraw/zinc/57/42/75/1368574275.db2.gz FPNNOAUTHHARDS-ROUUACIJSA-N 2 2 334.508 3.051 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCC3(CCC3)C2)cc1 ZINC001198019196 1368944083 /nfs/dbraw/zinc/94/40/83/1368944083.db2.gz QTGFBZQTAGVGKW-UHFFFAOYSA-N 2 2 343.515 3.086 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCC3(CCC3)C2)cc1 ZINC001198019196 1368944086 /nfs/dbraw/zinc/94/40/86/1368944086.db2.gz QTGFBZQTAGVGKW-UHFFFAOYSA-N 2 2 343.515 3.086 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001112853771 1369048202 /nfs/dbraw/zinc/04/82/02/1369048202.db2.gz LMBPFZVDAQWKNF-AATRIKPKSA-N 2 2 340.471 3.147 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001112909625 1369086023 /nfs/dbraw/zinc/08/60/23/1369086023.db2.gz TVYIOMRWIMADAF-VOTSOKGWSA-N 2 2 349.544 3.314 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC001199430442 1369222925 /nfs/dbraw/zinc/22/29/25/1369222925.db2.gz FLWOZPXHNSODFP-UHFFFAOYSA-N 2 2 348.450 3.411 20 0 EGADLP CC(C)CC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183285 1369492113 /nfs/dbraw/zinc/49/21/13/1369492113.db2.gz YCNGVZSNKUGSBS-GOSISDBHSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCCC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588730 1369583596 /nfs/dbraw/zinc/58/35/96/1369583596.db2.gz KHAYARCJRRTQGS-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnc3cnccn23)c(C)c1 ZINC001201601137 1369586879 /nfs/dbraw/zinc/58/68/79/1369586879.db2.gz STFRZAZMBFQFAC-LJQANCHMSA-N 2 2 346.438 3.074 20 0 EGADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC1CCCCCC1 ZINC001202418376 1369766275 /nfs/dbraw/zinc/76/62/75/1369766275.db2.gz URPFGVGNJXYPMV-UHFFFAOYSA-N 2 2 346.515 3.458 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239581 1370036578 /nfs/dbraw/zinc/03/65/78/1370036578.db2.gz IUAAZCCVLUOYOK-IRXDYDNUSA-N 2 2 346.519 3.117 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)c(C)c3C)CC2)c1 ZINC001203726464 1370235914 /nfs/dbraw/zinc/23/59/14/1370235914.db2.gz CHBOGCOPHDHTDD-UHFFFAOYSA-N 2 2 341.455 3.038 20 0 EGADLP COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001203886155 1370299351 /nfs/dbraw/zinc/29/93/51/1370299351.db2.gz QOANHTKUMRWQCS-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001203886155 1370299355 /nfs/dbraw/zinc/29/93/55/1370299355.db2.gz QOANHTKUMRWQCS-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccnc5ccccc45)C[C@H]3C2)nc1 ZINC001204084752 1370372142 /nfs/dbraw/zinc/37/21/42/1370372142.db2.gz MQNMDKBSFAQICZ-OALUTQOASA-N 2 2 344.462 3.194 20 0 EGADLP COCOc1cc(C)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(C)c1 ZINC001204612923 1370530209 /nfs/dbraw/zinc/53/02/09/1370530209.db2.gz YELYXUJJDLKVPA-LJQANCHMSA-N 2 2 340.467 3.486 20 0 EGADLP COCOc1cc(C)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(C)c1 ZINC001204612923 1370530211 /nfs/dbraw/zinc/53/02/11/1370530211.db2.gz YELYXUJJDLKVPA-LJQANCHMSA-N 2 2 340.467 3.486 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC001204933393 1370609453 /nfs/dbraw/zinc/60/94/53/1370609453.db2.gz SQAZBFZZZBVYHV-FQEVSTJZSA-N 2 2 338.451 3.453 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCCC[C@H]3C[NH3+])c2)cc1 ZINC001204933393 1370609454 /nfs/dbraw/zinc/60/94/54/1370609454.db2.gz SQAZBFZZZBVYHV-FQEVSTJZSA-N 2 2 338.451 3.453 20 0 EGADLP O=C(NCC1([NH2+]C/C=C/Cl)CCCCC1)c1cccc2[nH+]ccn21 ZINC001115627433 1370621022 /nfs/dbraw/zinc/62/10/22/1370621022.db2.gz FAJJXTQPFBSLKA-BJMVGYQFSA-N 2 2 346.862 3.109 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1Cl ZINC001205056083 1370639974 /nfs/dbraw/zinc/63/99/74/1370639974.db2.gz PSFIFHPXJZIBOW-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1Cl ZINC001205056083 1370639979 /nfs/dbraw/zinc/63/99/79/1370639979.db2.gz PSFIFHPXJZIBOW-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)ccc1F ZINC001205171565 1370668805 /nfs/dbraw/zinc/66/88/05/1370668805.db2.gz HRQURCPYWATYPD-ROUUACIJSA-N 2 2 325.431 3.093 20 0 EGADLP C[NH+](C)CCCOc1ccc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cn1 ZINC001205255968 1370697829 /nfs/dbraw/zinc/69/78/29/1370697829.db2.gz STNNKHHHIOLSHC-UHFFFAOYSA-N 2 2 340.402 3.404 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCC2=CCCCC2)CCCCC1 ZINC001115749390 1370730249 /nfs/dbraw/zinc/73/02/49/1370730249.db2.gz ZAPMCHQOKUJLLO-UHFFFAOYSA-N 2 2 344.503 3.251 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487389 1370770377 /nfs/dbraw/zinc/77/03/77/1370770377.db2.gz DFHHLLRICZGQSW-UBZMYNMCSA-N 2 2 344.503 3.088 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487389 1370770380 /nfs/dbraw/zinc/77/03/80/1370770380.db2.gz DFHHLLRICZGQSW-UBZMYNMCSA-N 2 2 344.503 3.088 20 0 EGADLP CCn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001205557517 1370790036 /nfs/dbraw/zinc/79/00/36/1370790036.db2.gz TUXZBADJHJZRCB-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001205557517 1370790041 /nfs/dbraw/zinc/79/00/41/1370790041.db2.gz TUXZBADJHJZRCB-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557517 1370790045 /nfs/dbraw/zinc/79/00/45/1370790045.db2.gz TUXZBADJHJZRCB-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001205557517 1370790048 /nfs/dbraw/zinc/79/00/48/1370790048.db2.gz TUXZBADJHJZRCB-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3F)nc2)CCC1(F)F ZINC001205788801 1370871284 /nfs/dbraw/zinc/87/12/84/1370871284.db2.gz RRBXYHOENMJFTJ-AWEZNQCLSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)nc2)CCC1(F)F ZINC001205788801 1370871287 /nfs/dbraw/zinc/87/12/87/1370871287.db2.gz RRBXYHOENMJFTJ-AWEZNQCLSA-N 2 2 335.373 3.304 20 0 EGADLP Cc1cc(N2CCCCC2)[nH+]cc1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001205907960 1370907069 /nfs/dbraw/zinc/90/70/69/1370907069.db2.gz IMFLPJPCWMJKSN-UHFFFAOYSA-N 2 2 336.483 3.457 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)[nH+]1 ZINC001116445389 1370912825 /nfs/dbraw/zinc/91/28/25/1370912825.db2.gz RZPRSEJDRHCEHC-MRXNPFEDSA-N 2 2 325.412 3.195 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc3c2OCO3)[nH+]1 ZINC001116445389 1370912829 /nfs/dbraw/zinc/91/28/29/1370912829.db2.gz RZPRSEJDRHCEHC-MRXNPFEDSA-N 2 2 325.412 3.195 20 0 EGADLP CN(CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC001326041243 1388104682 /nfs/dbraw/zinc/10/46/82/1388104682.db2.gz QGBNMDXUAOHCID-GOSISDBHSA-N 2 2 326.488 3.201 20 0 EGADLP CN(CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC001326041243 1388104690 /nfs/dbraw/zinc/10/46/90/1388104690.db2.gz QGBNMDXUAOHCID-GOSISDBHSA-N 2 2 326.488 3.201 20 0 EGADLP Cc1nc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001206150818 1370973898 /nfs/dbraw/zinc/97/38/98/1370973898.db2.gz CJFCLTARUUOGLX-GASCZTMLSA-N 2 2 333.526 3.385 20 0 EGADLP Cc1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001206150818 1370973901 /nfs/dbraw/zinc/97/39/01/1370973901.db2.gz CJFCLTARUUOGLX-GASCZTMLSA-N 2 2 333.526 3.385 20 0 EGADLP Cc1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001206150818 1370973905 /nfs/dbraw/zinc/97/39/05/1370973905.db2.gz CJFCLTARUUOGLX-GASCZTMLSA-N 2 2 333.526 3.385 20 0 EGADLP Cc1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001206150818 1370973909 /nfs/dbraw/zinc/97/39/09/1370973909.db2.gz CJFCLTARUUOGLX-GASCZTMLSA-N 2 2 333.526 3.385 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206210003 1370993605 /nfs/dbraw/zinc/99/36/05/1370993605.db2.gz JFLNLZHQUHXSQI-KBPBESRZSA-N 2 2 333.220 3.158 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206210003 1370993600 /nfs/dbraw/zinc/99/36/00/1370993600.db2.gz JFLNLZHQUHXSQI-KBPBESRZSA-N 2 2 333.220 3.158 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001206262852 1371007561 /nfs/dbraw/zinc/00/75/61/1371007561.db2.gz ITCHEWIQUHEUFB-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001206262852 1371007563 /nfs/dbraw/zinc/00/75/63/1371007563.db2.gz ITCHEWIQUHEUFB-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206362907 1371033945 /nfs/dbraw/zinc/03/39/45/1371033945.db2.gz SPEXYJQYNKVUHQ-IBGZPJMESA-N 2 2 336.451 3.295 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206362907 1371033949 /nfs/dbraw/zinc/03/39/49/1371033949.db2.gz SPEXYJQYNKVUHQ-IBGZPJMESA-N 2 2 336.451 3.295 20 0 EGADLP [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001206369334 1371035298 /nfs/dbraw/zinc/03/52/98/1371035298.db2.gz BZHYWMGMZWYOLA-KRWDZBQOSA-N 2 2 336.842 3.179 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206428388 1371052521 /nfs/dbraw/zinc/05/25/21/1371052521.db2.gz ZKHZJPFNDHNPQW-OOFWQKGWSA-N 2 2 346.519 3.409 20 0 EGADLP CN(C)c1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001117616711 1371055899 /nfs/dbraw/zinc/05/58/99/1371055899.db2.gz GVRUZUNDDKSVNC-GOSISDBHSA-N 2 2 330.520 3.236 20 0 EGADLP CN(C)c1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001117616711 1371055901 /nfs/dbraw/zinc/05/59/01/1371055901.db2.gz GVRUZUNDDKSVNC-GOSISDBHSA-N 2 2 330.520 3.236 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc2c1CC[C@H]2[NH3+] ZINC001206532869 1371085738 /nfs/dbraw/zinc/08/57/38/1371085738.db2.gz MIANDVOJYAPPQS-HXUWFJFHSA-N 2 2 338.451 3.140 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541765 1371087333 /nfs/dbraw/zinc/08/73/33/1371087333.db2.gz JRWLRFCQHVEJIX-SFTDATJTSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541765 1371087338 /nfs/dbraw/zinc/08/73/38/1371087338.db2.gz JRWLRFCQHVEJIX-SFTDATJTSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541765 1371087343 /nfs/dbraw/zinc/08/73/43/1371087343.db2.gz JRWLRFCQHVEJIX-SFTDATJTSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541765 1371087348 /nfs/dbraw/zinc/08/73/48/1371087348.db2.gz JRWLRFCQHVEJIX-SFTDATJTSA-N 3 2 329.532 3.350 20 0 EGADLP Cc1nc(Cl)c(CC[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)n1 ZINC001206541845 1371087864 /nfs/dbraw/zinc/08/78/64/1371087864.db2.gz LPGZMBCGLUCNFG-HNNXBMFYSA-N 2 2 331.291 3.085 20 0 EGADLP Cc1nc(Cl)c(CC[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)n1 ZINC001206541845 1371087865 /nfs/dbraw/zinc/08/78/65/1371087865.db2.gz LPGZMBCGLUCNFG-HNNXBMFYSA-N 2 2 331.291 3.085 20 0 EGADLP COc1cccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Br ZINC001206574200 1371097264 /nfs/dbraw/zinc/09/72/64/1371097264.db2.gz QLCPVMLXUGGELT-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1Br ZINC001206574200 1371097269 /nfs/dbraw/zinc/09/72/69/1371097269.db2.gz QLCPVMLXUGGELT-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1F ZINC001206632845 1371114080 /nfs/dbraw/zinc/11/40/80/1371114080.db2.gz PANZFPLSHPLAJW-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1F ZINC001206632845 1371114081 /nfs/dbraw/zinc/11/40/81/1371114081.db2.gz PANZFPLSHPLAJW-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206767912 1371157878 /nfs/dbraw/zinc/15/78/78/1371157878.db2.gz GBXUWAXAFSMFJB-OLZOCXBDSA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206767912 1371157882 /nfs/dbraw/zinc/15/78/82/1371157882.db2.gz GBXUWAXAFSMFJB-OLZOCXBDSA-N 2 2 338.546 3.456 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206768807 1371158817 /nfs/dbraw/zinc/15/88/17/1371158817.db2.gz LXQFZMADCMVHJE-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccccc1 ZINC001206772055 1371160514 /nfs/dbraw/zinc/16/05/14/1371160514.db2.gz VFFBFIIDQCRNPL-QGZVFWFLSA-N 2 2 325.387 3.338 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1OC ZINC001206810154 1371177113 /nfs/dbraw/zinc/17/71/13/1371177113.db2.gz NFNBCMMCWJGZIP-RYUDHWBXSA-N 2 2 346.393 3.282 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1OC ZINC001206810154 1371177115 /nfs/dbraw/zinc/17/71/15/1371177115.db2.gz NFNBCMMCWJGZIP-RYUDHWBXSA-N 2 2 346.393 3.282 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812202 1371177937 /nfs/dbraw/zinc/17/79/37/1371177937.db2.gz XWUQGTDEKVXUQP-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206812202 1371177939 /nfs/dbraw/zinc/17/79/39/1371177939.db2.gz XWUQGTDEKVXUQP-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206992408 1371261471 /nfs/dbraw/zinc/26/14/71/1371261471.db2.gz UJEQGPCKUZJJGB-OAQYLSRUSA-N 3 2 329.532 3.363 20 0 EGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206992408 1371261472 /nfs/dbraw/zinc/26/14/72/1371261472.db2.gz UJEQGPCKUZJJGB-OAQYLSRUSA-N 3 2 329.532 3.363 20 0 EGADLP CC[N@H+](C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207313191 1371358111 /nfs/dbraw/zinc/35/81/11/1371358111.db2.gz MZKGYJLFLYIVBF-QGZVFWFLSA-N 2 2 339.524 3.192 20 0 EGADLP CC[N@@H+](C[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207313191 1371358112 /nfs/dbraw/zinc/35/81/12/1371358112.db2.gz MZKGYJLFLYIVBF-QGZVFWFLSA-N 2 2 339.524 3.192 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691117 1371388925 /nfs/dbraw/zinc/38/89/25/1371388925.db2.gz GJQURCXVXNGVGJ-HDYDNRTBSA-N 2 2 339.483 3.422 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691117 1371388931 /nfs/dbraw/zinc/38/89/31/1371388931.db2.gz GJQURCXVXNGVGJ-HDYDNRTBSA-N 2 2 339.483 3.422 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120011009 1371454719 /nfs/dbraw/zinc/45/47/19/1371454719.db2.gz YUKOIIQVBSKEDI-QGZVFWFLSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001207658999 1371466245 /nfs/dbraw/zinc/46/62/45/1371466245.db2.gz CTHNKHGGGQNLCH-BHIYHBOVSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001207658999 1371466249 /nfs/dbraw/zinc/46/62/49/1371466249.db2.gz CTHNKHGGGQNLCH-BHIYHBOVSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703369 1371479310 /nfs/dbraw/zinc/47/93/10/1371479310.db2.gz ZVBZZFHXOMUBHF-QMTMVMCOSA-N 2 2 342.487 3.295 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703369 1371479313 /nfs/dbraw/zinc/47/93/13/1371479313.db2.gz ZVBZZFHXOMUBHF-QMTMVMCOSA-N 2 2 342.487 3.295 20 0 EGADLP CCCCCC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120085819 1371482540 /nfs/dbraw/zinc/48/25/40/1371482540.db2.gz YTUSXCMLKWRFAG-UHFFFAOYSA-N 2 2 348.535 3.342 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001120574374 1371616632 /nfs/dbraw/zinc/61/66/32/1371616632.db2.gz YHWIFVONMYBZOL-QGZVFWFLSA-N 2 2 346.450 3.364 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387156 1371746982 /nfs/dbraw/zinc/74/69/82/1371746982.db2.gz OGCUIUXAZZJHOR-RBUKOAKNSA-N 2 2 348.535 3.487 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001208559062 1371817654 /nfs/dbraw/zinc/81/76/54/1371817654.db2.gz ATXVUGKCIOMRPE-HLLBOEOZSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001208559062 1371817659 /nfs/dbraw/zinc/81/76/59/1371817659.db2.gz ATXVUGKCIOMRPE-HLLBOEOZSA-N 2 2 346.519 3.092 20 0 EGADLP CCN(CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)C(=O)OC(C)(C)C ZINC001208578423 1371825557 /nfs/dbraw/zinc/82/55/57/1371825557.db2.gz XTJUTLWDJVVXSP-INIZCTEOSA-N 2 2 349.475 3.100 20 0 EGADLP CCN(CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)C(=O)OC(C)(C)C ZINC001208578423 1371825563 /nfs/dbraw/zinc/82/55/63/1371825563.db2.gz XTJUTLWDJVVXSP-INIZCTEOSA-N 2 2 349.475 3.100 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121029710 1371838074 /nfs/dbraw/zinc/83/80/74/1371838074.db2.gz RVBOBEZKFQIQRF-PLNGDYQASA-N 2 2 344.503 3.106 20 0 EGADLP CCC[C@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617851 1371843011 /nfs/dbraw/zinc/84/30/11/1371843011.db2.gz QBPSWGJGIPUBFP-IRXDYDNUSA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617851 1371843016 /nfs/dbraw/zinc/84/30/16/1371843016.db2.gz QBPSWGJGIPUBFP-IRXDYDNUSA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617851 1371843018 /nfs/dbraw/zinc/84/30/18/1371843018.db2.gz QBPSWGJGIPUBFP-IRXDYDNUSA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617851 1371843021 /nfs/dbraw/zinc/84/30/21/1371843021.db2.gz QBPSWGJGIPUBFP-IRXDYDNUSA-N 2 2 339.524 3.050 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845374 /nfs/dbraw/zinc/84/53/74/1371845374.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845381 /nfs/dbraw/zinc/84/53/81/1371845381.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845384 /nfs/dbraw/zinc/84/53/84/1371845384.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619083 1371845389 /nfs/dbraw/zinc/84/53/89/1371845389.db2.gz VDIBZKDGPQZATG-VXKWHMMOSA-N 3 2 341.543 3.316 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccncc1)[C@@H]2C ZINC001209187092 1372031453 /nfs/dbraw/zinc/03/14/53/1372031453.db2.gz YQMFXILSZHBONY-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1ccncc1)[C@@H]2C ZINC001209187092 1372031456 /nfs/dbraw/zinc/03/14/56/1372031456.db2.gz YQMFXILSZHBONY-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1ccncc1)[C@@H]2C ZINC001209187092 1372031460 /nfs/dbraw/zinc/03/14/60/1372031460.db2.gz YQMFXILSZHBONY-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1ccncc1)[C@@H]2C ZINC001209187092 1372031464 /nfs/dbraw/zinc/03/14/64/1372031464.db2.gz YQMFXILSZHBONY-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475591 1372117003 /nfs/dbraw/zinc/11/70/03/1372117003.db2.gz UWEUNNHSDLQUBM-HZPDHXFCSA-N 2 2 349.475 3.146 20 0 EGADLP CC[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475591 1372117006 /nfs/dbraw/zinc/11/70/06/1372117006.db2.gz UWEUNNHSDLQUBM-HZPDHXFCSA-N 2 2 349.475 3.146 20 0 EGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733576 1372179281 /nfs/dbraw/zinc/17/92/81/1372179281.db2.gz FXANOMIRRYLANM-ZJOUEHCJSA-N 3 2 336.483 3.105 20 0 EGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733576 1372179283 /nfs/dbraw/zinc/17/92/83/1372179283.db2.gz FXANOMIRRYLANM-ZJOUEHCJSA-N 3 2 336.483 3.105 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733576 1372179284 /nfs/dbraw/zinc/17/92/84/1372179284.db2.gz FXANOMIRRYLANM-ZJOUEHCJSA-N 3 2 336.483 3.105 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209733576 1372179286 /nfs/dbraw/zinc/17/92/86/1372179286.db2.gz FXANOMIRRYLANM-ZJOUEHCJSA-N 3 2 336.483 3.105 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051927 1372263310 /nfs/dbraw/zinc/26/33/10/1372263310.db2.gz LVQMPWGWKDBQDU-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051927 1372263312 /nfs/dbraw/zinc/26/33/12/1372263312.db2.gz LVQMPWGWKDBQDU-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[NH2+]Cc1cccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001211136118 1372489498 /nfs/dbraw/zinc/48/94/98/1372489498.db2.gz PKAMTJFLHCXGRJ-GASCZTMLSA-N 2 2 326.444 3.158 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2cncc(N3CC[NH+](C)CC3)c2)cc1 ZINC001212970049 1372808037 /nfs/dbraw/zinc/80/80/37/1372808037.db2.gz RYUMVENVZQIDCW-UHFFFAOYSA-N 2 2 339.487 3.423 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916504 1373141811 /nfs/dbraw/zinc/14/18/11/1373141811.db2.gz FIWAZIORJHGGKR-IWOQZAADSA-N 2 2 346.519 3.263 20 0 EGADLP Cc1cc(CO)cc(C)c1[N@@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001214952002 1373147227 /nfs/dbraw/zinc/14/72/27/1373147227.db2.gz NPRQTPNXGMSQAX-UHFFFAOYSA-N 2 2 337.398 3.454 20 0 EGADLP Cc1cc(CO)cc(C)c1[N@H+]1C=C(N)C(=[NH2+])C(c2cccc(F)c2)=C1 ZINC001214952002 1373147230 /nfs/dbraw/zinc/14/72/30/1373147230.db2.gz NPRQTPNXGMSQAX-UHFFFAOYSA-N 2 2 337.398 3.454 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001214964580 1373149178 /nfs/dbraw/zinc/14/91/78/1373149178.db2.gz GRPZHIVEKICXSC-CXAGYDPISA-N 2 2 328.460 3.049 20 0 EGADLP C[NH2+]Cc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1 ZINC001216902908 1373361744 /nfs/dbraw/zinc/36/17/44/1373361744.db2.gz QTTPNNLFYDYJBN-UHFFFAOYSA-N 2 2 331.379 3.309 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001130006289 1373445305 /nfs/dbraw/zinc/44/53/05/1373445305.db2.gz AZBCGFBAYGADMT-HKUYNNGSSA-N 2 2 342.487 3.246 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001130006307 1373445315 /nfs/dbraw/zinc/44/53/15/1373445315.db2.gz BTHBUXDFRZPATF-CRAIPNDOSA-N 2 2 346.450 3.076 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410708 1373609325 /nfs/dbraw/zinc/60/93/25/1373609325.db2.gz KPNLLNQYDZLLSA-KRWDZBQOSA-N 2 2 344.842 3.135 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410708 1373609329 /nfs/dbraw/zinc/60/93/29/1373609329.db2.gz KPNLLNQYDZLLSA-KRWDZBQOSA-N 2 2 344.842 3.135 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001188346829 1388293982 /nfs/dbraw/zinc/29/39/82/1388293982.db2.gz XYWPHLJADJWACW-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125542 1375158947 /nfs/dbraw/zinc/15/89/47/1375158947.db2.gz WBIXJMBKXDXADO-MZIIKBMYSA-N 2 2 346.519 3.252 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125542 1375158954 /nfs/dbraw/zinc/15/89/54/1375158954.db2.gz WBIXJMBKXDXADO-MZIIKBMYSA-N 2 2 346.519 3.252 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961994 1375179901 /nfs/dbraw/zinc/17/99/01/1375179901.db2.gz UGNIJUJZBQFFRY-OSNZYPHYSA-N 2 2 332.492 3.106 20 0 EGADLP Nc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC001226418025 1375255948 /nfs/dbraw/zinc/25/59/48/1375255948.db2.gz GLENIHGXBFVEMS-QGZVFWFLSA-N 2 2 349.434 3.097 20 0 EGADLP Nc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC001226418025 1375255952 /nfs/dbraw/zinc/25/59/52/1375255952.db2.gz GLENIHGXBFVEMS-QGZVFWFLSA-N 2 2 349.434 3.097 20 0 EGADLP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC001327061880 1388370534 /nfs/dbraw/zinc/37/05/34/1388370534.db2.gz MULJTWVBTLULDG-VQIMIIECSA-N 2 2 342.487 3.062 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227705394 1375464224 /nfs/dbraw/zinc/46/42/24/1375464224.db2.gz GCECWVGEYUXSRY-LJQANCHMSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227705394 1375464231 /nfs/dbraw/zinc/46/42/31/1375464231.db2.gz GCECWVGEYUXSRY-LJQANCHMSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001227848587 1375481923 /nfs/dbraw/zinc/48/19/23/1375481923.db2.gz PKQHARSXGAYKFF-BHIYHBOVSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001227848589 1375481977 /nfs/dbraw/zinc/48/19/77/1375481977.db2.gz PKQHARSXGAYKFF-QXAKKESOSA-N 2 2 340.471 3.051 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132782100 1375561284 /nfs/dbraw/zinc/56/12/84/1375561284.db2.gz JGPVZSBRUMDSMN-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001228836023 1375689796 /nfs/dbraw/zinc/68/97/96/1375689796.db2.gz MIOXTQVPLKVHBJ-QXAKKESOSA-N 2 2 346.519 3.432 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229038448 1375749481 /nfs/dbraw/zinc/74/94/81/1375749481.db2.gz VJTKRQMBOKLTPD-UCRXXKMOSA-N 2 2 346.519 3.352 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229038448 1375749483 /nfs/dbraw/zinc/74/94/83/1375749483.db2.gz VJTKRQMBOKLTPD-UCRXXKMOSA-N 2 2 346.519 3.352 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229933390 1375921015 /nfs/dbraw/zinc/92/10/15/1375921015.db2.gz NACAKEBJTYSNHN-HZPDHXFCSA-N 2 2 334.508 3.104 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3CCC[N@H+](Cc4ccccc4F)C3)ccc2[nH+]1 ZINC001230516161 1376049228 /nfs/dbraw/zinc/04/92/28/1376049228.db2.gz OTYGEZHYONSTOC-HNNXBMFYSA-N 2 2 340.402 3.328 20 0 EGADLP Nc1[nH]c2cc(O[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)ccc2[nH+]1 ZINC001230516161 1376049233 /nfs/dbraw/zinc/04/92/33/1376049233.db2.gz OTYGEZHYONSTOC-HNNXBMFYSA-N 2 2 340.402 3.328 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230628596 1376107616 /nfs/dbraw/zinc/10/76/16/1376107616.db2.gz JVNYPDFHKSVJSI-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230628596 1376107619 /nfs/dbraw/zinc/10/76/19/1376107619.db2.gz JVNYPDFHKSVJSI-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP COCC[N@H+](Cc1ccc2ccnc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001231976661 1376368509 /nfs/dbraw/zinc/36/85/09/1376368509.db2.gz BBZKGSWQMBNHQC-UHFFFAOYSA-N 2 2 347.890 3.431 20 0 EGADLP COCC[N@@H+](Cc1ccc2ccnc(Cl)c2c1)C1CC[NH+](C)CC1 ZINC001231976661 1376368513 /nfs/dbraw/zinc/36/85/13/1376368513.db2.gz BBZKGSWQMBNHQC-UHFFFAOYSA-N 2 2 347.890 3.431 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228112 1376423924 /nfs/dbraw/zinc/42/39/24/1376423924.db2.gz LPKYVXIYGVNXQC-JKSUJKDBSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1C ZINC001134230710 1376424698 /nfs/dbraw/zinc/42/46/98/1376424698.db2.gz YCBGUGVFDXQEDM-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP CCc1csc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232470376 1376464970 /nfs/dbraw/zinc/46/49/70/1376464970.db2.gz UJYSYPLWIXYJAP-SJORKVTESA-N 2 2 342.512 3.054 20 0 EGADLP CCc1csc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232470376 1376464975 /nfs/dbraw/zinc/46/49/75/1376464975.db2.gz UJYSYPLWIXYJAP-SJORKVTESA-N 2 2 342.512 3.054 20 0 EGADLP CCc1csc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232470376 1376464976 /nfs/dbraw/zinc/46/49/76/1376464976.db2.gz UJYSYPLWIXYJAP-SJORKVTESA-N 2 2 342.512 3.054 20 0 EGADLP CCc1csc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001232470376 1376464984 /nfs/dbraw/zinc/46/49/84/1376464984.db2.gz UJYSYPLWIXYJAP-SJORKVTESA-N 2 2 342.512 3.054 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(CCO)cc2)CC1 ZINC001232776884 1376511908 /nfs/dbraw/zinc/51/19/08/1376511908.db2.gz HLYOKXIXNABQMN-UHFFFAOYSA-N 2 2 338.495 3.318 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(CCO)cc2)CC1 ZINC001232776884 1376511911 /nfs/dbraw/zinc/51/19/11/1376511911.db2.gz HLYOKXIXNABQMN-UHFFFAOYSA-N 2 2 338.495 3.318 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544337 1376583877 /nfs/dbraw/zinc/58/38/77/1376583877.db2.gz FUHFSCPMBWGBPL-HZPDHXFCSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544337 1376583881 /nfs/dbraw/zinc/58/38/81/1376583881.db2.gz FUHFSCPMBWGBPL-HZPDHXFCSA-N 2 2 332.492 3.106 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001134544253 1376584298 /nfs/dbraw/zinc/58/42/98/1376584298.db2.gz FBHSTSJXQBXNQV-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001134544253 1376584302 /nfs/dbraw/zinc/58/43/02/1376584302.db2.gz FBHSTSJXQBXNQV-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545814 1376584901 /nfs/dbraw/zinc/58/49/01/1376584901.db2.gz RMXYABVNUHOVHU-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545814 1376584905 /nfs/dbraw/zinc/58/49/05/1376584905.db2.gz RMXYABVNUHOVHU-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544308 1376584994 /nfs/dbraw/zinc/58/49/94/1376584994.db2.gz FNWFHJGAKPRFOJ-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544308 1376584997 /nfs/dbraw/zinc/58/49/97/1376584997.db2.gz FNWFHJGAKPRFOJ-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134543713 1376585126 /nfs/dbraw/zinc/58/51/26/1376585126.db2.gz ARPMDNGOIRACAA-JKSUJKDBSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134543713 1376585130 /nfs/dbraw/zinc/58/51/30/1376585130.db2.gz ARPMDNGOIRACAA-JKSUJKDBSA-N 2 2 348.535 3.432 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001233364072 1376629450 /nfs/dbraw/zinc/62/94/50/1376629450.db2.gz OQYTVHGCJRSSGG-UYAOXDASSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001233364072 1376629454 /nfs/dbraw/zinc/62/94/54/1376629454.db2.gz OQYTVHGCJRSSGG-UYAOXDASSA-N 2 2 332.451 3.041 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)C)c[nH+]1 ZINC001134730014 1376682605 /nfs/dbraw/zinc/68/26/05/1376682605.db2.gz RRMKYTHLTFQPJI-JKSUJKDBSA-N 2 2 336.524 3.236 20 0 EGADLP COc1cc2ccccc2cc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235020520 1376828518 /nfs/dbraw/zinc/82/85/18/1376828518.db2.gz DOAZGNCVKOEJEI-NRFANRHFSA-N 2 2 340.467 3.050 20 0 EGADLP COc1cc2ccccc2cc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235020520 1376828523 /nfs/dbraw/zinc/82/85/23/1376828523.db2.gz DOAZGNCVKOEJEI-NRFANRHFSA-N 2 2 340.467 3.050 20 0 EGADLP c1csc(-c2ccccc2C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC001235115202 1376848866 /nfs/dbraw/zinc/84/88/66/1376848866.db2.gz FRBOTAPEPGPGCP-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP c1csc(-c2ccccc2C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC001235115202 1376848872 /nfs/dbraw/zinc/84/88/72/1376848872.db2.gz FRBOTAPEPGPGCP-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP COCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043776 1376864906 /nfs/dbraw/zinc/86/49/06/1376864906.db2.gz LKQJVCQLKSYOPG-DOTOQJQBSA-N 2 2 349.519 3.310 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOC2CCC2)c(C)[nH+]1 ZINC001135042972 1376865678 /nfs/dbraw/zinc/86/56/78/1376865678.db2.gz FGEWOAZOVIJVPY-HOCLYGCPSA-N 2 2 347.503 3.062 20 0 EGADLP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097371 1376893941 /nfs/dbraw/zinc/89/39/41/1376893941.db2.gz MFESRRXRLUADFT-DLBZAZTESA-N 2 2 342.487 3.405 20 0 EGADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2nc(Br)sc2c1 ZINC001235946846 1376921601 /nfs/dbraw/zinc/92/16/01/1376921601.db2.gz DCPMFSHJTSJQLU-UHFFFAOYSA-N 2 2 328.279 3.228 20 0 EGADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2nc(Br)sc2c1 ZINC001235946846 1376921608 /nfs/dbraw/zinc/92/16/08/1376921608.db2.gz DCPMFSHJTSJQLU-UHFFFAOYSA-N 2 2 328.279 3.228 20 0 EGADLP CC[N@H+](Cc1cc2c(c(OC)c1)NC(C)(C)C=C2)[C@@H]1CCC[NH2+]C1 ZINC001236007393 1376925176 /nfs/dbraw/zinc/92/51/76/1376925176.db2.gz AMHBBXULNAAZKE-QGZVFWFLSA-N 2 2 329.488 3.486 20 0 EGADLP CC[N@@H+](Cc1cc2c(c(OC)c1)NC(C)(C)C=C2)[C@@H]1CCC[NH2+]C1 ZINC001236007393 1376925181 /nfs/dbraw/zinc/92/51/81/1376925181.db2.gz AMHBBXULNAAZKE-QGZVFWFLSA-N 2 2 329.488 3.486 20 0 EGADLP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141931 1376975513 /nfs/dbraw/zinc/97/55/13/1376975513.db2.gz JSNTXGZVGGKBPN-HXUWFJFHSA-N 2 2 326.415 3.057 20 0 EGADLP Fc1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141931 1376975520 /nfs/dbraw/zinc/97/55/20/1376975520.db2.gz JSNTXGZVGGKBPN-HXUWFJFHSA-N 2 2 326.415 3.057 20 0 EGADLP C[N@@H+]1CCC[C@H]([NH+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107413 /nfs/dbraw/zinc/10/74/13/1377107413.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@H]([NH+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107415 /nfs/dbraw/zinc/10/74/15/1377107415.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107418 /nfs/dbraw/zinc/10/74/18/1377107418.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001254526682 1377107420 /nfs/dbraw/zinc/10/74/20/1377107420.db2.gz STROCVWABRHPKW-SFTDATJTSA-N 3 2 327.516 3.069 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580544 1377154684 /nfs/dbraw/zinc/15/46/84/1377154684.db2.gz PIMKAZQFUOMXFO-GJZGRUSLSA-N 2 2 334.508 3.042 20 0 EGADLP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840949 1377229018 /nfs/dbraw/zinc/22/90/18/1377229018.db2.gz RWIWYISTXFCGAL-HOTGVXAUSA-N 2 2 328.460 3.159 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001136031289 1377305900 /nfs/dbraw/zinc/30/59/00/1377305900.db2.gz IJEZZJASWPJVOM-LSDHHAIUSA-N 2 2 334.508 3.104 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001266526765 1377328313 /nfs/dbraw/zinc/32/83/13/1377328313.db2.gz ZNYPWABGEUZULJ-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001266526765 1377328316 /nfs/dbraw/zinc/32/83/16/1377328316.db2.gz ZNYPWABGEUZULJ-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC001137082030 1377475217 /nfs/dbraw/zinc/47/52/17/1377475217.db2.gz ZLYVKVRKXULOBT-UHFFFAOYSA-N 2 2 349.567 3.094 20 0 EGADLP Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)n2c1 ZINC001137309006 1377513875 /nfs/dbraw/zinc/51/38/75/1377513875.db2.gz SSSYUQIGUFAHHB-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)n2c1 ZINC001137309006 1377513876 /nfs/dbraw/zinc/51/38/76/1377513876.db2.gz SSSYUQIGUFAHHB-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1ccc(Cl)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1F ZINC001138033056 1377668870 /nfs/dbraw/zinc/66/88/70/1377668870.db2.gz CSUIJZATXWBHTQ-UHFFFAOYSA-N 2 2 339.842 3.418 20 0 EGADLP Oc1cc(O)cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332722 1377704008 /nfs/dbraw/zinc/70/40/08/1377704008.db2.gz HRLUSMPAKWWCOD-RTBURBONSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332722 1377704010 /nfs/dbraw/zinc/70/40/10/1377704010.db2.gz HRLUSMPAKWWCOD-RTBURBONSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332722 1377704014 /nfs/dbraw/zinc/70/40/14/1377704014.db2.gz HRLUSMPAKWWCOD-RTBURBONSA-N 2 2 338.451 3.052 20 0 EGADLP Oc1cc(O)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001138332722 1377704015 /nfs/dbraw/zinc/70/40/15/1377704015.db2.gz HRLUSMPAKWWCOD-RTBURBONSA-N 2 2 338.451 3.052 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138500553 1377733662 /nfs/dbraw/zinc/73/36/62/1377733662.db2.gz AIJZRCOPUKVRKX-UHFFFAOYSA-N 2 2 326.488 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138500553 1377733663 /nfs/dbraw/zinc/73/36/63/1377733663.db2.gz AIJZRCOPUKVRKX-UHFFFAOYSA-N 2 2 326.488 3.074 20 0 EGADLP CNc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138695268 1377769495 /nfs/dbraw/zinc/76/94/95/1377769495.db2.gz ZXBQMMCLSCTGRR-UYAOXDASSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138695268 1377769497 /nfs/dbraw/zinc/76/94/97/1377769497.db2.gz ZXBQMMCLSCTGRR-UYAOXDASSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695268 1377769501 /nfs/dbraw/zinc/76/95/01/1377769501.db2.gz ZXBQMMCLSCTGRR-UYAOXDASSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695268 1377769507 /nfs/dbraw/zinc/76/95/07/1377769507.db2.gz ZXBQMMCLSCTGRR-UYAOXDASSA-N 2 2 336.483 3.077 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc21 ZINC001139189219 1377847116 /nfs/dbraw/zinc/84/71/16/1377847116.db2.gz BLMFIXXAYGELNY-PMACEKPBSA-N 2 2 346.478 3.137 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)c21 ZINC001139195451 1377849661 /nfs/dbraw/zinc/84/96/61/1377849661.db2.gz LWHLHOXWZCICOW-UHFFFAOYSA-N 2 2 326.444 3.106 20 0 EGADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3cccs3)s2)CC1 ZINC001139324725 1377868897 /nfs/dbraw/zinc/86/88/97/1377868897.db2.gz MXCJRMLWFKCZKH-OAHLLOKOSA-N 2 2 348.541 3.294 20 0 EGADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3cccs3)s2)CC1 ZINC001139324725 1377868898 /nfs/dbraw/zinc/86/88/98/1377868898.db2.gz MXCJRMLWFKCZKH-OAHLLOKOSA-N 2 2 348.541 3.294 20 0 EGADLP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356197 1377872612 /nfs/dbraw/zinc/87/26/12/1377872612.db2.gz IDEYYZDIEBFOML-HZPDHXFCSA-N 2 2 339.361 3.008 20 0 EGADLP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139356197 1377872613 /nfs/dbraw/zinc/87/26/13/1377872613.db2.gz IDEYYZDIEBFOML-HZPDHXFCSA-N 2 2 339.361 3.008 20 0 EGADLP CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139358359 1377873541 /nfs/dbraw/zinc/87/35/41/1377873541.db2.gz PRBGHXBBVUNEAX-QGZVFWFLSA-N 2 2 343.427 3.398 20 0 EGADLP CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139358359 1377873544 /nfs/dbraw/zinc/87/35/44/1377873544.db2.gz PRBGHXBBVUNEAX-QGZVFWFLSA-N 2 2 343.427 3.398 20 0 EGADLP COC(=O)c1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001139360995 1377874336 /nfs/dbraw/zinc/87/43/36/1377874336.db2.gz KCPOUNJCTYPQMZ-UHFFFAOYSA-N 2 2 335.407 3.291 20 0 EGADLP COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001139360995 1377874337 /nfs/dbraw/zinc/87/43/37/1377874337.db2.gz KCPOUNJCTYPQMZ-UHFFFAOYSA-N 2 2 335.407 3.291 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001140026338 1377991990 /nfs/dbraw/zinc/99/19/90/1377991990.db2.gz KOTDTHILSSBXFH-QGZVFWFLSA-N 2 2 333.382 3.181 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001140026338 1377991991 /nfs/dbraw/zinc/99/19/91/1377991991.db2.gz KOTDTHILSSBXFH-QGZVFWFLSA-N 2 2 333.382 3.181 20 0 EGADLP CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@@H]1C ZINC001140028104 1377992853 /nfs/dbraw/zinc/99/28/53/1377992853.db2.gz LETMVOSHYPHXBR-QAPCUYQASA-N 2 2 341.455 3.344 20 0 EGADLP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)[C@@H]1C ZINC001140028104 1377992857 /nfs/dbraw/zinc/99/28/57/1377992857.db2.gz LETMVOSHYPHXBR-QAPCUYQASA-N 2 2 341.455 3.344 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5cnccc54)C[C@H]3C2)nc1 ZINC001140141834 1378020049 /nfs/dbraw/zinc/02/00/49/1378020049.db2.gz SOQKZPLKIGHPLL-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccc(Cl)nn2)cc1)C1CC[NH+](C)CC1 ZINC001140410957 1378059153 /nfs/dbraw/zinc/05/91/53/1378059153.db2.gz ZHQNBMRJXOTVDO-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)nn2)cc1)C1CC[NH+](C)CC1 ZINC001140410957 1378059155 /nfs/dbraw/zinc/05/91/55/1378059155.db2.gz ZHQNBMRJXOTVDO-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001140800998 1378139603 /nfs/dbraw/zinc/13/96/03/1378139603.db2.gz DJKSOCWBRCQDSS-KDURUIRLSA-N 2 2 332.451 3.412 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001140800998 1378139604 /nfs/dbraw/zinc/13/96/04/1378139604.db2.gz DJKSOCWBRCQDSS-KDURUIRLSA-N 2 2 332.451 3.412 20 0 EGADLP Cc1cccc(N2CCC[N@H+](Cc3ccc4cccc(O)c4n3)CC2)[nH+]1 ZINC001141024253 1378210752 /nfs/dbraw/zinc/21/07/52/1378210752.db2.gz JUWRMXCIPRDRSX-UHFFFAOYSA-N 2 2 348.450 3.356 20 0 EGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccc4cccc(O)c4n3)CC2)[nH+]1 ZINC001141024253 1378210754 /nfs/dbraw/zinc/21/07/54/1378210754.db2.gz JUWRMXCIPRDRSX-UHFFFAOYSA-N 2 2 348.450 3.356 20 0 EGADLP c1cn2ccc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)cc2[nH+]1 ZINC001141046499 1378219112 /nfs/dbraw/zinc/21/91/12/1378219112.db2.gz CLPLKRDRRXFWRQ-UHFFFAOYSA-N 3 2 346.478 3.432 20 0 EGADLP Cc1ncoc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001141053657 1378222505 /nfs/dbraw/zinc/22/25/05/1378222505.db2.gz LDNXBAQSBVVTMS-JRBPQWBISA-N 2 2 327.472 3.378 20 0 EGADLP Cc1ncoc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001141053657 1378222510 /nfs/dbraw/zinc/22/25/10/1378222510.db2.gz LDNXBAQSBVVTMS-JRBPQWBISA-N 2 2 327.472 3.378 20 0 EGADLP Cc1ncoc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001141053657 1378222513 /nfs/dbraw/zinc/22/25/13/1378222513.db2.gz LDNXBAQSBVVTMS-JRBPQWBISA-N 2 2 327.472 3.378 20 0 EGADLP Cc1ncoc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001141053657 1378222515 /nfs/dbraw/zinc/22/25/15/1378222515.db2.gz LDNXBAQSBVVTMS-JRBPQWBISA-N 2 2 327.472 3.378 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001141455154 1378327582 /nfs/dbraw/zinc/32/75/82/1378327582.db2.gz DVCHAYNBFUUJDG-CQSZACIVSA-N 2 2 326.444 3.131 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001141455154 1378327585 /nfs/dbraw/zinc/32/75/85/1378327585.db2.gz DVCHAYNBFUUJDG-CQSZACIVSA-N 2 2 326.444 3.131 20 0 EGADLP COCC[N@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001141583363 1378346198 /nfs/dbraw/zinc/34/61/98/1378346198.db2.gz CJKNNFNFZRWTSM-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COCC[N@@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001141583363 1378346202 /nfs/dbraw/zinc/34/62/02/1378346202.db2.gz CJKNNFNFZRWTSM-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001142599607 1378463691 /nfs/dbraw/zinc/46/36/91/1378463691.db2.gz MMUCXCUKCSSHRO-UHFFFAOYSA-N 2 2 348.462 3.262 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978376 1378520996 /nfs/dbraw/zinc/52/09/96/1378520996.db2.gz PVERCMRPKXHJKO-IBGZPJMESA-N 2 2 342.874 3.325 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978376 1378520999 /nfs/dbraw/zinc/52/09/99/1378520999.db2.gz PVERCMRPKXHJKO-IBGZPJMESA-N 2 2 342.874 3.325 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978376 1378521001 /nfs/dbraw/zinc/52/10/01/1378521001.db2.gz PVERCMRPKXHJKO-IBGZPJMESA-N 2 2 342.874 3.325 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978376 1378521003 /nfs/dbraw/zinc/52/10/03/1378521003.db2.gz PVERCMRPKXHJKO-IBGZPJMESA-N 2 2 342.874 3.325 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(-c3ccccc3)nn2C)CC1 ZINC001143017237 1378526410 /nfs/dbraw/zinc/52/64/10/1378526410.db2.gz RQZVFURKPZJTTI-UHFFFAOYSA-N 2 2 347.466 3.113 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5nccn5c4)C[C@H]3C2)cc1 ZINC001143021284 1378527407 /nfs/dbraw/zinc/52/74/07/1378527407.db2.gz VJNOEFXVNUYUSZ-NHCUHLMSSA-N 2 2 346.478 3.207 20 0 EGADLP C[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001143017995 1378527866 /nfs/dbraw/zinc/52/78/66/1378527866.db2.gz DIZXWSDYCABXFI-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001143017995 1378527872 /nfs/dbraw/zinc/52/78/72/1378527872.db2.gz DIZXWSDYCABXFI-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506150 1378606532 /nfs/dbraw/zinc/60/65/32/1378606532.db2.gz ZVQFNKIZCATGGV-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506150 1378606534 /nfs/dbraw/zinc/60/65/34/1378606534.db2.gz ZVQFNKIZCATGGV-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)sc1C ZINC001144364681 1378720870 /nfs/dbraw/zinc/72/08/70/1378720870.db2.gz WFFNKAJZVSBUSY-MSOLQXFVSA-N 2 2 342.512 3.109 20 0 EGADLP Cc1nc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)sc1C ZINC001144364681 1378720872 /nfs/dbraw/zinc/72/08/72/1378720872.db2.gz WFFNKAJZVSBUSY-MSOLQXFVSA-N 2 2 342.512 3.109 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)sc1C ZINC001144364681 1378720874 /nfs/dbraw/zinc/72/08/74/1378720874.db2.gz WFFNKAJZVSBUSY-MSOLQXFVSA-N 2 2 342.512 3.109 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)sc1C ZINC001144364681 1378720877 /nfs/dbraw/zinc/72/08/77/1378720877.db2.gz WFFNKAJZVSBUSY-MSOLQXFVSA-N 2 2 342.512 3.109 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766793 1379075358 /nfs/dbraw/zinc/07/53/58/1379075358.db2.gz HPXWSFBBQNJCED-MSOLQXFVSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766793 1379075363 /nfs/dbraw/zinc/07/53/63/1379075363.db2.gz HPXWSFBBQNJCED-MSOLQXFVSA-N 2 2 346.519 3.051 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N[C@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001284614684 1380013758 /nfs/dbraw/zinc/01/37/58/1380013758.db2.gz WIKOQSBTZZYUFN-QGZVFWFLSA-N 2 2 348.535 3.054 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891032 1380149913 /nfs/dbraw/zinc/14/99/13/1380149913.db2.gz HVAURVNNCUFFSM-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891032 1380149914 /nfs/dbraw/zinc/14/99/14/1380149914.db2.gz HVAURVNNCUFFSM-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891032 1380149915 /nfs/dbraw/zinc/14/99/15/1380149915.db2.gz HVAURVNNCUFFSM-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891032 1380149916 /nfs/dbraw/zinc/14/99/16/1380149916.db2.gz HVAURVNNCUFFSM-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891001 1380150039 /nfs/dbraw/zinc/15/00/39/1380150039.db2.gz FVBDPEWPQPFOKG-BEKDMHARSA-N 2 2 332.492 3.086 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891001 1380150041 /nfs/dbraw/zinc/15/00/41/1380150041.db2.gz FVBDPEWPQPFOKG-BEKDMHARSA-N 2 2 332.492 3.086 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891001 1380150043 /nfs/dbraw/zinc/15/00/43/1380150043.db2.gz FVBDPEWPQPFOKG-BEKDMHARSA-N 2 2 332.492 3.086 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891001 1380150045 /nfs/dbraw/zinc/15/00/45/1380150045.db2.gz FVBDPEWPQPFOKG-BEKDMHARSA-N 2 2 332.492 3.086 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093196 1380205110 /nfs/dbraw/zinc/20/51/10/1380205110.db2.gz UWJUTMAYTCFJTG-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093196 1380205114 /nfs/dbraw/zinc/20/51/14/1380205114.db2.gz UWJUTMAYTCFJTG-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1)C1CC1 ZINC001155030411 1380395242 /nfs/dbraw/zinc/39/52/42/1380395242.db2.gz JUKFDRIXSYJADL-QGTPRVQTSA-N 2 2 345.487 3.186 20 0 EGADLP FC(F)(c1nc(Cl)ncc1Cl)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155052800 1380399268 /nfs/dbraw/zinc/39/92/68/1380399268.db2.gz GRLGQFMMYASUKR-UHFFFAOYSA-N 2 2 348.184 3.045 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189106 1380421969 /nfs/dbraw/zinc/42/19/69/1380421969.db2.gz GKKDLLGGDOFGRS-PWHGLLLSSA-N 2 2 346.519 3.403 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189106 1380421970 /nfs/dbraw/zinc/42/19/70/1380421970.db2.gz GKKDLLGGDOFGRS-PWHGLLLSSA-N 2 2 346.519 3.403 20 0 EGADLP C[NH+]1CCN(c2cccc(N3CCc4c5ccccc5oc4C3)[nH+]2)CC1 ZINC001155511139 1380462815 /nfs/dbraw/zinc/46/28/15/1380462815.db2.gz GQBHGRXZEYAANN-UHFFFAOYSA-N 2 2 348.450 3.142 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522307 1380464080 /nfs/dbraw/zinc/46/40/80/1380464080.db2.gz UPHUZMHETMHDQD-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522307 1380464081 /nfs/dbraw/zinc/46/40/81/1380464081.db2.gz UPHUZMHETMHDQD-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP Cc1nc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001155598463 1380471525 /nfs/dbraw/zinc/47/15/25/1380471525.db2.gz OIFNIKSBCCPMGB-OXQOHEQNSA-N 2 2 344.503 3.403 20 0 EGADLP CCCN(CCC)c1cc(N2CC[NH2+]C[C@H]2c2cccs2)nc[nH+]1 ZINC001156109450 1380526288 /nfs/dbraw/zinc/52/62/88/1380526288.db2.gz BUAXMJSLAQPVLU-HNNXBMFYSA-N 2 2 345.516 3.315 20 0 EGADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N(C)C3CC[NH2+]CC3)c12 ZINC001156180792 1380537486 /nfs/dbraw/zinc/53/74/86/1380537486.db2.gz MFXFRMGDHUDPIE-UHFFFAOYSA-N 2 2 349.482 3.285 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[C@@H]([N@H+](C)C(C)C)C3)c2cc1OC ZINC001157009514 1380750649 /nfs/dbraw/zinc/75/06/49/1380750649.db2.gz JQKRHABVMLGEFX-OAHLLOKOSA-N 2 2 329.444 3.171 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[C@@H]([N@@H+](C)C(C)C)C3)c2cc1OC ZINC001157009514 1380750652 /nfs/dbraw/zinc/75/06/52/1380750652.db2.gz JQKRHABVMLGEFX-OAHLLOKOSA-N 2 2 329.444 3.171 20 0 EGADLP CN(CC[N@H+](C)Cc1ccccc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC001157557218 1380965425 /nfs/dbraw/zinc/96/54/25/1380965425.db2.gz ZSKQKQARJGGFCJ-UHFFFAOYSA-N 2 2 339.487 3.035 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccccc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC001157557218 1380965429 /nfs/dbraw/zinc/96/54/29/1380965429.db2.gz ZSKQKQARJGGFCJ-UHFFFAOYSA-N 2 2 339.487 3.035 20 0 EGADLP CCC[NH+]1C[C@@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)C[C@H]2C1 ZINC001157700862 1381007223 /nfs/dbraw/zinc/00/72/23/1381007223.db2.gz XXZJQSSBCFSSBC-HUUCEWRRSA-N 2 2 329.419 3.161 20 0 EGADLP c1ccc2c(c1)cccc2OCCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158151485 1381142773 /nfs/dbraw/zinc/14/27/73/1381142773.db2.gz CPBGQZRVHWAGFC-UHFFFAOYSA-N 2 2 348.450 3.135 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296632 1381188540 /nfs/dbraw/zinc/18/85/40/1381188540.db2.gz QYVMZFCQEVIGRT-ZMBJWTFHSA-N 2 2 346.519 3.333 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296632 1381188542 /nfs/dbraw/zinc/18/85/42/1381188542.db2.gz QYVMZFCQEVIGRT-ZMBJWTFHSA-N 2 2 346.519 3.333 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571694 1381305425 /nfs/dbraw/zinc/30/54/25/1381305425.db2.gz WQMAFHOKYQBGHX-ZMGAVLDPSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571694 1381305444 /nfs/dbraw/zinc/30/54/44/1381305444.db2.gz WQMAFHOKYQBGHX-ZMGAVLDPSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571694 1381305451 /nfs/dbraw/zinc/30/54/51/1381305451.db2.gz WQMAFHOKYQBGHX-ZMGAVLDPSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571694 1381305457 /nfs/dbraw/zinc/30/54/57/1381305457.db2.gz WQMAFHOKYQBGHX-ZMGAVLDPSA-N 2 2 346.519 3.258 20 0 EGADLP CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001158949960 1381481281 /nfs/dbraw/zinc/48/12/81/1381481281.db2.gz XKIQRQPWHAKLIP-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001158949960 1381481291 /nfs/dbraw/zinc/48/12/91/1381481291.db2.gz XKIQRQPWHAKLIP-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(F)cc1 ZINC001159062595 1381551897 /nfs/dbraw/zinc/55/18/97/1381551897.db2.gz MZFMOPFZNWPYLF-IBGZPJMESA-N 2 2 328.435 3.440 20 0 EGADLP OC1C[NH+](Cc2ccc(Nc3cccc(C4CC[NH2+]CC4)c3)cc2)C1 ZINC001159763223 1381893321 /nfs/dbraw/zinc/89/33/21/1381893321.db2.gz DFMQJBGKAZBUBT-UHFFFAOYSA-N 2 2 337.467 3.074 20 0 EGADLP CN(C)c1ccc(N(CC2CC[NH2+]CC2)c2cccc(F)c2N)c[nH+]1 ZINC001160080437 1381991375 /nfs/dbraw/zinc/99/13/75/1381991375.db2.gz XAFZOAKGCIRHQM-UHFFFAOYSA-N 2 2 343.450 3.007 20 0 EGADLP CCCC[N@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125392 1382004969 /nfs/dbraw/zinc/00/49/69/1382004969.db2.gz CKBINKKBKBTPAZ-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP CCCC[N@@H+]1CC=C(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001160125392 1382004972 /nfs/dbraw/zinc/00/49/72/1382004972.db2.gz CKBINKKBKBTPAZ-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP CNc1ccc(Nc2cccc(F)c2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001160195159 1382030051 /nfs/dbraw/zinc/03/00/51/1382030051.db2.gz MIXYRWIHXLKZIX-UHFFFAOYSA-N 2 2 330.407 3.384 20 0 EGADLP CC1(C)C[NH2+]Cc2cc(Nc3ccc[nH+]c3N3CCOCC3)ccc21 ZINC001160285484 1382061194 /nfs/dbraw/zinc/06/11/94/1382061194.db2.gz VELNQPGFWGEQIT-UHFFFAOYSA-N 2 2 338.455 3.043 20 0 EGADLP Cc1cc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c[nH+]c1N ZINC001160347643 1382078533 /nfs/dbraw/zinc/07/85/33/1382078533.db2.gz GUZXNUUVLUALBY-OAHLLOKOSA-N 2 2 334.370 3.092 20 0 EGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160729526 1382181013 /nfs/dbraw/zinc/18/10/13/1382181013.db2.gz KDXDXNBGDZBLMZ-GGPKGHCWSA-N 2 2 347.503 3.049 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+][C@H](C)c2ccccc2C)c[nH+]1 ZINC001160819979 1382208208 /nfs/dbraw/zinc/20/82/08/1382208208.db2.gz AIDSZNNMXJKYKV-QGZVFWFLSA-N 2 2 342.487 3.092 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CC[C@@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC001160827345 1382210150 /nfs/dbraw/zinc/21/01/50/1382210150.db2.gz WPJNDQRDNJYTPC-AEFFLSMTSA-N 2 2 348.535 3.239 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+][C@@H](C)c2cccc(C)c2)c[nH+]1 ZINC001160826655 1382210273 /nfs/dbraw/zinc/21/02/73/1382210273.db2.gz LNFLUMFZCMFSJK-KRWDZBQOSA-N 2 2 342.487 3.092 20 0 EGADLP CCCN(CCC)C(=O)[C@@H](c1ccc(C)cc1)[NH+]1CCC([NH3+])CC1 ZINC001160861018 1382219454 /nfs/dbraw/zinc/21/94/54/1382219454.db2.gz IFAGJFMINXOTLC-LJQANCHMSA-N 2 2 331.504 3.108 20 0 EGADLP O=C(NCCC[NH2+]CCC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160992904 1382265438 /nfs/dbraw/zinc/26/54/38/1382265438.db2.gz UFWYZGVTUKNEGZ-UHFFFAOYSA-N 2 2 326.444 3.163 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)c1 ZINC001161234060 1382351153 /nfs/dbraw/zinc/35/11/53/1382351153.db2.gz KUXFYCCVCVPSCS-UHFFFAOYSA-N 2 2 345.487 3.111 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CN(c3cccc[nH+]3)C2)nc1 ZINC001161326087 1382371398 /nfs/dbraw/zinc/37/13/98/1382371398.db2.gz RHLNBVVGODUTPE-GOSISDBHSA-N 2 2 337.471 3.324 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1c1ccc(NC2CN(c3cccc[nH+]3)C2)nc1 ZINC001161326087 1382371403 /nfs/dbraw/zinc/37/14/03/1382371403.db2.gz RHLNBVVGODUTPE-GOSISDBHSA-N 2 2 337.471 3.324 20 0 EGADLP C[C@@H](CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001161356305 1382380773 /nfs/dbraw/zinc/38/07/73/1382380773.db2.gz JRXYWIRTWLWMRX-KRWDZBQOSA-N 2 2 346.519 3.409 20 0 EGADLP C[C@@H](CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001161356305 1382380779 /nfs/dbraw/zinc/38/07/79/1382380779.db2.gz JRXYWIRTWLWMRX-KRWDZBQOSA-N 2 2 346.519 3.409 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC([NH3+])(CC2CCC2)CC1 ZINC001161576584 1382444449 /nfs/dbraw/zinc/44/44/49/1382444449.db2.gz QDFPAFLYCOLNPA-VOTSOKGWSA-N 2 2 343.471 3.064 20 0 EGADLP Cc1ccccc1CC1(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001161609217 1382456477 /nfs/dbraw/zinc/45/64/77/1382456477.db2.gz DSCKVVHLXQVJTF-UHFFFAOYSA-N 2 2 336.483 3.234 20 0 EGADLP Cc1cc2c(nc[nH+]c2Nc2ccc(Br)cc2C[NH3+])[nH]1 ZINC001161852271 1382529909 /nfs/dbraw/zinc/52/99/09/1382529909.db2.gz JNYBANVWQFBONF-UHFFFAOYSA-N 2 2 332.205 3.231 20 0 EGADLP COc1cc[nH+]c(C(C)(C)CNc2ncccc2C[NH+]2CCCC2)c1 ZINC001162131200 1382635242 /nfs/dbraw/zinc/63/52/42/1382635242.db2.gz USLHCPXFQIIEOI-UHFFFAOYSA-N 2 2 340.471 3.471 20 0 EGADLP COc1cccc2[nH+]c(NCC[C@H]3C[NH2+]Cc4cccn4C3)ccc21 ZINC001163055703 1382956081 /nfs/dbraw/zinc/95/60/81/1382956081.db2.gz COFIGLZORGPCHW-HNNXBMFYSA-N 2 2 336.439 3.267 20 0 EGADLP c1cc2c(s1)[C@H](Nc1cc[nH+]c(OCc3ccccn3)c1)C[NH2+]C2 ZINC001163231176 1383001516 /nfs/dbraw/zinc/00/15/16/1383001516.db2.gz VJNBVIDSDOPQNT-MRXNPFEDSA-N 2 2 338.436 3.374 20 0 EGADLP CC(C)c1cnc(C(C)C)c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164211214 1383166331 /nfs/dbraw/zinc/16/63/31/1383166331.db2.gz NRGCPGXXYPHIGO-UHFFFAOYSA-N 2 2 333.524 3.161 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc(CSC)cc[nH+]2)CC1 ZINC001165112696 1383230646 /nfs/dbraw/zinc/23/06/46/1383230646.db2.gz NPKHJYQYZHQHGK-QGZVFWFLSA-N 2 2 335.517 3.024 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc(CSC)cc[nH+]2)CC1 ZINC001165112696 1383230648 /nfs/dbraw/zinc/23/06/48/1383230648.db2.gz NPKHJYQYZHQHGK-QGZVFWFLSA-N 2 2 335.517 3.024 20 0 EGADLP CC[C@@H](C)c1nc(Cl)c(C)c(-n2c(C)[nH+]c3c2CC[NH2+]CC3)n1 ZINC001165356811 1383280779 /nfs/dbraw/zinc/28/07/79/1383280779.db2.gz UNEKSBBUNFTLQD-SNVBAGLBSA-N 2 2 333.867 3.134 20 0 EGADLP CCCCOc1cnc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c(Cl)c1 ZINC001165354733 1383281029 /nfs/dbraw/zinc/28/10/29/1383281029.db2.gz IKKZTIPTVSPYJG-UHFFFAOYSA-N 2 2 334.851 3.096 20 0 EGADLP CC(C)c1ccc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)[nH+]c1 ZINC001165910662 1383363180 /nfs/dbraw/zinc/36/31/80/1383363180.db2.gz HIHOXVDRFFRUFN-UHFFFAOYSA-N 2 2 339.487 3.454 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001166474655 1383426004 /nfs/dbraw/zinc/42/60/04/1383426004.db2.gz UNRWRESRWMUHLK-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP Nc1ccc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)[nH+]c1 ZINC001166495948 1383429123 /nfs/dbraw/zinc/42/91/23/1383429123.db2.gz ZJKWWKWZJUBECM-UHFFFAOYSA-N 2 2 331.379 3.175 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)n1cc[nH+]c1 ZINC001167427827 1383630797 /nfs/dbraw/zinc/63/07/97/1383630797.db2.gz BCBRMULQBKEVQM-INIZCTEOSA-N 2 2 340.471 3.008 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426644 1383631220 /nfs/dbraw/zinc/63/12/20/1383631220.db2.gz WQTVISYWNVZGLB-INIZCTEOSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167426644 1383631225 /nfs/dbraw/zinc/63/12/25/1383631225.db2.gz WQTVISYWNVZGLB-INIZCTEOSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1)n1cc[nH+]c1 ZINC001167429008 1383632157 /nfs/dbraw/zinc/63/21/57/1383632157.db2.gz ORNKSKBZHHCAKL-YPHWWSSASA-N 2 2 340.471 3.034 20 0 EGADLP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001167973401 1383782744 /nfs/dbraw/zinc/78/27/44/1383782744.db2.gz JNCOPNFUYKEMFI-SEJPIABJSA-N 3 2 331.548 3.246 20 0 EGADLP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001167973401 1383782746 /nfs/dbraw/zinc/78/27/46/1383782746.db2.gz JNCOPNFUYKEMFI-SEJPIABJSA-N 3 2 331.548 3.246 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001167979508 1383785224 /nfs/dbraw/zinc/78/52/24/1383785224.db2.gz SRXFHVXQULLTNL-IRXDYDNUSA-N 2 2 342.487 3.062 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001167979508 1383785228 /nfs/dbraw/zinc/78/52/28/1383785228.db2.gz SRXFHVXQULLTNL-IRXDYDNUSA-N 2 2 342.487 3.062 20 0 EGADLP C[C@@H]1CC([NH2+]Cc2ncccc2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168017623 1383797877 /nfs/dbraw/zinc/79/78/77/1383797877.db2.gz BIPJGZNZTSQNMI-HZPDHXFCSA-N 2 2 325.456 3.318 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001168463534 1383912974 /nfs/dbraw/zinc/91/29/74/1383912974.db2.gz UMLXZXDLEQDJCI-UHFFFAOYSA-N 2 2 344.503 3.040 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001168483922 1383919064 /nfs/dbraw/zinc/91/90/64/1383919064.db2.gz CMZYKUWULSADKL-FFZOFVMBSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001168483922 1383919069 /nfs/dbraw/zinc/91/90/69/1383919069.db2.gz CMZYKUWULSADKL-FFZOFVMBSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001168483922 1383919074 /nfs/dbraw/zinc/91/90/74/1383919074.db2.gz CMZYKUWULSADKL-FFZOFVMBSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001168483922 1383919076 /nfs/dbraw/zinc/91/90/76/1383919076.db2.gz CMZYKUWULSADKL-FFZOFVMBSA-N 2 2 339.458 3.216 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168498569 1383924271 /nfs/dbraw/zinc/92/42/71/1383924271.db2.gz UNHCYDRBMBGKBC-OXQOHEQNSA-N 2 2 334.479 3.332 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168498569 1383924273 /nfs/dbraw/zinc/92/42/73/1383924273.db2.gz UNHCYDRBMBGKBC-OXQOHEQNSA-N 2 2 334.479 3.332 20 0 EGADLP COc1cccc(OCC[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001307568781 1384003296 /nfs/dbraw/zinc/00/32/96/1384003296.db2.gz NPHZXONJWZKJSZ-KRWDZBQOSA-N 2 2 341.455 3.354 20 0 EGADLP COc1cccc(OCC[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001307568781 1384003301 /nfs/dbraw/zinc/00/33/01/1384003301.db2.gz NPHZXONJWZKJSZ-KRWDZBQOSA-N 2 2 341.455 3.354 20 0 EGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828521 1384022722 /nfs/dbraw/zinc/02/27/22/1384022722.db2.gz HPXZCOYNXVFLHK-JYJNAYRXSA-N 2 2 339.524 3.237 20 0 EGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828521 1384022728 /nfs/dbraw/zinc/02/27/28/1384022728.db2.gz HPXZCOYNXVFLHK-JYJNAYRXSA-N 2 2 339.524 3.237 20 0 EGADLP CC[NH+](CC)C1CC[NH+]([C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168862557 1384036971 /nfs/dbraw/zinc/03/69/71/1384036971.db2.gz FRERZXXTAMEPGV-RDJZCZTQSA-N 2 2 339.524 3.191 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001169099346 1384106995 /nfs/dbraw/zinc/10/69/95/1384106995.db2.gz QIWVSCQQKJUFRX-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001169099346 1384106997 /nfs/dbraw/zinc/10/69/97/1384106997.db2.gz QIWVSCQQKJUFRX-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001169099347 1384106985 /nfs/dbraw/zinc/10/69/85/1384106985.db2.gz QIWVSCQQKJUFRX-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1Br)C2 ZINC001169099347 1384106987 /nfs/dbraw/zinc/10/69/87/1384106987.db2.gz QIWVSCQQKJUFRX-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101290 1384107489 /nfs/dbraw/zinc/10/74/89/1384107489.db2.gz QQKCJBYLFMADDJ-QKPAOTATSA-N 2 2 329.271 3.242 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101290 1384107491 /nfs/dbraw/zinc/10/74/91/1384107491.db2.gz QQKCJBYLFMADDJ-QKPAOTATSA-N 2 2 329.271 3.242 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)cs2)cc1 ZINC001308262117 1384114283 /nfs/dbraw/zinc/11/42/83/1384114283.db2.gz ZKJCQISTLZJZFK-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC001308262117 1384114285 /nfs/dbraw/zinc/11/42/85/1384114285.db2.gz ZKJCQISTLZJZFK-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP CCOc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC001308336206 1384120305 /nfs/dbraw/zinc/12/03/05/1384120305.db2.gz DQGNHPSANHZVDJ-GOSISDBHSA-N 2 2 340.471 3.233 20 0 EGADLP Cc1cc(F)ccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC001308336823 1384120363 /nfs/dbraw/zinc/12/03/63/1384120363.db2.gz FDXQLXNYBXKQDJ-SFHVURJKSA-N 2 2 328.435 3.282 20 0 EGADLP CCc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCO2 ZINC001308670044 1384141072 /nfs/dbraw/zinc/14/10/72/1384141072.db2.gz YQKPQTIAITWGIE-UYAOXDASSA-N 2 2 344.499 3.306 20 0 EGADLP CC[NH+](CC)C1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774202 1384185080 /nfs/dbraw/zinc/18/50/80/1384185080.db2.gz DXEUULFDHKXHDO-FQEVSTJZSA-N 2 2 343.515 3.097 20 0 EGADLP c1ccc([C@H](C[NH2+][C@H]2CCCC3(C2)OCCO3)[NH+]2CCCC2)cc1 ZINC001169904990 1384196845 /nfs/dbraw/zinc/19/68/45/1384196845.db2.gz ILKRWTVHCGXEMK-OALUTQOASA-N 2 2 330.472 3.099 20 0 EGADLP CC1(C)CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC(C)(C)N1O ZINC001169976982 1384209242 /nfs/dbraw/zinc/20/92/42/1384209242.db2.gz LQBLLFGXQVKCDY-UHFFFAOYSA-N 2 2 332.492 3.051 20 0 EGADLP Clc1ccc(-c2cn3cc(NC[C@H]4COCC[NH2+]4)ccc3[nH+]2)cc1 ZINC001170045343 1384224472 /nfs/dbraw/zinc/22/44/72/1384224472.db2.gz SHFZGJRSERFCDL-INIZCTEOSA-N 2 2 342.830 3.055 20 0 EGADLP CC(C)CCC[C@H](C)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001170072236 1384229093 /nfs/dbraw/zinc/22/90/93/1384229093.db2.gz ZPQVQVGNARSWEN-SFHVURJKSA-N 2 2 345.531 3.311 20 0 EGADLP CC[C@@H]1C[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215382 1384267050 /nfs/dbraw/zinc/26/70/50/1384267050.db2.gz BJNZANIITVTTSD-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215382 1384267055 /nfs/dbraw/zinc/26/70/55/1384267055.db2.gz BJNZANIITVTTSD-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215382 1384267063 /nfs/dbraw/zinc/26/70/63/1384267063.db2.gz BJNZANIITVTTSD-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)CCO1 ZINC001170215382 1384267067 /nfs/dbraw/zinc/26/70/67/1384267067.db2.gz BJNZANIITVTTSD-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170460110 1384324327 /nfs/dbraw/zinc/32/43/27/1384324327.db2.gz BSOZLDLJHUPVPU-LUKYLMHMSA-N 2 2 341.540 3.483 20 0 EGADLP CCOC(=O)C1=C(Nc2cc([NH+](CC)CC)ccc2C)CC[NH2+]C1 ZINC001170520247 1384333916 /nfs/dbraw/zinc/33/39/16/1384333916.db2.gz FENJAZDCFGFOAW-UHFFFAOYSA-N 2 2 331.460 3.064 20 0 EGADLP Cc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc(C)[nH+]1 ZINC001170522892 1384334975 /nfs/dbraw/zinc/33/49/75/1384334975.db2.gz TYNCDCOIVZRMNM-UHFFFAOYSA-N 3 2 349.482 3.003 20 0 EGADLP CCCCCC[C@H](CC)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001170579156 1384345743 /nfs/dbraw/zinc/34/57/43/1384345743.db2.gz QGXFUMJDSFFERK-HRCADAONSA-N 2 2 327.513 3.272 20 0 EGADLP CC1(C)[C@@H]2C[C@H]([NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)C[C@@H]21 ZINC001170749226 1384377460 /nfs/dbraw/zinc/37/74/60/1384377460.db2.gz DHLYKNXVLOBXFH-BCDXTJNWSA-N 2 2 341.499 3.187 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999805 1384427843 /nfs/dbraw/zinc/42/78/43/1384427843.db2.gz DHXDDBIKRJCCNI-OALUTQOASA-N 2 2 346.490 3.258 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999805 1384427844 /nfs/dbraw/zinc/42/78/44/1384427844.db2.gz DHXDDBIKRJCCNI-OALUTQOASA-N 2 2 346.490 3.258 20 0 EGADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)C2 ZINC001171024725 1384432072 /nfs/dbraw/zinc/43/20/72/1384432072.db2.gz GZATUGNOYVJYKU-HOTGVXAUSA-N 2 2 334.891 3.040 20 0 EGADLP Clc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)C2 ZINC001171024725 1384432074 /nfs/dbraw/zinc/43/20/74/1384432074.db2.gz GZATUGNOYVJYKU-HOTGVXAUSA-N 2 2 334.891 3.040 20 0 EGADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCC3CCCC3)c2)CC1 ZINC001171052682 1384437205 /nfs/dbraw/zinc/43/72/05/1384437205.db2.gz YYEJIONIFBURPY-UHFFFAOYSA-N 2 2 330.476 3.132 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151788 1384455356 /nfs/dbraw/zinc/45/53/56/1384455356.db2.gz KIDORUKXPVZTHF-IRXDYDNUSA-N 2 2 342.487 3.368 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151788 1384455359 /nfs/dbraw/zinc/45/53/59/1384455359.db2.gz KIDORUKXPVZTHF-IRXDYDNUSA-N 2 2 342.487 3.368 20 0 EGADLP COc1ccc(Cl)c2c1C[C@@H](n1c(C)[nH+]c3c1CC[NH2+]CC3)CC2 ZINC001171310608 1384491870 /nfs/dbraw/zinc/49/18/70/1384491870.db2.gz KIALUOZVSZSFAY-ZDUSSCGKSA-N 2 2 345.874 3.272 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC2CCCC2)c[nH+]1 ZINC001171474450 1384532911 /nfs/dbraw/zinc/53/29/11/1384532911.db2.gz BSIMFFPYKIARNW-INIZCTEOSA-N 2 2 348.535 3.381 20 0 EGADLP C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525852 1384551245 /nfs/dbraw/zinc/55/12/45/1384551245.db2.gz DVZKYZDEDFMISH-KBPBESRZSA-N 2 2 334.439 3.189 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171596117 1384573982 /nfs/dbraw/zinc/57/39/82/1384573982.db2.gz KSUAYBQITRVMOB-QZTJIDSGSA-N 2 2 348.535 3.290 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171595809 1384574228 /nfs/dbraw/zinc/57/42/28/1384574228.db2.gz HHWZHXZVDWKODC-IAGOWNOFSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC1(C)C ZINC001171626845 1384584578 /nfs/dbraw/zinc/58/45/78/1384584578.db2.gz DATIXSLBCKNGAZ-UHFFFAOYSA-N 3 2 344.547 3.069 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171895299 1384673311 /nfs/dbraw/zinc/67/33/11/1384673311.db2.gz PRCMBGFYRCTWON-LJQANCHMSA-N 2 2 343.515 3.097 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171895299 1384673315 /nfs/dbraw/zinc/67/33/15/1384673315.db2.gz PRCMBGFYRCTWON-LJQANCHMSA-N 2 2 343.515 3.097 20 0 EGADLP CCOC(=O)C1(C)CCC([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001171957447 1384695637 /nfs/dbraw/zinc/69/56/37/1384695637.db2.gz PLDMRUXIDOHAGK-GNZRSQJKSA-N 2 2 346.471 3.355 20 0 EGADLP CCOC(=O)C1(C)CCC([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001171957447 1384695639 /nfs/dbraw/zinc/69/56/39/1384695639.db2.gz PLDMRUXIDOHAGK-GNZRSQJKSA-N 2 2 346.471 3.355 20 0 EGADLP CC1(C)C[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988964 1384704938 /nfs/dbraw/zinc/70/49/38/1384704938.db2.gz YBXMLBPPDXGJBY-SLFFLAALSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988964 1384704940 /nfs/dbraw/zinc/70/49/40/1384704940.db2.gz YBXMLBPPDXGJBY-SLFFLAALSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988964 1384704942 /nfs/dbraw/zinc/70/49/42/1384704942.db2.gz YBXMLBPPDXGJBY-SLFFLAALSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988964 1384704944 /nfs/dbraw/zinc/70/49/44/1384704944.db2.gz YBXMLBPPDXGJBY-SLFFLAALSA-N 2 2 328.500 3.398 20 0 EGADLP Oc1cccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066690 1384715731 /nfs/dbraw/zinc/71/57/31/1384715731.db2.gz FCTGZTUXLVTJGR-REPLKXPHSA-N 2 2 337.467 3.463 20 0 EGADLP Oc1cccnc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066690 1384715735 /nfs/dbraw/zinc/71/57/35/1384715735.db2.gz FCTGZTUXLVTJGR-REPLKXPHSA-N 2 2 337.467 3.463 20 0 EGADLP Cc1[nH+]cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064798 1384716665 /nfs/dbraw/zinc/71/66/65/1384716665.db2.gz JWEUUPIYAWZAPW-PMOLBWCYSA-N 3 2 338.499 3.451 20 0 EGADLP Cc1[nH+]cn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064798 1384716667 /nfs/dbraw/zinc/71/66/67/1384716667.db2.gz JWEUUPIYAWZAPW-PMOLBWCYSA-N 3 2 338.499 3.451 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102219 1384726598 /nfs/dbraw/zinc/72/65/98/1384726598.db2.gz LAGLPUKAQUHZJA-BURNTYAHSA-N 3 2 327.516 3.113 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102219 1384726603 /nfs/dbraw/zinc/72/66/03/1384726603.db2.gz LAGLPUKAQUHZJA-BURNTYAHSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102219 1384726611 /nfs/dbraw/zinc/72/66/11/1384726611.db2.gz LAGLPUKAQUHZJA-BURNTYAHSA-N 3 2 327.516 3.113 20 0 EGADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127363 1384736288 /nfs/dbraw/zinc/73/62/88/1384736288.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 3 2 341.543 3.456 20 0 EGADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127363 1384736291 /nfs/dbraw/zinc/73/62/91/1384736291.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127363 1384736294 /nfs/dbraw/zinc/73/62/94/1384736294.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127363 1384736297 /nfs/dbraw/zinc/73/62/97/1384736297.db2.gz IPYOTYDJGJFEHO-YUMYIRISSA-N 3 2 341.543 3.456 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133716 1384739032 /nfs/dbraw/zinc/73/90/32/1384739032.db2.gz UQPSADSWBXHDGV-MLHJIOFPSA-N 2 2 341.490 3.197 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133716 1384739041 /nfs/dbraw/zinc/73/90/41/1384739041.db2.gz UQPSADSWBXHDGV-MLHJIOFPSA-N 2 2 341.490 3.197 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001172243215 1384754915 /nfs/dbraw/zinc/75/49/15/1384754915.db2.gz FJQWOQOVPMQNRD-UHFFFAOYSA-N 2 2 346.393 3.176 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172350616 1384775516 /nfs/dbraw/zinc/77/55/16/1384775516.db2.gz NQYIQECSOCGESA-QIJZPMMNSA-N 2 2 348.531 3.459 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001172350616 1384775519 /nfs/dbraw/zinc/77/55/19/1384775519.db2.gz NQYIQECSOCGESA-QIJZPMMNSA-N 2 2 348.531 3.459 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)CCOC(C)C)CC2)c1 ZINC001172436344 1384791705 /nfs/dbraw/zinc/79/17/05/1384791705.db2.gz ABKLGQMUAADGBM-QGZVFWFLSA-N 2 2 334.504 3.453 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCOC(C)C)CC1 ZINC001172438551 1384791878 /nfs/dbraw/zinc/79/18/78/1384791878.db2.gz SZTZQXVZJQXNFR-QGZVFWFLSA-N 2 2 334.504 3.453 20 0 EGADLP CC(C)OCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172453835 1384795677 /nfs/dbraw/zinc/79/56/77/1384795677.db2.gz ZITBAPIXGWUALQ-SJORKVTESA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172453835 1384795678 /nfs/dbraw/zinc/79/56/78/1384795678.db2.gz ZITBAPIXGWUALQ-SJORKVTESA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001172453835 1384795681 /nfs/dbraw/zinc/79/56/81/1384795681.db2.gz ZITBAPIXGWUALQ-SJORKVTESA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001172453835 1384795683 /nfs/dbraw/zinc/79/56/83/1384795683.db2.gz ZITBAPIXGWUALQ-SJORKVTESA-N 2 2 336.524 3.304 20 0 EGADLP CCCC[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172630267 1384822496 /nfs/dbraw/zinc/82/24/96/1384822496.db2.gz BKAZLIBTUHXHAN-IXDOHACOSA-N 2 2 341.540 3.484 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001172779434 1384850589 /nfs/dbraw/zinc/85/05/89/1384850589.db2.gz FUIHBSAOTKMKTH-SJORKVTESA-N 2 2 327.428 3.303 20 0 EGADLP C[C@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173063606 1384905282 /nfs/dbraw/zinc/90/52/82/1384905282.db2.gz BXUVLQSUQZMHRI-RDJZCZTQSA-N 2 2 348.491 3.308 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CN1C(=O)OC(C)(C)C ZINC001173065405 1384906033 /nfs/dbraw/zinc/90/60/33/1384906033.db2.gz VNSVSHIURURLOZ-ZBFHGGJFSA-N 2 2 344.459 3.212 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173629908 1384992181 /nfs/dbraw/zinc/99/21/81/1384992181.db2.gz CXXMCUWBTMQNHG-HZPDHXFCSA-N 2 2 348.462 3.197 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663218 1384998977 /nfs/dbraw/zinc/99/89/77/1384998977.db2.gz FXTIRJKSHIBPGA-LPHOPBHVSA-N 2 2 336.520 3.447 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663218 1384998980 /nfs/dbraw/zinc/99/89/80/1384998980.db2.gz FXTIRJKSHIBPGA-LPHOPBHVSA-N 2 2 336.520 3.447 20 0 EGADLP c1cc(N2CCOCC2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c[nH+]1 ZINC001174521641 1385116081 /nfs/dbraw/zinc/11/60/81/1385116081.db2.gz AQHDOTYBJRHFSA-UHFFFAOYSA-N 2 2 339.443 3.047 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357056 1385264353 /nfs/dbraw/zinc/26/43/53/1385264353.db2.gz BYXLKJGUHFOXOQ-KZNAEPCWSA-N 2 2 348.535 3.224 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360279 1385265077 /nfs/dbraw/zinc/26/50/77/1385265077.db2.gz ZMRLGFWDUZIMEF-GVDBMIGSSA-N 2 2 348.535 3.224 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175461292 1385299297 /nfs/dbraw/zinc/29/92/97/1385299297.db2.gz MNHXGCAAVHUPRE-CGZBRXJRSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501842 1385313012 /nfs/dbraw/zinc/31/30/12/1385313012.db2.gz GHPUYJALELNJHQ-ROUUACIJSA-N 2 2 342.487 3.299 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC001335968263 1388979539 /nfs/dbraw/zinc/97/95/39/1388979539.db2.gz ZOTRSNCSHRSENC-OAHLLOKOSA-N 2 2 338.521 3.044 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC001335968263 1388979542 /nfs/dbraw/zinc/97/95/42/1388979542.db2.gz ZOTRSNCSHRSENC-OAHLLOKOSA-N 2 2 338.521 3.044 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175639308 1385360403 /nfs/dbraw/zinc/36/04/03/1385360403.db2.gz YGJMFZGUNLVIGA-DLBZAZTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175639308 1385360409 /nfs/dbraw/zinc/36/04/09/1385360409.db2.gz YGJMFZGUNLVIGA-DLBZAZTESA-N 2 2 348.535 3.433 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001317680539 1385389347 /nfs/dbraw/zinc/38/93/47/1385389347.db2.gz DWQVLEDTOCAHBB-HOTGVXAUSA-N 2 2 348.535 3.160 20 0 EGADLP CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001175881859 1385428961 /nfs/dbraw/zinc/42/89/61/1385428961.db2.gz YQDZQXIRSBHHNX-FUHWJXTLSA-N 2 2 342.487 3.368 20 0 EGADLP Cn1c2ccccc2[nH+]c1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176378029 1385569034 /nfs/dbraw/zinc/56/90/34/1385569034.db2.gz BNYMMDXBOCWWTO-UHFFFAOYSA-N 2 2 336.439 3.192 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001176810693 1385710060 /nfs/dbraw/zinc/71/00/60/1385710060.db2.gz NFWASQOFCSPDTR-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318530706 1385739597 /nfs/dbraw/zinc/73/95/97/1385739597.db2.gz QJUNUQJABRMRQZ-XJKSGUPXSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318530706 1385739598 /nfs/dbraw/zinc/73/95/98/1385739598.db2.gz QJUNUQJABRMRQZ-XJKSGUPXSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cn(C)c2ccccc12 ZINC001318541788 1385745526 /nfs/dbraw/zinc/74/55/26/1385745526.db2.gz PHZSPASYRJSKLR-UHFFFAOYSA-N 2 2 345.406 3.249 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001318592100 1385776403 /nfs/dbraw/zinc/77/64/03/1385776403.db2.gz SCLSQXKSJDNOHB-MAUKXSAKSA-N 2 2 342.487 3.321 20 0 EGADLP O=C(NC1(C[NH2+]Cc2ccccc2)CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001318641442 1385810599 /nfs/dbraw/zinc/81/05/99/1385810599.db2.gz CHKAQTKQRRHEFZ-UHFFFAOYSA-N 2 2 348.450 3.395 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC001177354845 1385926719 /nfs/dbraw/zinc/92/67/19/1385926719.db2.gz DMUKKLSWPAMRBE-OAHLLOKOSA-N 2 2 348.878 3.174 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431159 1385953686 /nfs/dbraw/zinc/95/36/86/1385953686.db2.gz MVZRQODQARQMHU-GOSISDBHSA-N 2 2 348.535 3.489 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177467003 1385967368 /nfs/dbraw/zinc/96/73/68/1385967368.db2.gz PNAMVEQZBMPWIK-UHFFFAOYSA-N 2 2 334.508 3.096 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]cn1C ZINC001177468703 1385967905 /nfs/dbraw/zinc/96/79/05/1385967905.db2.gz INHPLESRJINXAH-UHFFFAOYSA-N 2 2 348.535 3.151 20 0 EGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001177510565 1385982853 /nfs/dbraw/zinc/98/28/53/1385982853.db2.gz IZMHLBRLMFHBFW-RTBURBONSA-N 2 2 346.515 3.314 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc(Cl)c1OC ZINC001177693169 1386023658 /nfs/dbraw/zinc/02/36/58/1386023658.db2.gz LCXWRBRQRBFMBK-UHFFFAOYSA-N 2 2 335.835 3.108 20 0 EGADLP CC1CC(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCCC2)C1 ZINC001319363340 1386080900 /nfs/dbraw/zinc/08/09/00/1386080900.db2.gz XXWAIIAFDPFZKH-UHFFFAOYSA-N 2 2 340.471 3.241 20 0 EGADLP CC[C@@H](C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1)OC ZINC001319363426 1386081091 /nfs/dbraw/zinc/08/10/91/1386081091.db2.gz BBCUUJPIDXCUNX-KRWDZBQOSA-N 2 2 347.503 3.064 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC001178326110 1386189136 /nfs/dbraw/zinc/18/91/36/1386189136.db2.gz AAQHWWNQLWUVAI-CQSZACIVSA-N 2 2 348.853 3.309 20 0 EGADLP CC1CCC(C[NH2+]CCCCCCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001178649776 1386269580 /nfs/dbraw/zinc/26/95/80/1386269580.db2.gz ZKCCNPPVBHZCKN-UHFFFAOYSA-N 2 2 348.535 3.435 20 0 EGADLP CC1CCC(C[NH2+]CCCCCCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001178649776 1386269582 /nfs/dbraw/zinc/26/95/82/1386269582.db2.gz ZKCCNPPVBHZCKN-UHFFFAOYSA-N 2 2 348.535 3.435 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178871244 1386335047 /nfs/dbraw/zinc/33/50/47/1386335047.db2.gz KCZPJNRMXQXBJN-OAJJDEHYSA-N 2 2 346.519 3.068 20 0 EGADLP CC[C@H](C)n1nc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1C ZINC001319892015 1386368977 /nfs/dbraw/zinc/36/89/77/1386368977.db2.gz MKOXUZUEBMLRDC-LBPRGKRZSA-N 2 2 338.415 3.304 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141584 1386409362 /nfs/dbraw/zinc/40/93/62/1386409362.db2.gz BYWPQAJQBLZTPS-CSLAMCDYSA-N 2 2 340.471 3.273 20 0 EGADLP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001698658726 1406309527 /nfs/dbraw/zinc/30/95/27/1406309527.db2.gz DVHXDUREALMZAS-XLIONFOSSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1ccc(CCC[NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)cn1 ZINC001321033798 1386790253 /nfs/dbraw/zinc/79/02/53/1386790253.db2.gz XSNUNLCEWJVYFP-UHFFFAOYSA-N 2 2 338.499 3.495 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180452386 1386800897 /nfs/dbraw/zinc/80/08/97/1386800897.db2.gz UHSUFNQKBDLMKA-UHFFFAOYSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC001180477737 1386809283 /nfs/dbraw/zinc/80/92/83/1386809283.db2.gz CUWBVRGCBXAHEH-MRXNPFEDSA-N 2 2 346.450 3.050 20 0 EGADLP CC[N@H+](CCNC1CC[NH+](CCC(C)C)CC1)CCC(F)(F)F ZINC001180835518 1386881423 /nfs/dbraw/zinc/88/14/23/1386881423.db2.gz JVRJZTHDLLABKY-UHFFFAOYSA-N 2 2 337.474 3.361 20 0 EGADLP CC[N@@H+](CCNC1CC[NH+](CCC(C)C)CC1)CCC(F)(F)F ZINC001180835518 1386881426 /nfs/dbraw/zinc/88/14/26/1386881426.db2.gz JVRJZTHDLLABKY-UHFFFAOYSA-N 2 2 337.474 3.361 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309111 1387144311 /nfs/dbraw/zinc/14/43/11/1387144311.db2.gz NAFVUIZTHMWDBO-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309111 1387144314 /nfs/dbraw/zinc/14/43/14/1387144314.db2.gz NAFVUIZTHMWDBO-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP CC1CC[NH+](CCc2nnc(-c3ccc(-n4cc[nH+]c4)cc3)o2)CC1 ZINC001322361064 1387170286 /nfs/dbraw/zinc/17/02/86/1387170286.db2.gz WUTFGAAJKGBJDK-UHFFFAOYSA-N 2 2 337.427 3.197 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C3)ccn12 ZINC001182579585 1387190483 /nfs/dbraw/zinc/19/04/83/1387190483.db2.gz GNLKHZNQGPBKPN-MAUKXSAKSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767812 1387221470 /nfs/dbraw/zinc/22/14/70/1387221470.db2.gz LYTOZWCMHZFCFI-WSTZPKSXSA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767995 1387221729 /nfs/dbraw/zinc/22/17/29/1387221729.db2.gz VATJHXCBLOQBKB-ZCLWYFANSA-N 2 2 346.519 3.265 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2)[nH+]c1C ZINC001330969576 1389581267 /nfs/dbraw/zinc/58/12/67/1389581267.db2.gz IRUSNRYJWSJDQX-ZWKOTPCHSA-N 2 2 338.455 3.268 20 0 EGADLP CN(C)c1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001331669834 1389851436 /nfs/dbraw/zinc/85/14/36/1389851436.db2.gz GNXLLYQZJKSGRN-AWEZNQCLSA-N 2 2 348.441 3.219 20 0 EGADLP CN(C)c1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001331669834 1389851440 /nfs/dbraw/zinc/85/14/40/1389851440.db2.gz GNXLLYQZJKSGRN-AWEZNQCLSA-N 2 2 348.441 3.219 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332845023 1390199442 /nfs/dbraw/zinc/19/94/42/1390199442.db2.gz SJPQGBLLRLBHTR-PMACEKPBSA-N 2 2 331.479 3.401 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332845023 1390199445 /nfs/dbraw/zinc/19/94/45/1390199445.db2.gz SJPQGBLLRLBHTR-PMACEKPBSA-N 2 2 331.479 3.401 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001698767767 1406425981 /nfs/dbraw/zinc/42/59/81/1406425981.db2.gz YFUAPBSACIXOLQ-KGLIPLIRSA-N 2 2 348.516 3.055 20 0 EGADLP [NH3+][C@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1cccc(Cl)c1 ZINC001345430696 1390859887 /nfs/dbraw/zinc/85/98/87/1390859887.db2.gz COLKYHQEKHFDMR-KRWDZBQOSA-N 2 2 344.846 3.364 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001480317315 1392677205 /nfs/dbraw/zinc/67/72/05/1392677205.db2.gz BJZZOINESZQFJF-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001480317315 1392677206 /nfs/dbraw/zinc/67/72/06/1392677206.db2.gz BJZZOINESZQFJF-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001480317315 1392677208 /nfs/dbraw/zinc/67/72/08/1392677208.db2.gz BJZZOINESZQFJF-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001480317315 1392677212 /nfs/dbraw/zinc/67/72/12/1392677212.db2.gz BJZZOINESZQFJF-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480384234 1392728272 /nfs/dbraw/zinc/72/82/72/1392728272.db2.gz VEWSSUYOUFSUCQ-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480384234 1392728275 /nfs/dbraw/zinc/72/82/75/1392728275.db2.gz VEWSSUYOUFSUCQ-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480384232 1392728786 /nfs/dbraw/zinc/72/87/86/1392728786.db2.gz VEWSSUYOUFSUCQ-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480384232 1392728791 /nfs/dbraw/zinc/72/87/91/1392728791.db2.gz VEWSSUYOUFSUCQ-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001481368707 1394208642 /nfs/dbraw/zinc/20/86/42/1394208642.db2.gz MGUAOVPNLJLJCC-KRWDZBQOSA-N 2 2 336.439 3.051 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481877290 1394572546 /nfs/dbraw/zinc/57/25/46/1394572546.db2.gz RRLUKJIQDACWKD-KRWDZBQOSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001690946452 1404854509 /nfs/dbraw/zinc/85/45/09/1404854509.db2.gz AYKPOWVWIXMDQE-INIZCTEOSA-N 2 2 342.487 3.275 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001690946452 1404854515 /nfs/dbraw/zinc/85/45/15/1404854515.db2.gz AYKPOWVWIXMDQE-INIZCTEOSA-N 2 2 342.487 3.275 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001690946452 1404854528 /nfs/dbraw/zinc/85/45/28/1404854528.db2.gz AYKPOWVWIXMDQE-INIZCTEOSA-N 2 2 342.487 3.275 20 0 EGADLP CC(C)c1ccc([C@H](C)[N@@H+](C)CCNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001690946452 1404854535 /nfs/dbraw/zinc/85/45/35/1404854535.db2.gz AYKPOWVWIXMDQE-INIZCTEOSA-N 2 2 342.487 3.275 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001691574380 1405343739 /nfs/dbraw/zinc/34/37/39/1405343739.db2.gz NECDFJMTJHPNOI-HNNXBMFYSA-N 2 2 342.487 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732051643 1428291666 /nfs/dbraw/zinc/29/16/66/1428291666.db2.gz YNXYZNOHQZNTCM-MRXNPFEDSA-N 2 2 342.487 3.441 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732051643 1428291668 /nfs/dbraw/zinc/29/16/68/1428291668.db2.gz YNXYZNOHQZNTCM-MRXNPFEDSA-N 2 2 342.487 3.441 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001732134357 1428380515 /nfs/dbraw/zinc/38/05/15/1428380515.db2.gz PEZFCKOVQPUIMJ-VQIMIIECSA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001732470542 1428598970 /nfs/dbraw/zinc/59/89/70/1428598970.db2.gz UHFVPNUCQHXAIG-SFHVURJKSA-N 2 2 334.508 3.043 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001732478998 1428605362 /nfs/dbraw/zinc/60/53/62/1428605362.db2.gz YHDXDFVOZYUSLT-SFHVURJKSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C ZINC001699804362 1413216398 /nfs/dbraw/zinc/21/63/98/1413216398.db2.gz XBHSQMXTGGATKR-SJORKVTESA-N 2 2 346.519 3.152 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001699804362 1413216402 /nfs/dbraw/zinc/21/64/02/1413216402.db2.gz XBHSQMXTGGATKR-SJORKVTESA-N 2 2 346.519 3.152 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001732965151 1429089530 /nfs/dbraw/zinc/08/95/30/1429089530.db2.gz DCQLJDCNLCIOFV-RHSMWYFYSA-N 2 2 348.878 3.172 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084347 1417630385 /nfs/dbraw/zinc/63/03/85/1417630385.db2.gz BFOMEHJHYQRBKF-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084347 1417630386 /nfs/dbraw/zinc/63/03/86/1417630386.db2.gz BFOMEHJHYQRBKF-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001713169585 1417742526 /nfs/dbraw/zinc/74/25/26/1417742526.db2.gz IXGQBJZPMDMYCL-CAMMJAKZSA-N 2 2 340.471 3.141 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001713276617 1417897022 /nfs/dbraw/zinc/89/70/22/1417897022.db2.gz XVCGLCKDZKRPBS-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001713276617 1417897027 /nfs/dbraw/zinc/89/70/27/1417897027.db2.gz XVCGLCKDZKRPBS-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001713376154 1417985964 /nfs/dbraw/zinc/98/59/64/1417985964.db2.gz ANNAAGPHJUZAJI-RTBURBONSA-N 2 2 346.519 3.261 20 0 EGADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713413862 1418037154 /nfs/dbraw/zinc/03/71/54/1418037154.db2.gz INQDBOFBPFAEAR-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001713794186 1418613456 /nfs/dbraw/zinc/61/34/56/1418613456.db2.gz FNBJDNAQJQORLB-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001713794186 1418613457 /nfs/dbraw/zinc/61/34/57/1418613457.db2.gz FNBJDNAQJQORLB-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713891083 1418687698 /nfs/dbraw/zinc/68/76/98/1418687698.db2.gz DXZAVOKSLDIARB-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713891083 1418687701 /nfs/dbraw/zinc/68/77/01/1418687701.db2.gz DXZAVOKSLDIARB-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713891083 1418687703 /nfs/dbraw/zinc/68/77/03/1418687703.db2.gz DXZAVOKSLDIARB-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713891083 1418687706 /nfs/dbraw/zinc/68/77/06/1418687706.db2.gz DXZAVOKSLDIARB-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001714831718 1419542413 /nfs/dbraw/zinc/54/24/13/1419542413.db2.gz JBVRUBBZNOLHCC-OAHLLOKOSA-N 2 2 342.487 3.021 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001715185798 1419918724 /nfs/dbraw/zinc/91/87/24/1419918724.db2.gz PNXMCGXQVGIJFE-KZNAEPCWSA-N 2 2 348.535 3.052 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1CCCC(C)(C)C ZINC001725632550 1426302110 /nfs/dbraw/zinc/30/21/10/1426302110.db2.gz OMRNKQSNOHWAEY-AEFFLSMTSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1CCCC(C)(C)C ZINC001725632550 1426302118 /nfs/dbraw/zinc/30/21/18/1426302118.db2.gz OMRNKQSNOHWAEY-AEFFLSMTSA-N 2 2 348.535 3.148 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@H]3[C@H](C)[NH2+]CC(C)C)ccn12 ZINC001731293816 1427236161 /nfs/dbraw/zinc/23/61/61/1427236161.db2.gz SEKCPLJSFUKQNT-WMZOPIPTSA-N 2 2 342.487 3.272 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731514916 1427502567 /nfs/dbraw/zinc/50/25/67/1427502567.db2.gz AVDLJDTYOQUHNH-INIZCTEOSA-N 2 2 342.487 3.441 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001731632695 1427686584 /nfs/dbraw/zinc/68/65/84/1427686584.db2.gz CHCBCXPGXKGIJI-MLGOLLRUSA-N 2 2 348.878 3.160 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734335475 1438057607 /nfs/dbraw/zinc/05/76/07/1438057607.db2.gz WITSYOQBHKKMAI-LSDHHAIUSA-N 2 2 330.476 3.295 20 0 EGADLP CC[N@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCC(C)(C)C ZINC001752183440 1440151489 /nfs/dbraw/zinc/15/14/89/1440151489.db2.gz LKUUJICKFKKAER-UHFFFAOYSA-N 2 2 348.535 3.026 20 0 EGADLP CC[N@@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCC(C)(C)C ZINC001752183440 1440151491 /nfs/dbraw/zinc/15/14/91/1440151491.db2.gz LKUUJICKFKKAER-UHFFFAOYSA-N 2 2 348.535 3.026 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752514243 1440190811 /nfs/dbraw/zinc/19/08/11/1440190811.db2.gz PFEVFLRVXGCRCB-QGZVFWFLSA-N 2 2 342.487 3.164 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752514243 1440190812 /nfs/dbraw/zinc/19/08/12/1440190812.db2.gz PFEVFLRVXGCRCB-QGZVFWFLSA-N 2 2 342.487 3.164 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752802337 1440215185 /nfs/dbraw/zinc/21/51/85/1440215185.db2.gz DNOOIILSFRWTRW-MRXNPFEDSA-N 2 2 342.487 3.212 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+][C@@H](C)c2ccccc2C)c[nH+]1 ZINC001753203761 1440338487 /nfs/dbraw/zinc/33/84/87/1440338487.db2.gz YDBYDOJBMZDDNB-KRWDZBQOSA-N 2 2 342.487 3.044 20 0 EGADLP C[C@H](CC(=O)N1CCC([C@@H](C)[NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001753279111 1440346907 /nfs/dbraw/zinc/34/69/07/1440346907.db2.gz ASKPZTFDHWQHMU-IAGOWNOFSA-N 2 2 348.535 3.487 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329502 1440368540 /nfs/dbraw/zinc/36/85/40/1440368540.db2.gz CHQIQHQQQRWRSJ-KBXCAEBGSA-N 2 2 331.504 3.495 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329502 1440368541 /nfs/dbraw/zinc/36/85/41/1440368541.db2.gz CHQIQHQQQRWRSJ-KBXCAEBGSA-N 2 2 331.504 3.495 20 0 EGADLP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366939 1440385679 /nfs/dbraw/zinc/38/56/79/1440385679.db2.gz QFMJXWLCZWLODZ-OSJSJHBBSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366939 1440385680 /nfs/dbraw/zinc/38/56/80/1440385680.db2.gz QFMJXWLCZWLODZ-OSJSJHBBSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366939 1440385681 /nfs/dbraw/zinc/38/56/81/1440385681.db2.gz QFMJXWLCZWLODZ-OSJSJHBBSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C\CC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366939 1440385682 /nfs/dbraw/zinc/38/56/82/1440385682.db2.gz QFMJXWLCZWLODZ-OSJSJHBBSA-N 2 2 346.519 3.115 20 0 EGADLP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001753603116 1440447342 /nfs/dbraw/zinc/44/73/42/1440447342.db2.gz NKHLOTUIZWJWQJ-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001753603116 1440447343 /nfs/dbraw/zinc/44/73/43/1440447343.db2.gz NKHLOTUIZWJWQJ-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001753603116 1440447344 /nfs/dbraw/zinc/44/73/44/1440447344.db2.gz NKHLOTUIZWJWQJ-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001753603116 1440447345 /nfs/dbraw/zinc/44/73/45/1440447345.db2.gz NKHLOTUIZWJWQJ-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC001753743696 1440480065 /nfs/dbraw/zinc/48/00/65/1440480065.db2.gz SDXSBENOJHDXLC-GOSISDBHSA-N 2 2 348.535 3.220 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001753745013 1440480701 /nfs/dbraw/zinc/48/07/01/1440480701.db2.gz AXZHCPDKBMSYHC-LJQANCHMSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001753745013 1440480702 /nfs/dbraw/zinc/48/07/02/1440480702.db2.gz AXZHCPDKBMSYHC-LJQANCHMSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748592 1440481883 /nfs/dbraw/zinc/48/18/83/1440481883.db2.gz RDNKRGOHZBOOTD-BEFAXECRSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748592 1440481884 /nfs/dbraw/zinc/48/18/84/1440481884.db2.gz RDNKRGOHZBOOTD-BEFAXECRSA-N 2 2 346.519 3.043 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001753864630 1440513617 /nfs/dbraw/zinc/51/36/17/1440513617.db2.gz RCGVRMUTEFIRKY-GOSISDBHSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1ccc(C[N@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001753864630 1440513618 /nfs/dbraw/zinc/51/36/18/1440513618.db2.gz RCGVRMUTEFIRKY-GOSISDBHSA-N 2 2 342.487 3.041 20 0 EGADLP CCN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001754057654 1440536557 /nfs/dbraw/zinc/53/65/57/1440536557.db2.gz BXXIFQGXKFNFOH-QRVBRYPASA-N 2 2 343.515 3.495 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001754176511 1440547759 /nfs/dbraw/zinc/54/77/59/1440547759.db2.gz GTFPRBHCLNIANN-ZLKFPQNLSA-N 2 2 340.471 3.166 20 0 EGADLP C[C@@H](C[N@H+](C)CCC1CCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754326337 1440580585 /nfs/dbraw/zinc/58/05/85/1440580585.db2.gz IGNBSZKHYNPMKX-IRXDYDNUSA-N 2 2 334.508 3.241 20 0 EGADLP C[C@@H](C[N@@H+](C)CCC1CCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754326337 1440580586 /nfs/dbraw/zinc/58/05/86/1440580586.db2.gz IGNBSZKHYNPMKX-IRXDYDNUSA-N 2 2 334.508 3.241 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001754630474 1440647521 /nfs/dbraw/zinc/64/75/21/1440647521.db2.gz ZAOJGJJXISQXDS-MSOLQXFVSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@](C)(C[NH2+]CCC(C)(C)C)C2)c[nH+]1 ZINC001754698759 1440667566 /nfs/dbraw/zinc/66/75/66/1440667566.db2.gz SATXCHKJUYOFHB-FQEVSTJZSA-N 2 2 348.535 3.191 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001754709253 1440669775 /nfs/dbraw/zinc/66/97/75/1440669775.db2.gz YOKJCGFVOCSKOW-MJGOQNOKSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001754948938 1440714452 /nfs/dbraw/zinc/71/44/52/1440714452.db2.gz SFBJYFTUANHKIC-HZPDHXFCSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001754948938 1440714453 /nfs/dbraw/zinc/71/44/53/1440714453.db2.gz SFBJYFTUANHKIC-HZPDHXFCSA-N 2 2 342.487 3.211 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755025243 1440728429 /nfs/dbraw/zinc/72/84/29/1440728429.db2.gz QPNGBDBKXKQTOS-SFHVURJKSA-N 2 2 348.535 3.478 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755025243 1440728430 /nfs/dbraw/zinc/72/84/30/1440728430.db2.gz QPNGBDBKXKQTOS-SFHVURJKSA-N 2 2 348.535 3.478 20 0 EGADLP C[C@H](F)CC[N@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755040644 1440737225 /nfs/dbraw/zinc/73/72/25/1440737225.db2.gz BCATZSYNRBEGBX-INIZCTEOSA-N 2 2 346.450 3.014 20 0 EGADLP C[C@H](F)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755040644 1440737226 /nfs/dbraw/zinc/73/72/26/1440737226.db2.gz BCATZSYNRBEGBX-INIZCTEOSA-N 2 2 346.450 3.014 20 0 EGADLP CCCCCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001755109608 1440754094 /nfs/dbraw/zinc/75/40/94/1440754094.db2.gz CRMZPHGITNODCS-KSSFIOAISA-N 2 2 328.460 3.193 20 0 EGADLP CC[N@H+](CCCC1CCC1)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755184942 1440772655 /nfs/dbraw/zinc/77/26/55/1440772655.db2.gz PCMOJEIWBMOMBB-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@@H+](CCCC1CCC1)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755184942 1440772656 /nfs/dbraw/zinc/77/26/56/1440772656.db2.gz PCMOJEIWBMOMBB-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC001755342988 1440825976 /nfs/dbraw/zinc/82/59/76/1440825976.db2.gz OMTAAAFYMNSWRA-LJQANCHMSA-N 2 2 348.535 3.316 20 0 EGADLP O=C(NC1(C[NH2+]C/C=C/Cl)CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001755352466 1440828166 /nfs/dbraw/zinc/82/81/66/1440828166.db2.gz BVHMRWIABZXDTR-XBXARRHUSA-N 2 2 346.862 3.338 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC001755371627 1440837332 /nfs/dbraw/zinc/83/73/32/1440837332.db2.gz RBVOQEDZQVMWQP-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CC1CCCC1 ZINC001755371627 1440837333 /nfs/dbraw/zinc/83/73/33/1440837333.db2.gz RBVOQEDZQVMWQP-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+][C@H]1CCc2ccccc21 ZINC001755595315 1440882589 /nfs/dbraw/zinc/88/25/89/1440882589.db2.gz MJSDOIDDSUROJG-QAPCUYQASA-N 2 2 348.450 3.072 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755826521 1440927488 /nfs/dbraw/zinc/92/74/88/1440927488.db2.gz RVVLYJXJXKXSJT-KRWDZBQOSA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001755827450 1440927712 /nfs/dbraw/zinc/92/77/12/1440927712.db2.gz LSVVYCGUBNQNJS-HOTGVXAUSA-N 2 2 348.535 3.002 20 0 EGADLP CC(C)C[C@@H](C(=O)NC1(C2CC[NH+](C(C)C)CC2)CC1)n1cc[nH+]c1 ZINC001755868999 1440938643 /nfs/dbraw/zinc/93/86/43/1440938643.db2.gz OPUNHWHSSRORRY-SFHVURJKSA-N 2 2 346.519 3.240 20 0 EGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814665 720197008 /nfs/dbraw/zinc/19/70/08/720197008.db2.gz VWXUWSFTNMLQAR-NQIIRXRSSA-N 2 2 341.499 3.144 20 0 EGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814665 720197014 /nfs/dbraw/zinc/19/70/14/720197014.db2.gz VWXUWSFTNMLQAR-NQIIRXRSSA-N 2 2 341.499 3.144 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1N1CCCC1 ZINC001165046805 721964554 /nfs/dbraw/zinc/96/45/54/721964554.db2.gz OYDVKALZEGYASK-GOSISDBHSA-N 2 2 343.519 3.230 20 0 EGADLP CCN(CC)c1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc[nH+]1 ZINC001165050447 721973555 /nfs/dbraw/zinc/97/35/55/721973555.db2.gz XYSXPONIBQOPDR-KRWDZBQOSA-N 2 2 331.508 3.168 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132536 168315519 /nfs/dbraw/zinc/31/55/19/168315519.db2.gz FXPWWSFPFOFSAN-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132536 168315520 /nfs/dbraw/zinc/31/55/20/168315520.db2.gz FXPWWSFPFOFSAN-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132536 168315522 /nfs/dbraw/zinc/31/55/22/168315522.db2.gz FXPWWSFPFOFSAN-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000368132536 168315523 /nfs/dbraw/zinc/31/55/23/168315523.db2.gz FXPWWSFPFOFSAN-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462825 168359996 /nfs/dbraw/zinc/35/99/96/168359996.db2.gz QLNSLHNTSHBPBK-WMZOPIPTSA-N 3 2 339.593 3.055 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000103168955 219265062 /nfs/dbraw/zinc/26/50/62/219265062.db2.gz QDVPLJOHYFTTMF-UHFFFAOYSA-N 2 2 347.484 3.360 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccsc2S1 ZINC000178521061 291146307 /nfs/dbraw/zinc/14/63/07/291146307.db2.gz YVUBXPORVBNQEG-WFASDCNBSA-N 2 2 326.531 3.110 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089513 201173368 /nfs/dbraw/zinc/17/33/68/201173368.db2.gz OWUWVXNMTICTMG-HNNXBMFYSA-N 2 2 339.439 3.086 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274818913 201271879 /nfs/dbraw/zinc/27/18/79/201271879.db2.gz JGHJMHHYWLSAEW-ZIFCJYIRSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274818913 201271882 /nfs/dbraw/zinc/27/18/82/201271882.db2.gz JGHJMHHYWLSAEW-ZIFCJYIRSA-N 2 2 345.531 3.180 20 0 EGADLP C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276654908 201298001 /nfs/dbraw/zinc/29/80/01/201298001.db2.gz UZROHJUUGAUTGC-AEFFLSMTSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276654908 201298005 /nfs/dbraw/zinc/29/80/05/201298005.db2.gz UZROHJUUGAUTGC-AEFFLSMTSA-N 2 2 341.503 3.033 20 0 EGADLP COCCN(C)c1ccc(CNc2cc(C[NH+](C)C)ccc2C)c[nH+]1 ZINC000191441752 239115428 /nfs/dbraw/zinc/11/54/28/239115428.db2.gz GGIJFUXRBXWLDG-UHFFFAOYSA-N 2 2 342.487 3.146 20 0 EGADLP C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277900508 201308127 /nfs/dbraw/zinc/30/81/27/201308127.db2.gz UIVGEHRLIJOHGO-GXTWGEPZSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277900508 201308131 /nfs/dbraw/zinc/30/81/31/201308131.db2.gz UIVGEHRLIJOHGO-GXTWGEPZSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454527 201327961 /nfs/dbraw/zinc/32/79/61/201327961.db2.gz OBEUHJIRTKQTNO-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccnn1C ZINC000282454527 201327962 /nfs/dbraw/zinc/32/79/62/201327962.db2.gz OBEUHJIRTKQTNO-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282692258 201329145 /nfs/dbraw/zinc/32/91/45/201329145.db2.gz KKZFZSZUFYXLPG-YZGWKJHDSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282692258 201329150 /nfs/dbraw/zinc/32/91/50/201329150.db2.gz KKZFZSZUFYXLPG-YZGWKJHDSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC000286860260 201334111 /nfs/dbraw/zinc/33/41/11/201334111.db2.gz AGFAMNHSLVMOLC-KBMXLJTQSA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000286860260 201334114 /nfs/dbraw/zinc/33/41/14/201334114.db2.gz AGFAMNHSLVMOLC-KBMXLJTQSA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC000286860264 201334468 /nfs/dbraw/zinc/33/44/68/201334468.db2.gz AGFAMNHSLVMOLC-VNQPRFMTSA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000286860264 201334471 /nfs/dbraw/zinc/33/44/71/201334471.db2.gz AGFAMNHSLVMOLC-VNQPRFMTSA-N 2 2 330.394 3.206 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292779728 201342817 /nfs/dbraw/zinc/34/28/17/201342817.db2.gz TZMVWJOVBYLCJG-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292779728 201342822 /nfs/dbraw/zinc/34/28/22/201342822.db2.gz TZMVWJOVBYLCJG-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000294107566 201344917 /nfs/dbraw/zinc/34/49/17/201344917.db2.gz COESXAVIRXTFLD-BBRMVZONSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000294107566 201344919 /nfs/dbraw/zinc/34/49/19/201344919.db2.gz COESXAVIRXTFLD-BBRMVZONSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1Cl ZINC000294107566 201344921 /nfs/dbraw/zinc/34/49/21/201344921.db2.gz COESXAVIRXTFLD-BBRMVZONSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000294107566 201344923 /nfs/dbraw/zinc/34/49/23/201344923.db2.gz COESXAVIRXTFLD-BBRMVZONSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1Cl ZINC000295326076 201350036 /nfs/dbraw/zinc/35/00/36/201350036.db2.gz OPLUTGDNKOENNY-YIONKMFJSA-N 2 2 336.863 3.184 20 0 EGADLP COC(=O)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1Cl ZINC000295326076 201350040 /nfs/dbraw/zinc/35/00/40/201350040.db2.gz OPLUTGDNKOENNY-YIONKMFJSA-N 2 2 336.863 3.184 20 0 EGADLP COC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1Cl ZINC000295326076 201350043 /nfs/dbraw/zinc/35/00/43/201350043.db2.gz OPLUTGDNKOENNY-YIONKMFJSA-N 2 2 336.863 3.184 20 0 EGADLP COC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1Cl ZINC000295326076 201350046 /nfs/dbraw/zinc/35/00/46/201350046.db2.gz OPLUTGDNKOENNY-YIONKMFJSA-N 2 2 336.863 3.184 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859635 203249118 /nfs/dbraw/zinc/24/91/18/203249118.db2.gz SVXFSWQHHAIVGO-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859635 203249121 /nfs/dbraw/zinc/24/91/21/203249121.db2.gz SVXFSWQHHAIVGO-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859635 203249124 /nfs/dbraw/zinc/24/91/24/203249124.db2.gz SVXFSWQHHAIVGO-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000072859635 203249125 /nfs/dbraw/zinc/24/91/25/203249125.db2.gz SVXFSWQHHAIVGO-INIZCTEOSA-N 2 2 328.456 3.183 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000072859304 203249572 /nfs/dbraw/zinc/24/95/72/203249572.db2.gz KBCXLCPJZAASSR-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000072859304 203249577 /nfs/dbraw/zinc/24/95/77/203249577.db2.gz KBCXLCPJZAASSR-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859304 203249580 /nfs/dbraw/zinc/24/95/80/203249580.db2.gz KBCXLCPJZAASSR-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859304 203249582 /nfs/dbraw/zinc/24/95/82/203249582.db2.gz KBCXLCPJZAASSR-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000107369041 204234317 /nfs/dbraw/zinc/23/43/17/204234317.db2.gz NPPPYMNBSIVIKU-OAHLLOKOSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000107369041 204234320 /nfs/dbraw/zinc/23/43/20/204234320.db2.gz NPPPYMNBSIVIKU-OAHLLOKOSA-N 2 2 342.314 3.205 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795995 204293317 /nfs/dbraw/zinc/29/33/17/204293317.db2.gz JSDJXGMIOKONBQ-CYBMUJFWSA-N 2 2 332.835 3.201 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000110112063 220016958 /nfs/dbraw/zinc/01/69/58/220016958.db2.gz VLILKWPSPMQKNK-QGZVFWFLSA-N 2 2 325.460 3.182 20 0 EGADLP FC(F)Sc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129326960 205189888 /nfs/dbraw/zinc/18/98/88/205189888.db2.gz DUHXFRABPFCVIU-OAHLLOKOSA-N 2 2 342.455 3.155 20 0 EGADLP FC(F)Sc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129326960 205189892 /nfs/dbraw/zinc/18/98/92/205189892.db2.gz DUHXFRABPFCVIU-OAHLLOKOSA-N 2 2 342.455 3.155 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000129405675 205193338 /nfs/dbraw/zinc/19/33/38/205193338.db2.gz KWJHMGIOZNQNDB-YQVWRLOYSA-N 2 2 340.471 3.208 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@](C)(O)c3ccccc3Cl)n2c1 ZINC000156696590 206095038 /nfs/dbraw/zinc/09/50/38/206095038.db2.gz CIMZAFBSDCNWMS-SFHVURJKSA-N 2 2 329.831 3.293 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158551056 206198746 /nfs/dbraw/zinc/19/87/46/206198746.db2.gz SIRHQDLMMATLOB-PBHICJAKSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158551056 206198750 /nfs/dbraw/zinc/19/87/50/206198750.db2.gz SIRHQDLMMATLOB-PBHICJAKSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158551056 206198754 /nfs/dbraw/zinc/19/87/54/206198754.db2.gz SIRHQDLMMATLOB-PBHICJAKSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)CC[C@@H]21 ZINC000158551056 206198759 /nfs/dbraw/zinc/19/87/59/206198759.db2.gz SIRHQDLMMATLOB-PBHICJAKSA-N 2 2 329.419 3.397 20 0 EGADLP Cc1nc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377337432 169012339 /nfs/dbraw/zinc/01/23/39/169012339.db2.gz MVABWAWBBKCCBR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377337432 169012340 /nfs/dbraw/zinc/01/23/40/169012340.db2.gz MVABWAWBBKCCBR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377337432 169012341 /nfs/dbraw/zinc/01/23/41/169012341.db2.gz MVABWAWBBKCCBR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000377337432 169012342 /nfs/dbraw/zinc/01/23/42/169012342.db2.gz MVABWAWBBKCCBR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000377630391 169051296 /nfs/dbraw/zinc/05/12/96/169051296.db2.gz XCEONIHGGIKXAB-UHFFFAOYSA-N 2 2 340.383 3.076 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000378571045 169140125 /nfs/dbraw/zinc/14/01/25/169140125.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000378571045 169140128 /nfs/dbraw/zinc/14/01/28/169140128.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571045 169140130 /nfs/dbraw/zinc/14/01/30/169140130.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571045 169140133 /nfs/dbraw/zinc/14/01/33/169140133.db2.gz PJSNPHIYMJUUFR-MSEOUXRUSA-N 3 2 341.543 3.359 20 0 EGADLP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000174179377 206995428 /nfs/dbraw/zinc/99/54/28/206995428.db2.gz VNLLQDRNMFBOJY-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP COc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268763504 252213457 /nfs/dbraw/zinc/21/34/57/252213457.db2.gz MMCIWFWRBZZOKG-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268763504 252213462 /nfs/dbraw/zinc/21/34/62/252213462.db2.gz MMCIWFWRBZZOKG-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268792195 252243390 /nfs/dbraw/zinc/24/33/90/252243390.db2.gz DNBNBRPMOWTJPG-NHYWBVRUSA-N 2 2 325.334 3.447 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000268820788 252271102 /nfs/dbraw/zinc/27/11/02/252271102.db2.gz NXOWLEXJWPXKDX-JTDSTZFVSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000268820788 252271107 /nfs/dbraw/zinc/27/11/07/252271107.db2.gz NXOWLEXJWPXKDX-JTDSTZFVSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268809853 252263173 /nfs/dbraw/zinc/26/31/73/252263173.db2.gz KMXKZJUIAKNIGF-MRXNPFEDSA-N 2 2 326.488 3.086 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)ccc1OC(F)F ZINC000268835560 252284174 /nfs/dbraw/zinc/28/41/74/252284174.db2.gz RWQSGVUJKBESJL-XUJVJEKNSA-N 2 2 340.414 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OC(F)F ZINC000268835560 252284177 /nfs/dbraw/zinc/28/41/77/252284177.db2.gz RWQSGVUJKBESJL-XUJVJEKNSA-N 2 2 340.414 3.430 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCCCC[NH3+])n2)C1 ZINC000237504031 141005006 /nfs/dbraw/zinc/00/50/06/141005006.db2.gz GZLNQCYCRGKYKV-AWEZNQCLSA-N 2 2 338.521 3.223 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCCCC[NH3+])n2)C1 ZINC000237504031 141005008 /nfs/dbraw/zinc/00/50/08/141005008.db2.gz GZLNQCYCRGKYKV-AWEZNQCLSA-N 2 2 338.521 3.223 20 0 EGADLP C[C@@H](CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237506825 141005229 /nfs/dbraw/zinc/00/52/29/141005229.db2.gz URJIWEMJYNXVTD-XYJFISCASA-N 2 2 340.471 3.075 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038495 /nfs/dbraw/zinc/03/84/95/141038495.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 3 2 335.561 3.280 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038498 /nfs/dbraw/zinc/03/84/98/141038498.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038500 /nfs/dbraw/zinc/03/85/00/141038500.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000246853438 141038503 /nfs/dbraw/zinc/03/85/03/141038503.db2.gz BPLGYLIYPAFAPQ-LMMKCTJWSA-N 3 2 335.561 3.280 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038579 /nfs/dbraw/zinc/03/85/79/141038579.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 3 2 335.561 3.280 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038582 /nfs/dbraw/zinc/03/85/82/141038582.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038583 /nfs/dbraw/zinc/03/85/83/141038583.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000246853487 141038587 /nfs/dbraw/zinc/03/85/87/141038587.db2.gz BPLGYLIYPAFAPQ-SCTDSRPQSA-N 3 2 335.561 3.280 20 0 EGADLP CCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000342796122 141149368 /nfs/dbraw/zinc/14/93/68/141149368.db2.gz PAFYZOVGXWSDHN-QGZVFWFLSA-N 2 2 335.455 3.449 20 0 EGADLP CCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000342796122 141149369 /nfs/dbraw/zinc/14/93/69/141149369.db2.gz PAFYZOVGXWSDHN-QGZVFWFLSA-N 2 2 335.455 3.449 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000348169881 141243404 /nfs/dbraw/zinc/24/34/04/141243404.db2.gz CNUMWAWILUFWNM-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000354561420 141306366 /nfs/dbraw/zinc/30/63/66/141306366.db2.gz CBJGDZDLBPHREY-QRFRQXIXSA-N 2 2 331.504 3.402 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000172015743 144015181 /nfs/dbraw/zinc/01/51/81/144015181.db2.gz RYRUWBYRIITFKH-AWEZNQCLSA-N 2 2 336.443 3.001 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000172266879 144019038 /nfs/dbraw/zinc/01/90/38/144019038.db2.gz ADHIPIZKUDVHLT-QGZVFWFLSA-N 2 2 344.503 3.081 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000184733813 144098106 /nfs/dbraw/zinc/09/81/06/144098106.db2.gz TZETYUSJOPTZQK-MRXNPFEDSA-N 2 2 335.455 3.265 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000184733813 144098107 /nfs/dbraw/zinc/09/81/07/144098107.db2.gz TZETYUSJOPTZQK-MRXNPFEDSA-N 2 2 335.455 3.265 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000186509894 144135994 /nfs/dbraw/zinc/13/59/94/144135994.db2.gz SBPFPASRIAHJMT-HKUYNNGSSA-N 2 2 331.504 3.231 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000186509894 144135996 /nfs/dbraw/zinc/13/59/96/144135996.db2.gz SBPFPASRIAHJMT-HKUYNNGSSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187171564 144154375 /nfs/dbraw/zinc/15/43/75/144154375.db2.gz JBFKRMPQLBIRLY-JXFKEZNVSA-N 2 2 348.450 3.294 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]12 ZINC000351495046 144269476 /nfs/dbraw/zinc/26/94/76/144269476.db2.gz OWGKUXWLRWGRBN-CGTJXYLNSA-N 2 2 327.497 3.097 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]12 ZINC000351495046 144269477 /nfs/dbraw/zinc/26/94/77/144269477.db2.gz OWGKUXWLRWGRBN-CGTJXYLNSA-N 2 2 327.497 3.097 20 0 EGADLP c1cc2c(s1)CC[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000351861398 144317173 /nfs/dbraw/zinc/31/71/73/144317173.db2.gz ZPALPVOYRGYHRY-UHFFFAOYSA-N 2 2 341.524 3.319 20 0 EGADLP c1cc2c(s1)CC[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000351861398 144317175 /nfs/dbraw/zinc/31/71/75/144317175.db2.gz ZPALPVOYRGYHRY-UHFFFAOYSA-N 2 2 341.524 3.319 20 0 EGADLP Cc1cccn2c(CN3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)c[nH+]c12 ZINC000352287619 144323237 /nfs/dbraw/zinc/32/32/37/144323237.db2.gz PVJQUSKVSNTLSO-KURKYZTESA-N 2 2 326.488 3.480 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]Cc3ccc(F)nc3)CCCCC2)CCO1 ZINC000363764849 144363990 /nfs/dbraw/zinc/36/39/90/144363990.db2.gz CBSDHLKOHIFDCF-UHFFFAOYSA-N 2 2 335.467 3.124 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]Cc3ccc(F)nc3)CCCCC2)CCO1 ZINC000363764849 144363992 /nfs/dbraw/zinc/36/39/92/144363992.db2.gz CBSDHLKOHIFDCF-UHFFFAOYSA-N 2 2 335.467 3.124 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000374496238 144545189 /nfs/dbraw/zinc/54/51/89/144545189.db2.gz LOSCIWUXQHOSLY-MOPGFXCFSA-N 2 2 334.891 3.462 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)CC(C)C ZINC000341211967 155210574 /nfs/dbraw/zinc/21/05/74/155210574.db2.gz JKVYNQKEZQNORU-DLBZAZTESA-N 2 2 349.523 3.055 20 0 EGADLP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(SC)cc1OC ZINC000131684802 286217622 /nfs/dbraw/zinc/21/76/22/286217622.db2.gz WZJGGSKUXOKGGG-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(SC)cc1OC ZINC000131684802 286217623 /nfs/dbraw/zinc/21/76/23/286217623.db2.gz WZJGGSKUXOKGGG-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(SC)cc1OC ZINC000131684802 286217624 /nfs/dbraw/zinc/21/76/24/286217624.db2.gz WZJGGSKUXOKGGG-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(SC)cc1OC ZINC000131684802 286217625 /nfs/dbraw/zinc/21/76/25/286217625.db2.gz WZJGGSKUXOKGGG-AWEZNQCLSA-N 2 2 338.517 3.199 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCO2 ZINC000341489594 155322779 /nfs/dbraw/zinc/32/27/79/155322779.db2.gz XECVNDBMFOXACU-LJQANCHMSA-N 2 2 341.430 3.299 20 0 EGADLP C[NH+](C)CC[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)C(C)(C)C ZINC000116395778 152057252 /nfs/dbraw/zinc/05/72/52/152057252.db2.gz BDZHEXVJYGUJDE-MSOLQXFVSA-N 2 2 349.494 3.101 20 0 EGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)cc1F ZINC000116396524 152057988 /nfs/dbraw/zinc/05/79/88/152057988.db2.gz LAAOXFDOIMVLAL-LRDDRELGSA-N 2 2 341.446 3.248 20 0 EGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)cc1F ZINC000116396526 152058295 /nfs/dbraw/zinc/05/82/95/152058295.db2.gz LAAOXFDOIMVLAL-WBMJQRKESA-N 2 2 341.446 3.248 20 0 EGADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396065 152058552 /nfs/dbraw/zinc/05/85/52/152058552.db2.gz WOJYPDLDDAVJNV-KBXCAEBGSA-N 2 2 347.503 3.172 20 0 EGADLP CCCC[C@@H](CC)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000117246693 152091998 /nfs/dbraw/zinc/09/19/98/152091998.db2.gz BZZNZSKRMLUAER-QGZVFWFLSA-N 2 2 337.552 3.268 20 0 EGADLP CC[C@@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189755728 153094223 /nfs/dbraw/zinc/09/42/23/153094223.db2.gz DIPFUKYNUHDGOI-NEWSRXKRSA-N 2 2 337.552 3.218 20 0 EGADLP CC[C@@H](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189755728 153094225 /nfs/dbraw/zinc/09/42/25/153094225.db2.gz DIPFUKYNUHDGOI-NEWSRXKRSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000190715672 153156633 /nfs/dbraw/zinc/15/66/33/153156633.db2.gz GIJSAPCZQWRLJJ-CALCHBBNSA-N 2 2 332.488 3.064 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCC3CC3)cc2)C[C@H](C)O1 ZINC000190715672 153156636 /nfs/dbraw/zinc/15/66/36/153156636.db2.gz GIJSAPCZQWRLJJ-CALCHBBNSA-N 2 2 332.488 3.064 20 0 EGADLP COc1ccnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1OC ZINC000191078319 153174601 /nfs/dbraw/zinc/17/46/01/153174601.db2.gz KOTPBOBLHVUPSQ-AWEZNQCLSA-N 2 2 338.411 3.135 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840026 153224057 /nfs/dbraw/zinc/22/40/57/153224057.db2.gz XNZZUNQBAKIHQK-MAUKXSAKSA-N 2 2 345.512 3.393 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840026 153224065 /nfs/dbraw/zinc/22/40/65/153224065.db2.gz XNZZUNQBAKIHQK-MAUKXSAKSA-N 2 2 345.512 3.393 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000192122979 153242527 /nfs/dbraw/zinc/24/25/27/153242527.db2.gz MDWJQLSFUDPBEE-IBGZPJMESA-N 2 2 335.455 3.424 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000192122979 153242534 /nfs/dbraw/zinc/24/25/34/153242534.db2.gz MDWJQLSFUDPBEE-IBGZPJMESA-N 2 2 335.455 3.424 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192978985 153269979 /nfs/dbraw/zinc/26/99/79/153269979.db2.gz PSISEJRQDOKJQH-GOOCMWNKSA-N 2 2 339.277 3.173 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192978985 153269984 /nfs/dbraw/zinc/26/99/84/153269984.db2.gz PSISEJRQDOKJQH-GOOCMWNKSA-N 2 2 339.277 3.173 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000193158731 153281305 /nfs/dbraw/zinc/28/13/05/153281305.db2.gz AUISWZYTVULNSC-PXNSSMCTSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000193158731 153281312 /nfs/dbraw/zinc/28/13/12/153281312.db2.gz AUISWZYTVULNSC-PXNSSMCTSA-N 2 2 344.499 3.172 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000303959605 154060999 /nfs/dbraw/zinc/06/09/99/154060999.db2.gz YXCCCAPSRBUVDX-LJQANCHMSA-N 2 2 349.563 3.077 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CC1 ZINC000303959605 154061002 /nfs/dbraw/zinc/06/10/02/154061002.db2.gz YXCCCAPSRBUVDX-LJQANCHMSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1OCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000305128253 154085238 /nfs/dbraw/zinc/08/52/38/154085238.db2.gz JCNPITCPGXSHFM-INIZCTEOSA-N 2 2 337.423 3.094 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000305720524 154111979 /nfs/dbraw/zinc/11/19/79/154111979.db2.gz IFWIOWWRCWFSMO-FPAYPSAMSA-N 2 2 328.456 3.344 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000305720524 154111985 /nfs/dbraw/zinc/11/19/85/154111985.db2.gz IFWIOWWRCWFSMO-FPAYPSAMSA-N 2 2 328.456 3.344 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000321678368 154168374 /nfs/dbraw/zinc/16/83/74/154168374.db2.gz TWUXLTWSTUFZKJ-NWANDNLSSA-N 2 2 337.533 3.263 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000321678368 154168378 /nfs/dbraw/zinc/16/83/78/154168378.db2.gz TWUXLTWSTUFZKJ-NWANDNLSSA-N 2 2 337.533 3.263 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000326441553 154184570 /nfs/dbraw/zinc/18/45/70/154184570.db2.gz WPEIYHNNNRSEOQ-UXHICEINSA-N 2 2 326.488 3.334 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCCC34CCOCC4)c2)c[nH+]1 ZINC000337372211 154315433 /nfs/dbraw/zinc/31/54/33/154315433.db2.gz ZPPOQFYDCYQOTO-IBGZPJMESA-N 2 2 325.456 3.370 20 0 EGADLP CCc1nc(N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)cc(C)[nH+]1 ZINC000339968653 155055602 /nfs/dbraw/zinc/05/56/02/155055602.db2.gz DTTGBPNUJQXQOQ-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP CCc1nc(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc(C)[nH+]1 ZINC000339968653 155055603 /nfs/dbraw/zinc/05/56/03/155055603.db2.gz DTTGBPNUJQXQOQ-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(Cl)c1Cl ZINC000349061320 156338893 /nfs/dbraw/zinc/33/88/93/156338893.db2.gz ISLIJTBRFUYYDR-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(Cl)c1Cl ZINC000349061320 156338898 /nfs/dbraw/zinc/33/88/98/156338898.db2.gz ISLIJTBRFUYYDR-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@H+](C)Cc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000349061320 156338903 /nfs/dbraw/zinc/33/89/03/156338903.db2.gz ISLIJTBRFUYYDR-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@@H+](C)Cc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000349061320 156338908 /nfs/dbraw/zinc/33/89/08/156338908.db2.gz ISLIJTBRFUYYDR-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368586281 157228465 /nfs/dbraw/zinc/22/84/65/157228465.db2.gz XGXZFPMLNOGDAT-VBKZILBWSA-N 2 2 341.430 3.297 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000372817194 157390111 /nfs/dbraw/zinc/39/01/11/157390111.db2.gz YAUSGOQSSNUHLS-LJQANCHMSA-N 2 2 325.456 3.429 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000060627223 161544960 /nfs/dbraw/zinc/54/49/60/161544960.db2.gz PZDZZNWMEGNDBY-UHFFFAOYSA-N 2 2 334.423 3.245 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000109796838 162112792 /nfs/dbraw/zinc/11/27/92/162112792.db2.gz YLWJEEDURLGEMQ-UHFFFAOYSA-N 2 2 348.491 3.167 20 0 EGADLP CCS[C@H](C)c1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000121836678 162248297 /nfs/dbraw/zinc/24/82/97/162248297.db2.gz QOIYRLQEEOSNCO-CYBMUJFWSA-N 2 2 326.510 3.047 20 0 EGADLP C[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000126295374 162299596 /nfs/dbraw/zinc/29/95/96/162299596.db2.gz LMRPAQATQVAEOO-UHFFFAOYSA-N 3 2 335.923 3.236 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248787949 163034239 /nfs/dbraw/zinc/03/42/39/163034239.db2.gz IMMVBWBXCQHIHQ-BTHPGYMESA-N 2 2 345.531 3.474 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000248787949 163034242 /nfs/dbraw/zinc/03/42/42/163034242.db2.gz IMMVBWBXCQHIHQ-BTHPGYMESA-N 2 2 345.531 3.474 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1C ZINC000338331709 163213140 /nfs/dbraw/zinc/21/31/40/163213140.db2.gz WVVVVZHFASGNOI-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nn1C ZINC000338331709 163213142 /nfs/dbraw/zinc/21/31/42/163213142.db2.gz WVVVVZHFASGNOI-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP CC(C)[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1[nH]cc[nH+]1 ZINC000338880711 163372673 /nfs/dbraw/zinc/37/26/73/163372673.db2.gz PCETVJUZLYDPSI-QGZVFWFLSA-N 2 2 335.411 3.097 20 0 EGADLP CC(C)(C)OC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682620 164011710 /nfs/dbraw/zinc/01/17/10/164011710.db2.gz ROHPHSYCLOICRM-QRWLVFNGSA-N 2 2 341.455 3.278 20 0 EGADLP CC(C)(C)OC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682620 164011711 /nfs/dbraw/zinc/01/17/11/164011711.db2.gz ROHPHSYCLOICRM-QRWLVFNGSA-N 2 2 341.455 3.278 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343753543 164027319 /nfs/dbraw/zinc/02/73/19/164027319.db2.gz HSMCKRLUTABYGQ-UHFFFAOYSA-N 2 2 338.879 3.417 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343753543 164027321 /nfs/dbraw/zinc/02/73/21/164027321.db2.gz HSMCKRLUTABYGQ-UHFFFAOYSA-N 2 2 338.879 3.417 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000343924301 164067266 /nfs/dbraw/zinc/06/72/66/164067266.db2.gz HMNDXJLIFDXRND-CYBMUJFWSA-N 2 2 328.378 3.169 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000343940347 164070106 /nfs/dbraw/zinc/07/01/06/164070106.db2.gz SAQAPEJCEMXGQH-DLBZAZTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000343940347 164070108 /nfs/dbraw/zinc/07/01/08/164070108.db2.gz SAQAPEJCEMXGQH-DLBZAZTESA-N 2 2 327.472 3.131 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1-n1ccnn1 ZINC000375843647 287040941 /nfs/dbraw/zinc/04/09/41/287040941.db2.gz YUASJZOYYIBPNI-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP COC1(C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CCC1 ZINC000344319342 164155240 /nfs/dbraw/zinc/15/52/40/164155240.db2.gz BBOZCMFEMFAHPE-UHFFFAOYSA-N 2 2 338.249 3.064 20 0 EGADLP c1cn(-c2csc(C[NH+]3CCC(Oc4ccccn4)CC3)c2)c[nH+]1 ZINC000346133976 164345659 /nfs/dbraw/zinc/34/56/59/164345659.db2.gz CVKOSZPCDOFVOZ-UHFFFAOYSA-N 2 2 340.452 3.372 20 0 EGADLP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346278505 164363972 /nfs/dbraw/zinc/36/39/72/164363972.db2.gz CJQNZMAMOMIGJV-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306456 164367037 /nfs/dbraw/zinc/36/70/37/164367037.db2.gz DSCPYPKZXQVNDR-LPHOPBHVSA-N 2 2 338.455 3.185 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306456 164367039 /nfs/dbraw/zinc/36/70/39/164367039.db2.gz DSCPYPKZXQVNDR-LPHOPBHVSA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306456 164367040 /nfs/dbraw/zinc/36/70/40/164367040.db2.gz DSCPYPKZXQVNDR-LPHOPBHVSA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@@H]21 ZINC000346306456 164367042 /nfs/dbraw/zinc/36/70/42/164367042.db2.gz DSCPYPKZXQVNDR-LPHOPBHVSA-N 2 2 338.455 3.185 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@@H+]1C ZINC000346345674 164372385 /nfs/dbraw/zinc/37/23/85/164372385.db2.gz WZUSVDVKQHMMFR-KDOFPFPSSA-N 2 2 349.906 3.017 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@H+]1C ZINC000346345674 164372386 /nfs/dbraw/zinc/37/23/86/164372386.db2.gz WZUSVDVKQHMMFR-KDOFPFPSSA-N 2 2 349.906 3.017 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748576 165067900 /nfs/dbraw/zinc/06/79/00/165067900.db2.gz QSEPLVKYEPRQMN-CVEARBPZSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748576 165067903 /nfs/dbraw/zinc/06/79/03/165067903.db2.gz QSEPLVKYEPRQMN-CVEARBPZSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748576 165067910 /nfs/dbraw/zinc/06/79/10/165067910.db2.gz QSEPLVKYEPRQMN-CVEARBPZSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748576 165067911 /nfs/dbraw/zinc/06/79/11/165067911.db2.gz QSEPLVKYEPRQMN-CVEARBPZSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351984348 165177457 /nfs/dbraw/zinc/17/74/57/165177457.db2.gz XDXHULNJLDSMJD-BBRMVZONSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351984348 165177458 /nfs/dbraw/zinc/17/74/58/165177458.db2.gz XDXHULNJLDSMJD-BBRMVZONSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351984348 165177460 /nfs/dbraw/zinc/17/74/60/165177460.db2.gz XDXHULNJLDSMJD-BBRMVZONSA-N 2 2 344.421 3.023 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351984348 165177465 /nfs/dbraw/zinc/17/74/65/165177465.db2.gz XDXHULNJLDSMJD-BBRMVZONSA-N 2 2 344.421 3.023 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000352403979 165382796 /nfs/dbraw/zinc/38/27/96/165382796.db2.gz ZXWCQDFIBCDRLO-QGZVFWFLSA-N 2 2 342.487 3.463 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c[nH+]1 ZINC000355142331 166116869 /nfs/dbraw/zinc/11/68/69/166116869.db2.gz XWOUVNJFAYSQNB-PMACEKPBSA-N 2 2 328.431 3.218 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)c2C1 ZINC000355148766 166117904 /nfs/dbraw/zinc/11/79/04/166117904.db2.gz WAUDBWMWZWKCQF-SFHVURJKSA-N 2 2 338.455 3.371 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)c2C1 ZINC000355148766 166117905 /nfs/dbraw/zinc/11/79/05/166117905.db2.gz WAUDBWMWZWKCQF-SFHVURJKSA-N 2 2 338.455 3.371 20 0 EGADLP Cc1cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237207 166143643 /nfs/dbraw/zinc/14/36/43/166143643.db2.gz MECKCKKFIUXQBI-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237207 166143645 /nfs/dbraw/zinc/14/36/45/166143645.db2.gz MECKCKKFIUXQBI-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000355237207 166143648 /nfs/dbraw/zinc/14/36/48/166143648.db2.gz MECKCKKFIUXQBI-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000355237207 166143650 /nfs/dbraw/zinc/14/36/50/166143650.db2.gz MECKCKKFIUXQBI-CTNGQTDRSA-N 2 2 336.483 3.272 20 0 EGADLP Fc1cncc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000355336438 166168002 /nfs/dbraw/zinc/16/80/02/166168002.db2.gz VCMMCZFABVADRS-UHFFFAOYSA-N 2 2 331.357 3.116 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)sc2c1 ZINC000355727495 166291759 /nfs/dbraw/zinc/29/17/59/166291759.db2.gz BHJOFCBTPSFICI-HNNXBMFYSA-N 2 2 345.512 3.469 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)sc2c1 ZINC000355727495 166291762 /nfs/dbraw/zinc/29/17/62/166291762.db2.gz BHJOFCBTPSFICI-HNNXBMFYSA-N 2 2 345.512 3.469 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)sc2c1 ZINC000355727495 166291766 /nfs/dbraw/zinc/29/17/66/166291766.db2.gz BHJOFCBTPSFICI-HNNXBMFYSA-N 2 2 345.512 3.469 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)sc2c1 ZINC000355727495 166291770 /nfs/dbraw/zinc/29/17/70/166291770.db2.gz BHJOFCBTPSFICI-HNNXBMFYSA-N 2 2 345.512 3.469 20 0 EGADLP Cn1c(C[NH2+]Cc2cccc3[nH+]ccn32)nc2cccc(Cl)c21 ZINC000358966165 167021543 /nfs/dbraw/zinc/02/15/43/167021543.db2.gz NSHFVLZAKMRJCR-UHFFFAOYSA-N 2 2 325.803 3.164 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000359276238 167113276 /nfs/dbraw/zinc/11/32/76/167113276.db2.gz DAJQYUBSPXFENL-INIZCTEOSA-N 2 2 329.492 3.267 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1 ZINC000359311462 167122826 /nfs/dbraw/zinc/12/28/26/167122826.db2.gz RPVFSUYRPMCBDY-UHFFFAOYSA-N 2 2 349.837 3.269 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1 ZINC000359311462 167122828 /nfs/dbraw/zinc/12/28/28/167122828.db2.gz RPVFSUYRPMCBDY-UHFFFAOYSA-N 2 2 349.837 3.269 20 0 EGADLP CCCCn1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C)n1 ZINC000359329724 167127459 /nfs/dbraw/zinc/12/74/59/167127459.db2.gz JNPOPFVMEMTNMU-UHFFFAOYSA-N 2 2 327.476 3.145 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582749 167200158 /nfs/dbraw/zinc/20/01/58/167200158.db2.gz GYAANXZNIUZLNX-QAPCUYQASA-N 2 2 332.492 3.351 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582749 167200160 /nfs/dbraw/zinc/20/01/60/167200160.db2.gz GYAANXZNIUZLNX-QAPCUYQASA-N 2 2 332.492 3.351 20 0 EGADLP Cc1nc(NCc2ccccc2C[NH+]2CCCC2)c2c([nH+]1)CCCC2 ZINC000359722005 167213748 /nfs/dbraw/zinc/21/37/48/167213748.db2.gz DANPYTROPSLQSO-UHFFFAOYSA-N 2 2 336.483 3.294 20 0 EGADLP C([NH2+][C@H]1CCCC12CCOCC2)C1([NH+]2CCSCC2)CCCC1 ZINC000367095794 168179143 /nfs/dbraw/zinc/17/91/43/168179143.db2.gz ZMPOWGTXUYOSOP-KRWDZBQOSA-N 2 2 338.561 3.287 20 0 EGADLP Clc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401511 168220700 /nfs/dbraw/zinc/22/07/00/168220700.db2.gz ZPBVFLQQQQLOAU-ZWKOTPCHSA-N 2 2 344.890 3.301 20 0 EGADLP Clc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401511 168220701 /nfs/dbraw/zinc/22/07/01/168220701.db2.gz ZPBVFLQQQQLOAU-ZWKOTPCHSA-N 2 2 344.890 3.301 20 0 EGADLP c1coc([C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459786 168229006 /nfs/dbraw/zinc/22/90/06/168229006.db2.gz WCWCZROIBKVIHX-WOJBJXKFSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459786 168229008 /nfs/dbraw/zinc/22/90/08/168229008.db2.gz WCWCZROIBKVIHX-WOJBJXKFSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459786 168229010 /nfs/dbraw/zinc/22/90/10/168229010.db2.gz WCWCZROIBKVIHX-WOJBJXKFSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459786 168229012 /nfs/dbraw/zinc/22/90/12/168229012.db2.gz WCWCZROIBKVIHX-WOJBJXKFSA-N 2 2 340.467 3.360 20 0 EGADLP Fc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000368051412 168304045 /nfs/dbraw/zinc/30/40/45/168304045.db2.gz MQDMTMWXGFLRCN-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000368051412 168304048 /nfs/dbraw/zinc/30/40/48/168304048.db2.gz MQDMTMWXGFLRCN-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000368051412 168304050 /nfs/dbraw/zinc/30/40/50/168304050.db2.gz MQDMTMWXGFLRCN-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000368051412 168304053 /nfs/dbraw/zinc/30/40/53/168304053.db2.gz MQDMTMWXGFLRCN-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(C)no1 ZINC000677891749 549352190 /nfs/dbraw/zinc/35/21/90/549352190.db2.gz PTEKYTCFJSZRCM-AWEZNQCLSA-N 2 2 329.448 3.073 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(C)no1 ZINC000677891749 549352196 /nfs/dbraw/zinc/35/21/96/549352196.db2.gz PTEKYTCFJSZRCM-AWEZNQCLSA-N 2 2 329.448 3.073 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000132997191 264763977 /nfs/dbraw/zinc/76/39/77/264763977.db2.gz IXYSSSWHBZERAG-IAGOWNOFSA-N 2 2 343.515 3.205 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)c[nH+]1 ZINC000193968795 266079200 /nfs/dbraw/zinc/07/92/00/266079200.db2.gz BSYVCWHVROXOHL-HSALFYBXSA-N 2 2 337.467 3.369 20 0 EGADLP Clc1cc(Cl)cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000194551593 266126108 /nfs/dbraw/zinc/12/61/08/266126108.db2.gz MMEFWQAHJMXLRL-OAHLLOKOSA-N 2 2 343.298 3.190 20 0 EGADLP Clc1cc(Cl)cc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000194551593 266126112 /nfs/dbraw/zinc/12/61/12/266126112.db2.gz MMEFWQAHJMXLRL-OAHLLOKOSA-N 2 2 343.298 3.190 20 0 EGADLP c1cc2c(cccc2C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[nH]1 ZINC000236713389 266211301 /nfs/dbraw/zinc/21/13/01/266211301.db2.gz NQWFXJFEVYYXBT-UHFFFAOYSA-N 2 2 348.494 3.470 20 0 EGADLP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268881529 266285004 /nfs/dbraw/zinc/28/50/04/266285004.db2.gz HZDQZVXITRTRCJ-PKOBYXMFSA-N 2 2 333.520 3.008 20 0 EGADLP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268881529 266285010 /nfs/dbraw/zinc/28/50/10/266285010.db2.gz HZDQZVXITRTRCJ-PKOBYXMFSA-N 2 2 333.520 3.008 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 ZINC000269460057 266298058 /nfs/dbraw/zinc/29/80/58/266298058.db2.gz XVXPZXMYYRKNSG-HNNXBMFYSA-N 2 2 344.528 3.050 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cs1 ZINC000269460057 266298066 /nfs/dbraw/zinc/29/80/66/266298066.db2.gz XVXPZXMYYRKNSG-HNNXBMFYSA-N 2 2 344.528 3.050 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269646443 266333809 /nfs/dbraw/zinc/33/38/09/266333809.db2.gz PJFCCWYFSKSVRJ-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269646443 266333812 /nfs/dbraw/zinc/33/38/12/266333812.db2.gz PJFCCWYFSKSVRJ-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1)C[NH+]1CCOCC1 ZINC000270479387 266516790 /nfs/dbraw/zinc/51/67/90/266516790.db2.gz KLEHRKPJAPPYBU-VXGBXAGGSA-N 2 2 346.302 3.195 20 0 EGADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000274422904 267234238 /nfs/dbraw/zinc/23/42/38/267234238.db2.gz CMFPUFBQVMGHNT-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000274422904 267234240 /nfs/dbraw/zinc/23/42/40/267234240.db2.gz CMFPUFBQVMGHNT-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(O)cc(F)c3)[nH+]c2)CC1 ZINC000274473118 267242387 /nfs/dbraw/zinc/24/23/87/267242387.db2.gz WDIGBHMOJJKWSP-UHFFFAOYSA-N 2 2 344.434 3.069 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000274819271 267291027 /nfs/dbraw/zinc/29/10/27/267291027.db2.gz RTAUSUISFARXNS-FOIQADDNSA-N 2 2 337.467 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000274819271 267291030 /nfs/dbraw/zinc/29/10/30/267291030.db2.gz RTAUSUISFARXNS-FOIQADDNSA-N 2 2 337.467 3.330 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)[C@H](C)C1 ZINC000275279581 267340425 /nfs/dbraw/zinc/34/04/25/267340425.db2.gz DMPNIKAIXOTKDK-QAPCUYQASA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)[C@H](C)C1 ZINC000275279581 267340426 /nfs/dbraw/zinc/34/04/26/267340426.db2.gz DMPNIKAIXOTKDK-QAPCUYQASA-N 2 2 338.467 3.061 20 0 EGADLP CCc1cc(N(C)CC2([NH+](C)C)CCC2)nc(-c2ccncc2)[nH+]1 ZINC000275470275 267366549 /nfs/dbraw/zinc/36/65/49/267366549.db2.gz NXFZBAPJFJWEEJ-UHFFFAOYSA-N 2 2 325.460 3.022 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000278556860 268038560 /nfs/dbraw/zinc/03/85/60/268038560.db2.gz WGIUDQUNDWJOIR-PXNSSMCTSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000278556860 268038561 /nfs/dbraw/zinc/03/85/61/268038561.db2.gz WGIUDQUNDWJOIR-PXNSSMCTSA-N 3 2 327.516 3.113 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000093299464 273775108 /nfs/dbraw/zinc/77/51/08/273775108.db2.gz SWBMTRVHMMGTHP-OAHLLOKOSA-N 2 2 341.455 3.189 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000360046178 274135741 /nfs/dbraw/zinc/13/57/41/274135741.db2.gz OUXNSKOEUVJYIZ-LJQANCHMSA-N 2 2 325.456 3.438 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4occc43)[nH+]c2)C1 ZINC000278696478 275266464 /nfs/dbraw/zinc/26/64/64/275266464.db2.gz KUQMTOVDMOQSPM-NVXWUHKLSA-N 2 2 326.444 3.304 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000278828078 275278632 /nfs/dbraw/zinc/27/86/32/275278632.db2.gz CKHSJDKFEGANJR-LJQANCHMSA-N 2 2 333.476 3.169 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000280048763 275396991 /nfs/dbraw/zinc/39/69/91/275396991.db2.gz XJAXLXBEHGVFCK-JMLXPOELSA-N 2 2 332.488 3.245 20 0 EGADLP Cc1noc(C2CCC([NH2+]Cc3ccccc3-n3cc[nH+]c3)CC2)n1 ZINC000281081429 275520281 /nfs/dbraw/zinc/52/02/81/275520281.db2.gz UNDDSHDRCWOSIU-UHFFFAOYSA-N 2 2 337.427 3.380 20 0 EGADLP COc1ccncc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000286805483 276045075 /nfs/dbraw/zinc/04/50/75/276045075.db2.gz JECMEGUYQITVNL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccncc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000286805483 276045078 /nfs/dbraw/zinc/04/50/78/276045078.db2.gz JECMEGUYQITVNL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccncc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000286805483 276045079 /nfs/dbraw/zinc/04/50/79/276045079.db2.gz JECMEGUYQITVNL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccncc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000286805483 276045082 /nfs/dbraw/zinc/04/50/82/276045082.db2.gz JECMEGUYQITVNL-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000287792496 276157616 /nfs/dbraw/zinc/15/76/16/276157616.db2.gz SWGUXHKCKLHHHC-FZMZJTMJSA-N 2 2 327.350 3.195 20 0 EGADLP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)CC1 ZINC000114709796 276198977 /nfs/dbraw/zinc/19/89/77/276198977.db2.gz WRROMKITUJVMTQ-MRXNPFEDSA-N 2 2 344.890 3.104 20 0 EGADLP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)CC1 ZINC000114709796 276198978 /nfs/dbraw/zinc/19/89/78/276198978.db2.gz WRROMKITUJVMTQ-MRXNPFEDSA-N 2 2 344.890 3.104 20 0 EGADLP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)CC1 ZINC000114709797 276202001 /nfs/dbraw/zinc/20/20/01/276202001.db2.gz WRROMKITUJVMTQ-INIZCTEOSA-N 2 2 344.890 3.104 20 0 EGADLP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)CC1 ZINC000114709797 276202002 /nfs/dbraw/zinc/20/20/02/276202002.db2.gz WRROMKITUJVMTQ-INIZCTEOSA-N 2 2 344.890 3.104 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1O ZINC000288473142 276217678 /nfs/dbraw/zinc/21/76/78/276217678.db2.gz PDNJDTFNWYCKNZ-QAPCUYQASA-N 2 2 326.440 3.153 20 0 EGADLP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000289185325 276301486 /nfs/dbraw/zinc/30/14/86/276301486.db2.gz IPRFUYFCGDDGOO-GOSISDBHSA-N 2 2 345.487 3.115 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000289259589 276312427 /nfs/dbraw/zinc/31/24/27/276312427.db2.gz ODZQQGWNMGCBNL-SCTDSRPQSA-N 2 2 341.503 3.242 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000289259589 276312428 /nfs/dbraw/zinc/31/24/28/276312428.db2.gz ODZQQGWNMGCBNL-SCTDSRPQSA-N 2 2 341.503 3.242 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289272013 276314109 /nfs/dbraw/zinc/31/41/09/276314109.db2.gz PHJGTCHGMBNCTR-AEFFLSMTSA-N 2 2 327.476 3.138 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000289272013 276314111 /nfs/dbraw/zinc/31/41/11/276314111.db2.gz PHJGTCHGMBNCTR-AEFFLSMTSA-N 2 2 327.476 3.138 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000289350442 276326046 /nfs/dbraw/zinc/32/60/46/276326046.db2.gz XYIVHMOVAKBDRU-SJORKVTESA-N 2 2 345.487 3.112 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000289350442 276326048 /nfs/dbraw/zinc/32/60/48/276326048.db2.gz XYIVHMOVAKBDRU-SJORKVTESA-N 2 2 345.487 3.112 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000289350839 276326301 /nfs/dbraw/zinc/32/63/01/276326301.db2.gz XJYFVEPEZPZGKD-LEWJYISDSA-N 2 2 340.467 3.147 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000289350839 276326302 /nfs/dbraw/zinc/32/63/02/276326302.db2.gz XJYFVEPEZPZGKD-LEWJYISDSA-N 2 2 340.467 3.147 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccccn1 ZINC000289381409 276330471 /nfs/dbraw/zinc/33/04/71/276330471.db2.gz CNRNOMNHPHFJAB-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccccn1 ZINC000289381409 276330473 /nfs/dbraw/zinc/33/04/73/276330473.db2.gz CNRNOMNHPHFJAB-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387868 276331562 /nfs/dbraw/zinc/33/15/62/276331562.db2.gz QNXVYLDRTDQTAE-PXNSSMCTSA-N 2 2 327.472 3.150 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387868 276331564 /nfs/dbraw/zinc/33/15/64/276331564.db2.gz QNXVYLDRTDQTAE-PXNSSMCTSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387868 276331565 /nfs/dbraw/zinc/33/15/65/276331565.db2.gz QNXVYLDRTDQTAE-PXNSSMCTSA-N 2 2 327.472 3.150 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1)C1CC1 ZINC000289387868 276331567 /nfs/dbraw/zinc/33/15/67/276331567.db2.gz QNXVYLDRTDQTAE-PXNSSMCTSA-N 2 2 327.472 3.150 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000289514744 276351021 /nfs/dbraw/zinc/35/10/21/276351021.db2.gz FQVWJSJVYLSNOK-UHFFFAOYSA-N 2 2 344.890 3.189 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000289576238 276360411 /nfs/dbraw/zinc/36/04/11/276360411.db2.gz AEMOQPFZHZZEES-QZTJIDSGSA-N 2 2 325.412 3.447 20 0 EGADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3C)nn2)c1 ZINC000289760448 276389624 /nfs/dbraw/zinc/38/96/24/276389624.db2.gz OLJPALWHWBRSIC-UHFFFAOYSA-N 2 2 349.482 3.317 20 0 EGADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3C)nn2)c1 ZINC000289760448 276389625 /nfs/dbraw/zinc/38/96/25/276389625.db2.gz OLJPALWHWBRSIC-UHFFFAOYSA-N 2 2 349.482 3.317 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)n1-c1ccccc1 ZINC000289934812 276421731 /nfs/dbraw/zinc/42/17/31/276421731.db2.gz TZWIGMGROGVIBK-YADHBBJMSA-N 2 2 347.462 3.437 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000290035002 276437733 /nfs/dbraw/zinc/43/77/33/276437733.db2.gz SDDQOAPIPNHIDV-GJZGRUSLSA-N 2 2 326.444 3.089 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[NH+]2CCCC2)cc1 ZINC000290912868 276559799 /nfs/dbraw/zinc/55/97/99/276559799.db2.gz POVRBLUMUKBGLR-GOSISDBHSA-N 2 2 335.455 3.193 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011367 277145511 /nfs/dbraw/zinc/14/55/11/277145511.db2.gz WRCKVCWWXHWSEN-DNVCBOLYSA-N 2 2 333.907 3.466 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011367 277145513 /nfs/dbraw/zinc/14/55/13/277145513.db2.gz WRCKVCWWXHWSEN-DNVCBOLYSA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011367 277145514 /nfs/dbraw/zinc/14/55/14/277145514.db2.gz WRCKVCWWXHWSEN-DNVCBOLYSA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011367 277145515 /nfs/dbraw/zinc/14/55/15/277145515.db2.gz WRCKVCWWXHWSEN-DNVCBOLYSA-N 2 2 333.907 3.466 20 0 EGADLP Cc1ccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccc(F)cc3)n2c1 ZINC000349064130 281168263 /nfs/dbraw/zinc/16/82/63/281168263.db2.gz UBMNROANHNSNIZ-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000268873602 290036572 /nfs/dbraw/zinc/03/65/72/290036572.db2.gz GOGRUIKKRRLBMH-GDBMZVCRSA-N 2 2 339.936 3.102 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000268873602 290036575 /nfs/dbraw/zinc/03/65/75/290036575.db2.gz GOGRUIKKRRLBMH-GDBMZVCRSA-N 2 2 339.936 3.102 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000353240461 295256611 /nfs/dbraw/zinc/25/66/11/295256611.db2.gz ZFKYPYWRKJFLIH-DNVCBOLYSA-N 2 2 332.488 3.118 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000414048206 309057715 /nfs/dbraw/zinc/05/77/15/309057715.db2.gz DJLJZXYPYRZDJG-PXNSSMCTSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)cn1 ZINC000414058909 309058199 /nfs/dbraw/zinc/05/81/99/309058199.db2.gz IAWCWNGEHXKRJO-OAHLLOKOSA-N 2 2 338.455 3.359 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(F)(F)F ZINC000414284674 309070575 /nfs/dbraw/zinc/07/05/75/309070575.db2.gz QWFKTAHTFKVBQS-DZKIICNBSA-N 2 2 329.410 3.470 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(F)(F)F ZINC000414284674 309070576 /nfs/dbraw/zinc/07/05/76/309070576.db2.gz QWFKTAHTFKVBQS-DZKIICNBSA-N 2 2 329.410 3.470 20 0 EGADLP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000414286628 309070695 /nfs/dbraw/zinc/07/06/95/309070695.db2.gz JKPHVGWEQLSWIQ-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000414294428 309071166 /nfs/dbraw/zinc/07/11/66/309071166.db2.gz CGWUZPYCECOLJA-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1nc(-c2ccccc2)cs1 ZINC000414336452 309073701 /nfs/dbraw/zinc/07/37/01/309073701.db2.gz JXZVWAKVOOBZQK-ZDUSSCGKSA-N 2 2 341.484 3.460 20 0 EGADLP Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414361023 309075242 /nfs/dbraw/zinc/07/52/42/309075242.db2.gz PAOCGMLSAYQLHG-MJGOQNOKSA-N 2 2 342.487 3.274 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)nn1 ZINC000414391548 309077314 /nfs/dbraw/zinc/07/73/14/309077314.db2.gz LCMZBPXMFZQMKC-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)nn1 ZINC000414391548 309077315 /nfs/dbraw/zinc/07/73/15/309077315.db2.gz LCMZBPXMFZQMKC-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000293040439 308092984 /nfs/dbraw/zinc/09/29/84/308092984.db2.gz RBWJQKCYXDTHED-UHFFFAOYSA-N 2 2 347.484 3.026 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047074 308093644 /nfs/dbraw/zinc/09/36/44/308093644.db2.gz SUJSVMUAHGZHTD-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047074 308093646 /nfs/dbraw/zinc/09/36/46/308093646.db2.gz SUJSVMUAHGZHTD-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000293047074 308093648 /nfs/dbraw/zinc/09/36/48/308093648.db2.gz SUJSVMUAHGZHTD-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000293047074 308093649 /nfs/dbraw/zinc/09/36/49/308093649.db2.gz SUJSVMUAHGZHTD-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087776 308098098 /nfs/dbraw/zinc/09/80/98/308098098.db2.gz WSZUXBBHGRUGHE-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087776 308098100 /nfs/dbraw/zinc/09/81/00/308098100.db2.gz WSZUXBBHGRUGHE-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293087776 308098102 /nfs/dbraw/zinc/09/81/02/308098102.db2.gz WSZUXBBHGRUGHE-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087776 308098103 /nfs/dbraw/zinc/09/81/03/308098103.db2.gz WSZUXBBHGRUGHE-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc([C@H](C[NH2+]Cc2cccc3[nH+]ccn32)N(C)C)cc1 ZINC000293262658 308115137 /nfs/dbraw/zinc/11/51/37/308115137.db2.gz BLYGDTUNQCSZOT-SFHVURJKSA-N 2 2 340.496 3.449 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1F ZINC000294317761 308210078 /nfs/dbraw/zinc/21/00/78/308210078.db2.gz QVKYZCBMCYPGTH-INIZCTEOSA-N 2 2 346.421 3.325 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1F ZINC000294317761 308210079 /nfs/dbraw/zinc/21/00/79/308210079.db2.gz QVKYZCBMCYPGTH-INIZCTEOSA-N 2 2 346.421 3.325 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000294658829 308243056 /nfs/dbraw/zinc/24/30/56/308243056.db2.gz AEYLOEBLFBYQBS-LSDHHAIUSA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000294658829 308243058 /nfs/dbraw/zinc/24/30/58/308243058.db2.gz AEYLOEBLFBYQBS-LSDHHAIUSA-N 3 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000294658829 308243060 /nfs/dbraw/zinc/24/30/60/308243060.db2.gz AEYLOEBLFBYQBS-LSDHHAIUSA-N 2 2 330.863 3.242 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000294658829 308243061 /nfs/dbraw/zinc/24/30/61/308243061.db2.gz AEYLOEBLFBYQBS-LSDHHAIUSA-N 2 2 330.863 3.242 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CSC[C@@H]1C ZINC000294889459 308268165 /nfs/dbraw/zinc/26/81/65/308268165.db2.gz RGGRLGLGYKONGI-WMLDXEAASA-N 2 2 335.517 3.001 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000295939173 308376626 /nfs/dbraw/zinc/37/66/26/308376626.db2.gz KUEHIMVOCWYIQI-WMZOPIPTSA-N 2 2 342.487 3.399 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663969 309094389 /nfs/dbraw/zinc/09/43/89/309094389.db2.gz SMYIMNBNBLWJNJ-GXTWGEPZSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663969 309094390 /nfs/dbraw/zinc/09/43/90/309094390.db2.gz SMYIMNBNBLWJNJ-GXTWGEPZSA-N 2 2 346.393 3.196 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414738025 309098137 /nfs/dbraw/zinc/09/81/37/309098137.db2.gz AXLVZWAIOMQHCV-NXHRZFHOSA-N 3 2 326.488 3.197 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414738025 309098138 /nfs/dbraw/zinc/09/81/38/309098138.db2.gz AXLVZWAIOMQHCV-NXHRZFHOSA-N 3 2 326.488 3.197 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)nn1C ZINC000297438286 308534002 /nfs/dbraw/zinc/53/40/02/308534002.db2.gz VXZTVRQZJAECBC-CYBMUJFWSA-N 2 2 329.835 3.418 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414788684 309101343 /nfs/dbraw/zinc/10/13/43/309101343.db2.gz DTFKYCMKJZSSOH-GOSISDBHSA-N 2 2 328.504 3.302 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414789185 309101523 /nfs/dbraw/zinc/10/15/23/309101523.db2.gz XVRFFFDQBCVDJM-AWEZNQCLSA-N 2 2 346.368 3.032 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414789185 309101524 /nfs/dbraw/zinc/10/15/24/309101524.db2.gz XVRFFFDQBCVDJM-AWEZNQCLSA-N 2 2 346.368 3.032 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)no1 ZINC000298283642 308600375 /nfs/dbraw/zinc/60/03/75/308600375.db2.gz HAYORIHYSVDYHT-UHFFFAOYSA-N 2 2 343.471 3.487 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000298345089 308605453 /nfs/dbraw/zinc/60/54/53/308605453.db2.gz JJTLQOXIMDLSKF-UHFFFAOYSA-N 3 2 327.516 3.176 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414797802 309102103 /nfs/dbraw/zinc/10/21/03/309102103.db2.gz POYHXQHEARFVLU-SFHVURJKSA-N 2 2 326.488 3.298 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)C1CCCCC1 ZINC000414832363 309104447 /nfs/dbraw/zinc/10/44/47/309104447.db2.gz DKAYHMCUZRRWIX-ZDUSSCGKSA-N 2 2 342.386 3.014 20 0 EGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414832119 309104551 /nfs/dbraw/zinc/10/45/51/309104551.db2.gz DTQCCCOPKMIAIF-LBPRGKRZSA-N 2 2 339.892 3.321 20 0 EGADLP Fc1ccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301062290 308686852 /nfs/dbraw/zinc/68/68/52/308686852.db2.gz GSEQTFUDQYBKDG-SFHVURJKSA-N 2 2 340.402 3.187 20 0 EGADLP Cc1nc(NCc2ccc(C[NH+](C)C)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302069664 308727850 /nfs/dbraw/zinc/72/78/50/308727850.db2.gz DTWAEEXSZSECJJ-UHFFFAOYSA-N 2 2 328.435 3.477 20 0 EGADLP COCC[NH+]1CCC(Nc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302882119 308749333 /nfs/dbraw/zinc/74/93/33/308749333.db2.gz INCCHWVEFUJCKY-UHFFFAOYSA-N 2 2 334.508 3.420 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000414903332 309108390 /nfs/dbraw/zinc/10/83/90/309108390.db2.gz IFYPFLIDYFQZQX-IBGZPJMESA-N 3 2 335.923 3.284 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000414950681 309111001 /nfs/dbraw/zinc/11/10/01/309111001.db2.gz GHIBRSWUTIZYBJ-OAHLLOKOSA-N 2 2 328.456 3.458 20 0 EGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000415004657 309113709 /nfs/dbraw/zinc/11/37/09/309113709.db2.gz YLZZKQGCSZISGF-ZVXXOIICSA-N 3 2 347.934 3.410 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)sc2c1 ZINC000415039505 309115929 /nfs/dbraw/zinc/11/59/29/309115929.db2.gz IZHURWYHGSCZRN-BBRMVZONSA-N 2 2 331.485 3.269 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)sc2c1 ZINC000415039505 309115930 /nfs/dbraw/zinc/11/59/30/309115930.db2.gz IZHURWYHGSCZRN-BBRMVZONSA-N 2 2 331.485 3.269 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415075810 309118448 /nfs/dbraw/zinc/11/84/48/309118448.db2.gz AKGOBYIYHFOOCF-AAEUAGOBSA-N 2 2 329.307 3.271 20 0 EGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415077895 309118739 /nfs/dbraw/zinc/11/87/39/309118739.db2.gz FWELFMKHQMCZEH-QUCCMNQESA-N 2 2 328.431 3.460 20 0 EGADLP C[C@H](C[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c(C[NH+]2CCOCC2)c1 ZINC000415114292 309121273 /nfs/dbraw/zinc/12/12/73/309121273.db2.gz XIJGZZOKDPWDHK-GDBMZVCRSA-N 2 2 337.895 3.115 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@H]1C[NH3+] ZINC000415122741 309121955 /nfs/dbraw/zinc/12/19/55/309121955.db2.gz IOJWXYJVVWWKIX-NWDGAFQWSA-N 2 2 340.393 3.009 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@H]1C[NH3+] ZINC000415122741 309121956 /nfs/dbraw/zinc/12/19/56/309121956.db2.gz IOJWXYJVVWWKIX-NWDGAFQWSA-N 2 2 340.393 3.009 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCCC[NH2+]C)c1 ZINC000415296283 309130254 /nfs/dbraw/zinc/13/02/54/309130254.db2.gz RXWYTWWQDNXBFJ-UHFFFAOYSA-N 2 2 329.448 3.081 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H](C)C[NH3+])c1 ZINC000415298839 309130423 /nfs/dbraw/zinc/13/04/23/309130423.db2.gz XKIAPPMQRLRIKE-AWEZNQCLSA-N 2 2 329.448 3.067 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417114639 309193649 /nfs/dbraw/zinc/19/36/49/309193649.db2.gz GILAXPZOSRTMBO-MRXNPFEDSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417114639 309193650 /nfs/dbraw/zinc/19/36/50/309193650.db2.gz GILAXPZOSRTMBO-MRXNPFEDSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784331 309222019 /nfs/dbraw/zinc/22/20/19/309222019.db2.gz CEXJBXHTSNBFLF-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784331 309222020 /nfs/dbraw/zinc/22/20/20/309222020.db2.gz CEXJBXHTSNBFLF-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784331 309222021 /nfs/dbraw/zinc/22/20/21/309222021.db2.gz CEXJBXHTSNBFLF-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)n(C)n1 ZINC000417784331 309222022 /nfs/dbraw/zinc/22/20/22/309222022.db2.gz CEXJBXHTSNBFLF-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2COC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000417930465 309228734 /nfs/dbraw/zinc/22/87/34/309228734.db2.gz UJADVINFFAVRQN-SJLPKXTDSA-N 2 2 332.488 3.044 20 0 EGADLP CCN(C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000419257661 309262468 /nfs/dbraw/zinc/26/24/68/309262468.db2.gz AOCQWKGEQDXMMO-INIZCTEOSA-N 2 2 329.488 3.035 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1C ZINC000419299306 309263675 /nfs/dbraw/zinc/26/36/75/309263675.db2.gz YHTSJLATQUONMR-MRXNPFEDSA-N 2 2 329.488 3.237 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1Cl ZINC000419299812 309263881 /nfs/dbraw/zinc/26/38/81/309263881.db2.gz ZQQQVIKGYBKYQW-ZDUSSCGKSA-N 2 2 335.879 3.274 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000420298294 309280163 /nfs/dbraw/zinc/28/01/63/309280163.db2.gz ZVJJUUKEMYZDCQ-APWZRJJASA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000420298294 309280164 /nfs/dbraw/zinc/28/01/64/309280164.db2.gz ZVJJUUKEMYZDCQ-APWZRJJASA-N 2 2 349.478 3.119 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]12 ZINC000420298931 309280246 /nfs/dbraw/zinc/28/02/46/309280246.db2.gz AGRVLJYPKWHKGM-JTNHKYCSSA-N 2 2 335.423 3.257 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]12 ZINC000420298931 309280247 /nfs/dbraw/zinc/28/02/47/309280247.db2.gz AGRVLJYPKWHKGM-JTNHKYCSSA-N 2 2 335.423 3.257 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]12 ZINC000420298930 309280333 /nfs/dbraw/zinc/28/03/33/309280333.db2.gz AGRVLJYPKWHKGM-COPLHBTASA-N 2 2 335.423 3.257 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@H]12 ZINC000420298930 309280334 /nfs/dbraw/zinc/28/03/34/309280334.db2.gz AGRVLJYPKWHKGM-COPLHBTASA-N 2 2 335.423 3.257 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301483 309280401 /nfs/dbraw/zinc/28/04/01/309280401.db2.gz FBWQPGDCPLIRFK-VQIMIIECSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420301483 309280402 /nfs/dbraw/zinc/28/04/02/309280402.db2.gz FBWQPGDCPLIRFK-VQIMIIECSA-N 2 2 349.478 3.119 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1ccc(C)nc1C)C[C@@H]1CC[NH2+]C1 ZINC000420311158 309281219 /nfs/dbraw/zinc/28/12/19/309281219.db2.gz NJQZUSHJWXSCDS-MRXNPFEDSA-N 2 2 330.501 3.075 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1ccc(C)nc1C)C[C@@H]1CC[NH2+]C1 ZINC000420311158 309281220 /nfs/dbraw/zinc/28/12/20/309281220.db2.gz NJQZUSHJWXSCDS-MRXNPFEDSA-N 2 2 330.501 3.075 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000420313023 309281254 /nfs/dbraw/zinc/28/12/54/309281254.db2.gz TVCHKINPAAZYDC-OAHLLOKOSA-N 2 2 339.439 3.277 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327862 309282687 /nfs/dbraw/zinc/28/26/87/309282687.db2.gz ZGZZVDCFKCVPDY-VCBZYWHSSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000420327862 309282688 /nfs/dbraw/zinc/28/26/88/309282688.db2.gz ZGZZVDCFKCVPDY-VCBZYWHSSA-N 2 2 341.430 3.175 20 0 EGADLP CC(C)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCCc2cccnc21 ZINC000420372146 309284730 /nfs/dbraw/zinc/28/47/30/309284730.db2.gz LDXMDGIKGDUKCB-OAHLLOKOSA-N 2 2 343.475 3.194 20 0 EGADLP CC(C)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCCc2cccnc21 ZINC000420372146 309284731 /nfs/dbraw/zinc/28/47/31/309284731.db2.gz LDXMDGIKGDUKCB-OAHLLOKOSA-N 2 2 343.475 3.194 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420401841 309286478 /nfs/dbraw/zinc/28/64/78/309286478.db2.gz JOCMYXAXRAOFCZ-KBPBESRZSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000420401841 309286479 /nfs/dbraw/zinc/28/64/79/309286479.db2.gz JOCMYXAXRAOFCZ-KBPBESRZSA-N 2 2 331.485 3.235 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000420410698 309286900 /nfs/dbraw/zinc/28/69/00/309286900.db2.gz RFEFRMYZFOMGSC-VHDGCEQUSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000420410698 309286901 /nfs/dbraw/zinc/28/69/01/309286901.db2.gz RFEFRMYZFOMGSC-VHDGCEQUSA-N 2 2 337.895 3.201 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](CC)O1 ZINC000420958807 309304274 /nfs/dbraw/zinc/30/42/74/309304274.db2.gz PMFNULBXSHHMJM-NJYVYQBISA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](CC)O1 ZINC000420958807 309304275 /nfs/dbraw/zinc/30/42/75/309304275.db2.gz PMFNULBXSHHMJM-NJYVYQBISA-N 2 2 346.515 3.167 20 0 EGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCOC(C)(C)C1 ZINC000420957649 309304294 /nfs/dbraw/zinc/30/42/94/309304294.db2.gz DDQHRMUAUKMOCG-FQEVSTJZSA-N 2 2 346.515 3.298 20 0 EGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCOC(C)(C)C1 ZINC000420957649 309304295 /nfs/dbraw/zinc/30/42/95/309304295.db2.gz DDQHRMUAUKMOCG-FQEVSTJZSA-N 2 2 346.515 3.298 20 0 EGADLP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2CCC[C@H]2O1 ZINC000420959774 309304404 /nfs/dbraw/zinc/30/44/04/309304404.db2.gz GYQHOJNKEPSDKM-WOJBJXKFSA-N 2 2 344.499 3.051 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2CCC[C@H]2O1 ZINC000420959774 309304405 /nfs/dbraw/zinc/30/44/05/309304405.db2.gz GYQHOJNKEPSDKM-WOJBJXKFSA-N 2 2 344.499 3.051 20 0 EGADLP CSC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420979841 309305785 /nfs/dbraw/zinc/30/57/85/309305785.db2.gz VOWBGGUENMLIFA-IBGZPJMESA-N 2 2 334.529 3.094 20 0 EGADLP CSC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420979841 309305786 /nfs/dbraw/zinc/30/57/86/309305786.db2.gz VOWBGGUENMLIFA-IBGZPJMESA-N 2 2 334.529 3.094 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3csc(C4CC4)n3)CC2)CC1 ZINC000420985561 309305987 /nfs/dbraw/zinc/30/59/87/309305987.db2.gz WHHJLBNGHZQUHN-UHFFFAOYSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3csc(C4CC4)n3)CC2)CC1 ZINC000420985561 309305988 /nfs/dbraw/zinc/30/59/88/309305988.db2.gz WHHJLBNGHZQUHN-UHFFFAOYSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421367339 309320897 /nfs/dbraw/zinc/32/08/97/309320897.db2.gz SNIBIBBEMQCSGC-GJZGRUSLSA-N 2 2 326.916 3.372 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421843588 309342962 /nfs/dbraw/zinc/34/29/62/309342962.db2.gz MZKSXZATORMIAJ-ZIAGYGMSSA-N 2 2 328.859 3.111 20 0 EGADLP CC[C@H]1CCCC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028481 309351809 /nfs/dbraw/zinc/35/18/09/309351809.db2.gz XYBXTKKGCGVKLJ-AZUAARDMSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@H]1CCCC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028481 309351810 /nfs/dbraw/zinc/35/18/10/309351810.db2.gz XYBXTKKGCGVKLJ-AZUAARDMSA-N 2 2 349.563 3.221 20 0 EGADLP Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2cccs2)cc(C)[nH+]1 ZINC000422201251 309357780 /nfs/dbraw/zinc/35/77/80/309357780.db2.gz GJZCWRIQOYPJBS-UHFFFAOYSA-N 2 2 346.500 3.033 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(OC)c1 ZINC000422715863 309364693 /nfs/dbraw/zinc/36/46/93/309364693.db2.gz JMXXTXGNAFBKHL-MJGOQNOKSA-N 2 2 326.440 3.287 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(N2CCOCC2)c1 ZINC000422865414 309372517 /nfs/dbraw/zinc/37/25/17/309372517.db2.gz OSCOQPVKDRJJRD-PMACEKPBSA-N 2 2 337.467 3.066 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872997 309373001 /nfs/dbraw/zinc/37/30/01/309373001.db2.gz JKVCOJQBXBPLIK-SYNHAJSKSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872997 309373002 /nfs/dbraw/zinc/37/30/02/309373002.db2.gz JKVCOJQBXBPLIK-SYNHAJSKSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cn2)n1 ZINC000422898517 309375038 /nfs/dbraw/zinc/37/50/38/309375038.db2.gz MIMPVGADSSQXEX-RBUKOAKNSA-N 2 2 333.439 3.119 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422909060 309375604 /nfs/dbraw/zinc/37/56/04/309375604.db2.gz ZRAFQOFESCACDZ-IPYPFGDCSA-N 2 2 346.393 3.045 20 0 EGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422996661 309380046 /nfs/dbraw/zinc/38/00/46/309380046.db2.gz MPWFAINIRIDFIX-FTEYMNFISA-N 2 2 332.488 3.042 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423024403 309381693 /nfs/dbraw/zinc/38/16/93/309381693.db2.gz LTSMKEHRLPXFQC-OGHNNQOOSA-N 2 2 325.859 3.178 20 0 EGADLP FC(F)COc1ncccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423028250 309381713 /nfs/dbraw/zinc/38/17/13/309381713.db2.gz SLBQINLJNOKUEA-IRXDYDNUSA-N 2 2 347.409 3.308 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423034937 309382193 /nfs/dbraw/zinc/38/21/93/309382193.db2.gz QUUXTSFFXOPBHK-HRAATJIYSA-N 2 2 334.467 3.229 20 0 EGADLP CCCCOc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1Cl ZINC000423075523 309384615 /nfs/dbraw/zinc/38/46/15/309384615.db2.gz XFSOANOTAKINAF-ZBFHGGJFSA-N 2 2 340.895 3.376 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423139706 309387962 /nfs/dbraw/zinc/38/79/62/309387962.db2.gz WLEBEYCPBMQIMD-VNQPRFMTSA-N 2 2 330.394 3.079 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)sc1Br ZINC000423163908 309388929 /nfs/dbraw/zinc/38/89/29/309388929.db2.gz WCFDYWLELBHHDO-IJLUTSLNSA-N 2 2 344.322 3.224 20 0 EGADLP [NH3+]CC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000423193054 309389820 /nfs/dbraw/zinc/38/98/20/309389820.db2.gz WJDVQRBPKRODRN-INIZCTEOSA-N 2 2 337.236 3.420 20 0 EGADLP COc1ccc(C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423197575 309390058 /nfs/dbraw/zinc/39/00/58/309390058.db2.gz ZXGARCLWDONDTP-NQIIRXRSSA-N 2 2 340.467 3.329 20 0 EGADLP C[NH2+]CC[NH2+][C@H](C)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000423228051 309391486 /nfs/dbraw/zinc/39/14/86/309391486.db2.gz YAFDSDKEQNGNDZ-SNVBAGLBSA-N 2 2 327.259 3.358 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000423258565 309392645 /nfs/dbraw/zinc/39/26/45/309392645.db2.gz BXAYMXZIZOAVSS-FZKQIMNGSA-N 2 2 345.466 3.273 20 0 EGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423264990 309392900 /nfs/dbraw/zinc/39/29/00/309392900.db2.gz QLBJMWBVNYEKFA-OXQOHEQNSA-N 2 2 326.488 3.490 20 0 EGADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423283027 309393959 /nfs/dbraw/zinc/39/39/59/309393959.db2.gz VQWATPKWDULHPU-INIZCTEOSA-N 2 2 348.487 3.201 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000423308057 309394575 /nfs/dbraw/zinc/39/45/75/309394575.db2.gz XGFDOUPBTYBOLZ-OAHLLOKOSA-N 2 2 338.455 3.022 20 0 EGADLP Fc1ccc(Br)cc1[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423304166 309394605 /nfs/dbraw/zinc/39/46/05/309394605.db2.gz NIOUKFHRFQDWKK-QGZVFWFLSA-N 2 2 349.247 3.487 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000423326035 309395428 /nfs/dbraw/zinc/39/54/28/309395428.db2.gz JANNCIVCEMJOEL-AWEZNQCLSA-N 2 2 333.501 3.314 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2cncc(C)c2)cc1 ZINC000423337442 309396052 /nfs/dbraw/zinc/39/60/52/309396052.db2.gz QZOKJBBTFKKQKZ-UIAACRFSSA-N 2 2 325.456 3.195 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc(F)c1 ZINC000423386014 309398107 /nfs/dbraw/zinc/39/81/07/309398107.db2.gz LCKREDTWMGQVPF-DLBZAZTESA-N 2 2 330.451 3.016 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000423401333 309398771 /nfs/dbraw/zinc/39/87/71/309398771.db2.gz XEFRHFORWYCYGN-HUBLWGQQSA-N 2 2 333.867 3.020 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CCC[NH2+]1 ZINC000423412615 309399159 /nfs/dbraw/zinc/39/91/59/309399159.db2.gz IDNXPDGKAURTHE-CVEARBPZSA-N 2 2 329.271 3.339 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000423414361 309399246 /nfs/dbraw/zinc/39/92/46/309399246.db2.gz CCOSXPYOVLNLJI-IIBYNOLFSA-N 2 2 332.451 3.410 20 0 EGADLP FC(F)Oc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423425405 309399893 /nfs/dbraw/zinc/39/98/93/309399893.db2.gz GOTOERFIIQZFMT-XDNAFOTISA-N 2 2 330.378 3.185 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423439692 309400462 /nfs/dbraw/zinc/40/04/62/309400462.db2.gz VJQBDFRVUPDBOC-SWLSCSKDSA-N 2 2 332.366 3.004 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423525592 309404880 /nfs/dbraw/zinc/40/48/80/309404880.db2.gz KNAKVHIPDWRCIF-FHLIZLRMSA-N 2 2 326.440 3.110 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423821572 309414565 /nfs/dbraw/zinc/41/45/65/309414565.db2.gz RDVQTHIGEHBZCM-NJAFHUGGSA-N 2 2 349.544 3.251 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427880814 309537468 /nfs/dbraw/zinc/53/74/68/309537468.db2.gz WYJGCFOHYHUHMK-HIFRSBDPSA-N 2 2 332.245 3.238 20 0 EGADLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000427877269 309537511 /nfs/dbraw/zinc/53/75/11/309537511.db2.gz SKFWTYMPPPIKNU-ZBFHGGJFSA-N 2 2 329.444 3.346 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)(F)F ZINC000427889580 309537818 /nfs/dbraw/zinc/53/78/18/309537818.db2.gz HFEGLLVJQXDKEV-NEPJUHHUSA-N 2 2 325.334 3.447 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@@]2(C)CCCO2)CCOCC1)c1ccccc1 ZINC000428234076 309545312 /nfs/dbraw/zinc/54/53/12/309545312.db2.gz XJQGKPJASIBYQJ-CMKODMSKSA-N 2 2 346.515 3.434 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCCC(F)(F)C2)CC1 ZINC000430080084 309596472 /nfs/dbraw/zinc/59/64/72/309596472.db2.gz AVWYWJXYRRCHDF-HNNXBMFYSA-N 2 2 346.462 3.209 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430582482 309611829 /nfs/dbraw/zinc/61/18/29/309611829.db2.gz KRWZCVGCJGGTJL-IRXDYDNUSA-N 2 2 343.515 3.025 20 0 EGADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000430919655 309620904 /nfs/dbraw/zinc/62/09/04/309620904.db2.gz RIMGZESHYBSRGL-HOTGVXAUSA-N 2 2 339.483 3.089 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000443016924 309893639 /nfs/dbraw/zinc/89/36/39/309893639.db2.gz XQQFIWXCRJOJBJ-UTKZUKDTSA-N 2 2 349.482 3.357 20 0 EGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000443016922 309893674 /nfs/dbraw/zinc/89/36/74/309893674.db2.gz XQQFIWXCRJOJBJ-LAUBAEHRSA-N 2 2 349.482 3.357 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449098606 310037013 /nfs/dbraw/zinc/03/70/13/310037013.db2.gz KDIWHLQZIPGWAD-UHFFFAOYSA-N 2 2 342.487 3.235 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC1 ZINC000449102084 310037258 /nfs/dbraw/zinc/03/72/58/310037258.db2.gz ILECQIGBSPTCGB-HXUWFJFHSA-N 2 2 332.488 3.066 20 0 EGADLP CC[N@H+](C)CC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449108483 310037639 /nfs/dbraw/zinc/03/76/39/310037639.db2.gz RCWOWNKAHBLQFZ-UHFFFAOYSA-N 2 2 329.257 3.376 20 0 EGADLP CC[N@@H+](C)CC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449108483 310037640 /nfs/dbraw/zinc/03/76/40/310037640.db2.gz RCWOWNKAHBLQFZ-UHFFFAOYSA-N 2 2 329.257 3.376 20 0 EGADLP CSCC1CCC([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212831 310044933 /nfs/dbraw/zinc/04/49/33/310044933.db2.gz VNBLEKYHVPXCDD-TUNPWDSISA-N 2 2 348.556 3.133 20 0 EGADLP CSCC1CCC([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212831 310044934 /nfs/dbraw/zinc/04/49/34/310044934.db2.gz VNBLEKYHVPXCDD-TUNPWDSISA-N 2 2 348.556 3.133 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449222526 310045846 /nfs/dbraw/zinc/04/58/46/310045846.db2.gz IEKOXOOSUMNYBY-AWEZNQCLSA-N 2 2 349.475 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000449325190 310053486 /nfs/dbraw/zinc/05/34/86/310053486.db2.gz KSRJMGCAMAUSPJ-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000449325190 310053487 /nfs/dbraw/zinc/05/34/87/310053487.db2.gz KSRJMGCAMAUSPJ-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000449381517 310057724 /nfs/dbraw/zinc/05/77/24/310057724.db2.gz SLWOJEMTCLPCDG-XPGWFJOJSA-N 2 2 334.479 3.492 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C)o3)CC2)cc1 ZINC000449521105 310068999 /nfs/dbraw/zinc/06/89/99/310068999.db2.gz HQQUDLLZELLZMT-UHFFFAOYSA-N 2 2 341.455 3.301 20 0 EGADLP C[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+](Cc2ccccc2)C1 ZINC000449552423 310071188 /nfs/dbraw/zinc/07/11/88/310071188.db2.gz JGGKXBANZFUUEY-GOSISDBHSA-N 2 2 334.467 3.288 20 0 EGADLP C[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+](Cc2ccccc2)C1 ZINC000449552423 310071189 /nfs/dbraw/zinc/07/11/89/310071189.db2.gz JGGKXBANZFUUEY-GOSISDBHSA-N 2 2 334.467 3.288 20 0 EGADLP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449586962 310074031 /nfs/dbraw/zinc/07/40/31/310074031.db2.gz NNTJJSLLIYUFGQ-OAHLLOKOSA-N 2 2 346.906 3.259 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000449754789 310084720 /nfs/dbraw/zinc/08/47/20/310084720.db2.gz RXSJFWFSMVNISX-INIZCTEOSA-N 2 2 345.830 3.398 20 0 EGADLP COc1cccc2c1cc[nH+]c2N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000450409736 310120712 /nfs/dbraw/zinc/12/07/12/310120712.db2.gz WPNXGNBTNAATOW-INIZCTEOSA-N 2 2 325.456 3.412 20 0 EGADLP CC(C)[N@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453060330 310255151 /nfs/dbraw/zinc/25/51/51/310255151.db2.gz CBRAXNPQFAIJFS-QGZVFWFLSA-N 2 2 334.895 3.483 20 0 EGADLP CC(C)[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453060330 310255152 /nfs/dbraw/zinc/25/51/52/310255152.db2.gz CBRAXNPQFAIJFS-QGZVFWFLSA-N 2 2 334.895 3.483 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)Cc1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC000453068016 310255622 /nfs/dbraw/zinc/25/56/22/310255622.db2.gz CDPZUQWNCMBVKP-UWJYYQICSA-N 2 2 338.499 3.080 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H](C)Cc1cnccn1)[N@H+]1CCc2ccccc2C1 ZINC000453068016 310255623 /nfs/dbraw/zinc/25/56/23/310255623.db2.gz CDPZUQWNCMBVKP-UWJYYQICSA-N 2 2 338.499 3.080 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)Cc1cnccn1)c1cccc(OC)c1 ZINC000453087332 310257096 /nfs/dbraw/zinc/25/70/96/310257096.db2.gz YVWVHKXHQYDDHI-UZLBHIALSA-N 2 2 342.487 3.089 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CCCC1 ZINC000453259298 310267443 /nfs/dbraw/zinc/26/74/43/310267443.db2.gz IDBOHWOQNLAAGZ-RXVVDRJESA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CCCC1 ZINC000453259298 310267444 /nfs/dbraw/zinc/26/74/44/310267444.db2.gz IDBOHWOQNLAAGZ-RXVVDRJESA-N 2 2 346.515 3.363 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454263265 310300111 /nfs/dbraw/zinc/30/01/11/310300111.db2.gz KGNWUDMZMADUEB-DLBZAZTESA-N 2 2 349.523 3.020 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)[nH+]1 ZINC000455475018 310362578 /nfs/dbraw/zinc/36/25/78/310362578.db2.gz KMKQKOKJKCMXAJ-XJKCOSOUSA-N 2 2 332.492 3.495 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C)[nH+]1 ZINC000455488954 310363409 /nfs/dbraw/zinc/36/34/09/310363409.db2.gz VDIVWMUTXDUVSW-KRWDZBQOSA-N 2 2 326.444 3.431 20 0 EGADLP CC[N@H+](CCNC(=O)Nc1c(C)cc(C)[nH+]c1C)CCC(F)(F)F ZINC000455513576 310364673 /nfs/dbraw/zinc/36/46/73/310364673.db2.gz JCCNKTGCPWKNJW-UHFFFAOYSA-N 2 2 346.397 3.403 20 0 EGADLP CC[N@@H+](CCNC(=O)Nc1c(C)cc(C)[nH+]c1C)CCC(F)(F)F ZINC000455513576 310364674 /nfs/dbraw/zinc/36/46/74/310364674.db2.gz JCCNKTGCPWKNJW-UHFFFAOYSA-N 2 2 346.397 3.403 20 0 EGADLP Cc1ccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccsc3)n2c1 ZINC000459734905 310571928 /nfs/dbraw/zinc/57/19/28/310571928.db2.gz FUGHTWWFESBBPD-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP C(=C\c1ccncc1)\C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000487260840 311018266 /nfs/dbraw/zinc/01/82/66/311018266.db2.gz AXGOZXKGGRCPIU-PLNGDYQASA-N 2 2 331.529 3.436 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524729 311027239 /nfs/dbraw/zinc/02/72/39/311027239.db2.gz STJXHIYGHNKWQZ-KDOFPFPSSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524729 311027241 /nfs/dbraw/zinc/02/72/41/311027241.db2.gz STJXHIYGHNKWQZ-KDOFPFPSSA-N 2 2 338.455 3.023 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489935620 311126068 /nfs/dbraw/zinc/12/60/68/311126068.db2.gz PIAKSVFKKRLOAA-NYVOZVTQSA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489935620 311126069 /nfs/dbraw/zinc/12/60/69/311126069.db2.gz PIAKSVFKKRLOAA-NYVOZVTQSA-N 2 2 338.495 3.497 20 0 EGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490136223 311133941 /nfs/dbraw/zinc/13/39/41/311133941.db2.gz LBGDRYCJOOVXPE-UNMCSNQZSA-N 2 2 338.495 3.439 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000492248937 311229805 /nfs/dbraw/zinc/22/98/05/311229805.db2.gz DWXVTGNYLGBSDE-XITLMJRVSA-N 2 2 346.500 3.177 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000492250987 311230068 /nfs/dbraw/zinc/23/00/68/311230068.db2.gz JGNHUBLCUMGVCH-KHPPLWFESA-N 2 2 340.471 3.073 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000492250987 311230069 /nfs/dbraw/zinc/23/00/69/311230069.db2.gz JGNHUBLCUMGVCH-KHPPLWFESA-N 2 2 340.471 3.073 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492276152 311232861 /nfs/dbraw/zinc/23/28/61/311232861.db2.gz KCHPRUUKVPNYLN-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492276152 311232862 /nfs/dbraw/zinc/23/28/62/311232862.db2.gz KCHPRUUKVPNYLN-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000492328504 311238778 /nfs/dbraw/zinc/23/87/78/311238778.db2.gz MGYHXCNDDVPNAV-LSDHHAIUSA-N 2 2 344.459 3.436 20 0 EGADLP CCC(CC)(CNC(=O)/C=C/c1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000493435504 311376486 /nfs/dbraw/zinc/37/64/86/311376486.db2.gz TYHAUKSUIZRYRR-PCUGXKRQSA-N 2 2 340.471 3.449 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21)NC(=O)OC(C)(C)C ZINC000496457620 311715692 /nfs/dbraw/zinc/71/56/92/311715692.db2.gz FBCIDGNNDXTCKT-KBPBESRZSA-N 2 2 332.448 3.116 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000497823184 311869669 /nfs/dbraw/zinc/86/96/69/311869669.db2.gz ZXLODDGEWVLGAR-ROUUACIJSA-N 2 2 332.488 3.309 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471533 312049650 /nfs/dbraw/zinc/04/96/50/312049650.db2.gz CWXKNZSDWAUGJW-MOPGFXCFSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471533 312049651 /nfs/dbraw/zinc/04/96/51/312049651.db2.gz CWXKNZSDWAUGJW-MOPGFXCFSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471533 312049652 /nfs/dbraw/zinc/04/96/52/312049652.db2.gz CWXKNZSDWAUGJW-MOPGFXCFSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471533 312049653 /nfs/dbraw/zinc/04/96/53/312049653.db2.gz CWXKNZSDWAUGJW-MOPGFXCFSA-N 2 2 349.563 3.364 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000507809773 312083090 /nfs/dbraw/zinc/08/30/90/312083090.db2.gz FDHFNYNPPIKPQY-LPHOPBHVSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000507809773 312083091 /nfs/dbraw/zinc/08/30/91/312083091.db2.gz FDHFNYNPPIKPQY-LPHOPBHVSA-N 2 2 335.923 3.106 20 0 EGADLP CC[NH+](CC)[C@@H](CNCc1cn2ccccc2[nH+]1)Cc1ccccc1 ZINC000508729736 312101384 /nfs/dbraw/zinc/10/13/84/312101384.db2.gz JFGCSJOBAJJASQ-HXUWFJFHSA-N 2 2 336.483 3.377 20 0 EGADLP CCS[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510630116 312145123 /nfs/dbraw/zinc/14/51/23/312145123.db2.gz OGYKAEMWLOCIGY-PMACEKPBSA-N 2 2 347.572 3.463 20 0 EGADLP C[C@H](CC1CCCCC1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000511043170 312153809 /nfs/dbraw/zinc/15/38/09/312153809.db2.gz FWIUXXGJWJTXRM-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP C[C@H](CC1CCCCC1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511043170 312153810 /nfs/dbraw/zinc/15/38/10/312153810.db2.gz FWIUXXGJWJTXRM-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000515195395 312270511 /nfs/dbraw/zinc/27/05/11/312270511.db2.gz HKZNWPSPXPYDQV-LJQANCHMSA-N 2 2 336.439 3.357 20 0 EGADLP c1cn(Cc2ccc(NCc3cnc(-c4ccccc4)nc3)[nH+]c2)c[nH+]1 ZINC000515407341 312281553 /nfs/dbraw/zinc/28/15/53/312281553.db2.gz KYYJOGSULXCKCG-UHFFFAOYSA-N 2 2 342.406 3.396 20 0 EGADLP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000520623510 312514525 /nfs/dbraw/zinc/51/45/25/312514525.db2.gz QWZAMXZMAPPCQL-XLIONFOSSA-N 2 2 340.467 3.333 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[NH2+][C@H]4C)cc3)[nH+]c12 ZINC000521230757 312538196 /nfs/dbraw/zinc/53/81/96/312538196.db2.gz OUWYCKWUIFADKE-WMLDXEAASA-N 2 2 334.423 3.246 20 0 EGADLP COc1cc2c(cc1C[NH2+]Cc1cccc(-n3cc[nH+]c3)c1)O[C@H](C)C2 ZINC000523732987 312631497 /nfs/dbraw/zinc/63/14/97/312631497.db2.gz GXBUWYQYOHKOJV-OAHLLOKOSA-N 2 2 349.434 3.494 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)CCC2 ZINC000525682759 312740938 /nfs/dbraw/zinc/74/09/38/312740938.db2.gz AYMQHWYZKSYFKR-CYBMUJFWSA-N 2 2 327.457 3.310 20 0 EGADLP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000535774087 314072179 /nfs/dbraw/zinc/07/21/79/314072179.db2.gz JEYOHKWBDNUNMM-UHFFFAOYSA-N 2 2 340.471 3.284 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536835411 314148602 /nfs/dbraw/zinc/14/86/02/314148602.db2.gz YYZLZZUHYDJZND-HSQYWUDLSA-N 2 2 338.495 3.393 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536835411 314148605 /nfs/dbraw/zinc/14/86/05/314148605.db2.gz YYZLZZUHYDJZND-HSQYWUDLSA-N 2 2 338.495 3.393 20 0 EGADLP COc1ccc([C@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000536948849 314155276 /nfs/dbraw/zinc/15/52/76/314155276.db2.gz CTGFUGJBPPJKJM-FUHIMQAGSA-N 2 2 334.504 3.481 20 0 EGADLP COc1ccc([C@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000536948849 314155277 /nfs/dbraw/zinc/15/52/77/314155277.db2.gz CTGFUGJBPPJKJM-FUHIMQAGSA-N 2 2 334.504 3.481 20 0 EGADLP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000537477699 314184165 /nfs/dbraw/zinc/18/41/65/314184165.db2.gz KEPQONCKWMNSAX-PWRODBHTSA-N 2 2 330.516 3.487 20 0 EGADLP CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000537477699 314184167 /nfs/dbraw/zinc/18/41/67/314184167.db2.gz KEPQONCKWMNSAX-PWRODBHTSA-N 2 2 330.516 3.487 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000538429626 314246547 /nfs/dbraw/zinc/24/65/47/314246547.db2.gz XVRCDVAEACUJCJ-DOTOQJQBSA-N 2 2 336.476 3.447 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@@H](C)C[C@@H]3C)c2cc1C ZINC000548487861 315016087 /nfs/dbraw/zinc/01/60/87/315016087.db2.gz POXPOAFFGYFNBR-BVPBIZIASA-N 2 2 329.488 3.428 20 0 EGADLP CC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549164122 315079044 /nfs/dbraw/zinc/07/90/44/315079044.db2.gz ASYBLBSQJRVJCU-BDTNDASRSA-N 2 2 338.495 3.405 20 0 EGADLP CC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549164122 315079047 /nfs/dbraw/zinc/07/90/47/315079047.db2.gz ASYBLBSQJRVJCU-BDTNDASRSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000550163141 315119293 /nfs/dbraw/zinc/11/92/93/315119293.db2.gz AICIECDDPGEQOS-OAHLLOKOSA-N 2 2 326.444 3.290 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000550163141 315119295 /nfs/dbraw/zinc/11/92/95/315119295.db2.gz AICIECDDPGEQOS-OAHLLOKOSA-N 2 2 326.444 3.290 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000551574790 315159179 /nfs/dbraw/zinc/15/91/79/315159179.db2.gz QJPOLOUWOUHSAZ-PKOBYXMFSA-N 2 2 338.499 3.362 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000551574790 315159182 /nfs/dbraw/zinc/15/91/82/315159182.db2.gz QJPOLOUWOUHSAZ-PKOBYXMFSA-N 2 2 338.499 3.362 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000551813953 315170723 /nfs/dbraw/zinc/17/07/23/315170723.db2.gz VNJNSCLAFJAXMP-CYBMUJFWSA-N 2 2 338.455 3.300 20 0 EGADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000553095419 315244954 /nfs/dbraw/zinc/24/49/54/315244954.db2.gz VQFGJYLHSVHOOD-NQIIRXRSSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000553095419 315244955 /nfs/dbraw/zinc/24/49/55/315244955.db2.gz VQFGJYLHSVHOOD-NQIIRXRSSA-N 2 2 338.495 3.373 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)sc2c1 ZINC000554886447 315354687 /nfs/dbraw/zinc/35/46/87/315354687.db2.gz KUZFECNSXKCKRW-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)sc2c1 ZINC000554886447 315354690 /nfs/dbraw/zinc/35/46/90/315354690.db2.gz KUZFECNSXKCKRW-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)sc2c1 ZINC000554886447 315354694 /nfs/dbraw/zinc/35/46/94/315354694.db2.gz KUZFECNSXKCKRW-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)sc2c1 ZINC000554886447 315354697 /nfs/dbraw/zinc/35/46/97/315354697.db2.gz KUZFECNSXKCKRW-CJNGLKHVSA-N 2 2 331.485 3.221 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c2[nH+]ccn21 ZINC000556832703 315471628 /nfs/dbraw/zinc/47/16/28/315471628.db2.gz ZSJSSJWGQZVDPN-QAPCUYQASA-N 2 2 338.455 3.305 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)n1C ZINC000563440966 316022761 /nfs/dbraw/zinc/02/27/61/316022761.db2.gz UPBSHILMEXCSKM-UHFFFAOYSA-N 2 2 327.350 3.002 20 0 EGADLP CC(C)c1[nH+]c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c2ccccn21 ZINC000565080977 316262039 /nfs/dbraw/zinc/26/20/39/316262039.db2.gz IBGDZTPXQYEUSD-IRXDYDNUSA-N 2 2 331.485 3.164 20 0 EGADLP CC(C)c1[nH+]c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c2ccccn21 ZINC000565080977 316262042 /nfs/dbraw/zinc/26/20/42/316262042.db2.gz IBGDZTPXQYEUSD-IRXDYDNUSA-N 2 2 331.485 3.164 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000569697532 316950958 /nfs/dbraw/zinc/95/09/58/316950958.db2.gz RHFKDYKNNXHMMU-MRXNPFEDSA-N 2 2 344.459 3.194 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295746 317036338 /nfs/dbraw/zinc/03/63/38/317036338.db2.gz MAPNZNMZULWZCW-HZPDHXFCSA-N 2 2 344.503 3.146 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295746 317036345 /nfs/dbraw/zinc/03/63/45/317036345.db2.gz MAPNZNMZULWZCW-HZPDHXFCSA-N 2 2 344.503 3.146 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])N1CCCCC1 ZINC000570918498 317126211 /nfs/dbraw/zinc/12/62/11/317126211.db2.gz RWNALQBVYQTBFL-AABGKKOBSA-N 2 2 345.531 3.472 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)[nH]c2c1 ZINC000571753123 317241735 /nfs/dbraw/zinc/24/17/35/317241735.db2.gz ZTCZHJVDNRIICK-NQIIRXRSSA-N 2 2 348.450 3.217 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(C)c[nH+]1 ZINC000572443799 317339076 /nfs/dbraw/zinc/33/90/76/317339076.db2.gz DHXWMLHOPOXFDI-KRWDZBQOSA-N 2 2 330.476 3.039 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c(C)c[nH+]1 ZINC000572443799 317339078 /nfs/dbraw/zinc/33/90/78/317339078.db2.gz DHXWMLHOPOXFDI-KRWDZBQOSA-N 2 2 330.476 3.039 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)n1cc[nH+]c1 ZINC000574759689 317634007 /nfs/dbraw/zinc/63/40/07/317634007.db2.gz JZYHHUBBOSYEFV-HNNXBMFYSA-N 2 2 344.484 3.022 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC000178507073 323357572 /nfs/dbraw/zinc/35/75/72/323357572.db2.gz BGLWPVOHZMLPHN-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@H](C)C1 ZINC000178507073 323357575 /nfs/dbraw/zinc/35/75/75/323357575.db2.gz BGLWPVOHZMLPHN-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263825 /nfs/dbraw/zinc/26/38/25/324263825.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263828 /nfs/dbraw/zinc/26/38/28/324263828.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263831 /nfs/dbraw/zinc/26/38/31/324263831.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@H+]5CCCC[C@H]45)[C@H]3C2)cc1 ZINC000385803316 324263835 /nfs/dbraw/zinc/26/38/35/324263835.db2.gz KKXWGCYTCJSPEN-RTOMLYRKSA-N 3 2 339.527 3.113 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000389874837 324281116 /nfs/dbraw/zinc/28/11/16/324281116.db2.gz SKASPALZTMGIED-DABHTEOTSA-N 2 2 328.500 3.300 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000389874837 324281122 /nfs/dbraw/zinc/28/11/22/324281122.db2.gz SKASPALZTMGIED-DABHTEOTSA-N 2 2 328.500 3.300 20 0 EGADLP CC(C)OCC[NH+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000575927733 324510536 /nfs/dbraw/zinc/51/05/36/324510536.db2.gz NSDWESIYRZBRKY-UHFFFAOYSA-N 2 2 344.503 3.000 20 0 EGADLP O=C(CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Nc1cccc(F)c1 ZINC000578232281 324939507 /nfs/dbraw/zinc/93/95/07/324939507.db2.gz NQPWPBLCEYBEIE-UHFFFAOYSA-N 2 2 340.402 3.253 20 0 EGADLP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000578981247 325045124 /nfs/dbraw/zinc/04/51/24/325045124.db2.gz IVUGHORYNYTFTK-GVDBMIGSSA-N 2 2 347.528 3.278 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(O[C@H]2CCOC2)c1 ZINC000579225179 325079766 /nfs/dbraw/zinc/07/97/66/325079766.db2.gz SIHBRTSMZLKLAA-PWIZWCRZSA-N 2 2 338.451 3.397 20 0 EGADLP Clc1cccc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000579608801 325135369 /nfs/dbraw/zinc/13/53/69/325135369.db2.gz CQABTNIYZJBEES-UHFFFAOYSA-N 2 2 325.243 3.081 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1O ZINC000579763530 325155823 /nfs/dbraw/zinc/15/58/23/325155823.db2.gz BYCUJUYFXCWZOG-IBGZPJMESA-N 2 2 325.456 3.178 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncccc1O ZINC000579763530 325155827 /nfs/dbraw/zinc/15/58/27/325155827.db2.gz BYCUJUYFXCWZOG-IBGZPJMESA-N 2 2 325.456 3.178 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)COc2ccccc2C(F)(F)F)n1C ZINC000579853058 325169009 /nfs/dbraw/zinc/16/90/09/325169009.db2.gz AYRFRFLFLCOLJV-NSHDSACASA-N 2 2 327.350 3.304 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655425 325279350 /nfs/dbraw/zinc/27/93/50/325279350.db2.gz YJWHLCXBWJQWRA-HBGVWJBISA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655425 325279352 /nfs/dbraw/zinc/27/93/52/325279352.db2.gz YJWHLCXBWJQWRA-HBGVWJBISA-N 2 2 342.458 3.154 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722158 325288997 /nfs/dbraw/zinc/28/89/97/325288997.db2.gz ALEFFURPHKXZBY-SJLPKXTDSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722158 325288998 /nfs/dbraw/zinc/28/89/98/325288998.db2.gz ALEFFURPHKXZBY-SJLPKXTDSA-N 2 2 328.456 3.442 20 0 EGADLP Cc1ccc2cc[nH+]c(NCc3ccc[nH+]c3N3CCOCC3)c2c1 ZINC000581127812 325333195 /nfs/dbraw/zinc/33/31/95/325333195.db2.gz JBAVOZJYHKFBKX-UHFFFAOYSA-N 2 2 334.423 3.387 20 0 EGADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000581142217 325334906 /nfs/dbraw/zinc/33/49/06/325334906.db2.gz JNZJDZBTPYWTQG-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000581142217 325334908 /nfs/dbraw/zinc/33/49/08/325334908.db2.gz JNZJDZBTPYWTQG-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(F)c1 ZINC000581423456 325360088 /nfs/dbraw/zinc/36/00/88/325360088.db2.gz PRDOBGCILZIVEQ-IPMKNSEASA-N 2 2 336.414 3.383 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000581437148 325361752 /nfs/dbraw/zinc/36/17/52/325361752.db2.gz CDASMPUNVWHAOV-PXNSSMCTSA-N 2 2 342.483 3.229 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000581437148 325361755 /nfs/dbraw/zinc/36/17/55/325361755.db2.gz CDASMPUNVWHAOV-PXNSSMCTSA-N 2 2 342.483 3.229 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581608333 325376355 /nfs/dbraw/zinc/37/63/55/325376355.db2.gz XTTOAPOLFYLYTI-HXUWFJFHSA-N 2 2 342.439 3.185 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581608333 325376356 /nfs/dbraw/zinc/37/63/56/325376356.db2.gz XTTOAPOLFYLYTI-HXUWFJFHSA-N 2 2 342.439 3.185 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157693649 455221838 /nfs/dbraw/zinc/22/18/38/455221838.db2.gz QBODZYOQQFVMSX-UYAOXDASSA-N 2 2 326.488 3.397 20 0 EGADLP CCCCO[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352757106 457586530 /nfs/dbraw/zinc/58/65/30/457586530.db2.gz DLMIZJPYOAQDDW-CABCVRRESA-N 2 2 325.522 3.278 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1cccs1 ZINC000180697828 455229779 /nfs/dbraw/zinc/22/97/79/455229779.db2.gz MQZDJJODAJAKRV-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1cccs1 ZINC000180697828 455229781 /nfs/dbraw/zinc/22/97/81/455229781.db2.gz MQZDJJODAJAKRV-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1cccs1 ZINC000180697828 455229784 /nfs/dbraw/zinc/22/97/84/455229784.db2.gz MQZDJJODAJAKRV-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1cccs1 ZINC000180697828 455229786 /nfs/dbraw/zinc/22/97/86/455229786.db2.gz MQZDJJODAJAKRV-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375898 458126795 /nfs/dbraw/zinc/12/67/95/458126795.db2.gz ORCJNOMMOOAZQT-WCQYABFASA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435375898 458126801 /nfs/dbraw/zinc/12/68/01/458126801.db2.gz ORCJNOMMOOAZQT-WCQYABFASA-N 2 2 349.276 3.008 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000376734715 458377786 /nfs/dbraw/zinc/37/77/86/458377786.db2.gz CLYWBGWZXMDQPS-ZIAGYGMSSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000376734715 458377790 /nfs/dbraw/zinc/37/77/90/458377790.db2.gz CLYWBGWZXMDQPS-ZIAGYGMSSA-N 2 2 339.277 3.174 20 0 EGADLP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183177239 455245336 /nfs/dbraw/zinc/24/53/36/455245336.db2.gz LIWBLWMLGORPGF-SFHVURJKSA-N 2 2 333.863 3.372 20 0 EGADLP CC(C)Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000183200908 455250567 /nfs/dbraw/zinc/25/05/67/455250567.db2.gz PZHHWHQNDTUXSU-LJQANCHMSA-N 2 2 332.536 3.483 20 0 EGADLP CC(C)Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000183200908 455250571 /nfs/dbraw/zinc/25/05/71/455250571.db2.gz PZHHWHQNDTUXSU-LJQANCHMSA-N 2 2 332.536 3.483 20 0 EGADLP CC(C)Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000183294949 455272807 /nfs/dbraw/zinc/27/28/07/455272807.db2.gz ANURXJWNTZUBNF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000183294949 455272812 /nfs/dbraw/zinc/27/28/12/455272812.db2.gz ANURXJWNTZUBNF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000183294949 455272817 /nfs/dbraw/zinc/27/28/17/455272817.db2.gz ANURXJWNTZUBNF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000183294949 455272823 /nfs/dbraw/zinc/27/28/23/455272823.db2.gz ANURXJWNTZUBNF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000245439838 455300707 /nfs/dbraw/zinc/30/07/07/455300707.db2.gz GBJGKHRORVVCCP-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000245439838 455300710 /nfs/dbraw/zinc/30/07/10/455300710.db2.gz GBJGKHRORVVCCP-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C12CCC2 ZINC000181461028 455337748 /nfs/dbraw/zinc/33/77/48/455337748.db2.gz CSTMRLOMYHDGOF-MOPGFXCFSA-N 2 2 339.483 3.411 20 0 EGADLP CC(C)n1cc[nH+]c1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973547 455347035 /nfs/dbraw/zinc/34/70/35/455347035.db2.gz XQEKPSHIHVYMBQ-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc[nH+]c1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973547 455347041 /nfs/dbraw/zinc/34/70/41/455347041.db2.gz XQEKPSHIHVYMBQ-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC1(C)C[NH+](CCC[N@@H+]2CC(C)(C)OCC2(C)C)C(C)(C)CO1 ZINC000607153474 460799287 /nfs/dbraw/zinc/79/92/87/460799287.db2.gz FWACEFWIMNLIKA-UHFFFAOYSA-N 2 2 326.525 3.155 20 0 EGADLP CCN(C)c1ccc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)cn1 ZINC000190686348 455366166 /nfs/dbraw/zinc/36/61/66/455366166.db2.gz GYROHUJBNQSCIU-UHFFFAOYSA-N 2 2 337.471 3.376 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500785 453936157 /nfs/dbraw/zinc/93/61/57/453936157.db2.gz LCXBYTJIBDKLTC-GFCCVEGCSA-N 2 2 338.249 3.080 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)Cn1cc[nH+]c1 ZINC000067500474 453936169 /nfs/dbraw/zinc/93/61/69/453936169.db2.gz DKSOSQVEYGFLLD-QGZVFWFLSA-N 2 2 336.439 3.283 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000076002267 453947592 /nfs/dbraw/zinc/94/75/92/453947592.db2.gz PDSYFCBBGZERLZ-ROUUACIJSA-N 2 2 337.552 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000076002267 453947596 /nfs/dbraw/zinc/94/75/96/453947596.db2.gz PDSYFCBBGZERLZ-ROUUACIJSA-N 2 2 337.552 3.220 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000068282727 454014087 /nfs/dbraw/zinc/01/40/87/454014087.db2.gz SFVSMGLTKLXKSH-IBGZPJMESA-N 2 2 349.438 3.207 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000068282727 454014092 /nfs/dbraw/zinc/01/40/92/454014092.db2.gz SFVSMGLTKLXKSH-IBGZPJMESA-N 2 2 349.438 3.207 20 0 EGADLP C[NH+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000076721006 454029521 /nfs/dbraw/zinc/02/95/21/454029521.db2.gz VTCJKCZOAWAQFS-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077174182 454070909 /nfs/dbraw/zinc/07/09/09/454070909.db2.gz PMILAYMPYSIUJN-MRXNPFEDSA-N 2 2 337.458 3.129 20 0 EGADLP Cc1ccc([C@@H](CNc2cc(-n3cc[nH+]c3)ncn2)[NH+]2CCCC2)cc1 ZINC000077213948 454076484 /nfs/dbraw/zinc/07/64/84/454076484.db2.gz AFTQZQZEFHSYHS-GOSISDBHSA-N 2 2 348.454 3.220 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353306 454097433 /nfs/dbraw/zinc/09/74/33/454097433.db2.gz PNKUQKSHPUTZIS-UHFFFAOYSA-N 2 2 338.249 3.224 20 0 EGADLP CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710581 454136308 /nfs/dbraw/zinc/13/63/08/454136308.db2.gz ZVGWQRKBRVTGFF-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089427465 454147955 /nfs/dbraw/zinc/14/79/55/454147955.db2.gz LKDCQADMFQCEKG-DOTOQJQBSA-N 2 2 337.458 3.128 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089427465 454147959 /nfs/dbraw/zinc/14/79/59/454147959.db2.gz LKDCQADMFQCEKG-DOTOQJQBSA-N 2 2 337.458 3.128 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000089537166 454160386 /nfs/dbraw/zinc/16/03/86/454160386.db2.gz QWOGFXPDWIVEAT-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000089537166 454160388 /nfs/dbraw/zinc/16/03/88/454160388.db2.gz QWOGFXPDWIVEAT-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000089537166 454160389 /nfs/dbraw/zinc/16/03/89/454160389.db2.gz QWOGFXPDWIVEAT-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000089537166 454160391 /nfs/dbraw/zinc/16/03/91/454160391.db2.gz QWOGFXPDWIVEAT-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@@H+]1C1CC1 ZINC000119471860 454197673 /nfs/dbraw/zinc/19/76/73/454197673.db2.gz PWPNVNOIYLKTMQ-WFASDCNBSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@H+]1C1CC1 ZINC000119471860 454197681 /nfs/dbraw/zinc/19/76/81/454197681.db2.gz PWPNVNOIYLKTMQ-WFASDCNBSA-N 2 2 346.862 3.147 20 0 EGADLP COc1cccc(C([NH2+]C2CC[NH+](C)CC2)c2cccc(OC)c2)c1 ZINC000095423583 454209132 /nfs/dbraw/zinc/20/91/32/454209132.db2.gz ZMJCIEMNBACLMI-UHFFFAOYSA-N 2 2 340.467 3.477 20 0 EGADLP Cc1cc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)cc[nH+]1 ZINC000119639155 454209514 /nfs/dbraw/zinc/20/95/14/454209514.db2.gz LQFIBAHRLOWBNU-UHFFFAOYSA-N 2 2 342.443 3.042 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634951742 460627360 /nfs/dbraw/zinc/62/73/60/460627360.db2.gz FPUXPGZEWRKCJC-IBGZPJMESA-N 2 2 332.451 3.384 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634951742 460627364 /nfs/dbraw/zinc/62/73/64/460627364.db2.gz FPUXPGZEWRKCJC-IBGZPJMESA-N 2 2 332.451 3.384 20 0 EGADLP c1ccc(C[NH+]2CCC(NCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000131093911 454235614 /nfs/dbraw/zinc/23/56/14/454235614.db2.gz PJJFEPBIPREVNF-UHFFFAOYSA-N 2 2 349.522 3.299 20 0 EGADLP c1ccc(C[NH+]2CCC(NCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000131093911 454235621 /nfs/dbraw/zinc/23/56/21/454235621.db2.gz PJJFEPBIPREVNF-UHFFFAOYSA-N 2 2 349.522 3.299 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000131897382 454297112 /nfs/dbraw/zinc/29/71/12/454297112.db2.gz UVLGMERDCNNDGG-LPHOPBHVSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000131897382 454297117 /nfs/dbraw/zinc/29/71/17/454297117.db2.gz UVLGMERDCNNDGG-LPHOPBHVSA-N 2 2 339.439 3.179 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090461523 454308882 /nfs/dbraw/zinc/30/88/82/454308882.db2.gz LBJKTTYKCBAGPW-RBUKOAKNSA-N 2 2 331.504 3.229 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000090852420 454346422 /nfs/dbraw/zinc/34/64/22/454346422.db2.gz REZBIACXLPJZFN-MJGOQNOKSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000090852420 454346425 /nfs/dbraw/zinc/34/64/25/454346425.db2.gz REZBIACXLPJZFN-MJGOQNOKSA-N 2 2 338.499 3.290 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000078969236 454346476 /nfs/dbraw/zinc/34/64/76/454346476.db2.gz NTBAVYDOORIQNN-UHFFFAOYSA-N 2 2 347.466 3.085 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000078974172 454347068 /nfs/dbraw/zinc/34/70/68/454347068.db2.gz RYZUIYNXMZPNFL-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000078974172 454347072 /nfs/dbraw/zinc/34/70/72/454347072.db2.gz RYZUIYNXMZPNFL-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564853 460810423 /nfs/dbraw/zinc/81/04/23/460810423.db2.gz VDUNCBPLJLNOEY-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP CCCCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000062254723 454372880 /nfs/dbraw/zinc/37/28/80/454372880.db2.gz VLXCGGMGSUOUAV-INIZCTEOSA-N 2 2 331.460 3.497 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000097084657 454402696 /nfs/dbraw/zinc/40/26/96/454402696.db2.gz SLQYPLZIDWCTBK-QGZVFWFLSA-N 2 2 333.476 3.312 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000121443775 454436309 /nfs/dbraw/zinc/43/63/09/454436309.db2.gz UIBLZJVEOIYGIV-UHFFFAOYSA-N 2 2 348.397 3.264 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000079557349 454439912 /nfs/dbraw/zinc/43/99/12/454439912.db2.gz RBKBARNURYMGMI-APWZRJJASA-N 2 2 348.450 3.117 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000079557349 454439914 /nfs/dbraw/zinc/43/99/14/454439914.db2.gz RBKBARNURYMGMI-APWZRJJASA-N 2 2 348.450 3.117 20 0 EGADLP Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000079601660 454447947 /nfs/dbraw/zinc/44/79/47/454447947.db2.gz XDYGNHJKBODXAM-INIZCTEOSA-N 2 2 325.460 3.187 20 0 EGADLP COc1ccnc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121625876 454459470 /nfs/dbraw/zinc/45/94/70/454459470.db2.gz ZIZKLXSSTJMJDK-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1ccnc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121625876 454459473 /nfs/dbraw/zinc/45/94/73/454459473.db2.gz ZIZKLXSSTJMJDK-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP O=C(NCCCCn1cc[nH+]c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073642576 454463158 /nfs/dbraw/zinc/46/31/58/454463158.db2.gz PDVODUQWFCUQBC-UHFFFAOYSA-N 2 2 335.411 3.232 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)c2cc1C ZINC000048263417 454463988 /nfs/dbraw/zinc/46/39/88/454463988.db2.gz BQCZRXKJZZQRRZ-VQIMIIECSA-N 2 2 338.455 3.179 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]3c3ccc[nH]3)c2cc1C ZINC000048263417 454463992 /nfs/dbraw/zinc/46/39/92/454463992.db2.gz BQCZRXKJZZQRRZ-VQIMIIECSA-N 2 2 338.455 3.179 20 0 EGADLP CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101914073 454487298 /nfs/dbraw/zinc/48/72/98/454487298.db2.gz HSVIFRBBHKSQDO-SFHVURJKSA-N 2 2 340.471 3.001 20 0 EGADLP CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101914073 454487300 /nfs/dbraw/zinc/48/73/00/454487300.db2.gz HSVIFRBBHKSQDO-SFHVURJKSA-N 2 2 340.471 3.001 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091961038 454495444 /nfs/dbraw/zinc/49/54/44/454495444.db2.gz RHMUQLAARDRFPX-DOTOQJQBSA-N 2 2 329.444 3.374 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000091961038 454495449 /nfs/dbraw/zinc/49/54/49/454495449.db2.gz RHMUQLAARDRFPX-DOTOQJQBSA-N 2 2 329.444 3.374 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000092165324 454531083 /nfs/dbraw/zinc/53/10/83/454531083.db2.gz CEFCICUKEYGLJO-OAHLLOKOSA-N 2 2 332.488 3.325 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000092165324 454531085 /nfs/dbraw/zinc/53/10/85/454531085.db2.gz CEFCICUKEYGLJO-OAHLLOKOSA-N 2 2 332.488 3.325 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000122859190 454576663 /nfs/dbraw/zinc/57/66/63/454576663.db2.gz JFKWTSYEDQZZDH-CRAIPNDOSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000122859190 454576667 /nfs/dbraw/zinc/57/66/67/454576667.db2.gz JFKWTSYEDQZZDH-CRAIPNDOSA-N 2 2 326.444 3.022 20 0 EGADLP CCOc1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)nn1CC(C)C ZINC000092648343 454599213 /nfs/dbraw/zinc/59/92/13/454599213.db2.gz WIIWJUHJOJHUDB-UHFFFAOYSA-N 2 2 345.491 3.280 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871427 454600659 /nfs/dbraw/zinc/60/06/59/454600659.db2.gz WZNWCPKNEWKDDX-MBOZVWFJSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871427 454600662 /nfs/dbraw/zinc/60/06/62/454600662.db2.gz WZNWCPKNEWKDDX-MBOZVWFJSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871427 454600667 /nfs/dbraw/zinc/60/06/67/454600667.db2.gz WZNWCPKNEWKDDX-MBOZVWFJSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871427 454600670 /nfs/dbraw/zinc/60/06/70/454600670.db2.gz WZNWCPKNEWKDDX-MBOZVWFJSA-N 2 2 341.499 3.271 20 0 EGADLP COc1c(C)cnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134891871 454603263 /nfs/dbraw/zinc/60/32/63/454603263.db2.gz LLUPODXJSQCLCY-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP COc1c(C)cnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134891871 454603267 /nfs/dbraw/zinc/60/32/67/454603267.db2.gz LLUPODXJSQCLCY-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP COc1c(C)cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134891871 454603273 /nfs/dbraw/zinc/60/32/73/454603273.db2.gz LLUPODXJSQCLCY-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP COc1c(C)cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134891871 454603276 /nfs/dbraw/zinc/60/32/76/454603276.db2.gz LLUPODXJSQCLCY-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134921948 454609582 /nfs/dbraw/zinc/60/95/82/454609582.db2.gz DTQSAECOSXFYJK-DNVCBOLYSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134921948 454609584 /nfs/dbraw/zinc/60/95/84/454609584.db2.gz DTQSAECOSXFYJK-DNVCBOLYSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134921948 454609587 /nfs/dbraw/zinc/60/95/87/454609587.db2.gz DTQSAECOSXFYJK-DNVCBOLYSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134921948 454609589 /nfs/dbraw/zinc/60/95/89/454609589.db2.gz DTQSAECOSXFYJK-DNVCBOLYSA-N 2 2 345.462 3.021 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000123198111 454613983 /nfs/dbraw/zinc/61/39/83/454613983.db2.gz YBSLKHBEBIZRBZ-DJIMGWMZSA-N 2 2 337.508 3.039 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000123198111 454613988 /nfs/dbraw/zinc/61/39/88/454613988.db2.gz YBSLKHBEBIZRBZ-DJIMGWMZSA-N 2 2 337.508 3.039 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)CC3 ZINC000123219373 454616916 /nfs/dbraw/zinc/61/69/16/454616916.db2.gz SZTFZWMBCYQBKW-KBPBESRZSA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)CC3 ZINC000123219373 454616921 /nfs/dbraw/zinc/61/69/21/454616921.db2.gz SZTFZWMBCYQBKW-KBPBESRZSA-N 2 2 327.472 3.106 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cccnc3)CC2)c1 ZINC000092737870 454621446 /nfs/dbraw/zinc/62/14/46/454621446.db2.gz BUZBICISVFLBGN-IBGZPJMESA-N 2 2 338.499 3.253 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000080960471 454656974 /nfs/dbraw/zinc/65/69/74/454656974.db2.gz LBNUWQHCKKCLHZ-CVEARBPZSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000080960471 454656979 /nfs/dbraw/zinc/65/69/79/454656979.db2.gz LBNUWQHCKKCLHZ-CVEARBPZSA-N 2 2 348.491 3.236 20 0 EGADLP Clc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974072 454663798 /nfs/dbraw/zinc/66/37/98/454663798.db2.gz ZGWHLJSLOXALCJ-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1cccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974072 454663805 /nfs/dbraw/zinc/66/38/05/454663805.db2.gz ZGWHLJSLOXALCJ-ZDUSSCGKSA-N 2 2 343.818 3.493 20 0 EGADLP C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000093310943 454701879 /nfs/dbraw/zinc/70/18/79/454701879.db2.gz IVRCEEBMOWJRQX-KRWDZBQOSA-N 2 2 336.439 3.040 20 0 EGADLP C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000093310943 454701880 /nfs/dbraw/zinc/70/18/80/454701880.db2.gz IVRCEEBMOWJRQX-KRWDZBQOSA-N 2 2 336.439 3.040 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000152741979 454719751 /nfs/dbraw/zinc/71/97/51/454719751.db2.gz PMJAWHNSOQWRHC-CQSZACIVSA-N 2 2 326.444 3.071 20 0 EGADLP Cc1[nH+]cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000093683628 454729225 /nfs/dbraw/zinc/72/92/25/454729225.db2.gz HCPLYRJPBYFTGS-IBGZPJMESA-N 2 2 338.499 3.489 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000093683628 454729228 /nfs/dbraw/zinc/72/92/28/454729228.db2.gz HCPLYRJPBYFTGS-IBGZPJMESA-N 2 2 338.499 3.489 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1-c1ccccc1 ZINC000093683628 454729234 /nfs/dbraw/zinc/72/92/34/454729234.db2.gz HCPLYRJPBYFTGS-IBGZPJMESA-N 2 2 338.499 3.489 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741984 454731791 /nfs/dbraw/zinc/73/17/91/454731791.db2.gz KGMXKUDEQYBRST-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741984 454731794 /nfs/dbraw/zinc/73/17/94/454731794.db2.gz KGMXKUDEQYBRST-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741984 454731796 /nfs/dbraw/zinc/73/17/96/454731796.db2.gz KGMXKUDEQYBRST-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000093741984 454731799 /nfs/dbraw/zinc/73/17/99/454731799.db2.gz KGMXKUDEQYBRST-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770442 454734561 /nfs/dbraw/zinc/73/45/61/454734561.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 3 2 331.548 3.418 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770442 454734562 /nfs/dbraw/zinc/73/45/62/454734562.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 3 2 331.548 3.418 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770442 454734564 /nfs/dbraw/zinc/73/45/64/454734564.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 3 2 331.548 3.418 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000093770442 454734566 /nfs/dbraw/zinc/73/45/66/454734566.db2.gz DTQPRXVENOCMBD-HXUWFJFHSA-N 3 2 331.548 3.418 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769953 454734680 /nfs/dbraw/zinc/73/46/80/454734680.db2.gz NFFUEIDLNKLLPU-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769953 454734684 /nfs/dbraw/zinc/73/46/84/454734684.db2.gz NFFUEIDLNKLLPU-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769953 454734686 /nfs/dbraw/zinc/73/46/86/454734686.db2.gz NFFUEIDLNKLLPU-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c(C)nn1CC(C)C ZINC000093769953 454734690 /nfs/dbraw/zinc/73/46/90/454734690.db2.gz NFFUEIDLNKLLPU-KRWDZBQOSA-N 2 2 336.524 3.020 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770350 454735013 /nfs/dbraw/zinc/73/50/13/454735013.db2.gz FAHDCZDZVFITCP-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770350 454735016 /nfs/dbraw/zinc/73/50/16/454735016.db2.gz FAHDCZDZVFITCP-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770350 454735024 /nfs/dbraw/zinc/73/50/24/454735024.db2.gz FAHDCZDZVFITCP-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770350 454735030 /nfs/dbraw/zinc/73/50/30/454735030.db2.gz FAHDCZDZVFITCP-CQSZACIVSA-N 2 2 328.403 3.070 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000136402545 454740595 /nfs/dbraw/zinc/74/05/95/454740595.db2.gz ARULGZAZSOQLBP-HXUWFJFHSA-N 3 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000136402545 454740603 /nfs/dbraw/zinc/74/06/03/454740603.db2.gz ARULGZAZSOQLBP-HXUWFJFHSA-N 3 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136402545 454740606 /nfs/dbraw/zinc/74/06/06/454740606.db2.gz ARULGZAZSOQLBP-HXUWFJFHSA-N 3 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000136402545 454740613 /nfs/dbraw/zinc/74/06/13/454740613.db2.gz ARULGZAZSOQLBP-HXUWFJFHSA-N 3 2 326.488 3.036 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865994 454740954 /nfs/dbraw/zinc/74/09/54/454740954.db2.gz JXPBWEWASUOLNO-INIZCTEOSA-N 2 2 338.386 3.264 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865994 454740957 /nfs/dbraw/zinc/74/09/57/454740957.db2.gz JXPBWEWASUOLNO-INIZCTEOSA-N 2 2 338.386 3.264 20 0 EGADLP C[C@H]1CCc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000093866003 454741405 /nfs/dbraw/zinc/74/14/05/454741405.db2.gz IUKBVGTXHNXCQH-ZFWWWQNUSA-N 2 2 329.469 3.316 20 0 EGADLP C[C@H]1CCc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000093866003 454741410 /nfs/dbraw/zinc/74/14/10/454741410.db2.gz IUKBVGTXHNXCQH-ZFWWWQNUSA-N 2 2 329.469 3.316 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866259 454741503 /nfs/dbraw/zinc/74/15/03/454741503.db2.gz RIDPTGNHHJAUGC-QGZVFWFLSA-N 2 2 328.412 3.142 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866259 454741505 /nfs/dbraw/zinc/74/15/05/454741505.db2.gz RIDPTGNHHJAUGC-QGZVFWFLSA-N 2 2 328.412 3.142 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137074226 454768275 /nfs/dbraw/zinc/76/82/75/454768275.db2.gz BJLDPBKAQXSMMZ-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000153400738 454790440 /nfs/dbraw/zinc/79/04/40/454790440.db2.gz XDWFQUZOBNYBMK-UHFFFAOYSA-N 2 2 343.475 3.376 20 0 EGADLP CCc1noc(C)c1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000162638733 454790497 /nfs/dbraw/zinc/79/04/97/454790497.db2.gz NWAAFTUHHLSIBV-UHFFFAOYSA-N 2 2 343.475 3.089 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000153490238 454799233 /nfs/dbraw/zinc/79/92/33/454799233.db2.gz WZAITOFIMMENPV-BHIYHBOVSA-N 2 2 343.515 3.076 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000153490238 454799237 /nfs/dbraw/zinc/79/92/37/454799237.db2.gz WZAITOFIMMENPV-BHIYHBOVSA-N 2 2 343.515 3.076 20 0 EGADLP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000153546794 454805280 /nfs/dbraw/zinc/80/52/80/454805280.db2.gz PRMGNJWUTBWHDR-INIZCTEOSA-N 2 2 325.412 3.040 20 0 EGADLP CCCN(Cc1c[nH+]cn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177037062 454815569 /nfs/dbraw/zinc/81/55/69/454815569.db2.gz QVLPHBKMRZZSFM-IBGZPJMESA-N 2 2 326.488 3.297 20 0 EGADLP CCCN(Cc1c[nH+]cn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177037062 454815571 /nfs/dbraw/zinc/81/55/71/454815571.db2.gz QVLPHBKMRZZSFM-IBGZPJMESA-N 2 2 326.488 3.297 20 0 EGADLP CC[C@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000177158678 454830776 /nfs/dbraw/zinc/83/07/76/454830776.db2.gz LDOITOGLBSQIBA-GOSISDBHSA-N 2 2 345.531 3.021 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000154162968 454870549 /nfs/dbraw/zinc/87/05/49/454870549.db2.gz DHZOZEVQKKAUJS-GOSISDBHSA-N 2 2 339.439 3.099 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000154162968 454870551 /nfs/dbraw/zinc/87/05/51/454870551.db2.gz DHZOZEVQKKAUJS-GOSISDBHSA-N 2 2 339.439 3.099 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CCC3)cc1 ZINC000154266156 454879839 /nfs/dbraw/zinc/87/98/39/454879839.db2.gz ZYIWBXJXXMQBGG-HZPDHXFCSA-N 2 2 345.512 3.008 20 0 EGADLP COc1ccc([C@@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)cc1OC ZINC000177804104 454907964 /nfs/dbraw/zinc/90/79/64/454907964.db2.gz CSUBMZWHNFUYEL-MRXNPFEDSA-N 2 2 344.459 3.134 20 0 EGADLP O=C(C[NH2+]CC1CC1)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000166949383 454917189 /nfs/dbraw/zinc/91/71/89/454917189.db2.gz XPNFTBFMVGFRQC-UHFFFAOYSA-N 2 2 331.803 3.465 20 0 EGADLP CC[N@@H+](Cc1cccnc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177948240 454922132 /nfs/dbraw/zinc/92/21/32/454922132.db2.gz GRDKMWFMOGSNCU-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1cccnc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177948240 454922135 /nfs/dbraw/zinc/92/21/35/454922135.db2.gz GRDKMWFMOGSNCU-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154878006 454938946 /nfs/dbraw/zinc/93/89/46/454938946.db2.gz IESYRNNZKNDVII-CYBMUJFWSA-N 2 2 326.868 3.110 20 0 EGADLP Clc1ccc(CN2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000151137913 454943223 /nfs/dbraw/zinc/94/32/23/454943223.db2.gz NASRZYYRBIDIEM-UHFFFAOYSA-N 2 2 332.879 3.181 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC000151137913 454943225 /nfs/dbraw/zinc/94/32/25/454943225.db2.gz NASRZYYRBIDIEM-UHFFFAOYSA-N 3 2 332.879 3.181 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2nccn2CCc2ccccc2)CC1 ZINC000178350548 454951569 /nfs/dbraw/zinc/95/15/69/454951569.db2.gz YCUMYQHTDLDGNX-UHFFFAOYSA-N 2 2 340.515 3.478 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)sc1C ZINC000127802404 454998520 /nfs/dbraw/zinc/99/85/20/454998520.db2.gz CYIAEWHGUYITDR-KSSFIOAISA-N 2 2 344.528 3.198 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)sc1C ZINC000127802404 454998524 /nfs/dbraw/zinc/99/85/24/454998524.db2.gz CYIAEWHGUYITDR-KSSFIOAISA-N 2 2 344.528 3.198 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cn1 ZINC000179109730 455009319 /nfs/dbraw/zinc/00/93/19/455009319.db2.gz CVMCNPPDJFJCCG-LBPRGKRZSA-N 2 2 327.819 3.475 20 0 EGADLP CCOc1cc(C[NH2+]CC[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000171127664 455033157 /nfs/dbraw/zinc/03/31/57/455033157.db2.gz IBENEJIQNOMURL-UHFFFAOYSA-N 2 2 346.393 3.212 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000155738502 455039082 /nfs/dbraw/zinc/03/90/82/455039082.db2.gz HNYPRIZRKMJJKD-CYBMUJFWSA-N 2 2 345.409 3.352 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000155738502 455039087 /nfs/dbraw/zinc/03/90/87/455039087.db2.gz HNYPRIZRKMJJKD-CYBMUJFWSA-N 2 2 345.409 3.352 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116395938 455053929 /nfs/dbraw/zinc/05/39/29/455053929.db2.gz BQBCWZZNMCLSDL-YJBOKZPZSA-N 2 2 349.519 3.368 20 0 EGADLP CC[N@H+](CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000155859370 455054059 /nfs/dbraw/zinc/05/40/59/455054059.db2.gz AKAISIWERBXGCW-UHFFFAOYSA-N 2 2 335.923 3.378 20 0 EGADLP CC[N@@H+](CCNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000155859370 455054062 /nfs/dbraw/zinc/05/40/62/455054062.db2.gz AKAISIWERBXGCW-UHFFFAOYSA-N 2 2 335.923 3.378 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116395929 455054228 /nfs/dbraw/zinc/05/42/28/455054228.db2.gz ZXKZTDCQYIVTBN-QAPCUYQASA-N 2 2 349.519 3.287 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(F)c1 ZINC000116397253 455054751 /nfs/dbraw/zinc/05/47/51/455054751.db2.gz WIORSWBSRJEBBS-YOEHRIQHSA-N 2 2 337.483 3.417 20 0 EGADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647556 455081838 /nfs/dbraw/zinc/08/18/38/455081838.db2.gz UPWWXKSSTGZHGU-KRWDZBQOSA-N 2 2 338.455 3.017 20 0 EGADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647556 455081842 /nfs/dbraw/zinc/08/18/42/455081842.db2.gz UPWWXKSSTGZHGU-KRWDZBQOSA-N 2 2 338.455 3.017 20 0 EGADLP c1cn(C2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)c[nH+]1 ZINC000179902680 455096801 /nfs/dbraw/zinc/09/68/01/455096801.db2.gz CFJXADGFVXNYPO-UHFFFAOYSA-N 2 2 327.457 3.307 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000152412749 455115167 /nfs/dbraw/zinc/11/51/67/455115167.db2.gz RJVRYCUUTNAPSP-UHFFFAOYSA-N 2 2 326.444 3.472 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000152412749 455115170 /nfs/dbraw/zinc/11/51/70/455115170.db2.gz RJVRYCUUTNAPSP-UHFFFAOYSA-N 2 2 326.444 3.472 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156553437 455132319 /nfs/dbraw/zinc/13/23/19/455132319.db2.gz QETFMXRNAIOQTH-KSSFIOAISA-N 2 2 330.476 3.105 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000156553437 455132321 /nfs/dbraw/zinc/13/23/21/455132321.db2.gz QETFMXRNAIOQTH-KSSFIOAISA-N 2 2 330.476 3.105 20 0 EGADLP O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180169333 455143854 /nfs/dbraw/zinc/14/38/54/455143854.db2.gz HSNVWDDPAVVOSQ-FQEVSTJZSA-N 2 2 339.414 3.419 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000172577525 455162453 /nfs/dbraw/zinc/16/24/53/455162453.db2.gz GBYCAFOODQNTNC-GOSISDBHSA-N 2 2 334.435 3.143 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000172577525 455162454 /nfs/dbraw/zinc/16/24/54/455162454.db2.gz GBYCAFOODQNTNC-GOSISDBHSA-N 2 2 334.435 3.143 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000157207531 455173031 /nfs/dbraw/zinc/17/30/31/455173031.db2.gz MRTLNRFKDAYUCL-IBGZPJMESA-N 2 2 329.488 3.192 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000157207531 455173033 /nfs/dbraw/zinc/17/30/33/455173033.db2.gz MRTLNRFKDAYUCL-IBGZPJMESA-N 2 2 329.488 3.192 20 0 EGADLP CC(C)Cn1ncnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000182925611 455192641 /nfs/dbraw/zinc/19/26/41/455192641.db2.gz DJDRNQSGSQDHIJ-UHFFFAOYSA-N 2 2 333.524 3.022 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414227 455291817 /nfs/dbraw/zinc/29/18/17/455291817.db2.gz CCFPRAPJWIWQCO-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414227 455291820 /nfs/dbraw/zinc/29/18/20/455291820.db2.gz CCFPRAPJWIWQCO-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414227 455291823 /nfs/dbraw/zinc/29/18/23/455291823.db2.gz CCFPRAPJWIWQCO-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245414227 455291827 /nfs/dbraw/zinc/29/18/27/455291827.db2.gz CCFPRAPJWIWQCO-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CCN(C(=O)C[N@H+](C)C1CC[NH+](CC)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000157497478 455201367 /nfs/dbraw/zinc/20/13/67/455201367.db2.gz PIMYBZPEYQGCGZ-INIZCTEOSA-N 2 2 349.494 3.151 20 0 EGADLP CCN(C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000157497478 455201369 /nfs/dbraw/zinc/20/13/69/455201369.db2.gz PIMYBZPEYQGCGZ-INIZCTEOSA-N 2 2 349.494 3.151 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157519298 455203436 /nfs/dbraw/zinc/20/34/36/455203436.db2.gz QPAQFVWKWVKQFD-AEFFLSMTSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157519298 455203441 /nfs/dbraw/zinc/20/34/41/455203441.db2.gz QPAQFVWKWVKQFD-AEFFLSMTSA-N 2 2 347.478 3.411 20 0 EGADLP C[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157526347 455204112 /nfs/dbraw/zinc/20/41/12/455204112.db2.gz JHCZEQMJHXADNA-QGZVFWFLSA-N 2 2 343.471 3.356 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)co2)cc1 ZINC000158515195 455310185 /nfs/dbraw/zinc/31/01/85/455310185.db2.gz TVENBHUXDIBBJV-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)co2)cc1 ZINC000158515195 455310193 /nfs/dbraw/zinc/31/01/93/455310193.db2.gz TVENBHUXDIBBJV-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)co2)cc1 ZINC000158515195 455310198 /nfs/dbraw/zinc/31/01/98/455310198.db2.gz TVENBHUXDIBBJV-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)co2)cc1 ZINC000158515195 455310202 /nfs/dbraw/zinc/31/02/02/455310202.db2.gz TVENBHUXDIBBJV-APWZRJJASA-N 2 2 341.455 3.266 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158885644 455335440 /nfs/dbraw/zinc/33/54/40/455335440.db2.gz LICRPFDSPWWZNA-ZBFHGGJFSA-N 2 2 339.549 3.318 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1F ZINC000158939672 455338239 /nfs/dbraw/zinc/33/82/39/455338239.db2.gz LXNHWVMQJBSNJO-QAPCUYQASA-N 2 2 326.431 3.098 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1F ZINC000158939418 455338552 /nfs/dbraw/zinc/33/85/52/455338552.db2.gz LXNHWVMQJBSNJO-YJBOKZPZSA-N 2 2 326.431 3.098 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158996285 455343502 /nfs/dbraw/zinc/34/35/02/455343502.db2.gz UBQDRSZKEYXZBF-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158996285 455343506 /nfs/dbraw/zinc/34/35/06/455343506.db2.gz UBQDRSZKEYXZBF-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158996285 455343512 /nfs/dbraw/zinc/34/35/12/455343512.db2.gz UBQDRSZKEYXZBF-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158996285 455343514 /nfs/dbraw/zinc/34/35/14/455343514.db2.gz UBQDRSZKEYXZBF-BFHYXJOUSA-N 2 2 332.473 3.275 20 0 EGADLP CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245750585 455373071 /nfs/dbraw/zinc/37/30/71/455373071.db2.gz XMENNROERFNTOI-VQTJNVASSA-N 2 2 343.515 3.096 20 0 EGADLP CN(C(=O)c1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245750585 455373074 /nfs/dbraw/zinc/37/30/74/455373074.db2.gz XMENNROERFNTOI-VQTJNVASSA-N 2 2 343.515 3.096 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000246003362 455412545 /nfs/dbraw/zinc/41/25/45/455412545.db2.gz YORVKLREIIUYFO-WMLDXEAASA-N 2 2 333.863 3.062 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000246003362 455412547 /nfs/dbraw/zinc/41/25/47/455412547.db2.gz YORVKLREIIUYFO-WMLDXEAASA-N 2 2 333.863 3.062 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266917013 455474298 /nfs/dbraw/zinc/47/42/98/455474298.db2.gz KUUNKAAADFAYGJ-QZTJIDSGSA-N 2 2 340.471 3.199 20 0 EGADLP Clc1cccc2c1CC[C@@H]2[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246754912 455522530 /nfs/dbraw/zinc/52/25/30/455522530.db2.gz QKTVJEIKBXEXRT-KXBFYZLASA-N 2 2 334.891 3.372 20 0 EGADLP Clc1cccc2c1CC[C@@H]2[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246754912 455522534 /nfs/dbraw/zinc/52/25/34/455522534.db2.gz QKTVJEIKBXEXRT-KXBFYZLASA-N 2 2 334.891 3.372 20 0 EGADLP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191831450 455523799 /nfs/dbraw/zinc/52/37/99/455523799.db2.gz KYYGYUWMVZRXSM-VQTJNVASSA-N 2 2 334.504 3.072 20 0 EGADLP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191831450 455523803 /nfs/dbraw/zinc/52/38/03/455523803.db2.gz KYYGYUWMVZRXSM-VQTJNVASSA-N 2 2 334.504 3.072 20 0 EGADLP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c4cc(C)ccn34)c2)CC1 ZINC000191885794 455528628 /nfs/dbraw/zinc/52/86/28/455528628.db2.gz DLWFVLBMKYUJGJ-UHFFFAOYSA-N 2 2 349.482 3.397 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247066275 455554973 /nfs/dbraw/zinc/55/49/73/455554973.db2.gz VMSYZUYYQRLUJQ-BBRMVZONSA-N 2 2 325.416 3.258 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000247066275 455554975 /nfs/dbraw/zinc/55/49/75/455554975.db2.gz VMSYZUYYQRLUJQ-BBRMVZONSA-N 2 2 325.416 3.258 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247267569 455580697 /nfs/dbraw/zinc/58/06/97/455580697.db2.gz ZRDFPYZBBPCXBP-TZIWHRDSSA-N 3 2 346.563 3.391 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247267569 455580700 /nfs/dbraw/zinc/58/07/00/455580700.db2.gz ZRDFPYZBBPCXBP-TZIWHRDSSA-N 3 2 346.563 3.391 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247295528 455584287 /nfs/dbraw/zinc/58/42/87/455584287.db2.gz UKRKGXGOHAIRTC-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247295528 455584288 /nfs/dbraw/zinc/58/42/88/455584288.db2.gz UKRKGXGOHAIRTC-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247295528 455584290 /nfs/dbraw/zinc/58/42/90/455584290.db2.gz UKRKGXGOHAIRTC-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247295528 455584292 /nfs/dbraw/zinc/58/42/92/455584292.db2.gz UKRKGXGOHAIRTC-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000247334693 455589248 /nfs/dbraw/zinc/58/92/48/455589248.db2.gz VRAPMNMHTXJCBZ-QAPCUYQASA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000247334693 455589250 /nfs/dbraw/zinc/58/92/50/455589250.db2.gz VRAPMNMHTXJCBZ-QAPCUYQASA-N 2 2 326.444 3.022 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185678426 455594607 /nfs/dbraw/zinc/59/46/07/455594607.db2.gz GLKLILFWMKIMIS-YWZLYKJASA-N 2 2 325.456 3.426 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cn21 ZINC000185723240 455605853 /nfs/dbraw/zinc/60/58/53/455605853.db2.gz UERFKYDABJMOJO-IRXDYDNUSA-N 2 2 326.488 3.385 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cn21 ZINC000185723240 455605854 /nfs/dbraw/zinc/60/58/54/455605854.db2.gz UERFKYDABJMOJO-IRXDYDNUSA-N 2 2 326.488 3.385 20 0 EGADLP C[C@H](C[NH2+]Cc1c(F)cccc1Br)Cn1cc[nH+]c1 ZINC000192512601 455634171 /nfs/dbraw/zinc/63/41/71/455634171.db2.gz OXQUEIMKDBCHBD-LLVKDONJSA-N 2 2 326.213 3.211 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000247657605 455635109 /nfs/dbraw/zinc/63/51/09/455635109.db2.gz PSEHYNSCZZXDER-ROUUACIJSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccccn23)C1 ZINC000247657605 455635112 /nfs/dbraw/zinc/63/51/12/455635112.db2.gz PSEHYNSCZZXDER-ROUUACIJSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000247657605 455635117 /nfs/dbraw/zinc/63/51/17/455635117.db2.gz PSEHYNSCZZXDER-ROUUACIJSA-N 2 2 326.488 3.421 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000247657605 455635122 /nfs/dbraw/zinc/63/51/22/455635122.db2.gz PSEHYNSCZZXDER-ROUUACIJSA-N 2 2 326.488 3.421 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000247696480 455638656 /nfs/dbraw/zinc/63/86/56/455638656.db2.gz WSVNYTAITKRHCQ-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000247696480 455638662 /nfs/dbraw/zinc/63/86/62/455638662.db2.gz WSVNYTAITKRHCQ-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247776384 455645345 /nfs/dbraw/zinc/64/53/45/455645345.db2.gz WWELZWGRSFOXON-XNJGSVPQSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247776384 455645346 /nfs/dbraw/zinc/64/53/46/455645346.db2.gz WWELZWGRSFOXON-XNJGSVPQSA-N 2 2 348.397 3.071 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000247891857 455652102 /nfs/dbraw/zinc/65/21/02/455652102.db2.gz FMGZIKBXCHMYEK-OCCSQVGLSA-N 2 2 330.394 3.111 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000247891857 455652105 /nfs/dbraw/zinc/65/21/05/455652105.db2.gz FMGZIKBXCHMYEK-OCCSQVGLSA-N 2 2 330.394 3.111 20 0 EGADLP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248023568 455672194 /nfs/dbraw/zinc/67/21/94/455672194.db2.gz OHEMTYYIHBWFND-DYESRHJHSA-N 2 2 339.483 3.228 20 0 EGADLP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248023568 455672197 /nfs/dbraw/zinc/67/21/97/455672197.db2.gz OHEMTYYIHBWFND-DYESRHJHSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1ccc(OC(F)F)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277893075 455700326 /nfs/dbraw/zinc/70/03/26/455700326.db2.gz OOQMWJZFSAGIGB-OAHLLOKOSA-N 2 2 342.430 3.187 20 0 EGADLP Cc1ccc(OC(F)F)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277893075 455700333 /nfs/dbraw/zinc/70/03/33/455700333.db2.gz OOQMWJZFSAGIGB-OAHLLOKOSA-N 2 2 342.430 3.187 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268746910 455712213 /nfs/dbraw/zinc/71/22/13/455712213.db2.gz AYHILSFLDDGFRJ-DOXZYTNZSA-N 2 2 344.503 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268746910 455712221 /nfs/dbraw/zinc/71/22/21/455712221.db2.gz AYHILSFLDDGFRJ-DOXZYTNZSA-N 2 2 344.503 3.350 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268820696 455714692 /nfs/dbraw/zinc/71/46/92/455714692.db2.gz HMWQSQZSDZNSDL-ZKMOHVOUSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268820696 455714694 /nfs/dbraw/zinc/71/46/94/455714694.db2.gz HMWQSQZSDZNSDL-ZKMOHVOUSA-N 2 2 336.479 3.287 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938775 455737092 /nfs/dbraw/zinc/73/70/92/455737092.db2.gz SDQXPWKAGPQSIX-SJORKVTESA-N 2 2 343.437 3.382 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000268938775 455737098 /nfs/dbraw/zinc/73/70/98/455737098.db2.gz SDQXPWKAGPQSIX-SJORKVTESA-N 2 2 343.437 3.382 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cccs2)C[N@@H+]1Cc1ccccc1 ZINC000268963866 455746900 /nfs/dbraw/zinc/74/69/00/455746900.db2.gz GILQQGNACMKOPP-SZVBFZGTSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cccs2)C[N@H+]1Cc1ccccc1 ZINC000268963866 455746906 /nfs/dbraw/zinc/74/69/06/455746906.db2.gz GILQQGNACMKOPP-SZVBFZGTSA-N 2 2 330.497 3.208 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)CCc2ccccc2)CC1 ZINC000271798889 455763924 /nfs/dbraw/zinc/76/39/24/455763924.db2.gz KRLIIJNPABJWHO-QGZVFWFLSA-N 2 2 332.488 3.015 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)oc1C ZINC000292958040 455767539 /nfs/dbraw/zinc/76/75/39/455767539.db2.gz OWYJBAQHMPPELT-WWGRRREGSA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)oc1C ZINC000292958040 455767544 /nfs/dbraw/zinc/76/75/44/455767544.db2.gz OWYJBAQHMPPELT-WWGRRREGSA-N 2 2 331.416 3.215 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052690 455775907 /nfs/dbraw/zinc/77/59/07/455775907.db2.gz ZWMYHJASHLNBDI-FOIQADDNSA-N 2 2 347.934 3.377 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052690 455775911 /nfs/dbraw/zinc/77/59/11/455775911.db2.gz ZWMYHJASHLNBDI-FOIQADDNSA-N 2 2 347.934 3.377 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+](C)C ZINC000278265735 455800789 /nfs/dbraw/zinc/80/07/89/455800789.db2.gz YPGWBURIWBEZAC-SFHVURJKSA-N 2 2 340.471 3.411 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC[NH+](CC)CC1)CCC2 ZINC000278295565 455809922 /nfs/dbraw/zinc/80/99/22/455809922.db2.gz RGVWJXXPFMUNBU-OAHLLOKOSA-N 2 2 334.460 3.216 20 0 EGADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283183 455816427 /nfs/dbraw/zinc/81/64/27/455816427.db2.gz AQNGGVDMEVFTPD-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283183 455816431 /nfs/dbraw/zinc/81/64/31/455816431.db2.gz AQNGGVDMEVFTPD-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283183 455816434 /nfs/dbraw/zinc/81/64/34/455816434.db2.gz AQNGGVDMEVFTPD-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283183 455816439 /nfs/dbraw/zinc/81/64/39/455816439.db2.gz AQNGGVDMEVFTPD-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354507 455826947 /nfs/dbraw/zinc/82/69/47/455826947.db2.gz AZZDZEWQZFUVNI-QZTJIDSGSA-N 3 2 342.487 3.024 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354507 455826950 /nfs/dbraw/zinc/82/69/50/455826950.db2.gz AZZDZEWQZFUVNI-QZTJIDSGSA-N 3 2 342.487 3.024 20 0 EGADLP COc1cccc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)c1 ZINC000272187102 455870148 /nfs/dbraw/zinc/87/01/48/455870148.db2.gz GTIGMVFFGWKKGK-UHFFFAOYSA-N 2 2 337.467 3.334 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cc(F)cc2c1OCOC2 ZINC000285665946 455891806 /nfs/dbraw/zinc/89/18/06/455891806.db2.gz NCWNPSAQKJBNOA-UHFFFAOYSA-N 2 2 348.418 3.239 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cc(F)cc2c1OCOC2 ZINC000285665946 455891812 /nfs/dbraw/zinc/89/18/12/455891812.db2.gz NCWNPSAQKJBNOA-UHFFFAOYSA-N 2 2 348.418 3.239 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1cc(F)cc2c1OCOC2)Cc1ccco1 ZINC000285665946 455891821 /nfs/dbraw/zinc/89/18/21/455891821.db2.gz NCWNPSAQKJBNOA-UHFFFAOYSA-N 2 2 348.418 3.239 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000187369195 455901452 /nfs/dbraw/zinc/90/14/52/455901452.db2.gz LSYKFHCGTADRHB-NRSPTQNISA-N 2 2 328.500 3.151 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000187369195 455901458 /nfs/dbraw/zinc/90/14/58/455901458.db2.gz LSYKFHCGTADRHB-NRSPTQNISA-N 2 2 328.500 3.151 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000187392628 455904456 /nfs/dbraw/zinc/90/44/56/455904456.db2.gz POGDMOIKMWBRJD-HKUYNNGSSA-N 2 2 348.494 3.368 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000187392628 455904463 /nfs/dbraw/zinc/90/44/63/455904463.db2.gz POGDMOIKMWBRJD-HKUYNNGSSA-N 2 2 348.494 3.368 20 0 EGADLP C[C@H](c1ccncc1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285769726 455911749 /nfs/dbraw/zinc/91/17/49/455911749.db2.gz WSALMFPXTQNLQJ-LJQANCHMSA-N 2 2 338.499 3.287 20 0 EGADLP C[C@H](c1ccncc1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285769726 455911754 /nfs/dbraw/zinc/91/17/54/455911754.db2.gz WSALMFPXTQNLQJ-LJQANCHMSA-N 2 2 338.499 3.287 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)OCC(C)C)CC1 ZINC000280192442 455913242 /nfs/dbraw/zinc/91/32/42/455913242.db2.gz IBMMIUWSWAIOKS-UHFFFAOYSA-N 2 2 329.444 3.181 20 0 EGADLP C[C@H](CCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195051752 455917472 /nfs/dbraw/zinc/91/74/72/455917472.db2.gz NKUYYLKMLATUBA-YLJYHZDGSA-N 2 2 349.482 3.394 20 0 EGADLP C[C@H](CCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195051752 455917479 /nfs/dbraw/zinc/91/74/79/455917479.db2.gz NKUYYLKMLATUBA-YLJYHZDGSA-N 2 2 349.482 3.394 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261644311 455919988 /nfs/dbraw/zinc/91/99/88/455919988.db2.gz AMSCOICLKVIEHX-FCHUYYIVSA-N 2 2 346.478 3.322 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261644311 455919994 /nfs/dbraw/zinc/91/99/94/455919994.db2.gz AMSCOICLKVIEHX-FCHUYYIVSA-N 2 2 346.478 3.322 20 0 EGADLP C[NH+](CCC[N@@H+](C)C[C@@H](O)c1c(F)cccc1F)Cc1ccco1 ZINC000285832258 455925619 /nfs/dbraw/zinc/92/56/19/455925619.db2.gz WXJJRYRKVPMGSB-QGZVFWFLSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)C[C@@H](O)c1c(F)cccc1F)Cc1ccco1 ZINC000285832258 455925622 /nfs/dbraw/zinc/92/56/22/455925622.db2.gz WXJJRYRKVPMGSB-QGZVFWFLSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)c1c(F)cccc1F ZINC000285832258 455925624 /nfs/dbraw/zinc/92/56/24/455925624.db2.gz WXJJRYRKVPMGSB-QGZVFWFLSA-N 2 2 338.398 3.045 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)n1-c1ccccc1 ZINC000270316407 455927063 /nfs/dbraw/zinc/92/70/63/455927063.db2.gz WRNBLZSPMVZRPM-HXUWFJFHSA-N 2 2 339.414 3.317 20 0 EGADLP COc1cc(C)nc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000270367995 455940105 /nfs/dbraw/zinc/94/01/05/455940105.db2.gz YUUQDMQXFCWFBX-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1cc(C)nc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000270367995 455940108 /nfs/dbraw/zinc/94/01/08/455940108.db2.gz YUUQDMQXFCWFBX-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1cc(C)nc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000270367995 455940112 /nfs/dbraw/zinc/94/01/12/455940112.db2.gz YUUQDMQXFCWFBX-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1cc(C)nc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000270367995 455940117 /nfs/dbraw/zinc/94/01/17/455940117.db2.gz YUUQDMQXFCWFBX-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000261878588 455963810 /nfs/dbraw/zinc/96/38/10/455963810.db2.gz QMDULHHFUAGDTC-HOCLYGCPSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N)s2)CC[N@H+]1Cc1ccccc1 ZINC000261878588 455963815 /nfs/dbraw/zinc/96/38/15/455963815.db2.gz QMDULHHFUAGDTC-HOCLYGCPSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878588 455963823 /nfs/dbraw/zinc/96/38/23/455963823.db2.gz QMDULHHFUAGDTC-HOCLYGCPSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878588 455963828 /nfs/dbraw/zinc/96/38/28/455963828.db2.gz QMDULHHFUAGDTC-HOCLYGCPSA-N 2 2 330.501 3.210 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262003930 455983491 /nfs/dbraw/zinc/98/34/91/455983491.db2.gz LNUPEDYLUGJTPJ-SFHVURJKSA-N 2 2 329.469 3.004 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000262003930 455983499 /nfs/dbraw/zinc/98/34/99/455983499.db2.gz LNUPEDYLUGJTPJ-SFHVURJKSA-N 2 2 329.469 3.004 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000270569876 455984485 /nfs/dbraw/zinc/98/44/85/455984485.db2.gz MVTOIIOOSLTYSO-INIZCTEOSA-N 2 2 342.468 3.120 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262038181 455988949 /nfs/dbraw/zinc/98/89/49/455988949.db2.gz OVRNMVQCWJYGBY-DYESRHJHSA-N 2 2 346.478 3.377 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262038181 455988951 /nfs/dbraw/zinc/98/89/51/455988951.db2.gz OVRNMVQCWJYGBY-DYESRHJHSA-N 2 2 346.478 3.377 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262038187 455989112 /nfs/dbraw/zinc/98/91/12/455989112.db2.gz OVRNMVQCWJYGBY-UTKZUKDTSA-N 2 2 346.478 3.377 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262038187 455989115 /nfs/dbraw/zinc/98/91/15/455989115.db2.gz OVRNMVQCWJYGBY-UTKZUKDTSA-N 2 2 346.478 3.377 20 0 EGADLP COc1cc(C[N@@H+](C)CCn2cc[nH+]c2C)c(SC)cc1OC ZINC000270618041 455997225 /nfs/dbraw/zinc/99/72/25/455997225.db2.gz CTSJPTUASKBPJX-UHFFFAOYSA-N 2 2 335.473 3.063 20 0 EGADLP COc1ccc(C[N@@H+](CCc2ccccn2)CCn2cc[nH+]c2)cc1 ZINC000280633556 456018392 /nfs/dbraw/zinc/01/83/92/456018392.db2.gz XQSUQSALDYWCBX-UHFFFAOYSA-N 2 2 336.439 3.032 20 0 EGADLP COc1ccc(C[N@H+](CCc2ccccn2)CCn2cc[nH+]c2)cc1 ZINC000280633556 456018395 /nfs/dbraw/zinc/01/83/95/456018395.db2.gz XQSUQSALDYWCBX-UHFFFAOYSA-N 2 2 336.439 3.032 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188282785 456036094 /nfs/dbraw/zinc/03/60/94/456036094.db2.gz UMVBZRFNDTZDLI-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188282785 456036102 /nfs/dbraw/zinc/03/61/02/456036102.db2.gz UMVBZRFNDTZDLI-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)cc1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188282785 456036109 /nfs/dbraw/zinc/03/61/09/456036109.db2.gz UMVBZRFNDTZDLI-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)cc1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188282785 456036115 /nfs/dbraw/zinc/03/61/15/456036115.db2.gz UMVBZRFNDTZDLI-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP c1nc(NC2CC[NH+](C3CCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000301490147 456129551 /nfs/dbraw/zinc/12/95/51/456129551.db2.gz AKIGGDDUTBGCAS-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP c1nc(N2CCCCC2)cc(NC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000301490147 456129558 /nfs/dbraw/zinc/12/95/58/456129558.db2.gz AKIGGDDUTBGCAS-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP CC[NH+]1CCN(Cc2ccccc2CNc2cc[nH+]cc2Cl)CC1 ZINC000301504755 456131498 /nfs/dbraw/zinc/13/14/98/456131498.db2.gz IFZWPWCNYWYFSX-UHFFFAOYSA-N 2 2 344.890 3.485 20 0 EGADLP CCN1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2Cl)CC1 ZINC000301504755 456131504 /nfs/dbraw/zinc/13/15/04/456131504.db2.gz IFZWPWCNYWYFSX-UHFFFAOYSA-N 2 2 344.890 3.485 20 0 EGADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc[nH+]cc1Cl ZINC000301530533 456139864 /nfs/dbraw/zinc/13/98/64/456139864.db2.gz HLOSTAQKFAWBJM-HNNXBMFYSA-N 2 2 330.863 3.358 20 0 EGADLP Cc1cc(NC(=O)C2CC[NH+](C)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000273036308 456154492 /nfs/dbraw/zinc/15/44/92/456154492.db2.gz UMRLRMVGPOEYTB-OAHLLOKOSA-N 2 2 330.476 3.049 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281233606 456173138 /nfs/dbraw/zinc/17/31/38/456173138.db2.gz VTRWGDANIQWMDX-UHFFFAOYSA-N 2 2 342.487 3.187 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281233606 456173142 /nfs/dbraw/zinc/17/31/42/456173142.db2.gz VTRWGDANIQWMDX-UHFFFAOYSA-N 2 2 342.487 3.187 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)N1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000236783225 456184377 /nfs/dbraw/zinc/18/43/77/456184377.db2.gz ZEVQMFXLASVPJC-INIZCTEOSA-N 2 2 342.487 3.280 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236846454 456191985 /nfs/dbraw/zinc/19/19/85/456191985.db2.gz VSFFOUANYUBHRZ-ZWKOTPCHSA-N 2 2 331.504 3.045 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000236846454 456191987 /nfs/dbraw/zinc/19/19/87/456191987.db2.gz VSFFOUANYUBHRZ-ZWKOTPCHSA-N 2 2 331.504 3.045 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(NCC2CC2)[nH+]cn1)c1ccc(F)cc1 ZINC000301802515 456218230 /nfs/dbraw/zinc/21/82/30/456218230.db2.gz AGFQHPGHBZOQAO-MRXNPFEDSA-N 2 2 329.423 3.152 20 0 EGADLP C[C@@H](O)c1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085648 456235985 /nfs/dbraw/zinc/23/59/85/456235985.db2.gz QYMZZZWDQVMYFT-NVXWUHKLSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@@H](O)c1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085648 456235994 /nfs/dbraw/zinc/23/59/94/456235994.db2.gz QYMZZZWDQVMYFT-NVXWUHKLSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@@H](O)c1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085648 456236000 /nfs/dbraw/zinc/23/60/00/456236000.db2.gz QYMZZZWDQVMYFT-NVXWUHKLSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@@H](O)c1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085648 456236010 /nfs/dbraw/zinc/23/60/10/456236010.db2.gz QYMZZZWDQVMYFT-NVXWUHKLSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085643 456236359 /nfs/dbraw/zinc/23/63/59/456236359.db2.gz QYMZZZWDQVMYFT-DOTOQJQBSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085643 456236366 /nfs/dbraw/zinc/23/63/66/456236366.db2.gz QYMZZZWDQVMYFT-DOTOQJQBSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@H](O)c1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085643 456236374 /nfs/dbraw/zinc/23/63/74/456236374.db2.gz QYMZZZWDQVMYFT-DOTOQJQBSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@H](O)c1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085643 456236379 /nfs/dbraw/zinc/23/63/79/456236379.db2.gz QYMZZZWDQVMYFT-DOTOQJQBSA-N 2 2 345.512 3.150 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000297513829 456240288 /nfs/dbraw/zinc/24/02/88/456240288.db2.gz CSFFMGWTAKCZHC-HKUYNNGSSA-N 2 2 326.488 3.118 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000297513829 456240290 /nfs/dbraw/zinc/24/02/90/456240290.db2.gz CSFFMGWTAKCZHC-HKUYNNGSSA-N 2 2 326.488 3.118 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000302064315 456278690 /nfs/dbraw/zinc/27/86/90/456278690.db2.gz VIBLCMUCYDFYAS-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070425 456279958 /nfs/dbraw/zinc/27/99/58/456279958.db2.gz DYCSMMQENONMQJ-BEFAXECRSA-N 2 2 326.488 3.117 20 0 EGADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070425 456279960 /nfs/dbraw/zinc/27/99/60/456279960.db2.gz DYCSMMQENONMQJ-BEFAXECRSA-N 2 2 326.488 3.117 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc3occc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000352760196 456282166 /nfs/dbraw/zinc/28/21/66/456282166.db2.gz ADNIJJFZXDSWHI-OAQYLSRUSA-N 2 2 336.435 3.159 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc3occc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000352760196 456282172 /nfs/dbraw/zinc/28/21/72/456282172.db2.gz ADNIJJFZXDSWHI-OAQYLSRUSA-N 2 2 336.435 3.159 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1c(Cl)cnn1C ZINC000275681311 456286007 /nfs/dbraw/zinc/28/60/07/456286007.db2.gz HBNKLMBCQMDBCM-CQSZACIVSA-N 2 2 343.862 3.396 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1c(Cl)cnn1C ZINC000275681311 456286012 /nfs/dbraw/zinc/28/60/12/456286012.db2.gz HBNKLMBCQMDBCM-CQSZACIVSA-N 2 2 343.862 3.396 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2OCC2CC2)s1 ZINC000352777831 456298871 /nfs/dbraw/zinc/29/88/71/456298871.db2.gz VBFPVZXFKICMNB-UHFFFAOYSA-N 2 2 331.485 3.283 20 0 EGADLP C[NH+](C)C1(CN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc2C1 ZINC000275811903 456319500 /nfs/dbraw/zinc/31/95/00/456319500.db2.gz FHDUUNBHCRJWTA-HXUWFJFHSA-N 2 2 346.478 3.188 20 0 EGADLP CCN(CC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1C ZINC000352812748 456330380 /nfs/dbraw/zinc/33/03/80/456330380.db2.gz HQMCFQSSYQZLEP-UHFFFAOYSA-N 2 2 332.517 3.129 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000352829935 456344393 /nfs/dbraw/zinc/34/43/93/456344393.db2.gz ITVATKBGLQKVNG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000352829935 456344395 /nfs/dbraw/zinc/34/43/95/456344395.db2.gz ITVATKBGLQKVNG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829935 456344398 /nfs/dbraw/zinc/34/43/98/456344398.db2.gz ITVATKBGLQKVNG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829935 456344401 /nfs/dbraw/zinc/34/44/01/456344401.db2.gz ITVATKBGLQKVNG-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000352835182 456349785 /nfs/dbraw/zinc/34/97/85/456349785.db2.gz KHEDAXVVHHAGQO-DVWBAYGPSA-N 2 2 328.500 3.204 20 0 EGADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000352835182 456349792 /nfs/dbraw/zinc/34/97/92/456349792.db2.gz KHEDAXVVHHAGQO-DVWBAYGPSA-N 2 2 328.500 3.204 20 0 EGADLP COc1ccc2cc(C[NH2+][C@H](C)CC[NH+]3CCOCC3)ccc2c1 ZINC000347798263 456373920 /nfs/dbraw/zinc/37/39/20/456373920.db2.gz HKSXWCLKGXPDDZ-MRXNPFEDSA-N 2 2 328.456 3.049 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC1CC[NH+](C)CC1 ZINC000302830549 456413303 /nfs/dbraw/zinc/41/33/03/456413303.db2.gz QCHIOVPSYDAXDX-UHFFFAOYSA-N 2 2 327.428 3.165 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1 ZINC000282267391 456461985 /nfs/dbraw/zinc/46/19/85/456461985.db2.gz KICMVVUTMSMTCL-WMLDXEAASA-N 2 2 326.444 3.101 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455252 456469754 /nfs/dbraw/zinc/46/97/54/456469754.db2.gz LEKMOOBCJMGEBR-SUNYJGFJSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455252 456469761 /nfs/dbraw/zinc/46/97/61/456469761.db2.gz LEKMOOBCJMGEBR-SUNYJGFJSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccncc1F ZINC000340474606 456481482 /nfs/dbraw/zinc/48/14/82/456481482.db2.gz KMVYITZUFWPITQ-HZPDHXFCSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1F ZINC000340474606 456481485 /nfs/dbraw/zinc/48/14/85/456481485.db2.gz KMVYITZUFWPITQ-HZPDHXFCSA-N 2 2 343.446 3.292 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000291053076 456510963 /nfs/dbraw/zinc/51/09/63/456510963.db2.gz NNFXZLATHQEDND-INIZCTEOSA-N 2 2 336.501 3.133 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187924 456524377 /nfs/dbraw/zinc/52/43/77/456524377.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187924 456524381 /nfs/dbraw/zinc/52/43/81/456524381.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187924 456524385 /nfs/dbraw/zinc/52/43/85/456524385.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187924 456524388 /nfs/dbraw/zinc/52/43/88/456524388.db2.gz QJUKWVSUVJPKRZ-FGZHOGPDSA-N 3 2 341.543 3.459 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000291227386 456571011 /nfs/dbraw/zinc/57/10/11/456571011.db2.gz SWWASNYNKXBAFA-VYDXJSESSA-N 2 2 327.476 3.071 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000291227386 456571017 /nfs/dbraw/zinc/57/10/17/456571017.db2.gz SWWASNYNKXBAFA-VYDXJSESSA-N 2 2 327.476 3.071 20 0 EGADLP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccccc2Cl)n1 ZINC000353223792 456571620 /nfs/dbraw/zinc/57/16/20/456571620.db2.gz UJDNRRIZZOKFTC-CYBMUJFWSA-N 2 2 341.846 3.111 20 0 EGADLP Cn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccccc2Cl)n1 ZINC000353223792 456571626 /nfs/dbraw/zinc/57/16/26/456571626.db2.gz UJDNRRIZZOKFTC-CYBMUJFWSA-N 2 2 341.846 3.111 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2cccs2)CC1 ZINC000276778797 456576784 /nfs/dbraw/zinc/57/67/84/456576784.db2.gz ZBGZNWKPAOPGBH-APHBUQMISA-N 2 2 344.484 3.074 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000353305023 456626441 /nfs/dbraw/zinc/62/64/41/456626441.db2.gz ADZGLENJDHSWTA-YOEHRIQHSA-N 2 2 338.492 3.045 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)cc1 ZINC000282907869 456661345 /nfs/dbraw/zinc/66/13/45/456661345.db2.gz XETVCVBVASIIPL-AWEZNQCLSA-N 2 2 338.459 3.378 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3nccnc23)Cc2ccccc2)CC1 ZINC000291521223 456668497 /nfs/dbraw/zinc/66/84/97/456668497.db2.gz JCZIHHSQNNXHFM-UHFFFAOYSA-N 2 2 335.455 3.054 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3nccnc23)Cc2ccccc2)CC1 ZINC000291521223 456668505 /nfs/dbraw/zinc/66/85/05/456668505.db2.gz JCZIHHSQNNXHFM-UHFFFAOYSA-N 2 2 335.455 3.054 20 0 EGADLP c1ccc(C(c2ccccc2)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000283143435 456720606 /nfs/dbraw/zinc/72/06/06/456720606.db2.gz ODCTWXINWRZZIH-IBGZPJMESA-N 2 2 336.479 3.430 20 0 EGADLP c1ccc(C(c2ccccc2)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000283143435 456720610 /nfs/dbraw/zinc/72/06/10/456720610.db2.gz ODCTWXINWRZZIH-IBGZPJMESA-N 2 2 336.479 3.430 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902033 456749092 /nfs/dbraw/zinc/74/90/92/456749092.db2.gz SSCCUIVRDZPBIX-HOCLYGCPSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902033 456749100 /nfs/dbraw/zinc/74/91/00/456749100.db2.gz SSCCUIVRDZPBIX-HOCLYGCPSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000340902033 456749102 /nfs/dbraw/zinc/74/91/02/456749102.db2.gz SSCCUIVRDZPBIX-HOCLYGCPSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000340902033 456749108 /nfs/dbraw/zinc/74/91/08/456749108.db2.gz SSCCUIVRDZPBIX-HOCLYGCPSA-N 2 2 334.460 3.099 20 0 EGADLP Nc1[nH+]cnc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1Cl ZINC000277281183 456759035 /nfs/dbraw/zinc/75/90/35/456759035.db2.gz AXSOTUPNZNXBQC-NSHDSACASA-N 2 2 337.880 3.098 20 0 EGADLP Nc1[nH+]cnc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1Cl ZINC000277281183 456759042 /nfs/dbraw/zinc/75/90/42/456759042.db2.gz AXSOTUPNZNXBQC-NSHDSACASA-N 2 2 337.880 3.098 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1OCCc2sccc21 ZINC000291807923 456764832 /nfs/dbraw/zinc/76/48/32/456764832.db2.gz XXNWPUJVQNMTEL-FZKQIMNGSA-N 2 2 340.452 3.121 20 0 EGADLP CCc1ccc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000301192699 456819569 /nfs/dbraw/zinc/81/95/69/456819569.db2.gz XJJYOPSSZNFUQR-GOSISDBHSA-N 2 2 339.487 3.354 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000344469333 456829751 /nfs/dbraw/zinc/82/97/51/456829751.db2.gz BKDOSNVGOQGTDN-DBXWQHBBSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000344469333 456829754 /nfs/dbraw/zinc/82/97/54/456829754.db2.gz BKDOSNVGOQGTDN-DBXWQHBBSA-N 3 2 340.515 3.328 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CO2 ZINC000341286047 456832984 /nfs/dbraw/zinc/83/29/84/456832984.db2.gz RCZKCRUFDMBMLV-GOSISDBHSA-N 2 2 343.858 3.423 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000338992765 456890813 /nfs/dbraw/zinc/89/08/13/456890813.db2.gz NFOIZDQBCDWXDW-SFHVURJKSA-N 2 2 345.531 3.312 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000338992765 456890818 /nfs/dbraw/zinc/89/08/18/456890818.db2.gz NFOIZDQBCDWXDW-SFHVURJKSA-N 2 2 345.531 3.312 20 0 EGADLP Cc1ccc(CCCNc2ccc(NC(=O)CC[NH+](C)C)cc2)c[nH+]1 ZINC000353787860 456906594 /nfs/dbraw/zinc/90/65/94/456906594.db2.gz AUCWVTRARAJAIC-UHFFFAOYSA-N 2 2 340.471 3.325 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(F)c1Cl ZINC000339044189 456914380 /nfs/dbraw/zinc/91/43/80/456914380.db2.gz LFBMJRGIGDPVLE-VNQPRFMTSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(F)c1Cl ZINC000339044189 456914382 /nfs/dbraw/zinc/91/43/82/456914382.db2.gz LFBMJRGIGDPVLE-VNQPRFMTSA-N 2 2 326.843 3.163 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000353815911 456919901 /nfs/dbraw/zinc/91/99/01/456919901.db2.gz DYGYJLWKOAMREE-HGKSCXNLSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000353815911 456919904 /nfs/dbraw/zinc/91/99/04/456919904.db2.gz DYGYJLWKOAMREE-HGKSCXNLSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@H](CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1)[NH+](C)C ZINC000341749774 456926528 /nfs/dbraw/zinc/92/65/28/456926528.db2.gz PEHOTAOZYLJZON-OAHLLOKOSA-N 2 2 342.487 3.150 20 0 EGADLP C[C@@H]1CN(Cc2cc(Cl)ccc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349315191 456938983 /nfs/dbraw/zinc/93/89/83/456938983.db2.gz KXFBPADTTNFWGW-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2cc(Cl)ccc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349315191 456938988 /nfs/dbraw/zinc/93/89/88/456938988.db2.gz KXFBPADTTNFWGW-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP CCn1cc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cn1 ZINC000349358638 456952152 /nfs/dbraw/zinc/95/21/52/456952152.db2.gz XXAYIRKUDATHEX-UHFFFAOYSA-N 2 2 343.862 3.455 20 0 EGADLP CCn1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cn1 ZINC000349358638 456952158 /nfs/dbraw/zinc/95/21/58/456952158.db2.gz XXAYIRKUDATHEX-UHFFFAOYSA-N 2 2 343.862 3.455 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000341808905 456953924 /nfs/dbraw/zinc/95/39/24/456953924.db2.gz PYYANDNVNMCVQJ-FQEVSTJZSA-N 2 2 337.467 3.440 20 0 EGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OCC(C)C ZINC000349407480 456963102 /nfs/dbraw/zinc/96/31/02/456963102.db2.gz NSRMNQMOLFEFHO-UHFFFAOYSA-N 2 2 331.460 3.449 20 0 EGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OCC(C)C ZINC000349407480 456963106 /nfs/dbraw/zinc/96/31/06/456963106.db2.gz NSRMNQMOLFEFHO-UHFFFAOYSA-N 2 2 331.460 3.449 20 0 EGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353918282 456965061 /nfs/dbraw/zinc/96/50/61/456965061.db2.gz SXQZUZJMMKORKL-RTBURBONSA-N 2 2 327.472 3.269 20 0 EGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353954625 456978470 /nfs/dbraw/zinc/97/84/70/456978470.db2.gz KDRBGPFBXAUMRX-DWBSNAHUSA-N 2 2 335.536 3.019 20 0 EGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353954625 456978473 /nfs/dbraw/zinc/97/84/73/456978473.db2.gz KDRBGPFBXAUMRX-DWBSNAHUSA-N 2 2 335.536 3.019 20 0 EGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353954626 456978482 /nfs/dbraw/zinc/97/84/82/456978482.db2.gz KDRBGPFBXAUMRX-YGPBLSMFSA-N 2 2 335.536 3.019 20 0 EGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353954626 456978486 /nfs/dbraw/zinc/97/84/86/456978486.db2.gz KDRBGPFBXAUMRX-YGPBLSMFSA-N 2 2 335.536 3.019 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000339180540 456979498 /nfs/dbraw/zinc/97/94/98/456979498.db2.gz CBAAOWHUEXIJDJ-FQEVSTJZSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000339180540 456979503 /nfs/dbraw/zinc/97/95/03/456979503.db2.gz CBAAOWHUEXIJDJ-FQEVSTJZSA-N 2 2 344.886 3.157 20 0 EGADLP CC[C@@H](CSC)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901260 456992775 /nfs/dbraw/zinc/99/27/75/456992775.db2.gz BUMNFQPISHVPSU-OALUTQOASA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@@H](CSC)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901260 456992781 /nfs/dbraw/zinc/99/27/81/456992781.db2.gz BUMNFQPISHVPSU-OALUTQOASA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@@H](CSC)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341901260 456992784 /nfs/dbraw/zinc/99/27/84/456992784.db2.gz BUMNFQPISHVPSU-OALUTQOASA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@@H](CSC)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341901260 456992788 /nfs/dbraw/zinc/99/27/88/456992788.db2.gz BUMNFQPISHVPSU-OALUTQOASA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cc(O)cc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000349615276 456995890 /nfs/dbraw/zinc/99/58/90/456995890.db2.gz VHZRDIDMWRODAW-IBGZPJMESA-N 2 2 328.431 3.458 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cc(O)cc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000349615276 456995896 /nfs/dbraw/zinc/99/58/96/456995896.db2.gz VHZRDIDMWRODAW-IBGZPJMESA-N 2 2 328.431 3.458 20 0 EGADLP COC1CCC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000349717989 457025688 /nfs/dbraw/zinc/02/56/88/457025688.db2.gz DTWIYQBDVSTWQM-SDEKRAFDSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000349717989 457025692 /nfs/dbraw/zinc/02/56/92/457025692.db2.gz DTWIYQBDVSTWQM-SDEKRAFDSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1ccn2c(CN3CC[NH+](CCc4ccccc4)CC3)c[nH+]c2c1 ZINC000349748462 457037331 /nfs/dbraw/zinc/03/73/31/457037331.db2.gz MFDCOLRAAQSCKR-UHFFFAOYSA-N 2 2 334.467 3.003 20 0 EGADLP COC1CCC(C)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000359002812 457044723 /nfs/dbraw/zinc/04/47/23/457044723.db2.gz PQAPUSGBCCSTJT-MAKTXDPSSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000359002812 457044731 /nfs/dbraw/zinc/04/47/31/457044731.db2.gz PQAPUSGBCCSTJT-MAKTXDPSSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[NH+](CCc4ccccc4)CC3)n2c1 ZINC000349768745 457045168 /nfs/dbraw/zinc/04/51/68/457045168.db2.gz SRLYBPMDTUYFJP-UHFFFAOYSA-N 2 2 334.467 3.003 20 0 EGADLP CN(Cc1ccc(F)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362720184 457060261 /nfs/dbraw/zinc/06/02/61/457060261.db2.gz SVGIRFYISPBCIE-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1ccc(F)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362720184 457060266 /nfs/dbraw/zinc/06/02/66/457060266.db2.gz SVGIRFYISPBCIE-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362720184 457060268 /nfs/dbraw/zinc/06/02/68/457060268.db2.gz SVGIRFYISPBCIE-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362720184 457060274 /nfs/dbraw/zinc/06/02/74/457060274.db2.gz SVGIRFYISPBCIE-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cnc21 ZINC000354100427 457061515 /nfs/dbraw/zinc/06/15/15/457061515.db2.gz MLACCURLLHHIRW-QGZVFWFLSA-N 2 2 341.503 3.176 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cnc21 ZINC000354100427 457061522 /nfs/dbraw/zinc/06/15/22/457061522.db2.gz MLACCURLLHHIRW-QGZVFWFLSA-N 2 2 341.503 3.176 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cnc21 ZINC000354100427 457061529 /nfs/dbraw/zinc/06/15/29/457061529.db2.gz MLACCURLLHHIRW-QGZVFWFLSA-N 2 2 341.503 3.176 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cnc21 ZINC000354100427 457061536 /nfs/dbraw/zinc/06/15/36/457061536.db2.gz MLACCURLLHHIRW-QGZVFWFLSA-N 2 2 341.503 3.176 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000346591365 457063684 /nfs/dbraw/zinc/06/36/84/457063684.db2.gz QDUSMHYJEUMFBI-IRXDYDNUSA-N 2 2 348.450 3.069 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000346591365 457063692 /nfs/dbraw/zinc/06/36/92/457063692.db2.gz QDUSMHYJEUMFBI-IRXDYDNUSA-N 2 2 348.450 3.069 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000339358373 457065454 /nfs/dbraw/zinc/06/54/54/457065454.db2.gz GTTAEZRBIOAMBE-GBESFXJTSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000339358373 457065459 /nfs/dbraw/zinc/06/54/59/457065459.db2.gz GTTAEZRBIOAMBE-GBESFXJTSA-N 2 2 349.563 3.077 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC(F)F ZINC000354166222 457104010 /nfs/dbraw/zinc/10/40/10/457104010.db2.gz KIDDJWAASKBXEY-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC(F)F ZINC000354166222 457104017 /nfs/dbraw/zinc/10/40/17/457104017.db2.gz KIDDJWAASKBXEY-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC(F)F ZINC000354166222 457104024 /nfs/dbraw/zinc/10/40/24/457104024.db2.gz KIDDJWAASKBXEY-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC(F)F ZINC000354166222 457104028 /nfs/dbraw/zinc/10/40/28/457104028.db2.gz KIDDJWAASKBXEY-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000359669416 457108063 /nfs/dbraw/zinc/10/80/63/457108063.db2.gz CRJRNXUSFCMDAH-YRNRMSPPSA-N 2 2 332.488 3.162 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000359669416 457108067 /nfs/dbraw/zinc/10/80/67/457108067.db2.gz CRJRNXUSFCMDAH-YRNRMSPPSA-N 2 2 332.488 3.162 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432529 457115122 /nfs/dbraw/zinc/11/51/22/457115122.db2.gz ATVGFJSJGGOXTQ-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432529 457115131 /nfs/dbraw/zinc/11/51/31/457115131.db2.gz ATVGFJSJGGOXTQ-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000339432529 457115134 /nfs/dbraw/zinc/11/51/34/457115134.db2.gz ATVGFJSJGGOXTQ-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000339432529 457115139 /nfs/dbraw/zinc/11/51/39/457115139.db2.gz ATVGFJSJGGOXTQ-NQIIRXRSSA-N 2 2 343.515 3.357 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693501 457115361 /nfs/dbraw/zinc/11/53/61/457115361.db2.gz NKQUXSBGDNZSBM-KOLCDFICSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000346693501 457115366 /nfs/dbraw/zinc/11/53/66/457115366.db2.gz NKQUXSBGDNZSBM-KOLCDFICSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H]([NH2+]CC2([NH3+])CCC2)c2ccccc2)c1 ZINC000342125186 457121271 /nfs/dbraw/zinc/12/12/71/457121271.db2.gz DBGWAGMZDOYDAY-IBGZPJMESA-N 2 2 337.467 3.454 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354203519 457127820 /nfs/dbraw/zinc/12/78/20/457127820.db2.gz BWMJHMXYYZGMOB-SJLPKXTDSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354203519 457127822 /nfs/dbraw/zinc/12/78/22/457127822.db2.gz BWMJHMXYYZGMOB-SJLPKXTDSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354203519 457127826 /nfs/dbraw/zinc/12/78/26/457127826.db2.gz BWMJHMXYYZGMOB-SJLPKXTDSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354203519 457127828 /nfs/dbraw/zinc/12/78/28/457127828.db2.gz BWMJHMXYYZGMOB-SJLPKXTDSA-N 2 2 331.504 3.301 20 0 EGADLP CS[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(C)(C)C ZINC000342159919 457141586 /nfs/dbraw/zinc/14/15/86/457141586.db2.gz KJXOJNOTVRXBHR-AWEZNQCLSA-N 2 2 342.472 3.400 20 0 EGADLP CC[N@H+](CC(=O)N[C@H](C)C[NH+](C)C(C)C)Cc1ccccc1Cl ZINC000356739145 457144102 /nfs/dbraw/zinc/14/41/02/457144102.db2.gz JFVZPCRNTZLPCH-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP CC[N@@H+](CC(=O)N[C@H](C)C[NH+](C)C(C)C)Cc1ccccc1Cl ZINC000356739145 457144109 /nfs/dbraw/zinc/14/41/09/457144109.db2.gz JFVZPCRNTZLPCH-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP CC[NH+](CC(=O)N[C@H](C)C[N@H+](C)C(C)C)Cc1ccccc1Cl ZINC000356739145 457144114 /nfs/dbraw/zinc/14/41/14/457144114.db2.gz JFVZPCRNTZLPCH-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP CC[NH+](CC(=O)N[C@H](C)C[N@@H+](C)C(C)C)Cc1ccccc1Cl ZINC000356739145 457144119 /nfs/dbraw/zinc/14/41/19/457144119.db2.gz JFVZPCRNTZLPCH-OAHLLOKOSA-N 2 2 339.911 3.007 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000339586939 457157828 /nfs/dbraw/zinc/15/78/28/457157828.db2.gz NYILKISAAROEMQ-JKSUJKDBSA-N 2 2 325.859 3.072 20 0 EGADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC(C)(C)C1 ZINC000356795196 457170919 /nfs/dbraw/zinc/17/09/19/457170919.db2.gz XOWAGKFQNSYOKG-SQNIBIBYSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC(C)(C)C1 ZINC000356795196 457170927 /nfs/dbraw/zinc/17/09/27/457170927.db2.gz XOWAGKFQNSYOKG-SQNIBIBYSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044572 457201423 /nfs/dbraw/zinc/20/14/23/457201423.db2.gz NHZUEKYIDMVZQE-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044572 457201426 /nfs/dbraw/zinc/20/14/26/457201426.db2.gz NHZUEKYIDMVZQE-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000356893155 457204057 /nfs/dbraw/zinc/20/40/57/457204057.db2.gz IJZWIPVEGLGQOL-AWEZNQCLSA-N 2 2 336.442 3.182 20 0 EGADLP COC1(C[NH2+]C[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CCOCC1 ZINC000342297996 457221441 /nfs/dbraw/zinc/22/14/41/457221441.db2.gz KVMIDDMFQSSWIK-HXUWFJFHSA-N 2 2 348.531 3.273 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC4(CCOCC4)[C@@H]3C3CC3)c2)c[nH+]1 ZINC000354440362 457222698 /nfs/dbraw/zinc/22/26/98/457222698.db2.gz XINCBEVLWBPYKS-KRWDZBQOSA-N 2 2 329.469 3.325 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC4(CCOCC4)[C@@H]3C3CC3)c2)c[nH+]1 ZINC000354440362 457222703 /nfs/dbraw/zinc/22/27/03/457222703.db2.gz XINCBEVLWBPYKS-KRWDZBQOSA-N 2 2 329.469 3.325 20 0 EGADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NCCCC1CCCCC1 ZINC000347090084 457224854 /nfs/dbraw/zinc/22/48/54/457224854.db2.gz PKGCVENVTWEWDU-IBGZPJMESA-N 2 2 345.487 3.011 20 0 EGADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NCCCC1CCCCC1 ZINC000347090084 457224862 /nfs/dbraw/zinc/22/48/62/457224862.db2.gz PKGCVENVTWEWDU-IBGZPJMESA-N 2 2 345.487 3.011 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347100470 457229897 /nfs/dbraw/zinc/22/98/97/457229897.db2.gz JSEFYLUVRCMBTM-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347100470 457229905 /nfs/dbraw/zinc/22/99/05/457229905.db2.gz JSEFYLUVRCMBTM-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347105220 457231803 /nfs/dbraw/zinc/23/18/03/457231803.db2.gz LRZHTQVQYWKMFW-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347105220 457231807 /nfs/dbraw/zinc/23/18/07/457231807.db2.gz LRZHTQVQYWKMFW-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP Cc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(N2CCOCC2)c1 ZINC000354458851 457237186 /nfs/dbraw/zinc/23/71/86/457237186.db2.gz JHWDUNFRHIRNPU-UHFFFAOYSA-N 2 2 339.483 3.257 20 0 EGADLP Cc1ccncc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000354500296 457259191 /nfs/dbraw/zinc/25/91/91/457259191.db2.gz LHCWBWUNXCCAHV-UHFFFAOYSA-N 2 2 344.890 3.085 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000332073321 457298284 /nfs/dbraw/zinc/29/82/84/457298284.db2.gz WWHBBIHXYANJOK-BZUAXINKSA-N 2 2 345.491 3.031 20 0 EGADLP CC(C)[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCO1 ZINC000347270044 457322426 /nfs/dbraw/zinc/32/24/26/457322426.db2.gz KMWVSAXIJBUKLR-LPHOPBHVSA-N 2 2 346.519 3.228 20 0 EGADLP COc1ccc(C[C@@H](C)C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1F ZINC000355730552 457407052 /nfs/dbraw/zinc/40/70/52/457407052.db2.gz ROGVCPGZZZITSK-RDTXWAMCSA-N 2 2 340.508 3.040 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000352503988 457423812 /nfs/dbraw/zinc/42/38/12/457423812.db2.gz LYQHXZLOGMBBCB-MRXNPFEDSA-N 2 2 342.462 3.203 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000352503988 457423815 /nfs/dbraw/zinc/42/38/15/457423815.db2.gz LYQHXZLOGMBBCB-MRXNPFEDSA-N 2 2 342.462 3.203 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](c4ccco4)C3)c2cc1C ZINC000374003375 457434760 /nfs/dbraw/zinc/43/47/60/457434760.db2.gz PNRPRCBQJDQAAT-IAGOWNOFSA-N 2 2 339.439 3.097 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](c4ccco4)C3)c2cc1C ZINC000374003375 457434767 /nfs/dbraw/zinc/43/47/67/457434767.db2.gz PNRPRCBQJDQAAT-IAGOWNOFSA-N 2 2 339.439 3.097 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)Cc3cn4ccccc4[nH+]3)cc2)c1C ZINC000360930014 457439721 /nfs/dbraw/zinc/43/97/21/457439721.db2.gz GLDAFQGQUIOESW-UHFFFAOYSA-N 2 2 345.406 3.318 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccco3)o2)[nH+]1 ZINC000369899656 457451132 /nfs/dbraw/zinc/45/11/32/457451132.db2.gz IXYNWXBEBVUSRK-CQSZACIVSA-N 2 2 339.399 3.110 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nnc(-c3ccco3)o2)[nH+]1 ZINC000369899656 457451138 /nfs/dbraw/zinc/45/11/38/457451138.db2.gz IXYNWXBEBVUSRK-CQSZACIVSA-N 2 2 339.399 3.110 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000360945458 457452863 /nfs/dbraw/zinc/45/28/63/457452863.db2.gz DZJDRCJGXMYJDI-GOEBONIOSA-N 2 2 332.448 3.320 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000357364351 457474600 /nfs/dbraw/zinc/47/46/00/457474600.db2.gz MHHRTYCYMQICCP-DLBZAZTESA-N 2 2 332.492 3.119 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)cn1 ZINC000398005895 457495370 /nfs/dbraw/zinc/49/53/70/457495370.db2.gz GUIOHQOEVSFPAJ-IBGZPJMESA-N 2 2 327.472 3.336 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)cn1 ZINC000398005895 457495375 /nfs/dbraw/zinc/49/53/75/457495375.db2.gz GUIOHQOEVSFPAJ-IBGZPJMESA-N 2 2 327.472 3.336 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+](C)Cc2ccccc2C(F)(F)F)n1C ZINC000425331767 457501805 /nfs/dbraw/zinc/50/18/05/457501805.db2.gz YGFCPRBYRFTTHN-UHFFFAOYSA-N 2 2 326.366 3.137 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)n1C ZINC000425331767 457501814 /nfs/dbraw/zinc/50/18/14/457501814.db2.gz YGFCPRBYRFTTHN-UHFFFAOYSA-N 2 2 326.366 3.137 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000400369434 457513353 /nfs/dbraw/zinc/51/33/53/457513353.db2.gz SWUBMSVEDLTEQL-GJZGRUSLSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000400369434 457513358 /nfs/dbraw/zinc/51/33/58/457513358.db2.gz SWUBMSVEDLTEQL-GJZGRUSLSA-N 2 2 339.524 3.094 20 0 EGADLP CC1(C)CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000342774510 457516397 /nfs/dbraw/zinc/51/63/97/457516397.db2.gz DKRAFRCIEMFWII-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP CC1(C)CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000342774510 457516407 /nfs/dbraw/zinc/51/64/07/457516407.db2.gz DKRAFRCIEMFWII-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210321 457527808 /nfs/dbraw/zinc/52/78/08/457527808.db2.gz ZGQSIPDOITWVFZ-KZNAEPCWSA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210321 457527815 /nfs/dbraw/zinc/52/78/15/457527815.db2.gz ZGQSIPDOITWVFZ-KZNAEPCWSA-N 2 2 349.563 3.124 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000364221939 457531937 /nfs/dbraw/zinc/53/19/37/457531937.db2.gz NAQCKFGEEBBLJN-QGZVFWFLSA-N 2 2 326.488 3.364 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000364221939 457531941 /nfs/dbraw/zinc/53/19/41/457531941.db2.gz NAQCKFGEEBBLJN-QGZVFWFLSA-N 2 2 326.488 3.364 20 0 EGADLP COc1cc[nH+]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000347598746 457537747 /nfs/dbraw/zinc/53/77/47/457537747.db2.gz KBAIKTQHSHVGCG-DLBZAZTESA-N 2 2 325.456 3.185 20 0 EGADLP COc1cc[nH+]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000347598746 457537752 /nfs/dbraw/zinc/53/77/52/457537752.db2.gz KBAIKTQHSHVGCG-DLBZAZTESA-N 2 2 325.456 3.185 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)Cc1ccccc1 ZINC000374295556 457573283 /nfs/dbraw/zinc/57/32/83/457573283.db2.gz MMGASVXWPIJFJD-UXHICEINSA-N 2 2 330.516 3.488 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000364429484 457601071 /nfs/dbraw/zinc/60/10/71/457601071.db2.gz PIGCSUZYDSKBIZ-KRWDZBQOSA-N 2 2 343.519 3.443 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000364429484 457601076 /nfs/dbraw/zinc/60/10/76/457601076.db2.gz PIGCSUZYDSKBIZ-KRWDZBQOSA-N 2 2 343.519 3.443 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000374496239 457642072 /nfs/dbraw/zinc/64/20/72/457642072.db2.gz LOSCIWUXQHOSLY-OALUTQOASA-N 2 2 334.891 3.462 20 0 EGADLP Clc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000361328348 457694820 /nfs/dbraw/zinc/69/48/20/457694820.db2.gz KQQDVPGTWWTIGE-KRWDZBQOSA-N 2 2 333.907 3.131 20 0 EGADLP Clc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000361328348 457694822 /nfs/dbraw/zinc/69/48/22/457694822.db2.gz KQQDVPGTWWTIGE-KRWDZBQOSA-N 2 2 333.907 3.131 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c(F)c1 ZINC000370668859 457695830 /nfs/dbraw/zinc/69/58/30/457695830.db2.gz AASWHLJISMUJHR-ZDUSSCGKSA-N 2 2 326.375 3.266 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Cn1cc[nH+]c1 ZINC000358079985 457772304 /nfs/dbraw/zinc/77/23/04/457772304.db2.gz FDDJVDROZKPTNW-GGPKGHCWSA-N 3 2 326.488 3.162 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Cn1cc[nH+]c1 ZINC000358079985 457772308 /nfs/dbraw/zinc/77/23/08/457772308.db2.gz FDDJVDROZKPTNW-GGPKGHCWSA-N 3 2 326.488 3.162 20 0 EGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000443632627 457792082 /nfs/dbraw/zinc/79/20/82/457792082.db2.gz TUAMORAYPUGMSD-GFCCVEGCSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000443632627 457792097 /nfs/dbraw/zinc/79/20/97/457792097.db2.gz TUAMORAYPUGMSD-GFCCVEGCSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000375121759 457799933 /nfs/dbraw/zinc/79/99/33/457799933.db2.gz VJGIQETUGAMSHJ-SEVLPDGMSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000375121759 457799936 /nfs/dbraw/zinc/79/99/36/457799936.db2.gz VJGIQETUGAMSHJ-SEVLPDGMSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144479 457812538 /nfs/dbraw/zinc/81/25/38/457812538.db2.gz WYLBPOVEZFZPNF-YJBOKZPZSA-N 2 2 325.456 3.076 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358144479 457812545 /nfs/dbraw/zinc/81/25/45/457812545.db2.gz WYLBPOVEZFZPNF-YJBOKZPZSA-N 2 2 325.456 3.076 20 0 EGADLP C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358152738 457818352 /nfs/dbraw/zinc/81/83/52/457818352.db2.gz HXKHPQXXYIFQHZ-IFXJQAMLSA-N 2 2 325.387 3.396 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000358222996 457869312 /nfs/dbraw/zinc/86/93/12/457869312.db2.gz OJDYUCJTANYPPT-MRXNPFEDSA-N 2 2 331.423 3.413 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301643 457870730 /nfs/dbraw/zinc/87/07/30/457870730.db2.gz HCVHKJVSMQMXPV-FUHWJXTLSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301643 457870737 /nfs/dbraw/zinc/87/07/37/457870737.db2.gz HCVHKJVSMQMXPV-FUHWJXTLSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000375301643 457870744 /nfs/dbraw/zinc/87/07/44/457870744.db2.gz HCVHKJVSMQMXPV-FUHWJXTLSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000375301643 457870750 /nfs/dbraw/zinc/87/07/50/457870750.db2.gz HCVHKJVSMQMXPV-FUHWJXTLSA-N 2 2 328.504 3.223 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000358301504 457919492 /nfs/dbraw/zinc/91/94/92/457919492.db2.gz PUROUGQNOGVVOZ-ZBFHGGJFSA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000358301504 457919497 /nfs/dbraw/zinc/91/94/97/457919497.db2.gz PUROUGQNOGVVOZ-ZBFHGGJFSA-N 2 2 337.533 3.247 20 0 EGADLP COc1cc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1C ZINC000361880923 457926871 /nfs/dbraw/zinc/92/68/71/457926871.db2.gz QBLDADXAPZNUOD-UHFFFAOYSA-N 2 2 339.483 3.195 20 0 EGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433992390 457927760 /nfs/dbraw/zinc/92/77/60/457927760.db2.gz ZRIGUFPASRREDQ-YVEFUNNKSA-N 2 2 335.835 3.092 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)[S@]1=O ZINC000411720101 457961052 /nfs/dbraw/zinc/96/10/52/457961052.db2.gz PBOMLEKXQKWPSD-WSCWJOSJSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)[S@]1=O ZINC000411720101 457961060 /nfs/dbraw/zinc/96/10/60/457961060.db2.gz PBOMLEKXQKWPSD-WSCWJOSJSA-N 2 2 348.556 3.404 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000361970219 457986079 /nfs/dbraw/zinc/98/60/79/457986079.db2.gz MPRJGXHESOSFTJ-OAHLLOKOSA-N 2 2 342.443 3.017 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000361970219 457986085 /nfs/dbraw/zinc/98/60/85/457986085.db2.gz MPRJGXHESOSFTJ-OAHLLOKOSA-N 2 2 342.443 3.017 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411826871 457986410 /nfs/dbraw/zinc/98/64/10/457986410.db2.gz KFZPJWMCSRJEEX-UHFFFAOYSA-N 2 2 333.439 3.350 20 0 EGADLP COC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427855448 458043963 /nfs/dbraw/zinc/04/39/63/458043963.db2.gz COVZWEVADRGVET-LSDHHAIUSA-N 2 2 339.361 3.194 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427880812 458046527 /nfs/dbraw/zinc/04/65/27/458046527.db2.gz WYJGCFOHYHUHMK-DZGCQCFKSA-N 2 2 332.245 3.238 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1COCc2ccccc21 ZINC000428213563 458098160 /nfs/dbraw/zinc/09/81/60/458098160.db2.gz UGQWHOHECCLVNV-HBGVWJBISA-N 2 2 337.467 3.153 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1COCc2ccccc21 ZINC000428213563 458098162 /nfs/dbraw/zinc/09/81/62/458098162.db2.gz UGQWHOHECCLVNV-HBGVWJBISA-N 2 2 337.467 3.153 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000435378992 458128294 /nfs/dbraw/zinc/12/82/94/458128294.db2.gz HHCZDPDZBCIDER-XYPHTWIQSA-N 2 2 338.879 3.067 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000435378992 458128302 /nfs/dbraw/zinc/12/83/02/458128302.db2.gz HHCZDPDZBCIDER-XYPHTWIQSA-N 2 2 338.879 3.067 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000435378492 458128581 /nfs/dbraw/zinc/12/85/81/458128581.db2.gz IXPXDKNYQKHCNU-CABCVRRESA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000435378492 458128586 /nfs/dbraw/zinc/12/85/86/458128586.db2.gz IXPXDKNYQKHCNU-CABCVRRESA-N 2 2 331.485 3.200 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc3)nc12 ZINC000435382779 458130649 /nfs/dbraw/zinc/13/06/49/458130649.db2.gz FKIZXPOJQPAVTI-INIZCTEOSA-N 2 2 338.455 3.001 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc3)nc12 ZINC000435382779 458130656 /nfs/dbraw/zinc/13/06/56/458130656.db2.gz FKIZXPOJQPAVTI-INIZCTEOSA-N 2 2 338.455 3.001 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383771 458130680 /nfs/dbraw/zinc/13/06/80/458130680.db2.gz JTTIKIHFIUEEGF-TZMCWYRMSA-N 2 2 346.393 3.338 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383771 458130686 /nfs/dbraw/zinc/13/06/86/458130686.db2.gz JTTIKIHFIUEEGF-TZMCWYRMSA-N 2 2 346.393 3.338 20 0 EGADLP CC(C)(C)n1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435388887 458134575 /nfs/dbraw/zinc/13/45/75/458134575.db2.gz HSBXEDGAFYORFI-IBGZPJMESA-N 2 2 341.503 3.177 20 0 EGADLP CC(C)(C)n1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000435388887 458134581 /nfs/dbraw/zinc/13/45/81/458134581.db2.gz HSBXEDGAFYORFI-IBGZPJMESA-N 2 2 341.503 3.177 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668903 458139197 /nfs/dbraw/zinc/13/91/97/458139197.db2.gz UBGMLTCHCFQMTK-MAUKXSAKSA-N 3 2 335.923 3.377 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668903 458139206 /nfs/dbraw/zinc/13/92/06/458139206.db2.gz UBGMLTCHCFQMTK-MAUKXSAKSA-N 3 2 335.923 3.377 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428430541 458141823 /nfs/dbraw/zinc/14/18/23/458141823.db2.gz NIZINIRBWYPOJU-WBVHZDCISA-N 2 2 337.508 3.333 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@H](C)C1 ZINC000428430541 458141826 /nfs/dbraw/zinc/14/18/26/458141826.db2.gz NIZINIRBWYPOJU-WBVHZDCISA-N 2 2 337.508 3.333 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428502 458144913 /nfs/dbraw/zinc/14/49/13/458144913.db2.gz SHNREQXEVQERRP-CQSZACIVSA-N 2 2 334.514 3.052 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428502 458144917 /nfs/dbraw/zinc/14/49/17/458144917.db2.gz SHNREQXEVQERRP-CQSZACIVSA-N 2 2 334.514 3.052 20 0 EGADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1F ZINC000435441190 458148190 /nfs/dbraw/zinc/14/81/90/458148190.db2.gz ASACUORZVNGILO-OAHLLOKOSA-N 2 2 349.475 3.211 20 0 EGADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1F ZINC000435441190 458148192 /nfs/dbraw/zinc/14/81/92/458148192.db2.gz ASACUORZVNGILO-OAHLLOKOSA-N 2 2 349.475 3.211 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066217 458180948 /nfs/dbraw/zinc/18/09/48/458180948.db2.gz XLNWHJPYBVGDGF-NDXORKPFSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066217 458180955 /nfs/dbraw/zinc/18/09/55/458180955.db2.gz XLNWHJPYBVGDGF-NDXORKPFSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524695 458245140 /nfs/dbraw/zinc/24/51/40/458245140.db2.gz JFYVUHQVMQBNLH-KBXCAEBGSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524695 458245143 /nfs/dbraw/zinc/24/51/43/458245143.db2.gz JFYVUHQVMQBNLH-KBXCAEBGSA-N 2 2 338.455 3.023 20 0 EGADLP Brc1ccc2[nH+]cc(CNc3[nH]c4ccccc4[nH+]3)n2c1 ZINC000446971495 458250872 /nfs/dbraw/zinc/25/08/72/458250872.db2.gz LZPLSTCMKHIGHP-UHFFFAOYSA-N 2 2 342.200 3.007 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000446978278 458253023 /nfs/dbraw/zinc/25/30/23/458253023.db2.gz WENDRTVHNURSJC-QAPCUYQASA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000446978278 458253027 /nfs/dbraw/zinc/25/30/27/458253027.db2.gz WENDRTVHNURSJC-QAPCUYQASA-N 2 2 345.487 3.019 20 0 EGADLP Cc1ccn2c(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cnc2c1 ZINC000447077042 458262765 /nfs/dbraw/zinc/26/27/65/458262765.db2.gz PBOXRBXJHKVKGJ-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP c1cc2c(o1)CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000447539267 458308155 /nfs/dbraw/zinc/30/81/55/458308155.db2.gz GJNGQTWWTDNTET-FQEVSTJZSA-N 2 2 339.483 3.459 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000372675152 458314650 /nfs/dbraw/zinc/31/46/50/458314650.db2.gz OGXFLTPBZGJRTA-AWEZNQCLSA-N 2 2 329.444 3.130 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422352 458331903 /nfs/dbraw/zinc/33/19/03/458331903.db2.gz ZDAMCURTNJJOGS-SFHLNBCPSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422352 458331906 /nfs/dbraw/zinc/33/19/06/458331906.db2.gz ZDAMCURTNJJOGS-SFHLNBCPSA-N 2 2 346.515 3.071 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000429554884 458344026 /nfs/dbraw/zinc/34/40/26/458344026.db2.gz USVGXFTYJMDZBC-KRWDZBQOSA-N 2 2 326.444 3.185 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000429554884 458344029 /nfs/dbraw/zinc/34/40/29/458344029.db2.gz USVGXFTYJMDZBC-KRWDZBQOSA-N 2 2 326.444 3.185 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCc4ccccc4C3)C2)cc1 ZINC000429724059 458363338 /nfs/dbraw/zinc/36/33/38/458363338.db2.gz WIFQRZQNWSPBHJ-QFIPXVFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCc4ccccc4C3)C2)cc1 ZINC000429724059 458363341 /nfs/dbraw/zinc/36/33/41/458363341.db2.gz WIFQRZQNWSPBHJ-QFIPXVFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000429724059 458363343 /nfs/dbraw/zinc/36/33/43/458363343.db2.gz WIFQRZQNWSPBHJ-QFIPXVFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000429724059 458363345 /nfs/dbraw/zinc/36/33/45/458363345.db2.gz WIFQRZQNWSPBHJ-QFIPXVFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1cc2c(cc1C[N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CCCC2 ZINC000430081914 458398148 /nfs/dbraw/zinc/39/81/48/458398148.db2.gz YMCOUTCRXLGBBS-LJQANCHMSA-N 2 2 328.500 3.110 20 0 EGADLP c1cc2c(cc1C[N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CCCC2 ZINC000430081914 458398152 /nfs/dbraw/zinc/39/81/52/458398152.db2.gz YMCOUTCRXLGBBS-LJQANCHMSA-N 2 2 328.500 3.110 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nccn1C ZINC000376836955 458401874 /nfs/dbraw/zinc/40/18/74/458401874.db2.gz PRMFKDGMGJBJHN-FRYIKTPZSA-N 2 2 338.499 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nccn1C ZINC000376836955 458401878 /nfs/dbraw/zinc/40/18/78/458401878.db2.gz PRMFKDGMGJBJHN-FRYIKTPZSA-N 2 2 338.499 3.371 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559933 458411607 /nfs/dbraw/zinc/41/16/07/458411607.db2.gz ISNCHELZCSMRJO-SFTDATJTSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559933 458411612 /nfs/dbraw/zinc/41/16/12/458411612.db2.gz ISNCHELZCSMRJO-SFTDATJTSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559933 458411617 /nfs/dbraw/zinc/41/16/17/458411617.db2.gz ISNCHELZCSMRJO-SFTDATJTSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@@H]3C2)cc1 ZINC000459559933 458411621 /nfs/dbraw/zinc/41/16/21/458411621.db2.gz ISNCHELZCSMRJO-SFTDATJTSA-N 2 2 348.494 3.308 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423481755 458439451 /nfs/dbraw/zinc/43/94/51/458439451.db2.gz QQUBWOQHHTVOCW-ZJUUUORDSA-N 2 2 336.694 3.201 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000423502491 458444485 /nfs/dbraw/zinc/44/44/85/458444485.db2.gz MALMVPFMHCRBCA-MGPUTAFESA-N 2 2 335.455 3.180 20 0 EGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423514734 458448570 /nfs/dbraw/zinc/44/85/70/458448570.db2.gz MNGJAYRWKBITQA-RHSMWYFYSA-N 2 2 345.512 3.071 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423531419 458452427 /nfs/dbraw/zinc/45/24/27/458452427.db2.gz ZYXHKTMAIDUZGZ-RHSMWYFYSA-N 2 2 345.437 3.186 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423550260 458456294 /nfs/dbraw/zinc/45/62/94/458456294.db2.gz FOJMVZJUTPHMIG-IBGZPJMESA-N 3 2 339.483 3.240 20 0 EGADLP CCN(C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000430575345 458463323 /nfs/dbraw/zinc/46/33/23/458463323.db2.gz QOKDODWNUOPSHD-CRAIPNDOSA-N 2 2 337.483 3.040 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000430575345 458463330 /nfs/dbraw/zinc/46/33/30/458463330.db2.gz QOKDODWNUOPSHD-CRAIPNDOSA-N 2 2 337.483 3.040 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000430576354 458464804 /nfs/dbraw/zinc/46/48/04/458464804.db2.gz XCUCDJBINDTHHY-LEWJYISDSA-N 2 2 343.515 3.141 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000430576818 458465444 /nfs/dbraw/zinc/46/54/44/458465444.db2.gz YBMOOZFRZKPBIY-YOEHRIQHSA-N 2 2 328.460 3.419 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)cc1 ZINC000430576818 458465448 /nfs/dbraw/zinc/46/54/48/458465448.db2.gz YBMOOZFRZKPBIY-YOEHRIQHSA-N 2 2 328.460 3.419 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583864 458466754 /nfs/dbraw/zinc/46/67/54/458466754.db2.gz XZKJBMBEDWTKLV-QAPCUYQASA-N 2 2 333.520 3.444 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583864 458466755 /nfs/dbraw/zinc/46/67/55/458466755.db2.gz XZKJBMBEDWTKLV-QAPCUYQASA-N 2 2 333.520 3.444 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648577 458474373 /nfs/dbraw/zinc/47/43/73/458474373.db2.gz ZMXHYFNKWXWHFE-DOMZBBRYSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648577 458474375 /nfs/dbraw/zinc/47/43/75/458474375.db2.gz ZMXHYFNKWXWHFE-DOMZBBRYSA-N 2 2 334.851 3.134 20 0 EGADLP CCc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377194410 458486765 /nfs/dbraw/zinc/48/67/65/458486765.db2.gz AMRCXBUWKORROS-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP CCc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377194410 458486769 /nfs/dbraw/zinc/48/67/69/458486769.db2.gz AMRCXBUWKORROS-UHFFFAOYSA-N 2 2 340.471 3.120 20 0 EGADLP CCC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC[NH2+]C1 ZINC000430933543 458507830 /nfs/dbraw/zinc/50/78/30/458507830.db2.gz IPGGSWHWAYKWJO-OAHLLOKOSA-N 2 2 334.851 3.006 20 0 EGADLP CCC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC[NH2+]C1 ZINC000430933543 458507833 /nfs/dbraw/zinc/50/78/33/458507833.db2.gz IPGGSWHWAYKWJO-OAHLLOKOSA-N 2 2 334.851 3.006 20 0 EGADLP C[NH2+]CCCN(C)C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000424019935 458538753 /nfs/dbraw/zinc/53/87/53/458538753.db2.gz NMQRMKCTESFCDC-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP [NH3+][C@@H](CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)CC1CCCCC1 ZINC000424144830 458570413 /nfs/dbraw/zinc/57/04/13/458570413.db2.gz MEBVYFVEQBKSRW-KRWDZBQOSA-N 2 2 332.492 3.194 20 0 EGADLP [NH3+][C@@H](CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)CC1CCCCC1 ZINC000424144830 458570421 /nfs/dbraw/zinc/57/04/21/458570421.db2.gz MEBVYFVEQBKSRW-KRWDZBQOSA-N 2 2 332.492 3.194 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431606749 458594547 /nfs/dbraw/zinc/59/45/47/458594547.db2.gz GJDWGUPGIVIZQN-INIZCTEOSA-N 2 2 345.830 3.135 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493917490 458601404 /nfs/dbraw/zinc/60/14/04/458601404.db2.gz RLNYXKOHJPPKMO-RACLHMPKSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000493917490 458601408 /nfs/dbraw/zinc/60/14/08/458601408.db2.gz RLNYXKOHJPPKMO-RACLHMPKSA-N 2 2 326.484 3.369 20 0 EGADLP [NH3+]C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301779 458609233 /nfs/dbraw/zinc/60/92/33/458609233.db2.gz LIDFMSBGXGKTIU-QUCCMNQESA-N 3 2 347.522 3.456 20 0 EGADLP [NH3+]C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301779 458609240 /nfs/dbraw/zinc/60/92/40/458609240.db2.gz LIDFMSBGXGKTIU-QUCCMNQESA-N 3 2 347.522 3.456 20 0 EGADLP Clc1cc(Br)ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494406226 458671510 /nfs/dbraw/zinc/67/15/10/458671510.db2.gz PJSNCJXYJHQRGF-LBPRGKRZSA-N 2 2 340.652 3.404 20 0 EGADLP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494415557 458671799 /nfs/dbraw/zinc/67/17/99/458671799.db2.gz ZAPGMDSYKDGSCM-LBPRGKRZSA-N 2 2 327.762 3.243 20 0 EGADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066007 458690453 /nfs/dbraw/zinc/69/04/53/458690453.db2.gz XIEOLXAZGZFFGB-QGZVFWFLSA-N 2 2 337.895 3.475 20 0 EGADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066007 458690456 /nfs/dbraw/zinc/69/04/56/458690456.db2.gz XIEOLXAZGZFFGB-QGZVFWFLSA-N 2 2 337.895 3.475 20 0 EGADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066007 458690462 /nfs/dbraw/zinc/69/04/62/458690462.db2.gz XIEOLXAZGZFFGB-QGZVFWFLSA-N 2 2 337.895 3.475 20 0 EGADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066007 458690468 /nfs/dbraw/zinc/69/04/68/458690468.db2.gz XIEOLXAZGZFFGB-QGZVFWFLSA-N 2 2 337.895 3.475 20 0 EGADLP COc1cc(OC)c(C2CC[NH+]([C@H](C)[C@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000530214333 458718052 /nfs/dbraw/zinc/71/80/52/458718052.db2.gz XTXGWINBGJIONM-RHSMWYFYSA-N 2 2 348.487 3.032 20 0 EGADLP CCC(CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464317466 458742347 /nfs/dbraw/zinc/74/23/47/458742347.db2.gz JPQLDBPOBLOZPD-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP CCC(CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464317466 458742349 /nfs/dbraw/zinc/74/23/49/458742349.db2.gz JPQLDBPOBLOZPD-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1Oc1cc[nH+]cc1 ZINC000530307273 458744851 /nfs/dbraw/zinc/74/48/51/458744851.db2.gz YTYHWFSZASHRNI-UHFFFAOYSA-N 2 2 337.423 3.174 20 0 EGADLP Cc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1Oc1cc[nH+]cc1 ZINC000530307273 458744857 /nfs/dbraw/zinc/74/48/57/458744857.db2.gz YTYHWFSZASHRNI-UHFFFAOYSA-N 2 2 337.423 3.174 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C(=O)N(C)C)cc1 ZINC000494893015 458762787 /nfs/dbraw/zinc/76/27/87/458762787.db2.gz MFIYUKRHMHJWSC-INIZCTEOSA-N 2 2 348.450 3.425 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827897 458794703 /nfs/dbraw/zinc/79/47/03/458794703.db2.gz HBVQIKGZHDROOA-BBRMVZONSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827897 458794705 /nfs/dbraw/zinc/79/47/05/458794705.db2.gz HBVQIKGZHDROOA-BBRMVZONSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)oc1C ZINC000432827897 458794708 /nfs/dbraw/zinc/79/47/08/458794708.db2.gz HBVQIKGZHDROOA-BBRMVZONSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)oc1C ZINC000432827897 458794710 /nfs/dbraw/zinc/79/47/10/458794710.db2.gz HBVQIKGZHDROOA-BBRMVZONSA-N 2 2 334.460 3.099 20 0 EGADLP COc1cc(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)ccc1F ZINC000518008176 458835285 /nfs/dbraw/zinc/83/52/85/458835285.db2.gz SXFMQOCWCZVQRS-UHFFFAOYSA-N 2 2 343.446 3.293 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266203 458872013 /nfs/dbraw/zinc/87/20/13/458872013.db2.gz PHQGNRBVTREVQN-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266203 458872019 /nfs/dbraw/zinc/87/20/19/458872019.db2.gz PHQGNRBVTREVQN-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266203 458872025 /nfs/dbraw/zinc/87/20/25/458872025.db2.gz PHQGNRBVTREVQN-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266203 458872031 /nfs/dbraw/zinc/87/20/31/458872031.db2.gz PHQGNRBVTREVQN-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCOC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123404 458890570 /nfs/dbraw/zinc/89/05/70/458890570.db2.gz JPLXYDQRQJRZRO-IEBWSBKVSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)Cc2ccccc21 ZINC000441123404 458890574 /nfs/dbraw/zinc/89/05/74/458890574.db2.gz JPLXYDQRQJRZRO-IEBWSBKVSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)Cc2ccccc21 ZINC000441123404 458890579 /nfs/dbraw/zinc/89/05/79/458890579.db2.gz JPLXYDQRQJRZRO-IEBWSBKVSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)Cc2ccccc21 ZINC000441123404 458890580 /nfs/dbraw/zinc/89/05/80/458890580.db2.gz JPLXYDQRQJRZRO-IEBWSBKVSA-N 2 2 330.472 3.023 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000474604871 458894180 /nfs/dbraw/zinc/89/41/80/458894180.db2.gz HTBCRZYZSNLKHT-SCCNAQOGSA-N 2 2 346.515 3.261 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441328112 458919345 /nfs/dbraw/zinc/91/93/45/458919345.db2.gz VNWHTASNOMINHH-IEBWSBKVSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441328112 458919349 /nfs/dbraw/zinc/91/93/49/458919349.db2.gz VNWHTASNOMINHH-IEBWSBKVSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441328112 458919352 /nfs/dbraw/zinc/91/93/52/458919352.db2.gz VNWHTASNOMINHH-IEBWSBKVSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441328112 458919354 /nfs/dbraw/zinc/91/93/54/458919354.db2.gz VNWHTASNOMINHH-IEBWSBKVSA-N 2 2 335.536 3.188 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441321715 458919669 /nfs/dbraw/zinc/91/96/69/458919669.db2.gz DLFQNTBGUWFKRQ-GBESFXJTSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441321715 458919678 /nfs/dbraw/zinc/91/96/78/458919678.db2.gz DLFQNTBGUWFKRQ-GBESFXJTSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441321715 458919681 /nfs/dbraw/zinc/91/96/81/458919681.db2.gz DLFQNTBGUWFKRQ-GBESFXJTSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441321715 458919695 /nfs/dbraw/zinc/91/96/95/458919695.db2.gz DLFQNTBGUWFKRQ-GBESFXJTSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441335097 458920841 /nfs/dbraw/zinc/92/08/41/458920841.db2.gz XLSVIJXYAHXWQD-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000441335097 458920846 /nfs/dbraw/zinc/92/08/46/458920846.db2.gz XLSVIJXYAHXWQD-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000441335097 458920851 /nfs/dbraw/zinc/92/08/51/458920851.db2.gz XLSVIJXYAHXWQD-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000441335097 458920855 /nfs/dbraw/zinc/92/08/55/458920855.db2.gz XLSVIJXYAHXWQD-IEBWSBKVSA-N 2 2 331.504 3.437 20 0 EGADLP CC1CCC(N(C(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)C2CC2)CC1 ZINC000441333638 458922131 /nfs/dbraw/zinc/92/21/31/458922131.db2.gz UXIFBGDEYWKRRS-JLAWEPINSA-N 2 2 349.563 3.362 20 0 EGADLP CC1CCC(N(C(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)C2CC2)CC1 ZINC000441333638 458922135 /nfs/dbraw/zinc/92/21/35/458922135.db2.gz UXIFBGDEYWKRRS-JLAWEPINSA-N 2 2 349.563 3.362 20 0 EGADLP CC1CCC(N(C(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)C2CC2)CC1 ZINC000441333638 458922138 /nfs/dbraw/zinc/92/21/38/458922138.db2.gz UXIFBGDEYWKRRS-JLAWEPINSA-N 2 2 349.563 3.362 20 0 EGADLP CC1CCC(N(C(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)C2CC2)CC1 ZINC000441333638 458922141 /nfs/dbraw/zinc/92/21/41/458922141.db2.gz UXIFBGDEYWKRRS-JLAWEPINSA-N 2 2 349.563 3.362 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441417073 458938997 /nfs/dbraw/zinc/93/89/97/458938997.db2.gz FJJGGDQCEHFWSA-QUCCMNQESA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441417073 458939003 /nfs/dbraw/zinc/93/90/03/458939003.db2.gz FJJGGDQCEHFWSA-QUCCMNQESA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417073 458939010 /nfs/dbraw/zinc/93/90/10/458939010.db2.gz FJJGGDQCEHFWSA-QUCCMNQESA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441417073 458939017 /nfs/dbraw/zinc/93/90/17/458939017.db2.gz FJJGGDQCEHFWSA-QUCCMNQESA-N 2 2 349.563 3.364 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)cc2)c1C ZINC000577014325 458963837 /nfs/dbraw/zinc/96/38/37/458963837.db2.gz YXNWFJWFYVPUHM-OKILXGFUSA-N 2 2 326.444 3.300 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2)c1C ZINC000577014325 458963845 /nfs/dbraw/zinc/96/38/45/458963845.db2.gz YXNWFJWFYVPUHM-OKILXGFUSA-N 2 2 326.444 3.300 20 0 EGADLP CC[N@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457500734 458980630 /nfs/dbraw/zinc/98/06/30/458980630.db2.gz CJMBDOWVULGCSW-LJQANCHMSA-N 2 2 346.519 3.027 20 0 EGADLP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457500734 458980635 /nfs/dbraw/zinc/98/06/35/458980635.db2.gz CJMBDOWVULGCSW-LJQANCHMSA-N 2 2 346.519 3.027 20 0 EGADLP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457500734 458980639 /nfs/dbraw/zinc/98/06/39/458980639.db2.gz CJMBDOWVULGCSW-LJQANCHMSA-N 2 2 346.519 3.027 20 0 EGADLP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457500734 458980644 /nfs/dbraw/zinc/98/06/44/458980644.db2.gz CJMBDOWVULGCSW-LJQANCHMSA-N 2 2 346.519 3.027 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000531955349 459006995 /nfs/dbraw/zinc/00/69/95/459006995.db2.gz MPJFCHIUEIRRRF-UHFFFAOYSA-N 2 2 341.543 3.363 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)ccn12 ZINC000519830027 459013356 /nfs/dbraw/zinc/01/33/56/459013356.db2.gz AIGROCDOOSKBOD-UHFFFAOYSA-N 2 2 340.471 3.170 20 0 EGADLP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041517 459038886 /nfs/dbraw/zinc/03/88/86/459038886.db2.gz JNDWQKWNVFUKOO-PZJWPPBQSA-N 2 2 348.446 3.442 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527025 459046748 /nfs/dbraw/zinc/04/67/48/459046748.db2.gz OJGWQVYLKFFVLK-ONGXEEELSA-N 2 2 349.219 3.362 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000577527025 459046749 /nfs/dbraw/zinc/04/67/49/459046749.db2.gz OJGWQVYLKFFVLK-ONGXEEELSA-N 2 2 349.219 3.362 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000532296906 459062071 /nfs/dbraw/zinc/06/20/71/459062071.db2.gz YTTMZLHNQBCWPQ-UHFFFAOYSA-N 2 2 326.425 3.452 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000532440504 459088462 /nfs/dbraw/zinc/08/84/62/459088462.db2.gz DEHNTGRGJFLKGS-MRXNPFEDSA-N 2 2 349.438 3.117 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000532440504 459088469 /nfs/dbraw/zinc/08/84/69/459088469.db2.gz DEHNTGRGJFLKGS-MRXNPFEDSA-N 2 2 349.438 3.117 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000532501979 459101793 /nfs/dbraw/zinc/10/17/93/459101793.db2.gz XAPJTBVJWHGGMO-UHFFFAOYSA-N 2 2 337.533 3.079 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2cnc(C3CCCCC3)s2)CC1 ZINC000532501979 459101801 /nfs/dbraw/zinc/10/18/01/459101801.db2.gz XAPJTBVJWHGGMO-UHFFFAOYSA-N 2 2 337.533 3.079 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCC[C@H](C)C3)c2cc1C ZINC000578033703 459137171 /nfs/dbraw/zinc/13/71/71/459137171.db2.gz NTGLNYRBCXWRKR-BMGDILEWSA-N 2 2 329.488 3.430 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000594737676 459146133 /nfs/dbraw/zinc/14/61/33/459146133.db2.gz BTEVFIMCDLPVLB-OAHLLOKOSA-N 2 2 335.517 3.200 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000594737676 459146139 /nfs/dbraw/zinc/14/61/39/459146139.db2.gz BTEVFIMCDLPVLB-OAHLLOKOSA-N 2 2 335.517 3.200 20 0 EGADLP CCC(CC)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000533106685 459190547 /nfs/dbraw/zinc/19/05/47/459190547.db2.gz QQDFMWTWKJXAHT-UHFFFAOYSA-N 2 2 330.476 3.286 20 0 EGADLP CC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)[NH+](CC)CC)[C@H]1CCOC1 ZINC000480393297 459195684 /nfs/dbraw/zinc/19/56/84/459195684.db2.gz YSXZVOYSDHOMKV-YSIASYRMSA-N 2 2 334.504 3.483 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000558715093 459203237 /nfs/dbraw/zinc/20/32/37/459203237.db2.gz BUPQJJMEYZDIRW-GJZGRUSLSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000558715093 459203246 /nfs/dbraw/zinc/20/32/46/459203246.db2.gz BUPQJJMEYZDIRW-GJZGRUSLSA-N 2 2 325.412 3.086 20 0 EGADLP Cn1nc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000590798632 459223975 /nfs/dbraw/zinc/22/39/75/459223975.db2.gz MHWZLRWKUNINEL-LJQANCHMSA-N 2 2 348.494 3.228 20 0 EGADLP Cn1nc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000590798632 459223977 /nfs/dbraw/zinc/22/39/77/459223977.db2.gz MHWZLRWKUNINEL-LJQANCHMSA-N 2 2 348.494 3.228 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595065724 459234103 /nfs/dbraw/zinc/23/41/03/459234103.db2.gz USFHWJOLEYSZLR-LHWAMFIRSA-N 2 2 331.485 3.213 20 0 EGADLP CSCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595068688 459234142 /nfs/dbraw/zinc/23/41/42/459234142.db2.gz JUDBDCFXLSXCCS-SJLPKXTDSA-N 2 2 333.545 3.415 20 0 EGADLP CSCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595068688 459234145 /nfs/dbraw/zinc/23/41/45/459234145.db2.gz JUDBDCFXLSXCCS-SJLPKXTDSA-N 2 2 333.545 3.415 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483572 459241880 /nfs/dbraw/zinc/24/18/80/459241880.db2.gz WWMPRQHBVXWENC-GELQRLDPSA-N 2 2 330.516 3.188 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483572 459241884 /nfs/dbraw/zinc/24/18/84/459241884.db2.gz WWMPRQHBVXWENC-GELQRLDPSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483572 459241889 /nfs/dbraw/zinc/24/18/89/459241889.db2.gz WWMPRQHBVXWENC-GELQRLDPSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000533483572 459241893 /nfs/dbraw/zinc/24/18/93/459241893.db2.gz WWMPRQHBVXWENC-GELQRLDPSA-N 2 2 330.516 3.188 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)ccn12 ZINC000568193326 459245228 /nfs/dbraw/zinc/24/52/28/459245228.db2.gz GEXGMNBQSSTGPX-OAHLLOKOSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)ccn12 ZINC000568193326 459245232 /nfs/dbraw/zinc/24/52/32/459245232.db2.gz GEXGMNBQSSTGPX-OAHLLOKOSA-N 2 2 328.460 3.027 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568412232 459284659 /nfs/dbraw/zinc/28/46/59/459284659.db2.gz OTJWSVGRJYIIMV-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412232 459284666 /nfs/dbraw/zinc/28/46/66/459284666.db2.gz OTJWSVGRJYIIMV-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000568412232 459284673 /nfs/dbraw/zinc/28/46/73/459284673.db2.gz OTJWSVGRJYIIMV-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568412232 459284676 /nfs/dbraw/zinc/28/46/76/459284676.db2.gz OTJWSVGRJYIIMV-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000568412234 459284939 /nfs/dbraw/zinc/28/49/39/459284939.db2.gz OTJWSVGRJYIIMV-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412234 459284942 /nfs/dbraw/zinc/28/49/42/459284942.db2.gz OTJWSVGRJYIIMV-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000568412234 459284945 /nfs/dbraw/zinc/28/49/45/459284945.db2.gz OTJWSVGRJYIIMV-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412234 459284949 /nfs/dbraw/zinc/28/49/49/459284949.db2.gz OTJWSVGRJYIIMV-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+]CCCCn3cc[nH+]c3)CC2)cc1 ZINC000582096392 459306777 /nfs/dbraw/zinc/30/67/77/459306777.db2.gz LASUSQGBXXCTHK-UHFFFAOYSA-N 3 2 344.478 3.099 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082991 459309211 /nfs/dbraw/zinc/30/92/11/459309211.db2.gz XJNGGKPDPZGHMP-QWHCGFSZSA-N 2 2 329.429 3.393 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082991 459309216 /nfs/dbraw/zinc/30/92/16/459309216.db2.gz XJNGGKPDPZGHMP-QWHCGFSZSA-N 2 2 329.429 3.393 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1)O[C@H](C)C2 ZINC000534333757 459317339 /nfs/dbraw/zinc/31/73/39/459317339.db2.gz RZHWRPXFSFMKSZ-OAHLLOKOSA-N 2 2 332.488 3.323 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1)O[C@H](C)C2 ZINC000534333757 459317344 /nfs/dbraw/zinc/31/73/44/459317344.db2.gz RZHWRPXFSFMKSZ-OAHLLOKOSA-N 2 2 332.488 3.323 20 0 EGADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(Br)c1 ZINC000560404997 459339757 /nfs/dbraw/zinc/33/97/57/459339757.db2.gz KIINMOIWVRBXNQ-KGLIPLIRSA-N 2 2 325.294 3.484 20 0 EGADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(Br)c1 ZINC000560404997 459339762 /nfs/dbraw/zinc/33/97/62/459339762.db2.gz KIINMOIWVRBXNQ-KGLIPLIRSA-N 2 2 325.294 3.484 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764254 459341328 /nfs/dbraw/zinc/34/13/28/459341328.db2.gz OPTHYRSRBNPLFH-DYVFJYSZSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764254 459341332 /nfs/dbraw/zinc/34/13/32/459341332.db2.gz OPTHYRSRBNPLFH-DYVFJYSZSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCC[C@H]1O ZINC000582488824 459373346 /nfs/dbraw/zinc/37/33/46/459373346.db2.gz SJDQGEUOOPAIHA-RTBURBONSA-N 2 2 331.504 3.171 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCC[C@H]1O ZINC000582488824 459373350 /nfs/dbraw/zinc/37/33/50/459373350.db2.gz SJDQGEUOOPAIHA-RTBURBONSA-N 2 2 331.504 3.171 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000560596094 459378946 /nfs/dbraw/zinc/37/89/46/459378946.db2.gz RQKYNNZGVBYWED-HXUWFJFHSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000560596094 459378951 /nfs/dbraw/zinc/37/89/51/459378951.db2.gz RQKYNNZGVBYWED-HXUWFJFHSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000560596094 459378957 /nfs/dbraw/zinc/37/89/57/459378957.db2.gz RQKYNNZGVBYWED-HXUWFJFHSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000560596094 459378961 /nfs/dbraw/zinc/37/89/61/459378961.db2.gz RQKYNNZGVBYWED-HXUWFJFHSA-N 2 2 325.456 3.161 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000568997357 459379743 /nfs/dbraw/zinc/37/97/43/459379743.db2.gz RCHXKLCMXNBGQM-UHFFFAOYSA-N 2 2 334.261 3.174 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000568997357 459379747 /nfs/dbraw/zinc/37/97/47/459379747.db2.gz RCHXKLCMXNBGQM-UHFFFAOYSA-N 2 2 334.261 3.174 20 0 EGADLP CCCC[C@@H](CCC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000483998702 459401975 /nfs/dbraw/zinc/40/19/75/459401975.db2.gz AJCWVPJGSVHQMM-QGZVFWFLSA-N 2 2 340.556 3.013 20 0 EGADLP CCCC[C@@H](CCC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483998702 459401977 /nfs/dbraw/zinc/40/19/77/459401977.db2.gz AJCWVPJGSVHQMM-QGZVFWFLSA-N 2 2 340.556 3.013 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000486673801 459513329 /nfs/dbraw/zinc/51/33/29/459513329.db2.gz ODQITRIXUMCREX-YJBOKZPZSA-N 2 2 340.471 3.486 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000486673801 459513332 /nfs/dbraw/zinc/51/33/32/459513332.db2.gz ODQITRIXUMCREX-YJBOKZPZSA-N 2 2 340.471 3.486 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000542489742 459561598 /nfs/dbraw/zinc/56/15/98/459561598.db2.gz XGBFHEXOJGOYCL-QIJUGHKUSA-N 2 2 338.495 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000542489742 459561603 /nfs/dbraw/zinc/56/16/03/459561603.db2.gz XGBFHEXOJGOYCL-QIJUGHKUSA-N 2 2 338.495 3.233 20 0 EGADLP CCN(C)C(=O)[C@@H]([NH2+]Cc1[nH+]c(C(C)C)n2ccccc12)C(C)C ZINC000583816837 459602203 /nfs/dbraw/zinc/60/22/03/459602203.db2.gz LYDHNEOCDNSLSU-KRWDZBQOSA-N 2 2 330.476 3.050 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccccc1)c1ccncn1)CCC2 ZINC000527282976 459621439 /nfs/dbraw/zinc/62/14/39/459621439.db2.gz FJIWWVDPDQRGOK-HKUYNNGSSA-N 2 2 333.439 3.238 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000573087162 459624320 /nfs/dbraw/zinc/62/43/20/459624320.db2.gz VDFULTYFHGDGGJ-KRWDZBQOSA-N 2 2 325.456 3.092 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000573200351 459640539 /nfs/dbraw/zinc/64/05/39/459640539.db2.gz LTUXBOQFWURWLH-QRWLVFNGSA-N 2 2 343.446 3.435 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527657353 459687734 /nfs/dbraw/zinc/68/77/34/459687734.db2.gz PLIMTWTZQSUENN-SNVBAGLBSA-N 2 2 333.220 3.159 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527657353 459687738 /nfs/dbraw/zinc/68/77/38/459687738.db2.gz PLIMTWTZQSUENN-SNVBAGLBSA-N 2 2 333.220 3.159 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527671631 459693746 /nfs/dbraw/zinc/69/37/46/459693746.db2.gz XSUODXAGNMRQEV-RYUDHWBXSA-N 2 2 346.700 3.460 20 0 EGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527673225 459695660 /nfs/dbraw/zinc/69/56/60/459695660.db2.gz GJIGLDFHAHRIAL-KGLIPLIRSA-N 2 2 348.434 3.234 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]c(C)n2C)ccc1OCCC(C)C ZINC000573578459 459700413 /nfs/dbraw/zinc/70/04/13/459700413.db2.gz COQZUYIXBHJOEC-UHFFFAOYSA-N 2 2 331.460 3.452 20 0 EGADLP CCc1cc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)nc(C)[nH+]1 ZINC000543876895 459710361 /nfs/dbraw/zinc/71/03/61/459710361.db2.gz IXHUBVJMCVRAGB-UHFFFAOYSA-N 2 2 339.487 3.485 20 0 EGADLP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000584346888 459715990 /nfs/dbraw/zinc/71/59/90/459715990.db2.gz LEHWOFYSFIBYIR-FBBABVLZSA-N 2 2 342.483 3.016 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563111903 459716037 /nfs/dbraw/zinc/71/60/37/459716037.db2.gz KXLPVNCINRKKCE-DYVFJYSZSA-N 2 2 334.826 3.052 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]Cc2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563111903 459716041 /nfs/dbraw/zinc/71/60/41/459716041.db2.gz KXLPVNCINRKKCE-DYVFJYSZSA-N 2 2 334.826 3.052 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000573714303 459724110 /nfs/dbraw/zinc/72/41/10/459724110.db2.gz WBDCWPJNUAIZHD-IRXDYDNUSA-N 2 2 344.421 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000573714303 459724115 /nfs/dbraw/zinc/72/41/15/459724115.db2.gz WBDCWPJNUAIZHD-IRXDYDNUSA-N 2 2 344.421 3.073 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000573739733 459726959 /nfs/dbraw/zinc/72/69/59/459726959.db2.gz CICQDHSRNMSTMJ-MRXNPFEDSA-N 2 2 329.444 3.077 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418343 459733783 /nfs/dbraw/zinc/73/37/83/459733783.db2.gz QQTYIGFUJYPFAU-DLBZAZTESA-N 2 2 329.488 3.164 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418343 459733789 /nfs/dbraw/zinc/73/37/89/459733789.db2.gz QQTYIGFUJYPFAU-DLBZAZTESA-N 2 2 329.488 3.164 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000574150665 459785213 /nfs/dbraw/zinc/78/52/13/459785213.db2.gz JLUUZHLVBZKHOY-NSHDSACASA-N 2 2 348.520 3.011 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4cccc(C)n34)ccc2n1[C@H](C)CO ZINC000574668581 459852502 /nfs/dbraw/zinc/85/25/02/459852502.db2.gz UBIJTPAYFNESCV-CQSZACIVSA-N 2 2 349.438 3.466 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000574859371 459883828 /nfs/dbraw/zinc/88/38/28/459883828.db2.gz VAPTWBMUPMXAPB-ZBFHGGJFSA-N 2 2 338.411 3.232 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000575139534 459935733 /nfs/dbraw/zinc/93/57/33/459935733.db2.gz KQSUPTXPVGOAPL-XHSDSOJGSA-N 2 2 347.507 3.089 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000575139534 459935738 /nfs/dbraw/zinc/93/57/38/459935738.db2.gz KQSUPTXPVGOAPL-XHSDSOJGSA-N 2 2 347.507 3.089 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686847 459968379 /nfs/dbraw/zinc/96/83/79/459968379.db2.gz COOWREAQGNBYTJ-KXBFYZLASA-N 2 2 332.875 3.484 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686847 459968382 /nfs/dbraw/zinc/96/83/82/459968382.db2.gz COOWREAQGNBYTJ-KXBFYZLASA-N 2 2 332.875 3.484 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588687953 459968407 /nfs/dbraw/zinc/96/84/07/459968407.db2.gz HVYZILCAFYVBDM-UWJYYQICSA-N 2 2 326.484 3.393 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588687953 459968413 /nfs/dbraw/zinc/96/84/13/459968413.db2.gz HVYZILCAFYVBDM-UWJYYQICSA-N 2 2 326.484 3.393 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]Cc1ccccc1-n1cncn1)c1ccccc1 ZINC000588691375 459970535 /nfs/dbraw/zinc/97/05/35/459970535.db2.gz MGMDLHZNWIAZKJ-OAQYLSRUSA-N 2 2 349.482 3.440 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)CC(C)C ZINC000588706119 459972573 /nfs/dbraw/zinc/97/25/73/459972573.db2.gz HKTTWDLQCJSCQJ-GOSISDBHSA-N 2 2 344.503 3.058 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)o1 ZINC000618420951 460006990 /nfs/dbraw/zinc/00/69/90/460006990.db2.gz CFMWJUYBHFTBOM-UHFFFAOYSA-N 2 2 340.427 3.008 20 0 EGADLP C[C@H](C[S@](C)=O)[N@@H+](C)[C@H]1CC[NH+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616587 460024621 /nfs/dbraw/zinc/02/46/21/460024621.db2.gz WDFPFEFIJOBBTK-OOULBGLYSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616587 460024626 /nfs/dbraw/zinc/02/46/26/460024626.db2.gz WDFPFEFIJOBBTK-OOULBGLYSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602616587 460024634 /nfs/dbraw/zinc/02/46/34/460024634.db2.gz WDFPFEFIJOBBTK-OOULBGLYSA-N 2 2 334.529 3.053 20 0 EGADLP C[NH+]1CCC(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000614352300 460109611 /nfs/dbraw/zinc/10/96/11/460109611.db2.gz AMQKOSOJHARXIZ-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc2ccccc2n1 ZINC000576507231 460156095 /nfs/dbraw/zinc/15/60/95/460156095.db2.gz RVKDAARRELAZET-OAHLLOKOSA-N 2 2 333.439 3.213 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004150 460158116 /nfs/dbraw/zinc/15/81/16/460158116.db2.gz LHUHJRXXUDNERR-YJBOKZPZSA-N 2 2 330.863 3.147 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004150 460158122 /nfs/dbraw/zinc/15/81/22/460158122.db2.gz LHUHJRXXUDNERR-YJBOKZPZSA-N 2 2 330.863 3.147 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000576576258 460171653 /nfs/dbraw/zinc/17/16/53/460171653.db2.gz RHJRDSXESDQPAK-XNMUZJSGSA-N 2 2 335.451 3.239 20 0 EGADLP [NH3+]CCCCC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000576706769 460197758 /nfs/dbraw/zinc/19/77/58/460197758.db2.gz YQWPGYKQXVTQGL-UHFFFAOYSA-N 2 2 340.402 3.360 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000623088727 460408468 /nfs/dbraw/zinc/40/84/68/460408468.db2.gz ANTCNDDBPDYEAD-UHFFFAOYSA-N 2 2 342.821 3.054 20 0 EGADLP Fc1c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cccc1OC1CC1 ZINC000623089560 460408947 /nfs/dbraw/zinc/40/89/47/460408947.db2.gz MGIXGJKHWHRULE-UHFFFAOYSA-N 2 2 342.405 3.434 20 0 EGADLP CCn1nc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c2ccccc21 ZINC000623089491 460408992 /nfs/dbraw/zinc/40/89/92/460408992.db2.gz JXBPURVSDWNFTF-UHFFFAOYSA-N 2 2 336.430 3.123 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)C2 ZINC000615872577 460413845 /nfs/dbraw/zinc/41/38/45/460413845.db2.gz FHBZGGCCFBVVCL-LIRRHRJNSA-N 2 2 338.455 3.011 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)CC2 ZINC000615872577 460413850 /nfs/dbraw/zinc/41/38/50/460413850.db2.gz FHBZGGCCFBVVCL-LIRRHRJNSA-N 2 2 338.455 3.011 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000623137141 460418629 /nfs/dbraw/zinc/41/86/29/460418629.db2.gz LELCRQXWZMAUNZ-MOPGFXCFSA-N 2 2 344.499 3.270 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000623137141 460418634 /nfs/dbraw/zinc/41/86/34/460418634.db2.gz LELCRQXWZMAUNZ-MOPGFXCFSA-N 2 2 344.499 3.270 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000628476265 460431285 /nfs/dbraw/zinc/43/12/85/460431285.db2.gz PRNTVRWMKCMYGY-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP CCOc1cccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)c1 ZINC000628475981 460431432 /nfs/dbraw/zinc/43/14/32/460431432.db2.gz SIHFDMWLHNUYCC-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000631566713 460446153 /nfs/dbraw/zinc/44/61/53/460446153.db2.gz RVTJDWYYKBNAKO-UFYCRDLUSA-N 2 2 337.467 3.369 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000604713105 460465705 /nfs/dbraw/zinc/46/57/05/460465705.db2.gz DUGQNPGHUCDJFD-KRWDZBQOSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631649461 460488718 /nfs/dbraw/zinc/48/87/18/460488718.db2.gz XJVUXEWCPCWMHE-APWZRJJASA-N 2 2 341.499 3.332 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ncc1Br ZINC000623403758 460530892 /nfs/dbraw/zinc/53/08/92/460530892.db2.gz GRFRXPNIIQKSER-CQSZACIVSA-N 2 2 340.309 3.363 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ncc1Br ZINC000623403758 460530897 /nfs/dbraw/zinc/53/08/97/460530897.db2.gz GRFRXPNIIQKSER-CQSZACIVSA-N 2 2 340.309 3.363 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2F)[C@H](C)C1 ZINC000631726795 460535298 /nfs/dbraw/zinc/53/52/98/460535298.db2.gz VGPFDJUEHLIOJA-PBHICJAKSA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2F)[C@H](C)C1 ZINC000631726795 460535302 /nfs/dbraw/zinc/53/53/02/460535302.db2.gz VGPFDJUEHLIOJA-PBHICJAKSA-N 2 2 326.431 3.191 20 0 EGADLP Cc1cn2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2[nH+]1 ZINC000635323946 460745513 /nfs/dbraw/zinc/74/55/13/460745513.db2.gz FJRHABDQWVEJJH-INIZCTEOSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1cn2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2[nH+]1 ZINC000635323946 460745516 /nfs/dbraw/zinc/74/55/16/460745516.db2.gz FJRHABDQWVEJJH-INIZCTEOSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000623957501 460796651 /nfs/dbraw/zinc/79/66/51/460796651.db2.gz LHSZOMVPTNVMDV-CRAIPNDOSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000623957501 460796654 /nfs/dbraw/zinc/79/66/54/460796654.db2.gz LHSZOMVPTNVMDV-CRAIPNDOSA-N 2 2 345.512 3.259 20 0 EGADLP CC1(C)C[NH+](CCC[N@H+]2CC(C)(C)OCC2(C)C)C(C)(C)CO1 ZINC000607153474 460799280 /nfs/dbraw/zinc/79/92/80/460799280.db2.gz FWACEFWIMNLIKA-UHFFFAOYSA-N 2 2 326.525 3.155 20 0 EGADLP O[C@H](C[NH2+]Cc1ccccc1Oc1cccc(F)c1)C[NH+]1CCCC1 ZINC000629561501 460809926 /nfs/dbraw/zinc/80/99/26/460809926.db2.gz IDDIIKFMMDVOOC-GOSISDBHSA-N 2 2 344.430 3.164 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564853 460810418 /nfs/dbraw/zinc/81/04/18/460810418.db2.gz VDUNCBPLJLNOEY-AAEUAGOBSA-N 2 2 336.785 3.308 20 0 EGADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(-n3c[nH+]c(C)c3C)cc1)CC2 ZINC000627441483 460818859 /nfs/dbraw/zinc/81/88/59/460818859.db2.gz MIVBASIRQBUNBE-MRXNPFEDSA-N 2 2 349.438 3.195 20 0 EGADLP Fc1cc2c(cc1Cl)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000624015025 460822630 /nfs/dbraw/zinc/82/26/30/460822630.db2.gz MHEXGULVWAZQQP-KSSFIOAISA-N 2 2 338.854 3.309 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@H]1C(F)(F)F ZINC000629654830 460848618 /nfs/dbraw/zinc/84/86/18/460848618.db2.gz IOYULYJJTURFHH-DGCLKSJQSA-N 2 2 333.423 3.370 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CC[C@H]1C(F)(F)F ZINC000629654830 460848623 /nfs/dbraw/zinc/84/86/23/460848623.db2.gz IOYULYJJTURFHH-DGCLKSJQSA-N 2 2 333.423 3.370 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)ccc1OCC(F)(F)F ZINC000629660410 460853359 /nfs/dbraw/zinc/85/33/59/460853359.db2.gz TYKAQEJICBCXMS-GXTWGEPZSA-N 2 2 346.393 3.257 20 0 EGADLP CC(C)C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)n1cc[nH+]c1 ZINC000635642872 460868107 /nfs/dbraw/zinc/86/81/07/460868107.db2.gz YZRWKUWWCXARHG-IBGZPJMESA-N 2 2 346.519 3.384 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123445 460872390 /nfs/dbraw/zinc/87/23/90/460872390.db2.gz MASPYHVBNLZFAU-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123445 460872399 /nfs/dbraw/zinc/87/23/99/460872399.db2.gz MASPYHVBNLZFAU-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624228461 460920370 /nfs/dbraw/zinc/92/03/70/460920370.db2.gz RSDNYUSBHMJWIN-GXTWGEPZSA-N 2 2 348.434 3.058 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624228461 460920376 /nfs/dbraw/zinc/92/03/76/460920376.db2.gz RSDNYUSBHMJWIN-GXTWGEPZSA-N 2 2 348.434 3.058 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000608061489 460974928 /nfs/dbraw/zinc/97/49/28/460974928.db2.gz FTMXHJNWLPYDEL-PBHICJAKSA-N 2 2 332.879 3.157 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061489 460974931 /nfs/dbraw/zinc/97/49/31/460974931.db2.gz FTMXHJNWLPYDEL-PBHICJAKSA-N 2 2 332.879 3.157 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)Cn3cc[nH+]c3C(C)C)cc2)c1C ZINC000635949766 460986647 /nfs/dbraw/zinc/98/66/47/460986647.db2.gz CDAOUEZYVMZQIJ-UHFFFAOYSA-N 2 2 337.427 3.448 20 0 EGADLP Cc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ncc1Br ZINC000628183692 461035269 /nfs/dbraw/zinc/03/52/69/461035269.db2.gz KEOPNTJSGOLGRB-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ncc1Br ZINC000628183692 461035274 /nfs/dbraw/zinc/03/52/74/461035274.db2.gz KEOPNTJSGOLGRB-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ncc1Br ZINC000628183692 461035278 /nfs/dbraw/zinc/03/52/78/461035278.db2.gz KEOPNTJSGOLGRB-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ncc1Br ZINC000628183692 461035283 /nfs/dbraw/zinc/03/52/83/461035283.db2.gz KEOPNTJSGOLGRB-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000628210330 461049702 /nfs/dbraw/zinc/04/97/02/461049702.db2.gz ROCVTBMCYSRGGG-GOSISDBHSA-N 3 2 329.532 3.247 20 0 EGADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000641111365 461114661 /nfs/dbraw/zinc/11/46/61/461114661.db2.gz AYEYLRYRTMFSJZ-HXUWFJFHSA-N 2 2 335.455 3.455 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC000662245193 461139571 /nfs/dbraw/zinc/13/95/71/461139571.db2.gz ISWFKVOBCLVTRQ-LLVKDONJSA-N 2 2 331.685 3.452 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC000662245193 461139579 /nfs/dbraw/zinc/13/95/79/461139579.db2.gz ISWFKVOBCLVTRQ-LLVKDONJSA-N 2 2 331.685 3.452 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353885 461151407 /nfs/dbraw/zinc/15/14/07/461151407.db2.gz GJINZOMTGAHCCC-YOEHRIQHSA-N 2 2 328.460 3.248 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353885 461151414 /nfs/dbraw/zinc/15/14/14/461151414.db2.gz GJINZOMTGAHCCC-YOEHRIQHSA-N 2 2 328.460 3.248 20 0 EGADLP CC(C)c1ccc(-c2ncc(C[NH2+]C3(CO)CC[NH2+]CC3)s2)cc1 ZINC000662287019 461168130 /nfs/dbraw/zinc/16/81/30/461168130.db2.gz PXAKRYHOKBEGJJ-UHFFFAOYSA-N 2 2 345.512 3.138 20 0 EGADLP CC(C)(C)c1cc[nH+]c(NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000641283130 461201611 /nfs/dbraw/zinc/20/16/11/461201611.db2.gz WMFRGJODIFRYQB-UHFFFAOYSA-N 2 2 326.444 3.223 20 0 EGADLP CC(C)CC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000638050781 461214429 /nfs/dbraw/zinc/21/44/29/461214429.db2.gz RQIKYUOXKNZSTL-HIFRSBDPSA-N 2 2 338.521 3.077 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614709 461222436 /nfs/dbraw/zinc/22/24/36/461222436.db2.gz ZAYDNHHRQWWVDY-HOTGVXAUSA-N 2 2 342.443 3.193 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614709 461222442 /nfs/dbraw/zinc/22/24/42/461222442.db2.gz ZAYDNHHRQWWVDY-HOTGVXAUSA-N 2 2 342.443 3.193 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(OC)C1CC1 ZINC000638105960 461241499 /nfs/dbraw/zinc/24/14/99/461241499.db2.gz XYEYDTAEHIBQSO-HXUWFJFHSA-N 2 2 331.504 3.435 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(OC)C1CC1 ZINC000638105960 461241502 /nfs/dbraw/zinc/24/15/02/461241502.db2.gz XYEYDTAEHIBQSO-HXUWFJFHSA-N 2 2 331.504 3.435 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180573 461290785 /nfs/dbraw/zinc/29/07/85/461290785.db2.gz WTJBKIVUBRIQFY-WMLDXEAASA-N 2 2 331.410 3.429 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180573 461290794 /nfs/dbraw/zinc/29/07/94/461290794.db2.gz WTJBKIVUBRIQFY-WMLDXEAASA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180573 461290805 /nfs/dbraw/zinc/29/08/05/461290805.db2.gz WTJBKIVUBRIQFY-WMLDXEAASA-N 2 2 331.410 3.429 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)CC[C@H]21 ZINC000638180573 461290815 /nfs/dbraw/zinc/29/08/15/461290815.db2.gz WTJBKIVUBRIQFY-WMLDXEAASA-N 2 2 331.410 3.429 20 0 EGADLP CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717943 461299730 /nfs/dbraw/zinc/29/97/30/461299730.db2.gz POZDLTOFVPCKSO-WOJBJXKFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1COC(C)(C)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717943 461299735 /nfs/dbraw/zinc/29/97/35/461299735.db2.gz POZDLTOFVPCKSO-WOJBJXKFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000649717943 461299741 /nfs/dbraw/zinc/29/97/41/461299741.db2.gz POZDLTOFVPCKSO-WOJBJXKFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000649717943 461299747 /nfs/dbraw/zinc/29/97/47/461299747.db2.gz POZDLTOFVPCKSO-WOJBJXKFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]Cc1ccc(CO)cc1)c1cccc(OC)c1 ZINC000638317385 461364609 /nfs/dbraw/zinc/36/46/09/461364609.db2.gz SHTCEDKXSSFOEU-NRFANRHFSA-N 2 2 342.483 3.360 20 0 EGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655692999 461365175 /nfs/dbraw/zinc/36/51/75/461365175.db2.gz YOHJRRVDMVJMIA-SJLPKXTDSA-N 2 2 332.488 3.378 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CC(C)(C)CC(C)(C)C3)C2)CC1 ZINC000668639435 461367724 /nfs/dbraw/zinc/36/77/24/461367724.db2.gz ICMFOMUBXMXCSP-KRWDZBQOSA-N 2 2 349.563 3.124 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CC(C)(C)CC(C)(C)C3)C2)CC1 ZINC000668639435 461367730 /nfs/dbraw/zinc/36/77/30/461367730.db2.gz ICMFOMUBXMXCSP-KRWDZBQOSA-N 2 2 349.563 3.124 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000655705079 461375821 /nfs/dbraw/zinc/37/58/21/461375821.db2.gz VTJQGTDMRZBALJ-UHFFFAOYSA-N 2 2 330.451 3.282 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC[N@@H+]2C2CC2)cc1 ZINC000638360635 461385334 /nfs/dbraw/zinc/38/53/34/461385334.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[NH+](C4CC4)C3)CC[N@H+]2C2CC2)cc1 ZINC000638360635 461385337 /nfs/dbraw/zinc/38/53/37/461385337.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360635 461385343 /nfs/dbraw/zinc/38/53/43/461385343.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 3 2 339.527 3.428 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC[NH+]2C2CC2)cc1 ZINC000638360635 461385348 /nfs/dbraw/zinc/38/53/48/461385348.db2.gz XQMQOVCSRINWDI-JUXOCIIHSA-N 3 2 339.527 3.428 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000655715255 461385392 /nfs/dbraw/zinc/38/53/92/461385392.db2.gz IDBRJBMPNYFVQB-BFYDXBDKSA-N 2 2 330.501 3.452 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000655715255 461385393 /nfs/dbraw/zinc/38/53/93/461385393.db2.gz IDBRJBMPNYFVQB-BFYDXBDKSA-N 2 2 330.501 3.452 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000655727585 461396776 /nfs/dbraw/zinc/39/67/76/461396776.db2.gz PAFIASHYCZEWOZ-SMDDNHRTSA-N 2 2 328.378 3.008 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000655727655 461397591 /nfs/dbraw/zinc/39/75/91/461397591.db2.gz SSPGBUXWBVIMSW-WFASDCNBSA-N 2 2 326.843 3.383 20 0 EGADLP Fc1ccc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)nc2c1F ZINC000638383100 461399409 /nfs/dbraw/zinc/39/94/09/461399409.db2.gz FBWKEFUBRHBLLZ-UHFFFAOYSA-N 2 2 331.410 3.477 20 0 EGADLP COc1cccc(C)c1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000638383672 461400401 /nfs/dbraw/zinc/40/04/01/461400401.db2.gz IWBYJLOMKMRUOH-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000655736776 461403668 /nfs/dbraw/zinc/40/36/68/461403668.db2.gz SBBVGPPSXZGMON-SWLSCSKDSA-N 2 2 326.843 3.383 20 0 EGADLP Fc1cccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655764083 461429271 /nfs/dbraw/zinc/42/92/71/461429271.db2.gz CSGQMVXCTCLMPZ-NSISKUIASA-N 2 2 332.463 3.305 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000655768082 461432513 /nfs/dbraw/zinc/43/25/13/461432513.db2.gz PEMLFUVKUIICAQ-BXWFABGCSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000655768082 461432524 /nfs/dbraw/zinc/43/25/24/461432524.db2.gz PEMLFUVKUIICAQ-BXWFABGCSA-N 2 2 325.456 3.404 20 0 EGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638465707 461441619 /nfs/dbraw/zinc/44/16/19/461441619.db2.gz DQVIVXYZYNLEFS-SNVBAGLBSA-N 2 2 326.238 3.020 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000653056886 461479673 /nfs/dbraw/zinc/47/96/73/461479673.db2.gz CQOZHPINIPOWBC-OAHLLOKOSA-N 2 2 329.469 3.055 20 0 EGADLP CC[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[C@H]1[NH3+] ZINC000647011505 461482563 /nfs/dbraw/zinc/48/25/63/461482563.db2.gz GONVSBXGKVPHRV-KBXCAEBGSA-N 2 2 325.412 3.073 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cccs1 ZINC000631034292 461487916 /nfs/dbraw/zinc/48/79/16/461487916.db2.gz QTGAZRHMXPNTQR-MRXNPFEDSA-N 2 2 346.496 3.310 20 0 EGADLP C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653096843 461500404 /nfs/dbraw/zinc/50/04/04/461500404.db2.gz XLOYLLCCNOQTSQ-UZLBHIALSA-N 2 2 339.483 3.152 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2c1OCCO2 ZINC000655857518 461504679 /nfs/dbraw/zinc/50/46/79/461504679.db2.gz VLHSOUGOMFBIHR-HOTGVXAUSA-N 2 2 336.863 3.218 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2c1OCCO2 ZINC000655857518 461504690 /nfs/dbraw/zinc/50/46/90/461504690.db2.gz VLHSOUGOMFBIHR-HOTGVXAUSA-N 2 2 336.863 3.218 20 0 EGADLP Cc1ccsc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631051219 461504712 /nfs/dbraw/zinc/50/47/12/461504712.db2.gz BKCGGRIPXVPCDY-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012887 461543539 /nfs/dbraw/zinc/54/35/39/461543539.db2.gz VKTVORAVIIKRML-DOMZBBRYSA-N 2 2 328.378 3.343 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012887 461543547 /nfs/dbraw/zinc/54/35/47/461543547.db2.gz VKTVORAVIIKRML-DOMZBBRYSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012887 461543550 /nfs/dbraw/zinc/54/35/50/461543550.db2.gz VKTVORAVIIKRML-DOMZBBRYSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)CC[C@@H]21 ZINC000660012887 461543553 /nfs/dbraw/zinc/54/35/53/461543553.db2.gz VKTVORAVIIKRML-DOMZBBRYSA-N 2 2 328.378 3.343 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663322230 461557721 /nfs/dbraw/zinc/55/77/21/461557721.db2.gz FRLBBCNACZUXQO-KRWDZBQOSA-N 2 2 348.450 3.130 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663322230 461557731 /nfs/dbraw/zinc/55/77/31/461557731.db2.gz FRLBBCNACZUXQO-KRWDZBQOSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1ccc(N2CCC(C(=O)Nc3cc(C)c4[nH+]ccn4c3)CC2)[nH+]c1 ZINC000647220126 461569765 /nfs/dbraw/zinc/56/97/65/461569765.db2.gz AKWLDFZMCRHJAR-UHFFFAOYSA-N 2 2 349.438 3.201 20 0 EGADLP CO[C@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)CC(C)C ZINC000638781070 461576037 /nfs/dbraw/zinc/57/60/37/461576037.db2.gz RVSUDXXJPZEANK-SFHVURJKSA-N 2 2 334.508 3.085 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(Br)cn3)cn21 ZINC000647262667 461596450 /nfs/dbraw/zinc/59/64/50/461596450.db2.gz JGDXRQXOPJTUDP-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP Cc1nc(NC2CC[NH+](CC(C)C)CC2)c(Br)c(C)[nH+]1 ZINC000663373956 461600383 /nfs/dbraw/zinc/60/03/83/461600383.db2.gz YYUVMKQWJBALOU-UHFFFAOYSA-N 2 2 341.297 3.388 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000656254156 461675997 /nfs/dbraw/zinc/67/59/97/461675997.db2.gz CAABMBZDIVXEPI-IBGZPJMESA-N 2 2 340.471 3.142 20 0 EGADLP Cn1c[nH+]cc1CCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000653505056 461681451 /nfs/dbraw/zinc/68/14/51/461681451.db2.gz WXNUQJPVPFIKNA-QWRGUYRKSA-N 2 2 343.315 3.415 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000656262226 461685701 /nfs/dbraw/zinc/68/57/01/461685701.db2.gz RGPBUJOVXADDRV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000656262226 461685709 /nfs/dbraw/zinc/68/57/09/461685709.db2.gz RGPBUJOVXADDRV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000656262226 461685717 /nfs/dbraw/zinc/68/57/17/461685717.db2.gz RGPBUJOVXADDRV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000656262226 461685729 /nfs/dbraw/zinc/68/57/29/461685729.db2.gz RGPBUJOVXADDRV-VQIMIIECSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000656262237 461687810 /nfs/dbraw/zinc/68/78/10/461687810.db2.gz RLCDNSVUXZIDFM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000656262237 461687816 /nfs/dbraw/zinc/68/78/16/461687816.db2.gz RLCDNSVUXZIDFM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000656262237 461687824 /nfs/dbraw/zinc/68/78/24/461687824.db2.gz RLCDNSVUXZIDFM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000656262237 461687831 /nfs/dbraw/zinc/68/78/31/461687831.db2.gz RLCDNSVUXZIDFM-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)s1 ZINC000643547258 461758975 /nfs/dbraw/zinc/75/89/75/461758975.db2.gz BWIRVOPLLNRENO-NXEZZACHSA-N 2 2 330.295 3.231 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647485703 461732779 /nfs/dbraw/zinc/73/27/79/461732779.db2.gz QMWFTEOQFXXNBH-OAHLLOKOSA-N 2 2 332.879 3.016 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647485703 461732790 /nfs/dbraw/zinc/73/27/90/461732790.db2.gz QMWFTEOQFXXNBH-OAHLLOKOSA-N 2 2 332.879 3.016 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCCC[NH2+]1 ZINC000643462254 461735403 /nfs/dbraw/zinc/73/54/03/461735403.db2.gz RBVVEOYJUBZZTL-JXFKEZNVSA-N 2 2 325.456 3.281 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cccc(Br)c2OC)CC[C@H]1[NH3+] ZINC000647497343 461736603 /nfs/dbraw/zinc/73/66/03/461736603.db2.gz DIEYGCLWMBFYJR-BXUZGUMPSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cccc(Br)c2OC)CC[C@H]1[NH3+] ZINC000647497343 461736608 /nfs/dbraw/zinc/73/66/08/461736608.db2.gz DIEYGCLWMBFYJR-BXUZGUMPSA-N 2 2 327.266 3.017 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542480 461755242 /nfs/dbraw/zinc/75/52/42/461755242.db2.gz UQEZOQVXIVUWKS-RDJZCZTQSA-N 2 2 336.439 3.017 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542480 461755246 /nfs/dbraw/zinc/75/52/46/461755246.db2.gz UQEZOQVXIVUWKS-RDJZCZTQSA-N 2 2 336.439 3.017 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)c1 ZINC000643537395 461757572 /nfs/dbraw/zinc/75/75/72/461757572.db2.gz GTDHBXRNVKABMF-CMKODMSKSA-N 2 2 328.431 3.269 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000631415324 461761494 /nfs/dbraw/zinc/76/14/94/461761494.db2.gz DFQRQZFUFJINFM-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000631415324 461761503 /nfs/dbraw/zinc/76/15/03/461761503.db2.gz DFQRQZFUFJINFM-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660422492 461768327 /nfs/dbraw/zinc/76/83/27/461768327.db2.gz GPXPJNNKYMCQIE-ZBFHGGJFSA-N 2 2 332.410 3.279 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000660422492 461768330 /nfs/dbraw/zinc/76/83/30/461768330.db2.gz GPXPJNNKYMCQIE-ZBFHGGJFSA-N 2 2 332.410 3.279 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ncccc3O)C2)s1 ZINC000653665186 461795444 /nfs/dbraw/zinc/79/54/44/461795444.db2.gz YAAMKUAJTDONPC-OAHLLOKOSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ncccc3O)C2)s1 ZINC000653665186 461795426 /nfs/dbraw/zinc/79/54/26/461795426.db2.gz YAAMKUAJTDONPC-OAHLLOKOSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ncccc3O)C2)s1 ZINC000653665186 461795430 /nfs/dbraw/zinc/79/54/30/461795430.db2.gz YAAMKUAJTDONPC-OAHLLOKOSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ncccc3O)C2)s1 ZINC000653665186 461795436 /nfs/dbraw/zinc/79/54/36/461795436.db2.gz YAAMKUAJTDONPC-OAHLLOKOSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1cc(CO)cc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000663818654 461820590 /nfs/dbraw/zinc/82/05/90/461820590.db2.gz SAXLOQFUXYXOJJ-LJQANCHMSA-N 2 2 325.456 3.205 20 0 EGADLP Cc1cc(CO)cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000663818654 461820599 /nfs/dbraw/zinc/82/05/99/461820599.db2.gz SAXLOQFUXYXOJJ-LJQANCHMSA-N 2 2 325.456 3.205 20 0 EGADLP C[N@H+](Cc1cccc(F)c1N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639241713 461822405 /nfs/dbraw/zinc/82/24/05/461822405.db2.gz HNECBGHGIDZVOH-UHFFFAOYSA-N 2 2 333.373 3.257 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639241713 461822410 /nfs/dbraw/zinc/82/24/10/461822410.db2.gz HNECBGHGIDZVOH-UHFFFAOYSA-N 2 2 333.373 3.257 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000669934884 461843531 /nfs/dbraw/zinc/84/35/31/461843531.db2.gz XAPNLGZRFQXAGE-MISYRCLQSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000669934884 461843535 /nfs/dbraw/zinc/84/35/35/461843535.db2.gz XAPNLGZRFQXAGE-MISYRCLQSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000666886308 461852874 /nfs/dbraw/zinc/85/28/74/461852874.db2.gz NWRJCIMKPOAQNR-OXJNMPFZSA-N 2 2 347.466 3.164 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647849175 461858094 /nfs/dbraw/zinc/85/80/94/461858094.db2.gz JZUSXNHBTLFDIG-OAHLLOKOSA-N 2 2 343.496 3.445 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647849175 461858099 /nfs/dbraw/zinc/85/80/99/461858099.db2.gz JZUSXNHBTLFDIG-OAHLLOKOSA-N 2 2 343.496 3.445 20 0 EGADLP Cc1cnc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000653799880 461863882 /nfs/dbraw/zinc/86/38/82/461863882.db2.gz FBOHILZLGDOTJF-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cc(CO)cc(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)[nH+]1 ZINC000663910337 461865572 /nfs/dbraw/zinc/86/55/72/461865572.db2.gz IAWREVRIFXWYIU-LJQANCHMSA-N 2 2 343.471 3.384 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660590550 461868500 /nfs/dbraw/zinc/86/85/00/461868500.db2.gz PIMGAOMIJDWRNW-MJGOQNOKSA-N 2 2 328.500 3.292 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660590550 461868506 /nfs/dbraw/zinc/86/85/06/461868506.db2.gz PIMGAOMIJDWRNW-MJGOQNOKSA-N 2 2 328.500 3.292 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000666954338 461886681 /nfs/dbraw/zinc/88/66/81/461886681.db2.gz USVBMGOPVNGLSQ-GOSISDBHSA-N 3 2 333.907 3.036 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925255 461888553 /nfs/dbraw/zinc/88/85/53/461888553.db2.gz ADXULJFZRZKNGN-JKSUJKDBSA-N 2 2 339.483 3.219 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926387 461890081 /nfs/dbraw/zinc/89/00/81/461890081.db2.gz BWAGOXZDQACQSH-MRXNPFEDSA-N 2 2 337.467 3.494 20 0 EGADLP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)CC(C)(C)[NH3+] ZINC000656783343 461892617 /nfs/dbraw/zinc/89/26/17/461892617.db2.gz PQWJVBLJZPIZMP-UHFFFAOYSA-N 2 2 337.208 3.220 20 0 EGADLP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)CC(C)(C)[NH3+] ZINC000656783343 461892626 /nfs/dbraw/zinc/89/26/26/461892626.db2.gz PQWJVBLJZPIZMP-UHFFFAOYSA-N 2 2 337.208 3.220 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(C)([NH+]3CCCC3)CC2)o1 ZINC000639374308 461894921 /nfs/dbraw/zinc/89/49/21/461894921.db2.gz DRSPGLHVEJXLOK-UHFFFAOYSA-N 2 2 342.487 3.439 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000639376444 461895737 /nfs/dbraw/zinc/89/57/37/461895737.db2.gz JLDJWFAPUNJSBS-UHFFFAOYSA-N 2 2 329.488 3.485 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647937969 461895996 /nfs/dbraw/zinc/89/59/96/461895996.db2.gz FWRAYGPNODKRRZ-YRGRVCCFSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000647937969 461896001 /nfs/dbraw/zinc/89/60/01/461896001.db2.gz FWRAYGPNODKRRZ-YRGRVCCFSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647939837 461896196 /nfs/dbraw/zinc/89/61/96/461896196.db2.gz CJXPEYRGRUDDBN-POAQFYNOSA-N 2 2 345.531 3.122 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647939837 461896200 /nfs/dbraw/zinc/89/62/00/461896200.db2.gz CJXPEYRGRUDDBN-POAQFYNOSA-N 2 2 345.531 3.122 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647937898 461896616 /nfs/dbraw/zinc/89/66/16/461896616.db2.gz DNPGWEFAQYTGAK-QINHECLXSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647937898 461896618 /nfs/dbraw/zinc/89/66/18/461896618.db2.gz DNPGWEFAQYTGAK-QINHECLXSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647940273 461898204 /nfs/dbraw/zinc/89/82/04/461898204.db2.gz RUSXBVXLECGFND-LALPHHSUSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647940273 461898208 /nfs/dbraw/zinc/89/82/08/461898208.db2.gz RUSXBVXLECGFND-LALPHHSUSA-N 2 2 343.393 3.092 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1OC ZINC000656789834 461899019 /nfs/dbraw/zinc/89/90/19/461899019.db2.gz AIQZEBRSKONIEU-QZTJIDSGSA-N 2 2 344.430 3.078 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000656790510 461901257 /nfs/dbraw/zinc/90/12/57/461901257.db2.gz WPWZIYYRMBZAHH-RTBURBONSA-N 2 2 330.451 3.147 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651782 461902598 /nfs/dbraw/zinc/90/25/98/461902598.db2.gz CHQMFRSHQYSJHQ-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651782 461902606 /nfs/dbraw/zinc/90/26/06/461902606.db2.gz CHQMFRSHQYSJHQ-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651782 461902613 /nfs/dbraw/zinc/90/26/13/461902613.db2.gz CHQMFRSHQYSJHQ-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651782 461902621 /nfs/dbraw/zinc/90/26/21/461902621.db2.gz CHQMFRSHQYSJHQ-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Br ZINC000650710920 461904977 /nfs/dbraw/zinc/90/49/77/461904977.db2.gz CXEHSGKHLYGSJC-ZWNOBZJWSA-N 2 2 347.322 3.469 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1Br ZINC000650710920 461904982 /nfs/dbraw/zinc/90/49/82/461904982.db2.gz CXEHSGKHLYGSJC-ZWNOBZJWSA-N 2 2 347.322 3.469 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654973 461905035 /nfs/dbraw/zinc/90/50/35/461905035.db2.gz JRBOTDZRRMKCLU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654973 461905042 /nfs/dbraw/zinc/90/50/42/461905042.db2.gz JRBOTDZRRMKCLU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654973 461905048 /nfs/dbraw/zinc/90/50/48/461905048.db2.gz JRBOTDZRRMKCLU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000660654973 461905052 /nfs/dbraw/zinc/90/50/52/461905052.db2.gz JRBOTDZRRMKCLU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000647957855 461908460 /nfs/dbraw/zinc/90/84/60/461908460.db2.gz OXSVMKPRTSPPDY-INIZCTEOSA-N 2 2 347.528 3.177 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000647957855 461908461 /nfs/dbraw/zinc/90/84/61/461908461.db2.gz OXSVMKPRTSPPDY-INIZCTEOSA-N 2 2 347.528 3.177 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656973 461909016 /nfs/dbraw/zinc/90/90/16/461909016.db2.gz YZWXAPSSAWOVHU-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656973 461909021 /nfs/dbraw/zinc/90/90/21/461909021.db2.gz YZWXAPSSAWOVHU-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656973 461909028 /nfs/dbraw/zinc/90/90/28/461909028.db2.gz YZWXAPSSAWOVHU-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656973 461909036 /nfs/dbraw/zinc/90/90/36/461909036.db2.gz YZWXAPSSAWOVHU-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP [NH3+]Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000650717776 461909680 /nfs/dbraw/zinc/90/96/80/461909680.db2.gz LYHCMWVLPSBXGF-UHFFFAOYSA-N 3 2 341.474 3.081 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673752 461918258 /nfs/dbraw/zinc/91/82/58/461918258.db2.gz DYBZFUUZEGHQFQ-QZTJIDSGSA-N 2 2 343.515 3.030 20 0 EGADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1)C(C)C ZINC000660675035 461920260 /nfs/dbraw/zinc/92/02/60/461920260.db2.gz WJIYEKCAHAZTBA-GOSISDBHSA-N 2 2 345.531 3.275 20 0 EGADLP CN(C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC[NH2+]CC1 ZINC000667099746 461949481 /nfs/dbraw/zinc/94/94/81/461949481.db2.gz XRPFUZMIWIPQSL-UHFFFAOYSA-N 2 2 326.400 3.090 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)co2)c1 ZINC000639495585 461955007 /nfs/dbraw/zinc/95/50/07/461955007.db2.gz RPLJLQLATAXKAE-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)co2)c1 ZINC000639495585 461955014 /nfs/dbraw/zinc/95/50/14/461955014.db2.gz RPLJLQLATAXKAE-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1cccc(-c2nc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)co2)c1 ZINC000639495585 461955020 /nfs/dbraw/zinc/95/50/20/461955020.db2.gz RPLJLQLATAXKAE-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP COc1cccc(-c2nc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)co2)c1 ZINC000639495585 461955026 /nfs/dbraw/zinc/95/50/26/461955026.db2.gz RPLJLQLATAXKAE-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546757 461979743 /nfs/dbraw/zinc/97/97/43/461979743.db2.gz SELWVYBNCXZVHO-MOPGFXCFSA-N 2 2 327.472 3.005 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccn1 ZINC000644546757 461979747 /nfs/dbraw/zinc/97/97/47/461979747.db2.gz SELWVYBNCXZVHO-MOPGFXCFSA-N 2 2 327.472 3.005 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000644569499 461990013 /nfs/dbraw/zinc/99/00/13/461990013.db2.gz TTXSVLVDFFGCPQ-IRXDYDNUSA-N 2 2 344.421 3.073 20 0 EGADLP O[C@H](Cc1ccccc1)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856818 461996292 /nfs/dbraw/zinc/99/62/92/461996292.db2.gz XFOGNKMYQRWFML-LJQANCHMSA-N 2 2 349.478 3.421 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000644593465 462002502 /nfs/dbraw/zinc/00/25/02/462002502.db2.gz ZPNIRIOEVRVKSR-SJLPKXTDSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000644593465 462002506 /nfs/dbraw/zinc/00/25/06/462002506.db2.gz ZPNIRIOEVRVKSR-SJLPKXTDSA-N 2 2 344.503 3.128 20 0 EGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OCC ZINC000657289181 462020395 /nfs/dbraw/zinc/02/03/95/462020395.db2.gz HYZJNYKFCNIAEY-CQSZACIVSA-N 2 2 329.444 3.478 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657310714 462034170 /nfs/dbraw/zinc/03/41/70/462034170.db2.gz RPTOFJBVDDQUKX-KRWDZBQOSA-N 3 2 338.499 3.494 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657310714 462034174 /nfs/dbraw/zinc/03/41/74/462034174.db2.gz RPTOFJBVDDQUKX-KRWDZBQOSA-N 3 2 338.499 3.494 20 0 EGADLP Cc1c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cnn1-c1ccc(F)cc1 ZINC000657336557 462055897 /nfs/dbraw/zinc/05/58/97/462055897.db2.gz TWQYEVCIXYVIRD-CYBMUJFWSA-N 2 2 339.418 3.313 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657343110 462059501 /nfs/dbraw/zinc/05/95/01/462059501.db2.gz IOYOQNQUFDDVLW-UHFFFAOYSA-N 2 2 346.393 3.018 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657351772 462065873 /nfs/dbraw/zinc/06/58/73/462065873.db2.gz FDLGOOZILFSLNF-LJQANCHMSA-N 2 2 326.488 3.118 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657351772 462065879 /nfs/dbraw/zinc/06/58/79/462065879.db2.gz FDLGOOZILFSLNF-LJQANCHMSA-N 2 2 326.488 3.118 20 0 EGADLP COCc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000657363080 462072863 /nfs/dbraw/zinc/07/28/63/462072863.db2.gz FZLBVHJZEWMCNX-BEFAXECRSA-N 2 2 345.512 3.290 20 0 EGADLP COCc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000657363080 462072870 /nfs/dbraw/zinc/07/28/70/462072870.db2.gz FZLBVHJZEWMCNX-BEFAXECRSA-N 2 2 345.512 3.290 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432059 462119306 /nfs/dbraw/zinc/11/93/06/462119306.db2.gz NSZAESPXXFSUMK-CEWLAPEOSA-N 3 2 338.499 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657432059 462119310 /nfs/dbraw/zinc/11/93/10/462119310.db2.gz NSZAESPXXFSUMK-CEWLAPEOSA-N 3 2 338.499 3.119 20 0 EGADLP CC(C)Cc1ccc([C@H](CNCc2c[nH+]c3n2CCC3)[NH+](C)C)cc1 ZINC000657466741 462140473 /nfs/dbraw/zinc/14/04/73/462140473.db2.gz ONULIDIUUIUSEP-FQEVSTJZSA-N 2 2 340.515 3.420 20 0 EGADLP CCc1cccc2cc(C[NH+]3CCC([N@H+](C)CCCO)CC3)oc21 ZINC000667637227 462185246 /nfs/dbraw/zinc/18/52/46/462185246.db2.gz MHHRRZWOUZEEPO-UHFFFAOYSA-N 2 2 330.472 3.274 20 0 EGADLP CCc1cccc2cc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)oc21 ZINC000667637227 462185248 /nfs/dbraw/zinc/18/52/48/462185248.db2.gz MHHRRZWOUZEEPO-UHFFFAOYSA-N 2 2 330.472 3.274 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)on2)cc1 ZINC000657635555 462212569 /nfs/dbraw/zinc/21/25/69/462212569.db2.gz UOSATUHVLLPYSM-HOTGVXAUSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)on2)cc1 ZINC000657635555 462212576 /nfs/dbraw/zinc/21/25/76/462212576.db2.gz UOSATUHVLLPYSM-HOTGVXAUSA-N 2 2 327.428 3.067 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667730827 462236024 /nfs/dbraw/zinc/23/60/24/462236024.db2.gz BSTUXSKNNAMAAI-UHFFFAOYSA-N 2 2 337.427 3.015 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000657782149 462264315 /nfs/dbraw/zinc/26/43/15/462264315.db2.gz KTPFLKUBLQIHIF-FQEVSTJZSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657829795 462287046 /nfs/dbraw/zinc/28/70/46/462287046.db2.gz IIFJMQNKUVFWCN-MJBXVCDLSA-N 2 2 327.419 3.169 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657829795 462287049 /nfs/dbraw/zinc/28/70/49/462287049.db2.gz IIFJMQNKUVFWCN-MJBXVCDLSA-N 2 2 327.419 3.169 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1F ZINC000651712170 462312655 /nfs/dbraw/zinc/31/26/55/462312655.db2.gz WSKKMJJWBKBCDF-KRWDZBQOSA-N 2 2 326.456 3.299 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644449 462345807 /nfs/dbraw/zinc/34/58/07/462345807.db2.gz SWOIKIHSYXGIJP-AWEZNQCLSA-N 2 2 328.243 3.164 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644449 462345812 /nfs/dbraw/zinc/34/58/12/462345812.db2.gz SWOIKIHSYXGIJP-AWEZNQCLSA-N 2 2 328.243 3.164 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000654758563 462374939 /nfs/dbraw/zinc/37/49/39/462374939.db2.gz GEHWMFVUUXLCSF-QZTJIDSGSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)[C@@H]1CCCC[NH2+]1 ZINC000665293841 462388320 /nfs/dbraw/zinc/38/83/20/462388320.db2.gz DKVWNEASDIPTKR-DBVUQKKJSA-N 2 2 332.488 3.002 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)[C@@H]1CCCC[NH2+]1 ZINC000665293847 462389290 /nfs/dbraw/zinc/38/92/90/462389290.db2.gz DKVWNEASDIPTKR-VDGAXYAQSA-N 2 2 332.488 3.002 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000665296608 462390833 /nfs/dbraw/zinc/39/08/33/462390833.db2.gz VIWPSRIOEIUAFE-DOMZBBRYSA-N 2 2 329.282 3.114 20 0 EGADLP Fc1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1OC1CC1 ZINC000668084418 462413490 /nfs/dbraw/zinc/41/34/90/462413490.db2.gz KAWCCGXHVNPEAB-QGZVFWFLSA-N 2 2 328.387 3.415 20 0 EGADLP Fc1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1OC1CC1 ZINC000668084418 462413493 /nfs/dbraw/zinc/41/34/93/462413493.db2.gz KAWCCGXHVNPEAB-QGZVFWFLSA-N 2 2 328.387 3.415 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000652142123 462448709 /nfs/dbraw/zinc/44/87/09/462448709.db2.gz IVWSYNKXFCVTMC-HXUWFJFHSA-N 2 2 336.439 3.446 20 0 EGADLP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000645885739 462457149 /nfs/dbraw/zinc/45/71/49/462457149.db2.gz BZOSBGLJMCZUEK-RXVVDRJESA-N 2 2 338.499 3.136 20 0 EGADLP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000645885739 462457157 /nfs/dbraw/zinc/45/71/57/462457157.db2.gz BZOSBGLJMCZUEK-RXVVDRJESA-N 2 2 338.499 3.136 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000658294591 462459809 /nfs/dbraw/zinc/45/98/09/462459809.db2.gz NTMBVRIVOWRGNN-MAUKXSAKSA-N 2 2 325.456 3.139 20 0 EGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295710 462461569 /nfs/dbraw/zinc/46/15/69/462461569.db2.gz VEKAQSYTMXWADH-RTWAWAEBSA-N 2 2 346.515 3.071 20 0 EGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000649267895 462462188 /nfs/dbraw/zinc/46/21/88/462462188.db2.gz GMRVRDJPRUUPEQ-ZWKOTPCHSA-N 2 2 349.837 3.063 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@@H]1[NH3+] ZINC000649416475 462503208 /nfs/dbraw/zinc/50/32/08/462503208.db2.gz BIIAORVBBNWNHI-GUYCJALGSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@@H]1[NH3+] ZINC000649416475 462503213 /nfs/dbraw/zinc/50/32/13/462503213.db2.gz BIIAORVBBNWNHI-GUYCJALGSA-N 2 2 331.485 3.378 20 0 EGADLP CC1CC[NH+]([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2ccccc2)CC1 ZINC000607143807 479782112 /nfs/dbraw/zinc/78/21/12/479782112.db2.gz KJIXUSKXWVPFDB-SFHVURJKSA-N 2 2 339.487 3.428 20 0 EGADLP COc1cc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)ccc1Cl ZINC000623369128 480252795 /nfs/dbraw/zinc/25/27/95/480252795.db2.gz PHRZQDHWQSAOHR-UHFFFAOYSA-N 2 2 346.862 3.108 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246829115 534920367 /nfs/dbraw/zinc/92/03/67/534920367.db2.gz BAGHDKMYLVMAES-MJGOQNOKSA-N 2 2 333.520 3.070 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246829115 534920369 /nfs/dbraw/zinc/92/03/69/534920369.db2.gz BAGHDKMYLVMAES-MJGOQNOKSA-N 2 2 333.520 3.070 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC000246946922 535527266 /nfs/dbraw/zinc/52/72/66/535527266.db2.gz JDFHASDUWFRBIK-YOEHRIQHSA-N 2 2 332.492 3.211 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC000246946922 535527269 /nfs/dbraw/zinc/52/72/69/535527269.db2.gz JDFHASDUWFRBIK-YOEHRIQHSA-N 2 2 332.492 3.211 20 0 EGADLP CC[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264139248 536058783 /nfs/dbraw/zinc/05/87/83/536058783.db2.gz NXYMPXHDMSRARG-GOSISDBHSA-N 2 2 345.531 3.055 20 0 EGADLP CC[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264139248 536058789 /nfs/dbraw/zinc/05/87/89/536058789.db2.gz NXYMPXHDMSRARG-GOSISDBHSA-N 2 2 345.531 3.055 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000247197187 536174363 /nfs/dbraw/zinc/17/43/63/536174363.db2.gz OROJBBHMVWERCH-RHSMWYFYSA-N 2 2 333.863 3.469 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000247197187 536174366 /nfs/dbraw/zinc/17/43/66/536174366.db2.gz OROJBBHMVWERCH-RHSMWYFYSA-N 2 2 333.863 3.469 20 0 EGADLP CC(C)n1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000076109825 546584576 /nfs/dbraw/zinc/58/45/76/546584576.db2.gz GPWAFMHINZEPEQ-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000076109825 546584579 /nfs/dbraw/zinc/58/45/79/546584579.db2.gz GPWAFMHINZEPEQ-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000076109825 546584580 /nfs/dbraw/zinc/58/45/80/546584580.db2.gz GPWAFMHINZEPEQ-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000076109825 546584588 /nfs/dbraw/zinc/58/45/88/546584588.db2.gz GPWAFMHINZEPEQ-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184984 546653911 /nfs/dbraw/zinc/65/39/11/546653911.db2.gz SEKHAQZVARCMHW-PXNSSMCTSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184984 546653917 /nfs/dbraw/zinc/65/39/17/546653917.db2.gz SEKHAQZVARCMHW-PXNSSMCTSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000090407532 546656443 /nfs/dbraw/zinc/65/64/43/546656443.db2.gz JBEKEZSXIIUHRI-MAUKXSAKSA-N 2 2 344.528 3.091 20 0 EGADLP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000121378487 546724584 /nfs/dbraw/zinc/72/45/84/546724584.db2.gz SGYRCFNKDKXWTB-WOVMCDHWSA-N 2 2 336.907 3.445 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000156678825 546913326 /nfs/dbraw/zinc/91/33/26/546913326.db2.gz FPZSFQRKTRWBNW-DYESRHJHSA-N 3 2 345.531 3.152 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000163691193 546975293 /nfs/dbraw/zinc/97/52/93/546975293.db2.gz XBDPKXNCDLIAPZ-ZDUSSCGKSA-N 2 2 330.394 3.467 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ncc(Br)s1 ZINC000179237810 547045187 /nfs/dbraw/zinc/04/51/87/547045187.db2.gz ZLNKICZVIAIQCL-JTQLQIEISA-N 2 2 341.278 3.453 20 0 EGADLP COc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1F ZINC000192686714 547203108 /nfs/dbraw/zinc/20/31/08/547203108.db2.gz UZNFMOWQYSIZBX-UHFFFAOYSA-N 2 2 327.403 3.443 20 0 EGADLP CCc1cc(N(CC[NH+](C)C)Cc2ccc(F)cc2F)nc(C)[nH+]1 ZINC000359710697 547753317 /nfs/dbraw/zinc/75/33/17/547753317.db2.gz ZCQZSHFBLBGBBX-UHFFFAOYSA-N 2 2 334.414 3.194 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193407 548259104 /nfs/dbraw/zinc/25/91/04/548259104.db2.gz MQWXPFZEFWKVBD-IERDGZPVSA-N 2 2 334.467 3.216 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193407 548259109 /nfs/dbraw/zinc/25/91/09/548259109.db2.gz MQWXPFZEFWKVBD-IERDGZPVSA-N 2 2 334.467 3.216 20 0 EGADLP C[N@@H+](Cc1ccsc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671239969 548266220 /nfs/dbraw/zinc/26/62/20/548266220.db2.gz SJOLPFMBHFARPR-IBGZPJMESA-N 2 2 330.497 3.471 20 0 EGADLP C[N@H+](Cc1ccsc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671239969 548266226 /nfs/dbraw/zinc/26/62/26/548266226.db2.gz SJOLPFMBHFARPR-IBGZPJMESA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1ccsc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671239969 548266232 /nfs/dbraw/zinc/26/62/32/548266232.db2.gz SJOLPFMBHFARPR-IBGZPJMESA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1ccsc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671239969 548266237 /nfs/dbraw/zinc/26/62/37/548266237.db2.gz SJOLPFMBHFARPR-IBGZPJMESA-N 2 2 330.497 3.471 20 0 EGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000671312275 548277493 /nfs/dbraw/zinc/27/74/93/548277493.db2.gz NKQKQUSNKRKESW-FXAWDEMLSA-N 2 2 340.467 3.454 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000671707913 548338899 /nfs/dbraw/zinc/33/88/99/548338899.db2.gz NVTOGKOVUJQMMF-IHWYPQMZSA-N 3 2 349.469 3.126 20 0 EGADLP c1csc([C@@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCC2)c1 ZINC000674061743 548681929 /nfs/dbraw/zinc/68/19/29/548681929.db2.gz CQFKBIOVDHOZRK-OAHLLOKOSA-N 2 2 343.500 3.387 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000674233111 548708270 /nfs/dbraw/zinc/70/82/70/548708270.db2.gz KBWJASXFHLNHPA-OAHLLOKOSA-N 2 2 338.411 3.453 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000674233111 548708273 /nfs/dbraw/zinc/70/82/73/548708273.db2.gz KBWJASXFHLNHPA-OAHLLOKOSA-N 2 2 338.411 3.453 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000675255619 548881482 /nfs/dbraw/zinc/88/14/82/548881482.db2.gz AQPYRGOILSKWPO-WBVHZDCISA-N 2 2 344.459 3.041 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)s1 ZINC000676489454 549095744 /nfs/dbraw/zinc/09/57/44/549095744.db2.gz PFSILSNSYRTSKY-AWEZNQCLSA-N 2 2 345.512 3.443 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160099 549413682 /nfs/dbraw/zinc/41/36/82/549413682.db2.gz JENKALKSXMHIHX-ICSRJNTNSA-N 2 2 341.455 3.278 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160099 549413685 /nfs/dbraw/zinc/41/36/85/549413685.db2.gz JENKALKSXMHIHX-ICSRJNTNSA-N 2 2 341.455 3.278 20 0 EGADLP CC[C@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C1CC1 ZINC000679143570 549643814 /nfs/dbraw/zinc/64/38/14/549643814.db2.gz KEUJYCXYHYHGJN-INIZCTEOSA-N 2 2 328.460 3.038 20 0 EGADLP CCc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc(C)[nH+]1 ZINC000679838935 549779794 /nfs/dbraw/zinc/77/97/94/549779794.db2.gz CWVZADHNJYMFDC-AWEZNQCLSA-N 2 2 325.460 3.380 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H](c3ccccc3)c3cncnc3)[nH+]c12 ZINC000680465477 549868608 /nfs/dbraw/zinc/86/86/08/549868608.db2.gz KSMCZKZLKXAWJA-FQEVSTJZSA-N 2 2 343.434 3.354 20 0 EGADLP O[C@@H](C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)C(F)(F)F ZINC000682030192 550063680 /nfs/dbraw/zinc/06/36/80/550063680.db2.gz RRFUHUWBNOLDOG-KRWDZBQOSA-N 2 2 344.421 3.288 20 0 EGADLP O[C@@H](C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1)C(F)(F)F ZINC000682030192 550063683 /nfs/dbraw/zinc/06/36/83/550063683.db2.gz RRFUHUWBNOLDOG-KRWDZBQOSA-N 2 2 344.421 3.288 20 0 EGADLP COc1cc(C)c([C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069761 550068745 /nfs/dbraw/zinc/06/87/45/550068745.db2.gz AAJUKPKFKYITKD-ZWKOTPCHSA-N 2 2 332.488 3.027 20 0 EGADLP COc1cc(C)c([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069761 550068747 /nfs/dbraw/zinc/06/87/47/550068747.db2.gz AAJUKPKFKYITKD-ZWKOTPCHSA-N 2 2 332.488 3.027 20 0 EGADLP Oc1cccc2c(NCc3cccc(C[NH+]4CCOCC4)c3)cc[nH+]c12 ZINC000682239317 550085703 /nfs/dbraw/zinc/08/57/03/550085703.db2.gz LUZJXFYROTUPKF-UHFFFAOYSA-N 2 2 349.434 3.385 20 0 EGADLP CCCC(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000683002177 550177152 /nfs/dbraw/zinc/17/71/52/550177152.db2.gz CJGQQPFXFMULCP-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078768 550187519 /nfs/dbraw/zinc/18/75/19/550187519.db2.gz IJWDCLZRMIPRTG-CABCVRRESA-N 2 2 345.491 3.109 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000683693713 550254334 /nfs/dbraw/zinc/25/43/34/550254334.db2.gz CCPRNFCPXXIDRC-LPHOPBHVSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000683693713 550254335 /nfs/dbraw/zinc/25/43/35/550254335.db2.gz CCPRNFCPXXIDRC-LPHOPBHVSA-N 2 2 329.488 3.319 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc4cnccc4c3)[nH+]c2)C1 ZINC000683751676 550257587 /nfs/dbraw/zinc/25/75/87/550257587.db2.gz ZNZPQPHWLJCSMT-FQEVSTJZSA-N 2 2 347.466 3.382 20 0 EGADLP CCCOc1cccc2c(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc[nH+]c12 ZINC000684890232 550381069 /nfs/dbraw/zinc/38/10/69/550381069.db2.gz DTMDXJWIENMPQV-KBXCAEBGSA-N 2 2 329.444 3.155 20 0 EGADLP CCCOc1cccc2c(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc[nH+]c12 ZINC000684890232 550381070 /nfs/dbraw/zinc/38/10/70/550381070.db2.gz DTMDXJWIENMPQV-KBXCAEBGSA-N 2 2 329.444 3.155 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2c2c[nH+]cn2C)o1 ZINC000685303721 550409076 /nfs/dbraw/zinc/40/90/76/550409076.db2.gz CLONIKGTTIDKQD-INIZCTEOSA-N 2 2 344.459 3.222 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)O[C@@H](C)C2 ZINC000685443839 550416990 /nfs/dbraw/zinc/41/69/90/550416990.db2.gz ZPIOTQFHSJMPJB-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)O[C@@H](C)C2 ZINC000685443839 550416993 /nfs/dbraw/zinc/41/69/93/550416993.db2.gz ZPIOTQFHSJMPJB-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(cc1C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)O[C@@H](C)C2 ZINC000685443839 550416995 /nfs/dbraw/zinc/41/69/95/550416995.db2.gz ZPIOTQFHSJMPJB-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(cc1C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O[C@@H](C)C2 ZINC000685443839 550416997 /nfs/dbraw/zinc/41/69/97/550416997.db2.gz ZPIOTQFHSJMPJB-BXEVVDMOSA-N 2 2 330.472 3.076 20 0 EGADLP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000727931465 574704883 /nfs/dbraw/zinc/70/48/83/574704883.db2.gz LRNHWBXFDDVZNY-NEWSRXKRSA-N 2 2 338.536 3.264 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000729921029 574896128 /nfs/dbraw/zinc/89/61/28/574896128.db2.gz SCIOIKNXRJLNNM-KRWDZBQOSA-N 2 2 348.491 3.167 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000729921029 574896129 /nfs/dbraw/zinc/89/61/29/574896129.db2.gz SCIOIKNXRJLNNM-KRWDZBQOSA-N 2 2 348.491 3.167 20 0 EGADLP c1ccc([C@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCC2)cc1 ZINC000733185454 575317711 /nfs/dbraw/zinc/31/77/11/575317711.db2.gz TWPBRNMMCUDUQR-SFHVURJKSA-N 2 2 337.471 3.326 20 0 EGADLP CC(C)[C@H](CNc1nc(N2CCCC2)cc[nH+]1)[NH+]1CCC(C)CC1 ZINC000733187535 575318358 /nfs/dbraw/zinc/31/83/58/575318358.db2.gz QGLZAYJTYLUHIZ-KRWDZBQOSA-N 2 2 331.508 3.245 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000743261174 576804530 /nfs/dbraw/zinc/80/45/30/576804530.db2.gz KMWTZFBDDKJEFN-OAQYLSRUSA-N 2 2 338.495 3.455 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000743261174 576804531 /nfs/dbraw/zinc/80/45/31/576804531.db2.gz KMWTZFBDDKJEFN-OAQYLSRUSA-N 2 2 338.495 3.455 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846223 576816778 /nfs/dbraw/zinc/81/67/78/576816778.db2.gz GMWDGJIVHOSRBX-MOPGFXCFSA-N 2 2 338.455 3.024 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846223 576816779 /nfs/dbraw/zinc/81/67/79/576816779.db2.gz GMWDGJIVHOSRBX-MOPGFXCFSA-N 2 2 338.455 3.024 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000379454971 1297532638 /nfs/dbraw/zinc/53/26/38/1297532638.db2.gz NJCVBONFRWJSAR-IKGGRYGDSA-N 2 2 339.524 3.286 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(OC)c2OC(F)F)CC1 ZINC000061016518 1291956589 /nfs/dbraw/zinc/95/65/89/1291956589.db2.gz JXKDZTHRQGTCCR-UHFFFAOYSA-N 2 2 328.403 3.261 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3F)c2)CCO1 ZINC000063524184 1292014859 /nfs/dbraw/zinc/01/48/59/1292014859.db2.gz CAPCLMKPWALLDF-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3F)c2)CCO1 ZINC000063524184 1292014867 /nfs/dbraw/zinc/01/48/67/1292014867.db2.gz CAPCLMKPWALLDF-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP CCc1nc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cs1 ZINC000067976529 1292179990 /nfs/dbraw/zinc/17/99/90/1292179990.db2.gz AXTFBKSDCSLJIT-OAHLLOKOSA-N 2 2 345.512 3.216 20 0 EGADLP CCc1nc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cs1 ZINC000067976529 1292179997 /nfs/dbraw/zinc/17/99/97/1292179997.db2.gz AXTFBKSDCSLJIT-OAHLLOKOSA-N 2 2 345.512 3.216 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]CCn3cc[nH+]c3)CC[C@@H]21 ZINC000827933778 1292406516 /nfs/dbraw/zinc/40/65/16/1292406516.db2.gz PZFRPVQBKRUFJP-IKGGRYGDSA-N 2 2 348.491 3.041 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000077432575 1292465018 /nfs/dbraw/zinc/46/50/18/1292465018.db2.gz JFAHVCIHHXQJLI-IBGZPJMESA-N 3 2 344.503 3.028 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105456726 1293037854 /nfs/dbraw/zinc/03/78/54/1293037854.db2.gz MGPMYTBKMWVSMK-CQSZACIVSA-N 2 2 326.916 3.407 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105456726 1293037866 /nfs/dbraw/zinc/03/78/66/1293037866.db2.gz MGPMYTBKMWVSMK-CQSZACIVSA-N 2 2 326.916 3.407 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114772422 1293177803 /nfs/dbraw/zinc/17/78/03/1293177803.db2.gz KJUWYSCBXXFQFN-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114772422 1293177806 /nfs/dbraw/zinc/17/78/06/1293177806.db2.gz KJUWYSCBXXFQFN-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119633073 1293281155 /nfs/dbraw/zinc/28/11/55/1293281155.db2.gz LLMSKFAQBUYZRQ-ZWKOTPCHSA-N 2 2 340.870 3.337 20 0 EGADLP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131358382 1293687658 /nfs/dbraw/zinc/68/76/58/1293687658.db2.gz SWMZMRNQJOOFRU-MJGOQNOKSA-N 2 2 327.472 3.025 20 0 EGADLP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131358382 1293687660 /nfs/dbraw/zinc/68/76/60/1293687660.db2.gz SWMZMRNQJOOFRU-MJGOQNOKSA-N 2 2 327.472 3.025 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3CO)CC2)cc1 ZINC000151796714 1293939116 /nfs/dbraw/zinc/93/91/16/1293939116.db2.gz LFCGIGSSYUHDBQ-UHFFFAOYSA-N 2 2 339.483 3.004 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000151880616 1293943917 /nfs/dbraw/zinc/94/39/17/1293943917.db2.gz XDEHDHZZAVKZAE-MRXNPFEDSA-N 2 2 346.475 3.028 20 0 EGADLP CC(C)C[C@H](CCO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000154665495 1294065375 /nfs/dbraw/zinc/06/53/75/1294065375.db2.gz CGLFRCKHSDTJSA-SFHVURJKSA-N 2 2 347.547 3.356 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000159605470 1294241894 /nfs/dbraw/zinc/24/18/94/1294241894.db2.gz RIRTVULUHOPDBV-FXAWDEMLSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000159605470 1294241899 /nfs/dbraw/zinc/24/18/99/1294241899.db2.gz RIRTVULUHOPDBV-FXAWDEMLSA-N 2 2 339.483 3.481 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC000178554267 1294742103 /nfs/dbraw/zinc/74/21/03/1294742103.db2.gz KMHCZWUQXWVIOJ-KRWDZBQOSA-N 2 2 344.421 3.289 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1C[NH+]1CCCCC1 ZINC000182218023 1295027424 /nfs/dbraw/zinc/02/74/24/1295027424.db2.gz GSAKDGCSVFMMFH-QGZVFWFLSA-N 3 2 342.487 3.228 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(F)nc3)CC2)cc1 ZINC000189129122 1295502396 /nfs/dbraw/zinc/50/23/96/1295502396.db2.gz SGCSLVVOYDHRQX-UHFFFAOYSA-N 2 2 328.435 3.045 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192663433 1295787370 /nfs/dbraw/zinc/78/73/70/1295787370.db2.gz YYUGMPGGVGNFGI-LLVKDONJSA-N 2 2 335.275 3.318 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192663433 1295787375 /nfs/dbraw/zinc/78/73/75/1295787375.db2.gz YYUGMPGGVGNFGI-LLVKDONJSA-N 2 2 335.275 3.318 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000236646942 1296193839 /nfs/dbraw/zinc/19/38/39/1296193839.db2.gz JSEVEKSOQSSILI-UHFFFAOYSA-N 2 2 330.451 3.364 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCCCCC[NH3+])C[C@H](C)O1 ZINC000237684719 1296257675 /nfs/dbraw/zinc/25/76/75/1296257675.db2.gz LGLVJPZNLFENFG-IRXDYDNUSA-N 2 2 347.503 3.144 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871886364 1296595401 /nfs/dbraw/zinc/59/54/01/1296595401.db2.gz JLOCNFVESVCQJK-LJQANCHMSA-N 2 2 329.488 3.319 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)ccc1F ZINC000872058480 1296705347 /nfs/dbraw/zinc/70/53/47/1296705347.db2.gz VIIGFWIEKSZFDC-UKRRQHHQSA-N 2 2 344.434 3.240 20 0 EGADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(O)c1F ZINC000872072902 1296718194 /nfs/dbraw/zinc/71/81/94/1296718194.db2.gz LFMJUXFLLPCSEJ-AWEZNQCLSA-N 2 2 347.434 3.108 20 0 EGADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155945 1296771629 /nfs/dbraw/zinc/77/16/29/1296771629.db2.gz BGPHEYAAYOMQTG-HOCLYGCPSA-N 2 2 334.508 3.487 20 0 EGADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155945 1296771641 /nfs/dbraw/zinc/77/16/41/1296771641.db2.gz BGPHEYAAYOMQTG-HOCLYGCPSA-N 2 2 334.508 3.487 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000309909266 1297077517 /nfs/dbraw/zinc/07/75/17/1297077517.db2.gz VIMIRPBNPNUHAX-IXDOHACOSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000309947555 1297081130 /nfs/dbraw/zinc/08/11/30/1297081130.db2.gz RBCXULNEECXAHD-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000309947555 1297081143 /nfs/dbraw/zinc/08/11/43/1297081143.db2.gz RBCXULNEECXAHD-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP Cc1nc(NCC2([NH+](C)C)CCCC2)c(Br)c(C)[nH+]1 ZINC000322842698 1297193540 /nfs/dbraw/zinc/19/35/40/1297193540.db2.gz QXICHHZXAMATJA-UHFFFAOYSA-N 2 2 327.270 3.142 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000873060979 1297253374 /nfs/dbraw/zinc/25/33/74/1297253374.db2.gz OIMQFTXRUFFNBE-VXGBXAGGSA-N 2 2 329.257 3.469 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000873060979 1297253381 /nfs/dbraw/zinc/25/33/81/1297253381.db2.gz OIMQFTXRUFFNBE-VXGBXAGGSA-N 2 2 329.257 3.469 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061073 1297513511 /nfs/dbraw/zinc/51/35/11/1297513511.db2.gz DZHHJFNVFXDONM-WBVHZDCISA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061073 1297513513 /nfs/dbraw/zinc/51/35/13/1297513513.db2.gz DZHHJFNVFXDONM-WBVHZDCISA-N 2 2 340.471 3.189 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000383761375 1297574409 /nfs/dbraw/zinc/57/44/09/1297574409.db2.gz DWDIVDSLTUTSPO-RHSMWYFYSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000383761375 1297574418 /nfs/dbraw/zinc/57/44/18/1297574418.db2.gz DWDIVDSLTUTSPO-RHSMWYFYSA-N 2 2 346.906 3.382 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390549130 1297628311 /nfs/dbraw/zinc/62/83/11/1297628311.db2.gz AVKISILYAQIJJH-GOSISDBHSA-N 2 2 347.503 3.155 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390549130 1297628323 /nfs/dbraw/zinc/62/83/23/1297628323.db2.gz AVKISILYAQIJJH-GOSISDBHSA-N 2 2 347.503 3.155 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000692138650 1298141244 /nfs/dbraw/zinc/14/12/44/1298141244.db2.gz KLLPMHIFQPZUSC-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693879065 1298153570 /nfs/dbraw/zinc/15/35/70/1298153570.db2.gz QZCUFFYUKSADSH-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693879065 1298153573 /nfs/dbraw/zinc/15/35/73/1298153573.db2.gz QZCUFFYUKSADSH-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582530 1298243234 /nfs/dbraw/zinc/24/32/34/1298243234.db2.gz WORKSDDMJAPIHW-MJGOQNOKSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582530 1298243246 /nfs/dbraw/zinc/24/32/46/1298243246.db2.gz WORKSDDMJAPIHW-MJGOQNOKSA-N 2 2 348.494 3.431 20 0 EGADLP CN(c1ccc([NH2+]CCC2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000876823310 1299014363 /nfs/dbraw/zinc/01/43/63/1299014363.db2.gz CHBQZOOJJGMXID-UHFFFAOYSA-N 2 2 331.504 3.446 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877149603 1299184269 /nfs/dbraw/zinc/18/42/69/1299184269.db2.gz DMAKTRFLHIWJHP-TWMKSMIVSA-N 2 2 339.524 3.094 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878663323 1300133298 /nfs/dbraw/zinc/13/32/98/1300133298.db2.gz YAHPPAZFJGPQPE-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878663323 1300133305 /nfs/dbraw/zinc/13/33/05/1300133305.db2.gz YAHPPAZFJGPQPE-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000878663323 1300133312 /nfs/dbraw/zinc/13/33/12/1300133312.db2.gz YAHPPAZFJGPQPE-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878663323 1300133317 /nfs/dbraw/zinc/13/33/17/1300133317.db2.gz YAHPPAZFJGPQPE-TZIWHRDSSA-N 2 2 343.515 3.154 20 0 EGADLP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000758346132 1300857889 /nfs/dbraw/zinc/85/78/89/1300857889.db2.gz ZWSKRZPTHBORNK-ZDUSSCGKSA-N 2 2 348.434 3.500 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000759135945 1301022729 /nfs/dbraw/zinc/02/27/29/1301022729.db2.gz BKRPREIORQIMJI-UHFFFAOYSA-N 2 2 327.513 3.144 20 0 EGADLP c1cn(C[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)c[nH+]1 ZINC000880569669 1301166505 /nfs/dbraw/zinc/16/65/05/1301166505.db2.gz OAFNYCKKSCBRHA-QZTJIDSGSA-N 2 2 335.407 3.054 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC000882951801 1302181077 /nfs/dbraw/zinc/18/10/77/1302181077.db2.gz VVIDJBCRGBHDRJ-INIZCTEOSA-N 2 2 326.444 3.459 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc(C)nn1C ZINC000883208406 1302307330 /nfs/dbraw/zinc/30/73/30/1302307330.db2.gz FXRBGRDSYWLGIP-UHFFFAOYSA-N 2 2 340.475 3.032 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766272489 1302418847 /nfs/dbraw/zinc/41/88/47/1302418847.db2.gz JIVVGJUQYZWFCG-CVEARBPZSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766272489 1302418853 /nfs/dbraw/zinc/41/88/53/1302418853.db2.gz JIVVGJUQYZWFCG-CVEARBPZSA-N 2 2 332.492 3.351 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000767626137 1302724250 /nfs/dbraw/zinc/72/42/50/1302724250.db2.gz AXHNPUAXJGLTDB-SFHVURJKSA-N 2 2 329.444 3.208 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768224247 1302857678 /nfs/dbraw/zinc/85/76/78/1302857678.db2.gz QNHZYFAJKPVKHS-INIZCTEOSA-N 2 2 341.540 3.344 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768224247 1302857688 /nfs/dbraw/zinc/85/76/88/1302857688.db2.gz QNHZYFAJKPVKHS-INIZCTEOSA-N 2 2 341.540 3.344 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3cc(C)ccc3C)CC2)[nH+]c1C ZINC000886667473 1303547946 /nfs/dbraw/zinc/54/79/46/1303547946.db2.gz BCNJHKRKRYZAIS-UHFFFAOYSA-N 2 2 340.471 3.461 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000886707884 1303572882 /nfs/dbraw/zinc/57/28/82/1303572882.db2.gz VOOWUHJIKPHHKG-KZNAEPCWSA-N 2 2 335.536 3.115 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccnc1Cl ZINC000773068378 1303618444 /nfs/dbraw/zinc/61/84/44/1303618444.db2.gz JIRHBWRYVKCROD-RRQGHBQHSA-N 2 2 337.895 3.154 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870310 1303620808 /nfs/dbraw/zinc/62/08/08/1303620808.db2.gz VLGQMWROHCDRCY-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870310 1303620810 /nfs/dbraw/zinc/62/08/10/1303620810.db2.gz VLGQMWROHCDRCY-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870309 1303621595 /nfs/dbraw/zinc/62/15/95/1303621595.db2.gz VLGQMWROHCDRCY-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870309 1303621602 /nfs/dbraw/zinc/62/16/02/1303621602.db2.gz VLGQMWROHCDRCY-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000775628649 1303998538 /nfs/dbraw/zinc/99/85/38/1303998538.db2.gz DDJQXNBCUMSUMH-UHFFFAOYSA-N 2 2 348.531 3.210 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000775634327 1303999455 /nfs/dbraw/zinc/99/94/55/1303999455.db2.gz OBTFXFRIHQBZEA-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000775634327 1303999457 /nfs/dbraw/zinc/99/94/57/1303999457.db2.gz OBTFXFRIHQBZEA-BRWVUGGUSA-N 2 2 339.524 3.286 20 0 EGADLP CC(C)[C@H](O)C1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000776166763 1304104521 /nfs/dbraw/zinc/10/45/21/1304104521.db2.gz FLWSJMANHPXQDV-FQEVSTJZSA-N 2 2 345.531 3.108 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000777007098 1304231815 /nfs/dbraw/zinc/23/18/15/1304231815.db2.gz KXXLIGQWYHXPMS-VNQPRFMTSA-N 2 2 330.394 3.206 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(F)(F)F ZINC000777007098 1304231822 /nfs/dbraw/zinc/23/18/22/1304231822.db2.gz KXXLIGQWYHXPMS-VNQPRFMTSA-N 2 2 330.394 3.206 20 0 EGADLP CCc1noc(C)c1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000777256712 1304276438 /nfs/dbraw/zinc/27/64/38/1304276438.db2.gz RAGZXOWTOMTRSQ-XJKSGUPXSA-N 2 2 343.475 3.254 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779059364 1304524264 /nfs/dbraw/zinc/52/42/64/1304524264.db2.gz XIJKTRJPCSTRHB-BBWFWOEESA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779059364 1304524268 /nfs/dbraw/zinc/52/42/68/1304524268.db2.gz XIJKTRJPCSTRHB-BBWFWOEESA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)CC[NH+](CCC(C)C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783973091 1305169583 /nfs/dbraw/zinc/16/95/83/1305169583.db2.gz NYZXVQWJTANREY-KRWDZBQOSA-N 2 2 334.508 3.088 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228243 1305287507 /nfs/dbraw/zinc/28/75/07/1305287507.db2.gz NPULKAGJFUQVPA-YPMHNXCESA-N 2 2 333.423 3.164 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228243 1305287512 /nfs/dbraw/zinc/28/75/12/1305287512.db2.gz NPULKAGJFUQVPA-YPMHNXCESA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228243 1305287515 /nfs/dbraw/zinc/28/75/15/1305287515.db2.gz NPULKAGJFUQVPA-YPMHNXCESA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@@H]21 ZINC000892228243 1305287520 /nfs/dbraw/zinc/28/75/20/1305287520.db2.gz NPULKAGJFUQVPA-YPMHNXCESA-N 2 2 333.423 3.164 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)cc(Cl)c1 ZINC000785611294 1305392369 /nfs/dbraw/zinc/39/23/69/1305392369.db2.gz XLORMWCKBHSGSK-GOSISDBHSA-N 2 2 345.805 3.488 20 0 EGADLP FC(F)(F)Cc1ncc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000893362118 1305848686 /nfs/dbraw/zinc/84/86/86/1305848686.db2.gz WRVJVSNFLNRGFN-UHFFFAOYSA-N 2 2 330.379 3.235 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788242289 1305904854 /nfs/dbraw/zinc/90/48/54/1305904854.db2.gz DMBMKXMQFYFPNJ-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788242289 1305904856 /nfs/dbraw/zinc/90/48/56/1305904856.db2.gz DMBMKXMQFYFPNJ-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H](C[NH2+][C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1)[NH+](C)C ZINC000788593230 1305976956 /nfs/dbraw/zinc/97/69/56/1305976956.db2.gz GYQUTTRECZETGV-HYVNUMGLSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)CCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790373287 1306312043 /nfs/dbraw/zinc/31/20/43/1306312043.db2.gz RPNJKWWCGFRIFK-HXUWFJFHSA-N 2 2 349.519 3.009 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cc[nH]c(=O)c1 ZINC000791133632 1308926769 /nfs/dbraw/zinc/92/67/69/1308926769.db2.gz BYROGPFAWZDBJR-OAHLLOKOSA-N 2 2 335.517 3.190 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000895034897 1309165959 /nfs/dbraw/zinc/16/59/59/1309165959.db2.gz YVNHDNOZTZSCMS-QPJJXVBHSA-N 2 2 345.506 3.331 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000895034897 1309165963 /nfs/dbraw/zinc/16/59/63/1309165963.db2.gz YVNHDNOZTZSCMS-QPJJXVBHSA-N 2 2 345.506 3.331 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)[C@@H]1SC ZINC000895705737 1309475764 /nfs/dbraw/zinc/47/57/64/1309475764.db2.gz FKNXWIXTPNOLRM-MLHJIOFPSA-N 2 2 331.485 3.123 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000896921747 1310085904 /nfs/dbraw/zinc/08/59/04/1310085904.db2.gz RIHVOEQNEBSJII-UHFFFAOYSA-N 2 2 328.460 3.188 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000896921747 1310085914 /nfs/dbraw/zinc/08/59/14/1310085914.db2.gz RIHVOEQNEBSJII-UHFFFAOYSA-N 2 2 328.460 3.188 20 0 EGADLP Cc1ccc([C@@H](O)[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000797059742 1310134850 /nfs/dbraw/zinc/13/48/50/1310134850.db2.gz KVEQGEWHCZQMDE-UZLBHIALSA-N 2 2 325.456 3.071 20 0 EGADLP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)C2)c1 ZINC000897227719 1310231303 /nfs/dbraw/zinc/23/13/03/1310231303.db2.gz GBUBEOIXLPWSNE-YVNUBYTISA-N 2 2 336.426 3.054 20 0 EGADLP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)C2)c1 ZINC000897227719 1310231309 /nfs/dbraw/zinc/23/13/09/1310231309.db2.gz GBUBEOIXLPWSNE-YVNUBYTISA-N 2 2 336.426 3.054 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000798958262 1310463497 /nfs/dbraw/zinc/46/34/97/1310463497.db2.gz RGZFBCQGEDOZMH-UHFFFAOYSA-N 2 2 348.491 3.346 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000798958262 1310463502 /nfs/dbraw/zinc/46/35/02/1310463502.db2.gz RGZFBCQGEDOZMH-UHFFFAOYSA-N 2 2 348.491 3.346 20 0 EGADLP COc1cccc(-c2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)on2)c1 ZINC000897841667 1310487774 /nfs/dbraw/zinc/48/77/74/1310487774.db2.gz NGHCUJDPMNOBEF-UHFFFAOYSA-N 2 2 329.444 3.313 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001019040249 1317017233 /nfs/dbraw/zinc/01/72/33/1317017233.db2.gz QRXDESZFTVPPQR-YJBOKZPZSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C)C2)c(C)[nH+]1 ZINC001019171574 1317086135 /nfs/dbraw/zinc/08/61/35/1317086135.db2.gz DEFDDOBRHBRZIE-IBGZPJMESA-N 2 2 337.467 3.320 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900327307 1317273286 /nfs/dbraw/zinc/27/32/86/1317273286.db2.gz PEWYKOUZJPRLSZ-HZPDHXFCSA-N 2 2 348.516 3.084 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900327307 1317273296 /nfs/dbraw/zinc/27/32/96/1317273296.db2.gz PEWYKOUZJPRLSZ-HZPDHXFCSA-N 2 2 348.516 3.084 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@H]2CCC[NH2+]2)cc1 ZINC000902436140 1317577747 /nfs/dbraw/zinc/57/77/47/1317577747.db2.gz XMAMFUGQBPTKQS-JOCLIGHLSA-N 2 2 332.488 3.019 20 0 EGADLP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC000902738215 1317610067 /nfs/dbraw/zinc/61/00/67/1317610067.db2.gz CKKLQMZMKBOSKT-RDTXWAMCSA-N 2 2 333.439 3.179 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cn(C)nn1 ZINC000902747291 1317611082 /nfs/dbraw/zinc/61/10/82/1317611082.db2.gz DONANIKBUVZJFW-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cn(C)nn1 ZINC000902747291 1317611084 /nfs/dbraw/zinc/61/10/84/1317611084.db2.gz DONANIKBUVZJFW-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902815088 1317619343 /nfs/dbraw/zinc/61/93/43/1317619343.db2.gz SOEMRTBRJBMPAV-KBXCAEBGSA-N 2 2 327.453 3.492 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001020296340 1317632375 /nfs/dbraw/zinc/63/23/75/1317632375.db2.gz NDBFOZRHOBJKDJ-QAQDUYKDSA-N 2 2 338.455 3.304 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000903421221 1317698794 /nfs/dbraw/zinc/69/87/94/1317698794.db2.gz FUVJLQWETVJBLW-QFBILLFUSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000903421221 1317698799 /nfs/dbraw/zinc/69/87/99/1317698799.db2.gz FUVJLQWETVJBLW-QFBILLFUSA-N 2 2 349.482 3.038 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739131 1317728718 /nfs/dbraw/zinc/72/87/18/1317728718.db2.gz CRJADZKHFJFRON-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739131 1317728725 /nfs/dbraw/zinc/72/87/25/1317728725.db2.gz CRJADZKHFJFRON-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739131 1317728729 /nfs/dbraw/zinc/72/87/29/1317728729.db2.gz CRJADZKHFJFRON-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739131 1317728737 /nfs/dbraw/zinc/72/87/37/1317728737.db2.gz CRJADZKHFJFRON-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccs3)no2)CCC1 ZINC000903814660 1317736081 /nfs/dbraw/zinc/73/60/81/1317736081.db2.gz OKLIWKKBSSSXDH-AWEZNQCLSA-N 2 2 332.473 3.282 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nc(-c3cccs3)no2)CCC1 ZINC000903814660 1317736085 /nfs/dbraw/zinc/73/60/85/1317736085.db2.gz OKLIWKKBSSSXDH-AWEZNQCLSA-N 2 2 332.473 3.282 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000903867139 1317739694 /nfs/dbraw/zinc/73/96/94/1317739694.db2.gz ZGMXUMIOJWHBJM-INIZCTEOSA-N 2 2 342.270 3.150 20 0 EGADLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000903867139 1317739699 /nfs/dbraw/zinc/73/96/99/1317739699.db2.gz ZGMXUMIOJWHBJM-INIZCTEOSA-N 2 2 342.270 3.150 20 0 EGADLP COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903915491 1317747211 /nfs/dbraw/zinc/74/72/11/1317747211.db2.gz ZSJQFSFFSXHSIJ-INIZCTEOSA-N 2 2 349.425 3.117 20 0 EGADLP COc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903915491 1317747214 /nfs/dbraw/zinc/74/72/14/1317747214.db2.gz ZSJQFSFFSXHSIJ-INIZCTEOSA-N 2 2 349.425 3.117 20 0 EGADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC2)C1 ZINC000904335252 1317833275 /nfs/dbraw/zinc/83/32/75/1317833275.db2.gz BILBJMNQIYKEPM-AEFFLSMTSA-N 2 2 337.552 3.111 20 0 EGADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809594487 1317838463 /nfs/dbraw/zinc/83/84/63/1317838463.db2.gz XUZQEMBOJUZUAR-INIZCTEOSA-N 2 2 344.528 3.435 20 0 EGADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809594487 1317838471 /nfs/dbraw/zinc/83/84/71/1317838471.db2.gz XUZQEMBOJUZUAR-INIZCTEOSA-N 2 2 344.528 3.435 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@](C)(O)C(F)F)CCCC1)c1ccccc1 ZINC000905113041 1317925358 /nfs/dbraw/zinc/92/53/58/1317925358.db2.gz CBHBOMWCKSNVML-RHSMWYFYSA-N 2 2 326.431 3.256 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c(C)[nH+]1 ZINC000908489251 1318352645 /nfs/dbraw/zinc/35/26/45/1318352645.db2.gz BHCNDKUSCMFXKV-UHFFFAOYSA-N 2 2 329.488 3.391 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001022286689 1318876671 /nfs/dbraw/zinc/87/66/71/1318876671.db2.gz UBQPNWCNADDTIG-CALCHBBNSA-N 2 2 340.471 3.384 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022286429 1318877302 /nfs/dbraw/zinc/87/73/02/1318877302.db2.gz QMIGZGAAFSAZNZ-CALCHBBNSA-N 2 2 348.450 3.230 20 0 EGADLP c1csc([C@@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2nnc[nH]2)c1 ZINC000815586264 1319022958 /nfs/dbraw/zinc/02/29/58/1319022958.db2.gz DCGVTEKCMHDLQS-VMBOVVBDSA-N 2 2 345.516 3.342 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898705 1319037778 /nfs/dbraw/zinc/03/77/78/1319037778.db2.gz FGMCDPPUDXUMJY-HKUYNNGSSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898705 1319037786 /nfs/dbraw/zinc/03/77/86/1319037786.db2.gz FGMCDPPUDXUMJY-HKUYNNGSSA-N 2 2 344.503 3.257 20 0 EGADLP CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214773 1319342307 /nfs/dbraw/zinc/34/23/07/1319342307.db2.gz TYXFBNYYUCMPOQ-ZWKOTPCHSA-N 2 2 329.488 3.201 20 0 EGADLP CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214773 1319342314 /nfs/dbraw/zinc/34/23/14/1319342314.db2.gz TYXFBNYYUCMPOQ-ZWKOTPCHSA-N 2 2 329.488 3.201 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001023445571 1319544125 /nfs/dbraw/zinc/54/41/25/1319544125.db2.gz USPOKOSWPDAIFT-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001023445571 1319544131 /nfs/dbraw/zinc/54/41/31/1319544131.db2.gz USPOKOSWPDAIFT-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433217 1319586868 /nfs/dbraw/zinc/58/68/68/1319586868.db2.gz UZAPMNXIVZDYGN-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433217 1319586873 /nfs/dbraw/zinc/58/68/73/1319586873.db2.gz UZAPMNXIVZDYGN-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819077605 1319628815 /nfs/dbraw/zinc/62/88/15/1319628815.db2.gz BLGUPRJJLCDDCR-CZUORRHYSA-N 2 2 331.287 3.491 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000823517879 1320184939 /nfs/dbraw/zinc/18/49/39/1320184939.db2.gz BHCMEXOBEFVMPJ-FVQHAEBGSA-N 2 2 347.503 3.205 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000843053794 1321463249 /nfs/dbraw/zinc/46/32/49/1321463249.db2.gz JWBKQYXXWFMLMY-GOOCMWNKSA-N 2 2 336.863 3.346 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000843053794 1321463252 /nfs/dbraw/zinc/46/32/52/1321463252.db2.gz JWBKQYXXWFMLMY-GOOCMWNKSA-N 2 2 336.863 3.346 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)c2cc1Cl ZINC000843348079 1321503759 /nfs/dbraw/zinc/50/37/59/1321503759.db2.gz UPXQDBLPMWFHLT-LBPRGKRZSA-N 2 2 334.847 3.180 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c2cc1Cl ZINC000843348079 1321503768 /nfs/dbraw/zinc/50/37/68/1321503768.db2.gz UPXQDBLPMWFHLT-LBPRGKRZSA-N 2 2 334.847 3.180 20 0 EGADLP CCc1cc2oc(=O)cc(C[NH2+][C@](C)(C[NH3+])C3CC3)c2cc1Cl ZINC000843355912 1321505345 /nfs/dbraw/zinc/50/53/45/1321505345.db2.gz MFSRCFWUURFAOY-GOSISDBHSA-N 2 2 334.847 3.226 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)cnc2Cl)CC1 ZINC000843391789 1321510166 /nfs/dbraw/zinc/51/01/66/1321510166.db2.gz JMLUQJJFHMFQKD-UHFFFAOYSA-N 2 2 346.700 3.271 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000846850481 1321816696 /nfs/dbraw/zinc/81/66/96/1321816696.db2.gz WYIKYKASAXHROD-GOSISDBHSA-N 2 2 343.471 3.100 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccco1 ZINC000849051629 1322060204 /nfs/dbraw/zinc/06/02/04/1322060204.db2.gz RJDPHKSPVULVSU-RDJZCZTQSA-N 2 2 328.460 3.065 20 0 EGADLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1cccc(F)c1 ZINC000849079932 1322069906 /nfs/dbraw/zinc/06/99/06/1322069906.db2.gz BATQQBCWNLYJGO-MRXNPFEDSA-N 2 2 336.361 3.343 20 0 EGADLP c1nn(C2CCC2)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000921526596 1322340712 /nfs/dbraw/zinc/34/07/12/1322340712.db2.gz GKGMPBUIFCHNQI-UHFFFAOYSA-N 2 2 338.499 3.405 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822287 1322405837 /nfs/dbraw/zinc/40/58/37/1322405837.db2.gz RTRFPLDNUNNFHR-JKSUJKDBSA-N 2 2 348.491 3.167 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924650814 1323093719 /nfs/dbraw/zinc/09/37/19/1323093719.db2.gz XSWVTBTUZVRLQB-HNNXBMFYSA-N 2 2 348.491 3.041 20 0 EGADLP COc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccn1 ZINC000924717214 1323130898 /nfs/dbraw/zinc/13/08/98/1323130898.db2.gz UPBUWCBJDDTORD-HXUWFJFHSA-N 2 2 336.439 3.364 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000852108635 1323149311 /nfs/dbraw/zinc/14/93/11/1323149311.db2.gz JGRVEDHRTCABDL-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000852108635 1323149317 /nfs/dbraw/zinc/14/93/17/1323149317.db2.gz JGRVEDHRTCABDL-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000852108635 1323149320 /nfs/dbraw/zinc/14/93/20/1323149320.db2.gz JGRVEDHRTCABDL-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000852108635 1323149322 /nfs/dbraw/zinc/14/93/22/1323149322.db2.gz JGRVEDHRTCABDL-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000924772501 1323154968 /nfs/dbraw/zinc/15/49/68/1323154968.db2.gz BYIQLCYJJTYFKP-NSISKUIASA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000924772501 1323154972 /nfs/dbraw/zinc/15/49/72/1323154972.db2.gz BYIQLCYJJTYFKP-NSISKUIASA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1F ZINC000924805883 1323170883 /nfs/dbraw/zinc/17/08/83/1323170883.db2.gz LQQUYMNSBQQKIT-YSGRDPCXSA-N 2 2 349.469 3.398 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1F ZINC000924805883 1323170887 /nfs/dbraw/zinc/17/08/87/1323170887.db2.gz LQQUYMNSBQQKIT-YSGRDPCXSA-N 2 2 349.469 3.398 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000925547048 1325202352 /nfs/dbraw/zinc/20/23/52/1325202352.db2.gz NFFNVHMGTPBGSG-GOSISDBHSA-N 2 2 341.430 3.308 20 0 EGADLP CS[C@@H]1CCC[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000925938445 1325364877 /nfs/dbraw/zinc/36/48/77/1325364877.db2.gz YBUNIUDVWRAHAO-BHYGNILZSA-N 2 2 334.533 3.308 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]CCC2CC2)C3)c(C)[nH+]1 ZINC000964455217 1325533393 /nfs/dbraw/zinc/53/33/93/1325533393.db2.gz QWQSEGURSYNWTL-UHFFFAOYSA-N 2 2 341.499 3.438 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000926683843 1327665370 /nfs/dbraw/zinc/66/53/70/1327665370.db2.gz AJSBHASYKLDSJX-UHFFFAOYSA-N 2 2 330.520 3.282 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059324 1327835296 /nfs/dbraw/zinc/83/52/96/1327835296.db2.gz DIRZASILMBFKTH-PWIZWCRZSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059324 1327835302 /nfs/dbraw/zinc/83/53/02/1327835302.db2.gz DIRZASILMBFKTH-PWIZWCRZSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cc(C4CC4)nn3C)CC2)C1 ZINC000927099638 1327861514 /nfs/dbraw/zinc/86/15/14/1327861514.db2.gz RILOEBXKSUMUSJ-MAUKXSAKSA-N 2 2 330.520 3.430 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610386 1327974090 /nfs/dbraw/zinc/97/40/90/1327974090.db2.gz KTSNNPZCCIKXBY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610386 1327974096 /nfs/dbraw/zinc/97/40/96/1327974096.db2.gz KTSNNPZCCIKXBY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027610386 1327974103 /nfs/dbraw/zinc/97/41/03/1327974103.db2.gz KTSNNPZCCIKXBY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027610386 1327974110 /nfs/dbraw/zinc/97/41/10/1327974110.db2.gz KTSNNPZCCIKXBY-LPHOPBHVSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001027664101 1328055529 /nfs/dbraw/zinc/05/55/29/1328055529.db2.gz PLEJFPHFJLBFDT-GOSISDBHSA-N 2 2 344.503 3.074 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001027664101 1328055537 /nfs/dbraw/zinc/05/55/37/1328055537.db2.gz PLEJFPHFJLBFDT-GOSISDBHSA-N 2 2 344.503 3.074 20 0 EGADLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865439282 1329697598 /nfs/dbraw/zinc/69/75/98/1329697598.db2.gz RJQJQFPCHLIWGF-UHFFFAOYSA-N 2 2 340.349 3.027 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000865753563 1329735007 /nfs/dbraw/zinc/73/50/07/1329735007.db2.gz JZADEFXRMGSSJG-HZPDHXFCSA-N 2 2 327.394 3.262 20 0 EGADLP CN(CC[NH+]1CCCCC1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934085211 1329945462 /nfs/dbraw/zinc/94/54/62/1329945462.db2.gz PDFHEZGBFSDLBI-UHFFFAOYSA-N 2 2 345.491 3.022 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3Cc4ncccc4N4CCC[C@H]4C3)cc2)c[nH+]1 ZINC000934494820 1329983587 /nfs/dbraw/zinc/98/35/87/1329983587.db2.gz QEWIVXRSLUNVCL-IBGZPJMESA-N 2 2 345.450 3.252 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3Cc4ncccc4N4CCC[C@H]4C3)cc2)c[nH+]1 ZINC000934494820 1329983589 /nfs/dbraw/zinc/98/35/89/1329983589.db2.gz QEWIVXRSLUNVCL-IBGZPJMESA-N 2 2 345.450 3.252 20 0 EGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000866239517 1330083758 /nfs/dbraw/zinc/08/37/58/1330083758.db2.gz SHZBCJYHOCEHFU-IBGZPJMESA-N 2 2 334.423 3.361 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339524 1330098384 /nfs/dbraw/zinc/09/83/84/1330098384.db2.gz LBNGLUUMUSWUBI-SMDDNHRTSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339524 1330098387 /nfs/dbraw/zinc/09/83/87/1330098387.db2.gz LBNGLUUMUSWUBI-SMDDNHRTSA-N 2 2 334.407 3.016 20 0 EGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000866667039 1330139714 /nfs/dbraw/zinc/13/97/14/1330139714.db2.gz ZDIYRIVRUCENEL-HOTGVXAUSA-N 2 2 344.286 3.107 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702279 1330142628 /nfs/dbraw/zinc/14/26/28/1330142628.db2.gz ADBQGPHXGDKESN-YWZLYKJASA-N 2 2 347.503 3.028 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702279 1330142629 /nfs/dbraw/zinc/14/26/29/1330142629.db2.gz ADBQGPHXGDKESN-YWZLYKJASA-N 2 2 347.503 3.028 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766414 1332259061 /nfs/dbraw/zinc/25/90/61/1332259061.db2.gz IHMKBHADBIIISH-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766414 1332259063 /nfs/dbraw/zinc/25/90/63/1332259063.db2.gz IHMKBHADBIIISH-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CC1CCCC1 ZINC000947539695 1333164256 /nfs/dbraw/zinc/16/42/56/1333164256.db2.gz GGEQFQMKVKMHPA-WBVHZDCISA-N 2 2 340.471 3.107 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CC1CCCC1 ZINC000947539695 1333164259 /nfs/dbraw/zinc/16/42/59/1333164259.db2.gz GGEQFQMKVKMHPA-WBVHZDCISA-N 2 2 340.471 3.107 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947979181 1333330669 /nfs/dbraw/zinc/33/06/69/1333330669.db2.gz BXDOAZKWBZDRFW-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947979181 1333330672 /nfs/dbraw/zinc/33/06/72/1333330672.db2.gz BXDOAZKWBZDRFW-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCC1CCCCCC1 ZINC000948090753 1333372002 /nfs/dbraw/zinc/37/20/02/1333372002.db2.gz NTKPLURSNTYPHC-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCC1CCCCCC1 ZINC000948090753 1333372007 /nfs/dbraw/zinc/37/20/07/1333372007.db2.gz NTKPLURSNTYPHC-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948451772 1333531634 /nfs/dbraw/zinc/53/16/34/1333531634.db2.gz DUVATRPXBLCBJK-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948451772 1333531636 /nfs/dbraw/zinc/53/16/36/1333531636.db2.gz DUVATRPXBLCBJK-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948451772 1333531640 /nfs/dbraw/zinc/53/16/40/1333531640.db2.gz DUVATRPXBLCBJK-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948451772 1333531642 /nfs/dbraw/zinc/53/16/42/1333531642.db2.gz DUVATRPXBLCBJK-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCC[N@@H+](CCC(C)C)CC2)c[nH+]1 ZINC000948474604 1333540079 /nfs/dbraw/zinc/54/00/79/1333540079.db2.gz XFAYVUOTPZBXGO-SFHVURJKSA-N 2 2 348.535 3.286 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCC[N@H+](CCC(C)C)CC2)c[nH+]1 ZINC000948474604 1333540081 /nfs/dbraw/zinc/54/00/81/1333540081.db2.gz XFAYVUOTPZBXGO-SFHVURJKSA-N 2 2 348.535 3.286 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617347 1333598616 /nfs/dbraw/zinc/59/86/16/1333598616.db2.gz PIKBFDOWQIILHX-INIZCTEOSA-N 2 2 328.460 3.061 20 0 EGADLP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617347 1333598618 /nfs/dbraw/zinc/59/86/18/1333598618.db2.gz PIKBFDOWQIILHX-INIZCTEOSA-N 2 2 328.460 3.061 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969969184 1336267875 /nfs/dbraw/zinc/26/78/75/1336267875.db2.gz BPVIHQNOJLUVJV-CYBMUJFWSA-N 2 2 340.471 3.049 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001006291167 1336484370 /nfs/dbraw/zinc/48/43/70/1336484370.db2.gz APOYWAHMIXQCNI-UHFFFAOYSA-N 2 2 346.519 3.190 20 0 EGADLP CN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006473718 1336514029 /nfs/dbraw/zinc/51/40/29/1336514029.db2.gz VADQAVYDCDYTLC-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008090351 1336767378 /nfs/dbraw/zinc/76/73/78/1336767378.db2.gz UAIDKZKWQUKTHD-GOSISDBHSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008090351 1336767380 /nfs/dbraw/zinc/76/73/80/1336767380.db2.gz UAIDKZKWQUKTHD-GOSISDBHSA-N 2 2 338.455 3.033 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014809169 1337913784 /nfs/dbraw/zinc/91/37/84/1337913784.db2.gz CFPRCOVDDUDHNT-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014809169 1337913786 /nfs/dbraw/zinc/91/37/86/1337913786.db2.gz CFPRCOVDDUDHNT-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001014809169 1337913789 /nfs/dbraw/zinc/91/37/89/1337913789.db2.gz CFPRCOVDDUDHNT-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001014809169 1337913791 /nfs/dbraw/zinc/91/37/91/1337913791.db2.gz CFPRCOVDDUDHNT-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC001014903329 1337944362 /nfs/dbraw/zinc/94/43/62/1337944362.db2.gz ZNPSHTTWDMKMEV-GOSISDBHSA-N 2 2 344.503 3.008 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC001014903329 1337944367 /nfs/dbraw/zinc/94/43/67/1337944367.db2.gz ZNPSHTTWDMKMEV-GOSISDBHSA-N 2 2 344.503 3.008 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001014939272 1337960683 /nfs/dbraw/zinc/96/06/83/1337960683.db2.gz BQAFUORFRUZMME-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001014939272 1337960686 /nfs/dbraw/zinc/96/06/86/1337960686.db2.gz BQAFUORFRUZMME-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941601 1337961018 /nfs/dbraw/zinc/96/10/18/1337961018.db2.gz ORJFBNFGMAPRLD-RDJZCZTQSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941601 1337961021 /nfs/dbraw/zinc/96/10/21/1337961021.db2.gz ORJFBNFGMAPRLD-RDJZCZTQSA-N 2 2 348.450 3.437 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015427669 1338137081 /nfs/dbraw/zinc/13/70/81/1338137081.db2.gz YLBBUJYTWWCETD-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015427669 1338137082 /nfs/dbraw/zinc/13/70/82/1338137082.db2.gz YLBBUJYTWWCETD-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC23CC[NH+](CCC2CC2)CC3)c(C)[nH+]1 ZINC001016743097 1338709614 /nfs/dbraw/zinc/70/96/14/1338709614.db2.gz PGBPEGFDKSHRNE-GOSISDBHSA-N 2 2 341.499 3.391 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632865 1340735592 /nfs/dbraw/zinc/73/55/92/1340735592.db2.gz SXURLJFZKAVCSR-OAHLLOKOSA-N 2 2 328.460 3.051 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632865 1340735594 /nfs/dbraw/zinc/73/55/94/1340735594.db2.gz SXURLJFZKAVCSR-OAHLLOKOSA-N 2 2 328.460 3.051 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)c[nH+]1 ZINC001029355830 1340976264 /nfs/dbraw/zinc/97/62/64/1340976264.db2.gz IPWPEAFYGJFJBZ-CALCHBBNSA-N 2 2 346.519 3.038 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)c[nH+]1 ZINC001029355830 1340976265 /nfs/dbraw/zinc/97/62/65/1340976265.db2.gz IPWPEAFYGJFJBZ-CALCHBBNSA-N 2 2 346.519 3.038 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033191723 1341748665 /nfs/dbraw/zinc/74/86/65/1341748665.db2.gz LDKAGSNFFXLDEV-QGZVFWFLSA-N 2 2 338.455 3.210 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033191723 1341748667 /nfs/dbraw/zinc/74/86/67/1341748667.db2.gz LDKAGSNFFXLDEV-QGZVFWFLSA-N 2 2 338.455 3.210 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833506 1342033877 /nfs/dbraw/zinc/03/38/77/1342033877.db2.gz PAOKRMJCCZXUSK-CRAIPNDOSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833506 1342033878 /nfs/dbraw/zinc/03/38/78/1342033878.db2.gz PAOKRMJCCZXUSK-CRAIPNDOSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271477 1342362208 /nfs/dbraw/zinc/36/22/08/1342362208.db2.gz NIBSONNJNZVQGM-ZBFHGGJFSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271477 1342362211 /nfs/dbraw/zinc/36/22/11/1342362211.db2.gz NIBSONNJNZVQGM-ZBFHGGJFSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035210417 1343028703 /nfs/dbraw/zinc/02/87/03/1343028703.db2.gz KRGBVUSRKBPNPO-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035210417 1343028707 /nfs/dbraw/zinc/02/87/07/1343028707.db2.gz KRGBVUSRKBPNPO-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001036273818 1343391070 /nfs/dbraw/zinc/39/10/70/1343391070.db2.gz HOMQCAGVQANWDR-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001036476219 1343506205 /nfs/dbraw/zinc/50/62/05/1343506205.db2.gz YXSNPBOYLSFFIZ-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036595330 1343568610 /nfs/dbraw/zinc/56/86/10/1343568610.db2.gz ZJJLNTSBMZTDPG-KXBFYZLASA-N 2 2 346.519 3.058 20 0 EGADLP O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001037043541 1343945734 /nfs/dbraw/zinc/94/57/34/1343945734.db2.gz QFESPCFGJCNIJM-ROUUACIJSA-N 2 2 348.450 3.023 20 0 EGADLP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001037244902 1344065127 /nfs/dbraw/zinc/06/51/27/1344065127.db2.gz ARIYFAVYPUFXHB-IEBWSBKVSA-N 2 2 340.471 3.159 20 0 EGADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037911095 1344173589 /nfs/dbraw/zinc/17/35/89/1344173589.db2.gz YVXFEHSQHWZFNH-OALUTQOASA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037963530 1344206694 /nfs/dbraw/zinc/20/66/94/1344206694.db2.gz ZSIBUDDMMNLSSJ-DLBZAZTESA-N 2 2 346.519 3.094 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@@H+]3CC3CCCCC3)ccn12 ZINC001038252690 1344344405 /nfs/dbraw/zinc/34/44/05/1344344405.db2.gz KOUWQHIIAFEHSY-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@H+]3CC3CCCCC3)ccn12 ZINC001038252690 1344344407 /nfs/dbraw/zinc/34/44/07/1344344407.db2.gz KOUWQHIIAFEHSY-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1C/C=C\c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416875 1344419204 /nfs/dbraw/zinc/41/92/04/1344419204.db2.gz PWHWYAWLEVRUBC-NCRRVARUSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1C/C=C\c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416875 1344419205 /nfs/dbraw/zinc/41/92/05/1344419205.db2.gz PWHWYAWLEVRUBC-NCRRVARUSA-N 2 2 346.434 3.080 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001039449286 1345073622 /nfs/dbraw/zinc/07/36/22/1345073622.db2.gz LZZYKQUNQUHLQF-LZQZEXGQSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001039449286 1345073625 /nfs/dbraw/zinc/07/36/25/1345073625.db2.gz LZZYKQUNQUHLQF-LZQZEXGQSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001039449286 1345073627 /nfs/dbraw/zinc/07/36/27/1345073627.db2.gz LZZYKQUNQUHLQF-LZQZEXGQSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001039449286 1345073631 /nfs/dbraw/zinc/07/36/31/1345073631.db2.gz LZZYKQUNQUHLQF-LZQZEXGQSA-N 2 2 346.519 3.090 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001042848144 1346120937 /nfs/dbraw/zinc/12/09/37/1346120937.db2.gz LZSSFAIIFXXPST-PXNSSMCTSA-N 2 2 343.515 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001042848144 1346120941 /nfs/dbraw/zinc/12/09/41/1346120941.db2.gz LZSSFAIIFXXPST-PXNSSMCTSA-N 2 2 343.515 3.073 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044810029 1346432386 /nfs/dbraw/zinc/43/23/86/1346432386.db2.gz SPTPOURDFXOCQF-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001045129068 1346500135 /nfs/dbraw/zinc/50/01/35/1346500135.db2.gz ZAXPBHKYKXOSAE-SYGMWZTRSA-N 2 2 329.488 3.247 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935854 1346772962 /nfs/dbraw/zinc/77/29/62/1346772962.db2.gz UWUILPLRRHULTB-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935854 1346772963 /nfs/dbraw/zinc/77/29/63/1346772963.db2.gz UWUILPLRRHULTB-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)c[nH+]1 ZINC001045947797 1346783371 /nfs/dbraw/zinc/78/33/71/1346783371.db2.gz OPIPHSIRXHCFEU-FQEVSTJZSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@@]3(CC[N@H+](C(C)C)C3)C2)c[nH+]1 ZINC001045947797 1346783373 /nfs/dbraw/zinc/78/33/73/1346783373.db2.gz OPIPHSIRXHCFEU-FQEVSTJZSA-N 2 2 346.519 3.040 20 0 EGADLP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048549318 1347588914 /nfs/dbraw/zinc/58/89/14/1347588914.db2.gz YMZWWTBFJQZPHL-BCDXTJNWSA-N 2 2 329.488 3.390 20 0 EGADLP CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001048549318 1347588915 /nfs/dbraw/zinc/58/89/15/1347588915.db2.gz YMZWWTBFJQZPHL-BCDXTJNWSA-N 2 2 329.488 3.390 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052377884 1348535567 /nfs/dbraw/zinc/53/55/67/1348535567.db2.gz COSQOIAITZIHTC-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052377884 1348535568 /nfs/dbraw/zinc/53/55/68/1348535568.db2.gz COSQOIAITZIHTC-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001052497096 1348558748 /nfs/dbraw/zinc/55/87/48/1348558748.db2.gz BYCSDJWCLNBOFE-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001052497096 1348558750 /nfs/dbraw/zinc/55/87/50/1348558750.db2.gz BYCSDJWCLNBOFE-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001052498183 1348559230 /nfs/dbraw/zinc/55/92/30/1348559230.db2.gz FBERGUNKOSABME-SFHVURJKSA-N 2 2 348.450 3.347 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001052498183 1348559231 /nfs/dbraw/zinc/55/92/31/1348559231.db2.gz FBERGUNKOSABME-SFHVURJKSA-N 2 2 348.450 3.347 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036511 1348836879 /nfs/dbraw/zinc/83/68/79/1348836879.db2.gz MAYCWIFWIGWION-RTBURBONSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036511 1348836883 /nfs/dbraw/zinc/83/68/83/1348836883.db2.gz MAYCWIFWIGWION-RTBURBONSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053094147 1348922318 /nfs/dbraw/zinc/92/23/18/1348922318.db2.gz UAJPGEDMUYDZHZ-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053094147 1348922321 /nfs/dbraw/zinc/92/23/21/1348922321.db2.gz UAJPGEDMUYDZHZ-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071605595 1354791013 /nfs/dbraw/zinc/79/10/13/1354791013.db2.gz BGPFDPUPPSJCIE-AEFFLSMTSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071605595 1354791017 /nfs/dbraw/zinc/79/10/17/1354791017.db2.gz BGPFDPUPPSJCIE-AEFFLSMTSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001071608298 1354792981 /nfs/dbraw/zinc/79/29/81/1354792981.db2.gz VYCARYPPQRZRRG-SJORKVTESA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC(C)(C)C)C2)c[nH+]1 ZINC001071608298 1354792985 /nfs/dbraw/zinc/79/29/85/1354792985.db2.gz VYCARYPPQRZRRG-SJORKVTESA-N 2 2 348.535 3.332 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@@H+]1CC1CCCC1 ZINC001071610566 1354794641 /nfs/dbraw/zinc/79/46/41/1354794641.db2.gz VFKNNMMGWLMAIH-YOEHRIQHSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CC1CCCC1 ZINC001071610566 1354794643 /nfs/dbraw/zinc/79/46/43/1354794643.db2.gz VFKNNMMGWLMAIH-YOEHRIQHSA-N 2 2 340.471 3.336 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072029756 1355091632 /nfs/dbraw/zinc/09/16/32/1355091632.db2.gz JNTQPLLCUZPFFR-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001072029756 1355091638 /nfs/dbraw/zinc/09/16/38/1355091638.db2.gz JNTQPLLCUZPFFR-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001183271701 1387288924 /nfs/dbraw/zinc/28/89/24/1387288924.db2.gz OBPHLCUZLOOZPQ-FOIQADDNSA-N 2 2 348.535 3.161 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183629412 1387325519 /nfs/dbraw/zinc/32/55/19/1387325519.db2.gz LVFFTRSVXDZQAJ-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183629176 1387325550 /nfs/dbraw/zinc/32/55/50/1387325550.db2.gz KCZYWSRJIAAPHT-GDBMZVCRSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001085346212 1358474353 /nfs/dbraw/zinc/47/43/53/1358474353.db2.gz LGERECBOWGEZDI-KFKAGJAMSA-N 2 2 340.471 3.039 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001085672730 1358677507 /nfs/dbraw/zinc/67/75/07/1358677507.db2.gz FNHJTCVCWXNGBN-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001085672730 1358677511 /nfs/dbraw/zinc/67/75/11/1358677511.db2.gz FNHJTCVCWXNGBN-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001086434733 1359096160 /nfs/dbraw/zinc/09/61/60/1359096160.db2.gz GTTYPTRDUMIOFK-SUNRXUCSSA-N 2 2 329.488 3.151 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920406 1359247310 /nfs/dbraw/zinc/24/73/10/1359247310.db2.gz NXBSDHJWNVTEBC-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C[C@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001086954012 1359274232 /nfs/dbraw/zinc/27/42/32/1359274232.db2.gz ABKZVCSEAFPGSQ-MRXNPFEDSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1)n1cc[nH+]c1 ZINC001087220401 1359325335 /nfs/dbraw/zinc/32/53/35/1359325335.db2.gz OWCXVOIQKARPPO-LMMKCTJWSA-N 2 2 346.519 3.241 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CCCC1 ZINC001087624510 1359560540 /nfs/dbraw/zinc/56/05/40/1359560540.db2.gz IPDVHCBBZXFIGB-PKOBYXMFSA-N 2 2 340.471 3.336 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CCCC1 ZINC001087624510 1359560544 /nfs/dbraw/zinc/56/05/44/1359560544.db2.gz IPDVHCBBZXFIGB-PKOBYXMFSA-N 2 2 340.471 3.336 20 0 EGADLP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184651965 1387503738 /nfs/dbraw/zinc/50/37/38/1387503738.db2.gz JLEOZCWXOCMUET-JKSUJKDBSA-N 2 2 340.471 3.217 20 0 EGADLP CCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001184654993 1387504138 /nfs/dbraw/zinc/50/41/38/1387504138.db2.gz XVMSJRHJJNJAFC-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416549 1361792015 /nfs/dbraw/zinc/79/20/15/1361792015.db2.gz ZFZZOTZHKURETH-YLJYHZDGSA-N 2 2 340.471 3.027 20 0 EGADLP CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416549 1361792018 /nfs/dbraw/zinc/79/20/18/1361792018.db2.gz ZFZZOTZHKURETH-YLJYHZDGSA-N 2 2 340.471 3.027 20 0 EGADLP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098814413 1363479284 /nfs/dbraw/zinc/47/92/84/1363479284.db2.gz PRWAXNYFSAIEQP-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048827 1363593344 /nfs/dbraw/zinc/59/33/44/1363593344.db2.gz KPPXHPKHILEEQL-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099048827 1363593347 /nfs/dbraw/zinc/59/33/47/1363593347.db2.gz KPPXHPKHILEEQL-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158664 1363662786 /nfs/dbraw/zinc/66/27/86/1363662786.db2.gz KCJAPMKYEXUZFR-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099158664 1363662788 /nfs/dbraw/zinc/66/27/88/1363662788.db2.gz KCJAPMKYEXUZFR-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100293103 1364070727 /nfs/dbraw/zinc/07/07/27/1364070727.db2.gz FJXYRQQTNKSXCK-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001101064062 1364397806 /nfs/dbraw/zinc/39/78/06/1364397806.db2.gz VVVWJFAAHHUMSX-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001101592191 1364643479 /nfs/dbraw/zinc/64/34/79/1364643479.db2.gz RHZKTTGJBVFXMI-UHFFFAOYSA-N 2 2 348.535 3.305 20 0 EGADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001185490775 1387729763 /nfs/dbraw/zinc/72/97/63/1387729763.db2.gz CAYCPGUTHZZTAD-JKSUJKDBSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145600 1365407342 /nfs/dbraw/zinc/40/73/42/1365407342.db2.gz MPRGLMCUCDRSBD-GDBMZVCRSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145600 1365407346 /nfs/dbraw/zinc/40/73/46/1365407346.db2.gz MPRGLMCUCDRSBD-GDBMZVCRSA-N 2 2 340.471 3.051 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185595765 1387758937 /nfs/dbraw/zinc/75/89/37/1387758937.db2.gz WOWXHQDGSXUBTK-ROUUACIJSA-N 2 2 348.535 3.007 20 0 EGADLP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274435 1365974605 /nfs/dbraw/zinc/97/46/05/1365974605.db2.gz PKGZJJXCHIKFFV-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274435 1365974606 /nfs/dbraw/zinc/97/46/06/1365974606.db2.gz PKGZJJXCHIKFFV-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566798 1366535076 /nfs/dbraw/zinc/53/50/76/1366535076.db2.gz VPRUVIAEXVIWDH-QZTJIDSGSA-N 2 2 346.519 3.384 20 0 EGADLP CC[C@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582216 1366543451 /nfs/dbraw/zinc/54/34/51/1366543451.db2.gz QLPNZFHVNCPTPT-ROUUACIJSA-N 2 2 346.519 3.070 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](CCC(F)(F)F)CC1CC1 ZINC001191416514 1367499308 /nfs/dbraw/zinc/49/93/08/1367499308.db2.gz JGIXGFRZGVYEKI-QGZVFWFLSA-N 2 2 344.421 3.144 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](CCC(F)(F)F)CC1CC1 ZINC001191416514 1367499311 /nfs/dbraw/zinc/49/93/11/1367499311.db2.gz JGIXGFRZGVYEKI-QGZVFWFLSA-N 2 2 344.421 3.144 20 0 EGADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC001191416514 1367499315 /nfs/dbraw/zinc/49/93/15/1367499315.db2.gz JGIXGFRZGVYEKI-QGZVFWFLSA-N 2 2 344.421 3.144 20 0 EGADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC001191416514 1367499317 /nfs/dbraw/zinc/49/93/17/1367499317.db2.gz JGIXGFRZGVYEKI-QGZVFWFLSA-N 2 2 344.421 3.144 20 0 EGADLP CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730634 1367562530 /nfs/dbraw/zinc/56/25/30/1367562530.db2.gz UQGVEDVENRWFBL-KSZLIROESA-N 2 2 329.488 3.390 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717818 1367946374 /nfs/dbraw/zinc/94/63/74/1367946374.db2.gz JFVLTOHJDDHOCZ-SUMDDJOVSA-N 2 2 340.471 3.478 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717818 1367946377 /nfs/dbraw/zinc/94/63/77/1367946377.db2.gz JFVLTOHJDDHOCZ-SUMDDJOVSA-N 2 2 340.471 3.478 20 0 EGADLP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193221050 1367969966 /nfs/dbraw/zinc/96/99/66/1367969966.db2.gz YNCQQTWJMBCWBC-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193221050 1367969969 /nfs/dbraw/zinc/96/99/69/1367969969.db2.gz YNCQQTWJMBCWBC-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001111078062 1368153194 /nfs/dbraw/zinc/15/31/94/1368153194.db2.gz IAALJRGRMFHAPX-OWYHZJEWSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001111078062 1368153195 /nfs/dbraw/zinc/15/31/95/1368153195.db2.gz IAALJRGRMFHAPX-OWYHZJEWSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001111885311 1368528793 /nfs/dbraw/zinc/52/87/93/1368528793.db2.gz KDNJREKVNCLANU-UWVAXJGDSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001111885311 1368528798 /nfs/dbraw/zinc/52/87/98/1368528798.db2.gz KDNJREKVNCLANU-UWVAXJGDSA-N 2 2 346.519 3.241 20 0 EGADLP CC[NH+](CC)CCN(CCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC001196003543 1368533413 /nfs/dbraw/zinc/53/34/13/1368533413.db2.gz AQJJFVIDUJRUMQ-UHFFFAOYSA-N 2 2 334.895 3.381 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125854 1368749471 /nfs/dbraw/zinc/74/94/71/1368749471.db2.gz NATJSJVPZKEOHA-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125854 1368749477 /nfs/dbraw/zinc/74/94/77/1368749477.db2.gz NATJSJVPZKEOHA-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1ccc(OC(F)(F)F)cc1 ZINC001197702461 1368876658 /nfs/dbraw/zinc/87/66/58/1368876658.db2.gz XZWUEWFFEJCNKN-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1ccc(OC(F)(F)F)cc1 ZINC001197702461 1368876661 /nfs/dbraw/zinc/87/66/61/1368876661.db2.gz XZWUEWFFEJCNKN-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1ccc(OC(F)(F)F)cc1 ZINC001197702461 1368876664 /nfs/dbraw/zinc/87/66/64/1368876664.db2.gz XZWUEWFFEJCNKN-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1ccc(OC(F)(F)F)cc1 ZINC001197702461 1368876669 /nfs/dbraw/zinc/87/66/69/1368876669.db2.gz XZWUEWFFEJCNKN-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001112991407 1369126409 /nfs/dbraw/zinc/12/64/09/1369126409.db2.gz LRJFIINADOOPIG-IBGZPJMESA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183043 1369491616 /nfs/dbraw/zinc/49/16/16/1369491616.db2.gz RXRLNFRJUQWQPU-FUHWJXTLSA-N 2 2 334.508 3.097 20 0 EGADLP CCC/C=C\CC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001201223964 1369498463 /nfs/dbraw/zinc/49/84/63/1369498463.db2.gz IMCAWZAWJFMWND-FPLPWBNLSA-N 2 2 346.519 3.254 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560265 1369576651 /nfs/dbraw/zinc/57/66/51/1369576651.db2.gz QVBUQTRGFOEMFS-PMACEKPBSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560265 1369576654 /nfs/dbraw/zinc/57/66/54/1369576654.db2.gz QVBUQTRGFOEMFS-PMACEKPBSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201560265 1369576660 /nfs/dbraw/zinc/57/66/60/1369576660.db2.gz QVBUQTRGFOEMFS-PMACEKPBSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201560265 1369576665 /nfs/dbraw/zinc/57/66/65/1369576665.db2.gz QVBUQTRGFOEMFS-PMACEKPBSA-N 2 2 340.552 3.264 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201588454 1369583524 /nfs/dbraw/zinc/58/35/24/1369583524.db2.gz BSSSZLBHEHBVLS-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)CC[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201629977 1369593470 /nfs/dbraw/zinc/59/34/70/1369593470.db2.gz HGTIAWCVVLRNMT-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)CC[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201629977 1369593472 /nfs/dbraw/zinc/59/34/72/1369593472.db2.gz HGTIAWCVVLRNMT-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cc[nH+]c2cc(Nc3cc[nH+]c(N4CC[NH+](C)CC4)c3)ccc12 ZINC001201666914 1369601948 /nfs/dbraw/zinc/60/19/48/1369601948.db2.gz IBIZFGPEJUDCKE-UHFFFAOYSA-N 3 2 333.439 3.434 20 0 EGADLP FC(F)(F)CCC[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001202416583 1369766806 /nfs/dbraw/zinc/76/68/06/1369766806.db2.gz ZDDGJKKIRLTCFT-HZPDHXFCSA-N 2 2 334.426 3.152 20 0 EGADLP FC(F)(F)CCC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001202416583 1369766815 /nfs/dbraw/zinc/76/68/15/1369766815.db2.gz ZDDGJKKIRLTCFT-HZPDHXFCSA-N 2 2 334.426 3.152 20 0 EGADLP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001202416583 1369766830 /nfs/dbraw/zinc/76/68/30/1369766830.db2.gz ZDDGJKKIRLTCFT-HZPDHXFCSA-N 2 2 334.426 3.152 20 0 EGADLP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001202416583 1369766840 /nfs/dbraw/zinc/76/68/40/1369766840.db2.gz ZDDGJKKIRLTCFT-HZPDHXFCSA-N 2 2 334.426 3.152 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](Cc3cccc4nonc43)CC1)C2 ZINC001203138315 1369994473 /nfs/dbraw/zinc/99/44/73/1369994473.db2.gz SXVOPKXNXLQHQD-UHFFFAOYSA-N 2 2 348.450 3.246 20 0 EGADLP c1ccc2c(c1)CC[N@H+](C1CC[NH+](Cc3cccc4nonc43)CC1)C2 ZINC001203138315 1369994478 /nfs/dbraw/zinc/99/44/78/1369994478.db2.gz SXVOPKXNXLQHQD-UHFFFAOYSA-N 2 2 348.450 3.246 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnc5ccccn45)C[C@@H]3C2)cc1 ZINC001203149358 1370000339 /nfs/dbraw/zinc/00/03/39/1370000339.db2.gz YGQWCZXDVDVUQO-PMACEKPBSA-N 2 2 346.478 3.207 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1OC ZINC001203783133 1370262415 /nfs/dbraw/zinc/26/24/15/1370262415.db2.gz UREUWDQRHRUFPY-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1OC ZINC001203783133 1370262418 /nfs/dbraw/zinc/26/24/18/1370262418.db2.gz UREUWDQRHRUFPY-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203953771 1370328916 /nfs/dbraw/zinc/32/89/16/1370328916.db2.gz STJDBXQBHDNESA-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203953771 1370328920 /nfs/dbraw/zinc/32/89/20/1370328920.db2.gz STJDBXQBHDNESA-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001203953771 1370328921 /nfs/dbraw/zinc/32/89/21/1370328921.db2.gz STJDBXQBHDNESA-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001203953771 1370328925 /nfs/dbraw/zinc/32/89/25/1370328925.db2.gz STJDBXQBHDNESA-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP Fc1cc(F)cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204230801 1370416619 /nfs/dbraw/zinc/41/66/19/1370416619.db2.gz YJUOYWBSCLDUSZ-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cc(F)cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204230801 1370416621 /nfs/dbraw/zinc/41/66/21/1370416621.db2.gz YJUOYWBSCLDUSZ-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cc(F)cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204230801 1370416622 /nfs/dbraw/zinc/41/66/22/1370416622.db2.gz YJUOYWBSCLDUSZ-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cc(F)cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204230801 1370416625 /nfs/dbraw/zinc/41/66/25/1370416625.db2.gz YJUOYWBSCLDUSZ-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP CCc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)o1 ZINC001204390713 1370463294 /nfs/dbraw/zinc/46/32/94/1370463294.db2.gz JJLCWXLGZSWMKQ-UHFFFAOYSA-N 2 2 342.487 3.083 20 0 EGADLP CCc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)o1 ZINC001204390713 1370463297 /nfs/dbraw/zinc/46/32/97/1370463297.db2.gz JJLCWXLGZSWMKQ-UHFFFAOYSA-N 2 2 342.487 3.083 20 0 EGADLP c1ccc2nc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001204500387 1370493989 /nfs/dbraw/zinc/49/39/89/1370493989.db2.gz SREMXKITJICUHM-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510287 1370509671 /nfs/dbraw/zinc/50/96/71/1370509671.db2.gz NZRPGJOKFWQSRB-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CC4CC4)CCCCC3)ccn12 ZINC001115538743 1370535558 /nfs/dbraw/zinc/53/55/58/1370535558.db2.gz WIVHEZJIHWWQCR-UHFFFAOYSA-N 2 2 340.471 3.075 20 0 EGADLP CC(C)(C)[NH2+]Cc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001204684036 1370545202 /nfs/dbraw/zinc/54/52/02/1370545202.db2.gz MDUZXHAIYQNBMC-SFHVURJKSA-N 2 2 340.471 3.284 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001204969184 1370617515 /nfs/dbraw/zinc/61/75/15/1370617515.db2.gz URAGNYCAFYWZJH-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001204969184 1370617518 /nfs/dbraw/zinc/61/75/18/1370617518.db2.gz URAGNYCAFYWZJH-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP CCCCCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115643758 1370634431 /nfs/dbraw/zinc/63/44/31/1370634431.db2.gz NHVGVZHUHFGBHL-UHFFFAOYSA-N 2 2 348.535 3.342 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)[nH]1 ZINC001205263434 1370699738 /nfs/dbraw/zinc/69/97/38/1370699738.db2.gz NVAWIPTXJCXNKX-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP C[C@]1([NH3+])CCC[N@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)CC1 ZINC001205297076 1370711659 /nfs/dbraw/zinc/71/16/59/1370711659.db2.gz YNBSEQGNPQLWOX-HNNXBMFYSA-N 2 2 342.365 3.165 20 0 EGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)CC1 ZINC001205297076 1370711663 /nfs/dbraw/zinc/71/16/63/1370711663.db2.gz YNBSEQGNPQLWOX-HNNXBMFYSA-N 2 2 342.365 3.165 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303991 1370713845 /nfs/dbraw/zinc/71/38/45/1370713845.db2.gz MHOHSBUCOXFZKO-STQMWFEESA-N 2 2 338.546 3.313 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303991 1370713847 /nfs/dbraw/zinc/71/38/47/1370713847.db2.gz MHOHSBUCOXFZKO-STQMWFEESA-N 2 2 338.546 3.313 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303272 1370714398 /nfs/dbraw/zinc/71/43/98/1370714398.db2.gz BWFNBLWZPSOAKU-GWCFXTLKSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205303272 1370714404 /nfs/dbraw/zinc/71/44/04/1370714404.db2.gz BWFNBLWZPSOAKU-GWCFXTLKSA-N 2 2 329.257 3.313 20 0 EGADLP CC(=O)Nc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)ccc1C ZINC001116065430 1370830191 /nfs/dbraw/zinc/83/01/91/1370830191.db2.gz PTMATAVQZPNOOV-UHFFFAOYSA-N 2 2 349.394 3.095 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001116190530 1370856155 /nfs/dbraw/zinc/85/61/55/1370856155.db2.gz QQIWWZACXFLYCD-QGZVFWFLSA-N 2 2 327.472 3.480 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)CCC1(F)F ZINC001205795664 1370874690 /nfs/dbraw/zinc/87/46/90/1370874690.db2.gz KAWOLUPYKRCRMZ-HNNXBMFYSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(-c3ccncc3)c2)CCC1(F)F ZINC001205795664 1370874696 /nfs/dbraw/zinc/87/46/96/1370874696.db2.gz KAWOLUPYKRCRMZ-HNNXBMFYSA-N 2 2 335.373 3.304 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N2[C@@H](C)CCC[C@@H]2C)[nH+]1 ZINC001116346490 1370890377 /nfs/dbraw/zinc/89/03/77/1370890377.db2.gz VFSANLXLGAZNMR-BZSNNMDCSA-N 2 2 344.503 3.056 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N2[C@@H](C)CCC[C@@H]2C)[nH+]1 ZINC001116346490 1370890386 /nfs/dbraw/zinc/89/03/86/1370890386.db2.gz VFSANLXLGAZNMR-BZSNNMDCSA-N 2 2 344.503 3.056 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205925895 1370913895 /nfs/dbraw/zinc/91/38/95/1370913895.db2.gz ZYKCWTSTUJYFAU-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205925895 1370913896 /nfs/dbraw/zinc/91/38/96/1370913896.db2.gz ZYKCWTSTUJYFAU-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP Cc1cc(N2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)c2ccccc2[nH+]1 ZINC001206285916 1371012693 /nfs/dbraw/zinc/01/26/93/1371012693.db2.gz PJVDHVHISBDDRC-GOSISDBHSA-N 3 2 338.499 3.197 20 0 EGADLP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001326077045 1388109436 /nfs/dbraw/zinc/10/94/36/1388109436.db2.gz VBUADKNJIYQRQE-AWEZNQCLSA-N 2 2 334.895 3.147 20 0 EGADLP [NH3+]C[C@@]1(F)CCCCN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001206371769 1371035986 /nfs/dbraw/zinc/03/59/86/1371035986.db2.gz WAQOBCFRXYWWTQ-KRWDZBQOSA-N 2 2 336.842 3.179 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C2([NH3+])CC2)cc1 ZINC001206520112 1371082546 /nfs/dbraw/zinc/08/25/46/1371082546.db2.gz NJQASKBIDXIREL-UHFFFAOYSA-N 2 2 338.451 3.142 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770987 1371159488 /nfs/dbraw/zinc/15/94/88/1371159488.db2.gz VLQMWROJPYPBSR-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206770987 1371159490 /nfs/dbraw/zinc/15/94/90/1371159490.db2.gz VLQMWROJPYPBSR-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207010195 1371266032 /nfs/dbraw/zinc/26/60/32/1371266032.db2.gz KQBZMIXTPITWMQ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207010195 1371266038 /nfs/dbraw/zinc/26/60/38/1371266038.db2.gz KQBZMIXTPITWMQ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062540 1371283502 /nfs/dbraw/zinc/28/35/02/1371283502.db2.gz HFPGVLAJWFXBPN-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062540 1371283505 /nfs/dbraw/zinc/28/35/05/1371283505.db2.gz HFPGVLAJWFXBPN-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062540 1371283511 /nfs/dbraw/zinc/28/35/11/1371283511.db2.gz HFPGVLAJWFXBPN-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062540 1371283515 /nfs/dbraw/zinc/28/35/15/1371283515.db2.gz HFPGVLAJWFXBPN-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2cc[nH]c(=O)c2)CC1 ZINC001207126335 1371302428 /nfs/dbraw/zinc/30/24/28/1371302428.db2.gz OVUZXHYYPWLGGZ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cc[nH]c(=O)c2)CC1 ZINC001207126335 1371302434 /nfs/dbraw/zinc/30/24/34/1371302434.db2.gz OVUZXHYYPWLGGZ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP CC[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207246444 1371340780 /nfs/dbraw/zinc/34/07/80/1371340780.db2.gz XUKIKEATZUWBPJ-MRXNPFEDSA-N 2 2 339.524 3.050 20 0 EGADLP CC[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207246444 1371340785 /nfs/dbraw/zinc/34/07/85/1371340785.db2.gz XUKIKEATZUWBPJ-MRXNPFEDSA-N 2 2 339.524 3.050 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001207280598 1371349060 /nfs/dbraw/zinc/34/90/60/1371349060.db2.gz WSNBQUMNOHKDIW-USXIJHARSA-N 2 2 349.544 3.370 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001207280598 1371349066 /nfs/dbraw/zinc/34/90/66/1371349066.db2.gz WSNBQUMNOHKDIW-USXIJHARSA-N 2 2 349.544 3.370 20 0 EGADLP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356869 1371372529 /nfs/dbraw/zinc/37/25/29/1371372529.db2.gz KTXUDADVLXTMKW-IKGGRYGDSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356869 1371372535 /nfs/dbraw/zinc/37/25/35/1371372535.db2.gz KTXUDADVLXTMKW-IKGGRYGDSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CCO1 ZINC001207356869 1371372541 /nfs/dbraw/zinc/37/25/41/1371372541.db2.gz KTXUDADVLXTMKW-IKGGRYGDSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CCO1 ZINC001207356869 1371372548 /nfs/dbraw/zinc/37/25/48/1371372548.db2.gz KTXUDADVLXTMKW-IKGGRYGDSA-N 2 2 349.544 3.245 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360418 1371373447 /nfs/dbraw/zinc/37/34/47/1371373447.db2.gz YWTKPBVSCGKSCB-SJORKVTESA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360418 1371373451 /nfs/dbraw/zinc/37/34/51/1371373451.db2.gz YWTKPBVSCGKSCB-SJORKVTESA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360418 1371373456 /nfs/dbraw/zinc/37/34/56/1371373456.db2.gz YWTKPBVSCGKSCB-SJORKVTESA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360418 1371373461 /nfs/dbraw/zinc/37/34/61/1371373461.db2.gz YWTKPBVSCGKSCB-SJORKVTESA-N 2 2 348.535 3.305 20 0 EGADLP c1cc(-c2ccc3c(C4C[NH+](C[C@@H]5CCCOC5)C4)[nH+]cn3c2)co1 ZINC001207468349 1371403966 /nfs/dbraw/zinc/40/39/66/1371403966.db2.gz OYUMVFVCNORVSP-HNNXBMFYSA-N 2 2 337.423 3.420 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120011008 1371454788 /nfs/dbraw/zinc/45/47/88/1371454788.db2.gz YUKOIIQVBSKEDI-KRWDZBQOSA-N 2 2 348.535 3.054 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120084686 1371481588 /nfs/dbraw/zinc/48/15/88/1371481588.db2.gz ICPAEGCGILZENG-PLNGDYQASA-N 2 2 346.519 3.118 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429732 1371573015 /nfs/dbraw/zinc/57/30/15/1371573015.db2.gz ARZZRFYEBKFSGA-HECAZONMSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429732 1371573019 /nfs/dbraw/zinc/57/30/19/1371573019.db2.gz ARZZRFYEBKFSGA-HECAZONMSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429734 1371573215 /nfs/dbraw/zinc/57/32/15/1371573215.db2.gz ARZZRFYEBKFSGA-VKCQWTKXSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429734 1371573221 /nfs/dbraw/zinc/57/32/21/1371573221.db2.gz ARZZRFYEBKFSGA-VKCQWTKXSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439169 1371576873 /nfs/dbraw/zinc/57/68/73/1371576873.db2.gz FCJYSZIKOYLJCZ-GVKUHWBJSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120439169 1371576876 /nfs/dbraw/zinc/57/68/76/1371576876.db2.gz FCJYSZIKOYLJCZ-GVKUHWBJSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001120467369 1371586336 /nfs/dbraw/zinc/58/63/36/1371586336.db2.gz KQXRVPMBQPMWKY-JRGCBEDISA-N 2 2 349.478 3.458 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159321 1371613624 /nfs/dbraw/zinc/61/36/24/1371613624.db2.gz FDFDAMCIOWMLGV-ZIBCJSCZSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159321 1371613627 /nfs/dbraw/zinc/61/36/27/1371613627.db2.gz FDFDAMCIOWMLGV-ZIBCJSCZSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159321 1371613630 /nfs/dbraw/zinc/61/36/30/1371613630.db2.gz FDFDAMCIOWMLGV-ZIBCJSCZSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159321 1371613633 /nfs/dbraw/zinc/61/36/33/1371613633.db2.gz FDFDAMCIOWMLGV-ZIBCJSCZSA-N 2 2 325.500 3.438 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168334 1371615638 /nfs/dbraw/zinc/61/56/38/1371615638.db2.gz HJHRRBBPQSAWGG-ROUUACIJSA-N 2 2 328.504 3.287 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168334 1371615646 /nfs/dbraw/zinc/61/56/46/1371615646.db2.gz HJHRRBBPQSAWGG-ROUUACIJSA-N 2 2 328.504 3.287 20 0 EGADLP CC(C)CC[C@H](O)C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC001120581162 1371623246 /nfs/dbraw/zinc/62/32/46/1371623246.db2.gz HJKUQUNWLQYELL-QUCCMNQESA-N 2 2 348.531 3.273 20 0 EGADLP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001208218436 1371659917 /nfs/dbraw/zinc/65/99/17/1371659917.db2.gz UZZNQQRGQLKNJW-INIZCTEOSA-N 2 2 342.483 3.012 20 0 EGADLP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001208218436 1371659941 /nfs/dbraw/zinc/65/99/41/1371659941.db2.gz UZZNQQRGQLKNJW-INIZCTEOSA-N 2 2 342.483 3.012 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386780 1371746988 /nfs/dbraw/zinc/74/69/88/1371746988.db2.gz HMOBXMRVMQJAOU-RBUKOAKNSA-N 2 2 348.535 3.487 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551828 1371813675 /nfs/dbraw/zinc/81/36/75/1371813675.db2.gz PAZOJMMRDROGTE-VGOKWCNXSA-N 2 2 340.471 3.275 20 0 EGADLP Cc1cc2ccccc2nc1N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208618357 1371843134 /nfs/dbraw/zinc/84/31/34/1371843134.db2.gz XNXISXJWLDGTCL-GOSISDBHSA-N 2 2 338.499 3.007 20 0 EGADLP Cc1cc2ccccc2nc1N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208618357 1371843137 /nfs/dbraw/zinc/84/31/37/1371843137.db2.gz XNXISXJWLDGTCL-GOSISDBHSA-N 2 2 338.499 3.007 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H](C)OCc2ccccc2)C1 ZINC001208705623 1371869989 /nfs/dbraw/zinc/86/99/89/1371869989.db2.gz ZJAUMXOINHLBGP-PKOBYXMFSA-N 2 2 326.440 3.448 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H](C)OCc2ccccc2)C1 ZINC001208705623 1371869996 /nfs/dbraw/zinc/86/99/96/1371869996.db2.gz ZJAUMXOINHLBGP-PKOBYXMFSA-N 2 2 326.440 3.448 20 0 EGADLP Fc1ccc(CCC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208769114 1371890756 /nfs/dbraw/zinc/89/07/56/1371890756.db2.gz ZTDANGDDJYXNAP-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP Fc1ccc(CCC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)cc1 ZINC001208769114 1371890759 /nfs/dbraw/zinc/89/07/59/1371890759.db2.gz ZTDANGDDJYXNAP-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824419 1371906482 /nfs/dbraw/zinc/90/64/82/1371906482.db2.gz HVTVNQKWLOIKAM-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824419 1371906486 /nfs/dbraw/zinc/90/64/86/1371906486.db2.gz HVTVNQKWLOIKAM-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824419 1371906487 /nfs/dbraw/zinc/90/64/87/1371906487.db2.gz HVTVNQKWLOIKAM-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824419 1371906489 /nfs/dbraw/zinc/90/64/89/1371906489.db2.gz HVTVNQKWLOIKAM-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP CCC(=O)C(C)(C)C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001208914948 1371941417 /nfs/dbraw/zinc/94/14/17/1371941417.db2.gz BYWUTEUPRAFQDE-RTBURBONSA-N 2 2 328.500 3.364 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945060 1371958168 /nfs/dbraw/zinc/95/81/68/1371958168.db2.gz YKNHDWBSDHGUOA-COPCDDAFSA-N 2 2 346.474 3.420 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945060 1371958176 /nfs/dbraw/zinc/95/81/76/1371958176.db2.gz YKNHDWBSDHGUOA-COPCDDAFSA-N 2 2 346.474 3.420 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945060 1371958178 /nfs/dbraw/zinc/95/81/78/1371958178.db2.gz YKNHDWBSDHGUOA-COPCDDAFSA-N 2 2 346.474 3.420 20 0 EGADLP O=C1c2ccccc2[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208945060 1371958181 /nfs/dbraw/zinc/95/81/81/1371958181.db2.gz YKNHDWBSDHGUOA-COPCDDAFSA-N 2 2 346.474 3.420 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985304 1371968359 /nfs/dbraw/zinc/96/83/59/1371968359.db2.gz PPMDAZXOPNFZOL-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985304 1371968366 /nfs/dbraw/zinc/96/83/66/1371968366.db2.gz PPMDAZXOPNFZOL-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001208997746 1371970909 /nfs/dbraw/zinc/97/09/09/1371970909.db2.gz BBVPLWNAXGDDCB-QAQDUYKDSA-N 2 2 346.471 3.294 20 0 EGADLP COCOCCC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001209025130 1371977289 /nfs/dbraw/zinc/97/72/89/1371977289.db2.gz BYDJYZBLYUBDLQ-UHFFFAOYSA-N 2 2 341.411 3.004 20 0 EGADLP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849077 1372101206 /nfs/dbraw/zinc/10/12/06/1372101206.db2.gz VJXBVFFEBKIDBK-FUSSNKQKSA-N 2 2 346.519 3.287 20 0 EGADLP CC[C@@H](C[NH+]1CCC([NH+](CC)CC)CC1)NC(=O)OC(C)(C)C ZINC001209458882 1372111297 /nfs/dbraw/zinc/11/12/97/1372111297.db2.gz QCVHKEJKBPBZBH-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c[nH]c21 ZINC001209483158 1372117779 /nfs/dbraw/zinc/11/77/79/1372117779.db2.gz HXAUKBMGVRJRFM-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP Nc1cc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc[nH+]1 ZINC001326515465 1388226689 /nfs/dbraw/zinc/22/66/89/1388226689.db2.gz ZMKKTFUCPWHZAB-CYBMUJFWSA-N 2 2 335.814 3.100 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001130006505 1373445336 /nfs/dbraw/zinc/44/53/36/1373445336.db2.gz JQIDNWSNHDDLSS-MAUKXSAKSA-N 2 2 346.450 3.076 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001130006290 1373445455 /nfs/dbraw/zinc/44/54/55/1373445455.db2.gz AZBCGFBAYGADMT-IEBWSBKVSA-N 2 2 342.487 3.246 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3cccc4c3CC[NH2+]C4)n2)c[nH+]1 ZINC001217565682 1373464993 /nfs/dbraw/zinc/46/49/93/1373464993.db2.gz RSZYNPZXQRBHBS-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP Clc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272714 1373822717 /nfs/dbraw/zinc/82/27/17/1373822717.db2.gz ZSVAQWLZZCBANU-LJQANCHMSA-N 2 2 344.890 3.491 20 0 EGADLP Clc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272714 1373822723 /nfs/dbraw/zinc/82/27/23/1373822723.db2.gz ZSVAQWLZZCBANU-LJQANCHMSA-N 2 2 344.890 3.491 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001326687362 1388283530 /nfs/dbraw/zinc/28/35/30/1388283530.db2.gz GKZHJJBEMWKYAN-IBGZPJMESA-N 2 2 343.475 3.005 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222395878 1373835143 /nfs/dbraw/zinc/83/51/43/1373835143.db2.gz NKQOKRSKWZETNI-HXUWFJFHSA-N 2 2 341.455 3.063 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)ccc2[nH]1 ZINC001222395878 1373835151 /nfs/dbraw/zinc/83/51/51/1373835151.db2.gz NKQOKRSKWZETNI-HXUWFJFHSA-N 2 2 341.455 3.063 20 0 EGADLP C[NH+]1CCC(c2ccc(C(=O)Nc3cccc4[nH+]ccn43)cc2)CC1 ZINC001188300840 1388286681 /nfs/dbraw/zinc/28/66/81/1388286681.db2.gz LOGJLJPFCXXVNV-UHFFFAOYSA-N 2 2 334.423 3.396 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091243 1375141541 /nfs/dbraw/zinc/14/15/41/1375141541.db2.gz VCIILBNIEXETDL-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132091243 1375141545 /nfs/dbraw/zinc/14/15/45/1375141545.db2.gz VCIILBNIEXETDL-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091243 1375141549 /nfs/dbraw/zinc/14/15/49/1375141549.db2.gz VCIILBNIEXETDL-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132091243 1375141551 /nfs/dbraw/zinc/14/15/51/1375141551.db2.gz VCIILBNIEXETDL-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CC1CCCCCC1 ZINC001132221323 1375218000 /nfs/dbraw/zinc/21/80/00/1375218000.db2.gz FZJUYEBZKCSCJR-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CC1CCCCCC1 ZINC001132221323 1375218003 /nfs/dbraw/zinc/21/80/03/1375218003.db2.gz FZJUYEBZKCSCJR-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC1CCCC1 ZINC001132221728 1375219235 /nfs/dbraw/zinc/21/92/35/1375219235.db2.gz NGQCKNDGJVUGHO-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC1CCCC1 ZINC001132221728 1375219236 /nfs/dbraw/zinc/21/92/36/1375219236.db2.gz NGQCKNDGJVUGHO-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226972593 1375374861 /nfs/dbraw/zinc/37/48/61/1375374861.db2.gz FSYGQKZEKAZONW-KZNAEPCWSA-N 2 2 334.508 3.143 20 0 EGADLP CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227630213 1375456581 /nfs/dbraw/zinc/45/65/81/1375456581.db2.gz CTIDIDDZBHMRCA-GVDBMIGSSA-N 2 2 335.467 3.386 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001227636670 1375457449 /nfs/dbraw/zinc/45/74/49/1375457449.db2.gz FHEGFJFMMXBOSR-KZNAEPCWSA-N 2 2 347.503 3.062 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1C ZINC001132999055 1375703941 /nfs/dbraw/zinc/70/39/41/1375703941.db2.gz WIHIRIQGGNPEQJ-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133245715 1375866771 /nfs/dbraw/zinc/86/67/71/1375866771.db2.gz JSIPITOWBWMDBT-IAGOWNOFSA-N 2 2 348.535 3.198 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC001232182701 1376414731 /nfs/dbraw/zinc/41/47/31/1376414731.db2.gz FQLSNHFELMHKHS-UHFFFAOYSA-N 2 2 329.488 3.404 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)c1 ZINC001134544924 1376585299 /nfs/dbraw/zinc/58/52/99/1376585299.db2.gz KDAFPMJYDQQQMY-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)c1 ZINC001134544924 1376585304 /nfs/dbraw/zinc/58/53/04/1376585304.db2.gz KDAFPMJYDQQQMY-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccsc1 ZINC001134739736 1376689016 /nfs/dbraw/zinc/68/90/16/1376689016.db2.gz JHADPJLRETYTNB-OLZOCXBDSA-N 2 2 342.468 3.311 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001134743868 1376692736 /nfs/dbraw/zinc/69/27/36/1376692736.db2.gz FAVQVITUZXZJAP-HZPDHXFCSA-N 2 2 345.487 3.006 20 0 EGADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)s2)c1 ZINC001235113991 1376847009 /nfs/dbraw/zinc/84/70/09/1376847009.db2.gz IFNNRSCWXHMMRX-QGZVFWFLSA-N 2 2 334.510 3.431 20 0 EGADLP c1csc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)s2)c1 ZINC001235113991 1376847012 /nfs/dbraw/zinc/84/70/12/1376847012.db2.gz IFNNRSCWXHMMRX-QGZVFWFLSA-N 2 2 334.510 3.431 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCC(C)C)c(C)[nH+]1 ZINC001135044504 1376864887 /nfs/dbraw/zinc/86/48/87/1376864887.db2.gz VJFLUSXGTPYLED-DOTOQJQBSA-N 2 2 349.519 3.166 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2cncs2)c(C)[nH+]1 ZINC001135044112 1376865415 /nfs/dbraw/zinc/86/54/15/1376865415.db2.gz OSIFOLDMFUCDJF-GXTWGEPZSA-N 2 2 346.500 3.150 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CCC1CCCCC1 ZINC001135057641 1376872615 /nfs/dbraw/zinc/87/26/15/1376872615.db2.gz YQELWDOTXJSSNU-SJORKVTESA-N 2 2 348.535 3.196 20 0 EGADLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894553 1376912442 /nfs/dbraw/zinc/91/24/42/1376912442.db2.gz XSVGRBLVXADLKO-XHDPSFHLSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894553 1376912464 /nfs/dbraw/zinc/91/24/64/1376912464.db2.gz XSVGRBLVXADLKO-XHDPSFHLSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H](Cc1ccccn1)[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246939472 1377055806 /nfs/dbraw/zinc/05/58/06/1377055806.db2.gz VQTKDVLLSRYEOL-JXFKEZNVSA-N 2 2 327.447 3.406 20 0 EGADLP C[C@@H](Cc1ccccn1)[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246939472 1377055811 /nfs/dbraw/zinc/05/58/11/1377055811.db2.gz VQTKDVLLSRYEOL-JXFKEZNVSA-N 2 2 327.447 3.406 20 0 EGADLP C[C@H](Cc1ccccn1)[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246939481 1377056114 /nfs/dbraw/zinc/05/61/14/1377056114.db2.gz VQTKDVLLSRYEOL-UZLBHIALSA-N 2 2 327.447 3.406 20 0 EGADLP C[C@H](Cc1ccccn1)[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001246939481 1377056124 /nfs/dbraw/zinc/05/61/24/1377056124.db2.gz VQTKDVLLSRYEOL-UZLBHIALSA-N 2 2 327.447 3.406 20 0 EGADLP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840950 1377228980 /nfs/dbraw/zinc/22/89/80/1377228980.db2.gz RWIWYISTXFCGAL-HZPDHXFCSA-N 2 2 328.460 3.159 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001136031286 1377305626 /nfs/dbraw/zinc/30/56/26/1377305626.db2.gz IJEZZJASWPJVOM-CABCVRRESA-N 2 2 334.508 3.104 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136051377 1377313364 /nfs/dbraw/zinc/31/33/64/1377313364.db2.gz ABJNLXNMFJLKGP-IRXDYDNUSA-N 2 2 348.535 3.196 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC001137189747 1377493572 /nfs/dbraw/zinc/49/35/72/1377493572.db2.gz FWTNWPITNSCVET-KRWDZBQOSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC001137189747 1377493575 /nfs/dbraw/zinc/49/35/75/1377493575.db2.gz FWTNWPITNSCVET-KRWDZBQOSA-N 2 2 335.407 3.297 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001137187337 1377494095 /nfs/dbraw/zinc/49/40/95/1377494095.db2.gz QINBPGWWDRZOMJ-UHFFFAOYSA-N 2 2 343.446 3.339 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535352 1377562409 /nfs/dbraw/zinc/56/24/09/1377562409.db2.gz JEVSSFAXINLCKJ-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535352 1377562413 /nfs/dbraw/zinc/56/24/13/1377562413.db2.gz JEVSSFAXINLCKJ-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535352 1377562418 /nfs/dbraw/zinc/56/24/18/1377562418.db2.gz JEVSSFAXINLCKJ-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535352 1377562420 /nfs/dbraw/zinc/56/24/20/1377562420.db2.gz JEVSSFAXINLCKJ-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP c1nc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cs1 ZINC001137594501 1377568896 /nfs/dbraw/zinc/56/88/96/1377568896.db2.gz FMJXBGOEBUWAKA-UHFFFAOYSA-N 2 2 343.496 3.010 20 0 EGADLP c1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cs1 ZINC001137594501 1377568898 /nfs/dbraw/zinc/56/88/98/1377568898.db2.gz FMJXBGOEBUWAKA-UHFFFAOYSA-N 2 2 343.496 3.010 20 0 EGADLP COCC[N@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001137712412 1377602630 /nfs/dbraw/zinc/60/26/30/1377602630.db2.gz BFPCTYLRIWOZGJ-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COCC[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CC[NH+](C)CC1 ZINC001137712412 1377602641 /nfs/dbraw/zinc/60/26/41/1377602641.db2.gz BFPCTYLRIWOZGJ-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@H]3C2)c1 ZINC001138107219 1377678212 /nfs/dbraw/zinc/67/82/12/1377678212.db2.gz MUEOZDGGNLZJTL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@H]3C2)c1 ZINC001138107219 1377678213 /nfs/dbraw/zinc/67/82/13/1377678213.db2.gz MUEOZDGGNLZJTL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5ncccc5c4)C[C@H]3C2)c1 ZINC001138107219 1377678214 /nfs/dbraw/zinc/67/82/14/1377678214.db2.gz MUEOZDGGNLZJTL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5ncccc5c4)C[C@H]3C2)c1 ZINC001138107219 1377678215 /nfs/dbraw/zinc/67/82/15/1377678215.db2.gz MUEOZDGGNLZJTL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC001138159289 1377686337 /nfs/dbraw/zinc/68/63/37/1377686337.db2.gz VTUNWNUTCIMCBO-HNNXBMFYSA-N 2 2 340.452 3.495 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC001138159289 1377686338 /nfs/dbraw/zinc/68/63/38/1377686338.db2.gz VTUNWNUTCIMCBO-HNNXBMFYSA-N 2 2 340.452 3.495 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3cccc4nccnc34)CC2)CC1 ZINC001138306367 1377699478 /nfs/dbraw/zinc/69/94/78/1377699478.db2.gz PRRWEFUWRBYOPJ-UHFFFAOYSA-N 2 2 328.435 3.028 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001138403109 1377718878 /nfs/dbraw/zinc/71/88/78/1377718878.db2.gz IMMYQKOYHYRMOV-UHFFFAOYSA-N 2 2 335.455 3.205 20 0 EGADLP CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547916 1377740121 /nfs/dbraw/zinc/74/01/21/1377740121.db2.gz WMKBDNVLDWTBII-GOSISDBHSA-N 2 2 327.428 3.098 20 0 EGADLP CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547916 1377740122 /nfs/dbraw/zinc/74/01/22/1377740122.db2.gz WMKBDNVLDWTBII-GOSISDBHSA-N 2 2 327.428 3.098 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568544 1377744103 /nfs/dbraw/zinc/74/41/03/1377744103.db2.gz XCOZSXBLZUJUPJ-HXUWFJFHSA-N 2 2 348.450 3.288 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568544 1377744105 /nfs/dbraw/zinc/74/41/05/1377744105.db2.gz XCOZSXBLZUJUPJ-HXUWFJFHSA-N 2 2 348.450 3.288 20 0 EGADLP CNc1ncccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695266 1377769795 /nfs/dbraw/zinc/76/97/95/1377769795.db2.gz ZXBQMMCLSCTGRR-QUCCMNQESA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695266 1377769798 /nfs/dbraw/zinc/76/97/98/1377769798.db2.gz ZXBQMMCLSCTGRR-QUCCMNQESA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695266 1377769802 /nfs/dbraw/zinc/76/98/02/1377769802.db2.gz ZXBQMMCLSCTGRR-QUCCMNQESA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138695266 1377769806 /nfs/dbraw/zinc/76/98/06/1377769806.db2.gz ZXBQMMCLSCTGRR-QUCCMNQESA-N 2 2 336.483 3.077 20 0 EGADLP CCCCc1ccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)s1 ZINC001138756942 1377780717 /nfs/dbraw/zinc/78/07/17/1377780717.db2.gz NVRSYQZMGZNRNF-UHFFFAOYSA-N 2 2 340.533 3.408 20 0 EGADLP CCCCc1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)s1 ZINC001138756942 1377780718 /nfs/dbraw/zinc/78/07/18/1377780718.db2.gz NVRSYQZMGZNRNF-UHFFFAOYSA-N 2 2 340.533 3.408 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138767663 1377781920 /nfs/dbraw/zinc/78/19/20/1377781920.db2.gz MVOAQBYYXYAMCG-HXUWFJFHSA-N 2 2 348.450 3.288 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138767663 1377781921 /nfs/dbraw/zinc/78/19/21/1377781921.db2.gz MVOAQBYYXYAMCG-HXUWFJFHSA-N 2 2 348.450 3.288 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5ccnn54)C[C@@H]3C2)cc1 ZINC001138805198 1377787603 /nfs/dbraw/zinc/78/76/03/1377787603.db2.gz IDYFXRBGLHIFMO-PMACEKPBSA-N 2 2 346.478 3.207 20 0 EGADLP CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356151 1377872700 /nfs/dbraw/zinc/87/27/00/1377872700.db2.gz FSPZKEQFYURDJP-QGZVFWFLSA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356151 1377872701 /nfs/dbraw/zinc/87/27/01/1377872701.db2.gz FSPZKEQFYURDJP-QGZVFWFLSA-N 2 2 327.428 3.038 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnc5cccnc5c4)C[C@@H]3C2)cc1 ZINC001139742161 1377944627 /nfs/dbraw/zinc/94/46/27/1377944627.db2.gz TUUIAMBZBWSMPX-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP C[C@H]1CC[C@H]([N@H+](C)Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139765824 1377948213 /nfs/dbraw/zinc/94/82/13/1377948213.db2.gz HNWFAABGGPLLGB-KESTWPANSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139765824 1377948214 /nfs/dbraw/zinc/94/82/14/1377948214.db2.gz HNWFAABGGPLLGB-KESTWPANSA-N 2 2 346.515 3.408 20 0 EGADLP CCc1ncnc2c1CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)CC2 ZINC001140024222 1377991773 /nfs/dbraw/zinc/99/17/73/1377991773.db2.gz CLMVFFPDKZSYPY-UHFFFAOYSA-N 2 2 347.466 3.134 20 0 EGADLP CCc1ncnc2c1CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)CC2 ZINC001140024222 1377991774 /nfs/dbraw/zinc/99/17/74/1377991774.db2.gz CLMVFFPDKZSYPY-UHFFFAOYSA-N 2 2 347.466 3.134 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001275633173 1378149079 /nfs/dbraw/zinc/14/90/79/1378149079.db2.gz WPQQTLQCLKNBQT-FAEJEUNOSA-N 2 2 348.535 3.302 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140879255 1378167490 /nfs/dbraw/zinc/16/74/90/1378167490.db2.gz URNIFBNNBUIAEV-NEPJUHHUSA-N 2 2 334.332 3.367 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140879255 1378167494 /nfs/dbraw/zinc/16/74/94/1378167494.db2.gz URNIFBNNBUIAEV-NEPJUHHUSA-N 2 2 334.332 3.367 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)c(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140879255 1378167498 /nfs/dbraw/zinc/16/74/98/1378167498.db2.gz URNIFBNNBUIAEV-NEPJUHHUSA-N 2 2 334.332 3.367 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(C(F)(F)F)c(F)c3)C[C@@H]2C1 ZINC001140879255 1378167502 /nfs/dbraw/zinc/16/75/02/1378167502.db2.gz URNIFBNNBUIAEV-NEPJUHHUSA-N 2 2 334.332 3.367 20 0 EGADLP CCCCc1[nH]c(CN2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c[nH+]1 ZINC001141068239 1378227299 /nfs/dbraw/zinc/22/72/99/1378227299.db2.gz BLKFOIMKZFCKNC-HXUWFJFHSA-N 2 2 348.535 3.075 20 0 EGADLP CCCCc1[nH]c(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c[nH+]1 ZINC001141068239 1378227303 /nfs/dbraw/zinc/22/73/03/1378227303.db2.gz BLKFOIMKZFCKNC-HXUWFJFHSA-N 2 2 348.535 3.075 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc(C)c1F ZINC001143374202 1378588719 /nfs/dbraw/zinc/58/87/19/1378588719.db2.gz OPRSTJWPBXAPMP-PMACEKPBSA-N 2 2 339.458 3.401 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)cc1Cl ZINC001143715269 1378638675 /nfs/dbraw/zinc/63/86/75/1378638675.db2.gz DRUNZCILOFHUOP-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)cc1Cl ZINC001143715269 1378638677 /nfs/dbraw/zinc/63/86/77/1378638677.db2.gz DRUNZCILOFHUOP-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001143838576 1378651746 /nfs/dbraw/zinc/65/17/46/1378651746.db2.gz NRXHCAHIMARAJN-CQSZACIVSA-N 2 2 336.439 3.422 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146707734 1378903662 /nfs/dbraw/zinc/90/36/62/1378903662.db2.gz ZHRSGAWRVCOFQC-DLBZAZTESA-N 2 2 332.492 3.037 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC001146713295 1378906225 /nfs/dbraw/zinc/90/62/25/1378906225.db2.gz JCKDMOYBXKSFGX-IRXDYDNUSA-N 2 2 336.524 3.363 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478350 1380083610 /nfs/dbraw/zinc/08/36/10/1380083610.db2.gz VGNXZCZZFADITO-MRXNPFEDSA-N 2 2 348.535 3.025 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478350 1380083611 /nfs/dbraw/zinc/08/36/11/1380083611.db2.gz VGNXZCZZFADITO-MRXNPFEDSA-N 2 2 348.535 3.025 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015444 1380179831 /nfs/dbraw/zinc/17/98/31/1380179831.db2.gz INLVFJZOJUDBQF-LQYUOIDQSA-N 2 2 328.460 3.359 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015444 1380179835 /nfs/dbraw/zinc/17/98/35/1380179835.db2.gz INLVFJZOJUDBQF-LQYUOIDQSA-N 2 2 328.460 3.359 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066638 1380197125 /nfs/dbraw/zinc/19/71/25/1380197125.db2.gz SXNFSPKCZLHZBU-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066638 1380197127 /nfs/dbraw/zinc/19/71/27/1380197127.db2.gz SXNFSPKCZLHZBU-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403949 1380270860 /nfs/dbraw/zinc/27/08/60/1380270860.db2.gz PQYXHUHDJKBSSH-CRPOECCBSA-N 2 2 331.504 3.493 20 0 EGADLP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403949 1380270862 /nfs/dbraw/zinc/27/08/62/1380270862.db2.gz PQYXHUHDJKBSSH-CRPOECCBSA-N 2 2 331.504 3.493 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@H]3C)c2c1 ZINC001155025672 1380393826 /nfs/dbraw/zinc/39/38/26/1380393826.db2.gz PENYBUHMJNBSDF-CZUORRHYSA-N 2 2 327.428 3.069 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155193843 1380422424 /nfs/dbraw/zinc/42/24/24/1380422424.db2.gz RRMWXLJLXSATQG-NVXWUHKLSA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155193843 1380422425 /nfs/dbraw/zinc/42/24/25/1380422425.db2.gz RRMWXLJLXSATQG-NVXWUHKLSA-N 2 2 346.519 3.237 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NCc3ccc4c(c3)CC[NH2+]C4)c2c1 ZINC001155267365 1380431043 /nfs/dbraw/zinc/43/10/43/1380431043.db2.gz AMHUAWBRPFYYNL-UHFFFAOYSA-N 2 2 347.418 3.279 20 0 EGADLP Cc1nc(NCC[C@H]2CCOC23C[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001155479354 1380458559 /nfs/dbraw/zinc/45/85/59/1380458559.db2.gz WBUGAVWBAMOIOW-INIZCTEOSA-N 2 2 330.476 3.013 20 0 EGADLP CC[N@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522241 1380464121 /nfs/dbraw/zinc/46/41/21/1380464121.db2.gz RWNLIJFOUUOYLV-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP CC[N@@H+](Cc1ccccc1C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522241 1380464123 /nfs/dbraw/zinc/46/41/23/1380464123.db2.gz RWNLIJFOUUOYLV-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1nc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001155598464 1380471696 /nfs/dbraw/zinc/47/16/96/1380471696.db2.gz OIFNIKSBCCPMGB-UZLBHIALSA-N 2 2 344.503 3.403 20 0 EGADLP Cc1ccc2c(c1)nc(Cl)nc2NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156181956 1380537573 /nfs/dbraw/zinc/53/75/73/1380537573.db2.gz LBWRVYKZDBKATJ-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP COCc1cc[nH+]c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001157066824 1380766623 /nfs/dbraw/zinc/76/66/23/1380766623.db2.gz NLZJITMCNACDDR-UHFFFAOYSA-N 2 2 343.446 3.468 20 0 EGADLP COCc1cc[nH+]c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c1 ZINC001157066824 1380766627 /nfs/dbraw/zinc/76/66/27/1380766627.db2.gz NLZJITMCNACDDR-UHFFFAOYSA-N 2 2 343.446 3.468 20 0 EGADLP CC[N@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248573 1380823946 /nfs/dbraw/zinc/82/39/46/1380823946.db2.gz QPVDDUVJHQXGSL-QZTJIDSGSA-N 2 2 336.524 3.172 20 0 EGADLP CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248573 1380823953 /nfs/dbraw/zinc/82/39/53/1380823953.db2.gz QPVDDUVJHQXGSL-QZTJIDSGSA-N 2 2 336.524 3.172 20 0 EGADLP CCOC(=O)c1c[nH]c2cc(N[C@H]3CCCC[C@@H]3[NH+](C)C)[nH+]cc21 ZINC001157803074 1381037738 /nfs/dbraw/zinc/03/77/38/1381037738.db2.gz LCTSIPHALJEIRA-HOCLYGCPSA-N 2 2 330.432 3.024 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCC(C)(C)C[NH+](C)C)c1)C1CC1 ZINC001157945097 1381077688 /nfs/dbraw/zinc/07/76/88/1381077688.db2.gz VUMBGPZGHCUUDB-INIZCTEOSA-N 2 2 333.476 3.138 20 0 EGADLP CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158129124 1381136516 /nfs/dbraw/zinc/13/65/16/1381136516.db2.gz UZVBMBLWVOUKFR-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158129124 1381136522 /nfs/dbraw/zinc/13/65/22/1381136522.db2.gz UZVBMBLWVOUKFR-MRXNPFEDSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217242 1381161861 /nfs/dbraw/zinc/16/18/61/1381161861.db2.gz IZUMKSSOHYPECQ-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217242 1381161869 /nfs/dbraw/zinc/16/18/69/1381161869.db2.gz IZUMKSSOHYPECQ-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001158271935 1381181510 /nfs/dbraw/zinc/18/15/10/1381181510.db2.gz NVMCPSZSOYPMQB-KXBFYZLASA-N 2 2 333.476 3.143 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468545 1381255969 /nfs/dbraw/zinc/25/59/69/1381255969.db2.gz VLSKBCBJWHCWFS-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001158468545 1381255973 /nfs/dbraw/zinc/25/59/73/1381255973.db2.gz VLSKBCBJWHCWFS-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794121 1381401650 /nfs/dbraw/zinc/40/16/50/1381401650.db2.gz JDQJREZCPITKNW-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794121 1381401653 /nfs/dbraw/zinc/40/16/53/1381401653.db2.gz JDQJREZCPITKNW-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP c1ccc(-c2cccnc2)c(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC001159107748 1381593608 /nfs/dbraw/zinc/59/36/08/1381593608.db2.gz PVJXWYOGHSHQCK-UHFFFAOYSA-N 2 2 345.450 3.165 20 0 EGADLP Cc1nc(OC(C)C)ccc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261811 1381746667 /nfs/dbraw/zinc/74/66/67/1381746667.db2.gz PFYPCADEXMEZRO-UHFFFAOYSA-N 2 2 341.459 3.243 20 0 EGADLP CCOc1ncc(Cl)cc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159321761 1381761326 /nfs/dbraw/zinc/76/13/26/1381761326.db2.gz RBUGFCXIZRSPHJ-UHFFFAOYSA-N 2 2 347.850 3.200 20 0 EGADLP CCOc1cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c(Cl)cn1 ZINC001159324157 1381761982 /nfs/dbraw/zinc/76/19/82/1381761982.db2.gz WBIOVBRNLXMFFX-UHFFFAOYSA-N 2 2 347.850 3.200 20 0 EGADLP Cc1cc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cnc1OC(C)C ZINC001159323929 1381761995 /nfs/dbraw/zinc/76/19/95/1381761995.db2.gz SHJBIAWFTKDSKF-UHFFFAOYSA-N 2 2 341.459 3.243 20 0 EGADLP c1c[nH+]c(Nc2cccc(N3CC[NH2+]CC3)c2)c(N2CCCCC2)c1 ZINC001159364302 1381778393 /nfs/dbraw/zinc/77/83/93/1381778393.db2.gz NDDUFQKJIMAGLM-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP c1c[nH+]c(N2CCOCC2)c(Nc2cccc(C3CC[NH2+]CC3)c2)c1 ZINC001159757612 1381890848 /nfs/dbraw/zinc/89/08/48/1381890848.db2.gz QUJMFOZRBHNIIG-UHFFFAOYSA-N 2 2 338.455 3.129 20 0 EGADLP CCN(CC)c1cc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)nc[nH+]1 ZINC001159950526 1381946880 /nfs/dbraw/zinc/94/68/80/1381946880.db2.gz XOLOMKRVJDFPPV-CQSZACIVSA-N 2 2 335.455 3.083 20 0 EGADLP Fc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160163998 1382022584 /nfs/dbraw/zinc/02/25/84/1382022584.db2.gz PLJBSHQHDWMUHU-OAHLLOKOSA-N 2 2 342.418 3.305 20 0 EGADLP Cc1cc(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)nc(C2CC2)[nH+]1 ZINC001161125064 1382308864 /nfs/dbraw/zinc/30/88/64/1382308864.db2.gz PDIAYIMLEJWCKS-UHFFFAOYSA-N 2 2 330.476 3.154 20 0 EGADLP Cc1cccc2c(C)cc(N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)[nH+]c12 ZINC001161274518 1382358506 /nfs/dbraw/zinc/35/85/06/1382358506.db2.gz DNMIACMVXYBNNR-WKILWMFISA-N 2 2 325.456 3.327 20 0 EGADLP C[C@H](CC(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001161356559 1382382310 /nfs/dbraw/zinc/38/23/10/1382382310.db2.gz UYRORPHSANZIIF-TVRKMHQQSA-N 2 2 344.503 3.019 20 0 EGADLP C[C@H](CC(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001161356559 1382382312 /nfs/dbraw/zinc/38/23/12/1382382312.db2.gz UYRORPHSANZIIF-TVRKMHQQSA-N 2 2 344.503 3.019 20 0 EGADLP CC(C)N(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)[C@@H](C)c1ccccc1 ZINC001161442476 1382412414 /nfs/dbraw/zinc/41/24/14/1382412414.db2.gz BGXCFANDASOHMU-HNAYVOBHSA-N 2 2 325.456 3.257 20 0 EGADLP CCc1cccc(C[NH2+]CCCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001162910052 1382912861 /nfs/dbraw/zinc/91/28/61/1382912861.db2.gz IMENEYKRIWUEQR-UHFFFAOYSA-N 2 2 339.483 3.479 20 0 EGADLP COc1cc2ccc(NC3CC4(C3)CCC[NH2+]C4)[nH+]c2cc1OC ZINC001162981568 1382936494 /nfs/dbraw/zinc/93/64/94/1382936494.db2.gz BUCXTVXOQQEFGB-UHFFFAOYSA-N 2 2 327.428 3.196 20 0 EGADLP Cc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc(OC(F)F)[nH+]1 ZINC001163062650 1382959100 /nfs/dbraw/zinc/95/91/00/1382959100.db2.gz AUJFGXKTYLEWRY-CYBMUJFWSA-N 2 2 336.386 3.015 20 0 EGADLP CCOC(CCC[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1)OCC ZINC001163490233 1383063508 /nfs/dbraw/zinc/06/35/08/1383063508.db2.gz DRYNLTFCNRZQRK-UHFFFAOYSA-N 2 2 335.492 3.030 20 0 EGADLP Cc1c(C)n(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c2ccc(C[NH3+])cc12 ZINC001163761664 1383119171 /nfs/dbraw/zinc/11/91/71/1383119171.db2.gz JNAOXGOBEKDARX-LJQANCHMSA-N 3 2 348.494 3.239 20 0 EGADLP Cc1c(C)n(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c2ccc(C[NH3+])cc12 ZINC001163761664 1383119173 /nfs/dbraw/zinc/11/91/73/1383119173.db2.gz JNAOXGOBEKDARX-LJQANCHMSA-N 3 2 348.494 3.239 20 0 EGADLP C[N@@H+]1CCc2ncnc(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)c2C1 ZINC001163844028 1383128597 /nfs/dbraw/zinc/12/85/97/1383128597.db2.gz FALYWNIOAROABU-UHFFFAOYSA-N 2 2 325.460 3.070 20 0 EGADLP C[N@H+]1CCc2ncnc(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)c2C1 ZINC001163844028 1383128599 /nfs/dbraw/zinc/12/85/99/1383128599.db2.gz FALYWNIOAROABU-UHFFFAOYSA-N 2 2 325.460 3.070 20 0 EGADLP CC(C)N(CCC[NH3+])c1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001164122249 1383158382 /nfs/dbraw/zinc/15/83/82/1383158382.db2.gz ASUZXBCLMJTSDC-UHFFFAOYSA-N 2 2 327.432 3.289 20 0 EGADLP Cc1ccc2c(C)cc(NCC3([NH+](C)C)CC[NH+](C)CC3)nc2c1 ZINC001164211643 1383166389 /nfs/dbraw/zinc/16/63/89/1383166389.db2.gz RVNJABRKAPLRSE-UHFFFAOYSA-N 2 2 326.488 3.290 20 0 EGADLP C[N@@H+]1CCC[C@H](CCNc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001165279575 1383264775 /nfs/dbraw/zinc/26/47/75/1383264775.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 2 337.265 3.469 20 0 EGADLP C[N@H+]1CCC[C@H](CCNc2[nH]c3ccc(Br)cc3[nH+]2)C1 ZINC001165279575 1383264777 /nfs/dbraw/zinc/26/47/77/1383264777.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 2 337.265 3.469 20 0 EGADLP C[N@@H+]1CCC[C@H](CCNc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001165279575 1383264779 /nfs/dbraw/zinc/26/47/79/1383264779.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 2 337.265 3.469 20 0 EGADLP C[N@H+]1CCC[C@H](CCNc2[nH]c3cc(Br)ccc3[nH+]2)C1 ZINC001165279575 1383264782 /nfs/dbraw/zinc/26/47/82/1383264782.db2.gz WEYRQTOEZGAWHB-LLVKDONJSA-N 2 2 337.265 3.469 20 0 EGADLP COc1cnc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c2cc(Cl)ccc12 ZINC001165353659 1383280285 /nfs/dbraw/zinc/28/02/85/1383280285.db2.gz UHHCQXGUXDKCPV-UHFFFAOYSA-N 2 2 342.830 3.079 20 0 EGADLP CCC(CC)C[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348854 1383606104 /nfs/dbraw/zinc/60/61/04/1383606104.db2.gz WURQMYOGFUYCHN-MRXNPFEDSA-N 2 2 334.508 3.147 20 0 EGADLP C[C@@H](CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001167348512 1383606123 /nfs/dbraw/zinc/60/61/23/1383606123.db2.gz KIILARRUMQRDRT-KRWDZBQOSA-N 2 2 346.519 3.291 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348809 1383606165 /nfs/dbraw/zinc/60/61/65/1383606165.db2.gz VKACCEISRMOPST-ROUUACIJSA-N 2 2 348.535 3.393 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167422041 1383629192 /nfs/dbraw/zinc/62/91/92/1383629192.db2.gz HAZYZVFZMBCXBE-INIZCTEOSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167422041 1383629196 /nfs/dbraw/zinc/62/91/96/1383629196.db2.gz HAZYZVFZMBCXBE-INIZCTEOSA-N 2 2 346.519 3.045 20 0 EGADLP c1ccc(C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCO2)cc1 ZINC001168004359 1383793832 /nfs/dbraw/zinc/79/38/32/1383793832.db2.gz UWGPRSOIBXEHMZ-PJEZACDQSA-N 2 2 340.511 3.335 20 0 EGADLP c1ccc(C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCO2)cc1 ZINC001168004359 1383793836 /nfs/dbraw/zinc/79/38/36/1383793836.db2.gz UWGPRSOIBXEHMZ-PJEZACDQSA-N 2 2 340.511 3.335 20 0 EGADLP c1ccc(C[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CCO2)cc1 ZINC001168004359 1383793838 /nfs/dbraw/zinc/79/38/38/1383793838.db2.gz UWGPRSOIBXEHMZ-PJEZACDQSA-N 2 2 340.511 3.335 20 0 EGADLP c1ccc(C[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CCO2)cc1 ZINC001168004359 1383793842 /nfs/dbraw/zinc/79/38/42/1383793842.db2.gz UWGPRSOIBXEHMZ-PJEZACDQSA-N 2 2 340.511 3.335 20 0 EGADLP C[C@H]1CC([NH2+]CCCn2cc[nH+]c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005441 1383795259 /nfs/dbraw/zinc/79/52/59/1383795259.db2.gz ITSDBTDKVBKIBW-ROUUACIJSA-N 3 2 326.488 3.304 20 0 EGADLP C[C@H]1CC(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065506 1383808580 /nfs/dbraw/zinc/80/85/80/1383808580.db2.gz XBIHDERHJMHLTD-MEZWHVQBSA-N 2 2 327.516 3.064 20 0 EGADLP C[C@H]1CC(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065506 1383808585 /nfs/dbraw/zinc/80/85/85/1383808585.db2.gz XBIHDERHJMHLTD-MEZWHVQBSA-N 2 2 327.516 3.064 20 0 EGADLP C1=CC[C@@H](C[NH+]2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001168371980 1383887317 /nfs/dbraw/zinc/88/73/17/1383887317.db2.gz RECMADRRPDEVDH-GOSISDBHSA-N 3 2 331.548 3.271 20 0 EGADLP COc1ccc(C[C@@](C)([NH3+])CNc2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC001307073725 1383936702 /nfs/dbraw/zinc/93/67/02/1383936702.db2.gz ZUCZIFKMMNEZTA-HXUWFJFHSA-N 2 2 340.471 3.433 20 0 EGADLP COC(=O)C1(C)CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168767470 1383996767 /nfs/dbraw/zinc/99/67/67/1383996767.db2.gz JQXSCADOFYFKOO-OQJVAOMSSA-N 2 2 345.487 3.280 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531365 1383998384 /nfs/dbraw/zinc/99/83/84/1383998384.db2.gz SWLHONKASREBTL-JSGCOSHPSA-N 2 2 326.387 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531365 1383998392 /nfs/dbraw/zinc/99/83/92/1383998392.db2.gz SWLHONKASREBTL-JSGCOSHPSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531365 1383998395 /nfs/dbraw/zinc/99/83/95/1383998395.db2.gz SWLHONKASREBTL-JSGCOSHPSA-N 2 2 326.387 3.170 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2OC(F)(F)O3)[C@@H](C)C1 ZINC001307531365 1383998400 /nfs/dbraw/zinc/99/84/00/1383998400.db2.gz SWLHONKASREBTL-JSGCOSHPSA-N 2 2 326.387 3.170 20 0 EGADLP COC(=O)C1(C)CCC(N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001168795474 1384007566 /nfs/dbraw/zinc/00/75/66/1384007566.db2.gz ARHPKCXGWHXZNS-UHFFFAOYSA-N 2 2 345.487 3.070 20 0 EGADLP COC(=O)[C@H]1CCCC[C@@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307676787 1384011676 /nfs/dbraw/zinc/01/16/76/1384011676.db2.gz QFKZNDXCAMQSDB-MOPGFXCFSA-N 2 2 347.503 3.355 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001308091113 1384090739 /nfs/dbraw/zinc/09/07/39/1384090739.db2.gz XLLGDAKCIZOBFK-CQSZACIVSA-N 2 2 331.847 3.454 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c1 ZINC001308091113 1384090741 /nfs/dbraw/zinc/09/07/41/1384090741.db2.gz XLLGDAKCIZOBFK-CQSZACIVSA-N 2 2 331.847 3.454 20 0 EGADLP C[C@@H]1CC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC001308227389 1384110915 /nfs/dbraw/zinc/11/09/15/1384110915.db2.gz HNEQLWTZDUTIIE-ROUUACIJSA-N 2 2 346.515 3.312 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129559 1384111359 /nfs/dbraw/zinc/11/13/59/1384111359.db2.gz JKIIXQDMDQRARO-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129559 1384111360 /nfs/dbraw/zinc/11/13/60/1384111360.db2.gz JKIIXQDMDQRARO-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129559 1384111362 /nfs/dbraw/zinc/11/13/62/1384111362.db2.gz JKIIXQDMDQRARO-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCCC13CN(C(=O)OC(C)(C)C)C3)C2 ZINC001169129559 1384111365 /nfs/dbraw/zinc/11/13/65/1384111365.db2.gz JKIIXQDMDQRARO-FVQHAEBGSA-N 2 2 349.519 3.087 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114531 /nfs/dbraw/zinc/11/45/31/1384114531.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 3 2 339.527 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114533 /nfs/dbraw/zinc/11/45/33/1384114533.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114534 /nfs/dbraw/zinc/11/45/34/1384114534.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145565 1384114537 /nfs/dbraw/zinc/11/45/37/1384114537.db2.gz MZOHVQKTWCNSRD-CIAFKFPVSA-N 3 2 339.527 3.210 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001169154950 1384116304 /nfs/dbraw/zinc/11/63/04/1384116304.db2.gz VBZMTZBXBPAPRW-FVQHAEBGSA-N 2 2 330.447 3.346 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)c3ccccc3F)CC1)C2 ZINC001169154950 1384116307 /nfs/dbraw/zinc/11/63/07/1384116307.db2.gz VBZMTZBXBPAPRW-FVQHAEBGSA-N 2 2 330.447 3.346 20 0 EGADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC001308605388 1384135744 /nfs/dbraw/zinc/13/57/44/1384135744.db2.gz ANTHADCGNGVSQW-CYBMUJFWSA-N 2 2 339.505 3.045 20 0 EGADLP COc1cc(Br)ccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001308707873 1384143833 /nfs/dbraw/zinc/14/38/33/1384143833.db2.gz ZNAAPPQUEANNMV-UHFFFAOYSA-N 2 2 341.293 3.420 20 0 EGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169745343 1384181440 /nfs/dbraw/zinc/18/14/40/1384181440.db2.gz LHJHWICXRJHFBC-OALUTQOASA-N 2 2 343.515 3.144 20 0 EGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169745343 1384181442 /nfs/dbraw/zinc/18/14/42/1384181442.db2.gz LHJHWICXRJHFBC-OALUTQOASA-N 2 2 343.515 3.144 20 0 EGADLP CC(C)(C)CCC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023472 1384220252 /nfs/dbraw/zinc/22/02/52/1384220252.db2.gz YKSHHZWSOFHOOW-UHFFFAOYSA-N 2 2 342.487 3.408 20 0 EGADLP Cc1ccc[nH+]c1N[C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001170714602 1384372672 /nfs/dbraw/zinc/37/26/72/1384372672.db2.gz IJECNVAQOQLCPR-WGSAOQKQSA-N 2 2 328.504 3.141 20 0 EGADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+]([C@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)n1 ZINC001170749258 1384377592 /nfs/dbraw/zinc/37/75/92/1384377592.db2.gz DOKIAYDNDADTNH-REPLKXPHSA-N 2 2 342.531 3.285 20 0 EGADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+]([C@H]2C[C@@H]4[C@H](C2)C4(C)C)CC3)n1 ZINC001170749258 1384377593 /nfs/dbraw/zinc/37/75/93/1384377593.db2.gz DOKIAYDNDADTNH-REPLKXPHSA-N 2 2 342.531 3.285 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCCC[NH2+]CC(C)C)ccn12 ZINC001170784302 1384384408 /nfs/dbraw/zinc/38/44/08/1384384408.db2.gz IDUKPLGOWJKOIP-HNNXBMFYSA-N 2 2 330.476 3.177 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCCC[NH2+]CC[C@H](C)F)ccn12 ZINC001170786337 1384385229 /nfs/dbraw/zinc/38/52/29/1384385229.db2.gz RZKAGYBILMDYDM-GJZGRUSLSA-N 2 2 348.466 3.269 20 0 EGADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)C2 ZINC001171024723 1384431837 /nfs/dbraw/zinc/43/18/37/1384431837.db2.gz GZATUGNOYVJYKU-CVEARBPZSA-N 2 2 334.891 3.040 20 0 EGADLP Clc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)C2 ZINC001171024723 1384431838 /nfs/dbraw/zinc/43/18/38/1384431838.db2.gz GZATUGNOYVJYKU-CVEARBPZSA-N 2 2 334.891 3.040 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150492 1384455459 /nfs/dbraw/zinc/45/54/59/1384455459.db2.gz BAUONIWELZOMAA-DLBZAZTESA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150492 1384455460 /nfs/dbraw/zinc/45/54/60/1384455460.db2.gz BAUONIWELZOMAA-DLBZAZTESA-N 2 2 336.524 3.289 20 0 EGADLP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001171334939 1384496473 /nfs/dbraw/zinc/49/64/73/1384496473.db2.gz WWELIEKCQRZMKL-HNNXBMFYSA-N 2 2 334.891 3.376 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001171410668 1384515749 /nfs/dbraw/zinc/51/57/49/1384515749.db2.gz XHXRQDFWJMNGCM-WMZOPIPTSA-N 2 2 334.508 3.145 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595813 1384574012 /nfs/dbraw/zinc/57/40/12/1384574012.db2.gz HHWZHXZVDWKODC-SJORKVTESA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171595811 1384574549 /nfs/dbraw/zinc/57/45/49/1384574549.db2.gz HHWZHXZVDWKODC-IRXDYDNUSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@H]1C[C@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171764159 1384629002 /nfs/dbraw/zinc/62/90/02/1384629002.db2.gz RFUGFSVJPDVTGP-WMZOPIPTSA-N 2 2 349.469 3.065 20 0 EGADLP C[C@H]1C[C@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171764159 1384629005 /nfs/dbraw/zinc/62/90/05/1384629005.db2.gz RFUGFSVJPDVTGP-WMZOPIPTSA-N 2 2 349.469 3.065 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896042 1384673348 /nfs/dbraw/zinc/67/33/48/1384673348.db2.gz IMIDOXYCOFONOB-IPLHWJFFSA-N 2 2 348.535 3.364 20 0 EGADLP CCOC(=O)C1(C)CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001171957639 1384696542 /nfs/dbraw/zinc/69/65/42/1384696542.db2.gz XXENPIJEWIRFFP-UHFFFAOYSA-N 2 2 345.487 3.152 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698723 /nfs/dbraw/zinc/69/87/23/1384698723.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698724 /nfs/dbraw/zinc/69/87/24/1384698724.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698727 /nfs/dbraw/zinc/69/87/27/1384698727.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969203 1384698730 /nfs/dbraw/zinc/69/87/30/1384698730.db2.gz UJMIUHPKWRTCRR-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987134 1384705882 /nfs/dbraw/zinc/70/58/82/1384705882.db2.gz PFOFVFWQEXUHKG-LJQANCHMSA-N 2 2 327.516 3.067 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987134 1384705885 /nfs/dbraw/zinc/70/58/85/1384705885.db2.gz PFOFVFWQEXUHKG-LJQANCHMSA-N 2 2 327.516 3.067 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC12CCCCC2 ZINC001172060082 1384713699 /nfs/dbraw/zinc/71/36/99/1384713699.db2.gz NLHGVGGSILMRDO-HZPDHXFCSA-N 2 2 337.508 3.122 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CC12CCCCC2 ZINC001172060082 1384713701 /nfs/dbraw/zinc/71/37/01/1384713701.db2.gz NLHGVGGSILMRDO-HZPDHXFCSA-N 2 2 337.508 3.122 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC001172115572 1384730955 /nfs/dbraw/zinc/73/09/55/1384730955.db2.gz SMOPPQCTVOSLTO-ZSOGYDGISA-N 2 2 339.277 3.260 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC001172115572 1384730957 /nfs/dbraw/zinc/73/09/57/1384730957.db2.gz SMOPPQCTVOSLTO-ZSOGYDGISA-N 2 2 339.277 3.260 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC001172113524 1384731516 /nfs/dbraw/zinc/73/15/16/1384731516.db2.gz JLNKYPJKWJCSPL-CEQLMSFQSA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC001172113524 1384731520 /nfs/dbraw/zinc/73/15/20/1384731520.db2.gz JLNKYPJKWJCSPL-CEQLMSFQSA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172223136 1384751273 /nfs/dbraw/zinc/75/12/73/1384751273.db2.gz OCAKVUYXRIGHSO-IHWFROFDSA-N 2 2 332.463 3.398 20 0 EGADLP COCCC[NH+]1CCC([N@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC001172252210 1384755605 /nfs/dbraw/zinc/75/56/05/1384755605.db2.gz IUJBOZGZRDJTPD-UHFFFAOYSA-N 2 2 345.409 3.033 20 0 EGADLP COCCC[NH+]1CCC([N@@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC001172252210 1384755610 /nfs/dbraw/zinc/75/56/10/1384755610.db2.gz IUJBOZGZRDJTPD-UHFFFAOYSA-N 2 2 345.409 3.033 20 0 EGADLP Cc1ccccc1C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317017440 1384782252 /nfs/dbraw/zinc/78/22/52/1384782252.db2.gz DFEQDVRWUGGHCX-FQEVSTJZSA-N 2 2 348.450 3.170 20 0 EGADLP COc1cc(N([C@H](C)CCOCC(C)C)C2CC[NH2+]CC2)cc[nH+]1 ZINC001172479990 1384802135 /nfs/dbraw/zinc/80/21/35/1384802135.db2.gz MFTSGSIYXOKLDM-MRXNPFEDSA-N 2 2 335.492 3.100 20 0 EGADLP CC1(C)CC([N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655643 1384826463 /nfs/dbraw/zinc/82/64/63/1384826463.db2.gz APNZAHIQXIUZDA-HDICACEKSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655643 1384826465 /nfs/dbraw/zinc/82/64/65/1384826465.db2.gz APNZAHIQXIUZDA-HDICACEKSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655643 1384826468 /nfs/dbraw/zinc/82/64/68/1384826468.db2.gz APNZAHIQXIUZDA-HDICACEKSA-N 2 2 343.515 3.181 20 0 EGADLP CC1(C)CC([NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655643 1384826470 /nfs/dbraw/zinc/82/64/70/1384826470.db2.gz APNZAHIQXIUZDA-HDICACEKSA-N 2 2 343.515 3.181 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001172779431 1384850393 /nfs/dbraw/zinc/85/03/93/1384850393.db2.gz FUIHBSAOTKMKTH-DLBZAZTESA-N 2 2 327.428 3.303 20 0 EGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172847635 1384864523 /nfs/dbraw/zinc/86/45/23/1384864523.db2.gz MNQHQKSVTGWZKR-KGLIPLIRSA-N 2 2 340.870 3.253 20 0 EGADLP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172847635 1384864527 /nfs/dbraw/zinc/86/45/27/1384864527.db2.gz MNQHQKSVTGWZKR-KGLIPLIRSA-N 2 2 340.870 3.253 20 0 EGADLP CO[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001172914912 1384877598 /nfs/dbraw/zinc/87/75/98/1384877598.db2.gz LYFDZFFASPUOGG-NHCUHLMSSA-N 2 2 330.516 3.488 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173113253 1384917953 /nfs/dbraw/zinc/91/79/53/1384917953.db2.gz IRJMZKRFRBGZFQ-ACBHZAAOSA-N 3 2 331.504 3.496 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173113253 1384917954 /nfs/dbraw/zinc/91/79/54/1384917954.db2.gz IRJMZKRFRBGZFQ-ACBHZAAOSA-N 3 2 331.504 3.496 20 0 EGADLP CCSC[C@@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001173289568 1384952666 /nfs/dbraw/zinc/95/26/66/1384952666.db2.gz WPABMUDSVFHCMB-GFCCVEGCSA-N 2 2 333.592 3.169 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173629909 1384992054 /nfs/dbraw/zinc/99/20/54/1384992054.db2.gz CXXMCUWBTMQNHG-JKSUJKDBSA-N 2 2 348.462 3.197 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661773 1384998389 /nfs/dbraw/zinc/99/83/89/1384998389.db2.gz SRSHUBSRJZMPBS-HKUYNNGSSA-N 2 2 341.455 3.426 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661773 1384998391 /nfs/dbraw/zinc/99/83/91/1384998391.db2.gz SRSHUBSRJZMPBS-HKUYNNGSSA-N 2 2 341.455 3.426 20 0 EGADLP C[NH+]1CC(C[NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173705900 1385005949 /nfs/dbraw/zinc/00/59/49/1385005949.db2.gz FOXPFCSKAZHMGJ-NRFANRHFSA-N 2 2 336.479 3.274 20 0 EGADLP c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(N2CCOCC2)[nH+]1 ZINC001174522357 1385116257 /nfs/dbraw/zinc/11/62/57/1385116257.db2.gz IPRDPJBKMYBMGF-UHFFFAOYSA-N 2 2 339.443 3.047 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174580490 1385122036 /nfs/dbraw/zinc/12/20/36/1385122036.db2.gz KEOZIYGQEFVUDN-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358739 1385265086 /nfs/dbraw/zinc/26/50/86/1385265086.db2.gz OBABSWSJGHKEJA-FZGCCYDFSA-N 2 2 346.519 3.145 20 0 EGADLP COC(=O)Cc1ccccc1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001175668796 1385367628 /nfs/dbraw/zinc/36/76/28/1385367628.db2.gz HOZPCUUWVNZIED-FQEVSTJZSA-N 2 2 349.434 3.130 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176164308 1385500111 /nfs/dbraw/zinc/50/01/11/1385500111.db2.gz ACDZINWKFRILHF-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176351005 1385559679 /nfs/dbraw/zinc/55/96/79/1385559679.db2.gz OHPOPWLKMOVQBF-MRXNPFEDSA-N 2 2 342.487 3.034 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001176809454 1385709649 /nfs/dbraw/zinc/70/96/49/1385709649.db2.gz AAORBCZBVLEVHQ-QGZVFWFLSA-N 2 2 336.524 3.364 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001176830032 1385716353 /nfs/dbraw/zinc/71/63/53/1385716353.db2.gz YOCLORFDJZQKKV-MSOLQXFVSA-N 2 2 342.487 3.217 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001176829795 1385716364 /nfs/dbraw/zinc/71/63/64/1385716364.db2.gz PYBTUCBTKQYYGA-OAHLLOKOSA-N 2 2 348.878 3.001 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001318686945 1385840146 /nfs/dbraw/zinc/84/01/46/1385840146.db2.gz SBRJFOCECYQXAP-XOBRGWDASA-N 2 2 342.487 3.177 20 0 EGADLP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378993 1385935199 /nfs/dbraw/zinc/93/51/99/1385935199.db2.gz RBFGRGULHNSZJX-SFHVURJKSA-N 2 2 348.535 3.318 20 0 EGADLP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177431313 1385954698 /nfs/dbraw/zinc/95/46/98/1385954698.db2.gz SOZAYFMJROAFJC-UHFFFAOYSA-N 2 2 334.508 3.141 20 0 EGADLP CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC001319103243 1385961218 /nfs/dbraw/zinc/96/12/18/1385961218.db2.gz GHEMUBWVQKZQRT-SFHVURJKSA-N 2 2 327.428 3.180 20 0 EGADLP CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC001319103243 1385961222 /nfs/dbraw/zinc/96/12/22/1385961222.db2.gz GHEMUBWVQKZQRT-SFHVURJKSA-N 2 2 327.428 3.180 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001319219742 1386010980 /nfs/dbraw/zinc/01/09/80/1386010980.db2.gz VCWFYQILNVMYMH-NSHDSACASA-N 2 2 339.430 3.008 20 0 EGADLP CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC001177791469 1386046577 /nfs/dbraw/zinc/04/65/77/1386046577.db2.gz YZDAYFIEMAXNSZ-UHFFFAOYSA-N 2 2 332.488 3.068 20 0 EGADLP COc1ccccc1OCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319491401 1386145209 /nfs/dbraw/zinc/14/52/09/1386145209.db2.gz QJNJTNNQKQAZOK-QGZVFWFLSA-N 2 2 341.455 3.354 20 0 EGADLP COc1ccccc1OCC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319491401 1386145214 /nfs/dbraw/zinc/14/52/14/1386145214.db2.gz QJNJTNNQKQAZOK-QGZVFWFLSA-N 2 2 341.455 3.354 20 0 EGADLP CC[C@]1([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCOC1 ZINC001178640177 1386266540 /nfs/dbraw/zinc/26/65/40/1386266540.db2.gz OELQAZLHEZNKTC-SFHVURJKSA-N 2 2 349.862 3.274 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001178649343 1386269222 /nfs/dbraw/zinc/26/92/22/1386269222.db2.gz CBUMGUKSBSWHRN-FGTMMUONSA-N 2 2 346.519 3.045 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001178649343 1386269226 /nfs/dbraw/zinc/26/92/26/1386269226.db2.gz CBUMGUKSBSWHRN-FGTMMUONSA-N 2 2 346.519 3.045 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3CC[NH2+]C(C)C)ccn12 ZINC001319749623 1386279523 /nfs/dbraw/zinc/27/95/23/1386279523.db2.gz HCJAPHODFKHSGK-QGZVFWFLSA-N 2 2 328.460 3.026 20 0 EGADLP CC(C)[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157574 1386413107 /nfs/dbraw/zinc/41/31/07/1386413107.db2.gz LUUMGZLDASXLGS-UHFFFAOYSA-N 2 2 328.460 3.161 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001320145248 1386534273 /nfs/dbraw/zinc/53/42/73/1386534273.db2.gz KXUIFROOQSHVBB-QGZVFWFLSA-N 2 2 339.439 3.253 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001320145248 1386534275 /nfs/dbraw/zinc/53/42/75/1386534275.db2.gz KXUIFROOQSHVBB-QGZVFWFLSA-N 2 2 339.439 3.253 20 0 EGADLP C[C@H](CC(=O)NCCCCCC[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001179705360 1386560740 /nfs/dbraw/zinc/56/07/40/1386560740.db2.gz ANFDPJIAPGTFQV-MRXNPFEDSA-N 2 2 348.516 3.362 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179777184 1386581384 /nfs/dbraw/zinc/58/13/84/1386581384.db2.gz PSUOCNAFSMKLIO-BDUNBXCCSA-N 2 2 334.508 3.211 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179777184 1386581388 /nfs/dbraw/zinc/58/13/88/1386581388.db2.gz PSUOCNAFSMKLIO-BDUNBXCCSA-N 2 2 334.508 3.211 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320438811 1386610009 /nfs/dbraw/zinc/61/00/09/1386610009.db2.gz HRLLTAZATJYOBE-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320438811 1386610012 /nfs/dbraw/zinc/61/00/12/1386610012.db2.gz HRLLTAZATJYOBE-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001179906789 1386623896 /nfs/dbraw/zinc/62/38/96/1386623896.db2.gz LNHKPIJRKQQHCQ-GOSISDBHSA-N 2 2 342.487 3.370 20 0 EGADLP C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392878 1386782742 /nfs/dbraw/zinc/78/27/42/1386782742.db2.gz JEGSHWFOUZWZII-QUCCMNQESA-N 2 2 346.515 3.408 20 0 EGADLP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392878 1386782743 /nfs/dbraw/zinc/78/27/43/1386782743.db2.gz JEGSHWFOUZWZII-QUCCMNQESA-N 2 2 346.515 3.408 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001322155589 1387079468 /nfs/dbraw/zinc/07/94/68/1387079468.db2.gz DJVGHDRXRYQGOU-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001322155589 1387079472 /nfs/dbraw/zinc/07/94/72/1387079472.db2.gz DJVGHDRXRYQGOU-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001322194076 1387096052 /nfs/dbraw/zinc/09/60/52/1387096052.db2.gz PHCODZYIFZTSAB-AWEZNQCLSA-N 2 2 330.476 3.439 20 0 EGADLP C[C@@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001322194076 1387096055 /nfs/dbraw/zinc/09/60/55/1387096055.db2.gz PHCODZYIFZTSAB-AWEZNQCLSA-N 2 2 330.476 3.439 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Sc1ccccn1 ZINC001322437114 1387186388 /nfs/dbraw/zinc/18/63/88/1387186388.db2.gz HIQBXQJOEHLVLE-LBPRGKRZSA-N 2 2 339.424 3.090 20 0 EGADLP COc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c(Cl)c1 ZINC001322867650 1387249267 /nfs/dbraw/zinc/24/92/67/1387249267.db2.gz HNZYJHIMYUPDEY-UHFFFAOYSA-N 2 2 342.786 3.490 20 0 EGADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+][C@H](C)c1ccccc1 ZINC001331505156 1389773739 /nfs/dbraw/zinc/77/37/39/1389773739.db2.gz SNDZFHPNBKXWFE-HZPDHXFCSA-N 2 2 336.439 3.146 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCN(C)c2ccccc21 ZINC001332439242 1390118378 /nfs/dbraw/zinc/11/83/78/1390118378.db2.gz GFXOEKDEFXLMLE-INIZCTEOSA-N 2 2 347.422 3.138 20 0 EGADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001332507300 1390129148 /nfs/dbraw/zinc/12/91/48/1390129148.db2.gz NFHMJTDSNCAXEW-HNAYVOBHSA-N 2 2 338.455 3.095 20 0 EGADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001332507300 1390129149 /nfs/dbraw/zinc/12/91/49/1390129149.db2.gz NFHMJTDSNCAXEW-HNAYVOBHSA-N 2 2 338.455 3.095 20 0 EGADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001332507301 1390129302 /nfs/dbraw/zinc/12/93/02/1390129302.db2.gz NFHMJTDSNCAXEW-KXBFYZLASA-N 2 2 338.455 3.095 20 0 EGADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001332507301 1390129306 /nfs/dbraw/zinc/12/93/06/1390129306.db2.gz NFHMJTDSNCAXEW-KXBFYZLASA-N 2 2 338.455 3.095 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CO2 ZINC001333161300 1390258193 /nfs/dbraw/zinc/25/81/93/1390258193.db2.gz MJPABGMGHDTBGK-AZUAARDMSA-N 2 2 349.434 3.226 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(F)c(C)cc1F ZINC001340275887 1390263272 /nfs/dbraw/zinc/26/32/72/1390263272.db2.gz HZWPPLILLTVRCA-UHFFFAOYSA-N 2 2 328.322 3.415 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc(C2CCC2)[nH+]1 ZINC001334173877 1390493233 /nfs/dbraw/zinc/49/32/33/1390493233.db2.gz UAHJMVPTDWOIDW-ROUUACIJSA-N 2 2 344.503 3.232 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC001341761024 1390526553 /nfs/dbraw/zinc/52/65/53/1390526553.db2.gz VUXVZXLWUREQTE-UHFFFAOYSA-N 2 2 326.488 3.393 20 0 EGADLP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n(C2CC2)c1 ZINC001344070885 1390753627 /nfs/dbraw/zinc/75/36/27/1390753627.db2.gz XPAISCGSUCTHRS-NRFANRHFSA-N 2 2 339.483 3.204 20 0 EGADLP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n(C2CC2)c1 ZINC001344070885 1390753628 /nfs/dbraw/zinc/75/36/28/1390753628.db2.gz XPAISCGSUCTHRS-NRFANRHFSA-N 2 2 339.483 3.204 20 0 EGADLP CCCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC2CCC2)CC1 ZINC001479996729 1392528805 /nfs/dbraw/zinc/52/88/05/1392528805.db2.gz SXZVRXRPQTYXLL-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374723 1392718043 /nfs/dbraw/zinc/71/80/43/1392718043.db2.gz WPDHQKCWQQTNMJ-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374723 1392718046 /nfs/dbraw/zinc/71/80/46/1392718046.db2.gz WPDHQKCWQQTNMJ-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP CCC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)CC1CCCCC1 ZINC001481142142 1393131912 /nfs/dbraw/zinc/13/19/12/1393131912.db2.gz UXOCZDHPJSOGGM-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)CC1CCCCC1 ZINC001481142142 1393131913 /nfs/dbraw/zinc/13/19/13/1393131913.db2.gz UXOCZDHPJSOGGM-UHFFFAOYSA-N 2 2 342.487 3.356 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001490960291 1394384964 /nfs/dbraw/zinc/38/49/64/1394384964.db2.gz QFQCYTAHVZXRCP-VJANTYMQSA-N 2 2 346.519 3.117 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]C/C=C/Cl)CC2)c(C)[nH+]1 ZINC001482019462 1394676227 /nfs/dbraw/zinc/67/62/27/1394676227.db2.gz JJXORNZCSCAYBF-OIQFLZLASA-N 2 2 335.879 3.390 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001698973626 1406740251 /nfs/dbraw/zinc/74/02/51/1406740251.db2.gz ZBUZDJBEBXGPMZ-CXAGYDPISA-N 2 2 348.878 3.097 20 0 EGADLP CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH+](CC2CCC2)CC1 ZINC001484138858 1395275607 /nfs/dbraw/zinc/27/56/07/1395275607.db2.gz PEMVPAHHURDQRB-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP CC[C@@H](C(=O)NC1C[NH+]([C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001494453990 1396448134 /nfs/dbraw/zinc/44/81/34/1396448134.db2.gz WSXACFUATYNXAR-KXBFYZLASA-N 2 2 331.504 3.012 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001498443223 1396996077 /nfs/dbraw/zinc/99/60/77/1396996077.db2.gz JWBYNJVFYSURMX-TZMCWYRMSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001498443223 1396996080 /nfs/dbraw/zinc/99/60/80/1396996080.db2.gz JWBYNJVFYSURMX-TZMCWYRMSA-N 2 2 348.878 3.112 20 0 EGADLP C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001689902931 1404196598 /nfs/dbraw/zinc/19/65/98/1404196598.db2.gz OXWGGVQLCFOWOY-RMBBKXHCSA-N 2 2 346.862 3.288 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001690291380 1404451502 /nfs/dbraw/zinc/45/15/02/1404451502.db2.gz VRLCOZXEKBEZLT-OWYHZJEWSA-N 2 2 340.471 3.222 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001690652278 1404683861 /nfs/dbraw/zinc/68/38/61/1404683861.db2.gz PZQJHFMWLNIYQA-HUUCEWRRSA-N 2 2 348.878 3.172 20 0 EGADLP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725178983 1425699629 /nfs/dbraw/zinc/69/96/29/1425699629.db2.gz RZYGRFNHWNVAHH-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725178983 1425699636 /nfs/dbraw/zinc/69/96/36/1425699636.db2.gz RZYGRFNHWNVAHH-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)C/C=C\c3ccccc3)ccn12 ZINC001690941363 1404847066 /nfs/dbraw/zinc/84/70/66/1404847066.db2.gz ADBYYHUGVPEHPY-TWGQIWQCSA-N 2 2 348.450 3.018 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)C/C=C\c3ccccc3)ccn12 ZINC001690941363 1404847068 /nfs/dbraw/zinc/84/70/68/1404847068.db2.gz ADBYYHUGVPEHPY-TWGQIWQCSA-N 2 2 348.450 3.018 20 0 EGADLP C[NH+](C)[C@@H](C(=O)NC1C[NH+](CC2CCCCCC2)C1)c1ccccc1 ZINC001692266584 1405897959 /nfs/dbraw/zinc/89/79/59/1405897959.db2.gz LSXXYHOPBLMZAD-HXUWFJFHSA-N 2 2 343.515 3.060 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001732036684 1428258370 /nfs/dbraw/zinc/25/83/70/1428258370.db2.gz HPAUANNMYGGSJV-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP CCCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001732036684 1428258372 /nfs/dbraw/zinc/25/83/72/1428258372.db2.gz HPAUANNMYGGSJV-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC001732311074 1428524068 /nfs/dbraw/zinc/52/40/68/1428524068.db2.gz KSVZEXMYUZAGRW-BHIYHBOVSA-N 2 2 340.471 3.051 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699207594 1412574590 /nfs/dbraw/zinc/57/45/90/1412574590.db2.gz TVQLMGDBOQQINU-JKSUJKDBSA-N 2 2 346.450 3.173 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461483 1414061704 /nfs/dbraw/zinc/06/17/04/1414061704.db2.gz QBSKBAZYYFJUDC-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461483 1414061710 /nfs/dbraw/zinc/06/17/10/1414061710.db2.gz QBSKBAZYYFJUDC-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461483 1414061715 /nfs/dbraw/zinc/06/17/15/1414061715.db2.gz QBSKBAZYYFJUDC-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001700461483 1414061719 /nfs/dbraw/zinc/06/17/19/1414061719.db2.gz QBSKBAZYYFJUDC-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732584411 1428794939 /nfs/dbraw/zinc/79/49/39/1428794939.db2.gz TUQRBXHQFUDSCB-UHFFFAOYSA-N 2 2 336.439 3.075 20 0 EGADLP Cc1ccccc1C[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732584411 1428794941 /nfs/dbraw/zinc/79/49/41/1428794941.db2.gz TUQRBXHQFUDSCB-UHFFFAOYSA-N 2 2 336.439 3.075 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001732592689 1428818871 /nfs/dbraw/zinc/81/88/71/1428818871.db2.gz LIMVOLMZVXTYDI-MSOLQXFVSA-N 2 2 342.487 3.294 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001732592689 1428818875 /nfs/dbraw/zinc/81/88/75/1428818875.db2.gz LIMVOLMZVXTYDI-MSOLQXFVSA-N 2 2 342.487 3.294 20 0 EGADLP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732960007 1429083505 /nfs/dbraw/zinc/08/35/05/1429083505.db2.gz KTHDREJIBSVMIQ-CQSZACIVSA-N 2 2 342.487 3.487 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001713101257 1417654547 /nfs/dbraw/zinc/65/45/47/1417654547.db2.gz QPDFEPQHIXXNMH-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713223829 1417810427 /nfs/dbraw/zinc/81/04/27/1417810427.db2.gz IDABUNGIZWTFLQ-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713223829 1417810431 /nfs/dbraw/zinc/81/04/31/1417810431.db2.gz IDABUNGIZWTFLQ-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001713315435 1417941111 /nfs/dbraw/zinc/94/11/11/1417941111.db2.gz WEQSAGPATDVABP-HOTGVXAUSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001713315435 1417941114 /nfs/dbraw/zinc/94/11/14/1417941114.db2.gz WEQSAGPATDVABP-HOTGVXAUSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@@H]([NH2+]C/C=C\Cl)C3)ccn12 ZINC001713372951 1417983552 /nfs/dbraw/zinc/98/35/52/1417983552.db2.gz LLJWOTUACSDQDI-GTOOTHNYSA-N 2 2 346.862 3.026 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC001713493725 1418196409 /nfs/dbraw/zinc/19/64/09/1418196409.db2.gz RXGPAMNOOZHRQW-CVEARBPZSA-N 2 2 346.450 3.173 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1 ZINC001713493725 1418196414 /nfs/dbraw/zinc/19/64/14/1418196414.db2.gz RXGPAMNOOZHRQW-CVEARBPZSA-N 2 2 346.450 3.173 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CC3CC3)c3ccccc3)ccn12 ZINC001713702048 1418460332 /nfs/dbraw/zinc/46/03/32/1418460332.db2.gz GCUJDBVBBJBEPZ-IBGZPJMESA-N 2 2 348.450 3.113 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001713857669 1418654468 /nfs/dbraw/zinc/65/44/68/1418654468.db2.gz DBOGHOBVAKMGOG-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004570 1418783432 /nfs/dbraw/zinc/78/34/32/1418783432.db2.gz UDFIHSHTYLWBMJ-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004570 1418783434 /nfs/dbraw/zinc/78/34/34/1418783434.db2.gz UDFIHSHTYLWBMJ-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004570 1418783442 /nfs/dbraw/zinc/78/34/42/1418783442.db2.gz UDFIHSHTYLWBMJ-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004570 1418783444 /nfs/dbraw/zinc/78/34/44/1418783444.db2.gz UDFIHSHTYLWBMJ-RBUKOAKNSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(F)c2)c(C)[nH+]1 ZINC001714255794 1419039855 /nfs/dbraw/zinc/03/98/55/1419039855.db2.gz DYLQBWKSLKEWEG-CQSZACIVSA-N 2 2 329.419 3.054 20 0 EGADLP Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001714415938 1419153394 /nfs/dbraw/zinc/15/33/94/1419153394.db2.gz NMZOHXLWEVGKJU-OAHLLOKOSA-N 2 2 339.483 3.471 20 0 EGADLP Cc1cccc(C[N@@H+](CCNC(=O)c2cccc3[nH+]ccn32)C2CC2)c1 ZINC001714669438 1419459204 /nfs/dbraw/zinc/45/92/04/1419459204.db2.gz WQGOKCYNNYFREM-UHFFFAOYSA-N 2 2 348.450 3.037 20 0 EGADLP C[C@H]([NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC001714844826 1419557019 /nfs/dbraw/zinc/55/70/19/1419557019.db2.gz GUMCYTZWHGFWQH-LPHOPBHVSA-N 2 2 348.450 3.161 20 0 EGADLP O=C(N[C@H](C[NH2+]CC1CC1)C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001714981648 1419716415 /nfs/dbraw/zinc/71/64/15/1419716415.db2.gz YUHIWHXVTQPXSJ-LJQANCHMSA-N 2 2 340.471 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]C/C=C/Cl)CCCC2)c(C)[nH+]1 ZINC001715302336 1420010148 /nfs/dbraw/zinc/01/01/48/1420010148.db2.gz GUVKGNVUDLPELP-RMKNXTFCSA-N 2 2 335.879 3.392 20 0 EGADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCCC1 ZINC001716713708 1420867707 /nfs/dbraw/zinc/86/77/07/1420867707.db2.gz OKBGLGBEHZJZSM-QZTJIDSGSA-N 2 2 346.519 3.075 20 0 EGADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCCC1 ZINC001716713708 1420867711 /nfs/dbraw/zinc/86/77/11/1420867711.db2.gz OKBGLGBEHZJZSM-QZTJIDSGSA-N 2 2 346.519 3.075 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332301 1421267433 /nfs/dbraw/zinc/26/74/33/1421267433.db2.gz SOXVAYDVWOWQQP-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332301 1421267437 /nfs/dbraw/zinc/26/74/37/1421267437.db2.gz SOXVAYDVWOWQQP-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332301 1421267438 /nfs/dbraw/zinc/26/74/38/1421267438.db2.gz SOXVAYDVWOWQQP-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332301 1421267442 /nfs/dbraw/zinc/26/74/42/1421267442.db2.gz SOXVAYDVWOWQQP-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375250 1421316602 /nfs/dbraw/zinc/31/66/02/1421316602.db2.gz VZKUQCKSJXMOBU-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375250 1421316606 /nfs/dbraw/zinc/31/66/06/1421316606.db2.gz VZKUQCKSJXMOBU-OALUTQOASA-N 2 2 340.471 3.026 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001724022423 1424631574 /nfs/dbraw/zinc/63/15/74/1424631574.db2.gz KNZLWTYXWBQXIG-UHFFFAOYSA-N 2 2 334.508 3.058 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162583 1424699550 /nfs/dbraw/zinc/69/95/50/1424699550.db2.gz PZCMQKUEUSGYJA-YWZLYKJASA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724162583 1424699554 /nfs/dbraw/zinc/69/95/54/1424699554.db2.gz PZCMQKUEUSGYJA-YWZLYKJASA-N 2 2 342.487 3.439 20 0 EGADLP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724322677 1424809554 /nfs/dbraw/zinc/80/95/54/1424809554.db2.gz GPQNFWSKEJXAEZ-LJQANCHMSA-N 2 2 328.460 3.195 20 0 EGADLP CCCC[N@H+]1CCC[C@](C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001724322677 1424809561 /nfs/dbraw/zinc/80/95/61/1424809561.db2.gz GPQNFWSKEJXAEZ-LJQANCHMSA-N 2 2 328.460 3.195 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]CCC(F)(F)F)[C@@H](C)C2)c(C)[nH+]1 ZINC001724933032 1425319040 /nfs/dbraw/zinc/31/90/40/1425319040.db2.gz GKJADJWNEKYJQR-FZMZJTMJSA-N 2 2 343.393 3.009 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001725336865 1425982985 /nfs/dbraw/zinc/98/29/85/1425982985.db2.gz DWYNJTLXBWQPTB-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001725336865 1425982990 /nfs/dbraw/zinc/98/29/90/1425982990.db2.gz DWYNJTLXBWQPTB-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001725336865 1425982994 /nfs/dbraw/zinc/98/29/94/1425982994.db2.gz DWYNJTLXBWQPTB-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001725336865 1425982999 /nfs/dbraw/zinc/98/29/99/1425982999.db2.gz DWYNJTLXBWQPTB-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725479937 1426155040 /nfs/dbraw/zinc/15/50/40/1426155040.db2.gz HYJFSWVVYRAJLP-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1CCCC(C)(C)C ZINC001725632556 1426301659 /nfs/dbraw/zinc/30/16/59/1426301659.db2.gz OMRNKQSNOHWAEY-SJLPKXTDSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1CCCC(C)(C)C ZINC001725632556 1426301665 /nfs/dbraw/zinc/30/16/65/1426301665.db2.gz OMRNKQSNOHWAEY-SJLPKXTDSA-N 2 2 348.535 3.148 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2C)c(C)[nH+]1 ZINC001731606368 1427651766 /nfs/dbraw/zinc/65/17/66/1427651766.db2.gz PODFENORTWMACF-INIZCTEOSA-N 2 2 325.456 3.223 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001731632697 1427686558 /nfs/dbraw/zinc/68/65/58/1427686558.db2.gz CHCBCXPGXKGIJI-WBMJQRKESA-N 2 2 348.878 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001733778492 1430031390 /nfs/dbraw/zinc/03/13/90/1430031390.db2.gz ZNJQKYRRUTXDIN-KRWDZBQOSA-N 2 2 342.487 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001733778492 1430031396 /nfs/dbraw/zinc/03/13/96/1430031396.db2.gz ZNJQKYRRUTXDIN-KRWDZBQOSA-N 2 2 342.487 3.111 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734103623 1437889254 /nfs/dbraw/zinc/88/92/54/1437889254.db2.gz KYVWFTXIEDNSTP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734103623 1437889255 /nfs/dbraw/zinc/88/92/55/1437889255.db2.gz KYVWFTXIEDNSTP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCCC[N@@H+]1CCC1CCCC1 ZINC001734103623 1437889257 /nfs/dbraw/zinc/88/92/57/1437889257.db2.gz KYVWFTXIEDNSTP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCCC[N@H+]1CCC1CCCC1 ZINC001734103623 1437889259 /nfs/dbraw/zinc/88/92/59/1437889259.db2.gz KYVWFTXIEDNSTP-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001734104244 1437890231 /nfs/dbraw/zinc/89/02/31/1437890231.db2.gz QSFJFYPLUUZWAI-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001734104244 1437890234 /nfs/dbraw/zinc/89/02/34/1437890234.db2.gz QSFJFYPLUUZWAI-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001751988631 1440131085 /nfs/dbraw/zinc/13/10/85/1440131085.db2.gz YEJACAJBBLQMKX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001751988631 1440131086 /nfs/dbraw/zinc/13/10/86/1440131086.db2.gz YEJACAJBBLQMKX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001751988631 1440131087 /nfs/dbraw/zinc/13/10/87/1440131087.db2.gz YEJACAJBBLQMKX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001751988631 1440131088 /nfs/dbraw/zinc/13/10/88/1440131088.db2.gz YEJACAJBBLQMKX-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC(C)CC1 ZINC001752825321 1440223311 /nfs/dbraw/zinc/22/33/11/1440223311.db2.gz PUJPEIICCILHKA-VJFUWPCTSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC001752825321 1440223312 /nfs/dbraw/zinc/22/33/12/1440223312.db2.gz PUJPEIICCILHKA-VJFUWPCTSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972046 1440255278 /nfs/dbraw/zinc/25/52/78/1440255278.db2.gz SPKCUHBSTMWZDF-ZWKOTPCHSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972046 1440255279 /nfs/dbraw/zinc/25/52/79/1440255279.db2.gz SPKCUHBSTMWZDF-ZWKOTPCHSA-N 2 2 346.519 3.330 20 0 EGADLP C[C@H]([NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001753267509 1440345077 /nfs/dbraw/zinc/34/50/77/1440345077.db2.gz VICJYOKZVRCMLV-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753421922 1440395518 /nfs/dbraw/zinc/39/55/18/1440395518.db2.gz BVSODRXZKXHNTK-HOTGVXAUSA-N 2 2 326.444 3.042 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753421922 1440395519 /nfs/dbraw/zinc/39/55/19/1440395519.db2.gz BVSODRXZKXHNTK-HOTGVXAUSA-N 2 2 326.444 3.042 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001753558388 1440436335 /nfs/dbraw/zinc/43/63/35/1440436335.db2.gz BTEVQRSARCIXCM-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001753558389 1440436400 /nfs/dbraw/zinc/43/64/00/1440436400.db2.gz BTEVQRSARCIXCM-SFHVURJKSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001753678399 1440464066 /nfs/dbraw/zinc/46/40/66/1440464066.db2.gz FYNSBCLELAHZES-OAHLLOKOSA-N 2 2 340.471 3.040 20 0 EGADLP C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753699920 1440468166 /nfs/dbraw/zinc/46/81/66/1440468166.db2.gz BTTGKBOEWNJPBE-MRXNPFEDSA-N 2 2 340.471 3.275 20 0 EGADLP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753797270 1440490163 /nfs/dbraw/zinc/49/01/63/1440490163.db2.gz SCQOHEOHKVLEFZ-DZYGNGBISA-N 2 2 346.862 3.146 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001753814687 1440493611 /nfs/dbraw/zinc/49/36/11/1440493611.db2.gz VHBUEUVWMZWWSW-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753819483 1440495317 /nfs/dbraw/zinc/49/53/17/1440495317.db2.gz UBGSSECVKJGOIQ-QAPCUYQASA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCC1CCCCCC1 ZINC001753843428 1440503474 /nfs/dbraw/zinc/50/34/74/1440503474.db2.gz RJFPJNIBUYWVOV-QGZVFWFLSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]CC3CCCCC3)ccn12 ZINC001753965817 1440526532 /nfs/dbraw/zinc/52/65/32/1440526532.db2.gz JIKHCHKVJWKSOH-HNNXBMFYSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753975793 1440527522 /nfs/dbraw/zinc/52/75/22/1440527522.db2.gz MIBZWLPDRPCOEX-KUHUBIRLSA-N 2 2 348.450 3.348 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CCc2ccccc2)c(C)[nH+]1 ZINC001753985043 1440528435 /nfs/dbraw/zinc/52/84/35/1440528435.db2.gz LYAMIGYTGOEARJ-INIZCTEOSA-N 2 2 339.483 3.348 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]C/C=C\c3ccccc3)ccn12 ZINC001754225251 1440553180 /nfs/dbraw/zinc/55/31/80/1440553180.db2.gz PFFCKAALMQNBCH-CXOKCQFOSA-N 2 2 348.450 3.064 20 0 EGADLP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754326336 1440580829 /nfs/dbraw/zinc/58/08/29/1440580829.db2.gz IGNBSZKHYNPMKX-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP C[C@H](C[N@@H+](C)CCC1CCCCC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754326336 1440580830 /nfs/dbraw/zinc/58/08/30/1440580830.db2.gz IGNBSZKHYNPMKX-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001754526131 1440621136 /nfs/dbraw/zinc/62/11/36/1440621136.db2.gz GQJAILAXIKFOIQ-HNNXBMFYSA-N 2 2 348.450 3.105 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)c1ccc2ccccc2c1 ZINC001754536729 1440624914 /nfs/dbraw/zinc/62/49/14/1440624914.db2.gz AECODHMOEHCECH-MRXNPFEDSA-N 2 2 348.450 3.036 20 0 EGADLP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001754588170 1440640341 /nfs/dbraw/zinc/64/03/41/1440640341.db2.gz NHHSXFOUEHQMDB-IBGZPJMESA-N 2 2 345.531 3.258 20 0 EGADLP CCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001754599149 1440642077 /nfs/dbraw/zinc/64/20/77/1440642077.db2.gz YRYBURGINOFOGV-GDBMZVCRSA-N 2 2 328.460 3.336 20 0 EGADLP CC[C@H](F)C[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754700254 1440667829 /nfs/dbraw/zinc/66/78/29/1440667829.db2.gz CRKRFOFWEIZQQL-LPHOPBHVSA-N 2 2 335.467 3.197 20 0 EGADLP CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001754706661 1440669256 /nfs/dbraw/zinc/66/92/56/1440669256.db2.gz DRGMAPCLZGXDMM-QFBILLFUSA-N 2 2 334.508 3.099 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001754982773 1440721632 /nfs/dbraw/zinc/72/16/32/1440721632.db2.gz ORRCOOVKLXDIIL-ONEGZZNKSA-N 2 2 326.444 3.161 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001755047699 1440742146 /nfs/dbraw/zinc/74/21/46/1440742146.db2.gz PCXOMGYMQQKUHN-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001755047699 1440742147 /nfs/dbraw/zinc/74/21/47/1440742147.db2.gz PCXOMGYMQQKUHN-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCCCCF ZINC001755159580 1440764308 /nfs/dbraw/zinc/76/43/08/1440764308.db2.gz BTGYNUQGBOSAAM-JKSUJKDBSA-N 2 2 346.450 3.057 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCCCCF ZINC001755159580 1440764309 /nfs/dbraw/zinc/76/43/09/1440764309.db2.gz BTGYNUQGBOSAAM-JKSUJKDBSA-N 2 2 346.450 3.057 20 0 EGADLP C[C@@H](CC(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001755218728 1440784368 /nfs/dbraw/zinc/78/43/68/1440784368.db2.gz WWXYEYPBZXIEFX-GTPINHCMSA-N 2 2 334.508 3.145 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)C/C=C\c1ccccc1 ZINC001755308751 1440812422 /nfs/dbraw/zinc/81/24/22/1440812422.db2.gz YRAKENSLSIUTCG-JEZWAEDTSA-N 2 2 348.450 3.098 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)C/C=C\c1ccccc1 ZINC001755308751 1440812423 /nfs/dbraw/zinc/81/24/23/1440812423.db2.gz YRAKENSLSIUTCG-JEZWAEDTSA-N 2 2 348.450 3.098 20 0 EGADLP C[C@H](CC(=O)NC1(C[NH2+]CC2CCC2)CCCCC1)n1cc[nH+]c1 ZINC001755353977 1440828686 /nfs/dbraw/zinc/82/86/86/1440828686.db2.gz CZQMEUIZLPDTEL-MRXNPFEDSA-N 2 2 332.492 3.043 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001755657341 1440892201 /nfs/dbraw/zinc/89/22/01/1440892201.db2.gz BYWPQAJQBLZTPS-JOGGYFKDSA-N 2 2 340.471 3.273 20 0 EGADLP COc1ccc(C[C@@H](C)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000368487131 168362987 /nfs/dbraw/zinc/36/29/87/168362987.db2.gz HKHJCRPOIRYMMR-CQSZACIVSA-N 2 2 331.435 3.336 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530560 168369124 /nfs/dbraw/zinc/36/91/24/168369124.db2.gz NLRVELWZHQJGAW-QUCCMNQESA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530560 168369125 /nfs/dbraw/zinc/36/91/25/168369125.db2.gz NLRVELWZHQJGAW-QUCCMNQESA-N 2 2 326.488 3.373 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531158 168369233 /nfs/dbraw/zinc/36/92/33/168369233.db2.gz TYYMLWXISNIQDK-CTNGQTDRSA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531158 168369234 /nfs/dbraw/zinc/36/92/34/168369234.db2.gz TYYMLWXISNIQDK-CTNGQTDRSA-N 2 2 338.499 3.373 20 0 EGADLP c1csc([C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)[NH+]2CCCC2)c1 ZINC000023257950 202101960 /nfs/dbraw/zinc/10/19/60/202101960.db2.gz MIYPTMJUVQQMCX-MRXNPFEDSA-N 2 2 344.480 3.446 20 0 EGADLP C[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000187299127 236171879 /nfs/dbraw/zinc/17/18/79/236171879.db2.gz XIBMSTOLRDDUDM-ZLIFDBKOSA-N 2 2 337.826 3.292 20 0 EGADLP C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000187299127 236171880 /nfs/dbraw/zinc/17/18/80/236171880.db2.gz XIBMSTOLRDDUDM-ZLIFDBKOSA-N 2 2 337.826 3.292 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000032717261 202231464 /nfs/dbraw/zinc/23/14/64/202231464.db2.gz FADVUGQTYMGUJH-UHFFFAOYSA-N 2 2 328.435 3.370 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775872 291145337 /nfs/dbraw/zinc/14/53/37/291145337.db2.gz VTUWREHBNUHQLY-FXAWDEMLSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775872 291145338 /nfs/dbraw/zinc/14/53/38/291145338.db2.gz VTUWREHBNUHQLY-FXAWDEMLSA-N 3 2 327.516 3.256 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CC[NH2+]C(C)(C)C)cc1Br ZINC000230971754 201045706 /nfs/dbraw/zinc/04/57/06/201045706.db2.gz UNDLXJXCRVGXLC-LLVKDONJSA-N 2 2 329.282 3.496 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(Cl)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272556640 201251599 /nfs/dbraw/zinc/25/15/99/201251599.db2.gz TXLTWHASRGDUGO-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(Cl)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272556640 201251603 /nfs/dbraw/zinc/25/16/03/201251603.db2.gz TXLTWHASRGDUGO-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000278399875 201309928 /nfs/dbraw/zinc/30/99/28/201309928.db2.gz FOOGPXRWGUTJHD-AGUYFDCRSA-N 2 2 339.277 3.173 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000278399875 201309932 /nfs/dbraw/zinc/30/99/32/201309932.db2.gz FOOGPXRWGUTJHD-AGUYFDCRSA-N 2 2 339.277 3.173 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000293138417 201344038 /nfs/dbraw/zinc/34/40/38/201344038.db2.gz ZORJKDKGTPUDJM-QAPCUYQASA-N 2 2 348.441 3.291 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000293138417 201344039 /nfs/dbraw/zinc/34/40/39/201344039.db2.gz ZORJKDKGTPUDJM-QAPCUYQASA-N 2 2 348.441 3.291 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000294107572 201345018 /nfs/dbraw/zinc/34/50/18/201345018.db2.gz COESXAVIRXTFLD-CJNGLKHVSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1Cl ZINC000294107572 201345021 /nfs/dbraw/zinc/34/50/21/201345021.db2.gz COESXAVIRXTFLD-CJNGLKHVSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1Cl ZINC000294107572 201345025 /nfs/dbraw/zinc/34/50/25/201345025.db2.gz COESXAVIRXTFLD-CJNGLKHVSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000294107572 201345029 /nfs/dbraw/zinc/34/50/29/201345029.db2.gz COESXAVIRXTFLD-CJNGLKHVSA-N 2 2 336.863 3.043 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000299366977 201351457 /nfs/dbraw/zinc/35/14/57/201351457.db2.gz PYNPASIODYOMFE-IERDGZPVSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000299366977 201351460 /nfs/dbraw/zinc/35/14/60/201351460.db2.gz PYNPASIODYOMFE-IERDGZPVSA-N 2 2 339.483 3.399 20 0 EGADLP FC1(F)CCC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000677752057 549326334 /nfs/dbraw/zinc/32/63/34/549326334.db2.gz IBUOPJJCBMRCMR-UHFFFAOYSA-N 2 2 330.463 3.437 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837550 239328223 /nfs/dbraw/zinc/32/82/23/239328223.db2.gz TXLCLIPCDBQXNN-WIYYLYMNSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837550 239328227 /nfs/dbraw/zinc/32/82/27/239328227.db2.gz TXLCLIPCDBQXNN-WIYYLYMNSA-N 2 2 339.483 3.332 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376718042 242070988 /nfs/dbraw/zinc/07/09/88/242070988.db2.gz VGRDENOXQXOPDJ-UHFFFAOYSA-N 2 2 325.391 3.038 20 0 EGADLP C[C@H]([NH3+])C1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000230319699 242257550 /nfs/dbraw/zinc/25/75/50/242257550.db2.gz CGINUCJAUWYSRP-VIFPVBQESA-N 2 2 333.220 3.287 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000072726280 203243651 /nfs/dbraw/zinc/24/36/51/203243651.db2.gz IZXGBIBJPNJISR-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000075836309 203324299 /nfs/dbraw/zinc/32/42/99/203324299.db2.gz JVTDBQRFEQMSGR-OAHLLOKOSA-N 2 2 334.435 3.000 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)COCO2 ZINC000075836309 203324303 /nfs/dbraw/zinc/32/43/03/203324303.db2.gz JVTDBQRFEQMSGR-OAHLLOKOSA-N 2 2 334.435 3.000 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000358151810 296145851 /nfs/dbraw/zinc/14/58/51/296145851.db2.gz GRPJSFJYSMJYEQ-UONOGXRCSA-N 2 2 330.394 3.467 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccon1 ZINC000077285657 203377016 /nfs/dbraw/zinc/37/70/16/203377016.db2.gz GYTRACBSYHCWKU-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccon1 ZINC000077285657 203377021 /nfs/dbraw/zinc/37/70/21/203377021.db2.gz GYTRACBSYHCWKU-UHFFFAOYSA-N 2 2 340.427 3.362 20 0 EGADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000262657995 245104975 /nfs/dbraw/zinc/10/49/75/245104975.db2.gz MVKMXNXOTQTWRA-QZTJIDSGSA-N 2 2 345.874 3.067 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000111229463 204343252 /nfs/dbraw/zinc/34/32/52/204343252.db2.gz XAYWVNHVHJOWDA-KRWDZBQOSA-N 2 2 336.439 3.124 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000111229463 204343256 /nfs/dbraw/zinc/34/32/56/204343256.db2.gz XAYWVNHVHJOWDA-KRWDZBQOSA-N 2 2 336.439 3.124 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000127823550 205119222 /nfs/dbraw/zinc/11/92/22/205119222.db2.gz OLLTYRXSVOKLPQ-MRXNPFEDSA-N 3 2 333.495 3.077 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000130764932 205255692 /nfs/dbraw/zinc/25/56/92/205255692.db2.gz ZJYOVSKSOUNZBG-UHFFFAOYSA-N 2 2 326.488 3.354 20 0 EGADLP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000130958835 205268495 /nfs/dbraw/zinc/26/84/95/205268495.db2.gz UZYAABDVAJWTRR-KRWDZBQOSA-N 2 2 338.411 3.344 20 0 EGADLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000130958835 205268500 /nfs/dbraw/zinc/26/85/00/205268500.db2.gz UZYAABDVAJWTRR-KRWDZBQOSA-N 2 2 338.411 3.344 20 0 EGADLP OCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000131270437 205280567 /nfs/dbraw/zinc/28/05/67/205280567.db2.gz HRQVQPHGNPTKGQ-UHFFFAOYSA-N 2 2 328.243 3.075 20 0 EGADLP OCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000131270437 205280571 /nfs/dbraw/zinc/28/05/71/205280571.db2.gz HRQVQPHGNPTKGQ-UHFFFAOYSA-N 2 2 328.243 3.075 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472294 206080870 /nfs/dbraw/zinc/08/08/70/206080870.db2.gz WPADTXWEJGWDMR-DCGLDWPTSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472294 206080876 /nfs/dbraw/zinc/08/08/76/206080876.db2.gz WPADTXWEJGWDMR-DCGLDWPTSA-N 2 2 348.397 3.071 20 0 EGADLP Cn1cc(CCC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000158304029 206183598 /nfs/dbraw/zinc/18/35/98/206183598.db2.gz MTEUPKBKTLKKHW-UHFFFAOYSA-N 2 2 346.906 3.260 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158814121 206211118 /nfs/dbraw/zinc/21/11/18/206211118.db2.gz HNYGBNGLKWSOFF-CGTJXYLNSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158814121 206211123 /nfs/dbraw/zinc/21/11/23/206211123.db2.gz HNYGBNGLKWSOFF-CGTJXYLNSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158814121 206211126 /nfs/dbraw/zinc/21/11/26/206211126.db2.gz HNYGBNGLKWSOFF-CGTJXYLNSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158814121 206211129 /nfs/dbraw/zinc/21/11/29/206211129.db2.gz HNYGBNGLKWSOFF-CGTJXYLNSA-N 2 2 340.471 3.138 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000159122025 206226681 /nfs/dbraw/zinc/22/66/81/206226681.db2.gz VOVBSDIEUOEZMY-LBPRGKRZSA-N 2 2 330.394 3.255 20 0 EGADLP c1cc2[nH+]ccc(N3CCC[N@@H+](Cc4cscn4)CC3)c2s1 ZINC000266392293 248278760 /nfs/dbraw/zinc/27/87/60/248278760.db2.gz OHMQASHDJZYOTH-UHFFFAOYSA-N 2 2 330.482 3.465 20 0 EGADLP c1cc2[nH+]ccc(N3CCC[N@H+](Cc4cscn4)CC3)c2s1 ZINC000266392293 248278764 /nfs/dbraw/zinc/27/87/64/248278764.db2.gz OHMQASHDJZYOTH-UHFFFAOYSA-N 2 2 330.482 3.465 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000377650898 169054349 /nfs/dbraw/zinc/05/43/49/169054349.db2.gz OIXUYNZJMHYVBI-UHFFFAOYSA-N 2 2 347.466 3.021 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000377650898 169054351 /nfs/dbraw/zinc/05/43/51/169054351.db2.gz OIXUYNZJMHYVBI-UHFFFAOYSA-N 2 2 347.466 3.021 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)cn2)c[nH+]1 ZINC000177313838 207320356 /nfs/dbraw/zinc/32/03/56/207320356.db2.gz YRQUKYHOXDYWRT-HXUWFJFHSA-N 2 2 348.450 3.306 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)cn2)c[nH+]1 ZINC000177313838 207320360 /nfs/dbraw/zinc/32/03/60/207320360.db2.gz YRQUKYHOXDYWRT-HXUWFJFHSA-N 2 2 348.450 3.306 20 0 EGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268831490 252280115 /nfs/dbraw/zinc/28/01/15/252280115.db2.gz KLXVJIHYIKBNLQ-CQSZACIVSA-N 2 2 340.895 3.236 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000339542377 533411473 /nfs/dbraw/zinc/41/14/73/533411473.db2.gz CLVHKQYSIARBCG-MKRMIXIUSA-N 2 2 336.479 3.099 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000339542377 533411478 /nfs/dbraw/zinc/41/14/78/533411478.db2.gz CLVHKQYSIARBCG-MKRMIXIUSA-N 2 2 336.479 3.099 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246891446 141041113 /nfs/dbraw/zinc/04/11/13/141041113.db2.gz BMPQDUYEZNMJGS-FUHWJXTLSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246891446 141041115 /nfs/dbraw/zinc/04/11/15/141041115.db2.gz BMPQDUYEZNMJGS-FUHWJXTLSA-N 2 2 347.478 3.411 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820624 141061846 /nfs/dbraw/zinc/06/18/46/141061846.db2.gz OUUWGJOVLCUFMS-CVEARBPZSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820624 141061849 /nfs/dbraw/zinc/06/18/49/141061849.db2.gz OUUWGJOVLCUFMS-CVEARBPZSA-N 2 2 337.423 3.231 20 0 EGADLP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337896831 141070601 /nfs/dbraw/zinc/07/06/01/141070601.db2.gz MAUKIFOSEPTQHU-CTNGQTDRSA-N 2 2 337.467 3.141 20 0 EGADLP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337896831 141070602 /nfs/dbraw/zinc/07/06/02/141070602.db2.gz MAUKIFOSEPTQHU-CTNGQTDRSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337896831 141070603 /nfs/dbraw/zinc/07/06/03/141070603.db2.gz MAUKIFOSEPTQHU-CTNGQTDRSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337896831 141070604 /nfs/dbraw/zinc/07/06/04/141070604.db2.gz MAUKIFOSEPTQHU-CTNGQTDRSA-N 2 2 337.467 3.141 20 0 EGADLP CC[C@H](C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542639 141128106 /nfs/dbraw/zinc/12/81/06/141128106.db2.gz GXHQYJCIIWTHLG-GCJKJVERSA-N 2 2 338.495 3.189 20 0 EGADLP CC[C@H](C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542639 141128107 /nfs/dbraw/zinc/12/81/07/141128107.db2.gz GXHQYJCIIWTHLG-GCJKJVERSA-N 2 2 338.495 3.189 20 0 EGADLP Cc1c[nH+]c(CNC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)n1C ZINC000341261740 141146567 /nfs/dbraw/zinc/14/65/67/141146567.db2.gz QKCVWRIYOHJHQH-OAHLLOKOSA-N 2 2 340.393 3.140 20 0 EGADLP c1ccc(Oc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nn2)cc1 ZINC000346284833 141191812 /nfs/dbraw/zinc/19/18/12/141191812.db2.gz YEUXSIAAHJICDV-KRWDZBQOSA-N 2 2 338.455 3.187 20 0 EGADLP c1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)nn2)cc1 ZINC000346284833 141191814 /nfs/dbraw/zinc/19/18/14/141191814.db2.gz YEUXSIAAHJICDV-KRWDZBQOSA-N 2 2 338.455 3.187 20 0 EGADLP CCCCN(CC)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346484084 141204353 /nfs/dbraw/zinc/20/43/53/141204353.db2.gz FDHYEOXZDXFTHL-MRXNPFEDSA-N 2 2 328.460 3.172 20 0 EGADLP COC(=O)C[N@H+](CCCc1ccc(C)[nH+]c1)CCc1ccccc1 ZINC000354565554 141307146 /nfs/dbraw/zinc/30/71/46/141307146.db2.gz GUVOTASKIANMCK-UHFFFAOYSA-N 2 2 326.440 3.040 20 0 EGADLP COC(=O)C[N@@H+](CCCc1ccc(C)[nH+]c1)CCc1ccccc1 ZINC000354565554 141307147 /nfs/dbraw/zinc/30/71/47/141307147.db2.gz GUVOTASKIANMCK-UHFFFAOYSA-N 2 2 326.440 3.040 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000356813801 141347145 /nfs/dbraw/zinc/34/71/45/141347145.db2.gz QTTFYKHCRNZHDA-HNNXBMFYSA-N 2 2 327.428 3.332 20 0 EGADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000356813801 141347147 /nfs/dbraw/zinc/34/71/47/141347147.db2.gz QTTFYKHCRNZHDA-HNNXBMFYSA-N 2 2 327.428 3.332 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000359626505 141390642 /nfs/dbraw/zinc/39/06/42/141390642.db2.gz AHIXYFPRUMWMRI-MRXNPFEDSA-N 2 2 341.503 3.409 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000183704012 144077626 /nfs/dbraw/zinc/07/76/26/144077626.db2.gz GIDVGMWJWNNVIC-OAHLLOKOSA-N 2 2 329.444 3.141 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734526 144217232 /nfs/dbraw/zinc/21/72/32/144217232.db2.gz XUJAWTMOEPQKSZ-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734526 144217234 /nfs/dbraw/zinc/21/72/34/144217234.db2.gz XUJAWTMOEPQKSZ-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000344741103 144218719 /nfs/dbraw/zinc/21/87/19/144218719.db2.gz HLPJFAFDVBORNU-INIZCTEOSA-N 2 2 334.504 3.192 20 0 EGADLP COc1cc(F)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000344905688 144240884 /nfs/dbraw/zinc/24/08/84/144240884.db2.gz ROXSVLGWBKVSDK-UHFFFAOYSA-N 2 2 329.350 3.449 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574180 144282534 /nfs/dbraw/zinc/28/25/34/144282534.db2.gz NIBWMWVYNVLMIF-MWLCHTKSSA-N 2 2 335.250 3.238 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574180 144282536 /nfs/dbraw/zinc/28/25/36/144282536.db2.gz NIBWMWVYNVLMIF-MWLCHTKSSA-N 2 2 335.250 3.238 20 0 EGADLP Cc1cccn2c(CN3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c12 ZINC000352287617 144323278 /nfs/dbraw/zinc/32/32/78/144323278.db2.gz PVJQUSKVSNTLSO-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1cccn2c(CN3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c12 ZINC000352287617 144323280 /nfs/dbraw/zinc/32/32/80/144323280.db2.gz PVJQUSKVSNTLSO-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000361576544 144331107 /nfs/dbraw/zinc/33/11/07/144331107.db2.gz HCHBAYUENNSBQM-FQEVSTJZSA-N 2 2 344.547 3.482 20 0 EGADLP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000361576544 144331108 /nfs/dbraw/zinc/33/11/08/144331108.db2.gz HCHBAYUENNSBQM-FQEVSTJZSA-N 2 2 344.547 3.482 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000341078284 155144931 /nfs/dbraw/zinc/14/49/31/155144931.db2.gz NBBRNBKOIKOPCQ-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000341078284 155144937 /nfs/dbraw/zinc/14/49/37/155144937.db2.gz NBBRNBKOIKOPCQ-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000341078284 155144939 /nfs/dbraw/zinc/14/49/39/155144939.db2.gz NBBRNBKOIKOPCQ-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000341078284 155144944 /nfs/dbraw/zinc/14/49/44/155144944.db2.gz NBBRNBKOIKOPCQ-CALCHBBNSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CNC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)n1C ZINC000341117611 155169520 /nfs/dbraw/zinc/16/95/20/155169520.db2.gz DCHQQVGTDIFSCL-LJQANCHMSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(C2CC2)[nH+]1 ZINC000341448003 155297625 /nfs/dbraw/zinc/29/76/25/155297625.db2.gz CVWPBOVJCRYCTD-HNNXBMFYSA-N 2 2 342.512 3.470 20 0 EGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(C2CC2)[nH+]1 ZINC000341448003 155297628 /nfs/dbraw/zinc/29/76/28/155297628.db2.gz CVWPBOVJCRYCTD-HNNXBMFYSA-N 2 2 342.512 3.470 20 0 EGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)cc1F ZINC000116396531 152057482 /nfs/dbraw/zinc/05/74/82/152057482.db2.gz LAAOXFDOIMVLAL-MLGOLLRUSA-N 2 2 341.446 3.248 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[NH+]3CCC(C)CC3)CC2)n1 ZINC000119014730 152167292 /nfs/dbraw/zinc/16/72/92/152167292.db2.gz ZWPZPZDEWQGYNI-MRXNPFEDSA-N 2 2 336.549 3.130 20 0 EGADLP C[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)Oc1ccccc1 ZINC000119037086 152168695 /nfs/dbraw/zinc/16/86/95/152168695.db2.gz YFIMOOYRFAWGIV-CQSZACIVSA-N 2 2 346.394 3.090 20 0 EGADLP C[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)Oc1ccccc1 ZINC000119036981 152169060 /nfs/dbraw/zinc/16/90/60/152169060.db2.gz YFIMOOYRFAWGIV-AWEZNQCLSA-N 2 2 346.394 3.090 20 0 EGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121370531 152346210 /nfs/dbraw/zinc/34/62/10/152346210.db2.gz QGTNRLQIROIKQY-MRXNPFEDSA-N 2 2 325.456 3.367 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000190726265 153156588 /nfs/dbraw/zinc/15/65/88/153156588.db2.gz GAOFAYJHYLXPLL-UHFFFAOYSA-N 2 2 346.478 3.410 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)n1 ZINC000190726265 153156590 /nfs/dbraw/zinc/15/65/90/153156590.db2.gz GAOFAYJHYLXPLL-UHFFFAOYSA-N 2 2 346.478 3.410 20 0 EGADLP Cc1noc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000191959137 153235965 /nfs/dbraw/zinc/23/59/65/153235965.db2.gz ZRXXMXGLWPNLIQ-KRWDZBQOSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)C2)n1 ZINC000191959137 153235968 /nfs/dbraw/zinc/23/59/68/153235968.db2.gz ZRXXMXGLWPNLIQ-KRWDZBQOSA-N 2 2 337.427 3.252 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261561923 153680258 /nfs/dbraw/zinc/68/02/58/153680258.db2.gz GFNLPPQWQWIDJL-XLIONFOSSA-N 2 2 340.467 3.122 20 0 EGADLP O[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000305147620 154087184 /nfs/dbraw/zinc/08/71/84/154087184.db2.gz NUAGBJDCGSWKEL-APWZRJJASA-N 2 2 336.907 3.445 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191395 154088342 /nfs/dbraw/zinc/08/83/42/154088342.db2.gz YGPBLTOUBVXGHQ-UYAOXDASSA-N 2 2 345.531 3.215 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191395 154088347 /nfs/dbraw/zinc/08/83/47/154088347.db2.gz YGPBLTOUBVXGHQ-UYAOXDASSA-N 2 2 345.531 3.215 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808489 154164758 /nfs/dbraw/zinc/16/47/58/154164758.db2.gz QQKUHWDVAHHDRR-RCBQFDQVSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808489 154164760 /nfs/dbraw/zinc/16/47/60/154164760.db2.gz QQKUHWDVAHHDRR-RCBQFDQVSA-N 2 2 328.378 3.219 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000321678369 154168886 /nfs/dbraw/zinc/16/88/86/154168886.db2.gz TWUXLTWSTUFZKJ-QEJZJMRPSA-N 2 2 337.533 3.263 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000321678369 154168888 /nfs/dbraw/zinc/16/88/88/154168888.db2.gz TWUXLTWSTUFZKJ-QEJZJMRPSA-N 2 2 337.533 3.263 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336711386 154211854 /nfs/dbraw/zinc/21/18/54/154211854.db2.gz PUIPBLFOJGVSOA-PMACEKPBSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000336711386 154211856 /nfs/dbraw/zinc/21/18/56/154211856.db2.gz PUIPBLFOJGVSOA-PMACEKPBSA-N 2 2 326.488 3.162 20 0 EGADLP CCc1ccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000336723966 154211904 /nfs/dbraw/zinc/21/19/04/154211904.db2.gz HAHMJNVYURQGPJ-UHFFFAOYSA-N 2 2 325.456 3.039 20 0 EGADLP CCc1ccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000336723966 154211906 /nfs/dbraw/zinc/21/19/06/154211906.db2.gz HAHMJNVYURQGPJ-UHFFFAOYSA-N 2 2 325.456 3.039 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281084 154257705 /nfs/dbraw/zinc/25/77/05/154257705.db2.gz VYRQYXYEPJQRDC-QZTJIDSGSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281084 154257709 /nfs/dbraw/zinc/25/77/09/154257709.db2.gz VYRQYXYEPJQRDC-QZTJIDSGSA-N 2 2 345.531 3.232 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000337394886 154331857 /nfs/dbraw/zinc/33/18/57/154331857.db2.gz PAEPXSALBLCTGT-RVKKMQEKSA-N 2 2 332.488 3.016 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000337394886 154331861 /nfs/dbraw/zinc/33/18/61/154331861.db2.gz PAEPXSALBLCTGT-RVKKMQEKSA-N 2 2 332.488 3.016 20 0 EGADLP Cc1c[nH+]c(CNCC2([NH2+][C@H](C)c3ccccc3)CCCC2)n1C ZINC000341054361 155130686 /nfs/dbraw/zinc/13/06/86/155130686.db2.gz UHLDCYAQDISACH-QGZVFWFLSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000345507004 156130042 /nfs/dbraw/zinc/13/00/42/156130042.db2.gz MFRCWAULXUZWMN-CALCHBBNSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000346864293 156168242 /nfs/dbraw/zinc/16/82/42/156168242.db2.gz MQLNAHZUIXMOIM-MLYOOKFZSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000346864293 156168246 /nfs/dbraw/zinc/16/82/46/156168246.db2.gz MQLNAHZUIXMOIM-MLYOOKFZSA-N 2 2 331.504 3.087 20 0 EGADLP CC(C)c1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000346904235 156190674 /nfs/dbraw/zinc/19/06/74/156190674.db2.gz LJCCEQNYFOQNMZ-OAHLLOKOSA-N 2 2 330.501 3.408 20 0 EGADLP CC(C)c1nc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000346904235 156190675 /nfs/dbraw/zinc/19/06/75/156190675.db2.gz LJCCEQNYFOQNMZ-OAHLLOKOSA-N 2 2 330.501 3.408 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCC2 ZINC000376847297 286537532 /nfs/dbraw/zinc/53/75/32/286537532.db2.gz VXWIDSKEGNNPDJ-GJZGRUSLSA-N 2 2 334.426 3.341 20 0 EGADLP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)s2)o1 ZINC000349123953 156360882 /nfs/dbraw/zinc/36/08/82/156360882.db2.gz ABZZJLKSDCSFNM-ZDUSSCGKSA-N 2 2 328.441 3.435 20 0 EGADLP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)s2)o1 ZINC000349123953 156360885 /nfs/dbraw/zinc/36/08/85/156360885.db2.gz ABZZJLKSDCSFNM-ZDUSSCGKSA-N 2 2 328.441 3.435 20 0 EGADLP Cc1ccc(CCC[NH2+]CCOc2ncccc2C(F)(F)F)c[nH+]1 ZINC000354542927 156570771 /nfs/dbraw/zinc/57/07/71/156570771.db2.gz FHGLAPGRFBNDRJ-UHFFFAOYSA-N 2 2 339.361 3.405 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601403 157237219 /nfs/dbraw/zinc/23/72/19/157237219.db2.gz GLZNIJFDOOLWKD-AZUAARDMSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000368601403 157237224 /nfs/dbraw/zinc/23/72/24/157237224.db2.gz GLZNIJFDOOLWKD-AZUAARDMSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563701 162015778 /nfs/dbraw/zinc/01/57/78/162015778.db2.gz VZTJDUUAXAXVLY-QGZVFWFLSA-N 2 2 328.460 3.428 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563701 162015780 /nfs/dbraw/zinc/01/57/80/162015780.db2.gz VZTJDUUAXAXVLY-QGZVFWFLSA-N 2 2 328.460 3.428 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793415 162111369 /nfs/dbraw/zinc/11/13/69/162111369.db2.gz RJMADWOVWXVUFG-CQSZACIVSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793411 162111697 /nfs/dbraw/zinc/11/16/97/162111697.db2.gz RJMADWOVWXVUFG-AWEZNQCLSA-N 2 2 344.484 3.269 20 0 EGADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3cc[nH+]c(C)c3)CC2)cs1 ZINC000112298626 162171071 /nfs/dbraw/zinc/17/10/71/162171071.db2.gz YEGFAKPQOXSXMJ-UHFFFAOYSA-N 2 2 330.457 3.006 20 0 EGADLP Cn1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413314 162302615 /nfs/dbraw/zinc/30/26/15/162302615.db2.gz FQMZLOUNRCEACR-ZDUSSCGKSA-N 2 2 326.227 3.380 20 0 EGADLP Cn1c[nH+]cc1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126413314 162302620 /nfs/dbraw/zinc/30/26/20/162302620.db2.gz FQMZLOUNRCEACR-ZDUSSCGKSA-N 2 2 326.227 3.380 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130997455 162387692 /nfs/dbraw/zinc/38/76/92/162387692.db2.gz FAFGLDGREQHVLQ-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000131330454 162397449 /nfs/dbraw/zinc/39/74/49/162397449.db2.gz HJZKTJHNGSBAIV-GOSISDBHSA-N 3 2 332.536 3.146 20 0 EGADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000248878596 163041708 /nfs/dbraw/zinc/04/17/08/163041708.db2.gz ORDDMGGWIGGCGG-JKSUJKDBSA-N 2 2 346.523 3.046 20 0 EGADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000248878596 163041710 /nfs/dbraw/zinc/04/17/10/163041710.db2.gz ORDDMGGWIGGCGG-JKSUJKDBSA-N 2 2 346.523 3.046 20 0 EGADLP CSC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305104196 163073173 /nfs/dbraw/zinc/07/31/73/163073173.db2.gz CGTAVSHGHHGWCM-QGZVFWFLSA-N 2 2 342.936 3.008 20 0 EGADLP COc1ccc(-n2ccc(C[NH2+]CCCc3ccc(C)[nH+]c3)n2)cc1 ZINC000354328995 166003857 /nfs/dbraw/zinc/00/38/57/166003857.db2.gz KOGSYNRQAMLIBW-UHFFFAOYSA-N 2 2 336.439 3.307 20 0 EGADLP C[C@@H]1CC(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000338777401 163346717 /nfs/dbraw/zinc/34/67/17/163346717.db2.gz ZJWSWDFHYBEFDY-IAGOWNOFSA-N 2 2 331.504 3.229 20 0 EGADLP CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682619 164011984 /nfs/dbraw/zinc/01/19/84/164011984.db2.gz ROHPHSYCLOICRM-MGPUTAFESA-N 2 2 341.455 3.278 20 0 EGADLP CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000343682619 164011986 /nfs/dbraw/zinc/01/19/86/164011986.db2.gz ROHPHSYCLOICRM-MGPUTAFESA-N 2 2 341.455 3.278 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727331 164021117 /nfs/dbraw/zinc/02/11/17/164021117.db2.gz STXWNPFGECFNKQ-ONZODILHSA-N 2 2 336.479 3.460 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000343727331 164021118 /nfs/dbraw/zinc/02/11/18/164021118.db2.gz STXWNPFGECFNKQ-ONZODILHSA-N 2 2 336.479 3.460 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000098143799 287036213 /nfs/dbraw/zinc/03/62/13/287036213.db2.gz YCDHQNMCEQFTPJ-PBHICJAKSA-N 2 2 344.421 3.449 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000343940353 164070261 /nfs/dbraw/zinc/07/02/61/164070261.db2.gz SAQAPEJCEMXGQH-SJORKVTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000343940353 164070263 /nfs/dbraw/zinc/07/02/63/164070263.db2.gz SAQAPEJCEMXGQH-SJORKVTESA-N 2 2 327.472 3.131 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@@H+]1C ZINC000344328190 164157697 /nfs/dbraw/zinc/15/76/97/164157697.db2.gz QSCBFUXNCSEHSZ-JXFKEZNVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@H+]1C ZINC000344328190 164157698 /nfs/dbraw/zinc/15/76/98/164157698.db2.gz QSCBFUXNCSEHSZ-JXFKEZNVSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3c1OCCCO3)CCC2 ZINC000344532886 164187717 /nfs/dbraw/zinc/18/77/17/164187717.db2.gz GOWNUTPZHTYVCP-MRXNPFEDSA-N 2 2 327.428 3.020 20 0 EGADLP CCn1ccnc1[C@@H]1OCCC[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354870198 166051772 /nfs/dbraw/zinc/05/17/72/166051772.db2.gz YTKSXDPBLJJKOW-ZWKOTPCHSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000352358133 165360628 /nfs/dbraw/zinc/36/06/28/165360628.db2.gz RYNMNIFINYTSLG-UHFFFAOYSA-N 2 2 330.403 3.451 20 0 EGADLP COC(=O)[C@@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000355124722 166113097 /nfs/dbraw/zinc/11/30/97/166113097.db2.gz PFUNRRXKWLPSKU-FQEVSTJZSA-N 2 2 326.440 3.043 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N(C)CC[N@H+](C)C3CCCCC3)cc2n1C ZINC000355261980 166149214 /nfs/dbraw/zinc/14/92/14/166149214.db2.gz QADPDZHEXKLCIB-UHFFFAOYSA-N 2 2 342.487 3.218 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N(C)CC[N@@H+](C)C3CCCCC3)cc2n1C ZINC000355261980 166149218 /nfs/dbraw/zinc/14/92/18/166149218.db2.gz QADPDZHEXKLCIB-UHFFFAOYSA-N 2 2 342.487 3.218 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000355350150 166171298 /nfs/dbraw/zinc/17/12/98/166171298.db2.gz YCUDGGWBBVWHAM-LJQANCHMSA-N 2 2 346.434 3.300 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000355350150 166171302 /nfs/dbraw/zinc/17/13/02/166171302.db2.gz YCUDGGWBBVWHAM-LJQANCHMSA-N 2 2 346.434 3.300 20 0 EGADLP COc1cccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000360426553 167326450 /nfs/dbraw/zinc/32/64/50/167326450.db2.gz GHKYNQAXQTVISQ-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360543658 167353533 /nfs/dbraw/zinc/35/35/33/167353533.db2.gz IHMVASOQFYKDLN-ZBEGNZNMSA-N 2 2 342.270 3.006 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360543658 167353535 /nfs/dbraw/zinc/35/35/35/167353535.db2.gz IHMVASOQFYKDLN-ZBEGNZNMSA-N 2 2 342.270 3.006 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436619 168224826 /nfs/dbraw/zinc/22/48/26/168224826.db2.gz GNRYQWPDGKTMBY-MJGOQNOKSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436619 168224828 /nfs/dbraw/zinc/22/48/28/168224828.db2.gz GNRYQWPDGKTMBY-MJGOQNOKSA-N 3 2 338.499 3.220 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437854 168225800 /nfs/dbraw/zinc/22/58/00/168225800.db2.gz JZGRYNVNUPLGEF-ZBFHGGJFSA-N 2 2 348.491 3.002 20 0 EGADLP c1c[nH]c([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CCCCC2)n1 ZINC000367629331 168252422 /nfs/dbraw/zinc/25/24/22/168252422.db2.gz BAJOJIXEWNQBKL-SFHVURJKSA-N 2 2 336.443 3.402 20 0 EGADLP C[C@H](CCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367697582 168259720 /nfs/dbraw/zinc/25/97/20/168259720.db2.gz LTTMCPBKVOAWPW-VOBGVNJCSA-N 2 2 349.563 3.409 20 0 EGADLP C[C@H](CCC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367697582 168259723 /nfs/dbraw/zinc/25/97/23/168259723.db2.gz LTTMCPBKVOAWPW-VOBGVNJCSA-N 2 2 349.563 3.409 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000367699231 168259916 /nfs/dbraw/zinc/25/99/16/168259916.db2.gz GSWXARVOQJOJDF-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000367699231 168259917 /nfs/dbraw/zinc/25/99/17/168259917.db2.gz GSWXARVOQJOJDF-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000367702110 168260359 /nfs/dbraw/zinc/26/03/59/168260359.db2.gz MFLZCTMTICREQI-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000367702110 168260362 /nfs/dbraw/zinc/26/03/62/168260362.db2.gz MFLZCTMTICREQI-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCC(C)(C)C)CC2)CC1 ZINC000367711702 168261327 /nfs/dbraw/zinc/26/13/27/168261327.db2.gz FANXUMHDMJTMCN-UHFFFAOYSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173948526 265014134 /nfs/dbraw/zinc/01/41/34/265014134.db2.gz LXUKWHAEBJNXLK-GGPKGHCWSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173948526 265014136 /nfs/dbraw/zinc/01/41/36/265014136.db2.gz LXUKWHAEBJNXLK-GGPKGHCWSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173948526 265014138 /nfs/dbraw/zinc/01/41/38/265014138.db2.gz LXUKWHAEBJNXLK-GGPKGHCWSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173948526 265014141 /nfs/dbraw/zinc/01/41/41/265014141.db2.gz LXUKWHAEBJNXLK-GGPKGHCWSA-N 2 2 345.531 3.101 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177927419 265288025 /nfs/dbraw/zinc/28/80/25/265288025.db2.gz NPCNSSNMAAMYAS-TZMCWYRMSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000177927419 265288030 /nfs/dbraw/zinc/28/80/30/265288030.db2.gz NPCNSSNMAAMYAS-TZMCWYRMSA-N 2 2 339.277 3.043 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193155245 266014777 /nfs/dbraw/zinc/01/47/77/266014777.db2.gz BHCCNTRJXRKOTD-LSDHHAIUSA-N 2 2 328.909 3.259 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193155233 266015037 /nfs/dbraw/zinc/01/50/37/266015037.db2.gz BHCCNTRJXRKOTD-HUUCEWRRSA-N 2 2 328.909 3.259 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000235145764 266207880 /nfs/dbraw/zinc/20/78/80/266207880.db2.gz OSUKHZWFPLZSIG-STQMWFEESA-N 2 2 325.294 3.452 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000235145764 266207881 /nfs/dbraw/zinc/20/78/81/266207881.db2.gz OSUKHZWFPLZSIG-STQMWFEESA-N 2 2 325.294 3.452 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000270481376 266517285 /nfs/dbraw/zinc/51/72/85/266517285.db2.gz KPGFQPPSZDMZKC-KFKAGJAMSA-N 2 2 325.456 3.282 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1nccs1 ZINC000272208365 266792701 /nfs/dbraw/zinc/79/27/01/266792701.db2.gz KGBVJMVDJNYLKC-ZDUSSCGKSA-N 2 2 331.489 3.242 20 0 EGADLP C[C@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(F)cc1 ZINC000272621935 266883626 /nfs/dbraw/zinc/88/36/26/266883626.db2.gz YJSQWBGZEOQBEQ-INIZCTEOSA-N 2 2 348.384 3.040 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccn(C)c3)[nH+]c12 ZINC000273478219 267045868 /nfs/dbraw/zinc/04/58/68/267045868.db2.gz KRCCNGHDAWYPRM-UHFFFAOYSA-N 2 2 347.260 3.076 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ncc2F)CC1 ZINC000273907150 267138567 /nfs/dbraw/zinc/13/85/67/267138567.db2.gz WZHSLSDNTAFGEH-JTQLQIEISA-N 2 2 330.245 3.118 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278468908 268020113 /nfs/dbraw/zinc/02/01/13/268020113.db2.gz NNFIHDJLTVEBGN-QFBILLFUSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000278468908 268020117 /nfs/dbraw/zinc/02/01/17/268020117.db2.gz NNFIHDJLTVEBGN-QFBILLFUSA-N 2 2 329.488 3.035 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424474 274032994 /nfs/dbraw/zinc/03/29/94/274032994.db2.gz QYEMUMRYRGEURV-JKSUJKDBSA-N 2 2 330.394 3.033 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424474 274032995 /nfs/dbraw/zinc/03/29/95/274032995.db2.gz QYEMUMRYRGEURV-JKSUJKDBSA-N 2 2 330.394 3.033 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)c(C)n2n1 ZINC000371451913 274730602 /nfs/dbraw/zinc/73/06/02/274730602.db2.gz TWMGQSARGADMBR-HOCLYGCPSA-N 2 2 338.459 3.079 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385083 275029391 /nfs/dbraw/zinc/02/93/91/275029391.db2.gz BIGXQDVXTQBEJW-CZUORRHYSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385083 275029392 /nfs/dbraw/zinc/02/93/92/275029392.db2.gz BIGXQDVXTQBEJW-CZUORRHYSA-N 2 2 344.846 3.048 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013694409 275120990 /nfs/dbraw/zinc/12/09/90/275120990.db2.gz OCRXKMHMAKHPPZ-UHFFFAOYSA-N 2 2 325.243 3.049 20 0 EGADLP C[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589801 275257064 /nfs/dbraw/zinc/25/70/64/275257064.db2.gz KYJOVBGMWODNCX-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589801 275257065 /nfs/dbraw/zinc/25/70/65/275257065.db2.gz KYJOVBGMWODNCX-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccncc1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278589801 275257066 /nfs/dbraw/zinc/25/70/66/275257066.db2.gz KYJOVBGMWODNCX-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1ccncc1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278589801 275257067 /nfs/dbraw/zinc/25/70/67/275257067.db2.gz KYJOVBGMWODNCX-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1OC(F)F ZINC000278722582 275268838 /nfs/dbraw/zinc/26/88/38/275268838.db2.gz MIFXZNSJGFYXTL-AGUYFDCRSA-N 2 2 326.387 3.011 20 0 EGADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC(F)F ZINC000278722582 275268839 /nfs/dbraw/zinc/26/88/39/275268839.db2.gz MIFXZNSJGFYXTL-AGUYFDCRSA-N 2 2 326.387 3.011 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2n1 ZINC000278767791 275273076 /nfs/dbraw/zinc/27/30/76/275273076.db2.gz XRZBZZLMMKGKLN-SJORKVTESA-N 2 2 327.472 3.386 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2ccccc2n1 ZINC000278767791 275273078 /nfs/dbraw/zinc/27/30/78/275273078.db2.gz XRZBZZLMMKGKLN-SJORKVTESA-N 2 2 327.472 3.386 20 0 EGADLP C[C@H](c1ccccn1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784186 275274502 /nfs/dbraw/zinc/27/45/02/275274502.db2.gz ZQUUDRXXJNWYNT-UYAOXDASSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784186 275274504 /nfs/dbraw/zinc/27/45/04/275274504.db2.gz ZQUUDRXXJNWYNT-UYAOXDASSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278784186 275274505 /nfs/dbraw/zinc/27/45/05/275274505.db2.gz ZQUUDRXXJNWYNT-UYAOXDASSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccccn1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278784186 275274507 /nfs/dbraw/zinc/27/45/07/275274507.db2.gz ZQUUDRXXJNWYNT-UYAOXDASSA-N 2 2 339.483 3.366 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)oc1C ZINC000278816347 275277495 /nfs/dbraw/zinc/27/74/95/275277495.db2.gz ZAHNYIRFQLTYBD-UHFFFAOYSA-N 2 2 344.411 3.121 20 0 EGADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2ncc(C(C)(C)C)s2)ccn1 ZINC000279105654 275304275 /nfs/dbraw/zinc/30/42/75/275304275.db2.gz JSMUEBORXLMIAE-UHFFFAOYSA-N 2 2 348.516 3.066 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CCO1 ZINC000279109832 275304487 /nfs/dbraw/zinc/30/44/87/275304487.db2.gz KEBSUBRWFKRFNN-GXTWGEPZSA-N 2 2 334.489 3.184 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000285587203 275892659 /nfs/dbraw/zinc/89/26/59/275892659.db2.gz XGQCWAMOXAWHDO-ZDUSSCGKSA-N 2 2 349.360 3.266 20 0 EGADLP COc1ccc(C[NH2+]CCc2cc[nH+]cc2C)c(Br)c1 ZINC000286492932 276007622 /nfs/dbraw/zinc/00/76/22/276007622.db2.gz LZOJKTQHHIQPAG-UHFFFAOYSA-N 2 2 335.245 3.493 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1nncn1C ZINC000287372064 276113090 /nfs/dbraw/zinc/11/30/90/276113090.db2.gz ZFBGUSIGLNCCND-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1nncn1C ZINC000287372064 276113091 /nfs/dbraw/zinc/11/30/91/276113091.db2.gz ZFBGUSIGLNCCND-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287488239 276124374 /nfs/dbraw/zinc/12/43/74/276124374.db2.gz SQUWHJCMPGYHLH-JKSUJKDBSA-N 2 2 345.447 3.043 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287488239 276124375 /nfs/dbraw/zinc/12/43/75/276124375.db2.gz SQUWHJCMPGYHLH-JKSUJKDBSA-N 2 2 345.447 3.043 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540486 276130604 /nfs/dbraw/zinc/13/06/04/276130604.db2.gz PHNFFZVSDOCKEM-UWVAXJGDSA-N 2 2 339.483 3.479 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540486 276130605 /nfs/dbraw/zinc/13/06/05/276130605.db2.gz PHNFFZVSDOCKEM-UWVAXJGDSA-N 2 2 339.483 3.479 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000288352483 276205190 /nfs/dbraw/zinc/20/51/90/276205190.db2.gz CGBUAQZCQKIEAA-IERDGZPVSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000288352483 276205191 /nfs/dbraw/zinc/20/51/91/276205191.db2.gz CGBUAQZCQKIEAA-IERDGZPVSA-N 2 2 337.467 3.398 20 0 EGADLP COc1ccc2[nH]cc(C3CC[NH+](CCc4c[nH+]cn4C)CC3)c2c1 ZINC000289010824 276278254 /nfs/dbraw/zinc/27/82/54/276278254.db2.gz ABMIXDVYQIDGSN-UHFFFAOYSA-N 2 2 338.455 3.332 20 0 EGADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000289349215 276325813 /nfs/dbraw/zinc/32/58/13/276325813.db2.gz IXICKHAOHUXQOQ-MRXNPFEDSA-N 2 2 346.496 3.467 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289357002 276327024 /nfs/dbraw/zinc/32/70/24/276327024.db2.gz YFPZZHOQJKGNPY-LBPRGKRZSA-N 2 2 330.457 3.034 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000289508807 276350147 /nfs/dbraw/zinc/35/01/47/276350147.db2.gz FEPDSJRZKJKAOJ-DOTOQJQBSA-N 2 2 333.501 3.392 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000289508807 276350149 /nfs/dbraw/zinc/35/01/49/276350149.db2.gz FEPDSJRZKJKAOJ-DOTOQJQBSA-N 2 2 333.501 3.392 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000342786794 276355507 /nfs/dbraw/zinc/35/55/07/276355507.db2.gz UFCUCEGAFAMTGM-HKUYNNGSSA-N 2 2 326.488 3.386 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000342786794 276355508 /nfs/dbraw/zinc/35/55/08/276355508.db2.gz UFCUCEGAFAMTGM-HKUYNNGSSA-N 2 2 326.488 3.386 20 0 EGADLP Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)no1 ZINC000289786738 276394378 /nfs/dbraw/zinc/39/43/78/276394378.db2.gz OFQKOBZGVABDID-HUUCEWRRSA-N 2 2 346.450 3.286 20 0 EGADLP C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290313312 276478749 /nfs/dbraw/zinc/47/87/49/276478749.db2.gz NVHSRVBYANNOSY-ADLFWFRXSA-N 2 2 335.407 3.018 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)c1cn(-c2ccccc2)nn1 ZINC000290514995 276505498 /nfs/dbraw/zinc/50/54/98/276505498.db2.gz XGADUUONVRUKFZ-UHFFFAOYSA-N 2 2 335.455 3.428 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369949578 277202631 /nfs/dbraw/zinc/20/26/31/277202631.db2.gz YBSLKHBEBIZRBZ-USXIJHARSA-N 2 2 337.508 3.039 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369949578 277202632 /nfs/dbraw/zinc/20/26/32/277202632.db2.gz YBSLKHBEBIZRBZ-USXIJHARSA-N 2 2 337.508 3.039 20 0 EGADLP COC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1 ZINC000353392457 277596741 /nfs/dbraw/zinc/59/67/41/277596741.db2.gz ZNXVZTDOWGUGGT-RKVPGOIHSA-N 2 2 340.895 3.116 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000151876224 278253824 /nfs/dbraw/zinc/25/38/24/278253824.db2.gz OPWWWVRHVVMLSF-BQJIDLTASA-N 2 2 341.499 3.283 20 0 EGADLP CC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000359590647 288048763 /nfs/dbraw/zinc/04/87/63/288048763.db2.gz IXHJIUZPEBWMOK-YSIASYRMSA-N 2 2 332.488 3.237 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000326441554 280270991 /nfs/dbraw/zinc/27/09/91/280270991.db2.gz WPEIYHNNNRSEOQ-VQTJNVASSA-N 2 2 326.488 3.334 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000180716516 289380301 /nfs/dbraw/zinc/38/03/01/289380301.db2.gz JBEYWMAYBHFQRW-FHWLQOOXSA-N 2 2 330.451 3.111 20 0 EGADLP CCCCn1c(SCc2[nH+]ccn2C)nnc1[C@@H](CC)[NH+](C)C ZINC000064652271 307357529 /nfs/dbraw/zinc/35/75/29/307357529.db2.gz VPGIPRZUSZFAIA-CYBMUJFWSA-N 2 2 336.509 3.117 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000120952292 307513424 /nfs/dbraw/zinc/51/34/24/307513424.db2.gz FHZLWCBVAZSINE-UHFFFAOYSA-N 2 2 348.516 3.263 20 0 EGADLP C[NH+](C)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)Cc1ccccc1 ZINC000125488757 307556501 /nfs/dbraw/zinc/55/65/01/307556501.db2.gz BWAAUNICUYTSJW-UXHICEINSA-N 2 2 334.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082198 309059948 /nfs/dbraw/zinc/05/99/48/309059948.db2.gz VBUXMJOWPGUREA-HKUYNNGSSA-N 2 2 338.499 3.045 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082198 309059949 /nfs/dbraw/zinc/05/99/49/309059949.db2.gz VBUXMJOWPGUREA-HKUYNNGSSA-N 2 2 338.499 3.045 20 0 EGADLP C[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)CC(F)(F)F ZINC000414176686 309064856 /nfs/dbraw/zinc/06/48/56/309064856.db2.gz FAZWYWFMMARQQA-SNVBAGLBSA-N 2 2 336.321 3.211 20 0 EGADLP C[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)CC(F)(F)F ZINC000414176683 309064859 /nfs/dbraw/zinc/06/48/59/309064859.db2.gz FAZWYWFMMARQQA-JTQLQIEISA-N 2 2 336.321 3.211 20 0 EGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000153162055 307767480 /nfs/dbraw/zinc/76/74/80/307767480.db2.gz BHBBZNXRUQLLDX-GJZGRUSLSA-N 2 2 342.430 3.215 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153275177 307769700 /nfs/dbraw/zinc/76/97/00/307769700.db2.gz TXEQPWKJTUTKHT-UONOGXRCSA-N 2 2 339.549 3.368 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414210520 309066935 /nfs/dbraw/zinc/06/69/35/309066935.db2.gz OQYVXBDJWWWIHY-SESVDKBCSA-N 2 2 338.499 3.293 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414210520 309066936 /nfs/dbraw/zinc/06/69/36/309066936.db2.gz OQYVXBDJWWWIHY-SESVDKBCSA-N 2 2 338.499 3.293 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)nn1C ZINC000414281052 309070378 /nfs/dbraw/zinc/07/03/78/309070378.db2.gz FEEXSXNESCILCZ-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nn1C ZINC000414281052 309070379 /nfs/dbraw/zinc/07/03/79/309070379.db2.gz FEEXSXNESCILCZ-INIZCTEOSA-N 2 2 326.488 3.393 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000414351074 309074601 /nfs/dbraw/zinc/07/46/01/309074601.db2.gz RCWCMTSQBNODHN-KSMMKXTCSA-N 2 2 329.463 3.321 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000414351074 309074602 /nfs/dbraw/zinc/07/46/02/309074602.db2.gz RCWCMTSQBNODHN-KSMMKXTCSA-N 2 2 329.463 3.321 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248198864 308000423 /nfs/dbraw/zinc/00/04/23/308000423.db2.gz XYRWDMAPJFGTSS-SLYNCCJLSA-N 2 2 342.483 3.073 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248198864 308000424 /nfs/dbraw/zinc/00/04/24/308000424.db2.gz XYRWDMAPJFGTSS-SLYNCCJLSA-N 2 2 342.483 3.073 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249169619 308020483 /nfs/dbraw/zinc/02/04/83/308020483.db2.gz APCIWNDLCIRDRJ-ZWKOTPCHSA-N 2 2 330.451 3.492 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249169619 308020484 /nfs/dbraw/zinc/02/04/84/308020484.db2.gz APCIWNDLCIRDRJ-ZWKOTPCHSA-N 2 2 330.451 3.492 20 0 EGADLP Brc1ccc(C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000292817998 308068996 /nfs/dbraw/zinc/06/89/96/308068996.db2.gz XQXVYXFXYDGWKT-HNNXBMFYSA-N 2 2 334.261 3.210 20 0 EGADLP Brc1ccc(C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000292817998 308068999 /nfs/dbraw/zinc/06/89/99/308068999.db2.gz XQXVYXFXYDGWKT-HNNXBMFYSA-N 2 2 334.261 3.210 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c(Cl)nc21 ZINC000292859588 308073330 /nfs/dbraw/zinc/07/33/30/308073330.db2.gz VFBZYBSPKUVUML-GOSISDBHSA-N 2 2 347.894 3.193 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c(Cl)nc21 ZINC000292859588 308073331 /nfs/dbraw/zinc/07/33/31/308073331.db2.gz VFBZYBSPKUVUML-GOSISDBHSA-N 2 2 347.894 3.193 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)c(Cl)nc21 ZINC000292859588 308073332 /nfs/dbraw/zinc/07/33/32/308073332.db2.gz VFBZYBSPKUVUML-GOSISDBHSA-N 2 2 347.894 3.193 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)c(Cl)nc21 ZINC000292859588 308073333 /nfs/dbraw/zinc/07/33/33/308073333.db2.gz VFBZYBSPKUVUML-GOSISDBHSA-N 2 2 347.894 3.193 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)co2)cc1 ZINC000292907220 308078613 /nfs/dbraw/zinc/07/86/13/308078613.db2.gz HAIAEMVYQPVCOF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)co2)cc1 ZINC000292907220 308078615 /nfs/dbraw/zinc/07/86/15/308078615.db2.gz HAIAEMVYQPVCOF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)co2)cc1 ZINC000292907220 308078616 /nfs/dbraw/zinc/07/86/16/308078616.db2.gz HAIAEMVYQPVCOF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)co2)cc1 ZINC000292907220 308078618 /nfs/dbraw/zinc/07/86/18/308078618.db2.gz HAIAEMVYQPVCOF-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000292971627 308085666 /nfs/dbraw/zinc/08/56/66/308085666.db2.gz DSFCKIRHYOFDHF-HNNXBMFYSA-N 2 2 341.455 3.108 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019066 308090834 /nfs/dbraw/zinc/09/08/34/308090834.db2.gz QOQPVJCUJLMISQ-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019066 308090836 /nfs/dbraw/zinc/09/08/36/308090836.db2.gz QOQPVJCUJLMISQ-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019066 308090838 /nfs/dbraw/zinc/09/08/38/308090838.db2.gz QOQPVJCUJLMISQ-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000293019066 308090840 /nfs/dbraw/zinc/09/08/40/308090840.db2.gz QOQPVJCUJLMISQ-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746324 308158084 /nfs/dbraw/zinc/15/80/84/308158084.db2.gz PUCOXPVIFMIUAK-SQWLQELKSA-N 2 2 328.435 3.287 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746324 308158086 /nfs/dbraw/zinc/15/80/86/308158086.db2.gz PUCOXPVIFMIUAK-SQWLQELKSA-N 2 2 328.435 3.287 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncc(C)s1 ZINC000414525179 309086527 /nfs/dbraw/zinc/08/65/27/309086527.db2.gz IKTBKCXPWVVZSD-QZTJIDSGSA-N 2 2 345.512 3.078 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncc(C)s1 ZINC000414525179 309086528 /nfs/dbraw/zinc/08/65/28/309086528.db2.gz IKTBKCXPWVVZSD-QZTJIDSGSA-N 2 2 345.512 3.078 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000294539224 308230220 /nfs/dbraw/zinc/23/02/20/308230220.db2.gz AMNPMDQDGCEQQW-RDTXWAMCSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000294539224 308230221 /nfs/dbraw/zinc/23/02/21/308230221.db2.gz AMNPMDQDGCEQQW-RDTXWAMCSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925295 308272192 /nfs/dbraw/zinc/27/21/92/308272192.db2.gz XDWBJTOWJRUXDZ-YZVOILCLSA-N 2 2 343.471 3.167 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925295 308272193 /nfs/dbraw/zinc/27/21/93/308272193.db2.gz XDWBJTOWJRUXDZ-YZVOILCLSA-N 2 2 343.471 3.167 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295108110 308291971 /nfs/dbraw/zinc/29/19/71/308291971.db2.gz LHICVOMVXPFGFD-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295108110 308291972 /nfs/dbraw/zinc/29/19/72/308291972.db2.gz LHICVOMVXPFGFD-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000295146917 308296909 /nfs/dbraw/zinc/29/69/09/308296909.db2.gz QPYPEHQFQKZGDW-CDHQVMDDSA-N 2 2 334.479 3.492 20 0 EGADLP CC[C@](C[NH2+]CCCc1ccc(C)[nH+]c1)(C(=O)OC)c1ccccc1 ZINC000414581285 309090593 /nfs/dbraw/zinc/09/05/93/309090593.db2.gz FMHUUZHKJRXOAY-OAQYLSRUSA-N 2 2 340.467 3.433 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000295895203 308372136 /nfs/dbraw/zinc/37/21/36/308372136.db2.gz IKFPYVDBZFEJRX-SJORKVTESA-N 2 2 332.517 3.396 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000295933706 308376211 /nfs/dbraw/zinc/37/62/11/308376211.db2.gz KNVUCUORKJAZES-SFHVURJKSA-N 2 2 325.460 3.246 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414698966 309096120 /nfs/dbraw/zinc/09/61/20/309096120.db2.gz RFEVVKGMKSBGGP-AWEZNQCLSA-N 2 2 325.447 3.032 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766479 309099559 /nfs/dbraw/zinc/09/95/59/309099559.db2.gz HQEJUQZMNNCKTK-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766479 309099560 /nfs/dbraw/zinc/09/95/60/309099560.db2.gz HQEJUQZMNNCKTK-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1SC ZINC000298330752 308603993 /nfs/dbraw/zinc/60/39/93/308603993.db2.gz IUCSTEUSAOXZCL-USXIJHARSA-N 2 2 335.448 3.010 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000414816425 309103449 /nfs/dbraw/zinc/10/34/49/309103449.db2.gz PVBRKCSCSWJABS-GFCCVEGCSA-N 2 2 328.382 3.199 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000299681856 308684264 /nfs/dbraw/zinc/68/42/64/308684264.db2.gz SGPRAXXURUUYSK-UHFFFAOYSA-N 2 2 337.427 3.280 20 0 EGADLP Cc1nc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301627492 308708059 /nfs/dbraw/zinc/70/80/59/308708059.db2.gz AFPZWYGKZQYZKX-OAHLLOKOSA-N 2 2 339.487 3.024 20 0 EGADLP Cc1nc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301627490 308708127 /nfs/dbraw/zinc/70/81/27/308708127.db2.gz AFPZWYGKZQYZKX-HNNXBMFYSA-N 2 2 339.487 3.024 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000414843563 309105081 /nfs/dbraw/zinc/10/50/81/309105081.db2.gz JQSGBRMYPGSVMD-IBGZPJMESA-N 2 2 335.455 3.385 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000309992953 308763359 /nfs/dbraw/zinc/76/33/59/308763359.db2.gz IXNODBZXPVVHOA-INIZCTEOSA-N 2 2 336.480 3.043 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000309992955 308763361 /nfs/dbraw/zinc/76/33/61/308763361.db2.gz IXNODBZXPVVHOA-MRXNPFEDSA-N 2 2 336.480 3.043 20 0 EGADLP CC1(C)Cc2occc2[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC000333232588 308853918 /nfs/dbraw/zinc/85/39/18/308853918.db2.gz CIOULWIRCYWHIR-MRXNPFEDSA-N 2 2 326.444 3.210 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1Cl ZINC000339888265 308879256 /nfs/dbraw/zinc/87/92/56/308879256.db2.gz AJKOIXSWEKCDPG-QGZVFWFLSA-N 2 2 342.830 3.020 20 0 EGADLP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000348177144 308883692 /nfs/dbraw/zinc/88/36/92/308883692.db2.gz UYPLLMYSHFGAJW-RBUKOAKNSA-N 2 2 328.460 3.049 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)o1 ZINC000414847089 309105400 /nfs/dbraw/zinc/10/54/00/309105400.db2.gz OBZXUDBHMPJACX-QGZVFWFLSA-N 2 2 330.428 3.369 20 0 EGADLP [NH3+]C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000414855040 309105798 /nfs/dbraw/zinc/10/57/98/309105798.db2.gz VUKYXYPDEHLWLO-OAQYLSRUSA-N 3 2 329.532 3.191 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414857446 309105915 /nfs/dbraw/zinc/10/59/15/309105915.db2.gz PMPANIMTOGPPDB-HUUCEWRRSA-N 2 2 331.485 3.200 20 0 EGADLP C[NH2+]CCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414859718 309106039 /nfs/dbraw/zinc/10/60/39/309106039.db2.gz NHAWZENELNSNRT-UHFFFAOYSA-N 2 2 340.290 3.272 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(F)ccc2C)cc1 ZINC000414894051 309107708 /nfs/dbraw/zinc/10/77/08/309107708.db2.gz YUXMIVUWHLUTKT-VQTJNVASSA-N 2 2 328.431 3.378 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCC[NH2+]C1 ZINC000414904390 309108530 /nfs/dbraw/zinc/10/85/30/309108530.db2.gz JWYLIPLTSOXYCI-IBGZPJMESA-N 3 2 335.923 3.284 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(-c2cnn(C)c2)c1 ZINC000414922531 309109496 /nfs/dbraw/zinc/10/94/96/309109496.db2.gz CTTADFYEOVKHPO-LJQANCHMSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000414938832 309110158 /nfs/dbraw/zinc/11/01/58/309110158.db2.gz DQLCQEVEWQVJEK-MRXNPFEDSA-N 2 2 328.456 3.362 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414943568 309110556 /nfs/dbraw/zinc/11/05/56/309110556.db2.gz FOEYFCUJHAIIML-QFBILLFUSA-N 2 2 332.394 3.209 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414957353 309111455 /nfs/dbraw/zinc/11/14/55/309111455.db2.gz QSDNJGGZKMZZPG-JXFKEZNVSA-N 2 2 326.488 3.087 20 0 EGADLP Cc1nc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000414958436 309111539 /nfs/dbraw/zinc/11/15/39/309111539.db2.gz WSIMIOVFJVKRRB-XJKSGUPXSA-N 2 2 337.439 3.273 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1OC(F)F ZINC000415039667 309115974 /nfs/dbraw/zinc/11/59/74/309115974.db2.gz JKZMWGCMOTWQCT-GOEBONIOSA-N 2 2 336.357 3.272 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415040567 309116071 /nfs/dbraw/zinc/11/60/71/309116071.db2.gz KFJHXVGIZYGBFV-BBRMVZONSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415040567 309116072 /nfs/dbraw/zinc/11/60/72/309116072.db2.gz KFJHXVGIZYGBFV-BBRMVZONSA-N 2 2 332.879 3.191 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000415069645 309118177 /nfs/dbraw/zinc/11/81/77/309118177.db2.gz SWCKWAKUOWALJM-QGZVFWFLSA-N 2 2 328.847 3.340 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2NCC3)CC1 ZINC000415078577 309118745 /nfs/dbraw/zinc/11/87/45/309118745.db2.gz GOZKAXNUDZCRST-MRXNPFEDSA-N 2 2 336.483 3.365 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415094410 309119932 /nfs/dbraw/zinc/11/99/32/309119932.db2.gz XENAUMONBDLLQU-QAPCUYQASA-N 2 2 341.455 3.072 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C(=O)N1c1ccccc1 ZINC000415100768 309120404 /nfs/dbraw/zinc/12/04/04/309120404.db2.gz HZVPMBBCUMOXRV-LGYWMIHWSA-N 2 2 349.478 3.263 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccn2)cc1 ZINC000415108126 309120896 /nfs/dbraw/zinc/12/08/96/309120896.db2.gz ORRVYNURPACTMN-MRXNPFEDSA-N 2 2 327.428 3.114 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415136079 309123081 /nfs/dbraw/zinc/12/30/81/309123081.db2.gz XCJWIRPPHJYFCZ-OCCSQVGLSA-N 2 2 328.403 3.103 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000415136079 309123082 /nfs/dbraw/zinc/12/30/82/309123082.db2.gz XCJWIRPPHJYFCZ-OCCSQVGLSA-N 2 2 328.403 3.103 20 0 EGADLP Cc1ccsc1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415139403 309123426 /nfs/dbraw/zinc/12/34/26/309123426.db2.gz WUWGKMCQJPUDDB-UHFFFAOYSA-N 3 2 329.513 3.140 20 0 EGADLP C[C@]1(C[NH3+])CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415162271 309124188 /nfs/dbraw/zinc/12/41/88/309124188.db2.gz ACKHKPTYFSGSTF-GOSISDBHSA-N 2 2 326.400 3.077 20 0 EGADLP Cc1cc(C)c(NC(=O)N(CCC[NH3+])Cc2ccccc2)c(C)[nH+]1 ZINC000415734746 309142687 /nfs/dbraw/zinc/14/26/87/309142687.db2.gz KWJFDIUNTPUSFO-UHFFFAOYSA-N 2 2 326.444 3.390 20 0 EGADLP CCn1c[nH+]cc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000417785376 309222140 /nfs/dbraw/zinc/22/21/40/309222140.db2.gz PLFQZZZGVWIXFX-UHFFFAOYSA-N 3 2 338.499 3.391 20 0 EGADLP CCn1c[nH+]cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000417785376 309222141 /nfs/dbraw/zinc/22/21/41/309222141.db2.gz PLFQZZZGVWIXFX-UHFFFAOYSA-N 3 2 338.499 3.391 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417793040 309222583 /nfs/dbraw/zinc/22/25/83/309222583.db2.gz JSKRNZXJQPPJAO-CTNGQTDRSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000417793040 309222584 /nfs/dbraw/zinc/22/25/84/309222584.db2.gz JSKRNZXJQPPJAO-CTNGQTDRSA-N 2 2 338.499 3.390 20 0 EGADLP [NH3+]CCC[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000418677168 309253314 /nfs/dbraw/zinc/25/33/14/309253314.db2.gz RJZGPVWXHVTVNZ-SJORKVTESA-N 2 2 341.459 3.127 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419698647 309271079 /nfs/dbraw/zinc/27/10/79/309271079.db2.gz ZOGAZTCBRSFIPW-GFCCVEGCSA-N 2 2 340.393 3.226 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420271933 309278993 /nfs/dbraw/zinc/27/89/93/309278993.db2.gz KYLCOPKDJYXHTR-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420271933 309278994 /nfs/dbraw/zinc/27/89/94/309278994.db2.gz KYLCOPKDJYXHTR-SFHVURJKSA-N 2 2 325.456 3.092 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000420310791 309280886 /nfs/dbraw/zinc/28/08/86/309280886.db2.gz GVOVRWNIAJHHQO-SBHAEUEKSA-N 2 2 349.478 3.216 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000420310791 309280887 /nfs/dbraw/zinc/28/08/87/309280887.db2.gz GVOVRWNIAJHHQO-SBHAEUEKSA-N 2 2 349.478 3.216 20 0 EGADLP CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420354246 309283818 /nfs/dbraw/zinc/28/38/18/309283818.db2.gz CSEPDNMGHULQMH-PMACEKPBSA-N 2 2 345.531 3.387 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cs2)c(OC)c1 ZINC000420356812 309283970 /nfs/dbraw/zinc/28/39/70/309283970.db2.gz GPHSVXBPJMQNQG-MRXNPFEDSA-N 2 2 349.500 3.290 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccccc1C(F)(F)F ZINC000420360029 309284092 /nfs/dbraw/zinc/28/40/92/309284092.db2.gz GSGHWDYSXHUUMG-OXJKWZBOSA-N 2 2 343.393 3.009 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000420374037 309284997 /nfs/dbraw/zinc/28/49/97/309284997.db2.gz RURCKWOBAVWNCA-GUXCAODWSA-N 2 2 325.456 3.137 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000420374036 309285014 /nfs/dbraw/zinc/28/50/14/309285014.db2.gz RURCKWOBAVWNCA-GQIGUUNPSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(Cl)c1 ZINC000420375167 309285053 /nfs/dbraw/zinc/28/50/53/309285053.db2.gz STESJGQNATVALC-OEYIWLLWSA-N 2 2 337.895 3.260 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420382827 309285603 /nfs/dbraw/zinc/28/56/03/309285603.db2.gz DHMUURMBQRMDKZ-APWZRJJASA-N 2 2 343.515 3.387 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420382827 309285604 /nfs/dbraw/zinc/28/56/04/309285604.db2.gz DHMUURMBQRMDKZ-APWZRJJASA-N 2 2 343.515 3.387 20 0 EGADLP C[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1cccc(OC(F)(F)F)c1 ZINC000420420735 309287077 /nfs/dbraw/zinc/28/70/77/309287077.db2.gz YKEQKKCRIKEPLU-VIFPVBQESA-N 2 2 344.337 3.013 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420414086 309287148 /nfs/dbraw/zinc/28/71/48/309287148.db2.gz UJBSSHILAFNNGK-MPGHIAIKSA-N 2 2 331.504 3.055 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420414086 309287149 /nfs/dbraw/zinc/28/71/49/309287149.db2.gz UJBSSHILAFNNGK-MPGHIAIKSA-N 2 2 331.504 3.055 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420788088 309294717 /nfs/dbraw/zinc/29/47/17/309294717.db2.gz KQHJTMALWAPVJP-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420788088 309294718 /nfs/dbraw/zinc/29/47/18/309294718.db2.gz KQHJTMALWAPVJP-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[C@H]1C ZINC000420921372 309301190 /nfs/dbraw/zinc/30/11/90/309301190.db2.gz LGRLHMNQUVVZPY-WIYYLYMNSA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[C@H]1C ZINC000420921372 309301191 /nfs/dbraw/zinc/30/11/91/309301191.db2.gz LGRLHMNQUVVZPY-WIYYLYMNSA-N 2 2 346.515 3.156 20 0 EGADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926257 309301673 /nfs/dbraw/zinc/30/16/73/309301673.db2.gz XTJCXFCPCPEANS-NHCUHLMSSA-N 2 2 346.515 3.202 20 0 EGADLP C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937395 309302399 /nfs/dbraw/zinc/30/23/99/309302399.db2.gz LHWDXYQCFBAXOE-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937395 309302400 /nfs/dbraw/zinc/30/24/00/309302400.db2.gz LHWDXYQCFBAXOE-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1c(F)cncc1F ZINC000420965865 309304809 /nfs/dbraw/zinc/30/48/09/309304809.db2.gz QFCRPOMOYPISLT-CQSZACIVSA-N 2 2 347.409 3.043 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000420975144 309305395 /nfs/dbraw/zinc/30/53/95/309305395.db2.gz PJMJBYAHVNDMCX-UHFFFAOYSA-N 2 2 346.540 3.380 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000420975144 309305396 /nfs/dbraw/zinc/30/53/96/309305396.db2.gz PJMJBYAHVNDMCX-UHFFFAOYSA-N 2 2 346.540 3.380 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCc3cccnc3CC2)c[nH+]1 ZINC000421820888 309341452 /nfs/dbraw/zinc/34/14/52/309341452.db2.gz OGHFJJORTFXJEI-HXUWFJFHSA-N 2 2 332.451 3.364 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422010835 309350788 /nfs/dbraw/zinc/35/07/88/309350788.db2.gz CBVMVVPXZBZHED-GOSISDBHSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422010835 309350789 /nfs/dbraw/zinc/35/07/89/309350789.db2.gz CBVMVVPXZBZHED-GOSISDBHSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028483 309351843 /nfs/dbraw/zinc/35/18/43/309351843.db2.gz XYBXTKKGCGVKLJ-QUCCMNQESA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028483 309351844 /nfs/dbraw/zinc/35/18/44/309351844.db2.gz XYBXTKKGCGVKLJ-QUCCMNQESA-N 2 2 349.563 3.221 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OCc2ccccn2)c1 ZINC000422721203 309364916 /nfs/dbraw/zinc/36/49/16/309364916.db2.gz NPYHGDWWVDPXNM-FTRWYGJKSA-N 2 2 325.456 3.452 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422750432 309366505 /nfs/dbraw/zinc/36/65/05/309366505.db2.gz DEFWIFIRFLDSHP-KZNAEPCWSA-N 3 2 326.488 3.245 20 0 EGADLP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000422758250 309367029 /nfs/dbraw/zinc/36/70/29/309367029.db2.gz IOIUSCGIKJIDRX-PIKOESSRSA-N 3 2 347.547 3.238 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422811818 309369706 /nfs/dbraw/zinc/36/97/06/309369706.db2.gz POMHIBXIOWNXHO-FCLJQHQZSA-N 2 2 330.863 3.036 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)C1C[NH2+]C1 ZINC000422828097 309370604 /nfs/dbraw/zinc/37/06/04/309370604.db2.gz STSJGEPBTZFNRZ-LJQANCHMSA-N 3 2 337.511 3.276 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422839163 309371390 /nfs/dbraw/zinc/37/13/90/309371390.db2.gz PQNSXYDPEKCTNZ-IRXDYDNUSA-N 2 2 342.439 3.337 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000422910521 309375865 /nfs/dbraw/zinc/37/58/65/309375865.db2.gz QXRJPZSDOWNHMD-CVEARBPZSA-N 3 2 326.488 3.020 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000422910521 309375866 /nfs/dbraw/zinc/37/58/66/309375866.db2.gz QXRJPZSDOWNHMD-CVEARBPZSA-N 3 2 326.488 3.020 20 0 EGADLP CC[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[NH2+]1 ZINC000422954878 309377850 /nfs/dbraw/zinc/37/78/50/309377850.db2.gz IJLJDFLPWOOYFM-GJZGRUSLSA-N 2 2 334.851 3.053 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000422958807 309378255 /nfs/dbraw/zinc/37/82/55/309378255.db2.gz QAXMKOQZFDCUHS-PLMTUMEDSA-N 2 2 340.467 3.141 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000422999832 309380219 /nfs/dbraw/zinc/38/02/19/309380219.db2.gz SXWOZFHMTMQKQK-XAMWDVODSA-N 2 2 332.488 3.042 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423030844 309381926 /nfs/dbraw/zinc/38/19/26/309381926.db2.gz WNLWHEUYGXEBED-BYCMXARLSA-N 2 2 334.357 3.176 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000423060880 309383769 /nfs/dbraw/zinc/38/37/69/309383769.db2.gz PPJRFWONZOGUAI-CEQIKUNHSA-N 3 2 340.515 3.499 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423099125 309385865 /nfs/dbraw/zinc/38/58/65/309385865.db2.gz DWZCOUDARAIBCJ-OXQOHEQNSA-N 2 2 341.474 3.474 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142735 309388201 /nfs/dbraw/zinc/38/82/01/309388201.db2.gz VRLYTEUUSZSCPS-HMXCVIKNSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423142735 309388202 /nfs/dbraw/zinc/38/82/02/309388202.db2.gz VRLYTEUUSZSCPS-HMXCVIKNSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@H]1CCC[NH2+]1 ZINC000423156908 309388786 /nfs/dbraw/zinc/38/87/86/309388786.db2.gz UNCKMAWODSXVKR-FZZIBODNSA-N 2 2 327.241 3.306 20 0 EGADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423176562 309389240 /nfs/dbraw/zinc/38/92/40/309389240.db2.gz GKYKLJKXAWXEPM-SECBINFHSA-N 2 2 340.290 3.490 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000423203831 309390292 /nfs/dbraw/zinc/39/02/92/309390292.db2.gz AEFZIHQHZBWEHW-PSASIEDQSA-N 2 2 337.183 3.480 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCS2 ZINC000423232870 309391512 /nfs/dbraw/zinc/39/15/12/309391512.db2.gz IWULMPHPDZQYBI-AAEUAGOBSA-N 2 2 327.291 3.328 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423270142 309393452 /nfs/dbraw/zinc/39/34/52/309393452.db2.gz GDQJEOKRWYKCCQ-QGZVFWFLSA-N 2 2 331.504 3.330 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000423296791 309394224 /nfs/dbraw/zinc/39/42/24/309394224.db2.gz ZWBABHPIVJVLCC-AUUYWEPGSA-N 2 2 338.430 3.458 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000423328521 309395464 /nfs/dbraw/zinc/39/54/64/309395464.db2.gz KSHULAXXLTYOTH-GFCCVEGCSA-N 2 2 337.464 3.144 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423335206 309395787 /nfs/dbraw/zinc/39/57/87/309395787.db2.gz PRQSGEYHQDMXOP-RYGJVYDSSA-N 2 2 339.483 3.449 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cscn3)cc2)CC1 ZINC000423340043 309396026 /nfs/dbraw/zinc/39/60/26/309396026.db2.gz SMZDQHPQWLDSRA-QGZVFWFLSA-N 2 2 344.484 3.014 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C12CCC2 ZINC000423336627 309396062 /nfs/dbraw/zinc/39/60/62/309396062.db2.gz QNQJXNUEFLLXNR-LWYYNNOASA-N 2 2 344.499 3.078 20 0 EGADLP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000423352126 309396679 /nfs/dbraw/zinc/39/66/79/309396679.db2.gz JSGOCDNJZDTHTA-OAQYLSRUSA-N 2 2 336.483 3.295 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384177 309397913 /nfs/dbraw/zinc/39/79/13/309397913.db2.gz JYIHJWCYIVGVRC-DFQSSKMNSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384177 309397914 /nfs/dbraw/zinc/39/79/14/309397914.db2.gz JYIHJWCYIVGVRC-DFQSSKMNSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000423582301 309406698 /nfs/dbraw/zinc/40/66/98/309406698.db2.gz ZVKWVFVIQSGJGU-KRWDZBQOSA-N 3 2 339.483 3.036 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000423769272 309411969 /nfs/dbraw/zinc/41/19/69/309411969.db2.gz GCVLOKXLGZNLGH-HIFRSBDPSA-N 2 2 326.444 3.349 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000424340848 309439656 /nfs/dbraw/zinc/43/96/56/309439656.db2.gz YZPRVTPAZCWVHP-RTBURBONSA-N 2 2 339.439 3.277 20 0 EGADLP c1nc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c(-c2ccccc2)o1 ZINC000425895313 309494012 /nfs/dbraw/zinc/49/40/12/309494012.db2.gz IDYQPYJGIVLQAP-UHFFFAOYSA-N 2 2 338.411 3.086 20 0 EGADLP CCOc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C3CC3)cs2)cc1 ZINC000430551947 309610448 /nfs/dbraw/zinc/61/04/48/309610448.db2.gz RBZJEHOQYBJESE-GOSISDBHSA-N 2 2 331.485 3.426 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C3CC3)cs2)c(OC)c1 ZINC000430594854 309612475 /nfs/dbraw/zinc/61/24/75/309612475.db2.gz WJVKZWRFNCHBDJ-SFHVURJKSA-N 2 2 347.484 3.044 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000431799116 309643481 /nfs/dbraw/zinc/64/34/81/309643481.db2.gz JUIQPUVEEPMFKI-RDJZCZTQSA-N 2 2 337.533 3.120 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432246945 309655688 /nfs/dbraw/zinc/65/56/88/309655688.db2.gz OPIVEEZHOKJJPN-LBPRGKRZSA-N 2 2 337.316 3.237 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442653004 309884017 /nfs/dbraw/zinc/88/40/17/309884017.db2.gz QSIIERSLIJPDBR-ZWKOTPCHSA-N 2 2 333.479 3.398 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449017156 310029173 /nfs/dbraw/zinc/02/91/73/310029173.db2.gz JHQNCYRNPGGEHX-UHFFFAOYSA-N 2 2 330.451 3.189 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])c1ccccc1C)c1ccccc1 ZINC000449069814 310034512 /nfs/dbraw/zinc/03/45/12/310034512.db2.gz ILJFHFINCPDORQ-IBGZPJMESA-N 2 2 325.456 3.028 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c1ccccc1C)c1ccccc1 ZINC000449069814 310034513 /nfs/dbraw/zinc/03/45/13/310034513.db2.gz ILJFHFINCPDORQ-IBGZPJMESA-N 2 2 325.456 3.028 20 0 EGADLP COCC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449079238 310035257 /nfs/dbraw/zinc/03/52/57/310035257.db2.gz NXJATEUUFMWJGL-UHFFFAOYSA-N 2 2 337.464 3.007 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449079238 310035258 /nfs/dbraw/zinc/03/52/58/310035258.db2.gz NXJATEUUFMWJGL-UHFFFAOYSA-N 2 2 337.464 3.007 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCSC1 ZINC000449176306 310042388 /nfs/dbraw/zinc/04/23/88/310042388.db2.gz MIRBBTBCNBQXEB-VJFUWPCTSA-N 2 2 326.550 3.284 20 0 EGADLP C[C@@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238573 310046688 /nfs/dbraw/zinc/04/66/88/310046688.db2.gz GUKCYKCOYLHNSS-OYHNWAKOSA-N 2 2 330.582 3.364 20 0 EGADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238573 310046689 /nfs/dbraw/zinc/04/66/89/310046689.db2.gz GUKCYKCOYLHNSS-OYHNWAKOSA-N 2 2 330.582 3.364 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341163 310054953 /nfs/dbraw/zinc/05/49/53/310054953.db2.gz SBRSONSQGRHCPF-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341163 310054954 /nfs/dbraw/zinc/05/49/54/310054954.db2.gz SBRSONSQGRHCPF-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341163 310054955 /nfs/dbraw/zinc/05/49/55/310054955.db2.gz SBRSONSQGRHCPF-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341163 310054956 /nfs/dbraw/zinc/05/49/56/310054956.db2.gz SBRSONSQGRHCPF-SFHVURJKSA-N 2 2 331.460 3.477 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449387600 310058061 /nfs/dbraw/zinc/05/80/61/310058061.db2.gz MDBSQKGALQJQMS-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449387600 310058062 /nfs/dbraw/zinc/05/80/62/310058062.db2.gz MDBSQKGALQJQMS-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387596 310058081 /nfs/dbraw/zinc/05/80/81/310058081.db2.gz MDBSQKGALQJQMS-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387596 310058082 /nfs/dbraw/zinc/05/80/82/310058082.db2.gz MDBSQKGALQJQMS-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000449481856 310065649 /nfs/dbraw/zinc/06/56/49/310065649.db2.gz WEGPRQVKURLVDA-SOLBZPMBSA-N 2 2 344.890 3.074 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000449481856 310065650 /nfs/dbraw/zinc/06/56/50/310065650.db2.gz WEGPRQVKURLVDA-SOLBZPMBSA-N 2 2 344.890 3.074 20 0 EGADLP CCO[C@H]1CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@H]1C ZINC000449496716 310066898 /nfs/dbraw/zinc/06/68/98/310066898.db2.gz JHBCZIKASCGWJY-ZBFHGGJFSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@H]1CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@H]1C ZINC000449496716 310066899 /nfs/dbraw/zinc/06/68/99/310066899.db2.gz JHBCZIKASCGWJY-ZBFHGGJFSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@H]1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C[C@H]1C ZINC000449496716 310066900 /nfs/dbraw/zinc/06/69/00/310066900.db2.gz JHBCZIKASCGWJY-ZBFHGGJFSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@H]1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C[C@H]1C ZINC000449496716 310066901 /nfs/dbraw/zinc/06/69/01/310066901.db2.gz JHBCZIKASCGWJY-ZBFHGGJFSA-N 2 2 337.533 3.157 20 0 EGADLP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449513328 310068258 /nfs/dbraw/zinc/06/82/58/310068258.db2.gz SAGKMJMWGGJVAQ-MSOLQXFVSA-N 2 2 327.428 3.084 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccs3)CC2)cc1 ZINC000449524437 310069215 /nfs/dbraw/zinc/06/92/15/310069215.db2.gz QUIATCQFHFCDPZ-UHFFFAOYSA-N 2 2 343.496 3.461 20 0 EGADLP CCC[C@@H](C)[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000449551548 310071107 /nfs/dbraw/zinc/07/11/07/310071107.db2.gz GINVIBLABCAHIF-LJQANCHMSA-N 2 2 345.531 3.136 20 0 EGADLP CO[C@@H]1C[C@@H]([N@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630123 310076220 /nfs/dbraw/zinc/07/62/20/310076220.db2.gz HCQMRFBVHFSUCW-IAGOWNOFSA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630123 310076221 /nfs/dbraw/zinc/07/62/21/310076221.db2.gz HCQMRFBVHFSUCW-IAGOWNOFSA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@@H]1C[C@@H]([NH+](C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C12CCC2 ZINC000449630123 310076222 /nfs/dbraw/zinc/07/62/22/310076222.db2.gz HCQMRFBVHFSUCW-IAGOWNOFSA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@@H]1C[C@@H]([NH+](C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C12CCC2 ZINC000449630123 310076223 /nfs/dbraw/zinc/07/62/23/310076223.db2.gz HCQMRFBVHFSUCW-IAGOWNOFSA-N 2 2 349.544 3.299 20 0 EGADLP COCCC[NH+]1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000450306021 310114490 /nfs/dbraw/zinc/11/44/90/310114490.db2.gz RSMJWHDAGZTKBB-UHFFFAOYSA-N 2 2 339.443 3.024 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450600387 310132475 /nfs/dbraw/zinc/13/24/75/310132475.db2.gz VRMQIVUWOPPDIH-LBPRGKRZSA-N 2 2 337.826 3.286 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450600387 310132476 /nfs/dbraw/zinc/13/24/76/310132476.db2.gz VRMQIVUWOPPDIH-LBPRGKRZSA-N 2 2 337.826 3.286 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994505 310154186 /nfs/dbraw/zinc/15/41/86/310154186.db2.gz ZFKVHEHBXDTYDX-FXAWDEMLSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994505 310154187 /nfs/dbraw/zinc/15/41/87/310154187.db2.gz ZFKVHEHBXDTYDX-FXAWDEMLSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000450994505 310154188 /nfs/dbraw/zinc/15/41/88/310154188.db2.gz ZFKVHEHBXDTYDX-FXAWDEMLSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000450994505 310154189 /nfs/dbraw/zinc/15/41/89/310154189.db2.gz ZFKVHEHBXDTYDX-FXAWDEMLSA-N 2 2 330.472 3.198 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccncc1 ZINC000453072467 310255985 /nfs/dbraw/zinc/25/59/85/310255985.db2.gz YDHRFVKPJPVNIN-HXUWFJFHSA-N 2 2 325.456 3.155 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CCCC1 ZINC000453259299 310267385 /nfs/dbraw/zinc/26/73/85/310267385.db2.gz IDBOHWOQNLAAGZ-WIYYLYMNSA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CCCC1 ZINC000453259299 310267386 /nfs/dbraw/zinc/26/73/86/310267386.db2.gz IDBOHWOQNLAAGZ-WIYYLYMNSA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CCCC1 ZINC000453273330 310268720 /nfs/dbraw/zinc/26/87/20/310268720.db2.gz VSDPIADYXACWMX-GHTZIAJQSA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CCCC1 ZINC000453273330 310268721 /nfs/dbraw/zinc/26/87/21/310268721.db2.gz VSDPIADYXACWMX-GHTZIAJQSA-N 2 2 346.515 3.363 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C3(C)CC3)CC2)cc1 ZINC000453327885 310271147 /nfs/dbraw/zinc/27/11/47/310271147.db2.gz PHDJDTJZMIRVHZ-HNNXBMFYSA-N 2 2 329.488 3.388 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453372556 310273533 /nfs/dbraw/zinc/27/35/33/310273533.db2.gz GNVHPLPOSVUTCM-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453372556 310273534 /nfs/dbraw/zinc/27/35/34/310273534.db2.gz GNVHPLPOSVUTCM-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000453624225 310285193 /nfs/dbraw/zinc/28/51/93/310285193.db2.gz PSDJLFQDDNJTGM-FQEVSTJZSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000453624225 310285194 /nfs/dbraw/zinc/28/51/94/310285194.db2.gz PSDJLFQDDNJTGM-FQEVSTJZSA-N 2 2 341.455 3.426 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000454724466 310325912 /nfs/dbraw/zinc/32/59/12/310325912.db2.gz OZEHQFRCOITVHL-UHFFFAOYSA-N 2 2 343.475 3.329 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000455481795 310363057 /nfs/dbraw/zinc/36/30/57/310363057.db2.gz PHTYPJAONOYAAO-GASCZTMLSA-N 2 2 348.491 3.016 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000455481795 310363058 /nfs/dbraw/zinc/36/30/58/310363058.db2.gz PHTYPJAONOYAAO-GASCZTMLSA-N 2 2 348.491 3.016 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504429 310364316 /nfs/dbraw/zinc/36/43/16/310364316.db2.gz WOMNHKHVCOPXSH-AEFFLSMTSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504429 310364317 /nfs/dbraw/zinc/36/43/17/310364317.db2.gz WOMNHKHVCOPXSH-AEFFLSMTSA-N 2 2 342.487 3.487 20 0 EGADLP CCOC[C@H]1CCC[C@H]1[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000474384259 310792205 /nfs/dbraw/zinc/79/22/05/310792205.db2.gz JKPGCVIZZJDLEU-YLJYHZDGSA-N 2 2 331.504 3.364 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]C/C=C\c3ccncc3)CC2)cc1 ZINC000486990532 311005828 /nfs/dbraw/zinc/00/58/28/311005828.db2.gz XKZMMQPKCXAXPI-UPHRSURJSA-N 2 2 325.431 3.488 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@@H]3CS[C@@H](C(C)(C)C)C3)[nH+]c2)CC1 ZINC000488440955 311065517 /nfs/dbraw/zinc/06/55/17/311065517.db2.gz KBOYYKRYNAXPAR-GOEBONIOSA-N 2 2 334.533 3.166 20 0 EGADLP CC1CC[NH+](CCN2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000489965979 311127450 /nfs/dbraw/zinc/12/74/50/311127450.db2.gz PGGQDSFJJNMQMB-UHFFFAOYSA-N 2 2 335.923 3.190 20 0 EGADLP Cc1ccc(CCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000492278730 311233022 /nfs/dbraw/zinc/23/30/22/311233022.db2.gz SAHHXOBKIOODIR-UHFFFAOYSA-N 2 2 333.476 3.312 20 0 EGADLP CC(C)c1nnc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC000492399388 311246047 /nfs/dbraw/zinc/24/60/47/311246047.db2.gz PEUABRIMZAOPOJ-UHFFFAOYSA-N 2 2 333.486 3.241 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000492868955 311301284 /nfs/dbraw/zinc/30/12/84/311301284.db2.gz WPDZRDPFKKAMNZ-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000492868955 311301286 /nfs/dbraw/zinc/30/12/86/311301286.db2.gz WPDZRDPFKKAMNZ-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000492910414 311305749 /nfs/dbraw/zinc/30/57/49/311305749.db2.gz JAFWOOHIOAUUJY-HJWRWDBZSA-N 2 2 338.455 3.115 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)c1ccccc1Cl ZINC000493225861 311345645 /nfs/dbraw/zinc/34/56/45/311345645.db2.gz PQCDWAAMKIJZNE-ZBTGYSDGSA-N 2 2 346.862 3.276 20 0 EGADLP C[C@@H](c1ccccn1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000493281325 311353475 /nfs/dbraw/zinc/35/34/75/311353475.db2.gz PAKALKMOHSDSOF-SFHVURJKSA-N 3 2 344.547 3.271 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493330041 311360788 /nfs/dbraw/zinc/36/07/88/311360788.db2.gz XVDRGOOSBZGLRQ-VOTSOKGWSA-N 2 2 335.411 3.430 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339963 311362064 /nfs/dbraw/zinc/36/20/64/311362064.db2.gz YEGNZAMQPUKULV-WMLDXEAASA-N 2 2 333.476 3.116 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339963 311362066 /nfs/dbraw/zinc/36/20/66/311362066.db2.gz YEGNZAMQPUKULV-WMLDXEAASA-N 2 2 333.476 3.116 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CC(OCc3ccccc3)C1)CCC2 ZINC000493767219 311427101 /nfs/dbraw/zinc/42/71/01/311427101.db2.gz MIDXRYFZZIZKHG-VIQWUECVSA-N 2 2 325.456 3.406 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000494410829 311475955 /nfs/dbraw/zinc/47/59/55/311475955.db2.gz HLPRNRYIILJYGZ-SWLSCSKDSA-N 2 2 334.261 3.354 20 0 EGADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000495840248 311619377 /nfs/dbraw/zinc/61/93/77/311619377.db2.gz JOTYLZILVNNIBM-WMZOPIPTSA-N 2 2 333.476 3.169 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000496228868 311681325 /nfs/dbraw/zinc/68/13/25/311681325.db2.gz QRZRXUWYALJUCD-IBGZPJMESA-N 2 2 333.476 3.216 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000507227959 312064142 /nfs/dbraw/zinc/06/41/42/312064142.db2.gz JFRFCTIKYGOKQN-QBUWPKIASA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000507227959 312064144 /nfs/dbraw/zinc/06/41/44/312064144.db2.gz JFRFCTIKYGOKQN-QBUWPKIASA-N 2 2 343.515 3.038 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)[C@@H]3CCCOC3)c(C)c2)CC1 ZINC000507452787 312072922 /nfs/dbraw/zinc/07/29/22/312072922.db2.gz YELCAITZOZXXTL-QZTJIDSGSA-N 2 2 331.504 3.364 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@@H]3C3CCC3)CC2)cc1 ZINC000509693582 312123842 /nfs/dbraw/zinc/12/38/42/312123842.db2.gz ADUNWUYWHWFRFV-OAQYLSRUSA-N 2 2 327.516 3.463 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@@H]3C3CCC3)CC2)cc1 ZINC000509693582 312123844 /nfs/dbraw/zinc/12/38/44/312123844.db2.gz ADUNWUYWHWFRFV-OAQYLSRUSA-N 2 2 327.516 3.463 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000512066783 312174472 /nfs/dbraw/zinc/17/44/72/312174472.db2.gz IKUXLKOITSQSHE-HXUWFJFHSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000512066783 312174475 /nfs/dbraw/zinc/17/44/75/312174475.db2.gz IKUXLKOITSQSHE-HXUWFJFHSA-N 2 2 340.515 3.291 20 0 EGADLP Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000513150783 312203045 /nfs/dbraw/zinc/20/30/45/312203045.db2.gz RZQNWBXPPWENRG-UHFFFAOYSA-N 2 2 338.499 3.449 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)n1C ZINC000514679096 312238547 /nfs/dbraw/zinc/23/85/47/312238547.db2.gz WTCUCUMSCGMGOW-UHFFFAOYSA-N 2 2 328.243 3.342 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1Cl ZINC000516160004 312311403 /nfs/dbraw/zinc/31/14/03/312311403.db2.gz VFIZOQICGYACIN-OAHLLOKOSA-N 2 2 345.830 3.217 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1Cl ZINC000516160004 312311404 /nfs/dbraw/zinc/31/14/04/312311404.db2.gz VFIZOQICGYACIN-OAHLLOKOSA-N 2 2 345.830 3.217 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227991 312370012 /nfs/dbraw/zinc/37/00/12/312370012.db2.gz GLACQLYBNBXSQH-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227991 312370013 /nfs/dbraw/zinc/37/00/13/312370013.db2.gz GLACQLYBNBXSQH-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227991 312370015 /nfs/dbraw/zinc/37/00/15/312370015.db2.gz GLACQLYBNBXSQH-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227991 312370016 /nfs/dbraw/zinc/37/00/16/312370016.db2.gz GLACQLYBNBXSQH-BLLLJJGKSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227994 312370128 /nfs/dbraw/zinc/37/01/28/312370128.db2.gz GLACQLYBNBXSQH-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227994 312370129 /nfs/dbraw/zinc/37/01/29/312370129.db2.gz GLACQLYBNBXSQH-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227994 312370132 /nfs/dbraw/zinc/37/01/32/312370132.db2.gz GLACQLYBNBXSQH-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227994 312370133 /nfs/dbraw/zinc/37/01/33/312370133.db2.gz GLACQLYBNBXSQH-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1)c1ccccc1 ZINC000517358856 312375965 /nfs/dbraw/zinc/37/59/65/312375965.db2.gz QEVJFFTUJGIXDV-HKUYNNGSSA-N 2 2 342.483 3.145 20 0 EGADLP CCc1cc(NC[C@@H](C(CC)CC)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000518298598 312410892 /nfs/dbraw/zinc/41/08/92/312410892.db2.gz MULBYBVXKHZOKI-SFHVURJKSA-N 2 2 341.503 3.301 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000521266837 312539286 /nfs/dbraw/zinc/53/92/86/312539286.db2.gz HUQAELGRGHNHJB-SWLSCSKDSA-N 2 2 334.851 3.037 20 0 EGADLP CCCC[NH+](CCCC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521685017 312555948 /nfs/dbraw/zinc/55/59/48/312555948.db2.gz VJNLBUQFEYWQIX-UHFFFAOYSA-N 2 2 346.519 3.023 20 0 EGADLP Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000528190954 313036055 /nfs/dbraw/zinc/03/60/55/313036055.db2.gz ZXYSSDPYRLLORD-UHFFFAOYSA-N 2 2 343.446 3.373 20 0 EGADLP C/C(Cl)=C/C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368678 313075372 /nfs/dbraw/zinc/07/53/72/313075372.db2.gz WACBJOKCAGLIPP-CTUYBLSSSA-N 2 2 348.922 3.058 20 0 EGADLP C/C(Cl)=C/C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000528368678 313075377 /nfs/dbraw/zinc/07/53/77/313075377.db2.gz WACBJOKCAGLIPP-CTUYBLSSSA-N 2 2 348.922 3.058 20 0 EGADLP Cc1ccc2sc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)nc2c1 ZINC000528425209 313091235 /nfs/dbraw/zinc/09/12/35/313091235.db2.gz OSNAJVYCJQLINX-HYVNUMGLSA-N 2 2 345.512 3.288 20 0 EGADLP Cc1ccc2sc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)nc2c1 ZINC000528425209 313091237 /nfs/dbraw/zinc/09/12/37/313091237.db2.gz OSNAJVYCJQLINX-HYVNUMGLSA-N 2 2 345.512 3.288 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763464 313167763 /nfs/dbraw/zinc/16/77/63/313167763.db2.gz RXHWTQPQAWQAIU-KRWDZBQOSA-N 2 2 326.488 3.164 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763464 313167767 /nfs/dbraw/zinc/16/77/67/313167767.db2.gz RXHWTQPQAWQAIU-KRWDZBQOSA-N 2 2 326.488 3.164 20 0 EGADLP CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000530575046 313558553 /nfs/dbraw/zinc/55/85/53/313558553.db2.gz FRAMQQCFDLCYII-UHFFFAOYSA-N 2 2 332.473 3.090 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000531988079 313740082 /nfs/dbraw/zinc/74/00/82/313740082.db2.gz PTEAUNQYCAKCMQ-WBVHZDCISA-N 2 2 340.471 3.384 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863134 314003136 /nfs/dbraw/zinc/00/31/36/314003136.db2.gz YJFNJTQIZGLJCD-UHFFFAOYSA-N 2 2 338.455 3.213 20 0 EGADLP CC(C)c1cc(N2CC[NH+](CC3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000534880957 314004745 /nfs/dbraw/zinc/00/47/45/314004745.db2.gz HORLCMBRFBEUFD-UHFFFAOYSA-N 2 2 346.519 3.272 20 0 EGADLP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000535007998 314012137 /nfs/dbraw/zinc/01/21/37/314012137.db2.gz LTJUUMRRXTVGIG-MRXNPFEDSA-N 2 2 336.439 3.416 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C)O[C@@H](C)C2 ZINC000536678531 314138048 /nfs/dbraw/zinc/13/80/48/314138048.db2.gz CALXDVHZJXOMJC-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)O[C@@H](C)C2 ZINC000536678531 314138050 /nfs/dbraw/zinc/13/80/50/314138050.db2.gz CALXDVHZJXOMJC-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)O[C@@H](C)C2 ZINC000536678531 314138052 /nfs/dbraw/zinc/13/80/52/314138052.db2.gz CALXDVHZJXOMJC-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C)O[C@@H](C)C2 ZINC000536678531 314138054 /nfs/dbraw/zinc/13/80/54/314138054.db2.gz CALXDVHZJXOMJC-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000538256740 314235442 /nfs/dbraw/zinc/23/54/42/314235442.db2.gz BMQCMWUXJFTXGT-RMJJICAUSA-N 2 2 348.531 3.142 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000538256740 314235445 /nfs/dbraw/zinc/23/54/45/314235445.db2.gz BMQCMWUXJFTXGT-RMJJICAUSA-N 2 2 348.531 3.142 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000539048917 314292118 /nfs/dbraw/zinc/29/21/18/314292118.db2.gz GTVSQSWLQSTKAU-HIFRSBDPSA-N 2 2 332.435 3.392 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000539048917 314292123 /nfs/dbraw/zinc/29/21/23/314292123.db2.gz GTVSQSWLQSTKAU-HIFRSBDPSA-N 2 2 332.435 3.392 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000539059649 314293118 /nfs/dbraw/zinc/29/31/18/314293118.db2.gz ORFZETSHHYFXDP-OGHNNQOOSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000539059649 314293121 /nfs/dbraw/zinc/29/31/21/314293121.db2.gz ORFZETSHHYFXDP-OGHNNQOOSA-N 2 2 337.305 3.452 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547641811 314920640 /nfs/dbraw/zinc/92/06/40/314920640.db2.gz KYNHNRLBDJJGNJ-SFHVURJKSA-N 2 2 334.423 3.058 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320967 315213125 /nfs/dbraw/zinc/21/31/25/315213125.db2.gz IINIEXHMIVYAPN-YJQAKTFBSA-N 2 2 336.426 3.337 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320967 315213127 /nfs/dbraw/zinc/21/31/27/315213127.db2.gz IINIEXHMIVYAPN-YJQAKTFBSA-N 2 2 336.426 3.337 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000552381556 315217223 /nfs/dbraw/zinc/21/72/23/315217223.db2.gz UMJBEWHJESVVCL-FFZOFVMBSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000552381556 315217225 /nfs/dbraw/zinc/21/72/25/315217225.db2.gz UMJBEWHJESVVCL-FFZOFVMBSA-N 2 2 337.467 3.028 20 0 EGADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560053 315225161 /nfs/dbraw/zinc/22/51/61/315225161.db2.gz DUZLBDXWXRPIOQ-UXHICEINSA-N 2 2 344.547 3.350 20 0 EGADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560053 315225166 /nfs/dbraw/zinc/22/51/66/315225166.db2.gz DUZLBDXWXRPIOQ-UXHICEINSA-N 2 2 344.547 3.350 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)Cc3cccs3)c2cc1C ZINC000552570321 315225250 /nfs/dbraw/zinc/22/52/50/315225250.db2.gz BIELQWAXQGDVPZ-HOTGVXAUSA-N 2 2 343.496 3.296 20 0 EGADLP Cc1ccc2c(C)cc(N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)[nH+]c2c1 ZINC000553604557 315272364 /nfs/dbraw/zinc/27/23/64/315272364.db2.gz XXCASKMXKPMPHN-IAGOWNOFSA-N 2 2 325.456 3.151 20 0 EGADLP CC(C)C1CCC(C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000554855837 315353087 /nfs/dbraw/zinc/35/30/87/315353087.db2.gz YAALOBXUGWXONM-UEKLYDJUSA-N 2 2 335.580 3.407 20 0 EGADLP CC(C)C1CCC(C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000554855837 315353088 /nfs/dbraw/zinc/35/30/88/315353088.db2.gz YAALOBXUGWXONM-UEKLYDJUSA-N 2 2 335.580 3.407 20 0 EGADLP CCc1cnc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000554961034 315359420 /nfs/dbraw/zinc/35/94/20/315359420.db2.gz QWEQWXYZEHSJKV-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000554961034 315359422 /nfs/dbraw/zinc/35/94/22/315359422.db2.gz QWEQWXYZEHSJKV-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000554961034 315359426 /nfs/dbraw/zinc/35/94/26/315359426.db2.gz QWEQWXYZEHSJKV-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000554961034 315359428 /nfs/dbraw/zinc/35/94/28/315359428.db2.gz QWEQWXYZEHSJKV-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000555129326 315367842 /nfs/dbraw/zinc/36/78/42/315367842.db2.gz JUDGMZWMCUTCHQ-JTQLQIEISA-N 2 2 349.207 3.255 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697710 315397919 /nfs/dbraw/zinc/39/79/19/315397919.db2.gz UHZDYPYOLQFPMK-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697710 315397920 /nfs/dbraw/zinc/39/79/20/315397920.db2.gz UHZDYPYOLQFPMK-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697710 315397922 /nfs/dbraw/zinc/39/79/22/315397922.db2.gz UHZDYPYOLQFPMK-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H](CC4CC4)C3)C2)cc1 ZINC000555697710 315397923 /nfs/dbraw/zinc/39/79/23/315397923.db2.gz UHZDYPYOLQFPMK-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNc1nc(C2CC2)[nH+]c2c1CCC2)c1ccco1 ZINC000557695513 315528963 /nfs/dbraw/zinc/52/89/63/315528963.db2.gz LVQAWAGAPOEVNH-SUMWQHHRSA-N 2 2 340.471 3.399 20 0 EGADLP O=C(c1ccccc1Oc1cc[nH+]cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000558714876 315596826 /nfs/dbraw/zinc/59/68/26/315596826.db2.gz LKQSDTGHYGEPKQ-INIZCTEOSA-N 2 2 337.423 3.184 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358087 316005680 /nfs/dbraw/zinc/00/56/80/316005680.db2.gz YJHMKSMFMZYKAZ-IAGOWNOFSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358087 316005682 /nfs/dbraw/zinc/00/56/82/316005682.db2.gz YJHMKSMFMZYKAZ-IAGOWNOFSA-N 2 2 340.471 3.162 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000563916975 316089291 /nfs/dbraw/zinc/08/92/91/316089291.db2.gz NFHGJXMIBUAQBA-GOSISDBHSA-N 2 2 334.504 3.169 20 0 EGADLP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328119 316137132 /nfs/dbraw/zinc/13/71/32/316137132.db2.gz BAGBQNDXFOLNEH-MOPGFXCFSA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328119 316137136 /nfs/dbraw/zinc/13/71/36/316137136.db2.gz BAGBQNDXFOLNEH-MOPGFXCFSA-N 2 2 338.455 3.375 20 0 EGADLP CCSCC[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000565887512 316383769 /nfs/dbraw/zinc/38/37/69/316383769.db2.gz SVDRXKXYMCSPAQ-HOTGVXAUSA-N 2 2 335.517 3.135 20 0 EGADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000567093822 316567506 /nfs/dbraw/zinc/56/75/06/316567506.db2.gz HEIRLWBJRLICAJ-SQNIBIBYSA-N 2 2 339.487 3.319 20 0 EGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCCCC[NH2+]1 ZINC000570928573 317129072 /nfs/dbraw/zinc/12/90/72/317129072.db2.gz PPNRCYYNGSUWJY-SFHVURJKSA-N 2 2 336.439 3.073 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570974519 317135048 /nfs/dbraw/zinc/13/50/48/317135048.db2.gz LJFJSGRYLAZZFX-UZLBHIALSA-N 2 2 340.515 3.298 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000570974519 317135051 /nfs/dbraw/zinc/13/50/51/317135051.db2.gz LJFJSGRYLAZZFX-UZLBHIALSA-N 2 2 340.515 3.298 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+]C3CCC4(CCCO4)CC3)CC2)ccn1 ZINC000571016528 317139469 /nfs/dbraw/zinc/13/94/69/317139469.db2.gz GTOVOPNRJIEODP-UHFFFAOYSA-N 2 2 329.488 3.127 20 0 EGADLP Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000571498638 317206565 /nfs/dbraw/zinc/20/65/65/317206565.db2.gz PJOREWGNNOEURX-UHFFFAOYSA-N 2 2 325.412 3.005 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)n2c1 ZINC000572296810 317317539 /nfs/dbraw/zinc/31/75/39/317317539.db2.gz UYEYRZOZGCMNGM-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)n2c1 ZINC000572296810 317317541 /nfs/dbraw/zinc/31/75/41/317317541.db2.gz UYEYRZOZGCMNGM-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000572522790 317351348 /nfs/dbraw/zinc/35/13/48/317351348.db2.gz LLFPQIMTRRSBTL-RBSFLKMASA-N 2 2 333.480 3.016 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000572702351 317377630 /nfs/dbraw/zinc/37/76/30/317377630.db2.gz ASAROTYYEZLTTR-MRXNPFEDSA-N 2 2 326.400 3.136 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000573339777 317472263 /nfs/dbraw/zinc/47/22/63/317472263.db2.gz XEGUGQXMXCVELI-JKSUJKDBSA-N 2 2 335.467 3.253 20 0 EGADLP C[NH+](C)C[C@](C)(O)CNc1ccc2c(Cl)c3c([nH+]c2c1)CCCC3 ZINC000574818516 317639709 /nfs/dbraw/zinc/63/97/09/317639709.db2.gz YCGSBEODYCMUBJ-LJQANCHMSA-N 2 2 347.890 3.492 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230307659 456136011 /nfs/dbraw/zinc/13/60/11/456136011.db2.gz ZVCWWDKGQYYNDU-SNVBAGLBSA-N 2 2 333.220 3.159 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000230307659 456136014 /nfs/dbraw/zinc/13/60/14/456136014.db2.gz ZVCWWDKGQYYNDU-SNVBAGLBSA-N 2 2 333.220 3.159 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290553653 456363102 /nfs/dbraw/zinc/36/31/02/456363102.db2.gz RXYNRHHTZKHESL-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290553653 456363107 /nfs/dbraw/zinc/36/31/07/456363107.db2.gz RXYNRHHTZKHESL-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290553653 456363113 /nfs/dbraw/zinc/36/31/13/456363113.db2.gz RXYNRHHTZKHESL-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290553653 456363118 /nfs/dbraw/zinc/36/31/18/456363118.db2.gz RXYNRHHTZKHESL-WBMJQRKESA-N 2 2 341.293 3.230 20 0 EGADLP c1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522591 324276013 /nfs/dbraw/zinc/27/60/13/324276013.db2.gz UBYILOPVRKAFEK-PMACEKPBSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522591 324276017 /nfs/dbraw/zinc/27/60/17/324276017.db2.gz UBYILOPVRKAFEK-PMACEKPBSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522591 324276018 /nfs/dbraw/zinc/27/60/18/324276018.db2.gz UBYILOPVRKAFEK-PMACEKPBSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522591 324276022 /nfs/dbraw/zinc/27/60/22/324276022.db2.gz UBYILOPVRKAFEK-PMACEKPBSA-N 2 2 346.478 3.288 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)ccn12 ZINC000576647389 324655835 /nfs/dbraw/zinc/65/58/35/324655835.db2.gz CNHYEQBUUVCYNX-HNAYVOBHSA-N 2 2 336.439 3.064 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(COCc3ccco3)c2)n1C ZINC000579734146 325153124 /nfs/dbraw/zinc/15/31/24/325153124.db2.gz TYGJQIFTIOGFHJ-UHFFFAOYSA-N 2 2 325.412 3.328 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000580062298 325196836 /nfs/dbraw/zinc/19/68/36/325196836.db2.gz CDMDRQZRMNQQQN-IKGGRYGDSA-N 2 2 341.842 3.180 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H](O)Cc1ccccc1)[NH+](C)C ZINC000580829527 325299992 /nfs/dbraw/zinc/29/99/92/325299992.db2.gz PIBKLLUPVFEYQB-LMNJBCLMSA-N 2 2 326.484 3.179 20 0 EGADLP O=C(CC[NH2+]CCCNc1cccc[nH+]1)Nc1ccc(Cl)cc1 ZINC000583807575 325553068 /nfs/dbraw/zinc/55/30/68/325553068.db2.gz QTQSOLBHSMXNDG-UHFFFAOYSA-N 2 2 332.835 3.155 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000157898684 455245885 /nfs/dbraw/zinc/24/58/85/455245885.db2.gz WJLOGHPXZAICGQ-LJQANCHMSA-N 3 2 344.547 3.290 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000157898684 455245889 /nfs/dbraw/zinc/24/58/89/455245889.db2.gz WJLOGHPXZAICGQ-LJQANCHMSA-N 3 2 344.547 3.290 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Nc3cccc(C)[nH+]3)C2)cc(OC)c1 ZINC000157940245 455251369 /nfs/dbraw/zinc/25/13/69/455251369.db2.gz SUZBQQJJWIQJFU-MRXNPFEDSA-N 2 2 327.428 3.094 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Nc3cccc(C)[nH+]3)C2)cc(OC)c1 ZINC000157940245 455251370 /nfs/dbraw/zinc/25/13/70/455251370.db2.gz SUZBQQJJWIQJFU-MRXNPFEDSA-N 2 2 327.428 3.094 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241644378 455268698 /nfs/dbraw/zinc/26/86/98/455268698.db2.gz PQGFRBYONUTSSS-CRAIPNDOSA-N 2 2 338.854 3.408 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC2=CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241644378 455268704 /nfs/dbraw/zinc/26/87/04/455268704.db2.gz PQGFRBYONUTSSS-CRAIPNDOSA-N 2 2 338.854 3.408 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623469825 460566253 /nfs/dbraw/zinc/56/62/53/460566253.db2.gz SGELVUAVVUJKME-OAHLLOKOSA-N 2 2 335.455 3.273 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451924 455304834 /nfs/dbraw/zinc/30/48/34/455304834.db2.gz PXXYHVBYJSBMPV-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451924 455304839 /nfs/dbraw/zinc/30/48/39/455304839.db2.gz PXXYHVBYJSBMPV-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451924 455304843 /nfs/dbraw/zinc/30/48/43/455304843.db2.gz PXXYHVBYJSBMPV-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000245451924 455304850 /nfs/dbraw/zinc/30/48/50/455304850.db2.gz PXXYHVBYJSBMPV-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C)CCO)cc3)[nH+]c12 ZINC000265646981 455355122 /nfs/dbraw/zinc/35/51/22/455355122.db2.gz LKLPGGPNZAAPCC-MRXNPFEDSA-N 2 2 339.439 3.082 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)O[C@@H](C)C2 ZINC000245716237 455363125 /nfs/dbraw/zinc/36/31/25/455363125.db2.gz HACVIDPSUYUPKS-IRXDYDNUSA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c1)O[C@@H](C)C2 ZINC000245716237 455363130 /nfs/dbraw/zinc/36/31/30/455363130.db2.gz HACVIDPSUYUPKS-IRXDYDNUSA-N 2 2 344.499 3.326 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)Cc3cn4ccccc4[nH+]3)c2C1 ZINC000066514540 453849624 /nfs/dbraw/zinc/84/96/24/453849624.db2.gz JGQGLWYHVYCHJK-UHFFFAOYSA-N 2 2 334.423 3.241 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)Cc3cn4ccccc4[nH+]3)c2C1 ZINC000066514540 453849626 /nfs/dbraw/zinc/84/96/26/453849626.db2.gz JGQGLWYHVYCHJK-UHFFFAOYSA-N 2 2 334.423 3.241 20 0 EGADLP c1cnn(Cc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2)c1 ZINC000053150404 453861648 /nfs/dbraw/zinc/86/16/48/453861648.db2.gz QTBHISVNSCPKLH-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CCCOc1c(Cl)cc(C[NH+]2CCC([NH3+])CC2)cc1OCC ZINC000032087726 453864176 /nfs/dbraw/zinc/86/41/76/453864176.db2.gz HGDYLBWEKJYQLH-UHFFFAOYSA-N 2 2 326.868 3.451 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572716 453890006 /nfs/dbraw/zinc/89/00/06/453890006.db2.gz FYEGJXWEZLIVBM-QGZVFWFLSA-N 2 2 339.483 3.442 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572716 453890009 /nfs/dbraw/zinc/89/00/09/453890009.db2.gz FYEGJXWEZLIVBM-QGZVFWFLSA-N 2 2 339.483 3.442 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572716 453890014 /nfs/dbraw/zinc/89/00/14/453890014.db2.gz FYEGJXWEZLIVBM-QGZVFWFLSA-N 2 2 339.483 3.442 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000081572716 453890016 /nfs/dbraw/zinc/89/00/16/453890016.db2.gz FYEGJXWEZLIVBM-QGZVFWFLSA-N 2 2 339.483 3.442 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075551439 453903662 /nfs/dbraw/zinc/90/36/62/453903662.db2.gz LMQMDIMAHXZSQY-SFHVURJKSA-N 2 2 340.471 3.271 20 0 EGADLP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)Cn1cc[nH+]c1 ZINC000081797506 453909527 /nfs/dbraw/zinc/90/95/27/453909527.db2.gz CSEVTDPTDMSJCM-OAHLLOKOSA-N 2 2 335.411 3.088 20 0 EGADLP [NH3+]CCC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034516091 453919230 /nfs/dbraw/zinc/91/92/30/453919230.db2.gz SFSXGZHSQAOICW-UHFFFAOYSA-N 2 2 345.437 3.021 20 0 EGADLP [NH3+]CCCN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000034516091 453919234 /nfs/dbraw/zinc/91/92/34/453919234.db2.gz SFSXGZHSQAOICW-UHFFFAOYSA-N 2 2 345.437 3.021 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037117283 453933585 /nfs/dbraw/zinc/93/35/85/453933585.db2.gz PMBZPZOSEZKYIA-UHFFFAOYSA-N 2 2 341.293 3.420 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000075861209 453933879 /nfs/dbraw/zinc/93/38/79/453933879.db2.gz IKINEAMZUAHTSF-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(C)c1 ZINC000075861209 453933881 /nfs/dbraw/zinc/93/38/81/453933881.db2.gz IKINEAMZUAHTSF-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000075861209 453933882 /nfs/dbraw/zinc/93/38/82/453933882.db2.gz IKINEAMZUAHTSF-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000075861209 453933884 /nfs/dbraw/zinc/93/38/84/453933884.db2.gz IKINEAMZUAHTSF-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP CCc1cnc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000076108864 453965551 /nfs/dbraw/zinc/96/55/51/453965551.db2.gz XUYCFEJDRBPLEF-UHFFFAOYSA-N 2 2 328.460 3.371 20 0 EGADLP CCc1cnc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000076108864 453965556 /nfs/dbraw/zinc/96/55/56/453965556.db2.gz XUYCFEJDRBPLEF-UHFFFAOYSA-N 2 2 328.460 3.371 20 0 EGADLP COc1cccc2c(N3CCN(c4cccc[nH+]4)CC3)cc(C)[nH+]c12 ZINC000041478609 453968488 /nfs/dbraw/zinc/96/84/88/453968488.db2.gz FPGFJWAQXYCVBI-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000085688047 454036718 /nfs/dbraw/zinc/03/67/18/454036718.db2.gz DEBPRLCFKYGXKL-IERDGZPVSA-N 2 2 348.450 3.331 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000085688047 454036719 /nfs/dbraw/zinc/03/67/19/454036719.db2.gz DEBPRLCFKYGXKL-IERDGZPVSA-N 2 2 348.450 3.331 20 0 EGADLP CC(C)COC(=O)N1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000089146702 454125171 /nfs/dbraw/zinc/12/51/71/454125171.db2.gz FEIXVELGBVBRNE-UHFFFAOYSA-N 2 2 348.491 3.120 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000089537165 454160202 /nfs/dbraw/zinc/16/02/02/454160202.db2.gz QWOGFXPDWIVEAT-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000089537165 454160205 /nfs/dbraw/zinc/16/02/05/454160205.db2.gz QWOGFXPDWIVEAT-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000089537165 454160207 /nfs/dbraw/zinc/16/02/07/454160207.db2.gz QWOGFXPDWIVEAT-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000089537165 454160209 /nfs/dbraw/zinc/16/02/09/454160209.db2.gz QWOGFXPDWIVEAT-RHSMWYFYSA-N 2 2 335.879 3.003 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000058264094 454175420 /nfs/dbraw/zinc/17/54/20/454175420.db2.gz ZECTZPSTAVZCNQ-SFHVURJKSA-N 2 2 327.815 3.349 20 0 EGADLP Cc1nccc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000078295012 454225350 /nfs/dbraw/zinc/22/53/50/454225350.db2.gz CZWAHSGMSJJLSO-UHFFFAOYSA-N 2 2 325.460 3.307 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000120302593 454284036 /nfs/dbraw/zinc/28/40/36/454284036.db2.gz UXFGZWLPUHGSTF-INIZCTEOSA-N 2 2 328.416 3.332 20 0 EGADLP Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000090224767 454294925 /nfs/dbraw/zinc/29/49/25/454294925.db2.gz KWXJCBOKTJYHKT-FZKQIMNGSA-N 2 2 336.443 3.266 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cscn2)C[C@H](C)O1 ZINC000060526887 454298468 /nfs/dbraw/zinc/29/84/68/454298468.db2.gz ARPKKKALYAQEFT-GASCZTMLSA-N 2 2 331.485 3.042 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cscn2)C[C@H](C)O1 ZINC000060526887 454298471 /nfs/dbraw/zinc/29/84/71/454298471.db2.gz ARPKKKALYAQEFT-GASCZTMLSA-N 2 2 331.485 3.042 20 0 EGADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1cccs1 ZINC000060831310 454315530 /nfs/dbraw/zinc/31/55/30/454315530.db2.gz NQPAPVAWPLNJLQ-UHFFFAOYSA-N 2 2 343.452 3.322 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000090846880 454344887 /nfs/dbraw/zinc/34/48/87/454344887.db2.gz ZSBDZMRLCWZNGS-OAHLLOKOSA-N 2 2 325.412 3.240 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[NH+]1CCC(C)CC1)O[C@H](C)C2 ZINC000061558367 454346065 /nfs/dbraw/zinc/34/60/65/454346065.db2.gz PSXAARHWXCBLLH-MRXNPFEDSA-N 2 2 332.488 3.230 20 0 EGADLP FC(F)Oc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121359105 454425449 /nfs/dbraw/zinc/42/54/49/454425449.db2.gz XRWAIFIAPKNOAC-UHFFFAOYSA-N 2 2 333.382 3.442 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000133547717 454438780 /nfs/dbraw/zinc/43/87/80/454438780.db2.gz SCWXZBIAZUSEAU-HNNXBMFYSA-N 2 2 325.859 3.085 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000133547717 454438785 /nfs/dbraw/zinc/43/87/85/454438785.db2.gz SCWXZBIAZUSEAU-HNNXBMFYSA-N 2 2 325.859 3.085 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143789 454461685 /nfs/dbraw/zinc/46/16/85/454461685.db2.gz KDTDGGXCXCOJIC-KSSFIOAISA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143789 454461688 /nfs/dbraw/zinc/46/16/88/454461688.db2.gz KDTDGGXCXCOJIC-KSSFIOAISA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144411 454461758 /nfs/dbraw/zinc/46/17/58/454461758.db2.gz DQAUMJNNWMWASI-RDTXWAMCSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000098144411 454461761 /nfs/dbraw/zinc/46/17/61/454461761.db2.gz DQAUMJNNWMWASI-RDTXWAMCSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000098144487 454462030 /nfs/dbraw/zinc/46/20/30/454462030.db2.gz SDRVAHFWTSNEBX-GDBMZVCRSA-N 2 2 342.430 3.031 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000098144486 454462457 /nfs/dbraw/zinc/46/24/57/454462457.db2.gz SDRVAHFWTSNEBX-HOCLYGCPSA-N 2 2 342.430 3.031 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000121795235 454477653 /nfs/dbraw/zinc/47/76/53/454477653.db2.gz DJEZSZHZFKVIPY-KBXCAEBGSA-N 2 2 325.412 3.216 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121818032 454481387 /nfs/dbraw/zinc/48/13/87/454481387.db2.gz UIXZZJADXNUJIY-FQEVSTJZSA-N 3 2 329.532 3.015 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121818032 454481394 /nfs/dbraw/zinc/48/13/94/454481394.db2.gz UIXZZJADXNUJIY-FQEVSTJZSA-N 3 2 329.532 3.015 20 0 EGADLP Clc1ccc(-n2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000048685813 454507120 /nfs/dbraw/zinc/50/71/20/454507120.db2.gz MQVHDKQIJRBROT-UHFFFAOYSA-N 2 2 330.863 3.242 20 0 EGADLP CCOc1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)nn1CC(C)C ZINC000092071380 454516049 /nfs/dbraw/zinc/51/60/49/454516049.db2.gz XDXFFPQBFAEJRU-MRXNPFEDSA-N 2 2 345.491 3.349 20 0 EGADLP CCOc1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)nn1CC(C)C ZINC000092071380 454516053 /nfs/dbraw/zinc/51/60/53/454516053.db2.gz XDXFFPQBFAEJRU-MRXNPFEDSA-N 2 2 345.491 3.349 20 0 EGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000074225875 454547323 /nfs/dbraw/zinc/54/73/23/454547323.db2.gz QOFYWKFHMNZDHY-UHFFFAOYSA-N 2 2 341.390 3.360 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246244105 455456408 /nfs/dbraw/zinc/45/64/08/455456408.db2.gz VFTUFGKBESOFRM-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246244105 455456412 /nfs/dbraw/zinc/45/64/12/455456412.db2.gz VFTUFGKBESOFRM-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122852829 454575418 /nfs/dbraw/zinc/57/54/18/454575418.db2.gz MNIJSVWBLIGTNG-MAUKXSAKSA-N 2 2 340.471 3.276 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122852829 454575422 /nfs/dbraw/zinc/57/54/22/454575422.db2.gz MNIJSVWBLIGTNG-MAUKXSAKSA-N 2 2 340.471 3.276 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122862106 454575897 /nfs/dbraw/zinc/57/58/97/454575897.db2.gz QILUZSZNQDOEBB-WMLDXEAASA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122862106 454575901 /nfs/dbraw/zinc/57/59/01/454575901.db2.gz QILUZSZNQDOEBB-WMLDXEAASA-N 2 2 346.862 3.367 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000123023541 454593627 /nfs/dbraw/zinc/59/36/27/454593627.db2.gz IOLHOJHHOKQXCI-MSOLQXFVSA-N 2 2 334.508 3.195 20 0 EGADLP c1coc(-c2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)no2)c1 ZINC000134878280 454602644 /nfs/dbraw/zinc/60/26/44/454602644.db2.gz YDTRWJZGDUVOJV-PBHICJAKSA-N 2 2 327.428 3.383 20 0 EGADLP c1coc(-c2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)no2)c1 ZINC000134878280 454602647 /nfs/dbraw/zinc/60/26/47/454602647.db2.gz YDTRWJZGDUVOJV-PBHICJAKSA-N 2 2 327.428 3.383 20 0 EGADLP c1coc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)no2)c1 ZINC000134878280 454602651 /nfs/dbraw/zinc/60/26/51/454602651.db2.gz YDTRWJZGDUVOJV-PBHICJAKSA-N 2 2 327.428 3.383 20 0 EGADLP c1coc(-c2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)no2)c1 ZINC000134878280 454602653 /nfs/dbraw/zinc/60/26/53/454602653.db2.gz YDTRWJZGDUVOJV-PBHICJAKSA-N 2 2 327.428 3.383 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)CC3 ZINC000123219574 454617032 /nfs/dbraw/zinc/61/70/32/454617032.db2.gz SZTFZWMBCYQBKW-KGLIPLIRSA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)CC3 ZINC000123219574 454617033 /nfs/dbraw/zinc/61/70/33/454617033.db2.gz SZTFZWMBCYQBKW-KGLIPLIRSA-N 2 2 327.472 3.106 20 0 EGADLP COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123446236 454637796 /nfs/dbraw/zinc/63/77/96/454637796.db2.gz LCDAZLGFFYHYBY-GOSISDBHSA-N 2 2 336.451 3.094 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972746 454662929 /nfs/dbraw/zinc/66/29/29/454662929.db2.gz KUUNKAAADFAYGJ-ZWKOTPCHSA-N 2 2 340.471 3.199 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080972746 454662933 /nfs/dbraw/zinc/66/29/33/454662933.db2.gz KUUNKAAADFAYGJ-ZWKOTPCHSA-N 2 2 340.471 3.199 20 0 EGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(C4CC4)n3)CC2)C[C@@H](C)O1 ZINC000135345333 454667142 /nfs/dbraw/zinc/66/71/42/454667142.db2.gz QTOMEKVNYNXQEU-HUUCEWRRSA-N 2 2 349.544 3.342 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000093299812 454700676 /nfs/dbraw/zinc/70/06/76/454700676.db2.gz JJLBGHSHEMQHQY-QGZVFWFLSA-N 2 2 345.487 3.022 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]CCCCNc3cccc[nH+]3)c(C)n2n1 ZINC000093404790 454712422 /nfs/dbraw/zinc/71/24/22/454712422.db2.gz JKEQHVAKEYXDJO-OAHLLOKOSA-N 2 2 338.459 3.284 20 0 EGADLP CN(c1ccccc1C[N@H+](C)Cc1nccs1)C1CC[NH+](C)CC1 ZINC000093582508 454720628 /nfs/dbraw/zinc/72/06/28/454720628.db2.gz CGYMWSYVVDJDJE-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP CN(c1ccccc1C[N@@H+](C)Cc1nccs1)C1CC[NH+](C)CC1 ZINC000093582508 454720633 /nfs/dbraw/zinc/72/06/33/454720633.db2.gz CGYMWSYVVDJDJE-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152759675 454722634 /nfs/dbraw/zinc/72/26/34/454722634.db2.gz NEJHEDNIFPZSBR-INIZCTEOSA-N 2 2 343.471 3.138 20 0 EGADLP Cn1c(CCC[NH2+]Cc2ccc(-n3cccn3)cc2)[nH+]c2ccccc21 ZINC000124377465 454726432 /nfs/dbraw/zinc/72/64/32/454726432.db2.gz GMFSDYPTXPLMLY-UHFFFAOYSA-N 2 2 345.450 3.481 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683720 454728907 /nfs/dbraw/zinc/72/89/07/454728907.db2.gz AXKYYDVPCKLGND-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC)c1 ZINC000093683720 454728909 /nfs/dbraw/zinc/72/89/09/454728909.db2.gz AXKYYDVPCKLGND-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000124437292 454733403 /nfs/dbraw/zinc/73/34/03/454733403.db2.gz OZMQLMZHDRRVFP-UHFFFAOYSA-N 2 2 338.242 3.360 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000124437292 454733411 /nfs/dbraw/zinc/73/34/11/454733411.db2.gz OZMQLMZHDRRVFP-UHFFFAOYSA-N 2 2 338.242 3.360 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770711 454735415 /nfs/dbraw/zinc/73/54/15/454735415.db2.gz NOZSMAHGFKNUIH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770711 454735419 /nfs/dbraw/zinc/73/54/19/454735419.db2.gz NOZSMAHGFKNUIH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770711 454735422 /nfs/dbraw/zinc/73/54/22/454735422.db2.gz NOZSMAHGFKNUIH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000093770711 454735425 /nfs/dbraw/zinc/73/54/25/454735425.db2.gz NOZSMAHGFKNUIH-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000136736865 454755044 /nfs/dbraw/zinc/75/50/44/454755044.db2.gz AJUOTKDDSJZCLO-APWZRJJASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000136736865 454755048 /nfs/dbraw/zinc/75/50/48/454755048.db2.gz AJUOTKDDSJZCLO-APWZRJJASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000136736865 454755052 /nfs/dbraw/zinc/75/50/52/454755052.db2.gz AJUOTKDDSJZCLO-APWZRJJASA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000136736865 454755053 /nfs/dbraw/zinc/75/50/53/454755053.db2.gz AJUOTKDDSJZCLO-APWZRJJASA-N 2 2 346.446 3.061 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CCOCC1 ZINC000163042393 454819147 /nfs/dbraw/zinc/81/91/47/454819147.db2.gz BYULOZWRGOHUHN-MRXNPFEDSA-N 2 2 326.550 3.143 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2Br)CC1 ZINC000163146563 454825855 /nfs/dbraw/zinc/82/58/55/454825855.db2.gz JZIQDMMNJXHCAX-UHFFFAOYSA-N 2 2 327.266 3.032 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000125497362 454826600 /nfs/dbraw/zinc/82/66/00/454826600.db2.gz NCAUGFFLBZUOPS-GOSISDBHSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000125497362 454826604 /nfs/dbraw/zinc/82/66/04/454826604.db2.gz NCAUGFFLBZUOPS-GOSISDBHSA-N 2 2 335.398 3.323 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000153748094 454828725 /nfs/dbraw/zinc/82/87/25/454828725.db2.gz CHIVEVFLASXBDM-LBPRGKRZSA-N 2 2 347.272 3.207 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000153748094 454828731 /nfs/dbraw/zinc/82/87/31/454828731.db2.gz CHIVEVFLASXBDM-LBPRGKRZSA-N 2 2 347.272 3.207 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000163239592 454832815 /nfs/dbraw/zinc/83/28/15/454832815.db2.gz FAPXZPGYVLJTOU-GCGJSEPQSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000163239592 454832822 /nfs/dbraw/zinc/83/28/22/454832822.db2.gz FAPXZPGYVLJTOU-GCGJSEPQSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000163239592 454832829 /nfs/dbraw/zinc/83/28/29/454832829.db2.gz FAPXZPGYVLJTOU-GCGJSEPQSA-N 3 2 329.532 3.358 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150796265 454893710 /nfs/dbraw/zinc/89/37/10/454893710.db2.gz ZQVITMUBXNVRBC-RTBURBONSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150796265 454893713 /nfs/dbraw/zinc/89/37/13/454893713.db2.gz ZQVITMUBXNVRBC-RTBURBONSA-N 2 2 343.515 3.357 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000177707792 454894514 /nfs/dbraw/zinc/89/45/14/454894514.db2.gz IXSZJZDOYOLDFW-GOSISDBHSA-N 2 2 327.403 3.039 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC[NH2+]CC1 ZINC000166942390 454917574 /nfs/dbraw/zinc/91/75/74/454917574.db2.gz BLDNXZVQRIJIPQ-UHFFFAOYSA-N 2 2 331.803 3.465 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177904626 454917853 /nfs/dbraw/zinc/91/78/53/454917853.db2.gz YLRGEBWJAKLGAU-RDTXWAMCSA-N 2 2 336.439 3.439 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177904626 454917857 /nfs/dbraw/zinc/91/78/57/454917857.db2.gz YLRGEBWJAKLGAU-RDTXWAMCSA-N 2 2 336.439 3.439 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154741713 454925369 /nfs/dbraw/zinc/92/53/69/454925369.db2.gz AKNOBVDXCSMBQV-PMACEKPBSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154741713 454925372 /nfs/dbraw/zinc/92/53/72/454925372.db2.gz AKNOBVDXCSMBQV-PMACEKPBSA-N 2 2 349.563 3.077 20 0 EGADLP c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000178092838 454934501 /nfs/dbraw/zinc/93/45/01/454934501.db2.gz ILWYNDXVHONTHW-UHFFFAOYSA-N 2 2 334.467 3.360 20 0 EGADLP C[N@H+](CC(=O)NCCC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480722 454956816 /nfs/dbraw/zinc/95/68/16/454956816.db2.gz JZRTUALDCWEARD-UHFFFAOYSA-N 2 2 345.531 3.135 20 0 EGADLP C[N@@H+](CC(=O)NCCC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480722 454956819 /nfs/dbraw/zinc/95/68/19/454956819.db2.gz JZRTUALDCWEARD-UHFFFAOYSA-N 2 2 345.531 3.135 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000155731000 455037928 /nfs/dbraw/zinc/03/79/28/455037928.db2.gz KODOLKIFLZWCMD-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000155731000 455037931 /nfs/dbraw/zinc/03/79/31/455037931.db2.gz KODOLKIFLZWCMD-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP O=C(CCC[NH2+]Cc1cccc2[nH+]ccn21)Nc1ccc(Cl)cc1 ZINC000179419592 455046238 /nfs/dbraw/zinc/04/62/38/455046238.db2.gz GEVYKLQWSYISMS-UHFFFAOYSA-N 2 2 342.830 3.496 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000179476330 455050222 /nfs/dbraw/zinc/05/02/22/455050222.db2.gz KFQXHLNMAQDQRB-WFASDCNBSA-N 2 2 335.249 3.124 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179482246 455051301 /nfs/dbraw/zinc/05/13/01/455051301.db2.gz NERDVHZHBKTPJG-QAPCUYQASA-N 2 2 327.428 3.048 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc([S@](C)=O)cc1 ZINC000152249688 455092625 /nfs/dbraw/zinc/09/26/25/455092625.db2.gz KUBXZAREVUFAHL-IZHWHUGBSA-N 2 2 339.464 3.461 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156302454 455102358 /nfs/dbraw/zinc/10/23/58/455102358.db2.gz CKJUXUOREVNTMS-FEAKQIBJSA-N 2 2 349.438 3.288 20 0 EGADLP Cc1ccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000129393986 455109416 /nfs/dbraw/zinc/10/94/16/455109416.db2.gz OBOZCZWLXNQPFV-GOSISDBHSA-N 2 2 334.529 3.050 20 0 EGADLP Cc1ccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000129393986 455109419 /nfs/dbraw/zinc/10/94/19/455109419.db2.gz OBOZCZWLXNQPFV-GOSISDBHSA-N 2 2 334.529 3.050 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118843158 455113710 /nfs/dbraw/zinc/11/37/10/455113710.db2.gz QIKQEUSAQABMSJ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118843158 455113716 /nfs/dbraw/zinc/11/37/16/455113716.db2.gz QIKQEUSAQABMSJ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118843158 455113719 /nfs/dbraw/zinc/11/37/19/455113719.db2.gz QIKQEUSAQABMSJ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cccc(Cl)c1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843158 455113724 /nfs/dbraw/zinc/11/37/24/455113724.db2.gz QIKQEUSAQABMSJ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000156487115 455124714 /nfs/dbraw/zinc/12/47/14/455124714.db2.gz QYFPOFMWUDJYJB-RHSMWYFYSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000156487115 455124717 /nfs/dbraw/zinc/12/47/17/455124717.db2.gz QYFPOFMWUDJYJB-RHSMWYFYSA-N 2 2 346.862 3.367 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000623657652 460666080 /nfs/dbraw/zinc/66/60/80/460666080.db2.gz VYPILWXCPLJYDZ-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000623657652 460666083 /nfs/dbraw/zinc/66/60/83/460666083.db2.gz VYPILWXCPLJYDZ-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180486239 455180103 /nfs/dbraw/zinc/18/01/03/455180103.db2.gz BZBTYLWREBMPAS-AWEZNQCLSA-N 2 2 332.517 3.437 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180486239 455180109 /nfs/dbraw/zinc/18/01/09/455180109.db2.gz BZBTYLWREBMPAS-AWEZNQCLSA-N 2 2 332.517 3.437 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417392 455293129 /nfs/dbraw/zinc/29/31/29/455293129.db2.gz FZROQMUBOQBNLU-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417392 455293130 /nfs/dbraw/zinc/29/31/30/455293130.db2.gz FZROQMUBOQBNLU-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417392 455293132 /nfs/dbraw/zinc/29/31/32/455293132.db2.gz FZROQMUBOQBNLU-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417392 455293133 /nfs/dbraw/zinc/29/31/33/455293133.db2.gz FZROQMUBOQBNLU-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CCNc3ccc4ccccc4n3)n2c1 ZINC000157477906 455198049 /nfs/dbraw/zinc/19/80/49/455198049.db2.gz YSANSIPHYUCEKV-UHFFFAOYSA-N 2 2 331.423 3.393 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000183350428 455280964 /nfs/dbraw/zinc/28/09/64/455280964.db2.gz DVOXONIUBFZFMI-HNAYVOBHSA-N 2 2 339.487 3.081 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Br ZINC000181075581 455284124 /nfs/dbraw/zinc/28/41/24/455284124.db2.gz VXSGCSPQZNNNTJ-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cccc1Br ZINC000181075581 455284128 /nfs/dbraw/zinc/28/41/28/455284128.db2.gz VXSGCSPQZNNNTJ-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437711 455299189 /nfs/dbraw/zinc/29/91/89/455299189.db2.gz RRGUMZMIBUWHMQ-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437711 455299193 /nfs/dbraw/zinc/29/91/93/455299193.db2.gz RRGUMZMIBUWHMQ-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437711 455299198 /nfs/dbraw/zinc/29/91/98/455299198.db2.gz RRGUMZMIBUWHMQ-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437711 455299201 /nfs/dbraw/zinc/29/92/01/455299201.db2.gz RRGUMZMIBUWHMQ-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245436657 455299493 /nfs/dbraw/zinc/29/94/93/455299493.db2.gz DKIZQCHZECJPCT-MJGOQNOKSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245436657 455299494 /nfs/dbraw/zinc/29/94/94/455299494.db2.gz DKIZQCHZECJPCT-MJGOQNOKSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245436657 455299500 /nfs/dbraw/zinc/29/95/00/455299500.db2.gz DKIZQCHZECJPCT-MJGOQNOKSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245436657 455299504 /nfs/dbraw/zinc/29/95/04/455299504.db2.gz DKIZQCHZECJPCT-MJGOQNOKSA-N 2 2 347.503 3.219 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245460253 455307778 /nfs/dbraw/zinc/30/77/78/455307778.db2.gz VQYINFXYAGYYPZ-AZUAARDMSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245460253 455307783 /nfs/dbraw/zinc/30/77/83/455307783.db2.gz VQYINFXYAGYYPZ-AZUAARDMSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245460253 455307787 /nfs/dbraw/zinc/30/77/87/455307787.db2.gz VQYINFXYAGYYPZ-AZUAARDMSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245460253 455307790 /nfs/dbraw/zinc/30/77/90/455307790.db2.gz VQYINFXYAGYYPZ-AZUAARDMSA-N 2 2 345.531 3.148 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245698932 455359585 /nfs/dbraw/zinc/35/95/85/455359585.db2.gz KZDFAUJNRYAMCZ-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245698932 455359590 /nfs/dbraw/zinc/35/95/90/455359590.db2.gz KZDFAUJNRYAMCZ-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788645 455381751 /nfs/dbraw/zinc/38/17/51/455381751.db2.gz QAMRAENPJYEFQA-LEWJYISDSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788645 455381755 /nfs/dbraw/zinc/38/17/55/455381755.db2.gz QAMRAENPJYEFQA-LEWJYISDSA-N 2 2 349.478 3.141 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3C[N@H+](CC(C)C)CCO3)oc21 ZINC000245900018 455394683 /nfs/dbraw/zinc/39/46/83/455394683.db2.gz NRHKJPPVGVPPFA-WBVHZDCISA-N 2 2 346.471 3.449 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H]3C[N@@H+](CC(C)C)CCO3)oc21 ZINC000245900018 455394686 /nfs/dbraw/zinc/39/46/86/455394686.db2.gz NRHKJPPVGVPPFA-WBVHZDCISA-N 2 2 346.471 3.449 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000182092803 455434434 /nfs/dbraw/zinc/43/44/34/455434434.db2.gz SKQVKQMLMFUQAQ-KRWDZBQOSA-N 2 2 349.482 3.275 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(-c2ccccc2)n1 ZINC000182092803 455434438 /nfs/dbraw/zinc/43/44/38/455434438.db2.gz SKQVKQMLMFUQAQ-KRWDZBQOSA-N 2 2 349.482 3.275 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246164002 455440049 /nfs/dbraw/zinc/44/00/49/455440049.db2.gz IBNIMTDPQYOBCM-HOTGVXAUSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246164002 455440052 /nfs/dbraw/zinc/44/00/52/455440052.db2.gz IBNIMTDPQYOBCM-HOTGVXAUSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246244167 455456092 /nfs/dbraw/zinc/45/60/92/455456092.db2.gz VGHMQIZIKYNABG-CVEARBPZSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246244167 455456095 /nfs/dbraw/zinc/45/60/95/455456095.db2.gz VGHMQIZIKYNABG-CVEARBPZSA-N 2 2 347.528 3.153 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cnn1C(C)C ZINC000191184072 455459910 /nfs/dbraw/zinc/45/99/10/455459910.db2.gz JHBZJPJKUMOGIC-MRXNPFEDSA-N 2 2 341.503 3.483 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266908169 455473467 /nfs/dbraw/zinc/47/34/67/455473467.db2.gz IHUDBRQRFBBVGJ-GOEBONIOSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266908169 455473470 /nfs/dbraw/zinc/47/34/70/455473470.db2.gz IHUDBRQRFBBVGJ-GOEBONIOSA-N 2 2 326.444 3.179 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CCO1 ZINC000606446110 460671473 /nfs/dbraw/zinc/67/14/73/460671473.db2.gz NINITLBZIGQGCR-YXXTWXSNSA-N 2 2 329.488 3.302 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247021435 455546173 /nfs/dbraw/zinc/54/61/73/455546173.db2.gz JPVCAQJDAPZOAS-XWSJACJDSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247021435 455546175 /nfs/dbraw/zinc/54/61/75/455546175.db2.gz JPVCAQJDAPZOAS-XWSJACJDSA-N 2 2 335.536 3.020 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247036983 455548933 /nfs/dbraw/zinc/54/89/33/455548933.db2.gz MOBAIEBYXOENFA-JRGCBEDISA-N 2 2 339.483 3.269 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247036983 455548935 /nfs/dbraw/zinc/54/89/35/455548935.db2.gz MOBAIEBYXOENFA-JRGCBEDISA-N 2 2 339.483 3.269 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247207818 455573064 /nfs/dbraw/zinc/57/30/64/455573064.db2.gz WUJFNBHVTFPXEF-OBKDMQGPSA-N 2 2 349.563 3.266 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247207818 455573069 /nfs/dbraw/zinc/57/30/69/455573069.db2.gz WUJFNBHVTFPXEF-OBKDMQGPSA-N 2 2 349.563 3.266 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000247231200 455576036 /nfs/dbraw/zinc/57/60/36/455576036.db2.gz YHTCCWQYTNAXIV-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)[C@@H](C)C1 ZINC000247231200 455576038 /nfs/dbraw/zinc/57/60/38/455576038.db2.gz YHTCCWQYTNAXIV-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247249647 455577690 /nfs/dbraw/zinc/57/76/90/455577690.db2.gz ZTBOBBWFKUYBKD-RBUKOAKNSA-N 2 2 343.515 3.378 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247249647 455577694 /nfs/dbraw/zinc/57/76/94/455577694.db2.gz ZTBOBBWFKUYBKD-RBUKOAKNSA-N 2 2 343.515 3.378 20 0 EGADLP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000247303705 455585988 /nfs/dbraw/zinc/58/59/88/455585988.db2.gz PPUYJPYFVMLKRB-CABCVRRESA-N 2 2 348.516 3.429 20 0 EGADLP CCO[C@H](C)c1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000247303705 455585990 /nfs/dbraw/zinc/58/59/90/455585990.db2.gz PPUYJPYFVMLKRB-CABCVRRESA-N 2 2 348.516 3.429 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674983 455593581 /nfs/dbraw/zinc/59/35/81/455593581.db2.gz ZIDZHKAXHLOEOG-NVXWUHKLSA-N 2 2 340.471 3.479 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccccc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674983 455593582 /nfs/dbraw/zinc/59/35/82/455593582.db2.gz ZIDZHKAXHLOEOG-NVXWUHKLSA-N 2 2 340.471 3.479 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC(C)C ZINC000185724338 455606066 /nfs/dbraw/zinc/60/60/66/455606066.db2.gz WNNAMRKBAQXQFP-GUXCAODWSA-N 2 2 332.488 3.376 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC(C)C ZINC000185724338 455606073 /nfs/dbraw/zinc/60/60/73/455606073.db2.gz WNNAMRKBAQXQFP-GUXCAODWSA-N 2 2 332.488 3.376 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185747892 455613080 /nfs/dbraw/zinc/61/30/80/455613080.db2.gz WUJSJCVRGNTMGC-LSDHHAIUSA-N 2 2 334.460 3.117 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185747892 455613085 /nfs/dbraw/zinc/61/30/85/455613085.db2.gz WUJSJCVRGNTMGC-LSDHHAIUSA-N 2 2 334.460 3.117 20 0 EGADLP CCc1ccc([C@H](C[NH2+]C2CCC(C(=O)OC)CC2)[NH+](C)C)cc1 ZINC000192437479 455615404 /nfs/dbraw/zinc/61/54/04/455615404.db2.gz ZATLYHFMLSZIAD-ACBHZAAOSA-N 2 2 332.488 3.173 20 0 EGADLP CCc1ccc([C@@H](C[NH2+]C2CCC(C(=O)OC)CC2)[NH+](C)C)cc1 ZINC000192437478 455615439 /nfs/dbraw/zinc/61/54/39/455615439.db2.gz ZATLYHFMLSZIAD-CTWPCTMYSA-N 2 2 332.488 3.173 20 0 EGADLP Cc1cnc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)s1 ZINC000277621861 455617042 /nfs/dbraw/zinc/61/70/42/455617042.db2.gz XESNRGDALPNRRR-UHFFFAOYSA-N 2 2 339.468 3.412 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C3CC(F)(F)C3)c[nH+]c12 ZINC000277656095 455625998 /nfs/dbraw/zinc/62/59/98/455625998.db2.gz NIKLKTBSFQKOIJ-UHFFFAOYSA-N 2 2 330.176 3.293 20 0 EGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)cn2c1 ZINC000284083730 455634307 /nfs/dbraw/zinc/63/43/07/455634307.db2.gz VFNGITPXXGRPNV-KRWDZBQOSA-N 2 2 349.482 3.353 20 0 EGADLP CC[NH+](CC)CCOCC[N@H+](Cc1cocn1)Cc1ccccc1 ZINC000277706028 455640194 /nfs/dbraw/zinc/64/01/94/455640194.db2.gz RQDGKMYLLXJWST-UHFFFAOYSA-N 2 2 331.460 3.035 20 0 EGADLP CC[NH+](CC)CCOCC[N@@H+](Cc1cocn1)Cc1ccccc1 ZINC000277706028 455640200 /nfs/dbraw/zinc/64/02/00/455640200.db2.gz RQDGKMYLLXJWST-UHFFFAOYSA-N 2 2 331.460 3.035 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000247809398 455647941 /nfs/dbraw/zinc/64/79/41/455647941.db2.gz UIFNMIVVBAQSRT-AEFFLSMTSA-N 2 2 346.519 3.167 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000247809398 455647944 /nfs/dbraw/zinc/64/79/44/455647944.db2.gz UIFNMIVVBAQSRT-AEFFLSMTSA-N 2 2 346.519 3.167 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)CCC2 ZINC000248026424 455671529 /nfs/dbraw/zinc/67/15/29/455671529.db2.gz PCNMNCWDWLIRRX-SOUVJXGZSA-N 2 2 337.533 3.172 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000248043545 455674990 /nfs/dbraw/zinc/67/49/90/455674990.db2.gz UHZFPUWBVFYILW-PBHICJAKSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000248043545 455674991 /nfs/dbraw/zinc/67/49/91/455674991.db2.gz UHZFPUWBVFYILW-PBHICJAKSA-N 2 2 342.430 3.295 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](O)C(F)(F)F ZINC000271538644 455677238 /nfs/dbraw/zinc/67/72/38/455677238.db2.gz QOAXYENENLPLJU-MXASKKJJSA-N 2 2 344.421 3.331 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H](O)C(F)(F)F ZINC000271538644 455677241 /nfs/dbraw/zinc/67/72/41/455677241.db2.gz QOAXYENENLPLJU-MXASKKJJSA-N 2 2 344.421 3.331 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(C)c2)CC1 ZINC000271719337 455733700 /nfs/dbraw/zinc/73/37/00/455733700.db2.gz CWKXYCRAOXQIND-OAHLLOKOSA-N 2 2 336.451 3.202 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268942141 455738686 /nfs/dbraw/zinc/73/86/86/455738686.db2.gz AKPNEVADVTWUSQ-AYOQOUSVSA-N 2 2 328.456 3.264 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268942141 455738690 /nfs/dbraw/zinc/73/86/90/455738690.db2.gz AKPNEVADVTWUSQ-AYOQOUSVSA-N 2 2 328.456 3.264 20 0 EGADLP CCCc1nc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470645 455758075 /nfs/dbraw/zinc/75/80/75/455758075.db2.gz UIXLVPTUNPKABC-WBVHZDCISA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1nc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470645 455758080 /nfs/dbraw/zinc/75/80/80/455758080.db2.gz UIXLVPTUNPKABC-WBVHZDCISA-N 2 2 339.549 3.322 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186456760 455772245 /nfs/dbraw/zinc/77/22/45/455772245.db2.gz KAJIJDZHRZPZIO-RXQRSOPUSA-N 2 2 332.488 3.389 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2cccc(C)c2)CC1 ZINC000271841890 455782737 /nfs/dbraw/zinc/78/27/37/455782737.db2.gz TXIGTRHGRXEUKC-UHFFFAOYSA-N 2 2 346.515 3.280 20 0 EGADLP Cc1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076022 455783519 /nfs/dbraw/zinc/78/35/19/455783519.db2.gz YMBPGGSAWTWQTN-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076022 455783524 /nfs/dbraw/zinc/78/35/24/455783524.db2.gz YMBPGGSAWTWQTN-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076022 455783528 /nfs/dbraw/zinc/78/35/28/455783528.db2.gz YMBPGGSAWTWQTN-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076022 455783532 /nfs/dbraw/zinc/78/35/32/455783532.db2.gz YMBPGGSAWTWQTN-FPOVZHCZSA-N 2 2 338.499 3.215 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]1 ZINC000278257970 455799906 /nfs/dbraw/zinc/79/99/06/455799906.db2.gz NJTZZJYSJLZWJS-TZMCWYRMSA-N 2 2 345.830 3.398 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1O ZINC000278295044 455809281 /nfs/dbraw/zinc/80/92/81/455809281.db2.gz CXLWLOZFVJZZNT-MAUKXSAKSA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1O ZINC000278295044 455809284 /nfs/dbraw/zinc/80/92/84/455809284.db2.gz CXLWLOZFVJZZNT-MAUKXSAKSA-N 2 2 332.488 3.328 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Cl)c1 ZINC000285265187 455814381 /nfs/dbraw/zinc/81/43/81/455814381.db2.gz XXFVTUFKVSALPS-DXJOGWAWSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Cl)c1 ZINC000285265187 455814385 /nfs/dbraw/zinc/81/43/85/455814385.db2.gz XXFVTUFKVSALPS-DXJOGWAWSA-N 2 2 349.906 3.074 20 0 EGADLP c1[nH]c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)nc1-c1ccccc1 ZINC000194243085 455819419 /nfs/dbraw/zinc/81/94/19/455819419.db2.gz ZJCBSKFEJQHXLB-UHFFFAOYSA-N 2 2 347.466 3.226 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)o1 ZINC000269344119 455840188 /nfs/dbraw/zinc/84/01/88/455840188.db2.gz HNORCWIWVCIGMH-UHFFFAOYSA-N 2 2 346.446 3.283 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)o1 ZINC000269344119 455840195 /nfs/dbraw/zinc/84/01/95/455840195.db2.gz HNORCWIWVCIGMH-UHFFFAOYSA-N 2 2 346.446 3.283 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000194534671 455855632 /nfs/dbraw/zinc/85/56/32/455855632.db2.gz ODYMTBMIUOWHQN-GASCZTMLSA-N 2 2 338.879 3.131 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000194534671 455855635 /nfs/dbraw/zinc/85/56/35/455855635.db2.gz ODYMTBMIUOWHQN-GASCZTMLSA-N 2 2 338.879 3.131 20 0 EGADLP CCCOc1c(Cl)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC ZINC000194534671 455855641 /nfs/dbraw/zinc/85/56/41/455855641.db2.gz ODYMTBMIUOWHQN-GASCZTMLSA-N 2 2 338.879 3.131 20 0 EGADLP CCCOc1c(Cl)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC ZINC000194534671 455855642 /nfs/dbraw/zinc/85/56/42/455855642.db2.gz ODYMTBMIUOWHQN-GASCZTMLSA-N 2 2 338.879 3.131 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)Cn1cc[nH+]c1 ZINC000272175078 455867166 /nfs/dbraw/zinc/86/71/66/455867166.db2.gz RDOSHZRYDZOHGZ-OAHLLOKOSA-N 2 2 329.444 3.264 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272206661 455876847 /nfs/dbraw/zinc/87/68/47/455876847.db2.gz POKJBDHGRDUCLU-DOTOQJQBSA-N 2 2 345.512 3.290 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272206661 455876854 /nfs/dbraw/zinc/87/68/54/455876854.db2.gz POKJBDHGRDUCLU-DOTOQJQBSA-N 2 2 345.512 3.290 20 0 EGADLP Cc1cc(C)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285616813 455882354 /nfs/dbraw/zinc/88/23/54/455882354.db2.gz JMADRJGKRHVYTM-OHSMVPPVSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1cc(C)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285616813 455882357 /nfs/dbraw/zinc/88/23/57/455882357.db2.gz JMADRJGKRHVYTM-OHSMVPPVSA-N 2 2 343.515 3.038 20 0 EGADLP COc1ccccc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272254927 455894127 /nfs/dbraw/zinc/89/41/27/455894127.db2.gz LADVBKDJKZZMBW-WBVHZDCISA-N 2 2 340.471 3.404 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1F ZINC000285696735 455898879 /nfs/dbraw/zinc/89/88/79/455898879.db2.gz ORULACCRVARWMO-UHFFFAOYSA-N 2 2 348.418 3.159 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1F ZINC000285696735 455898884 /nfs/dbraw/zinc/89/88/84/455898884.db2.gz ORULACCRVARWMO-UHFFFAOYSA-N 2 2 348.418 3.159 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1F ZINC000285696735 455898888 /nfs/dbraw/zinc/89/88/88/455898888.db2.gz ORULACCRVARWMO-UHFFFAOYSA-N 2 2 348.418 3.159 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000285714048 455902697 /nfs/dbraw/zinc/90/26/97/455902697.db2.gz PPVQFOACPIOFGE-UHFFFAOYSA-N 2 2 333.220 3.301 20 0 EGADLP CCc1ccc([C@H](CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000194958088 455905703 /nfs/dbraw/zinc/90/57/03/455905703.db2.gz BYLBFIULTKQQNA-VQTJNVASSA-N 2 2 349.482 3.349 20 0 EGADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261601397 455911282 /nfs/dbraw/zinc/91/12/82/455911282.db2.gz AKAMPWXPVNCCIE-LESCRADOSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261601397 455911288 /nfs/dbraw/zinc/91/12/88/455911288.db2.gz AKAMPWXPVNCCIE-LESCRADOSA-N 2 2 348.450 3.071 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CCO1 ZINC000296503722 455957407 /nfs/dbraw/zinc/95/74/07/455957407.db2.gz QEBWEAWUBLVAOZ-MRRJBJDNSA-N 2 2 346.862 3.356 20 0 EGADLP CCC[N@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000261848223 455958017 /nfs/dbraw/zinc/95/80/17/455958017.db2.gz ZPRWGGVHSMXEAB-CQSZACIVSA-N 2 2 328.403 3.261 20 0 EGADLP CCC[N@@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000261848223 455958019 /nfs/dbraw/zinc/95/80/19/455958019.db2.gz ZPRWGGVHSMXEAB-CQSZACIVSA-N 2 2 328.403 3.261 20 0 EGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cn1 ZINC000280380263 455959886 /nfs/dbraw/zinc/95/98/86/455959886.db2.gz KZWQPKUXKPSYGH-JSGCOSHPSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cn1 ZINC000280380263 455959883 /nfs/dbraw/zinc/95/98/83/455959883.db2.gz KZWQPKUXKPSYGH-JSGCOSHPSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)C[NH+]1CCOCC1 ZINC000270479384 455965444 /nfs/dbraw/zinc/96/54/44/455965444.db2.gz KLEHRKPJAPPYBU-RYUDHWBXSA-N 2 2 346.302 3.195 20 0 EGADLP c1[nH+]c2c(n1C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000296583026 455979872 /nfs/dbraw/zinc/97/98/72/455979872.db2.gz DZEOGCPISLLUBY-GOSISDBHSA-N 2 2 325.456 3.053 20 0 EGADLP c1[nH+]c2c(n1C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCCC2 ZINC000296583026 455979877 /nfs/dbraw/zinc/97/98/77/455979877.db2.gz DZEOGCPISLLUBY-GOSISDBHSA-N 2 2 325.456 3.053 20 0 EGADLP c1ccc(-c2noc([C@H]3CCCC[N@H+]3C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034329 455987924 /nfs/dbraw/zinc/98/79/24/455987924.db2.gz XNQZYLKWDCXQSP-DOTOQJQBSA-N 2 2 326.444 3.263 20 0 EGADLP c1ccc(-c2noc([C@H]3CCCC[N@@H+]3C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034329 455987925 /nfs/dbraw/zinc/98/79/25/455987925.db2.gz XNQZYLKWDCXQSP-DOTOQJQBSA-N 2 2 326.444 3.263 20 0 EGADLP COC(=O)c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000270636527 456002195 /nfs/dbraw/zinc/00/21/95/456002195.db2.gz IACGDNOQTVZZQZ-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000270636527 456002198 /nfs/dbraw/zinc/00/21/98/456002198.db2.gz IACGDNOQTVZZQZ-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[NH+](C)C)cc1 ZINC000272634961 456020639 /nfs/dbraw/zinc/02/06/39/456020639.db2.gz BAMFVMJFWCMPMO-GOSISDBHSA-N 2 2 344.528 3.313 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221784895 456043867 /nfs/dbraw/zinc/04/38/67/456043867.db2.gz BORYNHSKMVHMGN-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221784895 456043872 /nfs/dbraw/zinc/04/38/72/456043872.db2.gz BORYNHSKMVHMGN-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000280823372 456059984 /nfs/dbraw/zinc/05/99/84/456059984.db2.gz IXGURPGHWLKWHO-OAHLLOKOSA-N 2 2 344.330 3.152 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000280823372 456059989 /nfs/dbraw/zinc/05/99/89/456059989.db2.gz IXGURPGHWLKWHO-OAHLLOKOSA-N 2 2 344.330 3.152 20 0 EGADLP c1c[nH+]c([C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997603 456104876 /nfs/dbraw/zinc/10/48/76/456104876.db2.gz KLSCFFJIWPQSHZ-RTBURBONSA-N 2 2 339.487 3.281 20 0 EGADLP c1c[nH+]c([C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)c2cccnc2)[nH]1 ZINC000280997603 456104882 /nfs/dbraw/zinc/10/48/82/456104882.db2.gz KLSCFFJIWPQSHZ-RTBURBONSA-N 2 2 339.487 3.281 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000229505750 456129385 /nfs/dbraw/zinc/12/93/85/456129385.db2.gz HEGXDCCTTSFBAN-MRVPVSSYSA-N 2 2 325.172 3.165 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cscn1 ZINC000271197954 456167823 /nfs/dbraw/zinc/16/78/23/456167823.db2.gz YUFAFRHPDAHHGY-LSDHHAIUSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cscn1 ZINC000271197954 456167828 /nfs/dbraw/zinc/16/78/28/456167828.db2.gz YUFAFRHPDAHHGY-LSDHHAIUSA-N 2 2 331.485 3.215 20 0 EGADLP CCC[C@](C)(O)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000273074694 456168871 /nfs/dbraw/zinc/16/88/71/456168871.db2.gz JXKLNYQYLUOUSP-HNNXBMFYSA-N 2 2 340.265 3.046 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CCC([NH2+]C(C)C)CC1)OCCO2 ZINC000271208046 456173714 /nfs/dbraw/zinc/17/37/14/456173714.db2.gz ZIBFPSHEGFDXGY-UHFFFAOYSA-N 2 2 336.501 3.142 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000236910614 456199007 /nfs/dbraw/zinc/19/90/07/456199007.db2.gz KFVWCLNCGRETNF-KUHUBIRLSA-N 2 2 342.487 3.136 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263715623 456201241 /nfs/dbraw/zinc/20/12/41/456201241.db2.gz PYWIFOCKTGBWTI-UHFFFAOYSA-N 2 2 345.531 3.228 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263715623 456201250 /nfs/dbraw/zinc/20/12/50/456201250.db2.gz PYWIFOCKTGBWTI-UHFFFAOYSA-N 2 2 345.531 3.228 20 0 EGADLP CC(C)(C)c1cc(NCCC[NH+]2CCC(O)CC2)nc(C(C)(C)C)[nH+]1 ZINC000301747896 456205890 /nfs/dbraw/zinc/20/58/90/456205890.db2.gz ZPENIKXOMPVSFK-UHFFFAOYSA-N 2 2 348.535 3.330 20 0 EGADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1cc[nH+]c2cc(F)ccc21 ZINC000301769219 456209285 /nfs/dbraw/zinc/20/92/85/456209285.db2.gz JRMNVQCFHOJOPY-UHFFFAOYSA-N 2 2 331.435 3.169 20 0 EGADLP C[C@H](CNc1cc(NCC2CC2)[nH+]cn1)[N@@H+]1CCc2sccc2C1 ZINC000301806764 456219678 /nfs/dbraw/zinc/21/96/78/456219678.db2.gz CAQCVADEBSACRY-CYBMUJFWSA-N 2 2 343.500 3.219 20 0 EGADLP C[C@H](CNc1cc(NCC2CC2)[nH+]cn1)[N@H+]1CCc2sccc2C1 ZINC000301806764 456219683 /nfs/dbraw/zinc/21/96/83/456219683.db2.gz CAQCVADEBSACRY-CYBMUJFWSA-N 2 2 343.500 3.219 20 0 EGADLP c1c[nH+]c(C2CC[NH+](Cc3ccc4c(c3)OCCCCO4)CC2)[nH]1 ZINC000333540648 456231441 /nfs/dbraw/zinc/23/14/41/456231441.db2.gz KZOAYAPEQLMCES-UHFFFAOYSA-N 2 2 327.428 3.341 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(Cl)c1O ZINC000297486226 456233000 /nfs/dbraw/zinc/23/30/00/456233000.db2.gz SSWIMKBJFXSNCB-GOSISDBHSA-N 2 2 338.879 3.362 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(Cl)c1O ZINC000297486226 456233004 /nfs/dbraw/zinc/23/30/04/456233004.db2.gz SSWIMKBJFXSNCB-GOSISDBHSA-N 2 2 338.879 3.362 20 0 EGADLP Cc1cccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)c1 ZINC000301893200 456243267 /nfs/dbraw/zinc/24/32/67/456243267.db2.gz SGXDASIFYAHIPW-LJQANCHMSA-N 2 2 336.439 3.357 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)cc2[nH+]1 ZINC000620651030 460721136 /nfs/dbraw/zinc/72/11/36/460721136.db2.gz IHKXXAVSLIZSAO-IBGZPJMESA-N 2 2 348.450 3.461 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000263904379 456260567 /nfs/dbraw/zinc/26/05/67/456260567.db2.gz GDZRDEVOVGENOC-MSOLQXFVSA-N 2 2 345.512 3.160 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000263904379 456260572 /nfs/dbraw/zinc/26/05/72/456260572.db2.gz GDZRDEVOVGENOC-MSOLQXFVSA-N 2 2 345.512 3.160 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290223781 456270753 /nfs/dbraw/zinc/27/07/53/456270753.db2.gz RZEMMBSSYBZOCR-OAQYLSRUSA-N 2 2 342.458 3.389 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290223781 456270756 /nfs/dbraw/zinc/27/07/56/456270756.db2.gz RZEMMBSSYBZOCR-OAQYLSRUSA-N 2 2 342.458 3.389 20 0 EGADLP Cc1nc(NCc2ccccc2OCC[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000302032559 456272190 /nfs/dbraw/zinc/27/21/90/456272190.db2.gz CRVKGWKCWZIPIK-UHFFFAOYSA-N 2 2 340.471 3.216 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760526 456282403 /nfs/dbraw/zinc/28/24/03/456282403.db2.gz PWEWHKMWOQMMHC-NVXWUHKLSA-N 2 2 344.528 3.130 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760526 456282406 /nfs/dbraw/zinc/28/24/06/456282406.db2.gz PWEWHKMWOQMMHC-NVXWUHKLSA-N 2 2 344.528 3.130 20 0 EGADLP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760526 456282411 /nfs/dbraw/zinc/28/24/11/456282411.db2.gz PWEWHKMWOQMMHC-NVXWUHKLSA-N 2 2 344.528 3.130 20 0 EGADLP CCc1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000352763137 456285350 /nfs/dbraw/zinc/28/53/50/456285350.db2.gz GUVJHPGMYMPQRS-UHFFFAOYSA-N 2 2 331.504 3.016 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340175158 456292146 /nfs/dbraw/zinc/29/21/46/456292146.db2.gz JUQVFMWIUAFPPW-QUCCMNQESA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340175158 456292150 /nfs/dbraw/zinc/29/21/50/456292150.db2.gz JUQVFMWIUAFPPW-QUCCMNQESA-N 2 2 347.466 3.192 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683720 456304571 /nfs/dbraw/zinc/30/45/71/456304571.db2.gz ZQLARHAYJMHANG-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000347683720 456304577 /nfs/dbraw/zinc/30/45/77/456304577.db2.gz ZQLARHAYJMHANG-IEBWSBKVSA-N 2 2 331.504 3.339 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290368579 456307433 /nfs/dbraw/zinc/30/74/33/456307433.db2.gz HIDAKXGMSXPURX-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290368579 456307436 /nfs/dbraw/zinc/30/74/36/456307436.db2.gz HIDAKXGMSXPURX-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000290436557 456328548 /nfs/dbraw/zinc/32/85/48/456328548.db2.gz RYACXMCQMACYRR-GJZGRUSLSA-N 2 2 333.501 3.197 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000290436557 456328556 /nfs/dbraw/zinc/32/85/56/456328556.db2.gz RYACXMCQMACYRR-GJZGRUSLSA-N 2 2 333.501 3.197 20 0 EGADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000302250424 456329271 /nfs/dbraw/zinc/32/92/71/456329271.db2.gz MUBHPZDDNVDSKG-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000302250424 456329273 /nfs/dbraw/zinc/32/92/73/456329273.db2.gz MUBHPZDDNVDSKG-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)cn2c1 ZINC000290455595 456333502 /nfs/dbraw/zinc/33/35/02/456333502.db2.gz DYWLLUUWMMCMNG-UHFFFAOYSA-N 2 2 340.393 3.149 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc3c(c2)OCCO3)CC1 ZINC000290458142 456334540 /nfs/dbraw/zinc/33/45/40/456334540.db2.gz MVTZENOJZYPDJV-UHFFFAOYSA-N 2 2 342.439 3.147 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccc3c(c2)OCCO3)CC1 ZINC000290458142 456334548 /nfs/dbraw/zinc/33/45/48/456334548.db2.gz MVTZENOJZYPDJV-UHFFFAOYSA-N 2 2 342.439 3.147 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244450 456337448 /nfs/dbraw/zinc/33/74/48/456337448.db2.gz AMJWOCWQYIZFDS-UXHICEINSA-N 3 2 326.488 3.397 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244450 456337455 /nfs/dbraw/zinc/33/74/55/456337455.db2.gz AMJWOCWQYIZFDS-UXHICEINSA-N 3 2 326.488 3.397 20 0 EGADLP c1nc2ccccn2c1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822961 456338072 /nfs/dbraw/zinc/33/80/72/456338072.db2.gz IZEQUPWEZOBBLB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1nc2ccccn2c1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352822961 456338080 /nfs/dbraw/zinc/33/80/80/456338080.db2.gz IZEQUPWEZOBBLB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1nc2ccccn2c1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352822961 456338088 /nfs/dbraw/zinc/33/80/88/456338088.db2.gz IZEQUPWEZOBBLB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1nc2ccccn2c1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352822961 456338094 /nfs/dbraw/zinc/33/80/94/456338094.db2.gz IZEQUPWEZOBBLB-QFIPXVFZSA-N 2 2 346.478 3.432 20 0 EGADLP COc1sc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290548904 456360718 /nfs/dbraw/zinc/36/07/18/456360718.db2.gz RRTAXTRBZHNLKJ-MFKMUULPSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290548904 456360725 /nfs/dbraw/zinc/36/07/25/456360725.db2.gz RRTAXTRBZHNLKJ-MFKMUULPSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000290548904 456360733 /nfs/dbraw/zinc/36/07/33/456360733.db2.gz RRTAXTRBZHNLKJ-MFKMUULPSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000290548904 456360738 /nfs/dbraw/zinc/36/07/38/456360738.db2.gz RRTAXTRBZHNLKJ-MFKMUULPSA-N 2 2 347.322 3.291 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340298833 456371021 /nfs/dbraw/zinc/37/10/21/456371021.db2.gz QSIOUINACMNJRB-SLFFLAALSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340298833 456371029 /nfs/dbraw/zinc/37/10/29/456371029.db2.gz QSIOUINACMNJRB-SLFFLAALSA-N 2 2 328.431 3.284 20 0 EGADLP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298148330 456375440 /nfs/dbraw/zinc/37/54/40/456375440.db2.gz RIHNNFOZOFHFES-LJQANCHMSA-N 2 2 330.472 3.286 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000337558932 456380294 /nfs/dbraw/zinc/38/02/94/456380294.db2.gz UBASNUKKSLOPTD-IAGOWNOFSA-N 2 2 339.430 3.186 20 0 EGADLP COC(=O)c1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290613141 456383459 /nfs/dbraw/zinc/38/34/59/456383459.db2.gz WSBFCFFFWRDAGI-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290613141 456383468 /nfs/dbraw/zinc/38/34/68/456383468.db2.gz WSBFCFFFWRDAGI-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP Nc1[nH+]cnc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1Cl ZINC000302805431 456405027 /nfs/dbraw/zinc/40/50/27/456405027.db2.gz WPBVHTBYGIUTQL-UHFFFAOYSA-N 2 2 331.851 3.310 20 0 EGADLP Nc1nc[nH+]c(NCc2ccc(C[NH+]3CCCCC3)cc2)c1Cl ZINC000302805431 456405029 /nfs/dbraw/zinc/40/50/29/456405029.db2.gz WPBVHTBYGIUTQL-UHFFFAOYSA-N 2 2 331.851 3.310 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000352978625 456426374 /nfs/dbraw/zinc/42/63/74/456426374.db2.gz XNHGVKNJEBKMRI-ROUUACIJSA-N 2 2 333.495 3.125 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290778875 456427516 /nfs/dbraw/zinc/42/75/16/456427516.db2.gz SZLXMOTXQKSODY-HNNXBMFYSA-N 2 2 329.448 3.110 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290778875 456427523 /nfs/dbraw/zinc/42/75/23/456427523.db2.gz SZLXMOTXQKSODY-HNNXBMFYSA-N 2 2 329.448 3.110 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CCCC2 ZINC000340391187 456433560 /nfs/dbraw/zinc/43/35/60/456433560.db2.gz RZPRLHFWLPSOIE-PXNSSMCTSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1nc2c(c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CCCC2 ZINC000340391187 456433568 /nfs/dbraw/zinc/43/35/68/456433568.db2.gz RZPRLHFWLPSOIE-PXNSSMCTSA-N 2 2 338.499 3.224 20 0 EGADLP Cc1ccc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000302914392 456436606 /nfs/dbraw/zinc/43/66/06/456436606.db2.gz VBDHICNGFLZYCE-MRXNPFEDSA-N 2 2 341.459 3.227 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256735 456487771 /nfs/dbraw/zinc/48/77/71/456487771.db2.gz PXAYVWRVNNNWGM-WIYYLYMNSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000343256735 456487776 /nfs/dbraw/zinc/48/77/76/456487776.db2.gz PXAYVWRVNNNWGM-WIYYLYMNSA-N 3 2 329.532 3.348 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000291053082 456510946 /nfs/dbraw/zinc/51/09/46/456510946.db2.gz NNFXZLATHQEDND-MRXNPFEDSA-N 2 2 336.501 3.133 20 0 EGADLP CCN(C)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000348187009 456524609 /nfs/dbraw/zinc/52/46/09/456524609.db2.gz NVOXXGXZCCBDPR-UHFFFAOYSA-N 2 2 335.455 3.072 20 0 EGADLP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2c(F)cccc2Cl)CC1 ZINC000282662667 456585694 /nfs/dbraw/zinc/58/56/94/456585694.db2.gz MCYNEIRHGIGAAU-UHFFFAOYSA-N 2 2 341.902 3.327 20 0 EGADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2c(F)cccc2Cl)CC1 ZINC000282662667 456585703 /nfs/dbraw/zinc/58/57/03/456585703.db2.gz MCYNEIRHGIGAAU-UHFFFAOYSA-N 2 2 341.902 3.327 20 0 EGADLP CC[C@@]([NH2+]CCCCn1cc[nH+]c1C)(C(=O)OC)c1ccccc1 ZINC000348271211 456586804 /nfs/dbraw/zinc/58/68/04/456586804.db2.gz MIHHTGJYCHAOSZ-IBGZPJMESA-N 2 2 329.444 3.040 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@H]3c3ccnn3C(C)C)c[nH+]c12 ZINC000343405202 456598533 /nfs/dbraw/zinc/59/85/33/456598533.db2.gz ZZQPUQXELGEBRC-FUHWJXTLSA-N 2 2 339.443 3.040 20 0 EGADLP C[C@H]1[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000343442260 456625228 /nfs/dbraw/zinc/62/52/28/456625228.db2.gz MQRYIKMDUJDTJI-KSSFIOAISA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H]1[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000343442260 456625230 /nfs/dbraw/zinc/62/52/30/456625230.db2.gz MQRYIKMDUJDTJI-KSSFIOAISA-N 2 2 325.412 3.086 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025612 456657042 /nfs/dbraw/zinc/65/70/42/456657042.db2.gz ATEIRGKPIULHCB-RTBURBONSA-N 2 2 331.504 3.012 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025612 456657050 /nfs/dbraw/zinc/65/70/50/456657050.db2.gz ATEIRGKPIULHCB-RTBURBONSA-N 2 2 331.504 3.012 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(COC)n1 ZINC000348389004 456661121 /nfs/dbraw/zinc/66/11/21/456661121.db2.gz PZYMDJQFEURXTF-ZBFHGGJFSA-N 2 2 325.522 3.280 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794172 456673705 /nfs/dbraw/zinc/67/37/05/456673705.db2.gz MTKQZXFDGDPJRX-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794172 456673712 /nfs/dbraw/zinc/67/37/12/456673712.db2.gz MTKQZXFDGDPJRX-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP CC[N@H+](CCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CC1 ZINC000338170484 456680904 /nfs/dbraw/zinc/68/09/04/456680904.db2.gz JBMYPFSVEQXXLC-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP CC[N@@H+](CCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CC1 ZINC000338170484 456680910 /nfs/dbraw/zinc/68/09/10/456680910.db2.gz JBMYPFSVEQXXLC-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338175196 456684745 /nfs/dbraw/zinc/68/47/45/456684745.db2.gz HJBOYJZXHZLWJB-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338175196 456684751 /nfs/dbraw/zinc/68/47/51/456684751.db2.gz HJBOYJZXHZLWJB-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542006 456694879 /nfs/dbraw/zinc/69/48/79/456694879.db2.gz SZJBXKSSSSOVKI-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542006 456694882 /nfs/dbraw/zinc/69/48/82/456694882.db2.gz SZJBXKSSSSOVKI-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542006 456694886 /nfs/dbraw/zinc/69/48/86/456694886.db2.gz SZJBXKSSSSOVKI-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542006 456694892 /nfs/dbraw/zinc/69/48/92/456694892.db2.gz SZJBXKSSSSOVKI-WFASDCNBSA-N 2 2 326.282 3.149 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000283064757 456701750 /nfs/dbraw/zinc/70/17/50/456701750.db2.gz IMAICYSOBQINLE-INIZCTEOSA-N 2 2 332.835 3.468 20 0 EGADLP CC(C)C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000353503445 456720615 /nfs/dbraw/zinc/72/06/15/456720615.db2.gz VCXSDLBAOCFZTP-WMZOPIPTSA-N 2 2 342.487 3.224 20 0 EGADLP C[C@@H](C[N@H+](CCO)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000283160171 456725198 /nfs/dbraw/zinc/72/51/98/456725198.db2.gz CYARHYFHLODUQP-AWEZNQCLSA-N 2 2 344.421 3.197 20 0 EGADLP C[C@@H](C[N@@H+](CCO)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000283160171 456725209 /nfs/dbraw/zinc/72/52/09/456725209.db2.gz CYARHYFHLODUQP-AWEZNQCLSA-N 2 2 344.421 3.197 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343601991 456736511 /nfs/dbraw/zinc/73/65/11/456736511.db2.gz MXRQDKGJEAPVAW-QFUCXCTJSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)CC1CCCC1 ZINC000343601991 456736521 /nfs/dbraw/zinc/73/65/21/456736521.db2.gz MXRQDKGJEAPVAW-QFUCXCTJSA-N 2 2 345.531 3.070 20 0 EGADLP Cc1cccnc1C(C)(C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000353546288 456747774 /nfs/dbraw/zinc/74/77/74/456747774.db2.gz FXNQXANCMVMNNN-UHFFFAOYSA-N 2 2 338.499 3.317 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1C ZINC000353553486 456755159 /nfs/dbraw/zinc/75/51/59/456755159.db2.gz DWQCRXNTMHTONL-OAHLLOKOSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1C ZINC000353553486 456755163 /nfs/dbraw/zinc/75/51/63/456755163.db2.gz DWQCRXNTMHTONL-OAHLLOKOSA-N 2 2 348.443 3.483 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1C ZINC000353553486 456755172 /nfs/dbraw/zinc/75/51/72/456755172.db2.gz DWQCRXNTMHTONL-OAHLLOKOSA-N 2 2 348.443 3.483 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000338304790 456761767 /nfs/dbraw/zinc/76/17/67/456761767.db2.gz HRHIWDOGRSGHIA-KRWDZBQOSA-N 2 2 336.439 3.418 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(O)c2nc(C)ccc12 ZINC000338304790 456761776 /nfs/dbraw/zinc/76/17/76/456761776.db2.gz HRHIWDOGRSGHIA-KRWDZBQOSA-N 2 2 336.439 3.418 20 0 EGADLP CC[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000353572481 456773472 /nfs/dbraw/zinc/77/34/72/456773472.db2.gz SAOOEKNHCUCFDK-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000353572481 456773479 /nfs/dbraw/zinc/77/34/79/456773479.db2.gz SAOOEKNHCUCFDK-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1nncn1C ZINC000348714421 456825810 /nfs/dbraw/zinc/82/58/10/456825810.db2.gz YQUXUCXKNHSZCL-NJAFHUGGSA-N 2 2 333.524 3.145 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353658188 456835960 /nfs/dbraw/zinc/83/59/60/456835960.db2.gz PONHIFHTVDWVHB-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000353658188 456835966 /nfs/dbraw/zinc/83/59/66/456835966.db2.gz PONHIFHTVDWVHB-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCCN3C3CC3)CC2)cc1 ZINC000277519952 456851767 /nfs/dbraw/zinc/85/17/67/456851767.db2.gz SOFOTUPTLVMJJV-NRFANRHFSA-N 2 2 327.516 3.258 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341683783 456898387 /nfs/dbraw/zinc/89/83/87/456898387.db2.gz NAEKYMZAMXDOKS-PBHICJAKSA-N 2 2 338.879 3.254 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000341808906 456953867 /nfs/dbraw/zinc/95/38/67/456953867.db2.gz PYYANDNVNMCVQJ-HXUWFJFHSA-N 2 2 337.467 3.440 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c[nH+]1 ZINC000353933274 456970452 /nfs/dbraw/zinc/97/04/52/456970452.db2.gz ORRCNUVXEYPQCP-HXUWFJFHSA-N 2 2 337.467 3.276 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353948574 456976178 /nfs/dbraw/zinc/97/61/78/456976178.db2.gz VUIBGVPUJADGQG-RYUDHWBXSA-N 2 2 332.366 3.166 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353948574 456976181 /nfs/dbraw/zinc/97/61/81/456976181.db2.gz VUIBGVPUJADGQG-RYUDHWBXSA-N 2 2 332.366 3.166 20 0 EGADLP CCc1nocc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000339180035 456979733 /nfs/dbraw/zinc/97/97/33/456979733.db2.gz NCOVFUNDDQOZGP-HZPDHXFCSA-N 2 2 343.471 3.136 20 0 EGADLP CC[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000353982907 456989058 /nfs/dbraw/zinc/98/90/58/456989058.db2.gz IWFFCURRJUUDOB-ROUUACIJSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000353982907 456989062 /nfs/dbraw/zinc/98/90/62/456989062.db2.gz IWFFCURRJUUDOB-ROUUACIJSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000341906513 456994292 /nfs/dbraw/zinc/99/42/92/456994292.db2.gz YLLWYGBXPQYYAU-UHFFFAOYSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1ccccc1C[NH+]1CCN(Cc2c[nH+]c3cccc(C)n23)CC1 ZINC000349615709 456996667 /nfs/dbraw/zinc/99/66/67/456996667.db2.gz METZESUGQYDEHO-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000354025741 457017854 /nfs/dbraw/zinc/01/78/54/457017854.db2.gz IUKBVGTXHNXCQH-UKRRQHHQSA-N 2 2 329.469 3.316 20 0 EGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000354025741 457017856 /nfs/dbraw/zinc/01/78/56/457017856.db2.gz IUKBVGTXHNXCQH-UKRRQHHQSA-N 2 2 329.469 3.316 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000354039963 457027334 /nfs/dbraw/zinc/02/73/34/457027334.db2.gz VJYZTHNPBOJDHJ-KRWDZBQOSA-N 2 2 348.487 3.319 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000354039963 457027336 /nfs/dbraw/zinc/02/73/36/457027336.db2.gz VJYZTHNPBOJDHJ-KRWDZBQOSA-N 2 2 348.487 3.319 20 0 EGADLP Cc1cccn2c(CN3CC[NH+](CCc4ccccc4)CC3)c[nH+]c12 ZINC000349764346 457042943 /nfs/dbraw/zinc/04/29/43/457042943.db2.gz NHXRMSFUEDCCPI-UHFFFAOYSA-N 2 2 334.467 3.003 20 0 EGADLP c1cn(-c2ccc(CN3CC[NH+](CCc4ccccc4)CC3)cc2)c[nH+]1 ZINC000349765867 457043145 /nfs/dbraw/zinc/04/31/45/457043145.db2.gz UZXMJCNXHQHKDC-UHFFFAOYSA-N 2 2 346.478 3.233 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579840 457066641 /nfs/dbraw/zinc/06/66/41/457066641.db2.gz QSRAWBBKHAWNCH-RTBURBONSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579840 457066647 /nfs/dbraw/zinc/06/66/47/457066647.db2.gz QSRAWBBKHAWNCH-RTBURBONSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579840 457066653 /nfs/dbraw/zinc/06/66/53/457066653.db2.gz QSRAWBBKHAWNCH-RTBURBONSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000356579840 457066658 /nfs/dbraw/zinc/06/66/58/457066658.db2.gz QSRAWBBKHAWNCH-RTBURBONSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583251 457067082 /nfs/dbraw/zinc/06/70/82/457067082.db2.gz VHNCKALLSGVGIZ-YDIMBITNSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583251 457067087 /nfs/dbraw/zinc/06/70/87/457067087.db2.gz VHNCKALLSGVGIZ-YDIMBITNSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583251 457067091 /nfs/dbraw/zinc/06/70/91/457067091.db2.gz VHNCKALLSGVGIZ-YDIMBITNSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000356583251 457067094 /nfs/dbraw/zinc/06/70/94/457067094.db2.gz VHNCKALLSGVGIZ-YDIMBITNSA-N 2 2 348.556 3.381 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000356592658 457073645 /nfs/dbraw/zinc/07/36/45/457073645.db2.gz DYTHIHYXNLZIJD-INIZCTEOSA-N 2 2 328.460 3.031 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000356592658 457073650 /nfs/dbraw/zinc/07/36/50/457073650.db2.gz DYTHIHYXNLZIJD-INIZCTEOSA-N 2 2 328.460 3.031 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354121530 457077986 /nfs/dbraw/zinc/07/79/86/457077986.db2.gz STPJBZQIMJVKTC-DOTOQJQBSA-N 2 2 335.517 3.302 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354121530 457077990 /nfs/dbraw/zinc/07/79/90/457077990.db2.gz STPJBZQIMJVKTC-DOTOQJQBSA-N 2 2 335.517 3.302 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521633 457090593 /nfs/dbraw/zinc/09/05/93/457090593.db2.gz DLTZYQMKNJISLV-VQTJNVASSA-N 2 2 334.504 3.483 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521633 457090600 /nfs/dbraw/zinc/09/06/00/457090600.db2.gz DLTZYQMKNJISLV-VQTJNVASSA-N 2 2 334.504 3.483 20 0 EGADLP Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc(C2CC2)[nH+]1 ZINC000346660659 457098891 /nfs/dbraw/zinc/09/88/91/457098891.db2.gz URCCEXSNBZAVPF-INIZCTEOSA-N 2 2 326.444 3.316 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000339428170 457111946 /nfs/dbraw/zinc/11/19/46/457111946.db2.gz NWHVUCXRCVATJH-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Br)cs3)C2)C1 ZINC000339428170 457111952 /nfs/dbraw/zinc/11/19/52/457111952.db2.gz NWHVUCXRCVATJH-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Br)cs3)C2)C1 ZINC000339428170 457111957 /nfs/dbraw/zinc/11/19/57/457111957.db2.gz NWHVUCXRCVATJH-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000339428170 457111964 /nfs/dbraw/zinc/11/19/64/457111964.db2.gz NWHVUCXRCVATJH-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000342129076 457124379 /nfs/dbraw/zinc/12/43/79/457124379.db2.gz NCLKZYRYBHMLPO-PSOPSSQASA-N 2 2 339.270 3.200 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000342129076 457124386 /nfs/dbraw/zinc/12/43/86/457124386.db2.gz NCLKZYRYBHMLPO-PSOPSSQASA-N 2 2 339.270 3.200 20 0 EGADLP c1cn2c(cccc2C[NH2+]CCc2nc(-c3ccncc3)cs2)[nH+]1 ZINC000354289316 457175839 /nfs/dbraw/zinc/17/58/39/457175839.db2.gz IXYSFLXBEGKQBP-UHFFFAOYSA-N 2 2 335.436 3.185 20 0 EGADLP COC1(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCCCC1 ZINC000359977283 457181029 /nfs/dbraw/zinc/18/10/29/457181029.db2.gz RTGCMBPMBCMIKN-UHFFFAOYSA-N 2 2 327.472 3.413 20 0 EGADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356836565 457182047 /nfs/dbraw/zinc/18/20/47/457182047.db2.gz BRMXTODRTPWFFK-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000356836565 457182052 /nfs/dbraw/zinc/18/20/52/457182052.db2.gz BRMXTODRTPWFFK-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000339660656 457198396 /nfs/dbraw/zinc/19/83/96/457198396.db2.gz IUOFPWWWJXRZRB-PMACEKPBSA-N 2 2 349.478 3.413 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000339660656 457198400 /nfs/dbraw/zinc/19/84/00/457198400.db2.gz IUOFPWWWJXRZRB-PMACEKPBSA-N 2 2 349.478 3.413 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354404659 457201120 /nfs/dbraw/zinc/20/11/20/457201120.db2.gz JENORZYZBTVDLP-QVHQYWGISA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354404659 457201129 /nfs/dbraw/zinc/20/11/29/457201129.db2.gz JENORZYZBTVDLP-QVHQYWGISA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354404657 457201162 /nfs/dbraw/zinc/20/11/62/457201162.db2.gz JENORZYZBTVDLP-AFKBCAQJSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000354404657 457201171 /nfs/dbraw/zinc/20/11/71/457201171.db2.gz JENORZYZBTVDLP-AFKBCAQJSA-N 2 2 344.499 3.217 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)s1 ZINC000342300858 457223429 /nfs/dbraw/zinc/22/34/29/457223429.db2.gz MLQITVJRZGQSAM-OAHLLOKOSA-N 2 2 339.892 3.071 20 0 EGADLP Cc1ccc(CCC[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c[nH+]1 ZINC000354467281 457242196 /nfs/dbraw/zinc/24/21/96/457242196.db2.gz RYGTUCILJVLFAG-UHFFFAOYSA-N 2 2 338.430 3.480 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1C ZINC000354486730 457252807 /nfs/dbraw/zinc/25/28/07/457252807.db2.gz BCIWIQLWCPJBPE-GTAWCEEGSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]1C ZINC000354486730 457252810 /nfs/dbraw/zinc/25/28/10/457252810.db2.gz BCIWIQLWCPJBPE-GTAWCEEGSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000354508375 457262285 /nfs/dbraw/zinc/26/22/85/457262285.db2.gz SKXVOGHZPIIZLC-UHFFFAOYSA-N 2 2 334.460 3.343 20 0 EGADLP Cn1c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)nc2ccc(Cl)cc21 ZINC000360168171 457285571 /nfs/dbraw/zinc/28/55/71/457285571.db2.gz JGOCYQJSOYCRMQ-UHFFFAOYSA-N 2 2 334.895 3.438 20 0 EGADLP C[N@H+](Cc1ccc(Cl)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347206820 457288691 /nfs/dbraw/zinc/28/86/91/457288691.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000347206820 457288699 /nfs/dbraw/zinc/28/86/99/457288699.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1ccc(Cl)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000347206820 457288706 /nfs/dbraw/zinc/28/87/06/457288706.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1ccc(Cl)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000347206820 457288710 /nfs/dbraw/zinc/28/87/10/457288710.db2.gz RVMZGIUHHBNQRF-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000357048523 457296725 /nfs/dbraw/zinc/29/67/25/457296725.db2.gz XGVKBUMJXVHBMB-SFHVURJKSA-N 2 2 341.434 3.224 20 0 EGADLP CCC(C)(C)c1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000352016276 457331083 /nfs/dbraw/zinc/33/10/83/457331083.db2.gz WDXYIHXEHMZCRU-UHFFFAOYSA-N 2 2 326.488 3.415 20 0 EGADLP CC(C)c1nc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc[nH+]1 ZINC000347299090 457339812 /nfs/dbraw/zinc/33/98/12/457339812.db2.gz YETJGINOXFEWEE-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447852 457373408 /nfs/dbraw/zinc/37/34/08/457373408.db2.gz OVGBAZQYBMXDFV-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447852 457373414 /nfs/dbraw/zinc/37/34/14/457373414.db2.gz OVGBAZQYBMXDFV-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447852 457373417 /nfs/dbraw/zinc/37/34/17/457373417.db2.gz OVGBAZQYBMXDFV-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447852 457373422 /nfs/dbraw/zinc/37/34/22/457373422.db2.gz OVGBAZQYBMXDFV-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378307631 457389918 /nfs/dbraw/zinc/38/99/18/457389918.db2.gz BJXOMOQSAMINKT-XLIONFOSSA-N 2 2 338.499 3.005 20 0 EGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1F ZINC000355730550 457407867 /nfs/dbraw/zinc/40/78/67/457407867.db2.gz ROGVCPGZZZITSK-KSSFIOAISA-N 2 2 340.508 3.040 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)cc2n1C ZINC000355991658 457437244 /nfs/dbraw/zinc/43/72/44/457437244.db2.gz TXMDAQREINMCPP-UHFFFAOYSA-N 2 2 342.487 3.218 20 0 EGADLP Clc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000390704614 457439926 /nfs/dbraw/zinc/43/99/26/457439926.db2.gz USRJKHTVNJNYNG-QGZVFWFLSA-N 2 2 334.847 3.314 20 0 EGADLP Clc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000390704614 457439937 /nfs/dbraw/zinc/43/99/37/457439937.db2.gz USRJKHTVNJNYNG-QGZVFWFLSA-N 2 2 334.847 3.314 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000360932931 457443362 /nfs/dbraw/zinc/44/33/62/457443362.db2.gz HTHNBWGOMDGKFW-OAQYLSRUSA-N 3 2 338.499 3.335 20 0 EGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363782281 457445812 /nfs/dbraw/zinc/44/58/12/457445812.db2.gz KNAINJMJLLBLPD-KEYYUXOJSA-N 2 2 336.863 3.007 20 0 EGADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363782281 457445819 /nfs/dbraw/zinc/44/58/19/457445819.db2.gz KNAINJMJLLBLPD-KEYYUXOJSA-N 2 2 336.863 3.007 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000360943518 457452000 /nfs/dbraw/zinc/45/20/00/457452000.db2.gz VDLFURYFYAPGLQ-QGZVFWFLSA-N 3 2 342.462 3.084 20 0 EGADLP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000352546297 457456834 /nfs/dbraw/zinc/45/68/34/457456834.db2.gz SNRPOZDRYUYRLN-GOSISDBHSA-N 2 2 330.863 3.101 20 0 EGADLP Clc1ccc(-n2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000352546297 457456842 /nfs/dbraw/zinc/45/68/42/457456842.db2.gz SNRPOZDRYUYRLN-GOSISDBHSA-N 2 2 330.863 3.101 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314976 457494162 /nfs/dbraw/zinc/49/41/62/457494162.db2.gz KBJNXOSWFXWHPJ-FUHWJXTLSA-N 2 2 342.487 3.168 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314976 457494170 /nfs/dbraw/zinc/49/41/70/457494170.db2.gz KBJNXOSWFXWHPJ-FUHWJXTLSA-N 2 2 342.487 3.168 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779063 457520365 /nfs/dbraw/zinc/52/03/65/457520365.db2.gz NPUAAVVTFQUQBO-VQIMIIECSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779063 457520369 /nfs/dbraw/zinc/52/03/69/457520369.db2.gz NPUAAVVTFQUQBO-VQIMIIECSA-N 2 2 338.499 3.384 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684528 457529440 /nfs/dbraw/zinc/52/94/40/457529440.db2.gz OJWCQQNUJOZWQB-NQYLQCIDSA-N 2 2 330.472 3.227 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684528 457529445 /nfs/dbraw/zinc/52/94/45/457529445.db2.gz OJWCQQNUJOZWQB-NQYLQCIDSA-N 2 2 330.472 3.227 20 0 EGADLP COC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352709524 457548683 /nfs/dbraw/zinc/54/86/83/457548683.db2.gz CPTVRLZCWXBXDO-OAHLLOKOSA-N 2 2 339.892 3.335 20 0 EGADLP CCc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000352711467 457550621 /nfs/dbraw/zinc/55/06/21/457550621.db2.gz MWROOTHPNXHUQG-NRFANRHFSA-N 2 2 339.483 3.025 20 0 EGADLP CCc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000352711467 457550625 /nfs/dbraw/zinc/55/06/25/457550625.db2.gz MWROOTHPNXHUQG-NRFANRHFSA-N 2 2 339.483 3.025 20 0 EGADLP CC(C)(C)c1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)no1 ZINC000361072506 457564015 /nfs/dbraw/zinc/56/40/15/457564015.db2.gz DZTOLRPWFUTULA-UHFFFAOYSA-N 2 2 331.464 3.256 20 0 EGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)CC1 ZINC000374323669 457585258 /nfs/dbraw/zinc/58/52/58/457585258.db2.gz IUJALFDXQYZHBC-UHFFFAOYSA-N 2 2 328.485 3.265 20 0 EGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2csc(-c3ccccn3)n2)CC1 ZINC000374323669 457585265 /nfs/dbraw/zinc/58/52/65/457585265.db2.gz IUJALFDXQYZHBC-UHFFFAOYSA-N 2 2 328.485 3.265 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125806 457597168 /nfs/dbraw/zinc/59/71/68/457597168.db2.gz KZRHTAAILIHYPC-UZLBHIALSA-N 2 2 344.503 3.089 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125806 457597174 /nfs/dbraw/zinc/59/71/74/457597174.db2.gz KZRHTAAILIHYPC-UZLBHIALSA-N 2 2 344.503 3.089 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000370664848 457694910 /nfs/dbraw/zinc/69/49/10/457694910.db2.gz KZBGVYVEKVBRIE-BBWFWOEESA-N 2 2 347.507 3.012 20 0 EGADLP Clc1ccc(OCC2CC[NH+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000364868252 457709104 /nfs/dbraw/zinc/70/91/04/457709104.db2.gz PDBLQVKCRBGDRC-UHFFFAOYSA-N 2 2 334.851 3.113 20 0 EGADLP C[C@@H](CNc1[nH+]c2cccc(F)c2n1C)[N@@H+]1CCc2sccc2C1 ZINC000443509749 457771951 /nfs/dbraw/zinc/77/19/51/457771951.db2.gz OAPVELLFIXVQHD-LBPRGKRZSA-N 2 2 344.459 3.055 20 0 EGADLP C[C@@H](CNc1[nH+]c2cccc(F)c2n1C)[N@H+]1CCc2sccc2C1 ZINC000443509749 457771960 /nfs/dbraw/zinc/77/19/60/457771960.db2.gz OAPVELLFIXVQHD-LBPRGKRZSA-N 2 2 344.459 3.055 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762295 457842828 /nfs/dbraw/zinc/84/28/28/457842828.db2.gz AVRFQKWYWLBHDW-WWGRRREGSA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762295 457842836 /nfs/dbraw/zinc/84/28/36/457842836.db2.gz AVRFQKWYWLBHDW-WWGRRREGSA-N 2 2 347.894 3.362 20 0 EGADLP C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758213 457879258 /nfs/dbraw/zinc/87/92/58/457879258.db2.gz KHYSCYFKOQLBOK-WMZOPIPTSA-N 2 2 331.504 3.462 20 0 EGADLP C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758213 457879266 /nfs/dbraw/zinc/87/92/66/457879266.db2.gz KHYSCYFKOQLBOK-WMZOPIPTSA-N 2 2 331.504 3.462 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnc4n3CCCC4)CC2)C1 ZINC000375319252 457879269 /nfs/dbraw/zinc/87/92/69/457879269.db2.gz KDOKCVPWXHGQTL-SJLPKXTDSA-N 2 2 330.520 3.352 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3c[nH+]c4n3CCCC4)CC2)C1 ZINC000375319252 457879274 /nfs/dbraw/zinc/87/92/74/457879274.db2.gz KDOKCVPWXHGQTL-SJLPKXTDSA-N 2 2 330.520 3.352 20 0 EGADLP CCOC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCC1 ZINC000361824576 457887744 /nfs/dbraw/zinc/88/77/44/457887744.db2.gz FMVAAIQFOWDPOA-UHFFFAOYSA-N 2 2 341.455 3.488 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCC1 ZINC000361824576 457887749 /nfs/dbraw/zinc/88/77/49/457887749.db2.gz FMVAAIQFOWDPOA-UHFFFAOYSA-N 2 2 341.455 3.488 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2F)[C@H](C)C1 ZINC000358291289 457913953 /nfs/dbraw/zinc/91/39/53/457913953.db2.gz TWNHMTHIIOMNQI-DNVCBOLYSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2F)[C@H](C)C1 ZINC000358291289 457913958 /nfs/dbraw/zinc/91/39/58/457913958.db2.gz TWNHMTHIIOMNQI-DNVCBOLYSA-N 2 2 338.467 3.061 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(F)c1 ZINC000358308745 457925119 /nfs/dbraw/zinc/92/51/19/457925119.db2.gz YXGHKSPZBSNCHY-FOIQADDNSA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(F)c1 ZINC000358308745 457925123 /nfs/dbraw/zinc/92/51/23/457925123.db2.gz YXGHKSPZBSNCHY-FOIQADDNSA-N 2 2 343.446 3.230 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)C1CC1 ZINC000367090660 457926997 /nfs/dbraw/zinc/92/69/97/457926997.db2.gz BKTWUZIDCLAXMO-WOJBJXKFSA-N 2 2 328.500 3.446 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)C1CC1 ZINC000367090660 457927003 /nfs/dbraw/zinc/92/70/03/457927003.db2.gz BKTWUZIDCLAXMO-WOJBJXKFSA-N 2 2 328.500 3.446 20 0 EGADLP C[N@@H+](Cc1nc2ccccc2[nH]1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434018461 457933463 /nfs/dbraw/zinc/93/34/63/457933463.db2.gz OKNPJNDHNSFGBL-JXFKEZNVSA-N 2 2 335.455 3.083 20 0 EGADLP C[N@H+](Cc1nc2ccccc2[nH]1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434018461 457933469 /nfs/dbraw/zinc/93/34/69/457933469.db2.gz OKNPJNDHNSFGBL-JXFKEZNVSA-N 2 2 335.455 3.083 20 0 EGADLP C[NH+](Cc1nc2ccccc2[nH]1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434018461 457933473 /nfs/dbraw/zinc/93/34/73/457933473.db2.gz OKNPJNDHNSFGBL-JXFKEZNVSA-N 2 2 335.455 3.083 20 0 EGADLP C[NH+](Cc1nc2ccccc2[nH]1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434018461 457933480 /nfs/dbraw/zinc/93/34/80/457933480.db2.gz OKNPJNDHNSFGBL-JXFKEZNVSA-N 2 2 335.455 3.083 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCCC(C)C ZINC000427113785 457944887 /nfs/dbraw/zinc/94/48/87/457944887.db2.gz LJAVOLTUAGSZRJ-ZWKOTPCHSA-N 2 2 332.488 3.304 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OCCC(C)C ZINC000427113785 457944889 /nfs/dbraw/zinc/94/48/89/457944889.db2.gz LJAVOLTUAGSZRJ-ZWKOTPCHSA-N 2 2 332.488 3.304 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCCC(C)C ZINC000427113783 457945106 /nfs/dbraw/zinc/94/51/06/457945106.db2.gz LJAVOLTUAGSZRJ-QZTJIDSGSA-N 2 2 332.488 3.304 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCCC(C)C ZINC000427113783 457945111 /nfs/dbraw/zinc/94/51/11/457945111.db2.gz LJAVOLTUAGSZRJ-QZTJIDSGSA-N 2 2 332.488 3.304 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427105707 457945551 /nfs/dbraw/zinc/94/55/51/457945551.db2.gz ABHWIBOHTAPABF-GOEBONIOSA-N 2 2 338.879 3.321 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427105707 457945562 /nfs/dbraw/zinc/94/55/62/457945562.db2.gz ABHWIBOHTAPABF-GOEBONIOSA-N 2 2 338.879 3.321 20 0 EGADLP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC000358373482 457961244 /nfs/dbraw/zinc/96/12/44/457961244.db2.gz XUUMCWVVJYHROB-UHFFFAOYSA-N 2 2 344.890 3.235 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929743 457962460 /nfs/dbraw/zinc/96/24/60/457962460.db2.gz ZOMLJKFGPHBNHI-CRAIPNDOSA-N 2 2 329.513 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929743 457962466 /nfs/dbraw/zinc/96/24/66/457962466.db2.gz ZOMLJKFGPHBNHI-CRAIPNDOSA-N 2 2 329.513 3.358 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689148 458036409 /nfs/dbraw/zinc/03/64/09/458036409.db2.gz UNTBJCPOHWAOOF-JKSUJKDBSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000427855651 458043901 /nfs/dbraw/zinc/04/39/01/458043901.db2.gz LIQCPOQFEFGKKN-JSGCOSHPSA-N 2 2 339.361 3.490 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)(F)F)c1 ZINC000427850485 458044078 /nfs/dbraw/zinc/04/40/78/458044078.db2.gz PREBPRKJKPMAKX-WCQYABFASA-N 2 2 325.334 3.447 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000375842157 458090332 /nfs/dbraw/zinc/09/03/32/458090332.db2.gz UWBUVGLXBBPBJS-CABCVRRESA-N 2 2 326.444 3.058 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)CCC2 ZINC000375840773 458091017 /nfs/dbraw/zinc/09/10/17/458091017.db2.gz PYMHQXJJCOBPPE-HZPDHXFCSA-N 2 2 336.443 3.000 20 0 EGADLP O=C(CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000435234254 458107393 /nfs/dbraw/zinc/10/73/93/458107393.db2.gz ZKBQOWPUVUTKEV-ZDUSSCGKSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1Cl ZINC000435234254 458107398 /nfs/dbraw/zinc/10/73/98/458107398.db2.gz ZKBQOWPUVUTKEV-ZDUSSCGKSA-N 2 2 342.270 3.148 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000435368565 458120997 /nfs/dbraw/zinc/12/09/97/458120997.db2.gz BIMKMQXGDPEZFE-GOSISDBHSA-N 2 2 326.440 3.197 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000435368565 458121001 /nfs/dbraw/zinc/12/10/01/458121001.db2.gz BIMKMQXGDPEZFE-GOSISDBHSA-N 2 2 326.440 3.197 20 0 EGADLP Cn1ccnc1C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427630 458144999 /nfs/dbraw/zinc/14/49/99/458144999.db2.gz MVPJWYJOPZALKR-QGZVFWFLSA-N 2 2 344.890 3.218 20 0 EGADLP Cn1ccnc1C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427630 458145004 /nfs/dbraw/zinc/14/50/04/458145004.db2.gz MVPJWYJOPZALKR-QGZVFWFLSA-N 2 2 344.890 3.218 20 0 EGADLP Cc1ccc(F)c(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435435009 458146858 /nfs/dbraw/zinc/14/68/58/458146858.db2.gz VVXCQTFRDBSVBP-GOSISDBHSA-N 2 2 342.462 3.012 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@H]3CCCc4[nH+]ccn43)ccc2n1C1CC1 ZINC000412329484 458169633 /nfs/dbraw/zinc/16/96/33/458169633.db2.gz JQMIXBBONLNJDS-GOSISDBHSA-N 2 2 349.438 3.070 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435613261 458171950 /nfs/dbraw/zinc/17/19/50/458171950.db2.gz AYRQEYIMSIJAAM-HNNXBMFYSA-N 2 2 331.485 3.393 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435613261 458171957 /nfs/dbraw/zinc/17/19/57/458171957.db2.gz AYRQEYIMSIJAAM-HNNXBMFYSA-N 2 2 331.485 3.393 20 0 EGADLP CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435629911 458175830 /nfs/dbraw/zinc/17/58/30/458175830.db2.gz VMVUIKFWUASNLI-QGZVFWFLSA-N 2 2 329.444 3.314 20 0 EGADLP CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435629911 458175837 /nfs/dbraw/zinc/17/58/37/458175837.db2.gz VMVUIKFWUASNLI-QGZVFWFLSA-N 2 2 329.444 3.314 20 0 EGADLP C[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000435629840 458177217 /nfs/dbraw/zinc/17/72/17/458177217.db2.gz ZAWQVMPJXNYOGK-MRXNPFEDSA-N 2 2 342.462 3.074 20 0 EGADLP C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000435629840 458177224 /nfs/dbraw/zinc/17/72/24/458177224.db2.gz ZAWQVMPJXNYOGK-MRXNPFEDSA-N 2 2 342.462 3.074 20 0 EGADLP Cc1nc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)oc1C ZINC000435691994 458185441 /nfs/dbraw/zinc/18/54/41/458185441.db2.gz IGKMDTHHAMYQEY-INIZCTEOSA-N 2 2 331.485 3.497 20 0 EGADLP Cc1nc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)oc1C ZINC000435691994 458185445 /nfs/dbraw/zinc/18/54/45/458185445.db2.gz IGKMDTHHAMYQEY-INIZCTEOSA-N 2 2 331.485 3.497 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000435884985 458218618 /nfs/dbraw/zinc/21/86/18/458218618.db2.gz ZIGSWMFIDXYACY-IBGZPJMESA-N 2 2 346.496 3.322 20 0 EGADLP C[NH2+]CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000435884985 458218625 /nfs/dbraw/zinc/21/86/25/458218625.db2.gz ZIGSWMFIDXYACY-IBGZPJMESA-N 2 2 346.496 3.322 20 0 EGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428932002 458234407 /nfs/dbraw/zinc/23/44/07/458234407.db2.gz QVZMSQWRPWHHMQ-HNNXBMFYSA-N 2 2 339.361 3.414 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000428932002 458234414 /nfs/dbraw/zinc/23/44/14/458234414.db2.gz QVZMSQWRPWHHMQ-HNNXBMFYSA-N 2 2 339.361 3.414 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428947885 458239388 /nfs/dbraw/zinc/23/93/88/458239388.db2.gz QOWYGZAOPHWZLE-UHFFFAOYSA-N 2 2 337.467 3.296 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526314 458247068 /nfs/dbraw/zinc/24/70/68/458247068.db2.gz QQKUEKOREULQQN-IXDOHACOSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526314 458247071 /nfs/dbraw/zinc/24/70/71/458247071.db2.gz QQKUEKOREULQQN-IXDOHACOSA-N 2 2 326.843 3.163 20 0 EGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372279824 458262698 /nfs/dbraw/zinc/26/26/98/458262698.db2.gz BBZCPFZWSAVZEE-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372279824 458262701 /nfs/dbraw/zinc/26/27/01/458262701.db2.gz BBZCPFZWSAVZEE-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459171752 458281939 /nfs/dbraw/zinc/28/19/39/458281939.db2.gz XXEBXUFUGRXHPQ-QGZVFWFLSA-N 2 2 347.507 3.014 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459171752 458281945 /nfs/dbraw/zinc/28/19/45/458281945.db2.gz XXEBXUFUGRXHPQ-QGZVFWFLSA-N 2 2 347.507 3.014 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C[C@H](C)O1 ZINC000372372424 458294221 /nfs/dbraw/zinc/29/42/21/458294221.db2.gz GMDYTZYMTOSARE-IYBDPMFKSA-N 2 2 347.503 3.263 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C[C@H](C)O1 ZINC000372372424 458294224 /nfs/dbraw/zinc/29/42/24/458294224.db2.gz GMDYTZYMTOSARE-IYBDPMFKSA-N 2 2 347.503 3.263 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000376425178 458296426 /nfs/dbraw/zinc/29/64/26/458296426.db2.gz HQOZMSCNVGXAGC-MRXNPFEDSA-N 2 2 329.444 3.077 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000376425178 458296434 /nfs/dbraw/zinc/29/64/34/458296434.db2.gz HQOZMSCNVGXAGC-MRXNPFEDSA-N 2 2 329.444 3.077 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324442 458330344 /nfs/dbraw/zinc/33/03/44/458330344.db2.gz KOMRSAJPPJTYEL-IRXDYDNUSA-N 2 2 328.504 3.440 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324442 458330347 /nfs/dbraw/zinc/33/03/47/458330347.db2.gz KOMRSAJPPJTYEL-IRXDYDNUSA-N 2 2 328.504 3.440 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324442 458330349 /nfs/dbraw/zinc/33/03/49/458330349.db2.gz KOMRSAJPPJTYEL-IRXDYDNUSA-N 2 2 328.504 3.440 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324442 458330352 /nfs/dbraw/zinc/33/03/52/458330352.db2.gz KOMRSAJPPJTYEL-IRXDYDNUSA-N 2 2 328.504 3.440 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543467 458342230 /nfs/dbraw/zinc/34/22/30/458342230.db2.gz UWWSPRUHEBKUIL-MSOLQXFVSA-N 2 2 331.504 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543467 458342234 /nfs/dbraw/zinc/34/22/34/458342234.db2.gz UWWSPRUHEBKUIL-MSOLQXFVSA-N 2 2 331.504 3.355 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548383 458343934 /nfs/dbraw/zinc/34/39/34/458343934.db2.gz MQJPCDZBRCRLLS-VQTJNVASSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548383 458343936 /nfs/dbraw/zinc/34/39/36/458343936.db2.gz MQJPCDZBRCRLLS-VQTJNVASSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843774 458353827 /nfs/dbraw/zinc/35/38/27/458353827.db2.gz NWCKISQXRSFOFY-UNWHRZBZSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C\C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843774 458353833 /nfs/dbraw/zinc/35/38/33/458353833.db2.gz NWCKISQXRSFOFY-UNWHRZBZSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[N@H+](C/C=C\C[NH+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843774 458353839 /nfs/dbraw/zinc/35/38/39/458353839.db2.gz NWCKISQXRSFOFY-UNWHRZBZSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[N@@H+](C/C=C\C[NH+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843774 458353840 /nfs/dbraw/zinc/35/38/40/458353840.db2.gz NWCKISQXRSFOFY-UNWHRZBZSA-N 2 2 338.536 3.036 20 0 EGADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CCC2 ZINC000376676749 458366837 /nfs/dbraw/zinc/36/68/37/458366837.db2.gz AIHSTOKNQLQDRQ-NRFANRHFSA-N 2 2 337.467 3.419 20 0 EGADLP Cc1cnc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000459485513 458388721 /nfs/dbraw/zinc/38/87/21/458388721.db2.gz RTSHURNZXPJCCQ-MRXNPFEDSA-N 2 2 333.439 3.216 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)o1 ZINC000430003694 458388961 /nfs/dbraw/zinc/38/89/61/458388961.db2.gz RIKZSWXSHQBCEM-UHFFFAOYSA-N 2 2 346.446 3.331 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067634 458390618 /nfs/dbraw/zinc/39/06/18/458390618.db2.gz BVYBSZLEIUQTHA-HIFRSBDPSA-N 2 2 348.384 3.329 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067634 458390621 /nfs/dbraw/zinc/39/06/21/458390621.db2.gz BVYBSZLEIUQTHA-HIFRSBDPSA-N 2 2 348.384 3.329 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@]4(C)[C@H](C3)C4(F)F)sc2C1 ZINC000430095855 458400207 /nfs/dbraw/zinc/40/02/07/458400207.db2.gz CIQGEXIPMSLGIZ-GOEBONIOSA-N 2 2 341.471 3.387 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@]4(C)[C@H](C3)C4(F)F)sc2C1 ZINC000430095855 458400208 /nfs/dbraw/zinc/40/02/08/458400208.db2.gz CIQGEXIPMSLGIZ-GOEBONIOSA-N 2 2 341.471 3.387 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)sc2C1 ZINC000430095855 458400210 /nfs/dbraw/zinc/40/02/10/458400210.db2.gz CIQGEXIPMSLGIZ-GOEBONIOSA-N 2 2 341.471 3.387 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)sc2C1 ZINC000430095855 458400212 /nfs/dbraw/zinc/40/02/12/458400212.db2.gz CIQGEXIPMSLGIZ-GOEBONIOSA-N 2 2 341.471 3.387 20 0 EGADLP Cc1ccc(-c2noc(CCC[NH2+]C(C)(C)C[NH+](C)C)n2)cc1F ZINC000459533729 458403846 /nfs/dbraw/zinc/40/38/46/458403846.db2.gz GYTAJALOYILEOE-UHFFFAOYSA-N 2 2 334.439 3.047 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)cc1Cl ZINC000437112234 458427551 /nfs/dbraw/zinc/42/75/51/458427551.db2.gz HDLKOKNOQDCPHS-AWEZNQCLSA-N 2 2 337.895 3.439 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000423508289 458445825 /nfs/dbraw/zinc/44/58/25/458445825.db2.gz HXPLEFWOIJXZHI-NFBKMPQASA-N 2 2 345.490 3.422 20 0 EGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423514735 458448912 /nfs/dbraw/zinc/44/89/12/458448912.db2.gz MNGJAYRWKBITQA-WMLDXEAASA-N 2 2 345.512 3.071 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc2ccccc2c1OC(F)F ZINC000423529778 458452978 /nfs/dbraw/zinc/45/29/78/458452978.db2.gz VVIQVOQJYMSOTR-GXTWGEPZSA-N 2 2 336.382 3.080 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423541763 458455447 /nfs/dbraw/zinc/45/54/47/458455447.db2.gz AVGCRIBRCQIRFR-YESZJQIVSA-N 2 2 342.405 3.310 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000430545146 458458849 /nfs/dbraw/zinc/45/88/49/458458849.db2.gz HHGGHKLNLSZNBZ-SFHVURJKSA-N 2 2 326.488 3.166 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000430545146 458458850 /nfs/dbraw/zinc/45/88/50/458458850.db2.gz HHGGHKLNLSZNBZ-SFHVURJKSA-N 2 2 326.488 3.166 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000430559587 458460497 /nfs/dbraw/zinc/46/04/97/458460497.db2.gz DOMZZRZMJOQPJI-OXQOHEQNSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000430559587 458460504 /nfs/dbraw/zinc/46/05/04/458460504.db2.gz DOMZZRZMJOQPJI-OXQOHEQNSA-N 2 2 341.499 3.322 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)c1OC ZINC000430558994 458460918 /nfs/dbraw/zinc/46/09/18/458460918.db2.gz WMHSCTAETQUQAP-GOSISDBHSA-N 2 2 349.500 3.290 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000430579960 458465272 /nfs/dbraw/zinc/46/52/72/458465272.db2.gz CZRWPERZGUNSSN-AWEZNQCLSA-N 2 2 349.784 3.014 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593590 458468308 /nfs/dbraw/zinc/46/83/08/458468308.db2.gz SWPFXPZDPORSHM-GOSISDBHSA-N 2 2 337.467 3.366 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430593590 458468310 /nfs/dbraw/zinc/46/83/10/458468310.db2.gz SWPFXPZDPORSHM-GOSISDBHSA-N 2 2 337.467 3.366 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605195 458470888 /nfs/dbraw/zinc/47/08/88/458470888.db2.gz QAWVYPQRZUSUMY-LAUBAEHRSA-N 2 2 343.515 3.095 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605195 458470893 /nfs/dbraw/zinc/47/08/93/458470893.db2.gz QAWVYPQRZUSUMY-LAUBAEHRSA-N 2 2 343.515 3.095 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430621674 458471939 /nfs/dbraw/zinc/47/19/39/458471939.db2.gz CWZVXEMDELZRFA-GOSISDBHSA-N 2 2 349.563 3.412 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430621674 458471940 /nfs/dbraw/zinc/47/19/40/458471940.db2.gz CWZVXEMDELZRFA-GOSISDBHSA-N 2 2 349.563 3.412 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2[nH+]c1C(C)(C)C ZINC000423818379 458490208 /nfs/dbraw/zinc/49/02/08/458490208.db2.gz ZTYLSDNMINXSMB-ZUOKHONESA-N 2 2 340.471 3.199 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cscc2Br)C1 ZINC000377890328 458565894 /nfs/dbraw/zinc/56/58/94/458565894.db2.gz ULENRMZVCGETIN-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377765830 458518363 /nfs/dbraw/zinc/51/83/63/458518363.db2.gz YBFAUGYMBJNYCM-LPHOPBHVSA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377765830 458518367 /nfs/dbraw/zinc/51/83/67/458518367.db2.gz YBFAUGYMBJNYCM-LPHOPBHVSA-N 2 2 337.458 3.128 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555836 458526526 /nfs/dbraw/zinc/52/65/26/458526526.db2.gz RCBDTJTVBMTOSW-RHSMWYFYSA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555836 458526531 /nfs/dbraw/zinc/52/65/31/458526531.db2.gz RCBDTJTVBMTOSW-RHSMWYFYSA-N 2 2 344.421 3.337 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000377888415 458565029 /nfs/dbraw/zinc/56/50/29/458565029.db2.gz JNFGCPOCMGFMCC-KRWDZBQOSA-N 2 2 341.455 3.365 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000377888415 458565036 /nfs/dbraw/zinc/56/50/36/458565036.db2.gz JNFGCPOCMGFMCC-KRWDZBQOSA-N 2 2 341.455 3.365 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cscc2Br)C1 ZINC000377890328 458565890 /nfs/dbraw/zinc/56/58/90/458565890.db2.gz ULENRMZVCGETIN-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP [NH3+][C@H](CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)CC1CCCCC1 ZINC000424152112 458571787 /nfs/dbraw/zinc/57/17/87/458571787.db2.gz IHKYBZHZOJCISH-QGZVFWFLSA-N 2 2 332.492 3.194 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000431434903 458572737 /nfs/dbraw/zinc/57/27/37/458572737.db2.gz PCZVYQLUZZLYOK-DYVFJYSZSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000431434903 458572739 /nfs/dbraw/zinc/57/27/39/458572739.db2.gz PCZVYQLUZZLYOK-DYVFJYSZSA-N 2 2 328.435 3.166 20 0 EGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+](C)Cc1ccccc1 ZINC000493929624 458601443 /nfs/dbraw/zinc/60/14/43/458601443.db2.gz ZBTGIARCXQOTLI-RSPOEFSDSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929624 458601448 /nfs/dbraw/zinc/60/14/48/458601448.db2.gz ZBTGIARCXQOTLI-RSPOEFSDSA-N 2 2 328.500 3.444 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000456415918 458670265 /nfs/dbraw/zinc/67/02/65/458670265.db2.gz JOEVECBXDOHJTM-RHSMWYFYSA-N 2 2 326.444 3.161 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000432237540 458702877 /nfs/dbraw/zinc/70/28/77/458702877.db2.gz HYFACDWRKBIBSK-NSHDSACASA-N 2 2 335.250 3.190 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OC(F)F ZINC000530218890 458721696 /nfs/dbraw/zinc/72/16/96/458721696.db2.gz JXVDKJNBODLRKL-ABAIWWIYSA-N 2 2 326.387 3.232 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000432420794 458737442 /nfs/dbraw/zinc/73/74/42/458737442.db2.gz MQMMYIFAEFYTNI-KBPBESRZSA-N 2 2 325.522 3.165 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000432420794 458737446 /nfs/dbraw/zinc/73/74/46/458737446.db2.gz MQMMYIFAEFYTNI-KBPBESRZSA-N 2 2 325.522 3.165 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000494768664 458743881 /nfs/dbraw/zinc/74/38/81/458743881.db2.gz QYZCDVIRVHYBPS-MXEMCNAFSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000494768664 458743883 /nfs/dbraw/zinc/74/38/83/458743883.db2.gz QYZCDVIRVHYBPS-MXEMCNAFSA-N 2 2 340.511 3.444 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)s1 ZINC000494834469 458754389 /nfs/dbraw/zinc/75/43/89/458754389.db2.gz FISGYXPTKQTNAR-UWVGGRQHSA-N 2 2 326.263 3.373 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000456705825 458758074 /nfs/dbraw/zinc/75/80/74/458758074.db2.gz IRINPNIIYVZFDG-CHWSQXEVSA-N 2 2 346.475 3.003 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724553 458774830 /nfs/dbraw/zinc/77/48/30/458774830.db2.gz ZRABZAYRWRXLNY-KWCYVHTRSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724553 458774835 /nfs/dbraw/zinc/77/48/35/458774835.db2.gz ZRABZAYRWRXLNY-KWCYVHTRSA-N 2 2 348.434 3.450 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c[nH+]1 ZINC000456837379 458794943 /nfs/dbraw/zinc/79/49/43/458794943.db2.gz KSTVWAGWAODIOG-IBGZPJMESA-N 2 2 341.430 3.118 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c[nH+]1 ZINC000456837379 458794951 /nfs/dbraw/zinc/79/49/51/458794951.db2.gz KSTVWAGWAODIOG-IBGZPJMESA-N 2 2 341.430 3.118 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472452299 458797390 /nfs/dbraw/zinc/79/73/90/458797390.db2.gz XJWIBYRGQUFWDX-FUHWJXTLSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472452299 458797393 /nfs/dbraw/zinc/79/73/93/458797393.db2.gz XJWIBYRGQUFWDX-FUHWJXTLSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472452299 458797399 /nfs/dbraw/zinc/79/73/99/458797399.db2.gz XJWIBYRGQUFWDX-FUHWJXTLSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472452299 458797405 /nfs/dbraw/zinc/79/74/05/458797405.db2.gz XJWIBYRGQUFWDX-FUHWJXTLSA-N 2 2 343.515 3.240 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463789 458798054 /nfs/dbraw/zinc/79/80/54/458798054.db2.gz GBPRMPJFFIAVOK-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463789 458798061 /nfs/dbraw/zinc/79/80/61/458798061.db2.gz GBPRMPJFFIAVOK-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000472463789 458798066 /nfs/dbraw/zinc/79/80/66/458798066.db2.gz GBPRMPJFFIAVOK-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000472463789 458798071 /nfs/dbraw/zinc/79/80/71/458798071.db2.gz GBPRMPJFFIAVOK-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902400 458810680 /nfs/dbraw/zinc/81/06/80/458810680.db2.gz KUWVXPRQBOTUCJ-AABGKKOBSA-N 2 2 348.556 3.397 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902400 458810683 /nfs/dbraw/zinc/81/06/83/458810683.db2.gz KUWVXPRQBOTUCJ-AABGKKOBSA-N 2 2 348.556 3.397 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000495267299 458823916 /nfs/dbraw/zinc/82/39/16/458823916.db2.gz XGYFYTQQDNCKGU-CYBMUJFWSA-N 2 2 348.472 3.033 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000495267299 458823924 /nfs/dbraw/zinc/82/39/24/458823924.db2.gz XGYFYTQQDNCKGU-CYBMUJFWSA-N 2 2 348.472 3.033 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902183 458842635 /nfs/dbraw/zinc/84/26/35/458842635.db2.gz LTJJZKNLUOKTQC-HFSMHLIXSA-N 2 2 345.531 3.305 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902183 458842640 /nfs/dbraw/zinc/84/26/40/458842640.db2.gz LTJJZKNLUOKTQC-HFSMHLIXSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902183 458842644 /nfs/dbraw/zinc/84/26/44/458842644.db2.gz LTJJZKNLUOKTQC-HFSMHLIXSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)C[C@@H]1C ZINC000530902183 458842650 /nfs/dbraw/zinc/84/26/50/458842650.db2.gz LTJJZKNLUOKTQC-HFSMHLIXSA-N 2 2 345.531 3.305 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796074 458893968 /nfs/dbraw/zinc/89/39/68/458893968.db2.gz PNFYYYCWYVKCLC-MPXGXIRNSA-N 2 2 336.426 3.165 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796074 458893972 /nfs/dbraw/zinc/89/39/72/458893972.db2.gz PNFYYYCWYVKCLC-MPXGXIRNSA-N 2 2 336.426 3.165 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+]CCCc2c(F)cccc2Cl)CCSC1 ZINC000518897488 458898003 /nfs/dbraw/zinc/89/80/03/458898003.db2.gz QLCNRPMADTUDJJ-MRXNPFEDSA-N 2 2 330.900 3.439 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441345763 458923819 /nfs/dbraw/zinc/92/38/19/458923819.db2.gz HOWWIVNLAQTSTK-AZUAARDMSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441345763 458923821 /nfs/dbraw/zinc/92/38/21/458923821.db2.gz HOWWIVNLAQTSTK-AZUAARDMSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441345763 458923824 /nfs/dbraw/zinc/92/38/24/458923824.db2.gz HOWWIVNLAQTSTK-AZUAARDMSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441345763 458923826 /nfs/dbraw/zinc/92/38/26/458923826.db2.gz HOWWIVNLAQTSTK-AZUAARDMSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441345766 458924554 /nfs/dbraw/zinc/92/45/54/458924554.db2.gz HOWWIVNLAQTSTK-UYAOXDASSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441345766 458924563 /nfs/dbraw/zinc/92/45/63/458924563.db2.gz HOWWIVNLAQTSTK-UYAOXDASSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441345766 458924567 /nfs/dbraw/zinc/92/45/67/458924567.db2.gz HOWWIVNLAQTSTK-UYAOXDASSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441345766 458924569 /nfs/dbraw/zinc/92/45/69/458924569.db2.gz HOWWIVNLAQTSTK-UYAOXDASSA-N 2 2 345.531 3.230 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417067 458939399 /nfs/dbraw/zinc/93/93/99/458939399.db2.gz FJJGGDQCEHFWSA-AZUAARDMSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441417067 458939407 /nfs/dbraw/zinc/93/94/07/458939407.db2.gz FJJGGDQCEHFWSA-AZUAARDMSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417067 458939411 /nfs/dbraw/zinc/93/94/11/458939411.db2.gz FJJGGDQCEHFWSA-AZUAARDMSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441417067 458939420 /nfs/dbraw/zinc/93/94/20/458939420.db2.gz FJJGGDQCEHFWSA-AZUAARDMSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000495776386 458948194 /nfs/dbraw/zinc/94/81/94/458948194.db2.gz GWVOZKSMZIMWCP-NWDGAFQWSA-N 2 2 340.493 3.062 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000495776386 458948199 /nfs/dbraw/zinc/94/81/99/458948199.db2.gz GWVOZKSMZIMWCP-NWDGAFQWSA-N 2 2 340.493 3.062 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cn1 ZINC000566537464 458955311 /nfs/dbraw/zinc/95/53/11/458955311.db2.gz PTPHVXZKHGFTDK-GFCCVEGCSA-N 2 2 349.276 3.270 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000467358788 458970178 /nfs/dbraw/zinc/97/01/78/458970178.db2.gz MCMMFFNQEONWQK-FGZHOGPDSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000467358788 458970185 /nfs/dbraw/zinc/97/01/85/458970185.db2.gz MCMMFFNQEONWQK-FGZHOGPDSA-N 2 2 338.495 3.153 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556573478 458973988 /nfs/dbraw/zinc/97/39/88/458973988.db2.gz KICSHNMOEGZHRX-DLBZAZTESA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000556573478 458973991 /nfs/dbraw/zinc/97/39/91/458973991.db2.gz KICSHNMOEGZHRX-DLBZAZTESA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531948256 459005036 /nfs/dbraw/zinc/00/50/36/459005036.db2.gz XMQFUHREPQTOMZ-MNEFBYGVSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984728 459012143 /nfs/dbraw/zinc/01/21/43/459012143.db2.gz URHZPJSLNPPLGD-QWHCGFSZSA-N 2 2 343.284 3.451 20 0 EGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984728 459012151 /nfs/dbraw/zinc/01/21/51/459012151.db2.gz URHZPJSLNPPLGD-QWHCGFSZSA-N 2 2 343.284 3.451 20 0 EGADLP COc1ccc(-c2cnc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000442761959 459032797 /nfs/dbraw/zinc/03/27/97/459032797.db2.gz ZGWCHHFEAIEATH-XYPWUTKMSA-N 2 2 327.428 3.065 20 0 EGADLP COc1ccc(-c2cnc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000442761959 459032802 /nfs/dbraw/zinc/03/28/02/459032802.db2.gz ZGWCHHFEAIEATH-XYPWUTKMSA-N 2 2 327.428 3.065 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762730 459032834 /nfs/dbraw/zinc/03/28/34/459032834.db2.gz FPLTZQPATRPIAE-SJORKVTESA-N 2 2 329.488 3.021 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762730 459032838 /nfs/dbraw/zinc/03/28/38/459032838.db2.gz FPLTZQPATRPIAE-SJORKVTESA-N 2 2 329.488 3.021 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000577484056 459040261 /nfs/dbraw/zinc/04/02/61/459040261.db2.gz DSLZNXIJPJVIOW-INIZCTEOSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc(Cl)c1 ZINC000577484056 459040265 /nfs/dbraw/zinc/04/02/65/459040265.db2.gz DSLZNXIJPJVIOW-INIZCTEOSA-N 2 2 335.879 3.275 20 0 EGADLP COCc1nc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(-c2ccccc2)s1 ZINC000442878427 459049715 /nfs/dbraw/zinc/04/97/15/459049715.db2.gz YWRLBPXRIAWWEE-ZBFHGGJFSA-N 2 2 345.512 3.386 20 0 EGADLP COCc1nc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(-c2ccccc2)s1 ZINC000442878427 459049717 /nfs/dbraw/zinc/04/97/17/459049717.db2.gz YWRLBPXRIAWWEE-ZBFHGGJFSA-N 2 2 345.512 3.386 20 0 EGADLP Clc1cccc2c(N3CC[NH+](CC4CCOCC4)CC3)cc[nH+]c12 ZINC000557603686 459089432 /nfs/dbraw/zinc/08/94/32/459089432.db2.gz OPZNSDUDJCMDHT-UHFFFAOYSA-N 2 2 345.874 3.437 20 0 EGADLP Clc1cccc2c(N3CCC[C@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000557688245 459099267 /nfs/dbraw/zinc/09/92/67/459099267.db2.gz LKFMMMJVMCBUBQ-OAHLLOKOSA-N 2 2 345.874 3.437 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000578065129 459140971 /nfs/dbraw/zinc/14/09/71/459140971.db2.gz JUQBFAFZHYILBP-SEONNTABSA-N 2 2 326.484 3.432 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000558413035 459155314 /nfs/dbraw/zinc/15/53/14/459155314.db2.gz ZFAAUJOZSQYMQO-FUHWJXTLSA-N 2 2 332.488 3.076 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000558413035 459155317 /nfs/dbraw/zinc/15/53/17/459155317.db2.gz ZFAAUJOZSQYMQO-FUHWJXTLSA-N 2 2 332.488 3.076 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000567763765 459163444 /nfs/dbraw/zinc/16/34/44/459163444.db2.gz PDANODNWGOLJMH-ICSRJNTNSA-N 2 2 326.488 3.445 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000567763765 459163449 /nfs/dbraw/zinc/16/34/49/459163449.db2.gz PDANODNWGOLJMH-ICSRJNTNSA-N 2 2 326.488 3.445 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000578322824 459182651 /nfs/dbraw/zinc/18/26/51/459182651.db2.gz MXWMZXUDAAFPLF-RBUKOAKNSA-N 2 2 332.488 3.338 20 0 EGADLP CCOCc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OC ZINC000578322824 459182657 /nfs/dbraw/zinc/18/26/57/459182657.db2.gz MXWMZXUDAAFPLF-RBUKOAKNSA-N 2 2 332.488 3.338 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)cn1 ZINC000558729440 459204868 /nfs/dbraw/zinc/20/48/68/459204868.db2.gz ZIRCVSNQGGCLKW-LBPRGKRZSA-N 2 2 335.249 3.392 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cncnc1C)c1ccccc1 ZINC000578522365 459215442 /nfs/dbraw/zinc/21/54/42/459215442.db2.gz JLVMALPTVGLNLK-FXAWDEMLSA-N 2 2 342.487 3.145 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCNc1cccc[nH+]1)O[C@H](C)C2 ZINC000578596608 459226177 /nfs/dbraw/zinc/22/61/77/459226177.db2.gz JIUZBFTZLARUOQ-CQSZACIVSA-N 2 2 327.428 3.005 20 0 EGADLP Fc1cc(Br)cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000578603240 459228224 /nfs/dbraw/zinc/22/82/24/459228224.db2.gz BBXRDOQCMLOCHS-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168415 459237975 /nfs/dbraw/zinc/23/79/75/459237975.db2.gz HMYZBXPGQSIOII-IBGZPJMESA-N 2 2 344.524 3.030 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168415 459237976 /nfs/dbraw/zinc/23/79/76/459237976.db2.gz HMYZBXPGQSIOII-IBGZPJMESA-N 2 2 344.524 3.030 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168415 459237982 /nfs/dbraw/zinc/23/79/82/459237982.db2.gz HMYZBXPGQSIOII-IBGZPJMESA-N 2 2 344.524 3.030 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168415 459237985 /nfs/dbraw/zinc/23/79/85/459237985.db2.gz HMYZBXPGQSIOII-IBGZPJMESA-N 2 2 344.524 3.030 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000496572677 459243588 /nfs/dbraw/zinc/24/35/88/459243588.db2.gz QYUKEEMUGFFZPB-IRXDYDNUSA-N 2 2 345.487 3.381 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)ccn12 ZINC000568189744 459243630 /nfs/dbraw/zinc/24/36/30/459243630.db2.gz RWLHDHFGCNSJQI-QFBILLFUSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)ccn12 ZINC000568189744 459243635 /nfs/dbraw/zinc/24/36/35/459243635.db2.gz RWLHDHFGCNSJQI-QFBILLFUSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)ccc2n1C ZINC000533510768 459245417 /nfs/dbraw/zinc/24/54/17/459245417.db2.gz XCRHWDYFENONKO-GOSISDBHSA-N 2 2 326.444 3.227 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)ccc2n1C ZINC000533510768 459245423 /nfs/dbraw/zinc/24/54/23/459245423.db2.gz XCRHWDYFENONKO-GOSISDBHSA-N 2 2 326.444 3.227 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790520 459277420 /nfs/dbraw/zinc/27/74/20/459277420.db2.gz YBTBYSPCACTGGY-UAGQMJEPSA-N 2 2 327.476 3.414 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790520 459277425 /nfs/dbraw/zinc/27/74/25/459277425.db2.gz YBTBYSPCACTGGY-UAGQMJEPSA-N 2 2 327.476 3.414 20 0 EGADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129633 459292239 /nfs/dbraw/zinc/29/22/39/459292239.db2.gz XMOQRSYGBJAOOI-SOLBZPMBSA-N 2 2 344.503 3.041 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCc3ccc4c(c3)CCO4)C2)cc1 ZINC000482158524 459293835 /nfs/dbraw/zinc/29/38/35/459293835.db2.gz QMHUBYYBQZNDIF-OAQYLSRUSA-N 2 2 336.479 3.418 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCc3ccc4c(c3)CCO4)C2)cc1 ZINC000482158524 459293841 /nfs/dbraw/zinc/29/38/41/459293841.db2.gz QMHUBYYBQZNDIF-OAQYLSRUSA-N 2 2 336.479 3.418 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082561 459309113 /nfs/dbraw/zinc/30/91/13/459309113.db2.gz POOFJFKCBORHDH-PBHICJAKSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082561 459309118 /nfs/dbraw/zinc/30/91/18/459309118.db2.gz POOFJFKCBORHDH-PBHICJAKSA-N 2 2 346.862 3.051 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](C[C@@H]2CCCC2(F)F)CC1 ZINC000560186410 459310943 /nfs/dbraw/zinc/31/09/43/459310943.db2.gz OBFOQINLBXTZOV-INIZCTEOSA-N 2 2 340.462 3.407 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](C[C@@H]2CCCC2(F)F)CC1 ZINC000560186410 459310946 /nfs/dbraw/zinc/31/09/46/459310946.db2.gz OBFOQINLBXTZOV-INIZCTEOSA-N 2 2 340.462 3.407 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c(C(C)C)nc2s1 ZINC000534344936 459318828 /nfs/dbraw/zinc/31/88/28/459318828.db2.gz NSBHBNUBKSNTED-ZDUSSCGKSA-N 2 2 344.488 3.325 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c(C(C)C)nc2s1 ZINC000534344936 459318832 /nfs/dbraw/zinc/31/88/32/459318832.db2.gz NSBHBNUBKSNTED-ZDUSSCGKSA-N 2 2 344.488 3.325 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873293 459328386 /nfs/dbraw/zinc/32/83/86/459328386.db2.gz FIPXACWGCRMHNN-YOEHRIQHSA-N 2 2 347.503 3.451 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873293 459328391 /nfs/dbraw/zinc/32/83/91/459328391.db2.gz FIPXACWGCRMHNN-YOEHRIQHSA-N 2 2 347.503 3.451 20 0 EGADLP Cc1ccc2nc([C@H]3CCC[N@@H+](CCCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000582308995 459344389 /nfs/dbraw/zinc/34/43/89/459344389.db2.gz HAOUXSYNZIGYGQ-INIZCTEOSA-N 2 2 337.471 3.417 20 0 EGADLP Cc1ccc2nc([C@H]3CCC[N@H+](CCCc4c[nH+]cn4C)C3)[nH]c2c1 ZINC000582308995 459344393 /nfs/dbraw/zinc/34/43/93/459344393.db2.gz HAOUXSYNZIGYGQ-INIZCTEOSA-N 2 2 337.471 3.417 20 0 EGADLP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCCc4c[nH+]cn4C)C3)nc2c1 ZINC000582308995 459344399 /nfs/dbraw/zinc/34/43/99/459344399.db2.gz HAOUXSYNZIGYGQ-INIZCTEOSA-N 2 2 337.471 3.417 20 0 EGADLP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCCc4c[nH+]cn4C)C3)nc2c1 ZINC000582308995 459344404 /nfs/dbraw/zinc/34/44/04/459344404.db2.gz HAOUXSYNZIGYGQ-INIZCTEOSA-N 2 2 337.471 3.417 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514551 459378598 /nfs/dbraw/zinc/37/85/98/459378598.db2.gz QWMZRUJVODXQIZ-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514551 459378603 /nfs/dbraw/zinc/37/86/03/459378603.db2.gz QWMZRUJVODXQIZ-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)cc1Br ZINC000582514551 459378605 /nfs/dbraw/zinc/37/86/05/459378605.db2.gz QWMZRUJVODXQIZ-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1Br ZINC000582514551 459378608 /nfs/dbraw/zinc/37/86/08/459378608.db2.gz QWMZRUJVODXQIZ-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3C[C@@H](C)C[C@H](C)C3)c2cc1C ZINC000560903730 459405310 /nfs/dbraw/zinc/40/53/10/459405310.db2.gz NCBODFXWVQXXFT-SUNYJGFJSA-N 2 2 329.488 3.428 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(I)cc1 ZINC000591578030 459405813 /nfs/dbraw/zinc/40/58/13/459405813.db2.gz NYMKHTXWLKGNMW-BXUZGUMPSA-N 2 2 344.240 3.084 20 0 EGADLP OC[C@@H](C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053847 459415736 /nfs/dbraw/zinc/41/57/36/459415736.db2.gz YZWJAMOCWMIENF-RTWAWAEBSA-N 2 2 330.516 3.082 20 0 EGADLP OC[C@@H](C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053847 459415741 /nfs/dbraw/zinc/41/57/41/459415741.db2.gz YZWJAMOCWMIENF-RTWAWAEBSA-N 2 2 330.516 3.082 20 0 EGADLP CSCCCCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000591761158 459430008 /nfs/dbraw/zinc/43/00/08/459430008.db2.gz ZQGYJTZQJDWTGQ-MRXNPFEDSA-N 2 2 335.517 3.137 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341930 459435568 /nfs/dbraw/zinc/43/55/68/459435568.db2.gz YYCRQFCVSSGEAQ-SVFBPWRDSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341930 459435573 /nfs/dbraw/zinc/43/55/73/459435573.db2.gz YYCRQFCVSSGEAQ-SVFBPWRDSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341927 459435799 /nfs/dbraw/zinc/43/57/99/459435799.db2.gz YYCRQFCVSSGEAQ-DYXWJJEUSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000569341927 459435804 /nfs/dbraw/zinc/43/58/04/459435804.db2.gz YYCRQFCVSSGEAQ-DYXWJJEUSA-N 2 2 347.547 3.158 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591866932 459457957 /nfs/dbraw/zinc/45/79/57/459457957.db2.gz KDHVNVQQMVLGKZ-GOEBONIOSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591866932 459457960 /nfs/dbraw/zinc/45/79/60/459457960.db2.gz KDHVNVQQMVLGKZ-GOEBONIOSA-N 2 2 344.484 3.269 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)c[nH+]1 ZINC000591867268 459458648 /nfs/dbraw/zinc/45/86/48/459458648.db2.gz NQVCSGPJOLUTTJ-HNNXBMFYSA-N 2 2 325.441 3.239 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)c[nH+]1 ZINC000591867268 459458654 /nfs/dbraw/zinc/45/86/54/459458654.db2.gz NQVCSGPJOLUTTJ-HNNXBMFYSA-N 2 2 325.441 3.239 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742050 459486516 /nfs/dbraw/zinc/48/65/16/459486516.db2.gz PTPXVRGWKMOHAQ-NVXWUHKLSA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742050 459486524 /nfs/dbraw/zinc/48/65/24/459486524.db2.gz PTPXVRGWKMOHAQ-NVXWUHKLSA-N 2 2 332.517 3.435 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCC[NH2+]1 ZINC000569802262 459512288 /nfs/dbraw/zinc/51/22/88/459512288.db2.gz MJEQRBPHNOLICJ-IFXJQAMLSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)c2[nH+]ccn21 ZINC000583307869 459517643 /nfs/dbraw/zinc/51/76/43/459517643.db2.gz BHBFRIOKDFMEFS-DOTOQJQBSA-N 2 2 347.507 3.042 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)c2)cc1 ZINC000569919305 459530578 /nfs/dbraw/zinc/53/05/78/459530578.db2.gz YONAKGSPZMCQNR-JXFKEZNVSA-N 2 2 337.467 3.335 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000583421650 459534940 /nfs/dbraw/zinc/53/49/40/459534940.db2.gz IBUFFPPQRDLMNN-QUCCMNQESA-N 2 2 334.423 3.277 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583502688 459550972 /nfs/dbraw/zinc/55/09/72/459550972.db2.gz AXFZORXCXFBCLA-MJGOQNOKSA-N 2 2 342.487 3.107 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C[C@H]1C ZINC000592403442 459594990 /nfs/dbraw/zinc/59/49/90/459594990.db2.gz LGWPQBLSKBLBMB-UWWQBHOKSA-N 2 2 343.471 3.143 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000562777974 459645374 /nfs/dbraw/zinc/64/53/74/459645374.db2.gz BFJRGIFUTQSTMG-YWZLYKJASA-N 2 2 339.414 3.266 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000573436746 459677283 /nfs/dbraw/zinc/67/72/83/459677283.db2.gz FUSZTMWYMIYBFG-LZQZEXGQSA-N 2 2 335.923 3.455 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]CCC[NH+]2CCCC2)c1F ZINC000527631862 459677697 /nfs/dbraw/zinc/67/76/97/459677697.db2.gz KDNUFDPTBLIHMV-UHFFFAOYSA-N 2 2 333.220 3.303 20 0 EGADLP Cc1nc(NC2CC[NH+](Cc3ccncc3)CC2)c2c([nH+]1)CCCC2 ZINC000543877602 459710084 /nfs/dbraw/zinc/71/00/84/459710084.db2.gz OVDXDRGRYJWFJF-UHFFFAOYSA-N 2 2 337.471 3.135 20 0 EGADLP c1csc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)n1 ZINC000527752341 459724396 /nfs/dbraw/zinc/72/43/96/459724396.db2.gz LOAVBGITPXAGHA-KRWDZBQOSA-N 2 2 334.533 3.109 20 0 EGADLP c1csc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)CC2)n1 ZINC000527752341 459724400 /nfs/dbraw/zinc/72/44/00/459724400.db2.gz LOAVBGITPXAGHA-KRWDZBQOSA-N 2 2 334.533 3.109 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000584433324 459736266 /nfs/dbraw/zinc/73/62/66/459736266.db2.gz VUQCYBUJZHJRLQ-CHWSQXEVSA-N 2 2 343.284 3.451 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000584433324 459736267 /nfs/dbraw/zinc/73/62/67/459736267.db2.gz VUQCYBUJZHJRLQ-CHWSQXEVSA-N 2 2 343.284 3.451 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)CC2)n1 ZINC000528011400 459795531 /nfs/dbraw/zinc/79/55/31/459795531.db2.gz LAPZQHUXHDJLFX-VMBOVVBDSA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCC3)CC2)n1 ZINC000528011400 459795534 /nfs/dbraw/zinc/79/55/34/459795534.db2.gz LAPZQHUXHDJLFX-VMBOVVBDSA-N 2 2 332.492 3.265 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000545204989 459809100 /nfs/dbraw/zinc/80/91/00/459809100.db2.gz SJZYVKBMNXJVDT-UHFFFAOYSA-N 2 2 346.515 3.491 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)cc2)c[nH+]1 ZINC000585748362 459840457 /nfs/dbraw/zinc/84/04/57/459840457.db2.gz BDGKRJIDUNLUDP-BGYRXZFFSA-N 2 2 344.462 3.441 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)cc2)c[nH+]1 ZINC000585748362 459840460 /nfs/dbraw/zinc/84/04/60/459840460.db2.gz BDGKRJIDUNLUDP-BGYRXZFFSA-N 2 2 344.462 3.441 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+](Cc2ccccc2)C1 ZINC000575219241 459951583 /nfs/dbraw/zinc/95/15/83/459951583.db2.gz ZTYJRRQBPIUKTJ-MJUUVYJYSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000575219241 459951592 /nfs/dbraw/zinc/95/15/92/459951592.db2.gz ZTYJRRQBPIUKTJ-MJUUVYJYSA-N 2 2 330.516 3.285 20 0 EGADLP CCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689942 459971297 /nfs/dbraw/zinc/97/12/97/459971297.db2.gz TWXZJINZVBDIIL-SFHVURJKSA-N 2 2 337.467 3.482 20 0 EGADLP CCCc1[nH+]c2ccccc2n1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588689942 459971301 /nfs/dbraw/zinc/97/13/01/459971301.db2.gz TWXZJINZVBDIIL-SFHVURJKSA-N 2 2 337.467 3.482 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602566113 460000034 /nfs/dbraw/zinc/00/00/34/460000034.db2.gz DFRTYECQJXVKOY-YMXCIHAJSA-N 2 2 334.529 3.101 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602566113 460000042 /nfs/dbraw/zinc/00/00/42/460000042.db2.gz DFRTYECQJXVKOY-YMXCIHAJSA-N 2 2 334.529 3.101 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000602647155 460041492 /nfs/dbraw/zinc/04/14/92/460041492.db2.gz IBNQPSOALNHHEW-KDLAUNOPSA-N 2 2 346.540 3.245 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000602647155 460041497 /nfs/dbraw/zinc/04/14/97/460041497.db2.gz IBNQPSOALNHHEW-KDLAUNOPSA-N 2 2 346.540 3.245 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000575998017 460049871 /nfs/dbraw/zinc/04/98/71/460049871.db2.gz FWEZTXRTPQVYFB-KZNAEPCWSA-N 2 2 344.503 3.184 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000575998017 460049874 /nfs/dbraw/zinc/04/98/74/460049874.db2.gz FWEZTXRTPQVYFB-KZNAEPCWSA-N 2 2 344.503 3.184 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050078 460058151 /nfs/dbraw/zinc/05/81/51/460058151.db2.gz YWQAQAXBSHONJN-IAGOWNOFSA-N 2 2 335.536 3.292 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050078 460058157 /nfs/dbraw/zinc/05/81/57/460058157.db2.gz YWQAQAXBSHONJN-IAGOWNOFSA-N 2 2 335.536 3.292 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000576289560 460109469 /nfs/dbraw/zinc/10/94/69/460109469.db2.gz ILPLDWACOJIWJZ-NQIIRXRSSA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@@H](C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000576289560 460109476 /nfs/dbraw/zinc/10/94/76/460109476.db2.gz ILPLDWACOJIWJZ-NQIIRXRSSA-N 2 2 346.515 3.338 20 0 EGADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc2ccccc2n1 ZINC000576507229 460154981 /nfs/dbraw/zinc/15/49/81/460154981.db2.gz RVKDAARRELAZET-HNNXBMFYSA-N 2 2 333.439 3.213 20 0 EGADLP CC(C)(C)CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000625401540 460162368 /nfs/dbraw/zinc/16/23/68/460162368.db2.gz VORMRPNHBFOVAN-GOSISDBHSA-N 2 2 345.531 3.039 20 0 EGADLP CC(C)(C)CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000625401540 460162374 /nfs/dbraw/zinc/16/23/74/460162374.db2.gz VORMRPNHBFOVAN-GOSISDBHSA-N 2 2 345.531 3.039 20 0 EGADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000622044781 460168949 /nfs/dbraw/zinc/16/89/49/460168949.db2.gz SGETVUPOESSGHB-ZWNOBZJWSA-N 2 2 333.220 3.258 20 0 EGADLP C[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)C1(F)F ZINC000625654681 460230617 /nfs/dbraw/zinc/23/06/17/460230617.db2.gz ZRWSTVPXPZAUQL-HZPDHXFCSA-N 2 2 338.442 3.242 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798894 460267939 /nfs/dbraw/zinc/26/79/39/460267939.db2.gz HPXXKNDJBPISLK-UWJYYQICSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798894 460267943 /nfs/dbraw/zinc/26/79/43/460267943.db2.gz HPXXKNDJBPISLK-UWJYYQICSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798894 460267949 /nfs/dbraw/zinc/26/79/49/460267949.db2.gz HPXXKNDJBPISLK-UWJYYQICSA-N 2 2 342.483 3.361 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](CCc4cnccn4)CC3)[nH+]c2c1 ZINC000631534074 460429978 /nfs/dbraw/zinc/42/99/78/460429978.db2.gz UAIUDTCYIUAZOG-UHFFFAOYSA-N 2 2 347.466 3.006 20 0 EGADLP O[C@@]1(Cn2cc[nH+]c2-c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634645160 460455884 /nfs/dbraw/zinc/45/58/84/460455884.db2.gz IDTOTDNUOLSKNM-NRFANRHFSA-N 2 2 333.435 3.187 20 0 EGADLP O[C@@]1(Cn2cc[nH+]c2-c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634645160 460455890 /nfs/dbraw/zinc/45/58/90/460455890.db2.gz IDTOTDNUOLSKNM-NRFANRHFSA-N 2 2 333.435 3.187 20 0 EGADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1F ZINC000634678961 460471760 /nfs/dbraw/zinc/47/17/60/460471760.db2.gz HYZPCYNDYLXPCN-SFHVURJKSA-N 2 2 326.431 3.098 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4ncccc43)[nH+]c2)C1 ZINC000631612742 460472289 /nfs/dbraw/zinc/47/22/89/460472289.db2.gz YLGRPBQVOIFPBT-VQIMIIECSA-N 2 2 337.471 3.106 20 0 EGADLP COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000631626390 460477706 /nfs/dbraw/zinc/47/77/06/460477706.db2.gz ROIDHNMZPXXQLC-INIZCTEOSA-N 2 2 327.428 3.232 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000631663579 460497883 /nfs/dbraw/zinc/49/78/83/460497883.db2.gz JPDRYYSNACKTQT-AHRSYUTCSA-N 2 2 338.499 3.229 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000631663579 460497894 /nfs/dbraw/zinc/49/78/94/460497894.db2.gz JPDRYYSNACKTQT-AHRSYUTCSA-N 2 2 338.499 3.229 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000623871636 460753021 /nfs/dbraw/zinc/75/30/21/460753021.db2.gz JJMOTKGDJOUKJC-JSGCOSHPSA-N 2 2 348.384 3.342 20 0 EGADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629514868 460790179 /nfs/dbraw/zinc/79/01/79/460790179.db2.gz USJCOHWZGXDRHI-ZFWWWQNUSA-N 2 2 338.377 3.022 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H]1C(F)(F)F ZINC000629559699 460806632 /nfs/dbraw/zinc/80/66/32/460806632.db2.gz BRPPHJWOHFRMNN-JOYOIKCWSA-N 2 2 341.299 3.060 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@H]1C(F)(F)F ZINC000629559699 460806638 /nfs/dbraw/zinc/80/66/38/460806638.db2.gz BRPPHJWOHFRMNN-JOYOIKCWSA-N 2 2 341.299 3.060 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1SC ZINC000629565396 460811489 /nfs/dbraw/zinc/81/14/89/460811489.db2.gz WSUYGOKUUWFBGS-OLZOCXBDSA-N 2 2 348.434 3.376 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1SC ZINC000629565396 460811493 /nfs/dbraw/zinc/81/14/93/460811493.db2.gz WSUYGOKUUWFBGS-OLZOCXBDSA-N 2 2 348.434 3.376 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566556 460812597 /nfs/dbraw/zinc/81/25/97/460812597.db2.gz ZQTXCAURVAEBEV-LSDHHAIUSA-N 2 2 330.394 3.433 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566556 460812604 /nfs/dbraw/zinc/81/26/04/460812604.db2.gz ZQTXCAURVAEBEV-LSDHHAIUSA-N 2 2 330.394 3.433 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477404 460818777 /nfs/dbraw/zinc/81/87/77/460818777.db2.gz SAMVNFGJWBDWJA-FUHWJXTLSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477404 460818780 /nfs/dbraw/zinc/81/87/80/460818780.db2.gz SAMVNFGJWBDWJA-FUHWJXTLSA-N 2 2 337.552 3.076 20 0 EGADLP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000629609664 460826792 /nfs/dbraw/zinc/82/67/92/460826792.db2.gz JVSPEKWXTSUJFX-YSIASYRMSA-N 2 2 349.478 3.468 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c2ccccc21 ZINC000624078155 460847900 /nfs/dbraw/zinc/84/79/00/460847900.db2.gz UPEFDIKLILOZER-QUCCMNQESA-N 2 2 341.499 3.481 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c2ccccc21 ZINC000624078155 460847905 /nfs/dbraw/zinc/84/79/05/460847905.db2.gz UPEFDIKLILOZER-QUCCMNQESA-N 2 2 341.499 3.481 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC[C@@H]1C(F)(F)F ZINC000629655526 460849891 /nfs/dbraw/zinc/84/98/91/460849891.db2.gz LHSLYHRFOXKHKK-KDGLMLOISA-N 2 2 334.332 3.437 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CC[C@@H]1C(F)(F)F ZINC000629655526 460849897 /nfs/dbraw/zinc/84/98/97/460849897.db2.gz LHSLYHRFOXKHKK-KDGLMLOISA-N 2 2 334.332 3.437 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702951 460875522 /nfs/dbraw/zinc/87/55/22/460875522.db2.gz XSMMWGAXFSNBTA-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702951 460875529 /nfs/dbraw/zinc/87/55/29/460875529.db2.gz XSMMWGAXFSNBTA-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc([C@@H]3COCC[NH2+]3)cc2)c1 ZINC000629731441 460893794 /nfs/dbraw/zinc/89/37/94/460893794.db2.gz JZRKHEWWXLFESF-FQEVSTJZSA-N 2 2 337.398 3.398 20 0 EGADLP CC(C)(C)c1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000607751705 460898227 /nfs/dbraw/zinc/89/82/27/460898227.db2.gz IUQDHMUTFSWTAK-GOSISDBHSA-N 2 2 346.515 3.017 20 0 EGADLP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000607751705 460898231 /nfs/dbraw/zinc/89/82/31/460898231.db2.gz IUQDHMUTFSWTAK-GOSISDBHSA-N 2 2 346.515 3.017 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190339 461042511 /nfs/dbraw/zinc/04/25/11/461042511.db2.gz CMTKMCSMBRUSKP-KSSFIOAISA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190339 461042514 /nfs/dbraw/zinc/04/25/14/461042514.db2.gz CMTKMCSMBRUSKP-KSSFIOAISA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190339 461042515 /nfs/dbraw/zinc/04/25/15/461042515.db2.gz CMTKMCSMBRUSKP-KSSFIOAISA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190339 461042516 /nfs/dbraw/zinc/04/25/16/461042516.db2.gz CMTKMCSMBRUSKP-KSSFIOAISA-N 2 2 349.469 3.480 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000628190652 461043062 /nfs/dbraw/zinc/04/30/62/461043062.db2.gz MGQZWYGCGGBMPI-CZUORRHYSA-N 2 2 334.414 3.310 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000628190652 461043066 /nfs/dbraw/zinc/04/30/66/461043066.db2.gz MGQZWYGCGGBMPI-CZUORRHYSA-N 2 2 334.414 3.310 20 0 EGADLP Cc1c[nH]c(CN(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000628278159 461070052 /nfs/dbraw/zinc/07/00/52/461070052.db2.gz CKASXTXLHUWVEV-UHFFFAOYSA-N 2 2 340.393 3.301 20 0 EGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641111634 461116409 /nfs/dbraw/zinc/11/64/09/461116409.db2.gz FBJCQBSFFKWRLY-UHFFFAOYSA-N 2 2 327.476 3.182 20 0 EGADLP C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637904494 461118488 /nfs/dbraw/zinc/11/84/88/461118488.db2.gz WZOVKCUXPXXYEJ-KRWDZBQOSA-N 2 2 344.455 3.184 20 0 EGADLP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637904494 461118495 /nfs/dbraw/zinc/11/84/95/461118495.db2.gz WZOVKCUXPXXYEJ-KRWDZBQOSA-N 2 2 344.455 3.184 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)n1 ZINC000652344413 461140654 /nfs/dbraw/zinc/14/06/54/461140654.db2.gz BOGGKXSPNKFXHW-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP CC(C)(CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCCCC1 ZINC000630478820 461149842 /nfs/dbraw/zinc/14/98/42/461149842.db2.gz XYUYOJFCHNTKQH-UHFFFAOYSA-N 2 2 326.444 3.071 20 0 EGADLP CC(C)(C)c1cc[nH+]c(NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000641280337 461200467 /nfs/dbraw/zinc/20/04/67/461200467.db2.gz GGUNZJOMBZQNPK-UHFFFAOYSA-N 2 2 326.444 3.223 20 0 EGADLP CC[C@@H](OCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649600574 461209882 /nfs/dbraw/zinc/20/98/82/461209882.db2.gz MCZMMWOCFKKTDV-TZIWHRDSSA-N 2 2 346.515 3.199 20 0 EGADLP CC[C@@H](OCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649600574 461209886 /nfs/dbraw/zinc/20/98/86/461209886.db2.gz MCZMMWOCFKKTDV-TZIWHRDSSA-N 2 2 346.515 3.199 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638066143 461223697 /nfs/dbraw/zinc/22/36/97/461223697.db2.gz DEMGDIGTFAIQBI-UYAOXDASSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638066143 461223710 /nfs/dbraw/zinc/22/37/10/461223710.db2.gz DEMGDIGTFAIQBI-UYAOXDASSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638066143 461223719 /nfs/dbraw/zinc/22/37/19/461223719.db2.gz DEMGDIGTFAIQBI-UYAOXDASSA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638066143 461223730 /nfs/dbraw/zinc/22/37/30/461223730.db2.gz DEMGDIGTFAIQBI-UYAOXDASSA-N 2 2 338.499 3.325 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)cc1O ZINC000638119898 461254021 /nfs/dbraw/zinc/25/40/21/461254021.db2.gz BHZZPGZOZCXILF-CQSZACIVSA-N 2 2 338.879 3.362 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)cc1O ZINC000638119898 461254025 /nfs/dbraw/zinc/25/40/25/461254025.db2.gz BHZZPGZOZCXILF-CQSZACIVSA-N 2 2 338.879 3.362 20 0 EGADLP Cn1c2ccc(NC(=O)c3cccc4c3C[NH2+]C4)cc2[nH+]c1C1CC1 ZINC000662509076 461275535 /nfs/dbraw/zinc/27/55/35/461275535.db2.gz KGOHOGVMWLXOAC-UHFFFAOYSA-N 2 2 332.407 3.306 20 0 EGADLP CC[C@H]1COC(C)(C)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717942 461300555 /nfs/dbraw/zinc/30/05/55/461300555.db2.gz POZDLTOFVPCKSO-VQTJNVASSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@H]1COC(C)(C)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649717942 461300562 /nfs/dbraw/zinc/30/05/62/461300562.db2.gz POZDLTOFVPCKSO-VQTJNVASSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000649717942 461300566 /nfs/dbraw/zinc/30/05/66/461300566.db2.gz POZDLTOFVPCKSO-VQTJNVASSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000649717942 461300573 /nfs/dbraw/zinc/30/05/73/461300573.db2.gz POZDLTOFVPCKSO-VQTJNVASSA-N 2 2 346.515 3.167 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1C ZINC000668494584 461305206 /nfs/dbraw/zinc/30/52/06/461305206.db2.gz UYTQSQDJCSWMEG-UHFFFAOYSA-N 2 2 339.270 3.358 20 0 EGADLP COc1cc(C[C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)ccn1 ZINC000638297368 461352201 /nfs/dbraw/zinc/35/22/01/461352201.db2.gz CNSQGIQVHPEHHS-OAHLLOKOSA-N 2 2 338.455 3.359 20 0 EGADLP COc1cccc(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000638304037 461356705 /nfs/dbraw/zinc/35/67/05/461356705.db2.gz AGJVUWYLHHXHCT-UHFFFAOYSA-N 2 2 340.467 3.126 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Cl)nc2C)CC1 ZINC000655710873 461379976 /nfs/dbraw/zinc/37/99/76/461379976.db2.gz FRBJNGNEHUCMIA-UHFFFAOYSA-N 2 2 332.879 3.408 20 0 EGADLP Fc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000655713439 461383187 /nfs/dbraw/zinc/38/31/87/461383187.db2.gz MLULVCIDBYCFTL-MRXNPFEDSA-N 2 2 344.430 3.429 20 0 EGADLP Cc1csc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)n1 ZINC000655720540 461388238 /nfs/dbraw/zinc/38/82/38/461388238.db2.gz YYLFKPJZFAJGAS-IRXDYDNUSA-N 2 2 335.517 3.136 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000655719419 461389756 /nfs/dbraw/zinc/38/97/56/461389756.db2.gz SVIMDZMUZFSTSD-CQSZACIVSA-N 2 2 343.862 3.457 20 0 EGADLP CCOc1cc(C)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655723681 461393563 /nfs/dbraw/zinc/39/35/63/461393563.db2.gz RMICFJIOTSVTOZ-LJQANCHMSA-N 2 2 332.488 3.127 20 0 EGADLP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655729617 461396276 /nfs/dbraw/zinc/39/62/76/461396276.db2.gz MCTQYISLMWTLQT-SLFFLAALSA-N 2 2 332.463 3.305 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(F)cc2O1 ZINC000655733164 461402100 /nfs/dbraw/zinc/40/21/00/461402100.db2.gz JQBUYNVOJSINNH-SJLPKXTDSA-N 2 2 348.462 3.271 20 0 EGADLP COc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000638447142 461431927 /nfs/dbraw/zinc/43/19/27/461431927.db2.gz FDFTWIHNZDDYNV-CYBMUJFWSA-N 2 2 337.514 3.215 20 0 EGADLP COc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000638447142 461431928 /nfs/dbraw/zinc/43/19/28/461431928.db2.gz FDFTWIHNZDDYNV-CYBMUJFWSA-N 2 2 337.514 3.215 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655771316 461435735 /nfs/dbraw/zinc/43/57/35/461435735.db2.gz HMYFOPPKBBUKSR-HNNXBMFYSA-N 2 2 327.819 3.347 20 0 EGADLP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655776699 461440770 /nfs/dbraw/zinc/44/07/70/461440770.db2.gz LTQYHEBQFASROW-JJRVBVJISA-N 2 2 338.854 3.178 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527348 461468381 /nfs/dbraw/zinc/46/83/81/461468381.db2.gz PQGUSWVYIHSVEJ-ICSRJNTNSA-N 2 2 341.499 3.003 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527348 461468389 /nfs/dbraw/zinc/46/83/89/461468389.db2.gz PQGUSWVYIHSVEJ-ICSRJNTNSA-N 2 2 341.499 3.003 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000653084625 461493192 /nfs/dbraw/zinc/49/31/92/461493192.db2.gz MJVVMQMTLSLJMG-RBUKOAKNSA-N 2 2 331.504 3.093 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849026 461495255 /nfs/dbraw/zinc/49/52/55/461495255.db2.gz OQZBUSVAKSYBAT-WMQCIHAUSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849026 461495264 /nfs/dbraw/zinc/49/52/64/461495264.db2.gz OQZBUSVAKSYBAT-WMQCIHAUSA-N 3 2 345.531 3.295 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849118 461495309 /nfs/dbraw/zinc/49/53/09/461495309.db2.gz NDEQUEWMGOJRPX-JZXOWHBKSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849118 461495319 /nfs/dbraw/zinc/49/53/19/461495319.db2.gz NDEQUEWMGOJRPX-JZXOWHBKSA-N 2 2 345.487 3.019 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848044 461496798 /nfs/dbraw/zinc/49/67/98/461496798.db2.gz AAOVKODQDHXWQQ-AQNXPRMDSA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848044 461496804 /nfs/dbraw/zinc/49/68/04/461496804.db2.gz AAOVKODQDHXWQQ-AQNXPRMDSA-N 2 2 334.479 3.380 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848299 461496823 /nfs/dbraw/zinc/49/68/23/461496823.db2.gz DCXVIEFZHRKIDX-GQGLESIBSA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848299 461496832 /nfs/dbraw/zinc/49/68/32/461496832.db2.gz DCXVIEFZHRKIDX-GQGLESIBSA-N 2 2 332.492 3.265 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855642 461504186 /nfs/dbraw/zinc/50/41/86/461504186.db2.gz FRIOWPCXGMPULC-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855642 461504193 /nfs/dbraw/zinc/50/41/93/461504193.db2.gz FRIOWPCXGMPULC-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP Cc1nc(NC[C@H](c2ccco2)[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000663327668 461561681 /nfs/dbraw/zinc/56/16/81/461561681.db2.gz OAAZAKZBCDIEDR-LLVKDONJSA-N 2 2 339.237 3.164 20 0 EGADLP C[C@@H]1CN(c2ccc(CNc3[nH+]ccc4[nH]ccc43)c[nH+]2)C[C@@H](C)O1 ZINC000663390393 461611721 /nfs/dbraw/zinc/61/17/21/461611721.db2.gz HWNMMAKJQHDCPP-ZIAGYGMSSA-N 2 2 337.427 3.184 20 0 EGADLP Brc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000631177901 461615448 /nfs/dbraw/zinc/61/54/48/461615448.db2.gz BNYBJVCBMDGKQL-AWEZNQCLSA-N 2 2 338.293 3.056 20 0 EGADLP Brc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631177901 461615454 /nfs/dbraw/zinc/61/54/54/461615454.db2.gz BNYBJVCBMDGKQL-AWEZNQCLSA-N 2 2 338.293 3.056 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000653484337 461667660 /nfs/dbraw/zinc/66/76/60/461667660.db2.gz ALXNZKHLHHRJHE-UHFFFAOYSA-N 2 2 343.471 3.208 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000653484337 461667672 /nfs/dbraw/zinc/66/76/72/461667672.db2.gz ALXNZKHLHHRJHE-UHFFFAOYSA-N 2 2 343.471 3.208 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]1 ZINC000643452643 461730506 /nfs/dbraw/zinc/73/05/06/461730506.db2.gz VUHLZSVIGNHUGQ-IFXJQAMLSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@@H]1C[NH3+] ZINC000647496803 461735120 /nfs/dbraw/zinc/73/51/20/461735120.db2.gz UFAJGJTWCWPOJX-RDTXWAMCSA-N 2 2 332.879 3.144 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@@H]1C[NH3+] ZINC000647496803 461735128 /nfs/dbraw/zinc/73/51/28/461735128.db2.gz UFAJGJTWCWPOJX-RDTXWAMCSA-N 2 2 332.879 3.144 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)c(C)c2c1 ZINC000643461772 461735543 /nfs/dbraw/zinc/73/55/43/461735543.db2.gz OXTOCYBULBTYKY-SNPRPXQTSA-N 2 2 332.444 3.167 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643502038 461746739 /nfs/dbraw/zinc/74/67/39/461746739.db2.gz WKZNKRIMAQZVBL-YJBOKZPZSA-N 2 2 332.492 3.353 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643511781 461750383 /nfs/dbraw/zinc/75/03/83/461750383.db2.gz MSIQHUUDDHXKRU-BZUAXINKSA-N 2 2 341.293 3.242 20 0 EGADLP Brc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643515841 461751293 /nfs/dbraw/zinc/75/12/93/461751293.db2.gz UDNXWNMXQYNPCE-HRCADAONSA-N 2 2 339.277 3.011 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000643522382 461752973 /nfs/dbraw/zinc/75/29/73/461752973.db2.gz MJBPWPYDOWOPQQ-IUODEOHRSA-N 2 2 333.867 3.022 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)C1 ZINC000643537955 461758520 /nfs/dbraw/zinc/75/85/20/461758520.db2.gz VKIITDYRDOXWMB-SOUVJXGZSA-N 2 2 331.460 3.477 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000643538579 461759117 /nfs/dbraw/zinc/75/91/17/461759117.db2.gz NYIRTSSODVSNII-ZIBATOQPSA-N 2 2 327.241 3.116 20 0 EGADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000643538552 461759655 /nfs/dbraw/zinc/75/96/55/461759655.db2.gz MYLPHIGRNYWWSJ-IHRRRGAJSA-N 2 2 327.241 3.034 20 0 EGADLP CO[C@@H](Cc1ccccc1)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639178272 461786121 /nfs/dbraw/zinc/78/61/21/461786121.db2.gz GXVNHOXXYWYKDA-NRFANRHFSA-N 2 2 342.483 3.434 20 0 EGADLP CO[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000639178272 461786128 /nfs/dbraw/zinc/78/61/28/461786128.db2.gz GXVNHOXXYWYKDA-NRFANRHFSA-N 2 2 342.483 3.434 20 0 EGADLP COc1cc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)on1 ZINC000660452314 461786613 /nfs/dbraw/zinc/78/66/13/461786613.db2.gz RWOCNWCGBNGRNZ-UHFFFAOYSA-N 2 2 326.400 3.178 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000666747990 461788587 /nfs/dbraw/zinc/78/85/87/461788587.db2.gz GCVCPYGUPOIPNL-UHFFFAOYSA-N 3 2 333.520 3.029 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769714 461795962 /nfs/dbraw/zinc/79/59/62/461795962.db2.gz CTJKNXKIYDGQFL-KRWDZBQOSA-N 2 2 346.906 3.433 20 0 EGADLP C[C@H](CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476651 461800941 /nfs/dbraw/zinc/80/09/41/461800941.db2.gz DKJYXFYHGVFVDB-TZIWHRDSSA-N 2 2 346.515 3.169 20 0 EGADLP C[C@H](CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476651 461800946 /nfs/dbraw/zinc/80/09/46/461800946.db2.gz DKJYXFYHGVFVDB-TZIWHRDSSA-N 2 2 346.515 3.169 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000639222691 461811687 /nfs/dbraw/zinc/81/16/87/461811687.db2.gz ZRHXPGRANFMQKH-SJLPKXTDSA-N 2 2 339.487 3.386 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000639222691 461811693 /nfs/dbraw/zinc/81/16/93/461811693.db2.gz ZRHXPGRANFMQKH-SJLPKXTDSA-N 2 2 339.487 3.386 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000647789132 461835624 /nfs/dbraw/zinc/83/56/24/461835624.db2.gz ZDKPRZKVIXWXLC-ANTGDGSKSA-N 3 2 345.531 3.056 20 0 EGADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1c(Cl)cccc1Cl ZINC000647814215 461847636 /nfs/dbraw/zinc/84/76/36/461847636.db2.gz CWNDVQVVYHXYRG-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1c(Cl)cccc1Cl ZINC000647814215 461847643 /nfs/dbraw/zinc/84/76/43/461847643.db2.gz CWNDVQVVYHXYRG-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP c1ccc(-n2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c3c2CCC3)cc1 ZINC000647815268 461850036 /nfs/dbraw/zinc/85/00/36/461850036.db2.gz WUSVHIGLESVLDZ-UHFFFAOYSA-N 2 2 336.483 3.077 20 0 EGADLP c1ccc(-n2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c3c2CCC3)cc1 ZINC000647815268 461850040 /nfs/dbraw/zinc/85/00/40/461850040.db2.gz WUSVHIGLESVLDZ-UHFFFAOYSA-N 2 2 336.483 3.077 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)o1 ZINC000650671232 461880600 /nfs/dbraw/zinc/88/06/00/461880600.db2.gz CAGMZGQMYMSSEQ-INIZCTEOSA-N 2 2 344.459 3.078 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(-c2ccccc2)cc1OC ZINC000666946576 461883167 /nfs/dbraw/zinc/88/31/67/461883167.db2.gz JVHNLPVXWWPHNO-IRXDYDNUSA-N 2 2 344.430 3.160 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000639368687 461889591 /nfs/dbraw/zinc/88/95/91/461889591.db2.gz FKJDFLUNLIPKPU-UHOFOFEASA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000639368687 461889596 /nfs/dbraw/zinc/88/95/96/461889596.db2.gz FKJDFLUNLIPKPU-UHOFOFEASA-N 2 2 329.271 3.071 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647924791 461889703 /nfs/dbraw/zinc/88/97/03/461889703.db2.gz KNXVAEYKCXRUFP-IBGZPJMESA-N 2 2 337.467 3.488 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647938757 461895907 /nfs/dbraw/zinc/89/59/07/461895907.db2.gz UEJMOLQWOIUITG-XJKCOSOUSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@H]1[NH3+] ZINC000647938757 461895911 /nfs/dbraw/zinc/89/59/11/461895911.db2.gz UEJMOLQWOIUITG-XJKCOSOUSA-N 2 2 332.423 3.304 20 0 EGADLP CCN(C)c1ccc(C[NH+]2CCC(CC)([NH+]3CCCC3)CC2)cn1 ZINC000639376003 461896011 /nfs/dbraw/zinc/89/60/11/461896011.db2.gz OSZOGJWJCSKLNU-UHFFFAOYSA-N 2 2 330.520 3.378 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656277 461906979 /nfs/dbraw/zinc/90/69/79/461906979.db2.gz TUCXTIYZYIRZBX-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656277 461906982 /nfs/dbraw/zinc/90/69/82/461906982.db2.gz TUCXTIYZYIRZBX-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656277 461906990 /nfs/dbraw/zinc/90/69/90/461906990.db2.gz TUCXTIYZYIRZBX-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656277 461906995 /nfs/dbraw/zinc/90/69/95/461906995.db2.gz TUCXTIYZYIRZBX-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968238 461911303 /nfs/dbraw/zinc/91/13/03/461911303.db2.gz WOUICEDXNCCAQF-XLIONFOSSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968238 461911309 /nfs/dbraw/zinc/91/13/09/461911309.db2.gz WOUICEDXNCCAQF-XLIONFOSSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968238 461911312 /nfs/dbraw/zinc/91/13/12/461911312.db2.gz WOUICEDXNCCAQF-XLIONFOSSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000647968238 461911318 /nfs/dbraw/zinc/91/13/18/461911318.db2.gz WOUICEDXNCCAQF-XLIONFOSSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000660694775 461927322 /nfs/dbraw/zinc/92/73/22/461927322.db2.gz HHMAGXQFXBSBIT-SFHVURJKSA-N 2 2 336.907 3.400 20 0 EGADLP C[NH2+]Cc1ccccc1C[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000650757367 461937782 /nfs/dbraw/zinc/93/77/82/461937782.db2.gz VJPGEUKENYPDPP-IBGZPJMESA-N 2 2 338.430 3.158 20 0 EGADLP O[C@@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Cc1cccc(Cl)c1 ZINC000644529030 461971960 /nfs/dbraw/zinc/97/19/60/461971960.db2.gz JLZIZFMHPJOCKQ-MRXNPFEDSA-N 2 2 343.858 3.342 20 0 EGADLP C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000644624188 462015335 /nfs/dbraw/zinc/01/53/35/462015335.db2.gz SGEANEFJHZLIPI-MGPUTAFESA-N 2 2 343.446 3.435 20 0 EGADLP Cc1c[nH]c(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)[nH+]1 ZINC000657322250 462043790 /nfs/dbraw/zinc/04/37/90/462043790.db2.gz SWYZHTYLMNEWNP-UHFFFAOYSA-N 2 2 341.459 3.145 20 0 EGADLP COc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1OC1CCCC1 ZINC000657360734 462070931 /nfs/dbraw/zinc/07/09/31/462070931.db2.gz QNTKJXFCGDXXEM-UHFFFAOYSA-N 2 2 341.455 3.449 20 0 EGADLP Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657382401 462085907 /nfs/dbraw/zinc/08/59/07/462085907.db2.gz JVTXVMJBDSEDQG-FXAWDEMLSA-N 2 2 325.456 3.395 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)C1 ZINC000664597426 462119929 /nfs/dbraw/zinc/11/99/29/462119929.db2.gz OAHNSABHQAHYCR-CYBMUJFWSA-N 2 2 349.837 3.063 20 0 EGADLP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)C1 ZINC000664597426 462119931 /nfs/dbraw/zinc/11/99/31/462119931.db2.gz OAHNSABHQAHYCR-CYBMUJFWSA-N 2 2 349.837 3.063 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657480711 462149293 /nfs/dbraw/zinc/14/92/93/462149293.db2.gz UIRVIAIEQFNBKH-PZJWPPBQSA-N 2 2 346.515 3.454 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667587328 462161317 /nfs/dbraw/zinc/16/13/17/462161317.db2.gz NSDYKZYQEPFAIW-FUHWJXTLSA-N 2 2 329.444 3.134 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667587328 462161321 /nfs/dbraw/zinc/16/13/21/462161321.db2.gz NSDYKZYQEPFAIW-FUHWJXTLSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983237 462205099 /nfs/dbraw/zinc/20/50/99/462205099.db2.gz PVFXOFNEBNKVCK-GOSISDBHSA-N 2 2 343.515 3.156 20 0 EGADLP Clc1ccc(C[C@]2([NH2+]CCCn3cc[nH+]c3)CCCOC2)cc1 ZINC000661429309 462244348 /nfs/dbraw/zinc/24/43/48/462244348.db2.gz YBZJUJQBUQDIJF-GOSISDBHSA-N 2 2 333.863 3.308 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657743119 462248835 /nfs/dbraw/zinc/24/88/35/462248835.db2.gz ZQFVLJXZBNCNPF-SFHVURJKSA-N 2 2 335.923 3.378 20 0 EGADLP CCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657743119 462248838 /nfs/dbraw/zinc/24/88/38/462248838.db2.gz ZQFVLJXZBNCNPF-SFHVURJKSA-N 2 2 335.923 3.378 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000657752255 462251173 /nfs/dbraw/zinc/25/11/73/462251173.db2.gz OHZKMNBCQUKLDF-AWEZNQCLSA-N 2 2 326.843 3.130 20 0 EGADLP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)oc21 ZINC000657751439 462251632 /nfs/dbraw/zinc/25/16/32/462251632.db2.gz JGLRUNFIDMKPMB-GOSISDBHSA-N 2 2 328.456 3.338 20 0 EGADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC000651731388 462318647 /nfs/dbraw/zinc/31/86/47/462318647.db2.gz MUEGGXWOVGUVJG-UHFFFAOYSA-N 2 2 336.451 3.340 20 0 EGADLP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808164 462344126 /nfs/dbraw/zinc/34/41/26/462344126.db2.gz HVIIQRFZNFNRIM-SFHVURJKSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808164 462344131 /nfs/dbraw/zinc/34/41/31/462344131.db2.gz HVIIQRFZNFNRIM-SFHVURJKSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808164 462344136 /nfs/dbraw/zinc/34/41/36/462344136.db2.gz HVIIQRFZNFNRIM-SFHVURJKSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000651808164 462344138 /nfs/dbraw/zinc/34/41/38/462344138.db2.gz HVIIQRFZNFNRIM-SFHVURJKSA-N 2 2 335.923 3.249 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000668004611 462369550 /nfs/dbraw/zinc/36/95/50/462369550.db2.gz HTGSKDOHVZKCIN-QZTJIDSGSA-N 2 2 340.471 3.167 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cncc(F)c1 ZINC000665253252 462370964 /nfs/dbraw/zinc/37/09/64/462370964.db2.gz LPSIXEIEMLXCGC-PZDGAKPMSA-N 2 2 335.373 3.295 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000654757656 462373875 /nfs/dbraw/zinc/37/38/75/462373875.db2.gz DAYSTNOEWDZINI-ZWKOTPCHSA-N 2 2 349.906 3.030 20 0 EGADLP CC[C@H]([NH2+]Cc1cc(-c2ccc(OC)cc2)no1)[C@@H]1CCCC[NH2+]1 ZINC000665261386 462374613 /nfs/dbraw/zinc/37/46/13/462374613.db2.gz AVUPDLYUYITYCK-ROUUACIJSA-N 2 2 329.444 3.361 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283678 462383115 /nfs/dbraw/zinc/38/31/15/462383115.db2.gz SBUNJYXJHOQERI-LRDDRELGSA-N 2 2 338.373 3.475 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)[C@@H]1CCCC[NH2+]1 ZINC000665293840 462388257 /nfs/dbraw/zinc/38/82/57/462388257.db2.gz DKVWNEASDIPTKR-AHRSYUTCSA-N 2 2 332.488 3.002 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134287 462444750 /nfs/dbraw/zinc/44/47/50/462444750.db2.gz ORDVIGMXYBPRIE-HOTGVXAUSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134287 462444755 /nfs/dbraw/zinc/44/47/55/462444755.db2.gz ORDVIGMXYBPRIE-HOTGVXAUSA-N 2 2 336.476 3.237 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640602239 462451823 /nfs/dbraw/zinc/45/18/23/462451823.db2.gz UVCUDBHPGJLRPL-OAHLLOKOSA-N 2 2 342.447 3.123 20 0 EGADLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156521 462454831 /nfs/dbraw/zinc/45/48/31/462454831.db2.gz FUMFGFGIJZHTLH-HOCLYGCPSA-N 2 2 336.476 3.095 20 0 EGADLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156521 462454834 /nfs/dbraw/zinc/45/48/34/462454834.db2.gz FUMFGFGIJZHTLH-HOCLYGCPSA-N 2 2 336.476 3.095 20 0 EGADLP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293489 462460524 /nfs/dbraw/zinc/46/05/24/462460524.db2.gz ATAHWNJKUTZYEZ-VGOFRKELSA-N 2 2 342.527 3.339 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658292823 462460534 /nfs/dbraw/zinc/46/05/34/462460534.db2.gz BVBDSPKCFBFTML-NJYVYQBISA-N 2 2 328.500 3.340 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2[nH+]1 ZINC000649297602 462470902 /nfs/dbraw/zinc/47/09/02/462470902.db2.gz GMFBDGKVMBGRFU-LBPRGKRZSA-N 2 2 336.386 3.089 20 0 EGADLP CC(C)([NH3+])CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000649301958 462472434 /nfs/dbraw/zinc/47/24/34/462472434.db2.gz AQWLPCRNPJIFLQ-UHFFFAOYSA-N 2 2 326.444 3.342 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@H]1[NH3+] ZINC000649416476 462503686 /nfs/dbraw/zinc/50/36/86/462503686.db2.gz BIIAORVBBNWNHI-SUMWQHHRSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@H]1[NH3+] ZINC000649416476 462503692 /nfs/dbraw/zinc/50/36/92/462503692.db2.gz BIIAORVBBNWNHI-SUMWQHHRSA-N 2 2 331.485 3.378 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccncc3Cl)[nH+]c2)CC1 ZINC000527672810 478471417 /nfs/dbraw/zinc/47/14/17/478471417.db2.gz AYGPNHARHNHUGS-UHFFFAOYSA-N 2 2 345.878 3.273 20 0 EGADLP CC1CC[NH+]([C@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CC1 ZINC000607141823 479781007 /nfs/dbraw/zinc/78/10/07/479781007.db2.gz RFBGZVBIHYIKFX-OAHLLOKOSA-N 2 2 345.516 3.489 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cn1 ZINC000271328229 518178132 /nfs/dbraw/zinc/17/81/32/518178132.db2.gz LGPOWLNWGVKAQW-HZPDHXFCSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cn1 ZINC000271328229 518178133 /nfs/dbraw/zinc/17/81/33/518178133.db2.gz LGPOWLNWGVKAQW-HZPDHXFCSA-N 2 2 343.446 3.292 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000187964501 529024647 /nfs/dbraw/zinc/02/46/47/529024647.db2.gz NLGQJGVEMFRRCP-QAPCUYQASA-N 2 2 330.451 3.348 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000187964501 529024653 /nfs/dbraw/zinc/02/46/53/529024653.db2.gz NLGQJGVEMFRRCP-QAPCUYQASA-N 2 2 330.451 3.348 20 0 EGADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000186816633 535026683 /nfs/dbraw/zinc/02/66/83/535026683.db2.gz WTFUNUKVVLMHBS-UHFFFAOYSA-N 2 2 328.460 3.109 20 0 EGADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246512409 535898443 /nfs/dbraw/zinc/89/84/43/535898443.db2.gz IGGGRNXCXGKAAO-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246512409 535898450 /nfs/dbraw/zinc/89/84/50/535898450.db2.gz IGGGRNXCXGKAAO-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246512409 535898454 /nfs/dbraw/zinc/89/84/54/535898454.db2.gz IGGGRNXCXGKAAO-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246512409 535898459 /nfs/dbraw/zinc/89/84/59/535898459.db2.gz IGGGRNXCXGKAAO-PXNSSMCTSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178328341 536123566 /nfs/dbraw/zinc/12/35/66/536123566.db2.gz LFBUJVJOJNMCAU-DZGCQCFKSA-N 2 2 325.522 3.021 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178328341 536123569 /nfs/dbraw/zinc/12/35/69/536123569.db2.gz LFBUJVJOJNMCAU-DZGCQCFKSA-N 2 2 325.522 3.021 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000126062250 546757434 /nfs/dbraw/zinc/75/74/34/546757434.db2.gz WMTJSJQNZZBFGP-AUUYWEPGSA-N 2 2 334.423 3.058 20 0 EGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000165346531 546984040 /nfs/dbraw/zinc/98/40/40/546984040.db2.gz AOFRAOUCEVJNCC-UHFFFAOYSA-N 3 2 333.495 3.254 20 0 EGADLP CCc1cc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000272809722 547347365 /nfs/dbraw/zinc/34/73/65/547347365.db2.gz CJILSSGGXVBJDN-UHFFFAOYSA-N 2 2 337.402 3.235 20 0 EGADLP C[C@@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282417 547573857 /nfs/dbraw/zinc/57/38/57/547573857.db2.gz SNBVJTHTWHXMDF-DLBZAZTESA-N 2 2 340.471 3.314 20 0 EGADLP C[C@@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282417 547573861 /nfs/dbraw/zinc/57/38/61/547573861.db2.gz SNBVJTHTWHXMDF-DLBZAZTESA-N 2 2 340.471 3.314 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344373000 547609912 /nfs/dbraw/zinc/60/99/12/547609912.db2.gz KMGCQZSPNJJLPV-BZNIZROVSA-N 2 2 336.277 3.013 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344373000 547609917 /nfs/dbraw/zinc/60/99/17/547609917.db2.gz KMGCQZSPNJJLPV-BZNIZROVSA-N 2 2 336.277 3.013 20 0 EGADLP C([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCSCC1 ZINC000344415067 547610759 /nfs/dbraw/zinc/61/07/59/547610759.db2.gz YWSPVJIWFISFAF-UHFFFAOYSA-N 2 2 326.550 3.002 20 0 EGADLP Cc1ccc(CCCNc2cccc(C[NH+]3CCOCC3)c2)c[nH+]1 ZINC000353791449 547697696 /nfs/dbraw/zinc/69/76/96/547697696.db2.gz KKNLHSVUCHIIQZ-UHFFFAOYSA-N 2 2 325.456 3.267 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ncc1Br ZINC000628146876 548135281 /nfs/dbraw/zinc/13/52/81/548135281.db2.gz BURKILFLFIBRSB-LBPRGKRZSA-N 2 2 335.249 3.255 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ncc1Br ZINC000628146876 548135290 /nfs/dbraw/zinc/13/52/90/548135290.db2.gz BURKILFLFIBRSB-LBPRGKRZSA-N 2 2 335.249 3.255 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670271186 548195563 /nfs/dbraw/zinc/19/55/63/548195563.db2.gz IXJYWXMRYVLERC-TZIWHRDSSA-N 2 2 330.516 3.300 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670271186 548195567 /nfs/dbraw/zinc/19/55/67/548195567.db2.gz IXJYWXMRYVLERC-TZIWHRDSSA-N 2 2 330.516 3.300 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985540 548243303 /nfs/dbraw/zinc/24/33/03/548243303.db2.gz CMVHYKJOPHVSQX-KRWDZBQOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985540 548243307 /nfs/dbraw/zinc/24/33/07/548243307.db2.gz CMVHYKJOPHVSQX-KRWDZBQOSA-N 2 2 338.879 3.035 20 0 EGADLP C[N@H+](CCOC(C)(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671241635 548265963 /nfs/dbraw/zinc/26/59/63/548265963.db2.gz AFNFMFHSKGOQJV-LJQANCHMSA-N 2 2 334.504 3.024 20 0 EGADLP C[N@@H+](CCOC(C)(C)C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671241635 548265967 /nfs/dbraw/zinc/26/59/67/548265967.db2.gz AFNFMFHSKGOQJV-LJQANCHMSA-N 2 2 334.504 3.024 20 0 EGADLP C[NH+](CCOC(C)(C)C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671241635 548265970 /nfs/dbraw/zinc/26/59/70/548265970.db2.gz AFNFMFHSKGOQJV-LJQANCHMSA-N 2 2 334.504 3.024 20 0 EGADLP C[NH+](CCOC(C)(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671241635 548265973 /nfs/dbraw/zinc/26/59/73/548265973.db2.gz AFNFMFHSKGOQJV-LJQANCHMSA-N 2 2 334.504 3.024 20 0 EGADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@H]2CCOc3ccccc32)cc1 ZINC000671312278 548277505 /nfs/dbraw/zinc/27/75/05/548277505.db2.gz NKQKQUSNKRKESW-YLJYHZDGSA-N 2 2 340.467 3.454 20 0 EGADLP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671686051 548333915 /nfs/dbraw/zinc/33/39/15/548333915.db2.gz WUUXSERPFPNZPV-INIZCTEOSA-N 2 2 342.487 3.154 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)Nc1cc(-n2cc[nH+]c2)ncn1)[NH+](C)C ZINC000672343011 548427387 /nfs/dbraw/zinc/42/73/87/548427387.db2.gz BHWBAQZAKSUZIR-KXBFYZLASA-N 2 2 336.443 3.074 20 0 EGADLP Cc1cccn2cc(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000675551556 548936065 /nfs/dbraw/zinc/93/60/65/548936065.db2.gz JXWFRKHUSNBNMA-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2cc(CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000675551556 548936066 /nfs/dbraw/zinc/93/60/66/548936066.db2.gz JXWFRKHUSNBNMA-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000675898005 548999944 /nfs/dbraw/zinc/99/99/44/548999944.db2.gz CFHXJSHPJQIVTF-UTKZUKDTSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000675898005 548999950 /nfs/dbraw/zinc/99/99/50/548999950.db2.gz CFHXJSHPJQIVTF-UTKZUKDTSA-N 2 2 342.458 3.422 20 0 EGADLP O[C@]1(C[NH2+]Cc2cscc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000676418213 549085617 /nfs/dbraw/zinc/08/56/17/549085617.db2.gz LFJCBQWBMXCMST-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@]1(C[NH2+]Cc2cscc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000676418213 549085622 /nfs/dbraw/zinc/08/56/22/549085622.db2.gz LFJCBQWBMXCMST-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cscc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000676418215 549085959 /nfs/dbraw/zinc/08/59/59/549085959.db2.gz LFJCBQWBMXCMST-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cscc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000676418215 549085961 /nfs/dbraw/zinc/08/59/61/549085961.db2.gz LFJCBQWBMXCMST-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000676587988 549113130 /nfs/dbraw/zinc/11/31/30/549113130.db2.gz NDIAXIFXDHXMOG-UHFFFAOYSA-N 2 2 341.455 3.093 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000677981266 549368909 /nfs/dbraw/zinc/36/89/09/549368909.db2.gz ZRDWGWVMSDYGDV-QWRGUYRKSA-N 2 2 329.288 3.254 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234732 549436300 /nfs/dbraw/zinc/43/63/00/549436300.db2.gz KJTMEGPCEQRLMV-HNNXBMFYSA-N 2 2 325.391 3.249 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234732 549436304 /nfs/dbraw/zinc/43/63/04/549436304.db2.gz KJTMEGPCEQRLMV-HNNXBMFYSA-N 2 2 325.391 3.249 20 0 EGADLP CCc1cc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)nc[nH+]1 ZINC000678720230 549547700 /nfs/dbraw/zinc/54/77/00/549547700.db2.gz KFAMLKLHIDWTDW-UHFFFAOYSA-N 2 2 340.471 3.168 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000679771085 549775211 /nfs/dbraw/zinc/77/52/11/549775211.db2.gz GFEDWLTXXGQPBX-SCLBCKFNSA-N 2 2 345.512 3.177 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000679771085 549775213 /nfs/dbraw/zinc/77/52/13/549775213.db2.gz GFEDWLTXXGQPBX-SCLBCKFNSA-N 2 2 345.512 3.177 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000680255501 549839558 /nfs/dbraw/zinc/83/95/58/549839558.db2.gz GLCSRYGJNPMUBC-GOSISDBHSA-N 2 2 338.455 3.141 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000680255501 549839559 /nfs/dbraw/zinc/83/95/59/549839559.db2.gz GLCSRYGJNPMUBC-GOSISDBHSA-N 2 2 338.455 3.141 20 0 EGADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000680835028 549915797 /nfs/dbraw/zinc/91/57/97/549915797.db2.gz UYHXQKSUVLVZCD-YADHBBJMSA-N 2 2 338.495 3.010 20 0 EGADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000680835028 549915798 /nfs/dbraw/zinc/91/57/98/549915798.db2.gz UYHXQKSUVLVZCD-YADHBBJMSA-N 2 2 338.495 3.010 20 0 EGADLP Cc1ccc(CCC[NH+]2CCN(c3nccc(C(C)C)n3)CC2)c[nH+]1 ZINC000684394572 550323965 /nfs/dbraw/zinc/32/39/65/550323965.db2.gz JYNNOHDFWPGMCW-UHFFFAOYSA-N 2 2 339.487 3.058 20 0 EGADLP CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCCCC1 ZINC000740878293 574830943 /nfs/dbraw/zinc/83/09/43/574830943.db2.gz XPTCVXJAKHCHJC-SFHVURJKSA-N 2 2 327.513 3.001 20 0 EGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678758610 576170408 /nfs/dbraw/zinc/17/04/08/576170408.db2.gz YYYZDODAPNUKSL-YLJYHZDGSA-N 2 2 342.483 3.229 20 0 EGADLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678758610 576170412 /nfs/dbraw/zinc/17/04/12/576170412.db2.gz YYYZDODAPNUKSL-YLJYHZDGSA-N 2 2 342.483 3.229 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883965 576633508 /nfs/dbraw/zinc/63/35/08/576633508.db2.gz RAZULMPCMOVQRR-CZUORRHYSA-N 2 2 344.455 3.112 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883965 576633511 /nfs/dbraw/zinc/63/35/11/576633511.db2.gz RAZULMPCMOVQRR-CZUORRHYSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883965 576633514 /nfs/dbraw/zinc/63/35/14/576633514.db2.gz RAZULMPCMOVQRR-CZUORRHYSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883965 576633518 /nfs/dbraw/zinc/63/35/18/576633518.db2.gz RAZULMPCMOVQRR-CZUORRHYSA-N 2 2 344.455 3.112 20 0 EGADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CC[NH+](C4CCC4)CC3)cc12 ZINC000742717511 576794030 /nfs/dbraw/zinc/79/40/30/576794030.db2.gz JYZUETMQPFAOSK-UHFFFAOYSA-N 2 2 347.894 3.037 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000743273554 576805008 /nfs/dbraw/zinc/80/50/08/576805008.db2.gz RXACGXMHIPORCD-VXKWHMMOSA-N 2 2 336.479 3.243 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000743273554 576805009 /nfs/dbraw/zinc/80/50/09/576805009.db2.gz RXACGXMHIPORCD-VXKWHMMOSA-N 2 2 336.479 3.243 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(Br)ccc1F)Cn1cc[nH+]c1 ZINC000062254797 1291984796 /nfs/dbraw/zinc/98/47/96/1291984796.db2.gz SONBZFLGQILLRW-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3)c2)CC1 ZINC000076400280 1292428414 /nfs/dbraw/zinc/42/84/14/1292428414.db2.gz VWKWUUBAXYPOLX-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000116368622 1293204906 /nfs/dbraw/zinc/20/49/06/1293204906.db2.gz CQOSXSSDAFHRHG-INIZCTEOSA-N 2 2 325.456 3.411 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000119705595 1293284321 /nfs/dbraw/zinc/28/43/21/1293284321.db2.gz OWSAPIQEHJVYAG-UHFFFAOYSA-N 2 2 334.423 3.217 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CCOCC1 ZINC000122361786 1293409718 /nfs/dbraw/zinc/40/97/18/1293409718.db2.gz XKDXGTIBKJPQJS-INIZCTEOSA-N 2 2 331.504 3.126 20 0 EGADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(N3CCCC3)nc2)c[nH+]1 ZINC000131548935 1293693980 /nfs/dbraw/zinc/69/39/80/1293693980.db2.gz KVPRGWOGEPMXQF-UHFFFAOYSA-N 2 2 333.439 3.157 20 0 EGADLP c1nc(C2CCCC2)sc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136173345 1293811541 /nfs/dbraw/zinc/81/15/41/1293811541.db2.gz HSPAEMXOCFZEFZ-OAHLLOKOSA-N 2 2 349.544 3.391 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH+](C)C)CCC2)c1 ZINC000158756556 1294213561 /nfs/dbraw/zinc/21/35/61/1294213561.db2.gz STACJZXWXVTWGU-UHFFFAOYSA-N 2 2 340.471 3.478 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000159944767 1294251817 /nfs/dbraw/zinc/25/18/17/1294251817.db2.gz PZUJGFRYJHLFFJ-UHFFFAOYSA-N 2 2 337.471 3.080 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000189988616 1295556373 /nfs/dbraw/zinc/55/63/73/1295556373.db2.gz NUEOBIBLQABNDO-CABCVRRESA-N 2 2 344.459 3.436 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000191279030 1295664053 /nfs/dbraw/zinc/66/40/53/1295664053.db2.gz HJXVIKKIOFCOLD-UHFFFAOYSA-N 2 2 329.370 3.031 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ccc(C(F)(F)F)n1 ZINC000191279030 1295664066 /nfs/dbraw/zinc/66/40/66/1295664066.db2.gz HJXVIKKIOFCOLD-UHFFFAOYSA-N 2 2 329.370 3.031 20 0 EGADLP COc1cc2c(c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c1)O[C@H](C)C2 ZINC000237411797 1296240610 /nfs/dbraw/zinc/24/06/10/1296240610.db2.gz UZGOFKXASSQCBS-OAHLLOKOSA-N 2 2 349.434 3.494 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237502581 1296247347 /nfs/dbraw/zinc/24/73/47/1296247347.db2.gz GGUUUDWEUBFIBW-IEBWSBKVSA-N 2 2 332.488 3.066 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)[C@@H](C)C1 ZINC000249461114 1296444450 /nfs/dbraw/zinc/44/44/50/1296444450.db2.gz QXLIMWPFZDXJLX-JSGCOSHPSA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(Cl)s2)[C@@H](C)C1 ZINC000249461114 1296444464 /nfs/dbraw/zinc/44/44/64/1296444464.db2.gz QXLIMWPFZDXJLX-JSGCOSHPSA-N 2 2 331.913 3.023 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000871877238 1296587782 /nfs/dbraw/zinc/58/77/82/1296587782.db2.gz CGHHHVQZWAUQNV-CQSZACIVSA-N 2 2 337.895 3.438 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261561921 1296592989 /nfs/dbraw/zinc/59/29/89/1296592989.db2.gz GFNLPPQWQWIDJL-FXAWDEMLSA-N 2 2 340.467 3.122 20 0 EGADLP c1ccc(CNc2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc[nH+]2)cc1 ZINC000872771418 1297107041 /nfs/dbraw/zinc/10/70/41/1297107041.db2.gz IIDQWDDKHGTLTM-GOSISDBHSA-N 2 2 337.471 3.057 20 0 EGADLP c1ccc(CNc2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)[nH+]cn2)cc1 ZINC000872771418 1297107047 /nfs/dbraw/zinc/10/70/47/1297107047.db2.gz IIDQWDDKHGTLTM-GOSISDBHSA-N 2 2 337.471 3.057 20 0 EGADLP CCOc1cccc(F)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000873070200 1297257902 /nfs/dbraw/zinc/25/79/02/1297257902.db2.gz QIDQEMNNDUJLOP-UHFFFAOYSA-N 2 2 338.467 3.203 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000378911259 1297528051 /nfs/dbraw/zinc/52/80/51/1297528051.db2.gz IYPPOUGAFOUZDP-GHTZIAJQSA-N 2 2 338.451 3.432 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000378911259 1297528055 /nfs/dbraw/zinc/52/80/55/1297528055.db2.gz IYPPOUGAFOUZDP-GHTZIAJQSA-N 2 2 338.451 3.432 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379636007 1297535270 /nfs/dbraw/zinc/53/52/70/1297535270.db2.gz WSCLVHYOWLPYNI-WMZOPIPTSA-N 2 2 325.456 3.238 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379636007 1297535278 /nfs/dbraw/zinc/53/52/78/1297535278.db2.gz WSCLVHYOWLPYNI-WMZOPIPTSA-N 2 2 325.456 3.238 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000394582467 1297677906 /nfs/dbraw/zinc/67/79/06/1297677906.db2.gz ZUXZMWDNKAIKKX-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000394582467 1297677915 /nfs/dbraw/zinc/67/79/15/1297677915.db2.gz ZUXZMWDNKAIKKX-INIZCTEOSA-N 2 2 332.879 3.075 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385416 1297729642 /nfs/dbraw/zinc/72/96/42/1297729642.db2.gz YDMNFJUINOHBJB-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385416 1297729651 /nfs/dbraw/zinc/72/96/51/1297729651.db2.gz YDMNFJUINOHBJB-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724024047 1298344082 /nfs/dbraw/zinc/34/40/82/1298344082.db2.gz BONDPJXETLPDGM-IAGOWNOFSA-N 2 2 339.524 3.001 20 0 EGADLP CCC[NH+]1CCC([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000743636845 1298412358 /nfs/dbraw/zinc/41/23/58/1298412358.db2.gz HHHPKRCHKNYFLX-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876619586 1298875367 /nfs/dbraw/zinc/87/53/67/1298875367.db2.gz CABBQKMTOPBJCF-CQSZACIVSA-N 2 2 336.480 3.140 20 0 EGADLP CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876619586 1298875374 /nfs/dbraw/zinc/87/53/74/1298875374.db2.gz CABBQKMTOPBJCF-CQSZACIVSA-N 2 2 336.480 3.140 20 0 EGADLP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000876730658 1298941850 /nfs/dbraw/zinc/94/18/50/1298941850.db2.gz JBCCPPTVQYPXQH-IYBDPMFKSA-N 2 2 338.455 3.342 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511901 1300045462 /nfs/dbraw/zinc/04/54/62/1300045462.db2.gz IRJWVFVUGITJQO-PKOBYXMFSA-N 2 2 331.504 3.153 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511901 1300045469 /nfs/dbraw/zinc/04/54/69/1300045469.db2.gz IRJWVFVUGITJQO-PKOBYXMFSA-N 2 2 331.504 3.153 20 0 EGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135181 1300943518 /nfs/dbraw/zinc/94/35/18/1300943518.db2.gz RGFXJPIUCHUDGS-VQTJNVASSA-N 2 2 337.467 3.337 20 0 EGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135181 1300943521 /nfs/dbraw/zinc/94/35/21/1300943521.db2.gz RGFXJPIUCHUDGS-VQTJNVASSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135181 1300943529 /nfs/dbraw/zinc/94/35/29/1300943529.db2.gz RGFXJPIUCHUDGS-VQTJNVASSA-N 2 2 337.467 3.337 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000880135181 1300943535 /nfs/dbraw/zinc/94/35/35/1300943535.db2.gz RGFXJPIUCHUDGS-VQTJNVASSA-N 2 2 337.467 3.337 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858896 1301179767 /nfs/dbraw/zinc/17/97/67/1301179767.db2.gz PSTDCADWQICMRZ-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858896 1301179773 /nfs/dbraw/zinc/17/97/73/1301179773.db2.gz PSTDCADWQICMRZ-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000765976366 1302361944 /nfs/dbraw/zinc/36/19/44/1302361944.db2.gz OAPUIYBQUUYBGG-CJNGLKHVSA-N 2 2 337.533 3.308 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135048 1302398582 /nfs/dbraw/zinc/39/85/82/1302398582.db2.gz JDHWGNKEORDAPJ-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135048 1302398593 /nfs/dbraw/zinc/39/85/93/1302398593.db2.gz JDHWGNKEORDAPJ-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221420 1302858353 /nfs/dbraw/zinc/85/83/53/1302858353.db2.gz RFIQBFNNKJFZFL-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768221420 1302858365 /nfs/dbraw/zinc/85/83/65/1302858365.db2.gz RFIQBFNNKJFZFL-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000769875838 1303187023 /nfs/dbraw/zinc/18/70/23/1303187023.db2.gz XNFXGKUNIYYORE-UWVAXJGDSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000769875838 1303187024 /nfs/dbraw/zinc/18/70/24/1303187024.db2.gz XNFXGKUNIYYORE-UWVAXJGDSA-N 2 2 344.499 3.477 20 0 EGADLP CCC[N@H+](Cc1cnn(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000770509995 1303279157 /nfs/dbraw/zinc/27/91/57/1303279157.db2.gz FTAAGAREZQWOMY-UHFFFAOYSA-N 2 2 326.488 3.297 20 0 EGADLP CCC[N@@H+](Cc1cnn(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000770509995 1303279160 /nfs/dbraw/zinc/27/91/60/1303279160.db2.gz FTAAGAREZQWOMY-UHFFFAOYSA-N 2 2 326.488 3.297 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000887130895 1303685336 /nfs/dbraw/zinc/68/53/36/1303685336.db2.gz MUBYPHJRFFCZJM-MRXNPFEDSA-N 2 2 334.423 3.447 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000887130895 1303685341 /nfs/dbraw/zinc/68/53/41/1303685341.db2.gz MUBYPHJRFFCZJM-MRXNPFEDSA-N 2 2 334.423 3.447 20 0 EGADLP O[C@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C[NH+]1CCCC1 ZINC000775455765 1303967405 /nfs/dbraw/zinc/96/74/05/1303967405.db2.gz WNVAFUZYLJFODZ-NQIIRXRSSA-N 2 2 342.458 3.156 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000888577444 1304203480 /nfs/dbraw/zinc/20/34/80/1304203480.db2.gz GAOYBAPBSQVCCX-IRXDYDNUSA-N 2 2 328.460 3.027 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000888577444 1304203483 /nfs/dbraw/zinc/20/34/83/1304203483.db2.gz GAOYBAPBSQVCCX-IRXDYDNUSA-N 2 2 328.460 3.027 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000779020884 1304519800 /nfs/dbraw/zinc/51/98/00/1304519800.db2.gz VBIUYCUMYJJBTP-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026470 1304520419 /nfs/dbraw/zinc/52/04/19/1304520419.db2.gz WTZOBVRUAOHVOL-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026470 1304520420 /nfs/dbraw/zinc/52/04/20/1304520420.db2.gz WTZOBVRUAOHVOL-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000779078714 1304527174 /nfs/dbraw/zinc/52/71/74/1304527174.db2.gz PCTCZSGSKCJHFN-JKSUJKDBSA-N 2 2 348.491 3.119 20 0 EGADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC000780739317 1304732341 /nfs/dbraw/zinc/73/23/41/1304732341.db2.gz KVZCHZRMHFPPHE-DLBZAZTESA-N 2 2 331.504 3.444 20 0 EGADLP COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000782969219 1305031899 /nfs/dbraw/zinc/03/18/99/1305031899.db2.gz ZRZZOSRDLGQVOF-MRXNPFEDSA-N 2 2 349.434 3.439 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000892565047 1305442751 /nfs/dbraw/zinc/44/27/51/1305442751.db2.gz DHETYYIMHGJSPO-OAHLLOKOSA-N 2 2 344.459 3.086 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247116 1305905903 /nfs/dbraw/zinc/90/59/03/1305905903.db2.gz VRBUQNFVZITDRO-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP Clc1cc(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000893706771 1306041412 /nfs/dbraw/zinc/04/14/12/1306041412.db2.gz KSBONVLXSGWPSC-CYBMUJFWSA-N 2 2 340.652 3.404 20 0 EGADLP CCCCOC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789353428 1306146023 /nfs/dbraw/zinc/14/60/23/1306146023.db2.gz UCVHNVIFQGNBLN-OAHLLOKOSA-N 2 2 333.476 3.131 20 0 EGADLP Clc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903974843 1317759209 /nfs/dbraw/zinc/75/92/09/1317759209.db2.gz UDOOVDLGBYYQOT-CYBMUJFWSA-N 2 2 329.271 3.242 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000792257737 1309151484 /nfs/dbraw/zinc/15/14/84/1309151484.db2.gz BALVFXJTYGRXTO-UHFFFAOYSA-N 2 2 341.455 3.156 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000793530645 1309397078 /nfs/dbraw/zinc/39/70/78/1309397078.db2.gz FERAPPVLNKJOPC-AOIWGVFYSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000793530645 1309397085 /nfs/dbraw/zinc/39/70/85/1309397085.db2.gz FERAPPVLNKJOPC-AOIWGVFYSA-N 2 2 326.488 3.432 20 0 EGADLP CCc1oc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C(=O)OC ZINC000896194931 1309738542 /nfs/dbraw/zinc/73/85/42/1309738542.db2.gz TZEFPMFOJZCNAO-UHFFFAOYSA-N 2 2 343.427 3.100 20 0 EGADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000896320661 1309803983 /nfs/dbraw/zinc/80/39/83/1309803983.db2.gz BJTHAJVYQWSCLO-GOSISDBHSA-N 2 2 338.411 3.021 20 0 EGADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCCCC2)n1 ZINC000796758095 1310081079 /nfs/dbraw/zinc/08/10/79/1310081079.db2.gz BWAXDPUTIVSYFK-OALUTQOASA-N 2 2 346.519 3.264 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCOCC1 ZINC000897451851 1310341281 /nfs/dbraw/zinc/34/12/81/1310341281.db2.gz RENJQSLQVOLNTP-UHFFFAOYSA-N 2 2 336.442 3.446 20 0 EGADLP CO[C@H]([C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000825098857 1320309521 /nfs/dbraw/zinc/30/95/21/1320309521.db2.gz PEVDOZNPJDALAW-FOIQADDNSA-N 2 2 331.504 3.125 20 0 EGADLP C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880263 1317352725 /nfs/dbraw/zinc/35/27/25/1317352725.db2.gz CXPSYFDJZUQVRK-KVSKMBFKSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880263 1317352733 /nfs/dbraw/zinc/35/27/33/1317352733.db2.gz CXPSYFDJZUQVRK-KVSKMBFKSA-N 2 2 338.455 3.066 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)cn1 ZINC000902374980 1317570072 /nfs/dbraw/zinc/57/00/72/1317570072.db2.gz SZZVLUDULILDLS-ROUUACIJSA-N 2 2 330.451 3.016 20 0 EGADLP COc1ccc([C@H]([NH2+]CC2([NH3+])CC2)C(C)C)c(Br)c1 ZINC000902404894 1317573477 /nfs/dbraw/zinc/57/34/77/1317573477.db2.gz GSPRWONVTAPOGB-CQSZACIVSA-N 2 2 327.266 3.236 20 0 EGADLP CNc1ccc(C)cc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000902405911 1317574511 /nfs/dbraw/zinc/57/45/11/1317574511.db2.gz LRIQLBAILNIXNB-SFHVURJKSA-N 2 2 339.487 3.184 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437886 1317578483 /nfs/dbraw/zinc/57/84/83/1317578483.db2.gz KWRRCVVCHATSQO-YFZFPPMRSA-N 2 2 337.467 3.180 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2cccnc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000902513815 1317584653 /nfs/dbraw/zinc/58/46/53/1317584653.db2.gz OOERGNFXMFFIJR-PMACEKPBSA-N 2 2 325.456 3.024 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)cs1 ZINC001020414953 1317687137 /nfs/dbraw/zinc/68/71/37/1317687137.db2.gz UPTZSOBGUGUCED-QAQDUYKDSA-N 2 2 343.496 3.427 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000903421219 1317699179 /nfs/dbraw/zinc/69/91/79/1317699179.db2.gz FUVJLQWETVJBLW-APWZRJJASA-N 2 2 349.482 3.038 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000903421219 1317699184 /nfs/dbraw/zinc/69/91/84/1317699184.db2.gz FUVJLQWETVJBLW-APWZRJJASA-N 2 2 349.482 3.038 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000904451520 1317849660 /nfs/dbraw/zinc/84/96/60/1317849660.db2.gz YQXZXYXDWRUHRP-UHFFFAOYSA-N 2 2 338.274 3.154 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000809735332 1317883100 /nfs/dbraw/zinc/88/31/00/1317883100.db2.gz BDUCEBAFWQCOCX-SFHVURJKSA-N 3 2 344.547 3.041 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000809735332 1317883108 /nfs/dbraw/zinc/88/31/08/1317883108.db2.gz BDUCEBAFWQCOCX-SFHVURJKSA-N 3 2 344.547 3.041 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000809994848 1317932336 /nfs/dbraw/zinc/93/23/36/1317932336.db2.gz HKMSRRXKHNNZQH-KRWDZBQOSA-N 2 2 347.503 3.318 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000959990672 1318301655 /nfs/dbraw/zinc/30/16/55/1318301655.db2.gz ONJUQXPRKCSAGR-WMZOPIPTSA-N 2 2 340.471 3.074 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000959989808 1318302491 /nfs/dbraw/zinc/30/24/91/1318302491.db2.gz HLGVBWUGZOVZNW-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960743714 1318846509 /nfs/dbraw/zinc/84/65/09/1318846509.db2.gz WANTZXZAZOVTFG-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960743714 1318846517 /nfs/dbraw/zinc/84/65/17/1318846517.db2.gz WANTZXZAZOVTFG-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142959 1318909736 /nfs/dbraw/zinc/90/97/36/1318909736.db2.gz ASCAKFRPFZKEQI-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142959 1318909752 /nfs/dbraw/zinc/90/97/52/1318909752.db2.gz ASCAKFRPFZKEQI-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142959 1318909766 /nfs/dbraw/zinc/90/97/66/1318909766.db2.gz ASCAKFRPFZKEQI-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142959 1318909784 /nfs/dbraw/zinc/90/97/84/1318909784.db2.gz ASCAKFRPFZKEQI-DLBZAZTESA-N 2 2 343.298 3.445 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CCc3ccccc3)C2)c(C)[nH+]1 ZINC001022462538 1318951463 /nfs/dbraw/zinc/95/14/63/1318951463.db2.gz SSSWSLPMJJBUDV-KDURUIRLSA-N 2 2 337.467 3.100 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(Cl)nc1 ZINC000817274461 1319309101 /nfs/dbraw/zinc/30/91/01/1319309101.db2.gz LHQPYTVBGMMEES-UHFFFAOYSA-N 2 2 345.874 3.199 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(Cl)nc1 ZINC000817274461 1319309109 /nfs/dbraw/zinc/30/91/09/1319309109.db2.gz LHQPYTVBGMMEES-UHFFFAOYSA-N 2 2 345.874 3.199 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576903 1319401594 /nfs/dbraw/zinc/40/15/94/1319401594.db2.gz ZYXRVQFWTCRBFQ-GXFFZTMASA-N 2 2 344.322 3.288 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817576903 1319401598 /nfs/dbraw/zinc/40/15/98/1319401598.db2.gz ZYXRVQFWTCRBFQ-GXFFZTMASA-N 2 2 344.322 3.288 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817902397 1319457323 /nfs/dbraw/zinc/45/73/23/1319457323.db2.gz PFYVIMXRXMYBQP-PKOBYXMFSA-N 2 2 345.874 3.369 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951584 1319475407 /nfs/dbraw/zinc/47/54/07/1319475407.db2.gz GVOAAHWCYVWTIB-APWZRJJASA-N 3 2 331.504 3.084 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1C[NH+]1CCCCC1 ZINC000817960663 1319478195 /nfs/dbraw/zinc/47/81/95/1319478195.db2.gz OZRUYOYRGLEMAM-BEFAXECRSA-N 3 2 331.504 3.069 20 0 EGADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817966481 1319479377 /nfs/dbraw/zinc/47/93/77/1319479377.db2.gz OQBTYBDPGBRTPQ-IINYFYTJSA-N 2 2 330.245 3.024 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000818195100 1319516502 /nfs/dbraw/zinc/51/65/02/1319516502.db2.gz AVLKISKKUITACI-UHFFFAOYSA-N 2 2 333.407 3.104 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445614 1319542478 /nfs/dbraw/zinc/54/24/78/1319542478.db2.gz WKIRCFCPPYINPV-OAHLLOKOSA-N 2 2 342.487 3.441 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445614 1319542483 /nfs/dbraw/zinc/54/24/83/1319542483.db2.gz WKIRCFCPPYINPV-OAHLLOKOSA-N 2 2 342.487 3.441 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586036 1319708308 /nfs/dbraw/zinc/70/83/08/1319708308.db2.gz SEDDTEUJVARADS-IAGOWNOFSA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023586036 1319708310 /nfs/dbraw/zinc/70/83/10/1319708310.db2.gz SEDDTEUJVARADS-IAGOWNOFSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC1(C)C ZINC000821982098 1320045252 /nfs/dbraw/zinc/04/52/52/1320045252.db2.gz GODSOFKCAVXCDT-OAHLLOKOSA-N 2 2 336.480 3.041 20 0 EGADLP Cn1nc(C2CC2)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000823630132 1320193463 /nfs/dbraw/zinc/19/34/63/1320193463.db2.gz ALKKGGOQTWIJDD-UHFFFAOYSA-N 2 2 338.499 3.094 20 0 EGADLP CC[C@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053853 1321463204 /nfs/dbraw/zinc/46/32/04/1321463204.db2.gz USZDFNSESSLIQF-YOEHRIQHSA-N 2 2 332.879 3.393 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053853 1321463206 /nfs/dbraw/zinc/46/32/06/1321463206.db2.gz USZDFNSESSLIQF-YOEHRIQHSA-N 2 2 332.879 3.393 20 0 EGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000843358362 1321506045 /nfs/dbraw/zinc/50/60/45/1321506045.db2.gz MEDZEQIURGGLHU-UFYCRDLUSA-N 2 2 346.421 3.033 20 0 EGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000843358362 1321506048 /nfs/dbraw/zinc/50/60/48/1321506048.db2.gz MEDZEQIURGGLHU-UFYCRDLUSA-N 2 2 346.421 3.033 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000845926509 1321754459 /nfs/dbraw/zinc/75/44/59/1321754459.db2.gz FCHNEVXOBJZCMC-QGZVFWFLSA-N 2 2 335.423 3.244 20 0 EGADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847486864 1321874574 /nfs/dbraw/zinc/87/45/74/1321874574.db2.gz KAJICYKQSILNEL-INIZCTEOSA-N 2 2 348.878 3.079 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000850543334 1322263199 /nfs/dbraw/zinc/26/31/99/1322263199.db2.gz HYCPBHQZFGEORF-ARFHVFGLSA-N 2 2 346.462 3.064 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000850557254 1322265827 /nfs/dbraw/zinc/26/58/27/1322265827.db2.gz MZFSOXCDGPPCSW-SJLPKXTDSA-N 2 2 332.488 3.216 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnn(CC3CCC3)c2)c[nH+]1 ZINC000921517130 1322336831 /nfs/dbraw/zinc/33/68/31/1322336831.db2.gz JFDYWWNJWLNCST-UHFFFAOYSA-N 2 2 335.455 3.218 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924619684 1323078180 /nfs/dbraw/zinc/07/81/80/1323078180.db2.gz GKMXJVUVXIOTRP-VQTJNVASSA-N 2 2 343.515 3.275 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924619684 1323078184 /nfs/dbraw/zinc/07/81/84/1323078184.db2.gz GKMXJVUVXIOTRP-VQTJNVASSA-N 2 2 343.515 3.275 20 0 EGADLP CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024040470 1323092394 /nfs/dbraw/zinc/09/23/94/1323092394.db2.gz HWTBYIXYVAUHCL-HWOWSKLDSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000924668127 1323104761 /nfs/dbraw/zinc/10/47/61/1323104761.db2.gz OPPJRSRHURECDD-LSDHHAIUSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000924668127 1323104766 /nfs/dbraw/zinc/10/47/66/1323104766.db2.gz OPPJRSRHURECDD-LSDHHAIUSA-N 2 2 328.460 3.461 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)n1 ZINC000924674300 1323105516 /nfs/dbraw/zinc/10/55/16/1323105516.db2.gz ZXXHQXGZCAZAOT-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)n1 ZINC000924674300 1323105520 /nfs/dbraw/zinc/10/55/20/1323105520.db2.gz ZXXHQXGZCAZAOT-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cnn(C)n1 ZINC000924678230 1323108120 /nfs/dbraw/zinc/10/81/20/1323108120.db2.gz AGJQRZUPHOSJJQ-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnn(C)n1 ZINC000924678230 1323108125 /nfs/dbraw/zinc/10/81/25/1323108125.db2.gz AGJQRZUPHOSJJQ-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000924714105 1323128259 /nfs/dbraw/zinc/12/82/59/1323128259.db2.gz HXFSKGZBUTYMKH-SFTDATJTSA-N 2 2 345.506 3.397 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000924714105 1323128264 /nfs/dbraw/zinc/12/82/64/1323128264.db2.gz HXFSKGZBUTYMKH-SFTDATJTSA-N 2 2 345.506 3.397 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Br)n1 ZINC000924713635 1323128618 /nfs/dbraw/zinc/12/86/18/1323128618.db2.gz RTZIOTXPEMXZHT-LBPRGKRZSA-N 2 2 338.293 3.369 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001024185156 1323195891 /nfs/dbraw/zinc/19/58/91/1323195891.db2.gz UWVXWNHGCLDHCN-PKOBYXMFSA-N 2 2 346.519 3.243 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCN3CCCC[C@H]13)C2 ZINC000924890869 1323202387 /nfs/dbraw/zinc/20/23/87/1323202387.db2.gz WVRATANYFBYYAC-YESZJQIVSA-N 2 2 330.520 3.102 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708493 1323229375 /nfs/dbraw/zinc/22/93/75/1323229375.db2.gz CCSUYHFIFRCCMU-GUYCJALGSA-N 2 2 342.405 3.297 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708493 1323229379 /nfs/dbraw/zinc/22/93/79/1323229379.db2.gz CCSUYHFIFRCCMU-GUYCJALGSA-N 2 2 342.405 3.297 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244226 1324041513 /nfs/dbraw/zinc/04/15/13/1324041513.db2.gz UEUIZKMIQFYFIB-ZWKOTPCHSA-N 2 2 346.519 3.182 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001025244226 1324041518 /nfs/dbraw/zinc/04/15/18/1324041518.db2.gz UEUIZKMIQFYFIB-ZWKOTPCHSA-N 2 2 346.519 3.182 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303689 1324137143 /nfs/dbraw/zinc/13/71/43/1324137143.db2.gz JERQZDCPKYIFCV-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303689 1324137145 /nfs/dbraw/zinc/13/71/45/1324137145.db2.gz JERQZDCPKYIFCV-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457707 1324299999 /nfs/dbraw/zinc/29/99/99/1324299999.db2.gz DPURKCMHAHPAGJ-LSDHHAIUSA-N 2 2 328.460 3.193 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457707 1324300004 /nfs/dbraw/zinc/30/00/04/1324300004.db2.gz DPURKCMHAHPAGJ-LSDHHAIUSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C3CCC([NH2+]C(C)C)CC3)ccn12 ZINC000963327047 1325110188 /nfs/dbraw/zinc/11/01/88/1325110188.db2.gz MIWQZNRSUFOPPJ-UHFFFAOYSA-N 2 2 328.460 3.024 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387977 1325187596 /nfs/dbraw/zinc/18/75/96/1325187596.db2.gz XKSNCNFSVYKBAD-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387977 1325187601 /nfs/dbraw/zinc/18/76/01/1325187601.db2.gz XKSNCNFSVYKBAD-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP Fc1cccc(Oc2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)cn2)c1 ZINC000925545938 1325201214 /nfs/dbraw/zinc/20/12/14/1325201214.db2.gz HSQSJAALVOWWOO-YURUWKFZSA-N 2 2 339.414 3.099 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925557900 1325208677 /nfs/dbraw/zinc/20/86/77/1325208677.db2.gz QJXHFBAJPQHBGS-DQLDELGASA-N 2 2 340.467 3.029 20 0 EGADLP Fc1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)ccc1Oc1cccnc1 ZINC000925570677 1325216017 /nfs/dbraw/zinc/21/60/17/1325216017.db2.gz XHCLWMIAEJJLEW-AYDVLDGXSA-N 2 2 339.414 3.099 20 0 EGADLP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925626270 1325236039 /nfs/dbraw/zinc/23/60/39/1325236039.db2.gz PDXQGCUHSILJCX-BBWFWOEESA-N 2 2 337.870 3.099 20 0 EGADLP C[N@H+]1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925626270 1325236048 /nfs/dbraw/zinc/23/60/48/1325236048.db2.gz PDXQGCUHSILJCX-BBWFWOEESA-N 2 2 337.870 3.099 20 0 EGADLP O=C(Nc1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1)c1ccccc1 ZINC000925625435 1325236971 /nfs/dbraw/zinc/23/69/71/1325236971.db2.gz HQYSCZLNINQNIU-UGKANONSSA-N 2 2 347.462 3.025 20 0 EGADLP Brc1ccc2[nH]c(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)cc2c1 ZINC000925638637 1325241686 /nfs/dbraw/zinc/24/16/86/1325241686.db2.gz FOZWFGZOPWZDNN-GDGMELARSA-N 2 2 346.272 3.016 20 0 EGADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925665251 1325254478 /nfs/dbraw/zinc/25/44/78/1325254478.db2.gz KNYREKSOCDJXMN-LEWJYISDSA-N 2 2 338.499 3.189 20 0 EGADLP CN(C(=O)Cn1cc[nH+]c1)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000964463803 1325536914 /nfs/dbraw/zinc/53/69/14/1325536914.db2.gz KBQAHBZKHXZRLC-UHFFFAOYSA-N 2 2 346.519 3.213 20 0 EGADLP CSC1CC([NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)C1 ZINC000926528468 1325587331 /nfs/dbraw/zinc/58/73/31/1325587331.db2.gz QFFKPBLNKOGWPP-UHFFFAOYSA-N 2 2 347.528 3.093 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387964 1325588037 /nfs/dbraw/zinc/58/80/37/1325588037.db2.gz HZLMPHCKUVZLEW-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387964 1325588047 /nfs/dbraw/zinc/58/80/47/1325588047.db2.gz HZLMPHCKUVZLEW-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)C[NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000926882231 1327755282 /nfs/dbraw/zinc/75/52/82/1327755282.db2.gz OGABIHDVRDUQGN-UHFFFAOYSA-N 2 2 331.504 3.140 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597061 1327947537 /nfs/dbraw/zinc/94/75/37/1327947537.db2.gz DLBUNBZDBWOPQA-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001027597061 1327947543 /nfs/dbraw/zinc/94/75/43/1327947543.db2.gz DLBUNBZDBWOPQA-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027969076 1328441698 /nfs/dbraw/zinc/44/16/98/1328441698.db2.gz ASJHEARQTIMXBD-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027969076 1328441702 /nfs/dbraw/zinc/44/17/02/1328441702.db2.gz ASJHEARQTIMXBD-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970782 1328444118 /nfs/dbraw/zinc/44/41/18/1328444118.db2.gz QSGPRTCBKCELTP-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970782 1328444122 /nfs/dbraw/zinc/44/41/22/1328444122.db2.gz QSGPRTCBKCELTP-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865568035 1329714481 /nfs/dbraw/zinc/71/44/81/1329714481.db2.gz XNBONJUBPKQHIZ-GOSISDBHSA-N 2 2 339.487 3.257 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865568035 1329714482 /nfs/dbraw/zinc/71/44/82/1329714482.db2.gz XNBONJUBPKQHIZ-GOSISDBHSA-N 2 2 339.487 3.257 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(NCc3ccccc3)nc[nH+]2)C1 ZINC000865568035 1329714484 /nfs/dbraw/zinc/71/44/84/1329714484.db2.gz XNBONJUBPKQHIZ-GOSISDBHSA-N 2 2 339.487 3.257 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(NCc3ccccc3)nc[nH+]2)C1 ZINC000865568035 1329714485 /nfs/dbraw/zinc/71/44/85/1329714485.db2.gz XNBONJUBPKQHIZ-GOSISDBHSA-N 2 2 339.487 3.257 20 0 EGADLP CCCNc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc[nH+]1 ZINC000865631913 1329722798 /nfs/dbraw/zinc/72/27/98/1329722798.db2.gz POVNMXJHRDUZLH-HNNXBMFYSA-N 2 2 340.475 3.331 20 0 EGADLP CSCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000932588028 1329825185 /nfs/dbraw/zinc/82/51/85/1329825185.db2.gz YEAYRVFCXVPXNF-HXUWFJFHSA-N 2 2 348.556 3.353 20 0 EGADLP CSCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000932588028 1329825186 /nfs/dbraw/zinc/82/51/86/1329825186.db2.gz YEAYRVFCXVPXNF-HXUWFJFHSA-N 2 2 348.556 3.353 20 0 EGADLP CCC[N@H+](CC[C@H]1CCOC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190022 1329953686 /nfs/dbraw/zinc/95/36/86/1329953686.db2.gz UUOKVOXNMSEAEZ-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP CCC[N@@H+](CC[C@H]1CCOC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934190022 1329953688 /nfs/dbraw/zinc/95/36/88/1329953688.db2.gz UUOKVOXNMSEAEZ-IBGZPJMESA-N 2 2 344.499 3.316 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339519 1330098359 /nfs/dbraw/zinc/09/83/59/1330098359.db2.gz LBNGLUUMUSWUBI-BXUZGUMPSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339519 1330098363 /nfs/dbraw/zinc/09/83/63/1330098363.db2.gz LBNGLUUMUSWUBI-BXUZGUMPSA-N 2 2 334.407 3.016 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942180814 1331864379 /nfs/dbraw/zinc/86/43/79/1331864379.db2.gz KPNNZKPFLUKIBE-MAUKXSAKSA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](C)C1 ZINC000942180814 1331864386 /nfs/dbraw/zinc/86/43/86/1331864386.db2.gz KPNNZKPFLUKIBE-MAUKXSAKSA-N 2 2 348.535 3.189 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315408 1333086137 /nfs/dbraw/zinc/08/61/37/1333086137.db2.gz SNAMPJGOINGJBL-MAUKXSAKSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947315408 1333086140 /nfs/dbraw/zinc/08/61/40/1333086140.db2.gz SNAMPJGOINGJBL-MAUKXSAKSA-N 2 2 340.471 3.192 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947437515 1333127101 /nfs/dbraw/zinc/12/71/01/1333127101.db2.gz RSFOKVMMOXJWDX-AEFFLSMTSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC000947437515 1333127104 /nfs/dbraw/zinc/12/71/04/1333127104.db2.gz RSFOKVMMOXJWDX-AEFFLSMTSA-N 2 2 348.535 3.332 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CCCC1 ZINC000947450011 1333132849 /nfs/dbraw/zinc/13/28/49/1333132849.db2.gz MOMFGPRTNWWDNJ-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CCCC1 ZINC000947450011 1333132851 /nfs/dbraw/zinc/13/28/51/1333132851.db2.gz MOMFGPRTNWWDNJ-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CC1CCCC1 ZINC000947539693 1333164039 /nfs/dbraw/zinc/16/40/39/1333164039.db2.gz GGEQFQMKVKMHPA-NVXWUHKLSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CC1CCCC1 ZINC000947539693 1333164040 /nfs/dbraw/zinc/16/40/40/1333164040.db2.gz GGEQFQMKVKMHPA-NVXWUHKLSA-N 2 2 340.471 3.107 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948811976 1333692859 /nfs/dbraw/zinc/69/28/59/1333692859.db2.gz CTHLNUMUIAWZRF-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCC2CCCCC2)CC1 ZINC000948886898 1333719369 /nfs/dbraw/zinc/71/93/69/1333719369.db2.gz SGTIFZOKBHTQFP-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000948886898 1333719370 /nfs/dbraw/zinc/71/93/70/1333719370.db2.gz SGTIFZOKBHTQFP-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886950 1333719451 /nfs/dbraw/zinc/71/94/51/1333719451.db2.gz UOAKXEVRCLLCLD-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886950 1333719454 /nfs/dbraw/zinc/71/94/54/1333719454.db2.gz UOAKXEVRCLLCLD-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1C[NH+](CC=C(C)C)C1 ZINC000950330423 1334043130 /nfs/dbraw/zinc/04/31/30/1334043130.db2.gz FUKYKTFFQMRAKE-GOSISDBHSA-N 2 2 347.547 3.140 20 0 EGADLP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1C[NH+](CC=C(C)C)C1 ZINC000950330423 1334043131 /nfs/dbraw/zinc/04/31/31/1334043131.db2.gz FUKYKTFFQMRAKE-GOSISDBHSA-N 2 2 347.547 3.140 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000969318420 1336199918 /nfs/dbraw/zinc/19/99/18/1336199918.db2.gz WGUHRCILELUSPM-QGZVFWFLSA-N 2 2 338.455 3.029 20 0 EGADLP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005582390 1336375440 /nfs/dbraw/zinc/37/54/40/1336375440.db2.gz BMGZWPQKYKGOBV-AWEZNQCLSA-N 2 2 328.460 3.145 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3c2cccc3Br)CC[C@H]1F ZINC001206186016 1370986120 /nfs/dbraw/zinc/98/61/20/1370986120.db2.gz PSVGTJTXVPRMSB-ZIAGYGMSSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3Br)CC[C@H]1F ZINC001206186016 1370986126 /nfs/dbraw/zinc/98/61/26/1370986126.db2.gz PSVGTJTXVPRMSB-ZIAGYGMSSA-N 2 2 340.240 3.192 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCC4CCCC4)C3)ccn12 ZINC001014447802 1337780371 /nfs/dbraw/zinc/78/03/71/1337780371.db2.gz QBALHIFAIVGJSL-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCC4CCCC4)C3)ccn12 ZINC001014447802 1337780375 /nfs/dbraw/zinc/78/03/75/1337780375.db2.gz QBALHIFAIVGJSL-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP O=C(N[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937188 1337959360 /nfs/dbraw/zinc/95/93/60/1337959360.db2.gz KIYGHTUBDZVOOQ-UKTKYZJWSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937188 1337959363 /nfs/dbraw/zinc/95/93/63/1337959363.db2.gz KIYGHTUBDZVOOQ-UKTKYZJWSA-N 2 2 346.434 3.080 20 0 EGADLP C[N@H+](C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001017221969 1338962058 /nfs/dbraw/zinc/96/20/58/1338962058.db2.gz KHGQEHSWIAIXHB-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001017221969 1338962060 /nfs/dbraw/zinc/96/20/60/1338962060.db2.gz KHGQEHSWIAIXHB-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854914 1341096456 /nfs/dbraw/zinc/09/64/56/1341096456.db2.gz BKPIMPUZXXJHJM-HKUYNNGSSA-N 2 2 344.503 3.115 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854914 1341096457 /nfs/dbraw/zinc/09/64/57/1341096457.db2.gz BKPIMPUZXXJHJM-HKUYNNGSSA-N 2 2 344.503 3.115 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031045798 1341269100 /nfs/dbraw/zinc/26/91/00/1341269100.db2.gz URQWBDKUVJDWOH-VQTJNVASSA-N 2 2 343.515 3.201 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031045798 1341269102 /nfs/dbraw/zinc/26/91/02/1341269102.db2.gz URQWBDKUVJDWOH-VQTJNVASSA-N 2 2 343.515 3.201 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001033616308 1341903892 /nfs/dbraw/zinc/90/38/92/1341903892.db2.gz GKMXNYJOFBDCTO-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001033616308 1341903894 /nfs/dbraw/zinc/90/38/94/1341903894.db2.gz GKMXNYJOFBDCTO-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833509 1342033846 /nfs/dbraw/zinc/03/38/46/1342033846.db2.gz PAOKRMJCCZXUSK-QAPCUYQASA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033833509 1342033848 /nfs/dbraw/zinc/03/38/48/1342033848.db2.gz PAOKRMJCCZXUSK-QAPCUYQASA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@@H+](CCC(C)C)C3)ccn12 ZINC001034206976 1342317295 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2 2 341.499 3.345 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036555204 1343551799 /nfs/dbraw/zinc/55/17/99/1343551799.db2.gz RNGDQDCSOLONNC-LPHOPBHVSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036555204 1343551802 /nfs/dbraw/zinc/55/18/02/1343551802.db2.gz RNGDQDCSOLONNC-LPHOPBHVSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037883257 1344158974 /nfs/dbraw/zinc/15/89/74/1344158974.db2.gz KHDVTHLPEAQXOB-RDJZCZTQSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037936150 1344191039 /nfs/dbraw/zinc/19/10/39/1344191039.db2.gz UHXKBNXMOZKJLT-IEBWSBKVSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037970855 1344211187 /nfs/dbraw/zinc/21/11/87/1344211187.db2.gz UVVTZHGTGJLRHI-ROUUACIJSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208641 1344921597 /nfs/dbraw/zinc/92/15/97/1344921597.db2.gz FUJIJIKRIUEZKJ-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208641 1344921602 /nfs/dbraw/zinc/92/16/02/1344921602.db2.gz FUJIJIKRIUEZKJ-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208641 1344921605 /nfs/dbraw/zinc/92/16/05/1344921605.db2.gz FUJIJIKRIUEZKJ-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208641 1344921610 /nfs/dbraw/zinc/92/16/10/1344921610.db2.gz FUJIJIKRIUEZKJ-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217614 1344935218 /nfs/dbraw/zinc/93/52/18/1344935218.db2.gz VFATYBDSIRNHAJ-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217614 1344935222 /nfs/dbraw/zinc/93/52/22/1344935222.db2.gz VFATYBDSIRNHAJ-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220455 1344937921 /nfs/dbraw/zinc/93/79/21/1344937921.db2.gz ACCSUJVIZAGGEV-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220455 1344937923 /nfs/dbraw/zinc/93/79/23/1344937923.db2.gz ACCSUJVIZAGGEV-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319605 1345429156 /nfs/dbraw/zinc/42/91/56/1345429156.db2.gz IEALOSTVBIYDJF-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319605 1345429158 /nfs/dbraw/zinc/42/91/58/1345429158.db2.gz IEALOSTVBIYDJF-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408078 1345719912 /nfs/dbraw/zinc/71/99/12/1345719912.db2.gz TXKSJFYXXSLGLA-HXUWFJFHSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408078 1345719914 /nfs/dbraw/zinc/71/99/14/1345719914.db2.gz TXKSJFYXXSLGLA-HXUWFJFHSA-N 2 2 340.471 3.147 20 0 EGADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001042923809 1346125397 /nfs/dbraw/zinc/12/53/97/1346125397.db2.gz NBWVAJONKSHKSH-FQEVSTJZSA-N 2 2 345.531 3.036 20 0 EGADLP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001042923809 1346125399 /nfs/dbraw/zinc/12/53/99/1346125399.db2.gz NBWVAJONKSHKSH-FQEVSTJZSA-N 2 2 345.531 3.036 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001044295584 1346294171 /nfs/dbraw/zinc/29/41/71/1346294171.db2.gz XVLLXXLMXJOYOT-QGZVFWFLSA-N 2 2 343.515 3.109 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579056 1346373805 /nfs/dbraw/zinc/37/38/05/1346373805.db2.gz CJQSSDSGTZAXKS-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044757929 1346421693 /nfs/dbraw/zinc/42/16/93/1346421693.db2.gz WTOMZCYUOJHALW-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001045273566 1346545225 /nfs/dbraw/zinc/54/52/25/1346545225.db2.gz OLAVLXAXNHKFHU-WBVHZDCISA-N 2 2 340.471 3.029 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739715 1347078204 /nfs/dbraw/zinc/07/82/04/1347078204.db2.gz UEUVYIZDEYOZNU-OXJNMPFZSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739715 1347078207 /nfs/dbraw/zinc/07/82/07/1347078207.db2.gz UEUVYIZDEYOZNU-OXJNMPFZSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001047863393 1347393241 /nfs/dbraw/zinc/39/32/41/1347393241.db2.gz CUXVOGSSWNOSSX-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001047863393 1347393243 /nfs/dbraw/zinc/39/32/43/1347393243.db2.gz CUXVOGSSWNOSSX-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001048041921 1347448812 /nfs/dbraw/zinc/44/88/12/1347448812.db2.gz ZVBOWDAZFAXTDB-WBVHZDCISA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048297859 1347512410 /nfs/dbraw/zinc/51/24/10/1347512410.db2.gz PTLGNMPBUYMVLT-YOEHRIQHSA-N 2 2 340.471 3.051 20 0 EGADLP CC[N@@H+]1CCc2c(CNC(=O)c3c(C)cc(C)[nH+]c3C)cccc2C1 ZINC001051294882 1348423008 /nfs/dbraw/zinc/42/30/08/1348423008.db2.gz UDEHPKWFDSSKIE-UHFFFAOYSA-N 2 2 337.467 3.315 20 0 EGADLP CC[N@H+]1CCc2c(CNC(=O)c3c(C)cc(C)[nH+]c3C)cccc2C1 ZINC001051294882 1348423010 /nfs/dbraw/zinc/42/30/10/1348423010.db2.gz UDEHPKWFDSSKIE-UHFFFAOYSA-N 2 2 337.467 3.315 20 0 EGADLP 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CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001052553357 1348577248 /nfs/dbraw/zinc/57/72/48/1348577248.db2.gz DAJPXKDEPZTEFY-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700765 1348640799 /nfs/dbraw/zinc/64/07/99/1348640799.db2.gz SLCMFPCECKQQEZ-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700765 1348640802 /nfs/dbraw/zinc/64/08/02/1348640802.db2.gz SLCMFPCECKQQEZ-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP C[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962343 1357440210 /nfs/dbraw/zinc/44/02/10/1357440210.db2.gz FDWHGKIILRYPMS-AUUYWEPGSA-N 2 2 338.455 3.113 20 0 EGADLP C[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962343 1357440214 /nfs/dbraw/zinc/44/02/14/1357440214.db2.gz FDWHGKIILRYPMS-AUUYWEPGSA-N 2 2 338.455 3.113 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144107 1349154200 /nfs/dbraw/zinc/15/42/00/1349154200.db2.gz QHBULBGBSCHPIH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144107 1349154201 /nfs/dbraw/zinc/15/42/01/1349154201.db2.gz QHBULBGBSCHPIH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144107 1349154203 /nfs/dbraw/zinc/15/42/03/1349154203.db2.gz QHBULBGBSCHPIH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144107 1349154204 /nfs/dbraw/zinc/15/42/04/1349154204.db2.gz QHBULBGBSCHPIH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054719958 1349446819 /nfs/dbraw/zinc/44/68/19/1349446819.db2.gz KCNZCCUWZWKCKK-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054719958 1349446822 /nfs/dbraw/zinc/44/68/22/1349446822.db2.gz KCNZCCUWZWKCKK-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C)c1ccccc1 ZINC001074781430 1356237957 /nfs/dbraw/zinc/23/79/57/1356237957.db2.gz JTVJZFMUVAYGAV-WDSOQIARSA-N 2 2 340.471 3.004 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496641 1387313352 /nfs/dbraw/zinc/31/33/52/1387313352.db2.gz OZHVZXMSIGTBGX-PJHKVULZSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183629177 1387325628 /nfs/dbraw/zinc/32/56/28/1387325628.db2.gz KCZYWSRJIAAPHT-GOEBONIOSA-N 2 2 328.460 3.049 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596464 1358623376 /nfs/dbraw/zinc/62/33/76/1358623376.db2.gz BXKNLDCDPRWKPS-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001085596464 1358623379 /nfs/dbraw/zinc/62/33/79/1358623379.db2.gz BXKNLDCDPRWKPS-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1ccc(C)c(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001323472273 1387374042 /nfs/dbraw/zinc/37/40/42/1387374042.db2.gz LJMLWLMTZCKFDJ-UHFFFAOYSA-N 2 2 348.450 3.232 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)c(C)[nH+]1 ZINC001086434665 1359096209 /nfs/dbraw/zinc/09/62/09/1359096209.db2.gz CKLIBXGTUWXNIT-QAQDUYKDSA-N 2 2 343.496 3.367 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001086434838 1359096587 /nfs/dbraw/zinc/09/65/87/1359096587.db2.gz LULWRRDHBGMWOA-IYARVYRRSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935378 1359258939 /nfs/dbraw/zinc/25/89/39/1359258939.db2.gz PQOHMAMFWJJOHE-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001087430735 1359463106 /nfs/dbraw/zinc/46/31/06/1359463106.db2.gz FNJMUJIJBFMZPR-YLJYHZDGSA-N 2 2 348.450 3.171 20 0 EGADLP CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001087430735 1359463109 /nfs/dbraw/zinc/46/31/09/1359463109.db2.gz FNJMUJIJBFMZPR-YLJYHZDGSA-N 2 2 348.450 3.171 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@@H+]1CCC1CC1 ZINC001087571963 1359537555 /nfs/dbraw/zinc/53/75/55/1359537555.db2.gz UXZCVFGVYRLESU-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@H+]1CCC1CC1 ZINC001087571963 1359537561 /nfs/dbraw/zinc/53/75/61/1359537561.db2.gz UXZCVFGVYRLESU-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624461 1359560507 /nfs/dbraw/zinc/56/05/07/1359560507.db2.gz FUBKKDPIRZGASC-QANKJYHBSA-N 2 2 328.460 3.192 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624461 1359560511 /nfs/dbraw/zinc/56/05/11/1359560511.db2.gz FUBKKDPIRZGASC-QANKJYHBSA-N 2 2 328.460 3.192 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCC1CCCCCC1 ZINC001087847614 1359679188 /nfs/dbraw/zinc/67/91/88/1359679188.db2.gz IROLPYWEMGMQQS-RBUKOAKNSA-N 2 2 346.519 3.213 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCC1CCCCCC1 ZINC001087847614 1359679189 /nfs/dbraw/zinc/67/91/89/1359679189.db2.gz IROLPYWEMGMQQS-RBUKOAKNSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H](CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001088391911 1359868811 /nfs/dbraw/zinc/86/88/11/1359868811.db2.gz XQCTYEPSXKXMMJ-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001088405378 1359877545 /nfs/dbraw/zinc/87/75/45/1359877545.db2.gz VWMKRSNMYVUATC-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089640274 1360553934 /nfs/dbraw/zinc/55/39/34/1360553934.db2.gz DLXXFIYSDBHRNP-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001089640274 1360553937 /nfs/dbraw/zinc/55/39/37/1360553937.db2.gz DLXXFIYSDBHRNP-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H]([NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001091098236 1360991713 /nfs/dbraw/zinc/99/17/13/1360991713.db2.gz HNXDEGWHSMNUAO-SYJJWHGVSA-N 2 2 348.450 3.422 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]C/C=C\Cl)[C@H](C)C2)c(C)[nH+]1 ZINC001184852226 1387549570 /nfs/dbraw/zinc/54/95/70/1387549570.db2.gz UOSZTAXIXAMTFK-CTOCQWKHSA-N 2 2 349.906 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@@H](C)C2)c(C)[nH+]1 ZINC001184852847 1387549607 /nfs/dbraw/zinc/54/96/07/1387549607.db2.gz XFPVSYVVSJZBNX-HNAYVOBHSA-N 2 2 343.515 3.495 20 0 EGADLP CC(C)[NH2+][C@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098820325 1363481823 /nfs/dbraw/zinc/48/18/23/1363481823.db2.gz HZMKINJETCXUIB-VQIMIIECSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)(C)CC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445905 1364117433 /nfs/dbraw/zinc/11/74/33/1364117433.db2.gz FTAGGRFMOFJVIM-UHFFFAOYSA-N 2 2 328.460 3.097 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001101579457 1364632115 /nfs/dbraw/zinc/63/21/15/1364632115.db2.gz HYKIDQYICZLFNK-QGZVFWFLSA-N 2 2 348.535 3.489 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001101579344 1364632163 /nfs/dbraw/zinc/63/21/63/1364632163.db2.gz CQKHHHRTIHDLPD-QGZVFWFLSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224380 1365443879 /nfs/dbraw/zinc/44/38/79/1365443879.db2.gz ZAWMMCJPNSRASR-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224380 1365443881 /nfs/dbraw/zinc/44/38/81/1365443881.db2.gz ZAWMMCJPNSRASR-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479549 1365587263 /nfs/dbraw/zinc/58/72/63/1365587263.db2.gz OVIAWIHHODCKST-BQWVTDQKSA-N 2 2 346.519 3.265 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479549 1365587265 /nfs/dbraw/zinc/58/72/65/1365587265.db2.gz OVIAWIHHODCKST-BQWVTDQKSA-N 2 2 346.519 3.265 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185572205 1387753171 /nfs/dbraw/zinc/75/31/71/1387753171.db2.gz IBVUHOOXTDEGIY-LLHDCHNASA-N 2 2 346.519 3.081 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001185595766 1387758834 /nfs/dbraw/zinc/75/88/34/1387758834.db2.gz WOWXHQDGSXUBTK-ZWKOTPCHSA-N 2 2 348.535 3.007 20 0 EGADLP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352254 1365983194 /nfs/dbraw/zinc/98/31/94/1365983194.db2.gz LVNZLIPRAICMOA-ARFHVFGLSA-N 2 2 342.487 3.297 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001104738048 1366151456 /nfs/dbraw/zinc/15/14/56/1366151456.db2.gz CWMVWPMRNRNJIE-KZNAEPCWSA-N 2 2 348.535 3.345 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777265 1366168420 /nfs/dbraw/zinc/16/84/20/1366168420.db2.gz BTEMXDUELLMJSP-JFIYKMOQSA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777265 1366168422 /nfs/dbraw/zinc/16/84/22/1366168422.db2.gz BTEMXDUELLMJSP-JFIYKMOQSA-N 2 2 348.535 3.099 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318599 1366651579 /nfs/dbraw/zinc/65/15/79/1366651579.db2.gz JDVXAGTUFWJBQA-XQJUWPJRSA-N 2 2 340.471 3.217 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654562 1367095479 /nfs/dbraw/zinc/09/54/79/1367095479.db2.gz CKRRQUCNFBVROZ-YLJYHZDGSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001107654562 1367095482 /nfs/dbraw/zinc/09/54/82/1367095482.db2.gz CKRRQUCNFBVROZ-YLJYHZDGSA-N 2 2 346.519 3.070 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001108727046 1367560995 /nfs/dbraw/zinc/56/09/95/1367560995.db2.gz HCOUFRXSKHCVCD-ULQDDVLXSA-N 2 2 340.471 3.107 20 0 EGADLP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108798754 1367602424 /nfs/dbraw/zinc/60/24/24/1367602424.db2.gz HJUZOWPKKJXXQU-ULQDDVLXSA-N 2 2 346.519 3.237 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579370 1367823869 /nfs/dbraw/zinc/82/38/69/1367823869.db2.gz ZTOKXNGIAGRHFG-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579370 1367823872 /nfs/dbraw/zinc/82/38/72/1367823872.db2.gz ZTOKXNGIAGRHFG-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707849 1367940441 /nfs/dbraw/zinc/94/04/41/1367940441.db2.gz XQKQRBIRYDMYOP-OPGNADACSA-N 2 2 344.503 3.004 20 0 EGADLP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110707849 1367940443 /nfs/dbraw/zinc/94/04/43/1367940443.db2.gz XQKQRBIRYDMYOP-OPGNADACSA-N 2 2 344.503 3.004 20 0 EGADLP CC1CCC(C[N@H+](C)[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001194448645 1368264071 /nfs/dbraw/zinc/26/40/71/1368264071.db2.gz JFWHBCXMFQEZCX-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001194448645 1368264074 /nfs/dbraw/zinc/26/40/74/1368264074.db2.gz JFWHBCXMFQEZCX-ACBHZAAOSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1cncc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)n1 ZINC001203170541 1370009065 /nfs/dbraw/zinc/00/90/65/1370009065.db2.gz LCTAVLHIGJBNAV-UHFFFAOYSA-N 2 2 345.406 3.292 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203661980 1370207545 /nfs/dbraw/zinc/20/75/45/1370207545.db2.gz XFCGJWVSDULPKT-IAGOWNOFSA-N 2 2 346.519 3.104 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813396 1370274452 /nfs/dbraw/zinc/27/44/52/1370274452.db2.gz CLXIDYPUIKNIIF-IAGOWNOFSA-N 2 2 346.519 3.117 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001203961566 1370331842 /nfs/dbraw/zinc/33/18/42/1370331842.db2.gz GKAUTAHFNZRPAG-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](Cc2ccncc2)CC3)cs1 ZINC001204079594 1370370653 /nfs/dbraw/zinc/37/06/53/1370370653.db2.gz TUGXXIHJBPMLOG-UHFFFAOYSA-N 2 2 342.512 3.477 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](Cc2ccncc2)CC3)cs1 ZINC001204079594 1370370660 /nfs/dbraw/zinc/37/06/60/1370370660.db2.gz TUGXXIHJBPMLOG-UHFFFAOYSA-N 2 2 342.512 3.477 20 0 EGADLP c1ccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccnc2c1 ZINC001204083826 1370371460 /nfs/dbraw/zinc/37/14/60/1370371460.db2.gz YZLWUMHQUNYKII-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP Fc1cccc(F)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204201907 1370406386 /nfs/dbraw/zinc/40/63/86/1370406386.db2.gz JFILQOAUJMEMQR-SJORKVTESA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cccc(F)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001204201907 1370406389 /nfs/dbraw/zinc/40/63/89/1370406389.db2.gz JFILQOAUJMEMQR-SJORKVTESA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cccc(F)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001204201907 1370406392 /nfs/dbraw/zinc/40/63/92/1370406392.db2.gz JFILQOAUJMEMQR-SJORKVTESA-N 2 2 343.421 3.314 20 0 EGADLP Cc1[nH+]c2ccccn2c1Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001204503510 1370495389 /nfs/dbraw/zinc/49/53/89/1370495389.db2.gz QYUBUFBDQMENTI-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001115538448 1370535512 /nfs/dbraw/zinc/53/55/12/1370535512.db2.gz IVGRWASBLWQQHT-UHFFFAOYSA-N 2 2 342.487 3.465 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204808147 1370579973 /nfs/dbraw/zinc/57/99/73/1370579973.db2.gz AEQUQRPMTQFDCT-OAQYLSRUSA-N 2 2 338.451 3.453 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@](C)([NH3+])C3)cc2)cc1 ZINC001204808147 1370579979 /nfs/dbraw/zinc/57/99/79/1370579979.db2.gz AEQUQRPMTQFDCT-OAQYLSRUSA-N 2 2 338.451 3.453 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115591869 1370593324 /nfs/dbraw/zinc/59/33/24/1370593324.db2.gz JILDNSIKHVYUEN-MRXNPFEDSA-N 2 2 348.535 3.381 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001204932557 1370609083 /nfs/dbraw/zinc/60/90/83/1370609083.db2.gz KPTBFTUTNHAMLW-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001204932557 1370609088 /nfs/dbraw/zinc/60/90/88/1370609088.db2.gz KPTBFTUTNHAMLW-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2c(F)c(Cl)ccc2Br)CC1 ZINC001205040280 1370635695 /nfs/dbraw/zinc/63/56/95/1370635695.db2.gz DGQRWWITYWYFIR-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001205075428 1370643060 /nfs/dbraw/zinc/64/30/60/1370643060.db2.gz JNTZXUDDMPIWHT-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001205075428 1370643063 /nfs/dbraw/zinc/64/30/63/1370643063.db2.gz JNTZXUDDMPIWHT-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205083695 1370645187 /nfs/dbraw/zinc/64/51/87/1370645187.db2.gz YGHCMNZJGKIXCM-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001205083695 1370645190 /nfs/dbraw/zinc/64/51/90/1370645190.db2.gz YGHCMNZJGKIXCM-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205273467 1370702821 /nfs/dbraw/zinc/70/28/21/1370702821.db2.gz LOZDQWGEEVSIFE-OAHLLOKOSA-N 2 2 328.913 3.100 20 0 EGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205273467 1370702826 /nfs/dbraw/zinc/70/28/26/1370702826.db2.gz LOZDQWGEEVSIFE-OAHLLOKOSA-N 2 2 328.913 3.100 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725070 1370705494 /nfs/dbraw/zinc/70/54/94/1370705494.db2.gz ISISXLJAMNKFFA-JKSUJKDBSA-N 2 2 346.519 3.284 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318507 1370720000 /nfs/dbraw/zinc/72/00/00/1370720000.db2.gz VJAPDRZAGLZYSM-ZYHUDNBSSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205318507 1370720005 /nfs/dbraw/zinc/72/00/05/1370720005.db2.gz VJAPDRZAGLZYSM-ZYHUDNBSSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318834 1370721208 /nfs/dbraw/zinc/72/12/08/1370721208.db2.gz WXGZFVKSPOIHIJ-ZYHUDNBSSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1F ZINC001205318834 1370721209 /nfs/dbraw/zinc/72/12/09/1370721209.db2.gz WXGZFVKSPOIHIJ-ZYHUDNBSSA-N 2 2 329.257 3.313 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC(C[NH2+]CCC2CC2)CC1)n1cc[nH+]c1 ZINC001205500048 1370773528 /nfs/dbraw/zinc/77/35/28/1370773528.db2.gz CQSVULUBJWJQQQ-IBGZPJMESA-N 2 2 346.519 3.099 20 0 EGADLP CC[C@H](C)C[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521916 1370779994 /nfs/dbraw/zinc/77/99/94/1370779994.db2.gz JHXLCMZWMCAVJI-AWEZNQCLSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651913 1370828614 /nfs/dbraw/zinc/82/86/14/1370828614.db2.gz LQWVJQMBTKWTAG-GDBMZVCRSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651913 1370828618 /nfs/dbraw/zinc/82/86/18/1370828618.db2.gz LQWVJQMBTKWTAG-GDBMZVCRSA-N 3 2 332.879 3.333 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205727417 1370853627 /nfs/dbraw/zinc/85/36/27/1370853627.db2.gz DOYZSZQKWAJKFN-CQSZACIVSA-N 2 2 331.504 3.495 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)[nH+]1 ZINC001116346491 1370890751 /nfs/dbraw/zinc/89/07/51/1370890751.db2.gz VFSANLXLGAZNMR-FGTMMUONSA-N 2 2 344.503 3.056 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)[nH+]1 ZINC001116346491 1370890755 /nfs/dbraw/zinc/89/07/55/1370890755.db2.gz VFSANLXLGAZNMR-FGTMMUONSA-N 2 2 344.503 3.056 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205855604 1370894069 /nfs/dbraw/zinc/89/40/69/1370894069.db2.gz OESHKIQKQGSPDD-GDBMZVCRSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])c2c1 ZINC001205855604 1370894075 /nfs/dbraw/zinc/89/40/75/1370894075.db2.gz OESHKIQKQGSPDD-GDBMZVCRSA-N 2 2 328.456 3.416 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@H]1F ZINC001206173136 1370980293 /nfs/dbraw/zinc/98/02/93/1370980293.db2.gz FIFSMOCDENRNEQ-OLZOCXBDSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@H]1F ZINC001206173136 1370980294 /nfs/dbraw/zinc/98/02/94/1370980294.db2.gz FIFSMOCDENRNEQ-OLZOCXBDSA-N 2 2 340.240 3.192 20 0 EGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3cc(Br)ccc3n2)C1 ZINC001206276098 1371010143 /nfs/dbraw/zinc/01/01/43/1371010143.db2.gz BUGJIHYJLWCINU-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3cc(Br)ccc3n2)C1 ZINC001206276098 1371010146 /nfs/dbraw/zinc/01/01/46/1371010146.db2.gz BUGJIHYJLWCINU-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1[nH+]c(C)cc2[nH]ccc21 ZINC001206490097 1371071013 /nfs/dbraw/zinc/07/10/13/1371071013.db2.gz KPJOSTGENKDHBX-UHFFFAOYSA-N 2 2 337.423 3.379 20 0 EGADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CCc2ccc(Cl)cc21 ZINC001206530189 1371085255 /nfs/dbraw/zinc/08/52/55/1371085255.db2.gz OSCHKLLWIWKSHD-ZDUSSCGKSA-N 2 2 332.879 3.301 20 0 EGADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CCc2ccc(Cl)cc21 ZINC001206530189 1371085262 /nfs/dbraw/zinc/08/52/62/1371085262.db2.gz OSCHKLLWIWKSHD-ZDUSSCGKSA-N 2 2 332.879 3.301 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622782 1371111854 /nfs/dbraw/zinc/11/18/54/1371111854.db2.gz GVGQJMWLPUBVBV-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622782 1371111856 /nfs/dbraw/zinc/11/18/56/1371111856.db2.gz GVGQJMWLPUBVBV-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001206694782 1371136490 /nfs/dbraw/zinc/13/64/90/1371136490.db2.gz MNVGABINJYITDI-OAHLLOKOSA-N 2 2 327.513 3.001 20 0 EGADLP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC001206694782 1371136492 /nfs/dbraw/zinc/13/64/92/1371136492.db2.gz MNVGABINJYITDI-OAHLLOKOSA-N 2 2 327.513 3.001 20 0 EGADLP Cc1ncsc1C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001206862090 1371193287 /nfs/dbraw/zinc/19/32/87/1371193287.db2.gz DVVGDRWZBSRYKK-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP Fc1ccccc1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001207494687 1371413638 /nfs/dbraw/zinc/41/36/38/1371413638.db2.gz BPTAMIQYGNNDRW-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001207494687 1371413645 /nfs/dbraw/zinc/41/36/45/1371413645.db2.gz BPTAMIQYGNNDRW-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001207494687 1371413657 /nfs/dbraw/zinc/41/36/57/1371413657.db2.gz BPTAMIQYGNNDRW-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001207494687 1371413671 /nfs/dbraw/zinc/41/36/71/1371413671.db2.gz BPTAMIQYGNNDRW-KDURUIRLSA-N 2 2 339.458 3.217 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001326236949 1388131723 /nfs/dbraw/zinc/13/17/23/1388131723.db2.gz SQMUYZQLDMCSOF-HNNXBMFYSA-N 2 2 336.329 3.060 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001326236949 1388131724 /nfs/dbraw/zinc/13/17/24/1388131724.db2.gz SQMUYZQLDMCSOF-HNNXBMFYSA-N 2 2 336.329 3.060 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001207611908 1371450986 /nfs/dbraw/zinc/45/09/86/1371450986.db2.gz SBNXOKLWNIKNCX-NHCUHLMSSA-N 2 2 335.495 3.468 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658960 1371466841 /nfs/dbraw/zinc/46/68/41/1371466841.db2.gz ATJMXOHJTHYYEJ-GUDVDZBRSA-N 2 2 348.535 3.487 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207658960 1371466842 /nfs/dbraw/zinc/46/68/42/1371466842.db2.gz ATJMXOHJTHYYEJ-GUDVDZBRSA-N 2 2 348.535 3.487 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726766 1371487047 /nfs/dbraw/zinc/48/70/47/1371487047.db2.gz ALEGHXAOCNATPV-CVEARBPZSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726766 1371487050 /nfs/dbraw/zinc/48/70/50/1371487050.db2.gz ALEGHXAOCNATPV-CVEARBPZSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726766 1371487053 /nfs/dbraw/zinc/48/70/53/1371487053.db2.gz ALEGHXAOCNATPV-CVEARBPZSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726766 1371487054 /nfs/dbraw/zinc/48/70/54/1371487054.db2.gz ALEGHXAOCNATPV-CVEARBPZSA-N 2 2 337.558 3.183 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207904504 1371533609 /nfs/dbraw/zinc/53/36/09/1371533609.db2.gz GDIWNMQLRHWQRM-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](C[C@@H](C)c1ccccc1)C2 ZINC001207904504 1371533611 /nfs/dbraw/zinc/53/36/11/1371533611.db2.gz GDIWNMQLRHWQRM-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207904504 1371533615 /nfs/dbraw/zinc/53/36/15/1371533615.db2.gz GDIWNMQLRHWQRM-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](C[C@@H](C)c1ccccc1)C2 ZINC001207904504 1371533621 /nfs/dbraw/zinc/53/36/21/1371533621.db2.gz GDIWNMQLRHWQRM-QGZVFWFLSA-N 2 2 341.503 3.128 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([NH2+]CCC(C)(C)C)C3)ccn12 ZINC001208048258 1371579748 /nfs/dbraw/zinc/57/97/48/1371579748.db2.gz FOTZBDKIKFLBST-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([NH2+]CCCC(C)C)C3)ccn12 ZINC001208048653 1371580350 /nfs/dbraw/zinc/58/03/50/1371580350.db2.gz JDSTUMSWCVWURF-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386621 1371746581 /nfs/dbraw/zinc/74/65/81/1371746581.db2.gz GNUASOFFCAFRFW-ZWKOTPCHSA-N 2 2 334.508 3.241 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420485 1371761583 /nfs/dbraw/zinc/76/15/83/1371761583.db2.gz MKWUPHFEKWXKOT-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP COCCCCC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648207 1371851304 /nfs/dbraw/zinc/85/13/04/1371851304.db2.gz GOCOGNYJDSIEEO-SFHVURJKSA-N 2 2 347.503 3.018 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208764870 1371887605 /nfs/dbraw/zinc/88/76/05/1371887605.db2.gz DWVWHQMCIBKTDP-PMACEKPBSA-N 2 2 339.458 3.217 20 0 EGADLP C[C@H](C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1)C(F)(F)F ZINC001208890004 1371933710 /nfs/dbraw/zinc/93/37/10/1371933710.db2.gz DNZXAFPCYHIFRU-CQSZACIVSA-N 2 2 344.425 3.049 20 0 EGADLP C[C@H](C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1)C(F)(F)F ZINC001208890004 1371933713 /nfs/dbraw/zinc/93/37/13/1371933713.db2.gz DNZXAFPCYHIFRU-CQSZACIVSA-N 2 2 344.425 3.049 20 0 EGADLP Cc1nc2c(s1)C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947426 1371958293 /nfs/dbraw/zinc/95/82/93/1371958293.db2.gz BWWWCSPJTTYYCY-QGZVFWFLSA-N 2 2 327.497 3.332 20 0 EGADLP Cc1nc2c(s1)C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947426 1371958295 /nfs/dbraw/zinc/95/82/95/1371958295.db2.gz BWWWCSPJTTYYCY-QGZVFWFLSA-N 2 2 327.497 3.332 20 0 EGADLP Cc1nc2c(s1)C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208947426 1371958298 /nfs/dbraw/zinc/95/82/98/1371958298.db2.gz BWWWCSPJTTYYCY-QGZVFWFLSA-N 2 2 327.497 3.332 20 0 EGADLP Cc1nc2c(s1)C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208947426 1371958301 /nfs/dbraw/zinc/95/83/01/1371958301.db2.gz BWWWCSPJTTYYCY-QGZVFWFLSA-N 2 2 327.497 3.332 20 0 EGADLP COCC[N@H+](CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209259406 1372053014 /nfs/dbraw/zinc/05/30/14/1372053014.db2.gz VKJCFRDHBZURKR-UHFFFAOYSA-N 2 2 334.504 3.026 20 0 EGADLP COCC[N@@H+](CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001209259406 1372053017 /nfs/dbraw/zinc/05/30/17/1372053017.db2.gz VKJCFRDHBZURKR-UHFFFAOYSA-N 2 2 334.504 3.026 20 0 EGADLP CCOc1cccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC001209452266 1372110218 /nfs/dbraw/zinc/11/02/18/1372110218.db2.gz JCOMGYTXECDECA-UHFFFAOYSA-N 2 2 331.504 3.083 20 0 EGADLP CC[C@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475589 1372116727 /nfs/dbraw/zinc/11/67/27/1372116727.db2.gz UWEUNNHSDLQUBM-CVEARBPZSA-N 2 2 349.475 3.146 20 0 EGADLP CC[C@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475589 1372116730 /nfs/dbraw/zinc/11/67/30/1372116730.db2.gz UWEUNNHSDLQUBM-CVEARBPZSA-N 2 2 349.475 3.146 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)c2c1 ZINC001209497419 1372121323 /nfs/dbraw/zinc/12/13/23/1372121323.db2.gz RHWWRIVQAYLENG-UHFFFAOYSA-N 2 2 335.455 3.205 20 0 EGADLP Cc1[nH+]c2ccc(Br)cn2c1Nc1c[nH+]c(N)cc1C ZINC001209966440 1372243386 /nfs/dbraw/zinc/24/33/86/1372243386.db2.gz ZMMNKJOHINALDW-UHFFFAOYSA-N 2 2 332.205 3.434 20 0 EGADLP COc1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC001210227778 1372299479 /nfs/dbraw/zinc/29/94/79/1372299479.db2.gz QLHZSNARHCFNQR-HXUWFJFHSA-N 2 2 348.450 3.027 20 0 EGADLP C[NH+](C)CCOc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001212804373 1372776318 /nfs/dbraw/zinc/77/63/18/1372776318.db2.gz ZPNROZWLOHLACT-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP C[NH2+]Cc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1F ZINC001216222544 1373284721 /nfs/dbraw/zinc/28/47/21/1373284721.db2.gz JLXJLUWVNYJOPX-UHFFFAOYSA-N 2 2 329.419 3.121 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001130006504 1373445199 /nfs/dbraw/zinc/44/51/99/1373445199.db2.gz JQIDNWSNHDDLSS-CRAIPNDOSA-N 2 2 346.450 3.076 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2)c[nH+]1 ZINC001130167411 1373468436 /nfs/dbraw/zinc/46/84/36/1373468436.db2.gz VJYZHRQVNBBHJK-AWEZNQCLSA-N 2 2 348.878 3.047 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(F)cc1 ZINC001130268977 1373481873 /nfs/dbraw/zinc/48/18/73/1373481873.db2.gz SBWKLGHORNYATQ-MRXNPFEDSA-N 2 2 340.402 3.173 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCC(=O)OC(C)(C)C ZINC001326654881 1388268315 /nfs/dbraw/zinc/26/83/15/1388268315.db2.gz VWELWQDBGVKASS-UHFFFAOYSA-N 2 2 344.415 3.026 20 0 EGADLP Cc1ccc(N2CCC[C@@H](Oc3ccc4c(c3C)CC[NH2+]C4)C2)[nH+]c1 ZINC001218391117 1373605260 /nfs/dbraw/zinc/60/52/60/1373605260.db2.gz RJFNEASWBVMTED-GOSISDBHSA-N 2 2 337.467 3.392 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001218811280 1373656763 /nfs/dbraw/zinc/65/67/63/1373656763.db2.gz FCYFGHJJNXNCMQ-FXAWDEMLSA-N 2 2 346.434 3.347 20 0 EGADLP CC(C)C[C@@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001220031470 1373746983 /nfs/dbraw/zinc/74/69/83/1373746983.db2.gz WCKZRMRUQNUOHP-RBUKOAKNSA-N 2 2 325.456 3.162 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222094180 1373816244 /nfs/dbraw/zinc/81/62/44/1373816244.db2.gz ZFITXIRAHLUDIM-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222094180 1373816253 /nfs/dbraw/zinc/81/62/53/1373816253.db2.gz ZFITXIRAHLUDIM-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)C1 ZINC001326835198 1388325891 /nfs/dbraw/zinc/32/58/91/1388325891.db2.gz SAHDQWWGNSBOHZ-SJORKVTESA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)C1 ZINC001326835198 1388325894 /nfs/dbraw/zinc/32/58/94/1388325894.db2.gz SAHDQWWGNSBOHZ-SJORKVTESA-N 2 2 346.519 3.187 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131975726 1375077867 /nfs/dbraw/zinc/07/78/67/1375077867.db2.gz BZLMTEZNJLAPGM-KRWDZBQOSA-N 2 2 348.450 3.261 20 0 EGADLP CCCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041403 1375112761 /nfs/dbraw/zinc/11/27/61/1375112761.db2.gz DKZCLVZGBFPDDT-CRAIPNDOSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041403 1375112765 /nfs/dbraw/zinc/11/27/65/1375112765.db2.gz DKZCLVZGBFPDDT-CRAIPNDOSA-N 2 2 342.487 3.416 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091188 1375140927 /nfs/dbraw/zinc/14/09/27/1375140927.db2.gz TZMJALJWODIITM-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132091188 1375140930 /nfs/dbraw/zinc/14/09/30/1375140930.db2.gz TZMJALJWODIITM-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091188 1375140931 /nfs/dbraw/zinc/14/09/31/1375140931.db2.gz TZMJALJWODIITM-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CC1CCCCCC1 ZINC001132091188 1375140933 /nfs/dbraw/zinc/14/09/33/1375140933.db2.gz TZMJALJWODIITM-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001225969184 1375180810 /nfs/dbraw/zinc/18/08/10/1375180810.db2.gz GILGMCMTSUFPFD-KBAYOESNSA-N 2 2 340.471 3.121 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546331 1375453511 /nfs/dbraw/zinc/45/35/11/1375453511.db2.gz KFPYCJXAANJQKE-QZTJIDSGSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546331 1375453514 /nfs/dbraw/zinc/45/35/14/1375453514.db2.gz KFPYCJXAANJQKE-QZTJIDSGSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001132923199 1375646277 /nfs/dbraw/zinc/64/62/77/1375646277.db2.gz DRLFXDOVWQDHTQ-FUHWJXTLSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001132991918 1375698316 /nfs/dbraw/zinc/69/83/16/1375698316.db2.gz BCTZSCFGHVCPAV-LIRRHRJNSA-N 2 2 343.515 3.495 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001132991917 1375698625 /nfs/dbraw/zinc/69/86/25/1375698625.db2.gz BCTZSCFGHVCPAV-KUHUBIRLSA-N 2 2 343.515 3.495 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001133001635 1375703609 /nfs/dbraw/zinc/70/36/09/1375703609.db2.gz DIYSPDVFTBEFDX-KBXCAEBGSA-N 2 2 331.504 3.351 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021166 1375717066 /nfs/dbraw/zinc/71/70/66/1375717066.db2.gz JTKYSAKFWIGYQC-CQQBRXBZSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001229046103 1375750620 /nfs/dbraw/zinc/75/06/20/1375750620.db2.gz JFZLLQSMODQSQO-KFKAGJAMSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001229046103 1375750624 /nfs/dbraw/zinc/75/06/24/1375750624.db2.gz JFZLLQSMODQSQO-KFKAGJAMSA-N 2 2 346.519 3.186 20 0 EGADLP CCC/C=C/CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229384180 1375824888 /nfs/dbraw/zinc/82/48/88/1375824888.db2.gz BHCQKGUUUGLLEH-RTRPANQVSA-N 2 2 332.492 3.161 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001229559182 1375854394 /nfs/dbraw/zinc/85/43/94/1375854394.db2.gz PZCIEHAUKVWVTF-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001229559182 1375854398 /nfs/dbraw/zinc/85/43/98/1375854398.db2.gz PZCIEHAUKVWVTF-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001133405691 1375990846 /nfs/dbraw/zinc/99/08/46/1375990846.db2.gz LNPPDOITKHRXCD-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001231658104 1376297599 /nfs/dbraw/zinc/29/75/99/1376297599.db2.gz UGQXDUZRUHLVFX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001231658104 1376297602 /nfs/dbraw/zinc/29/76/02/1376297602.db2.gz UGQXDUZRUHLVFX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001231658104 1376297605 /nfs/dbraw/zinc/29/76/05/1376297605.db2.gz UGQXDUZRUHLVFX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001231658104 1376297609 /nfs/dbraw/zinc/29/76/09/1376297609.db2.gz UGQXDUZRUHLVFX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1OCCO2 ZINC001231886532 1376336355 /nfs/dbraw/zinc/33/63/55/1376336355.db2.gz QLYRBBSZGGBSFR-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc2c1OCCO2 ZINC001231886532 1376336358 /nfs/dbraw/zinc/33/63/58/1376336358.db2.gz QLYRBBSZGGBSFR-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5c[nH]nc5c4)C[C@H]3C2)c1 ZINC001231907433 1376343903 /nfs/dbraw/zinc/34/39/03/1376343903.db2.gz MMGUVMDRIAVRJC-IRXDYDNUSA-N 2 2 338.480 3.188 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227662 1376423829 /nfs/dbraw/zinc/42/38/29/1376423829.db2.gz JEICJIYDMSYINF-JKSUJKDBSA-N 2 2 348.535 3.432 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5ncoc5c4)C[C@@H]3C2)c1 ZINC001232941256 1376542161 /nfs/dbraw/zinc/54/21/61/1376542161.db2.gz VRGYDSYLYVYQMV-HZPDHXFCSA-N 2 2 339.464 3.453 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001134499224 1376570718 /nfs/dbraw/zinc/57/07/18/1376570718.db2.gz YRPXYZCYCXLSOS-SJORKVTESA-N 2 2 342.487 3.425 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)c1 ZINC001134544927 1376585080 /nfs/dbraw/zinc/58/50/80/1376585080.db2.gz KDAFPMJYDQQQMY-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)c1 ZINC001134544927 1376585084 /nfs/dbraw/zinc/58/50/84/1376585084.db2.gz KDAFPMJYDQQQMY-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134733419 1376684706 /nfs/dbraw/zinc/68/47/06/1376684706.db2.gz ZIGYUEMXSBGGDD-JKSUJKDBSA-N 2 2 335.492 3.086 20 0 EGADLP COc1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1OCc1ccccc1 ZINC001235024500 1376830110 /nfs/dbraw/zinc/83/01/10/1376830110.db2.gz MSVNPLRGSYBJQE-UHFFFAOYSA-N 2 2 338.451 3.070 20 0 EGADLP COc1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1OCc1ccccc1 ZINC001235024500 1376830114 /nfs/dbraw/zinc/83/01/14/1376830114.db2.gz MSVNPLRGSYBJQE-UHFFFAOYSA-N 2 2 338.451 3.070 20 0 EGADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115809 1376848292 /nfs/dbraw/zinc/84/82/92/1376848292.db2.gz RZOBAUSVMMLBRV-HKUYNNGSSA-N 2 2 326.525 3.062 20 0 EGADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115809 1376848295 /nfs/dbraw/zinc/84/82/95/1376848295.db2.gz RZOBAUSVMMLBRV-HKUYNNGSSA-N 2 2 326.525 3.062 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2cccnc2)c(C)[nH+]1 ZINC001135036666 1376861249 /nfs/dbraw/zinc/86/12/49/1376861249.db2.gz BJMYXVBCVVCGQR-ZBFHGGJFSA-N 2 2 340.471 3.089 20 0 EGADLP Clc1ncnc(Cl)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235242774 1376862178 /nfs/dbraw/zinc/86/21/78/1376862178.db2.gz UWXCOPZFBKCTCK-CYBMUJFWSA-N 2 2 329.275 3.138 20 0 EGADLP Fc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(F)c1Br ZINC001235338130 1376868702 /nfs/dbraw/zinc/86/87/02/1376868702.db2.gz CATFPZRYYFCUHY-UHFFFAOYSA-N 2 2 345.231 3.159 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632063 1376878321 /nfs/dbraw/zinc/87/83/21/1376878321.db2.gz DYUWRIGFPOLXGR-ROUUACIJSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632063 1376878325 /nfs/dbraw/zinc/87/83/25/1376878325.db2.gz DYUWRIGFPOLXGR-ROUUACIJSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[NH2+]1 ZINC001235882426 1376909570 /nfs/dbraw/zinc/90/95/70/1376909570.db2.gz RDNXWWAWSNIPHY-INIZCTEOSA-N 2 2 332.879 3.346 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135135883 1376925615 /nfs/dbraw/zinc/92/56/15/1376925615.db2.gz CQGHURAEOAGBIM-IRXDYDNUSA-N 2 2 334.508 3.117 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CC1CCC2(CC2)CC1 ZINC001135136512 1376925683 /nfs/dbraw/zinc/92/56/83/1376925683.db2.gz JCDUFOWCZXWKJX-SJORKVTESA-N 2 2 346.519 3.117 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2C)CC1 ZINC001237709831 1376984104 /nfs/dbraw/zinc/98/41/04/1376984104.db2.gz JSYBFFFCCWPSKC-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2C)CC1 ZINC001237709831 1376984108 /nfs/dbraw/zinc/98/41/08/1376984108.db2.gz JSYBFFFCCWPSKC-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1Cc2ccc(Br)cc2C1)c1ccccc1 ZINC001246292761 1377051263 /nfs/dbraw/zinc/05/12/63/1377051263.db2.gz QHHYHECFCWPPJG-IAGOWNOFSA-N 2 2 331.257 3.206 20 0 EGADLP Fc1ccc(C[N@@H+]([C@@H]2CCCC3(C2)OCCO3)[C@H]2CCC[NH2+]C2)cc1 ZINC001246939483 1377055717 /nfs/dbraw/zinc/05/57/17/1377055717.db2.gz VROPSRIXUUWUNX-MOPGFXCFSA-N 2 2 348.462 3.065 20 0 EGADLP Fc1ccc(C[N@H+]([C@@H]2CCCC3(C2)OCCO3)[C@H]2CCC[NH2+]C2)cc1 ZINC001246939483 1377055724 /nfs/dbraw/zinc/05/57/24/1377055724.db2.gz VROPSRIXUUWUNX-MOPGFXCFSA-N 2 2 348.462 3.065 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258638354 1377118464 /nfs/dbraw/zinc/11/84/64/1377118464.db2.gz HIAVFBDTFBWFFK-GOSISDBHSA-N 2 2 343.515 3.001 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001327277841 1388480865 /nfs/dbraw/zinc/48/08/65/1388480865.db2.gz YJTNFCAAZKNAMH-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001327277841 1388480869 /nfs/dbraw/zinc/48/08/69/1388480869.db2.gz YJTNFCAAZKNAMH-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP c1ccc2ncc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001137279314 1377509588 /nfs/dbraw/zinc/50/95/88/1377509588.db2.gz KBOXQYADWVITSS-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001137314953 1377516172 /nfs/dbraw/zinc/51/61/72/1377516172.db2.gz QXQHCEQPYMAJRC-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@@H+](C)CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001268741445 1377523712 /nfs/dbraw/zinc/52/37/12/1377523712.db2.gz ZUCLVIPTXSIJES-CYBMUJFWSA-N 2 2 339.430 3.102 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[N@H+](C)CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001268741445 1377523707 /nfs/dbraw/zinc/52/37/07/1377523707.db2.gz ZUCLVIPTXSIJES-CYBMUJFWSA-N 2 2 339.430 3.102 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@H+]3C[C@H](C)CC(C)C)ccn12 ZINC001269234544 1377544819 /nfs/dbraw/zinc/54/48/19/1377544819.db2.gz ATDQSYOKRFUBJO-QAPCUYQASA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@@H+]3C[C@H](C)CC(C)C)ccn12 ZINC001269234544 1377544821 /nfs/dbraw/zinc/54/48/21/1377544821.db2.gz ATDQSYOKRFUBJO-QAPCUYQASA-N 2 2 342.487 3.129 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC001137759429 1377611411 /nfs/dbraw/zinc/61/14/11/1377611411.db2.gz SCOKWCVTRFFFAK-UHFFFAOYSA-N 2 2 342.462 3.271 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1Cl ZINC001138026265 1377668139 /nfs/dbraw/zinc/66/81/39/1377668139.db2.gz LRGINWRUDMFAMP-UHFFFAOYSA-N 2 2 339.842 3.418 20 0 EGADLP CC[N@H+](Cc1ccc(OC)c(Br)c1)C1CC[NH+](C)CC1 ZINC001138295270 1377698030 /nfs/dbraw/zinc/69/80/30/1377698030.db2.gz XLVYLLYNHURCJM-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)c(Br)c1)C1CC[NH+](C)CC1 ZINC001138295270 1377698032 /nfs/dbraw/zinc/69/80/32/1377698032.db2.gz XLVYLLYNHURCJM-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(Br)c1 ZINC001138297916 1377698719 /nfs/dbraw/zinc/69/87/19/1377698719.db2.gz XTFCVMMYHCICRH-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(Br)c1 ZINC001138297916 1377698720 /nfs/dbraw/zinc/69/87/20/1377698720.db2.gz XTFCVMMYHCICRH-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138488507 1377731865 /nfs/dbraw/zinc/73/18/65/1377731865.db2.gz SUYMRQOOPXPJMX-GASCZTMLSA-N 2 2 347.553 3.439 20 0 EGADLP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138488507 1377731866 /nfs/dbraw/zinc/73/18/66/1377731866.db2.gz SUYMRQOOPXPJMX-GASCZTMLSA-N 2 2 347.553 3.439 20 0 EGADLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138488507 1377731867 /nfs/dbraw/zinc/73/18/67/1377731867.db2.gz SUYMRQOOPXPJMX-GASCZTMLSA-N 2 2 347.553 3.439 20 0 EGADLP CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)s1 ZINC001138488507 1377731868 /nfs/dbraw/zinc/73/18/68/1377731868.db2.gz SUYMRQOOPXPJMX-GASCZTMLSA-N 2 2 347.553 3.439 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138578465 1377746911 /nfs/dbraw/zinc/74/69/11/1377746911.db2.gz LJPHSNOMWREFRF-OALUTQOASA-N 2 2 338.499 3.271 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001138802430 1377786995 /nfs/dbraw/zinc/78/69/95/1377786995.db2.gz FRRVVTOKAKDSOU-HNNXBMFYSA-N 2 2 346.500 3.346 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)s1 ZINC001138802430 1377786997 /nfs/dbraw/zinc/78/69/97/1377786997.db2.gz FRRVVTOKAKDSOU-HNNXBMFYSA-N 2 2 346.500 3.346 20 0 EGADLP COCC[N@H+](Cc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC001138835255 1377793741 /nfs/dbraw/zinc/79/37/41/1377793741.db2.gz PJQXNKZWCOIYCS-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COCC[N@@H+](Cc1c[nH]c2c1cccc2Cl)C1CC[NH+](C)CC1 ZINC001138835255 1377793746 /nfs/dbraw/zinc/79/37/46/1377793746.db2.gz PJQXNKZWCOIYCS-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138845498 1377794647 /nfs/dbraw/zinc/79/46/47/1377794647.db2.gz BJHURZDOFHLHGN-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP COc1cc(OC(F)(F)F)ccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138845498 1377794648 /nfs/dbraw/zinc/79/46/48/1377794648.db2.gz BJHURZDOFHLHGN-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)nc1OC ZINC001139108988 1377831141 /nfs/dbraw/zinc/83/11/41/1377831141.db2.gz IGMZLWVVBGXKCK-UHFFFAOYSA-N 2 2 347.503 3.328 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)nc1OC ZINC001139108988 1377831142 /nfs/dbraw/zinc/83/11/42/1377831142.db2.gz IGMZLWVVBGXKCK-UHFFFAOYSA-N 2 2 347.503 3.328 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139185998 1377846098 /nfs/dbraw/zinc/84/60/98/1377846098.db2.gz JWNHAZPENHFYGW-KBPBESRZSA-N 2 2 348.288 3.314 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc21 ZINC001139204589 1377850490 /nfs/dbraw/zinc/85/04/90/1377850490.db2.gz IKZYKAJZNWPHLE-NHCUHLMSSA-N 2 2 346.478 3.137 20 0 EGADLP O[C@@]1(C(F)(F)F)CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356746 1377873598 /nfs/dbraw/zinc/87/35/98/1377873598.db2.gz SIUQNWUTGCNAET-INIZCTEOSA-N 2 2 339.361 3.152 20 0 EGADLP O[C@@]1(C(F)(F)F)CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356746 1377873603 /nfs/dbraw/zinc/87/36/03/1377873603.db2.gz SIUQNWUTGCNAET-INIZCTEOSA-N 2 2 339.361 3.152 20 0 EGADLP COC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC001139360611 1377874407 /nfs/dbraw/zinc/87/44/07/1377874407.db2.gz YNZRCTYXJFNNCY-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP COC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC001139360611 1377874408 /nfs/dbraw/zinc/87/44/08/1377874408.db2.gz YNZRCTYXJFNNCY-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139364505 1377874774 /nfs/dbraw/zinc/87/47/74/1377874774.db2.gz UKGYLXIYDSMKDY-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139364505 1377874775 /nfs/dbraw/zinc/87/47/75/1377874775.db2.gz UKGYLXIYDSMKDY-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP COc1ccncc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001139606742 1377916633 /nfs/dbraw/zinc/91/66/33/1377916633.db2.gz OTZVEIZHNUTELF-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP c1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139759039 1377947760 /nfs/dbraw/zinc/94/77/60/1377947760.db2.gz AHZKKLLRBPPTGG-WOJBJXKFSA-N 2 2 344.499 3.020 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140021761 1377991448 /nfs/dbraw/zinc/99/14/48/1377991448.db2.gz QRRRMKCGRDIZAI-UHFFFAOYSA-N 2 2 347.418 3.468 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001140021761 1377991449 /nfs/dbraw/zinc/99/14/49/1377991449.db2.gz QRRRMKCGRDIZAI-UHFFFAOYSA-N 2 2 347.418 3.468 20 0 EGADLP CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026166 1377991742 /nfs/dbraw/zinc/99/17/42/1377991742.db2.gz IAWQDYABXCRPHL-SFHVURJKSA-N 2 2 341.455 3.346 20 0 EGADLP CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026166 1377991743 /nfs/dbraw/zinc/99/17/43/1377991743.db2.gz IAWQDYABXCRPHL-SFHVURJKSA-N 2 2 341.455 3.346 20 0 EGADLP CCOc1ccc2[nH]cc(C[N@H+](CCOC)C3CC[NH+](C)CC3)c2c1 ZINC001140271114 1378037979 /nfs/dbraw/zinc/03/79/79/1378037979.db2.gz XAUUMGPZVJOXNQ-UHFFFAOYSA-N 2 2 345.487 3.109 20 0 EGADLP CCOc1ccc2[nH]cc(C[N@@H+](CCOC)C3CC[NH+](C)CC3)c2c1 ZINC001140271114 1378037982 /nfs/dbraw/zinc/03/79/82/1378037982.db2.gz XAUUMGPZVJOXNQ-UHFFFAOYSA-N 2 2 345.487 3.109 20 0 EGADLP COc1cc(F)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001140483512 1378070817 /nfs/dbraw/zinc/07/08/17/1378070817.db2.gz USYOTMIWUJAKCX-OALUTQOASA-N 2 2 340.442 3.398 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140591363 1378092734 /nfs/dbraw/zinc/09/27/34/1378092734.db2.gz VTBFZRMKGRZPPD-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140591363 1378092736 /nfs/dbraw/zinc/09/27/36/1378092736.db2.gz VTBFZRMKGRZPPD-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140591363 1378092738 /nfs/dbraw/zinc/09/27/38/1378092738.db2.gz VTBFZRMKGRZPPD-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140591363 1378092740 /nfs/dbraw/zinc/09/27/40/1378092740.db2.gz VTBFZRMKGRZPPD-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140659100 1378108251 /nfs/dbraw/zinc/10/82/51/1378108251.db2.gz MYUMTLURIOWPCS-LJQANCHMSA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140659100 1378108252 /nfs/dbraw/zinc/10/82/52/1378108252.db2.gz MYUMTLURIOWPCS-LJQANCHMSA-N 2 2 332.488 3.084 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(C)c1 ZINC001140677790 1378112655 /nfs/dbraw/zinc/11/26/55/1378112655.db2.gz ZHPYLIAMYHCFHZ-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001140689378 1378114752 /nfs/dbraw/zinc/11/47/52/1378114752.db2.gz WLGHVIVECRRLCO-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001140689378 1378114756 /nfs/dbraw/zinc/11/47/56/1378114756.db2.gz WLGHVIVECRRLCO-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001140689378 1378114758 /nfs/dbraw/zinc/11/47/58/1378114758.db2.gz WLGHVIVECRRLCO-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001140689378 1378114762 /nfs/dbraw/zinc/11/47/62/1378114762.db2.gz WLGHVIVECRRLCO-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801619 1378141371 /nfs/dbraw/zinc/14/13/71/1378141371.db2.gz TXRKHEUIHARUKP-SJORKVTESA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140801619 1378141373 /nfs/dbraw/zinc/14/13/73/1378141373.db2.gz TXRKHEUIHARUKP-SJORKVTESA-N 2 2 342.443 3.147 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001140805343 1378143519 /nfs/dbraw/zinc/14/35/19/1378143519.db2.gz BMWQRZDOWMYNJE-DYESRHJHSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001140805343 1378143523 /nfs/dbraw/zinc/14/35/23/1378143523.db2.gz BMWQRZDOWMYNJE-DYESRHJHSA-N 2 2 332.451 3.269 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001141155809 1378253142 /nfs/dbraw/zinc/25/31/42/1378253142.db2.gz KJIAMWFNBZUYHQ-AWEZNQCLSA-N 2 2 348.349 3.365 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001141155809 1378253145 /nfs/dbraw/zinc/25/31/45/1378253145.db2.gz KJIAMWFNBZUYHQ-AWEZNQCLSA-N 2 2 348.349 3.365 20 0 EGADLP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449243 1378308174 /nfs/dbraw/zinc/30/81/74/1378308174.db2.gz BJNLSOSNHSHEGG-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449243 1378308180 /nfs/dbraw/zinc/30/81/80/1378308180.db2.gz BJNLSOSNHSHEGG-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449243 1378308185 /nfs/dbraw/zinc/30/81/85/1378308185.db2.gz BJNLSOSNHSHEGG-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc4c[nH]nc42)C3)c1 ZINC001279449243 1378308194 /nfs/dbraw/zinc/30/81/94/1378308194.db2.gz BJNLSOSNHSHEGG-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3cc(Cl)ccc13)CC2 ZINC001141582006 1378346176 /nfs/dbraw/zinc/34/61/76/1378346176.db2.gz ALDLJEOTRZKNJC-UHFFFAOYSA-N 2 2 346.862 3.451 20 0 EGADLP CC(=O)OCc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001141794021 1378378439 /nfs/dbraw/zinc/37/84/39/1378378439.db2.gz RNGVYXINCCYWMQ-UHFFFAOYSA-N 2 2 339.395 3.160 20 0 EGADLP CC(=O)OCc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001141794021 1378378442 /nfs/dbraw/zinc/37/84/42/1378378442.db2.gz RNGVYXINCCYWMQ-UHFFFAOYSA-N 2 2 339.395 3.160 20 0 EGADLP CC(C)(C)c1nc[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001142230886 1378422783 /nfs/dbraw/zinc/42/27/83/1378422783.db2.gz UCLVEMUIBRZMEI-ROUUACIJSA-N 2 2 338.499 3.271 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001282726113 1378580349 /nfs/dbraw/zinc/58/03/49/1378580349.db2.gz SOLVEIZHQKUTFX-KRWDZBQOSA-N 2 2 346.519 3.070 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143879379 1378656883 /nfs/dbraw/zinc/65/68/83/1378656883.db2.gz IOZJYJKFJLEIQV-UHFFFAOYSA-N 2 2 343.349 3.312 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143879379 1378656886 /nfs/dbraw/zinc/65/68/86/1378656886.db2.gz IOZJYJKFJLEIQV-UHFFFAOYSA-N 2 2 343.349 3.312 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C(C)(C)C ZINC001284614683 1380013799 /nfs/dbraw/zinc/01/37/99/1380013799.db2.gz WIKOQSBTZZYUFN-KRWDZBQOSA-N 2 2 348.535 3.054 20 0 EGADLP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005173 1380175741 /nfs/dbraw/zinc/17/57/41/1380175741.db2.gz ZYMQWPCNOCZZNZ-DLBZAZTESA-N 2 2 349.519 3.142 20 0 EGADLP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005173 1380175745 /nfs/dbraw/zinc/17/57/45/1380175745.db2.gz ZYMQWPCNOCZZNZ-DLBZAZTESA-N 2 2 349.519 3.142 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154078218 1380199856 /nfs/dbraw/zinc/19/98/56/1380199856.db2.gz GYGYOKDGDMQRMC-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154078218 1380199858 /nfs/dbraw/zinc/19/98/58/1380199858.db2.gz GYGYOKDGDMQRMC-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093197 1380205008 /nfs/dbraw/zinc/20/50/08/1380205008.db2.gz UWJUTMAYTCFJTG-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093197 1380205014 /nfs/dbraw/zinc/20/50/14/1380205014.db2.gz UWJUTMAYTCFJTG-YQJUVHNHSA-N 2 2 346.519 3.019 20 0 EGADLP Fc1cccc(Oc2cncc(-n3c[nH+]cc3C3CC[NH2+]CC3)n2)c1 ZINC001155063983 1380401462 /nfs/dbraw/zinc/40/14/62/1380401462.db2.gz LAASQOZGZLTJPO-UHFFFAOYSA-N 2 2 339.374 3.061 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189465 1380421951 /nfs/dbraw/zinc/42/19/51/1380421951.db2.gz ONZGTFYLTHPYRD-YCZSJOHXSA-N 2 2 332.492 3.013 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189465 1380421952 /nfs/dbraw/zinc/42/19/52/1380421952.db2.gz ONZGTFYLTHPYRD-YCZSJOHXSA-N 2 2 332.492 3.013 20 0 EGADLP Cc1ccc2c(c1)[C@@H](Nc1cc(N(C)C)nc[nH+]1)CC21CC[NH2+]CC1 ZINC001155430105 1380451525 /nfs/dbraw/zinc/45/15/25/1380451525.db2.gz DQXZFWIMLUPUSJ-KRWDZBQOSA-N 2 2 337.471 3.029 20 0 EGADLP Cc1ccc2c(c1)[C@@H](Nc1cc(N(C)C)[nH+]cn1)CC21CC[NH2+]CC1 ZINC001155430105 1380451527 /nfs/dbraw/zinc/45/15/27/1380451527.db2.gz DQXZFWIMLUPUSJ-KRWDZBQOSA-N 2 2 337.471 3.029 20 0 EGADLP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149460 1380531168 /nfs/dbraw/zinc/53/11/68/1380531168.db2.gz KRVHEELWXHZGFW-QGZVFWFLSA-N 2 2 340.471 3.279 20 0 EGADLP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149460 1380531169 /nfs/dbraw/zinc/53/11/69/1380531169.db2.gz KRVHEELWXHZGFW-QGZVFWFLSA-N 2 2 340.471 3.279 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050105 1381112193 /nfs/dbraw/zinc/11/21/93/1381112193.db2.gz HJNHKOYLMBICJQ-GOSISDBHSA-N 2 2 334.508 3.091 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050105 1381112198 /nfs/dbraw/zinc/11/21/98/1381112198.db2.gz HJNHKOYLMBICJQ-GOSISDBHSA-N 2 2 334.508 3.091 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050105 1381112203 /nfs/dbraw/zinc/11/22/03/1381112203.db2.gz HJNHKOYLMBICJQ-GOSISDBHSA-N 2 2 334.508 3.091 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050105 1381112207 /nfs/dbraw/zinc/11/22/07/1381112207.db2.gz HJNHKOYLMBICJQ-GOSISDBHSA-N 2 2 334.508 3.091 20 0 EGADLP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128526 1381136857 /nfs/dbraw/zinc/13/68/57/1381136857.db2.gz APCNLDKIHRLYQQ-MRXNPFEDSA-N 2 2 328.460 3.290 20 0 EGADLP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128526 1381136860 /nfs/dbraw/zinc/13/68/60/1381136860.db2.gz APCNLDKIHRLYQQ-MRXNPFEDSA-N 2 2 328.460 3.290 20 0 EGADLP CCOC(=O)Cc1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001158266833 1381178322 /nfs/dbraw/zinc/17/83/22/1381178322.db2.gz USRKZHOFCPFLPW-BEFAXECRSA-N 2 2 333.476 3.143 20 0 EGADLP CCOC(=O)c1c(Nc2c[nH+]cc(C)c2C)sc2c1CC[NH2+]C2 ZINC001159212339 1381731803 /nfs/dbraw/zinc/73/18/03/1381731803.db2.gz LQRBLSZKDZZYAS-UHFFFAOYSA-N 2 2 331.441 3.326 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(N)n1)c1ccc(Cl)cc1Cl ZINC001159516721 1381815312 /nfs/dbraw/zinc/81/53/12/1381815312.db2.gz XNMBMEDADNFZNN-LBPRGKRZSA-N 2 2 326.231 3.080 20 0 EGADLP c1c[nH+]c(-c2ccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)cc2)[nH]1 ZINC001159571644 1381833986 /nfs/dbraw/zinc/83/39/86/1381833986.db2.gz QEVWGYXTWMTJAR-UHFFFAOYSA-N 2 2 333.439 3.226 20 0 EGADLP OC1C[NH+](Cc2ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)cc2)C1 ZINC001159598575 1381841889 /nfs/dbraw/zinc/84/18/89/1381841889.db2.gz UNOPFTPUVFUUQL-UHFFFAOYSA-N 2 2 337.467 3.074 20 0 EGADLP Cc1[nH+]cc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)cc1N ZINC001159889822 1381928969 /nfs/dbraw/zinc/92/89/69/1381928969.db2.gz WJNLEQACNMLEPL-UHFFFAOYSA-N 2 2 330.407 3.233 20 0 EGADLP Cc1[nH+]cc(Nc2ccc(Br)c3c2C[NH2+]CC3)cc1N ZINC001159941519 1381943863 /nfs/dbraw/zinc/94/38/63/1381943863.db2.gz DIHFXDNNCCZTIB-UHFFFAOYSA-N 2 2 333.233 3.124 20 0 EGADLP CNc1ccc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001160156227 1382018972 /nfs/dbraw/zinc/01/89/72/1382018972.db2.gz IMEZGHVMLAQYQI-UHFFFAOYSA-N 2 2 330.407 3.384 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)c2[nH]1 ZINC001160468624 1382115840 /nfs/dbraw/zinc/11/58/40/1382115840.db2.gz DPNKWKLXRXNNJQ-QKDCVEJESA-N 2 2 342.443 3.167 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2[nH]1 ZINC001160468624 1382115841 /nfs/dbraw/zinc/11/58/41/1382115841.db2.gz DPNKWKLXRXNNJQ-QKDCVEJESA-N 2 2 342.443 3.167 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528597 1382132293 /nfs/dbraw/zinc/13/22/93/1382132293.db2.gz RNSCTSCBIGQUKG-ROUUACIJSA-N 2 2 336.524 3.248 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001292849933 1382220313 /nfs/dbraw/zinc/22/03/13/1382220313.db2.gz BXLVEMXKUZQYII-KRWDZBQOSA-N 2 2 340.471 3.063 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NC1CC[NH+](CC(C)(C)C)CC1 ZINC001161209023 1382342906 /nfs/dbraw/zinc/34/29/06/1382342906.db2.gz UXDVQGBRMKPFKW-VOTSOKGWSA-N 2 2 345.487 3.499 20 0 EGADLP c1cn(CCCNc2nccc3c2CC[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC001161682763 1382478990 /nfs/dbraw/zinc/47/89/90/1382478990.db2.gz XCCWMCPXTQROEJ-UHFFFAOYSA-N 2 2 347.466 3.339 20 0 EGADLP c1cn(CCCNc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC001161682763 1382478993 /nfs/dbraw/zinc/47/89/93/1382478993.db2.gz XCCWMCPXTQROEJ-UHFFFAOYSA-N 2 2 347.466 3.339 20 0 EGADLP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784679 1382505422 /nfs/dbraw/zinc/50/54/22/1382505422.db2.gz HAJBESZXXRVMNM-WAYWQWQTSA-N 2 2 344.503 3.145 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784679 1382505426 /nfs/dbraw/zinc/50/54/26/1382505426.db2.gz HAJBESZXXRVMNM-WAYWQWQTSA-N 2 2 344.503 3.145 20 0 EGADLP c1cc(-c2cc[nH+]c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)c2)ccn1 ZINC001162959100 1382927886 /nfs/dbraw/zinc/92/78/86/1382927886.db2.gz WUZFLDBWXNPFCS-SFHVURJKSA-N 2 2 338.455 3.104 20 0 EGADLP c1ccn(-c2ccc(NCc3cccnc3C3CC[NH2+]CC3)[nH+]c2)c1 ZINC001163909700 1383135098 /nfs/dbraw/zinc/13/50/98/1383135098.db2.gz QTSUZSADOZDMKT-UHFFFAOYSA-N 2 2 333.439 3.346 20 0 EGADLP C[NH+](C)C1(CNc2ccc3c(c2)[nH]c2cc[nH+]cc23)CC[NH+](C)CC1 ZINC001164217505 1383167403 /nfs/dbraw/zinc/16/74/03/1383167403.db2.gz VUPFRDGTQYBPGY-UHFFFAOYSA-N 3 2 337.471 3.154 20 0 EGADLP COc1cc2[nH+]c(N3CCC[C@](C)(C[NH3+])CC3)ccc2c(OC)c1 ZINC001164249563 1383171401 /nfs/dbraw/zinc/17/14/01/1383171401.db2.gz FGVUPBHBCFFAPP-IBGZPJMESA-N 2 2 329.444 3.207 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001164335185 1383178563 /nfs/dbraw/zinc/17/85/63/1383178563.db2.gz SGIDXSWGSGJMTQ-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP CCc1nc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc(C)[nH+]1 ZINC001165154717 1383238820 /nfs/dbraw/zinc/23/88/20/1383238820.db2.gz OKHJWJTZWBRGFN-UHFFFAOYSA-N 2 2 336.483 3.375 20 0 EGADLP CCc1nc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc(C)[nH+]1 ZINC001165154717 1383238826 /nfs/dbraw/zinc/23/88/26/1383238826.db2.gz OKHJWJTZWBRGFN-UHFFFAOYSA-N 2 2 336.483 3.375 20 0 EGADLP COc1ccc(C)[nH+]c1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165304466 1383269895 /nfs/dbraw/zinc/26/98/95/1383269895.db2.gz OWTFQJBBNFBEEX-CYBMUJFWSA-N 2 2 329.366 3.052 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)cc3cc(F)ccc31)CC[NH2+]CC2 ZINC001165351823 1383280451 /nfs/dbraw/zinc/28/04/51/1383280451.db2.gz KVZVFIGQQKVFIU-UHFFFAOYSA-N 2 2 330.794 3.210 20 0 EGADLP CC/C=C/CC[NH2+]CC1(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001165756322 1383339366 /nfs/dbraw/zinc/33/93/66/1383339366.db2.gz BPTPHXDAEKEVMU-ONEGZZNKSA-N 2 2 340.471 3.409 20 0 EGADLP CC/C=C\CC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138124 1383394528 /nfs/dbraw/zinc/39/45/28/1383394528.db2.gz FHUJBQJAXPBQES-ARJAWSKDSA-N 2 2 340.471 3.180 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2(C[NH2+]CC[C@@H](C)F)CC2)c(C)[nH+]1 ZINC001166293802 1383409632 /nfs/dbraw/zinc/40/96/32/1383409632.db2.gz BSSLFOMBSFUURF-CQSZACIVSA-N 2 2 335.467 3.245 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348180 1383605407 /nfs/dbraw/zinc/60/54/07/1383605407.db2.gz DMGYOKKZESPXHV-OOFWQKGWSA-N 2 2 346.519 3.457 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3nccc4ccccc43)c2)C1 ZINC001167704181 1383717126 /nfs/dbraw/zinc/71/71/26/1383717126.db2.gz COVKWOMYISMIOQ-GOSISDBHSA-N 2 2 332.451 3.380 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3nccc4ccccc43)c2)C1 ZINC001167704181 1383717129 /nfs/dbraw/zinc/71/71/29/1383717129.db2.gz COVKWOMYISMIOQ-GOSISDBHSA-N 2 2 332.451 3.380 20 0 EGADLP Cc1[nH+]c(N)ccc1CNc1cc[nH+]c2ccc(Br)cc12 ZINC001167785961 1383740850 /nfs/dbraw/zinc/74/08/50/1383740850.db2.gz JAFXNVVZRDFRNO-UHFFFAOYSA-N 2 2 343.228 3.317 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167942568 1383774970 /nfs/dbraw/zinc/77/49/70/1383774970.db2.gz WXTMMNLECYLQMD-UHFFFAOYSA-N 2 2 348.535 3.055 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2)c[nH+]1 ZINC001167964911 1383780489 /nfs/dbraw/zinc/78/04/89/1383780489.db2.gz ZYPBNEUOAAMJEZ-VCSGRIEYSA-N 3 2 336.483 3.367 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2)c[nH+]1 ZINC001167964911 1383780491 /nfs/dbraw/zinc/78/04/91/1383780491.db2.gz ZYPBNEUOAAMJEZ-VCSGRIEYSA-N 3 2 336.483 3.367 20 0 EGADLP C[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167974276 1383783308 /nfs/dbraw/zinc/78/33/08/1383783308.db2.gz TZZMQVKUQPQCEE-HNYYDBCASA-N 3 2 341.543 3.489 20 0 EGADLP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167974276 1383783312 /nfs/dbraw/zinc/78/33/12/1383783312.db2.gz TZZMQVKUQPQCEE-HNYYDBCASA-N 3 2 341.543 3.489 20 0 EGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974276 1383783316 /nfs/dbraw/zinc/78/33/16/1383783316.db2.gz TZZMQVKUQPQCEE-HNYYDBCASA-N 3 2 341.543 3.489 20 0 EGADLP C[C@@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974276 1383783319 /nfs/dbraw/zinc/78/33/19/1383783319.db2.gz TZZMQVKUQPQCEE-HNYYDBCASA-N 3 2 341.543 3.489 20 0 EGADLP C[C@@H]1CC([N@@H+]2C[C@H](F)C[C@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039328 1383801867 /nfs/dbraw/zinc/80/18/67/1383801867.db2.gz DEGADCBYUODHSZ-ZAWLATJESA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1CC([N@H+]2C[C@H](F)C[C@H](CO)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039328 1383801870 /nfs/dbraw/zinc/80/18/70/1383801870.db2.gz DEGADCBYUODHSZ-ZAWLATJESA-N 2 2 334.479 3.080 20 0 EGADLP CCOc1cccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168387766 1383891880 /nfs/dbraw/zinc/89/18/80/1383891880.db2.gz SWNUQMVVDGQOAL-UHFFFAOYSA-N 2 2 343.515 3.082 20 0 EGADLP Cc1cc(Br)c(Cl)cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737295 1383986050 /nfs/dbraw/zinc/98/60/50/1383986050.db2.gz XVXJTXFLPYTWLE-UHFFFAOYSA-N 2 2 345.672 3.005 20 0 EGADLP Clc1cccc2c1C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001168698701 1383971212 /nfs/dbraw/zinc/97/12/12/1383971212.db2.gz LCLPQHGTRCNKKJ-MRXNPFEDSA-N 2 2 327.859 3.461 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001168729288 1383982897 /nfs/dbraw/zinc/98/28/97/1383982897.db2.gz HPYFXRCVGOIAHU-KRXQYRFLSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001168729288 1383982904 /nfs/dbraw/zinc/98/29/04/1383982904.db2.gz HPYFXRCVGOIAHU-KRXQYRFLSA-N 2 2 349.906 3.074 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3ccccc3cc2Br)CC1 ZINC001168736832 1383985936 /nfs/dbraw/zinc/98/59/36/1383985936.db2.gz LLWHZDVJLHXJEN-UHFFFAOYSA-N 2 2 347.260 3.196 20 0 EGADLP Cc1nn2c(C[NH2+]C3CC[NH+](C(C)C)CC3)c(C(C)C)nc2s1 ZINC001308188759 1384106779 /nfs/dbraw/zinc/10/67/79/1384106779.db2.gz YVNXWGJOEASMGC-UHFFFAOYSA-N 2 2 335.521 3.185 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC001308227390 1384110573 /nfs/dbraw/zinc/11/05/73/1384110573.db2.gz HNEQLWTZDUTIIE-RUYXUALKSA-N 2 2 346.515 3.312 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169144776 1384113975 /nfs/dbraw/zinc/11/39/75/1384113975.db2.gz NKVDBKFZJRQRCX-YJYMSZOUSA-N 2 2 344.459 3.305 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001308338978 1384120292 /nfs/dbraw/zinc/12/02/92/1384120292.db2.gz SGKGXDBNALWLLG-OAHLLOKOSA-N 2 2 338.467 3.301 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001308338978 1384120294 /nfs/dbraw/zinc/12/02/94/1384120294.db2.gz SGKGXDBNALWLLG-OAHLLOKOSA-N 2 2 338.467 3.301 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001169224690 1384124546 /nfs/dbraw/zinc/12/45/46/1384124546.db2.gz KTQOUPAJNHUQTE-UHFFFAOYSA-N 2 2 334.464 3.003 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC001308559369 1384134105 /nfs/dbraw/zinc/13/41/05/1384134105.db2.gz DBLDBQSKCXJAJP-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP CCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC001308559369 1384134107 /nfs/dbraw/zinc/13/41/07/1384134107.db2.gz DBLDBQSKCXJAJP-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP Cc1csc2nc(C)c(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n12 ZINC001308681545 1384141998 /nfs/dbraw/zinc/14/19/98/1384141998.db2.gz RTXHDKIVVKAGLP-OAHLLOKOSA-N 2 2 343.500 3.201 20 0 EGADLP Cc1csc2nc(C)c(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n12 ZINC001308681545 1384142001 /nfs/dbraw/zinc/14/20/01/1384142001.db2.gz RTXHDKIVVKAGLP-OAHLLOKOSA-N 2 2 343.500 3.201 20 0 EGADLP CCCC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001308777739 1384149383 /nfs/dbraw/zinc/14/93/83/1384149383.db2.gz OCLJWGDRTSWKFK-CEWLAPEOSA-N 2 2 330.516 3.354 20 0 EGADLP CCCC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001308777739 1384149385 /nfs/dbraw/zinc/14/93/85/1384149385.db2.gz OCLJWGDRTSWKFK-CEWLAPEOSA-N 2 2 330.516 3.354 20 0 EGADLP CCC/C=C/CC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022988 1384220184 /nfs/dbraw/zinc/22/01/84/1384220184.db2.gz MDDFKKKVIICHQO-SNAWJCMRSA-N 2 2 340.471 3.328 20 0 EGADLP Fc1cccc2c1C[C@@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)CC2 ZINC001171013248 1384429752 /nfs/dbraw/zinc/42/97/52/1384429752.db2.gz SCDIGARRFLLEPZ-INIZCTEOSA-N 2 2 343.421 3.476 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151390 1384455317 /nfs/dbraw/zinc/45/53/17/1384455317.db2.gz IBBRAPXGDRDRKW-KEGWNNHHSA-N 2 2 334.508 3.353 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151390 1384455318 /nfs/dbraw/zinc/45/53/18/1384455318.db2.gz IBBRAPXGDRDRKW-KEGWNNHHSA-N 2 2 334.508 3.353 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153396 1384456122 /nfs/dbraw/zinc/45/61/22/1384456122.db2.gz YAZMGMFQAUHPJX-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153396 1384456123 /nfs/dbraw/zinc/45/61/23/1384456123.db2.gz YAZMGMFQAUHPJX-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Fc1cc(F)c2c(c1)C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001171347632 1384498706 /nfs/dbraw/zinc/49/87/06/1384498706.db2.gz XBRKGOANCGWXRN-QGZVFWFLSA-N 2 2 343.421 3.476 20 0 EGADLP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171471877 1384532299 /nfs/dbraw/zinc/53/22/99/1384532299.db2.gz MBXLUJXPRABEPM-QGZVFWFLSA-N 2 2 343.421 3.167 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171485341 1384537061 /nfs/dbraw/zinc/53/70/61/1384537061.db2.gz ATKUYKRIIVCYRY-MRXNPFEDSA-N 2 2 347.503 3.088 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577298 1384569651 /nfs/dbraw/zinc/56/96/51/1384569651.db2.gz PTLQXKWFLMVFFN-ZWKOTPCHSA-N 2 2 348.535 3.290 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577747 1384569980 /nfs/dbraw/zinc/56/99/80/1384569980.db2.gz WFSGCNFYHDFERL-ROUUACIJSA-N 2 2 348.535 3.146 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171606336 1384578029 /nfs/dbraw/zinc/57/80/29/1384578029.db2.gz UKIJXMUGGZYAAK-ROUUACIJSA-N 2 2 348.535 3.290 20 0 EGADLP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC001171867166 1384666221 /nfs/dbraw/zinc/66/62/21/1384666221.db2.gz VHIUEUHMQCUBCY-HXUWFJFHSA-N 2 2 343.515 3.147 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896471 1384673968 /nfs/dbraw/zinc/67/39/68/1384673968.db2.gz OSMUWDLIQSPQER-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP c1[nH+]cn2c1CN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172073558 1384719218 /nfs/dbraw/zinc/71/92/18/1384719218.db2.gz AJVOXYKQCRKGOF-PMOLBWCYSA-N 2 2 336.483 3.284 20 0 EGADLP c1[nH+]cn2c1CN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172073558 1384719221 /nfs/dbraw/zinc/71/92/21/1384719221.db2.gz AJVOXYKQCRKGOF-PMOLBWCYSA-N 2 2 336.483 3.284 20 0 EGADLP Cc1cc(F)ccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127393 1384736078 /nfs/dbraw/zinc/73/60/78/1384736078.db2.gz IMZDHPXYXBJINM-REPLKXPHSA-N 2 2 331.479 3.271 20 0 EGADLP Cc1cc(F)ccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127393 1384736080 /nfs/dbraw/zinc/73/60/80/1384736080.db2.gz IMZDHPXYXBJINM-REPLKXPHSA-N 2 2 331.479 3.271 20 0 EGADLP CC(C)COCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172458435 1384796952 /nfs/dbraw/zinc/79/69/52/1384796952.db2.gz YVBMNZLCFNGRBF-SFHVURJKSA-N 2 2 334.504 3.060 20 0 EGADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640493 1384825000 /nfs/dbraw/zinc/82/50/00/1384825000.db2.gz OGRGURVXEQBDKP-IXDOHACOSA-N 2 2 339.524 3.368 20 0 EGADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640493 1384825003 /nfs/dbraw/zinc/82/50/03/1384825003.db2.gz OGRGURVXEQBDKP-IXDOHACOSA-N 2 2 339.524 3.368 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172658206 1384827733 /nfs/dbraw/zinc/82/77/33/1384827733.db2.gz XNVJHQPJGFZQES-UHFFFAOYSA-N 2 2 348.535 3.275 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172658206 1384827734 /nfs/dbraw/zinc/82/77/34/1384827734.db2.gz XNVJHQPJGFZQES-UHFFFAOYSA-N 2 2 348.535 3.275 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172658206 1384827737 /nfs/dbraw/zinc/82/77/37/1384827737.db2.gz XNVJHQPJGFZQES-UHFFFAOYSA-N 2 2 348.535 3.275 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C1CC(C)(C)OC(C)(C)C1)C2 ZINC001172658206 1384827740 /nfs/dbraw/zinc/82/77/40/1384827740.db2.gz XNVJHQPJGFZQES-UHFFFAOYSA-N 2 2 348.535 3.275 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809814 1384857808 /nfs/dbraw/zinc/85/78/08/1384857808.db2.gz ZUDGYTLOPDFRGB-ROUUACIJSA-N 2 2 341.455 3.426 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809814 1384857811 /nfs/dbraw/zinc/85/78/11/1384857811.db2.gz ZUDGYTLOPDFRGB-ROUUACIJSA-N 2 2 341.455 3.426 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H](OC)C2)CC1 ZINC001172923603 1384880186 /nfs/dbraw/zinc/88/01/86/1384880186.db2.gz NNTLYGZOTAZBOY-OALUTQOASA-N 2 2 332.488 3.207 20 0 EGADLP CO[C@@H]1CCC[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938971 1384883789 /nfs/dbraw/zinc/88/37/89/1384883789.db2.gz SCYGATFNRCETMF-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938971 1384883791 /nfs/dbraw/zinc/88/37/91/1384883791.db2.gz SCYGATFNRCETMF-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938971 1384883796 /nfs/dbraw/zinc/88/37/96/1384883796.db2.gz SCYGATFNRCETMF-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938971 1384883798 /nfs/dbraw/zinc/88/37/98/1384883798.db2.gz SCYGATFNRCETMF-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172960229 1384890424 /nfs/dbraw/zinc/89/04/24/1384890424.db2.gz TUUFMBDHXPVHAW-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172960229 1384890427 /nfs/dbraw/zinc/89/04/27/1384890427.db2.gz TUUFMBDHXPVHAW-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP Fc1cc2c(cc1F)CC([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001173475544 1384977348 /nfs/dbraw/zinc/97/73/48/1384977348.db2.gz NTXJNUXZNADCEL-UHFFFAOYSA-N 2 2 325.362 3.408 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3F)CC2)C1 ZINC001173629906 1384991893 /nfs/dbraw/zinc/99/18/93/1384991893.db2.gz CXXMCUWBTMQNHG-CVEARBPZSA-N 2 2 348.462 3.197 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580048 1385121924 /nfs/dbraw/zinc/12/19/24/1385121924.db2.gz FPAZZGLCWDTMFB-GOSISDBHSA-N 2 2 342.487 3.046 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580213 1385122106 /nfs/dbraw/zinc/12/21/06/1385122106.db2.gz IDZKDPSMGBTCIC-ROUUACIJSA-N 2 2 336.524 3.220 20 0 EGADLP CCN(C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC001174813444 1385153359 /nfs/dbraw/zinc/15/33/59/1385153359.db2.gz KIHODIKLYSZACA-UHFFFAOYSA-N 2 2 325.460 3.033 20 0 EGADLP C[NH+](C)CCOc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175352328 1385263933 /nfs/dbraw/zinc/26/39/33/1385263933.db2.gz NFJTUMYLNFGSGN-UHFFFAOYSA-N 2 2 326.444 3.366 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175459825 1385298305 /nfs/dbraw/zinc/29/83/05/1385298305.db2.gz BKUGUJGBHTZZNL-INIZCTEOSA-N 2 2 332.492 3.107 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461722 1385299234 /nfs/dbraw/zinc/29/92/34/1385299234.db2.gz PPYHBLRPXKMZNQ-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501167 1385311913 /nfs/dbraw/zinc/31/19/13/1385311913.db2.gz BSQIVSFXNRBYCT-FDICQLOXSA-N 2 2 334.508 3.455 20 0 EGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1NC1=CCC[N@@H+](C)C1 ZINC001175577886 1385338198 /nfs/dbraw/zinc/33/81/98/1385338198.db2.gz ZDIGRLRSAAVSKW-UHFFFAOYSA-N 2 2 335.249 3.345 20 0 EGADLP Cc1[nH+]c2c(Br)cc(C)cn2c1NC1=CCC[N@H+](C)C1 ZINC001175577886 1385338202 /nfs/dbraw/zinc/33/82/02/1385338202.db2.gz ZDIGRLRSAAVSKW-UHFFFAOYSA-N 2 2 335.249 3.345 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175639473 1385359892 /nfs/dbraw/zinc/35/98/92/1385359892.db2.gz ZSKZATQWCKFCDG-JKSUJKDBSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175639473 1385359895 /nfs/dbraw/zinc/35/98/95/1385359895.db2.gz ZSKZATQWCKFCDG-JKSUJKDBSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880593 1385428510 /nfs/dbraw/zinc/42/85/10/1385428510.db2.gz AQJUYEXGWLDFSF-HUUCEWRRSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176164307 1385500328 /nfs/dbraw/zinc/50/03/28/1385500328.db2.gz ACDZINWKFRILHF-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1c[nH+]cn1C ZINC001176392331 1385575098 /nfs/dbraw/zinc/57/50/98/1385575098.db2.gz LFLLAJIDVNMYNZ-INIZCTEOSA-N 2 2 348.535 3.054 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC001176828852 1385715129 /nfs/dbraw/zinc/71/51/29/1385715129.db2.gz FYCKRSNRVPCJKO-JKSUJKDBSA-N 2 2 346.450 3.048 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC001176829638 1385715884 /nfs/dbraw/zinc/71/58/84/1385715884.db2.gz PDMWQKPDXXODPW-QGZVFWFLSA-N 2 2 348.535 3.364 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829989 1385715943 /nfs/dbraw/zinc/71/59/43/1385715943.db2.gz XGBJSGRUVYTUQE-QZTJIDSGSA-N 2 2 342.487 3.217 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001176830035 1385716140 /nfs/dbraw/zinc/71/61/40/1385716140.db2.gz YOCLORFDJZQKKV-ZWKOTPCHSA-N 2 2 342.487 3.217 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001177412984 1385946940 /nfs/dbraw/zinc/94/69/40/1385946940.db2.gz MSFBMOQYTKPRDI-KRWDZBQOSA-N 2 2 346.519 3.238 20 0 EGADLP CC[C@H]([NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC001698634244 1406278140 /nfs/dbraw/zinc/27/81/40/1406278140.db2.gz RJGWIQISKQPZFF-SFHVURJKSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n[nH]1 ZINC001319729361 1386273021 /nfs/dbraw/zinc/27/30/21/1386273021.db2.gz XCECAWUPUFTDJR-UHFFFAOYSA-N 2 2 327.476 3.108 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995509 1386370783 /nfs/dbraw/zinc/37/07/83/1386370783.db2.gz FOBLXMABTBLQTK-HOCLYGCPSA-N 2 2 328.460 3.192 20 0 EGADLP CC1CC(C[NH2+]CCCCCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001179558255 1386514561 /nfs/dbraw/zinc/51/45/61/1386514561.db2.gz QXJTWPIYJSNDPM-JCYILVPMSA-N 2 2 346.519 3.142 20 0 EGADLP CC1CCC(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001179689956 1386555324 /nfs/dbraw/zinc/55/53/24/1386555324.db2.gz TWTVNDAKBRLMST-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777476 1386581947 /nfs/dbraw/zinc/58/19/47/1386581947.db2.gz XIGREUMPCGPFKA-INIZCTEOSA-N 2 2 334.508 3.045 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001179777476 1386581950 /nfs/dbraw/zinc/58/19/50/1386581950.db2.gz XIGREUMPCGPFKA-INIZCTEOSA-N 2 2 334.508 3.045 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180178931 1386722800 /nfs/dbraw/zinc/72/28/00/1386722800.db2.gz LCYCNQQALXPTFF-UHFFFAOYSA-N 2 2 348.535 3.055 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C3)ccn12 ZINC001182579584 1387190411 /nfs/dbraw/zinc/19/04/11/1387190411.db2.gz GNLKHZNQGPBKPN-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP C[NH+](C)C1(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001182597940 1387194230 /nfs/dbraw/zinc/19/42/30/1387194230.db2.gz XNNGJLLMHOBRMP-UHFFFAOYSA-N 2 2 335.451 3.235 20 0 EGADLP C[NH+](C)C1(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CC1 ZINC001182597940 1387194233 /nfs/dbraw/zinc/19/42/33/1387194233.db2.gz XNNGJLLMHOBRMP-UHFFFAOYSA-N 2 2 335.451 3.235 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001182767802 1387221680 /nfs/dbraw/zinc/22/16/80/1387221680.db2.gz LQMYUQSBFGPGEX-MBOZVWFJSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767811 1387221842 /nfs/dbraw/zinc/22/18/42/1387221842.db2.gz LYTOZWCMHZFCFI-QWFCFKBJSA-N 2 2 348.535 3.345 20 0 EGADLP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC001331532421 1389786610 /nfs/dbraw/zinc/78/66/10/1389786610.db2.gz HEXFEKYJKSVYED-MRXNPFEDSA-N 2 2 342.512 3.062 20 0 EGADLP c1cnc2cccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC001332384818 1390102598 /nfs/dbraw/zinc/10/25/98/1390102598.db2.gz HCZZHOUIOYPQNQ-UHFFFAOYSA-N 2 2 347.462 3.357 20 0 EGADLP CC[NH2+]C1(CNC(=O)[C@@H](C)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001333015061 1390237060 /nfs/dbraw/zinc/23/70/60/1390237060.db2.gz QDHZLWUZPCKTHI-SFHVURJKSA-N 2 2 345.531 3.039 20 0 EGADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001342399944 1390608681 /nfs/dbraw/zinc/60/86/81/1390608681.db2.gz XQBKRCBKHXGETQ-LJQANCHMSA-N 2 2 339.414 3.032 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC001335395250 1390679182 /nfs/dbraw/zinc/67/91/82/1390679182.db2.gz RWVYEVYXOIIGES-XHDPSFHLSA-N 2 2 328.243 3.149 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1 ZINC001346122436 1390909270 /nfs/dbraw/zinc/90/92/70/1390909270.db2.gz IYEHFDQLLFCIAN-RTBURBONSA-N 2 2 339.414 3.166 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC001347643136 1391105094 /nfs/dbraw/zinc/10/50/94/1391105094.db2.gz PPGXZHMCKGOPRD-NVXWUHKLSA-N 2 2 339.439 3.154 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC001347643136 1391105097 /nfs/dbraw/zinc/10/50/97/1391105097.db2.gz PPGXZHMCKGOPRD-NVXWUHKLSA-N 2 2 339.439 3.154 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001480767289 1392921111 /nfs/dbraw/zinc/92/11/11/1392921111.db2.gz JGSHMTVVHSBKMZ-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001480767289 1392921114 /nfs/dbraw/zinc/92/11/14/1392921114.db2.gz JGSHMTVVHSBKMZ-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CCc2ccccc2)c(C)[nH+]1 ZINC001480780745 1392929357 /nfs/dbraw/zinc/92/93/57/1392929357.db2.gz KPPQPMGXYPFJIG-MRXNPFEDSA-N 2 2 339.483 3.348 20 0 EGADLP CCC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481140856 1393131478 /nfs/dbraw/zinc/13/14/78/1393131478.db2.gz XYFHOPDIEJFOCX-KRWDZBQOSA-N 2 2 348.535 3.100 20 0 EGADLP CCC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481140856 1393131479 /nfs/dbraw/zinc/13/14/79/1393131479.db2.gz XYFHOPDIEJFOCX-KRWDZBQOSA-N 2 2 348.535 3.100 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001481245520 1393152999 /nfs/dbraw/zinc/15/29/99/1393152999.db2.gz CHPNJZDKUJLZSL-HNNXBMFYSA-N 2 2 336.439 3.294 20 0 EGADLP CN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001481245895 1393153092 /nfs/dbraw/zinc/15/30/92/1393153092.db2.gz ISHNPBFQXXNMLY-IBGZPJMESA-N 2 2 348.450 3.302 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481534930 1394393900 /nfs/dbraw/zinc/39/39/00/1394393900.db2.gz OKYMEGCLDMHQGV-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481534930 1394393904 /nfs/dbraw/zinc/39/39/04/1394393904.db2.gz OKYMEGCLDMHQGV-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481534930 1394393908 /nfs/dbraw/zinc/39/39/08/1394393908.db2.gz OKYMEGCLDMHQGV-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481534930 1394393915 /nfs/dbraw/zinc/39/39/15/1394393915.db2.gz OKYMEGCLDMHQGV-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCC1CC[NH+](CCC2CCCC2)CC1 ZINC001482047438 1394709651 /nfs/dbraw/zinc/70/96/51/1394709651.db2.gz UZNZPXLNQMWCNA-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001482494690 1395046950 /nfs/dbraw/zinc/04/69/50/1395046950.db2.gz OUGHPKGZJVGUAO-WMZOPIPTSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001698989317 1406776859 /nfs/dbraw/zinc/77/68/59/1406776859.db2.gz JGWMTHULXHKVFS-SFHVURJKSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001698989317 1406776861 /nfs/dbraw/zinc/77/68/61/1406776861.db2.gz JGWMTHULXHKVFS-SFHVURJKSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001698989317 1406776864 /nfs/dbraw/zinc/77/68/64/1406776864.db2.gz JGWMTHULXHKVFS-SFHVURJKSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001698989317 1406776867 /nfs/dbraw/zinc/77/68/67/1406776867.db2.gz JGWMTHULXHKVFS-SFHVURJKSA-N 2 2 346.450 3.023 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)CCCC3CCC3)ccn12 ZINC001485304755 1395782966 /nfs/dbraw/zinc/78/29/66/1395782966.db2.gz ZSYZQXADDKNZLY-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)CCCC3CCC3)ccn12 ZINC001485304755 1395782967 /nfs/dbraw/zinc/78/29/67/1395782967.db2.gz ZSYZQXADDKNZLY-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690094880 1404296429 /nfs/dbraw/zinc/29/64/29/1404296429.db2.gz XAPWKTQWQWBQMP-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001690094880 1404296432 /nfs/dbraw/zinc/29/64/32/1404296432.db2.gz XAPWKTQWQWBQMP-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H](C)C[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001690163278 1404361791 /nfs/dbraw/zinc/36/17/91/1404361791.db2.gz ZOTTWKVXGZIPEM-DNVCBOLYSA-N 2 2 340.471 3.016 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001732425586 1428575940 /nfs/dbraw/zinc/57/59/40/1428575940.db2.gz HHPWGRRXTJNIMV-LBPRGKRZSA-N 2 2 342.468 3.183 20 0 EGADLP CC1CC(C[NH2+]CC(C)(C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001700443089 1414016442 /nfs/dbraw/zinc/01/64/42/1414016442.db2.gz SKVFONILZAVLQY-UHFFFAOYSA-N 2 2 342.487 3.297 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001700461487 1414061420 /nfs/dbraw/zinc/06/14/20/1414061420.db2.gz QBSKBAZYYFJUDC-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001700461487 1414061424 /nfs/dbraw/zinc/06/14/24/1414061424.db2.gz QBSKBAZYYFJUDC-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001700461487 1414061435 /nfs/dbraw/zinc/06/14/35/1414061435.db2.gz QBSKBAZYYFJUDC-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001700461487 1414061440 /nfs/dbraw/zinc/06/14/40/1414061440.db2.gz QBSKBAZYYFJUDC-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001700995367 1414643372 /nfs/dbraw/zinc/64/33/72/1414643372.db2.gz PCWDIVPSJFSDHM-DOTOQJQBSA-N 2 2 342.487 3.142 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713093955 1417641888 /nfs/dbraw/zinc/64/18/88/1417641888.db2.gz ASYHLKORDDIKBT-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713093955 1417641891 /nfs/dbraw/zinc/64/18/91/1417641891.db2.gz ASYHLKORDDIKBT-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CCCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC[NH+](C(C)C)CC1 ZINC001713099433 1417650390 /nfs/dbraw/zinc/65/03/90/1417650390.db2.gz POXDGKHUIYMJJX-UHFFFAOYSA-N 2 2 342.487 3.368 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CC(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001713840521 1418637610 /nfs/dbraw/zinc/63/76/10/1418637610.db2.gz XZYCFVGZMWCBIJ-MOPGFXCFSA-N 2 2 349.494 3.198 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004571 1418783387 /nfs/dbraw/zinc/78/33/87/1418783387.db2.gz UDFIHSHTYLWBMJ-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004571 1418783388 /nfs/dbraw/zinc/78/33/88/1418783388.db2.gz UDFIHSHTYLWBMJ-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004571 1418783390 /nfs/dbraw/zinc/78/33/90/1418783390.db2.gz UDFIHSHTYLWBMJ-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004571 1418783391 /nfs/dbraw/zinc/78/33/91/1418783391.db2.gz UDFIHSHTYLWBMJ-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001715047845 1419788590 /nfs/dbraw/zinc/78/85/90/1419788590.db2.gz SOCMPTKIMYPFPO-SFHVURJKSA-N 2 2 348.535 3.412 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001715047845 1419788597 /nfs/dbraw/zinc/78/85/97/1419788597.db2.gz SOCMPTKIMYPFPO-SFHVURJKSA-N 2 2 348.535 3.412 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[N@H+](C)CC3CCCCC3)ccn12 ZINC001715827525 1420359012 /nfs/dbraw/zinc/35/90/12/1420359012.db2.gz IJMMQRQVRONRHM-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[N@@H+](C)CC3CCCCC3)ccn12 ZINC001715827525 1420359016 /nfs/dbraw/zinc/35/90/16/1420359016.db2.gz IJMMQRQVRONRHM-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001715958048 1420424149 /nfs/dbraw/zinc/42/41/49/1420424149.db2.gz MQMKLICMROXHJC-SFHVURJKSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1ccc(C[N@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001715958048 1420424151 /nfs/dbraw/zinc/42/41/51/1420424151.db2.gz MQMKLICMROXHJC-SFHVURJKSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001716879390 1421004195 /nfs/dbraw/zinc/00/41/95/1421004195.db2.gz SQNPPPCKBKCYRA-HXUWFJFHSA-N 2 2 346.519 3.059 20 0 EGADLP CCC[NH2+][C@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001717115178 1421118994 /nfs/dbraw/zinc/11/89/94/1421118994.db2.gz KFSRCUNKBCAXBX-OAHLLOKOSA-N 2 2 336.439 3.325 20 0 EGADLP O=C(NCC[N@@H+](CCF)C1CCCCCC1)c1cccc2[nH+]ccn21 ZINC001723639385 1424502846 /nfs/dbraw/zinc/50/28/46/1424502846.db2.gz DUHKPXPSCPQYGR-UHFFFAOYSA-N 2 2 346.450 3.058 20 0 EGADLP O=C(NCC[N@H+](CCF)C1CCCCCC1)c1cccc2[nH+]ccn21 ZINC001723639385 1424502850 /nfs/dbraw/zinc/50/28/50/1424502850.db2.gz DUHKPXPSCPQYGR-UHFFFAOYSA-N 2 2 346.450 3.058 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001724857736 1425234295 /nfs/dbraw/zinc/23/42/95/1425234295.db2.gz NDRQMUKLCVLRQO-UHFFFAOYSA-N 2 2 342.487 3.056 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001724857736 1425234296 /nfs/dbraw/zinc/23/42/96/1425234296.db2.gz NDRQMUKLCVLRQO-UHFFFAOYSA-N 2 2 342.487 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001725195456 1425748069 /nfs/dbraw/zinc/74/80/69/1425748069.db2.gz NLHQUFGQWGOLKJ-OCCSQVGLSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001725195456 1425748077 /nfs/dbraw/zinc/74/80/77/1425748077.db2.gz NLHQUFGQWGOLKJ-OCCSQVGLSA-N 2 2 348.878 3.112 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731447014 1427424771 /nfs/dbraw/zinc/42/47/71/1427424771.db2.gz GDLCXEDJVRTTDQ-FVQBIDKESA-N 2 2 328.460 3.096 20 0 EGADLP CCc1cccc(C[NH2+][C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001731603090 1427646988 /nfs/dbraw/zinc/64/69/88/1427646988.db2.gz YLTJWQHZEYRGFF-CQSZACIVSA-N 2 2 336.439 3.033 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734335473 1438057672 /nfs/dbraw/zinc/05/76/72/1438057672.db2.gz WITSYOQBHKKMAI-HUUCEWRRSA-N 2 2 330.476 3.295 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)CCC2CCCCC2)c[nH+]1 ZINC001751997287 1440131807 /nfs/dbraw/zinc/13/18/07/1440131807.db2.gz GXAVINVYCLYVMU-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)CCC2CCCCC2)c[nH+]1 ZINC001751997287 1440131808 /nfs/dbraw/zinc/13/18/08/1440131808.db2.gz GXAVINVYCLYVMU-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001752818943 1440219474 /nfs/dbraw/zinc/21/94/74/1440219474.db2.gz MFOWKQDMSQEGAU-SFHVURJKSA-N 2 2 342.487 3.417 20 0 EGADLP CCCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001752818943 1440219475 /nfs/dbraw/zinc/21/94/75/1440219475.db2.gz MFOWKQDMSQEGAU-SFHVURJKSA-N 2 2 342.487 3.417 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001752827602 1440224423 /nfs/dbraw/zinc/22/44/23/1440224423.db2.gz LCVWHEGYCAUIPI-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001752827602 1440224424 /nfs/dbraw/zinc/22/44/24/1440224424.db2.gz LCVWHEGYCAUIPI-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001753027462 1440271768 /nfs/dbraw/zinc/27/17/68/1440271768.db2.gz LCPQOSAELMLCES-LJQANCHMSA-N 2 2 344.503 3.204 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001753027462 1440271769 /nfs/dbraw/zinc/27/17/69/1440271769.db2.gz LCPQOSAELMLCES-LJQANCHMSA-N 2 2 344.503 3.204 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001753027462 1440271770 /nfs/dbraw/zinc/27/17/70/1440271770.db2.gz LCPQOSAELMLCES-LJQANCHMSA-N 2 2 344.503 3.204 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001753027462 1440271771 /nfs/dbraw/zinc/27/17/71/1440271771.db2.gz LCPQOSAELMLCES-LJQANCHMSA-N 2 2 344.503 3.204 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001753213861 1440339424 /nfs/dbraw/zinc/33/94/24/1440339424.db2.gz ITFWGQVUHZUCPA-MRXNPFEDSA-N 2 2 325.456 3.430 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001753275680 1440346206 /nfs/dbraw/zinc/34/62/06/1440346206.db2.gz YSCBPRLKKDNGPP-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001753275680 1440346207 /nfs/dbraw/zinc/34/62/07/1440346207.db2.gz YSCBPRLKKDNGPP-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC(C)(C)C ZINC001753288299 1440349287 /nfs/dbraw/zinc/34/92/87/1440349287.db2.gz LIYSXTUHZKLCEB-KRWDZBQOSA-N 2 2 348.535 3.098 20 0 EGADLP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC(C)(C)C ZINC001753288299 1440349288 /nfs/dbraw/zinc/34/92/88/1440349288.db2.gz LIYSXTUHZKLCEB-KRWDZBQOSA-N 2 2 348.535 3.098 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001753561792 1440437044 /nfs/dbraw/zinc/43/70/44/1440437044.db2.gz ASLZWYUFLRGNGZ-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753635167 1440453100 /nfs/dbraw/zinc/45/31/00/1440453100.db2.gz YCJDAYUWJBLQNR-SJORKVTESA-N 2 2 346.519 3.147 20 0 EGADLP C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001753721504 1440473101 /nfs/dbraw/zinc/47/31/01/1440473101.db2.gz VGQDWURVHRMHDA-OAHLLOKOSA-N 2 2 334.508 3.094 20 0 EGADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001753810698 1440492676 /nfs/dbraw/zinc/49/26/76/1440492676.db2.gz BIOMIARKUNKPNR-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001753841051 1440502611 /nfs/dbraw/zinc/50/26/11/1440502611.db2.gz RPJWKWPBNIYCDD-IBGZPJMESA-N 2 2 342.487 3.006 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C=C\Cl)c(C)[nH+]1 ZINC001753890994 1440521997 /nfs/dbraw/zinc/52/19/97/1440521997.db2.gz GANSFNYISMIXCQ-BJYXUANLSA-N 2 2 335.879 3.247 20 0 EGADLP C[C@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC001754213616 1440551572 /nfs/dbraw/zinc/55/15/72/1440551572.db2.gz ZCXQSQKHYLBFJP-BDUNBXCCSA-N 2 2 348.450 3.060 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCC(C)(C)C)ccn12 ZINC001754312391 1440573849 /nfs/dbraw/zinc/57/38/49/1440573849.db2.gz ZYZMYOOKAKNKFE-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C)ccn12 ZINC001754312391 1440573850 /nfs/dbraw/zinc/57/38/50/1440573850.db2.gz ZYZMYOOKAKNKFE-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754612352 1440643942 /nfs/dbraw/zinc/64/39/42/1440643942.db2.gz QTHPAKCVZUGUFA-INIZCTEOSA-N 2 2 328.460 3.337 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001754874359 1440706190 /nfs/dbraw/zinc/70/61/90/1440706190.db2.gz UNIHWNIYQPTSKU-GBESFXJTSA-N 2 2 346.519 3.049 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001754874359 1440706191 /nfs/dbraw/zinc/70/61/91/1440706191.db2.gz UNIHWNIYQPTSKU-GBESFXJTSA-N 2 2 346.519 3.049 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001755025705 1440728557 /nfs/dbraw/zinc/72/85/57/1440728557.db2.gz ZORXTSWNWYKENI-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001755025705 1440728558 /nfs/dbraw/zinc/72/85/58/1440728558.db2.gz ZORXTSWNWYKENI-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001755025705 1440728559 /nfs/dbraw/zinc/72/85/59/1440728559.db2.gz ZORXTSWNWYKENI-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001755025705 1440728560 /nfs/dbraw/zinc/72/85/60/1440728560.db2.gz ZORXTSWNWYKENI-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029784 1440730756 /nfs/dbraw/zinc/73/07/56/1440730756.db2.gz QKKLRJYUDCZARE-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029784 1440730757 /nfs/dbraw/zinc/73/07/57/1440730757.db2.gz QKKLRJYUDCZARE-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029784 1440730758 /nfs/dbraw/zinc/73/07/58/1440730758.db2.gz QKKLRJYUDCZARE-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029784 1440730759 /nfs/dbraw/zinc/73/07/59/1440730759.db2.gz QKKLRJYUDCZARE-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165005 1440766723 /nfs/dbraw/zinc/76/67/23/1440766723.db2.gz CSLKWSXTUBMARS-WMZOPIPTSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165005 1440766724 /nfs/dbraw/zinc/76/67/24/1440766724.db2.gz CSLKWSXTUBMARS-WMZOPIPTSA-N 2 2 334.508 3.069 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001755610823 1440887048 /nfs/dbraw/zinc/88/70/48/1440887048.db2.gz JFDINYPRWDGGEL-BBRMVZONSA-N 2 2 348.878 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001755705005 1440902341 /nfs/dbraw/zinc/90/23/41/1440902341.db2.gz SVRPAPDOLJXMAX-QUCCMNQESA-N 2 2 346.519 3.213 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001755705005 1440902342 /nfs/dbraw/zinc/90/23/42/1440902342.db2.gz SVRPAPDOLJXMAX-QUCCMNQESA-N 2 2 346.519 3.213 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001755718607 1440906234 /nfs/dbraw/zinc/90/62/34/1440906234.db2.gz NNIIHPZLPRTEJU-AEFFLSMTSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001755718607 1440906235 /nfs/dbraw/zinc/90/62/35/1440906235.db2.gz NNIIHPZLPRTEJU-AEFFLSMTSA-N 2 2 342.487 3.416 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736660 1440911068 /nfs/dbraw/zinc/91/10/68/1440911068.db2.gz YTBQKLVSXHIATJ-QZTJIDSGSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001755736660 1440911069 /nfs/dbraw/zinc/91/10/69/1440911069.db2.gz YTBQKLVSXHIATJ-QZTJIDSGSA-N 2 2 346.519 3.187 20 0 EGADLP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737841 1440911243 /nfs/dbraw/zinc/91/12/43/1440911243.db2.gz NSQNKDBSBPAQLI-HOCLYGCPSA-N 2 2 328.460 3.241 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1NC1CC1 ZINC001165047128 721964701 /nfs/dbraw/zinc/96/47/01/721964701.db2.gz RVRVBHCXAIUONM-KRWDZBQOSA-N 2 2 329.492 3.204 20 0 EGADLP c1cc(N2CCCCC2)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165050429 721973091 /nfs/dbraw/zinc/97/30/91/721973091.db2.gz XRAZQAFFAIONNH-GOSISDBHSA-N 2 2 343.519 3.312 20 0 EGADLP C[N@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)Cc1ccccc1 ZINC000187817927 529917863 /nfs/dbraw/zinc/91/78/63/529917863.db2.gz YKNCDVCOIHYKLE-IBGZPJMESA-N 2 2 338.430 3.360 20 0 EGADLP C[N@@H+](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)Cc1ccccc1 ZINC000187817927 529917864 /nfs/dbraw/zinc/91/78/64/529917864.db2.gz YKNCDVCOIHYKLE-IBGZPJMESA-N 2 2 338.430 3.360 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000037249280 201928027 /nfs/dbraw/zinc/92/80/27/201928027.db2.gz XXAYAPLEWBMWOA-LBPRGKRZSA-N 2 2 338.249 3.395 20 0 EGADLP Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515286 235120060 /nfs/dbraw/zinc/12/00/60/235120060.db2.gz HCACYEGNDYSXEI-HOCLYGCPSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515286 235120064 /nfs/dbraw/zinc/12/00/64/235120064.db2.gz HCACYEGNDYSXEI-HOCLYGCPSA-N 2 2 330.476 3.473 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011369 283151228 /nfs/dbraw/zinc/15/12/28/283151228.db2.gz WRCKVCWWXHWSEN-KXBFYZLASA-N 2 2 333.907 3.466 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011369 283151233 /nfs/dbraw/zinc/15/12/33/283151233.db2.gz WRCKVCWWXHWSEN-KXBFYZLASA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011369 283151237 /nfs/dbraw/zinc/15/12/37/283151237.db2.gz WRCKVCWWXHWSEN-KXBFYZLASA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011369 283151242 /nfs/dbraw/zinc/15/12/42/283151242.db2.gz WRCKVCWWXHWSEN-KXBFYZLASA-N 2 2 333.907 3.466 20 0 EGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000187902406 236333569 /nfs/dbraw/zinc/33/35/69/236333569.db2.gz RFMGIKPPXQQEHY-HOTGVXAUSA-N 2 2 330.501 3.409 20 0 EGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187902406 236333572 /nfs/dbraw/zinc/33/35/72/236333572.db2.gz RFMGIKPPXQQEHY-HOTGVXAUSA-N 2 2 330.501 3.409 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000119952237 299294130 /nfs/dbraw/zinc/29/41/30/299294130.db2.gz WCAOQADKHWJKOJ-XHSDSOJGSA-N 2 2 337.483 3.042 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000119952237 299294133 /nfs/dbraw/zinc/29/41/33/299294133.db2.gz WCAOQADKHWJKOJ-XHSDSOJGSA-N 2 2 337.483 3.042 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3F)C[C@@H]21 ZINC000230045510 201043802 /nfs/dbraw/zinc/04/38/02/201043802.db2.gz FKDHNUZZVUFWEZ-VZJVUDMVSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3F)C[C@@H]21 ZINC000230045510 201043804 /nfs/dbraw/zinc/04/38/04/201043804.db2.gz FKDHNUZZVUFWEZ-VZJVUDMVSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970471 201147853 /nfs/dbraw/zinc/14/78/53/201147853.db2.gz SOPHBIZYYYDMQS-UTKZUKDTSA-N 2 2 340.467 3.334 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970471 201147857 /nfs/dbraw/zinc/14/78/57/201147857.db2.gz SOPHBIZYYYDMQS-UTKZUKDTSA-N 2 2 340.467 3.334 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970457 201148068 /nfs/dbraw/zinc/14/80/68/201148068.db2.gz SOPHBIZYYYDMQS-UWJYYQICSA-N 2 2 340.467 3.334 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970457 201148071 /nfs/dbraw/zinc/14/80/71/201148071.db2.gz SOPHBIZYYYDMQS-UWJYYQICSA-N 2 2 340.467 3.334 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000290238295 201334448 /nfs/dbraw/zinc/33/44/48/201334448.db2.gz ZDXRFOAUFYUWSG-IBGZPJMESA-N 2 2 341.503 3.249 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nn1 ZINC000290238295 201334450 /nfs/dbraw/zinc/33/44/50/201334450.db2.gz ZDXRFOAUFYUWSG-IBGZPJMESA-N 2 2 341.503 3.249 20 0 EGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000191638456 239228422 /nfs/dbraw/zinc/22/84/22/239228422.db2.gz PKEIXCCTFNAILZ-FQEVSTJZSA-N 2 2 337.467 3.419 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246346699 243235289 /nfs/dbraw/zinc/23/52/89/243235289.db2.gz IRAULVLDMIFSLL-RYUDHWBXSA-N 2 2 344.286 3.204 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246346699 243235291 /nfs/dbraw/zinc/23/52/91/243235291.db2.gz IRAULVLDMIFSLL-RYUDHWBXSA-N 2 2 344.286 3.204 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000069587470 203023987 /nfs/dbraw/zinc/02/39/87/203023987.db2.gz YSBIGHULZKSFAA-UHFFFAOYSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000069587470 203023992 /nfs/dbraw/zinc/02/39/92/203023992.db2.gz YSBIGHULZKSFAA-UHFFFAOYSA-N 2 2 332.467 3.500 20 0 EGADLP CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000069561586 203018303 /nfs/dbraw/zinc/01/83/03/203018303.db2.gz WKEAMZNFIWZKKG-UHFFFAOYSA-N 2 2 346.434 3.389 20 0 EGADLP CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000069561586 203018306 /nfs/dbraw/zinc/01/83/06/203018306.db2.gz WKEAMZNFIWZKKG-UHFFFAOYSA-N 2 2 346.434 3.389 20 0 EGADLP Cc1oc(-c2ccccc2)nc1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000075141174 203306856 /nfs/dbraw/zinc/30/68/56/203306856.db2.gz WSLGMWDORUGXAH-UHFFFAOYSA-N 2 2 345.362 3.483 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000108367955 204258468 /nfs/dbraw/zinc/25/84/68/204258468.db2.gz BPDQXHVMNNNKQD-UHFFFAOYSA-N 2 2 331.504 3.035 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000109786969 204291131 /nfs/dbraw/zinc/29/11/31/204291131.db2.gz ZRSXSURHBLRAMH-MRXNPFEDSA-N 2 2 349.494 3.151 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000109786969 204291137 /nfs/dbraw/zinc/29/11/37/204291137.db2.gz ZRSXSURHBLRAMH-MRXNPFEDSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000109792640 204292993 /nfs/dbraw/zinc/29/29/93/204292993.db2.gz WAIHUKIRYWCHLC-CQSZACIVSA-N 2 2 346.862 3.051 20 0 EGADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(Cl)cc1 ZINC000109792352 204293125 /nfs/dbraw/zinc/29/31/25/204293125.db2.gz LTEPENOCNVVKQD-UHFFFAOYSA-N 2 2 332.835 3.202 20 0 EGADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1Cl ZINC000109792637 204293858 /nfs/dbraw/zinc/29/38/58/204293858.db2.gz WAIHUKIRYWCHLC-AWEZNQCLSA-N 2 2 346.862 3.051 20 0 EGADLP Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CCCn2cc[nH+]c2C)o1 ZINC000127309771 205095375 /nfs/dbraw/zinc/09/53/75/205095375.db2.gz ZHMSBRDXTOQPLE-GOSISDBHSA-N 2 2 337.427 3.073 20 0 EGADLP Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CCCn2cc[nH+]c2C)o1 ZINC000127309771 205095379 /nfs/dbraw/zinc/09/53/79/205095379.db2.gz ZHMSBRDXTOQPLE-GOSISDBHSA-N 2 2 337.427 3.073 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000127361098 205097872 /nfs/dbraw/zinc/09/78/72/205097872.db2.gz NJQVYELYIBPUKT-LBPRGKRZSA-N 2 2 338.249 3.080 20 0 EGADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC000151161295 205617694 /nfs/dbraw/zinc/61/76/94/205617694.db2.gz NWABEAOQRSUQPP-HNNXBMFYSA-N 2 2 325.334 3.449 20 0 EGADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC(C)(C)[NH+](C)C ZINC000152586969 205762676 /nfs/dbraw/zinc/76/26/76/205762676.db2.gz QJYXXMLAZHPKBV-CQSZACIVSA-N 2 2 339.911 3.007 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157247109 206124909 /nfs/dbraw/zinc/12/49/09/206124909.db2.gz NMAWQBSWRSQZIF-MSOLQXFVSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157247109 206124912 /nfs/dbraw/zinc/12/49/12/206124912.db2.gz NMAWQBSWRSQZIF-MSOLQXFVSA-N 2 2 329.488 3.272 20 0 EGADLP Cn1cc(CCC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000158250753 206181696 /nfs/dbraw/zinc/18/16/96/206181696.db2.gz MKGZYKMCVIBAQC-UHFFFAOYSA-N 2 2 346.906 3.260 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918289 247042824 /nfs/dbraw/zinc/04/28/24/247042824.db2.gz QIKDYDGNCQDDDR-RTBURBONSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918289 247042830 /nfs/dbraw/zinc/04/28/30/247042830.db2.gz QIKDYDGNCQDDDR-RTBURBONSA-N 2 2 337.423 3.231 20 0 EGADLP c1ccc(-c2noc(CC[NH+]3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000265016497 247137827 /nfs/dbraw/zinc/13/78/27/247137827.db2.gz BTDXAJPSGMLGGX-UHFFFAOYSA-N 2 2 340.471 3.229 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2nccn2CCCc2ccccc2)CC1 ZINC000164319676 206490532 /nfs/dbraw/zinc/49/05/32/206490532.db2.gz BXZUOTFFPDMPIU-UHFFFAOYSA-N 2 2 340.515 3.480 20 0 EGADLP Cc1ccoc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000266217953 248181430 /nfs/dbraw/zinc/18/14/30/248181430.db2.gz QNNYYYLWPVOROV-OAHLLOKOSA-N 2 2 331.435 3.330 20 0 EGADLP C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654342 169055538 /nfs/dbraw/zinc/05/55/38/169055538.db2.gz TXJVTPWEYUQNPW-HZPDHXFCSA-N 2 2 337.533 3.284 20 0 EGADLP C[C@@H](O)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000377654342 169055540 /nfs/dbraw/zinc/05/55/40/169055540.db2.gz TXJVTPWEYUQNPW-HZPDHXFCSA-N 2 2 337.533 3.284 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166011 169079355 /nfs/dbraw/zinc/07/93/55/169079355.db2.gz NEHFTTUYXBUHBK-MJBXVCDLSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166011 169079357 /nfs/dbraw/zinc/07/93/57/169079357.db2.gz NEHFTTUYXBUHBK-MJBXVCDLSA-N 2 2 344.377 3.099 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367588 169109254 /nfs/dbraw/zinc/10/92/54/169109254.db2.gz DMLABODLWBUCCH-VNQPRFMTSA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(C(C)(C)C)s1 ZINC000378367588 169109256 /nfs/dbraw/zinc/10/92/56/169109256.db2.gz DMLABODLWBUCCH-VNQPRFMTSA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366564 169108115 /nfs/dbraw/zinc/10/81/15/169108115.db2.gz BCTLRWBYOGATRG-COXVUDFISA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366564 169108116 /nfs/dbraw/zinc/10/81/16/169108116.db2.gz BCTLRWBYOGATRG-COXVUDFISA-N 2 2 326.843 3.163 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000378614767 169147113 /nfs/dbraw/zinc/14/71/13/169147113.db2.gz FBUAGLHTPTXMAP-AWEZNQCLSA-N 2 2 335.411 3.077 20 0 EGADLP Cc1nc(-c2cc3c(s2)CC[N@H+](CCn2cc[nH+]c2)C3)cs1 ZINC000093259761 218208104 /nfs/dbraw/zinc/20/81/04/218208104.db2.gz HCPWSHAVXVICDN-UHFFFAOYSA-N 2 2 330.482 3.435 20 0 EGADLP Cc1nc(-c2cc3c(s2)CC[N@@H+](CCn2cc[nH+]c2)C3)cs1 ZINC000093259761 218208107 /nfs/dbraw/zinc/20/81/07/218208107.db2.gz HCPWSHAVXVICDN-UHFFFAOYSA-N 2 2 330.482 3.435 20 0 EGADLP OCCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCc2ccccc21 ZINC000177165825 207301561 /nfs/dbraw/zinc/30/15/61/207301561.db2.gz XGACJJUWPXOBRL-FQEVSTJZSA-N 2 2 348.450 3.139 20 0 EGADLP OCCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCc2ccccc21 ZINC000177165825 207301566 /nfs/dbraw/zinc/30/15/66/207301566.db2.gz XGACJJUWPXOBRL-FQEVSTJZSA-N 2 2 348.450 3.139 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)nnn1-c1ccc(F)cc1 ZINC000268743452 252193434 /nfs/dbraw/zinc/19/34/34/252193434.db2.gz DUSAYULYUSAOSX-CQSZACIVSA-N 2 2 333.455 3.096 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)nnn1-c1ccc(F)cc1 ZINC000268743452 252193438 /nfs/dbraw/zinc/19/34/38/252193438.db2.gz DUSAYULYUSAOSX-CQSZACIVSA-N 2 2 333.455 3.096 20 0 EGADLP COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268746531 252197479 /nfs/dbraw/zinc/19/74/79/252197479.db2.gz HWUYZFDWKJJBJU-QRWLVFNGSA-N 2 2 337.423 3.265 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccnc1Cl ZINC000268748993 252200787 /nfs/dbraw/zinc/20/07/87/252200787.db2.gz BTOCPTVOJXKSAG-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818480 252269277 /nfs/dbraw/zinc/26/92/77/252269277.db2.gz GVQSIOKVHNQEPM-AEFFLSMTSA-N 2 2 341.503 3.267 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818480 252269280 /nfs/dbraw/zinc/26/92/80/252269280.db2.gz GVQSIOKVHNQEPM-AEFFLSMTSA-N 2 2 341.503 3.267 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268820693 252270888 /nfs/dbraw/zinc/27/08/88/252270888.db2.gz HMWQSQZSDZNSDL-GUMYABAYSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268820693 252270889 /nfs/dbraw/zinc/27/08/89/252270889.db2.gz HMWQSQZSDZNSDL-GUMYABAYSA-N 2 2 336.479 3.287 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000268814888 252265465 /nfs/dbraw/zinc/26/54/65/252265465.db2.gz FTOLJAALZCOGPW-YOEHRIQHSA-N 2 2 345.512 3.226 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268862634 252311239 /nfs/dbraw/zinc/31/12/39/252311239.db2.gz SGDQJGRIGAYOSM-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268862634 252311247 /nfs/dbraw/zinc/31/12/47/252311247.db2.gz SGDQJGRIGAYOSM-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1Cl ZINC000268859567 252309060 /nfs/dbraw/zinc/30/90/60/252309060.db2.gz RQQBPDANDXMVCE-GFCCVEGCSA-N 2 2 331.287 3.491 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000268783766 285014158 /nfs/dbraw/zinc/01/41/58/285014158.db2.gz BTEZSDFUYFFGJD-WFASDCNBSA-N 2 2 326.531 3.374 20 0 EGADLP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261770158 299625250 /nfs/dbraw/zinc/62/52/50/299625250.db2.gz VWGCSILMYCVGCN-OCCSQVGLSA-N 2 2 328.287 3.034 20 0 EGADLP CCN(C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246841690 141037963 /nfs/dbraw/zinc/03/79/63/141037963.db2.gz KABXDXOSBQEWDD-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246841690 141037964 /nfs/dbraw/zinc/03/79/64/141037964.db2.gz KABXDXOSBQEWDD-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246841690 141037965 /nfs/dbraw/zinc/03/79/65/141037965.db2.gz KABXDXOSBQEWDD-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246841690 141037966 /nfs/dbraw/zinc/03/79/66/141037966.db2.gz KABXDXOSBQEWDD-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)sc1C ZINC000246870242 141040935 /nfs/dbraw/zinc/04/09/35/141040935.db2.gz CYIAEWHGUYITDR-RDTXWAMCSA-N 2 2 344.528 3.198 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)sc1C ZINC000246870242 141040936 /nfs/dbraw/zinc/04/09/36/141040936.db2.gz CYIAEWHGUYITDR-RDTXWAMCSA-N 2 2 344.528 3.198 20 0 EGADLP CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542641 141128292 /nfs/dbraw/zinc/12/82/92/141128292.db2.gz GXHQYJCIIWTHLG-PGRDOPGGSA-N 2 2 338.495 3.189 20 0 EGADLP CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542641 141128294 /nfs/dbraw/zinc/12/82/94/141128294.db2.gz GXHQYJCIIWTHLG-PGRDOPGGSA-N 2 2 338.495 3.189 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000341261689 141146801 /nfs/dbraw/zinc/14/68/01/141146801.db2.gz QGLOXJWNGXKTHT-SNVBAGLBSA-N 2 2 329.297 3.025 20 0 EGADLP COc1ccc([C@@H](CN(C)C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000342847235 141152557 /nfs/dbraw/zinc/15/25/57/141152557.db2.gz KSDFZNSOLKACDH-HXUWFJFHSA-N 2 2 327.472 3.224 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344516014 141168078 /nfs/dbraw/zinc/16/80/78/141168078.db2.gz FDZOHEOSIIMHGU-BSIFCXSSSA-N 2 2 340.467 3.130 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344516014 141168080 /nfs/dbraw/zinc/16/80/80/141168080.db2.gz FDZOHEOSIIMHGU-BSIFCXSSSA-N 2 2 340.467 3.130 20 0 EGADLP COc1cc(C[N@H+](CCn2cc[nH+]c2)C2CC2)ccc1OC(F)F ZINC000346225847 141184738 /nfs/dbraw/zinc/18/47/38/141184738.db2.gz ALHWQRMHSYPMST-UHFFFAOYSA-N 2 2 337.370 3.158 20 0 EGADLP COc1cc(C[N@@H+](CCn2cc[nH+]c2)C2CC2)ccc1OC(F)F ZINC000346225847 141184739 /nfs/dbraw/zinc/18/47/39/141184739.db2.gz ALHWQRMHSYPMST-UHFFFAOYSA-N 2 2 337.370 3.158 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC[C@@H]2CCC[NH+]2C)cn1 ZINC000348166490 141242790 /nfs/dbraw/zinc/24/27/90/141242790.db2.gz BZKJNKDLLNAVCZ-OALUTQOASA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cn1 ZINC000348166490 141242791 /nfs/dbraw/zinc/24/27/91/141242791.db2.gz BZKJNKDLLNAVCZ-OALUTQOASA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000348166490 141242792 /nfs/dbraw/zinc/24/27/92/141242792.db2.gz BZKJNKDLLNAVCZ-OALUTQOASA-N 2 2 330.451 3.065 20 0 EGADLP Cn1cc([C@H](c2cccc(F)c2)[NH+](C)CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000348166490 141242793 /nfs/dbraw/zinc/24/27/93/141242793.db2.gz BZKJNKDLLNAVCZ-OALUTQOASA-N 2 2 330.451 3.065 20 0 EGADLP Fc1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)CCO2)cc1 ZINC000350549026 141252441 /nfs/dbraw/zinc/25/24/41/141252441.db2.gz ASUWLHSDYHGJBM-FUHWJXTLSA-N 2 2 325.387 3.483 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352967096 141279334 /nfs/dbraw/zinc/27/93/34/141279334.db2.gz KSVRLHOIGDXVRB-ZETOZRRWSA-N 2 2 344.425 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352967096 141279335 /nfs/dbraw/zinc/27/93/35/141279335.db2.gz KSVRLHOIGDXVRB-ZETOZRRWSA-N 2 2 344.425 3.196 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000352974960 141281204 /nfs/dbraw/zinc/28/12/04/141281204.db2.gz SDNNKTYAUZXOME-CALCHBBNSA-N 2 2 335.923 3.330 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000352974960 141281207 /nfs/dbraw/zinc/28/12/07/141281207.db2.gz SDNNKTYAUZXOME-CALCHBBNSA-N 2 2 335.923 3.330 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCN2CCCCC2=O)C[N@@H+]1Cc1ccccc1 ZINC000677805104 549334486 /nfs/dbraw/zinc/33/44/86/549334486.db2.gz KLYPZUSBWDDINO-IBGZPJMESA-N 2 2 343.515 3.032 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCN2CCCCC2=O)C[N@H+]1Cc1ccccc1 ZINC000677805104 549334490 /nfs/dbraw/zinc/33/44/90/549334490.db2.gz KLYPZUSBWDDINO-IBGZPJMESA-N 2 2 343.515 3.032 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000353472452 141304202 /nfs/dbraw/zinc/30/42/02/141304202.db2.gz PNBLDVUONVXWBJ-UHFFFAOYSA-N 2 2 326.488 3.339 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592612 141381011 /nfs/dbraw/zinc/38/10/11/141381011.db2.gz NZZLYGDFALFPOE-AZUAARDMSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592612 141381012 /nfs/dbraw/zinc/38/10/12/141381012.db2.gz NZZLYGDFALFPOE-AZUAARDMSA-N 3 2 344.547 3.146 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000359626500 141390637 /nfs/dbraw/zinc/39/06/37/141390637.db2.gz AHIXYFPRUMWMRI-INIZCTEOSA-N 2 2 341.503 3.409 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187248403 144155590 /nfs/dbraw/zinc/15/55/90/144155590.db2.gz ASVOUHPCWCVWEA-SFHVURJKSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187248403 144155591 /nfs/dbraw/zinc/15/55/91/144155591.db2.gz ASVOUHPCWCVWEA-SFHVURJKSA-N 2 2 335.398 3.323 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@@H+]1C ZINC000344680341 144208838 /nfs/dbraw/zinc/20/88/38/144208838.db2.gz NFZJZFWCXJHETP-WCQYABFASA-N 2 2 340.393 3.164 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@H+]1C ZINC000344680341 144208839 /nfs/dbraw/zinc/20/88/39/144208839.db2.gz NFZJZFWCXJHETP-WCQYABFASA-N 2 2 340.393 3.164 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265242 /nfs/dbraw/zinc/26/52/42/144265242.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 2 336.479 3.384 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265244 /nfs/dbraw/zinc/26/52/44/144265244.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 2 336.479 3.384 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265247 /nfs/dbraw/zinc/26/52/47/144265247.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 2 336.479 3.384 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1)C1CC1 ZINC000351440954 144265249 /nfs/dbraw/zinc/26/52/49/144265249.db2.gz JCSMMQWMHTYMEO-HXUWFJFHSA-N 2 2 336.479 3.384 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c[nH+]1 ZINC000351470274 144265790 /nfs/dbraw/zinc/26/57/90/144265790.db2.gz BJPDXUMHPONSDE-SFHVURJKSA-N 2 2 335.455 3.245 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c[nH+]1 ZINC000351470274 144265793 /nfs/dbraw/zinc/26/57/93/144265793.db2.gz BJPDXUMHPONSDE-SFHVURJKSA-N 2 2 335.455 3.245 20 0 EGADLP CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccn1 ZINC000351866596 144317833 /nfs/dbraw/zinc/31/78/33/144317833.db2.gz AYNAVEAJYZPARV-UHFFFAOYSA-N 2 2 338.499 3.116 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccn1 ZINC000351866596 144317834 /nfs/dbraw/zinc/31/78/34/144317834.db2.gz AYNAVEAJYZPARV-UHFFFAOYSA-N 2 2 338.499 3.116 20 0 EGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000363779844 144365832 /nfs/dbraw/zinc/36/58/32/144365832.db2.gz FAUQRENQESAFCL-SOUVJXGZSA-N 2 2 340.414 3.110 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000364066003 144389054 /nfs/dbraw/zinc/38/90/54/144389054.db2.gz LSQVXGAEFDAWLJ-RCOXNQKVSA-N 2 2 328.500 3.302 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000364066003 144389055 /nfs/dbraw/zinc/38/90/55/144389055.db2.gz LSQVXGAEFDAWLJ-RCOXNQKVSA-N 2 2 328.500 3.302 20 0 EGADLP Cc1c[nH+]c(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000341346731 155246281 /nfs/dbraw/zinc/24/62/81/155246281.db2.gz GFZNRFDQEYCECE-SFHVURJKSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1c[nH+]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1C ZINC000341346731 155246284 /nfs/dbraw/zinc/24/62/84/155246284.db2.gz GFZNRFDQEYCECE-SFHVURJKSA-N 2 2 326.488 3.119 20 0 EGADLP CC[NH+]1CCC(NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)CC1 ZINC000115321441 152006535 /nfs/dbraw/zinc/00/65/35/152006535.db2.gz MKPLDYLNIIHUCN-UHFFFAOYSA-N 2 2 339.439 3.396 20 0 EGADLP COc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000119868927 152234340 /nfs/dbraw/zinc/23/43/40/152234340.db2.gz CCCJBDKMDYYLDE-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CCCc1nc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cs1 ZINC000187024331 153007072 /nfs/dbraw/zinc/00/70/72/153007072.db2.gz UIXLVPTUNPKABC-DOTOQJQBSA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1nc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)cs1 ZINC000187024331 153007075 /nfs/dbraw/zinc/00/70/75/153007075.db2.gz UIXLVPTUNPKABC-DOTOQJQBSA-N 2 2 339.549 3.322 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000192080982 153240072 /nfs/dbraw/zinc/24/00/72/153240072.db2.gz LSCNFXPERUMPHK-UHFFFAOYSA-N 2 2 348.450 3.058 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000192122973 153243001 /nfs/dbraw/zinc/24/30/01/153243001.db2.gz MDWJQLSFUDPBEE-LJQANCHMSA-N 2 2 335.455 3.424 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000192122973 153243004 /nfs/dbraw/zinc/24/30/04/153243004.db2.gz MDWJQLSFUDPBEE-LJQANCHMSA-N 2 2 335.455 3.424 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285621 154142000 /nfs/dbraw/zinc/14/20/00/154142000.db2.gz QMBJZFCEKOOBNM-IEBWSBKVSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285621 154142004 /nfs/dbraw/zinc/14/20/04/154142004.db2.gz QMBJZFCEKOOBNM-IEBWSBKVSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000310296248 154143296 /nfs/dbraw/zinc/14/32/96/154143296.db2.gz OXKYSEPNDSQBMT-HNNXBMFYSA-N 2 2 343.437 3.123 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000310296248 154143298 /nfs/dbraw/zinc/14/32/98/154143298.db2.gz OXKYSEPNDSQBMT-HNNXBMFYSA-N 2 2 343.437 3.123 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777983 154164911 /nfs/dbraw/zinc/16/49/11/154164911.db2.gz LYUXKMAMFPCJNY-VBNZEHGJSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777983 154164913 /nfs/dbraw/zinc/16/49/13/154164913.db2.gz LYUXKMAMFPCJNY-VBNZEHGJSA-N 2 2 328.378 3.219 20 0 EGADLP CCOc1cc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)ccc1O ZINC000336713974 154211937 /nfs/dbraw/zinc/21/19/37/154211937.db2.gz OUBLAXPJXPYMCJ-MRXNPFEDSA-N 2 2 328.456 3.401 20 0 EGADLP CCOc1cc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1O ZINC000336713974 154211940 /nfs/dbraw/zinc/21/19/40/154211940.db2.gz OUBLAXPJXPYMCJ-MRXNPFEDSA-N 2 2 328.456 3.401 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1OC ZINC000337380571 154320875 /nfs/dbraw/zinc/32/08/75/154320875.db2.gz JACDYGAKDPUZFB-HZPDHXFCSA-N 2 2 343.471 3.307 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc2cccnc12 ZINC000337387701 154326773 /nfs/dbraw/zinc/32/67/73/154326773.db2.gz FBLDROCIAXPIAZ-GOSISDBHSA-N 2 2 339.483 3.087 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc2cccnc12 ZINC000337387701 154326776 /nfs/dbraw/zinc/32/67/76/154326776.db2.gz FBLDROCIAXPIAZ-GOSISDBHSA-N 2 2 339.483 3.087 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@H+]2CC=C(C)CC2)cc1OC ZINC000337391930 154329376 /nfs/dbraw/zinc/32/93/76/154329376.db2.gz HVLVFQRNRUELEN-KRWDZBQOSA-N 2 2 332.488 3.185 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1OC ZINC000337391930 154329377 /nfs/dbraw/zinc/32/93/77/154329377.db2.gz HVLVFQRNRUELEN-KRWDZBQOSA-N 2 2 332.488 3.185 20 0 EGADLP C[C@H](CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442892 154355250 /nfs/dbraw/zinc/35/52/50/154355250.db2.gz GUUALHNDTLPCQS-CTNGQTDRSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@H](CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442892 154355256 /nfs/dbraw/zinc/35/52/56/154355256.db2.gz GUUALHNDTLPCQS-CTNGQTDRSA-N 2 2 346.515 3.026 20 0 EGADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000337507460 154388342 /nfs/dbraw/zinc/38/83/42/154388342.db2.gz PTCHGMDEKOGKRA-INIZCTEOSA-N 2 2 327.472 3.446 20 0 EGADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000337507460 154388349 /nfs/dbraw/zinc/38/83/49/154388349.db2.gz PTCHGMDEKOGKRA-INIZCTEOSA-N 2 2 327.472 3.446 20 0 EGADLP FC(F)O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000337527801 154398883 /nfs/dbraw/zinc/39/88/83/154398883.db2.gz BNJDTQUYXICYGV-SJORKVTESA-N 2 2 339.430 3.186 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346823568 156152863 /nfs/dbraw/zinc/15/28/63/156152863.db2.gz HGCJVZZYHXIKBU-DSKINZAPSA-N 2 2 342.483 3.337 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000346823568 156152867 /nfs/dbraw/zinc/15/28/67/156152867.db2.gz HGCJVZZYHXIKBU-DSKINZAPSA-N 2 2 342.483 3.337 20 0 EGADLP CC(C)n1cc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000346950679 156211406 /nfs/dbraw/zinc/21/14/06/156211406.db2.gz TXCLDYVIDWJKDL-YJBOKZPZSA-N 2 2 342.491 3.172 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000362083245 157013374 /nfs/dbraw/zinc/01/33/74/157013374.db2.gz NIQDXITYZBACGP-UHFFFAOYSA-N 2 2 339.349 3.071 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401988 157113485 /nfs/dbraw/zinc/11/34/85/157113485.db2.gz HXHYNGGXTUQXDD-RTBURBONSA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401988 157113487 /nfs/dbraw/zinc/11/34/87/157113487.db2.gz HXHYNGGXTUQXDD-RTBURBONSA-N 2 2 331.504 3.060 20 0 EGADLP CCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365500685 157147494 /nfs/dbraw/zinc/14/74/94/157147494.db2.gz DEAIUMGBGAMLSS-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365500685 157147496 /nfs/dbraw/zinc/14/74/96/157147496.db2.gz DEAIUMGBGAMLSS-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000365634387 157199295 /nfs/dbraw/zinc/19/92/95/157199295.db2.gz YLWWFEVEFYCIBZ-LJQANCHMSA-N 2 2 327.472 3.249 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000365634387 157199297 /nfs/dbraw/zinc/19/92/97/157199297.db2.gz YLWWFEVEFYCIBZ-LJQANCHMSA-N 2 2 327.472 3.249 20 0 EGADLP CN(Cc1ccc(Cl)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372557164 157355038 /nfs/dbraw/zinc/35/50/38/157355038.db2.gz ZEDWJCVDPKQLBF-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1ccc(Cl)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372557164 157355041 /nfs/dbraw/zinc/35/50/41/157355041.db2.gz ZEDWJCVDPKQLBF-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1ccc(Cl)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372557164 157355045 /nfs/dbraw/zinc/35/50/45/157355045.db2.gz ZEDWJCVDPKQLBF-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372557164 157355047 /nfs/dbraw/zinc/35/50/47/157355047.db2.gz ZEDWJCVDPKQLBF-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683846 162022081 /nfs/dbraw/zinc/02/20/81/162022081.db2.gz UIZTVQNAMFHJJG-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000093683846 162022084 /nfs/dbraw/zinc/02/20/84/162022084.db2.gz UIZTVQNAMFHJJG-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)OCCCO2 ZINC000093683371 162023599 /nfs/dbraw/zinc/02/35/99/162023599.db2.gz DRKIBIXUIGNGRR-KRWDZBQOSA-N 2 2 330.472 3.156 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)OCCCO2 ZINC000093683371 162023602 /nfs/dbraw/zinc/02/36/02/162023602.db2.gz DRKIBIXUIGNGRR-KRWDZBQOSA-N 2 2 330.472 3.156 20 0 EGADLP O=C(NCC[NH+]1CCCCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112211772 162166616 /nfs/dbraw/zinc/16/66/16/162166616.db2.gz VOSIRMLJBIYQKO-UHFFFAOYSA-N 2 2 340.427 3.481 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000130659248 162375498 /nfs/dbraw/zinc/37/54/98/162375498.db2.gz KDULCNCKKBVQDX-QGZVFWFLSA-N 2 2 345.450 3.472 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCS[C@@H](C(C)C)C3)c2cc1C ZINC000336878343 163085835 /nfs/dbraw/zinc/08/58/35/163085835.db2.gz DIZAOSBFGOMMDF-VQIMIIECSA-N 2 2 347.528 3.087 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCS[C@@H](C(C)C)C3)c2cc1C ZINC000336878343 163085838 /nfs/dbraw/zinc/08/58/38/163085838.db2.gz DIZAOSBFGOMMDF-VQIMIIECSA-N 2 2 347.528 3.087 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000337066374 163119977 /nfs/dbraw/zinc/11/99/77/163119977.db2.gz KCEHGRNRGONYRB-RTBURBONSA-N 2 2 348.450 3.096 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000337066374 163119980 /nfs/dbraw/zinc/11/99/80/163119980.db2.gz KCEHGRNRGONYRB-RTBURBONSA-N 2 2 348.450 3.096 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000337217995 163166676 /nfs/dbraw/zinc/16/66/76/163166676.db2.gz BOGJOZPVVIPYMK-GOSISDBHSA-N 2 2 349.906 3.253 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000337217995 163166679 /nfs/dbraw/zinc/16/66/79/163166679.db2.gz BOGJOZPVVIPYMK-GOSISDBHSA-N 2 2 349.906 3.253 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000338261079 163199929 /nfs/dbraw/zinc/19/99/29/163199929.db2.gz IIMFVIYSYMVJFZ-UHFFFAOYSA-N 2 2 329.941 3.251 20 0 EGADLP CCc1nc2cc(C[NH2+][C@@H]3C[N@H+](CC)C[C@H]3C)ccc2n1C1CC1 ZINC000338462997 163232787 /nfs/dbraw/zinc/23/27/87/163232787.db2.gz WQNVZHJBKSFKLO-RDTXWAMCSA-N 2 2 326.488 3.363 20 0 EGADLP CCc1nc2cc(C[NH2+][C@@H]3C[N@@H+](CC)C[C@H]3C)ccc2n1C1CC1 ZINC000338462997 163232791 /nfs/dbraw/zinc/23/27/91/163232791.db2.gz WQNVZHJBKSFKLO-RDTXWAMCSA-N 2 2 326.488 3.363 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c2ccccc21 ZINC000338774024 163345396 /nfs/dbraw/zinc/34/53/96/163345396.db2.gz CPMGSIMLGFAOJL-PIKADFDJSA-N 2 2 330.472 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c2ccccc21 ZINC000338774024 163345397 /nfs/dbraw/zinc/34/53/97/163345397.db2.gz CPMGSIMLGFAOJL-PIKADFDJSA-N 2 2 330.472 3.241 20 0 EGADLP CSc1ccc([C@H](CNc2cc[nH+]c(C(C)C)n2)[NH+](C)C)cc1 ZINC000338836708 163360584 /nfs/dbraw/zinc/36/05/84/163360584.db2.gz LUPIBAXBKOUYMG-INIZCTEOSA-N 2 2 330.501 3.459 20 0 EGADLP CCCC[N@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354376478 166012575 /nfs/dbraw/zinc/01/25/75/166012575.db2.gz CZWLOPZISMVPFY-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP CCCC[N@@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354376478 166012578 /nfs/dbraw/zinc/01/25/78/166012578.db2.gz CZWLOPZISMVPFY-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCO[C@@H]2c2ccnn2C(C)C)c[nH+]1 ZINC000344250955 164137906 /nfs/dbraw/zinc/13/79/06/164137906.db2.gz INLPBKITYSATKB-MJGOQNOKSA-N 2 2 328.460 3.220 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344449560 164181878 /nfs/dbraw/zinc/18/18/78/164181878.db2.gz PJTZYLLPZBWJIE-YZGWKJHDSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344449560 164181880 /nfs/dbraw/zinc/18/18/80/164181880.db2.gz PJTZYLLPZBWJIE-YZGWKJHDSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560334 164215318 /nfs/dbraw/zinc/21/53/18/164215318.db2.gz UITIZLDLGUUYDB-UMGGQSCQSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560334 164215319 /nfs/dbraw/zinc/21/53/19/164215319.db2.gz UITIZLDLGUUYDB-UMGGQSCQSA-N 2 2 349.563 3.218 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc2cccnc12 ZINC000346172403 164356771 /nfs/dbraw/zinc/35/67/71/164356771.db2.gz LNBTYTVSUQKFLA-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc2cccnc12 ZINC000346172403 164356772 /nfs/dbraw/zinc/35/67/72/164356772.db2.gz LNBTYTVSUQKFLA-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346569645 164399390 /nfs/dbraw/zinc/39/93/90/164399390.db2.gz VDNRZBLWXFELOI-GOSISDBHSA-N 2 2 328.366 3.244 20 0 EGADLP C[C@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945926 166070939 /nfs/dbraw/zinc/07/09/39/166070939.db2.gz FENFMXUMGOCSCA-ZWKOTPCHSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H]1CN(C(=O)C[C@H]2CCCC(C)(C)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945926 166070940 /nfs/dbraw/zinc/07/09/40/166070940.db2.gz FENFMXUMGOCSCA-ZWKOTPCHSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H]1SCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000352031253 165201184 /nfs/dbraw/zinc/20/11/84/165201184.db2.gz ZFPFVDTUNQAEFU-ZWKOTPCHSA-N 2 2 333.545 3.025 20 0 EGADLP C[C@H]1SCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000352031253 165201187 /nfs/dbraw/zinc/20/11/87/165201187.db2.gz ZFPFVDTUNQAEFU-ZWKOTPCHSA-N 2 2 333.545 3.025 20 0 EGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000352102738 165237151 /nfs/dbraw/zinc/23/71/51/165237151.db2.gz RCVUBGYZQJRVDN-KRWDZBQOSA-N 2 2 335.451 3.400 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000352349578 165357103 /nfs/dbraw/zinc/35/71/03/165357103.db2.gz LPMYTHYOEVVIKL-UHFFFAOYSA-N 2 2 325.456 3.499 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352369684 165368666 /nfs/dbraw/zinc/36/86/66/165368666.db2.gz RPVQZEAGPPBRAV-QGZVFWFLSA-N 2 2 334.460 3.211 20 0 EGADLP CC(C)n1nccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352429410 165397477 /nfs/dbraw/zinc/39/74/77/165397477.db2.gz BBZGESGSWLDJBZ-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352429410 165397478 /nfs/dbraw/zinc/39/74/78/165397478.db2.gz BBZGESGSWLDJBZ-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352429410 165397480 /nfs/dbraw/zinc/39/74/80/165397480.db2.gz BBZGESGSWLDJBZ-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352429410 165397481 /nfs/dbraw/zinc/39/74/81/165397481.db2.gz BBZGESGSWLDJBZ-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP COC(=O)[C@@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)cc1 ZINC000355122397 166111893 /nfs/dbraw/zinc/11/18/93/166111893.db2.gz LYZPQWSOHIPPPR-FQEVSTJZSA-N 2 2 344.430 3.182 20 0 EGADLP C[C@H]1OCC[C@]12C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218212 166136874 /nfs/dbraw/zinc/13/68/74/166136874.db2.gz KUPRNJYINJBUPR-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1OCC[C@]12C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218212 166136878 /nfs/dbraw/zinc/13/68/78/166136878.db2.gz KUPRNJYINJBUPR-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1OCC[C@]12C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CCO2 ZINC000355218212 166136883 /nfs/dbraw/zinc/13/68/83/166136883.db2.gz KUPRNJYINJBUPR-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1OCC[C@]12C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CCO2 ZINC000355218212 166136885 /nfs/dbraw/zinc/13/68/85/166136885.db2.gz KUPRNJYINJBUPR-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000355368462 166176608 /nfs/dbraw/zinc/17/66/08/166176608.db2.gz QDOGXOJOGABDAL-MRXNPFEDSA-N 2 2 341.455 3.036 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000355368462 166176609 /nfs/dbraw/zinc/17/66/09/166176609.db2.gz QDOGXOJOGABDAL-MRXNPFEDSA-N 2 2 341.455 3.036 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCSc3ccccc3F)CC2)c1 ZINC000355370884 166177521 /nfs/dbraw/zinc/17/75/21/166177521.db2.gz VPQVBVSYPOPVDP-UHFFFAOYSA-N 2 2 347.459 3.144 20 0 EGADLP CSc1ccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000359267719 167110910 /nfs/dbraw/zinc/11/09/10/167110910.db2.gz AOALPCCDZOMQOQ-UHFFFAOYSA-N 2 2 343.496 3.198 20 0 EGADLP CSc1ccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000359267719 167110911 /nfs/dbraw/zinc/11/09/11/167110911.db2.gz AOALPCCDZOMQOQ-UHFFFAOYSA-N 2 2 343.496 3.198 20 0 EGADLP Cc1ccsc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000359312854 167122456 /nfs/dbraw/zinc/12/24/56/167122456.db2.gz OVVISPNJZHOGMI-SJLPKXTDSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ccsc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000359312854 167122458 /nfs/dbraw/zinc/12/24/58/167122458.db2.gz OVVISPNJZHOGMI-SJLPKXTDSA-N 2 2 329.513 3.494 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582743 167199388 /nfs/dbraw/zinc/19/93/88/167199388.db2.gz GYAANXZNIUZLNX-CRAIPNDOSA-N 2 2 332.492 3.351 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000359582743 167199393 /nfs/dbraw/zinc/19/93/93/167199393.db2.gz GYAANXZNIUZLNX-CRAIPNDOSA-N 2 2 332.492 3.351 20 0 EGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1F ZINC000359708512 167213215 /nfs/dbraw/zinc/21/32/15/167213215.db2.gz VLFUVWZYPLTLOI-UHFFFAOYSA-N 2 2 338.430 3.363 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000359766029 167226361 /nfs/dbraw/zinc/22/63/61/167226361.db2.gz JALWUDKUKRFVER-YLJYHZDGSA-N 2 2 338.499 3.463 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000359766029 167226364 /nfs/dbraw/zinc/22/63/64/167226364.db2.gz JALWUDKUKRFVER-YLJYHZDGSA-N 2 2 338.499 3.463 20 0 EGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000367093974 168179054 /nfs/dbraw/zinc/17/90/54/168179054.db2.gz NMWDJNKNSNXEHK-DLBZAZTESA-N 2 2 326.550 3.143 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nc2c(s1)CCCC2 ZINC000367383002 168218306 /nfs/dbraw/zinc/21/83/06/168218306.db2.gz AOBOMBRDBHLRLQ-ZDUSSCGKSA-N 2 2 330.501 3.448 20 0 EGADLP COc1ncc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000367438804 168226363 /nfs/dbraw/zinc/22/63/63/168226363.db2.gz PIOVEGOAZAXPME-GFCCVEGCSA-N 2 2 334.851 3.170 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000367698759 168259671 /nfs/dbraw/zinc/25/96/71/168259671.db2.gz FWJYMNALZAYQAL-LLVKDONJSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000367698759 168259673 /nfs/dbraw/zinc/25/96/73/168259673.db2.gz FWJYMNALZAYQAL-LLVKDONJSA-N 2 2 338.224 3.311 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000367923829 168284963 /nfs/dbraw/zinc/28/49/63/168284963.db2.gz DVAIMTTZNVYFKM-CRAIPNDOSA-N 2 2 328.412 3.025 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367923829 168284965 /nfs/dbraw/zinc/28/49/65/168284965.db2.gz DVAIMTTZNVYFKM-CRAIPNDOSA-N 2 2 328.412 3.025 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964537 265082431 /nfs/dbraw/zinc/08/24/31/265082431.db2.gz VRNLYOUQQQYZFG-GHTZIAJQSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964537 265082434 /nfs/dbraw/zinc/08/24/34/265082434.db2.gz VRNLYOUQQQYZFG-GHTZIAJQSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964537 265082437 /nfs/dbraw/zinc/08/24/37/265082437.db2.gz VRNLYOUQQQYZFG-GHTZIAJQSA-N 2 2 345.531 3.164 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000174964537 265082441 /nfs/dbraw/zinc/08/24/41/265082441.db2.gz VRNLYOUQQQYZFG-GHTZIAJQSA-N 2 2 345.531 3.164 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(Cl)c1 ZINC000177334460 265247821 /nfs/dbraw/zinc/24/78/21/265247821.db2.gz VUDSITPMLPKFTE-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(Cl)c1 ZINC000177334460 265247823 /nfs/dbraw/zinc/24/78/23/265247823.db2.gz VUDSITPMLPKFTE-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(Cl)c1 ZINC000177334460 265247826 /nfs/dbraw/zinc/24/78/26/265247826.db2.gz VUDSITPMLPKFTE-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(Cl)c1 ZINC000177334460 265247830 /nfs/dbraw/zinc/24/78/30/265247830.db2.gz VUDSITPMLPKFTE-SJORKVTESA-N 2 2 335.879 3.227 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@@H+]1C1CC1 ZINC000178103054 265294833 /nfs/dbraw/zinc/29/48/33/265294833.db2.gz ZRGLOEIBYMOUGJ-YOEHRIQHSA-N 2 2 330.472 3.357 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@H+]1C1CC1 ZINC000178103054 265294837 /nfs/dbraw/zinc/29/48/37/265294837.db2.gz ZRGLOEIBYMOUGJ-YOEHRIQHSA-N 2 2 330.472 3.357 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000191601414 265919244 /nfs/dbraw/zinc/91/92/44/265919244.db2.gz PEVIASXXJVERIU-FXAWDEMLSA-N 2 2 335.451 3.435 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cc(Br)ncc1F)C[NH+]1CCCC1 ZINC000273875492 267131364 /nfs/dbraw/zinc/13/13/64/267131364.db2.gz PMJLJCVEAVAHEC-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000273881370 267132681 /nfs/dbraw/zinc/13/26/81/267132681.db2.gz RFJWVEJRRJQPAD-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000273881370 267132684 /nfs/dbraw/zinc/13/26/84/267132684.db2.gz RFJWVEJRRJQPAD-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP COc1cc(OC)cc([C@H](Nc2cc[nH+]c(C)c2)c2[nH+]ccn2C)c1 ZINC000274332175 267219466 /nfs/dbraw/zinc/21/94/66/267219466.db2.gz GERUIOZJTCQXRC-SFHVURJKSA-N 2 2 338.411 3.342 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)cc[nH+]1 ZINC000274782635 267286549 /nfs/dbraw/zinc/28/65/49/267286549.db2.gz FBJUHMDYIKRLAD-UHFFFAOYSA-N 2 2 341.846 3.013 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275086027 267316242 /nfs/dbraw/zinc/31/62/42/267316242.db2.gz GFJNNEBMWZQSHC-OAHLLOKOSA-N 2 2 338.442 3.123 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275086027 267316243 /nfs/dbraw/zinc/31/62/43/267316243.db2.gz GFJNNEBMWZQSHC-OAHLLOKOSA-N 2 2 338.442 3.123 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547230 267378852 /nfs/dbraw/zinc/37/88/52/267378852.db2.gz GAXVEKLWQGSQJU-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547230 267378856 /nfs/dbraw/zinc/37/88/56/267378856.db2.gz GAXVEKLWQGSQJU-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)ccc1F ZINC000275547230 267378858 /nfs/dbraw/zinc/37/88/58/267378858.db2.gz GAXVEKLWQGSQJU-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)ccc1F ZINC000275547230 267378861 /nfs/dbraw/zinc/37/88/61/267378861.db2.gz GAXVEKLWQGSQJU-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461971 268018905 /nfs/dbraw/zinc/01/89/05/268018905.db2.gz MRFLAVISWQTYMW-UTKZUKDTSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461971 268018907 /nfs/dbraw/zinc/01/89/07/268018907.db2.gz MRFLAVISWQTYMW-UTKZUKDTSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000340583424 274233189 /nfs/dbraw/zinc/23/31/89/274233189.db2.gz MVFRXVMPYBPIHE-IINYFYTJSA-N 2 2 338.224 3.450 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012540555 275120335 /nfs/dbraw/zinc/12/03/35/275120335.db2.gz LMODQPWYOQLDQA-UHFFFAOYSA-N 2 2 334.423 3.251 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012540555 275120336 /nfs/dbraw/zinc/12/03/36/275120336.db2.gz LMODQPWYOQLDQA-UHFFFAOYSA-N 2 2 334.423 3.251 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090972265 275153797 /nfs/dbraw/zinc/15/37/97/275153797.db2.gz JAGOGSXKYWLULK-YWZLYKJASA-N 2 2 343.446 3.230 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090972265 275153798 /nfs/dbraw/zinc/15/37/98/275153798.db2.gz JAGOGSXKYWLULK-YWZLYKJASA-N 2 2 343.446 3.230 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000109786589 275179332 /nfs/dbraw/zinc/17/93/32/275179332.db2.gz QNUGWKQULNWZKA-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000109786589 275179331 /nfs/dbraw/zinc/17/93/31/275179331.db2.gz QNUGWKQULNWZKA-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP Fc1cc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)ccc1Cl ZINC000191946286 275222799 /nfs/dbraw/zinc/22/27/99/275222799.db2.gz ULWQATNOMDTEJZ-UHFFFAOYSA-N 2 2 326.843 3.418 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000271914833 275241157 /nfs/dbraw/zinc/24/11/57/275241157.db2.gz YNXQKWRXXGLUCC-NEPJUHHUSA-N 2 2 338.249 3.394 20 0 EGADLP Cn1cc([C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891189 275248292 /nfs/dbraw/zinc/24/82/92/275248292.db2.gz PVYCUHVLOSFGAT-RTBURBONSA-N 2 2 330.451 3.113 20 0 EGADLP Cn1cc([C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891189 275248294 /nfs/dbraw/zinc/24/82/94/275248294.db2.gz PVYCUHVLOSFGAT-RTBURBONSA-N 2 2 330.451 3.113 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278748156 275271327 /nfs/dbraw/zinc/27/13/27/275271327.db2.gz RWVUYECBGZUVSO-UHFFFAOYSA-N 2 2 342.487 3.292 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000278767787 275273156 /nfs/dbraw/zinc/27/31/56/275273156.db2.gz XRZBZZLMMKGKLN-IRXDYDNUSA-N 2 2 327.472 3.386 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000278767787 275273157 /nfs/dbraw/zinc/27/31/57/275273157.db2.gz XRZBZZLMMKGKLN-IRXDYDNUSA-N 2 2 327.472 3.386 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000278937453 275289230 /nfs/dbraw/zinc/28/92/30/275289230.db2.gz LSZXKARAKGMHJF-XUVXKRRUSA-N 2 2 338.499 3.201 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278937453 275289232 /nfs/dbraw/zinc/28/92/32/275289232.db2.gz LSZXKARAKGMHJF-XUVXKRRUSA-N 2 2 338.499 3.201 20 0 EGADLP CC(C)c1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278944350 275289913 /nfs/dbraw/zinc/28/99/13/275289913.db2.gz UXFROOSCWVJTQO-UHFFFAOYSA-N 2 2 329.448 3.105 20 0 EGADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000279619377 275344613 /nfs/dbraw/zinc/34/46/13/275344613.db2.gz YEFMRJGFESLMBZ-QAPCUYQASA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1 ZINC000279619377 275344614 /nfs/dbraw/zinc/34/46/14/275344614.db2.gz YEFMRJGFESLMBZ-QAPCUYQASA-N 2 2 340.895 3.118 20 0 EGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279846069 275365237 /nfs/dbraw/zinc/36/52/37/275365237.db2.gz LSDDTWOPSKBQAW-LJQANCHMSA-N 2 2 348.450 3.167 20 0 EGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@H+]1C1CC1 ZINC000279846069 275365239 /nfs/dbraw/zinc/36/52/39/275365239.db2.gz LSDDTWOPSKBQAW-LJQANCHMSA-N 2 2 348.450 3.167 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]c2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000280258418 275428303 /nfs/dbraw/zinc/42/83/03/275428303.db2.gz MGZIILLDHABVIF-MPGHIAIKSA-N 2 2 334.460 3.017 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209172 276044641 /nfs/dbraw/zinc/04/46/41/276044641.db2.gz QLUJVYQLWKWURC-DLBZAZTESA-N 2 2 337.895 3.111 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209172 276044642 /nfs/dbraw/zinc/04/46/42/276044642.db2.gz QLUJVYQLWKWURC-DLBZAZTESA-N 2 2 337.895 3.111 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947951 276061673 /nfs/dbraw/zinc/06/16/73/276061673.db2.gz MLYAOIDFABWAQZ-FXAWDEMLSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947951 276061674 /nfs/dbraw/zinc/06/16/74/276061674.db2.gz MLYAOIDFABWAQZ-FXAWDEMLSA-N 2 2 347.466 3.192 20 0 EGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000289254768 276311898 /nfs/dbraw/zinc/31/18/98/276311898.db2.gz NUBVCZJVWCMQJT-INIZCTEOSA-N 2 2 325.387 3.302 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC000289302974 276318922 /nfs/dbraw/zinc/31/89/22/276318922.db2.gz AGWVAIOWUALEKU-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP CC(=O)N1CC[N@H+](CCCc2c[nH+]ccc2C)CC12CCCCC2 ZINC000289334838 276323667 /nfs/dbraw/zinc/32/36/67/276323667.db2.gz VKNDAKMSEJLKAN-UHFFFAOYSA-N 2 2 329.488 3.190 20 0 EGADLP CC(=O)N1CC[N@@H+](CCCc2c[nH+]ccc2C)CC12CCCCC2 ZINC000289334838 276323668 /nfs/dbraw/zinc/32/36/68/276323668.db2.gz VKNDAKMSEJLKAN-UHFFFAOYSA-N 2 2 329.488 3.190 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@H](C)CO)cc3)[nH+]c12 ZINC000289432460 276338306 /nfs/dbraw/zinc/33/83/06/276338306.db2.gz KXMRNHBBVPVMSZ-MRXNPFEDSA-N 2 2 339.439 3.034 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@H](C)CO)cc3)[nH+]c12 ZINC000289432460 276338307 /nfs/dbraw/zinc/33/83/07/276338307.db2.gz KXMRNHBBVPVMSZ-MRXNPFEDSA-N 2 2 339.439 3.034 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000289508812 276350185 /nfs/dbraw/zinc/35/01/85/276350185.db2.gz FEPDSJRZKJKAOJ-RDJZCZTQSA-N 2 2 333.501 3.392 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000289508812 276350186 /nfs/dbraw/zinc/35/01/86/276350186.db2.gz FEPDSJRZKJKAOJ-RDJZCZTQSA-N 2 2 333.501 3.392 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000289576239 276360359 /nfs/dbraw/zinc/36/03/59/276360359.db2.gz AEMOQPFZHZZEES-ROUUACIJSA-N 2 2 325.412 3.447 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000289768375 276390738 /nfs/dbraw/zinc/39/07/38/276390738.db2.gz PDDFJODVAYROSI-RYUDHWBXSA-N 2 2 340.240 3.394 20 0 EGADLP OC[C@@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC000289802999 276397534 /nfs/dbraw/zinc/39/75/34/276397534.db2.gz LBCHWBGDAIBEEK-SFTDATJTSA-N 2 2 333.435 3.128 20 0 EGADLP c1cn(Cc2cccc(-c3noc(C4CC[NH+](C5CC5)CC4)n3)c2)c[nH+]1 ZINC000289928754 276420908 /nfs/dbraw/zinc/42/09/08/276420908.db2.gz ANQHZOJMFFWAPX-UHFFFAOYSA-N 2 2 349.438 3.323 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000290260050 276472192 /nfs/dbraw/zinc/47/21/92/276472192.db2.gz XKDMGXHIFZMBGA-ROUUACIJSA-N 2 2 325.412 3.447 20 0 EGADLP Cc1ccc([C@H](C[NH2+]Cc2c[nH]c3nccnc23)[NH+]2CCCC2)cc1 ZINC000290912869 276559750 /nfs/dbraw/zinc/55/97/50/276559750.db2.gz POVRBLUMUKBGLR-SFHVURJKSA-N 2 2 335.455 3.193 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000268872320 277103472 /nfs/dbraw/zinc/10/34/72/277103472.db2.gz GINNNODJXLFKAD-PBHICJAKSA-N 2 2 329.513 3.114 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000268872320 277103473 /nfs/dbraw/zinc/10/34/73/277103473.db2.gz GINNNODJXLFKAD-PBHICJAKSA-N 2 2 329.513 3.114 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771664 278308106 /nfs/dbraw/zinc/30/81/06/278308106.db2.gz RGGBMGAIEPYELD-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771664 278308109 /nfs/dbraw/zinc/30/81/09/278308109.db2.gz RGGBMGAIEPYELD-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)cc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771664 278308112 /nfs/dbraw/zinc/30/81/12/278308112.db2.gz RGGBMGAIEPYELD-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)cc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343771664 278308113 /nfs/dbraw/zinc/30/81/13/278308113.db2.gz RGGBMGAIEPYELD-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nc2c(s1)CCCC2 ZINC000245542685 278345532 /nfs/dbraw/zinc/34/55/32/278345532.db2.gz RNQOXHDEXAKTIU-RBSFLKMASA-N 2 2 337.533 3.172 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccc(N2CCCC2=O)c1 ZINC000361661416 278351327 /nfs/dbraw/zinc/35/13/27/278351327.db2.gz FPMRSAMLZDLNFR-WBVHZDCISA-N 2 2 338.455 3.238 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000358175578 279264518 /nfs/dbraw/zinc/26/45/18/279264518.db2.gz YUURWBSUBRQJCL-ZIAGYGMSSA-N 2 2 341.293 3.211 20 0 EGADLP C[C@H](c1ccccc1F)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250292919 290264926 /nfs/dbraw/zinc/26/49/26/290264926.db2.gz VRZWQFIPLRMONL-FGTMMUONSA-N 2 2 333.495 3.377 20 0 EGADLP C[C@H](c1ccccc1F)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250292919 290264928 /nfs/dbraw/zinc/26/49/28/290264928.db2.gz VRZWQFIPLRMONL-FGTMMUONSA-N 2 2 333.495 3.377 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000370312957 295213084 /nfs/dbraw/zinc/21/30/84/295213084.db2.gz FGWOXILHAPBIOG-UXHICEINSA-N 2 2 344.499 3.381 20 0 EGADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000153161944 307767503 /nfs/dbraw/zinc/76/75/03/307767503.db2.gz BHBBZNXRUQLLDX-LSDHHAIUSA-N 2 2 342.430 3.215 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)ccc2c1 ZINC000153336776 307770900 /nfs/dbraw/zinc/77/09/00/307770900.db2.gz ZMJSVEVLDUUFDB-SJORKVTESA-N 2 2 342.483 3.467 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414210517 309066884 /nfs/dbraw/zinc/06/68/84/309066884.db2.gz OQYVXBDJWWWIHY-HMXCVIKNSA-N 2 2 338.499 3.293 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000414210517 309066885 /nfs/dbraw/zinc/06/68/85/309066885.db2.gz OQYVXBDJWWWIHY-HMXCVIKNSA-N 2 2 338.499 3.293 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414294096 309071128 /nfs/dbraw/zinc/07/11/28/309071128.db2.gz DEMHJHWLVGGAGV-GFCCVEGCSA-N 2 2 340.393 3.226 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323877 309072943 /nfs/dbraw/zinc/07/29/43/309072943.db2.gz AZBMPUKEWRYSPW-YLJYHZDGSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323877 309072944 /nfs/dbraw/zinc/07/29/44/309072944.db2.gz AZBMPUKEWRYSPW-YLJYHZDGSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000414351071 309074567 /nfs/dbraw/zinc/07/45/67/309074567.db2.gz RCWCMTSQBNODHN-IQUTYRLHSA-N 2 2 329.463 3.321 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000414351071 309074568 /nfs/dbraw/zinc/07/45/68/309074568.db2.gz RCWCMTSQBNODHN-IQUTYRLHSA-N 2 2 329.463 3.321 20 0 EGADLP Cc1ccc(C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)c2ccccn2)cc1 ZINC000414390521 309077256 /nfs/dbraw/zinc/07/72/56/309077256.db2.gz IYRLQGOUZSBJQX-HXUWFJFHSA-N 2 2 349.482 3.263 20 0 EGADLP C[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249207414 308021268 /nfs/dbraw/zinc/02/12/68/308021268.db2.gz WQMQNALBVQQXRT-RKVPGOIHSA-N 2 2 330.451 3.348 20 0 EGADLP C[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000249207414 308021270 /nfs/dbraw/zinc/02/12/70/308021270.db2.gz WQMQNALBVQQXRT-RKVPGOIHSA-N 2 2 330.451 3.348 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292893906 308077312 /nfs/dbraw/zinc/07/73/12/308077312.db2.gz ZHAOIVHJRNERCZ-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292893906 308077314 /nfs/dbraw/zinc/07/73/14/308077314.db2.gz ZHAOIVHJRNERCZ-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1c(Cl)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292893906 308077315 /nfs/dbraw/zinc/07/73/15/308077315.db2.gz ZHAOIVHJRNERCZ-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1c(Cl)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292893906 308077318 /nfs/dbraw/zinc/07/73/18/308077318.db2.gz ZHAOIVHJRNERCZ-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)n2)cc1 ZINC000293036839 308092705 /nfs/dbraw/zinc/09/27/05/308092705.db2.gz RZMUOBJCOHVHDE-HXUWFJFHSA-N 2 2 340.471 3.217 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)n2)cc1 ZINC000293036839 308092706 /nfs/dbraw/zinc/09/27/06/308092706.db2.gz RZMUOBJCOHVHDE-HXUWFJFHSA-N 2 2 340.471 3.217 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)n2)cc1 ZINC000293036839 308092707 /nfs/dbraw/zinc/09/27/07/308092707.db2.gz RZMUOBJCOHVHDE-HXUWFJFHSA-N 2 2 340.471 3.217 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)n2)cc1 ZINC000293036839 308092708 /nfs/dbraw/zinc/09/27/08/308092708.db2.gz RZMUOBJCOHVHDE-HXUWFJFHSA-N 2 2 340.471 3.217 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000293880417 308170637 /nfs/dbraw/zinc/17/06/37/308170637.db2.gz VKQTUHOUUHNIOH-HSZSURFESA-N 2 2 343.515 3.076 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000293880417 308170639 /nfs/dbraw/zinc/17/06/39/308170639.db2.gz VKQTUHOUUHNIOH-HSZSURFESA-N 2 2 343.515 3.076 20 0 EGADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000294659111 308243284 /nfs/dbraw/zinc/24/32/84/308243284.db2.gz CLRVUJLQZKFSEK-ZWKOTPCHSA-N 2 2 345.874 3.067 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109058 308292611 /nfs/dbraw/zinc/29/26/11/308292611.db2.gz VEPONVXKOIFWHV-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109058 308292614 /nfs/dbraw/zinc/29/26/14/308292614.db2.gz VEPONVXKOIFWHV-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109058 308292616 /nfs/dbraw/zinc/29/26/16/308292616.db2.gz VEPONVXKOIFWHV-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000295109058 308292618 /nfs/dbraw/zinc/29/26/18/308292618.db2.gz VEPONVXKOIFWHV-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295188040 308300829 /nfs/dbraw/zinc/30/08/29/308300829.db2.gz IODKSDTZVTXWQT-ZIFCJYIRSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295188040 308300831 /nfs/dbraw/zinc/30/08/31/308300831.db2.gz IODKSDTZVTXWQT-ZIFCJYIRSA-N 2 2 326.488 3.464 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414659836 309094133 /nfs/dbraw/zinc/09/41/33/309094133.db2.gz UFPYWAOVICCYQQ-OAHLLOKOSA-N 2 2 338.377 3.204 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414659836 309094134 /nfs/dbraw/zinc/09/41/34/309094134.db2.gz UFPYWAOVICCYQQ-OAHLLOKOSA-N 2 2 338.377 3.204 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000297150239 308504219 /nfs/dbraw/zinc/50/42/19/308504219.db2.gz ZXLRUIMQSYEUBZ-WBVHZDCISA-N 2 2 333.476 3.310 20 0 EGADLP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)n1cncn1 ZINC000297214164 308510933 /nfs/dbraw/zinc/51/09/33/308510933.db2.gz GWTAWYGQWRHLMJ-CYBMUJFWSA-N 2 2 344.850 3.031 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000414820611 309103665 /nfs/dbraw/zinc/10/36/65/309103665.db2.gz ALRGONOZRYTZIO-DFNIBXOVSA-N 3 2 333.907 3.177 20 0 EGADLP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c(Cl)c1OC ZINC000414834668 309104730 /nfs/dbraw/zinc/10/47/30/309104730.db2.gz GVSUJKVVPNPBHH-CQSZACIVSA-N 2 2 326.868 3.354 20 0 EGADLP COCCC[NH+]1CCC(Nc2c(C)c[nH+]c3c(OC)cccc23)CC1 ZINC000302639973 308740963 /nfs/dbraw/zinc/74/09/63/308740963.db2.gz KZFLYTAINTTYNC-UHFFFAOYSA-N 2 2 343.471 3.465 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000332077127 308825477 /nfs/dbraw/zinc/82/54/77/308825477.db2.gz ZBEGMTPNRIVIJW-DJIMGWMZSA-N 2 2 345.491 3.160 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000360052816 308894944 /nfs/dbraw/zinc/89/49/44/308894944.db2.gz CKHSECBRQKMVII-HIFRSBDPSA-N 2 2 348.516 3.374 20 0 EGADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411813591 308953429 /nfs/dbraw/zinc/95/34/29/308953429.db2.gz FHRSTDMUYYNPBX-UHFFFAOYSA-N 2 2 332.275 3.252 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414851334 309105513 /nfs/dbraw/zinc/10/55/13/309105513.db2.gz JASBLFJHPHFTRV-NVXWUHKLSA-N 3 2 335.923 3.282 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000414857443 309105981 /nfs/dbraw/zinc/10/59/81/309105981.db2.gz PMPANIMTOGPPDB-CABCVRRESA-N 2 2 331.485 3.200 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1OC(F)F ZINC000414924584 309109726 /nfs/dbraw/zinc/10/97/26/309109726.db2.gz HMWYNSHRBJDJOU-HNNXBMFYSA-N 2 2 328.403 3.164 20 0 EGADLP CCc1nc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000414995839 309113385 /nfs/dbraw/zinc/11/33/85/309113385.db2.gz FVHNKRORWNRJFN-WMLDXEAASA-N 2 2 333.476 3.328 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000415010778 309114103 /nfs/dbraw/zinc/11/41/03/309114103.db2.gz PVJCLWISQACGLY-VQTJNVASSA-N 3 2 347.934 3.282 20 0 EGADLP Brc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415052304 309116718 /nfs/dbraw/zinc/11/67/18/309116718.db2.gz NDYLDZXGBKBGNC-DLBZAZTESA-N 2 2 331.257 3.294 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000415063455 309117678 /nfs/dbraw/zinc/11/76/78/309117678.db2.gz ICWPWNNFXHWMDC-IBGZPJMESA-N 2 2 345.531 3.266 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000415069641 309118170 /nfs/dbraw/zinc/11/81/70/309118170.db2.gz SVERJKAUWAAZAU-OAQYLSRUSA-N 2 2 334.467 3.283 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000415067853 309118181 /nfs/dbraw/zinc/11/81/81/309118181.db2.gz QCDGTXWSDUIXSF-KRWDZBQOSA-N 2 2 344.455 3.064 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415103171 309120597 /nfs/dbraw/zinc/12/05/97/309120597.db2.gz CSOIRFCXQQUGOS-ZFWWWQNUSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415103171 309120598 /nfs/dbraw/zinc/12/05/98/309120598.db2.gz CSOIRFCXQQUGOS-ZFWWWQNUSA-N 2 2 331.485 3.235 20 0 EGADLP C[C@@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)c(C[NH+]2CCOCC2)c1 ZINC000415114298 309121304 /nfs/dbraw/zinc/12/13/04/309121304.db2.gz XIJGZZOKDPWDHK-HOCLYGCPSA-N 2 2 337.895 3.115 20 0 EGADLP C[C@@H]1CC([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000415134510 309123113 /nfs/dbraw/zinc/12/31/13/309123113.db2.gz OQKHMNJDEPPSJV-ROUUACIJSA-N 3 2 329.532 3.394 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000415289903 309129846 /nfs/dbraw/zinc/12/98/46/309129846.db2.gz BAWMPOZOXDYMNJ-RHSMWYFYSA-N 2 2 341.459 3.161 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415291477 309130000 /nfs/dbraw/zinc/13/00/00/309130000.db2.gz GYNPVSRTBVQKHI-QGZVFWFLSA-N 2 2 341.459 3.224 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)CCCC[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415470199 309134317 /nfs/dbraw/zinc/13/43/17/309134317.db2.gz XREZJFLBJKXMAZ-HOTGVXAUSA-N 2 2 347.507 3.408 20 0 EGADLP CCC[NH2+]CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415594697 309137744 /nfs/dbraw/zinc/13/77/44/309137744.db2.gz IRPMSXVEBVPAPT-UHFFFAOYSA-N 2 2 341.459 3.008 20 0 EGADLP CCCN(C(=O)NCCC[N@H+](CC)c1ccccc1)C1CC[NH2+]CC1 ZINC000416868897 309184513 /nfs/dbraw/zinc/18/45/13/309184513.db2.gz GEWBDFDRHHZAEF-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CCCN(C(=O)NCCC[N@@H+](CC)c1ccccc1)C1CC[NH2+]CC1 ZINC000416868897 309184514 /nfs/dbraw/zinc/18/45/14/309184514.db2.gz GEWBDFDRHHZAEF-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CCn1c[nH+]cc1CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417827188 309224242 /nfs/dbraw/zinc/22/42/42/309224242.db2.gz PGKDPWYNBDHQRX-HOTGVXAUSA-N 2 2 328.460 3.124 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419295253 309263556 /nfs/dbraw/zinc/26/35/56/309263556.db2.gz QGUHUFQEYBNWCU-OAHLLOKOSA-N 2 2 329.488 3.183 20 0 EGADLP CCCOc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419728739 309271404 /nfs/dbraw/zinc/27/14/04/309271404.db2.gz NPXMXMVWAXIMSW-UHFFFAOYSA-N 2 2 330.476 3.300 20 0 EGADLP C[C@@H]([NH3+])C[N@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000420295857 309279916 /nfs/dbraw/zinc/27/99/16/309279916.db2.gz BAJREIKJKPZSJN-OAHLLOKOSA-N 2 2 348.874 3.061 20 0 EGADLP C[C@@H]([NH3+])C[N@@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000420295857 309279917 /nfs/dbraw/zinc/27/99/17/309279917.db2.gz BAJREIKJKPZSJN-OAHLLOKOSA-N 2 2 348.874 3.061 20 0 EGADLP C[C@H]([NH3+])C[N@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000420295856 309279919 /nfs/dbraw/zinc/27/99/19/309279919.db2.gz BAJREIKJKPZSJN-HNNXBMFYSA-N 2 2 348.874 3.061 20 0 EGADLP C[C@H]([NH3+])C[N@@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000420295856 309279920 /nfs/dbraw/zinc/27/99/20/309279920.db2.gz BAJREIKJKPZSJN-HNNXBMFYSA-N 2 2 348.874 3.061 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000420298297 309280216 /nfs/dbraw/zinc/28/02/16/309280216.db2.gz ZVJJUUKEMYZDCQ-LPHOPBHVSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000420298297 309280217 /nfs/dbraw/zinc/28/02/17/309280217.db2.gz ZVJJUUKEMYZDCQ-LPHOPBHVSA-N 2 2 349.478 3.119 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+](CC[NH3+])Cc3ccccc3)ccc2o1 ZINC000420314690 309281514 /nfs/dbraw/zinc/28/15/14/309281514.db2.gz WAZQYRLXVATUSL-UHFFFAOYSA-N 2 2 338.407 3.180 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+](CC[NH3+])Cc3ccccc3)ccc2o1 ZINC000420314690 309281515 /nfs/dbraw/zinc/28/15/15/309281515.db2.gz WAZQYRLXVATUSL-UHFFFAOYSA-N 2 2 338.407 3.180 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000420352698 309283629 /nfs/dbraw/zinc/28/36/29/309283629.db2.gz ASVMLVNDDCMMHH-OAHLLOKOSA-N 2 2 343.393 3.141 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420363583 309284251 /nfs/dbraw/zinc/28/42/51/309284251.db2.gz OBKCTWMNIWBEFY-GOSISDBHSA-N 2 2 325.456 3.255 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000420369227 309284631 /nfs/dbraw/zinc/28/46/31/309284631.db2.gz UTZPBTMHTCOETQ-HKUYNNGSSA-N 2 2 349.494 3.136 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cs2)c1OC ZINC000420369283 309284698 /nfs/dbraw/zinc/28/46/98/309284698.db2.gz UWZBFBKPDKTMRV-HNNXBMFYSA-N 2 2 349.500 3.290 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000420372257 309284947 /nfs/dbraw/zinc/28/49/47/309284947.db2.gz QDWNXISDJURQAD-YYHMBLRTSA-N 2 2 344.286 3.297 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420382216 309285635 /nfs/dbraw/zinc/28/56/35/309285635.db2.gz ZNIMGGUTHINYMZ-WHSLLNHNSA-N 2 2 337.467 3.268 20 0 EGADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)s2)cc1 ZINC000420387161 309285769 /nfs/dbraw/zinc/28/57/69/309285769.db2.gz JUSQLDCDMDJHGD-QGZVFWFLSA-N 2 2 345.512 3.483 20 0 EGADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CCCO[C@H](C[NH3+])C3)s2)cc1 ZINC000420387161 309285770 /nfs/dbraw/zinc/28/57/70/309285770.db2.gz JUSQLDCDMDJHGD-QGZVFWFLSA-N 2 2 345.512 3.483 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420385758 309285786 /nfs/dbraw/zinc/28/57/86/309285786.db2.gz FHHHQSNOBICMAM-QAPCUYQASA-N 2 2 325.456 3.123 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420385758 309285787 /nfs/dbraw/zinc/28/57/87/309285787.db2.gz FHHHQSNOBICMAM-QAPCUYQASA-N 2 2 325.456 3.123 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000420407024 309286844 /nfs/dbraw/zinc/28/68/44/309286844.db2.gz VCVCPIMQQRHVFH-PBHICJAKSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000420407024 309286845 /nfs/dbraw/zinc/28/68/45/309286845.db2.gz VCVCPIMQQRHVFH-PBHICJAKSA-N 2 2 329.419 3.445 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420788093 309294696 /nfs/dbraw/zinc/29/46/96/309294696.db2.gz KQHJTMALWAPVJP-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000420788093 309294697 /nfs/dbraw/zinc/29/46/97/309294697.db2.gz KQHJTMALWAPVJP-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)CC(C)C ZINC000420795741 309295251 /nfs/dbraw/zinc/29/52/51/309295251.db2.gz FCYVQZVERBDISC-GOSISDBHSA-N 2 2 334.508 3.254 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(O)c1 ZINC000420916198 309300908 /nfs/dbraw/zinc/30/09/08/309300908.db2.gz GZCYUPLTIUDJSI-INIZCTEOSA-N 2 2 326.440 3.075 20 0 EGADLP c1cncc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420933343 309302202 /nfs/dbraw/zinc/30/22/02/309302202.db2.gz ICGZBYOYQVRLTI-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP Cn1cc(Cl)cc1C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942006 309302916 /nfs/dbraw/zinc/30/29/16/309302916.db2.gz UJPHKHWAEGOQMF-UHFFFAOYSA-N 2 2 347.890 3.143 20 0 EGADLP Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942006 309302917 /nfs/dbraw/zinc/30/29/17/309302917.db2.gz UJPHKHWAEGOQMF-UHFFFAOYSA-N 2 2 347.890 3.143 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420944371 309302963 /nfs/dbraw/zinc/30/29/63/309302963.db2.gz YEFANMKVTXDTSX-HXUWFJFHSA-N 2 2 325.456 3.184 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420944371 309302964 /nfs/dbraw/zinc/30/29/64/309302964.db2.gz YEFANMKVTXDTSX-HXUWFJFHSA-N 2 2 325.456 3.184 20 0 EGADLP CCSCC[C@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420943443 309303110 /nfs/dbraw/zinc/30/31/10/309303110.db2.gz WSSXBZCSIFGCRD-KRWDZBQOSA-N 2 2 336.545 3.482 20 0 EGADLP CCSCC[C@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420943443 309303111 /nfs/dbraw/zinc/30/31/11/309303111.db2.gz WSSXBZCSIFGCRD-KRWDZBQOSA-N 2 2 336.545 3.482 20 0 EGADLP COC1([C@H](C)[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398607 309322936 /nfs/dbraw/zinc/32/29/36/309322936.db2.gz GSONLXJLZAQKGO-BJLQDIEVSA-N 2 2 346.515 3.071 20 0 EGADLP COC1([C@H](C)[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398607 309322937 /nfs/dbraw/zinc/32/29/37/309322937.db2.gz GSONLXJLZAQKGO-BJLQDIEVSA-N 2 2 346.515 3.071 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCC3CCCC3)CC2)CC1 ZINC000422029300 309352066 /nfs/dbraw/zinc/35/20/66/309352066.db2.gz ZFBNXWODODTZLM-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCC3CCCC3)CC2)CC1 ZINC000422029300 309352067 /nfs/dbraw/zinc/35/20/67/309352067.db2.gz ZFBNXWODODTZLM-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422723953 309365094 /nfs/dbraw/zinc/36/50/94/309365094.db2.gz TUHQUYCYHZSFOK-ZHALLVOQSA-N 2 2 334.504 3.152 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422727332 309365215 /nfs/dbraw/zinc/36/52/15/309365215.db2.gz CDKIWFJCQPZAPE-UHOSZYNNSA-N 2 2 343.540 3.433 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735442 309365810 /nfs/dbraw/zinc/36/58/10/309365810.db2.gz UTDRVGXSYJZLCS-TZMCWYRMSA-N 2 2 328.859 3.113 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422834237 309370998 /nfs/dbraw/zinc/37/09/98/309370998.db2.gz NNUMDUTZBMYELO-MOPGFXCFSA-N 2 2 326.488 3.266 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@@H]1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000422834237 309370999 /nfs/dbraw/zinc/37/09/99/309370999.db2.gz NNUMDUTZBMYELO-MOPGFXCFSA-N 2 2 326.488 3.266 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)CC[NH2+]2)cc1 ZINC000422838546 309371123 /nfs/dbraw/zinc/37/11/23/309371123.db2.gz OSHPXQSIDIUBKS-TZIWHRDSSA-N 3 2 327.516 3.476 20 0 EGADLP C[C@@H](NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422851952 309372060 /nfs/dbraw/zinc/37/20/60/309372060.db2.gz XNFUQYPKGMPTNF-XYPHTWIQSA-N 2 2 339.886 3.346 20 0 EGADLP CC[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nc1C)[C@H]1CCCC[NH2+]1 ZINC000422853585 309372069 /nfs/dbraw/zinc/37/20/69/309372069.db2.gz ZGODUYNORTULMZ-RBUKOAKNSA-N 2 2 330.451 3.330 20 0 EGADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422890171 309374485 /nfs/dbraw/zinc/37/44/85/309374485.db2.gz RNCAZWCFKHEXCD-QITLCBANSA-N 2 2 329.469 3.358 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cn2)c1 ZINC000422900145 309374988 /nfs/dbraw/zinc/37/49/88/309374988.db2.gz PYUBQUUJEJQYJQ-KBXCAEBGSA-N 2 2 327.428 3.113 20 0 EGADLP CC(C)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(F)cccc1Cl ZINC000422923545 309376295 /nfs/dbraw/zinc/37/62/95/309376295.db2.gz WNQYOPIEEPWPQZ-DOTOQJQBSA-N 2 2 340.870 3.113 20 0 EGADLP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422933771 309376731 /nfs/dbraw/zinc/37/67/31/309376731.db2.gz DSNKFLULZJKRLH-WOJBJXKFSA-N 2 2 337.467 3.451 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422932885 309376810 /nfs/dbraw/zinc/37/68/10/309376810.db2.gz ZYUZCVQMLBCILZ-YRGRVCCFSA-N 2 2 332.366 3.003 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000422943851 309377413 /nfs/dbraw/zinc/37/74/13/309377413.db2.gz YUIJUXCDCTZSDO-XPGWFJOJSA-N 2 2 328.431 3.272 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422949684 309377660 /nfs/dbraw/zinc/37/76/60/309377660.db2.gz VVPVMHXXTXFAKM-KGLIPLIRSA-N 2 2 327.266 3.207 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccco1 ZINC000422973403 309379044 /nfs/dbraw/zinc/37/90/44/309379044.db2.gz OKVBIZOQVRALTR-QXAKKESOSA-N 2 2 329.488 3.211 20 0 EGADLP CCCCCn1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)n1 ZINC000423024845 309381584 /nfs/dbraw/zinc/38/15/84/309381584.db2.gz MUWYKAAZMKKMRJ-UZLBHIALSA-N 2 2 328.504 3.430 20 0 EGADLP Cn1c(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)nc2cccc(Cl)c21 ZINC000423046369 309382820 /nfs/dbraw/zinc/38/28/20/309382820.db2.gz DKPSWKIRSMDKER-GDBMZVCRSA-N 2 2 326.831 3.461 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423049565 309383009 /nfs/dbraw/zinc/38/30/09/309383009.db2.gz KFJAGFXTIDDOMB-AEFFLSMTSA-N 2 2 342.483 3.484 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])CCO2 ZINC000423050574 309383162 /nfs/dbraw/zinc/38/31/62/309383162.db2.gz MKJFGLPJYHUAKR-MDASCCDHSA-N 2 2 326.440 3.067 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423056200 309383309 /nfs/dbraw/zinc/38/33/09/309383309.db2.gz FNLIDAOKZIPNRT-XJKSGUPXSA-N 2 2 342.405 3.094 20 0 EGADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423083430 309385046 /nfs/dbraw/zinc/38/50/46/309385046.db2.gz GBXIADMRWUOMIQ-QXAKKESOSA-N 2 2 344.430 3.332 20 0 EGADLP FC(F)Oc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccn1 ZINC000423111705 309386433 /nfs/dbraw/zinc/38/64/33/309386433.db2.gz WKFZSWZEZFWCEM-HOTGVXAUSA-N 2 2 333.382 3.266 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423114239 309386678 /nfs/dbraw/zinc/38/66/78/309386678.db2.gz ZBHYPAYUWYUCDU-AZUAARDMSA-N 2 2 335.451 3.006 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423161711 309388793 /nfs/dbraw/zinc/38/87/93/309388793.db2.gz ODMHADMNLGXNPM-BEFAXECRSA-N 2 2 338.430 3.060 20 0 EGADLP Fc1cc(Br)ccc1[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423184917 309389517 /nfs/dbraw/zinc/38/95/17/309389517.db2.gz IZMFPWYKYRPOJR-DOMZBBRYSA-N 2 2 327.241 3.381 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284082 309393929 /nfs/dbraw/zinc/39/39/29/309393929.db2.gz XPVKZYHOBSPNPJ-PLACYPQZSA-N 3 2 329.532 3.250 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423284082 309393930 /nfs/dbraw/zinc/39/39/30/309393930.db2.gz XPVKZYHOBSPNPJ-PLACYPQZSA-N 3 2 329.532 3.250 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423286322 309394147 /nfs/dbraw/zinc/39/41/47/309394147.db2.gz GNXOYXRECPGMBK-XUVXKRRUSA-N 3 2 329.532 3.394 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423286322 309394148 /nfs/dbraw/zinc/39/41/48/309394148.db2.gz GNXOYXRECPGMBK-XUVXKRRUSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH3+])c1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000423308054 309394618 /nfs/dbraw/zinc/39/46/18/309394618.db2.gz XGFDOUPBTYBOLZ-HNNXBMFYSA-N 2 2 338.455 3.022 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423305988 309394651 /nfs/dbraw/zinc/39/46/51/309394651.db2.gz CZGMCTKXBDFKKP-DOTOQJQBSA-N 2 2 338.467 3.424 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423304479 309394698 /nfs/dbraw/zinc/39/46/98/309394698.db2.gz NZVYLGNOGXBRSP-HYVNUMGLSA-N 2 2 336.451 3.176 20 0 EGADLP Fc1cc(Br)ccc1[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423304245 309394704 /nfs/dbraw/zinc/39/47/04/309394704.db2.gz NQMADWOFDFDPIU-QGZVFWFLSA-N 2 2 349.247 3.487 20 0 EGADLP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423310255 309394822 /nfs/dbraw/zinc/39/48/22/309394822.db2.gz ROTHPEUYPHWQAT-MEBBXXQBSA-N 2 2 341.224 3.455 20 0 EGADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000423351472 309396607 /nfs/dbraw/zinc/39/66/07/309396607.db2.gz IDNYLFXKAJNCEJ-INIZCTEOSA-N 2 2 330.407 3.248 20 0 EGADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423361750 309397040 /nfs/dbraw/zinc/39/70/40/309397040.db2.gz MNGLSFXATPDRSM-QMTHXVAHSA-N 2 2 327.241 3.307 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)CCC[NH2+]1 ZINC000423413818 309399206 /nfs/dbraw/zinc/39/92/06/309399206.db2.gz BBBAGCJICNDGSW-DYVFJYSZSA-N 2 2 344.471 3.463 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000423414417 309399305 /nfs/dbraw/zinc/39/93/05/309399305.db2.gz MUSSBBCFOHYIMX-NHYWBVRUSA-N 2 2 345.256 3.007 20 0 EGADLP C[C@H]1[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423427072 309399816 /nfs/dbraw/zinc/39/98/16/309399816.db2.gz FQKSXZQNHPTMIJ-VRXWPRPYSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]1[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423427072 309399817 /nfs/dbraw/zinc/39/98/17/309399817.db2.gz FQKSXZQNHPTMIJ-VRXWPRPYSA-N 3 2 327.516 3.017 20 0 EGADLP Clc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423514579 309404121 /nfs/dbraw/zinc/40/41/21/309404121.db2.gz DJASWBILMAOWKG-MOPGFXCFSA-N 2 2 330.859 3.202 20 0 EGADLP FC(F)(F)c1cccc(C2CCC([NH2+]C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000423543963 309405865 /nfs/dbraw/zinc/40/58/65/309405865.db2.gz BYOWZQJYMMBZCL-IMRCBTMISA-N 2 2 342.405 3.310 20 0 EGADLP C[C@H](CCC[NH3+])NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000423675953 309409546 /nfs/dbraw/zinc/40/95/46/309409546.db2.gz FTEKCUVDEDLQSX-OAHLLOKOSA-N 2 2 342.487 3.328 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1I ZINC000424369149 309440585 /nfs/dbraw/zinc/44/05/85/309440585.db2.gz BFAMIHSZUCWDRH-LERXQTSPSA-N 2 2 344.240 3.212 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(F)c1 ZINC000427879861 309537385 /nfs/dbraw/zinc/53/73/85/309537385.db2.gz USPWNCIEZSPWCP-ZYHUDNBSSA-N 2 2 338.224 3.450 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)c(OC)c1 ZINC000430572505 309611176 /nfs/dbraw/zinc/61/11/76/309611176.db2.gz OMXJJFRKLKOICT-SFHVURJKSA-N 2 2 349.500 3.290 20 0 EGADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000430918310 309620841 /nfs/dbraw/zinc/62/08/41/309620841.db2.gz MPWAGBBOOQUIEE-JKSUJKDBSA-N 2 2 339.483 3.089 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000430924121 309621154 /nfs/dbraw/zinc/62/11/54/309621154.db2.gz HLBNMKLOMQWKQP-LLVKDONJSA-N 2 2 344.286 3.252 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000437008804 309785592 /nfs/dbraw/zinc/78/55/92/309785592.db2.gz WBWOYIDSZXIORA-CZUORRHYSA-N 2 2 329.469 3.423 20 0 EGADLP CC[NH+](CC)[C@H](CNc1[nH+]c2cccc(F)c2n1C)c1ccco1 ZINC000443518431 309902436 /nfs/dbraw/zinc/90/24/36/309902436.db2.gz SEWPYTLVUYGRJC-OAHLLOKOSA-N 2 2 330.407 3.222 20 0 EGADLP COC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCC1 ZINC000446746047 309967420 /nfs/dbraw/zinc/96/74/20/309967420.db2.gz VRKHEUANWIWXAU-LJQANCHMSA-N 2 2 327.472 3.269 20 0 EGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024140 310030270 /nfs/dbraw/zinc/03/02/70/310030270.db2.gz YJGDUHVCCVBYKV-HOTGVXAUSA-N 2 2 338.442 3.113 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cc(F)cc(F)c1 ZINC000449024140 310030271 /nfs/dbraw/zinc/03/02/71/310030271.db2.gz YJGDUHVCCVBYKV-HOTGVXAUSA-N 2 2 338.442 3.113 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc2ccccc21 ZINC000449028580 310030908 /nfs/dbraw/zinc/03/09/08/310030908.db2.gz LUOAQQCPJVUUPJ-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc2ccccc21 ZINC000449028580 310030909 /nfs/dbraw/zinc/03/09/09/310030909.db2.gz LUOAQQCPJVUUPJ-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP COCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000449146059 310040176 /nfs/dbraw/zinc/04/01/76/310040176.db2.gz ZSXUHNUJNULJSF-NNZWXOEDSA-N 2 2 331.504 3.087 20 0 EGADLP COCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000449146059 310040177 /nfs/dbraw/zinc/04/01/77/310040177.db2.gz ZSXUHNUJNULJSF-NNZWXOEDSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449385966 310058071 /nfs/dbraw/zinc/05/80/71/310058071.db2.gz GXMZEXRTULBLDL-OWCLPIDISA-N 2 2 347.528 3.225 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449385966 310058072 /nfs/dbraw/zinc/05/80/72/310058072.db2.gz GXMZEXRTULBLDL-OWCLPIDISA-N 2 2 347.528 3.225 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398464 310058856 /nfs/dbraw/zinc/05/88/56/310058856.db2.gz VAVZPKLMOGZPQI-SLTXQBBLSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398464 310058857 /nfs/dbraw/zinc/05/88/57/310058857.db2.gz VAVZPKLMOGZPQI-SLTXQBBLSA-N 2 2 336.442 3.180 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)ccn1 ZINC000449405098 310059270 /nfs/dbraw/zinc/05/92/70/310059270.db2.gz XENSRZIJRUAUOV-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449480879 310065580 /nfs/dbraw/zinc/06/55/80/310065580.db2.gz PNXOQTSLHQJUHD-MISYRCLQSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449480879 310065581 /nfs/dbraw/zinc/06/55/81/310065581.db2.gz PNXOQTSLHQJUHD-MISYRCLQSA-N 2 2 328.500 3.446 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3C)CC2)cc1 ZINC000449520891 310068929 /nfs/dbraw/zinc/06/89/29/310068929.db2.gz FSUWXNZFGVURSM-QRWLVFNGSA-N 2 2 329.488 3.388 20 0 EGADLP COC(=O)[C@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1c1ccccc1 ZINC000449757418 310084885 /nfs/dbraw/zinc/08/48/85/310084885.db2.gz RNOQBAQRMBKXEV-PMACEKPBSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1c1ccccc1 ZINC000449757418 310084886 /nfs/dbraw/zinc/08/48/86/310084886.db2.gz RNOQBAQRMBKXEV-PMACEKPBSA-N 2 2 338.451 3.211 20 0 EGADLP CC1=C(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCC(C)(C)C1 ZINC000450362620 310117994 /nfs/dbraw/zinc/11/79/94/310117994.db2.gz IFAOKMULEZMABH-KRWDZBQOSA-N 2 2 347.547 3.140 20 0 EGADLP CC1=C(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCC(C)(C)C1 ZINC000450362620 310117995 /nfs/dbraw/zinc/11/79/95/310117995.db2.gz IFAOKMULEZMABH-KRWDZBQOSA-N 2 2 347.547 3.140 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134785 /nfs/dbraw/zinc/13/47/85/310134785.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 3 2 344.547 3.493 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134786 /nfs/dbraw/zinc/13/47/86/310134786.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 3 2 344.547 3.493 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134787 /nfs/dbraw/zinc/13/47/87/310134787.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 3 2 344.547 3.493 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643828 310134788 /nfs/dbraw/zinc/13/47/88/310134788.db2.gz ROJXCUFWQIIYLD-NRFANRHFSA-N 3 2 344.547 3.493 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994510 310154176 /nfs/dbraw/zinc/15/41/76/310154176.db2.gz ZFKVHEHBXDTYDX-YLJYHZDGSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994510 310154177 /nfs/dbraw/zinc/15/41/77/310154177.db2.gz ZFKVHEHBXDTYDX-YLJYHZDGSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000450994510 310154178 /nfs/dbraw/zinc/15/41/78/310154178.db2.gz ZFKVHEHBXDTYDX-YLJYHZDGSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000450994510 310154179 /nfs/dbraw/zinc/15/41/79/310154179.db2.gz ZFKVHEHBXDTYDX-YLJYHZDGSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994508 310154192 /nfs/dbraw/zinc/15/41/92/310154192.db2.gz ZFKVHEHBXDTYDX-XLIONFOSSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000450994508 310154193 /nfs/dbraw/zinc/15/41/93/310154193.db2.gz ZFKVHEHBXDTYDX-XLIONFOSSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000450994508 310154194 /nfs/dbraw/zinc/15/41/94/310154194.db2.gz ZFKVHEHBXDTYDX-XLIONFOSSA-N 2 2 330.472 3.198 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000450994508 310154195 /nfs/dbraw/zinc/15/41/95/310154195.db2.gz ZFKVHEHBXDTYDX-XLIONFOSSA-N 2 2 330.472 3.198 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000451022642 310156107 /nfs/dbraw/zinc/15/61/07/310156107.db2.gz DBRZLDGJWWXASR-AWEZNQCLSA-N 2 2 344.484 3.135 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000451022642 310156108 /nfs/dbraw/zinc/15/61/08/310156108.db2.gz DBRZLDGJWWXASR-AWEZNQCLSA-N 2 2 344.484 3.135 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451475973 310180251 /nfs/dbraw/zinc/18/02/51/310180251.db2.gz DTLHXCPETAGOKL-OTWHNJEPSA-N 2 2 325.456 3.474 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453098139 310257679 /nfs/dbraw/zinc/25/76/79/310257679.db2.gz ZVRWWOPQIJIEDB-HBMCJLEFSA-N 3 2 338.499 3.224 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453098139 310257680 /nfs/dbraw/zinc/25/76/80/310257680.db2.gz ZVRWWOPQIJIEDB-HBMCJLEFSA-N 3 2 338.499 3.224 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221333 310264832 /nfs/dbraw/zinc/26/48/32/310264832.db2.gz VCGQEOVVSPLTEU-RTWAWAEBSA-N 2 2 339.483 3.413 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221333 310264833 /nfs/dbraw/zinc/26/48/33/310264833.db2.gz VCGQEOVVSPLTEU-RTWAWAEBSA-N 2 2 339.483 3.413 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453261519 310267645 /nfs/dbraw/zinc/26/76/45/310267645.db2.gz RQRCFEXUGAXUOG-PKOBYXMFSA-N 2 2 334.504 3.219 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453261519 310267646 /nfs/dbraw/zinc/26/76/46/310267646.db2.gz RQRCFEXUGAXUOG-PKOBYXMFSA-N 2 2 334.504 3.219 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000453264273 310267828 /nfs/dbraw/zinc/26/78/28/310267828.db2.gz MMGAZTODRXOAIV-HKUYNNGSSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000453264273 310267829 /nfs/dbraw/zinc/26/78/29/310267829.db2.gz MMGAZTODRXOAIV-HKUYNNGSSA-N 2 2 336.907 3.098 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281382 310269015 /nfs/dbraw/zinc/26/90/15/310269015.db2.gz CTNCRFCTWXQUKS-IEBWSBKVSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281382 310269016 /nfs/dbraw/zinc/26/90/16/310269016.db2.gz CTNCRFCTWXQUKS-IEBWSBKVSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453312502 310270564 /nfs/dbraw/zinc/27/05/64/310270564.db2.gz HDAYRGRLIRLWDU-GGPKGHCWSA-N 2 2 343.515 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453312502 310270565 /nfs/dbraw/zinc/27/05/65/310270565.db2.gz HDAYRGRLIRLWDU-GGPKGHCWSA-N 2 2 343.515 3.231 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393583 310274585 /nfs/dbraw/zinc/27/45/85/310274585.db2.gz VHGRHTUVWVBTCG-IEBWSBKVSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393583 310274586 /nfs/dbraw/zinc/27/45/86/310274586.db2.gz VHGRHTUVWVBTCG-IEBWSBKVSA-N 2 2 345.531 3.213 20 0 EGADLP Cc1cc(C)c(CNC(=O)Nc2ccccc2CC[NH+](C)C)c[nH+]1 ZINC000455234119 310351441 /nfs/dbraw/zinc/35/14/41/310351441.db2.gz UXZPQNJQFMJIDF-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000456381533 310402716 /nfs/dbraw/zinc/40/27/16/310402716.db2.gz MTOOHXMLLQALLJ-OIISXLGYSA-N 2 2 326.444 3.088 20 0 EGADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000474810294 310799895 /nfs/dbraw/zinc/79/98/95/310799895.db2.gz RKMDBSRLCQSAFS-APIJFGDWSA-N 2 2 342.936 3.451 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000484181821 310962977 /nfs/dbraw/zinc/96/29/77/310962977.db2.gz XCJKTDLKSKWLIR-CABCVRRESA-N 2 2 340.895 3.358 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000488419777 311064727 /nfs/dbraw/zinc/06/47/27/311064727.db2.gz HYTFHNKICMYKFM-CVEARBPZSA-N 2 2 328.591 3.468 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000492290158 311234474 /nfs/dbraw/zinc/23/44/74/311234474.db2.gz GNMSFBPMBWRGNY-NVXWUHKLSA-N 2 2 344.528 3.457 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000492290158 311234475 /nfs/dbraw/zinc/23/44/75/311234475.db2.gz GNMSFBPMBWRGNY-NVXWUHKLSA-N 2 2 344.528 3.457 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493124306 311331138 /nfs/dbraw/zinc/33/11/38/311331138.db2.gz WLXCFGQBHFZKGH-YDZSZYSISA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493124306 311331139 /nfs/dbraw/zinc/33/11/39/311331139.db2.gz WLXCFGQBHFZKGH-YDZSZYSISA-N 2 2 338.455 3.114 20 0 EGADLP CC1CC[NH+]([C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)c2cccs2)CC1 ZINC000493771851 311427672 /nfs/dbraw/zinc/42/76/72/311427672.db2.gz OFKIGSPRWSFHCN-MBVDDHJVSA-N 2 2 344.484 3.074 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)c2cccs2)CC1 ZINC000493771852 311427801 /nfs/dbraw/zinc/42/78/01/311427801.db2.gz OFKIGSPRWSFHCN-RGDDUWESSA-N 2 2 344.484 3.074 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000494833005 311515981 /nfs/dbraw/zinc/51/59/81/311515981.db2.gz BDYPHIRELBLZOU-NSHDSACASA-N 2 2 340.652 3.404 20 0 EGADLP COC(=O)Nc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000495617312 311586639 /nfs/dbraw/zinc/58/66/39/311586639.db2.gz PSKCBLDHRMSKCY-UHFFFAOYSA-N 2 2 336.395 3.340 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[NH+](C)C)cc1 ZINC000500082194 311918128 /nfs/dbraw/zinc/91/81/28/311918128.db2.gz NTZIXPYQBVTLSL-APWZRJJASA-N 2 2 333.520 3.088 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482402 312050142 /nfs/dbraw/zinc/05/01/42/312050142.db2.gz SWVHKYYNMSHUQD-RTBURBONSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000506482402 312050143 /nfs/dbraw/zinc/05/01/43/312050143.db2.gz SWVHKYYNMSHUQD-RTBURBONSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482402 312050145 /nfs/dbraw/zinc/05/01/45/312050145.db2.gz SWVHKYYNMSHUQD-RTBURBONSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000506482402 312050146 /nfs/dbraw/zinc/05/01/46/312050146.db2.gz SWVHKYYNMSHUQD-RTBURBONSA-N 2 2 349.563 3.412 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507503578 312075175 /nfs/dbraw/zinc/07/51/75/312075175.db2.gz AOQQISKNDLMORR-RYFAJOAYSA-N 3 2 341.543 3.361 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)O1 ZINC000509153477 312110259 /nfs/dbraw/zinc/11/02/59/312110259.db2.gz LOEMRIHSAWLRAJ-LJQANCHMSA-N 2 2 345.531 3.134 20 0 EGADLP CCN1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985044 312152066 /nfs/dbraw/zinc/15/20/66/312152066.db2.gz YZTMLYQEXHCLNN-YSIASYRMSA-N 2 2 329.532 3.217 20 0 EGADLP CCN1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C)C1 ZINC000510985044 312152068 /nfs/dbraw/zinc/15/20/68/312152068.db2.gz YZTMLYQEXHCLNN-YSIASYRMSA-N 2 2 329.532 3.217 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105313 312225211 /nfs/dbraw/zinc/22/52/11/312225211.db2.gz QMJBDWBUUPZJFQ-MAUKXSAKSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)CCc2ccc(F)cc2F)C1 ZINC000514105313 312225214 /nfs/dbraw/zinc/22/52/14/312225214.db2.gz QMJBDWBUUPZJFQ-MAUKXSAKSA-N 2 2 340.458 3.232 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000514733377 312242655 /nfs/dbraw/zinc/24/26/55/312242655.db2.gz JEKQTIAAOHIBTP-GUXCAODWSA-N 2 2 325.456 3.137 20 0 EGADLP CC(C)c1[nH+]c(CN(C)CC[N@@H+]2CCOC(C)(C)C2)c2ccccn21 ZINC000515305030 312275509 /nfs/dbraw/zinc/27/55/09/312275509.db2.gz HNLGIPIZMDVAKI-UHFFFAOYSA-N 2 2 344.503 3.000 20 0 EGADLP CC(C)c1[nH+]c(CN(C)CC[N@H+]2CCOC(C)(C)C2)c2ccccn21 ZINC000515305030 312275511 /nfs/dbraw/zinc/27/55/11/312275511.db2.gz HNLGIPIZMDVAKI-UHFFFAOYSA-N 2 2 344.503 3.000 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920877 312350984 /nfs/dbraw/zinc/35/09/84/312350984.db2.gz PTCZVDSOPNQNMB-AWEZNQCLSA-N 2 2 325.522 3.031 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CCCO1 ZINC000516920877 312350986 /nfs/dbraw/zinc/35/09/86/312350986.db2.gz PTCZVDSOPNQNMB-AWEZNQCLSA-N 2 2 325.522 3.031 20 0 EGADLP c1cn(CCCC[NH2+]Cc2ccccc2OCc2cccnc2)c[nH+]1 ZINC000517534562 312382298 /nfs/dbraw/zinc/38/22/98/312382298.db2.gz QEQDCSDWXHAWLU-UHFFFAOYSA-N 2 2 336.439 3.427 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000517677513 312387894 /nfs/dbraw/zinc/38/78/94/312387894.db2.gz KZTADSAOEAHJIS-WOJBJXKFSA-N 2 2 349.482 3.481 20 0 EGADLP COc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000517747689 312392072 /nfs/dbraw/zinc/39/20/72/312392072.db2.gz CBUHKNDRYCUPSC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000517747689 312392074 /nfs/dbraw/zinc/39/20/74/312392074.db2.gz CBUHKNDRYCUPSC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000517747689 312392076 /nfs/dbraw/zinc/39/20/76/312392076.db2.gz CBUHKNDRYCUPSC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000517747689 312392078 /nfs/dbraw/zinc/39/20/78/312392078.db2.gz CBUHKNDRYCUPSC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP Cc1[nH]c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c[nH+]1 ZINC000521056486 312530139 /nfs/dbraw/zinc/53/01/39/312530139.db2.gz LNKWRSKWZZFPLB-UHFFFAOYSA-N 2 2 326.444 3.024 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000042681379 454020534 /nfs/dbraw/zinc/02/05/34/454020534.db2.gz WDAMGCIXKVXTDX-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000042681379 454020535 /nfs/dbraw/zinc/02/05/35/454020535.db2.gz WDAMGCIXKVXTDX-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C(C)C)[NH+]3CCCCC3)ccc2n1C ZINC000525211651 312705860 /nfs/dbraw/zinc/70/58/60/312705860.db2.gz VQHGPBLAFHBMKY-SFHVURJKSA-N 2 2 328.460 3.331 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527653308 312899893 /nfs/dbraw/zinc/89/98/93/312899893.db2.gz OUTDHXXPDBJSPS-UHFFFAOYSA-N 2 2 332.822 3.209 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)c(F)c1 ZINC000528420250 313089631 /nfs/dbraw/zinc/08/96/31/313089631.db2.gz YOKNITWPTNNFJT-LLVKDONJSA-N 2 2 336.798 3.020 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)c(F)c1 ZINC000528420250 313089634 /nfs/dbraw/zinc/08/96/34/313089634.db2.gz YOKNITWPTNNFJT-LLVKDONJSA-N 2 2 336.798 3.020 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000528726884 313156669 /nfs/dbraw/zinc/15/66/69/313156669.db2.gz GDIFGHXRSCOHAQ-UHFFFAOYSA-N 2 2 340.870 3.208 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570682 313359201 /nfs/dbraw/zinc/35/92/01/313359201.db2.gz WZLUAJJJOCFRCT-GXFFZTMASA-N 2 2 347.247 3.499 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(F)c1F ZINC000529570682 313359203 /nfs/dbraw/zinc/35/92/03/313359203.db2.gz WZLUAJJJOCFRCT-GXFFZTMASA-N 2 2 347.247 3.499 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570682 313359205 /nfs/dbraw/zinc/35/92/05/313359205.db2.gz WZLUAJJJOCFRCT-GXFFZTMASA-N 2 2 347.247 3.499 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000529570682 313359208 /nfs/dbraw/zinc/35/92/08/313359208.db2.gz WZLUAJJJOCFRCT-GXFFZTMASA-N 2 2 347.247 3.499 20 0 EGADLP C[C@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000529666306 313381374 /nfs/dbraw/zinc/38/13/74/313381374.db2.gz VXDJBONXQYGDFG-OAHLLOKOSA-N 2 2 338.442 3.255 20 0 EGADLP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000531952617 313735271 /nfs/dbraw/zinc/73/52/71/313735271.db2.gz ZBFBVHFWUAIWEX-IEBWSBKVSA-N 2 2 332.488 3.066 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)O[C@H](C)C2 ZINC000535079973 314024293 /nfs/dbraw/zinc/02/42/93/314024293.db2.gz IUPGWURUVKIQEN-ZIAGYGMSSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)O[C@H](C)C2 ZINC000535079973 314024296 /nfs/dbraw/zinc/02/42/96/314024296.db2.gz IUPGWURUVKIQEN-ZIAGYGMSSA-N 2 2 327.428 3.121 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000535313772 314039729 /nfs/dbraw/zinc/03/97/29/314039729.db2.gz KKHRIFFIJZGXCC-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000535313772 314039730 /nfs/dbraw/zinc/03/97/30/314039730.db2.gz KKHRIFFIJZGXCC-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000536948851 314155346 /nfs/dbraw/zinc/15/53/46/314155346.db2.gz CTGFUGJBPPJKJM-QKLQHJQFSA-N 2 2 334.504 3.481 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000536948851 314155347 /nfs/dbraw/zinc/15/53/47/314155347.db2.gz CTGFUGJBPPJKJM-QKLQHJQFSA-N 2 2 334.504 3.481 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000537093864 314161144 /nfs/dbraw/zinc/16/11/44/314161144.db2.gz FFIPNUHGKQOAFD-KRWDZBQOSA-N 2 2 342.405 3.203 20 0 EGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C)[C@@H]1CCOC1 ZINC000537408105 314179228 /nfs/dbraw/zinc/17/92/28/314179228.db2.gz QWLROPAVEFIMEE-MJGOQNOKSA-N 2 2 331.504 3.364 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C ZINC000538121451 314227711 /nfs/dbraw/zinc/22/77/11/314227711.db2.gz WCFWZVALXBMTKV-CQSZACIVSA-N 2 2 343.427 3.407 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000548021229 314962243 /nfs/dbraw/zinc/96/22/43/314962243.db2.gz AKJOTOXAXAYTBF-FPOVZHCZSA-N 2 2 348.450 3.492 20 0 EGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cn2ccccc2n1 ZINC000548385442 315002119 /nfs/dbraw/zinc/00/21/19/315002119.db2.gz BXNLKDGXVBPJTE-QGZVFWFLSA-N 2 2 345.450 3.472 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000548460697 315012842 /nfs/dbraw/zinc/01/28/42/315012842.db2.gz FFYSDYSXEJXNMV-IBGZPJMESA-N 2 2 348.450 3.038 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000548460697 315012844 /nfs/dbraw/zinc/01/28/44/315012844.db2.gz FFYSDYSXEJXNMV-IBGZPJMESA-N 2 2 348.450 3.038 20 0 EGADLP CCc1ccc([C@@H](C[NH2+]CCC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000548826352 315052421 /nfs/dbraw/zinc/05/24/21/315052421.db2.gz YEIXHNORAAMVPU-HXUWFJFHSA-N 2 2 339.483 3.470 20 0 EGADLP C[C@@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)[NH+]1CCCC1 ZINC000548903996 315061915 /nfs/dbraw/zinc/06/19/15/315061915.db2.gz NMPHEMIJXHJQRT-HNNXBMFYSA-N 2 2 325.412 3.088 20 0 EGADLP CC[C@@](C)(O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549164123 315078842 /nfs/dbraw/zinc/07/88/42/315078842.db2.gz ASYBLBSQJRVJCU-BHDDXSALSA-N 2 2 338.495 3.405 20 0 EGADLP CC[C@@](C)(O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549164123 315078845 /nfs/dbraw/zinc/07/88/45/315078845.db2.gz ASYBLBSQJRVJCU-BHDDXSALSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000551813954 315170798 /nfs/dbraw/zinc/17/07/98/315170798.db2.gz VNJNSCLAFJAXMP-ZDUSSCGKSA-N 2 2 338.455 3.300 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214256 /nfs/dbraw/zinc/21/42/56/315214256.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214257 /nfs/dbraw/zinc/21/42/57/315214257.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214261 /nfs/dbraw/zinc/21/42/61/315214261.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 3 2 341.543 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000552337375 315214264 /nfs/dbraw/zinc/21/42/64/315214264.db2.gz RVOSMEATUSJTGE-CIAFKFPVSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccc(Cl)c3)c2cc1C ZINC000554820877 315351068 /nfs/dbraw/zinc/35/10/68/315351068.db2.gz YWOGFSXPPOAATC-KRWDZBQOSA-N 2 2 343.858 3.457 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(c4ccccc4)CC3)c2cc1C ZINC000558751006 315600388 /nfs/dbraw/zinc/60/03/88/315600388.db2.gz XPKCOASBBRCFFI-LJQANCHMSA-N 2 2 349.478 3.335 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942764 315731490 /nfs/dbraw/zinc/73/14/90/315731490.db2.gz AHKAUZUVMBDNFM-GFCCVEGCSA-N 2 2 331.382 3.012 20 0 EGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000563670483 316053253 /nfs/dbraw/zinc/05/32/53/316053253.db2.gz RQRREPLVZFQMMV-SJLPKXTDSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000563670483 316053257 /nfs/dbraw/zinc/05/32/57/316053257.db2.gz RQRREPLVZFQMMV-SJLPKXTDSA-N 2 2 341.455 3.314 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000563748015 316064181 /nfs/dbraw/zinc/06/41/81/316064181.db2.gz OQZBSWKCLMVJTE-WIYYLYMNSA-N 2 2 326.484 3.354 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000563748015 316064184 /nfs/dbraw/zinc/06/41/84/316064184.db2.gz OQZBSWKCLMVJTE-WIYYLYMNSA-N 2 2 326.484 3.354 20 0 EGADLP C[C@H]1[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000563786150 316067902 /nfs/dbraw/zinc/06/79/02/316067902.db2.gz GKVXQRQDUVAESG-MAUKXSAKSA-N 2 2 349.438 3.119 20 0 EGADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000564805120 316208663 /nfs/dbraw/zinc/20/86/63/316208663.db2.gz ZWBGGKAWOFYMKI-GOSISDBHSA-N 2 2 342.487 3.205 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000564826261 316213155 /nfs/dbraw/zinc/21/31/55/316213155.db2.gz IGHJWAJGYZTOIX-MSOLQXFVSA-N 2 2 343.858 3.361 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1)CC(C)C ZINC000565485036 316330543 /nfs/dbraw/zinc/33/05/43/316330543.db2.gz NXDMVNWFBMPBAK-GOSISDBHSA-N 2 2 348.535 3.441 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1)CC(C)C ZINC000565485036 316330546 /nfs/dbraw/zinc/33/05/46/316330546.db2.gz NXDMVNWFBMPBAK-GOSISDBHSA-N 2 2 348.535 3.441 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C3CC3)C3CCC3)c2cc1C ZINC000565874524 316381378 /nfs/dbraw/zinc/38/13/78/316381378.db2.gz KCMMYQPLIQWPLD-PXNSSMCTSA-N 2 2 327.472 3.182 20 0 EGADLP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc2)CC1 ZINC000566080182 316413007 /nfs/dbraw/zinc/41/30/07/316413007.db2.gz IDUFJSRRGDSTAY-UXHICEINSA-N 2 2 339.483 3.235 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000567889412 316688873 /nfs/dbraw/zinc/68/88/73/316688873.db2.gz WFRDSAWXODUCOZ-INIZCTEOSA-N 2 2 349.906 3.217 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570974510 317134753 /nfs/dbraw/zinc/13/47/53/317134753.db2.gz LJFJSGRYLAZZFX-JXFKEZNVSA-N 2 2 340.515 3.298 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000570974510 317134757 /nfs/dbraw/zinc/13/47/57/317134757.db2.gz LJFJSGRYLAZZFX-JXFKEZNVSA-N 2 2 340.515 3.298 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222104 317167684 /nfs/dbraw/zinc/16/76/84/317167684.db2.gz XRRPQSHJLRHLCL-UZLBHIALSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222104 317167687 /nfs/dbraw/zinc/16/76/87/317167687.db2.gz XRRPQSHJLRHLCL-UZLBHIALSA-N 2 2 334.467 3.498 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000572055277 317284384 /nfs/dbraw/zinc/28/43/84/317284384.db2.gz HCNMMVWUJZYKBF-UHFFFAOYSA-N 2 2 340.240 3.386 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000572055277 317284387 /nfs/dbraw/zinc/28/43/87/317284387.db2.gz HCNMMVWUJZYKBF-UHFFFAOYSA-N 2 2 340.240 3.386 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)[C@@H](C)C1 ZINC000337556798 456378954 /nfs/dbraw/zinc/37/89/54/456378954.db2.gz RVTCGVLZRVYRLY-GLQYFDAESA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)[C@@H](C)C1 ZINC000337556798 456378948 /nfs/dbraw/zinc/37/89/48/456378948.db2.gz RVTCGVLZRVYRLY-GLQYFDAESA-N 2 2 339.277 3.203 20 0 EGADLP c1cn(Cc2cccc(-c3nc(CC45CCC[NH+]4CCC5)no3)c2)c[nH+]1 ZINC000351230630 324202294 /nfs/dbraw/zinc/20/22/94/324202294.db2.gz GQXCQKHPMNASMQ-UHFFFAOYSA-N 2 2 349.438 3.152 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(-c2nc(CC34CCC[NH+]3CCC4)no2)c1 ZINC000351243442 324207368 /nfs/dbraw/zinc/20/73/68/324207368.db2.gz MTOAFIYTRUPFPY-UHFFFAOYSA-N 2 2 349.438 3.402 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264575 /nfs/dbraw/zinc/26/45/75/324264575.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 3 2 341.543 3.315 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264578 /nfs/dbraw/zinc/26/45/78/324264578.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264580 /nfs/dbraw/zinc/26/45/80/324264580.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881882 324264583 /nfs/dbraw/zinc/26/45/83/324264583.db2.gz BVKLWVLHIHPCLA-BHDDXSALSA-N 3 2 341.543 3.315 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265055 /nfs/dbraw/zinc/26/50/55/324265055.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 3 2 341.543 3.315 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265058 /nfs/dbraw/zinc/26/50/58/324265058.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265061 /nfs/dbraw/zinc/26/50/61/324265061.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000385881916 324265063 /nfs/dbraw/zinc/26/50/63/324265063.db2.gz BVKLWVLHIHPCLA-YPAWHYETSA-N 3 2 341.543 3.315 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136113 324296313 /nfs/dbraw/zinc/29/63/13/324296313.db2.gz LAMICFOTHMPYEI-FUHWJXTLSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136113 324296319 /nfs/dbraw/zinc/29/63/19/324296319.db2.gz LAMICFOTHMPYEI-FUHWJXTLSA-N 2 2 334.467 3.318 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)CC4(C[NH3+])CC4)cc3)[nH+]c12 ZINC000423348380 324319316 /nfs/dbraw/zinc/31/93/16/324319316.db2.gz STAYCIPDWSTQMU-UHFFFAOYSA-N 2 2 334.423 3.377 20 0 EGADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000575172775 324431188 /nfs/dbraw/zinc/43/11/88/324431188.db2.gz CUOKUCYOXVDXGT-LXZKKBNFSA-N 2 2 332.879 3.141 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)n1C ZINC000579860367 325169397 /nfs/dbraw/zinc/16/93/97/325169397.db2.gz FBHXKWVPHSUSBC-UHFFFAOYSA-N 2 2 326.444 3.147 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(Br)c2Cl)n1C ZINC000579974037 325185852 /nfs/dbraw/zinc/18/58/52/325185852.db2.gz UJWJEDGRETUJCB-UHFFFAOYSA-N 2 2 328.641 3.434 20 0 EGADLP COc1cccc2c1CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000580032608 325191684 /nfs/dbraw/zinc/19/16/84/325191684.db2.gz BSCONVAUQQTIJY-SFHVURJKSA-N 2 2 325.456 3.438 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)s2)cn1 ZINC000580713872 325287319 /nfs/dbraw/zinc/28/73/19/325287319.db2.gz MYUVCNMMQUDQOS-DLBZAZTESA-N 2 2 330.501 3.255 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)s2)cn1 ZINC000580713872 325287321 /nfs/dbraw/zinc/28/73/21/325287321.db2.gz MYUVCNMMQUDQOS-DLBZAZTESA-N 2 2 330.501 3.255 20 0 EGADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OCc1ccncc1 ZINC000581158853 325336216 /nfs/dbraw/zinc/33/62/16/325336216.db2.gz JQMKLSHQACFDKU-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OCc1ccncc1 ZINC000581158853 325336218 /nfs/dbraw/zinc/33/62/18/325336218.db2.gz JQMKLSHQACFDKU-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)CC1CC1 ZINC000581194711 325339960 /nfs/dbraw/zinc/33/99/60/325339960.db2.gz HVKBMBLJTSQHSA-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)CC1CC1 ZINC000581194711 325339963 /nfs/dbraw/zinc/33/99/63/325339963.db2.gz HVKBMBLJTSQHSA-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[NH2+]CC2([NH3+])CCC2)C(C)C)cc1 ZINC000581549127 325371178 /nfs/dbraw/zinc/37/11/78/325371178.db2.gz WKIGSFJMHWELAF-IBGZPJMESA-N 2 2 331.504 3.094 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000581662863 325380561 /nfs/dbraw/zinc/38/05/61/325380561.db2.gz BFMCNURXRODANS-OPYAIIAOSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000581662863 325380562 /nfs/dbraw/zinc/38/05/62/325380562.db2.gz BFMCNURXRODANS-OPYAIIAOSA-N 2 2 326.484 3.261 20 0 EGADLP CCOC(=O)[C@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000582693034 325462217 /nfs/dbraw/zinc/46/22/17/325462217.db2.gz PPVJUCJJGQKEQC-OAQYLSRUSA-N 2 2 340.467 3.433 20 0 EGADLP CCC[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000322764724 456650747 /nfs/dbraw/zinc/65/07/47/456650747.db2.gz DCLOOWSKMRPJRC-UHFFFAOYSA-N 2 2 327.270 3.142 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ncccc1O ZINC000583171866 325500868 /nfs/dbraw/zinc/50/08/68/325500868.db2.gz IWSAZQRZJGITAT-HOTGVXAUSA-N 2 2 325.456 3.033 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000583257670 325508911 /nfs/dbraw/zinc/50/89/11/325508911.db2.gz PCKSIVLVNLFFNA-SIWZUTFBSA-N 2 2 330.394 3.074 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)[C@H](C)C1 ZINC000346595768 457067498 /nfs/dbraw/zinc/06/74/98/457067498.db2.gz DFYKUQVXVYKDNS-OLZOCXBDSA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncc(Cl)s2)[C@H](C)C1 ZINC000346595768 457067505 /nfs/dbraw/zinc/06/75/05/457067505.db2.gz DFYKUQVXVYKDNS-OLZOCXBDSA-N 2 2 331.913 3.023 20 0 EGADLP CSc1cc(Br)ccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425989249 457754158 /nfs/dbraw/zinc/75/41/58/457754158.db2.gz JNYDQECLJCKJNI-BETUJISGSA-N 2 2 341.318 3.164 20 0 EGADLP CSc1cc(Br)ccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425989249 457754165 /nfs/dbraw/zinc/75/41/65/457754165.db2.gz JNYDQECLJCKJNI-BETUJISGSA-N 2 2 341.318 3.164 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000361771123 457849222 /nfs/dbraw/zinc/84/92/22/457849222.db2.gz WDMUNUBTKRDOCM-AGIUHOORSA-N 2 2 326.868 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000361771123 457849226 /nfs/dbraw/zinc/84/92/26/457849226.db2.gz WDMUNUBTKRDOCM-AGIUHOORSA-N 2 2 326.868 3.491 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430554813 458460823 /nfs/dbraw/zinc/46/08/23/458460823.db2.gz NVLJEPNLBPEXOQ-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000424299438 458609751 /nfs/dbraw/zinc/60/97/51/458609751.db2.gz DZEYIBYMYBQSDL-OWYVNGRQSA-N 2 2 330.259 3.180 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000158059121 455263779 /nfs/dbraw/zinc/26/37/79/455263779.db2.gz JCUOTAAKEBVLLV-ZIAGYGMSSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000158059121 455263784 /nfs/dbraw/zinc/26/37/84/455263784.db2.gz JCUOTAAKEBVLLV-ZIAGYGMSSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)on2)cc1 ZINC000600654064 460560487 /nfs/dbraw/zinc/56/04/87/460560487.db2.gz KNCHJXZZZDHKSW-UHFFFAOYSA-N 2 2 338.411 3.384 20 0 EGADLP Fc1cccc(-n2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000600654067 460560626 /nfs/dbraw/zinc/56/06/26/460560626.db2.gz RPEXEWJIZBDXDX-UHFFFAOYSA-N 2 2 325.391 3.045 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000605518562 460596844 /nfs/dbraw/zinc/59/68/44/460596844.db2.gz OMUOZCODTAPWAO-QGZVFWFLSA-N 2 2 339.439 3.478 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)on1 ZINC000623575000 460619430 /nfs/dbraw/zinc/61/94/30/460619430.db2.gz FPLHLFXQYSDEIG-AWEZNQCLSA-N 2 2 329.444 3.313 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)on1 ZINC000623575000 460619435 /nfs/dbraw/zinc/61/94/35/460619435.db2.gz FPLHLFXQYSDEIG-AWEZNQCLSA-N 2 2 329.444 3.313 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783984 455379340 /nfs/dbraw/zinc/37/93/40/455379340.db2.gz UXQCZIAQZSPYHR-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783984 455379344 /nfs/dbraw/zinc/37/93/44/455379344.db2.gz UXQCZIAQZSPYHR-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783984 455379350 /nfs/dbraw/zinc/37/93/50/455379350.db2.gz UXQCZIAQZSPYHR-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245783984 455379356 /nfs/dbraw/zinc/37/93/56/455379356.db2.gz UXQCZIAQZSPYHR-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812127 455382407 /nfs/dbraw/zinc/38/24/07/455382407.db2.gz ZPGDTTCSVUFRKZ-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812127 455382410 /nfs/dbraw/zinc/38/24/10/455382410.db2.gz ZPGDTTCSVUFRKZ-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812127 455382415 /nfs/dbraw/zinc/38/24/15/455382415.db2.gz ZPGDTTCSVUFRKZ-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245812127 455382418 /nfs/dbraw/zinc/38/24/18/455382418.db2.gz ZPGDTTCSVUFRKZ-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP CC[NH+](CC)[C@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccccc1 ZINC000077165608 454069657 /nfs/dbraw/zinc/06/96/57/454069657.db2.gz NHLDAKDCJCMGNP-QGZVFWFLSA-N 2 2 336.443 3.157 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000057592979 454136676 /nfs/dbraw/zinc/13/66/76/454136676.db2.gz JKGSYVGNHLKLDR-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000057592979 454136678 /nfs/dbraw/zinc/13/66/78/454136678.db2.gz JKGSYVGNHLKLDR-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP COc1ccccc1C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000089425241 454147866 /nfs/dbraw/zinc/14/78/66/454147866.db2.gz FONDMMYPKNKUIP-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000089425241 454147876 /nfs/dbraw/zinc/14/78/76/454147876.db2.gz FONDMMYPKNKUIP-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000089425241 454147880 /nfs/dbraw/zinc/14/78/80/454147880.db2.gz FONDMMYPKNKUIP-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000089425241 454147882 /nfs/dbraw/zinc/14/78/82/454147882.db2.gz FONDMMYPKNKUIP-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000119318355 454186195 /nfs/dbraw/zinc/18/61/95/454186195.db2.gz JXKWSKJEBGBGBE-QZTJIDSGSA-N 2 2 331.504 3.485 20 0 EGADLP Cc1ccc(C)c(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000119507621 454199688 /nfs/dbraw/zinc/19/96/88/454199688.db2.gz JNDDBRURMBHZSC-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]CCc3cccc4cccnc43)CC2)c1 ZINC000089807964 454204888 /nfs/dbraw/zinc/20/48/88/454204888.db2.gz UVUDHDKORDYPCI-UHFFFAOYSA-N 2 2 346.478 3.427 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000095422569 454208406 /nfs/dbraw/zinc/20/84/06/454208406.db2.gz IEALJOKXGNGDHJ-OAQYLSRUSA-N 2 2 342.458 3.156 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C[C@@H](C)O1 ZINC000119722433 454215608 /nfs/dbraw/zinc/21/56/08/454215608.db2.gz WAEQIOLJNYRAMO-CHWSQXEVSA-N 2 2 348.459 3.324 20 0 EGADLP CCc1cc(N(C)CCCn2cc[nH+]c2C)nc(-c2ccncc2)[nH+]1 ZINC000120197987 454271135 /nfs/dbraw/zinc/27/11/35/454271135.db2.gz QQZMZVIHGFUWJX-UHFFFAOYSA-N 2 2 336.443 3.132 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000131774311 454284062 /nfs/dbraw/zinc/28/40/62/454284062.db2.gz FEFGPYDNAVMCPD-MNOVXSKESA-N 2 2 347.684 3.150 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000131774311 454284064 /nfs/dbraw/zinc/28/40/64/454284064.db2.gz FEFGPYDNAVMCPD-MNOVXSKESA-N 2 2 347.684 3.150 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060452638 454291135 /nfs/dbraw/zinc/29/11/35/454291135.db2.gz KRADKNDUWGEYNX-QGZVFWFLSA-N 2 2 342.487 3.172 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000090525087 454316358 /nfs/dbraw/zinc/31/63/58/454316358.db2.gz HDRNGVAEJLZWJB-BKTGTZMESA-N 2 2 338.442 3.383 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]cc2C)[NH+]2CCCC2)o1 ZINC000120609688 454325221 /nfs/dbraw/zinc/32/52/21/454325221.db2.gz QJVDCOXQQUNHKV-MRXNPFEDSA-N 2 2 328.416 3.250 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000120643779 454329573 /nfs/dbraw/zinc/32/95/73/454329573.db2.gz AMQIWXUSSYPHOP-BEFAXECRSA-N 2 2 339.439 3.286 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090723895 454339793 /nfs/dbraw/zinc/33/97/93/454339793.db2.gz LSRGQTYDQDBEIG-LAUBAEHRSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090723895 454339797 /nfs/dbraw/zinc/33/97/97/454339797.db2.gz LSRGQTYDQDBEIG-LAUBAEHRSA-N 2 2 339.483 3.399 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090780100 454339847 /nfs/dbraw/zinc/33/98/47/454339847.db2.gz BZFOVRPZJFXVER-HRAATJIYSA-N 2 2 333.435 3.357 20 0 EGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000078937102 454340381 /nfs/dbraw/zinc/34/03/81/454340381.db2.gz NOKNPIIDYIDQEH-QGZVFWFLSA-N 2 2 341.459 3.035 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)CCCn1cc[nH+]c1 ZINC000133050163 454388874 /nfs/dbraw/zinc/38/88/74/454388874.db2.gz SZJATSLKCJHDBO-UHFFFAOYSA-N 2 2 338.411 3.135 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C)cc1 ZINC000097033727 454392204 /nfs/dbraw/zinc/39/22/04/454392204.db2.gz KCIJZDANRGSWHW-ZDUSSCGKSA-N 2 2 336.443 3.037 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1nc2ccccc2n1C ZINC000091282751 454421786 /nfs/dbraw/zinc/42/17/86/454421786.db2.gz NJHIJVDIVAVTDH-CQSZACIVSA-N 2 2 332.411 3.005 20 0 EGADLP O[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000098144172 454461499 /nfs/dbraw/zinc/46/14/99/454461499.db2.gz TVOBIOZZDGOXNB-FCHUYYIVSA-N 2 2 336.479 3.147 20 0 EGADLP O[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000098144172 454461501 /nfs/dbraw/zinc/46/15/01/454461501.db2.gz TVOBIOZZDGOXNB-FCHUYYIVSA-N 2 2 336.479 3.147 20 0 EGADLP O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000098144171 454461605 /nfs/dbraw/zinc/46/16/05/454461605.db2.gz TVOBIOZZDGOXNB-VXKWHMMOSA-N 2 2 336.479 3.147 20 0 EGADLP O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000098144171 454461609 /nfs/dbraw/zinc/46/16/09/454461609.db2.gz TVOBIOZZDGOXNB-VXKWHMMOSA-N 2 2 336.479 3.147 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1nc2c(s1)CCCC2 ZINC000091726543 454461902 /nfs/dbraw/zinc/46/19/02/454461902.db2.gz LXTVAORBSKRIMM-GJZGRUSLSA-N 2 2 349.544 3.173 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143752 454462729 /nfs/dbraw/zinc/46/27/29/454462729.db2.gz YQCKMYURXLJVCR-MGPUTAFESA-N 2 2 344.886 3.410 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143752 454462731 /nfs/dbraw/zinc/46/27/31/454462731.db2.gz YQCKMYURXLJVCR-MGPUTAFESA-N 2 2 344.886 3.410 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC000121729026 454469501 /nfs/dbraw/zinc/46/95/01/454469501.db2.gz XULSQVRWSYQGKV-FQEVSTJZSA-N 2 2 345.531 3.296 20 0 EGADLP COCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000122439339 454532756 /nfs/dbraw/zinc/53/27/56/454532756.db2.gz UKNNEVFVPUZMBM-QUCCMNQESA-N 2 2 345.531 3.479 20 0 EGADLP COCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000122439339 454532757 /nfs/dbraw/zinc/53/27/57/454532757.db2.gz UKNNEVFVPUZMBM-QUCCMNQESA-N 2 2 345.531 3.479 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000104346197 454582888 /nfs/dbraw/zinc/58/28/88/454582888.db2.gz JBYUGRNUASTPRZ-MRXNPFEDSA-N 2 2 332.835 3.339 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000104346197 454582892 /nfs/dbraw/zinc/58/28/92/454582892.db2.gz JBYUGRNUASTPRZ-MRXNPFEDSA-N 2 2 332.835 3.339 20 0 EGADLP CC[NH+](CC)Cc1nc(C2([NH2+]Cc3ccccc3)CCCC2)no1 ZINC000123078311 454599186 /nfs/dbraw/zinc/59/91/86/454599186.db2.gz VBSLAXOMBGCQHH-UHFFFAOYSA-N 2 2 328.460 3.471 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984243 454665504 /nfs/dbraw/zinc/66/55/04/454665504.db2.gz OXBGLVKLKQYSQF-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984243 454665506 /nfs/dbraw/zinc/66/55/06/454665506.db2.gz OXBGLVKLKQYSQF-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080989110 454667081 /nfs/dbraw/zinc/66/70/81/454667081.db2.gz UTKLREAJDUORLN-STQMWFEESA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080989110 454667087 /nfs/dbraw/zinc/66/70/87/454667087.db2.gz UTKLREAJDUORLN-STQMWFEESA-N 2 2 332.835 3.270 20 0 EGADLP CCCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017870 454672010 /nfs/dbraw/zinc/67/20/10/454672010.db2.gz IRXMZNDRPDDROP-LJQANCHMSA-N 2 2 332.488 3.020 20 0 EGADLP CCCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017870 454672011 /nfs/dbraw/zinc/67/20/11/454672011.db2.gz IRXMZNDRPDDROP-LJQANCHMSA-N 2 2 332.488 3.020 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664866 454727010 /nfs/dbraw/zinc/72/70/10/454727010.db2.gz KLGPRMNMSRAMRW-IBGZPJMESA-N 2 2 332.488 3.020 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664866 454727013 /nfs/dbraw/zinc/72/70/13/454727013.db2.gz KLGPRMNMSRAMRW-IBGZPJMESA-N 2 2 332.488 3.020 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093693258 454730098 /nfs/dbraw/zinc/73/00/98/454730098.db2.gz LQGRTDCARPXRCZ-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093693258 454730104 /nfs/dbraw/zinc/73/01/04/454730104.db2.gz LQGRTDCARPXRCZ-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000093742213 454731675 /nfs/dbraw/zinc/73/16/75/454731675.db2.gz DRLMNKAHYLVBDO-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000093742213 454731679 /nfs/dbraw/zinc/73/16/79/454731679.db2.gz DRLMNKAHYLVBDO-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742213 454731682 /nfs/dbraw/zinc/73/16/82/454731682.db2.gz DRLMNKAHYLVBDO-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742213 454731685 /nfs/dbraw/zinc/73/16/85/454731685.db2.gz DRLMNKAHYLVBDO-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742213 454731689 /nfs/dbraw/zinc/73/16/89/454731689.db2.gz DRLMNKAHYLVBDO-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000093742213 454731693 /nfs/dbraw/zinc/73/16/93/454731693.db2.gz DRLMNKAHYLVBDO-SFHVURJKSA-N 2 2 326.488 3.344 20 0 EGADLP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000093866002 454741269 /nfs/dbraw/zinc/74/12/69/454741269.db2.gz IUKBVGTXHNXCQH-HIFRSBDPSA-N 2 2 329.469 3.316 20 0 EGADLP C[C@@H]1CCc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)sc2C1 ZINC000093866002 454741272 /nfs/dbraw/zinc/74/12/72/454741272.db2.gz IUKBVGTXHNXCQH-HIFRSBDPSA-N 2 2 329.469 3.316 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000136627827 454750172 /nfs/dbraw/zinc/75/01/72/454750172.db2.gz UDRRZKUJGKRJFW-MDZDMXLPSA-N 2 2 338.455 3.193 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)ccc1SC ZINC000153276513 454777606 /nfs/dbraw/zinc/77/76/06/454777606.db2.gz DKTLXFKNYPPATR-CABCVRRESA-N 2 2 338.517 3.036 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccc(C)cc1 ZINC000635010709 460654335 /nfs/dbraw/zinc/65/43/35/460654335.db2.gz KZDXTICZVSVJML-WBVHZDCISA-N 2 2 341.503 3.313 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000138178872 454789202 /nfs/dbraw/zinc/78/92/02/454789202.db2.gz OFBOWZCODAZMHD-AZUAARDMSA-N 2 2 326.488 3.334 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877444 454813154 /nfs/dbraw/zinc/81/31/54/454813154.db2.gz HEZDLBGGOCXKOC-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877444 454813156 /nfs/dbraw/zinc/81/31/56/454813156.db2.gz HEZDLBGGOCXKOC-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139877444 454813158 /nfs/dbraw/zinc/81/31/58/454813158.db2.gz HEZDLBGGOCXKOC-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139877444 454813159 /nfs/dbraw/zinc/81/31/59/454813159.db2.gz HEZDLBGGOCXKOC-JJRVBVJISA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239480 454833280 /nfs/dbraw/zinc/83/32/80/454833280.db2.gz FAPXZPGYVLJTOU-DSVUQQCSSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239480 454833281 /nfs/dbraw/zinc/83/32/81/454833281.db2.gz FAPXZPGYVLJTOU-DSVUQQCSSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000163239480 454833282 /nfs/dbraw/zinc/83/32/82/454833282.db2.gz FAPXZPGYVLJTOU-DSVUQQCSSA-N 3 2 329.532 3.358 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000177364634 454856929 /nfs/dbraw/zinc/85/69/29/454856929.db2.gz XYRVVGOMFUTVAP-YESZJQIVSA-N 2 2 348.491 3.041 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154043957 454860457 /nfs/dbraw/zinc/86/04/57/454860457.db2.gz GKWBEKAUBCKFQN-NSISKUIASA-N 2 2 344.524 3.152 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154043957 454860461 /nfs/dbraw/zinc/86/04/61/454860461.db2.gz GKWBEKAUBCKFQN-NSISKUIASA-N 2 2 344.524 3.152 20 0 EGADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)OCCO2 ZINC000163807005 454865265 /nfs/dbraw/zinc/86/52/65/454865265.db2.gz VILSMDQVFRXLTL-INIZCTEOSA-N 2 2 327.428 3.396 20 0 EGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177451935 454865215 /nfs/dbraw/zinc/86/52/15/454865215.db2.gz SQYDKUMPDCFYJP-UHFFFAOYSA-N 2 2 338.455 3.009 20 0 EGADLP COc1ccc2oc(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)cc2c1 ZINC000126310923 454884765 /nfs/dbraw/zinc/88/47/65/454884765.db2.gz DFUXDGHTIHSUKJ-UHFFFAOYSA-N 2 2 346.471 3.420 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@@H+]1C1CC1 ZINC000177939889 454921569 /nfs/dbraw/zinc/92/15/69/454921569.db2.gz FLKYDXBSUUKNPL-OWDMVUQNSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@H+]1C1CC1 ZINC000177939889 454921570 /nfs/dbraw/zinc/92/15/70/454921570.db2.gz FLKYDXBSUUKNPL-OWDMVUQNSA-N 2 2 328.456 3.124 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000177987879 454924640 /nfs/dbraw/zinc/92/46/40/454924640.db2.gz HPDYXMVPZOQUCX-GFCCVEGCSA-N 2 2 347.272 3.207 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000177987879 454924642 /nfs/dbraw/zinc/92/46/42/454924642.db2.gz HPDYXMVPZOQUCX-GFCCVEGCSA-N 2 2 347.272 3.207 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000114198189 454946957 /nfs/dbraw/zinc/94/69/57/454946957.db2.gz PFEOWODDOLIDQD-KRWDZBQOSA-N 2 2 337.467 3.176 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000114198189 454946961 /nfs/dbraw/zinc/94/69/61/454946961.db2.gz PFEOWODDOLIDQD-KRWDZBQOSA-N 2 2 337.467 3.176 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422907 454954100 /nfs/dbraw/zinc/95/41/00/454954100.db2.gz DAUMQVJKAGWXEJ-COXVUDFISA-N 2 2 342.405 3.155 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422907 454954103 /nfs/dbraw/zinc/95/41/03/454954103.db2.gz DAUMQVJKAGWXEJ-COXVUDFISA-N 2 2 342.405 3.155 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422907 454954106 /nfs/dbraw/zinc/95/41/06/454954106.db2.gz DAUMQVJKAGWXEJ-COXVUDFISA-N 2 2 342.405 3.155 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000178422907 454954108 /nfs/dbraw/zinc/95/41/08/454954108.db2.gz DAUMQVJKAGWXEJ-COXVUDFISA-N 2 2 342.405 3.155 20 0 EGADLP Fc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1Br ZINC000127381906 454958539 /nfs/dbraw/zinc/95/85/39/454958539.db2.gz NRHKQFBKXJSHMI-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP CC(C)CCOc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155510238 455010277 /nfs/dbraw/zinc/01/02/77/455010277.db2.gz BTAQUORKNAFZAB-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC(C)CCOc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155510238 455010281 /nfs/dbraw/zinc/01/02/81/455010281.db2.gz BTAQUORKNAFZAB-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151802087 455032226 /nfs/dbraw/zinc/03/22/26/455032226.db2.gz ZNYOPLONPFBLSU-RTWAWAEBSA-N 2 2 342.458 3.286 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000128224452 455036214 /nfs/dbraw/zinc/03/62/14/455036214.db2.gz UHVFDUKEPRETRO-HBGVWJBISA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000128224452 455036218 /nfs/dbraw/zinc/03/62/18/455036218.db2.gz UHVFDUKEPRETRO-HBGVWJBISA-N 2 2 342.458 3.154 20 0 EGADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc2[nH+]ccn2c1 ZINC000171159070 455038173 /nfs/dbraw/zinc/03/81/73/455038173.db2.gz HTGJQVAJPMHDKI-UHFFFAOYSA-N 2 2 334.423 3.225 20 0 EGADLP C[NH+](C)CC[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)(C)C ZINC000116566761 455062203 /nfs/dbraw/zinc/06/22/03/455062203.db2.gz JNYODLUJFZLQIA-CABCVRRESA-N 2 2 335.496 3.013 20 0 EGADLP C[NH+](C)CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000129470690 455112700 /nfs/dbraw/zinc/11/27/00/455112700.db2.gz OWNINALMPPFCJO-UHFFFAOYSA-N 3 2 343.559 3.405 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152457996 455121864 /nfs/dbraw/zinc/12/18/64/455121864.db2.gz JIJPDAHEEXLFIV-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152457996 455121868 /nfs/dbraw/zinc/12/18/68/455121868.db2.gz JIJPDAHEEXLFIV-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152457996 455121869 /nfs/dbraw/zinc/12/18/69/455121869.db2.gz JIJPDAHEEXLFIV-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152457996 455121871 /nfs/dbraw/zinc/12/18/71/455121871.db2.gz JIJPDAHEEXLFIV-DLBZAZTESA-N 2 2 345.531 3.412 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)C2CCOCC2)[NH+]2CCCC2)cc1 ZINC000156681614 455143835 /nfs/dbraw/zinc/14/38/35/455143835.db2.gz OVGIDJBZZLNMEF-OXJNMPFZSA-N 2 2 332.488 3.237 20 0 EGADLP CCc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000157150213 455167707 /nfs/dbraw/zinc/16/77/07/455167707.db2.gz QPNYYPDJTLUAHJ-YJBOKZPZSA-N 2 2 344.528 3.143 20 0 EGADLP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000157150213 455167710 /nfs/dbraw/zinc/16/77/10/455167710.db2.gz QPNYYPDJTLUAHJ-YJBOKZPZSA-N 2 2 344.528 3.143 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000263940520 455168772 /nfs/dbraw/zinc/16/87/72/455168772.db2.gz KKJVMBPYXKDHIM-UHFFFAOYSA-N 2 2 342.487 3.173 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180458633 455173922 /nfs/dbraw/zinc/17/39/22/455173922.db2.gz KWBFVLLPONNTRP-UZLBHIALSA-N 2 2 344.478 3.359 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180458633 455173924 /nfs/dbraw/zinc/17/39/24/455173924.db2.gz KWBFVLLPONNTRP-UZLBHIALSA-N 2 2 344.478 3.359 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180517814 455187741 /nfs/dbraw/zinc/18/77/41/455187741.db2.gz OWZLWMFVBRMYLL-JCYILVPMSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180517814 455187746 /nfs/dbraw/zinc/18/77/46/455187746.db2.gz OWZLWMFVBRMYLL-JCYILVPMSA-N 2 2 339.524 3.286 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158191830 455278699 /nfs/dbraw/zinc/27/86/99/455278699.db2.gz QFWNDZVXRRUNDP-HIFRSBDPSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158191830 455278702 /nfs/dbraw/zinc/27/87/02/455278702.db2.gz QFWNDZVXRRUNDP-HIFRSBDPSA-N 2 2 347.894 3.222 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245455341 455305267 /nfs/dbraw/zinc/30/52/67/455305267.db2.gz SLRUHIOIGCYQDM-NLWGTHIKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245455341 455305270 /nfs/dbraw/zinc/30/52/70/455305270.db2.gz SLRUHIOIGCYQDM-NLWGTHIKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245455341 455305273 /nfs/dbraw/zinc/30/52/73/455305273.db2.gz SLRUHIOIGCYQDM-NLWGTHIKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245455341 455305276 /nfs/dbraw/zinc/30/52/76/455305276.db2.gz SLRUHIOIGCYQDM-NLWGTHIKSA-N 2 2 345.531 3.134 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245465374 455308559 /nfs/dbraw/zinc/30/85/59/455308559.db2.gz YKIHBJLVLVECNB-HKUYNNGSSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245465374 455308563 /nfs/dbraw/zinc/30/85/63/455308563.db2.gz YKIHBJLVLVECNB-HKUYNNGSSA-N 2 2 343.515 3.384 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594144 455313260 /nfs/dbraw/zinc/31/32/60/455313260.db2.gz MJVPFKJXEBOFSA-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594144 455313264 /nfs/dbraw/zinc/31/32/64/455313264.db2.gz MJVPFKJXEBOFSA-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000181753954 455379553 /nfs/dbraw/zinc/37/95/53/455379553.db2.gz GMDHLTWSISGELT-HAGHYFMRSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000181753954 455379556 /nfs/dbraw/zinc/37/95/56/455379556.db2.gz GMDHLTWSISGELT-HAGHYFMRSA-N 2 2 328.500 3.444 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918513 455475786 /nfs/dbraw/zinc/47/57/86/455475786.db2.gz LCLDMRDIBXCQTJ-HUUCEWRRSA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266918513 455475793 /nfs/dbraw/zinc/47/57/93/455475793.db2.gz LCLDMRDIBXCQTJ-HUUCEWRRSA-N 2 2 342.443 3.015 20 0 EGADLP COC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)c(F)c1 ZINC000182310516 455485887 /nfs/dbraw/zinc/48/58/87/455485887.db2.gz BMLIATFUTVTHPG-QGZVFWFLSA-N 2 2 331.366 3.132 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191562988 455496681 /nfs/dbraw/zinc/49/66/81/455496681.db2.gz LZQWKTDNUYMSAX-YLJYHZDGSA-N 2 2 335.451 3.435 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621428 455512656 /nfs/dbraw/zinc/51/26/56/455512656.db2.gz HGMLGTJHQQOYTO-GJZGRUSLSA-N 2 2 342.405 3.421 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621428 455512659 /nfs/dbraw/zinc/51/26/59/455512659.db2.gz HGMLGTJHQQOYTO-GJZGRUSLSA-N 2 2 342.405 3.421 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246822998 455527217 /nfs/dbraw/zinc/52/72/17/455527217.db2.gz BGLWPVOHZMLPHN-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H](C)C1 ZINC000246822998 455527221 /nfs/dbraw/zinc/52/72/21/455527221.db2.gz BGLWPVOHZMLPHN-NHYWBVRUSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941091 455537330 /nfs/dbraw/zinc/53/73/30/455537330.db2.gz UEHVGVSFMXZLNZ-CMKODMSKSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941091 455537332 /nfs/dbraw/zinc/53/73/32/455537332.db2.gz UEHVGVSFMXZLNZ-CMKODMSKSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941091 455537335 /nfs/dbraw/zinc/53/73/35/455537335.db2.gz UEHVGVSFMXZLNZ-CMKODMSKSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246941091 455537337 /nfs/dbraw/zinc/53/73/37/455537337.db2.gz UEHVGVSFMXZLNZ-CMKODMSKSA-N 2 2 349.563 3.266 20 0 EGADLP CC[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000185345721 455544414 /nfs/dbraw/zinc/54/44/14/455544414.db2.gz FONXHPYFEQYDBZ-IBGZPJMESA-N 2 2 348.450 3.071 20 0 EGADLP CC[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000185345721 455544418 /nfs/dbraw/zinc/54/44/18/455544418.db2.gz FONXHPYFEQYDBZ-IBGZPJMESA-N 2 2 348.450 3.071 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000247036953 455548748 /nfs/dbraw/zinc/54/87/48/455548748.db2.gz MOBAIEBYXOENFA-DZFGPLHGSA-N 2 2 339.483 3.269 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000247036953 455548753 /nfs/dbraw/zinc/54/87/53/455548753.db2.gz MOBAIEBYXOENFA-DZFGPLHGSA-N 2 2 339.483 3.269 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000247036965 455548956 /nfs/dbraw/zinc/54/89/56/455548956.db2.gz MOBAIEBYXOENFA-IOMROCGXSA-N 2 2 339.483 3.269 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000247036965 455548957 /nfs/dbraw/zinc/54/89/57/455548957.db2.gz MOBAIEBYXOENFA-IOMROCGXSA-N 2 2 339.483 3.269 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692222 455569773 /nfs/dbraw/zinc/56/97/73/455569773.db2.gz GMQROGQQJHKOMY-NVXWUHKLSA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692222 455569776 /nfs/dbraw/zinc/56/97/76/455569776.db2.gz GMQROGQQJHKOMY-NVXWUHKLSA-N 2 2 332.517 3.435 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000247224615 455575262 /nfs/dbraw/zinc/57/52/62/455575262.db2.gz XWGIYZPRVBICGF-MGPUTAFESA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000247224615 455575263 /nfs/dbraw/zinc/57/52/63/455575263.db2.gz XWGIYZPRVBICGF-MGPUTAFESA-N 2 2 345.437 3.403 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247249664 455578424 /nfs/dbraw/zinc/57/84/24/455578424.db2.gz ZTBOBBWFKUYBKD-RTBURBONSA-N 2 2 343.515 3.378 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000247249664 455578425 /nfs/dbraw/zinc/57/84/25/455578425.db2.gz ZTBOBBWFKUYBKD-RTBURBONSA-N 2 2 343.515 3.378 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000247301642 455585372 /nfs/dbraw/zinc/58/53/72/455585372.db2.gz FKXLUVMPFKAILF-ZIFCJYIRSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000247301642 455585374 /nfs/dbraw/zinc/58/53/74/455585374.db2.gz FKXLUVMPFKAILF-ZIFCJYIRSA-N 2 2 340.471 3.410 20 0 EGADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000271318726 455595491 /nfs/dbraw/zinc/59/54/91/455595491.db2.gz STORXBVKGHTPDU-HOTGVXAUSA-N 2 2 340.471 3.084 20 0 EGADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000271318726 455595493 /nfs/dbraw/zinc/59/54/93/455595493.db2.gz STORXBVKGHTPDU-HOTGVXAUSA-N 2 2 340.471 3.084 20 0 EGADLP Cc1ccsc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356237 455595575 /nfs/dbraw/zinc/59/55/75/455595575.db2.gz AGPOPUGVTHYGPQ-GOSISDBHSA-N 2 2 330.497 3.437 20 0 EGADLP Cc1ccsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356237 455595578 /nfs/dbraw/zinc/59/55/78/455595578.db2.gz AGPOPUGVTHYGPQ-GOSISDBHSA-N 2 2 330.497 3.437 20 0 EGADLP Fc1ccc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354655 455596132 /nfs/dbraw/zinc/59/61/32/455596132.db2.gz KYASRRGKULTFBZ-IBGZPJMESA-N 2 2 346.421 3.346 20 0 EGADLP Fc1ccc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354655 455596136 /nfs/dbraw/zinc/59/61/36/455596136.db2.gz KYASRRGKULTFBZ-IBGZPJMESA-N 2 2 346.421 3.346 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247462844 455604366 /nfs/dbraw/zinc/60/43/66/455604366.db2.gz INMXBXFBNJGSPK-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000247462844 455604368 /nfs/dbraw/zinc/60/43/68/455604368.db2.gz INMXBXFBNJGSPK-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717120 455604635 /nfs/dbraw/zinc/60/46/35/455604635.db2.gz QLNYBZAMYVUALA-ZBFHGGJFSA-N 2 2 343.519 3.233 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717120 455604636 /nfs/dbraw/zinc/60/46/36/455604636.db2.gz QLNYBZAMYVUALA-ZBFHGGJFSA-N 2 2 343.519 3.233 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247465940 455605376 /nfs/dbraw/zinc/60/53/76/455605376.db2.gz IVCHWMAJYLZVMM-FRQCXROJSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247465940 455605379 /nfs/dbraw/zinc/60/53/79/455605379.db2.gz IVCHWMAJYLZVMM-FRQCXROJSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247465940 455605386 /nfs/dbraw/zinc/60/53/86/455605386.db2.gz IVCHWMAJYLZVMM-FRQCXROJSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247465940 455605390 /nfs/dbraw/zinc/60/53/90/455605390.db2.gz IVCHWMAJYLZVMM-FRQCXROJSA-N 2 2 349.494 3.198 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247581016 455628620 /nfs/dbraw/zinc/62/86/20/455628620.db2.gz LWTYUIZNHSMQKO-PBFPGSCMSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247581016 455628623 /nfs/dbraw/zinc/62/86/23/455628623.db2.gz LWTYUIZNHSMQKO-PBFPGSCMSA-N 2 2 348.397 3.071 20 0 EGADLP Clc1cccc(Cl)c1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000186028983 455680047 /nfs/dbraw/zinc/68/00/47/455680047.db2.gz ACRWEJMIHQATGT-UHFFFAOYSA-N 2 2 339.270 3.402 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248186199 455695602 /nfs/dbraw/zinc/69/56/02/455695602.db2.gz XJMSHHVCZXWZPM-KSZLIROESA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248186199 455695608 /nfs/dbraw/zinc/69/56/08/455695608.db2.gz XJMSHHVCZXWZPM-KSZLIROESA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248186199 455695614 /nfs/dbraw/zinc/69/56/14/455695614.db2.gz XJMSHHVCZXWZPM-KSZLIROESA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248186199 455695615 /nfs/dbraw/zinc/69/56/15/455695615.db2.gz XJMSHHVCZXWZPM-KSZLIROESA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000248198276 455697125 /nfs/dbraw/zinc/69/71/25/455697125.db2.gz XUMWZRNWIMTDIQ-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000248198276 455697129 /nfs/dbraw/zinc/69/71/29/455697129.db2.gz XUMWZRNWIMTDIQ-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000248198276 455697134 /nfs/dbraw/zinc/69/71/34/455697134.db2.gz XUMWZRNWIMTDIQ-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000248198276 455697139 /nfs/dbraw/zinc/69/71/39/455697139.db2.gz XUMWZRNWIMTDIQ-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@@H]1C(F)(F)F ZINC000629654832 460849059 /nfs/dbraw/zinc/84/90/59/460849059.db2.gz IOYULYJJTURFHH-YPMHNXCESA-N 2 2 333.423 3.370 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000249390054 455752858 /nfs/dbraw/zinc/75/28/58/455752858.db2.gz FQWFQZBSUNZTMJ-XLIONFOSSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000249390054 455752864 /nfs/dbraw/zinc/75/28/64/455752864.db2.gz FQWFQZBSUNZTMJ-XLIONFOSSA-N 2 2 338.499 3.290 20 0 EGADLP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269045638 455775126 /nfs/dbraw/zinc/77/51/26/455775126.db2.gz WMIIFWZDWOMJIS-SUMWQHHRSA-N 2 2 342.936 3.006 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CC[C@@H]1C(F)(F)F ZINC000629654832 460849066 /nfs/dbraw/zinc/84/90/66/460849066.db2.gz IOYULYJJTURFHH-YPMHNXCESA-N 2 2 333.423 3.370 20 0 EGADLP Brc1cncc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000186618405 455806274 /nfs/dbraw/zinc/80/62/74/455806274.db2.gz DMYMTNJYKRTGFG-UHFFFAOYSA-N 2 2 335.249 3.221 20 0 EGADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285616790 455882873 /nfs/dbraw/zinc/88/28/73/455882873.db2.gz JLULXAIQSSWOGU-SMLSOGCJSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285616790 455882876 /nfs/dbraw/zinc/88/28/76/455882876.db2.gz JLULXAIQSSWOGU-SMLSOGCJSA-N 2 2 343.515 3.057 20 0 EGADLP COc1ccccc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272254922 455893932 /nfs/dbraw/zinc/89/39/32/455893932.db2.gz LADVBKDJKZZMBW-RDJZCZTQSA-N 2 2 340.471 3.404 20 0 EGADLP NC(=O)C[N@H+](CCC1CCCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261394350 455901791 /nfs/dbraw/zinc/90/17/91/455901791.db2.gz REYLLAJDMJFFGB-UHFFFAOYSA-N 2 2 340.471 3.130 20 0 EGADLP NC(=O)C[N@@H+](CCC1CCCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261394350 455901798 /nfs/dbraw/zinc/90/17/98/455901798.db2.gz REYLLAJDMJFFGB-UHFFFAOYSA-N 2 2 340.471 3.130 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Br)cn2)C[C@H]1c1ccccc1 ZINC000261602955 455911177 /nfs/dbraw/zinc/91/11/77/455911177.db2.gz ASCAPMMRLDPJBU-PBHICJAKSA-N 2 2 346.272 3.018 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Br)cn2)C[C@H]1c1ccccc1 ZINC000261602955 455911184 /nfs/dbraw/zinc/91/11/84/455911184.db2.gz ASCAPMMRLDPJBU-PBHICJAKSA-N 2 2 346.272 3.018 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000194996592 455911304 /nfs/dbraw/zinc/91/13/04/455911304.db2.gz SBCZHMJJRVEGPN-BQFCYCMXSA-N 2 2 341.503 3.240 20 0 EGADLP CCCC[C@H](COC)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272342664 455919657 /nfs/dbraw/zinc/91/96/57/455919657.db2.gz ZUCHEKDBXCOYFU-MRXNPFEDSA-N 2 2 334.508 3.229 20 0 EGADLP FC(F)(F)c1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCOCC2)c1 ZINC000280250276 455927880 /nfs/dbraw/zinc/92/78/80/455927880.db2.gz OLEHFEZTQPSXTD-UHFFFAOYSA-N 2 2 325.334 3.224 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000280280728 455935700 /nfs/dbraw/zinc/93/57/00/455935700.db2.gz SFPFSDOQENCKHW-UHFFFAOYSA-N 2 2 340.471 3.040 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000272483868 455965916 /nfs/dbraw/zinc/96/59/16/455965916.db2.gz BJCAFYWCUIHQBZ-UHFFFAOYSA-N 2 2 334.357 3.341 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1scnc1C1CC1)C[C@@H]1CC[NH2+]C1 ZINC000261963928 455979055 /nfs/dbraw/zinc/97/90/55/455979055.db2.gz PPOLMDRHDYRKBW-CYBMUJFWSA-N 2 2 348.541 3.397 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1scnc1C1CC1)C[C@@H]1CC[NH2+]C1 ZINC000261963928 455979060 /nfs/dbraw/zinc/97/90/60/455979060.db2.gz PPOLMDRHDYRKBW-CYBMUJFWSA-N 2 2 348.541 3.397 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC000286199472 455998422 /nfs/dbraw/zinc/99/84/22/455998422.db2.gz DKDQFGSBWFUSJY-KRWDZBQOSA-N 2 2 348.878 3.113 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1 ZINC000286199472 455998424 /nfs/dbraw/zinc/99/84/24/455998424.db2.gz DKDQFGSBWFUSJY-KRWDZBQOSA-N 2 2 348.878 3.113 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)Cc1[nH+]c[nH]c1C)c1ccc(Cl)cc1 ZINC000286199472 455998427 /nfs/dbraw/zinc/99/84/27/455998427.db2.gz DKDQFGSBWFUSJY-KRWDZBQOSA-N 2 2 348.878 3.113 20 0 EGADLP Cc1cccc([C@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272613561 456015100 /nfs/dbraw/zinc/01/51/00/456015100.db2.gz WUGGIORRMNRLFO-MRXNPFEDSA-N 2 2 330.394 3.035 20 0 EGADLP COc1ccccc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272653027 456026789 /nfs/dbraw/zinc/02/67/89/456026789.db2.gz FPUUQLGHLSHUOZ-UHFFFAOYSA-N 2 2 330.394 3.244 20 0 EGADLP COCc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272684881 456038569 /nfs/dbraw/zinc/03/85/69/456038569.db2.gz OWHLCWZTOGVRIX-UHFFFAOYSA-N 2 2 330.394 3.339 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900413 456063072 /nfs/dbraw/zinc/06/30/72/456063072.db2.gz QYTJTNFABQDPJZ-NHCUHLMSSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000270900413 456063078 /nfs/dbraw/zinc/06/30/78/456063078.db2.gz QYTJTNFABQDPJZ-NHCUHLMSSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000270900413 456063084 /nfs/dbraw/zinc/06/30/84/456063084.db2.gz QYTJTNFABQDPJZ-NHCUHLMSSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000270900413 456063088 /nfs/dbraw/zinc/06/30/88/456063088.db2.gz QYTJTNFABQDPJZ-NHCUHLMSSA-N 3 2 338.499 3.178 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000270919683 456066820 /nfs/dbraw/zinc/06/68/20/456066820.db2.gz UZNGYXOUFMYWTJ-KRWDZBQOSA-N 2 2 337.427 3.469 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000270919683 456066828 /nfs/dbraw/zinc/06/68/28/456066828.db2.gz UZNGYXOUFMYWTJ-KRWDZBQOSA-N 2 2 337.427 3.469 20 0 EGADLP C[NH+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000297047737 456101733 /nfs/dbraw/zinc/10/17/33/456101733.db2.gz YGMBMSORKOVDRH-ZWKOTPCHSA-N 2 2 347.503 3.278 20 0 EGADLP O=c1[nH]cccc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000623777773 460714378 /nfs/dbraw/zinc/71/43/78/460714378.db2.gz QUMQMPOOKFEXKC-UHFFFAOYSA-N 2 2 331.847 3.195 20 0 EGADLP Cn1c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccc(Cl)cc21 ZINC000271141438 456139951 /nfs/dbraw/zinc/13/99/51/456139951.db2.gz XOOHVAHLFDBDHT-GFCCVEGCSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccc(Cl)cc21 ZINC000271141438 456139954 /nfs/dbraw/zinc/13/99/54/456139954.db2.gz XOOHVAHLFDBDHT-GFCCVEGCSA-N 2 2 329.835 3.329 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)Cc2ccccc2C)n1-c1ccccc1 ZINC000188923500 456171112 /nfs/dbraw/zinc/17/11/12/456171112.db2.gz KVVUJFAXCYGJGT-LJQANCHMSA-N 2 2 335.451 3.182 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281258966 456181189 /nfs/dbraw/zinc/18/11/89/456181189.db2.gz XTXPHKCKMBVJFE-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000281258966 456181194 /nfs/dbraw/zinc/18/11/94/456181194.db2.gz XTXPHKCKMBVJFE-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP COCc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)no1 ZINC000297335141 456189314 /nfs/dbraw/zinc/18/93/14/456189314.db2.gz DTBUFARUJZUHFA-SFHVURJKSA-N 2 2 343.471 3.213 20 0 EGADLP COCc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000297335141 456189316 /nfs/dbraw/zinc/18/93/16/456189316.db2.gz DTBUFARUJZUHFA-SFHVURJKSA-N 2 2 343.471 3.213 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306742 456196561 /nfs/dbraw/zinc/19/65/61/456196561.db2.gz NEWZLPZHRDQOIF-CVEARBPZSA-N 2 2 332.492 3.159 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306742 456196564 /nfs/dbraw/zinc/19/65/64/456196564.db2.gz NEWZLPZHRDQOIF-CVEARBPZSA-N 2 2 332.492 3.159 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OCC(F)(F)F ZINC000236955004 456209078 /nfs/dbraw/zinc/20/90/78/456209078.db2.gz ZMJXAPNQFVZDLO-CQSZACIVSA-N 2 2 346.393 3.210 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OCC(F)(F)F ZINC000236955004 456209087 /nfs/dbraw/zinc/20/90/87/456209087.db2.gz ZMJXAPNQFVZDLO-CQSZACIVSA-N 2 2 346.393 3.210 20 0 EGADLP O=C(C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1)Nc1ccccc1 ZINC000301859460 456234860 /nfs/dbraw/zinc/23/48/60/456234860.db2.gz FBUBSFDMJJHSFQ-UHFFFAOYSA-N 2 2 349.438 3.078 20 0 EGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nnc(C(C)(C)C)[nH]3)CC2)C1 ZINC000333820703 456266356 /nfs/dbraw/zinc/26/63/56/456266356.db2.gz IXEGKLOTCMORAQ-HOCLYGCPSA-N 2 2 333.524 3.235 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2ccc3occc3c2)[N@H+](Cc2ccccc2)C1 ZINC000352758753 456281470 /nfs/dbraw/zinc/28/14/70/456281470.db2.gz IDPOCOUOHPGEKW-UXHICEINSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2ccc3occc3c2)[N@@H+](Cc2ccccc2)C1 ZINC000352758753 456281476 /nfs/dbraw/zinc/28/14/76/456281476.db2.gz IDPOCOUOHPGEKW-UXHICEINSA-N 2 2 336.435 3.158 20 0 EGADLP C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290313341 456286696 /nfs/dbraw/zinc/28/66/96/456286696.db2.gz NVHSRVBYANNOSY-QMIHWGKISA-N 2 2 335.407 3.018 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000347663769 456289796 /nfs/dbraw/zinc/28/97/96/456289796.db2.gz CEFVMHRRJYWSFX-UHFFFAOYSA-N 2 2 336.439 3.494 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000347663769 456289803 /nfs/dbraw/zinc/28/98/03/456289803.db2.gz CEFVMHRRJYWSFX-UHFFFAOYSA-N 2 2 336.439 3.494 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340175156 456292612 /nfs/dbraw/zinc/29/26/12/456292612.db2.gz JUQVFMWIUAFPPW-AZUAARDMSA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nncn2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340175156 456292618 /nfs/dbraw/zinc/29/26/18/456292618.db2.gz JUQVFMWIUAFPPW-AZUAARDMSA-N 2 2 347.466 3.192 20 0 EGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)nc[nH+]1 ZINC000347706418 456316686 /nfs/dbraw/zinc/31/66/86/456316686.db2.gz XMQBVRCJCJXEOC-UHFFFAOYSA-N 2 2 338.377 3.372 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000337019348 456321148 /nfs/dbraw/zinc/32/11/48/456321148.db2.gz PHEXOOBCVURLOY-CXAGYDPISA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000337019348 456321155 /nfs/dbraw/zinc/32/11/55/456321155.db2.gz PHEXOOBCVURLOY-CXAGYDPISA-N 2 2 328.435 3.166 20 0 EGADLP Cc1cc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)nc(C)[nH+]1 ZINC000302410784 456340584 /nfs/dbraw/zinc/34/05/84/456340584.db2.gz GTRUMQSLCJVFOM-UHFFFAOYSA-N 2 2 337.471 3.369 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255139 456344430 /nfs/dbraw/zinc/34/44/30/456344430.db2.gz UQWTYVLDAZNIEG-RYQLBKOJSA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255139 456344436 /nfs/dbraw/zinc/34/44/36/456344436.db2.gz UQWTYVLDAZNIEG-RYQLBKOJSA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255138 456345441 /nfs/dbraw/zinc/34/54/41/456345441.db2.gz UQWTYVLDAZNIEG-JQHSSLGASA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255138 456345448 /nfs/dbraw/zinc/34/54/48/456345448.db2.gz UQWTYVLDAZNIEG-JQHSSLGASA-N 2 2 339.487 3.101 20 0 EGADLP CC(C)c1ccc(OCC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352834598 456349713 /nfs/dbraw/zinc/34/97/13/456349713.db2.gz YGSSQUGOYGLPQQ-UHFFFAOYSA-N 2 2 333.501 3.497 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000282080380 456407541 /nfs/dbraw/zinc/40/75/41/456407541.db2.gz RCUDHKWYMXYMCQ-UHFFFAOYSA-N 2 2 345.231 3.444 20 0 EGADLP COc1ccc([C@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000347855637 456408188 /nfs/dbraw/zinc/40/81/88/456408188.db2.gz BALIAHPOEYMVPX-HNNXBMFYSA-N 2 2 331.485 3.203 20 0 EGADLP COc1ccc([C@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000347855637 456408197 /nfs/dbraw/zinc/40/81/97/456408197.db2.gz BALIAHPOEYMVPX-HNNXBMFYSA-N 2 2 331.485 3.203 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926575 456417777 /nfs/dbraw/zinc/41/77/77/456417777.db2.gz WHNRAWKJMRNTIM-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352926575 456417784 /nfs/dbraw/zinc/41/77/84/456417784.db2.gz WHNRAWKJMRNTIM-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352926575 456417790 /nfs/dbraw/zinc/41/77/90/456417790.db2.gz WHNRAWKJMRNTIM-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352926575 456417796 /nfs/dbraw/zinc/41/77/96/456417796.db2.gz WHNRAWKJMRNTIM-XYPWUTKMSA-N 2 2 335.879 3.144 20 0 EGADLP Cc1nnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000276246444 456423184 /nfs/dbraw/zinc/42/31/84/456423184.db2.gz PBAUESDAROBDSA-KBPBESRZSA-N 2 2 330.501 3.093 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000298341853 456429763 /nfs/dbraw/zinc/42/97/63/456429763.db2.gz JITVTTZSTWOYOP-MRXNPFEDSA-N 2 2 343.471 3.343 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000298341853 456429765 /nfs/dbraw/zinc/42/97/65/456429765.db2.gz JITVTTZSTWOYOP-MRXNPFEDSA-N 2 2 343.471 3.343 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000352999341 456439003 /nfs/dbraw/zinc/43/90/03/456439003.db2.gz DXECBFNKDJSGJG-HNNXBMFYSA-N 2 2 343.475 3.329 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000352999341 456439007 /nfs/dbraw/zinc/43/90/07/456439007.db2.gz DXECBFNKDJSGJG-HNNXBMFYSA-N 2 2 343.475 3.329 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000282195351 456439237 /nfs/dbraw/zinc/43/92/37/456439237.db2.gz NPYVKBJYJXJHBT-AYBZRNKSSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000282195351 456439244 /nfs/dbraw/zinc/43/92/44/456439244.db2.gz NPYVKBJYJXJHBT-AYBZRNKSSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)nn1C ZINC000282204519 456442811 /nfs/dbraw/zinc/44/28/11/456442811.db2.gz OBIOBHGTOJSEAK-QGZVFWFLSA-N 2 2 326.488 3.352 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)Cn1cc[nH+]c1 ZINC000340437087 456461011 /nfs/dbraw/zinc/46/10/11/456461011.db2.gz SYPIYIZZIOXABR-QGZVFWFLSA-N 2 2 336.439 3.283 20 0 EGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000353050789 456462264 /nfs/dbraw/zinc/46/22/64/456462264.db2.gz WMDTXEVYOGWVPG-XIBWBMNSSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000353050789 456462269 /nfs/dbraw/zinc/46/22/69/456462269.db2.gz WMDTXEVYOGWVPG-XIBWBMNSSA-N 2 2 349.563 3.265 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474005 456481510 /nfs/dbraw/zinc/48/15/10/456481510.db2.gz GBKNXHPAHUONBL-AEFFLSMTSA-N 2 2 327.447 3.436 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474005 456481519 /nfs/dbraw/zinc/48/15/19/456481519.db2.gz GBKNXHPAHUONBL-AEFFLSMTSA-N 2 2 327.447 3.436 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000298549892 456487644 /nfs/dbraw/zinc/48/76/44/456487644.db2.gz UMIOBILLXRRZHQ-UHFFFAOYSA-N 2 2 329.444 3.097 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCN(c4ccccc4F)C3)n2c1 ZINC000290993232 456489860 /nfs/dbraw/zinc/48/98/60/456489860.db2.gz AGIGHPLTJKLPLY-MRXNPFEDSA-N 2 2 338.430 3.398 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(COC)CCC1 ZINC000291057043 456511989 /nfs/dbraw/zinc/51/19/89/456511989.db2.gz COXOSGKBLBJZSQ-UHFFFAOYSA-N 2 2 331.504 3.437 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(COC)CCC1 ZINC000291057043 456511996 /nfs/dbraw/zinc/51/19/96/456511996.db2.gz COXOSGKBLBJZSQ-UHFFFAOYSA-N 2 2 331.504 3.437 20 0 EGADLP CCn1ccnc1[C@@H]1OCCC[C@@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000348172963 456515675 /nfs/dbraw/zinc/51/56/75/456515675.db2.gz HTJWEQBZQQTLPX-ZWKOTPCHSA-N 2 2 328.460 3.049 20 0 EGADLP COC[C@@H](CC(C)(C)C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000651741741 462320917 /nfs/dbraw/zinc/32/09/17/462320917.db2.gz UTTYLQOKSRNGOX-NVXWUHKLSA-N 2 2 334.508 3.085 20 0 EGADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000291210290 456566123 /nfs/dbraw/zinc/56/61/23/456566123.db2.gz VDGAMUCUGLXZCX-CXAGYDPISA-N 2 2 331.847 3.188 20 0 EGADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343399520 456594436 /nfs/dbraw/zinc/59/44/36/456594436.db2.gz PTKMRPSRIRVCIW-KBXCAEBGSA-N 2 2 347.532 3.002 20 0 EGADLP CCCc1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343399520 456594440 /nfs/dbraw/zinc/59/44/40/456594440.db2.gz PTKMRPSRIRVCIW-KBXCAEBGSA-N 2 2 347.532 3.002 20 0 EGADLP Clc1ccc2[nH+]c(CN3CC[NH2+]C[C@H]3c3ccccc3)cn2c1 ZINC000313324675 456596400 /nfs/dbraw/zinc/59/64/00/456596400.db2.gz NGBLUKOOWLYBDO-KRWDZBQOSA-N 2 2 326.831 3.134 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000314509094 456602715 /nfs/dbraw/zinc/60/27/15/456602715.db2.gz MRRHUAGLUTVVPM-HXUWFJFHSA-N 3 2 340.515 3.243 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000314509094 456602725 /nfs/dbraw/zinc/60/27/25/456602725.db2.gz MRRHUAGLUTVVPM-HXUWFJFHSA-N 3 2 340.515 3.243 20 0 EGADLP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000276865303 456603307 /nfs/dbraw/zinc/60/33/07/456603307.db2.gz DEYRZWYNWWJRBL-KRWDZBQOSA-N 2 2 327.403 3.303 20 0 EGADLP C[C@H](c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276881463 456609466 /nfs/dbraw/zinc/60/94/66/456609466.db2.gz GGHYHNXIPCFAAX-HZSPNIEDSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@H](c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276881463 456609473 /nfs/dbraw/zinc/60/94/73/456609473.db2.gz GGHYHNXIPCFAAX-HZSPNIEDSA-N 2 2 338.415 3.251 20 0 EGADLP COCC[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000282777088 456621524 /nfs/dbraw/zinc/62/15/24/456621524.db2.gz PHSOORSUSJXGKD-LPHOPBHVSA-N 2 2 346.519 3.229 20 0 EGADLP Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000343461425 456636684 /nfs/dbraw/zinc/63/66/84/456636684.db2.gz AJMZZRKSNKMMIP-VXKWHMMOSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343461425 456636689 /nfs/dbraw/zinc/63/66/89/456636689.db2.gz AJMZZRKSNKMMIP-VXKWHMMOSA-N 2 2 338.495 3.153 20 0 EGADLP O=C(NCCC[NH+]1CCCCC1)c1ccccc1Oc1cc[nH+]cc1 ZINC000338165103 456678257 /nfs/dbraw/zinc/67/82/57/456678257.db2.gz GTBYVNMXDLXZEM-UHFFFAOYSA-N 2 2 339.439 3.480 20 0 EGADLP CCc1nc(C)c(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000291681738 456718642 /nfs/dbraw/zinc/71/86/42/456718642.db2.gz HTYDBRAYIWUFID-UHFFFAOYSA-N 2 2 345.462 3.481 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000299617348 456745958 /nfs/dbraw/zinc/74/59/58/456745958.db2.gz ZUGHTWOTYFVISQ-UHFFFAOYSA-N 2 2 340.471 3.202 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544157 456747298 /nfs/dbraw/zinc/74/72/98/456747298.db2.gz AUQQHVLQENGWCY-LMMKCTJWSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544157 456747302 /nfs/dbraw/zinc/74/73/02/456747302.db2.gz AUQQHVLQENGWCY-LMMKCTJWSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544157 456747309 /nfs/dbraw/zinc/74/73/09/456747309.db2.gz AUQQHVLQENGWCY-LMMKCTJWSA-N 2 2 349.519 3.117 20 0 EGADLP Cc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cnn1C ZINC000353546034 456748481 /nfs/dbraw/zinc/74/84/81/456748481.db2.gz UEKVVTSVXZMRRM-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cnn1C ZINC000353546034 456748490 /nfs/dbraw/zinc/74/84/90/456748490.db2.gz UEKVVTSVXZMRRM-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cnn1C ZINC000353546034 456748496 /nfs/dbraw/zinc/74/84/96/456748496.db2.gz UEKVVTSVXZMRRM-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cnn1C ZINC000353546034 456748503 /nfs/dbraw/zinc/74/85/03/456748503.db2.gz UEKVVTSVXZMRRM-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902031 456750308 /nfs/dbraw/zinc/75/03/08/456750308.db2.gz SSCCUIVRDZPBIX-GDBMZVCRSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902031 456750310 /nfs/dbraw/zinc/75/03/10/456750310.db2.gz SSCCUIVRDZPBIX-GDBMZVCRSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000340902031 456750316 /nfs/dbraw/zinc/75/03/16/456750316.db2.gz SSCCUIVRDZPBIX-GDBMZVCRSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000340902031 456750322 /nfs/dbraw/zinc/75/03/22/456750322.db2.gz SSCCUIVRDZPBIX-GDBMZVCRSA-N 2 2 334.460 3.099 20 0 EGADLP c1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000348555096 456764114 /nfs/dbraw/zinc/76/41/14/456764114.db2.gz ZIAYHYMELDLYGC-HXUWFJFHSA-N 2 2 341.524 3.140 20 0 EGADLP c1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000348555096 456764122 /nfs/dbraw/zinc/76/41/22/456764122.db2.gz ZIAYHYMELDLYGC-HXUWFJFHSA-N 2 2 341.524 3.140 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277321740 456777169 /nfs/dbraw/zinc/77/71/69/456777169.db2.gz CDXCRYHGBLZTAT-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277321740 456777176 /nfs/dbraw/zinc/77/71/76/456777176.db2.gz CDXCRYHGBLZTAT-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329128 456779713 /nfs/dbraw/zinc/77/97/13/456779713.db2.gz VLSDUUODHUVGDU-HOJAQTOUSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329128 456779724 /nfs/dbraw/zinc/77/97/24/456779724.db2.gz VLSDUUODHUVGDU-HOJAQTOUSA-N 2 2 345.531 3.449 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H]1OCCc2sccc21 ZINC000291890526 456788658 /nfs/dbraw/zinc/78/86/58/456788658.db2.gz KLOWANVAQACVST-KUHUBIRLSA-N 2 2 343.496 3.404 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344301943 456815597 /nfs/dbraw/zinc/81/55/97/456815597.db2.gz RWWCGNHKKVTWFB-NSHGMRRFSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344301943 456815601 /nfs/dbraw/zinc/81/56/01/456815601.db2.gz RWWCGNHKKVTWFB-NSHGMRRFSA-N 2 2 330.516 3.428 20 0 EGADLP CC(=O)N1CC[N@H+](CCCc2ccc(C)[nH+]c2)CC12CCCCC2 ZINC000353655196 456833928 /nfs/dbraw/zinc/83/39/28/456833928.db2.gz XBKUFEPEKKIKKY-UHFFFAOYSA-N 2 2 329.488 3.190 20 0 EGADLP CC(=O)N1CC[N@@H+](CCCc2ccc(C)[nH+]c2)CC12CCCCC2 ZINC000353655196 456833934 /nfs/dbraw/zinc/83/39/34/456833934.db2.gz XBKUFEPEKKIKKY-UHFFFAOYSA-N 2 2 329.488 3.190 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000353680363 456851112 /nfs/dbraw/zinc/85/11/12/456851112.db2.gz UCEBTYVFZYFJLO-DZGCQCFKSA-N 2 2 341.415 3.178 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353704184 456862570 /nfs/dbraw/zinc/86/25/70/456862570.db2.gz ABRXNOTZENIABT-FXAWDEMLSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353704184 456862574 /nfs/dbraw/zinc/86/25/74/456862574.db2.gz ABRXNOTZENIABT-FXAWDEMLSA-N 2 2 332.451 3.209 20 0 EGADLP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000341516549 456873869 /nfs/dbraw/zinc/87/38/69/456873869.db2.gz YKRIGNMMAWJRKZ-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353791931 456908020 /nfs/dbraw/zinc/90/80/20/456908020.db2.gz GRBHOZZLDNCQJF-YJLNNSPDSA-N 2 2 340.471 3.216 20 0 EGADLP c1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000341746902 456925252 /nfs/dbraw/zinc/92/52/52/456925252.db2.gz WFFSJGVNOMLYRV-GOSISDBHSA-N 2 2 337.471 3.326 20 0 EGADLP COCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000339101996 456941321 /nfs/dbraw/zinc/94/13/21/456941321.db2.gz IILHIFYOXLLSHG-SFTDATJTSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000339101996 456941325 /nfs/dbraw/zinc/94/13/25/456941325.db2.gz IILHIFYOXLLSHG-SFTDATJTSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000339101996 456941328 /nfs/dbraw/zinc/94/13/28/456941328.db2.gz IILHIFYOXLLSHG-SFTDATJTSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000339101996 456941332 /nfs/dbraw/zinc/94/13/32/456941332.db2.gz IILHIFYOXLLSHG-SFTDATJTSA-N 2 2 339.483 3.353 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CCN1C1CC[NH+](C)CC1 ZINC000349325599 456943324 /nfs/dbraw/zinc/94/33/24/456943324.db2.gz CVKJLBZXXPVSBV-OAHLLOKOSA-N 2 2 348.560 3.011 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CCN1C1CC[NH+](C)CC1 ZINC000349325599 456943327 /nfs/dbraw/zinc/94/33/27/456943327.db2.gz CVKJLBZXXPVSBV-OAHLLOKOSA-N 2 2 348.560 3.011 20 0 EGADLP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179302 456954953 /nfs/dbraw/zinc/95/49/53/456954953.db2.gz WLXAUPNHSZETOU-VQIMIIECSA-N 2 2 343.471 3.059 20 0 EGADLP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2ccccc2o1 ZINC000345179302 456954956 /nfs/dbraw/zinc/95/49/56/456954956.db2.gz WLXAUPNHSZETOU-VQIMIIECSA-N 2 2 343.471 3.059 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccncc1 ZINC000349370598 456955533 /nfs/dbraw/zinc/95/55/33/456955533.db2.gz RNIQGRSURFZQJH-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1OCc1ccncc1 ZINC000349370598 456955536 /nfs/dbraw/zinc/95/55/36/456955536.db2.gz RNIQGRSURFZQJH-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000353929990 456969940 /nfs/dbraw/zinc/96/99/40/456969940.db2.gz OJSPIYZDVPZRRF-UHFFFAOYSA-N 2 2 330.428 3.138 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H]1C ZINC000353933739 456971031 /nfs/dbraw/zinc/97/10/31/456971031.db2.gz QQDTTZWCHKDFQN-LEAZDLGRSA-N 2 2 344.499 3.391 20 0 EGADLP C[NH+](C)Cc1cccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000349548554 456985290 /nfs/dbraw/zinc/98/52/90/456985290.db2.gz GVSUJZCMMICIMM-UHFFFAOYSA-N 2 2 334.423 3.068 20 0 EGADLP Clc1cnc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000349700071 457020611 /nfs/dbraw/zinc/02/06/11/457020611.db2.gz IEVWSKVNYXACLS-OAHLLOKOSA-N 2 2 335.904 3.451 20 0 EGADLP Clc1cnc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000349700071 457020617 /nfs/dbraw/zinc/02/06/17/457020617.db2.gz IEVWSKVNYXACLS-OAHLLOKOSA-N 2 2 335.904 3.451 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038872 457025727 /nfs/dbraw/zinc/02/57/27/457025727.db2.gz NZLHQQFKPUMRSJ-MSOLQXFVSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038872 457025733 /nfs/dbraw/zinc/02/57/33/457025733.db2.gz NZLHQQFKPUMRSJ-MSOLQXFVSA-N 2 2 337.552 3.124 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106702 457065955 /nfs/dbraw/zinc/06/59/55/457065955.db2.gz KXLMRDFXVRPREZ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106702 457065958 /nfs/dbraw/zinc/06/59/58/457065958.db2.gz KXLMRDFXVRPREZ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106702 457065964 /nfs/dbraw/zinc/06/59/64/457065964.db2.gz KXLMRDFXVRPREZ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000354106702 457065966 /nfs/dbraw/zinc/06/59/66/457065966.db2.gz KXLMRDFXVRPREZ-KRWDZBQOSA-N 2 2 342.462 3.175 20 0 EGADLP C[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)[N@H+](C)Cc1ccccc1 ZINC000342074929 457092925 /nfs/dbraw/zinc/09/29/25/457092925.db2.gz WVBPKARPQFRFEZ-INIZCTEOSA-N 2 2 348.450 3.213 20 0 EGADLP C[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)[N@@H+](C)Cc1ccccc1 ZINC000342074929 457092930 /nfs/dbraw/zinc/09/29/30/457092930.db2.gz WVBPKARPQFRFEZ-INIZCTEOSA-N 2 2 348.450 3.213 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653613 457095031 /nfs/dbraw/zinc/09/50/31/457095031.db2.gz DUSGYZHWHIIZAJ-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653613 457095036 /nfs/dbraw/zinc/09/50/36/457095036.db2.gz DUSGYZHWHIIZAJ-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429284 457113373 /nfs/dbraw/zinc/11/33/73/457113373.db2.gz RKXHSTACSGOUIJ-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429284 457113378 /nfs/dbraw/zinc/11/33/78/457113378.db2.gz RKXHSTACSGOUIJ-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429284 457113382 /nfs/dbraw/zinc/11/33/82/457113382.db2.gz RKXHSTACSGOUIJ-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429284 457113385 /nfs/dbraw/zinc/11/33/85/457113385.db2.gz RKXHSTACSGOUIJ-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000342129086 457124804 /nfs/dbraw/zinc/12/48/04/457124804.db2.gz NCLKZYRYBHMLPO-WDBKCZKBSA-N 2 2 339.270 3.200 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]21 ZINC000342129086 457124809 /nfs/dbraw/zinc/12/48/09/457124809.db2.gz NCLKZYRYBHMLPO-WDBKCZKBSA-N 2 2 339.270 3.200 20 0 EGADLP Cc1nc(N2CC[NH+](CCc3cccs3)CC2)c2c([nH+]1)CCCC2 ZINC000359712673 457124963 /nfs/dbraw/zinc/12/49/63/457124963.db2.gz CFDKNZKFWXVQQK-UHFFFAOYSA-N 2 2 342.512 3.090 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000354204767 457128161 /nfs/dbraw/zinc/12/81/61/457128161.db2.gz OTIRJLKCRFTQAQ-AOIWGVFYSA-N 2 2 331.504 3.011 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000354204767 457128170 /nfs/dbraw/zinc/12/81/70/457128170.db2.gz OTIRJLKCRFTQAQ-AOIWGVFYSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000354204767 457128177 /nfs/dbraw/zinc/12/81/77/457128177.db2.gz OTIRJLKCRFTQAQ-AOIWGVFYSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000354204767 457128183 /nfs/dbraw/zinc/12/81/83/457128183.db2.gz OTIRJLKCRFTQAQ-AOIWGVFYSA-N 2 2 331.504 3.011 20 0 EGADLP COc1ccc(C2([NH2+]C3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC000346735892 457138677 /nfs/dbraw/zinc/13/86/77/457138677.db2.gz TZINFSUZAVADNO-UHFFFAOYSA-N 2 2 337.467 3.334 20 0 EGADLP CCOC(=O)CCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339662308 457199584 /nfs/dbraw/zinc/19/95/84/457199584.db2.gz XWECIFGAGKYWJC-INIZCTEOSA-N 2 2 329.444 3.152 20 0 EGADLP CCOC(=O)CCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339662308 457199585 /nfs/dbraw/zinc/19/95/85/457199585.db2.gz XWECIFGAGKYWJC-INIZCTEOSA-N 2 2 329.444 3.152 20 0 EGADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+](CC)C(C)C ZINC000354416152 457208213 /nfs/dbraw/zinc/20/82/13/457208213.db2.gz VJUNUIUDEGOBRM-UHFFFAOYSA-N 2 2 344.503 3.225 20 0 EGADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+](CC)C(C)C ZINC000354416152 457208220 /nfs/dbraw/zinc/20/82/20/457208220.db2.gz VJUNUIUDEGOBRM-UHFFFAOYSA-N 2 2 344.503 3.225 20 0 EGADLP Fc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347065985 457212807 /nfs/dbraw/zinc/21/28/07/457212807.db2.gz AJNNCGZZNJGDCR-OAHLLOKOSA-N 2 2 336.794 3.406 20 0 EGADLP Fc1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347065985 457212813 /nfs/dbraw/zinc/21/28/13/457212813.db2.gz AJNNCGZZNJGDCR-OAHLLOKOSA-N 2 2 336.794 3.406 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CCC([NH2+]CC3CC3)CC1)OCCO2 ZINC000347125003 457241774 /nfs/dbraw/zinc/24/17/74/457241774.db2.gz XIELOAJENBAKIH-UHFFFAOYSA-N 2 2 348.512 3.144 20 0 EGADLP CCC[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CC[NH2+]C1 ZINC000347139974 457252729 /nfs/dbraw/zinc/25/27/29/457252729.db2.gz VRLPDDFDNBBQQU-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CC[NH2+]C1 ZINC000347139974 457252735 /nfs/dbraw/zinc/25/27/35/457252735.db2.gz VRLPDDFDNBBQQU-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCOC(=O)CC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000347167716 457267416 /nfs/dbraw/zinc/26/74/16/457267416.db2.gz MUXOPDQNEKLGPL-SFHVURJKSA-N 2 2 332.488 3.002 20 0 EGADLP CCOC(=O)CC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000347167716 457267419 /nfs/dbraw/zinc/26/74/19/457267419.db2.gz MUXOPDQNEKLGPL-SFHVURJKSA-N 2 2 332.488 3.002 20 0 EGADLP Cn1cc[nH+]c1[C@H](NCC[N@H+](C)C1CCCC1)c1cccc(F)c1 ZINC000357029241 457285981 /nfs/dbraw/zinc/28/59/81/457285981.db2.gz SHVMBOXLWIEPPZ-GOSISDBHSA-N 2 2 330.451 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@H](NCC[N@@H+](C)C1CCCC1)c1cccc(F)c1 ZINC000357029241 457285985 /nfs/dbraw/zinc/28/59/85/457285985.db2.gz SHVMBOXLWIEPPZ-GOSISDBHSA-N 2 2 330.451 3.113 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000339819146 457289327 /nfs/dbraw/zinc/28/93/27/457289327.db2.gz FVUWIDIHIJRZCP-KRWDZBQOSA-N 2 2 325.456 3.105 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000339819146 457289332 /nfs/dbraw/zinc/28/93/32/457289332.db2.gz FVUWIDIHIJRZCP-KRWDZBQOSA-N 2 2 325.456 3.105 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000357112959 457329820 /nfs/dbraw/zinc/32/98/20/457329820.db2.gz SNHIHLIXIXMSKP-UHFFFAOYSA-N 2 2 342.487 3.375 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357132876 457338931 /nfs/dbraw/zinc/33/89/31/457338931.db2.gz NSERDMXYARAADO-YPMHNXCESA-N 2 2 341.318 3.212 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357132876 457338933 /nfs/dbraw/zinc/33/89/33/457338933.db2.gz NSERDMXYARAADO-YPMHNXCESA-N 2 2 341.318 3.212 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000360796420 457357955 /nfs/dbraw/zinc/35/79/55/457357955.db2.gz GJLAYGRSINZAFJ-IRXDYDNUSA-N 2 2 349.523 3.260 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000360796420 457357959 /nfs/dbraw/zinc/35/79/59/457357959.db2.gz GJLAYGRSINZAFJ-IRXDYDNUSA-N 2 2 349.523 3.260 20 0 EGADLP CCc1nnc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447851 457373291 /nfs/dbraw/zinc/37/32/91/457373291.db2.gz OVGBAZQYBMXDFV-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447851 457373298 /nfs/dbraw/zinc/37/32/98/457373298.db2.gz OVGBAZQYBMXDFV-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447851 457373303 /nfs/dbraw/zinc/37/33/03/457373303.db2.gz OVGBAZQYBMXDFV-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447851 457373308 /nfs/dbraw/zinc/37/33/08/457373308.db2.gz OVGBAZQYBMXDFV-JQHSSLGASA-N 2 2 340.471 3.147 20 0 EGADLP c1ccc2ncc(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)cc2c1 ZINC000360854904 457387132 /nfs/dbraw/zinc/38/71/32/457387132.db2.gz DBOQTHAIMXWNAQ-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105723 457438944 /nfs/dbraw/zinc/43/89/44/457438944.db2.gz IHZNCQZNYHXKSM-PBHICJAKSA-N 2 2 348.450 3.290 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105723 457438951 /nfs/dbraw/zinc/43/89/51/457438951.db2.gz IHZNCQZNYHXKSM-PBHICJAKSA-N 2 2 348.450 3.290 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC000360958401 457465843 /nfs/dbraw/zinc/46/58/43/457465843.db2.gz SYNQUZARZAUURW-HUUCEWRRSA-N 2 2 332.448 3.320 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000342789808 457530863 /nfs/dbraw/zinc/53/08/63/457530863.db2.gz YCXUMGHGHZRVDD-WOJBJXKFSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000342789808 457530868 /nfs/dbraw/zinc/53/08/68/457530868.db2.gz YCXUMGHGHZRVDD-WOJBJXKFSA-N 2 2 338.499 3.215 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)s1 ZINC000347593230 457535657 /nfs/dbraw/zinc/53/56/57/457535657.db2.gz RNJGUAFRULBYDD-UHFFFAOYSA-N 2 2 329.469 3.200 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)s1 ZINC000347593230 457535660 /nfs/dbraw/zinc/53/56/60/457535660.db2.gz RNJGUAFRULBYDD-UHFFFAOYSA-N 2 2 329.469 3.200 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063380 457556894 /nfs/dbraw/zinc/55/68/94/457556894.db2.gz PYALJWWKMAAEJM-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072466 457563923 /nfs/dbraw/zinc/56/39/23/457563923.db2.gz DMXSRYJUWHIVFD-MRXNPFEDSA-N 2 2 334.508 3.069 20 0 EGADLP COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352738396 457570289 /nfs/dbraw/zinc/57/02/89/457570289.db2.gz MNDXMBFGUHVHED-FZKQIMNGSA-N 2 2 349.500 3.079 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(F)c1 ZINC000352751703 457581729 /nfs/dbraw/zinc/58/17/29/457581729.db2.gz WFGVZHHXYRZMNR-AWEZNQCLSA-N 2 2 337.464 3.291 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1)CCC2 ZINC000374512357 457645326 /nfs/dbraw/zinc/64/53/26/457645326.db2.gz BQCHQOYPBIIEKQ-KRWDZBQOSA-N 2 2 335.455 3.259 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209174 457646558 /nfs/dbraw/zinc/64/65/58/457646558.db2.gz QLUJVYQLWKWURC-IRXDYDNUSA-N 2 2 337.895 3.111 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209174 457646560 /nfs/dbraw/zinc/64/65/60/457646560.db2.gz QLUJVYQLWKWURC-IRXDYDNUSA-N 2 2 337.895 3.111 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000374574533 457663658 /nfs/dbraw/zinc/66/36/58/457663658.db2.gz ICIJUFQQVLBMEJ-NVXWUHKLSA-N 2 2 336.443 3.000 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000364758655 457687973 /nfs/dbraw/zinc/68/79/73/457687973.db2.gz KMAINOJVVXAJII-DQPZFDDXSA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)CC2)n1 ZINC000364758655 457687974 /nfs/dbraw/zinc/68/79/74/457687974.db2.gz KMAINOJVVXAJII-DQPZFDDXSA-N 2 2 332.492 3.265 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c(F)c1 ZINC000370668858 457695791 /nfs/dbraw/zinc/69/57/91/457695791.db2.gz AASWHLJISMUJHR-CYBMUJFWSA-N 2 2 326.375 3.266 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425989249 457754146 /nfs/dbraw/zinc/75/41/46/457754146.db2.gz JNYDQECLJCKJNI-BETUJISGSA-N 2 2 341.318 3.164 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425989249 457754154 /nfs/dbraw/zinc/75/41/54/457754154.db2.gz JNYDQECLJCKJNI-BETUJISGSA-N 2 2 341.318 3.164 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000371085883 457784475 /nfs/dbraw/zinc/78/44/75/457784475.db2.gz HOLKVDNNNORMPJ-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000371085883 457784481 /nfs/dbraw/zinc/78/44/81/457784481.db2.gz HOLKVDNNNORMPJ-JTQLQIEISA-N 2 2 326.263 3.234 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ncc(Br)s1 ZINC000371118014 457795243 /nfs/dbraw/zinc/79/52/43/457795243.db2.gz IIWOPBUVUVMIHX-HBNTYKKESA-N 2 2 330.295 3.183 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ncc(Br)s1 ZINC000371118014 457795247 /nfs/dbraw/zinc/79/52/47/457795247.db2.gz IIWOPBUVUVMIHX-HBNTYKKESA-N 2 2 330.295 3.183 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366460549 457815445 /nfs/dbraw/zinc/81/54/45/457815445.db2.gz XIUIJNKFOKAXAK-NVXWUHKLSA-N 2 2 341.455 3.363 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000366486590 457827062 /nfs/dbraw/zinc/82/70/62/457827062.db2.gz YFQBOOXDFMEMOZ-SFHVURJKSA-N 2 2 325.456 3.167 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000366486590 457827067 /nfs/dbraw/zinc/82/70/67/457827067.db2.gz YFQBOOXDFMEMOZ-SFHVURJKSA-N 2 2 325.456 3.167 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749383 457831405 /nfs/dbraw/zinc/83/14/05/457831405.db2.gz DQBMESCROJVFFV-HEHGZKQESA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749383 457831410 /nfs/dbraw/zinc/83/14/10/457831410.db2.gz DQBMESCROJVFFV-HEHGZKQESA-N 2 2 347.894 3.362 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000358173042 457834339 /nfs/dbraw/zinc/83/43/39/457834339.db2.gz ITTFPUXUTSTCKU-HXUWFJFHSA-N 2 2 343.446 3.162 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295598 457852923 /nfs/dbraw/zinc/85/29/23/457852923.db2.gz STYNDXFCLYLEPF-BRWVUGGUSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295598 457852928 /nfs/dbraw/zinc/85/29/28/457852928.db2.gz STYNDXFCLYLEPF-BRWVUGGUSA-N 2 2 347.484 3.087 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c[nH+]1 ZINC000371318442 457863271 /nfs/dbraw/zinc/86/32/71/457863271.db2.gz WTIVGKFJSHBUFR-ZWKOTPCHSA-N 2 2 344.503 3.239 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c[nH+]1 ZINC000371318442 457863279 /nfs/dbraw/zinc/86/32/79/457863279.db2.gz WTIVGKFJSHBUFR-ZWKOTPCHSA-N 2 2 344.503 3.239 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000371331407 457870668 /nfs/dbraw/zinc/87/06/68/457870668.db2.gz HMRFRDWVJQAZGS-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000371331407 457870673 /nfs/dbraw/zinc/87/06/73/457870673.db2.gz HMRFRDWVJQAZGS-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411428322 457886682 /nfs/dbraw/zinc/88/66/82/457886682.db2.gz OUJVTTGPJKKUGX-SFHVURJKSA-N 2 2 327.472 3.370 20 0 EGADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411428322 457886690 /nfs/dbraw/zinc/88/66/90/457886690.db2.gz OUJVTTGPJKKUGX-SFHVURJKSA-N 2 2 327.472 3.370 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1Cl ZINC000375344242 457889596 /nfs/dbraw/zinc/88/95/96/457889596.db2.gz CBXRXUFABBFJCJ-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)ccc1Cl ZINC000375344242 457889601 /nfs/dbraw/zinc/88/96/01/457889601.db2.gz CBXRXUFABBFJCJ-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411640177 457936105 /nfs/dbraw/zinc/93/61/05/457936105.db2.gz VEZYYIFRNMMYLS-UZUQRXQVSA-N 2 2 334.529 3.015 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCCC(C)C ZINC000427113784 457944984 /nfs/dbraw/zinc/94/49/84/457944984.db2.gz LJAVOLTUAGSZRJ-ROUUACIJSA-N 2 2 332.488 3.304 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCCC(C)C ZINC000427113784 457944991 /nfs/dbraw/zinc/94/49/91/457944991.db2.gz LJAVOLTUAGSZRJ-ROUUACIJSA-N 2 2 332.488 3.304 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766589 457974323 /nfs/dbraw/zinc/97/43/23/457974323.db2.gz KEWXACNGVXUHKF-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766589 457974326 /nfs/dbraw/zinc/97/43/26/457974326.db2.gz KEWXACNGVXUHKF-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766589 457974329 /nfs/dbraw/zinc/97/43/29/457974329.db2.gz KEWXACNGVXUHKF-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766589 457974332 /nfs/dbraw/zinc/97/43/32/457974332.db2.gz KEWXACNGVXUHKF-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ncc(Br)cc1F ZINC000427689430 458022500 /nfs/dbraw/zinc/02/25/00/458022500.db2.gz IHPSUHWOSVYZHC-NHCYSSNCSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ncc(Br)cc1F ZINC000427689430 458022505 /nfs/dbraw/zinc/02/25/05/458022505.db2.gz IHPSUHWOSVYZHC-NHCYSSNCSA-N 2 2 330.245 3.117 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc3C2)CC1 ZINC000371676214 458028435 /nfs/dbraw/zinc/02/84/35/458028435.db2.gz NFDZQWCXGSSIMM-CQSZACIVSA-N 2 2 342.405 3.244 20 0 EGADLP CCC(=O)Nc1ccc(-c2csc(C[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000434658724 458031199 /nfs/dbraw/zinc/03/11/99/458031199.db2.gz HWCHRMXQLDFNBG-UHFFFAOYSA-N 2 2 344.484 3.082 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688875 458035535 /nfs/dbraw/zinc/03/55/35/458035535.db2.gz QNEUCMSMUXZHGS-INIZCTEOSA-N 2 2 346.519 3.094 20 0 EGADLP Fc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000427869402 458045474 /nfs/dbraw/zinc/04/54/74/458045474.db2.gz WJAALWOWISDUJP-HNAYVOBHSA-N 2 2 340.377 3.250 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000427870411 458046456 /nfs/dbraw/zinc/04/64/56/458046456.db2.gz YDTQISDGNGSEHM-YPMHNXCESA-N 2 2 329.835 3.089 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032179 458069484 /nfs/dbraw/zinc/06/94/84/458069484.db2.gz JJFVEUVOLSPRBQ-BBRMVZONSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032179 458069490 /nfs/dbraw/zinc/06/94/90/458069490.db2.gz JJFVEUVOLSPRBQ-BBRMVZONSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435247688 458108664 /nfs/dbraw/zinc/10/86/64/458108664.db2.gz XTIQGIXSMMIGBD-INIZCTEOSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435247688 458108671 /nfs/dbraw/zinc/10/86/71/458108671.db2.gz XTIQGIXSMMIGBD-INIZCTEOSA-N 2 2 346.272 3.324 20 0 EGADLP C[C@@H]1C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@H]1[NH3+] ZINC000435372333 458122500 /nfs/dbraw/zinc/12/25/00/458122500.db2.gz JONCGJOPHLCGBO-BXUZGUMPSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@H]1[NH3+] ZINC000435372333 458122506 /nfs/dbraw/zinc/12/25/06/458122506.db2.gz JONCGJOPHLCGBO-BXUZGUMPSA-N 2 2 349.276 3.008 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1cccs1 ZINC000435375025 458125163 /nfs/dbraw/zinc/12/51/63/458125163.db2.gz YZPKRVRBIMLKJG-OAHLLOKOSA-N 2 2 332.469 3.259 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1cccs1 ZINC000435375025 458125169 /nfs/dbraw/zinc/12/51/69/458125169.db2.gz YZPKRVRBIMLKJG-OAHLLOKOSA-N 2 2 332.469 3.259 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435381671 458130298 /nfs/dbraw/zinc/13/02/98/458130298.db2.gz VGZSYFALBLYIPH-JCGIZDLHSA-N 2 2 343.496 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435381671 458130302 /nfs/dbraw/zinc/13/03/02/458130302.db2.gz VGZSYFALBLYIPH-JCGIZDLHSA-N 2 2 343.496 3.200 20 0 EGADLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000435389189 458134088 /nfs/dbraw/zinc/13/40/88/458134088.db2.gz KZLRBGMLQDEDET-CQSZACIVSA-N 2 2 332.419 3.192 20 0 EGADLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000435389189 458134093 /nfs/dbraw/zinc/13/40/93/458134093.db2.gz KZLRBGMLQDEDET-CQSZACIVSA-N 2 2 332.419 3.192 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000428423235 458139855 /nfs/dbraw/zinc/13/98/55/458139855.db2.gz TURLZUJGBQDLDS-CALCHBBNSA-N 2 2 348.535 3.097 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000428423235 458139859 /nfs/dbraw/zinc/13/98/59/458139859.db2.gz TURLZUJGBQDLDS-CALCHBBNSA-N 2 2 348.535 3.097 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000358677998 458145369 /nfs/dbraw/zinc/14/53/69/458145369.db2.gz JXGUCFXAWNEEFA-IBGZPJMESA-N 2 2 334.423 3.243 20 0 EGADLP CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335817 458177788 /nfs/dbraw/zinc/17/77/88/458177788.db2.gz UBUUQWZEEIOVPO-RTBURBONSA-N 2 2 349.563 3.268 20 0 EGADLP CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335817 458177789 /nfs/dbraw/zinc/17/77/89/458177789.db2.gz UBUUQWZEEIOVPO-RTBURBONSA-N 2 2 349.563 3.268 20 0 EGADLP CCc1noc(C)c1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688217 458184953 /nfs/dbraw/zinc/18/49/53/458184953.db2.gz MZERWOZIVVTDDW-MRXNPFEDSA-N 2 2 346.500 3.146 20 0 EGADLP CCc1noc(C)c1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688217 458184962 /nfs/dbraw/zinc/18/49/62/458184962.db2.gz MZERWOZIVVTDDW-MRXNPFEDSA-N 2 2 346.500 3.146 20 0 EGADLP c1cc(C[N@@H+](Cc2nc(C3CC3)no2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690548 458185093 /nfs/dbraw/zinc/18/50/93/458185093.db2.gz CZRVCBAVGSOSPP-OAHLLOKOSA-N 2 2 344.484 3.153 20 0 EGADLP c1cc(C[N@H+](Cc2nc(C3CC3)no2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435690548 458185099 /nfs/dbraw/zinc/18/50/99/458185099.db2.gz CZRVCBAVGSOSPP-OAHLLOKOSA-N 2 2 344.484 3.153 20 0 EGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369356956 458186099 /nfs/dbraw/zinc/18/60/99/458186099.db2.gz DCZMUMKOACMDOS-GDBMZVCRSA-N 2 2 339.886 3.252 20 0 EGADLP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369356956 458186105 /nfs/dbraw/zinc/18/61/05/458186105.db2.gz DCZMUMKOACMDOS-GDBMZVCRSA-N 2 2 339.886 3.252 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000435879810 458217801 /nfs/dbraw/zinc/21/78/01/458217801.db2.gz FKFQGMAKYFCWFA-CQSZACIVSA-N 2 2 344.240 3.038 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000435879810 458217807 /nfs/dbraw/zinc/21/78/07/458217807.db2.gz FKFQGMAKYFCWFA-CQSZACIVSA-N 2 2 344.240 3.038 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)c1ccc(Cl)cc1 ZINC000358823694 458240898 /nfs/dbraw/zinc/24/08/98/458240898.db2.gz IPKPYAQZUOIBJI-INIZCTEOSA-N 2 2 334.851 3.184 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)c1c[nH+]c(C)[nH]1)c1ccc(Cl)cc1 ZINC000358823694 458240906 /nfs/dbraw/zinc/24/09/06/458240906.db2.gz IPKPYAQZUOIBJI-INIZCTEOSA-N 2 2 334.851 3.184 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364204 458290326 /nfs/dbraw/zinc/29/03/26/458290326.db2.gz DSBIFXONWJHXTF-YJBOKZPZSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364204 458290333 /nfs/dbraw/zinc/29/03/33/458290333.db2.gz DSBIFXONWJHXTF-YJBOKZPZSA-N 2 2 326.488 3.432 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376424643 458296525 /nfs/dbraw/zinc/29/65/25/458296525.db2.gz GLKYKPSIYUQMCW-QGZVFWFLSA-N 2 2 334.508 3.028 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376424643 458296530 /nfs/dbraw/zinc/29/65/30/458296530.db2.gz GLKYKPSIYUQMCW-QGZVFWFLSA-N 2 2 334.508 3.028 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000372675153 458314847 /nfs/dbraw/zinc/31/48/47/458314847.db2.gz OGXFLTPBZGJRTA-CQSZACIVSA-N 2 2 329.444 3.130 20 0 EGADLP Cc1ccoc1C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000429391350 458327665 /nfs/dbraw/zinc/32/76/65/458327665.db2.gz ZIEZZHDHHQNWSR-UHFFFAOYSA-N 2 2 327.472 3.232 20 0 EGADLP Cc1ccoc1C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000429391350 458327667 /nfs/dbraw/zinc/32/76/67/458327667.db2.gz ZIEZZHDHHQNWSR-UHFFFAOYSA-N 2 2 327.472 3.232 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000376595122 458348564 /nfs/dbraw/zinc/34/85/64/458348564.db2.gz KSEGXGLOZVXGDW-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000376595122 458348567 /nfs/dbraw/zinc/34/85/67/458348567.db2.gz KSEGXGLOZVXGDW-INIZCTEOSA-N 2 2 329.444 3.207 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCS2 ZINC000372920827 458349062 /nfs/dbraw/zinc/34/90/62/458349062.db2.gz DCVCVYVGMHEMGY-JFIYKMOQSA-N 2 2 332.513 3.293 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCS2 ZINC000372920827 458349066 /nfs/dbraw/zinc/34/90/66/458349066.db2.gz DCVCVYVGMHEMGY-JFIYKMOQSA-N 2 2 332.513 3.293 20 0 EGADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684376 458358818 /nfs/dbraw/zinc/35/88/18/458358818.db2.gz KCYOXHGEMXMRGH-FQEVSTJZSA-N 2 2 328.500 3.398 20 0 EGADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684376 458358822 /nfs/dbraw/zinc/35/88/22/458358822.db2.gz KCYOXHGEMXMRGH-FQEVSTJZSA-N 2 2 328.500 3.398 20 0 EGADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684376 458358825 /nfs/dbraw/zinc/35/88/25/458358825.db2.gz KCYOXHGEMXMRGH-FQEVSTJZSA-N 2 2 328.500 3.398 20 0 EGADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684376 458358828 /nfs/dbraw/zinc/35/88/28/458358828.db2.gz KCYOXHGEMXMRGH-FQEVSTJZSA-N 2 2 328.500 3.398 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000372976874 458364020 /nfs/dbraw/zinc/36/40/20/458364020.db2.gz PGIXLTRBFFCCEP-RBUKOAKNSA-N 2 2 334.891 3.462 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000459420379 458364745 /nfs/dbraw/zinc/36/47/45/458364745.db2.gz BEWLEMUYRXQIEE-CQSZACIVSA-N 2 2 340.870 3.378 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(OC[C@H]3CCCO3)cc1)CCCC2 ZINC000376728440 458377486 /nfs/dbraw/zinc/37/74/86/458377486.db2.gz KHUNVDWUJJZRSJ-LJQANCHMSA-N 2 2 341.455 3.067 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)sc2C1 ZINC000430095860 458399740 /nfs/dbraw/zinc/39/97/40/458399740.db2.gz CIQGEXIPMSLGIZ-ZBFHGGJFSA-N 2 2 341.471 3.387 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)sc2C1 ZINC000430095860 458399746 /nfs/dbraw/zinc/39/97/46/458399746.db2.gz CIQGEXIPMSLGIZ-ZBFHGGJFSA-N 2 2 341.471 3.387 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)sc2C1 ZINC000430095860 458399749 /nfs/dbraw/zinc/39/97/49/458399749.db2.gz CIQGEXIPMSLGIZ-ZBFHGGJFSA-N 2 2 341.471 3.387 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)sc2C1 ZINC000430095860 458399751 /nfs/dbraw/zinc/39/97/51/458399751.db2.gz CIQGEXIPMSLGIZ-ZBFHGGJFSA-N 2 2 341.471 3.387 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000373116231 458401649 /nfs/dbraw/zinc/40/16/49/458401649.db2.gz SYGOZVVAAXPENY-JTQLQIEISA-N 2 2 330.379 3.275 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000373116231 458401652 /nfs/dbraw/zinc/40/16/52/458401652.db2.gz SYGOZVVAAXPENY-JTQLQIEISA-N 2 2 330.379 3.275 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nccn1C ZINC000376836957 458401764 /nfs/dbraw/zinc/40/17/64/458401764.db2.gz PRMFKDGMGJBJHN-MTFMMBMASA-N 2 2 338.499 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nccn1C ZINC000376836957 458401770 /nfs/dbraw/zinc/40/17/70/458401770.db2.gz PRMFKDGMGJBJHN-MTFMMBMASA-N 2 2 338.499 3.371 20 0 EGADLP CCCCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000430138714 458408911 /nfs/dbraw/zinc/40/89/11/458408911.db2.gz IFIZTWIJOULCSZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000430138714 458408915 /nfs/dbraw/zinc/40/89/15/458408915.db2.gz IFIZTWIJOULCSZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000430138714 458408922 /nfs/dbraw/zinc/40/89/22/458408922.db2.gz IFIZTWIJOULCSZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000430138714 458408927 /nfs/dbraw/zinc/40/89/27/458408927.db2.gz IFIZTWIJOULCSZ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586299 458420905 /nfs/dbraw/zinc/42/09/05/458420905.db2.gz JGQIHDSAAVHTQO-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586299 458420909 /nfs/dbraw/zinc/42/09/09/458420909.db2.gz JGQIHDSAAVHTQO-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586299 458420914 /nfs/dbraw/zinc/42/09/14/458420914.db2.gz JGQIHDSAAVHTQO-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586299 458420919 /nfs/dbraw/zinc/42/09/19/458420919.db2.gz JGQIHDSAAVHTQO-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000437008805 458422002 /nfs/dbraw/zinc/42/20/02/458422002.db2.gz WBWOYIDSZXIORA-XJKSGUPXSA-N 2 2 329.469 3.423 20 0 EGADLP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000373202029 458428162 /nfs/dbraw/zinc/42/81/62/458428162.db2.gz MVSICXTUAOCOFF-PMACEKPBSA-N 2 2 331.504 3.229 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)s1 ZINC000459635208 458432399 /nfs/dbraw/zinc/43/23/99/458432399.db2.gz YCVAGYIFRCWVHG-UHFFFAOYSA-N 2 2 337.439 3.157 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373225576 458435786 /nfs/dbraw/zinc/43/57/86/458435786.db2.gz FTCLKEBKESGDAX-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373225576 458435791 /nfs/dbraw/zinc/43/57/91/458435791.db2.gz FTCLKEBKESGDAX-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)OC)cs1 ZINC000423515957 458448933 /nfs/dbraw/zinc/44/89/33/458448933.db2.gz XROGFRXOQHMYFQ-WBMJQRKESA-N 2 2 332.469 3.448 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423526477 458451640 /nfs/dbraw/zinc/45/16/40/458451640.db2.gz LHOCDOAJDJMKST-IBGZPJMESA-N 3 2 327.516 3.292 20 0 EGADLP CCOC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000459705367 458452915 /nfs/dbraw/zinc/45/29/15/458452915.db2.gz IAXPTHVJFDJXPG-OAQYLSRUSA-N 2 2 345.531 3.090 20 0 EGADLP CCOC[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000459705367 458452918 /nfs/dbraw/zinc/45/29/18/458452918.db2.gz IAXPTHVJFDJXPG-OAQYLSRUSA-N 2 2 345.531 3.090 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423541762 458454500 /nfs/dbraw/zinc/45/45/00/458454500.db2.gz AVGCRIBRCQIRFR-ULQDDVLXSA-N 2 2 342.405 3.310 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000423563083 458458514 /nfs/dbraw/zinc/45/85/14/458458514.db2.gz KPMASLLNSABRSY-MRXNPFEDSA-N 3 2 329.513 3.392 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000430548198 458459648 /nfs/dbraw/zinc/45/96/48/458459648.db2.gz GJFHSBCAQZYEEY-FQEVSTJZSA-N 2 2 325.456 3.255 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430554813 458460818 /nfs/dbraw/zinc/46/08/18/458460818.db2.gz NVLJEPNLBPEXOQ-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1C[NH3+] ZINC000430557559 458461427 /nfs/dbraw/zinc/46/14/27/458461427.db2.gz SOMUOVDLFLBKDO-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1C[NH3+] ZINC000430557559 458461430 /nfs/dbraw/zinc/46/14/30/458461430.db2.gz SOMUOVDLFLBKDO-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430560698 458461776 /nfs/dbraw/zinc/46/17/76/458461776.db2.gz XJQALDOLKSBBFR-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430560698 458461780 /nfs/dbraw/zinc/46/17/80/458461780.db2.gz XJQALDOLKSBBFR-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000430574567 458463805 /nfs/dbraw/zinc/46/38/05/458463805.db2.gz SYJTWIUDZPSACS-GOSISDBHSA-N 2 2 348.450 3.411 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000430574567 458463811 /nfs/dbraw/zinc/46/38/11/458463811.db2.gz SYJTWIUDZPSACS-GOSISDBHSA-N 2 2 348.450 3.411 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000430576815 458465034 /nfs/dbraw/zinc/46/50/34/458465034.db2.gz YBMOOZFRZKPBIY-PBHICJAKSA-N 2 2 328.460 3.419 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000430576815 458465040 /nfs/dbraw/zinc/46/50/40/458465040.db2.gz YBMOOZFRZKPBIY-PBHICJAKSA-N 2 2 328.460 3.419 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648585 458474046 /nfs/dbraw/zinc/47/40/46/458474046.db2.gz ZMXHYFNKWXWHFE-SWLSCSKDSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648585 458474052 /nfs/dbraw/zinc/47/40/52/458474052.db2.gz ZMXHYFNKWXWHFE-SWLSCSKDSA-N 2 2 334.851 3.134 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000430635187 458474068 /nfs/dbraw/zinc/47/40/68/458474068.db2.gz USGOHSIRUUFIIN-UHFFFAOYSA-N 2 2 339.439 3.101 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000430635187 458474072 /nfs/dbraw/zinc/47/40/72/458474072.db2.gz USGOHSIRUUFIIN-UHFFFAOYSA-N 2 2 339.439 3.101 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669672 458477471 /nfs/dbraw/zinc/47/74/71/458477471.db2.gz UGMKYSSIHLDDBX-SWLSCSKDSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669672 458477473 /nfs/dbraw/zinc/47/74/73/458477473.db2.gz UGMKYSSIHLDDBX-SWLSCSKDSA-N 2 2 334.851 3.134 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc2[nH+]c1C1CC1 ZINC000423817044 458489066 /nfs/dbraw/zinc/48/90/66/458489066.db2.gz XJAARAHDOLBOIZ-GOSISDBHSA-N 2 2 346.434 3.104 20 0 EGADLP C[C@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@@H]1CCC[NH2+]C1 ZINC000423813353 458489309 /nfs/dbraw/zinc/48/93/09/458489309.db2.gz QJSAZANNCLECJN-UKRRQHHQSA-N 2 2 340.471 3.415 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc2[nH+]c1C1CC1 ZINC000423817863 458490093 /nfs/dbraw/zinc/49/00/93/458490093.db2.gz YQFXAFHXSHFLNF-AUUYWEPGSA-N 2 2 326.444 3.297 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000430944165 458508951 /nfs/dbraw/zinc/50/89/51/458508951.db2.gz SDEZUFIKIPDJEG-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1[NH3+] ZINC000430944165 458508953 /nfs/dbraw/zinc/50/89/53/458508953.db2.gz SDEZUFIKIPDJEG-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430963614 458511270 /nfs/dbraw/zinc/51/12/70/458511270.db2.gz AJLUHPIZUWDWPB-WDEREUQCSA-N 2 2 340.349 3.097 20 0 EGADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430963614 458511273 /nfs/dbraw/zinc/51/12/73/458511273.db2.gz AJLUHPIZUWDWPB-WDEREUQCSA-N 2 2 340.349 3.097 20 0 EGADLP C[C@@H](CNc1[nH+]c2ccc(F)cc2n1C)[N@@H+]1CCc2sccc2C1 ZINC000431042466 458520885 /nfs/dbraw/zinc/52/08/85/458520885.db2.gz HUZOFRTYHFRHOI-LBPRGKRZSA-N 2 2 344.459 3.055 20 0 EGADLP C[C@@H](CNc1[nH+]c2ccc(F)cc2n1C)[N@H+]1CCc2sccc2C1 ZINC000431042466 458520890 /nfs/dbraw/zinc/52/08/90/458520890.db2.gz HUZOFRTYHFRHOI-LBPRGKRZSA-N 2 2 344.459 3.055 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC000438131912 458539018 /nfs/dbraw/zinc/53/90/18/458539018.db2.gz XPGREWBPBSHALP-OAHLLOKOSA-N 2 2 329.419 3.155 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000438354945 458569238 /nfs/dbraw/zinc/56/92/38/458569238.db2.gz QQQAHLAFRCHGMT-BWAGFHJFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000438354945 458569243 /nfs/dbraw/zinc/56/92/43/458569243.db2.gz QQQAHLAFRCHGMT-BWAGFHJFSA-N 2 2 338.495 3.090 20 0 EGADLP [NH3+][C@H](CCC(=O)NCCc1cn2ccccc2[nH+]1)CC1CCCCC1 ZINC000424141771 458569342 /nfs/dbraw/zinc/56/93/42/458569342.db2.gz XILQMGWLVRJESI-QGZVFWFLSA-N 2 2 342.487 3.071 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000424263058 458596230 /nfs/dbraw/zinc/59/62/30/458596230.db2.gz FKBDBYYLXPVVME-KVZIAJEVSA-N 2 2 330.472 3.063 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000424326433 458616595 /nfs/dbraw/zinc/61/65/95/458616595.db2.gz YIQLWAQEPKWSTH-GJZGRUSLSA-N 2 2 340.895 3.092 20 0 EGADLP C[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1Cl ZINC000494249399 458647609 /nfs/dbraw/zinc/64/76/09/458647609.db2.gz ZVHHCGZZEBCVLC-UHFFFAOYSA-N 2 2 328.641 3.431 20 0 EGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1Cl ZINC000494249399 458647614 /nfs/dbraw/zinc/64/76/14/458647614.db2.gz ZVHHCGZZEBCVLC-UHFFFAOYSA-N 2 2 328.641 3.431 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470788276 458652620 /nfs/dbraw/zinc/65/26/20/458652620.db2.gz FMPYQSXQWGCPAI-FSSWDIPSSA-N 2 2 338.495 3.302 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470788276 458652625 /nfs/dbraw/zinc/65/26/25/458652625.db2.gz FMPYQSXQWGCPAI-FSSWDIPSSA-N 2 2 338.495 3.302 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470788276 458652628 /nfs/dbraw/zinc/65/26/28/458652628.db2.gz FMPYQSXQWGCPAI-FSSWDIPSSA-N 2 2 338.495 3.302 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470788276 458652635 /nfs/dbraw/zinc/65/26/35/458652635.db2.gz FMPYQSXQWGCPAI-FSSWDIPSSA-N 2 2 338.495 3.302 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000502914984 458681124 /nfs/dbraw/zinc/68/11/24/458681124.db2.gz ZVXSYPQFNYAZOV-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000502914984 458681126 /nfs/dbraw/zinc/68/11/26/458681126.db2.gz ZVXSYPQFNYAZOV-UHFFFAOYSA-N 2 2 337.895 3.392 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000494608039 458709570 /nfs/dbraw/zinc/70/95/70/458709570.db2.gz PJHJUGDVKHKIJH-OAHLLOKOSA-N 2 2 344.459 3.071 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000494608039 458709576 /nfs/dbraw/zinc/70/95/76/458709576.db2.gz PJHJUGDVKHKIJH-OAHLLOKOSA-N 2 2 344.459 3.071 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494665810 458724580 /nfs/dbraw/zinc/72/45/80/458724580.db2.gz DZMLHBUNCDJJOJ-CVEARBPZSA-N 2 2 349.906 3.077 20 0 EGADLP CCCn1c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)nc2ccccc21 ZINC000432369188 458726213 /nfs/dbraw/zinc/72/62/13/458726213.db2.gz UJJXJCVYXIMBFX-KRWDZBQOSA-N 2 2 344.503 3.037 20 0 EGADLP CCCn1c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)nc2ccccc21 ZINC000432369188 458726219 /nfs/dbraw/zinc/72/62/19/458726219.db2.gz UJJXJCVYXIMBFX-KRWDZBQOSA-N 2 2 344.503 3.037 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721849 458774262 /nfs/dbraw/zinc/77/42/62/458774262.db2.gz FPXPZZAXBQQBLG-KBMXLJTQSA-N 2 2 349.475 3.119 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721849 458774269 /nfs/dbraw/zinc/77/42/69/458774269.db2.gz FPXPZZAXBQQBLG-KBMXLJTQSA-N 2 2 349.475 3.119 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828538 458800617 /nfs/dbraw/zinc/80/06/17/458800617.db2.gz ZHIXZBSVHLNYBO-ICSRJNTNSA-N 3 2 326.488 3.164 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828538 458800625 /nfs/dbraw/zinc/80/06/25/458800625.db2.gz ZHIXZBSVHLNYBO-ICSRJNTNSA-N 3 2 326.488 3.164 20 0 EGADLP CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578452 458802225 /nfs/dbraw/zinc/80/22/25/458802225.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 3 2 344.547 3.494 20 0 EGADLP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578452 458802229 /nfs/dbraw/zinc/80/22/29/458802229.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 3 2 344.547 3.494 20 0 EGADLP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578452 458802232 /nfs/dbraw/zinc/80/22/32/458802232.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 3 2 344.547 3.494 20 0 EGADLP CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578452 458802239 /nfs/dbraw/zinc/80/22/39/458802239.db2.gz GPUPLSMVUSVYDQ-HXUWFJFHSA-N 3 2 344.547 3.494 20 0 EGADLP COc1cccc2c(NCCC[N@@H+]3CCCO[C@@H](C)C3)cc[nH+]c12 ZINC000432879330 458805511 /nfs/dbraw/zinc/80/55/11/458805511.db2.gz SUHSOTPAWAJOHV-HNNXBMFYSA-N 2 2 329.444 3.156 20 0 EGADLP COc1cccc2c(NCCC[N@H+]3CCCO[C@@H](C)C3)cc[nH+]c12 ZINC000432879330 458805513 /nfs/dbraw/zinc/80/55/13/458805513.db2.gz SUHSOTPAWAJOHV-HNNXBMFYSA-N 2 2 329.444 3.156 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1sccc1Br ZINC000548307508 458862699 /nfs/dbraw/zinc/86/26/99/458862699.db2.gz QPVPJCFPASYHKU-VHSXEESVSA-N 2 2 326.263 3.373 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000495597008 458892356 /nfs/dbraw/zinc/89/23/56/458892356.db2.gz SYBCNRFSWJYNGS-LJQANCHMSA-N 2 2 344.459 3.071 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000495597008 458892358 /nfs/dbraw/zinc/89/23/58/458892358.db2.gz SYBCNRFSWJYNGS-LJQANCHMSA-N 2 2 344.459 3.071 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441367903 458928076 /nfs/dbraw/zinc/92/80/76/458928076.db2.gz YMWWMPFNWQOMLE-HXUWFJFHSA-N 2 2 345.531 3.014 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000441367903 458928081 /nfs/dbraw/zinc/92/80/81/458928081.db2.gz YMWWMPFNWQOMLE-HXUWFJFHSA-N 2 2 345.531 3.014 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000441367903 458928085 /nfs/dbraw/zinc/92/80/85/458928085.db2.gz YMWWMPFNWQOMLE-HXUWFJFHSA-N 2 2 345.531 3.014 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000441367903 458928090 /nfs/dbraw/zinc/92/80/90/458928090.db2.gz YMWWMPFNWQOMLE-HXUWFJFHSA-N 2 2 345.531 3.014 20 0 EGADLP FC(F)COc1cnccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000441378619 458931478 /nfs/dbraw/zinc/93/14/78/458931478.db2.gz HZUSAHJBTKRQPL-UHFFFAOYSA-N 2 2 344.365 3.201 20 0 EGADLP COCc1nc(C[NH2+]C2CC[NH+](C)CC2)c(-c2ccccc2)s1 ZINC000441391086 458936540 /nfs/dbraw/zinc/93/65/40/458936540.db2.gz ZLSXSLGPCULFOL-UHFFFAOYSA-N 2 2 331.485 3.140 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223732 458938607 /nfs/dbraw/zinc/93/86/07/458938607.db2.gz LEKMOOBCJMGEBR-HBUWYVDXSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223732 458938613 /nfs/dbraw/zinc/93/86/13/458938613.db2.gz LEKMOOBCJMGEBR-HBUWYVDXSA-N 2 2 328.435 3.145 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762713 459032766 /nfs/dbraw/zinc/03/27/66/459032766.db2.gz FPBJCCIMIKSVIL-DTWYCDNDSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762713 459032771 /nfs/dbraw/zinc/03/27/71/459032771.db2.gz FPBJCCIMIKSVIL-DTWYCDNDSA-N 2 2 349.906 3.074 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000532204271 459047617 /nfs/dbraw/zinc/04/76/17/459047617.db2.gz KAHCUCQONWJYGJ-GDBMZVCRSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000532204271 459047620 /nfs/dbraw/zinc/04/76/20/459047620.db2.gz KAHCUCQONWJYGJ-GDBMZVCRSA-N 2 2 340.895 3.356 20 0 EGADLP COCc1nc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(-c2ccccc2)s1 ZINC000442878420 459049745 /nfs/dbraw/zinc/04/97/45/459049745.db2.gz YWRLBPXRIAWWEE-GOEBONIOSA-N 2 2 345.512 3.386 20 0 EGADLP COCc1nc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(-c2ccccc2)s1 ZINC000442878420 459049746 /nfs/dbraw/zinc/04/97/46/459049746.db2.gz YWRLBPXRIAWWEE-GOEBONIOSA-N 2 2 345.512 3.386 20 0 EGADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1cccc(F)c1 ZINC000567350832 459091290 /nfs/dbraw/zinc/09/12/90/459091290.db2.gz YIMDYSJMCSRLLD-UHFFFAOYSA-N 2 2 342.418 3.126 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000480035989 459178408 /nfs/dbraw/zinc/17/84/08/459178408.db2.gz GQHTZFXXHSVORF-PXNSSMCTSA-N 2 2 334.504 3.483 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000480035989 459178413 /nfs/dbraw/zinc/17/84/13/459178413.db2.gz GQHTZFXXHSVORF-PXNSSMCTSA-N 2 2 334.504 3.483 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)n1C ZINC000594944637 459188070 /nfs/dbraw/zinc/18/80/70/459188070.db2.gz AKTCCFAJCZAOIZ-HXUWFJFHSA-N 2 2 343.471 3.118 20 0 EGADLP CC1CC[NH+](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000558714594 459201598 /nfs/dbraw/zinc/20/15/98/459201598.db2.gz ZZSAPAMZWDPONN-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000558790835 459211423 /nfs/dbraw/zinc/21/14/23/459211423.db2.gz WTASRHAYVBZGKG-YHELAOLJSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000558790835 459211431 /nfs/dbraw/zinc/21/14/31/459211431.db2.gz WTASRHAYVBZGKG-YHELAOLJSA-N 2 2 330.516 3.487 20 0 EGADLP COc1ccccc1[C@H](CNCc1[nH]c(C)c(C)[nH+]1)[NH+]1CCCCC1 ZINC000578523763 459215867 /nfs/dbraw/zinc/21/58/67/459215867.db2.gz PISWRFFGOCZVSB-SFHVURJKSA-N 2 2 342.487 3.352 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000480767781 459217590 /nfs/dbraw/zinc/21/75/90/459217590.db2.gz FJSUZDIGIXXQEI-LZQZEXGQSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000480767781 459217595 /nfs/dbraw/zinc/21/75/95/459217595.db2.gz FJSUZDIGIXXQEI-LZQZEXGQSA-N 2 2 335.923 3.407 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310479 459219274 /nfs/dbraw/zinc/21/92/74/459219274.db2.gz QNGDDGRBADGWAU-LKUPVBHCSA-N 2 2 343.515 3.059 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310479 459219278 /nfs/dbraw/zinc/21/92/78/459219278.db2.gz QNGDDGRBADGWAU-LKUPVBHCSA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310479 459219284 /nfs/dbraw/zinc/21/92/84/459219284.db2.gz QNGDDGRBADGWAU-LKUPVBHCSA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310479 459219290 /nfs/dbraw/zinc/21/92/90/459219290.db2.gz QNGDDGRBADGWAU-LKUPVBHCSA-N 2 2 343.515 3.059 20 0 EGADLP CC[C@H](C[NH2+][C@@H](Cn1cccn1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000559892097 459283857 /nfs/dbraw/zinc/28/38/57/459283857.db2.gz BOLZOMYJERAAKH-RTWAWAEBSA-N 2 2 340.515 3.334 20 0 EGADLP CC[C@H](C[NH2+][C@@H](Cn1cccn1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000559892097 459283861 /nfs/dbraw/zinc/28/38/61/459283861.db2.gz BOLZOMYJERAAKH-RTWAWAEBSA-N 2 2 340.515 3.334 20 0 EGADLP Cc1cc2[nH]c(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c(C)c1 ZINC000481989972 459284073 /nfs/dbraw/zinc/28/40/73/459284073.db2.gz KCEUFCKNHZTZLQ-GOSISDBHSA-N 2 2 341.499 3.329 20 0 EGADLP Cc1cc2[nH]c(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c(C)c1 ZINC000481989972 459284075 /nfs/dbraw/zinc/28/40/75/459284075.db2.gz KCEUFCKNHZTZLQ-GOSISDBHSA-N 2 2 341.499 3.329 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000568528655 459303085 /nfs/dbraw/zinc/30/30/85/459303085.db2.gz GMQDPMCOQHCICG-IBGZPJMESA-N 2 2 348.450 3.037 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000568528655 459303090 /nfs/dbraw/zinc/30/30/90/459303090.db2.gz GMQDPMCOQHCICG-IBGZPJMESA-N 2 2 348.450 3.037 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734451 459304525 /nfs/dbraw/zinc/30/45/25/459304525.db2.gz MXRWMQBCWIJFOV-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734451 459304528 /nfs/dbraw/zinc/30/45/28/459304528.db2.gz MXRWMQBCWIJFOV-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082261 459309968 /nfs/dbraw/zinc/30/99/68/459309968.db2.gz MQVYHRZEPUUFFE-DLBZAZTESA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082261 459309970 /nfs/dbraw/zinc/30/99/70/459309970.db2.gz MQVYHRZEPUUFFE-DLBZAZTESA-N 2 2 326.444 3.164 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873291 459328892 /nfs/dbraw/zinc/32/88/92/459328892.db2.gz FIPXACWGCRMHNN-WMLDXEAASA-N 2 2 347.503 3.451 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873291 459328899 /nfs/dbraw/zinc/32/88/99/459328899.db2.gz FIPXACWGCRMHNN-WMLDXEAASA-N 2 2 347.503 3.451 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595511890 459330836 /nfs/dbraw/zinc/33/08/36/459330836.db2.gz UYFUCWSLFZPUQI-UHFFFAOYSA-N 2 2 338.451 3.227 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000496807744 459331628 /nfs/dbraw/zinc/33/16/28/459331628.db2.gz FFXPPJIJFCYIBQ-SFHVURJKSA-N 2 2 327.428 3.033 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582470644 459369876 /nfs/dbraw/zinc/36/98/76/459369876.db2.gz FKUACWVUGAPORV-AWEZNQCLSA-N 2 2 342.405 3.391 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582470644 459369880 /nfs/dbraw/zinc/36/98/80/459369880.db2.gz FKUACWVUGAPORV-AWEZNQCLSA-N 2 2 342.405 3.391 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000568998667 459379436 /nfs/dbraw/zinc/37/94/36/459379436.db2.gz JREYBVJVFJXCSP-YOEHRIQHSA-N 2 2 326.444 3.287 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)n1C ZINC000496993825 459398767 /nfs/dbraw/zinc/39/87/67/459398767.db2.gz DMIYHKVZRUYODB-UHFFFAOYSA-N 2 2 344.459 3.408 20 0 EGADLP C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]C1 ZINC000560943317 459408039 /nfs/dbraw/zinc/40/80/39/459408039.db2.gz SBMNAMWMPKLFON-JSGCOSHPSA-N 2 2 345.468 3.017 20 0 EGADLP CC1CCC([NH+]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)CC1 ZINC000582695187 459410062 /nfs/dbraw/zinc/41/00/62/459410062.db2.gz CBBRAMYPEBLPDB-UHFFFAOYSA-N 2 2 341.459 3.063 20 0 EGADLP Cc1nc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090846 459426090 /nfs/dbraw/zinc/42/60/90/459426090.db2.gz WCNWXVGNXIAOMX-GDBMZVCRSA-N 2 2 328.504 3.151 20 0 EGADLP Cc1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090846 459426094 /nfs/dbraw/zinc/42/60/94/459426094.db2.gz WCNWXVGNXIAOMX-GDBMZVCRSA-N 2 2 328.504 3.151 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869470 459460053 /nfs/dbraw/zinc/46/00/53/459460053.db2.gz YCAFSIWEAKQGPH-AWEZNQCLSA-N 2 2 327.407 3.229 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869470 459460058 /nfs/dbraw/zinc/46/00/58/459460058.db2.gz YCAFSIWEAKQGPH-AWEZNQCLSA-N 2 2 327.407 3.229 20 0 EGADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569676272 459491182 /nfs/dbraw/zinc/49/11/82/459491182.db2.gz ZWKHARWUSDIKJK-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP O[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000486176524 459491492 /nfs/dbraw/zinc/49/14/92/459491492.db2.gz VMRKXTDSCFAXOQ-UXHICEINSA-N 2 2 344.886 3.476 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000569791279 459510196 /nfs/dbraw/zinc/51/01/96/459510196.db2.gz JHRDXARWAJASKF-UZLBHIALSA-N 2 2 337.467 3.189 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000569955883 459538760 /nfs/dbraw/zinc/53/87/60/459538760.db2.gz VYGPJCMLFLPHAF-HNNXBMFYSA-N 2 2 345.443 3.409 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535700 459555338 /nfs/dbraw/zinc/55/53/38/459555338.db2.gz YYCRQFCVSSGEAQ-IRFCIJBXSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535700 459555341 /nfs/dbraw/zinc/55/53/41/459555341.db2.gz YYCRQFCVSSGEAQ-IRFCIJBXSA-N 2 2 347.547 3.158 20 0 EGADLP Cc1nnsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572845448 459585153 /nfs/dbraw/zinc/58/51/53/459585153.db2.gz SRFQAFSLACMYHW-IBGZPJMESA-N 2 2 342.512 3.335 20 0 EGADLP Cc1nnsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572845448 459585159 /nfs/dbraw/zinc/58/51/59/459585159.db2.gz SRFQAFSLACMYHW-IBGZPJMESA-N 2 2 342.512 3.335 20 0 EGADLP Cc1nnsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572845448 459585166 /nfs/dbraw/zinc/58/51/66/459585166.db2.gz SRFQAFSLACMYHW-IBGZPJMESA-N 2 2 342.512 3.335 20 0 EGADLP Cc1nnsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572845448 459585171 /nfs/dbraw/zinc/58/51/71/459585171.db2.gz SRFQAFSLACMYHW-IBGZPJMESA-N 2 2 342.512 3.335 20 0 EGADLP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000583806399 459600317 /nfs/dbraw/zinc/60/03/17/459600317.db2.gz BRIRKLSYKSZOEB-RTWAWAEBSA-N 2 2 349.478 3.162 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)n1C ZINC000584064490 459646010 /nfs/dbraw/zinc/64/60/10/459646010.db2.gz DUJFQNLHUPYPSE-UHFFFAOYSA-N 2 2 333.233 3.262 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499704481 459648496 /nfs/dbraw/zinc/64/84/96/459648496.db2.gz IBMLYWSJGJSTDG-BWAGFHJFSA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499704481 459648498 /nfs/dbraw/zinc/64/84/98/459648498.db2.gz IBMLYWSJGJSTDG-BWAGFHJFSA-N 2 2 338.495 3.497 20 0 EGADLP c1ccc(N2CC[NH+](CCC[NH+]3CCc4ccccc4CC3)CC2)cc1 ZINC000562852707 459660163 /nfs/dbraw/zinc/66/01/63/459660163.db2.gz SYBGPIZWKAWQKC-UHFFFAOYSA-N 2 2 349.522 3.300 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[NH+](C)C)cc1 ZINC000500082196 459663286 /nfs/dbraw/zinc/66/32/86/459663286.db2.gz NTZIXPYQBVTLSL-QFBILLFUSA-N 2 2 333.520 3.088 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000584167889 459670584 /nfs/dbraw/zinc/67/05/84/459670584.db2.gz JYDBUDGFWSTQGF-INIZCTEOSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000584167889 459670588 /nfs/dbraw/zinc/67/05/88/459670588.db2.gz JYDBUDGFWSTQGF-INIZCTEOSA-N 2 2 335.879 3.275 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCC[NH2+]C2CCCCC2)c1C ZINC000500445711 459679840 /nfs/dbraw/zinc/67/98/40/459679840.db2.gz ZIICIPXQBZUSON-UHFFFAOYSA-N 2 2 339.487 3.302 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000527638562 459680864 /nfs/dbraw/zinc/68/08/64/459680864.db2.gz VMMHWKPJKPLOKW-NWDGAFQWSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000527638562 459680869 /nfs/dbraw/zinc/68/08/69/459680869.db2.gz VMMHWKPJKPLOKW-NWDGAFQWSA-N 2 2 345.231 3.444 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000584225938 459685782 /nfs/dbraw/zinc/68/57/82/459685782.db2.gz MJEQRBPHNOLICJ-KUHUBIRLSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000527801169 459741261 /nfs/dbraw/zinc/74/12/61/459741261.db2.gz QYAWROMQUFAKNB-BSIFCXSSSA-N 2 2 349.478 3.193 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC000527801169 459741264 /nfs/dbraw/zinc/74/12/64/459741264.db2.gz QYAWROMQUFAKNB-BSIFCXSSSA-N 2 2 349.478 3.193 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)n1cc[nH+]c1 ZINC000563216545 459741346 /nfs/dbraw/zinc/74/13/46/459741346.db2.gz HWAOEIGRUDZRNW-HNNXBMFYSA-N 2 2 326.444 3.110 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)n1cc[nH+]c1 ZINC000563216545 459741353 /nfs/dbraw/zinc/74/13/53/459741353.db2.gz HWAOEIGRUDZRNW-HNNXBMFYSA-N 2 2 326.444 3.110 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)n1cc[nH+]c1 ZINC000563222407 459743362 /nfs/dbraw/zinc/74/33/62/459743362.db2.gz KDCGOEPMUISPCQ-HNNXBMFYSA-N 2 2 344.484 3.022 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000574168820 459788004 /nfs/dbraw/zinc/78/80/04/459788004.db2.gz JQSPARONYCKYIM-AZUAARDMSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000574168820 459788007 /nfs/dbraw/zinc/78/80/07/459788007.db2.gz JQSPARONYCKYIM-AZUAARDMSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168820 459788010 /nfs/dbraw/zinc/78/80/10/459788010.db2.gz JQSPARONYCKYIM-AZUAARDMSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168820 459788013 /nfs/dbraw/zinc/78/80/13/459788013.db2.gz JQSPARONYCKYIM-AZUAARDMSA-N 3 2 340.515 3.338 20 0 EGADLP c1ccc(C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010790 459796158 /nfs/dbraw/zinc/79/61/58/459796158.db2.gz JQIYIFPWYUABAW-RTWAWAEBSA-N 2 2 336.483 3.367 20 0 EGADLP c1ccc(C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010790 459796161 /nfs/dbraw/zinc/79/61/61/459796161.db2.gz JQIYIFPWYUABAW-RTWAWAEBSA-N 2 2 336.483 3.367 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3snnc3C)C2)s1 ZINC000566306720 459839211 /nfs/dbraw/zinc/83/92/11/459839211.db2.gz WRXUMCZIGVCPOT-AWEZNQCLSA-N 2 2 336.530 3.170 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3snnc3C)C2)s1 ZINC000566306720 459839215 /nfs/dbraw/zinc/83/92/15/459839215.db2.gz WRXUMCZIGVCPOT-AWEZNQCLSA-N 2 2 336.530 3.170 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3snnc3C)C2)s1 ZINC000566306720 459839217 /nfs/dbraw/zinc/83/92/17/459839217.db2.gz WRXUMCZIGVCPOT-AWEZNQCLSA-N 2 2 336.530 3.170 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3snnc3C)C2)s1 ZINC000566306720 459839220 /nfs/dbraw/zinc/83/92/20/459839220.db2.gz WRXUMCZIGVCPOT-AWEZNQCLSA-N 2 2 336.530 3.170 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687140 459967716 /nfs/dbraw/zinc/96/77/16/459967716.db2.gz KPTRTAMHRPQALA-MAUKXSAKSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687140 459967723 /nfs/dbraw/zinc/96/77/23/459967723.db2.gz KPTRTAMHRPQALA-MAUKXSAKSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687140 459967732 /nfs/dbraw/zinc/96/77/32/459967732.db2.gz KPTRTAMHRPQALA-MAUKXSAKSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687140 459967739 /nfs/dbraw/zinc/96/77/39/459967739.db2.gz KPTRTAMHRPQALA-MAUKXSAKSA-N 2 2 348.437 3.451 20 0 EGADLP CCOc1cncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000621715874 460019446 /nfs/dbraw/zinc/01/94/46/460019446.db2.gz JKARZYLWDBABOH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000621715874 460019453 /nfs/dbraw/zinc/01/94/53/460019453.db2.gz JKARZYLWDBABOH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621715874 460019457 /nfs/dbraw/zinc/01/94/57/460019457.db2.gz JKARZYLWDBABOH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621715874 460019463 /nfs/dbraw/zinc/01/94/63/460019463.db2.gz JKARZYLWDBABOH-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609798251 460020303 /nfs/dbraw/zinc/02/03/03/460020303.db2.gz LPBDARVDIJGZFL-FQEVSTJZSA-N 2 2 344.499 3.489 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000575999911 460049193 /nfs/dbraw/zinc/04/91/93/460049193.db2.gz OPEAZKKZADKXOM-KRWDZBQOSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000575999911 460049202 /nfs/dbraw/zinc/04/92/02/460049202.db2.gz OPEAZKKZADKXOM-KRWDZBQOSA-N 2 2 334.529 3.105 20 0 EGADLP O=C(NCC12CCC[NH+]1CCC2)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000614226355 460055586 /nfs/dbraw/zinc/05/55/86/460055586.db2.gz AXRVQBCXVHQYRJ-UHFFFAOYSA-N 2 2 337.423 3.232 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300488 460067851 /nfs/dbraw/zinc/06/78/51/460067851.db2.gz CAOOTTBYJORJHR-AQNXPRMDSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300488 460067855 /nfs/dbraw/zinc/06/78/55/460067855.db2.gz CAOOTTBYJORJHR-AQNXPRMDSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300488 460067860 /nfs/dbraw/zinc/06/78/60/460067860.db2.gz CAOOTTBYJORJHR-AQNXPRMDSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300488 460067865 /nfs/dbraw/zinc/06/78/65/460067865.db2.gz CAOOTTBYJORJHR-AQNXPRMDSA-N 2 2 344.499 3.028 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000614274798 460077031 /nfs/dbraw/zinc/07/70/31/460077031.db2.gz CPRCJUJIDJOXGO-SFHVURJKSA-N 2 2 348.450 3.228 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614274798 460077041 /nfs/dbraw/zinc/07/70/41/460077041.db2.gz CPRCJUJIDJOXGO-SFHVURJKSA-N 2 2 348.450 3.228 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000599043961 460137893 /nfs/dbraw/zinc/13/78/93/460137893.db2.gz QKPCSFMCXNNJJY-NOGSDAMLSA-N 2 2 332.488 3.389 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003791 460157408 /nfs/dbraw/zinc/15/74/08/460157408.db2.gz GAISZQFUGZRPQK-JXFKEZNVSA-N 2 2 336.439 3.147 20 0 EGADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003791 460157417 /nfs/dbraw/zinc/15/74/17/460157417.db2.gz GAISZQFUGZRPQK-JXFKEZNVSA-N 2 2 336.439 3.147 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006143 460159542 /nfs/dbraw/zinc/15/95/42/460159542.db2.gz VTDVWLHFBOCRGT-FPOVZHCZSA-N 2 2 338.499 3.170 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006143 460159544 /nfs/dbraw/zinc/15/95/44/460159544.db2.gz VTDVWLHFBOCRGT-FPOVZHCZSA-N 2 2 338.499 3.170 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000599314606 460226350 /nfs/dbraw/zinc/22/63/50/460226350.db2.gz JDOLMLYAQWRJFK-GOSISDBHSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000599314606 460226355 /nfs/dbraw/zinc/22/63/55/460226355.db2.gz JDOLMLYAQWRJFK-GOSISDBHSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000599314607 460226724 /nfs/dbraw/zinc/22/67/24/460226724.db2.gz JDOLMLYAQWRJFK-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000599314607 460226727 /nfs/dbraw/zinc/22/67/27/460226727.db2.gz JDOLMLYAQWRJFK-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC(F)(F)CC3)c2cc1C ZINC000625768894 460256634 /nfs/dbraw/zinc/25/66/34/460256634.db2.gz WXUHTHQFYLXBNK-OAHLLOKOSA-N 2 2 337.414 3.135 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC(F)(F)CC3)c2cc1C ZINC000625768894 460256638 /nfs/dbraw/zinc/25/66/38/460256638.db2.gz WXUHTHQFYLXBNK-OAHLLOKOSA-N 2 2 337.414 3.135 20 0 EGADLP CC(C)(C)OC(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611183009 460303380 /nfs/dbraw/zinc/30/33/80/460303380.db2.gz IUCSXGBKXYAABO-QGZVFWFLSA-N 2 2 332.488 3.361 20 0 EGADLP CC(C)(C)OC(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000611183009 460303386 /nfs/dbraw/zinc/30/33/86/460303386.db2.gz IUCSXGBKXYAABO-QGZVFWFLSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000622792566 460316331 /nfs/dbraw/zinc/31/63/31/460316331.db2.gz RJXQAWNGCWHBSM-MRXNPFEDSA-N 2 2 337.552 3.124 20 0 EGADLP CN(C)c1nc(N2CCC(C)([NH+]3CCCC3)CC2)[nH+]c2ccccc21 ZINC000631445621 460382993 /nfs/dbraw/zinc/38/29/93/460382993.db2.gz VOJFWDJRNDHSOZ-UHFFFAOYSA-N 2 2 339.487 3.151 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000623089548 460408027 /nfs/dbraw/zinc/40/80/27/460408027.db2.gz LYCZXUFSGSBCEN-UHFFFAOYSA-N 2 2 340.443 3.205 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000623957504 460796732 /nfs/dbraw/zinc/79/67/32/460796732.db2.gz LHSZOMVPTNVMDV-YJBOKZPZSA-N 2 2 345.512 3.259 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000623957504 460796737 /nfs/dbraw/zinc/79/67/37/460796737.db2.gz LHSZOMVPTNVMDV-YJBOKZPZSA-N 2 2 345.512 3.259 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629564361 460811309 /nfs/dbraw/zinc/81/13/09/460811309.db2.gz SYCZAPHENRGHQF-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629564361 460811313 /nfs/dbraw/zinc/81/13/13/460811313.db2.gz SYCZAPHENRGHQF-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCC1 ZINC000620879224 460816312 /nfs/dbraw/zinc/81/63/12/460816312.db2.gz DGKMHGMFMOSCDL-ZDUSSCGKSA-N 2 2 343.393 3.108 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629652786 460847046 /nfs/dbraw/zinc/84/70/46/460847046.db2.gz BYGYXMYHZXLCJT-UONOGXRCSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629652786 460847052 /nfs/dbraw/zinc/84/70/52/460847052.db2.gz BYGYXMYHZXLCJT-UONOGXRCSA-N 2 2 346.393 3.053 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656441 460850395 /nfs/dbraw/zinc/85/03/95/460850395.db2.gz ORBAEAFENUZWCJ-HIFRSBDPSA-N 2 2 346.441 3.214 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656441 460850401 /nfs/dbraw/zinc/85/04/01/460850401.db2.gz ORBAEAFENUZWCJ-HIFRSBDPSA-N 2 2 346.441 3.214 20 0 EGADLP O=C1NCC[NH2+][C@@H]1c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000629696746 460870532 /nfs/dbraw/zinc/87/05/32/460870532.db2.gz HDOBQAWDQWIXIB-OAQYLSRUSA-N 2 2 349.478 3.100 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncc(Br)cc1F ZINC000624123447 460872965 /nfs/dbraw/zinc/87/29/65/460872965.db2.gz MASPYHVBNLZFAU-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncc(Br)cc1F ZINC000624123447 460872960 /nfs/dbraw/zinc/87/29/60/460872960.db2.gz MASPYHVBNLZFAU-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP COCCc1cccc(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)c1 ZINC000629700987 460873947 /nfs/dbraw/zinc/87/39/47/460873947.db2.gz PSQZPKUGCVSNAF-UHFFFAOYSA-N 2 2 336.439 3.058 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1 ZINC000629702469 460875769 /nfs/dbraw/zinc/87/57/69/460875769.db2.gz NVFWOURZXSUVMT-KRWDZBQOSA-N 2 2 339.483 3.339 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1 ZINC000629702469 460875776 /nfs/dbraw/zinc/87/57/76/460875776.db2.gz NVFWOURZXSUVMT-KRWDZBQOSA-N 2 2 339.483 3.339 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607729289 460892149 /nfs/dbraw/zinc/89/21/49/460892149.db2.gz NEVJQZCTWPOORZ-WBVHZDCISA-N 2 2 337.427 3.255 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000607729289 460892156 /nfs/dbraw/zinc/89/21/56/460892156.db2.gz NEVJQZCTWPOORZ-WBVHZDCISA-N 2 2 337.427 3.255 20 0 EGADLP CN(C)CC[NH2+]Cc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000629742814 460901734 /nfs/dbraw/zinc/90/17/34/460901734.db2.gz YQQHBUIVMSQVFZ-UHFFFAOYSA-N 2 2 334.467 3.250 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624226111 460919272 /nfs/dbraw/zinc/91/92/72/460919272.db2.gz KSDSQGQPVFEUPH-FUHWJXTLSA-N 2 2 326.440 3.196 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624226111 460919280 /nfs/dbraw/zinc/91/92/80/460919280.db2.gz KSDSQGQPVFEUPH-FUHWJXTLSA-N 2 2 326.440 3.196 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc(F)c1F ZINC000628161603 461025773 /nfs/dbraw/zinc/02/57/73/461025773.db2.gz JSMUPMADZVOOEG-CQSZACIVSA-N 2 2 346.425 3.360 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)ccc(F)c1F ZINC000628161603 461025777 /nfs/dbraw/zinc/02/57/77/461025777.db2.gz JSMUPMADZVOOEG-CQSZACIVSA-N 2 2 346.425 3.360 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185102 461037029 /nfs/dbraw/zinc/03/70/29/461037029.db2.gz LJHRUGVXIHHFPH-CQSZACIVSA-N 2 2 325.447 3.195 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185102 461037033 /nfs/dbraw/zinc/03/70/33/461037033.db2.gz LJHRUGVXIHHFPH-CQSZACIVSA-N 2 2 325.447 3.195 20 0 EGADLP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000628210331 461050027 /nfs/dbraw/zinc/05/00/27/461050027.db2.gz ROCVTBMCYSRGGG-SFHVURJKSA-N 3 2 329.532 3.247 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CC4)o3)c2)CCO1 ZINC000628209660 461050110 /nfs/dbraw/zinc/05/01/10/461050110.db2.gz NXLJRNSKUMRRLV-HNNXBMFYSA-N 2 2 341.455 3.063 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CC4)o3)c2)CCO1 ZINC000628209660 461050118 /nfs/dbraw/zinc/05/01/18/461050118.db2.gz NXLJRNSKUMRRLV-HNNXBMFYSA-N 2 2 341.455 3.063 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ncc1Br ZINC000628281429 461071960 /nfs/dbraw/zinc/07/19/60/461071960.db2.gz YWBOFJMABCSXEO-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ncc1Br ZINC000628281429 461071962 /nfs/dbraw/zinc/07/19/62/461071962.db2.gz YWBOFJMABCSXEO-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ncc1Br ZINC000628281429 461071969 /nfs/dbraw/zinc/07/19/69/461071969.db2.gz YWBOFJMABCSXEO-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ncc1Br ZINC000628281429 461071973 /nfs/dbraw/zinc/07/19/73/461071973.db2.gz YWBOFJMABCSXEO-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP C[N@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000628304369 461082555 /nfs/dbraw/zinc/08/25/55/461082555.db2.gz SPXDHNFHCJWXBG-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP C[N@@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000628304369 461082556 /nfs/dbraw/zinc/08/25/56/461082556.db2.gz SPXDHNFHCJWXBG-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)cc2[nH+]1 ZINC000668152729 461140284 /nfs/dbraw/zinc/14/02/84/461140284.db2.gz XJPRULSUMYBLJO-UHFFFAOYSA-N 2 2 343.475 3.227 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)cc2[nH+]1 ZINC000668152729 461140290 /nfs/dbraw/zinc/14/02/90/461140290.db2.gz XJPRULSUMYBLJO-UHFFFAOYSA-N 2 2 343.475 3.227 20 0 EGADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)ccc1C ZINC000652356130 461150812 /nfs/dbraw/zinc/15/08/12/461150812.db2.gz SRSHBABBFROTLJ-CJNGLKHVSA-N 2 2 344.459 3.003 20 0 EGADLP COc1cc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)ccc1C ZINC000652356130 461150822 /nfs/dbraw/zinc/15/08/22/461150822.db2.gz SRSHBABBFROTLJ-CJNGLKHVSA-N 2 2 344.459 3.003 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000668172852 461158267 /nfs/dbraw/zinc/15/82/67/461158267.db2.gz VERWVCFYITWFAR-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000668172852 461158275 /nfs/dbraw/zinc/15/82/75/461158275.db2.gz VERWVCFYITWFAR-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000668172852 461158280 /nfs/dbraw/zinc/15/82/80/461158280.db2.gz VERWVCFYITWFAR-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000668172852 461158288 /nfs/dbraw/zinc/15/82/88/461158288.db2.gz VERWVCFYITWFAR-CJNGLKHVSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCc2cncc(C)n2)CC1 ZINC000649596199 461205537 /nfs/dbraw/zinc/20/55/37/461205537.db2.gz MZFPMKSOJXJHRY-UHFFFAOYSA-N 2 2 335.455 3.323 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)n1C ZINC000668281804 461223761 /nfs/dbraw/zinc/22/37/61/461223761.db2.gz CLQKGJJWWKIXRK-ULQDDVLXSA-N 2 2 326.488 3.212 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)n1C ZINC000668281804 461223770 /nfs/dbraw/zinc/22/37/70/461223770.db2.gz CLQKGJJWWKIXRK-ULQDDVLXSA-N 2 2 326.488 3.212 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000641429550 461245049 /nfs/dbraw/zinc/24/50/49/461245049.db2.gz UZDCRDZGZQIDLL-NRFANRHFSA-N 2 2 337.467 3.066 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000649680887 461271156 /nfs/dbraw/zinc/27/11/56/461271156.db2.gz BNXYUMNTZQNJJS-BZSNNMDCSA-N 2 2 326.488 3.175 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000649680887 461271163 /nfs/dbraw/zinc/27/11/63/461271163.db2.gz BNXYUMNTZQNJJS-BZSNNMDCSA-N 2 2 326.488 3.175 20 0 EGADLP Cc1cn2cc(NC(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)ccc2[nH+]1 ZINC000659287040 461276531 /nfs/dbraw/zinc/27/65/31/461276531.db2.gz CEJAPQGNYCEELW-INIZCTEOSA-N 2 2 334.423 3.274 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c2ccccn21 ZINC000668476115 461296995 /nfs/dbraw/zinc/29/69/95/461296995.db2.gz YDPMMMIFOFNFQT-INIZCTEOSA-N 2 2 348.450 3.135 20 0 EGADLP CC(C)c1cc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000641655223 461306627 /nfs/dbraw/zinc/30/66/27/461306627.db2.gz ZVNASZIAOMCVAI-INIZCTEOSA-N 2 2 346.519 3.413 20 0 EGADLP CC(C)c1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000641655223 461306632 /nfs/dbraw/zinc/30/66/32/461306632.db2.gz ZVNASZIAOMCVAI-INIZCTEOSA-N 2 2 346.519 3.413 20 0 EGADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000668565592 461333833 /nfs/dbraw/zinc/33/38/33/461333833.db2.gz AYUTZIXARYKHBI-LJQANCHMSA-N 2 2 326.488 3.213 20 0 EGADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000668565592 461333842 /nfs/dbraw/zinc/33/38/42/461333842.db2.gz AYUTZIXARYKHBI-LJQANCHMSA-N 2 2 326.488 3.213 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@]12CCCO2 ZINC000638298800 461354755 /nfs/dbraw/zinc/35/47/55/461354755.db2.gz SOTARMVWLGBDPE-XUVXKRRUSA-N 2 2 343.471 3.051 20 0 EGADLP Cc1cc(NC(=O)NCCC(C)(C)[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000641815609 461385526 /nfs/dbraw/zinc/38/55/26/461385526.db2.gz OSSJVVBLDZCVNZ-AWEZNQCLSA-N 2 2 333.480 3.018 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655723306 461390755 /nfs/dbraw/zinc/39/07/55/461390755.db2.gz IYKSDUVOWOSRPM-ZHALLVOQSA-N 2 2 338.499 3.464 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCCn2ccnc21 ZINC000655723304 461391350 /nfs/dbraw/zinc/39/13/50/461391350.db2.gz IYKSDUVOWOSRPM-KVPLUYHFSA-N 2 2 338.499 3.464 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCCn2ccnc21 ZINC000655723304 461391357 /nfs/dbraw/zinc/39/13/57/461391357.db2.gz IYKSDUVOWOSRPM-KVPLUYHFSA-N 2 2 338.499 3.464 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+]Cc1oc2ccccc2c1Br ZINC000655722630 461391870 /nfs/dbraw/zinc/39/18/70/461391870.db2.gz ARIDNFOXGQPUHL-UHFFFAOYSA-N 2 2 334.217 3.490 20 0 EGADLP Cc1cc2cc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)oc2cc1C ZINC000668741580 461409374 /nfs/dbraw/zinc/40/93/74/461409374.db2.gz VDQDHWXADOQNRO-GOSISDBHSA-N 2 2 328.456 3.081 20 0 EGADLP Cc1cc2cc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)oc2cc1C ZINC000668741580 461409385 /nfs/dbraw/zinc/40/93/85/461409385.db2.gz VDQDHWXADOQNRO-GOSISDBHSA-N 2 2 328.456 3.081 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000655749253 461416801 /nfs/dbraw/zinc/41/68/01/461416801.db2.gz UPABFCUISJZORU-UGSOOPFHSA-N 2 2 344.890 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000655749253 461416807 /nfs/dbraw/zinc/41/68/07/461416807.db2.gz UPABFCUISJZORU-UGSOOPFHSA-N 2 2 344.890 3.406 20 0 EGADLP CN(CC[NH+]1CCCCC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000652989602 461440806 /nfs/dbraw/zinc/44/08/06/461440806.db2.gz MQGQROLVCKQVDY-UHFFFAOYSA-N 2 2 339.439 3.432 20 0 EGADLP CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061652 461481823 /nfs/dbraw/zinc/48/18/23/461481823.db2.gz XQRSXSCLTMZPTD-SNRMKQJTSA-N 2 2 333.520 3.292 20 0 EGADLP CC[C@H](CC(F)F)C[N@@H+]1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000659893739 461485866 /nfs/dbraw/zinc/48/58/66/461485866.db2.gz XRSIBOJMCQZGOV-OAHLLOKOSA-N 2 2 328.451 3.092 20 0 EGADLP CC[C@H](CC(F)F)C[N@H+]1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000659893739 461485873 /nfs/dbraw/zinc/48/58/73/461485873.db2.gz XRSIBOJMCQZGOV-OAHLLOKOSA-N 2 2 328.451 3.092 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849428 461495227 /nfs/dbraw/zinc/49/52/27/461495227.db2.gz OSCJLJAVHTYMJI-QRQLOZEOSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849428 461495234 /nfs/dbraw/zinc/49/52/34/461495234.db2.gz OSCJLJAVHTYMJI-QRQLOZEOSA-N 2 2 329.488 3.035 20 0 EGADLP Cc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCC[C@@H](C)C1 ZINC000653089257 461497403 /nfs/dbraw/zinc/49/74/03/461497403.db2.gz CIOYNTYGOUXSKG-RARDXLECSA-N 2 2 345.531 3.258 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OC ZINC000631044880 461498933 /nfs/dbraw/zinc/49/89/33/461498933.db2.gz WNGYCBMWWSMNBZ-UHFFFAOYSA-N 2 2 338.879 3.321 20 0 EGADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000638602169 461500807 /nfs/dbraw/zinc/50/08/07/461500807.db2.gz SKKKXHWCRGAJBH-RYRKJORJSA-N 2 2 331.504 3.153 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)cn1 ZINC000655855210 461503539 /nfs/dbraw/zinc/50/35/39/461503539.db2.gz DYMLKTJLUDJHGK-OALUTQOASA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)cn1 ZINC000655855210 461503545 /nfs/dbraw/zinc/50/35/45/461503545.db2.gz DYMLKTJLUDJHGK-OALUTQOASA-N 2 2 338.455 3.375 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655855389 461504385 /nfs/dbraw/zinc/50/43/85/461504385.db2.gz GJKGYDREQXEXOC-DLBZAZTESA-N 2 2 348.487 3.209 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655855389 461504392 /nfs/dbraw/zinc/50/43/92/461504392.db2.gz GJKGYDREQXEXOC-DLBZAZTESA-N 2 2 348.487 3.209 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000631082597 461532865 /nfs/dbraw/zinc/53/28/65/461532865.db2.gz HKNSZTBGMGDKNR-UHFFFAOYSA-N 2 2 336.451 3.340 20 0 EGADLP FC1(F)CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000647170254 461541385 /nfs/dbraw/zinc/54/13/85/461541385.db2.gz RKPHHWKBRADQIH-UHFFFAOYSA-N 2 2 337.458 3.366 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000638804495 461589201 /nfs/dbraw/zinc/58/92/01/461589201.db2.gz MPNMDRZDGDQASB-OIISXLGYSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)(F)F ZINC000638804495 461589205 /nfs/dbraw/zinc/58/92/05/461589205.db2.gz MPNMDRZDGDQASB-OIISXLGYSA-N 2 2 342.405 3.257 20 0 EGADLP Cc1cc(CO)cc(NCc2ccc(N3CCC(C)CC3)[nH+]c2)[nH+]1 ZINC000663392662 461614572 /nfs/dbraw/zinc/61/45/72/461614572.db2.gz MFSOPEYDFGRMRO-UHFFFAOYSA-N 2 2 326.444 3.126 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000643235692 461641339 /nfs/dbraw/zinc/64/13/39/461641339.db2.gz AGMQPFOJFUYSQR-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCCC1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000643235692 461641347 /nfs/dbraw/zinc/64/13/47/461641347.db2.gz AGMQPFOJFUYSQR-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000656254441 461675816 /nfs/dbraw/zinc/67/58/16/461675816.db2.gz FTJFPKJEFIGKID-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000656254441 461675823 /nfs/dbraw/zinc/67/58/23/461675823.db2.gz FTJFPKJEFIGKID-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656254441 461675828 /nfs/dbraw/zinc/67/58/28/461675828.db2.gz FTJFPKJEFIGKID-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656254441 461675833 /nfs/dbraw/zinc/67/58/33/461675833.db2.gz FTJFPKJEFIGKID-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP CC[NH+]1CCN(c2cccc(N[C@H](c3[nH+]ccn3C)C3CC3)c2)CC1 ZINC000639056969 461697957 /nfs/dbraw/zinc/69/79/57/461697957.db2.gz KBQBZGCVBOBLHB-IBGZPJMESA-N 2 2 339.487 3.125 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]1 ZINC000643452642 461730428 /nfs/dbraw/zinc/73/04/28/461730428.db2.gz VUHLZSVIGNHUGQ-AUUYWEPGSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483860 461733132 /nfs/dbraw/zinc/73/31/32/461733132.db2.gz XOUJNYCOBDFPER-RDTXWAMCSA-N 2 2 332.879 3.287 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483860 461733142 /nfs/dbraw/zinc/73/31/42/461733142.db2.gz XOUJNYCOBDFPER-RDTXWAMCSA-N 2 2 332.879 3.287 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H]1CCCC[NH2+]1 ZINC000643462256 461735643 /nfs/dbraw/zinc/73/56/43/461735643.db2.gz RBVVEOYJUBZZTL-OXQOHEQNSA-N 2 2 325.456 3.281 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)cc1O ZINC000639113969 461736631 /nfs/dbraw/zinc/73/66/31/461736631.db2.gz AXOHOBRAXQGLIO-CQSZACIVSA-N 2 2 334.803 3.103 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)cc1O ZINC000639113969 461736636 /nfs/dbraw/zinc/73/66/36/461736636.db2.gz AXOHOBRAXQGLIO-CQSZACIVSA-N 2 2 334.803 3.103 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498288 461737506 /nfs/dbraw/zinc/73/75/06/461737506.db2.gz DODAQTWFGKVILM-DYVFJYSZSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@@H]1[NH3+] ZINC000647498288 461737511 /nfs/dbraw/zinc/73/75/11/461737511.db2.gz DODAQTWFGKVILM-DYVFJYSZSA-N 2 2 331.485 3.378 20 0 EGADLP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(N2CCCC2)n1 ZINC000643471339 461738218 /nfs/dbraw/zinc/73/82/18/461738218.db2.gz UZJDKPZCXRHNBC-YLJYHZDGSA-N 2 2 338.499 3.038 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480202 461741046 /nfs/dbraw/zinc/74/10/46/461741046.db2.gz FTOPEMDQMNLFQY-AYZHRIAMSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480202 461741055 /nfs/dbraw/zinc/74/10/55/461741055.db2.gz FTOPEMDQMNLFQY-AYZHRIAMSA-N 3 2 327.516 3.017 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647506932 461740959 /nfs/dbraw/zinc/74/09/59/461740959.db2.gz GGQJNDCAOZOMSS-FOIQADDNSA-N 2 2 328.456 3.175 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647506932 461740966 /nfs/dbraw/zinc/74/09/66/461740966.db2.gz GGQJNDCAOZOMSS-FOIQADDNSA-N 2 2 328.456 3.175 20 0 EGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506852 461748492 /nfs/dbraw/zinc/74/84/92/461748492.db2.gz KEBZASXGSWDILJ-HXUWFJFHSA-N 2 2 328.431 3.460 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2cccc(Br)c21 ZINC000643537267 461757291 /nfs/dbraw/zinc/75/72/91/461757291.db2.gz CBLYHEFPRNBMOR-ZHPDPMBESA-N 2 2 327.241 3.287 20 0 EGADLP Brc1cnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542831 461757613 /nfs/dbraw/zinc/75/76/13/461757613.db2.gz CNHPDEYEVOAUIU-RYUDHWBXSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647542831 461757615 /nfs/dbraw/zinc/75/76/15/461757615.db2.gz CNHPDEYEVOAUIU-RYUDHWBXSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542829 461757661 /nfs/dbraw/zinc/75/76/61/461757661.db2.gz CNHPDEYEVOAUIU-NEPJUHHUSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647542829 461757662 /nfs/dbraw/zinc/75/76/62/461757662.db2.gz CNHPDEYEVOAUIU-NEPJUHHUSA-N 2 2 344.322 3.117 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2ccc3c(n2)CCC3)[nH+]1 ZINC000656474909 461759330 /nfs/dbraw/zinc/75/93/30/461759330.db2.gz ZSUXCAHAGAXOOW-UHFFFAOYSA-N 2 2 332.451 3.147 20 0 EGADLP C[C@@H]1C[N@@H+](CCCCNc2[nH+]ccc3c(N)cccc32)C[C@H](C)O1 ZINC000663706043 461765767 /nfs/dbraw/zinc/76/57/67/461765767.db2.gz ZKUNMPPDGVCHBP-GASCZTMLSA-N 2 2 328.460 3.118 20 0 EGADLP C[C@@H]1C[N@H+](CCCCNc2[nH+]ccc3c(N)cccc32)C[C@H](C)O1 ZINC000663706043 461765776 /nfs/dbraw/zinc/76/57/76/461765776.db2.gz ZKUNMPPDGVCHBP-GASCZTMLSA-N 2 2 328.460 3.118 20 0 EGADLP c1[nH+]c(C2CC[NH+](Cc3cc(C4CC4)no3)CC2)n2c1CCCC2 ZINC000660435698 461777122 /nfs/dbraw/zinc/77/71/22/461777122.db2.gz OKVVMZKTDPKCRJ-UHFFFAOYSA-N 2 2 326.444 3.464 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000663775372 461800352 /nfs/dbraw/zinc/80/03/52/461800352.db2.gz PWLFHNJNGJJYEA-CABCVRRESA-N 2 2 340.471 3.078 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000663775372 461800356 /nfs/dbraw/zinc/80/03/56/461800356.db2.gz PWLFHNJNGJJYEA-CABCVRRESA-N 2 2 340.471 3.078 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540516 461841472 /nfs/dbraw/zinc/84/14/72/461841472.db2.gz RPQVCOOWAXVFEO-NRFANRHFSA-N 2 2 336.483 3.191 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540516 461841479 /nfs/dbraw/zinc/84/14/79/461841479.db2.gz RPQVCOOWAXVFEO-NRFANRHFSA-N 2 2 336.483 3.191 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540516 461841488 /nfs/dbraw/zinc/84/14/88/461841488.db2.gz RPQVCOOWAXVFEO-NRFANRHFSA-N 2 2 336.483 3.191 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C)n1 ZINC000660540516 461841493 /nfs/dbraw/zinc/84/14/93/461841493.db2.gz RPQVCOOWAXVFEO-NRFANRHFSA-N 2 2 336.483 3.191 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000656695479 461845732 /nfs/dbraw/zinc/84/57/32/461845732.db2.gz LSDAQLAEWQOGDR-LJQANCHMSA-N 2 2 348.531 3.354 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000656695479 461845739 /nfs/dbraw/zinc/84/57/39/461845739.db2.gz LSDAQLAEWQOGDR-LJQANCHMSA-N 2 2 348.531 3.354 20 0 EGADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000647850148 461857184 /nfs/dbraw/zinc/85/71/84/461857184.db2.gz NXTADZOLZGQCMP-UHFFFAOYSA-N 2 2 329.469 3.057 20 0 EGADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000647850148 461857188 /nfs/dbraw/zinc/85/71/88/461857188.db2.gz NXTADZOLZGQCMP-UHFFFAOYSA-N 2 2 329.469 3.057 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000639330568 461865849 /nfs/dbraw/zinc/86/58/49/461865849.db2.gz MMQHUAUPFDRUOT-NYPGBQQYSA-N 2 2 328.500 3.156 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000639330568 461865858 /nfs/dbraw/zinc/86/58/58/461865858.db2.gz MMQHUAUPFDRUOT-NYPGBQQYSA-N 2 2 328.500 3.156 20 0 EGADLP O[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373484 461892208 /nfs/dbraw/zinc/89/22/08/461892208.db2.gz RAZVYDJXQAFQGP-PSMGESJCSA-N 2 2 338.854 3.044 20 0 EGADLP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373484 461892216 /nfs/dbraw/zinc/89/22/16/461892216.db2.gz RAZVYDJXQAFQGP-PSMGESJCSA-N 2 2 338.854 3.044 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939073 461896224 /nfs/dbraw/zinc/89/62/24/461896224.db2.gz ZXAAYKUWLIAWIC-YRNRMSPPSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939073 461896227 /nfs/dbraw/zinc/89/62/27/461896227.db2.gz ZXAAYKUWLIAWIC-YRNRMSPPSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647940328 461898015 /nfs/dbraw/zinc/89/80/15/461898015.db2.gz UGFPKKUTEBTVJM-DAYGRLMNSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647940328 461898018 /nfs/dbraw/zinc/89/80/18/461898018.db2.gz UGFPKKUTEBTVJM-DAYGRLMNSA-N 2 2 325.456 3.226 20 0 EGADLP COCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000656789949 461899060 /nfs/dbraw/zinc/89/90/60/461899060.db2.gz DWYSSIGFPRIPOZ-WOJBJXKFSA-N 2 2 328.431 3.207 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666996732 461904854 /nfs/dbraw/zinc/90/48/54/461904854.db2.gz BXDQGDVFVSDGIJ-ZDUSSCGKSA-N 2 2 339.277 3.222 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657168 461908479 /nfs/dbraw/zinc/90/84/79/461908479.db2.gz WFAKSUDLGWZZGM-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657168 461908482 /nfs/dbraw/zinc/90/84/82/461908482.db2.gz WFAKSUDLGWZZGM-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657168 461908487 /nfs/dbraw/zinc/90/84/87/461908487.db2.gz WFAKSUDLGWZZGM-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657168 461908492 /nfs/dbraw/zinc/90/84/92/461908492.db2.gz WFAKSUDLGWZZGM-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP CCCn1c2ccccc2nc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718564 461910117 /nfs/dbraw/zinc/91/01/17/461910117.db2.gz REDSGTMKXGADTR-UHFFFAOYSA-N 2 2 326.419 3.334 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000647970208 461913257 /nfs/dbraw/zinc/91/32/57/461913257.db2.gz HDVFXXHIPBYCKT-INIZCTEOSA-N 2 2 344.421 3.375 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000647970208 461913263 /nfs/dbraw/zinc/91/32/63/461913263.db2.gz HDVFXXHIPBYCKT-INIZCTEOSA-N 2 2 344.421 3.375 20 0 EGADLP CC(C)Cn1nccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000648029782 461949846 /nfs/dbraw/zinc/94/98/46/461949846.db2.gz VUSZPBUPQWRLOU-UHFFFAOYSA-N 2 2 341.503 3.452 20 0 EGADLP CC(C)Oc1ccccc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644526251 461970675 /nfs/dbraw/zinc/97/06/75/461970675.db2.gz PPKYSTSACZCNBA-HXUWFJFHSA-N 2 2 342.483 3.056 20 0 EGADLP CC(C)Oc1ccccc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644526251 461970681 /nfs/dbraw/zinc/97/06/81/461970681.db2.gz PPKYSTSACZCNBA-HXUWFJFHSA-N 2 2 342.483 3.056 20 0 EGADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852951 461995357 /nfs/dbraw/zinc/99/53/57/461995357.db2.gz MJAIWKUISAXVID-OAHLLOKOSA-N 2 2 342.487 3.122 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856515 461997282 /nfs/dbraw/zinc/99/72/82/461997282.db2.gz NQFBJRNGLPZAGQ-UHFFFAOYSA-N 3 2 337.471 3.413 20 0 EGADLP CCOc1ccc(C[NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000657338295 462056291 /nfs/dbraw/zinc/05/62/91/462056291.db2.gz UROZNTPFLXLYRX-UHFFFAOYSA-N 3 2 345.531 3.042 20 0 EGADLP Brc1ccccc1C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657374087 462078850 /nfs/dbraw/zinc/07/88/50/462078850.db2.gz INWMJJJAAASKTA-UHFFFAOYSA-N 2 2 346.272 3.413 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657388177 462090860 /nfs/dbraw/zinc/09/08/60/462090860.db2.gz HCLFYYGGVFMULQ-XLIONFOSSA-N 2 2 338.499 3.436 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657388177 462090866 /nfs/dbraw/zinc/09/08/66/462090866.db2.gz HCLFYYGGVFMULQ-XLIONFOSSA-N 2 2 338.499 3.436 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2ccc(F)c(Br)c2)n1C ZINC000657398597 462096610 /nfs/dbraw/zinc/09/66/10/462096610.db2.gz NKQIVDWLGRUEQZ-JTQLQIEISA-N 2 2 340.240 3.351 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644843148 462101683 /nfs/dbraw/zinc/10/16/83/462101683.db2.gz VRQQAOKGVZSDMA-FQEVSTJZSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000644843148 462101692 /nfs/dbraw/zinc/10/16/92/462101692.db2.gz VRQQAOKGVZSDMA-FQEVSTJZSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644843148 462101698 /nfs/dbraw/zinc/10/16/98/462101698.db2.gz VRQQAOKGVZSDMA-FQEVSTJZSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1nn(C)c(Oc2ccccc2)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000644843148 462101704 /nfs/dbraw/zinc/10/17/04/462101704.db2.gz VRQQAOKGVZSDMA-FQEVSTJZSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422540 462114115 /nfs/dbraw/zinc/11/41/15/462114115.db2.gz WXSAZSUPQXDDSI-GUYCJALGSA-N 2 2 336.842 3.293 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422540 462114119 /nfs/dbraw/zinc/11/41/19/462114119.db2.gz WXSAZSUPQXDDSI-GUYCJALGSA-N 2 2 336.842 3.293 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657468692 462142109 /nfs/dbraw/zinc/14/21/09/462142109.db2.gz AVORPPRNOQTCSD-LJQANCHMSA-N 3 2 338.499 3.221 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657468692 462142114 /nfs/dbraw/zinc/14/21/14/462142114.db2.gz AVORPPRNOQTCSD-LJQANCHMSA-N 3 2 338.499 3.221 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667587329 462161024 /nfs/dbraw/zinc/16/10/24/462161024.db2.gz NSDYKZYQEPFAIW-SJLPKXTDSA-N 2 2 329.444 3.134 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667587329 462161032 /nfs/dbraw/zinc/16/10/32/462161032.db2.gz NSDYKZYQEPFAIW-SJLPKXTDSA-N 2 2 329.444 3.134 20 0 EGADLP Cc1[nH+]cc(C[N@H+](CCc2ccc(C)cc2)C[C@@H]2CCCO2)n1C ZINC000667670362 462203181 /nfs/dbraw/zinc/20/31/81/462203181.db2.gz LPVSXFDOPNTOAA-FQEVSTJZSA-N 2 2 327.472 3.261 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](CCc2ccc(C)cc2)C[C@@H]2CCCO2)n1C ZINC000667670362 462203189 /nfs/dbraw/zinc/20/31/89/462203189.db2.gz LPVSXFDOPNTOAA-FQEVSTJZSA-N 2 2 327.472 3.261 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981955 462203723 /nfs/dbraw/zinc/20/37/23/462203723.db2.gz WLHONWSAADFAEI-LXPRWKDFSA-N 2 2 335.536 3.020 20 0 EGADLP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)CC1CC1 ZINC000657717902 462241520 /nfs/dbraw/zinc/24/15/20/462241520.db2.gz OZHOTZOMUGGRKB-QGZVFWFLSA-N 2 2 336.907 3.303 20 0 EGADLP COc1c[nH+]ccc1N1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC000645230309 462245758 /nfs/dbraw/zinc/24/57/58/462245758.db2.gz AASQGPDMJIIKSK-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N(C)CCC[N@H+](C)Cc3ccco3)c2c1C ZINC000645242447 462249913 /nfs/dbraw/zinc/24/99/13/462249913.db2.gz XZZQJFBDCHKKNN-UHFFFAOYSA-N 2 2 327.432 3.126 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N(C)CCC[N@@H+](C)Cc3ccco3)c2c1C ZINC000645242447 462249918 /nfs/dbraw/zinc/24/99/18/462249918.db2.gz XZZQJFBDCHKKNN-UHFFFAOYSA-N 2 2 327.432 3.126 20 0 EGADLP Clc1cc2cccnc2c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750334 462250363 /nfs/dbraw/zinc/25/03/63/462250363.db2.gz HNZWCDYYCHZODP-GOSISDBHSA-N 2 2 345.874 3.231 20 0 EGADLP FC(F)(F)c1cscc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750825 462251537 /nfs/dbraw/zinc/25/15/37/462251537.db2.gz DJAYCMCMNPUXJH-CYBMUJFWSA-N 2 2 334.407 3.110 20 0 EGADLP c1nc(C2CCCC2)sc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751501 462252061 /nfs/dbraw/zinc/25/20/61/462252061.db2.gz RFWGGAPUTJTWJA-MRXNPFEDSA-N 2 2 335.517 3.144 20 0 EGADLP c1csc(-c2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)c1 ZINC000657751884 462252196 /nfs/dbraw/zinc/25/21/96/462252196.db2.gz VGDHCABFNOVJSS-CQSZACIVSA-N 2 2 349.525 3.215 20 0 EGADLP c1nc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)sc1-c1ccccc1 ZINC000657752236 462252327 /nfs/dbraw/zinc/25/23/27/462252327.db2.gz NZKPQEHTAIYRCS-QGZVFWFLSA-N 2 2 343.496 3.153 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000648756648 462263515 /nfs/dbraw/zinc/26/35/15/462263515.db2.gz GYEIZARVOCTVMD-SFHVURJKSA-N 2 2 349.563 3.434 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3c(C)cc[nH+]c3C)C2)cc1 ZINC000640128507 462270122 /nfs/dbraw/zinc/27/01/22/462270122.db2.gz LYPARVDMDQJDAM-GOSISDBHSA-N 2 2 338.455 3.403 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3c(C)cc[nH+]c3C)C2)cc1 ZINC000640128507 462270130 /nfs/dbraw/zinc/27/01/30/462270130.db2.gz LYPARVDMDQJDAM-GOSISDBHSA-N 2 2 338.455 3.403 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657813729 462280238 /nfs/dbraw/zinc/28/02/38/462280238.db2.gz YRBRIQVWKDLQJL-GCJKJVERSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657813729 462280244 /nfs/dbraw/zinc/28/02/44/462280244.db2.gz YRBRIQVWKDLQJL-GCJKJVERSA-N 3 2 341.543 3.361 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000651647466 462288688 /nfs/dbraw/zinc/28/86/88/462288688.db2.gz RDDLJXMTTNICCH-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000651647466 462288691 /nfs/dbraw/zinc/28/86/91/462288691.db2.gz RDDLJXMTTNICCH-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000651647466 462288695 /nfs/dbraw/zinc/28/86/95/462288695.db2.gz RDDLJXMTTNICCH-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000651647466 462288701 /nfs/dbraw/zinc/28/87/01/462288701.db2.gz RDDLJXMTTNICCH-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000651651304 462290881 /nfs/dbraw/zinc/29/08/81/462290881.db2.gz SJZUHZXQVZLPEA-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000651651304 462290886 /nfs/dbraw/zinc/29/08/86/462290886.db2.gz SJZUHZXQVZLPEA-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000651651304 462290890 /nfs/dbraw/zinc/29/08/90/462290890.db2.gz SJZUHZXQVZLPEA-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000651651304 462290896 /nfs/dbraw/zinc/29/08/96/462290896.db2.gz SJZUHZXQVZLPEA-RXVVDRJESA-N 2 2 338.499 3.405 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)ccc1Cl ZINC000648817022 462291126 /nfs/dbraw/zinc/29/11/26/462291126.db2.gz ZOXQIBXFEIXDDC-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CCOC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000657990536 462340063 /nfs/dbraw/zinc/34/00/63/462340063.db2.gz OWVQFAQLTVVRQI-XVAXZDLZSA-N 2 2 346.515 3.215 20 0 EGADLP CCOC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000657990536 462340067 /nfs/dbraw/zinc/34/00/67/462340067.db2.gz OWVQFAQLTVVRQI-XVAXZDLZSA-N 2 2 346.515 3.215 20 0 EGADLP c1csc(-c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000665238354 462363843 /nfs/dbraw/zinc/36/38/43/462363843.db2.gz WTOIZTOQIGAQKA-HKUYNNGSSA-N 2 2 328.481 3.272 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)[C@@H]1CCC[NH2+]1 ZINC000665294781 462388699 /nfs/dbraw/zinc/38/86/99/462388699.db2.gz WNTLOSTZHZFYRT-AQNXPRMDSA-N 2 2 332.488 3.002 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000665296856 462390390 /nfs/dbraw/zinc/39/03/90/462390390.db2.gz YUMQUKIMPOXLPA-QRWLVFNGSA-N 2 2 328.456 3.185 20 0 EGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1noc(-c2ccsc2)n1 ZINC000640530981 462430591 /nfs/dbraw/zinc/43/05/91/462430591.db2.gz KLKLBHBTRPJYCL-UHFFFAOYSA-N 2 2 334.489 3.496 20 0 EGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1noc(-c2ccsc2)n1 ZINC000640530981 462430595 /nfs/dbraw/zinc/43/05/95/462430595.db2.gz KLKLBHBTRPJYCL-UHFFFAOYSA-N 2 2 334.489 3.496 20 0 EGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2cc1Cl ZINC000649224987 462444828 /nfs/dbraw/zinc/44/48/28/462444828.db2.gz LBOAONKFUJWPPJ-ZDUSSCGKSA-N 2 2 349.837 3.328 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287847 462457678 /nfs/dbraw/zinc/45/76/78/462457678.db2.gz OADMDQDZBAPEHI-GOEBONIOSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287847 462457684 /nfs/dbraw/zinc/45/76/84/462457684.db2.gz OADMDQDZBAPEHI-GOEBONIOSA-N 2 2 337.895 3.439 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000658294657 462461170 /nfs/dbraw/zinc/46/11/70/462461170.db2.gz ONUUSACZSPSHPN-VAMGGRTRSA-N 2 2 328.500 3.412 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296453 462462638 /nfs/dbraw/zinc/46/26/38/462462638.db2.gz ZVBOXLLLJNYHOR-HKUYNNGSSA-N 2 2 330.472 3.052 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1Oc1ccccc1 ZINC000658297083 462462783 /nfs/dbraw/zinc/46/27/83/462462783.db2.gz YAAHQIANJBIDNU-MISYRCLQSA-N 2 2 344.499 3.075 20 0 EGADLP c1n[nH]c([C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C2CCCCC2)n1 ZINC000658352409 462486936 /nfs/dbraw/zinc/48/69/36/462486936.db2.gz GCTIWKUTJNJHML-GOSISDBHSA-N 2 2 331.508 3.138 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@H]1[NH3+] ZINC000649416733 462503308 /nfs/dbraw/zinc/50/33/08/462503308.db2.gz KAKZRUFPCUHEJI-XJKSGUPXSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@H]1[NH3+] ZINC000649416733 462503313 /nfs/dbraw/zinc/50/33/13/462503313.db2.gz KAKZRUFPCUHEJI-XJKSGUPXSA-N 2 2 331.485 3.378 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccco2)no1 ZINC000191481224 528866278 /nfs/dbraw/zinc/86/62/78/528866278.db2.gz KNORBJZESKHLNM-UHFFFAOYSA-N 2 2 329.404 3.001 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccco2)no1 ZINC000191481224 528866282 /nfs/dbraw/zinc/86/62/82/528866282.db2.gz KNORBJZESKHLNM-UHFFFAOYSA-N 2 2 329.404 3.001 20 0 EGADLP CC[C@@H](C)[N@H+](CCC[NH+](CC)CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191812468 529347739 /nfs/dbraw/zinc/34/77/39/529347739.db2.gz WCJWSESEQJPDJG-MRXNPFEDSA-N 2 2 344.503 3.256 20 0 EGADLP CC[C@@H](C)[N@@H+](CCC[NH+](CC)CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191812468 529347742 /nfs/dbraw/zinc/34/77/42/529347742.db2.gz WCJWSESEQJPDJG-MRXNPFEDSA-N 2 2 344.503 3.256 20 0 EGADLP CCCNC(=O)c1cccc(C[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000347889593 535144329 /nfs/dbraw/zinc/14/43/29/535144329.db2.gz AWFFJUUFQOSXMO-UHFFFAOYSA-N 2 2 325.456 3.252 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178328360 536123259 /nfs/dbraw/zinc/12/32/59/536123259.db2.gz LFBUJVJOJNMCAU-ZFWWWQNUSA-N 2 2 325.522 3.021 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178328360 536123266 /nfs/dbraw/zinc/12/32/66/536123266.db2.gz LFBUJVJOJNMCAU-ZFWWWQNUSA-N 2 2 325.522 3.021 20 0 EGADLP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959807 546603011 /nfs/dbraw/zinc/60/30/11/546603011.db2.gz ZPJWKMTZXUXZFT-CQSZACIVSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959807 546603014 /nfs/dbraw/zinc/60/30/14/546603014.db2.gz ZPJWKMTZXUXZFT-CQSZACIVSA-N 2 2 325.391 3.114 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000088521582 546640974 /nfs/dbraw/zinc/64/09/74/546640974.db2.gz HKMRUOCOMRWZDP-SFHVURJKSA-N 2 2 331.504 3.424 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000088521582 546640980 /nfs/dbraw/zinc/64/09/80/546640980.db2.gz HKMRUOCOMRWZDP-SFHVURJKSA-N 2 2 331.504 3.424 20 0 EGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000157948894 546925263 /nfs/dbraw/zinc/92/52/63/546925263.db2.gz LIMSTFHIWPVYLD-IBGZPJMESA-N 2 2 330.497 3.240 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000165035575 546983603 /nfs/dbraw/zinc/98/36/03/546983603.db2.gz VSUPODBEGIUGBJ-QGZVFWFLSA-N 2 2 349.906 3.299 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755523 547142126 /nfs/dbraw/zinc/14/21/26/547142126.db2.gz REUPFFVYYIXRFY-LEWJYISDSA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755523 547142130 /nfs/dbraw/zinc/14/21/30/547142130.db2.gz REUPFFVYYIXRFY-LEWJYISDSA-N 2 2 342.458 3.286 20 0 EGADLP COc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1F ZINC000192665708 547203460 /nfs/dbraw/zinc/20/34/60/547203460.db2.gz WPLFEOFGIRHNRB-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3Cl)C[C@@H]12 ZINC000261557973 547324142 /nfs/dbraw/zinc/32/41/42/547324142.db2.gz CYCKDFDDGCUASW-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3Cl)C[C@@H]12 ZINC000261557973 547324148 /nfs/dbraw/zinc/32/41/48/547324148.db2.gz CYCKDFDDGCUASW-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP Cn1cc([C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccccc2)cn1 ZINC000273203961 547348229 /nfs/dbraw/zinc/34/82/29/547348229.db2.gz RYBXGGNEBQZOBQ-IBGZPJMESA-N 2 2 326.488 3.362 20 0 EGADLP COc1ccncc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000287956538 547401776 /nfs/dbraw/zinc/40/17/76/547401776.db2.gz YKFNQUQLRWCKHY-IAGOWNOFSA-N 2 2 339.483 3.336 20 0 EGADLP Cc1ccc(C[NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000360718835 547760348 /nfs/dbraw/zinc/76/03/48/547760348.db2.gz UPFLZXWSLOGDNA-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP Cc1ccc(C[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000360718835 547760351 /nfs/dbraw/zinc/76/03/51/547760351.db2.gz UPFLZXWSLOGDNA-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985398 548243395 /nfs/dbraw/zinc/24/33/95/548243395.db2.gz BLXVNWQEOFFLGR-UYAOXDASSA-N 2 2 332.463 3.390 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985398 548243396 /nfs/dbraw/zinc/24/33/96/548243396.db2.gz BLXVNWQEOFFLGR-UYAOXDASSA-N 2 2 332.463 3.390 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741123 548349412 /nfs/dbraw/zinc/34/94/12/548349412.db2.gz WFGSMEYYNAYWJJ-ZDUSSCGKSA-N 2 2 338.411 3.248 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3cccc(-n4ccnn4)c3)[nH+]c12 ZINC000672604271 548452318 /nfs/dbraw/zinc/45/23/18/548452318.db2.gz DKRSDGGCPFSQHM-INIZCTEOSA-N 2 2 346.438 3.117 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000674747137 548790259 /nfs/dbraw/zinc/79/02/59/548790259.db2.gz WUXSBZCZDOBJGM-GOSISDBHSA-N 2 2 332.451 3.376 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000674747137 548790261 /nfs/dbraw/zinc/79/02/61/548790261.db2.gz WUXSBZCZDOBJGM-GOSISDBHSA-N 2 2 332.451 3.376 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)cc2)c[nH+]1 ZINC000675022772 548838772 /nfs/dbraw/zinc/83/87/72/548838772.db2.gz CDWUCQOCQGBGPR-UHFFFAOYSA-N 2 2 329.407 3.348 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000675829664 548990726 /nfs/dbraw/zinc/99/07/26/548990726.db2.gz LMJDKJYQVHIENB-PKOBYXMFSA-N 2 2 332.875 3.136 20 0 EGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678257071 549446567 /nfs/dbraw/zinc/44/65/67/549446567.db2.gz NYZHFNRCGHUBRM-GOSISDBHSA-N 2 2 335.923 3.169 20 0 EGADLP Cc1cc(Cl)cc(C)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678257071 549446572 /nfs/dbraw/zinc/44/65/72/549446572.db2.gz NYZHFNRCGHUBRM-GOSISDBHSA-N 2 2 335.923 3.169 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000679364619 549697036 /nfs/dbraw/zinc/69/70/36/549697036.db2.gz HYCNMIDUZLDITI-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000679364619 549697039 /nfs/dbraw/zinc/69/70/39/549697039.db2.gz HYCNMIDUZLDITI-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000679364619 549697043 /nfs/dbraw/zinc/69/70/43/549697043.db2.gz HYCNMIDUZLDITI-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000679364619 549697046 /nfs/dbraw/zinc/69/70/46/549697046.db2.gz HYCNMIDUZLDITI-JQHSSLGASA-N 2 2 332.488 3.399 20 0 EGADLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1C ZINC000680110575 549822066 /nfs/dbraw/zinc/82/20/66/549822066.db2.gz ULYQVTUCPVOSIU-KRWDZBQOSA-N 2 2 330.403 3.499 20 0 EGADLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1C ZINC000680110575 549822069 /nfs/dbraw/zinc/82/20/69/549822069.db2.gz ULYQVTUCPVOSIU-KRWDZBQOSA-N 2 2 330.403 3.499 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680397649 549861975 /nfs/dbraw/zinc/86/19/75/549861975.db2.gz VLIUIYLARWPKEM-SJLPKXTDSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680397649 549861978 /nfs/dbraw/zinc/86/19/78/549861978.db2.gz VLIUIYLARWPKEM-SJLPKXTDSA-N 2 2 337.552 3.076 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)c2C1 ZINC000682514613 550109066 /nfs/dbraw/zinc/10/90/66/550109066.db2.gz AFDUEUVWRFKFDI-INIZCTEOSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)c2C1 ZINC000682514613 550109068 /nfs/dbraw/zinc/10/90/68/550109068.db2.gz AFDUEUVWRFKFDI-INIZCTEOSA-N 2 2 338.455 3.056 20 0 EGADLP CCc1cccc(Cl)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682778393 550143446 /nfs/dbraw/zinc/14/34/46/550143446.db2.gz DRVJJIZASUAYIA-QGZVFWFLSA-N 2 2 335.923 3.114 20 0 EGADLP c1nc(N2CCC(C[NH+]3CCCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000683384130 550224180 /nfs/dbraw/zinc/22/41/80/550224180.db2.gz COPXBBQHYPFKFD-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP c1nc(N2CCCC2)cc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000683384130 550224182 /nfs/dbraw/zinc/22/41/82/550224182.db2.gz COPXBBQHYPFKFD-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP Clc1cccc(-c2cnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)c1 ZINC000683895391 550271668 /nfs/dbraw/zinc/27/16/68/550271668.db2.gz RSSCCFZLVSLYJS-UHFFFAOYSA-N 2 2 343.818 3.040 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)[nH+]c12 ZINC000684114219 550292878 /nfs/dbraw/zinc/29/28/78/550292878.db2.gz SSVFZWSKAHUNDP-IAGOWNOFSA-N 2 2 337.471 3.235 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000685876592 550450971 /nfs/dbraw/zinc/45/09/71/550450971.db2.gz OECXRHZFCNODFN-GOSISDBHSA-N 2 2 340.471 3.332 20 0 EGADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000727931462 574704852 /nfs/dbraw/zinc/70/48/52/574704852.db2.gz LRNHWBXFDDVZNY-BHIYHBOVSA-N 2 2 338.536 3.264 20 0 EGADLP CCC(CC)[C@H](CNc1nc(N2CCCC2)cc[nH+]1)[NH+]1CCCC1 ZINC000733186059 575317904 /nfs/dbraw/zinc/31/79/04/575317904.db2.gz QLPZQCZGDPYZCE-KRWDZBQOSA-N 2 2 331.508 3.389 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC000734509350 575504826 /nfs/dbraw/zinc/50/48/26/575504826.db2.gz HLIUJPXGQKFTLQ-WMZOPIPTSA-N 2 2 344.430 3.347 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000734509350 575504831 /nfs/dbraw/zinc/50/48/31/575504831.db2.gz HLIUJPXGQKFTLQ-WMZOPIPTSA-N 2 2 344.430 3.347 20 0 EGADLP O[C@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCCC1 ZINC000678683045 576168879 /nfs/dbraw/zinc/16/88/79/576168879.db2.gz KKQLNSROBMJEFU-XLIONFOSSA-N 2 2 334.479 3.493 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000742367007 576774256 /nfs/dbraw/zinc/77/42/56/576774256.db2.gz CKWMQNYDLSTWDB-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc(OC)c1OC ZINC000059260127 1291913585 /nfs/dbraw/zinc/91/35/85/1291913585.db2.gz PVYBQRIHCFMCOO-QGZVFWFLSA-N 2 2 347.459 3.113 20 0 EGADLP Cn1c2ccccc2nc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000066991237 1292138326 /nfs/dbraw/zinc/13/83/26/1292138326.db2.gz IEBQBCHWRVRUAU-UHFFFAOYSA-N 2 2 326.488 3.318 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3F)c2)CCO1 ZINC000067976511 1292179698 /nfs/dbraw/zinc/17/96/98/1292179698.db2.gz CAPCLMKPWALLDF-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(F)ccc3F)c2)CCO1 ZINC000067976511 1292179704 /nfs/dbraw/zinc/17/97/04/1292179704.db2.gz CAPCLMKPWALLDF-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078876564 1292531966 /nfs/dbraw/zinc/53/19/66/1292531966.db2.gz SLLCXAASUCLUNK-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000090004037 1292784142 /nfs/dbraw/zinc/78/41/42/1292784142.db2.gz ZRTCENXHPMHLSB-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000090004037 1292784149 /nfs/dbraw/zinc/78/41/49/1292784149.db2.gz ZRTCENXHPMHLSB-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)C12CCC2 ZINC000834606426 1293122175 /nfs/dbraw/zinc/12/21/75/1293122175.db2.gz HXVUFBYRIMEWPT-FGTMMUONSA-N 2 2 325.456 3.251 20 0 EGADLP C[C@@H](Cc1cnccn1)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000834737863 1293140391 /nfs/dbraw/zinc/14/03/91/1293140391.db2.gz ZEEJBOSQFCIMJC-INIZCTEOSA-N 2 2 339.487 3.050 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000116340733 1293203224 /nfs/dbraw/zinc/20/32/24/1293203224.db2.gz XQHOXQKQANGHMU-AWEZNQCLSA-N 2 2 332.879 3.172 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000116340733 1293203226 /nfs/dbraw/zinc/20/32/26/1293203226.db2.gz XQHOXQKQANGHMU-AWEZNQCLSA-N 2 2 332.879 3.172 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc(Cl)n2C)C1 ZINC000120834555 1293341128 /nfs/dbraw/zinc/34/11/28/1293341128.db2.gz VEKXWIRGQUUAFB-GFCCVEGCSA-N 2 2 333.307 3.185 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)nc(Cl)n2C)C1 ZINC000120834555 1293341139 /nfs/dbraw/zinc/34/11/39/1293341139.db2.gz VEKXWIRGQUUAFB-GFCCVEGCSA-N 2 2 333.307 3.185 20 0 EGADLP CC(C)C[C@H](CN(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000121728802 1293386877 /nfs/dbraw/zinc/38/68/77/1293386877.db2.gz TXETUSHKZHZMRQ-OAQYLSRUSA-N 2 2 331.548 3.259 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)c(Cl)nc21 ZINC000126844294 1293545136 /nfs/dbraw/zinc/54/51/36/1293545136.db2.gz PESWRJATUWKWBV-ZDUSSCGKSA-N 2 2 346.866 3.288 20 0 EGADLP Cc1csc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000157336205 1294174913 /nfs/dbraw/zinc/17/49/13/1294174913.db2.gz OOTVVNCBYOJZCH-MAUKXSAKSA-N 2 2 344.528 3.279 20 0 EGADLP Cc1csc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000157336205 1294174918 /nfs/dbraw/zinc/17/49/18/1294174918.db2.gz OOTVVNCBYOJZCH-MAUKXSAKSA-N 2 2 344.528 3.279 20 0 EGADLP Oc1c(Cl)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180508656 1294895415 /nfs/dbraw/zinc/89/54/15/1294895415.db2.gz GSBWJTXCMCTDFU-UHFFFAOYSA-N 2 2 338.879 3.122 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)ccc1O ZINC000185403652 1295262325 /nfs/dbraw/zinc/26/23/25/1295262325.db2.gz PGDCYNQWFYJARJ-VXGBXAGGSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000185403652 1295262335 /nfs/dbraw/zinc/26/23/35/1295262335.db2.gz PGDCYNQWFYJARJ-VXGBXAGGSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404065 1295262514 /nfs/dbraw/zinc/26/25/14/1295262514.db2.gz IKKQUVPFQCAYMD-MNOVXSKESA-N 2 2 345.256 3.286 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404065 1295262526 /nfs/dbraw/zinc/26/25/26/1295262526.db2.gz IKKQUVPFQCAYMD-MNOVXSKESA-N 2 2 345.256 3.286 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(OC(C)C)C1 ZINC000189472837 1295524633 /nfs/dbraw/zinc/52/46/33/1295524633.db2.gz NBTLCDIBLGNCLG-UHFFFAOYSA-N 2 2 347.503 3.205 20 0 EGADLP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000237702461 1296258607 /nfs/dbraw/zinc/25/86/07/1296258607.db2.gz SIBDJXPMLBESOV-CVEARBPZSA-N 2 2 328.378 3.344 20 0 EGADLP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237702461 1296258620 /nfs/dbraw/zinc/25/86/20/1296258620.db2.gz SIBDJXPMLBESOV-CVEARBPZSA-N 2 2 328.378 3.344 20 0 EGADLP Cc1noc(C)c1C[NH+](C)C/C=C\C[N@@H+](C)Cc1c(C)noc1C ZINC000255062367 1296493744 /nfs/dbraw/zinc/49/37/44/1296493744.db2.gz KRRNPSYRVKPOAA-FPLPWBNLSA-N 2 2 332.448 3.016 20 0 EGADLP Cc1noc(C)c1C[NH+](C)C/C=C\C[N@H+](C)Cc1c(C)noc1C ZINC000255062367 1296493751 /nfs/dbraw/zinc/49/37/51/1296493751.db2.gz KRRNPSYRVKPOAA-FPLPWBNLSA-N 2 2 332.448 3.016 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898100 1297218467 /nfs/dbraw/zinc/21/84/67/1297218467.db2.gz VAXZIHKYIMWPNO-YOEHRIQHSA-N 2 2 349.500 3.052 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000326341468 1297234759 /nfs/dbraw/zinc/23/47/59/1297234759.db2.gz RZEQEFUOMVEJTP-NVXWUHKLSA-N 2 2 328.460 3.305 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+](C3CC3)[C@@H]2c2ccnn2C)[nH+]1 ZINC000344463719 1297333270 /nfs/dbraw/zinc/33/32/70/1297333270.db2.gz YLILXZPQBJTQPV-BEFAXECRSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+](C3CC3)[C@@H]2c2ccnn2C)[nH+]1 ZINC000344463719 1297333282 /nfs/dbraw/zinc/33/32/82/1297333282.db2.gz YLILXZPQBJTQPV-BEFAXECRSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000373108107 1297514840 /nfs/dbraw/zinc/51/48/40/1297514840.db2.gz ZZDFYBGFNLOQMB-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000373108107 1297514846 /nfs/dbraw/zinc/51/48/46/1297514846.db2.gz ZZDFYBGFNLOQMB-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000378906870 1297527893 /nfs/dbraw/zinc/52/78/93/1297527893.db2.gz FAYLJGPMTIKCMW-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1OC(F)F ZINC000378906870 1297527898 /nfs/dbraw/zinc/52/78/98/1297527898.db2.gz FAYLJGPMTIKCMW-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000378965672 1297531934 /nfs/dbraw/zinc/53/19/34/1297531934.db2.gz ZRDXIYXLWOJVQZ-UYAOXDASSA-N 2 2 332.488 3.064 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000378965672 1297531944 /nfs/dbraw/zinc/53/19/44/1297531944.db2.gz ZRDXIYXLWOJVQZ-UYAOXDASSA-N 2 2 332.488 3.064 20 0 EGADLP c1ccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2CCC[NH2+]C2)CC3)cc1 ZINC000691917799 1298139648 /nfs/dbraw/zinc/13/96/48/1298139648.db2.gz NBYWOVKEXSNSKZ-FQEVSTJZSA-N 3 2 327.516 3.117 20 0 EGADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746657547 1298633463 /nfs/dbraw/zinc/63/34/63/1298633463.db2.gz GPBIJLMIHYMUMS-QFIPXVFZSA-N 2 2 338.495 3.454 20 0 EGADLP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000746657547 1298633478 /nfs/dbraw/zinc/63/34/78/1298633478.db2.gz GPBIJLMIHYMUMS-QFIPXVFZSA-N 2 2 338.495 3.454 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000746674802 1298638600 /nfs/dbraw/zinc/63/86/00/1298638600.db2.gz JMFPRCMUXAZXSC-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000746674802 1298638610 /nfs/dbraw/zinc/63/86/10/1298638610.db2.gz JMFPRCMUXAZXSC-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779674 1298982889 /nfs/dbraw/zinc/98/28/89/1298982889.db2.gz BJKTXXHRMZHTNE-AWEZNQCLSA-N 2 2 348.441 3.139 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779674 1298982900 /nfs/dbraw/zinc/98/29/00/1298982900.db2.gz BJKTXXHRMZHTNE-AWEZNQCLSA-N 2 2 348.441 3.139 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779674 1298982913 /nfs/dbraw/zinc/98/29/13/1298982913.db2.gz BJKTXXHRMZHTNE-AWEZNQCLSA-N 2 2 348.441 3.139 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC000876779674 1298982922 /nfs/dbraw/zinc/98/29/22/1298982922.db2.gz BJKTXXHRMZHTNE-AWEZNQCLSA-N 2 2 348.441 3.139 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CS[C@@H](C)C1 ZINC000876828263 1299020864 /nfs/dbraw/zinc/02/08/64/1299020864.db2.gz PFSGFIMMYGQJAR-LSDHHAIUSA-N 2 2 335.517 3.143 20 0 EGADLP CC1(C)OCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000877338269 1299252276 /nfs/dbraw/zinc/25/22/76/1299252276.db2.gz AWFDNPGIGUMVQB-VQIMIIECSA-N 2 2 330.472 3.096 20 0 EGADLP CC1(C)OCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CO1 ZINC000877338269 1299252287 /nfs/dbraw/zinc/25/22/87/1299252287.db2.gz AWFDNPGIGUMVQB-VQIMIIECSA-N 2 2 330.472 3.096 20 0 EGADLP Cc1ccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c(N(C)C)[nH+]1 ZINC000750531312 1299418319 /nfs/dbraw/zinc/41/83/19/1299418319.db2.gz XDRFGIXPMOLKHD-UHFFFAOYSA-N 2 2 347.422 3.269 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665602 1299465699 /nfs/dbraw/zinc/46/56/99/1299465699.db2.gz CGAMABPHIOIORG-PBHICJAKSA-N 2 2 331.410 3.218 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665602 1299465701 /nfs/dbraw/zinc/46/57/01/1299465701.db2.gz CGAMABPHIOIORG-PBHICJAKSA-N 2 2 331.410 3.218 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](CCc2ccccc2Br)CC1 ZINC000878511174 1300044174 /nfs/dbraw/zinc/04/41/74/1300044174.db2.gz AZGIULSMJASROO-OAHLLOKOSA-N 2 2 325.294 3.408 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC000878511174 1300044186 /nfs/dbraw/zinc/04/41/86/1300044186.db2.gz AZGIULSMJASROO-OAHLLOKOSA-N 2 2 325.294 3.408 20 0 EGADLP C[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000754499179 1300153091 /nfs/dbraw/zinc/15/30/91/1300153091.db2.gz FPOWGDKNPJCALW-INIZCTEOSA-N 2 2 327.428 3.180 20 0 EGADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215973 1300300626 /nfs/dbraw/zinc/30/06/26/1300300626.db2.gz YZJZSXFPICICKB-YTASEIDHSA-N 2 2 347.547 3.138 20 0 EGADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215973 1300300638 /nfs/dbraw/zinc/30/06/38/1300300638.db2.gz YZJZSXFPICICKB-YTASEIDHSA-N 2 2 347.547 3.138 20 0 EGADLP C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000759135593 1301023371 /nfs/dbraw/zinc/02/33/71/1301023371.db2.gz NGJOHOMVQHZKAM-CABCVRRESA-N 2 2 327.513 3.142 20 0 EGADLP C[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000759135593 1301023383 /nfs/dbraw/zinc/02/33/83/1301023383.db2.gz NGJOHOMVQHZKAM-CABCVRRESA-N 2 2 327.513 3.142 20 0 EGADLP c1cn(C[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)c2ccccc2)c[nH+]1 ZINC000880569668 1301166452 /nfs/dbraw/zinc/16/64/52/1301166452.db2.gz OAFNYCKKSCBRHA-MSOLQXFVSA-N 2 2 335.407 3.054 20 0 EGADLP Cc1nc(NCCCCNc2nc(C)[nH+]c(C)c2C)c(C)c(C)[nH+]1 ZINC000765625892 1302291661 /nfs/dbraw/zinc/29/16/61/1302291661.db2.gz JRRXYCYEHWFGEE-UHFFFAOYSA-N 2 2 328.464 3.421 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766272495 1302418319 /nfs/dbraw/zinc/41/83/19/1302418319.db2.gz JIVVGJUQYZWFCG-HZPDHXFCSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766272495 1302418321 /nfs/dbraw/zinc/41/83/21/1302418321.db2.gz JIVVGJUQYZWFCG-HZPDHXFCSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(Cl)nc(Cl)n2C)CC1 ZINC000768926104 1303014296 /nfs/dbraw/zinc/01/42/96/1303014296.db2.gz IRSBLFJKJKQZGB-UHFFFAOYSA-N 2 2 333.307 3.279 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(Cl)nc(Cl)n2C)CC1 ZINC000768926104 1303014302 /nfs/dbraw/zinc/01/43/02/1303014302.db2.gz IRSBLFJKJKQZGB-UHFFFAOYSA-N 2 2 333.307 3.279 20 0 EGADLP COc1ncc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1Cl ZINC000886664305 1303544918 /nfs/dbraw/zinc/54/49/18/1303544918.db2.gz IJVQEHYRDBOUIY-UHFFFAOYSA-N 2 2 334.851 3.463 20 0 EGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000775408435 1303959528 /nfs/dbraw/zinc/95/95/28/1303959528.db2.gz JXZCGFPAUYKRFF-APWZRJJASA-N 2 2 330.472 3.485 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000775691438 1304017164 /nfs/dbraw/zinc/01/71/64/1304017164.db2.gz VDGSHGJVYJINJN-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000775691438 1304017172 /nfs/dbraw/zinc/01/71/72/1304017172.db2.gz VDGSHGJVYJINJN-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC2(CCCC2)OC1=O ZINC000778572131 1304469280 /nfs/dbraw/zinc/46/92/80/1304469280.db2.gz UYQBJYXCZGJJEF-UHFFFAOYSA-N 2 2 345.487 3.293 20 0 EGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC2(CCCC2)OC1=O ZINC000778572131 1304469281 /nfs/dbraw/zinc/46/92/81/1304469281.db2.gz UYQBJYXCZGJJEF-UHFFFAOYSA-N 2 2 345.487 3.293 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)nc3C3CC3)C2)CC1 ZINC000891823638 1305179238 /nfs/dbraw/zinc/17/92/38/1305179238.db2.gz WTQLSEGLOGOKMW-KRWDZBQOSA-N 2 2 330.520 3.241 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3C3CC3)C2)CC1 ZINC000891823638 1305179242 /nfs/dbraw/zinc/17/92/42/1305179242.db2.gz WTQLSEGLOGOKMW-KRWDZBQOSA-N 2 2 330.520 3.241 20 0 EGADLP CCn1cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c(C)n1 ZINC000892095183 1305248422 /nfs/dbraw/zinc/24/84/22/1305248422.db2.gz MCIAIPFAQLETBP-UHFFFAOYSA-N 2 2 341.503 3.345 20 0 EGADLP CCn1cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c(C)n1 ZINC000892095183 1305248428 /nfs/dbraw/zinc/24/84/28/1305248428.db2.gz MCIAIPFAQLETBP-UHFFFAOYSA-N 2 2 341.503 3.345 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)n2)c1 ZINC000892714402 1305519669 /nfs/dbraw/zinc/51/96/69/1305519669.db2.gz ZHSFNXMABWXGGN-AWEZNQCLSA-N 2 2 342.468 3.441 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788252257 1305907386 /nfs/dbraw/zinc/90/73/86/1305907386.db2.gz ZOZHPYRHFWDTAB-CVEARBPZSA-N 2 2 327.513 3.142 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788252257 1305907398 /nfs/dbraw/zinc/90/73/98/1305907398.db2.gz ZOZHPYRHFWDTAB-CVEARBPZSA-N 2 2 327.513 3.142 20 0 EGADLP Cc1ncoc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093865 1306213471 /nfs/dbraw/zinc/21/34/71/1306213471.db2.gz IYWVHQQORMYHES-MOPGFXCFSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093865 1306213476 /nfs/dbraw/zinc/21/34/76/1306213476.db2.gz IYWVHQQORMYHES-MOPGFXCFSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000894093865 1306213484 /nfs/dbraw/zinc/21/34/84/1306213484.db2.gz IYWVHQQORMYHES-MOPGFXCFSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093865 1306213493 /nfs/dbraw/zinc/21/34/93/1306213493.db2.gz IYWVHQQORMYHES-MOPGFXCFSA-N 2 2 325.456 3.470 20 0 EGADLP O=c1oc2ccc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cc2o1 ZINC000894775761 1309065121 /nfs/dbraw/zinc/06/51/21/1309065121.db2.gz BVSTXLSFHMWOAK-UHFFFAOYSA-N 2 2 341.411 3.275 20 0 EGADLP CC(C)n1nccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000792995696 1309277778 /nfs/dbraw/zinc/27/77/78/1309277778.db2.gz NEHDXGCHGGQROF-UHFFFAOYSA-N 2 2 341.503 3.289 20 0 EGADLP CCOc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1O ZINC000896195500 1309738576 /nfs/dbraw/zinc/73/85/76/1309738576.db2.gz LXRKVOLTLZTHDP-UHFFFAOYSA-N 2 2 327.428 3.262 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896194873 1309738896 /nfs/dbraw/zinc/73/88/96/1309738896.db2.gz HYPAKZUKFDKHQR-UHFFFAOYSA-N 2 2 348.491 3.261 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796253096 1309945837 /nfs/dbraw/zinc/94/58/37/1309945837.db2.gz FWDZIEVGJSUBTO-UHFFFAOYSA-N 2 2 329.275 3.319 20 0 EGADLP CC(C)(C)OC(=O)NCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000798270902 1310331487 /nfs/dbraw/zinc/33/14/87/1310331487.db2.gz YYNUAPCALJWEBS-KRWDZBQOSA-N 2 2 347.503 3.154 20 0 EGADLP CC(C)(C)OC(=O)NCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000798270902 1310331495 /nfs/dbraw/zinc/33/14/95/1310331495.db2.gz YYNUAPCALJWEBS-KRWDZBQOSA-N 2 2 347.503 3.154 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000929527862 1328627211 /nfs/dbraw/zinc/62/72/11/1328627211.db2.gz WPLBULKZWNSADI-OALUTQOASA-N 2 2 341.455 3.085 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000929527862 1328627218 /nfs/dbraw/zinc/62/72/18/1328627218.db2.gz WPLBULKZWNSADI-OALUTQOASA-N 2 2 341.455 3.085 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018994992 1316997741 /nfs/dbraw/zinc/99/77/41/1316997741.db2.gz UFNIFNGYADOPMC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001018994992 1316997745 /nfs/dbraw/zinc/99/77/45/1316997745.db2.gz UFNIFNGYADOPMC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CN(C)c1c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc(F)c1F ZINC000858100937 1328682876 /nfs/dbraw/zinc/68/28/76/1328682876.db2.gz SUAFHZPRINNVLV-UHFFFAOYSA-N 2 2 325.447 3.383 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ncccn1 ZINC000929754181 1328687940 /nfs/dbraw/zinc/68/79/40/1328687940.db2.gz CUFYSVDOADNSQV-INIZCTEOSA-N 2 2 325.460 3.171 20 0 EGADLP CC(C)[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CC1 ZINC000957568154 1317465996 /nfs/dbraw/zinc/46/59/96/1317465996.db2.gz FKSBPHINDZGTGP-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586589 1317479296 /nfs/dbraw/zinc/47/92/96/1317479296.db2.gz NYTYUXBRVHLAHV-SFHVURJKSA-N 2 2 346.519 3.024 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000903054137 1317642394 /nfs/dbraw/zinc/64/23/94/1317642394.db2.gz GYRRWNSAUGPHRR-UQASEVPWSA-N 2 2 344.499 3.162 20 0 EGADLP C[N@@H+](Cc1csc2ccccc12)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885632 1317742564 /nfs/dbraw/zinc/74/25/64/1317742564.db2.gz NWHGGPXOKFTDLW-HNNXBMFYSA-N 2 2 341.484 3.049 20 0 EGADLP C[N@H+](Cc1csc2ccccc12)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885632 1317742571 /nfs/dbraw/zinc/74/25/71/1317742571.db2.gz NWHGGPXOKFTDLW-HNNXBMFYSA-N 2 2 341.484 3.049 20 0 EGADLP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904309662 1317828931 /nfs/dbraw/zinc/82/89/31/1317828931.db2.gz ONFZLEZAVRUXTF-UYAOXDASSA-N 2 2 332.488 3.066 20 0 EGADLP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@]1(C)CCC[NH2+]C1 ZINC000904309662 1317828940 /nfs/dbraw/zinc/82/89/40/1317828940.db2.gz ONFZLEZAVRUXTF-UYAOXDASSA-N 2 2 332.488 3.066 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000904313562 1317829255 /nfs/dbraw/zinc/82/92/55/1317829255.db2.gz HTLNOTAUYCMNIY-KRWDZBQOSA-N 2 2 337.552 3.301 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC001021129851 1318108239 /nfs/dbraw/zinc/10/82/39/1318108239.db2.gz ILWLOQOVHKGTCP-YSSFQJQWSA-N 2 2 348.450 3.034 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000812825476 1318464536 /nfs/dbraw/zinc/46/45/36/1318464536.db2.gz USCUHODCGWDIBF-OAHLLOKOSA-N 2 2 346.441 3.304 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000813784782 1318632036 /nfs/dbraw/zinc/63/20/36/1318632036.db2.gz SAQXLPBCFPMKEE-AWEZNQCLSA-N 2 2 334.895 3.181 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OC ZINC000817948592 1319473155 /nfs/dbraw/zinc/47/31/55/1319473155.db2.gz BWCIEUKAPQUFLZ-QFBILLFUSA-N 3 2 333.520 3.330 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)CCC[NH2+]1 ZINC000817975284 1319482411 /nfs/dbraw/zinc/48/24/11/1319482411.db2.gz SOAVNKDBFYFIBH-SUMWQHHRSA-N 2 2 326.868 3.076 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ncc1F ZINC000817985259 1319487075 /nfs/dbraw/zinc/48/70/75/1319487075.db2.gz IOQYAHCYQTULJX-MNOVXSKESA-N 2 2 342.256 3.309 20 0 EGADLP O[C@H](C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000917017812 1319740977 /nfs/dbraw/zinc/74/09/77/1319740977.db2.gz ZHOUPVCVOCOOKL-HNNXBMFYSA-N 2 2 343.298 3.415 20 0 EGADLP O[C@H](C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000917017812 1319740986 /nfs/dbraw/zinc/74/09/86/1319740986.db2.gz ZHOUPVCVOCOOKL-HNNXBMFYSA-N 2 2 343.298 3.415 20 0 EGADLP Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cn2cc[nH+]c12 ZINC000820592501 1319917810 /nfs/dbraw/zinc/91/78/10/1319917810.db2.gz HOUNIAQXAFJZAI-UHFFFAOYSA-N 2 2 338.411 3.474 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000823518047 1320184663 /nfs/dbraw/zinc/18/46/63/1320184663.db2.gz KFNJZFBPTZRJDW-WMZOPIPTSA-N 2 2 347.503 3.207 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000823944234 1320217738 /nfs/dbraw/zinc/21/77/38/1320217738.db2.gz UHNGHORWAWRECR-XLIONFOSSA-N 2 2 331.504 3.269 20 0 EGADLP CCn1ncc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000838901891 1320830985 /nfs/dbraw/zinc/83/09/85/1320830985.db2.gz UWAXIUYCAXMXHV-IRXDYDNUSA-N 2 2 341.503 3.066 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H](O)C(C)C ZINC000840882606 1321169308 /nfs/dbraw/zinc/16/93/08/1321169308.db2.gz QIQIVWTUPKWZTH-WOJBJXKFSA-N 2 2 333.520 3.107 20 0 EGADLP COC1([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1 ZINC000840885645 1321170586 /nfs/dbraw/zinc/17/05/86/1321170586.db2.gz ZDGZZDNBKHPSKD-INIZCTEOSA-N 2 2 331.504 3.269 20 0 EGADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048372 1321461288 /nfs/dbraw/zinc/46/12/88/1321461288.db2.gz NBSAEXPOEBDREA-MRXNPFEDSA-N 2 2 346.906 3.489 20 0 EGADLP CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048372 1321461293 /nfs/dbraw/zinc/46/12/93/1321461293.db2.gz NBSAEXPOEBDREA-MRXNPFEDSA-N 2 2 346.906 3.489 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843051977 1321462399 /nfs/dbraw/zinc/46/23/99/1321462399.db2.gz NPPAIEBURBNICP-UKRRQHHQSA-N 2 2 332.879 3.393 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843051977 1321462402 /nfs/dbraw/zinc/46/24/02/1321462402.db2.gz NPPAIEBURBNICP-UKRRQHHQSA-N 2 2 332.879 3.393 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@@H+](C)CC[C@@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354469 1321504943 /nfs/dbraw/zinc/50/49/43/1321504943.db2.gz IMHBAIFHUDJAOH-MSOLQXFVSA-N 2 2 331.504 3.022 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@H+](C)CC[C@@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354469 1321504945 /nfs/dbraw/zinc/50/49/45/1321504945.db2.gz IMHBAIFHUDJAOH-MSOLQXFVSA-N 2 2 331.504 3.022 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000844171880 1321575329 /nfs/dbraw/zinc/57/53/29/1321575329.db2.gz MWOSVURNRPOPHS-ZWKOTPCHSA-N 2 2 348.535 3.492 20 0 EGADLP CC[N@H+](CCC[NH2+]Cc1cnc([C@@H](C)O)s1)C1CCCCC1 ZINC000846022803 1321763107 /nfs/dbraw/zinc/76/31/07/1321763107.db2.gz OHQRYZGJVHLSRP-CQSZACIVSA-N 2 2 325.522 3.331 20 0 EGADLP CC[N@@H+](CCC[NH2+]Cc1cnc([C@@H](C)O)s1)C1CCCCC1 ZINC000846022803 1321763110 /nfs/dbraw/zinc/76/31/10/1321763110.db2.gz OHQRYZGJVHLSRP-CQSZACIVSA-N 2 2 325.522 3.331 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccco1 ZINC000849051094 1322059120 /nfs/dbraw/zinc/05/91/20/1322059120.db2.gz WPFSIQCUDNWKLY-CJNGLKHVSA-N 2 2 330.432 3.354 20 0 EGADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)cc1 ZINC000849078248 1322068905 /nfs/dbraw/zinc/06/89/05/1322068905.db2.gz YUSYORZHERJZBM-SFHVURJKSA-N 2 2 332.492 3.087 20 0 EGADLP COc1cncc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000850035285 1322186560 /nfs/dbraw/zinc/18/65/60/1322186560.db2.gz UKHXQRHVPPMNBD-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CCCn1nccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850160738 1322201265 /nfs/dbraw/zinc/20/12/65/1322201265.db2.gz ZCUPMXXABKNAJD-UHFFFAOYSA-N 2 2 341.503 3.118 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000850557253 1322265917 /nfs/dbraw/zinc/26/59/17/1322265917.db2.gz MZFSOXCDGPPCSW-FUHWJXTLSA-N 2 2 332.488 3.216 20 0 EGADLP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923416440 1322747523 /nfs/dbraw/zinc/74/75/23/1322747523.db2.gz WENXFZGQCCJZKT-GOEBONIOSA-N 2 2 342.405 3.243 20 0 EGADLP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923416440 1322747529 /nfs/dbraw/zinc/74/75/29/1322747529.db2.gz WENXFZGQCCJZKT-GOEBONIOSA-N 2 2 342.405 3.243 20 0 EGADLP Cc1[nH]c(C2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)[nH+]c1C ZINC000924318700 1322978305 /nfs/dbraw/zinc/97/83/05/1322978305.db2.gz NGRQURZZHYLJQT-UHFFFAOYSA-N 2 2 346.500 3.169 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001024072298 1323110603 /nfs/dbraw/zinc/11/06/03/1323110603.db2.gz WDRDODQGWXRNOG-WHDUELSGSA-N 2 2 343.515 3.495 20 0 EGADLP O[C@@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000852115370 1323150176 /nfs/dbraw/zinc/15/01/76/1323150176.db2.gz OKKPQPUIQDVSFQ-FQEVSTJZSA-N 2 2 328.431 3.113 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(Nc4ccccc4)n3)C[C@@H]2C1 ZINC000931430990 1329116041 /nfs/dbraw/zinc/11/60/41/1329116041.db2.gz UKBLPPHJFMVBCC-CABCVRRESA-N 2 2 328.485 3.270 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3csc(Nc4ccccc4)n3)C[C@@H]2C1 ZINC000931430990 1329116043 /nfs/dbraw/zinc/11/60/43/1329116043.db2.gz UKBLPPHJFMVBCC-CABCVRRESA-N 2 2 328.485 3.270 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3csc(Nc4ccccc4)n3)C[C@@H]2C1 ZINC000931430990 1329116044 /nfs/dbraw/zinc/11/60/44/1329116044.db2.gz UKBLPPHJFMVBCC-CABCVRRESA-N 2 2 328.485 3.270 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(Nc4ccccc4)n3)C[C@@H]2C1 ZINC000931430990 1329116046 /nfs/dbraw/zinc/11/60/46/1329116046.db2.gz UKBLPPHJFMVBCC-CABCVRRESA-N 2 2 328.485 3.270 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286800 1324107518 /nfs/dbraw/zinc/10/75/18/1324107518.db2.gz AVBRGKJUWMWKHE-IRXDYDNUSA-N 2 2 346.519 3.333 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286800 1324107520 /nfs/dbraw/zinc/10/75/20/1324107520.db2.gz AVBRGKJUWMWKHE-IRXDYDNUSA-N 2 2 346.519 3.333 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001026919311 1325083161 /nfs/dbraw/zinc/08/31/61/1325083161.db2.gz GSFVNGXSSZYNAE-HZPDHXFCSA-N 2 2 348.450 3.376 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]Cc3ccsc3)C2)c(C)[nH+]1 ZINC001026966179 1325112712 /nfs/dbraw/zinc/11/27/12/1325112712.db2.gz OBCAEMADOOKPEF-INIZCTEOSA-N 2 2 343.496 3.320 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333230 1325117833 /nfs/dbraw/zinc/11/78/33/1325117833.db2.gz KXWNPDZFVUKJFV-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333230 1325117838 /nfs/dbraw/zinc/11/78/38/1325117838.db2.gz KXWNPDZFVUKJFV-DLBZAZTESA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339960 1325131938 /nfs/dbraw/zinc/13/19/38/1325131938.db2.gz NKDSGLCQODPQDH-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339960 1325131947 /nfs/dbraw/zinc/13/19/47/1325131947.db2.gz NKDSGLCQODPQDH-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP FC(F)(F)c1ccc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925498908 1325179281 /nfs/dbraw/zinc/17/92/81/1325179281.db2.gz TUCGLPKYPIHAHG-HOCLYGCPSA-N 2 2 339.405 3.158 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374650 1325180845 /nfs/dbraw/zinc/18/08/45/1325180845.db2.gz RBOMEEVACCBTAX-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374650 1325180849 /nfs/dbraw/zinc/18/08/49/1325180849.db2.gz RBOMEEVACCBTAX-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506090 1325182212 /nfs/dbraw/zinc/18/22/12/1325182212.db2.gz XMGQDKJIHXVWQH-CQQLTZKSSA-N 3 2 327.516 3.331 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386782 1325186923 /nfs/dbraw/zinc/18/69/23/1325186923.db2.gz RDCPLIHWMCJHQR-DLBZAZTESA-N 2 2 346.519 3.190 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386782 1325186930 /nfs/dbraw/zinc/18/69/30/1325186930.db2.gz RDCPLIHWMCJHQR-DLBZAZTESA-N 2 2 346.519 3.190 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000925561211 1325208884 /nfs/dbraw/zinc/20/88/84/1325208884.db2.gz PZFXPSITASWYMI-IFXJQAMLSA-N 2 2 341.430 3.308 20 0 EGADLP CN1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925631100 1325239469 /nfs/dbraw/zinc/23/94/69/1325239469.db2.gz UQPNCRKRJALJHQ-COXVUDFISA-N 2 2 339.886 3.202 20 0 EGADLP COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)s1 ZINC000926614430 1327635524 /nfs/dbraw/zinc/63/55/24/1327635524.db2.gz HVQXCXLKXGMTLG-OLZOCXBDSA-N 2 2 347.484 3.403 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cn1 ZINC000926745280 1327696246 /nfs/dbraw/zinc/69/62/46/1327696246.db2.gz NDQYOHYYVCCDQC-IHPCNDPISA-N 2 2 330.520 3.128 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000926745280 1327696248 /nfs/dbraw/zinc/69/62/48/1327696248.db2.gz NDQYOHYYVCCDQC-IHPCNDPISA-N 2 2 330.520 3.128 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([N@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001027500636 1327765473 /nfs/dbraw/zinc/76/54/73/1327765473.db2.gz IFHZCNSXGBMMNI-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001027500636 1327765479 /nfs/dbraw/zinc/76/54/79/1327765479.db2.gz IFHZCNSXGBMMNI-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598506 1327949758 /nfs/dbraw/zinc/94/97/58/1327949758.db2.gz RLCHTISMBXBTBS-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001027598506 1327949764 /nfs/dbraw/zinc/94/97/64/1327949764.db2.gz RLCHTISMBXBTBS-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[N@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649293 1328027916 /nfs/dbraw/zinc/02/79/16/1328027916.db2.gz HNELFYHNAXNLKX-KRWDZBQOSA-N 2 2 344.503 3.111 20 0 EGADLP C[N@@H+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649293 1328027926 /nfs/dbraw/zinc/02/79/26/1328027926.db2.gz HNELFYHNAXNLKX-KRWDZBQOSA-N 2 2 344.503 3.111 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCC(C)C)CC[C@H]3C)ccn12 ZINC000966133626 1328201517 /nfs/dbraw/zinc/20/15/17/1328201517.db2.gz OKOZIBADLKXVPR-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCC(C)C)CC[C@H]3C)ccn12 ZINC000966133626 1328201522 /nfs/dbraw/zinc/20/15/22/1328201522.db2.gz OKOZIBADLKXVPR-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]2C)c[nH+]1 ZINC000966908670 1328468812 /nfs/dbraw/zinc/46/88/12/1328468812.db2.gz UVLIBEUDPADYCL-WBVHZDCISA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[N@H+](CCC(C)(C)C)CC[C@H]2C)c[nH+]1 ZINC000966908670 1328468815 /nfs/dbraw/zinc/46/88/15/1328468815.db2.gz UVLIBEUDPADYCL-WBVHZDCISA-N 2 2 348.535 3.189 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc2)c1 ZINC000863652915 1329570836 /nfs/dbraw/zinc/57/08/36/1329570836.db2.gz YXCXGXUYPQASAP-CQSZACIVSA-N 2 2 330.428 3.275 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc2)c1 ZINC000863652915 1329570837 /nfs/dbraw/zinc/57/08/37/1329570837.db2.gz YXCXGXUYPQASAP-CQSZACIVSA-N 2 2 330.428 3.275 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865505977 1329706532 /nfs/dbraw/zinc/70/65/32/1329706532.db2.gz NWBYZCJASFYHFZ-CQSZACIVSA-N 2 2 340.309 3.302 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccnc2Br)C1 ZINC000865505977 1329706534 /nfs/dbraw/zinc/70/65/34/1329706534.db2.gz NWBYZCJASFYHFZ-CQSZACIVSA-N 2 2 340.309 3.302 20 0 EGADLP CCCNc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nc[nH+]1 ZINC000865631914 1329722748 /nfs/dbraw/zinc/72/27/48/1329722748.db2.gz POVNMXJHRDUZLH-OAHLLOKOSA-N 2 2 340.475 3.331 20 0 EGADLP C[NH+](C)[C@H]1CCCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865727584 1329733287 /nfs/dbraw/zinc/73/32/87/1329733287.db2.gz BNFFARIJNUOHNV-KRWDZBQOSA-N 2 2 325.460 3.009 20 0 EGADLP C[NH+](C)[C@H]1CCCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865727584 1329733288 /nfs/dbraw/zinc/73/32/88/1329733288.db2.gz BNFFARIJNUOHNV-KRWDZBQOSA-N 2 2 325.460 3.009 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000933948491 1329935776 /nfs/dbraw/zinc/93/57/76/1329935776.db2.gz GLLVSEWMJNSZPN-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000933948491 1329935777 /nfs/dbraw/zinc/93/57/77/1329935777.db2.gz GLLVSEWMJNSZPN-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935076055 1330026976 /nfs/dbraw/zinc/02/69/76/1330026976.db2.gz DZMXQHFKJGDXRL-RTBURBONSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935076055 1330026977 /nfs/dbraw/zinc/02/69/77/1330026977.db2.gz DZMXQHFKJGDXRL-RTBURBONSA-N 2 2 349.563 3.362 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271526 1330088771 /nfs/dbraw/zinc/08/87/71/1330088771.db2.gz MYCMZKSDKMOMJM-LEWJYISDSA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271526 1330088772 /nfs/dbraw/zinc/08/87/72/1330088772.db2.gz MYCMZKSDKMOMJM-LEWJYISDSA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000866467630 1330116177 /nfs/dbraw/zinc/11/61/77/1330116177.db2.gz MEYGIFFHKIZKII-UHFFFAOYSA-N 3 2 330.520 3.151 20 0 EGADLP CC1(C)C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940837804 1331214131 /nfs/dbraw/zinc/21/41/31/1331214131.db2.gz BBVPBRMIHJKXEV-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940837804 1331214134 /nfs/dbraw/zinc/21/41/34/1331214134.db2.gz BBVPBRMIHJKXEV-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948655995 1333615131 /nfs/dbraw/zinc/61/51/31/1333615131.db2.gz QWKSZRQBNXGGPP-SFHVURJKSA-N 2 2 340.471 3.209 20 0 EGADLP CCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948655995 1333615135 /nfs/dbraw/zinc/61/51/35/1333615135.db2.gz QWKSZRQBNXGGPP-SFHVURJKSA-N 2 2 340.471 3.209 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948812928 1333693425 /nfs/dbraw/zinc/69/34/25/1333693425.db2.gz OSWUTLMDWCVLOZ-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948812928 1333693426 /nfs/dbraw/zinc/69/34/26/1333693426.db2.gz OSWUTLMDWCVLOZ-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950047641 1334001830 /nfs/dbraw/zinc/00/18/30/1334001830.db2.gz ALJITBGGIZIVFK-XLIONFOSSA-N 2 2 343.515 3.153 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950047641 1334001834 /nfs/dbraw/zinc/00/18/34/1334001834.db2.gz ALJITBGGIZIVFK-XLIONFOSSA-N 2 2 343.515 3.153 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000950088425 1334012460 /nfs/dbraw/zinc/01/24/60/1334012460.db2.gz FSACHUIAFCOKID-RBUKOAKNSA-N 2 2 349.494 3.007 20 0 EGADLP C[C@@H](CC(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1)n1cc[nH+]c1 ZINC000950961277 1334161466 /nfs/dbraw/zinc/16/14/66/1334161466.db2.gz AYWMIFDDOJOWOJ-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@]1([NH3+])CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205273466 1370703264 /nfs/dbraw/zinc/70/32/64/1370703264.db2.gz LOZDQWGEEVSIFE-HNNXBMFYSA-N 2 2 328.913 3.100 20 0 EGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001205273466 1370703268 /nfs/dbraw/zinc/70/32/68/1370703268.db2.gz LOZDQWGEEVSIFE-HNNXBMFYSA-N 2 2 328.913 3.100 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205314879 1370718803 /nfs/dbraw/zinc/71/88/03/1370718803.db2.gz DFQDZVBCUJRJJM-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC001205314879 1370718807 /nfs/dbraw/zinc/71/88/07/1370718807.db2.gz DFQDZVBCUJRJJM-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP O=C(N[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937186 1337958937 /nfs/dbraw/zinc/95/89/37/1337958937.db2.gz KIYGHTUBDZVOOQ-GINYUPMKSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014937186 1337958939 /nfs/dbraw/zinc/95/89/39/1337958939.db2.gz KIYGHTUBDZVOOQ-GINYUPMKSA-N 2 2 346.434 3.080 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239782 1340501298 /nfs/dbraw/zinc/50/12/98/1340501298.db2.gz WOPIOELOJYESSC-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239782 1340501304 /nfs/dbraw/zinc/50/13/04/1340501304.db2.gz WOPIOELOJYESSC-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001030389306 1341184333 /nfs/dbraw/zinc/18/43/33/1341184333.db2.gz XMNAXYKNLLEINY-UHFFFAOYSA-N 2 2 347.528 3.114 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034763538 1342743600 /nfs/dbraw/zinc/74/36/00/1342743600.db2.gz KWHWVTMOGAZDPN-BRWVUGGUSA-N 2 2 340.471 3.039 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001034975152 1342861085 /nfs/dbraw/zinc/86/10/85/1342861085.db2.gz SBMLWVMMRULOBX-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001036449403 1343494352 /nfs/dbraw/zinc/49/43/52/1343494352.db2.gz FYUNRNAUHNSUGY-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001036476222 1343506137 /nfs/dbraw/zinc/50/61/37/1343506137.db2.gz YXSNPBOYLSFFIZ-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001037911097 1344173751 /nfs/dbraw/zinc/17/37/51/1344173751.db2.gz YVXFEHSQHWZFNH-RBUKOAKNSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037996929 1344226633 /nfs/dbraw/zinc/22/66/33/1344226633.db2.gz NSBWIRNCVHJVLE-OALUTQOASA-N 2 2 346.519 3.070 20 0 EGADLP CC1CCC(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001038416734 1344419545 /nfs/dbraw/zinc/41/95/45/1344419545.db2.gz OZCKVWNJZRVVHW-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CCC(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001038416734 1344419548 /nfs/dbraw/zinc/41/95/48/1344419548.db2.gz OZCKVWNJZRVVHW-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236811 1344958674 /nfs/dbraw/zinc/95/86/74/1344958674.db2.gz CUTIFAJZCMRXKE-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236811 1344958676 /nfs/dbraw/zinc/95/86/76/1344958676.db2.gz CUTIFAJZCMRXKE-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868522 1345590375 /nfs/dbraw/zinc/59/03/75/1345590375.db2.gz UNTGPPLBFKUWSP-GOSISDBHSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041785948 1345849529 /nfs/dbraw/zinc/84/95/29/1345849529.db2.gz BPMRTVWAVDEEHF-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001041785948 1345849530 /nfs/dbraw/zinc/84/95/30/1345849530.db2.gz BPMRTVWAVDEEHF-FQEVSTJZSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043091848 1346139425 /nfs/dbraw/zinc/13/94/25/1346139425.db2.gz MXWKESHIISYJGF-HXUWFJFHSA-N 2 2 348.450 3.470 20 0 EGADLP CN(C(=O)c1occc1C[NH+](C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC001043668290 1346198376 /nfs/dbraw/zinc/19/83/76/1346198376.db2.gz WNALOSKVBBADMK-UHFFFAOYSA-N 2 2 347.503 3.068 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044757925 1346421882 /nfs/dbraw/zinc/42/18/82/1346421882.db2.gz WTOMZCYUOJHALW-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044809873 1346432529 /nfs/dbraw/zinc/43/25/29/1346432529.db2.gz RWMLMXLKOHNDGY-RDJZCZTQSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)=CC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439610 1346594762 /nfs/dbraw/zinc/59/47/62/1346594762.db2.gz QFEXZVKJMNLCFD-UHFFFAOYSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001045856542 1346722377 /nfs/dbraw/zinc/72/23/77/1346722377.db2.gz PDJWMHNXCDQUQV-KSZLIROESA-N 2 2 346.519 3.336 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001045856542 1346722380 /nfs/dbraw/zinc/72/23/80/1346722380.db2.gz PDJWMHNXCDQUQV-KSZLIROESA-N 2 2 346.519 3.336 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739554 1347077281 /nfs/dbraw/zinc/07/72/81/1347077281.db2.gz PNTRFJFKXRVCNP-FQEVSTJZSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739554 1347077283 /nfs/dbraw/zinc/07/72/83/1347077283.db2.gz PNTRFJFKXRVCNP-FQEVSTJZSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258450 1347281228 /nfs/dbraw/zinc/28/12/28/1347281228.db2.gz ZFGFDMIBOPZJIX-MJGOQNOKSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551730 1347904108 /nfs/dbraw/zinc/90/41/08/1347904108.db2.gz IPFTUBGBXXSVGO-OALUTQOASA-N 2 2 338.455 3.208 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551730 1347904111 /nfs/dbraw/zinc/90/41/11/1347904111.db2.gz IPFTUBGBXXSVGO-OALUTQOASA-N 2 2 338.455 3.208 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)c[nH+]1 ZINC001052488935 1348554995 /nfs/dbraw/zinc/55/49/95/1348554995.db2.gz KSQMLOLTPIYARP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)c[nH+]1 ZINC001052488935 1348554997 /nfs/dbraw/zinc/55/49/97/1348554997.db2.gz KSQMLOLTPIYARP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CC3CCCC3)CC2)c[nH+]1 ZINC001052490953 1348555604 /nfs/dbraw/zinc/55/56/04/1348555604.db2.gz XILXGPGSQQGTRY-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)CC2)c[nH+]1 ZINC001052490953 1348555606 /nfs/dbraw/zinc/55/56/06/1348555606.db2.gz XILXGPGSQQGTRY-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824122 1348691253 /nfs/dbraw/zinc/69/12/53/1348691253.db2.gz UZMRJGRKIGAUFM-ROUUACIJSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824122 1348691254 /nfs/dbraw/zinc/69/12/54/1348691254.db2.gz UZMRJGRKIGAUFM-ROUUACIJSA-N 2 2 340.471 3.074 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087497 1348910333 /nfs/dbraw/zinc/91/03/33/1348910333.db2.gz LJGZDYVKIFXHOB-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087497 1348910337 /nfs/dbraw/zinc/91/03/37/1348910337.db2.gz LJGZDYVKIFXHOB-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087497 1348910343 /nfs/dbraw/zinc/91/03/43/1348910343.db2.gz LJGZDYVKIFXHOB-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087497 1348910345 /nfs/dbraw/zinc/91/03/45/1348910345.db2.gz LJGZDYVKIFXHOB-HKUYNNGSSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053094148 1348922843 /nfs/dbraw/zinc/92/28/43/1348922843.db2.gz UAJPGEDMUYDZHZ-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053094148 1348922850 /nfs/dbraw/zinc/92/28/50/1348922850.db2.gz UAJPGEDMUYDZHZ-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228635 1349222509 /nfs/dbraw/zinc/22/25/09/1349222509.db2.gz VNFQUISTKQNRRW-OXJNMPFZSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228635 1349222510 /nfs/dbraw/zinc/22/25/10/1349222510.db2.gz VNFQUISTKQNRRW-OXJNMPFZSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054719948 1349446680 /nfs/dbraw/zinc/44/66/80/1349446680.db2.gz KCNZCCUWZWKCKK-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054719948 1349446689 /nfs/dbraw/zinc/44/66/89/1349446689.db2.gz KCNZCCUWZWKCKK-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001054798116 1349464811 /nfs/dbraw/zinc/46/48/11/1349464811.db2.gz QARJJOAHTKARST-MGPUTAFESA-N 2 2 348.450 3.122 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054951349 1349526098 /nfs/dbraw/zinc/52/60/98/1349526098.db2.gz LYAWWVTYCKYQAT-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510723 1354734595 /nfs/dbraw/zinc/73/45/95/1354734595.db2.gz FMXDUZKOWODUSO-PBHICJAKSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510723 1354734600 /nfs/dbraw/zinc/73/46/00/1354734600.db2.gz FMXDUZKOWODUSO-PBHICJAKSA-N 2 2 328.460 3.026 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC001071610950 1354795394 /nfs/dbraw/zinc/79/53/94/1354795394.db2.gz YHZHPLAJMRMNCH-YJBOKZPZSA-N 2 2 348.450 3.346 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC001071610950 1354795397 /nfs/dbraw/zinc/79/53/97/1354795397.db2.gz YHZHPLAJMRMNCH-YJBOKZPZSA-N 2 2 348.450 3.346 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458365 1356389835 /nfs/dbraw/zinc/38/98/35/1356389835.db2.gz DETJQFMLJQVCFT-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458365 1356389839 /nfs/dbraw/zinc/38/98/39/1356389839.db2.gz DETJQFMLJQVCFT-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183350591 1387302210 /nfs/dbraw/zinc/30/22/10/1387302210.db2.gz VDZPQOMXHUHOFK-MRXNPFEDSA-N 2 2 347.422 3.245 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001086121439 1359002486 /nfs/dbraw/zinc/00/24/86/1359002486.db2.gz SSSKIDGSZYQJCH-MAEOIBBWSA-N 2 2 348.450 3.170 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086950411 1359270850 /nfs/dbraw/zinc/27/08/50/1359270850.db2.gz ARHLKAZUGKEADJ-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954567 1359275294 /nfs/dbraw/zinc/27/52/94/1359275294.db2.gz OGRVHGHMIQKUHW-HZPDHXFCSA-N 2 2 346.519 3.010 20 0 EGADLP CC1(C)CC(C[NH2+][C@@H]2CCCCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001088356407 1359840392 /nfs/dbraw/zinc/84/03/92/1359840392.db2.gz ZDBNYWGZEZJQIG-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442763 1360432889 /nfs/dbraw/zinc/43/28/89/1360432889.db2.gz SZARBYBXBTVUKJ-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442763 1360432892 /nfs/dbraw/zinc/43/28/92/1360432892.db2.gz SZARBYBXBTVUKJ-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CC2CCCCC2)C1 ZINC001089530122 1360492648 /nfs/dbraw/zinc/49/26/48/1360492648.db2.gz ZSDGGZIUIXJVHM-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089530122 1360492649 /nfs/dbraw/zinc/49/26/49/1360492649.db2.gz ZSDGGZIUIXJVHM-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184532841 1387485894 /nfs/dbraw/zinc/48/58/94/1387485894.db2.gz BXVFYYDQBXUGHV-SLXDBMQSSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184532841 1387485896 /nfs/dbraw/zinc/48/58/96/1387485896.db2.gz BXVFYYDQBXUGHV-SLXDBMQSSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094079220 1361734546 /nfs/dbraw/zinc/73/45/46/1361734546.db2.gz WKYTVIBVODNOIM-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001097594084 1363063745 /nfs/dbraw/zinc/06/37/45/1363063745.db2.gz WAPKGWZORBCYFJ-QRVBRYPASA-N 2 2 338.455 3.008 20 0 EGADLP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001097594084 1363063750 /nfs/dbraw/zinc/06/37/50/1363063750.db2.gz WAPKGWZORBCYFJ-QRVBRYPASA-N 2 2 338.455 3.008 20 0 EGADLP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001098814210 1363479272 /nfs/dbraw/zinc/47/92/72/1363479272.db2.gz OIZGXYBNYXDKPO-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098814210 1363479274 /nfs/dbraw/zinc/47/92/74/1363479274.db2.gz OIZGXYBNYXDKPO-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001098814394 1363479405 /nfs/dbraw/zinc/47/94/05/1363479405.db2.gz PNBULOLITXXYHZ-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)[NH2+][C@H](C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098832534 1363486301 /nfs/dbraw/zinc/48/63/01/1363486301.db2.gz HPEUXFLYXKIWSI-IEBWSBKVSA-N 2 2 346.519 3.069 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148520 1363655731 /nfs/dbraw/zinc/65/57/31/1363655731.db2.gz FGSGOXKGEWVLMM-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148520 1363655733 /nfs/dbraw/zinc/65/57/33/1363655733.db2.gz FGSGOXKGEWVLMM-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001100541787 1364153147 /nfs/dbraw/zinc/15/31/47/1364153147.db2.gz ZNJOWZHLZGPXLJ-KLHKWILBSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H](CC(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001100716675 1364233217 /nfs/dbraw/zinc/23/32/17/1364233217.db2.gz LTJCDNXHKRSQEP-GTPINHCMSA-N 2 2 334.508 3.145 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001101559218 1364619120 /nfs/dbraw/zinc/61/91/20/1364619120.db2.gz YLIJIMAYENEFKV-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185492171 1387730727 /nfs/dbraw/zinc/73/07/27/1387730727.db2.gz LYTJLUMSIFSFFL-SGUAIBKKSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC001324743800 1387759238 /nfs/dbraw/zinc/75/92/38/1387759238.db2.gz JQTORXOXZOPOSH-UHFFFAOYSA-N 2 2 336.549 3.404 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677383 1365722810 /nfs/dbraw/zinc/72/28/10/1365722810.db2.gz ZWNWQMIMRZQDHA-WXYTYNPNSA-N 2 2 346.519 3.081 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677383 1365722811 /nfs/dbraw/zinc/72/28/11/1365722811.db2.gz ZWNWQMIMRZQDHA-WXYTYNPNSA-N 2 2 346.519 3.081 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001324762109 1387762939 /nfs/dbraw/zinc/76/29/39/1387762939.db2.gz GFHKEHABJDRRCD-FQEVSTJZSA-N 2 2 329.488 3.249 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774796 1365778262 /nfs/dbraw/zinc/77/82/62/1365778262.db2.gz RNWJJHZKUHMXSI-NYQZOWANSA-N 2 2 346.519 3.094 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774796 1365778264 /nfs/dbraw/zinc/77/82/64/1365778264.db2.gz RNWJJHZKUHMXSI-NYQZOWANSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352484 1365982871 /nfs/dbraw/zinc/98/28/71/1365982871.db2.gz ZBDMENFTZHNNBG-HZPDHXFCSA-N 2 2 340.471 3.217 20 0 EGADLP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775894 1366167143 /nfs/dbraw/zinc/16/71/43/1366167143.db2.gz QGEQSYOSZIXTNV-CPRFOPHYSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775894 1366167148 /nfs/dbraw/zinc/16/71/48/1366167148.db2.gz QGEQSYOSZIXTNV-CPRFOPHYSA-N 2 2 346.519 3.019 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566213 1366534218 /nfs/dbraw/zinc/53/42/18/1366534218.db2.gz GRIYWHDKHWNDIN-ZWKOTPCHSA-N 2 2 346.519 3.385 20 0 EGADLP CC[C@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566512 1366534876 /nfs/dbraw/zinc/53/48/76/1366534876.db2.gz OKKUDRFGJHOLLV-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621281 1367078758 /nfs/dbraw/zinc/07/87/58/1367078758.db2.gz MIEBQLQVEDQCIG-UYAOXDASSA-N 2 2 346.519 3.202 20 0 EGADLP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621281 1367078764 /nfs/dbraw/zinc/07/87/64/1367078764.db2.gz MIEBQLQVEDQCIG-UYAOXDASSA-N 2 2 346.519 3.202 20 0 EGADLP FC(F)CN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001190643014 1367314230 /nfs/dbraw/zinc/31/42/30/1367314230.db2.gz IBKLTMXLFHIQBB-UHFFFAOYSA-N 2 2 337.458 3.055 20 0 EGADLP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818571 1367359343 /nfs/dbraw/zinc/35/93/43/1367359343.db2.gz RJHJSWYUYJFORU-MSOLQXFVSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818571 1367359347 /nfs/dbraw/zinc/35/93/47/1367359347.db2.gz RJHJSWYUYJFORU-MSOLQXFVSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699674 1367938301 /nfs/dbraw/zinc/93/83/01/1367938301.db2.gz ZPTRQWAMXNCDTO-YRXWBPOGSA-N 2 2 344.503 3.158 20 0 EGADLP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699674 1367938310 /nfs/dbraw/zinc/93/83/10/1367938310.db2.gz ZPTRQWAMXNCDTO-YRXWBPOGSA-N 2 2 344.503 3.158 20 0 EGADLP C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001111885312 1368528476 /nfs/dbraw/zinc/52/84/76/1368528476.db2.gz KDNJREKVNCLANU-ZWOKBUDYSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001111885312 1368528480 /nfs/dbraw/zinc/52/84/80/1368528480.db2.gz KDNJREKVNCLANU-ZWOKBUDYSA-N 2 2 346.519 3.241 20 0 EGADLP O=C(CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)OCc1ccccc1 ZINC001197264436 1368774810 /nfs/dbraw/zinc/77/48/10/1368774810.db2.gz MNOBFYFZZMIKDP-HXUWFJFHSA-N 2 2 349.434 3.348 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001112991091 1369126067 /nfs/dbraw/zinc/12/60/67/1369126067.db2.gz DUDNOLPHVBVRIS-LJQANCHMSA-N 2 2 346.519 3.195 20 0 EGADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113572848 1369497742 /nfs/dbraw/zinc/49/77/42/1369497742.db2.gz QKBGZGXQIDFJGI-SFHVURJKSA-N 2 2 345.531 3.357 20 0 EGADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113572848 1369497744 /nfs/dbraw/zinc/49/77/44/1369497744.db2.gz QKBGZGXQIDFJGI-SFHVURJKSA-N 2 2 345.531 3.357 20 0 EGADLP C[NH+]1CCC(COc2c(F)cccc2Nc2ccc(N)[nH+]c2)CC1 ZINC001201295806 1369512831 /nfs/dbraw/zinc/51/28/31/1369512831.db2.gz SABQQNOQPXNBOQ-UHFFFAOYSA-N 2 2 330.407 3.267 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CCC(F)(F)F)CC2)c(C)[nH+]1 ZINC001201712573 1369610006 /nfs/dbraw/zinc/61/00/06/1369610006.db2.gz PZDFMTNUSXGZAS-UHFFFAOYSA-N 2 2 343.393 3.153 20 0 EGADLP C[C@H](CC(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001202693886 1369853888 /nfs/dbraw/zinc/85/38/88/1369853888.db2.gz FDKQBHKGYRSPES-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3F)C2)C1 ZINC001203348168 1370093142 /nfs/dbraw/zinc/09/31/42/1370093142.db2.gz LIPCWWHEUBKFJH-UYAOXDASSA-N 2 2 332.463 3.006 20 0 EGADLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3F)C2)C1 ZINC001203348168 1370093149 /nfs/dbraw/zinc/09/31/49/1370093149.db2.gz LIPCWWHEUBKFJH-UYAOXDASSA-N 2 2 332.463 3.006 20 0 EGADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC001203348168 1370093154 /nfs/dbraw/zinc/09/31/54/1370093154.db2.gz LIPCWWHEUBKFJH-UYAOXDASSA-N 2 2 332.463 3.006 20 0 EGADLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001203348168 1370093160 /nfs/dbraw/zinc/09/31/60/1370093160.db2.gz LIPCWWHEUBKFJH-UYAOXDASSA-N 2 2 332.463 3.006 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1OC ZINC001203454871 1370132756 /nfs/dbraw/zinc/13/27/56/1370132756.db2.gz CSSCPHXNRYOGMH-INIZCTEOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1OC ZINC001203454871 1370132758 /nfs/dbraw/zinc/13/27/58/1370132758.db2.gz CSSCPHXNRYOGMH-INIZCTEOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001203867726 1370294552 /nfs/dbraw/zinc/29/45/52/1370294552.db2.gz IUBLHSZAIVSDSE-HOTGVXAUSA-N 2 2 344.480 3.026 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001203923705 1370316246 /nfs/dbraw/zinc/31/62/46/1370316246.db2.gz DBYUNBRUSYBEHR-UHFFFAOYSA-N 2 2 341.499 3.485 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001203923705 1370316249 /nfs/dbraw/zinc/31/62/49/1370316249.db2.gz DBYUNBRUSYBEHR-UHFFFAOYSA-N 2 2 341.499 3.485 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC001204436771 1370477100 /nfs/dbraw/zinc/47/71/00/1370477100.db2.gz HVMXIZUREAIZHR-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP c1ccc2nc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001204500386 1370493413 /nfs/dbraw/zinc/49/34/13/1370493413.db2.gz SREMXKITJICUHM-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2nc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001204500386 1370493417 /nfs/dbraw/zinc/49/34/17/1370493417.db2.gz SREMXKITJICUHM-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2nc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001204500386 1370493419 /nfs/dbraw/zinc/49/34/19/1370493419.db2.gz SREMXKITJICUHM-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2nc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001204500386 1370493421 /nfs/dbraw/zinc/49/34/21/1370493421.db2.gz SREMXKITJICUHM-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP C[NH+](C)Cc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2F)cc1 ZINC001204660824 1370538708 /nfs/dbraw/zinc/53/87/08/1370538708.db2.gz MISULTUDIMUTDA-UHFFFAOYSA-N 2 2 328.431 3.387 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115566899 1370567497 /nfs/dbraw/zinc/56/74/97/1370567497.db2.gz DJTYOOHOCCZBIE-SNAWJCMRSA-N 2 2 346.519 3.497 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115566899 1370567503 /nfs/dbraw/zinc/56/75/03/1370567503.db2.gz DJTYOOHOCCZBIE-SNAWJCMRSA-N 2 2 346.519 3.497 20 0 EGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001204945602 1370612382 /nfs/dbraw/zinc/61/23/82/1370612382.db2.gz HOVYXLSFLNPWNA-MRXNPFEDSA-N 2 2 334.261 3.311 20 0 EGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001204945602 1370612384 /nfs/dbraw/zinc/61/23/84/1370612384.db2.gz HOVYXLSFLNPWNA-MRXNPFEDSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001204959045 1370615640 /nfs/dbraw/zinc/61/56/40/1370615640.db2.gz YSYHQVKMMNIILT-FQEVSTJZSA-N 2 2 338.451 3.243 20 0 EGADLP [NH3+]Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001204959045 1370615643 /nfs/dbraw/zinc/61/56/43/1370615643.db2.gz YSYHQVKMMNIILT-FQEVSTJZSA-N 2 2 338.451 3.243 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)C[C@H]1C[NH3+] ZINC001205140914 1370661752 /nfs/dbraw/zinc/66/17/52/1370661752.db2.gz RNSMZJZJVJZDQF-JOYOIKCWSA-N 2 2 325.790 3.193 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)C[C@H]1C[NH3+] ZINC001205140914 1370661756 /nfs/dbraw/zinc/66/17/56/1370661756.db2.gz RNSMZJZJVJZDQF-JOYOIKCWSA-N 2 2 325.790 3.193 20 0 EGADLP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001115725304 1370705275 /nfs/dbraw/zinc/70/52/75/1370705275.db2.gz UDGBNBQCGVWHKE-MRXNPFEDSA-N 2 2 344.503 3.038 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205289205 1370708291 /nfs/dbraw/zinc/70/82/91/1370708291.db2.gz UXJHXGGGANFNHS-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205289205 1370708301 /nfs/dbraw/zinc/70/83/01/1370708301.db2.gz UXJHXGGGANFNHS-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205315415 1370718743 /nfs/dbraw/zinc/71/87/43/1370718743.db2.gz GJCZXROMDYRHGV-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205315415 1370718746 /nfs/dbraw/zinc/71/87/46/1370718746.db2.gz GJCZXROMDYRHGV-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205317708 1370719840 /nfs/dbraw/zinc/71/98/40/1370719840.db2.gz PPIRIFAIKPIHGX-ZYHUDNBSSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205317708 1370719843 /nfs/dbraw/zinc/71/98/43/1370719843.db2.gz PPIRIFAIKPIHGX-ZYHUDNBSSA-N 2 2 329.257 3.313 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205318518 1370720201 /nfs/dbraw/zinc/72/02/01/1370720201.db2.gz VPULGRSIZDPWFG-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC001205318518 1370720204 /nfs/dbraw/zinc/72/02/04/1370720204.db2.gz VPULGRSIZDPWFG-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752419 1370733736 /nfs/dbraw/zinc/73/37/36/1370733736.db2.gz BJPSKCDKGTVIDE-DLBZAZTESA-N 2 2 334.508 3.289 20 0 EGADLP C[N@@H+](Cc1cccc2c3ccccc3sc21)C[C@H]1C[NH2+]CCO1 ZINC001205377589 1370735783 /nfs/dbraw/zinc/73/57/83/1370735783.db2.gz ZHLXXZVHLVHRJF-OAHLLOKOSA-N 2 2 326.465 3.475 20 0 EGADLP C[N@H+](Cc1cccc2c3ccccc3sc21)C[C@H]1C[NH2+]CCO1 ZINC001205377589 1370735788 /nfs/dbraw/zinc/73/57/88/1370735788.db2.gz ZHLXXZVHLVHRJF-OAHLLOKOSA-N 2 2 326.465 3.475 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651914 1370828399 /nfs/dbraw/zinc/82/83/99/1370828399.db2.gz LQWVJQMBTKWTAG-GOEBONIOSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[C@@H]1C[NH3+] ZINC001205651914 1370828403 /nfs/dbraw/zinc/82/84/03/1370828403.db2.gz LQWVJQMBTKWTAG-GOEBONIOSA-N 3 2 332.879 3.333 20 0 EGADLP CC/C=C/CC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679525 1370840534 /nfs/dbraw/zinc/84/05/34/1370840534.db2.gz LBOZGVPHNUTLDE-ONEGZZNKSA-N 2 2 340.471 3.132 20 0 EGADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001205688354 1370843463 /nfs/dbraw/zinc/84/34/63/1370843463.db2.gz GHMPZEREABYWAW-HXUWFJFHSA-N 2 2 344.430 3.294 20 0 EGADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001205688354 1370843468 /nfs/dbraw/zinc/84/34/68/1370843468.db2.gz GHMPZEREABYWAW-HXUWFJFHSA-N 2 2 344.430 3.294 20 0 EGADLP Cc1cc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC001205741312 1370856427 /nfs/dbraw/zinc/85/64/27/1370856427.db2.gz ZBHDLGWGLRCCCI-UHFFFAOYSA-N 2 2 341.499 3.146 20 0 EGADLP Cc1cc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC001205741312 1370856438 /nfs/dbraw/zinc/85/64/38/1370856438.db2.gz ZBHDLGWGLRCCCI-UHFFFAOYSA-N 2 2 341.499 3.146 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351118 1370891197 /nfs/dbraw/zinc/89/11/97/1370891197.db2.gz ZKZDWGNXFACWOT-QAPCUYQASA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351118 1370891201 /nfs/dbraw/zinc/89/12/01/1370891201.db2.gz ZKZDWGNXFACWOT-QAPCUYQASA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC001116429766 1370909792 /nfs/dbraw/zinc/90/97/92/1370909792.db2.gz UDMHPTASWIEZMN-HXUWFJFHSA-N 2 2 337.467 3.422 20 0 EGADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC001116429766 1370909797 /nfs/dbraw/zinc/90/97/97/1370909797.db2.gz UDMHPTASWIEZMN-HXUWFJFHSA-N 2 2 337.467 3.422 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1[NH3+] ZINC001206049012 1370948416 /nfs/dbraw/zinc/94/84/16/1370948416.db2.gz GBEKHXFTJOWBRU-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc3cc(Br)cnc32)C[C@H]1[NH3+] ZINC001206049012 1370948420 /nfs/dbraw/zinc/94/84/20/1370948420.db2.gz GBEKHXFTJOWBRU-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP Cn1nccc1C[NH+]1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC001206337623 1371026847 /nfs/dbraw/zinc/02/68/47/1371026847.db2.gz OBUPACKRCQADHA-UHFFFAOYSA-N 2 2 347.466 3.221 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206378989 1371038100 /nfs/dbraw/zinc/03/81/00/1371038100.db2.gz HUBQVKYHSQBCAE-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206378989 1371038106 /nfs/dbraw/zinc/03/81/06/1371038106.db2.gz HUBQVKYHSQBCAE-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2c(F)ccc(F)c2Br)CC1 ZINC001206500807 1371074458 /nfs/dbraw/zinc/07/44/58/1371074458.db2.gz RWTMHQJSOZBYKC-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(C(C)(C)[NH3+])c1 ZINC001206533075 1371085479 /nfs/dbraw/zinc/08/54/79/1371085479.db2.gz RMEMTZOXKQWYKZ-UHFFFAOYSA-N 2 2 340.467 3.388 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206533496 1371086397 /nfs/dbraw/zinc/08/63/97/1371086397.db2.gz LNVBSIOTQHVWRB-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206533496 1371086403 /nfs/dbraw/zinc/08/64/03/1371086403.db2.gz LNVBSIOTQHVWRB-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206564931 1371095649 /nfs/dbraw/zinc/09/56/49/1371095649.db2.gz RURHMYCOLHRFHY-OAHLLOKOSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206564931 1371095653 /nfs/dbraw/zinc/09/56/53/1371095653.db2.gz RURHMYCOLHRFHY-OAHLLOKOSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1F ZINC001206632844 1371114390 /nfs/dbraw/zinc/11/43/90/1371114390.db2.gz PANZFPLSHPLAJW-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1F ZINC001206632844 1371114391 /nfs/dbraw/zinc/11/43/91/1371114391.db2.gz PANZFPLSHPLAJW-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001206660722 1371124249 /nfs/dbraw/zinc/12/42/49/1371124249.db2.gz HATCCDPFZQPOMQ-CTNGQTDRSA-N 2 2 329.532 3.361 20 0 EGADLP F[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206674759 1371129268 /nfs/dbraw/zinc/12/92/68/1371129268.db2.gz WDBYAUMXKDJDCT-QGZVFWFLSA-N 2 2 342.405 3.088 20 0 EGADLP F[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206674759 1371129272 /nfs/dbraw/zinc/12/92/72/1371129272.db2.gz WDBYAUMXKDJDCT-QGZVFWFLSA-N 2 2 342.405 3.088 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001207282053 1371350868 /nfs/dbraw/zinc/35/08/68/1371350868.db2.gz DWRJPJVUPAVKFH-UHFFFAOYSA-N 2 2 333.303 3.376 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001207282053 1371350874 /nfs/dbraw/zinc/35/08/74/1371350874.db2.gz DWRJPJVUPAVKFH-UHFFFAOYSA-N 2 2 333.303 3.376 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CCCC[C@H]3CCCO)cc2)CC1 ZINC001119631758 1371379295 /nfs/dbraw/zinc/37/92/95/1371379295.db2.gz DEIKNQIYFNZKIU-PXNSSMCTSA-N 2 2 331.504 3.182 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430799 1371573679 /nfs/dbraw/zinc/57/36/79/1371573679.db2.gz NTLNSQNNYJAHDD-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120430799 1371573681 /nfs/dbraw/zinc/57/36/81/1371573681.db2.gz NTLNSQNNYJAHDD-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440898 1371579094 /nfs/dbraw/zinc/57/90/94/1371579094.db2.gz UVYRNDSMPFBAMY-ZWKOTPCHSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440898 1371579098 /nfs/dbraw/zinc/57/90/98/1371579098.db2.gz UVYRNDSMPFBAMY-ZWKOTPCHSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([NH2+]CCC(C)(C)C)C3)ccn12 ZINC001208048257 1371579369 /nfs/dbraw/zinc/57/93/69/1371579369.db2.gz FOTZBDKIKFLBST-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176265 1371620202 /nfs/dbraw/zinc/62/02/02/1371620202.db2.gz PZWCGMRAMXQXEH-MJUUVYJYSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176265 1371620206 /nfs/dbraw/zinc/62/02/06/1371620206.db2.gz PZWCGMRAMXQXEH-MJUUVYJYSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176265 1371620207 /nfs/dbraw/zinc/62/02/07/1371620207.db2.gz PZWCGMRAMXQXEH-MJUUVYJYSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176265 1371620209 /nfs/dbraw/zinc/62/02/09/1371620209.db2.gz PZWCGMRAMXQXEH-MJUUVYJYSA-N 2 2 342.531 3.166 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC001208615988 1371843356 /nfs/dbraw/zinc/84/33/56/1371843356.db2.gz JDOJXWJUAZPJCK-OAHLLOKOSA-N 2 2 341.421 3.169 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC001208615988 1371843364 /nfs/dbraw/zinc/84/33/64/1371843364.db2.gz JDOJXWJUAZPJCK-OAHLLOKOSA-N 2 2 341.421 3.169 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC1)O2 ZINC001208616610 1371843911 /nfs/dbraw/zinc/84/39/11/1371843911.db2.gz LWVKDNFWJGTYRN-KRWDZBQOSA-N 2 2 342.483 3.137 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC1)O2 ZINC001208616610 1371843914 /nfs/dbraw/zinc/84/39/14/1371843914.db2.gz LWVKDNFWJGTYRN-KRWDZBQOSA-N 2 2 342.483 3.137 20 0 EGADLP C[C@H](CC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)CC(C)(C)C ZINC001208660557 1371854389 /nfs/dbraw/zinc/85/43/89/1371854389.db2.gz RNENMZNGJYBZHW-QGZVFWFLSA-N 2 2 343.519 3.448 20 0 EGADLP C[C@H](CC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)CC(C)(C)C ZINC001208660557 1371854393 /nfs/dbraw/zinc/85/43/93/1371854393.db2.gz RNENMZNGJYBZHW-QGZVFWFLSA-N 2 2 343.519 3.448 20 0 EGADLP Cc1cc(N2CC[NH+](CCc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC001208740417 1371880532 /nfs/dbraw/zinc/88/05/32/1371880532.db2.gz AMAYKOWNFJCAJI-UHFFFAOYSA-N 2 2 330.863 3.112 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Br)C[C@@H]2C1 ZINC001208847927 1371916077 /nfs/dbraw/zinc/91/60/77/1371916077.db2.gz IHELZRUFSOZQLE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](CCCc3ccccc3Br)C[C@@H]2C1 ZINC001208847927 1371916080 /nfs/dbraw/zinc/91/60/80/1371916080.db2.gz IHELZRUFSOZQLE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](CCCc3ccccc3Br)C[C@@H]2C1 ZINC001208847927 1371916081 /nfs/dbraw/zinc/91/60/81/1371916081.db2.gz IHELZRUFSOZQLE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](CCCc3ccccc3Br)C[C@@H]2C1 ZINC001208847927 1371916083 /nfs/dbraw/zinc/91/60/83/1371916083.db2.gz IHELZRUFSOZQLE-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892606 1371935570 /nfs/dbraw/zinc/93/55/70/1371935570.db2.gz FGHGHCLMHCAAPB-CWRNSKLLSA-N 2 2 334.426 3.008 20 0 EGADLP C[C@@H](C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892606 1371935573 /nfs/dbraw/zinc/93/55/73/1371935573.db2.gz FGHGHCLMHCAAPB-CWRNSKLLSA-N 2 2 334.426 3.008 20 0 EGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892606 1371935577 /nfs/dbraw/zinc/93/55/77/1371935577.db2.gz FGHGHCLMHCAAPB-CWRNSKLLSA-N 2 2 334.426 3.008 20 0 EGADLP C[C@@H](C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1)C(F)(F)F ZINC001208892606 1371935578 /nfs/dbraw/zinc/93/55/78/1371935578.db2.gz FGHGHCLMHCAAPB-CWRNSKLLSA-N 2 2 334.426 3.008 20 0 EGADLP O=C1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946955 1371958233 /nfs/dbraw/zinc/95/82/33/1371958233.db2.gz JLVDTCSRTTXXDN-AQNXPRMDSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946955 1371958236 /nfs/dbraw/zinc/95/82/36/1371958236.db2.gz JLVDTCSRTTXXDN-AQNXPRMDSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946955 1371958239 /nfs/dbraw/zinc/95/82/39/1371958239.db2.gz JLVDTCSRTTXXDN-AQNXPRMDSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946955 1371958242 /nfs/dbraw/zinc/95/82/42/1371958242.db2.gz JLVDTCSRTTXXDN-AQNXPRMDSA-N 2 2 326.484 3.200 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985074 1371968671 /nfs/dbraw/zinc/96/86/71/1371968671.db2.gz MUOHVFFQIANPSG-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985074 1371968673 /nfs/dbraw/zinc/96/86/73/1371968673.db2.gz MUOHVFFQIANPSG-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP COCC[N@H+](CCc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001209121147 1372004975 /nfs/dbraw/zinc/00/49/75/1372004975.db2.gz PFIIIPKIOGJUBC-UHFFFAOYSA-N 2 2 344.421 3.291 20 0 EGADLP COCC[N@@H+](CCc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001209121147 1372004978 /nfs/dbraw/zinc/00/49/78/1372004978.db2.gz PFIIIPKIOGJUBC-UHFFFAOYSA-N 2 2 344.421 3.291 20 0 EGADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001209448027 1372107901 /nfs/dbraw/zinc/10/79/01/1372107901.db2.gz LDLXOSRYMIAFFO-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001209448027 1372107908 /nfs/dbraw/zinc/10/79/08/1372107908.db2.gz LDLXOSRYMIAFFO-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP COc1cc(C[N@H+](C)CCC[NH+]2CCCCC2)cc(OC)c1OC ZINC001209449904 1372109747 /nfs/dbraw/zinc/10/97/47/1372109747.db2.gz BYXZXEJKNMOXAI-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc(OC)c1OC ZINC001209449904 1372109750 /nfs/dbraw/zinc/10/97/50/1372109750.db2.gz BYXZXEJKNMOXAI-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209453029 1372110053 /nfs/dbraw/zinc/11/00/53/1372110053.db2.gz DDLFGAFNJXZTBF-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209453029 1372110056 /nfs/dbraw/zinc/11/00/56/1372110056.db2.gz DDLFGAFNJXZTBF-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP COc1cc(Nc2cc(F)ccc2N2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001210781595 1372425243 /nfs/dbraw/zinc/42/52/43/1372425243.db2.gz XCPVZDVGJWPIEA-UHFFFAOYSA-N 2 2 330.407 3.033 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001127299470 1373113237 /nfs/dbraw/zinc/11/32/37/1373113237.db2.gz RHVKLLFQGZXOFD-GOSISDBHSA-N 2 2 336.439 3.113 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001215705173 1373233943 /nfs/dbraw/zinc/23/39/43/1373233943.db2.gz GPAJZWBKSCJHDL-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001215742972 1373235277 /nfs/dbraw/zinc/23/52/77/1373235277.db2.gz OZXUJXAICACIRR-UHFFFAOYSA-N 2 2 340.471 3.407 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001130001225 1373444472 /nfs/dbraw/zinc/44/44/72/1373444472.db2.gz IASCUZSUCBNSEA-KRWDZBQOSA-N 2 2 348.878 3.030 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001130006291 1373445218 /nfs/dbraw/zinc/44/52/18/1373445218.db2.gz AZBCGFBAYGADMT-MJGOQNOKSA-N 2 2 342.487 3.246 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccccc2-c2nccs2)cc1 ZINC001219406777 1373707503 /nfs/dbraw/zinc/70/75/03/1373707503.db2.gz HPNCJRXNNOWKPA-OAHLLOKOSA-N 2 2 338.436 3.021 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC001219950163 1373741301 /nfs/dbraw/zinc/74/13/01/1373741301.db2.gz KSWQOXXDVUACFC-RRWXTXHCSA-N 2 2 337.467 3.101 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132024429 1375104657 /nfs/dbraw/zinc/10/46/57/1375104657.db2.gz FSZCNLXJRTUYPK-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132024429 1375104663 /nfs/dbraw/zinc/10/46/63/1375104663.db2.gz FSZCNLXJRTUYPK-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225646554 1375138532 /nfs/dbraw/zinc/13/85/32/1375138532.db2.gz DEAOBDCEKQNGNS-GOSISDBHSA-N 2 2 348.535 3.174 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCC1CC[NH+](CCC2CCCCCC2)CC1 ZINC001225675716 1375142160 /nfs/dbraw/zinc/14/21/60/1375142160.db2.gz CEHNNCGUTGPMCW-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226964920 1375373457 /nfs/dbraw/zinc/37/34/57/1375373457.db2.gz MUNUNMBRXBMELU-QRVBRYPASA-N 2 2 346.519 3.454 20 0 EGADLP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073770 1375384973 /nfs/dbraw/zinc/38/49/73/1375384973.db2.gz QJKIQELYEVMOOS-KBRIMQKVSA-N 2 2 328.460 3.240 20 0 EGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133001649 1375704141 /nfs/dbraw/zinc/70/41/41/1375704141.db2.gz DOSWZTOSPIOIPR-KSSFIOAISA-N 2 2 331.504 3.495 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229038445 1375748985 /nfs/dbraw/zinc/74/89/85/1375748985.db2.gz VJTKRQMBOKLTPD-AGOQIEHVSA-N 2 2 346.519 3.352 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229038445 1375748987 /nfs/dbraw/zinc/74/89/87/1375748987.db2.gz VJTKRQMBOKLTPD-AGOQIEHVSA-N 2 2 346.519 3.352 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229038471 1375749321 /nfs/dbraw/zinc/74/93/21/1375749321.db2.gz VZVXKWZTVUNLEW-KBAYOESNSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229038471 1375749325 /nfs/dbraw/zinc/74/93/25/1375749325.db2.gz VZVXKWZTVUNLEW-KBAYOESNSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001229558799 1375854445 /nfs/dbraw/zinc/85/44/45/1375854445.db2.gz HGUYPGGAMQAQQS-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001229558799 1375854449 /nfs/dbraw/zinc/85/44/49/1375854449.db2.gz HGUYPGGAMQAQQS-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363944 1375945691 /nfs/dbraw/zinc/94/56/91/1375945691.db2.gz QIPXMCSFHCHQNZ-HKUYNNGSSA-N 2 2 348.535 3.174 20 0 EGADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014080 1376382827 /nfs/dbraw/zinc/38/28/27/1376382827.db2.gz JPMWMVSBAPSNCV-MRXNPFEDSA-N 2 2 344.459 3.394 20 0 EGADLP CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014080 1376382831 /nfs/dbraw/zinc/38/28/31/1376382831.db2.gz JPMWMVSBAPSNCV-MRXNPFEDSA-N 2 2 344.459 3.394 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4nccc5ccccc54)C[C@@H]3C2)nc1 ZINC001232250487 1376425069 /nfs/dbraw/zinc/42/50/69/1376425069.db2.gz SRTAUXOMRBULNR-OALUTQOASA-N 2 2 344.462 3.194 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C)ccn12 ZINC001134369382 1376497898 /nfs/dbraw/zinc/49/78/98/1376497898.db2.gz KQHZRHURRQYNLG-CABCVRRESA-N 2 2 330.476 3.175 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CCc3[nH+]ccn3CC2)c(Cl)n1 ZINC001232794679 1376515850 /nfs/dbraw/zinc/51/58/50/1376515850.db2.gz SQXQXKGPVBKIKE-UHFFFAOYSA-N 2 2 330.741 3.009 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CCc3[nH+]ccn3CC2)c(Cl)n1 ZINC001232794679 1376515856 /nfs/dbraw/zinc/51/58/56/1376515856.db2.gz SQXQXKGPVBKIKE-UHFFFAOYSA-N 2 2 330.741 3.009 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729771 1376682057 /nfs/dbraw/zinc/68/20/57/1376682057.db2.gz MRHWTBUVHYTSSU-CVEARBPZSA-N 2 2 336.524 3.380 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068265 1376762282 /nfs/dbraw/zinc/76/22/82/1376762282.db2.gz ZQCKVNYGFSUOTF-CYBMUJFWSA-N 2 2 325.334 3.265 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC001234068265 1376762285 /nfs/dbraw/zinc/76/22/85/1376762285.db2.gz ZQCKVNYGFSUOTF-CYBMUJFWSA-N 2 2 325.334 3.265 20 0 EGADLP CCN(CC[NH+](CC)CC)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234068158 1376763101 /nfs/dbraw/zinc/76/31/01/1376763101.db2.gz YEVUNHPJJNSKPH-UHFFFAOYSA-N 2 2 330.476 3.045 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313801 1376804020 /nfs/dbraw/zinc/80/40/20/1376804020.db2.gz LASRIKOIIXPZGP-XFHJGTJQSA-N 2 2 340.471 3.145 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313801 1376804021 /nfs/dbraw/zinc/80/40/21/1376804021.db2.gz LASRIKOIIXPZGP-XFHJGTJQSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969617 1376818786 /nfs/dbraw/zinc/81/87/86/1376818786.db2.gz NEJPFFPGIWRXFV-HOTGVXAUSA-N 2 2 342.487 3.401 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001135044376 1376864931 /nfs/dbraw/zinc/86/49/31/1376864931.db2.gz TWXMMZIWCJVOAY-AAEUAGOBSA-N 2 2 345.409 3.446 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632109 1376879122 /nfs/dbraw/zinc/87/91/22/1376879122.db2.gz FISFIFDDCMMTEU-MSOLQXFVSA-N 2 2 334.508 3.193 20 0 EGADLP CCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632109 1376879125 /nfs/dbraw/zinc/87/91/25/1376879125.db2.gz FISFIFDDCMMTEU-MSOLQXFVSA-N 2 2 334.508 3.193 20 0 EGADLP CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097922 1376896267 /nfs/dbraw/zinc/89/62/67/1376896267.db2.gz RRAKHNRAZUUAJD-JKSUJKDBSA-N 2 2 328.460 3.159 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138330 1376928483 /nfs/dbraw/zinc/92/84/83/1376928483.db2.gz ZUNFTYVTTSQIQA-IAGOWNOFSA-N 2 2 334.508 3.117 20 0 EGADLP Fc1ccc(CN(Cc2cccn3cc[nH+]c23)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388081 1376951452 /nfs/dbraw/zinc/95/14/52/1376951452.db2.gz CAARLGYPCZKLIY-IBGZPJMESA-N 2 2 338.430 3.228 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1-c1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC001241251621 1377020002 /nfs/dbraw/zinc/02/00/02/1377020002.db2.gz XWBPPXBYLRZUEK-UHFFFAOYSA-N 3 2 338.499 3.294 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001245143546 1377043361 /nfs/dbraw/zinc/04/33/61/1377043361.db2.gz NJYXPKNDJYYFHQ-IBGZPJMESA-N 2 2 328.431 3.253 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001245143546 1377043365 /nfs/dbraw/zinc/04/33/65/1377043365.db2.gz NJYXPKNDJYYFHQ-IBGZPJMESA-N 2 2 328.431 3.253 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246938690 1377056324 /nfs/dbraw/zinc/05/63/24/1377056324.db2.gz SJHXXQDOZWFVPM-APWZRJJASA-N 2 2 349.494 3.027 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001246938690 1377056326 /nfs/dbraw/zinc/05/63/26/1377056326.db2.gz SJHXXQDOZWFVPM-APWZRJJASA-N 2 2 349.494 3.027 20 0 EGADLP CC(C)[C@@H](O)C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001253759513 1377100164 /nfs/dbraw/zinc/10/01/64/1377100164.db2.gz DYHRGKFXKYELGI-SFHVURJKSA-N 2 2 325.412 3.010 20 0 EGADLP CCCC(CCC)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001257337780 1377114149 /nfs/dbraw/zinc/11/41/49/1377114149.db2.gz NBYCQIROKYLEAX-LJQANCHMSA-N 2 2 326.525 3.016 20 0 EGADLP CCCC(CCC)[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001257337780 1377114150 /nfs/dbraw/zinc/11/41/50/1377114150.db2.gz NBYCQIROKYLEAX-LJQANCHMSA-N 2 2 326.525 3.016 20 0 EGADLP CCCC(CCC)[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001257337780 1377114151 /nfs/dbraw/zinc/11/41/51/1377114151.db2.gz NBYCQIROKYLEAX-LJQANCHMSA-N 2 2 326.525 3.016 20 0 EGADLP CCCC(CCC)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001257337780 1377114152 /nfs/dbraw/zinc/11/41/52/1377114152.db2.gz NBYCQIROKYLEAX-LJQANCHMSA-N 2 2 326.525 3.016 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552225 1377141986 /nfs/dbraw/zinc/14/19/86/1377141986.db2.gz CIQOSBGAMFXHFW-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840948 1377228995 /nfs/dbraw/zinc/22/89/95/1377228995.db2.gz RWIWYISTXFCGAL-CVEARBPZSA-N 2 2 328.460 3.159 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136051375 1377313385 /nfs/dbraw/zinc/31/33/85/1377313385.db2.gz ABJNLXNMFJLKGP-DLBZAZTESA-N 2 2 348.535 3.196 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C(F)F)nc1 ZINC001136819048 1377426937 /nfs/dbraw/zinc/42/69/37/1377426937.db2.gz SBCVYNIDPNBYSC-UHFFFAOYSA-N 2 2 329.310 3.161 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@H]3C2)c1 ZINC001137042721 1377465300 /nfs/dbraw/zinc/46/53/00/1377465300.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@H]3C2)c1 ZINC001137042721 1377465301 /nfs/dbraw/zinc/46/53/01/1377465301.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5[nH]cnc5c4)C[C@H]3C2)c1 ZINC001137042721 1377465302 /nfs/dbraw/zinc/46/53/02/1377465302.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5[nH]cnc5c4)C[C@H]3C2)c1 ZINC001137042721 1377465303 /nfs/dbraw/zinc/46/53/03/1377465303.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@H]3C2)c1 ZINC001137042721 1377465304 /nfs/dbraw/zinc/46/53/04/1377465304.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@H]3C2)c1 ZINC001137042721 1377465305 /nfs/dbraw/zinc/46/53/05/1377465305.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5nc[nH]c5c4)C[C@H]3C2)c1 ZINC001137042721 1377465306 /nfs/dbraw/zinc/46/53/06/1377465306.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5nc[nH]c5c4)C[C@H]3C2)c1 ZINC001137042721 1377465307 /nfs/dbraw/zinc/46/53/07/1377465307.db2.gz QQRVINWRBKNCDH-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)c1 ZINC001137173410 1377490611 /nfs/dbraw/zinc/49/06/11/1377490611.db2.gz UUGSXHZUODRGKW-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)c1 ZINC001137173409 1377490693 /nfs/dbraw/zinc/49/06/93/1377490693.db2.gz UUGSXHZUODRGKW-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)c1 ZINC001137173409 1377490694 /nfs/dbraw/zinc/49/06/94/1377490694.db2.gz UUGSXHZUODRGKW-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5cccnc54)C[C@@H]3C2)c1 ZINC001137173409 1377490695 /nfs/dbraw/zinc/49/06/95/1377490695.db2.gz UUGSXHZUODRGKW-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5cccnc54)C[C@@H]3C2)c1 ZINC001137173409 1377490696 /nfs/dbraw/zinc/49/06/96/1377490696.db2.gz UUGSXHZUODRGKW-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP Clc1ccncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137233411 1377501701 /nfs/dbraw/zinc/50/17/01/1377501701.db2.gz CTOFKYZJXMLCAX-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137233411 1377501702 /nfs/dbraw/zinc/50/17/02/1377501702.db2.gz CTOFKYZJXMLCAX-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001137233411 1377501704 /nfs/dbraw/zinc/50/17/04/1377501704.db2.gz CTOFKYZJXMLCAX-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccncc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001137233411 1377501706 /nfs/dbraw/zinc/50/17/06/1377501706.db2.gz CTOFKYZJXMLCAX-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Cc1cccc2nc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)cn21 ZINC001137303736 1377513504 /nfs/dbraw/zinc/51/35/04/1377513504.db2.gz QKEBLKHMQZPARL-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccc2nc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)cn21 ZINC001137303736 1377513506 /nfs/dbraw/zinc/51/35/06/1377513506.db2.gz QKEBLKHMQZPARL-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(C(C)(C)C)[nH]2)CC1 ZINC001137377540 1377535593 /nfs/dbraw/zinc/53/55/93/1377535593.db2.gz CEARAKGSXBARMZ-UHFFFAOYSA-N 2 2 334.552 3.162 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138111865 1377678942 /nfs/dbraw/zinc/67/89/42/1377678942.db2.gz UIJMUIPSKPNBLV-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC001138111865 1377678944 /nfs/dbraw/zinc/67/89/44/1377678944.db2.gz UIJMUIPSKPNBLV-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001138415641 1377720662 /nfs/dbraw/zinc/72/06/62/1377720662.db2.gz KDUPEVILMQYHLY-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP CN(CC[N@H+](C)Cc1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138564922 1377742933 /nfs/dbraw/zinc/74/29/33/1377742933.db2.gz JILLPUUFWWQCHR-UHFFFAOYSA-N 2 2 348.494 3.495 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccccc1)Cc1c[nH+]cn1Cc1ccccc1 ZINC001138564922 1377742934 /nfs/dbraw/zinc/74/29/34/1377742934.db2.gz JILLPUUFWWQCHR-UHFFFAOYSA-N 2 2 348.494 3.495 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCC)cc3OCC)C[C@H]2C1 ZINC001138983652 1377812826 /nfs/dbraw/zinc/81/28/26/1377812826.db2.gz BKRHOJYFZLKEFQ-QZTJIDSGSA-N 2 2 332.488 3.258 20 0 EGADLP CCCn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC001139038583 1377820775 /nfs/dbraw/zinc/82/07/75/1377820775.db2.gz FUJKLULXWHAOKW-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP CCCn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC001139038583 1377820776 /nfs/dbraw/zinc/82/07/76/1377820776.db2.gz FUJKLULXWHAOKW-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP CCCn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC001139038583 1377820778 /nfs/dbraw/zinc/82/07/78/1377820778.db2.gz FUJKLULXWHAOKW-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP CCCn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC001139038583 1377820781 /nfs/dbraw/zinc/82/07/81/1377820781.db2.gz FUJKLULXWHAOKW-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP COc1cc(O)ccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001139139922 1377837578 /nfs/dbraw/zinc/83/75/78/1377837578.db2.gz BZZHOUYCCZYZQH-HOTGVXAUSA-N 2 2 344.480 3.026 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001139204592 1377851266 /nfs/dbraw/zinc/85/12/66/1377851266.db2.gz IKZYKAJZNWPHLE-SFTDATJTSA-N 2 2 346.478 3.137 20 0 EGADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(F)cc1 ZINC001139323609 1377867712 /nfs/dbraw/zinc/86/77/12/1377867712.db2.gz OLLVGFXEDXROIF-UHFFFAOYSA-N 2 2 348.491 3.056 20 0 EGADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccc(F)cc1 ZINC001139323609 1377867715 /nfs/dbraw/zinc/86/77/15/1377867715.db2.gz OLLVGFXEDXROIF-UHFFFAOYSA-N 2 2 348.491 3.056 20 0 EGADLP Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139364320 1377874691 /nfs/dbraw/zinc/87/46/91/1377874691.db2.gz RMECRVLFLCISND-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139364320 1377874692 /nfs/dbraw/zinc/87/46/92/1377874692.db2.gz RMECRVLFLCISND-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC001139364544 1377874753 /nfs/dbraw/zinc/87/47/53/1377874753.db2.gz WDUIUDFLTFBVRT-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cnc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC001139364544 1377874754 /nfs/dbraw/zinc/87/47/54/1377874754.db2.gz WDUIUDFLTFBVRT-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP C[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001139759898 1377947322 /nfs/dbraw/zinc/94/73/22/1377947322.db2.gz HFLDMWNMCOLGRN-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP C[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC001139759898 1377947327 /nfs/dbraw/zinc/94/73/27/1377947327.db2.gz HFLDMWNMCOLGRN-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835597 1377959716 /nfs/dbraw/zinc/95/97/16/1377959716.db2.gz DZTQFVPHGLHTIH-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835597 1377959719 /nfs/dbraw/zinc/95/97/19/1377959719.db2.gz DZTQFVPHGLHTIH-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835597 1377959720 /nfs/dbraw/zinc/95/97/20/1377959720.db2.gz DZTQFVPHGLHTIH-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835597 1377959723 /nfs/dbraw/zinc/95/97/23/1377959723.db2.gz DZTQFVPHGLHTIH-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Cn1c(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc2ccccc21 ZINC001139867979 1377966783 /nfs/dbraw/zinc/96/67/83/1377966783.db2.gz XUQBSTOHKYBAID-WOJBJXKFSA-N 2 2 346.478 3.137 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140779649 1378134189 /nfs/dbraw/zinc/13/41/89/1378134189.db2.gz VDNZCEVHTJADDE-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140779649 1378134192 /nfs/dbraw/zinc/13/41/92/1378134192.db2.gz VDNZCEVHTJADDE-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001140807303 1378146879 /nfs/dbraw/zinc/14/68/79/1378146879.db2.gz UJGDWAUOVOZJRM-UWJYYQICSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001140807303 1378146882 /nfs/dbraw/zinc/14/68/82/1378146882.db2.gz UJGDWAUOVOZJRM-UWJYYQICSA-N 2 2 332.451 3.269 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975147 1378197323 /nfs/dbraw/zinc/19/73/23/1378197323.db2.gz ORDNSNYUXIGENR-UHFFFAOYSA-N 2 2 345.437 3.349 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1F)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140975147 1378197327 /nfs/dbraw/zinc/19/73/27/1378197327.db2.gz ORDNSNYUXIGENR-UHFFFAOYSA-N 2 2 345.437 3.349 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054680 1378224144 /nfs/dbraw/zinc/22/41/44/1378224144.db2.gz QWIMRYILZFQKKF-YTQUADARSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054680 1378224149 /nfs/dbraw/zinc/22/41/49/1378224149.db2.gz QWIMRYILZFQKKF-YTQUADARSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054680 1378224152 /nfs/dbraw/zinc/22/41/52/1378224152.db2.gz QWIMRYILZFQKKF-YTQUADARSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054680 1378224155 /nfs/dbraw/zinc/22/41/55/1378224155.db2.gz QWIMRYILZFQKKF-YTQUADARSA-N 2 2 340.471 3.111 20 0 EGADLP COc1ccc2nccc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2c1 ZINC001141146635 1378249960 /nfs/dbraw/zinc/24/99/60/1378249960.db2.gz BBYKPTXEEOOZEC-UHFFFAOYSA-N 2 2 325.456 3.304 20 0 EGADLP COC(=O)CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141241491 1378280455 /nfs/dbraw/zinc/28/04/55/1378280455.db2.gz JABUANJNDWDEPQ-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP COC(=O)CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141241491 1378280462 /nfs/dbraw/zinc/28/04/62/1378280462.db2.gz JABUANJNDWDEPQ-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3cccc(-n4ccnc4)c3)CC2)CC1 ZINC001141243089 1378281371 /nfs/dbraw/zinc/28/13/71/1378281371.db2.gz VHESOXQYSXEIDY-UHFFFAOYSA-N 2 2 342.462 3.271 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001142606633 1378463618 /nfs/dbraw/zinc/46/36/18/1378463618.db2.gz FKENYNPKRUJFPS-SFHVURJKSA-N 2 2 340.423 3.220 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001142606633 1378463620 /nfs/dbraw/zinc/46/36/20/1378463620.db2.gz FKENYNPKRUJFPS-SFHVURJKSA-N 2 2 340.423 3.220 20 0 EGADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001143014832 1378526117 /nfs/dbraw/zinc/52/61/17/1378526117.db2.gz AQGDVGYIVOBROP-LJQANCHMSA-N 2 2 334.423 3.135 20 0 EGADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001143014832 1378526121 /nfs/dbraw/zinc/52/61/21/1378526121.db2.gz AQGDVGYIVOBROP-LJQANCHMSA-N 2 2 334.423 3.135 20 0 EGADLP CCOc1c(F)cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001143739320 1378639494 /nfs/dbraw/zinc/63/94/94/1378639494.db2.gz QPDNZHNNFLCLQT-KGLIPLIRSA-N 2 2 326.843 3.261 20 0 EGADLP CCOc1c(F)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001143739320 1378639496 /nfs/dbraw/zinc/63/94/96/1378639496.db2.gz QPDNZHNNFLCLQT-KGLIPLIRSA-N 2 2 326.843 3.261 20 0 EGADLP CCOc1c(F)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Cl ZINC001143739320 1378639498 /nfs/dbraw/zinc/63/94/98/1378639498.db2.gz QPDNZHNNFLCLQT-KGLIPLIRSA-N 2 2 326.843 3.261 20 0 EGADLP CCOc1c(F)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Cl ZINC001143739320 1378639501 /nfs/dbraw/zinc/63/95/01/1378639501.db2.gz QPDNZHNNFLCLQT-KGLIPLIRSA-N 2 2 326.843 3.261 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144195078 1378695580 /nfs/dbraw/zinc/69/55/80/1378695580.db2.gz LYMHDEUZOGTGNK-UHFFFAOYSA-N 2 2 339.418 3.144 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2n[nH]c3ccc(F)cc32)CC1 ZINC001144195078 1378695582 /nfs/dbraw/zinc/69/55/82/1378695582.db2.gz LYMHDEUZOGTGNK-UHFFFAOYSA-N 2 2 339.418 3.144 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433716 1378731532 /nfs/dbraw/zinc/73/15/32/1378731532.db2.gz PCKRUVWAQLLTEG-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433716 1378731536 /nfs/dbraw/zinc/73/15/36/1378731536.db2.gz PCKRUVWAQLLTEG-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433716 1378731540 /nfs/dbraw/zinc/73/15/40/1378731540.db2.gz PCKRUVWAQLLTEG-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC001144433716 1378731544 /nfs/dbraw/zinc/73/15/44/1378731544.db2.gz PCKRUVWAQLLTEG-RBUKOAKNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433714 1378731564 /nfs/dbraw/zinc/73/15/64/1378731564.db2.gz PCKRUVWAQLLTEG-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433714 1378731568 /nfs/dbraw/zinc/73/15/68/1378731568.db2.gz PCKRUVWAQLLTEG-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433714 1378731573 /nfs/dbraw/zinc/73/15/73/1378731573.db2.gz PCKRUVWAQLLTEG-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC001144433714 1378731574 /nfs/dbraw/zinc/73/15/74/1378731574.db2.gz PCKRUVWAQLLTEG-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CC1=CCCCC1 ZINC001146707737 1378904377 /nfs/dbraw/zinc/90/43/77/1378904377.db2.gz ZHRSGAWRVCOFQC-SJORKVTESA-N 2 2 332.492 3.037 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001283623971 1379061545 /nfs/dbraw/zinc/06/15/45/1379061545.db2.gz XUTJVWZXGIXOPT-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001283623971 1379061551 /nfs/dbraw/zinc/06/15/51/1379061551.db2.gz XUTJVWZXGIXOPT-INIZCTEOSA-N 2 2 342.487 3.102 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115038 1380024164 /nfs/dbraw/zinc/02/41/64/1380024164.db2.gz KKWTVFQSKDHVDY-MRXNPFEDSA-N 2 2 332.492 3.059 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115038 1380024168 /nfs/dbraw/zinc/02/41/68/1380024168.db2.gz KKWTVFQSKDHVDY-MRXNPFEDSA-N 2 2 332.492 3.059 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083392 1380201465 /nfs/dbraw/zinc/20/14/65/1380201465.db2.gz UUESLOVIVIMTAL-WBVHZDCISA-N 2 2 348.535 3.230 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083392 1380201471 /nfs/dbraw/zinc/20/14/71/1380201471.db2.gz UUESLOVIVIMTAL-WBVHZDCISA-N 2 2 348.535 3.230 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083392 1380201474 /nfs/dbraw/zinc/20/14/74/1380201474.db2.gz UUESLOVIVIMTAL-WBVHZDCISA-N 2 2 348.535 3.230 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083392 1380201476 /nfs/dbraw/zinc/20/14/76/1380201476.db2.gz UUESLOVIVIMTAL-WBVHZDCISA-N 2 2 348.535 3.230 20 0 EGADLP CC[N@H+](CCOC1CCC1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403446 1380270682 /nfs/dbraw/zinc/27/06/82/1380270682.db2.gz FVOHIXDJLMAFNU-MRXNPFEDSA-N 2 2 347.503 3.016 20 0 EGADLP CC[N@@H+](CCOC1CCC1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403446 1380270684 /nfs/dbraw/zinc/27/06/84/1380270684.db2.gz FVOHIXDJLMAFNU-MRXNPFEDSA-N 2 2 347.503 3.016 20 0 EGADLP COc1cc2[nH+]c(C)nc(NC[C@H]3CCC[NH2+]C[C@H]3C)c2cc1OC ZINC001155026451 1380393971 /nfs/dbraw/zinc/39/39/71/1380393971.db2.gz TZQWFKPRLZPIOI-TZMCWYRMSA-N 2 2 344.459 3.003 20 0 EGADLP Cc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc(C2CCCCC2)[nH+]1 ZINC001155626657 1380475334 /nfs/dbraw/zinc/47/53/34/1380475334.db2.gz VYJVKGIGWSXFQQ-LPHOPBHVSA-N 2 2 330.476 3.156 20 0 EGADLP Cc1ccc(Cl)c(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1F ZINC001155833340 1380496617 /nfs/dbraw/zinc/49/66/17/1380496617.db2.gz URCHOXQAZSLWKE-UHFFFAOYSA-N 2 2 334.826 3.204 20 0 EGADLP Cc1nc(NCc2cccnc2C2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC001155995103 1380511538 /nfs/dbraw/zinc/51/15/38/1380511538.db2.gz SCIAGTUUKHHZSD-UHFFFAOYSA-N 2 2 325.460 3.383 20 0 EGADLP Cc1cccc2c(Cl)nnc(NCC3([NH+](C)C)CC[NH+](C)CC3)c12 ZINC001156181510 1380537665 /nfs/dbraw/zinc/53/76/65/1380537665.db2.gz FCVMDPPBQFIXHH-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP C[NH+](C)C1(CNc2nccc3ccc(Cl)cc32)CC[NH+](C)CC1 ZINC001156182342 1380537864 /nfs/dbraw/zinc/53/78/64/1380537864.db2.gz QKBXJJAJBIQCOS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC001156377590 1380567893 /nfs/dbraw/zinc/56/78/93/1380567893.db2.gz BOCSVABUIOPDMZ-AWEZNQCLSA-N 2 2 327.428 3.165 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC001156377590 1380567895 /nfs/dbraw/zinc/56/78/95/1380567895.db2.gz BOCSVABUIOPDMZ-AWEZNQCLSA-N 2 2 327.428 3.165 20 0 EGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001156787897 1380636490 /nfs/dbraw/zinc/63/64/90/1380636490.db2.gz FDWQXRGTJPSGIZ-UHFFFAOYSA-N 2 2 347.466 3.498 20 0 EGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001156787897 1380636492 /nfs/dbraw/zinc/63/64/92/1380636492.db2.gz FDWQXRGTJPSGIZ-UHFFFAOYSA-N 2 2 347.466 3.498 20 0 EGADLP CCN(Cc1cccc(F)c1F)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157365859 1380854652 /nfs/dbraw/zinc/85/46/52/1380854652.db2.gz AAXMHWWHPHUMRF-UHFFFAOYSA-N 2 2 346.425 3.138 20 0 EGADLP CCC[N@H+]1C[C@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)C[C@H]2C1 ZINC001157691167 1381003949 /nfs/dbraw/zinc/00/39/49/1381003949.db2.gz HVRVXCAQXAHAMJ-IYBDPMFKSA-N 2 2 325.456 3.330 20 0 EGADLP CCC[N@@H+]1C[C@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)C[C@H]2C1 ZINC001157691167 1381003950 /nfs/dbraw/zinc/00/39/50/1381003950.db2.gz HVRVXCAQXAHAMJ-IYBDPMFKSA-N 2 2 325.456 3.330 20 0 EGADLP CCC[NH+]1C[C@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)C[C@@H]2C1 ZINC001157699789 1381007411 /nfs/dbraw/zinc/00/74/11/1381007411.db2.gz MRQOAAAVHFNNIE-GJZGRUSLSA-N 2 2 341.455 3.030 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296543 1381188998 /nfs/dbraw/zinc/18/89/98/1381188998.db2.gz NTJMQFIRTAWHLT-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296543 1381189000 /nfs/dbraw/zinc/18/90/00/1381189000.db2.gz NTJMQFIRTAWHLT-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1cc(N([C@@H](F)c2ccnc(Cl)c2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001158391301 1381229409 /nfs/dbraw/zinc/22/94/09/1381229409.db2.gz AHOCYUPOUGWNFR-QGZVFWFLSA-N 2 2 349.841 3.369 20 0 EGADLP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534378 1381284767 /nfs/dbraw/zinc/28/47/67/1381284767.db2.gz WHCNYEHKTHCAFW-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534378 1381284769 /nfs/dbraw/zinc/28/47/69/1381284769.db2.gz WHCNYEHKTHCAFW-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158571315 1381304947 /nfs/dbraw/zinc/30/49/47/1381304947.db2.gz CHAQSWCKXGYALG-SJLPKXTDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158571315 1381304951 /nfs/dbraw/zinc/30/49/51/1381304951.db2.gz CHAQSWCKXGYALG-SJLPKXTDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158571315 1381304957 /nfs/dbraw/zinc/30/49/57/1381304957.db2.gz CHAQSWCKXGYALG-SJLPKXTDSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158571315 1381304964 /nfs/dbraw/zinc/30/49/64/1381304964.db2.gz CHAQSWCKXGYALG-SJLPKXTDSA-N 2 2 348.535 3.337 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794941 1381402656 /nfs/dbraw/zinc/40/26/56/1381402656.db2.gz WESRQZTYVUSSJX-HPFMTEOYSA-N 2 2 346.519 3.320 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794941 1381402660 /nfs/dbraw/zinc/40/26/60/1381402660.db2.gz WESRQZTYVUSSJX-HPFMTEOYSA-N 2 2 346.519 3.320 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158794330 1381403112 /nfs/dbraw/zinc/40/31/12/1381403112.db2.gz OEGJZHXMGIVQLC-QGZVFWFLSA-N 2 2 348.535 3.400 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158794330 1381403115 /nfs/dbraw/zinc/40/31/15/1381403115.db2.gz OEGJZHXMGIVQLC-QGZVFWFLSA-N 2 2 348.535 3.400 20 0 EGADLP CCOc1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c(C)c1 ZINC001159262153 1381746744 /nfs/dbraw/zinc/74/67/44/1381746744.db2.gz RMFBINHNQJSFRQ-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP CN(Cc1ccccc1)c1ccc(Nc2cnn([C@@H]3CC[NH2+]C3)c2)c[nH+]1 ZINC001159317279 1381760516 /nfs/dbraw/zinc/76/05/16/1381760516.db2.gz JGFGJVZGIVRVRK-LJQANCHMSA-N 2 2 348.454 3.193 20 0 EGADLP c1cn(-c2cccc(Nc3cccc(CN4CC[NH2+]CC4)c3)c2)c[nH+]1 ZINC001159461370 1381799833 /nfs/dbraw/zinc/79/98/33/1381799833.db2.gz RTYHPZHYTAKBDT-UHFFFAOYSA-N 2 2 333.439 3.021 20 0 EGADLP COc1cc(N(CC2CC[NH2+]CC2)c2ccc(F)cc2N)cc(C)[nH+]1 ZINC001160098664 1381996201 /nfs/dbraw/zinc/99/62/01/1381996201.db2.gz KAIWGZUKQMAMFW-UHFFFAOYSA-N 2 2 344.434 3.258 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC001160503218 1382125247 /nfs/dbraw/zinc/12/52/47/1382125247.db2.gz DTOVGWSBGQYCAA-PXNSSMCTSA-N 2 2 348.450 3.104 20 0 EGADLP Cc1cc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)s1 ZINC001160990063 1382263711 /nfs/dbraw/zinc/26/37/11/1382263711.db2.gz CIIIUUNPXUXODP-UHFFFAOYSA-N 2 2 342.468 3.151 20 0 EGADLP COc1ccc(C)[nH+]c1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162197977 1382655112 /nfs/dbraw/zinc/65/51/12/1382655112.db2.gz YQOJNBJBXABUMO-QAQDUYKDSA-N 2 2 326.444 3.070 20 0 EGADLP COc1ccccc1-n1c[nH+]c2cc(NC[C@H]3C[NH2+][C@H](C)C3)ccc21 ZINC001162561979 1382789965 /nfs/dbraw/zinc/78/99/65/1382789965.db2.gz AMWGAFOUDMKXRD-HUUCEWRRSA-N 2 2 336.439 3.444 20 0 EGADLP C[NH+]1CCC(C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)CC1 ZINC001165068082 1383220833 /nfs/dbraw/zinc/22/08/33/1383220833.db2.gz WGENNSODNJRORR-UHFFFAOYSA-N 2 2 343.519 3.025 20 0 EGADLP C[NH+]1CCC(C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)CC1 ZINC001165068082 1383220839 /nfs/dbraw/zinc/22/08/39/1383220839.db2.gz WGENNSODNJRORR-UHFFFAOYSA-N 2 2 343.519 3.025 20 0 EGADLP Cc1[nH+]c2c(n1-c1ncnc3cc(Cl)c(Cl)cc31)CC[NH2+]CC2 ZINC001165354881 1383280881 /nfs/dbraw/zinc/28/08/81/1383280881.db2.gz LBIWCHGHCTXUGB-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001167429047 1383631889 /nfs/dbraw/zinc/63/18/89/1383631889.db2.gz PPUMLDIDITYKTO-MSOLQXFVSA-N 2 2 342.487 3.308 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429747 1383632181 /nfs/dbraw/zinc/63/21/81/1383632181.db2.gz WWCCEOXTFZKIDB-QGZVFWFLSA-N 2 2 342.487 3.254 20 0 EGADLP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001301660864 1383725448 /nfs/dbraw/zinc/72/54/48/1383725448.db2.gz HLGAFBJXZCHZKR-ROUUACIJSA-N 2 2 349.906 3.077 20 0 EGADLP CCOCc1cnc2n1CC[N@H+]([C@H](C)CCC[NH+](CC)CC)[C@H]2C ZINC001167826011 1383750329 /nfs/dbraw/zinc/75/03/29/1383750329.db2.gz VJIAOVGBFBXGJR-SJORKVTESA-N 2 2 336.524 3.307 20 0 EGADLP CCOCc1cnc2n1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)[C@H]2C ZINC001167826011 1383750332 /nfs/dbraw/zinc/75/03/32/1383750332.db2.gz VJIAOVGBFBXGJR-SJORKVTESA-N 2 2 336.524 3.307 20 0 EGADLP C[C@H]1CC([NH2+]C[C@H]2CCC[N@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013571 1383797121 /nfs/dbraw/zinc/79/71/21/1383797121.db2.gz IBRWFXNIONSBMX-CMKODMSKSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@H]1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168013571 1383797122 /nfs/dbraw/zinc/79/71/22/1383797122.db2.gz IBRWFXNIONSBMX-CMKODMSKSA-N 3 2 329.532 3.359 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066584 1383809540 /nfs/dbraw/zinc/80/95/40/1383809540.db2.gz QERUWKBJZZFEPW-JYAXBFRTSA-N 3 2 341.543 3.312 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066584 1383809543 /nfs/dbraw/zinc/80/95/43/1383809543.db2.gz QERUWKBJZZFEPW-JYAXBFRTSA-N 3 2 341.543 3.312 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066584 1383809545 /nfs/dbraw/zinc/80/95/45/1383809545.db2.gz QERUWKBJZZFEPW-JYAXBFRTSA-N 3 2 341.543 3.312 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066584 1383809549 /nfs/dbraw/zinc/80/95/49/1383809549.db2.gz QERUWKBJZZFEPW-JYAXBFRTSA-N 3 2 341.543 3.312 20 0 EGADLP C[NH+](C)C1CCC([N@@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001168329964 1383875064 /nfs/dbraw/zinc/87/50/64/1383875064.db2.gz LOGBWKRTZHCBMZ-OFLPRAFFSA-N 2 2 329.479 3.055 20 0 EGADLP C[NH+](C)C1CCC([N@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001168329964 1383875066 /nfs/dbraw/zinc/87/50/66/1383875066.db2.gz LOGBWKRTZHCBMZ-OFLPRAFFSA-N 2 2 329.479 3.055 20 0 EGADLP C[NH+](C)C1CCC(N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001168329964 1383875072 /nfs/dbraw/zinc/87/50/72/1383875072.db2.gz LOGBWKRTZHCBMZ-OFLPRAFFSA-N 2 2 329.479 3.055 20 0 EGADLP [NH3+]C1(Cc2ccccc2F)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168365070 1383884700 /nfs/dbraw/zinc/88/47/00/1383884700.db2.gz KPLFWNJQEFPOTC-UHFFFAOYSA-N 3 2 345.506 3.036 20 0 EGADLP Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001168406848 1383897829 /nfs/dbraw/zinc/89/78/29/1383897829.db2.gz KBOLCVMKEVPJFA-LJQANCHMSA-N 2 2 325.431 3.337 20 0 EGADLP CC(C)c1cc(N2C[C@H](CC[NH3+])c3ccccc32)nc(N(C)C)[nH+]1 ZINC001168543078 1383933494 /nfs/dbraw/zinc/93/34/94/1383933494.db2.gz GIJIJRQHGHOUKO-AWEZNQCLSA-N 2 2 325.460 3.250 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+]CC[NH+]3CCC(C)CC3)CCO2)cc1 ZINC001168573889 1383939922 /nfs/dbraw/zinc/93/99/22/1383939922.db2.gz ACUSCOJBJUNUSZ-QUCCMNQESA-N 2 2 332.488 3.237 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608843 1383947560 /nfs/dbraw/zinc/94/75/60/1383947560.db2.gz FIRYVEDGKDTNMS-ABSDTBQOSA-N 2 2 330.472 3.132 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608843 1383947565 /nfs/dbraw/zinc/94/75/65/1383947565.db2.gz FIRYVEDGKDTNMS-ABSDTBQOSA-N 2 2 330.472 3.132 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168673072 1383965915 /nfs/dbraw/zinc/96/59/15/1383965915.db2.gz PZUJXNIBUINTJX-MJGOQNOKSA-N 2 2 329.444 3.134 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168673072 1383965921 /nfs/dbraw/zinc/96/59/21/1383965921.db2.gz PZUJXNIBUINTJX-MJGOQNOKSA-N 2 2 329.444 3.134 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734503 1383985272 /nfs/dbraw/zinc/98/52/72/1383985272.db2.gz IEQFNLMMDURQRO-QZTJIDSGSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734503 1383985275 /nfs/dbraw/zinc/98/52/75/1383985275.db2.gz IEQFNLMMDURQRO-QZTJIDSGSA-N 2 2 348.918 3.382 20 0 EGADLP COC(=O)C1(C)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001168755162 1383992581 /nfs/dbraw/zinc/99/25/81/1383992581.db2.gz NHGRDAJQBPYSBJ-UHFFFAOYSA-N 2 2 327.428 3.084 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168820183 1384018647 /nfs/dbraw/zinc/01/86/47/1384018647.db2.gz YCFUMBYTHYEXID-BBWFWOEESA-N 2 2 339.524 3.094 20 0 EGADLP CCCCOc1ccc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2c1 ZINC001169074462 1384103534 /nfs/dbraw/zinc/10/35/34/1384103534.db2.gz PJVRFKAROMQHID-QGZVFWFLSA-N 2 2 339.439 3.067 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC001308176874 1384105788 /nfs/dbraw/zinc/10/57/88/1384105788.db2.gz OYMSAHVZXQUPBL-KRWDZBQOSA-N 2 2 330.447 3.425 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(F)c3ccccc23)C1 ZINC001308176874 1384105790 /nfs/dbraw/zinc/10/57/90/1384105790.db2.gz OYMSAHVZXQUPBL-KRWDZBQOSA-N 2 2 330.447 3.425 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102301 1384107581 /nfs/dbraw/zinc/10/75/81/1384107581.db2.gz ZEGFOUMYSKRXFV-DILOTOHQSA-N 2 2 337.467 3.382 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102301 1384107587 /nfs/dbraw/zinc/10/75/87/1384107587.db2.gz ZEGFOUMYSKRXFV-DILOTOHQSA-N 2 2 337.467 3.382 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1OC(C)C ZINC001308193683 1384107906 /nfs/dbraw/zinc/10/79/06/1384107906.db2.gz NTGIWJDZMVROHG-UHFFFAOYSA-N 2 2 329.444 3.233 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccccc1Cl)C2 ZINC001169120158 1384109489 /nfs/dbraw/zinc/10/94/89/1384109489.db2.gz YRDUJEOJAXRULS-OSYLJGHBSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1ccccc1Cl)C2 ZINC001169120158 1384109491 /nfs/dbraw/zinc/10/94/91/1384109491.db2.gz YRDUJEOJAXRULS-OSYLJGHBSA-N 2 2 344.890 3.300 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001169143024 1384113367 /nfs/dbraw/zinc/11/33/67/1384113367.db2.gz JAVYXUGVVIIMFJ-NQIIRXRSSA-N 3 2 344.547 3.394 20 0 EGADLP CC(C)c1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC001308365935 1384122663 /nfs/dbraw/zinc/12/26/63/1384122663.db2.gz IWYLSPHUXFXBRZ-KRWDZBQOSA-N 2 2 345.512 3.123 20 0 EGADLP CC(C)c1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC001308365935 1384122664 /nfs/dbraw/zinc/12/26/64/1384122664.db2.gz IWYLSPHUXFXBRZ-KRWDZBQOSA-N 2 2 345.512 3.123 20 0 EGADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169272942 1384130691 /nfs/dbraw/zinc/13/06/91/1384130691.db2.gz AWMDLHWFCYTLAT-IPJUCJBFSA-N 2 2 330.472 3.229 20 0 EGADLP CC[C@@H]1CCC[C@@H](C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001308917654 1384159001 /nfs/dbraw/zinc/15/90/01/1384159001.db2.gz CYQFRHSVFZHGFE-QZTJIDSGSA-N 2 2 335.536 3.009 20 0 EGADLP C(C1CC1)[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945894 1384201994 /nfs/dbraw/zinc/20/19/94/1384201994.db2.gz QMMRSCNYURNEBJ-GOSISDBHSA-N 2 2 334.504 3.013 20 0 EGADLP C(C1CC1)[N@H+]1CCCC12CC[NH+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945894 1384201996 /nfs/dbraw/zinc/20/19/96/1384201996.db2.gz QMMRSCNYURNEBJ-GOSISDBHSA-N 2 2 334.504 3.013 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC001170170642 1384254183 /nfs/dbraw/zinc/25/41/83/1384254183.db2.gz MTOQMXHOZFFWHW-RBUKOAKNSA-N 2 2 332.488 3.207 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001170448777 1384321288 /nfs/dbraw/zinc/32/12/88/1384321288.db2.gz BWORLZHWNFWRNT-INIZCTEOSA-N 2 2 327.428 3.270 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711021 1384371831 /nfs/dbraw/zinc/37/18/31/1384371831.db2.gz MSSWVOKZFMLNIS-JOCHJYFZSA-N 2 2 338.495 3.413 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711021 1384371835 /nfs/dbraw/zinc/37/18/35/1384371835.db2.gz MSSWVOKZFMLNIS-JOCHJYFZSA-N 2 2 338.495 3.413 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711021 1384371837 /nfs/dbraw/zinc/37/18/37/1384371837.db2.gz MSSWVOKZFMLNIS-JOCHJYFZSA-N 2 2 338.495 3.413 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170711021 1384371840 /nfs/dbraw/zinc/37/18/40/1384371840.db2.gz MSSWVOKZFMLNIS-JOCHJYFZSA-N 2 2 338.495 3.413 20 0 EGADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170851870 1384398073 /nfs/dbraw/zinc/39/80/73/1384398073.db2.gz UTAFSYUDRGTIQY-CXAGYDPISA-N 2 2 337.305 3.380 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170895224 1384406884 /nfs/dbraw/zinc/40/68/84/1384406884.db2.gz PRKNVHKMNWJDFA-QGZVFWFLSA-N 2 2 348.535 3.073 20 0 EGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)CC2 ZINC001170910945 1384409549 /nfs/dbraw/zinc/40/95/49/1384409549.db2.gz RKKNYPUMKSPGJU-HOTGVXAUSA-N 2 2 334.891 3.040 20 0 EGADLP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)CC2 ZINC001170910945 1384409550 /nfs/dbraw/zinc/40/95/50/1384409550.db2.gz RKKNYPUMKSPGJU-HOTGVXAUSA-N 2 2 334.891 3.040 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H](n1c(C)[nH+]c3c1CC[NH2+]CC3)CC2 ZINC001171310603 1384491907 /nfs/dbraw/zinc/49/19/07/1384491907.db2.gz KIALUOZVSZSFAY-CYBMUJFWSA-N 2 2 345.874 3.272 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001171410665 1384515473 /nfs/dbraw/zinc/51/54/73/1384515473.db2.gz XHXRQDFWJMNGCM-AEFFLSMTSA-N 2 2 334.508 3.145 20 0 EGADLP Fc1cc2c(cc1F)C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001171495171 1384541514 /nfs/dbraw/zinc/54/15/14/1384541514.db2.gz HQNJOPUXGCVUSA-QGZVFWFLSA-N 2 2 343.421 3.476 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525882 1384551063 /nfs/dbraw/zinc/55/10/63/1384551063.db2.gz FJJFDDTTXYIDHD-HWOWSKLDSA-N 2 2 342.487 3.487 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576834 1384569227 /nfs/dbraw/zinc/56/92/27/1384569227.db2.gz KGRHPUZNBFUTEU-FUHWJXTLSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784215 1384634962 /nfs/dbraw/zinc/63/49/62/1384634962.db2.gz KPUWZUORRSXUPE-INIZCTEOSA-N 2 2 348.466 3.352 20 0 EGADLP CC(C)[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942001 1384690012 /nfs/dbraw/zinc/69/00/12/1384690012.db2.gz GCIMVKHXBGQZPT-INIZCTEOSA-N 2 2 328.460 3.159 20 0 EGADLP Cc1[nH+]cn([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970071 1384698462 /nfs/dbraw/zinc/69/84/62/1384698462.db2.gz YCIWPNDNHHEJEZ-SFHVURJKSA-N 3 2 326.488 3.308 20 0 EGADLP Cc1[nH+]cn([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970071 1384698466 /nfs/dbraw/zinc/69/84/66/1384698466.db2.gz YCIWPNDNHHEJEZ-SFHVURJKSA-N 3 2 326.488 3.308 20 0 EGADLP CC1(C)C[C@H](n2cc[nH+]c2CCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC001171977501 1384702432 /nfs/dbraw/zinc/70/24/32/1384702432.db2.gz RTIONNPANZZADB-GOSISDBHSA-N 3 2 326.488 3.390 20 0 EGADLP CC1(C)C[C@H](n2cc[nH+]c2CCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001171977501 1384702435 /nfs/dbraw/zinc/70/24/35/1384702435.db2.gz RTIONNPANZZADB-GOSISDBHSA-N 3 2 326.488 3.390 20 0 EGADLP CC(C)COCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172457463 1384797274 /nfs/dbraw/zinc/79/72/74/1384797274.db2.gz AKLQTXSETYZANC-XJKSGUPXSA-N 2 2 343.309 3.490 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804239 1384855639 /nfs/dbraw/zinc/85/56/39/1384855639.db2.gz TWXDFGMSXDXVSC-IAGOWNOFSA-N 2 2 345.487 3.070 20 0 EGADLP COC(=O)CCCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001173460499 1384975369 /nfs/dbraw/zinc/97/53/69/1384975369.db2.gz YTENFGWVSPTEFX-INIZCTEOSA-N 2 2 333.476 3.070 20 0 EGADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)cc1 ZINC001173723500 1385009896 /nfs/dbraw/zinc/00/98/96/1385009896.db2.gz WXDRUPSQWRTQRM-YJBOKZPZSA-N 2 2 332.488 3.114 20 0 EGADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)cc1 ZINC001173723500 1385009900 /nfs/dbraw/zinc/00/99/00/1385009900.db2.gz WXDRUPSQWRTQRM-YJBOKZPZSA-N 2 2 332.488 3.114 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCc2ccccc2F)c(C)[nH+]1 ZINC001317255054 1385025642 /nfs/dbraw/zinc/02/56/42/1385025642.db2.gz KIJVUFGYMMWAOJ-OAHLLOKOSA-N 2 2 343.446 3.097 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCc2ccccc2F)c(C)[nH+]1 ZINC001317255047 1385025688 /nfs/dbraw/zinc/02/56/88/1385025688.db2.gz KIJVUFGYMMWAOJ-HNNXBMFYSA-N 2 2 343.446 3.097 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001174581600 1385122298 /nfs/dbraw/zinc/12/22/98/1385122298.db2.gz UWWMQAHDIYYGIV-SFHVURJKSA-N 2 2 342.487 3.046 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174588575 1385123242 /nfs/dbraw/zinc/12/32/42/1385123242.db2.gz NPDKMBZRLMOHCX-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501412 1385313101 /nfs/dbraw/zinc/31/31/01/1385313101.db2.gz DOYQJMJIINEIND-KGLIPLIRSA-N 2 2 348.413 3.051 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(C)s1 ZINC001175880895 1385428379 /nfs/dbraw/zinc/42/83/79/1385428379.db2.gz GNJILENTNZSLLX-CYBMUJFWSA-N 2 2 348.516 3.095 20 0 EGADLP CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001175881861 1385428751 /nfs/dbraw/zinc/42/87/51/1385428751.db2.gz YQDZQXIRSBHHNX-WMZOPIPTSA-N 2 2 342.487 3.368 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176167101 1385501249 /nfs/dbraw/zinc/50/12/49/1385501249.db2.gz XLCHXUDDICCNEY-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP C[NH+](C)CCCOc1ccc(Nc2ccc[nH+]c2N2CCCC2)cn1 ZINC001176352089 1385560849 /nfs/dbraw/zinc/56/08/49/1385560849.db2.gz LOINVCDMLQMGCV-UHFFFAOYSA-N 2 2 341.459 3.151 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176391766 1385574068 /nfs/dbraw/zinc/57/40/68/1385574068.db2.gz HHDKTSAUSMGISR-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP CCC[N@H+](CCCC(=O)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891264 1385735271 /nfs/dbraw/zinc/73/52/71/1385735271.db2.gz CQOHXKCHNRVGOH-UHFFFAOYSA-N 2 2 332.488 3.316 20 0 EGADLP CCC[N@@H+](CCCC(=O)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001176891264 1385735278 /nfs/dbraw/zinc/73/52/78/1385735278.db2.gz CQOHXKCHNRVGOH-UHFFFAOYSA-N 2 2 332.488 3.316 20 0 EGADLP Cc1ccc2ncc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)n2c1 ZINC001177186606 1385851080 /nfs/dbraw/zinc/85/10/80/1385851080.db2.gz SKSLMOFBSOZYHB-UHFFFAOYSA-N 2 2 348.494 3.439 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc4nccnc4c3)c2)c[nH+]1 ZINC001177217282 1385868452 /nfs/dbraw/zinc/86/84/52/1385868452.db2.gz JDAWCSJYRHPCLL-UHFFFAOYSA-N 2 2 329.407 3.164 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC001177278540 1385894082 /nfs/dbraw/zinc/89/40/82/1385894082.db2.gz ZCKDILBWSXVWBI-IRXDYDNUSA-N 2 2 337.552 3.266 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC001177278540 1385894088 /nfs/dbraw/zinc/89/40/88/1385894088.db2.gz ZCKDILBWSXVWBI-IRXDYDNUSA-N 2 2 337.552 3.266 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccc2c(c1)CCO2 ZINC001319049973 1385945910 /nfs/dbraw/zinc/94/59/10/1385945910.db2.gz OIJKBYOPYSRVJW-UHFFFAOYSA-N 2 2 348.406 3.082 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC001319554698 1386176187 /nfs/dbraw/zinc/17/61/87/1386176187.db2.gz YYNIVJMCPFLUSR-KRWDZBQOSA-N 2 2 347.466 3.332 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC001319554698 1386176190 /nfs/dbraw/zinc/17/61/90/1386176190.db2.gz YYNIVJMCPFLUSR-KRWDZBQOSA-N 2 2 347.466 3.332 20 0 EGADLP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346959 1386193785 /nfs/dbraw/zinc/19/37/85/1386193785.db2.gz YRRKQLVOUZAOOB-PLNGDYQASA-N 2 2 334.508 3.355 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752447 1386294104 /nfs/dbraw/zinc/29/41/04/1386294104.db2.gz QQIGNBUTXFQBKH-IAGOWNOFSA-N 2 2 334.508 3.360 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752447 1386294110 /nfs/dbraw/zinc/29/41/10/1386294110.db2.gz QQIGNBUTXFQBKH-IAGOWNOFSA-N 2 2 334.508 3.360 20 0 EGADLP O=C(NCCCCCC[NH2+]C/C=C\Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001178828732 1386320664 /nfs/dbraw/zinc/32/06/64/1386320664.db2.gz YYIPJTJQCZYOIU-ALCCZGGFSA-N 2 2 334.851 3.195 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178851503 1386327731 /nfs/dbraw/zinc/32/77/31/1386327731.db2.gz DCROUIJNIVRXJZ-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178865644 1386332850 /nfs/dbraw/zinc/33/28/50/1386332850.db2.gz QIYGKAFQPDRTBG-QGZVFWFLSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178866144 1386333288 /nfs/dbraw/zinc/33/32/88/1386333288.db2.gz VIDZUNHBYRIYTG-QGZVFWFLSA-N 2 2 348.535 3.148 20 0 EGADLP Cc1cccc(C[NH2+]CCCCCCNC(=O)CCn2cc[nH+]c2)c1 ZINC001179176370 1386418966 /nfs/dbraw/zinc/41/89/66/1386418966.db2.gz UQQNIVNKUZFGEH-UHFFFAOYSA-N 2 2 342.487 3.048 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001179689449 1386554061 /nfs/dbraw/zinc/55/40/61/1386554061.db2.gz CBKRXMXWTLPEJU-QZTJIDSGSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@@H](CC(=O)NCCCCCC[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001179705359 1386560759 /nfs/dbraw/zinc/56/07/59/1386560759.db2.gz ANFDPJIAPGTFQV-INIZCTEOSA-N 2 2 348.516 3.362 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179776650 1386580366 /nfs/dbraw/zinc/58/03/66/1386580366.db2.gz CVJGNLXBMDYUJH-KRWDZBQOSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179776650 1386580369 /nfs/dbraw/zinc/58/03/69/1386580369.db2.gz CVJGNLXBMDYUJH-KRWDZBQOSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC001179907044 1386624403 /nfs/dbraw/zinc/62/44/03/1386624403.db2.gz UFLJWMATKYTHBB-OAHLLOKOSA-N 2 2 346.450 3.119 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001179906895 1386624727 /nfs/dbraw/zinc/62/47/27/1386624727.db2.gz PCXAKPUFNVWUCB-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001180159127 1386718116 /nfs/dbraw/zinc/71/81/16/1386718116.db2.gz ZTTMISQVRXVIKC-UHFFFAOYSA-N 2 2 334.508 3.107 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@H+](C)CCCO)CC2)c(C)c1 ZINC001180233739 1386741396 /nfs/dbraw/zinc/74/13/96/1386741396.db2.gz HEAAIPDSCFMJTL-FNORWQNLSA-N 2 2 330.516 3.404 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC001180233739 1386741400 /nfs/dbraw/zinc/74/14/00/1386741400.db2.gz HEAAIPDSCFMJTL-FNORWQNLSA-N 2 2 330.516 3.404 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCOCC(F)(F)C(F)F)[nH+]1 ZINC001320951210 1386767673 /nfs/dbraw/zinc/76/76/73/1386767673.db2.gz YBBGOEKICMGALM-ZDUSSCGKSA-N 2 2 349.372 3.183 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCOCC(F)(F)C(F)F)[nH+]1 ZINC001320951210 1386767682 /nfs/dbraw/zinc/76/76/82/1386767682.db2.gz YBBGOEKICMGALM-ZDUSSCGKSA-N 2 2 349.372 3.183 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C=O)c(C)cc1C ZINC001321079557 1386803350 /nfs/dbraw/zinc/80/33/50/1386803350.db2.gz INCBTEZMUWESNL-UHFFFAOYSA-N 2 2 334.379 3.257 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)n1cc[nH+]c1 ZINC001322024930 1387033755 /nfs/dbraw/zinc/03/37/55/1387033755.db2.gz LNKKPHJIPFSDQL-HOTGVXAUSA-N 2 2 326.444 3.315 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)n1cc[nH+]c1 ZINC001322024930 1387033759 /nfs/dbraw/zinc/03/37/59/1387033759.db2.gz LNKKPHJIPFSDQL-HOTGVXAUSA-N 2 2 326.444 3.315 20 0 EGADLP Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)[nH+]c2ccccc12 ZINC001322325507 1387159172 /nfs/dbraw/zinc/15/91/72/1387159172.db2.gz NWSVENUAJJWLBE-UHFFFAOYSA-N 2 2 325.456 3.092 20 0 EGADLP CC(C)(C)[NH2+]CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001322391171 1387177692 /nfs/dbraw/zinc/17/76/92/1387177692.db2.gz CUFAAZZGRPDXJP-UHFFFAOYSA-N 2 2 326.444 3.213 20 0 EGADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001338019775 1389519421 /nfs/dbraw/zinc/51/94/21/1389519421.db2.gz FLSCXIYKBILXCZ-FUHWJXTLSA-N 2 2 349.544 3.218 20 0 EGADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001338019775 1389519426 /nfs/dbraw/zinc/51/94/26/1389519426.db2.gz FLSCXIYKBILXCZ-FUHWJXTLSA-N 2 2 349.544 3.218 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc3oc(=O)oc3c2)[nH+]1 ZINC001333704373 1390379068 /nfs/dbraw/zinc/37/90/68/1390379068.db2.gz XKAPRFWGWNQWAX-HNNXBMFYSA-N 2 2 339.395 3.166 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc3oc(=O)oc3c2)[nH+]1 ZINC001333704373 1390379070 /nfs/dbraw/zinc/37/90/70/1390379070.db2.gz XKAPRFWGWNQWAX-HNNXBMFYSA-N 2 2 339.395 3.166 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001342809338 1390657264 /nfs/dbraw/zinc/65/72/64/1390657264.db2.gz MQJCAKXUHHTEAN-AWEZNQCLSA-N 2 2 331.416 3.016 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)[nH+]c1C ZINC001353147193 1391944663 /nfs/dbraw/zinc/94/46/63/1391944663.db2.gz RKIGOAHYFAFYIP-UHFFFAOYSA-N 2 2 326.444 3.412 20 0 EGADLP CC[NH+](CC)CC[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001353497576 1392024288 /nfs/dbraw/zinc/02/42/88/1392024288.db2.gz LCMXTNSHABVXCJ-AEFFLSMTSA-N 2 2 342.487 3.168 20 0 EGADLP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001479311697 1392210384 /nfs/dbraw/zinc/21/03/84/1392210384.db2.gz ZNJOWZHLZGPXLJ-XYJFISCASA-N 2 2 340.471 3.016 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001480365092 1392708472 /nfs/dbraw/zinc/70/84/72/1392708472.db2.gz AFSOKGFEMHDUCQ-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP C[C@H]([NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001490687686 1394295830 /nfs/dbraw/zinc/29/58/30/1394295830.db2.gz TWHJFDXHFAPAEK-YJBOKZPZSA-N 2 2 348.450 3.194 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001491211065 1394472861 /nfs/dbraw/zinc/47/28/61/1394472861.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001491211065 1394472863 /nfs/dbraw/zinc/47/28/63/1394472863.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001491211065 1394472867 /nfs/dbraw/zinc/47/28/67/1394472867.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001491211065 1394472869 /nfs/dbraw/zinc/47/28/69/1394472869.db2.gz XSFZSBBQMQUZRR-QGZVFWFLSA-N 2 2 334.508 3.139 20 0 EGADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@H](C)c1ccccc1 ZINC001481831709 1394550125 /nfs/dbraw/zinc/55/01/25/1394550125.db2.gz BZFZORRNRGBKQC-WBVHZDCISA-N 2 2 336.439 3.194 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001484759512 1395511314 /nfs/dbraw/zinc/51/13/14/1395511314.db2.gz GKQJQJMILSPRBM-IAGOWNOFSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001484759512 1395511317 /nfs/dbraw/zinc/51/13/17/1395511317.db2.gz GKQJQJMILSPRBM-IAGOWNOFSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001484759512 1395511318 /nfs/dbraw/zinc/51/13/18/1395511318.db2.gz GKQJQJMILSPRBM-IAGOWNOFSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC001484759512 1395511321 /nfs/dbraw/zinc/51/13/21/1395511321.db2.gz GKQJQJMILSPRBM-IAGOWNOFSA-N 2 2 342.487 3.130 20 0 EGADLP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1Cl ZINC001492090303 1396303625 /nfs/dbraw/zinc/30/36/25/1396303625.db2.gz RENBJLVTHMTLFC-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001492115338 1396305455 /nfs/dbraw/zinc/30/54/55/1396305455.db2.gz RYIVYUZZYJUFKM-OLZOCXBDSA-N 2 2 348.878 3.160 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001496091256 1396600263 /nfs/dbraw/zinc/60/02/63/1396600263.db2.gz ACVDLBPRVLBEQK-LSDHHAIUSA-N 2 2 336.439 3.374 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001496349504 1396660339 /nfs/dbraw/zinc/66/03/39/1396660339.db2.gz CRXFRQPVHZNXQG-YOEHRIQHSA-N 2 2 342.487 3.439 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CC[C@@H](C)O1 ZINC001691187611 1405125850 /nfs/dbraw/zinc/12/58/50/1405125850.db2.gz ODJJHXRQDKGYOE-SJLPKXTDSA-N 2 2 347.503 3.016 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CC[C@@H](C)O1 ZINC001691187611 1405125854 /nfs/dbraw/zinc/12/58/54/1405125854.db2.gz ODJJHXRQDKGYOE-SJLPKXTDSA-N 2 2 347.503 3.016 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001732077314 1428329448 /nfs/dbraw/zinc/32/94/48/1428329448.db2.gz XBNAOPAXIXIIJY-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001732077314 1428329453 /nfs/dbraw/zinc/32/94/53/1428329453.db2.gz XBNAOPAXIXIIJY-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001732366050 1428550149 /nfs/dbraw/zinc/55/01/49/1428550149.db2.gz AEWRMOMAJRZDSL-QWHCGFSZSA-N 2 2 348.878 3.017 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001700129329 1413544649 /nfs/dbraw/zinc/54/46/49/1413544649.db2.gz QVISJEBDTMYVPE-SJLPKXTDSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001700129329 1413544651 /nfs/dbraw/zinc/54/46/51/1413544651.db2.gz QVISJEBDTMYVPE-SJLPKXTDSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001700900542 1414556067 /nfs/dbraw/zinc/55/60/67/1414556067.db2.gz JLSVWECWPGVUGY-IAGOWNOFSA-N 2 2 342.487 3.259 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)c1 ZINC001700995019 1414642658 /nfs/dbraw/zinc/64/26/58/1414642658.db2.gz MPJNJDFVWBZEBZ-WBVHZDCISA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001732595434 1428829461 /nfs/dbraw/zinc/82/94/61/1428829461.db2.gz RSXARXFFCFCLEX-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001732595434 1428829466 /nfs/dbraw/zinc/82/94/66/1428829466.db2.gz RSXARXFFCFCLEX-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001732595434 1428829476 /nfs/dbraw/zinc/82/94/76/1428829476.db2.gz RSXARXFFCFCLEX-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001732595434 1428829489 /nfs/dbraw/zinc/82/94/89/1428829489.db2.gz RSXARXFFCFCLEX-IAGOWNOFSA-N 2 2 342.487 3.048 20 0 EGADLP CC1(C)CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001707064064 1417179080 /nfs/dbraw/zinc/17/90/80/1417179080.db2.gz DMXDBEVNYATQQS-MAEOIBBWSA-N 2 2 346.519 3.043 20 0 EGADLP CC1(C)CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001707064064 1417179082 /nfs/dbraw/zinc/17/90/82/1417179082.db2.gz DMXDBEVNYATQQS-MAEOIBBWSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1ccccc1F ZINC001713319556 1417944632 /nfs/dbraw/zinc/94/46/32/1417944632.db2.gz COJASNNKVHBDBP-OLZOCXBDSA-N 2 2 340.402 3.171 20 0 EGADLP O=C(NCC[N@H+](CCC1CCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001713558695 1418354759 /nfs/dbraw/zinc/35/47/59/1418354759.db2.gz RIFTXZVTVVLFTN-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NCC[N@@H+](CCC1CCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001713558695 1418354763 /nfs/dbraw/zinc/35/47/63/1418354763.db2.gz RIFTXZVTVVLFTN-UHFFFAOYSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714049615 1418848097 /nfs/dbraw/zinc/84/80/97/1418848097.db2.gz WTRYYEAEFSDGHA-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714049615 1418848099 /nfs/dbraw/zinc/84/80/99/1418848099.db2.gz WTRYYEAEFSDGHA-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP CCC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H](C)CC ZINC001714654318 1419434869 /nfs/dbraw/zinc/43/48/69/1419434869.db2.gz ULMWRBZRWLZXJF-OAHLLOKOSA-N 2 2 330.476 3.131 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H](C)CC ZINC001714654318 1419434871 /nfs/dbraw/zinc/43/48/71/1419434871.db2.gz ULMWRBZRWLZXJF-OAHLLOKOSA-N 2 2 330.476 3.131 20 0 EGADLP CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714864732 1419590729 /nfs/dbraw/zinc/59/07/29/1419590729.db2.gz PIISCMRHXIIWSK-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CCCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001714864732 1419590734 /nfs/dbraw/zinc/59/07/34/1419590734.db2.gz PIISCMRHXIIWSK-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001715047843 1419788785 /nfs/dbraw/zinc/78/87/85/1419788785.db2.gz SOCMPTKIMYPFPO-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001715047843 1419788787 /nfs/dbraw/zinc/78/87/87/1419788787.db2.gz SOCMPTKIMYPFPO-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257847 1419979779 /nfs/dbraw/zinc/97/97/79/1419979779.db2.gz OHUBYQPFOLTGJT-HZPDHXFCSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257847 1419979782 /nfs/dbraw/zinc/97/97/82/1419979782.db2.gz OHUBYQPFOLTGJT-HZPDHXFCSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1[nH+]ccn1C ZINC001716033309 1420492130 /nfs/dbraw/zinc/49/21/30/1420492130.db2.gz PFJSRNRQUWVWQD-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1[nH+]ccn1C ZINC001716033309 1420492131 /nfs/dbraw/zinc/49/21/31/1420492131.db2.gz PFJSRNRQUWVWQD-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716242972 1420579138 /nfs/dbraw/zinc/57/91/38/1420579138.db2.gz TZFJWGZAULDGSV-CVEARBPZSA-N 2 2 346.450 3.173 20 0 EGADLP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001716446602 1420664766 /nfs/dbraw/zinc/66/47/66/1420664766.db2.gz FFHSUHULXHWBDL-KRWDZBQOSA-N 2 2 348.450 3.089 20 0 EGADLP C[C@H]([NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001716616264 1420779931 /nfs/dbraw/zinc/77/99/31/1420779931.db2.gz KHLBZKGBOGFBLN-MAUKXSAKSA-N 2 2 348.450 3.194 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653443 1420806908 /nfs/dbraw/zinc/80/69/08/1420806908.db2.gz IDSSXMFMBOWHMU-HOCLYGCPSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653443 1420806911 /nfs/dbraw/zinc/80/69/11/1420806911.db2.gz IDSSXMFMBOWHMU-HOCLYGCPSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001716653443 1420806914 /nfs/dbraw/zinc/80/69/14/1420806914.db2.gz IDSSXMFMBOWHMU-HOCLYGCPSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653443 1420806915 /nfs/dbraw/zinc/80/69/15/1420806915.db2.gz IDSSXMFMBOWHMU-HOCLYGCPSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001716901825 1421033952 /nfs/dbraw/zinc/03/39/52/1421033952.db2.gz QHLWZOQXNINXFX-OXQOHEQNSA-N 2 2 348.535 3.161 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001716901825 1421033955 /nfs/dbraw/zinc/03/39/55/1421033955.db2.gz QHLWZOQXNINXFX-OXQOHEQNSA-N 2 2 348.535 3.161 20 0 EGADLP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001717115177 1421118991 /nfs/dbraw/zinc/11/89/91/1421118991.db2.gz KFSRCUNKBCAXBX-HNNXBMFYSA-N 2 2 336.439 3.325 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001717144807 1421137645 /nfs/dbraw/zinc/13/76/45/1421137645.db2.gz ZONJKTROCRPXRC-MSOLQXFVSA-N 2 2 334.508 3.097 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCC(C)(C)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001725148674 1425632664 /nfs/dbraw/zinc/63/26/64/1425632664.db2.gz YFAFEVBAROWOCB-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731297933 1427240470 /nfs/dbraw/zinc/24/04/70/1427240470.db2.gz VFHMVUKOLDQIMN-DOTOQJQBSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@@H](CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001731350720 1427289238 /nfs/dbraw/zinc/28/92/38/1427289238.db2.gz LCESRNHZUFABIQ-KRWDZBQOSA-N 2 2 346.519 3.337 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001731812832 1427998521 /nfs/dbraw/zinc/99/85/21/1427998521.db2.gz GLCJRPOWWABOMX-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001731812832 1427998525 /nfs/dbraw/zinc/99/85/25/1427998525.db2.gz GLCJRPOWWABOMX-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CCCC[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001734098627 1437882619 /nfs/dbraw/zinc/88/26/19/1437882619.db2.gz YZIPNZBZRKXJEE-JCYILVPMSA-N 2 2 342.487 3.259 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+](CCCCCF)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001752782895 1440209592 /nfs/dbraw/zinc/20/95/92/1440209592.db2.gz SZNQXCNEMUKEFL-HNNXBMFYSA-N 2 2 346.450 3.145 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+](CCCCCF)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001752782895 1440209593 /nfs/dbraw/zinc/20/95/93/1440209593.db2.gz SZNQXCNEMUKEFL-HNNXBMFYSA-N 2 2 346.450 3.145 20 0 EGADLP C[C@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1)n1cc[nH+]c1 ZINC001752906529 1440244214 /nfs/dbraw/zinc/24/42/14/1440244214.db2.gz LSYGPYARJIGPOB-JKSUJKDBSA-N 2 2 340.471 3.006 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752944736 1440251284 /nfs/dbraw/zinc/25/12/84/1440251284.db2.gz XWFYVLMQTPSRCO-YIEVGGLXSA-N 2 2 340.471 3.361 20 0 EGADLP C[C@H](CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036389 1440274967 /nfs/dbraw/zinc/27/49/67/1440274967.db2.gz XMMOGMPRSBLPGC-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036389 1440274968 /nfs/dbraw/zinc/27/49/68/1440274968.db2.gz XMMOGMPRSBLPGC-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](CC3CCCC3)C3CC3)ccn12 ZINC001753154353 1440329886 /nfs/dbraw/zinc/32/98/86/1440329886.db2.gz FHFSDXFAKZTJFW-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](CC3CCCC3)C3CC3)ccn12 ZINC001753154353 1440329887 /nfs/dbraw/zinc/32/98/87/1440329887.db2.gz FHFSDXFAKZTJFW-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1)n1cc[nH+]c1 ZINC001753550735 1440435022 /nfs/dbraw/zinc/43/50/22/1440435022.db2.gz WUQFGSKNFFSGQO-OALUTQOASA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001753695543 1440467423 /nfs/dbraw/zinc/46/74/23/1440467423.db2.gz SBBVLIQZDIXIFK-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001753695543 1440467424 /nfs/dbraw/zinc/46/74/24/1440467424.db2.gz SBBVLIQZDIXIFK-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001753704031 1440469230 /nfs/dbraw/zinc/46/92/30/1440469230.db2.gz SUCYEGPXFGPVSJ-HNNXBMFYSA-N 2 2 345.512 3.361 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748594 1440481974 /nfs/dbraw/zinc/48/19/74/1440481974.db2.gz RDNKRGOHZBOOTD-HNAYVOBHSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001753748594 1440481975 /nfs/dbraw/zinc/48/19/75/1440481975.db2.gz RDNKRGOHZBOOTD-HNAYVOBHSA-N 2 2 346.519 3.043 20 0 EGADLP CCC/C=C/CC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753858295 1440510285 /nfs/dbraw/zinc/51/02/85/1440510285.db2.gz UZQOPBBMNUDYDG-VOTSOKGWSA-N 2 2 328.460 3.085 20 0 EGADLP CCC/C=C/CC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753858295 1440510286 /nfs/dbraw/zinc/51/02/86/1440510286.db2.gz UZQOPBBMNUDYDG-VOTSOKGWSA-N 2 2 328.460 3.085 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CCc2ccccc2)c(C)[nH+]1 ZINC001753985044 1440528347 /nfs/dbraw/zinc/52/83/47/1440528347.db2.gz LYAMIGYTGOEARJ-MRXNPFEDSA-N 2 2 339.483 3.348 20 0 EGADLP CCN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001754057652 1440536452 /nfs/dbraw/zinc/53/64/52/1440536452.db2.gz BXXIFQGXKFNFOH-CEXWTWQISA-N 2 2 343.515 3.495 20 0 EGADLP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001754236244 1440554977 /nfs/dbraw/zinc/55/49/77/1440554977.db2.gz HEPDHQCYZDFRST-OAHLLOKOSA-N 2 2 328.460 3.016 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001754276280 1440562263 /nfs/dbraw/zinc/56/22/63/1440562263.db2.gz IUNZGXHMHFJEDD-HOTGVXAUSA-N 2 2 336.439 3.112 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001754352605 1440591078 /nfs/dbraw/zinc/59/10/78/1440591078.db2.gz ZMDUTFNKKPUVIY-ZWKOTPCHSA-N 2 2 348.535 3.364 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754543351 1440626710 /nfs/dbraw/zinc/62/67/10/1440626710.db2.gz BRXJJMCGFYHXJM-UQJGCHFZSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754543351 1440626711 /nfs/dbraw/zinc/62/67/11/1440626711.db2.gz BRXJJMCGFYHXJM-UQJGCHFZSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754543351 1440626712 /nfs/dbraw/zinc/62/67/12/1440626712.db2.gz BRXJJMCGFYHXJM-UQJGCHFZSA-N 2 2 344.503 3.010 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001754543351 1440626713 /nfs/dbraw/zinc/62/67/13/1440626713.db2.gz BRXJJMCGFYHXJM-UQJGCHFZSA-N 2 2 344.503 3.010 20 0 EGADLP CCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001754874299 1440706278 /nfs/dbraw/zinc/70/62/78/1440706278.db2.gz RTSLGMPXPIEACZ-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CCCCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001754874299 1440706279 /nfs/dbraw/zinc/70/62/79/1440706279.db2.gz RTSLGMPXPIEACZ-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001754953538 1440715593 /nfs/dbraw/zinc/71/55/93/1440715593.db2.gz FTNKFAAHHCNHQU-SZMVWBNQSA-N 2 2 348.535 3.237 20 0 EGADLP O=C(N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001754953555 1440715711 /nfs/dbraw/zinc/71/57/11/1440715711.db2.gz GFKGBUPJFPJPJG-YEHPQQKYSA-N 2 2 346.862 3.194 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024780 1440728078 /nfs/dbraw/zinc/72/80/78/1440728078.db2.gz INEKDEIOJJWXGU-RBUKOAKNSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024780 1440728079 /nfs/dbraw/zinc/72/80/79/1440728079.db2.gz INEKDEIOJJWXGU-RBUKOAKNSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2ccsc2)c[nH+]1 ZINC001755506177 1440863055 /nfs/dbraw/zinc/86/30/55/1440863055.db2.gz HDSUKUBONZWMFL-AWEZNQCLSA-N 2 2 348.516 3.063 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C)c(C)[nH+]1 ZINC001755828976 1440928105 /nfs/dbraw/zinc/92/81/05/1440928105.db2.gz VAPIEIZVOJVLBJ-CJNGLKHVSA-N 2 2 337.483 3.489 20 0 EGADLP CC(C)C[C@H](C(=O)NC1(C2CC[NH+](C(C)C)CC2)CC1)n1cc[nH+]c1 ZINC001755868998 1440938650 /nfs/dbraw/zinc/93/86/50/1440938650.db2.gz OPUNHWHSSRORRY-GOSISDBHSA-N 2 2 346.519 3.240 20 0 EGADLP CC[NH+](CC)C1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC001165054592 722006741 /nfs/dbraw/zinc/00/67/41/722006741.db2.gz SMPVMQBJGFFQKW-MRXNPFEDSA-N 2 2 331.508 3.024 20 0 EGADLP CC[NH+](CC)C1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC001165054592 722006744 /nfs/dbraw/zinc/00/67/44/722006744.db2.gz SMPVMQBJGFFQKW-MRXNPFEDSA-N 2 2 331.508 3.024 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132538 168315577 /nfs/dbraw/zinc/31/55/77/168315577.db2.gz FXPWWSFPFOFSAN-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132538 168315578 /nfs/dbraw/zinc/31/55/78/168315578.db2.gz FXPWWSFPFOFSAN-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132538 168315579 /nfs/dbraw/zinc/31/55/79/168315579.db2.gz FXPWWSFPFOFSAN-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132538 168315580 /nfs/dbraw/zinc/31/55/80/168315580.db2.gz FXPWWSFPFOFSAN-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531043 168368582 /nfs/dbraw/zinc/36/85/82/168368582.db2.gz SDYKAFBJIQXQGT-SESVDKBCSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531043 168368588 /nfs/dbraw/zinc/36/85/88/168368588.db2.gz SDYKAFBJIQXQGT-SESVDKBCSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531043 168368592 /nfs/dbraw/zinc/36/85/92/168368592.db2.gz SDYKAFBJIQXQGT-SESVDKBCSA-N 3 2 329.532 3.219 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000374366438 282291188 /nfs/dbraw/zinc/29/11/88/282291188.db2.gz RWNCDBCHFDKYAZ-HXUWFJFHSA-N 2 2 343.515 3.270 20 0 EGADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448813 282339438 /nfs/dbraw/zinc/33/94/38/282339438.db2.gz VSQCEVZRKDVZND-WBAXXEDZSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448813 282339439 /nfs/dbraw/zinc/33/94/39/282339439.db2.gz VSQCEVZRKDVZND-WBAXXEDZSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448813 282339441 /nfs/dbraw/zinc/33/94/41/282339441.db2.gz VSQCEVZRKDVZND-WBAXXEDZSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448813 282339443 /nfs/dbraw/zinc/33/94/43/282339443.db2.gz VSQCEVZRKDVZND-WBAXXEDZSA-N 2 2 342.512 3.361 20 0 EGADLP C[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000187802708 236305761 /nfs/dbraw/zinc/30/57/61/236305761.db2.gz QRDZWOYHFFCUQO-CRAIPNDOSA-N 2 2 330.451 3.350 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)C[C@@H](C)C1 ZINC000344825111 291147674 /nfs/dbraw/zinc/14/76/74/291147674.db2.gz JPENIEVAYIRNNM-OHEBNITISA-N 2 2 344.503 3.029 20 0 EGADLP CCC[N@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071314952 202344991 /nfs/dbraw/zinc/34/49/91/202344991.db2.gz YOYIRURWJWWPID-CYBMUJFWSA-N 2 2 327.266 3.032 20 0 EGADLP CCC[N@@H+](Cc1ccc(OC)c(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000071314952 202344995 /nfs/dbraw/zinc/34/49/95/202344995.db2.gz YOYIRURWJWWPID-CYBMUJFWSA-N 2 2 327.266 3.032 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000359999351 201124339 /nfs/dbraw/zinc/12/43/39/201124339.db2.gz OKXYGRNUGUPFBL-ARFHVFGLSA-N 2 2 346.437 3.341 20 0 EGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000264779946 201212468 /nfs/dbraw/zinc/21/24/68/201212468.db2.gz UCTMBXZIWPRLPT-MRXNPFEDSA-N 2 2 329.488 3.111 20 0 EGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000264779946 201212471 /nfs/dbraw/zinc/21/24/71/201212471.db2.gz UCTMBXZIWPRLPT-MRXNPFEDSA-N 2 2 329.488 3.111 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(Cl)n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272556633 201251667 /nfs/dbraw/zinc/25/16/67/201251667.db2.gz TXLTWHASRGDUGO-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(Cl)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272556633 201251669 /nfs/dbraw/zinc/25/16/69/201251669.db2.gz TXLTWHASRGDUGO-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000154508669 201396065 /nfs/dbraw/zinc/39/60/65/201396065.db2.gz WCMLVBWIQIYUJY-WCQYABFASA-N 2 2 327.266 3.203 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1Br ZINC000154508669 201396066 /nfs/dbraw/zinc/39/60/66/201396066.db2.gz WCMLVBWIQIYUJY-WCQYABFASA-N 2 2 327.266 3.203 20 0 EGADLP C[N@H+](CCO[C@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193071978 240007558 /nfs/dbraw/zinc/00/75/58/240007558.db2.gz AWZCKGBMNUGATM-FQEVSTJZSA-N 2 2 332.488 3.126 20 0 EGADLP C[N@@H+](CCO[C@H]1CCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193071978 240007566 /nfs/dbraw/zinc/00/75/66/240007566.db2.gz AWZCKGBMNUGATM-FQEVSTJZSA-N 2 2 332.488 3.126 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418415 243251638 /nfs/dbraw/zinc/25/16/38/243251638.db2.gz SSOYROOVELRDKP-CVEARBPZSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418415 243251641 /nfs/dbraw/zinc/25/16/41/243251641.db2.gz SSOYROOVELRDKP-CVEARBPZSA-N 2 2 325.456 3.050 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858077 203248791 /nfs/dbraw/zinc/24/87/91/203248791.db2.gz IPOAXSKIIDELIU-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858077 203248794 /nfs/dbraw/zinc/24/87/94/203248794.db2.gz IPOAXSKIIDELIU-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858077 203248796 /nfs/dbraw/zinc/24/87/96/203248796.db2.gz IPOAXSKIIDELIU-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858077 203248799 /nfs/dbraw/zinc/24/87/99/203248799.db2.gz IPOAXSKIIDELIU-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000262657996 245104226 /nfs/dbraw/zinc/10/42/26/245104226.db2.gz MVKMXNXOTQTWRA-ROUUACIJSA-N 2 2 345.874 3.067 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109793687 204292870 /nfs/dbraw/zinc/29/28/70/204292870.db2.gz FNEDLFRESIBYRQ-UHFFFAOYSA-N 2 2 340.471 3.106 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150813601 205587353 /nfs/dbraw/zinc/58/73/53/205587353.db2.gz ZTYHFSCEWHUMQO-KRWDZBQOSA-N 2 2 337.467 3.196 20 0 EGADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc2ccccc21 ZINC000150813601 205587359 /nfs/dbraw/zinc/58/73/59/205587359.db2.gz ZTYHFSCEWHUMQO-KRWDZBQOSA-N 2 2 337.467 3.196 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cn2c1 ZINC000264302749 246320951 /nfs/dbraw/zinc/32/09/51/246320951.db2.gz ZGIFIYKIXYYZMW-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H](C)C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000376681429 168937007 /nfs/dbraw/zinc/93/70/07/168937007.db2.gz QWWKBCAGAYKFJN-IAGOWNOFSA-N 2 2 346.519 3.056 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337433 169012064 /nfs/dbraw/zinc/01/20/64/169012064.db2.gz MVABWAWBBKCCBR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337433 169012066 /nfs/dbraw/zinc/01/20/66/169012066.db2.gz MVABWAWBBKCCBR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337433 169012068 /nfs/dbraw/zinc/01/20/68/169012068.db2.gz MVABWAWBBKCCBR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000377337433 169012071 /nfs/dbraw/zinc/01/20/71/169012071.db2.gz MVABWAWBBKCCBR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000377540473 169038803 /nfs/dbraw/zinc/03/88/03/169038803.db2.gz JRCCXTLKKXAGBJ-PMPSAXMXSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)s1 ZINC000377540473 169038804 /nfs/dbraw/zinc/03/88/04/169038804.db2.gz JRCCXTLKKXAGBJ-PMPSAXMXSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540473 169038806 /nfs/dbraw/zinc/03/88/06/169038806.db2.gz JRCCXTLKKXAGBJ-PMPSAXMXSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000377540473 169038807 /nfs/dbraw/zinc/03/88/07/169038807.db2.gz JRCCXTLKKXAGBJ-PMPSAXMXSA-N 2 2 337.533 3.283 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438024 169120395 /nfs/dbraw/zinc/12/03/95/169120395.db2.gz HXMOPGLOGUCRQU-UYAOXDASSA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438024 169120398 /nfs/dbraw/zinc/12/03/98/169120398.db2.gz HXMOPGLOGUCRQU-UYAOXDASSA-N 2 2 338.499 3.373 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488465 169130108 /nfs/dbraw/zinc/13/01/08/169130108.db2.gz AUDMKGARDZEDSQ-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488465 169130110 /nfs/dbraw/zinc/13/01/10/169130110.db2.gz AUDMKGARDZEDSQ-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488465 169130115 /nfs/dbraw/zinc/13/01/15/169130115.db2.gz AUDMKGARDZEDSQ-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)[C@H]2C1 ZINC000378488465 169130118 /nfs/dbraw/zinc/13/01/18/169130118.db2.gz AUDMKGARDZEDSQ-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP O[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1C(F)(F)F ZINC000171941978 206769044 /nfs/dbraw/zinc/76/90/44/206769044.db2.gz KSZBGXDETARGJG-MRXNPFEDSA-N 2 2 339.361 3.272 20 0 EGADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OC(F)F ZINC000176913372 207273725 /nfs/dbraw/zinc/27/37/25/207273725.db2.gz LYIIKDZWBBYKKJ-UHFFFAOYSA-N 2 2 337.370 3.330 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1Cl ZINC000268859569 252308697 /nfs/dbraw/zinc/30/86/97/252308697.db2.gz RQQBPDANDXMVCE-LBPRGKRZSA-N 2 2 331.287 3.491 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000179434037 207632022 /nfs/dbraw/zinc/63/20/22/207632022.db2.gz UYBWVCYJRPHQGK-FQEVSTJZSA-N 2 2 338.499 3.239 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000179434037 207632026 /nfs/dbraw/zinc/63/20/26/207632026.db2.gz UYBWVCYJRPHQGK-FQEVSTJZSA-N 2 2 338.499 3.239 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246599821 141017568 /nfs/dbraw/zinc/01/75/68/141017568.db2.gz DBKWOGKEKRQZDR-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246599821 141017571 /nfs/dbraw/zinc/01/75/71/141017571.db2.gz DBKWOGKEKRQZDR-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246599821 141017576 /nfs/dbraw/zinc/01/75/76/141017576.db2.gz DBKWOGKEKRQZDR-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246599821 141017578 /nfs/dbraw/zinc/01/75/78/141017578.db2.gz DBKWOGKEKRQZDR-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247002404 141048683 /nfs/dbraw/zinc/04/86/83/141048683.db2.gz WZNWCPKNEWKDDX-ZWOKBUDYSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247002404 141048686 /nfs/dbraw/zinc/04/86/86/141048686.db2.gz WZNWCPKNEWKDDX-ZWOKBUDYSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247002404 141048689 /nfs/dbraw/zinc/04/86/89/141048689.db2.gz WZNWCPKNEWKDDX-ZWOKBUDYSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247002404 141048692 /nfs/dbraw/zinc/04/86/92/141048692.db2.gz WZNWCPKNEWKDDX-ZWOKBUDYSA-N 2 2 341.499 3.271 20 0 EGADLP COCC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000338360283 141106771 /nfs/dbraw/zinc/10/67/71/141106771.db2.gz PSYJYXUOBYJUMM-APWZRJJASA-N 2 2 347.503 3.055 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccn2C)CCOCC1)c1ccccc1 ZINC000344514934 141167982 /nfs/dbraw/zinc/16/79/82/141167982.db2.gz GFMFOULPBBXVPL-KRWDZBQOSA-N 2 2 327.472 3.015 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CN(Cc3ccccc3)C[C@@H]1C)CCC2 ZINC000344529300 141169487 /nfs/dbraw/zinc/16/94/87/141169487.db2.gz CDZVNBTWCKNZEM-VDGAXYAQSA-N 2 2 338.499 3.179 20 0 EGADLP COC(=O)c1cc(C[NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c[nH]1 ZINC000346206374 141180338 /nfs/dbraw/zinc/18/03/38/141180338.db2.gz CLJJAFOYMZITQT-IBGZPJMESA-N 2 2 343.471 3.048 20 0 EGADLP COC(=O)c1cc(C[NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c[nH]1 ZINC000346206374 141180340 /nfs/dbraw/zinc/18/03/40/141180340.db2.gz CLJJAFOYMZITQT-IBGZPJMESA-N 2 2 343.471 3.048 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000347994001 141230158 /nfs/dbraw/zinc/23/01/58/141230158.db2.gz DDOIPALVVIPJAV-ROUUACIJSA-N 2 2 334.410 3.150 20 0 EGADLP CCCOc1c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cccc1OCC ZINC000352982248 141282679 /nfs/dbraw/zinc/28/26/79/141282679.db2.gz KLJWJSZKTFFFTL-SJLPKXTDSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cccc1OCC ZINC000352982248 141282681 /nfs/dbraw/zinc/28/26/81/141282681.db2.gz KLJWJSZKTFFFTL-SJLPKXTDSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cccc1OCC ZINC000352982248 141282684 /nfs/dbraw/zinc/28/26/84/141282684.db2.gz KLJWJSZKTFFFTL-SJLPKXTDSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cccc1OCC ZINC000352982248 141282686 /nfs/dbraw/zinc/28/26/86/141282686.db2.gz KLJWJSZKTFFFTL-SJLPKXTDSA-N 2 2 332.488 3.400 20 0 EGADLP CCOC(=O)c1coc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000353462590 141302304 /nfs/dbraw/zinc/30/23/04/141302304.db2.gz VCHOIVGKTLGWOR-QGZVFWFLSA-N 2 2 348.487 3.400 20 0 EGADLP CCOC(=O)c1coc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000353462590 141302307 /nfs/dbraw/zinc/30/23/07/141302307.db2.gz VCHOIVGKTLGWOR-QGZVFWFLSA-N 2 2 348.487 3.400 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)nnn1-c1ccccc1 ZINC000359605151 141384216 /nfs/dbraw/zinc/38/42/16/141384216.db2.gz XFCOXYFGNMTGKC-QGZVFWFLSA-N 2 2 341.503 3.348 20 0 EGADLP CN(Cc1ccccc1)[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000185221279 144107576 /nfs/dbraw/zinc/10/75/76/144107576.db2.gz QKMDZUBNHGYCPA-HXUWFJFHSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734385 144118200 /nfs/dbraw/zinc/11/82/00/144118200.db2.gz STWDLJGGOGSLIX-RDJZCZTQSA-N 2 2 340.471 3.479 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734385 144118202 /nfs/dbraw/zinc/11/82/02/144118202.db2.gz STWDLJGGOGSLIX-RDJZCZTQSA-N 2 2 340.471 3.479 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000186775825 144143125 /nfs/dbraw/zinc/14/31/25/144143125.db2.gz JTEBMDHRBOTKSB-VKJFTORMSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000186775825 144143127 /nfs/dbraw/zinc/14/31/27/144143127.db2.gz JTEBMDHRBOTKSB-VKJFTORMSA-N 2 2 344.528 3.450 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381460 144262942 /nfs/dbraw/zinc/26/29/42/144262942.db2.gz GDMMOYBQNGKRJZ-QGZVFWFLSA-N 2 2 342.405 3.125 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381460 144262944 /nfs/dbraw/zinc/26/29/44/144262944.db2.gz GDMMOYBQNGKRJZ-QGZVFWFLSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381460 144262946 /nfs/dbraw/zinc/26/29/46/144262946.db2.gz GDMMOYBQNGKRJZ-QGZVFWFLSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381460 144262947 /nfs/dbraw/zinc/26/29/47/144262947.db2.gz GDMMOYBQNGKRJZ-QGZVFWFLSA-N 2 2 342.405 3.125 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000351483815 144267970 /nfs/dbraw/zinc/26/79/70/144267970.db2.gz PMGYSOAPGDIRGA-VJSYINPZSA-N 2 2 346.515 3.013 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000351483815 144267971 /nfs/dbraw/zinc/26/79/71/144267971.db2.gz PMGYSOAPGDIRGA-VJSYINPZSA-N 2 2 346.515 3.013 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@H]12 ZINC000351494997 144269298 /nfs/dbraw/zinc/26/92/98/144269298.db2.gz OPUPOEDUPILPAU-OAUYIBNBSA-N 2 2 347.459 3.030 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@H]12 ZINC000351494997 144269299 /nfs/dbraw/zinc/26/92/99/144269299.db2.gz OPUPOEDUPILPAU-OAUYIBNBSA-N 2 2 347.459 3.030 20 0 EGADLP Cc1nc2ccc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)cc2s1 ZINC000351546988 144277498 /nfs/dbraw/zinc/27/74/98/144277498.db2.gz VHANXZITPGKKFZ-UHFFFAOYSA-N 2 2 335.436 3.279 20 0 EGADLP CCn1nc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c2ccccc21 ZINC000351568673 144281119 /nfs/dbraw/zinc/28/11/19/144281119.db2.gz OKZWFCXBDXCTJY-UHFFFAOYSA-N 2 2 332.411 3.308 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574181 144282560 /nfs/dbraw/zinc/28/25/60/144282560.db2.gz NIBWMWVYNVLMIF-ONGXEEELSA-N 2 2 335.250 3.238 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574181 144282562 /nfs/dbraw/zinc/28/25/62/144282562.db2.gz NIBWMWVYNVLMIF-ONGXEEELSA-N 2 2 335.250 3.238 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574179 144282742 /nfs/dbraw/zinc/28/27/42/144282742.db2.gz NIBWMWVYNVLMIF-KOLCDFICSA-N 2 2 335.250 3.238 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574179 144282743 /nfs/dbraw/zinc/28/27/43/144282743.db2.gz NIBWMWVYNVLMIF-KOLCDFICSA-N 2 2 335.250 3.238 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)[nH]1 ZINC000351702639 144292417 /nfs/dbraw/zinc/29/24/17/144292417.db2.gz CSVIYEJWUYKAQG-IEBWSBKVSA-N 2 2 341.455 3.347 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)[nH]1 ZINC000351702639 144292418 /nfs/dbraw/zinc/29/24/18/144292418.db2.gz CSVIYEJWUYKAQG-IEBWSBKVSA-N 2 2 341.455 3.347 20 0 EGADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361742743 144358507 /nfs/dbraw/zinc/35/85/07/144358507.db2.gz BFUAHSLQPZGCQU-QGZVFWFLSA-N 2 2 335.492 3.496 20 0 EGADLP Cc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341352791 155249210 /nfs/dbraw/zinc/24/92/10/155249210.db2.gz JRXOHGOPBSGYEQ-SFHVURJKSA-N 2 2 339.483 3.412 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341425024 155284314 /nfs/dbraw/zinc/28/43/14/155284314.db2.gz MYSGQDMDVSVCQS-UGKGYDQZSA-N 2 2 349.478 3.307 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341425024 155284315 /nfs/dbraw/zinc/28/43/15/155284315.db2.gz MYSGQDMDVSVCQS-UGKGYDQZSA-N 2 2 349.478 3.307 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2)n1 ZINC000119303469 152193972 /nfs/dbraw/zinc/19/39/72/152193972.db2.gz YTCLIEOVXWAUSF-RHSMWYFYSA-N 2 2 340.471 3.056 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2)n1 ZINC000119303469 152193978 /nfs/dbraw/zinc/19/39/78/152193978.db2.gz YTCLIEOVXWAUSF-RHSMWYFYSA-N 2 2 340.471 3.056 20 0 EGADLP C[C@@H]1CCc2nc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)sc2C1 ZINC000121781919 152371529 /nfs/dbraw/zinc/37/15/29/152371529.db2.gz LBWZIAZJGVARCC-CQSZACIVSA-N 2 2 344.528 3.456 20 0 EGADLP COc1cc(Cl)ccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341582846 155365906 /nfs/dbraw/zinc/36/59/06/155365906.db2.gz CHKMNFYWLQNOJQ-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000192122556 153242421 /nfs/dbraw/zinc/24/24/21/153242421.db2.gz ZEGVXRWHFBYUHH-QGZVFWFLSA-N 2 2 349.862 3.471 20 0 EGADLP CCOC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000192122556 153242424 /nfs/dbraw/zinc/24/24/24/153242424.db2.gz ZEGVXRWHFBYUHH-QGZVFWFLSA-N 2 2 349.862 3.471 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000193165749 153280839 /nfs/dbraw/zinc/28/08/39/153280839.db2.gz MMTFILBRNJEIQM-PXNSSMCTSA-N 2 2 344.499 3.345 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000193165749 153280847 /nfs/dbraw/zinc/28/08/47/153280847.db2.gz MMTFILBRNJEIQM-PXNSSMCTSA-N 2 2 344.499 3.345 20 0 EGADLP C[C@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305195545 154088521 /nfs/dbraw/zinc/08/85/21/154088521.db2.gz ZFSIETIYYSBKHC-RBUKOAKNSA-N 2 2 336.907 3.445 20 0 EGADLP C[C@@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305195541 154089108 /nfs/dbraw/zinc/08/91/08/154089108.db2.gz ZFSIETIYYSBKHC-MOPGFXCFSA-N 2 2 336.907 3.445 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310964985 154145430 /nfs/dbraw/zinc/14/54/30/154145430.db2.gz OLXREMGXZXLJAS-YJBOKZPZSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310964985 154145433 /nfs/dbraw/zinc/14/54/33/154145433.db2.gz OLXREMGXZXLJAS-YJBOKZPZSA-N 2 2 342.439 3.066 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@H](C[NH3+])C1 ZINC000346830139 156155516 /nfs/dbraw/zinc/15/55/16/156155516.db2.gz JXBLVTTUAYCKRW-JKSUJKDBSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@H](C[NH3+])C1 ZINC000346830139 156155519 /nfs/dbraw/zinc/15/55/19/156155519.db2.gz JXBLVTTUAYCKRW-JKSUJKDBSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000346851377 156164952 /nfs/dbraw/zinc/16/49/52/156164952.db2.gz JIGJEGNREWDSQN-HZPDHXFCSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@@H](C[NH3+])C1 ZINC000346851377 156164954 /nfs/dbraw/zinc/16/49/54/156164954.db2.gz JIGJEGNREWDSQN-HZPDHXFCSA-N 2 2 334.460 3.492 20 0 EGADLP Cc1oncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000372595443 157364076 /nfs/dbraw/zinc/36/40/76/157364076.db2.gz AGBVVXYLACTURJ-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1oncc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000372595443 157364079 /nfs/dbraw/zinc/36/40/79/157364079.db2.gz AGBVVXYLACTURJ-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000372595443 157364082 /nfs/dbraw/zinc/36/40/82/157364082.db2.gz AGBVVXYLACTURJ-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000372595443 157364084 /nfs/dbraw/zinc/36/40/84/157364084.db2.gz AGBVVXYLACTURJ-FQEVSTJZSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318047 162004055 /nfs/dbraw/zinc/00/40/55/162004055.db2.gz ZPGDTTCSVUFRKZ-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318047 162004058 /nfs/dbraw/zinc/00/40/58/162004058.db2.gz ZPGDTTCSVUFRKZ-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318047 162004060 /nfs/dbraw/zinc/00/40/60/162004060.db2.gz ZPGDTTCSVUFRKZ-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318047 162004062 /nfs/dbraw/zinc/00/40/62/162004062.db2.gz ZPGDTTCSVUFRKZ-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093693883 162022002 /nfs/dbraw/zinc/02/20/02/162022002.db2.gz JVCKNINIVSYMGY-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093693883 162022004 /nfs/dbraw/zinc/02/20/04/162022004.db2.gz JVCKNINIVSYMGY-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000110355178 162124337 /nfs/dbraw/zinc/12/43/37/162124337.db2.gz XDKALPDVTJLBTL-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1cccc2ccccc21 ZINC000113513920 162212735 /nfs/dbraw/zinc/21/27/35/162212735.db2.gz WDZQPOOJMGCNBA-QGZVFWFLSA-N 2 2 339.483 3.076 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1cccc2ccccc21 ZINC000113513920 162212737 /nfs/dbraw/zinc/21/27/37/162212737.db2.gz WDZQPOOJMGCNBA-QGZVFWFLSA-N 2 2 339.483 3.076 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000114475745 162234274 /nfs/dbraw/zinc/23/42/74/162234274.db2.gz OJVHQOQDOKQNPL-UHFFFAOYSA-N 2 2 346.441 3.389 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000114475745 162234277 /nfs/dbraw/zinc/23/42/77/162234277.db2.gz OJVHQOQDOKQNPL-UHFFFAOYSA-N 2 2 346.441 3.389 20 0 EGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248416133 163003307 /nfs/dbraw/zinc/00/33/07/163003307.db2.gz PAEXENDBXQTSGQ-SJORKVTESA-N 2 2 327.472 3.487 20 0 EGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000248416133 163003308 /nfs/dbraw/zinc/00/33/08/163003308.db2.gz PAEXENDBXQTSGQ-SJORKVTESA-N 2 2 327.472 3.487 20 0 EGADLP COc1cccc(N2CC[C@@H]([NH2+]CCCc3ccc(C)[nH+]c3)C2)c1 ZINC000354330415 166004783 /nfs/dbraw/zinc/00/47/83/166004783.db2.gz AGJQZCWMECGUOM-GOSISDBHSA-N 2 2 325.456 3.200 20 0 EGADLP CCc1nc2cc(C[NH2+][C@H]3C[N@H+](CC)C[C@H]3C)ccc2n1C1CC1 ZINC000338462993 163232452 /nfs/dbraw/zinc/23/24/52/163232452.db2.gz WQNVZHJBKSFKLO-KDOFPFPSSA-N 2 2 326.488 3.363 20 0 EGADLP CCc1nc2cc(C[NH2+][C@H]3C[N@@H+](CC)C[C@H]3C)ccc2n1C1CC1 ZINC000338462993 163232456 /nfs/dbraw/zinc/23/24/56/163232456.db2.gz WQNVZHJBKSFKLO-KDOFPFPSSA-N 2 2 326.488 3.363 20 0 EGADLP C[C@@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)O1 ZINC000338793766 163350702 /nfs/dbraw/zinc/35/07/02/163350702.db2.gz NXCJZNHLGCQMBZ-IAGOWNOFSA-N 2 2 331.504 3.229 20 0 EGADLP CCc1oc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1C(=O)OC ZINC000338942982 163396415 /nfs/dbraw/zinc/39/64/15/163396415.db2.gz HIGQXWXXDQQKNE-UHFFFAOYSA-N 2 2 341.411 3.227 20 0 EGADLP CCc1oc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1C(=O)OC ZINC000338945360 163397653 /nfs/dbraw/zinc/39/76/53/163397653.db2.gz CFRJDEYANJYBOK-UHFFFAOYSA-N 2 2 339.395 3.104 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCCC12CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000340173116 163494150 /nfs/dbraw/zinc/49/41/50/163494150.db2.gz OMBZREWPMVWPFE-PMACEKPBSA-N 2 2 328.500 3.108 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCCC12CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000340173116 163494151 /nfs/dbraw/zinc/49/41/51/163494151.db2.gz OMBZREWPMVWPFE-PMACEKPBSA-N 2 2 328.500 3.108 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000344160441 164117086 /nfs/dbraw/zinc/11/70/86/164117086.db2.gz DQOHPJHRFMWBMM-ZWKOTPCHSA-N 2 2 340.552 3.305 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)sc2C1 ZINC000346163708 164354691 /nfs/dbraw/zinc/35/46/91/164354691.db2.gz CCGTZIQHVQOLLP-UHFFFAOYSA-N 2 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)sc2C1 ZINC000346163708 164354692 /nfs/dbraw/zinc/35/46/92/164354692.db2.gz CCGTZIQHVQOLLP-UHFFFAOYSA-N 2 2 345.516 3.012 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180312 164357859 /nfs/dbraw/zinc/35/78/59/164357859.db2.gz PWQTWSFISDEZLD-HNAYVOBHSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180312 164357862 /nfs/dbraw/zinc/35/78/62/164357862.db2.gz PWQTWSFISDEZLD-HNAYVOBHSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180312 164357863 /nfs/dbraw/zinc/35/78/63/164357863.db2.gz PWQTWSFISDEZLD-HNAYVOBHSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180312 164357865 /nfs/dbraw/zinc/35/78/65/164357865.db2.gz PWQTWSFISDEZLD-HNAYVOBHSA-N 2 2 349.544 3.037 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000346565004 164397862 /nfs/dbraw/zinc/39/78/62/164397862.db2.gz MAJAYXZFSYJLGY-HOCLYGCPSA-N 2 2 349.450 3.194 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000346565004 164397863 /nfs/dbraw/zinc/39/78/63/164397863.db2.gz MAJAYXZFSYJLGY-HOCLYGCPSA-N 2 2 349.450 3.194 20 0 EGADLP CC[NH+](CC)CCOC1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000351934740 165155982 /nfs/dbraw/zinc/15/59/82/165155982.db2.gz CWMPXLBMAKJHAF-UHFFFAOYSA-N 2 2 348.491 3.053 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000352052567 165211398 /nfs/dbraw/zinc/21/13/98/165211398.db2.gz MIYFTJHFFRANPW-MAUKXSAKSA-N 2 2 328.460 3.216 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000352171915 165266773 /nfs/dbraw/zinc/26/67/73/165266773.db2.gz SNTVXEXMMCAHFH-GOSISDBHSA-N 2 2 346.519 3.245 20 0 EGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000352243150 165303996 /nfs/dbraw/zinc/30/39/96/165303996.db2.gz XSUCATIGDDADFC-AWEZNQCLSA-N 2 2 325.387 3.438 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352340199 165353077 /nfs/dbraw/zinc/35/30/77/165353077.db2.gz CEFRUQNJJHCVQZ-GOEBONIOSA-N 2 2 330.394 3.033 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000352340199 165353081 /nfs/dbraw/zinc/35/30/81/165353081.db2.gz CEFRUQNJJHCVQZ-GOEBONIOSA-N 2 2 330.394 3.033 20 0 EGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000352909160 165563131 /nfs/dbraw/zinc/56/31/31/165563131.db2.gz YNBLXMUPNXNGRS-WVUXNXBLSA-N 2 2 333.382 3.492 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000355209209 166135221 /nfs/dbraw/zinc/13/52/21/166135221.db2.gz ZYFLXHHBLWTXPM-QGZVFWFLSA-N 2 2 342.439 3.068 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000355209209 166135225 /nfs/dbraw/zinc/13/52/25/166135225.db2.gz ZYFLXHHBLWTXPM-QGZVFWFLSA-N 2 2 342.439 3.068 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355857966 166329875 /nfs/dbraw/zinc/32/98/75/166329875.db2.gz FVAFBVZKVBFZJK-UHFFFAOYSA-N 2 2 344.503 3.176 20 0 EGADLP COCc1cc(NCC2([NH+](C)C)CCCC2)c2cc(F)ccc2[nH+]1 ZINC000357302647 166640070 /nfs/dbraw/zinc/64/00/70/166640070.db2.gz OAAILIVRDMGRNM-UHFFFAOYSA-N 2 2 331.435 3.229 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513315 167176270 /nfs/dbraw/zinc/17/62/70/167176270.db2.gz FBOHDQLSKVYENA-CRAIPNDOSA-N 2 2 326.431 3.362 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513315 167176271 /nfs/dbraw/zinc/17/62/71/167176271.db2.gz FBOHDQLSKVYENA-CRAIPNDOSA-N 2 2 326.431 3.362 20 0 EGADLP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000359576060 167198286 /nfs/dbraw/zinc/19/82/86/167198286.db2.gz ATMULSIQLAFCAY-AWEZNQCLSA-N 2 2 339.370 3.435 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccsc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000359733116 167217382 /nfs/dbraw/zinc/21/73/82/167217382.db2.gz GDRDDXUMEYWNBQ-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccsc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000359733116 167217384 /nfs/dbraw/zinc/21/73/84/167217384.db2.gz GDRDDXUMEYWNBQ-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000360714861 167395720 /nfs/dbraw/zinc/39/57/20/167395720.db2.gz FQJYCMHIYUJKPK-AWEZNQCLSA-N 2 2 326.444 3.071 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000366345916 168108881 /nfs/dbraw/zinc/10/88/81/168108881.db2.gz KOSSELHMLRRNBG-HNNXBMFYSA-N 2 2 348.441 3.463 20 0 EGADLP COCCCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000367120786 168181136 /nfs/dbraw/zinc/18/11/36/168181136.db2.gz ILWFYPJGOZZXFI-RBUKOAKNSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000367120786 168181139 /nfs/dbraw/zinc/18/11/39/168181139.db2.gz ILWFYPJGOZZXFI-RBUKOAKNSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000367120786 168181140 /nfs/dbraw/zinc/18/11/40/168181140.db2.gz ILWFYPJGOZZXFI-RBUKOAKNSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000367120786 168181143 /nfs/dbraw/zinc/18/11/43/168181143.db2.gz ILWFYPJGOZZXFI-RBUKOAKNSA-N 2 2 348.535 3.006 20 0 EGADLP Clc1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401506 168220566 /nfs/dbraw/zinc/22/05/66/168220566.db2.gz ZPBVFLQQQQLOAU-ROUUACIJSA-N 2 2 344.890 3.301 20 0 EGADLP Clc1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cnn1Cc1ccccc1 ZINC000367401506 168220567 /nfs/dbraw/zinc/22/05/67/168220567.db2.gz ZPBVFLQQQQLOAU-ROUUACIJSA-N 2 2 344.890 3.301 20 0 EGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(OC)c(OC)c1 ZINC000367438738 168226301 /nfs/dbraw/zinc/22/63/01/168226301.db2.gz OXJVEIIYRZJWPS-MRXNPFEDSA-N 2 2 329.444 3.478 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367599509 168247302 /nfs/dbraw/zinc/24/73/02/168247302.db2.gz HVCURMAEPUHCCJ-GOSISDBHSA-N 2 2 334.508 3.122 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1OC ZINC000367614765 168249932 /nfs/dbraw/zinc/24/99/32/168249932.db2.gz IHUUDVKFXDJCKI-AWEZNQCLSA-N 2 2 343.471 3.266 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000367702089 168260435 /nfs/dbraw/zinc/26/04/35/168260435.db2.gz MBRKFCUFBJTKOD-LLVKDONJSA-N 2 2 343.324 3.447 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000367702089 168260438 /nfs/dbraw/zinc/26/04/38/168260438.db2.gz MBRKFCUFBJTKOD-LLVKDONJSA-N 2 2 343.324 3.447 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180125634 265396155 /nfs/dbraw/zinc/39/61/55/265396155.db2.gz DAJHUYFPMLIAHH-KLAILNCOSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180125634 265396156 /nfs/dbraw/zinc/39/61/56/265396156.db2.gz DAJHUYFPMLIAHH-KLAILNCOSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180517794 265404983 /nfs/dbraw/zinc/40/49/83/265404983.db2.gz OWZLWMFVBRMYLL-OFLPRAFFSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180517794 265404987 /nfs/dbraw/zinc/40/49/87/265404987.db2.gz OWZLWMFVBRMYLL-OFLPRAFFSA-N 2 2 339.524 3.286 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194382443 266112583 /nfs/dbraw/zinc/11/25/83/266112583.db2.gz QQMOQDQYUDFQIQ-OAHLLOKOSA-N 2 2 327.925 3.003 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000194382443 266112585 /nfs/dbraw/zinc/11/25/85/266112585.db2.gz QQMOQDQYUDFQIQ-OAHLLOKOSA-N 2 2 327.925 3.003 20 0 EGADLP COCc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)o1 ZINC000269628272 266330260 /nfs/dbraw/zinc/33/02/60/266330260.db2.gz SRYQENLQQIDZAC-HNNXBMFYSA-N 2 2 329.444 3.136 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000272272318 266806944 /nfs/dbraw/zinc/80/69/44/266806944.db2.gz NVYAXRCWCKNNHM-TZMCWYRMSA-N 2 2 345.830 3.337 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)[C@@]12CCCO2 ZINC000274173505 267193657 /nfs/dbraw/zinc/19/36/57/267193657.db2.gz HYQYEJCRUXYSJJ-QLIIJSOBSA-N 2 2 341.455 3.250 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C)c2)CC1 ZINC000274252384 267207073 /nfs/dbraw/zinc/20/70/73/267207073.db2.gz ZGQXKISJFAYIOI-UHFFFAOYSA-N 2 2 338.879 3.156 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000278384154 268000570 /nfs/dbraw/zinc/00/05/70/268000570.db2.gz FJUDEXYQOPXQQJ-QAPCUYQASA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000278384154 268000574 /nfs/dbraw/zinc/00/05/74/268000574.db2.gz FJUDEXYQOPXQQJ-QAPCUYQASA-N 2 2 345.487 3.019 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000278498238 268026394 /nfs/dbraw/zinc/02/63/94/268026394.db2.gz NFMIUUNMQWWCBE-HNNXBMFYSA-N 2 2 344.459 3.438 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278527548 268032040 /nfs/dbraw/zinc/03/20/40/268032040.db2.gz SZKGCAVTDPLNTN-RDJZCZTQSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278527548 268032042 /nfs/dbraw/zinc/03/20/42/268032042.db2.gz SZKGCAVTDPLNTN-RDJZCZTQSA-N 2 2 345.487 3.019 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752714 274355862 /nfs/dbraw/zinc/35/58/62/274355862.db2.gz HCQPPZWKUOMWHL-XCAIRMDXSA-N 2 2 327.394 3.223 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752714 274355865 /nfs/dbraw/zinc/35/58/65/274355865.db2.gz HCQPPZWKUOMWHL-XCAIRMDXSA-N 2 2 327.394 3.223 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110819972 275181449 /nfs/dbraw/zinc/18/14/49/275181449.db2.gz IJKDHVHPSDONFG-HNNXBMFYSA-N 2 2 325.294 3.236 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379846 275255826 /nfs/dbraw/zinc/25/58/26/275255826.db2.gz CISXUAAHAXXOMD-WIYYLYMNSA-N 2 2 339.483 3.262 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccccn2)CCCO1 ZINC000278379846 275255828 /nfs/dbraw/zinc/25/58/28/275255828.db2.gz CISXUAAHAXXOMD-WIYYLYMNSA-N 2 2 339.483 3.262 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000278640945 275261560 /nfs/dbraw/zinc/26/15/60/275261560.db2.gz OZUVPEDXHMGBCA-AWEZNQCLSA-N 2 2 344.411 3.374 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278703757 275266987 /nfs/dbraw/zinc/26/69/87/275266987.db2.gz NZQCOIATSPLNFR-UHFFFAOYSA-N 2 2 348.878 3.383 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000279665293 275348071 /nfs/dbraw/zinc/34/80/71/275348071.db2.gz GWGQPVXLJPDVCQ-LBPRGKRZSA-N 2 2 326.282 3.369 20 0 EGADLP Brc1cc2c(s1)CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000340356578 275368443 /nfs/dbraw/zinc/36/84/43/275368443.db2.gz PZCXNBRYRUHIGG-GXSJLCMTSA-N 2 2 338.274 3.299 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]c2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000280258423 275428261 /nfs/dbraw/zinc/42/82/61/275428261.db2.gz MGZIILLDHABVIF-RVKKMQEKSA-N 2 2 334.460 3.017 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC(C(F)F)CC3)[nH+]c2)C1 ZINC000282383713 275627999 /nfs/dbraw/zinc/62/79/99/275627999.db2.gz QULQSYMTESYBFI-XUJLQICISA-N 2 2 338.446 3.458 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)CCO1 ZINC000285336248 275865889 /nfs/dbraw/zinc/86/58/89/275865889.db2.gz UNFLTXZBPBOTCH-YJLNNSPDSA-N 2 2 327.428 3.013 20 0 EGADLP OCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000285505642 275883486 /nfs/dbraw/zinc/88/34/86/275883486.db2.gz JLGZEOHZDIPKAU-OAHLLOKOSA-N 2 2 328.243 3.293 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000343544896 276057103 /nfs/dbraw/zinc/05/71/03/276057103.db2.gz YDYLIUMCHOZRMK-FXAWDEMLSA-N 2 2 343.515 3.109 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000343544896 276057104 /nfs/dbraw/zinc/05/71/04/276057104.db2.gz YDYLIUMCHOZRMK-FXAWDEMLSA-N 2 2 343.515 3.109 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000286982594 276066539 /nfs/dbraw/zinc/06/65/39/276066539.db2.gz CBDRGHVUGGVLCH-OAHLLOKOSA-N 2 2 326.444 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286982594 276066542 /nfs/dbraw/zinc/06/65/42/276066542.db2.gz CBDRGHVUGGVLCH-OAHLLOKOSA-N 2 2 326.444 3.340 20 0 EGADLP CCc1nc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(C)[nH+]1 ZINC000287612602 276139552 /nfs/dbraw/zinc/13/95/52/276139552.db2.gz GEVAWKOJSWHFKY-UHFFFAOYSA-N 2 2 325.460 3.264 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000287792499 276157612 /nfs/dbraw/zinc/15/76/12/276157612.db2.gz SWGUXHKCKLHHHC-RISCZKNCSA-N 2 2 327.350 3.195 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000289046623 276283451 /nfs/dbraw/zinc/28/34/51/276283451.db2.gz BAWQVMYVPIPOPU-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCOCC1 ZINC000289297865 276318115 /nfs/dbraw/zinc/31/81/15/276318115.db2.gz RTIQYPZJCBXWAW-BEFAXECRSA-N 2 2 327.472 3.103 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289463947 276343118 /nfs/dbraw/zinc/34/31/18/276343118.db2.gz IIOUNESBZOCIRB-SUMWQHHRSA-N 2 2 336.842 3.293 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289463947 276343119 /nfs/dbraw/zinc/34/31/19/276343119.db2.gz IIOUNESBZOCIRB-SUMWQHHRSA-N 2 2 336.842 3.293 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000289543525 276355586 /nfs/dbraw/zinc/35/55/86/276355586.db2.gz FURYVAKTMXYVII-IBGZPJMESA-N 2 2 338.455 3.219 20 0 EGADLP COc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1OC ZINC000289664458 276374347 /nfs/dbraw/zinc/37/43/47/276374347.db2.gz CZWRQPSFINWXSM-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1OC ZINC000289664458 276374348 /nfs/dbraw/zinc/37/43/48/276374348.db2.gz CZWRQPSFINWXSM-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1OC ZINC000289664458 276374349 /nfs/dbraw/zinc/37/43/49/276374349.db2.gz CZWRQPSFINWXSM-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1OC ZINC000289664458 276374351 /nfs/dbraw/zinc/37/43/51/276374351.db2.gz CZWRQPSFINWXSM-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP CC(C)n1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000289741074 276386444 /nfs/dbraw/zinc/38/64/44/276386444.db2.gz NIAMQFRAEYRZNX-KRWDZBQOSA-N 2 2 341.503 3.381 20 0 EGADLP CC(C)n1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)nn1 ZINC000289741074 276386445 /nfs/dbraw/zinc/38/64/45/276386445.db2.gz NIAMQFRAEYRZNX-KRWDZBQOSA-N 2 2 341.503 3.381 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Br)nc1 ZINC000289777322 276392388 /nfs/dbraw/zinc/39/23/88/276392388.db2.gz NTZCCZXQFOJLKK-GFCCVEGCSA-N 2 2 345.244 3.385 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000290237299 276469118 /nfs/dbraw/zinc/46/91/18/276469118.db2.gz GJUFOQLBJPGSID-KRWDZBQOSA-N 2 2 333.476 3.312 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000290355160 276484366 /nfs/dbraw/zinc/48/43/66/276484366.db2.gz JBRNLLFNENXSRE-RHSMWYFYSA-N 2 2 326.444 3.023 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000178656590 277219553 /nfs/dbraw/zinc/21/95/53/277219553.db2.gz AWEYOTHNEKGBGO-KRWDZBQOSA-N 2 2 338.879 3.254 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000348039695 277478498 /nfs/dbraw/zinc/47/84/98/277478498.db2.gz JJQPDALBBWZEIL-IBGZPJMESA-N 2 2 348.556 3.496 20 0 EGADLP CCC1CCC([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000344823150 278652186 /nfs/dbraw/zinc/65/21/86/278652186.db2.gz HORAKQLLRKVFAR-RLFPARDHSA-N 2 2 344.503 3.173 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801675 280190311 /nfs/dbraw/zinc/19/03/11/280190311.db2.gz FDQNATQRKSWRFM-XJKSGUPXSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801675 280190312 /nfs/dbraw/zinc/19/03/12/280190312.db2.gz FDQNATQRKSWRFM-XJKSGUPXSA-N 2 2 330.303 3.280 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000359999358 294663818 /nfs/dbraw/zinc/66/38/18/294663818.db2.gz OKXYGRNUGUPFBL-OAGGEKHMSA-N 2 2 346.437 3.341 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1Br)C[NH+]1CCCC1 ZINC000062072156 307353431 /nfs/dbraw/zinc/35/34/31/307353431.db2.gz LQQDYEHDSGLJOJ-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CC1(C)CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000068426448 307370224 /nfs/dbraw/zinc/37/02/24/307370224.db2.gz MTTWYBAPRKSRDO-UHFFFAOYSA-N 2 2 348.450 3.071 20 0 EGADLP CC1(C)CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000068426448 307370225 /nfs/dbraw/zinc/37/02/25/307370225.db2.gz MTTWYBAPRKSRDO-UHFFFAOYSA-N 2 2 348.450 3.071 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000069286867 307374462 /nfs/dbraw/zinc/37/44/62/307374462.db2.gz KOUQBQSWTRSRHQ-ZDUSSCGKSA-N 2 2 326.387 3.013 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000069286867 307374463 /nfs/dbraw/zinc/37/44/63/307374463.db2.gz KOUQBQSWTRSRHQ-ZDUSSCGKSA-N 2 2 326.387 3.013 20 0 EGADLP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c(C)[nH+]1 ZINC000121576718 307520989 /nfs/dbraw/zinc/52/09/89/307520989.db2.gz XEFBXJIYGFKESK-UHFFFAOYSA-N 2 2 341.480 3.500 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000127311072 307583043 /nfs/dbraw/zinc/58/30/43/307583043.db2.gz MPNLWTFSPPNGDI-UHFFFAOYSA-N 2 2 346.519 3.086 20 0 EGADLP CCn1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000414212903 309067034 /nfs/dbraw/zinc/06/70/34/309067034.db2.gz SZIOFEWHPGANBJ-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000414211090 309067089 /nfs/dbraw/zinc/06/70/89/309067089.db2.gz NYXYICJLEYAQEB-PWRODBHTSA-N 2 2 338.499 3.436 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000414211090 309067090 /nfs/dbraw/zinc/06/70/90/309067090.db2.gz NYXYICJLEYAQEB-PWRODBHTSA-N 2 2 338.499 3.436 20 0 EGADLP FC1(F)Oc2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2O1 ZINC000414288720 309070850 /nfs/dbraw/zinc/07/08/50/309070850.db2.gz QDCCALTWJKWVMA-UHFFFAOYSA-N 2 2 347.365 3.162 20 0 EGADLP c1c(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)onc1-c1ccccc1 ZINC000414330124 309073318 /nfs/dbraw/zinc/07/33/18/309073318.db2.gz RPDGBCWSHLRKLZ-UHFFFAOYSA-N 2 2 348.450 3.491 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887628 308076737 /nfs/dbraw/zinc/07/67/37/308076737.db2.gz YNOHLCJHTQJDQS-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887628 308076739 /nfs/dbraw/zinc/07/67/39/308076739.db2.gz YNOHLCJHTQJDQS-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887628 308076741 /nfs/dbraw/zinc/07/67/41/308076741.db2.gz YNOHLCJHTQJDQS-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887628 308076743 /nfs/dbraw/zinc/07/67/43/308076743.db2.gz YNOHLCJHTQJDQS-GOSISDBHSA-N 2 2 330.863 3.053 20 0 EGADLP CSc1ccc([C@H](CNCc2c[nH+]ccc2N(C)C)[NH+](C)C)cc1 ZINC000293244853 308112987 /nfs/dbraw/zinc/11/29/87/308112987.db2.gz BFDGXRSQBHNQLQ-IBGZPJMESA-N 2 2 344.528 3.262 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716442 308155481 /nfs/dbraw/zinc/15/54/81/308155481.db2.gz MHADAFACSCCCLF-HOCLYGCPSA-N 2 2 333.505 3.200 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716442 308155482 /nfs/dbraw/zinc/15/54/82/308155482.db2.gz MHADAFACSCCCLF-HOCLYGCPSA-N 2 2 333.505 3.200 20 0 EGADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000414494320 309084216 /nfs/dbraw/zinc/08/42/16/309084216.db2.gz JULWXBFAJFBXJB-HNNXBMFYSA-N 2 2 330.501 3.136 20 0 EGADLP CC[C@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](CC)CC ZINC000294213919 308200507 /nfs/dbraw/zinc/20/05/07/308200507.db2.gz PLOYXPFJSGZHJU-SJORKVTESA-N 2 2 328.460 3.078 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)n2c1 ZINC000295091328 308290178 /nfs/dbraw/zinc/29/01/78/308290178.db2.gz JIDMJYPCTDJYLI-OAHLLOKOSA-N 2 2 346.475 3.426 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000295177788 308299843 /nfs/dbraw/zinc/29/98/43/308299843.db2.gz VEIMALAQLTVIHW-HXUWFJFHSA-N 2 2 328.431 3.113 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000414655749 309093767 /nfs/dbraw/zinc/09/37/67/309093767.db2.gz LXMLJGMJYWHZFG-NRFANRHFSA-N 2 2 346.478 3.440 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000414655749 309093768 /nfs/dbraw/zinc/09/37/68/309093768.db2.gz LXMLJGMJYWHZFG-NRFANRHFSA-N 2 2 346.478 3.440 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000414656979 309093948 /nfs/dbraw/zinc/09/39/48/309093948.db2.gz NYTSWGBJTKFRMR-LJQANCHMSA-N 2 2 332.451 3.381 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000414656979 309093949 /nfs/dbraw/zinc/09/39/49/309093949.db2.gz NYTSWGBJTKFRMR-LJQANCHMSA-N 2 2 332.451 3.381 20 0 EGADLP CC[N@H+](Cc1cc(OC)ccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000414717257 309097262 /nfs/dbraw/zinc/09/72/62/309097262.db2.gz PMAXGZCZJXIWIU-CQSZACIVSA-N 2 2 341.293 3.422 20 0 EGADLP CC[N@@H+](Cc1cc(OC)ccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000414717257 309097263 /nfs/dbraw/zinc/09/72/63/309097263.db2.gz PMAXGZCZJXIWIU-CQSZACIVSA-N 2 2 341.293 3.422 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC([NH3+])C1 ZINC000414778926 309100512 /nfs/dbraw/zinc/10/05/12/309100512.db2.gz QVNUGHGYYAVQSZ-UHFFFAOYSA-N 2 2 331.847 3.236 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC([NH3+])C1 ZINC000414778926 309100513 /nfs/dbraw/zinc/10/05/13/309100513.db2.gz QVNUGHGYYAVQSZ-UHFFFAOYSA-N 2 2 331.847 3.236 20 0 EGADLP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1(C[NH3+])CCC1 ZINC000414788685 309101297 /nfs/dbraw/zinc/10/12/97/309101297.db2.gz NFMROMYGTXJDIZ-UHFFFAOYSA-N 2 2 349.219 3.364 20 0 EGADLP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C1(C[NH3+])CCC1 ZINC000414788685 309101298 /nfs/dbraw/zinc/10/12/98/309101298.db2.gz NFMROMYGTXJDIZ-UHFFFAOYSA-N 2 2 349.219 3.364 20 0 EGADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000414811712 309103016 /nfs/dbraw/zinc/10/30/16/309103016.db2.gz ZUZQCZWAVMDRKF-UHFFFAOYSA-N 2 2 345.281 3.073 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)sc2C1 ZINC000414814008 309103285 /nfs/dbraw/zinc/10/32/85/309103285.db2.gz VADBVKWOLOSFSU-AWEZNQCLSA-N 3 2 344.528 3.219 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)sc2C1 ZINC000414814008 309103286 /nfs/dbraw/zinc/10/32/86/309103286.db2.gz VADBVKWOLOSFSU-AWEZNQCLSA-N 3 2 344.528 3.219 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000301556801 308705129 /nfs/dbraw/zinc/70/51/29/308705129.db2.gz IXTARVXSNUVQGX-UHFFFAOYSA-N 2 2 325.456 3.092 20 0 EGADLP COC(=O)c1cc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)oc1C ZINC000414842626 309104965 /nfs/dbraw/zinc/10/49/65/309104965.db2.gz IWDMMIAFWHZIER-SFHVURJKSA-N 2 2 330.428 3.288 20 0 EGADLP Cc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c2cccc(F)c2[nH+]1 ZINC000333692092 308865950 /nfs/dbraw/zinc/86/59/50/308865950.db2.gz PURXFNAOILFXJU-XLIONFOSSA-N 2 2 343.446 3.405 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139789 309017952 /nfs/dbraw/zinc/01/79/52/309017952.db2.gz KTURUSVNMPSOBP-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413139789 309017953 /nfs/dbraw/zinc/01/79/53/309017953.db2.gz KTURUSVNMPSOBP-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139789 309017954 /nfs/dbraw/zinc/01/79/54/309017954.db2.gz KTURUSVNMPSOBP-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413139789 309017955 /nfs/dbraw/zinc/01/79/55/309017955.db2.gz KTURUSVNMPSOBP-JKSUJKDBSA-N 2 2 329.492 3.142 20 0 EGADLP c1nc(N2CCC(CCC[NH+]3CCCC3)CC2)cc(NC2CC2)[nH+]1 ZINC000413195189 309020692 /nfs/dbraw/zinc/02/06/92/309020692.db2.gz CQNUJBICLJTZTL-UHFFFAOYSA-N 2 2 329.492 3.143 20 0 EGADLP c1nc(NC2CC2)cc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000413195189 309020693 /nfs/dbraw/zinc/02/06/93/309020693.db2.gz CQNUJBICLJTZTL-UHFFFAOYSA-N 2 2 329.492 3.143 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000414851087 309105448 /nfs/dbraw/zinc/10/54/48/309105448.db2.gz SYWAVFITUGMEDK-SFHVURJKSA-N 2 2 326.440 3.371 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000414850072 309105456 /nfs/dbraw/zinc/10/54/56/309105456.db2.gz SARIAZIOQOWUJN-HNAYVOBHSA-N 2 2 327.472 3.434 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)cc12 ZINC000414853885 309105587 /nfs/dbraw/zinc/10/55/87/309105587.db2.gz YLBUAJRCZGKRKW-IBGZPJMESA-N 2 2 337.471 3.190 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCCC[NH3+])cc3)[nH+]c12 ZINC000414899839 309108201 /nfs/dbraw/zinc/10/82/01/309108201.db2.gz GKVMQZPHTNEGDM-UHFFFAOYSA-N 3 2 338.455 3.050 20 0 EGADLP C[C@H](CC[NH3+])[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414901812 309108360 /nfs/dbraw/zinc/10/83/60/309108360.db2.gz XMYIFZWTHWLYIV-LLVKDONJSA-N 2 2 325.865 3.202 20 0 EGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414925999 309109717 /nfs/dbraw/zinc/10/97/17/309109717.db2.gz JNXAKZRIFUPMSU-OAHLLOKOSA-N 2 2 334.414 3.223 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414933119 309109903 /nfs/dbraw/zinc/10/99/03/309109903.db2.gz ANCNALSAWYQJQU-CABZTGNLSA-N 2 2 349.219 3.281 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)n1 ZINC000414934619 309110027 /nfs/dbraw/zinc/11/00/27/309110027.db2.gz FIASVAHCSLPNSP-YWZLYKJASA-N 2 2 335.451 3.464 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3F)s2)CCC[NH2+]1 ZINC000414946816 309110764 /nfs/dbraw/zinc/11/07/64/309110764.db2.gz TUEBVMVLIMQMGY-SFHVURJKSA-N 2 2 334.460 3.412 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000414953964 309111180 /nfs/dbraw/zinc/11/11/80/309111180.db2.gz SDGUBWUHLUSGDQ-SCLBCKFNSA-N 2 2 338.348 3.478 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414957186 309111522 /nfs/dbraw/zinc/11/15/22/309111522.db2.gz NWYIGGQXNVYIIQ-QGZVFWFLSA-N 2 2 349.482 3.081 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414960885 309111694 /nfs/dbraw/zinc/11/16/94/309111694.db2.gz ATVWRDXKYZEHMJ-INIZCTEOSA-N 2 2 345.468 3.017 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000414972815 309112307 /nfs/dbraw/zinc/11/23/07/309112307.db2.gz YMKMTVRWJMDBCP-OAHLLOKOSA-N 2 2 335.904 3.062 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(OCCOC)c1 ZINC000415063433 309117666 /nfs/dbraw/zinc/11/76/66/309117666.db2.gz HZQDOEQIJBCGQB-HXUWFJFHSA-N 2 2 328.456 3.064 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415064422 309117912 /nfs/dbraw/zinc/11/79/12/309117912.db2.gz KOFUYNRVUVIKQX-OAHLLOKOSA-N 2 2 327.266 3.065 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000415070084 309118058 /nfs/dbraw/zinc/11/80/58/309118058.db2.gz UKYJTHUWVTWXJF-APWZRJJASA-N 2 2 331.504 3.020 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000415071244 309118243 /nfs/dbraw/zinc/11/82/43/309118243.db2.gz WFMMJMDVYVMGAE-SFHVURJKSA-N 2 2 344.528 3.272 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2cccc3c2NCC3)[nH+]1 ZINC000415075478 309118480 /nfs/dbraw/zinc/11/84/80/309118480.db2.gz BOOCMRAFFCRUAN-UHFFFAOYSA-N 2 2 332.451 3.232 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@H]1C[NH3+] ZINC000415122742 309121833 /nfs/dbraw/zinc/12/18/33/309121833.db2.gz IOJWXYJVVWWKIX-RYUDHWBXSA-N 2 2 340.393 3.009 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@H]1C[NH3+] ZINC000415122742 309121834 /nfs/dbraw/zinc/12/18/34/309121834.db2.gz IOJWXYJVVWWKIX-RYUDHWBXSA-N 2 2 340.393 3.009 20 0 EGADLP NC1(C[NH2+]Cc2ccsc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000415131799 309122748 /nfs/dbraw/zinc/12/27/48/309122748.db2.gz JYHANCRTOUIMAN-UHFFFAOYSA-N 2 2 349.931 3.485 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415139563 309123403 /nfs/dbraw/zinc/12/34/03/309123403.db2.gz ZXDPDDKZNUSEKV-HOTGVXAUSA-N 2 2 345.512 3.447 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415139563 309123404 /nfs/dbraw/zinc/12/34/04/309123404.db2.gz ZXDPDDKZNUSEKV-HOTGVXAUSA-N 2 2 345.512 3.447 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000415293673 309130115 /nfs/dbraw/zinc/13/01/15/309130115.db2.gz MOXCNNRGTNVSRN-QGZVFWFLSA-N 2 2 341.459 3.224 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)c2cccc(Cl)c2F)n1C ZINC000419675476 309270929 /nfs/dbraw/zinc/27/09/29/309270929.db2.gz AFTASSPZDXVJSJ-UHFFFAOYSA-N 2 2 338.858 3.346 20 0 EGADLP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000420212911 309277271 /nfs/dbraw/zinc/27/72/71/309277271.db2.gz UKHWQEJYVKNYBL-SECBINFHSA-N 2 2 326.213 3.404 20 0 EGADLP Brc1cccc2c(N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc[nH+]c12 ZINC000420252877 309278121 /nfs/dbraw/zinc/27/81/21/309278121.db2.gz BXUPDHDUUAOLEA-NWDGAFQWSA-N 2 2 332.245 3.043 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000420266701 309278595 /nfs/dbraw/zinc/27/85/95/309278595.db2.gz DSSNXVOFGZZILK-CQSZACIVSA-N 2 2 330.428 3.041 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000420266701 309278596 /nfs/dbraw/zinc/27/85/96/309278596.db2.gz DSSNXVOFGZZILK-CQSZACIVSA-N 2 2 330.428 3.041 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC000420285137 309279350 /nfs/dbraw/zinc/27/93/50/309279350.db2.gz DVEKEJBBYSNRIE-SFHVURJKSA-N 2 2 332.488 3.066 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC000420285137 309279351 /nfs/dbraw/zinc/27/93/51/309279351.db2.gz DVEKEJBBYSNRIE-SFHVURJKSA-N 2 2 332.488 3.066 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@H]2C[NH3+])on1 ZINC000420291007 309279645 /nfs/dbraw/zinc/27/96/45/309279645.db2.gz MXULKZJHNRLWKT-HNNXBMFYSA-N 2 2 337.423 3.427 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@H]2C[NH3+])on1 ZINC000420291007 309279646 /nfs/dbraw/zinc/27/96/46/309279646.db2.gz MXULKZJHNRLWKT-HNNXBMFYSA-N 2 2 337.423 3.427 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])on1 ZINC000420291008 309279698 /nfs/dbraw/zinc/27/96/98/309279698.db2.gz MXULKZJHNRLWKT-OAHLLOKOSA-N 2 2 337.423 3.427 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@@H]2C[NH3+])on1 ZINC000420291008 309279699 /nfs/dbraw/zinc/27/96/99/309279699.db2.gz MXULKZJHNRLWKT-OAHLLOKOSA-N 2 2 337.423 3.427 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)[NH3+])c2ccccc2)cc1Br ZINC000420298821 309280143 /nfs/dbraw/zinc/28/01/43/309280143.db2.gz HXAYMVAKQMTFRY-SJKOYZFVSA-N 2 2 349.272 3.484 20 0 EGADLP CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000420316517 309281586 /nfs/dbraw/zinc/28/15/86/309281586.db2.gz SWRBTWKWXKFUJQ-CYBMUJFWSA-N 2 2 340.427 3.046 20 0 EGADLP CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000420316517 309281587 /nfs/dbraw/zinc/28/15/87/309281587.db2.gz SWRBTWKWXKFUJQ-CYBMUJFWSA-N 2 2 340.427 3.046 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420314186 309281590 /nfs/dbraw/zinc/28/15/90/309281590.db2.gz VHJFSXBMYOPEIF-UNMCSNQZSA-N 2 2 349.478 3.360 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420314186 309281591 /nfs/dbraw/zinc/28/15/91/309281591.db2.gz VHJFSXBMYOPEIF-UNMCSNQZSA-N 2 2 349.478 3.360 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420314177 309281676 /nfs/dbraw/zinc/28/16/76/309281676.db2.gz VHJFSXBMYOPEIF-IFMALSPDSA-N 2 2 349.478 3.360 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420314177 309281677 /nfs/dbraw/zinc/28/16/77/309281677.db2.gz VHJFSXBMYOPEIF-IFMALSPDSA-N 2 2 349.478 3.360 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000420346007 309283419 /nfs/dbraw/zinc/28/34/19/309283419.db2.gz XAXDZIPJYUUHGB-XJKSGUPXSA-N 2 2 328.378 3.158 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000420346007 309283420 /nfs/dbraw/zinc/28/34/20/309283420.db2.gz XAXDZIPJYUUHGB-XJKSGUPXSA-N 2 2 328.378 3.158 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000420365210 309284229 /nfs/dbraw/zinc/28/42/29/309284229.db2.gz KZCRSUADSNRPQF-BFQNTYOBSA-N 2 2 348.288 3.473 20 0 EGADLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000420365054 309284297 /nfs/dbraw/zinc/28/42/97/309284297.db2.gz RSKVPCLVWACIER-VQTJNVASSA-N 2 2 343.515 3.020 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000420365937 309284390 /nfs/dbraw/zinc/28/43/90/309284390.db2.gz TVUNARZXCADVIK-HNNXBMFYSA-N 2 2 344.286 3.429 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420370159 309284555 /nfs/dbraw/zinc/28/45/55/309284555.db2.gz YPFSUHXQLFLELP-HNNXBMFYSA-N 2 2 344.286 3.429 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420389217 309285892 /nfs/dbraw/zinc/28/58/92/309285892.db2.gz HHSPQUADHDLXEY-RBUKOAKNSA-N 2 2 343.515 3.214 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420389217 309285893 /nfs/dbraw/zinc/28/58/93/309285893.db2.gz HHSPQUADHDLXEY-RBUKOAKNSA-N 2 2 343.515 3.214 20 0 EGADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000420393828 309286181 /nfs/dbraw/zinc/28/61/81/309286181.db2.gz YSSVGYSLWBERDH-IBGZPJMESA-N 2 2 345.531 3.189 20 0 EGADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000420393828 309286182 /nfs/dbraw/zinc/28/61/82/309286182.db2.gz YSSVGYSLWBERDH-IBGZPJMESA-N 2 2 345.531 3.189 20 0 EGADLP Fc1cccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420402887 309286625 /nfs/dbraw/zinc/28/66/25/309286625.db2.gz QXOIMWASFCNZPX-NVXWUHKLSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420402887 309286626 /nfs/dbraw/zinc/28/66/26/309286626.db2.gz QXOIMWASFCNZPX-NVXWUHKLSA-N 2 2 329.419 3.445 20 0 EGADLP C[NH2+]CCCN[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420406050 309286634 /nfs/dbraw/zinc/28/66/34/309286634.db2.gz NJFYNUFPQZAWOM-IAGOWNOFSA-N 2 2 327.875 3.202 20 0 EGADLP C[NH2+]CCCN[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420406050 309286635 /nfs/dbraw/zinc/28/66/35/309286635.db2.gz NJFYNUFPQZAWOM-IAGOWNOFSA-N 2 2 327.875 3.202 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000420407381 309286877 /nfs/dbraw/zinc/28/68/77/309286877.db2.gz VCVCPIMQQRHVFH-YOEHRIQHSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000420407381 309286878 /nfs/dbraw/zinc/28/68/78/309286878.db2.gz VCVCPIMQQRHVFH-YOEHRIQHSA-N 2 2 329.419 3.445 20 0 EGADLP Cc1cc(CNC(=O)NCCCCC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000420789700 309294870 /nfs/dbraw/zinc/29/48/70/309294870.db2.gz MMTSZNJUPRYGNV-UHFFFAOYSA-N 2 2 332.492 3.154 20 0 EGADLP C[N@H+](CCOc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420898167 309299744 /nfs/dbraw/zinc/29/97/44/309299744.db2.gz DXQIQMKZSAEWRL-UHFFFAOYSA-N 2 2 340.467 3.030 20 0 EGADLP C[N@@H+](CCOc1ccccc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420898167 309299745 /nfs/dbraw/zinc/29/97/45/309299745.db2.gz DXQIQMKZSAEWRL-UHFFFAOYSA-N 2 2 340.467 3.030 20 0 EGADLP C[C@@H]1Cc2[nH+]cn(Cc3cccc(C[NH+]4CCOCC4)c3)c2C[C@H]1C ZINC000420918924 309301011 /nfs/dbraw/zinc/30/10/11/309301011.db2.gz ANKPTLXEXJMLPR-IAGOWNOFSA-N 2 2 339.483 3.134 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccncc1Cl ZINC000421819210 309341291 /nfs/dbraw/zinc/34/12/91/309341291.db2.gz FTXJSNIJYZLUSZ-OAHLLOKOSA-N 2 2 345.874 3.418 20 0 EGADLP COC1([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCCC1 ZINC000421821828 309341677 /nfs/dbraw/zinc/34/16/77/309341677.db2.gz UKCFTRGTKSRRPL-QGZVFWFLSA-N 2 2 327.472 3.411 20 0 EGADLP CC[C@@H]1CCCC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028486 309351865 /nfs/dbraw/zinc/35/18/65/309351865.db2.gz XYBXTKKGCGVKLJ-UYAOXDASSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@@H]1CCCC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028486 309351866 /nfs/dbraw/zinc/35/18/66/309351866.db2.gz XYBXTKKGCGVKLJ-UYAOXDASSA-N 2 2 349.563 3.221 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1OC ZINC000422700156 309363771 /nfs/dbraw/zinc/36/37/71/309363771.db2.gz BOKHWCYKBGMHDO-MSOLQXFVSA-N 2 2 326.440 3.287 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@H]3[NH3+])ccn2)cc1 ZINC000422708577 309364011 /nfs/dbraw/zinc/36/40/11/309364011.db2.gz JHNTVFHBRSIITD-MSOLQXFVSA-N 2 2 327.428 3.242 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)ccn2)cc1 ZINC000422719183 309364885 /nfs/dbraw/zinc/36/48/85/309364885.db2.gz XUKUFZIPYBFYET-DNVCBOLYSA-N 2 2 341.455 3.360 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000422727923 309365228 /nfs/dbraw/zinc/36/52/28/309365228.db2.gz DTUXKKXYQNJZKB-WTOYTKOKSA-N 2 2 339.527 3.400 20 0 EGADLP COc1ccccc1[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000422740226 309366043 /nfs/dbraw/zinc/36/60/43/309366043.db2.gz BEGSHGZNADHRLU-LMMKCTJWSA-N 2 2 333.520 3.198 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422747694 309366463 /nfs/dbraw/zinc/36/64/63/309366463.db2.gz ZJYSYWPZAOJDPX-UZLBHIALSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422747694 309366464 /nfs/dbraw/zinc/36/64/64/309366464.db2.gz ZJYSYWPZAOJDPX-UZLBHIALSA-N 3 2 338.499 3.164 20 0 EGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000422811867 309369804 /nfs/dbraw/zinc/36/98/04/309369804.db2.gz PTAWWMZQAZLCDY-XLIONFOSSA-N 3 2 326.488 3.332 20 0 EGADLP CC(C)[C@@H]([NH3+])CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000422847250 309371849 /nfs/dbraw/zinc/37/18/49/309371849.db2.gz HVRDTPRRMLDQSY-INIZCTEOSA-N 2 2 342.487 3.184 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422848385 309371922 /nfs/dbraw/zinc/37/19/22/309371922.db2.gz JWTWQLFLDRTCND-AEFFLSMTSA-N 2 2 332.488 3.255 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422877121 309373431 /nfs/dbraw/zinc/37/34/31/309373431.db2.gz RBFCTTRTIPXARL-NEWSRXKRSA-N 2 2 332.488 3.173 20 0 EGADLP CC(C)(C)c1nnc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422924062 309376464 /nfs/dbraw/zinc/37/64/64/309376464.db2.gz ALLIRTITPCZIHU-HUUCEWRRSA-N 2 2 330.501 3.419 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])O[C@@H](C)C2 ZINC000422960061 309378236 /nfs/dbraw/zinc/37/82/36/309378236.db2.gz AOIRWEWMLFTYOQ-QMTMVMCOSA-N 2 2 340.467 3.067 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996521 309379983 /nfs/dbraw/zinc/37/99/83/309379983.db2.gz MJZPKDCKLMCVRO-NRSPTQNISA-N 3 2 329.532 3.437 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996521 309379984 /nfs/dbraw/zinc/37/99/84/309379984.db2.gz MJZPKDCKLMCVRO-NRSPTQNISA-N 3 2 329.532 3.437 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(Cl)s1 ZINC000422999675 309380199 /nfs/dbraw/zinc/38/01/99/309380199.db2.gz YECORSQYLUYXTL-TUAOUCFPSA-N 2 2 335.300 3.302 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423030846 309381915 /nfs/dbraw/zinc/38/19/15/309381915.db2.gz WNLWHEUYGXEBED-KCPJHIHWSA-N 2 2 334.357 3.176 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)[NH+](C)C ZINC000423060881 309383695 /nfs/dbraw/zinc/38/36/95/309383695.db2.gz PPJRFWONZOGUAI-KUDFPVQQSA-N 3 2 340.515 3.499 20 0 EGADLP Fc1ccc(C2CC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423095352 309385691 /nfs/dbraw/zinc/38/56/91/309385691.db2.gz DZYBVAIJTWZGLW-GNNGFNCTSA-N 2 2 338.854 3.082 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000423110951 309386552 /nfs/dbraw/zinc/38/65/52/309386552.db2.gz POOBLOQVDVRWSF-WZRBSPASSA-N 2 2 345.256 3.006 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423111385 309386568 /nfs/dbraw/zinc/38/65/68/309386568.db2.gz WLIWNPIEOBTNAA-LLGZUXRYSA-N 2 2 326.843 3.082 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423137332 309387833 /nfs/dbraw/zinc/38/78/33/309387833.db2.gz WCRCEYFVTUJQGH-VUCTXSBTSA-N 2 2 332.394 3.337 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423190710 309389661 /nfs/dbraw/zinc/38/96/61/309389661.db2.gz NYGQQVNVBCSCMQ-IINYFYTJSA-N 2 2 329.669 3.431 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000423203832 309390216 /nfs/dbraw/zinc/39/02/16/309390216.db2.gz AEFZIHQHZBWEHW-SCZZXKLOSA-N 2 2 337.183 3.480 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H](C)[NH3+] ZINC000423298037 309394453 /nfs/dbraw/zinc/39/44/53/309394453.db2.gz MWHRPRDKOOTOPA-ACJLOTCBSA-N 2 2 328.460 3.321 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423305990 309394601 /nfs/dbraw/zinc/39/46/01/309394601.db2.gz CZGMCTKXBDFKKP-RDJZCZTQSA-N 2 2 338.467 3.424 20 0 EGADLP CC[N@H+](CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000423306945 309394664 /nfs/dbraw/zinc/39/46/64/309394664.db2.gz FVFKGJIJIKCAOO-INIZCTEOSA-N 2 2 325.456 3.353 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000423306945 309394665 /nfs/dbraw/zinc/39/46/65/309394665.db2.gz FVFKGJIJIKCAOO-INIZCTEOSA-N 2 2 325.456 3.353 20 0 EGADLP Clc1ccccc1[C@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423304148 309394671 /nfs/dbraw/zinc/39/46/71/309394671.db2.gz NGCMFGLNBBYDCP-LJQANCHMSA-N 2 2 344.842 3.010 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423310936 309394785 /nfs/dbraw/zinc/39/47/85/309394785.db2.gz SSCOZNMDJDCYGI-CQSZACIVSA-N 2 2 336.439 3.185 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330161 309395492 /nfs/dbraw/zinc/39/54/92/309395492.db2.gz TYWYXRARCLBHQJ-DOIPELPJSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330161 309395493 /nfs/dbraw/zinc/39/54/93/309395493.db2.gz TYWYXRARCLBHQJ-DOIPELPJSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330164 309395500 /nfs/dbraw/zinc/39/55/00/309395500.db2.gz TYWYXRARCLBHQJ-XRXFAXGQSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423330164 309395501 /nfs/dbraw/zinc/39/55/01/309395501.db2.gz TYWYXRARCLBHQJ-XRXFAXGQSA-N 3 2 327.516 3.004 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393332 309398298 /nfs/dbraw/zinc/39/82/98/309398298.db2.gz QZJCXERMRBSQRH-LPHOPBHVSA-N 3 2 333.520 3.056 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc(Br)c1 ZINC000423410411 309399071 /nfs/dbraw/zinc/39/90/71/309399071.db2.gz AFCDXTSYMJCQRQ-HOTGVXAUSA-N 2 2 341.293 3.258 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423414035 309399198 /nfs/dbraw/zinc/39/91/98/309399198.db2.gz LZGQMASOZAOZBX-SFTDATJTSA-N 2 2 340.467 3.143 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000423422835 309399775 /nfs/dbraw/zinc/39/97/75/309399775.db2.gz ZEAUWMOWSLPUBN-XHDPSFHLSA-N 2 2 345.256 3.007 20 0 EGADLP Cc1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cccc(F)c2)c1 ZINC000423492079 309402867 /nfs/dbraw/zinc/40/28/67/309402867.db2.gz LNFXMIFTFZPMAT-WOJBJXKFSA-N 2 2 328.431 3.192 20 0 EGADLP CC[C@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCC[NH2+]1 ZINC000423838734 309415828 /nfs/dbraw/zinc/41/58/28/309415828.db2.gz HJUCYKWDLSJZRN-HXUWFJFHSA-N 2 2 336.439 3.073 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000427852173 309537081 /nfs/dbraw/zinc/53/70/81/309537081.db2.gz DZRUDXOJCVPYLO-XJKSGUPXSA-N 2 2 339.418 3.182 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430549160 309610505 /nfs/dbraw/zinc/61/05/05/309610505.db2.gz MXANBZWWVVYNAP-HXUWFJFHSA-N 2 2 343.515 3.060 20 0 EGADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000430622955 309613246 /nfs/dbraw/zinc/61/32/46/309613246.db2.gz GIYZTAZOSGESSQ-GOSISDBHSA-N 2 2 339.439 3.382 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000431025220 309623711 /nfs/dbraw/zinc/62/37/11/309623711.db2.gz RRIRXRWGZCZGHD-UHFFFAOYSA-N 2 2 349.413 3.034 20 0 EGADLP Cc1cccn2c(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c[nH+]c12 ZINC000435388557 309731348 /nfs/dbraw/zinc/73/13/48/309731348.db2.gz GKKIPBSVHCBSIR-IBGZPJMESA-N 2 2 349.482 3.182 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(F)cc2)n1 ZINC000449013822 310028978 /nfs/dbraw/zinc/02/89/78/310028978.db2.gz FLHACSQFAUQRJB-HNNXBMFYSA-N 2 2 339.418 3.329 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(F)cc2)n1 ZINC000449013822 310028979 /nfs/dbraw/zinc/02/89/79/310028979.db2.gz FLHACSQFAUQRJB-HNNXBMFYSA-N 2 2 339.418 3.329 20 0 EGADLP CCn1nnc(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000449031897 310031028 /nfs/dbraw/zinc/03/10/28/310031028.db2.gz XTZBHNMHUAWOSO-VQIMIIECSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000449031897 310031029 /nfs/dbraw/zinc/03/10/29/310031029.db2.gz XTZBHNMHUAWOSO-VQIMIIECSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449031897 310031030 /nfs/dbraw/zinc/03/10/30/310031030.db2.gz XTZBHNMHUAWOSO-VQIMIIECSA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449031897 310031031 /nfs/dbraw/zinc/03/10/31/310031031.db2.gz XTZBHNMHUAWOSO-VQIMIIECSA-N 2 2 341.503 3.091 20 0 EGADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n(C2CCCC2)n1 ZINC000449092536 310036396 /nfs/dbraw/zinc/03/63/96/310036396.db2.gz UHVRDYFTJXXVFP-UHFFFAOYSA-N 2 2 339.487 3.147 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCC1 ZINC000449101277 310037132 /nfs/dbraw/zinc/03/71/32/310037132.db2.gz UTSUEQMADNOUQE-LJQANCHMSA-N 2 2 332.488 3.066 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2cccc3ccoc32)[N@H+](Cc2ccccc2)C1 ZINC000449213569 310045076 /nfs/dbraw/zinc/04/50/76/310045076.db2.gz WVLLXMAGYXWHCE-PMACEKPBSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2cccc3ccoc32)[N@@H+](Cc2ccccc2)C1 ZINC000449213569 310045077 /nfs/dbraw/zinc/04/50/77/310045077.db2.gz WVLLXMAGYXWHCE-PMACEKPBSA-N 2 2 336.435 3.158 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449222527 310045853 /nfs/dbraw/zinc/04/58/53/310045853.db2.gz IEKOXOOSUMNYBY-CQSZACIVSA-N 2 2 349.475 3.150 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000449439105 310062237 /nfs/dbraw/zinc/06/22/37/310062237.db2.gz SBFXNOKQOPDQQA-PVUWLOKVSA-N 2 2 342.405 3.344 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000449439105 310062238 /nfs/dbraw/zinc/06/22/38/310062238.db2.gz SBFXNOKQOPDQQA-PVUWLOKVSA-N 2 2 342.405 3.344 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000449646242 310077251 /nfs/dbraw/zinc/07/72/51/310077251.db2.gz MUKKNJMFERXRTF-DLBZAZTESA-N 2 2 337.467 3.279 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000449653649 310077874 /nfs/dbraw/zinc/07/78/74/310077874.db2.gz COFNPBIQOSERSP-CEXWTWQISA-N 2 2 342.487 3.306 20 0 EGADLP CC(C)[NH+]1CCC(N(C)c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000450236578 310110308 /nfs/dbraw/zinc/11/03/08/310110308.db2.gz CZGKIJLVDGRRDU-UHFFFAOYSA-N 2 2 327.476 3.005 20 0 EGADLP C[C@@H]1CN(c2nc3cccc(F)c3s2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450421363 310121575 /nfs/dbraw/zinc/12/15/75/310121575.db2.gz SLABCLNXWDIAMX-CYBMUJFWSA-N 2 2 348.491 3.040 20 0 EGADLP C[C@@H]1CN(c2nc3cccc(F)c3s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450421363 310121576 /nfs/dbraw/zinc/12/15/76/310121576.db2.gz SLABCLNXWDIAMX-CYBMUJFWSA-N 2 2 348.491 3.040 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450461927 310124036 /nfs/dbraw/zinc/12/40/36/310124036.db2.gz XYXJXYCJRCMHCP-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450461927 310124037 /nfs/dbraw/zinc/12/40/37/310124037.db2.gz XYXJXYCJRCMHCP-AWEZNQCLSA-N 2 2 338.879 3.290 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450600385 310132464 /nfs/dbraw/zinc/13/24/64/310132464.db2.gz VRMQIVUWOPPDIH-GFCCVEGCSA-N 2 2 337.826 3.286 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450600385 310132465 /nfs/dbraw/zinc/13/24/65/310132465.db2.gz VRMQIVUWOPPDIH-GFCCVEGCSA-N 2 2 337.826 3.286 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)sc1Br ZINC000453274366 310268604 /nfs/dbraw/zinc/26/86/04/310268604.db2.gz XIHBGIUCZVJDPH-QJPTWQEYSA-N 2 2 344.322 3.176 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)sc1Br ZINC000453274366 310268605 /nfs/dbraw/zinc/26/86/05/310268605.db2.gz XIHBGIUCZVJDPH-QJPTWQEYSA-N 2 2 344.322 3.176 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000453107855 310258497 /nfs/dbraw/zinc/25/84/97/310258497.db2.gz MRAFNQZQTUXQPU-RLLQIKCJSA-N 2 2 326.488 3.333 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000453107855 310258498 /nfs/dbraw/zinc/25/84/98/310258498.db2.gz MRAFNQZQTUXQPU-RLLQIKCJSA-N 2 2 326.488 3.333 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250339 310266570 /nfs/dbraw/zinc/26/65/70/310266570.db2.gz HFOILWGLXUGDDH-HOCLYGCPSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250339 310266571 /nfs/dbraw/zinc/26/65/71/310266571.db2.gz HFOILWGLXUGDDH-HOCLYGCPSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264408 310267844 /nfs/dbraw/zinc/26/78/44/310267844.db2.gz MWKJMSSVDRDXJY-DOTOQJQBSA-N 2 2 340.895 3.236 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264408 310267845 /nfs/dbraw/zinc/26/78/45/310267845.db2.gz MWKJMSSVDRDXJY-DOTOQJQBSA-N 2 2 340.895 3.236 20 0 EGADLP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@]4(CCSC4)C3)CC2)nc1 ZINC000453357638 310272756 /nfs/dbraw/zinc/27/27/56/310272756.db2.gz LFVOXUQDLPZZRD-IBGZPJMESA-N 2 2 331.529 3.265 20 0 EGADLP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@]4(CCSC4)C3)CC2)nc1 ZINC000453357638 310272757 /nfs/dbraw/zinc/27/27/57/310272757.db2.gz LFVOXUQDLPZZRD-IBGZPJMESA-N 2 2 331.529 3.265 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c[nH+]1 ZINC000454319841 310303297 /nfs/dbraw/zinc/30/32/97/310303297.db2.gz IKTVISMDGHKBDD-UHFFFAOYSA-N 2 2 332.492 3.010 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000454337673 310304363 /nfs/dbraw/zinc/30/43/63/310304363.db2.gz YFHJCJVOGFRTEP-HZPDHXFCSA-N 2 2 346.519 3.256 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454481331 310312061 /nfs/dbraw/zinc/31/20/61/310312061.db2.gz FCCMHZYZYQZUDZ-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454481331 310312062 /nfs/dbraw/zinc/31/20/62/310312062.db2.gz FCCMHZYZYQZUDZ-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H](C)c2[nH+]ccn2CC)C1 ZINC000454482507 310312146 /nfs/dbraw/zinc/31/21/46/310312146.db2.gz JGQXVKAHOLOOQH-JKSUJKDBSA-N 2 2 349.523 3.164 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)c2[nH+]ccn2CC)C1 ZINC000454482507 310312147 /nfs/dbraw/zinc/31/21/47/310312147.db2.gz JGQXVKAHOLOOQH-JKSUJKDBSA-N 2 2 349.523 3.164 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454758763 310327849 /nfs/dbraw/zinc/32/78/49/310327849.db2.gz KXEWIMUPBJIHMT-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454758763 310327850 /nfs/dbraw/zinc/32/78/50/310327850.db2.gz KXEWIMUPBJIHMT-QGZVFWFLSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(C)[nH+]1 ZINC000455528608 310365186 /nfs/dbraw/zinc/36/51/86/310365186.db2.gz QTHHBQAYQIMOOS-CYBMUJFWSA-N 2 2 330.476 3.345 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000457614785 310463266 /nfs/dbraw/zinc/46/32/66/310463266.db2.gz MGIFXGNISOUGSK-SJORKVTESA-N 2 2 349.523 3.164 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000482175486 310927829 /nfs/dbraw/zinc/92/78/29/310927829.db2.gz ZVQOVFRCZIECNI-UHFFFAOYSA-N 2 2 338.879 3.337 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000488451533 311066593 /nfs/dbraw/zinc/06/65/93/311066593.db2.gz STKQVSBPTZZEFU-QUCCMNQESA-N 2 2 347.572 3.318 20 0 EGADLP O=C(/C=C\c1ccc2ccccc2n1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491882869 311195091 /nfs/dbraw/zinc/19/50/91/311195091.db2.gz KGZZXFGWFZZNMZ-FPLPWBNLSA-N 2 2 341.374 3.467 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)NC(=O)OC(C)(C)C ZINC000492328502 311238784 /nfs/dbraw/zinc/23/87/84/311238784.db2.gz MGYHXCNDDVPNAV-GJZGRUSLSA-N 2 2 344.459 3.436 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)/C=C\c2[nH]cc[nH+]2)CC1)CC(C)C ZINC000493114795 311328958 /nfs/dbraw/zinc/32/89/58/311328958.db2.gz HOFRHDHOGSGNKK-WAYWQWQTSA-N 2 2 332.492 3.030 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)/C=C\c2[nH]cc[nH+]2)CC1)CC(C)C ZINC000493114795 311328960 /nfs/dbraw/zinc/32/89/60/311328960.db2.gz HOFRHDHOGSGNKK-WAYWQWQTSA-N 2 2 332.492 3.030 20 0 EGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493890452 311443135 /nfs/dbraw/zinc/44/31/35/311443135.db2.gz DQOWMIMZZPZJSA-MTQWCTHYSA-N 2 2 328.500 3.097 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CC2 ZINC000494422207 311477007 /nfs/dbraw/zinc/47/70/07/311477007.db2.gz BMSHONAJMNICBT-QGZVFWFLSA-N 2 2 343.434 3.327 20 0 EGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494428438 311477429 /nfs/dbraw/zinc/47/74/29/311477429.db2.gz IFAKPBPKVJIGAK-GFCCVEGCSA-N 2 2 326.227 3.303 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)s1 ZINC000494834470 311515989 /nfs/dbraw/zinc/51/59/89/311515989.db2.gz FISGYXPTKQTNAR-VHSXEESVSA-N 2 2 326.263 3.373 20 0 EGADLP C[C@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCCOC1 ZINC000507472685 312073628 /nfs/dbraw/zinc/07/36/28/312073628.db2.gz RRDQVCVVKWJHOQ-ZWKOTPCHSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@@H]1CCCOC1 ZINC000507472685 312073630 /nfs/dbraw/zinc/07/36/30/312073630.db2.gz RRDQVCVVKWJHOQ-ZWKOTPCHSA-N 2 2 338.536 3.205 20 0 EGADLP Cc1cc(F)ccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509578610 312120678 /nfs/dbraw/zinc/12/06/78/312120678.db2.gz IIQGOWXGHKCKMK-UHFFFAOYSA-N 2 2 341.474 3.436 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190461 /nfs/dbraw/zinc/19/04/61/312190461.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190463 /nfs/dbraw/zinc/19/04/63/312190463.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190465 /nfs/dbraw/zinc/19/04/65/312190465.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512625249 312190466 /nfs/dbraw/zinc/19/04/66/312190466.db2.gz MMQHPPWQKMKLLG-NJDAHSKKSA-N 3 2 329.532 3.217 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000513377540 312208537 /nfs/dbraw/zinc/20/85/37/312208537.db2.gz MIJOFQVQTATWNQ-RTBURBONSA-N 2 2 334.529 3.043 20 0 EGADLP CC(C)Oc1cccc(C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000517214021 312368387 /nfs/dbraw/zinc/36/83/87/312368387.db2.gz ISCNBYPZQDCTOX-QGZVFWFLSA-N 2 2 332.488 3.159 20 0 EGADLP CC(C)Oc1cccc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000517214021 312368390 /nfs/dbraw/zinc/36/83/90/312368390.db2.gz ISCNBYPZQDCTOX-QGZVFWFLSA-N 2 2 332.488 3.159 20 0 EGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C/C(C)=C\c2ccccc2)nc[nH+]1 ZINC000517546202 312383277 /nfs/dbraw/zinc/38/32/77/312383277.db2.gz WZVZOWYLTRKDJB-MUMAZLPKSA-N 2 2 337.471 3.180 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000517677498 312387853 /nfs/dbraw/zinc/38/78/53/312387853.db2.gz KZTADSAOEAHJIS-PMACEKPBSA-N 2 2 349.482 3.481 20 0 EGADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000518195197 312407597 /nfs/dbraw/zinc/40/75/97/312407597.db2.gz VNGQPGZPHFFKFD-RISCZKNCSA-N 2 2 331.803 3.464 20 0 EGADLP CC(C)(C)CC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000524435606 312658413 /nfs/dbraw/zinc/65/84/13/312658413.db2.gz CAMWNPQVUJCWGF-UHFFFAOYSA-N 2 2 345.531 3.135 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)CCC2 ZINC000525169353 312701233 /nfs/dbraw/zinc/70/12/33/312701233.db2.gz BZEFOQZYQXZIKE-GOSISDBHSA-N 2 2 333.439 3.316 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@@H+]3CCc4nc(C(C)(C)C)ncc4C3)n2c1 ZINC000529639088 313376489 /nfs/dbraw/zinc/37/64/89/313376489.db2.gz CEKDPRKEIQZKEU-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP Cc1ccc2[nH+]cc(C[N@H+]3CCc4nc(C(C)(C)C)ncc4C3)n2c1 ZINC000529639088 313376493 /nfs/dbraw/zinc/37/64/93/313376493.db2.gz CEKDPRKEIQZKEU-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP c1cn(CCCNc2ccc(-c3ccc(OC4CC4)cc3)c[nH+]2)c[nH+]1 ZINC000530247726 313505461 /nfs/dbraw/zinc/50/54/61/313505461.db2.gz AQWBEDCOAGKIDD-UHFFFAOYSA-N 2 2 334.423 3.410 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534326121 313972666 /nfs/dbraw/zinc/97/26/66/313972666.db2.gz SZJHFWIYIZFLRQ-IAGOWNOFSA-N 2 2 332.492 3.142 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)s1 ZINC000535575087 314053160 /nfs/dbraw/zinc/05/31/60/314053160.db2.gz MVYNXTFLXZUFMI-UHFFFAOYSA-N 2 2 345.468 3.315 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067102 314093072 /nfs/dbraw/zinc/09/30/72/314093072.db2.gz MEFOXVRPZIWAGQ-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067102 314093075 /nfs/dbraw/zinc/09/30/75/314093075.db2.gz MEFOXVRPZIWAGQ-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000536368175 314108557 /nfs/dbraw/zinc/10/85/57/314108557.db2.gz CAVTYSRCOHOSCE-UHFFFAOYSA-N 2 2 342.418 3.044 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000536618712 314131128 /nfs/dbraw/zinc/13/11/28/314131128.db2.gz RQPQQPOFTYSHSD-UHFFFAOYSA-N 2 2 332.492 3.096 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000536618712 314131131 /nfs/dbraw/zinc/13/11/31/314131131.db2.gz RQPQQPOFTYSHSD-UHFFFAOYSA-N 2 2 332.492 3.096 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O[C@@H](C)C2 ZINC000536659803 314136893 /nfs/dbraw/zinc/13/68/93/314136893.db2.gz ZJOIDDIBJFNCFK-QFBILLFUSA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O[C@@H](C)C2 ZINC000536659803 314136895 /nfs/dbraw/zinc/13/68/95/314136895.db2.gz ZJOIDDIBJFNCFK-QFBILLFUSA-N 2 2 344.499 3.469 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000536859871 314150487 /nfs/dbraw/zinc/15/04/87/314150487.db2.gz VTZOYFPYGCLGCI-LRDDRELGSA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)ccc2Br)[C@@H](C)C1 ZINC000536859871 314150489 /nfs/dbraw/zinc/15/04/89/314150489.db2.gz VTZOYFPYGCLGCI-LRDDRELGSA-N 2 2 341.293 3.278 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000537629636 314198529 /nfs/dbraw/zinc/19/85/29/314198529.db2.gz RJERFTJKARZCEL-QGZVFWFLSA-N 2 2 336.443 3.068 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000537629636 314198532 /nfs/dbraw/zinc/19/85/32/314198532.db2.gz RJERFTJKARZCEL-QGZVFWFLSA-N 2 2 336.443 3.068 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000538192821 314231843 /nfs/dbraw/zinc/23/18/43/314231843.db2.gz GPAKRBYKFPZDLI-INIZCTEOSA-N 2 2 330.394 3.203 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH+](CC)CC)o1 ZINC000538429628 314246658 /nfs/dbraw/zinc/24/66/58/314246658.db2.gz XVRCDVAEACUJCJ-RDJZCZTQSA-N 2 2 336.476 3.447 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000539059651 314293039 /nfs/dbraw/zinc/29/30/39/314293039.db2.gz ORFZETSHHYFXDP-PBFPGSCMSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000539059651 314293041 /nfs/dbraw/zinc/29/30/41/314293041.db2.gz ORFZETSHHYFXDP-PBFPGSCMSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000539059654 314293076 /nfs/dbraw/zinc/29/30/76/314293076.db2.gz ORFZETSHHYFXDP-XNJGSVPQSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000539059654 314293078 /nfs/dbraw/zinc/29/30/78/314293078.db2.gz ORFZETSHHYFXDP-XNJGSVPQSA-N 2 2 337.305 3.452 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C(C)(C)C)c1 ZINC000539336953 314307329 /nfs/dbraw/zinc/30/73/29/314307329.db2.gz LSRRHXBJODZBNV-ZULIPRJHSA-N 2 2 348.531 3.142 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000547467292 314905931 /nfs/dbraw/zinc/90/59/31/314905931.db2.gz HSGSEMRTVXYGOU-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000548635916 315029122 /nfs/dbraw/zinc/02/91/22/315029122.db2.gz WGJSYIRAPXROPS-ZIAGYGMSSA-N 2 2 346.862 3.167 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000548751810 315043261 /nfs/dbraw/zinc/04/32/61/315043261.db2.gz RWJOSCGITNGKIO-UHFFFAOYSA-N 2 2 343.402 3.084 20 0 EGADLP c1cnn(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000548933794 315064300 /nfs/dbraw/zinc/06/43/00/315064300.db2.gz ZNVPVXRCOKBWPB-FCHUYYIVSA-N 2 2 346.478 3.141 20 0 EGADLP c1cnn(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000548933794 315064302 /nfs/dbraw/zinc/06/43/02/315064302.db2.gz ZNVPVXRCOKBWPB-FCHUYYIVSA-N 2 2 346.478 3.141 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549780912 315104026 /nfs/dbraw/zinc/10/40/26/315104026.db2.gz XYTGUJIEYWOLTI-IAISJRAMSA-N 2 2 349.316 3.379 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000549780912 315104028 /nfs/dbraw/zinc/10/40/28/315104028.db2.gz XYTGUJIEYWOLTI-IAISJRAMSA-N 2 2 349.316 3.379 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000550860263 315136433 /nfs/dbraw/zinc/13/64/33/315136433.db2.gz HSDAJSBCMOPAFI-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000550860263 315136436 /nfs/dbraw/zinc/13/64/36/315136436.db2.gz HSDAJSBCMOPAFI-XHDPSFHLSA-N 2 2 329.257 3.408 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)c(C)c1OC ZINC000552049932 315192651 /nfs/dbraw/zinc/19/26/51/315192651.db2.gz JRESQSZWYBAFLB-JKSUJKDBSA-N 2 2 334.504 3.265 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)c(C)c1OC ZINC000552049932 315192652 /nfs/dbraw/zinc/19/26/52/315192652.db2.gz JRESQSZWYBAFLB-JKSUJKDBSA-N 2 2 334.504 3.265 20 0 EGADLP COc1ccc2c(c1)C[C@H](Nc1ccc(Cn3cc[nH+]c3)c[nH+]1)CC2 ZINC000552195108 315205177 /nfs/dbraw/zinc/20/51/77/315205177.db2.gz TUJZJMAKUALMAQ-GOSISDBHSA-N 2 2 334.423 3.304 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536735 315224108 /nfs/dbraw/zinc/22/41/08/315224108.db2.gz RSBJKNWFALTLGY-LRDDRELGSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536735 315224112 /nfs/dbraw/zinc/22/41/12/315224112.db2.gz RSBJKNWFALTLGY-LRDDRELGSA-N 2 2 328.378 3.157 20 0 EGADLP C([NH2+][C@@H]1CCC12CCOCC2)C1([NH+]2CCSCC2)CCCCC1 ZINC000554561129 315333016 /nfs/dbraw/zinc/33/30/16/315333016.db2.gz XECMIPTXMUVWPR-QGZVFWFLSA-N 2 2 338.561 3.287 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000554718251 315345065 /nfs/dbraw/zinc/34/50/65/315345065.db2.gz QPEZCKRWTRFYMR-SMDDNHRTSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000554718251 315345066 /nfs/dbraw/zinc/34/50/66/315345066.db2.gz QPEZCKRWTRFYMR-SMDDNHRTSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000554795422 315349241 /nfs/dbraw/zinc/34/92/41/315349241.db2.gz DTQGQMRVKOGCFH-KBXCAEBGSA-N 2 2 337.423 3.086 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563429335 316020521 /nfs/dbraw/zinc/02/05/21/316020521.db2.gz WCTQHDMTAPFTQH-KRWDZBQOSA-N 2 2 349.544 3.487 20 0 EGADLP c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000563429335 316020526 /nfs/dbraw/zinc/02/05/26/316020526.db2.gz WCTQHDMTAPFTQH-KRWDZBQOSA-N 2 2 349.544 3.487 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000564092257 316112914 /nfs/dbraw/zinc/11/29/14/316112914.db2.gz GEYUBGKLNXOREX-IRXDYDNUSA-N 2 2 333.520 3.352 20 0 EGADLP CC1(C)CC[C@@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000565495922 316331817 /nfs/dbraw/zinc/33/18/17/316331817.db2.gz CLOLAZMYJLVZAF-FQEVSTJZSA-N 2 2 329.532 3.363 20 0 EGADLP CCSCC[C@@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000565887513 316383624 /nfs/dbraw/zinc/38/36/24/316383624.db2.gz SVDRXKXYMCSPAQ-HZPDHXFCSA-N 2 2 335.517 3.135 20 0 EGADLP CC(C)Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000567707367 316660807 /nfs/dbraw/zinc/66/08/07/316660807.db2.gz RERYXJVOMIUXRC-IAGOWNOFSA-N 2 2 346.437 3.391 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)ccn1 ZINC000571737413 317239397 /nfs/dbraw/zinc/23/93/97/317239397.db2.gz JBDBVNFMNCCMCX-INIZCTEOSA-N 2 2 336.439 3.228 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000572304155 317319110 /nfs/dbraw/zinc/31/91/10/317319110.db2.gz GZBVOPKHSFIMKB-IRXDYDNUSA-N 3 2 340.515 3.496 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356428 455937320 /nfs/dbraw/zinc/93/73/20/455937320.db2.gz VOFJESAPZRLIQU-LRDDRELGSA-N 2 2 331.287 3.300 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356428 455937324 /nfs/dbraw/zinc/93/73/24/455937324.db2.gz VOFJESAPZRLIQU-LRDDRELGSA-N 2 2 331.287 3.300 20 0 EGADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000262390262 456032123 /nfs/dbraw/zinc/03/21/23/456032123.db2.gz ZSTVJHBFUXLFJU-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Br)CC[C@H]21 ZINC000227343809 456115094 /nfs/dbraw/zinc/11/50/94/456115094.db2.gz HLVHCEMPCWXQCV-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Br)CC[C@H]21 ZINC000227343809 456115100 /nfs/dbraw/zinc/11/51/00/456115100.db2.gz HLVHCEMPCWXQCV-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3sccc3Br)CC[C@H]21 ZINC000227343809 456115106 /nfs/dbraw/zinc/11/51/06/456115106.db2.gz HLVHCEMPCWXQCV-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3sccc3Br)CC[C@H]21 ZINC000227343809 456115114 /nfs/dbraw/zinc/11/51/14/456115114.db2.gz HLVHCEMPCWXQCV-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171943021 323262483 /nfs/dbraw/zinc/26/24/83/323262483.db2.gz KXJYKLCBQXSXIG-OAHLLOKOSA-N 2 2 326.444 3.110 20 0 EGADLP Cc1c(Cl)c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nc2ccccc12 ZINC000575192301 324435679 /nfs/dbraw/zinc/43/56/79/324435679.db2.gz DOLFRAWADPLJMH-UHFFFAOYSA-N 2 2 341.846 3.242 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000312377682 456591948 /nfs/dbraw/zinc/59/19/48/456591948.db2.gz MQAPYTRGPCCCCQ-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000576749783 324674395 /nfs/dbraw/zinc/67/43/95/324674395.db2.gz XCDQEZBHFGFKHJ-SJORKVTESA-N 2 2 348.450 3.030 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000576861438 324695459 /nfs/dbraw/zinc/69/54/59/324695459.db2.gz QDOUPUUDLDKRLB-BEFAXECRSA-N 2 2 329.488 3.293 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000578439045 324969686 /nfs/dbraw/zinc/96/96/86/324969686.db2.gz VGJDSXDJFSLTSV-XLIONFOSSA-N 2 2 338.499 3.005 20 0 EGADLP C[NH+](C)[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000579254784 325085177 /nfs/dbraw/zinc/08/51/77/325085177.db2.gz VZQFYZYCWVNRAT-INIZCTEOSA-N 2 2 332.835 3.114 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C3CCC4(CCCO4)CC3)CC2)nc1 ZINC000579422710 325106376 /nfs/dbraw/zinc/10/63/76/325106376.db2.gz CLGKUYKDFMCAFP-UHFFFAOYSA-N 2 2 329.488 3.127 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080303 325201271 /nfs/dbraw/zinc/20/12/71/325201271.db2.gz CBLMQMRGTWVYKQ-HUUCEWRRSA-N 2 2 331.847 3.345 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080303 325201275 /nfs/dbraw/zinc/20/12/75/325201275.db2.gz CBLMQMRGTWVYKQ-HUUCEWRRSA-N 2 2 331.847 3.345 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000580613748 325273553 /nfs/dbraw/zinc/27/35/53/325273553.db2.gz KEUSAWHCVSBDFU-MRXNPFEDSA-N 2 2 345.878 3.445 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429863 325360875 /nfs/dbraw/zinc/36/08/75/325360875.db2.gz MNKDOQPFMGLRMH-LIRRHRJNSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429863 325360877 /nfs/dbraw/zinc/36/08/77/325360877.db2.gz MNKDOQPFMGLRMH-LIRRHRJNSA-N 2 2 344.434 3.321 20 0 EGADLP [NH3+][C@H]1C[C@H](NCc2[nH+]ccn2CCc2ccccc2)c2ccccc21 ZINC000581661134 325380162 /nfs/dbraw/zinc/38/01/62/325380162.db2.gz OMNGEUWGSWXMPT-PMACEKPBSA-N 2 2 332.451 3.360 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000581924313 325398996 /nfs/dbraw/zinc/39/89/96/325398996.db2.gz ZEOKNUYTKDXNRX-ROUUACIJSA-N 2 2 335.455 3.422 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1CC[NH3+] ZINC000404391874 457541415 /nfs/dbraw/zinc/54/14/15/457541415.db2.gz YLJHGMGKEMHHQL-IAQYHMDHSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1CC[NH3+] ZINC000404391874 457541418 /nfs/dbraw/zinc/54/14/18/457541418.db2.gz YLJHGMGKEMHHQL-IAQYHMDHSA-N 2 2 344.286 3.381 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000180728118 455235198 /nfs/dbraw/zinc/23/51/98/455235198.db2.gz FBRJKNDSBQNLSH-UHFFFAOYSA-N 2 2 348.491 3.309 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586302 458420353 /nfs/dbraw/zinc/42/03/53/458420353.db2.gz JGQIHDSAAVHTQO-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586302 458420356 /nfs/dbraw/zinc/42/03/56/458420356.db2.gz JGQIHDSAAVHTQO-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586302 458420360 /nfs/dbraw/zinc/42/03/60/458420360.db2.gz JGQIHDSAAVHTQO-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(O)c3Br)C2)C1 ZINC000459586302 458420364 /nfs/dbraw/zinc/42/03/64/458420364.db2.gz JGQIHDSAAVHTQO-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1F ZINC000183256744 455262525 /nfs/dbraw/zinc/26/25/25/455262525.db2.gz MYBFHYPRTQHYDV-SFHVURJKSA-N 2 2 339.418 3.294 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1OC ZINC000173311566 455262833 /nfs/dbraw/zinc/26/28/33/455262833.db2.gz SYCLCICJDPPXIQ-CQSZACIVSA-N 2 2 325.412 3.245 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112062 455289120 /nfs/dbraw/zinc/28/91/20/455289120.db2.gz DELZQMLDNXQAPK-IAGOWNOFSA-N 2 2 342.487 3.033 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112062 455289126 /nfs/dbraw/zinc/28/91/26/455289126.db2.gz DELZQMLDNXQAPK-IAGOWNOFSA-N 2 2 342.487 3.033 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181308032 455316164 /nfs/dbraw/zinc/31/61/64/455316164.db2.gz KNFFNORHQSKLHR-UHIISALHSA-N 2 2 332.414 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181308032 455316167 /nfs/dbraw/zinc/31/61/67/455316167.db2.gz KNFFNORHQSKLHR-UHIISALHSA-N 2 2 332.414 3.196 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000245641292 455347148 /nfs/dbraw/zinc/34/71/48/455347148.db2.gz HUVMNGUDNUUAIA-GHMZBOCLSA-N 2 2 332.311 3.288 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ncc(Br)s2)C1 ZINC000245641292 455347151 /nfs/dbraw/zinc/34/71/51/455347151.db2.gz HUVMNGUDNUUAIA-GHMZBOCLSA-N 2 2 332.311 3.288 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000245685873 455355221 /nfs/dbraw/zinc/35/52/21/455355221.db2.gz ANEHFWHCZSNUCV-KGLIPLIRSA-N 2 2 325.294 3.436 20 0 EGADLP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000245685873 455355222 /nfs/dbraw/zinc/35/52/22/455355222.db2.gz ANEHFWHCZSNUCV-KGLIPLIRSA-N 2 2 325.294 3.436 20 0 EGADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000053203962 453864541 /nfs/dbraw/zinc/86/45/41/453864541.db2.gz CHCXCJKAVMEXGE-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000053203962 453864546 /nfs/dbraw/zinc/86/45/46/453864546.db2.gz CHCXCJKAVMEXGE-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570422 453890229 /nfs/dbraw/zinc/89/02/29/453890229.db2.gz RZUDCRFBEUGKEY-MRXNPFEDSA-N 2 2 328.456 3.265 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570422 453890233 /nfs/dbraw/zinc/89/02/33/453890233.db2.gz RZUDCRFBEUGKEY-MRXNPFEDSA-N 2 2 328.456 3.265 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570422 453890236 /nfs/dbraw/zinc/89/02/36/453890236.db2.gz RZUDCRFBEUGKEY-MRXNPFEDSA-N 2 2 328.456 3.265 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000081570422 453890239 /nfs/dbraw/zinc/89/02/39/453890239.db2.gz RZUDCRFBEUGKEY-MRXNPFEDSA-N 2 2 328.456 3.265 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861273 453933202 /nfs/dbraw/zinc/93/32/02/453933202.db2.gz INYXECZYQPRECX-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861273 453933204 /nfs/dbraw/zinc/93/32/04/453933204.db2.gz INYXECZYQPRECX-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861273 453933205 /nfs/dbraw/zinc/93/32/05/453933205.db2.gz INYXECZYQPRECX-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861273 453933206 /nfs/dbraw/zinc/93/32/06/453933206.db2.gz INYXECZYQPRECX-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCS[C@H](C(C)C)C3)c2cc1C ZINC000076065996 453956464 /nfs/dbraw/zinc/95/64/64/453956464.db2.gz DIZAOSBFGOMMDF-APWZRJJASA-N 2 2 347.528 3.087 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCS[C@H](C(C)C)C3)c2cc1C ZINC000076065996 453956466 /nfs/dbraw/zinc/95/64/66/453956466.db2.gz DIZAOSBFGOMMDF-APWZRJJASA-N 2 2 347.528 3.087 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccnc(N3CCCC3)c2)n1-c1ccccc1 ZINC000084014125 453965342 /nfs/dbraw/zinc/96/53/42/453965342.db2.gz KLAWPDVCPGXHAL-UHFFFAOYSA-N 2 2 347.466 3.466 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000044559113 454106673 /nfs/dbraw/zinc/10/66/73/454106673.db2.gz JWHLQEOEBNYDEM-LBPRGKRZSA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000044559113 454106676 /nfs/dbraw/zinc/10/66/76/454106676.db2.gz JWHLQEOEBNYDEM-LBPRGKRZSA-N 2 2 330.259 3.135 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000070395542 454168914 /nfs/dbraw/zinc/16/89/14/454168914.db2.gz NCPHBFSVEVQQPJ-CYBMUJFWSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000070395542 454168916 /nfs/dbraw/zinc/16/89/16/454168916.db2.gz NCPHBFSVEVQQPJ-CYBMUJFWSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000089615099 454167390 /nfs/dbraw/zinc/16/73/90/454167390.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000089615099 454167391 /nfs/dbraw/zinc/16/73/91/454167391.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615099 454167393 /nfs/dbraw/zinc/16/73/93/454167393.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615099 454167394 /nfs/dbraw/zinc/16/73/94/454167394.db2.gz LWPYVRYFFLFCGS-GIVPXCGWSA-N 3 2 329.532 3.456 20 0 EGADLP c1cnc2cc(C[NH2+]CC3([NH+]4CCSCC4)CCCC3)ccc2n1 ZINC000634952120 460626693 /nfs/dbraw/zinc/62/66/93/460626693.db2.gz QAUQPZHRKMJCLV-UHFFFAOYSA-N 2 2 342.512 3.081 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119925963 454237242 /nfs/dbraw/zinc/23/72/42/454237242.db2.gz FCHMPZGECZSQJH-HNAYVOBHSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc[nH+]1 ZINC000119925963 454237245 /nfs/dbraw/zinc/23/72/45/454237245.db2.gz FCHMPZGECZSQJH-HNAYVOBHSA-N 2 2 338.455 3.422 20 0 EGADLP CCOc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000095967763 454242428 /nfs/dbraw/zinc/24/24/28/454242428.db2.gz ZPYIYZATDLVZPT-UHFFFAOYSA-N 2 2 343.446 3.374 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000119981945 454243616 /nfs/dbraw/zinc/24/36/16/454243616.db2.gz GETZWYDNVQLQHU-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000119981945 454243620 /nfs/dbraw/zinc/24/36/20/454243620.db2.gz GETZWYDNVQLQHU-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000090048009 454267093 /nfs/dbraw/zinc/26/70/93/454267093.db2.gz QMQISCALPJGVNT-IPYPFGDCSA-N 2 2 326.531 3.374 20 0 EGADLP CCc1cc(N2CC[C@H](C[NH+](CC)CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000078559595 454275489 /nfs/dbraw/zinc/27/54/89/454275489.db2.gz WPSGXHQZESTCNC-MRXNPFEDSA-N 2 2 339.487 3.269 20 0 EGADLP CCc1cc(N2CC[C@@H](C[NH+](CC)CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000078559596 454275539 /nfs/dbraw/zinc/27/55/39/454275539.db2.gz WPSGXHQZESTCNC-INIZCTEOSA-N 2 2 339.487 3.269 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090217867 454294165 /nfs/dbraw/zinc/29/41/65/454294165.db2.gz RMAQCQPRASHYMZ-QUCCMNQESA-N 2 2 331.504 3.087 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1c(C)noc1C ZINC000090886290 454348544 /nfs/dbraw/zinc/34/85/44/454348544.db2.gz ODUOMYUQYWLOCO-GOSISDBHSA-N 2 2 328.460 3.392 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000097236859 454428635 /nfs/dbraw/zinc/42/86/35/454428635.db2.gz NJUSHDXBEHVEIP-INIZCTEOSA-N 2 2 335.455 3.265 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000097236859 454428637 /nfs/dbraw/zinc/42/86/37/454428637.db2.gz NJUSHDXBEHVEIP-INIZCTEOSA-N 2 2 335.455 3.265 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143750 454461529 /nfs/dbraw/zinc/46/15/29/454461529.db2.gz YQCKMYURXLJVCR-YWZLYKJASA-N 2 2 344.886 3.410 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143750 454461531 /nfs/dbraw/zinc/46/15/31/454461531.db2.gz YQCKMYURXLJVCR-YWZLYKJASA-N 2 2 344.886 3.410 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000121770131 454475025 /nfs/dbraw/zinc/47/50/25/454475025.db2.gz KNTOBEIQOGYPKD-HZPDHXFCSA-N 2 2 337.533 3.122 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000092043294 454507373 /nfs/dbraw/zinc/50/73/73/454507373.db2.gz DODLRDRPPFRSNP-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000092043294 454507378 /nfs/dbraw/zinc/50/73/78/454507378.db2.gz DODLRDRPPFRSNP-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Cl)c1OC ZINC000092043294 454507383 /nfs/dbraw/zinc/50/73/83/454507383.db2.gz DODLRDRPPFRSNP-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)c1OC ZINC000092043294 454507388 /nfs/dbraw/zinc/50/73/88/454507388.db2.gz DODLRDRPPFRSNP-HOCLYGCPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072505 454515875 /nfs/dbraw/zinc/51/58/75/454515875.db2.gz RPFKDGDXDQHNLT-LBPRGKRZSA-N 2 2 337.370 3.399 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072505 454515881 /nfs/dbraw/zinc/51/58/81/454515881.db2.gz RPFKDGDXDQHNLT-LBPRGKRZSA-N 2 2 337.370 3.399 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071933 454516326 /nfs/dbraw/zinc/51/63/26/454516326.db2.gz OBAVLRDJBBWXJD-LBPRGKRZSA-N 2 2 343.381 3.458 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071933 454516329 /nfs/dbraw/zinc/51/63/29/454516329.db2.gz OBAVLRDJBBWXJD-LBPRGKRZSA-N 2 2 343.381 3.458 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322328 454564239 /nfs/dbraw/zinc/56/42/39/454564239.db2.gz VHTNHYXZQRRSSB-UHFFFAOYSA-N 2 2 337.467 3.222 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322328 454564242 /nfs/dbraw/zinc/56/42/42/454564242.db2.gz VHTNHYXZQRRSSB-UHFFFAOYSA-N 2 2 337.467 3.222 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000074397802 454574628 /nfs/dbraw/zinc/57/46/28/454574628.db2.gz UCDHLAGCPJOGJZ-HXUWFJFHSA-N 2 2 348.450 3.213 20 0 EGADLP C[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134824017 454594479 /nfs/dbraw/zinc/59/44/79/454594479.db2.gz QUZJGSCKNSUJFD-OAHLLOKOSA-N 2 2 346.434 3.462 20 0 EGADLP C[C@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[N@H+]1CCc2ccccc2C1 ZINC000134824017 454594485 /nfs/dbraw/zinc/59/44/85/454594485.db2.gz QUZJGSCKNSUJFD-OAHLLOKOSA-N 2 2 346.434 3.462 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908277 454607449 /nfs/dbraw/zinc/60/74/49/454607449.db2.gz OTJWXZLDHHOGOV-KDOFPFPSSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908277 454607455 /nfs/dbraw/zinc/60/74/55/454607455.db2.gz OTJWXZLDHHOGOV-KDOFPFPSSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908277 454607460 /nfs/dbraw/zinc/60/74/60/454607460.db2.gz OTJWXZLDHHOGOV-KDOFPFPSSA-N 2 2 347.890 3.227 20 0 EGADLP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000634990926 460643737 /nfs/dbraw/zinc/64/37/37/460643737.db2.gz IHXBYOHRSWRYEY-LEWJYISDSA-N 2 2 336.483 3.437 20 0 EGADLP Nc1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000634990926 460643739 /nfs/dbraw/zinc/64/37/39/460643739.db2.gz IHXBYOHRSWRYEY-LEWJYISDSA-N 2 2 336.483 3.437 20 0 EGADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000123234560 454618850 /nfs/dbraw/zinc/61/88/50/454618850.db2.gz YHFNJLXRXPOFGL-UHFFFAOYSA-N 2 2 337.895 3.332 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H](C)[C@@H]1OC ZINC000092768441 454628875 /nfs/dbraw/zinc/62/88/75/454628875.db2.gz DTXFWIFYNPZXFV-DBVUQKKJSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccc(F)cn1 ZINC000092766997 454629268 /nfs/dbraw/zinc/62/92/68/454629268.db2.gz DYHCCVRQLTTYTP-MRXNPFEDSA-N 2 2 335.467 3.154 20 0 EGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135257016 454653899 /nfs/dbraw/zinc/65/38/99/454653899.db2.gz STVSWAKYYYUZSS-WBVHZDCISA-N 2 2 347.434 3.321 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960906 454658880 /nfs/dbraw/zinc/65/88/80/454658880.db2.gz PODNNHMNWLTZJL-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080960906 454658883 /nfs/dbraw/zinc/65/88/83/454658883.db2.gz PODNNHMNWLTZJL-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961660 454659156 /nfs/dbraw/zinc/65/91/56/454659156.db2.gz VIPJGDOBFZDYQH-KGLIPLIRSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080961660 454659158 /nfs/dbraw/zinc/65/91/58/454659158.db2.gz VIPJGDOBFZDYQH-KGLIPLIRSA-N 2 2 344.484 3.338 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000080984764 454666091 /nfs/dbraw/zinc/66/60/91/454666091.db2.gz UQUBBIVYSYAKIZ-CYBMUJFWSA-N 2 2 332.835 3.271 20 0 EGADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Cl)c1 ZINC000080984764 454666098 /nfs/dbraw/zinc/66/60/98/454666098.db2.gz UQUBBIVYSYAKIZ-CYBMUJFWSA-N 2 2 332.835 3.271 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000093132798 454686246 /nfs/dbraw/zinc/68/62/46/454686246.db2.gz FQQRDDICGHDCMP-QGZVFWFLSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000093132798 454686250 /nfs/dbraw/zinc/68/62/50/454686250.db2.gz FQQRDDICGHDCMP-QGZVFWFLSA-N 2 2 348.560 3.013 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000135588198 454691747 /nfs/dbraw/zinc/69/17/47/454691747.db2.gz UDGXQSVQZUSCRY-QGZVFWFLSA-N 2 2 334.435 3.063 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000135588198 454691749 /nfs/dbraw/zinc/69/17/49/454691749.db2.gz UDGXQSVQZUSCRY-QGZVFWFLSA-N 2 2 334.435 3.063 20 0 EGADLP C[N@H+](CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530447 454699070 /nfs/dbraw/zinc/69/90/70/454699070.db2.gz WKXUOOAJLFVDKB-QGZVFWFLSA-N 2 2 347.507 3.301 20 0 EGADLP C[N@@H+](CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530447 454699075 /nfs/dbraw/zinc/69/90/75/454699075.db2.gz WKXUOOAJLFVDKB-QGZVFWFLSA-N 2 2 347.507 3.301 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597260 454722131 /nfs/dbraw/zinc/72/21/31/454722131.db2.gz YQDVIGHNPKPTHN-CQSZACIVSA-N 2 2 346.425 3.273 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597260 454722135 /nfs/dbraw/zinc/72/21/35/454722135.db2.gz YQDVIGHNPKPTHN-CQSZACIVSA-N 2 2 346.425 3.273 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597261 454722222 /nfs/dbraw/zinc/72/22/22/454722222.db2.gz YQDVIGHNPKPTHN-AWEZNQCLSA-N 2 2 346.425 3.273 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597261 454722225 /nfs/dbraw/zinc/72/22/25/454722225.db2.gz YQDVIGHNPKPTHN-AWEZNQCLSA-N 2 2 346.425 3.273 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093598120 454724100 /nfs/dbraw/zinc/72/41/00/454724100.db2.gz PHTPTRSJSPSYHP-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093598120 454724101 /nfs/dbraw/zinc/72/41/01/454724101.db2.gz PHTPTRSJSPSYHP-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP COCc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)ccc1OC ZINC000152798017 454726527 /nfs/dbraw/zinc/72/65/27/454726527.db2.gz OPGDUNVPFWCXPA-OAHLLOKOSA-N 2 2 343.471 3.268 20 0 EGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664006 454726658 /nfs/dbraw/zinc/72/66/58/454726658.db2.gz YBGZDNWFWPORNN-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664006 454726662 /nfs/dbraw/zinc/72/66/62/454726662.db2.gz YBGZDNWFWPORNN-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)s1 ZINC000106936576 454733056 /nfs/dbraw/zinc/73/30/56/454733056.db2.gz NXGGPEBJINRKAA-MAUKXSAKSA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000106936576 454733061 /nfs/dbraw/zinc/73/30/61/454733061.db2.gz NXGGPEBJINRKAA-MAUKXSAKSA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000106936576 454733066 /nfs/dbraw/zinc/73/30/66/454733066.db2.gz NXGGPEBJINRKAA-MAUKXSAKSA-N 2 2 347.528 3.246 20 0 EGADLP CN(C(=O)C[C@H]1C=CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124735384 454764975 /nfs/dbraw/zinc/76/49/75/454764975.db2.gz TYXHMSWRNUBONY-SXLOBPIMSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)C[C@H]1C=CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124735384 454764979 /nfs/dbraw/zinc/76/49/79/454764979.db2.gz TYXHMSWRNUBONY-SXLOBPIMSA-N 2 2 347.547 3.138 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139811120 454811462 /nfs/dbraw/zinc/81/14/62/454811462.db2.gz UXFFNSKHFAKTJC-BFYDXBDKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139811120 454811465 /nfs/dbraw/zinc/81/14/65/454811465.db2.gz UXFFNSKHFAKTJC-BFYDXBDKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139811120 454811469 /nfs/dbraw/zinc/81/14/69/454811469.db2.gz UXFFNSKHFAKTJC-BFYDXBDKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139811120 454811473 /nfs/dbraw/zinc/81/14/73/454811473.db2.gz UXFFNSKHFAKTJC-BFYDXBDKSA-N 2 2 347.528 3.152 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000153672888 454819262 /nfs/dbraw/zinc/81/92/62/454819262.db2.gz QGWZJRAEZODKKC-HNNXBMFYSA-N 2 2 344.890 3.489 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000153672888 454819267 /nfs/dbraw/zinc/81/92/67/454819267.db2.gz QGWZJRAEZODKKC-HNNXBMFYSA-N 2 2 344.890 3.489 20 0 EGADLP FC(F)(F)c1csc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000163374789 454842887 /nfs/dbraw/zinc/84/28/87/454842887.db2.gz QEULRXZLNKFFMW-NSHDSACASA-N 2 2 330.379 3.238 20 0 EGADLP FC(F)(F)c1csc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000163374789 454842890 /nfs/dbraw/zinc/84/28/90/454842890.db2.gz QEULRXZLNKFFMW-NSHDSACASA-N 2 2 330.379 3.238 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000177364606 454856538 /nfs/dbraw/zinc/85/65/38/454856538.db2.gz XYRVVGOMFUTVAP-IXDOHACOSA-N 2 2 348.491 3.041 20 0 EGADLP C[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000154180153 454871587 /nfs/dbraw/zinc/87/15/87/454871587.db2.gz VSDCOTPYZVIBOA-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)C[C@@H]1CCC[NH+](C)C1 ZINC000154180153 454871591 /nfs/dbraw/zinc/87/15/91/454871591.db2.gz VSDCOTPYZVIBOA-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2c(F)cccc2F)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000154180153 454871595 /nfs/dbraw/zinc/87/15/95/454871595.db2.gz VSDCOTPYZVIBOA-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2c(F)cccc2F)n1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000154180153 454871597 /nfs/dbraw/zinc/87/15/97/454871597.db2.gz VSDCOTPYZVIBOA-CYBMUJFWSA-N 2 2 335.398 3.393 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768131 454889171 /nfs/dbraw/zinc/88/91/71/454889171.db2.gz LSWGIOHGDJWQQV-HUUCEWRRSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150768131 454889176 /nfs/dbraw/zinc/88/91/76/454889176.db2.gz LSWGIOHGDJWQQV-HUUCEWRRSA-N 2 2 335.879 3.085 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000166940218 454917364 /nfs/dbraw/zinc/91/73/64/454917364.db2.gz MUGOEDASQJPAPE-GFCCVEGCSA-N 2 2 331.803 3.465 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717107 454923087 /nfs/dbraw/zinc/92/30/87/454923087.db2.gz OHZHCMLDRHFZLG-QZTJIDSGSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717107 454923090 /nfs/dbraw/zinc/92/30/90/454923090.db2.gz OHZHCMLDRHFZLG-QZTJIDSGSA-N 2 2 337.552 3.124 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000178231686 454944383 /nfs/dbraw/zinc/94/43/83/454944383.db2.gz QJRONAJCFIQNJH-NRFANRHFSA-N 2 2 337.467 3.332 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152358517 455107175 /nfs/dbraw/zinc/10/71/75/455107175.db2.gz UEXTZYLHZLCAMV-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152358517 455107176 /nfs/dbraw/zinc/10/71/76/455107176.db2.gz UEXTZYLHZLCAMV-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152358517 455107179 /nfs/dbraw/zinc/10/71/79/455107179.db2.gz UEXTZYLHZLCAMV-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152358517 455107181 /nfs/dbraw/zinc/10/71/81/455107181.db2.gz UEXTZYLHZLCAMV-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc(=O)oc2c1 ZINC000156402748 455114170 /nfs/dbraw/zinc/11/41/70/455114170.db2.gz VBXGJENOUUAVNR-QGZVFWFLSA-N 2 2 336.391 3.150 20 0 EGADLP Cc1ccc2c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc(=O)oc2c1 ZINC000156402748 455114175 /nfs/dbraw/zinc/11/41/75/455114175.db2.gz VBXGJENOUUAVNR-QGZVFWFLSA-N 2 2 336.391 3.150 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(Cl)c1OC ZINC000623655704 460663056 /nfs/dbraw/zinc/66/30/56/460663056.db2.gz CDGGOXISJULJNI-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(Cl)c1OC ZINC000623655704 460663061 /nfs/dbraw/zinc/66/30/61/460663061.db2.gz CDGGOXISJULJNI-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000152438959 455119730 /nfs/dbraw/zinc/11/97/30/455119730.db2.gz ATJOAFQZAWYOFD-QGZVFWFLSA-N 3 2 347.934 3.378 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000152438959 455119733 /nfs/dbraw/zinc/11/97/33/455119733.db2.gz ATJOAFQZAWYOFD-QGZVFWFLSA-N 3 2 347.934 3.378 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000157015250 455161368 /nfs/dbraw/zinc/16/13/68/455161368.db2.gz CYKWPEYYHMAYIY-KVSKMBFKSA-N 2 2 332.488 3.378 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(C)(C)C)cc1 ZINC000157015250 455161369 /nfs/dbraw/zinc/16/13/69/455161369.db2.gz CYKWPEYYHMAYIY-KVSKMBFKSA-N 2 2 332.488 3.378 20 0 EGADLP COc1cccc([C@@H](C[NH2+]Cc2ccc(O)cc2)[NH+]2CCCC2)c1 ZINC000237287462 455169016 /nfs/dbraw/zinc/16/90/16/455169016.db2.gz NCFAIYOSYJWDDB-HXUWFJFHSA-N 2 2 326.440 3.328 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000237357888 455177169 /nfs/dbraw/zinc/17/71/69/455177169.db2.gz VQSPGNJBMGQMBD-CHWSQXEVSA-N 2 2 345.830 3.350 20 0 EGADLP c1cn(CCC[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c[nH+]1 ZINC000182879513 455182637 /nfs/dbraw/zinc/18/26/37/455182637.db2.gz JRMVHCSQFPIFGW-UHFFFAOYSA-N 2 2 327.428 3.104 20 0 EGADLP C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182878196 455182926 /nfs/dbraw/zinc/18/29/26/455182926.db2.gz CEKMCRVSUOIMFA-INIZCTEOSA-N 2 2 349.438 3.277 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C[NH3+])cc3)n2)C1 ZINC000237677284 455206471 /nfs/dbraw/zinc/20/64/71/455206471.db2.gz HKDUMBATPAXOKQ-ZDUSSCGKSA-N 2 2 344.484 3.086 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C[NH3+])cc3)n2)C1 ZINC000237677284 455206474 /nfs/dbraw/zinc/20/64/74/455206474.db2.gz HKDUMBATPAXOKQ-ZDUSSCGKSA-N 2 2 344.484 3.086 20 0 EGADLP O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237689127 455207895 /nfs/dbraw/zinc/20/78/95/455207895.db2.gz OLEBJNIAUWWOJP-CYBMUJFWSA-N 2 2 345.830 3.257 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(O)cc3)CC2)c1 ZINC000237723778 455211600 /nfs/dbraw/zinc/21/16/00/455211600.db2.gz FPJSYMBMDUEFOT-UHFFFAOYSA-N 2 2 339.483 3.003 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000183350474 455281450 /nfs/dbraw/zinc/28/14/50/455281450.db2.gz DVOXONIUBFZFMI-KXBFYZLASA-N 2 2 339.487 3.081 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435316 455297746 /nfs/dbraw/zinc/29/77/46/455297746.db2.gz QJERZSPFKBBCLU-AEFFLSMTSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435316 455297752 /nfs/dbraw/zinc/29/77/52/455297752.db2.gz QJERZSPFKBBCLU-AEFFLSMTSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435316 455297754 /nfs/dbraw/zinc/29/77/54/455297754.db2.gz QJERZSPFKBBCLU-AEFFLSMTSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435316 455297757 /nfs/dbraw/zinc/29/77/57/455297757.db2.gz QJERZSPFKBBCLU-AEFFLSMTSA-N 2 2 331.504 3.240 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173634327 455320264 /nfs/dbraw/zinc/32/02/64/455320264.db2.gz DQVWDSAESJXTFB-AEFFLSMTSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173634327 455320268 /nfs/dbraw/zinc/32/02/68/455320268.db2.gz DQVWDSAESJXTFB-AEFFLSMTSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173634327 455320271 /nfs/dbraw/zinc/32/02/71/455320271.db2.gz DQVWDSAESJXTFB-AEFFLSMTSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173634327 455320276 /nfs/dbraw/zinc/32/02/76/455320276.db2.gz DQVWDSAESJXTFB-AEFFLSMTSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+](CC)CC ZINC000265429502 455323518 /nfs/dbraw/zinc/32/35/18/455323518.db2.gz BPCITWVIWUYFQV-QFBILLFUSA-N 2 2 347.503 3.139 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158851636 455333515 /nfs/dbraw/zinc/33/35/15/455333515.db2.gz WMQKQQZZZGNVCZ-USXIJHARSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158851636 455333518 /nfs/dbraw/zinc/33/35/18/455333518.db2.gz WMQKQQZZZGNVCZ-USXIJHARSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158851636 455333522 /nfs/dbraw/zinc/33/35/22/455333522.db2.gz WMQKQQZZZGNVCZ-USXIJHARSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158851636 455333526 /nfs/dbraw/zinc/33/35/26/455333526.db2.gz WMQKQQZZZGNVCZ-USXIJHARSA-N 2 2 326.444 3.214 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C12CCC2 ZINC000181461009 455337194 /nfs/dbraw/zinc/33/71/94/455337194.db2.gz CSTMRLOMYHDGOF-RTBURBONSA-N 2 2 339.483 3.411 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCC2 ZINC000181471662 455340017 /nfs/dbraw/zinc/34/00/17/455340017.db2.gz UZJWAJHLKBDAEK-RBUKOAKNSA-N 2 2 325.456 3.369 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000174209592 455370110 /nfs/dbraw/zinc/37/01/10/455370110.db2.gz NQDHSCOFULJAFH-PKOBYXMFSA-N 2 2 335.536 3.045 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000174209592 455370115 /nfs/dbraw/zinc/37/01/15/455370115.db2.gz NQDHSCOFULJAFH-PKOBYXMFSA-N 2 2 335.536 3.045 20 0 EGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093272 455434112 /nfs/dbraw/zinc/43/41/12/455434112.db2.gz PAEXENDBXQTSGQ-DLBZAZTESA-N 2 2 327.472 3.487 20 0 EGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093272 455434114 /nfs/dbraw/zinc/43/41/14/455434114.db2.gz PAEXENDBXQTSGQ-DLBZAZTESA-N 2 2 327.472 3.487 20 0 EGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093294 455434319 /nfs/dbraw/zinc/43/43/19/455434319.db2.gz PAEXENDBXQTSGQ-IAGOWNOFSA-N 2 2 327.472 3.487 20 0 EGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182093294 455434324 /nfs/dbraw/zinc/43/43/24/455434324.db2.gz PAEXENDBXQTSGQ-IAGOWNOFSA-N 2 2 327.472 3.487 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000246149521 455437007 /nfs/dbraw/zinc/43/70/07/455437007.db2.gz BWIYZXTYWKCMNP-HLIPFELVSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000246149521 455437012 /nfs/dbraw/zinc/43/70/12/455437012.db2.gz BWIYZXTYWKCMNP-HLIPFELVSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884164 455468484 /nfs/dbraw/zinc/46/84/84/455468484.db2.gz BBLQKFBTSSLUKY-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884164 455468488 /nfs/dbraw/zinc/46/84/88/455468488.db2.gz BBLQKFBTSSLUKY-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000191523683 455493767 /nfs/dbraw/zinc/49/37/67/455493767.db2.gz SWDFHWSAXYLXET-UHFFFAOYSA-N 2 2 347.434 3.283 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000191523683 455493772 /nfs/dbraw/zinc/49/37/72/455493772.db2.gz SWDFHWSAXYLXET-UHFFFAOYSA-N 2 2 347.434 3.283 20 0 EGADLP C[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000267179533 455512153 /nfs/dbraw/zinc/51/21/53/455512153.db2.gz BITUGSOSCUSLQK-KRWDZBQOSA-N 2 2 339.886 3.300 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3o2)CC1 ZINC000182455179 455517314 /nfs/dbraw/zinc/51/73/14/455517314.db2.gz DBRKSKRQLNBPNE-HNNXBMFYSA-N 2 2 331.460 3.368 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3CCCCCC3)CC2)CC1 ZINC000175959591 455520883 /nfs/dbraw/zinc/52/08/83/455520883.db2.gz WQWGRFHTTRSVTC-UHFFFAOYSA-N 2 2 335.536 3.022 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000182519288 455531561 /nfs/dbraw/zinc/53/15/61/455531561.db2.gz MTBSVSHZIWTWSN-AWEZNQCLSA-N 2 2 331.460 3.445 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246901775 455534499 /nfs/dbraw/zinc/53/44/99/455534499.db2.gz CEPOQINTSKMPHR-IEBWSBKVSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246901775 455534503 /nfs/dbraw/zinc/53/45/03/455534503.db2.gz CEPOQINTSKMPHR-IEBWSBKVSA-N 2 2 335.536 3.022 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246941113 455537714 /nfs/dbraw/zinc/53/77/14/455537714.db2.gz UEHVGVSFMXZLNZ-NSHGMRRFSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246941113 455537716 /nfs/dbraw/zinc/53/77/16/455537716.db2.gz UEHVGVSFMXZLNZ-NSHGMRRFSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941113 455537721 /nfs/dbraw/zinc/53/77/21/455537721.db2.gz UEHVGVSFMXZLNZ-NSHGMRRFSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246941113 455537723 /nfs/dbraw/zinc/53/77/23/455537723.db2.gz UEHVGVSFMXZLNZ-NSHGMRRFSA-N 2 2 349.563 3.266 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)cc1 ZINC000182618355 455553807 /nfs/dbraw/zinc/55/38/07/455553807.db2.gz FVVQSJMHTVEGCS-INIZCTEOSA-N 2 2 339.361 3.366 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)cc1 ZINC000182618355 455553809 /nfs/dbraw/zinc/55/38/09/455553809.db2.gz FVVQSJMHTVEGCS-INIZCTEOSA-N 2 2 339.361 3.366 20 0 EGADLP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c(C)[nH+]1 ZINC000192227030 455577611 /nfs/dbraw/zinc/57/76/11/455577611.db2.gz MCSSURPWIBDLQO-LJQANCHMSA-N 2 2 340.471 3.105 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)OC(C)C ZINC000185724377 455605797 /nfs/dbraw/zinc/60/57/97/455605797.db2.gz WNNAMRKBAQXQFP-QINHECLXSA-N 2 2 332.488 3.376 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)OC(C)C ZINC000185724377 455605800 /nfs/dbraw/zinc/60/58/00/455605800.db2.gz WNNAMRKBAQXQFP-QINHECLXSA-N 2 2 332.488 3.376 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]4CCC[C@H]43)c2cc1C ZINC000247494598 455611578 /nfs/dbraw/zinc/61/15/78/455611578.db2.gz LEYNFPQPZCLNSF-ZHALLVOQSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]4CCC[C@H]43)c2cc1C ZINC000247494598 455611581 /nfs/dbraw/zinc/61/15/81/455611581.db2.gz LEYNFPQPZCLNSF-ZHALLVOQSA-N 2 2 327.472 3.279 20 0 EGADLP CC[N@@H+](Cc1ccccn1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283925904 455612212 /nfs/dbraw/zinc/61/22/12/455612212.db2.gz CKLAQWYKIFTFKZ-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP CC[N@H+](Cc1ccccn1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283925904 455612217 /nfs/dbraw/zinc/61/22/17/455612217.db2.gz CKLAQWYKIFTFKZ-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccccn1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283925904 455612224 /nfs/dbraw/zinc/61/22/24/455612224.db2.gz CKLAQWYKIFTFKZ-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccccn1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283925904 455612230 /nfs/dbraw/zinc/61/22/30/455612230.db2.gz CKLAQWYKIFTFKZ-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000284147632 455641844 /nfs/dbraw/zinc/64/18/44/455641844.db2.gz ZDQXHZXDPOXTNT-LLVKDONJSA-N 2 2 332.341 3.298 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000284147632 455641846 /nfs/dbraw/zinc/64/18/46/455641846.db2.gz ZDQXHZXDPOXTNT-LLVKDONJSA-N 2 2 332.341 3.298 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774531 455645442 /nfs/dbraw/zinc/64/54/42/455645442.db2.gz WPADTXWEJGWDMR-PBFPGSCMSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774531 455645447 /nfs/dbraw/zinc/64/54/47/455645447.db2.gz WPADTXWEJGWDMR-PBFPGSCMSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247973584 455663244 /nfs/dbraw/zinc/66/32/44/455663244.db2.gz HNYGBNGLKWSOFF-NJAFHUGGSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247973584 455663248 /nfs/dbraw/zinc/66/32/48/455663248.db2.gz HNYGBNGLKWSOFF-NJAFHUGGSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247973584 455663254 /nfs/dbraw/zinc/66/32/54/455663254.db2.gz HNYGBNGLKWSOFF-NJAFHUGGSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247973584 455663260 /nfs/dbraw/zinc/66/32/60/455663260.db2.gz HNYGBNGLKWSOFF-NJAFHUGGSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000248034824 455673581 /nfs/dbraw/zinc/67/35/81/455673581.db2.gz RJJRQMKKLLXOKP-OXQOHEQNSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000248034824 455673586 /nfs/dbraw/zinc/67/35/86/455673586.db2.gz RJJRQMKKLLXOKP-OXQOHEQNSA-N 2 2 327.447 3.263 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617815 455712909 /nfs/dbraw/zinc/71/29/09/455712909.db2.gz MNTODAQWNVUSKL-GOEBONIOSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617815 455712910 /nfs/dbraw/zinc/71/29/10/455712910.db2.gz MNTODAQWNVUSKL-GOEBONIOSA-N 2 2 334.460 3.243 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@@H]3c3ccnn3C(C)C)n2c1 ZINC000284776368 455739731 /nfs/dbraw/zinc/73/97/31/455739731.db2.gz QAGZHIKTGDAWGH-LPHOPBHVSA-N 2 2 339.443 3.040 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2csc(C(C)C)n2)CC1 ZINC000186310307 455740256 /nfs/dbraw/zinc/74/02/56/455740256.db2.gz LWRUXKHFNLQACP-AWEZNQCLSA-N 2 2 325.522 3.418 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000284839870 455749890 /nfs/dbraw/zinc/74/98/90/455749890.db2.gz BYTIUYZIWIYJMJ-OALUTQOASA-N 2 2 344.499 3.218 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000284839870 455749895 /nfs/dbraw/zinc/74/98/95/455749895.db2.gz BYTIUYZIWIYJMJ-OALUTQOASA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778884 455755438 /nfs/dbraw/zinc/75/54/38/455755438.db2.gz YYIVBUPLQACKAE-GOEBONIOSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778884 455755442 /nfs/dbraw/zinc/75/54/42/455755442.db2.gz YYIVBUPLQACKAE-GOEBONIOSA-N 2 2 334.460 3.386 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)CCC2 ZINC000278151603 455770771 /nfs/dbraw/zinc/77/07/71/455770771.db2.gz ADOXAIDNAJGXDF-TZMCWYRMSA-N 2 2 331.416 3.017 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccccc3)CCC2)CC1 ZINC000271819278 455773238 /nfs/dbraw/zinc/77/32/38/455773238.db2.gz ORWPOEVISYZPFD-UHFFFAOYSA-N 2 2 344.499 3.116 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052702 455775813 /nfs/dbraw/zinc/77/58/13/455775813.db2.gz ZWMYHJASHLNBDI-QRWLVFNGSA-N 2 2 347.934 3.377 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052702 455775817 /nfs/dbraw/zinc/77/58/17/455775817.db2.gz ZWMYHJASHLNBDI-QRWLVFNGSA-N 2 2 347.934 3.377 20 0 EGADLP Cc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076020 455783608 /nfs/dbraw/zinc/78/36/08/455783608.db2.gz YMBPGGSAWTWQTN-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cnn1C ZINC000269076020 455783610 /nfs/dbraw/zinc/78/36/10/455783610.db2.gz YMBPGGSAWTWQTN-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076020 455783613 /nfs/dbraw/zinc/78/36/13/455783613.db2.gz YMBPGGSAWTWQTN-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cnn1C ZINC000269076020 455783619 /nfs/dbraw/zinc/78/36/19/455783619.db2.gz YMBPGGSAWTWQTN-CTNGQTDRSA-N 2 2 338.499 3.215 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000271844968 455783843 /nfs/dbraw/zinc/78/38/43/455783843.db2.gz UQHIRJMNPBUQGP-KRWDZBQOSA-N 2 2 346.515 3.360 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000271855508 455787728 /nfs/dbraw/zinc/78/77/28/455787728.db2.gz XKJUMBAWDGOUEF-HXUWFJFHSA-N 2 2 332.488 3.391 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@@H+]1C ZINC000186570078 455795751 /nfs/dbraw/zinc/79/57/51/455795751.db2.gz GAQWAEWRBQVARI-JQFCIGGWSA-N 2 2 343.437 3.380 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@H+]1C ZINC000186570078 455795758 /nfs/dbraw/zinc/79/57/58/455795758.db2.gz GAQWAEWRBQVARI-JQFCIGGWSA-N 2 2 343.437 3.380 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186579526 455798425 /nfs/dbraw/zinc/79/84/25/455798425.db2.gz CEINYZSENUOVTA-UYSNPLJNSA-N 2 2 336.442 3.302 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186579526 455798431 /nfs/dbraw/zinc/79/84/31/455798431.db2.gz CEINYZSENUOVTA-UYSNPLJNSA-N 2 2 336.442 3.302 20 0 EGADLP Brc1cncc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000186604493 455803882 /nfs/dbraw/zinc/80/38/82/455803882.db2.gz ZTHZEAFMXGKHDR-UHFFFAOYSA-N 2 2 343.228 3.320 20 0 EGADLP Cc1cnc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000285290772 455818347 /nfs/dbraw/zinc/81/83/47/455818347.db2.gz BDLBUBPSUBVJCH-KRWDZBQOSA-N 2 2 344.528 3.314 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(Br)c1 ZINC000285416766 455840872 /nfs/dbraw/zinc/84/08/72/455840872.db2.gz JJKGVQMRLOEUOZ-LBPRGKRZSA-N 2 2 338.249 3.080 20 0 EGADLP Cc1cccn2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[nH+]c12 ZINC000253432805 455848593 /nfs/dbraw/zinc/84/85/93/455848593.db2.gz OKIXOCONTLBRQZ-SFHVURJKSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1cccn2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[nH+]c12 ZINC000253432805 455848597 /nfs/dbraw/zinc/84/85/97/455848597.db2.gz OKIXOCONTLBRQZ-SFHVURJKSA-N 2 2 340.471 3.056 20 0 EGADLP CCC[NH+]1CCN(c2ccc([NH2+]CC3(C)COC3)cc2Cl)CC1 ZINC000285589824 455877161 /nfs/dbraw/zinc/87/71/61/455877161.db2.gz XNZJMPMPUAXDKQ-UHFFFAOYSA-N 2 2 337.895 3.320 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)c1 ZINC000261701832 455931295 /nfs/dbraw/zinc/93/12/95/455931295.db2.gz OTOFFZBCPOZQKD-AQNXPRMDSA-N 2 2 325.456 3.032 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356428 455937313 /nfs/dbraw/zinc/93/73/13/455937313.db2.gz VOFJESAPZRLIQU-LRDDRELGSA-N 2 2 331.287 3.300 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356428 455937317 /nfs/dbraw/zinc/93/73/17/455937317.db2.gz VOFJESAPZRLIQU-LRDDRELGSA-N 2 2 331.287 3.300 20 0 EGADLP COCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccco1 ZINC000272515936 455978483 /nfs/dbraw/zinc/97/84/83/455978483.db2.gz HDGZNCNMVHVHEW-AWEZNQCLSA-N 2 2 334.382 3.364 20 0 EGADLP CCC[NH2+][C@H](C)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000296584199 455980829 /nfs/dbraw/zinc/98/08/29/455980829.db2.gz XAKJPXKNVVJZFS-CQSZACIVSA-N 2 2 326.444 3.213 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3CN(c4cc[nH+]c5ccncc54)C[C@H]3C2)cc1 ZINC000280522723 455989217 /nfs/dbraw/zinc/98/92/17/455989217.db2.gz QXOPOMBBSKCHQW-HDICACEKSA-N 2 2 330.435 3.198 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3CN(c4cc[nH+]c5ccncc54)C[C@H]3C2)cc1 ZINC000280522723 455989222 /nfs/dbraw/zinc/98/92/22/455989222.db2.gz QXOPOMBBSKCHQW-HDICACEKSA-N 2 2 330.435 3.198 20 0 EGADLP C[NH2+]CCC1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000262053453 455991121 /nfs/dbraw/zinc/99/11/21/455991121.db2.gz MWVLSECMGCNDEH-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000270656697 456006681 /nfs/dbraw/zinc/00/66/81/456006681.db2.gz NKAAOEIIYIFRKP-GOSISDBHSA-N 2 2 333.863 3.291 20 0 EGADLP COC1CCC([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000286269691 456012801 /nfs/dbraw/zinc/01/28/01/456012801.db2.gz DYVVIQBEASUJHC-UHFFFAOYSA-N 2 2 345.531 3.088 20 0 EGADLP COC1CCC([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000286269691 456012806 /nfs/dbraw/zinc/01/28/06/456012806.db2.gz DYVVIQBEASUJHC-UHFFFAOYSA-N 2 2 345.531 3.088 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000204037722 456016513 /nfs/dbraw/zinc/01/65/13/456016513.db2.gz NKVSQVGWVWPNCE-INIZCTEOSA-N 2 2 339.439 3.088 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000204037722 456016519 /nfs/dbraw/zinc/01/65/19/456016519.db2.gz NKVSQVGWVWPNCE-INIZCTEOSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000301277640 456079509 /nfs/dbraw/zinc/07/95/09/456079509.db2.gz SJCCZXDTQSBKFQ-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000301277640 456079514 /nfs/dbraw/zinc/07/95/14/456079514.db2.gz SJCCZXDTQSBKFQ-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP Cc1nc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc[nH+]1 ZINC000301339434 456093968 /nfs/dbraw/zinc/09/39/68/456093968.db2.gz FACUYTSDKHHOMS-UHFFFAOYSA-N 2 2 339.830 3.313 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC3 ZINC000272905641 456107697 /nfs/dbraw/zinc/10/76/97/456107697.db2.gz KWGKBDMPPPRWME-PXIJXODZSA-N 2 2 339.483 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)CC3 ZINC000272905641 456107703 /nfs/dbraw/zinc/10/77/03/456107703.db2.gz KWGKBDMPPPRWME-PXIJXODZSA-N 2 2 339.483 3.106 20 0 EGADLP Cn1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccc(Cl)cc21 ZINC000271141440 456140034 /nfs/dbraw/zinc/14/00/34/456140034.db2.gz XOOHVAHLFDBDHT-LBPRGKRZSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccc(Cl)cc21 ZINC000271141440 456140041 /nfs/dbraw/zinc/14/00/41/456140041.db2.gz XOOHVAHLFDBDHT-LBPRGKRZSA-N 2 2 329.835 3.329 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271296736 456211490 /nfs/dbraw/zinc/21/14/90/456211490.db2.gz NTKAJHXEBNEQDD-SJORKVTESA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271296736 456211491 /nfs/dbraw/zinc/21/14/91/456211491.db2.gz NTKAJHXEBNEQDD-SJORKVTESA-N 2 2 329.444 3.244 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000297461100 456226479 /nfs/dbraw/zinc/22/64/79/456226479.db2.gz XTYIIZYGHZZBRC-DNVCBOLYSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cs1 ZINC000297461100 456226480 /nfs/dbraw/zinc/22/64/80/456226480.db2.gz XTYIIZYGHZZBRC-DNVCBOLYSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000237082304 456228651 /nfs/dbraw/zinc/22/86/51/456228651.db2.gz HEOGCEZPSCAFBO-QGZVFWFLSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000237082304 456228654 /nfs/dbraw/zinc/22/86/54/456228654.db2.gz HEOGCEZPSCAFBO-QGZVFWFLSA-N 2 2 346.906 3.385 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1cccs1)Cc1cccs1)C1CC1 ZINC000290091732 456237623 /nfs/dbraw/zinc/23/76/23/456237623.db2.gz VZKPSZYEBOZOQY-HNNXBMFYSA-N 2 2 336.526 3.267 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1cccs1)Cc1cccs1)C1CC1 ZINC000290091732 456237628 /nfs/dbraw/zinc/23/76/28/456237628.db2.gz VZKPSZYEBOZOQY-HNNXBMFYSA-N 2 2 336.526 3.267 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723181 456254906 /nfs/dbraw/zinc/25/49/06/456254906.db2.gz UZIXZJDRJXWASY-IFXJQAMLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723181 456254913 /nfs/dbraw/zinc/25/49/13/456254913.db2.gz UZIXZJDRJXWASY-IFXJQAMLSA-N 2 2 344.434 3.321 20 0 EGADLP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(Cl)c1 ZINC000352762203 456283032 /nfs/dbraw/zinc/28/30/32/456283032.db2.gz DRMOETKQVUUFQC-LBPRGKRZSA-N 2 2 339.892 3.415 20 0 EGADLP Cc1ccc([C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)N2CCCC2)o1 ZINC000352771810 456292720 /nfs/dbraw/zinc/29/27/20/456292720.db2.gz OLFWTTNFQLEPNR-INIZCTEOSA-N 2 2 348.516 3.033 20 0 EGADLP Cc1ccc([C@H](CNCc2ncc(C[NH+](C)C)s2)[NH+]2CCCC2)o1 ZINC000352771810 456292728 /nfs/dbraw/zinc/29/27/28/456292728.db2.gz OLFWTTNFQLEPNR-INIZCTEOSA-N 2 2 348.516 3.033 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+](C)CCCn3cc[nH+]c3)c(Cl)nc21 ZINC000290331678 456296270 /nfs/dbraw/zinc/29/62/70/456296270.db2.gz DVJZTNZXIWESDG-UHFFFAOYSA-N 2 2 346.866 3.384 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+](C)CCCn3cc[nH+]c3)c(Cl)nc21 ZINC000290331678 456296276 /nfs/dbraw/zinc/29/62/76/456296276.db2.gz DVJZTNZXIWESDG-UHFFFAOYSA-N 2 2 346.866 3.384 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000352778522 456298709 /nfs/dbraw/zinc/29/87/09/456298709.db2.gz HOFQQOBOTANBLW-WMZOPIPTSA-N 2 2 331.485 3.215 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1O ZINC000340220850 456321734 /nfs/dbraw/zinc/32/17/34/456321734.db2.gz FSJCOJAULWYBHJ-ZWKOTPCHSA-N 2 2 326.440 3.326 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1O ZINC000340220850 456321740 /nfs/dbraw/zinc/32/17/40/456321740.db2.gz FSJCOJAULWYBHJ-ZWKOTPCHSA-N 2 2 326.440 3.326 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807623 456326894 /nfs/dbraw/zinc/32/68/94/456326894.db2.gz WURCBPMJPIUBAI-DOTOQJQBSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807623 456326901 /nfs/dbraw/zinc/32/69/01/456326901.db2.gz WURCBPMJPIUBAI-DOTOQJQBSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807623 456326906 /nfs/dbraw/zinc/32/69/06/456326906.db2.gz WURCBPMJPIUBAI-DOTOQJQBSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000352807623 456326911 /nfs/dbraw/zinc/32/69/11/456326911.db2.gz WURCBPMJPIUBAI-DOTOQJQBSA-N 2 2 348.487 3.461 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340231253 456327204 /nfs/dbraw/zinc/32/72/04/456327204.db2.gz NNWKXAVIJBYSLH-UXPWSPDFSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340231253 456327206 /nfs/dbraw/zinc/32/72/06/456327206.db2.gz NNWKXAVIJBYSLH-UXPWSPDFSA-N 3 2 326.488 3.253 20 0 EGADLP CC(C)c1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000302503362 456350634 /nfs/dbraw/zinc/35/06/34/456350634.db2.gz PJUBZBOYJXREJS-OAHLLOKOSA-N 2 2 334.508 3.005 20 0 EGADLP CC(C)c1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000302503362 456350639 /nfs/dbraw/zinc/35/06/39/456350639.db2.gz PJUBZBOYJXREJS-OAHLLOKOSA-N 2 2 334.508 3.005 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000290519846 456351637 /nfs/dbraw/zinc/35/16/37/456351637.db2.gz PZTKFMXVHUFWOH-UHFFFAOYSA-N 2 2 331.851 3.254 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000290519846 456351645 /nfs/dbraw/zinc/35/16/45/456351645.db2.gz PZTKFMXVHUFWOH-UHFFFAOYSA-N 2 2 331.851 3.254 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000347784961 456367232 /nfs/dbraw/zinc/36/72/32/456367232.db2.gz MPDNZEFPBPFNOD-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@H]1CCN(c2ccccc2)C1=O ZINC000347784961 456367239 /nfs/dbraw/zinc/36/72/39/456367239.db2.gz MPDNZEFPBPFNOD-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP CC[NH+]1CCN(C[C@@H](C)CNc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000302648281 456368788 /nfs/dbraw/zinc/36/87/88/456368788.db2.gz JJVKFAGJXIILLK-HNNXBMFYSA-N 2 2 344.478 3.368 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2ccncc2)CC1 ZINC000302721663 456383671 /nfs/dbraw/zinc/38/36/71/456383671.db2.gz PLCJQGIOYPBKED-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP COc1ccc([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N2CCCC2)cc1 ZINC000298252841 456404857 /nfs/dbraw/zinc/40/48/57/456404857.db2.gz DPVCZDQTCASVHJ-NRFANRHFSA-N 2 2 343.515 3.049 20 0 EGADLP CC(C)[C@@H](CO)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347859339 456409414 /nfs/dbraw/zinc/40/94/14/456409414.db2.gz QZFYUBHEQNAMDM-GOSISDBHSA-N 2 2 347.528 3.224 20 0 EGADLP CC(C)[C@@H](CO)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347859339 456409417 /nfs/dbraw/zinc/40/94/17/456409417.db2.gz QZFYUBHEQNAMDM-GOSISDBHSA-N 2 2 347.528 3.224 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290778879 456427370 /nfs/dbraw/zinc/42/73/70/456427370.db2.gz SZLXMOTXQKSODY-OAHLLOKOSA-N 2 2 329.448 3.110 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290778879 456427375 /nfs/dbraw/zinc/42/73/75/456427375.db2.gz SZLXMOTXQKSODY-OAHLLOKOSA-N 2 2 329.448 3.110 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340386589 456431057 /nfs/dbraw/zinc/43/10/57/456431057.db2.gz DLMVNUSNVZGQPH-PXNSSMCTSA-N 2 2 339.483 3.275 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340386589 456431062 /nfs/dbraw/zinc/43/10/62/456431062.db2.gz DLMVNUSNVZGQPH-PXNSSMCTSA-N 2 2 339.483 3.275 20 0 EGADLP CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OC)c(OC)c1 ZINC000353031837 456449580 /nfs/dbraw/zinc/44/95/80/456449580.db2.gz DBEKXVRSCWWODP-OAHLLOKOSA-N 2 2 349.500 3.463 20 0 EGADLP Cc1cc(Cl)ccc1C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000343229082 456469005 /nfs/dbraw/zinc/46/90/05/456469005.db2.gz QMUHZHZYEGQQEY-UHFFFAOYSA-N 2 2 341.846 3.242 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(F)cn1 ZINC000348100616 456480512 /nfs/dbraw/zinc/48/05/12/456480512.db2.gz FIMOZDZKFFAOJA-CYBMUJFWSA-N 2 2 326.375 3.266 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340473100 456481179 /nfs/dbraw/zinc/48/11/79/456481179.db2.gz HZEOYBIEPNNSSL-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340473100 456481184 /nfs/dbraw/zinc/48/11/84/456481184.db2.gz HZEOYBIEPNNSSL-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000282442859 456516550 /nfs/dbraw/zinc/51/65/50/456516550.db2.gz IELHYHBFWGZXMB-ZQIUZPCESA-N 2 2 330.501 3.408 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)cc2[nH+]1 ZINC000343318516 456527995 /nfs/dbraw/zinc/52/79/95/456527995.db2.gz IDFOKTHLKUIYSF-CQSZACIVSA-N 2 2 346.500 3.281 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)cc2[nH+]1 ZINC000343318516 456527999 /nfs/dbraw/zinc/52/79/99/456527999.db2.gz IDFOKTHLKUIYSF-CQSZACIVSA-N 2 2 346.500 3.281 20 0 EGADLP O[C@H](C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)C(F)(F)F ZINC000305179974 456534376 /nfs/dbraw/zinc/53/43/76/456534376.db2.gz WAUXTJDMOIQMOE-MRXNPFEDSA-N 2 2 339.361 3.008 20 0 EGADLP CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000353179617 456543379 /nfs/dbraw/zinc/54/33/79/456543379.db2.gz JGGZPYRGMWOLEK-GOSISDBHSA-N 2 2 340.471 3.061 20 0 EGADLP CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000353179617 456543381 /nfs/dbraw/zinc/54/33/81/456543381.db2.gz JGGZPYRGMWOLEK-GOSISDBHSA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353192080 456548855 /nfs/dbraw/zinc/54/88/55/456548855.db2.gz AXIWDGZZYYTEAP-UHFFFAOYSA-N 2 2 340.471 3.097 20 0 EGADLP CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353192080 456548864 /nfs/dbraw/zinc/54/88/64/456548864.db2.gz AXIWDGZZYYTEAP-UHFFFAOYSA-N 2 2 340.471 3.097 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000348243343 456564597 /nfs/dbraw/zinc/56/45/97/456564597.db2.gz LILBSCKCKACLCV-DXBBTUNJSA-N 2 2 336.479 3.015 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000348243343 456564600 /nfs/dbraw/zinc/56/46/00/456564600.db2.gz LILBSCKCKACLCV-DXBBTUNJSA-N 2 2 336.479 3.015 20 0 EGADLP c1nnc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2ccccc2)[nH]1 ZINC000343505297 456665645 /nfs/dbraw/zinc/66/56/45/456665645.db2.gz DDPAVPUKDYONBA-GOSISDBHSA-N 2 2 327.476 3.140 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794174 456673222 /nfs/dbraw/zinc/67/32/22/456673222.db2.gz MTKQZXFDGDPJRX-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794174 456673226 /nfs/dbraw/zinc/67/32/26/456673226.db2.gz MTKQZXFDGDPJRX-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176509 456687149 /nfs/dbraw/zinc/68/71/49/456687149.db2.gz TVWHNFALVAFHJV-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176509 456687153 /nfs/dbraw/zinc/68/71/53/456687153.db2.gz TVWHNFALVAFHJV-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCOCC1 ZINC000353535991 456741402 /nfs/dbraw/zinc/74/14/02/456741402.db2.gz LTVCEJZAWLPMQF-JXFKEZNVSA-N 2 2 332.463 3.320 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348538754 456748302 /nfs/dbraw/zinc/74/83/02/456748302.db2.gz GGPDSJHYPBCPJV-GVDBMIGSSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348538754 456748305 /nfs/dbraw/zinc/74/83/05/456748305.db2.gz GGPDSJHYPBCPJV-GVDBMIGSSA-N 2 2 340.471 3.163 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343624614 456752642 /nfs/dbraw/zinc/75/26/42/456752642.db2.gz QVLHGCYZVWOCNQ-UHFFFAOYSA-N 2 2 328.403 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343624614 456752651 /nfs/dbraw/zinc/75/26/51/456752651.db2.gz QVLHGCYZVWOCNQ-UHFFFAOYSA-N 2 2 328.403 3.214 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000299669029 456759992 /nfs/dbraw/zinc/75/99/92/456759992.db2.gz OUJOQBMPKRALRW-MRXNPFEDSA-N 2 2 326.444 3.286 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000299669029 456759997 /nfs/dbraw/zinc/75/99/97/456759997.db2.gz OUJOQBMPKRALRW-MRXNPFEDSA-N 2 2 326.444 3.286 20 0 EGADLP Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301073005 456789567 /nfs/dbraw/zinc/78/95/67/456789567.db2.gz WSBNIPJEICMXGO-OAHLLOKOSA-N 2 2 346.500 3.455 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277378656 456801104 /nfs/dbraw/zinc/80/11/04/456801104.db2.gz YBVDHFZRNLMWFU-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277378656 456801111 /nfs/dbraw/zinc/80/11/11/456801111.db2.gz YBVDHFZRNLMWFU-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186908 456804526 /nfs/dbraw/zinc/80/45/26/456804526.db2.gz FXZMVWHZXQHYOL-WIYYLYMNSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000344186908 456804532 /nfs/dbraw/zinc/80/45/32/456804532.db2.gz FXZMVWHZXQHYOL-WIYYLYMNSA-N 3 2 329.532 3.348 20 0 EGADLP Cc1noc(C2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)n1 ZINC000292003291 456827171 /nfs/dbraw/zinc/82/71/71/456827171.db2.gz AYEWPVVDLQBCKW-UHFFFAOYSA-N 2 2 329.448 3.281 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752712 456841929 /nfs/dbraw/zinc/84/19/29/456841929.db2.gz HCQPPZWKUOMWHL-QTISTPMNSA-N 2 2 327.394 3.223 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752712 456841933 /nfs/dbraw/zinc/84/19/33/456841933.db2.gz HCQPPZWKUOMWHL-QTISTPMNSA-N 2 2 327.394 3.223 20 0 EGADLP Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C(C)(C)C)cn1 ZINC000341315080 456842847 /nfs/dbraw/zinc/84/28/47/456842847.db2.gz QKXNEIBVDONRNC-LJQANCHMSA-N 2 2 341.503 3.157 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC000292070856 456846163 /nfs/dbraw/zinc/84/61/63/456846163.db2.gz DPCMBIAQYDNOHO-DNVCBOLYSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)n1 ZINC000292070856 456846167 /nfs/dbraw/zinc/84/61/67/456846167.db2.gz DPCMBIAQYDNOHO-DNVCBOLYSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000292070856 456846171 /nfs/dbraw/zinc/84/61/71/456846171.db2.gz DPCMBIAQYDNOHO-DNVCBOLYSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292070856 456846173 /nfs/dbraw/zinc/84/61/73/456846173.db2.gz DPCMBIAQYDNOHO-DNVCBOLYSA-N 2 2 326.444 3.134 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513429 456849466 /nfs/dbraw/zinc/84/94/66/456849466.db2.gz RIBFTQGCROTULT-ZFWWWQNUSA-N 2 2 348.384 3.014 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513429 456849470 /nfs/dbraw/zinc/84/94/70/456849470.db2.gz RIBFTQGCROTULT-ZFWWWQNUSA-N 2 2 348.384 3.014 20 0 EGADLP Cc1cccn2c(CN(CC[NH+](C)C)Cc3cccs3)c[nH+]c12 ZINC000349287278 456931628 /nfs/dbraw/zinc/93/16/28/456931628.db2.gz UUUFQQVYRVZKRE-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccco2)n1-c1ccccc1 ZINC000349300793 456936497 /nfs/dbraw/zinc/93/64/97/456936497.db2.gz UFWXEQRBFIQNPA-UHFFFAOYSA-N 2 2 338.455 3.338 20 0 EGADLP C[C@H]1CN(Cc2cccc(Cl)c2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349333406 456945998 /nfs/dbraw/zinc/94/59/98/456945998.db2.gz QFOBJFITLKAMSF-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2cccc(Cl)c2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349333406 456946001 /nfs/dbraw/zinc/94/60/01/456946001.db2.gz QFOBJFITLKAMSF-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccccc1OC ZINC000349413123 456965578 /nfs/dbraw/zinc/96/55/78/456965578.db2.gz CRQJGIZQZSBGRK-UHFFFAOYSA-N 2 2 330.476 3.045 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccnn1-c1ccccc1OC ZINC000349413123 456965584 /nfs/dbraw/zinc/96/55/84/456965584.db2.gz CRQJGIZQZSBGRK-UHFFFAOYSA-N 2 2 330.476 3.045 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329958981 456967467 /nfs/dbraw/zinc/96/74/67/456967467.db2.gz QWOQUFPNCSVNST-NWDGAFQWSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329958981 456967470 /nfs/dbraw/zinc/96/74/70/456967470.db2.gz QWOQUFPNCSVNST-NWDGAFQWSA-N 2 2 329.429 3.462 20 0 EGADLP FC(F)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341893091 456989523 /nfs/dbraw/zinc/98/95/23/456989523.db2.gz RJLHYGBXTFXZAD-SFHVURJKSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341893091 456989527 /nfs/dbraw/zinc/98/95/27/456989527.db2.gz RJLHYGBXTFXZAD-SFHVURJKSA-N 2 2 338.442 3.255 20 0 EGADLP CN(C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661972 457032550 /nfs/dbraw/zinc/03/25/50/457032550.db2.gz HIMXFSXAKCTQTJ-VQIMIIECSA-N 2 2 335.455 3.098 20 0 EGADLP CN(C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661972 457032555 /nfs/dbraw/zinc/03/25/55/457032555.db2.gz HIMXFSXAKCTQTJ-VQIMIIECSA-N 2 2 335.455 3.098 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000356535226 457042116 /nfs/dbraw/zinc/04/21/16/457042116.db2.gz XBQIBAIRVFQBQC-IAGOWNOFSA-N 2 2 329.469 3.467 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000356535226 457042118 /nfs/dbraw/zinc/04/21/18/457042118.db2.gz XBQIBAIRVFQBQC-IAGOWNOFSA-N 2 2 329.469 3.467 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000346591363 457063861 /nfs/dbraw/zinc/06/38/61/457063861.db2.gz QDUSMHYJEUMFBI-DLBZAZTESA-N 2 2 348.450 3.069 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000346591363 457063866 /nfs/dbraw/zinc/06/38/66/457063866.db2.gz QDUSMHYJEUMFBI-DLBZAZTESA-N 2 2 348.450 3.069 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000346658768 457096833 /nfs/dbraw/zinc/09/68/33/457096833.db2.gz POFSWBCULACRRJ-OCCSQVGLSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000346658768 457096838 /nfs/dbraw/zinc/09/68/38/457096838.db2.gz POFSWBCULACRRJ-OCCSQVGLSA-N 2 2 328.378 3.299 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OCC ZINC000339432143 457114550 /nfs/dbraw/zinc/11/45/50/457114550.db2.gz DDAZMNOATACVGN-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OCC ZINC000339432143 457114552 /nfs/dbraw/zinc/11/45/52/457114552.db2.gz DDAZMNOATACVGN-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OCC ZINC000339432143 457114557 /nfs/dbraw/zinc/11/45/57/457114557.db2.gz DDAZMNOATACVGN-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OCC ZINC000339432143 457114559 /nfs/dbraw/zinc/11/45/59/457114559.db2.gz DDAZMNOATACVGN-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000339498823 457127130 /nfs/dbraw/zinc/12/71/30/457127130.db2.gz VNHUZYYUBFUTLH-UHFFFAOYSA-N 3 2 335.458 3.259 20 0 EGADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000354208409 457130877 /nfs/dbraw/zinc/13/08/77/457130877.db2.gz GTKRYMIUBCLLRC-AWEZNQCLSA-N 2 2 342.936 3.387 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209636 457133735 /nfs/dbraw/zinc/13/37/35/457133735.db2.gz QWSFJTDDCVASGJ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209636 457133739 /nfs/dbraw/zinc/13/37/39/457133739.db2.gz QWSFJTDDCVASGJ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209636 457133744 /nfs/dbraw/zinc/13/37/44/457133744.db2.gz QWSFJTDDCVASGJ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(SC)c2)C[C@H]1C ZINC000354209636 457133746 /nfs/dbraw/zinc/13/37/46/457133746.db2.gz QWSFJTDDCVASGJ-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC000339525209 457134601 /nfs/dbraw/zinc/13/46/01/457134601.db2.gz XYQPDPSGTCAZJR-UHFFFAOYSA-N 2 2 332.329 3.283 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346743187 457143102 /nfs/dbraw/zinc/14/31/02/457143102.db2.gz NZHGLVQTJQAWRE-QGZVFWFLSA-N 2 2 331.508 3.391 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346743187 457143108 /nfs/dbraw/zinc/14/31/08/457143108.db2.gz NZHGLVQTJQAWRE-QGZVFWFLSA-N 2 2 331.508 3.391 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346743187 457143110 /nfs/dbraw/zinc/14/31/10/457143110.db2.gz NZHGLVQTJQAWRE-QGZVFWFLSA-N 2 2 331.508 3.391 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346743187 457143115 /nfs/dbraw/zinc/14/31/15/457143115.db2.gz NZHGLVQTJQAWRE-QGZVFWFLSA-N 2 2 331.508 3.391 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000347114134 457236604 /nfs/dbraw/zinc/23/66/04/457236604.db2.gz SHRAHRBWLMPVEP-UHFFFAOYSA-N 2 2 340.471 3.049 20 0 EGADLP Cc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000356978350 457254759 /nfs/dbraw/zinc/25/47/59/457254759.db2.gz JSNJSDYJJWBQGH-DOTOQJQBSA-N 2 2 332.492 3.294 20 0 EGADLP Cc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000356978354 457255007 /nfs/dbraw/zinc/25/50/07/457255007.db2.gz JSNJSDYJJWBQGH-RDJZCZTQSA-N 2 2 332.492 3.294 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NCC[N@H+](C)C1CCCC1)c1cccc(F)c1 ZINC000357029242 457285727 /nfs/dbraw/zinc/28/57/27/457285727.db2.gz SHVMBOXLWIEPPZ-SFHVURJKSA-N 2 2 330.451 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NCC[N@@H+](C)C1CCCC1)c1cccc(F)c1 ZINC000357029242 457285733 /nfs/dbraw/zinc/28/57/33/457285733.db2.gz SHVMBOXLWIEPPZ-SFHVURJKSA-N 2 2 330.451 3.113 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccc(F)c1 ZINC000357036705 457290960 /nfs/dbraw/zinc/29/09/60/457290960.db2.gz JTZPPMDGHVZSJO-WBVHZDCISA-N 2 2 339.418 3.012 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000360429091 457308821 /nfs/dbraw/zinc/30/88/21/457308821.db2.gz QOXYYIKMSVXMSN-IAGOWNOFSA-N 2 2 341.503 3.267 20 0 EGADLP CCCc1nc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)no1 ZINC000357084796 457314219 /nfs/dbraw/zinc/31/42/19/457314219.db2.gz MRSSWJBCAFYNRD-UHFFFAOYSA-N 2 2 334.508 3.356 20 0 EGADLP CCCc1nc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)no1 ZINC000357084796 457314227 /nfs/dbraw/zinc/31/42/27/457314227.db2.gz MRSSWJBCAFYNRD-UHFFFAOYSA-N 2 2 334.508 3.356 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000357095467 457319397 /nfs/dbraw/zinc/31/93/97/457319397.db2.gz QEIHHLVXEVMQIL-UHFFFAOYSA-N 2 2 340.471 3.177 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360564389 457319418 /nfs/dbraw/zinc/31/94/18/457319418.db2.gz QQQFBWSGGVDHJF-YVEFUNNKSA-N 2 2 332.835 3.136 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360564389 457319419 /nfs/dbraw/zinc/31/94/19/457319419.db2.gz QQQFBWSGGVDHJF-YVEFUNNKSA-N 2 2 332.835 3.136 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000352489107 457408659 /nfs/dbraw/zinc/40/86/59/457408659.db2.gz XVPSUHGRGFSVEF-MRXNPFEDSA-N 2 2 331.485 3.425 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000352489107 457408660 /nfs/dbraw/zinc/40/86/60/457408660.db2.gz XVPSUHGRGFSVEF-MRXNPFEDSA-N 2 2 331.485 3.425 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000355738328 457411878 /nfs/dbraw/zinc/41/18/78/457411878.db2.gz RFKVFCBEKTZFIY-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000355738328 457411884 /nfs/dbraw/zinc/41/18/84/457411884.db2.gz RFKVFCBEKTZFIY-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000355738328 457411890 /nfs/dbraw/zinc/41/18/90/457411890.db2.gz RFKVFCBEKTZFIY-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000355738328 457411895 /nfs/dbraw/zinc/41/18/95/457411895.db2.gz RFKVFCBEKTZFIY-ROUUACIJSA-N 2 2 331.504 3.212 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC000378956734 457416028 /nfs/dbraw/zinc/41/60/28/457416028.db2.gz UCMPYGSODKQSIP-CVEARBPZSA-N 2 2 332.488 3.373 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC000378956734 457416031 /nfs/dbraw/zinc/41/60/31/457416031.db2.gz UCMPYGSODKQSIP-CVEARBPZSA-N 2 2 332.488 3.373 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc21 ZINC000360897225 457419145 /nfs/dbraw/zinc/41/91/45/457419145.db2.gz LEOYXLUAGKQLLP-AHRSYUTCSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c2ccccc21 ZINC000360897225 457419149 /nfs/dbraw/zinc/41/91/49/457419149.db2.gz LEOYXLUAGKQLLP-AHRSYUTCSA-N 2 2 343.515 3.157 20 0 EGADLP CCOc1cc2[nH+]ccc(N[C@H](C)Cn3cc[nH+]c3)c2cc1OCC ZINC000357304999 457433891 /nfs/dbraw/zinc/43/38/91/457433891.db2.gz RCBSUHHNFYBUEL-CQSZACIVSA-N 2 2 340.427 3.151 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000356123660 457465835 /nfs/dbraw/zinc/46/58/35/457465835.db2.gz ITBYVJWHAALDKU-QWRGUYRKSA-N 2 2 335.250 3.240 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000395014027 457474434 /nfs/dbraw/zinc/47/44/34/457474434.db2.gz MZXDJWOKNRVDML-QWHCGFSZSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000395014027 457474437 /nfs/dbraw/zinc/47/44/37/457474437.db2.gz MZXDJWOKNRVDML-QWHCGFSZSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000397313208 457486670 /nfs/dbraw/zinc/48/66/70/457486670.db2.gz KAXFJJFGTDETGJ-MBNYWOFBSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000397313208 457486673 /nfs/dbraw/zinc/48/66/73/457486673.db2.gz KAXFJJFGTDETGJ-MBNYWOFBSA-N 2 2 334.851 3.195 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398034019 457495399 /nfs/dbraw/zinc/49/53/99/457495399.db2.gz OSOOQWIIMLWAMR-WSTZPKSXSA-N 2 2 345.531 3.182 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398034019 457495405 /nfs/dbraw/zinc/49/54/05/457495405.db2.gz OSOOQWIIMLWAMR-WSTZPKSXSA-N 2 2 345.531 3.182 20 0 EGADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425355942 457515327 /nfs/dbraw/zinc/51/53/27/457515327.db2.gz OWNPKTGWXOSEQJ-LRDDRELGSA-N 2 2 336.867 3.005 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000342777524 457517980 /nfs/dbraw/zinc/51/79/80/457517980.db2.gz IFNSVHKGFLBPCG-KRWDZBQOSA-N 2 2 332.488 3.372 20 0 EGADLP C[C@@H]1C[C@H](CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210320 457527653 /nfs/dbraw/zinc/52/76/53/457527653.db2.gz ZGQSIPDOITWVFZ-KURKYZTESA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H]1C[C@H](CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210320 457527662 /nfs/dbraw/zinc/52/76/62/457527662.db2.gz ZGQSIPDOITWVFZ-KURKYZTESA-N 2 2 349.563 3.124 20 0 EGADLP CCOc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1O ZINC000357481163 457556583 /nfs/dbraw/zinc/55/65/83/457556583.db2.gz VGFBPGSSDSSUNR-UHFFFAOYSA-N 2 2 341.386 3.406 20 0 EGADLP Cc1ccccc1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072429 457564651 /nfs/dbraw/zinc/56/46/51/457564651.db2.gz HLVNPTWKWRRPBJ-UHFFFAOYSA-N 2 2 340.471 3.322 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361075593 457567035 /nfs/dbraw/zinc/56/70/35/457567035.db2.gz ZWGFOOOUVYLXMA-UHFFFAOYSA-N 2 2 341.455 3.362 20 0 EGADLP CC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1cccc(F)c1 ZINC000352751704 457581588 /nfs/dbraw/zinc/58/15/88/457581588.db2.gz WFGVZHHXYRZMNR-CQSZACIVSA-N 2 2 337.464 3.291 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000370312958 457616370 /nfs/dbraw/zinc/61/63/70/457616370.db2.gz FGWOXILHAPBIOG-VQTJNVASSA-N 2 2 344.499 3.381 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(Br)c1 ZINC000425917954 457650938 /nfs/dbraw/zinc/65/09/38/457650938.db2.gz HHBWLEPSGUCEDC-NWDGAFQWSA-N 2 2 329.282 3.306 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000361318189 457691406 /nfs/dbraw/zinc/69/14/06/457691406.db2.gz IMXGEWDPGWNDCE-KRWDZBQOSA-N 2 2 330.476 3.005 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000357896273 457726523 /nfs/dbraw/zinc/72/65/23/457726523.db2.gz VASGKOVLZMFYNM-QGZVFWFLSA-N 2 2 340.471 3.031 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358026546 457743791 /nfs/dbraw/zinc/74/37/91/457743791.db2.gz QLTPVMDYDQXXMK-XLIONFOSSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000358026546 457743793 /nfs/dbraw/zinc/74/37/93/457743793.db2.gz QLTPVMDYDQXXMK-XLIONFOSSA-N 2 2 331.504 3.231 20 0 EGADLP Cn1c(NCc2ccccc2C[NH+]2CCCC2)[nH+]c2cccc(F)c21 ZINC000443432461 457763803 /nfs/dbraw/zinc/76/38/03/457763803.db2.gz UASAHKWEVJKYBJ-UHFFFAOYSA-N 2 2 338.430 3.342 20 0 EGADLP CCC(CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)[NH+]1CCCC1 ZINC000457607968 457764060 /nfs/dbraw/zinc/76/40/60/457764060.db2.gz IMNRTLSHDGAGDX-XIRDDKMYSA-N 2 2 347.507 3.089 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)Cn1cc[nH+]c1 ZINC000358079990 457772693 /nfs/dbraw/zinc/77/26/93/457772693.db2.gz FDDJVDROZKPTNW-QWFCFKBJSA-N 3 2 326.488 3.162 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)Cn1cc[nH+]c1 ZINC000358079990 457772695 /nfs/dbraw/zinc/77/26/95/457772695.db2.gz FDDJVDROZKPTNW-QWFCFKBJSA-N 3 2 326.488 3.162 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccncc2)C1 ZINC000426170802 457781543 /nfs/dbraw/zinc/78/15/43/457781543.db2.gz QRVUBVUZYUPMEO-WHLIDYPQSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccncc2)C1 ZINC000426170802 457781550 /nfs/dbraw/zinc/78/15/50/457781550.db2.gz QRVUBVUZYUPMEO-WHLIDYPQSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccncc2)C1 ZINC000426170802 457781555 /nfs/dbraw/zinc/78/15/55/457781555.db2.gz QRVUBVUZYUPMEO-WHLIDYPQSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000426170802 457781559 /nfs/dbraw/zinc/78/15/59/457781559.db2.gz QRVUBVUZYUPMEO-WHLIDYPQSA-N 2 2 342.512 3.314 20 0 EGADLP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nn2)cc1 ZINC000365964295 457785456 /nfs/dbraw/zinc/78/54/56/457785456.db2.gz BRAZKNNAUAVEDV-CYBMUJFWSA-N 2 2 342.834 3.023 20 0 EGADLP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)nn2)cc1 ZINC000365964295 457785463 /nfs/dbraw/zinc/78/54/63/457785463.db2.gz BRAZKNNAUAVEDV-CYBMUJFWSA-N 2 2 342.834 3.023 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000426348314 457808868 /nfs/dbraw/zinc/80/88/68/457808868.db2.gz QHTKMXPRXLRHCG-QAPCUYQASA-N 2 2 342.487 3.331 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000426348314 457808872 /nfs/dbraw/zinc/80/88/72/457808872.db2.gz QHTKMXPRXLRHCG-QAPCUYQASA-N 2 2 342.487 3.331 20 0 EGADLP CC(=O)NC1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361748678 457832077 /nfs/dbraw/zinc/83/20/77/457832077.db2.gz BVJFWOUSJIMVKT-UHFFFAOYSA-N 2 2 340.471 3.060 20 0 EGADLP CC(=O)NC1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361748678 457832082 /nfs/dbraw/zinc/83/20/82/457832082.db2.gz BVJFWOUSJIMVKT-UHFFFAOYSA-N 2 2 340.471 3.060 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289216 457849577 /nfs/dbraw/zinc/84/95/77/457849577.db2.gz IVWJILATIRUVJQ-PMPSAXMXSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289216 457849586 /nfs/dbraw/zinc/84/95/86/457849586.db2.gz IVWJILATIRUVJQ-PMPSAXMXSA-N 2 2 347.484 3.087 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303401 457856200 /nfs/dbraw/zinc/85/62/00/457856200.db2.gz OJMUYDPMJWAJIP-XMSQKQJNSA-N 2 2 337.511 3.298 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303401 457856206 /nfs/dbraw/zinc/85/62/06/457856206.db2.gz OJMUYDPMJWAJIP-XMSQKQJNSA-N 2 2 337.511 3.298 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)OCCCO2 ZINC000375268342 457858121 /nfs/dbraw/zinc/85/81/21/457858121.db2.gz MZQNIRBVARQFHX-AWEZNQCLSA-N 2 2 327.428 3.232 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444169804 457862629 /nfs/dbraw/zinc/86/26/29/457862629.db2.gz SMWCUYPBTJSPAB-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444169804 457862635 /nfs/dbraw/zinc/86/26/35/457862635.db2.gz SMWCUYPBTJSPAB-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444169804 457862642 /nfs/dbraw/zinc/86/26/42/457862642.db2.gz SMWCUYPBTJSPAB-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000444169804 457862647 /nfs/dbraw/zinc/86/26/47/457862647.db2.gz SMWCUYPBTJSPAB-PBHICJAKSA-N 2 2 337.895 3.473 20 0 EGADLP CS[C@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C[C@H]1[NH+](C)C ZINC000433775549 457883609 /nfs/dbraw/zinc/88/36/09/457883609.db2.gz UTVHCAQKIBHUKO-KGLIPLIRSA-N 2 2 336.549 3.379 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000411433750 457886231 /nfs/dbraw/zinc/88/62/31/457886231.db2.gz XHXJDMVJSBINJK-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000411433750 457886240 /nfs/dbraw/zinc/88/62/40/457886240.db2.gz XHXJDMVJSBINJK-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC000411556139 457918738 /nfs/dbraw/zinc/91/87/38/457918738.db2.gz XLLSOLPWUUTCKB-ZIAGYGMSSA-N 2 2 348.516 3.387 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358301446 457919704 /nfs/dbraw/zinc/91/97/04/457919704.db2.gz RBJWDKBDWFPERP-ZFWWWQNUSA-N 2 2 347.450 3.177 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358301446 457919712 /nfs/dbraw/zinc/91/97/12/457919712.db2.gz RBJWDKBDWFPERP-ZFWWWQNUSA-N 2 2 347.450 3.177 20 0 EGADLP CC[C@H]1C[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010142 457931793 /nfs/dbraw/zinc/93/17/93/457931793.db2.gz BOFFQMIPANPLOW-GTAWCEEGSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@H]1C[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010142 457931801 /nfs/dbraw/zinc/93/18/01/457931801.db2.gz BOFFQMIPANPLOW-GTAWCEEGSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010142 457931804 /nfs/dbraw/zinc/93/18/04/457931804.db2.gz BOFFQMIPANPLOW-GTAWCEEGSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010142 457931811 /nfs/dbraw/zinc/93/18/11/457931811.db2.gz BOFFQMIPANPLOW-GTAWCEEGSA-N 2 2 331.504 3.211 20 0 EGADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)Sc2sccc21)C[NH+]1CCOCC1 ZINC000361892994 457936551 /nfs/dbraw/zinc/93/65/51/457936551.db2.gz OJCIZUXACHOLIR-NFAWXSAZSA-N 2 2 326.531 3.231 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361893902 457938067 /nfs/dbraw/zinc/93/80/67/457938067.db2.gz SIRAUSWGEXLYRZ-LIRRHRJNSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361893902 457938073 /nfs/dbraw/zinc/93/80/73/457938073.db2.gz SIRAUSWGEXLYRZ-LIRRHRJNSA-N 2 2 345.512 3.048 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343731 457946574 /nfs/dbraw/zinc/94/65/74/457946574.db2.gz UCPOGQYRHICQCI-OXQOHEQNSA-N 2 2 334.467 3.216 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343731 457946580 /nfs/dbraw/zinc/94/65/80/457946580.db2.gz UCPOGQYRHICQCI-OXQOHEQNSA-N 2 2 334.467 3.216 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371526646 457974829 /nfs/dbraw/zinc/97/48/29/457974829.db2.gz RZVGRJWQHIABQM-SFHVURJKSA-N 2 2 338.455 3.373 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000375609141 457988158 /nfs/dbraw/zinc/98/81/58/457988158.db2.gz WWEPEXYKQPIZHU-LJQANCHMSA-N 2 2 348.491 3.236 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000371561168 457990344 /nfs/dbraw/zinc/99/03/44/457990344.db2.gz QHIGFJGLRTZHPP-QGZVFWFLSA-N 2 2 326.444 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411925220 458012086 /nfs/dbraw/zinc/01/20/86/458012086.db2.gz NBUVUMFHMKBFRX-SFTDATJTSA-N 2 2 333.435 3.489 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411925220 458012090 /nfs/dbraw/zinc/01/20/90/458012090.db2.gz NBUVUMFHMKBFRX-SFTDATJTSA-N 2 2 333.435 3.489 20 0 EGADLP OCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C2CC3CC(C2)CC1C3 ZINC000412003915 458041434 /nfs/dbraw/zinc/04/14/34/458041434.db2.gz QYMWMJSWOWUEQO-UHFFFAOYSA-N 2 2 337.467 3.149 20 0 EGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000434788421 458050375 /nfs/dbraw/zinc/05/03/75/458050375.db2.gz YQKGPISQRYWNAC-PKOBYXMFSA-N 3 2 330.520 3.008 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000435368448 458120929 /nfs/dbraw/zinc/12/09/29/458120929.db2.gz AMQVUASZWJXNMX-CABCVRRESA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000435368448 458120933 /nfs/dbraw/zinc/12/09/33/458120933.db2.gz AMQVUASZWJXNMX-CABCVRRESA-N 2 2 331.485 3.200 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000435383110 458130353 /nfs/dbraw/zinc/13/03/53/458130353.db2.gz FCZMMPCIBQRZGR-BEFAXECRSA-N 2 2 325.456 3.459 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000435383110 458130359 /nfs/dbraw/zinc/13/03/59/458130359.db2.gz FCZMMPCIBQRZGR-BEFAXECRSA-N 2 2 325.456 3.459 20 0 EGADLP Cc1ccc2[nH+]cc(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)n2c1 ZINC000435389083 458134590 /nfs/dbraw/zinc/13/45/90/458134590.db2.gz IPUGSHXVWMDXTD-IBGZPJMESA-N 2 2 349.482 3.182 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000428434914 458141270 /nfs/dbraw/zinc/14/12/70/458141270.db2.gz BDMFEOYSDJRCFE-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1F ZINC000428434914 458141275 /nfs/dbraw/zinc/14/12/75/458141275.db2.gz BDMFEOYSDJRCFE-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000428434914 458141281 /nfs/dbraw/zinc/14/12/81/458141281.db2.gz BDMFEOYSDJRCFE-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000428434914 458141289 /nfs/dbraw/zinc/14/12/89/458141289.db2.gz BDMFEOYSDJRCFE-NRFANRHFSA-N 2 2 342.458 3.203 20 0 EGADLP Fc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435421952 458143481 /nfs/dbraw/zinc/14/34/81/458143481.db2.gz LZQQHDNBPPJFKS-MRXNPFEDSA-N 2 2 331.460 3.427 20 0 EGADLP Fc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435421952 458143489 /nfs/dbraw/zinc/14/34/89/458143489.db2.gz LZQQHDNBPPJFKS-MRXNPFEDSA-N 2 2 331.460 3.427 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c[nH+]1 ZINC000458751688 458159040 /nfs/dbraw/zinc/15/90/40/458159040.db2.gz AUOVRKLFQXZWJB-LPHOPBHVSA-N 2 2 340.471 3.189 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@]3(CO)C[C@@H]3c3ccc(F)cc3)c[nH+]c12 ZINC000428532899 458162949 /nfs/dbraw/zinc/16/29/49/458162949.db2.gz HRTSEOMDGPMBDI-QUCCMNQESA-N 2 2 339.414 3.038 20 0 EGADLP Clc1ccc(N2CCC[N@@H+](CCn3cc[nH+]c3)CC2)cc1Cl ZINC000376146004 458211555 /nfs/dbraw/zinc/21/15/55/458211555.db2.gz AYQHPZHERYTWEM-UHFFFAOYSA-N 2 2 339.270 3.402 20 0 EGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000446752608 458224713 /nfs/dbraw/zinc/22/47/13/458224713.db2.gz HZXHEWQJJLUGKJ-SVFBPWRDSA-N 2 2 348.531 3.317 20 0 EGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000446752608 458224722 /nfs/dbraw/zinc/22/47/22/458224722.db2.gz HZXHEWQJJLUGKJ-SVFBPWRDSA-N 2 2 348.531 3.317 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000446890855 458242216 /nfs/dbraw/zinc/24/22/16/458242216.db2.gz QDHBJGMNPGAUBP-RXVVDRJESA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000446890855 458242226 /nfs/dbraw/zinc/24/22/26/458242226.db2.gz QDHBJGMNPGAUBP-RXVVDRJESA-N 3 2 341.543 3.361 20 0 EGADLP COCCC1(C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CCCCC1 ZINC000436248789 458275094 /nfs/dbraw/zinc/27/50/94/458275094.db2.gz QXPGEWSXLGMGCA-UHFFFAOYSA-N 2 2 340.552 3.452 20 0 EGADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C[C@@H](C)O1 ZINC000372372423 458294314 /nfs/dbraw/zinc/29/43/14/458294314.db2.gz GMDYTZYMTOSARE-HZPDHXFCSA-N 2 2 347.503 3.263 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730522 458328033 /nfs/dbraw/zinc/32/80/33/458328033.db2.gz ZUYNGLWTSYVZCD-KXBFYZLASA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000372730522 458328038 /nfs/dbraw/zinc/32/80/38/458328038.db2.gz ZUYNGLWTSYVZCD-KXBFYZLASA-N 2 2 333.907 3.039 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000459376100 458349633 /nfs/dbraw/zinc/34/96/33/458349633.db2.gz ZUIMXEQWVANFJQ-QAPCUYQASA-N 2 2 349.438 3.129 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000459376100 458349637 /nfs/dbraw/zinc/34/96/37/458349637.db2.gz ZUIMXEQWVANFJQ-QAPCUYQASA-N 2 2 349.438 3.129 20 0 EGADLP CC(C)[C@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698444 458360628 /nfs/dbraw/zinc/36/06/28/458360628.db2.gz NKCIERYYOSVXKQ-VQTJNVASSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698444 458360630 /nfs/dbraw/zinc/36/06/30/458360630.db2.gz NKCIERYYOSVXKQ-VQTJNVASSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698444 458360634 /nfs/dbraw/zinc/36/06/34/458360634.db2.gz NKCIERYYOSVXKQ-VQTJNVASSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698444 458360638 /nfs/dbraw/zinc/36/06/38/458360638.db2.gz NKCIERYYOSVXKQ-VQTJNVASSA-N 2 2 348.556 3.351 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448033953 458382680 /nfs/dbraw/zinc/38/26/80/458382680.db2.gz ZIAHLAOMTMWQFC-PBHICJAKSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448033953 458382684 /nfs/dbraw/zinc/38/26/84/458382684.db2.gz ZIAHLAOMTMWQFC-PBHICJAKSA-N 2 2 335.467 3.253 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144284 458410762 /nfs/dbraw/zinc/41/07/62/458410762.db2.gz GPJWFGBZGQZMRG-IBGZPJMESA-N 2 2 333.907 3.468 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144284 458410764 /nfs/dbraw/zinc/41/07/64/458410764.db2.gz GPJWFGBZGQZMRG-IBGZPJMESA-N 2 2 333.907 3.468 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144284 458410767 /nfs/dbraw/zinc/41/07/67/458410767.db2.gz GPJWFGBZGQZMRG-IBGZPJMESA-N 2 2 333.907 3.468 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000430144284 458410771 /nfs/dbraw/zinc/41/07/71/458410771.db2.gz GPJWFGBZGQZMRG-IBGZPJMESA-N 2 2 333.907 3.468 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000437142735 458430356 /nfs/dbraw/zinc/43/03/56/458430356.db2.gz GVOHYUSGWBWJCN-QUCCMNQESA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000437142735 458430359 /nfs/dbraw/zinc/43/03/59/458430359.db2.gz GVOHYUSGWBWJCN-QUCCMNQESA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000437142735 458430361 /nfs/dbraw/zinc/43/03/61/458430361.db2.gz GVOHYUSGWBWJCN-QUCCMNQESA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000437142735 458430364 /nfs/dbraw/zinc/43/03/64/458430364.db2.gz GVOHYUSGWBWJCN-QUCCMNQESA-N 2 2 336.483 3.376 20 0 EGADLP Clc1cc(Br)ccc1[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423441100 458433691 /nfs/dbraw/zinc/43/36/91/458433691.db2.gz UFZNFYDMDDJOMS-MYZSUADSSA-N 2 2 341.680 3.361 20 0 EGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423516845 458448533 /nfs/dbraw/zinc/44/85/33/458448533.db2.gz HAWDWMIBULGEPN-JKSUJKDBSA-N 2 2 330.394 3.371 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423525593 458451154 /nfs/dbraw/zinc/45/11/54/458451154.db2.gz KNAKVHIPDWRCIF-JCGIZDLHSA-N 2 2 326.440 3.110 20 0 EGADLP CCOC[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698505 458451674 /nfs/dbraw/zinc/45/16/74/458451674.db2.gz CEOCZUNWPXLSRY-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698505 458451677 /nfs/dbraw/zinc/45/16/77/458451677.db2.gz CEOCZUNWPXLSRY-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000459698505 458451681 /nfs/dbraw/zinc/45/16/81/458451681.db2.gz CEOCZUNWPXLSRY-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000459698505 458451683 /nfs/dbraw/zinc/45/16/83/458451683.db2.gz CEOCZUNWPXLSRY-RTWAWAEBSA-N 2 2 346.515 3.169 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(-c2ccccc2)nn1C ZINC000423527723 458452215 /nfs/dbraw/zinc/45/22/15/458452215.db2.gz MOCJMOBWPMFPRH-LKUPVBHCSA-N 2 2 346.478 3.493 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000423537651 458454979 /nfs/dbraw/zinc/45/49/79/458454979.db2.gz KLIWKNLKEGHJLU-UHFFFAOYSA-N 3 2 333.907 3.204 20 0 EGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423543292 458456468 /nfs/dbraw/zinc/45/64/68/458456468.db2.gz BUGIADSUPPVYAF-RUYXUALKSA-N 3 2 329.532 3.394 20 0 EGADLP CCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430540470 458458919 /nfs/dbraw/zinc/45/89/19/458458919.db2.gz ABFQKJJCHYNPES-UHFFFAOYSA-N 2 2 327.472 3.109 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1cccc2ccccc21 ZINC000430540470 458458921 /nfs/dbraw/zinc/45/89/21/458458921.db2.gz ABFQKJJCHYNPES-UHFFFAOYSA-N 2 2 327.472 3.109 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000430553148 458459897 /nfs/dbraw/zinc/45/98/97/458459897.db2.gz CRXDTXIDPXIISA-BDJLRTHQSA-N 2 2 346.302 3.134 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430561847 458461973 /nfs/dbraw/zinc/46/19/73/458461973.db2.gz AWOMPJGQVAFRFW-INIZCTEOSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430561847 458461976 /nfs/dbraw/zinc/46/19/76/458461976.db2.gz AWOMPJGQVAFRFW-INIZCTEOSA-N 2 2 339.439 3.231 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430582641 458467095 /nfs/dbraw/zinc/46/70/95/458467095.db2.gz KTNJDOACCUUIHZ-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430582641 458467098 /nfs/dbraw/zinc/46/70/98/458467098.db2.gz KTNJDOACCUUIHZ-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594818 458469618 /nfs/dbraw/zinc/46/96/18/458469618.db2.gz WEWVPTPMEFUDLX-BXUZGUMPSA-N 2 2 329.847 3.111 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000430594818 458469622 /nfs/dbraw/zinc/46/96/22/458469622.db2.gz WEWVPTPMEFUDLX-BXUZGUMPSA-N 2 2 329.847 3.111 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919549 458504793 /nfs/dbraw/zinc/50/47/93/458504793.db2.gz LNNVZMINYCWNFI-VQIMIIECSA-N 2 2 348.450 3.367 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919549 458504795 /nfs/dbraw/zinc/50/47/95/458504795.db2.gz LNNVZMINYCWNFI-VQIMIIECSA-N 2 2 348.450 3.367 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923651 458505896 /nfs/dbraw/zinc/50/58/96/458505896.db2.gz FRXHQJRZSJREGK-FXAWDEMLSA-N 2 2 337.467 3.264 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923651 458505902 /nfs/dbraw/zinc/50/59/02/458505902.db2.gz FRXHQJRZSJREGK-FXAWDEMLSA-N 2 2 337.467 3.264 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430960673 458510772 /nfs/dbraw/zinc/51/07/72/458510772.db2.gz KWCFSCSPCPRQAE-KRWDZBQOSA-N 2 2 335.536 3.022 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430960673 458510775 /nfs/dbraw/zinc/51/07/75/458510775.db2.gz KWCFSCSPCPRQAE-KRWDZBQOSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430959706 458511659 /nfs/dbraw/zinc/51/16/59/458511659.db2.gz DDXSLBZBAOVHMB-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430959706 458511661 /nfs/dbraw/zinc/51/16/61/458511661.db2.gz DDXSLBZBAOVHMB-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1cccc(-n2cc[nH+]c2)c1 ZINC000431021994 458516925 /nfs/dbraw/zinc/51/69/25/458516925.db2.gz BTZYFLAYLNBIJH-KFKAGJAMSA-N 2 2 340.471 3.347 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000377827373 458543753 /nfs/dbraw/zinc/54/37/53/458543753.db2.gz VYTHTMWZANRYGD-CQSZACIVSA-N 2 2 349.862 3.470 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000377827373 458543757 /nfs/dbraw/zinc/54/37/57/458543757.db2.gz VYTHTMWZANRYGD-CQSZACIVSA-N 2 2 349.862 3.470 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)CCC2 ZINC000377830909 458544459 /nfs/dbraw/zinc/54/44/59/458544459.db2.gz IJBGMLMFQXCFQT-HNNXBMFYSA-N 2 2 339.418 3.388 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000377889122 458564320 /nfs/dbraw/zinc/56/43/20/458564320.db2.gz NIUTXPHTHCRELZ-CQSZACIVSA-N 2 2 341.846 3.453 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000377889122 458564327 /nfs/dbraw/zinc/56/43/27/458564327.db2.gz NIUTXPHTHCRELZ-CQSZACIVSA-N 2 2 341.846 3.453 20 0 EGADLP COC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1 ZINC000493800020 458570879 /nfs/dbraw/zinc/57/08/79/458570879.db2.gz XKWIJIDXTGQJNJ-RKVPGOIHSA-N 2 2 340.895 3.116 20 0 EGADLP Cc1cccn2c(C[NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c[nH+]c12 ZINC000424186485 458580536 /nfs/dbraw/zinc/58/05/36/458580536.db2.gz IDNDTCPXBZIJJK-UHFFFAOYSA-N 2 2 331.460 3.490 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1)CCC2 ZINC000377993231 458593704 /nfs/dbraw/zinc/59/37/04/458593704.db2.gz FLTJXGCDMVKMCE-GDBMZVCRSA-N 2 2 326.444 3.076 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000424329506 458617997 /nfs/dbraw/zinc/61/79/97/458617997.db2.gz GPOVQSGQIJGPJF-VXGBXAGGSA-N 2 2 349.784 3.157 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217633 458719195 /nfs/dbraw/zinc/71/91/95/458719195.db2.gz UQLYBIVLOXNSLG-JKSUJKDBSA-N 2 2 330.863 3.037 20 0 EGADLP CCc1ccc([C@@H](CC(C)C)[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000530223458 458722041 /nfs/dbraw/zinc/72/20/41/458722041.db2.gz JXYKIMSMMAOGKV-PWRODBHTSA-N 2 2 340.515 3.496 20 0 EGADLP CCc1ccc([C@@H](CC(C)C)[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000530223458 458722046 /nfs/dbraw/zinc/72/20/46/458722046.db2.gz JXYKIMSMMAOGKV-PWRODBHTSA-N 2 2 340.515 3.496 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000494768663 458743258 /nfs/dbraw/zinc/74/32/58/458743258.db2.gz QYZCDVIRVHYBPS-IVAOSVALSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000494768663 458743264 /nfs/dbraw/zinc/74/32/64/458743264.db2.gz QYZCDVIRVHYBPS-IVAOSVALSA-N 2 2 340.511 3.444 20 0 EGADLP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000530407510 458763588 /nfs/dbraw/zinc/76/35/88/458763588.db2.gz SCYVBEGHGAMMEG-SFHVURJKSA-N 2 2 328.366 3.015 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000472761569 458807215 /nfs/dbraw/zinc/80/72/15/458807215.db2.gz FXBFRLCAHLZNHD-FQEVSTJZSA-N 2 2 349.563 3.366 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000472761569 458807221 /nfs/dbraw/zinc/80/72/21/458807221.db2.gz FXBFRLCAHLZNHD-FQEVSTJZSA-N 2 2 349.563 3.366 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902402 458810396 /nfs/dbraw/zinc/81/03/96/458810396.db2.gz KUWVXPRQBOTUCJ-AQNXPRMDSA-N 2 2 348.556 3.397 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902402 458810402 /nfs/dbraw/zinc/81/04/02/458810402.db2.gz KUWVXPRQBOTUCJ-AQNXPRMDSA-N 2 2 348.556 3.397 20 0 EGADLP Cc1cc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000432940141 458816548 /nfs/dbraw/zinc/81/65/48/458816548.db2.gz QKSZXHMDMFALOH-MRXNPFEDSA-N 2 2 326.444 3.459 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000495302933 458830938 /nfs/dbraw/zinc/83/09/38/458830938.db2.gz XGYFYTQQDNCKGU-ZDUSSCGKSA-N 2 2 348.472 3.033 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000495302933 458830942 /nfs/dbraw/zinc/83/09/42/458830942.db2.gz XGYFYTQQDNCKGU-ZDUSSCGKSA-N 2 2 348.472 3.033 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000466906243 458931920 /nfs/dbraw/zinc/93/19/20/458931920.db2.gz JXGKOCVGXQPXQC-VLCRHTCISA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000466906243 458931925 /nfs/dbraw/zinc/93/19/25/458931925.db2.gz JXGKOCVGXQPXQC-VLCRHTCISA-N 2 2 338.495 3.151 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)n1C ZINC000566498666 458950289 /nfs/dbraw/zinc/95/02/89/458950289.db2.gz FUDVWJOATXXMMG-GOSISDBHSA-N 2 2 332.879 3.309 20 0 EGADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)C2 ZINC000556359686 458952124 /nfs/dbraw/zinc/95/21/24/458952124.db2.gz MFCHYZKQCVOENS-OAHLLOKOSA-N 2 2 349.438 3.007 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000531702938 458963900 /nfs/dbraw/zinc/96/39/00/458963900.db2.gz ULIVZMIXGQSTLI-YQVWRLOYSA-N 2 2 331.504 3.059 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000531702938 458963907 /nfs/dbraw/zinc/96/39/07/458963907.db2.gz ULIVZMIXGQSTLI-YQVWRLOYSA-N 2 2 331.504 3.059 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531706253 458964580 /nfs/dbraw/zinc/96/45/80/458964580.db2.gz NUPKXGNVDMPXPV-WOJBJXKFSA-N 2 2 343.515 3.060 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531706253 458964584 /nfs/dbraw/zinc/96/45/84/458964584.db2.gz NUPKXGNVDMPXPV-WOJBJXKFSA-N 2 2 343.515 3.060 20 0 EGADLP COc1cc(F)c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1OC ZINC000519705866 458990698 /nfs/dbraw/zinc/99/06/98/458990698.db2.gz NUUARZIESALHKS-KRWDZBQOSA-N 2 2 326.456 3.299 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2cncnc2)cc1 ZINC000556703517 458992377 /nfs/dbraw/zinc/99/23/77/458992377.db2.gz GXUOYKKKSOBINS-OAQYLSRUSA-N 2 2 345.450 3.220 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531956799 459005894 /nfs/dbraw/zinc/00/58/94/459005894.db2.gz WSFJZEGEXJHZRE-INIZCTEOSA-N 2 2 337.467 3.354 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000531956799 459005896 /nfs/dbraw/zinc/00/58/96/459005896.db2.gz WSFJZEGEXJHZRE-INIZCTEOSA-N 2 2 337.467 3.354 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1sccc1Br ZINC000531976512 459010598 /nfs/dbraw/zinc/01/05/98/459010598.db2.gz SYYBHGWUDVMVMR-NWDGAFQWSA-N 2 2 347.322 3.130 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636787 459019307 /nfs/dbraw/zinc/01/93/07/459019307.db2.gz UTTBHJPDGAUZFL-ZWKOTPCHSA-N 2 2 331.463 3.499 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636787 459019312 /nfs/dbraw/zinc/01/93/12/459019312.db2.gz UTTBHJPDGAUZFL-ZWKOTPCHSA-N 2 2 331.463 3.499 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767180 459032458 /nfs/dbraw/zinc/03/24/58/459032458.db2.gz QCSCPKHUEQFQEA-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767180 459032465 /nfs/dbraw/zinc/03/24/65/459032465.db2.gz QCSCPKHUEQFQEA-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000520397883 459055781 /nfs/dbraw/zinc/05/57/81/459055781.db2.gz MNGLPIOMIBPLOI-QGZVFWFLSA-N 2 2 335.467 3.173 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000520397883 459055784 /nfs/dbraw/zinc/05/57/84/459055784.db2.gz MNGLPIOMIBPLOI-QGZVFWFLSA-N 2 2 335.467 3.173 20 0 EGADLP Cn1cnc2cc(C[N@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)ccc21 ZINC000577633522 459066722 /nfs/dbraw/zinc/06/67/22/459066722.db2.gz MQSPWHHEJARRDY-IBGZPJMESA-N 2 2 334.467 3.328 20 0 EGADLP Cn1cnc2cc(C[N@@H+](Cc3ccccc3)[C@H]3CCC[NH2+]C3)ccc21 ZINC000577633522 459066729 /nfs/dbraw/zinc/06/67/29/459066729.db2.gz MQSPWHHEJARRDY-IBGZPJMESA-N 2 2 334.467 3.328 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000567279192 459078509 /nfs/dbraw/zinc/07/85/09/459078509.db2.gz ZEUHQWQRBOPXPP-NRFANRHFSA-N 2 2 338.499 3.292 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000567279192 459078510 /nfs/dbraw/zinc/07/85/10/459078510.db2.gz ZEUHQWQRBOPXPP-NRFANRHFSA-N 2 2 338.499 3.292 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532567035 459110809 /nfs/dbraw/zinc/11/08/09/459110809.db2.gz USMLRAQFHJCFFB-WEWRAIFCSA-N 2 2 344.543 3.436 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532567035 459110811 /nfs/dbraw/zinc/11/08/11/459110811.db2.gz USMLRAQFHJCFFB-WEWRAIFCSA-N 2 2 344.543 3.436 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532567035 459110817 /nfs/dbraw/zinc/11/08/17/459110817.db2.gz USMLRAQFHJCFFB-WEWRAIFCSA-N 2 2 344.543 3.436 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532567035 459110821 /nfs/dbraw/zinc/11/08/21/459110821.db2.gz USMLRAQFHJCFFB-WEWRAIFCSA-N 2 2 344.543 3.436 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](COC(N)=O)Cc2ccccc2)c[nH+]1 ZINC000496244700 459120817 /nfs/dbraw/zinc/12/08/17/459120817.db2.gz IYUDIQMUFYNZKI-GOSISDBHSA-N 2 2 327.428 3.033 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000521266835 459137541 /nfs/dbraw/zinc/13/75/41/459137541.db2.gz HUQAELGRGHNHJB-DOMZBBRYSA-N 2 2 334.851 3.037 20 0 EGADLP CCOc1ccccc1N1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000532750583 459139500 /nfs/dbraw/zinc/13/95/00/459139500.db2.gz LEGNCFFDEZTSFF-SFHVURJKSA-N 2 2 331.504 3.082 20 0 EGADLP CCOc1ccccc1N1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000532750583 459139506 /nfs/dbraw/zinc/13/95/06/459139506.db2.gz LEGNCFFDEZTSFF-SFHVURJKSA-N 2 2 331.504 3.082 20 0 EGADLP CCCc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000479530538 459146310 /nfs/dbraw/zinc/14/63/10/459146310.db2.gz TZCAHDOCSGLMEI-JOCHJYFZSA-N 2 2 338.495 3.148 20 0 EGADLP CCCc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000479530538 459146314 /nfs/dbraw/zinc/14/63/14/459146314.db2.gz TZCAHDOCSGLMEI-JOCHJYFZSA-N 2 2 338.495 3.148 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCCCC2)cc1 ZINC000480087387 459182784 /nfs/dbraw/zinc/18/27/84/459182784.db2.gz BLOKYKWNKTXJGN-WMQCIHAUSA-N 2 2 345.531 3.152 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCCC2)cc1 ZINC000480087387 459182787 /nfs/dbraw/zinc/18/27/87/459182787.db2.gz BLOKYKWNKTXJGN-WMQCIHAUSA-N 2 2 345.531 3.152 20 0 EGADLP Brc1ccc2oc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2c1 ZINC000578338720 459184877 /nfs/dbraw/zinc/18/48/77/459184877.db2.gz ULIVQSLMIVMMSF-ZDUSSCGKSA-N 2 2 346.228 3.496 20 0 EGADLP c1cn2c([nH+]1)[C@@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123007 459193653 /nfs/dbraw/zinc/19/36/53/459193653.db2.gz ARZOPODJKQDGBR-IEBWSBKVSA-N 2 2 333.439 3.124 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000558715092 459203427 /nfs/dbraw/zinc/20/34/27/459203427.db2.gz BUPQJJMEYZDIRW-CABCVRRESA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000558715092 459203429 /nfs/dbraw/zinc/20/34/29/459203429.db2.gz BUPQJJMEYZDIRW-CABCVRRESA-N 2 2 325.412 3.086 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(Cl)cc3)c2cc1C ZINC000558724879 459204836 /nfs/dbraw/zinc/20/48/36/459204836.db2.gz ILBGVJFSROHSNN-KRWDZBQOSA-N 2 2 343.858 3.457 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000522140669 459218630 /nfs/dbraw/zinc/21/86/30/459218630.db2.gz CINWAUGEMKZEHB-MRXNPFEDSA-N 2 2 339.439 3.334 20 0 EGADLP CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000522140669 459218637 /nfs/dbraw/zinc/21/86/37/459218637.db2.gz CINWAUGEMKZEHB-MRXNPFEDSA-N 2 2 339.439 3.334 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000522140668 459219571 /nfs/dbraw/zinc/21/95/71/459219571.db2.gz CINWAUGEMKZEHB-INIZCTEOSA-N 2 2 339.439 3.334 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000522140668 459219575 /nfs/dbraw/zinc/21/95/75/459219575.db2.gz CINWAUGEMKZEHB-INIZCTEOSA-N 2 2 339.439 3.334 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5c(n4)CCC5)C[C@@H]3C2)cc1 ZINC000578602413 459227379 /nfs/dbraw/zinc/22/73/79/459227379.db2.gz IZOYJNZDLCJGKB-BGYRXZFFSA-N 2 2 333.479 3.134 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5c(n4)CCC5)C[C@@H]3C2)cc1 ZINC000578602413 459227384 /nfs/dbraw/zinc/22/73/84/459227384.db2.gz IZOYJNZDLCJGKB-BGYRXZFFSA-N 2 2 333.479 3.134 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5c(n4)CCC5)C[C@@H]3C2)cc1 ZINC000578602413 459227389 /nfs/dbraw/zinc/22/73/89/459227389.db2.gz IZOYJNZDLCJGKB-BGYRXZFFSA-N 2 2 333.479 3.134 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5c(n4)CCC5)C[C@@H]3C2)cc1 ZINC000578602413 459227392 /nfs/dbraw/zinc/22/73/92/459227392.db2.gz IZOYJNZDLCJGKB-BGYRXZFFSA-N 2 2 333.479 3.134 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273735 459247552 /nfs/dbraw/zinc/24/75/52/459247552.db2.gz ZGAMPSMNVNNVCB-HIFRSBDPSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273735 459247559 /nfs/dbraw/zinc/24/75/59/459247559.db2.gz ZGAMPSMNVNNVCB-HIFRSBDPSA-N 2 2 337.305 3.238 20 0 EGADLP CC[C@H](C[NH2+][C@H](Cn1cccn1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000559892095 459282894 /nfs/dbraw/zinc/28/28/94/459282894.db2.gz BOLZOMYJERAAKH-NHCUHLMSSA-N 2 2 340.515 3.334 20 0 EGADLP CC[C@H](C[NH2+][C@H](Cn1cccn1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000559892095 459282899 /nfs/dbraw/zinc/28/28/99/459282899.db2.gz BOLZOMYJERAAKH-NHCUHLMSSA-N 2 2 340.515 3.334 20 0 EGADLP Cc1ccccc1NC(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126138 459292268 /nfs/dbraw/zinc/29/22/68/459292268.db2.gz IAZLZRKEDBIQFU-UHFFFAOYSA-N 2 2 338.455 3.295 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534128088 459292519 /nfs/dbraw/zinc/29/25/19/459292519.db2.gz LPZMKCRAHHIYDW-UHFFFAOYSA-N 2 2 338.455 3.213 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000482206417 459296251 /nfs/dbraw/zinc/29/62/51/459296251.db2.gz FGNFMHCUJNXSSK-RHSMWYFYSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000482206417 459296254 /nfs/dbraw/zinc/29/62/54/459296254.db2.gz FGNFMHCUJNXSSK-RHSMWYFYSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)o2)cc1 ZINC000482206415 459296304 /nfs/dbraw/zinc/29/63/04/459296304.db2.gz FGNFMHCUJNXSSK-PBHICJAKSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)o2)cc1 ZINC000482206415 459296307 /nfs/dbraw/zinc/29/63/07/459296307.db2.gz FGNFMHCUJNXSSK-PBHICJAKSA-N 2 2 342.439 3.306 20 0 EGADLP Cc1cscc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000582058241 459299769 /nfs/dbraw/zinc/29/97/69/459299769.db2.gz UMPDMCYRWPUTNJ-MRXNPFEDSA-N 2 2 329.469 3.174 20 0 EGADLP CCC(CC)[N@H+](CCOC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560159315 459306397 /nfs/dbraw/zinc/30/63/97/459306397.db2.gz HJSZOQHFRBHGDV-NRFANRHFSA-N 2 2 348.531 3.415 20 0 EGADLP CCC(CC)[N@@H+](CCOC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560159315 459306404 /nfs/dbraw/zinc/30/64/04/459306404.db2.gz HJSZOQHFRBHGDV-NRFANRHFSA-N 2 2 348.531 3.415 20 0 EGADLP CCC(CC)[NH+](CCOC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560159315 459306406 /nfs/dbraw/zinc/30/64/06/459306406.db2.gz HJSZOQHFRBHGDV-NRFANRHFSA-N 2 2 348.531 3.415 20 0 EGADLP CCC(CC)[NH+](CCOC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000560159315 459306410 /nfs/dbraw/zinc/30/64/10/459306410.db2.gz HJSZOQHFRBHGDV-NRFANRHFSA-N 2 2 348.531 3.415 20 0 EGADLP C[N@H+](CCc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560156016 459306446 /nfs/dbraw/zinc/30/64/46/459306446.db2.gz SYOZFNAWDAGZKH-JOCHJYFZSA-N 2 2 338.495 3.452 20 0 EGADLP C[N@@H+](CCc1ccccc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000560156016 459306451 /nfs/dbraw/zinc/30/64/51/459306451.db2.gz SYOZFNAWDAGZKH-JOCHJYFZSA-N 2 2 338.495 3.452 20 0 EGADLP C[NH+](CCc1ccccc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000560156016 459306456 /nfs/dbraw/zinc/30/64/56/459306456.db2.gz SYOZFNAWDAGZKH-JOCHJYFZSA-N 2 2 338.495 3.452 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000482534512 459314419 /nfs/dbraw/zinc/31/44/19/459314419.db2.gz QQQAHLAFRCHGMT-YUXAGFNASA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000482534512 459314420 /nfs/dbraw/zinc/31/44/20/459314420.db2.gz QQQAHLAFRCHGMT-YUXAGFNASA-N 2 2 338.495 3.090 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)n2)c1 ZINC000582217285 459327304 /nfs/dbraw/zinc/32/73/04/459327304.db2.gz ZWWPFMXTPIKXBN-AWEZNQCLSA-N 2 2 342.491 3.089 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)n2)c1 ZINC000582217286 459327589 /nfs/dbraw/zinc/32/75/89/459327589.db2.gz ZWWPFMXTPIKXBN-CQSZACIVSA-N 2 2 342.491 3.089 20 0 EGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000484181823 459408184 /nfs/dbraw/zinc/40/81/84/459408184.db2.gz XCJKTDLKSKWLIR-HUUCEWRRSA-N 2 2 340.895 3.358 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591868054 459459594 /nfs/dbraw/zinc/45/95/94/459459594.db2.gz WFXKMRIAXJBCRG-INIZCTEOSA-N 2 2 338.411 3.384 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)on2)cc1 ZINC000591868054 459459597 /nfs/dbraw/zinc/45/95/97/459459597.db2.gz WFXKMRIAXJBCRG-INIZCTEOSA-N 2 2 338.411 3.384 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591868346 459460321 /nfs/dbraw/zinc/46/03/21/459460321.db2.gz XHVMZGYTXQTNMQ-SJLPKXTDSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591868346 459460324 /nfs/dbraw/zinc/46/03/24/459460324.db2.gz XHVMZGYTXQTNMQ-SJLPKXTDSA-N 2 2 326.444 3.164 20 0 EGADLP CC(C)c1[nH+]c(CN(C)C(C)(C)C[NH+]2CCOCC2)c2ccccn21 ZINC000583208537 459501491 /nfs/dbraw/zinc/50/14/91/459501491.db2.gz GBAFBNZPPAQAMD-UHFFFAOYSA-N 2 2 344.503 3.000 20 0 EGADLP Cc1ccc(OCCC[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1C ZINC000569740286 459502999 /nfs/dbraw/zinc/50/29/99/459502999.db2.gz YNUDLEKLSBEXSQ-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP Cc1ccc(OCCC[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1C ZINC000569740286 459503004 /nfs/dbraw/zinc/50/30/04/459503004.db2.gz YNUDLEKLSBEXSQ-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP C[C@@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C1CCCC1 ZINC000526983352 459570858 /nfs/dbraw/zinc/57/08/58/459570858.db2.gz WVNNBCYQUPKMPB-OAHLLOKOSA-N 2 2 342.487 3.428 20 0 EGADLP CC(C)(C)CC[NH+]1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000542766244 459589889 /nfs/dbraw/zinc/58/98/89/459589889.db2.gz ILDMFXPAQJBFBK-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933730 459613190 /nfs/dbraw/zinc/61/31/90/459613190.db2.gz NHZVDOPBMOFXAY-APWZRJJASA-N 2 2 329.488 3.355 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933730 459613194 /nfs/dbraw/zinc/61/31/94/459613194.db2.gz NHZVDOPBMOFXAY-APWZRJJASA-N 2 2 329.488 3.355 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000573219338 459644908 /nfs/dbraw/zinc/64/49/08/459644908.db2.gz YEQSPVMVPQDUAK-AUUYWEPGSA-N 2 2 341.430 3.019 20 0 EGADLP C[C@H](C[NH2+]Cc1ncc(Cl)cc1Br)C[NH+]1CCCC1 ZINC000527641606 459681730 /nfs/dbraw/zinc/68/17/30/459681730.db2.gz UGWLFUJKOWYCPR-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000562984852 459685654 /nfs/dbraw/zinc/68/56/54/459685654.db2.gz LYMDFISGBUMDGC-IRXDYDNUSA-N 2 2 335.451 3.457 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)N(C)C)[NH+](CC)CC)cc1 ZINC000573584479 459701789 /nfs/dbraw/zinc/70/17/89/459701789.db2.gz LDXQQLNSHYEGEZ-VQIMIIECSA-N 2 2 333.520 3.088 20 0 EGADLP CCC1CC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000584306871 459706008 /nfs/dbraw/zinc/70/60/08/459706008.db2.gz IBVHAIICFGCGQK-UHFFFAOYSA-N 2 2 328.460 3.038 20 0 EGADLP CC(C)OC[C@@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000501424498 459726446 /nfs/dbraw/zinc/72/64/46/459726446.db2.gz PMLFOQBXRZYLTD-QGZVFWFLSA-N 2 2 326.525 3.203 20 0 EGADLP CC(C)OC[C@@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000501424498 459726451 /nfs/dbraw/zinc/72/64/51/459726451.db2.gz PMLFOQBXRZYLTD-QGZVFWFLSA-N 2 2 326.525 3.203 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000527954206 459781286 /nfs/dbraw/zinc/78/12/86/459781286.db2.gz ZQBODWWRBDLSRD-LJQANCHMSA-N 3 2 328.504 3.047 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000527954206 459781290 /nfs/dbraw/zinc/78/12/90/459781290.db2.gz ZQBODWWRBDLSRD-LJQANCHMSA-N 3 2 328.504 3.047 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000574162528 459786745 /nfs/dbraw/zinc/78/67/45/459786745.db2.gz MHELIJYMYMELMS-SFHVURJKSA-N 2 2 334.891 3.154 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007092 459795189 /nfs/dbraw/zinc/79/51/89/459795189.db2.gz BIMAOQXAHLWYBF-OXJNMPFZSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007092 459795194 /nfs/dbraw/zinc/79/51/94/459795194.db2.gz BIMAOQXAHLWYBF-OXJNMPFZSA-N 2 2 341.499 3.481 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000566244774 459828196 /nfs/dbraw/zinc/82/81/96/459828196.db2.gz MGLZASDUGYHDIY-KRWDZBQOSA-N 2 2 339.439 3.101 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000566244774 459828200 /nfs/dbraw/zinc/82/82/00/459828200.db2.gz MGLZASDUGYHDIY-KRWDZBQOSA-N 2 2 339.439 3.101 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519463 459829332 /nfs/dbraw/zinc/82/93/32/459829332.db2.gz KQRNUCWLEDKKDX-KXBFYZLASA-N 2 2 341.430 3.176 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519463 459829335 /nfs/dbraw/zinc/82/93/35/459829335.db2.gz KQRNUCWLEDKKDX-KXBFYZLASA-N 2 2 341.430 3.176 20 0 EGADLP C[C@@H](CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)n1cc[nH+]c1 ZINC000566331282 459843725 /nfs/dbraw/zinc/84/37/25/459843725.db2.gz PSEVNMAXMUNLNM-MSOLQXFVSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)n1cc[nH+]c1 ZINC000566331282 459843731 /nfs/dbraw/zinc/84/37/31/459843731.db2.gz PSEVNMAXMUNLNM-MSOLQXFVSA-N 2 2 346.519 3.337 20 0 EGADLP CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1(C[NH3+])CCC1 ZINC000574919246 459894252 /nfs/dbraw/zinc/89/42/52/459894252.db2.gz RYLMCPITEGRVTB-UHFFFAOYSA-N 2 2 345.830 3.481 20 0 EGADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000575172777 459939522 /nfs/dbraw/zinc/93/95/22/459939522.db2.gz CUOKUCYOXVDXGT-YSVLISHTSA-N 2 2 332.879 3.141 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)CC[C@@H]3CCC[NH2+]C3)ccc2n1C1CC1 ZINC000621664296 460001284 /nfs/dbraw/zinc/00/12/84/460001284.db2.gz QAITYCZZUJDBDS-HNNXBMFYSA-N 2 2 340.471 3.076 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C(=O)OC)ccc1Cl ZINC000589198053 460052406 /nfs/dbraw/zinc/05/24/06/460052406.db2.gz VAKBJXFFVWHWIY-UHFFFAOYSA-N 2 2 326.868 3.290 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C(=O)OC)ccc1Cl ZINC000589198053 460052412 /nfs/dbraw/zinc/05/24/12/460052412.db2.gz VAKBJXFFVWHWIY-UHFFFAOYSA-N 2 2 326.868 3.290 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000621760510 460055049 /nfs/dbraw/zinc/05/50/49/460055049.db2.gz MVOKCVSKECGFQU-PKOBYXMFSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c2ccccc21 ZINC000621760510 460055053 /nfs/dbraw/zinc/05/50/53/460055053.db2.gz MVOKCVSKECGFQU-PKOBYXMFSA-N 2 2 327.472 3.091 20 0 EGADLP CC[C@H](C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)[NH+](C)C ZINC000614354300 460110426 /nfs/dbraw/zinc/11/04/26/460110426.db2.gz TVMJODMPYNIZAN-QGZVFWFLSA-N 2 2 326.444 3.165 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2n1C ZINC000618670934 460122941 /nfs/dbraw/zinc/12/29/41/460122941.db2.gz WQOXNCMHPKVFPR-INIZCTEOSA-N 2 2 340.471 3.019 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)cc2n1C ZINC000618670934 460122949 /nfs/dbraw/zinc/12/29/49/460122949.db2.gz WQOXNCMHPKVFPR-INIZCTEOSA-N 2 2 340.471 3.019 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[NH2+]1 ZINC000625860734 460285720 /nfs/dbraw/zinc/28/57/20/460285720.db2.gz NJXGWIXOLPYARY-HIFRSBDPSA-N 2 2 326.400 3.136 20 0 EGADLP CCOc1ccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)cc1 ZINC000626087592 460365899 /nfs/dbraw/zinc/36/58/99/460365899.db2.gz TVFSIJOHYNUDMG-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP CCOc1ccccc1C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087286 460366068 /nfs/dbraw/zinc/36/60/68/460366068.db2.gz ITKWXLMJZZGFGH-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP CC(C)CC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000634554524 460419136 /nfs/dbraw/zinc/41/91/36/460419136.db2.gz CWYSWZLTYAWLSR-QGZVFWFLSA-N 2 2 344.459 3.005 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)C[NH+]1CCOCC1 ZINC000631583645 460457287 /nfs/dbraw/zinc/45/72/87/460457287.db2.gz ZVBJOPJSLYDKNY-SJORKVTESA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cn21 ZINC000631642737 460485531 /nfs/dbraw/zinc/48/55/31/460485531.db2.gz RRNJKLKBIRQGTO-WDSOQIARSA-N 2 2 325.456 3.123 20 0 EGADLP CN(C)c1c(C[NH2+]CCCCNc2cccc[nH+]2)ccc(F)c1F ZINC000623398837 460527245 /nfs/dbraw/zinc/52/72/45/460527245.db2.gz QGEQIEQKBBVOQG-UHFFFAOYSA-N 2 2 334.414 3.408 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000623418391 460537858 /nfs/dbraw/zinc/53/78/58/460537858.db2.gz PECXIXPBMQVBRQ-AWEZNQCLSA-N 2 2 348.434 3.500 20 0 EGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000623866422 460751078 /nfs/dbraw/zinc/75/10/78/460751078.db2.gz VPOYJCBHOBLYHI-INIZCTEOSA-N 2 2 328.485 3.170 20 0 EGADLP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876426 460761210 /nfs/dbraw/zinc/76/12/10/460761210.db2.gz YGPMISAQXGYIIY-JFIYKMOQSA-N 2 2 332.488 3.217 20 0 EGADLP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876426 460761216 /nfs/dbraw/zinc/76/12/16/460761216.db2.gz YGPMISAQXGYIIY-JFIYKMOQSA-N 2 2 332.488 3.217 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629564359 460811414 /nfs/dbraw/zinc/81/14/14/460811414.db2.gz SYCZAPHENRGHQF-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000629564359 460811416 /nfs/dbraw/zinc/81/14/16/460811416.db2.gz SYCZAPHENRGHQF-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(-c2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)on2)cc1 ZINC000607358462 460830787 /nfs/dbraw/zinc/83/07/87/460830787.db2.gz HGANNJHTLCTZTO-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)on2)cc1 ZINC000607358462 460830796 /nfs/dbraw/zinc/83/07/96/460830796.db2.gz HGANNJHTLCTZTO-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)on2)cc1 ZINC000607358462 460830800 /nfs/dbraw/zinc/83/08/00/460830800.db2.gz HGANNJHTLCTZTO-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP COc1ccc(-c2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)on2)cc1 ZINC000607358462 460830805 /nfs/dbraw/zinc/83/08/05/460830805.db2.gz HGANNJHTLCTZTO-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000629650962 460845687 /nfs/dbraw/zinc/84/56/87/460845687.db2.gz DTNKXOZSZSVXJX-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000629650962 460845692 /nfs/dbraw/zinc/84/56/92/460845692.db2.gz DTNKXOZSZSVXJX-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCc4ccccc43)c2cc1C ZINC000613342949 460915846 /nfs/dbraw/zinc/91/58/46/460915846.db2.gz MFZGZBUYTXRIAL-PKOBYXMFSA-N 2 2 335.451 3.291 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)ccn1 ZINC000621295506 460978709 /nfs/dbraw/zinc/97/87/09/460978709.db2.gz MOLKILRTWPBBET-GOSISDBHSA-N 2 2 338.455 3.039 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)ccn1 ZINC000621295506 460978713 /nfs/dbraw/zinc/97/87/13/460978713.db2.gz MOLKILRTWPBBET-GOSISDBHSA-N 2 2 338.455 3.039 20 0 EGADLP CCOc1cncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000621326072 460988676 /nfs/dbraw/zinc/98/86/76/460988676.db2.gz WUQSLYQZJNCKIR-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP Cc1[nH]c(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)[nH+]c1C ZINC000628121075 461008280 /nfs/dbraw/zinc/00/82/80/461008280.db2.gz PZTUMCSDKLEWIS-UHFFFAOYSA-N 2 2 326.488 3.468 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(-c2ccc(CN3CC[NH2+]CC3)s2)c1 ZINC000630051545 461011245 /nfs/dbraw/zinc/01/12/45/461011245.db2.gz DCPURDDOWDYOOG-UHFFFAOYSA-N 2 2 338.480 3.221 20 0 EGADLP CCCn1nccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146717 461133759 /nfs/dbraw/zinc/13/37/59/461133759.db2.gz OXJPHDAQQXQJCS-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCCn1nccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000668146717 461133763 /nfs/dbraw/zinc/13/37/63/461133763.db2.gz OXJPHDAQQXQJCS-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCCn1nccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000668146717 461133775 /nfs/dbraw/zinc/13/37/75/461133775.db2.gz OXJPHDAQQXQJCS-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCCn1nccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000668146717 461133783 /nfs/dbraw/zinc/13/37/83/461133783.db2.gz OXJPHDAQQXQJCS-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)cc2[nH+]1 ZINC000668152043 461138715 /nfs/dbraw/zinc/13/87/15/461138715.db2.gz XMXYWSVWOHEJCU-GJZGRUSLSA-N 2 2 329.448 3.027 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCCCCO)CC1 ZINC000637957117 461152940 /nfs/dbraw/zinc/15/29/40/461152940.db2.gz ZTOZWVDTBNFACB-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCCCCO)CC1 ZINC000637957117 461152952 /nfs/dbraw/zinc/15/29/52/461152952.db2.gz ZTOZWVDTBNFACB-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269980 461154757 /nfs/dbraw/zinc/15/47/57/461154757.db2.gz FVFFDOKJCSJIBL-PZJWPPBQSA-N 3 2 340.515 3.025 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269980 461154766 /nfs/dbraw/zinc/15/47/66/461154766.db2.gz FVFFDOKJCSJIBL-PZJWPPBQSA-N 3 2 340.515 3.025 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)n1C ZINC000668189816 461169541 /nfs/dbraw/zinc/16/95/41/461169541.db2.gz QAIIPTWWCULORX-UHFFFAOYSA-N 2 2 332.879 3.483 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)n1C ZINC000668189816 461169550 /nfs/dbraw/zinc/16/95/50/461169550.db2.gz QAIIPTWWCULORX-UHFFFAOYSA-N 2 2 332.879 3.483 20 0 EGADLP C[NH+]1CCN(c2ncccc2CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641310218 461213474 /nfs/dbraw/zinc/21/34/74/461213474.db2.gz CRWVOHPCLHDSFJ-UHFFFAOYSA-N 2 2 339.487 3.138 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000638132957 461263710 /nfs/dbraw/zinc/26/37/10/461263710.db2.gz IPLQYZOWSPYJBZ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000638132957 461263718 /nfs/dbraw/zinc/26/37/18/461263718.db2.gz IPLQYZOWSPYJBZ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000638132957 461263728 /nfs/dbraw/zinc/26/37/28/461263728.db2.gz IPLQYZOWSPYJBZ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000638132957 461263733 /nfs/dbraw/zinc/26/37/33/461263733.db2.gz IPLQYZOWSPYJBZ-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661701 461310596 /nfs/dbraw/zinc/31/05/96/461310596.db2.gz PWWLQQBAHRAVHZ-UHFFFAOYSA-N 2 2 342.487 3.069 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])ccc2n1C1CC1 ZINC000646561987 461333129 /nfs/dbraw/zinc/33/31/29/461333129.db2.gz SAVFNMBQPAPRRK-OXJNMPFZSA-N 2 2 340.471 3.203 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1O ZINC000668615986 461356391 /nfs/dbraw/zinc/35/63/91/461356391.db2.gz CLHWAKHJDNIABX-DLBZAZTESA-N 2 2 334.504 3.432 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000655680493 461360126 /nfs/dbraw/zinc/36/01/26/461360126.db2.gz MXCXXWVNRFXWAQ-ZOHWMCIKSA-N 2 2 332.532 3.434 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000655689731 461363275 /nfs/dbraw/zinc/36/32/75/461363275.db2.gz LXJWBMXPNFHERG-HNNXBMFYSA-N 2 2 346.368 3.187 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652870970 461394448 /nfs/dbraw/zinc/39/44/48/461394448.db2.gz SMEDXSUUEISONQ-UHFFFAOYSA-N 2 2 344.484 3.169 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000630909820 461406125 /nfs/dbraw/zinc/40/61/25/461406125.db2.gz CCPCONYUKFWLIU-SFHVURJKSA-N 2 2 338.455 3.167 20 0 EGADLP COCCCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655764547 461431098 /nfs/dbraw/zinc/43/10/98/461431098.db2.gz KQFBLCWBWJJITC-RTWAWAEBSA-N 2 2 346.515 3.387 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC2CCC1CC2 ZINC000638458082 461438532 /nfs/dbraw/zinc/43/85/32/461438532.db2.gz AIJAMLPRCBIPRB-GHQDRPGLSA-N 3 2 333.564 3.349 20 0 EGADLP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655777887 461440183 /nfs/dbraw/zinc/44/01/83/461440183.db2.gz YRNHCUXNPJSVFL-GOSISDBHSA-N 2 2 331.504 3.112 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000659876818 461475450 /nfs/dbraw/zinc/47/54/50/461475450.db2.gz GCKPLFIHOHGVJO-MTQWCTHYSA-N 2 2 347.547 3.022 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000659876818 461475453 /nfs/dbraw/zinc/47/54/53/461475453.db2.gz GCKPLFIHOHGVJO-MTQWCTHYSA-N 2 2 347.547 3.022 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccncc1Br ZINC000631034726 461487395 /nfs/dbraw/zinc/48/73/95/461487395.db2.gz AJDFCEYGNQPAHT-ZDUSSCGKSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccncc1Br ZINC000631034726 461487406 /nfs/dbraw/zinc/48/74/06/461487406.db2.gz AJDFCEYGNQPAHT-ZDUSSCGKSA-N 2 2 326.282 3.198 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000655840087 461490468 /nfs/dbraw/zinc/49/04/68/461490468.db2.gz HMWQSQZSDZNSDL-XEHJXZTKSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000655840087 461490475 /nfs/dbraw/zinc/49/04/75/461490475.db2.gz HMWQSQZSDZNSDL-XEHJXZTKSA-N 2 2 336.479 3.287 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1NC(C)=O ZINC000655849824 461496132 /nfs/dbraw/zinc/49/61/32/461496132.db2.gz ZAMCSBKOAKCHKN-YJLNNSPDSA-N 2 2 345.487 3.321 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1NC(C)=O ZINC000655849824 461496135 /nfs/dbraw/zinc/49/61/35/461496135.db2.gz ZAMCSBKOAKCHKN-YJLNNSPDSA-N 2 2 345.487 3.321 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000653092773 461498210 /nfs/dbraw/zinc/49/82/10/461498210.db2.gz KYMUIJHENHPXTA-IRXDYDNUSA-N 2 2 337.895 3.063 20 0 EGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccncc1Br)C(C)(C)C ZINC000631074522 461526582 /nfs/dbraw/zinc/52/65/82/461526582.db2.gz BWWYZZOQBMMINT-AWEZNQCLSA-N 2 2 328.298 3.300 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000631056245 461508556 /nfs/dbraw/zinc/50/85/56/461508556.db2.gz LSZRONVXOXEYHJ-ZDUSSCGKSA-N 2 2 326.868 3.177 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000631056245 461508567 /nfs/dbraw/zinc/50/85/67/461508567.db2.gz LSZRONVXOXEYHJ-ZDUSSCGKSA-N 2 2 326.868 3.177 20 0 EGADLP COc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000638672409 461528167 /nfs/dbraw/zinc/52/81/67/461528167.db2.gz YCXKGSPOFYVBNA-SWLSCSKDSA-N 2 2 337.514 3.386 20 0 EGADLP COc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000638672409 461528174 /nfs/dbraw/zinc/52/81/74/461528174.db2.gz YCXKGSPOFYVBNA-SWLSCSKDSA-N 2 2 337.514 3.386 20 0 EGADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343921 461572466 /nfs/dbraw/zinc/57/24/66/461572466.db2.gz JXEWAHGFKCXJTA-LJQANCHMSA-N 2 2 339.483 3.477 20 0 EGADLP c1onc(Cc2ccccc2)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343921 461572474 /nfs/dbraw/zinc/57/24/74/461572474.db2.gz JXEWAHGFKCXJTA-LJQANCHMSA-N 2 2 339.483 3.477 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112295 461585665 /nfs/dbraw/zinc/58/56/65/461585665.db2.gz JOKHCUQDQFNHME-KZNAEPCWSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112295 461585674 /nfs/dbraw/zinc/58/56/74/461585674.db2.gz JOKHCUQDQFNHME-KZNAEPCWSA-N 2 2 346.519 3.051 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000663365206 461593732 /nfs/dbraw/zinc/59/37/32/461593732.db2.gz OILMEEVULWHAHR-HNNXBMFYSA-N 2 2 343.393 3.108 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000663365206 461593739 /nfs/dbraw/zinc/59/37/39/461593739.db2.gz OILMEEVULWHAHR-HNNXBMFYSA-N 2 2 343.393 3.108 20 0 EGADLP Brc1cccc2c(N3CC[C@H]4CC[NH2+][C@@H]4C3)cc[nH+]c12 ZINC000643034225 461594146 /nfs/dbraw/zinc/59/41/46/461594146.db2.gz VSALZVNMCNXEPH-BXUZGUMPSA-N 2 2 332.245 3.186 20 0 EGADLP Brc1cccc2c(N3CC[C@@H]4CC[NH2+][C@H]4C3)cc[nH+]c12 ZINC000643034226 461594447 /nfs/dbraw/zinc/59/44/47/461594447.db2.gz VSALZVNMCNXEPH-FZMZJTMJSA-N 2 2 332.245 3.186 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000660128381 461598766 /nfs/dbraw/zinc/59/87/66/461598766.db2.gz LUMOLQHKOTXIDN-LBPRGKRZSA-N 2 2 325.334 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000660128381 461598773 /nfs/dbraw/zinc/59/87/73/461598773.db2.gz LUMOLQHKOTXIDN-LBPRGKRZSA-N 2 2 325.334 3.150 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cn(C)nc3C(C)(C)C)cn21 ZINC000647262732 461599881 /nfs/dbraw/zinc/59/98/81/461599881.db2.gz MIYYHJPDBBHQBV-UHFFFAOYSA-N 2 2 325.460 3.006 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000638823513 461600678 /nfs/dbraw/zinc/60/06/78/461600678.db2.gz UGYVAEWONRDUCI-ZVZYQTTQSA-N 2 2 339.487 3.386 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000638823513 461600684 /nfs/dbraw/zinc/60/06/84/461600684.db2.gz UGYVAEWONRDUCI-ZVZYQTTQSA-N 2 2 339.487 3.386 20 0 EGADLP Cc1[nH+]cc(CN[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)n1C ZINC000631190931 461630780 /nfs/dbraw/zinc/63/07/80/461630780.db2.gz KOAUGPKVGCAYSY-INIZCTEOSA-N 2 2 340.393 3.140 20 0 EGADLP c1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466152 461654634 /nfs/dbraw/zinc/65/46/34/461654634.db2.gz OOXNPYDOSJSOJJ-RXVVDRJESA-N 2 2 336.483 3.278 20 0 EGADLP c1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466152 461654640 /nfs/dbraw/zinc/65/46/40/461654640.db2.gz OOXNPYDOSJSOJJ-RXVVDRJESA-N 2 2 336.483 3.278 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)cn21 ZINC000647364659 461659509 /nfs/dbraw/zinc/65/95/09/461659509.db2.gz HSGIVEQIJQPAKH-HXUWFJFHSA-N 2 2 348.494 3.439 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cn21 ZINC000647364659 461659511 /nfs/dbraw/zinc/65/95/11/461659511.db2.gz HSGIVEQIJQPAKH-HXUWFJFHSA-N 2 2 348.494 3.439 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418372 461668463 /nfs/dbraw/zinc/66/84/63/461668463.db2.gz JWZNZRATMZKQDY-ZYSHUDEJSA-N 3 2 347.572 3.388 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3C[C@H]3C(F)(F)F)c[nH+]c12 ZINC000631260150 461680042 /nfs/dbraw/zinc/68/00/42/461680042.db2.gz JVMVRWOBVGXTLB-GHMZBOCLSA-N 2 2 348.166 3.446 20 0 EGADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656260554 461684458 /nfs/dbraw/zinc/68/44/58/461684458.db2.gz RCFHDGGGWTXGTO-LJQANCHMSA-N 2 2 347.503 3.106 20 0 EGADLP COCCC[NH+]1CCC(Nc2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000663527260 461690715 /nfs/dbraw/zinc/69/07/15/461690715.db2.gz GGDSMCJNMPWCKW-UHFFFAOYSA-N 2 2 341.459 3.133 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643377332 461712952 /nfs/dbraw/zinc/71/29/52/461712952.db2.gz CSQBXSWCPDQTQV-YOEHRIQHSA-N 2 2 344.421 3.157 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)c1 ZINC000663587474 461713511 /nfs/dbraw/zinc/71/35/11/461713511.db2.gz QFONJEJYJOKXDP-IBGZPJMESA-N 2 2 341.459 3.224 20 0 EGADLP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(SC)cc1OC ZINC000647482927 461729221 /nfs/dbraw/zinc/72/92/21/461729221.db2.gz KKKGGFDPWNHWEF-UHFFFAOYSA-N 2 2 336.501 3.142 20 0 EGADLP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(SC)cc1OC ZINC000647482927 461729230 /nfs/dbraw/zinc/72/92/30/461729230.db2.gz KKKGGFDPWNHWEF-UHFFFAOYSA-N 2 2 336.501 3.142 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](c2nccn2C)C2CC2)CC1 ZINC000639110559 461735044 /nfs/dbraw/zinc/73/50/44/461735044.db2.gz PAUGZQUDHWHSCC-GOSISDBHSA-N 2 2 326.444 3.118 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1C1CCCCC1 ZINC000643467624 461736864 /nfs/dbraw/zinc/73/68/64/461736864.db2.gz DMUSXLYHXJOBRL-SXLOBPIMSA-N 2 2 341.499 3.003 20 0 EGADLP COc1ccc([C@H]([NH2+]CC2(CO)CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643466196 461737292 /nfs/dbraw/zinc/73/72/92/461737292.db2.gz CVYPLBKFQUNJBY-OALUTQOASA-N 2 2 332.488 3.021 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591241 461745107 /nfs/dbraw/zinc/74/51/07/461745107.db2.gz XHJZTEAFYRUXQT-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591241 461745113 /nfs/dbraw/zinc/74/51/13/461745113.db2.gz XHJZTEAFYRUXQT-KBPBESRZSA-N 2 2 346.862 3.198 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000666664794 461747214 /nfs/dbraw/zinc/74/72/14/461747214.db2.gz MSFJBSUMXJLFRN-DOTOQJQBSA-N 2 2 345.491 3.053 20 0 EGADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000666664794 461747226 /nfs/dbraw/zinc/74/72/26/461747226.db2.gz MSFJBSUMXJLFRN-DOTOQJQBSA-N 2 2 345.491 3.053 20 0 EGADLP Clc1ccc2[nH+]c(Cn3cc(C[NH2+]C4CCCCC4)nn3)cn2c1 ZINC000656451371 461749306 /nfs/dbraw/zinc/74/93/06/461749306.db2.gz SKCXOBZBIJZCJR-UHFFFAOYSA-N 2 2 344.850 3.050 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000643521424 461752467 /nfs/dbraw/zinc/75/24/67/461752467.db2.gz HFUUKHPNZYAQIS-SWLSCSKDSA-N 2 2 333.867 3.022 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000643521423 461752835 /nfs/dbraw/zinc/75/28/35/461752835.db2.gz HFUUKHPNZYAQIS-IUODEOHRSA-N 2 2 333.867 3.022 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000643521422 461753149 /nfs/dbraw/zinc/75/31/49/461753149.db2.gz HFUUKHPNZYAQIS-DOMZBBRYSA-N 2 2 333.867 3.022 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643529982 461755472 /nfs/dbraw/zinc/75/54/72/461755472.db2.gz TWCWLGLRXYOIAN-UHOFOFEASA-N 2 2 341.293 3.257 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000643538903 461758691 /nfs/dbraw/zinc/75/86/91/461758691.db2.gz ZOVBYCRKMNHJCZ-OUJBWJOFSA-N 2 2 333.270 3.251 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000639145618 461760955 /nfs/dbraw/zinc/76/09/55/461760955.db2.gz UAZYXUKPNJWEHB-IRXDYDNUSA-N 2 2 332.879 3.417 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccn4cc[nH+]c4c3)ccc21 ZINC000653616615 461761755 /nfs/dbraw/zinc/76/17/55/461761755.db2.gz PJUBTYLIPVJXSB-GOSISDBHSA-N 2 2 349.438 3.205 20 0 EGADLP COc1ncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000639161615 461772835 /nfs/dbraw/zinc/77/28/35/461772835.db2.gz LIRCRLUREHCEJN-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP COc1ncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000639161615 461772842 /nfs/dbraw/zinc/77/28/42/461772842.db2.gz LIRCRLUREHCEJN-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP COc1ncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000639161615 461772849 /nfs/dbraw/zinc/77/28/49/461772849.db2.gz LIRCRLUREHCEJN-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP COc1ncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000639161615 461772855 /nfs/dbraw/zinc/77/28/55/461772855.db2.gz LIRCRLUREHCEJN-IBGZPJMESA-N 2 2 343.496 3.250 20 0 EGADLP C[C@@H](CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476647 461800965 /nfs/dbraw/zinc/80/09/65/461800965.db2.gz DKJYXFYHGVFVDB-FPOVZHCZSA-N 2 2 346.515 3.169 20 0 EGADLP C[C@@H](CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476647 461800971 /nfs/dbraw/zinc/80/09/71/461800971.db2.gz DKJYXFYHGVFVDB-FPOVZHCZSA-N 2 2 346.515 3.169 20 0 EGADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222042 461812126 /nfs/dbraw/zinc/81/21/26/461812126.db2.gz OCBAHSDKIZUGNV-NVXWUHKLSA-N 2 2 328.485 3.304 20 0 EGADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222042 461812130 /nfs/dbraw/zinc/81/21/30/461812130.db2.gz OCBAHSDKIZUGNV-NVXWUHKLSA-N 2 2 328.485 3.304 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691356 461844205 /nfs/dbraw/zinc/84/42/05/461844205.db2.gz RFJRCYIFRPOHKJ-FPOVZHCZSA-N 2 2 342.483 3.075 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691356 461844214 /nfs/dbraw/zinc/84/42/14/461844214.db2.gz RFJRCYIFRPOHKJ-FPOVZHCZSA-N 2 2 342.483 3.075 20 0 EGADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc(Cl)ccc1Cl ZINC000647814583 461847781 /nfs/dbraw/zinc/84/77/81/461847781.db2.gz UTSZMFZOKHUVIJ-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc(Cl)ccc1Cl ZINC000647814583 461847786 /nfs/dbraw/zinc/84/77/86/461847786.db2.gz UTSZMFZOKHUVIJ-UHFFFAOYSA-N 2 2 342.270 3.148 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000663867492 461847871 /nfs/dbraw/zinc/84/78/71/461847871.db2.gz NVZWRXJCTILACI-UHFFFAOYSA-N 2 2 336.439 3.382 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647814433 461848479 /nfs/dbraw/zinc/84/84/79/461848479.db2.gz NVMYUWOBWBWEBB-HXUWFJFHSA-N 2 2 343.515 3.106 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647814433 461848486 /nfs/dbraw/zinc/84/84/86/461848486.db2.gz NVMYUWOBWBWEBB-HXUWFJFHSA-N 2 2 343.515 3.106 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358729 461880469 /nfs/dbraw/zinc/88/04/69/461880469.db2.gz AOQTVTGJWXGKLJ-CRAIPNDOSA-N 2 2 325.456 3.410 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358729 461880476 /nfs/dbraw/zinc/88/04/76/461880476.db2.gz AOQTVTGJWXGKLJ-CRAIPNDOSA-N 2 2 325.456 3.410 20 0 EGADLP CC1([NH3+])CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000647926620 461890521 /nfs/dbraw/zinc/89/05/21/461890521.db2.gz GWZFUMTUBSGEQF-UHFFFAOYSA-N 2 2 347.684 3.295 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C3CCCC3)cs2)cc1 ZINC000666969753 461893118 /nfs/dbraw/zinc/89/31/18/461893118.db2.gz XYDUNBSYGMAEKF-KRWDZBQOSA-N 2 2 331.485 3.426 20 0 EGADLP CC[C@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647937838 461894840 /nfs/dbraw/zinc/89/48/40/461894840.db2.gz CYDUUEAYFARUBS-FXAWDEMLSA-N 2 2 343.515 3.412 20 0 EGADLP CC[C@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647937838 461894860 /nfs/dbraw/zinc/89/48/60/461894860.db2.gz CYDUUEAYFARUBS-FXAWDEMLSA-N 2 2 343.515 3.412 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647938929 461896540 /nfs/dbraw/zinc/89/65/40/461896540.db2.gz XDBOKXAWKPYUNS-UEKVPHQBSA-N 2 2 344.286 3.380 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647938929 461896546 /nfs/dbraw/zinc/89/65/46/461896546.db2.gz XDBOKXAWKPYUNS-UEKVPHQBSA-N 2 2 344.286 3.380 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000660653676 461904930 /nfs/dbraw/zinc/90/49/30/461904930.db2.gz CTJYYMLSIOORSQ-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000660653676 461904935 /nfs/dbraw/zinc/90/49/35/461904935.db2.gz CTJYYMLSIOORSQ-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)co2)cc1 ZINC000660653676 461904941 /nfs/dbraw/zinc/90/49/41/461904941.db2.gz CTJYYMLSIOORSQ-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)co2)cc1 ZINC000660653676 461904945 /nfs/dbraw/zinc/90/49/45/461904945.db2.gz CTJYYMLSIOORSQ-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710897 461905344 /nfs/dbraw/zinc/90/53/44/461905344.db2.gz CGFBOCDQBYMHLT-GXTWGEPZSA-N 2 2 335.521 3.172 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])c(C(C)C)nc2s1 ZINC000650710897 461905352 /nfs/dbraw/zinc/90/53/52/461905352.db2.gz CGFBOCDQBYMHLT-GXTWGEPZSA-N 2 2 335.521 3.172 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660655093 461905469 /nfs/dbraw/zinc/90/54/69/461905469.db2.gz KKRKJHYYSJJZQK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660655093 461905477 /nfs/dbraw/zinc/90/54/77/461905477.db2.gz KKRKJHYYSJJZQK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655093 461905486 /nfs/dbraw/zinc/90/54/86/461905486.db2.gz KKRKJHYYSJJZQK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655093 461905493 /nfs/dbraw/zinc/90/54/93/461905493.db2.gz KKRKJHYYSJJZQK-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958849 461908579 /nfs/dbraw/zinc/90/85/79/461908579.db2.gz HWFHDYJMOOOPTR-INIZCTEOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958849 461908582 /nfs/dbraw/zinc/90/85/82/461908582.db2.gz HWFHDYJMOOOPTR-INIZCTEOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958849 461908585 /nfs/dbraw/zinc/90/85/85/461908585.db2.gz HWFHDYJMOOOPTR-INIZCTEOSA-N 2 2 344.421 3.371 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000647958849 461908588 /nfs/dbraw/zinc/90/85/88/461908588.db2.gz HWFHDYJMOOOPTR-INIZCTEOSA-N 2 2 344.421 3.371 20 0 EGADLP Fc1cccc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)c1F ZINC000660665984 461914683 /nfs/dbraw/zinc/91/46/83/461914683.db2.gz WUATYGQZOGLEOJ-UHFFFAOYSA-N 2 2 337.458 3.353 20 0 EGADLP Fc1cccc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)c1F ZINC000660665984 461914688 /nfs/dbraw/zinc/91/46/88/461914688.db2.gz WUATYGQZOGLEOJ-UHFFFAOYSA-N 2 2 337.458 3.353 20 0 EGADLP CC(C)(C)n1cc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cn1 ZINC000660679520 461923152 /nfs/dbraw/zinc/92/31/52/461923152.db2.gz MNTUPWVDXBKHCK-UHFFFAOYSA-N 2 2 326.488 3.392 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000648013940 461942682 /nfs/dbraw/zinc/94/26/82/461942682.db2.gz WLLKWVFVQVMSGG-WMLDXEAASA-N 2 2 339.443 3.268 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000648013940 461942684 /nfs/dbraw/zinc/94/26/84/461942684.db2.gz WLLKWVFVQVMSGG-WMLDXEAASA-N 2 2 339.443 3.268 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)n1-c1ccccc1 ZINC000644420771 461951756 /nfs/dbraw/zinc/95/17/56/461951756.db2.gz CSOTZAZMDIVLEF-CZUORRHYSA-N 2 2 339.361 3.116 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000664138376 461955406 /nfs/dbraw/zinc/95/54/06/461955406.db2.gz PCUPZVOKOSANRZ-INIZCTEOSA-N 2 2 339.487 3.110 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000664138376 461955409 /nfs/dbraw/zinc/95/54/09/461955409.db2.gz PCUPZVOKOSANRZ-INIZCTEOSA-N 2 2 339.487 3.110 20 0 EGADLP Cc1c2ccccc2oc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644567618 461989074 /nfs/dbraw/zinc/98/90/74/461989074.db2.gz BZLVCEBCFQWVHE-GOSISDBHSA-N 2 2 338.451 3.324 20 0 EGADLP Cc1c2ccccc2oc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644567618 461989079 /nfs/dbraw/zinc/98/90/79/461989079.db2.gz BZLVCEBCFQWVHE-GOSISDBHSA-N 2 2 338.451 3.324 20 0 EGADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660855286 461996403 /nfs/dbraw/zinc/99/64/03/461996403.db2.gz NMNAMNGLRGGDJK-HNNXBMFYSA-N 2 2 342.487 3.073 20 0 EGADLP Cc1cc(C)n(CC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660854542 461997009 /nfs/dbraw/zinc/99/70/09/461997009.db2.gz YZQGMPNAGKNTHO-UHFFFAOYSA-N 2 2 337.471 3.331 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000644593461 462003145 /nfs/dbraw/zinc/00/31/45/462003145.db2.gz ZPNIRIOEVRVKSR-FUHWJXTLSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000644593461 462003152 /nfs/dbraw/zinc/00/31/52/462003152.db2.gz ZPNIRIOEVRVKSR-FUHWJXTLSA-N 2 2 344.503 3.128 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)co2)c1 ZINC000639657436 462041957 /nfs/dbraw/zinc/04/19/57/462041957.db2.gz YLUWRIBZSTUQEC-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)co2)c1 ZINC000639657436 462041959 /nfs/dbraw/zinc/04/19/59/462041959.db2.gz YLUWRIBZSTUQEC-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)co2)c1 ZINC000639657436 462041964 /nfs/dbraw/zinc/04/19/64/462041964.db2.gz YLUWRIBZSTUQEC-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)co2)c1 ZINC000639657436 462041970 /nfs/dbraw/zinc/04/19/70/462041970.db2.gz YLUWRIBZSTUQEC-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(F)c1F ZINC000657319204 462042348 /nfs/dbraw/zinc/04/23/48/462042348.db2.gz VEGVYULIUHSEMV-UHFFFAOYSA-N 2 2 335.373 3.253 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CCC2 ZINC000657338573 462058548 /nfs/dbraw/zinc/05/85/48/462058548.db2.gz QGXACYLPQRIXHB-UHFFFAOYSA-N 3 2 338.499 3.495 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657351771 462066206 /nfs/dbraw/zinc/06/62/06/462066206.db2.gz FDLGOOZILFSLNF-IBGZPJMESA-N 2 2 326.488 3.118 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657351771 462066208 /nfs/dbraw/zinc/06/62/08/462066208.db2.gz FDLGOOZILFSLNF-IBGZPJMESA-N 2 2 326.488 3.118 20 0 EGADLP COC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C(F)(F)F)c1 ZINC000657363767 462073620 /nfs/dbraw/zinc/07/36/20/462073620.db2.gz BLGXTFCYINUHSB-OAHLLOKOSA-N 2 2 339.361 3.325 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]CCCc1nc(-c3ccncc3)cs1)CCC2 ZINC000657366189 462074411 /nfs/dbraw/zinc/07/44/11/462074411.db2.gz JAKWTHINBYDUSK-UHFFFAOYSA-N 2 2 339.468 3.070 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)[C@@H]1c1cccs1 ZINC000657374155 462079857 /nfs/dbraw/zinc/07/98/57/462079857.db2.gz FWQSGEOFDMWEFL-KBXCAEBGSA-N 2 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)[C@@H]1c1cccs1 ZINC000657374155 462079862 /nfs/dbraw/zinc/07/98/62/462079862.db2.gz FWQSGEOFDMWEFL-KBXCAEBGSA-N 2 2 330.501 3.064 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1cccs1 ZINC000657374155 462079865 /nfs/dbraw/zinc/07/98/65/462079865.db2.gz FWQSGEOFDMWEFL-KBXCAEBGSA-N 3 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1c1cccs1 ZINC000657374155 462079869 /nfs/dbraw/zinc/07/98/69/462079869.db2.gz FWQSGEOFDMWEFL-KBXCAEBGSA-N 3 2 330.501 3.064 20 0 EGADLP Clc1ccc2sc(CC[NH2+]Cc3c[nH+]c4n3CCC4)nc2c1 ZINC000657392864 462093662 /nfs/dbraw/zinc/09/36/62/462093662.db2.gz YYVUPBRGNCLJPH-UHFFFAOYSA-N 2 2 332.860 3.425 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651138791 462103471 /nfs/dbraw/zinc/10/34/71/462103471.db2.gz RJFXADFJSMDEJE-MRXNPFEDSA-N 2 2 349.523 3.308 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000651138791 462103476 /nfs/dbraw/zinc/10/34/76/462103476.db2.gz RJFXADFJSMDEJE-MRXNPFEDSA-N 2 2 349.523 3.308 20 0 EGADLP C[C@@H]1C[C@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667617893 462174684 /nfs/dbraw/zinc/17/46/84/462174684.db2.gz DOIQATAXPJHVOO-IEBWSBKVSA-N 2 2 338.499 3.314 20 0 EGADLP C[C@@H]1C[C@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667617893 462174687 /nfs/dbraw/zinc/17/46/87/462174687.db2.gz DOIQATAXPJHVOO-IEBWSBKVSA-N 2 2 338.499 3.314 20 0 EGADLP CCOc1cccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000657649860 462215863 /nfs/dbraw/zinc/21/58/63/462215863.db2.gz WVWMJYDUCYRFHE-GOSISDBHSA-N 2 2 336.439 3.287 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NCCc3[nH+]c4ccc(F)cc4n3C)c2c1C ZINC000645175096 462216703 /nfs/dbraw/zinc/21/67/03/462216703.db2.gz RRCZLAAFQAQVTI-UHFFFAOYSA-N 2 2 338.390 3.255 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706847 462224102 /nfs/dbraw/zinc/22/41/02/462224102.db2.gz JPCNCOLVVYSLDB-SUMDDJOVSA-N 2 2 348.462 3.050 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706847 462224106 /nfs/dbraw/zinc/22/41/06/462224106.db2.gz JPCNCOLVVYSLDB-SUMDDJOVSA-N 2 2 348.462 3.050 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000667705290 462224881 /nfs/dbraw/zinc/22/48/81/462224881.db2.gz AJRPWEFELVAWEB-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000667705290 462224886 /nfs/dbraw/zinc/22/48/86/462224886.db2.gz AJRPWEFELVAWEB-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000667705290 462224890 /nfs/dbraw/zinc/22/48/90/462224890.db2.gz AJRPWEFELVAWEB-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000667705290 462224894 /nfs/dbraw/zinc/22/48/94/462224894.db2.gz AJRPWEFELVAWEB-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000657741834 462248020 /nfs/dbraw/zinc/24/80/20/462248020.db2.gz JGWBKCGAEDGUPT-MRXNPFEDSA-N 2 2 349.906 3.019 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000657741834 462248026 /nfs/dbraw/zinc/24/80/26/462248026.db2.gz JGWBKCGAEDGUPT-MRXNPFEDSA-N 2 2 349.906 3.019 20 0 EGADLP CCC[C@@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000667758903 462249142 /nfs/dbraw/zinc/24/91/42/462249142.db2.gz SORQCPPRXPRAMQ-LJQANCHMSA-N 2 2 326.488 3.215 20 0 EGADLP CCC[C@@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@H+]1Cc1ccccc1 ZINC000667758903 462249147 /nfs/dbraw/zinc/24/91/47/462249147.db2.gz SORQCPPRXPRAMQ-LJQANCHMSA-N 2 2 326.488 3.215 20 0 EGADLP CCCCOc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751443 462251559 /nfs/dbraw/zinc/25/15/59/462251559.db2.gz JGVLCTVJEDZBSP-IBGZPJMESA-N 2 2 332.488 3.208 20 0 EGADLP CCc1cccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)oc21 ZINC000657751440 462251855 /nfs/dbraw/zinc/25/18/55/462251855.db2.gz JGLRUNFIDMKPMB-SFHVURJKSA-N 2 2 328.456 3.338 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236112 462363226 /nfs/dbraw/zinc/36/32/26/462363226.db2.gz HMSRBBNLVRJYPH-WOJBJXKFSA-N 2 2 336.483 3.265 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1O ZINC000665258885 462373519 /nfs/dbraw/zinc/37/35/19/462373519.db2.gz OFQOIIHDVQSHDN-FSPWUOQZSA-N 2 2 344.430 3.336 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000654757654 462374163 /nfs/dbraw/zinc/37/41/63/462374163.db2.gz DAYSTNOEWDZINI-QZTJIDSGSA-N 2 2 349.906 3.030 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCCC[C@@H]3[C@@H](C)C[NH+](C)C)cc2[nH+]1 ZINC000640372290 462376785 /nfs/dbraw/zinc/37/67/85/462376785.db2.gz GUCZVTDHZLJJKO-WMLDXEAASA-N 2 2 343.475 3.227 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000665296751 462390555 /nfs/dbraw/zinc/39/05/55/462390555.db2.gz XKPQZYHJUGOOKP-IUODEOHRSA-N 2 2 331.485 3.394 20 0 EGADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OC1CCCC1 ZINC000658123190 462395325 /nfs/dbraw/zinc/39/53/25/462395325.db2.gz IQELZONURCLKFE-INIZCTEOSA-N 2 2 334.426 3.341 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000665422734 462443590 /nfs/dbraw/zinc/44/35/90/462443590.db2.gz WPZZLOJEJYFKOH-UHFFFAOYSA-N 2 2 338.455 3.386 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286932 462455577 /nfs/dbraw/zinc/45/55/77/462455577.db2.gz DMQRUNOAELEMPJ-KBXCAEBGSA-N 2 2 330.476 3.105 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286932 462455582 /nfs/dbraw/zinc/45/55/82/462455582.db2.gz DMQRUNOAELEMPJ-KBXCAEBGSA-N 2 2 330.476 3.105 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252814 462455933 /nfs/dbraw/zinc/45/59/33/462455933.db2.gz HCRPCEFDZLFDQL-SFHLNBCPSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252814 462455936 /nfs/dbraw/zinc/45/59/36/462455936.db2.gz HCRPCEFDZLFDQL-SFHLNBCPSA-N 2 2 327.516 3.318 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286941 462456094 /nfs/dbraw/zinc/45/60/94/462456094.db2.gz DMQRUNOAELEMPJ-RDTXWAMCSA-N 2 2 330.476 3.105 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286941 462456102 /nfs/dbraw/zinc/45/61/02/462456102.db2.gz DMQRUNOAELEMPJ-RDTXWAMCSA-N 2 2 330.476 3.105 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000658292713 462460168 /nfs/dbraw/zinc/46/01/68/462460168.db2.gz ACKMNNMMBFQDTE-IEBWSBKVSA-N 2 2 332.488 3.298 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000658293446 462460262 /nfs/dbraw/zinc/46/02/62/462460262.db2.gz HDWDNKPUZPULEF-CJNGLKHVSA-N 2 2 338.879 3.253 20 0 EGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658292730 462460695 /nfs/dbraw/zinc/46/06/95/462460695.db2.gz AJNGKZKSPWYLQD-ACRUOGEOSA-N 2 2 328.500 3.474 20 0 EGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000649302105 462472766 /nfs/dbraw/zinc/47/27/66/462472766.db2.gz WXSKITRKRJCRKC-QGZVFWFLSA-N 2 2 326.444 3.198 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000658327374 462478718 /nfs/dbraw/zinc/47/87/18/462478718.db2.gz BLSPGSZGDVCEDT-HXUWFJFHSA-N 2 2 331.504 3.231 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662055346 462514562 /nfs/dbraw/zinc/51/45/62/462514562.db2.gz MIBQDNTZORNDAH-DOMZBBRYSA-N 2 2 331.287 3.491 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662055346 462514564 /nfs/dbraw/zinc/51/45/64/462514564.db2.gz MIBQDNTZORNDAH-DOMZBBRYSA-N 2 2 331.287 3.491 20 0 EGADLP COC(=O)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000347968156 536346383 /nfs/dbraw/zinc/34/63/83/536346383.db2.gz UMJPSPISTRNHBQ-IBGZPJMESA-N 2 2 341.455 3.474 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000351409948 536357434 /nfs/dbraw/zinc/35/74/34/536357434.db2.gz JDFGGGRNIJQZBD-IBGZPJMESA-N 2 2 338.499 3.231 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000351409948 536357436 /nfs/dbraw/zinc/35/74/36/536357436.db2.gz JDFGGGRNIJQZBD-IBGZPJMESA-N 2 2 338.499 3.231 20 0 EGADLP COc1ccc(F)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)c1 ZINC000353011185 536598212 /nfs/dbraw/zinc/59/82/12/536598212.db2.gz YOCUSEVQGJZYRW-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)c1 ZINC000353011185 536598214 /nfs/dbraw/zinc/59/82/14/536598214.db2.gz YOCUSEVQGJZYRW-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)c1 ZINC000353011185 536598218 /nfs/dbraw/zinc/59/82/18/536598218.db2.gz YOCUSEVQGJZYRW-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)c1 ZINC000353011185 536598223 /nfs/dbraw/zinc/59/82/23/536598223.db2.gz YOCUSEVQGJZYRW-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092728556 546678466 /nfs/dbraw/zinc/67/84/66/546678466.db2.gz BCEBJZQEEQCJSA-GOSISDBHSA-N 2 2 328.460 3.077 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000092728556 546678468 /nfs/dbraw/zinc/67/84/68/546678468.db2.gz BCEBJZQEEQCJSA-GOSISDBHSA-N 2 2 328.460 3.077 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000151120462 546851502 /nfs/dbraw/zinc/85/15/02/546851502.db2.gz HLOKKLNXCAJOPQ-MRXNPFEDSA-N 2 2 349.438 3.323 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000163687885 546974050 /nfs/dbraw/zinc/97/40/50/546974050.db2.gz MYBWKVGRTZWFFD-HUUCEWRRSA-N 2 2 347.528 3.489 20 0 EGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccccc1OC(F)F ZINC000163713328 546974702 /nfs/dbraw/zinc/97/47/02/546974702.db2.gz VNFUTWLKRMDHIY-MRXNPFEDSA-N 2 2 342.430 3.440 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000166306718 546986910 /nfs/dbraw/zinc/98/69/10/546986910.db2.gz JMSJOXDGMWICSQ-IAGOWNOFSA-N 3 2 328.435 3.036 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000166306718 546986918 /nfs/dbraw/zinc/98/69/18/546986918.db2.gz JMSJOXDGMWICSQ-IAGOWNOFSA-N 3 2 328.435 3.036 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000189280414 547158208 /nfs/dbraw/zinc/15/82/08/547158208.db2.gz GFKNWGMPQZOHHN-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000189280414 547158212 /nfs/dbraw/zinc/15/82/12/547158212.db2.gz GFKNWGMPQZOHHN-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP C[C@H](CC[N@H+](C)CCc1nccs1)[NH+](C)CCc1nccs1 ZINC000269875964 547341894 /nfs/dbraw/zinc/34/18/94/547341894.db2.gz IZWXUULXNKBOKM-CQSZACIVSA-N 2 2 338.546 3.027 20 0 EGADLP C[C@H](CC[N@@H+](C)CCc1nccs1)[NH+](C)CCc1nccs1 ZINC000269875964 547341897 /nfs/dbraw/zinc/34/18/97/547341897.db2.gz IZWXUULXNKBOKM-CQSZACIVSA-N 2 2 338.546 3.027 20 0 EGADLP C[C@H](CC[NH+](C)CCc1nccs1)[N@H+](C)CCc1nccs1 ZINC000269875964 547341898 /nfs/dbraw/zinc/34/18/98/547341898.db2.gz IZWXUULXNKBOKM-CQSZACIVSA-N 2 2 338.546 3.027 20 0 EGADLP C[C@H](CC[NH+](C)CCc1nccs1)[N@@H+](C)CCc1nccs1 ZINC000269875964 547341901 /nfs/dbraw/zinc/34/19/01/547341901.db2.gz IZWXUULXNKBOKM-CQSZACIVSA-N 2 2 338.546 3.027 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000341684204 547589068 /nfs/dbraw/zinc/58/90/68/547589068.db2.gz OYDPXLFOMRNDBE-BNDYYXHWSA-N 2 2 348.531 3.142 20 0 EGADLP COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000347444050 547624609 /nfs/dbraw/zinc/62/46/09/547624609.db2.gz ISEOVBPQWGPVRM-SFHVURJKSA-N 2 2 326.444 3.351 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000425950884 547886215 /nfs/dbraw/zinc/88/62/15/547886215.db2.gz LIQQNSOBPPNDRA-OLZOCXBDSA-N 2 2 335.883 3.077 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985396 548243496 /nfs/dbraw/zinc/24/34/96/548243496.db2.gz BLXVNWQEOFFLGR-QUCCMNQESA-N 2 2 332.463 3.390 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCC2 ZINC000670985396 548243501 /nfs/dbraw/zinc/24/35/01/548243501.db2.gz BLXVNWQEOFFLGR-QUCCMNQESA-N 2 2 332.463 3.390 20 0 EGADLP Clc1ccc(CCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670986776 548244204 /nfs/dbraw/zinc/24/42/04/548244204.db2.gz XTLFBPMMOXTLHO-IBGZPJMESA-N 2 2 336.907 3.459 20 0 EGADLP Clc1ccc(CCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670986776 548244207 /nfs/dbraw/zinc/24/42/07/548244207.db2.gz XTLFBPMMOXTLHO-IBGZPJMESA-N 2 2 336.907 3.459 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671242668 548266488 /nfs/dbraw/zinc/26/64/88/548266488.db2.gz DBBNQJMQUDMGKO-BEFAXECRSA-N 2 2 343.471 3.233 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671242668 548266491 /nfs/dbraw/zinc/26/64/91/548266491.db2.gz DBBNQJMQUDMGKO-BEFAXECRSA-N 2 2 343.471 3.233 20 0 EGADLP c1n[nH]c2cc(CC[NH2+]C3CC[NH+](C4CCCCC4)CC3)ccc12 ZINC000671301227 548275044 /nfs/dbraw/zinc/27/50/44/548275044.db2.gz CATYNTYWTLSFJA-UHFFFAOYSA-N 2 2 326.488 3.492 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671686052 548333950 /nfs/dbraw/zinc/33/39/50/548333950.db2.gz WUUXSERPFPNZPV-MRXNPFEDSA-N 2 2 342.487 3.154 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3cccc(-n4ccnn4)c3)[nH+]c12 ZINC000672604272 548452297 /nfs/dbraw/zinc/45/22/97/548452297.db2.gz DKRSDGGCPFSQHM-MRXNPFEDSA-N 2 2 346.438 3.117 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@H](CO)c3ccc(Cl)cc3)c[nH+]c12 ZINC000673618286 548583658 /nfs/dbraw/zinc/58/36/58/548583658.db2.gz XWBJWQYVDHBFQB-OAHLLOKOSA-N 2 2 329.831 3.162 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccc(F)c3F)c2cc1C ZINC000674717673 548787395 /nfs/dbraw/zinc/78/73/95/548787395.db2.gz OXAZGMYSOYSIAP-OAHLLOKOSA-N 2 2 345.393 3.082 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000675829662 548990983 /nfs/dbraw/zinc/99/09/83/548990983.db2.gz LMJDKJYQVHIENB-IEBWSBKVSA-N 2 2 332.875 3.136 20 0 EGADLP CC(C)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000675882839 548996245 /nfs/dbraw/zinc/99/62/45/548996245.db2.gz VBXIEXWZHBTEKM-CRAIPNDOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)on1 ZINC000675882839 548996249 /nfs/dbraw/zinc/99/62/49/548996249.db2.gz VBXIEXWZHBTEKM-CRAIPNDOSA-N 2 2 328.460 3.193 20 0 EGADLP COc1ccc(F)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882610 548996658 /nfs/dbraw/zinc/99/66/58/548996658.db2.gz STHKNHMHWFHORI-WMLDXEAASA-N 2 2 336.451 3.128 20 0 EGADLP CCCOc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676477328 549094000 /nfs/dbraw/zinc/09/40/00/549094000.db2.gz HLQGRDKTXSVTIJ-QGZVFWFLSA-N 2 2 329.444 3.388 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676477328 549094002 /nfs/dbraw/zinc/09/40/02/549094002.db2.gz HLQGRDKTXSVTIJ-QGZVFWFLSA-N 2 2 329.444 3.388 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000678235518 549436145 /nfs/dbraw/zinc/43/61/45/549436145.db2.gz KSAAICQJPCQWJM-GOSISDBHSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000678235518 549436147 /nfs/dbraw/zinc/43/61/47/549436147.db2.gz KSAAICQJPCQWJM-GOSISDBHSA-N 2 2 325.391 3.045 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC(F)F ZINC000678235203 549436199 /nfs/dbraw/zinc/43/61/99/549436199.db2.gz PJEJEDHJFIMZFW-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC(F)F ZINC000678235203 549436202 /nfs/dbraw/zinc/43/62/02/549436202.db2.gz PJEJEDHJFIMZFW-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)cc1 ZINC000678302190 549464811 /nfs/dbraw/zinc/46/48/11/549464811.db2.gz BEWSFTZOJXVBDZ-UHFFFAOYSA-N 2 2 337.423 3.138 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584338 549524083 /nfs/dbraw/zinc/52/40/83/549524083.db2.gz RZNHLTFJYJWMJC-GUYCJALGSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584338 549524086 /nfs/dbraw/zinc/52/40/86/549524086.db2.gz RZNHLTFJYJWMJC-GUYCJALGSA-N 2 2 337.305 3.454 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3cccs3)c2cc1C ZINC000678586308 549525045 /nfs/dbraw/zinc/52/50/45/549525045.db2.gz DRYWCZYGCQQRIC-CABCVRRESA-N 2 2 329.469 3.426 20 0 EGADLP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782196 549560988 /nfs/dbraw/zinc/56/09/88/549560988.db2.gz JKQJRFCJRZZMMK-HZPDHXFCSA-N 2 2 330.394 3.467 20 0 EGADLP COC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782196 549560992 /nfs/dbraw/zinc/56/09/92/549560992.db2.gz JKQJRFCJRZZMMK-HZPDHXFCSA-N 2 2 330.394 3.467 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678992116 549612384 /nfs/dbraw/zinc/61/23/84/549612384.db2.gz BWCJAYOKTUCCNV-RHSMWYFYSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678992116 549612387 /nfs/dbraw/zinc/61/23/87/549612387.db2.gz BWCJAYOKTUCCNV-RHSMWYFYSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678992116 549612388 /nfs/dbraw/zinc/61/23/88/549612388.db2.gz BWCJAYOKTUCCNV-RHSMWYFYSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678992116 549612390 /nfs/dbraw/zinc/61/23/90/549612390.db2.gz BWCJAYOKTUCCNV-RHSMWYFYSA-N 2 2 331.529 3.471 20 0 EGADLP Cc1ncc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000679081019 549631902 /nfs/dbraw/zinc/63/19/02/549631902.db2.gz UZMASHUHHPPVMC-WFASDCNBSA-N 2 2 331.489 3.160 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000679364618 549697068 /nfs/dbraw/zinc/69/70/68/549697068.db2.gz HYCNMIDUZLDITI-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000679364618 549697070 /nfs/dbraw/zinc/69/70/70/549697070.db2.gz HYCNMIDUZLDITI-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000679364618 549697072 /nfs/dbraw/zinc/69/70/72/549697072.db2.gz HYCNMIDUZLDITI-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000679364618 549697073 /nfs/dbraw/zinc/69/70/73/549697073.db2.gz HYCNMIDUZLDITI-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679770327 549774337 /nfs/dbraw/zinc/77/43/37/549774337.db2.gz MOZFPSYGDXOTMC-PKOBYXMFSA-N 2 2 348.462 3.272 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c[nH+]1 ZINC000684358438 550318880 /nfs/dbraw/zinc/31/88/80/550318880.db2.gz WAXIVEJECFIMHX-UHFFFAOYSA-N 2 2 343.515 3.484 20 0 EGADLP COc1cc(NCC[NH2+]CCCc2ccc(C)[nH+]c2)cc(OC)c1 ZINC000684385397 550322676 /nfs/dbraw/zinc/32/26/76/550322676.db2.gz HASPRMKRUWLPEU-UHFFFAOYSA-N 2 2 329.444 3.042 20 0 EGADLP Oc1cccc2c(N3CC[NH+](Cc4ccsc4)CC3)cc[nH+]c12 ZINC000684566805 550343484 /nfs/dbraw/zinc/34/34/84/550343484.db2.gz SMFKJOUPRFKLIF-UHFFFAOYSA-N 2 2 325.437 3.324 20 0 EGADLP CCc1nn(C)cc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443074 550417378 /nfs/dbraw/zinc/41/73/78/550417378.db2.gz QCUJIZCFZSQUSA-NRFANRHFSA-N 2 2 338.499 3.081 20 0 EGADLP CCc1nn(C)cc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443074 550417379 /nfs/dbraw/zinc/41/73/79/550417379.db2.gz QCUJIZCFZSQUSA-NRFANRHFSA-N 2 2 338.499 3.081 20 0 EGADLP CCc1nn(C)cc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000685443074 550417380 /nfs/dbraw/zinc/41/73/80/550417380.db2.gz QCUJIZCFZSQUSA-NRFANRHFSA-N 2 2 338.499 3.081 20 0 EGADLP CCc1nn(C)cc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000685443074 550417381 /nfs/dbraw/zinc/41/73/81/550417381.db2.gz QCUJIZCFZSQUSA-NRFANRHFSA-N 2 2 338.499 3.081 20 0 EGADLP c1cc(N2CCCC2)nc(NCc2ccc(N3CCCCC3)[nH+]c2)[nH+]1 ZINC000733186990 575318218 /nfs/dbraw/zinc/31/82/18/575318218.db2.gz JPVFGOGQRDLRAT-UHFFFAOYSA-N 2 2 338.459 3.074 20 0 EGADLP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000678697729 576169775 /nfs/dbraw/zinc/16/97/75/576169775.db2.gz KZNDDEMTSFJFRL-IBGZPJMESA-N 2 2 335.495 3.441 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)c(Cl)nc21 ZINC000742374793 576775530 /nfs/dbraw/zinc/77/55/30/576775530.db2.gz HBBDAVSZHFMMIB-SWLSCSKDSA-N 2 2 335.883 3.238 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(Cl)nc21 ZINC000742374793 576775531 /nfs/dbraw/zinc/77/55/31/576775531.db2.gz HBBDAVSZHFMMIB-SWLSCSKDSA-N 2 2 335.883 3.238 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000010435294 1291114087 /nfs/dbraw/zinc/11/40/87/1291114087.db2.gz VOWMHOISFVDLCZ-UHFFFAOYSA-N 2 2 340.467 3.458 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054357 1291391586 /nfs/dbraw/zinc/39/15/86/1291391586.db2.gz MXKBCOJUXRYONM-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP Cn1c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)nc2ccccc21 ZINC000066971877 1292137197 /nfs/dbraw/zinc/13/71/97/1292137197.db2.gz RUCMGWSNDGGPMG-UHFFFAOYSA-N 2 2 331.423 3.108 20 0 EGADLP Clc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000069747475 1292249749 /nfs/dbraw/zinc/24/97/49/1292249749.db2.gz WTDHVLITQXYZOU-UHFFFAOYSA-N 2 2 330.859 3.462 20 0 EGADLP C[C@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078819337 1292528514 /nfs/dbraw/zinc/52/85/14/1292528514.db2.gz VPSAPBYGWCPNJJ-ZDUSSCGKSA-N 2 2 327.457 3.246 20 0 EGADLP Cc1cn2c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)c(C)nc2s1 ZINC000107044567 1293059326 /nfs/dbraw/zinc/05/93/26/1293059326.db2.gz AIBIHIKYNPBSSZ-UHFFFAOYSA-N 2 2 337.452 3.488 20 0 EGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)c(F)c2)nc[nH+]1 ZINC000109070232 1293087150 /nfs/dbraw/zinc/08/71/50/1293087150.db2.gz DGXUZLSJNIHACC-ZDUSSCGKSA-N 2 2 349.841 3.069 20 0 EGADLP COc1cc[nH+]cc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000119158001 1293257291 /nfs/dbraw/zinc/25/72/91/1293257291.db2.gz FCDPFZNKNGMAPJ-UHFFFAOYSA-N 2 2 327.428 3.177 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(SC)cc1OC ZINC000120320175 1293315165 /nfs/dbraw/zinc/31/51/65/1293315165.db2.gz DZWYDQPVEKCYJT-UHFFFAOYSA-N 2 2 338.517 3.388 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000128656975 1293600194 /nfs/dbraw/zinc/60/01/94/1293600194.db2.gz KXCUCIKGZLWMND-KGLIPLIRSA-N 2 2 341.293 3.420 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH2+]CC1 ZINC000163543803 1294335808 /nfs/dbraw/zinc/33/58/08/1294335808.db2.gz NTHQXLISNGOMPG-CVEARBPZSA-N 2 2 340.471 3.075 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000163583330 1294336252 /nfs/dbraw/zinc/33/62/52/1294336252.db2.gz QGJSVSSOPZPPMI-UHFFFAOYSA-N 2 2 347.503 3.043 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167070227 1294365220 /nfs/dbraw/zinc/36/52/20/1294365220.db2.gz JDRZSSBTRVFZOF-IAGOWNOFSA-N 2 2 339.524 3.191 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167070227 1294365225 /nfs/dbraw/zinc/36/52/25/1294365225.db2.gz JDRZSSBTRVFZOF-IAGOWNOFSA-N 2 2 339.524 3.191 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177491499 1294674330 /nfs/dbraw/zinc/67/43/30/1294674330.db2.gz BGJFGPSROVACPA-CVEARBPZSA-N 2 2 327.513 3.094 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177491499 1294674344 /nfs/dbraw/zinc/67/43/44/1294674344.db2.gz BGJFGPSROVACPA-CVEARBPZSA-N 2 2 327.513 3.094 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183420262 1295117401 /nfs/dbraw/zinc/11/74/01/1295117401.db2.gz KQFNMPUSHBNPSZ-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000183420262 1295117408 /nfs/dbraw/zinc/11/74/08/1295117408.db2.gz KQFNMPUSHBNPSZ-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000236924033 1296211632 /nfs/dbraw/zinc/21/16/32/1296211632.db2.gz RRXYANCIYBQOQV-INIZCTEOSA-N 2 2 330.472 3.322 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000246218003 1296343337 /nfs/dbraw/zinc/34/33/37/1296343337.db2.gz AYUVVWDJWZOGIB-HLLBOEOZSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000246218003 1296343346 /nfs/dbraw/zinc/34/33/46/1296343346.db2.gz AYUVVWDJWZOGIB-HLLBOEOZSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1F ZINC000872058561 1296706248 /nfs/dbraw/zinc/70/62/48/1296706248.db2.gz VRTCLNZUGFUAAE-DZGCQCFKSA-N 2 2 344.434 3.240 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000301516139 1296789823 /nfs/dbraw/zinc/78/98/23/1296789823.db2.gz SWGFBKRFRQJFSN-DLBZAZTESA-N 2 2 339.524 3.288 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309991895 1297080581 /nfs/dbraw/zinc/08/05/81/1297080581.db2.gz DUYPKZLAHIPRGZ-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044916 1297084341 /nfs/dbraw/zinc/08/43/41/1297084341.db2.gz DODPWTYQUXTKDD-DOTOQJQBSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044916 1297084358 /nfs/dbraw/zinc/08/43/58/1297084358.db2.gz DODPWTYQUXTKDD-DOTOQJQBSA-N 2 2 339.524 3.238 20 0 EGADLP Cc1nc(NC[C@H](C)C[NH+]2CCCCC2)c(Br)c(C)[nH+]1 ZINC000322916002 1297193038 /nfs/dbraw/zinc/19/30/38/1297193038.db2.gz UQYXQPVYHMTUBY-NSHDSACASA-N 2 2 341.297 3.390 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873203036 1297347493 /nfs/dbraw/zinc/34/74/93/1297347493.db2.gz MXEOEFZWYWHBLP-KRWDZBQOSA-N 2 2 332.444 3.106 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)cc1 ZINC000873203036 1297347508 /nfs/dbraw/zinc/34/75/08/1297347508.db2.gz MXEOEFZWYWHBLP-KRWDZBQOSA-N 2 2 332.444 3.106 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000378911260 1297527151 /nfs/dbraw/zinc/52/71/51/1297527151.db2.gz IYPPOUGAFOUZDP-NQIIRXRSSA-N 2 2 338.451 3.432 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000378911260 1297527159 /nfs/dbraw/zinc/52/71/59/1297527159.db2.gz IYPPOUGAFOUZDP-NQIIRXRSSA-N 2 2 338.451 3.432 20 0 EGADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000382906549 1297566162 /nfs/dbraw/zinc/56/61/62/1297566162.db2.gz ODYOCDIGYJJULT-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793907 1297861418 /nfs/dbraw/zinc/86/14/18/1297861418.db2.gz QGJAQUTXBYCJQF-STQMWFEESA-N 2 2 343.456 3.472 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793907 1297861429 /nfs/dbraw/zinc/86/14/29/1297861429.db2.gz QGJAQUTXBYCJQF-STQMWFEESA-N 2 2 343.456 3.472 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000695241586 1298159321 /nfs/dbraw/zinc/15/93/21/1298159321.db2.gz XUQOZEYPGXZKCE-KRWDZBQOSA-N 2 2 339.524 3.098 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000695241586 1298159326 /nfs/dbraw/zinc/15/93/26/1298159326.db2.gz XUQOZEYPGXZKCE-KRWDZBQOSA-N 2 2 339.524 3.098 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724024053 1298342775 /nfs/dbraw/zinc/34/27/75/1298342775.db2.gz BONDPJXETLPDGM-SJORKVTESA-N 2 2 339.524 3.001 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000876561100 1298828393 /nfs/dbraw/zinc/82/83/93/1298828393.db2.gz LJBIFJDRVIXCFG-UHFFFAOYSA-N 2 2 348.441 3.281 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000876561100 1298828408 /nfs/dbraw/zinc/82/84/08/1298828408.db2.gz LJBIFJDRVIXCFG-UHFFFAOYSA-N 2 2 348.441 3.281 20 0 EGADLP CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000876650695 1298895923 /nfs/dbraw/zinc/89/59/23/1298895923.db2.gz HFVVIXLMAGMZLZ-UHFFFAOYSA-N 2 2 348.491 3.284 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)co1 ZINC000878252532 1299866452 /nfs/dbraw/zinc/86/64/52/1299866452.db2.gz NVWWUKRBBRTUPK-AWEZNQCLSA-N 2 2 338.411 3.453 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)co1 ZINC000878252532 1299866461 /nfs/dbraw/zinc/86/64/61/1299866461.db2.gz NVWWUKRBBRTUPK-AWEZNQCLSA-N 2 2 338.411 3.453 20 0 EGADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215968 1300301877 /nfs/dbraw/zinc/30/18/77/1300301877.db2.gz YZJZSXFPICICKB-JYFPHDFCSA-N 2 2 347.547 3.138 20 0 EGADLP C/C(=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215968 1300301891 /nfs/dbraw/zinc/30/18/91/1300301891.db2.gz YZJZSXFPICICKB-JYFPHDFCSA-N 2 2 347.547 3.138 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000880571864 1301166733 /nfs/dbraw/zinc/16/67/33/1301166733.db2.gz UNELFINPVJVMQS-LJQANCHMSA-N 2 2 337.423 3.431 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860049 1301179177 /nfs/dbraw/zinc/17/91/77/1301179177.db2.gz XCASVVAHUFCLEF-MAUKXSAKSA-N 2 2 340.870 3.463 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860049 1301179179 /nfs/dbraw/zinc/17/91/79/1301179179.db2.gz XCASVVAHUFCLEF-MAUKXSAKSA-N 2 2 340.870 3.463 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160938 1301227630 /nfs/dbraw/zinc/22/76/30/1301227630.db2.gz UIXVOOZWOAYZSE-WCFLWFBJSA-N 2 2 344.286 3.089 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160938 1301227638 /nfs/dbraw/zinc/22/76/38/1301227638.db2.gz UIXVOOZWOAYZSE-WCFLWFBJSA-N 2 2 344.286 3.089 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000762073037 1301607952 /nfs/dbraw/zinc/60/79/52/1301607952.db2.gz GIUROGPFMSRGEM-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000762073037 1301607962 /nfs/dbraw/zinc/60/79/62/1301607962.db2.gz GIUROGPFMSRGEM-QGZVFWFLSA-N 2 2 334.508 3.010 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135053 1302397442 /nfs/dbraw/zinc/39/74/42/1302397442.db2.gz JDHWGNKEORDAPJ-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135053 1302397455 /nfs/dbraw/zinc/39/74/55/1302397455.db2.gz JDHWGNKEORDAPJ-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP c1cn(C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)c2ccccc2)c[nH+]1 ZINC000883386458 1302425973 /nfs/dbraw/zinc/42/59/73/1302425973.db2.gz GLPYMNQOYQPHMT-FQEVSTJZSA-N 2 2 347.466 3.278 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883388090 1302426553 /nfs/dbraw/zinc/42/65/53/1302426553.db2.gz LWYDAOSYBWPVAC-LPHOPBHVSA-N 2 2 336.439 3.249 20 0 EGADLP CC(C)[N@H+](C)CC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000766404023 1302445629 /nfs/dbraw/zinc/44/56/29/1302445629.db2.gz ZAFDMWHOVFRQDE-UHFFFAOYSA-N 2 2 344.507 3.138 20 0 EGADLP CC(C)[N@@H+](C)CC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000766404023 1302445635 /nfs/dbraw/zinc/44/56/35/1302445635.db2.gz ZAFDMWHOVFRQDE-UHFFFAOYSA-N 2 2 344.507 3.138 20 0 EGADLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(C)o1 ZINC000767348072 1302646942 /nfs/dbraw/zinc/64/69/42/1302646942.db2.gz WIHDTLPFUAJBOC-UHFFFAOYSA-N 2 2 327.472 3.198 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159681 1302840982 /nfs/dbraw/zinc/84/09/82/1302840982.db2.gz GVWBJUZRKFFYFX-UHFFFAOYSA-N 2 2 336.439 3.029 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000768159681 1302840995 /nfs/dbraw/zinc/84/09/95/1302840995.db2.gz GVWBJUZRKFFYFX-UHFFFAOYSA-N 2 2 336.439 3.029 20 0 EGADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc2[nH+]ccn21 ZINC000770250334 1303240105 /nfs/dbraw/zinc/24/01/05/1303240105.db2.gz DOZKMRRASOYZMP-UHFFFAOYSA-N 2 2 334.423 3.225 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)CC2)[nH+]c1C ZINC000886664673 1303545384 /nfs/dbraw/zinc/54/53/84/1303545384.db2.gz UNLDZGJQAUDTRU-KBXCAEBGSA-N 2 2 346.519 3.243 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886672162 1303551192 /nfs/dbraw/zinc/55/11/92/1303551192.db2.gz JVUVNEOHHBYIEJ-AWEZNQCLSA-N 2 2 334.508 3.291 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867720 1303620042 /nfs/dbraw/zinc/62/00/42/1303620042.db2.gz LYLAREQUORQNMB-DNVCBOLYSA-N 2 2 349.906 3.441 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867720 1303620044 /nfs/dbraw/zinc/62/00/44/1303620044.db2.gz LYLAREQUORQNMB-DNVCBOLYSA-N 2 2 349.906 3.441 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886869764 1303621189 /nfs/dbraw/zinc/62/11/89/1303621189.db2.gz HMLHSSXZNRYTBS-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886869764 1303621193 /nfs/dbraw/zinc/62/11/93/1303621193.db2.gz HMLHSSXZNRYTBS-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000774381467 1303804212 /nfs/dbraw/zinc/80/42/12/1303804212.db2.gz WLHVKULHYDFEFU-HLLBOEOZSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000774381467 1303804217 /nfs/dbraw/zinc/80/42/17/1303804217.db2.gz WLHVKULHYDFEFU-HLLBOEOZSA-N 2 2 339.524 3.285 20 0 EGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c[nH+]1 ZINC000775379318 1303950134 /nfs/dbraw/zinc/95/01/34/1303950134.db2.gz QJMQUENDNNWEQE-DJIMGWMZSA-N 2 2 331.510 3.342 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2nccn2C)cc1C[NH+]1CCCCC1 ZINC000775379690 1303950181 /nfs/dbraw/zinc/95/01/81/1303950181.db2.gz IZYRYOZTZZWNFO-INIZCTEOSA-N 2 2 342.487 3.265 20 0 EGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000775408436 1303959370 /nfs/dbraw/zinc/95/93/70/1303959370.db2.gz JXZCGFPAUYKRFF-LPHOPBHVSA-N 2 2 330.472 3.485 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609214 1303993367 /nfs/dbraw/zinc/99/33/67/1303993367.db2.gz SNZSFFVVSQOMAZ-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609214 1303993372 /nfs/dbraw/zinc/99/33/72/1303993372.db2.gz SNZSFFVVSQOMAZ-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609214 1303993378 /nfs/dbraw/zinc/99/33/78/1303993378.db2.gz SNZSFFVVSQOMAZ-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000775609214 1303993379 /nfs/dbraw/zinc/99/33/79/1303993379.db2.gz SNZSFFVVSQOMAZ-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP Cc1cccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000776249162 1304120719 /nfs/dbraw/zinc/12/07/19/1304120719.db2.gz TWNCOSCEWWEAFF-LJQANCHMSA-N 2 2 325.387 3.143 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073413 1304525650 /nfs/dbraw/zinc/52/56/50/1304525650.db2.gz OZTXHDICNRBNDB-ZACQAIPSSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073413 1304525653 /nfs/dbraw/zinc/52/56/53/1304525653.db2.gz OZTXHDICNRBNDB-ZACQAIPSSA-N 2 2 339.524 3.001 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181436 1304926125 /nfs/dbraw/zinc/92/61/25/1304926125.db2.gz HXXAGXKCQSKMQU-IEBWSBKVSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181436 1304926130 /nfs/dbraw/zinc/92/61/30/1304926130.db2.gz HXXAGXKCQSKMQU-IEBWSBKVSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857198751 1328524603 /nfs/dbraw/zinc/52/46/03/1328524603.db2.gz MZVRHJWBFSDIDC-KRWDZBQOSA-N 2 2 334.423 3.396 20 0 EGADLP CCOC(=O)c1ncc(C[NH2+]CCC[N@H+](C)C2CCCCC2)s1 ZINC000892450466 1305379676 /nfs/dbraw/zinc/37/96/76/1305379676.db2.gz DYQOOWSXZVBWND-UHFFFAOYSA-N 2 2 339.505 3.064 20 0 EGADLP CCOC(=O)c1ncc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)s1 ZINC000892450466 1305379688 /nfs/dbraw/zinc/37/96/88/1305379688.db2.gz DYQOOWSXZVBWND-UHFFFAOYSA-N 2 2 339.505 3.064 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)CC1 ZINC000892479728 1305396490 /nfs/dbraw/zinc/39/64/90/1305396490.db2.gz LYGVECZGJXAMDQ-UHFFFAOYSA-N 2 2 344.425 3.129 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000892567871 1305444027 /nfs/dbraw/zinc/44/40/27/1305444027.db2.gz WZOKDRIONAFZAY-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000893099126 1305707384 /nfs/dbraw/zinc/70/73/84/1305707384.db2.gz WHFRAVSSYPJVHI-SJLPKXTDSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000893099126 1305707390 /nfs/dbraw/zinc/70/73/90/1305707390.db2.gz WHFRAVSSYPJVHI-SJLPKXTDSA-N 2 2 325.456 3.233 20 0 EGADLP CCc1onc(C)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000893133286 1305724982 /nfs/dbraw/zinc/72/49/82/1305724982.db2.gz AAMFDZDLSSXOQY-UHFFFAOYSA-N 2 2 343.475 3.083 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788243777 1305906404 /nfs/dbraw/zinc/90/64/04/1305906404.db2.gz KIDMYZLINPSPCF-HUUCEWRRSA-N 2 2 327.513 3.142 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788434644 1305941212 /nfs/dbraw/zinc/94/12/12/1305941212.db2.gz FHZQEIHUPPUMNA-YESZJQIVSA-N 2 2 349.906 3.080 20 0 EGADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857198751 1328524604 /nfs/dbraw/zinc/52/46/04/1328524604.db2.gz MZVRHJWBFSDIDC-KRWDZBQOSA-N 2 2 334.423 3.396 20 0 EGADLP C[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)C[NH+]1CCCC1 ZINC000790519858 1306343048 /nfs/dbraw/zinc/34/30/48/1306343048.db2.gz WTOABMFHLZXOHA-INIZCTEOSA-N 2 2 346.906 3.406 20 0 EGADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000894327940 1306345671 /nfs/dbraw/zinc/34/56/71/1306345671.db2.gz IMWNWVRLEFIHEE-UHFFFAOYSA-N 2 2 336.501 3.421 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc[nH]c(=O)c1 ZINC000791138446 1308928138 /nfs/dbraw/zinc/92/81/38/1308928138.db2.gz WAPMXJSWMOQFNK-GJZGRUSLSA-N 2 2 326.444 3.058 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000791138448 1308928518 /nfs/dbraw/zinc/92/85/18/1308928518.db2.gz WAPMXJSWMOQFNK-LSDHHAIUSA-N 2 2 326.444 3.058 20 0 EGADLP C[C@@H](CC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)[NH+](C)C ZINC000895297381 1309274728 /nfs/dbraw/zinc/27/47/28/1309274728.db2.gz LNTIMDYKSAHBJS-NSHDSACASA-N 2 2 328.382 3.022 20 0 EGADLP Cn1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(-c2cccs2)n1 ZINC000895670422 1309458362 /nfs/dbraw/zinc/45/83/62/1309458362.db2.gz HLGPBAJOTQMARN-UHFFFAOYSA-N 2 2 330.501 3.209 20 0 EGADLP COc1cc(C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000895707301 1309477892 /nfs/dbraw/zinc/47/78/92/1309477892.db2.gz QAHWAPFGCBXZAJ-VQIMIIECSA-N 2 2 336.439 3.249 20 0 EGADLP Cc1[nH+]cc2n1C[C@@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)CC2 ZINC000896087892 1309693608 /nfs/dbraw/zinc/69/36/08/1309693608.db2.gz OSXHFDIUQLSWCU-HNNXBMFYSA-N 2 2 346.394 3.157 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000897868612 1310498990 /nfs/dbraw/zinc/49/89/90/1310498990.db2.gz CEIAMHMWTFIHNF-INIZCTEOSA-N 2 2 346.862 3.015 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000897868612 1310498996 /nfs/dbraw/zinc/49/89/96/1310498996.db2.gz CEIAMHMWTFIHNF-INIZCTEOSA-N 2 2 346.862 3.015 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001019040241 1317017885 /nfs/dbraw/zinc/01/78/85/1317017885.db2.gz QKLZFIPAXTVGRN-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1ccc2ccccc2c1 ZINC001019437204 1317243410 /nfs/dbraw/zinc/24/34/10/1317243410.db2.gz HPJFOSNTUQUQBS-BEFAXECRSA-N 2 2 348.450 3.057 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000957420110 1317346744 /nfs/dbraw/zinc/34/67/44/1317346744.db2.gz FTBIUEPCKQOBEF-PXNSSMCTSA-N 2 2 343.515 3.155 20 0 EGADLP O=C(OCc1cccc2[nH+]ccn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805899059 1317436185 /nfs/dbraw/zinc/43/61/85/1317436185.db2.gz HKQMIOKKHMHZQW-UHFFFAOYSA-N 2 2 349.434 3.290 20 0 EGADLP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000806169484 1317468148 /nfs/dbraw/zinc/46/81/48/1317468148.db2.gz MNAUQHPBCGTIRI-ULQDDVLXSA-N 2 2 341.540 3.484 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@@H]([NH2+]Cc4cccc(C)c4)C3)ccn12 ZINC001020153467 1317565677 /nfs/dbraw/zinc/56/56/77/1317565677.db2.gz KYVSBDNPDHVYFC-WGSAOQKQSA-N 2 2 348.450 3.002 20 0 EGADLP CC1CC[NH+](CCC[C@@H]([NH2+]CC2([NH3+])CC2)c2ccc(F)cc2)CC1 ZINC000902406154 1317574542 /nfs/dbraw/zinc/57/45/42/1317574542.db2.gz MBPCOEYRDZTNCN-LJQANCHMSA-N 3 2 333.495 3.460 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902481610 1317582414 /nfs/dbraw/zinc/58/24/14/1317582414.db2.gz FNPZUEZHEVTWJB-QAPCUYQASA-N 2 2 332.492 3.399 20 0 EGADLP CCC[N@H+](CN1CC[C@@H](C)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902640895 1317601158 /nfs/dbraw/zinc/60/11/58/1317601158.db2.gz ORGABYQDQBGFLF-GOSISDBHSA-N 2 2 343.515 3.189 20 0 EGADLP CCC[N@@H+](CN1CC[C@@H](C)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902640895 1317601165 /nfs/dbraw/zinc/60/11/65/1317601165.db2.gz ORGABYQDQBGFLF-GOSISDBHSA-N 2 2 343.515 3.189 20 0 EGADLP CCO[C@@H]1CCC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000902916203 1317630326 /nfs/dbraw/zinc/63/03/26/1317630326.db2.gz KLENYJISKROSGO-VQIMIIECSA-N 2 2 346.519 3.372 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cc1 ZINC000903056572 1317644336 /nfs/dbraw/zinc/64/43/36/1317644336.db2.gz VQXZMUSDGZSWJP-XDNSSPFJSA-N 3 2 339.527 3.398 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903056572 1317644342 /nfs/dbraw/zinc/64/43/42/1317644342.db2.gz VQXZMUSDGZSWJP-XDNSSPFJSA-N 3 2 339.527 3.398 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1OC ZINC000808383747 1317669828 /nfs/dbraw/zinc/66/98/28/1317669828.db2.gz PBQZCFFPGTYRKA-UHFFFAOYSA-N 2 2 337.423 3.488 20 0 EGADLP C[C@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(F)c1 ZINC000903307318 1317685174 /nfs/dbraw/zinc/68/51/74/1317685174.db2.gz CLNQLZGXQLYHRP-INIZCTEOSA-N 2 2 348.384 3.040 20 0 EGADLP Cc1ccc(C)c(C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)c1 ZINC000903875565 1317740157 /nfs/dbraw/zinc/74/01/57/1317740157.db2.gz QWCFYSGMZVNROU-UHFFFAOYSA-N 2 2 328.460 3.260 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(F)c1 ZINC000903914410 1317747296 /nfs/dbraw/zinc/74/72/96/1317747296.db2.gz UQKWOBAVEBPILL-FQEVSTJZSA-N 2 2 344.405 3.184 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(F)c1 ZINC000903914410 1317747301 /nfs/dbraw/zinc/74/73/01/1317747301.db2.gz UQKWOBAVEBPILL-FQEVSTJZSA-N 2 2 344.405 3.184 20 0 EGADLP Fc1ccc([C@H]2CCCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903909871 1317747870 /nfs/dbraw/zinc/74/78/70/1317747870.db2.gz HKLKDOMYKBVPKR-PKOBYXMFSA-N 2 2 343.450 3.069 20 0 EGADLP Fc1ccc([C@H]2CCCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903909871 1317747874 /nfs/dbraw/zinc/74/78/74/1317747874.db2.gz HKLKDOMYKBVPKR-PKOBYXMFSA-N 2 2 343.450 3.069 20 0 EGADLP COc1cccc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000903960043 1317757795 /nfs/dbraw/zinc/75/77/95/1317757795.db2.gz VOEBOMPVLHJGLF-SFHVURJKSA-N 2 2 340.414 3.262 20 0 EGADLP COc1cccc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1OC(F)F ZINC000903960043 1317757801 /nfs/dbraw/zinc/75/78/01/1317757801.db2.gz VOEBOMPVLHJGLF-SFHVURJKSA-N 2 2 340.414 3.262 20 0 EGADLP C[N@H+](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)CC(C)(C)C ZINC000904002965 1317766529 /nfs/dbraw/zinc/76/65/29/1317766529.db2.gz BQLDNTXRFWUFBZ-UHFFFAOYSA-N 2 2 325.416 3.400 20 0 EGADLP C[N@@H+](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)CC(C)(C)C ZINC000904002965 1317766536 /nfs/dbraw/zinc/76/65/36/1317766536.db2.gz BQLDNTXRFWUFBZ-UHFFFAOYSA-N 2 2 325.416 3.400 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000904313563 1317829310 /nfs/dbraw/zinc/82/93/10/1317829310.db2.gz HTLNOTAUYCMNIY-QGZVFWFLSA-N 2 2 337.552 3.301 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000904451178 1317849197 /nfs/dbraw/zinc/84/91/97/1317849197.db2.gz VTNBWYLLKZNOJL-UHFFFAOYSA-N 2 2 329.831 3.173 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C1CC1 ZINC000812718289 1318444399 /nfs/dbraw/zinc/44/43/99/1318444399.db2.gz JRBYSAOQUUHYHQ-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C1CC1 ZINC000812718289 1318444402 /nfs/dbraw/zinc/44/44/02/1318444402.db2.gz JRBYSAOQUUHYHQ-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603570 1318448525 /nfs/dbraw/zinc/44/85/25/1318448525.db2.gz QOHOKOOKDJJPFN-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603570 1318448535 /nfs/dbraw/zinc/44/85/35/1318448535.db2.gz QOHOKOOKDJJPFN-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603570 1318448539 /nfs/dbraw/zinc/44/85/39/1318448539.db2.gz QOHOKOOKDJJPFN-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603570 1318448541 /nfs/dbraw/zinc/44/85/41/1318448541.db2.gz QOHOKOOKDJJPFN-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000813784783 1318631963 /nfs/dbraw/zinc/63/19/63/1318631963.db2.gz SAQXLPBCFPMKEE-CQSZACIVSA-N 2 2 334.895 3.181 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]([NH2+]Cc4ccc(C)cc4)C3)ccn12 ZINC001022080576 1318792679 /nfs/dbraw/zinc/79/26/79/1318792679.db2.gz HWSFJHRDWMDGIT-KDURUIRLSA-N 2 2 348.450 3.002 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001022423778 1318935093 /nfs/dbraw/zinc/93/50/93/1318935093.db2.gz IFICDJOEZCYIPM-KSZLIROESA-N 2 2 348.450 3.336 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(F)c3)C2)c(C)[nH+]1 ZINC001022461233 1318950805 /nfs/dbraw/zinc/95/08/05/1318950805.db2.gz FGUXZKJTVIITHX-HDICACEKSA-N 2 2 341.430 3.197 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000815654477 1319038150 /nfs/dbraw/zinc/03/81/50/1319038150.db2.gz OGQORXOUEGPIPY-HGIWEUDGSA-N 2 2 342.527 3.354 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000815654477 1319038160 /nfs/dbraw/zinc/03/81/60/1319038160.db2.gz OGQORXOUEGPIPY-HGIWEUDGSA-N 2 2 342.527 3.354 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCC(C)(C)CC1 ZINC000960942977 1319081003 /nfs/dbraw/zinc/08/10/03/1319081003.db2.gz CJLFGJJSQBBNMI-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCC(C)(C)CC1 ZINC000960942977 1319081011 /nfs/dbraw/zinc/08/10/11/1319081011.db2.gz CJLFGJJSQBBNMI-QGZVFWFLSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960993810 1319124091 /nfs/dbraw/zinc/12/40/91/1319124091.db2.gz ZOVZIXVZKLQCSV-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960993810 1319124097 /nfs/dbraw/zinc/12/40/97/1319124097.db2.gz ZOVZIXVZKLQCSV-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2ccc(Cl)nc2)[C@H]2CCC[NH2+]2)cc1 ZINC000817902396 1319456936 /nfs/dbraw/zinc/45/69/36/1319456936.db2.gz PFYVIMXRXMYBQP-MJGOQNOKSA-N 2 2 345.874 3.369 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)CCC[NH2+]1 ZINC000817974980 1319482804 /nfs/dbraw/zinc/48/28/04/1319482804.db2.gz OYVBQDDVIQBGEU-MLGOLLRUSA-N 2 2 330.444 3.421 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370895 1319484399 /nfs/dbraw/zinc/48/43/99/1319484399.db2.gz QPJSDKIPGNDMTD-KRWDZBQOSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023370895 1319484406 /nfs/dbraw/zinc/48/44/06/1319484406.db2.gz QPJSDKIPGNDMTD-KRWDZBQOSA-N 2 2 340.471 3.051 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819079534 1319629632 /nfs/dbraw/zinc/62/96/32/1319629632.db2.gz VQIUFTOOLVLPRH-CJNGLKHVSA-N 2 2 330.394 3.203 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cn1 ZINC000820807563 1319957251 /nfs/dbraw/zinc/95/72/51/1319957251.db2.gz LGDYCILWAZDSLL-INIZCTEOSA-N 3 2 349.482 3.488 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824098597 1320228837 /nfs/dbraw/zinc/22/88/37/1320228837.db2.gz MMNVBIYIYOCIQB-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824098597 1320228841 /nfs/dbraw/zinc/22/88/41/1320228841.db2.gz MMNVBIYIYOCIQB-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP CCCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCC[C@@H](C)C1 ZINC000840089798 1321026358 /nfs/dbraw/zinc/02/63/58/1321026358.db2.gz BJJMZYRKUGMKCG-KURKYZTESA-N 2 2 346.519 3.374 20 0 EGADLP CCCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CCC[C@@H](C)C1 ZINC000840089798 1321026360 /nfs/dbraw/zinc/02/63/60/1321026360.db2.gz BJJMZYRKUGMKCG-KURKYZTESA-N 2 2 346.519 3.374 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673272 1321416729 /nfs/dbraw/zinc/41/67/29/1321416729.db2.gz LCLCCHZGPGOJDY-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673272 1321416731 /nfs/dbraw/zinc/41/67/31/1321416731.db2.gz LCLCCHZGPGOJDY-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c2cc1Cl ZINC000842479079 1321394519 /nfs/dbraw/zinc/39/45/19/1321394519.db2.gz UQKSXYNJKRCTPC-DOMZBBRYSA-N 2 2 348.874 3.426 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c2cc1Cl ZINC000842479079 1321394523 /nfs/dbraw/zinc/39/45/23/1321394523.db2.gz UQKSXYNJKRCTPC-DOMZBBRYSA-N 2 2 348.874 3.426 20 0 EGADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048441 1321461352 /nfs/dbraw/zinc/46/13/52/1321461352.db2.gz VQPZJUBJRDBPIW-LBPRGKRZSA-N 2 2 339.270 3.268 20 0 EGADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048441 1321461355 /nfs/dbraw/zinc/46/13/55/1321461355.db2.gz VQPZJUBJRDBPIW-LBPRGKRZSA-N 2 2 339.270 3.268 20 0 EGADLP [NH3+]CCCCCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000843178469 1321482370 /nfs/dbraw/zinc/48/23/70/1321482370.db2.gz QUVUBWLEXQUQBQ-UHFFFAOYSA-N 2 2 325.416 3.043 20 0 EGADLP COc1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1SC(F)(F)F ZINC000843386133 1321509293 /nfs/dbraw/zinc/50/92/93/1321509293.db2.gz FEYNLYJYGSTKDR-LBPRGKRZSA-N 2 2 334.407 3.476 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1SC(F)(F)F ZINC000843386133 1321509299 /nfs/dbraw/zinc/50/92/99/1321509299.db2.gz FEYNLYJYGSTKDR-LBPRGKRZSA-N 2 2 334.407 3.476 20 0 EGADLP C[C@@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000848565353 1321977228 /nfs/dbraw/zinc/97/72/28/1321977228.db2.gz NXHNTBMDWAUVFE-KRWDZBQOSA-N 2 2 338.499 3.337 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])Nc1cccc(OC)c1)c1ccco1 ZINC000849051363 1322058803 /nfs/dbraw/zinc/05/88/03/1322058803.db2.gz IASJLWMKPQTBLB-XJKSGUPXSA-N 2 2 330.432 3.354 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c[nH+]1 ZINC000922777964 1322615762 /nfs/dbraw/zinc/61/57/62/1322615762.db2.gz CQHGSKYXYJSUFF-UHFFFAOYSA-N 2 2 344.503 3.295 20 0 EGADLP CC1(C)O[C@@H]2C[C@@H]([NH2+][C@@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2O1 ZINC000922870351 1322637162 /nfs/dbraw/zinc/63/71/62/1322637162.db2.gz JUIJWJHPSLOPNG-CADBVGFASA-N 2 2 344.499 3.312 20 0 EGADLP CC1(C)O[C@@H]2C[C@@H]([NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2O1 ZINC000922870351 1322637164 /nfs/dbraw/zinc/63/71/64/1322637164.db2.gz JUIJWJHPSLOPNG-CADBVGFASA-N 2 2 344.499 3.312 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024012175 1323079454 /nfs/dbraw/zinc/07/94/54/1323079454.db2.gz GQDBLROWYHUZDR-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024012175 1323079462 /nfs/dbraw/zinc/07/94/62/1323079462.db2.gz GQDBLROWYHUZDR-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679714 1323109402 /nfs/dbraw/zinc/10/94/02/1323109402.db2.gz LVYMPUHOHHUNPG-GJYPPUQNSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679714 1323109409 /nfs/dbraw/zinc/10/94/09/1323109409.db2.gz LVYMPUHOHHUNPG-GJYPPUQNSA-N 2 2 339.487 3.306 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924731669 1323137395 /nfs/dbraw/zinc/13/73/95/1323137395.db2.gz ZEKJHBGJSOOHTJ-MOPGFXCFSA-N 2 2 344.503 3.323 20 0 EGADLP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924731669 1323137399 /nfs/dbraw/zinc/13/73/99/1323137399.db2.gz ZEKJHBGJSOOHTJ-MOPGFXCFSA-N 2 2 344.503 3.323 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000924881605 1323198426 /nfs/dbraw/zinc/19/84/26/1323198426.db2.gz HKOCCQFNZBVHQQ-CEXWTWQISA-N 2 2 343.515 3.128 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000924881605 1323198429 /nfs/dbraw/zinc/19/84/29/1323198429.db2.gz HKOCCQFNZBVHQQ-CEXWTWQISA-N 2 2 343.515 3.128 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1cc(CO)on1 ZINC000924963916 1323230626 /nfs/dbraw/zinc/23/06/26/1323230626.db2.gz NKMCQVKUTYEOEV-MRXNPFEDSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280369 1329084319 /nfs/dbraw/zinc/08/43/19/1329084319.db2.gz MBJNKFXKYYIWMK-IDCXYZFESA-N 2 2 349.478 3.492 20 0 EGADLP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280369 1329084322 /nfs/dbraw/zinc/08/43/22/1329084322.db2.gz MBJNKFXKYYIWMK-IDCXYZFESA-N 2 2 349.478 3.492 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493073 1323443403 /nfs/dbraw/zinc/44/34/03/1323443403.db2.gz SSYAABVFSQAGHV-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493073 1323443410 /nfs/dbraw/zinc/44/34/10/1323443410.db2.gz SSYAABVFSQAGHV-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493073 1323443418 /nfs/dbraw/zinc/44/34/18/1323443418.db2.gz SSYAABVFSQAGHV-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493073 1323443429 /nfs/dbraw/zinc/44/34/29/1323443429.db2.gz SSYAABVFSQAGHV-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000931329862 1329095914 /nfs/dbraw/zinc/09/59/14/1329095914.db2.gz YOYCYKMSPISFRA-UHFFFAOYSA-N 2 2 332.488 3.080 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025109164 1323899707 /nfs/dbraw/zinc/89/97/07/1323899707.db2.gz QABDBWQAJSMSGM-QFBILLFUSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025109164 1323899713 /nfs/dbraw/zinc/89/97/13/1323899713.db2.gz QABDBWQAJSMSGM-QFBILLFUSA-N 2 2 344.503 3.059 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706589 1329168174 /nfs/dbraw/zinc/16/81/74/1329168174.db2.gz GOPHNNARJQMVCU-IPMKNSEASA-N 2 2 341.455 3.193 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299843 1325083009 /nfs/dbraw/zinc/08/30/09/1325083009.db2.gz WZYUIZSBRSRJMV-QZTJIDSGSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963299843 1325083019 /nfs/dbraw/zinc/08/30/19/1325083019.db2.gz WZYUIZSBRSRJMV-QZTJIDSGSA-N 2 2 344.503 3.012 20 0 EGADLP COc1cc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)on1 ZINC000925276669 1325110768 /nfs/dbraw/zinc/11/07/68/1325110768.db2.gz AAJZMBYCRJPLPG-OAGGEKHMSA-N 2 2 343.471 3.490 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000925532322 1325193276 /nfs/dbraw/zinc/19/32/76/1325193276.db2.gz QPMFEQKMFBAOAL-QFBILLFUSA-N 2 2 334.467 3.315 20 0 EGADLP c1cn(Cc2cccc(-c3ccc(CC[NH+]4CCOCC4)cc3)c2)c[nH+]1 ZINC000854172126 1325224936 /nfs/dbraw/zinc/22/49/36/1325224936.db2.gz RJARHNRPIYGMEP-UHFFFAOYSA-N 2 2 347.462 3.473 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925592156 1325225054 /nfs/dbraw/zinc/22/50/54/1325225054.db2.gz UZHCSYKTCHREJH-QMMLZNLJSA-N 2 2 342.531 3.214 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925592156 1325225061 /nfs/dbraw/zinc/22/50/61/1325225061.db2.gz UZHCSYKTCHREJH-QMMLZNLJSA-N 2 2 342.531 3.214 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000925798255 1325306705 /nfs/dbraw/zinc/30/67/05/1325306705.db2.gz VQMYFBBDAQHKJW-OXJNMPFZSA-N 2 2 328.500 3.375 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387963 1325587140 /nfs/dbraw/zinc/58/71/40/1325587140.db2.gz HZLMPHCKUVZLEW-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387963 1325587148 /nfs/dbraw/zinc/58/71/48/1325587148.db2.gz HZLMPHCKUVZLEW-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462803 1327712321 /nfs/dbraw/zinc/71/23/21/1327712321.db2.gz KNOPTRYHEZCKHN-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027462803 1327712322 /nfs/dbraw/zinc/71/23/22/1327712322.db2.gz KNOPTRYHEZCKHN-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490215 1327751054 /nfs/dbraw/zinc/75/10/54/1327751054.db2.gz MTFNCDRAFDXKAA-GOSISDBHSA-N 2 2 348.450 3.071 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490215 1327751063 /nfs/dbraw/zinc/75/10/63/1327751063.db2.gz MTFNCDRAFDXKAA-GOSISDBHSA-N 2 2 348.450 3.071 20 0 EGADLP CC1([NH+]2CCC2)CCC([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000927036157 1327824968 /nfs/dbraw/zinc/82/49/68/1327824968.db2.gz FCZPPSTYGPYRNC-TVRKMHQQSA-N 2 2 343.450 3.030 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCC3)ccn12 ZINC001027883295 1328352874 /nfs/dbraw/zinc/35/28/74/1328352874.db2.gz IZJMTNXYKFLTDJ-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@H+]3CC3CCCC3)ccn12 ZINC001027883295 1328352880 /nfs/dbraw/zinc/35/28/80/1328352880.db2.gz IZJMTNXYKFLTDJ-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]2C)c[nH+]1 ZINC000966908668 1328468680 /nfs/dbraw/zinc/46/86/80/1328468680.db2.gz UVLIBEUDPADYCL-NVXWUHKLSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@H]2C)c[nH+]1 ZINC000966908668 1328468688 /nfs/dbraw/zinc/46/86/88/1328468688.db2.gz UVLIBEUDPADYCL-NVXWUHKLSA-N 2 2 348.535 3.189 20 0 EGADLP COc1ccc([C@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1F ZINC000862541868 1329494835 /nfs/dbraw/zinc/49/48/35/1329494835.db2.gz YEVROLNKMWTPSM-AWEZNQCLSA-N 2 2 349.475 3.342 20 0 EGADLP COc1ccc([C@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)cc1F ZINC000862541868 1329494837 /nfs/dbraw/zinc/49/48/37/1329494837.db2.gz YEVROLNKMWTPSM-AWEZNQCLSA-N 2 2 349.475 3.342 20 0 EGADLP CC1(C)CC([NH2+]Cc2cccnc2Br)CC(C)(C)[NH2+]1 ZINC000865403835 1329692160 /nfs/dbraw/zinc/69/21/60/1329692160.db2.gz QYACFLXIGFCIOL-UHFFFAOYSA-N 2 2 326.282 3.243 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)nn1 ZINC000865414247 1329693646 /nfs/dbraw/zinc/69/36/46/1329693646.db2.gz AKAAEZOQXPRPTH-QGZVFWFLSA-N 2 2 341.503 3.352 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)nn1 ZINC000865414247 1329693647 /nfs/dbraw/zinc/69/36/47/1329693647.db2.gz AKAAEZOQXPRPTH-QGZVFWFLSA-N 2 2 341.503 3.352 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccnc1Br ZINC000865425499 1329695730 /nfs/dbraw/zinc/69/57/30/1329695730.db2.gz MYXLJPOWSQJWFS-CYBMUJFWSA-N 2 2 337.265 3.245 20 0 EGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cccnc1Br)C(C)(C)C ZINC000865466285 1329701348 /nfs/dbraw/zinc/70/13/48/1329701348.db2.gz FFGYRSUPYHMOKF-ZDUSSCGKSA-N 2 2 328.298 3.300 20 0 EGADLP C[N@@H+]1CCC[C@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@H]21 ZINC000865616430 1329720519 /nfs/dbraw/zinc/72/05/19/1329720519.db2.gz HMJQHPZHVRWHQS-ZWKOTPCHSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@H+]1CCC[C@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[C@H]21 ZINC000865616430 1329720520 /nfs/dbraw/zinc/72/05/20/1329720520.db2.gz HMJQHPZHVRWHQS-ZWKOTPCHSA-N 2 2 337.471 3.009 20 0 EGADLP CSCC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000932587760 1329825200 /nfs/dbraw/zinc/82/52/00/1329825200.db2.gz QCUDKCAHGPQHNG-UHFFFAOYSA-N 2 2 347.572 3.274 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C[NH+]1CCCCCC1 ZINC000935489286 1330056531 /nfs/dbraw/zinc/05/65/31/1330056531.db2.gz YWIQHVXEKGILGM-UHFFFAOYSA-N 2 2 328.460 3.290 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000866666516 1330139564 /nfs/dbraw/zinc/13/95/64/1330139564.db2.gz RCHLGQLIXDXJKU-CRAIPNDOSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000866666516 1330139565 /nfs/dbraw/zinc/13/95/65/1330139565.db2.gz RCHLGQLIXDXJKU-CRAIPNDOSA-N 2 2 341.455 3.314 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803638 1332902776 /nfs/dbraw/zinc/90/27/76/1332902776.db2.gz OSIRCYSXAYTGSW-MKXGPGLRSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803638 1332902779 /nfs/dbraw/zinc/90/27/79/1332902779.db2.gz OSIRCYSXAYTGSW-MKXGPGLRSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315407 1333085965 /nfs/dbraw/zinc/08/59/65/1333085965.db2.gz SNAMPJGOINGJBL-CRAIPNDOSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315407 1333085968 /nfs/dbraw/zinc/08/59/68/1333085968.db2.gz SNAMPJGOINGJBL-CRAIPNDOSA-N 2 2 340.471 3.192 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)[C@H](C)C2)c[nH+]1 ZINC000947436429 1333126973 /nfs/dbraw/zinc/12/69/73/1333126973.db2.gz ITGHXADSMSWDFP-SJLPKXTDSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)c[nH+]1 ZINC000947436429 1333126975 /nfs/dbraw/zinc/12/69/75/1333126975.db2.gz ITGHXADSMSWDFP-SJLPKXTDSA-N 2 2 346.519 3.086 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947757911 1333253283 /nfs/dbraw/zinc/25/32/83/1333253283.db2.gz HFIMPTNZVGKXMY-NVXWUHKLSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947757911 1333253286 /nfs/dbraw/zinc/25/32/86/1333253286.db2.gz HFIMPTNZVGKXMY-NVXWUHKLSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947758880 1333253669 /nfs/dbraw/zinc/25/36/69/1333253669.db2.gz UOJPBLCYHBCGCO-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCC1CCCCCC1 ZINC000947758880 1333253673 /nfs/dbraw/zinc/25/36/73/1333253673.db2.gz UOJPBLCYHBCGCO-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947979540 1333330142 /nfs/dbraw/zinc/33/01/42/1333330142.db2.gz IGHSBHCDHBCRAZ-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947979540 1333330147 /nfs/dbraw/zinc/33/01/47/1333330147.db2.gz IGHSBHCDHBCRAZ-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947979179 1333330606 /nfs/dbraw/zinc/33/06/06/1333330606.db2.gz BXDOAZKWBZDRFW-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@@H](C)C1 ZINC000947979179 1333330609 /nfs/dbraw/zinc/33/06/09/1333330609.db2.gz BXDOAZKWBZDRFW-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCC[N@H+](CCC3CC3)CC2)c[nH+]1 ZINC000948473172 1333539528 /nfs/dbraw/zinc/53/95/28/1333539528.db2.gz BCYUREAJTQBBAF-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCC[N@@H+](CCC3CC3)CC2)c[nH+]1 ZINC000948473172 1333539529 /nfs/dbraw/zinc/53/95/29/1333539529.db2.gz BCYUREAJTQBBAF-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1C[NH+](CCC(C)(C)C)C1 ZINC000950097280 1334014481 /nfs/dbraw/zinc/01/44/81/1334014481.db2.gz NXUKWZACBLMMSM-UHFFFAOYSA-N 2 2 342.487 3.225 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1)[NH+](C)C ZINC000950555716 1334088688 /nfs/dbraw/zinc/08/86/88/1334088688.db2.gz OMMSMGJIUSOHBK-PXNSSMCTSA-N 2 2 345.531 3.355 20 0 EGADLP CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444234 1334460971 /nfs/dbraw/zinc/46/09/71/1334460971.db2.gz KJHKHLQULFIOIG-AZUAARDMSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444234 1334460973 /nfs/dbraw/zinc/46/09/73/1334460973.db2.gz KJHKHLQULFIOIG-AZUAARDMSA-N 2 2 345.531 3.036 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969969186 1336267893 /nfs/dbraw/zinc/26/78/93/1336267893.db2.gz BPVIHQNOJLUVJV-ZDUSSCGKSA-N 2 2 340.471 3.049 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001006066250 1336445846 /nfs/dbraw/zinc/44/58/46/1336445846.db2.gz PSESYHTWCXCNMQ-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006193517 1336464716 /nfs/dbraw/zinc/46/47/16/1336464716.db2.gz RYLRHWSFUCZWGU-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001006191728 1336464845 /nfs/dbraw/zinc/46/48/45/1336464845.db2.gz GNKKEIHUZFTXJF-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015938162 1338366367 /nfs/dbraw/zinc/36/63/67/1338366367.db2.gz LHKYCSNUAPNEBH-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001015938162 1338366371 /nfs/dbraw/zinc/36/63/71/1338366371.db2.gz LHKYCSNUAPNEBH-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687796 1338690545 /nfs/dbraw/zinc/69/05/45/1338690545.db2.gz LTGVEARHBWQCGT-SFHVURJKSA-N 2 2 338.455 3.113 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687466 1338690658 /nfs/dbraw/zinc/69/06/58/1338690658.db2.gz ISOXVDSNTMFHAX-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017120832 1338879270 /nfs/dbraw/zinc/87/92/70/1338879270.db2.gz PBSFMEZVEZMWHL-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017120832 1338879274 /nfs/dbraw/zinc/87/92/74/1338879274.db2.gz PBSFMEZVEZMWHL-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221974 1338961790 /nfs/dbraw/zinc/96/17/90/1338961790.db2.gz KJSPBIBZWVKKKD-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001017221974 1338961795 /nfs/dbraw/zinc/96/17/95/1338961795.db2.gz KJSPBIBZWVKKKD-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001030586768 1341199248 /nfs/dbraw/zinc/19/92/48/1341199248.db2.gz VAQYYKOAXKQCPE-OAHLLOKOSA-N 2 2 348.450 3.126 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@H+](CCC(C)(C)C)C3)ccn12 ZINC001033078160 1341717906 /nfs/dbraw/zinc/71/79/06/1341717906.db2.gz KLNMVZHCYBRUJU-QGZVFWFLSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](CCC(C)(C)C)C3)ccn12 ZINC001033078160 1341717907 /nfs/dbraw/zinc/71/79/07/1341717907.db2.gz KLNMVZHCYBRUJU-QGZVFWFLSA-N 2 2 342.487 3.225 20 0 EGADLP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001033590261 1341886690 /nfs/dbraw/zinc/88/66/90/1341886690.db2.gz OYFODZCNOLRFRK-JCYILVPMSA-N 2 2 346.519 3.046 20 0 EGADLP CC1CCC(C[N@H+]2CC[C@H](N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001033590261 1341886692 /nfs/dbraw/zinc/88/66/92/1341886692.db2.gz OYFODZCNOLRFRK-JCYILVPMSA-N 2 2 346.519 3.046 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033873559 1342053166 /nfs/dbraw/zinc/05/31/66/1342053166.db2.gz QHDXBBCHXKNEBV-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033873559 1342053167 /nfs/dbraw/zinc/05/31/67/1342053167.db2.gz QHDXBBCHXKNEBV-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037209502 1344044361 /nfs/dbraw/zinc/04/43/61/1344044361.db2.gz CCPSXGUWTANKCB-NVXWUHKLSA-N 2 2 340.471 3.241 20 0 EGADLP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001037218348 1344050477 /nfs/dbraw/zinc/05/04/77/1344050477.db2.gz XSPFGKCOWMMSKJ-HKUYNNGSSA-N 2 2 340.471 3.159 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037852364 1344138485 /nfs/dbraw/zinc/13/84/85/1344138485.db2.gz LEJQPCZNOKPAIE-HKUYNNGSSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037852364 1344138486 /nfs/dbraw/zinc/13/84/86/1344138486.db2.gz LEJQPCZNOKPAIE-HKUYNNGSSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037995872 1344226487 /nfs/dbraw/zinc/22/64/87/1344226487.db2.gz HUIJWMDORKOUNT-MOPGFXCFSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038367282 1344400932 /nfs/dbraw/zinc/40/09/32/1344400932.db2.gz OCWKGMAJICMXIZ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038367282 1344400936 /nfs/dbraw/zinc/40/09/36/1344400936.db2.gz OCWKGMAJICMXIZ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001038367282 1344400941 /nfs/dbraw/zinc/40/09/41/1344400941.db2.gz OCWKGMAJICMXIZ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001038367282 1344400945 /nfs/dbraw/zinc/40/09/45/1344400945.db2.gz OCWKGMAJICMXIZ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217610 1344934915 /nfs/dbraw/zinc/93/49/15/1344934915.db2.gz VFATYBDSIRNHAJ-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217610 1344934918 /nfs/dbraw/zinc/93/49/18/1344934918.db2.gz VFATYBDSIRNHAJ-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217612 1344935150 /nfs/dbraw/zinc/93/51/50/1344935150.db2.gz VFATYBDSIRNHAJ-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039217612 1344935152 /nfs/dbraw/zinc/93/51/52/1344935152.db2.gz VFATYBDSIRNHAJ-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001039249463 1344979374 /nfs/dbraw/zinc/97/93/74/1344979374.db2.gz IWOMLKMEPLBHKV-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001039249463 1344979376 /nfs/dbraw/zinc/97/93/76/1344979376.db2.gz IWOMLKMEPLBHKV-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001043198658 1346152216 /nfs/dbraw/zinc/15/22/16/1346152216.db2.gz XKZJRQPVRYMPDU-YLJYHZDGSA-N 2 2 343.515 3.011 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001043198658 1346152219 /nfs/dbraw/zinc/15/22/19/1346152219.db2.gz XKZJRQPVRYMPDU-YLJYHZDGSA-N 2 2 343.515 3.011 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579048 1346373889 /nfs/dbraw/zinc/37/38/89/1346373889.db2.gz CJQSSDSGTZAXKS-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001045499703 1346610479 /nfs/dbraw/zinc/61/04/79/1346610479.db2.gz CMDFVQIATNCQJH-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981275 1346819323 /nfs/dbraw/zinc/81/93/23/1346819323.db2.gz FBRMICIKVYLHCF-OXQOHEQNSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981275 1346819327 /nfs/dbraw/zinc/81/93/27/1346819327.db2.gz FBRMICIKVYLHCF-OXQOHEQNSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CC2CCCCC2)C1 ZINC001046413815 1346966831 /nfs/dbraw/zinc/96/68/31/1346966831.db2.gz BUTDZJCBNRLNNY-HXUWFJFHSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CC2CCCCC2)C1 ZINC001046413815 1346966833 /nfs/dbraw/zinc/96/68/33/1346966833.db2.gz BUTDZJCBNRLNNY-HXUWFJFHSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CC2=CCCCC2)C1 ZINC001046421778 1346971173 /nfs/dbraw/zinc/97/11/73/1346971173.db2.gz JKOCVLUWXCMTSA-HXUWFJFHSA-N 2 2 338.455 3.258 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046421778 1346971174 /nfs/dbraw/zinc/97/11/74/1346971174.db2.gz JKOCVLUWXCMTSA-HXUWFJFHSA-N 2 2 338.455 3.258 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739717 1347078438 /nfs/dbraw/zinc/07/84/38/1347078438.db2.gz UEUVYIZDEYOZNU-UZLBHIALSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739717 1347078440 /nfs/dbraw/zinc/07/84/40/1347078440.db2.gz UEUVYIZDEYOZNU-UZLBHIALSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047883172 1347398416 /nfs/dbraw/zinc/39/84/16/1347398416.db2.gz XFMYSATVOBZWNK-WBVHZDCISA-N 2 2 348.450 3.203 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478141 1347868540 /nfs/dbraw/zinc/86/85/40/1347868540.db2.gz LNPOQDHOPOFFJG-QZTJIDSGSA-N 2 2 340.471 3.122 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478141 1347868543 /nfs/dbraw/zinc/86/85/43/1347868543.db2.gz LNPOQDHOPOFFJG-QZTJIDSGSA-N 2 2 340.471 3.122 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049552959 1347905714 /nfs/dbraw/zinc/90/57/14/1347905714.db2.gz RJXJLEDEAUMGKJ-OALUTQOASA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049552959 1347905717 /nfs/dbraw/zinc/90/57/17/1347905717.db2.gz RJXJLEDEAUMGKJ-OALUTQOASA-N 2 2 338.455 3.042 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001050389781 1348247850 /nfs/dbraw/zinc/24/78/50/1348247850.db2.gz UERHGNFQEFOXOQ-IYARVYRRSA-N 2 2 346.519 3.106 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC3(C2)CC[NH+](CCC2CC2)CC3)c(C)[nH+]1 ZINC001050598670 1348296982 /nfs/dbraw/zinc/29/69/82/1348296982.db2.gz ORPGFDPOJXEOCN-UHFFFAOYSA-N 2 2 341.499 3.345 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001052499249 1348560133 /nfs/dbraw/zinc/56/01/33/1348560133.db2.gz RIHHYFCQMWGWQK-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001052499249 1348560134 /nfs/dbraw/zinc/56/01/34/1348560134.db2.gz RIHHYFCQMWGWQK-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053027557 1348825749 /nfs/dbraw/zinc/82/57/49/1348825749.db2.gz DSKFDMUQZPUMQG-MSOLQXFVSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053027557 1348825754 /nfs/dbraw/zinc/82/57/54/1348825754.db2.gz DSKFDMUQZPUMQG-MSOLQXFVSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053027557 1348825756 /nfs/dbraw/zinc/82/57/56/1348825756.db2.gz DSKFDMUQZPUMQG-MSOLQXFVSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053027557 1348825762 /nfs/dbraw/zinc/82/57/62/1348825762.db2.gz DSKFDMUQZPUMQG-MSOLQXFVSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001053105623 1348942967 /nfs/dbraw/zinc/94/29/67/1348942967.db2.gz QAIHMWFFLRRXFW-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001053105623 1348942970 /nfs/dbraw/zinc/94/29/70/1348942970.db2.gz QAIHMWFFLRRXFW-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2C1 ZINC001054288158 1349291362 /nfs/dbraw/zinc/29/13/62/1349291362.db2.gz LZZPHXNGKCROLC-UHFFFAOYSA-N 2 2 346.434 3.138 20 0 EGADLP CC[N@H+]1Cc2ccc(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)cc2C1 ZINC001054288158 1349291371 /nfs/dbraw/zinc/29/13/71/1349291371.db2.gz LZZPHXNGKCROLC-UHFFFAOYSA-N 2 2 346.434 3.138 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071605597 1354791454 /nfs/dbraw/zinc/79/14/54/1354791454.db2.gz BGPFDPUPPSJCIE-SJLPKXTDSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001071605597 1354791457 /nfs/dbraw/zinc/79/14/57/1354791457.db2.gz BGPFDPUPPSJCIE-SJLPKXTDSA-N 2 2 348.535 3.332 20 0 EGADLP CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711632 1354870046 /nfs/dbraw/zinc/87/00/46/1354870046.db2.gz BDKODVILTZGUOQ-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1C ZINC001071711632 1354870051 /nfs/dbraw/zinc/87/00/51/1354870051.db2.gz BDKODVILTZGUOQ-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072029585 1355090020 /nfs/dbraw/zinc/09/00/20/1355090020.db2.gz INAUZKKXLJAYAP-YJBOKZPZSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072029585 1355090026 /nfs/dbraw/zinc/09/00/26/1355090026.db2.gz INAUZKKXLJAYAP-YJBOKZPZSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001072029997 1355091462 /nfs/dbraw/zinc/09/14/62/1355091462.db2.gz LFPHXESTKVKDHC-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001072029997 1355091464 /nfs/dbraw/zinc/09/14/64/1355091464.db2.gz LFPHXESTKVKDHC-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C)c1ccccc1 ZINC001074680666 1356223579 /nfs/dbraw/zinc/22/35/79/1356223579.db2.gz OJXUVSZIGIYOKN-IPELMVKDSA-N 2 2 340.471 3.073 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C)c1ccccc1 ZINC001074680666 1356223580 /nfs/dbraw/zinc/22/35/80/1356223580.db2.gz OJXUVSZIGIYOKN-IPELMVKDSA-N 2 2 340.471 3.073 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001085327185 1358468536 /nfs/dbraw/zinc/46/85/36/1358468536.db2.gz BJXWXSQSGAZDJA-GVDBMIGSSA-N 2 2 344.503 3.037 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672962 1358677326 /nfs/dbraw/zinc/67/73/26/1358677326.db2.gz MCIVYKKDQGTZRP-INIZCTEOSA-N 2 2 340.471 3.145 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672962 1358677327 /nfs/dbraw/zinc/67/73/27/1358677327.db2.gz MCIVYKKDQGTZRP-INIZCTEOSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905549 1358864745 /nfs/dbraw/zinc/86/47/45/1358864745.db2.gz IQXYTZZELMYTMS-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905549 1358864749 /nfs/dbraw/zinc/86/47/49/1358864749.db2.gz IQXYTZZELMYTMS-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720281 1359610828 /nfs/dbraw/zinc/61/08/28/1359610828.db2.gz LWVCNGMIROAIBK-SOLBZPMBSA-N 2 2 346.519 3.235 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720281 1359610829 /nfs/dbraw/zinc/61/08/29/1359610829.db2.gz LWVCNGMIROAIBK-SOLBZPMBSA-N 2 2 346.519 3.235 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001088405132 1359877704 /nfs/dbraw/zinc/87/77/04/1359877704.db2.gz PBSQCEPLJVPINT-SFHVURJKSA-N 2 2 344.503 3.204 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)[C@@H]3C)ccn12 ZINC001088567245 1359976940 /nfs/dbraw/zinc/97/69/40/1359976940.db2.gz CATFVWDHMUHGNV-QAPCUYQASA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)[C@@H]3C)ccn12 ZINC001088567245 1359976942 /nfs/dbraw/zinc/97/69/42/1359976942.db2.gz CATFVWDHMUHGNV-QAPCUYQASA-N 2 2 340.471 3.026 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)[C@@H]1C ZINC001089006037 1360134711 /nfs/dbraw/zinc/13/47/11/1360134711.db2.gz KYWFHVZCFXIRHA-WBVHZDCISA-N 2 2 346.519 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)[C@@H]1C ZINC001089006037 1360134714 /nfs/dbraw/zinc/13/47/14/1360134714.db2.gz KYWFHVZCFXIRHA-WBVHZDCISA-N 2 2 346.519 3.056 20 0 EGADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC001089450586 1360438211 /nfs/dbraw/zinc/43/82/11/1360438211.db2.gz RCGDVPRWLYYFQY-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC001089450586 1360438213 /nfs/dbraw/zinc/43/82/13/1360438213.db2.gz RCGDVPRWLYYFQY-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486794 1360466788 /nfs/dbraw/zinc/46/67/88/1360466788.db2.gz CVYDRACEQMWFIL-JKSUJKDBSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486794 1360466792 /nfs/dbraw/zinc/46/67/92/1360466792.db2.gz CVYDRACEQMWFIL-JKSUJKDBSA-N 2 2 346.519 3.092 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CC2CCCCC2)C1 ZINC001089507862 1360479381 /nfs/dbraw/zinc/47/93/81/1360479381.db2.gz SHNPSNGUUIWSPU-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089507862 1360479383 /nfs/dbraw/zinc/47/93/83/1360479383.db2.gz SHNPSNGUUIWSPU-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP 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1387580811 /nfs/dbraw/zinc/58/08/11/1387580811.db2.gz FKQFLDYVLOWJLJ-QZTJIDSGSA-N 2 2 344.503 3.057 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001324284721 1387580817 /nfs/dbraw/zinc/58/08/17/1387580817.db2.gz FKQFLDYVLOWJLJ-QZTJIDSGSA-N 2 2 344.503 3.057 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001324284720 1387581032 /nfs/dbraw/zinc/58/10/32/1387581032.db2.gz FKQFLDYVLOWJLJ-MSOLQXFVSA-N 2 2 344.503 3.057 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250993 1363714072 /nfs/dbraw/zinc/71/40/72/1363714072.db2.gz FDLLMSFUFRKURT-MSOLQXFVSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250993 1363714074 /nfs/dbraw/zinc/71/40/74/1363714074.db2.gz FDLLMSFUFRKURT-MSOLQXFVSA-N 2 2 346.519 3.407 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441261 1364115934 /nfs/dbraw/zinc/11/59/34/1364115934.db2.gz JEEWCZNDVGSEHU-FPLPWBNLSA-N 2 2 346.519 3.157 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC2CC([NH2+]C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001100441212 1364116019 /nfs/dbraw/zinc/11/60/19/1364116019.db2.gz HNEZPWFTVBIQNI-FAEJEUNOSA-N 2 2 348.535 3.093 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001102060632 1364828615 /nfs/dbraw/zinc/82/86/15/1364828615.db2.gz JOECDNQTJPYWAI-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001102060632 1364828616 /nfs/dbraw/zinc/82/86/16/1364828616.db2.gz JOECDNQTJPYWAI-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001102060632 1364828617 /nfs/dbraw/zinc/82/86/17/1364828617.db2.gz JOECDNQTJPYWAI-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001102060632 1364828620 /nfs/dbraw/zinc/82/86/20/1364828620.db2.gz 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346.519 3.163 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103070235 1365363332 /nfs/dbraw/zinc/36/33/32/1365363332.db2.gz CWAYXBCOYLXBJD-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145213 1365407801 /nfs/dbraw/zinc/40/78/01/1365407801.db2.gz GHBROCUTPFTMSF-HZPDHXFCSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145213 1365407803 /nfs/dbraw/zinc/40/78/03/1365407803.db2.gz GHBROCUTPFTMSF-HZPDHXFCSA-N 2 2 342.487 3.441 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274695 1365974697 /nfs/dbraw/zinc/97/46/97/1365974697.db2.gz VRXAGPBTXJIZQV-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274695 1365974699 /nfs/dbraw/zinc/97/46/99/1365974699.db2.gz VRXAGPBTXJIZQV-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP 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CCC(CC)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818885 1367359621 /nfs/dbraw/zinc/35/96/21/1367359621.db2.gz SZWDQVKEMSQCJF-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818885 1367359626 /nfs/dbraw/zinc/35/96/26/1367359626.db2.gz SZWDQVKEMSQCJF-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819254 1367359692 /nfs/dbraw/zinc/35/96/92/1367359692.db2.gz VVOCPLJSBLODDE-PWBPZBFBSA-N 2 2 346.519 3.359 20 0 EGADLP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819254 1367359696 /nfs/dbraw/zinc/35/96/96/1367359696.db2.gz VVOCPLJSBLODDE-PWBPZBFBSA-N 2 2 346.519 3.359 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900490 1367378300 /nfs/dbraw/zinc/37/83/00/1367378300.db2.gz QEWMAXJSFVJMGS-CNZFZVQHSA-N 2 2 346.519 3.206 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900490 1367378306 /nfs/dbraw/zinc/37/83/06/1367378306.db2.gz QEWMAXJSFVJMGS-CNZFZVQHSA-N 2 2 346.519 3.206 20 0 EGADLP Cc1ccc(F)cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001191798743 1367592081 /nfs/dbraw/zinc/59/20/81/1367592081.db2.gz AEAUSSOELHPMOY-CQSZACIVSA-N 2 2 330.407 3.065 20 0 EGADLP Cc1ccc(F)cc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001191798743 1367592086 /nfs/dbraw/zinc/59/20/86/1367592086.db2.gz AEAUSSOELHPMOY-CQSZACIVSA-N 2 2 330.407 3.065 20 0 EGADLP Cc1ccc(F)cc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001191798739 1367592536 /nfs/dbraw/zinc/59/25/36/1367592536.db2.gz AEAUSSOELHPMOY-AWEZNQCLSA-N 2 2 330.407 3.065 20 0 EGADLP Cc1ccc(F)cc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001191798739 1367592539 /nfs/dbraw/zinc/59/25/39/1367592539.db2.gz AEAUSSOELHPMOY-AWEZNQCLSA-N 2 2 330.407 3.065 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001110564738 1367836247 /nfs/dbraw/zinc/83/62/47/1367836247.db2.gz QGWXZWNGMWAZPM-KURKYZTESA-N 2 2 340.471 3.168 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001110564738 1367836250 /nfs/dbraw/zinc/83/62/50/1367836250.db2.gz QGWXZWNGMWAZPM-KURKYZTESA-N 2 2 340.471 3.168 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076622 1368152888 /nfs/dbraw/zinc/15/28/88/1368152888.db2.gz PVBUITUIKOAOQN-KGVQNFEKSA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076622 1368152891 /nfs/dbraw/zinc/15/28/91/1368152891.db2.gz PVBUITUIKOAOQN-KGVQNFEKSA-N 2 2 344.503 3.302 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125868 1368750418 /nfs/dbraw/zinc/75/04/18/1368750418.db2.gz NIYJKQUELUFHRQ-INIZCTEOSA-N 2 2 346.519 3.190 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125868 1368750420 /nfs/dbraw/zinc/75/04/20/1368750420.db2.gz NIYJKQUELUFHRQ-INIZCTEOSA-N 2 2 346.519 3.190 20 0 EGADLP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537313 1368919364 /nfs/dbraw/zinc/91/93/64/1368919364.db2.gz ABKFOJLQTIPXLD-HBFSDRIKSA-N 2 2 346.519 3.243 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001112995200 1369127547 /nfs/dbraw/zinc/12/75/47/1369127547.db2.gz WYTKIGNGPCFSOD-SFHVURJKSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001112995199 1369127717 /nfs/dbraw/zinc/12/77/17/1369127717.db2.gz WYTKIGNGPCFSOD-GOSISDBHSA-N 2 2 348.535 3.441 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1)[NH+](CC)CC ZINC001113341285 1369359013 /nfs/dbraw/zinc/35/90/13/1369359013.db2.gz QQEXBMIUYOPGPT-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP C[NH+](C)[C@@]1(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872949 1369441606 /nfs/dbraw/zinc/44/16/06/1369441606.db2.gz XVBFXLKPECWDRJ-AZUAARDMSA-N 2 2 347.572 3.066 20 0 EGADLP C[NH+](C)[C@@]1(CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872949 1369441609 /nfs/dbraw/zinc/44/16/09/1369441609.db2.gz XVBFXLKPECWDRJ-AZUAARDMSA-N 2 2 347.572 3.066 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186747941 1388003607 /nfs/dbraw/zinc/00/36/07/1388003607.db2.gz NSBAFAHZFJAEAP-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183288 1369492281 /nfs/dbraw/zinc/49/22/81/1369492281.db2.gz YCNGVZSNKUGSBS-SFHVURJKSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCCC[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201260484 1369506586 /nfs/dbraw/zinc/50/65/86/1369506586.db2.gz OGBUJTXFBNQLSA-UHFFFAOYSA-N 2 2 328.460 3.337 20 0 EGADLP CC(C)=CCC[C@H](C)C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201488724 1369556292 /nfs/dbraw/zinc/55/62/92/1369556292.db2.gz YQBSIFHJZSBPAQ-SFHVURJKSA-N 2 2 341.503 3.369 20 0 EGADLP CC(C)=CCC[C@H](C)C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201488724 1369556295 /nfs/dbraw/zinc/55/62/95/1369556295.db2.gz YQBSIFHJZSBPAQ-SFHVURJKSA-N 2 2 341.503 3.369 20 0 EGADLP CC(C)=CCC[C@@H](C)C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201488723 1369556404 /nfs/dbraw/zinc/55/64/04/1369556404.db2.gz YQBSIFHJZSBPAQ-GOSISDBHSA-N 2 2 341.503 3.369 20 0 EGADLP CC(C)=CCC[C@@H](C)C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001201488723 1369556406 /nfs/dbraw/zinc/55/64/06/1369556406.db2.gz YQBSIFHJZSBPAQ-GOSISDBHSA-N 2 2 341.503 3.369 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560269 1369576092 /nfs/dbraw/zinc/57/60/92/1369576092.db2.gz QVBUQTRGFOEMFS-UXHICEINSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560269 1369576098 /nfs/dbraw/zinc/57/60/98/1369576098.db2.gz QVBUQTRGFOEMFS-UXHICEINSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201560269 1369576102 /nfs/dbraw/zinc/57/61/02/1369576102.db2.gz QVBUQTRGFOEMFS-UXHICEINSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201560269 1369576106 /nfs/dbraw/zinc/57/61/06/1369576106.db2.gz QVBUQTRGFOEMFS-UXHICEINSA-N 2 2 340.552 3.264 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)[C@H]1CCOC1 ZINC001202176827 1369708650 /nfs/dbraw/zinc/70/86/50/1369708650.db2.gz ZHEHHRXAUOLSGO-ZBFHGGJFSA-N 2 2 349.862 3.130 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](CC2CCOCC2)CC3)cs1 ZINC001202566814 1369808024 /nfs/dbraw/zinc/80/80/24/1369808024.db2.gz JJPFAWXQRUHTBB-UHFFFAOYSA-N 2 2 349.544 3.309 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](CC2CCOCC2)CC3)cs1 ZINC001202566814 1369808029 /nfs/dbraw/zinc/80/80/29/1369808029.db2.gz JJPFAWXQRUHTBB-UHFFFAOYSA-N 2 2 349.544 3.309 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857608 1369909592 /nfs/dbraw/zinc/90/95/92/1369909592.db2.gz VAAONHBCEFOWLK-HZPDHXFCSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1nn(C)c(C)c1C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001203063496 1369970279 /nfs/dbraw/zinc/97/02/79/1369970279.db2.gz IQSHTYZVVRETDP-UHFFFAOYSA-N 2 2 338.499 3.060 20 0 EGADLP Cc1nn(C)c(C)c1C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001203063496 1369970283 /nfs/dbraw/zinc/97/02/83/1369970283.db2.gz IQSHTYZVVRETDP-UHFFFAOYSA-N 2 2 338.499 3.060 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001203069001 1369971504 /nfs/dbraw/zinc/97/15/04/1369971504.db2.gz JRILUBQUJRKADC-IAGOWNOFSA-N 2 2 346.519 3.134 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](Cc2cccn2C)CC3)cs1 ZINC001203260171 1370046599 /nfs/dbraw/zinc/04/65/99/1370046599.db2.gz PTRFCOFTROAKQN-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](Cc2cccn2C)CC3)cs1 ZINC001203260171 1370046605 /nfs/dbraw/zinc/04/66/05/1370046605.db2.gz PTRFCOFTROAKQN-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337736 1370088312 /nfs/dbraw/zinc/08/83/12/1370088312.db2.gz RTULUNCVBUIYNS-UHFFFAOYSA-N 2 2 334.508 3.094 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203961082 1370332313 /nfs/dbraw/zinc/33/23/13/1370332313.db2.gz AHQHLEABTRNISY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1 ZINC001203961082 1370332316 /nfs/dbraw/zinc/33/23/16/1370332316.db2.gz AHQHLEABTRNISY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1 ZINC001203961082 1370332320 /nfs/dbraw/zinc/33/23/20/1370332320.db2.gz AHQHLEABTRNISY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1 ZINC001203961082 1370332321 /nfs/dbraw/zinc/33/23/21/1370332321.db2.gz AHQHLEABTRNISY-NRFANRHFSA-N 2 2 346.515 3.408 20 0 EGADLP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(Br)c3ccccc23)CCO1 ZINC001204756931 1370568013 /nfs/dbraw/zinc/56/80/13/1370568013.db2.gz UKMDZGFIGIOWCI-AWEZNQCLSA-N 2 2 349.272 3.152 20 0 EGADLP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(Br)c3ccccc23)CCO1 ZINC001204756931 1370568021 /nfs/dbraw/zinc/56/80/21/1370568021.db2.gz UKMDZGFIGIOWCI-AWEZNQCLSA-N 2 2 349.272 3.152 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204771040 1370572120 /nfs/dbraw/zinc/57/21/20/1370572120.db2.gz MGFRYWLBJUGZNZ-FQEVSTJZSA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@](C)([NH3+])C3)cc2)cc1 ZINC001204771040 1370572123 /nfs/dbraw/zinc/57/21/23/1370572123.db2.gz MGFRYWLBJUGZNZ-FQEVSTJZSA-N 2 2 325.456 3.386 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1Cc2ccc(Br)cc2C1 ZINC001204877456 1370594423 /nfs/dbraw/zinc/59/44/23/1370594423.db2.gz JMLGQCXSVHSWFV-YGRLFVJLSA-N 2 2 345.231 3.256 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1Cc2ccc(Br)cc2C1 ZINC001204877456 1370594427 /nfs/dbraw/zinc/59/44/27/1370594427.db2.gz JMLGQCXSVHSWFV-YGRLFVJLSA-N 2 2 345.231 3.256 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])cc2)cc1 ZINC001204931342 1370608221 /nfs/dbraw/zinc/60/82/21/1370608221.db2.gz BCZQIBJDJCCUDC-HXUWFJFHSA-N 2 2 338.451 3.453 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C[NH3+])cc2)cc1 ZINC001204931342 1370608226 /nfs/dbraw/zinc/60/82/26/1370608226.db2.gz BCZQIBJDJCCUDC-HXUWFJFHSA-N 2 2 338.451 3.453 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655851 1370642004 /nfs/dbraw/zinc/64/20/04/1370642004.db2.gz NMVSRBLLISKVGT-PLNGDYQASA-N 2 2 346.519 3.428 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1Br ZINC001205124545 1370658197 /nfs/dbraw/zinc/65/81/97/1370658197.db2.gz USGTWSOBQORVEN-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1Br ZINC001205124545 1370658199 /nfs/dbraw/zinc/65/81/99/1370658199.db2.gz USGTWSOBQORVEN-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)ccc1F ZINC001205171562 1370668949 /nfs/dbraw/zinc/66/89/49/1370668949.db2.gz HRQURCPYWATYPD-QZTJIDSGSA-N 2 2 325.431 3.093 20 0 EGADLP C[NH+](C)CCCOc1ccc(-c2cc(F)c(C[NH+](C)C)c(F)c2)cn1 ZINC001205255209 1370697209 /nfs/dbraw/zinc/69/72/09/1370697209.db2.gz CMEXVNXZXFVYLK-UHFFFAOYSA-N 2 2 349.425 3.419 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1)n1cc[nH+]c1 ZINC001115752831 1370734622 /nfs/dbraw/zinc/73/46/22/1370734622.db2.gz XEPHNAFMLLFNPR-LXPRWKDFSA-N 2 2 346.519 3.289 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790758 1370772784 /nfs/dbraw/zinc/77/27/84/1370772784.db2.gz ZJOQLJJFFQECGN-PLNGDYQASA-N 2 2 332.492 3.107 20 0 EGADLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001205578608 1370798943 /nfs/dbraw/zinc/79/89/43/1370798943.db2.gz GVCSIOVOKPMBEO-KRWDZBQOSA-N 3 2 336.842 3.179 20 0 EGADLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001205578608 1370798944 /nfs/dbraw/zinc/79/89/44/1370798944.db2.gz GVCSIOVOKPMBEO-KRWDZBQOSA-N 3 2 336.842 3.179 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599554 1370805969 /nfs/dbraw/zinc/80/59/69/1370805969.db2.gz STDNNLJITAKUHS-UHFFFAOYSA-N 2 2 327.472 3.243 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599554 1370805970 /nfs/dbraw/zinc/80/59/70/1370805970.db2.gz STDNNLJITAKUHS-UHFFFAOYSA-N 2 2 327.472 3.243 20 0 EGADLP CC[C@H](C)C[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205727412 1370853612 /nfs/dbraw/zinc/85/36/12/1370853612.db2.gz DOYZSZQKWAJKFN-AWEZNQCLSA-N 2 2 331.504 3.495 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205855607 1370893759 /nfs/dbraw/zinc/89/37/59/1370893759.db2.gz OESHKIQKQGSPDD-ZBFHGGJFSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])c2c1 ZINC001205855607 1370893764 /nfs/dbraw/zinc/89/37/64/1370893764.db2.gz OESHKIQKQGSPDD-ZBFHGGJFSA-N 2 2 328.456 3.416 20 0 EGADLP COC(=O)[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078603 1370956202 /nfs/dbraw/zinc/95/62/02/1370956202.db2.gz WRYKLTTWKXIZSP-MOPGFXCFSA-N 2 2 346.515 3.464 20 0 EGADLP COC(=O)[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078603 1370956208 /nfs/dbraw/zinc/95/62/08/1370956208.db2.gz WRYKLTTWKXIZSP-MOPGFXCFSA-N 2 2 346.515 3.464 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@@H]1F ZINC001206164608 1370977163 /nfs/dbraw/zinc/97/71/63/1370977163.db2.gz KXSGOEAJZHPEHP-KBPBESRZSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@@H]1F ZINC001206164608 1370977161 /nfs/dbraw/zinc/97/71/61/1370977161.db2.gz KXSGOEAJZHPEHP-KBPBESRZSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@H]1F ZINC001206164609 1370977643 /nfs/dbraw/zinc/97/76/43/1370977643.db2.gz KXSGOEAJZHPEHP-KGLIPLIRSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@H]1F ZINC001206164609 1370977646 /nfs/dbraw/zinc/97/76/46/1370977646.db2.gz KXSGOEAJZHPEHP-KGLIPLIRSA-N 2 2 340.240 3.192 20 0 EGADLP CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238103 1370999975 /nfs/dbraw/zinc/99/99/75/1370999975.db2.gz GJGAOYMDVBDJRT-QGZVFWFLSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001206269509 1371009006 /nfs/dbraw/zinc/00/90/06/1371009006.db2.gz OWHAEZOSQOHHMQ-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001206269509 1371009016 /nfs/dbraw/zinc/00/90/16/1371009016.db2.gz OWHAEZOSQOHHMQ-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP CS[C@H]1CC[C@H]([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133971 1371014031 /nfs/dbraw/zinc/01/40/31/1371014031.db2.gz RYVNAMXLWKMJOT-PMACEKPBSA-N 2 2 347.572 3.415 20 0 EGADLP CS[C@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133971 1371014035 /nfs/dbraw/zinc/01/40/35/1371014035.db2.gz RYVNAMXLWKMJOT-PMACEKPBSA-N 2 2 347.572 3.415 20 0 EGADLP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428294 1371051759 /nfs/dbraw/zinc/05/17/59/1371051759.db2.gz XAYSUWYPJNWKOP-BDUNBXCCSA-N 2 2 332.492 3.019 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001206500716 1371074936 /nfs/dbraw/zinc/07/49/36/1371074936.db2.gz QAAATBSPUZQMKZ-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2c(F)cc(F)cc2Br)CC1 ZINC001206506704 1371076628 /nfs/dbraw/zinc/07/66/28/1371076628.db2.gz MGNBHRPRPKZKAS-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2cc(F)c(F)c(Br)c2)CC1 ZINC001206506681 1371076956 /nfs/dbraw/zinc/07/69/56/1371076956.db2.gz KZLUCRFRBHGJPG-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC001206548176 1371090133 /nfs/dbraw/zinc/09/01/33/1371090133.db2.gz ICKBYNPSUJAAFP-HNNXBMFYSA-N 2 2 327.266 3.106 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC001206548176 1371090136 /nfs/dbraw/zinc/09/01/36/1371090136.db2.gz ICKBYNPSUJAAFP-HNNXBMFYSA-N 2 2 327.266 3.106 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639095 1371115864 /nfs/dbraw/zinc/11/58/64/1371115864.db2.gz BGMLAOVMCATSHH-ZDUSSCGKSA-N 2 2 341.293 3.327 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206639095 1371115866 /nfs/dbraw/zinc/11/58/66/1371115866.db2.gz BGMLAOVMCATSHH-ZDUSSCGKSA-N 2 2 341.293 3.327 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805256 1371174487 /nfs/dbraw/zinc/17/44/87/1371174487.db2.gz BAUHKTGFVWVRHB-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206805256 1371174484 /nfs/dbraw/zinc/17/44/84/1371174484.db2.gz BAUHKTGFVWVRHB-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP Fc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c(F)c1 ZINC001207097453 1371292582 /nfs/dbraw/zinc/29/25/82/1371292582.db2.gz YKQKSBRYBKRDNT-UHFFFAOYSA-N 2 2 347.409 3.441 20 0 EGADLP Fc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(F)c1 ZINC001207097453 1371292587 /nfs/dbraw/zinc/29/25/87/1371292587.db2.gz YKQKSBRYBKRDNT-UHFFFAOYSA-N 2 2 347.409 3.441 20 0 EGADLP Clc1cccc([C@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC001119610630 1371374767 /nfs/dbraw/zinc/37/47/67/1371374767.db2.gz BETQESSNKPAVMK-SJLPKXTDSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1cccc([C@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC001119610630 1371374773 /nfs/dbraw/zinc/37/47/73/1371374773.db2.gz BETQESSNKPAVMK-SJLPKXTDSA-N 2 2 345.878 3.193 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(F)cc1)[C@H]2C ZINC001207514172 1371422413 /nfs/dbraw/zinc/42/24/13/1371422413.db2.gz VSACDLVHQYCAAU-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(F)cc1)[C@H]2C ZINC001207514172 1371422416 /nfs/dbraw/zinc/42/24/16/1371422416.db2.gz VSACDLVHQYCAAU-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccc(F)cc1)[C@H]2C ZINC001207514172 1371422418 /nfs/dbraw/zinc/42/24/18/1371422418.db2.gz VSACDLVHQYCAAU-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccc(F)cc1)[C@H]2C ZINC001207514172 1371422420 /nfs/dbraw/zinc/42/24/20/1371422420.db2.gz VSACDLVHQYCAAU-INIZCTEOSA-N 2 2 344.478 3.482 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001120248847 1371513673 /nfs/dbraw/zinc/51/36/73/1371513673.db2.gz YVINBXNJCVXVOG-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)CC2)cc1 ZINC001207831960 1371514516 /nfs/dbraw/zinc/51/45/16/1371514516.db2.gz IKBRXRVJTMUUGX-OALUTQOASA-N 2 2 333.479 3.177 20 0 EGADLP Cc1ccc([C@H](C)CC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)o1 ZINC001208160060 1371613308 /nfs/dbraw/zinc/61/33/08/1371613308.db2.gz IMVFXGLECQQBCW-CQSZACIVSA-N 2 2 340.427 3.373 20 0 EGADLP Cc1ccc([C@H](C)CC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)o1 ZINC001208160060 1371613314 /nfs/dbraw/zinc/61/33/14/1371613314.db2.gz IMVFXGLECQQBCW-CQSZACIVSA-N 2 2 340.427 3.373 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC001208185835 1371625963 /nfs/dbraw/zinc/62/59/63/1371625963.db2.gz IVTCNELBVRKMAH-SFTDATJTSA-N 3 2 341.543 3.172 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]CCCC(C)(C)C)C2)c[nH+]1 ZINC001208411658 1371758418 /nfs/dbraw/zinc/75/84/18/1371758418.db2.gz ZOKYVFKECVNIRR-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833802 1371777789 /nfs/dbraw/zinc/77/77/89/1371777789.db2.gz QRGSOYBZMOKHEN-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833802 1371777798 /nfs/dbraw/zinc/77/77/98/1371777798.db2.gz QRGSOYBZMOKHEN-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001120833802 1371777801 /nfs/dbraw/zinc/77/78/01/1371777801.db2.gz QRGSOYBZMOKHEN-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001120833802 1371777804 /nfs/dbraw/zinc/77/78/04/1371777804.db2.gz QRGSOYBZMOKHEN-HZPDHXFCSA-N 2 2 329.492 3.142 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC001208614420 1371841455 /nfs/dbraw/zinc/84/14/55/1371841455.db2.gz DDUTXYYODKZFJV-AWEZNQCLSA-N 2 2 342.314 3.457 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC001208614420 1371841458 /nfs/dbraw/zinc/84/14/58/1371841458.db2.gz DDUTXYYODKZFJV-AWEZNQCLSA-N 2 2 342.314 3.457 20 0 EGADLP CCC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614966 1371841863 /nfs/dbraw/zinc/84/18/63/1371841863.db2.gz FZXSZNYGRNLSLQ-ROUUACIJSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614966 1371841866 /nfs/dbraw/zinc/84/18/66/1371841866.db2.gz FZXSZNYGRNLSLQ-ROUUACIJSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614966 1371841871 /nfs/dbraw/zinc/84/18/71/1371841871.db2.gz FZXSZNYGRNLSLQ-ROUUACIJSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614966 1371841876 /nfs/dbraw/zinc/84/18/76/1371841876.db2.gz FZXSZNYGRNLSLQ-ROUUACIJSA-N 2 2 331.504 3.376 20 0 EGADLP C[C@@H](CC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)CC(C)(C)C ZINC001208660556 1371854485 /nfs/dbraw/zinc/85/44/85/1371854485.db2.gz RNENMZNGJYBZHW-KRWDZBQOSA-N 2 2 343.519 3.448 20 0 EGADLP C[C@@H](CC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1)CC(C)(C)C ZINC001208660556 1371854490 /nfs/dbraw/zinc/85/44/90/1371854490.db2.gz RNENMZNGJYBZHW-KRWDZBQOSA-N 2 2 343.519 3.448 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208700459 1371867494 /nfs/dbraw/zinc/86/74/94/1371867494.db2.gz JRZBKCJPQARZSE-GHTZIAJQSA-N 2 2 346.515 3.167 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208700459 1371867501 /nfs/dbraw/zinc/86/75/01/1371867501.db2.gz JRZBKCJPQARZSE-GHTZIAJQSA-N 2 2 346.515 3.167 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208764871 1371887544 /nfs/dbraw/zinc/88/75/44/1371887544.db2.gz DWVWHQMCIBKTDP-WOJBJXKFSA-N 2 2 339.458 3.217 20 0 EGADLP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208805230 1371901461 /nfs/dbraw/zinc/90/14/61/1371901461.db2.gz AWQCIFXSCXHBQS-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP CC[NH+]1CCC([N@H+](C)C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208937081 1371954612 /nfs/dbraw/zinc/95/46/12/1371954612.db2.gz RABPATGYDILWNF-HXUWFJFHSA-N 3 2 329.532 3.315 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208937081 1371954623 /nfs/dbraw/zinc/95/46/23/1371954623.db2.gz RABPATGYDILWNF-HXUWFJFHSA-N 3 2 329.532 3.315 20 0 EGADLP CC[NH+]1CCC([NH+](C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937081 1371954629 /nfs/dbraw/zinc/95/46/29/1371954629.db2.gz RABPATGYDILWNF-HXUWFJFHSA-N 3 2 329.532 3.315 20 0 EGADLP CC[NH+]1CCC([NH+](C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937081 1371954636 /nfs/dbraw/zinc/95/46/36/1371954636.db2.gz RABPATGYDILWNF-HXUWFJFHSA-N 3 2 329.532 3.315 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121500957 1371993691 /nfs/dbraw/zinc/99/36/91/1371993691.db2.gz LRXJQMZFNNZSAE-SNAWJCMRSA-N 2 2 344.503 3.037 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]2C ZINC001209378264 1372082510 /nfs/dbraw/zinc/08/25/10/1372082510.db2.gz COGOVRIOMHSENI-MHORFTMASA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]2C ZINC001209378264 1372082514 /nfs/dbraw/zinc/08/25/14/1372082514.db2.gz COGOVRIOMHSENI-MHORFTMASA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]2C ZINC001209378264 1372082518 /nfs/dbraw/zinc/08/25/18/1372082518.db2.gz COGOVRIOMHSENI-MHORFTMASA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]2C ZINC001209378264 1372082522 /nfs/dbraw/zinc/08/25/22/1372082522.db2.gz COGOVRIOMHSENI-MHORFTMASA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121849079 1372100944 /nfs/dbraw/zinc/10/09/44/1372100944.db2.gz VJXBVFFEBKIDBK-UFQJCFOOSA-N 2 2 346.519 3.287 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001209972033 1372244327 /nfs/dbraw/zinc/24/43/27/1372244327.db2.gz GSAKAKZHAYMAJW-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001209972033 1372244331 /nfs/dbraw/zinc/24/43/31/1372244331.db2.gz GSAKAKZHAYMAJW-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210668642 1372403482 /nfs/dbraw/zinc/40/34/82/1372403482.db2.gz OGIUGOZHARYOLU-MOEXGYKKSA-N 2 2 332.492 3.014 20 0 EGADLP c1ccc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c(C[NH+]2CCOCC2)c1 ZINC001210714102 1372412576 /nfs/dbraw/zinc/41/25/76/1372412576.db2.gz KDLZKQCTSIFCDV-FQEVSTJZSA-N 2 2 341.499 3.463 20 0 EGADLP COc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc(C)[nH+]1 ZINC001210780794 1372425396 /nfs/dbraw/zinc/42/53/96/1372425396.db2.gz HHBMEMXVFIRNCF-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP c1c[nH+]c(N2CCCCC2)c(Nc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001212990407 1372814014 /nfs/dbraw/zinc/81/40/14/1372814014.db2.gz QHCIQGZHKJLCTN-UHFFFAOYSA-N 2 2 339.443 3.047 20 0 EGADLP Cc1[nH]c2ccc(Nc3ccc(CC[NH+]4CCOCC4)cc3)cc2[nH+]1 ZINC001213075499 1372834578 /nfs/dbraw/zinc/83/45/78/1372834578.db2.gz UOUZRKKRPPZKBX-UHFFFAOYSA-N 2 2 336.439 3.490 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001129891373 1373432419 /nfs/dbraw/zinc/43/24/19/1373432419.db2.gz JLKFVUNDAPKAPU-BMGDILEWSA-N 2 2 340.471 3.104 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001129891373 1373432423 /nfs/dbraw/zinc/43/24/23/1373432423.db2.gz JLKFVUNDAPKAPU-BMGDILEWSA-N 2 2 340.471 3.104 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001130269127 1373482052 /nfs/dbraw/zinc/48/20/52/1373482052.db2.gz ZZXNFIPBXVBLOC-HUUCEWRRSA-N 2 2 328.460 3.099 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001218811847 1373656164 /nfs/dbraw/zinc/65/61/64/1373656164.db2.gz LGRQQXAIBGISTD-ZWKOTPCHSA-N 2 2 346.434 3.204 20 0 EGADLP Cc1nc2cc(Cl)c(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)cc2o1 ZINC001218913352 1373666229 /nfs/dbraw/zinc/66/62/29/1373666229.db2.gz SHAGBWDYCVILHH-ZDUSSCGKSA-N 2 2 344.802 3.000 20 0 EGADLP COc1cccc([C@H](C)[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131562801 1373721264 /nfs/dbraw/zinc/72/12/64/1373721264.db2.gz KUGYFDDLSZGOGM-HNNXBMFYSA-N 2 2 341.455 3.096 20 0 EGADLP Nc1ccc(OC(F)(F)F)cc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292920 1373826032 /nfs/dbraw/zinc/82/60/32/1373826032.db2.gz MSDKEJOHBSQOHB-UHFFFAOYSA-N 2 2 343.393 3.276 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024889 1375104003 /nfs/dbraw/zinc/10/40/03/1375104003.db2.gz JPAFASGLPWKJRK-FUHWJXTLSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024889 1375104009 /nfs/dbraw/zinc/10/40/09/1375104009.db2.gz JPAFASGLPWKJRK-FUHWJXTLSA-N 2 2 344.503 3.202 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041405 1375112831 /nfs/dbraw/zinc/11/28/31/1375112831.db2.gz DKZCLVZGBFPDDT-QAPCUYQASA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132041405 1375112833 /nfs/dbraw/zinc/11/28/33/1375112833.db2.gz DKZCLVZGBFPDDT-QAPCUYQASA-N 2 2 342.487 3.416 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CCCCCF ZINC001132132428 1375162713 /nfs/dbraw/zinc/16/27/13/1375162713.db2.gz QVEKBSQGOHQYOU-GOEBONIOSA-N 2 2 346.450 3.285 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)n1cc[nH+]c1 ZINC001226965874 1375373856 /nfs/dbraw/zinc/37/38/56/1375373856.db2.gz ZUQKZKHLIOHHHW-GUDVDZBRSA-N 2 2 346.519 3.287 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138751 1375395862 /nfs/dbraw/zinc/39/58/62/1375395862.db2.gz QHXHUTHAJBOXIE-SFHVURJKSA-N 2 2 340.471 3.074 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001227166928 1375400995 /nfs/dbraw/zinc/40/09/95/1375400995.db2.gz WPGTZRVQNGISIV-GVDBMIGSSA-N 2 2 346.519 3.030 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001227166928 1375400998 /nfs/dbraw/zinc/40/09/98/1375400998.db2.gz WPGTZRVQNGISIV-GVDBMIGSSA-N 2 2 346.519 3.030 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001132919540 1375643985 /nfs/dbraw/zinc/64/39/85/1375643985.db2.gz LKLNYHOHLAYVEC-PBHICJAKSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228853942 1375694679 /nfs/dbraw/zinc/69/46/79/1375694679.db2.gz TVSPCOIPCPWISO-RCCFBDPRSA-N 2 2 334.508 3.287 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001228853557 1375694701 /nfs/dbraw/zinc/69/47/01/1375694701.db2.gz SBXLCAYFBZYFKA-DJIMGWMZSA-N 2 2 346.500 3.113 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229046051 1375750916 /nfs/dbraw/zinc/75/09/16/1375750916.db2.gz ICNFFPWRWFCJLJ-KBAYOESNSA-N 2 2 334.508 3.186 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001229046051 1375750918 /nfs/dbraw/zinc/75/09/18/1375750918.db2.gz ICNFFPWRWFCJLJ-KBAYOESNSA-N 2 2 334.508 3.186 20 0 EGADLP CCCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001133407331 1375991439 /nfs/dbraw/zinc/99/14/39/1375991439.db2.gz CPCSNZSZBSFTCA-UHFFFAOYSA-N 2 2 348.878 3.024 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344085 1376004096 /nfs/dbraw/zinc/00/40/96/1376004096.db2.gz APVXIOIDVDOJQC-NYQZOWANSA-N 2 2 346.519 3.427 20 0 EGADLP FC(F)(F)c1cc(Cl)c(C[N@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001231902185 1376342060 /nfs/dbraw/zinc/34/20/60/1376342060.db2.gz CTYIPLNTZKQIEP-UHFFFAOYSA-N 2 2 330.741 3.009 20 0 EGADLP FC(F)(F)c1cc(Cl)c(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001231902185 1376342067 /nfs/dbraw/zinc/34/20/67/1376342067.db2.gz CTYIPLNTZKQIEP-UHFFFAOYSA-N 2 2 330.741 3.009 20 0 EGADLP c1c2ccncc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232094131 1376398408 /nfs/dbraw/zinc/39/84/08/1376398408.db2.gz JSTDZBUIZQGTOC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccncc2[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232094131 1376398411 /nfs/dbraw/zinc/39/84/11/1376398411.db2.gz JSTDZBUIZQGTOC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccncc2[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232094131 1376398413 /nfs/dbraw/zinc/39/84/13/1376398413.db2.gz JSTDZBUIZQGTOC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccncc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232094131 1376398417 /nfs/dbraw/zinc/39/84/17/1376398417.db2.gz JSTDZBUIZQGTOC-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001232145108 1376409281 /nfs/dbraw/zinc/40/92/81/1376409281.db2.gz VNMCLURXWBUPLR-UHFFFAOYSA-N 2 2 342.414 3.174 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001232145108 1376409284 /nfs/dbraw/zinc/40/92/84/1376409284.db2.gz VNMCLURXWBUPLR-UHFFFAOYSA-N 2 2 342.414 3.174 20 0 EGADLP Cc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1OC(C)C ZINC001232392464 1376453833 /nfs/dbraw/zinc/45/38/33/1376453833.db2.gz UPTRAJVQTMVCEW-UHFFFAOYSA-N 2 2 345.487 3.412 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369956 1376497506 /nfs/dbraw/zinc/49/75/06/1376497506.db2.gz VEBYCCUSJJWAOE-HUUCEWRRSA-N 2 2 328.460 3.095 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544982 1376585271 /nfs/dbraw/zinc/58/52/71/1376585271.db2.gz KONWHUCJPVODDR-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544982 1376585275 /nfs/dbraw/zinc/58/52/75/1376585275.db2.gz KONWHUCJPVODDR-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP CCC(CC)C[N@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001327228847 1388453392 /nfs/dbraw/zinc/45/33/92/1388453392.db2.gz AWBHSALXNBMRDJ-UHFFFAOYSA-N 2 2 330.476 3.164 20 0 EGADLP CCC(CC)C[N@@H+](C)CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001327228847 1388453397 /nfs/dbraw/zinc/45/33/97/1388453397.db2.gz AWBHSALXNBMRDJ-UHFFFAOYSA-N 2 2 330.476 3.164 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)ccc1-n1cc[nH+]c1 ZINC001234033289 1376757389 /nfs/dbraw/zinc/75/73/89/1376757389.db2.gz RFVRQUUZLVTOQU-INIZCTEOSA-N 2 2 339.361 3.450 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969231 1376818595 /nfs/dbraw/zinc/81/85/95/1376818595.db2.gz KTXTYKDAIRHPSQ-JKSUJKDBSA-N 2 2 336.439 3.021 20 0 EGADLP Cc1cc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235021429 1376828642 /nfs/dbraw/zinc/82/86/42/1376828642.db2.gz HUKFRPOLIMWDQI-OAQYLSRUSA-N 2 2 346.515 3.293 20 0 EGADLP Cc1cc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235021429 1376828645 /nfs/dbraw/zinc/82/86/45/1376828645.db2.gz HUKFRPOLIMWDQI-OAQYLSRUSA-N 2 2 346.515 3.293 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccsc1)CC2 ZINC001235020673 1376829203 /nfs/dbraw/zinc/82/92/03/1376829203.db2.gz VLNYCNCGOBIDFP-UHFFFAOYSA-N 2 2 328.481 3.394 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccsc1)CC2 ZINC001235020673 1376829207 /nfs/dbraw/zinc/82/92/07/1376829207.db2.gz VLNYCNCGOBIDFP-UHFFFAOYSA-N 2 2 328.481 3.394 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235023734 1376829467 /nfs/dbraw/zinc/82/94/67/1376829467.db2.gz WMYRITJPGVDPGC-FQEVSTJZSA-N 2 2 332.488 3.066 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235023734 1376829468 /nfs/dbraw/zinc/82/94/68/1376829468.db2.gz WMYRITJPGVDPGC-FQEVSTJZSA-N 2 2 332.488 3.066 20 0 EGADLP Cc1nnc(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)o1 ZINC001235044953 1376839877 /nfs/dbraw/zinc/83/98/77/1376839877.db2.gz LUMIBHKNYQWCAI-UHFFFAOYSA-N 2 2 340.471 3.495 20 0 EGADLP CCCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044063 1376865070 /nfs/dbraw/zinc/86/50/70/1376865070.db2.gz OFVLZCJWPQKPEU-WBVHZDCISA-N 2 2 349.519 3.310 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2cncs2)c(C)[nH+]1 ZINC001135044114 1376865700 /nfs/dbraw/zinc/86/57/00/1376865700.db2.gz OSIFOLDMFUCDJF-OCCSQVGLSA-N 2 2 346.500 3.150 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CC1CCCCCC1 ZINC001135057369 1376872768 /nfs/dbraw/zinc/87/27/68/1376872768.db2.gz SZXGIRFOXZWCQR-SJORKVTESA-N 2 2 348.535 3.196 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001235873919 1376906888 /nfs/dbraw/zinc/90/68/88/1376906888.db2.gz ZXHCTYSTNCRFSP-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001235873919 1376906897 /nfs/dbraw/zinc/90/68/97/1376906897.db2.gz ZXHCTYSTNCRFSP-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)nc1 ZINC001235873919 1376906910 /nfs/dbraw/zinc/90/69/10/1376906910.db2.gz ZXHCTYSTNCRFSP-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)nc1 ZINC001235873919 1376906916 /nfs/dbraw/zinc/90/69/16/1376906916.db2.gz ZXHCTYSTNCRFSP-OALUTQOASA-N 2 2 345.487 3.097 20 0 EGADLP Fc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Br)c1F ZINC001236006019 1376925649 /nfs/dbraw/zinc/92/56/49/1376925649.db2.gz MQJSBSCJWASWFO-UHFFFAOYSA-N 2 2 345.231 3.303 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236182821 1376939633 /nfs/dbraw/zinc/93/96/33/1376939633.db2.gz QRWOCYRRIIDKPV-UHFFFAOYSA-N 3 2 332.451 3.150 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236182821 1376939634 /nfs/dbraw/zinc/93/96/34/1376939634.db2.gz QRWOCYRRIIDKPV-UHFFFAOYSA-N 3 2 332.451 3.150 20 0 EGADLP COc1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(OC)n1 ZINC001237561926 1376981338 /nfs/dbraw/zinc/98/13/38/1376981338.db2.gz LGAUSSAVWSKJFR-UHFFFAOYSA-N 2 2 347.503 3.328 20 0 EGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(OC)n1 ZINC001237561926 1376981344 /nfs/dbraw/zinc/98/13/44/1376981344.db2.gz LGAUSSAVWSKJFR-UHFFFAOYSA-N 2 2 347.503 3.328 20 0 EGADLP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001327266368 1388473148 /nfs/dbraw/zinc/47/31/48/1388473148.db2.gz YGRDBTZGHLWVOV-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001327266368 1388473152 /nfs/dbraw/zinc/47/31/52/1388473152.db2.gz YGRDBTZGHLWVOV-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3cc(F)cc4cc[nH]c43)CC2)CC1 ZINC001249525815 1377075285 /nfs/dbraw/zinc/07/52/85/1377075285.db2.gz DCFMAVGSZNGQCA-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364505 1377296883 /nfs/dbraw/zinc/29/68/83/1377296883.db2.gz WZFBFRXQHQONSV-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266364505 1377296884 /nfs/dbraw/zinc/29/68/84/1377296884.db2.gz WZFBFRXQHQONSV-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001267153308 1377418407 /nfs/dbraw/zinc/41/84/07/1377418407.db2.gz GALAEYYWOIEFSC-OAHLLOKOSA-N 2 2 334.508 3.106 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4nc3OC)C[C@@H]2C1 ZINC001137207990 1377496934 /nfs/dbraw/zinc/49/69/34/1377496934.db2.gz GPQFZXFLOFILQE-HDICACEKSA-N 2 2 325.456 3.017 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4nc3OC)C[C@@H]2C1 ZINC001137207990 1377496935 /nfs/dbraw/zinc/49/69/35/1377496935.db2.gz GPQFZXFLOFILQE-HDICACEKSA-N 2 2 325.456 3.017 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccccc4nc3OC)C[C@@H]2C1 ZINC001137207990 1377496936 /nfs/dbraw/zinc/49/69/36/1377496936.db2.gz GPQFZXFLOFILQE-HDICACEKSA-N 2 2 325.456 3.017 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccccc4nc3OC)C[C@@H]2C1 ZINC001137207990 1377496937 /nfs/dbraw/zinc/49/69/37/1377496937.db2.gz GPQFZXFLOFILQE-HDICACEKSA-N 2 2 325.456 3.017 20 0 EGADLP Cc1c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)nc2ccccn12 ZINC001137275614 1377508487 /nfs/dbraw/zinc/50/84/87/1377508487.db2.gz DMXHKNSACFNKNT-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)nc2ccccn12 ZINC001137275614 1377508490 /nfs/dbraw/zinc/50/84/90/1377508490.db2.gz DMXHKNSACFNKNT-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1ccc2ncc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)n2c1 ZINC001137312159 1377515109 /nfs/dbraw/zinc/51/51/09/1377515109.db2.gz JUNZXNZJQMRSPF-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1ccc2ncc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)n2c1 ZINC001137312159 1377515115 /nfs/dbraw/zinc/51/51/15/1377515115.db2.gz JUNZXNZJQMRSPF-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncnc3)C[C@@H]21 ZINC001137666214 1377585600 /nfs/dbraw/zinc/58/56/00/1377585600.db2.gz RZICFXTXVVUZKB-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncnc3)C[C@@H]21 ZINC001137666214 1377585602 /nfs/dbraw/zinc/58/56/02/1377585602.db2.gz RZICFXTXVVUZKB-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncnc3)C[C@@H]21 ZINC001137666214 1377585603 /nfs/dbraw/zinc/58/56/03/1377585603.db2.gz RZICFXTXVVUZKB-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncnc3)C[C@@H]21 ZINC001137666214 1377585605 /nfs/dbraw/zinc/58/56/05/1377585605.db2.gz RZICFXTXVVUZKB-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001270456728 1377606910 /nfs/dbraw/zinc/60/69/10/1377606910.db2.gz RYUAXOLITSPZME-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001270456728 1377606916 /nfs/dbraw/zinc/60/69/16/1377606916.db2.gz RYUAXOLITSPZME-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001138435515 1377723862 /nfs/dbraw/zinc/72/38/62/1377723862.db2.gz HGRLEOJHIVOQJV-UHFFFAOYSA-N 2 2 346.515 3.469 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001138435515 1377723863 /nfs/dbraw/zinc/72/38/63/1377723863.db2.gz HGRLEOJHIVOQJV-UHFFFAOYSA-N 2 2 346.515 3.469 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnc5ccccc5n4)C[C@@H]3C2)cc1 ZINC001138866481 1377797528 /nfs/dbraw/zinc/79/75/28/1377797528.db2.gz IHJQPQLTBGXKIO-OALUTQOASA-N 2 2 344.462 3.194 20 0 EGADLP COc1ccc2c(c1)c(C[NH+]1CCC([NH+]3CCCC3)CC1)cn2C ZINC001139143894 1377838260 /nfs/dbraw/zinc/83/82/60/1377838260.db2.gz GDKFMWFRFASFCU-UHFFFAOYSA-N 2 2 327.472 3.247 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c21 ZINC001139194440 1377848648 /nfs/dbraw/zinc/84/86/48/1377848648.db2.gz MOVJTJILFLWIMO-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP C[NH+]1CCC(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CC1 ZINC001139360374 1377874220 /nfs/dbraw/zinc/87/42/20/1377874220.db2.gz QLVVOJNIUAKFGB-UHFFFAOYSA-N 3 2 338.499 3.426 20 0 EGADLP CCC(=O)N(CC)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139363727 1377874736 /nfs/dbraw/zinc/87/47/36/1377874736.db2.gz JKBCPRWRFIUFMW-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139763631 1377947921 /nfs/dbraw/zinc/94/79/21/1377947921.db2.gz QNJXBODURPKRLB-MSOLQXFVSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139763631 1377947923 /nfs/dbraw/zinc/94/79/23/1377947923.db2.gz QNJXBODURPKRLB-MSOLQXFVSA-N 2 2 332.488 3.018 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc5ccccc5cn4)C[C@@H]3C2)nc1 ZINC001139997987 1377989672 /nfs/dbraw/zinc/98/96/72/1377989672.db2.gz QBKIQYNDBONRHT-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2cccc(C)n2)CC1 ZINC001140023672 1377991833 /nfs/dbraw/zinc/99/18/33/1377991833.db2.gz VCQLEVIUGUCDQA-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001140027595 1377992785 /nfs/dbraw/zinc/99/27/85/1377992785.db2.gz RLEUQEKLAUYRIB-SFHVURJKSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001140027595 1377992795 /nfs/dbraw/zinc/99/27/95/1377992795.db2.gz RLEUQEKLAUYRIB-SFHVURJKSA-N 2 2 334.423 3.229 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5cnccc54)C[C@@H]3C2)nc1 ZINC001140141836 1378020065 /nfs/dbraw/zinc/02/00/65/1378020065.db2.gz SOQKZPLKIGHPLL-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3cccc(Cl)c13)CC2 ZINC001140435807 1378062551 /nfs/dbraw/zinc/06/25/51/1378062551.db2.gz FFZJOHGOITXDMR-UHFFFAOYSA-N 2 2 346.862 3.451 20 0 EGADLP Cc1ccc(Br)cc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001140646333 1378104417 /nfs/dbraw/zinc/10/44/17/1378104417.db2.gz ZDXBBXKHFNOLQY-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP Brc1ccc2c(C3C[NH+](Cc4cc[nH]c4)C3)[nH+]cn2c1 ZINC001140709324 1378120491 /nfs/dbraw/zinc/12/04/91/1378120491.db2.gz YQGQXINMJPQSCL-UHFFFAOYSA-N 2 2 331.217 3.024 20 0 EGADLP c1oc2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140783053 1378134952 /nfs/dbraw/zinc/13/49/52/1378134952.db2.gz HYPUDISCIKKMKC-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1oc2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140783053 1378134956 /nfs/dbraw/zinc/13/49/56/1378134956.db2.gz HYPUDISCIKKMKC-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001140783053 1378134960 /nfs/dbraw/zinc/13/49/60/1378134960.db2.gz HYPUDISCIKKMKC-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001140783053 1378134963 /nfs/dbraw/zinc/13/49/63/1378134963.db2.gz HYPUDISCIKKMKC-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807424 1378147063 /nfs/dbraw/zinc/14/70/63/1378147063.db2.gz YUSKTGHHGNMHGB-ZFWWWQNUSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807424 1378147065 /nfs/dbraw/zinc/14/70/65/1378147065.db2.gz YUSKTGHHGNMHGB-ZFWWWQNUSA-N 2 2 344.459 3.441 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)n2)cc1 ZINC001140960050 1378194092 /nfs/dbraw/zinc/19/40/92/1378194092.db2.gz SMYSJPNBJGTOOD-DYESRHJHSA-N 2 2 337.467 3.141 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)n2)cc1 ZINC001140960050 1378194096 /nfs/dbraw/zinc/19/40/96/1378194096.db2.gz SMYSJPNBJGTOOD-DYESRHJHSA-N 2 2 337.467 3.141 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1OC ZINC001141173485 1378258919 /nfs/dbraw/zinc/25/89/19/1378258919.db2.gz CWGFWGUBEKDWOC-DLBZAZTESA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(O)c1OC ZINC001141173485 1378258923 /nfs/dbraw/zinc/25/89/23/1378258923.db2.gz CWGFWGUBEKDWOC-DLBZAZTESA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(O)c1OC ZINC001141173485 1378258928 /nfs/dbraw/zinc/25/89/28/1378258928.db2.gz CWGFWGUBEKDWOC-DLBZAZTESA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(O)c1OC ZINC001141173485 1378258931 /nfs/dbraw/zinc/25/89/31/1378258931.db2.gz CWGFWGUBEKDWOC-DLBZAZTESA-N 2 2 348.487 3.248 20 0 EGADLP c1cc(OC2CCOCC2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001141404103 1378318718 /nfs/dbraw/zinc/31/87/18/1378318718.db2.gz HMCGZGHWLVIKCY-UHFFFAOYSA-N 2 2 344.499 3.305 20 0 EGADLP CC(C)(C)c1nc[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001142230884 1378422770 /nfs/dbraw/zinc/42/27/70/1378422770.db2.gz UCLVEMUIBRZMEI-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1nc[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001142230884 1378422771 /nfs/dbraw/zinc/42/27/71/1378422771.db2.gz UCLVEMUIBRZMEI-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1nc[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001142230884 1378422772 /nfs/dbraw/zinc/42/27/72/1378422772.db2.gz UCLVEMUIBRZMEI-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP CC(C)(C)c1nc[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001142230884 1378422773 /nfs/dbraw/zinc/42/27/73/1378422773.db2.gz UCLVEMUIBRZMEI-HDICACEKSA-N 2 2 338.499 3.271 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@H]2C1 ZINC001142980664 1378521163 /nfs/dbraw/zinc/52/11/63/1378521163.db2.gz JBMBOMBNVQEUCX-HZPDHXFCSA-N 2 2 342.874 3.181 20 0 EGADLP CN(Cc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001143035282 1378530649 /nfs/dbraw/zinc/53/06/49/1378530649.db2.gz JBPVLQXKXUUZHB-HXUWFJFHSA-N 2 2 334.467 3.431 20 0 EGADLP CN(Cc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001143035282 1378530651 /nfs/dbraw/zinc/53/06/51/1378530651.db2.gz JBPVLQXKXUUZHB-HXUWFJFHSA-N 2 2 334.467 3.431 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@@H]3C2)cc1 ZINC001143213955 1378561694 /nfs/dbraw/zinc/56/16/94/1378561694.db2.gz GHPJNNZPPNEXCE-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@@H]3C2)cc1 ZINC001143213955 1378561697 /nfs/dbraw/zinc/56/16/97/1378561697.db2.gz GHPJNNZPPNEXCE-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc5cccnc5[nH]4)C[C@@H]3C2)cc1 ZINC001143213955 1378561701 /nfs/dbraw/zinc/56/17/01/1378561701.db2.gz GHPJNNZPPNEXCE-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc5cccnc5[nH]4)C[C@@H]3C2)cc1 ZINC001143213955 1378561704 /nfs/dbraw/zinc/56/17/04/1378561704.db2.gz GHPJNNZPPNEXCE-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP CCOc1c(F)cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001143744927 1378640866 /nfs/dbraw/zinc/64/08/66/1378640866.db2.gz CZJBGIRMOOXPDR-UHFFFAOYSA-N 2 2 326.843 3.405 20 0 EGADLP Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001146707236 1378903814 /nfs/dbraw/zinc/90/38/14/1378903814.db2.gz PJCMYWFXNOVBOY-ZWKOTPCHSA-N 2 2 342.487 3.045 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001146754321 1378913458 /nfs/dbraw/zinc/91/34/58/1378913458.db2.gz DOSGYJANHRBTIB-DLBZAZTESA-N 2 2 342.487 3.080 20 0 EGADLP CC[N@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114697 1380023581 /nfs/dbraw/zinc/02/35/81/1380023581.db2.gz ICGKLZSOZHPLSF-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114697 1380023584 /nfs/dbraw/zinc/02/35/84/1380023584.db2.gz ICGKLZSOZHPLSF-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362583 1380064574 /nfs/dbraw/zinc/06/45/74/1380064574.db2.gz OPNZITIOEBFHPO-OAHLLOKOSA-N 2 2 330.476 3.129 20 0 EGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362583 1380064578 /nfs/dbraw/zinc/06/45/78/1380064578.db2.gz OPNZITIOEBFHPO-OAHLLOKOSA-N 2 2 330.476 3.129 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083445 1380201852 /nfs/dbraw/zinc/20/18/52/1380201852.db2.gz WNRHTDCXPITVKV-IBCRXROYSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083445 1380201855 /nfs/dbraw/zinc/20/18/55/1380201855.db2.gz WNRHTDCXPITVKV-IBCRXROYSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083445 1380201859 /nfs/dbraw/zinc/20/18/59/1380201859.db2.gz WNRHTDCXPITVKV-IBCRXROYSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083445 1380201866 /nfs/dbraw/zinc/20/18/66/1380201866.db2.gz WNRHTDCXPITVKV-IBCRXROYSA-N 2 2 346.519 3.006 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083391 1380202064 /nfs/dbraw/zinc/20/20/64/1380202064.db2.gz UUESLOVIVIMTAL-NVXWUHKLSA-N 2 2 348.535 3.230 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083391 1380202065 /nfs/dbraw/zinc/20/20/65/1380202065.db2.gz UUESLOVIVIMTAL-NVXWUHKLSA-N 2 2 348.535 3.230 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083391 1380202068 /nfs/dbraw/zinc/20/20/68/1380202068.db2.gz UUESLOVIVIMTAL-NVXWUHKLSA-N 2 2 348.535 3.230 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083391 1380202071 /nfs/dbraw/zinc/20/20/71/1380202071.db2.gz UUESLOVIVIMTAL-NVXWUHKLSA-N 2 2 348.535 3.230 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315112 1380253815 /nfs/dbraw/zinc/25/38/15/1380253815.db2.gz OCAKQKOUXOHMPX-FYCOFBDGSA-N 2 2 328.460 3.131 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315112 1380253819 /nfs/dbraw/zinc/25/38/19/1380253819.db2.gz OCAKQKOUXOHMPX-FYCOFBDGSA-N 2 2 328.460 3.131 20 0 EGADLP Cc1cccc2c(Cl)nnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c12 ZINC001155057980 1380399792 /nfs/dbraw/zinc/39/97/92/1380399792.db2.gz QBDOVGOOAQZEPL-UHFFFAOYSA-N 2 2 327.819 3.244 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155188858 1380421066 /nfs/dbraw/zinc/42/10/66/1380421066.db2.gz DFDWQWDZNKUZLV-NVXWUHKLSA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155188858 1380421068 /nfs/dbraw/zinc/42/10/68/1380421068.db2.gz DFDWQWDZNKUZLV-NVXWUHKLSA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520720 1380463742 /nfs/dbraw/zinc/46/37/42/1380463742.db2.gz AKCIWDZRSNOZJU-IAGOWNOFSA-N 2 2 346.519 3.241 20 0 EGADLP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520720 1380463743 /nfs/dbraw/zinc/46/37/43/1380463743.db2.gz AKCIWDZRSNOZJU-IAGOWNOFSA-N 2 2 346.519 3.241 20 0 EGADLP CCC[NH+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)C[C@@H]2C1 ZINC001157700861 1381006945 /nfs/dbraw/zinc/00/69/45/1381006945.db2.gz XXZJQSSBCFSSBC-GJZGRUSLSA-N 2 2 329.419 3.161 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+][C@@H]3CCc4ccccc43)ccn12 ZINC001158062244 1381118085 /nfs/dbraw/zinc/11/80/85/1381118085.db2.gz QZMHQXOWJNMVQU-LJQANCHMSA-N 2 2 348.450 3.040 20 0 EGADLP Cc1nc(NCc2ncn3c2C[NH2+]CCC3)cc(C2CCCCC2)[nH+]1 ZINC001158362285 1381217364 /nfs/dbraw/zinc/21/73/64/1381217364.db2.gz GTMLWPANHAFGGY-UHFFFAOYSA-N 2 2 340.475 3.135 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794943 1381402703 /nfs/dbraw/zinc/40/27/03/1381402703.db2.gz WESRQZTYVUSSJX-IPLHWJFFSA-N 2 2 346.519 3.320 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794943 1381402705 /nfs/dbraw/zinc/40/27/05/1381402705.db2.gz WESRQZTYVUSSJX-IPLHWJFFSA-N 2 2 346.519 3.320 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949591 1381481365 /nfs/dbraw/zinc/48/13/65/1381481365.db2.gz QLUFKTDCRIZKLA-GOSISDBHSA-N 2 2 334.508 3.166 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949591 1381481371 /nfs/dbraw/zinc/48/13/71/1381481371.db2.gz QLUFKTDCRIZKLA-GOSISDBHSA-N 2 2 334.508 3.166 20 0 EGADLP COc1cc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cc(C)[nH+]1 ZINC001159861938 1381922899 /nfs/dbraw/zinc/92/28/99/1381922899.db2.gz IRSNWSRYMXELLD-UHFFFAOYSA-N 2 2 332.835 3.205 20 0 EGADLP Cc1cc(NCc2ccccc2N2CC[NH2+]CC2)nc(C(C)(C)C)[nH+]1 ZINC001160113027 1382000851 /nfs/dbraw/zinc/00/08/51/1382000851.db2.gz VVIOPTXCNFAEFN-UHFFFAOYSA-N 2 2 339.487 3.104 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC001160503219 1382125220 /nfs/dbraw/zinc/12/52/20/1382125220.db2.gz DTOVGWSBGQYCAA-XLIONFOSSA-N 2 2 348.450 3.104 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CCC1=CCCCC1)n1cc[nH+]c1 ZINC001160527684 1382132278 /nfs/dbraw/zinc/13/22/78/1382132278.db2.gz AGNUCZBAPKEQBH-LJQANCHMSA-N 2 2 346.519 3.457 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CCC1CCCC1)n1cc[nH+]c1 ZINC001160535125 1382134474 /nfs/dbraw/zinc/13/44/74/1382134474.db2.gz UDTPZROPLFQVPU-SFHVURJKSA-N 2 2 334.508 3.147 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001160991997 1382265988 /nfs/dbraw/zinc/26/59/88/1382265988.db2.gz PCQVLAJTBFACJW-CVEARBPZSA-N 2 2 342.487 3.489 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012546 1382271047 /nfs/dbraw/zinc/27/10/47/1382271047.db2.gz CZFVEFJIQRSXFU-QAETUUGQSA-N 2 2 340.471 3.311 20 0 EGADLP Cn1ccc2c1cc[nH+]c2NC1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC001161143678 1382317383 /nfs/dbraw/zinc/31/73/83/1382317383.db2.gz UXKBDBYHMSOJPK-UHFFFAOYSA-N 2 2 348.450 3.333 20 0 EGADLP Cc1cc(Cl)c(C)c(NCC2(c3cccnc3)CC[NH2+]CC2)[nH+]1 ZINC001162036269 1382610444 /nfs/dbraw/zinc/61/04/44/1382610444.db2.gz HHXVFHZBHMVGSG-UHFFFAOYSA-N 2 2 330.863 3.480 20 0 EGADLP COc1cc[nH+]c(C(C)(C)CNc2cc(Cl)nc3c2CC[NH2+]C3)c1 ZINC001162130909 1382635009 /nfs/dbraw/zinc/63/50/09/1382635009.db2.gz NNKKIIMSLVRFAD-UHFFFAOYSA-N 2 2 346.862 3.174 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001162433335 1382758158 /nfs/dbraw/zinc/75/81/58/1382758158.db2.gz WQEDEVBQYXHAKL-INIZCTEOSA-N 2 2 336.439 3.113 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001162471739 1382767631 /nfs/dbraw/zinc/76/76/31/1382767631.db2.gz QKNBMLCCUMHIGA-CVEARBPZSA-N 2 2 326.444 3.103 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CC=C(Cl)Cl)c(C)[nH+]1 ZINC001162909672 1382912404 /nfs/dbraw/zinc/91/24/04/1382912404.db2.gz CCNSSYYQFUQNLB-UHFFFAOYSA-N 2 2 330.259 3.035 20 0 EGADLP Fc1ccc2c[nH+]c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cc2c1 ZINC001162958898 1382928044 /nfs/dbraw/zinc/92/80/44/1382928044.db2.gz UQPHTZBDOKKMBX-QGZVFWFLSA-N 2 2 329.419 3.335 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CC2)c(C)[nH+]1 ZINC001328750460 1388841317 /nfs/dbraw/zinc/84/13/17/1388841317.db2.gz SPSVTLIOBDUSMM-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)c(C)[nH+]1 ZINC001328750460 1388841320 /nfs/dbraw/zinc/84/13/20/1388841320.db2.gz SPSVTLIOBDUSMM-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc(C(C)C)[nH+]1 ZINC001165270948 1383263407 /nfs/dbraw/zinc/26/34/07/1383263407.db2.gz RDPFNGOYMZGWJE-OAHLLOKOSA-N 2 2 342.409 3.419 20 0 EGADLP C[C@@H](CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001167348613 1383606660 /nfs/dbraw/zinc/60/66/60/1383606660.db2.gz ODKJIEWUAWJRNF-KRWDZBQOSA-N 2 2 346.519 3.291 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001167429048 1383632294 /nfs/dbraw/zinc/63/22/94/1383632294.db2.gz PPUMLDIDITYKTO-QZTJIDSGSA-N 2 2 342.487 3.308 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl)n1cc[nH+]c1 ZINC001167435906 1383633807 /nfs/dbraw/zinc/63/38/07/1383633807.db2.gz UGLRTSWEOAWNMD-CABCVRRESA-N 2 2 348.878 3.345 20 0 EGADLP C[C@@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575757 1383675092 /nfs/dbraw/zinc/67/50/92/1383675092.db2.gz HRIBUAKISZNCFW-COPCDDAFSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575757 1383675096 /nfs/dbraw/zinc/67/50/96/1383675096.db2.gz HRIBUAKISZNCFW-COPCDDAFSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575757 1383675098 /nfs/dbraw/zinc/67/50/98/1383675098.db2.gz HRIBUAKISZNCFW-COPCDDAFSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575757 1383675099 /nfs/dbraw/zinc/67/50/99/1383675099.db2.gz HRIBUAKISZNCFW-COPCDDAFSA-N 2 2 336.479 3.316 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001167835270 1383753971 /nfs/dbraw/zinc/75/39/71/1383753971.db2.gz QMQIMNBAKAXGIQ-INIZCTEOSA-N 3 2 336.499 3.290 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001167834947 1383754277 /nfs/dbraw/zinc/75/42/77/1383754277.db2.gz NYIDZOABNDERCH-IRXDYDNUSA-N 2 2 331.495 3.302 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940298 1383773009 /nfs/dbraw/zinc/77/30/09/1383773009.db2.gz LIFUQSPGWGCMCS-HGKCTWBKSA-N 2 2 337.467 3.463 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940298 1383773012 /nfs/dbraw/zinc/77/30/12/1383773012.db2.gz LIFUQSPGWGCMCS-HGKCTWBKSA-N 2 2 337.467 3.463 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+]([C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC001167940298 1383773020 /nfs/dbraw/zinc/77/30/20/1383773020.db2.gz LIFUQSPGWGCMCS-HGKCTWBKSA-N 2 2 337.467 3.463 20 0 EGADLP Cc1cc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)ccc1[NH+](C)C ZINC001167945200 1383775379 /nfs/dbraw/zinc/77/53/79/1383775379.db2.gz PHGXRRSJPQUZOA-INIZCTEOSA-N 2 2 335.492 3.312 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001167976680 1383783991 /nfs/dbraw/zinc/78/39/91/1383783991.db2.gz CYZUNCAZMKCXMR-INIZCTEOSA-N 2 2 342.487 3.008 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001167976680 1383783994 /nfs/dbraw/zinc/78/39/94/1383783994.db2.gz CYZUNCAZMKCXMR-INIZCTEOSA-N 2 2 342.487 3.008 20 0 EGADLP C[C@@H]1CC(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065507 1383808362 /nfs/dbraw/zinc/80/83/62/1383808362.db2.gz XBIHDERHJMHLTD-PLOVASNDSA-N 2 2 327.516 3.064 20 0 EGADLP C[C@@H]1CC(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065507 1383808364 /nfs/dbraw/zinc/80/83/64/1383808364.db2.gz XBIHDERHJMHLTD-PLOVASNDSA-N 2 2 327.516 3.064 20 0 EGADLP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH+](CC3CC3)CC2)c1 ZINC001168379333 1383889969 /nfs/dbraw/zinc/88/99/69/1383889969.db2.gz HXYTYZMSBYUVBB-KDURUIRLSA-N 2 2 345.556 3.271 20 0 EGADLP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH+](CC3CC3)CC2)c1 ZINC001168379333 1383889975 /nfs/dbraw/zinc/88/99/75/1383889975.db2.gz HXYTYZMSBYUVBB-KDURUIRLSA-N 2 2 345.556 3.271 20 0 EGADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387787 1383891711 /nfs/dbraw/zinc/89/17/11/1383891711.db2.gz UJSFIKQKPPEGAV-OAQYLSRUSA-N 3 2 341.543 3.315 20 0 EGADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387787 1383891714 /nfs/dbraw/zinc/89/17/14/1383891714.db2.gz UJSFIKQKPPEGAV-OAQYLSRUSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387787 1383891720 /nfs/dbraw/zinc/89/17/20/1383891720.db2.gz UJSFIKQKPPEGAV-OAQYLSRUSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387787 1383891724 /nfs/dbraw/zinc/89/17/24/1383891724.db2.gz UJSFIKQKPPEGAV-OAQYLSRUSA-N 3 2 341.543 3.315 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4[nH+]ccn4c3)CCO2)cc1 ZINC001168629749 1383952125 /nfs/dbraw/zinc/95/21/25/1383952125.db2.gz KMGCNQXDENGZRP-MJGOQNOKSA-N 2 2 337.423 3.353 20 0 EGADLP CCc1ccc2c(c1)cc(Cl)nc2NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736131 1383985204 /nfs/dbraw/zinc/98/52/04/1383985204.db2.gz ZDWDDAVVYHAYAA-UHFFFAOYSA-N 2 2 331.851 3.045 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC001308176550 1384105450 /nfs/dbraw/zinc/10/54/50/1384105450.db2.gz LJMBJKFHLNLJCM-COPCDDAFSA-N 2 2 337.511 3.399 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H](c1ccccc1)[NH+](C)C ZINC001308176550 1384105451 /nfs/dbraw/zinc/10/54/51/1384105451.db2.gz LJMBJKFHLNLJCM-COPCDDAFSA-N 2 2 337.511 3.399 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001169099677 1384107465 /nfs/dbraw/zinc/10/74/65/1384107465.db2.gz DSKLGANVFCXZRI-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1F)C2 ZINC001169099677 1384107467 /nfs/dbraw/zinc/10/74/67/1384107467.db2.gz DSKLGANVFCXZRI-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP CC1(C)C[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@@](C)(C[NH3+])C1 ZINC001169142690 1384113228 /nfs/dbraw/zinc/11/32/28/1384113228.db2.gz NSSJPNZTLPLDPF-QFBILLFUSA-N 2 2 327.476 3.282 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001308282756 1384116070 /nfs/dbraw/zinc/11/60/70/1384116070.db2.gz MWYXNACMOSLHGS-PZJWPPBQSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC001308282756 1384116071 /nfs/dbraw/zinc/11/60/71/1384116071.db2.gz MWYXNACMOSLHGS-PZJWPPBQSA-N 2 2 342.458 3.107 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2)CC1 ZINC001169249613 1384127594 /nfs/dbraw/zinc/12/75/94/1384127594.db2.gz HZGPLVGWZQCWFR-KRWDZBQOSA-N 2 2 339.524 3.048 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2)CC1 ZINC001169249613 1384127595 /nfs/dbraw/zinc/12/75/95/1384127595.db2.gz HZGPLVGWZQCWFR-KRWDZBQOSA-N 2 2 339.524 3.048 20 0 EGADLP CCCn1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)n1 ZINC001308733633 1384145448 /nfs/dbraw/zinc/14/54/48/1384145448.db2.gz DIXVKUPQXXPOCV-UHFFFAOYSA-N 2 2 328.460 3.348 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169464866 1384150891 /nfs/dbraw/zinc/15/08/91/1384150891.db2.gz QWJQKPIHAREYPJ-SFHVURJKSA-N 2 2 345.531 3.230 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001169464866 1384150892 /nfs/dbraw/zinc/15/08/92/1384150892.db2.gz QWJQKPIHAREYPJ-SFHVURJKSA-N 2 2 345.531 3.230 20 0 EGADLP CCOC(=O)N1CCC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001169673038 1384171546 /nfs/dbraw/zinc/17/15/46/1384171546.db2.gz SSDVGPPOFPFUJR-KRWDZBQOSA-N 2 2 342.443 3.192 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001170022587 1384219757 /nfs/dbraw/zinc/21/97/57/1384219757.db2.gz FBCAVOVZOGDWPD-KRWDZBQOSA-N 2 2 348.450 3.343 20 0 EGADLP CCC/C=C\CC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022987 1384219806 /nfs/dbraw/zinc/21/98/06/1384219806.db2.gz MDDFKKKVIICHQO-PLNGDYQASA-N 2 2 340.471 3.328 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170117541 1384238828 /nfs/dbraw/zinc/23/88/28/1384238828.db2.gz LQRFYRUVCAQHGK-HNAYVOBHSA-N 2 2 330.472 3.216 20 0 EGADLP Fc1cc(F)c2c(c1)CC[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001170676063 1384362574 /nfs/dbraw/zinc/36/25/74/1384362574.db2.gz VXQHCBCXNPUSPN-KRWDZBQOSA-N 2 2 343.421 3.476 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCCC[NH2+]CC(C)C)ccn12 ZINC001170784303 1384384836 /nfs/dbraw/zinc/38/48/36/1384384836.db2.gz IDUKPLGOWJKOIP-OAHLLOKOSA-N 2 2 330.476 3.177 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170844074 1384396851 /nfs/dbraw/zinc/39/68/51/1384396851.db2.gz HCFAXHNVMIKNJA-INIZCTEOSA-N 2 2 325.294 3.238 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151389 1384455481 /nfs/dbraw/zinc/45/54/81/1384455481.db2.gz IBBRAPXGDRDRKW-FUTAKVPZSA-N 2 2 334.508 3.353 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151389 1384455483 /nfs/dbraw/zinc/45/54/83/1384455483.db2.gz IBBRAPXGDRDRKW-FUTAKVPZSA-N 2 2 334.508 3.353 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150510 1384455659 /nfs/dbraw/zinc/45/56/59/1384455659.db2.gz BCPBIWCGTHCPJD-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150510 1384455663 /nfs/dbraw/zinc/45/56/63/1384455663.db2.gz BCPBIWCGTHCPJD-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358494 1384501096 /nfs/dbraw/zinc/50/10/96/1384501096.db2.gz IBDRRMAGQFYCER-CGTJXYLNSA-N 2 2 346.519 3.358 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358494 1384501102 /nfs/dbraw/zinc/50/11/02/1384501102.db2.gz IBDRRMAGQFYCER-CGTJXYLNSA-N 2 2 346.519 3.358 20 0 EGADLP Cc1[nH+]cn([C@@H]2CCc3cc(F)c(F)cc3C2)c1CSCC[NH3+] ZINC001171459037 1384528862 /nfs/dbraw/zinc/52/88/62/1384528862.db2.gz NONGCOCXFUBARA-CQSZACIVSA-N 2 2 337.439 3.392 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525883 1384551124 /nfs/dbraw/zinc/55/11/24/1384551124.db2.gz FJJFDDTTXYIDHD-PCKAHOCUSA-N 2 2 342.487 3.487 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527825 1384551982 /nfs/dbraw/zinc/55/19/82/1384551982.db2.gz PNCDQKFYJGKDQJ-AWEZNQCLSA-N 2 2 328.460 3.241 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541320 1384557321 /nfs/dbraw/zinc/55/73/21/1384557321.db2.gz HSWBXIXFOGHECH-CQSZACIVSA-N 2 2 326.406 3.377 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171541320 1384557323 /nfs/dbraw/zinc/55/73/23/1384557323.db2.gz HSWBXIXFOGHECH-CQSZACIVSA-N 2 2 326.406 3.377 20 0 EGADLP Cc1[nH+]cn([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970070 1384698381 /nfs/dbraw/zinc/69/83/81/1384698381.db2.gz YCIWPNDNHHEJEZ-GOSISDBHSA-N 3 2 326.488 3.308 20 0 EGADLP Cc1[nH+]cn([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1CC[NH3+] ZINC001171970070 1384698389 /nfs/dbraw/zinc/69/83/89/1384698389.db2.gz YCIWPNDNHHEJEZ-GOSISDBHSA-N 3 2 326.488 3.308 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172077521 1384721163 /nfs/dbraw/zinc/72/11/63/1384721163.db2.gz GJCYTNBLBDSVTD-OSYLJGHBSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001172078190 1384721388 /nfs/dbraw/zinc/72/13/88/1384721388.db2.gz MNCRSQCGGKZFOL-OSYLJGHBSA-N 2 2 348.491 3.183 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109140 1384728413 /nfs/dbraw/zinc/72/84/13/1384728413.db2.gz BOBRHVAPVVUFNB-YRPNKDGESA-N 2 2 342.483 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109140 1384728417 /nfs/dbraw/zinc/72/84/17/1384728417.db2.gz BOBRHVAPVVUFNB-YRPNKDGESA-N 2 2 342.483 3.210 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109140 1384728420 /nfs/dbraw/zinc/72/84/20/1384728420.db2.gz BOBRHVAPVVUFNB-YRPNKDGESA-N 2 2 342.483 3.210 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109140 1384728423 /nfs/dbraw/zinc/72/84/23/1384728423.db2.gz BOBRHVAPVVUFNB-YRPNKDGESA-N 2 2 342.483 3.210 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ncc(Br)s1)C2 ZINC001172110414 1384729802 /nfs/dbraw/zinc/72/98/02/1384729802.db2.gz MNSPJIUUTMRMRV-RTCCRHLQSA-N 2 2 330.295 3.011 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ncc(Br)s1)C2 ZINC001172110414 1384729810 /nfs/dbraw/zinc/72/98/10/1384729810.db2.gz MNSPJIUUTMRMRV-RTCCRHLQSA-N 2 2 330.295 3.011 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113569 1384730570 /nfs/dbraw/zinc/73/05/70/1384730570.db2.gz KMWUYYYXDKJPTP-WJMWBRGCSA-N 3 2 331.548 3.412 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CC=CCC3)CC1)C2 ZINC001172113569 1384730574 /nfs/dbraw/zinc/73/05/74/1384730574.db2.gz KMWUYYYXDKJPTP-WJMWBRGCSA-N 3 2 331.548 3.412 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172329987 1384771551 /nfs/dbraw/zinc/77/15/51/1384771551.db2.gz JSOKXLHXLFYIJZ-ZULIPRJHSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330830 1384771959 /nfs/dbraw/zinc/77/19/59/1384771959.db2.gz OFABGYKGBSKBFC-JYRKZWEQSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330830 1384771962 /nfs/dbraw/zinc/77/19/62/1384771962.db2.gz OFABGYKGBSKBFC-JYRKZWEQSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330830 1384771966 /nfs/dbraw/zinc/77/19/66/1384771966.db2.gz OFABGYKGBSKBFC-JYRKZWEQSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330830 1384771969 /nfs/dbraw/zinc/77/19/69/1384771969.db2.gz OFABGYKGBSKBFC-JYRKZWEQSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001172362214 1384777946 /nfs/dbraw/zinc/77/79/46/1384777946.db2.gz ROSSPNPNQFOXMR-CVEARBPZSA-N 2 2 335.492 3.242 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607548 1384818660 /nfs/dbraw/zinc/81/86/60/1384818660.db2.gz ASZGPPNDDIBCFI-QUCCMNQESA-N 2 2 344.499 3.315 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607548 1384818664 /nfs/dbraw/zinc/81/86/64/1384818664.db2.gz ASZGPPNDDIBCFI-QUCCMNQESA-N 2 2 344.499 3.315 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001172794083 1384853972 /nfs/dbraw/zinc/85/39/72/1384853972.db2.gz FEGSMTUXMQDPBQ-HZPDHXFCSA-N 2 2 332.444 3.047 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](OC)C3)CC2)c1 ZINC001172926808 1384880328 /nfs/dbraw/zinc/88/03/28/1384880328.db2.gz SWRSBZZBPIBDNN-AZUAARDMSA-N 2 2 332.488 3.207 20 0 EGADLP C[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173063607 1384905152 /nfs/dbraw/zinc/90/51/52/1384905152.db2.gz BXUVLQSUQZMHRI-WBVHZDCISA-N 2 2 348.491 3.308 20 0 EGADLP CC[NH+](CC)C1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001173101095 1384914867 /nfs/dbraw/zinc/91/48/67/1384914867.db2.gz CRSSMEYAUAXOKN-UHFFFAOYSA-N 3 2 329.532 3.361 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([N@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001173627162 1384991540 /nfs/dbraw/zinc/99/15/40/1384991540.db2.gz NQCPATDZELSGFE-KGXSXCIVSA-N 2 2 336.520 3.303 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([N@@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001173627162 1384991546 /nfs/dbraw/zinc/99/15/46/1384991546.db2.gz NQCPATDZELSGFE-KGXSXCIVSA-N 2 2 336.520 3.303 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173638275 1384994110 /nfs/dbraw/zinc/99/41/10/1384994110.db2.gz XTMSVHOQLGRGGY-QZTJIDSGSA-N 2 2 345.487 3.010 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663217 1384999166 /nfs/dbraw/zinc/99/91/66/1384999166.db2.gz FXTIRJKSHIBPGA-APWZRJJASA-N 2 2 336.520 3.447 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)C1 ZINC001173663217 1384999168 /nfs/dbraw/zinc/99/91/68/1384999168.db2.gz FXTIRJKSHIBPGA-APWZRJJASA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001173712638 1385006913 /nfs/dbraw/zinc/00/69/13/1385006913.db2.gz SBHCKDSDWRMBBX-IRXDYDNUSA-N 2 2 332.488 3.114 20 0 EGADLP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)cc1 ZINC001173723497 1385008968 /nfs/dbraw/zinc/00/89/68/1385008968.db2.gz WXDRUPSQWRTQRM-QAPCUYQASA-N 2 2 332.488 3.114 20 0 EGADLP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)cc1 ZINC001173723497 1385008973 /nfs/dbraw/zinc/00/89/73/1385008973.db2.gz WXDRUPSQWRTQRM-QAPCUYQASA-N 2 2 332.488 3.114 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174579880 1385121961 /nfs/dbraw/zinc/12/19/61/1385121961.db2.gz DEHCMSAFSIUJSW-XFHJGTJQSA-N 2 2 334.508 3.284 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCn1cc[nH+]c1 ZINC001174582051 1385122726 /nfs/dbraw/zinc/12/27/26/1385122726.db2.gz YSAQMTBOFYVUAC-KRWDZBQOSA-N 2 2 346.519 3.118 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001174815385 1385153809 /nfs/dbraw/zinc/15/38/09/1385153809.db2.gz NLGFLXCTIHQOBJ-UHFFFAOYSA-N 2 2 333.439 3.368 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209483 1385220902 /nfs/dbraw/zinc/22/09/02/1385220902.db2.gz KFZCPNGQZKCAQR-DOTOQJQBSA-N 2 2 346.519 3.284 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513109 1385226354 /nfs/dbraw/zinc/22/63/54/1385226354.db2.gz GVAZFURJHCKURG-IEBWSBKVSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513109 1385226359 /nfs/dbraw/zinc/22/63/59/1385226359.db2.gz GVAZFURJHCKURG-IEBWSBKVSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175360277 1385265619 /nfs/dbraw/zinc/26/56/19/1385265619.db2.gz ZMRLGFWDUZIMEF-BRWVUGGUSA-N 2 2 348.535 3.224 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c(C)c1 ZINC001175461700 1385298877 /nfs/dbraw/zinc/29/88/77/1385298877.db2.gz PHJWYDQQGIEMNM-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350667 1385559483 /nfs/dbraw/zinc/55/94/83/1385559483.db2.gz JNXTWVGDVFMKDR-MOEXGYKKSA-N 2 2 334.508 3.272 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318473409 1385710860 /nfs/dbraw/zinc/71/08/60/1385710860.db2.gz NKEFAVYWZUJPRR-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318473409 1385710868 /nfs/dbraw/zinc/71/08/68/1385710868.db2.gz NKEFAVYWZUJPRR-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001318473409 1385710869 /nfs/dbraw/zinc/71/08/69/1385710869.db2.gz NKEFAVYWZUJPRR-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318473409 1385710879 /nfs/dbraw/zinc/71/08/79/1385710879.db2.gz NKEFAVYWZUJPRR-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1nc2ccccc2o1 ZINC001318553278 1385751405 /nfs/dbraw/zinc/75/14/05/1385751405.db2.gz SBZPTWWNLZDVCZ-UHFFFAOYSA-N 2 2 347.378 3.288 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC001318552889 1385751787 /nfs/dbraw/zinc/75/17/87/1385751787.db2.gz JJLVFBRPEFWJFT-HIFRSBDPSA-N 2 2 328.416 3.110 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccccc1Cl ZINC001318602943 1385787305 /nfs/dbraw/zinc/78/73/05/1385787305.db2.gz AYAIBKIZZRMSLL-UHFFFAOYSA-N 2 2 342.786 3.247 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CCCn2cc[nH+]c2)c1 ZINC001177351774 1385925476 /nfs/dbraw/zinc/92/54/76/1385925476.db2.gz QNPXMTGFTLFCCL-GOSISDBHSA-N 2 2 342.487 3.137 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001177436783 1385956764 /nfs/dbraw/zinc/95/67/64/1385956764.db2.gz KOMKYUWBVHQSRW-KRWDZBQOSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001177436783 1385956767 /nfs/dbraw/zinc/95/67/67/1385956767.db2.gz KOMKYUWBVHQSRW-KRWDZBQOSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492456 1385977996 /nfs/dbraw/zinc/97/79/96/1385977996.db2.gz IJCXJXMHSLKZKF-UHFFFAOYSA-N 2 2 334.508 3.072 20 0 EGADLP COc1cccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC001177624299 1386009945 /nfs/dbraw/zinc/00/99/45/1386009945.db2.gz IMUOZJLJTKUGOD-SFHVURJKSA-N 2 2 348.450 3.249 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001319714128 1386265804 /nfs/dbraw/zinc/26/58/04/1386265804.db2.gz YNXQQHFGCUIJGH-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)n1cc[nH+]c1 ZINC001319720947 1386268342 /nfs/dbraw/zinc/26/83/42/1386268342.db2.gz AJSTZOMFRSAJSU-KRWDZBQOSA-N 2 2 340.471 3.357 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NCCCCCC[NH2+]CC1CCCC1 ZINC001178810268 1386313879 /nfs/dbraw/zinc/31/38/79/1386313879.db2.gz BCJURGYDYUDDIY-UHFFFAOYSA-N 2 2 347.503 3.089 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852541 1386328695 /nfs/dbraw/zinc/32/86/95/1386328695.db2.gz UTSLQKWXKLYQQD-KRWDZBQOSA-N 2 2 348.535 3.148 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178866068 1386333475 /nfs/dbraw/zinc/33/34/75/1386333475.db2.gz UKGSBTFNMSUGFM-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957228 1386360499 /nfs/dbraw/zinc/36/04/99/1386360499.db2.gz SNNASVLFOVITTG-UIHLLAOXSA-N 2 2 346.519 3.406 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097997 1386400174 /nfs/dbraw/zinc/40/01/74/1386400174.db2.gz XUJIGZGZPQILGM-UHFFFAOYSA-N 2 2 336.524 3.199 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179180350 1386419736 /nfs/dbraw/zinc/41/97/36/1386419736.db2.gz UDFMWQOGIJOUQL-UHFFFAOYSA-N 2 2 346.519 3.430 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001320091359 1386505703 /nfs/dbraw/zinc/50/57/03/1386505703.db2.gz UIZWTGDOZCUSDJ-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001320091359 1386505708 /nfs/dbraw/zinc/50/57/08/1386505708.db2.gz UIZWTGDOZCUSDJ-GOSISDBHSA-N 2 2 342.487 3.123 20 0 EGADLP CC[NH2+]C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC[C@@H]1C ZINC001698658125 1406308672 /nfs/dbraw/zinc/30/86/72/1406308672.db2.gz CAUIRIIVBCWCRH-OXJNMPFZSA-N 2 2 340.471 3.161 20 0 EGADLP CC[NH+](CC)CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001180390668 1386782305 /nfs/dbraw/zinc/78/23/05/1386782305.db2.gz CHJOXKXHOXZHDK-OAHLLOKOSA-N 2 2 346.302 3.054 20 0 EGADLP C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392876 1386783200 /nfs/dbraw/zinc/78/32/00/1386783200.db2.gz JEGSHWFOUZWZII-AZUAARDMSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392876 1386783203 /nfs/dbraw/zinc/78/32/03/1386783203.db2.gz JEGSHWFOUZWZII-AZUAARDMSA-N 2 2 346.515 3.408 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCCCCC[NH2+]CCCCCF ZINC001180452375 1386801268 /nfs/dbraw/zinc/80/12/68/1386801268.db2.gz TVINWGQLWCKFPZ-UHFFFAOYSA-N 2 2 340.487 3.069 20 0 EGADLP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001321076023 1386802724 /nfs/dbraw/zinc/80/27/24/1386802724.db2.gz REPRCPGBUDVEAJ-GOSISDBHSA-N 2 2 339.487 3.318 20 0 EGADLP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001321076023 1386802729 /nfs/dbraw/zinc/80/27/29/1386802729.db2.gz REPRCPGBUDVEAJ-GOSISDBHSA-N 2 2 339.487 3.318 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001322298520 1387147704 /nfs/dbraw/zinc/14/77/04/1387147704.db2.gz LXCQJFJPSLZZQZ-ZIAGYGMSSA-N 2 2 348.878 3.043 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001322298520 1387147711 /nfs/dbraw/zinc/14/77/11/1387147711.db2.gz LXCQJFJPSLZZQZ-ZIAGYGMSSA-N 2 2 348.878 3.043 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001182767452 1387221017 /nfs/dbraw/zinc/22/10/17/1387221017.db2.gz FWPUZEWPRUPIRA-MBOZVWFJSA-N 2 2 346.519 3.099 20 0 EGADLP CCCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182768076 1387221566 /nfs/dbraw/zinc/22/15/66/1387221566.db2.gz ZQVBCCWIZNVMLS-ZIFCJYIRSA-N 2 2 334.508 3.099 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)c(C)s1 ZINC001322892639 1387252051 /nfs/dbraw/zinc/25/20/51/1387252051.db2.gz HPVPUIJGUWDYLJ-AWEZNQCLSA-N 2 2 344.528 3.363 20 0 EGADLP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001329240450 1389031301 /nfs/dbraw/zinc/03/13/01/1389031301.db2.gz HQEYPADFODQMCM-UHFFFAOYSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001329302031 1389055281 /nfs/dbraw/zinc/05/52/81/1389055281.db2.gz FRGALMGWBJDJLA-INIZCTEOSA-N 2 2 342.487 3.178 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001329302031 1389055287 /nfs/dbraw/zinc/05/52/87/1389055287.db2.gz FRGALMGWBJDJLA-INIZCTEOSA-N 2 2 342.487 3.178 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001332219132 1390049714 /nfs/dbraw/zinc/04/97/14/1390049714.db2.gz MXKCEUBAZMCKFA-HZPDHXFCSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001332219132 1390049717 /nfs/dbraw/zinc/04/97/17/1390049717.db2.gz MXKCEUBAZMCKFA-HZPDHXFCSA-N 2 2 334.508 3.056 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccnc3N(C)C)C2)CC1 ZINC001343220435 1390700389 /nfs/dbraw/zinc/70/03/89/1390700389.db2.gz CKZVIMGERJDGPG-SFHVURJKSA-N 2 2 330.520 3.092 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccnc3N(C)C)C2)CC1 ZINC001343220435 1390700391 /nfs/dbraw/zinc/70/03/91/1390700391.db2.gz CKZVIMGERJDGPG-SFHVURJKSA-N 2 2 330.520 3.092 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001480616573 1392821354 /nfs/dbraw/zinc/82/13/54/1392821354.db2.gz VFDICTCQQNACST-UKTKYZJWSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001481178439 1393142514 /nfs/dbraw/zinc/14/25/14/1393142514.db2.gz XKMNPAQVARGPGQ-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(NCC[N@@H+](CC1CCCCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001481178439 1393142515 /nfs/dbraw/zinc/14/25/15/1393142515.db2.gz XKMNPAQVARGPGQ-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CCCC1 ZINC001481824011 1394546923 /nfs/dbraw/zinc/54/69/23/1394546923.db2.gz OOOODBJTCCISAX-MRXNPFEDSA-N 2 2 328.460 3.241 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482399224 1394961167 /nfs/dbraw/zinc/96/11/67/1394961167.db2.gz QSTANIXTIKEYLF-IAGOWNOFSA-N 2 2 342.487 3.142 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001483972040 1395169816 /nfs/dbraw/zinc/16/98/16/1395169816.db2.gz OPBWFXKHOLJFBI-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001483972040 1395169819 /nfs/dbraw/zinc/16/98/19/1395169819.db2.gz OPBWFXKHOLJFBI-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CN(CC[N@H+](C)CCC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698990776 1406780391 /nfs/dbraw/zinc/78/03/91/1406780391.db2.gz FCGHUVKVUKKPAT-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CN(CC[N@@H+](C)CCC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698990776 1406780393 /nfs/dbraw/zinc/78/03/93/1406780393.db2.gz FCGHUVKVUKKPAT-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CCCC[C@@H](C[NH2+]CC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485465682 1395940440 /nfs/dbraw/zinc/94/04/40/1395940440.db2.gz MCGAWDZURSZNNP-INIZCTEOSA-N 2 2 328.460 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001690196977 1404405391 /nfs/dbraw/zinc/40/53/91/1404405391.db2.gz DCAKMGUOLARMRJ-QGZVFWFLSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001690196977 1404405395 /nfs/dbraw/zinc/40/53/95/1404405395.db2.gz DCAKMGUOLARMRJ-QGZVFWFLSA-N 2 2 348.535 3.257 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCCC1 ZINC001690848562 1404774433 /nfs/dbraw/zinc/77/44/33/1404774433.db2.gz FGZQAMSLXVXLGV-CQSZACIVSA-N 2 2 328.460 3.241 20 0 EGADLP C[N@H+](CCCC(C)(C)C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001690966569 1404873420 /nfs/dbraw/zinc/87/34/20/1404873420.db2.gz KYDDYWINUCEIHC-UHFFFAOYSA-N 2 2 342.487 3.360 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001690966569 1404873427 /nfs/dbraw/zinc/87/34/27/1404873427.db2.gz KYDDYWINUCEIHC-UHFFFAOYSA-N 2 2 342.487 3.360 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624579 1412990583 /nfs/dbraw/zinc/99/05/83/1412990583.db2.gz UZSVTANBOLVDQR-KBXCAEBGSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624579 1412990587 /nfs/dbraw/zinc/99/05/87/1412990587.db2.gz UZSVTANBOLVDQR-KBXCAEBGSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001699624579 1412990588 /nfs/dbraw/zinc/99/05/88/1412990588.db2.gz UZSVTANBOLVDQR-KBXCAEBGSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699624579 1412990590 /nfs/dbraw/zinc/99/05/90/1412990590.db2.gz UZSVTANBOLVDQR-KBXCAEBGSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001699824035 1413248303 /nfs/dbraw/zinc/24/83/03/1413248303.db2.gz IPXQRGXCFZJDOB-LJQANCHMSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001699824035 1413248307 /nfs/dbraw/zinc/24/83/07/1413248307.db2.gz IPXQRGXCFZJDOB-LJQANCHMSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CCC2)C1 ZINC001700137768 1413556330 /nfs/dbraw/zinc/55/63/30/1413556330.db2.gz SVHCRZMCBAAIOY-ROUUACIJSA-N 2 2 346.519 3.118 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001732799974 1428980590 /nfs/dbraw/zinc/98/05/90/1428980590.db2.gz UTXCIKHZAYGSRX-QZTJIDSGSA-N 2 2 342.487 3.342 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001713169586 1417742551 /nfs/dbraw/zinc/74/25/51/1417742551.db2.gz IXGQBJZPMDMYCL-NBMJBFSESA-N 2 2 340.471 3.141 20 0 EGADLP Cc1ccccc1C[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714551215 1419278363 /nfs/dbraw/zinc/27/83/63/1419278363.db2.gz LGJWAUWJHVBOGG-UHFFFAOYSA-N 2 2 348.450 3.043 20 0 EGADLP Cc1ccccc1C[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714551215 1419278365 /nfs/dbraw/zinc/27/83/65/1419278365.db2.gz LGJWAUWJHVBOGG-UHFFFAOYSA-N 2 2 348.450 3.043 20 0 EGADLP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001714665419 1419452963 /nfs/dbraw/zinc/45/29/63/1419452963.db2.gz BKHODAMGXBJRLQ-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(NCC[N@@H+](CCCC1CCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001714665419 1419452965 /nfs/dbraw/zinc/45/29/65/1419452965.db2.gz BKHODAMGXBJRLQ-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1csc(C)c1 ZINC001715061308 1419799922 /nfs/dbraw/zinc/79/99/22/1419799922.db2.gz BRBNSVSXERNMFI-HNNXBMFYSA-N 2 2 342.468 3.231 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001715233977 1419965404 /nfs/dbraw/zinc/96/54/04/1419965404.db2.gz OHHFGZMANUZMHX-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001715233977 1419965406 /nfs/dbraw/zinc/96/54/06/1419965406.db2.gz OHHFGZMANUZMHX-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001715338230 1420041832 /nfs/dbraw/zinc/04/18/32/1420041832.db2.gz JRILYWQCAASDNU-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001715338230 1420041835 /nfs/dbraw/zinc/04/18/35/1420041835.db2.gz JRILYWQCAASDNU-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716224844 1420571887 /nfs/dbraw/zinc/57/18/87/1420571887.db2.gz XDTGDQNAHUUQFB-OAHLLOKOSA-N 2 2 336.439 3.376 20 0 EGADLP CC1CC(C[NH2+]CC(C)(C)CN(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001717455514 1421385229 /nfs/dbraw/zinc/38/52/29/1421385229.db2.gz PGJHKHUSRIHBLR-UHFFFAOYSA-N 2 2 342.487 3.068 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001717886626 1421688588 /nfs/dbraw/zinc/68/85/88/1421688588.db2.gz FOMZFADQUQFAPC-RTBURBONSA-N 2 2 346.519 3.118 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001717886624 1421688689 /nfs/dbraw/zinc/68/86/89/1421688689.db2.gz FOMZFADQUQFAPC-OALUTQOASA-N 2 2 346.519 3.118 20 0 EGADLP Cc1ccc(C[N@H+](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)cc1 ZINC001731877229 1428142160 /nfs/dbraw/zinc/14/21/60/1428142160.db2.gz CERJOGCRIRLAIU-UHFFFAOYSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccc(C[N@@H+](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)cc1 ZINC001731877229 1428142164 /nfs/dbraw/zinc/14/21/64/1428142164.db2.gz CERJOGCRIRLAIU-UHFFFAOYSA-N 2 2 348.450 3.266 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734018210 1437808157 /nfs/dbraw/zinc/80/81/57/1437808157.db2.gz GEMMXSAQGHRGBU-UHFFFAOYSA-N 2 2 342.487 3.216 20 0 EGADLP CCC[NH2+][C@@H](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001734077242 1437865270 /nfs/dbraw/zinc/86/52/70/1437865270.db2.gz AXXGMLUEOWICRV-IBGZPJMESA-N 2 2 342.487 3.359 20 0 EGADLP C[N@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752997023 1440262604 /nfs/dbraw/zinc/26/26/04/1440262604.db2.gz KUVBCPRHXDXIAR-OAHLLOKOSA-N 2 2 334.508 3.046 20 0 EGADLP C[N@@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752997023 1440262605 /nfs/dbraw/zinc/26/26/05/1440262605.db2.gz KUVBCPRHXDXIAR-OAHLLOKOSA-N 2 2 334.508 3.046 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030604 1440272780 /nfs/dbraw/zinc/27/27/80/1440272780.db2.gz AHQHMGQTAHYZKY-SJORKVTESA-N 2 2 342.487 3.355 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001753030604 1440272781 /nfs/dbraw/zinc/27/27/81/1440272781.db2.gz AHQHMGQTAHYZKY-SJORKVTESA-N 2 2 342.487 3.355 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113773 1440310010 /nfs/dbraw/zinc/31/00/10/1440310010.db2.gz SBTHUTFJWREWJX-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113773 1440310011 /nfs/dbraw/zinc/31/00/11/1440310011.db2.gz SBTHUTFJWREWJX-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336888 1440372714 /nfs/dbraw/zinc/37/27/14/1440372714.db2.gz BTXMGCIVJXMSBR-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336888 1440372715 /nfs/dbraw/zinc/37/27/15/1440372715.db2.gz BTXMGCIVJXMSBR-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336888 1440372716 /nfs/dbraw/zinc/37/27/16/1440372716.db2.gz BTXMGCIVJXMSBR-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336888 1440372717 /nfs/dbraw/zinc/37/27/17/1440372717.db2.gz BTXMGCIVJXMSBR-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001753493637 1440420596 /nfs/dbraw/zinc/42/05/96/1440420596.db2.gz OCJOVHFIVNAJCQ-JSGCOSHPSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001753509895 1440425520 /nfs/dbraw/zinc/42/55/20/1440425520.db2.gz HQMVBJYUHGIDFL-UHFFFAOYSA-N 2 2 346.519 3.250 20 0 EGADLP C[C@H]1CCCC[C@@]1(C[NH2+]CCC1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001753537585 1440433024 /nfs/dbraw/zinc/43/30/24/1440433024.db2.gz MONMLCLGOMIFLV-PXNSSMCTSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753550294 1440434920 /nfs/dbraw/zinc/43/49/20/1440434920.db2.gz OAIYMVDVUKUHAB-GDBMZVCRSA-N 2 2 346.450 3.143 20 0 EGADLP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001753602920 1440446881 /nfs/dbraw/zinc/44/68/81/1440446881.db2.gz GZQJJFZSHUKPNU-GOSISDBHSA-N 2 2 346.519 3.339 20 0 EGADLP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001753602920 1440446882 /nfs/dbraw/zinc/44/68/82/1440446882.db2.gz GZQJJFZSHUKPNU-GOSISDBHSA-N 2 2 346.519 3.339 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001753756272 1440483194 /nfs/dbraw/zinc/48/31/94/1440483194.db2.gz BXNDNGNCRYZQMA-GDBMZVCRSA-N 2 2 342.487 3.439 20 0 EGADLP CC1CCC(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753784176 1440487826 /nfs/dbraw/zinc/48/78/26/1440487826.db2.gz FZGAXIQSKMRXJF-FAFZWHIHSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315658 1440575237 /nfs/dbraw/zinc/57/52/37/1440575237.db2.gz JGLUAVKRRLFTML-DOTOQJQBSA-N 2 2 348.516 3.169 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315658 1440575238 /nfs/dbraw/zinc/57/52/38/1440575238.db2.gz JGLUAVKRRLFTML-DOTOQJQBSA-N 2 2 348.516 3.169 20 0 EGADLP CC(C)=CC[NH+]1CCC(C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001754627251 1440646618 /nfs/dbraw/zinc/64/66/18/1440646618.db2.gz HDESUMHFLQUMKW-GOSISDBHSA-N 2 2 346.519 3.407 20 0 EGADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCC2=CCCCC2)C1 ZINC001754732242 1440680203 /nfs/dbraw/zinc/68/02/03/1440680203.db2.gz QITDZCSDXVUKOU-HXUWFJFHSA-N 2 2 344.503 3.061 20 0 EGADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001754732242 1440680204 /nfs/dbraw/zinc/68/02/04/1440680204.db2.gz QITDZCSDXVUKOU-HXUWFJFHSA-N 2 2 344.503 3.061 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001754956346 1440716622 /nfs/dbraw/zinc/71/66/22/1440716622.db2.gz MZLIWJJWKUUKSI-ZKJCDFIUSA-N 2 2 346.519 3.145 20 0 EGADLP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001755069161 1440746033 /nfs/dbraw/zinc/74/60/33/1440746033.db2.gz NPTYHSREVDSXGW-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001755069161 1440746034 /nfs/dbraw/zinc/74/60/34/1440746034.db2.gz NPTYHSREVDSXGW-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP CC[N@H+](CCC1CCCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001755184328 1440772560 /nfs/dbraw/zinc/77/25/60/1440772560.db2.gz UNJJQFAYSWIFNZ-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CCC1CCCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001755184328 1440772561 /nfs/dbraw/zinc/77/25/61/1440772561.db2.gz UNJJQFAYSWIFNZ-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755246605 1440790717 /nfs/dbraw/zinc/79/07/17/1440790717.db2.gz RLCYLTLGLJISDR-IAGOWNOFSA-N 2 2 342.487 3.405 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)CCC1CCCCC1 ZINC001755304617 1440810284 /nfs/dbraw/zinc/81/02/84/1440810284.db2.gz AAJDBCMCQJRPOE-INIZCTEOSA-N 2 2 347.503 3.040 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001755304617 1440810285 /nfs/dbraw/zinc/81/02/85/1440810285.db2.gz AAJDBCMCQJRPOE-INIZCTEOSA-N 2 2 347.503 3.040 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001755356117 1440829603 /nfs/dbraw/zinc/82/96/03/1440829603.db2.gz FSYSDTNOPNVAHN-UHFFFAOYSA-N 2 2 334.508 3.118 20 0 EGADLP CCC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001755382458 1440839799 /nfs/dbraw/zinc/83/97/99/1440839799.db2.gz OMJLZEFLNGKDPJ-OGZRUICASA-N 2 2 340.471 3.131 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755562062 1440874798 /nfs/dbraw/zinc/87/47/98/1440874798.db2.gz GJXXTVUOKXPFRQ-KSSFIOAISA-N 2 2 342.487 3.129 20 0 EGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C/c1ccccc1 ZINC001755593388 1440882045 /nfs/dbraw/zinc/88/20/45/1440882045.db2.gz WOGHFRDRYWDNQW-YXMGTMDOSA-N 2 2 348.450 3.326 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001755614805 1440888533 /nfs/dbraw/zinc/88/85/33/1440888533.db2.gz SBOMAVIBEDOTTC-CHWSQXEVSA-N 2 2 348.878 3.112 20 0 EGADLP C[C@@H]1[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001755669702 1440893864 /nfs/dbraw/zinc/89/38/64/1440893864.db2.gz MPNAQFILKJKLGZ-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001755757462 1440914352 /nfs/dbraw/zinc/91/43/52/1440914352.db2.gz NMTACIWSOPGHBO-ZWKOTPCHSA-N 2 2 346.519 3.263 20 0 EGADLP C[C@@H](CC(=O)NCC1=CC[N@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001755894348 1440942284 /nfs/dbraw/zinc/94/22/84/1440942284.db2.gz QFCCPJWCUOXNTM-KRWDZBQOSA-N 2 2 344.503 3.163 20 0 EGADLP C[C@@H](CC(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001755894348 1440942285 /nfs/dbraw/zinc/94/22/85/1440942285.db2.gz QFCCPJWCUOXNTM-KRWDZBQOSA-N 2 2 344.503 3.163 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCN(c4ccccc4F)C3)c[nH+]c12 ZINC000368290769 168339070 /nfs/dbraw/zinc/33/90/70/168339070.db2.gz OTCFKWBVTGRQOO-INIZCTEOSA-N 2 2 338.430 3.398 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531040 168368465 /nfs/dbraw/zinc/36/84/65/168368465.db2.gz SDYKAFBJIQXQGT-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531040 168368470 /nfs/dbraw/zinc/36/84/70/168368470.db2.gz SDYKAFBJIQXQGT-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000368531040 168368473 /nfs/dbraw/zinc/36/84/73/168368473.db2.gz SDYKAFBJIQXQGT-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000374565257 282170941 /nfs/dbraw/zinc/17/09/41/282170941.db2.gz ZOFBADQIROKLGI-KBXCAEBGSA-N 2 2 333.439 3.179 20 0 EGADLP C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000184243824 235344673 /nfs/dbraw/zinc/34/46/73/235344673.db2.gz UJUIVVRZBQYDRW-MRXNPFEDSA-N 2 2 340.471 3.349 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039109 202093080 /nfs/dbraw/zinc/09/30/80/202093080.db2.gz UPVNMARUIFSCGE-JRPNMDOOSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039109 202093083 /nfs/dbraw/zinc/09/30/83/202093083.db2.gz UPVNMARUIFSCGE-JRPNMDOOSA-N 2 2 329.257 3.407 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268873721 201228662 /nfs/dbraw/zinc/22/86/62/201228662.db2.gz JPDZFRGDZSWACP-RDJZCZTQSA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000268873721 201228663 /nfs/dbraw/zinc/22/86/63/201228663.db2.gz JPDZFRGDZSWACP-RDJZCZTQSA-N 2 2 342.439 3.209 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274924634 201273935 /nfs/dbraw/zinc/27/39/35/201273935.db2.gz PPWITBKFPGHSBP-MJGOQNOKSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274924634 201273939 /nfs/dbraw/zinc/27/39/39/201273939.db2.gz PPWITBKFPGHSBP-MJGOQNOKSA-N 3 2 327.516 3.113 20 0 EGADLP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000283026585 201330158 /nfs/dbraw/zinc/33/01/58/201330158.db2.gz PVTFRXOPVBLSSY-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000283026585 201330162 /nfs/dbraw/zinc/33/01/62/201330162.db2.gz PVTFRXOPVBLSSY-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289803844 201337599 /nfs/dbraw/zinc/33/75/99/201337599.db2.gz MKRKITXGZGRROA-QGZVFWFLSA-N 2 2 346.906 3.465 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289803844 201337602 /nfs/dbraw/zinc/33/76/02/201337602.db2.gz MKRKITXGZGRROA-QGZVFWFLSA-N 2 2 346.906 3.465 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000298385501 201353342 /nfs/dbraw/zinc/35/33/42/201353342.db2.gz LDORAKLLMIOERF-SFHVURJKSA-N 3 2 338.499 3.161 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000298385501 201353346 /nfs/dbraw/zinc/35/33/46/201353346.db2.gz LDORAKLLMIOERF-SFHVURJKSA-N 3 2 338.499 3.161 20 0 EGADLP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297676365 201353815 /nfs/dbraw/zinc/35/38/15/201353815.db2.gz OWQAPGLZYUXQSN-NRFANRHFSA-N 2 2 329.532 3.359 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C12CCCC2 ZINC000151836492 201391102 /nfs/dbraw/zinc/39/11/02/201391102.db2.gz AGKUMKWRPOFEQR-QZTJIDSGSA-N 2 2 329.488 3.378 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]CCn3cc[nH+]c3)cs2)cc1 ZINC000073696958 203271886 /nfs/dbraw/zinc/27/18/86/203271886.db2.gz XXGFGTDAFMCSTJ-UHFFFAOYSA-N 2 2 328.441 3.017 20 0 EGADLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1F ZINC000076901007 203366061 /nfs/dbraw/zinc/36/60/61/203366061.db2.gz QUJFYURDFDFLDM-UHFFFAOYSA-N 2 2 327.403 3.443 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000245945778 296146358 /nfs/dbraw/zinc/14/63/58/296146358.db2.gz VRWJUDTZZKAKOG-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000245945778 296146359 /nfs/dbraw/zinc/14/63/59/296146359.db2.gz VRWJUDTZZKAKOG-ZWKOTPCHSA-N 2 2 349.482 3.438 20 0 EGADLP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000262625287 245074648 /nfs/dbraw/zinc/07/46/48/245074648.db2.gz BGVBXTHXADGJNP-MRXNPFEDSA-N 2 2 334.423 3.339 20 0 EGADLP CCCCNC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544397 204010868 /nfs/dbraw/zinc/01/08/68/204010868.db2.gz WVWBTEWMABFAAP-UHFFFAOYSA-N 2 2 340.471 3.001 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nccs2)CC1 ZINC000105464629 204147592 /nfs/dbraw/zinc/14/75/92/204147592.db2.gz LOMFCJGPARJWKV-AWEZNQCLSA-N 2 2 348.491 3.275 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000111229462 204343984 /nfs/dbraw/zinc/34/39/84/204343984.db2.gz XAYWVNHVHJOWDA-QGZVFWFLSA-N 2 2 336.439 3.124 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000111229462 204343985 /nfs/dbraw/zinc/34/39/85/204343985.db2.gz XAYWVNHVHJOWDA-QGZVFWFLSA-N 2 2 336.439 3.124 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000156179299 205067386 /nfs/dbraw/zinc/06/73/86/205067386.db2.gz BCALKDODVGFFMX-ZBFHGGJFSA-N 2 2 325.412 3.073 20 0 EGADLP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+](C)C1CC1 ZINC000130865263 205261964 /nfs/dbraw/zinc/26/19/64/205261964.db2.gz MWHAENNUZLJYPV-OAHLLOKOSA-N 2 2 335.923 3.377 20 0 EGADLP C[C@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+](C)C1CC1 ZINC000130865263 205261967 /nfs/dbraw/zinc/26/19/67/205261967.db2.gz MWHAENNUZLJYPV-OAHLLOKOSA-N 2 2 335.923 3.377 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000155504340 206011708 /nfs/dbraw/zinc/01/17/08/206011708.db2.gz RNSKIQUKMQHGNI-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000155504340 206011712 /nfs/dbraw/zinc/01/17/12/206011712.db2.gz RNSKIQUKMQHGNI-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP CC[N@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000155815709 206036592 /nfs/dbraw/zinc/03/65/92/206036592.db2.gz ZJMAJZQYFCKXPK-UHFFFAOYSA-N 2 2 349.906 3.019 20 0 EGADLP CC[N@@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000155815709 206036594 /nfs/dbraw/zinc/03/65/94/206036594.db2.gz ZJMAJZQYFCKXPK-UHFFFAOYSA-N 2 2 349.906 3.019 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157063144 206114261 /nfs/dbraw/zinc/11/42/61/206114261.db2.gz ITLBEWFRMJXBPF-PXNSSMCTSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157063144 206114266 /nfs/dbraw/zinc/11/42/66/206114266.db2.gz ITLBEWFRMJXBPF-PXNSSMCTSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157063144 206114270 /nfs/dbraw/zinc/11/42/70/206114270.db2.gz ITLBEWFRMJXBPF-PXNSSMCTSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157063144 206114275 /nfs/dbraw/zinc/11/42/75/206114275.db2.gz ITLBEWFRMJXBPF-PXNSSMCTSA-N 2 2 343.515 3.030 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000264936399 247062430 /nfs/dbraw/zinc/06/24/30/247062430.db2.gz DCBKWHAQDIFPPP-UHFFFAOYSA-N 2 2 342.468 3.325 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000266531622 248348381 /nfs/dbraw/zinc/34/83/81/248348381.db2.gz FXDKKRHYPUZYNI-NSHDSACASA-N 2 2 344.286 3.394 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628740 248389519 /nfs/dbraw/zinc/38/95/19/248389519.db2.gz OQOIGDKJBAEFKB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628740 248389522 /nfs/dbraw/zinc/38/95/22/248389522.db2.gz OQOIGDKJBAEFKB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628740 248389525 /nfs/dbraw/zinc/38/95/25/248389525.db2.gz OQOIGDKJBAEFKB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628740 248389528 /nfs/dbraw/zinc/38/95/28/248389528.db2.gz OQOIGDKJBAEFKB-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC(C)CCn1cccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377632529 169051656 /nfs/dbraw/zinc/05/16/56/169051656.db2.gz STLYRURXWJETMT-FQEVSTJZSA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377632529 169051658 /nfs/dbraw/zinc/05/16/58/169051658.db2.gz STLYRURXWJETMT-FQEVSTJZSA-N 2 2 346.563 3.135 20 0 EGADLP CC1(C)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000174538896 207028812 /nfs/dbraw/zinc/02/88/12/207028812.db2.gz XXFMERYDRRBIFP-WBAXXEDZSA-N 2 2 329.419 3.305 20 0 EGADLP Cc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)nc(C2CC2)[nH+]1 ZINC000267397394 251020238 /nfs/dbraw/zinc/02/02/38/251020238.db2.gz OPSDNGVQDOCCDS-UHFFFAOYSA-N 2 2 338.459 3.150 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(=O)oc2cc(C)ccc12 ZINC000177350040 207324664 /nfs/dbraw/zinc/32/46/64/207324664.db2.gz ZARCHLWXZKVHIW-SJORKVTESA-N 2 2 326.440 3.160 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(=O)oc2cc(C)ccc12 ZINC000177350040 207324669 /nfs/dbraw/zinc/32/46/69/207324669.db2.gz ZARCHLWXZKVHIW-SJORKVTESA-N 2 2 326.440 3.160 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc(C)ccc12 ZINC000177350040 207324676 /nfs/dbraw/zinc/32/46/76/207324676.db2.gz ZARCHLWXZKVHIW-SJORKVTESA-N 2 2 326.440 3.160 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2cc(C)ccc12 ZINC000177350040 207324681 /nfs/dbraw/zinc/32/46/81/207324681.db2.gz ZARCHLWXZKVHIW-SJORKVTESA-N 2 2 326.440 3.160 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268746917 252197455 /nfs/dbraw/zinc/19/74/55/252197455.db2.gz AYHILSFLDDGFRJ-YZVOILCLSA-N 2 2 344.503 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268746917 252197459 /nfs/dbraw/zinc/19/74/59/252197459.db2.gz AYHILSFLDDGFRJ-YZVOILCLSA-N 2 2 344.503 3.350 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000268787861 252237615 /nfs/dbraw/zinc/23/76/15/252237615.db2.gz WOEOYOHIMAGCSY-YJBOKZPZSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000268787861 252237621 /nfs/dbraw/zinc/23/76/21/252237621.db2.gz WOEOYOHIMAGCSY-YJBOKZPZSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000268787859 252238268 /nfs/dbraw/zinc/23/82/68/252238268.db2.gz WOEOYOHIMAGCSY-QAPCUYQASA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000268787859 252238273 /nfs/dbraw/zinc/23/82/73/252238273.db2.gz WOEOYOHIMAGCSY-QAPCUYQASA-N 2 2 330.497 3.126 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000187002542 285338086 /nfs/dbraw/zinc/33/80/86/285338086.db2.gz DJYHIHGAELNKJU-GJZGRUSLSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000187002542 285338088 /nfs/dbraw/zinc/33/80/88/285338088.db2.gz DJYHIHGAELNKJU-GJZGRUSLSA-N 2 2 339.886 3.252 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000339542373 533411906 /nfs/dbraw/zinc/41/19/06/533411906.db2.gz CLVHKQYSIARBCG-CAVPUYEOSA-N 2 2 336.479 3.099 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000339542373 533411910 /nfs/dbraw/zinc/41/19/10/533411910.db2.gz CLVHKQYSIARBCG-CAVPUYEOSA-N 2 2 336.479 3.099 20 0 EGADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)oc2cc1C ZINC000268928315 292020203 /nfs/dbraw/zinc/02/02/03/292020203.db2.gz QDWUDSVPLVTBAY-WBVHZDCISA-N 2 2 343.471 3.040 20 0 EGADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)oc2cc1C ZINC000268928315 292020204 /nfs/dbraw/zinc/02/02/04/292020204.db2.gz QDWUDSVPLVTBAY-WBVHZDCISA-N 2 2 343.471 3.040 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000246868683 141040703 /nfs/dbraw/zinc/04/07/03/141040703.db2.gz CVJCQYRYCBBINH-FDQGKXFDSA-N 2 2 345.466 3.238 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000246868707 141040943 /nfs/dbraw/zinc/04/09/43/141040943.db2.gz CVJCQYRYCBBINH-QANKJYHBSA-N 2 2 345.466 3.238 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246985569 141047891 /nfs/dbraw/zinc/04/78/91/141047891.db2.gz JZNDJAWVIFRHQZ-LLGFUMIMSA-N 2 2 339.483 3.135 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246985569 141047894 /nfs/dbraw/zinc/04/78/94/141047894.db2.gz JZNDJAWVIFRHQZ-LLGFUMIMSA-N 2 2 339.483 3.135 20 0 EGADLP C[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CC[N@@H+]1CC(C)(C)O ZINC000342964823 141153183 /nfs/dbraw/zinc/15/31/83/141153183.db2.gz ZOCQNWPRTCQRMM-ZDUSSCGKSA-N 2 2 333.863 3.170 20 0 EGADLP C[C@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CC[N@H+]1CC(C)(C)O ZINC000342964823 141153187 /nfs/dbraw/zinc/15/31/87/141153187.db2.gz ZOCQNWPRTCQRMM-ZDUSSCGKSA-N 2 2 333.863 3.170 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nccn1Cc1ccccc1)CCC2 ZINC000344528814 141169514 /nfs/dbraw/zinc/16/95/14/141169514.db2.gz BBTWQCPLTJOPKS-GOSISDBHSA-N 2 2 335.455 3.104 20 0 EGADLP CO[C@@H](C)C[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C(C)C ZINC000346190420 141176784 /nfs/dbraw/zinc/17/67/84/141176784.db2.gz BADPYBWXFHTBAP-AWEZNQCLSA-N 2 2 325.522 3.155 20 0 EGADLP CO[C@@H](C)C[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C(C)C ZINC000346190420 141176785 /nfs/dbraw/zinc/17/67/85/141176785.db2.gz BADPYBWXFHTBAP-AWEZNQCLSA-N 2 2 325.522 3.155 20 0 EGADLP CO[C@@H](C)C[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)C ZINC000346190420 141176786 /nfs/dbraw/zinc/17/67/86/141176786.db2.gz BADPYBWXFHTBAP-AWEZNQCLSA-N 2 2 325.522 3.155 20 0 EGADLP CO[C@@H](C)C[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)C ZINC000346190420 141176787 /nfs/dbraw/zinc/17/67/87/141176787.db2.gz BADPYBWXFHTBAP-AWEZNQCLSA-N 2 2 325.522 3.155 20 0 EGADLP Fc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)c(F)c1 ZINC000346471546 141202286 /nfs/dbraw/zinc/20/22/86/141202286.db2.gz YAHLCINCSHAHMJ-SFHVURJKSA-N 2 2 328.366 3.326 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000347908166 141214029 /nfs/dbraw/zinc/21/40/29/141214029.db2.gz KTXZLTGFYUQKKM-LJQANCHMSA-N 2 2 325.456 3.132 20 0 EGADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000350730340 141263677 /nfs/dbraw/zinc/26/36/77/141263677.db2.gz RXIBLJJYVNEJMX-BRWVUGGUSA-N 2 2 331.508 3.245 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000357928165 141360361 /nfs/dbraw/zinc/36/03/61/141360361.db2.gz KKEHMHDFHXXDLM-QGZVFWFLSA-N 2 2 345.535 3.091 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000357928165 141360365 /nfs/dbraw/zinc/36/03/65/141360365.db2.gz KKEHMHDFHXXDLM-QGZVFWFLSA-N 2 2 345.535 3.091 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC(C)(C)C[NH+]2CCCC2)c1C ZINC000357960389 141368755 /nfs/dbraw/zinc/36/87/55/141368755.db2.gz LUIFKFBIWJLBIH-UHFFFAOYSA-N 2 2 339.487 3.111 20 0 EGADLP COc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000359654554 141398697 /nfs/dbraw/zinc/39/86/97/141398697.db2.gz BCZJLYQAPVJEOL-UHFFFAOYSA-N 2 2 328.431 3.372 20 0 EGADLP COc1ccc(F)cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000359654554 141398701 /nfs/dbraw/zinc/39/87/01/141398701.db2.gz BCZJLYQAPVJEOL-UHFFFAOYSA-N 2 2 328.431 3.372 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)Oc1ccccc1F ZINC000127630765 143954598 /nfs/dbraw/zinc/95/45/98/143954598.db2.gz NLWZQPZWWRGNGV-MRXNPFEDSA-N 2 2 343.446 3.242 20 0 EGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000163517470 143979776 /nfs/dbraw/zinc/97/97/76/143979776.db2.gz RJIDGKVJOTWHJT-FQEVSTJZSA-N 2 2 325.431 3.462 20 0 EGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000175100577 144057822 /nfs/dbraw/zinc/05/78/22/144057822.db2.gz LZMXVVYINYYJOZ-HNNXBMFYSA-N 2 2 335.492 3.077 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000183988727 144083670 /nfs/dbraw/zinc/08/36/70/144083670.db2.gz HKBMIBAJDCQWDN-IHPCNDPISA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000183988727 144083671 /nfs/dbraw/zinc/08/36/71/144083671.db2.gz HKBMIBAJDCQWDN-IHPCNDPISA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000184973221 144101937 /nfs/dbraw/zinc/10/19/37/144101937.db2.gz GNPHMMQKBCGRGW-HNNXBMFYSA-N 2 2 326.469 3.275 20 0 EGADLP C[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186223721 144127426 /nfs/dbraw/zinc/12/74/26/144127426.db2.gz ZDOWOCRJXIENKH-KRWDZBQOSA-N 2 2 328.431 3.485 20 0 EGADLP C[N@H+](Cc1cc(O)cc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186223721 144127427 /nfs/dbraw/zinc/12/74/27/144127427.db2.gz ZDOWOCRJXIENKH-KRWDZBQOSA-N 2 2 328.431 3.485 20 0 EGADLP C[NH+](Cc1cc(O)cc(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186223721 144127428 /nfs/dbraw/zinc/12/74/28/144127428.db2.gz ZDOWOCRJXIENKH-KRWDZBQOSA-N 2 2 328.431 3.485 20 0 EGADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186825576 144144259 /nfs/dbraw/zinc/14/42/59/144144259.db2.gz JRXPRLATXJQEKI-UXHICEINSA-N 2 2 331.504 3.229 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c[nH+]1 ZINC000351470273 144265554 /nfs/dbraw/zinc/26/55/54/144265554.db2.gz BJPDXUMHPONSDE-GOSISDBHSA-N 2 2 335.455 3.245 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c[nH+]1 ZINC000351470273 144265555 /nfs/dbraw/zinc/26/55/55/144265555.db2.gz BJPDXUMHPONSDE-GOSISDBHSA-N 2 2 335.455 3.245 20 0 EGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351475784 144266327 /nfs/dbraw/zinc/26/63/27/144266327.db2.gz JAHCTGIYEHTCPP-JQFCIGGWSA-N 2 2 328.485 3.364 20 0 EGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351475784 144266328 /nfs/dbraw/zinc/26/63/28/144266328.db2.gz JAHCTGIYEHTCPP-JQFCIGGWSA-N 2 2 328.485 3.364 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccncc1 ZINC000351769518 144303785 /nfs/dbraw/zinc/30/37/85/144303785.db2.gz ZCPUBTQIDQWEBC-UHFFFAOYSA-N 2 2 338.499 3.116 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000361710671 144352527 /nfs/dbraw/zinc/35/25/27/144352527.db2.gz CBLIGAUNMMNYLM-UHFFFAOYSA-N 3 2 326.488 3.485 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000361710671 144352529 /nfs/dbraw/zinc/35/25/29/144352529.db2.gz CBLIGAUNMMNYLM-UHFFFAOYSA-N 3 2 326.488 3.485 20 0 EGADLP CC(C)COc1ccccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000341151394 155193206 /nfs/dbraw/zinc/19/32/06/155193206.db2.gz YPHBRJLEWLNJBN-UHFFFAOYSA-N 2 2 347.547 3.179 20 0 EGADLP CC(C)COc1ccccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000341151394 155193209 /nfs/dbraw/zinc/19/32/09/155193209.db2.gz YPHBRJLEWLNJBN-UHFFFAOYSA-N 2 2 347.547 3.179 20 0 EGADLP CCOCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341443187 155293445 /nfs/dbraw/zinc/29/34/45/155293445.db2.gz SYBSKQWLQXEKAH-UHFFFAOYSA-N 2 2 339.483 3.372 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341442902 155294328 /nfs/dbraw/zinc/29/43/28/155294328.db2.gz SHYUQWYNXUGEFF-GOSISDBHSA-N 2 2 344.547 3.146 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341442902 155294331 /nfs/dbraw/zinc/29/43/31/155294331.db2.gz SHYUQWYNXUGEFF-GOSISDBHSA-N 2 2 344.547 3.146 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C1(C)C ZINC000245929106 286277674 /nfs/dbraw/zinc/27/76/74/286277674.db2.gz SBLBLHZWSWLGID-ATZDWAIDSA-N 2 2 331.504 3.400 20 0 EGADLP Cc1csc(CCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000341517781 155331205 /nfs/dbraw/zinc/33/12/05/155331205.db2.gz XUWHTZCSLUMPSF-UHFFFAOYSA-N 2 2 344.528 3.423 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](CC3CC3)CC3CC3)c2cc1C ZINC000115562385 152017503 /nfs/dbraw/zinc/01/75/03/152017503.db2.gz YMLUHULPWOGOCB-GOSISDBHSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+](CC3CC3)CC3CC3)c2cc1C ZINC000115562387 152017813 /nfs/dbraw/zinc/01/78/13/152017813.db2.gz YMLUHULPWOGOCB-SFHVURJKSA-N 2 2 327.472 3.136 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CCc4ccccc43)c12 ZINC000119434859 152204256 /nfs/dbraw/zinc/20/42/56/152204256.db2.gz KBYOYYUQHUJHJF-HNNXBMFYSA-N 2 2 342.406 3.352 20 0 EGADLP CCN(C)c1ccc(CNc2cccc(OCCC[NH+](C)C)c2)c[nH+]1 ZINC000191430573 153195500 /nfs/dbraw/zinc/19/55/00/153195500.db2.gz UIBZFMOBXLHZKH-UHFFFAOYSA-N 2 2 342.487 3.480 20 0 EGADLP Cc1ccc([C@H](CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000195011031 153371656 /nfs/dbraw/zinc/37/16/56/153371656.db2.gz FOAYKANJSPVLMT-OALUTQOASA-N 2 2 335.455 3.095 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000305720526 154110630 /nfs/dbraw/zinc/11/06/30/154110630.db2.gz IFWIOWWRCWFSMO-NEPXVJNWSA-N 2 2 328.456 3.344 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000305720526 154110636 /nfs/dbraw/zinc/11/06/36/154110636.db2.gz IFWIOWWRCWFSMO-NEPXVJNWSA-N 2 2 328.456 3.344 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000311228773 154147764 /nfs/dbraw/zinc/14/77/64/154147764.db2.gz YTPGEDVSMMMDKX-GOSISDBHSA-N 2 2 334.467 3.482 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000311228773 154147767 /nfs/dbraw/zinc/14/77/67/154147767.db2.gz YTPGEDVSMMMDKX-GOSISDBHSA-N 2 2 334.467 3.482 20 0 EGADLP CCN(C(=O)C[N@H+](C)CCC[NH+]1CCCC1)[C@H](C)c1ccc(F)cc1 ZINC000337282663 154259662 /nfs/dbraw/zinc/25/96/62/154259662.db2.gz XOZXUVYSFZWNOO-QGZVFWFLSA-N 2 2 349.494 3.153 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CCC[NH+]1CCCC1)[C@H](C)c1ccc(F)cc1 ZINC000337282663 154259666 /nfs/dbraw/zinc/25/96/66/154259666.db2.gz XOZXUVYSFZWNOO-QGZVFWFLSA-N 2 2 349.494 3.153 20 0 EGADLP CC[N@H+](CCO)CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337297085 154267242 /nfs/dbraw/zinc/26/72/42/154267242.db2.gz OONPTGYISAAILH-UHFFFAOYSA-N 2 2 348.437 3.001 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337297085 154267244 /nfs/dbraw/zinc/26/72/44/154267244.db2.gz OONPTGYISAAILH-UHFFFAOYSA-N 2 2 348.437 3.001 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337338262 154292430 /nfs/dbraw/zinc/29/24/30/154292430.db2.gz NQXQMZOTRWYOHA-YSIASYRMSA-N 2 2 331.504 3.054 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000337338262 154292435 /nfs/dbraw/zinc/29/24/35/154292435.db2.gz NQXQMZOTRWYOHA-YSIASYRMSA-N 2 2 331.504 3.054 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000339911652 155028651 /nfs/dbraw/zinc/02/86/51/155028651.db2.gz YNRXNBWBRIMMSC-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000339911652 155028655 /nfs/dbraw/zinc/02/86/55/155028655.db2.gz YNRXNBWBRIMMSC-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@H](C[NH3+])C1 ZINC000346830133 156155167 /nfs/dbraw/zinc/15/51/67/156155167.db2.gz JXBLVTTUAYCKRW-HOTGVXAUSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@H](C[NH3+])C1 ZINC000346830133 156155171 /nfs/dbraw/zinc/15/51/71/156155171.db2.gz JXBLVTTUAYCKRW-HOTGVXAUSA-N 2 2 334.460 3.492 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971366 156223031 /nfs/dbraw/zinc/22/30/31/156223031.db2.gz HBMMBAUYYQIFCL-CJNGLKHVSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971366 156223037 /nfs/dbraw/zinc/22/30/37/156223037.db2.gz HBMMBAUYYQIFCL-CJNGLKHVSA-N 2 2 328.378 3.078 20 0 EGADLP C[NH+](C)CCN(Cc1ccccc1F)Cc1cccc2[nH+]ccn21 ZINC000348903785 156281431 /nfs/dbraw/zinc/28/14/31/156281431.db2.gz HPNRLSACLYNSAT-UHFFFAOYSA-N 2 2 326.419 3.037 20 0 EGADLP Cc1ccc(CCC[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000354461536 156536735 /nfs/dbraw/zinc/53/67/35/156536735.db2.gz IQEOIFMLFHYFNK-UHFFFAOYSA-N 2 2 345.531 3.195 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1c[nH+]c2ccc(Cl)cn12 ZINC000362074358 157008070 /nfs/dbraw/zinc/00/80/70/157008070.db2.gz BQLXQVMIPKJBEF-UHFFFAOYSA-N 2 2 329.766 3.048 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000365638602 157200934 /nfs/dbraw/zinc/20/09/34/157200934.db2.gz NJWGKPVCJWZJBJ-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000365638602 157200937 /nfs/dbraw/zinc/20/09/37/157200937.db2.gz NJWGKPVCJWZJBJ-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000368585427 157227530 /nfs/dbraw/zinc/22/75/30/157227530.db2.gz QWDJBDOMPUGUAV-VBKZILBWSA-N 2 2 341.430 3.297 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cccc(SC)c2)CC1 ZINC000109786728 162111409 /nfs/dbraw/zinc/11/14/09/162111409.db2.gz IPUVLVKKMWLAPO-UHFFFAOYSA-N 2 2 335.517 3.153 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cccc(SC)c2)CC1 ZINC000109786728 162111412 /nfs/dbraw/zinc/11/14/12/162111412.db2.gz IPUVLVKKMWLAPO-UHFFFAOYSA-N 2 2 335.517 3.153 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243482 162148824 /nfs/dbraw/zinc/14/88/24/162148824.db2.gz YJFNTNBSOMDISC-IRXDYDNUSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000112627857 162184203 /nfs/dbraw/zinc/18/42/03/162184203.db2.gz NVVFECRHYZJZEL-QGZVFWFLSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000112627857 162184207 /nfs/dbraw/zinc/18/42/07/162184207.db2.gz NVVFECRHYZJZEL-QGZVFWFLSA-N 2 2 340.471 3.031 20 0 EGADLP CC[C@@H](CC1CCCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114322193 162227809 /nfs/dbraw/zinc/22/78/09/162227809.db2.gz UZYMZGJJDYVPCY-SFHVURJKSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000125645301 162282100 /nfs/dbraw/zinc/28/21/00/162282100.db2.gz VZLXVSANRFIOFG-DYXWJJEUSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000125645301 162282106 /nfs/dbraw/zinc/28/21/06/162282106.db2.gz VZLXVSANRFIOFG-DYXWJJEUSA-N 3 2 344.547 3.004 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000126745201 162311841 /nfs/dbraw/zinc/31/18/41/162311841.db2.gz MNCCIAARIQHRFH-QGZVFWFLSA-N 2 2 327.472 3.186 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000126745201 162311848 /nfs/dbraw/zinc/31/18/48/162311848.db2.gz MNCCIAARIQHRFH-QGZVFWFLSA-N 2 2 327.472 3.186 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000127109306 162322195 /nfs/dbraw/zinc/32/21/95/162322195.db2.gz LAWMUKVJKXYSAX-LJQANCHMSA-N 2 2 329.488 3.127 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000248787955 163034469 /nfs/dbraw/zinc/03/44/69/163034469.db2.gz IMMVBWBXCQHIHQ-OJAHFUOMSA-N 2 2 345.531 3.474 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000248787955 163034471 /nfs/dbraw/zinc/03/44/71/163034471.db2.gz IMMVBWBXCQHIHQ-OJAHFUOMSA-N 2 2 345.531 3.474 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269825 163188697 /nfs/dbraw/zinc/18/86/97/163188697.db2.gz MHCIMXXIZPOPLV-ZWKOTPCHSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269825 163188699 /nfs/dbraw/zinc/18/86/99/163188699.db2.gz MHCIMXXIZPOPLV-ZWKOTPCHSA-N 2 2 343.515 3.161 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338539210 163265569 /nfs/dbraw/zinc/26/55/69/163265569.db2.gz CURVKPTXRXTARJ-IBGZPJMESA-N 2 2 338.499 3.231 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338539210 163265572 /nfs/dbraw/zinc/26/55/72/163265572.db2.gz CURVKPTXRXTARJ-IBGZPJMESA-N 2 2 338.499 3.231 20 0 EGADLP CC(C)CC[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000338777443 163346318 /nfs/dbraw/zinc/34/63/18/163346318.db2.gz ZZZUDMGAFNNXLE-NRFANRHFSA-N 3 2 344.547 3.398 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000338795286 163349940 /nfs/dbraw/zinc/34/99/40/163349940.db2.gz SOOYYKHQKCESAA-BCDXTJNWSA-N 2 2 331.504 3.229 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000343866349 164053640 /nfs/dbraw/zinc/05/36/40/164053640.db2.gz MWWOJIVJBNDBIZ-UHFFFAOYSA-N 2 2 328.435 3.036 20 0 EGADLP c1sc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1C1CC1 ZINC000343880155 164057274 /nfs/dbraw/zinc/05/72/74/164057274.db2.gz ZMMMZSPSLNFBAB-UHFFFAOYSA-N 2 2 349.544 3.345 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cs1 ZINC000343956537 164073179 /nfs/dbraw/zinc/07/31/79/164073179.db2.gz ABDWQDVPRISEGK-AWEZNQCLSA-N 2 2 348.516 3.453 20 0 EGADLP CCC1(CC)[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1OC ZINC000344037329 164087900 /nfs/dbraw/zinc/08/79/00/164087900.db2.gz WVUBKJRICGTXKT-UXHICEINSA-N 2 2 346.515 3.202 20 0 EGADLP c1cc2c(o1)CCC[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000344240897 164135522 /nfs/dbraw/zinc/13/55/22/164135522.db2.gz VDLPVYISANRBFJ-UHFFFAOYSA-N 2 2 339.483 3.240 20 0 EGADLP c1cc2c(o1)CCC[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000344240897 164135524 /nfs/dbraw/zinc/13/55/24/164135524.db2.gz VDLPVYISANRBFJ-UHFFFAOYSA-N 2 2 339.483 3.240 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309492 164152152 /nfs/dbraw/zinc/15/21/52/164152152.db2.gz ZURAKAKZWBNOTE-HBFSDRIKSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309492 164152153 /nfs/dbraw/zinc/15/21/53/164152153.db2.gz ZURAKAKZWBNOTE-HBFSDRIKSA-N 2 2 345.531 3.070 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1Cl ZINC000346027117 164321088 /nfs/dbraw/zinc/32/10/88/164321088.db2.gz DZIDVIAGSJEOLR-QGZVFWFLSA-N 2 2 348.878 3.113 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Cc1[nH+]c[nH]c1C)c1ccccc1Cl ZINC000346027117 164321090 /nfs/dbraw/zinc/32/10/90/164321090.db2.gz DZIDVIAGSJEOLR-QGZVFWFLSA-N 2 2 348.878 3.113 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346151934 164351293 /nfs/dbraw/zinc/35/12/93/164351293.db2.gz NWNNLYOUESHDKT-UHFFFAOYSA-N 2 2 344.415 3.143 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346151934 164351294 /nfs/dbraw/zinc/35/12/94/164351294.db2.gz NWNNLYOUESHDKT-UHFFFAOYSA-N 2 2 344.415 3.143 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346325793 164368716 /nfs/dbraw/zinc/36/87/16/164368716.db2.gz MBJHIABGMAAXIZ-QGZVFWFLSA-N 2 2 340.471 3.433 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346325793 164368717 /nfs/dbraw/zinc/36/87/17/164368717.db2.gz MBJHIABGMAAXIZ-QGZVFWFLSA-N 2 2 340.471 3.433 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612830 165102904 /nfs/dbraw/zinc/10/29/04/165102904.db2.gz YKMBULZTAXNJAH-RHSMWYFYSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612830 165102908 /nfs/dbraw/zinc/10/29/08/165102908.db2.gz YKMBULZTAXNJAH-RHSMWYFYSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612829 165103452 /nfs/dbraw/zinc/10/34/52/165103452.db2.gz YKMBULZTAXNJAH-PBHICJAKSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000351612829 165103456 /nfs/dbraw/zinc/10/34/56/165103456.db2.gz YKMBULZTAXNJAH-PBHICJAKSA-N 2 2 328.859 3.221 20 0 EGADLP Cc1cc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900636 165142378 /nfs/dbraw/zinc/14/23/78/165142378.db2.gz VMNBKKIHKMNEJH-APWZRJJASA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900636 165142379 /nfs/dbraw/zinc/14/23/79/165142379.db2.gz VMNBKKIHKMNEJH-APWZRJJASA-N 2 2 336.483 3.407 20 0 EGADLP Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024245 165197493 /nfs/dbraw/zinc/19/74/93/165197493.db2.gz FESFZNWMNKJFHT-HZPDHXFCSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024245 165197495 /nfs/dbraw/zinc/19/74/95/165197495.db2.gz FESFZNWMNKJFHT-HZPDHXFCSA-N 2 2 339.439 3.347 20 0 EGADLP COc1cccc(OCC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000352341473 165352662 /nfs/dbraw/zinc/35/26/62/165352662.db2.gz HHDXLQDKBYWRNN-UHFFFAOYSA-N 2 2 342.439 3.321 20 0 EGADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352365548 165364750 /nfs/dbraw/zinc/36/47/50/165364750.db2.gz SZROCNADALNWLW-INIZCTEOSA-N 2 2 334.460 3.354 20 0 EGADLP COC1CCC(C)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000355132819 166114944 /nfs/dbraw/zinc/11/49/44/166114944.db2.gz MXSLDNMJUHFIFQ-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355265845 166149991 /nfs/dbraw/zinc/14/99/91/166149991.db2.gz QHIPPMNGVDIHDB-PBHICJAKSA-N 2 2 329.444 3.292 20 0 EGADLP COc1cc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000355265845 166149992 /nfs/dbraw/zinc/14/99/92/166149992.db2.gz QHIPPMNGVDIHDB-PBHICJAKSA-N 2 2 329.444 3.292 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000355630544 166265895 /nfs/dbraw/zinc/26/58/95/166265895.db2.gz BTEWXPCKLAGOOK-UHFFFAOYSA-N 2 2 330.476 3.124 20 0 EGADLP Brc1ccc2[nH+]ccc(NCCNc3cccc[nH+]3)c2c1 ZINC000355663995 166277800 /nfs/dbraw/zinc/27/78/00/166277800.db2.gz FGEBWLKQKCGGNT-UHFFFAOYSA-N 2 2 343.228 3.338 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000355884723 166337604 /nfs/dbraw/zinc/33/76/04/166337604.db2.gz UBVOPUVUQUIMAF-GOSISDBHSA-N 2 2 334.508 3.069 20 0 EGADLP CC[N@H+](CCC1CC[NH2+]CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000359199722 167093584 /nfs/dbraw/zinc/09/35/84/167093584.db2.gz FCDZSVQBPDTSIM-UHFFFAOYSA-N 3 2 330.520 3.010 20 0 EGADLP CC[N@@H+](CCC1CC[NH2+]CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000359199722 167093587 /nfs/dbraw/zinc/09/35/87/167093587.db2.gz FCDZSVQBPDTSIM-UHFFFAOYSA-N 3 2 330.520 3.010 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000359445817 167158315 /nfs/dbraw/zinc/15/83/15/167158315.db2.gz GNSWZPKAFYNHKA-UHFFFAOYSA-N 2 2 331.847 3.244 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000359744312 167221328 /nfs/dbraw/zinc/22/13/28/167221328.db2.gz AKQPZCGJPJAPSO-HXUWFJFHSA-N 2 2 338.499 3.292 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000359744312 167221331 /nfs/dbraw/zinc/22/13/31/167221331.db2.gz AKQPZCGJPJAPSO-HXUWFJFHSA-N 2 2 338.499 3.292 20 0 EGADLP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000359832669 167244200 /nfs/dbraw/zinc/24/42/00/167244200.db2.gz LVNOPLLGDKDENK-AWEZNQCLSA-N 2 2 338.386 3.301 20 0 EGADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000366986994 168165036 /nfs/dbraw/zinc/16/50/36/168165036.db2.gz KSIVFYHCKQHTKF-OAHLLOKOSA-N 2 2 338.455 3.215 20 0 EGADLP C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030482 168170289 /nfs/dbraw/zinc/17/02/89/168170289.db2.gz QSFDFKFAPPWDSU-PXNSSMCTSA-N 2 2 349.950 3.230 20 0 EGADLP C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367030482 168170291 /nfs/dbraw/zinc/17/02/91/168170291.db2.gz QSFDFKFAPPWDSU-PXNSSMCTSA-N 2 2 349.950 3.230 20 0 EGADLP C[N@H+](CCn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000367354386 168212884 /nfs/dbraw/zinc/21/28/84/168212884.db2.gz VJGYSVVLZSXKOD-KRWDZBQOSA-N 2 2 327.819 3.048 20 0 EGADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000367354386 168212887 /nfs/dbraw/zinc/21/28/87/168212887.db2.gz VJGYSVVLZSXKOD-KRWDZBQOSA-N 2 2 327.819 3.048 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599173 168246792 /nfs/dbraw/zinc/24/67/92/168246792.db2.gz UKKIUDMPYZEFCN-WMZOPIPTSA-N 2 2 334.508 3.122 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599173 168246793 /nfs/dbraw/zinc/24/67/93/168246793.db2.gz UKKIUDMPYZEFCN-WMZOPIPTSA-N 2 2 334.508 3.122 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225090 265397310 /nfs/dbraw/zinc/39/73/10/265397310.db2.gz JHSZTAZYASDKBE-QGZVFWFLSA-N 2 2 332.488 3.416 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225090 265397312 /nfs/dbraw/zinc/39/73/12/265397312.db2.gz JHSZTAZYASDKBE-QGZVFWFLSA-N 2 2 332.488 3.416 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225090 265397315 /nfs/dbraw/zinc/39/73/15/265397315.db2.gz JHSZTAZYASDKBE-QGZVFWFLSA-N 2 2 332.488 3.416 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000180225090 265397318 /nfs/dbraw/zinc/39/73/18/265397318.db2.gz JHSZTAZYASDKBE-QGZVFWFLSA-N 2 2 332.488 3.416 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 ZINC000269460063 266298632 /nfs/dbraw/zinc/29/86/32/266298632.db2.gz XVXPZXMYYRKNSG-OAHLLOKOSA-N 2 2 344.528 3.050 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cs1 ZINC000269460063 266298633 /nfs/dbraw/zinc/29/86/33/266298633.db2.gz XVXPZXMYYRKNSG-OAHLLOKOSA-N 2 2 344.528 3.050 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000273325037 267020908 /nfs/dbraw/zinc/02/09/08/267020908.db2.gz XOUAOTRREDUFDH-KKUMJFAQSA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000273325037 267020911 /nfs/dbraw/zinc/02/09/11/267020911.db2.gz XOUAOTRREDUFDH-KKUMJFAQSA-N 2 2 334.460 3.370 20 0 EGADLP Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000273372242 267028669 /nfs/dbraw/zinc/02/86/69/267028669.db2.gz RUFNRMJVYJLRCR-UHFFFAOYSA-N 2 2 333.439 3.095 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)CC(=O)Nc1ccccc1OC ZINC000275255465 267335699 /nfs/dbraw/zinc/33/56/99/267335699.db2.gz PUGAIJHUVOMWSG-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)CC(=O)Nc1ccccc1OC ZINC000275255465 267335702 /nfs/dbraw/zinc/33/57/02/267335702.db2.gz PUGAIJHUVOMWSG-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788651 275050100 /nfs/dbraw/zinc/05/01/00/275050100.db2.gz QAMRAENPJYEFQA-RTWAWAEBSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000265788651 275050101 /nfs/dbraw/zinc/05/01/01/275050101.db2.gz QAMRAENPJYEFQA-RTWAWAEBSA-N 2 2 349.478 3.141 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCC1 ZINC000104235686 275163984 /nfs/dbraw/zinc/16/39/84/275163984.db2.gz CSRYSKZSJJBUMT-SFHVURJKSA-N 2 2 326.444 3.321 20 0 EGADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125303855 275191603 /nfs/dbraw/zinc/19/16/03/275191603.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 3 2 330.520 3.104 20 0 EGADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125303855 275191604 /nfs/dbraw/zinc/19/16/04/275191604.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 3 2 330.520 3.104 20 0 EGADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125303855 275191605 /nfs/dbraw/zinc/19/16/05/275191605.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 3 2 330.520 3.104 20 0 EGADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000125303855 275191607 /nfs/dbraw/zinc/19/16/07/275191607.db2.gz MXEGRNUYMXBOJF-IBGZPJMESA-N 3 2 330.520 3.104 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000278602281 275258140 /nfs/dbraw/zinc/25/81/40/275258140.db2.gz FUQTWTXVZKSNTP-UHFFFAOYSA-N 2 2 328.460 3.385 20 0 EGADLP CSC[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697774 275266578 /nfs/dbraw/zinc/26/65/78/275266578.db2.gz SRBZLBHURRKDPB-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697774 275266580 /nfs/dbraw/zinc/26/65/80/275266580.db2.gz SRBZLBHURRKDPB-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278697774 275266582 /nfs/dbraw/zinc/26/65/82/275266582.db2.gz SRBZLBHURRKDPB-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278697774 275266584 /nfs/dbraw/zinc/26/65/84/275266584.db2.gz SRBZLBHURRKDPB-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278937449 275289328 /nfs/dbraw/zinc/28/93/28/275289328.db2.gz LSZXKARAKGMHJF-SLFFLAALSA-N 2 2 338.499 3.201 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278937449 275289329 /nfs/dbraw/zinc/28/93/29/275289329.db2.gz LSZXKARAKGMHJF-SLFFLAALSA-N 2 2 338.499 3.201 20 0 EGADLP OC[C@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000279635762 275345797 /nfs/dbraw/zinc/34/57/97/275345797.db2.gz CLPVOHFEIBBXIR-SFHVURJKSA-N 2 2 336.907 3.445 20 0 EGADLP COCCC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000282272421 275617253 /nfs/dbraw/zinc/61/72/53/275617253.db2.gz KNINQWHAURRGGF-MSOLQXFVSA-N 2 2 340.508 3.320 20 0 EGADLP C[C@H](C[NH2+]Cc1c(F)cccc1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000283973989 275764969 /nfs/dbraw/zinc/76/49/69/275764969.db2.gz NUPDSFIREOGTMA-LLVKDONJSA-N 2 2 331.313 3.347 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000284057282 275771055 /nfs/dbraw/zinc/77/10/55/275771055.db2.gz STVVGXTXANOIRF-UHFFFAOYSA-N 2 2 332.341 3.441 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000285570250 275890593 /nfs/dbraw/zinc/89/05/93/275890593.db2.gz WCKZQAFGFOMHNE-UHFFFAOYSA-N 2 2 341.293 3.420 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000287288927 276104676 /nfs/dbraw/zinc/10/46/76/276104676.db2.gz RXYOXXXOYVZHKE-UHFFFAOYSA-N 2 2 326.444 3.357 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000287384008 276114497 /nfs/dbraw/zinc/11/44/97/276114497.db2.gz CITLVHQIEPQKDS-SFHVURJKSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000287384008 276114499 /nfs/dbraw/zinc/11/44/99/276114499.db2.gz CITLVHQIEPQKDS-SFHVURJKSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287538350 276130442 /nfs/dbraw/zinc/13/04/42/276130442.db2.gz OAMLSXFPTIYFOB-CRAIPNDOSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287538350 276130443 /nfs/dbraw/zinc/13/04/43/276130443.db2.gz OAMLSXFPTIYFOB-CRAIPNDOSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000289237285 276309242 /nfs/dbraw/zinc/30/92/42/276309242.db2.gz KUEXSMGFMHSGQW-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289264744 276313192 /nfs/dbraw/zinc/31/31/92/276313192.db2.gz FYBORHXRIBBLEO-YOFSQIOKSA-N 2 2 342.462 3.128 20 0 EGADLP C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289264744 276313193 /nfs/dbraw/zinc/31/31/93/276313193.db2.gz FYBORHXRIBBLEO-YOFSQIOKSA-N 2 2 342.462 3.128 20 0 EGADLP C[NH+](Cc1cnn(Cc2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289264744 276313194 /nfs/dbraw/zinc/31/31/94/276313194.db2.gz FYBORHXRIBBLEO-YOFSQIOKSA-N 2 2 342.462 3.128 20 0 EGADLP C[NH+](Cc1cnn(Cc2ccc(F)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289264744 276313195 /nfs/dbraw/zinc/31/31/95/276313195.db2.gz FYBORHXRIBBLEO-YOFSQIOKSA-N 2 2 342.462 3.128 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000289347704 276325644 /nfs/dbraw/zinc/32/56/44/276325644.db2.gz WXYNJTXAIHIGSY-UHFFFAOYSA-N 2 2 339.483 3.391 20 0 EGADLP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000289562967 276358457 /nfs/dbraw/zinc/35/84/57/276358457.db2.gz XXOZOVYORZYFBM-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000289562967 276358459 /nfs/dbraw/zinc/35/84/59/276358459.db2.gz XXOZOVYORZYFBM-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000182634968 277112827 /nfs/dbraw/zinc/11/28/27/277112827.db2.gz CWZNCCOAZWVNSB-QRVBRYPASA-N 2 2 329.488 3.054 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186322797 278336603 /nfs/dbraw/zinc/33/66/03/278336603.db2.gz VSIAKTJWLJDVFG-QAPCUYQASA-N 2 2 344.528 3.393 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840029 279080954 /nfs/dbraw/zinc/08/09/54/279080954.db2.gz CXMZQOFRILDFRW-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840029 279080957 /nfs/dbraw/zinc/08/09/57/279080957.db2.gz CXMZQOFRILDFRW-QUCCMNQESA-N 2 2 343.515 3.014 20 0 EGADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000344862393 280307465 /nfs/dbraw/zinc/30/74/65/280307465.db2.gz HFISCUJWFPFJON-TXDAXLQXSA-N 2 2 344.503 3.173 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015620 281044088 /nfs/dbraw/zinc/04/40/88/281044088.db2.gz LGGOHZHSFNTGLD-PMACEKPBSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015620 281044090 /nfs/dbraw/zinc/04/40/90/281044090.db2.gz LGGOHZHSFNTGLD-PMACEKPBSA-N 2 2 349.563 3.221 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119883623 281079127 /nfs/dbraw/zinc/07/91/27/281079127.db2.gz MFATVAORXPXKEQ-SCTDSRPQSA-N 2 2 332.488 3.298 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119883623 281079130 /nfs/dbraw/zinc/07/91/30/281079130.db2.gz MFATVAORXPXKEQ-SCTDSRPQSA-N 2 2 332.488 3.298 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000336725101 281206484 /nfs/dbraw/zinc/20/64/84/281206484.db2.gz NCIUYIQPKZJCAC-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000336725101 281206486 /nfs/dbraw/zinc/20/64/86/281206486.db2.gz NCIUYIQPKZJCAC-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342757767 297261914 /nfs/dbraw/zinc/26/19/14/297261914.db2.gz MMCXBERNPRHDRC-OLMNPRSZSA-N 2 2 349.906 3.028 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000178682803 303057979 /nfs/dbraw/zinc/05/79/79/303057979.db2.gz MWVSNKWWTNDWRM-LJQANCHMSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178682803 303057981 /nfs/dbraw/zinc/05/79/81/303057981.db2.gz MWVSNKWWTNDWRM-LJQANCHMSA-N 2 2 338.499 3.224 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860693 307383029 /nfs/dbraw/zinc/38/30/29/307383029.db2.gz IDELLLQZAGAJET-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860693 307383030 /nfs/dbraw/zinc/38/30/30/307383030.db2.gz IDELLLQZAGAJET-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860693 307383031 /nfs/dbraw/zinc/38/30/31/307383031.db2.gz IDELLLQZAGAJET-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860693 307383032 /nfs/dbraw/zinc/38/30/32/307383032.db2.gz IDELLLQZAGAJET-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP CC(C)[NH+](CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000074335892 307392673 /nfs/dbraw/zinc/39/26/73/307392673.db2.gz QHJOBYZUGQJOCE-UHFFFAOYSA-N 2 2 328.460 3.111 20 0 EGADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000089693478 307451328 /nfs/dbraw/zinc/45/13/28/307451328.db2.gz IBRFEYZECPJOKJ-AWEZNQCLSA-N 2 2 338.224 3.452 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414066673 309058696 /nfs/dbraw/zinc/05/86/96/309058696.db2.gz IJFIEFCXQVAMGV-KRWDZBQOSA-N 2 2 338.499 3.453 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084803 309060108 /nfs/dbraw/zinc/06/01/08/309060108.db2.gz XUAZCSPUAORZSI-JKSUJKDBSA-N 2 2 344.528 3.454 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084803 309060109 /nfs/dbraw/zinc/06/01/09/309060109.db2.gz XUAZCSPUAORZSI-JKSUJKDBSA-N 2 2 344.528 3.454 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1cc2n(n1)CCC2)[N@H+](C)Cc1ccccc1 ZINC000414089192 309060386 /nfs/dbraw/zinc/06/03/86/309060386.db2.gz CKCJTWBLXRAOKL-IRXDYDNUSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1cc2n(n1)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000414089192 309060387 /nfs/dbraw/zinc/06/03/87/309060387.db2.gz CKCJTWBLXRAOKL-IRXDYDNUSA-N 2 2 326.488 3.391 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000414120765 309062253 /nfs/dbraw/zinc/06/22/53/309062253.db2.gz YLOCIECEAKLFEU-SQGPQFPESA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414120765 309062254 /nfs/dbraw/zinc/06/22/54/309062254.db2.gz YLOCIECEAKLFEU-SQGPQFPESA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000414131116 309062761 /nfs/dbraw/zinc/06/27/61/309062761.db2.gz XKMKIZZLMARSJO-DLBZAZTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000414131116 309062762 /nfs/dbraw/zinc/06/27/62/309062762.db2.gz XKMKIZZLMARSJO-DLBZAZTESA-N 2 2 327.472 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414170071 309064415 /nfs/dbraw/zinc/06/44/15/309064415.db2.gz VVYZTEGQOVUBTF-ZWOKBUDYSA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414170071 309064416 /nfs/dbraw/zinc/06/44/16/309064416.db2.gz VVYZTEGQOVUBTF-ZWOKBUDYSA-N 2 2 339.483 3.274 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000153345383 307771146 /nfs/dbraw/zinc/77/11/46/307771146.db2.gz PUJXXJYQPYSIMM-KBPBESRZSA-N 2 2 346.393 3.204 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000414211086 309066856 /nfs/dbraw/zinc/06/68/56/309066856.db2.gz NYXYICJLEYAQEB-NJDAHSKKSA-N 2 2 338.499 3.436 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000414211086 309066857 /nfs/dbraw/zinc/06/68/57/309066857.db2.gz NYXYICJLEYAQEB-NJDAHSKKSA-N 2 2 338.499 3.436 20 0 EGADLP CCc1ncc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414276207 309070193 /nfs/dbraw/zinc/07/01/93/309070193.db2.gz XPOJWFGJVZQHLE-FQEVSTJZSA-N 2 2 338.499 3.212 20 0 EGADLP CCc1ncc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000414276207 309070194 /nfs/dbraw/zinc/07/01/94/309070194.db2.gz XPOJWFGJVZQHLE-FQEVSTJZSA-N 2 2 338.499 3.212 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1C ZINC000414298705 309071272 /nfs/dbraw/zinc/07/12/72/309071272.db2.gz ZKYGPAHWOAFDSS-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nn1C ZINC000414298705 309071273 /nfs/dbraw/zinc/07/12/73/309071273.db2.gz ZKYGPAHWOAFDSS-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414318858 309072588 /nfs/dbraw/zinc/07/25/88/309072588.db2.gz YGMBZKFDQPTNRA-CRAIPNDOSA-N 2 2 339.414 3.438 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414321462 309072748 /nfs/dbraw/zinc/07/27/48/309072748.db2.gz FABWTVCSZMYSNH-ZDUSSCGKSA-N 2 2 346.500 3.207 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc3c1OC(F)(F)O3)CCC2 ZINC000414361541 309075129 /nfs/dbraw/zinc/07/51/29/309075129.db2.gz SVCPNXMLBOJUEQ-CYBMUJFWSA-N 2 2 335.354 3.180 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248198863 308000370 /nfs/dbraw/zinc/00/03/70/308000370.db2.gz XYRWDMAPJFGTSS-LMNJBCLMSA-N 2 2 342.483 3.073 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248198863 308000372 /nfs/dbraw/zinc/00/03/72/308000372.db2.gz XYRWDMAPJFGTSS-LMNJBCLMSA-N 2 2 342.483 3.073 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248842014 308013147 /nfs/dbraw/zinc/01/31/47/308013147.db2.gz OENRBNZUJPCTAC-STZQEDGTSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248842014 308013148 /nfs/dbraw/zinc/01/31/48/308013148.db2.gz OENRBNZUJPCTAC-STZQEDGTSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292949062 308083357 /nfs/dbraw/zinc/08/33/57/308083357.db2.gz KLGOIYBOWBVUDK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292949062 308083358 /nfs/dbraw/zinc/08/33/58/308083358.db2.gz KLGOIYBOWBVUDK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292949062 308083360 /nfs/dbraw/zinc/08/33/60/308083360.db2.gz KLGOIYBOWBVUDK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292949062 308083361 /nfs/dbraw/zinc/08/33/61/308083361.db2.gz KLGOIYBOWBVUDK-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000292980878 308086557 /nfs/dbraw/zinc/08/65/57/308086557.db2.gz LEKTTYALPDLJDV-UHFFFAOYSA-N 2 2 325.334 3.178 20 0 EGADLP CCOc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000293090375 308098563 /nfs/dbraw/zinc/09/85/63/308098563.db2.gz PKSNIFZZBLHOML-DFNIBXOVSA-N 2 2 332.488 3.159 20 0 EGADLP CCOc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000293090375 308098564 /nfs/dbraw/zinc/09/85/64/308098564.db2.gz PKSNIFZZBLHOML-DFNIBXOVSA-N 2 2 332.488 3.159 20 0 EGADLP CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000293090375 308098565 /nfs/dbraw/zinc/09/85/65/308098565.db2.gz PKSNIFZZBLHOML-DFNIBXOVSA-N 2 2 332.488 3.159 20 0 EGADLP CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000293090375 308098566 /nfs/dbraw/zinc/09/85/66/308098566.db2.gz PKSNIFZZBLHOML-DFNIBXOVSA-N 2 2 332.488 3.159 20 0 EGADLP C[NH+](C)C[C@H]1CCN(c2cc[nH+]c3c(Br)cccc23)C1 ZINC000293170261 308105862 /nfs/dbraw/zinc/10/58/62/308105862.db2.gz VEMCJXOUOVXPBY-GFCCVEGCSA-N 2 2 334.261 3.385 20 0 EGADLP C[NH+](C)Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000414494616 309084409 /nfs/dbraw/zinc/08/44/09/309084409.db2.gz FSLPWBNWAPZJMV-UHFFFAOYSA-N 2 2 328.435 3.363 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000295102948 308291662 /nfs/dbraw/zinc/29/16/62/308291662.db2.gz VDSFXDQRRCFXCC-ICSRJNTNSA-N 2 2 334.423 3.277 20 0 EGADLP [NH3+]C1(c2noc(CCn3c4ccccc4[nH+]c3C3CC3)n2)CCCC1 ZINC000414627532 309092445 /nfs/dbraw/zinc/09/24/45/309092445.db2.gz ZENJFMDRGQCCFM-UHFFFAOYSA-N 2 2 337.427 3.267 20 0 EGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414832117 309104385 /nfs/dbraw/zinc/10/43/85/309104385.db2.gz DTQCCCOPKMIAIF-GFCCVEGCSA-N 2 2 339.892 3.321 20 0 EGADLP COc1ccnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000301368951 308698035 /nfs/dbraw/zinc/69/80/35/308698035.db2.gz PEPLCEGUZXJBFN-UHFFFAOYSA-N 2 2 341.459 3.007 20 0 EGADLP C[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000414838038 309104741 /nfs/dbraw/zinc/10/47/41/309104741.db2.gz YIBOHSMFDGMVBX-UHFFFAOYSA-N 2 2 334.847 3.237 20 0 EGADLP Nc1nc(NCc2cccc(Cn3cc[nH+]c3)c2)[nH+]c2ccccc12 ZINC000301859384 308718766 /nfs/dbraw/zinc/71/87/66/308718766.db2.gz DZOUEPRCNOJHAZ-UHFFFAOYSA-N 2 2 330.395 3.069 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414933115 309110015 /nfs/dbraw/zinc/11/00/15/309110015.db2.gz ANCNALSAWYQJQU-BXKDBHETSA-N 2 2 349.219 3.281 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000333813211 308868922 /nfs/dbraw/zinc/86/89/22/308868922.db2.gz GBNROURZZPXPDJ-QAPCUYQASA-N 2 2 331.847 3.221 20 0 EGADLP Cc1cc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(C)[nH+]1 ZINC000333878833 308870334 /nfs/dbraw/zinc/87/03/34/308870334.db2.gz UBWXMJQFJYHLDO-UHFFFAOYSA-N 2 2 344.503 3.295 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000334029566 308874346 /nfs/dbraw/zinc/87/43/46/308874346.db2.gz CGQHIBXWMQYLHD-JKSUJKDBSA-N 2 2 347.507 3.231 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849504 309105478 /nfs/dbraw/zinc/10/54/78/309105478.db2.gz RJEZELYRCICQAH-QGZVFWFLSA-N 2 2 332.879 3.043 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1OCc1cccs1 ZINC000414869877 309106479 /nfs/dbraw/zinc/10/64/79/309106479.db2.gz RULQBHADEKJIFL-OAHLLOKOSA-N 2 2 332.469 3.177 20 0 EGADLP CCC[NH2+]CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414876747 309106908 /nfs/dbraw/zinc/10/69/08/309106908.db2.gz WIKRBJDTOGLRHB-UHFFFAOYSA-N 2 2 327.875 3.033 20 0 EGADLP CCC[NH2+]CCNC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000414876747 309106909 /nfs/dbraw/zinc/10/69/09/309106909.db2.gz WIKRBJDTOGLRHB-UHFFFAOYSA-N 2 2 327.875 3.033 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)c(OC)c2)cc1 ZINC000414889470 309107529 /nfs/dbraw/zinc/10/75/29/309107529.db2.gz SSJAOAXMZKVGPF-PMACEKPBSA-N 2 2 340.467 3.248 20 0 EGADLP C[C@]1(C[NH2+]Cc2csc(COc3ccccc3)n2)CCC[NH2+]C1 ZINC000414907410 309108465 /nfs/dbraw/zinc/10/84/65/309108465.db2.gz QLIHWOPDRHVRBG-SFHVURJKSA-N 2 2 331.485 3.201 20 0 EGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414934112 309109994 /nfs/dbraw/zinc/10/99/94/309109994.db2.gz UYSPRDWGGZHIRK-RTBURBONSA-N 2 2 332.488 3.112 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCC[NH2+]1 ZINC000414947422 309110680 /nfs/dbraw/zinc/11/06/80/309110680.db2.gz VBTZGBGCZZQTIL-GOSISDBHSA-N 2 2 334.460 3.412 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000414964398 309111812 /nfs/dbraw/zinc/11/18/12/309111812.db2.gz YEADMQPIVWXFBZ-QFIPXVFZSA-N 2 2 346.478 3.372 20 0 EGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414976320 309112535 /nfs/dbraw/zinc/11/25/35/309112535.db2.gz IAZFKJZHCATOIN-NSHDSACASA-N 2 2 325.172 3.295 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000415062541 309117824 /nfs/dbraw/zinc/11/78/24/309117824.db2.gz FPLSLIXFSKEZEO-KRWDZBQOSA-N 2 2 344.455 3.064 20 0 EGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000415081100 309118786 /nfs/dbraw/zinc/11/87/86/309118786.db2.gz KAFVMBIQVNPGEC-QUCCMNQESA-N 3 2 340.515 3.374 20 0 EGADLP C[C@H]1CCC[C@@H](C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126773 309122175 /nfs/dbraw/zinc/12/21/75/309122175.db2.gz GVEYKEAQXNRGPJ-AZUAARDMSA-N 3 2 329.532 3.396 20 0 EGADLP CCc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415132285 309122711 /nfs/dbraw/zinc/12/27/11/309122711.db2.gz KUDCHRXCFGZFKQ-UHFFFAOYSA-N 3 2 337.511 3.332 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC(F)F ZINC000415136081 309122963 /nfs/dbraw/zinc/12/29/63/309122963.db2.gz XCJWIRPPHJYFCZ-TZMCWYRMSA-N 2 2 328.403 3.103 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC(F)F ZINC000415136081 309122964 /nfs/dbraw/zinc/12/29/64/309122964.db2.gz XCJWIRPPHJYFCZ-TZMCWYRMSA-N 2 2 328.403 3.103 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415291475 309129967 /nfs/dbraw/zinc/12/99/67/309129967.db2.gz GYNPVSRTBVQKHI-KRWDZBQOSA-N 2 2 341.459 3.224 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000415294742 309130234 /nfs/dbraw/zinc/13/02/34/309130234.db2.gz OXFYXVJQXLNYGZ-CQSZACIVSA-N 2 2 329.448 3.161 20 0 EGADLP C[C@H](CCC[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415599352 309138102 /nfs/dbraw/zinc/13/81/02/309138102.db2.gz QOQHUGLCMYPYPH-CQSZACIVSA-N 2 2 341.459 3.135 20 0 EGADLP Cc1ccc([C@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)[NH+](C)C)cc1 ZINC000417870404 309226113 /nfs/dbraw/zinc/22/61/13/309226113.db2.gz FUVFRXCHDUXFJH-FQEVSTJZSA-N 2 2 339.483 3.089 20 0 EGADLP CCN(CC)C(=O)[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000419299579 309263673 /nfs/dbraw/zinc/26/36/73/309263673.db2.gz YTNLESQVKMWJCP-HXUWFJFHSA-N 2 2 343.515 3.203 20 0 EGADLP FC1(F)C[NH2+]CC[C@H]1CNc1[nH+]cccc1OCc1ccccc1 ZINC000420278349 309279131 /nfs/dbraw/zinc/27/91/31/309279131.db2.gz IZIRKOGJOWBKMY-HNNXBMFYSA-N 2 2 333.382 3.317 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303215 309280520 /nfs/dbraw/zinc/28/05/20/309280520.db2.gz HMGLGRDFKTUWPT-QOKNQOGYSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303215 309280521 /nfs/dbraw/zinc/28/05/21/309280521.db2.gz HMGLGRDFKTUWPT-QOKNQOGYSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326644 309282304 /nfs/dbraw/zinc/28/23/04/309282304.db2.gz XRMADODJGOAEPU-DLBZAZTESA-N 2 2 349.478 3.119 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326644 309282305 /nfs/dbraw/zinc/28/23/05/309282305.db2.gz XRMADODJGOAEPU-DLBZAZTESA-N 2 2 349.478 3.119 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420324109 309282426 /nfs/dbraw/zinc/28/24/26/309282426.db2.gz ZAMNSEVAMFBZDF-QGZVFWFLSA-N 2 2 330.863 3.275 20 0 EGADLP Cc1cc(C[N@H+](C)[C@H](C[NH3+])C2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420324109 309282427 /nfs/dbraw/zinc/28/24/27/309282427.db2.gz ZAMNSEVAMFBZDF-QGZVFWFLSA-N 2 2 330.863 3.275 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000420361217 309284039 /nfs/dbraw/zinc/28/40/39/309284039.db2.gz LWGPUVJRSAXRQX-LJQANCHMSA-N 2 2 343.515 3.330 20 0 EGADLP CC[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccccc1OC(F)F ZINC000420368180 309284544 /nfs/dbraw/zinc/28/45/44/309284544.db2.gz HMZANLSLVGQVKD-LLVKDONJSA-N 2 2 340.374 3.106 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000420377532 309285312 /nfs/dbraw/zinc/28/53/12/309285312.db2.gz SGPUTCKRNIOMEW-HNNXBMFYSA-N 2 2 332.394 3.074 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000420377532 309285313 /nfs/dbraw/zinc/28/53/13/309285313.db2.gz SGPUTCKRNIOMEW-HNNXBMFYSA-N 2 2 332.394 3.074 20 0 EGADLP CC(C)c1ccc(-c2ncc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)s2)cc1 ZINC000420387160 309285727 /nfs/dbraw/zinc/28/57/27/309285727.db2.gz JUSQLDCDMDJHGD-KRWDZBQOSA-N 2 2 345.512 3.483 20 0 EGADLP CC(C)c1ccc(-c2ncc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)s2)cc1 ZINC000420387160 309285728 /nfs/dbraw/zinc/28/57/28/309285728.db2.gz JUSQLDCDMDJHGD-KRWDZBQOSA-N 2 2 345.512 3.483 20 0 EGADLP C[NH2+]CCCN[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420406053 309286622 /nfs/dbraw/zinc/28/66/22/309286622.db2.gz NJFYNUFPQZAWOM-SJORKVTESA-N 2 2 327.875 3.202 20 0 EGADLP C[NH2+]CCCN[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420406053 309286623 /nfs/dbraw/zinc/28/66/23/309286623.db2.gz NJFYNUFPQZAWOM-SJORKVTESA-N 2 2 327.875 3.202 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409936 309286818 /nfs/dbraw/zinc/28/68/18/309286818.db2.gz XRIOLYSWXCYJKC-GOEBONIOSA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409936 309286819 /nfs/dbraw/zinc/28/68/19/309286819.db2.gz XRIOLYSWXCYJKC-GOEBONIOSA-N 2 2 330.451 3.159 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)n1 ZINC000420414620 309287176 /nfs/dbraw/zinc/28/71/76/309287176.db2.gz UNMQSSAEAMCXJZ-UHFFFAOYSA-N 2 2 336.386 3.101 20 0 EGADLP FC(F)(F)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420897327 309299772 /nfs/dbraw/zinc/29/97/72/309299772.db2.gz CJHWPQIQDPRNIY-QGZVFWFLSA-N 2 2 342.405 3.293 20 0 EGADLP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420897327 309299773 /nfs/dbraw/zinc/29/97/73/309299773.db2.gz CJHWPQIQDPRNIY-QGZVFWFLSA-N 2 2 342.405 3.293 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000420903626 309300036 /nfs/dbraw/zinc/30/00/36/309300036.db2.gz BGWGAKMEXPWBEC-VQTJNVASSA-N 2 2 346.540 3.379 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000420903626 309300037 /nfs/dbraw/zinc/30/00/37/309300037.db2.gz BGWGAKMEXPWBEC-VQTJNVASSA-N 2 2 346.540 3.379 20 0 EGADLP FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420906282 309300247 /nfs/dbraw/zinc/30/02/47/309300247.db2.gz SDBODWCZRNZSAH-QGZVFWFLSA-N 2 2 342.405 3.293 20 0 EGADLP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420906282 309300248 /nfs/dbraw/zinc/30/02/48/309300248.db2.gz SDBODWCZRNZSAH-QGZVFWFLSA-N 2 2 342.405 3.293 20 0 EGADLP CC[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccs1 ZINC000420930778 309301890 /nfs/dbraw/zinc/30/18/90/309301890.db2.gz FDMUKPONSSVVMS-LJQANCHMSA-N 2 2 345.512 3.390 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccncc1Cl ZINC000421823038 309341575 /nfs/dbraw/zinc/34/15/75/309341575.db2.gz YNYKSIAPDSQNIQ-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP COC1([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCCC1 ZINC000421821827 309341669 /nfs/dbraw/zinc/34/16/69/309341669.db2.gz UKCFTRGTKSRRPL-KRWDZBQOSA-N 2 2 327.472 3.411 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1Cl ZINC000421831276 309342090 /nfs/dbraw/zinc/34/20/90/309342090.db2.gz DRDBPHFVKLHQEF-ZFWWWQNUSA-N 2 2 345.878 3.443 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422722187 309364973 /nfs/dbraw/zinc/36/49/73/309364973.db2.gz XCIZXJCILPUBJR-IRXDYDNUSA-N 2 2 327.428 3.152 20 0 EGADLP Cc1ccc(C[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccn2)cc1 ZINC000422749483 309366542 /nfs/dbraw/zinc/36/65/42/309366542.db2.gz ZJNGNRZRSKXVIO-DSKINZAPSA-N 2 2 339.483 3.030 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000422789074 309368367 /nfs/dbraw/zinc/36/83/67/309368367.db2.gz SZNDCFSFVCSICY-WMQCIHAUSA-N 2 2 325.500 3.146 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1OC(F)F ZINC000422870432 309372962 /nfs/dbraw/zinc/37/29/62/309372962.db2.gz BPTCMZILXNBAOX-ZIAGYGMSSA-N 2 2 328.403 3.436 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422908868 309375633 /nfs/dbraw/zinc/37/56/33/309375633.db2.gz MZPXLBKDEOPNND-BMFZPTHFSA-N 2 2 337.895 3.048 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422962868 309378451 /nfs/dbraw/zinc/37/84/51/309378451.db2.gz GVTMWXNJEIOAJO-DFQSSKMNSA-N 2 2 341.499 3.355 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422962868 309378452 /nfs/dbraw/zinc/37/84/52/309378452.db2.gz GVTMWXNJEIOAJO-DFQSSKMNSA-N 2 2 341.499 3.355 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422977663 309379336 /nfs/dbraw/zinc/37/93/36/309379336.db2.gz XEKKTDBHEAWPCX-MOPGFXCFSA-N 2 2 325.456 3.281 20 0 EGADLP OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000422996493 309380009 /nfs/dbraw/zinc/38/00/09/309380009.db2.gz SVUMCMFVPCZBPP-WBAXXEDZSA-N 2 2 332.394 3.081 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996519 309380052 /nfs/dbraw/zinc/38/00/52/309380052.db2.gz MJZPKDCKLMCVRO-HLAWJBBLSA-N 3 2 329.532 3.437 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996519 309380053 /nfs/dbraw/zinc/38/00/53/309380053.db2.gz MJZPKDCKLMCVRO-HLAWJBBLSA-N 3 2 329.532 3.437 20 0 EGADLP FC(F)COc1cnccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423103331 309386072 /nfs/dbraw/zinc/38/60/72/309386072.db2.gz PAWVAVNERDPRCF-IRXDYDNUSA-N 2 2 347.409 3.308 20 0 EGADLP FC(F)(F)[C@H](CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000423133907 309387692 /nfs/dbraw/zinc/38/76/92/309387692.db2.gz LIQMGTUSFBRFFG-BRWVUGGUSA-N 2 2 342.405 3.079 20 0 EGADLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423176431 309389246 /nfs/dbraw/zinc/38/92/46/309389246.db2.gz CHJKUVPVRYBWLZ-LLVKDONJSA-N 2 2 325.172 3.467 20 0 EGADLP Brc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccco2)cc1 ZINC000423192566 309389899 /nfs/dbraw/zinc/38/98/99/309389899.db2.gz VZKZCMFBLRDQAJ-INIZCTEOSA-N 2 2 335.245 3.473 20 0 EGADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC[NH2+]C1 ZINC000423203885 309390333 /nfs/dbraw/zinc/39/03/33/309390333.db2.gz AKLNBIPDEXRGBB-GXSJLCMTSA-N 2 2 349.784 3.027 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233415 309391675 /nfs/dbraw/zinc/39/16/75/309391675.db2.gz JUVMFDRETBIBOQ-FZMZJTMJSA-N 2 2 325.250 3.004 20 0 EGADLP CC[NH2+]CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423252664 309392333 /nfs/dbraw/zinc/39/23/33/309392333.db2.gz XYYFWRWTKDXJIN-INIZCTEOSA-N 2 2 341.293 3.116 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)C12CCOCC2 ZINC000423251862 309392365 /nfs/dbraw/zinc/39/23/65/309392365.db2.gz WTDJBXMNIWQAFY-XUVXKRRUSA-N 2 2 346.515 3.374 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000423260039 309392834 /nfs/dbraw/zinc/39/28/34/309392834.db2.gz GQAJWLBFQPZZMN-BEFAXECRSA-N 2 2 341.503 3.442 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCCCC1 ZINC000423264300 309393008 /nfs/dbraw/zinc/39/30/08/309393008.db2.gz PUTJQNWSHNKWOI-KJJMTIBFSA-N 3 2 341.543 3.394 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCCCC1 ZINC000423264300 309393009 /nfs/dbraw/zinc/39/30/09/309393009.db2.gz PUTJQNWSHNKWOI-KJJMTIBFSA-N 3 2 341.543 3.394 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@@H](C)[NH3+] ZINC000423343478 309396271 /nfs/dbraw/zinc/39/62/71/309396271.db2.gz DMYGFZUBZVFQHU-KUHUBIRLSA-N 2 2 340.471 3.444 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC[NH2+]1 ZINC000423365807 309397254 /nfs/dbraw/zinc/39/72/54/309397254.db2.gz BWLYEJPZEHAMEH-GPCCPHFNSA-N 2 2 327.241 3.306 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc(Br)s1 ZINC000423368851 309397272 /nfs/dbraw/zinc/39/72/72/309397272.db2.gz DJXIZOWLYZSSRH-SECBINFHSA-N 2 2 338.274 3.360 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)C[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000423366916 309397379 /nfs/dbraw/zinc/39/73/79/309397379.db2.gz LTHXSMDLDMGFGC-VHSXEESVSA-N 2 2 327.259 3.485 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)cn1 ZINC000423393268 309398438 /nfs/dbraw/zinc/39/84/38/309398438.db2.gz MCVQFSWPKLKTLG-FOIQADDNSA-N 2 2 335.451 3.464 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1C ZINC000423404922 309398793 /nfs/dbraw/zinc/39/87/93/309398793.db2.gz SWERBFCJDIRUGT-MWHZBGGUSA-N 2 2 340.467 3.407 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CCC[NH2+]1 ZINC000423415092 309399352 /nfs/dbraw/zinc/39/93/52/309399352.db2.gz OLCUCQFHLLAHQN-PMACEKPBSA-N 2 2 328.431 3.273 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423415908 309399359 /nfs/dbraw/zinc/39/93/59/309399359.db2.gz FFXQRQWHYCKRKX-DOTOQJQBSA-N 2 2 328.403 3.097 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000423415643 309399363 /nfs/dbraw/zinc/39/93/63/309399363.db2.gz DZUHXGRSQRLGRU-XHDPSFHLSA-N 2 2 345.256 3.007 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423526478 309404938 /nfs/dbraw/zinc/40/49/38/309404938.db2.gz LHOCDOAJDJMKST-LJQANCHMSA-N 3 2 327.516 3.292 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425904220 309494266 /nfs/dbraw/zinc/49/42/66/309494266.db2.gz XKSJAMQRQSKXJS-PKOBYXMFSA-N 3 2 348.535 3.132 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1I)C[NH+](C)C ZINC000425923832 309494693 /nfs/dbraw/zinc/49/46/93/309494693.db2.gz OOEOELMFMVEPGB-RYUDHWBXSA-N 2 2 346.256 3.140 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)cc1O ZINC000426415504 309506833 /nfs/dbraw/zinc/50/68/33/309506833.db2.gz DOKAJZPVNZESKB-DLBZAZTESA-N 2 2 334.504 3.432 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000427864965 309537326 /nfs/dbraw/zinc/53/73/26/309537326.db2.gz GMRMVDIHSGUOKH-CMPLNLGQSA-N 2 2 338.224 3.450 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@]3(CO)C[C@H]3c3ccc(F)cc3)n2c1 ZINC000428559193 309555214 /nfs/dbraw/zinc/55/52/14/309555214.db2.gz PKVKYFYNHIAWLI-AZUAARDMSA-N 2 2 339.414 3.038 20 0 EGADLP COc1ccc([C@@H](C[NH2+]CC[C@@H]2CCOC2)[NH+]2CCCCC2)cc1 ZINC000438075231 309806036 /nfs/dbraw/zinc/80/60/36/309806036.db2.gz ARXUEYURPUHJCO-YLJYHZDGSA-N 2 2 332.488 3.238 20 0 EGADLP COCC1CCC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000449069884 310034545 /nfs/dbraw/zinc/03/45/45/310034545.db2.gz AMLATBDJERGBEW-UHFFFAOYSA-N 2 2 327.472 3.269 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000449075019 310034887 /nfs/dbraw/zinc/03/48/87/310034887.db2.gz QLDANJDRJAZXJV-GOSISDBHSA-N 2 2 325.456 3.165 20 0 EGADLP COCC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000449146060 310040131 /nfs/dbraw/zinc/04/01/31/310040131.db2.gz ZSXUHNUJNULJSF-USWSCHJFSA-N 2 2 331.504 3.087 20 0 EGADLP COCC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000449146060 310040132 /nfs/dbraw/zinc/04/01/32/310040132.db2.gz ZSXUHNUJNULJSF-USWSCHJFSA-N 2 2 331.504 3.087 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2cccc3ccoc32)[N@H+](Cc2ccccc2)C1 ZINC000449213572 310044969 /nfs/dbraw/zinc/04/49/69/310044969.db2.gz WVLLXMAGYXWHCE-WOJBJXKFSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2cccc3ccoc32)[N@@H+](Cc2ccccc2)C1 ZINC000449213572 310044970 /nfs/dbraw/zinc/04/49/70/310044970.db2.gz WVLLXMAGYXWHCE-WOJBJXKFSA-N 2 2 336.435 3.158 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388921 310058130 /nfs/dbraw/zinc/05/81/30/310058130.db2.gz QVWVIJZCWOCDSN-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388921 310058131 /nfs/dbraw/zinc/05/81/31/310058131.db2.gz QVWVIJZCWOCDSN-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C3CCC3)CC2)cc1 ZINC000449523458 310069137 /nfs/dbraw/zinc/06/91/37/310069137.db2.gz LGCYUXSHILXAHD-HNNXBMFYSA-N 2 2 329.488 3.388 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)COC(C)C)CC2)cc1 ZINC000449526868 310069426 /nfs/dbraw/zinc/06/94/26/310069426.db2.gz YCTSAXBAOKFBLN-INIZCTEOSA-N 2 2 347.503 3.013 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555480 310071480 /nfs/dbraw/zinc/07/14/80/310071480.db2.gz QJZMLKYAUHKXNU-UWVAXJGDSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555480 310071481 /nfs/dbraw/zinc/07/14/81/310071481.db2.gz QJZMLKYAUHKXNU-UWVAXJGDSA-N 2 2 325.456 3.164 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449561338 310072150 /nfs/dbraw/zinc/07/21/50/310072150.db2.gz BRBIKTFDXQIRRW-MRXNPFEDSA-N 2 2 344.478 3.400 20 0 EGADLP COc1cccnc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449747321 310084060 /nfs/dbraw/zinc/08/40/60/310084060.db2.gz IVDBNDQDNLMJKZ-AEFFLSMTSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449747321 310084061 /nfs/dbraw/zinc/08/40/61/310084061.db2.gz IVDBNDQDNLMJKZ-AEFFLSMTSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449750828 310084311 /nfs/dbraw/zinc/08/43/11/310084311.db2.gz WSTREWSOPDSJRJ-IPMKNSEASA-N 2 2 337.467 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449750828 310084312 /nfs/dbraw/zinc/08/43/12/310084312.db2.gz WSTREWSOPDSJRJ-IPMKNSEASA-N 2 2 337.467 3.090 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2cc1Cl ZINC000450318661 310115031 /nfs/dbraw/zinc/11/50/31/310115031.db2.gz OERJLUZXSANUJJ-GFCCVEGCSA-N 2 2 335.810 3.302 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c2cc1Cl ZINC000450318661 310115032 /nfs/dbraw/zinc/11/50/32/310115032.db2.gz OERJLUZXSANUJJ-GFCCVEGCSA-N 2 2 335.810 3.302 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505386 310127038 /nfs/dbraw/zinc/12/70/38/310127038.db2.gz YPBVLXLORGHEEE-PZJWPPBQSA-N 2 2 338.499 3.042 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505386 310127039 /nfs/dbraw/zinc/12/70/39/310127039.db2.gz YPBVLXLORGHEEE-PZJWPPBQSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505386 310127040 /nfs/dbraw/zinc/12/70/40/310127040.db2.gz YPBVLXLORGHEEE-PZJWPPBQSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505386 310127041 /nfs/dbraw/zinc/12/70/41/310127041.db2.gz YPBVLXLORGHEEE-PZJWPPBQSA-N 2 2 338.499 3.042 20 0 EGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000452100331 310212046 /nfs/dbraw/zinc/21/20/46/310212046.db2.gz ZEXWVSFGFABKRX-FQEVSTJZSA-N 2 2 326.484 3.207 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC1 ZINC000452736566 310239606 /nfs/dbraw/zinc/23/96/06/310239606.db2.gz ZKBRHSWPVMSOBZ-UHFFFAOYSA-N 2 2 348.450 3.119 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC1 ZINC000452736566 310239607 /nfs/dbraw/zinc/23/96/07/310239607.db2.gz ZKBRHSWPVMSOBZ-UHFFFAOYSA-N 2 2 348.450 3.119 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453106732 310258323 /nfs/dbraw/zinc/25/83/23/310258323.db2.gz ZSZALPHZUOBUPF-WBVHZDCISA-N 2 2 338.904 3.197 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453253703 310267063 /nfs/dbraw/zinc/26/70/63/310267063.db2.gz CXDWBVYMOZLYDM-OXJNMPFZSA-N 2 2 341.499 3.290 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453253703 310267064 /nfs/dbraw/zinc/26/70/64/310267064.db2.gz CXDWBVYMOZLYDM-OXJNMPFZSA-N 2 2 341.499 3.290 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274505 310268555 /nfs/dbraw/zinc/26/85/55/310268555.db2.gz WIVGREMSWUTKAM-LRDDRELGSA-N 2 2 343.298 3.417 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274505 310268556 /nfs/dbraw/zinc/26/85/56/310268556.db2.gz WIVGREMSWUTKAM-LRDDRELGSA-N 2 2 343.298 3.417 20 0 EGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C(C)(C)n1cncn1 ZINC000453310341 310270404 /nfs/dbraw/zinc/27/04/04/310270404.db2.gz YWNQGNBPZKAJMS-QGZVFWFLSA-N 2 2 341.503 3.046 20 0 EGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C(C)(C)n1cncn1 ZINC000453310341 310270405 /nfs/dbraw/zinc/27/04/05/310270405.db2.gz YWNQGNBPZKAJMS-QGZVFWFLSA-N 2 2 341.503 3.046 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CC1 ZINC000453331387 310271348 /nfs/dbraw/zinc/27/13/48/310271348.db2.gz UAEZKBZLZXQJSO-FQEVSTJZSA-N 2 2 329.488 3.388 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455841639 310379047 /nfs/dbraw/zinc/37/90/47/310379047.db2.gz DVUZRDHNNKTLBL-SUMWQHHRSA-N 2 2 341.459 3.335 20 0 EGADLP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000456525790 310410318 /nfs/dbraw/zinc/41/03/18/310410318.db2.gz RASFWEQLURQEQI-MRXNPFEDSA-N 2 2 339.439 3.430 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457793479 310472671 /nfs/dbraw/zinc/47/26/71/310472671.db2.gz WLSLGDWCYWOJEA-SFHVURJKSA-N 2 2 344.503 3.221 20 0 EGADLP CCOC(=O)[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(C)c1C ZINC000459633861 310565436 /nfs/dbraw/zinc/56/54/36/310565436.db2.gz VLPZPDZZMCMCPI-IBGZPJMESA-N 2 2 343.471 3.483 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414671 311064474 /nfs/dbraw/zinc/06/44/74/311064474.db2.gz HKGOVGRXDHKZER-GDBMZVCRSA-N 2 2 328.566 3.386 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1OCCc2sccc21 ZINC000492195990 311225423 /nfs/dbraw/zinc/22/54/23/311225423.db2.gz XVOFMROVXNRZOH-MEDUHNTESA-N 2 2 337.514 3.058 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000493358036 311364988 /nfs/dbraw/zinc/36/49/88/311364988.db2.gz OAXJVYSUHYSWPQ-VKJFTORMSA-N 2 2 347.503 3.312 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000493358036 311364989 /nfs/dbraw/zinc/36/49/89/311364989.db2.gz OAXJVYSUHYSWPQ-VKJFTORMSA-N 2 2 347.503 3.312 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494428107 311477306 /nfs/dbraw/zinc/47/73/06/311477306.db2.gz VIJOJRMYJHFOTD-QGZVFWFLSA-N 2 2 335.455 3.297 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494665812 311501068 /nfs/dbraw/zinc/50/10/68/311501068.db2.gz DZMLHBUNCDJJOJ-HZPDHXFCSA-N 2 2 349.906 3.077 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cccc(F)c2)c1 ZINC000510720630 312146821 /nfs/dbraw/zinc/14/68/21/312146821.db2.gz MSJIZTBFMOLPJS-RTWAWAEBSA-N 2 2 342.458 3.270 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190704 /nfs/dbraw/zinc/19/07/04/312190704.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190708 /nfs/dbraw/zinc/19/07/08/312190708.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190710 /nfs/dbraw/zinc/19/07/10/312190710.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000512622922 312190713 /nfs/dbraw/zinc/19/07/13/312190713.db2.gz CRCDMQSBSCHXPY-ILWGZMRPSA-N 3 2 341.543 3.361 20 0 EGADLP CC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000515188010 312270146 /nfs/dbraw/zinc/27/01/46/312270146.db2.gz JQBRHBNZYUDWEZ-KGLIPLIRSA-N 2 2 343.393 3.335 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000515301110 312275031 /nfs/dbraw/zinc/27/50/31/312275031.db2.gz RRZYLPYETXKBSJ-DLBZAZTESA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000515301110 312275033 /nfs/dbraw/zinc/27/50/33/312275033.db2.gz RRZYLPYETXKBSJ-DLBZAZTESA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)[NH+](C)C ZINC000515400262 312280844 /nfs/dbraw/zinc/28/08/44/312280844.db2.gz GRVITYMNATVVHD-NSHDSACASA-N 2 2 331.273 3.449 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@H]3CCO[C@H](c4ccncc4)C3)c2)c[nH+]1 ZINC000515459011 312283824 /nfs/dbraw/zinc/28/38/24/312283824.db2.gz ZTDMPZHDPYATIF-YJBOKZPZSA-N 2 2 340.452 3.339 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1)C1CC1 ZINC000515856340 312301060 /nfs/dbraw/zinc/30/10/60/312301060.db2.gz SJSHMMQZXXXRBD-UHFFFAOYSA-N 2 2 340.471 3.368 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1)C1CC1 ZINC000515856340 312301062 /nfs/dbraw/zinc/30/10/62/312301062.db2.gz SJSHMMQZXXXRBD-UHFFFAOYSA-N 2 2 340.471 3.368 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000516565658 312329974 /nfs/dbraw/zinc/32/99/74/312329974.db2.gz HLRBRXGFPROLLT-MRXNPFEDSA-N 2 2 345.535 3.169 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000516565658 312329976 /nfs/dbraw/zinc/32/99/76/312329976.db2.gz HLRBRXGFPROLLT-MRXNPFEDSA-N 2 2 345.535 3.169 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000517500915 312381338 /nfs/dbraw/zinc/38/13/38/312381338.db2.gz JKMMGLKXZCGOMP-PMOLBWCYSA-N 2 2 345.531 3.053 20 0 EGADLP Cc1cn2cc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)ccc2[nH+]1 ZINC000523425100 312619295 /nfs/dbraw/zinc/61/92/95/312619295.db2.gz CEATYWASUCAAEJ-UHFFFAOYSA-N 2 2 337.427 3.026 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccncn1)CCC2 ZINC000527282978 312849738 /nfs/dbraw/zinc/84/97/38/312849738.db2.gz FJIWWVDPDQRGOK-MJGOQNOKSA-N 2 2 333.439 3.238 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000528421566 313089198 /nfs/dbraw/zinc/08/91/98/313089198.db2.gz AJDDQSUDCSEPNQ-IPELMVKDSA-N 2 2 331.435 3.163 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000528421566 313089199 /nfs/dbraw/zinc/08/91/99/313089199.db2.gz AJDDQSUDCSEPNQ-IPELMVKDSA-N 2 2 331.435 3.163 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177860 313491405 /nfs/dbraw/zinc/49/14/05/313491405.db2.gz IZANUHQSVVNNKY-KRWDZBQOSA-N 2 2 330.863 3.208 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(C)c[nH+]1 ZINC000535061134 314021558 /nfs/dbraw/zinc/02/15/58/314021558.db2.gz WEPQTPKLRNEGEH-IBGZPJMESA-N 2 2 338.455 3.079 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@@H]1C ZINC000536659714 314136821 /nfs/dbraw/zinc/13/68/21/314136821.db2.gz HDJMLMKFGYAKRQ-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@@H]1C ZINC000536659714 314136822 /nfs/dbraw/zinc/13/68/22/314136822.db2.gz HDJMLMKFGYAKRQ-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@@H]1C ZINC000536659714 314136825 /nfs/dbraw/zinc/13/68/25/314136825.db2.gz HDJMLMKFGYAKRQ-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@H](C)O3)C[C@@H]1C ZINC000536659714 314136828 /nfs/dbraw/zinc/13/68/28/314136828.db2.gz HDJMLMKFGYAKRQ-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000536857140 314150541 /nfs/dbraw/zinc/15/05/41/314150541.db2.gz IWOCRSOHAZGANE-VYDXJSESSA-N 2 2 334.529 3.496 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000536857140 314150544 /nfs/dbraw/zinc/15/05/44/314150544.db2.gz IWOCRSOHAZGANE-VYDXJSESSA-N 2 2 334.529 3.496 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000537477694 314183774 /nfs/dbraw/zinc/18/37/74/314183774.db2.gz KEPQONCKWMNSAX-NJDAHSKKSA-N 2 2 330.516 3.487 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000537477694 314183777 /nfs/dbraw/zinc/18/37/77/314183777.db2.gz KEPQONCKWMNSAX-NJDAHSKKSA-N 2 2 330.516 3.487 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000537967690 314220922 /nfs/dbraw/zinc/22/09/22/314220922.db2.gz VSXZYNFBJYDZKN-MQIPJXDCSA-N 2 2 341.293 3.276 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000537967690 314220924 /nfs/dbraw/zinc/22/09/24/314220924.db2.gz VSXZYNFBJYDZKN-MQIPJXDCSA-N 2 2 341.293 3.276 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)CCc3cccc(F)c3)CC2)c1 ZINC000541226304 314442366 /nfs/dbraw/zinc/44/23/66/314442366.db2.gz ZFPOIODNUUOQLQ-MRXNPFEDSA-N 2 2 343.446 3.373 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000548635171 315028902 /nfs/dbraw/zinc/02/89/02/315028902.db2.gz ZIPVHTTYQXIOAH-ZFWWWQNUSA-N 2 2 346.862 3.167 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)c(C)c1OC ZINC000552049931 315193163 /nfs/dbraw/zinc/19/31/63/315193163.db2.gz JRESQSZWYBAFLB-HZPDHXFCSA-N 2 2 334.504 3.265 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)c(C)c1OC ZINC000552049931 315193167 /nfs/dbraw/zinc/19/31/67/315193167.db2.gz JRESQSZWYBAFLB-HZPDHXFCSA-N 2 2 334.504 3.265 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000554795427 315349126 /nfs/dbraw/zinc/34/91/26/315349126.db2.gz DTQGQMRVKOGCFH-KDOFPFPSSA-N 2 2 337.423 3.086 20 0 EGADLP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc3c(c1)[nH+]c(C1CC1)n3C)CC2 ZINC000561309242 315755851 /nfs/dbraw/zinc/75/58/51/315755851.db2.gz ANMMGDRHUZJQJI-CQSZACIVSA-N 2 2 349.438 3.157 20 0 EGADLP c1ccc(OCCCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429066 316020627 /nfs/dbraw/zinc/02/06/27/316020627.db2.gz NTOCCYIVQWQZKK-FQEVSTJZSA-N 2 2 346.515 3.422 20 0 EGADLP c1ccc(OCCCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429066 316020631 /nfs/dbraw/zinc/02/06/31/316020631.db2.gz NTOCCYIVQWQZKK-FQEVSTJZSA-N 2 2 346.515 3.422 20 0 EGADLP c1cn(-c2ccccc2OCc2ccc(C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000563700157 316058480 /nfs/dbraw/zinc/05/84/80/316058480.db2.gz CXJWUUIFHDJYIZ-UHFFFAOYSA-N 2 2 349.434 3.284 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352931 316141830 /nfs/dbraw/zinc/14/18/30/316141830.db2.gz YODBJOZPDYTVDQ-WBVHZDCISA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352931 316141835 /nfs/dbraw/zinc/14/18/35/316141835.db2.gz YODBJOZPDYTVDQ-WBVHZDCISA-N 2 2 340.471 3.026 20 0 EGADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000564417525 316149390 /nfs/dbraw/zinc/14/93/90/316149390.db2.gz CDKFGEPWCFMZFT-MRXNPFEDSA-N 2 2 341.459 3.462 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667676 316186127 /nfs/dbraw/zinc/18/61/27/316186127.db2.gz WBRSKXYYJJNUDS-GWCFXTLKSA-N 2 2 340.349 3.067 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667676 316186129 /nfs/dbraw/zinc/18/61/29/316186129.db2.gz WBRSKXYYJJNUDS-GWCFXTLKSA-N 2 2 340.349 3.067 20 0 EGADLP CS[C@H](C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000564792610 316206434 /nfs/dbraw/zinc/20/64/34/316206434.db2.gz OISAKEVZJSAYFL-CRAIPNDOSA-N 2 2 349.544 3.381 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)c(OC)c1 ZINC000565958691 316394441 /nfs/dbraw/zinc/39/44/41/316394441.db2.gz CWSQNLBTGIZZDH-QWHCGFSZSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)cs2)c(OC)c1 ZINC000565958691 316394445 /nfs/dbraw/zinc/39/44/45/316394445.db2.gz CWSQNLBTGIZZDH-QWHCGFSZSA-N 2 2 347.484 3.139 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCCc4occc43)c2cc1C ZINC000568954213 316844555 /nfs/dbraw/zinc/84/45/55/316844555.db2.gz BNGSRURGZBMIOW-DOTOQJQBSA-N 2 2 339.439 3.274 20 0 EGADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569926871 316983803 /nfs/dbraw/zinc/98/38/03/316983803.db2.gz GVRFCZYGAGZTIS-KGLIPLIRSA-N 2 2 341.459 3.134 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000570123575 317011080 /nfs/dbraw/zinc/01/10/80/317011080.db2.gz SXIJGPIYWYQFCZ-KBPBESRZSA-N 2 2 339.443 3.403 20 0 EGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000570380618 317046867 /nfs/dbraw/zinc/04/68/67/317046867.db2.gz QQKSTPVUXWBKBR-KRWDZBQOSA-N 2 2 326.444 3.137 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000571648518 317228214 /nfs/dbraw/zinc/22/82/14/317228214.db2.gz TWNGSZVFYIZITL-HXUWFJFHSA-N 2 2 326.488 3.293 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000571648518 317228216 /nfs/dbraw/zinc/22/82/16/317228216.db2.gz TWNGSZVFYIZITL-HXUWFJFHSA-N 2 2 326.488 3.293 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000572081976 317286843 /nfs/dbraw/zinc/28/68/43/317286843.db2.gz ZRLQFSDXNRZYIN-NRFANRHFSA-N 2 2 342.458 3.389 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c[nH+]1 ZINC000572081976 317286846 /nfs/dbraw/zinc/28/68/46/317286846.db2.gz ZRLQFSDXNRZYIN-NRFANRHFSA-N 2 2 342.458 3.389 20 0 EGADLP COc1cccc2c1CCC[C@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572085720 317287775 /nfs/dbraw/zinc/28/77/75/317287775.db2.gz BFKRALDVTCHHET-JTDSTZFVSA-N 2 2 332.488 3.162 20 0 EGADLP COc1cccc2c1CCC[C@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572085720 317287778 /nfs/dbraw/zinc/28/77/78/317287778.db2.gz BFKRALDVTCHHET-JTDSTZFVSA-N 2 2 332.488 3.162 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(C)c[nH+]1 ZINC000572443800 317338869 /nfs/dbraw/zinc/33/88/69/317338869.db2.gz DHXWMLHOPOXFDI-QGZVFWFLSA-N 2 2 330.476 3.039 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c(C)c[nH+]1 ZINC000572443800 317338872 /nfs/dbraw/zinc/33/88/72/317338872.db2.gz DHXWMLHOPOXFDI-QGZVFWFLSA-N 2 2 330.476 3.039 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCn3c(C)[nH+]c4ccccc43)ccn12 ZINC000572539484 317353081 /nfs/dbraw/zinc/35/30/81/317353081.db2.gz CFMDBUPWPVAATK-UHFFFAOYSA-N 2 2 347.422 3.121 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000226508670 456110918 /nfs/dbraw/zinc/11/09/18/456110918.db2.gz GKIJSUFVRLSTAS-CYBMUJFWSA-N 2 2 334.261 3.181 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000226508670 456110924 /nfs/dbraw/zinc/11/09/24/456110924.db2.gz GKIJSUFVRLSTAS-CYBMUJFWSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000177806829 323345901 /nfs/dbraw/zinc/34/59/01/323345901.db2.gz XPCCHLIARVNFHR-OYLFLEFRSA-N 2 2 339.464 3.461 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000349249982 324000927 /nfs/dbraw/zinc/00/09/27/324000927.db2.gz WZAITOFIMMENPV-QRQLOZEOSA-N 2 2 343.515 3.076 20 0 EGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000349249982 324000930 /nfs/dbraw/zinc/00/09/30/324000930.db2.gz WZAITOFIMMENPV-QRQLOZEOSA-N 2 2 343.515 3.076 20 0 EGADLP c1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccn12 ZINC000388522598 324276101 /nfs/dbraw/zinc/27/61/01/324276101.db2.gz UBYILOPVRKAFEK-WOJBJXKFSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccn12 ZINC000388522598 324276105 /nfs/dbraw/zinc/27/61/05/324276105.db2.gz UBYILOPVRKAFEK-WOJBJXKFSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccn12 ZINC000388522598 324276111 /nfs/dbraw/zinc/27/61/11/324276111.db2.gz UBYILOPVRKAFEK-WOJBJXKFSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccn12 ZINC000388522598 324276114 /nfs/dbraw/zinc/27/61/14/324276114.db2.gz UBYILOPVRKAFEK-WOJBJXKFSA-N 2 2 346.478 3.288 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389860069 324281383 /nfs/dbraw/zinc/28/13/83/324281383.db2.gz FZNDHJATUZKIQC-DNVCBOLYSA-N 2 2 328.431 3.444 20 0 EGADLP COc1ccc(F)cc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389860069 324281386 /nfs/dbraw/zinc/28/13/86/324281386.db2.gz FZNDHJATUZKIQC-DNVCBOLYSA-N 2 2 328.431 3.444 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390911082 324284952 /nfs/dbraw/zinc/28/49/52/324284952.db2.gz WYFFZJMZDGGOIS-KRWDZBQOSA-N 2 2 330.501 3.237 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390911082 324284954 /nfs/dbraw/zinc/28/49/54/324284954.db2.gz WYFFZJMZDGGOIS-KRWDZBQOSA-N 2 2 330.501 3.237 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000578662688 325000906 /nfs/dbraw/zinc/00/09/06/325000906.db2.gz SBIBQGWCPRAAHY-HNBVOPMISA-N 2 2 346.515 3.464 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000578662688 325000910 /nfs/dbraw/zinc/00/09/10/325000910.db2.gz SBIBQGWCPRAAHY-HNBVOPMISA-N 2 2 346.515 3.464 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000579244641 325083191 /nfs/dbraw/zinc/08/31/91/325083191.db2.gz UGNGAWROSMGYAA-UHFFFAOYSA-N 2 2 334.261 3.174 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000579244641 325083194 /nfs/dbraw/zinc/08/31/94/325083194.db2.gz UGNGAWROSMGYAA-UHFFFAOYSA-N 2 2 334.261 3.174 20 0 EGADLP C[NH+](C)[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1ccc(Cl)cc1 ZINC000579254785 325085205 /nfs/dbraw/zinc/08/52/05/325085205.db2.gz VZQFYZYCWVNRAT-MRXNPFEDSA-N 2 2 332.835 3.114 20 0 EGADLP CCC[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000579849295 325168182 /nfs/dbraw/zinc/16/81/82/325168182.db2.gz RYARKUSIQUMFMF-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000579849295 325168185 /nfs/dbraw/zinc/16/81/85/325168185.db2.gz RYARKUSIQUMFMF-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000579849295 325168187 /nfs/dbraw/zinc/16/81/87/325168187.db2.gz RYARKUSIQUMFMF-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000579849295 325168190 /nfs/dbraw/zinc/16/81/90/325168190.db2.gz RYARKUSIQUMFMF-OAQYLSRUSA-N 2 2 340.515 3.339 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000580209389 325219632 /nfs/dbraw/zinc/21/96/32/325219632.db2.gz ZZODUHPJCCJHAU-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000580209389 325219637 /nfs/dbraw/zinc/21/96/37/325219637.db2.gz ZZODUHPJCCJHAU-IBGZPJMESA-N 2 2 325.456 3.044 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000580700372 325285539 /nfs/dbraw/zinc/28/55/39/325285539.db2.gz VGVWAJIVGNHBHC-INIZCTEOSA-N 2 2 336.483 3.281 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412487 325358759 /nfs/dbraw/zinc/35/87/59/325358759.db2.gz QZBZUDNMSKPGMG-WBVHZDCISA-N 2 2 347.507 3.060 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000581412487 325358761 /nfs/dbraw/zinc/35/87/61/325358761.db2.gz QZBZUDNMSKPGMG-WBVHZDCISA-N 2 2 347.507 3.060 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ncccn4)[C@H]3C2)cc1 ZINC000581836165 325392202 /nfs/dbraw/zinc/39/22/02/325392202.db2.gz WAKKIQPHEWEFLT-SLFFLAALSA-N 2 2 336.483 3.257 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ncccn4)[C@H]3C2)cc1 ZINC000581836165 325392205 /nfs/dbraw/zinc/39/22/05/325392205.db2.gz WAKKIQPHEWEFLT-SLFFLAALSA-N 2 2 336.483 3.257 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000583148860 325499108 /nfs/dbraw/zinc/49/91/08/325499108.db2.gz ROQZECIXXCEZQK-SFHVURJKSA-N 2 2 334.891 3.154 20 0 EGADLP c1ccc(C[NH+](CCC[N@H+](Cc2ccccn2)C2CC2)C2CC2)nc1 ZINC000180865530 455257652 /nfs/dbraw/zinc/25/76/52/455257652.db2.gz FQUGZUAIVAIIFC-UHFFFAOYSA-N 2 2 336.483 3.496 20 0 EGADLP c1ccc(C[NH+](CCC[N@@H+](Cc2ccccn2)C2CC2)C2CC2)nc1 ZINC000180865530 455257656 /nfs/dbraw/zinc/25/76/56/455257656.db2.gz FQUGZUAIVAIIFC-UHFFFAOYSA-N 2 2 336.483 3.496 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262868 455264271 /nfs/dbraw/zinc/26/42/71/455264271.db2.gz VNFORPRAHYPQDY-MAUKXSAKSA-N 2 2 344.528 3.435 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000180959819 455270103 /nfs/dbraw/zinc/27/01/03/455270103.db2.gz YIPQEUBDYHNMPQ-UHFFFAOYSA-N 2 2 325.416 3.127 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181308052 455316275 /nfs/dbraw/zinc/31/62/75/455316275.db2.gz KNFFNORHQSKLHR-GYSYKLTISA-N 2 2 332.414 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181308052 455316277 /nfs/dbraw/zinc/31/62/77/455316277.db2.gz KNFFNORHQSKLHR-GYSYKLTISA-N 2 2 332.414 3.196 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000245539922 455324992 /nfs/dbraw/zinc/32/49/92/455324992.db2.gz JWOWKXAEVCRGJZ-LLGFUMIMSA-N 2 2 346.515 3.105 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000245539922 455324995 /nfs/dbraw/zinc/32/49/95/455324995.db2.gz JWOWKXAEVCRGJZ-LLGFUMIMSA-N 2 2 346.515 3.105 20 0 EGADLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000631834536 460577328 /nfs/dbraw/zinc/57/73/28/460577328.db2.gz ZKSKZQURZZSIRK-IBGZPJMESA-N 2 2 325.456 3.364 20 0 EGADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000631834536 460577335 /nfs/dbraw/zinc/57/73/35/460577335.db2.gz ZKSKZQURZZSIRK-IBGZPJMESA-N 2 2 325.456 3.364 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000245588044 455336414 /nfs/dbraw/zinc/33/64/14/455336414.db2.gz KFQXHLNMAQDQRB-SWLSCSKDSA-N 2 2 335.249 3.124 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158919396 455337273 /nfs/dbraw/zinc/33/72/73/455337273.db2.gz NYSGKNFAKJMURS-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158919396 455337280 /nfs/dbraw/zinc/33/72/80/455337280.db2.gz NYSGKNFAKJMURS-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158919396 455337284 /nfs/dbraw/zinc/33/72/84/455337284.db2.gz NYSGKNFAKJMURS-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158919396 455337290 /nfs/dbraw/zinc/33/72/90/455337290.db2.gz NYSGKNFAKJMURS-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158919529 455337648 /nfs/dbraw/zinc/33/76/48/455337648.db2.gz NYSGKNFAKJMURS-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158919529 455337655 /nfs/dbraw/zinc/33/76/55/455337655.db2.gz NYSGKNFAKJMURS-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158919529 455337660 /nfs/dbraw/zinc/33/76/60/455337660.db2.gz NYSGKNFAKJMURS-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158919529 455337664 /nfs/dbraw/zinc/33/76/64/455337664.db2.gz NYSGKNFAKJMURS-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP COc1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000016978456 453625590 /nfs/dbraw/zinc/62/55/90/453625590.db2.gz QSNYCMDSHJKVID-UHFFFAOYSA-N 2 2 348.450 3.203 20 0 EGADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000623573026 460617527 /nfs/dbraw/zinc/61/75/27/460617527.db2.gz VEOYVCBGGAJHNJ-ZDUSSCGKSA-N 2 2 334.407 3.110 20 0 EGADLP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075103988 453860943 /nfs/dbraw/zinc/86/09/43/453860943.db2.gz KQMWRGGZKNSCEH-OWJWWREXSA-N 2 2 339.464 3.461 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517121 453881487 /nfs/dbraw/zinc/88/14/87/453881487.db2.gz CPVZAQMRPIWVRO-XBMUEBEBSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517121 453881490 /nfs/dbraw/zinc/88/14/90/453881490.db2.gz CPVZAQMRPIWVRO-XBMUEBEBSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517121 453881493 /nfs/dbraw/zinc/88/14/93/453881493.db2.gz CPVZAQMRPIWVRO-XBMUEBEBSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000081517121 453881496 /nfs/dbraw/zinc/88/14/96/453881496.db2.gz CPVZAQMRPIWVRO-XBMUEBEBSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl)Cn1cc[nH+]c1 ZINC000066905625 453885085 /nfs/dbraw/zinc/88/50/85/453885085.db2.gz LNDYRSOJMPPHIG-AWEZNQCLSA-N 2 2 343.862 3.363 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500700 453936078 /nfs/dbraw/zinc/93/60/78/453936078.db2.gz MVGFSISFQBRFGO-CQSZACIVSA-N 2 2 343.862 3.457 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000084673137 454004476 /nfs/dbraw/zinc/00/44/76/454004476.db2.gz HODPQUMGGVUHRJ-DLBZAZTESA-N 2 2 326.444 3.095 20 0 EGADLP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc2[nH+]ccn2c1 ZINC000068309967 454016337 /nfs/dbraw/zinc/01/63/37/454016337.db2.gz ANXMAJWUGLIEJI-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1Cl ZINC000068384074 454022039 /nfs/dbraw/zinc/02/20/39/454022039.db2.gz XSDVJJYDALYBGS-INIZCTEOSA-N 2 2 342.830 3.020 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]([C@H]4C=CCCC4)C3)CC2)nc1 ZINC000076669375 454025289 /nfs/dbraw/zinc/02/52/89/454025289.db2.gz JGUXOSXIHMDVHY-PMACEKPBSA-N 2 2 340.515 3.024 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+]([C@H]4C=CCCC4)C3)CC2)nc1 ZINC000076669375 454025292 /nfs/dbraw/zinc/02/52/92/454025292.db2.gz JGUXOSXIHMDVHY-PMACEKPBSA-N 2 2 340.515 3.024 20 0 EGADLP Cc1cc2ccccc2[nH+]c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000095426278 454209258 /nfs/dbraw/zinc/20/92/58/454209258.db2.gz QMKAZJYEDZWSMJ-MRXNPFEDSA-N 2 2 325.456 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000120069983 454254958 /nfs/dbraw/zinc/25/49/58/454254958.db2.gz SNYMYEPVJYZPTP-HFAKWTLXSA-N 2 2 329.271 3.242 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C[N@H+]1C1CC1 ZINC000120069983 454254960 /nfs/dbraw/zinc/25/49/60/454254960.db2.gz SNYMYEPVJYZPTP-HFAKWTLXSA-N 2 2 329.271 3.242 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000090047502 454266926 /nfs/dbraw/zinc/26/69/26/454266926.db2.gz YOQQWNSTQMKNOX-YOEHRIQHSA-N 2 2 342.430 3.440 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000078562576 454276959 /nfs/dbraw/zinc/27/69/59/454276959.db2.gz XMASCJIWHZQBAN-MRXNPFEDSA-N 2 2 339.487 3.269 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000078562576 454276963 /nfs/dbraw/zinc/27/69/63/454276963.db2.gz XMASCJIWHZQBAN-MRXNPFEDSA-N 2 2 339.487 3.269 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000131719689 454279946 /nfs/dbraw/zinc/27/99/46/454279946.db2.gz ROLODIYZBGODOZ-UZLBHIALSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000131719689 454279950 /nfs/dbraw/zinc/27/99/50/454279950.db2.gz ROLODIYZBGODOZ-UZLBHIALSA-N 2 2 327.447 3.263 20 0 EGADLP CCC1(CC)[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C[C@@H]1OC ZINC000090461804 454308929 /nfs/dbraw/zinc/30/89/29/454308929.db2.gz VHHRYDPPBWKQJG-RNQOJCNYSA-N 2 2 345.531 3.475 20 0 EGADLP CCC1(CC)[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C[C@@H]1OC ZINC000090461804 454308931 /nfs/dbraw/zinc/30/89/31/454308931.db2.gz VHHRYDPPBWKQJG-RNQOJCNYSA-N 2 2 345.531 3.475 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090722830 454338067 /nfs/dbraw/zinc/33/80/67/454338067.db2.gz RBBWMRINTGRBEP-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000090722830 454338070 /nfs/dbraw/zinc/33/80/70/454338070.db2.gz RBBWMRINTGRBEP-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)cs1 ZINC000061554876 454346047 /nfs/dbraw/zinc/34/60/47/454346047.db2.gz QUIPZVPEGVHNSE-UHFFFAOYSA-N 2 2 342.468 3.407 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]CC[NH+]3CCCC3)cc2)cs1 ZINC000061556940 454346313 /nfs/dbraw/zinc/34/63/13/454346313.db2.gz XBDMAZDSKSFKKL-UHFFFAOYSA-N 2 2 331.485 3.216 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860871 454353074 /nfs/dbraw/zinc/35/30/74/454353074.db2.gz CTIWMOWYMHRAJH-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860871 454353077 /nfs/dbraw/zinc/35/30/77/454353077.db2.gz CTIWMOWYMHRAJH-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860871 454353081 /nfs/dbraw/zinc/35/30/81/454353081.db2.gz CTIWMOWYMHRAJH-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000072860871 454353087 /nfs/dbraw/zinc/35/30/87/454353087.db2.gz CTIWMOWYMHRAJH-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000072965502 454372614 /nfs/dbraw/zinc/37/26/14/454372614.db2.gz LSURVHKRQFMLEE-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000072965502 454372619 /nfs/dbraw/zinc/37/26/19/454372619.db2.gz LSURVHKRQFMLEE-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000072965502 454372624 /nfs/dbraw/zinc/37/26/24/454372624.db2.gz LSURVHKRQFMLEE-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000072965502 454372631 /nfs/dbraw/zinc/37/26/31/454372631.db2.gz LSURVHKRQFMLEE-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1O ZINC000048324781 454473737 /nfs/dbraw/zinc/47/37/37/454473737.db2.gz RJWXRFFCAIAOKY-SFHVURJKSA-N 2 2 326.440 3.328 20 0 EGADLP CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101914077 454487201 /nfs/dbraw/zinc/48/72/01/454487201.db2.gz HSVIFRBBHKSQDO-GOSISDBHSA-N 2 2 340.471 3.001 20 0 EGADLP CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101914077 454487205 /nfs/dbraw/zinc/48/72/05/454487205.db2.gz HSVIFRBBHKSQDO-GOSISDBHSA-N 2 2 340.471 3.001 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000121873442 454487231 /nfs/dbraw/zinc/48/72/31/454487231.db2.gz NWPUABXUHJKVLG-QFBILLFUSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000121873442 454487234 /nfs/dbraw/zinc/48/72/34/454487234.db2.gz NWPUABXUHJKVLG-QFBILLFUSA-N 2 2 338.455 3.422 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122053884 454507041 /nfs/dbraw/zinc/50/70/41/454507041.db2.gz KUWAQEUAMIUQIR-HXUWFJFHSA-N 2 2 344.499 3.089 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043751 454508505 /nfs/dbraw/zinc/50/85/05/454508505.db2.gz IPUAPVBFJIGATP-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043751 454508510 /nfs/dbraw/zinc/50/85/10/454508510.db2.gz IPUAPVBFJIGATP-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000092043751 454508512 /nfs/dbraw/zinc/50/85/12/454508512.db2.gz IPUAPVBFJIGATP-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000092043751 454508517 /nfs/dbraw/zinc/50/85/17/454508517.db2.gz IPUAPVBFJIGATP-TZIWHRDSSA-N 2 2 338.499 3.215 20 0 EGADLP OCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043792 454508825 /nfs/dbraw/zinc/50/88/25/454508825.db2.gz LESHQPXLTZFHBB-NQIIRXRSSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043792 454508830 /nfs/dbraw/zinc/50/88/30/454508830.db2.gz LESHQPXLTZFHBB-NQIIRXRSSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000092043792 454508834 /nfs/dbraw/zinc/50/88/34/454508834.db2.gz LESHQPXLTZFHBB-NQIIRXRSSA-N 2 2 340.467 3.258 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000092043792 454508839 /nfs/dbraw/zinc/50/88/39/454508839.db2.gz LESHQPXLTZFHBB-NQIIRXRSSA-N 2 2 340.467 3.258 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066261 454513006 /nfs/dbraw/zinc/51/30/06/454513006.db2.gz QVWRQUBLTKQGPX-CRAIPNDOSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066261 454513010 /nfs/dbraw/zinc/51/30/10/454513010.db2.gz QVWRQUBLTKQGPX-CRAIPNDOSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066261 454513015 /nfs/dbraw/zinc/51/30/15/454513015.db2.gz QVWRQUBLTKQGPX-CRAIPNDOSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066261 454513020 /nfs/dbraw/zinc/51/30/20/454513020.db2.gz QVWRQUBLTKQGPX-CRAIPNDOSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)cn1 ZINC000048782275 454515559 /nfs/dbraw/zinc/51/55/59/454515559.db2.gz WKXBYKGRUHIFLW-UHFFFAOYSA-N 2 2 344.365 3.467 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)[nH]1 ZINC000092073670 454516272 /nfs/dbraw/zinc/51/62/72/454516272.db2.gz OUBQHRLCDKCFSE-MRXNPFEDSA-N 2 2 335.411 3.372 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)[nH]1 ZINC000092073670 454516276 /nfs/dbraw/zinc/51/62/76/454516276.db2.gz OUBQHRLCDKCFSE-MRXNPFEDSA-N 2 2 335.411 3.372 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)CCO1 ZINC000092079658 454518927 /nfs/dbraw/zinc/51/89/27/454518927.db2.gz QOVGUVFISWRUEU-QGZVFWFLSA-N 2 2 344.499 3.161 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)CCO1 ZINC000092079658 454518930 /nfs/dbraw/zinc/51/89/30/454518930.db2.gz QOVGUVFISWRUEU-QGZVFWFLSA-N 2 2 344.499 3.161 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1 ZINC000049728041 454558672 /nfs/dbraw/zinc/55/86/72/454558672.db2.gz NMKVMTASPCYENR-UHFFFAOYSA-N 2 2 326.444 3.242 20 0 EGADLP C[NH+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000122910276 454580789 /nfs/dbraw/zinc/58/07/89/454580789.db2.gz LKQMWPXMMZZZOR-UHFFFAOYSA-N 2 2 328.504 3.270 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)c1 ZINC000104720462 454599410 /nfs/dbraw/zinc/59/94/10/454599410.db2.gz RJABTRZUTJNIOE-UHFFFAOYSA-N 2 2 349.381 3.014 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)CC3 ZINC000123219213 454616469 /nfs/dbraw/zinc/61/64/69/454616469.db2.gz SZTFZWMBCYQBKW-ZIAGYGMSSA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)CC3 ZINC000123219213 454616474 /nfs/dbraw/zinc/61/64/74/454616474.db2.gz SZTFZWMBCYQBKW-ZIAGYGMSSA-N 2 2 327.472 3.106 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000080960070 454656843 /nfs/dbraw/zinc/65/68/43/454656843.db2.gz DKPVZSKRCGSABM-ZFWWWQNUSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000080960070 454656846 /nfs/dbraw/zinc/65/68/46/454656846.db2.gz DKPVZSKRCGSABM-ZFWWWQNUSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960315 454657364 /nfs/dbraw/zinc/65/73/64/454657364.db2.gz QWOQUFPNCSVNST-NEPJUHHUSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960315 454657369 /nfs/dbraw/zinc/65/73/69/454657369.db2.gz QWOQUFPNCSVNST-NEPJUHHUSA-N 2 2 329.429 3.462 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000080974177 454663215 /nfs/dbraw/zinc/66/32/15/454663215.db2.gz AQCBQGDJLISVTM-CQSZACIVSA-N 2 2 339.395 3.322 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2o1 ZINC000080974177 454663220 /nfs/dbraw/zinc/66/32/20/454663220.db2.gz AQCBQGDJLISVTM-CQSZACIVSA-N 2 2 339.395 3.322 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc2ccccc21 ZINC000080985036 454666695 /nfs/dbraw/zinc/66/66/95/454666695.db2.gz USZNYDORKGVOPG-INIZCTEOSA-N 2 2 334.423 3.381 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc2ccccc21 ZINC000080985036 454666697 /nfs/dbraw/zinc/66/66/97/454666697.db2.gz USZNYDORKGVOPG-INIZCTEOSA-N 2 2 334.423 3.381 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093016933 454671146 /nfs/dbraw/zinc/67/11/46/454671146.db2.gz BXDKNKKLLBXFKB-GOSISDBHSA-N 2 2 340.467 3.491 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093016933 454671147 /nfs/dbraw/zinc/67/11/47/454671147.db2.gz BXDKNKKLLBXFKB-GOSISDBHSA-N 2 2 340.467 3.491 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N(C)C(C)C)CC1 ZINC000093300878 454700645 /nfs/dbraw/zinc/70/06/45/454700645.db2.gz BYYZNEYVDXBOSY-UHFFFAOYSA-N 2 2 342.487 3.102 20 0 EGADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)OCCO2 ZINC000152760243 454722767 /nfs/dbraw/zinc/72/27/67/454722767.db2.gz XPFHMRRRSPHFIF-KRWDZBQOSA-N 2 2 341.455 3.274 20 0 EGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000093665172 454727878 /nfs/dbraw/zinc/72/78/78/454727878.db2.gz ALDOGHOAFAXJLO-GOSISDBHSA-N 2 2 340.467 3.409 20 0 EGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000093665172 454727881 /nfs/dbraw/zinc/72/78/81/454727881.db2.gz ALDOGHOAFAXJLO-GOSISDBHSA-N 2 2 340.467 3.409 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683645 454729044 /nfs/dbraw/zinc/72/90/44/454729044.db2.gz HZQMSCCKJCSNAA-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683645 454729049 /nfs/dbraw/zinc/72/90/49/454729049.db2.gz HZQMSCCKJCSNAA-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000623634565 460651928 /nfs/dbraw/zinc/65/19/28/460651928.db2.gz LLQNTWQCJQVIMW-LLVKDONJSA-N 2 2 349.219 3.234 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000623634565 460651935 /nfs/dbraw/zinc/65/19/35/460651935.db2.gz LLQNTWQCJQVIMW-LLVKDONJSA-N 2 2 349.219 3.234 20 0 EGADLP CN(C(=O)c1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124802826 454771167 /nfs/dbraw/zinc/77/11/67/454771167.db2.gz PWLARCFSOHQHEO-SJORKVTESA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124802826 454771169 /nfs/dbraw/zinc/77/11/69/454771169.db2.gz PWLARCFSOHQHEO-SJORKVTESA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124851109 454776027 /nfs/dbraw/zinc/77/60/27/454776027.db2.gz NGIAOFBTTNVZBI-QZTJIDSGSA-N 2 2 337.552 3.218 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124851109 454776028 /nfs/dbraw/zinc/77/60/28/454776028.db2.gz NGIAOFBTTNVZBI-QZTJIDSGSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000153325886 454782648 /nfs/dbraw/zinc/78/26/48/454782648.db2.gz WZVOFMJAMMCWIT-JKSUJKDBSA-N 2 2 345.512 3.429 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125021714 454790626 /nfs/dbraw/zinc/79/06/26/454790626.db2.gz UXPQJUFOFNZCOG-QUCCMNQESA-N 2 2 345.531 3.369 20 0 EGADLP C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000153541570 454804134 /nfs/dbraw/zinc/80/41/34/454804134.db2.gz GJDIDJORESJGSM-ZWKOTPCHSA-N 2 2 334.529 3.211 20 0 EGADLP C[C@@H](CCSc1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000153541570 454804135 /nfs/dbraw/zinc/80/41/35/454804135.db2.gz GJDIDJORESJGSM-ZWKOTPCHSA-N 2 2 334.529 3.211 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000162919155 454809904 /nfs/dbraw/zinc/80/99/04/454809904.db2.gz BFJYBJSFELSYKH-MRXNPFEDSA-N 2 2 336.443 3.205 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149374395 454875682 /nfs/dbraw/zinc/87/56/82/454875682.db2.gz QYEHVFQIETYGKD-QGZVFWFLSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000149374395 454875687 /nfs/dbraw/zinc/87/56/87/454875687.db2.gz QYEHVFQIETYGKD-QGZVFWFLSA-N 2 2 340.471 3.257 20 0 EGADLP Brc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000112120230 454881212 /nfs/dbraw/zinc/88/12/12/454881212.db2.gz PYXGUXZKYVPTAB-UHFFFAOYSA-N 2 2 332.245 3.166 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150773577 454889634 /nfs/dbraw/zinc/88/96/34/454889634.db2.gz IBNIMTDPQYOBCM-JKSUJKDBSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150773577 454889636 /nfs/dbraw/zinc/88/96/36/454889636.db2.gz IBNIMTDPQYOBCM-JKSUJKDBSA-N 2 2 347.528 3.153 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)C[C@H]4CCC[NH2+]4)cc3)[nH+]c12 ZINC000165504274 454900768 /nfs/dbraw/zinc/90/07/68/454900768.db2.gz FRBSAZCZDYCAAK-QGZVFWFLSA-N 2 2 334.423 3.390 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000166236506 454909258 /nfs/dbraw/zinc/90/92/58/454909258.db2.gz YHJNDZMXIQOSRS-IBGZPJMESA-N 2 2 335.923 3.234 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)C1CC1 ZINC000166236506 454909262 /nfs/dbraw/zinc/90/92/62/454909262.db2.gz YHJNDZMXIQOSRS-IBGZPJMESA-N 2 2 335.923 3.234 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177904609 454918395 /nfs/dbraw/zinc/91/83/95/454918395.db2.gz YLRGEBWJAKLGAU-KBXCAEBGSA-N 2 2 336.439 3.439 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000177904609 454918398 /nfs/dbraw/zinc/91/83/98/454918398.db2.gz YLRGEBWJAKLGAU-KBXCAEBGSA-N 2 2 336.439 3.439 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000154733859 454924571 /nfs/dbraw/zinc/92/45/71/454924571.db2.gz QXTRFEGXONNCFI-SFHVURJKSA-N 2 2 326.488 3.278 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000154733859 454924572 /nfs/dbraw/zinc/92/45/72/454924572.db2.gz QXTRFEGXONNCFI-SFHVURJKSA-N 2 2 326.488 3.278 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338290 454970976 /nfs/dbraw/zinc/97/09/76/454970976.db2.gz IKULOVGYEJBOER-OAHLLOKOSA-N 2 2 345.409 3.186 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338290 454970978 /nfs/dbraw/zinc/97/09/78/454970978.db2.gz IKULOVGYEJBOER-OAHLLOKOSA-N 2 2 345.409 3.186 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338290 454970982 /nfs/dbraw/zinc/97/09/82/454970982.db2.gz IKULOVGYEJBOER-OAHLLOKOSA-N 2 2 345.409 3.186 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000151338290 454970984 /nfs/dbraw/zinc/97/09/84/454970984.db2.gz IKULOVGYEJBOER-OAHLLOKOSA-N 2 2 345.409 3.186 20 0 EGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151795131 455031378 /nfs/dbraw/zinc/03/13/78/455031378.db2.gz ZLOVPJPPTQOFTH-FGZHOGPDSA-N 2 2 338.495 3.017 20 0 EGADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151795131 455031379 /nfs/dbraw/zinc/03/13/79/455031379.db2.gz ZLOVPJPPTQOFTH-FGZHOGPDSA-N 2 2 338.495 3.017 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000179432660 455047434 /nfs/dbraw/zinc/04/74/34/455047434.db2.gz QWZAXOVXQMBEPK-OAQYLSRUSA-N 2 2 338.499 3.382 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000179432660 455047440 /nfs/dbraw/zinc/04/74/40/455047440.db2.gz QWZAXOVXQMBEPK-OAQYLSRUSA-N 2 2 338.499 3.382 20 0 EGADLP CN(Cc1cccc2[nH+]ccn21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000179766019 455076045 /nfs/dbraw/zinc/07/60/45/455076045.db2.gz AUEMPQSDFVREDN-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CN(Cc1cccc2[nH+]ccn21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000179766019 455076046 /nfs/dbraw/zinc/07/60/46/455076046.db2.gz AUEMPQSDFVREDN-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@H]1CCOC1 ZINC000179955759 455105627 /nfs/dbraw/zinc/10/56/27/455105627.db2.gz IBZDWKVSCYONEX-AEFFLSMTSA-N 2 2 331.504 3.302 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156359405 455109189 /nfs/dbraw/zinc/10/91/89/455109189.db2.gz ZIEHLLMPGTZIRA-DYVFJYSZSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156359405 455109194 /nfs/dbraw/zinc/10/91/94/455109194.db2.gz ZIEHLLMPGTZIRA-DYVFJYSZSA-N 2 2 345.830 3.215 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000118842585 455113680 /nfs/dbraw/zinc/11/36/80/455113680.db2.gz DPOTUBYGELZJJP-HNNXBMFYSA-N 2 2 337.895 3.169 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000118842585 455113685 /nfs/dbraw/zinc/11/36/85/455113685.db2.gz DPOTUBYGELZJJP-HNNXBMFYSA-N 2 2 337.895 3.169 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000118842585 455113688 /nfs/dbraw/zinc/11/36/88/455113688.db2.gz DPOTUBYGELZJJP-HNNXBMFYSA-N 2 2 337.895 3.169 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000118842585 455113693 /nfs/dbraw/zinc/11/36/93/455113693.db2.gz DPOTUBYGELZJJP-HNNXBMFYSA-N 2 2 337.895 3.169 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832914 455114408 /nfs/dbraw/zinc/11/44/08/455114408.db2.gz CZKKHVOBYNXOKV-OALUTQOASA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832914 455114411 /nfs/dbraw/zinc/11/44/11/455114411.db2.gz CZKKHVOBYNXOKV-OALUTQOASA-N 2 2 349.563 3.268 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156407134 455115268 /nfs/dbraw/zinc/11/52/68/455115268.db2.gz YVNYSMQFNZOUCG-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156407134 455115270 /nfs/dbraw/zinc/11/52/70/455115270.db2.gz YVNYSMQFNZOUCG-AEFFLSMTSA-N 2 2 339.439 3.179 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523809 455189899 /nfs/dbraw/zinc/18/98/99/455189899.db2.gz YUFFVSQVXLKSDE-AWEZNQCLSA-N 2 2 332.517 3.437 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523809 455189903 /nfs/dbraw/zinc/18/99/03/455189903.db2.gz YUFFVSQVXLKSDE-AWEZNQCLSA-N 2 2 332.517 3.437 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523809 455189907 /nfs/dbraw/zinc/18/99/07/455189907.db2.gz YUFFVSQVXLKSDE-AWEZNQCLSA-N 2 2 332.517 3.437 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180523809 455189910 /nfs/dbraw/zinc/18/99/10/455189910.db2.gz YUFFVSQVXLKSDE-AWEZNQCLSA-N 2 2 332.517 3.437 20 0 EGADLP Cc1cc(C[NH+](C)CCCCCC[N@@H+](C)Cc2cc(C)on2)no1 ZINC000264388561 455203279 /nfs/dbraw/zinc/20/32/79/455203279.db2.gz YREQTXZHGJSDGN-UHFFFAOYSA-N 2 2 334.464 3.404 20 0 EGADLP Cc1cc(C[NH+](C)CCCCCC[N@H+](C)Cc2cc(C)on2)no1 ZINC000264388561 455203284 /nfs/dbraw/zinc/20/32/84/455203284.db2.gz YREQTXZHGJSDGN-UHFFFAOYSA-N 2 2 334.464 3.404 20 0 EGADLP O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237688933 455208458 /nfs/dbraw/zinc/20/84/58/455208458.db2.gz MQMYXIRZMCPJBE-AWEZNQCLSA-N 2 2 345.830 3.399 20 0 EGADLP CC(C)OC1CC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000189538334 455216056 /nfs/dbraw/zinc/21/60/56/455216056.db2.gz IVMZMLBRDQJVII-KKXNLOMOSA-N 2 2 346.515 3.432 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181066895 455283051 /nfs/dbraw/zinc/28/30/51/455283051.db2.gz JESFXFXSMXWZBM-UHFFFAOYSA-N 2 2 328.460 3.241 20 0 EGADLP Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181066895 455283058 /nfs/dbraw/zinc/28/30/58/455283058.db2.gz JESFXFXSMXWZBM-UHFFFAOYSA-N 2 2 328.460 3.241 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181083631 455285218 /nfs/dbraw/zinc/28/52/18/455285218.db2.gz ZRRRWLLWFQZYCU-GFCCVEGCSA-N 2 2 338.814 3.025 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181083631 455285220 /nfs/dbraw/zinc/28/52/20/455285220.db2.gz ZRRRWLLWFQZYCU-GFCCVEGCSA-N 2 2 338.814 3.025 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430977 455296604 /nfs/dbraw/zinc/29/66/04/455296604.db2.gz NUQIIHDEPKKCAM-HZPDHXFCSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430977 455296607 /nfs/dbraw/zinc/29/66/07/455296607.db2.gz NUQIIHDEPKKCAM-HZPDHXFCSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430977 455296610 /nfs/dbraw/zinc/29/66/10/455296610.db2.gz NUQIIHDEPKKCAM-HZPDHXFCSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000245430977 455296611 /nfs/dbraw/zinc/29/66/11/455296611.db2.gz NUQIIHDEPKKCAM-HZPDHXFCSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438933 455299397 /nfs/dbraw/zinc/29/93/97/455299397.db2.gz SKNBKSWDQFLWIM-MOPGFXCFSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438933 455299399 /nfs/dbraw/zinc/29/93/99/455299399.db2.gz SKNBKSWDQFLWIM-MOPGFXCFSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438933 455299401 /nfs/dbraw/zinc/29/94/01/455299401.db2.gz SKNBKSWDQFLWIM-MOPGFXCFSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000245438933 455299402 /nfs/dbraw/zinc/29/94/02/455299402.db2.gz SKNBKSWDQFLWIM-MOPGFXCFSA-N 2 2 345.531 3.144 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccccn3)cc2)CC1 ZINC000158669500 455320205 /nfs/dbraw/zinc/32/02/05/455320205.db2.gz DVSHLCMSYCDQKW-SFHVURJKSA-N 2 2 338.499 3.070 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C12CCC2 ZINC000181978639 455408090 /nfs/dbraw/zinc/40/80/90/455408090.db2.gz FQZXTFLQVLGSRC-MSOLQXFVSA-N 2 2 327.472 3.443 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246440826 455490893 /nfs/dbraw/zinc/49/08/93/455490893.db2.gz NISPYSYNDAISMM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246440826 455490896 /nfs/dbraw/zinc/49/08/96/455490896.db2.gz NISPYSYNDAISMM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246440826 455490899 /nfs/dbraw/zinc/49/08/99/455490899.db2.gz NISPYSYNDAISMM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246440826 455490902 /nfs/dbraw/zinc/49/09/02/455490902.db2.gz NISPYSYNDAISMM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000192255047 455583139 /nfs/dbraw/zinc/58/31/39/455583139.db2.gz SJEGQWYYVXOAKN-UHFFFAOYSA-N 2 2 342.487 3.060 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114450 455593754 /nfs/dbraw/zinc/59/37/54/455593754.db2.gz KACDEQLHMBDLRS-OXQOHEQNSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114450 455593757 /nfs/dbraw/zinc/59/37/57/455593757.db2.gz KACDEQLHMBDLRS-OXQOHEQNSA-N 2 2 337.467 3.233 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247485088 455609634 /nfs/dbraw/zinc/60/96/34/455609634.db2.gz KMBFLRGBHXFCQK-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247485088 455609637 /nfs/dbraw/zinc/60/96/37/455609637.db2.gz KMBFLRGBHXFCQK-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185747948 455613440 /nfs/dbraw/zinc/61/34/40/455613440.db2.gz WUJSJCVRGNTMGC-CABCVRRESA-N 2 2 334.460 3.117 20 0 EGADLP COC(=O)c1oc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185747948 455613445 /nfs/dbraw/zinc/61/34/45/455613445.db2.gz WUJSJCVRGNTMGC-CABCVRRESA-N 2 2 334.460 3.117 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000185760323 455617477 /nfs/dbraw/zinc/61/74/77/455617477.db2.gz TVULASGFEOQCJN-DLBZAZTESA-N 2 2 326.488 3.385 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000185760323 455617481 /nfs/dbraw/zinc/61/74/81/455617481.db2.gz TVULASGFEOQCJN-DLBZAZTESA-N 2 2 326.488 3.385 20 0 EGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1OC(F)(F)F)Cn1cc[nH+]c1 ZINC000283973992 455618098 /nfs/dbraw/zinc/61/80/98/455618098.db2.gz NUPDSFIREOGTMA-NSHDSACASA-N 2 2 331.313 3.347 20 0 EGADLP C[C@@H]1CCC[C@](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)([NH+](C)C)C1 ZINC000247742235 455642863 /nfs/dbraw/zinc/64/28/63/455642863.db2.gz NTOYOJXZIIPYTA-GJYPPUQNSA-N 2 2 347.507 3.157 20 0 EGADLP CCOCC[C@@H](O)C[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000277789733 455666504 /nfs/dbraw/zinc/66/65/04/455666504.db2.gz SMUGVDCYDJNDIV-QGZVFWFLSA-N 2 2 345.487 3.023 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn21 ZINC000248002105 455669182 /nfs/dbraw/zinc/66/91/82/455669182.db2.gz KMXCRMIFFXZFRL-UZLBHIALSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn21 ZINC000248002105 455669187 /nfs/dbraw/zinc/66/91/87/455669187.db2.gz KMXCRMIFFXZFRL-UZLBHIALSA-N 2 2 349.482 3.038 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000248023667 455671307 /nfs/dbraw/zinc/67/13/07/455671307.db2.gz OKESQXOVOZQCIA-XMTFNYHQSA-N 2 2 334.504 3.276 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000248023667 455671312 /nfs/dbraw/zinc/67/13/12/455671312.db2.gz OKESQXOVOZQCIA-XMTFNYHQSA-N 2 2 334.504 3.276 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000248022312 455671995 /nfs/dbraw/zinc/67/19/95/455671995.db2.gz NYBGEESHADBESW-QLFBSQMISA-N 2 2 342.430 3.438 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1OC(F)F ZINC000248022312 455671999 /nfs/dbraw/zinc/67/19/99/455671999.db2.gz NYBGEESHADBESW-QLFBSQMISA-N 2 2 342.430 3.438 20 0 EGADLP COc1ccccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248065352 455677899 /nfs/dbraw/zinc/67/78/99/455677899.db2.gz ZJCXEOVLTJJFOR-FXAWDEMLSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248065352 455677905 /nfs/dbraw/zinc/67/79/05/455677905.db2.gz ZJCXEOVLTJJFOR-FXAWDEMLSA-N 2 2 339.483 3.133 20 0 EGADLP Clc1cccc(Cl)c1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000186027948 455678616 /nfs/dbraw/zinc/67/86/16/455678616.db2.gz GWZYXKJYNAKQNN-UHFFFAOYSA-N 2 2 325.243 3.012 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248126610 455683914 /nfs/dbraw/zinc/68/39/14/455683914.db2.gz NYSGKNFAKJMURS-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248126610 455683915 /nfs/dbraw/zinc/68/39/15/455683915.db2.gz NYSGKNFAKJMURS-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248126610 455683918 /nfs/dbraw/zinc/68/39/18/455683918.db2.gz NYSGKNFAKJMURS-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248126610 455683920 /nfs/dbraw/zinc/68/39/20/455683920.db2.gz NYSGKNFAKJMURS-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271568987 455687022 /nfs/dbraw/zinc/68/70/22/455687022.db2.gz VICQYSUOXBCVNP-DNVCBOLYSA-N 2 2 339.414 3.266 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000268485045 455694714 /nfs/dbraw/zinc/69/47/14/455694714.db2.gz BXQWOFZAWDUYTM-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000271622849 455703215 /nfs/dbraw/zinc/70/32/15/455703215.db2.gz FJHKWXMECCAHBM-OAHLLOKOSA-N 2 2 328.243 3.245 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000271622849 455703218 /nfs/dbraw/zinc/70/32/18/455703218.db2.gz FJHKWXMECCAHBM-OAHLLOKOSA-N 2 2 328.243 3.245 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268893217 455721147 /nfs/dbraw/zinc/72/11/47/455721147.db2.gz KAGISRHQSYLXIS-RYQLBKOJSA-N 2 2 340.471 3.170 20 0 EGADLP C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192940122 455723008 /nfs/dbraw/zinc/72/30/08/455723008.db2.gz ZGXFXEFTDKDIGD-QFBILLFUSA-N 2 2 329.444 3.109 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2OC(F)(F)F)CCCO1 ZINC000278032348 455739028 /nfs/dbraw/zinc/73/90/28/455739028.db2.gz WZLYMDISFPNJBU-AWEZNQCLSA-N 2 2 346.393 3.176 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2OC(F)(F)F)CCCO1 ZINC000278032348 455739031 /nfs/dbraw/zinc/73/90/31/455739031.db2.gz WZLYMDISFPNJBU-AWEZNQCLSA-N 2 2 346.393 3.176 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186322781 455743803 /nfs/dbraw/zinc/74/38/03/455743803.db2.gz VSIAKTJWLJDVFG-YJBOKZPZSA-N 2 2 344.528 3.393 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)[nH]1 ZINC000271758335 455749459 /nfs/dbraw/zinc/74/94/59/455749459.db2.gz XWCKSPJCMPHJME-CYBMUJFWSA-N 2 2 327.457 3.376 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)[nH]1 ZINC000271758335 455749462 /nfs/dbraw/zinc/74/94/62/455749462.db2.gz XWCKSPJCMPHJME-CYBMUJFWSA-N 2 2 327.457 3.376 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000271791705 455761752 /nfs/dbraw/zinc/76/17/52/455761752.db2.gz JBDBMRGETWDMQV-UXHICEINSA-N 2 2 344.499 3.330 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000269046120 455774997 /nfs/dbraw/zinc/77/49/97/455774997.db2.gz HMWQSQZSDZNSDL-MWRLGJARSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000269046120 455775002 /nfs/dbraw/zinc/77/50/02/455775002.db2.gz HMWQSQZSDZNSDL-MWRLGJARSA-N 2 2 336.479 3.287 20 0 EGADLP CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000271847666 455784875 /nfs/dbraw/zinc/78/48/75/455784875.db2.gz VEEPMDQYQZXRLN-GOSISDBHSA-N 2 2 332.488 3.015 20 0 EGADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278601 455786715 /nfs/dbraw/zinc/78/67/15/455786715.db2.gz AKNOBVDXCSMBQV-UXHICEINSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250278601 455786716 /nfs/dbraw/zinc/78/67/16/455786716.db2.gz AKNOBVDXCSMBQV-UXHICEINSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000269102228 455790355 /nfs/dbraw/zinc/79/03/55/455790355.db2.gz UHBKICWUTVZWIY-KRWDZBQOSA-N 2 2 340.471 3.071 20 0 EGADLP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000186615375 455806546 /nfs/dbraw/zinc/80/65/46/455806546.db2.gz AHYXCAFYWWHRGC-UHFFFAOYSA-N 2 2 344.421 3.420 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000285571732 455872654 /nfs/dbraw/zinc/87/26/54/455872654.db2.gz GRBHOZZLDNCQJF-LSBZLQRGSA-N 2 2 340.471 3.216 20 0 EGADLP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000285611726 455882074 /nfs/dbraw/zinc/88/20/74/455882074.db2.gz KHJKHKQEQDDCSA-HBMCJLEFSA-N 3 2 338.499 3.164 20 0 EGADLP c1cn(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000285611726 455882077 /nfs/dbraw/zinc/88/20/77/455882077.db2.gz KHJKHKQEQDDCSA-HBMCJLEFSA-N 3 2 338.499 3.164 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000272272300 455898133 /nfs/dbraw/zinc/89/81/33/455898133.db2.gz NVYAXRCWCKNNHM-GXTWGEPZSA-N 2 2 345.830 3.337 20 0 EGADLP CCC(CC)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCC1 ZINC000194977362 455908476 /nfs/dbraw/zinc/90/84/76/455908476.db2.gz NMCIZVLOGBLATE-RBUKOAKNSA-N 2 2 341.503 3.384 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)c1ccco1 ZINC000195011273 455911980 /nfs/dbraw/zinc/91/19/80/455911980.db2.gz ZPFLVGUCDBWFPU-FUHWJXTLSA-N 2 2 339.443 3.160 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626930 455916118 /nfs/dbraw/zinc/91/61/18/455916118.db2.gz CPEVYYLJYHHHDU-XLIONFOSSA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626930 455916121 /nfs/dbraw/zinc/91/61/21/455916121.db2.gz CPEVYYLJYHHHDU-XLIONFOSSA-N 2 2 349.494 3.090 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261636751 455918966 /nfs/dbraw/zinc/91/89/66/455918966.db2.gz DGAKCIVPEAEJTB-HXUWFJFHSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261636751 455918971 /nfs/dbraw/zinc/91/89/71/455918971.db2.gz DGAKCIVPEAEJTB-HXUWFJFHSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270534940 455978195 /nfs/dbraw/zinc/97/81/95/455978195.db2.gz PNVOICSIFJBHSQ-ZDUSSCGKSA-N 2 2 349.276 3.066 20 0 EGADLP Cc1nc(C[NH+]2CCC(CNc3[nH]c4ccccc4[nH+]3)CC2)oc1C ZINC000270556189 455982660 /nfs/dbraw/zinc/98/26/60/455982660.db2.gz HVMCARPUQXGHBU-UHFFFAOYSA-N 2 2 339.443 3.492 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272541810 455987175 /nfs/dbraw/zinc/98/71/75/455987175.db2.gz KPBHTYVXDADZNS-CYBMUJFWSA-N 2 2 330.394 3.330 20 0 EGADLP Fc1cc(Cl)ccc1N1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000623755376 460706724 /nfs/dbraw/zinc/70/67/24/460706724.db2.gz BWPAVOUQIPHHQF-AWEZNQCLSA-N 2 2 344.821 3.495 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272676138 456036265 /nfs/dbraw/zinc/03/62/65/456036265.db2.gz UOZGYQGPHGVZGY-JXFKEZNVSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272676138 456036269 /nfs/dbraw/zinc/03/62/69/456036269.db2.gz UOZGYQGPHGVZGY-JXFKEZNVSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272676138 456036271 /nfs/dbraw/zinc/03/62/71/456036271.db2.gz UOZGYQGPHGVZGY-JXFKEZNVSA-N 2 2 342.462 3.154 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272676138 456036274 /nfs/dbraw/zinc/03/62/74/456036274.db2.gz UOZGYQGPHGVZGY-JXFKEZNVSA-N 2 2 342.462 3.154 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695366 456042354 /nfs/dbraw/zinc/04/23/54/456042354.db2.gz XRXVFIWTOOUBFX-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695366 456042357 /nfs/dbraw/zinc/04/23/57/456042357.db2.gz XRXVFIWTOOUBFX-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695366 456042361 /nfs/dbraw/zinc/04/23/61/456042361.db2.gz XRXVFIWTOOUBFX-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695366 456042366 /nfs/dbraw/zinc/04/23/66/456042366.db2.gz XRXVFIWTOOUBFX-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)c1c[nH]c2ncccc12 ZINC000271061963 456117050 /nfs/dbraw/zinc/11/70/50/456117050.db2.gz KVQAFKYHZITZGC-XJKSGUPXSA-N 2 2 330.476 3.090 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cscn1 ZINC000271135074 456136617 /nfs/dbraw/zinc/13/66/17/456136617.db2.gz MURBTXCBGQSNOF-MRXNPFEDSA-N 2 2 330.501 3.006 20 0 EGADLP CSc1cc2c(cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OCCO2 ZINC000271191765 456162892 /nfs/dbraw/zinc/16/28/92/456162892.db2.gz MEIUPEHTQOCGQD-DZGCQCFKSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)OCCO2 ZINC000271191765 456162894 /nfs/dbraw/zinc/16/28/94/456162894.db2.gz MEIUPEHTQOCGQD-DZGCQCFKSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OCCO2 ZINC000271191765 456162902 /nfs/dbraw/zinc/16/29/02/456162902.db2.gz MEIUPEHTQOCGQD-DZGCQCFKSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OCCO2 ZINC000271191765 456162908 /nfs/dbraw/zinc/16/29/08/456162908.db2.gz MEIUPEHTQOCGQD-DZGCQCFKSA-N 2 2 336.501 3.094 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000297296914 456175623 /nfs/dbraw/zinc/17/56/23/456175623.db2.gz AYVFSRABTRXDSO-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000297296914 456175629 /nfs/dbraw/zinc/17/56/29/456175629.db2.gz AYVFSRABTRXDSO-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000297296914 456175637 /nfs/dbraw/zinc/17/56/37/456175637.db2.gz AYVFSRABTRXDSO-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000297296914 456175640 /nfs/dbraw/zinc/17/56/40/456175640.db2.gz AYVFSRABTRXDSO-CVEARBPZSA-N 2 2 344.528 3.498 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1O ZINC000289924803 456184300 /nfs/dbraw/zinc/18/43/00/456184300.db2.gz VHRYGZLHPLLMQW-HNNXBMFYSA-N 2 2 341.455 3.111 20 0 EGADLP COc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1OC(F)F ZINC000281317781 456198990 /nfs/dbraw/zinc/19/89/90/456198990.db2.gz QXFKZIVSEONSDI-UHFFFAOYSA-N 2 2 328.403 3.214 20 0 EGADLP COc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1OC(F)F ZINC000281317781 456198996 /nfs/dbraw/zinc/19/89/96/456198996.db2.gz QXFKZIVSEONSDI-UHFFFAOYSA-N 2 2 328.403 3.214 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000297384136 456207022 /nfs/dbraw/zinc/20/70/22/456207022.db2.gz ISAZDQDEETWOCY-SWLSCSKDSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000297384136 456207029 /nfs/dbraw/zinc/20/70/29/456207029.db2.gz ISAZDQDEETWOCY-SWLSCSKDSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000297384136 456207035 /nfs/dbraw/zinc/20/70/35/456207035.db2.gz ISAZDQDEETWOCY-SWLSCSKDSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000297384136 456207041 /nfs/dbraw/zinc/20/70/41/456207041.db2.gz ISAZDQDEETWOCY-SWLSCSKDSA-N 2 2 332.517 3.354 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263753631 456213949 /nfs/dbraw/zinc/21/39/49/456213949.db2.gz SYBZMUOOQKWRDX-UHFFFAOYSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263753631 456213954 /nfs/dbraw/zinc/21/39/54/456213954.db2.gz SYBZMUOOQKWRDX-UHFFFAOYSA-N 2 2 331.504 3.301 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000281409992 456226836 /nfs/dbraw/zinc/22/68/36/456226836.db2.gz RAYZJUQRRBTROK-UHFFFAOYSA-N 2 2 343.515 3.230 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000281409992 456226844 /nfs/dbraw/zinc/22/68/44/456226844.db2.gz RAYZJUQRRBTROK-UHFFFAOYSA-N 2 2 343.515 3.230 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2[nH+]1 ZINC000620649941 460720718 /nfs/dbraw/zinc/72/07/18/460720718.db2.gz HXKDFQIXRBTODE-HNNXBMFYSA-N 2 2 326.444 3.236 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2[nH+]1 ZINC000620649941 460720725 /nfs/dbraw/zinc/72/07/25/460720725.db2.gz HXKDFQIXRBTODE-HNNXBMFYSA-N 2 2 326.444 3.236 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2[nH+]1 ZINC000620651088 460721486 /nfs/dbraw/zinc/72/14/86/460721486.db2.gz JKSQCONTHIBQNQ-KRWDZBQOSA-N 2 2 326.444 3.378 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2[nH+]1 ZINC000620651088 460721488 /nfs/dbraw/zinc/72/14/88/460721488.db2.gz JKSQCONTHIBQNQ-KRWDZBQOSA-N 2 2 326.444 3.378 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@@H]1SC ZINC000297609221 456262393 /nfs/dbraw/zinc/26/23/93/456262393.db2.gz KNASSGQHAVWEGX-KYJSFNMBSA-N 2 2 333.501 3.005 20 0 EGADLP Cc1nc(NCC2([NH+]3CCCCC3)CCOCC2)c2c([nH+]1)CCCC2 ZINC000302050119 456275693 /nfs/dbraw/zinc/27/56/93/456275693.db2.gz NLHYGKOVWYYOHS-UHFFFAOYSA-N 2 2 344.503 3.111 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000352759666 456281700 /nfs/dbraw/zinc/28/17/00/456281700.db2.gz LFNWLMNRPCEMIN-MSOLQXFVSA-N 2 2 345.512 3.432 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)Cc2ccccc2N2CCCC2)s1 ZINC000347653796 456282830 /nfs/dbraw/zinc/28/28/30/456282830.db2.gz PAZYCWBRLLVWTJ-UHFFFAOYSA-N 2 2 344.528 3.437 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)Cc2ccccc2N2CCCC2)s1 ZINC000347653796 456282839 /nfs/dbraw/zinc/28/28/39/456282839.db2.gz PAZYCWBRLLVWTJ-UHFFFAOYSA-N 2 2 344.528 3.437 20 0 EGADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352777424 456296437 /nfs/dbraw/zinc/29/64/37/456296437.db2.gz BJJMWPXDJBVHCV-UHFFFAOYSA-N 3 2 346.544 3.336 20 0 EGADLP O[C@@H]([C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198827 456309218 /nfs/dbraw/zinc/30/92/18/456309218.db2.gz CKUWBEWKJCFDEL-HOTGVXAUSA-N 2 2 339.361 3.150 20 0 EGADLP O[C@@H]([C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198827 456309221 /nfs/dbraw/zinc/30/92/21/456309221.db2.gz CKUWBEWKJCFDEL-HOTGVXAUSA-N 2 2 339.361 3.150 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc12 ZINC000352794446 456315512 /nfs/dbraw/zinc/31/55/12/456315512.db2.gz AZSILFXCIFTCRK-KRWDZBQOSA-N 2 2 341.503 3.210 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc12 ZINC000352794446 456315517 /nfs/dbraw/zinc/31/55/17/456315517.db2.gz AZSILFXCIFTCRK-KRWDZBQOSA-N 2 2 341.503 3.210 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc12 ZINC000352800815 456319879 /nfs/dbraw/zinc/31/98/79/456319879.db2.gz QAXTXNLRVMYPSW-WBVHZDCISA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc12 ZINC000352800815 456319886 /nfs/dbraw/zinc/31/98/86/456319886.db2.gz QAXTXNLRVMYPSW-WBVHZDCISA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc12 ZINC000352800815 456319892 /nfs/dbraw/zinc/31/98/92/456319892.db2.gz QAXTXNLRVMYPSW-WBVHZDCISA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc12 ZINC000352800815 456319901 /nfs/dbraw/zinc/31/99/01/456319901.db2.gz QAXTXNLRVMYPSW-WBVHZDCISA-N 2 2 341.503 3.353 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000290436559 456329139 /nfs/dbraw/zinc/32/91/39/456329139.db2.gz RYACXMCQMACYRR-LSDHHAIUSA-N 2 2 333.501 3.197 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000290436559 456329146 /nfs/dbraw/zinc/32/91/46/456329146.db2.gz RYACXMCQMACYRR-LSDHHAIUSA-N 2 2 333.501 3.197 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000347787687 456367944 /nfs/dbraw/zinc/36/79/44/456367944.db2.gz XAUIKSULDMZFGB-LPHOPBHVSA-N 2 2 340.467 3.401 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000347787687 456367947 /nfs/dbraw/zinc/36/79/47/456367947.db2.gz XAUIKSULDMZFGB-LPHOPBHVSA-N 2 2 340.467 3.401 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000337556800 456379429 /nfs/dbraw/zinc/37/94/29/456379429.db2.gz RVTCGVLZRVYRLY-NILFDRSVSA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000337556800 456379432 /nfs/dbraw/zinc/37/94/32/456379432.db2.gz RVTCGVLZRVYRLY-NILFDRSVSA-N 2 2 339.277 3.203 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)c[nH+]1 ZINC000337559037 456380771 /nfs/dbraw/zinc/38/07/71/456380771.db2.gz YYVXADKHZPZLAK-SFHVURJKSA-N 2 2 339.483 3.474 20 0 EGADLP Cc1ccc(CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)c[nH+]1 ZINC000337559037 456380776 /nfs/dbraw/zinc/38/07/76/456380776.db2.gz YYVXADKHZPZLAK-SFHVURJKSA-N 2 2 339.483 3.474 20 0 EGADLP COc1cccc2c(NCC(C)(C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000302722439 456383793 /nfs/dbraw/zinc/38/37/93/456383793.db2.gz PXYNBEQBPZOLFS-UHFFFAOYSA-N 2 2 329.444 3.075 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](Cc2ccccn2)CC1 ZINC000302736604 456387072 /nfs/dbraw/zinc/38/70/72/456387072.db2.gz ZTLQYVYGXCPJGT-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000352915523 456410834 /nfs/dbraw/zinc/41/08/34/456410834.db2.gz PNFUYVHZUBPVIW-XNMUZJSGSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000352915523 456410841 /nfs/dbraw/zinc/41/08/41/456410841.db2.gz PNFUYVHZUBPVIW-XNMUZJSGSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000352915523 456410850 /nfs/dbraw/zinc/41/08/50/456410850.db2.gz PNFUYVHZUBPVIW-XNMUZJSGSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000352915523 456410860 /nfs/dbraw/zinc/41/08/60/456410860.db2.gz PNFUYVHZUBPVIW-XNMUZJSGSA-N 2 2 343.515 3.201 20 0 EGADLP COCC[NH+]1CCC(Nc2cc(COC)[nH+]c3ccc(F)cc23)CC1 ZINC000290705643 456410862 /nfs/dbraw/zinc/41/08/62/456410862.db2.gz WQMHBSWFCRAKRG-UHFFFAOYSA-N 2 2 347.434 3.043 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000347862869 456411886 /nfs/dbraw/zinc/41/18/86/456411886.db2.gz WVTCSNXGKXQEBD-UHFFFAOYSA-N 3 2 333.520 3.145 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000302841193 456415436 /nfs/dbraw/zinc/41/54/36/456415436.db2.gz LYOPUELOOYSKMQ-CQSZACIVSA-N 2 2 331.851 3.035 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](CNc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000302841193 456415440 /nfs/dbraw/zinc/41/54/40/456415440.db2.gz LYOPUELOOYSKMQ-CQSZACIVSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511148 456465089 /nfs/dbraw/zinc/46/50/89/456465089.db2.gz BLEFVYNVOVSKLJ-ICSRJNTNSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511148 456465091 /nfs/dbraw/zinc/46/50/91/456465091.db2.gz BLEFVYNVOVSKLJ-ICSRJNTNSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511148 456465096 /nfs/dbraw/zinc/46/50/96/456465096.db2.gz BLEFVYNVOVSKLJ-ICSRJNTNSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511148 456465097 /nfs/dbraw/zinc/46/50/97/456465097.db2.gz BLEFVYNVOVSKLJ-ICSRJNTNSA-N 2 2 349.563 3.269 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000353083331 456478464 /nfs/dbraw/zinc/47/84/64/456478464.db2.gz RANKQWQVCTXFGZ-VQIMIIECSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000353083331 456478472 /nfs/dbraw/zinc/47/84/72/456478472.db2.gz RANKQWQVCTXFGZ-VQIMIIECSA-N 2 2 325.456 3.058 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000298560856 456490224 /nfs/dbraw/zinc/49/02/24/456490224.db2.gz VYISWKVHQLPRIL-UHFFFAOYSA-N 2 2 343.471 3.343 20 0 EGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340504941 456497393 /nfs/dbraw/zinc/49/73/93/456497393.db2.gz JNISMWSWRCGYRN-WMLDXEAASA-N 2 2 344.421 3.116 20 0 EGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340504941 456497397 /nfs/dbraw/zinc/49/73/97/456497397.db2.gz JNISMWSWRCGYRN-WMLDXEAASA-N 2 2 344.421 3.116 20 0 EGADLP C[C@@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613067 456500491 /nfs/dbraw/zinc/50/04/91/456500491.db2.gz OJFQIIMFZZLPFW-DFGXFYAUSA-N 2 2 340.471 3.219 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[N@H+](C)Cc1ccccc1 ZINC000348127472 456502795 /nfs/dbraw/zinc/50/27/95/456502795.db2.gz SFPUZHFEQRFTRX-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[N@@H+](C)Cc1ccccc1 ZINC000348127472 456502800 /nfs/dbraw/zinc/50/28/00/456502800.db2.gz SFPUZHFEQRFTRX-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518321 456506256 /nfs/dbraw/zinc/50/62/56/456506256.db2.gz IDFQATMZQRGQTO-IHPCNDPISA-N 2 2 326.488 3.160 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518321 456506262 /nfs/dbraw/zinc/50/62/62/456506262.db2.gz IDFQATMZQRGQTO-IHPCNDPISA-N 2 2 326.488 3.160 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000340541060 456520699 /nfs/dbraw/zinc/52/06/99/456520699.db2.gz IJRGUBHHVFOXPX-IXDOHACOSA-N 2 2 343.471 3.443 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000340541060 456520705 /nfs/dbraw/zinc/52/07/05/456520705.db2.gz IJRGUBHHVFOXPX-IXDOHACOSA-N 2 2 343.471 3.443 20 0 EGADLP COc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000291083941 456522173 /nfs/dbraw/zinc/52/21/73/456522173.db2.gz GXSMJTOOJQYFHV-UHFFFAOYSA-N 2 2 348.384 3.383 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000305163439 456532610 /nfs/dbraw/zinc/53/26/10/456532610.db2.gz XQXGOOPFGOCNLY-LZWOXQAQSA-N 2 2 340.558 3.356 20 0 EGADLP O[C@@H](C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)C(F)(F)F ZINC000305179973 456534435 /nfs/dbraw/zinc/53/44/35/456534435.db2.gz WAUXTJDMOIQMOE-INIZCTEOSA-N 2 2 339.361 3.008 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000348220730 456543982 /nfs/dbraw/zinc/54/39/82/456543982.db2.gz CFTUESNVJAOBNI-HOTGVXAUSA-N 2 2 330.394 3.396 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCCC1 ZINC000340582225 456546006 /nfs/dbraw/zinc/54/60/06/456546006.db2.gz FGWNPRHOYQIJNT-DYVFJYSZSA-N 2 2 343.298 3.417 20 0 EGADLP OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000291154389 456546948 /nfs/dbraw/zinc/54/69/48/456546948.db2.gz BQASOBAZLHLKAI-NRFANRHFSA-N 2 2 335.451 3.152 20 0 EGADLP OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000291154389 456546953 /nfs/dbraw/zinc/54/69/53/456546953.db2.gz BQASOBAZLHLKAI-NRFANRHFSA-N 2 2 335.451 3.152 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000348243342 456564557 /nfs/dbraw/zinc/56/45/57/456564557.db2.gz LILBSCKCKACLCV-CBPXPLCBSA-N 2 2 336.479 3.015 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000348243342 456564560 /nfs/dbraw/zinc/56/45/60/456564560.db2.gz LILBSCKCKACLCV-CBPXPLCBSA-N 2 2 336.479 3.015 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000276744624 456567787 /nfs/dbraw/zinc/56/77/87/456567787.db2.gz JPYFQUMKAOIINC-UHFFFAOYSA-N 2 2 330.520 3.377 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000348272189 456588666 /nfs/dbraw/zinc/58/86/66/456588666.db2.gz QOBRPRRFXVWOTJ-CXAGYDPISA-N 2 2 348.397 3.073 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000348272189 456588670 /nfs/dbraw/zinc/58/86/70/456588670.db2.gz QOBRPRRFXVWOTJ-CXAGYDPISA-N 2 2 348.397 3.073 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)CCO1 ZINC000340637994 456590845 /nfs/dbraw/zinc/59/08/45/456590845.db2.gz LMJFLZRTYQMIBR-OAHLLOKOSA-N 2 2 343.446 3.059 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)CCO1 ZINC000340637994 456590849 /nfs/dbraw/zinc/59/08/49/456590849.db2.gz LMJFLZRTYQMIBR-OAHLLOKOSA-N 2 2 343.446 3.059 20 0 EGADLP Cc1cnc(C[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348304517 456608048 /nfs/dbraw/zinc/60/80/48/456608048.db2.gz TXQCDLQTZUXVEU-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1cnc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348304517 456608054 /nfs/dbraw/zinc/60/80/54/456608054.db2.gz TXQCDLQTZUXVEU-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2cnn(C)c2)c1 ZINC000282734595 456608680 /nfs/dbraw/zinc/60/86/80/456608680.db2.gz DXOCZMVVUIVEMS-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2cnn(C)c2)c1 ZINC000282734595 456608686 /nfs/dbraw/zinc/60/86/86/456608686.db2.gz DXOCZMVVUIVEMS-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348332883 456631277 /nfs/dbraw/zinc/63/12/77/456631277.db2.gz WNKLBKFXHTUSIR-MISYRCLQSA-N 2 2 349.478 3.077 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000343482408 456650350 /nfs/dbraw/zinc/65/03/50/456650350.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 3 2 329.532 3.491 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000343482408 456650355 /nfs/dbraw/zinc/65/03/55/456650355.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000343482408 456650359 /nfs/dbraw/zinc/65/03/59/456650359.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000343482408 456650366 /nfs/dbraw/zinc/65/03/66/456650366.db2.gz UUZKGNMXDTYGBC-WAOWUJCRSA-N 3 2 329.532 3.491 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651085 /nfs/dbraw/zinc/65/10/85/456651085.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 3 2 329.532 3.491 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651089 /nfs/dbraw/zinc/65/10/89/456651089.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651097 /nfs/dbraw/zinc/65/10/97/456651097.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000343482406 456651103 /nfs/dbraw/zinc/65/11/03/456651103.db2.gz UUZKGNMXDTYGBC-BBTUJRGHSA-N 3 2 329.532 3.491 20 0 EGADLP COc1ccsc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277082792 456675155 /nfs/dbraw/zinc/67/51/55/456675155.db2.gz ULRIUXWDRHBMON-KRWDZBQOSA-N 2 2 346.496 3.137 20 0 EGADLP COc1ccsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277082792 456675159 /nfs/dbraw/zinc/67/51/59/456675159.db2.gz ULRIUXWDRHBMON-KRWDZBQOSA-N 2 2 346.496 3.137 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)CC2 ZINC000338167870 456680180 /nfs/dbraw/zinc/68/01/80/456680180.db2.gz CQTMAZZIRJATCX-SFHVURJKSA-N 2 2 346.515 3.032 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000353425161 456690879 /nfs/dbraw/zinc/69/08/79/456690879.db2.gz JEMGYLVIVSCDBM-AEFFLSMTSA-N 2 2 327.472 3.242 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2nccc3ccccc32)C1 ZINC000353425161 456690887 /nfs/dbraw/zinc/69/08/87/456690887.db2.gz JEMGYLVIVSCDBM-AEFFLSMTSA-N 2 2 327.472 3.242 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000338186192 456690851 /nfs/dbraw/zinc/69/08/51/456690851.db2.gz NDIQMUFLDFTMCG-AEFFLSMTSA-N 2 2 325.456 3.225 20 0 EGADLP CC[N@H+](CCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C(C)C ZINC000338193130 456696502 /nfs/dbraw/zinc/69/65/02/456696502.db2.gz VVXLSKPWSXWIMV-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP CC[N@@H+](CCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C(C)C ZINC000338193130 456696510 /nfs/dbraw/zinc/69/65/10/456696510.db2.gz VVXLSKPWSXWIMV-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348523818 456734682 /nfs/dbraw/zinc/73/46/82/456734682.db2.gz AUYDKKLLZOZRGH-CRAIPNDOSA-N 2 2 340.471 3.029 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348523818 456734690 /nfs/dbraw/zinc/73/46/90/456734690.db2.gz AUYDKKLLZOZRGH-CRAIPNDOSA-N 2 2 340.471 3.029 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000277234554 456737005 /nfs/dbraw/zinc/73/70/05/456737005.db2.gz PARNQDSHEZRNSK-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000277234554 456737010 /nfs/dbraw/zinc/73/70/10/456737010.db2.gz PARNQDSHEZRNSK-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP CC[C@@H](C)c1nnc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)[nH]1 ZINC000277249909 456744205 /nfs/dbraw/zinc/74/42/05/456744205.db2.gz NVYPWSJQCGMEKE-KGLIPLIRSA-N 2 2 328.464 3.033 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000353543289 456746550 /nfs/dbraw/zinc/74/65/50/456746550.db2.gz MZPPNBQOMQSMCU-UHFFFAOYSA-N 2 2 344.455 3.047 20 0 EGADLP C[NH+](CCC[N@H+](C)CCc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000353543289 456746556 /nfs/dbraw/zinc/74/65/56/456746556.db2.gz MZPPNBQOMQSMCU-UHFFFAOYSA-N 2 2 344.455 3.047 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1ccc2c(c1)OCCO2 ZINC000353543289 456746562 /nfs/dbraw/zinc/74/65/62/456746562.db2.gz MZPPNBQOMQSMCU-UHFFFAOYSA-N 2 2 344.455 3.047 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1ccc2c(c1)OCCO2 ZINC000353543289 456746570 /nfs/dbraw/zinc/74/65/70/456746570.db2.gz MZPPNBQOMQSMCU-UHFFFAOYSA-N 2 2 344.455 3.047 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000353548680 456751340 /nfs/dbraw/zinc/75/13/40/456751340.db2.gz MWIOERLXXOIQBA-UYAOXDASSA-N 2 2 345.531 3.479 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000353548680 456751347 /nfs/dbraw/zinc/75/13/47/456751347.db2.gz MWIOERLXXOIQBA-UYAOXDASSA-N 2 2 345.531 3.479 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348541345 456751416 /nfs/dbraw/zinc/75/14/16/456751416.db2.gz VXZZZGZYQQWQDL-KBPBESRZSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348541345 456751423 /nfs/dbraw/zinc/75/14/23/456751423.db2.gz VXZZZGZYQQWQDL-KBPBESRZSA-N 2 2 344.484 3.338 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3cc(C)[nH+]c(C)n3)c(C)c2)CC1 ZINC000301061372 456787004 /nfs/dbraw/zinc/78/70/04/456787004.db2.gz FMZWNXBYGYCKHL-UHFFFAOYSA-N 2 2 325.460 3.287 20 0 EGADLP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CS1 ZINC000277390671 456806780 /nfs/dbraw/zinc/80/67/80/456806780.db2.gz YEJGLDLSKGHERX-RBUKOAKNSA-N 2 2 334.529 3.139 20 0 EGADLP CC[C@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000353628074 456813407 /nfs/dbraw/zinc/81/34/07/456813407.db2.gz GUWBZWWOLIHKIM-IBGZPJMESA-N 2 2 325.456 3.187 20 0 EGADLP CC[C@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000353628074 456813409 /nfs/dbraw/zinc/81/34/09/456813409.db2.gz GUWBZWWOLIHKIM-IBGZPJMESA-N 2 2 325.456 3.187 20 0 EGADLP CC(=O)N1CCC([NH2+]C[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)CC1 ZINC000348695391 456818617 /nfs/dbraw/zinc/81/86/17/456818617.db2.gz JKLXLUSKFDRAIX-OAQYLSRUSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C[NH2+]CC2(OC)CCOCC2)[NH+](CC)CC)cc1 ZINC000353667070 456843332 /nfs/dbraw/zinc/84/33/32/456843332.db2.gz RWMRAJRUVTUICJ-HXUWFJFHSA-N 2 2 348.531 3.417 20 0 EGADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc[nH+]1 ZINC000348809764 456865024 /nfs/dbraw/zinc/86/50/24/456865024.db2.gz LPUPKMGQFUUDLF-QGZVFWFLSA-N 2 2 337.467 3.094 20 0 EGADLP C[C@H]1CN(Cc2cccc(F)c2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000339061662 456921409 /nfs/dbraw/zinc/92/14/09/456921409.db2.gz NTIMLSDUAJRDKA-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2cccc(F)c2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000339061662 456921414 /nfs/dbraw/zinc/92/14/14/456921414.db2.gz NTIMLSDUAJRDKA-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329761753 456937817 /nfs/dbraw/zinc/93/78/17/456937817.db2.gz RWCRCCSLWBYQJS-LLVKDONJSA-N 2 2 329.429 3.462 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000349316261 456939437 /nfs/dbraw/zinc/93/94/37/456939437.db2.gz WIWOYJAOEPDMBL-RZQQEMMASA-N 2 2 327.472 3.302 20 0 EGADLP CC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@H]1CCC[NH2+]CC1 ZINC000345193640 456961955 /nfs/dbraw/zinc/96/19/55/456961955.db2.gz XBRNAFNUZVTNEW-INIZCTEOSA-N 2 2 334.414 3.115 20 0 EGADLP CC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@H]1CCC[NH2+]CC1 ZINC000345193640 456961956 /nfs/dbraw/zinc/96/19/56/456961956.db2.gz XBRNAFNUZVTNEW-INIZCTEOSA-N 2 2 334.414 3.115 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000353930973 456970346 /nfs/dbraw/zinc/97/03/46/456970346.db2.gz PIQPJLYLTOSVBW-UHFFFAOYSA-N 2 2 332.488 3.002 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000353930973 456970349 /nfs/dbraw/zinc/97/03/49/456970349.db2.gz PIQPJLYLTOSVBW-UHFFFAOYSA-N 2 2 332.488 3.002 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccnn1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000353935998 456972341 /nfs/dbraw/zinc/97/23/41/456972341.db2.gz YUTUQFSPJLOAFT-IBGZPJMESA-N 2 2 326.488 3.391 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccnn1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000353935998 456972347 /nfs/dbraw/zinc/97/23/47/456972347.db2.gz YUTUQFSPJLOAFT-IBGZPJMESA-N 2 2 326.488 3.391 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166395 456973075 /nfs/dbraw/zinc/97/30/75/456973075.db2.gz OPUNVHFFHFIELS-GOEBONIOSA-N 2 2 338.293 3.465 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166395 456973077 /nfs/dbraw/zinc/97/30/77/456973077.db2.gz OPUNVHFFHFIELS-GOEBONIOSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166395 456973078 /nfs/dbraw/zinc/97/30/78/456973078.db2.gz OPUNVHFFHFIELS-GOEBONIOSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166395 456973079 /nfs/dbraw/zinc/97/30/79/456973079.db2.gz OPUNVHFFHFIELS-GOEBONIOSA-N 2 2 338.293 3.465 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000339181198 456980599 /nfs/dbraw/zinc/98/05/99/456980599.db2.gz HLIGEKLZMSQPOP-IRXDYDNUSA-N 2 2 347.503 3.254 20 0 EGADLP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888332 456988295 /nfs/dbraw/zinc/98/82/95/456988295.db2.gz IYXUSCIYIHIFEW-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888332 456988297 /nfs/dbraw/zinc/98/82/97/456988297.db2.gz IYXUSCIYIHIFEW-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341888332 456988299 /nfs/dbraw/zinc/98/82/99/456988299.db2.gz IYXUSCIYIHIFEW-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341888332 456988301 /nfs/dbraw/zinc/98/83/01/456988301.db2.gz IYXUSCIYIHIFEW-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP Clc1cnc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000349565962 456988530 /nfs/dbraw/zinc/98/85/30/456988530.db2.gz QGBLNBJTXXAFCU-UHFFFAOYSA-N 2 2 332.860 3.374 20 0 EGADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000354004668 457001459 /nfs/dbraw/zinc/00/14/59/457001459.db2.gz CEWRIJBLPKJDNH-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000354004668 457001464 /nfs/dbraw/zinc/00/14/64/457001464.db2.gz CEWRIJBLPKJDNH-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)cc2n1C ZINC000356473323 457007968 /nfs/dbraw/zinc/00/79/68/457007968.db2.gz CTJXQTJOZUXQBA-QGZVFWFLSA-N 2 2 342.487 3.122 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3CC(C)C)cc2n1C ZINC000356473323 457007972 /nfs/dbraw/zinc/00/79/72/457007972.db2.gz CTJXQTJOZUXQBA-QGZVFWFLSA-N 2 2 342.487 3.122 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cs1 ZINC000346581879 457058604 /nfs/dbraw/zinc/05/86/04/457058604.db2.gz VIOOKLMDPCHBIC-XKQJLSEDSA-N 2 2 337.533 3.295 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356577495 457065210 /nfs/dbraw/zinc/06/52/10/457065210.db2.gz NGNDZKNENWXINZ-UFYCRDLUSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356577495 457065217 /nfs/dbraw/zinc/06/52/17/457065217.db2.gz NGNDZKNENWXINZ-UFYCRDLUSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356577495 457065223 /nfs/dbraw/zinc/06/52/23/457065223.db2.gz NGNDZKNENWXINZ-UFYCRDLUSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356577495 457065228 /nfs/dbraw/zinc/06/52/28/457065228.db2.gz NGNDZKNENWXINZ-UFYCRDLUSA-N 2 2 349.563 3.220 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579041 457066033 /nfs/dbraw/zinc/06/60/33/457066033.db2.gz PSINDPBCWFKCIV-DLBZAZTESA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579041 457066035 /nfs/dbraw/zinc/06/60/35/457066035.db2.gz PSINDPBCWFKCIV-DLBZAZTESA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579041 457066036 /nfs/dbraw/zinc/06/60/36/457066036.db2.gz PSINDPBCWFKCIV-DLBZAZTESA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579041 457066037 /nfs/dbraw/zinc/06/60/37/457066037.db2.gz PSINDPBCWFKCIV-DLBZAZTESA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000354109255 457068197 /nfs/dbraw/zinc/06/81/97/457068197.db2.gz JOCVTSIKYVIABQ-TZIWHRDSSA-N 2 2 344.499 3.187 20 0 EGADLP Cc1ccn2c(CN(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000349871182 457088260 /nfs/dbraw/zinc/08/82/60/457088260.db2.gz DLGJTIVRZBNNSR-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccn2c(CN(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000349871182 457088266 /nfs/dbraw/zinc/08/82/66/457088266.db2.gz DLGJTIVRZBNNSR-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ncsc1C[N@H+](CCCc1ccc(C)[nH+]c1)C[C@H]1CC[NH2+]C1 ZINC000339405746 457095802 /nfs/dbraw/zinc/09/58/02/457095802.db2.gz CKXBHMJSCKJOBV-SFHVURJKSA-N 3 2 344.528 3.199 20 0 EGADLP Cc1ncsc1C[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@H]1CC[NH2+]C1 ZINC000339405746 457095808 /nfs/dbraw/zinc/09/58/08/457095808.db2.gz CKXBHMJSCKJOBV-SFHVURJKSA-N 3 2 344.528 3.199 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(Cc4ccccc4)n3)C[C@H]21 ZINC000342097510 457106218 /nfs/dbraw/zinc/10/62/18/457106218.db2.gz HYMVLONEASXTJR-KBAYOESNSA-N 2 2 327.497 3.293 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(Cc4ccccc4)n3)C[C@H]21 ZINC000342097510 457106223 /nfs/dbraw/zinc/10/62/23/457106223.db2.gz HYMVLONEASXTJR-KBAYOESNSA-N 2 2 327.497 3.293 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)s3)C2)C1 ZINC000339427470 457110042 /nfs/dbraw/zinc/11/00/42/457110042.db2.gz VIHWIRBAJFVCQK-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)s3)C2)C1 ZINC000339427470 457110045 /nfs/dbraw/zinc/11/00/45/457110045.db2.gz VIHWIRBAJFVCQK-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Br)s3)C2)C1 ZINC000339427470 457110050 /nfs/dbraw/zinc/11/00/50/457110050.db2.gz VIHWIRBAJFVCQK-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Br)s3)C2)C1 ZINC000339427470 457110053 /nfs/dbraw/zinc/11/00/53/457110053.db2.gz VIHWIRBAJFVCQK-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000346701183 457118915 /nfs/dbraw/zinc/11/89/15/457118915.db2.gz RGIATWGGPZPMLF-PXNSSMCTSA-N 2 2 327.516 3.256 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000349966175 457124320 /nfs/dbraw/zinc/12/43/20/457124320.db2.gz QBEDLBMNNWRHAM-UHFFFAOYSA-N 2 2 335.521 3.139 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000349966175 457124323 /nfs/dbraw/zinc/12/43/23/457124323.db2.gz QBEDLBMNNWRHAM-UHFFFAOYSA-N 2 2 335.521 3.139 20 0 EGADLP CC1(C)C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC(C)(C)O1 ZINC000342129958 457126032 /nfs/dbraw/zinc/12/60/32/457126032.db2.gz OPYVOJLYFNMEOP-LJQANCHMSA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC(C)(C)O1 ZINC000342129958 457126035 /nfs/dbraw/zinc/12/60/35/457126035.db2.gz OPYVOJLYFNMEOP-LJQANCHMSA-N 2 2 346.515 3.167 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218318 457137240 /nfs/dbraw/zinc/13/72/40/457137240.db2.gz AXRQFLKMHRPWRU-YLJYHZDGSA-N 2 2 345.531 3.377 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218318 457137245 /nfs/dbraw/zinc/13/72/45/457137245.db2.gz AXRQFLKMHRPWRU-YLJYHZDGSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218318 457137252 /nfs/dbraw/zinc/13/72/52/457137252.db2.gz AXRQFLKMHRPWRU-YLJYHZDGSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@H]1C ZINC000354218318 457137255 /nfs/dbraw/zinc/13/72/55/457137255.db2.gz AXRQFLKMHRPWRU-YLJYHZDGSA-N 2 2 345.531 3.377 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(COc4ccccc4)n3)C[C@H]21 ZINC000342151248 457137954 /nfs/dbraw/zinc/13/79/54/457137954.db2.gz XFOUKYZUQXQUFF-ZTFGCOKTSA-N 2 2 343.496 3.281 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(COc4ccccc4)n3)C[C@H]21 ZINC000342151248 457137959 /nfs/dbraw/zinc/13/79/59/457137959.db2.gz XFOUKYZUQXQUFF-ZTFGCOKTSA-N 2 2 343.496 3.281 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000356759975 457154420 /nfs/dbraw/zinc/15/44/20/457154420.db2.gz NKBDGQMBERCGRJ-INIZCTEOSA-N 2 2 342.487 3.057 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000346783841 457168102 /nfs/dbraw/zinc/16/81/02/457168102.db2.gz AIIFJHHKDOFJKY-RLFYNMQTSA-N 2 2 332.492 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000346783841 457168108 /nfs/dbraw/zinc/16/81/08/457168108.db2.gz AIIFJHHKDOFJKY-RLFYNMQTSA-N 2 2 332.492 3.350 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609284 457171868 /nfs/dbraw/zinc/17/18/68/457171868.db2.gz SNKNDMFUSYJHKO-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609284 457171872 /nfs/dbraw/zinc/17/18/72/457171872.db2.gz SNKNDMFUSYJHKO-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609284 457171876 /nfs/dbraw/zinc/17/18/76/457171876.db2.gz SNKNDMFUSYJHKO-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000339609284 457171880 /nfs/dbraw/zinc/17/18/80/457171880.db2.gz SNKNDMFUSYJHKO-RBBKRZOGSA-N 2 2 336.479 3.089 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C3(c4ccc5c(c4)OCO5)CC3)cc2)c[nH+]1 ZINC000342217237 457174046 /nfs/dbraw/zinc/17/40/46/457174046.db2.gz FNQVSCGFZHZBCC-UHFFFAOYSA-N 2 2 333.391 3.380 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000360046631 457223281 /nfs/dbraw/zinc/22/32/81/457223281.db2.gz QYZCDVIRVHYBPS-NCYKPQTJSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000360046631 457223288 /nfs/dbraw/zinc/22/32/88/457223288.db2.gz QYZCDVIRVHYBPS-NCYKPQTJSA-N 2 2 340.511 3.444 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342301066 457224062 /nfs/dbraw/zinc/22/40/62/457224062.db2.gz BLLZKGKAWMIJIK-XLIONFOSSA-N 2 2 326.488 3.292 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342301066 457224065 /nfs/dbraw/zinc/22/40/65/457224065.db2.gz BLLZKGKAWMIJIK-XLIONFOSSA-N 2 2 326.488 3.292 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000347097405 457227268 /nfs/dbraw/zinc/22/72/68/457227268.db2.gz IKBCVUZCIIELEL-DZGCQCFKSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000347097405 457227272 /nfs/dbraw/zinc/22/72/72/457227272.db2.gz IKBCVUZCIIELEL-DZGCQCFKSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000347106203 457232167 /nfs/dbraw/zinc/23/21/67/457232167.db2.gz OAJWGZAPVVCFGY-QMMMGPOBSA-N 2 2 325.172 3.247 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000347106203 457232174 /nfs/dbraw/zinc/23/21/74/457232174.db2.gz OAJWGZAPVVCFGY-QMMMGPOBSA-N 2 2 325.172 3.247 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000357048521 457297185 /nfs/dbraw/zinc/29/71/85/457297185.db2.gz XGVKBUMJXVHBMB-GOSISDBHSA-N 2 2 341.434 3.224 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)c[nH+]1 ZINC000354660814 457303272 /nfs/dbraw/zinc/30/32/72/457303272.db2.gz VTTLBSXZATUYLO-QGZVFWFLSA-N 2 2 331.847 3.182 20 0 EGADLP COc1cc[nH+]c(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000355336645 457358157 /nfs/dbraw/zinc/35/81/57/457358157.db2.gz QBFFOMWMNLYCNJ-IBGZPJMESA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc[nH+]c(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000355336645 457358160 /nfs/dbraw/zinc/35/81/60/457358160.db2.gz QBFFOMWMNLYCNJ-IBGZPJMESA-N 2 2 325.456 3.187 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442176 457371248 /nfs/dbraw/zinc/37/12/48/457371248.db2.gz LOHFZQNPDSACDQ-PBHICJAKSA-N 2 2 334.414 3.073 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442176 457371249 /nfs/dbraw/zinc/37/12/49/457371249.db2.gz LOHFZQNPDSACDQ-PBHICJAKSA-N 2 2 334.414 3.073 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360840218 457377410 /nfs/dbraw/zinc/37/74/10/457377410.db2.gz MKSUTHFOSDSDCZ-IBGZPJMESA-N 2 2 331.504 3.402 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1nccn1Cc1ccccc1)CC1CCCC1 ZINC000352494832 457413537 /nfs/dbraw/zinc/41/35/37/457413537.db2.gz GAUVSRVDJNONKD-UHFFFAOYSA-N 2 2 326.488 3.272 20 0 EGADLP [NH3+]CCC[N@H+](Cc1nccn1Cc1ccccc1)CC1CCCC1 ZINC000352494832 457413541 /nfs/dbraw/zinc/41/35/41/457413541.db2.gz GAUVSRVDJNONKD-UHFFFAOYSA-N 2 2 326.488 3.272 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360894257 457415139 /nfs/dbraw/zinc/41/51/39/457415139.db2.gz NOSGTDHXHSAJJI-OALUTQOASA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360894257 457415148 /nfs/dbraw/zinc/41/51/48/457415148.db2.gz NOSGTDHXHSAJJI-OALUTQOASA-N 2 2 331.504 3.060 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000360893763 457415332 /nfs/dbraw/zinc/41/53/32/457415332.db2.gz IEDGVFKTLJLNDV-UHFFFAOYSA-N 2 2 342.439 3.309 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@H+](C)CCCO)CC3)cc2c(C)c1 ZINC000360897646 457418946 /nfs/dbraw/zinc/41/89/46/457418946.db2.gz MZAZTFGBKLNJJV-UHFFFAOYSA-N 2 2 329.488 3.063 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cc2c(C)c1 ZINC000360897646 457418950 /nfs/dbraw/zinc/41/89/50/457418950.db2.gz MZAZTFGBKLNJJV-UHFFFAOYSA-N 2 2 329.488 3.063 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000383644758 457425156 /nfs/dbraw/zinc/42/51/56/457425156.db2.gz CFYFQYFTCSYXIX-LJQANCHMSA-N 3 2 327.516 3.115 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000383644758 457425162 /nfs/dbraw/zinc/42/51/62/457425162.db2.gz CFYFQYFTCSYXIX-LJQANCHMSA-N 3 2 327.516 3.115 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000360943517 457451635 /nfs/dbraw/zinc/45/16/35/457451635.db2.gz VDLFURYFYAPGLQ-KRWDZBQOSA-N 3 2 342.462 3.084 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)no2)[nH+]1 ZINC000369899892 457451779 /nfs/dbraw/zinc/45/17/79/457451779.db2.gz LAOODWCGTDWLGH-CQSZACIVSA-N 2 2 339.399 3.110 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nc(-c3ccco3)no2)[nH+]1 ZINC000369899892 457451784 /nfs/dbraw/zinc/45/17/84/457451784.db2.gz LAOODWCGTDWLGH-CQSZACIVSA-N 2 2 339.399 3.110 20 0 EGADLP C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000425234032 457467433 /nfs/dbraw/zinc/46/74/33/457467433.db2.gz LPYXFBOCWXSVDW-NVXWUHKLSA-N 2 2 342.487 3.024 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1Br)C2 ZINC000394729935 457473393 /nfs/dbraw/zinc/47/33/93/457473393.db2.gz AXGVCJUZLPJCMA-NHYWBVRUSA-N 2 2 327.241 3.149 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1Br)C2 ZINC000394729935 457473400 /nfs/dbraw/zinc/47/34/00/457473400.db2.gz AXGVCJUZLPJCMA-NHYWBVRUSA-N 2 2 327.241 3.149 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134602 457477406 /nfs/dbraw/zinc/47/74/06/457477406.db2.gz YOIPPJRUQRQTQM-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134602 457477415 /nfs/dbraw/zinc/47/74/15/457477415.db2.gz YOIPPJRUQRQTQM-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134602 457477420 /nfs/dbraw/zinc/47/74/20/457477420.db2.gz YOIPPJRUQRQTQM-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134602 457477425 /nfs/dbraw/zinc/47/74/25/457477425.db2.gz YOIPPJRUQRQTQM-XJKSGUPXSA-N 2 2 328.378 3.327 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C[NH+](C)C)CC1 ZINC000360974457 457481261 /nfs/dbraw/zinc/48/12/61/457481261.db2.gz ORHUJTKZWMMYMN-UHFFFAOYSA-N 2 2 341.455 3.190 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398034018 457494562 /nfs/dbraw/zinc/49/45/62/457494562.db2.gz OSOOQWIIMLWAMR-HBFSDRIKSA-N 2 2 345.531 3.182 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398034018 457494566 /nfs/dbraw/zinc/49/45/66/457494566.db2.gz OSOOQWIIMLWAMR-HBFSDRIKSA-N 2 2 345.531 3.182 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000404262246 457539790 /nfs/dbraw/zinc/53/97/90/457539790.db2.gz DXZMHWVLNXHURN-SWLSCSKDSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000404262246 457539800 /nfs/dbraw/zinc/53/98/00/457539800.db2.gz DXZMHWVLNXHURN-SWLSCSKDSA-N 2 2 334.851 3.339 20 0 EGADLP COCc1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cs1 ZINC000361047269 457541544 /nfs/dbraw/zinc/54/15/44/457541544.db2.gz XAZHAKVZKLKVQI-UHFFFAOYSA-N 2 2 334.489 3.178 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)n21 ZINC000342839004 457550754 /nfs/dbraw/zinc/55/07/54/457550754.db2.gz FTWHMTPEHCTCBI-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)n21 ZINC000342839004 457550757 /nfs/dbraw/zinc/55/07/57/457550757.db2.gz FTWHMTPEHCTCBI-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP COc1ccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000406145483 457555306 /nfs/dbraw/zinc/55/53/06/457555306.db2.gz SFLUHIPHNUYIDE-OAQYLSRUSA-N 2 2 340.467 3.458 20 0 EGADLP COc1ccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000406145483 457555311 /nfs/dbraw/zinc/55/53/11/457555311.db2.gz SFLUHIPHNUYIDE-OAQYLSRUSA-N 2 2 340.467 3.458 20 0 EGADLP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cn1 ZINC000352721620 457558432 /nfs/dbraw/zinc/55/84/32/457558432.db2.gz UYMPXOCWZXFQHF-IBGZPJMESA-N 2 2 343.446 3.294 20 0 EGADLP C[NH+](C)Cc1ccnc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000361080532 457570616 /nfs/dbraw/zinc/57/06/16/457570616.db2.gz RWXXVDVBRRLSCM-KRWDZBQOSA-N 2 2 346.862 3.038 20 0 EGADLP CC(C)CCOC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347642637 457570837 /nfs/dbraw/zinc/57/08/37/457570837.db2.gz SSBVNORRKSPKHE-UHFFFAOYSA-N 2 2 325.522 3.232 20 0 EGADLP CCn1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374538637 457652718 /nfs/dbraw/zinc/65/27/18/457652718.db2.gz RZZFULYUFRNLTF-GOSISDBHSA-N 2 2 326.488 3.293 20 0 EGADLP CCn1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374538637 457652726 /nfs/dbraw/zinc/65/27/26/457652726.db2.gz RZZFULYUFRNLTF-GOSISDBHSA-N 2 2 326.488 3.293 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944643 457657076 /nfs/dbraw/zinc/65/70/76/457657076.db2.gz NTBTWSPSFWVJMI-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944643 457657083 /nfs/dbraw/zinc/65/70/83/457657083.db2.gz NTBTWSPSFWVJMI-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425944643 457657089 /nfs/dbraw/zinc/65/70/89/457657089.db2.gz NTBTWSPSFWVJMI-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccc(F)cc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425944643 457657092 /nfs/dbraw/zinc/65/70/92/457657092.db2.gz NTBTWSPSFWVJMI-LAUBAEHRSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283527 457678007 /nfs/dbraw/zinc/67/80/07/457678007.db2.gz YPKWEGGCPIUJSB-AUUYWEPGSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283527 457678009 /nfs/dbraw/zinc/67/80/09/457678009.db2.gz YPKWEGGCPIUJSB-AUUYWEPGSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+]1CCCCCC1 ZINC000361308728 457687351 /nfs/dbraw/zinc/68/73/51/457687351.db2.gz MBFXEHQSWQHISY-DLBZAZTESA-N 2 2 349.544 3.218 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677448 457698906 /nfs/dbraw/zinc/69/89/06/457698906.db2.gz WNQVXQQRGILJKL-VDZJLULYSA-N 2 2 339.487 3.162 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677448 457698909 /nfs/dbraw/zinc/69/89/09/457698909.db2.gz WNQVXQQRGILJKL-VDZJLULYSA-N 2 2 339.487 3.162 20 0 EGADLP Fc1ccc(Cn2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000364842994 457703462 /nfs/dbraw/zinc/70/34/62/457703462.db2.gz BQVQYJKGVFWCEZ-KRWDZBQOSA-N 2 2 339.418 3.173 20 0 EGADLP Fc1ccc(Cn2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000364842994 457703464 /nfs/dbraw/zinc/70/34/64/457703464.db2.gz BQVQYJKGVFWCEZ-KRWDZBQOSA-N 2 2 339.418 3.173 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000357838044 457707027 /nfs/dbraw/zinc/70/70/27/457707027.db2.gz VKOWDWSOQNMOEI-IAGOWNOFSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000357838044 457707032 /nfs/dbraw/zinc/70/70/32/457707032.db2.gz VKOWDWSOQNMOEI-IAGOWNOFSA-N 2 2 340.471 3.031 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000361471636 457743467 /nfs/dbraw/zinc/74/34/67/457743467.db2.gz SIEOOPKSRLNCFC-HIFRSBDPSA-N 2 2 346.393 3.083 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000361471636 457743470 /nfs/dbraw/zinc/74/34/70/457743470.db2.gz SIEOOPKSRLNCFC-HIFRSBDPSA-N 2 2 346.393 3.083 20 0 EGADLP C[N@H+](CCCSc1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000358025448 457743550 /nfs/dbraw/zinc/74/35/50/457743550.db2.gz OQAILUAOGXZZNX-UHFFFAOYSA-N 2 2 342.936 3.211 20 0 EGADLP C[N@@H+](CCCSc1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000358025448 457743554 /nfs/dbraw/zinc/74/35/54/457743554.db2.gz OQAILUAOGXZZNX-UHFFFAOYSA-N 2 2 342.936 3.211 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1Cl ZINC000365342384 457745193 /nfs/dbraw/zinc/74/51/93/457745193.db2.gz FDTZKUDAPGVQJD-RYUDHWBXSA-N 2 2 333.234 3.085 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1Cl ZINC000365342384 457745196 /nfs/dbraw/zinc/74/51/96/457745196.db2.gz FDTZKUDAPGVQJD-RYUDHWBXSA-N 2 2 333.234 3.085 20 0 EGADLP CC(C)Sc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000358041883 457749953 /nfs/dbraw/zinc/74/99/53/457749953.db2.gz XWDBQQNZUAWCBN-GOSISDBHSA-N 2 2 334.529 3.341 20 0 EGADLP CC(C)Sc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000358041883 457749959 /nfs/dbraw/zinc/74/99/59/457749959.db2.gz XWDBQQNZUAWCBN-GOSISDBHSA-N 2 2 334.529 3.341 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000426034287 457763755 /nfs/dbraw/zinc/76/37/55/457763755.db2.gz HUFSDFUOZOPBRH-HJZRJOMTSA-N 2 2 330.472 3.143 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000426034287 457763761 /nfs/dbraw/zinc/76/37/61/457763761.db2.gz HUFSDFUOZOPBRH-HJZRJOMTSA-N 2 2 330.472 3.143 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1[nH+]c2cccc(F)c2n1C)c1ccco1 ZINC000443518429 457775002 /nfs/dbraw/zinc/77/50/02/457775002.db2.gz SEWPYTLVUYGRJC-HNNXBMFYSA-N 2 2 330.407 3.222 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000375121758 457800122 /nfs/dbraw/zinc/80/01/22/457800122.db2.gz VJGIQETUGAMSHJ-RCOXNQKVSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000375121758 457800131 /nfs/dbraw/zinc/80/01/31/457800131.db2.gz VJGIQETUGAMSHJ-RCOXNQKVSA-N 2 2 328.500 3.444 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000358123220 457800083 /nfs/dbraw/zinc/80/00/83/457800083.db2.gz VEDYQQHOXYARIG-IBGZPJMESA-N 2 2 346.858 3.289 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000358123220 457800089 /nfs/dbraw/zinc/80/00/89/457800089.db2.gz VEDYQQHOXYARIG-IBGZPJMESA-N 2 2 346.858 3.289 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000426348310 457809563 /nfs/dbraw/zinc/80/95/63/457809563.db2.gz QHTKMXPRXLRHCG-CRAIPNDOSA-N 2 2 342.487 3.331 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000426348310 457809567 /nfs/dbraw/zinc/80/95/67/457809567.db2.gz QHTKMXPRXLRHCG-CRAIPNDOSA-N 2 2 342.487 3.331 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303398 457855889 /nfs/dbraw/zinc/85/58/89/457855889.db2.gz OJMUYDPMJWAJIP-AVRDEDQJSA-N 2 2 337.511 3.298 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303398 457855893 /nfs/dbraw/zinc/85/58/93/457855893.db2.gz OJMUYDPMJWAJIP-AVRDEDQJSA-N 2 2 337.511 3.298 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1C ZINC000375269326 457857660 /nfs/dbraw/zinc/85/76/60/457857660.db2.gz PWQVZJOXOYNBNO-HNNXBMFYSA-N 2 2 340.471 3.343 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1C(C)(C)C ZINC000433756032 457878161 /nfs/dbraw/zinc/87/81/61/457878161.db2.gz CUKBNYZABUEZEQ-UHFFFAOYSA-N 2 2 345.531 3.082 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1C(C)(C)C ZINC000433756032 457878165 /nfs/dbraw/zinc/87/81/65/457878165.db2.gz CUKBNYZABUEZEQ-UHFFFAOYSA-N 2 2 345.531 3.082 20 0 EGADLP C[C@@H](CCNc1cc(N2CCCC2)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000433771264 457881909 /nfs/dbraw/zinc/88/19/09/457881909.db2.gz OMQYTYVUQVGWGW-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@@H](CCNc1cc(N2CCCC2)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000433771264 457881914 /nfs/dbraw/zinc/88/19/14/457881914.db2.gz OMQYTYVUQVGWGW-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@@H](CCNc1cc(N2CCCC2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000433771264 457881918 /nfs/dbraw/zinc/88/19/18/457881918.db2.gz OMQYTYVUQVGWGW-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@@H](CCNc1cc(N2CCCC2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000433771264 457881928 /nfs/dbraw/zinc/88/19/28/457881928.db2.gz OMQYTYVUQVGWGW-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)ccc1Cl ZINC000375344240 457889778 /nfs/dbraw/zinc/88/97/78/457889778.db2.gz CBXRXUFABBFJCJ-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)ccc1Cl ZINC000375344240 457889783 /nfs/dbraw/zinc/88/97/83/457889783.db2.gz CBXRXUFABBFJCJ-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP Cc1ccc2c(c1)CC[N@H+](C[C@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)C2 ZINC000361844127 457902724 /nfs/dbraw/zinc/90/27/24/457902724.db2.gz SSTCXYGWCSWSBQ-FQEVSTJZSA-N 2 2 349.478 3.381 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000358283107 457909634 /nfs/dbraw/zinc/90/96/34/457909634.db2.gz CKTNYUFGGRFWHU-AWEZNQCLSA-N 2 2 348.516 3.453 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000367184091 457930738 /nfs/dbraw/zinc/93/07/38/457930738.db2.gz FGDCPJZKTHUWOS-DLBZAZTESA-N 2 2 349.544 3.218 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000367184091 457930745 /nfs/dbraw/zinc/93/07/45/457930745.db2.gz FGDCPJZKTHUWOS-DLBZAZTESA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890252 457934151 /nfs/dbraw/zinc/93/41/51/457934151.db2.gz DRRGARURXHWQBI-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099828 457946497 /nfs/dbraw/zinc/94/64/97/457946497.db2.gz LZBZLQGVJVYHOY-WMZOPIPTSA-N 2 2 337.471 3.324 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099828 457946504 /nfs/dbraw/zinc/94/65/04/457946504.db2.gz LZBZLQGVJVYHOY-WMZOPIPTSA-N 2 2 337.471 3.324 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000358342575 457947089 /nfs/dbraw/zinc/94/70/89/457947089.db2.gz FSINHCBORKNOLI-BBRMVZONSA-N 2 2 328.287 3.034 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000434191561 457960344 /nfs/dbraw/zinc/96/03/44/457960344.db2.gz OCHAVRQCYHRVPL-QGZVFWFLSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000434191561 457960348 /nfs/dbraw/zinc/96/03/48/457960348.db2.gz OCHAVRQCYHRVPL-QGZVFWFLSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000434191561 457960353 /nfs/dbraw/zinc/96/03/53/457960353.db2.gz OCHAVRQCYHRVPL-QGZVFWFLSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000434191561 457960358 /nfs/dbraw/zinc/96/03/58/457960358.db2.gz OCHAVRQCYHRVPL-QGZVFWFLSA-N 2 2 326.488 3.379 20 0 EGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100892 458010781 /nfs/dbraw/zinc/01/07/81/458010781.db2.gz IUQIHWLFPKXCFI-ZQIUZPCESA-N 2 2 348.491 3.035 20 0 EGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100892 458010788 /nfs/dbraw/zinc/01/07/88/458010788.db2.gz IUQIHWLFPKXCFI-ZQIUZPCESA-N 2 2 348.491 3.035 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(F)c1 ZINC000427879855 458046991 /nfs/dbraw/zinc/04/69/91/458046991.db2.gz USPWNCIEZSPWCP-JQWIXIFHSA-N 2 2 338.224 3.450 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037646 458069753 /nfs/dbraw/zinc/06/97/53/458069753.db2.gz KQDHIJCSQXDHMW-FXAWDEMLSA-N 2 2 341.499 3.036 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037646 458069756 /nfs/dbraw/zinc/06/97/56/458069756.db2.gz KQDHIJCSQXDHMW-FXAWDEMLSA-N 2 2 341.499 3.036 20 0 EGADLP COc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000435377656 458126757 /nfs/dbraw/zinc/12/67/57/458126757.db2.gz DZVHPMPPMJMTMD-UHFFFAOYSA-N 2 2 326.440 3.070 20 0 EGADLP COc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000435377656 458126761 /nfs/dbraw/zinc/12/67/61/458126761.db2.gz DZVHPMPPMJMTMD-UHFFFAOYSA-N 2 2 326.440 3.070 20 0 EGADLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000435379176 458127957 /nfs/dbraw/zinc/12/79/57/458127957.db2.gz LIGLGMMTKQEOOQ-AWEZNQCLSA-N 2 2 346.393 3.210 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000435379176 458127964 /nfs/dbraw/zinc/12/79/64/458127964.db2.gz LIGLGMMTKQEOOQ-AWEZNQCLSA-N 2 2 346.393 3.210 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435384865 458132818 /nfs/dbraw/zinc/13/28/18/458132818.db2.gz OKHWDNZTKXOXBY-LBPRGKRZSA-N 2 2 349.276 3.010 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435384865 458132824 /nfs/dbraw/zinc/13/28/24/458132824.db2.gz OKHWDNZTKXOXBY-LBPRGKRZSA-N 2 2 349.276 3.010 20 0 EGADLP C[N@H+](Cc1cc(F)cc(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428417340 458137850 /nfs/dbraw/zinc/13/78/50/458137850.db2.gz CMMQQZQGVNSCSM-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428417340 458137855 /nfs/dbraw/zinc/13/78/55/458137855.db2.gz CMMQQZQGVNSCSM-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cc(F)cc(F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428417340 458137861 /nfs/dbraw/zinc/13/78/61/458137861.db2.gz CMMQQZQGVNSCSM-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cc(F)cc(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428417340 458137865 /nfs/dbraw/zinc/13/78/65/458137865.db2.gz CMMQQZQGVNSCSM-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243782 458141304 /nfs/dbraw/zinc/14/13/04/458141304.db2.gz ZJFLRIZUDYTJFR-IAGOWNOFSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243782 458141313 /nfs/dbraw/zinc/14/13/13/458141313.db2.gz ZJFLRIZUDYTJFR-IAGOWNOFSA-N 2 2 337.423 3.231 20 0 EGADLP CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000435611524 458172041 /nfs/dbraw/zinc/17/20/41/458172041.db2.gz BHQRLIMPIXUXKU-KRWDZBQOSA-N 2 2 338.499 3.325 20 0 EGADLP CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000435611524 458172046 /nfs/dbraw/zinc/17/20/46/458172046.db2.gz BHQRLIMPIXUXKU-KRWDZBQOSA-N 2 2 338.499 3.325 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065981 458181605 /nfs/dbraw/zinc/18/16/05/458181605.db2.gz UVPXFTXQPBQDPU-NOLJZWGESA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065981 458181611 /nfs/dbraw/zinc/18/16/11/458181611.db2.gz UVPXFTXQPBQDPU-NOLJZWGESA-N 2 2 344.377 3.099 20 0 EGADLP CCCc1noc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435698063 458186690 /nfs/dbraw/zinc/18/66/90/458186690.db2.gz ZYMQYAMFRIUDLX-HNNXBMFYSA-N 2 2 346.500 3.228 20 0 EGADLP CCCc1noc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435698063 458186697 /nfs/dbraw/zinc/18/66/97/458186697.db2.gz ZYMQYAMFRIUDLX-HNNXBMFYSA-N 2 2 346.500 3.228 20 0 EGADLP CC(C)(C)c1cnc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000369380266 458196717 /nfs/dbraw/zinc/19/67/17/458196717.db2.gz SLTHDAXCCLSYMK-CQSZACIVSA-N 2 2 337.533 3.031 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000435869920 458216666 /nfs/dbraw/zinc/21/66/66/458216666.db2.gz DDKKLAHAFKBZCM-AWEZNQCLSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000435869920 458216674 /nfs/dbraw/zinc/21/66/74/458216674.db2.gz DDKKLAHAFKBZCM-AWEZNQCLSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@@H](C)O1 ZINC000428861913 458225252 /nfs/dbraw/zinc/22/52/52/458225252.db2.gz LRGRBSHLOZHBCX-CHWSQXEVSA-N 2 2 337.464 3.024 20 0 EGADLP COc1ccc(CC[N@H+](CCc2c[nH+]cn2C)CC(C)C)cc1OC ZINC000459357832 458342618 /nfs/dbraw/zinc/34/26/18/458342618.db2.gz DGCBEEXBODIHHA-UHFFFAOYSA-N 2 2 345.487 3.181 20 0 EGADLP COc1ccc(CC[N@@H+](CCc2c[nH+]cn2C)CC(C)C)cc1OC ZINC000459357832 458342622 /nfs/dbraw/zinc/34/26/22/458342622.db2.gz DGCBEEXBODIHHA-UHFFFAOYSA-N 2 2 345.487 3.181 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000459385045 458354549 /nfs/dbraw/zinc/35/45/49/458354549.db2.gz ZAKTYVCBGMLXIZ-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000459385045 458354556 /nfs/dbraw/zinc/35/45/56/458354556.db2.gz ZAKTYVCBGMLXIZ-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000372986673 458367337 /nfs/dbraw/zinc/36/73/37/458367337.db2.gz WFKFMGYXHIANNE-SFHVURJKSA-N 2 2 344.503 3.187 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000372986673 458367340 /nfs/dbraw/zinc/36/73/40/458367340.db2.gz WFKFMGYXHIANNE-SFHVURJKSA-N 2 2 344.503 3.187 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436747 458371447 /nfs/dbraw/zinc/37/14/47/458371447.db2.gz ZHUFLXHCQLWCAG-OXJNMPFZSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436747 458371450 /nfs/dbraw/zinc/37/14/50/458371450.db2.gz ZHUFLXHCQLWCAG-OXJNMPFZSA-N 2 2 336.483 3.354 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459451681 458375884 /nfs/dbraw/zinc/37/58/84/458375884.db2.gz LNPGFKXGKSUXQD-WOJBJXKFSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459451681 458375889 /nfs/dbraw/zinc/37/58/89/458375889.db2.gz LNPGFKXGKSUXQD-WOJBJXKFSA-N 2 2 344.886 3.108 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448034110 458382744 /nfs/dbraw/zinc/38/27/44/458382744.db2.gz ZTSZPBNREFGQBU-RHSMWYFYSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448034110 458382746 /nfs/dbraw/zinc/38/27/46/458382746.db2.gz ZTSZPBNREFGQBU-RHSMWYFYSA-N 2 2 335.467 3.253 20 0 EGADLP Brc1csc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376757789 458385612 /nfs/dbraw/zinc/38/56/12/458385612.db2.gz JIDOFPCOIPHLGQ-UHFFFAOYSA-N 2 2 326.263 3.333 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(O)c1Br ZINC000459570237 458414555 /nfs/dbraw/zinc/41/45/55/458414555.db2.gz ZJDPEPNXIDHFFY-UHFFFAOYSA-N 2 2 338.249 3.182 20 0 EGADLP Fc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cnc3ccccc3c2)cc1 ZINC000423428668 458431148 /nfs/dbraw/zinc/43/11/48/458431148.db2.gz JOYQAQDNQPBEQU-JYRKZWEQSA-N 2 2 333.410 3.271 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423472453 458437296 /nfs/dbraw/zinc/43/72/96/458437296.db2.gz FVIKHOQWGLVECL-CZUORRHYSA-N 2 2 333.476 3.108 20 0 EGADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491642 458442572 /nfs/dbraw/zinc/44/25/72/458442572.db2.gz KDYYOSZNYKLVMF-BXUZGUMPSA-N 2 2 345.270 3.175 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C(=O)OC)cc1 ZINC000423525041 458451015 /nfs/dbraw/zinc/45/10/15/458451015.db2.gz KBBMHCKYBMIPKO-SLFFLAALSA-N 2 2 338.451 3.270 20 0 EGADLP CCOC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698508 458451398 /nfs/dbraw/zinc/45/13/98/458451398.db2.gz CEOCZUNWPXLSRY-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698508 458451403 /nfs/dbraw/zinc/45/14/03/458451403.db2.gz CEOCZUNWPXLSRY-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000459698508 458451407 /nfs/dbraw/zinc/45/14/07/458451407.db2.gz CEOCZUNWPXLSRY-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000459698508 458451412 /nfs/dbraw/zinc/45/14/12/458451412.db2.gz CEOCZUNWPXLSRY-SFTDATJTSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000459705365 458452175 /nfs/dbraw/zinc/45/21/75/458452175.db2.gz IAXPTHVJFDJXPG-NRFANRHFSA-N 2 2 345.531 3.090 20 0 EGADLP CCOC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000459705365 458452181 /nfs/dbraw/zinc/45/21/81/458452181.db2.gz IAXPTHVJFDJXPG-NRFANRHFSA-N 2 2 345.531 3.090 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423531179 458452925 /nfs/dbraw/zinc/45/29/25/458452925.db2.gz XULSDUWHTYPNEI-YOEHRIQHSA-N 2 2 330.403 3.257 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423535224 458453276 /nfs/dbraw/zinc/45/32/76/458453276.db2.gz XEEDVWGGYLZTRK-AYOQOUSVSA-N 2 2 340.467 3.418 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430537138 458457907 /nfs/dbraw/zinc/45/79/07/458457907.db2.gz GJKOMWPYEAFZHX-GUTXKFCHSA-N 2 2 348.878 3.434 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430537138 458457911 /nfs/dbraw/zinc/45/79/11/458457911.db2.gz GJKOMWPYEAFZHX-GUTXKFCHSA-N 2 2 348.878 3.434 20 0 EGADLP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccs1 ZINC000423577430 458458546 /nfs/dbraw/zinc/45/85/46/458458546.db2.gz SFBUXYDHJPKGDM-GDBMZVCRSA-N 2 2 336.888 3.263 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H]1C[NH3+] ZINC000430565096 458462362 /nfs/dbraw/zinc/46/23/62/458462362.db2.gz DTLPWRUKOXPRLI-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@H]1C[NH3+] ZINC000430565096 458462369 /nfs/dbraw/zinc/46/23/69/458462369.db2.gz DTLPWRUKOXPRLI-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000430576123 458464675 /nfs/dbraw/zinc/46/46/75/458464675.db2.gz RQDRVLAYNOHGOL-XLIONFOSSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000430576123 458464680 /nfs/dbraw/zinc/46/46/80/458464680.db2.gz RQDRVLAYNOHGOL-XLIONFOSSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000430576544 458464943 /nfs/dbraw/zinc/46/49/43/458464943.db2.gz MOQBRYAWBIYYQM-RDJZCZTQSA-N 2 2 345.487 3.257 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000430576544 458464948 /nfs/dbraw/zinc/46/49/48/458464948.db2.gz MOQBRYAWBIYYQM-RDJZCZTQSA-N 2 2 345.487 3.257 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000430576542 458465671 /nfs/dbraw/zinc/46/56/71/458465671.db2.gz MOQBRYAWBIYYQM-DOTOQJQBSA-N 2 2 345.487 3.257 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000430576542 458465676 /nfs/dbraw/zinc/46/56/76/458465676.db2.gz MOQBRYAWBIYYQM-DOTOQJQBSA-N 2 2 345.487 3.257 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430585824 458466128 /nfs/dbraw/zinc/46/61/28/458466128.db2.gz RJDBAOCJFGFORE-UKRRQHHQSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430585824 458466134 /nfs/dbraw/zinc/46/61/34/458466134.db2.gz RJDBAOCJFGFORE-UKRRQHHQSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430585823 458466792 /nfs/dbraw/zinc/46/67/92/458466792.db2.gz RJDBAOCJFGFORE-HIFRSBDPSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430585823 458466793 /nfs/dbraw/zinc/46/67/93/458466793.db2.gz RJDBAOCJFGFORE-HIFRSBDPSA-N 2 2 325.884 3.281 20 0 EGADLP CC(C)(C[NH3+])C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000430679360 458478816 /nfs/dbraw/zinc/47/88/16/458478816.db2.gz VMJGTUXKXRSSNW-UHFFFAOYSA-N 2 2 340.402 3.216 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2[nH+]c1C1CC1 ZINC000423813018 458489249 /nfs/dbraw/zinc/48/92/49/458489249.db2.gz PVHFKCLLVWBPQF-ZFWWWQNUSA-N 2 2 326.444 3.297 20 0 EGADLP [NH3+]C[C@@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916375 458503755 /nfs/dbraw/zinc/50/37/55/458503755.db2.gz AFVDJIPRTQAHAR-YJBOKZPZSA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+]C[C@@H]1CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916375 458503758 /nfs/dbraw/zinc/50/37/58/458503758.db2.gz AFVDJIPRTQAHAR-YJBOKZPZSA-N 2 2 334.423 3.107 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000430916839 458505030 /nfs/dbraw/zinc/50/50/30/458505030.db2.gz IKMRIEULJFUKIS-ZTFGCOKTSA-N 2 2 349.494 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000430916839 458505035 /nfs/dbraw/zinc/50/50/35/458505035.db2.gz IKMRIEULJFUKIS-ZTFGCOKTSA-N 2 2 349.494 3.088 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517976 458517225 /nfs/dbraw/zinc/51/72/25/458517225.db2.gz FKCXTDCYWDASPV-KTQJEEDSSA-N 3 2 347.469 3.110 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517976 458517228 /nfs/dbraw/zinc/51/72/28/458517228.db2.gz FKCXTDCYWDASPV-KTQJEEDSSA-N 3 2 347.469 3.110 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337296 458559174 /nfs/dbraw/zinc/55/91/74/458559174.db2.gz MVKVQLPHYSGUSM-UAOJZALGSA-N 2 2 326.484 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337296 458559183 /nfs/dbraw/zinc/55/91/83/458559183.db2.gz MVKVQLPHYSGUSM-UAOJZALGSA-N 2 2 326.484 3.461 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(F)c1 ZINC000424140831 458569414 /nfs/dbraw/zinc/56/94/14/458569414.db2.gz FPTLPGPQPKWUEI-OALUTQOASA-N 2 2 338.442 3.131 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)CCC2 ZINC000377993235 458593343 /nfs/dbraw/zinc/59/33/43/458593343.db2.gz FLTJXGCDMVKMCE-GOEBONIOSA-N 2 2 326.444 3.076 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000424380592 458630515 /nfs/dbraw/zinc/63/05/15/458630515.db2.gz XFDQYMZCRSKPTE-MCIONIFRSA-N 2 2 327.241 3.435 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)cc1OC ZINC000502255601 458642230 /nfs/dbraw/zinc/64/22/30/458642230.db2.gz PMGDJFJESMSUHX-QGZVFWFLSA-N 2 2 334.504 3.409 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1OC ZINC000502289942 458643581 /nfs/dbraw/zinc/64/35/81/458643581.db2.gz YBMSQXDJXFUUBE-SOLBZPMBSA-N 2 2 334.504 3.262 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1OC ZINC000502289942 458643584 /nfs/dbraw/zinc/64/35/84/458643584.db2.gz YBMSQXDJXFUUBE-SOLBZPMBSA-N 2 2 334.504 3.262 20 0 EGADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000462813041 458657060 /nfs/dbraw/zinc/65/70/60/458657060.db2.gz KCTBIWDQWYQZDM-DLBZAZTESA-N 2 2 342.531 3.060 20 0 EGADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000462813041 458657066 /nfs/dbraw/zinc/65/70/66/458657066.db2.gz KCTBIWDQWYQZDM-DLBZAZTESA-N 2 2 342.531 3.060 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470962321 458669998 /nfs/dbraw/zinc/66/99/98/458669998.db2.gz VZDWXYLSDKBURL-XLIONFOSSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470962321 458670005 /nfs/dbraw/zinc/67/00/05/458670005.db2.gz VZDWXYLSDKBURL-XLIONFOSSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470962321 458670009 /nfs/dbraw/zinc/67/00/09/458670009.db2.gz VZDWXYLSDKBURL-XLIONFOSSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470962321 458670015 /nfs/dbraw/zinc/67/00/15/458670015.db2.gz VZDWXYLSDKBURL-XLIONFOSSA-N 2 2 347.547 3.045 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OCC(C)C ZINC000494424650 458674766 /nfs/dbraw/zinc/67/47/66/458674766.db2.gz IUWIVKRVVHJRHS-QGZVFWFLSA-N 2 2 343.471 3.421 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+]C[C@]3(C)CCC[N@@H+]3Cc3ccccc3)cc12 ZINC000494440463 458678497 /nfs/dbraw/zinc/67/84/97/458678497.db2.gz XTXKAIWBPUTKMH-NRFANRHFSA-N 2 2 349.482 3.411 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+]C[C@]3(C)CCC[N@H+]3Cc3ccccc3)cc12 ZINC000494440463 458678499 /nfs/dbraw/zinc/67/84/99/458678499.db2.gz XTXKAIWBPUTKMH-NRFANRHFSA-N 2 2 349.482 3.411 20 0 EGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000503100906 458692778 /nfs/dbraw/zinc/69/27/78/458692778.db2.gz SQJHLMWXINBENS-FQEVSTJZSA-N 2 2 346.515 3.266 20 0 EGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000503100906 458692783 /nfs/dbraw/zinc/69/27/83/458692783.db2.gz SQJHLMWXINBENS-FQEVSTJZSA-N 2 2 346.515 3.266 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277173 458713518 /nfs/dbraw/zinc/71/35/18/458713518.db2.gz VRVPYZZERJJOEF-RTBURBONSA-N 2 2 330.859 3.086 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000547277173 458713527 /nfs/dbraw/zinc/71/35/27/458713527.db2.gz VRVPYZZERJJOEF-RTBURBONSA-N 2 2 330.859 3.086 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)CC3 ZINC000547309630 458717008 /nfs/dbraw/zinc/71/70/08/458717008.db2.gz DLIVEWHAVADYSB-CVEARBPZSA-N 2 2 341.499 3.355 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)CC3 ZINC000547309630 458717013 /nfs/dbraw/zinc/71/70/13/458717013.db2.gz DLIVEWHAVADYSB-CVEARBPZSA-N 2 2 341.499 3.355 20 0 EGADLP C[N@H+](CCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)C1CCCCC1 ZINC000547736921 458781696 /nfs/dbraw/zinc/78/16/96/458781696.db2.gz UFVDVJKGOWRXSG-UHFFFAOYSA-N 2 2 340.471 3.348 20 0 EGADLP C[N@@H+](CCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)C1CCCCC1 ZINC000547736921 458781702 /nfs/dbraw/zinc/78/17/02/458781702.db2.gz UFVDVJKGOWRXSG-UHFFFAOYSA-N 2 2 340.471 3.348 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495008385 458782383 /nfs/dbraw/zinc/78/23/83/458782383.db2.gz RRPHRVQHIYNPKJ-CQSZACIVSA-N 2 2 330.407 3.065 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495008385 458782388 /nfs/dbraw/zinc/78/23/88/458782388.db2.gz RRPHRVQHIYNPKJ-CQSZACIVSA-N 2 2 330.407 3.065 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000472351669 458790757 /nfs/dbraw/zinc/79/07/57/458790757.db2.gz XDNFHTWXDKCSMI-FUHWJXTLSA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000472351669 458790759 /nfs/dbraw/zinc/79/07/59/458790759.db2.gz XDNFHTWXDKCSMI-FUHWJXTLSA-N 2 2 348.441 3.450 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)c(C(C)C)nc2s1 ZINC000432818951 458792083 /nfs/dbraw/zinc/79/20/83/458792083.db2.gz VRIHXFIPRDUBAO-AWEZNQCLSA-N 2 2 335.521 3.139 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c(C(C)C)nc2s1 ZINC000432818951 458792088 /nfs/dbraw/zinc/79/20/88/458792088.db2.gz VRIHXFIPRDUBAO-AWEZNQCLSA-N 2 2 335.521 3.139 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079482 458795913 /nfs/dbraw/zinc/79/59/13/458795913.db2.gz AGSKPDKTJGFJAY-SJLPKXTDSA-N 2 2 333.524 3.384 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079482 458795917 /nfs/dbraw/zinc/79/59/17/458795917.db2.gz AGSKPDKTJGFJAY-SJLPKXTDSA-N 2 2 333.524 3.384 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)CCC2 ZINC000495088975 458798387 /nfs/dbraw/zinc/79/83/87/458798387.db2.gz WPEFOSQYFVFSDB-MAUKXSAKSA-N 2 2 340.471 3.122 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000518214231 458849811 /nfs/dbraw/zinc/84/98/11/458849811.db2.gz PXYJZFGRNIBJKF-INIZCTEOSA-N 2 2 346.862 3.072 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000531143416 458878592 /nfs/dbraw/zinc/87/85/92/458878592.db2.gz MFBSMFSIXYAGAJ-UWVAXJGDSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000531143416 458878597 /nfs/dbraw/zinc/87/85/97/458878597.db2.gz MFBSMFSIXYAGAJ-UWVAXJGDSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000531143416 458878603 /nfs/dbraw/zinc/87/86/03/458878603.db2.gz MFBSMFSIXYAGAJ-UWVAXJGDSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000531143416 458878606 /nfs/dbraw/zinc/87/86/06/458878606.db2.gz MFBSMFSIXYAGAJ-UWVAXJGDSA-N 2 2 345.531 3.231 20 0 EGADLP C[NH+](C)[C@H](CNc1cc[nH+]c2ccncc12)c1ccc(Cl)cc1 ZINC000531253047 458894495 /nfs/dbraw/zinc/89/44/95/458894495.db2.gz QPCHYEBHXDVSDZ-GOSISDBHSA-N 2 2 326.831 3.420 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270046 458907888 /nfs/dbraw/zinc/90/78/88/458907888.db2.gz NKCYZPNGECBGFD-ILXRZTDVSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270046 458907891 /nfs/dbraw/zinc/90/78/91/458907891.db2.gz NKCYZPNGECBGFD-ILXRZTDVSA-N 2 2 347.484 3.087 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880254 458916909 /nfs/dbraw/zinc/91/69/09/458916909.db2.gz JFWXDPISRGZWTJ-NRFANRHFSA-N 2 2 339.483 3.026 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880254 458916911 /nfs/dbraw/zinc/91/69/11/458916911.db2.gz JFWXDPISRGZWTJ-NRFANRHFSA-N 2 2 339.483 3.026 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880254 458916913 /nfs/dbraw/zinc/91/69/13/458916913.db2.gz JFWXDPISRGZWTJ-NRFANRHFSA-N 2 2 339.483 3.026 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880254 458916918 /nfs/dbraw/zinc/91/69/18/458916918.db2.gz JFWXDPISRGZWTJ-NRFANRHFSA-N 2 2 339.483 3.026 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369971 458929273 /nfs/dbraw/zinc/92/92/73/458929273.db2.gz OWLYEHLUELPZBB-FUHWJXTLSA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369971 458929275 /nfs/dbraw/zinc/92/92/75/458929275.db2.gz OWLYEHLUELPZBB-FUHWJXTLSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369971 458929277 /nfs/dbraw/zinc/92/92/77/458929277.db2.gz OWLYEHLUELPZBB-FUHWJXTLSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000441369971 458929279 /nfs/dbraw/zinc/92/92/79/458929279.db2.gz OWLYEHLUELPZBB-FUHWJXTLSA-N 2 2 349.906 3.252 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000475339880 458937202 /nfs/dbraw/zinc/93/72/02/458937202.db2.gz WHYHBVSXGXXVTI-AYWYSENESA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000475339880 458937210 /nfs/dbraw/zinc/93/72/10/458937210.db2.gz WHYHBVSXGXXVTI-AYWYSENESA-N 3 2 329.532 3.217 20 0 EGADLP Cc1ccn2c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc2c1 ZINC000475355969 458938523 /nfs/dbraw/zinc/93/85/23/458938523.db2.gz RCIPAEVHNBFDOJ-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccn2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc2c1 ZINC000475355969 458938531 /nfs/dbraw/zinc/93/85/31/458938531.db2.gz RCIPAEVHNBFDOJ-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccn2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cnc2c1 ZINC000475355969 458938537 /nfs/dbraw/zinc/93/85/37/458938537.db2.gz RCIPAEVHNBFDOJ-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccn2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc2c1 ZINC000475355969 458938543 /nfs/dbraw/zinc/93/85/43/458938543.db2.gz RCIPAEVHNBFDOJ-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466869 458950449 /nfs/dbraw/zinc/95/04/49/458950449.db2.gz OJYRZHZSPWXOAA-OALUTQOASA-N 2 2 343.515 3.014 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466869 458950454 /nfs/dbraw/zinc/95/04/54/458950454.db2.gz OJYRZHZSPWXOAA-OALUTQOASA-N 2 2 343.515 3.014 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531706252 458964027 /nfs/dbraw/zinc/96/40/27/458964027.db2.gz NUPKXGNVDMPXPV-VQTJNVASSA-N 2 2 343.515 3.060 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000531706252 458964031 /nfs/dbraw/zinc/96/40/31/458964031.db2.gz NUPKXGNVDMPXPV-VQTJNVASSA-N 2 2 343.515 3.060 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457477039 458971362 /nfs/dbraw/zinc/97/13/62/458971362.db2.gz IKYVCMWAQAVHII-UHFFFAOYSA-N 2 2 338.455 3.290 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000519656476 458982980 /nfs/dbraw/zinc/98/29/80/458982980.db2.gz VOZIDEUUZLOVEG-UHFFFAOYSA-N 2 2 347.890 3.213 20 0 EGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000468042712 458998576 /nfs/dbraw/zinc/99/85/76/458998576.db2.gz NHRPEJRPBZZINI-QHAWAJNXSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000468042712 458998579 /nfs/dbraw/zinc/99/85/79/458998579.db2.gz NHRPEJRPBZZINI-QHAWAJNXSA-N 2 2 328.500 3.446 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000531957708 459007077 /nfs/dbraw/zinc/00/70/77/459007077.db2.gz VYGGUUICTDXCNA-UHFFFAOYSA-N 2 2 331.382 3.099 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)nnn1-c1cccc(Cl)c1 ZINC000566967639 459029546 /nfs/dbraw/zinc/02/95/46/459029546.db2.gz VNIJRHAMYGYBEV-CYBMUJFWSA-N 2 2 335.883 3.268 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000532204273 459046818 /nfs/dbraw/zinc/04/68/18/459046818.db2.gz KAHCUCQONWJYGJ-HOCLYGCPSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000532204273 459046822 /nfs/dbraw/zinc/04/68/22/459046822.db2.gz KAHCUCQONWJYGJ-HOCLYGCPSA-N 2 2 340.895 3.356 20 0 EGADLP FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520790185 459094232 /nfs/dbraw/zinc/09/42/32/459094232.db2.gz HBKHMHPKYKGATM-OAHLLOKOSA-N 2 2 348.384 3.158 20 0 EGADLP FC(F)C(F)(F)COCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520790185 459094239 /nfs/dbraw/zinc/09/42/39/459094239.db2.gz HBKHMHPKYKGATM-OAHLLOKOSA-N 2 2 348.384 3.158 20 0 EGADLP COC(=O)CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000532645902 459123277 /nfs/dbraw/zinc/12/32/77/459123277.db2.gz LZEUFPSTAMJKLE-UHFFFAOYSA-N 2 2 327.428 3.038 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CCO)C1CCCCC1 ZINC000479620805 459154450 /nfs/dbraw/zinc/15/44/50/459154450.db2.gz ZFFLOHLSOHDLCY-QMMLZNLJSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CCO)C1CCCCC1 ZINC000479620805 459154454 /nfs/dbraw/zinc/15/44/54/459154454.db2.gz ZFFLOHLSOHDLCY-QMMLZNLJSA-N 2 2 330.516 3.428 20 0 EGADLP O=c1[nH]c2ccccc2n1CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000532919528 459159498 /nfs/dbraw/zinc/15/94/98/459159498.db2.gz JWOAEPWMPLWCBU-UHFFFAOYSA-N 2 2 342.487 3.082 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000532966729 459166399 /nfs/dbraw/zinc/16/63/99/459166399.db2.gz OVEDNIRJDAKZDZ-PDRSHUBSSA-N 2 2 330.516 3.190 20 0 EGADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000532966729 459166404 /nfs/dbraw/zinc/16/64/04/459166404.db2.gz OVEDNIRJDAKZDZ-PDRSHUBSSA-N 2 2 330.516 3.190 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000480036193 459178378 /nfs/dbraw/zinc/17/83/78/459178378.db2.gz DDAODOXHCVFBEW-GOEBONIOSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000480036193 459178382 /nfs/dbraw/zinc/17/83/82/459178382.db2.gz DDAODOXHCVFBEW-GOEBONIOSA-N 2 2 340.895 3.356 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269774 459261188 /nfs/dbraw/zinc/26/11/88/459261188.db2.gz XHTKQISHTXRMHT-LPHOPBHVSA-N 3 2 326.488 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269774 459261195 /nfs/dbraw/zinc/26/11/95/459261195.db2.gz XHTKQISHTXRMHT-LPHOPBHVSA-N 3 2 326.488 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)n1C ZINC000568269512 459262103 /nfs/dbraw/zinc/26/21/03/459262103.db2.gz NLWKPIHOIMVQGF-UHFFFAOYSA-N 2 2 342.365 3.090 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790523 459278090 /nfs/dbraw/zinc/27/80/90/459278090.db2.gz YBTBYSPCACTGGY-XIRDDKMYSA-N 2 2 327.476 3.414 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)[nH]1 ZINC000559790523 459278097 /nfs/dbraw/zinc/27/80/97/459278097.db2.gz YBTBYSPCACTGGY-XIRDDKMYSA-N 2 2 327.476 3.414 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000482152861 459293357 /nfs/dbraw/zinc/29/33/57/459293357.db2.gz YNFGQGGYJIHDMU-VXKWHMMOSA-N 2 2 340.511 3.336 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000482152861 459293362 /nfs/dbraw/zinc/29/33/62/459293362.db2.gz YNFGQGGYJIHDMU-VXKWHMMOSA-N 2 2 340.511 3.336 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083101 459310220 /nfs/dbraw/zinc/31/02/20/459310220.db2.gz OEXTZRWZJFADTP-GJZGRUSLSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083101 459310222 /nfs/dbraw/zinc/31/02/22/459310222.db2.gz OEXTZRWZJFADTP-GJZGRUSLSA-N 2 2 346.862 3.051 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC000560338529 459326483 /nfs/dbraw/zinc/32/64/83/459326483.db2.gz FINKLNZBXUMTMA-SJLPKXTDSA-N 2 2 328.460 3.034 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873289 459328459 /nfs/dbraw/zinc/32/84/59/459328459.db2.gz FIPXACWGCRMHNN-PBHICJAKSA-N 2 2 347.503 3.451 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000482873289 459328467 /nfs/dbraw/zinc/32/84/67/459328467.db2.gz FIPXACWGCRMHNN-PBHICJAKSA-N 2 2 347.503 3.451 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496904861 459365470 /nfs/dbraw/zinc/36/54/70/459365470.db2.gz WREWIPVAGNEOJX-IRXDYDNUSA-N 2 2 333.476 3.358 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)Cc3ccsc3)c2cc1C ZINC000560904501 459404688 /nfs/dbraw/zinc/40/46/88/459404688.db2.gz SJJMYONFSINKFM-RDJZCZTQSA-N 2 2 343.496 3.296 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3C[C@H](C)C[C@H](C)C3)c2cc1C ZINC000560903729 459405255 /nfs/dbraw/zinc/40/52/55/459405255.db2.gz NCBODFXWVQXXFT-JFTQMJAMSA-N 2 2 329.488 3.428 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866919 459457408 /nfs/dbraw/zinc/45/74/08/459457408.db2.gz JPSCAKUZMZSQBC-OALUTQOASA-N 2 2 340.471 3.130 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866919 459457413 /nfs/dbraw/zinc/45/74/13/459457413.db2.gz JPSCAKUZMZSQBC-OALUTQOASA-N 2 2 340.471 3.130 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866992 459457779 /nfs/dbraw/zinc/45/77/79/459457779.db2.gz LMQILMUJICKUIE-GJZGRUSLSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866992 459457784 /nfs/dbraw/zinc/45/77/84/459457784.db2.gz LMQILMUJICKUIE-GJZGRUSLSA-N 2 2 344.484 3.269 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591868344 459460426 /nfs/dbraw/zinc/46/04/26/459460426.db2.gz XHVMZGYTXQTNMQ-AEFFLSMTSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000591868344 459460429 /nfs/dbraw/zinc/46/04/29/459460429.db2.gz XHVMZGYTXQTNMQ-AEFFLSMTSA-N 2 2 326.444 3.164 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735641 459484654 /nfs/dbraw/zinc/48/46/54/459484654.db2.gz ZSGVCMGHGQPUDN-RTWAWAEBSA-N 2 2 339.483 3.149 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000541735641 459484657 /nfs/dbraw/zinc/48/46/57/459484657.db2.gz ZSGVCMGHGQPUDN-RTWAWAEBSA-N 2 2 339.483 3.149 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000572916240 459594318 /nfs/dbraw/zinc/59/43/18/459594318.db2.gz YUHGYEVOTKOTGA-LBPRGKRZSA-N 2 2 331.273 3.449 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000572916240 459594323 /nfs/dbraw/zinc/59/43/23/459594323.db2.gz YUHGYEVOTKOTGA-LBPRGKRZSA-N 2 2 331.273 3.449 20 0 EGADLP Cc1cccc2[nH+]cc(CNc3ccccc3C[NH+]3CCOCC3)n21 ZINC000562646192 459610212 /nfs/dbraw/zinc/61/02/12/459610212.db2.gz LIYOWBJRZAXYKD-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000584166911 459670249 /nfs/dbraw/zinc/67/02/49/459670249.db2.gz PQDWBNCGDBWCNY-CEXWTWQISA-N 2 2 336.414 3.383 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598703 459673658 /nfs/dbraw/zinc/67/36/58/459673658.db2.gz FSDLSILVMJRQKO-UHOSZYNNSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598703 459673662 /nfs/dbraw/zinc/67/36/62/459673662.db2.gz FSDLSILVMJRQKO-UHOSZYNNSA-N 2 2 326.488 3.371 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000527637849 459680601 /nfs/dbraw/zinc/68/06/01/459680601.db2.gz PJCYOXPBEVMYKC-JTQLQIEISA-N 2 2 345.231 3.301 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1F ZINC000527637849 459680606 /nfs/dbraw/zinc/68/06/06/459680606.db2.gz PJCYOXPBEVMYKC-JTQLQIEISA-N 2 2 345.231 3.301 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000562958924 459680834 /nfs/dbraw/zinc/68/08/34/459680834.db2.gz BFPOOTMBTHQKQY-DNVCBOLYSA-N 2 2 329.488 3.436 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000563014316 459695979 /nfs/dbraw/zinc/69/59/79/459695979.db2.gz SQDRODJWZXCJRN-VXKWHMMOSA-N 2 2 338.495 3.090 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000563014316 459695983 /nfs/dbraw/zinc/69/59/83/459695983.db2.gz SQDRODJWZXCJRN-VXKWHMMOSA-N 2 2 338.495 3.090 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1C ZINC000573579082 459701181 /nfs/dbraw/zinc/70/11/81/459701181.db2.gz NWCHIJQWJXUKGJ-AWEZNQCLSA-N 2 2 349.438 3.227 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(F)ccc(F)c2Cl)CCCO1 ZINC000527699672 459705643 /nfs/dbraw/zinc/70/56/43/459705643.db2.gz JHKSDTJEGDULMX-LBPRGKRZSA-N 2 2 332.822 3.209 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(F)ccc(F)c2Cl)CCCO1 ZINC000527699672 459705646 /nfs/dbraw/zinc/70/56/46/459705646.db2.gz JHKSDTJEGDULMX-LBPRGKRZSA-N 2 2 332.822 3.209 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(F)ccc(F)c2Cl)CCCO1 ZINC000527699670 459706029 /nfs/dbraw/zinc/70/60/29/459706029.db2.gz JHKSDTJEGDULMX-GFCCVEGCSA-N 2 2 332.822 3.209 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(F)ccc(F)c2Cl)CCCO1 ZINC000527699670 459706037 /nfs/dbraw/zinc/70/60/37/459706037.db2.gz JHKSDTJEGDULMX-GFCCVEGCSA-N 2 2 332.822 3.209 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563111896 459716717 /nfs/dbraw/zinc/71/67/17/459716717.db2.gz KXLPVNCINRKKCE-CXAGYDPISA-N 2 2 334.826 3.052 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]Cc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563111896 459716720 /nfs/dbraw/zinc/71/67/20/459716720.db2.gz KXLPVNCINRKKCE-CXAGYDPISA-N 2 2 334.826 3.052 20 0 EGADLP COc1cccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)OC)c1 ZINC000527740519 459721507 /nfs/dbraw/zinc/72/15/07/459721507.db2.gz TXBSJOWPPYATJV-FQEVSTJZSA-N 2 2 337.423 3.358 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000573719349 459724071 /nfs/dbraw/zinc/72/40/71/459724071.db2.gz JCNKYEXKWRGFLG-UHFFFAOYSA-N 2 2 334.423 3.019 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc4[nH]ccc4c3)[nH+]c2)CC1 ZINC000584480306 459751706 /nfs/dbraw/zinc/75/17/06/459751706.db2.gz XQNUREMPWBTPAG-UHFFFAOYSA-N 2 2 349.482 3.127 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000574003845 459767414 /nfs/dbraw/zinc/76/74/14/459767414.db2.gz CZYWERKNUHPLIS-KBXCAEBGSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000574003845 459767417 /nfs/dbraw/zinc/76/74/17/459767417.db2.gz CZYWERKNUHPLIS-KBXCAEBGSA-N 2 2 333.451 3.149 20 0 EGADLP CC(C)c1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c1 ZINC000527908777 459770658 /nfs/dbraw/zinc/77/06/58/459770658.db2.gz FNFKKZSXYFPMLY-JNAXZKDPSA-N 2 2 340.471 3.214 20 0 EGADLP O[C@H]1CC[N@H+](Cc2ccccc2CNc2[nH+]ccc3ccccc32)C1 ZINC000527958488 459782310 /nfs/dbraw/zinc/78/23/10/459782310.db2.gz SYCDHFFXZQWFSP-IBGZPJMESA-N 2 2 333.435 3.414 20 0 EGADLP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2[nH+]ccc3ccccc32)C1 ZINC000527958488 459782316 /nfs/dbraw/zinc/78/23/16/459782316.db2.gz SYCDHFFXZQWFSP-IBGZPJMESA-N 2 2 333.435 3.414 20 0 EGADLP c1ccc(C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010784 459795584 /nfs/dbraw/zinc/79/55/84/459795584.db2.gz JQIYIFPWYUABAW-LEWJYISDSA-N 2 2 336.483 3.367 20 0 EGADLP c1ccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010784 459795587 /nfs/dbraw/zinc/79/55/87/459795587.db2.gz JQIYIFPWYUABAW-LEWJYISDSA-N 2 2 336.483 3.367 20 0 EGADLP C[NH+](C)C[C@@](C)(O)CNc1ccc2c(Cl)c3c([nH+]c2c1)CCCC3 ZINC000574818515 459876766 /nfs/dbraw/zinc/87/67/66/459876766.db2.gz YCGSBEODYCMUBJ-IBGZPJMESA-N 2 2 347.890 3.492 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000597235823 459888725 /nfs/dbraw/zinc/88/87/25/459888725.db2.gz JQUMZGAVCJMJAP-HKUYNNGSSA-N 2 2 327.428 3.084 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000574970146 459902284 /nfs/dbraw/zinc/90/22/84/459902284.db2.gz RUUWKVRLMHPXPG-MRXNPFEDSA-N 2 2 343.402 3.011 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)Cn1cccn1 ZINC000575174975 459941330 /nfs/dbraw/zinc/94/13/30/459941330.db2.gz PQAPNEQSEMMSQI-MRXNPFEDSA-N 2 2 346.906 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+](Cc2ccccc2)C1 ZINC000575219242 459951997 /nfs/dbraw/zinc/95/19/97/459951997.db2.gz ZTYJRRQBPIUKTJ-PMXSJFBMSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000575219242 459951999 /nfs/dbraw/zinc/95/19/99/459951999.db2.gz ZTYJRRQBPIUKTJ-PMXSJFBMSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686845 459968323 /nfs/dbraw/zinc/96/83/23/459968323.db2.gz COOWREAQGNBYTJ-HNAYVOBHSA-N 2 2 332.875 3.484 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000588686845 459968329 /nfs/dbraw/zinc/96/83/29/459968329.db2.gz COOWREAQGNBYTJ-HNAYVOBHSA-N 2 2 332.875 3.484 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690555 459971177 /nfs/dbraw/zinc/97/11/77/459971177.db2.gz ZPRUBXAQUXECBV-YOEHRIQHSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690555 459971183 /nfs/dbraw/zinc/97/11/83/459971183.db2.gz ZPRUBXAQUXECBV-YOEHRIQHSA-N 2 2 334.410 3.108 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000599020813 460129550 /nfs/dbraw/zinc/12/95/50/460129550.db2.gz YBNCRDAWZPROSG-LYBXBRPPSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599020813 460129556 /nfs/dbraw/zinc/12/95/56/460129556.db2.gz YBNCRDAWZPROSG-LYBXBRPPSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)CC1CCC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000599024776 460130772 /nfs/dbraw/zinc/13/07/72/460130772.db2.gz VLVFDOKGACHCEQ-UHFFFAOYSA-N 2 2 329.444 3.207 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000576576707 460171885 /nfs/dbraw/zinc/17/18/85/460171885.db2.gz KJCTVLKAPSRLAP-QWFCFKBJSA-N 2 2 347.478 3.033 20 0 EGADLP Fc1ccccc1COc1ccc(C[N@@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000625437868 460172400 /nfs/dbraw/zinc/17/24/00/460172400.db2.gz VNKFBMGDPPUVDY-UHFFFAOYSA-N 2 2 338.386 3.081 20 0 EGADLP Fc1ccccc1COc1ccc(C[N@H+]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000625437868 460172406 /nfs/dbraw/zinc/17/24/06/460172406.db2.gz VNKFBMGDPPUVDY-UHFFFAOYSA-N 2 2 338.386 3.081 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000576741951 460203004 /nfs/dbraw/zinc/20/30/04/460203004.db2.gz OUKSZSOIJCYGET-OAQYLSRUSA-N 2 2 340.511 3.480 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000576741951 460203007 /nfs/dbraw/zinc/20/30/07/460203007.db2.gz OUKSZSOIJCYGET-OAQYLSRUSA-N 2 2 340.511 3.480 20 0 EGADLP O=C1C[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)Oc2ccccc21 ZINC000625803090 460270636 /nfs/dbraw/zinc/27/06/36/460270636.db2.gz NOTHAVZYOOGJEI-OAQYLSRUSA-N 2 2 342.483 3.362 20 0 EGADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C2CC2)CC1 ZINC000603556791 460321544 /nfs/dbraw/zinc/32/15/44/460321544.db2.gz MHBHFJBZSOWTCJ-TVPLGVNVSA-N 2 2 344.503 3.090 20 0 EGADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C2CC2)CC1 ZINC000603556791 460321547 /nfs/dbraw/zinc/32/15/47/460321547.db2.gz MHBHFJBZSOWTCJ-TVPLGVNVSA-N 2 2 344.503 3.090 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000626089446 460367087 /nfs/dbraw/zinc/36/70/87/460367087.db2.gz QYKODICRKDLDLR-UHFFFAOYSA-N 2 2 338.442 3.084 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000623088768 460408843 /nfs/dbraw/zinc/40/88/43/460408843.db2.gz CXPHVHWRQIOJFO-UHFFFAOYSA-N 2 2 340.443 3.205 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000619900649 460466877 /nfs/dbraw/zinc/46/68/77/460466877.db2.gz XLGYDSOIHMNCDC-KRWDZBQOSA-N 2 2 339.439 3.396 20 0 EGADLP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C1 ZINC000619900649 460466878 /nfs/dbraw/zinc/46/68/78/460466878.db2.gz XLGYDSOIHMNCDC-KRWDZBQOSA-N 2 2 339.439 3.396 20 0 EGADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1F ZINC000634678960 460471313 /nfs/dbraw/zinc/47/13/13/460471313.db2.gz HYZPCYNDYLXPCN-GOSISDBHSA-N 2 2 326.431 3.098 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c[nH+]1 ZINC000616117046 460476536 /nfs/dbraw/zinc/47/65/36/460476536.db2.gz YQZQKSSUJMIMHE-HXUWFJFHSA-N 2 2 337.467 3.194 20 0 EGADLP Cc1cc(N2CCC[NH2+]CC2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000634807571 460531755 /nfs/dbraw/zinc/53/17/55/460531755.db2.gz SQDJZPGTAYIDKU-UHFFFAOYSA-N 2 2 347.260 3.014 20 0 EGADLP Cc1cc(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(C)[nH+]1 ZINC000616364560 460537696 /nfs/dbraw/zinc/53/76/96/460537696.db2.gz JVDCCLGPBLDTFO-FQEVSTJZSA-N 2 2 337.467 3.194 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3scnc32)[C@@H](C)C1 ZINC000623894841 460766492 /nfs/dbraw/zinc/76/64/92/460766492.db2.gz CDQQMFCZDAWCNF-JYJNAYRXSA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3scnc32)[C@@H](C)C1 ZINC000623894841 460766499 /nfs/dbraw/zinc/76/64/99/460766499.db2.gz CDQQMFCZDAWCNF-JYJNAYRXSA-N 2 2 337.533 3.247 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559028 460806774 /nfs/dbraw/zinc/80/67/74/460806774.db2.gz BZWOSMPIZOGUED-HUUCEWRRSA-N 2 2 329.410 3.473 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559028 460806780 /nfs/dbraw/zinc/80/67/80/460806780.db2.gz BZWOSMPIZOGUED-HUUCEWRRSA-N 2 2 329.410 3.473 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632724868 460809259 /nfs/dbraw/zinc/80/92/59/460809259.db2.gz VFUKKMMATGXKTJ-UHFFFAOYSA-N 2 2 328.460 3.271 20 0 EGADLP CC(C)([NH3+])C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000629649862 460845636 /nfs/dbraw/zinc/84/56/36/460845636.db2.gz INLKQMSVBXPYFJ-ZDUSSCGKSA-N 2 2 329.307 3.353 20 0 EGADLP CC(C)([NH3+])C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000629649862 460845645 /nfs/dbraw/zinc/84/56/45/460845645.db2.gz INLKQMSVBXPYFJ-ZDUSSCGKSA-N 2 2 329.307 3.353 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629652789 460847652 /nfs/dbraw/zinc/84/76/52/460847652.db2.gz BYGYXMYHZXLCJT-ZIAGYGMSSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629652789 460847659 /nfs/dbraw/zinc/84/76/59/460847659.db2.gz BYGYXMYHZXLCJT-ZIAGYGMSSA-N 2 2 346.393 3.053 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000629651309 460847884 /nfs/dbraw/zinc/84/78/84/460847884.db2.gz NTXRQMZDLOKLFT-UHFFFAOYSA-N 2 2 331.847 3.373 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000629651309 460847892 /nfs/dbraw/zinc/84/78/92/460847892.db2.gz NTXRQMZDLOKLFT-UHFFFAOYSA-N 2 2 331.847 3.373 20 0 EGADLP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000624112817 460865841 /nfs/dbraw/zinc/86/58/41/460865841.db2.gz MKPGEOYQHODIKL-UHFFFAOYSA-N 2 2 338.499 3.317 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000624188019 460902377 /nfs/dbraw/zinc/90/23/77/460902377.db2.gz UGJJFBIXNBSPFT-IEBWSBKVSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2ccccc21 ZINC000624188019 460902380 /nfs/dbraw/zinc/90/23/80/460902380.db2.gz UGJJFBIXNBSPFT-IEBWSBKVSA-N 2 2 327.472 3.091 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788613 460925045 /nfs/dbraw/zinc/92/50/45/460925045.db2.gz UOUIWQCCNFKQBI-DOTOQJQBSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788613 460925048 /nfs/dbraw/zinc/92/50/48/460925048.db2.gz UOUIWQCCNFKQBI-DOTOQJQBSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000635810784 460934391 /nfs/dbraw/zinc/93/43/91/460934391.db2.gz JTKBLBUHQYIYPY-BEFAXECRSA-N 2 2 336.439 3.064 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)ccc1Cl ZINC000635892959 460966246 /nfs/dbraw/zinc/96/62/46/460966246.db2.gz GKHMONQPDDTESE-QGZVFWFLSA-N 2 2 335.879 3.357 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)ccc1Cl ZINC000635892959 460966255 /nfs/dbraw/zinc/96/62/55/460966255.db2.gz GKHMONQPDDTESE-QGZVFWFLSA-N 2 2 335.879 3.357 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000630072446 461014212 /nfs/dbraw/zinc/01/42/12/461014212.db2.gz KYMGOWVOUIWEQK-UHFFFAOYSA-N 3 2 327.516 3.173 20 0 EGADLP CCC1([NH+]2CCOCC2)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000624703843 461096341 /nfs/dbraw/zinc/09/63/41/461096341.db2.gz KDRPROQRNYENSW-UHFFFAOYSA-N 2 2 343.446 3.455 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)ccc1F ZINC000652351508 461146663 /nfs/dbraw/zinc/14/66/63/461146663.db2.gz BUDKJSZBNNIUOO-WTANOLMUSA-N 2 2 344.434 3.306 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)ccc1F ZINC000652351508 461146668 /nfs/dbraw/zinc/14/66/68/461146668.db2.gz BUDKJSZBNNIUOO-WTANOLMUSA-N 2 2 344.434 3.306 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269979 461156836 /nfs/dbraw/zinc/15/68/36/461156836.db2.gz FVFFDOKJCSJIBL-FPOVZHCZSA-N 3 2 340.515 3.025 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000662269979 461156843 /nfs/dbraw/zinc/15/68/43/461156843.db2.gz FVFFDOKJCSJIBL-FPOVZHCZSA-N 3 2 340.515 3.025 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccnn2CC2CC2)Cc2ccccc2)CC1 ZINC000668171438 461157422 /nfs/dbraw/zinc/15/74/22/461157422.db2.gz MZZZWBLPRIHJIC-UHFFFAOYSA-N 2 2 338.499 3.390 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccnn2CC2CC2)Cc2ccccc2)CC1 ZINC000668171438 461157433 /nfs/dbraw/zinc/15/74/33/461157433.db2.gz MZZZWBLPRIHJIC-UHFFFAOYSA-N 2 2 338.499 3.390 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294702 461172473 /nfs/dbraw/zinc/17/24/73/461172473.db2.gz SBAFVEOUAYOLNV-QGZVFWFLSA-N 2 2 332.492 3.329 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294702 461172480 /nfs/dbraw/zinc/17/24/80/461172480.db2.gz SBAFVEOUAYOLNV-QGZVFWFLSA-N 2 2 332.492 3.329 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000646291646 461173197 /nfs/dbraw/zinc/17/31/97/461173197.db2.gz ZCFQICOEVXRMDF-MRXNPFEDSA-N 2 2 342.487 3.136 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000649574459 461187411 /nfs/dbraw/zinc/18/74/11/461187411.db2.gz LOESRDMFXJJRAJ-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(OCc2ccccn2)c1 ZINC000649574459 461187416 /nfs/dbraw/zinc/18/74/16/461187416.db2.gz LOESRDMFXJJRAJ-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP CC[C@@H](OCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000649585938 461195505 /nfs/dbraw/zinc/19/55/05/461195505.db2.gz LJGWHLBBCOPIMD-LJQANCHMSA-N 2 2 340.471 3.075 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000638018004 461199464 /nfs/dbraw/zinc/19/94/64/461199464.db2.gz KZBUOTULMKDTKY-AWEZNQCLSA-N 2 2 335.835 3.391 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000638018004 461199469 /nfs/dbraw/zinc/19/94/69/461199469.db2.gz KZBUOTULMKDTKY-AWEZNQCLSA-N 2 2 335.835 3.391 20 0 EGADLP CC[C@@H](OCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649601380 461211219 /nfs/dbraw/zinc/21/12/19/461211219.db2.gz MCZMMWOCFKKTDV-PZJWPPBQSA-N 2 2 346.515 3.199 20 0 EGADLP CC[C@@H](OCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649601380 461211229 /nfs/dbraw/zinc/21/12/29/461211229.db2.gz MCZMMWOCFKKTDV-PZJWPPBQSA-N 2 2 346.515 3.199 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603773 461214154 /nfs/dbraw/zinc/21/41/54/461214154.db2.gz CTIKZEKCYVMWQT-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603773 461214160 /nfs/dbraw/zinc/21/41/60/461214160.db2.gz CTIKZEKCYVMWQT-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603773 461214168 /nfs/dbraw/zinc/21/41/68/461214168.db2.gz CTIKZEKCYVMWQT-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc(C)n(C)n3)C2)s1 ZINC000649603773 461214175 /nfs/dbraw/zinc/21/41/75/461214175.db2.gz CTIKZEKCYVMWQT-INIZCTEOSA-N 2 2 332.517 3.052 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614711 461221543 /nfs/dbraw/zinc/22/15/43/461221543.db2.gz ZAYDNHHRQWWVDY-JKSUJKDBSA-N 2 2 342.443 3.193 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)o1 ZINC000649614711 461221547 /nfs/dbraw/zinc/22/15/47/461221547.db2.gz ZAYDNHHRQWWVDY-JKSUJKDBSA-N 2 2 342.443 3.193 20 0 EGADLP CC1(C)CC(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC(C)(C)[NH2+]1 ZINC000630636822 461231867 /nfs/dbraw/zinc/23/18/67/461231867.db2.gz RKZWUVXHUOMYOR-UHFFFAOYSA-N 2 2 326.444 3.116 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000649695938 461279953 /nfs/dbraw/zinc/27/99/53/461279953.db2.gz OLHWQVMHSXVLQO-UHFFFAOYSA-N 2 2 339.270 3.321 20 0 EGADLP CC(C)O[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702719 461288721 /nfs/dbraw/zinc/28/87/21/461288721.db2.gz LQFHQHQBSFYQOP-NHCUHLMSSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702719 461288729 /nfs/dbraw/zinc/28/87/29/461288729.db2.gz LQFHQHQBSFYQOP-NHCUHLMSSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702719 461288740 /nfs/dbraw/zinc/28/87/40/461288740.db2.gz LQFHQHQBSFYQOP-NHCUHLMSSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702719 461288748 /nfs/dbraw/zinc/28/87/48/461288748.db2.gz LQFHQHQBSFYQOP-NHCUHLMSSA-N 2 2 346.515 3.167 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H](OC)C1CCOCC1)c1ccccc1 ZINC000638287244 461347472 /nfs/dbraw/zinc/34/74/72/461347472.db2.gz SKPAYZSJRGXNRM-UXHICEINSA-N 2 2 334.504 3.101 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)o2)cc1 ZINC000655686731 461362413 /nfs/dbraw/zinc/36/24/13/461362413.db2.gz BNVZDAJIEOQTGD-SFHVURJKSA-N 2 2 344.430 3.429 20 0 EGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655690558 461364486 /nfs/dbraw/zinc/36/44/86/461364486.db2.gz DERYSBDXEMAKHH-VQIMIIECSA-N 2 2 332.488 3.378 20 0 EGADLP Cc1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655715115 461385549 /nfs/dbraw/zinc/38/55/49/461385549.db2.gz GYHAYIFDFYECHM-KRWDZBQOSA-N 2 2 328.456 3.474 20 0 EGADLP Cc1csc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)n1 ZINC000655720538 461389235 /nfs/dbraw/zinc/38/92/35/461389235.db2.gz YYLFKPJZFAJGAS-DLBZAZTESA-N 2 2 335.517 3.136 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655721383 461391557 /nfs/dbraw/zinc/39/15/57/461391557.db2.gz OMJYRYDVTJIJBL-AKCHCHLHSA-N 2 2 332.463 3.292 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1Cl ZINC000655729530 461396569 /nfs/dbraw/zinc/39/65/69/461396569.db2.gz BQNPKEBBHJBTCD-TZMCWYRMSA-N 2 2 326.843 3.383 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398189 /nfs/dbraw/zinc/39/81/89/461398189.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398191 /nfs/dbraw/zinc/39/81/91/461398191.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398193 /nfs/dbraw/zinc/39/81/93/461398193.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382207 461398195 /nfs/dbraw/zinc/39/81/95/461398195.db2.gz TWJDDKWPUBUWSB-YFVAEKQCSA-N 3 2 327.516 3.286 20 0 EGADLP Cc1cc([NH+]2CCCC2)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737498 461405922 /nfs/dbraw/zinc/40/59/22/461405922.db2.gz BYMFOIUGUSDNDT-IBGZPJMESA-N 2 2 329.488 3.260 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000668740529 461408937 /nfs/dbraw/zinc/40/89/37/461408937.db2.gz JMVCNVXNEVARFI-GOSISDBHSA-N 2 2 344.430 3.117 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)o3)CC2)C1 ZINC000668740529 461408942 /nfs/dbraw/zinc/40/89/42/461408942.db2.gz JMVCNVXNEVARFI-GOSISDBHSA-N 2 2 344.430 3.117 20 0 EGADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)o2)cc1 ZINC000668741559 461410579 /nfs/dbraw/zinc/41/05/79/461410579.db2.gz UKGVXGZMYHOPIH-LJQANCHMSA-N 2 2 340.467 3.286 20 0 EGADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)o2)cc1 ZINC000668741559 461410590 /nfs/dbraw/zinc/41/05/90/461410590.db2.gz UKGVXGZMYHOPIH-LJQANCHMSA-N 2 2 340.467 3.286 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000668740550 461410895 /nfs/dbraw/zinc/41/08/95/461410895.db2.gz JSHHQUUQUOXNBL-LJQANCHMSA-N 2 2 344.499 3.039 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)C1 ZINC000668740550 461410901 /nfs/dbraw/zinc/41/09/01/461410901.db2.gz JSHHQUUQUOXNBL-LJQANCHMSA-N 2 2 344.499 3.039 20 0 EGADLP COc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000638447143 461430711 /nfs/dbraw/zinc/43/07/11/461430711.db2.gz FDFTWIHNZDDYNV-ZDUSSCGKSA-N 2 2 337.514 3.215 20 0 EGADLP COc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000638447143 461430717 /nfs/dbraw/zinc/43/07/17/461430717.db2.gz FDFTWIHNZDDYNV-ZDUSSCGKSA-N 2 2 337.514 3.215 20 0 EGADLP CC(C)=CCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659864152 461465492 /nfs/dbraw/zinc/46/54/92/461465492.db2.gz JTFOVXAELQCBEH-HXUWFJFHSA-N 2 2 342.531 3.272 20 0 EGADLP CC(C)=CCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000659864152 461465500 /nfs/dbraw/zinc/46/55/00/461465500.db2.gz JTFOVXAELQCBEH-HXUWFJFHSA-N 2 2 342.531 3.272 20 0 EGADLP CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075222 461489859 /nfs/dbraw/zinc/48/98/59/461489859.db2.gz KAQKPXFZIUIACF-OAHLLOKOSA-N 2 2 346.302 3.009 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000631040612 461494681 /nfs/dbraw/zinc/49/46/81/461494681.db2.gz KDCYPKBNVTYVOD-UHFFFAOYSA-N 2 2 347.528 3.096 20 0 EGADLP Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653088147 461495027 /nfs/dbraw/zinc/49/50/27/461495027.db2.gz SROXHDOAEKXCHE-KRWDZBQOSA-N 2 2 327.428 3.005 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496133 /nfs/dbraw/zinc/49/61/33/461496133.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496137 /nfs/dbraw/zinc/49/61/37/461496137.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496141 /nfs/dbraw/zinc/49/61/41/461496141.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587422 461496144 /nfs/dbraw/zinc/49/61/44/461496144.db2.gz CKXMLQISTJQCFT-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)sn1 ZINC000638671923 461528433 /nfs/dbraw/zinc/52/84/33/461528433.db2.gz UQWKPUZVYNAYTK-MLGOLLRUSA-N 2 2 337.514 3.386 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)sn1 ZINC000638671923 461528441 /nfs/dbraw/zinc/52/84/41/461528441.db2.gz UQWKPUZVYNAYTK-MLGOLLRUSA-N 2 2 337.514 3.386 20 0 EGADLP CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653158016 461528699 /nfs/dbraw/zinc/52/86/99/461528699.db2.gz SWWIJUGNORRQAX-OALUTQOASA-N 2 2 331.504 3.143 20 0 EGADLP Brc1ccc2[nH+]c(NCc3c[nH+]c4n3CCC4)[nH]c2c1 ZINC000663255771 461529601 /nfs/dbraw/zinc/52/96/01/461529601.db2.gz IUTKQLKOQDKFHN-UHFFFAOYSA-N 2 2 332.205 3.080 20 0 EGADLP Brc1ccc2[nH]c(NCc3c[nH+]c4n3CCC4)[nH+]c2c1 ZINC000663255771 461529607 /nfs/dbraw/zinc/52/96/07/461529607.db2.gz IUTKQLKOQDKFHN-UHFFFAOYSA-N 2 2 332.205 3.080 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(Oc3cc[nH+]cc3)c1)C2 ZINC000653194571 461549704 /nfs/dbraw/zinc/54/97/04/461549704.db2.gz NMHMBCCAFSIEJR-JXFKEZNVSA-N 2 2 337.423 3.075 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345012 461573797 /nfs/dbraw/zinc/57/37/97/461573797.db2.gz FEUPWRFEQDRLBP-OAHLLOKOSA-N 2 2 346.906 3.438 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345012 461573805 /nfs/dbraw/zinc/57/38/05/461573805.db2.gz FEUPWRFEQDRLBP-OAHLLOKOSA-N 2 2 346.906 3.438 20 0 EGADLP Brc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663347258 461576865 /nfs/dbraw/zinc/57/68/65/461576865.db2.gz IFGUUCRZNITSHI-CYBMUJFWSA-N 2 2 327.266 3.254 20 0 EGADLP Brc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663347258 461576875 /nfs/dbraw/zinc/57/68/75/461576875.db2.gz IFGUUCRZNITSHI-CYBMUJFWSA-N 2 2 327.266 3.254 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)N(C)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000663360688 461588836 /nfs/dbraw/zinc/58/88/36/461588836.db2.gz NYPGHLHZONDFMU-GOSISDBHSA-N 2 2 339.483 3.150 20 0 EGADLP C[C@H](C[NH2+]CCC(=O)N(C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000663360688 461588848 /nfs/dbraw/zinc/58/88/48/461588848.db2.gz NYPGHLHZONDFMU-GOSISDBHSA-N 2 2 339.483 3.150 20 0 EGADLP OCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1F ZINC000647250257 461592693 /nfs/dbraw/zinc/59/26/93/461592693.db2.gz TXSRNJCKLNPOAF-MRXNPFEDSA-N 2 2 348.384 3.256 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[NH+](Cc2cccs2)CC1 ZINC000656105955 461593436 /nfs/dbraw/zinc/59/34/36/461593436.db2.gz ZQJXIEQXXWWFTD-UHFFFAOYSA-N 2 2 344.484 3.055 20 0 EGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC000643044953 461596736 /nfs/dbraw/zinc/59/67/36/461596736.db2.gz ZYXDDYXIHBKLDZ-HUUCEWRRSA-N 2 2 335.455 3.327 20 0 EGADLP CCOc1cc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)ccc1OC ZINC000647262155 461597471 /nfs/dbraw/zinc/59/74/71/461597471.db2.gz GFRABPOTMRPSSJ-UHFFFAOYSA-N 2 2 339.439 3.382 20 0 EGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC000643044950 461597518 /nfs/dbraw/zinc/59/75/18/461597518.db2.gz ZYXDDYXIHBKLDZ-CABCVRRESA-N 2 2 335.455 3.327 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650189307 461630271 /nfs/dbraw/zinc/63/02/71/461630271.db2.gz CCMSBINXJDALCT-GOSISDBHSA-N 2 2 338.455 3.089 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650189307 461630282 /nfs/dbraw/zinc/63/02/82/461630282.db2.gz CCMSBINXJDALCT-GOSISDBHSA-N 2 2 338.455 3.089 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000656198507 461644724 /nfs/dbraw/zinc/64/47/24/461644724.db2.gz AOSOUTAEVYHQHY-QZWWFDLISA-N 2 2 347.507 3.089 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3nc4ccccc4n3C)cn21 ZINC000647364071 461659332 /nfs/dbraw/zinc/65/93/32/461659332.db2.gz RDIXPAVEHBEKNK-HNNXBMFYSA-N 2 2 333.439 3.423 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000663511228 461681462 /nfs/dbraw/zinc/68/14/62/461681462.db2.gz WKABSUPYFKOHQV-MRVPVSSYSA-N 2 2 325.172 3.165 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000660298304 461696927 /nfs/dbraw/zinc/69/69/27/461696927.db2.gz UAFRNXCGHMZFNM-QGZVFWFLSA-N 2 2 338.442 3.145 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000660298304 461696933 /nfs/dbraw/zinc/69/69/33/461696933.db2.gz UAFRNXCGHMZFNM-QGZVFWFLSA-N 2 2 338.442 3.145 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000643346727 461697950 /nfs/dbraw/zinc/69/79/50/461697950.db2.gz VEXCCXVAHMNZMO-ZDUSSCGKSA-N 2 2 328.859 3.111 20 0 EGADLP COc1nc(C)cc(C)c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643374864 461711561 /nfs/dbraw/zinc/71/15/61/461711561.db2.gz RLDGRDVAIJNWIK-UHFFFAOYSA-N 2 2 345.409 3.213 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)[NH+](C)C ZINC000639090524 461720178 /nfs/dbraw/zinc/72/01/78/461720178.db2.gz IDAZECGHYKXDAF-YZLZLFLDSA-N 2 2 331.504 3.023 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000643456740 461732672 /nfs/dbraw/zinc/73/26/72/461732672.db2.gz UBIAHHUUOITFQS-NBHGPNQESA-N 2 2 340.467 3.141 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)c(C)c2c1 ZINC000643461773 461735812 /nfs/dbraw/zinc/73/58/12/461735812.db2.gz OXTOCYBULBTYKY-VHDGCEQUSA-N 2 2 332.444 3.167 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000663669685 461745712 /nfs/dbraw/zinc/74/57/12/461745712.db2.gz CBPNXPUBAOOVJJ-MRXNPFEDSA-N 2 2 325.460 3.388 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000663669685 461745721 /nfs/dbraw/zinc/74/57/21/461745721.db2.gz CBPNXPUBAOOVJJ-MRXNPFEDSA-N 2 2 325.460 3.388 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000653592337 461746661 /nfs/dbraw/zinc/74/66/61/461746661.db2.gz WCOPJZWZSIUCPS-HNNXBMFYSA-N 2 2 338.411 3.073 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)on2)cc1 ZINC000653592337 461746669 /nfs/dbraw/zinc/74/66/69/461746669.db2.gz WCOPJZWZSIUCPS-HNNXBMFYSA-N 2 2 338.411 3.073 20 0 EGADLP [NH3+][C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccccc1 ZINC000643508877 461748626 /nfs/dbraw/zinc/74/86/26/461748626.db2.gz LZSNWSYCNFZHQC-NCYVPVAZSA-N 2 2 335.451 3.109 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)C1 ZINC000643538357 461758291 /nfs/dbraw/zinc/75/82/91/461758291.db2.gz HURCERCLACLJIJ-YDHLFZDLSA-N 2 2 332.341 3.326 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000643547010 461759040 /nfs/dbraw/zinc/75/90/40/461759040.db2.gz YICNFDAUMWXQHS-CZUORRHYSA-N 2 2 343.450 3.040 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547562 461760573 /nfs/dbraw/zinc/76/05/73/461760573.db2.gz HAXXKDIGYOXYJT-IRXDYDNUSA-N 2 2 344.890 3.427 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(C(F)(F)F)s1 ZINC000660416760 461764719 /nfs/dbraw/zinc/76/47/19/461764719.db2.gz OPCZSWJAYUSWOG-UHFFFAOYSA-N 2 2 347.410 3.228 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(C(F)(F)F)s1 ZINC000660416760 461764727 /nfs/dbraw/zinc/76/47/27/461764727.db2.gz OPCZSWJAYUSWOG-UHFFFAOYSA-N 2 2 347.410 3.228 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000663775374 461799713 /nfs/dbraw/zinc/79/97/13/461799713.db2.gz PWLFHNJNGJJYEA-HUUCEWRRSA-N 2 2 340.471 3.078 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000663775374 461799721 /nfs/dbraw/zinc/79/97/21/461799721.db2.gz PWLFHNJNGJJYEA-HUUCEWRRSA-N 2 2 340.471 3.078 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660474833 461801098 /nfs/dbraw/zinc/80/10/98/461801098.db2.gz MXKFHOKKMFNRDJ-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660474833 461801101 /nfs/dbraw/zinc/80/11/01/461801101.db2.gz MXKFHOKKMFNRDJ-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)C ZINC000639207220 461803643 /nfs/dbraw/zinc/80/36/43/461803643.db2.gz ZHNREDQYWLUJCN-SXLOBPIMSA-N 2 2 343.515 3.105 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(C)C ZINC000639207220 461803649 /nfs/dbraw/zinc/80/36/49/461803649.db2.gz ZHNREDQYWLUJCN-SXLOBPIMSA-N 2 2 343.515 3.105 20 0 EGADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222044 461811787 /nfs/dbraw/zinc/81/17/87/461811787.db2.gz OCBAHSDKIZUGNV-WBVHZDCISA-N 2 2 328.485 3.304 20 0 EGADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639222044 461811790 /nfs/dbraw/zinc/81/17/90/461811790.db2.gz OCBAHSDKIZUGNV-WBVHZDCISA-N 2 2 328.485 3.304 20 0 EGADLP FC(F)c1nc(C2([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CCC2)no1 ZINC000656630576 461813057 /nfs/dbraw/zinc/81/30/57/461813057.db2.gz ZNGFTYNSWCTXHM-UHFFFAOYSA-N 2 2 349.385 3.040 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[NH+](C)C ZINC000656681286 461838195 /nfs/dbraw/zinc/83/81/95/461838195.db2.gz COCFTKDCCDUEKK-DNVCBOLYSA-N 2 2 343.446 3.435 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666856572 461838732 /nfs/dbraw/zinc/83/87/32/461838732.db2.gz RBCFAESKSNXXSC-OAHLLOKOSA-N 2 2 331.485 3.262 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCC[NH3+])c1 ZINC000647850108 461857661 /nfs/dbraw/zinc/85/76/61/461857661.db2.gz DWYKAJYKLONXKU-IBGZPJMESA-N 2 2 325.456 3.264 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCC[NH3+])c1 ZINC000647850108 461857669 /nfs/dbraw/zinc/85/76/69/461857669.db2.gz DWYKAJYKLONXKU-IBGZPJMESA-N 2 2 325.456 3.264 20 0 EGADLP c1csc([C@@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)c1 ZINC000647848876 461857871 /nfs/dbraw/zinc/85/78/71/461857871.db2.gz XLWRHWSTOYOENM-OAHLLOKOSA-N 2 2 328.441 3.110 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000666922699 461870053 /nfs/dbraw/zinc/87/00/53/461870053.db2.gz PJOHTFNUOCHKEK-ZBFHGGJFSA-N 2 2 345.487 3.254 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000666954339 461886299 /nfs/dbraw/zinc/88/62/99/461886299.db2.gz USVBMGOPVNGLSQ-SFHVURJKSA-N 3 2 333.907 3.036 20 0 EGADLP CC(C)[NH2+]C1(CO)CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000663957368 461887493 /nfs/dbraw/zinc/88/74/93/461887493.db2.gz GVSWMRBZEYNPPX-UHFFFAOYSA-N 2 2 334.508 3.053 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000647937214 461893844 /nfs/dbraw/zinc/89/38/44/461893844.db2.gz SPHCVNVOYLAMJF-XNRPHZJLSA-N 2 2 348.878 3.434 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000647937214 461893853 /nfs/dbraw/zinc/89/38/53/461893853.db2.gz SPHCVNVOYLAMJF-XNRPHZJLSA-N 2 2 348.878 3.434 20 0 EGADLP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)CC(C)(C)[NH3+] ZINC000656785357 461895978 /nfs/dbraw/zinc/89/59/78/461895978.db2.gz NSTSQMQMHVMSMZ-UHFFFAOYSA-N 2 2 335.455 3.103 20 0 EGADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)CC(C)(C)[NH3+] ZINC000656785357 461895984 /nfs/dbraw/zinc/89/59/84/461895984.db2.gz NSTSQMQMHVMSMZ-UHFFFAOYSA-N 2 2 335.455 3.103 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938964 461896411 /nfs/dbraw/zinc/89/64/11/461896411.db2.gz XVHNHHJMRYEWQP-NSISKUIASA-N 2 2 337.467 3.426 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938964 461896418 /nfs/dbraw/zinc/89/64/18/461896418.db2.gz XVHNHHJMRYEWQP-NSISKUIASA-N 2 2 337.467 3.426 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993891 461903327 /nfs/dbraw/zinc/90/33/27/461903327.db2.gz RJFGUBARWSEPET-LLVKDONJSA-N 2 2 327.241 3.353 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653758 461904816 /nfs/dbraw/zinc/90/48/16/461904816.db2.gz AHNZRAXNZMMTIE-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653758 461904823 /nfs/dbraw/zinc/90/48/23/461904823.db2.gz AHNZRAXNZMMTIE-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660653758 461904830 /nfs/dbraw/zinc/90/48/30/461904830.db2.gz AHNZRAXNZMMTIE-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660653758 461904837 /nfs/dbraw/zinc/90/48/37/461904837.db2.gz AHNZRAXNZMMTIE-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Br)[C@@H]1CC[NH3+] ZINC000650711019 461905230 /nfs/dbraw/zinc/90/52/30/461905230.db2.gz GLODCMNLWYCQDK-IAQYHMDHSA-N 2 2 327.266 3.104 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)[C@@H]1CC[NH3+] ZINC000650711019 461905233 /nfs/dbraw/zinc/90/52/33/461905233.db2.gz GLODCMNLWYCQDK-IAQYHMDHSA-N 2 2 327.266 3.104 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000647977227 461918370 /nfs/dbraw/zinc/91/83/70/461918370.db2.gz QGKMKISFQHBEIQ-SFHVURJKSA-N 2 2 338.455 3.403 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000647977227 461918376 /nfs/dbraw/zinc/91/83/76/461918376.db2.gz QGKMKISFQHBEIQ-SFHVURJKSA-N 2 2 338.455 3.403 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2F)n1C ZINC000648057275 461962126 /nfs/dbraw/zinc/96/21/26/461962126.db2.gz NIFNVAPEECOHSZ-IBGZPJMESA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2F)n1C ZINC000648057275 461962128 /nfs/dbraw/zinc/96/21/28/461962128.db2.gz NIFNVAPEECOHSZ-IBGZPJMESA-N 2 2 330.451 3.222 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000657298903 462026350 /nfs/dbraw/zinc/02/63/50/462026350.db2.gz RPRFECWMUCWNLW-UHFFFAOYSA-N 2 2 332.414 3.183 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000657298903 462026355 /nfs/dbraw/zinc/02/63/55/462026355.db2.gz RPRFECWMUCWNLW-UHFFFAOYSA-N 2 2 332.414 3.183 20 0 EGADLP Fc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000657318634 462042003 /nfs/dbraw/zinc/04/20/03/462042003.db2.gz MDJWJCLSGKYBJT-UHFFFAOYSA-N 2 2 328.378 3.391 20 0 EGADLP Cc1c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cnn1-c1ccc(F)cc1 ZINC000657336558 462055830 /nfs/dbraw/zinc/05/58/30/462055830.db2.gz TWQYEVCIXYVIRD-ZDUSSCGKSA-N 2 2 339.418 3.313 20 0 EGADLP Brc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657351488 462066014 /nfs/dbraw/zinc/06/60/14/462066014.db2.gz PBVLXACVMYGCIA-OAHLLOKOSA-N 2 2 332.245 3.369 20 0 EGADLP COc1cccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CCCC2)c1 ZINC000657355216 462067350 /nfs/dbraw/zinc/06/73/50/462067350.db2.gz GJWUMLGNRJXNNZ-UHFFFAOYSA-N 2 2 325.456 3.440 20 0 EGADLP Fc1ccccc1Oc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccn1 ZINC000657452111 462133865 /nfs/dbraw/zinc/13/38/65/462133865.db2.gz NVHYYNKRSRIGKE-UHFFFAOYSA-N 2 2 338.386 3.446 20 0 EGADLP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1F ZINC000667565582 462145706 /nfs/dbraw/zinc/14/57/06/462145706.db2.gz ZWZWPTSFLQHAIE-UHFFFAOYSA-N 2 2 342.405 3.038 20 0 EGADLP C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667563289 462145987 /nfs/dbraw/zinc/14/59/87/462145987.db2.gz YXTZCEJRBGQUAV-INIZCTEOSA-N 2 2 336.483 3.245 20 0 EGADLP Cc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000664680069 462147750 /nfs/dbraw/zinc/14/77/50/462147750.db2.gz MYMQPSODMPMKNY-KRWDZBQOSA-N 2 2 337.471 3.381 20 0 EGADLP Cc1cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000664680069 462147762 /nfs/dbraw/zinc/14/77/62/462147762.db2.gz MYMQPSODMPMKNY-KRWDZBQOSA-N 2 2 337.471 3.381 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000639988029 462206815 /nfs/dbraw/zinc/20/68/15/462206815.db2.gz MKRISXPXTMBKSJ-QGZVFWFLSA-N 2 2 335.536 3.164 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657743118 462248909 /nfs/dbraw/zinc/24/89/09/462248909.db2.gz ZQFVLJXZBNCNPF-GOSISDBHSA-N 2 2 335.923 3.378 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000657743118 462248912 /nfs/dbraw/zinc/24/89/12/462248912.db2.gz ZQFVLJXZBNCNPF-GOSISDBHSA-N 2 2 335.923 3.378 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@H](c4cccnc4)C3)c2)c[nH+]1 ZINC000648759313 462265613 /nfs/dbraw/zinc/26/56/13/462265613.db2.gz YNNILILTNFRDLM-QAPCUYQASA-N 2 2 340.452 3.339 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000654530539 462270274 /nfs/dbraw/zinc/27/02/74/462270274.db2.gz OXXFZFBDNMNTLE-JKSUJKDBSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000654530539 462270280 /nfs/dbraw/zinc/27/02/80/462270280.db2.gz OXXFZFBDNMNTLE-JKSUJKDBSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000654530539 462270287 /nfs/dbraw/zinc/27/02/87/462270287.db2.gz OXXFZFBDNMNTLE-JKSUJKDBSA-N 2 2 340.471 3.459 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000654530539 462270294 /nfs/dbraw/zinc/27/02/94/462270294.db2.gz OXXFZFBDNMNTLE-JKSUJKDBSA-N 2 2 340.471 3.459 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780438 462275495 /nfs/dbraw/zinc/27/54/95/462275495.db2.gz JDIFQOYQIZAQCB-MSOLQXFVSA-N 2 2 335.536 3.044 20 0 EGADLP CC(C)=CCC[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780438 462275499 /nfs/dbraw/zinc/27/54/99/462275499.db2.gz JDIFQOYQIZAQCB-MSOLQXFVSA-N 2 2 335.536 3.044 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000651810635 462345677 /nfs/dbraw/zinc/34/56/77/462345677.db2.gz ZJJWQXMPIUCDDR-QGZVFWFLSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000651810635 462345678 /nfs/dbraw/zinc/34/56/78/462345678.db2.gz ZJJWQXMPIUCDDR-QGZVFWFLSA-N 2 2 335.455 3.212 20 0 EGADLP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000665242724 462366089 /nfs/dbraw/zinc/36/60/89/462366089.db2.gz ILVDCVDPIXLUIG-CHIMOYNISA-N 2 2 327.291 3.184 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000668004613 462369337 /nfs/dbraw/zinc/36/93/37/462369337.db2.gz HTGSKDOHVZKCIN-ZWKOTPCHSA-N 2 2 340.471 3.167 20 0 EGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000665254371 462370882 /nfs/dbraw/zinc/37/08/82/462370882.db2.gz OUJKMLWQEYVEAM-OTWHNJEPSA-N 2 2 325.431 3.333 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089595 462378766 /nfs/dbraw/zinc/37/87/66/462378766.db2.gz ABWVUHPRLKHXPO-IRXDYDNUSA-N 2 2 334.504 3.487 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089595 462378773 /nfs/dbraw/zinc/37/87/73/462378773.db2.gz ABWVUHPRLKHXPO-IRXDYDNUSA-N 2 2 334.504 3.487 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)[C@@H]1CCC[NH2+]1 ZINC000665294783 462388650 /nfs/dbraw/zinc/38/86/50/462388650.db2.gz WNTLOSTZHZFYRT-ZCNNSNEGSA-N 2 2 332.488 3.002 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000658186597 462423047 /nfs/dbraw/zinc/42/30/47/462423047.db2.gz IBPNRNMZZTVXRN-RDTXWAMCSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)[C@H](C)C1 ZINC000658186597 462423051 /nfs/dbraw/zinc/42/30/51/462423051.db2.gz IBPNRNMZZTVXRN-RDTXWAMCSA-N 2 2 329.444 3.170 20 0 EGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000645849908 462444095 /nfs/dbraw/zinc/44/40/95/462444095.db2.gz POEKTDRJXAUQLL-QGZVFWFLSA-N 2 2 338.373 3.358 20 0 EGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000645849908 462444101 /nfs/dbraw/zinc/44/41/01/462444101.db2.gz POEKTDRJXAUQLL-QGZVFWFLSA-N 2 2 338.373 3.358 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000652151159 462452924 /nfs/dbraw/zinc/45/29/24/462452924.db2.gz KRCOKSYGOHIQGN-OXJNMPFZSA-N 2 2 325.456 3.111 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652151159 462452931 /nfs/dbraw/zinc/45/29/31/462452931.db2.gz KRCOKSYGOHIQGN-OXJNMPFZSA-N 2 2 325.456 3.111 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287046 462455748 /nfs/dbraw/zinc/45/57/48/462455748.db2.gz FSVPZCXWAVMKFR-LSDHHAIUSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287046 462455752 /nfs/dbraw/zinc/45/57/52/462455752.db2.gz FSVPZCXWAVMKFR-LSDHHAIUSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283813 462456461 /nfs/dbraw/zinc/45/64/61/462456461.db2.gz DDIBJSQTDAMUTE-GJZGRUSLSA-N 2 2 327.472 3.108 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283813 462456467 /nfs/dbraw/zinc/45/64/67/462456467.db2.gz DDIBJSQTDAMUTE-GJZGRUSLSA-N 2 2 327.472 3.108 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287848 462457647 /nfs/dbraw/zinc/45/76/47/462457647.db2.gz OADMDQDZBAPEHI-HOCLYGCPSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287848 462457652 /nfs/dbraw/zinc/45/76/52/462457652.db2.gz OADMDQDZBAPEHI-HOCLYGCPSA-N 2 2 337.895 3.439 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293342 462460631 /nfs/dbraw/zinc/46/06/31/462460631.db2.gz FUGIQNOWFZIIRK-RTWAWAEBSA-N 2 2 328.500 3.159 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4[NH2+]CC4(C)C)cc3)[nH+]c12 ZINC000649300642 462472465 /nfs/dbraw/zinc/47/24/65/462472465.db2.gz GBLDULCJDKOMOC-QGZVFWFLSA-N 2 2 334.423 3.246 20 0 EGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649315354 462477211 /nfs/dbraw/zinc/47/72/11/462477211.db2.gz AVIKJESKFVIDFV-LBPRGKRZSA-N 2 2 334.370 3.014 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000658330165 462479887 /nfs/dbraw/zinc/47/98/87/462479887.db2.gz QQVUEORRZLSIQH-DZFGPLHGSA-N 2 2 345.531 3.477 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000658330165 462479891 /nfs/dbraw/zinc/47/98/91/462479891.db2.gz QQVUEORRZLSIQH-DZFGPLHGSA-N 2 2 345.531 3.477 20 0 EGADLP O=C1CCCC12CC[NH+](CCC[NH+]1CCC3(CCCC3=O)CC1)CC2 ZINC000661958462 462488417 /nfs/dbraw/zinc/48/84/17/462488417.db2.gz SVMJFPDGJLYVIZ-UHFFFAOYSA-N 2 2 346.515 3.047 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000649401585 462500279 /nfs/dbraw/zinc/50/02/79/462500279.db2.gz GWLISQDNLJBOHM-QFBILLFUSA-N 2 2 325.456 3.123 20 0 EGADLP CC(C)[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000646048484 462503221 /nfs/dbraw/zinc/50/32/21/462503221.db2.gz QCLLPXNFTBYZCW-HXUWFJFHSA-N 2 2 326.488 3.258 20 0 EGADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000646048484 462503224 /nfs/dbraw/zinc/50/32/24/462503224.db2.gz QCLLPXNFTBYZCW-HXUWFJFHSA-N 2 2 326.488 3.258 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Cl)cc1Cl)CCO2 ZINC000646103356 462518593 /nfs/dbraw/zinc/51/85/93/462518593.db2.gz PGTYQHYPBDUZRY-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Cl)cc1Cl)CCO2 ZINC000646103356 462518594 /nfs/dbraw/zinc/51/85/94/462518594.db2.gz PGTYQHYPBDUZRY-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)cc(Cl)c1)CCO2 ZINC000646106729 462519379 /nfs/dbraw/zinc/51/93/79/462519379.db2.gz OGULQYHUJWDHJV-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)cc(Cl)c1)CCO2 ZINC000646106729 462519382 /nfs/dbraw/zinc/51/93/82/462519382.db2.gz OGULQYHUJWDHJV-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP OCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188010320 534373501 /nfs/dbraw/zinc/37/35/01/534373501.db2.gz QSJOBXOZYVYPND-VQIMIIECSA-N 2 2 336.907 3.445 20 0 EGADLP CC1CC[NH+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000187709234 528242178 /nfs/dbraw/zinc/24/21/78/528242178.db2.gz NCIZYSRGATXVOX-GOSISDBHSA-N 2 2 330.451 3.350 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000246815782 534957520 /nfs/dbraw/zinc/95/75/20/534957520.db2.gz AVTQVXPDJICUPS-GDBMZVCRSA-N 2 2 345.466 3.097 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000246815782 534957523 /nfs/dbraw/zinc/95/75/23/534957523.db2.gz AVTQVXPDJICUPS-GDBMZVCRSA-N 2 2 345.466 3.097 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173642863 536097386 /nfs/dbraw/zinc/09/73/86/536097386.db2.gz DKIZQCHZECJPCT-PKOBYXMFSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173642863 536097391 /nfs/dbraw/zinc/09/73/91/536097391.db2.gz DKIZQCHZECJPCT-PKOBYXMFSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173642863 536097396 /nfs/dbraw/zinc/09/73/96/536097396.db2.gz DKIZQCHZECJPCT-PKOBYXMFSA-N 2 2 347.503 3.219 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173642863 536097400 /nfs/dbraw/zinc/09/74/00/536097400.db2.gz DKIZQCHZECJPCT-PKOBYXMFSA-N 2 2 347.503 3.219 20 0 EGADLP c1cn(-c2cc(Nc3cccc(CC[NH+]4CCCC4)c3)ncn2)c[nH+]1 ZINC000091982429 546669271 /nfs/dbraw/zinc/66/92/71/546669271.db2.gz MZASXOKTGVMPEF-UHFFFAOYSA-N 2 2 334.427 3.044 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594812 546958544 /nfs/dbraw/zinc/95/85/44/546958544.db2.gz AXVJNWZAEJSQGT-GHTZIAJQSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594812 546958547 /nfs/dbraw/zinc/95/85/47/546958547.db2.gz AXVJNWZAEJSQGT-GHTZIAJQSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166626759 546989604 /nfs/dbraw/zinc/98/96/04/546989604.db2.gz YHXAFNJHSSXPJX-DUXKGJEZSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166626759 546989607 /nfs/dbraw/zinc/98/96/07/546989607.db2.gz YHXAFNJHSSXPJX-DUXKGJEZSA-N 3 2 327.516 3.428 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)CC1 ZINC000189136150 547156005 /nfs/dbraw/zinc/15/60/05/547156005.db2.gz IRYJXGPJKJQJKG-UHFFFAOYSA-N 2 2 326.444 3.213 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)CC1 ZINC000189136150 547156007 /nfs/dbraw/zinc/15/60/07/547156007.db2.gz IRYJXGPJKJQJKG-UHFFFAOYSA-N 2 2 326.444 3.213 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccccc1Cl ZINC000339072627 547567865 /nfs/dbraw/zinc/56/78/65/547567865.db2.gz XIYDARVDSHVCSV-HLLBOEOZSA-N 2 2 347.890 3.052 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccccc1Cl ZINC000339072627 547567869 /nfs/dbraw/zinc/56/78/69/547567869.db2.gz XIYDARVDSHVCSV-HLLBOEOZSA-N 2 2 347.890 3.052 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000357447595 547737881 /nfs/dbraw/zinc/73/78/81/547737881.db2.gz XWNHMTWCGIJTMY-LJQANCHMSA-N 2 2 332.407 3.085 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000357447595 547737890 /nfs/dbraw/zinc/73/78/90/547737890.db2.gz XWNHMTWCGIJTMY-LJQANCHMSA-N 2 2 332.407 3.085 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358043947 547742392 /nfs/dbraw/zinc/74/23/92/547742392.db2.gz XFZRHKNPOMUAJT-MRXNPFEDSA-N 2 2 337.423 3.094 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[NH2+][C@H]4C)cc3)[nH+]c12 ZINC000521230758 548024500 /nfs/dbraw/zinc/02/45/00/548024500.db2.gz OUWYCKWUIFADKE-YOEHRIQHSA-N 2 2 334.423 3.246 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@@H]2C1 ZINC000671307946 548276102 /nfs/dbraw/zinc/27/61/02/548276102.db2.gz NPUJZNUIYLQXGU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@@H]2C1 ZINC000671307946 548276105 /nfs/dbraw/zinc/27/61/05/548276105.db2.gz NPUJZNUIYLQXGU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@@H]2C1 ZINC000671307946 548276108 /nfs/dbraw/zinc/27/61/08/548276108.db2.gz NPUJZNUIYLQXGU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C[C@@H]2C1 ZINC000671307946 548276111 /nfs/dbraw/zinc/27/61/11/548276111.db2.gz NPUJZNUIYLQXGU-OKILXGFUSA-N 2 2 333.888 3.457 20 0 EGADLP CC1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)CO1 ZINC000671681940 548332499 /nfs/dbraw/zinc/33/24/99/548332499.db2.gz XYMWPCKYNAUAPC-UHFFFAOYSA-N 2 2 345.531 3.088 20 0 EGADLP CC1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)CO1 ZINC000671681940 548332502 /nfs/dbraw/zinc/33/25/02/548332502.db2.gz XYMWPCKYNAUAPC-UHFFFAOYSA-N 2 2 345.531 3.088 20 0 EGADLP C[NH+](C)CCCOc1cnccc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000673497286 548567703 /nfs/dbraw/zinc/56/77/03/548567703.db2.gz ZXUMEZVYMWJAQG-UHFFFAOYSA-N 2 2 343.475 3.112 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC(C)C)[C@@H](C)C1 ZINC000675750730 548974500 /nfs/dbraw/zinc/97/45/00/548974500.db2.gz QHEWCARJGKAKPB-PKOBYXMFSA-N 2 2 349.519 3.095 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2OC(C)C)[C@@H](C)C1 ZINC000675750730 548974504 /nfs/dbraw/zinc/97/45/04/548974504.db2.gz QHEWCARJGKAKPB-PKOBYXMFSA-N 2 2 349.519 3.095 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000675887574 548997377 /nfs/dbraw/zinc/99/73/77/548997377.db2.gz AZVSBRVKQUBPME-HNNXBMFYSA-N 2 2 341.390 3.218 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)ccc1F ZINC000675887574 548997381 /nfs/dbraw/zinc/99/73/81/548997381.db2.gz AZVSBRVKQUBPME-HNNXBMFYSA-N 2 2 341.390 3.218 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000676476953 549094134 /nfs/dbraw/zinc/09/41/34/549094134.db2.gz CUDYIPHLKMXMJB-AWEZNQCLSA-N 2 2 333.819 3.145 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000676476953 549094138 /nfs/dbraw/zinc/09/41/38/549094138.db2.gz CUDYIPHLKMXMJB-AWEZNQCLSA-N 2 2 333.819 3.145 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000676491260 549096482 /nfs/dbraw/zinc/09/64/82/549096482.db2.gz YRKXUQVINZLASE-CQSZACIVSA-N 2 2 345.512 3.443 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000676643477 549121541 /nfs/dbraw/zinc/12/15/41/549121541.db2.gz LBPYTQYZYOXMRN-HNNXBMFYSA-N 2 2 335.455 3.273 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)s1 ZINC000676838897 549164577 /nfs/dbraw/zinc/16/45/77/549164577.db2.gz HOPGMBVXPDBLRE-ZDUSSCGKSA-N 2 2 330.501 3.470 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000678080641 549393164 /nfs/dbraw/zinc/39/31/64/549393164.db2.gz LASQGEMWMGGUTG-DOTOQJQBSA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000678080641 549393168 /nfs/dbraw/zinc/39/31/68/549393168.db2.gz LASQGEMWMGGUTG-DOTOQJQBSA-N 2 2 337.427 3.325 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cn[nH]c1 ZINC000678124473 549401439 /nfs/dbraw/zinc/40/14/39/549401439.db2.gz CARCLCQBGKUHOR-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cn[nH]c1 ZINC000678124473 549401441 /nfs/dbraw/zinc/40/14/41/549401441.db2.gz CARCLCQBGKUHOR-UHFFFAOYSA-N 2 2 339.443 3.097 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000678281213 549457787 /nfs/dbraw/zinc/45/77/87/549457787.db2.gz VCSCKLNTTYOBNV-NRFANRHFSA-N 2 2 340.467 3.201 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000678281213 549457793 /nfs/dbraw/zinc/45/77/93/549457793.db2.gz VCSCKLNTTYOBNV-NRFANRHFSA-N 2 2 340.467 3.201 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cscc3Cl)CC2)CC1 ZINC000678296155 549463225 /nfs/dbraw/zinc/46/32/25/549463225.db2.gz RBKVTECGBWRJMW-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cscc3Cl)CC2)CC1 ZINC000678296155 549463229 /nfs/dbraw/zinc/46/32/29/549463229.db2.gz RBKVTECGBWRJMW-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000678339731 549472746 /nfs/dbraw/zinc/47/27/46/549472746.db2.gz NVHNWQFGKWRBJR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000678339731 549472750 /nfs/dbraw/zinc/47/27/50/549472750.db2.gz NVHNWQFGKWRBJR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000678339731 549472752 /nfs/dbraw/zinc/47/27/52/549472752.db2.gz NVHNWQFGKWRBJR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000678339731 549472756 /nfs/dbraw/zinc/47/27/56/549472756.db2.gz NVHNWQFGKWRBJR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP CC(C)[C@@H](O)C1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930215 549598262 /nfs/dbraw/zinc/59/82/62/549598262.db2.gz HJNXMNYCHMKKJL-RTBURBONSA-N 2 2 330.516 3.426 20 0 EGADLP CC(C)[C@@H](O)C1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930215 549598267 /nfs/dbraw/zinc/59/82/67/549598267.db2.gz HJNXMNYCHMKKJL-RTBURBONSA-N 2 2 330.516 3.426 20 0 EGADLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)n1 ZINC000679078725 549630573 /nfs/dbraw/zinc/63/05/73/549630573.db2.gz DEZHKNUDNBVHJG-FUHWJXTLSA-N 2 2 339.487 3.407 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000679388935 549702473 /nfs/dbraw/zinc/70/24/73/549702473.db2.gz XSDULUFXRQHDJT-LJQANCHMSA-N 2 2 332.463 3.462 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000679730254 549769853 /nfs/dbraw/zinc/76/98/53/549769853.db2.gz RYBPDHBKHCYJJF-HNNXBMFYSA-N 2 2 337.458 3.398 20 0 EGADLP CCc1nnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000680051489 549811571 /nfs/dbraw/zinc/81/15/71/549811571.db2.gz SWSMLFSEOKUKGJ-UHFFFAOYSA-N 2 2 344.528 3.445 20 0 EGADLP CCc1nnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000680051489 549811573 /nfs/dbraw/zinc/81/15/73/549811573.db2.gz SWSMLFSEOKUKGJ-UHFFFAOYSA-N 2 2 344.528 3.445 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc4ccccc4[nH]3)[nH+]c2)C1 ZINC000683922822 550273915 /nfs/dbraw/zinc/27/39/15/550273915.db2.gz MUNPMPQVAUXAHP-GOSISDBHSA-N 2 2 335.455 3.315 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000684378225 550321982 /nfs/dbraw/zinc/32/19/82/550321982.db2.gz WQQHMRQADVYDNT-RKVPGOIHSA-N 2 2 332.488 3.270 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000684378225 550321984 /nfs/dbraw/zinc/32/19/84/550321984.db2.gz WQQHMRQADVYDNT-RKVPGOIHSA-N 2 2 332.488 3.270 20 0 EGADLP Cn1nc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000684413009 550327076 /nfs/dbraw/zinc/32/70/76/550327076.db2.gz KSESXSLCWZRSSP-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1nc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000684413009 550327078 /nfs/dbraw/zinc/32/70/78/550327078.db2.gz KSESXSLCWZRSSP-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1nc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000684413009 550327080 /nfs/dbraw/zinc/32/70/80/550327080.db2.gz KSESXSLCWZRSSP-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1nc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000684413009 550327081 /nfs/dbraw/zinc/32/70/81/550327081.db2.gz KSESXSLCWZRSSP-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000685307784 550409616 /nfs/dbraw/zinc/40/96/16/550409616.db2.gz VVYRCSZYINGERI-GOSISDBHSA-N 2 2 349.438 3.032 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)O[C@H](C)C2 ZINC000685443840 550417384 /nfs/dbraw/zinc/41/73/84/550417384.db2.gz ZPIOTQFHSJMPJB-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)O[C@H](C)C2 ZINC000685443840 550417385 /nfs/dbraw/zinc/41/73/85/550417385.db2.gz ZPIOTQFHSJMPJB-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(cc1C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)O[C@H](C)C2 ZINC000685443840 550417386 /nfs/dbraw/zinc/41/73/86/550417386.db2.gz ZPIOTQFHSJMPJB-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP COc1cc2c(cc1C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O[C@H](C)C2 ZINC000685443840 550417387 /nfs/dbraw/zinc/41/73/87/550417387.db2.gz ZPIOTQFHSJMPJB-DTWYCDNDSA-N 2 2 330.472 3.076 20 0 EGADLP CN(Cc1cscc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457145 550419220 /nfs/dbraw/zinc/41/92/20/550419220.db2.gz GGORYNCVSBYKPW-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP CN(Cc1cscc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457145 550419222 /nfs/dbraw/zinc/41/92/22/550419222.db2.gz GGORYNCVSBYKPW-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP C[N@H+](Cc1cscc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457145 550419223 /nfs/dbraw/zinc/41/92/23/550419223.db2.gz GGORYNCVSBYKPW-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP C[N@@H+](Cc1cscc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457145 550419225 /nfs/dbraw/zinc/41/92/25/550419225.db2.gz GGORYNCVSBYKPW-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470716 550421410 /nfs/dbraw/zinc/42/14/10/550421410.db2.gz KZMJEGIVSIXNND-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470716 550421412 /nfs/dbraw/zinc/42/14/12/550421412.db2.gz KZMJEGIVSIXNND-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470716 550421415 /nfs/dbraw/zinc/42/14/15/550421415.db2.gz KZMJEGIVSIXNND-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470716 550421418 /nfs/dbraw/zinc/42/14/18/550421418.db2.gz KZMJEGIVSIXNND-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OCc1ccccc1 ZINC000731030296 575045126 /nfs/dbraw/zinc/04/51/26/575045126.db2.gz DPZLUZVKOXCCLR-UHFFFAOYSA-N 2 2 344.499 3.318 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000742385651 576777190 /nfs/dbraw/zinc/77/71/90/576777190.db2.gz NOHANRWRFVJXPO-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@H](C)C1 ZINC000742385651 576777192 /nfs/dbraw/zinc/77/71/92/576777192.db2.gz NOHANRWRFVJXPO-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000060815018 1291944013 /nfs/dbraw/zinc/94/40/13/1291944013.db2.gz QYAOZANMFBKRHA-UHFFFAOYSA-N 2 2 340.467 3.458 20 0 EGADLP O=C(c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1)N1CCCC1 ZINC000080973716 1292632044 /nfs/dbraw/zinc/63/20/44/1292632044.db2.gz IGJLHNLPHBBGOV-GOSISDBHSA-N 2 2 338.455 3.025 20 0 EGADLP O=C(c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1)N1CCCC1 ZINC000080973716 1292632058 /nfs/dbraw/zinc/63/20/58/1292632058.db2.gz IGJLHNLPHBBGOV-GOSISDBHSA-N 2 2 338.455 3.025 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108428899 1293080971 /nfs/dbraw/zinc/08/09/71/1293080971.db2.gz RXWYAEBHYDWCTQ-OAHLLOKOSA-N 2 2 332.879 3.266 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428899 1293080979 /nfs/dbraw/zinc/08/09/79/1293080979.db2.gz RXWYAEBHYDWCTQ-OAHLLOKOSA-N 2 2 332.879 3.266 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCc2ccccc21 ZINC000109016019 1293085734 /nfs/dbraw/zinc/08/57/34/1293085734.db2.gz NVHFUSWUOAEKIM-NRFANRHFSA-N 2 2 333.435 3.186 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(OC(F)F)c1 ZINC000114758401 1293176844 /nfs/dbraw/zinc/17/68/44/1293176844.db2.gz SMVYEHYALHZANA-UHFFFAOYSA-N 2 2 326.387 3.013 20 0 EGADLP C[C@@H]1CC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@@H](C)O1 ZINC000119442906 1293271096 /nfs/dbraw/zinc/27/10/96/1293271096.db2.gz LCKZVEHEBNBRHH-HZPDHXFCSA-N 2 2 331.504 3.267 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc(Cl)n2C)C1 ZINC000120834733 1293341518 /nfs/dbraw/zinc/34/15/18/1293341518.db2.gz VEKXWIRGQUUAFB-LBPRGKRZSA-N 2 2 333.307 3.185 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc(Cl)n2C)C1 ZINC000120834733 1293341522 /nfs/dbraw/zinc/34/15/22/1293341522.db2.gz VEKXWIRGQUUAFB-LBPRGKRZSA-N 2 2 333.307 3.185 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCOC1 ZINC000122352409 1293410291 /nfs/dbraw/zinc/41/02/91/1293410291.db2.gz FBLYNFNIDNBVJG-OXJNMPFZSA-N 2 2 331.504 3.126 20 0 EGADLP CCC(CC)(CCO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000155361987 1294094170 /nfs/dbraw/zinc/09/41/70/1294094170.db2.gz YIYHMITZMCZBKY-UHFFFAOYSA-N 2 2 347.547 3.500 20 0 EGADLP CC[C@H](C)[C@](C)(O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163839456 1294339911 /nfs/dbraw/zinc/33/99/11/1294339911.db2.gz QFHLKWMXOOSPJA-OXJNMPFZSA-N 2 2 333.520 3.108 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2cc1F ZINC000172957491 1294451580 /nfs/dbraw/zinc/45/15/80/1294451580.db2.gz CAHSHCGEWBQOKV-CQSZACIVSA-N 2 2 334.414 3.080 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2cc1F ZINC000172957491 1294451584 /nfs/dbraw/zinc/45/15/84/1294451584.db2.gz CAHSHCGEWBQOKV-CQSZACIVSA-N 2 2 334.414 3.080 20 0 EGADLP CCCc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000174624480 1294511333 /nfs/dbraw/zinc/51/13/33/1294511333.db2.gz KLFCFXNVUMMHJK-UHFFFAOYSA-N 2 2 346.519 3.129 20 0 EGADLP CCCc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000174624480 1294511339 /nfs/dbraw/zinc/51/13/39/1294511339.db2.gz KLFCFXNVUMMHJK-UHFFFAOYSA-N 2 2 346.519 3.129 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1O ZINC000185404354 1295261752 /nfs/dbraw/zinc/26/17/52/1295261752.db2.gz MAONPHIJOUNKEB-VXGBXAGGSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1O ZINC000185404354 1295261756 /nfs/dbraw/zinc/26/17/56/1295261756.db2.gz MAONPHIJOUNKEB-VXGBXAGGSA-N 2 2 327.266 3.147 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000189988650 1295556392 /nfs/dbraw/zinc/55/63/92/1295556392.db2.gz NUEOBIBLQABNDO-HUUCEWRRSA-N 2 2 344.459 3.436 20 0 EGADLP c1cn(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347394 1296348852 /nfs/dbraw/zinc/34/88/52/1296348852.db2.gz MGMJXDQXNDCUKN-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347394 1296348862 /nfs/dbraw/zinc/34/88/62/1296348862.db2.gz MGMJXDQXNDCUKN-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347394 1296348874 /nfs/dbraw/zinc/34/88/74/1296348874.db2.gz MGMJXDQXNDCUKN-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347394 1296348888 /nfs/dbraw/zinc/34/88/88/1296348888.db2.gz MGMJXDQXNDCUKN-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000304205751 1296904617 /nfs/dbraw/zinc/90/46/17/1296904617.db2.gz BSHAYXKEDPLYID-AUUYWEPGSA-N 2 2 325.387 3.223 20 0 EGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000305113258 1296980110 /nfs/dbraw/zinc/98/01/10/1296980110.db2.gz DSQOIYUJYIZAHR-ROUUACIJSA-N 2 2 340.870 3.337 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592290 1297019386 /nfs/dbraw/zinc/01/93/86/1297019386.db2.gz XLFOMDKAHWJLRX-APWZRJJASA-N 2 2 328.435 3.063 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592290 1297019393 /nfs/dbraw/zinc/01/93/93/1297019393.db2.gz XLFOMDKAHWJLRX-APWZRJJASA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592290 1297019404 /nfs/dbraw/zinc/01/94/04/1297019404.db2.gz XLFOMDKAHWJLRX-APWZRJJASA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592290 1297019419 /nfs/dbraw/zinc/01/94/19/1297019419.db2.gz XLFOMDKAHWJLRX-APWZRJJASA-N 2 2 328.435 3.063 20 0 EGADLP C[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309947775 1297079320 /nfs/dbraw/zinc/07/93/20/1297079320.db2.gz VVPJYWSVOIFGDQ-KLAILNCOSA-N 2 2 339.524 3.286 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203357 1297348503 /nfs/dbraw/zinc/34/85/03/1297348503.db2.gz YVTUYXVCCUVBPF-UHFFFAOYSA-N 2 2 349.887 3.118 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203357 1297348516 /nfs/dbraw/zinc/34/85/16/1297348516.db2.gz YVTUYXVCCUVBPF-UHFFFAOYSA-N 2 2 349.887 3.118 20 0 EGADLP Fc1cc(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)ccc1-n1cc[nH+]c1 ZINC000873211598 1297356559 /nfs/dbraw/zinc/35/65/59/1297356559.db2.gz PGKVIFMNBHITKK-UHFFFAOYSA-N 3 2 342.443 3.008 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376427172 1297518038 /nfs/dbraw/zinc/51/80/38/1297518038.db2.gz NUUKGKPGTFPPGE-KBPBESRZSA-N 2 2 346.862 3.280 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376427172 1297518040 /nfs/dbraw/zinc/51/80/40/1297518040.db2.gz NUUKGKPGTFPPGE-KBPBESRZSA-N 2 2 346.862 3.280 20 0 EGADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000382906554 1297566494 /nfs/dbraw/zinc/56/64/94/1297566494.db2.gz ODYOCDIGYJJULT-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000389260541 1297607099 /nfs/dbraw/zinc/60/70/99/1297607099.db2.gz OPUOZFJQMQLRHZ-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000389260541 1297607106 /nfs/dbraw/zinc/60/71/06/1297607106.db2.gz OPUOZFJQMQLRHZ-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(Br)c1F)C[NH+]1CCCC1 ZINC000395014069 1297682035 /nfs/dbraw/zinc/68/20/35/1297682035.db2.gz NBSWIZMXQDZBOO-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[C@@H]1[C@H]([NH2+]CCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000396721062 1297690568 /nfs/dbraw/zinc/69/05/68/1297690568.db2.gz QOIMAHZVWPBQCD-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C12CCC2 ZINC000453178157 1297891957 /nfs/dbraw/zinc/89/19/57/1297891957.db2.gz SBYYWTOJRHUPAC-ZYSHUDEJSA-N 2 2 329.488 3.154 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042947 1298307994 /nfs/dbraw/zinc/30/79/94/1298307994.db2.gz VWPNQFZGTRDDPZ-VAMGGRTRSA-N 2 2 328.500 3.444 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C12CCC2 ZINC000718042947 1298308008 /nfs/dbraw/zinc/30/80/08/1298308008.db2.gz VWPNQFZGTRDDPZ-VAMGGRTRSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000724030516 1298345156 /nfs/dbraw/zinc/34/51/56/1298345156.db2.gz UCASZODWSJYCTF-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(F)c3)C2)CC1 ZINC000748436059 1299007297 /nfs/dbraw/zinc/00/72/97/1299007297.db2.gz MHKGAJPZEBCSFZ-FXAWDEMLSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc(F)c3)C2)CC1 ZINC000748436059 1299007302 /nfs/dbraw/zinc/00/73/02/1299007302.db2.gz MHKGAJPZEBCSFZ-FXAWDEMLSA-N 2 2 334.479 3.303 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000749299264 1299188244 /nfs/dbraw/zinc/18/82/44/1299188244.db2.gz VIKKROVDTJBRGY-FXAWDEMLSA-N 2 2 327.472 3.152 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000749299264 1299188250 /nfs/dbraw/zinc/18/82/50/1299188250.db2.gz VIKKROVDTJBRGY-FXAWDEMLSA-N 2 2 327.472 3.152 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000749355828 1299200742 /nfs/dbraw/zinc/20/07/42/1299200742.db2.gz ULSDHBBCDPWJPJ-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000749355828 1299200756 /nfs/dbraw/zinc/20/07/56/1299200756.db2.gz ULSDHBBCDPWJPJ-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP Cc1ccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c(N(C)C)[nH+]1 ZINC000750399724 1299391312 /nfs/dbraw/zinc/39/13/12/1299391312.db2.gz SXMVTXPZNFHHDH-UHFFFAOYSA-N 2 2 347.507 3.042 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3Cc4cccnc4N4CCC[C@H]4C3)cc2)c[nH+]1 ZINC000877762881 1299540253 /nfs/dbraw/zinc/54/02/53/1299540253.db2.gz LSKJYWVARUGZMW-FQEVSTJZSA-N 2 2 345.450 3.252 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3Cc4cccnc4N4CCC[C@H]4C3)cc2)c[nH+]1 ZINC000877762881 1299540257 /nfs/dbraw/zinc/54/02/57/1299540257.db2.gz LSKJYWVARUGZMW-FQEVSTJZSA-N 2 2 345.450 3.252 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059320 1299731088 /nfs/dbraw/zinc/73/10/88/1299731088.db2.gz OWPRISUMRYXYTF-ZWKOTPCHSA-N 2 2 326.444 3.246 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059320 1299731095 /nfs/dbraw/zinc/73/10/95/1299731095.db2.gz OWPRISUMRYXYTF-ZWKOTPCHSA-N 2 2 326.444 3.246 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125637 1299763570 /nfs/dbraw/zinc/76/35/70/1299763570.db2.gz PORMUISCAGNTGN-HKUYNNGSSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125637 1299763577 /nfs/dbraw/zinc/76/35/77/1299763577.db2.gz PORMUISCAGNTGN-HKUYNNGSSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1noc(C2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000753372678 1299923849 /nfs/dbraw/zinc/92/38/49/1299923849.db2.gz HAMCKWMLSWWQPX-UHFFFAOYSA-N 2 2 337.427 3.380 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878667832 1300135317 /nfs/dbraw/zinc/13/53/17/1300135317.db2.gz CMXVFSCWBPXTGH-UXHICEINSA-N 2 2 346.515 3.122 20 0 EGADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137987 1300944375 /nfs/dbraw/zinc/94/43/75/1300944375.db2.gz OAQLRYZANABAAB-HOTGVXAUSA-N 2 2 328.378 3.296 20 0 EGADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137987 1300944380 /nfs/dbraw/zinc/94/43/80/1300944380.db2.gz OAQLRYZANABAAB-HOTGVXAUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137987 1300944389 /nfs/dbraw/zinc/94/43/89/1300944389.db2.gz OAQLRYZANABAAB-HOTGVXAUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137987 1300944401 /nfs/dbraw/zinc/94/44/01/1300944401.db2.gz OAQLRYZANABAAB-HOTGVXAUSA-N 2 2 328.378 3.296 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(Br)cc1F ZINC000759153185 1301027652 /nfs/dbraw/zinc/02/76/52/1301027652.db2.gz GKZMLMZFHPXDHT-UHFFFAOYSA-N 2 2 338.224 3.339 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)c2cc1C ZINC000880474648 1301136724 /nfs/dbraw/zinc/13/67/24/1301136724.db2.gz JPKZTRIURYBROH-UHFFFAOYSA-N 2 2 340.467 3.470 20 0 EGADLP C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCCCCC1 ZINC000882872621 1302141261 /nfs/dbraw/zinc/14/12/61/1302141261.db2.gz IYUSWUSNGVMJNK-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[NH+]1CCCCC1 ZINC000765252022 1302228706 /nfs/dbraw/zinc/22/87/06/1302228706.db2.gz PABFDRKWNBLNRA-ZGGTZUKQSA-N 2 2 341.499 3.283 20 0 EGADLP COCCc1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC000883397698 1302431763 /nfs/dbraw/zinc/43/17/63/1302431763.db2.gz SPMADWOIIOOJSS-QGZVFWFLSA-N 2 2 342.468 3.060 20 0 EGADLP CCn1nc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc21 ZINC000769910224 1303191102 /nfs/dbraw/zinc/19/11/02/1303191102.db2.gz SNPOFWBSPVHANV-SFHVURJKSA-N 2 2 325.460 3.457 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000885983403 1303308495 /nfs/dbraw/zinc/30/84/95/1303308495.db2.gz FPZKJVYDVRTTQM-IEBWSBKVSA-N 2 2 346.515 3.434 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)[nH+]c1C ZINC000886662712 1303543870 /nfs/dbraw/zinc/54/38/70/1303543870.db2.gz KIWUGDDRSXVHMJ-UHFFFAOYSA-N 2 2 340.475 3.210 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)CC2)[nH+]c1C ZINC000886672779 1303551463 /nfs/dbraw/zinc/55/14/63/1303551463.db2.gz VDLPVGINEGOYIL-QBIMZIAESA-N 2 2 346.519 3.289 20 0 EGADLP Cc1ncc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000773079244 1303620076 /nfs/dbraw/zinc/62/00/76/1303620076.db2.gz XTFYLPCYHHJMGU-UHFFFAOYSA-N 2 2 344.528 3.319 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408099 1303806046 /nfs/dbraw/zinc/80/60/46/1303806046.db2.gz FAEKIFLFAHNHIR-BBTUJRGHSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000774408099 1303806052 /nfs/dbraw/zinc/80/60/52/1303806052.db2.gz FAEKIFLFAHNHIR-BBTUJRGHSA-N 2 2 344.499 3.379 20 0 EGADLP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000774489901 1303817818 /nfs/dbraw/zinc/81/78/18/1303817818.db2.gz WUJBYKWNMBNELK-GJZGRUSLSA-N 2 2 346.462 3.065 20 0 EGADLP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000774489901 1303817825 /nfs/dbraw/zinc/81/78/25/1303817825.db2.gz WUJBYKWNMBNELK-GJZGRUSLSA-N 2 2 346.462 3.065 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000775369809 1303948260 /nfs/dbraw/zinc/94/82/60/1303948260.db2.gz RFUKFNGODNXBCM-DLBZAZTESA-N 3 2 344.503 3.473 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000775369812 1303948485 /nfs/dbraw/zinc/94/84/85/1303948485.db2.gz RFUKFNGODNXBCM-SJORKVTESA-N 3 2 344.503 3.473 20 0 EGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000775408437 1303959231 /nfs/dbraw/zinc/95/92/31/1303959231.db2.gz JXZCGFPAUYKRFF-QFBILLFUSA-N 2 2 330.472 3.485 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000776921392 1304219228 /nfs/dbraw/zinc/21/92/28/1304219228.db2.gz LGQVGXONNCEJBR-UHFFFAOYSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC000780739318 1304731922 /nfs/dbraw/zinc/73/19/22/1304731922.db2.gz KVZCHZRMHFPPHE-IAGOWNOFSA-N 2 2 331.504 3.444 20 0 EGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@@H]1CCCOC1 ZINC000780737607 1304732370 /nfs/dbraw/zinc/73/23/70/1304732370.db2.gz ALZMCZCYNWCOAU-DLBZAZTESA-N 2 2 331.504 3.444 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)CC3 ZINC000782762719 1305010404 /nfs/dbraw/zinc/01/04/04/1305010404.db2.gz CAGHNULGTDZHPT-LSDHHAIUSA-N 2 2 327.472 3.108 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)CC3 ZINC000782762719 1305010412 /nfs/dbraw/zinc/01/04/12/1305010412.db2.gz CAGHNULGTDZHPT-LSDHHAIUSA-N 2 2 327.472 3.108 20 0 EGADLP Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000891567508 1305092905 /nfs/dbraw/zinc/09/29/05/1305092905.db2.gz JVNXJZUJPHEIAP-QZTJIDSGSA-N 2 2 342.487 3.434 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000784254406 1305215853 /nfs/dbraw/zinc/21/58/53/1305215853.db2.gz LVTYJSCPDWCZKF-MRXNPFEDSA-N 2 2 342.405 3.299 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000784254406 1305215857 /nfs/dbraw/zinc/21/58/57/1305215857.db2.gz LVTYJSCPDWCZKF-MRXNPFEDSA-N 2 2 342.405 3.299 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892531710 1305427531 /nfs/dbraw/zinc/42/75/31/1305427531.db2.gz AOSHFSBDVHPPNJ-UHFFFAOYSA-N 2 2 335.439 3.458 20 0 EGADLP CCc1onc(C)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000892677345 1305502021 /nfs/dbraw/zinc/50/20/21/1305502021.db2.gz ZVBINCXGKILQOL-OAHLLOKOSA-N 2 2 343.471 3.056 20 0 EGADLP CCc1onc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000892677345 1305502030 /nfs/dbraw/zinc/50/20/30/1305502030.db2.gz ZVBINCXGKILQOL-OAHLLOKOSA-N 2 2 343.471 3.056 20 0 EGADLP CCC(O)(CC)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000788263701 1305911226 /nfs/dbraw/zinc/91/12/26/1305911226.db2.gz VMFIVWMZIZHSIT-UHFFFAOYSA-N 2 2 333.520 3.252 20 0 EGADLP Cc1cc(NC2CC[NH+](C3CCOCC3)CC2)nc(C2CCC2)[nH+]1 ZINC000894517501 1308933478 /nfs/dbraw/zinc/93/34/78/1308933478.db2.gz ZHLMGLCAZYFEBO-UHFFFAOYSA-N 2 2 330.476 3.108 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748887 1309049557 /nfs/dbraw/zinc/04/95/57/1309049557.db2.gz SLJKNSVTUGDVCV-YIONKMFJSA-N 2 2 341.455 3.012 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748887 1309049562 /nfs/dbraw/zinc/04/95/62/1309049562.db2.gz SLJKNSVTUGDVCV-YIONKMFJSA-N 2 2 341.455 3.012 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894748887 1309049568 /nfs/dbraw/zinc/04/95/68/1309049568.db2.gz SLJKNSVTUGDVCV-YIONKMFJSA-N 2 2 341.455 3.012 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748887 1309049575 /nfs/dbraw/zinc/04/95/75/1309049575.db2.gz SLJKNSVTUGDVCV-YIONKMFJSA-N 2 2 341.455 3.012 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792551683 1309184765 /nfs/dbraw/zinc/18/47/65/1309184765.db2.gz YTGPKQJBDMGQAN-UHFFFAOYSA-N 2 2 332.363 3.185 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195443 1309738716 /nfs/dbraw/zinc/73/87/16/1309738716.db2.gz JPOBGKCIKWHLCJ-UHFFFAOYSA-N 2 2 327.476 3.016 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796253313 1309945421 /nfs/dbraw/zinc/94/54/21/1309945421.db2.gz HFBPFBHEJRPBRU-UHFFFAOYSA-N 2 2 329.275 3.463 20 0 EGADLP CO[C@@H]([C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000825098862 1320310106 /nfs/dbraw/zinc/31/01/06/1320310106.db2.gz PEVDOZNPJDALAW-YWZLYKJASA-N 2 2 331.504 3.125 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)c1 ZINC001019171591 1317086794 /nfs/dbraw/zinc/08/67/94/1317086794.db2.gz DWTIHLSNNWGTQR-IBGZPJMESA-N 2 2 337.467 3.320 20 0 EGADLP CCc1nc(NC2CC[NH+](Cc3cccc(OC)c3)CC2)cc(C)[nH+]1 ZINC000804360835 1317223123 /nfs/dbraw/zinc/22/31/23/1317223123.db2.gz RBIMWNYZXVSXKL-UHFFFAOYSA-N 2 2 340.471 3.433 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC1 ZINC000900216298 1317252324 /nfs/dbraw/zinc/25/23/24/1317252324.db2.gz LHLIGFSWWFNOHA-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CCC1 ZINC000900216298 1317252331 /nfs/dbraw/zinc/25/23/31/1317252331.db2.gz LHLIGFSWWFNOHA-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000957420111 1317346787 /nfs/dbraw/zinc/34/67/87/1317346787.db2.gz FTBIUEPCKQOBEF-XLIONFOSSA-N 2 2 343.515 3.155 20 0 EGADLP O=C(NC1CCCCC1)OC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000805828998 1317429998 /nfs/dbraw/zinc/42/99/98/1317429998.db2.gz FHWUWLVUEAZWOG-GOSISDBHSA-N 2 2 348.491 3.187 20 0 EGADLP O=C(NC1CCCCC1)OC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000805828998 1317430001 /nfs/dbraw/zinc/43/00/01/1317430001.db2.gz FHWUWLVUEAZWOG-GOSISDBHSA-N 2 2 348.491 3.187 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618657 1317501048 /nfs/dbraw/zinc/50/10/48/1317501048.db2.gz DDIRWFWQWWZCKA-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618657 1317501051 /nfs/dbraw/zinc/50/10/51/1317501051.db2.gz DDIRWFWQWWZCKA-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000902430597 1317577272 /nfs/dbraw/zinc/57/72/72/1317577272.db2.gz CMAQQRPYFHFMCK-XVYTYHMNSA-N 2 2 340.467 3.410 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cn(C)nn1 ZINC000902750169 1317612941 /nfs/dbraw/zinc/61/29/41/1317612941.db2.gz BDQXCDKFMXDZQQ-BRWVUGGUSA-N 2 2 341.503 3.144 20 0 EGADLP CCO[C@@H]1CCC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000902916202 1317630162 /nfs/dbraw/zinc/63/01/62/1317630162.db2.gz KLENYJISKROSGO-QFBILLFUSA-N 2 2 346.519 3.372 20 0 EGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1OC ZINC000808381006 1317668960 /nfs/dbraw/zinc/66/89/60/1317668960.db2.gz KUKYAJWKNLRPPM-KRWDZBQOSA-N 2 2 331.460 3.413 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001020389061 1317675774 /nfs/dbraw/zinc/67/57/74/1317675774.db2.gz ZVUBYBDJJIHIIB-KBAYOESNSA-N 2 2 348.450 3.254 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000903421220 1317699306 /nfs/dbraw/zinc/69/93/06/1317699306.db2.gz FUVJLQWETVJBLW-LPHOPBHVSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000903421220 1317699310 /nfs/dbraw/zinc/69/93/10/1317699310.db2.gz FUVJLQWETVJBLW-LPHOPBHVSA-N 2 2 349.482 3.038 20 0 EGADLP Cn1cc(-c2nc(C[N@@H+]3CCCC[C@H]3C3(C[NH3+])CCC3)cs2)cn1 ZINC000903811037 1317736299 /nfs/dbraw/zinc/73/62/99/1317736299.db2.gz JAIFEOQJPGKXMZ-INIZCTEOSA-N 2 2 345.516 3.027 20 0 EGADLP Cn1cc(-c2nc(C[N@H+]3CCCC[C@H]3C3(C[NH3+])CCC3)cs2)cn1 ZINC000903811037 1317736304 /nfs/dbraw/zinc/73/63/04/1317736304.db2.gz JAIFEOQJPGKXMZ-INIZCTEOSA-N 2 2 345.516 3.027 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000903899837 1317745647 /nfs/dbraw/zinc/74/56/47/1317745647.db2.gz WGWAHXPSLDRATD-RDBSUJKOSA-N 2 2 332.460 3.399 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000903899837 1317745652 /nfs/dbraw/zinc/74/56/52/1317745652.db2.gz WGWAHXPSLDRATD-RDBSUJKOSA-N 2 2 332.460 3.399 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)sc2c1 ZINC000903960063 1317757893 /nfs/dbraw/zinc/75/78/93/1317757893.db2.gz WGHRMWHAQFGXOI-GOSISDBHSA-N 2 2 331.485 3.271 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)sc2c1 ZINC000903960063 1317757898 /nfs/dbraw/zinc/75/78/98/1317757898.db2.gz WGHRMWHAQFGXOI-GOSISDBHSA-N 2 2 331.485 3.271 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC001021130415 1318108147 /nfs/dbraw/zinc/10/81/47/1318108147.db2.gz UYMFBAGWIXNXJX-SZMVWBNQSA-N 2 2 348.450 3.034 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001021299527 1318175955 /nfs/dbraw/zinc/17/59/55/1318175955.db2.gz NJHSKQDEEVMZRZ-ALOPSCKCSA-N 2 2 338.455 3.088 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001021299527 1318175958 /nfs/dbraw/zinc/17/59/58/1318175958.db2.gz NJHSKQDEEVMZRZ-ALOPSCKCSA-N 2 2 338.455 3.088 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575965 1318423301 /nfs/dbraw/zinc/42/33/01/1318423301.db2.gz PTLZTTOAFAGUQF-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575965 1318423304 /nfs/dbraw/zinc/42/33/04/1318423304.db2.gz PTLZTTOAFAGUQF-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056993 1318876487 /nfs/dbraw/zinc/87/64/87/1318876487.db2.gz KZOAVNAWFPIRKH-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056993 1318876498 /nfs/dbraw/zinc/87/64/98/1318876498.db2.gz KZOAVNAWFPIRKH-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056993 1318876507 /nfs/dbraw/zinc/87/65/07/1318876507.db2.gz KZOAVNAWFPIRKH-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(Br)c2)C[C@@H]1C ZINC000815056993 1318876516 /nfs/dbraw/zinc/87/65/16/1318876516.db2.gz KZOAVNAWFPIRKH-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1Cl ZINC000815127028 1318904035 /nfs/dbraw/zinc/90/40/35/1318904035.db2.gz JSNPQRYKYQPHCB-DOMZBBRYSA-N 2 2 338.908 3.308 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1Cl ZINC000815127028 1318904038 /nfs/dbraw/zinc/90/40/38/1318904038.db2.gz JSNPQRYKYQPHCB-DOMZBBRYSA-N 2 2 338.908 3.308 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960978218 1319112937 /nfs/dbraw/zinc/11/29/37/1319112937.db2.gz IEZKGKQFXIKXTP-QGZVFWFLSA-N 2 2 344.503 3.111 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960978218 1319112939 /nfs/dbraw/zinc/11/29/39/1319112939.db2.gz IEZKGKQFXIKXTP-QGZVFWFLSA-N 2 2 344.503 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960993809 1319124583 /nfs/dbraw/zinc/12/45/83/1319124583.db2.gz ZOVZIXVZKLQCSV-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960993809 1319124591 /nfs/dbraw/zinc/12/45/91/1319124591.db2.gz ZOVZIXVZKLQCSV-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC001022886701 1319150229 /nfs/dbraw/zinc/15/02/29/1319150229.db2.gz GWMVGZXKWUICJQ-BHYGNILZSA-N 2 2 348.450 3.103 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC001023160961 1319301492 /nfs/dbraw/zinc/30/14/92/1319301492.db2.gz ILWLOQOVHKGTCP-RYGJVYDSSA-N 2 2 348.450 3.034 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926284 1319463812 /nfs/dbraw/zinc/46/38/12/1319463812.db2.gz DKERPPBYMGKOQK-SUNKGSAMSA-N 2 2 345.270 3.174 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)CCC[NH2+]1 ZINC000817974978 1319482597 /nfs/dbraw/zinc/48/25/97/1319482597.db2.gz OYVBQDDVIQBGEU-BLLLJJGKSA-N 2 2 330.444 3.421 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961393748 1319548638 /nfs/dbraw/zinc/54/86/38/1319548638.db2.gz QNMALRKJGHMSFU-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961393748 1319548648 /nfs/dbraw/zinc/54/86/48/1319548648.db2.gz QNMALRKJGHMSFU-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487956 1319593396 /nfs/dbraw/zinc/59/33/96/1319593396.db2.gz SBTLKASEYVYZTD-QGZVFWFLSA-N 2 2 342.487 3.212 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487956 1319593407 /nfs/dbraw/zinc/59/34/07/1319593407.db2.gz SBTLKASEYVYZTD-QGZVFWFLSA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000819340283 1319702535 /nfs/dbraw/zinc/70/25/35/1319702535.db2.gz VERMNWUIIPPTIP-MAUKXSAKSA-N 2 2 326.431 3.098 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(-n2cnnc2)c1 ZINC000820808741 1319957161 /nfs/dbraw/zinc/95/71/61/1319957161.db2.gz MMIDDTQAESKMQK-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC000843349310 1321503667 /nfs/dbraw/zinc/50/36/67/1321503667.db2.gz TWEQIVPPTNXSEQ-LBPRGKRZSA-N 2 2 334.407 3.348 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC000843349310 1321503671 /nfs/dbraw/zinc/50/36/71/1321503671.db2.gz TWEQIVPPTNXSEQ-LBPRGKRZSA-N 2 2 334.407 3.348 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354241 1321505624 /nfs/dbraw/zinc/50/56/24/1321505624.db2.gz WNOLNOZQLDBGQE-APWZRJJASA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000843354241 1321505629 /nfs/dbraw/zinc/50/56/29/1321505629.db2.gz WNOLNOZQLDBGQE-APWZRJJASA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H](CC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554817 1321718037 /nfs/dbraw/zinc/71/80/37/1321718037.db2.gz NRNGMNDRHOVQHO-PKOBYXMFSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@@H](CC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554817 1321718041 /nfs/dbraw/zinc/71/80/41/1321718041.db2.gz NRNGMNDRHOVQHO-PKOBYXMFSA-N 2 2 341.455 3.432 20 0 EGADLP Cc1nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c(C)c(C)[nH+]1 ZINC000845575779 1321719810 /nfs/dbraw/zinc/71/98/10/1321719810.db2.gz RQSSDEWVBZJZRM-UHFFFAOYSA-N 2 2 333.439 3.277 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000848530812 1321969928 /nfs/dbraw/zinc/96/99/28/1321969928.db2.gz GUGPBKHRWAZCRG-JKSUJKDBSA-N 2 2 348.491 3.309 20 0 EGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cc(F)ccc1F ZINC000849079608 1322069091 /nfs/dbraw/zinc/06/90/91/1322069091.db2.gz FVZZVBLDWZDXAX-UHFFFAOYSA-N 2 2 345.328 3.426 20 0 EGADLP [NH2+]=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000849103364 1322079037 /nfs/dbraw/zinc/07/90/37/1322079037.db2.gz PNSFLGRBGGKSSZ-SFHVURJKSA-N 2 2 346.544 3.004 20 0 EGADLP [NH2+]=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CCCCCC1 ZINC000849103364 1322079044 /nfs/dbraw/zinc/07/90/44/1322079044.db2.gz PNSFLGRBGGKSSZ-SFHVURJKSA-N 2 2 346.544 3.004 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)cc2)c[nH+]1 ZINC000850079948 1322191525 /nfs/dbraw/zinc/19/15/25/1322191525.db2.gz GGROCIUFTFQQHH-NRFANRHFSA-N 2 2 349.434 3.330 20 0 EGADLP Nc1[nH+]cccc1COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000922209440 1322478959 /nfs/dbraw/zinc/47/89/59/1322478959.db2.gz BDPBCTJPMJPOHK-UHFFFAOYSA-N 2 2 325.412 3.007 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000923517065 1322767653 /nfs/dbraw/zinc/76/76/53/1322767653.db2.gz GEBKMFKUYWATLX-JKSUJKDBSA-N 2 2 343.496 3.250 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000923517065 1322767658 /nfs/dbraw/zinc/76/76/58/1322767658.db2.gz GEBKMFKUYWATLX-JKSUJKDBSA-N 2 2 343.496 3.250 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679715 1323109815 /nfs/dbraw/zinc/10/98/15/1323109815.db2.gz LVYMPUHOHHUNPG-GPMSIDNRSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c2ncnn21 ZINC000924679715 1323109819 /nfs/dbraw/zinc/10/98/19/1323109819.db2.gz LVYMPUHOHHUNPG-GPMSIDNRSA-N 2 2 339.487 3.306 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931389217 1329109730 /nfs/dbraw/zinc/10/97/30/1329109730.db2.gz HYYLSICVHMHBKT-IBGZPJMESA-N 2 2 339.418 3.092 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931389217 1329109734 /nfs/dbraw/zinc/10/97/34/1329109734.db2.gz HYYLSICVHMHBKT-IBGZPJMESA-N 2 2 339.418 3.092 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227071 1324014215 /nfs/dbraw/zinc/01/42/15/1324014215.db2.gz MNDKJARTHAFBKL-ROUUACIJSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227071 1324014219 /nfs/dbraw/zinc/01/42/19/1324014219.db2.gz MNDKJARTHAFBKL-ROUUACIJSA-N 2 2 346.519 3.234 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCC4CC4)[C@H]3C2)c(C)[nH+]1 ZINC001026318583 1324723134 /nfs/dbraw/zinc/72/31/34/1324723134.db2.gz YNUDYYGWLNXAGD-GBESFXJTSA-N 2 2 341.499 3.247 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001026919789 1325083305 /nfs/dbraw/zinc/08/33/05/1325083305.db2.gz NNPSJXNZQWLUSH-INIZCTEOSA-N 2 2 338.455 3.115 20 0 EGADLP Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001026920366 1325083498 /nfs/dbraw/zinc/08/34/98/1325083498.db2.gz ZXDBHTJDULRBKH-INIZCTEOSA-N 2 2 348.450 3.123 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333231 1325119130 /nfs/dbraw/zinc/11/91/30/1325119130.db2.gz KXWNPDZFVUKJFV-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333231 1325119136 /nfs/dbraw/zinc/11/91/36/1325119136.db2.gz KXWNPDZFVUKJFV-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)ccc1OC(C)C ZINC000925536594 1325196295 /nfs/dbraw/zinc/19/62/95/1325196295.db2.gz FZARHHVIGPDNHS-VSOXMLEJSA-N 2 2 330.472 3.129 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000925546377 1325201000 /nfs/dbraw/zinc/20/10/00/1325201000.db2.gz KOGMWWPSXATBGG-LIRRHRJNSA-N 2 2 341.430 3.308 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000925554689 1325205691 /nfs/dbraw/zinc/20/56/91/1325205691.db2.gz CYRBKPZZRAPUNC-UXHICEINSA-N 2 2 340.467 3.029 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2cccnc2OCC(F)F)CC1 ZINC000925656414 1325250042 /nfs/dbraw/zinc/25/00/42/1325250042.db2.gz NULBQLFEYHPUDB-UHFFFAOYSA-N 2 2 341.446 3.326 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCO2 ZINC000925792881 1325304712 /nfs/dbraw/zinc/30/47/12/1325304712.db2.gz BQIPOUVRLQOYJO-RBUKOAKNSA-N 2 2 344.499 3.211 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cnnn1-c1ccccc1 ZINC000926147155 1325447594 /nfs/dbraw/zinc/44/75/94/1325447594.db2.gz YNIKNSAMDINCAW-DLBZAZTESA-N 2 2 327.476 3.182 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]CC2CC2)C3)c(C)[nH+]1 ZINC000964453564 1325531766 /nfs/dbraw/zinc/53/17/66/1325531766.db2.gz DJYUUTDVBMEUIZ-UHFFFAOYSA-N 2 2 327.472 3.047 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387962 1325587094 /nfs/dbraw/zinc/58/70/94/1325587094.db2.gz HZLMPHCKUVZLEW-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387962 1325587100 /nfs/dbraw/zinc/58/71/00/1325587100.db2.gz HZLMPHCKUVZLEW-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cn1 ZINC000926745279 1327695963 /nfs/dbraw/zinc/69/59/63/1327695963.db2.gz NDQYOHYYVCCDQC-DFQSSKMNSA-N 2 2 330.520 3.128 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000926745279 1327695968 /nfs/dbraw/zinc/69/59/68/1327695968.db2.gz NDQYOHYYVCCDQC-DFQSSKMNSA-N 2 2 330.520 3.128 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)n(C)n1 ZINC000926744650 1327696140 /nfs/dbraw/zinc/69/61/40/1327696140.db2.gz JFTHVVRTHUFWMA-HFSMHLIXSA-N 2 2 344.547 3.436 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)n(C)n1 ZINC000926744650 1327696144 /nfs/dbraw/zinc/69/61/44/1327696144.db2.gz JFTHVVRTHUFWMA-HFSMHLIXSA-N 2 2 344.547 3.436 20 0 EGADLP CCCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)nn1 ZINC000865449610 1329698871 /nfs/dbraw/zinc/69/88/71/1329698871.db2.gz BYMMFKMXRZAZNI-UHFFFAOYSA-N 2 2 341.503 3.210 20 0 EGADLP O=c1[nH]c2c(cc1C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCCC2 ZINC000865879313 1329748316 /nfs/dbraw/zinc/74/83/16/1329748316.db2.gz LJVJUTPVOGVQEE-UHFFFAOYSA-N 2 2 334.423 3.142 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000931872968 1329767752 /nfs/dbraw/zinc/76/77/52/1329767752.db2.gz GEMRADUJUVIVGZ-INIZCTEOSA-N 2 2 340.471 3.291 20 0 EGADLP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000933242426 1329873839 /nfs/dbraw/zinc/87/38/39/1329873839.db2.gz XBQQGNBNILXIPI-MRXNPFEDSA-N 2 2 330.394 3.204 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000933821255 1329926254 /nfs/dbraw/zinc/92/62/54/1329926254.db2.gz LWQJMOYTNSWSOL-MRXNPFEDSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000933821255 1329926255 /nfs/dbraw/zinc/92/62/55/1329926255.db2.gz LWQJMOYTNSWSOL-MRXNPFEDSA-N 2 2 348.450 3.300 20 0 EGADLP c1cc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)co1 ZINC000934005860 1329939711 /nfs/dbraw/zinc/93/97/11/1329939711.db2.gz TVUQHEZMVPDLSQ-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP c1cc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)co1 ZINC000934005860 1329939713 /nfs/dbraw/zinc/93/97/13/1329939713.db2.gz TVUQHEZMVPDLSQ-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000935076049 1330027068 /nfs/dbraw/zinc/02/70/68/1330027068.db2.gz DZMXQHFKJGDXRL-MOPGFXCFSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1(C)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000935076049 1330027071 /nfs/dbraw/zinc/02/70/71/1330027071.db2.gz DZMXQHFKJGDXRL-MOPGFXCFSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866425235 1330110131 /nfs/dbraw/zinc/11/01/31/1330110131.db2.gz SNRISKDAUZHQEJ-JKSUJKDBSA-N 2 2 329.444 3.312 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866530059 1330122309 /nfs/dbraw/zinc/12/23/09/1330122309.db2.gz WFIFJVXGQDCROF-WSTZPKSXSA-N 2 2 343.515 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866530059 1330122311 /nfs/dbraw/zinc/12/23/11/1330122311.db2.gz WFIFJVXGQDCROF-WSTZPKSXSA-N 2 2 343.515 3.088 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537445 1331962884 /nfs/dbraw/zinc/96/28/84/1331962884.db2.gz BBIDGHYALBOLTQ-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537445 1331962886 /nfs/dbraw/zinc/96/28/86/1331962886.db2.gz BBIDGHYALBOLTQ-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766412 1332259356 /nfs/dbraw/zinc/25/93/56/1332259356.db2.gz IHMKBHADBIIISH-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766412 1332259357 /nfs/dbraw/zinc/25/93/57/1332259357.db2.gz IHMKBHADBIIISH-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933486 1333739924 /nfs/dbraw/zinc/73/99/24/1333739924.db2.gz YUBJFQLNGDGXSZ-HXUWFJFHSA-N 2 2 348.450 3.301 20 0 EGADLP CC(C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000948933486 1333739927 /nfs/dbraw/zinc/73/99/27/1333739927.db2.gz YUBJFQLNGDGXSZ-HXUWFJFHSA-N 2 2 348.450 3.301 20 0 EGADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+](CCCC2CCC2)C1 ZINC000950773640 1334126766 /nfs/dbraw/zinc/12/67/66/1334126766.db2.gz OQWGVQVRLQDFMF-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205124714 1370658133 /nfs/dbraw/zinc/65/81/33/1370658133.db2.gz YOCRHPJQHALENT-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969024096 1336120937 /nfs/dbraw/zinc/12/09/37/1336120937.db2.gz YQUDWAURRPNMEH-IAGOWNOFSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969024096 1336120939 /nfs/dbraw/zinc/12/09/39/1336120939.db2.gz YQUDWAURRPNMEH-IAGOWNOFSA-N 2 2 346.519 3.237 20 0 EGADLP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969100776 1336142508 /nfs/dbraw/zinc/14/25/08/1336142508.db2.gz HWFWTEKLKFKTEK-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969100776 1336142509 /nfs/dbraw/zinc/14/25/09/1336142509.db2.gz HWFWTEKLKFKTEK-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)cc1 ZINC000969407991 1336207772 /nfs/dbraw/zinc/20/77/72/1336207772.db2.gz BMNKVDDKBLYTTP-LJQANCHMSA-N 2 2 337.467 3.320 20 0 EGADLP Cc1cccc(C[NH+]2CC([C@@H](C)NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000969972351 1336268280 /nfs/dbraw/zinc/26/82/80/1336268280.db2.gz GUHGQMVIPIWCJM-OAHLLOKOSA-N 2 2 348.450 3.122 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005712679 1336396406 /nfs/dbraw/zinc/39/64/06/1336396406.db2.gz LLEXAKSHIQRTTD-UHFFFAOYSA-N 2 2 342.487 3.307 20 0 EGADLP CCCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001005790745 1336401817 /nfs/dbraw/zinc/40/18/17/1336401817.db2.gz JSSVMAXPQWEDNE-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001006066255 1336445703 /nfs/dbraw/zinc/44/57/03/1336445703.db2.gz PSESYHTWCXCNMQ-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528533 1336664186 /nfs/dbraw/zinc/66/41/86/1336664186.db2.gz DMFNOQPYSPFPAX-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528533 1336664188 /nfs/dbraw/zinc/66/41/88/1336664188.db2.gz DMFNOQPYSPFPAX-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528533 1336664190 /nfs/dbraw/zinc/66/41/90/1336664190.db2.gz DMFNOQPYSPFPAX-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528533 1336664194 /nfs/dbraw/zinc/66/41/94/1336664194.db2.gz DMFNOQPYSPFPAX-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088656 1336767058 /nfs/dbraw/zinc/76/70/58/1336767058.db2.gz MTYCKNAOBSSCNK-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088656 1336767060 /nfs/dbraw/zinc/76/70/60/1336767060.db2.gz MTYCKNAOBSSCNK-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523776 1337032957 /nfs/dbraw/zinc/03/29/57/1337032957.db2.gz LZYYVCUPPBLARH-CRAIPNDOSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009523776 1337032960 /nfs/dbraw/zinc/03/29/60/1337032960.db2.gz LZYYVCUPPBLARH-CRAIPNDOSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517314 1337033140 /nfs/dbraw/zinc/03/31/40/1337033140.db2.gz BLUDAQFOFNMWQJ-CVEARBPZSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009517314 1337033141 /nfs/dbraw/zinc/03/31/41/1337033141.db2.gz BLUDAQFOFNMWQJ-CVEARBPZSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513461 1337033283 /nfs/dbraw/zinc/03/32/83/1337033283.db2.gz GDWKISRGEITGJU-MAUKXSAKSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513461 1337033286 /nfs/dbraw/zinc/03/32/86/1337033286.db2.gz GDWKISRGEITGJU-MAUKXSAKSA-N 2 2 349.906 3.077 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687522 1338690799 /nfs/dbraw/zinc/69/07/99/1338690799.db2.gz JMKBKIPGWUWRBS-KBXCAEBGSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001029495757 1341000634 /nfs/dbraw/zinc/00/06/34/1341000634.db2.gz RFTBMGXRSGGHLE-YTQUADARSA-N 2 2 342.487 3.010 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001029495757 1341000635 /nfs/dbraw/zinc/00/06/35/1341000635.db2.gz RFTBMGXRSGGHLE-YTQUADARSA-N 2 2 342.487 3.010 20 0 EGADLP C[N@H+](C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001029798984 1341076725 /nfs/dbraw/zinc/07/67/25/1341076725.db2.gz USSWYYNUCNRQDG-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)CC1CCCCCC1 ZINC001029798984 1341076726 /nfs/dbraw/zinc/07/67/26/1341076726.db2.gz USSWYYNUCNRQDG-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001031034669 1341267717 /nfs/dbraw/zinc/26/77/17/1341267717.db2.gz ZUIHUFRJZMFKRH-UHFFFAOYSA-N 2 2 346.519 3.023 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001031034371 1341267860 /nfs/dbraw/zinc/26/78/60/1341267860.db2.gz OPWLSLCADYYJNG-UHFFFAOYSA-N 2 2 346.519 3.167 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033192900 1341749345 /nfs/dbraw/zinc/74/93/45/1341749345.db2.gz YXIFRIBZOMIHQQ-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033192900 1341749346 /nfs/dbraw/zinc/74/93/46/1341749346.db2.gz YXIFRIBZOMIHQQ-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208853 1342318493 /nfs/dbraw/zinc/31/84/93/1342318493.db2.gz ZZFAEHGCQFQEQB-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208853 1342318498 /nfs/dbraw/zinc/31/84/98/1342318498.db2.gz ZZFAEHGCQFQEQB-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)[NH2+]Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001034820536 1342783563 /nfs/dbraw/zinc/78/35/63/1342783563.db2.gz NEQAVSGEZXDZDX-UHFFFAOYSA-N 2 2 348.450 3.300 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(CC[N@@H+](C(C)C)C3)CC2)c(C)[nH+]1 ZINC001035207619 1343024580 /nfs/dbraw/zinc/02/45/80/1343024580.db2.gz YNOZAAZCHUUGIA-UHFFFAOYSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(CC[N@H+](C(C)C)C3)CC2)c(C)[nH+]1 ZINC001035207619 1343024589 /nfs/dbraw/zinc/02/45/89/1343024589.db2.gz YNOZAAZCHUUGIA-UHFFFAOYSA-N 2 2 329.488 3.343 20 0 EGADLP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231809 1343053163 /nfs/dbraw/zinc/05/31/63/1343053163.db2.gz SFAUSDSRSQOHJS-SFHVURJKSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001035231809 1343053165 /nfs/dbraw/zinc/05/31/65/1343053165.db2.gz SFAUSDSRSQOHJS-SFHVURJKSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035735030 1343160699 /nfs/dbraw/zinc/16/06/99/1343160699.db2.gz ZCNIJLJYYBMBHN-OAHLLOKOSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036206218 1343362778 /nfs/dbraw/zinc/36/27/78/1343362778.db2.gz PRKBLWWSZOCDQO-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036242120 1343374430 /nfs/dbraw/zinc/37/44/30/1343374430.db2.gz TWBFWEHUFFOIBX-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036265264 1343385760 /nfs/dbraw/zinc/38/57/60/1343385760.db2.gz LAXJXNHQQFXHBS-RDJZCZTQSA-N 2 2 344.503 3.014 20 0 EGADLP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001036416675 1343474231 /nfs/dbraw/zinc/47/42/31/1343474231.db2.gz PXBKSMKWXILTJG-GOEBONIOSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036555161 1343551944 /nfs/dbraw/zinc/55/19/44/1343551944.db2.gz RBUIJWXVSJPGNT-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036555161 1343551945 /nfs/dbraw/zinc/55/19/45/1343551945.db2.gz RBUIJWXVSJPGNT-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037825690 1344120910 /nfs/dbraw/zinc/12/09/10/1344120910.db2.gz FTPMMCYPIMAKMQ-QZTJIDSGSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CC(C)C ZINC001037886263 1344161199 /nfs/dbraw/zinc/16/11/99/1344161199.db2.gz XHSGSFWCBUNKAK-GDBMZVCRSA-N 2 2 328.460 3.049 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037933938 1344189434 /nfs/dbraw/zinc/18/94/34/1344189434.db2.gz NEKRUVDJIIMKKJ-IEBWSBKVSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@H+]3[C@H](C)c3ccccc3)ccn12 ZINC001038255977 1344346376 /nfs/dbraw/zinc/34/63/76/1344346376.db2.gz WTZGXSFFTUTWTC-APWZRJJASA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@@H+]3[C@H](C)c3ccccc3)ccn12 ZINC001038255977 1344346380 /nfs/dbraw/zinc/34/63/80/1344346380.db2.gz WTZGXSFFTUTWTC-APWZRJJASA-N 2 2 348.450 3.208 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416758 1344419559 /nfs/dbraw/zinc/41/95/59/1344419559.db2.gz PEHLHIOCHNEAAL-PBHICJAKSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416758 1344419561 /nfs/dbraw/zinc/41/95/61/1344419561.db2.gz PEHLHIOCHNEAAL-PBHICJAKSA-N 2 2 334.423 3.128 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001043520690 1346186115 /nfs/dbraw/zinc/18/61/15/1346186115.db2.gz NJAYWMDVHAJIEU-KRWDZBQOSA-N 2 2 343.515 3.073 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001044189979 1346269780 /nfs/dbraw/zinc/26/97/80/1346269780.db2.gz QNVGZFNELOWGNX-JKSUJKDBSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC001044802768 1346431219 /nfs/dbraw/zinc/43/12/19/1346431219.db2.gz YUVHXPQKBSWPDN-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044810040 1346432398 /nfs/dbraw/zinc/43/23/98/1346432398.db2.gz SPTPOURDFXOCQF-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cccc3[nH+]ccn32)c1 ZINC001045118186 1346498057 /nfs/dbraw/zinc/49/80/57/1346498057.db2.gz FTDMVATVBDGHNH-SFHVURJKSA-N 2 2 348.450 3.037 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045118953 1346498351 /nfs/dbraw/zinc/49/83/51/1346498351.db2.gz ZAYLMFSDTKRVCQ-KRWDZBQOSA-N 2 2 338.455 3.029 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001045273565 1346545463 /nfs/dbraw/zinc/54/54/63/1346545463.db2.gz OLAVLXAXNHKFHU-RDJZCZTQSA-N 2 2 340.471 3.029 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045968767 1346804098 /nfs/dbraw/zinc/80/40/98/1346804098.db2.gz GVUKDQJYWYOQNK-UYAOXDASSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045968767 1346804102 /nfs/dbraw/zinc/80/41/02/1346804102.db2.gz GVUKDQJYWYOQNK-UYAOXDASSA-N 2 2 346.519 3.195 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969834 1346805654 /nfs/dbraw/zinc/80/56/54/1346805654.db2.gz ZZDNXGJBYCYTGA-AZUAARDMSA-N 2 2 346.519 3.339 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969834 1346805657 /nfs/dbraw/zinc/80/56/57/1346805657.db2.gz ZZDNXGJBYCYTGA-AZUAARDMSA-N 2 2 346.519 3.339 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001046420302 1346969684 /nfs/dbraw/zinc/96/96/84/1346969684.db2.gz CWEXGSOOZJJTQG-OAQYLSRUSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001046420302 1346969687 /nfs/dbraw/zinc/96/96/87/1346969687.db2.gz CWEXGSOOZJJTQG-OAQYLSRUSA-N 2 2 348.450 3.266 20 0 EGADLP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001047248462 1347273536 /nfs/dbraw/zinc/27/35/36/1347273536.db2.gz QOKQJNBIMMPHTI-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001047264559 1347285405 /nfs/dbraw/zinc/28/54/05/1347285405.db2.gz OXBWJUVDNYOFGG-KRWDZBQOSA-N 2 2 346.519 3.046 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)[nH+]1 ZINC001048548479 1347588029 /nfs/dbraw/zinc/58/80/29/1347588029.db2.gz CFFJJNGRBZTLNA-BCDXTJNWSA-N 2 2 329.488 3.388 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)[nH+]1 ZINC001048548479 1347588032 /nfs/dbraw/zinc/58/80/32/1347588032.db2.gz CFFJJNGRBZTLNA-BCDXTJNWSA-N 2 2 329.488 3.388 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1 ZINC001050372514 1348241939 /nfs/dbraw/zinc/24/19/39/1348241939.db2.gz RWJQYUSXNSXBAH-IYARVYRRSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082834 1348903926 /nfs/dbraw/zinc/90/39/26/1348903926.db2.gz HLYBDLXMLSKXKX-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082834 1348903929 /nfs/dbraw/zinc/90/39/29/1348903929.db2.gz HLYBDLXMLSKXKX-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510724 1354734788 /nfs/dbraw/zinc/73/47/88/1354734788.db2.gz FMXDUZKOWODUSO-RHSMWYFYSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071510724 1354734789 /nfs/dbraw/zinc/73/47/89/1354734789.db2.gz FMXDUZKOWODUSO-RHSMWYFYSA-N 2 2 328.460 3.026 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183176380 1387272274 /nfs/dbraw/zinc/27/22/74/1387272274.db2.gz MKQSCNCUGZEERT-SQKUUZPOSA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360128 1363772719 /nfs/dbraw/zinc/77/27/19/1363772719.db2.gz VXDKGGGXOXVWNX-ZWKOTPCHSA-N 2 2 348.535 3.172 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360128 1363772721 /nfs/dbraw/zinc/77/27/21/1363772721.db2.gz VXDKGGGXOXVWNX-ZWKOTPCHSA-N 2 2 348.535 3.172 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC ZINC001323171048 1387306193 /nfs/dbraw/zinc/30/61/93/1387306193.db2.gz SKKRIRNXGKNABU-MJGOQNOKSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323262432 1387319455 /nfs/dbraw/zinc/31/94/55/1387319455.db2.gz NNAKDTZHAJFOPJ-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323262432 1387319457 /nfs/dbraw/zinc/31/94/57/1387319457.db2.gz NNAKDTZHAJFOPJ-HOCLYGCPSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001085856315 1358823887 /nfs/dbraw/zinc/82/38/87/1358823887.db2.gz WJOXAUJXRHYITG-QZTJIDSGSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1Cc1ccsc1 ZINC001085856315 1358823893 /nfs/dbraw/zinc/82/38/93/1358823893.db2.gz WJOXAUJXRHYITG-QZTJIDSGSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001085856315 1358823900 /nfs/dbraw/zinc/82/39/00/1358823900.db2.gz WJOXAUJXRHYITG-QZTJIDSGSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001085856315 1358823905 /nfs/dbraw/zinc/82/39/05/1358823905.db2.gz WJOXAUJXRHYITG-QZTJIDSGSA-N 2 2 349.544 3.044 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001086155034 1359010581 /nfs/dbraw/zinc/01/05/81/1359010581.db2.gz LULWRRDHBGMWOA-HDICACEKSA-N 2 2 329.488 3.295 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCC3CCCC3)CC2)c(C)[nH+]1 ZINC001323493461 1387377430 /nfs/dbraw/zinc/37/74/30/1387377430.db2.gz HFIHMVREVDDGQS-UHFFFAOYSA-N 2 2 329.488 3.439 20 0 EGADLP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001086843931 1359211867 /nfs/dbraw/zinc/21/18/67/1359211867.db2.gz GZXOBZVIRPIAKO-FUHWJXTLSA-N 2 2 340.471 3.016 20 0 EGADLP C[N@@H+]1CCC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106784 1387394194 /nfs/dbraw/zinc/39/41/94/1387394194.db2.gz VZHMSMIUCVMMQS-RJGXRXQPSA-N 2 2 349.522 3.338 20 0 EGADLP C[N@H+]1CCC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106784 1387394201 /nfs/dbraw/zinc/39/42/01/1387394201.db2.gz VZHMSMIUCVMMQS-RJGXRXQPSA-N 2 2 349.522 3.338 20 0 EGADLP C[NH+]1CCC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106784 1387394204 /nfs/dbraw/zinc/39/42/04/1387394204.db2.gz VZHMSMIUCVMMQS-RJGXRXQPSA-N 2 2 349.522 3.338 20 0 EGADLP C[NH+]1CCC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001184106784 1387394208 /nfs/dbraw/zinc/39/42/08/1387394208.db2.gz VZHMSMIUCVMMQS-RJGXRXQPSA-N 2 2 349.522 3.338 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC001087624458 1359561143 /nfs/dbraw/zinc/56/11/43/1359561143.db2.gz FRBYNXYWWKGHIZ-AZUAARDMSA-N 2 2 348.450 3.346 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC001087624458 1359561146 /nfs/dbraw/zinc/56/11/46/1359561146.db2.gz FRBYNXYWWKGHIZ-AZUAARDMSA-N 2 2 348.450 3.346 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955280 1360113526 /nfs/dbraw/zinc/11/35/26/1360113526.db2.gz BMQDXMFTKLGMDX-FCEWJHQRSA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955280 1360113531 /nfs/dbraw/zinc/11/35/31/1360113531.db2.gz BMQDXMFTKLGMDX-FCEWJHQRSA-N 2 2 340.471 3.111 20 0 EGADLP C[N@H+](C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC001089246997 1360280367 /nfs/dbraw/zinc/28/03/67/1360280367.db2.gz YYTPSWKEGVLPJZ-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC001089246997 1360280370 /nfs/dbraw/zinc/28/03/70/1360280370.db2.gz YYTPSWKEGVLPJZ-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442196 1360432295 /nfs/dbraw/zinc/43/22/95/1360432295.db2.gz ONTWGZRGBGQTFT-INIZCTEOSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442196 1360432297 /nfs/dbraw/zinc/43/22/97/1360432297.db2.gz ONTWGZRGBGQTFT-INIZCTEOSA-N 2 2 342.487 3.211 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CC2=CCCCC2)C1 ZINC001089528765 1360491855 /nfs/dbraw/zinc/49/18/55/1360491855.db2.gz NDDOPRAIOVLYHD-KRWDZBQOSA-N 2 2 344.503 3.059 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001089528765 1360491857 /nfs/dbraw/zinc/49/18/57/1360491857.db2.gz NDDOPRAIOVLYHD-KRWDZBQOSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785495 1361220144 /nfs/dbraw/zinc/22/01/44/1361220144.db2.gz FJVUAONKBFBGGH-NBQZKYEYSA-N 2 2 340.471 3.003 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785495 1361220145 /nfs/dbraw/zinc/22/01/45/1361220145.db2.gz FJVUAONKBFBGGH-NBQZKYEYSA-N 2 2 340.471 3.003 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728996 1361449181 /nfs/dbraw/zinc/44/91/81/1361449181.db2.gz VGEWJUPTXMRODQ-CRAIPNDOSA-N 2 2 348.450 3.061 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001092728996 1361449183 /nfs/dbraw/zinc/44/91/83/1361449183.db2.gz VGEWJUPTXMRODQ-CRAIPNDOSA-N 2 2 348.450 3.061 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCC3CC3)[C@@H](C)C2)c(C)[nH+]1 ZINC001184852848 1387549496 /nfs/dbraw/zinc/54/94/96/1387549496.db2.gz XFPVSYVVSJZBNX-KXBFYZLASA-N 2 2 343.515 3.495 20 0 EGADLP CCc1cc(NCc2ccc(OCC[NH+](C)C)cc2)nc(CC)[nH+]1 ZINC001184903985 1387559702 /nfs/dbraw/zinc/55/97/02/1387559702.db2.gz AWAHSXQSVSAUOR-UHFFFAOYSA-N 2 2 328.460 3.154 20 0 EGADLP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001095828129 1362247599 /nfs/dbraw/zinc/24/75/99/1362247599.db2.gz WAPKGWZORBCYFJ-QYZOEREBSA-N 2 2 338.455 3.008 20 0 EGADLP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001095828129 1362247601 /nfs/dbraw/zinc/24/76/01/1362247601.db2.gz WAPKGWZORBCYFJ-QYZOEREBSA-N 2 2 338.455 3.008 20 0 EGADLP CC(C)CC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001100541552 1364153095 /nfs/dbraw/zinc/15/30/95/1364153095.db2.gz OSRSPCRIFJMDJG-UHFFFAOYSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H](CC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001100714999 1364232894 /nfs/dbraw/zinc/23/28/94/1364232894.db2.gz AUPUOKVTYJWQOF-IVMQYODDSA-N 2 2 346.519 3.289 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414826 1365044999 /nfs/dbraw/zinc/04/49/99/1365044999.db2.gz QIADVVABKPYGAA-IOIJZZRGSA-N 2 2 346.519 3.265 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414826 1365045004 /nfs/dbraw/zinc/04/50/04/1365045004.db2.gz QIADVVABKPYGAA-IOIJZZRGSA-N 2 2 346.519 3.265 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260210 1365460362 /nfs/dbraw/zinc/46/03/62/1365460362.db2.gz GQCBRXYCDASJKT-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001103260210 1365460366 /nfs/dbraw/zinc/46/03/66/1365460366.db2.gz GQCBRXYCDASJKT-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517634 1365608423 /nfs/dbraw/zinc/60/84/23/1365608423.db2.gz VQSYXMSNMAUFSS-LZLYRXPVSA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517634 1365608428 /nfs/dbraw/zinc/60/84/28/1365608428.db2.gz VQSYXMSNMAUFSS-LZLYRXPVSA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517634 1365608431 /nfs/dbraw/zinc/60/84/31/1365608431.db2.gz VQSYXMSNMAUFSS-LZLYRXPVSA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517634 1365608433 /nfs/dbraw/zinc/60/84/33/1365608433.db2.gz VQSYXMSNMAUFSS-LZLYRXPVSA-N 2 2 348.535 3.099 20 0 EGADLP CCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738500 1366151317 /nfs/dbraw/zinc/15/13/17/1366151317.db2.gz YCQCCVNVBJFXNX-KZNAEPCWSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777847 1366168395 /nfs/dbraw/zinc/16/83/95/1366168395.db2.gz WRTQHVFROYPYIG-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777847 1366168399 /nfs/dbraw/zinc/16/83/99/1366168399.db2.gz WRTQHVFROYPYIG-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582213 1366543338 /nfs/dbraw/zinc/54/33/38/1366543338.db2.gz QLPNZFHVNCPTPT-MSOLQXFVSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C2)c(C)[nH+]1 ZINC001106455244 1366701169 /nfs/dbraw/zinc/70/11/69/1366701169.db2.gz IFMMGHHDXCWRIO-GBYQGRNTSA-N 2 2 335.879 3.057 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384363 1366949021 /nfs/dbraw/zinc/94/90/21/1366949021.db2.gz ANMRECHOQBKODE-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384363 1366949024 /nfs/dbraw/zinc/94/90/24/1366949024.db2.gz ANMRECHOQBKODE-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190174632 1367190488 /nfs/dbraw/zinc/19/04/88/1367190488.db2.gz GTGFWZXLHFPGQA-OOFWQKGWSA-N 2 2 340.471 3.145 20 0 EGADLP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190174632 1367190492 /nfs/dbraw/zinc/19/04/92/1367190492.db2.gz GTGFWZXLHFPGQA-OOFWQKGWSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816795 1367357780 /nfs/dbraw/zinc/35/77/80/1367357780.db2.gz GJCWTEQLWCORJA-MSOLQXFVSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816795 1367357785 /nfs/dbraw/zinc/35/77/85/1367357785.db2.gz GJCWTEQLWCORJA-MSOLQXFVSA-N 2 2 348.535 3.439 20 0 EGADLP CC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932845 1367384911 /nfs/dbraw/zinc/38/49/11/1367384911.db2.gz DQEDBNSIMVCTKC-AWFCHZOYSA-N 2 2 326.444 3.066 20 0 EGADLP CC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932845 1367384915 /nfs/dbraw/zinc/38/49/15/1367384915.db2.gz DQEDBNSIMVCTKC-AWFCHZOYSA-N 2 2 326.444 3.066 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933547 1367385819 /nfs/dbraw/zinc/38/58/19/1367385819.db2.gz JNAZJLJVQANDHC-OSJSJHBBSA-N 2 2 340.471 3.456 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933547 1367385828 /nfs/dbraw/zinc/38/58/28/1367385828.db2.gz JNAZJLJVQANDHC-OSJSJHBBSA-N 2 2 340.471 3.456 20 0 EGADLP CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587235 1367535403 /nfs/dbraw/zinc/53/54/03/1367535403.db2.gz SKJXKJCHOHUSPV-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587235 1367535407 /nfs/dbraw/zinc/53/54/07/1367535407.db2.gz SKJXKJCHOHUSPV-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292726 1367741392 /nfs/dbraw/zinc/74/13/92/1367741392.db2.gz BOZHATOSCCPTSC-JKSUJKDBSA-N 2 2 346.519 3.189 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292726 1367741399 /nfs/dbraw/zinc/74/13/99/1367741399.db2.gz BOZHATOSCCPTSC-JKSUJKDBSA-N 2 2 346.519 3.189 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111076621 1368153624 /nfs/dbraw/zinc/15/36/24/1368153624.db2.gz PVBUITUIKOAOQN-IUJCRZITSA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111076621 1368153629 /nfs/dbraw/zinc/15/36/29/1368153629.db2.gz PVBUITUIKOAOQN-IUJCRZITSA-N 2 2 344.503 3.302 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899187 1368544110 /nfs/dbraw/zinc/54/41/10/1368544110.db2.gz HRXQBSFVVBOOTL-UWVAXJGDSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001111899187 1368544113 /nfs/dbraw/zinc/54/41/13/1368544113.db2.gz HRXQBSFVVBOOTL-UWVAXJGDSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899187 1368544119 /nfs/dbraw/zinc/54/41/19/1368544119.db2.gz HRXQBSFVVBOOTL-UWVAXJGDSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001111899187 1368544121 /nfs/dbraw/zinc/54/41/21/1368544121.db2.gz HRXQBSFVVBOOTL-UWVAXJGDSA-N 2 2 346.519 3.139 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242498 1368574421 /nfs/dbraw/zinc/57/44/21/1368574421.db2.gz KAYJYWBBGAWGPN-SFFCAUCYSA-N 2 2 346.519 3.361 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125884 1368749665 /nfs/dbraw/zinc/74/96/65/1368749665.db2.gz NYJIGAFWVKJLBF-CHYADLBTSA-N 2 2 344.503 3.110 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125884 1368749667 /nfs/dbraw/zinc/74/96/67/1368749667.db2.gz NYJIGAFWVKJLBF-CHYADLBTSA-N 2 2 344.503 3.110 20 0 EGADLP COC(=O)c1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC001197263842 1368775288 /nfs/dbraw/zinc/77/52/88/1368775288.db2.gz DBWIOJSOSKUCSP-INIZCTEOSA-N 2 2 341.436 3.262 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001198021193 1368944038 /nfs/dbraw/zinc/94/40/38/1368944038.db2.gz GUXVUIXRHXFORK-KRWDZBQOSA-N 2 2 343.515 3.085 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)C2(CC2)C1 ZINC001198021193 1368944044 /nfs/dbraw/zinc/94/40/44/1368944044.db2.gz GUXVUIXRHXFORK-KRWDZBQOSA-N 2 2 343.515 3.085 20 0 EGADLP Cc1csc(N2CCC([NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 ZINC001199608773 1369244017 /nfs/dbraw/zinc/24/40/17/1369244017.db2.gz LADMYBGMQVQUOT-INIZCTEOSA-N 2 2 347.532 3.321 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC001199865104 1369282730 /nfs/dbraw/zinc/28/27/30/1369282730.db2.gz OZQAYYMLCGWZGY-IBGZPJMESA-N 2 2 339.483 3.482 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001199865104 1369282735 /nfs/dbraw/zinc/28/27/35/1369282735.db2.gz OZQAYYMLCGWZGY-IBGZPJMESA-N 2 2 339.483 3.482 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)[NH+](CC)CC ZINC001113341284 1369359330 /nfs/dbraw/zinc/35/93/30/1369359330.db2.gz QQEXBMIUYOPGPT-QFBILLFUSA-N 2 2 349.494 3.151 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186748307 1388003709 /nfs/dbraw/zinc/00/37/09/1388003709.db2.gz QMDRGQUQMYSJPV-DDKKJVIOSA-N 2 2 338.455 3.033 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCCO1 ZINC001201023151 1369467766 /nfs/dbraw/zinc/46/77/66/1369467766.db2.gz MQDOSHZQISBCCH-GOSISDBHSA-N 2 2 347.503 3.018 20 0 EGADLP CCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529110 1369479593 /nfs/dbraw/zinc/47/95/93/1369479593.db2.gz DFADLWTWYSDYON-LJQANCHMSA-N 2 2 331.504 3.014 20 0 EGADLP CCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529110 1369479596 /nfs/dbraw/zinc/47/95/96/1369479596.db2.gz DFADLWTWYSDYON-LJQANCHMSA-N 2 2 331.504 3.014 20 0 EGADLP CC/C=C\CC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183049 1369492184 /nfs/dbraw/zinc/49/21/84/1369492184.db2.gz SBNXYVBQBUYWOT-SFFCAUCYSA-N 2 2 346.519 3.407 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC([NH2+]CCCC2CCC2)CC1 ZINC001201588547 1369583686 /nfs/dbraw/zinc/58/36/86/1369583686.db2.gz DKGRBVPRXZLTMZ-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201735564 1369613699 /nfs/dbraw/zinc/61/36/99/1369613699.db2.gz VRVNHQIDWLWUGP-SJLPKXTDSA-N 2 2 337.533 3.164 20 0 EGADLP CCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201735564 1369613703 /nfs/dbraw/zinc/61/37/03/1369613703.db2.gz VRVNHQIDWLWUGP-SJLPKXTDSA-N 2 2 337.533 3.164 20 0 EGADLP CCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201735564 1369613710 /nfs/dbraw/zinc/61/37/10/1369613710.db2.gz VRVNHQIDWLWUGP-SJLPKXTDSA-N 2 2 337.533 3.164 20 0 EGADLP CCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001201735564 1369613715 /nfs/dbraw/zinc/61/37/15/1369613715.db2.gz VRVNHQIDWLWUGP-SJLPKXTDSA-N 2 2 337.533 3.164 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCCC1 ZINC001202387524 1369757448 /nfs/dbraw/zinc/75/74/48/1369757448.db2.gz HUPSCSBPVHYYHY-OAQYLSRUSA-N 2 2 346.515 3.456 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161146 1370005502 /nfs/dbraw/zinc/00/55/02/1370005502.db2.gz PMUHVXUEZDWCBM-SJORKVTESA-N 2 2 340.471 3.155 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238060 1370035535 /nfs/dbraw/zinc/03/55/35/1370035535.db2.gz BDQOHZLCQSJMTE-ZLKFPQNLSA-N 2 2 344.503 3.037 20 0 EGADLP CCc1[nH]c(CN2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)[nH+]1 ZINC001203236676 1370035657 /nfs/dbraw/zinc/03/56/57/1370035657.db2.gz RTIYPFAHDHTADT-QUCCMNQESA-N 2 2 338.499 3.377 20 0 EGADLP CCc1[nH]c(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)[nH+]1 ZINC001203236676 1370035660 /nfs/dbraw/zinc/03/56/60/1370035660.db2.gz RTIYPFAHDHTADT-QUCCMNQESA-N 2 2 338.499 3.377 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239579 1370036214 /nfs/dbraw/zinc/03/62/14/1370036214.db2.gz IUAAZCCVLUOYOK-DLBZAZTESA-N 2 2 346.519 3.117 20 0 EGADLP CCc1[nH]c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2CC)c(C)[nH+]1 ZINC001203247260 1370039537 /nfs/dbraw/zinc/03/95/37/1370039537.db2.gz AOQFNKYLNONCDZ-SFHVURJKSA-N 2 2 326.488 3.377 20 0 EGADLP CCc1[nH]c(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2CC)c(C)[nH+]1 ZINC001203247260 1370039540 /nfs/dbraw/zinc/03/95/40/1370039540.db2.gz AOQFNKYLNONCDZ-SFHVURJKSA-N 2 2 326.488 3.377 20 0 EGADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccccc1C(F)(F)F ZINC001203691130 1370221375 /nfs/dbraw/zinc/22/13/75/1370221375.db2.gz QLXYJGUCNFHUEE-UHFFFAOYSA-N 2 2 346.393 3.022 20 0 EGADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(F)(F)F ZINC001203691130 1370221378 /nfs/dbraw/zinc/22/13/78/1370221378.db2.gz QLXYJGUCNFHUEE-UHFFFAOYSA-N 2 2 346.393 3.022 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1C ZINC001203725148 1370236497 /nfs/dbraw/zinc/23/64/97/1370236497.db2.gz QBRLRFNWLPSHEE-UHFFFAOYSA-N 2 2 340.471 3.041 20 0 EGADLP Cc1ccsc1C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001204019562 1370350277 /nfs/dbraw/zinc/35/02/77/1370350277.db2.gz JSBNYMQSADPBOX-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP Cc1ccsc1C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001204019562 1370350282 /nfs/dbraw/zinc/35/02/82/1370350282.db2.gz JSBNYMQSADPBOX-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP Fc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001204199617 1370405643 /nfs/dbraw/zinc/40/56/43/1370405643.db2.gz KYRFNAUNEJKQLA-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001204199617 1370405646 /nfs/dbraw/zinc/40/56/46/1370405646.db2.gz KYRFNAUNEJKQLA-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001204199617 1370405648 /nfs/dbraw/zinc/40/56/48/1370405648.db2.gz KYRFNAUNEJKQLA-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1F ZINC001204199617 1370405651 /nfs/dbraw/zinc/40/56/51/1370405651.db2.gz KYRFNAUNEJKQLA-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001204290602 1370432594 /nfs/dbraw/zinc/43/25/94/1370432594.db2.gz UZCKSNJMYUFYQB-ROUUACIJSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)oc1C ZINC001204534022 1370507818 /nfs/dbraw/zinc/50/78/18/1370507818.db2.gz PGRAYWZVHGESLN-UHFFFAOYSA-N 2 2 344.455 3.356 20 0 EGADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)oc1C ZINC001204534022 1370507823 /nfs/dbraw/zinc/50/78/23/1370507823.db2.gz PGRAYWZVHGESLN-UHFFFAOYSA-N 2 2 344.455 3.356 20 0 EGADLP CCOC(=O)c1c[nH+]c(-c2ccc(C[NH+](C)C)cc2)cc1N(C)C ZINC001204605685 1370529089 /nfs/dbraw/zinc/52/90/89/1370529089.db2.gz BEBCIOKUVXDUOQ-UHFFFAOYSA-N 2 2 327.428 3.053 20 0 EGADLP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205018342 1370630181 /nfs/dbraw/zinc/63/01/81/1370630181.db2.gz SYBDGWDDKMNPQD-OAHLLOKOSA-N 2 2 343.471 3.084 20 0 EGADLP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC001205018342 1370630185 /nfs/dbraw/zinc/63/01/85/1370630185.db2.gz SYBDGWDDKMNPQD-OAHLLOKOSA-N 2 2 343.471 3.084 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115655939 1370641957 /nfs/dbraw/zinc/64/19/57/1370641957.db2.gz SCPWJYPJSMOLQW-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205124714 1370658128 /nfs/dbraw/zinc/65/81/28/1370658128.db2.gz YOCRHPJQHALENT-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(OC(F)F)ccc2Br)C[C@H]1C[NH3+] ZINC001205151695 1370664649 /nfs/dbraw/zinc/66/46/49/1370664649.db2.gz ZAVVZHOKGZZNMK-GXSJLCMTSA-N 2 2 349.219 3.077 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(OC(F)F)ccc2Br)C[C@H]1C[NH3+] ZINC001205151695 1370664654 /nfs/dbraw/zinc/66/46/54/1370664654.db2.gz ZAVVZHOKGZZNMK-GXSJLCMTSA-N 2 2 349.219 3.077 20 0 EGADLP C[NH+](C)CCCOc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC001205240279 1370692453 /nfs/dbraw/zinc/69/24/53/1370692453.db2.gz YHHQIVAGSRAYJS-UHFFFAOYSA-N 2 2 336.439 3.324 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)[nH]1 ZINC001205273547 1370702632 /nfs/dbraw/zinc/70/26/32/1370702632.db2.gz FJAVWBYQPHLWAU-QZTJIDSGSA-N 2 2 332.451 3.127 20 0 EGADLP C[C@]1([NH3+])CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC001205296654 1370711518 /nfs/dbraw/zinc/71/15/18/1370711518.db2.gz SBKADJJJMWDKHK-HNNXBMFYSA-N 2 2 337.265 3.029 20 0 EGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC001205296654 1370711525 /nfs/dbraw/zinc/71/15/25/1370711525.db2.gz SBKADJJJMWDKHK-HNNXBMFYSA-N 2 2 337.265 3.029 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205318517 1370719676 /nfs/dbraw/zinc/71/96/76/1370719676.db2.gz VPULGRSIZDPWFG-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC001205318517 1370719681 /nfs/dbraw/zinc/71/96/81/1370719681.db2.gz VPULGRSIZDPWFG-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CCC2CC2)CCCCC1)n1cc[nH+]c1 ZINC001115752773 1370734692 /nfs/dbraw/zinc/73/46/92/1370734692.db2.gz USKSBFRJVZPCKA-INIZCTEOSA-N 2 2 332.492 3.043 20 0 EGADLP C[N@@H+](Cc1ccccc1-c1ccc(Cl)cc1)C[C@@H]1C[NH2+]CCO1 ZINC001205376747 1370735625 /nfs/dbraw/zinc/73/56/25/1370735625.db2.gz MZGVBNWWETUHGZ-SFHVURJKSA-N 2 2 330.859 3.427 20 0 EGADLP C[N@H+](Cc1ccccc1-c1ccc(Cl)cc1)C[C@@H]1C[NH2+]CCO1 ZINC001205376747 1370735627 /nfs/dbraw/zinc/73/56/27/1370735627.db2.gz MZGVBNWWETUHGZ-SFHVURJKSA-N 2 2 330.859 3.427 20 0 EGADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CCC1 ZINC001205506803 1370775014 /nfs/dbraw/zinc/77/50/14/1370775014.db2.gz HLYGOQFPBYGFDE-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CCC1 ZINC001205506803 1370775017 /nfs/dbraw/zinc/77/50/17/1370775017.db2.gz HLYGOQFPBYGFDE-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CCC1(F)F ZINC001205789154 1370871194 /nfs/dbraw/zinc/87/11/94/1370871194.db2.gz WZNRRGPRUMQJER-OAHLLOKOSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CCC1(F)F ZINC001205789154 1370871199 /nfs/dbraw/zinc/87/11/99/1370871199.db2.gz WZNRRGPRUMQJER-OAHLLOKOSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC1(F)F ZINC001205795479 1370873008 /nfs/dbraw/zinc/87/30/08/1370873008.db2.gz HCSWZJMKCAHZSK-JTQLQIEISA-N 2 2 341.789 3.010 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC1(F)F ZINC001205795479 1370873015 /nfs/dbraw/zinc/87/30/15/1370873015.db2.gz HCSWZJMKCAHZSK-JTQLQIEISA-N 2 2 341.789 3.010 20 0 EGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813954 1370880362 /nfs/dbraw/zinc/88/03/62/1370880362.db2.gz AMXWLLUBHJQFFV-MFKMUULPSA-N 2 2 326.366 3.141 20 0 EGADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001205813954 1370880368 /nfs/dbraw/zinc/88/03/68/1370880368.db2.gz AMXWLLUBHJQFFV-MFKMUULPSA-N 2 2 326.366 3.141 20 0 EGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901335 1370904990 /nfs/dbraw/zinc/90/49/90/1370904990.db2.gz CNYPSTWCBCGAAB-QWHCGFSZSA-N 2 2 342.940 3.346 20 0 EGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901335 1370904993 /nfs/dbraw/zinc/90/49/93/1370904993.db2.gz CNYPSTWCBCGAAB-QWHCGFSZSA-N 2 2 342.940 3.346 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901022 1370905127 /nfs/dbraw/zinc/90/51/27/1370905127.db2.gz AOMVKVDHNPZMGD-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901022 1370905134 /nfs/dbraw/zinc/90/51/34/1370905134.db2.gz AOMVKVDHNPZMGD-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206185184 1370984870 /nfs/dbraw/zinc/98/48/70/1370984870.db2.gz LLOSDMXAXULKCX-NEPJUHHUSA-N 2 2 335.286 3.334 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206185184 1370984877 /nfs/dbraw/zinc/98/48/77/1370984877.db2.gz LLOSDMXAXULKCX-NEPJUHHUSA-N 2 2 335.286 3.334 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027300 1370942204 /nfs/dbraw/zinc/94/22/04/1370942204.db2.gz VUWJIZUTDMVLED-HUUCEWRRSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206027300 1370942208 /nfs/dbraw/zinc/94/22/08/1370942208.db2.gz VUWJIZUTDMVLED-HUUCEWRRSA-N 3 2 332.879 3.333 20 0 EGADLP Cc1c(C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Br ZINC001206197922 1370991003 /nfs/dbraw/zinc/99/10/03/1370991003.db2.gz KKRBBEULLKCBRG-CABCVRRESA-N 2 2 329.257 3.327 20 0 EGADLP Cc1c(C)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)ccc1Br ZINC001206197922 1370991007 /nfs/dbraw/zinc/99/10/07/1370991007.db2.gz KKRBBEULLKCBRG-CABCVRRESA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)cc1Br ZINC001206213855 1370995122 /nfs/dbraw/zinc/99/51/22/1370995122.db2.gz WAXARIJSSBZPNE-GJZGRUSLSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)cc1Br ZINC001206213855 1370995119 /nfs/dbraw/zinc/99/51/19/1370995119.db2.gz WAXARIJSSBZPNE-GJZGRUSLSA-N 2 2 329.257 3.327 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206427838 1371051527 /nfs/dbraw/zinc/05/15/27/1371051527.db2.gz NDBPDVXUOJZURW-QGZVFWFLSA-N 2 2 334.508 3.243 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc2c(N)cc[nH+]c2c1 ZINC001206532883 1371085670 /nfs/dbraw/zinc/08/56/70/1371085670.db2.gz NHTXRWMGTMTVPI-UHFFFAOYSA-N 2 2 349.434 3.325 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170401 /nfs/dbraw/zinc/17/04/01/1371170401.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170403 /nfs/dbraw/zinc/17/04/03/1371170403.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170407 /nfs/dbraw/zinc/17/04/07/1371170407.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1C ZINC001206797121 1371170412 /nfs/dbraw/zinc/17/04/12/1371170412.db2.gz UPXRNXIYRRMICD-UXHICEINSA-N 3 2 338.499 3.073 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206808216 1371176146 /nfs/dbraw/zinc/17/61/46/1371176146.db2.gz JWPHNUYQOGGXRP-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206808216 1371176150 /nfs/dbraw/zinc/17/61/50/1371176150.db2.gz JWPHNUYQOGGXRP-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872757 1371199400 /nfs/dbraw/zinc/19/94/00/1371199400.db2.gz SOELCPLZQYRZCQ-UHFFFAOYSA-N 2 2 348.535 3.342 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206898122 1371214171 /nfs/dbraw/zinc/21/41/71/1371214171.db2.gz DDUAVMXTYPKQTN-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC(=O)c3ccc(F)cc32)CC1 ZINC001207279193 1371349240 /nfs/dbraw/zinc/34/92/40/1371349240.db2.gz IHADUKWRMALJCZ-UHFFFAOYSA-N 2 2 332.463 3.334 20 0 EGADLP CC[N@H+](CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001207382812 1371379971 /nfs/dbraw/zinc/37/99/71/1371379971.db2.gz SKJWFPSDLVNRJR-UHFFFAOYSA-N 2 2 325.294 3.408 20 0 EGADLP CC[N@@H+](CCc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC001207382812 1371379975 /nfs/dbraw/zinc/37/99/75/1371379975.db2.gz SKJWFPSDLVNRJR-UHFFFAOYSA-N 2 2 325.294 3.408 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413959 1371565564 /nfs/dbraw/zinc/56/55/64/1371565564.db2.gz QSISDUNMBRSPGF-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413959 1371565567 /nfs/dbraw/zinc/56/55/67/1371565567.db2.gz QSISDUNMBRSPGF-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC001208185832 1371625569 /nfs/dbraw/zinc/62/55/69/1371625569.db2.gz IVTCNELBVRKMAH-NHCUHLMSSA-N 3 2 341.543 3.172 20 0 EGADLP C[NH+](C)CC1(CN2CC[NH+](Cc3cccc(F)c3)CC2)CCCC1 ZINC001208192739 1371630428 /nfs/dbraw/zinc/63/04/28/1371630428.db2.gz XZZLKNGGRQLESD-UHFFFAOYSA-N 2 2 333.495 3.065 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001208387919 1371747969 /nfs/dbraw/zinc/74/79/69/1371747969.db2.gz ZJEGGVRHXKRJDH-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551827 1371813711 /nfs/dbraw/zinc/81/37/11/1371813711.db2.gz PAZOJMMRDROGTE-LAQIPUCWSA-N 2 2 340.471 3.275 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208616199 1371843726 /nfs/dbraw/zinc/84/37/26/1371843726.db2.gz JUXULFGENJRFLK-DLBZAZTESA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208616199 1371843733 /nfs/dbraw/zinc/84/37/33/1371843733.db2.gz JUXULFGENJRFLK-DLBZAZTESA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208616199 1371843735 /nfs/dbraw/zinc/84/37/35/1371843735.db2.gz JUXULFGENJRFLK-DLBZAZTESA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208616199 1371843739 /nfs/dbraw/zinc/84/37/39/1371843739.db2.gz JUXULFGENJRFLK-DLBZAZTESA-N 2 2 339.524 3.050 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617974 1371843788 /nfs/dbraw/zinc/84/37/88/1371843788.db2.gz QTADEFLHNACPJU-XQBPLPMBSA-N 2 2 341.543 3.486 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617974 1371843794 /nfs/dbraw/zinc/84/37/94/1371843794.db2.gz QTADEFLHNACPJU-XQBPLPMBSA-N 2 2 341.543 3.486 20 0 EGADLP C[C@H](c1ccccc1)[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617974 1371843799 /nfs/dbraw/zinc/84/37/99/1371843799.db2.gz QTADEFLHNACPJU-XQBPLPMBSA-N 2 2 341.543 3.486 20 0 EGADLP C[C@H](c1ccccc1)[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CN2CCC1CC2 ZINC001208617974 1371843802 /nfs/dbraw/zinc/84/38/02/1371843802.db2.gz QTADEFLHNACPJU-XQBPLPMBSA-N 2 2 341.543 3.486 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208740756 1371880183 /nfs/dbraw/zinc/88/01/83/1371880183.db2.gz UOBDAAYSDLMDFX-RTBURBONSA-N 2 2 341.886 3.341 20 0 EGADLP CC(C)=CC[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121294524 1371925618 /nfs/dbraw/zinc/92/56/18/1371925618.db2.gz BAJUFBBVYJGZKI-UHFFFAOYSA-N 2 2 338.455 3.160 20 0 EGADLP Cc1nc2c(s1)C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947416 1371959440 /nfs/dbraw/zinc/95/94/40/1371959440.db2.gz BWWWCSPJTTYYCY-KRWDZBQOSA-N 2 2 327.497 3.332 20 0 EGADLP Cc1nc2c(s1)C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947416 1371959443 /nfs/dbraw/zinc/95/94/43/1371959443.db2.gz BWWWCSPJTTYYCY-KRWDZBQOSA-N 2 2 327.497 3.332 20 0 EGADLP Cc1nc2c(s1)C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208947416 1371959444 /nfs/dbraw/zinc/95/94/44/1371959444.db2.gz BWWWCSPJTTYYCY-KRWDZBQOSA-N 2 2 327.497 3.332 20 0 EGADLP Cc1nc2c(s1)C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208947416 1371959447 /nfs/dbraw/zinc/95/94/47/1371959447.db2.gz BWWWCSPJTTYYCY-KRWDZBQOSA-N 2 2 327.497 3.332 20 0 EGADLP CCOC(=O)C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958074 1371963000 /nfs/dbraw/zinc/96/30/00/1371963000.db2.gz NQAJXMPWEGZUTI-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP CCOC(=O)C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958074 1371963001 /nfs/dbraw/zinc/96/30/01/1371963001.db2.gz NQAJXMPWEGZUTI-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP CCOC(=O)C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958074 1371963005 /nfs/dbraw/zinc/96/30/05/1371963005.db2.gz NQAJXMPWEGZUTI-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP CCOC(=O)C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001208958074 1371963009 /nfs/dbraw/zinc/96/30/09/1371963009.db2.gz NQAJXMPWEGZUTI-LJQANCHMSA-N 2 2 344.499 3.316 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]C/C=C\Cl)C3)c(C)[nH+]1 ZINC001121443264 1371976410 /nfs/dbraw/zinc/97/64/10/1371976410.db2.gz HXYNXPRDXJPOFW-PLNGDYQASA-N 2 2 347.890 3.390 20 0 EGADLP Cc1cc(N2CC[NH+](CCc3cc(F)c(F)cc3F)CC2)cc[nH+]1 ZINC001209257265 1372053121 /nfs/dbraw/zinc/05/31/21/1372053121.db2.gz KICSOUXWYBNXTG-UHFFFAOYSA-N 2 2 335.373 3.172 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209450426 1372109085 /nfs/dbraw/zinc/10/90/85/1372109085.db2.gz JDUCJYFUAVNZNS-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC001209450426 1372109088 /nfs/dbraw/zinc/10/90/88/1372109088.db2.gz JDUCJYFUAVNZNS-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001209482290 1372117552 /nfs/dbraw/zinc/11/75/52/1372117552.db2.gz HXAUKBMGVRJRFM-PMACEKPBSA-N 2 2 346.478 3.435 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1O ZINC001209532072 1372129497 /nfs/dbraw/zinc/12/94/97/1372129497.db2.gz OQXOFVNKEFLMQA-JKSUJKDBSA-N 2 2 336.451 3.379 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1O ZINC001209532072 1372129498 /nfs/dbraw/zinc/12/94/98/1372129498.db2.gz OQXOFVNKEFLMQA-JKSUJKDBSA-N 2 2 336.451 3.379 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(F)c1O ZINC001209532072 1372129501 /nfs/dbraw/zinc/12/95/01/1372129501.db2.gz OQXOFVNKEFLMQA-JKSUJKDBSA-N 2 2 336.451 3.379 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(F)c1O ZINC001209532072 1372129502 /nfs/dbraw/zinc/12/95/02/1372129502.db2.gz OQXOFVNKEFLMQA-JKSUJKDBSA-N 2 2 336.451 3.379 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001209866248 1372218020 /nfs/dbraw/zinc/21/80/20/1372218020.db2.gz QCXZKHKLBCSDER-IRXDYDNUSA-N 2 2 334.508 3.241 20 0 EGADLP CCc1cc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)nc(CC)[nH+]1 ZINC001187932297 1388193523 /nfs/dbraw/zinc/19/35/23/1388193523.db2.gz UYUJUJVFPALKQG-INIZCTEOSA-N 2 2 330.863 3.406 20 0 EGADLP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210437379 1372353200 /nfs/dbraw/zinc/35/32/00/1372353200.db2.gz JNDVWCFHNPOIHJ-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](CC(F)(F)C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211895704 1372629232 /nfs/dbraw/zinc/62/92/32/1372629232.db2.gz KHJLTZMASZIXRN-LLVKDONJSA-N 2 2 333.342 3.010 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnnn2-c2ccccc2)[nH+]1 ZINC001326487179 1388211960 /nfs/dbraw/zinc/21/19/60/1388211960.db2.gz LJURGYDVVJVPFJ-GOSISDBHSA-N 2 2 348.454 3.047 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnnn2-c2ccccc2)[nH+]1 ZINC001326487179 1388211964 /nfs/dbraw/zinc/21/19/64/1388211964.db2.gz LJURGYDVVJVPFJ-GOSISDBHSA-N 2 2 348.454 3.047 20 0 EGADLP Cc1nc(Nc2cc[nH+]c(C(C)(C)C)c2)cc(N2CCOCC2)[nH+]1 ZINC001213163173 1372851061 /nfs/dbraw/zinc/85/10/61/1372851061.db2.gz XAQVWWLJBUXNMI-UHFFFAOYSA-N 2 2 327.432 3.058 20 0 EGADLP CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001214916546 1373141445 /nfs/dbraw/zinc/14/14/45/1373141445.db2.gz FTAYANFWDLNDHH-KZNAEPCWSA-N 2 2 348.535 3.343 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@@H](C)c2cc(C)ccc2C)c[nH+]1 ZINC001130166549 1373468118 /nfs/dbraw/zinc/46/81/18/1373468118.db2.gz HJRJXJFBWBZTFA-KRWDZBQOSA-N 2 2 342.487 3.010 20 0 EGADLP Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217704506 1373491689 /nfs/dbraw/zinc/49/16/89/1373491689.db2.gz GOUXAVCXAJQPEQ-YESZJQIVSA-N 2 2 338.455 3.196 20 0 EGADLP C[N@H+](CC(=O)c1cccc(O[C@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC001218282965 1373588495 /nfs/dbraw/zinc/58/84/95/1373588495.db2.gz GGPHVJWVMFPFEC-FQEVSTJZSA-N 2 2 338.451 3.132 20 0 EGADLP C[N@@H+](CC(=O)c1cccc(O[C@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC001218282965 1373588497 /nfs/dbraw/zinc/58/84/97/1373588497.db2.gz GGPHVJWVMFPFEC-FQEVSTJZSA-N 2 2 338.451 3.132 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001131273825 1373673185 /nfs/dbraw/zinc/67/31/85/1373673185.db2.gz VTTGENJHGOAORG-INIZCTEOSA-N 2 2 336.439 3.032 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCOC2CCCCCC2)c(C)[nH+]1 ZINC001131562943 1373721643 /nfs/dbraw/zinc/72/16/43/1373721643.db2.gz QZZATQOQEGSREU-UHFFFAOYSA-N 2 2 347.503 3.066 20 0 EGADLP Clc1ncc(C[N@@H+]2CCC[C@@H](OCCC[NH+]3CCCC3)C2)s1 ZINC001224746348 1375074376 /nfs/dbraw/zinc/07/43/76/1375074376.db2.gz AJQRQOGMWIDPEI-CQSZACIVSA-N 2 2 343.924 3.263 20 0 EGADLP Clc1ncc(C[N@H+]2CCC[C@@H](OCCC[NH+]3CCCC3)C2)s1 ZINC001224746348 1375074379 /nfs/dbraw/zinc/07/43/79/1375074379.db2.gz AJQRQOGMWIDPEI-CQSZACIVSA-N 2 2 343.924 3.263 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123827 1375158506 /nfs/dbraw/zinc/15/85/06/1375158506.db2.gz JXIVHOYJJCAWKS-ROUUACIJSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123827 1375158507 /nfs/dbraw/zinc/15/85/07/1375158507.db2.gz JXIVHOYJJCAWKS-ROUUACIJSA-N 2 2 348.535 3.332 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132124827 1375158575 /nfs/dbraw/zinc/15/85/75/1375158575.db2.gz QCXOLXWHNLONGE-ROUUACIJSA-N 2 2 348.535 3.476 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132124827 1375158577 /nfs/dbraw/zinc/15/85/77/1375158577.db2.gz QCXOLXWHNLONGE-ROUUACIJSA-N 2 2 348.535 3.476 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001225969183 1375181000 /nfs/dbraw/zinc/18/10/00/1375181000.db2.gz GILGMCMTSUFPFD-CGTJXYLNSA-N 2 2 340.471 3.121 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1CCCCC1 ZINC001132222555 1375219480 /nfs/dbraw/zinc/21/94/80/1375219480.db2.gz ZQXULOLPZNCCOF-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1CCCCC1 ZINC001132222555 1375219485 /nfs/dbraw/zinc/21/94/85/1375219485.db2.gz ZQXULOLPZNCCOF-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226250806 1375226836 /nfs/dbraw/zinc/22/68/36/1375226836.db2.gz IXXFJBHKQZHYKE-BRWVUGGUSA-N 2 2 346.450 3.021 20 0 EGADLP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC001327061879 1388370843 /nfs/dbraw/zinc/37/08/43/1388370843.db2.gz MULJTWVBTLULDG-QFBILLFUSA-N 2 2 342.487 3.062 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001226965280 1375373734 /nfs/dbraw/zinc/37/37/34/1375373734.db2.gz UGUVZFVMZDJFOH-GUDVDZBRSA-N 2 2 346.519 3.287 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001227175832 1375402364 /nfs/dbraw/zinc/40/23/64/1375402364.db2.gz NQFHJUAWPWLUGL-RCCFBDPRSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1)n1cc[nH+]c1 ZINC001229384945 1375824970 /nfs/dbraw/zinc/82/49/70/1375824970.db2.gz MPRKMXZHOWCZPN-ADKAHSJRSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001133246132 1375866580 /nfs/dbraw/zinc/86/65/80/1375866580.db2.gz QQFXLYAQNQQIPM-HZPDHXFCSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606533 1376097226 /nfs/dbraw/zinc/09/72/26/1376097226.db2.gz YAKXKMRUNZSSFF-LJQANCHMSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606533 1376097233 /nfs/dbraw/zinc/09/72/33/1376097233.db2.gz YAKXKMRUNZSSFF-LJQANCHMSA-N 2 2 346.519 3.091 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)C[C@@H]2C1 ZINC001231567409 1376267510 /nfs/dbraw/zinc/26/75/10/1376267510.db2.gz SMVVENMVZYAQEX-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)C[C@@H]2C1 ZINC001231567409 1376267515 /nfs/dbraw/zinc/26/75/15/1376267515.db2.gz SMVVENMVZYAQEX-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c(Br)c3)C[C@@H]2C1 ZINC001231567409 1376267496 /nfs/dbraw/zinc/26/74/96/1376267496.db2.gz SMVVENMVZYAQEX-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Cl)c(Br)c3)C[C@@H]2C1 ZINC001231567409 1376267501 /nfs/dbraw/zinc/26/75/01/1376267501.db2.gz SMVVENMVZYAQEX-OLZOCXBDSA-N 2 2 343.696 3.486 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c[nH]2)CC1 ZINC001231578453 1376268944 /nfs/dbraw/zinc/26/89/44/1376268944.db2.gz KCXAKHKYGNKYJK-UHFFFAOYSA-N 2 2 328.298 3.474 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c[nH]2)CC1 ZINC001231578453 1376268951 /nfs/dbraw/zinc/26/89/51/1376268951.db2.gz KCXAKHKYGNKYJK-UHFFFAOYSA-N 2 2 328.298 3.474 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232014566 1376383442 /nfs/dbraw/zinc/38/34/42/1376383442.db2.gz QTSBJRBIQIQKBA-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232014566 1376383452 /nfs/dbraw/zinc/38/34/52/1376383452.db2.gz QTSBJRBIQIQKBA-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232014566 1376383461 /nfs/dbraw/zinc/38/34/61/1376383461.db2.gz QTSBJRBIQIQKBA-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232014566 1376383470 /nfs/dbraw/zinc/38/34/70/1376383470.db2.gz QTSBJRBIQIQKBA-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CC1CCCCCC1 ZINC001134231067 1376424795 /nfs/dbraw/zinc/42/47/95/1376424795.db2.gz ZIBYXPBUUQIGQV-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235741 1376427080 /nfs/dbraw/zinc/42/70/80/1376427080.db2.gz UEXVOTMHMIRPAV-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]Cc1cccc(Cl)c1 ZINC001134234768 1376427159 /nfs/dbraw/zinc/42/71/59/1376427159.db2.gz JYRPSLWYIFOTQK-KGLIPLIRSA-N 2 2 348.878 3.069 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403810 1376512859 /nfs/dbraw/zinc/51/28/59/1376512859.db2.gz UHXDTKSMBLNPOL-SJORKVTESA-N 2 2 348.535 3.071 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CCCCCC1 ZINC001134544368 1376584026 /nfs/dbraw/zinc/58/40/26/1376584026.db2.gz GGRKBBCSKNIEKX-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CCCCCC1 ZINC001134544368 1376584032 /nfs/dbraw/zinc/58/40/32/1376584032.db2.gz GGRKBBCSKNIEKX-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP COCC[N@H+](Cc1ccc2nc(Cl)ccc2c1)C1CC[NH+](C)CC1 ZINC001233444541 1376646267 /nfs/dbraw/zinc/64/62/67/1376646267.db2.gz UIGKXGGAKODJGF-UHFFFAOYSA-N 2 2 347.890 3.431 20 0 EGADLP COCC[N@@H+](Cc1ccc2nc(Cl)ccc2c1)C1CC[NH+](C)CC1 ZINC001233444541 1376646272 /nfs/dbraw/zinc/64/62/72/1376646272.db2.gz UIGKXGGAKODJGF-UHFFFAOYSA-N 2 2 347.890 3.431 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC(F)(F)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739379 1376688958 /nfs/dbraw/zinc/68/89/58/1376688958.db2.gz DDMXAIJEHCYOBR-GHMZBOCLSA-N 2 2 342.365 3.002 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134964076 1376814065 /nfs/dbraw/zinc/81/40/65/1376814065.db2.gz DYLIHTKNPPWMAC-HZPDHXFCSA-N 2 2 330.476 3.401 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963833 1376814282 /nfs/dbraw/zinc/81/42/82/1376814282.db2.gz AZMFLMCKYUQJRQ-LSDHHAIUSA-N 2 2 328.460 3.011 20 0 EGADLP FC(F)(F)c1ccccc1CCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114345 1376847240 /nfs/dbraw/zinc/84/72/40/1376847240.db2.gz LIOUDOYVSKDHKA-QGZVFWFLSA-N 2 2 342.405 3.092 20 0 EGADLP FC(F)(F)c1ccccc1CCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114345 1376847243 /nfs/dbraw/zinc/84/72/43/1376847243.db2.gz LIOUDOYVSKDHKA-QGZVFWFLSA-N 2 2 342.405 3.092 20 0 EGADLP COCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043779 1376865388 /nfs/dbraw/zinc/86/53/88/1376865388.db2.gz LKQJVCQLKSYOPG-WBVHZDCISA-N 2 2 349.519 3.310 20 0 EGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001235632943 1376881692 /nfs/dbraw/zinc/88/16/92/1376881692.db2.gz UNSFKWKJADYPJX-LJQANCHMSA-N 2 2 328.500 3.228 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235943858 1376920454 /nfs/dbraw/zinc/92/04/54/1376920454.db2.gz ZIGTYEMBECAEJN-ZYHUDNBSSA-N 2 2 334.769 3.280 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235943858 1376920461 /nfs/dbraw/zinc/92/04/61/1376920461.db2.gz ZIGTYEMBECAEJN-ZYHUDNBSSA-N 2 2 334.769 3.280 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235943913 1376921030 /nfs/dbraw/zinc/92/10/30/1376921030.db2.gz ZWPOSLRSJMIRHA-ZIAGYGMSSA-N 2 2 328.378 3.145 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235943913 1376921043 /nfs/dbraw/zinc/92/10/43/1376921043.db2.gz ZWPOSLRSJMIRHA-ZIAGYGMSSA-N 2 2 328.378 3.145 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c4c[nH]nc43)cc2)C1 ZINC001244400538 1377036598 /nfs/dbraw/zinc/03/65/98/1377036598.db2.gz VSHLJSPSUDMDPX-CQSZACIVSA-N 2 2 326.831 3.416 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)c4c[nH]nc43)cc2)C1 ZINC001244400538 1377036602 /nfs/dbraw/zinc/03/66/02/1377036602.db2.gz VSHLJSPSUDMDPX-CQSZACIVSA-N 2 2 326.831 3.416 20 0 EGADLP CCCC[C@@H]1C[C@H]([NH2+]Cc2cc(OCC3CCC3)ncn2)CC[NH2+]1 ZINC001246383001 1377051688 /nfs/dbraw/zinc/05/16/88/1377051688.db2.gz GVSPJFAVJFBNFN-IAGOWNOFSA-N 2 2 332.492 3.056 20 0 EGADLP Cc1ccc(OC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001253838915 1377102185 /nfs/dbraw/zinc/10/21/85/1377102185.db2.gz LOGSGUQXDJKFIO-TZIWHRDSSA-N 2 2 342.483 3.017 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC001257897689 1377115378 /nfs/dbraw/zinc/11/53/78/1377115378.db2.gz LGNVLPKQEOJGBX-UHFFFAOYSA-N 2 2 344.499 3.208 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135679925 1377182180 /nfs/dbraw/zinc/18/21/80/1377182180.db2.gz PNYDLYFENCMLBM-IAGOWNOFSA-N 2 2 342.487 3.024 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH2+]CC1CCC1 ZINC001135840276 1377228466 /nfs/dbraw/zinc/22/84/66/1377228466.db2.gz GHIBOESBDAZGNV-CVEARBPZSA-N 2 2 340.471 3.159 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC(C)(C)C ZINC001136460533 1377395274 /nfs/dbraw/zinc/39/52/74/1377395274.db2.gz FOVHOJUYAAQNED-UHFFFAOYSA-N 2 2 334.851 3.442 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)CC(C)(C)C ZINC001136460533 1377395280 /nfs/dbraw/zinc/39/52/80/1377395280.db2.gz FOVHOJUYAAQNED-UHFFFAOYSA-N 2 2 334.851 3.442 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3ccc4nccnc4c3)CC2)CC1 ZINC001137089829 1377476235 /nfs/dbraw/zinc/47/62/35/1377476235.db2.gz AOZNMEJIROVFKF-UHFFFAOYSA-N 2 2 328.435 3.028 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315242 1377516062 /nfs/dbraw/zinc/51/60/62/1377516062.db2.gz XXQIKPYGBZPJMG-NRFANRHFSA-N 2 2 341.499 3.491 20 0 EGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315242 1377516066 /nfs/dbraw/zinc/51/60/66/1377516066.db2.gz XXQIKPYGBZPJMG-NRFANRHFSA-N 2 2 341.499 3.491 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315242 1377516070 /nfs/dbraw/zinc/51/60/70/1377516070.db2.gz XXQIKPYGBZPJMG-NRFANRHFSA-N 2 2 341.499 3.491 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315242 1377516074 /nfs/dbraw/zinc/51/60/74/1377516074.db2.gz XXQIKPYGBZPJMG-NRFANRHFSA-N 2 2 341.499 3.491 20 0 EGADLP C[N@H+](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)CC(C)(C)C ZINC001137606096 1377571667 /nfs/dbraw/zinc/57/16/67/1377571667.db2.gz OQYOZHXYMIWODU-UHFFFAOYSA-N 2 2 346.519 3.056 20 0 EGADLP C[N@@H+](CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)CC(C)(C)C ZINC001137606096 1377571671 /nfs/dbraw/zinc/57/16/71/1377571671.db2.gz OQYOZHXYMIWODU-UHFFFAOYSA-N 2 2 346.519 3.056 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001137790198 1377617582 /nfs/dbraw/zinc/61/75/82/1377617582.db2.gz GJERNKAERVWHGC-ROUUACIJSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001137790198 1377617583 /nfs/dbraw/zinc/61/75/83/1377617583.db2.gz GJERNKAERVWHGC-ROUUACIJSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001137790198 1377617584 /nfs/dbraw/zinc/61/75/84/1377617584.db2.gz GJERNKAERVWHGC-ROUUACIJSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001137790198 1377617585 /nfs/dbraw/zinc/61/75/85/1377617585.db2.gz GJERNKAERVWHGC-ROUUACIJSA-N 2 2 330.472 3.312 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)ccn12 ZINC001272020930 1377654481 /nfs/dbraw/zinc/65/44/81/1377654481.db2.gz SQJURRJGUVLWMG-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)ccn12 ZINC001272020930 1377654485 /nfs/dbraw/zinc/65/44/85/1377654485.db2.gz SQJURRJGUVLWMG-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@H]3C2)nc1 ZINC001138107260 1377678116 /nfs/dbraw/zinc/67/81/16/1377678116.db2.gz OCZKDTOFKFDQFK-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP C[N@H+](Cc1cc(O)cc(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138324340 1377701898 /nfs/dbraw/zinc/70/18/98/1377701898.db2.gz NPFZQJRKQUICBE-UHFFFAOYSA-N 2 2 326.440 3.194 20 0 EGADLP C[N@@H+](Cc1cc(O)cc(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001138324340 1377701899 /nfs/dbraw/zinc/70/18/99/1377701899.db2.gz NPFZQJRKQUICBE-UHFFFAOYSA-N 2 2 326.440 3.194 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001138418530 1377720398 /nfs/dbraw/zinc/72/03/98/1377720398.db2.gz QZGKOFHOCZBFKN-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138429091 1377722673 /nfs/dbraw/zinc/72/26/73/1377722673.db2.gz SNDDBIGDMBEOFT-HXUWFJFHSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC001138429091 1377722674 /nfs/dbraw/zinc/72/26/74/1377722674.db2.gz SNDDBIGDMBEOFT-HXUWFJFHSA-N 2 2 346.515 3.387 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(C)s1 ZINC001138569514 1377744062 /nfs/dbraw/zinc/74/40/62/1377744062.db2.gz KTUNCZMPJDOKKQ-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c2c(OC)cccc12 ZINC001138751068 1377780311 /nfs/dbraw/zinc/78/03/11/1377780311.db2.gz XCGWDYFCIBETGS-UHFFFAOYSA-N 2 2 328.456 3.383 20 0 EGADLP CCC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001138967673 1377810951 /nfs/dbraw/zinc/81/09/51/1377810951.db2.gz UKBAOJUBAAIMKU-GOSISDBHSA-N 2 2 340.423 3.359 20 0 EGADLP CCC(=O)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001138967673 1377810952 /nfs/dbraw/zinc/81/09/52/1377810952.db2.gz UKBAOJUBAAIMKU-GOSISDBHSA-N 2 2 340.423 3.359 20 0 EGADLP CCOc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC(C)=O ZINC001139007381 1377816994 /nfs/dbraw/zinc/81/69/94/1377816994.db2.gz FFLJSZRBMRQKRI-UHFFFAOYSA-N 2 2 348.487 3.315 20 0 EGADLP CCOc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1OC(C)=O ZINC001139007381 1377816995 /nfs/dbraw/zinc/81/69/95/1377816995.db2.gz FFLJSZRBMRQKRI-UHFFFAOYSA-N 2 2 348.487 3.315 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074685 1377824528 /nfs/dbraw/zinc/82/45/28/1377824528.db2.gz PQLQTIPCUNIPOS-AWEZNQCLSA-N 2 2 346.814 3.425 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074685 1377824529 /nfs/dbraw/zinc/82/45/29/1377824529.db2.gz PQLQTIPCUNIPOS-AWEZNQCLSA-N 2 2 346.814 3.425 20 0 EGADLP CC[N@H+](Cc1ccc(Oc2ncccn2)cc1)C1CC[NH+](C)CC1 ZINC001139080883 1377826678 /nfs/dbraw/zinc/82/66/78/1377826678.db2.gz MRFXMXBDPDYWLP-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP CC[N@@H+](Cc1ccc(Oc2ncccn2)cc1)C1CC[NH+](C)CC1 ZINC001139080883 1377826680 /nfs/dbraw/zinc/82/66/80/1377826680.db2.gz MRFXMXBDPDYWLP-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP COc1ccc2c(c1)c(C[NH+]1CCC([N@H+](C)C3CC3)CC1)cn2C ZINC001139149856 1377839459 /nfs/dbraw/zinc/83/94/59/1377839459.db2.gz NSBGFYJYNAISMJ-UHFFFAOYSA-N 2 2 327.472 3.246 20 0 EGADLP COc1ccc2c(c1)c(C[NH+]1CCC([N@@H+](C)C3CC3)CC1)cn2C ZINC001139149856 1377839462 /nfs/dbraw/zinc/83/94/62/1377839462.db2.gz NSBGFYJYNAISMJ-UHFFFAOYSA-N 2 2 327.472 3.246 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4cc(Br)ccc4[nH]3)C[C@H]2C1 ZINC001139186000 1377846284 /nfs/dbraw/zinc/84/62/84/1377846284.db2.gz JWNHAZPENHFYGW-ZIAGYGMSSA-N 2 2 348.288 3.314 20 0 EGADLP COC(=O)CC[N@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360158 1377873333 /nfs/dbraw/zinc/87/33/33/1377873333.db2.gz IPCNQSFROIQGSV-UHFFFAOYSA-N 2 2 339.395 3.031 20 0 EGADLP COC(=O)CC[N@@H+](Cc1ccco1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139360158 1377873339 /nfs/dbraw/zinc/87/33/39/1377873339.db2.gz IPCNQSFROIQGSV-UHFFFAOYSA-N 2 2 339.395 3.031 20 0 EGADLP Cc1ccnc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC001139364548 1377874558 /nfs/dbraw/zinc/87/45/58/1377874558.db2.gz WGQDWWWTNHILRH-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139363594 1377874794 /nfs/dbraw/zinc/87/47/94/1377874794.db2.gz HDSVKSKDIQRGEX-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139363594 1377874795 /nfs/dbraw/zinc/87/47/95/1377874795.db2.gz HDSVKSKDIQRGEX-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762201 1377947971 /nfs/dbraw/zinc/94/79/71/1377947971.db2.gz VDTMOGVFZHYGDI-VQTJNVASSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762201 1377947973 /nfs/dbraw/zinc/94/79/73/1377947973.db2.gz VDTMOGVFZHYGDI-VQTJNVASSA-N 2 2 344.499 3.020 20 0 EGADLP CCC(CC)[N@H+](CC)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764089 1377948094 /nfs/dbraw/zinc/94/80/94/1377948094.db2.gz DVHUAFIBTCDFDD-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP CCC(CC)[N@@H+](CC)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139764089 1377948095 /nfs/dbraw/zinc/94/80/95/1377948095.db2.gz DVHUAFIBTCDFDD-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(-c2cccc(OC)c2)nc1 ZINC001140193940 1378030200 /nfs/dbraw/zinc/03/02/00/1378030200.db2.gz MWVRZVOVCCTLNS-UHFFFAOYSA-N 2 2 342.487 3.316 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(-c2cccc(OC)c2)nc1 ZINC001140193940 1378030201 /nfs/dbraw/zinc/03/02/01/1378030201.db2.gz MWVRZVOVCCTLNS-UHFFFAOYSA-N 2 2 342.487 3.316 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+](Cc2cc[nH]c2)CC3)cs1 ZINC001140707113 1378120304 /nfs/dbraw/zinc/12/03/04/1378120304.db2.gz YXKMIOKHLXGQQR-UHFFFAOYSA-N 2 2 330.501 3.410 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+](Cc2cc[nH]c2)CC3)cs1 ZINC001140707113 1378120308 /nfs/dbraw/zinc/12/03/08/1378120308.db2.gz YXKMIOKHLXGQQR-UHFFFAOYSA-N 2 2 330.501 3.410 20 0 EGADLP CN(C(=O)c1ccccc1)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140806987 1378145553 /nfs/dbraw/zinc/14/55/53/1378145553.db2.gz YPTBHLJRVFKRLF-UHFFFAOYSA-N 2 2 348.450 3.300 20 0 EGADLP CNc1nc(SC)ncc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140842719 1378156972 /nfs/dbraw/zinc/15/69/72/1378156972.db2.gz OSHSSLUYVNQJTO-UHFFFAOYSA-N 2 2 349.548 3.079 20 0 EGADLP CNc1nc(SC)ncc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140842719 1378156975 /nfs/dbraw/zinc/15/69/75/1378156975.db2.gz OSHSSLUYVNQJTO-UHFFFAOYSA-N 2 2 349.548 3.079 20 0 EGADLP Oc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892854 1378161643 /nfs/dbraw/zinc/16/16/43/1378161643.db2.gz YMDGQVRVDRIWHD-FQEVSTJZSA-N 2 2 325.456 3.208 20 0 EGADLP Oc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892854 1378161647 /nfs/dbraw/zinc/16/16/47/1378161647.db2.gz YMDGQVRVDRIWHD-FQEVSTJZSA-N 2 2 325.456 3.208 20 0 EGADLP Oc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892854 1378161659 /nfs/dbraw/zinc/16/16/59/1378161659.db2.gz YMDGQVRVDRIWHD-FQEVSTJZSA-N 2 2 325.456 3.208 20 0 EGADLP Oc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892854 1378161663 /nfs/dbraw/zinc/16/16/63/1378161663.db2.gz YMDGQVRVDRIWHD-FQEVSTJZSA-N 2 2 325.456 3.208 20 0 EGADLP CS[C@@H](C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470360 1378174091 /nfs/dbraw/zinc/17/40/91/1378174091.db2.gz MTBNHVLUYKFDNX-QFBILLFUSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@@H](C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470360 1378174096 /nfs/dbraw/zinc/17/40/96/1378174096.db2.gz MTBNHVLUYKFDNX-QFBILLFUSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470360 1378174100 /nfs/dbraw/zinc/17/41/00/1378174100.db2.gz MTBNHVLUYKFDNX-QFBILLFUSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470360 1378174102 /nfs/dbraw/zinc/17/41/02/1378174102.db2.gz MTBNHVLUYKFDNX-QFBILLFUSA-N 2 2 349.544 3.217 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054678 1378223297 /nfs/dbraw/zinc/22/32/97/1378223297.db2.gz QWIMRYILZFQKKF-UHOSZYNNSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054678 1378223300 /nfs/dbraw/zinc/22/33/00/1378223300.db2.gz QWIMRYILZFQKKF-UHOSZYNNSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054678 1378223305 /nfs/dbraw/zinc/22/33/05/1378223305.db2.gz QWIMRYILZFQKKF-UHOSZYNNSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001141054678 1378223310 /nfs/dbraw/zinc/22/33/10/1378223310.db2.gz QWIMRYILZFQKKF-UHOSZYNNSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001141455153 1378328119 /nfs/dbraw/zinc/32/81/19/1378328119.db2.gz DVCHAYNBFUUJDG-AWEZNQCLSA-N 2 2 326.444 3.131 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001141455153 1378328125 /nfs/dbraw/zinc/32/81/25/1378328125.db2.gz DVCHAYNBFUUJDG-AWEZNQCLSA-N 2 2 326.444 3.131 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC001142276644 1378427527 /nfs/dbraw/zinc/42/75/27/1378427527.db2.gz AWWMNGJSWPDMFO-KRWDZBQOSA-N 2 2 340.423 3.205 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCO3)C1 ZINC001142276644 1378427530 /nfs/dbraw/zinc/42/75/30/1378427530.db2.gz AWWMNGJSWPDMFO-KRWDZBQOSA-N 2 2 340.423 3.205 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405084 1378439913 /nfs/dbraw/zinc/43/99/13/1378439913.db2.gz LZJZRXZKLOTXJJ-PXAZEXFGSA-N 2 2 348.288 3.456 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405084 1378439917 /nfs/dbraw/zinc/43/99/17/1378439917.db2.gz LZJZRXZKLOTXJJ-PXAZEXFGSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405084 1378439922 /nfs/dbraw/zinc/43/99/22/1378439922.db2.gz LZJZRXZKLOTXJJ-PXAZEXFGSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405084 1378439926 /nfs/dbraw/zinc/43/99/26/1378439926.db2.gz LZJZRXZKLOTXJJ-PXAZEXFGSA-N 2 2 348.288 3.456 20 0 EGADLP C[N@@H+](Cc1ccc2nccn2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001143028157 1378529199 /nfs/dbraw/zinc/52/91/99/1378529199.db2.gz VVPVEAOMGOVCCH-HXUWFJFHSA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1ccc2nccn2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001143028157 1378529203 /nfs/dbraw/zinc/52/92/03/1378529203.db2.gz VVPVEAOMGOVCCH-HXUWFJFHSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1ccc2nccn2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001143028157 1378529209 /nfs/dbraw/zinc/52/92/09/1378529209.db2.gz VVPVEAOMGOVCCH-HXUWFJFHSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1ccc2nccn2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001143028157 1378529213 /nfs/dbraw/zinc/52/92/13/1378529213.db2.gz VVPVEAOMGOVCCH-HXUWFJFHSA-N 2 2 334.467 3.288 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001143035185 1378530743 /nfs/dbraw/zinc/53/07/43/1378530743.db2.gz GVIRNBJVNQRJNV-UXHICEINSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2[nH+]1 ZINC001143035185 1378530744 /nfs/dbraw/zinc/53/07/44/1378530744.db2.gz GVIRNBJVNQRJNV-UXHICEINSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC001143033869 1378530771 /nfs/dbraw/zinc/53/07/71/1378530771.db2.gz LOFNSRYGVSLIPS-RTWAWAEBSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2cc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH+]1 ZINC001143033869 1378530772 /nfs/dbraw/zinc/53/07/72/1378530772.db2.gz LOFNSRYGVSLIPS-RTWAWAEBSA-N 2 2 346.478 3.288 20 0 EGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(O)cn3)C[C@@H]21 ZINC001144258857 1378706318 /nfs/dbraw/zinc/70/63/18/1378706318.db2.gz FKPGNQJESAIMKR-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(O)cn3)C[C@@H]21 ZINC001144258857 1378706321 /nfs/dbraw/zinc/70/63/21/1378706321.db2.gz FKPGNQJESAIMKR-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(O)cn3)C[C@@H]21 ZINC001144258857 1378706323 /nfs/dbraw/zinc/70/63/23/1378706323.db2.gz FKPGNQJESAIMKR-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(O)cn3)C[C@@H]21 ZINC001144258857 1378706324 /nfs/dbraw/zinc/70/63/24/1378706324.db2.gz FKPGNQJESAIMKR-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP Oc1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001144263264 1378706970 /nfs/dbraw/zinc/70/69/70/1378706970.db2.gz QZLHWSSYTMUJJX-XWDORNJCSA-N 2 2 339.483 3.182 20 0 EGADLP Oc1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001144263264 1378706976 /nfs/dbraw/zinc/70/69/76/1378706976.db2.gz QZLHWSSYTMUJJX-XWDORNJCSA-N 2 2 339.483 3.182 20 0 EGADLP Oc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001144263264 1378706978 /nfs/dbraw/zinc/70/69/78/1378706978.db2.gz QZLHWSSYTMUJJX-XWDORNJCSA-N 2 2 339.483 3.182 20 0 EGADLP Oc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc1 ZINC001144263264 1378706984 /nfs/dbraw/zinc/70/69/84/1378706984.db2.gz QZLHWSSYTMUJJX-XWDORNJCSA-N 2 2 339.483 3.182 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712631 1378905184 /nfs/dbraw/zinc/90/51/84/1378905184.db2.gz DRCIEKQUYLABBB-DLBZAZTESA-N 2 2 334.508 3.117 20 0 EGADLP CC(C)CCC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787747 1379078309 /nfs/dbraw/zinc/07/83/09/1379078309.db2.gz FUCULHMZABXFJV-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)CCC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147787747 1379078312 /nfs/dbraw/zinc/07/83/12/1379078312.db2.gz FUCULHMZABXFJV-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CC1CCCCC1 ZINC001284148335 1379542684 /nfs/dbraw/zinc/54/26/84/1379542684.db2.gz JFNGIWWOVPAADU-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1CCCCC1 ZINC001284148335 1379542688 /nfs/dbraw/zinc/54/26/88/1379542688.db2.gz JFNGIWWOVPAADU-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478449 1380083475 /nfs/dbraw/zinc/08/34/75/1380083475.db2.gz YLZLUYDXEBPJNK-QGZVFWFLSA-N 2 2 348.535 3.169 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001153478449 1380083477 /nfs/dbraw/zinc/08/34/77/1380083477.db2.gz YLZLUYDXEBPJNK-QGZVFWFLSA-N 2 2 348.535 3.169 20 0 EGADLP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930102 1380157015 /nfs/dbraw/zinc/15/70/15/1380157015.db2.gz GWPZQYDPNHZUDY-JTUDCUDASA-N 2 2 340.899 3.049 20 0 EGADLP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930102 1380157016 /nfs/dbraw/zinc/15/70/16/1380157016.db2.gz GWPZQYDPNHZUDY-JTUDCUDASA-N 2 2 340.899 3.049 20 0 EGADLP Cc1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc(C(C)(C)C)[nH+]1 ZINC001155381361 1380443817 /nfs/dbraw/zinc/44/38/17/1380443817.db2.gz BCZMDPFFNWJDJA-OAHLLOKOSA-N 2 2 332.492 3.043 20 0 EGADLP Cc1cccc2c(C)cc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC001155591331 1380471136 /nfs/dbraw/zinc/47/11/36/1380471136.db2.gz HNUFPXRZAPLARK-OXQOHEQNSA-N 2 2 325.456 3.422 20 0 EGADLP Clc1ccc2c(cc[nH+]c2NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001155595223 1380471410 /nfs/dbraw/zinc/47/14/10/1380471410.db2.gz BVKYTTJQZDFXAX-ACJLOTCBSA-N 2 2 331.847 3.459 20 0 EGADLP C[NH+](C)C1(CNc2nccc3cc(Cl)ccc32)CC[NH+](C)CC1 ZINC001156182611 1380537745 /nfs/dbraw/zinc/53/77/45/1380537745.db2.gz ZDBBXTXXCHCJAW-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP Cc1cc2[nH]ccc2c(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)[nH+]1 ZINC001156215529 1380544016 /nfs/dbraw/zinc/54/40/16/1380544016.db2.gz PFDAQMJTUZTDIF-UHFFFAOYSA-N 2 2 331.423 3.225 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001156398980 1380571354 /nfs/dbraw/zinc/57/13/54/1380571354.db2.gz KXKKXNFSPVTEOO-UHFFFAOYSA-N 2 2 339.439 3.029 20 0 EGADLP C[C@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217098 1381161031 /nfs/dbraw/zinc/16/10/31/1381161031.db2.gz CLIYJMOSLMBJKT-JKSUJKDBSA-N 2 2 346.450 3.009 20 0 EGADLP C[C@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217098 1381161036 /nfs/dbraw/zinc/16/10/36/1381161036.db2.gz CLIYJMOSLMBJKT-JKSUJKDBSA-N 2 2 346.450 3.009 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296604 1381189060 /nfs/dbraw/zinc/18/90/60/1381189060.db2.gz PXJZYKWQDVJPKW-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296604 1381189065 /nfs/dbraw/zinc/18/90/65/1381189065.db2.gz PXJZYKWQDVJPKW-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468256 1381254275 /nfs/dbraw/zinc/25/42/75/1381254275.db2.gz PUUJHKSRYSSVRX-IAGOWNOFSA-N 2 2 346.519 3.333 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468256 1381254283 /nfs/dbraw/zinc/25/42/83/1381254283.db2.gz PUUJHKSRYSSVRX-IAGOWNOFSA-N 2 2 346.519 3.333 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533879 1381285456 /nfs/dbraw/zinc/28/54/56/1381285456.db2.gz JUUUAEAGCBNHDX-OOFWQKGWSA-N 2 2 332.492 3.012 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533879 1381285460 /nfs/dbraw/zinc/28/54/60/1381285460.db2.gz JUUUAEAGCBNHDX-OOFWQKGWSA-N 2 2 332.492 3.012 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571378 1381304605 /nfs/dbraw/zinc/30/46/05/1381304605.db2.gz FXBRFAOOJZASFK-IEBWSBKVSA-N 2 2 348.535 3.482 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571378 1381304613 /nfs/dbraw/zinc/30/46/13/1381304613.db2.gz FXBRFAOOJZASFK-IEBWSBKVSA-N 2 2 348.535 3.482 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571378 1381304621 /nfs/dbraw/zinc/30/46/21/1381304621.db2.gz FXBRFAOOJZASFK-IEBWSBKVSA-N 2 2 348.535 3.482 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571378 1381304628 /nfs/dbraw/zinc/30/46/28/1381304628.db2.gz FXBRFAOOJZASFK-IEBWSBKVSA-N 2 2 348.535 3.482 20 0 EGADLP Clc1ccc2[nH+]ccc(Nc3ccc(N4CC[NH2+]CC4)cc3)c2c1 ZINC001159154020 1381672874 /nfs/dbraw/zinc/67/28/74/1381672874.db2.gz MGJLMXXPHSUOSE-UHFFFAOYSA-N 2 2 338.842 3.463 20 0 EGADLP c1cc([NH+]2CCCCC2)ccc1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC001159163710 1381686757 /nfs/dbraw/zinc/68/67/57/1381686757.db2.gz BYYRRADZIWNGNS-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP COc1cc(C)c(C)cc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261861 1381746864 /nfs/dbraw/zinc/74/68/64/1381746864.db2.gz RLGCOZOBAVZAAO-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP c1cn(-c2ccc(Nc3cccc(CN4CC[NH2+]CC4)c3)cc2)c[nH+]1 ZINC001159431191 1381792332 /nfs/dbraw/zinc/79/23/32/1381792332.db2.gz XKEVNIKPLUSKDI-UHFFFAOYSA-N 2 2 333.439 3.021 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001160336689 1382076185 /nfs/dbraw/zinc/07/61/85/1382076185.db2.gz IYHPKUQNBFRUMB-DAXOMENPSA-N 2 2 346.862 3.024 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001160336689 1382076188 /nfs/dbraw/zinc/07/61/88/1382076188.db2.gz IYHPKUQNBFRUMB-DAXOMENPSA-N 2 2 346.862 3.024 20 0 EGADLP Cc1ccc(Nc2ccc(C)[nH+]c2C)c(C(=O)NC2CC[NH2+]CC2)c1 ZINC001160368365 1382084980 /nfs/dbraw/zinc/08/49/80/1382084980.db2.gz SUGSBBHNBFTXEF-UHFFFAOYSA-N 2 2 338.455 3.232 20 0 EGADLP Cc1ccccc1C[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528986 1382132914 /nfs/dbraw/zinc/13/29/14/1382132914.db2.gz ZKJSIBMVLXQXIW-IBGZPJMESA-N 2 2 342.487 3.075 20 0 EGADLP C[NH+](C)Cc1ccc(Br)c(NCCCn2cc[nH+]c2)c1 ZINC001161689342 1382481916 /nfs/dbraw/zinc/48/19/16/1382481916.db2.gz NZACWFWQIMTPFB-UHFFFAOYSA-N 2 2 337.265 3.209 20 0 EGADLP COc1cc(C)c[nH+]c1N(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001162196999 1382654707 /nfs/dbraw/zinc/65/47/07/1382654707.db2.gz GCIOFRIFTZXDFM-QAQDUYKDSA-N 2 2 326.444 3.070 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1c(Br)c[nH+]c2ccccc21 ZINC001162467693 1382766420 /nfs/dbraw/zinc/76/64/20/1382766420.db2.gz RTPMJBSDPNHUFX-OLZOCXBDSA-N 2 2 348.288 3.467 20 0 EGADLP [NH3+][C@H]1Cc2ccccc2N(c2c[nH+]c3c(Br)cccn23)C1 ZINC001162851001 1382894680 /nfs/dbraw/zinc/89/46/80/1382894680.db2.gz WKNKVXHNZIZPMX-LBPRGKRZSA-N 2 2 343.228 3.118 20 0 EGADLP CCCc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc(CCC)[nH+]1 ZINC001163058082 1382957513 /nfs/dbraw/zinc/95/75/13/1382957513.db2.gz VTQUVJOFBDICIY-MRXNPFEDSA-N 2 2 341.503 3.405 20 0 EGADLP CCCN(CCC)c1cc(N[C@H](C[NH3+])c2cccc(OC)c2)nc[nH+]1 ZINC001163308365 1383017535 /nfs/dbraw/zinc/01/75/35/1383017535.db2.gz BPPLXSRNCAGXDV-QGZVFWFLSA-N 2 2 343.475 3.224 20 0 EGADLP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(N(CCC[NH3+])C(C)C)c12 ZINC001164121413 1383158332 /nfs/dbraw/zinc/15/83/32/1383158332.db2.gz LJUWVDFWOBWXSN-UHFFFAOYSA-N 2 2 341.459 3.253 20 0 EGADLP C[NH+](C)C1(CNc2c(F)cccc2Br)CC[NH+](C)CC1 ZINC001164212048 1383166736 /nfs/dbraw/zinc/16/67/36/1383166736.db2.gz WSJBKUXOLHKREF-UHFFFAOYSA-N 2 2 344.272 3.026 20 0 EGADLP COc1cc[nH+]c(N(c2cccc(C)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165770411 1383343115 /nfs/dbraw/zinc/34/31/15/1383343115.db2.gz GJYKLYYXHMRMJQ-YLJYHZDGSA-N 2 2 339.439 3.058 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167422049 1383629469 /nfs/dbraw/zinc/62/94/69/1383629469.db2.gz HDWPYGFDPGZARR-INIZCTEOSA-N 2 2 348.535 3.291 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167422049 1383629471 /nfs/dbraw/zinc/62/94/71/1383629471.db2.gz HDWPYGFDPGZARR-INIZCTEOSA-N 2 2 348.535 3.291 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1)n1cc[nH+]c1 ZINC001167428059 1383632226 /nfs/dbraw/zinc/63/22/26/1383632226.db2.gz GIVSDOFAWKHCLQ-INIZCTEOSA-N 2 2 340.471 3.008 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(NCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC001167752081 1383731107 /nfs/dbraw/zinc/73/11/07/1383731107.db2.gz RGSXSKVHBNMBMV-HNNXBMFYSA-N 2 2 333.476 3.172 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(NCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001167752081 1383731109 /nfs/dbraw/zinc/73/11/09/1383731109.db2.gz RGSXSKVHBNMBMV-HNNXBMFYSA-N 2 2 333.476 3.172 20 0 EGADLP COc1cccc2c1OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981566 1383786911 /nfs/dbraw/zinc/78/69/11/1383786911.db2.gz AQORUVANODGUAL-YCXXCVGLSA-N 2 2 328.456 3.124 20 0 EGADLP COc1cccc2c1OC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981566 1383786915 /nfs/dbraw/zinc/78/69/15/1383786915.db2.gz AQORUVANODGUAL-YCXXCVGLSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001167991642 1383789559 /nfs/dbraw/zinc/78/95/59/1383789559.db2.gz MUJVGCLIHKARBA-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001167991642 1383789561 /nfs/dbraw/zinc/78/95/61/1383789561.db2.gz MUJVGCLIHKARBA-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001303303057 1383792317 /nfs/dbraw/zinc/79/23/17/1383792317.db2.gz GTYDCYWFVWYPCD-LJQANCHMSA-N 2 2 349.494 3.201 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccncc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168030790 1383800488 /nfs/dbraw/zinc/80/04/88/1383800488.db2.gz XODGRYYBIOWYIZ-JWWGGVBKSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccncc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030790 1383800490 /nfs/dbraw/zinc/80/04/90/1383800490.db2.gz XODGRYYBIOWYIZ-JWWGGVBKSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1CC(n2cc[nH+]c2CCC[NH3+])C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039469 1383802813 /nfs/dbraw/zinc/80/28/13/1383802813.db2.gz FHGOSJITSSTMMF-IAGOWNOFSA-N 3 2 326.488 3.389 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCO[C@@H](C)C2)CC3)cs1 ZINC001168114952 1383820263 /nfs/dbraw/zinc/82/02/63/1383820263.db2.gz JTWLTSBWRZNWJR-YJBOKZPZSA-N 2 2 349.544 3.449 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCO[C@@H](C)C2)CC3)cs1 ZINC001168114952 1383820264 /nfs/dbraw/zinc/82/02/64/1383820264.db2.gz JTWLTSBWRZNWJR-YJBOKZPZSA-N 2 2 349.544 3.449 20 0 EGADLP CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001168144862 1383827000 /nfs/dbraw/zinc/82/70/00/1383827000.db2.gz HTGDAKVBBDNTAG-KRWDZBQOSA-N 2 2 332.488 3.444 20 0 EGADLP CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001168144862 1383827003 /nfs/dbraw/zinc/82/70/03/1383827003.db2.gz HTGDAKVBBDNTAG-KRWDZBQOSA-N 2 2 332.488 3.444 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168286153 1383863878 /nfs/dbraw/zinc/86/38/78/1383863878.db2.gz ISJFTEXSONHLKM-FQEVSTJZSA-N 2 2 333.435 3.480 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168286153 1383863883 /nfs/dbraw/zinc/86/38/83/1383863883.db2.gz ISJFTEXSONHLKM-FQEVSTJZSA-N 2 2 333.435 3.480 20 0 EGADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168364526 1383884633 /nfs/dbraw/zinc/88/46/33/1383884633.db2.gz FJXZJGGWKRHMKD-UHFFFAOYSA-N 3 2 345.506 3.036 20 0 EGADLP Cc1nc(NCC2([NH+]3CCOCC3)CCCCC2)c2c([nH+]1)CCCC2 ZINC001306911626 1383919043 /nfs/dbraw/zinc/91/90/43/1383919043.db2.gz WESOCGXSTCEUKB-UHFFFAOYSA-N 2 2 344.503 3.111 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168673070 1383965814 /nfs/dbraw/zinc/96/58/14/1383965814.db2.gz PZUJXNIBUINTJX-HKUYNNGSSA-N 2 2 329.444 3.134 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168673070 1383965819 /nfs/dbraw/zinc/96/58/19/1383965819.db2.gz PZUJXNIBUINTJX-HKUYNNGSSA-N 2 2 329.444 3.134 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)c1 ZINC001168744349 1383988410 /nfs/dbraw/zinc/98/84/10/1383988410.db2.gz OUAHOVYLVIICLQ-OAHLLOKOSA-N 2 2 343.858 3.033 20 0 EGADLP COC(=O)C1(C)CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001168771080 1383998637 /nfs/dbraw/zinc/99/86/37/1383998637.db2.gz RVQRJKBKRWDSKF-UHFFFAOYSA-N 2 2 327.428 3.303 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307668940 1384010571 /nfs/dbraw/zinc/01/05/71/1384010571.db2.gz JENHXNQUFRPPHH-ZIAGYGMSSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307668940 1384010579 /nfs/dbraw/zinc/01/05/79/1384010579.db2.gz JENHXNQUFRPPHH-ZIAGYGMSSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831277 1384024507 /nfs/dbraw/zinc/02/45/07/1384024507.db2.gz UVQKPFSVDGDMKL-HRCADAONSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831277 1384024509 /nfs/dbraw/zinc/02/45/09/1384024509.db2.gz UVQKPFSVDGDMKL-HRCADAONSA-N 2 2 339.524 3.094 20 0 EGADLP CC[NH+](CC)C1CC[NH+]([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168862556 1384037746 /nfs/dbraw/zinc/03/77/46/1384037746.db2.gz FRERZXXTAMEPGV-NVXWUHKLSA-N 2 2 339.524 3.191 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)n1)C2 ZINC001169102146 1384107407 /nfs/dbraw/zinc/10/74/07/1384107407.db2.gz XSEQQPOQFIDEQX-ZSBIGDGJSA-N 2 2 344.684 3.212 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)n1)C2 ZINC001169102146 1384107409 /nfs/dbraw/zinc/10/74/09/1384107409.db2.gz XSEQQPOQFIDEQX-ZSBIGDGJSA-N 2 2 344.684 3.212 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001308282758 1384116277 /nfs/dbraw/zinc/11/62/77/1384116277.db2.gz MWYXNACMOSLHGS-TZIWHRDSSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001308282758 1384116281 /nfs/dbraw/zinc/11/62/81/1384116281.db2.gz MWYXNACMOSLHGS-TZIWHRDSSA-N 2 2 342.458 3.107 20 0 EGADLP CCOc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC001308338198 1384120335 /nfs/dbraw/zinc/12/03/35/1384120335.db2.gz RGHAOBNQASUYGP-SFHVURJKSA-N 2 2 340.471 3.233 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(F)cc1Br ZINC001308377974 1384122956 /nfs/dbraw/zinc/12/29/56/1384122956.db2.gz CJVURQKKYZGKLK-UHFFFAOYSA-N 2 2 338.224 3.339 20 0 EGADLP Brc1ccc2[nH]c(NCC34CC[NH+](CC3)CC4)[nH+]c2c1 ZINC001169795920 1384186964 /nfs/dbraw/zinc/18/69/64/1384186964.db2.gz HJZNJBHFYBYLBD-UHFFFAOYSA-N 2 2 335.249 3.223 20 0 EGADLP Brc1ccc2[nH+]c(NCC34CC[NH+](CC3)CC4)[nH]c2c1 ZINC001169795920 1384186965 /nfs/dbraw/zinc/18/69/65/1384186965.db2.gz HJZNJBHFYBYLBD-UHFFFAOYSA-N 2 2 335.249 3.223 20 0 EGADLP CC1(C)CC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC(C)(C)N1O ZINC001169974252 1384208508 /nfs/dbraw/zinc/20/85/08/1384208508.db2.gz BOFNCDUWCBQHMW-UHFFFAOYSA-N 2 2 331.504 3.119 20 0 EGADLP C[C@@H](Cc1ccccc1Cl)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001170259545 1384277757 /nfs/dbraw/zinc/27/77/57/1384277757.db2.gz DPVNRFIAMTYRSQ-YSSFQJQWSA-N 2 2 343.902 3.072 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001170471946 1384326366 /nfs/dbraw/zinc/32/63/66/1384326366.db2.gz JBPZJCPEENWUER-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170868796 1384401864 /nfs/dbraw/zinc/40/18/64/1384401864.db2.gz NMOLTKGGXSGNCO-KRWDZBQOSA-N 2 2 337.305 3.332 20 0 EGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170868796 1384401865 /nfs/dbraw/zinc/40/18/65/1384401865.db2.gz NMOLTKGGXSGNCO-KRWDZBQOSA-N 2 2 337.305 3.332 20 0 EGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045545 1384435724 /nfs/dbraw/zinc/43/57/24/1384435724.db2.gz UGNNOWHUIJYXDB-KRWDZBQOSA-N 2 2 336.907 3.240 20 0 EGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045545 1384435726 /nfs/dbraw/zinc/43/57/26/1384435726.db2.gz UGNNOWHUIJYXDB-KRWDZBQOSA-N 2 2 336.907 3.240 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171236058 1384476550 /nfs/dbraw/zinc/47/65/50/1384476550.db2.gz HVJAGJDKDVVYET-IHWFROFDSA-N 2 2 343.515 3.144 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171236058 1384476552 /nfs/dbraw/zinc/47/65/52/1384476552.db2.gz HVJAGJDKDVVYET-IHWFROFDSA-N 2 2 343.515 3.144 20 0 EGADLP COc1cccc2[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)ccc21 ZINC001171282762 1384485318 /nfs/dbraw/zinc/48/53/18/1384485318.db2.gz BHHIGCSEBBQQMW-UHFFFAOYSA-N 2 2 348.450 3.265 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C1)C2 ZINC001171566714 1384565240 /nfs/dbraw/zinc/56/52/40/1384565240.db2.gz KUWUYFYTKNBIAM-VSKRKVRLSA-N 2 2 347.506 3.311 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171596071 1384574430 /nfs/dbraw/zinc/57/44/30/1384574430.db2.gz KCIKBOPOEFCSMC-MSOLQXFVSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2cncnc2C(F)(F)F)CC1(C)C ZINC001171629897 1384585796 /nfs/dbraw/zinc/58/57/96/1384585796.db2.gz ZBXQIEBQPNLWQJ-UHFFFAOYSA-N 2 2 330.398 3.236 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641004 1384589891 /nfs/dbraw/zinc/58/98/91/1384589891.db2.gz LUSSVHNVIVCSCE-UHFFFAOYSA-N 3 2 330.520 3.163 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001171917441 1384680761 /nfs/dbraw/zinc/68/07/61/1384680761.db2.gz YRFUHWSIDTVBTR-ABHNRTSZSA-N 2 2 336.520 3.351 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001171917441 1384680764 /nfs/dbraw/zinc/68/07/64/1384680764.db2.gz YRFUHWSIDTVBTR-ABHNRTSZSA-N 2 2 336.520 3.351 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978714 1384702881 /nfs/dbraw/zinc/70/28/81/1384702881.db2.gz LCAKDCGYNJFSGU-VQTJNVASSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@H](CO)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001171978714 1384702884 /nfs/dbraw/zinc/70/28/84/1384702884.db2.gz LCAKDCGYNJFSGU-VQTJNVASSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC[N@@H+]1Cc1ccccc1 ZINC001171985889 1384704474 /nfs/dbraw/zinc/70/44/74/1384704474.db2.gz DADLMMJAQIXZQF-CEXWTWQISA-N 2 2 326.484 3.341 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)CC[N@H+]1Cc1ccccc1 ZINC001171985889 1384704477 /nfs/dbraw/zinc/70/44/77/1384704477.db2.gz DADLMMJAQIXZQF-CEXWTWQISA-N 2 2 326.484 3.341 20 0 EGADLP CC1(C)C[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH+]1Cc1ccccc1 ZINC001171985889 1384704480 /nfs/dbraw/zinc/70/44/80/1384704480.db2.gz DADLMMJAQIXZQF-CEXWTWQISA-N 2 2 326.484 3.341 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC[NH+]1Cc1ccccc1 ZINC001171985889 1384704483 /nfs/dbraw/zinc/70/44/83/1384704483.db2.gz DADLMMJAQIXZQF-CEXWTWQISA-N 2 2 326.484 3.341 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076290 1384719556 /nfs/dbraw/zinc/71/95/56/1384719556.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 2 339.527 3.351 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076290 1384719560 /nfs/dbraw/zinc/71/95/60/1384719560.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 2 339.527 3.351 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076290 1384719562 /nfs/dbraw/zinc/71/95/62/1384719562.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 2 339.527 3.351 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076290 1384719566 /nfs/dbraw/zinc/71/95/66/1384719566.db2.gz XPDJJJFGUDRMAL-YUBLJMCLSA-N 2 2 339.527 3.351 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)co2)c1 ZINC001172108895 1384728229 /nfs/dbraw/zinc/72/82/29/1384728229.db2.gz FKKANVKNECEXIW-VBUUOAMHSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)co2)c1 ZINC001172108895 1384728232 /nfs/dbraw/zinc/72/82/32/1384728232.db2.gz FKKANVKNECEXIW-VBUUOAMHSA-N 2 2 341.455 3.455 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120988 1384735201 /nfs/dbraw/zinc/73/52/01/1384735201.db2.gz BADJPGDPNADHQT-MUJYYYPQSA-N 2 2 348.512 3.298 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120988 1384735202 /nfs/dbraw/zinc/73/52/02/1384735202.db2.gz BADJPGDPNADHQT-MUJYYYPQSA-N 2 2 348.512 3.298 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172120988 1384735204 /nfs/dbraw/zinc/73/52/04/1384735204.db2.gz BADJPGDPNADHQT-MUJYYYPQSA-N 2 2 348.512 3.298 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172120988 1384735206 /nfs/dbraw/zinc/73/52/06/1384735206.db2.gz BADJPGDPNADHQT-MUJYYYPQSA-N 2 2 348.512 3.298 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172226729 1384752339 /nfs/dbraw/zinc/75/23/39/1384752339.db2.gz HTJZSKVWRKXCCP-YQQQUEKLSA-N 2 2 332.463 3.432 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172226729 1384752341 /nfs/dbraw/zinc/75/23/41/1384752341.db2.gz HTJZSKVWRKXCCP-YQQQUEKLSA-N 2 2 332.463 3.432 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172327217 1384770241 /nfs/dbraw/zinc/77/02/41/1384770241.db2.gz AUCLLBKVPXHKIY-HCXYKTFWSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172327217 1384770242 /nfs/dbraw/zinc/77/02/42/1384770242.db2.gz AUCLLBKVPXHKIY-HCXYKTFWSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172327217 1384770244 /nfs/dbraw/zinc/77/02/44/1384770244.db2.gz AUCLLBKVPXHKIY-HCXYKTFWSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172327217 1384770245 /nfs/dbraw/zinc/77/02/45/1384770245.db2.gz AUCLLBKVPXHKIY-HCXYKTFWSA-N 2 2 331.504 3.039 20 0 EGADLP Clc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001172726559 1384839893 /nfs/dbraw/zinc/83/98/93/1384839893.db2.gz XWIGGZGPTFFQBX-SFHVURJKSA-N 2 2 327.859 3.461 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172768957 1384847339 /nfs/dbraw/zinc/84/73/39/1384847339.db2.gz ZWOKLLVTAFIJCH-DLBZAZTESA-N 2 2 327.428 3.084 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001317086540 1384848860 /nfs/dbraw/zinc/84/88/60/1384848860.db2.gz QYUNQZXYVYAKJP-BHIYHBOVSA-N 2 2 346.519 3.432 20 0 EGADLP COC(=O)[C@H]1CCC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001172779433 1384850509 /nfs/dbraw/zinc/85/05/09/1384850509.db2.gz FUIHBSAOTKMKTH-IRXDYDNUSA-N 2 2 327.428 3.303 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804241 1384855741 /nfs/dbraw/zinc/85/57/41/1384855741.db2.gz TWXDFGMSXDXVSC-SJORKVTESA-N 2 2 345.487 3.070 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172949261 1384886972 /nfs/dbraw/zinc/88/69/72/1384886972.db2.gz IVHKNXYQTRGXLW-DLBZAZTESA-N 2 2 341.540 3.342 20 0 EGADLP CC[NH+](CC)C1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001173103314 1384915434 /nfs/dbraw/zinc/91/54/34/1384915434.db2.gz HXUHNIATVDTIKW-UHFFFAOYSA-N 3 2 330.520 3.293 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479719 1385306750 /nfs/dbraw/zinc/30/67/50/1385306750.db2.gz SNTZSFSGYWNGQV-SJORKVTESA-N 2 2 342.487 3.286 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175643603 1385361228 /nfs/dbraw/zinc/36/12/28/1385361228.db2.gz DGQOUTFLOVQZDD-SJORKVTESA-N 2 2 336.524 3.433 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175643603 1385361234 /nfs/dbraw/zinc/36/12/34/1385361234.db2.gz DGQOUTFLOVQZDD-SJORKVTESA-N 2 2 336.524 3.433 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001317680540 1385389760 /nfs/dbraw/zinc/38/97/60/1385389760.db2.gz DWQVLEDTOCAHBB-HZPDHXFCSA-N 2 2 348.535 3.160 20 0 EGADLP COc1cc[nH+]cc1Nc1c(CC[NH+]2CCCC2)cccc1OC ZINC001176120801 1385490319 /nfs/dbraw/zinc/49/03/19/1385490319.db2.gz MNIVKEQOZSYBDX-UHFFFAOYSA-N 2 2 327.428 3.481 20 0 EGADLP c1c[nH+]c(N2CCOCC2)c(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001176194416 1385509142 /nfs/dbraw/zinc/50/91/42/1385509142.db2.gz FNICRGUYFXUGGR-UHFFFAOYSA-N 2 2 338.455 3.258 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176829993 1385716584 /nfs/dbraw/zinc/71/65/84/1385716584.db2.gz XHOWNJQXVMMALC-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001318543371 1385747039 /nfs/dbraw/zinc/74/70/39/1385747039.db2.gz WTDXEVDQJPTYNV-INIZCTEOSA-N 2 2 340.402 3.000 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177299994 1385902986 /nfs/dbraw/zinc/90/29/86/1385902986.db2.gz CRXOVQGUZMBLJD-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CCC(CC)C[NH2+]C[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001319186649 1385998148 /nfs/dbraw/zinc/99/81/48/1385998148.db2.gz VWPFVQNTMYNLPS-AWEZNQCLSA-N 2 2 330.476 3.034 20 0 EGADLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3cccc(F)c3F)c2)CC1 ZINC001177638407 1386013314 /nfs/dbraw/zinc/01/33/14/1386013314.db2.gz YQKWUEXMBVTCRY-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178345747 1386193603 /nfs/dbraw/zinc/19/36/03/1386193603.db2.gz KIBHSVUIYNBKHE-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP Cc1ccccc1C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346376 1386193753 /nfs/dbraw/zinc/19/37/53/1386193753.db2.gz QROGZVNTNJFYDC-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001319607027 1386206326 /nfs/dbraw/zinc/20/63/26/1386206326.db2.gz JMVXXQNCUZMTJN-UHFFFAOYSA-N 2 2 339.483 3.415 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001319607027 1386206328 /nfs/dbraw/zinc/20/63/28/1386206328.db2.gz JMVXXQNCUZMTJN-UHFFFAOYSA-N 2 2 339.483 3.415 20 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OMXDBOOHDGBWMD-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001700487171 1414134746 /nfs/dbraw/zinc/13/47/46/1414134746.db2.gz OMXDBOOHDGBWMD-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001732592691 1428818814 /nfs/dbraw/zinc/81/88/14/1428818814.db2.gz LIMVOLMZVXTYDI-ROUUACIJSA-N 2 2 342.487 3.294 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001732592691 1428818818 /nfs/dbraw/zinc/81/88/18/1428818818.db2.gz LIMVOLMZVXTYDI-ROUUACIJSA-N 2 2 342.487 3.294 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001714192784 1418998697 /nfs/dbraw/zinc/99/86/97/1418998697.db2.gz FYOPUPIUWFIGGP-UHFFFAOYSA-N 2 2 346.519 3.261 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715337700 1420041384 /nfs/dbraw/zinc/04/13/84/1420041384.db2.gz CRPYMXIEWJZONQ-HUUCEWRRSA-N 2 2 330.476 3.295 20 0 EGADLP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001715896055 1420386945 /nfs/dbraw/zinc/38/69/45/1420386945.db2.gz NJRFKMZUOAIARB-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP CN(CC[N@@H+](C)CCCC1CCCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001715896055 1420386949 /nfs/dbraw/zinc/38/69/49/1420386949.db2.gz NJRFKMZUOAIARB-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716400516 1420634630 /nfs/dbraw/zinc/63/46/30/1420634630.db2.gz DSORHEVMYSRTKV-OAHLLOKOSA-N 2 2 336.439 3.088 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717471811 1421404882 /nfs/dbraw/zinc/40/48/82/1421404882.db2.gz FKJPEDGQVVDIDW-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717471811 1421404884 /nfs/dbraw/zinc/40/48/84/1421404884.db2.gz FKJPEDGQVVDIDW-AWEZNQCLSA-N 2 2 330.476 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@@H]([NH2+]CC3CC3)C(C)C)ccn12 ZINC001717512607 1421449264 /nfs/dbraw/zinc/44/92/64/1421449264.db2.gz AZSPISVPENOCFR-GOSISDBHSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461232 1429686032 /nfs/dbraw/zinc/68/60/32/1429686032.db2.gz KPQFCFVEEMHUJB-UYAOXDASSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461232 1429686035 /nfs/dbraw/zinc/68/60/35/1429686035.db2.gz KPQFCFVEEMHUJB-UYAOXDASSA-N 2 2 348.535 3.174 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001724835593 1425182666 /nfs/dbraw/zinc/18/26/66/1425182666.db2.gz JPWJXXMTKXCGEI-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001724835593 1425182668 /nfs/dbraw/zinc/18/26/68/1425182668.db2.gz JPWJXXMTKXCGEI-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC001725512551 1426201045 /nfs/dbraw/zinc/20/10/45/1426201045.db2.gz CCMRGXMLQACMKQ-CHWSQXEVSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001731779147 1427900952 /nfs/dbraw/zinc/90/09/52/1427900952.db2.gz FAVMMSYCRZEQMA-KRWDZBQOSA-N 2 2 325.456 3.430 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001731779147 1427900955 /nfs/dbraw/zinc/90/09/55/1427900955.db2.gz FAVMMSYCRZEQMA-KRWDZBQOSA-N 2 2 325.456 3.430 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001731796674 1427951495 /nfs/dbraw/zinc/95/14/95/1427951495.db2.gz OAJJTSOTPYQEDG-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001731796674 1427951498 /nfs/dbraw/zinc/95/14/98/1427951498.db2.gz OAJJTSOTPYQEDG-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001733710465 1429926280 /nfs/dbraw/zinc/92/62/80/1429926280.db2.gz JUJKTCBSOHGNLM-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001733710465 1429926281 /nfs/dbraw/zinc/92/62/81/1429926281.db2.gz JUJKTCBSOHGNLM-BRWVUGGUSA-N 2 2 346.519 3.310 20 0 EGADLP O=C(NCC1([NH2+]CC2CCCCC2)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001733719111 1429939658 /nfs/dbraw/zinc/93/96/58/1429939658.db2.gz SJDGOZFCNXSQGR-UHFFFAOYSA-N 2 2 340.471 3.385 20 0 EGADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734061283 1437855413 /nfs/dbraw/zinc/85/54/13/1437855413.db2.gz ZBUXFHFKFIFMCE-GTPINHCMSA-N 2 2 348.535 3.241 20 0 EGADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001734061283 1437855415 /nfs/dbraw/zinc/85/54/15/1437855415.db2.gz ZBUXFHFKFIFMCE-GTPINHCMSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001752143378 1440144936 /nfs/dbraw/zinc/14/49/36/1440144936.db2.gz MKZRWHUGCJBFBA-MSOLQXFVSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001752156434 1440147217 /nfs/dbraw/zinc/14/72/17/1440147217.db2.gz JXUVMDDWSQEWAH-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001752803166 1440215336 /nfs/dbraw/zinc/21/53/36/1440215336.db2.gz SBHFQRNFRSIENM-KRWDZBQOSA-N 2 2 342.487 3.212 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001752807338 1440215983 /nfs/dbraw/zinc/21/59/83/1440215983.db2.gz FKZWQUFJMHUHPX-IRXDYDNUSA-N 2 2 334.508 3.099 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+][C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001752889475 1440240544 /nfs/dbraw/zinc/24/05/44/1440240544.db2.gz SEDQACMOIHTRIT-HNAYVOBHSA-N 2 2 337.467 3.402 20 0 EGADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C1CC1 ZINC001752906527 1440244366 /nfs/dbraw/zinc/24/43/66/1440244366.db2.gz LSYGPYARJIGPOB-HOTGVXAUSA-N 2 2 340.471 3.006 20 0 EGADLP CC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CCC(C)(C)C ZINC001753083072 1440294905 /nfs/dbraw/zinc/29/49/05/1440294905.db2.gz UGPZLAKUBKYDSL-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP CC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CCC(C)(C)C ZINC001753083072 1440294906 /nfs/dbraw/zinc/29/49/06/1440294906.db2.gz UGPZLAKUBKYDSL-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001753280896 1440347311 /nfs/dbraw/zinc/34/73/11/1440347311.db2.gz OTKYILHKISHPMD-MOEXGYKKSA-N 2 2 346.519 3.224 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330852 1440369297 /nfs/dbraw/zinc/36/92/97/1440369297.db2.gz NMPIKJDCYQNEPQ-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330852 1440369298 /nfs/dbraw/zinc/36/92/98/1440369298.db2.gz NMPIKJDCYQNEPQ-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001753493636 1440420579 /nfs/dbraw/zinc/42/05/79/1440420579.db2.gz OCJOVHFIVNAJCQ-GXTWGEPZSA-N 2 2 348.878 3.160 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001753618277 1440450109 /nfs/dbraw/zinc/45/01/09/1440450109.db2.gz IHZDTUUIDTVLCI-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001753618277 1440450110 /nfs/dbraw/zinc/45/01/10/1440450110.db2.gz IHZDTUUIDTVLCI-UONOGXRCSA-N 2 2 348.878 3.099 20 0 EGADLP C[N@H+](CCC1CCCC1)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753821862 1440496442 /nfs/dbraw/zinc/49/64/42/1440496442.db2.gz VFUQMIWLDPBIDM-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCC1)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753821862 1440496443 /nfs/dbraw/zinc/49/64/43/1440496443.db2.gz VFUQMIWLDPBIDM-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001754234017 1440554456 /nfs/dbraw/zinc/55/44/56/1440554456.db2.gz NKDLCMJZIXPDFY-WBVHZDCISA-N 2 2 336.439 3.194 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001754345283 1440589677 /nfs/dbraw/zinc/58/96/77/1440589677.db2.gz IYVVQPVZRBSPOO-MOPGFXCFSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673509 1440659008 /nfs/dbraw/zinc/65/90/08/1440659008.db2.gz BLBCSVMWUBHOGC-QUCCMNQESA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754673509 1440659009 /nfs/dbraw/zinc/65/90/09/1440659009.db2.gz BLBCSVMWUBHOGC-QUCCMNQESA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673509 1440659010 /nfs/dbraw/zinc/65/90/10/1440659010.db2.gz BLBCSVMWUBHOGC-QUCCMNQESA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754673509 1440659011 /nfs/dbraw/zinc/65/90/11/1440659011.db2.gz BLBCSVMWUBHOGC-QUCCMNQESA-N 2 2 340.471 3.074 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001754701286 1440668002 /nfs/dbraw/zinc/66/80/02/1440668002.db2.gz XCIYSDFPUBCZTJ-DPZZJQGRSA-N 2 2 340.471 3.132 20 0 EGADLP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754976204 1440720166 /nfs/dbraw/zinc/72/01/66/1440720166.db2.gz UMRSPHNUBNJCRU-JTDRTSHGSA-N 2 2 332.492 3.161 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001755274424 1440798563 /nfs/dbraw/zinc/79/85/63/1440798563.db2.gz CDMGKUKUTVQXAK-BHUNQDJPSA-N 2 2 346.519 3.309 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001755274424 1440798564 /nfs/dbraw/zinc/79/85/64/1440798564.db2.gz CDMGKUKUTVQXAK-BHUNQDJPSA-N 2 2 346.519 3.309 20 0 EGADLP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755317482 1440816540 /nfs/dbraw/zinc/81/65/40/1440816540.db2.gz BHMROXUWZRITRT-QZTJIDSGSA-N 2 2 342.487 3.088 20 0 EGADLP Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755317482 1440816541 /nfs/dbraw/zinc/81/65/41/1440816541.db2.gz BHMROXUWZRITRT-QZTJIDSGSA-N 2 2 342.487 3.088 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363491 1440833129 /nfs/dbraw/zinc/83/31/29/1440833129.db2.gz JPKSNUMARVKDDB-IEBWSBKVSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755363491 1440833130 /nfs/dbraw/zinc/83/31/30/1440833130.db2.gz JPKSNUMARVKDDB-IEBWSBKVSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363491 1440833131 /nfs/dbraw/zinc/83/31/31/1440833131.db2.gz JPKSNUMARVKDDB-IEBWSBKVSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755363491 1440833132 /nfs/dbraw/zinc/83/31/32/1440833132.db2.gz JPKSNUMARVKDDB-IEBWSBKVSA-N 2 2 348.535 3.385 20 0 EGADLP C[N@H+](CC1CCCCC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001755536669 1440869911 /nfs/dbraw/zinc/86/99/11/1440869911.db2.gz COERRQCWWDNMBV-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001755536669 1440869912 /nfs/dbraw/zinc/86/99/12/1440869912.db2.gz COERRQCWWDNMBV-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755562060 1440874720 /nfs/dbraw/zinc/87/47/20/1440874720.db2.gz GJXXTVUOKXPFRQ-KBXCAEBGSA-N 2 2 342.487 3.129 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001755756446 1440914030 /nfs/dbraw/zinc/91/40/30/1440914030.db2.gz DEBYPAQMHCEATM-VUROMXLHSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001755756446 1440914031 /nfs/dbraw/zinc/91/40/31/1440914031.db2.gz DEBYPAQMHCEATM-VUROMXLHSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001755756430 1440914079 /nfs/dbraw/zinc/91/40/79/1440914079.db2.gz CWTXHGRPGOLRRC-INMHGKMJSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001755756430 1440914080 /nfs/dbraw/zinc/91/40/80/1440914080.db2.gz CWTXHGRPGOLRRC-INMHGKMJSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)c(C)[nH+]1 ZINC001755828978 1440928087 /nfs/dbraw/zinc/92/80/87/1440928087.db2.gz VAPIEIZVOJVLBJ-XJKSGUPXSA-N 2 2 337.483 3.489 20 0 EGADLP CC[NH2+]C1(CNC(=O)C[C@H](C)CC)CC[NH+](Cc2ccccc2)CC1 ZINC001755851314 1440935094 /nfs/dbraw/zinc/93/50/94/1440935094.db2.gz HSIMYAXZWOPPMI-GOSISDBHSA-N 2 2 345.531 3.183 20 0 EGADLP CC1(C)OCc2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)ccc2O1 ZINC000368487725 168362836 /nfs/dbraw/zinc/36/28/36/168362836.db2.gz LCLPNEMOCGLBRN-UHFFFAOYSA-N 2 2 327.428 3.154 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000368916494 168379163 /nfs/dbraw/zinc/37/91/63/168379163.db2.gz ZMUJWIPEOWYSDS-BEVDRBHNSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000368916494 168379165 /nfs/dbraw/zinc/37/91/65/168379165.db2.gz ZMUJWIPEOWYSDS-BEVDRBHNSA-N 2 2 328.431 3.284 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000347335436 282207538 /nfs/dbraw/zinc/20/75/38/282207538.db2.gz ALZAMYXETNLMAC-LBPRGKRZSA-N 2 2 334.261 3.401 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000347335436 282207539 /nfs/dbraw/zinc/20/75/39/282207539.db2.gz ALZAMYXETNLMAC-LBPRGKRZSA-N 2 2 334.261 3.401 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070148507 202309766 /nfs/dbraw/zinc/30/97/66/202309766.db2.gz MBKCFODEINEATM-CQSZACIVSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070148507 202309768 /nfs/dbraw/zinc/30/97/68/202309768.db2.gz MBKCFODEINEATM-CQSZACIVSA-N 2 2 327.266 3.161 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000287575865 201334324 /nfs/dbraw/zinc/33/43/24/201334324.db2.gz HASKZDNYFRGIIV-BBWFWOEESA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000287575865 201334328 /nfs/dbraw/zinc/33/43/28/201334328.db2.gz HASKZDNYFRGIIV-BBWFWOEESA-N 2 2 342.405 3.351 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837588 239330077 /nfs/dbraw/zinc/33/00/77/239330077.db2.gz TXLCLIPCDBQXNN-RXVVDRJESA-N 2 2 339.483 3.332 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837588 239330084 /nfs/dbraw/zinc/33/00/84/239330084.db2.gz TXLCLIPCDBQXNN-RXVVDRJESA-N 2 2 339.483 3.332 20 0 EGADLP c1c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc2ccccn12 ZINC000236737124 242340272 /nfs/dbraw/zinc/34/02/72/242340272.db2.gz JLOSOIVPBZMMMM-UHFFFAOYSA-N 2 2 334.467 3.131 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+](C)C ZINC000072713456 203242623 /nfs/dbraw/zinc/24/26/23/203242623.db2.gz SGQCIYDFPDTJQJ-UHFFFAOYSA-N 2 2 334.895 3.243 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857850 203248828 /nfs/dbraw/zinc/24/88/28/203248828.db2.gz FRKFBBDIBNSMBH-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857850 203248830 /nfs/dbraw/zinc/24/88/30/203248830.db2.gz FRKFBBDIBNSMBH-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857850 203248831 /nfs/dbraw/zinc/24/88/31/203248831.db2.gz FRKFBBDIBNSMBH-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857850 203248833 /nfs/dbraw/zinc/24/88/33/203248833.db2.gz FRKFBBDIBNSMBH-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP CCn1nc(C)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1C ZINC000076901201 203366402 /nfs/dbraw/zinc/36/64/02/203366402.db2.gz ZDZDHDNCVPYGEB-UHFFFAOYSA-N 2 2 325.460 3.129 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000077281137 203376571 /nfs/dbraw/zinc/37/65/71/203376571.db2.gz RLEHQBNKEMPWMV-UHFFFAOYSA-N 2 2 348.878 3.395 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)N1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000262536639 245023058 /nfs/dbraw/zinc/02/30/58/245023058.db2.gz KCSVULNGHOXOHX-FQEVSTJZSA-N 2 2 342.487 3.280 20 0 EGADLP C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000262579295 245043681 /nfs/dbraw/zinc/04/36/81/245043681.db2.gz MZMSRGGHUFCZDZ-CYBMUJFWSA-N 2 2 345.830 3.209 20 0 EGADLP C[NH+](C)CCOc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000236976175 204208154 /nfs/dbraw/zinc/20/81/54/204208154.db2.gz PCHOJUBVVPHUSU-UHFFFAOYSA-N 2 2 340.471 3.103 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000109795998 204292850 /nfs/dbraw/zinc/29/28/50/204292850.db2.gz JQAYTKUOKVPFRD-MRXNPFEDSA-N 2 2 326.444 3.164 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000109788574 204292938 /nfs/dbraw/zinc/29/29/38/204292938.db2.gz PSKKNEUJWCZDAC-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000109788574 204292942 /nfs/dbraw/zinc/29/29/42/204292942.db2.gz PSKKNEUJWCZDAC-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1noc([C@H](C)[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC000108947705 204275276 /nfs/dbraw/zinc/27/52/76/204275276.db2.gz NCHIWUOCZDWOSI-AWEZNQCLSA-N 2 2 337.427 3.118 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000111243539 204344193 /nfs/dbraw/zinc/34/41/93/204344193.db2.gz QELWULXENTXANC-MRXNPFEDSA-N 2 2 326.444 3.164 20 0 EGADLP CSc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129861324 205214973 /nfs/dbraw/zinc/21/49/73/205214973.db2.gz IHCHCUSUTSJOQY-YOEHRIQHSA-N 2 2 344.484 3.127 20 0 EGADLP CSc1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129861324 205214978 /nfs/dbraw/zinc/21/49/78/205214978.db2.gz IHCHCUSUTSJOQY-YOEHRIQHSA-N 2 2 344.484 3.127 20 0 EGADLP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@H+](C)C1CC1 ZINC000130865033 205262364 /nfs/dbraw/zinc/26/23/64/205262364.db2.gz MWHAENNUZLJYPV-HNNXBMFYSA-N 2 2 335.923 3.377 20 0 EGADLP C[C@@H](CNC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+](C)C1CC1 ZINC000130865033 205262367 /nfs/dbraw/zinc/26/23/67/205262367.db2.gz MWHAENNUZLJYPV-HNNXBMFYSA-N 2 2 335.923 3.377 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000130932870 205265653 /nfs/dbraw/zinc/26/56/53/205265653.db2.gz QQSMKZLGGRNZAN-ZDUSSCGKSA-N 2 2 338.908 3.137 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000130932870 205265658 /nfs/dbraw/zinc/26/56/58/205265658.db2.gz QQSMKZLGGRNZAN-ZDUSSCGKSA-N 2 2 338.908 3.137 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2cc(-c3ccccc3)cs2)CC1 ZINC000155498447 206011955 /nfs/dbraw/zinc/01/19/55/206011955.db2.gz ZREPOHIEWLWPDS-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(-c3ccccc3)cs2)CC1 ZINC000155498447 206011961 /nfs/dbraw/zinc/01/19/61/206011961.db2.gz ZREPOHIEWLWPDS-UHFFFAOYSA-N 2 2 330.497 3.304 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157494433 206139550 /nfs/dbraw/zinc/13/95/50/206139550.db2.gz HQJIHZXONVHKAW-FXAWDEMLSA-N 2 2 342.487 3.097 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158923840 206216045 /nfs/dbraw/zinc/21/60/45/206216045.db2.gz KLBWETPKKCXPFV-IEBWSBKVSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158923840 206216051 /nfs/dbraw/zinc/21/60/51/206216051.db2.gz KLBWETPKKCXPFV-IEBWSBKVSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158923840 206216053 /nfs/dbraw/zinc/21/60/53/206216053.db2.gz KLBWETPKKCXPFV-IEBWSBKVSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158923840 206216059 /nfs/dbraw/zinc/21/60/59/206216059.db2.gz KLBWETPKKCXPFV-IEBWSBKVSA-N 2 2 329.488 3.165 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000159017013 206220506 /nfs/dbraw/zinc/22/05/06/206220506.db2.gz DHODXDNPMDABHS-CVEARBPZSA-N 2 2 342.462 3.384 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144545 206387257 /nfs/dbraw/zinc/38/72/57/206387257.db2.gz QAVGDYOZBSXUEW-WFXMLNOXSA-N 3 2 329.532 3.278 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144545 206387259 /nfs/dbraw/zinc/38/72/59/206387259.db2.gz QAVGDYOZBSXUEW-WFXMLNOXSA-N 3 2 329.532 3.278 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000266196867 248165632 /nfs/dbraw/zinc/16/56/32/248165632.db2.gz VLEXIGWKRFOTCD-LLVKDONJSA-N 2 2 344.286 3.394 20 0 EGADLP Fc1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377337866 169012566 /nfs/dbraw/zinc/01/25/66/169012566.db2.gz QPLPVFLMYHXQCV-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377337866 169012567 /nfs/dbraw/zinc/01/25/67/169012567.db2.gz QPLPVFLMYHXQCV-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377337866 169012568 /nfs/dbraw/zinc/01/25/68/169012568.db2.gz QPLPVFLMYHXQCV-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377337866 169012570 /nfs/dbraw/zinc/01/25/70/169012570.db2.gz QPLPVFLMYHXQCV-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166009 169079570 /nfs/dbraw/zinc/07/95/70/169079570.db2.gz NEHFTTUYXBUHBK-IHRRRGAJSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166009 169079573 /nfs/dbraw/zinc/07/95/73/169079573.db2.gz NEHFTTUYXBUHBK-IHRRRGAJSA-N 2 2 344.377 3.099 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174350323 207015271 /nfs/dbraw/zinc/01/52/71/207015271.db2.gz BERBASCDWGTUKK-QGZVFWFLSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473158 251090754 /nfs/dbraw/zinc/09/07/54/251090754.db2.gz YLKFAOAKQJKQHB-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473158 251090759 /nfs/dbraw/zinc/09/07/59/251090759.db2.gz YLKFAOAKQJKQHB-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP CN(c1ccccc1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177058800 207289906 /nfs/dbraw/zinc/28/99/06/207289906.db2.gz JBEWYMDGEJOADN-UHFFFAOYSA-N 2 2 347.466 3.368 20 0 EGADLP COc1ccc([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000177090481 207292961 /nfs/dbraw/zinc/29/29/61/207292961.db2.gz DDMOWESDQXYDNZ-SFHVURJKSA-N 2 2 334.423 3.265 20 0 EGADLP COc1ccc([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)cc1 ZINC000177090481 207292964 /nfs/dbraw/zinc/29/29/64/207292964.db2.gz DDMOWESDQXYDNZ-SFHVURJKSA-N 2 2 334.423 3.265 20 0 EGADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000177259984 207313447 /nfs/dbraw/zinc/31/34/47/207313447.db2.gz RYHJPKGVXHPHRA-HNNXBMFYSA-N 2 2 344.890 3.338 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602634 252059306 /nfs/dbraw/zinc/05/93/06/252059306.db2.gz XRKWOPSPEQODKU-GOSISDBHSA-N 2 2 345.487 3.068 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602634 252059310 /nfs/dbraw/zinc/05/93/10/252059310.db2.gz XRKWOPSPEQODKU-GOSISDBHSA-N 2 2 345.487 3.068 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602634 252059314 /nfs/dbraw/zinc/05/93/14/252059314.db2.gz XRKWOPSPEQODKU-GOSISDBHSA-N 2 2 345.487 3.068 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000268602634 252059315 /nfs/dbraw/zinc/05/93/15/252059315.db2.gz XRKWOPSPEQODKU-GOSISDBHSA-N 2 2 345.487 3.068 20 0 EGADLP c1ccc2c(c1)CCSC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268863383 252311559 /nfs/dbraw/zinc/31/15/59/252311559.db2.gz IIURJUYNWFDZCO-LJQANCHMSA-N 2 2 346.540 3.252 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000119677086 221375051 /nfs/dbraw/zinc/37/50/51/221375051.db2.gz DCQSKFKTWPOLES-UHFFFAOYSA-N 3 2 345.506 3.049 20 0 EGADLP c1ccc([C@H]2OCC[C@@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000328634884 258026374 /nfs/dbraw/zinc/02/63/74/258026374.db2.gz UKOASFNILUVNNS-WIYYLYMNSA-N 2 2 337.467 3.418 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]2CCO[C@H]21 ZINC000677806915 549334396 /nfs/dbraw/zinc/33/43/96/549334396.db2.gz UNLAMKQOCRBTPL-INDMIFKZSA-N 2 2 328.500 3.443 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H]2CCO[C@H]21 ZINC000677806915 549334397 /nfs/dbraw/zinc/33/43/97/549334397.db2.gz UNLAMKQOCRBTPL-INDMIFKZSA-N 2 2 328.500 3.443 20 0 EGADLP CSCC[C@@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000246615001 141020083 /nfs/dbraw/zinc/02/00/83/141020083.db2.gz FQBNUYSIHRMAPO-HZPDHXFCSA-N 2 2 335.517 3.087 20 0 EGADLP CSCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000246615001 141020087 /nfs/dbraw/zinc/02/00/87/141020087.db2.gz FQBNUYSIHRMAPO-HZPDHXFCSA-N 2 2 335.517 3.087 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1C ZINC000246834265 141037384 /nfs/dbraw/zinc/03/73/84/141037384.db2.gz ZNAIBUWKEUYDKS-HOTGVXAUSA-N 2 2 328.460 3.298 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)o2)cc1C ZINC000246834265 141037385 /nfs/dbraw/zinc/03/73/85/141037385.db2.gz ZNAIBUWKEUYDKS-HOTGVXAUSA-N 2 2 328.460 3.298 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000246943818 141045075 /nfs/dbraw/zinc/04/50/75/141045075.db2.gz UGFKCIIGVYJITB-FXAWDEMLSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000246943818 141045078 /nfs/dbraw/zinc/04/50/78/141045078.db2.gz UGFKCIIGVYJITB-FXAWDEMLSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000246943818 141045080 /nfs/dbraw/zinc/04/50/80/141045080.db2.gz UGFKCIIGVYJITB-FXAWDEMLSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000246943818 141045083 /nfs/dbraw/zinc/04/50/83/141045083.db2.gz UGFKCIIGVYJITB-FXAWDEMLSA-N 2 2 347.547 3.116 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338060235 141085543 /nfs/dbraw/zinc/08/55/43/141085543.db2.gz OITWGXJDGOESDF-HZSPNIEDSA-N 2 2 330.407 3.211 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338060235 141085546 /nfs/dbraw/zinc/08/55/46/141085546.db2.gz OITWGXJDGOESDF-HZSPNIEDSA-N 2 2 330.407 3.211 20 0 EGADLP CSc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000352949371 141275922 /nfs/dbraw/zinc/27/59/22/141275922.db2.gz XCGGGLNDYZWOHX-QZTJIDSGSA-N 2 2 347.572 3.399 20 0 EGADLP Cc1sccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000352982350 141282891 /nfs/dbraw/zinc/28/28/91/141282891.db2.gz GVXXFZCCYWEQGL-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1sccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000352982350 141282893 /nfs/dbraw/zinc/28/28/93/141282893.db2.gz GVXXFZCCYWEQGL-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1sccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000352982350 141282895 /nfs/dbraw/zinc/28/28/95/141282895.db2.gz GVXXFZCCYWEQGL-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1sccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000352982350 141282897 /nfs/dbraw/zinc/28/28/97/141282897.db2.gz GVXXFZCCYWEQGL-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000353343888 141291472 /nfs/dbraw/zinc/29/14/72/141291472.db2.gz YPBDOBRJNHGGSI-APWZRJJASA-N 2 2 347.503 3.185 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000354636341 141317940 /nfs/dbraw/zinc/31/79/40/141317940.db2.gz SGNYHBLJXSGWSD-LSDHHAIUSA-N 2 2 334.460 3.199 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000354636341 141317941 /nfs/dbraw/zinc/31/79/41/141317941.db2.gz SGNYHBLJXSGWSD-LSDHHAIUSA-N 2 2 334.460 3.199 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000357939536 141362058 /nfs/dbraw/zinc/36/20/58/141362058.db2.gz QEUOSKCFELQEKN-UHFFFAOYSA-N 2 2 334.423 3.456 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000357939536 141362059 /nfs/dbraw/zinc/36/20/59/141362059.db2.gz QEUOSKCFELQEKN-UHFFFAOYSA-N 2 2 334.423 3.456 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636390 141393801 /nfs/dbraw/zinc/39/38/01/141393801.db2.gz QFXZZTTZHVEXPZ-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636390 141393804 /nfs/dbraw/zinc/39/38/04/141393804.db2.gz QFXZZTTZHVEXPZ-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000178328349 144069054 /nfs/dbraw/zinc/06/90/54/144069054.db2.gz LFBUJVJOJNMCAU-HIFRSBDPSA-N 2 2 325.522 3.021 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000178328349 144069055 /nfs/dbraw/zinc/06/90/55/144069055.db2.gz LFBUJVJOJNMCAU-HIFRSBDPSA-N 2 2 325.522 3.021 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@@H+]1C ZINC000344621524 144200659 /nfs/dbraw/zinc/20/06/59/144200659.db2.gz GEEGDJYUDVKJGI-TZMCWYRMSA-N 2 2 345.468 3.111 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@H+]1C ZINC000344621524 144200660 /nfs/dbraw/zinc/20/06/60/144200660.db2.gz GEEGDJYUDVKJGI-TZMCWYRMSA-N 2 2 345.468 3.111 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908030 144240914 /nfs/dbraw/zinc/24/09/14/144240914.db2.gz YKMPMMPOEDGVGY-JXFKEZNVSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908030 144240915 /nfs/dbraw/zinc/24/09/15/144240915.db2.gz YKMPMMPOEDGVGY-JXFKEZNVSA-N 2 2 337.467 3.233 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351719697 144296427 /nfs/dbraw/zinc/29/64/27/144296427.db2.gz SAGPZSDWYAXIBL-UKRRQHHQSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351719697 144296428 /nfs/dbraw/zinc/29/64/28/144296428.db2.gz SAGPZSDWYAXIBL-UKRRQHHQSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351719697 144296429 /nfs/dbraw/zinc/29/64/29/144296429.db2.gz SAGPZSDWYAXIBL-UKRRQHHQSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351719697 144296430 /nfs/dbraw/zinc/29/64/30/144296430.db2.gz SAGPZSDWYAXIBL-UKRRQHHQSA-N 2 2 325.522 3.023 20 0 EGADLP COc1cccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)c(C)c[nH+]c12 ZINC000364287233 144396157 /nfs/dbraw/zinc/39/61/57/144396157.db2.gz ZZHKZYDFMZRAOE-MRXNPFEDSA-N 2 2 341.455 3.217 20 0 EGADLP COc1ccc([C@H](CNCc2[nH+]cc(C)n2C)[NH+]2CCCCC2)cc1 ZINC000341083565 155147832 /nfs/dbraw/zinc/14/78/32/155147832.db2.gz XCCDQMVJJZOSPF-IBGZPJMESA-N 2 2 342.487 3.054 20 0 EGADLP Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)sc1C ZINC000116396082 152058582 /nfs/dbraw/zinc/05/85/82/152058582.db2.gz IMWQVFBXODIYMJ-OCCSQVGLSA-N 2 2 340.537 3.043 20 0 EGADLP CCCC[C@H](CC)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000117246695 152091571 /nfs/dbraw/zinc/09/15/71/152091571.db2.gz BZZNZSKRMLUAER-KRWDZBQOSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccccc1 ZINC000120884398 152308501 /nfs/dbraw/zinc/30/85/01/152308501.db2.gz IGYIEJPWZBKRPI-IRXDYDNUSA-N 2 2 348.450 3.228 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccccc1 ZINC000120884706 152308532 /nfs/dbraw/zinc/30/85/32/152308532.db2.gz IGYIEJPWZBKRPI-DLBZAZTESA-N 2 2 348.450 3.228 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)c[nH+]1 ZINC000121181669 152331735 /nfs/dbraw/zinc/33/17/35/152331735.db2.gz BSYVCWHVROXOHL-ZCNNSNEGSA-N 2 2 337.467 3.369 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCSCC1 ZINC000187024897 153006597 /nfs/dbraw/zinc/00/65/97/153006597.db2.gz NQOUNVHAISHKIX-MRXNPFEDSA-N 2 2 334.529 3.140 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414851332 309105468 /nfs/dbraw/zinc/10/54/68/309105468.db2.gz JASBLFJHPHFTRV-DOTOQJQBSA-N 3 2 335.923 3.282 20 0 EGADLP Nc1[nH+]cnc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000310478760 154141020 /nfs/dbraw/zinc/14/10/20/154141020.db2.gz CLEXWECLMRJLTF-HNNXBMFYSA-N 2 2 345.878 3.426 20 0 EGADLP Nc1[nH+]cnc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000310478760 154141023 /nfs/dbraw/zinc/14/10/23/154141023.db2.gz CLEXWECLMRJLTF-HNNXBMFYSA-N 2 2 345.878 3.426 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C[C@@H](C)O1 ZINC000337340104 154294549 /nfs/dbraw/zinc/29/45/49/154294549.db2.gz PCLGLHCWTNFEHE-FTEYMNFISA-N 2 2 331.504 3.197 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000337509564 154389123 /nfs/dbraw/zinc/38/91/23/154389123.db2.gz HYKIIXRMOQQFPS-QGZVFWFLSA-N 3 2 342.487 3.154 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000337518037 154392384 /nfs/dbraw/zinc/39/23/84/154392384.db2.gz NKAMQPSDUDKCAR-UHFFFAOYSA-N 2 2 330.476 3.161 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000347012248 156247139 /nfs/dbraw/zinc/24/71/39/156247139.db2.gz VTZGOJKJCCGGBM-LLVKDONJSA-N 2 2 349.219 3.092 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000347012248 156247143 /nfs/dbraw/zinc/24/71/43/156247143.db2.gz VTZGOJKJCCGGBM-LLVKDONJSA-N 2 2 349.219 3.092 20 0 EGADLP Cc1[nH]c(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c[nH+]1 ZINC000348953912 156299527 /nfs/dbraw/zinc/29/95/27/156299527.db2.gz CFVSACMXADLPJK-RHSMWYFYSA-N 2 2 328.460 3.213 20 0 EGADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)Cc1cccc2[nH+]ccn21 ZINC000349033784 156325871 /nfs/dbraw/zinc/32/58/71/156325871.db2.gz BBZOWNMUJRGDIM-UHFFFAOYSA-N 2 2 344.409 3.176 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)n1-c1ccccc1 ZINC000368776027 157287493 /nfs/dbraw/zinc/28/74/93/157287493.db2.gz XAKYLQKILIMWNF-VQTJNVASSA-N 2 2 325.456 3.476 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(C(C)(C)C)no1 ZINC000372817292 157391187 /nfs/dbraw/zinc/39/11/87/157391187.db2.gz YQQMXQYTIGVUMC-CYBMUJFWSA-N 2 2 329.448 3.082 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000111243802 162148939 /nfs/dbraw/zinc/14/89/39/162148939.db2.gz LTHUQAICEOYMOU-LJQANCHMSA-N 2 2 340.471 3.178 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305110384 163074458 /nfs/dbraw/zinc/07/44/58/163074458.db2.gz FPEDBNLGQDNKAG-CZUORRHYSA-N 2 2 333.501 3.000 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108362 163074791 /nfs/dbraw/zinc/07/47/91/163074791.db2.gz DTFVYMNWPIVNDR-ROUUACIJSA-N 2 2 330.497 3.208 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108362 163074795 /nfs/dbraw/zinc/07/47/95/163074795.db2.gz DTFVYMNWPIVNDR-ROUUACIJSA-N 2 2 330.497 3.208 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3csc(C4CC4)n3)CC2)CC1 ZINC000336881994 163086657 /nfs/dbraw/zinc/08/66/57/163086657.db2.gz VFHVTXKQNXXZJC-UHFFFAOYSA-N 2 2 348.560 3.011 20 0 EGADLP OC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1F ZINC000337233823 163172271 /nfs/dbraw/zinc/17/22/71/163172271.db2.gz WPGJLADNTISCSO-KRWDZBQOSA-N 2 2 345.805 3.488 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211400 /nfs/dbraw/zinc/21/14/00/163211400.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211402 /nfs/dbraw/zinc/21/14/02/163211402.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H]1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211404 /nfs/dbraw/zinc/21/14/04/163211404.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H]1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327936 163211406 /nfs/dbraw/zinc/21/14/06/163211406.db2.gz PJEOKHDDNKWWDR-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000354351903 166007714 /nfs/dbraw/zinc/00/77/14/166007714.db2.gz NJXROCNVWFWVCL-UHFFFAOYSA-N 2 2 333.476 3.375 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c[nH+]1 ZINC000354475598 166014555 /nfs/dbraw/zinc/01/45/55/166014555.db2.gz KVIZJHBTWQCPKY-GOSISDBHSA-N 2 2 343.858 3.371 20 0 EGADLP C[N@@H+]1CCN(c2cc[nH+]cc2Br)C[C@H]1Cc1ccccc1 ZINC000343654706 164004605 /nfs/dbraw/zinc/00/46/05/164004605.db2.gz UMVTYLPBDHTPND-OAHLLOKOSA-N 2 2 346.272 3.207 20 0 EGADLP C[N@H+]1CCN(c2cc[nH+]cc2Br)C[C@H]1Cc1ccccc1 ZINC000343654706 164004606 /nfs/dbraw/zinc/00/46/06/164004606.db2.gz UMVTYLPBDHTPND-OAHLLOKOSA-N 2 2 346.272 3.207 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816255 164042153 /nfs/dbraw/zinc/04/21/53/164042153.db2.gz MQQKUYXDAPELCR-HIFRSBDPSA-N 2 2 338.879 3.416 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816255 164042155 /nfs/dbraw/zinc/04/21/55/164042155.db2.gz MQQKUYXDAPELCR-HIFRSBDPSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816255 164042156 /nfs/dbraw/zinc/04/21/56/164042156.db2.gz MQQKUYXDAPELCR-HIFRSBDPSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@H]1C ZINC000343816255 164042159 /nfs/dbraw/zinc/04/21/59/164042159.db2.gz MQQKUYXDAPELCR-HIFRSBDPSA-N 2 2 338.879 3.416 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c(Br)c1 ZINC000344022614 164084400 /nfs/dbraw/zinc/08/44/00/164084400.db2.gz NZSJLZVIFMDDBE-RYUDHWBXSA-N 2 2 329.282 3.449 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000344088325 164100658 /nfs/dbraw/zinc/10/06/58/164100658.db2.gz QFGOCGCEYUEZRD-QGZVFWFLSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000344088325 164100660 /nfs/dbraw/zinc/10/06/60/164100660.db2.gz QFGOCGCEYUEZRD-QGZVFWFLSA-N 2 2 345.531 3.134 20 0 EGADLP O[C@]1(C[NH2+]Cc2coc3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000344541643 164188875 /nfs/dbraw/zinc/18/88/75/164188875.db2.gz VXVQQCZXERYVPW-NRFANRHFSA-N 2 2 336.435 3.159 20 0 EGADLP O[C@]1(C[NH2+]Cc2coc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541643 164188876 /nfs/dbraw/zinc/18/88/76/164188876.db2.gz VXVQQCZXERYVPW-NRFANRHFSA-N 2 2 336.435 3.159 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303676 164366012 /nfs/dbraw/zinc/36/60/12/164366012.db2.gz BLHWSATWGGFFEO-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303676 164366013 /nfs/dbraw/zinc/36/60/13/164366013.db2.gz BLHWSATWGGFFEO-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303676 164366014 /nfs/dbraw/zinc/36/60/14/164366014.db2.gz BLHWSATWGGFFEO-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000346303676 164366015 /nfs/dbraw/zinc/36/60/15/164366015.db2.gz BLHWSATWGGFFEO-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000352403978 165383535 /nfs/dbraw/zinc/38/35/35/165383535.db2.gz ZXWCQDFIBCDRLO-KRWDZBQOSA-N 2 2 342.487 3.463 20 0 EGADLP Cc1cccnc1C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000353559970 165805325 /nfs/dbraw/zinc/80/53/25/165805325.db2.gz MOXXVXFXRIIOID-UHFFFAOYSA-N 2 2 338.499 3.317 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2c(cc1SC)OCCO2 ZINC000355104236 166108376 /nfs/dbraw/zinc/10/83/76/166108376.db2.gz FJBINKLHFMLERJ-CVEARBPZSA-N 2 2 348.512 3.238 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2c(cc1SC)OCCO2 ZINC000355104236 166108378 /nfs/dbraw/zinc/10/83/78/166108378.db2.gz FJBINKLHFMLERJ-CVEARBPZSA-N 2 2 348.512 3.238 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1SC)OCCO2 ZINC000355104236 166108380 /nfs/dbraw/zinc/10/83/80/166108380.db2.gz FJBINKLHFMLERJ-CVEARBPZSA-N 2 2 348.512 3.238 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1SC)OCCO2 ZINC000355104236 166108381 /nfs/dbraw/zinc/10/83/81/166108381.db2.gz FJBINKLHFMLERJ-CVEARBPZSA-N 2 2 348.512 3.238 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000359331483 167127893 /nfs/dbraw/zinc/12/78/93/167127893.db2.gz PIEORWQPOGLUME-QGZVFWFLSA-N 2 2 340.471 3.175 20 0 EGADLP CC(C)(C[NH2+]Cc1cc(O)ccc1Br)C[NH+]1CCCC1 ZINC000360177927 167265410 /nfs/dbraw/zinc/26/54/10/167265410.db2.gz QBKHBDLXVITERQ-UHFFFAOYSA-N 2 2 341.293 3.366 20 0 EGADLP Cc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(-c2cnn(C)c2)c1 ZINC000366977253 168164787 /nfs/dbraw/zinc/16/47/87/168164787.db2.gz SHPNXMWTKDCIMP-UHFFFAOYSA-N 2 2 345.450 3.376 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013649 168168362 /nfs/dbraw/zinc/16/83/62/168168362.db2.gz AYACAYRWHSBGTI-WSTZPKSXSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013649 168168363 /nfs/dbraw/zinc/16/83/63/168168363.db2.gz AYACAYRWHSBGTI-WSTZPKSXSA-N 2 2 341.455 3.025 20 0 EGADLP C[N@H+](CCn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000367354387 168212781 /nfs/dbraw/zinc/21/27/81/168212781.db2.gz VJGYSVVLZSXKOD-QGZVFWFLSA-N 2 2 327.819 3.048 20 0 EGADLP C[N@@H+](CCn1cc[nH+]c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000367354387 168212783 /nfs/dbraw/zinc/21/27/83/168212783.db2.gz VJGYSVVLZSXKOD-QGZVFWFLSA-N 2 2 327.819 3.048 20 0 EGADLP c1coc([C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459785 168228009 /nfs/dbraw/zinc/22/80/09/168228009.db2.gz WCWCZROIBKVIHX-VQTJNVASSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459785 168228012 /nfs/dbraw/zinc/22/80/12/168228012.db2.gz WCWCZROIBKVIHX-VQTJNVASSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459785 168228013 /nfs/dbraw/zinc/22/80/13/168228013.db2.gz WCWCZROIBKVIHX-VQTJNVASSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459785 168228015 /nfs/dbraw/zinc/22/80/15/168228015.db2.gz WCWCZROIBKVIHX-VQTJNVASSA-N 2 2 340.467 3.360 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490802 168233669 /nfs/dbraw/zinc/23/36/69/168233669.db2.gz PNOPKVBXKOTKBO-XEZPLFJOSA-N 2 2 326.843 3.383 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1F ZINC000367490802 168233671 /nfs/dbraw/zinc/23/36/71/168233671.db2.gz PNOPKVBXKOTKBO-XEZPLFJOSA-N 2 2 326.843 3.383 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC(F)F ZINC000367703056 168260202 /nfs/dbraw/zinc/26/02/02/168260202.db2.gz MTEDTAUNUPVAHP-CYBMUJFWSA-N 2 2 337.370 3.020 20 0 EGADLP CCCCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915992 265215729 /nfs/dbraw/zinc/21/57/29/265215729.db2.gz GHMFECYRQYQQIQ-UYAOXDASSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176915992 265215741 /nfs/dbraw/zinc/21/57/41/265215741.db2.gz GHMFECYRQYQQIQ-UYAOXDASSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915992 265215743 /nfs/dbraw/zinc/21/57/43/265215743.db2.gz GHMFECYRQYQQIQ-UYAOXDASSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915992 265215746 /nfs/dbraw/zinc/21/57/46/265215746.db2.gz GHMFECYRQYQQIQ-UYAOXDASSA-N 2 2 345.531 3.278 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177927408 265287883 /nfs/dbraw/zinc/28/78/83/265287883.db2.gz NPCNSSNMAAMYAS-JSGCOSHPSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000177927408 265287889 /nfs/dbraw/zinc/28/78/89/265287889.db2.gz NPCNSSNMAAMYAS-JSGCOSHPSA-N 2 2 339.277 3.043 20 0 EGADLP Cc1cc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc(C)c1O ZINC000178881432 265346587 /nfs/dbraw/zinc/34/65/87/265346587.db2.gz IJWDUXPLAVCKLG-UHFFFAOYSA-N 2 2 346.394 3.145 20 0 EGADLP CC1(C)CC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC(C)(C)[NH2+]1 ZINC000180157308 265397364 /nfs/dbraw/zinc/39/73/64/265397364.db2.gz UVPASOZNPUOEFH-UHFFFAOYSA-N 3 2 335.458 3.302 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194042452 266085114 /nfs/dbraw/zinc/08/51/14/266085114.db2.gz YFGQRJMZOLQWEE-MTQWCTHYSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194042452 266085116 /nfs/dbraw/zinc/08/51/16/266085116.db2.gz YFGQRJMZOLQWEE-MTQWCTHYSA-N 2 2 326.484 3.198 20 0 EGADLP c1cc2[nH+]ccc(NCc3ccc(N4CCOCC4)[nH+]c3)c2s1 ZINC000266150706 266274345 /nfs/dbraw/zinc/27/43/45/266274345.db2.gz KGZSSOZFEJYMLS-UHFFFAOYSA-N 2 2 326.425 3.140 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1C ZINC000269650255 266333271 /nfs/dbraw/zinc/33/32/71/266333271.db2.gz IFEDLLUBSDKBGD-GOSISDBHSA-N 2 2 345.487 3.072 20 0 EGADLP c1cc2c(nc[nH+]c2N[C@H]2CC[C@H](Nc3[nH+]cnc4[nH]ccc43)CC2)[nH]1 ZINC000269977413 266394303 /nfs/dbraw/zinc/39/43/03/266394303.db2.gz ZGKYAKVCWUBZKQ-HAQNSBGRSA-N 2 2 348.414 3.064 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)cn1 ZINC000274747357 267280678 /nfs/dbraw/zinc/28/06/78/267280678.db2.gz GUNPEKVHWZLTJB-CZUORRHYSA-N 2 2 345.878 3.443 20 0 EGADLP CN(Cc1[nH+]ccn1CC(F)(F)F)c1cc[nH+]cc1Br ZINC000274774176 267284809 /nfs/dbraw/zinc/28/48/09/267284809.db2.gz BXXIQFMFYSIOFJ-UHFFFAOYSA-N 2 2 349.154 3.239 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000278384140 268000413 /nfs/dbraw/zinc/00/04/13/268000413.db2.gz FJUDEXYQOPXQQJ-CRAIPNDOSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000278384140 268000415 /nfs/dbraw/zinc/00/04/15/268000415.db2.gz FJUDEXYQOPXQQJ-CRAIPNDOSA-N 2 2 345.487 3.019 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278523148 268031502 /nfs/dbraw/zinc/03/15/02/268031502.db2.gz SPRQWSKHFHWWBA-SJLPKXTDSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000278523148 268031504 /nfs/dbraw/zinc/03/15/04/268031504.db2.gz SPRQWSKHFHWWBA-SJLPKXTDSA-N 2 2 329.488 3.319 20 0 EGADLP COc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1OC ZINC000278580109 268044269 /nfs/dbraw/zinc/04/42/69/268044269.db2.gz DCTNCYTZQILEAZ-UHFFFAOYSA-N 2 2 342.439 3.451 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000261999443 274215370 /nfs/dbraw/zinc/21/53/70/274215370.db2.gz TYZQFVQPCWEOBE-QMMMGPOBSA-N 2 2 325.172 3.247 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000261999443 274215372 /nfs/dbraw/zinc/21/53/72/274215372.db2.gz TYZQFVQPCWEOBE-QMMMGPOBSA-N 2 2 325.172 3.247 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040071 274356232 /nfs/dbraw/zinc/35/62/32/274356232.db2.gz BMOCOPPOZFWCCI-VGSWGCGISA-N 2 2 335.495 3.297 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040071 274356233 /nfs/dbraw/zinc/35/62/33/274356233.db2.gz BMOCOPPOZFWCCI-VGSWGCGISA-N 2 2 335.495 3.297 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000373551255 274548871 /nfs/dbraw/zinc/54/88/71/274548871.db2.gz JTCCAHYQBBKPKZ-BEFAXECRSA-N 2 2 339.487 3.008 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C)o3)cc2)CC1 ZINC000061069990 275150315 /nfs/dbraw/zinc/15/03/15/275150315.db2.gz XRHDYEFLGQMJBC-UHFFFAOYSA-N 2 2 327.472 3.015 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000090914090 275153753 /nfs/dbraw/zinc/15/37/53/275153753.db2.gz IDBGOLIHWICPQM-KCZVDYSFSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000090914090 275153754 /nfs/dbraw/zinc/15/37/54/275153754.db2.gz IDBGOLIHWICPQM-KCZVDYSFSA-N 2 2 336.479 3.289 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCC1 ZINC000097927983 275156483 /nfs/dbraw/zinc/15/64/83/275156483.db2.gz CLFVPWZWTDCIHM-MRXNPFEDSA-N 2 2 337.305 3.380 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000109786041 275179139 /nfs/dbraw/zinc/17/91/39/275179139.db2.gz NOYRWYSPBYSXEA-GOSISDBHSA-N 2 2 345.531 3.287 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000109786041 275179140 /nfs/dbraw/zinc/17/91/40/275179140.db2.gz NOYRWYSPBYSXEA-GOSISDBHSA-N 2 2 345.531 3.287 20 0 EGADLP CCOc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)c1 ZINC000271771161 275238196 /nfs/dbraw/zinc/23/81/96/275238196.db2.gz FISLJMGNWNVCRR-MRXNPFEDSA-N 2 2 348.487 3.154 20 0 EGADLP CCO[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000272264448 275243625 /nfs/dbraw/zinc/24/36/25/275243625.db2.gz MHAVFEFQRSKWOW-ROUUACIJSA-N 2 2 346.519 3.228 20 0 EGADLP CC(C)(C)OCc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)no1 ZINC000275042774 275251092 /nfs/dbraw/zinc/25/10/92/275251092.db2.gz YXJDHNGNBWHIJR-UHFFFAOYSA-N 2 2 344.459 3.143 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278691764 275266092 /nfs/dbraw/zinc/26/60/92/275266092.db2.gz OQSAOQUJOYTDDL-INIZCTEOSA-N 2 2 330.819 3.091 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278691764 275266094 /nfs/dbraw/zinc/26/60/94/275266094.db2.gz OQSAOQUJOYTDDL-INIZCTEOSA-N 2 2 330.819 3.091 20 0 EGADLP CSC[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697776 275266637 /nfs/dbraw/zinc/26/66/37/275266637.db2.gz SRBZLBHURRKDPB-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697776 275266638 /nfs/dbraw/zinc/26/66/38/275266638.db2.gz SRBZLBHURRKDPB-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278697776 275266639 /nfs/dbraw/zinc/26/66/39/275266639.db2.gz SRBZLBHURRKDPB-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278697776 275266640 /nfs/dbraw/zinc/26/66/40/275266640.db2.gz SRBZLBHURRKDPB-RTBURBONSA-N 2 2 334.529 3.105 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000278709380 275267411 /nfs/dbraw/zinc/26/74/11/275267411.db2.gz UHHMCSHJNMRKDM-CALCHBBNSA-N 2 2 345.487 3.023 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000278944673 275289934 /nfs/dbraw/zinc/28/99/34/275289934.db2.gz YGSONMXALNLKPD-INIZCTEOSA-N 2 2 336.907 3.498 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000278944673 275289936 /nfs/dbraw/zinc/28/99/36/275289936.db2.gz YGSONMXALNLKPD-INIZCTEOSA-N 2 2 336.907 3.498 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279583811 275341730 /nfs/dbraw/zinc/34/17/30/275341730.db2.gz GZCLEIUJTYYTQJ-UHFFFAOYSA-N 2 2 330.451 3.316 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279583811 275341732 /nfs/dbraw/zinc/34/17/32/275341732.db2.gz GZCLEIUJTYYTQJ-UHFFFAOYSA-N 2 2 330.451 3.316 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)c[nH+]1 ZINC000282417098 275632219 /nfs/dbraw/zinc/63/22/19/275632219.db2.gz YLMAEUWXFGVNDD-IBGZPJMESA-N 2 2 325.456 3.370 20 0 EGADLP Cc1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)no1 ZINC000285270430 275860932 /nfs/dbraw/zinc/86/09/32/275860932.db2.gz QSXBBDRUHCHIRQ-CQSZACIVSA-N 2 2 329.448 3.082 20 0 EGADLP Cc1ccnc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000286075462 275948571 /nfs/dbraw/zinc/94/85/71/275948571.db2.gz LFVYTNZTYILQFY-WBVHZDCISA-N 2 2 325.460 3.098 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000287429487 276119192 /nfs/dbraw/zinc/11/91/92/276119192.db2.gz GMLFGFNOLYGUJY-QAPCUYQASA-N 2 2 338.455 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000287429487 276119193 /nfs/dbraw/zinc/11/91/93/276119193.db2.gz GMLFGFNOLYGUJY-QAPCUYQASA-N 2 2 338.455 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000287492753 276124696 /nfs/dbraw/zinc/12/46/96/276124696.db2.gz KYEVOQVGGUNOTL-WBVHZDCISA-N 2 2 328.460 3.179 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000287492753 276124698 /nfs/dbraw/zinc/12/46/98/276124698.db2.gz KYEVOQVGGUNOTL-WBVHZDCISA-N 2 2 328.460 3.179 20 0 EGADLP CCC(CC)(CNC(=O)CCc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000287591745 276137128 /nfs/dbraw/zinc/13/71/28/276137128.db2.gz WVPIMUUULOTSOT-MRXNPFEDSA-N 2 2 342.487 3.368 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000287704960 276149055 /nfs/dbraw/zinc/14/90/55/276149055.db2.gz ZVFXXGDNXLWKAO-HOCLYGCPSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000287704960 276149056 /nfs/dbraw/zinc/14/90/56/276149056.db2.gz ZVFXXGDNXLWKAO-HOCLYGCPSA-N 2 2 330.476 3.473 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000287735505 276152037 /nfs/dbraw/zinc/15/20/37/276152037.db2.gz PJBSSRRKQFPNFQ-BBWFWOEESA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000287735505 276152039 /nfs/dbraw/zinc/15/20/39/276152039.db2.gz PJBSSRRKQFPNFQ-BBWFWOEESA-N 2 2 342.405 3.351 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC000287799512 276158343 /nfs/dbraw/zinc/15/83/43/276158343.db2.gz ZRWOBVASNMINSP-INIZCTEOSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCc4occc4C3)c2cc1C ZINC000288867722 276262060 /nfs/dbraw/zinc/26/20/60/276262060.db2.gz QHUUQNYJGOAZLJ-KRWDZBQOSA-N 2 2 339.439 3.055 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCc4occc4C3)c2cc1C ZINC000288867722 276262061 /nfs/dbraw/zinc/26/20/61/276262061.db2.gz QHUUQNYJGOAZLJ-KRWDZBQOSA-N 2 2 339.439 3.055 20 0 EGADLP CC[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289425727 276337182 /nfs/dbraw/zinc/33/71/82/276337182.db2.gz JTMLXYJCVKNKAK-UHFFFAOYSA-N 2 2 329.492 3.117 20 0 EGADLP CC[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289425727 276337184 /nfs/dbraw/zinc/33/71/84/276337184.db2.gz JTMLXYJCVKNKAK-UHFFFAOYSA-N 2 2 329.492 3.117 20 0 EGADLP CC(C)(CO)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cccs1 ZINC000289458707 276341987 /nfs/dbraw/zinc/34/19/87/276341987.db2.gz YBSONADLWXNPAZ-QGZVFWFLSA-N 2 2 342.468 3.178 20 0 EGADLP CC(=O)NCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccsc1 ZINC000289717105 276382556 /nfs/dbraw/zinc/38/25/56/276382556.db2.gz OEPXCCHKPQXISR-UHFFFAOYSA-N 2 2 331.485 3.022 20 0 EGADLP CC(=O)NCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccsc1 ZINC000289717105 276382558 /nfs/dbraw/zinc/38/25/58/276382558.db2.gz OEPXCCHKPQXISR-UHFFFAOYSA-N 2 2 331.485 3.022 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000289768370 276390770 /nfs/dbraw/zinc/39/07/70/276390770.db2.gz PDDFJODVAYROSI-NEPJUHHUSA-N 2 2 340.240 3.394 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000290237301 276469168 /nfs/dbraw/zinc/46/91/68/276469168.db2.gz GJUFOQLBJPGSID-QGZVFWFLSA-N 2 2 333.476 3.312 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000290429615 276494370 /nfs/dbraw/zinc/49/43/70/276494370.db2.gz RPPDTKQAYUCWHK-KRWDZBQOSA-N 2 2 333.476 3.216 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839010 278162107 /nfs/dbraw/zinc/16/21/07/278162107.db2.gz OQDRCUYGQFSUDK-YLJYHZDGSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839010 278162108 /nfs/dbraw/zinc/16/21/08/278162108.db2.gz OQDRCUYGQFSUDK-YLJYHZDGSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246915774 278205331 /nfs/dbraw/zinc/20/53/31/278205331.db2.gz SEQPLZJMBHOGDL-RPRJUTHTSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246915774 278205332 /nfs/dbraw/zinc/20/53/32/278205332.db2.gz SEQPLZJMBHOGDL-RPRJUTHTSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246915774 278205333 /nfs/dbraw/zinc/20/53/33/278205333.db2.gz SEQPLZJMBHOGDL-RPRJUTHTSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246915774 278205335 /nfs/dbraw/zinc/20/53/35/278205335.db2.gz SEQPLZJMBHOGDL-RPRJUTHTSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186322836 278336798 /nfs/dbraw/zinc/33/67/98/278336798.db2.gz VSIAKTJWLJDVFG-CRAIPNDOSA-N 2 2 344.528 3.393 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000358002609 279214758 /nfs/dbraw/zinc/21/47/58/279214758.db2.gz HKLOTICPKDXLKH-HRAATJIYSA-N 2 2 340.515 3.462 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000358002609 279214760 /nfs/dbraw/zinc/21/47/60/279214760.db2.gz HKLOTICPKDXLKH-HRAATJIYSA-N 2 2 340.515 3.462 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1nncn1C ZINC000348706234 280321140 /nfs/dbraw/zinc/32/11/40/280321140.db2.gz GWSWCYOKACXWKN-JQHSSLGASA-N 2 2 333.524 3.145 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000342700715 288848154 /nfs/dbraw/zinc/84/81/54/288848154.db2.gz JADWILHUYHXDQO-ZFWWWQNUSA-N 2 2 326.444 3.089 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000349064514 302669680 /nfs/dbraw/zinc/66/96/80/302669680.db2.gz UUEBDCGTLAPBBQ-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000344835490 303030427 /nfs/dbraw/zinc/03/04/27/303030427.db2.gz SXLGGQUYEZEISB-OGWOLHLISA-N 2 2 344.503 3.173 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000072718514 307381680 /nfs/dbraw/zinc/38/16/80/307381680.db2.gz YAESQAMASYPUNV-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000072718514 307381681 /nfs/dbraw/zinc/38/16/81/307381681.db2.gz YAESQAMASYPUNV-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CCOC3)cc2)c[nH+]1 ZINC000088701619 307447407 /nfs/dbraw/zinc/44/74/07/307447407.db2.gz WFHHNBAKXABXHA-FQEVSTJZSA-N 2 2 333.435 3.477 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000119892388 307501209 /nfs/dbraw/zinc/50/12/09/307501209.db2.gz YSRYKGKQUBQUPJ-KKUMJFAQSA-N 2 2 340.895 3.499 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2n(n1)CCC2 ZINC000414063295 309058592 /nfs/dbraw/zinc/05/85/92/309058592.db2.gz DPMRNSTXKXCKMW-ZDUSSCGKSA-N 2 2 325.391 3.005 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccn(C)n1 ZINC000414079481 309059564 /nfs/dbraw/zinc/05/95/64/309059564.db2.gz CGPYJQNQEDRVKZ-INIZCTEOSA-N 2 2 338.455 3.496 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccn(C)n1 ZINC000414079481 309059565 /nfs/dbraw/zinc/05/95/65/309059565.db2.gz CGPYJQNQEDRVKZ-INIZCTEOSA-N 2 2 338.455 3.496 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)C[C@H]4CC[NH2+]C4)cc3)[nH+]c12 ZINC000130489466 307629525 /nfs/dbraw/zinc/62/95/25/307629525.db2.gz GKJWUVTTWXRBOV-OAHLLOKOSA-N 2 2 334.423 3.248 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000414129693 309062459 /nfs/dbraw/zinc/06/24/59/309062459.db2.gz VGPOTWZMSNNRSH-ABSDTBQOSA-N 2 2 339.483 3.446 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000414129693 309062460 /nfs/dbraw/zinc/06/24/60/309062460.db2.gz VGPOTWZMSNNRSH-ABSDTBQOSA-N 2 2 339.483 3.446 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000136253539 307710476 /nfs/dbraw/zinc/71/04/76/307710476.db2.gz VXJWXNOZALCPNC-HHNLSAEISA-N 2 2 340.471 3.116 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414170062 309064430 /nfs/dbraw/zinc/06/44/30/309064430.db2.gz VVYZTEGQOVUBTF-QKLQHJQFSA-N 2 2 339.483 3.274 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414170062 309064431 /nfs/dbraw/zinc/06/44/31/309064431.db2.gz VVYZTEGQOVUBTF-QKLQHJQFSA-N 2 2 339.483 3.274 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000153344592 307771287 /nfs/dbraw/zinc/77/12/87/307771287.db2.gz NJUQQMFIIHWZOR-KGLIPLIRSA-N 2 2 346.393 3.204 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cncs1 ZINC000414259855 309069179 /nfs/dbraw/zinc/06/91/79/309069179.db2.gz GUVKIMQZJYZTNT-KBAYOESNSA-N 2 2 345.512 3.331 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cncs1 ZINC000414259855 309069180 /nfs/dbraw/zinc/06/91/80/309069180.db2.gz GUVKIMQZJYZTNT-KBAYOESNSA-N 2 2 345.512 3.331 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1Cl ZINC000158896714 307865401 /nfs/dbraw/zinc/86/54/01/307865401.db2.gz GVYDZEOAWNFACZ-UKRRQHHQSA-N 2 2 328.859 3.223 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c(C)n1 ZINC000164393080 307927522 /nfs/dbraw/zinc/92/75/22/307927522.db2.gz MCJAWJMRUODHHH-MRXNPFEDSA-N 2 2 346.519 3.027 20 0 EGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(OC(C)(C)C)c1 ZINC000414372434 309076109 /nfs/dbraw/zinc/07/61/09/309076109.db2.gz XTWLFWAQWLZJPE-UHFFFAOYSA-N 2 2 330.476 3.262 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000414439031 309080028 /nfs/dbraw/zinc/08/00/28/309080028.db2.gz FIMGNNMPPFWIPJ-OAHLLOKOSA-N 2 2 339.418 3.043 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000414439031 309080029 /nfs/dbraw/zinc/08/00/29/309080029.db2.gz FIMGNNMPPFWIPJ-OAHLLOKOSA-N 2 2 339.418 3.043 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292881124 308075741 /nfs/dbraw/zinc/07/57/41/308075741.db2.gz DYAOCFKNHXNMAB-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292881124 308075743 /nfs/dbraw/zinc/07/57/43/308075743.db2.gz DYAOCFKNHXNMAB-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292881124 308075745 /nfs/dbraw/zinc/07/57/45/308075745.db2.gz DYAOCFKNHXNMAB-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292881124 308075747 /nfs/dbraw/zinc/07/57/47/308075747.db2.gz DYAOCFKNHXNMAB-KBXCAEBGSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022785 308091117 /nfs/dbraw/zinc/09/11/17/308091117.db2.gz QVZYGHXQXBFQSP-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022785 308091119 /nfs/dbraw/zinc/09/11/19/308091119.db2.gz QVZYGHXQXBFQSP-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000293022785 308091121 /nfs/dbraw/zinc/09/11/21/308091121.db2.gz QVZYGHXQXBFQSP-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000293022785 308091122 /nfs/dbraw/zinc/09/11/22/308091122.db2.gz QVZYGHXQXBFQSP-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP CC1CC[NH+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000293724953 308156416 /nfs/dbraw/zinc/15/64/16/308156416.db2.gz MRIIQICNBSQGBL-SFHVURJKSA-N 2 2 345.466 3.135 20 0 EGADLP Cc1cnc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000294819696 308260951 /nfs/dbraw/zinc/26/09/51/308260951.db2.gz RHNLETYBWUAIOS-UHFFFAOYSA-N 2 2 344.528 3.062 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948967 308275301 /nfs/dbraw/zinc/27/53/01/308275301.db2.gz YIMINYWAGOXIEC-VYDXJSESSA-N 2 2 343.471 3.309 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948967 308275303 /nfs/dbraw/zinc/27/53/03/308275303.db2.gz YIMINYWAGOXIEC-VYDXJSESSA-N 2 2 343.471 3.309 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(C3CC3)ccc2F)CC1 ZINC000295133141 308295226 /nfs/dbraw/zinc/29/52/26/308295226.db2.gz OVZOPDPOPNPREM-UHFFFAOYSA-N 2 2 348.462 3.210 20 0 EGADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414620538 309091951 /nfs/dbraw/zinc/09/19/51/309091951.db2.gz PYMBXILPESSVIM-LBPRGKRZSA-N 2 2 335.358 3.100 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958901 308378886 /nfs/dbraw/zinc/37/88/86/308378886.db2.gz HRWKLPGOPUBZOS-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(F)c1Br ZINC000295958901 308378887 /nfs/dbraw/zinc/37/88/87/308378887.db2.gz HRWKLPGOPUBZOS-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(F)c1Br ZINC000295958901 308378888 /nfs/dbraw/zinc/37/88/88/308378888.db2.gz HRWKLPGOPUBZOS-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(F)c1Br ZINC000295958901 308378889 /nfs/dbraw/zinc/37/88/89/308378889.db2.gz HRWKLPGOPUBZOS-SMDDNHRTSA-N 2 2 329.257 3.360 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000414650171 309093556 /nfs/dbraw/zinc/09/35/56/309093556.db2.gz CWSIEDBSUNIYSA-HNNXBMFYSA-N 2 2 328.412 3.029 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC000414650171 309093557 /nfs/dbraw/zinc/09/35/57/309093557.db2.gz CWSIEDBSUNIYSA-HNNXBMFYSA-N 2 2 328.412 3.029 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297367070 308527158 /nfs/dbraw/zinc/52/71/58/308527158.db2.gz QEJJIOHJWJAZDA-LBPRGKRZSA-N 2 2 329.835 3.418 20 0 EGADLP Clc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)c(-n2cncn2)c1 ZINC000414799372 309102229 /nfs/dbraw/zinc/10/22/29/309102229.db2.gz DLGRBOPJUQJVBY-UHFFFAOYSA-N 2 2 347.894 3.323 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCC[NH2+]C1 ZINC000414844906 309105222 /nfs/dbraw/zinc/10/52/22/309105222.db2.gz DFVNAMUMKVXSBK-HOTGVXAUSA-N 3 2 335.923 3.282 20 0 EGADLP CN(C)c1[nH+]cccc1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000413217031 309021976 /nfs/dbraw/zinc/02/19/76/309021976.db2.gz WYRKIYKTRLNLIK-UHFFFAOYSA-N 2 2 338.455 3.386 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414849601 309105417 /nfs/dbraw/zinc/10/54/17/309105417.db2.gz ROXHRLZUTDDYPO-QGZVFWFLSA-N 2 2 342.487 3.155 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000414850566 309105561 /nfs/dbraw/zinc/10/55/61/309105561.db2.gz SPNHDPUIMHLJBL-FQEVSTJZSA-N 2 2 349.482 3.395 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000414853871 309105596 /nfs/dbraw/zinc/10/55/96/309105596.db2.gz YJSYQDNCLYSBDA-QGZVFWFLSA-N 2 2 343.437 3.426 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cc(O)ccc1Br)C1CCCCC1 ZINC000414851550 309105604 /nfs/dbraw/zinc/10/56/04/309105604.db2.gz PHROZEOOBYVACZ-HNNXBMFYSA-N 2 2 327.266 3.152 20 0 EGADLP CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000414884416 309107195 /nfs/dbraw/zinc/10/71/95/309107195.db2.gz OANCWFAYALGXSF-RTWAWAEBSA-N 2 2 340.467 3.329 20 0 EGADLP [NH3+][C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1CC1 ZINC000414891586 309107634 /nfs/dbraw/zinc/10/76/34/309107634.db2.gz ONAZXDDKXLXLDG-SFHVURJKSA-N 2 2 343.858 3.419 20 0 EGADLP [NH3+][C@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000414893526 309107743 /nfs/dbraw/zinc/10/77/43/309107743.db2.gz RMQUDUWOZDNMIT-GOSISDBHSA-N 2 2 343.858 3.419 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414947165 309110821 /nfs/dbraw/zinc/11/08/21/309110821.db2.gz UTSLJRFVSJPHDG-CQSZACIVSA-N 2 2 336.785 3.217 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1OC ZINC000414950268 309110848 /nfs/dbraw/zinc/11/08/48/309110848.db2.gz DYQYVPROPZXASP-BEFAXECRSA-N 2 2 340.467 3.111 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414952399 309111114 /nfs/dbraw/zinc/11/11/14/309111114.db2.gz IDOQGVKGMWWCRR-FPOVZHCZSA-N 2 2 342.458 3.250 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c(-c2cnn(C)c2)c1 ZINC000414964397 309111903 /nfs/dbraw/zinc/11/19/03/309111903.db2.gz YEADMQPIVWXFBZ-JOCHJYFZSA-N 2 2 346.478 3.372 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415055736 309116872 /nfs/dbraw/zinc/11/68/72/309116872.db2.gz OXVWBTWKPFEPST-HNNXBMFYSA-N 2 2 333.457 3.002 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)c2cccs2)CC1 ZINC000415079511 309118778 /nfs/dbraw/zinc/11/87/78/309118778.db2.gz HWOZSMGVYJMSSP-FGTMMUONSA-N 3 2 335.561 3.499 20 0 EGADLP C[C@H]1CCC[C@H](C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126776 309122271 /nfs/dbraw/zinc/12/22/71/309122271.db2.gz GVEYKEAQXNRGPJ-ICSRJNTNSA-N 3 2 329.532 3.396 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)CCCC[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000415470200 309134397 /nfs/dbraw/zinc/13/43/97/309134397.db2.gz XREZJFLBJKXMAZ-HZPDHXFCSA-N 2 2 347.507 3.408 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417358209 309202807 /nfs/dbraw/zinc/20/28/07/309202807.db2.gz SWSUXWLBKORRMC-IBGZPJMESA-N 2 2 325.456 3.058 20 0 EGADLP C[NH+](C)C1(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000418113687 309236046 /nfs/dbraw/zinc/23/60/46/309236046.db2.gz JPYVJLMQGZXXFJ-UHFFFAOYSA-N 2 2 327.255 3.453 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000419292985 309263320 /nfs/dbraw/zinc/26/33/20/309263320.db2.gz MZHMOUHVIJCFQJ-ZDUSSCGKSA-N 2 2 335.879 3.274 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000420267590 309278729 /nfs/dbraw/zinc/27/87/29/309278729.db2.gz DAZDJLQDJFMCNU-IBGZPJMESA-N 2 2 347.466 3.252 20 0 EGADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)n2)cc1 ZINC000420298618 309280304 /nfs/dbraw/zinc/28/03/04/309280304.db2.gz FIXLNHRWQWVZCL-GOSISDBHSA-N 2 2 346.500 3.020 20 0 EGADLP CC[N@H+](Cc1csc(Nc2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000420306429 309280764 /nfs/dbraw/zinc/28/07/64/309280764.db2.gz HJYXQRKPYCHVHQ-KRWDZBQOSA-N 2 2 330.501 3.273 20 0 EGADLP CC[N@@H+](Cc1csc(Nc2ccccc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000420306429 309280765 /nfs/dbraw/zinc/28/07/65/309280765.db2.gz HJYXQRKPYCHVHQ-KRWDZBQOSA-N 2 2 330.501 3.273 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1c1ccccc1 ZINC000420310208 309280906 /nfs/dbraw/zinc/28/09/06/309280906.db2.gz FXIFFPYGOJIWFK-OLZOCXBDSA-N 2 2 341.402 3.336 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(C(F)(F)F)cs2)C[C@H]1c1ccccc1 ZINC000420310208 309280907 /nfs/dbraw/zinc/28/09/07/309280907.db2.gz FXIFFPYGOJIWFK-OLZOCXBDSA-N 2 2 341.402 3.336 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420323972 309282333 /nfs/dbraw/zinc/28/23/33/309282333.db2.gz UUDFFXBVSAQNTF-JVPBZIDWSA-N 2 2 332.875 3.264 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420323972 309282334 /nfs/dbraw/zinc/28/23/34/309282334.db2.gz UUDFFXBVSAQNTF-JVPBZIDWSA-N 2 2 332.875 3.264 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420355914 309283835 /nfs/dbraw/zinc/28/38/35/309283835.db2.gz FPRUQBTXGSLGCG-IBGZPJMESA-N 2 2 337.467 3.270 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000420360773 309284117 /nfs/dbraw/zinc/28/41/17/309284117.db2.gz LKKWOOOSMKROIQ-UYAOXDASSA-N 2 2 345.531 3.387 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccccc1C(F)(F)F ZINC000420360027 309284144 /nfs/dbraw/zinc/28/41/44/309284144.db2.gz GSGHWDYSXHUUMG-JUFZMCDQSA-N 2 2 343.393 3.009 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420371474 309284822 /nfs/dbraw/zinc/28/48/22/309284822.db2.gz PNNTXHRCLABGNO-GQIGUUNPSA-N 2 2 337.467 3.415 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000420409793 309286976 /nfs/dbraw/zinc/28/69/76/309286976.db2.gz QXGSODDVMYJFHO-ZIAGYGMSSA-N 2 2 349.475 3.278 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@H]1C[NH3+] ZINC000420409793 309286977 /nfs/dbraw/zinc/28/69/77/309286977.db2.gz QXGSODDVMYJFHO-ZIAGYGMSSA-N 2 2 349.475 3.278 20 0 EGADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)on1 ZINC000420898369 309299829 /nfs/dbraw/zinc/29/98/29/309299829.db2.gz CTNLWFXJJLFWDG-LJQANCHMSA-N 2 2 341.455 3.152 20 0 EGADLP Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)on1 ZINC000420898369 309299830 /nfs/dbraw/zinc/29/98/30/309299830.db2.gz CTNLWFXJJLFWDG-LJQANCHMSA-N 2 2 341.455 3.152 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc(C4CC4)c3)[nH+]c2)C1 ZINC000421341782 309319130 /nfs/dbraw/zinc/31/91/30/309319130.db2.gz LYTLLGBJVCNGKN-FQEVSTJZSA-N 2 2 336.483 3.133 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000421369606 309320966 /nfs/dbraw/zinc/32/09/66/309320966.db2.gz IHAYBAPDVCDBBC-RCKXYERXSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421369606 309320967 /nfs/dbraw/zinc/32/09/67/309320967.db2.gz IHAYBAPDVCDBBC-RCKXYERXSA-N 3 2 329.532 3.359 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421828896 309342052 /nfs/dbraw/zinc/34/20/52/309342052.db2.gz FWGJOSDUEZZIAO-KXBFYZLASA-N 2 2 338.467 3.089 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1Cl ZINC000421842339 309342806 /nfs/dbraw/zinc/34/28/06/309342806.db2.gz KSSFBHWSYIAOCN-KKXDTOCCSA-N 2 2 337.895 3.154 20 0 EGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[NH2+]C1 ZINC000422737799 309365981 /nfs/dbraw/zinc/36/59/81/309365981.db2.gz ILVDCVDPIXLUIG-OLUVUFQESA-N 2 2 327.291 3.184 20 0 EGADLP COc1ccccc1[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000422740227 309365993 /nfs/dbraw/zinc/36/59/93/309365993.db2.gz BEGSHGZNADHRLU-LNLFQRSKSA-N 2 2 333.520 3.198 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422791491 309368472 /nfs/dbraw/zinc/36/84/72/309368472.db2.gz QFVGTQMDVKTHTQ-OXJNMPFZSA-N 2 2 326.488 3.168 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422808424 309369638 /nfs/dbraw/zinc/36/96/38/309369638.db2.gz LCZRXNSTFJSJBD-UXHICEINSA-N 2 2 337.467 3.403 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000422813167 309369741 /nfs/dbraw/zinc/36/97/41/309369741.db2.gz RPEUHKGCQHFXSC-DEPWHIHDSA-N 3 2 345.531 3.045 20 0 EGADLP CC[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nc1C)[C@@H]1CCCC[NH2+]1 ZINC000422853584 309372113 /nfs/dbraw/zinc/37/21/13/309372113.db2.gz ZGODUYNORTULMZ-OALUTQOASA-N 2 2 330.451 3.330 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(N2CCOCC2)c1 ZINC000422865415 309372661 /nfs/dbraw/zinc/37/26/61/309372661.db2.gz OSCOQPVKDRJJRD-UXHICEINSA-N 2 2 337.467 3.066 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422908873 309375545 /nfs/dbraw/zinc/37/55/45/309375545.db2.gz MZPXLBKDEOPNND-KBMXLJTQSA-N 2 2 337.895 3.048 20 0 EGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])N(C)Cc1ccccc1 ZINC000422913959 309376056 /nfs/dbraw/zinc/37/60/56/309376056.db2.gz ZOCHJWOHFYQALP-LQWHRVPQSA-N 2 2 325.500 3.055 20 0 EGADLP CC(C)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(F)cccc1Cl ZINC000422923546 309376387 /nfs/dbraw/zinc/37/63/87/309376387.db2.gz WNQYOPIEEPWPQZ-NVXWUHKLSA-N 2 2 340.870 3.113 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422938737 309377172 /nfs/dbraw/zinc/37/71/72/309377172.db2.gz FDWQPLGCCQIUFF-BXUZGUMPSA-N 2 2 327.266 3.078 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000422959796 309378229 /nfs/dbraw/zinc/37/82/29/309378229.db2.gz UOIDQJATGIYGMO-POGZOPGASA-N 2 2 344.503 3.028 20 0 EGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000422975070 309379200 /nfs/dbraw/zinc/37/92/00/309379200.db2.gz SGKKOTFXQMTPDY-RTBURBONSA-N 2 2 325.456 3.452 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000422981900 309379293 /nfs/dbraw/zinc/37/92/93/309379293.db2.gz POZSXIVAOUFDCO-NXHRZFHOSA-N 2 2 330.497 3.389 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(Cl)s1 ZINC000422999673 309380153 /nfs/dbraw/zinc/38/01/53/309380153.db2.gz YECORSQYLUYXTL-QJPTWQEYSA-N 2 2 335.300 3.302 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423080453 309384741 /nfs/dbraw/zinc/38/47/41/309384741.db2.gz AGXHBHXZQPXERZ-DNVCBOLYSA-N 2 2 326.488 3.227 20 0 EGADLP CC[NH2+]CC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000423246223 309392224 /nfs/dbraw/zinc/39/22/24/309392224.db2.gz NAZVBAUTIKGIPJ-OAHLLOKOSA-N 2 2 329.282 3.116 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCCCC1 ZINC000423264301 309392893 /nfs/dbraw/zinc/39/28/93/309392893.db2.gz PUTJQNWSHNKWOI-MBDNFAEBSA-N 3 2 341.543 3.394 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CCCCC1 ZINC000423264301 309392894 /nfs/dbraw/zinc/39/28/94/309392894.db2.gz PUTJQNWSHNKWOI-MBDNFAEBSA-N 3 2 341.543 3.394 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(N2CCOCC2)c1 ZINC000423279019 309393814 /nfs/dbraw/zinc/39/38/14/309393814.db2.gz QUWBIIBQADCZLZ-GOSISDBHSA-N 2 2 345.531 3.486 20 0 EGADLP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423310254 309394815 /nfs/dbraw/zinc/39/48/15/309394815.db2.gz ROTHPEUYPHWQAT-BONVTDFDSA-N 2 2 341.224 3.455 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423319263 309395005 /nfs/dbraw/zinc/39/50/05/309395005.db2.gz ZTSSBAZDXOMMGZ-OAHLLOKOSA-N 2 2 338.517 3.053 20 0 EGADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000423332618 309395531 /nfs/dbraw/zinc/39/55/31/309395531.db2.gz DQUOLANJMVSLFO-KSSFIOAISA-N 2 2 338.455 3.213 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000423332347 309395603 /nfs/dbraw/zinc/39/56/03/309395603.db2.gz NEZFUQGGRKUYJU-FASAQXTFSA-N 2 2 329.419 3.026 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)c1 ZINC000423342880 309396235 /nfs/dbraw/zinc/39/62/35/309396235.db2.gz ZDXISXOSWHZDPE-QGZVFWFLSA-N 2 2 326.444 3.323 20 0 EGADLP CCCC[C@H](COC)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423366462 309397320 /nfs/dbraw/zinc/39/73/20/309397320.db2.gz LPJWPQPAJMNVSO-RKVPGOIHSA-N 2 2 326.431 3.205 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1I ZINC000423376174 309397802 /nfs/dbraw/zinc/39/78/02/309397802.db2.gz KTLZPKFBOGDICP-WOPDTQHZSA-N 2 2 344.240 3.082 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423396600 309398535 /nfs/dbraw/zinc/39/85/35/309398535.db2.gz UAPIWVPEOLABGT-ACJLOTCBSA-N 2 2 333.476 3.082 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(SCC(F)F)cc2)CCC[NH2+]1 ZINC000423413817 309399202 /nfs/dbraw/zinc/39/92/02/309399202.db2.gz BBBAGCJICNDGSW-CXAGYDPISA-N 2 2 344.471 3.463 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CCC[NH2+]1 ZINC000423422305 309399714 /nfs/dbraw/zinc/39/97/14/309399714.db2.gz KKCUGXDQUFDKGJ-AEFFLSMTSA-N 2 2 338.879 3.220 20 0 EGADLP Fc1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2cccc(Cl)c2)c1 ZINC000423556227 309406206 /nfs/dbraw/zinc/40/62/06/309406206.db2.gz HYPWQGDWNARJGT-QZTJIDSGSA-N 2 2 334.822 3.147 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423811387 309414097 /nfs/dbraw/zinc/41/40/97/309414097.db2.gz BOSGPXBSJUPFOZ-CRAIPNDOSA-N 2 2 343.496 3.043 20 0 EGADLP CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000423952700 309421931 /nfs/dbraw/zinc/42/19/31/309421931.db2.gz PXVQFIZDXOVPJR-MRXNPFEDSA-N 2 2 345.830 3.337 20 0 EGADLP c1ccc(C[NH+]2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)nc1 ZINC000425368010 309476650 /nfs/dbraw/zinc/47/66/50/309476650.db2.gz JIVFJEJEHQZJRS-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000427864967 309537313 /nfs/dbraw/zinc/53/73/13/309537313.db2.gz GMRMVDIHSGUOKH-PWSUYJOCSA-N 2 2 338.224 3.450 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c[nH+]1 ZINC000428271712 309546336 /nfs/dbraw/zinc/54/63/36/309546336.db2.gz PFBHXWWIYMJPOG-UHFFFAOYSA-N 2 2 349.360 3.174 20 0 EGADLP C[C@H](C[NH2+]CCCc1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000428280234 309546607 /nfs/dbraw/zinc/54/66/07/309546607.db2.gz FPDGWMDYZFFBEX-CQSZACIVSA-N 2 2 345.314 3.484 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000430595498 309612314 /nfs/dbraw/zinc/61/23/14/309612314.db2.gz MLTJNOMCHZPZSR-HXUWFJFHSA-N 2 2 339.439 3.134 20 0 EGADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000431010996 309623380 /nfs/dbraw/zinc/62/33/80/309623380.db2.gz ALDOYUMCQMHIMA-UHFFFAOYSA-N 2 2 342.270 3.007 20 0 EGADLP c1ccc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCC2)cc1 ZINC000433624703 309692936 /nfs/dbraw/zinc/69/29/36/309692936.db2.gz YXZPMFUWOOLIOS-SFHVURJKSA-N 2 2 337.471 3.326 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000435392000 309731592 /nfs/dbraw/zinc/73/15/92/309731592.db2.gz VFXOFKAOVQSRPW-UHFFFAOYSA-N 2 2 340.467 3.458 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444174554 309915333 /nfs/dbraw/zinc/91/53/33/309915333.db2.gz HGRPONXFBXOCJR-RDTXWAMCSA-N 2 2 343.814 3.465 20 0 EGADLP Cc1cc(Br)c(C[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000449062051 310033960 /nfs/dbraw/zinc/03/39/60/310033960.db2.gz KRHAAUMNZVFNPX-UHFFFAOYSA-N 2 2 328.641 3.397 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449094231 310036708 /nfs/dbraw/zinc/03/67/08/310036708.db2.gz RERPYIVLNRPDPF-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449094231 310036709 /nfs/dbraw/zinc/03/67/09/310036709.db2.gz RERPYIVLNRPDPF-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000449109716 310037858 /nfs/dbraw/zinc/03/78/58/310037858.db2.gz XUOTZPYIUJEEGW-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000449109716 310037859 /nfs/dbraw/zinc/03/78/59/310037859.db2.gz XUOTZPYIUJEEGW-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(CSC)CC2)CC1 ZINC000449153763 310040876 /nfs/dbraw/zinc/04/08/76/310040876.db2.gz KVYXTKDYQHJAJD-UHFFFAOYSA-N 2 2 328.566 3.387 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387599 310057979 /nfs/dbraw/zinc/05/79/79/310057979.db2.gz MDBSQKGALQJQMS-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387599 310057980 /nfs/dbraw/zinc/05/79/80/310057980.db2.gz MDBSQKGALQJQMS-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388969 310058253 /nfs/dbraw/zinc/05/82/53/310058253.db2.gz QZUDMVKQQGTUIW-GOEBONIOSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388969 310058254 /nfs/dbraw/zinc/05/82/54/310058254.db2.gz QZUDMVKQQGTUIW-GOEBONIOSA-N 2 2 344.421 3.073 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398734 310058849 /nfs/dbraw/zinc/05/88/49/310058849.db2.gz WHGFWIAPWBMHTN-FCHUYYIVSA-N 2 2 338.495 3.407 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398734 310058850 /nfs/dbraw/zinc/05/88/50/310058850.db2.gz WHGFWIAPWBMHTN-FCHUYYIVSA-N 2 2 338.495 3.407 20 0 EGADLP CC(=O)NC1CCC([NH2+]CC2([N@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000449479116 310065413 /nfs/dbraw/zinc/06/54/13/310065413.db2.gz UHCCMKRFTWCQMI-UHFFFAOYSA-N 2 2 343.515 3.078 20 0 EGADLP CC(=O)NC1CCC([NH2+]CC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000449479116 310065414 /nfs/dbraw/zinc/06/54/14/310065414.db2.gz UHCCMKRFTWCQMI-UHFFFAOYSA-N 2 2 343.515 3.078 20 0 EGADLP CCC(CC)[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000449553795 310071483 /nfs/dbraw/zinc/07/14/83/310071483.db2.gz NNVVKOJKJHEXTQ-UHFFFAOYSA-N 2 2 345.531 3.136 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449581361 310073720 /nfs/dbraw/zinc/07/37/20/310073720.db2.gz ZJUAQTUPWQNNDO-AITUJVMLSA-N 2 2 330.472 3.143 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449581361 310073721 /nfs/dbraw/zinc/07/37/21/310073721.db2.gz ZJUAQTUPWQNNDO-AITUJVMLSA-N 2 2 330.472 3.143 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000449610770 310075295 /nfs/dbraw/zinc/07/52/95/310075295.db2.gz SBDOGQYIWHFTKD-QXAKKESOSA-N 2 2 325.456 3.237 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000449610770 310075296 /nfs/dbraw/zinc/07/52/96/310075296.db2.gz SBDOGQYIWHFTKD-QXAKKESOSA-N 2 2 325.456 3.237 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000449649764 310077454 /nfs/dbraw/zinc/07/74/54/310077454.db2.gz XLGQVACLWBUKJE-HZPDHXFCSA-N 2 2 343.515 3.205 20 0 EGADLP CCn1nc(C)c(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000449786258 310087262 /nfs/dbraw/zinc/08/72/62/310087262.db2.gz MIBUHUSVGOXDGE-UHFFFAOYSA-N 2 2 346.441 3.368 20 0 EGADLP CCn1nc(C)c(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)c1C ZINC000449786258 310087263 /nfs/dbraw/zinc/08/72/63/310087263.db2.gz MIBUHUSVGOXDGE-UHFFFAOYSA-N 2 2 346.441 3.368 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505387 310126944 /nfs/dbraw/zinc/12/69/44/310126944.db2.gz YPBVLXLORGHEEE-TZIWHRDSSA-N 2 2 338.499 3.042 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505387 310126945 /nfs/dbraw/zinc/12/69/45/310126945.db2.gz YPBVLXLORGHEEE-TZIWHRDSSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505387 310126946 /nfs/dbraw/zinc/12/69/46/310126946.db2.gz YPBVLXLORGHEEE-TZIWHRDSSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@H]21 ZINC000450505387 310126947 /nfs/dbraw/zinc/12/69/47/310126947.db2.gz YPBVLXLORGHEEE-TZIWHRDSSA-N 2 2 338.499 3.042 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000450798382 310143047 /nfs/dbraw/zinc/14/30/47/310143047.db2.gz YWPHHJBYIMVNOU-FXAWDEMLSA-N 2 2 341.503 3.029 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000450798382 310143048 /nfs/dbraw/zinc/14/30/48/310143048.db2.gz YWPHHJBYIMVNOU-FXAWDEMLSA-N 2 2 341.503 3.029 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000450798382 310143049 /nfs/dbraw/zinc/14/30/49/310143049.db2.gz YWPHHJBYIMVNOU-FXAWDEMLSA-N 2 2 341.503 3.029 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000450798382 310143050 /nfs/dbraw/zinc/14/30/50/310143050.db2.gz YWPHHJBYIMVNOU-FXAWDEMLSA-N 2 2 341.503 3.029 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000451020902 310155744 /nfs/dbraw/zinc/15/57/44/310155744.db2.gz AJTKFPYSMVYTKH-HUUCEWRRSA-N 2 2 339.430 3.426 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000451020902 310155745 /nfs/dbraw/zinc/15/57/45/310155745.db2.gz AJTKFPYSMVYTKH-HUUCEWRRSA-N 2 2 339.430 3.426 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918852 310203804 /nfs/dbraw/zinc/20/38/04/310203804.db2.gz YWXLPNHXRNYPIW-HZPDHXFCSA-N 2 2 331.287 3.275 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918852 310203805 /nfs/dbraw/zinc/20/38/05/310203805.db2.gz YWXLPNHXRNYPIW-HZPDHXFCSA-N 2 2 331.287 3.275 20 0 EGADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000452100332 310212037 /nfs/dbraw/zinc/21/20/37/310212037.db2.gz ZEXWVSFGFABKRX-HXUWFJFHSA-N 2 2 326.484 3.207 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452341078 310224303 /nfs/dbraw/zinc/22/43/03/310224303.db2.gz FHIUVULZDWGZPS-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452353410 310224559 /nfs/dbraw/zinc/22/45/59/310224559.db2.gz JKEYGLMQLNGQLN-QGZVFWFLSA-N 2 2 328.460 3.406 20 0 EGADLP COCC[N@@H+](C)CC[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000453109409 310258477 /nfs/dbraw/zinc/25/84/77/310258477.db2.gz PKXBMAWTDMATFR-WDSOQIARSA-N 2 2 342.487 3.188 20 0 EGADLP CCC[N@H+](CC)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453121905 310259459 /nfs/dbraw/zinc/25/94/59/310259459.db2.gz DJQNUNDHTNUBNW-KRWDZBQOSA-N 2 2 334.895 3.484 20 0 EGADLP CCC[N@@H+](CC)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453121905 310259460 /nfs/dbraw/zinc/25/94/60/310259460.db2.gz DJQNUNDHTNUBNW-KRWDZBQOSA-N 2 2 334.895 3.484 20 0 EGADLP C[C@@H](CCCc1cccnc1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000453125311 310259554 /nfs/dbraw/zinc/25/95/54/310259554.db2.gz OMFDIEGQRSCFKV-SFHVURJKSA-N 2 2 337.511 3.482 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccncc1 ZINC000453132865 310260057 /nfs/dbraw/zinc/26/00/57/310260057.db2.gz UOFZDNPCFQYPRL-HKBOAZHASA-N 2 2 339.483 3.005 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccncc1 ZINC000453132865 310260058 /nfs/dbraw/zinc/26/00/58/310260058.db2.gz UOFZDNPCFQYPRL-HKBOAZHASA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@H](C)Cc2cnccn2)[NH+](C)C)cc1 ZINC000453212108 310264465 /nfs/dbraw/zinc/26/44/65/310264465.db2.gz BVJASQVPTZAPSQ-DYESRHJHSA-N 2 2 340.515 3.499 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000453590199 310283143 /nfs/dbraw/zinc/28/31/43/310283143.db2.gz AYMWJHCFBYBFTM-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000453590199 310283144 /nfs/dbraw/zinc/28/31/44/310283144.db2.gz AYMWJHCFBYBFTM-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590199 310283145 /nfs/dbraw/zinc/28/31/45/310283145.db2.gz AYMWJHCFBYBFTM-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590199 310283146 /nfs/dbraw/zinc/28/31/46/310283146.db2.gz AYMWJHCFBYBFTM-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cccn2c(CN(CC[NH+](C)C)Cc3ccsc3)c[nH+]c12 ZINC000459756661 310573496 /nfs/dbraw/zinc/57/34/96/310573496.db2.gz UAYBBBQHHGDBPQ-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000474810297 310799830 /nfs/dbraw/zinc/79/98/30/310799830.db2.gz RKMDBSRLCQSAFS-ZQDZILKHSA-N 2 2 342.936 3.451 20 0 EGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000485293578 310975477 /nfs/dbraw/zinc/97/54/77/310975477.db2.gz QPPGKZBQYZRKGY-KXBFYZLASA-N 2 2 347.478 3.397 20 0 EGADLP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000488451534 311066383 /nfs/dbraw/zinc/06/63/83/311066383.db2.gz STKQVSBPTZZEFU-UYAOXDASSA-N 2 2 347.572 3.318 20 0 EGADLP CC(C)[C@@H]1C[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CS1 ZINC000488461077 311066902 /nfs/dbraw/zinc/06/69/02/311066902.db2.gz KSPZDCLYSZKSFW-OIISXLGYSA-N 2 2 334.533 3.164 20 0 EGADLP CCOC(=O)N1CCC([C@@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000492279042 311232977 /nfs/dbraw/zinc/23/29/77/311232977.db2.gz UHWKOVAHSJXQQB-MRXNPFEDSA-N 2 2 333.476 3.169 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000492751681 311287097 /nfs/dbraw/zinc/28/70/97/311287097.db2.gz YUAMLAJNGWROJG-RDJZCZTQSA-N 2 2 349.519 3.159 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000492751681 311287098 /nfs/dbraw/zinc/28/70/98/311287098.db2.gz YUAMLAJNGWROJG-RDJZCZTQSA-N 2 2 349.519 3.159 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000492829936 311296445 /nfs/dbraw/zinc/29/64/45/311296445.db2.gz BZMFGXRQXXTAKU-AATRIKPKSA-N 2 2 345.406 3.019 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000493890905 311443174 /nfs/dbraw/zinc/44/31/74/311443174.db2.gz IIUSVUKNECTQMM-YSTOQKLRSA-N 2 2 328.500 3.399 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)Cc2ccccc2C1 ZINC000493893536 311443671 /nfs/dbraw/zinc/44/36/71/311443671.db2.gz HCHHGVAMNVZZBM-HSALFYBXSA-N 2 2 340.511 3.023 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000495429098 311562784 /nfs/dbraw/zinc/56/27/84/311562784.db2.gz DZRDFQYWZDUUCU-UHFFFAOYSA-N 2 2 346.475 3.388 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471534 312049880 /nfs/dbraw/zinc/04/98/80/312049880.db2.gz CWXKNZSDWAUGJW-OALUTQOASA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471534 312049882 /nfs/dbraw/zinc/04/98/82/312049882.db2.gz CWXKNZSDWAUGJW-OALUTQOASA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471534 312049884 /nfs/dbraw/zinc/04/98/84/312049884.db2.gz CWXKNZSDWAUGJW-OALUTQOASA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000506471534 312049887 /nfs/dbraw/zinc/04/98/87/312049887.db2.gz CWXKNZSDWAUGJW-OALUTQOASA-N 2 2 349.563 3.364 20 0 EGADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480763 312050601 /nfs/dbraw/zinc/05/06/01/312050601.db2.gz MSLIAYAIHGFQTR-NUVZVAJJSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480763 312050603 /nfs/dbraw/zinc/05/06/03/312050603.db2.gz MSLIAYAIHGFQTR-NUVZVAJJSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480763 312050605 /nfs/dbraw/zinc/05/06/05/312050605.db2.gz MSLIAYAIHGFQTR-NUVZVAJJSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480763 312050607 /nfs/dbraw/zinc/05/06/07/312050607.db2.gz MSLIAYAIHGFQTR-NUVZVAJJSA-N 2 2 349.563 3.268 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000507227958 312064162 /nfs/dbraw/zinc/06/41/62/312064162.db2.gz JFRFCTIKYGOKQN-MVCQKVDPSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000507227958 312064164 /nfs/dbraw/zinc/06/41/64/312064164.db2.gz JFRFCTIKYGOKQN-MVCQKVDPSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1cc(Cl)ccc1C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000511074641 312154094 /nfs/dbraw/zinc/15/40/94/312154094.db2.gz VXKSPIMDPUBJAK-UHFFFAOYSA-N 2 2 335.923 3.252 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142782 312156230 /nfs/dbraw/zinc/15/62/30/312156230.db2.gz GFPMXVWBYXNKJM-XJKSGUPXSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142782 312156232 /nfs/dbraw/zinc/15/62/32/312156232.db2.gz GFPMXVWBYXNKJM-XJKSGUPXSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142782 312156233 /nfs/dbraw/zinc/15/62/33/312156233.db2.gz GFPMXVWBYXNKJM-XJKSGUPXSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142782 312156235 /nfs/dbraw/zinc/15/62/35/312156235.db2.gz GFPMXVWBYXNKJM-XJKSGUPXSA-N 2 2 338.879 3.431 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000512307596 312182747 /nfs/dbraw/zinc/18/27/47/312182747.db2.gz BAZXIHJNKNHNPA-MISYRCLQSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000512307596 312182749 /nfs/dbraw/zinc/18/27/49/312182749.db2.gz BAZXIHJNKNHNPA-MISYRCLQSA-N 2 2 349.563 3.077 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513154738 312203062 /nfs/dbraw/zinc/20/30/62/312203062.db2.gz QZCGGEKRZYGOKM-SJPCQFCGSA-N 2 2 343.515 3.480 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513154738 312203063 /nfs/dbraw/zinc/20/30/63/312203063.db2.gz QZCGGEKRZYGOKM-SJPCQFCGSA-N 2 2 343.515 3.480 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513154738 312203065 /nfs/dbraw/zinc/20/30/65/312203065.db2.gz QZCGGEKRZYGOKM-SJPCQFCGSA-N 2 2 343.515 3.480 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513154738 312203067 /nfs/dbraw/zinc/20/30/67/312203067.db2.gz QZCGGEKRZYGOKM-SJPCQFCGSA-N 2 2 343.515 3.480 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)[NH+](C)C ZINC000515400261 312280825 /nfs/dbraw/zinc/28/08/25/312280825.db2.gz GRVITYMNATVVHD-LLVKDONJSA-N 2 2 331.273 3.449 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661053 312336198 /nfs/dbraw/zinc/33/61/98/312336198.db2.gz JVUBKRBMUDUGDZ-SJLPKXTDSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661053 312336199 /nfs/dbraw/zinc/33/61/99/312336199.db2.gz JVUBKRBMUDUGDZ-SJLPKXTDSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3[C@@H](C)CCC[C@@H]3C)c2cc1C ZINC000521219863 312537418 /nfs/dbraw/zinc/53/74/18/312537418.db2.gz URQJUCBQFVTUCB-GRDNDAEWSA-N 2 2 329.488 3.428 20 0 EGADLP COc1ccc([C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)c2[nH+]ccn2C)cc1 ZINC000521609752 312552477 /nfs/dbraw/zinc/55/24/77/312552477.db2.gz LKWSMOYSGVMLBT-UFYCRDLUSA-N 2 2 348.450 3.253 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2Br)CC1 ZINC000087787901 454089192 /nfs/dbraw/zinc/08/91/92/454089192.db2.gz UFVDUVFOSCYOBF-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC(C)([NH+]4CCOCC4)CC3)c2c1 ZINC000528191083 313036408 /nfs/dbraw/zinc/03/64/08/313036408.db2.gz SYAZKXQGQVWZAE-UHFFFAOYSA-N 2 2 325.456 3.234 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC(F)(F)C[C@@H]3C)c2cc1C ZINC000528771635 313169254 /nfs/dbraw/zinc/16/92/54/313169254.db2.gz YSYGRNIVSPERRA-GJZGRUSLSA-N 2 2 337.414 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC(F)(F)C[C@@H]3C)c2cc1C ZINC000528771635 313169257 /nfs/dbraw/zinc/16/92/57/313169257.db2.gz YSYGRNIVSPERRA-GJZGRUSLSA-N 2 2 337.414 3.134 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000529664552 313380972 /nfs/dbraw/zinc/38/09/72/313380972.db2.gz QVCRISCOPOMWDX-IHWYPQMZSA-N 2 2 336.426 3.165 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000529721548 313397976 /nfs/dbraw/zinc/39/79/76/313397976.db2.gz YXMYGWQEBGCXTF-LJQANCHMSA-N 2 2 338.455 3.009 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000529721548 313397979 /nfs/dbraw/zinc/39/79/79/313397979.db2.gz YXMYGWQEBGCXTF-LJQANCHMSA-N 2 2 338.455 3.009 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217190 313499277 /nfs/dbraw/zinc/49/92/77/313499277.db2.gz FQNHZACDUOUPRD-YJBOKZPZSA-N 2 2 344.503 3.496 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2ccc(Cl)cc2Cl)n1C ZINC000070142563 454167373 /nfs/dbraw/zinc/16/73/73/454167373.db2.gz MLHDAZHUDSZGSS-UHFFFAOYSA-N 2 2 327.259 3.125 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123022 313876587 /nfs/dbraw/zinc/87/65/87/313876587.db2.gz IHLRBHKOGGQKCS-AZUAARDMSA-N 2 2 347.466 3.433 20 0 EGADLP CCc1ccccc1NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862524 314003006 /nfs/dbraw/zinc/00/30/06/314003006.db2.gz KROVYXAYKMRHQA-UHFFFAOYSA-N 2 2 338.455 3.159 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000535313777 314040320 /nfs/dbraw/zinc/04/03/20/314040320.db2.gz KRJCUIOXMURFTK-AWEZNQCLSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000535313777 314040321 /nfs/dbraw/zinc/04/03/21/314040321.db2.gz KRJCUIOXMURFTK-AWEZNQCLSA-N 2 2 326.375 3.204 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)nn3)C2)[nH]1 ZINC000535747039 314067014 /nfs/dbraw/zinc/06/70/14/314067014.db2.gz NPOFXIWAKZPAFP-HNNXBMFYSA-N 2 2 335.411 3.372 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)nn3)C2)[nH]1 ZINC000535747039 314067016 /nfs/dbraw/zinc/06/70/16/314067016.db2.gz NPOFXIWAKZPAFP-HNNXBMFYSA-N 2 2 335.411 3.372 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000535757924 314069942 /nfs/dbraw/zinc/06/99/42/314069942.db2.gz DFINTXMIQJRQCG-ZDUSSCGKSA-N 2 2 339.361 3.307 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000535757924 314069945 /nfs/dbraw/zinc/06/99/45/314069945.db2.gz DFINTXMIQJRQCG-ZDUSSCGKSA-N 2 2 339.361 3.307 20 0 EGADLP CCN(C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000536371911 314109652 /nfs/dbraw/zinc/10/96/52/314109652.db2.gz SOYJPIMLZABWHX-UHFFFAOYSA-N 2 2 338.455 3.011 20 0 EGADLP C[N@H+](Cc1ccc2[nH]cnc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000536653971 314135760 /nfs/dbraw/zinc/13/57/60/314135760.db2.gz OHSISYRXVSNCQF-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@@H+](Cc1ccc2[nH]cnc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000536653971 314135765 /nfs/dbraw/zinc/13/57/65/314135765.db2.gz OHSISYRXVSNCQF-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@H+](Cc1ccc2nc[nH]c2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000536653971 314135768 /nfs/dbraw/zinc/13/57/68/314135768.db2.gz OHSISYRXVSNCQF-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@@H+](Cc1ccc2nc[nH]c2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000536653971 314135771 /nfs/dbraw/zinc/13/57/71/314135771.db2.gz OHSISYRXVSNCQF-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000537019731 314156739 /nfs/dbraw/zinc/15/67/39/314156739.db2.gz OYVLTZXKXRAPGJ-CYBMUJFWSA-N 2 2 329.400 3.099 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000537959242 314220523 /nfs/dbraw/zinc/22/05/23/314220523.db2.gz YWPLWHKXFPWPSL-DYESRHJHSA-N 2 2 339.483 3.399 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000537959242 314220526 /nfs/dbraw/zinc/22/05/26/314220526.db2.gz YWPLWHKXFPWPSL-DYESRHJHSA-N 2 2 339.483 3.399 20 0 EGADLP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000538179182 314230745 /nfs/dbraw/zinc/23/07/45/314230745.db2.gz LJIQOMKMLCUEMR-JWWGGVBKSA-N 2 2 348.531 3.224 20 0 EGADLP CCC(CC)[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000538179182 314230748 /nfs/dbraw/zinc/23/07/48/314230748.db2.gz LJIQOMKMLCUEMR-JWWGGVBKSA-N 2 2 348.531 3.224 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)c(C)n2n1 ZINC000540085101 314362255 /nfs/dbraw/zinc/36/22/55/314362255.db2.gz JBJGDFSGNIWQRX-OAHLLOKOSA-N 2 2 346.438 3.383 20 0 EGADLP COc1ccc([C@H](C)C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000540497292 314384484 /nfs/dbraw/zinc/38/44/84/314384484.db2.gz WZCVHTULWPNBBG-MRXNPFEDSA-N 2 2 341.455 3.025 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CC1 ZINC000541078425 314434034 /nfs/dbraw/zinc/43/40/34/314434034.db2.gz JTIJPAMYXHQSLT-INIZCTEOSA-N 2 2 330.394 3.201 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635830 315028660 /nfs/dbraw/zinc/02/86/60/315028660.db2.gz IHGRQKHQVGEZCV-PBHICJAKSA-N 2 2 341.459 3.079 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549115067 315076589 /nfs/dbraw/zinc/07/65/89/315076589.db2.gz INTQJNBBZPEQDM-INIZCTEOSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549115067 315076591 /nfs/dbraw/zinc/07/65/91/315076591.db2.gz INTQJNBBZPEQDM-INIZCTEOSA-N 2 2 339.439 3.477 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000550260126 315121659 /nfs/dbraw/zinc/12/16/59/315121659.db2.gz ZLFPIFJKTOQKEA-CQSZACIVSA-N 2 2 346.862 3.118 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000550260126 315121662 /nfs/dbraw/zinc/12/16/62/315121662.db2.gz ZLFPIFJKTOQKEA-CQSZACIVSA-N 2 2 346.862 3.118 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000550860260 315136714 /nfs/dbraw/zinc/13/67/14/315136714.db2.gz HSDAJSBCMOPAFI-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000550860260 315136717 /nfs/dbraw/zinc/13/67/17/315136717.db2.gz HSDAJSBCMOPAFI-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP CCC[N@H+](C)[C@H](C[NH2+][C@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090244 315196561 /nfs/dbraw/zinc/19/65/61/315196561.db2.gz FLSOXVPMPHLOKQ-RHSMWYFYSA-N 2 2 339.911 3.179 20 0 EGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090244 315196563 /nfs/dbraw/zinc/19/65/63/315196563.db2.gz FLSOXVPMPHLOKQ-RHSMWYFYSA-N 2 2 339.911 3.179 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)c(C)c1OC ZINC000552223220 315207106 /nfs/dbraw/zinc/20/71/06/315207106.db2.gz GBJQXTQJDBUNRE-HZPDHXFCSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244994 315208460 /nfs/dbraw/zinc/20/84/60/315208460.db2.gz PTDUOEFFYQIFDD-YJBOKZPZSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244994 315208462 /nfs/dbraw/zinc/20/84/62/315208462.db2.gz PTDUOEFFYQIFDD-YJBOKZPZSA-N 2 2 334.504 3.407 20 0 EGADLP CC[C@H](C[NH2+][C@H]1CCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000554560880 315332512 /nfs/dbraw/zinc/33/25/12/315332512.db2.gz IQKAOCSRBIHCJH-UXHICEINSA-N 2 2 328.500 3.372 20 0 EGADLP CC[C@H](C[NH2+][C@H]1CCC12CCOCC2)[N@H+]1CCc2ccccc2C1 ZINC000554560880 315332514 /nfs/dbraw/zinc/33/25/14/315332514.db2.gz IQKAOCSRBIHCJH-UXHICEINSA-N 2 2 328.500 3.372 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000554724680 315345668 /nfs/dbraw/zinc/34/56/68/315345668.db2.gz NUHOGBCPAGGKKN-BDTNDASRSA-N 2 2 341.543 3.363 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)Cc3ccsc3)c2cc1C ZINC000560904500 315730593 /nfs/dbraw/zinc/73/05/93/315730593.db2.gz SJJMYONFSINKFM-NVXWUHKLSA-N 2 2 343.496 3.296 20 0 EGADLP Cc1ccc(-c2nc(C[NH2+]C3(CCO)CC[NH+](C)CC3)cs2)cc1 ZINC000563415612 316017827 /nfs/dbraw/zinc/01/78/27/316017827.db2.gz DWSYPQDLMUXSMT-UHFFFAOYSA-N 2 2 345.512 3.055 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000563453719 316024742 /nfs/dbraw/zinc/02/47/42/316024742.db2.gz RULRPJUDQCVFIR-DZGCQCFKSA-N 2 2 326.400 3.136 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829314 316213560 /nfs/dbraw/zinc/21/35/60/316213560.db2.gz SCZHHKUSBGQOOF-NEWSRXKRSA-N 2 2 343.515 3.029 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000564829314 316213562 /nfs/dbraw/zinc/21/35/62/316213562.db2.gz SCZHHKUSBGQOOF-NEWSRXKRSA-N 2 2 343.515 3.029 20 0 EGADLP C[C@@H](CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930697 316233837 /nfs/dbraw/zinc/23/38/37/316233837.db2.gz XRHHVTQAVBZEQK-KSZLIROESA-N 2 2 336.520 3.052 20 0 EGADLP C[C@@H](CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930697 316233840 /nfs/dbraw/zinc/23/38/40/316233840.db2.gz XRHHVTQAVBZEQK-KSZLIROESA-N 2 2 336.520 3.052 20 0 EGADLP C[C@@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930697 316233842 /nfs/dbraw/zinc/23/38/42/316233842.db2.gz XRHHVTQAVBZEQK-KSZLIROESA-N 2 2 336.520 3.052 20 0 EGADLP C[C@@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930697 316233846 /nfs/dbraw/zinc/23/38/46/316233846.db2.gz XRHHVTQAVBZEQK-KSZLIROESA-N 2 2 336.520 3.052 20 0 EGADLP Cc1ccc2[nH+]cc(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)n2c1 ZINC000564969581 316239409 /nfs/dbraw/zinc/23/94/09/316239409.db2.gz UAJFNQJFGXWWPA-LJQANCHMSA-N 2 2 334.467 3.397 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733448 317099783 /nfs/dbraw/zinc/09/97/83/317099783.db2.gz MPTASFKYCNHHKY-YJBOKZPZSA-N 2 2 349.438 3.291 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733448 317099786 /nfs/dbraw/zinc/09/97/86/317099786.db2.gz MPTASFKYCNHHKY-YJBOKZPZSA-N 2 2 349.438 3.291 20 0 EGADLP C[C@H](C[NH2+]C[C@H](O)CCc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000571158811 317158635 /nfs/dbraw/zinc/15/86/35/317158635.db2.gz XLXDQPLLYVUJCW-WIYYLYMNSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@H](C[NH2+]C[C@H](O)CCc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000571158811 317158639 /nfs/dbraw/zinc/15/86/39/317158639.db2.gz XLXDQPLLYVUJCW-WIYYLYMNSA-N 2 2 326.484 3.090 20 0 EGADLP CC(C)(C)c1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000571885733 317262290 /nfs/dbraw/zinc/26/22/90/317262290.db2.gz ZKWKQRXDAUZHJR-UHFFFAOYSA-N 2 2 330.516 3.311 20 0 EGADLP Cc1cccc2c1cc[nH+]c2NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000571911882 317265277 /nfs/dbraw/zinc/26/52/77/317265277.db2.gz IRZYZGUDXNBRPA-UHFFFAOYSA-N 2 2 347.466 3.302 20 0 EGADLP C[N@@H+]1CCC[C@H](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000572339679 317323459 /nfs/dbraw/zinc/32/34/59/317323459.db2.gz UREKTBMTNACANA-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCC[C@H](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000572339679 317323461 /nfs/dbraw/zinc/32/34/61/317323461.db2.gz UREKTBMTNACANA-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP COc1cccc(-c2noc([C@H](C)[NH2+]CCc3cc[nH+]cc3C)n2)c1 ZINC000573115580 317439527 /nfs/dbraw/zinc/43/95/27/317439527.db2.gz CGPIXTHJOAIFIV-AWEZNQCLSA-N 2 2 338.411 3.342 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000573910995 317541336 /nfs/dbraw/zinc/54/13/36/317541336.db2.gz XRNSJJWCTSRQOS-NDUPCHFUSA-N 2 2 332.488 3.378 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174409610 323305699 /nfs/dbraw/zinc/30/56/99/323305699.db2.gz RFCJSBYXMKRQMM-SJORKVTESA-N 2 2 338.879 3.082 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174409610 323305703 /nfs/dbraw/zinc/30/57/03/323305703.db2.gz RFCJSBYXMKRQMM-SJORKVTESA-N 2 2 338.879 3.082 20 0 EGADLP Fc1ccc(C[N@@H+]2CCCN(Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179643284 323397991 /nfs/dbraw/zinc/39/79/91/323397991.db2.gz YTTVCVONNVXRSV-UHFFFAOYSA-N 2 2 338.430 3.181 20 0 EGADLP Fc1ccc(C[N@H+]2CCCN(Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179643284 323397998 /nfs/dbraw/zinc/39/79/98/323397998.db2.gz YTTVCVONNVXRSV-UHFFFAOYSA-N 2 2 338.430 3.181 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386628478 324269261 /nfs/dbraw/zinc/26/92/61/324269261.db2.gz ZNGXYKJQVMPNSC-PMPSAXMXSA-N 2 2 336.480 3.039 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000389874839 324281323 /nfs/dbraw/zinc/28/13/23/324281323.db2.gz SKASPALZTMGIED-XIKSMUEASA-N 2 2 328.500 3.300 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000389874839 324281326 /nfs/dbraw/zinc/28/13/26/324281326.db2.gz SKASPALZTMGIED-XIKSMUEASA-N 2 2 328.500 3.300 20 0 EGADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390911084 324285316 /nfs/dbraw/zinc/28/53/16/324285316.db2.gz WYFFZJMZDGGOIS-QGZVFWFLSA-N 2 2 330.501 3.237 20 0 EGADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390911084 324285320 /nfs/dbraw/zinc/28/53/20/324285320.db2.gz WYFFZJMZDGGOIS-QGZVFWFLSA-N 2 2 330.501 3.237 20 0 EGADLP Cc1cccc(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000577183582 324758290 /nfs/dbraw/zinc/75/82/90/324758290.db2.gz JQYXSVQYXDWYPS-LJQANCHMSA-N 2 2 337.467 3.155 20 0 EGADLP COc1ccncc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753833 325014127 /nfs/dbraw/zinc/01/41/27/325014127.db2.gz HXOHHUXBHDGBOC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccncc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753833 325014130 /nfs/dbraw/zinc/01/41/30/325014130.db2.gz HXOHHUXBHDGBOC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578753833 325014132 /nfs/dbraw/zinc/01/41/32/325014132.db2.gz HXOHHUXBHDGBOC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578753833 325014135 /nfs/dbraw/zinc/01/41/35/325014135.db2.gz HXOHHUXBHDGBOC-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000578760637 325014454 /nfs/dbraw/zinc/01/44/54/325014454.db2.gz VRUWDFRCJIEDSM-GOSISDBHSA-N 2 2 334.423 3.186 20 0 EGADLP C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000578760637 325014458 /nfs/dbraw/zinc/01/44/58/325014458.db2.gz VRUWDFRCJIEDSM-GOSISDBHSA-N 2 2 334.423 3.186 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000578971696 325044001 /nfs/dbraw/zinc/04/40/01/325044001.db2.gz QHIVKUNAMBYKIH-UHFFFAOYSA-N 2 2 335.495 3.367 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(O[C@@H]2CCOC2)c1 ZINC000579225177 325079687 /nfs/dbraw/zinc/07/96/87/325079687.db2.gz SIHBRTSMZLKLAA-LSTHTHJFSA-N 2 2 338.451 3.397 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000580561582 325267613 /nfs/dbraw/zinc/26/76/13/325267613.db2.gz IWIZFJXOLPIZCO-QGZVFWFLSA-N 2 2 342.487 3.320 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646958 325278112 /nfs/dbraw/zinc/27/81/12/325278112.db2.gz SCMGXTXMGNMFGY-ROUUACIJSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646958 325278118 /nfs/dbraw/zinc/27/81/18/325278118.db2.gz SCMGXTXMGNMFGY-ROUUACIJSA-N 2 2 347.547 3.022 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1ccncc1 ZINC000581233132 325343871 /nfs/dbraw/zinc/34/38/71/325343871.db2.gz WQCJZWAHTBQLSR-ROUUACIJSA-N 2 2 338.455 3.150 20 0 EGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000581551097 325371182 /nfs/dbraw/zinc/37/11/82/325371182.db2.gz AUGRDOGIFLPELO-IRXDYDNUSA-N 2 2 327.497 3.414 20 0 EGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000581551097 325371183 /nfs/dbraw/zinc/37/11/83/325371183.db2.gz AUGRDOGIFLPELO-IRXDYDNUSA-N 2 2 327.497 3.414 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428850963 458221765 /nfs/dbraw/zinc/22/17/65/458221765.db2.gz ORPVUTSWTJZSMA-LBPRGKRZSA-N 2 2 336.423 3.213 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)C1 ZINC000428850963 458221768 /nfs/dbraw/zinc/22/17/68/458221768.db2.gz ORPVUTSWTJZSMA-LBPRGKRZSA-N 2 2 336.423 3.213 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000180716488 455233503 /nfs/dbraw/zinc/23/35/03/455233503.db2.gz JBEYWMAYBHFQRW-QYZOEREBSA-N 2 2 330.451 3.111 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000183184965 455246691 /nfs/dbraw/zinc/24/66/91/455246691.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 3 2 326.488 3.258 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000183184965 455246694 /nfs/dbraw/zinc/24/66/94/455246694.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 3 2 326.488 3.258 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184965 455246696 /nfs/dbraw/zinc/24/66/96/455246696.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 3 2 326.488 3.258 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184965 455246700 /nfs/dbraw/zinc/24/67/00/455246700.db2.gz MBNDSAQRRRFOBJ-QUCCMNQESA-N 3 2 326.488 3.258 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180812957 455249840 /nfs/dbraw/zinc/24/98/40/455249840.db2.gz PHNDBZSTFIDAIV-LJQANCHMSA-N 2 2 330.451 3.111 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000581998064 459289524 /nfs/dbraw/zinc/28/95/24/459289524.db2.gz SEIOMQARULBBIR-WOSRLPQWSA-N 2 2 332.410 3.447 20 0 EGADLP CSC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000591581279 459406539 /nfs/dbraw/zinc/40/65/39/459406539.db2.gz PLYPOBIZQAFECM-IHRRRGAJSA-N 2 2 336.398 3.399 20 0 EGADLP CC[C@@H](C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)[NH+](C)C ZINC000158074977 455266350 /nfs/dbraw/zinc/26/63/50/455266350.db2.gz FJARTVKCZGGWQQ-KRWDZBQOSA-N 2 2 326.444 3.165 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+]1CCOCC1 ZINC000180966862 455271239 /nfs/dbraw/zinc/27/12/39/455271239.db2.gz ATBKKNRAMMFMLE-INIZCTEOSA-N 2 2 330.428 3.130 20 0 EGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623453617 460557689 /nfs/dbraw/zinc/55/76/89/460557689.db2.gz XHIGOWKZOWNHPF-KBPBESRZSA-N 2 2 348.434 3.234 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000173432976 455282044 /nfs/dbraw/zinc/28/20/44/455282044.db2.gz NCZCKEABRKKIBW-KGLIPLIRSA-N 2 2 330.394 3.324 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000631827126 460575042 /nfs/dbraw/zinc/57/50/42/460575042.db2.gz GASAUUXHKAMENJ-QFBILLFUSA-N 2 2 341.455 3.314 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000631827126 460575045 /nfs/dbraw/zinc/57/50/45/460575045.db2.gz GASAUUXHKAMENJ-QFBILLFUSA-N 2 2 341.455 3.314 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245679336 455353827 /nfs/dbraw/zinc/35/38/27/455353827.db2.gz OWTFSYKTVVYMNX-AYBZRNKSSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245679336 455353830 /nfs/dbraw/zinc/35/38/30/455353830.db2.gz OWTFSYKTVVYMNX-AYBZRNKSSA-N 2 2 340.471 3.410 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000245696452 455357559 /nfs/dbraw/zinc/35/75/59/455357559.db2.gz VRBVDUUPGDBEHE-HBNTYKKESA-N 2 2 332.311 3.429 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891436 460591070 /nfs/dbraw/zinc/59/10/70/460591070.db2.gz ZXKFYOCXNYVOJS-BLLLJJGKSA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631891436 460591074 /nfs/dbraw/zinc/59/10/74/460591074.db2.gz ZXKFYOCXNYVOJS-BLLLJJGKSA-N 2 2 339.277 3.032 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634322 453899244 /nfs/dbraw/zinc/89/92/44/453899244.db2.gz VZDWXYLSDKBURL-YLJYHZDGSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634322 453899248 /nfs/dbraw/zinc/89/92/48/453899248.db2.gz VZDWXYLSDKBURL-YLJYHZDGSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634322 453899251 /nfs/dbraw/zinc/89/92/51/453899251.db2.gz VZDWXYLSDKBURL-YLJYHZDGSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634322 453899254 /nfs/dbraw/zinc/89/92/54/453899254.db2.gz VZDWXYLSDKBURL-YLJYHZDGSA-N 2 2 347.547 3.045 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000081634001 453899310 /nfs/dbraw/zinc/89/93/10/453899310.db2.gz QREGVSPENHTAHF-IBGZPJMESA-N 2 2 343.515 3.092 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000081634001 453899313 /nfs/dbraw/zinc/89/93/13/453899313.db2.gz QREGVSPENHTAHF-IBGZPJMESA-N 2 2 343.515 3.092 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000081634001 453899315 /nfs/dbraw/zinc/89/93/15/453899315.db2.gz QREGVSPENHTAHF-IBGZPJMESA-N 2 2 343.515 3.092 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000081634001 453899317 /nfs/dbraw/zinc/89/93/17/453899317.db2.gz QREGVSPENHTAHF-IBGZPJMESA-N 2 2 343.515 3.092 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174403158 455387022 /nfs/dbraw/zinc/38/70/22/455387022.db2.gz DWZHKYOBFMNETN-QGZVFWFLSA-N 2 2 338.879 3.082 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860783 453932236 /nfs/dbraw/zinc/93/22/36/453932236.db2.gz YAJLBCHOBATNFB-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860783 453932237 /nfs/dbraw/zinc/93/22/37/453932237.db2.gz YAJLBCHOBATNFB-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860783 453932239 /nfs/dbraw/zinc/93/22/39/453932239.db2.gz YAJLBCHOBATNFB-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860783 453932241 /nfs/dbraw/zinc/93/22/41/453932241.db2.gz YAJLBCHOBATNFB-ZFWWWQNUSA-N 2 2 339.430 3.098 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000077248922 454082211 /nfs/dbraw/zinc/08/22/11/454082211.db2.gz HSRBDDRWFPTDRK-KRWDZBQOSA-N 2 2 349.544 3.000 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000077248922 454082214 /nfs/dbraw/zinc/08/22/14/454082214.db2.gz HSRBDDRWFPTDRK-KRWDZBQOSA-N 2 2 349.544 3.000 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000077249208 454082439 /nfs/dbraw/zinc/08/24/39/454082439.db2.gz QNEVZXOFTFAMFK-UHFFFAOYSA-N 2 2 348.878 3.349 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000077249208 454082440 /nfs/dbraw/zinc/08/24/40/454082440.db2.gz QNEVZXOFTFAMFK-UHFFFAOYSA-N 2 2 348.878 3.349 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)nc(C)[nH+]1 ZINC000069228738 454087981 /nfs/dbraw/zinc/08/79/81/454087981.db2.gz VLXVNIHWLNETCM-UHFFFAOYSA-N 2 2 339.468 3.025 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CCCc3nc4ccccc4[nH]3)CC2)nc1 ZINC000095420994 454207928 /nfs/dbraw/zinc/20/79/28/454207928.db2.gz MMMKBJOKUXIIAS-UHFFFAOYSA-N 2 2 349.482 3.145 20 0 EGADLP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000095420523 454208159 /nfs/dbraw/zinc/20/81/59/454208159.db2.gz MMDSBZJHLQTKTM-QGZVFWFLSA-N 2 2 340.467 3.378 20 0 EGADLP COc1ccc(Cl)cc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000095421142 454208542 /nfs/dbraw/zinc/20/85/42/454208542.db2.gz KPNKGLNBZLMLHA-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977594 454246943 /nfs/dbraw/zinc/24/69/43/454246943.db2.gz PQGFRBYONUTSSS-YJBOKZPZSA-N 2 2 338.854 3.408 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]CC2=CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977594 454246947 /nfs/dbraw/zinc/24/69/47/454246947.db2.gz PQGFRBYONUTSSS-YJBOKZPZSA-N 2 2 338.854 3.408 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000090048289 454266866 /nfs/dbraw/zinc/26/68/66/454266866.db2.gz ZHSVNSMEXYMKPX-WMZOPIPTSA-N 2 2 330.472 3.133 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000090187578 454291965 /nfs/dbraw/zinc/29/19/65/454291965.db2.gz XJUGETNCRLDPGL-PXNSSMCTSA-N 2 2 328.456 3.130 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccco1 ZINC000090187578 454291970 /nfs/dbraw/zinc/29/19/70/454291970.db2.gz XJUGETNCRLDPGL-PXNSSMCTSA-N 2 2 328.456 3.130 20 0 EGADLP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090217865 454293651 /nfs/dbraw/zinc/29/36/51/454293651.db2.gz RMAQCQPRASHYMZ-ICSRJNTNSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000120516445 454313784 /nfs/dbraw/zinc/31/37/84/454313784.db2.gz DNWKFVFFXVQMAI-GXTWGEPZSA-N 2 2 328.378 3.343 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000120516445 454313791 /nfs/dbraw/zinc/31/37/91/454313791.db2.gz DNWKFVFFXVQMAI-GXTWGEPZSA-N 2 2 328.378 3.343 20 0 EGADLP COCCC[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000063312810 454406195 /nfs/dbraw/zinc/40/61/95/454406195.db2.gz RTABHYNQHKSLAD-UHFFFAOYSA-N 2 2 339.439 3.348 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000121431862 454434393 /nfs/dbraw/zinc/43/43/93/454434393.db2.gz GJHBQYDDBZZIPL-GOSISDBHSA-N 2 2 338.455 3.076 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000121431862 454434397 /nfs/dbraw/zinc/43/43/97/454434397.db2.gz GJHBQYDDBZZIPL-GOSISDBHSA-N 2 2 338.455 3.076 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143745 454462232 /nfs/dbraw/zinc/46/22/32/454462232.db2.gz KCERRWFGRPHVFM-CRAIPNDOSA-N 2 2 344.886 3.410 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143745 454462239 /nfs/dbraw/zinc/46/22/39/454462239.db2.gz KCERRWFGRPHVFM-CRAIPNDOSA-N 2 2 344.886 3.410 20 0 EGADLP CCc1nn(C)cc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000091741410 454465513 /nfs/dbraw/zinc/46/55/13/454465513.db2.gz JZOHUPVAAJPILV-UHFFFAOYSA-N 2 2 346.906 3.390 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000101586891 454475710 /nfs/dbraw/zinc/47/57/10/454475710.db2.gz GELHWZQQAOQZJN-XLIONFOSSA-N 2 2 337.467 3.440 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000101586891 454475713 /nfs/dbraw/zinc/47/57/13/454475713.db2.gz GELHWZQQAOQZJN-XLIONFOSSA-N 2 2 337.467 3.440 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043653 454508017 /nfs/dbraw/zinc/50/80/17/454508017.db2.gz PFFLJKBNIKXQCR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043653 454508022 /nfs/dbraw/zinc/50/80/22/454508022.db2.gz PFFLJKBNIKXQCR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043653 454508028 /nfs/dbraw/zinc/50/80/28/454508028.db2.gz PFFLJKBNIKXQCR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000092043653 454508032 /nfs/dbraw/zinc/50/80/32/454508032.db2.gz PFFLJKBNIKXQCR-LPHOPBHVSA-N 2 2 340.471 3.001 20 0 EGADLP COCCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066842 454513402 /nfs/dbraw/zinc/51/34/02/454513402.db2.gz YKHAZTFTIZWESP-XLIONFOSSA-N 2 2 344.499 3.161 20 0 EGADLP COCCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066842 454513406 /nfs/dbraw/zinc/51/34/06/454513406.db2.gz YKHAZTFTIZWESP-XLIONFOSSA-N 2 2 344.499 3.161 20 0 EGADLP COCCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066842 454513409 /nfs/dbraw/zinc/51/34/09/454513409.db2.gz YKHAZTFTIZWESP-XLIONFOSSA-N 2 2 344.499 3.161 20 0 EGADLP COCCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066842 454513415 /nfs/dbraw/zinc/51/34/15/454513415.db2.gz YKHAZTFTIZWESP-XLIONFOSSA-N 2 2 344.499 3.161 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072830 454516153 /nfs/dbraw/zinc/51/61/53/454516153.db2.gz BHJYVASXSNQQMK-CQSZACIVSA-N 2 2 325.391 3.319 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072830 454516157 /nfs/dbraw/zinc/51/61/57/454516157.db2.gz BHJYVASXSNQQMK-CQSZACIVSA-N 2 2 325.391 3.319 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073900 454517454 /nfs/dbraw/zinc/51/74/54/454517454.db2.gz ZVWXBIYQLXLZLX-KRWDZBQOSA-N 2 2 329.444 3.205 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073900 454517458 /nfs/dbraw/zinc/51/74/58/454517458.db2.gz ZVWXBIYQLXLZLX-KRWDZBQOSA-N 2 2 329.444 3.205 20 0 EGADLP Cc1ccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)[nH+]c1 ZINC000092372452 454557422 /nfs/dbraw/zinc/55/74/22/454557422.db2.gz ABJCDRJEVBAYNW-UHFFFAOYSA-N 2 2 330.863 3.407 20 0 EGADLP CC(C)[NH+](CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000074329655 454567230 /nfs/dbraw/zinc/56/72/30/454567230.db2.gz IADBZBWUEDPGMC-UHFFFAOYSA-N 2 2 342.487 3.170 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122853086 454574854 /nfs/dbraw/zinc/57/48/54/454574854.db2.gz MNIJSVWBLIGTNG-CRAIPNDOSA-N 2 2 340.471 3.276 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122853086 454574860 /nfs/dbraw/zinc/57/48/60/454574860.db2.gz MNIJSVWBLIGTNG-CRAIPNDOSA-N 2 2 340.471 3.276 20 0 EGADLP COc1ccc([C@H](C[NH2+]Cc2ccn(C)c2)[NH+]2CCCCC2)cc1 ZINC000122933120 454583584 /nfs/dbraw/zinc/58/35/84/454583584.db2.gz VKUISQHJFWZHHB-FQEVSTJZSA-N 2 2 327.472 3.351 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000092565286 454587038 /nfs/dbraw/zinc/58/70/38/454587038.db2.gz VBOMEBYBSUKPFB-JCYILVPMSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000092565286 454587041 /nfs/dbraw/zinc/58/70/41/454587041.db2.gz VBOMEBYBSUKPFB-JCYILVPMSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860875 454598779 /nfs/dbraw/zinc/59/87/79/454598779.db2.gz FYCGNRXGYVDTJJ-UYAOXDASSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860875 454598782 /nfs/dbraw/zinc/59/87/82/454598782.db2.gz FYCGNRXGYVDTJJ-UYAOXDASSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134860875 454598787 /nfs/dbraw/zinc/59/87/87/454598787.db2.gz FYCGNRXGYVDTJJ-UYAOXDASSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860875 454598793 /nfs/dbraw/zinc/59/87/93/454598793.db2.gz FYCGNRXGYVDTJJ-UYAOXDASSA-N 2 2 349.563 3.076 20 0 EGADLP C[N@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645136 454600105 /nfs/dbraw/zinc/60/01/05/454600105.db2.gz JBUTXVWICPTFFE-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP C[N@@H+](Cc1cc(F)cc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645136 454600109 /nfs/dbraw/zinc/60/01/09/454600109.db2.gz JBUTXVWICPTFFE-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)c1cnn(CC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000123091062 454601239 /nfs/dbraw/zinc/60/12/39/454601239.db2.gz CGZWBXLZIMTSHY-OXQOHEQNSA-N 2 2 326.488 3.391 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)c1cnn(CC)c1)[N@H+]1CCc2ccccc2C1 ZINC000123091062 454601241 /nfs/dbraw/zinc/60/12/41/454601241.db2.gz CGZWBXLZIMTSHY-OXQOHEQNSA-N 2 2 326.488 3.391 20 0 EGADLP c1coc(-c2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)no2)c1 ZINC000134878257 454601664 /nfs/dbraw/zinc/60/16/64/454601664.db2.gz YDTRWJZGDUVOJV-RHSMWYFYSA-N 2 2 327.428 3.383 20 0 EGADLP c1coc(-c2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)no2)c1 ZINC000134878257 454601669 /nfs/dbraw/zinc/60/16/69/454601669.db2.gz YDTRWJZGDUVOJV-RHSMWYFYSA-N 2 2 327.428 3.383 20 0 EGADLP c1coc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)no2)c1 ZINC000134878257 454601675 /nfs/dbraw/zinc/60/16/75/454601675.db2.gz YDTRWJZGDUVOJV-RHSMWYFYSA-N 2 2 327.428 3.383 20 0 EGADLP c1coc(-c2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)no2)c1 ZINC000134878257 454601683 /nfs/dbraw/zinc/60/16/83/454601683.db2.gz YDTRWJZGDUVOJV-RHSMWYFYSA-N 2 2 327.428 3.383 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134938725 454613755 /nfs/dbraw/zinc/61/37/55/454613755.db2.gz KJEWKMRAWGQLGV-IEBWSBKVSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134938725 454613760 /nfs/dbraw/zinc/61/37/60/454613760.db2.gz KJEWKMRAWGQLGV-IEBWSBKVSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134938725 454613763 /nfs/dbraw/zinc/61/37/63/454613763.db2.gz KJEWKMRAWGQLGV-IEBWSBKVSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134938725 454613769 /nfs/dbraw/zinc/61/37/69/454613769.db2.gz KJEWKMRAWGQLGV-IEBWSBKVSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCc4sccc4C3)c2cc1C ZINC000051283017 454616845 /nfs/dbraw/zinc/61/68/45/454616845.db2.gz LFEIVGCTDSGVRK-INIZCTEOSA-N 2 2 341.480 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCc4sccc4C3)c2cc1C ZINC000051283017 454616849 /nfs/dbraw/zinc/61/68/49/454616849.db2.gz LFEIVGCTDSGVRK-INIZCTEOSA-N 2 2 341.480 3.134 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000135167397 454641335 /nfs/dbraw/zinc/64/13/35/454641335.db2.gz GYFVUHXTOMFPLV-IBGZPJMESA-N 2 2 340.423 3.300 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000135167397 454641338 /nfs/dbraw/zinc/64/13/38/454641338.db2.gz GYFVUHXTOMFPLV-IBGZPJMESA-N 2 2 340.423 3.300 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000066155811 454660546 /nfs/dbraw/zinc/66/05/46/454660546.db2.gz OTLDEGHUEYOAHD-MRXNPFEDSA-N 2 2 338.927 3.326 20 0 EGADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000066155811 454660550 /nfs/dbraw/zinc/66/05/50/454660550.db2.gz OTLDEGHUEYOAHD-MRXNPFEDSA-N 2 2 338.927 3.326 20 0 EGADLP FC(F)(F)c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000635007178 460650431 /nfs/dbraw/zinc/65/04/31/460650431.db2.gz FGNDVTIRAFWSIV-LSDHHAIUSA-N 2 2 348.796 3.215 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000152642744 454705183 /nfs/dbraw/zinc/70/51/83/454705183.db2.gz ZFSUMQSZIQDIJL-UHFFFAOYSA-N 2 2 341.902 3.373 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563828 454720711 /nfs/dbraw/zinc/72/07/11/454720711.db2.gz YOPVQBTYGSBDTG-LJQANCHMSA-N 2 2 328.504 3.132 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563828 454720713 /nfs/dbraw/zinc/72/07/13/454720713.db2.gz YOPVQBTYGSBDTG-LJQANCHMSA-N 2 2 328.504 3.132 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124340653 454720848 /nfs/dbraw/zinc/72/08/48/454720848.db2.gz KQLKJUSXYGZENT-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124340653 454720853 /nfs/dbraw/zinc/72/08/53/454720853.db2.gz KQLKJUSXYGZENT-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP Clc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000137068648 454768179 /nfs/dbraw/zinc/76/81/79/454768179.db2.gz MPTDNXDEBCWSID-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCCO2 ZINC000153298594 454779654 /nfs/dbraw/zinc/77/96/54/454779654.db2.gz KJHXBVYBZBMKME-LPHOPBHVSA-N 2 2 332.488 3.075 20 0 EGADLP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000153546902 454804987 /nfs/dbraw/zinc/80/49/87/454804987.db2.gz PRMGNJWUTBWHDR-MRXNPFEDSA-N 2 2 325.412 3.040 20 0 EGADLP C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000176992784 454808734 /nfs/dbraw/zinc/80/87/34/454808734.db2.gz MZVDCUGNUXQKBH-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000176992784 454808737 /nfs/dbraw/zinc/80/87/37/454808737.db2.gz MZVDCUGNUXQKBH-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000162977475 454813932 /nfs/dbraw/zinc/81/39/32/454813932.db2.gz LRCFIJVUDYLQQC-JXFKEZNVSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000162977475 454813935 /nfs/dbraw/zinc/81/39/35/454813935.db2.gz LRCFIJVUDYLQQC-JXFKEZNVSA-N 2 2 327.447 3.263 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036577 454815372 /nfs/dbraw/zinc/81/53/72/454815372.db2.gz YQRGMEMJQVDGCM-QUCCMNQESA-N 2 2 337.467 3.194 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036577 454815379 /nfs/dbraw/zinc/81/53/79/454815379.db2.gz YQRGMEMJQVDGCM-QUCCMNQESA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036577 454815381 /nfs/dbraw/zinc/81/53/81/454815381.db2.gz YQRGMEMJQVDGCM-QUCCMNQESA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036577 454815386 /nfs/dbraw/zinc/81/53/86/454815386.db2.gz YQRGMEMJQVDGCM-QUCCMNQESA-N 2 2 337.467 3.194 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000153748217 454829001 /nfs/dbraw/zinc/82/90/01/454829001.db2.gz CHIVEVFLASXBDM-GFCCVEGCSA-N 2 2 347.272 3.207 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000153748217 454829004 /nfs/dbraw/zinc/82/90/04/454829004.db2.gz CHIVEVFLASXBDM-GFCCVEGCSA-N 2 2 347.272 3.207 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CCCO2 ZINC000163789349 454864810 /nfs/dbraw/zinc/86/48/10/454864810.db2.gz OTWORQURQIXYQW-KRWDZBQOSA-N 2 2 327.428 3.396 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@@H+]1C ZINC000164322968 454879775 /nfs/dbraw/zinc/87/97/75/454879775.db2.gz GFQZEYBPIYHNRE-PKOBYXMFSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@H+]1C ZINC000164322968 454879779 /nfs/dbraw/zinc/87/97/79/454879779.db2.gz GFQZEYBPIYHNRE-PKOBYXMFSA-N 2 2 326.488 3.088 20 0 EGADLP Clc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000150765925 454889334 /nfs/dbraw/zinc/88/93/34/454889334.db2.gz SDSXIAMVCYDEQQ-CQSZACIVSA-N 2 2 336.863 3.029 20 0 EGADLP Clc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000150765925 454889340 /nfs/dbraw/zinc/88/93/40/454889340.db2.gz SDSXIAMVCYDEQQ-CQSZACIVSA-N 2 2 336.863 3.029 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150773617 454889653 /nfs/dbraw/zinc/88/96/53/454889653.db2.gz IBNIMTDPQYOBCM-HZPDHXFCSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150773617 454889655 /nfs/dbraw/zinc/88/96/55/454889655.db2.gz IBNIMTDPQYOBCM-HZPDHXFCSA-N 2 2 347.528 3.153 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCCNc1cccc[nH+]1)O[C@H](C)C2 ZINC000112675407 454895372 /nfs/dbraw/zinc/89/53/72/454895372.db2.gz XBQMDTORMOLIBA-OAHLLOKOSA-N 2 2 341.455 3.396 20 0 EGADLP COc1ccccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000154576839 454909271 /nfs/dbraw/zinc/90/92/71/454909271.db2.gz ZJCXEOVLTJJFOR-PXNSSMCTSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ccccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000154576839 454909274 /nfs/dbraw/zinc/90/92/74/454909274.db2.gz ZJCXEOVLTJJFOR-PXNSSMCTSA-N 2 2 339.483 3.133 20 0 EGADLP CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000150902989 454910558 /nfs/dbraw/zinc/91/05/58/454910558.db2.gz QHJGLRKBJMLMMD-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@@H+]1C1CC1 ZINC000166316278 454911044 /nfs/dbraw/zinc/91/10/44/454911044.db2.gz CGALNZVALMOMKP-SDMXJPDVSA-N 2 2 339.483 3.034 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[N@H+]1C1CC1 ZINC000166316278 454911047 /nfs/dbraw/zinc/91/10/47/454911047.db2.gz CGALNZVALMOMKP-SDMXJPDVSA-N 2 2 339.483 3.034 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000154616391 454913156 /nfs/dbraw/zinc/91/31/56/454913156.db2.gz PZYNBKSOJPWIML-UKRRQHHQSA-N 2 2 339.277 3.347 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000154616391 454913158 /nfs/dbraw/zinc/91/31/58/454913158.db2.gz PZYNBKSOJPWIML-UKRRQHHQSA-N 2 2 339.277 3.347 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550466 454913359 /nfs/dbraw/zinc/91/33/59/454913359.db2.gz AKXLNEPSSXBWSX-AAEUAGOBSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550466 454913362 /nfs/dbraw/zinc/91/33/62/454913362.db2.gz AKXLNEPSSXBWSX-AAEUAGOBSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969142 454923813 /nfs/dbraw/zinc/92/38/13/454923813.db2.gz OCIXGJFOVCRRSQ-OPYAIIAOSA-N 3 2 329.532 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969142 454923817 /nfs/dbraw/zinc/92/38/17/454923817.db2.gz OCIXGJFOVCRRSQ-OPYAIIAOSA-N 3 2 329.532 3.012 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198290 454946900 /nfs/dbraw/zinc/94/69/00/454946900.db2.gz KEPDFDNIQOZTGT-OAHLLOKOSA-N 2 2 332.879 3.218 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198290 454946904 /nfs/dbraw/zinc/94/69/04/454946904.db2.gz KEPDFDNIQOZTGT-OAHLLOKOSA-N 2 2 332.879 3.218 20 0 EGADLP CCOc1ncccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000151185993 454949392 /nfs/dbraw/zinc/94/93/92/454949392.db2.gz JUWZUUWRWDJBRR-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000114319479 454950415 /nfs/dbraw/zinc/95/04/15/454950415.db2.gz ARAIHAINUZGXLX-ZDUSSCGKSA-N 2 2 345.830 3.209 20 0 EGADLP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000114319479 454950419 /nfs/dbraw/zinc/95/04/19/454950419.db2.gz ARAIHAINUZGXLX-ZDUSSCGKSA-N 2 2 345.830 3.209 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478514 454956508 /nfs/dbraw/zinc/95/65/08/454956508.db2.gz HPINLKIXEAHAPQ-DLBZAZTESA-N 2 2 331.504 3.329 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478514 454956510 /nfs/dbraw/zinc/95/65/10/454956510.db2.gz HPINLKIXEAHAPQ-DLBZAZTESA-N 2 2 331.504 3.329 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)n2)ccc1F ZINC000114479945 454956804 /nfs/dbraw/zinc/95/68/04/454956804.db2.gz IXXUEWCIAJSMJI-UONOGXRCSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)n2)ccc1F ZINC000114479945 454956807 /nfs/dbraw/zinc/95/68/07/454956807.db2.gz IXXUEWCIAJSMJI-UONOGXRCSA-N 2 2 332.423 3.129 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178803733 454979353 /nfs/dbraw/zinc/97/93/53/454979353.db2.gz RDJIECCJJWODKD-DEOSSOPVSA-N 2 2 339.464 3.242 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178803733 454979355 /nfs/dbraw/zinc/97/93/55/454979355.db2.gz RDJIECCJJWODKD-DEOSSOPVSA-N 2 2 339.464 3.242 20 0 EGADLP CCCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[NH2+]C1 ZINC000178886258 454987972 /nfs/dbraw/zinc/98/79/72/454987972.db2.gz CVOVBGCZGNWXCG-MRXNPFEDSA-N 2 2 325.412 3.088 20 0 EGADLP CCOCc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000151649480 455012641 /nfs/dbraw/zinc/01/26/41/455012641.db2.gz DYTSATYGLKCMFN-UHFFFAOYSA-N 2 2 339.483 3.372 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cc2)c[nH+]1 ZINC000152219707 455088201 /nfs/dbraw/zinc/08/82/01/455088201.db2.gz HQBNQNXKZSZIOW-QGZVFWFLSA-N 2 2 348.454 3.247 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cc2)c[nH+]1 ZINC000152219707 455088204 /nfs/dbraw/zinc/08/82/04/455088204.db2.gz HQBNQNXKZSZIOW-QGZVFWFLSA-N 2 2 348.454 3.247 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)[nH+]1 ZINC000180015182 455116413 /nfs/dbraw/zinc/11/64/13/455116413.db2.gz WRPMCHVGXRGYDR-KRWDZBQOSA-N 2 2 335.407 3.443 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)[nH+]1 ZINC000180015182 455116417 /nfs/dbraw/zinc/11/64/17/455116417.db2.gz WRPMCHVGXRGYDR-KRWDZBQOSA-N 2 2 335.407 3.443 20 0 EGADLP C[C@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000180174653 455144332 /nfs/dbraw/zinc/14/43/32/455144332.db2.gz HBHVTWNAZXZPBC-UZLBHIALSA-N 2 2 344.478 3.360 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000157412283 455192211 /nfs/dbraw/zinc/19/22/11/455192211.db2.gz DAPVHMRMSACNFP-GOSISDBHSA-N 2 2 335.536 3.118 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000157412283 455192217 /nfs/dbraw/zinc/19/22/17/455192217.db2.gz DAPVHMRMSACNFP-GOSISDBHSA-N 2 2 335.536 3.118 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158191947 455278543 /nfs/dbraw/zinc/27/85/43/455278543.db2.gz QFWNDZVXRRUNDP-ZFWWWQNUSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000158191947 455278545 /nfs/dbraw/zinc/27/85/45/455278545.db2.gz QFWNDZVXRRUNDP-ZFWWWQNUSA-N 2 2 347.894 3.222 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445106 455303214 /nfs/dbraw/zinc/30/32/14/455303214.db2.gz YPECLSXJMDZULE-QRVBRYPASA-N 2 2 345.531 3.224 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445106 455303219 /nfs/dbraw/zinc/30/32/19/455303219.db2.gz YPECLSXJMDZULE-QRVBRYPASA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445106 455303222 /nfs/dbraw/zinc/30/32/22/455303222.db2.gz YPECLSXJMDZULE-QRVBRYPASA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445106 455303224 /nfs/dbraw/zinc/30/32/24/455303224.db2.gz YPECLSXJMDZULE-QRVBRYPASA-N 2 2 345.531 3.224 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500101 455315726 /nfs/dbraw/zinc/31/57/26/455315726.db2.gz ZMZRHSKDTLHVOS-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500101 455315731 /nfs/dbraw/zinc/31/57/31/455315731.db2.gz ZMZRHSKDTLHVOS-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500101 455315736 /nfs/dbraw/zinc/31/57/36/455315736.db2.gz ZMZRHSKDTLHVOS-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500101 455315742 /nfs/dbraw/zinc/31/57/42/455315742.db2.gz ZMZRHSKDTLHVOS-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120417 455430702 /nfs/dbraw/zinc/43/07/02/455430702.db2.gz CXRIEDNYRCLSLK-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120417 455430706 /nfs/dbraw/zinc/43/07/06/455430706.db2.gz CXRIEDNYRCLSLK-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120417 455430712 /nfs/dbraw/zinc/43/07/12/455430712.db2.gz CXRIEDNYRCLSLK-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120417 455430715 /nfs/dbraw/zinc/43/07/15/455430715.db2.gz CXRIEDNYRCLSLK-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289962 455464988 /nfs/dbraw/zinc/46/49/88/455464988.db2.gz XRYIHIUPTJLBJY-QFBILLFUSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289962 455464991 /nfs/dbraw/zinc/46/49/91/455464991.db2.gz XRYIHIUPTJLBJY-QFBILLFUSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289962 455464997 /nfs/dbraw/zinc/46/49/97/455464997.db2.gz XRYIHIUPTJLBJY-QFBILLFUSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289962 455465003 /nfs/dbraw/zinc/46/50/03/455465003.db2.gz XRYIHIUPTJLBJY-QFBILLFUSA-N 2 2 347.503 3.076 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000246293686 455466606 /nfs/dbraw/zinc/46/66/06/455466606.db2.gz XYRVVGOMFUTVAP-GVDBMIGSSA-N 2 2 348.491 3.041 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921579 455475818 /nfs/dbraw/zinc/47/58/18/455475818.db2.gz MFJYCUDXQGLNKP-QWHCGFSZSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921579 455475823 /nfs/dbraw/zinc/47/58/23/455475823.db2.gz MFJYCUDXQGLNKP-QWHCGFSZSA-N 2 2 332.835 3.270 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266967314 455484772 /nfs/dbraw/zinc/48/47/72/455484772.db2.gz YTWHELGSHBJBJT-INIZCTEOSA-N 2 2 326.444 3.153 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266967314 455484773 /nfs/dbraw/zinc/48/47/73/455484773.db2.gz YTWHELGSHBJBJT-INIZCTEOSA-N 2 2 326.444 3.153 20 0 EGADLP c1ccc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCOCC2)cc1 ZINC000267163081 455509293 /nfs/dbraw/zinc/50/92/93/455509293.db2.gz AKWMEJQPWUYDER-HXUWFJFHSA-N 2 2 334.423 3.115 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000185201252 455520754 /nfs/dbraw/zinc/52/07/54/455520754.db2.gz MPUFPDZKQQCZEL-RBUKOAKNSA-N 2 2 331.504 3.228 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246740710 455520999 /nfs/dbraw/zinc/52/09/99/455520999.db2.gz WTPFOCPXBQULHO-IEBWSBKVSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246740710 455521005 /nfs/dbraw/zinc/52/10/05/455521005.db2.gz WTPFOCPXBQULHO-IEBWSBKVSA-N 2 2 335.536 3.116 20 0 EGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccco1 ZINC000192290115 455587879 /nfs/dbraw/zinc/58/78/79/455587879.db2.gz KNPGMTWZONMZSU-OAHLLOKOSA-N 2 2 329.448 3.165 20 0 EGADLP COCCOc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000185684665 455596778 /nfs/dbraw/zinc/59/67/78/455596778.db2.gz YUJIWLSOHXCVLR-LAUBAEHRSA-N 2 2 342.483 3.493 20 0 EGADLP c1cc2c(s1)C[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000283875211 455606942 /nfs/dbraw/zinc/60/69/42/455606942.db2.gz AKOQZXYWTQOTKH-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)C[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000283875211 455606945 /nfs/dbraw/zinc/60/69/45/455606945.db2.gz AKOQZXYWTQOTKH-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)C[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)CC2 ZINC000283875211 455606946 /nfs/dbraw/zinc/60/69/46/455606946.db2.gz AKOQZXYWTQOTKH-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)C[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)CC2 ZINC000283875211 455606948 /nfs/dbraw/zinc/60/69/48/455606948.db2.gz AKOQZXYWTQOTKH-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000192438403 455616177 /nfs/dbraw/zinc/61/61/77/455616177.db2.gz OMLRQKXQLLAARY-ACBHZAAOSA-N 2 2 330.472 3.145 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000247541491 455620872 /nfs/dbraw/zinc/62/08/72/455620872.db2.gz PDSYFCBBGZERLZ-MSOLQXFVSA-N 2 2 337.552 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000247541491 455620878 /nfs/dbraw/zinc/62/08/78/455620878.db2.gz PDSYFCBBGZERLZ-MSOLQXFVSA-N 2 2 337.552 3.220 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247645753 455633091 /nfs/dbraw/zinc/63/30/91/455633091.db2.gz UJWNOVHIOIBKJC-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247645753 455633095 /nfs/dbraw/zinc/63/30/95/455633095.db2.gz UJWNOVHIOIBKJC-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000247659869 455635288 /nfs/dbraw/zinc/63/52/88/455635288.db2.gz XLBZMWVRCNRPEW-WBMJQRKESA-N 2 2 346.500 3.391 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000247659869 455635296 /nfs/dbraw/zinc/63/52/96/455635296.db2.gz XLBZMWVRCNRPEW-WBMJQRKESA-N 2 2 346.500 3.391 20 0 EGADLP COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000271460586 455644839 /nfs/dbraw/zinc/64/48/39/455644839.db2.gz GDBBKKLHDNURIG-IFXJQAMLSA-N 2 2 325.412 3.209 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248067272 455677251 /nfs/dbraw/zinc/67/72/51/455677251.db2.gz MGVJZLNCTPJESI-SIFCLUCFSA-N 2 2 327.472 3.333 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248067272 455677255 /nfs/dbraw/zinc/67/72/55/455677255.db2.gz MGVJZLNCTPJESI-SIFCLUCFSA-N 2 2 327.472 3.333 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CCC(C)(C)O)cc1 ZINC000271618300 455701855 /nfs/dbraw/zinc/70/18/55/455701855.db2.gz DJNKOESFPZCCFI-UHFFFAOYSA-N 2 2 345.487 3.335 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CCC(C)(C)O)cc1 ZINC000271618300 455701856 /nfs/dbraw/zinc/70/18/56/455701856.db2.gz DJNKOESFPZCCFI-UHFFFAOYSA-N 2 2 345.487 3.335 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758687 455713195 /nfs/dbraw/zinc/71/31/95/455713195.db2.gz GDXFICYZZYIBGF-TYILLQQXSA-N 2 2 342.487 3.104 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758687 455713199 /nfs/dbraw/zinc/71/31/99/455713199.db2.gz GDXFICYZZYIBGF-TYILLQQXSA-N 2 2 342.487 3.104 20 0 EGADLP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268885400 455718544 /nfs/dbraw/zinc/71/85/44/455718544.db2.gz BNOJNFDVGOMRDC-HNNXBMFYSA-N 2 2 342.443 3.017 20 0 EGADLP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000268885400 455718546 /nfs/dbraw/zinc/71/85/46/455718546.db2.gz BNOJNFDVGOMRDC-HNNXBMFYSA-N 2 2 342.443 3.017 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268912200 455728449 /nfs/dbraw/zinc/72/84/49/455728449.db2.gz UIAYLDPZWIYULG-LJQANCHMSA-N 2 2 344.499 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268942349 455738073 /nfs/dbraw/zinc/73/80/73/455738073.db2.gz SXOHEXJOWFTDIQ-UQNRQAKVSA-N 2 2 336.545 3.176 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268942349 455738077 /nfs/dbraw/zinc/73/80/77/455738077.db2.gz SXOHEXJOWFTDIQ-UQNRQAKVSA-N 2 2 336.545 3.176 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000284839873 455749938 /nfs/dbraw/zinc/74/99/38/455749938.db2.gz BYTIUYZIWIYJMJ-RBUKOAKNSA-N 2 2 344.499 3.218 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000284839873 455749942 /nfs/dbraw/zinc/74/99/42/455749942.db2.gz BYTIUYZIWIYJMJ-RBUKOAKNSA-N 2 2 344.499 3.218 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000268993598 455756826 /nfs/dbraw/zinc/75/68/26/455756826.db2.gz NAOYRNMXZAWKSD-ILWGZMRPSA-N 2 2 336.479 3.147 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000268993598 455756830 /nfs/dbraw/zinc/75/68/30/455756830.db2.gz NAOYRNMXZAWKSD-ILWGZMRPSA-N 2 2 336.479 3.147 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802759 455829995 /nfs/dbraw/zinc/82/99/95/455829995.db2.gz USWHTCYDTKUDKI-SUMWQHHRSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252802759 455829998 /nfs/dbraw/zinc/82/99/98/455829998.db2.gz USWHTCYDTKUDKI-SUMWQHHRSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252802759 455830004 /nfs/dbraw/zinc/83/00/04/455830004.db2.gz USWHTCYDTKUDKI-SUMWQHHRSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252802759 455830007 /nfs/dbraw/zinc/83/00/07/455830007.db2.gz USWHTCYDTKUDKI-SUMWQHHRSA-N 2 2 336.911 3.085 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ncc(Br)cc1F ZINC000186904027 455849496 /nfs/dbraw/zinc/84/94/96/455849496.db2.gz SENPUQVYRYGCID-SNVBAGLBSA-N 2 2 332.261 3.222 20 0 EGADLP CC(C)([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000285560337 455870275 /nfs/dbraw/zinc/87/02/75/455870275.db2.gz IYEUVFCFDAGBSX-UHFFFAOYSA-N 2 2 344.528 3.180 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209587 455878385 /nfs/dbraw/zinc/87/83/85/455878385.db2.gz PYTVYUIQSNHJOH-IEBWSBKVSA-N 3 2 334.467 3.335 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209587 455878388 /nfs/dbraw/zinc/87/83/88/455878388.db2.gz PYTVYUIQSNHJOH-IEBWSBKVSA-N 3 2 334.467 3.335 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000620595162 460698956 /nfs/dbraw/zinc/69/89/56/460698956.db2.gz JGJNCPAUECLIHC-HNNXBMFYSA-N 2 2 328.460 3.143 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000620595162 460698958 /nfs/dbraw/zinc/69/89/58/460698958.db2.gz JGJNCPAUECLIHC-HNNXBMFYSA-N 2 2 328.460 3.143 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[N@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000285705749 455900718 /nfs/dbraw/zinc/90/07/18/455900718.db2.gz PHDNQMNMJURAIP-CQSZACIVSA-N 2 2 334.416 3.174 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[N@@H+](C)CCC[NH+](C)Cc2ccco2)o1 ZINC000285705749 455900723 /nfs/dbraw/zinc/90/07/23/455900723.db2.gz PHDNQMNMJURAIP-CQSZACIVSA-N 2 2 334.416 3.174 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[NH+](C)CCC[N@H+](C)Cc2ccco2)o1 ZINC000285705749 455900729 /nfs/dbraw/zinc/90/07/29/455900729.db2.gz PHDNQMNMJURAIP-CQSZACIVSA-N 2 2 334.416 3.174 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[NH+](C)CCC[N@@H+](C)Cc2ccco2)o1 ZINC000285705749 455900732 /nfs/dbraw/zinc/90/07/32/455900732.db2.gz PHDNQMNMJURAIP-CQSZACIVSA-N 2 2 334.416 3.174 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@@H+]1C ZINC000285745371 455907413 /nfs/dbraw/zinc/90/74/13/455907413.db2.gz RQABRKSTHDHZFZ-MWLCHTKSSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(F)cc2Br)CC[N@H+]1C ZINC000285745371 455907418 /nfs/dbraw/zinc/90/74/18/455907418.db2.gz RQABRKSTHDHZFZ-MWLCHTKSSA-N 2 2 333.220 3.300 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)ccc3Cl)C[C@H]12 ZINC000261579729 455908815 /nfs/dbraw/zinc/90/88/15/455908815.db2.gz PRTAEJFLDLOZPA-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3Cl)C[C@H]12 ZINC000261579729 455908819 /nfs/dbraw/zinc/90/88/19/455908819.db2.gz PRTAEJFLDLOZPA-DUFXMDAXSA-N 2 2 329.669 3.272 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000280193669 455913120 /nfs/dbraw/zinc/91/31/20/455913120.db2.gz HJFAFJVVQDJCIC-JTOWHCCKSA-N 2 2 332.488 3.268 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000280193669 455913123 /nfs/dbraw/zinc/91/31/23/455913123.db2.gz HJFAFJVVQDJCIC-JTOWHCCKSA-N 2 2 332.488 3.268 20 0 EGADLP CC(C)n1nccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280198307 455914255 /nfs/dbraw/zinc/91/42/55/455914255.db2.gz IJXVUIPATPVAPV-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1nccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280198307 455914260 /nfs/dbraw/zinc/91/42/60/455914260.db2.gz IJXVUIPATPVAPV-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280198307 455914264 /nfs/dbraw/zinc/91/42/64/455914264.db2.gz IJXVUIPATPVAPV-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280198307 455914268 /nfs/dbraw/zinc/91/42/68/455914268.db2.gz IJXVUIPATPVAPV-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261639268 455919196 /nfs/dbraw/zinc/91/91/96/455919196.db2.gz GDQSRAIPTDHTDM-AWEZNQCLSA-N 2 2 329.307 3.342 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261639268 455919197 /nfs/dbraw/zinc/91/91/97/455919197.db2.gz GDQSRAIPTDHTDM-AWEZNQCLSA-N 2 2 329.307 3.342 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261797400 455949727 /nfs/dbraw/zinc/94/97/27/455949727.db2.gz YJPOAMLCEPLXMQ-JSGCOSHPSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261797400 455949733 /nfs/dbraw/zinc/94/97/33/455949733.db2.gz YJPOAMLCEPLXMQ-JSGCOSHPSA-N 2 2 346.272 3.039 20 0 EGADLP CO[C@@H](C)c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261883453 455965120 /nfs/dbraw/zinc/96/51/20/455965120.db2.gz YWHHOVPWWYYJMW-LXZKKBNFSA-N 2 2 331.485 3.025 20 0 EGADLP CO[C@@H](C)c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261883453 455965122 /nfs/dbraw/zinc/96/51/22/455965122.db2.gz YWHHOVPWWYYJMW-LXZKKBNFSA-N 2 2 331.485 3.025 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990907 455977191 /nfs/dbraw/zinc/97/71/91/455977191.db2.gz WXZLYHMYSXVKAA-PMACEKPBSA-N 2 2 338.536 3.062 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990907 455977198 /nfs/dbraw/zinc/97/71/98/455977198.db2.gz WXZLYHMYSXVKAA-PMACEKPBSA-N 2 2 338.536 3.062 20 0 EGADLP OC1CC[NH+](Cc2ccccc2CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000270536843 455977658 /nfs/dbraw/zinc/97/76/58/455977658.db2.gz ANRDAOJRKRYWHR-UHFFFAOYSA-N 2 2 336.439 3.132 20 0 EGADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261954084 455977669 /nfs/dbraw/zinc/97/76/69/455977669.db2.gz OKIBWGYEIXRGOS-GOSISDBHSA-N 2 2 336.483 3.004 20 0 EGADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261954084 455977671 /nfs/dbraw/zinc/97/76/71/455977671.db2.gz OKIBWGYEIXRGOS-GOSISDBHSA-N 2 2 336.483 3.004 20 0 EGADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261954084 455977672 /nfs/dbraw/zinc/97/76/72/455977672.db2.gz OKIBWGYEIXRGOS-GOSISDBHSA-N 2 2 336.483 3.004 20 0 EGADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261954084 455977675 /nfs/dbraw/zinc/97/76/75/455977675.db2.gz OKIBWGYEIXRGOS-GOSISDBHSA-N 2 2 336.483 3.004 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262057703 455990571 /nfs/dbraw/zinc/99/05/71/455990571.db2.gz QTDDXIAOKCJKSR-KSSFIOAISA-N 2 2 342.487 3.093 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262057703 455990577 /nfs/dbraw/zinc/99/05/77/455990577.db2.gz QTDDXIAOKCJKSR-KSSFIOAISA-N 2 2 342.487 3.093 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000204037254 456016563 /nfs/dbraw/zinc/01/65/63/456016563.db2.gz HTVPOPMIKIXFTF-UHFFFAOYSA-N 2 2 339.439 3.101 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000204037254 456016567 /nfs/dbraw/zinc/01/65/67/456016567.db2.gz HTVPOPMIKIXFTF-UHFFFAOYSA-N 2 2 339.439 3.101 20 0 EGADLP CN(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272654089 456027469 /nfs/dbraw/zinc/02/74/69/456027469.db2.gz FTBMOBSEERRGDO-UHFFFAOYSA-N 2 2 329.410 3.129 20 0 EGADLP CCOCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000272685265 456039103 /nfs/dbraw/zinc/03/91/03/456039103.db2.gz SQYHJVFWXXFHLU-UHFFFAOYSA-N 2 2 331.460 3.211 20 0 EGADLP CCOCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000272685265 456039109 /nfs/dbraw/zinc/03/91/09/456039109.db2.gz SQYHJVFWXXFHLU-UHFFFAOYSA-N 2 2 331.460 3.211 20 0 EGADLP Cc1ccc(OCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272765196 456064381 /nfs/dbraw/zinc/06/43/81/456064381.db2.gz WJIAKJSVJFKFAE-UHFFFAOYSA-N 2 2 330.394 3.380 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000271106648 456127584 /nfs/dbraw/zinc/12/75/84/456127584.db2.gz FCHMPZGECZSQJH-BEFAXECRSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000271106648 456127591 /nfs/dbraw/zinc/12/75/91/456127591.db2.gz FCHMPZGECZSQJH-BEFAXECRSA-N 2 2 338.455 3.422 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000333008412 456147269 /nfs/dbraw/zinc/14/72/69/456147269.db2.gz SSNCSNSITJXELC-DLBZAZTESA-N 2 2 347.507 3.014 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)nn1 ZINC000289881241 456166813 /nfs/dbraw/zinc/16/68/13/456166813.db2.gz XDRCRYPLVQFPBD-UHFFFAOYSA-N 2 2 339.487 3.072 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000333199871 456177657 /nfs/dbraw/zinc/17/76/57/456177657.db2.gz XKHKOFNRHCQYDF-GDBMZVCRSA-N 2 2 345.491 3.031 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)n1-c1ccccc1 ZINC000289934809 456186548 /nfs/dbraw/zinc/18/65/48/456186548.db2.gz TZWIGMGROGVIBK-VXKWHMMOSA-N 2 2 347.462 3.437 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000188988683 456191739 /nfs/dbraw/zinc/19/17/39/456191739.db2.gz BLAUMPRBHVNATO-YUXAGFNASA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000188988683 456191743 /nfs/dbraw/zinc/19/17/43/456191743.db2.gz BLAUMPRBHVNATO-YUXAGFNASA-N 2 2 338.495 3.324 20 0 EGADLP Cn1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C(C)(C)C)n1 ZINC000271295006 456209305 /nfs/dbraw/zinc/20/93/05/456209305.db2.gz SNPMEGXZDWKREM-UHFFFAOYSA-N 2 2 337.471 3.252 20 0 EGADLP C(=C/c1ccccc1)\C[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301803643 456219526 /nfs/dbraw/zinc/21/95/26/456219526.db2.gz ATZNOLODUVPONK-QPJJXVBHSA-N 2 2 349.482 3.134 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000290193426 456263955 /nfs/dbraw/zinc/26/39/55/456263955.db2.gz CIFIXFYJQOSSHA-KRWDZBQOSA-N 2 2 343.858 3.371 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)CC1 ZINC000302003109 456267735 /nfs/dbraw/zinc/26/77/35/456267735.db2.gz YBUFDCYAZJAZPB-SFHVURJKSA-N 2 2 343.519 3.247 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)CC1 ZINC000302003109 456267738 /nfs/dbraw/zinc/26/77/38/456267738.db2.gz YBUFDCYAZJAZPB-SFHVURJKSA-N 2 2 343.519 3.247 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000297655177 456271735 /nfs/dbraw/zinc/27/17/35/456271735.db2.gz JFDSNYDUPRXBCE-QZTJIDSGSA-N 2 2 349.950 3.373 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(Br)c2)s1 ZINC000352770395 456292238 /nfs/dbraw/zinc/29/22/38/456292238.db2.gz KHLVQQRWMAFDBC-UHFFFAOYSA-N 2 2 340.290 3.257 20 0 EGADLP CC(C)n1cncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336788881 456307997 /nfs/dbraw/zinc/30/79/97/456307997.db2.gz HTKFEKPITRQNNH-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336788881 456308002 /nfs/dbraw/zinc/30/80/02/456308002.db2.gz HTKFEKPITRQNNH-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336788881 456308008 /nfs/dbraw/zinc/30/80/08/456308008.db2.gz HTKFEKPITRQNNH-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336788881 456308018 /nfs/dbraw/zinc/30/80/18/456308018.db2.gz HTKFEKPITRQNNH-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215891 456320684 /nfs/dbraw/zinc/32/06/84/456320684.db2.gz KYXGYJCWKRIKKF-MOPGFXCFSA-N 2 2 341.430 3.189 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215891 456320688 /nfs/dbraw/zinc/32/06/88/456320688.db2.gz KYXGYJCWKRIKKF-MOPGFXCFSA-N 2 2 341.430 3.189 20 0 EGADLP C[C@H](COc1ccc(F)cc1F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352812723 456330480 /nfs/dbraw/zinc/33/04/80/456330480.db2.gz HHJDDLZFSVAYSI-LLVKDONJSA-N 2 2 341.427 3.040 20 0 EGADLP CC(C)c1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000302503359 456350338 /nfs/dbraw/zinc/35/03/38/456350338.db2.gz PJUBZBOYJXREJS-HNNXBMFYSA-N 2 2 334.508 3.005 20 0 EGADLP CC(C)c1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000302503359 456350344 /nfs/dbraw/zinc/35/03/44/456350344.db2.gz PJUBZBOYJXREJS-HNNXBMFYSA-N 2 2 334.508 3.005 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000290592460 456377102 /nfs/dbraw/zinc/37/71/02/456377102.db2.gz VKCPKFGQWAWHLZ-UHFFFAOYSA-N 2 2 329.492 3.048 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000290592460 456377106 /nfs/dbraw/zinc/37/71/06/456377106.db2.gz VKCPKFGQWAWHLZ-UHFFFAOYSA-N 2 2 329.492 3.048 20 0 EGADLP Cc1ccc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000302875256 456422793 /nfs/dbraw/zinc/42/27/93/456422793.db2.gz DYIRJHCYGQKRTL-KRWDZBQOSA-N 2 2 325.460 3.100 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000302882368 456425510 /nfs/dbraw/zinc/42/55/10/456425510.db2.gz ITLGPFZWCOISKU-LBPRGKRZSA-N 2 2 331.851 3.350 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302883709 456425662 /nfs/dbraw/zinc/42/56/62/456425662.db2.gz JSIOEXBGFRNMDS-CYBMUJFWSA-N 2 2 337.899 3.193 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302883709 456425666 /nfs/dbraw/zinc/42/56/66/456425666.db2.gz JSIOEXBGFRNMDS-CYBMUJFWSA-N 2 2 337.899 3.193 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302883709 456425670 /nfs/dbraw/zinc/42/56/70/456425670.db2.gz JSIOEXBGFRNMDS-CYBMUJFWSA-N 2 2 337.899 3.193 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302883709 456425671 /nfs/dbraw/zinc/42/56/71/456425671.db2.gz JSIOEXBGFRNMDS-CYBMUJFWSA-N 2 2 337.899 3.193 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340482029 456486287 /nfs/dbraw/zinc/48/62/87/456486287.db2.gz CLNIJIIZOLEACX-QFUCXCTJSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340482029 456486297 /nfs/dbraw/zinc/48/62/97/456486297.db2.gz CLNIJIIZOLEACX-QFUCXCTJSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccncc1F ZINC000340536851 456518484 /nfs/dbraw/zinc/51/84/84/456518484.db2.gz SZHWBTXHHDSBAQ-CABCVRRESA-N 2 2 328.435 3.492 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187928 456524571 /nfs/dbraw/zinc/52/45/71/456524571.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187928 456524575 /nfs/dbraw/zinc/52/45/75/456524575.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187928 456524577 /nfs/dbraw/zinc/52/45/77/456524577.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187928 456524582 /nfs/dbraw/zinc/52/45/82/456524582.db2.gz QJUKWVSUVJPKRZ-YADHBBJMSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)s1 ZINC000348189989 456526026 /nfs/dbraw/zinc/52/60/26/456526026.db2.gz ZOHGXJXJPNBMQU-GFCCVEGCSA-N 2 2 337.439 3.472 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)s1 ZINC000348189989 456526032 /nfs/dbraw/zinc/52/60/32/456526032.db2.gz ZOHGXJXJPNBMQU-GFCCVEGCSA-N 2 2 337.439 3.472 20 0 EGADLP OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000291154391 456547506 /nfs/dbraw/zinc/54/75/06/456547506.db2.gz BQASOBAZLHLKAI-OAQYLSRUSA-N 2 2 335.451 3.152 20 0 EGADLP OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000291154391 456547514 /nfs/dbraw/zinc/54/75/14/456547514.db2.gz BQASOBAZLHLKAI-OAQYLSRUSA-N 2 2 335.451 3.152 20 0 EGADLP CCC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000299023225 456588160 /nfs/dbraw/zinc/58/81/60/456588160.db2.gz CHMLPHAHHKZFFA-HXUWFJFHSA-N 2 2 345.531 3.055 20 0 EGADLP CCC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000299023225 456588165 /nfs/dbraw/zinc/58/81/65/456588165.db2.gz CHMLPHAHHKZFFA-HXUWFJFHSA-N 2 2 345.531 3.055 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1F ZINC000353258628 456591684 /nfs/dbraw/zinc/59/16/84/456591684.db2.gz MDZTWWFTYDRCJB-HNNXBMFYSA-N 2 2 332.394 3.282 20 0 EGADLP Oc1ccc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000353258628 456591690 /nfs/dbraw/zinc/59/16/90/456591690.db2.gz MDZTWWFTYDRCJB-HNNXBMFYSA-N 2 2 332.394 3.282 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000314509092 456602036 /nfs/dbraw/zinc/60/20/36/456602036.db2.gz MRRHUAGLUTVVPM-FQEVSTJZSA-N 3 2 340.515 3.243 20 0 EGADLP Cn1c[nH+]cc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000314509092 456602044 /nfs/dbraw/zinc/60/20/44/456602044.db2.gz MRRHUAGLUTVVPM-FQEVSTJZSA-N 3 2 340.515 3.243 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000348325881 456624343 /nfs/dbraw/zinc/62/43/43/456624343.db2.gz XOGFJFIGXWCWLU-SJLPKXTDSA-N 2 2 345.535 3.481 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)s1 ZINC000348362080 456648883 /nfs/dbraw/zinc/64/88/83/456648883.db2.gz UVLWHSSIXCVAIL-QGZVFWFLSA-N 2 2 333.501 3.054 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCCC2)CC1 ZINC000299347894 456664488 /nfs/dbraw/zinc/66/44/88/456664488.db2.gz MZDLARLJJJVFDK-NRFANRHFSA-N 2 2 345.531 3.296 20 0 EGADLP OC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1F ZINC000343509467 456668813 /nfs/dbraw/zinc/66/88/13/456668813.db2.gz RCJWYAHRODOYJB-INIZCTEOSA-N 2 2 349.837 3.166 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794173 456674131 /nfs/dbraw/zinc/67/41/31/456674131.db2.gz MTKQZXFDGDPJRX-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OC(F)F ZINC000324794173 456674135 /nfs/dbraw/zinc/67/41/35/456674135.db2.gz MTKQZXFDGDPJRX-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655548 456729371 /nfs/dbraw/zinc/72/93/71/456729371.db2.gz MZRMHJZUYRYFBE-UONOGXRCSA-N 2 2 329.448 3.105 20 0 EGADLP CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655548 456729379 /nfs/dbraw/zinc/72/93/79/456729379.db2.gz MZRMHJZUYRYFBE-UONOGXRCSA-N 2 2 329.448 3.105 20 0 EGADLP COc1ccc(OCc2nc(C[NH2+]C[C@H](C)C[NH+](C)C)cs2)cc1 ZINC000291713832 456730681 /nfs/dbraw/zinc/73/06/81/456730681.db2.gz LTHWTMGWAAXKRS-AWEZNQCLSA-N 2 2 349.500 3.018 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348538753 456748452 /nfs/dbraw/zinc/74/84/52/456748452.db2.gz GGPDSJHYPBCPJV-BBWFWOEESA-N 2 2 340.471 3.163 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348538753 456748457 /nfs/dbraw/zinc/74/84/57/456748457.db2.gz GGPDSJHYPBCPJV-BBWFWOEESA-N 2 2 340.471 3.163 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277347037 456787693 /nfs/dbraw/zinc/78/76/93/456787693.db2.gz DMZDGSIVQCODOM-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277347037 456787700 /nfs/dbraw/zinc/78/77/00/456787700.db2.gz DMZDGSIVQCODOM-AWEZNQCLSA-N 2 2 328.403 3.213 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CS1 ZINC000277390666 456806081 /nfs/dbraw/zinc/80/60/81/456806081.db2.gz YEJGLDLSKGHERX-MOPGFXCFSA-N 2 2 334.529 3.139 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283581160 456806750 /nfs/dbraw/zinc/80/67/50/456806750.db2.gz WLXCFGQBHFZKGH-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283581160 456806755 /nfs/dbraw/zinc/80/67/55/456806755.db2.gz WLXCFGQBHFZKGH-ZNFPLGDCSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344301947 456815487 /nfs/dbraw/zinc/81/54/87/456815487.db2.gz RWWCGNHKKVTWFB-QWFCFKBJSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344301947 456815492 /nfs/dbraw/zinc/81/54/92/456815492.db2.gz RWWCGNHKKVTWFB-QWFCFKBJSA-N 2 2 330.516 3.428 20 0 EGADLP CC[NH+](CC)CCOC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353660474 456838708 /nfs/dbraw/zinc/83/87/08/456838708.db2.gz UCEPZARNPKJIQP-UHFFFAOYSA-N 3 2 333.520 3.145 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000345064369 456914325 /nfs/dbraw/zinc/91/43/25/456914325.db2.gz DEVMSPLMPJXLOU-JCKWVBRZSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000345064369 456914328 /nfs/dbraw/zinc/91/43/28/456914328.db2.gz DEVMSPLMPJXLOU-JCKWVBRZSA-N 2 2 340.870 3.488 20 0 EGADLP C[C@H](CC1CCCCC1)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000339098823 456940731 /nfs/dbraw/zinc/94/07/31/456940731.db2.gz SXOHZZDLHOFAJF-MRXNPFEDSA-N 2 2 345.535 3.167 20 0 EGADLP COCCc1cc[nH+]c(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)c1 ZINC000353884246 456950425 /nfs/dbraw/zinc/95/04/25/456950425.db2.gz WPDFFHPWHJJVKS-QGZVFWFLSA-N 2 2 326.375 3.334 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000349362255 456952753 /nfs/dbraw/zinc/95/27/53/456952753.db2.gz CODJSMCWCKGYHL-UHFFFAOYSA-N 2 2 345.340 3.485 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000349362255 456952758 /nfs/dbraw/zinc/95/27/58/456952758.db2.gz CODJSMCWCKGYHL-UHFFFAOYSA-N 2 2 345.340 3.485 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(-c2ccccn2)c1C ZINC000349381874 456959251 /nfs/dbraw/zinc/95/92/51/456959251.db2.gz ILCQMCZJSWJACI-UHFFFAOYSA-N 2 2 341.503 3.192 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(-c2ccccn2)c1C ZINC000349381874 456959255 /nfs/dbraw/zinc/95/92/55/456959255.db2.gz ILCQMCZJSWJACI-UHFFFAOYSA-N 2 2 341.503 3.192 20 0 EGADLP Cc1ccc(CCC[NH2+]CC2([NH+]3CCSCC3)CCCC2)cn1 ZINC000353915055 456963797 /nfs/dbraw/zinc/96/37/97/456963797.db2.gz MEAPULMOMZJAGI-UHFFFAOYSA-N 2 2 333.545 3.274 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353948575 456977023 /nfs/dbraw/zinc/97/70/23/456977023.db2.gz VUIBGVPUJADGQG-VXGBXAGGSA-N 2 2 332.366 3.166 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000353948575 456977025 /nfs/dbraw/zinc/97/70/25/456977025.db2.gz VUIBGVPUJADGQG-VXGBXAGGSA-N 2 2 332.366 3.166 20 0 EGADLP COC1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000349717984 457025849 /nfs/dbraw/zinc/02/58/49/457025849.db2.gz DTWIYQBDVSTWQM-AXIYNFMDSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000349717984 457025852 /nfs/dbraw/zinc/02/58/52/457025852.db2.gz DTWIYQBDVSTWQM-AXIYNFMDSA-N 2 2 345.531 3.477 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354039339 457026354 /nfs/dbraw/zinc/02/63/54/457026354.db2.gz RFGPDYZCQCXDHL-IBGZPJMESA-N 2 2 337.552 3.079 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354039339 457026362 /nfs/dbraw/zinc/02/63/62/457026362.db2.gz RFGPDYZCQCXDHL-IBGZPJMESA-N 2 2 337.552 3.079 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000346315532 457030171 /nfs/dbraw/zinc/03/01/71/457030171.db2.gz SVMBVYYIFXICDN-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000346315532 457030176 /nfs/dbraw/zinc/03/01/76/457030176.db2.gz SVMBVYYIFXICDN-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP CC[C@H](C[NH2+][C@H]1CCCc2nn(C)cc21)[N@H+]1CCc2ccccc2C1 ZINC000358911942 457034410 /nfs/dbraw/zinc/03/44/10/457034410.db2.gz DSWHDJORVMBUOT-QUCCMNQESA-N 2 2 338.499 3.224 20 0 EGADLP CC[C@@H]1C[N@H+](CCNc2c(C)c[nH+]c3c(OC)cccc23)CCO1 ZINC000362667765 457034997 /nfs/dbraw/zinc/03/49/97/457034997.db2.gz HHNKPYVAAFMLJC-OAHLLOKOSA-N 2 2 329.444 3.075 20 0 EGADLP CC[C@@H]1C[N@@H+](CCNc2c(C)c[nH+]c3c(OC)cccc23)CCO1 ZINC000362667765 457035005 /nfs/dbraw/zinc/03/50/05/457035005.db2.gz HHNKPYVAAFMLJC-OAHLLOKOSA-N 2 2 329.444 3.075 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccn(C)n1 ZINC000349771784 457046694 /nfs/dbraw/zinc/04/66/94/457046694.db2.gz AHWJSRQQYPYDNK-CRAIPNDOSA-N 2 2 327.476 3.081 20 0 EGADLP CC(C)C[C@H]([NH3+])c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000339387804 457084454 /nfs/dbraw/zinc/08/44/54/457084454.db2.gz QEUWBEJEZBVTJE-HOTGVXAUSA-N 2 2 346.500 3.254 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1OC(C)C ZINC000354165195 457103213 /nfs/dbraw/zinc/10/32/13/457103213.db2.gz FOKFOQSGHOVIMX-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1OC(C)C ZINC000354165195 457103218 /nfs/dbraw/zinc/10/32/18/457103218.db2.gz FOKFOQSGHOVIMX-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1OC(C)C ZINC000354165195 457103220 /nfs/dbraw/zinc/10/32/20/457103220.db2.gz FOKFOQSGHOVIMX-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1OC(C)C ZINC000354165195 457103226 /nfs/dbraw/zinc/10/32/26/457103226.db2.gz FOKFOQSGHOVIMX-FQEVSTJZSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000342144492 457134038 /nfs/dbraw/zinc/13/40/38/457134038.db2.gz UEEATOGJMRJVJL-QWRGUYRKSA-N 2 2 346.500 3.054 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225624 457141538 /nfs/dbraw/zinc/14/15/38/457141538.db2.gz SEETVZCTPXUWMV-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225624 457141542 /nfs/dbraw/zinc/14/15/42/457141542.db2.gz SEETVZCTPXUWMV-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225624 457141547 /nfs/dbraw/zinc/14/15/47/457141547.db2.gz SEETVZCTPXUWMV-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000354225624 457141552 /nfs/dbraw/zinc/14/15/52/457141552.db2.gz SEETVZCTPXUWMV-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800571 457177565 /nfs/dbraw/zinc/17/75/65/457177565.db2.gz RUCYAJVUVKMCFD-BXWFABGCSA-N 2 2 342.487 3.132 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800571 457177566 /nfs/dbraw/zinc/17/75/66/457177566.db2.gz RUCYAJVUVKMCFD-BXWFABGCSA-N 2 2 342.487 3.132 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044569 457201372 /nfs/dbraw/zinc/20/13/72/457201372.db2.gz NHZUEKYIDMVZQE-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000347044569 457201378 /nfs/dbraw/zinc/20/13/78/457201378.db2.gz NHZUEKYIDMVZQE-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](CC4CC4)C3)c2cc1C ZINC000339672156 457204095 /nfs/dbraw/zinc/20/40/95/457204095.db2.gz GMMYKZAAERWHHW-QZTJIDSGSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](CC4CC4)C3)c2cc1C ZINC000339672156 457204099 /nfs/dbraw/zinc/20/40/99/457204099.db2.gz GMMYKZAAERWHHW-QZTJIDSGSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@H](CO)c3ccccc3Cl)c[nH+]c12 ZINC000342289213 457215634 /nfs/dbraw/zinc/21/56/34/457215634.db2.gz LTIKLDZDWYWYRC-CQSZACIVSA-N 2 2 329.831 3.162 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347096026 457227816 /nfs/dbraw/zinc/22/78/16/457227816.db2.gz ITMFGOFLLMRDPU-UHFFFAOYSA-N 2 2 338.499 3.453 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1)CCC2 ZINC000360080252 457244497 /nfs/dbraw/zinc/24/44/97/457244497.db2.gz VEJHOGGULKXIDZ-WBVHZDCISA-N 2 2 340.471 3.100 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852776 457262332 /nfs/dbraw/zinc/26/23/32/457262332.db2.gz WPYQBBDVOOHSGF-DOTOQJQBSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852776 457262336 /nfs/dbraw/zinc/26/23/36/457262336.db2.gz WPYQBBDVOOHSGF-DOTOQJQBSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000360142952 457273354 /nfs/dbraw/zinc/27/33/54/457273354.db2.gz YQXNUIASJOMDPF-KRWDZBQOSA-N 2 2 348.450 3.261 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000347197656 457284048 /nfs/dbraw/zinc/28/40/48/457284048.db2.gz HWBLRYVYHAYPEE-ZJUUUORDSA-N 2 2 333.295 3.078 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000347197656 457284052 /nfs/dbraw/zinc/28/40/52/457284052.db2.gz HWBLRYVYHAYPEE-ZJUUUORDSA-N 2 2 333.295 3.078 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000332074463 457298368 /nfs/dbraw/zinc/29/83/68/457298368.db2.gz XQVAKUHDQFUAPM-HRCADAONSA-N 2 2 345.491 3.160 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000332073323 457298766 /nfs/dbraw/zinc/29/87/66/457298766.db2.gz WWHBBIHXYANJOK-OWCLPIDISA-N 2 2 345.491 3.031 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1C ZINC000354661000 457303478 /nfs/dbraw/zinc/30/34/78/457303478.db2.gz WFYQUCUSXAROPT-HHUCQEJWSA-N 2 2 344.499 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1C ZINC000354661000 457303481 /nfs/dbraw/zinc/30/34/81/457303481.db2.gz WFYQUCUSXAROPT-HHUCQEJWSA-N 2 2 344.499 3.074 20 0 EGADLP Fc1ccc2c(NCc3cc[nH+]c(N4CCOCC4)c3)cc[nH+]c2c1 ZINC000354673415 457307925 /nfs/dbraw/zinc/30/79/25/457307925.db2.gz SMIOHQUSFUVYCJ-UHFFFAOYSA-N 2 2 338.386 3.218 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332126395 457310647 /nfs/dbraw/zinc/31/06/47/457310647.db2.gz JEINJFVXLGUNGE-CHWSQXEVSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332126395 457310651 /nfs/dbraw/zinc/31/06/51/457310651.db2.gz JEINJFVXLGUNGE-CHWSQXEVSA-N 2 2 332.835 3.270 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000360564157 457319396 /nfs/dbraw/zinc/31/93/96/457319396.db2.gz QODLURIRFHIKNV-SFHVURJKSA-N 2 2 329.469 3.004 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000360564157 457319400 /nfs/dbraw/zinc/31/94/00/457319400.db2.gz QODLURIRFHIKNV-SFHVURJKSA-N 2 2 329.469 3.004 20 0 EGADLP CC(C)[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCO1 ZINC000347270056 457322866 /nfs/dbraw/zinc/32/28/66/457322866.db2.gz KMWVSAXIJBUKLR-VQIMIIECSA-N 2 2 346.519 3.228 20 0 EGADLP Cc1cnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439120 457368313 /nfs/dbraw/zinc/36/83/13/457368313.db2.gz JUSRLTWYPWBIFR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439120 457368316 /nfs/dbraw/zinc/36/83/16/457368316.db2.gz JUSRLTWYPWBIFR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439120 457368319 /nfs/dbraw/zinc/36/83/19/457368319.db2.gz JUSRLTWYPWBIFR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352439120 457368322 /nfs/dbraw/zinc/36/83/22/457368322.db2.gz JUSRLTWYPWBIFR-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000386482320 457430462 /nfs/dbraw/zinc/43/04/62/457430462.db2.gz WJAPLDPWNCXEOR-GOSISDBHSA-N 2 2 332.451 3.242 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cnc4ccccc4n3)C2)cc1 ZINC000386482320 457430473 /nfs/dbraw/zinc/43/04/73/457430473.db2.gz WJAPLDPWNCXEOR-GOSISDBHSA-N 2 2 332.451 3.242 20 0 EGADLP CCc1nc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)sc1C ZINC000360920785 457434064 /nfs/dbraw/zinc/43/40/64/457434064.db2.gz RCTFYMLVKYDCGX-UHFFFAOYSA-N 2 2 344.528 3.206 20 0 EGADLP CC[C@@H](C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1)[NH+](C)C ZINC000425104968 457438318 /nfs/dbraw/zinc/43/83/18/457438318.db2.gz FXIZVCVINLANMZ-SFHVURJKSA-N 2 2 336.439 3.432 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cscc1C(F)(F)F ZINC000356112755 457457088 /nfs/dbraw/zinc/45/70/88/457457088.db2.gz PFAUBXONJKDVHF-YUELXQCFSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cscc1C(F)(F)F ZINC000356112755 457457093 /nfs/dbraw/zinc/45/70/93/457457093.db2.gz PFAUBXONJKDVHF-YUELXQCFSA-N 2 2 348.434 3.450 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314977 457494212 /nfs/dbraw/zinc/49/42/12/457494212.db2.gz KBJNXOSWFXWHPJ-SJLPKXTDSA-N 2 2 342.487 3.168 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314977 457494218 /nfs/dbraw/zinc/49/42/18/457494218.db2.gz KBJNXOSWFXWHPJ-SJLPKXTDSA-N 2 2 342.487 3.168 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)n1C ZINC000425321268 457497972 /nfs/dbraw/zinc/49/79/72/457497972.db2.gz DZVQCCJBTKSMSU-UHFFFAOYSA-N 2 2 330.451 3.080 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000357414283 457507733 /nfs/dbraw/zinc/50/77/33/457507733.db2.gz MKTMJWCVEZLBLI-ZBFHGGJFSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000370040314 457513084 /nfs/dbraw/zinc/51/30/84/457513084.db2.gz JORIXBJLKLDURX-HNNXBMFYSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000342786776 457529134 /nfs/dbraw/zinc/52/91/34/457529134.db2.gz UBYWKWIMIHNOPP-QFBILLFUSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1C ZINC000342786776 457529141 /nfs/dbraw/zinc/52/91/41/457529141.db2.gz UBYWKWIMIHNOPP-QFBILLFUSA-N 2 2 326.488 3.213 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712020 457550400 /nfs/dbraw/zinc/55/04/00/457550400.db2.gz BRRNRENGDWWDTB-NQIIRXRSSA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712020 457550404 /nfs/dbraw/zinc/55/04/04/457550404.db2.gz BRRNRENGDWWDTB-NQIIRXRSSA-N 2 2 341.499 3.086 20 0 EGADLP c1coc(-c2nnc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)o2)c1 ZINC000361059180 457552357 /nfs/dbraw/zinc/55/23/57/457552357.db2.gz FPEUQWCNVOGLRM-UHFFFAOYSA-N 2 2 341.415 3.219 20 0 EGADLP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352715896 457552527 /nfs/dbraw/zinc/55/25/27/457552527.db2.gz HDFJKVXKPUQVQM-IAGOWNOFSA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000352715896 457552534 /nfs/dbraw/zinc/55/25/34/457552534.db2.gz HDFJKVXKPUQVQM-IAGOWNOFSA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000352715896 457552542 /nfs/dbraw/zinc/55/25/42/457552542.db2.gz HDFJKVXKPUQVQM-IAGOWNOFSA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000352715896 457552547 /nfs/dbraw/zinc/55/25/47/457552547.db2.gz HDFJKVXKPUQVQM-IAGOWNOFSA-N 2 2 332.488 3.487 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)C[C@@H]1COc2ccccc2O1 ZINC000347631231 457563030 /nfs/dbraw/zinc/56/30/30/457563030.db2.gz FHJPUHUICHWJJK-GOSISDBHSA-N 2 2 326.440 3.485 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)C[C@@H]1COc2ccccc2O1 ZINC000347631231 457563034 /nfs/dbraw/zinc/56/30/34/457563034.db2.gz FHJPUHUICHWJJK-GOSISDBHSA-N 2 2 326.440 3.485 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073843 457564352 /nfs/dbraw/zinc/56/43/52/457564352.db2.gz NNONIUMDEYESHZ-QGZVFWFLSA-N 2 2 340.471 3.403 20 0 EGADLP COc1cccc(OCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361074283 457566615 /nfs/dbraw/zinc/56/66/15/457566615.db2.gz SUSUPKGKXDMBTM-UHFFFAOYSA-N 2 2 343.471 3.463 20 0 EGADLP COCc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357513714 457572579 /nfs/dbraw/zinc/57/25/79/457572579.db2.gz NTKHSOGYYZASNS-GDBMZVCRSA-N 2 2 331.435 3.227 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)s1 ZINC000356362227 457586336 /nfs/dbraw/zinc/58/63/36/457586336.db2.gz KMAZKUHKKYKRFH-LJQANCHMSA-N 2 2 343.496 3.174 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)s1 ZINC000356362227 457586338 /nfs/dbraw/zinc/58/63/38/457586338.db2.gz KMAZKUHKKYKRFH-LJQANCHMSA-N 2 2 343.496 3.174 20 0 EGADLP Cc1nc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc[nH+]1 ZINC000361163219 457622396 /nfs/dbraw/zinc/62/23/96/457622396.db2.gz XBJCLDODEXWWOY-OAHLLOKOSA-N 2 2 334.826 3.248 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181605 457633481 /nfs/dbraw/zinc/63/34/81/457633481.db2.gz ORRLJFZMURLECY-LSDHHAIUSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181605 457633483 /nfs/dbraw/zinc/63/34/83/457633483.db2.gz ORRLJFZMURLECY-LSDHHAIUSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181605 457633485 /nfs/dbraw/zinc/63/34/85/457633485.db2.gz ORRLJFZMURLECY-LSDHHAIUSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181605 457633488 /nfs/dbraw/zinc/63/34/88/457633488.db2.gz ORRLJFZMURLECY-LSDHHAIUSA-N 2 2 340.462 3.444 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199165 457642605 /nfs/dbraw/zinc/64/26/05/457642605.db2.gz BWTYPMQAWOIYEG-MAUKXSAKSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199165 457642608 /nfs/dbraw/zinc/64/26/08/457642608.db2.gz BWTYPMQAWOIYEG-MAUKXSAKSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)cc[nH+]1 ZINC000357682371 457653425 /nfs/dbraw/zinc/65/34/25/457653425.db2.gz KTGZFLHTKCQHRT-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCCCOc3ccccc3)CC2)CCO1 ZINC000357700894 457662182 /nfs/dbraw/zinc/66/21/82/457662182.db2.gz OAUOGTFIUNQOHZ-GOSISDBHSA-N 2 2 332.488 3.031 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+](CCCCOc3ccccc3)CC2)CCO1 ZINC000357700894 457662186 /nfs/dbraw/zinc/66/21/86/457662186.db2.gz OAUOGTFIUNQOHZ-GOSISDBHSA-N 2 2 332.488 3.031 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(-n3cncn3)cc1)CCC2 ZINC000374574534 457663867 /nfs/dbraw/zinc/66/38/67/457663867.db2.gz ICIJUFQQVLBMEJ-RDJZCZTQSA-N 2 2 336.443 3.000 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000374577340 457664592 /nfs/dbraw/zinc/66/45/92/457664592.db2.gz RLCWLZWOHINJJT-DZGCQCFKSA-N 2 2 344.434 3.215 20 0 EGADLP Clc1ccccc1CN1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000361458533 457738456 /nfs/dbraw/zinc/73/84/56/457738456.db2.gz ZVFPBJXOKGXSKQ-QGZVFWFLSA-N 2 2 344.890 3.106 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000361470978 457742422 /nfs/dbraw/zinc/74/24/22/457742422.db2.gz WSINKERLSOLOPH-HXUWFJFHSA-N 2 2 348.450 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000361470978 457742424 /nfs/dbraw/zinc/74/24/24/457742424.db2.gz WSINKERLSOLOPH-HXUWFJFHSA-N 2 2 348.450 3.229 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)o1 ZINC000426350300 457808310 /nfs/dbraw/zinc/80/83/10/457808310.db2.gz WYXZJSVDNXIJHO-WBVHZDCISA-N 2 2 337.508 3.162 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)o1 ZINC000426350300 457808317 /nfs/dbraw/zinc/80/83/17/457808317.db2.gz WYXZJSVDNXIJHO-WBVHZDCISA-N 2 2 337.508 3.162 20 0 EGADLP C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358152740 457818969 /nfs/dbraw/zinc/81/89/69/457818969.db2.gz HXKHPQXXYIFQHZ-KUHUBIRLSA-N 2 2 325.387 3.396 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000366481093 457823034 /nfs/dbraw/zinc/82/30/34/457823034.db2.gz KHOUPNNJVJCKMV-OAQYLSRUSA-N 2 2 336.483 3.377 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000366481093 457823040 /nfs/dbraw/zinc/82/30/40/457823040.db2.gz KHOUPNNJVJCKMV-OAQYLSRUSA-N 2 2 336.483 3.377 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000366481093 457823048 /nfs/dbraw/zinc/82/30/48/457823048.db2.gz KHOUPNNJVJCKMV-OAQYLSRUSA-N 2 2 336.483 3.377 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000366481093 457823053 /nfs/dbraw/zinc/82/30/53/457823053.db2.gz KHOUPNNJVJCKMV-OAQYLSRUSA-N 2 2 336.483 3.377 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161861 457826890 /nfs/dbraw/zinc/82/68/90/457826890.db2.gz RMZPTCOIBOFADI-ZBFHGGJFSA-N 2 2 330.501 3.068 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000358161861 457826893 /nfs/dbraw/zinc/82/68/93/457826893.db2.gz RMZPTCOIBOFADI-ZBFHGGJFSA-N 2 2 330.501 3.068 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2)NC(=O)OC(C)(C)C ZINC000375316812 457879447 /nfs/dbraw/zinc/87/94/47/457879447.db2.gz FBIFODOACJDLQQ-ZIAGYGMSSA-N 2 2 336.480 3.001 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000361826951 457890785 /nfs/dbraw/zinc/89/07/85/457890785.db2.gz DPQUJYTWKLNIGC-CVEARBPZSA-N 2 2 339.361 3.068 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000361826951 457890789 /nfs/dbraw/zinc/89/07/89/457890789.db2.gz DPQUJYTWKLNIGC-CVEARBPZSA-N 2 2 339.361 3.068 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358254449 457891751 /nfs/dbraw/zinc/89/17/51/457891751.db2.gz PQLNSKFCPWVFNU-GHTZIAJQSA-N 2 2 346.515 3.162 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358254449 457891759 /nfs/dbraw/zinc/89/17/59/457891759.db2.gz PQLNSKFCPWVFNU-GHTZIAJQSA-N 2 2 346.515 3.162 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000358301501 457920721 /nfs/dbraw/zinc/92/07/21/457920721.db2.gz PUROUGQNOGVVOZ-GDBMZVCRSA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)cs2)[C@H](C)C1 ZINC000358301501 457920726 /nfs/dbraw/zinc/92/07/26/457920726.db2.gz PUROUGQNOGVVOZ-GDBMZVCRSA-N 2 2 337.533 3.247 20 0 EGADLP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444677903 457937240 /nfs/dbraw/zinc/93/72/40/457937240.db2.gz WYLNPOKBZUBUSH-IRXDYDNUSA-N 2 2 339.487 3.010 20 0 EGADLP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444677903 457937248 /nfs/dbraw/zinc/93/72/48/457937248.db2.gz WYLNPOKBZUBUSH-IRXDYDNUSA-N 2 2 339.487 3.010 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427125049 457947084 /nfs/dbraw/zinc/94/70/84/457947084.db2.gz YWAPUGZVMMHCCK-ROUUACIJSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OCC ZINC000427125049 457947090 /nfs/dbraw/zinc/94/70/90/457947090.db2.gz YWAPUGZVMMHCCK-ROUUACIJSA-N 2 2 332.488 3.448 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cnn1C(C)(C)C ZINC000375497604 457951855 /nfs/dbraw/zinc/95/18/55/457951855.db2.gz BBCBHILETLINOY-AWEZNQCLSA-N 2 2 329.492 3.373 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358351098 457952050 /nfs/dbraw/zinc/95/20/50/457952050.db2.gz JRPRCNYMLQFXDO-KNKQGSTJSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000358351098 457952054 /nfs/dbraw/zinc/95/20/54/457952054.db2.gz JRPRCNYMLQFXDO-KNKQGSTJSA-N 2 2 336.479 3.207 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929751 457962162 /nfs/dbraw/zinc/96/21/62/457962162.db2.gz ZOMLJKFGPHBNHI-MAUKXSAKSA-N 2 2 329.513 3.358 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929751 457962167 /nfs/dbraw/zinc/96/21/67/457962167.db2.gz ZOMLJKFGPHBNHI-MAUKXSAKSA-N 2 2 329.513 3.358 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)[S@@]1=O ZINC000411720370 457962252 /nfs/dbraw/zinc/96/22/52/457962252.db2.gz PNENANMLRQOCQD-PWAGRJGVSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)[S@@]1=O ZINC000411720370 457962261 /nfs/dbraw/zinc/96/22/61/457962261.db2.gz PNENANMLRQOCQD-PWAGRJGVSA-N 2 2 348.556 3.404 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000367745398 457977704 /nfs/dbraw/zinc/97/77/04/457977704.db2.gz FBYYORIYCYATIK-HLLBOEOZSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000367745398 457977713 /nfs/dbraw/zinc/97/77/13/457977713.db2.gz FBYYORIYCYATIK-HLLBOEOZSA-N 2 2 339.524 3.094 20 0 EGADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418859 457991319 /nfs/dbraw/zinc/99/13/19/457991319.db2.gz GEFRWZYDOLBEOZ-ROUUACIJSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418859 457991324 /nfs/dbraw/zinc/99/13/24/457991324.db2.gz GEFRWZYDOLBEOZ-ROUUACIJSA-N 2 2 349.906 3.076 20 0 EGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970918 458027809 /nfs/dbraw/zinc/02/78/09/458027809.db2.gz NXHHPXQPIKQAHV-YYWHXJBOSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@@](C)([C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000411970918 458027820 /nfs/dbraw/zinc/02/78/20/458027820.db2.gz NXHHPXQPIKQAHV-YYWHXJBOSA-N 2 2 346.515 3.071 20 0 EGADLP [NH3+]C1CC[NH+](Cc2nc(-c3cccc(OC(F)F)c3)cs2)CC1 ZINC000434660482 458031097 /nfs/dbraw/zinc/03/10/97/458031097.db2.gz CXQUNPVEOUOAGY-UHFFFAOYSA-N 2 2 339.411 3.335 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Br ZINC000427890282 458047586 /nfs/dbraw/zinc/04/75/86/458047586.db2.gz ISUWDIGOSABAIY-CMPLNLGQSA-N 2 2 338.224 3.450 20 0 EGADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000434788418 458050164 /nfs/dbraw/zinc/05/01/64/458050164.db2.gz YQKGPISQRYWNAC-HKUYNNGSSA-N 3 2 330.520 3.008 20 0 EGADLP CC[N@@H+](Cc1occc1C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000412023906 458050929 /nfs/dbraw/zinc/05/09/29/458050929.db2.gz DLQMZZKMLYKNHR-KRWDZBQOSA-N 2 2 341.455 3.438 20 0 EGADLP CC[N@H+](Cc1occc1C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000412023906 458050937 /nfs/dbraw/zinc/05/09/37/458050937.db2.gz DLQMZZKMLYKNHR-KRWDZBQOSA-N 2 2 341.455 3.438 20 0 EGADLP Fc1ccc(-c2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000371763369 458063451 /nfs/dbraw/zinc/06/34/51/458063451.db2.gz YFCGYLAFWNHTLN-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1ccc(-c2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)on2)cc1 ZINC000371763369 458063455 /nfs/dbraw/zinc/06/34/55/458063455.db2.gz YFCGYLAFWNHTLN-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037536 458069369 /nfs/dbraw/zinc/06/93/69/458069369.db2.gz ZCFHHCHTHFVXGM-PXNSSMCTSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037536 458069380 /nfs/dbraw/zinc/06/93/80/458069380.db2.gz ZCFHHCHTHFVXGM-PXNSSMCTSA-N 2 2 347.547 3.164 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccn(-c3ccccc3)n2)c[nH+]1 ZINC000358599493 458100762 /nfs/dbraw/zinc/10/07/62/458100762.db2.gz NCFCAOBOEAJRIW-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000435375864 458126483 /nfs/dbraw/zinc/12/64/83/458126483.db2.gz OMMUBYHAHUPGDQ-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000435375864 458126487 /nfs/dbraw/zinc/12/64/87/458126487.db2.gz OMMUBYHAHUPGDQ-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000435383111 458129620 /nfs/dbraw/zinc/12/96/20/458129620.db2.gz FCZMMPCIBQRZGR-DNVCBOLYSA-N 2 2 325.456 3.459 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000435383111 458129628 /nfs/dbraw/zinc/12/96/28/458129628.db2.gz FCZMMPCIBQRZGR-DNVCBOLYSA-N 2 2 325.456 3.459 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435381850 458130229 /nfs/dbraw/zinc/13/02/29/458130229.db2.gz WEVWVCPOHGZWRP-FQEVSTJZSA-N 2 2 332.451 3.131 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435381850 458130233 /nfs/dbraw/zinc/13/02/33/458130233.db2.gz WEVWVCPOHGZWRP-FQEVSTJZSA-N 2 2 332.451 3.131 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435384969 458132948 /nfs/dbraw/zinc/13/29/48/458132948.db2.gz PGRCBAWALMABGW-GFCCVEGCSA-N 2 2 349.276 3.010 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435384969 458132951 /nfs/dbraw/zinc/13/29/51/458132951.db2.gz PGRCBAWALMABGW-GFCCVEGCSA-N 2 2 349.276 3.010 20 0 EGADLP Cc1ccc(F)c(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435435010 458146343 /nfs/dbraw/zinc/14/63/43/458146343.db2.gz VVXCQTFRDBSVBP-SFHVURJKSA-N 2 2 342.462 3.012 20 0 EGADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435444643 458149306 /nfs/dbraw/zinc/14/93/06/458149306.db2.gz AVWUSWWZYGBKNJ-INIZCTEOSA-N 2 2 331.485 3.072 20 0 EGADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000435444643 458149309 /nfs/dbraw/zinc/14/93/09/458149309.db2.gz AVWUSWWZYGBKNJ-INIZCTEOSA-N 2 2 331.485 3.072 20 0 EGADLP COc1cccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435444788 458149732 /nfs/dbraw/zinc/14/97/32/458149732.db2.gz SRFUGHZWXKQGTD-MRXNPFEDSA-N 2 2 331.485 3.072 20 0 EGADLP COc1cccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435444788 458149735 /nfs/dbraw/zinc/14/97/35/458149735.db2.gz SRFUGHZWXKQGTD-MRXNPFEDSA-N 2 2 331.485 3.072 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000362403136 458157056 /nfs/dbraw/zinc/15/70/56/458157056.db2.gz TVWHSACOUIBNBO-GOSISDBHSA-N 3 2 327.476 3.252 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000362403136 458157061 /nfs/dbraw/zinc/15/70/61/458157061.db2.gz TVWHSACOUIBNBO-GOSISDBHSA-N 3 2 327.476 3.252 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)CCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435554753 458161195 /nfs/dbraw/zinc/16/11/95/458161195.db2.gz AQZLIOUSSCKQDV-MRXNPFEDSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C[N@@H+]1C1CC1 ZINC000428570453 458170872 /nfs/dbraw/zinc/17/08/72/458170872.db2.gz YFAFUJUIFSNSCZ-OBUJGBQQSA-N 2 2 346.490 3.114 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C[N@H+]1C1CC1 ZINC000428570453 458170878 /nfs/dbraw/zinc/17/08/78/458170878.db2.gz YFAFUJUIFSNSCZ-OBUJGBQQSA-N 2 2 346.490 3.114 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435617267 458173887 /nfs/dbraw/zinc/17/38/87/458173887.db2.gz VSTZYKWJDNMOPE-QGZVFWFLSA-N 2 2 325.456 3.242 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435617267 458173892 /nfs/dbraw/zinc/17/38/92/458173892.db2.gz VSTZYKWJDNMOPE-QGZVFWFLSA-N 2 2 325.456 3.242 20 0 EGADLP CC[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435627360 458176604 /nfs/dbraw/zinc/17/66/04/458176604.db2.gz QXXFPYGYPLUMJC-HNNXBMFYSA-N 2 2 334.851 3.354 20 0 EGADLP CC[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435627360 458176609 /nfs/dbraw/zinc/17/66/09/458176609.db2.gz QXXFPYGYPLUMJC-HNNXBMFYSA-N 2 2 334.851 3.354 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+](CC)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435630442 458177127 /nfs/dbraw/zinc/17/71/27/458177127.db2.gz XCOUVEYHUGIFQY-QGZVFWFLSA-N 2 2 328.460 3.263 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+](CC)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435630442 458177133 /nfs/dbraw/zinc/17/71/33/458177133.db2.gz XCOUVEYHUGIFQY-QGZVFWFLSA-N 2 2 328.460 3.263 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1Cl ZINC000369378188 458197002 /nfs/dbraw/zinc/19/70/02/458197002.db2.gz QSYZHEKFJKIOQG-CVEARBPZSA-N 2 2 344.890 3.457 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000369378188 458197003 /nfs/dbraw/zinc/19/70/03/458197003.db2.gz QSYZHEKFJKIOQG-CVEARBPZSA-N 2 2 344.890 3.457 20 0 EGADLP CCC[N@H+](CCC[NH2+]C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000435880438 458218654 /nfs/dbraw/zinc/21/86/54/458218654.db2.gz JEQNWQQSEZEWOM-UHFFFAOYSA-N 2 2 332.275 3.253 20 0 EGADLP CCC[N@@H+](CCC[NH2+]C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000435880438 458218658 /nfs/dbraw/zinc/21/86/58/458218658.db2.gz JEQNWQQSEZEWOM-UHFFFAOYSA-N 2 2 332.275 3.253 20 0 EGADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000362511036 458232021 /nfs/dbraw/zinc/23/20/21/458232021.db2.gz MNSJXJRUGPAZQO-ZDUSSCGKSA-N 2 2 340.349 3.125 20 0 EGADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cn1 ZINC000362511036 458232028 /nfs/dbraw/zinc/23/20/28/458232028.db2.gz MNSJXJRUGPAZQO-ZDUSSCGKSA-N 2 2 340.349 3.125 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)c1ccc(Cl)cc1 ZINC000358823697 458240866 /nfs/dbraw/zinc/24/08/66/458240866.db2.gz IPKPYAQZUOIBJI-MRXNPFEDSA-N 2 2 334.851 3.184 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)c1c[nH+]c(C)[nH]1)c1ccc(Cl)cc1 ZINC000358823697 458240871 /nfs/dbraw/zinc/24/08/71/458240871.db2.gz IPKPYAQZUOIBJI-MRXNPFEDSA-N 2 2 334.851 3.184 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000447093981 458265493 /nfs/dbraw/zinc/26/54/93/458265493.db2.gz OAEJPBGFXNTSMB-XMMPIXPASA-N 2 2 344.480 3.171 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000429154467 458283625 /nfs/dbraw/zinc/28/36/25/458283625.db2.gz KSUZAIGMEFWYGH-LSDHHAIUSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000429154467 458283630 /nfs/dbraw/zinc/28/36/30/458283630.db2.gz KSUZAIGMEFWYGH-LSDHHAIUSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000429154467 458283635 /nfs/dbraw/zinc/28/36/35/458283635.db2.gz KSUZAIGMEFWYGH-LSDHHAIUSA-N 2 2 339.886 3.474 20 0 EGADLP C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000429154467 458283640 /nfs/dbraw/zinc/28/36/40/458283640.db2.gz KSUZAIGMEFWYGH-LSDHHAIUSA-N 2 2 339.886 3.474 20 0 EGADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000447597692 458319156 /nfs/dbraw/zinc/31/91/56/458319156.db2.gz GAIYDLFOCRUCHV-KKSFZXQISA-N 2 2 343.515 3.033 20 0 EGADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000447597692 458319164 /nfs/dbraw/zinc/31/91/64/458319164.db2.gz GAIYDLFOCRUCHV-KKSFZXQISA-N 2 2 343.515 3.033 20 0 EGADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc(Cl)c1O ZINC000459312038 458325787 /nfs/dbraw/zinc/32/57/87/458325787.db2.gz NRNRXOAEAUPKJW-UHFFFAOYSA-N 2 2 326.868 3.360 20 0 EGADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc(Cl)c1O ZINC000459312038 458325793 /nfs/dbraw/zinc/32/57/93/458325793.db2.gz NRNRXOAEAUPKJW-UHFFFAOYSA-N 2 2 326.868 3.360 20 0 EGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429460291 458334518 /nfs/dbraw/zinc/33/45/18/458334518.db2.gz XRBHFJFDTDVERS-GHTZIAJQSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429460291 458334521 /nfs/dbraw/zinc/33/45/21/458334521.db2.gz XRBHFJFDTDVERS-GHTZIAJQSA-N 2 2 346.515 3.072 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360462 458344150 /nfs/dbraw/zinc/34/41/50/458344150.db2.gz OHIYZJZSXCVALT-CRAIPNDOSA-N 2 2 340.471 3.154 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360462 458344152 /nfs/dbraw/zinc/34/41/52/458344152.db2.gz OHIYZJZSXCVALT-CRAIPNDOSA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360462 458344156 /nfs/dbraw/zinc/34/41/56/458344156.db2.gz OHIYZJZSXCVALT-CRAIPNDOSA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000459360462 458344160 /nfs/dbraw/zinc/34/41/60/458344160.db2.gz OHIYZJZSXCVALT-CRAIPNDOSA-N 2 2 340.471 3.154 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675391 458357401 /nfs/dbraw/zinc/35/74/01/458357401.db2.gz GIHHCPMUWRGEBF-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675391 458357404 /nfs/dbraw/zinc/35/74/04/458357404.db2.gz GIHHCPMUWRGEBF-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675391 458357410 /nfs/dbraw/zinc/35/74/10/458357410.db2.gz GIHHCPMUWRGEBF-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675391 458357415 /nfs/dbraw/zinc/35/74/15/458357415.db2.gz GIHHCPMUWRGEBF-RBUKOAKNSA-N 2 2 334.529 3.105 20 0 EGADLP CN1CCCC(C)(C)[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000447900370 458364404 /nfs/dbraw/zinc/36/44/04/458364404.db2.gz BQRKJTJTMNCTPT-HXUWFJFHSA-N 2 2 329.532 3.361 20 0 EGADLP CCCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000376729040 458377324 /nfs/dbraw/zinc/37/73/24/458377324.db2.gz NEMRYZQFTCDJNQ-UHFFFAOYSA-N 2 2 329.444 3.307 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)no1 ZINC000459464965 458379425 /nfs/dbraw/zinc/37/94/25/458379425.db2.gz MWCJQVDHEUYAIH-UHFFFAOYSA-N 2 2 343.471 3.343 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000430080086 458398245 /nfs/dbraw/zinc/39/82/45/458398245.db2.gz AVWYWJXYRRCHDF-OAHLLOKOSA-N 2 2 346.462 3.209 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000373233591 458439254 /nfs/dbraw/zinc/43/92/54/458439254.db2.gz WMTNEZXWQWSRNF-OAHLLOKOSA-N 2 2 335.398 3.444 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000373233591 458439258 /nfs/dbraw/zinc/43/92/58/458439258.db2.gz WMTNEZXWQWSRNF-OAHLLOKOSA-N 2 2 335.398 3.444 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000373236403 458440380 /nfs/dbraw/zinc/44/03/80/458440380.db2.gz IGRZGPGNMAUGGU-UHFFFAOYSA-N 2 2 328.460 3.454 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423509764 458447056 /nfs/dbraw/zinc/44/70/56/458447056.db2.gz JGGXMYMBQIDGHY-MOPGFXCFSA-N 2 2 347.865 3.062 20 0 EGADLP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000423530870 458453086 /nfs/dbraw/zinc/45/30/86/458453086.db2.gz XMDOGRRBEGGQQT-UWJYYQICSA-N 2 2 340.467 3.213 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000430542121 458458411 /nfs/dbraw/zinc/45/84/11/458458411.db2.gz CEHCQDJXXCEYNF-PMACEKPBSA-N 2 2 349.494 3.136 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430554812 458461407 /nfs/dbraw/zinc/46/14/07/458461407.db2.gz NVLJEPNLBPEXOQ-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430554812 458461411 /nfs/dbraw/zinc/46/14/11/458461411.db2.gz NVLJEPNLBPEXOQ-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578056 458464910 /nfs/dbraw/zinc/46/49/10/458464910.db2.gz OZGBCJBUBKVDKE-JTQLQIEISA-N 2 2 342.365 3.475 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430578056 458464913 /nfs/dbraw/zinc/46/49/13/458464913.db2.gz OZGBCJBUBKVDKE-JTQLQIEISA-N 2 2 342.365 3.475 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000430576125 458465558 /nfs/dbraw/zinc/46/55/58/458465558.db2.gz RQDRVLAYNOHGOL-YLJYHZDGSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000430576125 458465563 /nfs/dbraw/zinc/46/55/63/458465563.db2.gz RQDRVLAYNOHGOL-YLJYHZDGSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000430593388 458467585 /nfs/dbraw/zinc/46/75/85/458467585.db2.gz SJGDOAKNBGFUJX-UZLBHIALSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000430593388 458467589 /nfs/dbraw/zinc/46/75/89/458467589.db2.gz SJGDOAKNBGFUJX-UZLBHIALSA-N 2 2 341.499 3.322 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1C[NH3+] ZINC000430594190 458467890 /nfs/dbraw/zinc/46/78/90/458467890.db2.gz JZOYMUXHBMOOMM-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@H]1C[NH3+] ZINC000430594190 458467896 /nfs/dbraw/zinc/46/78/96/458467896.db2.gz JZOYMUXHBMOOMM-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(CCc3ccccc3)CC2)n1 ZINC000430598784 458468832 /nfs/dbraw/zinc/46/88/32/458468832.db2.gz PESLGBQNKVQGPM-UHFFFAOYSA-N 2 2 328.460 3.108 20 0 EGADLP [NH3+]C1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000430605206 458470937 /nfs/dbraw/zinc/47/09/37/458470937.db2.gz QBKONCFQNBHSCB-UHFFFAOYSA-N 2 2 336.233 3.027 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612411 458471403 /nfs/dbraw/zinc/47/14/03/458471403.db2.gz RFECRGVXQYCDMA-KGLIPLIRSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612411 458471405 /nfs/dbraw/zinc/47/14/05/458471405.db2.gz RFECRGVXQYCDMA-KGLIPLIRSA-N 2 2 332.423 3.177 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000423808900 458488341 /nfs/dbraw/zinc/48/83/41/458488341.db2.gz JETCGEIXLUTNPI-FQEVSTJZSA-N 2 2 334.423 3.263 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2[nH+]c1C1CC1 ZINC000423817864 458490100 /nfs/dbraw/zinc/49/01/00/458490100.db2.gz YQFXAFHXSHFLNF-IFXJQAMLSA-N 2 2 326.444 3.297 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437799216 458495522 /nfs/dbraw/zinc/49/55/22/458495522.db2.gz VYAYPVMHJSEOQK-CQSZACIVSA-N 2 2 341.484 3.326 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437799216 458495525 /nfs/dbraw/zinc/49/55/25/458495525.db2.gz VYAYPVMHJSEOQK-CQSZACIVSA-N 2 2 341.484 3.326 20 0 EGADLP [NH3+]C[C@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916369 458503938 /nfs/dbraw/zinc/50/39/38/458503938.db2.gz AFVDJIPRTQAHAR-CRAIPNDOSA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+]C[C@H]1CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916369 458503940 /nfs/dbraw/zinc/50/39/40/458503940.db2.gz AFVDJIPRTQAHAR-CRAIPNDOSA-N 2 2 334.423 3.107 20 0 EGADLP CCC[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000430918073 458504882 /nfs/dbraw/zinc/50/48/82/458504882.db2.gz LQQOTEHDNMURTP-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CC[NH2+]C1 ZINC000430918073 458504887 /nfs/dbraw/zinc/50/48/87/458504887.db2.gz LQQOTEHDNMURTP-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000430922375 458505225 /nfs/dbraw/zinc/50/52/25/458505225.db2.gz ZWUWKJOHPHOECZ-LLVKDONJSA-N 2 2 344.286 3.252 20 0 EGADLP Cc1cccc(C[NH+](C)CC(C)C[N@H+](C)Cc2cccc(C)n2)n1 ZINC000437882440 458506030 /nfs/dbraw/zinc/50/60/30/458506030.db2.gz QIWQDUSYQFSWDD-UHFFFAOYSA-N 2 2 326.488 3.293 20 0 EGADLP Cc1cccc(C[NH+](C)CC(C)C[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000437882440 458506034 /nfs/dbraw/zinc/50/60/34/458506034.db2.gz QIWQDUSYQFSWDD-UHFFFAOYSA-N 2 2 326.488 3.293 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954493 458510263 /nfs/dbraw/zinc/51/02/63/458510263.db2.gz FUYUVQDJUHZYEO-DLBZAZTESA-N 2 2 337.467 3.222 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954493 458510267 /nfs/dbraw/zinc/51/02/67/458510267.db2.gz FUYUVQDJUHZYEO-DLBZAZTESA-N 2 2 337.467 3.222 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000377886767 458564857 /nfs/dbraw/zinc/56/48/57/458564857.db2.gz AVTDZGBGKZMNJX-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000377886767 458564858 /nfs/dbraw/zinc/56/48/58/458564858.db2.gz AVTDZGBGKZMNJX-SNVBAGLBSA-N 2 2 326.263 3.234 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337298 458558959 /nfs/dbraw/zinc/55/89/59/458558959.db2.gz MVKVQLPHYSGUSM-XMCHAPAWSA-N 2 2 326.484 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337298 458558964 /nfs/dbraw/zinc/55/89/64/458558964.db2.gz MVKVQLPHYSGUSM-XMCHAPAWSA-N 2 2 326.484 3.461 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000469223053 458560478 /nfs/dbraw/zinc/56/04/78/458560478.db2.gz YOMIBKMRIVOERG-HUBLWGQQSA-N 2 2 341.293 3.449 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000469223053 458560485 /nfs/dbraw/zinc/56/04/85/458560485.db2.gz YOMIBKMRIVOERG-HUBLWGQQSA-N 2 2 341.293 3.449 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377887443 458564262 /nfs/dbraw/zinc/56/42/62/458564262.db2.gz FMXGMTSPYOPQFS-CYBMUJFWSA-N 2 2 335.835 3.080 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1OC ZINC000377887443 458564268 /nfs/dbraw/zinc/56/42/68/458564268.db2.gz FMXGMTSPYOPQFS-CYBMUJFWSA-N 2 2 335.835 3.080 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Br ZINC000377890314 458566468 /nfs/dbraw/zinc/56/64/68/458566468.db2.gz UIBGVALGMABPGM-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Br ZINC000377890314 458566473 /nfs/dbraw/zinc/56/64/73/458566473.db2.gz UIBGVALGMABPGM-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP C[C@H](CCC1CC1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000469782200 458591228 /nfs/dbraw/zinc/59/12/28/458591228.db2.gz YGIPBIBDHQVZHM-OAHLLOKOSA-N 2 2 342.487 3.428 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000493938005 458604168 /nfs/dbraw/zinc/60/41/68/458604168.db2.gz VGZDJBXKNLPYRF-JSXRDJHFSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000493938005 458604172 /nfs/dbraw/zinc/60/41/72/458604172.db2.gz VGZDJBXKNLPYRF-JSXRDJHFSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000493938004 458604409 /nfs/dbraw/zinc/60/44/09/458604409.db2.gz VGZDJBXKNLPYRF-DOIPELPJSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000493938004 458604415 /nfs/dbraw/zinc/60/44/15/458604415.db2.gz VGZDJBXKNLPYRF-DOIPELPJSA-N 2 2 340.511 3.371 20 0 EGADLP CC(C)(C)c1csc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)n1 ZINC000424293639 458606106 /nfs/dbraw/zinc/60/61/06/458606106.db2.gz PIUBADUPWUQSKD-UHFFFAOYSA-N 2 2 345.516 3.077 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286211 458643303 /nfs/dbraw/zinc/64/33/03/458643303.db2.gz XAMOAJFQANHHOT-SJLPKXTDSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286211 458643308 /nfs/dbraw/zinc/64/33/08/458643308.db2.gz XAMOAJFQANHHOT-SJLPKXTDSA-N 2 2 334.504 3.407 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000456391188 458660174 /nfs/dbraw/zinc/66/01/74/458660174.db2.gz PKUVYQJPFYDLRD-SWLSCSKDSA-N 2 2 334.851 3.037 20 0 EGADLP C[NH+](C)CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000463126875 458678594 /nfs/dbraw/zinc/67/85/94/458678594.db2.gz VVJMUESUAAWCRZ-OAHLLOKOSA-N 3 2 337.474 3.359 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000439695349 458741742 /nfs/dbraw/zinc/74/17/42/458741742.db2.gz LCASUHATKORCIA-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000439695349 458741749 /nfs/dbraw/zinc/74/17/49/458741749.db2.gz LCASUHATKORCIA-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)c1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000432780511 458784040 /nfs/dbraw/zinc/78/40/40/458784040.db2.gz OCARECYCESPMDZ-UHFFFAOYSA-N 2 2 333.524 3.190 20 0 EGADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c1C ZINC000473148014 458821847 /nfs/dbraw/zinc/82/18/47/458821847.db2.gz YLAMWQKDXNADDJ-SFHVURJKSA-N 2 2 341.499 3.329 20 0 EGADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c1C ZINC000473148014 458821850 /nfs/dbraw/zinc/82/18/50/458821850.db2.gz YLAMWQKDXNADDJ-SFHVURJKSA-N 2 2 341.499 3.329 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000518269398 458852080 /nfs/dbraw/zinc/85/20/80/458852080.db2.gz DLEULLMCKFQVEX-CQSZACIVSA-N 2 2 331.287 3.440 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000518269398 458852085 /nfs/dbraw/zinc/85/20/85/458852085.db2.gz DLEULLMCKFQVEX-CQSZACIVSA-N 2 2 331.287 3.440 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)c1 ZINC000531109589 458873298 /nfs/dbraw/zinc/87/32/98/458873298.db2.gz ZTHZGBADUOEPHO-UHFFFAOYSA-N 2 2 349.837 3.247 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441351065 458924446 /nfs/dbraw/zinc/92/44/46/458924446.db2.gz WAKNWLFDJZUDRJ-ROUUACIJSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441351065 458924451 /nfs/dbraw/zinc/92/44/51/458924451.db2.gz WAKNWLFDJZUDRJ-ROUUACIJSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441351065 458924454 /nfs/dbraw/zinc/92/44/54/458924454.db2.gz WAKNWLFDJZUDRJ-ROUUACIJSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441351065 458924459 /nfs/dbraw/zinc/92/44/59/458924459.db2.gz WAKNWLFDJZUDRJ-ROUUACIJSA-N 2 2 325.541 3.124 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000466889966 458930505 /nfs/dbraw/zinc/93/05/05/458930505.db2.gz FSPNGRGBJQGUJR-VLCRHTCISA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000466889966 458930511 /nfs/dbraw/zinc/93/05/11/458930511.db2.gz FSPNGRGBJQGUJR-VLCRHTCISA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466905646 458932041 /nfs/dbraw/zinc/93/20/41/458932041.db2.gz HHLWEIMJONQWHK-YUXAGFNASA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466905646 458932045 /nfs/dbraw/zinc/93/20/45/458932045.db2.gz HHLWEIMJONQWHK-YUXAGFNASA-N 2 2 338.495 3.151 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000556326243 458949613 /nfs/dbraw/zinc/94/96/13/458949613.db2.gz FACSFXORTGENEK-UHFFFAOYSA-N 2 2 340.402 3.102 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556573483 458973778 /nfs/dbraw/zinc/97/37/78/458973778.db2.gz KICSHNMOEGZHRX-SJORKVTESA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556573483 458973784 /nfs/dbraw/zinc/97/37/84/458973784.db2.gz KICSHNMOEGZHRX-SJORKVTESA-N 2 2 344.421 3.245 20 0 EGADLP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000531952618 459006626 /nfs/dbraw/zinc/00/66/26/459006626.db2.gz ZBFBVHFWUAIWEX-MJGOQNOKSA-N 2 2 332.488 3.066 20 0 EGADLP Fc1c(Br)cccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000577349004 459020037 /nfs/dbraw/zinc/02/00/37/459020037.db2.gz WBZKTUGTOFZUDT-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000556952708 459036521 /nfs/dbraw/zinc/03/65/21/459036521.db2.gz MPMCMIYVSVMMHX-LIRRHRJNSA-N 2 2 341.430 3.019 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1sccc1Br ZINC000532194123 459044957 /nfs/dbraw/zinc/04/49/57/459044957.db2.gz LVNXISONPPKFLM-LLVKDONJSA-N 2 2 335.311 3.130 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1sccc1Br ZINC000532194123 459044965 /nfs/dbraw/zinc/04/49/65/459044965.db2.gz LVNXISONPPKFLM-LLVKDONJSA-N 2 2 335.311 3.130 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C[NH3+])c1ccc3ccccc3c1)CO2 ZINC000577740071 459086177 /nfs/dbraw/zinc/08/61/77/459086177.db2.gz AUULPKGJVZGOMF-FPOVZHCZSA-N 2 2 348.446 3.442 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000520833275 459098792 /nfs/dbraw/zinc/09/87/92/459098792.db2.gz UBSKQWXLTTWHHH-XLIONFOSSA-N 2 2 330.447 3.012 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000520833275 459098795 /nfs/dbraw/zinc/09/87/95/459098795.db2.gz UBSKQWXLTTWHHH-XLIONFOSSA-N 2 2 330.447 3.012 20 0 EGADLP Cc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000567456307 459109226 /nfs/dbraw/zinc/10/92/26/459109226.db2.gz HZQLJXLITKWSQL-DLBZAZTESA-N 2 2 326.444 3.009 20 0 EGADLP Cc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000567456307 459109232 /nfs/dbraw/zinc/10/92/32/459109232.db2.gz HZQLJXLITKWSQL-DLBZAZTESA-N 2 2 326.444 3.009 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H]([NH2+]C(C)C)C3)cc2)n1 ZINC000594749112 459151003 /nfs/dbraw/zinc/15/10/03/459151003.db2.gz UPQSKRHADIJDEF-IBGZPJMESA-N 2 2 326.488 3.452 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([NH2+]C(C)C)C3)cc2)n1 ZINC000594749112 459151009 /nfs/dbraw/zinc/15/10/09/459151009.db2.gz UPQSKRHADIJDEF-IBGZPJMESA-N 2 2 326.488 3.452 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000533039015 459179420 /nfs/dbraw/zinc/17/94/20/459179420.db2.gz IKWHOLACKYPQRK-HNNXBMFYSA-N 2 2 335.455 3.273 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000533039015 459179423 /nfs/dbraw/zinc/17/94/23/459179423.db2.gz IKWHOLACKYPQRK-HNNXBMFYSA-N 2 2 335.455 3.273 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)N1CCCCC1 ZINC000481164876 459235838 /nfs/dbraw/zinc/23/58/38/459235838.db2.gz AWBSGPOGXZPPBY-RLLQIKCJSA-N 2 2 345.531 3.152 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCCCC1 ZINC000481164876 459235844 /nfs/dbraw/zinc/23/58/44/459235844.db2.gz AWBSGPOGXZPPBY-RLLQIKCJSA-N 2 2 345.531 3.152 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867164 459274370 /nfs/dbraw/zinc/27/43/70/459274370.db2.gz SPMWKDJPVAUITJ-MRXNPFEDSA-N 2 2 338.480 3.457 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000533867164 459274375 /nfs/dbraw/zinc/27/43/75/459274375.db2.gz SPMWKDJPVAUITJ-MRXNPFEDSA-N 2 2 338.480 3.457 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559762891 459276044 /nfs/dbraw/zinc/27/60/44/459276044.db2.gz OZHXDOIAKJGEMJ-KRWDZBQOSA-N 2 2 342.405 3.392 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000559762891 459276048 /nfs/dbraw/zinc/27/60/48/459276048.db2.gz OZHXDOIAKJGEMJ-KRWDZBQOSA-N 2 2 342.405 3.392 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000559905749 459284902 /nfs/dbraw/zinc/28/49/02/459284902.db2.gz ZMYKMXAKJHARKJ-NHCUHLMSSA-N 2 2 340.515 3.408 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000559905749 459284910 /nfs/dbraw/zinc/28/49/10/459284910.db2.gz ZMYKMXAKJHARKJ-NHCUHLMSSA-N 2 2 340.515 3.408 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000482156239 459294822 /nfs/dbraw/zinc/29/48/22/459294822.db2.gz KLZHRKFVHXUOHJ-DOTOQJQBSA-N 2 2 336.476 3.365 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082098 459310872 /nfs/dbraw/zinc/31/08/72/459310872.db2.gz JWBAJLKOFWWUSJ-OAHLLOKOSA-N 2 2 344.484 3.271 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082098 459310875 /nfs/dbraw/zinc/31/08/75/459310875.db2.gz JWBAJLKOFWWUSJ-OAHLLOKOSA-N 2 2 344.484 3.271 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772931 459318608 /nfs/dbraw/zinc/31/86/08/459318608.db2.gz GVXSUUCMSVNTQJ-CVEARBPZSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772931 459318612 /nfs/dbraw/zinc/31/86/12/459318612.db2.gz GVXSUUCMSVNTQJ-CVEARBPZSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000568728921 459334920 /nfs/dbraw/zinc/33/49/20/459334920.db2.gz IUUUSFJODOUXBY-CEWLAPEOSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000568728921 459334922 /nfs/dbraw/zinc/33/49/22/459334922.db2.gz IUUUSFJODOUXBY-CEWLAPEOSA-N 2 2 330.516 3.210 20 0 EGADLP C[NH+](C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901182 459364502 /nfs/dbraw/zinc/36/45/02/459364502.db2.gz OMVSQQKAAUBDKL-HRCADAONSA-N 2 2 329.410 3.168 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@H](C)C1 ZINC000560581234 459376825 /nfs/dbraw/zinc/37/68/25/459376825.db2.gz GNZWVEGMDWYDNH-TZMCWYRMSA-N 2 2 346.393 3.414 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(OC)cccc2OC(F)(F)F)[C@H](C)C1 ZINC000560581234 459376831 /nfs/dbraw/zinc/37/68/31/459376831.db2.gz GNZWVEGMDWYDNH-TZMCWYRMSA-N 2 2 346.393 3.414 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(Cl)c(F)c1 ZINC000483924231 459397027 /nfs/dbraw/zinc/39/70/27/459397027.db2.gz GMCRYCRSTDAOQY-KGLIPLIRSA-N 2 2 326.843 3.417 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(Cl)c(F)c1 ZINC000483924231 459397033 /nfs/dbraw/zinc/39/70/33/459397033.db2.gz GMCRYCRSTDAOQY-KGLIPLIRSA-N 2 2 326.843 3.417 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000483924231 459397041 /nfs/dbraw/zinc/39/70/41/459397041.db2.gz GMCRYCRSTDAOQY-KGLIPLIRSA-N 2 2 326.843 3.417 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000483924231 459397045 /nfs/dbraw/zinc/39/70/45/459397045.db2.gz GMCRYCRSTDAOQY-KGLIPLIRSA-N 2 2 326.843 3.417 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000560936546 459406432 /nfs/dbraw/zinc/40/64/32/459406432.db2.gz HDLYCNZICKQFHN-HNNXBMFYSA-N 2 2 332.492 3.040 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000560936546 459406435 /nfs/dbraw/zinc/40/64/35/459406435.db2.gz HDLYCNZICKQFHN-HNNXBMFYSA-N 2 2 332.492 3.040 20 0 EGADLP Cc1ccccc1[C@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331177 459432947 /nfs/dbraw/zinc/43/29/47/459432947.db2.gz KRLDLWPPZMGMJB-FXAWDEMLSA-N 2 2 328.431 3.250 20 0 EGADLP Cc1ccccc1[C@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331177 459432951 /nfs/dbraw/zinc/43/29/51/459432951.db2.gz KRLDLWPPZMGMJB-FXAWDEMLSA-N 2 2 328.431 3.250 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469099 459457234 /nfs/dbraw/zinc/45/72/34/459457234.db2.gz NBYWKOLKHBTJHZ-WOJBJXKFSA-N 2 2 348.437 3.151 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469099 459457238 /nfs/dbraw/zinc/45/72/38/459457238.db2.gz NBYWKOLKHBTJHZ-WOJBJXKFSA-N 2 2 348.437 3.151 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495583 459461861 /nfs/dbraw/zinc/46/18/61/459461861.db2.gz HHPATHVIQKDGSI-CVEARBPZSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000569495583 459461867 /nfs/dbraw/zinc/46/18/67/459461867.db2.gz HHPATHVIQKDGSI-CVEARBPZSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000569622449 459482739 /nfs/dbraw/zinc/48/27/39/459482739.db2.gz IWFYIHAFBUYIHI-JKSUJKDBSA-N 2 2 335.467 3.253 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000561781973 459484548 /nfs/dbraw/zinc/48/45/48/459484548.db2.gz JFLVNCOYYVZLEW-KCITZHQASA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000561781973 459484555 /nfs/dbraw/zinc/48/45/55/459484555.db2.gz JFLVNCOYYVZLEW-KCITZHQASA-N 2 2 332.488 3.074 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccn(C)n1 ZINC000541744107 459486146 /nfs/dbraw/zinc/48/61/46/459486146.db2.gz CBZSKYPOCQCCKJ-SFHVURJKSA-N 2 2 330.451 3.265 20 0 EGADLP CCOC(=O)CC(C)(C)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000561866955 459487782 /nfs/dbraw/zinc/48/77/82/459487782.db2.gz LRRNRJDALSCJCJ-UHFFFAOYSA-N 2 2 333.476 3.327 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]CCCn2cc[nH+]c2)c1F ZINC000527629964 459677470 /nfs/dbraw/zinc/67/74/70/459677470.db2.gz SXVINTQKKFQLBR-UHFFFAOYSA-N 2 2 330.176 3.104 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000527638565 459680217 /nfs/dbraw/zinc/68/02/17/459680217.db2.gz VMMHWKPJKPLOKW-RYUDHWBXSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1F ZINC000527638565 459680220 /nfs/dbraw/zinc/68/02/20/459680220.db2.gz VMMHWKPJKPLOKW-RYUDHWBXSA-N 2 2 345.231 3.444 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527804902 459741643 /nfs/dbraw/zinc/74/16/43/459741643.db2.gz CMSONUJPHIBCKP-SFHVURJKSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527804902 459741648 /nfs/dbraw/zinc/74/16/48/459741648.db2.gz CMSONUJPHIBCKP-SFHVURJKSA-N 2 2 335.536 3.020 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000563270846 459751747 /nfs/dbraw/zinc/75/17/47/459751747.db2.gz CUFSDXKADRJCJO-NRFANRHFSA-N 2 2 340.515 3.299 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000563270846 459751750 /nfs/dbraw/zinc/75/17/50/459751750.db2.gz CUFSDXKADRJCJO-NRFANRHFSA-N 2 2 340.515 3.299 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000527998524 459791524 /nfs/dbraw/zinc/79/15/24/459791524.db2.gz IPRYELDGRQKSBW-CDHQVMDDSA-N 2 2 341.499 3.183 20 0 EGADLP COC(=O)[C@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000566055066 459799325 /nfs/dbraw/zinc/79/93/25/459799325.db2.gz KZOQOAMWVIAQRX-HXUWFJFHSA-N 2 2 330.472 3.104 20 0 EGADLP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)CC2 ZINC000574284931 459802606 /nfs/dbraw/zinc/80/26/06/459802606.db2.gz YGKKUSWXIFAMGD-CQSZACIVSA-N 2 2 346.862 3.108 20 0 EGADLP COC(=O)CC[N@H+](CCc1cc[nH+]cc1C)Cc1ccc(F)c(F)c1 ZINC000566156869 459816516 /nfs/dbraw/zinc/81/65/16/459816516.db2.gz NPPDYPUYULVLOW-UHFFFAOYSA-N 2 2 348.393 3.276 20 0 EGADLP COC(=O)CC[N@@H+](CCc1cc[nH+]cc1C)Cc1ccc(F)c(F)c1 ZINC000566156869 459816520 /nfs/dbraw/zinc/81/65/20/459816520.db2.gz NPPDYPUYULVLOW-UHFFFAOYSA-N 2 2 348.393 3.276 20 0 EGADLP CC[C@H]1Oc2cc([C@H](C)[NH2+]CCc3cc[nH+]cc3C)ccc2NC1=O ZINC000575284596 459957667 /nfs/dbraw/zinc/95/76/67/459957667.db2.gz UKATYGDZUPYCNL-KBXCAEBGSA-N 2 2 339.439 3.393 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687131 459967271 /nfs/dbraw/zinc/96/72/71/459967271.db2.gz KPTRTAMHRPQALA-CRAIPNDOSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687131 459967275 /nfs/dbraw/zinc/96/72/75/459967275.db2.gz KPTRTAMHRPQALA-CRAIPNDOSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687131 459967277 /nfs/dbraw/zinc/96/72/77/459967277.db2.gz KPTRTAMHRPQALA-CRAIPNDOSA-N 2 2 348.437 3.451 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687131 459967281 /nfs/dbraw/zinc/96/72/81/459967281.db2.gz KPTRTAMHRPQALA-CRAIPNDOSA-N 2 2 348.437 3.451 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)[nH]1 ZINC000602505099 459972281 /nfs/dbraw/zinc/97/22/81/459972281.db2.gz SHIJVBSIGDACKB-MRXNPFEDSA-N 2 2 347.484 3.180 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1 ZINC000575865242 460020727 /nfs/dbraw/zinc/02/07/27/460020727.db2.gz UQHPSSJNROCFQP-UHFFFAOYSA-N 2 2 333.524 3.027 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000589206609 460054991 /nfs/dbraw/zinc/05/49/91/460054991.db2.gz WGTAYKLCJFLSOE-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000589206609 460054996 /nfs/dbraw/zinc/05/49/96/460054996.db2.gz WGTAYKLCJFLSOE-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000589206609 460055001 /nfs/dbraw/zinc/05/50/01/460055001.db2.gz WGTAYKLCJFLSOE-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000589206609 460055007 /nfs/dbraw/zinc/05/50/07/460055007.db2.gz WGTAYKLCJFLSOE-WMLDXEAASA-N 2 2 336.863 3.043 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576122733 460076026 /nfs/dbraw/zinc/07/60/26/460076026.db2.gz LMOUSNPPKKOTCS-FXAWDEMLSA-N 2 2 334.479 3.334 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576122733 460076031 /nfs/dbraw/zinc/07/60/31/460076031.db2.gz LMOUSNPPKKOTCS-FXAWDEMLSA-N 2 2 334.479 3.334 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402209 460134109 /nfs/dbraw/zinc/13/41/09/460134109.db2.gz CLVRFKHDSSSAPT-GOSISDBHSA-N 3 2 335.561 3.296 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402209 460134118 /nfs/dbraw/zinc/13/41/18/460134118.db2.gz CLVRFKHDSSSAPT-GOSISDBHSA-N 3 2 335.561 3.296 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402209 460134125 /nfs/dbraw/zinc/13/41/25/460134125.db2.gz CLVRFKHDSSSAPT-GOSISDBHSA-N 3 2 335.561 3.296 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402209 460134132 /nfs/dbraw/zinc/13/41/32/460134132.db2.gz CLVRFKHDSSSAPT-GOSISDBHSA-N 3 2 335.561 3.296 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000599030294 460134280 /nfs/dbraw/zinc/13/42/80/460134280.db2.gz KFQLHPHIOZJIRG-KTLDDFEXSA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599030294 460134283 /nfs/dbraw/zinc/13/42/83/460134283.db2.gz KFQLHPHIOZJIRG-KTLDDFEXSA-N 2 2 344.499 3.361 20 0 EGADLP CC[N@H+](Cc1occc1C(=O)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658600 460300657 /nfs/dbraw/zinc/30/06/57/460300657.db2.gz UEDIGFPIHIRFQY-UHFFFAOYSA-N 2 2 330.428 3.150 20 0 EGADLP CC[N@@H+](Cc1occc1C(=O)OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658600 460300660 /nfs/dbraw/zinc/30/06/60/460300660.db2.gz UEDIGFPIHIRFQY-UHFFFAOYSA-N 2 2 330.428 3.150 20 0 EGADLP CC(C)(C)OC(=O)CCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000611367506 460346404 /nfs/dbraw/zinc/34/64/04/460346404.db2.gz HTLFGSOWGQUDNV-UHFFFAOYSA-N 2 2 333.476 3.152 20 0 EGADLP Cc1cccc2[nH]c(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)cc21 ZINC000628452668 460417357 /nfs/dbraw/zinc/41/73/57/460417357.db2.gz AGJMFLBSUOBMJS-UHFFFAOYSA-N 2 2 327.472 3.163 20 0 EGADLP COc1cccc2c1C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000628462060 460422456 /nfs/dbraw/zinc/42/24/56/460422456.db2.gz DAEHXWKPCJCDIG-UHFFFAOYSA-N 2 2 326.440 3.151 20 0 EGADLP COc1cccc2c1C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000628462060 460422464 /nfs/dbraw/zinc/42/24/64/460422464.db2.gz DAEHXWKPCJCDIG-UHFFFAOYSA-N 2 2 326.440 3.151 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000628476076 460430752 /nfs/dbraw/zinc/43/07/52/460430752.db2.gz BBVBSZGNSSCKCZ-SFHVURJKSA-N 2 2 344.499 3.130 20 0 EGADLP O[C@]1(C[N@@H+]2CC[C@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646826 460457204 /nfs/dbraw/zinc/45/72/04/460457204.db2.gz LWUWOGQSFZZCDZ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[N@H+]2CC[C@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)C1 ZINC000634646826 460457207 /nfs/dbraw/zinc/45/72/07/460457207.db2.gz LWUWOGQSFZZCDZ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634646826 460457212 /nfs/dbraw/zinc/45/72/12/460457212.db2.gz LWUWOGQSFZZCDZ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634646826 460457219 /nfs/dbraw/zinc/45/72/19/460457219.db2.gz LWUWOGQSFZZCDZ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000604771502 460478030 /nfs/dbraw/zinc/47/80/30/460478030.db2.gz AMOWGTBZQSOKIC-RDTXWAMCSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000604771502 460478034 /nfs/dbraw/zinc/47/80/34/460478034.db2.gz AMOWGTBZQSOKIC-RDTXWAMCSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2csc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000623344868 460500862 /nfs/dbraw/zinc/50/08/62/460500862.db2.gz GVPKQQYILCPPSQ-TXEJJXNPSA-N 2 2 336.423 3.356 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)ncc1Br ZINC000623364157 460511027 /nfs/dbraw/zinc/51/10/27/460511027.db2.gz WBWKLWUYKQLNAD-CYBMUJFWSA-N 2 2 340.309 3.364 20 0 EGADLP CCc1cc(N2CCC[C@@H](C)[C@H]2CC[NH3+])nc(-c2ccncc2)[nH+]1 ZINC000634811551 460532608 /nfs/dbraw/zinc/53/26/08/460532608.db2.gz JAQSVSAFQIHRJL-RHSMWYFYSA-N 2 2 325.460 3.055 20 0 EGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629511635 460788854 /nfs/dbraw/zinc/78/88/54/460788854.db2.gz LGMBGYWSUXXMJW-JTQLQIEISA-N 2 2 326.227 3.429 20 0 EGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC000629511635 460788856 /nfs/dbraw/zinc/78/88/56/460788856.db2.gz LGMBGYWSUXXMJW-JTQLQIEISA-N 2 2 326.227 3.429 20 0 EGADLP Cc1cn2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2[nH+]1 ZINC000635448013 460790147 /nfs/dbraw/zinc/79/01/47/460790147.db2.gz VHEHUMYZWPDAKB-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000607152096 460799911 /nfs/dbraw/zinc/79/99/11/460799911.db2.gz AXUNLKSZKOPUFN-INIZCTEOSA-N 2 2 348.878 3.395 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000607152096 460799915 /nfs/dbraw/zinc/79/99/15/460799915.db2.gz AXUNLKSZKOPUFN-INIZCTEOSA-N 2 2 348.878 3.395 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000629559320 460807513 /nfs/dbraw/zinc/80/75/13/460807513.db2.gz ASRIXFJWPAWCMD-MNOVXSKESA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@@H]1C(F)(F)F ZINC000629559320 460807515 /nfs/dbraw/zinc/80/75/15/460807515.db2.gz ASRIXFJWPAWCMD-MNOVXSKESA-N 2 2 329.391 3.255 20 0 EGADLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccc2ccccc21 ZINC000624125801 460874080 /nfs/dbraw/zinc/87/40/80/460874080.db2.gz NUYOQNPDRHGQEB-JOCHJYFZSA-N 2 2 347.462 3.308 20 0 EGADLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccc2ccccc21 ZINC000624125801 460874084 /nfs/dbraw/zinc/87/40/84/460874084.db2.gz NUYOQNPDRHGQEB-JOCHJYFZSA-N 2 2 347.462 3.308 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc([C@H]3COCC[NH2+]3)cc2)c1 ZINC000629731442 460893883 /nfs/dbraw/zinc/89/38/83/460893883.db2.gz JZRKHEWWXLFESF-HXUWFJFHSA-N 2 2 337.398 3.398 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000613309106 460903698 /nfs/dbraw/zinc/90/36/98/460903698.db2.gz GVLCHHKTTBRNJT-IBGZPJMESA-N 2 2 337.467 3.454 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000613309106 460903703 /nfs/dbraw/zinc/90/37/03/460903703.db2.gz GVLCHHKTTBRNJT-IBGZPJMESA-N 2 2 337.467 3.454 20 0 EGADLP C[NH+](C)CC1(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000635889446 460965114 /nfs/dbraw/zinc/96/51/14/460965114.db2.gz UROGUSFOMSCRRC-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185101 461037785 /nfs/dbraw/zinc/03/77/85/461037785.db2.gz LJHRUGVXIHHFPH-AWEZNQCLSA-N 2 2 325.447 3.195 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000628185101 461037789 /nfs/dbraw/zinc/03/77/89/461037789.db2.gz LJHRUGVXIHHFPH-AWEZNQCLSA-N 2 2 325.447 3.195 20 0 EGADLP CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000633589444 461141627 /nfs/dbraw/zinc/14/16/27/461141627.db2.gz JRWASVJDYOAHQH-UHFFFAOYSA-N 2 2 326.444 3.023 20 0 EGADLP CCc1nc([C@@H]2CCCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662253005 461143911 /nfs/dbraw/zinc/14/39/11/461143911.db2.gz FXWAUWUVAADVIU-KRWDZBQOSA-N 2 2 326.444 3.005 20 0 EGADLP CCc1nc([C@@H]2CCCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)no1 ZINC000662253005 461143918 /nfs/dbraw/zinc/14/39/18/461143918.db2.gz FXWAUWUVAADVIU-KRWDZBQOSA-N 2 2 326.444 3.005 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1CC[NH3+] ZINC000652353432 461148114 /nfs/dbraw/zinc/14/81/14/461148114.db2.gz IXHDMOJGHYFIOI-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1CC[NH3+] ZINC000652353432 461148119 /nfs/dbraw/zinc/14/81/19/461148119.db2.gz IXHDMOJGHYFIOI-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1CC[NH3+] ZINC000652355802 461149362 /nfs/dbraw/zinc/14/93/62/461149362.db2.gz HXWMVAUPCVJLTP-SUMWQHHRSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@@H]1CC[NH3+] ZINC000652355802 461149368 /nfs/dbraw/zinc/14/93/68/461149368.db2.gz HXWMVAUPCVJLTP-SUMWQHHRSA-N 2 2 334.414 3.100 20 0 EGADLP CCCn1nccc1C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000668171042 461157055 /nfs/dbraw/zinc/15/70/55/461157055.db2.gz DJAQOIOXBAZAJP-UHFFFAOYSA-N 2 2 326.488 3.390 20 0 EGADLP CCCn1nccc1C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000668171042 461157060 /nfs/dbraw/zinc/15/70/60/461157060.db2.gz DJAQOIOXBAZAJP-UHFFFAOYSA-N 2 2 326.488 3.390 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364009 461157567 /nfs/dbraw/zinc/15/75/67/461157567.db2.gz UXFYVVBAYVTBLK-KCXAZCMYSA-N 2 2 344.286 3.249 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364009 461157582 /nfs/dbraw/zinc/15/75/82/461157582.db2.gz UXFYVVBAYVTBLK-KCXAZCMYSA-N 2 2 344.286 3.249 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000668172851 461159428 /nfs/dbraw/zinc/15/94/28/461159428.db2.gz VERWVCFYITWFAR-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000668172851 461159434 /nfs/dbraw/zinc/15/94/34/461159434.db2.gz VERWVCFYITWFAR-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000668172851 461159441 /nfs/dbraw/zinc/15/94/41/461159441.db2.gz VERWVCFYITWFAR-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000668172851 461159447 /nfs/dbraw/zinc/15/94/47/461159447.db2.gz VERWVCFYITWFAR-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000662276670 461159906 /nfs/dbraw/zinc/15/99/06/461159906.db2.gz OHAFTAKMZAUMNO-DOMZBBRYSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000662276670 461159927 /nfs/dbraw/zinc/15/99/27/461159927.db2.gz OHAFTAKMZAUMNO-DOMZBBRYSA-N 2 2 328.378 3.391 20 0 EGADLP Brc1c2ccccc2oc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662273892 461160461 /nfs/dbraw/zinc/16/04/61/461160461.db2.gz QJPSAOXXLKCCHN-YPMHNXCESA-N 2 2 335.245 3.379 20 0 EGADLP Brc1c2ccccc2oc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662273892 461160471 /nfs/dbraw/zinc/16/04/71/461160471.db2.gz QJPSAOXXLKCCHN-YPMHNXCESA-N 2 2 335.245 3.379 20 0 EGADLP CC[C@H](C)[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983382 461172337 /nfs/dbraw/zinc/17/23/37/461172337.db2.gz NXXHBCCYTYDFAL-PXNSSMCTSA-N 2 2 333.520 3.081 20 0 EGADLP CC[C@H](C)[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983382 461172347 /nfs/dbraw/zinc/17/23/47/461172347.db2.gz NXXHBCCYTYDFAL-PXNSSMCTSA-N 2 2 333.520 3.081 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1cc(CO)cc[nH+]1 ZINC000641392358 461236958 /nfs/dbraw/zinc/23/69/58/461236958.db2.gz FKWCFSQADYXDKF-UHFFFAOYSA-N 2 2 337.423 3.411 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cc(CO)cc[nH+]1 ZINC000641392358 461236966 /nfs/dbraw/zinc/23/69/66/461236966.db2.gz FKWCFSQADYXDKF-UHFFFAOYSA-N 2 2 337.423 3.411 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2[nH+]1 ZINC000655444314 461254900 /nfs/dbraw/zinc/25/49/00/461254900.db2.gz AWPZCSVZPURUGB-IFXJQAMLSA-N 2 2 326.444 3.234 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638124194 461258643 /nfs/dbraw/zinc/25/86/43/461258643.db2.gz UIVKLZCVSLBVIB-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638124194 461258651 /nfs/dbraw/zinc/25/86/51/461258651.db2.gz UIVKLZCVSLBVIB-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000646476470 461286621 /nfs/dbraw/zinc/28/66/21/461286621.db2.gz SBOAJLLMJTYDIW-RDTXWAMCSA-N 2 2 325.412 3.039 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@@H](C[NH3+])CC(C)C)ccc2n1C1CC1 ZINC000662547474 461293115 /nfs/dbraw/zinc/29/31/15/461293115.db2.gz VZOJTKBUPSZXMY-INIZCTEOSA-N 2 2 342.487 3.307 20 0 EGADLP CCC[NH+]1CCC(N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630802253 461326265 /nfs/dbraw/zinc/32/62/65/461326265.db2.gz NJVLGWRGCILNHX-UHFFFAOYSA-N 2 2 326.444 3.023 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000641728378 461339821 /nfs/dbraw/zinc/33/98/21/461339821.db2.gz QZPJCFLAHDICRV-HOCLYGCPSA-N 2 2 326.506 3.228 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC)o2)[C@@H](C)C1 ZINC000641728378 461339828 /nfs/dbraw/zinc/33/98/28/461339828.db2.gz QZPJCFLAHDICRV-HOCLYGCPSA-N 2 2 326.506 3.228 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)o2)cc1 ZINC000655686729 461361603 /nfs/dbraw/zinc/36/16/03/461361603.db2.gz BNVZDAJIEOQTGD-GOSISDBHSA-N 2 2 344.430 3.429 20 0 EGADLP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655688259 461364543 /nfs/dbraw/zinc/36/45/43/461364543.db2.gz STKGKFIXASKTIF-YOEHRIQHSA-N 2 2 336.476 3.206 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1(C)C ZINC000662756194 461365511 /nfs/dbraw/zinc/36/55/11/461365511.db2.gz IDTKBTLVHIUIFS-AEFFLSMTSA-N 2 2 346.519 3.408 20 0 EGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000668637158 461365907 /nfs/dbraw/zinc/36/59/07/461365907.db2.gz MGAJJEOPNFSMFB-GOSISDBHSA-N 2 2 348.450 3.228 20 0 EGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000668637158 461365912 /nfs/dbraw/zinc/36/59/12/461365912.db2.gz MGAJJEOPNFSMFB-GOSISDBHSA-N 2 2 348.450 3.228 20 0 EGADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668636339 461366058 /nfs/dbraw/zinc/36/60/58/461366058.db2.gz FPJMOEQWUTUHSC-GOSISDBHSA-N 2 2 334.423 3.152 20 0 EGADLP COc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655712842 461382291 /nfs/dbraw/zinc/38/22/91/461382291.db2.gz WRMHRDKCQASRJV-KRWDZBQOSA-N 2 2 338.879 3.082 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000668703333 461387304 /nfs/dbraw/zinc/38/73/04/461387304.db2.gz PCBAQEZODZHCRB-MRXNPFEDSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000668703333 461387308 /nfs/dbraw/zinc/38/73/08/461387308.db2.gz PCBAQEZODZHCRB-MRXNPFEDSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1Cl ZINC000655727653 461396183 /nfs/dbraw/zinc/39/61/83/461396183.db2.gz SSPGBUXWBVIMSW-IUODEOHRSA-N 2 2 326.843 3.383 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397944 /nfs/dbraw/zinc/39/79/44/461397944.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397951 /nfs/dbraw/zinc/39/79/51/461397951.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397955 /nfs/dbraw/zinc/39/79/55/461397955.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382203 461397963 /nfs/dbraw/zinc/39/79/63/461397963.db2.gz TWJDDKWPUBUWSB-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP Clc1cccc(CC2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000655773936 461437489 /nfs/dbraw/zinc/43/74/89/461437489.db2.gz LKOCAXDBZBJMDU-SFHVURJKSA-N 2 2 334.891 3.258 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000638455691 461438453 /nfs/dbraw/zinc/43/84/53/461438453.db2.gz YAWKMDGIXYRLRV-LEWJYISDSA-N 2 2 346.515 3.163 20 0 EGADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521584 461466820 /nfs/dbraw/zinc/46/68/20/461466820.db2.gz BYGAQHSJMQFDQZ-UXHICEINSA-N 2 2 338.536 3.062 20 0 EGADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521584 461466826 /nfs/dbraw/zinc/46/68/26/461466826.db2.gz BYGAQHSJMQFDQZ-UXHICEINSA-N 2 2 338.536 3.062 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CC1(C)C ZINC000666136167 461467421 /nfs/dbraw/zinc/46/74/21/461467421.db2.gz SGCOTIMAUWPABD-YYAJDYIMSA-N 2 2 344.503 3.029 20 0 EGADLP Cc1cccc(Oc2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653058282 461480497 /nfs/dbraw/zinc/48/04/97/461480497.db2.gz MHGGBESYGFZFNF-INIZCTEOSA-N 2 2 327.428 3.005 20 0 EGADLP CC[C@@H](CC(F)F)C[N@@H+]1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000659893738 461484789 /nfs/dbraw/zinc/48/47/89/461484789.db2.gz XRSIBOJMCQZGOV-HNNXBMFYSA-N 2 2 328.451 3.092 20 0 EGADLP CC[C@@H](CC(F)F)C[N@H+]1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000659893738 461484795 /nfs/dbraw/zinc/48/47/95/461484795.db2.gz XRSIBOJMCQZGOV-HNNXBMFYSA-N 2 2 328.451 3.092 20 0 EGADLP C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078005 461490615 /nfs/dbraw/zinc/49/06/15/461490615.db2.gz RJVJONJOUKGNSQ-QRWLVFNGSA-N 2 2 339.483 3.171 20 0 EGADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000653078790 461491190 /nfs/dbraw/zinc/49/11/90/461491190.db2.gz JVNSDJCJWDHNDW-GOEBONIOSA-N 2 2 331.460 3.011 20 0 EGADLP CCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000653081246 461492651 /nfs/dbraw/zinc/49/26/51/461492651.db2.gz IDXGOZWCCPRWLT-GJZGRUSLSA-N 2 2 346.302 3.230 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655849705 461495733 /nfs/dbraw/zinc/49/57/33/461495733.db2.gz YFESLIQABJFAEN-HZPDHXFCSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849705 461495742 /nfs/dbraw/zinc/49/57/42/461495742.db2.gz YFESLIQABJFAEN-HZPDHXFCSA-N 2 2 333.442 3.010 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000653087646 461495820 /nfs/dbraw/zinc/49/58/20/461495820.db2.gz BIZINWZYFUEICD-QGZVFWFLSA-N 2 2 329.469 3.055 20 0 EGADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000638602165 461499599 /nfs/dbraw/zinc/49/95/99/461499599.db2.gz SKKKXHWCRGAJBH-JFIYKMOQSA-N 2 2 331.504 3.153 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC2)ccn1 ZINC000655852227 461499767 /nfs/dbraw/zinc/49/97/67/461499767.db2.gz LBVYTWOTFMQSHY-IBGZPJMESA-N 2 2 329.488 3.127 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC000631048346 461501655 /nfs/dbraw/zinc/50/16/55/461501655.db2.gz XEJCBQWUNXUUQH-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537114 /nfs/dbraw/zinc/53/71/14/461537114.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 2 345.512 3.048 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537120 /nfs/dbraw/zinc/53/71/20/461537120.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 2 345.512 3.048 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537128 /nfs/dbraw/zinc/53/71/28/461537128.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 2 345.512 3.048 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1Sc2ccccc2NC1=O ZINC000659998902 461537135 /nfs/dbraw/zinc/53/71/35/461537135.db2.gz ZHTKWSNVRVLLRW-VKJFTORMSA-N 2 2 345.512 3.048 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000659999925 461539620 /nfs/dbraw/zinc/53/96/20/461539620.db2.gz ZSCSDUOWPULWOG-QGZVFWFLSA-N 2 2 342.468 3.023 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197652 461559848 /nfs/dbraw/zinc/55/98/48/461559848.db2.gz HEFZONJQLBVSIF-CVGURMSBSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197652 461559855 /nfs/dbraw/zinc/55/98/55/461559855.db2.gz HEFZONJQLBVSIF-CVGURMSBSA-N 2 2 326.843 3.239 20 0 EGADLP CO[C@@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCCC1 ZINC000638779460 461576682 /nfs/dbraw/zinc/57/66/82/461576682.db2.gz NOOXAMLQUBAIEB-IBGZPJMESA-N 2 2 346.519 3.229 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000660112294 461586583 /nfs/dbraw/zinc/58/65/83/461586583.db2.gz JOKHCUQDQFNHME-KURKYZTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C[C@@H]1n1cc[nH+]c1 ZINC000660112294 461586592 /nfs/dbraw/zinc/58/65/92/461586592.db2.gz JOKHCUQDQFNHME-KURKYZTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000638804501 461587805 /nfs/dbraw/zinc/58/78/05/461587805.db2.gz MPNMDRZDGDQASB-PVAVHDDUSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)(F)F ZINC000638804501 461587813 /nfs/dbraw/zinc/58/78/13/461587813.db2.gz MPNMDRZDGDQASB-PVAVHDDUSA-N 2 2 342.405 3.257 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cncc(Br)c3)cn21 ZINC000647262771 461598457 /nfs/dbraw/zinc/59/84/57/461598457.db2.gz OWQATAWJCYGUNS-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000631171258 461610421 /nfs/dbraw/zinc/61/04/21/461610421.db2.gz PFAVJKXCEMSLPG-RTBURBONSA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000631171258 461610426 /nfs/dbraw/zinc/61/04/26/461610426.db2.gz PFAVJKXCEMSLPG-RTBURBONSA-N 2 2 343.515 3.271 20 0 EGADLP COC[C@H]([NH2+]CCc1cn2c(cccc2C)[nH+]1)c1ccc(F)c(F)c1 ZINC000647363749 461659687 /nfs/dbraw/zinc/65/96/87/461659687.db2.gz IZXJLHZCSAOLQI-SFHVURJKSA-N 2 2 345.393 3.441 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000656252355 461674014 /nfs/dbraw/zinc/67/40/14/461674014.db2.gz TXBLWJAXEXCQEU-HNNXBMFYSA-N 2 2 332.879 3.218 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000656252355 461674018 /nfs/dbraw/zinc/67/40/18/461674018.db2.gz TXBLWJAXEXCQEU-HNNXBMFYSA-N 2 2 332.879 3.218 20 0 EGADLP CN(c1ccccc1CNc1cc2cc[nH]c2c[nH+]1)C1CC[NH+](C)CC1 ZINC000653500332 461676169 /nfs/dbraw/zinc/67/61/69/461676169.db2.gz OIJBJILNTFZKPG-UHFFFAOYSA-N 2 2 349.482 3.127 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1C ZINC000656260537 461683710 /nfs/dbraw/zinc/68/37/10/461683710.db2.gz QUHNRXMDCPDTRF-HXUWFJFHSA-N 2 2 340.471 3.154 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000656260884 461685886 /nfs/dbraw/zinc/68/58/86/461685886.db2.gz XUMJYEAPHBQEDM-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000656260884 461685896 /nfs/dbraw/zinc/68/58/96/461685896.db2.gz XUMJYEAPHBQEDM-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000656260884 461685905 /nfs/dbraw/zinc/68/59/05/461685905.db2.gz XUMJYEAPHBQEDM-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000656260884 461685917 /nfs/dbraw/zinc/68/59/17/461685917.db2.gz XUMJYEAPHBQEDM-HXUWFJFHSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2n1 ZINC000656281169 461703301 /nfs/dbraw/zinc/70/33/01/461703301.db2.gz PTVBQNMMFAEGMX-FQEVSTJZSA-N 2 2 339.483 3.230 20 0 EGADLP Cc1ccc2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2n1 ZINC000656281169 461703309 /nfs/dbraw/zinc/70/33/09/461703309.db2.gz PTVBQNMMFAEGMX-FQEVSTJZSA-N 2 2 339.483 3.230 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072641 461708381 /nfs/dbraw/zinc/70/83/81/461708381.db2.gz YFNQWQPKKVPABA-GGPKGHCWSA-N 3 2 336.483 3.156 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072641 461708386 /nfs/dbraw/zinc/70/83/86/461708386.db2.gz YFNQWQPKKVPABA-GGPKGHCWSA-N 3 2 336.483 3.156 20 0 EGADLP Cc1ncc([C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082197 461714556 /nfs/dbraw/zinc/71/45/56/461714556.db2.gz XVVRXYSFIOZWKI-LPHOPBHVSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082197 461714567 /nfs/dbraw/zinc/71/45/67/461714567.db2.gz XVVRXYSFIOZWKI-LPHOPBHVSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082197 461714573 /nfs/dbraw/zinc/71/45/73/461714573.db2.gz XVVRXYSFIOZWKI-LPHOPBHVSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082197 461714582 /nfs/dbraw/zinc/71/45/82/461714582.db2.gz XVVRXYSFIOZWKI-LPHOPBHVSA-N 2 2 339.487 3.003 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000639111844 461734187 /nfs/dbraw/zinc/73/41/87/461734187.db2.gz ZXIVYPQPBNBBTQ-UHFFFAOYSA-N 2 2 334.423 3.377 20 0 EGADLP Cc1cccn2c(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)c[nH+]c12 ZINC000647493814 461734426 /nfs/dbraw/zinc/73/44/26/461734426.db2.gz UFSVHOYNJNFYGP-IBGZPJMESA-N 2 2 334.467 3.397 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498475 461737108 /nfs/dbraw/zinc/73/71/08/461737108.db2.gz IESMQLXETJOJDN-ZFWWWQNUSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498475 461737117 /nfs/dbraw/zinc/73/71/17/461737117.db2.gz IESMQLXETJOJDN-ZFWWWQNUSA-N 2 2 326.868 3.307 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CCO[C@H]([C@H](C)[NH3+])C3)ccc21 ZINC000647508506 461740506 /nfs/dbraw/zinc/74/05/06/461740506.db2.gz POTSSRSWKNWNSE-BTYIYWSLSA-N 2 2 337.467 3.362 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@H+]3CCO[C@H]([C@H](C)[NH3+])C3)ccc21 ZINC000647508506 461740514 /nfs/dbraw/zinc/74/05/14/461740514.db2.gz POTSSRSWKNWNSE-BTYIYWSLSA-N 2 2 337.467 3.362 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480205 461741553 /nfs/dbraw/zinc/74/15/53/461741553.db2.gz FTOPEMDQMNLFQY-JOZSIVFUSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480205 461741559 /nfs/dbraw/zinc/74/15/59/461741559.db2.gz FTOPEMDQMNLFQY-JOZSIVFUSA-N 3 2 327.516 3.017 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000663669684 461746009 /nfs/dbraw/zinc/74/60/09/461746009.db2.gz CBPNXPUBAOOVJJ-INIZCTEOSA-N 2 2 325.460 3.388 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(Nc3ccccc3)[nH+]cn2)C1 ZINC000663669684 461746016 /nfs/dbraw/zinc/74/60/16/461746016.db2.gz CBPNXPUBAOOVJJ-INIZCTEOSA-N 2 2 325.460 3.388 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H](C)[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000643528792 461754303 /nfs/dbraw/zinc/75/43/03/461754303.db2.gz OXMQWSLRDJNEAB-UWVGGRQHSA-N 2 2 327.259 3.485 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H](C)[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000643528794 461754754 /nfs/dbraw/zinc/75/47/54/461754754.db2.gz OXMQWSLRDJNEAB-ZJUUUORDSA-N 2 2 327.259 3.485 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCCCn3cc[nH+]c3)ccc21 ZINC000653618896 461763651 /nfs/dbraw/zinc/76/36/51/461763651.db2.gz QHDNBQACZMIFPF-SFHVURJKSA-N 2 2 341.459 3.034 20 0 EGADLP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000656533695 461776654 /nfs/dbraw/zinc/77/66/54/461776654.db2.gz ZBVSWFLGBNCLKL-UHFFFAOYSA-N 2 2 348.450 3.424 20 0 EGADLP C[NH2+][C@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1cccc(Cl)c1Cl ZINC000656562232 461786519 /nfs/dbraw/zinc/78/65/19/461786519.db2.gz YVRVLLRFHRGGQX-JQWIXIFHSA-N 2 2 327.215 3.110 20 0 EGADLP CC[C@H](OCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472562 461798565 /nfs/dbraw/zinc/79/85/65/461798565.db2.gz GUALLHZDRKZNBL-SFTDATJTSA-N 2 2 346.515 3.341 20 0 EGADLP CC[C@H](OCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660472562 461798572 /nfs/dbraw/zinc/79/85/72/461798572.db2.gz GUALLHZDRKZNBL-SFTDATJTSA-N 2 2 346.515 3.341 20 0 EGADLP Clc1ccccc1CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476814 461800350 /nfs/dbraw/zinc/80/03/50/461800350.db2.gz FPDGSMQQGPJYPE-SFHVURJKSA-N 2 2 336.907 3.459 20 0 EGADLP Clc1ccccc1CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476814 461800357 /nfs/dbraw/zinc/80/03/57/461800357.db2.gz FPDGSMQQGPJYPE-SFHVURJKSA-N 2 2 336.907 3.459 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@@H+]2C2CC2)cc1 ZINC000639221100 461810715 /nfs/dbraw/zinc/81/07/15/461810715.db2.gz LGIAPPCROZJBEL-SJLPKXTDSA-N 2 2 337.471 3.140 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@H+]2C2CC2)cc1 ZINC000639221100 461810723 /nfs/dbraw/zinc/81/07/23/461810723.db2.gz LGIAPPCROZJBEL-SJLPKXTDSA-N 2 2 337.471 3.140 20 0 EGADLP Cc1ccc2oc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2c1 ZINC000656711904 461854992 /nfs/dbraw/zinc/85/49/92/461854992.db2.gz CCJICXFLVODHRR-IBGZPJMESA-N 2 2 338.451 3.324 20 0 EGADLP Cc1ccc2oc(C[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)cc2c1 ZINC000656711904 461855005 /nfs/dbraw/zinc/85/50/05/461855005.db2.gz CCJICXFLVODHRR-IBGZPJMESA-N 2 2 338.451 3.324 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647849174 461858243 /nfs/dbraw/zinc/85/82/43/461858243.db2.gz JZUSXNHBTLFDIG-HNNXBMFYSA-N 2 2 343.496 3.445 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647849174 461858246 /nfs/dbraw/zinc/85/82/46/461858246.db2.gz JZUSXNHBTLFDIG-HNNXBMFYSA-N 2 2 343.496 3.445 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358731 461879951 /nfs/dbraw/zinc/87/99/51/461879951.db2.gz AOQTVTGJWXGKLJ-QAPCUYQASA-N 2 2 325.456 3.410 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358731 461879959 /nfs/dbraw/zinc/87/99/59/461879959.db2.gz AOQTVTGJWXGKLJ-QAPCUYQASA-N 2 2 325.456 3.410 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647937218 461894569 /nfs/dbraw/zinc/89/45/69/461894569.db2.gz SRYILVSXTNLBOU-UXLLHSPISA-N 2 2 343.471 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647937218 461894577 /nfs/dbraw/zinc/89/45/77/461894577.db2.gz SRYILVSXTNLBOU-UXLLHSPISA-N 2 2 343.471 3.011 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@H]1[NH3+] ZINC000647938995 461896309 /nfs/dbraw/zinc/89/63/09/461896309.db2.gz YRIGUDMCHUCDPR-RHSMWYFYSA-N 2 2 328.460 3.419 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC[C@H]1[NH3+] ZINC000647938995 461896315 /nfs/dbraw/zinc/89/63/15/461896315.db2.gz YRIGUDMCHUCDPR-RHSMWYFYSA-N 2 2 328.460 3.419 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940890 461897671 /nfs/dbraw/zinc/89/76/71/461897671.db2.gz HUGSUPYKVNVOCK-QRWLVFNGSA-N 2 2 332.463 3.388 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940890 461897681 /nfs/dbraw/zinc/89/76/81/461897681.db2.gz HUGSUPYKVNVOCK-QRWLVFNGSA-N 2 2 332.463 3.388 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653954 461906216 /nfs/dbraw/zinc/90/62/16/461906216.db2.gz DVJWJLUSVQAFBB-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653954 461906219 /nfs/dbraw/zinc/90/62/19/461906219.db2.gz DVJWJLUSVQAFBB-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660653954 461906229 /nfs/dbraw/zinc/90/62/29/461906229.db2.gz DVJWJLUSVQAFBB-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660653954 461906236 /nfs/dbraw/zinc/90/62/36/461906236.db2.gz DVJWJLUSVQAFBB-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657164 461907960 /nfs/dbraw/zinc/90/79/60/461907960.db2.gz WFAKSUDLGWZZGM-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657164 461907967 /nfs/dbraw/zinc/90/79/67/461907967.db2.gz WFAKSUDLGWZZGM-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657164 461907973 /nfs/dbraw/zinc/90/79/73/461907973.db2.gz WFAKSUDLGWZZGM-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657164 461907980 /nfs/dbraw/zinc/90/79/80/461907980.db2.gz WFAKSUDLGWZZGM-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956914 461909135 /nfs/dbraw/zinc/90/91/35/461909135.db2.gz QNTYCEBGSYJPQG-ZBFHGGJFSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956914 461909139 /nfs/dbraw/zinc/90/91/39/461909139.db2.gz QNTYCEBGSYJPQG-ZBFHGGJFSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956914 461909145 /nfs/dbraw/zinc/90/91/45/461909145.db2.gz QNTYCEBGSYJPQG-ZBFHGGJFSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000647956914 461909150 /nfs/dbraw/zinc/90/91/50/461909150.db2.gz QNTYCEBGSYJPQG-ZBFHGGJFSA-N 2 2 333.501 3.134 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970915 461913587 /nfs/dbraw/zinc/91/35/87/461913587.db2.gz LMHSYQBDIVOOER-YOEHRIQHSA-N 2 2 330.875 3.467 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970915 461913591 /nfs/dbraw/zinc/91/35/91/461913591.db2.gz LMHSYQBDIVOOER-YOEHRIQHSA-N 2 2 330.875 3.467 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000648011091 461938971 /nfs/dbraw/zinc/93/89/71/461938971.db2.gz DEHMVFJBVGIXSK-QGZVFWFLSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000648011091 461938975 /nfs/dbraw/zinc/93/89/75/461938975.db2.gz DEHMVFJBVGIXSK-QGZVFWFLSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000648011091 461938977 /nfs/dbraw/zinc/93/89/77/461938977.db2.gz DEHMVFJBVGIXSK-QGZVFWFLSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000648011091 461938987 /nfs/dbraw/zinc/93/89/87/461938987.db2.gz DEHMVFJBVGIXSK-QGZVFWFLSA-N 2 2 342.487 3.152 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c(C)[nH+]1 ZINC000667119209 461958263 /nfs/dbraw/zinc/95/82/63/461958263.db2.gz LYHQOXKYGVBHBO-UHFFFAOYSA-N 2 2 330.476 3.250 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Oc3ccccc3)o1)CCO2 ZINC000648072333 461969557 /nfs/dbraw/zinc/96/95/57/461969557.db2.gz YNVWHZLVQHCHGM-UHFFFAOYSA-N 2 2 342.439 3.369 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Oc3ccccc3)o1)CCO2 ZINC000648072333 461969558 /nfs/dbraw/zinc/96/95/58/461969558.db2.gz YNVWHZLVQHCHGM-UHFFFAOYSA-N 2 2 342.439 3.369 20 0 EGADLP CCCCCNC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853486 461996933 /nfs/dbraw/zinc/99/69/33/461996933.db2.gz ZJYWADVNBPVUSC-UHFFFAOYSA-N 2 2 342.487 3.124 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657294746 462022580 /nfs/dbraw/zinc/02/25/80/462022580.db2.gz DRGLMPPTPNCMQO-STQMWFEESA-N 2 2 346.393 3.016 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657316928 462041073 /nfs/dbraw/zinc/04/10/73/462041073.db2.gz XEVYSDKRQGFSJZ-UHFFFAOYSA-N 2 2 335.835 3.180 20 0 EGADLP Clc1ccccc1C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOCC1 ZINC000657352880 462065292 /nfs/dbraw/zinc/06/52/92/462065292.db2.gz MECHBSLZMYKDID-UHFFFAOYSA-N 2 2 345.874 3.321 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843034 462102100 /nfs/dbraw/zinc/10/21/00/462102100.db2.gz CHCRIVPVVALCHW-JXFKEZNVSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843034 462102106 /nfs/dbraw/zinc/10/21/06/462102106.db2.gz CHCRIVPVVALCHW-JXFKEZNVSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000644843034 462102113 /nfs/dbraw/zinc/10/21/13/462102113.db2.gz CHCRIVPVVALCHW-JXFKEZNVSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000644843034 462102117 /nfs/dbraw/zinc/10/21/17/462102117.db2.gz CHCRIVPVVALCHW-JXFKEZNVSA-N 2 2 332.488 3.400 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138360 462103207 /nfs/dbraw/zinc/10/32/07/462103207.db2.gz FUKCSFPGGVPBEJ-DOTOQJQBSA-N 2 2 347.507 3.233 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138360 462103214 /nfs/dbraw/zinc/10/32/14/462103214.db2.gz FUKCSFPGGVPBEJ-DOTOQJQBSA-N 2 2 347.507 3.233 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667481950 462105459 /nfs/dbraw/zinc/10/54/59/462105459.db2.gz MSFYPNYDHTZFOG-UHFFFAOYSA-N 2 2 338.499 3.271 20 0 EGADLP Cc1[nH+]cc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1C ZINC000667482752 462105849 /nfs/dbraw/zinc/10/58/49/462105849.db2.gz OPTMSSLPKXUIJZ-UHFFFAOYSA-N 2 2 327.428 3.402 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1C ZINC000667482752 462105857 /nfs/dbraw/zinc/10/58/57/462105857.db2.gz OPTMSSLPKXUIJZ-UHFFFAOYSA-N 2 2 327.428 3.402 20 0 EGADLP Cc1[nH+]cc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000667492701 462110819 /nfs/dbraw/zinc/11/08/19/462110819.db2.gz SLWXORMJTZBLON-UHFFFAOYSA-N 2 2 332.879 3.090 20 0 EGADLP Cc1[nH+]cc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1C ZINC000667492701 462110825 /nfs/dbraw/zinc/11/08/25/462110825.db2.gz SLWXORMJTZBLON-UHFFFAOYSA-N 2 2 332.879 3.090 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893511 462122213 /nfs/dbraw/zinc/12/22/13/462122213.db2.gz QDXJETUKMDRIOX-HKUYNNGSSA-N 2 2 345.531 3.182 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893511 462122221 /nfs/dbraw/zinc/12/22/21/462122221.db2.gz QDXJETUKMDRIOX-HKUYNNGSSA-N 2 2 345.531 3.182 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000644901110 462124024 /nfs/dbraw/zinc/12/40/24/462124024.db2.gz JBOGKKZOFFFKAQ-MJGOQNOKSA-N 2 2 342.487 3.086 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000644901110 462124027 /nfs/dbraw/zinc/12/40/27/462124027.db2.gz JBOGKKZOFFFKAQ-MJGOQNOKSA-N 2 2 342.487 3.086 20 0 EGADLP CC1(C)[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H]1OCc1ccccc1 ZINC000657439268 462124412 /nfs/dbraw/zinc/12/44/12/462124412.db2.gz YXWWAMGUJGRWMK-ROUUACIJSA-N 2 2 325.456 3.303 20 0 EGADLP COc1cccc(C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]2CCCO2)c1 ZINC000667558335 462142778 /nfs/dbraw/zinc/14/27/78/462142778.db2.gz DHNGGMYTVLUQRX-IBGZPJMESA-N 2 2 341.455 3.019 20 0 EGADLP COc1cccc(C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]2CCCO2)c1 ZINC000667558335 462142783 /nfs/dbraw/zinc/14/27/83/462142783.db2.gz DHNGGMYTVLUQRX-IBGZPJMESA-N 2 2 341.455 3.019 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000657587901 462192946 /nfs/dbraw/zinc/19/29/46/462192946.db2.gz ZSTPSJVPOBYURW-HNNXBMFYSA-N 2 2 331.382 3.127 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1)c1ccccc1 ZINC000639983069 462203973 /nfs/dbraw/zinc/20/39/73/462203973.db2.gz NZVODZYWICNNMH-ROUUACIJSA-N 2 2 343.515 3.203 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000645154723 462205535 /nfs/dbraw/zinc/20/55/35/462205535.db2.gz NTRCAWNJSBOBJV-JKSUJKDBSA-N 2 2 349.316 3.380 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000645154723 462205539 /nfs/dbraw/zinc/20/55/39/462205539.db2.gz NTRCAWNJSBOBJV-JKSUJKDBSA-N 2 2 349.316 3.380 20 0 EGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629217 462206966 /nfs/dbraw/zinc/20/69/66/462206966.db2.gz VARITUOJCOFWKU-YRPNKDGESA-N 2 2 336.483 3.218 20 0 EGADLP c1cn2c(n1)[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629217 462206974 /nfs/dbraw/zinc/20/69/74/462206974.db2.gz VARITUOJCOFWKU-YRPNKDGESA-N 2 2 336.483 3.218 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1C ZINC000667687337 462214688 /nfs/dbraw/zinc/21/46/88/462214688.db2.gz JRBJYWVEEZVFFQ-AWEZNQCLSA-N 2 2 330.501 3.443 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000667700070 462221752 /nfs/dbraw/zinc/22/17/52/462221752.db2.gz QRORTTWNCQNJBR-AHRSYUTCSA-N 2 2 341.455 3.134 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000667700070 462221758 /nfs/dbraw/zinc/22/17/58/462221758.db2.gz QRORTTWNCQNJBR-AHRSYUTCSA-N 2 2 341.455 3.134 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640099034 462257570 /nfs/dbraw/zinc/25/75/70/462257570.db2.gz HCOZTVKOMMTARY-UFYCRDLUSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640099034 462257575 /nfs/dbraw/zinc/25/75/75/462257575.db2.gz HCOZTVKOMMTARY-UFYCRDLUSA-N 2 2 325.456 3.306 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780441 462275297 /nfs/dbraw/zinc/27/52/97/462275297.db2.gz JDIFQOYQIZAQCB-ZWKOTPCHSA-N 2 2 335.536 3.044 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780441 462275300 /nfs/dbraw/zinc/27/53/00/462275300.db2.gz JDIFQOYQIZAQCB-ZWKOTPCHSA-N 2 2 335.536 3.044 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)CC[N@@H+]1C ZINC000648934835 462334786 /nfs/dbraw/zinc/33/47/86/462334786.db2.gz PJKWWCDMJLZAKG-RHSMWYFYSA-N 2 2 348.450 3.432 20 0 EGADLP C[C@@H]1[C@H](C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)CC[N@H+]1C ZINC000648934835 462334797 /nfs/dbraw/zinc/33/47/97/462334797.db2.gz PJKWWCDMJLZAKG-RHSMWYFYSA-N 2 2 348.450 3.432 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2)CC1 ZINC000648933729 462335559 /nfs/dbraw/zinc/33/55/59/462335559.db2.gz LYGBNHGIQYNSAX-PKOBYXMFSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2)CC1 ZINC000648933729 462335561 /nfs/dbraw/zinc/33/55/61/462335561.db2.gz LYGBNHGIQYNSAX-PKOBYXMFSA-N 2 2 349.563 3.077 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661642997 462345217 /nfs/dbraw/zinc/34/52/17/462345217.db2.gz DECXKERAJQJRIP-HXUWFJFHSA-N 2 2 348.494 3.392 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661642997 462345222 /nfs/dbraw/zinc/34/52/22/462345222.db2.gz DECXKERAJQJRIP-HXUWFJFHSA-N 2 2 348.494 3.392 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644527 462346454 /nfs/dbraw/zinc/34/64/54/462346454.db2.gz UGJYJSMWJXFGBO-AWEZNQCLSA-N 2 2 328.243 3.245 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661644527 462346460 /nfs/dbraw/zinc/34/64/60/462346460.db2.gz UGJYJSMWJXFGBO-AWEZNQCLSA-N 2 2 328.243 3.245 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236111 462362929 /nfs/dbraw/zinc/36/29/29/462362929.db2.gz HMSRBBNLVRJYPH-VQTJNVASSA-N 2 2 336.483 3.265 20 0 EGADLP CC[N@H+](CCC[NH2+]Cc1cn(C)nc1C(F)F)C1CCCCC1 ZINC000651910121 462377095 /nfs/dbraw/zinc/37/70/95/462377095.db2.gz HSBHVGIPBCYBMA-UHFFFAOYSA-N 2 2 328.451 3.492 20 0 EGADLP CC[N@@H+](CCC[NH2+]Cc1cn(C)nc1C(F)F)C1CCCCC1 ZINC000651910121 462377102 /nfs/dbraw/zinc/37/71/02/462377102.db2.gz HSBHVGIPBCYBMA-UHFFFAOYSA-N 2 2 328.451 3.492 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299671 462391602 /nfs/dbraw/zinc/39/16/02/462391602.db2.gz RBEKVVXIJUTFAH-JBACZVJFSA-N 3 2 327.516 3.191 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299671 462391606 /nfs/dbraw/zinc/39/16/06/462391606.db2.gz RBEKVVXIJUTFAH-JBACZVJFSA-N 3 2 327.516 3.191 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000654967952 462433008 /nfs/dbraw/zinc/43/30/08/462433008.db2.gz GLOXPBFOZMKIOF-CDXJDZJCSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000654967952 462433013 /nfs/dbraw/zinc/43/30/13/462433013.db2.gz GLOXPBFOZMKIOF-CDXJDZJCSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230298 462437231 /nfs/dbraw/zinc/43/72/31/462437231.db2.gz XRHIBMCANOXCCI-ZWKOTPCHSA-N 2 2 335.536 3.164 20 0 EGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230298 462437232 /nfs/dbraw/zinc/43/72/32/462437232.db2.gz XRHIBMCANOXCCI-ZWKOTPCHSA-N 2 2 335.536 3.164 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccn2)cc1 ZINC000652132720 462444993 /nfs/dbraw/zinc/44/49/93/462444993.db2.gz UEGWXAFIUXCJGR-LJQANCHMSA-N 2 2 327.472 3.357 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccn2)cc1 ZINC000652137331 462446506 /nfs/dbraw/zinc/44/65/06/462446506.db2.gz HGSQJDWRJNDGJP-HXUWFJFHSA-N 2 2 327.472 3.500 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccn2)cc1 ZINC000652137331 462446511 /nfs/dbraw/zinc/44/65/11/462446511.db2.gz HGSQJDWRJNDGJP-HXUWFJFHSA-N 2 2 327.472 3.500 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283811 462455590 /nfs/dbraw/zinc/45/55/90/462455590.db2.gz DDIBJSQTDAMUTE-CABCVRRESA-N 2 2 327.472 3.108 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283811 462455594 /nfs/dbraw/zinc/45/55/94/462455594.db2.gz DDIBJSQTDAMUTE-CABCVRRESA-N 2 2 327.472 3.108 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285358 462456497 /nfs/dbraw/zinc/45/64/97/462456497.db2.gz KSLYAWYCWRYGIM-FPOVZHCZSA-N 2 2 339.483 3.448 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285358 462456501 /nfs/dbraw/zinc/45/65/01/462456501.db2.gz KSLYAWYCWRYGIM-FPOVZHCZSA-N 2 2 339.483 3.448 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658295052 462461602 /nfs/dbraw/zinc/46/16/02/462461602.db2.gz QYHVHOYLNFOWIS-AZUAARDMSA-N 2 2 344.499 3.360 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC000649301541 462473154 /nfs/dbraw/zinc/47/31/54/462473154.db2.gz YIQXKVMOXLJPPR-RTBURBONSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC000649301541 462473159 /nfs/dbraw/zinc/47/31/59/462473159.db2.gz YIQXKVMOXLJPPR-RTBURBONSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H]3CCCCN3C(C)C)C2)c1 ZINC000649301541 462473163 /nfs/dbraw/zinc/47/31/63/462473163.db2.gz YIQXKVMOXLJPPR-RTBURBONSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H]3CCCCN3C(C)C)C2)c1 ZINC000649301541 462473169 /nfs/dbraw/zinc/47/31/69/462473169.db2.gz YIQXKVMOXLJPPR-RTBURBONSA-N 2 2 330.520 3.387 20 0 EGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649315353 462476856 /nfs/dbraw/zinc/47/68/56/462476856.db2.gz AVIKJESKFVIDFV-GFCCVEGCSA-N 2 2 334.370 3.014 20 0 EGADLP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000649370443 462490223 /nfs/dbraw/zinc/49/02/23/462490223.db2.gz OULUPHDIXQGYCT-INIZCTEOSA-N 2 2 337.423 3.278 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(CNc2cc(-n3cc[nH+]c3)ncn2)CCC1 ZINC000649422082 462504888 /nfs/dbraw/zinc/50/48/88/462504888.db2.gz ZYPUHLDPZDCQNJ-UHFFFAOYSA-N 2 2 348.454 3.129 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(CNc2cc(-n3cc[nH+]c3)ncn2)CCC1 ZINC000649422082 462504890 /nfs/dbraw/zinc/50/48/90/462504890.db2.gz ZYPUHLDPZDCQNJ-UHFFFAOYSA-N 2 2 348.454 3.129 20 0 EGADLP CCc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc[nH+]1 ZINC000603380277 479365213 /nfs/dbraw/zinc/36/52/13/479365213.db2.gz GQVZNVNLCCEXAP-IYBDPMFKSA-N 2 2 340.471 3.260 20 0 EGADLP CCc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc[nH+]1 ZINC000603380277 479365221 /nfs/dbraw/zinc/36/52/21/479365221.db2.gz GQVZNVNLCCEXAP-IYBDPMFKSA-N 2 2 340.471 3.260 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000181951313 534160609 /nfs/dbraw/zinc/16/06/09/534160609.db2.gz JSOWVMICJONFPY-CQSZACIVSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000181951313 534160612 /nfs/dbraw/zinc/16/06/12/534160612.db2.gz JSOWVMICJONFPY-CQSZACIVSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000181950599 534167393 /nfs/dbraw/zinc/16/73/93/534167393.db2.gz MZKJMXHQKQAUPZ-QGZVFWFLSA-N 2 2 334.435 3.063 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000181950599 534167403 /nfs/dbraw/zinc/16/74/03/534167403.db2.gz MZKJMXHQKQAUPZ-QGZVFWFLSA-N 2 2 334.435 3.063 20 0 EGADLP [NH3+]CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000184227660 534588734 /nfs/dbraw/zinc/58/87/34/534588734.db2.gz SIKOGGDPPBDOBC-UHFFFAOYSA-N 2 2 330.407 3.249 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369646653 535073717 /nfs/dbraw/zinc/07/37/17/535073717.db2.gz IKUUXFFYTABMOT-FUHIMQAGSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369646653 535073721 /nfs/dbraw/zinc/07/37/21/535073721.db2.gz IKUUXFFYTABMOT-FUHIMQAGSA-N 2 2 345.531 3.180 20 0 EGADLP C[NH+](C)CCCCCCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000264292966 535826660 /nfs/dbraw/zinc/82/66/60/535826660.db2.gz MGKXWCXFXQGNDK-UHFFFAOYSA-N 2 2 349.523 3.085 20 0 EGADLP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000348170728 536178786 /nfs/dbraw/zinc/17/87/86/536178786.db2.gz BSQBSIZFXWHCCN-KRWDZBQOSA-N 2 2 344.528 3.363 20 0 EGADLP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cn1 ZINC000348170728 536178789 /nfs/dbraw/zinc/17/87/89/536178789.db2.gz BSQBSIZFXWHCCN-KRWDZBQOSA-N 2 2 344.528 3.363 20 0 EGADLP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cn1 ZINC000348170728 536178792 /nfs/dbraw/zinc/17/87/92/536178792.db2.gz BSQBSIZFXWHCCN-KRWDZBQOSA-N 2 2 344.528 3.363 20 0 EGADLP CCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cn1 ZINC000348170728 536178793 /nfs/dbraw/zinc/17/87/93/536178793.db2.gz BSQBSIZFXWHCCN-KRWDZBQOSA-N 2 2 344.528 3.363 20 0 EGADLP COCCC[C@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000178535546 536665900 /nfs/dbraw/zinc/66/59/00/536665900.db2.gz ZEPCUDGXHHUXQR-ZWKOTPCHSA-N 2 2 334.504 3.291 20 0 EGADLP COC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(F)c(F)c1 ZINC000183948776 536874990 /nfs/dbraw/zinc/87/49/90/536874990.db2.gz SYWIXADBOSGLMA-KRWDZBQOSA-N 2 2 326.431 3.364 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCC(=O)N2CCCCC2)C[N@@H+]1Cc1ccccc1 ZINC000090169666 546653600 /nfs/dbraw/zinc/65/36/00/546653600.db2.gz GZWMQOJQWBPCFY-IBGZPJMESA-N 2 2 343.515 3.032 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCC(=O)N2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000090169666 546653605 /nfs/dbraw/zinc/65/36/05/546653605.db2.gz GZWMQOJQWBPCFY-IBGZPJMESA-N 2 2 343.515 3.032 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000090407531 546656239 /nfs/dbraw/zinc/65/62/39/546656239.db2.gz JBEKEZSXIIUHRI-CRAIPNDOSA-N 2 2 344.528 3.091 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731589 546859071 /nfs/dbraw/zinc/85/90/71/546859071.db2.gz LAXTXTTWHCUADT-RXVVDRJESA-N 3 2 331.548 3.259 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000155444212 546903022 /nfs/dbraw/zinc/90/30/22/546903022.db2.gz QWEUHOVHMBXULQ-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000155444212 546903027 /nfs/dbraw/zinc/90/30/27/546903027.db2.gz QWEUHOVHMBXULQ-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000163691275 546975018 /nfs/dbraw/zinc/97/50/18/546975018.db2.gz XBDPKXNCDLIAPZ-CYBMUJFWSA-N 2 2 330.394 3.467 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccccc1Cl ZINC000166698643 546989111 /nfs/dbraw/zinc/98/91/11/546989111.db2.gz XIYDARVDSHVCSV-ZMSDIMECSA-N 2 2 347.890 3.052 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccccc1Cl ZINC000166698643 546989116 /nfs/dbraw/zinc/98/91/16/546989116.db2.gz XIYDARVDSHVCSV-ZMSDIMECSA-N 2 2 347.890 3.052 20 0 EGADLP CC[NH+](CC)C[C@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338198388 547560941 /nfs/dbraw/zinc/56/09/41/547560941.db2.gz RQGANGPCPOAKOA-HNNXBMFYSA-N 2 2 327.428 3.334 20 0 EGADLP CC[NH+](CC)C[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000352300725 547682028 /nfs/dbraw/zinc/68/20/28/547682028.db2.gz FPKITZSWFPLTSN-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[NH+](CC)C[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000352300725 547682030 /nfs/dbraw/zinc/68/20/30/547682030.db2.gz FPKITZSWFPLTSN-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000352256414 547682709 /nfs/dbraw/zinc/68/27/09/547682709.db2.gz IXUVETCEHWNHTA-TXEJJXNPSA-N 2 2 347.322 3.100 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000352256414 547682712 /nfs/dbraw/zinc/68/27/12/547682712.db2.gz IXUVETCEHWNHTA-TXEJJXNPSA-N 2 2 347.322 3.100 20 0 EGADLP C[NH+](C)CCOc1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)cc1 ZINC000674063976 548682150 /nfs/dbraw/zinc/68/21/50/548682150.db2.gz GUTSBIZENAFZMC-UHFFFAOYSA-N 2 2 328.460 3.327 20 0 EGADLP CO[C@H](C)c1nc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000674489963 548758251 /nfs/dbraw/zinc/75/82/51/548758251.db2.gz HFZVWIVNLPHLCE-CQSZACIVSA-N 2 2 349.500 3.081 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000675754785 548975474 /nfs/dbraw/zinc/97/54/74/548975474.db2.gz YBKNUOZJVRXVSP-JXFKEZNVSA-N 2 2 341.499 3.412 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839266 549164614 /nfs/dbraw/zinc/16/46/14/549164614.db2.gz JTCKVLPBWMLDQA-LIRRHRJNSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839266 549164616 /nfs/dbraw/zinc/16/46/16/549164616.db2.gz JTCKVLPBWMLDQA-LIRRHRJNSA-N 2 2 345.512 3.048 20 0 EGADLP CC[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000677214326 549231952 /nfs/dbraw/zinc/23/19/52/549231952.db2.gz UDOXMOFZVSCLIW-HNNXBMFYSA-N 2 2 340.427 3.432 20 0 EGADLP CC[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000677214326 549231955 /nfs/dbraw/zinc/23/19/55/549231955.db2.gz UDOXMOFZVSCLIW-HNNXBMFYSA-N 2 2 340.427 3.432 20 0 EGADLP C[N@H+](Cc1[nH]nc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000678221021 549428937 /nfs/dbraw/zinc/42/89/37/549428937.db2.gz WHNLYVVLNWCSDL-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@@H+](Cc1[nH]nc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000678221021 549428939 /nfs/dbraw/zinc/42/89/39/549428939.db2.gz WHNLYVVLNWCSDL-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235190 549436032 /nfs/dbraw/zinc/43/60/32/549436032.db2.gz FDOJDSMZQYHSFW-SFHVURJKSA-N 2 2 329.444 3.136 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235190 549436037 /nfs/dbraw/zinc/43/60/37/549436037.db2.gz FDOJDSMZQYHSFW-SFHVURJKSA-N 2 2 329.444 3.136 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285376 549460221 /nfs/dbraw/zinc/46/02/21/549460221.db2.gz ZGVPVQSXMPJTSX-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285376 549460224 /nfs/dbraw/zinc/46/02/24/549460224.db2.gz ZGVPVQSXMPJTSX-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285376 549460227 /nfs/dbraw/zinc/46/02/27/549460227.db2.gz ZGVPVQSXMPJTSX-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285376 549460229 /nfs/dbraw/zinc/46/02/29/549460229.db2.gz ZGVPVQSXMPJTSX-MRXNPFEDSA-N 2 2 346.906 3.358 20 0 EGADLP Cc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000680835027 549915940 /nfs/dbraw/zinc/91/59/40/549915940.db2.gz UYHXQKSUVLVZCD-VXKWHMMOSA-N 2 2 338.495 3.010 20 0 EGADLP Cc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000680835027 549915943 /nfs/dbraw/zinc/91/59/43/549915943.db2.gz UYHXQKSUVLVZCD-VXKWHMMOSA-N 2 2 338.495 3.010 20 0 EGADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867236 549920481 /nfs/dbraw/zinc/92/04/81/549920481.db2.gz CGLHMDACAMHBAZ-SMRJSYMMSA-N 2 2 349.563 3.124 20 0 EGADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867236 549920483 /nfs/dbraw/zinc/92/04/83/549920483.db2.gz CGLHMDACAMHBAZ-SMRJSYMMSA-N 2 2 349.563 3.124 20 0 EGADLP c1csc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)n1 ZINC000680961154 549933602 /nfs/dbraw/zinc/93/36/02/549933602.db2.gz FMSWEPAAIGXNMD-UHFFFAOYSA-N 2 2 338.440 3.392 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000683693712 550254623 /nfs/dbraw/zinc/25/46/23/550254623.db2.gz CCPRNFCPXXIDRC-APWZRJJASA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000683693712 550254624 /nfs/dbraw/zinc/25/46/24/550254624.db2.gz CCPRNFCPXXIDRC-APWZRJJASA-N 2 2 329.488 3.319 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685460000 550419814 /nfs/dbraw/zinc/41/98/14/550419814.db2.gz WWNUNIYOBSTYFN-UHFFFAOYSA-N 2 2 334.895 3.358 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685460000 550419816 /nfs/dbraw/zinc/41/98/16/550419816.db2.gz WWNUNIYOBSTYFN-UHFFFAOYSA-N 2 2 334.895 3.358 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000731032799 575047635 /nfs/dbraw/zinc/04/76/35/575047635.db2.gz PEEWIPXLKUSJHS-MOPGFXCFSA-N 2 2 342.483 3.042 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000731032799 575047636 /nfs/dbraw/zinc/04/76/36/575047636.db2.gz PEEWIPXLKUSJHS-MOPGFXCFSA-N 2 2 342.483 3.042 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000731483966 575076326 /nfs/dbraw/zinc/07/63/26/575076326.db2.gz WSLCBKQEEMICOV-IAGOWNOFSA-N 2 2 348.491 3.167 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000731483966 575076329 /nfs/dbraw/zinc/07/63/29/575076329.db2.gz WSLCBKQEEMICOV-IAGOWNOFSA-N 2 2 348.491 3.167 20 0 EGADLP O[C@@H](C[NH2+][C@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCCC1 ZINC000678683044 576168579 /nfs/dbraw/zinc/16/85/79/576168579.db2.gz KKQLNSROBMJEFU-PXNSSMCTSA-N 2 2 334.479 3.493 20 0 EGADLP COc1c(C)c[nH+]c(COC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1C ZINC000741012467 576645882 /nfs/dbraw/zinc/64/58/82/576645882.db2.gz XWBZVEOZBDRXJW-KRWDZBQOSA-N 2 2 334.460 3.261 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000743262569 576804656 /nfs/dbraw/zinc/80/46/56/576804656.db2.gz QKEMBLQLXMTTIH-OAQYLSRUSA-N 2 2 342.458 3.422 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063303 1291411677 /nfs/dbraw/zinc/41/16/77/1291411677.db2.gz LZNGJWKXLYNJHB-UHFFFAOYSA-N 2 2 338.249 3.224 20 0 EGADLP CCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000066586776 1292124431 /nfs/dbraw/zinc/12/44/31/1292124431.db2.gz QKDNFYZOQLWVOT-UHFFFAOYSA-N 2 2 330.497 3.433 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000067183960 1292151826 /nfs/dbraw/zinc/15/18/26/1292151826.db2.gz GCZKRJQQOMNPEJ-KRWDZBQOSA-N 2 2 338.455 3.407 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000067183960 1292151830 /nfs/dbraw/zinc/15/18/30/1292151830.db2.gz GCZKRJQQOMNPEJ-KRWDZBQOSA-N 2 2 338.455 3.407 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079751262 1292574033 /nfs/dbraw/zinc/57/40/33/1292574033.db2.gz JKIKVUHEGIWGPM-IBGZPJMESA-N 3 2 329.532 3.363 20 0 EGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)CC1 ZINC000107711865 1293071366 /nfs/dbraw/zinc/07/13/66/1293071366.db2.gz UNHFNWBOGVTBFI-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(F)c3F)cc2)CC1 ZINC000107711865 1293071370 /nfs/dbraw/zinc/07/13/70/1293071370.db2.gz UNHFNWBOGVTBFI-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000114772388 1293177434 /nfs/dbraw/zinc/17/74/34/1293177434.db2.gz ADXYUQJFTHUAGE-LJQANCHMSA-N 2 2 340.467 3.458 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000114772388 1293177440 /nfs/dbraw/zinc/17/74/40/1293177440.db2.gz ADXYUQJFTHUAGE-LJQANCHMSA-N 2 2 340.467 3.458 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OC ZINC000114772385 1293177729 /nfs/dbraw/zinc/17/77/29/1293177729.db2.gz ADXYUQJFTHUAGE-IBGZPJMESA-N 2 2 340.467 3.458 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1OC ZINC000114772385 1293177732 /nfs/dbraw/zinc/17/77/32/1293177732.db2.gz ADXYUQJFTHUAGE-IBGZPJMESA-N 2 2 340.467 3.458 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000124056093 1293465021 /nfs/dbraw/zinc/46/50/21/1293465021.db2.gz RCMRCCQHKFXRGG-LJQANCHMSA-N 2 2 341.455 3.180 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000124056093 1293465025 /nfs/dbraw/zinc/46/50/25/1293465025.db2.gz RCMRCCQHKFXRGG-LJQANCHMSA-N 2 2 341.455 3.180 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)c(Cl)nc21 ZINC000126844065 1293545029 /nfs/dbraw/zinc/54/50/29/1293545029.db2.gz PESWRJATUWKWBV-CYBMUJFWSA-N 2 2 346.866 3.288 20 0 EGADLP COc1ccc([C@H](CCO)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000128655864 1293600498 /nfs/dbraw/zinc/60/04/98/1293600498.db2.gz KHHUCOATOATCMK-FQEVSTJZSA-N 2 2 337.423 3.094 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000163825263 1294339780 /nfs/dbraw/zinc/33/97/80/1294339780.db2.gz UKYPBWXOZNNMJA-UHFFFAOYSA-N 2 2 336.476 3.030 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2cc1F ZINC000172957499 1294451642 /nfs/dbraw/zinc/45/16/42/1294451642.db2.gz CAHSHCGEWBQOKV-AWEZNQCLSA-N 2 2 334.414 3.080 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2cc1F ZINC000172957499 1294451644 /nfs/dbraw/zinc/45/16/44/1294451644.db2.gz CAHSHCGEWBQOKV-AWEZNQCLSA-N 2 2 334.414 3.080 20 0 EGADLP CN1C(=O)CCc2cc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000187166806 1295372640 /nfs/dbraw/zinc/37/26/40/1295372640.db2.gz ZIFORIZXOHIOBL-UHFFFAOYSA-N 2 2 346.434 3.071 20 0 EGADLP C[C@](O)(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000187889353 1295421838 /nfs/dbraw/zinc/42/18/38/1295421838.db2.gz PBNAXNXXUZNZMV-KRWDZBQOSA-N 2 2 344.421 3.291 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000236718456 1296198887 /nfs/dbraw/zinc/19/88/87/1296198887.db2.gz IGANDMJIWJYNIG-UHFFFAOYSA-N 3 2 327.516 3.115 20 0 EGADLP COc1cc2c(c(C[NH2+]C3CC[NH+](CC(C)C)CC3)c1)O[C@H](C)C2 ZINC000237337094 1296236772 /nfs/dbraw/zinc/23/67/72/1296236772.db2.gz NLLNDWNARAPTGB-OAHLLOKOSA-N 2 2 332.488 3.229 20 0 EGADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(O)c1F ZINC000872072903 1296718531 /nfs/dbraw/zinc/71/85/31/1296718531.db2.gz LFMJUXFLLPCSEJ-CQSZACIVSA-N 2 2 347.434 3.108 20 0 EGADLP CC[N@H+](CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044917 1297082338 /nfs/dbraw/zinc/08/23/38/1297082338.db2.gz DODPWTYQUXTKDD-NVXWUHKLSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044917 1297082353 /nfs/dbraw/zinc/08/23/53/1297082353.db2.gz DODPWTYQUXTKDD-NVXWUHKLSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@H+](CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044919 1297083245 /nfs/dbraw/zinc/08/32/45/1297083245.db2.gz DODPWTYQUXTKDD-WBVHZDCISA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044919 1297083261 /nfs/dbraw/zinc/08/32/61/1297083261.db2.gz DODPWTYQUXTKDD-WBVHZDCISA-N 2 2 339.524 3.238 20 0 EGADLP COc1c(C)cnc(C[N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1C ZINC000873208802 1297352360 /nfs/dbraw/zinc/35/23/60/1297352360.db2.gz GWKRAPPXXCLPQF-UHFFFAOYSA-N 2 2 331.485 3.046 20 0 EGADLP COc1c(C)cnc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)c1C ZINC000873208802 1297352375 /nfs/dbraw/zinc/35/23/75/1297352375.db2.gz GWKRAPPXXCLPQF-UHFFFAOYSA-N 2 2 331.485 3.046 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376427178 1297517967 /nfs/dbraw/zinc/51/79/67/1297517967.db2.gz NUUKGKPGTFPPGE-UONOGXRCSA-N 2 2 346.862 3.280 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376427178 1297517972 /nfs/dbraw/zinc/51/79/72/1297517972.db2.gz NUUKGKPGTFPPGE-UONOGXRCSA-N 2 2 346.862 3.280 20 0 EGADLP COCc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000382468449 1297560589 /nfs/dbraw/zinc/56/05/89/1297560589.db2.gz GOWZZURZTKDFQF-FQEVSTJZSA-N 2 2 328.456 3.428 20 0 EGADLP COCc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000382468449 1297560600 /nfs/dbraw/zinc/56/06/00/1297560600.db2.gz GOWZZURZTKDFQF-FQEVSTJZSA-N 2 2 328.456 3.428 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124794 1297712728 /nfs/dbraw/zinc/71/27/28/1297712728.db2.gz HWMUCSCQBSAHSN-PXNSSMCTSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccccc2n1 ZINC000398124794 1297712740 /nfs/dbraw/zinc/71/27/40/1297712740.db2.gz HWMUCSCQBSAHSN-PXNSSMCTSA-N 2 2 334.467 3.335 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562591 1297821092 /nfs/dbraw/zinc/82/10/92/1297821092.db2.gz RWHSIBKRPXJMAQ-SWLSCSKDSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000430562591 1297821103 /nfs/dbraw/zinc/82/11/03/1297821103.db2.gz RWHSIBKRPXJMAQ-SWLSCSKDSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693877441 1298152826 /nfs/dbraw/zinc/15/28/26/1298152826.db2.gz KUCSEFATVRSOFE-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693877441 1298152830 /nfs/dbraw/zinc/15/28/30/1298152830.db2.gz KUCSEFATVRSOFE-HOTGVXAUSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000724030690 1298345193 /nfs/dbraw/zinc/34/51/93/1298345193.db2.gz PIKGVWSCCIXKJR-PMPSAXMXSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000724030690 1298345204 /nfs/dbraw/zinc/34/52/04/1298345204.db2.gz PIKGVWSCCIXKJR-PMPSAXMXSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724031560 1298345234 /nfs/dbraw/zinc/34/52/34/1298345234.db2.gz YNSXUDUEYLNFIU-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651733 1298630336 /nfs/dbraw/zinc/63/03/36/1298630336.db2.gz JCPPLVISXGFYNE-BBRMVZONSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651733 1298630343 /nfs/dbraw/zinc/63/03/43/1298630343.db2.gz JCPPLVISXGFYNE-BBRMVZONSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746650527 1298630833 /nfs/dbraw/zinc/63/08/33/1298630833.db2.gz AIMIHSBVBRCIQB-GXTWGEPZSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746650527 1298630845 /nfs/dbraw/zinc/63/08/45/1298630845.db2.gz AIMIHSBVBRCIQB-GXTWGEPZSA-N 2 2 331.287 3.443 20 0 EGADLP O[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000746659263 1298635559 /nfs/dbraw/zinc/63/55/59/1298635559.db2.gz MTWQUWCOBOLMHY-OAQYLSRUSA-N 2 2 342.458 3.285 20 0 EGADLP O[C@@H](C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000746659263 1298635571 /nfs/dbraw/zinc/63/55/71/1298635571.db2.gz MTWQUWCOBOLMHY-OAQYLSRUSA-N 2 2 342.458 3.285 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)nn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876784231 1298985672 /nfs/dbraw/zinc/98/56/72/1298985672.db2.gz BINABZCGQPWIAI-QGZVFWFLSA-N 2 2 344.890 3.474 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)nn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876784231 1298985686 /nfs/dbraw/zinc/98/56/86/1298985686.db2.gz BINABZCGQPWIAI-QGZVFWFLSA-N 2 2 344.890 3.474 20 0 EGADLP CC[NH+](Cc1ccc(Cl)nn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876784231 1298985699 /nfs/dbraw/zinc/98/56/99/1298985699.db2.gz BINABZCGQPWIAI-QGZVFWFLSA-N 2 2 344.890 3.474 20 0 EGADLP CC[NH+](Cc1ccc(Cl)nn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876784231 1298985715 /nfs/dbraw/zinc/98/57/15/1298985715.db2.gz BINABZCGQPWIAI-QGZVFWFLSA-N 2 2 344.890 3.474 20 0 EGADLP Cc1[nH+]cc(CN(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1C ZINC000877775443 1299552310 /nfs/dbraw/zinc/55/23/10/1299552310.db2.gz VPWHVCZVGMMVGM-LJQANCHMSA-N 2 2 326.488 3.215 20 0 EGADLP Cc1[nH+]cc(CN(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)n1C ZINC000877775443 1299552318 /nfs/dbraw/zinc/55/23/18/1299552318.db2.gz VPWHVCZVGMMVGM-LJQANCHMSA-N 2 2 326.488 3.215 20 0 EGADLP CC1(C)CCc2onc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2C1 ZINC000877810114 1299570164 /nfs/dbraw/zinc/57/01/64/1299570164.db2.gz ORCGNCPCECPGMD-UHFFFAOYSA-N 2 2 340.471 3.343 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167717 1299792877 /nfs/dbraw/zinc/79/28/77/1299792877.db2.gz YRTZXLNZBDTFIJ-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167717 1299792884 /nfs/dbraw/zinc/79/28/84/1299792884.db2.gz YRTZXLNZBDTFIJ-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167717 1299792891 /nfs/dbraw/zinc/79/28/91/1299792891.db2.gz YRTZXLNZBDTFIJ-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000878167717 1299792896 /nfs/dbraw/zinc/79/28/96/1299792896.db2.gz YRTZXLNZBDTFIJ-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP CN(C)c1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000754063980 1300075367 /nfs/dbraw/zinc/07/53/67/1300075367.db2.gz FANUZUOMLONCPC-UHFFFAOYSA-N 2 2 338.499 3.244 20 0 EGADLP CN(C)c1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000754063980 1300075379 /nfs/dbraw/zinc/07/53/79/1300075379.db2.gz FANUZUOMLONCPC-UHFFFAOYSA-N 2 2 338.499 3.244 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878667831 1300135350 /nfs/dbraw/zinc/13/53/50/1300135350.db2.gz CMXVFSCWBPXTGH-PMACEKPBSA-N 2 2 346.515 3.122 20 0 EGADLP CC(C)[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000754500781 1300154033 /nfs/dbraw/zinc/15/40/33/1300154033.db2.gz SFEXFWNRCZGLTA-SFHVURJKSA-N 2 2 327.428 3.036 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000878773497 1300184465 /nfs/dbraw/zinc/18/44/65/1300184465.db2.gz DUOCODUYCGNARU-INIZCTEOSA-N 2 2 349.438 3.245 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567068 1301164640 /nfs/dbraw/zinc/16/46/40/1301164640.db2.gz DSAQOLSKHMNXKI-RBUKOAKNSA-N 2 2 340.471 3.005 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857696 1301179150 /nfs/dbraw/zinc/17/91/50/1301179150.db2.gz JQDIYXMRSBARGY-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857696 1301179153 /nfs/dbraw/zinc/17/91/53/1301179153.db2.gz JQDIYXMRSBARGY-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857696 1301179158 /nfs/dbraw/zinc/17/91/58/1301179158.db2.gz JQDIYXMRSBARGY-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857696 1301179163 /nfs/dbraw/zinc/17/91/63/1301179163.db2.gz JQDIYXMRSBARGY-RDTXWAMCSA-N 2 2 340.870 3.176 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)ncc1F ZINC000762736600 1301741236 /nfs/dbraw/zinc/74/12/36/1301741236.db2.gz RAGDGEJYSVSYNH-TUAOUCFPSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)ncc1F ZINC000762736600 1301741241 /nfs/dbraw/zinc/74/12/41/1301741241.db2.gz RAGDGEJYSVSYNH-TUAOUCFPSA-N 2 2 342.256 3.261 20 0 EGADLP c1nc(NC2CCC([NH+]3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000764854213 1302151121 /nfs/dbraw/zinc/15/11/21/1302151121.db2.gz NZVLQTDGRWJWQU-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP c1nc(N2CCCC2)cc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000764854213 1302151128 /nfs/dbraw/zinc/15/11/28/1302151128.db2.gz NZVLQTDGRWJWQU-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882948930 1302178598 /nfs/dbraw/zinc/17/85/98/1302178598.db2.gz SAHWTVMSOXDRAX-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccc(O)cc3)CC2)cc1 ZINC000765349344 1302251588 /nfs/dbraw/zinc/25/15/88/1302251588.db2.gz MPLSIRSMCNGIIS-UHFFFAOYSA-N 2 2 339.483 3.259 20 0 EGADLP CO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1(C)C ZINC000766530001 1302469294 /nfs/dbraw/zinc/46/92/94/1302469294.db2.gz SBASLMABEXJXFZ-MOPGFXCFSA-N 2 2 331.504 3.125 20 0 EGADLP Cc1cc(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)c(C)c[nH+]1 ZINC000767948835 1302791125 /nfs/dbraw/zinc/79/11/25/1302791125.db2.gz VQBBBGZTJZXOTO-UHFFFAOYSA-N 2 2 330.476 3.039 20 0 EGADLP C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000768546459 1302931875 /nfs/dbraw/zinc/93/18/75/1302931875.db2.gz SMEATCFHXJUZFK-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000768546459 1302931881 /nfs/dbraw/zinc/93/18/81/1302931881.db2.gz SMEATCFHXJUZFK-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP C[NH+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@H]1CCC[N@H+](C)C1 ZINC000768546459 1302931888 /nfs/dbraw/zinc/93/18/88/1302931888.db2.gz SMEATCFHXJUZFK-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP C[NH+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000768546459 1302931895 /nfs/dbraw/zinc/93/18/95/1302931895.db2.gz SMEATCFHXJUZFK-INIZCTEOSA-N 2 2 348.491 3.202 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000886315261 1303431894 /nfs/dbraw/zinc/43/18/94/1303431894.db2.gz CZPNBEQSNRHMRE-NQIIRXRSSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000886315261 1303431897 /nfs/dbraw/zinc/43/18/97/1303431897.db2.gz CZPNBEQSNRHMRE-NQIIRXRSSA-N 2 2 346.515 3.072 20 0 EGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886871774 1303621102 /nfs/dbraw/zinc/62/11/02/1303621102.db2.gz ARCNPLPTDCGPDU-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000886871774 1303621108 /nfs/dbraw/zinc/62/11/08/1303621108.db2.gz ARCNPLPTDCGPDU-FQEVSTJZSA-N 2 2 341.455 3.316 20 0 EGADLP CO[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000773085242 1303621585 /nfs/dbraw/zinc/62/15/85/1303621585.db2.gz WBGKMNPBITUUEV-PXNSSMCTSA-N 2 2 331.504 3.269 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779059366 1304523909 /nfs/dbraw/zinc/52/39/09/1304523909.db2.gz XIJKTRJPCSTRHB-GVDBMIGSSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779059366 1304523911 /nfs/dbraw/zinc/52/39/11/1304523911.db2.gz XIJKTRJPCSTRHB-GVDBMIGSSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823347 1305179718 /nfs/dbraw/zinc/17/97/18/1305179718.db2.gz QPRMTCGSWLODKZ-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823347 1305179721 /nfs/dbraw/zinc/17/97/21/1305179721.db2.gz QPRMTCGSWLODKZ-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823347 1305179726 /nfs/dbraw/zinc/17/97/26/1305179726.db2.gz QPRMTCGSWLODKZ-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823347 1305179732 /nfs/dbraw/zinc/17/97/32/1305179732.db2.gz QPRMTCGSWLODKZ-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP CC1(C(=O)OCCCn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000784799717 1305283265 /nfs/dbraw/zinc/28/32/65/1305283265.db2.gz CDTPPVUNUWBFNY-UHFFFAOYSA-N 2 2 341.455 3.119 20 0 EGADLP Oc1cc(Cl)cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000892451788 1305379558 /nfs/dbraw/zinc/37/95/58/1305379558.db2.gz DFOFXXMJQZXRLD-UHFFFAOYSA-N 2 2 346.858 3.168 20 0 EGADLP CCOC(CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC000786836132 1305639196 /nfs/dbraw/zinc/63/91/96/1305639196.db2.gz WZMMKDHTLICCNR-SFHVURJKSA-N 2 2 334.504 3.418 20 0 EGADLP CCOC(CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)OCC ZINC000786836132 1305639206 /nfs/dbraw/zinc/63/92/06/1305639206.db2.gz WZMMKDHTLICCNR-SFHVURJKSA-N 2 2 334.504 3.418 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000893203367 1305760946 /nfs/dbraw/zinc/76/09/46/1305760946.db2.gz ZREMGRQFIQBVOH-HNNXBMFYSA-N 2 2 339.487 3.008 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@]1(C)CCCO1 ZINC000788609348 1305983107 /nfs/dbraw/zinc/98/31/07/1305983107.db2.gz HOOGDMADMREEBR-UZLBHIALSA-N 2 2 331.504 3.269 20 0 EGADLP Cc1ncoc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093871 1306213975 /nfs/dbraw/zinc/21/39/75/1306213975.db2.gz IYWVHQQORMYHES-RBUKOAKNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093871 1306213985 /nfs/dbraw/zinc/21/39/85/1306213985.db2.gz IYWVHQQORMYHES-RBUKOAKNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000894093871 1306213992 /nfs/dbraw/zinc/21/39/92/1306213992.db2.gz IYWVHQQORMYHES-RBUKOAKNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093871 1306214000 /nfs/dbraw/zinc/21/40/00/1306214000.db2.gz IYWVHQQORMYHES-RBUKOAKNSA-N 2 2 325.456 3.470 20 0 EGADLP CC(C)[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)O ZINC000790703447 1308853725 /nfs/dbraw/zinc/85/37/25/1308853725.db2.gz ZSCSKFNVJXBNCC-IBGZPJMESA-N 2 2 333.520 3.107 20 0 EGADLP COc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc(OC)c1 ZINC000896198725 1309741000 /nfs/dbraw/zinc/74/10/00/1309741000.db2.gz UGZANHNREWMCDS-UHFFFAOYSA-N 2 2 327.428 3.175 20 0 EGADLP CC(C)(C)OC(=O)NCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000798270903 1310331102 /nfs/dbraw/zinc/33/11/02/1310331102.db2.gz YYNUAPCALJWEBS-QGZVFWFLSA-N 2 2 347.503 3.154 20 0 EGADLP CC(C)(C)OC(=O)NCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000798270903 1310331112 /nfs/dbraw/zinc/33/11/12/1310331112.db2.gz YYNUAPCALJWEBS-QGZVFWFLSA-N 2 2 347.503 3.154 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)on2)c1 ZINC000897840491 1310487121 /nfs/dbraw/zinc/48/71/21/1310487121.db2.gz BNCCNCZVVIHIQG-CVEARBPZSA-N 2 2 327.428 3.067 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)on2)c1 ZINC000897840491 1310487127 /nfs/dbraw/zinc/48/71/27/1310487127.db2.gz BNCCNCZVVIHIQG-CVEARBPZSA-N 2 2 327.428 3.067 20 0 EGADLP Cc1cn(C(C)(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c[nH+]1 ZINC000897908292 1310513130 /nfs/dbraw/zinc/51/31/30/1310513130.db2.gz FWQIXUQDQYKFNW-QGZVFWFLSA-N 2 2 326.444 3.114 20 0 EGADLP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897984824 1310539112 /nfs/dbraw/zinc/53/91/12/1310539112.db2.gz HQXSOZFRKMDDFH-OAQYLSRUSA-N 2 2 344.499 3.351 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC000898032140 1310556591 /nfs/dbraw/zinc/55/65/91/1310556591.db2.gz XMKVWABICAOXCO-HZPDHXFCSA-N 2 2 339.524 3.001 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC000898032140 1310556601 /nfs/dbraw/zinc/55/66/01/1310556601.db2.gz XMKVWABICAOXCO-HZPDHXFCSA-N 2 2 339.524 3.001 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000800490580 1310768718 /nfs/dbraw/zinc/76/87/18/1310768718.db2.gz ICEVTAXAOLBHSS-FXAWDEMLSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000800490580 1310768724 /nfs/dbraw/zinc/76/87/24/1310768724.db2.gz ICEVTAXAOLBHSS-FXAWDEMLSA-N 2 2 326.488 3.291 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccco1 ZINC000899076096 1310927267 /nfs/dbraw/zinc/92/72/67/1310927267.db2.gz JSQBREDJPDSYTL-BLLLJJGKSA-N 2 2 326.400 3.015 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000825005305 1320303557 /nfs/dbraw/zinc/30/35/57/1320303557.db2.gz GQJJMIGKOCPGEV-INIZCTEOSA-N 2 2 341.503 3.289 20 0 EGADLP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001019040200 1317017356 /nfs/dbraw/zinc/01/73/56/1317017356.db2.gz NXMJWQKQGAJUTJ-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001019040248 1317017799 /nfs/dbraw/zinc/01/77/99/1317017799.db2.gz QRXDESZFTVPPQR-QAPCUYQASA-N 2 2 348.450 3.437 20 0 EGADLP CCc1oc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C(=O)OC ZINC000802642735 1317020380 /nfs/dbraw/zinc/02/03/80/1317020380.db2.gz CZCNZXKSEGIWBN-MRXNPFEDSA-N 2 2 333.432 3.030 20 0 EGADLP CC[C@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000900000674 1317216783 /nfs/dbraw/zinc/21/67/83/1317216783.db2.gz RINBJEKPTQKKRF-WMLDXEAASA-N 2 2 344.459 3.005 20 0 EGADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000902436999 1317578465 /nfs/dbraw/zinc/57/84/65/1317578465.db2.gz GEPQETVYWJUIRE-GESALYCCSA-N 2 2 335.451 3.192 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000902443945 1317580121 /nfs/dbraw/zinc/58/01/21/1317580121.db2.gz MPKMIJBLOXOIAN-YFZFPPMRSA-N 2 2 337.467 3.235 20 0 EGADLP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902891919 1317628481 /nfs/dbraw/zinc/62/84/81/1317628481.db2.gz XDRUVILCRCPOLZ-HNAYVOBHSA-N 2 2 339.414 3.266 20 0 EGADLP c1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)nc1 ZINC000903058675 1317644407 /nfs/dbraw/zinc/64/44/07/1317644407.db2.gz JGYFLQGGLXAFDE-NRFANRHFSA-N 2 2 337.467 3.155 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)c1ccccc1 ZINC000957790373 1317645349 /nfs/dbraw/zinc/64/53/49/1317645349.db2.gz STSMRYJAOQRMJP-FQEVSTJZSA-N 2 2 343.515 3.014 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001020388611 1317675243 /nfs/dbraw/zinc/67/52/43/1317675243.db2.gz BTEDDICDSUXTSO-IYARVYRRSA-N 2 2 348.450 3.002 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000904305305 1317826732 /nfs/dbraw/zinc/82/67/32/1317826732.db2.gz KIRSIWLHXLBKIM-QGZVFWFLSA-N 2 2 331.504 3.491 20 0 EGADLP Cc1ccc(NC(=O)C2CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC2)nc1 ZINC000904309638 1317828972 /nfs/dbraw/zinc/82/89/72/1317828972.db2.gz NRDJAASIVVDRMD-QGZVFWFLSA-N 2 2 346.519 3.194 20 0 EGADLP CCCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000904461720 1317850657 /nfs/dbraw/zinc/85/06/57/1317850657.db2.gz NTVREZNBJBKULX-YLJYHZDGSA-N 2 2 326.440 3.198 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OCC ZINC000904461178 1317850999 /nfs/dbraw/zinc/85/09/99/1317850999.db2.gz GFWWQSPSZSPZFA-YLJYHZDGSA-N 2 2 326.440 3.198 20 0 EGADLP CC[C@@H](C)C[C@H]([NH3+])c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000904590257 1317866172 /nfs/dbraw/zinc/86/61/72/1317866172.db2.gz TXRUZRMKYGZYCE-RISCZKNCSA-N 2 2 326.404 3.062 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001020818993 1317948208 /nfs/dbraw/zinc/94/82/08/1317948208.db2.gz NAIBTFDCPZUIBK-ZTFGCOKTSA-N 2 2 340.471 3.074 20 0 EGADLP [NH3+]C1CC([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000906510184 1318111373 /nfs/dbraw/zinc/11/13/73/1318111373.db2.gz QDLFWWCQSKGPDV-UHFFFAOYSA-N 2 2 338.274 3.152 20 0 EGADLP Cc1cc(C)c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c(C)[nH+]1 ZINC000907636105 1318243386 /nfs/dbraw/zinc/24/33/86/1318243386.db2.gz PYMDWCVYPXMKNM-UHFFFAOYSA-N 2 2 325.456 3.041 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154565 1318388549 /nfs/dbraw/zinc/38/85/49/1318388549.db2.gz HNPDJVJTIMCPCI-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000960154565 1318388553 /nfs/dbraw/zinc/38/85/53/1318388553.db2.gz HNPDJVJTIMCPCI-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603061 1318448564 /nfs/dbraw/zinc/44/85/64/1318448564.db2.gz LUECTNDBGDAADR-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603061 1318448569 /nfs/dbraw/zinc/44/85/69/1318448569.db2.gz LUECTNDBGDAADR-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603061 1318448574 /nfs/dbraw/zinc/44/85/74/1318448574.db2.gz LUECTNDBGDAADR-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603061 1318448578 /nfs/dbraw/zinc/44/85/78/1318448578.db2.gz LUECTNDBGDAADR-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612804 1318459828 /nfs/dbraw/zinc/45/98/28/1318459828.db2.gz GJBLUMUSKIHQMU-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612804 1318459830 /nfs/dbraw/zinc/45/98/30/1318459830.db2.gz GJBLUMUSKIHQMU-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000813784889 1318631984 /nfs/dbraw/zinc/63/19/84/1318631984.db2.gz XPBNABSWWDMHEH-LBPRGKRZSA-N 2 2 338.858 3.261 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)c[nH+]1 ZINC001022274139 1318870782 /nfs/dbraw/zinc/87/07/82/1318870782.db2.gz MGUZQJICAQXVCO-HDICACEKSA-N 2 2 346.519 3.134 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)c1 ZINC001022461102 1318950287 /nfs/dbraw/zinc/95/02/87/1318950287.db2.gz IBFPZAPUVDZFDC-KDURUIRLSA-N 2 2 337.467 3.366 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584620 1319022110 /nfs/dbraw/zinc/02/21/10/1319022110.db2.gz JRHVDYSLVDLPRF-CVEARBPZSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000815584620 1319022117 /nfs/dbraw/zinc/02/21/17/1319022117.db2.gz JRHVDYSLVDLPRF-CVEARBPZSA-N 2 2 331.460 3.168 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898709 1319038777 /nfs/dbraw/zinc/03/87/77/1319038777.db2.gz FGMCDPPUDXUMJY-IEBWSBKVSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898709 1319038783 /nfs/dbraw/zinc/03/87/83/1319038783.db2.gz FGMCDPPUDXUMJY-IEBWSBKVSA-N 2 2 344.503 3.257 20 0 EGADLP Cc1cc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc(C)[nH+]1 ZINC000817170331 1319287828 /nfs/dbraw/zinc/28/78/28/1319287828.db2.gz CLPYKLIEELEXTC-UHFFFAOYSA-N 2 2 344.503 3.295 20 0 EGADLP CC(C)[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccn1 ZINC000817275997 1319310199 /nfs/dbraw/zinc/31/01/99/1319310199.db2.gz QOPAJZYOWQHWTL-NRFANRHFSA-N 2 2 339.483 3.401 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(Br)ncc1F ZINC000817938250 1319465997 /nfs/dbraw/zinc/46/59/97/1319465997.db2.gz HLONXWQPHNSLNW-JTQLQIEISA-N 2 2 330.245 3.295 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949342 1319473728 /nfs/dbraw/zinc/47/37/28/1319473728.db2.gz JCPSDZPQHKZGHI-PXNSSMCTSA-N 3 2 345.531 3.474 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445553 1319543862 /nfs/dbraw/zinc/54/38/62/1319543862.db2.gz UJVNKDUDKWXAPV-INIZCTEOSA-N 2 2 342.487 3.441 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445553 1319543870 /nfs/dbraw/zinc/54/38/70/1319543870.db2.gz UJVNKDUDKWXAPV-INIZCTEOSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000820813154 1319959768 /nfs/dbraw/zinc/95/97/68/1319959768.db2.gz ZNKCEULIJPXMJI-DNVCBOLYSA-N 2 2 348.450 3.299 20 0 EGADLP CC[N@H+](CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1CC1 ZINC000823753465 1320203572 /nfs/dbraw/zinc/20/35/72/1320203572.db2.gz WLUSMIAMGBMFHD-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C1CC1 ZINC000823753465 1320203574 /nfs/dbraw/zinc/20/35/74/1320203574.db2.gz WLUSMIAMGBMFHD-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2F)[C@@H](C)C1 ZINC000823848504 1320210961 /nfs/dbraw/zinc/21/09/61/1320210961.db2.gz VWEIHVIVIPBGKB-DZGCQCFKSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2F)[C@@H](C)C1 ZINC000823848504 1320210964 /nfs/dbraw/zinc/21/09/64/1320210964.db2.gz VWEIHVIVIPBGKB-DZGCQCFKSA-N 2 2 343.874 3.101 20 0 EGADLP CCO[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000825284679 1320323987 /nfs/dbraw/zinc/32/39/87/1320323987.db2.gz XUPXGOWODUTKFM-WOJBJXKFSA-N 2 2 331.504 3.269 20 0 EGADLP O[C@H](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000839554172 1320937562 /nfs/dbraw/zinc/93/75/62/1320937562.db2.gz ZCSBQGUOYCRHQP-HXUWFJFHSA-N 2 2 327.472 3.499 20 0 EGADLP CO[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)CC(C)C ZINC000841756521 1321307371 /nfs/dbraw/zinc/30/73/71/1321307371.db2.gz WVXLGKAYKBTKOM-HXUWFJFHSA-N 2 2 333.520 3.372 20 0 EGADLP Cc1ccc2c(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc(=O)oc2c1C ZINC000842476022 1321393170 /nfs/dbraw/zinc/39/31/70/1321393170.db2.gz DRDGDBAWYXFLRN-SFHVURJKSA-N 2 2 328.456 3.407 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)CC[C@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354472 1321504904 /nfs/dbraw/zinc/50/49/04/1321504904.db2.gz IMHBAIFHUDJAOH-ZWKOTPCHSA-N 2 2 331.504 3.022 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@H+](C)CC[C@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354472 1321504908 /nfs/dbraw/zinc/50/49/08/1321504908.db2.gz IMHBAIFHUDJAOH-ZWKOTPCHSA-N 2 2 331.504 3.022 20 0 EGADLP C[C@H](CC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554677 1321717707 /nfs/dbraw/zinc/71/77/07/1321717707.db2.gz NRNGMNDRHOVQHO-IEBWSBKVSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@H](CC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554677 1321717712 /nfs/dbraw/zinc/71/77/12/1321717712.db2.gz NRNGMNDRHOVQHO-IEBWSBKVSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@@H](CC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554673 1321717970 /nfs/dbraw/zinc/71/79/70/1321717970.db2.gz NRNGMNDRHOVQHO-HKUYNNGSSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@@H](CC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554673 1321717974 /nfs/dbraw/zinc/71/79/74/1321717974.db2.gz NRNGMNDRHOVQHO-HKUYNNGSSA-N 2 2 341.455 3.432 20 0 EGADLP [NH3+]CCCCCC[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000846217838 1321776637 /nfs/dbraw/zinc/77/66/37/1321776637.db2.gz FDKVMCZUPAKDMM-MRXNPFEDSA-N 2 2 341.293 3.342 20 0 EGADLP [NH3+]CCCCCC[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000846217838 1321776641 /nfs/dbraw/zinc/77/66/41/1321776641.db2.gz FDKVMCZUPAKDMM-MRXNPFEDSA-N 2 2 341.293 3.342 20 0 EGADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N2CCCCCC2)[NH+](C)C)cc1 ZINC000849077680 1322068798 /nfs/dbraw/zinc/06/87/98/1322068798.db2.gz IRDBILPZCCNVEI-IBGZPJMESA-N 2 2 346.519 3.477 20 0 EGADLP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000849100039 1322078035 /nfs/dbraw/zinc/07/80/35/1322078035.db2.gz PVZHQLCITPXBBN-ZDUSSCGKSA-N 2 2 328.464 3.136 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)c1 ZINC000850117957 1322193963 /nfs/dbraw/zinc/19/39/63/1322193963.db2.gz CIJOURLKNUOQMN-ROUUACIJSA-N 2 2 328.481 3.368 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)c1 ZINC000850117957 1322193967 /nfs/dbraw/zinc/19/39/67/1322193967.db2.gz CIJOURLKNUOQMN-ROUUACIJSA-N 2 2 328.481 3.368 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000850494392 1322257157 /nfs/dbraw/zinc/25/71/57/1322257157.db2.gz OOGNLFMDNMJRIX-ILXRZTDVSA-N 2 2 346.462 3.206 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000850494392 1322257160 /nfs/dbraw/zinc/25/71/60/1322257160.db2.gz OOGNLFMDNMJRIX-ILXRZTDVSA-N 2 2 346.462 3.206 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ncccn2)ccc1OC ZINC000850550626 1322263826 /nfs/dbraw/zinc/26/38/26/1322263826.db2.gz AUQGCYHEPDSRBR-OAHLLOKOSA-N 2 2 328.460 3.178 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751420 1322392295 /nfs/dbraw/zinc/39/22/95/1322392295.db2.gz XGSPRYRHOXLBLV-JXFKEZNVSA-N 2 2 337.467 3.017 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751420 1322392297 /nfs/dbraw/zinc/39/22/97/1322392297.db2.gz XGSPRYRHOXLBLV-JXFKEZNVSA-N 2 2 337.467 3.017 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000924528517 1323042562 /nfs/dbraw/zinc/04/25/62/1323042562.db2.gz ITZFPTFHYYOPJE-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924556386 1323053780 /nfs/dbraw/zinc/05/37/80/1323053780.db2.gz WMQYLQVJWTTYBH-UHFFFAOYSA-N 2 2 331.504 3.342 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681683 1323111553 /nfs/dbraw/zinc/11/15/53/1323111553.db2.gz ZXSDOSXAYSZUSL-GPMSIDNRSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681683 1323111559 /nfs/dbraw/zinc/11/15/59/1323111559.db2.gz ZXSDOSXAYSZUSL-GPMSIDNRSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(Br)CC1 ZINC000924778944 1323159373 /nfs/dbraw/zinc/15/93/73/1323159373.db2.gz ZKILAFJHOOJBPN-NSHDSACASA-N 2 2 338.224 3.417 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c2ncnn21 ZINC000924860043 1323190626 /nfs/dbraw/zinc/19/06/26/1323190626.db2.gz IEDXUIHECHGCJZ-LPHOPBHVSA-N 2 2 339.487 3.450 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001024182173 1323193092 /nfs/dbraw/zinc/19/30/92/1323193092.db2.gz NPPOQAPRXIPLKY-MJGOQNOKSA-N 2 2 344.503 3.163 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3CC3CCC3)ccn12 ZINC001024440205 1323401143 /nfs/dbraw/zinc/40/11/43/1323401143.db2.gz LVPSEAXUWUTKMD-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCC[N@H+]3CC3CCC3)ccn12 ZINC001024440205 1323401148 /nfs/dbraw/zinc/40/11/48/1323401148.db2.gz LVPSEAXUWUTKMD-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CC1CC(C[N@@H+]2CCCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024510572 1323459487 /nfs/dbraw/zinc/45/94/87/1323459487.db2.gz QVUIGOTXRMBURK-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@H+]2CCCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024510572 1323459491 /nfs/dbraw/zinc/45/94/91/1323459491.db2.gz QVUIGOTXRMBURK-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000931329791 1329096076 /nfs/dbraw/zinc/09/60/76/1329096076.db2.gz GBEBGLCVOAAGNE-SFHVURJKSA-N 2 2 336.520 3.055 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236704 1324026082 /nfs/dbraw/zinc/02/60/82/1324026082.db2.gz HMLGKSAOKBGSMN-OALUTQOASA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236704 1324026086 /nfs/dbraw/zinc/02/60/86/1324026086.db2.gz HMLGKSAOKBGSMN-OALUTQOASA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236704 1324026091 /nfs/dbraw/zinc/02/60/91/1324026091.db2.gz HMLGKSAOKBGSMN-OALUTQOASA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236704 1324026096 /nfs/dbraw/zinc/02/60/96/1324026096.db2.gz HMLGKSAOKBGSMN-OALUTQOASA-N 2 2 346.519 3.234 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274351 1324092011 /nfs/dbraw/zinc/09/20/11/1324092011.db2.gz XAWPJHHPLLKPLJ-RBUKOAKNSA-N 2 2 346.519 3.234 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274351 1324092016 /nfs/dbraw/zinc/09/20/16/1324092016.db2.gz XAWPJHHPLLKPLJ-RBUKOAKNSA-N 2 2 346.519 3.234 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001025459434 1324303301 /nfs/dbraw/zinc/30/33/01/1324303301.db2.gz NFRGQPRAWKVBPU-GOEBONIOSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001025459434 1324303306 /nfs/dbraw/zinc/30/33/06/1324303306.db2.gz NFRGQPRAWKVBPU-GOEBONIOSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cc(C)c(NC(=O)CCC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C)c1 ZINC000931724021 1329171565 /nfs/dbraw/zinc/17/15/65/1329171565.db2.gz VBHVMEPBMMVMDA-RBUKOAKNSA-N 2 2 343.515 3.499 20 0 EGADLP Cc1cc(C)c(NC(=O)CCC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)c1 ZINC000931724021 1329171571 /nfs/dbraw/zinc/17/15/71/1329171571.db2.gz VBHVMEPBMMVMDA-RBUKOAKNSA-N 2 2 343.515 3.499 20 0 EGADLP Cc1cc(C)c(NC(=O)CCC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c(C)c1 ZINC000931724021 1329171579 /nfs/dbraw/zinc/17/15/79/1329171579.db2.gz VBHVMEPBMMVMDA-RBUKOAKNSA-N 2 2 343.515 3.499 20 0 EGADLP Cc1cc(C)c(NC(=O)CCC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c(C)c1 ZINC000931724021 1329171584 /nfs/dbraw/zinc/17/15/84/1329171584.db2.gz VBHVMEPBMMVMDA-RBUKOAKNSA-N 2 2 343.515 3.499 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853502382 1325106920 /nfs/dbraw/zinc/10/69/20/1325106920.db2.gz YMKYASMMFBLJTL-OALUTQOASA-N 2 2 344.503 3.042 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853502382 1325106925 /nfs/dbraw/zinc/10/69/25/1325106925.db2.gz YMKYASMMFBLJTL-OALUTQOASA-N 2 2 344.503 3.042 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)c(C)[nH+]1 ZINC001026966310 1325112776 /nfs/dbraw/zinc/11/27/76/1325112776.db2.gz RKUHTFREFQUQKL-QGZVFWFLSA-N 2 2 343.515 3.495 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621543 1325234472 /nfs/dbraw/zinc/23/44/72/1325234472.db2.gz FBYYGMRKVVJHQH-JXFKEZNVSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621543 1325234480 /nfs/dbraw/zinc/23/44/80/1325234480.db2.gz FBYYGMRKVVJHQH-JXFKEZNVSA-N 3 2 327.472 3.142 20 0 EGADLP Cn1c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc2cccc(Cl)c21 ZINC000925641715 1325243315 /nfs/dbraw/zinc/24/33/15/1325243315.db2.gz CSSCBLVXVNZHHZ-HOCLYGCPSA-N 2 2 346.906 3.485 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925674354 1325258505 /nfs/dbraw/zinc/25/85/05/1325258505.db2.gz CHNPSIXWTREMBM-YJBOKZPZSA-N 2 2 327.472 3.139 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424164 1325548985 /nfs/dbraw/zinc/54/89/85/1325548985.db2.gz MNLZDOXQOZYLEV-IXDOHACOSA-N 2 2 342.405 3.345 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424164 1325548990 /nfs/dbraw/zinc/54/89/90/1325548990.db2.gz MNLZDOXQOZYLEV-IXDOHACOSA-N 2 2 342.405 3.345 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc21 ZINC000857076162 1325569765 /nfs/dbraw/zinc/56/97/65/1325569765.db2.gz PMQNYTCFALFTOM-MJGOQNOKSA-N 2 2 340.471 3.385 20 0 EGADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)C1 ZINC000857122976 1325575468 /nfs/dbraw/zinc/57/54/68/1325575468.db2.gz MSMYTYMZJOFLMA-QGZVFWFLSA-N 2 2 334.423 3.396 20 0 EGADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)C1 ZINC000857122976 1325575477 /nfs/dbraw/zinc/57/54/77/1325575477.db2.gz MSMYTYMZJOFLMA-QGZVFWFLSA-N 2 2 334.423 3.396 20 0 EGADLP C[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1cc[nH]c(=O)c1 ZINC000926517418 1325585532 /nfs/dbraw/zinc/58/55/32/1325585532.db2.gz AWZARQYILYRQJF-MRXNPFEDSA-N 2 2 325.456 3.493 20 0 EGADLP C[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1cc[nH]c(=O)c1 ZINC000926517418 1325585538 /nfs/dbraw/zinc/58/55/38/1325585538.db2.gz AWZARQYILYRQJF-MRXNPFEDSA-N 2 2 325.456 3.493 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([N@H+](C)CCC3CC3)C2)c(C)[nH+]1 ZINC001027500652 1327764906 /nfs/dbraw/zinc/76/49/06/1327764906.db2.gz IQZKIRJNYVZOQA-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)c(C)[nH+]1 ZINC001027500652 1327764913 /nfs/dbraw/zinc/76/49/13/1327764913.db2.gz IQZKIRJNYVZOQA-SFHVURJKSA-N 2 2 329.488 3.343 20 0 EGADLP C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927107081 1327868224 /nfs/dbraw/zinc/86/82/24/1327868224.db2.gz BMWUZNCGYNYWJQ-QFBILLFUSA-N 2 2 338.499 3.298 20 0 EGADLP C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927107081 1327868228 /nfs/dbraw/zinc/86/82/28/1327868228.db2.gz BMWUZNCGYNYWJQ-QFBILLFUSA-N 2 2 338.499 3.298 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000863498137 1329558888 /nfs/dbraw/zinc/55/88/88/1329558888.db2.gz KBXVZDQNPYDPRZ-OAHLLOKOSA-N 2 2 326.469 3.247 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000863498137 1329558890 /nfs/dbraw/zinc/55/88/90/1329558890.db2.gz KBXVZDQNPYDPRZ-OAHLLOKOSA-N 2 2 326.469 3.247 20 0 EGADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000863566907 1329563553 /nfs/dbraw/zinc/56/35/53/1329563553.db2.gz TUOXEBAHLCACKD-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000863566907 1329563554 /nfs/dbraw/zinc/56/35/54/1329563554.db2.gz TUOXEBAHLCACKD-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc3)nc12 ZINC000863651184 1329570543 /nfs/dbraw/zinc/57/05/43/1329570543.db2.gz CNASSTBGLMJIJM-INIZCTEOSA-N 2 2 338.455 3.001 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)C[C@H](C)[NH3+])cc3)nc12 ZINC000863651184 1329570544 /nfs/dbraw/zinc/57/05/44/1329570544.db2.gz CNASSTBGLMJIJM-INIZCTEOSA-N 2 2 338.455 3.001 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC[NH+]1CCCCCC1)CC(F)F ZINC000865407241 1329692577 /nfs/dbraw/zinc/69/25/77/1329692577.db2.gz BCWXXNJLTZFCEZ-CQSZACIVSA-N 2 2 349.466 3.001 20 0 EGADLP C[NH+](C)C1CCC(Nc2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865884415 1329748873 /nfs/dbraw/zinc/74/88/73/1329748873.db2.gz XAZJOIMZAXZTEY-UHFFFAOYSA-N 2 2 325.460 3.373 20 0 EGADLP C[NH+](C)C1CCC(Nc2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865884415 1329748874 /nfs/dbraw/zinc/74/88/74/1329748874.db2.gz XAZJOIMZAXZTEY-UHFFFAOYSA-N 2 2 325.460 3.373 20 0 EGADLP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183152 1331865632 /nfs/dbraw/zinc/86/56/32/1331865632.db2.gz GMPFIAMXZHERPS-GDBMZVCRSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183152 1331865633 /nfs/dbraw/zinc/86/56/33/1331865633.db2.gz GMPFIAMXZHERPS-GDBMZVCRSA-N 2 2 342.487 3.439 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947979538 1333330379 /nfs/dbraw/zinc/33/03/79/1333330379.db2.gz IGHSBHCDHBCRAZ-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)[C@H](C)C1 ZINC000947979538 1333330383 /nfs/dbraw/zinc/33/03/83/1333330383.db2.gz IGHSBHCDHBCRAZ-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372392 1333498761 /nfs/dbraw/zinc/49/87/61/1333498761.db2.gz DEPDTOAWEBKVIB-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CCCC[N@H+]1CCC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372392 1333498764 /nfs/dbraw/zinc/49/87/64/1333498764.db2.gz DEPDTOAWEBKVIB-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473419 1333539608 /nfs/dbraw/zinc/53/96/08/1333539608.db2.gz GPBRNHARTRSULV-GOSISDBHSA-N 2 2 346.519 3.206 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473419 1333539609 /nfs/dbraw/zinc/53/96/09/1333539609.db2.gz GPBRNHARTRSULV-GOSISDBHSA-N 2 2 346.519 3.206 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766538 1333668937 /nfs/dbraw/zinc/66/89/37/1333668937.db2.gz KJFCUXQCYNNLPW-IRXDYDNUSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766538 1333668939 /nfs/dbraw/zinc/66/89/39/1333668939.db2.gz KJFCUXQCYNNLPW-IRXDYDNUSA-N 2 2 346.519 3.189 20 0 EGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001204946941 1370613260 /nfs/dbraw/zinc/61/32/60/1370613260.db2.gz UYXVHRAIZUUNHL-MRXNPFEDSA-N 2 2 334.261 3.311 20 0 EGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001204946941 1370613261 /nfs/dbraw/zinc/61/32/61/1370613261.db2.gz UYXVHRAIZUUNHL-MRXNPFEDSA-N 2 2 334.261 3.311 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006067510 1336446259 /nfs/dbraw/zinc/44/62/59/1336446259.db2.gz ZIFKTIPYZBLOLN-LJQANCHMSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006341810 1336492275 /nfs/dbraw/zinc/49/22/75/1336492275.db2.gz YSDOQXJFFMLMIL-UHFFFAOYSA-N 2 2 346.519 3.154 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001006475377 1336513815 /nfs/dbraw/zinc/51/38/15/1336513815.db2.gz NPUJTMPOMWDDAV-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205916626 1370910012 /nfs/dbraw/zinc/91/00/12/1370910012.db2.gz UYGLPIASRSOGQK-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206769032 1371158612 /nfs/dbraw/zinc/15/86/12/1371158612.db2.gz MQOWIXHJQHFGKH-WCQYABFASA-N 2 2 327.266 3.017 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1O ZINC001206808128 1371175603 /nfs/dbraw/zinc/17/56/03/1371175603.db2.gz JSBLMIYQTOZMQK-VXGBXAGGSA-N 2 2 327.266 3.022 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016626315 1338668479 /nfs/dbraw/zinc/66/84/79/1338668479.db2.gz TZTWVJYHJBFHMG-KRWDZBQOSA-N 2 2 340.471 3.027 20 0 EGADLP O=C(NC[C@H]1CC[N@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632555 1340734910 /nfs/dbraw/zinc/73/49/10/1340734910.db2.gz MBZWDJGOSQBACS-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+](CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632555 1340734911 /nfs/dbraw/zinc/73/49/11/1340734911.db2.gz MBZWDJGOSQBACS-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029108100 1340931617 /nfs/dbraw/zinc/93/16/17/1340931617.db2.gz VZJMRAHYSPUYEP-INIZCTEOSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029108100 1340931619 /nfs/dbraw/zinc/93/16/19/1340931619.db2.gz VZJMRAHYSPUYEP-INIZCTEOSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856300 1341097140 /nfs/dbraw/zinc/09/71/40/1341097140.db2.gz LKSKSCQDUJLMFO-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856300 1341097141 /nfs/dbraw/zinc/09/71/41/1341097141.db2.gz LKSKSCQDUJLMFO-IEBWSBKVSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857196 1341097226 /nfs/dbraw/zinc/09/72/26/1341097226.db2.gz WHWYKBYSVWPCBM-DLBZAZTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857196 1341097228 /nfs/dbraw/zinc/09/72/28/1341097228.db2.gz WHWYKBYSVWPCBM-DLBZAZTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH+]2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001030529110 1341194590 /nfs/dbraw/zinc/19/45/90/1341194590.db2.gz UBNPPBBAHGSHPI-LSDHHAIUSA-N 2 2 340.471 3.193 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033191675 1341748635 /nfs/dbraw/zinc/74/86/35/1341748635.db2.gz JZMUNSNBCLTSDR-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033191675 1341748637 /nfs/dbraw/zinc/74/86/37/1341748637.db2.gz JZMUNSNBCLTSDR-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261351 1342353318 /nfs/dbraw/zinc/35/33/18/1342353318.db2.gz WWXGYQLNKLUHDU-SFHVURJKSA-N 2 2 348.535 3.334 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261351 1342353324 /nfs/dbraw/zinc/35/33/24/1342353324.db2.gz WWXGYQLNKLUHDU-SFHVURJKSA-N 2 2 348.535 3.334 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001034745247 1342733481 /nfs/dbraw/zinc/73/34/81/1342733481.db2.gz GMWNOAXTKHHYLS-KBAYOESNSA-N 2 2 340.471 3.039 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC001034801995 1342767177 /nfs/dbraw/zinc/76/71/77/1342767177.db2.gz SRLDJIOOUWTSAM-FHWLQOOXSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001036426303 1343479831 /nfs/dbraw/zinc/47/98/31/1343479831.db2.gz OLNMAJYWIGZUPS-YJBOKZPZSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001036434065 1343485175 /nfs/dbraw/zinc/48/51/75/1343485175.db2.gz RURZMXIKSAJWET-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036595329 1343568633 /nfs/dbraw/zinc/56/86/33/1343568633.db2.gz ZJJLNTSBMZTDPG-HNAYVOBHSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029899 1343938037 /nfs/dbraw/zinc/93/80/37/1343938037.db2.gz IALAMCXTEYZIRX-AEFFLSMTSA-N 2 2 348.450 3.251 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037852370 1344138625 /nfs/dbraw/zinc/13/86/25/1344138625.db2.gz LEJQPCZNOKPAIE-PKOBYXMFSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037852370 1344138627 /nfs/dbraw/zinc/13/86/27/1344138627.db2.gz LEJQPCZNOKPAIE-PKOBYXMFSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037933940 1344189793 /nfs/dbraw/zinc/18/97/93/1344189793.db2.gz NEKRUVDJIIMKKJ-MJGOQNOKSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccsc1 ZINC001038910557 1344647121 /nfs/dbraw/zinc/64/71/21/1344647121.db2.gz WFOGSTKCGZZKGV-QZTJIDSGSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccsc1 ZINC001038910557 1344647125 /nfs/dbraw/zinc/64/71/25/1344647125.db2.gz WFOGSTKCGZZKGV-QZTJIDSGSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001038910557 1344647129 /nfs/dbraw/zinc/64/71/29/1344647129.db2.gz WFOGSTKCGZZKGV-QZTJIDSGSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001038910557 1344647132 /nfs/dbraw/zinc/64/71/32/1344647132.db2.gz WFOGSTKCGZZKGV-QZTJIDSGSA-N 2 2 349.544 3.093 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211040 1344926116 /nfs/dbraw/zinc/92/61/16/1344926116.db2.gz RLQOHWMCVJEZME-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211040 1344926119 /nfs/dbraw/zinc/92/61/19/1344926119.db2.gz RLQOHWMCVJEZME-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211040 1344926121 /nfs/dbraw/zinc/92/61/21/1344926121.db2.gz RLQOHWMCVJEZME-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211040 1344926122 /nfs/dbraw/zinc/92/61/22/1344926122.db2.gz RLQOHWMCVJEZME-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001040682958 1345565300 /nfs/dbraw/zinc/56/53/00/1345565300.db2.gz JVWRDGWAVDPVAN-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2C[NH+](CC3CCCCCC3)C2)c[nH+]1 ZINC001043060654 1346135399 /nfs/dbraw/zinc/13/53/99/1346135399.db2.gz UYTGFMYYMRBXJA-UHFFFAOYSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579688 1346373641 /nfs/dbraw/zinc/37/36/41/1346373641.db2.gz KPSPVOSQTWLYKN-AEFFLSMTSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044693014 1346404743 /nfs/dbraw/zinc/40/47/43/1346404743.db2.gz KEDWLJITLTUXMD-MJGOQNOKSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045235634 1346537773 /nfs/dbraw/zinc/53/77/73/1346537773.db2.gz SOEUCFUJSRTUBZ-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045235634 1346537777 /nfs/dbraw/zinc/53/77/77/1346537777.db2.gz SOEUCFUJSRTUBZ-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935803 1346773210 /nfs/dbraw/zinc/77/32/10/1346773210.db2.gz SZUGWGNBFFGFQM-HXUWFJFHSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935803 1346773213 /nfs/dbraw/zinc/77/32/13/1346773213.db2.gz SZUGWGNBFFGFQM-HXUWFJFHSA-N 2 2 344.503 3.013 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001045981239 1346819338 /nfs/dbraw/zinc/81/93/38/1346819338.db2.gz DLGARAZLDGISGN-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001045981239 1346819342 /nfs/dbraw/zinc/81/93/42/1346819342.db2.gz DLGARAZLDGISGN-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981273 1346819437 /nfs/dbraw/zinc/81/94/37/1346819437.db2.gz FBRMICIKVYLHCF-OXJNMPFZSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981273 1346819440 /nfs/dbraw/zinc/81/94/40/1346819440.db2.gz FBRMICIKVYLHCF-OXJNMPFZSA-N 2 2 346.519 3.011 20 0 EGADLP CCC[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258292 1347281374 /nfs/dbraw/zinc/28/13/74/1347281374.db2.gz YNJGYJJAGPUPHS-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144108 1349154071 /nfs/dbraw/zinc/15/40/71/1349154071.db2.gz QHBULBGBSCHPIH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001054144108 1349154073 /nfs/dbraw/zinc/15/40/73/1349154073.db2.gz QHBULBGBSCHPIH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144108 1349154076 /nfs/dbraw/zinc/15/40/76/1349154076.db2.gz QHBULBGBSCHPIH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001054144108 1349154077 /nfs/dbraw/zinc/15/40/77/1349154077.db2.gz QHBULBGBSCHPIH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C)[N@@H+](CCC4CC4)C3)ccn12 ZINC001071510841 1354734625 /nfs/dbraw/zinc/73/46/25/1354734625.db2.gz GTMASMQNTREKCH-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C)[N@H+](CCC4CC4)C3)ccn12 ZINC001071510841 1354734627 /nfs/dbraw/zinc/73/46/27/1354734627.db2.gz GTMASMQNTREKCH-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954351 1355040317 /nfs/dbraw/zinc/04/03/17/1355040317.db2.gz NTFDNHNNRSDGMN-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954351 1355040320 /nfs/dbraw/zinc/04/03/20/1355040320.db2.gz NTFDNHNNRSDGMN-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001074021999 1356038783 /nfs/dbraw/zinc/03/87/83/1356038783.db2.gz LGTMXBYUQCHPBR-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001074021999 1356038785 /nfs/dbraw/zinc/03/87/85/1356038785.db2.gz LGTMXBYUQCHPBR-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001074021999 1356038788 /nfs/dbraw/zinc/03/87/88/1356038788.db2.gz LGTMXBYUQCHPBR-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001074021999 1356038790 /nfs/dbraw/zinc/03/87/90/1356038790.db2.gz LGTMXBYUQCHPBR-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575288 1387320123 /nfs/dbraw/zinc/32/01/23/1387320123.db2.gz NVINHAGQYZDVKT-UYAOXDASSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673433 1358677476 /nfs/dbraw/zinc/67/74/76/1358677476.db2.gz XMLCNKANGCJNBM-MAUKXSAKSA-N 2 2 348.450 3.470 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673433 1358677482 /nfs/dbraw/zinc/67/74/82/1358677482.db2.gz XMLCNKANGCJNBM-MAUKXSAKSA-N 2 2 348.450 3.470 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CCC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673001 1358677596 /nfs/dbraw/zinc/67/75/96/1358677596.db2.gz NJAQDFWNCUKGJT-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CCC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673001 1358677597 /nfs/dbraw/zinc/67/75/97/1358677597.db2.gz NJAQDFWNCUKGJT-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001085856316 1358824697 /nfs/dbraw/zinc/82/46/97/1358824697.db2.gz WJOXAUJXRHYITG-ROUUACIJSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001085856316 1358824702 /nfs/dbraw/zinc/82/47/02/1358824702.db2.gz WJOXAUJXRHYITG-ROUUACIJSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001085856316 1358824706 /nfs/dbraw/zinc/82/47/06/1358824706.db2.gz WJOXAUJXRHYITG-ROUUACIJSA-N 2 2 349.544 3.044 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001085856316 1358824711 /nfs/dbraw/zinc/82/47/11/1358824711.db2.gz WJOXAUJXRHYITG-ROUUACIJSA-N 2 2 349.544 3.044 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905486 1358864820 /nfs/dbraw/zinc/86/48/20/1358864820.db2.gz GZGAOAOTJANUKR-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905486 1358864822 /nfs/dbraw/zinc/86/48/22/1358864822.db2.gz GZGAOAOTJANUKR-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP O=C(NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)c1cccc2[nH+]ccn21 ZINC001086756876 1359195967 /nfs/dbraw/zinc/19/59/67/1359195967.db2.gz XTZDDVWUBJOPAK-ZWKOTPCHSA-N 2 2 348.450 3.023 20 0 EGADLP CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001086769094 1359197683 /nfs/dbraw/zinc/19/76/83/1359197683.db2.gz PBEHFBFYLJOJNI-FUHWJXTLSA-N 2 2 340.471 3.016 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959857 1359280194 /nfs/dbraw/zinc/28/01/94/1359280194.db2.gz WMXSBLYTZAJRBW-KRWDZBQOSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087251455 1359331357 /nfs/dbraw/zinc/33/13/57/1359331357.db2.gz WFZLKKHGHDXFJH-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CCCCC1 ZINC001088663815 1360006318 /nfs/dbraw/zinc/00/63/18/1360006318.db2.gz WYBSRPRPSIAVHU-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CCCCC1 ZINC001088663815 1360006320 /nfs/dbraw/zinc/00/63/20/1360006320.db2.gz WYBSRPRPSIAVHU-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CC2=CCCCC2)C1 ZINC001089528767 1360491554 /nfs/dbraw/zinc/49/15/54/1360491554.db2.gz NDDOPRAIOVLYHD-QGZVFWFLSA-N 2 2 344.503 3.059 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001089528767 1360491557 /nfs/dbraw/zinc/49/15/57/1360491557.db2.gz NDDOPRAIOVLYHD-QGZVFWFLSA-N 2 2 344.503 3.059 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538284 1360496695 /nfs/dbraw/zinc/49/66/95/1360496695.db2.gz AGCCAVKVZRYFOC-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC(C)(C)C1 ZINC001089538284 1360496696 /nfs/dbraw/zinc/49/66/96/1360496696.db2.gz AGCCAVKVZRYFOC-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CC2CCCCC2)C1 ZINC001089569378 1360514702 /nfs/dbraw/zinc/51/47/02/1360514702.db2.gz YIUSYAFNGAOQLH-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089569378 1360514705 /nfs/dbraw/zinc/51/47/05/1360514705.db2.gz YIUSYAFNGAOQLH-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[N@H+](CC2CC2)C1 ZINC001089659331 1360570538 /nfs/dbraw/zinc/57/05/38/1360570538.db2.gz YAGSMADYPDAKJW-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[N@@H+](CC2CC2)C1 ZINC001089659331 1360570543 /nfs/dbraw/zinc/57/05/43/1360570543.db2.gz YAGSMADYPDAKJW-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001184651375 1387503231 /nfs/dbraw/zinc/50/32/31/1387503231.db2.gz DOTYWQAOPNUTFZ-GDBMZVCRSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C[NH2+]C/C=C/Cl ZINC001184653000 1387503522 /nfs/dbraw/zinc/50/35/22/1387503522.db2.gz QGNFCYDQGAPLCK-UUQASAMASA-N 2 2 346.862 3.003 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092058050 1361285399 /nfs/dbraw/zinc/28/53/99/1361285399.db2.gz YBEBTWJCDUARIG-QKLQHJQFSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001092058050 1361285403 /nfs/dbraw/zinc/28/54/03/1361285403.db2.gz YBEBTWJCDUARIG-QKLQHJQFSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078552 1361734335 /nfs/dbraw/zinc/73/43/35/1361734335.db2.gz BUTFINUABRSOPA-ZIFCJYIRSA-N 2 2 344.503 3.019 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2c(c1)CCCC2=O ZINC001324288376 1387582686 /nfs/dbraw/zinc/58/26/86/1387582686.db2.gz KKQCGDBJMDWJQS-UHFFFAOYSA-N 2 2 346.390 3.347 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250994 1363714156 /nfs/dbraw/zinc/71/41/56/1363714156.db2.gz FDLLMSFUFRKURT-QZTJIDSGSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250994 1363714159 /nfs/dbraw/zinc/71/41/59/1363714159.db2.gz FDLLMSFUFRKURT-QZTJIDSGSA-N 2 2 346.519 3.407 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1)n1cc[nH+]c1 ZINC001099252114 1363715367 /nfs/dbraw/zinc/71/53/67/1363715367.db2.gz RYVCHTARAZXKQE-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CCC1)n1cc[nH+]c1 ZINC001099252114 1363715372 /nfs/dbraw/zinc/71/53/72/1363715372.db2.gz RYVCHTARAZXKQE-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCC(C)C ZINC001099324188 1363751136 /nfs/dbraw/zinc/75/11/36/1363751136.db2.gz ILBPLNROJAPSFX-KRWDZBQOSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC(C)C ZINC001099324188 1363751138 /nfs/dbraw/zinc/75/11/38/1363751138.db2.gz ILBPLNROJAPSFX-KRWDZBQOSA-N 2 2 348.535 3.304 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)[N@H+](CCC2CC2)C1 ZINC001099359255 1363771752 /nfs/dbraw/zinc/77/17/52/1363771752.db2.gz NCZUOAUNECMOFL-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)[N@@H+](CCC2CC2)C1 ZINC001099359255 1363771755 /nfs/dbraw/zinc/77/17/55/1363771755.db2.gz NCZUOAUNECMOFL-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C/CC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100427756 1364109893 /nfs/dbraw/zinc/10/98/93/1364109893.db2.gz GPZUMHCTBSRANR-BKBBAENRSA-N 2 2 346.519 3.311 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+](CCC2CCCCCC2)C1 ZINC001324619475 1387702665 /nfs/dbraw/zinc/70/26/65/1387702665.db2.gz KTBUQESQKLZFLZ-HXUWFJFHSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001324619475 1387702669 /nfs/dbraw/zinc/70/26/69/1387702669.db2.gz KTBUQESQKLZFLZ-HXUWFJFHSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+](CCC2CCCCCC2)C1 ZINC001324619475 1387702672 /nfs/dbraw/zinc/70/26/72/1387702672.db2.gz KTBUQESQKLZFLZ-HXUWFJFHSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001324619475 1387702675 /nfs/dbraw/zinc/70/26/75/1387702675.db2.gz KTBUQESQKLZFLZ-HXUWFJFHSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073460 1364837817 /nfs/dbraw/zinc/83/78/17/1364837817.db2.gz ZUNLTERBTBUOJA-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073460 1364837823 /nfs/dbraw/zinc/83/78/23/1364837823.db2.gz ZUNLTERBTBUOJA-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185493365 1387731741 /nfs/dbraw/zinc/73/17/41/1387731741.db2.gz UWYCLOOUUUGMJA-DLBZAZTESA-N 2 2 348.535 3.198 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185595763 1387758856 /nfs/dbraw/zinc/75/88/56/1387758856.db2.gz WOWXHQDGSXUBTK-MSOLQXFVSA-N 2 2 348.535 3.007 20 0 EGADLP CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001324759507 1387761911 /nfs/dbraw/zinc/76/19/11/1387761911.db2.gz ZSENTJRUSLKYEM-HXUWFJFHSA-N 2 2 342.487 3.212 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185787362 1387799086 /nfs/dbraw/zinc/79/90/86/1387799086.db2.gz FVHFVKDGSCKTOL-RBUKOAKNSA-N 2 2 348.535 3.318 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432700 1366961534 /nfs/dbraw/zinc/96/15/34/1366961534.db2.gz VTDXAGLRCLLMSM-HHOLJBISSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107432700 1366961537 /nfs/dbraw/zinc/96/15/37/1366961537.db2.gz VTDXAGLRCLLMSM-HHOLJBISSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432700 1366961539 /nfs/dbraw/zinc/96/15/39/1366961539.db2.gz VTDXAGLRCLLMSM-HHOLJBISSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107432700 1366961542 /nfs/dbraw/zinc/96/15/42/1366961542.db2.gz VTDXAGLRCLLMSM-HHOLJBISSA-N 2 2 344.503 3.059 20 0 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EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824854 1367342159 /nfs/dbraw/zinc/34/21/59/1367342159.db2.gz NDSLUUWPVIJMBK-SDUHDWFWSA-N 2 2 344.503 3.056 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108700315 1367541220 /nfs/dbraw/zinc/54/12/20/1367541220.db2.gz XTADSSPEEIAUTJ-SZMVWBNQSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108700315 1367541221 /nfs/dbraw/zinc/54/12/21/1367541221.db2.gz XTADSSPEEIAUTJ-SZMVWBNQSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711817 1367549227 /nfs/dbraw/zinc/54/92/27/1367549227.db2.gz SOGNYHOXLKWTLK-UAGQMJEPSA-N 2 2 340.471 3.192 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579366 1367824198 /nfs/dbraw/zinc/82/41/98/1367824198.db2.gz ZTOKXNGIAGRHFG-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579366 1367824204 /nfs/dbraw/zinc/82/42/04/1367824204.db2.gz ZTOKXNGIAGRHFG-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217510 1367968409 /nfs/dbraw/zinc/96/84/09/1367968409.db2.gz HHPSHMKSKPWDOI-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193217510 1367968416 /nfs/dbraw/zinc/96/84/16/1367968416.db2.gz HHPSHMKSKPWDOI-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111078309 1368152763 /nfs/dbraw/zinc/15/27/63/1368152763.db2.gz SAUBMSLULKAGRN-TVFCKZIOSA-N 2 2 332.492 3.136 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111078309 1368152767 /nfs/dbraw/zinc/15/27/67/1368152767.db2.gz SAUBMSLULKAGRN-TVFCKZIOSA-N 2 2 332.492 3.136 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111076623 1368153348 /nfs/dbraw/zinc/15/33/48/1368153348.db2.gz PVBUITUIKOAOQN-OEFCCXOPSA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001111076623 1368153352 /nfs/dbraw/zinc/15/33/52/1368153352.db2.gz PVBUITUIKOAOQN-OEFCCXOPSA-N 2 2 344.503 3.302 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194918426 1368347917 /nfs/dbraw/zinc/34/79/17/1368347917.db2.gz VOKRGCVPCMXTFD-MRXNPFEDSA-N 2 2 340.471 3.081 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194918426 1368347922 /nfs/dbraw/zinc/34/79/22/1368347922.db2.gz VOKRGCVPCMXTFD-MRXNPFEDSA-N 2 2 340.471 3.081 20 0 EGADLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cn(C)nc2C(F)F)CC1 ZINC001196935935 1368717338 /nfs/dbraw/zinc/71/73/38/1368717338.db2.gz MVGGLDXYUMLHOY-INIZCTEOSA-N 2 2 340.462 3.444 20 0 EGADLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cn(C)nc2C(F)F)CC1 ZINC001196935935 1368717340 /nfs/dbraw/zinc/71/73/40/1368717340.db2.gz MVGGLDXYUMLHOY-INIZCTEOSA-N 2 2 340.462 3.444 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC001200971009 1369459873 /nfs/dbraw/zinc/45/98/73/1369459873.db2.gz HMUKRRTXODEPHE-UHFFFAOYSA-N 2 2 339.549 3.420 20 0 EGADLP CC(C)CCC[NH+]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113523182 1369476443 /nfs/dbraw/zinc/47/64/43/1369476443.db2.gz ZFVQQUWKKNTWEY-NRFANRHFSA-N 2 2 345.531 3.044 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001201183270 1369492208 /nfs/dbraw/zinc/49/22/08/1369492208.db2.gz YBNVXPZUKRKEOB-GOSISDBHSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)(C)C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201446616 1369546995 /nfs/dbraw/zinc/54/69/95/1369546995.db2.gz GLSSQRABCADSOZ-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201446616 1369547002 /nfs/dbraw/zinc/54/70/02/1369547002.db2.gz GLSSQRABCADSOZ-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)=CCC[C@@H](C)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201486268 1369554688 /nfs/dbraw/zinc/55/46/88/1369554688.db2.gz ICVKQRWPDKRROT-QGZVFWFLSA-N 2 2 342.491 3.111 20 0 EGADLP CC(C)=CCC[C@@H](C)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201486268 1369554692 /nfs/dbraw/zinc/55/46/92/1369554692.db2.gz ICVKQRWPDKRROT-QGZVFWFLSA-N 2 2 342.491 3.111 20 0 EGADLP Cc1cc[nH+]c(C(C)C)c1Nc1cc[nH+]c(N2CC[NH+](C)CC2)c1 ZINC001201658518 1369598208 /nfs/dbraw/zinc/59/82/08/1369598208.db2.gz CWRQAQUQFYPXMP-UHFFFAOYSA-N 3 2 325.460 3.404 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404832 1369762510 /nfs/dbraw/zinc/76/25/10/1369762510.db2.gz IYHFHLGZSISQRJ-STQMWFEESA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404832 1369762513 /nfs/dbraw/zinc/76/25/13/1369762513.db2.gz IYHFHLGZSISQRJ-STQMWFEESA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202404832 1369762515 /nfs/dbraw/zinc/76/25/15/1369762515.db2.gz IYHFHLGZSISQRJ-STQMWFEESA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202404832 1369762518 /nfs/dbraw/zinc/76/25/18/1369762518.db2.gz IYHFHLGZSISQRJ-STQMWFEESA-N 2 2 333.423 3.382 20 0 EGADLP O=C(Nc1cc[nH+]c2c1CCC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186917105 1388028992 /nfs/dbraw/zinc/02/89/92/1388028992.db2.gz XPRQYEUAUVJKEB-UHFFFAOYSA-N 2 2 335.451 3.230 20 0 EGADLP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202693691 1369853908 /nfs/dbraw/zinc/85/39/08/1369853908.db2.gz CCIXWLZRIXKOSQ-OSJSJHBBSA-N 2 2 332.492 3.161 20 0 EGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001203193112 1370019098 /nfs/dbraw/zinc/01/90/98/1370019098.db2.gz ILYRYYHKGAYARK-UHFFFAOYSA-N 2 2 342.458 3.414 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001203193112 1370019104 /nfs/dbraw/zinc/01/91/04/1370019104.db2.gz ILYRYYHKGAYARK-UHFFFAOYSA-N 2 2 342.458 3.414 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203238058 1370035641 /nfs/dbraw/zinc/03/56/41/1370035641.db2.gz BDQOHZLCQSJMTE-KKSLTYSGSA-N 2 2 344.503 3.037 20 0 EGADLP CCc1[nH]c(CN(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203246338 1370037947 /nfs/dbraw/zinc/03/79/47/1370037947.db2.gz FONMYPDKWOMDPW-SFHVURJKSA-N 2 2 326.488 3.377 20 0 EGADLP CCc1[nH]c(CN(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC001203246338 1370037953 /nfs/dbraw/zinc/03/79/53/1370037953.db2.gz FONMYPDKWOMDPW-SFHVURJKSA-N 2 2 326.488 3.377 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203961094 1370332277 /nfs/dbraw/zinc/33/22/77/1370332277.db2.gz ATLHZFYZMKVUJL-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP c1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204041244 1370357147 /nfs/dbraw/zinc/35/71/47/1370357147.db2.gz AZNFAGFCKMCFSG-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204041244 1370357152 /nfs/dbraw/zinc/35/71/52/1370357152.db2.gz AZNFAGFCKMCFSG-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001204041244 1370357153 /nfs/dbraw/zinc/35/71/53/1370357153.db2.gz AZNFAGFCKMCFSG-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001204041244 1370357158 /nfs/dbraw/zinc/35/71/58/1370357158.db2.gz AZNFAGFCKMCFSG-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)nc(C)[nH+]1 ZINC001204456013 1370481057 /nfs/dbraw/zinc/48/10/57/1370481057.db2.gz LYUVDTFWRZRXSZ-UHFFFAOYSA-N 2 2 340.471 3.203 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204509369 1370497456 /nfs/dbraw/zinc/49/74/56/1370497456.db2.gz YYDCEEYQIMATPT-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204509369 1370497459 /nfs/dbraw/zinc/49/74/59/1370497459.db2.gz YYDCEEYQIMATPT-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC001204604126 1370528155 /nfs/dbraw/zinc/52/81/55/1370528155.db2.gz AVBMWWOQUDNDDJ-LJQANCHMSA-N 2 2 344.886 3.193 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115591796 1370592396 /nfs/dbraw/zinc/59/23/96/1370592396.db2.gz FJTOGJKYMVHPOJ-UHFFFAOYSA-N 2 2 334.508 3.135 20 0 EGADLP C[C@@H](F)CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627386 1370620005 /nfs/dbraw/zinc/62/00/05/1370620005.db2.gz CDGSGBAELNYRNP-OAHLLOKOSA-N 2 2 346.450 3.105 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009217 1370627824 /nfs/dbraw/zinc/62/78/24/1370627824.db2.gz IZLZMWBLAMAVKF-HNNXBMFYSA-N 2 2 343.471 3.084 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205009217 1370627829 /nfs/dbraw/zinc/62/78/29/1370627829.db2.gz IZLZMWBLAMAVKF-HNNXBMFYSA-N 2 2 343.471 3.084 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001205018750 1370630983 /nfs/dbraw/zinc/63/09/83/1370630983.db2.gz YTVQDHPBLIOJAO-GFCCVEGCSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(Br)[nH]c3ccccc32)C1 ZINC001205018750 1370630989 /nfs/dbraw/zinc/63/09/89/1370630989.db2.gz YTVQDHPBLIOJAO-GFCCVEGCSA-N 2 2 336.277 3.362 20 0 EGADLP COCOc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1Cl ZINC001205029789 1370634129 /nfs/dbraw/zinc/63/41/29/1370634129.db2.gz UEPACFSWCQOZEU-UHFFFAOYSA-N 2 2 343.814 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)ccc1F ZINC001205171001 1370669338 /nfs/dbraw/zinc/66/93/38/1370669338.db2.gz BKQNJKOTMUCMRL-OALUTQOASA-N 2 2 325.431 3.093 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)[nH]1 ZINC001205273546 1370702753 /nfs/dbraw/zinc/70/27/53/1370702753.db2.gz FJAVWBYQPHLWAU-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)[nH]1 ZINC001205273546 1370702757 /nfs/dbraw/zinc/70/27/57/1370702757.db2.gz FJAVWBYQPHLWAU-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2c(cccc2C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)[nH]1 ZINC001205273546 1370702763 /nfs/dbraw/zinc/70/27/63/1370702763.db2.gz FJAVWBYQPHLWAU-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2c(cccc2C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)[nH]1 ZINC001205273546 1370702768 /nfs/dbraw/zinc/70/27/68/1370702768.db2.gz FJAVWBYQPHLWAU-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001205339953 1370726183 /nfs/dbraw/zinc/72/61/83/1370726183.db2.gz OOGUMHVVTUJNQK-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cnc2cc(Br)ccc2c1 ZINC001205339953 1370726186 /nfs/dbraw/zinc/72/61/86/1370726186.db2.gz OOGUMHVVTUJNQK-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749142 1370729794 /nfs/dbraw/zinc/72/97/94/1370729794.db2.gz NRRVDDQUWINXLR-MRXNPFEDSA-N 2 2 334.508 3.043 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752612 1370734627 /nfs/dbraw/zinc/73/46/27/1370734627.db2.gz LKGSTFURQMLIOP-KRWDZBQOSA-N 2 2 334.508 3.433 20 0 EGADLP C[N@@H+](Cc1ccccc1-c1ccccc1Cl)C[C@@H]1C[NH2+]CCO1 ZINC001205376845 1370735945 /nfs/dbraw/zinc/73/59/45/1370735945.db2.gz PDBIVEDZKXSPRE-INIZCTEOSA-N 2 2 330.859 3.427 20 0 EGADLP C[N@H+](Cc1ccccc1-c1ccccc1Cl)C[C@@H]1C[NH2+]CCO1 ZINC001205376845 1370735949 /nfs/dbraw/zinc/73/59/49/1370735949.db2.gz PDBIVEDZKXSPRE-INIZCTEOSA-N 2 2 330.859 3.427 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115767197 1370751876 /nfs/dbraw/zinc/75/18/76/1370751876.db2.gz BAOKBPCFAIBZSR-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115767197 1370751881 /nfs/dbraw/zinc/75/18/81/1370751881.db2.gz BAOKBPCFAIBZSR-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[N@@H+](Cc1ccccc1-c1ccc(F)cc1F)C[C@@H]1C[NH2+]CCO1 ZINC001205539408 1370784998 /nfs/dbraw/zinc/78/49/98/1370784998.db2.gz YQSODHRHELAQCO-INIZCTEOSA-N 2 2 332.394 3.052 20 0 EGADLP C[N@H+](Cc1ccccc1-c1ccc(F)cc1F)C[C@@H]1C[NH2+]CCO1 ZINC001205539408 1370785000 /nfs/dbraw/zinc/78/50/00/1370785000.db2.gz YQSODHRHELAQCO-INIZCTEOSA-N 2 2 332.394 3.052 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccc(N(C)C)cc1 ZINC001116070936 1370832165 /nfs/dbraw/zinc/83/21/65/1370832165.db2.gz JOOATWMHXDGAHI-UHFFFAOYSA-N 2 2 349.438 3.213 20 0 EGADLP c1cn(Cc2ccccc2-c2ccc(CC[NH+]3CCOCC3)cc2)c[nH+]1 ZINC001205664478 1370835219 /nfs/dbraw/zinc/83/52/19/1370835219.db2.gz TYNLTRBKUCBCPV-UHFFFAOYSA-N 2 2 347.462 3.473 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]CC[C@@H](C)F)CC2)c(C)[nH+]1 ZINC001205731680 1370854901 /nfs/dbraw/zinc/85/49/01/1370854901.db2.gz FUGYCGIZMAGDHA-CQSZACIVSA-N 2 2 335.467 3.197 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cncc(OC(C)C)c1 ZINC001116294623 1370880647 /nfs/dbraw/zinc/88/06/47/1370880647.db2.gz NCFUGZUSGUTAQL-UHFFFAOYSA-N 2 2 337.383 3.010 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205916626 1370910009 /nfs/dbraw/zinc/91/00/09/1370910009.db2.gz UYGLPIASRSOGQK-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923919 1370912965 /nfs/dbraw/zinc/91/29/65/1370912965.db2.gz QGRIGAMREXZAOO-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923919 1370912968 /nfs/dbraw/zinc/91/29/68/1370912968.db2.gz QGRIGAMREXZAOO-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116637125 1370949445 /nfs/dbraw/zinc/94/94/45/1370949445.db2.gz MEHWLZJUWXCALD-QAPCUYQASA-N 2 2 342.443 3.500 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206070222 1370953430 /nfs/dbraw/zinc/95/34/30/1370953430.db2.gz DYQDLYQYGBALDR-CRAIPNDOSA-N 2 2 325.456 3.242 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206070222 1370953432 /nfs/dbraw/zinc/95/34/32/1370953432.db2.gz DYQDLYQYGBALDR-CRAIPNDOSA-N 2 2 325.456 3.242 20 0 EGADLP COC(=O)[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078606 1370956296 /nfs/dbraw/zinc/95/62/96/1370956296.db2.gz WRYKLTTWKXIZSP-RTBURBONSA-N 2 2 346.515 3.464 20 0 EGADLP COC(=O)[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)CC(C)C ZINC001206078606 1370956301 /nfs/dbraw/zinc/95/63/01/1370956301.db2.gz WRYKLTTWKXIZSP-RTBURBONSA-N 2 2 346.515 3.464 20 0 EGADLP CC(C)(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238672 1371000721 /nfs/dbraw/zinc/00/07/21/1371000721.db2.gz XFMXCZMPMIXUSH-MRXNPFEDSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001117573134 1371053227 /nfs/dbraw/zinc/05/32/27/1371053227.db2.gz SOMPTVSUNCHPID-GTPINHCMSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001117573134 1371053234 /nfs/dbraw/zinc/05/32/34/1371053234.db2.gz SOMPTVSUNCHPID-GTPINHCMSA-N 2 2 339.524 3.144 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc(C(F)(F)F)c1 ZINC001117706585 1371066799 /nfs/dbraw/zinc/06/67/99/1371066799.db2.gz AEIVZWQHESDTNW-UHFFFAOYSA-N 2 2 347.300 3.242 20 0 EGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC001118058518 1371126869 /nfs/dbraw/zinc/12/68/69/1371126869.db2.gz KSOHKOXVMHFKBA-LSTHTHJFSA-N 2 2 326.488 3.410 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206769032 1371158611 /nfs/dbraw/zinc/15/86/11/1371158611.db2.gz MQOWIXHJQHFGKH-WCQYABFASA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc2cc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c(Cl)nc2c1 ZINC001206769757 1371159379 /nfs/dbraw/zinc/15/93/79/1371159379.db2.gz QCLKTLOSWWBNJG-STQMWFEESA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c(Cl)nc2c1 ZINC001206769757 1371159381 /nfs/dbraw/zinc/15/93/81/1371159381.db2.gz QCLKTLOSWWBNJG-STQMWFEESA-N 2 2 333.863 3.456 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206771787 1371160709 /nfs/dbraw/zinc/16/07/09/1371160709.db2.gz XQXYYUMVPLSLFX-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206771787 1371160704 /nfs/dbraw/zinc/16/07/04/1371160704.db2.gz XQXYYUMVPLSLFX-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n1C ZINC001206791828 1371167921 /nfs/dbraw/zinc/16/79/21/1371167921.db2.gz BKPLLYGDMVJSOD-UHFFFAOYSA-N 3 2 344.528 3.278 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n1C ZINC001206791828 1371167923 /nfs/dbraw/zinc/16/79/23/1371167923.db2.gz BKPLLYGDMVJSOD-UHFFFAOYSA-N 3 2 344.528 3.278 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1O ZINC001206808128 1371175599 /nfs/dbraw/zinc/17/55/99/1371175599.db2.gz JSBLMIYQTOZMQK-VXGBXAGGSA-N 2 2 327.266 3.022 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC001118575560 1371200993 /nfs/dbraw/zinc/20/09/93/1371200993.db2.gz GTVYANQYOFTFIQ-CQSZACIVSA-N 2 2 326.469 3.485 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC001118575560 1371200997 /nfs/dbraw/zinc/20/09/97/1371200997.db2.gz GTVYANQYOFTFIQ-CQSZACIVSA-N 2 2 326.469 3.485 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ncccc3F)CC2)c2ccccc2[nH+]1 ZINC001207025987 1371271594 /nfs/dbraw/zinc/27/15/94/1371271594.db2.gz BKFRGVQVUITFJP-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP O=c1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070550 1371285368 /nfs/dbraw/zinc/28/53/68/1371285368.db2.gz WLWMYSBTQQVUDH-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP O=c1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070550 1371285369 /nfs/dbraw/zinc/28/53/69/1371285369.db2.gz WLWMYSBTQQVUDH-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070550 1371285370 /nfs/dbraw/zinc/28/53/70/1371285370.db2.gz WLWMYSBTQQVUDH-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070550 1371285371 /nfs/dbraw/zinc/28/53/71/1371285371.db2.gz WLWMYSBTQQVUDH-OAQYLSRUSA-N 2 2 337.467 3.275 20 0 EGADLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207122686 1371300005 /nfs/dbraw/zinc/30/00/05/1371300005.db2.gz UOTJIWUPSKQDLI-UHFFFAOYSA-N 2 2 325.456 3.274 20 0 EGADLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207122686 1371300011 /nfs/dbraw/zinc/30/00/11/1371300011.db2.gz UOTJIWUPSKQDLI-UHFFFAOYSA-N 2 2 325.456 3.274 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138942 1371306690 /nfs/dbraw/zinc/30/66/90/1371306690.db2.gz HKKVSEJHUALJMJ-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138942 1371306694 /nfs/dbraw/zinc/30/66/94/1371306694.db2.gz HKKVSEJHUALJMJ-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138942 1371306698 /nfs/dbraw/zinc/30/66/98/1371306698.db2.gz HKKVSEJHUALJMJ-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138942 1371306702 /nfs/dbraw/zinc/30/67/02/1371306702.db2.gz HKKVSEJHUALJMJ-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP COCC[N@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188066 1371323935 /nfs/dbraw/zinc/32/39/35/1371323935.db2.gz SKWBDJBLFNAYDB-QFBILLFUSA-N 2 2 336.907 3.486 20 0 EGADLP COCC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188066 1371323937 /nfs/dbraw/zinc/32/39/37/1371323937.db2.gz SKWBDJBLFNAYDB-QFBILLFUSA-N 2 2 336.907 3.486 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(Cl)c1)C2 ZINC001207424649 1371390272 /nfs/dbraw/zinc/39/02/72/1371390272.db2.gz XBKWVZHOKHRJNL-UHFFFAOYSA-N 2 2 346.906 3.435 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(Cl)c1)C2 ZINC001207424649 1371390280 /nfs/dbraw/zinc/39/02/80/1371390280.db2.gz XBKWVZHOKHRJNL-UHFFFAOYSA-N 2 2 346.906 3.435 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cccc(Cl)c1)C2 ZINC001207424649 1371390287 /nfs/dbraw/zinc/39/02/87/1371390287.db2.gz XBKWVZHOKHRJNL-UHFFFAOYSA-N 2 2 346.906 3.435 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cccc(Cl)c1)C2 ZINC001207424649 1371390291 /nfs/dbraw/zinc/39/02/91/1371390291.db2.gz XBKWVZHOKHRJNL-UHFFFAOYSA-N 2 2 346.906 3.435 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001207494690 1371413537 /nfs/dbraw/zinc/41/35/37/1371413537.db2.gz BPTAMIQYGNNDRW-RTBURBONSA-N 2 2 339.458 3.217 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726772 1371487170 /nfs/dbraw/zinc/48/71/70/1371487170.db2.gz ALEGHXAOCNATPV-JKSUJKDBSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726772 1371487172 /nfs/dbraw/zinc/48/71/72/1371487172.db2.gz ALEGHXAOCNATPV-JKSUJKDBSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726772 1371487175 /nfs/dbraw/zinc/48/71/75/1371487175.db2.gz ALEGHXAOCNATPV-JKSUJKDBSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726772 1371487178 /nfs/dbraw/zinc/48/71/78/1371487178.db2.gz ALEGHXAOCNATPV-JKSUJKDBSA-N 2 2 337.558 3.183 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145341 1371609141 /nfs/dbraw/zinc/60/91/41/1371609141.db2.gz UWEBQKZPTKBRNT-QLFBSQMISA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145341 1371609143 /nfs/dbraw/zinc/60/91/43/1371609143.db2.gz UWEBQKZPTKBRNT-QLFBSQMISA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208145341 1371609145 /nfs/dbraw/zinc/60/91/45/1371609145.db2.gz UWEBQKZPTKBRNT-QLFBSQMISA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208145341 1371609146 /nfs/dbraw/zinc/60/91/46/1371609146.db2.gz UWEBQKZPTKBRNT-QLFBSQMISA-N 2 2 325.547 3.181 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)CCCC1 ZINC001208187991 1371625228 /nfs/dbraw/zinc/62/52/28/1371625228.db2.gz RDWSNOLEKOXCTR-UHFFFAOYSA-N 2 2 338.499 3.352 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2CCc3nn(-c4ccccc4)cc3C2)CCCC1 ZINC001208187991 1371625249 /nfs/dbraw/zinc/62/52/49/1371625249.db2.gz RDWSNOLEKOXCTR-UHFFFAOYSA-N 2 2 338.499 3.352 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC001208613196 1371840114 /nfs/dbraw/zinc/84/01/14/1371840114.db2.gz REIUUMUVJWDKIV-AWEZNQCLSA-N 2 2 336.426 3.201 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC001208613196 1371840116 /nfs/dbraw/zinc/84/01/16/1371840116.db2.gz REIUUMUVJWDKIV-AWEZNQCLSA-N 2 2 336.426 3.201 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC001208614424 1371841026 /nfs/dbraw/zinc/84/10/26/1371841026.db2.gz DDUTXYYODKZFJV-CQSZACIVSA-N 2 2 342.314 3.457 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC001208614424 1371841035 /nfs/dbraw/zinc/84/10/35/1371841035.db2.gz DDUTXYYODKZFJV-CQSZACIVSA-N 2 2 342.314 3.457 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844675 /nfs/dbraw/zinc/84/46/75/1371844675.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844678 /nfs/dbraw/zinc/84/46/78/1371844678.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844682 /nfs/dbraw/zinc/84/46/82/1371844682.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619082 1371844687 /nfs/dbraw/zinc/84/46/87/1371844687.db2.gz VDIBZKDGPQZATG-FGZHOGPDSA-N 3 2 341.543 3.316 20 0 EGADLP Clc1ccc(CC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208740856 1371880336 /nfs/dbraw/zinc/88/03/36/1371880336.db2.gz YKOXBXSGQDPRDO-UHFFFAOYSA-N 2 2 342.830 3.174 20 0 EGADLP Clc1ccc(CC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208740856 1371880342 /nfs/dbraw/zinc/88/03/42/1371880342.db2.gz YKOXBXSGQDPRDO-UHFFFAOYSA-N 2 2 342.830 3.174 20 0 EGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCc1ccccc1Br)C2 ZINC001208842047 1371913454 /nfs/dbraw/zinc/91/34/54/1371913454.db2.gz BAHNOVYEKWFPIL-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1[nH+]cc2n1CC[N@H+](CCCc1ccccc1Br)C2 ZINC001208842047 1371913458 /nfs/dbraw/zinc/91/34/58/1371913458.db2.gz BAHNOVYEKWFPIL-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP CCC(=O)C(C)(C)C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001208914947 1371941874 /nfs/dbraw/zinc/94/18/74/1371941874.db2.gz BYWUTEUPRAFQDE-OALUTQOASA-N 2 2 328.500 3.364 20 0 EGADLP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cncs4)CC3)C2)c1 ZINC001209548636 1372134165 /nfs/dbraw/zinc/13/41/65/1372134165.db2.gz ZWAAHUHMQHCCDM-UHFFFAOYSA-N 2 2 349.525 3.072 20 0 EGADLP COc1cc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC001209718112 1372176946 /nfs/dbraw/zinc/17/69/46/1372176946.db2.gz BYBQKGCKYHPOMF-UHFFFAOYSA-N 2 2 346.471 3.263 20 0 EGADLP COc1cc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC001209718112 1372176949 /nfs/dbraw/zinc/17/69/49/1372176949.db2.gz BYBQKGCKYHPOMF-UHFFFAOYSA-N 2 2 346.471 3.263 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)Cc2c[nH+]ccc2N)CC1 ZINC001209733503 1372179346 /nfs/dbraw/zinc/17/93/46/1372179346.db2.gz YRKDGNSUFAGWRU-WKILWMFISA-N 2 2 333.476 3.076 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2c[nH+]ccc2N)CC1 ZINC001209733503 1372179349 /nfs/dbraw/zinc/17/93/49/1372179349.db2.gz YRKDGNSUFAGWRU-WKILWMFISA-N 2 2 333.476 3.076 20 0 EGADLP C[C@H]([NH3+])c1ncc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)s1 ZINC001213205937 1372860480 /nfs/dbraw/zinc/86/04/80/1372860480.db2.gz WXHJIICTTBZLJY-JTQLQIEISA-N 2 2 338.396 3.066 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@H](C)c3cccc(C)c3)ccn12 ZINC001127299417 1373113282 /nfs/dbraw/zinc/11/32/82/1373113282.db2.gz PXURDMSNEAZLTA-MRXNPFEDSA-N 2 2 336.439 3.032 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4cc5c(s4)C[NH2+]CC5)n3)cc2)c[nH+]1 ZINC001217305129 1373421511 /nfs/dbraw/zinc/42/15/11/1373421511.db2.gz HYOBSIAJFFGEJK-UHFFFAOYSA-N 2 2 349.419 3.297 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001130001834 1373444457 /nfs/dbraw/zinc/44/44/57/1373444457.db2.gz YZAWPOOWUMHCHL-ABHNRTSZSA-N 2 2 334.508 3.002 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc(Cl)c1 ZINC001130266288 1373481181 /nfs/dbraw/zinc/48/11/81/1373481181.db2.gz RVHZRZPSGBDMLR-LBPRGKRZSA-N 2 2 342.830 3.297 20 0 EGADLP C[NH2+][C@H]1C[C@H](Oc2cccc(C(=O)C[N@H+](C)Cc3ccccc3)c2)C1 ZINC001217952447 1373517392 /nfs/dbraw/zinc/51/73/92/1373517392.db2.gz ZGDFJUDOXWSWBY-KESTWPANSA-N 2 2 338.451 3.131 20 0 EGADLP C[NH2+][C@H]1C[C@H](Oc2cccc(C(=O)C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC001217952447 1373517399 /nfs/dbraw/zinc/51/73/99/1373517399.db2.gz ZGDFJUDOXWSWBY-KESTWPANSA-N 2 2 338.451 3.131 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc3cccnc32)c(C)[nH+]1 ZINC001131560403 1373721196 /nfs/dbraw/zinc/72/11/96/1373721196.db2.gz LUFUDFLSWOQKMX-UHFFFAOYSA-N 2 2 348.450 3.075 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)c(C)[nH+]1 ZINC001131560579 1373721452 /nfs/dbraw/zinc/72/14/52/1373721452.db2.gz UJLVPCSUWKMHAG-UHFFFAOYSA-N 2 2 337.467 3.404 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC[C@H]2CCCC2(F)F)c(C)[nH+]1 ZINC001131563079 1373721665 /nfs/dbraw/zinc/72/16/65/1373721665.db2.gz XJLDWXBLNOJTGJ-OAHLLOKOSA-N 2 2 339.430 3.152 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001188346830 1388294173 /nfs/dbraw/zinc/29/41/73/1388294173.db2.gz XYWPHLJADJWACW-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)C1 ZINC001326835196 1388325962 /nfs/dbraw/zinc/32/59/62/1388325962.db2.gz SAHDQWWGNSBOHZ-IAGOWNOFSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)C1 ZINC001326835196 1388325967 /nfs/dbraw/zinc/32/59/67/1388325967.db2.gz SAHDQWWGNSBOHZ-IAGOWNOFSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224795658 1375077428 /nfs/dbraw/zinc/07/74/28/1375077428.db2.gz JMQPOPYQSMAPKV-IRXDYDNUSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224795658 1375077433 /nfs/dbraw/zinc/07/74/33/1375077433.db2.gz JMQPOPYQSMAPKV-IRXDYDNUSA-N 2 2 348.535 3.099 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001131976277 1375079065 /nfs/dbraw/zinc/07/90/65/1375079065.db2.gz JFRIPJIWPFTAKJ-QGZVFWFLSA-N 2 2 348.450 3.261 20 0 EGADLP CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132124828 1375158543 /nfs/dbraw/zinc/15/85/43/1375158543.db2.gz QCXOLXWHNLONGE-ZWKOTPCHSA-N 2 2 348.535 3.476 20 0 EGADLP CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132124828 1375158545 /nfs/dbraw/zinc/15/85/45/1375158545.db2.gz QCXOLXWHNLONGE-ZWKOTPCHSA-N 2 2 348.535 3.476 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132221085 1375218039 /nfs/dbraw/zinc/21/80/39/1375218039.db2.gz BTZKEWGCCQJNDJ-DLBZAZTESA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132221085 1375218041 /nfs/dbraw/zinc/21/80/41/1375218041.db2.gz BTZKEWGCCQJNDJ-DLBZAZTESA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226782983 1375333757 /nfs/dbraw/zinc/33/37/57/1375333757.db2.gz ALBIFDXUXCBBLP-UHFFFAOYSA-N 2 2 330.472 3.360 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001226965281 1375373946 /nfs/dbraw/zinc/37/39/46/1375373946.db2.gz UGUVZFVMZDJFOH-QRVBRYPASA-N 2 2 346.519 3.287 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132456784 1375398623 /nfs/dbraw/zinc/39/86/23/1375398623.db2.gz HYPPWPMQQBXUEW-IRXDYDNUSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCCC(C)(C)C ZINC001132456784 1375398629 /nfs/dbraw/zinc/39/86/29/1375398629.db2.gz HYPPWPMQQBXUEW-IRXDYDNUSA-N 2 2 348.535 3.148 20 0 EGADLP CCC/C=C\CC[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001227947738 1375493823 /nfs/dbraw/zinc/49/38/23/1375493823.db2.gz XWYZLDOCLIXDHP-FPLPWBNLSA-N 2 2 346.519 3.254 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132983443 1375693663 /nfs/dbraw/zinc/69/36/63/1375693663.db2.gz ZIEKCEKHBRFJDN-DLBZAZTESA-N 2 2 342.487 3.068 20 0 EGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1C ZINC001133001647 1375704291 /nfs/dbraw/zinc/70/42/91/1375704291.db2.gz DOSWZTOSPIOIPR-KBXCAEBGSA-N 2 2 331.504 3.495 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229384630 1375824757 /nfs/dbraw/zinc/82/47/57/1375824757.db2.gz HTTBECWFJKPUNV-DLBZAZTESA-N 2 2 334.508 3.097 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133245399 1375866148 /nfs/dbraw/zinc/86/61/48/1375866148.db2.gz DJSLIPASKRRVOJ-QVOWHETESA-N 2 2 346.519 3.118 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4c[nH]c5cnccc45)C3)C2)c1 ZINC001231518014 1376254821 /nfs/dbraw/zinc/25/48/21/1376254821.db2.gz LNWCHJRZEMPILO-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4c[nH]c5cnccc45)C3)C2)c1 ZINC001231518014 1376254822 /nfs/dbraw/zinc/25/48/22/1376254822.db2.gz LNWCHJRZEMPILO-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2c[nH]c4cnccc24)C3)c1 ZINC001231518014 1376254825 /nfs/dbraw/zinc/25/48/25/1376254825.db2.gz LNWCHJRZEMPILO-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2c[nH]c4cnccc24)C3)c1 ZINC001231518014 1376254830 /nfs/dbraw/zinc/25/48/30/1376254830.db2.gz LNWCHJRZEMPILO-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232145304 1376408740 /nfs/dbraw/zinc/40/87/40/1376408740.db2.gz OFYUOZCJKBXMGG-BETUJISGSA-N 2 2 348.288 3.314 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232145304 1376408743 /nfs/dbraw/zinc/40/87/43/1376408743.db2.gz OFYUOZCJKBXMGG-BETUJISGSA-N 2 2 348.288 3.314 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232145304 1376408746 /nfs/dbraw/zinc/40/87/46/1376408746.db2.gz OFYUOZCJKBXMGG-BETUJISGSA-N 2 2 348.288 3.314 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(Br)[nH]c4ccccc43)C[C@@H]2C1 ZINC001232145304 1376408749 /nfs/dbraw/zinc/40/87/49/1376408749.db2.gz OFYUOZCJKBXMGG-BETUJISGSA-N 2 2 348.288 3.314 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227312 1376423474 /nfs/dbraw/zinc/42/34/74/1376423474.db2.gz FBWOEUQVQFBRET-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228111 1376424032 /nfs/dbraw/zinc/42/40/32/1376424032.db2.gz LPKYVXIYGVNXQC-HZPDHXFCSA-N 2 2 346.519 3.186 20 0 EGADLP CSc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232351930 1376446388 /nfs/dbraw/zinc/44/63/88/1376446388.db2.gz SHYQINGQGBWSFK-INIZCTEOSA-N 2 2 329.469 3.469 20 0 EGADLP CSc1cc(C)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232351930 1376446393 /nfs/dbraw/zinc/44/63/93/1376446393.db2.gz SHYQINGQGBWSFK-INIZCTEOSA-N 2 2 329.469 3.469 20 0 EGADLP CC[N@H+](Cc1cc(O)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001232998221 1376553202 /nfs/dbraw/zinc/55/32/02/1376553202.db2.gz LKSRWJAKCLJAHX-UHFFFAOYSA-N 2 2 327.266 3.071 20 0 EGADLP CC[N@@H+](Cc1cc(O)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001232998221 1376553209 /nfs/dbraw/zinc/55/32/09/1376553209.db2.gz LKSRWJAKCLJAHX-UHFFFAOYSA-N 2 2 327.266 3.071 20 0 EGADLP C[C@@H](CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)n1cc[nH+]c1 ZINC001134499215 1376570979 /nfs/dbraw/zinc/57/09/79/1376570979.db2.gz YPSUCRFMJOTJAR-INIZCTEOSA-N 2 2 340.471 3.008 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)cc(OC)c1 ZINC001233216890 1376589171 /nfs/dbraw/zinc/58/91/71/1376589171.db2.gz FLGJBXCSFGEORU-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)cc(OC)c1 ZINC001233216890 1376589173 /nfs/dbraw/zinc/58/91/73/1376589173.db2.gz FLGJBXCSFGEORU-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)sn1 ZINC001233310556 1376608757 /nfs/dbraw/zinc/60/87/57/1376608757.db2.gz LNWLBXOVGXZBTL-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cnsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233322281 1376615693 /nfs/dbraw/zinc/61/56/93/1376615693.db2.gz ZBYVSOWBYYFMNK-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233322281 1376615699 /nfs/dbraw/zinc/61/56/99/1376615699.db2.gz ZBYVSOWBYYFMNK-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233322281 1376615703 /nfs/dbraw/zinc/61/57/03/1376615703.db2.gz ZBYVSOWBYYFMNK-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233322281 1376615707 /nfs/dbraw/zinc/61/57/07/1376615707.db2.gz ZBYVSOWBYYFMNK-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCC1 ZINC001134739560 1376689534 /nfs/dbraw/zinc/68/95/34/1376689534.db2.gz GSGHPDSABJOUQX-KGLIPLIRSA-N 2 2 328.460 3.240 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001134743869 1376691987 /nfs/dbraw/zinc/69/19/87/1376691987.db2.gz FAVQVITUZXZJAP-JKSUJKDBSA-N 2 2 345.487 3.006 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cccs1)CC2 ZINC001235019897 1376827019 /nfs/dbraw/zinc/82/70/19/1376827019.db2.gz PSHUZKLFRGABIH-UHFFFAOYSA-N 2 2 328.481 3.394 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cccs1)CC2 ZINC001235019897 1376827023 /nfs/dbraw/zinc/82/70/23/1376827023.db2.gz PSHUZKLFRGABIH-UHFFFAOYSA-N 2 2 328.481 3.394 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021509 1376828834 /nfs/dbraw/zinc/82/88/34/1376828834.db2.gz JBAKDNWINDJEGU-FQEVSTJZSA-N 2 2 326.440 3.149 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235021509 1376828847 /nfs/dbraw/zinc/82/88/47/1376828847.db2.gz JBAKDNWINDJEGU-FQEVSTJZSA-N 2 2 326.440 3.149 20 0 EGADLP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)cn2C ZINC001235046253 1376841455 /nfs/dbraw/zinc/84/14/55/1376841455.db2.gz OGXOBPPOYOKCSH-FQEVSTJZSA-N 2 2 327.472 3.295 20 0 EGADLP COc1ccc2c(c1)c(C[N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)cn2C ZINC001235046253 1376841461 /nfs/dbraw/zinc/84/14/61/1376841461.db2.gz OGXOBPPOYOKCSH-FQEVSTJZSA-N 2 2 327.472 3.295 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc(C)c1OC(C)C ZINC001235121668 1376853376 /nfs/dbraw/zinc/85/33/76/1376853376.db2.gz VKAUXRSIUKEWLN-FQEVSTJZSA-N 2 2 332.488 3.045 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc(C)c1OC(C)C ZINC001235121668 1376853381 /nfs/dbraw/zinc/85/33/81/1376853381.db2.gz VKAUXRSIUKEWLN-FQEVSTJZSA-N 2 2 332.488 3.045 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CCCC1CCCC1 ZINC001135056425 1376871899 /nfs/dbraw/zinc/87/18/99/1376871899.db2.gz MHRZPIXORNMKKT-SJORKVTESA-N 2 2 348.535 3.196 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001135080125 1376883917 /nfs/dbraw/zinc/88/39/17/1376883917.db2.gz LDOHXDWRZPMWKK-CXAGYDPISA-N 2 2 348.878 3.099 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001135080125 1376883924 /nfs/dbraw/zinc/88/39/24/1376883924.db2.gz LDOHXDWRZPMWKK-CXAGYDPISA-N 2 2 348.878 3.099 20 0 EGADLP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097374 1376894705 /nfs/dbraw/zinc/89/47/05/1376894705.db2.gz MFESRRXRLUADFT-SJORKVTESA-N 2 2 342.487 3.405 20 0 EGADLP CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097921 1376896330 /nfs/dbraw/zinc/89/63/30/1376896330.db2.gz RRAKHNRAZUUAJD-HZPDHXFCSA-N 2 2 328.460 3.159 20 0 EGADLP COCC[N@H+](Cc1cc(Cl)ccc1SC)C1CC[NH2+]CC1 ZINC001235945052 1376922333 /nfs/dbraw/zinc/92/23/33/1376922333.db2.gz RHXFKIVPNBUVIF-UHFFFAOYSA-N 2 2 328.909 3.262 20 0 EGADLP COCC[N@@H+](Cc1cc(Cl)ccc1SC)C1CC[NH2+]CC1 ZINC001235945052 1376922338 /nfs/dbraw/zinc/92/23/38/1376922338.db2.gz RHXFKIVPNBUVIF-UHFFFAOYSA-N 2 2 328.909 3.262 20 0 EGADLP COc1ccccc1S[C@@H]1CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236229813 1376942988 /nfs/dbraw/zinc/94/29/88/1376942988.db2.gz FKZDVDPTSWBMHR-QZTJIDSGSA-N 2 2 342.508 3.432 20 0 EGADLP COc1ccccc1S[C@@H]1CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001236229813 1376942999 /nfs/dbraw/zinc/94/29/99/1376942999.db2.gz FKZDVDPTSWBMHR-QZTJIDSGSA-N 2 2 342.508 3.432 20 0 EGADLP C[C@H](Cc1ccccn1)[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246939479 1377056130 /nfs/dbraw/zinc/05/61/30/1377056130.db2.gz VQTKDVLLSRYEOL-OXQOHEQNSA-N 2 2 327.447 3.406 20 0 EGADLP C[C@H](Cc1ccccn1)[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246939479 1377056134 /nfs/dbraw/zinc/05/61/34/1377056134.db2.gz VQTKDVLLSRYEOL-OXQOHEQNSA-N 2 2 327.447 3.406 20 0 EGADLP Cc1cc[nH+]c(C)c1Nc1cc[nH+]cc1CNC(=O)OC(C)(C)C ZINC001249818281 1377079443 /nfs/dbraw/zinc/07/94/43/1377079443.db2.gz UVHWYNQYPGTLOX-UHFFFAOYSA-N 2 2 328.416 3.284 20 0 EGADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2c(F)cc(Br)cc2F)CC1 ZINC001254508511 1377105444 /nfs/dbraw/zinc/10/54/44/1377105444.db2.gz KAAPOYSQFGKHSI-LLVKDONJSA-N 2 2 333.220 3.301 20 0 EGADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2c(F)cc(Br)cc2F)CC1 ZINC001254508511 1377105448 /nfs/dbraw/zinc/10/54/48/1377105448.db2.gz KAAPOYSQFGKHSI-LLVKDONJSA-N 2 2 333.220 3.301 20 0 EGADLP Cc1cccn2cc(CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)C)[nH+]c12 ZINC001135680325 1377182074 /nfs/dbraw/zinc/18/20/74/1377182074.db2.gz UPNOOBVLSNQTAI-SJORKVTESA-N 2 2 344.503 3.104 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840911 1377229014 /nfs/dbraw/zinc/22/90/14/1377229014.db2.gz RHJJYBIDOLPQLN-JKSUJKDBSA-N 2 2 340.471 3.159 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001135944315 1377272445 /nfs/dbraw/zinc/27/24/45/1377272445.db2.gz IINDUHSRSRCDBC-HOTGVXAUSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001136031650 1377305856 /nfs/dbraw/zinc/30/58/56/1377305856.db2.gz OCWURKABQXECMX-CABCVRRESA-N 2 2 334.508 3.104 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001136031653 1377305863 /nfs/dbraw/zinc/30/58/63/1377305863.db2.gz OCWURKABQXECMX-LSDHHAIUSA-N 2 2 334.508 3.104 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001136032353 1377305967 /nfs/dbraw/zinc/30/59/67/1377305967.db2.gz ZKQOLMJQCUZBPQ-LSDHHAIUSA-N 2 2 346.519 3.104 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)CC(C)C ZINC001136649119 1377413458 /nfs/dbraw/zinc/41/34/58/1377413458.db2.gz KIPCCTZJOLFOFF-QGZVFWFLSA-N 2 2 330.476 3.129 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267208965 1377431069 /nfs/dbraw/zinc/43/10/69/1377431069.db2.gz DBWFOHDXJNWRBM-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267208965 1377431071 /nfs/dbraw/zinc/43/10/71/1377431071.db2.gz DBWFOHDXJNWRBM-QGZVFWFLSA-N 2 2 348.878 3.126 20 0 EGADLP CC1(CNC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CCC2CCCC2)CC1 ZINC001270886476 1377616344 /nfs/dbraw/zinc/61/63/44/1377616344.db2.gz YTFMQGYQIJMKOO-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC1(CNC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CCC2CCCC2)CC1 ZINC001270886476 1377616347 /nfs/dbraw/zinc/61/63/47/1377616347.db2.gz YTFMQGYQIJMKOO-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCN(C)c3nc(C)ccc3C2)cc1 ZINC001138543304 1377739825 /nfs/dbraw/zinc/73/98/25/1377739825.db2.gz RFWASZYKBZQUPK-UHFFFAOYSA-N 2 2 347.466 3.336 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCN(C)c3nc(C)ccc3C2)cc1 ZINC001138543304 1377739828 /nfs/dbraw/zinc/73/98/28/1377739828.db2.gz RFWASZYKBZQUPK-UHFFFAOYSA-N 2 2 347.466 3.336 20 0 EGADLP CNc1ncccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001138693233 1377768737 /nfs/dbraw/zinc/76/87/37/1377768737.db2.gz PWNOKDSKNQICGO-OAQYLSRUSA-N 2 2 336.483 3.221 20 0 EGADLP CNc1ncccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001138693233 1377768738 /nfs/dbraw/zinc/76/87/38/1377768738.db2.gz PWNOKDSKNQICGO-OAQYLSRUSA-N 2 2 336.483 3.221 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001138693233 1377768740 /nfs/dbraw/zinc/76/87/40/1377768740.db2.gz PWNOKDSKNQICGO-OAQYLSRUSA-N 2 2 336.483 3.221 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001138693233 1377768742 /nfs/dbraw/zinc/76/87/42/1377768742.db2.gz PWNOKDSKNQICGO-OAQYLSRUSA-N 2 2 336.483 3.221 20 0 EGADLP c1cc2cccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808233 1377788424 /nfs/dbraw/zinc/78/84/24/1377788424.db2.gz NHJKWHZJPNDXKC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cc2cccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808233 1377788425 /nfs/dbraw/zinc/78/84/25/1377788425.db2.gz NHJKWHZJPNDXKC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cc2cccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808233 1377788426 /nfs/dbraw/zinc/78/84/26/1377788426.db2.gz NHJKWHZJPNDXKC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cc2cccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)n2n1 ZINC001138808233 1377788427 /nfs/dbraw/zinc/78/84/27/1377788427.db2.gz NHJKWHZJPNDXKC-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc21 ZINC001139187600 1377846498 /nfs/dbraw/zinc/84/64/98/1377846498.db2.gz MHEDLTADXICJCR-SFTDATJTSA-N 2 2 346.478 3.137 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC001139213544 1377853122 /nfs/dbraw/zinc/85/31/22/1377853122.db2.gz AYYIAQQWSJVDOI-AWEZNQCLSA-N 2 2 326.425 3.048 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC001139213544 1377853123 /nfs/dbraw/zinc/85/31/23/1377853123.db2.gz AYYIAQQWSJVDOI-AWEZNQCLSA-N 2 2 326.425 3.048 20 0 EGADLP CC1(C)CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139765749 1377948134 /nfs/dbraw/zinc/94/81/34/1377948134.db2.gz CPICVHUICTVAFD-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2c[nH]c3ncnc(Cl)c23)C2CCCC2)CC1 ZINC001139943459 1377979891 /nfs/dbraw/zinc/97/98/91/1377979891.db2.gz CPZZJFFZCCXARM-UHFFFAOYSA-N 2 2 347.894 3.402 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2c[nH]c3ncnc(Cl)c23)C2CCCC2)CC1 ZINC001139943459 1377979892 /nfs/dbraw/zinc/97/98/92/1377979892.db2.gz CPZZJFFZCCXARM-UHFFFAOYSA-N 2 2 347.894 3.402 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1OC ZINC001140155764 1378022740 /nfs/dbraw/zinc/02/27/40/1378022740.db2.gz KLPGWMNJQRNFJU-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP Oc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC001140630284 1378101122 /nfs/dbraw/zinc/10/11/22/1378101122.db2.gz PONKYMHSSOXZBA-CQSZACIVSA-N 2 2 336.338 3.042 20 0 EGADLP Oc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC001140630284 1378101124 /nfs/dbraw/zinc/10/11/24/1378101124.db2.gz PONKYMHSSOXZBA-CQSZACIVSA-N 2 2 336.338 3.042 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140643702 1378104278 /nfs/dbraw/zinc/10/42/78/1378104278.db2.gz IVWFHFBGQLPPGQ-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140643702 1378104282 /nfs/dbraw/zinc/10/42/82/1378104282.db2.gz IVWFHFBGQLPPGQ-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111430 1378116885 /nfs/dbraw/zinc/11/68/85/1378116885.db2.gz ZCMCPZIVGKNAGJ-OXQOHEQNSA-N 2 2 340.471 3.090 20 0 EGADLP CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001274111430 1378116889 /nfs/dbraw/zinc/11/68/89/1378116889.db2.gz ZCMCPZIVGKNAGJ-OXQOHEQNSA-N 2 2 340.471 3.090 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1NC(=O)OC(C)(C)C ZINC001140802486 1378141551 /nfs/dbraw/zinc/14/15/51/1378141551.db2.gz WSNDTQAOXCTZIR-CXAGYDPISA-N 2 2 344.459 3.298 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1NC(=O)OC(C)(C)C ZINC001140802486 1378141553 /nfs/dbraw/zinc/14/15/53/1378141553.db2.gz WSNDTQAOXCTZIR-CXAGYDPISA-N 2 2 344.459 3.298 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001140805344 1378143182 /nfs/dbraw/zinc/14/31/82/1378143182.db2.gz BMWQRZDOWMYNJE-LAUBAEHRSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001140805344 1378143183 /nfs/dbraw/zinc/14/31/83/1378143183.db2.gz BMWQRZDOWMYNJE-LAUBAEHRSA-N 2 2 332.451 3.269 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807423 1378145601 /nfs/dbraw/zinc/14/56/01/1378145601.db2.gz YUSKTGHHGNMHGB-UKRRQHHQSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807423 1378145604 /nfs/dbraw/zinc/14/56/04/1378145604.db2.gz YUSKTGHHGNMHGB-UKRRQHHQSA-N 2 2 344.459 3.441 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001275633174 1378148892 /nfs/dbraw/zinc/14/88/92/1378148892.db2.gz WPQQTLQCLKNBQT-ZLPCBKJTSA-N 2 2 348.535 3.302 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(Cl)c1 ZINC001140823897 1378152094 /nfs/dbraw/zinc/15/20/94/1378152094.db2.gz SHDIAYQAKOXTQB-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001276365585 1378173260 /nfs/dbraw/zinc/17/32/60/1378173260.db2.gz RNQTYTVHYGHDRS-MQVJKMGUSA-N 2 2 346.475 3.143 20 0 EGADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC001276365585 1378173264 /nfs/dbraw/zinc/17/32/64/1378173264.db2.gz RNQTYTVHYGHDRS-MQVJKMGUSA-N 2 2 346.475 3.143 20 0 EGADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873634 1378190725 /nfs/dbraw/zinc/19/07/25/1378190725.db2.gz YKQWRXSRTMFABO-NRFANRHFSA-N 2 2 342.531 3.380 20 0 EGADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873634 1378190730 /nfs/dbraw/zinc/19/07/30/1378190730.db2.gz YKQWRXSRTMFABO-NRFANRHFSA-N 2 2 342.531 3.380 20 0 EGADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873634 1378190732 /nfs/dbraw/zinc/19/07/32/1378190732.db2.gz YKQWRXSRTMFABO-NRFANRHFSA-N 2 2 342.531 3.380 20 0 EGADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873634 1378190737 /nfs/dbraw/zinc/19/07/37/1378190737.db2.gz YKQWRXSRTMFABO-NRFANRHFSA-N 2 2 342.531 3.380 20 0 EGADLP Fc1cccc(N2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1F ZINC001277031932 1378201396 /nfs/dbraw/zinc/20/13/96/1378201396.db2.gz AQUGJZFXPFKYNB-IYBDPMFKSA-N 2 2 346.425 3.010 20 0 EGADLP Fc1cccc(N2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1F ZINC001277031932 1378201399 /nfs/dbraw/zinc/20/13/99/1378201399.db2.gz AQUGJZFXPFKYNB-IYBDPMFKSA-N 2 2 346.425 3.010 20 0 EGADLP COCC[N@H+](Cc1ccc(-c2ccccn2)s1)C1CC[NH+](C)CC1 ZINC001141000788 1378205678 /nfs/dbraw/zinc/20/56/78/1378205678.db2.gz OMKLIFIBLPQABB-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP COCC[N@@H+](Cc1ccc(-c2ccccn2)s1)C1CC[NH+](C)CC1 ZINC001141000788 1378205684 /nfs/dbraw/zinc/20/56/84/1378205684.db2.gz OMKLIFIBLPQABB-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)c1cc2c([nH]1)C[N@H+](CCC1CC1)CC2 ZINC001280274268 1378339482 /nfs/dbraw/zinc/33/94/82/1378339482.db2.gz MPDABUYGNWLQMD-UHFFFAOYSA-N 2 2 349.438 3.073 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)c1cc2c([nH]1)C[N@@H+](CCC1CC1)CC2 ZINC001280274268 1378339487 /nfs/dbraw/zinc/33/94/87/1378339487.db2.gz MPDABUYGNWLQMD-UHFFFAOYSA-N 2 2 349.438 3.073 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC(F)F)c(OC(F)F)c1 ZINC001142808962 1378489171 /nfs/dbraw/zinc/48/91/71/1378489171.db2.gz NVOTWDPXIWXXHP-UHFFFAOYSA-N 2 2 338.345 3.273 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC(F)F)c(OC(F)F)c1 ZINC001142808962 1378489172 /nfs/dbraw/zinc/48/91/72/1378489172.db2.gz NVOTWDPXIWXXHP-UHFFFAOYSA-N 2 2 338.345 3.273 20 0 EGADLP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001143148223 1378548542 /nfs/dbraw/zinc/54/85/42/1378548542.db2.gz ZKBBFLJCYTXQND-MRXNPFEDSA-N 2 2 342.439 3.369 20 0 EGADLP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001143148223 1378548547 /nfs/dbraw/zinc/54/85/47/1378548547.db2.gz ZKBBFLJCYTXQND-MRXNPFEDSA-N 2 2 342.439 3.369 20 0 EGADLP c1c2cccnc2[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001143222826 1378564568 /nfs/dbraw/zinc/56/45/68/1378564568.db2.gz DOYVZJSZIGMGGN-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447005 1378597975 /nfs/dbraw/zinc/59/79/75/1378597975.db2.gz NFCKIUXNPSXHRS-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447005 1378597980 /nfs/dbraw/zinc/59/79/80/1378597980.db2.gz NFCKIUXNPSXHRS-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447005 1378597983 /nfs/dbraw/zinc/59/79/83/1378597983.db2.gz NFCKIUXNPSXHRS-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(OC(F)(F)F)c3)C2)C1 ZINC001143447005 1378597985 /nfs/dbraw/zinc/59/79/85/1378597985.db2.gz NFCKIUXNPSXHRS-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143691103 1378635576 /nfs/dbraw/zinc/63/55/76/1378635576.db2.gz APVDBUAXYNOLOJ-UHFFFAOYSA-N 2 2 348.491 3.346 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143691103 1378635577 /nfs/dbraw/zinc/63/55/77/1378635577.db2.gz APVDBUAXYNOLOJ-UHFFFAOYSA-N 2 2 348.491 3.346 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(F)c1Br)CC2 ZINC001143824102 1378650542 /nfs/dbraw/zinc/65/05/42/1378650542.db2.gz RCILDOYVRDLTGF-UHFFFAOYSA-N 2 2 345.231 3.255 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn2cc[nH+]c2)cs1 ZINC001146713289 1378906068 /nfs/dbraw/zinc/90/60/68/1378906068.db2.gz IZYKYLAMHMNXPN-HUUCEWRRSA-N 2 2 348.516 3.106 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2ccn(C)c2c1 ZINC001146987404 1378952406 /nfs/dbraw/zinc/95/24/06/1378952406.db2.gz UFGQHUUDLNVTFT-UHFFFAOYSA-N 2 2 331.379 3.320 20 0 EGADLP CCCCCC[N@@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147788074 1379078817 /nfs/dbraw/zinc/07/88/17/1379078817.db2.gz UKADFMRVWDRSQC-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP CCCCCC[N@H+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001147788074 1379078820 /nfs/dbraw/zinc/07/88/20/1379078820.db2.gz UKADFMRVWDRSQC-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760341 1380123459 /nfs/dbraw/zinc/12/34/59/1380123459.db2.gz HHNSDZWREBTENU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760341 1380123461 /nfs/dbraw/zinc/12/34/61/1380123461.db2.gz HHNSDZWREBTENU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760341 1380123462 /nfs/dbraw/zinc/12/34/62/1380123462.db2.gz HHNSDZWREBTENU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760341 1380123464 /nfs/dbraw/zinc/12/34/64/1380123464.db2.gz HHNSDZWREBTENU-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994554 1380173288 /nfs/dbraw/zinc/17/32/88/1380173288.db2.gz LSYPBARWOSVPSA-QGZVFWFLSA-N 2 2 346.519 3.254 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994554 1380173291 /nfs/dbraw/zinc/17/32/91/1380173291.db2.gz LSYPBARWOSVPSA-QGZVFWFLSA-N 2 2 346.519 3.254 20 0 EGADLP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015622 1380181125 /nfs/dbraw/zinc/18/11/25/1380181125.db2.gz RBUWEHXACPEEPU-CQSZACIVSA-N 2 2 342.487 3.439 20 0 EGADLP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015622 1380181128 /nfs/dbraw/zinc/18/11/28/1380181128.db2.gz RBUWEHXACPEEPU-CQSZACIVSA-N 2 2 342.487 3.439 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083347 1380201972 /nfs/dbraw/zinc/20/19/72/1380201972.db2.gz RWIUCUQOMYWLBL-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083347 1380201975 /nfs/dbraw/zinc/20/19/75/1380201975.db2.gz RWIUCUQOMYWLBL-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP FC(F)(c1nc(Cl)cc(Cl)n1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053284 1380399228 /nfs/dbraw/zinc/39/92/28/1380399228.db2.gz LYNHQRBJKQTDFM-UHFFFAOYSA-N 2 2 348.184 3.045 20 0 EGADLP CSc1nc2ccsc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155058039 1380400117 /nfs/dbraw/zinc/40/01/17/1380400117.db2.gz RHKYSYVDIGIJEU-UHFFFAOYSA-N 2 2 331.470 3.066 20 0 EGADLP CCOc1ccc(-c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nn2)cc1 ZINC001155063468 1380401028 /nfs/dbraw/zinc/40/10/28/1380401028.db2.gz CFVRISPCMBYARV-UHFFFAOYSA-N 2 2 349.438 3.195 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155188859 1380420966 /nfs/dbraw/zinc/42/09/66/1380420966.db2.gz DFDWQWDZNKUZLV-WBVHZDCISA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155188859 1380420968 /nfs/dbraw/zinc/42/09/68/1380420968.db2.gz DFDWQWDZNKUZLV-WBVHZDCISA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189818 1380422055 /nfs/dbraw/zinc/42/20/55/1380422055.db2.gz WDYPCQQKGWRNEI-ZBFHGGJFSA-N 2 2 346.519 3.092 20 0 EGADLP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189818 1380422056 /nfs/dbraw/zinc/42/20/56/1380422056.db2.gz WDYPCQQKGWRNEI-ZBFHGGJFSA-N 2 2 346.519 3.092 20 0 EGADLP C[NH+](C)C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(Cl)cc1 ZINC001155641400 1380477785 /nfs/dbraw/zinc/47/77/85/1380477785.db2.gz BAWJMMBAFNRNTL-KRWDZBQOSA-N 2 2 342.830 3.249 20 0 EGADLP C[C@@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001157438947 1380896291 /nfs/dbraw/zinc/89/62/91/1380896291.db2.gz QKLIZPDKYKZZEL-XHSDSOJGSA-N 2 2 330.476 3.272 20 0 EGADLP C[C@@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001157438947 1380896305 /nfs/dbraw/zinc/89/63/05/1380896305.db2.gz QKLIZPDKYKZZEL-XHSDSOJGSA-N 2 2 330.476 3.272 20 0 EGADLP CCC[NH+]1C[C@@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)C[C@H]2C1 ZINC001157691166 1381004001 /nfs/dbraw/zinc/00/40/01/1381004001.db2.gz HVRVXCAQXAHAMJ-HZPDHXFCSA-N 2 2 325.456 3.330 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050355 1381113387 /nfs/dbraw/zinc/11/33/87/1381113387.db2.gz PFUQAERDUPKBAZ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050355 1381113391 /nfs/dbraw/zinc/11/33/91/1381113391.db2.gz PFUQAERDUPKBAZ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050355 1381113398 /nfs/dbraw/zinc/11/33/98/1381113398.db2.gz PFUQAERDUPKBAZ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050355 1381113400 /nfs/dbraw/zinc/11/34/00/1381113400.db2.gz PFUQAERDUPKBAZ-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+][C@@H](C)c3ccccc3)ccn12 ZINC001158062241 1381118006 /nfs/dbraw/zinc/11/80/06/1381118006.db2.gz QXYWRWYUMWFICJ-INIZCTEOSA-N 2 2 336.439 3.113 20 0 EGADLP CCOC(=O)Cc1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001158266836 1381178598 /nfs/dbraw/zinc/17/85/98/1381178598.db2.gz USRKZHOFCPFLPW-HNAYVOBHSA-N 2 2 333.476 3.143 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc4c(Cl)ccc(F)c4n3)CC2)C1 ZINC001158268279 1381179312 /nfs/dbraw/zinc/17/93/12/1381179312.db2.gz KDGMULQEGVODET-GFCCVEGCSA-N 2 2 348.853 3.029 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc4c(Cl)ccc(F)c4n3)CC2)C1 ZINC001158268279 1381179318 /nfs/dbraw/zinc/17/93/18/1381179318.db2.gz KDGMULQEGVODET-GFCCVEGCSA-N 2 2 348.853 3.029 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001158300750 1381191867 /nfs/dbraw/zinc/19/18/67/1381191867.db2.gz OWSBBJPQJGYDGX-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001158300750 1381191870 /nfs/dbraw/zinc/19/18/70/1381191870.db2.gz OWSBBJPQJGYDGX-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491715 1381266115 /nfs/dbraw/zinc/26/61/15/1381266115.db2.gz XOBNLVXVFSPOAC-KZNAEPCWSA-N 2 2 346.519 3.027 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001158491715 1381266122 /nfs/dbraw/zinc/26/61/22/1381266122.db2.gz XOBNLVXVFSPOAC-KZNAEPCWSA-N 2 2 346.519 3.027 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCCC(C)(C)C ZINC001328281991 1388713718 /nfs/dbraw/zinc/71/37/18/1388713718.db2.gz FNLAVFKJRFHNSI-SJORKVTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCCC(C)(C)C ZINC001328281991 1388713719 /nfs/dbraw/zinc/71/37/19/1388713719.db2.gz FNLAVFKJRFHNSI-SJORKVTESA-N 2 2 348.535 3.148 20 0 EGADLP C[N@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955704 1381483982 /nfs/dbraw/zinc/48/39/82/1381483982.db2.gz SVQQAADYKAZFFW-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCCC1)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955704 1381483996 /nfs/dbraw/zinc/48/39/96/1381483996.db2.gz SVQQAADYKAZFFW-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC001328355215 1388728965 /nfs/dbraw/zinc/72/89/65/1388728965.db2.gz CRFCWIUXQZYBTM-GFCCVEGCSA-N 2 2 340.358 3.121 20 0 EGADLP CC(C)n1c[nH+]c2cc(Nc3ccc(N4CC[NH2+]CC4)cn3)ccc21 ZINC001159123142 1381618932 /nfs/dbraw/zinc/61/89/32/1381618932.db2.gz YFOWLNFBBQQQCJ-UHFFFAOYSA-N 2 2 336.443 3.165 20 0 EGADLP CC(C)n1c[nH+]c2cc(Nc3ccc(N4CC[NH2+]CC4)nc3)ccc21 ZINC001159164678 1381693063 /nfs/dbraw/zinc/69/30/63/1381693063.db2.gz OQQFNDXFGFIYJL-UHFFFAOYSA-N 2 2 336.443 3.165 20 0 EGADLP Brc1cc(Nc2cccc3c2CC[NH2+]C3)c2[nH+]ccn2c1 ZINC001159170301 1381707005 /nfs/dbraw/zinc/70/70/05/1381707005.db2.gz JMAJITBIFMJLMX-UHFFFAOYSA-N 2 2 343.228 3.486 20 0 EGADLP CCOc1ncc(Cl)cc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159262834 1381746989 /nfs/dbraw/zinc/74/69/89/1381746989.db2.gz ZXAYXQVOLKLTQZ-UHFFFAOYSA-N 2 2 347.850 3.200 20 0 EGADLP [NH3+]CCOc1cccc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001159269124 1381747563 /nfs/dbraw/zinc/74/75/63/1381747563.db2.gz VHVZHOCUZLNGTD-UHFFFAOYSA-N 2 2 347.216 3.178 20 0 EGADLP Fc1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001160141311 1382012923 /nfs/dbraw/zinc/01/29/23/1382012923.db2.gz HWMGULATOCPCGC-OAHLLOKOSA-N 2 2 342.418 3.305 20 0 EGADLP Cc1[nH+]cc(Nc2cccc(F)c2OCC2CC[NH2+]CC2)cc1N ZINC001160194855 1382029777 /nfs/dbraw/zinc/02/97/77/1382029777.db2.gz JKCGZCILZCXDDC-UHFFFAOYSA-N 2 2 330.407 3.233 20 0 EGADLP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330707 1382074751 /nfs/dbraw/zinc/07/47/51/1382074751.db2.gz IRSOMEJZKNRKCO-PLNGDYQASA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330707 1382074758 /nfs/dbraw/zinc/07/47/58/1382074758.db2.gz IRSOMEJZKNRKCO-PLNGDYQASA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330707 1382074763 /nfs/dbraw/zinc/07/47/63/1382074763.db2.gz IRSOMEJZKNRKCO-PLNGDYQASA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330707 1382074773 /nfs/dbraw/zinc/07/47/73/1382074773.db2.gz IRSOMEJZKNRKCO-PLNGDYQASA-N 2 2 344.503 3.227 20 0 EGADLP Cc1cc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cc(C)[nH+]1 ZINC001160350906 1382080225 /nfs/dbraw/zinc/08/02/25/1382080225.db2.gz UZXXOJVEVGXYCQ-KRWDZBQOSA-N 2 2 333.382 3.240 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001160528606 1382132300 /nfs/dbraw/zinc/13/23/00/1382132300.db2.gz RTMOZOXYXOGYJY-GOSISDBHSA-N 2 2 332.492 3.067 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1N(Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001160661157 1382163587 /nfs/dbraw/zinc/16/35/87/1382163587.db2.gz FBZPPWGUZIHPQP-AWEZNQCLSA-N 2 2 341.455 3.086 20 0 EGADLP Cc1cccn2c([C@H](C)Nc3nccc(C4CC[NH2+]CC4)n3)c[nH+]c12 ZINC001160686968 1382170670 /nfs/dbraw/zinc/17/06/70/1382170670.db2.gz VOMROSJPLZASON-AWEZNQCLSA-N 2 2 336.443 3.073 20 0 EGADLP O=C(NCCC[NH2+]CCCCC(F)(F)F)c1cc2c[nH+]ccc2[nH]1 ZINC001160993006 1382265317 /nfs/dbraw/zinc/26/53/17/1382265317.db2.gz XCEGFJHZHRFYNX-UHFFFAOYSA-N 2 2 342.365 3.005 20 0 EGADLP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160993320 1382265956 /nfs/dbraw/zinc/26/59/56/1382265956.db2.gz ZWMZVVMPIORGFX-UHFFFAOYSA-N 2 2 340.471 3.243 20 0 EGADLP CSCc1cc[nH+]c(NCC2(c3cccnc3)CC[NH2+]CC2)c1 ZINC001162039230 1382611313 /nfs/dbraw/zinc/61/13/13/1382611313.db2.gz CFKRJTRBCOMHIU-UHFFFAOYSA-N 2 2 328.485 3.073 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001162471745 1382768084 /nfs/dbraw/zinc/76/80/84/1382768084.db2.gz QKNBMLCCUMHIGA-JKSUJKDBSA-N 2 2 326.444 3.103 20 0 EGADLP FC(F)(F)c1cccc2cc[nH+]c(N[C@@H]3COCCC34C[NH2+]C4)c21 ZINC001163069955 1382959423 /nfs/dbraw/zinc/95/94/23/1382959423.db2.gz SCFIRAMOHANKTO-CYBMUJFWSA-N 2 2 337.345 3.044 20 0 EGADLP CN(Cc1cccc2cccnc21)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165068990 1383221462 /nfs/dbraw/zinc/22/14/62/1383221462.db2.gz QRGOLMSWIMXEGX-UHFFFAOYSA-N 2 2 347.466 3.018 20 0 EGADLP CN(C)c1cccc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)[nH+]1 ZINC001166907799 1383497612 /nfs/dbraw/zinc/49/76/12/1383497612.db2.gz HYKNXNFLROOZDK-UHFFFAOYSA-N 2 2 339.270 3.420 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167432238 1383632390 /nfs/dbraw/zinc/63/23/90/1383632390.db2.gz KLJVJADVAISDEB-OAHLLOKOSA-N 2 2 348.878 3.092 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1Cl ZINC001167435909 1383633700 /nfs/dbraw/zinc/63/37/00/1383633700.db2.gz UGLRTSWEOAWNMD-LSDHHAIUSA-N 2 2 348.878 3.345 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001167834738 1383753325 /nfs/dbraw/zinc/75/33/25/1383753325.db2.gz MPFJVCLMRZSHEZ-QGZVFWFLSA-N 3 2 348.535 3.159 20 0 EGADLP COc1cc2c(cc1OC)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001168001768 1383793165 /nfs/dbraw/zinc/79/31/65/1383793165.db2.gz HKYGFIIHEVLAET-DFNIBXOVSA-N 2 2 342.483 3.425 20 0 EGADLP COc1cc2c(cc1OC)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001168001768 1383793167 /nfs/dbraw/zinc/79/31/67/1383793167.db2.gz HKYGFIIHEVLAET-DFNIBXOVSA-N 2 2 342.483 3.425 20 0 EGADLP C[C@H]1CC([NH2+]CCOc2cc[nH+]cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034995 1383801000 /nfs/dbraw/zinc/80/10/00/1383801000.db2.gz RZUUHQMEDAZSKI-ROUUACIJSA-N 3 2 339.483 3.492 20 0 EGADLP C[C@@H]1CC([NH2+]Cc2ccnn2CCF)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032470 1383801373 /nfs/dbraw/zinc/80/13/73/1383801373.db2.gz GPTBEBPMKJTBRG-IAGOWNOFSA-N 2 2 344.478 3.384 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137239 1383824818 /nfs/dbraw/zinc/82/48/18/1383824818.db2.gz NNMWQUHVFWREJB-QCZBUENISA-N 2 2 330.516 3.449 20 0 EGADLP C[C@H]1C[C@@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137239 1383824822 /nfs/dbraw/zinc/82/48/22/1383824822.db2.gz NNMWQUHVFWREJB-QCZBUENISA-N 2 2 330.516 3.449 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137239 1383824825 /nfs/dbraw/zinc/82/48/25/1383824825.db2.gz NNMWQUHVFWREJB-QCZBUENISA-N 2 2 330.516 3.449 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137239 1383824828 /nfs/dbraw/zinc/82/48/28/1383824828.db2.gz NNMWQUHVFWREJB-QCZBUENISA-N 2 2 330.516 3.449 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH+]1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001168252230 1383853361 /nfs/dbraw/zinc/85/33/61/1383853361.db2.gz OPUDDJQPVSNBDK-KRWDZBQOSA-N 2 2 340.442 3.252 20 0 EGADLP Fc1ccc2c(c1)CC[C@@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)C2 ZINC001168448971 1383909823 /nfs/dbraw/zinc/90/98/23/1383909823.db2.gz SABWIQAAUXMUEA-GOSISDBHSA-N 2 2 343.421 3.476 20 0 EGADLP Cc1cc2sc(NCC[NH+]3CCC([NH+](C)C)CC3)nc2c(C)c1 ZINC001306988921 1383930420 /nfs/dbraw/zinc/93/04/20/1383930420.db2.gz DTGHHAKCXUWILD-UHFFFAOYSA-N 2 2 332.517 3.351 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168741238 1383987001 /nfs/dbraw/zinc/98/70/01/1383987001.db2.gz XTHVBUDBMRJUSD-GOSISDBHSA-N 2 2 348.918 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168741238 1383987003 /nfs/dbraw/zinc/98/70/03/1383987003.db2.gz XTHVBUDBMRJUSD-GOSISDBHSA-N 2 2 348.918 3.382 20 0 EGADLP CC(C)[N@H+]([C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878258 1384044049 /nfs/dbraw/zinc/04/40/49/1384044049.db2.gz BJXZYHJOMUMSEB-NVXWUHKLSA-N 2 2 339.524 3.189 20 0 EGADLP CC(C)[N@@H+]([C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878258 1384044053 /nfs/dbraw/zinc/04/40/53/1384044053.db2.gz BJXZYHJOMUMSEB-NVXWUHKLSA-N 2 2 339.524 3.189 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)c1C ZINC001307902059 1384054495 /nfs/dbraw/zinc/05/44/95/1384054495.db2.gz PVOHOXWKCIELOW-IBGZPJMESA-N 2 2 339.483 3.066 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)c1C ZINC001307902059 1384054501 /nfs/dbraw/zinc/05/45/01/1384054501.db2.gz PVOHOXWKCIELOW-IBGZPJMESA-N 2 2 339.483 3.066 20 0 EGADLP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccn2cc[nH+]c2c1 ZINC001168995226 1384081566 /nfs/dbraw/zinc/08/15/66/1384081566.db2.gz VZLWCCFYLZXFBK-UHFFFAOYSA-N 2 2 325.803 3.218 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001169082214 1384103937 /nfs/dbraw/zinc/10/39/37/1384103937.db2.gz YHKFJUOSAONIIR-ZSOGYDGISA-N 2 2 332.341 3.439 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001169082214 1384103939 /nfs/dbraw/zinc/10/39/39/1384103939.db2.gz YHKFJUOSAONIIR-ZSOGYDGISA-N 2 2 332.341 3.439 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091180 1384105416 /nfs/dbraw/zinc/10/54/16/1384105416.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091180 1384105417 /nfs/dbraw/zinc/10/54/17/1384105417.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091180 1384105419 /nfs/dbraw/zinc/10/54/19/1384105419.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091180 1384105420 /nfs/dbraw/zinc/10/54/20/1384105420.db2.gz OXUBBIYHNBLJFJ-MLZLACJZSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122926 1384110532 /nfs/dbraw/zinc/11/05/32/1384110532.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122926 1384110533 /nfs/dbraw/zinc/11/05/33/1384110533.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122926 1384110535 /nfs/dbraw/zinc/11/05/35/1384110535.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122926 1384110536 /nfs/dbraw/zinc/11/05/36/1384110536.db2.gz GGOWZQSDIQEKJP-LELZANKISA-N 3 2 327.516 3.112 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncc1Br ZINC001169124691 1384110664 /nfs/dbraw/zinc/11/06/64/1384110664.db2.gz SFZSWKBLGJYUBG-FQUUOJAGSA-N 2 2 338.293 3.428 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1Br ZINC001169124691 1384110666 /nfs/dbraw/zinc/11/06/66/1384110666.db2.gz SFZSWKBLGJYUBG-FQUUOJAGSA-N 2 2 338.293 3.428 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169142321 1384113025 /nfs/dbraw/zinc/11/30/25/1384113025.db2.gz BPRKJJCCILYSCJ-REPLKXPHSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169142321 1384113026 /nfs/dbraw/zinc/11/30/26/1384113026.db2.gz BPRKJJCCILYSCJ-REPLKXPHSA-N 2 2 333.907 3.083 20 0 EGADLP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169153541 1384116326 /nfs/dbraw/zinc/11/63/26/1384116326.db2.gz KSIJTBILPHPWJA-OKYOBFRVSA-N 2 2 334.504 3.057 20 0 EGADLP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169153541 1384116329 /nfs/dbraw/zinc/11/63/29/1384116329.db2.gz KSIJTBILPHPWJA-OKYOBFRVSA-N 2 2 334.504 3.057 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cc(OC(F)(F)F)ccc2OC)CC1 ZINC001169230573 1384125433 /nfs/dbraw/zinc/12/54/33/1384125433.db2.gz GTSVWICEOJDNAV-UHFFFAOYSA-N 2 2 332.366 3.168 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](CN(C)C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001169242178 1384126607 /nfs/dbraw/zinc/12/66/07/1384126607.db2.gz YDHJLSYXAWZPLW-UQTNFYOXSA-N 2 2 333.564 3.207 20 0 EGADLP Cc1ccc(N(C2CC[NH2+]CC2)C2CC(C)(C)N(O)C(C)(C)C2)[nH+]c1 ZINC001170011264 1384217120 /nfs/dbraw/zinc/21/71/20/1384217120.db2.gz MIVMAGOJFITYBV-UHFFFAOYSA-N 2 2 346.519 3.359 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC001170022497 1384219724 /nfs/dbraw/zinc/21/97/24/1384219724.db2.gz AFULDJDHTIVIJM-UHFFFAOYSA-N 2 2 348.450 3.090 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170472927 1384327013 /nfs/dbraw/zinc/32/70/13/1384327013.db2.gz QXUBTMLUQAGREG-LXPRWKDFSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483496 1384327881 /nfs/dbraw/zinc/32/78/81/1384327881.db2.gz MAUUKZLLRPZAFD-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP Nc1[nH+]ccc(F)c1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170645186 1384355702 /nfs/dbraw/zinc/35/57/02/1384355702.db2.gz ARTNJSUJEZZOEU-UNGSAITNSA-N 2 2 340.446 3.435 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H]4[C@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752066 1384379080 /nfs/dbraw/zinc/37/90/80/1384379080.db2.gz UDBMTMTVYNPPOS-OVYGPGRDSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H]4[C@H](CC[NH+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752066 1384379084 /nfs/dbraw/zinc/37/90/84/1384379084.db2.gz UDBMTMTVYNPPOS-OVYGPGRDSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@@H]4[C@H](CC[N@@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752066 1384379088 /nfs/dbraw/zinc/37/90/88/1384379088.db2.gz UDBMTMTVYNPPOS-OVYGPGRDSA-N 2 2 331.529 3.474 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CC[C@@H]4[C@H](CC[N@H+]4Cc4nccs4)C3)C[C@@H]21 ZINC001170752066 1384379091 /nfs/dbraw/zinc/37/90/91/1384379091.db2.gz UDBMTMTVYNPPOS-OVYGPGRDSA-N 2 2 331.529 3.474 20 0 EGADLP CCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170786302 1384385356 /nfs/dbraw/zinc/38/53/56/1384385356.db2.gz RAPGMTJOLYGURM-HNNXBMFYSA-N 2 2 330.476 3.321 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852886 1384398812 /nfs/dbraw/zinc/39/88/12/1384398812.db2.gz ZDVDVADXDOBIFL-SJORKVTESA-N 2 2 337.305 3.379 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852886 1384398814 /nfs/dbraw/zinc/39/88/14/1384398814.db2.gz ZDVDVADXDOBIFL-SJORKVTESA-N 2 2 337.305 3.379 20 0 EGADLP COc1ccc2[nH+]ccc(-n3c4ccccc4c4c3C[C@H]([NH3+])CC4)c2n1 ZINC001171094151 1384444538 /nfs/dbraw/zinc/44/45/38/1384444538.db2.gz NHIXGTIADVJYOS-CYBMUJFWSA-N 2 2 344.418 3.398 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171527736 1384551828 /nfs/dbraw/zinc/55/18/28/1384551828.db2.gz DZVZEVUQEWKXFO-CYBMUJFWSA-N 2 2 331.341 3.399 20 0 EGADLP Cc1cccc2c1CC[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566299 1384565457 /nfs/dbraw/zinc/56/54/57/1384565457.db2.gz HWVHAUQMQPJCRE-RZUBCFFCSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566299 1384565462 /nfs/dbraw/zinc/56/54/62/1384565462.db2.gz HWVHAUQMQPJCRE-RZUBCFFCSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566299 1384565467 /nfs/dbraw/zinc/56/54/67/1384565467.db2.gz HWVHAUQMQPJCRE-RZUBCFFCSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566299 1384565469 /nfs/dbraw/zinc/56/54/69/1384565469.db2.gz HWVHAUQMQPJCRE-RZUBCFFCSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC001171570845 1384566834 /nfs/dbraw/zinc/56/68/34/1384566834.db2.gz PAFFVTJEFXRXLP-HXUWFJFHSA-N 3 2 331.548 3.058 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC001171570844 1384567454 /nfs/dbraw/zinc/56/74/54/1384567454.db2.gz PAFFVTJEFXRXLP-FQEVSTJZSA-N 3 2 331.548 3.058 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171597409 1384574874 /nfs/dbraw/zinc/57/48/74/1384574874.db2.gz YHVYBYWREIBMGT-JTDRTSHGSA-N 2 2 346.519 3.066 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171605744 1384577752 /nfs/dbraw/zinc/57/77/52/1384577752.db2.gz QLSFNDYCDNDMQN-ZWKOTPCHSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1(C)C ZINC001171641643 1384590102 /nfs/dbraw/zinc/59/01/02/1384590102.db2.gz RWPRMTFBCGIOLT-INIZCTEOSA-N 2 2 343.506 3.443 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171731395 1384617476 /nfs/dbraw/zinc/61/74/76/1384617476.db2.gz AINPHKQRZLKPOK-LELZANKISA-N 2 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171731395 1384617480 /nfs/dbraw/zinc/61/74/80/1384617480.db2.gz AINPHKQRZLKPOK-LELZANKISA-N 2 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171732435 1384618621 /nfs/dbraw/zinc/61/86/21/1384618621.db2.gz AINPHKQRZLKPOK-RKFFNLMFSA-N 2 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171732435 1384618622 /nfs/dbraw/zinc/61/86/22/1384618622.db2.gz AINPHKQRZLKPOK-RKFFNLMFSA-N 2 2 327.516 3.254 20 0 EGADLP CCOCCC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860402 1384663747 /nfs/dbraw/zinc/66/37/47/1384663747.db2.gz PGYFBZJFXPUOAT-INIZCTEOSA-N 2 2 349.519 3.312 20 0 EGADLP CC1(C)C[C@@H](N[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171969179 1384698077 /nfs/dbraw/zinc/69/80/77/1384698077.db2.gz UGHZLNZSAMUTIG-PMACEKPBSA-N 2 2 327.516 3.113 20 0 EGADLP CC1(C)C[C@@H](N[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171969179 1384698080 /nfs/dbraw/zinc/69/80/80/1384698080.db2.gz UGHZLNZSAMUTIG-PMACEKPBSA-N 2 2 327.516 3.113 20 0 EGADLP Cn1cc(C2([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)cn1 ZINC001171970836 1384699556 /nfs/dbraw/zinc/69/95/56/1384699556.db2.gz FETHIIAIORDGPE-IBGZPJMESA-N 2 2 338.499 3.442 20 0 EGADLP Cn1cc(C2([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)cn1 ZINC001171970836 1384699562 /nfs/dbraw/zinc/69/95/62/1384699562.db2.gz FETHIIAIORDGPE-IBGZPJMESA-N 2 2 338.499 3.442 20 0 EGADLP CC1(C)C[C@@H]([NH2+]Cc2ncccc2O)CC[N@@H+]1Cc1ccccc1 ZINC001171984616 1384703651 /nfs/dbraw/zinc/70/36/51/1384703651.db2.gz WMHHKZVVDDWJIH-KRWDZBQOSA-N 2 2 325.456 3.320 20 0 EGADLP CC1(C)C[C@@H]([NH2+]Cc2ncccc2O)CC[N@H+]1Cc1ccccc1 ZINC001171984616 1384703664 /nfs/dbraw/zinc/70/36/64/1384703664.db2.gz WMHHKZVVDDWJIH-KRWDZBQOSA-N 2 2 325.456 3.320 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172060910 1384713747 /nfs/dbraw/zinc/71/37/47/1384713747.db2.gz DLYSKDMMCNQGEJ-MZADTFQBSA-N 3 2 338.499 3.367 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060910 1384713756 /nfs/dbraw/zinc/71/37/56/1384713756.db2.gz DLYSKDMMCNQGEJ-MZADTFQBSA-N 3 2 338.499 3.367 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172754148 1384843778 /nfs/dbraw/zinc/84/37/78/1384843778.db2.gz XALXIMIPQRCPLG-HNNXBMFYSA-N 2 2 336.451 3.196 20 0 EGADLP CC[NH+](CC)C1CCC(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001173117766 1384918751 /nfs/dbraw/zinc/91/87/51/1384918751.db2.gz XEATYGZQAMOFJT-DAWZGUTISA-N 2 2 343.506 3.445 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173117766 1384918755 /nfs/dbraw/zinc/91/87/55/1384918755.db2.gz XEATYGZQAMOFJT-DAWZGUTISA-N 2 2 343.506 3.445 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N3CCCC3)C(F)(F)C2)CC1 ZINC001173117766 1384918757 /nfs/dbraw/zinc/91/87/57/1384918757.db2.gz XEATYGZQAMOFJT-DAWZGUTISA-N 2 2 343.506 3.445 20 0 EGADLP COc1cccc2c1C[C@H](n1c[nH+]cc1-c1ccc(C[NH3+])cc1)CO2 ZINC001173161272 1384927440 /nfs/dbraw/zinc/92/74/40/1384927440.db2.gz PSGGHKOWBJAJHB-INIZCTEOSA-N 2 2 335.407 3.194 20 0 EGADLP Fc1cc2c(cc1F)CC([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001173477046 1384977212 /nfs/dbraw/zinc/97/72/12/1384977212.db2.gz FVTGXXLXDSONOJ-UHFFFAOYSA-N 2 2 329.394 3.086 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC001173638278 1384994224 /nfs/dbraw/zinc/99/42/24/1384994224.db2.gz XTMSVHOQLGRGGY-ZWKOTPCHSA-N 2 2 345.487 3.010 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460974 1385299273 /nfs/dbraw/zinc/29/92/73/1385299273.db2.gz KECMXPSJTQGCGJ-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP Cc1cc(C)c(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c[nH+]1 ZINC001175820761 1385413520 /nfs/dbraw/zinc/41/35/20/1385413520.db2.gz XWCLEPFLLKKRRV-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP CCC[NH2+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001317722009 1385422388 /nfs/dbraw/zinc/42/23/88/1385422388.db2.gz LIQHQSSLIFTFIX-HXUWFJFHSA-N 2 2 348.450 3.343 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873540 1385427069 /nfs/dbraw/zinc/42/70/69/1385427069.db2.gz LILDBQBDGLMVBU-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP CC[C@H]([NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001175881858 1385428905 /nfs/dbraw/zinc/42/89/05/1385428905.db2.gz YQDZQXIRSBHHNX-AEFFLSMTSA-N 2 2 342.487 3.368 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001176350303 1385558640 /nfs/dbraw/zinc/55/86/40/1385558640.db2.gz AXMGBIZMEIWKKE-INIZCTEOSA-N 2 2 348.535 3.496 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1c[nH+]cn1C ZINC001176392332 1385574947 /nfs/dbraw/zinc/57/49/47/1385574947.db2.gz LFLLAJIDVNMYNZ-MRXNPFEDSA-N 2 2 348.535 3.054 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3ccc[nH+]c3N3CCCC3)c2)CC1 ZINC001176751135 1385682542 /nfs/dbraw/zinc/68/25/42/1385682542.db2.gz WRYARPNCLHKSNC-UHFFFAOYSA-N 2 2 337.471 3.177 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001176829291 1385714957 /nfs/dbraw/zinc/71/49/57/1385714957.db2.gz KNWSUPUAFDIDNE-CVEARBPZSA-N 2 2 346.450 3.048 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccccc1Cl ZINC001318497657 1385727135 /nfs/dbraw/zinc/72/71/35/1385727135.db2.gz MLVDRJAQPABGSO-UHFFFAOYSA-N 2 2 326.787 3.410 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC001177351724 1385925172 /nfs/dbraw/zinc/92/51/72/1385925172.db2.gz OGMZAGSJXBMQQE-GOSISDBHSA-N 2 2 346.450 3.050 20 0 EGADLP C[C@H](F)CC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823979 1386318032 /nfs/dbraw/zinc/31/80/32/1386318032.db2.gz YTDZWIXWNOIIIC-AWEZNQCLSA-N 2 2 334.439 3.191 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995756 1386370416 /nfs/dbraw/zinc/37/04/16/1386370416.db2.gz PTMSEPISASVIBY-ZOBUZTSGSA-N 2 2 342.487 3.438 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001179141674 1386409391 /nfs/dbraw/zinc/40/93/91/1386409391.db2.gz HKUPSUSVVXOUOE-RDJZCZTQSA-N 2 2 340.471 3.107 20 0 EGADLP CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179245307 1386430928 /nfs/dbraw/zinc/43/09/28/1386430928.db2.gz YLWXPEUMLQMIMZ-GJYPPUQNSA-N 2 2 340.471 3.111 20 0 EGADLP CC1CC(C[NH2+]CCCCCCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001179558256 1386514543 /nfs/dbraw/zinc/51/45/43/1386514543.db2.gz QXJTWPIYJSNDPM-OFLPRAFFSA-N 2 2 346.519 3.142 20 0 EGADLP CC[C@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001179689702 1386553975 /nfs/dbraw/zinc/55/39/75/1386553975.db2.gz JWHAZXSIJXNZEX-IBGZPJMESA-N 2 2 342.487 3.370 20 0 EGADLP C[C@H](CC(=O)NCCCCCC[NH2+]CC1CC(C)C1)n1cc[nH+]c1 ZINC001179705624 1386560616 /nfs/dbraw/zinc/56/06/16/1386560616.db2.gz KIMMWWMWQLQCOJ-LXPRWKDFSA-N 2 2 334.508 3.147 20 0 EGADLP C[C@H](CC(=O)NCCCCCC[NH2+]CCCCCF)n1cc[nH+]c1 ZINC001179706098 1386560774 /nfs/dbraw/zinc/56/07/74/1386560774.db2.gz WBRCLSLMHFKSFW-QGZVFWFLSA-N 2 2 340.487 3.240 20 0 EGADLP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001698658728 1406309331 /nfs/dbraw/zinc/30/93/31/1406309331.db2.gz DVHXDUREALMZAS-YLJYHZDGSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001179903023 1386623235 /nfs/dbraw/zinc/62/32/35/1386623235.db2.gz XPCNRDQVOUWSTL-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)OCc1ccccc1 ZINC001320621035 1386668349 /nfs/dbraw/zinc/66/83/49/1386668349.db2.gz VBZNBCZWRAXINF-AWEZNQCLSA-N 2 2 336.395 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180158339 1386717286 /nfs/dbraw/zinc/71/72/86/1386717286.db2.gz JOITVDYHGOYZLJ-UHFFFAOYSA-N 2 2 336.524 3.353 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001180179793 1386722685 /nfs/dbraw/zinc/72/26/85/1386722685.db2.gz YGPUGYRPKFUCAK-UHFFFAOYSA-N 2 2 346.519 3.119 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001180470728 1386807648 /nfs/dbraw/zinc/80/76/48/1386807648.db2.gz RFRSKDLGDRMXLU-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001321844095 1386995338 /nfs/dbraw/zinc/99/53/38/1386995338.db2.gz AOAWAKMGOLNZPR-LBPRGKRZSA-N 2 2 341.286 3.463 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC001321844095 1386995342 /nfs/dbraw/zinc/99/53/42/1386995342.db2.gz AOAWAKMGOLNZPR-LBPRGKRZSA-N 2 2 341.286 3.463 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168452 1387085228 /nfs/dbraw/zinc/08/52/28/1387085228.db2.gz JNEHWZQDQNJSJV-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168452 1387085232 /nfs/dbraw/zinc/08/52/32/1387085232.db2.gz JNEHWZQDQNJSJV-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168452 1387085237 /nfs/dbraw/zinc/08/52/37/1387085237.db2.gz JNEHWZQDQNJSJV-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168452 1387085239 /nfs/dbraw/zinc/08/52/39/1387085239.db2.gz JNEHWZQDQNJSJV-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP Cc1cccc2nc(NC3CC[NH+](C4CC[NH+](C)CC4)CC3)oc21 ZINC001330589792 1389463646 /nfs/dbraw/zinc/46/36/46/1389463646.db2.gz HXSRFKPQHODWPS-UHFFFAOYSA-N 2 2 328.460 3.107 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001332270472 1390071193 /nfs/dbraw/zinc/07/11/93/1390071193.db2.gz DKEMDCZCLNVQFI-NVXWUHKLSA-N 2 2 342.487 3.487 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC001332839451 1390198026 /nfs/dbraw/zinc/19/80/26/1390198026.db2.gz XTDGHGPAOYOHBA-SJLPKXTDSA-N 2 2 342.487 3.155 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001345942510 1390896063 /nfs/dbraw/zinc/89/60/63/1390896063.db2.gz BUKOJROZKJYPQC-JTQLQIEISA-N 2 2 336.329 3.060 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001345942510 1390896064 /nfs/dbraw/zinc/89/60/64/1390896064.db2.gz BUKOJROZKJYPQC-JTQLQIEISA-N 2 2 336.329 3.060 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001482154048 1394773717 /nfs/dbraw/zinc/77/37/17/1394773717.db2.gz HHSWSMCHJHUQMY-HZPDHXFCSA-N 2 2 342.487 3.179 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001483836662 1395104297 /nfs/dbraw/zinc/10/42/97/1395104297.db2.gz HYIPDICGUBWFNI-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001484766436 1395521812 /nfs/dbraw/zinc/52/18/12/1395521812.db2.gz RMHQEWLYYWTASW-FUHWJXTLSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001484766436 1395521816 /nfs/dbraw/zinc/52/18/16/1395521816.db2.gz RMHQEWLYYWTASW-FUHWJXTLSA-N 2 2 348.535 3.257 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001687481626 1396390031 /nfs/dbraw/zinc/39/00/31/1396390031.db2.gz OUMSPGQNTLNOEU-FQEVSTJZSA-N 2 2 348.450 3.472 20 0 EGADLP C[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001494195629 1396400237 /nfs/dbraw/zinc/40/02/37/1396400237.db2.gz ILJIULAQOAPONO-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001494195629 1396400238 /nfs/dbraw/zinc/40/02/38/1396400238.db2.gz ILJIULAQOAPONO-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001494195629 1396400241 /nfs/dbraw/zinc/40/02/41/1396400241.db2.gz ILJIULAQOAPONO-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001494195629 1396400242 /nfs/dbraw/zinc/40/02/42/1396400242.db2.gz ILJIULAQOAPONO-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001494875811 1396504138 /nfs/dbraw/zinc/50/41/38/1396504138.db2.gz KOTWHDNIKCYDSR-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001494875811 1396504145 /nfs/dbraw/zinc/50/41/45/1396504145.db2.gz KOTWHDNIKCYDSR-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699026007 1406862223 /nfs/dbraw/zinc/86/22/23/1406862223.db2.gz BODGYYFXKCZYQI-DLBZAZTESA-N 2 2 342.487 3.259 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001690590620 1404642583 /nfs/dbraw/zinc/64/25/83/1404642583.db2.gz CJESSOJXDVWRAI-HUUCEWRRSA-N 2 2 336.439 3.340 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001691825230 1405541512 /nfs/dbraw/zinc/54/15/12/1405541512.db2.gz BLRLOJPJEMFKAF-IYARVYRRSA-N 2 2 346.519 3.106 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001732568060 1428761731 /nfs/dbraw/zinc/76/17/31/1428761731.db2.gz BCYMBGBRCYHWAU-SUMWQHHRSA-N 2 2 348.878 3.097 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001700447732 1414026579 /nfs/dbraw/zinc/02/65/79/1414026579.db2.gz ZUIKDYLGFGSIHJ-INIZCTEOSA-N 2 2 342.487 3.096 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460857 1414058275 /nfs/dbraw/zinc/05/82/75/1414058275.db2.gz MFRCNRPQNCOAAM-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460857 1414058279 /nfs/dbraw/zinc/05/82/79/1414058279.db2.gz MFRCNRPQNCOAAM-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460857 1414058283 /nfs/dbraw/zinc/05/82/83/1414058283.db2.gz MFRCNRPQNCOAAM-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460857 1414058287 /nfs/dbraw/zinc/05/82/87/1414058287.db2.gz MFRCNRPQNCOAAM-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001700487172 1414135028 /nfs/dbraw/zinc/13/50/28/1414135028.db2.gz OMXDBOOHDGBWMD-ROUUACIJSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001700487172 1414135030 /nfs/dbraw/zinc/13/50/30/1414135030.db2.gz OMXDBOOHDGBWMD-ROUUACIJSA-N 2 2 342.487 3.169 20 0 EGADLP COC[C@H](C)[NH2+][C@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001700501531 1414149730 /nfs/dbraw/zinc/14/97/30/1414149730.db2.gz DVIVSQMQRGICNH-FUHWJXTLSA-N 2 2 349.519 3.118 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001732965150 1429089509 /nfs/dbraw/zinc/08/95/09/1429089509.db2.gz DCQLJDCNLCIOFV-PBHICJAKSA-N 2 2 348.878 3.172 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001713218201 1417798241 /nfs/dbraw/zinc/79/82/41/1417798241.db2.gz PRVSJFKYRAIJDK-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001713218201 1417798244 /nfs/dbraw/zinc/79/82/44/1417798244.db2.gz PRVSJFKYRAIJDK-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP Cc1ccc(CC[NH2+][C@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001713325800 1417950483 /nfs/dbraw/zinc/95/04/83/1417950483.db2.gz WCNLHLVMOJBVIT-QGZVFWFLSA-N 2 2 339.483 3.266 20 0 EGADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001713413973 1418037544 /nfs/dbraw/zinc/03/75/44/1418037544.db2.gz KZUIYHJFEFNXAA-CABCVRRESA-N 2 2 348.878 3.172 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CC3CC3)c3ccccc3)ccn12 ZINC001713702049 1418460266 /nfs/dbraw/zinc/46/02/66/1418460266.db2.gz GCUJDBVBBJBEPZ-LJQANCHMSA-N 2 2 348.450 3.113 20 0 EGADLP C[C@H]([NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1)c1ccccc1 ZINC001714139383 1418941918 /nfs/dbraw/zinc/94/19/18/1418941918.db2.gz PONHZAPNIHHHGU-KRWDZBQOSA-N 2 2 340.471 3.053 20 0 EGADLP C[C@@H]([NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC001714844830 1419557165 /nfs/dbraw/zinc/55/71/65/1419557165.db2.gz GUMCYTZWHGFWQH-VQIMIIECSA-N 2 2 348.450 3.161 20 0 EGADLP CCC[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001715204504 1419938485 /nfs/dbraw/zinc/93/84/85/1419938485.db2.gz LDBVEWLMBIFAIU-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@H](C[NH2+]Cc1sccc1Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716400556 1420634524 /nfs/dbraw/zinc/63/45/24/1420634524.db2.gz GFUVXZCHXJRBGN-SNVBAGLBSA-N 2 2 348.859 3.186 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508888 1420740442 /nfs/dbraw/zinc/74/04/42/1420740442.db2.gz SBTPQCCXJZZCRQ-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508888 1420740444 /nfs/dbraw/zinc/74/04/44/1420740444.db2.gz SBTPQCCXJZZCRQ-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP C[C@]1(C[NH2+]CC2CCCCC2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716881372 1421005474 /nfs/dbraw/zinc/00/54/74/1421005474.db2.gz HTOXRLIOZREKCR-HXUWFJFHSA-N 2 2 346.519 3.072 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311294 1421255171 /nfs/dbraw/zinc/25/51/71/1421255171.db2.gz AHIHKOGKCQXKSP-KRWDZBQOSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311294 1421255173 /nfs/dbraw/zinc/25/51/73/1421255173.db2.gz AHIHKOGKCQXKSP-KRWDZBQOSA-N 2 2 348.535 3.304 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332302 1421267387 /nfs/dbraw/zinc/26/73/87/1421267387.db2.gz SOXVAYDVWOWQQP-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332302 1421267393 /nfs/dbraw/zinc/26/73/93/1421267393.db2.gz SOXVAYDVWOWQQP-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332302 1421267398 /nfs/dbraw/zinc/26/73/98/1421267398.db2.gz SOXVAYDVWOWQQP-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332302 1421267400 /nfs/dbraw/zinc/26/74/00/1421267400.db2.gz SOXVAYDVWOWQQP-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC001717516815 1421453925 /nfs/dbraw/zinc/45/39/25/1421453925.db2.gz QOQHBEZLBQDQDQ-AEFFLSMTSA-N 2 2 342.487 3.176 20 0 EGADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCCC2CCCC2)C1 ZINC001733465804 1429699043 /nfs/dbraw/zinc/69/90/43/1429699043.db2.gz PJUVASBVHIIAON-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001733465804 1429699044 /nfs/dbraw/zinc/69/90/44/1429699044.db2.gz PJUVASBVHIIAON-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001731727734 1427802305 /nfs/dbraw/zinc/80/23/05/1427802305.db2.gz XIWLWAQQGDQHHR-HZPDHXFCSA-N 2 2 344.503 3.423 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCCCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001734018165 1437808237 /nfs/dbraw/zinc/80/82/37/1437808237.db2.gz LQFDYTNAECDMBF-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CN(CC(C)(C)C[NH2+]CC1CCCCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001734018165 1437808240 /nfs/dbraw/zinc/80/82/40/1437808240.db2.gz LQFDYTNAECDMBF-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001734332996 1438055763 /nfs/dbraw/zinc/05/57/63/1438055763.db2.gz CHDJJOUCBJFZEY-GFCCVEGCSA-N 2 2 331.382 3.009 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001734423078 1438090723 /nfs/dbraw/zinc/09/07/23/1438090723.db2.gz VXMIBVZBHSBMDM-KDOFPFPSSA-N 2 2 342.487 3.272 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001734476657 1438125515 /nfs/dbraw/zinc/12/55/15/1438125515.db2.gz HICKELGZFFUTBK-RBUKOAKNSA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)CCC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001752307953 1440168871 /nfs/dbraw/zinc/16/88/71/1440168871.db2.gz CFGQAGXYVGOZMH-KRWDZBQOSA-N 2 2 334.508 3.193 20 0 EGADLP CCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CC2CCC2)CC1 ZINC001752440501 1440181197 /nfs/dbraw/zinc/18/11/97/1440181197.db2.gz YBRFDYOLZVISGO-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP CCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCC2)CC1 ZINC001752440501 1440181198 /nfs/dbraw/zinc/18/11/98/1440181198.db2.gz YBRFDYOLZVISGO-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993644 1440260881 /nfs/dbraw/zinc/26/08/81/1440260881.db2.gz KSJOLEQMKOYMQF-DKFQHHCZSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001752993644 1440260882 /nfs/dbraw/zinc/26/08/82/1440260882.db2.gz KSJOLEQMKOYMQF-DKFQHHCZSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)CC1CCC(C(C)(C)C)CC1 ZINC001753059055 1440282842 /nfs/dbraw/zinc/28/28/42/1440282842.db2.gz RBFPDPSSUPFHRX-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)CC1CCC(C(C)(C)C)CC1 ZINC001753059055 1440282843 /nfs/dbraw/zinc/28/28/43/1440282843.db2.gz RBFPDPSSUPFHRX-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753325494 1440366371 /nfs/dbraw/zinc/36/63/71/1440366371.db2.gz BGSSJLBZSNHDLM-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753325494 1440366372 /nfs/dbraw/zinc/36/63/72/1440366372.db2.gz BGSSJLBZSNHDLM-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001753364875 1440384653 /nfs/dbraw/zinc/38/46/53/1440384653.db2.gz GEICHQLKIMGCOX-INIZCTEOSA-N 2 2 348.535 3.143 20 0 EGADLP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001753364875 1440384654 /nfs/dbraw/zinc/38/46/54/1440384654.db2.gz GEICHQLKIMGCOX-INIZCTEOSA-N 2 2 348.535 3.143 20 0 EGADLP CC(C)C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC001753743697 1440480138 /nfs/dbraw/zinc/48/01/38/1440480138.db2.gz SDXSBENOJHDXLC-SFHVURJKSA-N 2 2 348.535 3.220 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001753757401 1440483388 /nfs/dbraw/zinc/48/33/88/1440483388.db2.gz PXBJENVVVMYCKX-IAGOWNOFSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@@H](CC(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1)n1cc[nH+]c1 ZINC001753821461 1440496239 /nfs/dbraw/zinc/49/62/39/1440496239.db2.gz FAZXHIVZFMPCFI-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1)n1cc[nH+]c1 ZINC001753821461 1440496240 /nfs/dbraw/zinc/49/62/40/1440496240.db2.gz FAZXHIVZFMPCFI-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C=C/Cl)c(C)[nH+]1 ZINC001753890995 1440522058 /nfs/dbraw/zinc/52/20/58/1440522058.db2.gz GANSFNYISMIXCQ-IDSJHHPBSA-N 2 2 335.879 3.247 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001754277123 1440562402 /nfs/dbraw/zinc/56/24/02/1440562402.db2.gz UTMKYQVHRDESQB-IRXDYDNUSA-N 2 2 342.487 3.262 20 0 EGADLP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001754544979 1440626998 /nfs/dbraw/zinc/62/69/98/1440626998.db2.gz PYCSGQPSQSNYEK-AYHJJNSGSA-N 2 2 332.492 3.034 20 0 EGADLP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001754544979 1440626999 /nfs/dbraw/zinc/62/69/99/1440626999.db2.gz PYCSGQPSQSNYEK-AYHJJNSGSA-N 2 2 332.492 3.034 20 0 EGADLP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001754547133 1440628129 /nfs/dbraw/zinc/62/81/29/1440628129.db2.gz QDJDKIIFFDBJGH-AYHJJNSGSA-N 2 2 346.519 3.343 20 0 EGADLP CC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1CC ZINC001754785878 1440687752 /nfs/dbraw/zinc/68/77/52/1440687752.db2.gz RGOAOMWCUUIOFC-IBGZPJMESA-N 2 2 336.439 3.206 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001754798118 1440689909 /nfs/dbraw/zinc/68/99/09/1440689909.db2.gz WRNNGTWNXBJUKQ-AEFFLSMTSA-N 2 2 331.504 3.493 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754871098 1440705014 /nfs/dbraw/zinc/70/50/14/1440705014.db2.gz YQMAFWMVOQPKTK-YTQUADARSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754871098 1440705015 /nfs/dbraw/zinc/70/50/15/1440705015.db2.gz YQMAFWMVOQPKTK-YTQUADARSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754871098 1440705016 /nfs/dbraw/zinc/70/50/16/1440705016.db2.gz YQMAFWMVOQPKTK-YTQUADARSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754871098 1440705017 /nfs/dbraw/zinc/70/50/17/1440705017.db2.gz YQMAFWMVOQPKTK-YTQUADARSA-N 2 2 346.519 3.090 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001755025704 1440728684 /nfs/dbraw/zinc/72/86/84/1440728684.db2.gz ZORXTSWNWYKENI-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001755025704 1440728685 /nfs/dbraw/zinc/72/86/85/1440728685.db2.gz ZORXTSWNWYKENI-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001755025704 1440728686 /nfs/dbraw/zinc/72/86/86/1440728686.db2.gz ZORXTSWNWYKENI-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001755025704 1440728687 /nfs/dbraw/zinc/72/86/87/1440728687.db2.gz ZORXTSWNWYKENI-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165003 1440766677 /nfs/dbraw/zinc/76/66/77/1440766677.db2.gz CSLKWSXTUBMARS-FUHWJXTLSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165003 1440766678 /nfs/dbraw/zinc/76/66/78/1440766678.db2.gz CSLKWSXTUBMARS-FUHWJXTLSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[N@H+](C)CCC(C)(C)C)c[nH+]1 ZINC001755194690 1440776236 /nfs/dbraw/zinc/77/62/36/1440776236.db2.gz YDPLWFDGNFXLBH-KRWDZBQOSA-N 2 2 348.535 3.286 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[N@@H+](C)CCC(C)(C)C)c[nH+]1 ZINC001755194690 1440776237 /nfs/dbraw/zinc/77/62/37/1440776237.db2.gz YDPLWFDGNFXLBH-KRWDZBQOSA-N 2 2 348.535 3.286 20 0 EGADLP C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1C[NH+](CC2CCCCCC2)C1 ZINC001755387951 1440841068 /nfs/dbraw/zinc/84/10/68/1440841068.db2.gz USTZIVVUEJISQI-DLBZAZTESA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CCC[NH2+]CC1CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001755504358 1440862905 /nfs/dbraw/zinc/86/29/05/1440862905.db2.gz LNHWLVJEDODYFN-MRXNPFEDSA-N 2 2 342.487 3.403 20 0 EGADLP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755562541 1440874839 /nfs/dbraw/zinc/87/48/39/1440874839.db2.gz PYAKXBKCQIFYEH-SFHVURJKSA-N 2 2 340.471 3.049 20 0 EGADLP C[C@H]1[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001755669704 1440893835 /nfs/dbraw/zinc/89/38/35/1440893835.db2.gz MPNAQFILKJKLGZ-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001755827449 1440927768 /nfs/dbraw/zinc/92/77/68/1440927768.db2.gz LSVVYCGUBNQNJS-CVEARBPZSA-N 2 2 348.535 3.002 20 0 EGADLP Cc1c[nH+]c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc1C ZINC001164652804 719316140 /nfs/dbraw/zinc/31/61/40/719316140.db2.gz QLGUFUCKAJFLPY-UHFFFAOYSA-N 2 2 327.476 3.100 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000368133113 168315976 /nfs/dbraw/zinc/31/59/76/168315976.db2.gz ILMPFPPJBUJIBJ-GOSISDBHSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000368133113 168315979 /nfs/dbraw/zinc/31/59/79/168315979.db2.gz ILMPFPPJBUJIBJ-GOSISDBHSA-N 2 2 348.450 3.384 20 0 EGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000368453313 168357612 /nfs/dbraw/zinc/35/76/12/168357612.db2.gz FRWACOKGSPZLTE-HOCLYGCPSA-N 2 2 340.471 3.075 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000366084743 282248828 /nfs/dbraw/zinc/24/88/28/282248828.db2.gz IOCMDEYEJAOQDG-NLWGTHIKSA-N 2 2 326.488 3.339 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)oc21 ZINC000181782539 234322835 /nfs/dbraw/zinc/32/28/35/234322835.db2.gz QVDDRZGHAZVYDX-GJZGRUSLSA-N 2 2 332.444 3.060 20 0 EGADLP c1csc([C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)[NH+]2CCCC2)c1 ZINC000023257947 202101465 /nfs/dbraw/zinc/10/14/65/202101465.db2.gz MIYPTMJUVQQMCX-INIZCTEOSA-N 2 2 344.480 3.446 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000343895297 291189083 /nfs/dbraw/zinc/18/90/83/291189083.db2.gz VSYZNMRHLDSLSJ-OCCSQVGLSA-N 2 2 328.460 3.197 20 0 EGADLP c1ccc([C@H](C[NH2+]Cc2cccc3c2OCCO3)[NH+]2CCCC2)cc1 ZINC000077760866 202393537 /nfs/dbraw/zinc/39/35/37/202393537.db2.gz PCZHDZUNWUMTRM-IBGZPJMESA-N 2 2 338.451 3.385 20 0 EGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000264779941 201211842 /nfs/dbraw/zinc/21/18/42/201211842.db2.gz UCTMBXZIWPRLPT-INIZCTEOSA-N 2 2 329.488 3.111 20 0 EGADLP CCCCc1oc2ccccc2c1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000264779941 201211846 /nfs/dbraw/zinc/21/18/46/201211846.db2.gz UCTMBXZIWPRLPT-INIZCTEOSA-N 2 2 329.488 3.111 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000267537031 201223695 /nfs/dbraw/zinc/22/36/95/201223695.db2.gz WFQDAFQHDFMDFU-HOCLYGCPSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000267537031 201223697 /nfs/dbraw/zinc/22/36/97/201223697.db2.gz WFQDAFQHDFMDFU-HOCLYGCPSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272161155 201248884 /nfs/dbraw/zinc/24/88/84/201248884.db2.gz FSVQXXIFKQMEFU-ZBFHGGJFSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272161155 201248887 /nfs/dbraw/zinc/24/88/87/201248887.db2.gz FSVQXXIFKQMEFU-ZBFHGGJFSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668543 201252149 /nfs/dbraw/zinc/25/21/49/201252149.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272668543 201252152 /nfs/dbraw/zinc/25/21/52/201252152.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668543 201252155 /nfs/dbraw/zinc/25/21/55/201252155.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668543 201252156 /nfs/dbraw/zinc/25/21/56/201252156.db2.gz OVGFCDFZZOJCOS-MJUUVYJYSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(Cl)n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272556628 201252356 /nfs/dbraw/zinc/25/23/56/201252356.db2.gz TXLTWHASRGDUGO-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(Cl)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272556628 201252360 /nfs/dbraw/zinc/25/23/60/201252360.db2.gz TXLTWHASRGDUGO-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274376721 201268010 /nfs/dbraw/zinc/26/80/10/201268010.db2.gz HZAWFTCFUVQAHQ-HXUWFJFHSA-N 2 2 339.483 3.032 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274376721 201268012 /nfs/dbraw/zinc/26/80/12/201268012.db2.gz HZAWFTCFUVQAHQ-HXUWFJFHSA-N 2 2 339.483 3.032 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274376720 201268131 /nfs/dbraw/zinc/26/81/31/201268131.db2.gz HZAWFTCFUVQAHQ-FQEVSTJZSA-N 2 2 339.483 3.032 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274376720 201268135 /nfs/dbraw/zinc/26/81/35/201268135.db2.gz HZAWFTCFUVQAHQ-FQEVSTJZSA-N 2 2 339.483 3.032 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000287575882 201334537 /nfs/dbraw/zinc/33/45/37/201334537.db2.gz HASKZDNYFRGIIV-ULQDDVLXSA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000287575882 201334541 /nfs/dbraw/zinc/33/45/41/201334541.db2.gz HASKZDNYFRGIIV-ULQDDVLXSA-N 2 2 342.405 3.351 20 0 EGADLP Oc1cccc2c1CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000191638473 239228134 /nfs/dbraw/zinc/22/81/34/239228134.db2.gz PKEIXCCTFNAILZ-HXUWFJFHSA-N 2 2 337.467 3.419 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072305192 203198841 /nfs/dbraw/zinc/19/88/41/203198841.db2.gz QOVGPMHDQOTELA-IAGOWNOFSA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072305192 203198844 /nfs/dbraw/zinc/19/88/44/203198844.db2.gz QOVGPMHDQOTELA-IAGOWNOFSA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719219 203243948 /nfs/dbraw/zinc/24/39/48/203243948.db2.gz ZIXXPANXIJUBEW-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719219 203243952 /nfs/dbraw/zinc/24/39/52/203243952.db2.gz ZIXXPANXIJUBEW-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857812 203248764 /nfs/dbraw/zinc/24/87/64/203248764.db2.gz ZMZAMOOXTPLLMF-QWFCFKBJSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857812 203248767 /nfs/dbraw/zinc/24/87/67/203248767.db2.gz ZMZAMOOXTPLLMF-QWFCFKBJSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000072857812 203248770 /nfs/dbraw/zinc/24/87/70/203248770.db2.gz ZMZAMOOXTPLLMF-QWFCFKBJSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000072857812 203248773 /nfs/dbraw/zinc/24/87/73/203248773.db2.gz ZMZAMOOXTPLLMF-QWFCFKBJSA-N 2 2 345.531 3.306 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857849 203249201 /nfs/dbraw/zinc/24/92/01/203249201.db2.gz FRKFBBDIBNSMBH-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857849 203249204 /nfs/dbraw/zinc/24/92/04/203249204.db2.gz FRKFBBDIBNSMBH-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857849 203249206 /nfs/dbraw/zinc/24/92/06/203249206.db2.gz FRKFBBDIBNSMBH-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000072857849 203249207 /nfs/dbraw/zinc/24/92/07/203249207.db2.gz FRKFBBDIBNSMBH-IRXDYDNUSA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000076001859 203331255 /nfs/dbraw/zinc/33/12/55/203331255.db2.gz HHQLDFBJQMKKLW-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000076001859 203331259 /nfs/dbraw/zinc/33/12/59/203331259.db2.gz HHQLDFBJQMKKLW-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP c1cc2c(nc[nH+]c2N2CCC[N@@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000077323270 203380408 /nfs/dbraw/zinc/38/04/08/203380408.db2.gz QMPCGZQOVDIXIJ-UHFFFAOYSA-N 2 2 335.455 3.103 20 0 EGADLP c1cc2c(nc[nH+]c2N2CCC[N@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000077323270 203380411 /nfs/dbraw/zinc/38/04/11/203380411.db2.gz QMPCGZQOVDIXIJ-UHFFFAOYSA-N 2 2 335.455 3.103 20 0 EGADLP CC[NH+]1CCC(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112211834 204386896 /nfs/dbraw/zinc/38/68/96/204386896.db2.gz ILUOEOKAIKEXLT-UHFFFAOYSA-N 2 2 340.427 3.480 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CCCO2 ZINC000130558822 205244719 /nfs/dbraw/zinc/24/47/19/205244719.db2.gz QJPVSIRTLICKTB-SFHVURJKSA-N 2 2 337.423 3.389 20 0 EGADLP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CCSCC1 ZINC000131086258 205273284 /nfs/dbraw/zinc/27/32/84/205273284.db2.gz NXYSEBXACRCDLV-MRXNPFEDSA-N 2 2 347.528 3.048 20 0 EGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCCO2 ZINC000130591386 205246419 /nfs/dbraw/zinc/24/64/19/205246419.db2.gz SWKXBXASLWBCOV-QGZVFWFLSA-N 2 2 337.423 3.389 20 0 EGADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCCO2 ZINC000130591175 205246691 /nfs/dbraw/zinc/24/66/91/205246691.db2.gz SWKXBXASLWBCOV-KRWDZBQOSA-N 2 2 337.423 3.389 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000131614414 205297380 /nfs/dbraw/zinc/29/73/80/205297380.db2.gz DZOQZOUOGXQWAD-LLVKDONJSA-N 2 2 327.350 3.230 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000131614414 205297384 /nfs/dbraw/zinc/29/73/84/205297384.db2.gz DZOQZOUOGXQWAD-LLVKDONJSA-N 2 2 327.350 3.230 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000264125221 246086963 /nfs/dbraw/zinc/08/69/63/246086963.db2.gz CLCFBRKCTRPZEA-GOSISDBHSA-N 2 2 338.455 3.025 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000156252790 206065683 /nfs/dbraw/zinc/06/56/83/206065683.db2.gz BHGDRHOGTLGWHV-MYYSRTQBSA-N 2 2 343.496 3.139 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000156545418 206084152 /nfs/dbraw/zinc/08/41/52/206084152.db2.gz XOJOGNPVSKYQIA-MRXNPFEDSA-N 2 2 349.906 3.019 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000156545418 206084155 /nfs/dbraw/zinc/08/41/55/206084155.db2.gz XOJOGNPVSKYQIA-MRXNPFEDSA-N 2 2 349.906 3.019 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157484987 206137862 /nfs/dbraw/zinc/13/78/62/206137862.db2.gz PHEIFODCYVPLOG-LJQANCHMSA-N 2 2 329.488 3.192 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157484987 206137868 /nfs/dbraw/zinc/13/78/68/206137868.db2.gz PHEIFODCYVPLOG-LJQANCHMSA-N 2 2 329.488 3.192 20 0 EGADLP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCc3[nH+]ccn3C)c12 ZINC000264313767 246336487 /nfs/dbraw/zinc/33/64/87/246336487.db2.gz ODUYZJVCKADEDH-UHFFFAOYSA-N 2 2 336.399 3.035 20 0 EGADLP CC[N@H+](C[C@@H](O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266529513 248346551 /nfs/dbraw/zinc/34/65/51/248346551.db2.gz FPDGOLIQJBRILN-HXUWFJFHSA-N 2 2 339.483 3.354 20 0 EGADLP CC[N@@H+](C[C@@H](O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266529513 248346556 /nfs/dbraw/zinc/34/65/56/248346556.db2.gz FPDGOLIQJBRILN-HXUWFJFHSA-N 2 2 339.483 3.354 20 0 EGADLP C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539888 169038649 /nfs/dbraw/zinc/03/86/49/169038649.db2.gz GXOGWBPIETZAEP-CVEARBPZSA-N 2 2 337.533 3.140 20 0 EGADLP C[C@@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539888 169038650 /nfs/dbraw/zinc/03/86/50/169038650.db2.gz GXOGWBPIETZAEP-CVEARBPZSA-N 2 2 337.533 3.140 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488462 169130044 /nfs/dbraw/zinc/13/00/44/169130044.db2.gz AUDMKGARDZEDSQ-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488462 169130045 /nfs/dbraw/zinc/13/00/45/169130045.db2.gz AUDMKGARDZEDSQ-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488462 169130048 /nfs/dbraw/zinc/13/00/48/169130048.db2.gz AUDMKGARDZEDSQ-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488462 169130049 /nfs/dbraw/zinc/13/00/49/169130049.db2.gz AUDMKGARDZEDSQ-GDBMZVCRSA-N 2 2 328.378 3.154 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427048 251049062 /nfs/dbraw/zinc/04/90/62/251049062.db2.gz LSUUCZACIASCLY-SWLSCSKDSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427048 251049066 /nfs/dbraw/zinc/04/90/66/251049066.db2.gz LSUUCZACIASCLY-SWLSCSKDSA-N 2 2 339.361 3.342 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469509 251087574 /nfs/dbraw/zinc/08/75/74/251087574.db2.gz XNLXURQISYWCKP-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469509 251087577 /nfs/dbraw/zinc/08/75/77/251087577.db2.gz XNLXURQISYWCKP-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000176280086 207211833 /nfs/dbraw/zinc/21/18/33/207211833.db2.gz DJNOBIQTULCSAX-ZWKOTPCHSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000176280086 207211837 /nfs/dbraw/zinc/21/18/37/207211837.db2.gz DJNOBIQTULCSAX-ZWKOTPCHSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000176280086 207211840 /nfs/dbraw/zinc/21/18/40/207211840.db2.gz DJNOBIQTULCSAX-ZWKOTPCHSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000176280086 207211844 /nfs/dbraw/zinc/21/18/44/207211844.db2.gz DJNOBIQTULCSAX-ZWKOTPCHSA-N 2 2 331.504 3.092 20 0 EGADLP Cc1cccc(C(=O)N2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000268640835 252092455 /nfs/dbraw/zinc/09/24/55/252092455.db2.gz MSGCHOASNDUXBE-HXUWFJFHSA-N 2 2 343.515 3.017 20 0 EGADLP Cc1cccc(C(=O)N2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000268640835 252092459 /nfs/dbraw/zinc/09/24/59/252092459.db2.gz MSGCHOASNDUXBE-HXUWFJFHSA-N 2 2 343.515 3.017 20 0 EGADLP Cc1cccc(C(=O)N2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)c1 ZINC000268640835 252092463 /nfs/dbraw/zinc/09/24/63/252092463.db2.gz MSGCHOASNDUXBE-HXUWFJFHSA-N 2 2 343.515 3.017 20 0 EGADLP Cc1cccc(C(=O)N2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)c1 ZINC000268640835 252092466 /nfs/dbraw/zinc/09/24/66/252092466.db2.gz MSGCHOASNDUXBE-HXUWFJFHSA-N 2 2 343.515 3.017 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758686 252208616 /nfs/dbraw/zinc/20/86/16/252208616.db2.gz GDXFICYZZYIBGF-NJSLBKSFSA-N 2 2 342.487 3.104 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268758686 252208621 /nfs/dbraw/zinc/20/86/21/252208621.db2.gz GDXFICYZZYIBGF-NJSLBKSFSA-N 2 2 342.487 3.104 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000268787857 252238382 /nfs/dbraw/zinc/23/83/82/252238382.db2.gz WOEOYOHIMAGCSY-MAUKXSAKSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000268787857 252238386 /nfs/dbraw/zinc/23/83/86/252238386.db2.gz WOEOYOHIMAGCSY-MAUKXSAKSA-N 2 2 330.497 3.126 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361292104 292007922 /nfs/dbraw/zinc/00/79/22/292007922.db2.gz XXPPJGZFRZOERJ-ICSRJNTNSA-N 2 2 346.515 3.200 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000677803943 549333743 /nfs/dbraw/zinc/33/37/43/549333743.db2.gz CBJJYZJESZWFME-XUVXKRRUSA-N 2 2 327.516 3.256 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000677803943 549333746 /nfs/dbraw/zinc/33/37/46/549333746.db2.gz CBJJYZJESZWFME-XUVXKRRUSA-N 2 2 327.516 3.256 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338060244 141085390 /nfs/dbraw/zinc/08/53/90/141085390.db2.gz OITWGXJDGOESDF-MGPQQGTHSA-N 2 2 330.407 3.211 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)c[nH+]c12 ZINC000339500507 141124066 /nfs/dbraw/zinc/12/40/66/141124066.db2.gz ACWTUEOAAOVCSG-QKFKETGDSA-N 2 2 327.453 3.231 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(C)cc1 ZINC000342794194 141149153 /nfs/dbraw/zinc/14/91/53/141149153.db2.gz KFHDWKFHBUCQMF-LJQANCHMSA-N 2 2 332.488 3.453 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000342794246 141149163 /nfs/dbraw/zinc/14/91/63/141149163.db2.gz KTAISZXYAYJIFP-LJQANCHMSA-N 2 2 344.499 3.416 20 0 EGADLP [NH3+][C@H]1CCC[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000346268237 141188670 /nfs/dbraw/zinc/18/86/70/141188670.db2.gz CFUWCDYNHHGONP-HOCLYGCPSA-N 2 2 336.439 3.058 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]12 ZINC000346275333 141189695 /nfs/dbraw/zinc/18/96/95/141189695.db2.gz JQKJRHJCZZNKIM-LTFXXXRZSA-N 2 2 346.519 3.067 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]12 ZINC000346275333 141189697 /nfs/dbraw/zinc/18/96/97/141189697.db2.gz JQKJRHJCZZNKIM-LTFXXXRZSA-N 2 2 346.519 3.067 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]12 ZINC000346275335 141190150 /nfs/dbraw/zinc/19/01/50/141190150.db2.gz JQKJRHJCZZNKIM-NTZUZEMLSA-N 2 2 346.519 3.067 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]12 ZINC000346275335 141190154 /nfs/dbraw/zinc/19/01/54/141190154.db2.gz JQKJRHJCZZNKIM-NTZUZEMLSA-N 2 2 346.519 3.067 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000348174618 141245009 /nfs/dbraw/zinc/24/50/09/141245009.db2.gz WLWODNIAEXSYPI-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000348174618 141245011 /nfs/dbraw/zinc/24/50/11/141245011.db2.gz WLWODNIAEXSYPI-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCC(C)C ZINC000352930495 141270970 /nfs/dbraw/zinc/27/09/70/141270970.db2.gz LDFNOQMUKPEHIQ-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OCC(C)C ZINC000352930495 141270971 /nfs/dbraw/zinc/27/09/71/141270971.db2.gz LDFNOQMUKPEHIQ-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OCC(C)C ZINC000352930495 141270974 /nfs/dbraw/zinc/27/09/74/141270974.db2.gz LDFNOQMUKPEHIQ-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OCC(C)C ZINC000352930495 141270976 /nfs/dbraw/zinc/27/09/76/141270976.db2.gz LDFNOQMUKPEHIQ-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933673 141271377 /nfs/dbraw/zinc/27/13/77/141271377.db2.gz SNILNPKSUUABKR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933673 141271378 /nfs/dbraw/zinc/27/13/78/141271378.db2.gz SNILNPKSUUABKR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933673 141271379 /nfs/dbraw/zinc/27/13/79/141271379.db2.gz SNILNPKSUUABKR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@@H]2C1 ZINC000352933673 141271380 /nfs/dbraw/zinc/27/13/80/141271380.db2.gz SNILNPKSUUABKR-SUMWQHHRSA-N 2 2 330.863 3.256 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(CC(=O)N3CCCC3)CC2)c[nH+]1 ZINC000353451601 141298570 /nfs/dbraw/zinc/29/85/70/141298570.db2.gz SYHIRECUHSCXMU-UHFFFAOYSA-N 2 2 329.488 3.047 20 0 EGADLP OC1(Cc2cccc(F)c2)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000186589589 144138232 /nfs/dbraw/zinc/13/82/32/144138232.db2.gz NCGFGIOUIOVGBF-UHFFFAOYSA-N 2 2 339.414 3.043 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344621572 144200698 /nfs/dbraw/zinc/20/06/98/144200698.db2.gz GHEBXGMYPWVGOF-CXAGYDPISA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344621572 144200700 /nfs/dbraw/zinc/20/07/00/144200700.db2.gz GHEBXGMYPWVGOF-CXAGYDPISA-N 2 2 332.879 3.406 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403303 144264213 /nfs/dbraw/zinc/26/42/13/144264213.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 3 2 329.532 3.315 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403303 144264214 /nfs/dbraw/zinc/26/42/14/144264214.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403303 144264215 /nfs/dbraw/zinc/26/42/15/144264215.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403303 144264216 /nfs/dbraw/zinc/26/42/16/144264216.db2.gz CQCRMFWRNYKIOT-NHCUHLMSSA-N 3 2 329.532 3.315 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351474644 144266314 /nfs/dbraw/zinc/26/63/14/144266314.db2.gz GPZAPIIJANGZEJ-FZMZJTMJSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351474644 144266315 /nfs/dbraw/zinc/26/63/15/144266315.db2.gz GPZAPIIJANGZEJ-FZMZJTMJSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351474644 144266316 /nfs/dbraw/zinc/26/63/16/144266316.db2.gz GPZAPIIJANGZEJ-FZMZJTMJSA-N 2 2 331.287 3.441 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351474644 144266317 /nfs/dbraw/zinc/26/63/17/144266317.db2.gz GPZAPIIJANGZEJ-FZMZJTMJSA-N 2 2 331.287 3.441 20 0 EGADLP c1cn(Cc2ccc(NCc3c[nH]nc3-c3ccccc3)[nH+]c2)c[nH+]1 ZINC000351550869 144278169 /nfs/dbraw/zinc/27/81/69/144278169.db2.gz PUXDQSVZWOOGNI-UHFFFAOYSA-N 2 2 330.395 3.329 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878644 144319872 /nfs/dbraw/zinc/31/98/72/144319872.db2.gz FJEYBKVQUZMDRK-RTWAWAEBSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000351878644 144319874 /nfs/dbraw/zinc/31/98/74/144319874.db2.gz FJEYBKVQUZMDRK-RTWAWAEBSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000351878644 144319876 /nfs/dbraw/zinc/31/98/76/144319876.db2.gz FJEYBKVQUZMDRK-RTWAWAEBSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000351878644 144319877 /nfs/dbraw/zinc/31/98/77/144319877.db2.gz FJEYBKVQUZMDRK-RTWAWAEBSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361731977 144356850 /nfs/dbraw/zinc/35/68/50/144356850.db2.gz INUCNTKVEHTBOX-SFHVURJKSA-N 2 2 339.483 3.412 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1C ZINC000341112657 155166151 /nfs/dbraw/zinc/16/61/51/155166151.db2.gz RJKWJCAMOQJCJA-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1C ZINC000341112657 155166153 /nfs/dbraw/zinc/16/61/53/155166153.db2.gz RJKWJCAMOQJCJA-MRXNPFEDSA-N 2 2 326.488 3.393 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)CC2(C)COC2)cc1 ZINC000341134756 155181777 /nfs/dbraw/zinc/18/17/77/155181777.db2.gz JQSDNEQOXKTNCS-UHFFFAOYSA-N 2 2 343.471 3.211 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CC2(C)COC2)cc1 ZINC000341134756 155181779 /nfs/dbraw/zinc/18/17/79/155181779.db2.gz JQSDNEQOXKTNCS-UHFFFAOYSA-N 2 2 343.471 3.211 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341336444 155238475 /nfs/dbraw/zinc/23/84/75/155238475.db2.gz IDGGGMQGKIWLBP-RXVVDRJESA-N 2 2 335.451 3.053 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341336444 155238479 /nfs/dbraw/zinc/23/84/79/155238479.db2.gz IDGGGMQGKIWLBP-RXVVDRJESA-N 2 2 335.451 3.053 20 0 EGADLP Cc1ccc(O[C@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341351341 155249385 /nfs/dbraw/zinc/24/93/85/155249385.db2.gz JRXOHGOPBSGYEQ-GOSISDBHSA-N 2 2 339.483 3.412 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]CC2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000341384634 155262318 /nfs/dbraw/zinc/26/23/18/155262318.db2.gz XFICHNNRVVESSN-WXLSXGNJSA-N 2 2 336.442 3.444 20 0 EGADLP C[C@@H](COc1cccc(F)c1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341461031 155305055 /nfs/dbraw/zinc/30/50/55/155305055.db2.gz PAOIPIGHNLHAMM-INIZCTEOSA-N 2 2 343.446 3.242 20 0 EGADLP CN(CC[NH+]1CCCC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000118823641 152156561 /nfs/dbraw/zinc/15/65/61/152156561.db2.gz FOTLQSAOPPIYPX-UHFFFAOYSA-N 2 2 340.427 3.433 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000119311389 152192765 /nfs/dbraw/zinc/19/27/65/152192765.db2.gz ZYONMMZJNJBUCX-UHFFFAOYSA-N 2 2 326.444 3.422 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000119956176 152240581 /nfs/dbraw/zinc/24/05/81/152240581.db2.gz XSKAVRUVGBPRIK-JTDSTZFVSA-N 2 2 334.529 3.106 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000119956176 152240582 /nfs/dbraw/zinc/24/05/82/152240582.db2.gz XSKAVRUVGBPRIK-JTDSTZFVSA-N 2 2 334.529 3.106 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc2c(c1)OCCO2 ZINC000162879425 152791388 /nfs/dbraw/zinc/79/13/88/152791388.db2.gz RVOGBKAYAZAGAE-HNNXBMFYSA-N 2 2 327.428 3.396 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000191603511 153210098 /nfs/dbraw/zinc/21/00/98/153210098.db2.gz XMLBBGWYDDBPCG-PXNSSMCTSA-N 2 2 338.499 3.148 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000191603511 153210103 /nfs/dbraw/zinc/21/01/03/153210103.db2.gz XMLBBGWYDDBPCG-PXNSSMCTSA-N 2 2 338.499 3.148 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357898 153249988 /nfs/dbraw/zinc/24/99/88/153249988.db2.gz BYMIBCPPNXVNCN-OAQYLSRUSA-N 2 2 340.467 3.076 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192357898 153249993 /nfs/dbraw/zinc/24/99/93/153249993.db2.gz BYMIBCPPNXVNCN-OAQYLSRUSA-N 2 2 340.467 3.076 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)c(Cl)s3)C[C@@H]12 ZINC000261545140 153677914 /nfs/dbraw/zinc/67/79/14/153677914.db2.gz FQHISRPJDAATAC-JVUFJMBOSA-N 2 2 335.698 3.333 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)c(Cl)s3)C[C@@H]12 ZINC000261545140 153677918 /nfs/dbraw/zinc/67/79/18/153677918.db2.gz FQHISRPJDAATAC-JVUFJMBOSA-N 2 2 335.698 3.333 20 0 EGADLP [NH3+]CC[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1 ZINC000305595434 154098842 /nfs/dbraw/zinc/09/88/42/154098842.db2.gz UAFCAGSVERQEFW-UHFFFAOYSA-N 2 2 342.468 3.192 20 0 EGADLP [NH3+]CC[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1 ZINC000305595434 154098846 /nfs/dbraw/zinc/09/88/46/154098846.db2.gz UAFCAGSVERQEFW-UHFFFAOYSA-N 2 2 342.468 3.192 20 0 EGADLP Cc1nc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000310250962 154142731 /nfs/dbraw/zinc/14/27/31/154142731.db2.gz KKCRSRXTLIQTQG-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000310250962 154142733 /nfs/dbraw/zinc/14/27/33/154142733.db2.gz KKCRSRXTLIQTQG-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000310250962 154142734 /nfs/dbraw/zinc/14/27/34/154142734.db2.gz KKCRSRXTLIQTQG-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000310250962 154142737 /nfs/dbraw/zinc/14/27/37/154142737.db2.gz KKCRSRXTLIQTQG-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310964972 154145404 /nfs/dbraw/zinc/14/54/04/154145404.db2.gz OLXREMGXZXLJAS-CRAIPNDOSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310964972 154145406 /nfs/dbraw/zinc/14/54/06/154145406.db2.gz OLXREMGXZXLJAS-CRAIPNDOSA-N 2 2 342.439 3.066 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1 ZINC000336726109 154212664 /nfs/dbraw/zinc/21/26/64/154212664.db2.gz WDUVMNGKMHDNFQ-UHFFFAOYSA-N 2 2 349.837 3.269 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1 ZINC000336726109 154212667 /nfs/dbraw/zinc/21/26/67/154212667.db2.gz WDUVMNGKMHDNFQ-UHFFFAOYSA-N 2 2 349.837 3.269 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCSC3CCCCC3)CC2)c1 ZINC000337338153 154292189 /nfs/dbraw/zinc/29/21/89/154292189.db2.gz PNBFRHPLPHEEQY-UHFFFAOYSA-N 2 2 335.517 3.278 20 0 EGADLP FC(F)O[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000337544961 154406432 /nfs/dbraw/zinc/40/64/32/154406432.db2.gz KYIUOQAOFXFWJA-CABCVRRESA-N 2 2 325.403 3.190 20 0 EGADLP CC(C)n1cc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000346950674 156211196 /nfs/dbraw/zinc/21/11/96/156211196.db2.gz TXCLDYVIDWJKDL-MAUKXSAKSA-N 2 2 342.491 3.172 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017847 156251119 /nfs/dbraw/zinc/25/11/19/156251119.db2.gz KOZKBPFBQDHBAY-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017847 156251122 /nfs/dbraw/zinc/25/11/22/156251122.db2.gz KOZKBPFBQDHBAY-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000368585428 157228192 /nfs/dbraw/zinc/22/81/92/157228192.db2.gz QWDJBDOMPUGUAV-VLIAUNLRSA-N 2 2 341.430 3.297 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368684670 157263659 /nfs/dbraw/zinc/26/36/59/157263659.db2.gz WMFMEMGOJLQWKI-GOSISDBHSA-N 2 2 341.846 3.478 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(Cl)nc21 ZINC000368791963 157292096 /nfs/dbraw/zinc/29/20/96/157292096.db2.gz WGSITRNJEWCEOM-JKSUJKDBSA-N 2 2 347.894 3.382 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c(Cl)nc21 ZINC000368791963 157292098 /nfs/dbraw/zinc/29/20/98/157292098.db2.gz WGSITRNJEWCEOM-JKSUJKDBSA-N 2 2 347.894 3.382 20 0 EGADLP C[C@H](C[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1)c1cccc(Cl)c1 ZINC000372459416 157337176 /nfs/dbraw/zinc/33/71/76/157337176.db2.gz DCIPJTPSBFQKBK-MRXNPFEDSA-N 2 2 346.906 3.385 20 0 EGADLP C[C@H](C[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1)c1cccc(Cl)c1 ZINC000372459416 157337179 /nfs/dbraw/zinc/33/71/79/157337179.db2.gz DCIPJTPSBFQKBK-MRXNPFEDSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000109794105 162111187 /nfs/dbraw/zinc/11/11/87/162111187.db2.gz AXPQLSZOHWCYRQ-UHFFFAOYSA-N 2 2 346.862 3.429 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)cs2)c1 ZINC000113513792 162212448 /nfs/dbraw/zinc/21/24/48/162212448.db2.gz KNZVZOYUOWGBMC-AWEZNQCLSA-N 2 2 331.485 3.202 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cs2)c1 ZINC000113513792 162212453 /nfs/dbraw/zinc/21/24/53/162212453.db2.gz KNZVZOYUOWGBMC-AWEZNQCLSA-N 2 2 331.485 3.202 20 0 EGADLP C[N@H+](CCOCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481247 162234460 /nfs/dbraw/zinc/23/44/60/162234460.db2.gz HHIXFRWDGQAMCS-UHFFFAOYSA-N 2 2 330.394 3.162 20 0 EGADLP C[N@@H+](CCOCC(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481247 162234463 /nfs/dbraw/zinc/23/44/63/162234463.db2.gz HHIXFRWDGQAMCS-UHFFFAOYSA-N 2 2 330.394 3.162 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000248848081 163039045 /nfs/dbraw/zinc/03/90/45/163039045.db2.gz INMMFLMSMMORQH-FXAWDEMLSA-N 2 2 344.499 3.030 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC2(CC1)OCCO2 ZINC000248848081 163039049 /nfs/dbraw/zinc/03/90/49/163039049.db2.gz INMMFLMSMMORQH-FXAWDEMLSA-N 2 2 344.499 3.030 20 0 EGADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248878593 163041422 /nfs/dbraw/zinc/04/14/22/163041422.db2.gz ORDDMGGWIGGCGG-HZPDHXFCSA-N 2 2 346.523 3.046 20 0 EGADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000248878593 163041425 /nfs/dbraw/zinc/04/14/25/163041425.db2.gz ORDDMGGWIGGCGG-HZPDHXFCSA-N 2 2 346.523 3.046 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000248884839 163043206 /nfs/dbraw/zinc/04/32/06/163043206.db2.gz QPWMPZYDYZEUSO-KRWDZBQOSA-N 2 2 341.503 3.114 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000248884839 163043207 /nfs/dbraw/zinc/04/32/07/163043207.db2.gz QPWMPZYDYZEUSO-KRWDZBQOSA-N 2 2 341.503 3.114 20 0 EGADLP COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337214975 163165710 /nfs/dbraw/zinc/16/57/10/163165710.db2.gz XYDSJAOKWZACLW-QGZVFWFLSA-N 2 2 347.484 3.351 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269823 163188599 /nfs/dbraw/zinc/18/85/99/163188599.db2.gz MHCIMXXIZPOPLV-QZTJIDSGSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269823 163188601 /nfs/dbraw/zinc/18/86/01/163188601.db2.gz MHCIMXXIZPOPLV-QZTJIDSGSA-N 2 2 343.515 3.161 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272690 163190587 /nfs/dbraw/zinc/19/05/87/163190587.db2.gz OPHHNWXYTYXKPH-AZUAARDMSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272690 163190592 /nfs/dbraw/zinc/19/05/92/163190592.db2.gz OPHHNWXYTYXKPH-AZUAARDMSA-N 2 2 345.531 3.450 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338539211 163265950 /nfs/dbraw/zinc/26/59/50/163265950.db2.gz CURVKPTXRXTARJ-LJQANCHMSA-N 2 2 338.499 3.231 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000338539211 163265955 /nfs/dbraw/zinc/26/59/55/163265955.db2.gz CURVKPTXRXTARJ-LJQANCHMSA-N 2 2 338.499 3.231 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000340469399 163586399 /nfs/dbraw/zinc/58/63/99/163586399.db2.gz JFROTOFWEJTXJB-FQEVSTJZSA-N 2 2 344.478 3.301 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745225 164024556 /nfs/dbraw/zinc/02/45/56/164024556.db2.gz RZAODEBTLRCXQI-QFBILLFUSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745225 164024558 /nfs/dbraw/zinc/02/45/58/164024558.db2.gz RZAODEBTLRCXQI-QFBILLFUSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745225 164024560 /nfs/dbraw/zinc/02/45/60/164024560.db2.gz RZAODEBTLRCXQI-QFBILLFUSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745225 164024562 /nfs/dbraw/zinc/02/45/62/164024562.db2.gz RZAODEBTLRCXQI-QFBILLFUSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798088 164036905 /nfs/dbraw/zinc/03/69/05/164036905.db2.gz OWMGNBWZVXCPQS-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798088 164036908 /nfs/dbraw/zinc/03/69/08/164036908.db2.gz OWMGNBWZVXCPQS-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798088 164036911 /nfs/dbraw/zinc/03/69/11/164036911.db2.gz OWMGNBWZVXCPQS-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798088 164036914 /nfs/dbraw/zinc/03/69/14/164036914.db2.gz OWMGNBWZVXCPQS-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000344037330 164088254 /nfs/dbraw/zinc/08/82/54/164088254.db2.gz WVUBKJRICGTXKT-VQTJNVASSA-N 2 2 346.515 3.202 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)c[nH+]1 ZINC000344250950 164137678 /nfs/dbraw/zinc/13/76/78/164137678.db2.gz INLPBKITYSATKB-HKUYNNGSSA-N 2 2 328.460 3.220 20 0 EGADLP COCc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1F ZINC000346060933 164328570 /nfs/dbraw/zinc/32/85/70/164328570.db2.gz DHVWYXJGKSAEMG-UHFFFAOYSA-N 2 2 343.446 3.121 20 0 EGADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000346100436 164336393 /nfs/dbraw/zinc/33/63/93/164336393.db2.gz SIMWNGLYIBCBSH-MRXNPFEDSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000346100436 164336394 /nfs/dbraw/zinc/33/63/94/164336394.db2.gz SIMWNGLYIBCBSH-MRXNPFEDSA-N 2 2 339.439 3.231 20 0 EGADLP C[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@@H]1CCC[NH+](C)C1 ZINC000346298097 164365334 /nfs/dbraw/zinc/36/53/34/164365334.db2.gz APMZFJZREDFFSG-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP C[N@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@@H]1CCC[NH+](C)C1 ZINC000346298097 164365335 /nfs/dbraw/zinc/36/53/35/164365335.db2.gz APMZFJZREDFFSG-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP C[NH+](Cc1ccc(Oc2ccccc2)nn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000346298097 164365336 /nfs/dbraw/zinc/36/53/36/164365336.db2.gz APMZFJZREDFFSG-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP C[NH+](Cc1ccc(Oc2ccccc2)nn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000346298097 164365337 /nfs/dbraw/zinc/36/53/37/164365337.db2.gz APMZFJZREDFFSG-MRXNPFEDSA-N 2 2 326.444 3.043 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)OCc1ccccc1 ZINC000354877982 166053760 /nfs/dbraw/zinc/05/37/60/166053760.db2.gz ZGKBJAOSWSJKPM-RBUKOAKNSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)OCc1ccccc1 ZINC000354877982 166053762 /nfs/dbraw/zinc/05/37/62/166053762.db2.gz ZGKBJAOSWSJKPM-RBUKOAKNSA-N 2 2 346.515 3.167 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@@]3([NH+](C)C)CCC[C@@H](C)C3)cc2n1C ZINC000354972861 166076180 /nfs/dbraw/zinc/07/61/80/166076180.db2.gz ARWQKOKHARAUQA-JLTOFOAXSA-N 2 2 342.487 3.122 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc4occc4c3)[nH+]c2)C1 ZINC000351618599 165102765 /nfs/dbraw/zinc/10/27/65/165102765.db2.gz AJBBJDZSULENKK-SFHVURJKSA-N 2 2 336.439 3.002 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352340200 165353449 /nfs/dbraw/zinc/35/34/49/165353449.db2.gz CEFRUQNJJHCVQZ-HOCLYGCPSA-N 2 2 330.394 3.033 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000352340200 165353452 /nfs/dbraw/zinc/35/34/52/165353452.db2.gz CEFRUQNJJHCVQZ-HOCLYGCPSA-N 2 2 330.394 3.033 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000358904019 167000377 /nfs/dbraw/zinc/00/03/77/167000377.db2.gz NQKCSUHHKRNGPT-WFASDCNBSA-N 2 2 334.261 3.181 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000359052913 167051176 /nfs/dbraw/zinc/05/11/76/167051176.db2.gz HCWNJSTXNMFDDN-RTBURBONSA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000359052913 167051179 /nfs/dbraw/zinc/05/11/79/167051179.db2.gz HCWNJSTXNMFDDN-RTBURBONSA-N 2 2 328.456 3.047 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000359223642 167099653 /nfs/dbraw/zinc/09/96/53/167099653.db2.gz KRFBVXQYYJCNCQ-WMLDXEAASA-N 2 2 328.859 3.223 20 0 EGADLP [NH3+]CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000359455742 167161471 /nfs/dbraw/zinc/16/14/71/167161471.db2.gz DTJCEDNTDWSZOV-UHFFFAOYSA-N 3 2 326.469 3.285 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000359455742 167161473 /nfs/dbraw/zinc/16/14/73/167161473.db2.gz DTJCEDNTDWSZOV-UHFFFAOYSA-N 3 2 326.469 3.285 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1)c1ccccc1 ZINC000359659460 167203606 /nfs/dbraw/zinc/20/36/06/167203606.db2.gz VCODDWBSCPJMBE-QFBILLFUSA-N 2 2 331.504 3.106 20 0 EGADLP CC(C)COc1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000360327272 167302941 /nfs/dbraw/zinc/30/29/41/167302941.db2.gz WANZQKFHZBKFJH-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC(C)COc1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000360327272 167302944 /nfs/dbraw/zinc/30/29/44/167302944.db2.gz WANZQKFHZBKFJH-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000360567042 167360152 /nfs/dbraw/zinc/36/01/52/167360152.db2.gz CEZRMISTJNTKIW-IBGZPJMESA-N 2 2 326.444 3.045 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000360567042 167360156 /nfs/dbraw/zinc/36/01/56/167360156.db2.gz CEZRMISTJNTKIW-IBGZPJMESA-N 2 2 326.444 3.045 20 0 EGADLP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(C(F)F)n1 ZINC000360964872 167464793 /nfs/dbraw/zinc/46/47/93/167464793.db2.gz BJAVZYSQWPXNCJ-UHFFFAOYSA-N 2 2 326.435 3.102 20 0 EGADLP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000361748860 167638755 /nfs/dbraw/zinc/63/87/55/167638755.db2.gz IDEUZONGVNTBIG-VQTJNVASSA-N 2 2 339.487 3.016 20 0 EGADLP COc1ncc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000367439842 168225969 /nfs/dbraw/zinc/22/59/69/168225969.db2.gz XNDSXJIAKGLKJX-QWHCGFSZSA-N 2 2 334.851 3.477 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000367589667 168245260 /nfs/dbraw/zinc/24/52/60/168245260.db2.gz QFQIFZRKRNSBPF-BPUTZDHNSA-N 2 2 338.879 3.171 20 0 EGADLP COc1c(C)cc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000367589667 168245261 /nfs/dbraw/zinc/24/52/61/168245261.db2.gz QFQIFZRKRNSBPF-BPUTZDHNSA-N 2 2 338.879 3.171 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000367701074 168260582 /nfs/dbraw/zinc/26/05/82/168260582.db2.gz KCKKVTJWZKBMHE-GFCCVEGCSA-N 2 2 325.334 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000367701074 168260584 /nfs/dbraw/zinc/26/05/84/168260584.db2.gz KCKKVTJWZKBMHE-GFCCVEGCSA-N 2 2 325.334 3.150 20 0 EGADLP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367966864 168290267 /nfs/dbraw/zinc/29/02/67/168290267.db2.gz RWUQVKYQEYRORF-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367966864 168290268 /nfs/dbraw/zinc/29/02/68/168290268.db2.gz RWUQVKYQEYRORF-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367966864 168290271 /nfs/dbraw/zinc/29/02/71/168290271.db2.gz RWUQVKYQEYRORF-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367966864 168290272 /nfs/dbraw/zinc/29/02/72/168290272.db2.gz RWUQVKYQEYRORF-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)cc1F ZINC000368048251 168303328 /nfs/dbraw/zinc/30/33/28/168303328.db2.gz XKVIEHZPFFEXPE-UHFFFAOYSA-N 2 2 349.360 3.071 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[NH+](C)C)cc2)c1C ZINC000194610768 266129948 /nfs/dbraw/zinc/12/99/48/266129948.db2.gz JJUCOWBRWCNAST-UHFFFAOYSA-N 2 2 341.455 3.041 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000273811145 267114799 /nfs/dbraw/zinc/11/47/99/267114799.db2.gz AWOHCXLDKBZHSJ-NSHDSACASA-N 2 2 332.261 3.366 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(Br)ncc1F ZINC000273875486 267131416 /nfs/dbraw/zinc/13/14/16/267131416.db2.gz PMJLJCVEAVAHEC-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000274274148 267210160 /nfs/dbraw/zinc/21/01/60/267210160.db2.gz XFDDRVHANNOVNN-CHWSQXEVSA-N 2 2 334.489 3.199 20 0 EGADLP Cc1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)c2cccc(F)c2[nH+]1 ZINC000274445199 267238647 /nfs/dbraw/zinc/23/86/47/267238647.db2.gz HNPHOVFBEZTQBT-AWEZNQCLSA-N 2 2 330.451 3.120 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000274575747 267256960 /nfs/dbraw/zinc/25/69/60/267256960.db2.gz JTLAGUBLGDFYAQ-UWJYYQICSA-N 2 2 338.499 3.331 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000276465875 267554100 /nfs/dbraw/zinc/55/41/00/267554100.db2.gz OMFLAWZTVNMFCC-UHFFFAOYSA-N 2 2 328.460 3.066 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@@H]1CCSC1 ZINC000278520309 268031339 /nfs/dbraw/zinc/03/13/39/268031339.db2.gz QATGZPMKVPTKFL-HNNXBMFYSA-N 2 2 335.517 3.002 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000339662325 274145440 /nfs/dbraw/zinc/14/54/40/274145440.db2.gz YBXDILZOJYMTTQ-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000339662325 274145443 /nfs/dbraw/zinc/14/54/43/274145443.db2.gz YBXDILZOJYMTTQ-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339937 /nfs/dbraw/zinc/33/99/37/274339937.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339939 /nfs/dbraw/zinc/33/99/39/274339939.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339940 /nfs/dbraw/zinc/33/99/40/274339940.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246895874 274339943 /nfs/dbraw/zinc/33/99/43/274339943.db2.gz FAPXZPGYVLJTOU-IAVZTARUSA-N 3 2 329.532 3.358 20 0 EGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000095425794 275058590 /nfs/dbraw/zinc/05/85/90/275058590.db2.gz UWXGKVKZESKTJS-IRXDYDNUSA-N 2 2 343.298 3.461 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000278640910 275261679 /nfs/dbraw/zinc/26/16/79/275261679.db2.gz JAZWRCMBSKNDKK-UHFFFAOYSA-N 2 2 344.411 3.203 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cnn1C(C)C ZINC000279049012 275299296 /nfs/dbraw/zinc/29/92/96/275299296.db2.gz XWBFIDGVXXHIIS-JOQOYGCGSA-N 2 2 331.464 3.077 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000279656036 275347259 /nfs/dbraw/zinc/34/72/59/275347259.db2.gz FSPCZNHDOUBILV-UHFFFAOYSA-N 2 2 348.450 3.281 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000280048780 275396959 /nfs/dbraw/zinc/39/69/59/275396959.db2.gz XJAXLXBEHGVFCK-XNXQJFLXSA-N 2 2 332.488 3.245 20 0 EGADLP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CS1 ZINC000366772608 276033169 /nfs/dbraw/zinc/03/31/69/276033169.db2.gz KVWAJZSYDAUUQN-IAGOWNOFSA-N 2 2 326.550 3.141 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000286978317 276065787 /nfs/dbraw/zinc/06/57/87/276065787.db2.gz IWFXWFWQCFPSOQ-KPFFTGBYSA-N 2 2 333.520 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000286978317 276065789 /nfs/dbraw/zinc/06/57/89/276065789.db2.gz IWFXWFWQCFPSOQ-KPFFTGBYSA-N 2 2 333.520 3.149 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770318 276074669 /nfs/dbraw/zinc/07/46/69/276074669.db2.gz AIDMXCNYBIEVQX-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770318 276074670 /nfs/dbraw/zinc/07/46/70/276074670.db2.gz AIDMXCNYBIEVQX-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770318 276074671 /nfs/dbraw/zinc/07/46/71/276074671.db2.gz AIDMXCNYBIEVQX-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093770318 276074673 /nfs/dbraw/zinc/07/46/73/276074673.db2.gz AIDMXCNYBIEVQX-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287191204 276094672 /nfs/dbraw/zinc/09/46/72/276094672.db2.gz DCQZTRLULUGLOU-MWQQHZPXSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000287191204 276094674 /nfs/dbraw/zinc/09/46/74/276094674.db2.gz DCQZTRLULUGLOU-MWQQHZPXSA-N 2 2 342.405 3.349 20 0 EGADLP COc1cccc([C@H](CNC(=O)Nc2c(C)cc[nH+]c2C)[NH+](C)C)c1 ZINC000287531773 276129296 /nfs/dbraw/zinc/12/92/96/276129296.db2.gz NMGLWIGDULOGAH-KRWDZBQOSA-N 2 2 342.443 3.131 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287857823 276164251 /nfs/dbraw/zinc/16/42/51/276164251.db2.gz XELDRCAJUVHKRM-VNQPRFMTSA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287857823 276164254 /nfs/dbraw/zinc/16/42/54/276164254.db2.gz XELDRCAJUVHKRM-VNQPRFMTSA-N 2 2 330.394 3.206 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000289068860 276286664 /nfs/dbraw/zinc/28/66/64/276286664.db2.gz ADDPDEIYEHBAAH-KRWDZBQOSA-N 2 2 349.272 3.408 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000289121101 276293659 /nfs/dbraw/zinc/29/36/59/276293659.db2.gz NSHPLAYLMBXPNJ-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000289121101 276293660 /nfs/dbraw/zinc/29/36/60/276293660.db2.gz NSHPLAYLMBXPNJ-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000289259591 276312478 /nfs/dbraw/zinc/31/24/78/276312478.db2.gz ODZQQGWNMGCBNL-ZHALLVOQSA-N 2 2 341.503 3.242 20 0 EGADLP COCCOCc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289287853 276316524 /nfs/dbraw/zinc/31/65/24/276316524.db2.gz PIGUPIHPKWWQOZ-FXAWDEMLSA-N 2 2 343.471 3.129 20 0 EGADLP COCCOCc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289287853 276316526 /nfs/dbraw/zinc/31/65/26/276316526.db2.gz PIGUPIHPKWWQOZ-FXAWDEMLSA-N 2 2 343.471 3.129 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000289387625 276331527 /nfs/dbraw/zinc/33/15/27/276331527.db2.gz MBPRQGPXGMYJOG-UHFFFAOYSA-N 2 2 340.452 3.438 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nncn1C ZINC000289537508 276354741 /nfs/dbraw/zinc/35/47/41/276354741.db2.gz QGZCOZFGSXVBHK-WDSOQIARSA-N 2 2 341.503 3.155 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nncn1C ZINC000289537508 276354742 /nfs/dbraw/zinc/35/47/42/276354742.db2.gz QGZCOZFGSXVBHK-WDSOQIARSA-N 2 2 341.503 3.155 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000289651834 276372636 /nfs/dbraw/zinc/37/26/36/276372636.db2.gz LOJGLCJDXNNCQU-UHFFFAOYSA-N 2 2 329.410 3.187 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)[NH+]2CCCC2)cc1 ZINC000289779420 276392950 /nfs/dbraw/zinc/39/29/50/276392950.db2.gz NVQPERYLRVXQDK-MJGOQNOKSA-N 2 2 341.503 3.137 20 0 EGADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c2c(Cl)cccc12 ZINC000291233229 276611695 /nfs/dbraw/zinc/61/16/95/276611695.db2.gz WXZKWGXHJYRWBK-CZUORRHYSA-N 2 2 331.847 3.188 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)[NH+](C)C)cc1 ZINC000133892522 276672742 /nfs/dbraw/zinc/67/27/42/276672742.db2.gz UYKYLLYHUGJHBI-QUCCMNQESA-N 2 2 326.488 3.252 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@H](c1ccccc1)[NH+](C)C ZINC000185679525 277623953 /nfs/dbraw/zinc/62/39/53/277623953.db2.gz KSLNQHOIUUDVSC-DYESRHJHSA-N 2 2 338.499 3.463 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293918668 278301553 /nfs/dbraw/zinc/30/15/53/278301553.db2.gz XFZAULUMFLGRGO-GXSJLCMTSA-N 2 2 326.263 3.373 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000187704747 278332165 /nfs/dbraw/zinc/33/21/65/278332165.db2.gz BLYMLGQPMFYQLY-YJBOKZPZSA-N 2 2 330.451 3.492 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000187704747 278332167 /nfs/dbraw/zinc/33/21/67/278332167.db2.gz BLYMLGQPMFYQLY-YJBOKZPZSA-N 2 2 330.451 3.492 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H]2CCCO[C@H]21 ZINC000378551844 278443535 /nfs/dbraw/zinc/44/35/35/278443535.db2.gz PIQKWWXCGRIORO-RBSFLKMASA-N 2 2 334.426 3.196 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015626 280240690 /nfs/dbraw/zinc/24/06/90/280240690.db2.gz LGGOHZHSFNTGLD-WOJBJXKFSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015626 280240693 /nfs/dbraw/zinc/24/06/93/280240693.db2.gz LGGOHZHSFNTGLD-WOJBJXKFSA-N 2 2 349.563 3.221 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982927 290058867 /nfs/dbraw/zinc/05/88/67/290058867.db2.gz SBDSHAPUZVIEFP-LXIYXOSZSA-N 2 2 327.472 3.050 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982927 290058870 /nfs/dbraw/zinc/05/88/70/290058870.db2.gz SBDSHAPUZVIEFP-LXIYXOSZSA-N 2 2 327.472 3.050 20 0 EGADLP C[C@H](c1ccccc1F)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250292921 290265525 /nfs/dbraw/zinc/26/55/25/290265525.db2.gz VRZWQFIPLRMONL-OKZBNKHCSA-N 2 2 333.495 3.377 20 0 EGADLP C[C@@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCCC[NH2+]1 ZINC000180978163 297874563 /nfs/dbraw/zinc/87/45/63/297874563.db2.gz JGVZWHGWFONNFL-IBGZPJMESA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccn2c(CN(CC[NH+](C)C)Cc3ccccc3F)c[nH+]c2c1 ZINC000348894151 302258774 /nfs/dbraw/zinc/25/87/74/302258774.db2.gz NFKMGHYKSSIFGH-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414055564 309058082 /nfs/dbraw/zinc/05/80/82/309058082.db2.gz CQTHOSAZXNPAOB-OAHLLOKOSA-N 2 2 333.501 3.429 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414055564 309058083 /nfs/dbraw/zinc/05/80/83/309058083.db2.gz CQTHOSAZXNPAOB-OAHLLOKOSA-N 2 2 333.501 3.429 20 0 EGADLP c1nc(-c2ccccn2)sc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127781409 307590317 /nfs/dbraw/zinc/59/03/17/307590317.db2.gz YOGIVVJZUSNHHZ-UHFFFAOYSA-N 2 2 328.485 3.265 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124310 309062411 /nfs/dbraw/zinc/06/24/11/309062411.db2.gz BZCXBBCYYCDABJ-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124310 309062412 /nfs/dbraw/zinc/06/24/12/309062412.db2.gz BZCXBBCYYCDABJ-APWZRJJASA-N 2 2 326.488 3.371 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000414131118 309062679 /nfs/dbraw/zinc/06/26/79/309062679.db2.gz XKMKIZZLMARSJO-IRXDYDNUSA-N 2 2 327.472 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000414131118 309062680 /nfs/dbraw/zinc/06/26/80/309062680.db2.gz XKMKIZZLMARSJO-IRXDYDNUSA-N 2 2 327.472 3.131 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(OC3CCCCC3)cc2)n1C ZINC000414323362 309073026 /nfs/dbraw/zinc/07/30/26/309073026.db2.gz UQHRMAZWUFAULG-UHFFFAOYSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414361019 309075232 /nfs/dbraw/zinc/07/52/32/309075232.db2.gz PAOCGMLSAYQLHG-HKUYNNGSSA-N 2 2 342.487 3.274 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367464 309075685 /nfs/dbraw/zinc/07/56/85/309075685.db2.gz QRYOWZMDQUYASL-KDOFPFPSSA-N 2 2 348.853 3.360 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367464 309075686 /nfs/dbraw/zinc/07/56/86/309075686.db2.gz QRYOWZMDQUYASL-KDOFPFPSSA-N 2 2 348.853 3.360 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3cccnc3)CC1)CO2 ZINC000414386594 309076976 /nfs/dbraw/zinc/07/69/76/309076976.db2.gz YVTPQIORFGWUFU-SFHVURJKSA-N 2 2 343.858 3.423 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000248590117 308006471 /nfs/dbraw/zinc/00/64/71/308006471.db2.gz RBYSAWJLYRQKSG-YUXAGFNASA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000248590117 308006472 /nfs/dbraw/zinc/00/64/72/308006472.db2.gz RBYSAWJLYRQKSG-YUXAGFNASA-N 2 2 338.495 3.090 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248822775 308012507 /nfs/dbraw/zinc/01/25/07/308012507.db2.gz YFGQRJMZOLQWEE-YSTOQKLRSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248822775 308012509 /nfs/dbraw/zinc/01/25/09/308012509.db2.gz YFGQRJMZOLQWEE-YSTOQKLRSA-N 2 2 326.484 3.198 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000414439030 309080132 /nfs/dbraw/zinc/08/01/32/309080132.db2.gz FIMGNNMPPFWIPJ-HNNXBMFYSA-N 2 2 339.418 3.043 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000414439030 309080133 /nfs/dbraw/zinc/08/01/33/309080133.db2.gz FIMGNNMPPFWIPJ-HNNXBMFYSA-N 2 2 339.418 3.043 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(Br)c1 ZINC000292845327 308071819 /nfs/dbraw/zinc/07/18/19/308071819.db2.gz PZMZLSKGLQIOGW-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(Br)c1 ZINC000292845327 308071821 /nfs/dbraw/zinc/07/18/21/308071821.db2.gz PZMZLSKGLQIOGW-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccnc(Br)c1 ZINC000292845327 308071823 /nfs/dbraw/zinc/07/18/23/308071823.db2.gz PZMZLSKGLQIOGW-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccnc(Br)c1 ZINC000292845327 308071825 /nfs/dbraw/zinc/07/18/25/308071825.db2.gz PZMZLSKGLQIOGW-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862319 308073612 /nfs/dbraw/zinc/07/36/12/308073612.db2.gz CNXMRKGVCIELDQ-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862319 308073613 /nfs/dbraw/zinc/07/36/13/308073613.db2.gz CNXMRKGVCIELDQ-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862319 308073614 /nfs/dbraw/zinc/07/36/14/308073614.db2.gz CNXMRKGVCIELDQ-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862319 308073615 /nfs/dbraw/zinc/07/36/15/308073615.db2.gz CNXMRKGVCIELDQ-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP Cc1nccnc1CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000292984003 308086997 /nfs/dbraw/zinc/08/69/97/308086997.db2.gz LLTDKYBFNFSLOJ-UHFFFAOYSA-N 2 2 344.890 3.235 20 0 EGADLP CC(C)c1nnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC000293015972 308090407 /nfs/dbraw/zinc/09/04/07/308090407.db2.gz CDAHBWFYNJSRLM-HOTGVXAUSA-N 2 2 341.503 3.174 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022788 308091085 /nfs/dbraw/zinc/09/10/85/308091085.db2.gz QVZYGHXQXBFQSP-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000293022788 308091086 /nfs/dbraw/zinc/09/10/86/308091086.db2.gz QVZYGHXQXBFQSP-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000293022788 308091087 /nfs/dbraw/zinc/09/10/87/308091087.db2.gz QVZYGHXQXBFQSP-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000293022788 308091088 /nfs/dbraw/zinc/09/10/88/308091088.db2.gz QVZYGHXQXBFQSP-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047070 308093665 /nfs/dbraw/zinc/09/36/65/308093665.db2.gz SUJSVMUAHGZHTD-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047070 308093667 /nfs/dbraw/zinc/09/36/67/308093667.db2.gz SUJSVMUAHGZHTD-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000293047070 308093669 /nfs/dbraw/zinc/09/36/69/308093669.db2.gz SUJSVMUAHGZHTD-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000293047070 308093671 /nfs/dbraw/zinc/09/36/71/308093671.db2.gz SUJSVMUAHGZHTD-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225609 308111236 /nfs/dbraw/zinc/11/12/36/308111236.db2.gz AORPUBCEYCNGTM-QAPCUYQASA-N 2 2 345.466 3.277 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225609 308111238 /nfs/dbraw/zinc/11/12/38/308111238.db2.gz AORPUBCEYCNGTM-QAPCUYQASA-N 2 2 345.466 3.277 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670241 308151269 /nfs/dbraw/zinc/15/12/69/308151269.db2.gz JRXZUESHZBQLPX-QAPCUYQASA-N 2 2 345.466 3.135 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670241 308151271 /nfs/dbraw/zinc/15/12/71/308151271.db2.gz JRXZUESHZBQLPX-QAPCUYQASA-N 2 2 345.466 3.135 20 0 EGADLP CC(C)c1nnc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[nH]1 ZINC000294934295 308273375 /nfs/dbraw/zinc/27/33/75/308273375.db2.gz ZSIKNJKTTRJXEK-UHFFFAOYSA-N 2 2 329.492 3.176 20 0 EGADLP CC(C)c1nnc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000294934295 308273376 /nfs/dbraw/zinc/27/33/76/308273376.db2.gz ZSIKNJKTTRJXEK-UHFFFAOYSA-N 2 2 329.492 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295044940 308284792 /nfs/dbraw/zinc/28/47/92/308284792.db2.gz AGHRYKXTXGKROV-UHFFFAOYSA-N 2 2 338.224 3.151 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295044940 308284794 /nfs/dbraw/zinc/28/47/94/308284794.db2.gz AGHRYKXTXGKROV-UHFFFAOYSA-N 2 2 338.224 3.151 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108034 308291985 /nfs/dbraw/zinc/29/19/85/308291985.db2.gz UYQVOCIWXOQYNV-OAHLLOKOSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108034 308291986 /nfs/dbraw/zinc/29/19/86/308291986.db2.gz UYQVOCIWXOQYNV-OAHLLOKOSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108034 308291987 /nfs/dbraw/zinc/29/19/87/308291987.db2.gz UYQVOCIWXOQYNV-OAHLLOKOSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000295108034 308291988 /nfs/dbraw/zinc/29/19/88/308291988.db2.gz UYQVOCIWXOQYNV-OAHLLOKOSA-N 2 2 338.879 3.290 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295492860 308332246 /nfs/dbraw/zinc/33/22/46/308332246.db2.gz STRBULHCPGBZAR-ZBFHGGJFSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295492860 308332248 /nfs/dbraw/zinc/33/22/48/308332248.db2.gz STRBULHCPGBZAR-ZBFHGGJFSA-N 2 2 331.410 3.360 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@H]3C[C@H](C)n4cc[nH+]c43)c(C)c2)CC1 ZINC000296964054 308484825 /nfs/dbraw/zinc/48/48/25/308484825.db2.gz RETBAHTWAGRBLN-LPHOPBHVSA-N 2 2 339.487 3.451 20 0 EGADLP c1nc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)oc1C1CC1 ZINC000297825035 308566262 /nfs/dbraw/zinc/56/62/62/308566262.db2.gz ZHCHHFUOYHQLNZ-UHFFFAOYSA-N 2 2 334.423 3.422 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414778297 309100434 /nfs/dbraw/zinc/10/04/34/309100434.db2.gz PONLFSKBIGGTEN-UHFFFAOYSA-N 2 2 332.879 3.123 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000414778297 309100435 /nfs/dbraw/zinc/10/04/35/309100435.db2.gz PONLFSKBIGGTEN-UHFFFAOYSA-N 2 2 332.879 3.123 20 0 EGADLP c1ccc([C@H]2CCc3nc(C[NH2+]C4CC[NH2+]CC4)sc3C2)cc1 ZINC000414787870 309101262 /nfs/dbraw/zinc/10/12/62/309101262.db2.gz LXFFAUZKDMQORZ-HNNXBMFYSA-N 2 2 327.497 3.257 20 0 EGADLP C[C@@H]1C[NH+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@@H](C)O1 ZINC000301705888 308711699 /nfs/dbraw/zinc/71/16/99/308711699.db2.gz GFSYNFLFUPJECH-CHWSQXEVSA-N 2 2 331.382 3.402 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000309965107 308763114 /nfs/dbraw/zinc/76/31/14/308763114.db2.gz KKTJWNPRUIWMAT-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP c1c(C[NH2+][C@@H]2CCC[NH2+]C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414871652 309106579 /nfs/dbraw/zinc/10/65/79/309106579.db2.gz UZOZVMVKEKPVKK-OAQYLSRUSA-N 2 2 346.478 3.440 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC)c(F)c2)cc1 ZINC000414884908 309107081 /nfs/dbraw/zinc/10/70/81/309107081.db2.gz OIGGOUTZFUCWBL-MJGOQNOKSA-N 2 2 344.430 3.078 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000414892639 309107702 /nfs/dbraw/zinc/10/77/02/309107702.db2.gz XDBDRKHYHIVEBC-LPHOPBHVSA-N 2 2 332.394 3.209 20 0 EGADLP COc1ccsc1C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000414893658 309107713 /nfs/dbraw/zinc/10/77/13/309107713.db2.gz YLIIISQTLQJGPM-HOTGVXAUSA-N 2 2 332.469 3.001 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]C1 ZINC000414903345 309108338 /nfs/dbraw/zinc/10/83/38/309108338.db2.gz IFYPFLIDYFQZQX-LJQANCHMSA-N 3 2 335.923 3.284 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cc2)cs1 ZINC000414937978 309110230 /nfs/dbraw/zinc/11/02/30/309110230.db2.gz VTSYVPBYOILKRF-UGSOOPFHSA-N 2 2 331.485 3.118 20 0 EGADLP [NH3+]C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000414937582 309110253 /nfs/dbraw/zinc/11/02/53/309110253.db2.gz HUZPGHWCYMSZAT-NRFANRHFSA-N 3 2 346.478 3.493 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)c1 ZINC000414978541 309112519 /nfs/dbraw/zinc/11/25/19/309112519.db2.gz MJGHXKPIQWQJAV-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1SC ZINC000415038167 309115684 /nfs/dbraw/zinc/11/56/84/309115684.db2.gz HOMXCKGYKSCQJZ-DLBZAZTESA-N 2 2 328.481 3.262 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058644 309117386 /nfs/dbraw/zinc/11/73/86/309117386.db2.gz VWWUEPDCHFOMCO-DZGCQCFKSA-N 2 2 338.879 3.321 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058644 309117387 /nfs/dbraw/zinc/11/73/87/309117387.db2.gz VWWUEPDCHFOMCO-DZGCQCFKSA-N 2 2 338.879 3.321 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058655 309117417 /nfs/dbraw/zinc/11/74/17/309117417.db2.gz VWWUEPDCHFOMCO-ZFWWWQNUSA-N 2 2 338.879 3.321 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058655 309117418 /nfs/dbraw/zinc/11/74/18/309117418.db2.gz VWWUEPDCHFOMCO-ZFWWWQNUSA-N 2 2 338.879 3.321 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2CC)C[C@H]1C ZINC000415063986 309117727 /nfs/dbraw/zinc/11/77/27/309117727.db2.gz JNGTYGVBMBYFLL-NOCIGQNYSA-N 2 2 332.488 3.206 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000415136251 309123198 /nfs/dbraw/zinc/12/31/98/309123198.db2.gz QZVRUWYXIBMQIV-QWFCFKBJSA-N 3 2 329.532 3.394 20 0 EGADLP CC(C)[C@](C)(C[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415183166 309125180 /nfs/dbraw/zinc/12/51/80/309125180.db2.gz IDGWVBPLKBDFIG-SFHVURJKSA-N 2 2 328.416 3.369 20 0 EGADLP C[C@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@H]1[NH3+] ZINC000415191451 309125658 /nfs/dbraw/zinc/12/56/58/309125658.db2.gz VKPDQBCEFHKEQM-SUMWQHHRSA-N 2 2 326.400 3.075 20 0 EGADLP C[NH2+]Cc1ccccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000415905712 309147316 /nfs/dbraw/zinc/14/73/16/309147316.db2.gz VJXKOMQCXARXDU-UHFFFAOYSA-N 2 2 342.443 3.090 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ccccc1C[NH2+]C ZINC000415925909 309149179 /nfs/dbraw/zinc/14/91/79/309149179.db2.gz UUNZBRQCIVAPLK-QGZVFWFLSA-N 2 2 341.459 3.382 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000415933294 309149664 /nfs/dbraw/zinc/14/96/64/309149664.db2.gz NYCDVVUVVQMMQJ-UHFFFAOYSA-N 2 2 337.427 3.074 20 0 EGADLP C[NH+](C)C1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000417357746 309202851 /nfs/dbraw/zinc/20/28/51/309202851.db2.gz RZBJVUVUCIHOQU-UHFFFAOYSA-N 2 2 339.886 3.127 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000417818676 309223956 /nfs/dbraw/zinc/22/39/56/309223956.db2.gz BASLPBQCLRNJSR-UHFFFAOYSA-N 2 2 330.501 3.106 20 0 EGADLP CCn1c[nH+]cc1CNC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000417860416 309225461 /nfs/dbraw/zinc/22/54/61/309225461.db2.gz VATSTGLSPWJFGH-LJQANCHMSA-N 2 2 330.476 3.084 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000419296993 309263443 /nfs/dbraw/zinc/26/34/43/309263443.db2.gz SWXZGVKBIAUTNV-INIZCTEOSA-N 2 2 329.488 3.237 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000419299013 309263566 /nfs/dbraw/zinc/26/35/66/309263566.db2.gz XQMXYKBZFOEICU-CQSZACIVSA-N 2 2 347.528 3.342 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000419690179 309271128 /nfs/dbraw/zinc/27/11/28/309271128.db2.gz UXTMTJLRQAMBDP-CQSZACIVSA-N 2 2 330.501 3.204 20 0 EGADLP CC(C)[N@H+]1CCc2nc(CNc3ccc4[nH]c[nH+]c4c3)sc2C1 ZINC000419724110 309271259 /nfs/dbraw/zinc/27/12/59/309271259.db2.gz GWZUGCISUPBACZ-UHFFFAOYSA-N 2 2 327.457 3.398 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)n1C ZINC000419746210 309271438 /nfs/dbraw/zinc/27/14/38/309271438.db2.gz LGOWERAKIKFPMT-OAHLLOKOSA-N 2 2 340.393 3.312 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420309269 309280909 /nfs/dbraw/zinc/28/09/09/309280909.db2.gz DVEOXGGAAOEXQI-FPOVZHCZSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000420309269 309280910 /nfs/dbraw/zinc/28/09/10/309280910.db2.gz DVEOXGGAAOEXQI-FPOVZHCZSA-N 2 2 337.467 3.346 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316258 309281593 /nfs/dbraw/zinc/28/15/93/309281593.db2.gz NANPLKBRSOJOHU-YJBOKZPZSA-N 2 2 342.874 3.289 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316258 309281594 /nfs/dbraw/zinc/28/15/94/309281594.db2.gz NANPLKBRSOJOHU-YJBOKZPZSA-N 2 2 342.874 3.289 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000420359964 309284208 /nfs/dbraw/zinc/28/42/08/309284208.db2.gz GMEZMZKHTDDXTH-NLPXPOPTSA-N 2 2 331.504 3.009 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000420372255 309284936 /nfs/dbraw/zinc/28/49/36/309284936.db2.gz QDWNXISDJURQAD-DZHLUBAWSA-N 2 2 344.286 3.297 20 0 EGADLP Fc1cccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420402886 309286765 /nfs/dbraw/zinc/28/67/65/309286765.db2.gz QXOIMWASFCNZPX-DOTOQJQBSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420402886 309286766 /nfs/dbraw/zinc/28/67/66/309286766.db2.gz QXOIMWASFCNZPX-DOTOQJQBSA-N 2 2 329.419 3.445 20 0 EGADLP CCc1nc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000420920898 309301162 /nfs/dbraw/zinc/30/11/62/309301162.db2.gz KOGMFKPTAKNMLB-OAHLLOKOSA-N 2 2 345.512 3.389 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000420929339 309301850 /nfs/dbraw/zinc/30/18/50/309301850.db2.gz DMNSTQBKLVMPMH-HNNXBMFYSA-N 2 2 331.485 3.135 20 0 EGADLP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000421358453 309320268 /nfs/dbraw/zinc/32/02/68/309320268.db2.gz TTZLQPFDFUFSKR-UHFFFAOYSA-N 2 2 346.515 3.123 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCc3cccnc3CC2)[nH+]1 ZINC000421820147 309341493 /nfs/dbraw/zinc/34/14/93/309341493.db2.gz KXLAEUBCTISRCE-FQEVSTJZSA-N 2 2 346.478 3.406 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccco1 ZINC000422200794 309357745 /nfs/dbraw/zinc/35/77/45/309357745.db2.gz KDXWAPAOAPRGPW-DYVFJYSZSA-N 2 2 344.459 3.220 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[NH2+]1 ZINC000422701557 309363925 /nfs/dbraw/zinc/36/39/25/309363925.db2.gz DGBNWJXLJZTNDT-SWLSCSKDSA-N 2 2 338.377 3.121 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(OCc2ccccn2)c1 ZINC000422721204 309364882 /nfs/dbraw/zinc/36/48/82/309364882.db2.gz NPYHGDWWVDPXNM-GQIGUUNPSA-N 2 2 325.456 3.452 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422722778 309365043 /nfs/dbraw/zinc/36/50/43/309365043.db2.gz PRYHUQKRJIYNAN-NSHDSACASA-N 2 2 328.441 3.416 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422762169 309367057 /nfs/dbraw/zinc/36/70/57/309367057.db2.gz RXMALDVGWBSWQD-OXJNMPFZSA-N 3 2 336.483 3.283 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422779084 309367882 /nfs/dbraw/zinc/36/78/82/309367882.db2.gz ILMOJZIDDRFQDF-OCCSQVGLSA-N 2 2 347.286 3.119 20 0 EGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1OC(F)F ZINC000422827951 309370560 /nfs/dbraw/zinc/37/05/60/309370560.db2.gz FMAGSQJTYMEXIJ-NFAWXSAZSA-N 2 2 328.403 3.096 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000422913962 309376037 /nfs/dbraw/zinc/37/60/37/309376037.db2.gz ZOCHJWOHFYQALP-WFXMLNOXSA-N 2 2 325.500 3.055 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000422958692 309378302 /nfs/dbraw/zinc/37/83/02/309378302.db2.gz YRTHTAOEYSGJMJ-NWDGAFQWSA-N 2 2 329.271 3.339 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422962871 309378458 /nfs/dbraw/zinc/37/84/58/309378458.db2.gz GVTMWXNJEIOAJO-YSIASYRMSA-N 2 2 341.499 3.355 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422962871 309378459 /nfs/dbraw/zinc/37/84/59/309378459.db2.gz GVTMWXNJEIOAJO-YSIASYRMSA-N 2 2 341.499 3.355 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422964479 309378548 /nfs/dbraw/zinc/37/85/48/309378548.db2.gz LVPANPYMPIULHY-OXQOHEQNSA-N 2 2 339.483 3.451 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422968936 309378855 /nfs/dbraw/zinc/37/88/55/309378855.db2.gz YATDREMPRJUTLI-OXQOHEQNSA-N 2 2 339.483 3.451 20 0 EGADLP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000422996489 309380011 /nfs/dbraw/zinc/38/00/11/309380011.db2.gz SVUMCMFVPCZBPP-OLMNPRSZSA-N 2 2 332.394 3.081 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423029748 309381826 /nfs/dbraw/zinc/38/18/26/309381826.db2.gz VIHWSHBRTCVPHW-MJSCVDMRSA-N 3 2 339.886 3.189 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423029748 309381827 /nfs/dbraw/zinc/38/18/27/309381827.db2.gz VIHWSHBRTCVPHW-MJSCVDMRSA-N 3 2 339.886 3.189 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423034939 309382291 /nfs/dbraw/zinc/38/22/91/309382291.db2.gz QUUXTSFFXOPBHK-IIBYNOLFSA-N 2 2 334.467 3.229 20 0 EGADLP Brc1ccc(Br)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000423051716 309383156 /nfs/dbraw/zinc/38/31/56/309383156.db2.gz OCZYVOOBNKOHKB-UHFFFAOYSA-N 2 2 348.082 3.053 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423056524 309383536 /nfs/dbraw/zinc/38/35/36/309383536.db2.gz YDZUAVJAGJVMLB-OLZOCXBDSA-N 2 2 328.859 3.113 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423130848 309387430 /nfs/dbraw/zinc/38/74/30/309387430.db2.gz SGRKUPYGDYWGQQ-FIKGOQFSSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423130848 309387431 /nfs/dbraw/zinc/38/74/31/309387431.db2.gz SGRKUPYGDYWGQQ-FIKGOQFSSA-N 3 2 338.499 3.162 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CCC[NH2+]1 ZINC000423415642 309399254 /nfs/dbraw/zinc/39/92/54/309399254.db2.gz DZUHXGRSQRLGRU-NHYWBVRUSA-N 2 2 345.256 3.007 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423192634 309389989 /nfs/dbraw/zinc/38/99/89/309389989.db2.gz PWOCSLWRBSHRQD-FZMZJTMJSA-N 2 2 325.250 3.004 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423196942 309390154 /nfs/dbraw/zinc/39/01/54/309390154.db2.gz WYURAQKTHPIDOR-ZJUUUORDSA-N 2 2 336.329 3.292 20 0 EGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ncc(Br)s1 ZINC000423259920 309392747 /nfs/dbraw/zinc/39/27/47/309392747.db2.gz GBMWWCXJGLTNDB-MWLCHTKSSA-N 2 2 332.311 3.464 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423270485 309393286 /nfs/dbraw/zinc/39/32/86/309393286.db2.gz WWTSKBXUQHNBHA-UGSOOPFHSA-N 2 2 333.476 3.212 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H](C)[NH3+] ZINC000423298039 309394536 /nfs/dbraw/zinc/39/45/36/309394536.db2.gz MWHRPRDKOOTOPA-SCLBCKFNSA-N 2 2 328.460 3.321 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423306023 309394577 /nfs/dbraw/zinc/39/45/77/309394577.db2.gz DEXYEXXRLQPMLK-CQSZACIVSA-N 2 2 327.266 3.252 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2cc(C)ccn2)cc1 ZINC000423324032 309395196 /nfs/dbraw/zinc/39/51/96/309395196.db2.gz HTWJRRZTZCQGBJ-ZAAXVRCTSA-N 2 2 325.456 3.195 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@H](C)C[NH3+])s2)cc1OC ZINC000423326723 309395276 /nfs/dbraw/zinc/39/52/76/309395276.db2.gz MWAVFIOQXRAXRR-VXGBXAGGSA-N 2 2 349.500 3.057 20 0 EGADLP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000423352125 309396508 /nfs/dbraw/zinc/39/65/08/309396508.db2.gz JSGOCDNJZDTHTA-NRFANRHFSA-N 2 2 336.483 3.295 20 0 EGADLP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000423351473 309396694 /nfs/dbraw/zinc/39/66/94/309396694.db2.gz IDNYLFXKAJNCEJ-MRXNPFEDSA-N 2 2 330.407 3.248 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncc(F)c1 ZINC000423366470 309397438 /nfs/dbraw/zinc/39/74/38/309397438.db2.gz LPSIXEIEMLXCGC-GEWABHDNSA-N 2 2 335.373 3.295 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383485 309397904 /nfs/dbraw/zinc/39/79/04/309397904.db2.gz JLEXIVFUUQZRTE-APWZRJJASA-N 3 2 333.520 3.056 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423414032 309399361 /nfs/dbraw/zinc/39/93/61/309399361.db2.gz LZGQMASOZAOZBX-LEWJYISDSA-N 2 2 340.467 3.143 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1Br ZINC000423415965 309399601 /nfs/dbraw/zinc/39/96/01/309399601.db2.gz FJTAMHUUZQYPHN-HZPDHXFCSA-N 2 2 341.293 3.258 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CCC[NH2+]1 ZINC000423422310 309399764 /nfs/dbraw/zinc/39/97/64/309399764.db2.gz KKCUGXDQUFDKGJ-SJLPKXTDSA-N 2 2 338.879 3.220 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CCC[NH2+]1 ZINC000423426694 309399942 /nfs/dbraw/zinc/39/99/42/309399942.db2.gz NJDASBMPFVGZEV-SJKOYZFVSA-N 2 2 325.522 3.168 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2nccn21 ZINC000423481006 309401931 /nfs/dbraw/zinc/40/19/31/309401931.db2.gz WLYZGXDLQJSSKG-PLYYQAHHSA-N 2 2 328.435 3.011 20 0 EGADLP Fc1ccc(C([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccc(F)cc2)cc1 ZINC000423495285 309402971 /nfs/dbraw/zinc/40/29/71/309402971.db2.gz UIXQARSZVVCHSM-GOSISDBHSA-N 2 2 332.394 3.022 20 0 EGADLP CC[NH2+][C@H](C)CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000423604125 309407437 /nfs/dbraw/zinc/40/74/37/309407437.db2.gz HTHXMUPIIWOJCV-OAHLLOKOSA-N 2 2 342.487 3.198 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000424369167 309440557 /nfs/dbraw/zinc/44/05/57/309440557.db2.gz QVWYZDRBPUYFBZ-ZIAGYGMSSA-N 2 2 349.276 3.199 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)(F)F ZINC000427889583 309537810 /nfs/dbraw/zinc/53/78/10/309537810.db2.gz HFEGLLVJQXDKEV-VXGBXAGGSA-N 2 2 325.334 3.447 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000428280503 309546501 /nfs/dbraw/zinc/54/65/01/309546501.db2.gz ANKQMFYGEHNATP-UHFFFAOYSA-N 2 2 338.908 3.114 20 0 EGADLP [NH3+]C1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000430598889 309612684 /nfs/dbraw/zinc/61/26/84/309612684.db2.gz DUOPBVAVUCDDSO-UHFFFAOYSA-N 2 2 336.233 3.027 20 0 EGADLP C[NH+](C)[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000431725273 309641225 /nfs/dbraw/zinc/64/12/25/309641225.db2.gz MDQSJYHDIXBOMH-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP CCn1cc[nH+]c1CN(Cc1ccccc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000435432550 309732908 /nfs/dbraw/zinc/73/29/08/309732908.db2.gz JDVFVQWHKXYYIL-SFHVURJKSA-N 2 2 342.462 3.186 20 0 EGADLP C[C@H](Cc1ccccc1F)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000437789199 309799675 /nfs/dbraw/zinc/79/96/75/309799675.db2.gz VIJLWDHGJHOOCE-QAPCUYQASA-N 2 2 342.462 3.404 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4C[C@@]45CC[NH2+]C5)cc3)[nH+]c12 ZINC000444172234 309915175 /nfs/dbraw/zinc/91/51/75/309915175.db2.gz XGZKZSWAFPYMCF-DYESRHJHSA-N 2 2 346.434 3.248 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c1 ZINC000444265162 309917099 /nfs/dbraw/zinc/91/70/99/309917099.db2.gz JHTSRDMODUKGNQ-XLIONFOSSA-N 2 2 338.455 3.288 20 0 EGADLP Fc1cc2c(c(F)c1F)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000449071150 310034769 /nfs/dbraw/zinc/03/47/69/310034769.db2.gz AJEYMOHFNIXTNV-CQSZACIVSA-N 2 2 335.373 3.456 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000449075021 310035000 /nfs/dbraw/zinc/03/50/00/310035000.db2.gz QLDANJDRJAZXJV-SFHVURJKSA-N 2 2 325.456 3.165 20 0 EGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449115342 310038148 /nfs/dbraw/zinc/03/81/48/310038148.db2.gz HDAKMRKIALKOHS-QGZVFWFLSA-N 2 2 328.456 3.049 20 0 EGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449115342 310038149 /nfs/dbraw/zinc/03/81/49/310038149.db2.gz HDAKMRKIALKOHS-QGZVFWFLSA-N 2 2 328.456 3.049 20 0 EGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1F ZINC000449167237 310041757 /nfs/dbraw/zinc/04/17/57/310041757.db2.gz ISWPMLIFQDGBGT-WOJBJXKFSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1F ZINC000449167237 310041758 /nfs/dbraw/zinc/04/17/58/310041758.db2.gz ISWPMLIFQDGBGT-WOJBJXKFSA-N 2 2 342.458 3.107 20 0 EGADLP COc1cc(F)cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000449220953 310045661 /nfs/dbraw/zinc/04/56/61/310045661.db2.gz FLCSYRQOXWDQDX-UHFFFAOYSA-N 2 2 327.403 3.443 20 0 EGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)sc1Cl ZINC000449325793 310053543 /nfs/dbraw/zinc/05/35/43/310053543.db2.gz POQQDMBGZKYLAW-UHFFFAOYSA-N 2 2 336.332 3.124 20 0 EGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)sc1Cl ZINC000449325793 310053542 /nfs/dbraw/zinc/05/35/42/310053542.db2.gz POQQDMBGZKYLAW-UHFFFAOYSA-N 2 2 336.332 3.124 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449350285 310056129 /nfs/dbraw/zinc/05/61/29/310056129.db2.gz JQQHXXKCEFFAFW-AWEZNQCLSA-N 2 2 329.835 3.291 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000449385268 310057955 /nfs/dbraw/zinc/05/79/55/310057955.db2.gz FBOQDSVDLWDKGO-QRVBRYPASA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000449385268 310057956 /nfs/dbraw/zinc/05/79/56/310057956.db2.gz FBOQDSVDLWDKGO-QRVBRYPASA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000449388829 310058340 /nfs/dbraw/zinc/05/83/40/310058340.db2.gz QKLFGCIHAIKLGP-AYBZRNKSSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000449388829 310058341 /nfs/dbraw/zinc/05/83/41/310058341.db2.gz QKLFGCIHAIKLGP-AYBZRNKSSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395148 310058586 /nfs/dbraw/zinc/05/85/86/310058586.db2.gz ICELGRAJMRMFGY-KGLIPLIRSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395148 310058587 /nfs/dbraw/zinc/05/85/87/310058587.db2.gz ICELGRAJMRMFGY-KGLIPLIRSA-N 2 2 345.314 3.361 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000449395420 310058743 /nfs/dbraw/zinc/05/87/43/310058743.db2.gz IWGDMQGXXJHZMD-VDZJLULYSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000449395420 310058744 /nfs/dbraw/zinc/05/87/44/310058744.db2.gz IWGDMQGXXJHZMD-VDZJLULYSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000449470920 310064775 /nfs/dbraw/zinc/06/47/75/310064775.db2.gz BOUNNXCHNOACSA-SFHVURJKSA-N 2 2 326.488 3.306 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000449470920 310064776 /nfs/dbraw/zinc/06/47/76/310064776.db2.gz BOUNNXCHNOACSA-SFHVURJKSA-N 2 2 326.488 3.306 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@@H](CO)CC(C)(C)C)sc2C1 ZINC000449593459 310074487 /nfs/dbraw/zinc/07/44/87/310074487.db2.gz ZWVZFRDWVDGMMY-CQSZACIVSA-N 2 2 339.549 3.139 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@@H](CO)CC(C)(C)C)sc2C1 ZINC000449593459 310074488 /nfs/dbraw/zinc/07/44/88/310074488.db2.gz ZWVZFRDWVDGMMY-CQSZACIVSA-N 2 2 339.549 3.139 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)sc2C1 ZINC000449593459 310074489 /nfs/dbraw/zinc/07/44/89/310074489.db2.gz ZWVZFRDWVDGMMY-CQSZACIVSA-N 2 2 339.549 3.139 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)sc2C1 ZINC000449593459 310074490 /nfs/dbraw/zinc/07/44/90/310074490.db2.gz ZWVZFRDWVDGMMY-CQSZACIVSA-N 2 2 339.549 3.139 20 0 EGADLP COc1cccnc1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449746447 310083851 /nfs/dbraw/zinc/08/38/51/310083851.db2.gz GGGMIKMMCNEFLF-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000449754790 310084594 /nfs/dbraw/zinc/08/45/94/310084594.db2.gz RXSJFWFSMVNISX-MRXNPFEDSA-N 2 2 345.830 3.398 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1csnn1 ZINC000450457225 310123843 /nfs/dbraw/zinc/12/38/43/310123843.db2.gz RBUAGHWMCZDHBS-CQSZACIVSA-N 2 2 331.489 3.233 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1csnn1 ZINC000450457225 310123844 /nfs/dbraw/zinc/12/38/44/310123844.db2.gz RBUAGHWMCZDHBS-CQSZACIVSA-N 2 2 331.489 3.233 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451697900 310192874 /nfs/dbraw/zinc/19/28/74/310192874.db2.gz IVADLDQVYMISFM-POAQFYNOSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451697900 310192875 /nfs/dbraw/zinc/19/28/75/310192875.db2.gz IVADLDQVYMISFM-POAQFYNOSA-N 2 2 325.456 3.164 20 0 EGADLP CC(C)[N@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453060328 310255089 /nfs/dbraw/zinc/25/50/89/310255089.db2.gz CBRAXNPQFAIJFS-KRWDZBQOSA-N 2 2 334.895 3.483 20 0 EGADLP CC(C)[N@@H+](C)CCCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453060328 310255090 /nfs/dbraw/zinc/25/50/90/310255090.db2.gz CBRAXNPQFAIJFS-KRWDZBQOSA-N 2 2 334.895 3.483 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453074473 310256155 /nfs/dbraw/zinc/25/61/55/310256155.db2.gz GVMQGAXQWYJJAN-NJDAHSKKSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453074473 310256156 /nfs/dbraw/zinc/25/61/56/310256156.db2.gz GVMQGAXQWYJJAN-NJDAHSKKSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000453079251 310256471 /nfs/dbraw/zinc/25/64/71/310256471.db2.gz ZDILGOJUEPWWCE-WIYYLYMNSA-N 2 2 338.499 3.470 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453106729 310258336 /nfs/dbraw/zinc/25/83/36/310258336.db2.gz ZSZALPHZUOBUPF-DOTOQJQBSA-N 2 2 338.904 3.197 20 0 EGADLP COCC[N@@H+](C)CC[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000453109403 310258470 /nfs/dbraw/zinc/25/84/70/310258470.db2.gz PKXBMAWTDMATFR-NEWSRXKRSA-N 2 2 342.487 3.188 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109766 310258554 /nfs/dbraw/zinc/25/85/54/310258554.db2.gz AQZNQURXPJTXLX-LPHOPBHVSA-N 2 2 330.497 3.344 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109766 310258555 /nfs/dbraw/zinc/25/85/55/310258555.db2.gz AQZNQURXPJTXLX-LPHOPBHVSA-N 2 2 330.497 3.344 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453227094 310265290 /nfs/dbraw/zinc/26/52/90/310265290.db2.gz AORWNDSAMXCPHI-YWZLYKJASA-N 2 2 339.414 3.266 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274507 310268561 /nfs/dbraw/zinc/26/85/61/310268561.db2.gz WIVGREMSWUTKAM-MLGOLLRUSA-N 2 2 343.298 3.417 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274507 310268562 /nfs/dbraw/zinc/26/85/62/310268562.db2.gz WIVGREMSWUTKAM-MLGOLLRUSA-N 2 2 343.298 3.417 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454215533 310297690 /nfs/dbraw/zinc/29/76/90/310297690.db2.gz NVAYNIDWRGPZMW-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC000454215533 310297691 /nfs/dbraw/zinc/29/76/91/310297691.db2.gz NVAYNIDWRGPZMW-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454488333 310312516 /nfs/dbraw/zinc/31/25/16/310312516.db2.gz YHQMRKXHTRNHHJ-SFHVURJKSA-N 2 2 332.492 3.152 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454488333 310312517 /nfs/dbraw/zinc/31/25/17/310312517.db2.gz YHQMRKXHTRNHHJ-SFHVURJKSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c[nH+]1 ZINC000454631886 310321143 /nfs/dbraw/zinc/32/11/43/310321143.db2.gz OKBNLTMYGFAZPD-IFXJQAMLSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c(C)[nH+]1 ZINC000455468341 310362052 /nfs/dbraw/zinc/36/20/52/310362052.db2.gz BFKAHFNXLMXTRW-UHFFFAOYSA-N 2 2 340.471 3.433 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C)[nH+]1 ZINC000455488958 310363431 /nfs/dbraw/zinc/36/34/31/310363431.db2.gz VDIVWMUTXDUVSW-QGZVFWFLSA-N 2 2 326.444 3.431 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c[nH+]1 ZINC000458751693 310519190 /nfs/dbraw/zinc/51/91/90/310519190.db2.gz AUOVRKLFQXZWJB-VQIMIIECSA-N 2 2 340.471 3.189 20 0 EGADLP C[C@@H](CCCc1cccnc1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000459651185 310566328 /nfs/dbraw/zinc/56/63/28/310566328.db2.gz OQUOWLJQGPGQAU-SFHVURJKSA-N 2 2 338.499 3.442 20 0 EGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000484124317 310962336 /nfs/dbraw/zinc/96/23/36/310962336.db2.gz BPBKRCWRWKQXSI-ZWKOTPCHSA-N 2 2 334.504 3.340 20 0 EGADLP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000486974449 311005012 /nfs/dbraw/zinc/00/50/12/311005012.db2.gz WZVBVWKTHSRCHF-DNVCBOLYSA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000486974449 311005014 /nfs/dbraw/zinc/00/50/14/311005014.db2.gz WZVBVWKTHSRCHF-DNVCBOLYSA-N 2 2 336.483 3.407 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]C/C=C/c3ccncc3)CC2)cc1 ZINC000486990530 311006038 /nfs/dbraw/zinc/00/60/38/311006038.db2.gz XKZMMQPKCXAXPI-OWOJBTEDSA-N 2 2 325.431 3.488 20 0 EGADLP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000486991026 311006062 /nfs/dbraw/zinc/00/60/62/311006062.db2.gz SGXYVRANXFKELE-UHFFFAOYSA-N 2 2 338.377 3.281 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc(Cl)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000487314241 311020140 /nfs/dbraw/zinc/02/01/40/311020140.db2.gz CYVDHLYIXNTTHG-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc(Cl)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000487314241 311020142 /nfs/dbraw/zinc/02/01/42/311020142.db2.gz CYVDHLYIXNTTHG-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000489315949 311099696 /nfs/dbraw/zinc/09/96/96/311099696.db2.gz DXOINRKZVYQJCQ-IBGZPJMESA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000489315949 311099697 /nfs/dbraw/zinc/09/96/97/311099697.db2.gz DXOINRKZVYQJCQ-IBGZPJMESA-N 2 2 339.439 3.286 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489935621 311126090 /nfs/dbraw/zinc/12/60/90/311126090.db2.gz PIAKSVFKKRLOAA-YUXAGFNASA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489935621 311126091 /nfs/dbraw/zinc/12/60/91/311126091.db2.gz PIAKSVFKKRLOAA-YUXAGFNASA-N 2 2 338.495 3.497 20 0 EGADLP O=C(/C=C\c1c(F)cccc1F)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491858737 311192947 /nfs/dbraw/zinc/19/29/47/311192947.db2.gz ITBNZWYSFLGMFQ-PLNGDYQASA-N 2 2 326.306 3.197 20 0 EGADLP CCOC(=O)N1CCC([NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000492138712 311220539 /nfs/dbraw/zinc/22/05/39/311220539.db2.gz XFAFHJPKAXNVED-QFBILLFUSA-N 2 2 347.503 3.197 20 0 EGADLP CCOC(=O)N1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000492138711 311220554 /nfs/dbraw/zinc/22/05/54/311220554.db2.gz XFAFHJPKAXNVED-LPHOPBHVSA-N 2 2 347.503 3.197 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339962 311361968 /nfs/dbraw/zinc/36/19/68/311361968.db2.gz YEGNZAMQPUKULV-RHSMWYFYSA-N 2 2 333.476 3.116 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339962 311361969 /nfs/dbraw/zinc/36/19/69/311361969.db2.gz YEGNZAMQPUKULV-RHSMWYFYSA-N 2 2 333.476 3.116 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493480215 311382968 /nfs/dbraw/zinc/38/29/68/311382968.db2.gz FPWRQWFNEBXKJT-MDZDMXLPSA-N 2 2 338.455 3.115 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494428104 311477289 /nfs/dbraw/zinc/47/72/89/311477289.db2.gz VIJOJRMYJHFOTD-KRWDZBQOSA-N 2 2 335.455 3.297 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)cs1 ZINC000494787234 311511848 /nfs/dbraw/zinc/51/18/48/311511848.db2.gz ILFVXZCNOYZCNA-GXSJLCMTSA-N 2 2 326.263 3.373 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000496433579 311711928 /nfs/dbraw/zinc/71/19/28/311711928.db2.gz TXWDMFWJKYSRPT-CABCVRRESA-N 2 2 348.491 3.145 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)c[nH+]1 ZINC000496832445 311771851 /nfs/dbraw/zinc/77/18/51/311771851.db2.gz YJWRLVKPWVEIQZ-QGZVFWFLSA-N 2 2 333.476 3.216 20 0 EGADLP FC(F)(F)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCC1 ZINC000505768184 312033726 /nfs/dbraw/zinc/03/37/26/312033726.db2.gz XMZUIGCBBFISLG-UHFFFAOYSA-N 2 2 348.332 3.355 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccccc3OC(C)C)CC2)c1 ZINC000510537406 312143105 /nfs/dbraw/zinc/14/31/05/312143105.db2.gz HSOUBRNJOXTDRC-UHFFFAOYSA-N 2 2 325.456 3.499 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670359 312146210 /nfs/dbraw/zinc/14/62/10/312146210.db2.gz XDLRPWCFNOORDN-PBHICJAKSA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670359 312146212 /nfs/dbraw/zinc/14/62/12/312146212.db2.gz XDLRPWCFNOORDN-PBHICJAKSA-N 2 2 344.421 3.337 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631409 312191183 /nfs/dbraw/zinc/19/11/83/312191183.db2.gz QRNHAKMSLHHXBY-QHAWAJNXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512631409 312191185 /nfs/dbraw/zinc/19/11/85/312191185.db2.gz QRNHAKMSLHHXBY-QHAWAJNXSA-N 3 2 329.532 3.219 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000514009232 312222143 /nfs/dbraw/zinc/22/21/43/312222143.db2.gz BCNPWCXERQZDND-KRWDZBQOSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000514009232 312222145 /nfs/dbraw/zinc/22/21/45/312222145.db2.gz BCNPWCXERQZDND-KRWDZBQOSA-N 2 2 345.531 3.231 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000514795361 312246242 /nfs/dbraw/zinc/24/62/42/312246242.db2.gz KWGOBYSGTFTKON-HZPDHXFCSA-N 2 2 330.394 3.059 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000514795361 312246244 /nfs/dbraw/zinc/24/62/44/312246244.db2.gz KWGOBYSGTFTKON-HZPDHXFCSA-N 2 2 330.394 3.059 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000520610349 312513439 /nfs/dbraw/zinc/51/34/39/312513439.db2.gz VTSFPIWGIUQPAR-MRXNPFEDSA-N 2 2 330.476 3.126 20 0 EGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000520810223 312521314 /nfs/dbraw/zinc/52/13/14/312521314.db2.gz JDJUAFINFYKBSA-CIVGIRDPSA-N 2 2 337.423 3.120 20 0 EGADLP COc1ccc[nH+]c1NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000527890838 312966840 /nfs/dbraw/zinc/96/68/40/312966840.db2.gz JOAWYPYOWJJVHK-UHFFFAOYSA-N 2 2 330.432 3.019 20 0 EGADLP Fc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000529522885 313342318 /nfs/dbraw/zinc/34/23/18/313342318.db2.gz JCMOFCCFXPPMCA-UHFFFAOYSA-N 2 2 344.833 3.162 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(C(F)(F)F)c1 ZINC000529567714 313357271 /nfs/dbraw/zinc/35/72/71/313357271.db2.gz NYESAGBLDLQJMT-CYBMUJFWSA-N 2 2 339.361 3.437 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(C(F)(F)F)c1 ZINC000529567714 313357274 /nfs/dbraw/zinc/35/72/74/313357274.db2.gz NYESAGBLDLQJMT-CYBMUJFWSA-N 2 2 339.361 3.437 20 0 EGADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)NCCC1CCCCC1 ZINC000535572621 314053348 /nfs/dbraw/zinc/05/33/48/314053348.db2.gz IKKQAARPEUOVJH-UHFFFAOYSA-N 2 2 344.503 3.045 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000537959245 314220564 /nfs/dbraw/zinc/22/05/64/314220564.db2.gz YWPLWHKXFPWPSL-UWJYYQICSA-N 2 2 339.483 3.399 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000537959245 314220569 /nfs/dbraw/zinc/22/05/69/314220569.db2.gz YWPLWHKXFPWPSL-UWJYYQICSA-N 2 2 339.483 3.399 20 0 EGADLP CCc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000539526459 314319437 /nfs/dbraw/zinc/31/94/37/314319437.db2.gz OKAUAGPPDHWANO-UHFFFAOYSA-N 2 2 338.499 3.208 20 0 EGADLP c1cnn(-c2ccc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)cc2)c1 ZINC000542509463 314553075 /nfs/dbraw/zinc/55/30/75/314553075.db2.gz BOVPADFYDXZQKY-UHFFFAOYSA-N 2 2 333.439 3.344 20 0 EGADLP C[C@H]1CCC[N@H+](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549095768 315074582 /nfs/dbraw/zinc/07/45/82/315074582.db2.gz XNDHWPCELJYLHW-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000549095768 315074586 /nfs/dbraw/zinc/07/45/86/315074586.db2.gz XNDHWPCELJYLHW-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238080 315121443 /nfs/dbraw/zinc/12/14/43/315121443.db2.gz PXCRQJQWPVQNFU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238080 315121445 /nfs/dbraw/zinc/12/14/45/315121445.db2.gz PXCRQJQWPVQNFU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238080 315121447 /nfs/dbraw/zinc/12/14/47/315121447.db2.gz PXCRQJQWPVQNFU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)C1 ZINC000550238080 315121449 /nfs/dbraw/zinc/12/14/49/315121449.db2.gz PXCRQJQWPVQNFU-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000550818606 315135183 /nfs/dbraw/zinc/13/51/83/315135183.db2.gz OLACERPCYWTDHD-GFOJFJKKSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@H+]1Cc1ccccc1 ZINC000550818606 315135185 /nfs/dbraw/zinc/13/51/85/315135185.db2.gz OLACERPCYWTDHD-GFOJFJKKSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)n1cc[nH+]c1 ZINC000560338460 315675587 /nfs/dbraw/zinc/67/55/87/315675587.db2.gz QDUZWZNHUNJZJU-KRWDZBQOSA-N 2 2 332.492 3.139 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000563759753 316065038 /nfs/dbraw/zinc/06/50/38/316065038.db2.gz UEVSXAHDIBVAND-AZUAARDMSA-N 3 2 326.488 3.306 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000563759753 316065042 /nfs/dbraw/zinc/06/50/42/316065042.db2.gz UEVSXAHDIBVAND-AZUAARDMSA-N 3 2 326.488 3.306 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)cc2[nH+]c1C1CC1 ZINC000563960459 316097324 /nfs/dbraw/zinc/09/73/24/316097324.db2.gz RZUQQOMGAALLJB-LJQANCHMSA-N 2 2 346.434 3.276 20 0 EGADLP C[C@H](CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)n1cc[nH+]c1 ZINC000564573750 316169444 /nfs/dbraw/zinc/16/94/44/316169444.db2.gz AVMBEUMDNYGODM-QGZVFWFLSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)n1cc[nH+]c1 ZINC000564573750 316169447 /nfs/dbraw/zinc/16/94/47/316169447.db2.gz AVMBEUMDNYGODM-QGZVFWFLSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000564844007 316215786 /nfs/dbraw/zinc/21/57/86/316215786.db2.gz HLLKCEOBQGHGFM-UTKZUKDTSA-N 2 2 335.451 3.186 20 0 EGADLP C[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072099 316261191 /nfs/dbraw/zinc/26/11/91/316261191.db2.gz ZRXOPVXTEGUCGB-UONOGXRCSA-N 2 2 347.488 3.161 20 0 EGADLP C[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072099 316261194 /nfs/dbraw/zinc/26/11/94/316261194.db2.gz ZRXOPVXTEGUCGB-UONOGXRCSA-N 2 2 347.488 3.161 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000565393300 316317980 /nfs/dbraw/zinc/31/79/80/316317980.db2.gz YFYMRDXIAHWSBT-QGZVFWFLSA-N 2 2 341.459 3.253 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000565393300 316317982 /nfs/dbraw/zinc/31/79/82/316317982.db2.gz YFYMRDXIAHWSBT-QGZVFWFLSA-N 2 2 341.459 3.253 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475691 316329280 /nfs/dbraw/zinc/32/92/80/316329280.db2.gz COJWTSVJKDTPBG-GOSISDBHSA-N 2 2 342.508 3.383 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1)C1CC1 ZINC000565475691 316329281 /nfs/dbraw/zinc/32/92/81/316329281.db2.gz COJWTSVJKDTPBG-GOSISDBHSA-N 2 2 342.508 3.383 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc12 ZINC000565674097 316355213 /nfs/dbraw/zinc/35/52/13/316355213.db2.gz GOOBHSIRNCMYFD-APWZRJJASA-N 2 2 349.482 3.202 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000565849678 316378684 /nfs/dbraw/zinc/37/86/84/316378684.db2.gz VGPHLLNSOLBKGV-BZUAXINKSA-N 2 2 340.458 3.375 20 0 EGADLP CC1(C)CCC(O)(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000566500618 316487365 /nfs/dbraw/zinc/48/73/65/316487365.db2.gz OQOQVIRIWQNRJN-UHFFFAOYSA-N 2 2 336.442 3.324 20 0 EGADLP Cc1sc2[nH]c(C[NH2+][C@@H](C[NH3+])C3CCCCC3)nc(=O)c2c1C ZINC000567365216 316606907 /nfs/dbraw/zinc/60/69/07/316606907.db2.gz QEZZJWUEJZTYTN-ZDUSSCGKSA-N 2 2 334.489 3.011 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000567724053 316663790 /nfs/dbraw/zinc/66/37/90/316663790.db2.gz WIPGCMRFYCQUSN-NWDGAFQWSA-N 2 2 332.366 3.072 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000568998664 316852905 /nfs/dbraw/zinc/85/29/05/316852905.db2.gz JREYBVJVFJXCSP-RHSMWYFYSA-N 2 2 326.444 3.287 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000570817772 317113295 /nfs/dbraw/zinc/11/32/95/317113295.db2.gz VLNDQWNYZYNLFT-RNQOJCNYSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000570817772 317113299 /nfs/dbraw/zinc/11/32/99/317113299.db2.gz VLNDQWNYZYNLFT-RNQOJCNYSA-N 2 2 344.499 3.361 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000570886375 317120885 /nfs/dbraw/zinc/12/08/85/317120885.db2.gz VGSJYYSAAYQSIU-INIZCTEOSA-N 2 2 330.394 3.348 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])N1CCCCC1 ZINC000570918499 317126436 /nfs/dbraw/zinc/12/64/36/317126436.db2.gz RWNALQBVYQTBFL-AQNXPRMDSA-N 2 2 345.531 3.472 20 0 EGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCCCC[NH2+]1 ZINC000570928572 317128693 /nfs/dbraw/zinc/12/86/93/317128693.db2.gz PPNRCYYNGSUWJY-GOSISDBHSA-N 2 2 336.439 3.073 20 0 EGADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571774002 317246663 /nfs/dbraw/zinc/24/66/63/317246663.db2.gz FISKXMAXSWZSQV-QGZVFWFLSA-N 2 2 348.878 3.044 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000572531220 317352627 /nfs/dbraw/zinc/35/26/27/317352627.db2.gz JEAXPLFIUNFXPR-IBGZPJMESA-N 2 2 336.907 3.445 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261745382 455939910 /nfs/dbraw/zinc/93/99/10/455939910.db2.gz KUSHLNGUSBPNEU-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261745382 455939919 /nfs/dbraw/zinc/93/99/19/455939919.db2.gz KUSHLNGUSBPNEU-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722912 456052046 /nfs/dbraw/zinc/05/20/46/456052046.db2.gz FVBXCMVKMRURME-RHSMWYFYSA-N 2 2 327.875 3.012 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722912 456052050 /nfs/dbraw/zinc/05/20/50/456052050.db2.gz FVBXCMVKMRURME-RHSMWYFYSA-N 2 2 327.875 3.012 20 0 EGADLP COc1ccc(Br)c(C[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000227844657 456118948 /nfs/dbraw/zinc/11/89/48/456118948.db2.gz COUXGNGVYQDACN-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP COc1ccc(Br)c(C[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000227844657 456118955 /nfs/dbraw/zinc/11/89/55/456118955.db2.gz COUXGNGVYQDACN-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP CCC(O)(CC)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000273040772 456156388 /nfs/dbraw/zinc/15/63/88/456156388.db2.gz DVRWCZYXBBIQLI-UHFFFAOYSA-N 2 2 340.265 3.046 20 0 EGADLP Cc1cccn2c(C[NH2+]CCCC(=O)N3Cc4ccccc4C3)c[nH+]c12 ZINC000174381563 323306020 /nfs/dbraw/zinc/30/60/20/323306020.db2.gz DNHCGWBZGPJXMR-UHFFFAOYSA-N 2 2 348.450 3.055 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ncc(Br)s1 ZINC000179207774 323374915 /nfs/dbraw/zinc/37/49/15/323374915.db2.gz SBXHMBXPYSYVRX-SNVBAGLBSA-N 2 2 344.322 3.431 20 0 EGADLP Cn1c[nH+]cc1Cc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000350399670 324074658 /nfs/dbraw/zinc/07/46/58/324074658.db2.gz BRELYAOASLPXNO-UHFFFAOYSA-N 2 2 337.427 3.047 20 0 EGADLP c1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522592 324275985 /nfs/dbraw/zinc/27/59/85/324275985.db2.gz UBYILOPVRKAFEK-UXHICEINSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522592 324275990 /nfs/dbraw/zinc/27/59/90/324275990.db2.gz UBYILOPVRKAFEK-UXHICEINSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522592 324275996 /nfs/dbraw/zinc/27/59/96/324275996.db2.gz UBYILOPVRKAFEK-UXHICEINSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccn12 ZINC000388522592 324276000 /nfs/dbraw/zinc/27/60/00/324276000.db2.gz UBYILOPVRKAFEK-UXHICEINSA-N 2 2 346.478 3.288 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccon1 ZINC000576923268 324706962 /nfs/dbraw/zinc/70/69/62/324706962.db2.gz NXVPLZSZOQFINS-WMLDXEAASA-N 2 2 327.428 3.313 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000578065131 324912384 /nfs/dbraw/zinc/91/23/84/324912384.db2.gz JUQBFAFZHYILBP-USNOLKROSA-N 2 2 326.484 3.432 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000580062297 325196917 /nfs/dbraw/zinc/19/69/17/325196917.db2.gz CDMDRQZRMNQQQN-BRWVUGGUSA-N 2 2 341.842 3.180 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)n1C ZINC000580066555 325198384 /nfs/dbraw/zinc/19/83/84/325198384.db2.gz WBHGQOYINPRISY-QGZVFWFLSA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)n1C ZINC000580066555 325198387 /nfs/dbraw/zinc/19/83/87/325198387.db2.gz WBHGQOYINPRISY-QGZVFWFLSA-N 2 2 330.451 3.222 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080304 325201445 /nfs/dbraw/zinc/20/14/45/325201445.db2.gz CBLMQMRGTWVYKQ-LSDHHAIUSA-N 2 2 331.847 3.345 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080304 325201448 /nfs/dbraw/zinc/20/14/48/325201448.db2.gz CBLMQMRGTWVYKQ-LSDHHAIUSA-N 2 2 331.847 3.345 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000580475796 325255597 /nfs/dbraw/zinc/25/55/97/325255597.db2.gz NJCMKRNDOKICPF-GOSISDBHSA-N 3 2 332.536 3.146 20 0 EGADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)oc2c1 ZINC000580709313 325286916 /nfs/dbraw/zinc/28/69/16/325286916.db2.gz OTRNESOBJDWWSL-CYBMUJFWSA-N 2 2 339.443 3.177 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979340 325316226 /nfs/dbraw/zinc/31/62/26/325316226.db2.gz OUXNSEXEBNXXCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979340 325316227 /nfs/dbraw/zinc/31/62/27/325316227.db2.gz OUXNSEXEBNXXCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000580979340 325316230 /nfs/dbraw/zinc/31/62/30/325316230.db2.gz OUXNSEXEBNXXCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000580979340 325316233 /nfs/dbraw/zinc/31/62/33/325316233.db2.gz OUXNSEXEBNXXCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP c1c[nH+]c(N2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)[nH]1 ZINC000581496595 325366263 /nfs/dbraw/zinc/36/62/63/325366263.db2.gz QDTDHLZZKOSCEN-UHFFFAOYSA-N 2 2 331.489 3.236 20 0 EGADLP [NH3+]C[C@H]1CN(c2ccc3c(Cl)c4c([nH+]c3c2)CCCC4)CCCO1 ZINC000583134974 325498125 /nfs/dbraw/zinc/49/81/25/325498125.db2.gz FTSXDTSONYTLPT-AWEZNQCLSA-N 2 2 345.874 3.321 20 0 EGADLP CC[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1[nH+]ccn1C ZINC000183079757 455224119 /nfs/dbraw/zinc/22/41/19/455224119.db2.gz KNAFCDXQVHDPCB-IBGZPJMESA-N 2 2 342.487 3.188 20 0 EGADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237841267 455225156 /nfs/dbraw/zinc/22/51/56/455225156.db2.gz COOUOANCUJFPMZ-CZUORRHYSA-N 2 2 345.830 3.385 20 0 EGADLP CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000157875663 455243320 /nfs/dbraw/zinc/24/33/20/455243320.db2.gz FAUUXZIDNUBADA-INIZCTEOSA-N 2 2 348.450 3.125 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000181308071 455316242 /nfs/dbraw/zinc/31/62/42/455316242.db2.gz KNFFNORHQSKLHR-SUNKGSAMSA-N 2 2 332.414 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181308071 455316245 /nfs/dbraw/zinc/31/62/45/455316245.db2.gz KNFFNORHQSKLHR-SUNKGSAMSA-N 2 2 332.414 3.196 20 0 EGADLP O=c1[nH]c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2ccc(Cl)cc12 ZINC000265445016 455326598 /nfs/dbraw/zinc/32/65/98/455326598.db2.gz AMDHLICDQOYTJS-UHFFFAOYSA-N 2 2 343.818 3.092 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c(Br)c1 ZINC000181389263 455326780 /nfs/dbraw/zinc/32/67/80/455326780.db2.gz QTQRVAKFPFOIRM-LBPRGKRZSA-N 2 2 338.249 3.395 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265480305 455332717 /nfs/dbraw/zinc/33/27/17/455332717.db2.gz KPDVGCLZHSMOFS-CYBMUJFWSA-N 2 2 330.407 3.064 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575268 455333595 /nfs/dbraw/zinc/33/35/95/455333595.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575268 455333600 /nfs/dbraw/zinc/33/36/00/455333600.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575268 455333605 /nfs/dbraw/zinc/33/36/05/455333605.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575268 455333608 /nfs/dbraw/zinc/33/36/08/455333608.db2.gz HPSHPEBCRNMBCB-VSKRKVRLSA-N 3 2 341.543 3.457 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245592650 455336649 /nfs/dbraw/zinc/33/66/49/455336649.db2.gz LWXWTDGEZPWVPW-SCTFDZSOSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245592650 455336654 /nfs/dbraw/zinc/33/66/54/455336654.db2.gz LWXWTDGEZPWVPW-SCTFDZSOSA-N 2 2 326.843 3.239 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000265508177 455336939 /nfs/dbraw/zinc/33/69/39/455336939.db2.gz QOMUHGPUNYPSKX-UHFFFAOYSA-N 2 2 332.835 3.190 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158926888 455337917 /nfs/dbraw/zinc/33/79/17/455337917.db2.gz SIDMMNREBCXDDE-APWZRJJASA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158926888 455337923 /nfs/dbraw/zinc/33/79/23/455337923.db2.gz SIDMMNREBCXDDE-APWZRJJASA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158926888 455337926 /nfs/dbraw/zinc/33/79/26/455337926.db2.gz SIDMMNREBCXDDE-APWZRJJASA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158926888 455337929 /nfs/dbraw/zinc/33/79/29/455337929.db2.gz SIDMMNREBCXDDE-APWZRJJASA-N 2 2 329.488 3.165 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245681772 455354689 /nfs/dbraw/zinc/35/46/89/455354689.db2.gz PDSKPGVXYNXSSG-JLSDUUJJSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245681772 455354694 /nfs/dbraw/zinc/35/46/94/455354694.db2.gz PDSKPGVXYNXSSG-JLSDUUJJSA-N 2 2 340.471 3.410 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517137 453881370 /nfs/dbraw/zinc/88/13/70/453881370.db2.gz WNCHKXMKBRPBBK-IRXDYDNUSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517137 453881374 /nfs/dbraw/zinc/88/13/74/453881374.db2.gz WNCHKXMKBRPBBK-IRXDYDNUSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517137 453881376 /nfs/dbraw/zinc/88/13/76/453881376.db2.gz WNCHKXMKBRPBBK-IRXDYDNUSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000081517137 453881379 /nfs/dbraw/zinc/88/13/79/453881379.db2.gz WNCHKXMKBRPBBK-IRXDYDNUSA-N 2 2 331.504 3.240 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081633570 453898902 /nfs/dbraw/zinc/89/89/02/453898902.db2.gz QYPWIDJGXQKWQD-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081633570 453898907 /nfs/dbraw/zinc/89/89/07/453898907.db2.gz QYPWIDJGXQKWQD-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000081633570 453898911 /nfs/dbraw/zinc/89/89/11/453898911.db2.gz QYPWIDJGXQKWQD-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000081633570 453898914 /nfs/dbraw/zinc/89/89/14/453898914.db2.gz QYPWIDJGXQKWQD-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP COc1cc2c(cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1)O[C@@H](C)C2 ZINC000067250201 453914629 /nfs/dbraw/zinc/91/46/29/453914629.db2.gz CINAIYHRIAPELS-HNNXBMFYSA-N 2 2 349.434 3.494 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)c2cccs2)n1-c1ccccc1 ZINC000084045997 453966333 /nfs/dbraw/zinc/96/63/33/453966333.db2.gz KQQYAUIMQQWZNO-SFHVURJKSA-N 2 2 327.453 3.240 20 0 EGADLP Cc1ccc([C@H](CNC(=O)c2ccc3[nH+]ccn3c2)[NH+]2CCCC2)cc1 ZINC000068323086 454017488 /nfs/dbraw/zinc/01/74/88/454017488.db2.gz AWAURJYVRFLWNP-IBGZPJMESA-N 2 2 348.450 3.210 20 0 EGADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000085583981 454034019 /nfs/dbraw/zinc/03/40/19/454034019.db2.gz KLJMVDHUNKYADE-UHFFFAOYSA-N 2 2 343.475 3.139 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000088696601 454116465 /nfs/dbraw/zinc/11/64/65/454116465.db2.gz JYKJEJXYNQZHAV-YJBOKZPZSA-N 2 2 337.458 3.141 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000088696601 454116469 /nfs/dbraw/zinc/11/64/69/454116469.db2.gz JYKJEJXYNQZHAV-YJBOKZPZSA-N 2 2 337.458 3.141 20 0 EGADLP c1coc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)c1 ZINC000044953974 454129307 /nfs/dbraw/zinc/12/93/07/454129307.db2.gz BZQIHECVJQKOGI-UHFFFAOYSA-N 2 2 344.459 3.418 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c2cccc(F)c2[nH+]1 ZINC000089603256 454166783 /nfs/dbraw/zinc/16/67/83/454166783.db2.gz DKMVACQXIABQBA-HNNXBMFYSA-N 2 2 329.419 3.348 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)c3cccnc3)c2cc1C ZINC000119362344 454189604 /nfs/dbraw/zinc/18/96/04/454189604.db2.gz OLKQRBZBXHDYCT-WMZOPIPTSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)c3cccnc3)c2cc1C ZINC000119362344 454189606 /nfs/dbraw/zinc/18/96/06/454189606.db2.gz OLKQRBZBXHDYCT-WMZOPIPTSA-N 2 2 338.455 3.102 20 0 EGADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078404331 454248765 /nfs/dbraw/zinc/24/87/65/454248765.db2.gz OYUOLDPTYMAAIB-AWEZNQCLSA-N 2 2 331.847 3.047 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCCC2 ZINC000089986153 454254109 /nfs/dbraw/zinc/25/41/09/454254109.db2.gz YSNZYLOPANQRJA-WOJBJXKFSA-N 2 2 343.515 3.373 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)s1 ZINC000090003464 454260897 /nfs/dbraw/zinc/26/08/97/454260897.db2.gz QNEDBXSIOXZFND-AWEZNQCLSA-N 2 2 347.484 3.031 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)s1 ZINC000090003464 454260898 /nfs/dbraw/zinc/26/08/98/454260898.db2.gz QNEDBXSIOXZFND-AWEZNQCLSA-N 2 2 347.484 3.031 20 0 EGADLP CN(c1ccccc1C[N@H+](C)Cc1cscn1)C1CC[NH+](C)CC1 ZINC000120238626 454277288 /nfs/dbraw/zinc/27/72/88/454277288.db2.gz WKGJHAWOYVLPBV-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP c1ccc(CCOCCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131740513 454281321 /nfs/dbraw/zinc/28/13/21/454281321.db2.gz BNZXABRSHRKPCX-HXUWFJFHSA-N 2 2 326.440 3.184 20 0 EGADLP COc1cccc2c(N3CC[NH+](Cc4ccncc4)CC3)cc(C)[nH+]c12 ZINC000120306557 454285428 /nfs/dbraw/zinc/28/54/28/454285428.db2.gz FGDQQTGMJVSZMO-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000090176593 454289671 /nfs/dbraw/zinc/28/96/71/454289671.db2.gz YXAAVBJILYFIIH-FQEVSTJZSA-N 2 2 343.446 3.162 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131872542 454294423 /nfs/dbraw/zinc/29/44/23/454294423.db2.gz MZNAYLXVKMQIMN-MRXNPFEDSA-N 2 2 345.830 3.135 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131872542 454294427 /nfs/dbraw/zinc/29/44/27/454294427.db2.gz MZNAYLXVKMQIMN-MRXNPFEDSA-N 2 2 345.830 3.135 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@@H+]1C1CC1 ZINC000120516299 454313871 /nfs/dbraw/zinc/31/38/71/454313871.db2.gz DNWKFVFFXVQMAI-TZMCWYRMSA-N 2 2 328.378 3.343 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C[N@H+]1C1CC1 ZINC000120516299 454313878 /nfs/dbraw/zinc/31/38/78/454313878.db2.gz DNWKFVFFXVQMAI-TZMCWYRMSA-N 2 2 328.378 3.343 20 0 EGADLP CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000132259648 454325007 /nfs/dbraw/zinc/32/50/07/454325007.db2.gz WSGZYCUCXZAENN-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)n1 ZINC000090667279 454334092 /nfs/dbraw/zinc/33/40/92/454334092.db2.gz PKRWLQCZNBLIMN-HZPDHXFCSA-N 2 2 339.487 3.365 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858109 454353421 /nfs/dbraw/zinc/35/34/21/454353421.db2.gz UVNBKHZLEBKKES-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858109 454353428 /nfs/dbraw/zinc/35/34/28/454353428.db2.gz UVNBKHZLEBKKES-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858109 454353431 /nfs/dbraw/zinc/35/34/31/454353431.db2.gz UVNBKHZLEBKKES-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000072858109 454353436 /nfs/dbraw/zinc/35/34/36/454353436.db2.gz UVNBKHZLEBKKES-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000091632098 454453133 /nfs/dbraw/zinc/45/31/33/454453133.db2.gz OQSCZLBNMPCVQG-ZMSDIMECSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000091632098 454453136 /nfs/dbraw/zinc/45/31/36/454453136.db2.gz OQSCZLBNMPCVQG-ZMSDIMECSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000091632098 454453142 /nfs/dbraw/zinc/45/31/42/454453142.db2.gz OQSCZLBNMPCVQG-ZMSDIMECSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000091632098 454453145 /nfs/dbraw/zinc/45/31/45/454453145.db2.gz OQSCZLBNMPCVQG-ZMSDIMECSA-N 2 2 346.471 3.384 20 0 EGADLP CCn1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587709 454590683 /nfs/dbraw/zinc/59/06/83/454590683.db2.gz CXQJTOPLAFKOAI-LJQANCHMSA-N 2 2 332.536 3.464 20 0 EGADLP CCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587709 454590689 /nfs/dbraw/zinc/59/06/89/454590689.db2.gz CXQJTOPLAFKOAI-LJQANCHMSA-N 2 2 332.536 3.464 20 0 EGADLP CC(C)c1ccsc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797069 454599917 /nfs/dbraw/zinc/59/99/17/454599917.db2.gz GTEXTLRLNAKVII-UHFFFAOYSA-N 2 2 349.544 3.160 20 0 EGADLP CC[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)[N@H+]1CCc2ccccc2C1 ZINC000123131936 454605895 /nfs/dbraw/zinc/60/58/95/454605895.db2.gz PUGNHVATRVPTJK-AZUAARDMSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000123538914 454649085 /nfs/dbraw/zinc/64/90/85/454649085.db2.gz SYQBFVZNHBCYLS-HNNXBMFYSA-N 2 2 335.398 3.476 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000123538914 454649093 /nfs/dbraw/zinc/64/90/93/454649093.db2.gz SYQBFVZNHBCYLS-HNNXBMFYSA-N 2 2 335.398 3.476 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000080933709 454650163 /nfs/dbraw/zinc/65/01/63/454650163.db2.gz UVZXQUKCYWQCMG-CYBMUJFWSA-N 2 2 333.819 3.214 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000080933709 454650170 /nfs/dbraw/zinc/65/01/70/454650170.db2.gz UVZXQUKCYWQCMG-CYBMUJFWSA-N 2 2 333.819 3.214 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080933780 454650585 /nfs/dbraw/zinc/65/05/85/454650585.db2.gz HGAULXYFYYCQME-CABCVRRESA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080933780 454650591 /nfs/dbraw/zinc/65/05/91/454650591.db2.gz HGAULXYFYYCQME-CABCVRRESA-N 2 2 342.443 3.015 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960312 454657582 /nfs/dbraw/zinc/65/75/82/454657582.db2.gz QWOQUFPNCSVNST-RYUDHWBXSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960312 454657588 /nfs/dbraw/zinc/65/75/88/454657588.db2.gz QWOQUFPNCSVNST-RYUDHWBXSA-N 2 2 329.429 3.462 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000105896433 454666893 /nfs/dbraw/zinc/66/68/93/454666893.db2.gz CUPKPXMMBXXVPO-QGZVFWFLSA-N 2 2 340.471 3.338 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000105896433 454666899 /nfs/dbraw/zinc/66/68/99/454666899.db2.gz CUPKPXMMBXXVPO-QGZVFWFLSA-N 2 2 340.471 3.338 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165326 454682499 /nfs/dbraw/zinc/68/24/99/454682499.db2.gz GMLLAKYKXQVZCA-QGZVFWFLSA-N 2 2 348.535 3.006 20 0 EGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000124221825 454706752 /nfs/dbraw/zinc/70/67/52/454706752.db2.gz BANWKWYQQRREDZ-LBPRGKRZSA-N 2 2 347.286 3.202 20 0 EGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3nccs3)cc2)CC1 ZINC000093398784 454711064 /nfs/dbraw/zinc/71/10/64/454711064.db2.gz KWTVGCJNWCXJGF-INIZCTEOSA-N 2 2 344.528 3.131 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3nccs3)cc2)CC1 ZINC000093398784 454711070 /nfs/dbraw/zinc/71/10/70/454711070.db2.gz KWTVGCJNWCXJGF-INIZCTEOSA-N 2 2 344.528 3.131 20 0 EGADLP C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136082941 454719422 /nfs/dbraw/zinc/71/94/22/454719422.db2.gz OPPZPQDXVCLISV-ICSRJNTNSA-N 2 2 327.472 3.415 20 0 EGADLP C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136082941 454719425 /nfs/dbraw/zinc/71/94/25/454719425.db2.gz OPPZPQDXVCLISV-ICSRJNTNSA-N 2 2 327.472 3.415 20 0 EGADLP Cn1c(CCC[NH2+]Cc2cnn(C(C)(C)C)c2)[nH+]c2ccccc21 ZINC000124373829 454725066 /nfs/dbraw/zinc/72/50/66/454725066.db2.gz MWISGXIHXMXFMB-UHFFFAOYSA-N 2 2 325.460 3.247 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC)c1OC ZINC000093683490 454729381 /nfs/dbraw/zinc/72/93/81/454729381.db2.gz ICNHXURLEFNKJD-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(OC)c1OC ZINC000093683490 454729384 /nfs/dbraw/zinc/72/93/84/454729384.db2.gz ICNHXURLEFNKJD-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCCC1)CC(=O)Nc1c(C)cccc1C ZINC000161875448 454731934 /nfs/dbraw/zinc/73/19/34/454731934.db2.gz IAHCDWDWGQMXMQ-UHFFFAOYSA-N 2 2 331.504 3.440 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCCC1)CC(=O)Nc1c(C)cccc1C ZINC000161875448 454731937 /nfs/dbraw/zinc/73/19/37/454731937.db2.gz IAHCDWDWGQMXMQ-UHFFFAOYSA-N 2 2 331.504 3.440 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000093865929 454741474 /nfs/dbraw/zinc/74/14/74/454741474.db2.gz ZBDCZOXABBLSSU-QGZVFWFLSA-N 2 2 328.412 3.142 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000093865929 454741479 /nfs/dbraw/zinc/74/14/79/454741479.db2.gz ZBDCZOXABBLSSU-QGZVFWFLSA-N 2 2 328.412 3.142 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623633956 460651678 /nfs/dbraw/zinc/65/16/78/460651678.db2.gz LAWARPHIAGPSSH-LJQANCHMSA-N 2 2 326.488 3.040 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623633956 460651684 /nfs/dbraw/zinc/65/16/84/460651684.db2.gz LAWARPHIAGPSSH-LJQANCHMSA-N 2 2 326.488 3.040 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cncc(F)c1 ZINC000124689894 454760800 /nfs/dbraw/zinc/76/08/00/454760800.db2.gz XOGTUAUJQSPZKV-QGZVFWFLSA-N 2 2 342.462 3.084 20 0 EGADLP C[C@H](C[NH2+][C@H]1C[C@H](C)Sc2sccc21)C[NH+]1CCOCC1 ZINC000153189785 454768757 /nfs/dbraw/zinc/76/87/57/454768757.db2.gz OJCIZUXACHOLIR-IPYPFGDCSA-N 2 2 326.531 3.231 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036453 454814991 /nfs/dbraw/zinc/81/49/91/454814991.db2.gz YQRGMEMJQVDGCM-ICSRJNTNSA-N 2 2 337.467 3.194 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036453 454814993 /nfs/dbraw/zinc/81/49/93/454814993.db2.gz YQRGMEMJQVDGCM-ICSRJNTNSA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036453 454814997 /nfs/dbraw/zinc/81/49/97/454814997.db2.gz YQRGMEMJQVDGCM-ICSRJNTNSA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc4ccccc4c3)CC[C@@H]21 ZINC000140036453 454814998 /nfs/dbraw/zinc/81/49/98/454814998.db2.gz YQRGMEMJQVDGCM-ICSRJNTNSA-N 2 2 337.467 3.194 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438232 454847577 /nfs/dbraw/zinc/84/75/77/454847577.db2.gz NWZVRDKGWBTVMW-RDJZCZTQSA-N 2 2 341.455 3.455 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)ccn2)cc1 ZINC000163438232 454847580 /nfs/dbraw/zinc/84/75/80/454847580.db2.gz NWZVRDKGWBTVMW-RDJZCZTQSA-N 2 2 341.455 3.455 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000125863569 454852829 /nfs/dbraw/zinc/85/28/29/454852829.db2.gz HQYBTWWUEMDCFA-LBPRGKRZSA-N 2 2 347.272 3.207 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000125863569 454852832 /nfs/dbraw/zinc/85/28/32/454852832.db2.gz HQYBTWWUEMDCFA-LBPRGKRZSA-N 2 2 347.272 3.207 20 0 EGADLP O=C(NCCCCn1cc[nH+]c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000145956441 454855693 /nfs/dbraw/zinc/85/56/93/454855693.db2.gz IXGUTGQRNXGMTG-UHFFFAOYSA-N 2 2 340.471 3.079 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nccn1C ZINC000182242084 455470019 /nfs/dbraw/zinc/47/00/19/455470019.db2.gz MRPLWHIATZDSEV-AWEZNQCLSA-N 2 2 332.879 3.389 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112627091 454893183 /nfs/dbraw/zinc/89/31/83/454893183.db2.gz HMBOKRJXZYVVFU-MRXNPFEDSA-N 2 2 325.412 3.088 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112627091 454893184 /nfs/dbraw/zinc/89/31/84/454893184.db2.gz HMBOKRJXZYVVFU-MRXNPFEDSA-N 2 2 325.412 3.088 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)C[C@@H]4CCC[NH2+]4)cc3)[nH+]c12 ZINC000165504155 454900457 /nfs/dbraw/zinc/90/04/57/454900457.db2.gz FRBSAZCZDYCAAK-KRWDZBQOSA-N 2 2 334.423 3.390 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(CC)noc2CC)[C@@H](C)C1 ZINC000166953177 454917777 /nfs/dbraw/zinc/91/77/77/454917777.db2.gz OBQIVSOVMJJELK-YJBOKZPZSA-N 2 2 337.508 3.026 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(CC)noc2CC)[C@@H](C)C1 ZINC000166953177 454917782 /nfs/dbraw/zinc/91/77/82/454917782.db2.gz OBQIVSOVMJJELK-YJBOKZPZSA-N 2 2 337.508 3.026 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000151121523 454940948 /nfs/dbraw/zinc/94/09/48/454940948.db2.gz AVTQVXPDJICUPS-HOCLYGCPSA-N 2 2 345.466 3.097 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000151121523 454940951 /nfs/dbraw/zinc/94/09/51/454940951.db2.gz AVTQVXPDJICUPS-HOCLYGCPSA-N 2 2 345.466 3.097 20 0 EGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC1=CCCOC1 ZINC000127272332 454949874 /nfs/dbraw/zinc/94/98/74/454949874.db2.gz HIXYZBPBAJUPPE-HXUWFJFHSA-N 2 2 328.500 3.396 20 0 EGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC1=CCCOC1 ZINC000127272332 454949877 /nfs/dbraw/zinc/94/98/77/454949877.db2.gz HIXYZBPBAJUPPE-HXUWFJFHSA-N 2 2 328.500 3.396 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178698991 454968148 /nfs/dbraw/zinc/96/81/48/454968148.db2.gz SZSUAMHBNUIQAF-PXNSSMCTSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178698991 454968151 /nfs/dbraw/zinc/96/81/51/454968151.db2.gz SZSUAMHBNUIQAF-PXNSSMCTSA-N 3 2 326.488 3.082 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000155358889 454991242 /nfs/dbraw/zinc/99/12/42/454991242.db2.gz PNDJGGKZORJDDE-NVXWUHKLSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000155358889 454991247 /nfs/dbraw/zinc/99/12/47/454991247.db2.gz PNDJGGKZORJDDE-NVXWUHKLSA-N 2 2 343.471 3.026 20 0 EGADLP CC[C@H]([NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000155663473 455028474 /nfs/dbraw/zinc/02/84/74/455028474.db2.gz FURMDPPQMFYWGX-IBGZPJMESA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@H]([NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000155663473 455028479 /nfs/dbraw/zinc/02/84/79/455028479.db2.gz FURMDPPQMFYWGX-IBGZPJMESA-N 2 2 326.488 3.298 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179482255 455050677 /nfs/dbraw/zinc/05/06/77/455050677.db2.gz NERDVHZHBKTPJG-YJBOKZPZSA-N 2 2 327.428 3.048 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cc2)c[nH+]1 ZINC000152219613 455088693 /nfs/dbraw/zinc/08/86/93/455088693.db2.gz HQBNQNXKZSZIOW-KRWDZBQOSA-N 2 2 348.454 3.247 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cc2)c[nH+]1 ZINC000152219613 455088696 /nfs/dbraw/zinc/08/86/96/455088696.db2.gz HQBNQNXKZSZIOW-KRWDZBQOSA-N 2 2 348.454 3.247 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000156391896 455113039 /nfs/dbraw/zinc/11/30/39/455113039.db2.gz MZKUZWNNQCPKLK-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1 ZINC000156391896 455113043 /nfs/dbraw/zinc/11/30/43/455113043.db2.gz MZKUZWNNQCPKLK-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000118842049 455114388 /nfs/dbraw/zinc/11/43/88/455114388.db2.gz FQAMUJXSOGGVRE-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000118842049 455114393 /nfs/dbraw/zinc/11/43/93/455114393.db2.gz FQAMUJXSOGGVRE-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000118842049 455114397 /nfs/dbraw/zinc/11/43/97/455114397.db2.gz FQAMUJXSOGGVRE-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000118842049 455114400 /nfs/dbraw/zinc/11/44/00/455114400.db2.gz FQAMUJXSOGGVRE-GGPKGHCWSA-N 2 2 345.531 3.306 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000152422527 455117105 /nfs/dbraw/zinc/11/71/05/455117105.db2.gz LEOZYPZNBYOZOI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000152422527 455117111 /nfs/dbraw/zinc/11/71/11/455117111.db2.gz LEOZYPZNBYOZOI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000152422527 455117115 /nfs/dbraw/zinc/11/71/15/455117115.db2.gz LEOZYPZNBYOZOI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000152422527 455117120 /nfs/dbraw/zinc/11/71/20/455117120.db2.gz LEOZYPZNBYOZOI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000152425539 455118256 /nfs/dbraw/zinc/11/82/56/455118256.db2.gz RFKVFCBEKTZFIY-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1 ZINC000152425539 455118258 /nfs/dbraw/zinc/11/82/58/455118258.db2.gz RFKVFCBEKTZFIY-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000152425539 455118259 /nfs/dbraw/zinc/11/82/59/455118259.db2.gz RFKVFCBEKTZFIY-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000152425539 455118261 /nfs/dbraw/zinc/11/82/61/455118261.db2.gz RFKVFCBEKTZFIY-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP CCOc1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000623655936 460663492 /nfs/dbraw/zinc/66/34/92/460663492.db2.gz JCEQQQYCSDXAJY-QGZVFWFLSA-N 2 2 336.524 3.068 20 0 EGADLP CCOc1c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(C)nn1CC(C)C ZINC000623655936 460663498 /nfs/dbraw/zinc/66/34/98/460663498.db2.gz JCEQQQYCSDXAJY-QGZVFWFLSA-N 2 2 336.524 3.068 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCCCC1 ZINC000119192807 455132065 /nfs/dbraw/zinc/13/20/65/455132065.db2.gz KZHNXLABBJEGKI-NSHGMRRFSA-N 2 2 345.531 3.295 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCCCC1 ZINC000119192807 455132072 /nfs/dbraw/zinc/13/20/72/455132072.db2.gz KZHNXLABBJEGKI-NSHGMRRFSA-N 2 2 345.531 3.295 20 0 EGADLP C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1[nH+]ccn1C ZINC000180157348 455141312 /nfs/dbraw/zinc/14/13/12/455141312.db2.gz UKCGESKIBVQDTF-INIZCTEOSA-N 2 2 339.487 3.125 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623657739 460664808 /nfs/dbraw/zinc/66/48/08/460664808.db2.gz XTZOOYRCUZWREJ-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657739 460664812 /nfs/dbraw/zinc/66/48/12/460664812.db2.gz XTZOOYRCUZWREJ-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000172577522 455162516 /nfs/dbraw/zinc/16/25/16/455162516.db2.gz GBYCAFOODQNTNC-SFHVURJKSA-N 2 2 334.435 3.143 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)COCO2 ZINC000172577522 455162517 /nfs/dbraw/zinc/16/25/17/455162517.db2.gz GBYCAFOODQNTNC-SFHVURJKSA-N 2 2 334.435 3.143 20 0 EGADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(SC)cc1OC ZINC000172597233 455164164 /nfs/dbraw/zinc/16/41/64/455164164.db2.gz SVLHPCCYIXOXFE-ZDUSSCGKSA-N 2 2 335.473 3.048 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000237357855 455177592 /nfs/dbraw/zinc/17/75/92/455177592.db2.gz VQSPGNJBMGQMBD-OLZOCXBDSA-N 2 2 345.830 3.350 20 0 EGADLP Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515251 455302171 /nfs/dbraw/zinc/30/21/71/455302171.db2.gz HCACYEGNDYSXEI-GOEBONIOSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)[nH+]1 ZINC000183515251 455302175 /nfs/dbraw/zinc/30/21/75/455302175.db2.gz HCACYEGNDYSXEI-GOEBONIOSA-N 2 2 330.476 3.473 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000265504299 455335809 /nfs/dbraw/zinc/33/58/09/455335809.db2.gz PYKFDKGNOMBSTA-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000159326750 455369679 /nfs/dbraw/zinc/36/96/79/455369679.db2.gz DIEOLAKCRFXGPX-INIZCTEOSA-N 2 2 345.512 3.355 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000159326750 455369681 /nfs/dbraw/zinc/36/96/81/455369681.db2.gz DIEOLAKCRFXGPX-INIZCTEOSA-N 2 2 345.512 3.355 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)c(C)c1 ZINC000190972384 455416613 /nfs/dbraw/zinc/41/66/13/455416613.db2.gz XYJHIUMCJLTKSL-IBGZPJMESA-N 2 2 343.515 3.180 20 0 EGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246101088 455426415 /nfs/dbraw/zinc/42/64/15/455426415.db2.gz JGDYCAGXACKXEB-FXAWDEMLSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246101088 455426422 /nfs/dbraw/zinc/42/64/22/455426422.db2.gz JGDYCAGXACKXEB-FXAWDEMLSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246101088 455426426 /nfs/dbraw/zinc/42/64/26/455426426.db2.gz JGDYCAGXACKXEB-FXAWDEMLSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246101088 455426432 /nfs/dbraw/zinc/42/64/32/455426432.db2.gz JGDYCAGXACKXEB-FXAWDEMLSA-N 2 2 330.520 3.359 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266934643 455478378 /nfs/dbraw/zinc/47/83/78/455478378.db2.gz PODNNHMNWLTZJL-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266934643 455478382 /nfs/dbraw/zinc/47/83/82/455478382.db2.gz PODNNHMNWLTZJL-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000191492741 455489827 /nfs/dbraw/zinc/48/98/27/455489827.db2.gz AHMWOPYDEWJUQI-UHFFFAOYSA-N 2 2 339.443 3.408 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000191492741 455489831 /nfs/dbraw/zinc/48/98/31/455489831.db2.gz AHMWOPYDEWJUQI-UHFFFAOYSA-N 2 2 339.443 3.408 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1csnn1 ZINC000182421806 455510854 /nfs/dbraw/zinc/51/08/54/455510854.db2.gz WJTKWCQCIRAEGZ-UHFFFAOYSA-N 2 2 328.441 3.053 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1csnn1 ZINC000182421806 455510857 /nfs/dbraw/zinc/51/08/57/455510857.db2.gz WJTKWCQCIRAEGZ-UHFFFAOYSA-N 2 2 328.441 3.053 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](C[N@H+](C)CC)C1 ZINC000267217480 455518638 /nfs/dbraw/zinc/51/86/38/455518638.db2.gz IMMWPNUWEDJUMS-OAHLLOKOSA-N 2 2 341.455 3.190 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000267217480 455518642 /nfs/dbraw/zinc/51/86/42/455518642.db2.gz IMMWPNUWEDJUMS-OAHLLOKOSA-N 2 2 341.455 3.190 20 0 EGADLP Clc1ccc(CN2CCC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182666358 455563824 /nfs/dbraw/zinc/56/38/24/455563824.db2.gz UVCKQLXXBRDXOL-UHFFFAOYSA-N 2 2 332.879 3.135 20 0 EGADLP Clc1ccc(CN2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182666358 455563828 /nfs/dbraw/zinc/56/38/28/455563828.db2.gz UVCKQLXXBRDXOL-UHFFFAOYSA-N 2 2 332.879 3.135 20 0 EGADLP COc1ccccc1CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182667156 455564217 /nfs/dbraw/zinc/56/42/17/455564217.db2.gz UCRRHAGUVKSPLF-QGZVFWFLSA-N 2 2 327.472 3.316 20 0 EGADLP COc1ccccc1CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182667156 455564221 /nfs/dbraw/zinc/56/42/21/455564221.db2.gz UCRRHAGUVKSPLF-QGZVFWFLSA-N 2 2 327.472 3.316 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000247155613 455567316 /nfs/dbraw/zinc/56/73/16/455567316.db2.gz XIQXZAYVSMVZIP-MTNOOBJLSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000247155613 455567318 /nfs/dbraw/zinc/56/73/18/455567318.db2.gz XIQXZAYVSMVZIP-MTNOOBJLSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000247155613 455567321 /nfs/dbraw/zinc/56/73/21/455567321.db2.gz XIQXZAYVSMVZIP-MTNOOBJLSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000247155613 455567323 /nfs/dbraw/zinc/56/73/23/455567323.db2.gz XIQXZAYVSMVZIP-MTNOOBJLSA-N 3 2 335.561 3.278 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247439575 455601027 /nfs/dbraw/zinc/60/10/27/455601027.db2.gz ISCFOIMGFQQAPQ-JKIFEVAISA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247439575 455601029 /nfs/dbraw/zinc/60/10/29/455601029.db2.gz ISCFOIMGFQQAPQ-JKIFEVAISA-N 2 2 346.862 3.447 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000247560458 455624555 /nfs/dbraw/zinc/62/45/55/455624555.db2.gz GAFJJPKFFPBDFA-FPQWYMTMSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000247560458 455624558 /nfs/dbraw/zinc/62/45/58/455624558.db2.gz GAFJJPKFFPBDFA-FPQWYMTMSA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292315300 455627040 /nfs/dbraw/zinc/62/70/40/455627040.db2.gz WIQSUHIGBOYNAV-ITKAJJHTSA-N 2 2 332.463 3.366 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292315300 455627044 /nfs/dbraw/zinc/62/70/44/455627044.db2.gz WIQSUHIGBOYNAV-ITKAJJHTSA-N 2 2 332.463 3.366 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247684876 455637450 /nfs/dbraw/zinc/63/74/50/455637450.db2.gz UTWDBQHVPHGQFQ-UYAOXDASSA-N 2 2 345.531 3.260 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247684876 455637455 /nfs/dbraw/zinc/63/74/55/455637455.db2.gz UTWDBQHVPHGQFQ-UYAOXDASSA-N 2 2 345.531 3.260 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247776380 455645202 /nfs/dbraw/zinc/64/52/02/455645202.db2.gz WWELZWGRSFOXON-IIYDPXPESA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247776380 455645206 /nfs/dbraw/zinc/64/52/06/455645206.db2.gz WWELZWGRSFOXON-IIYDPXPESA-N 2 2 348.397 3.071 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998772 455667949 /nfs/dbraw/zinc/66/79/49/455667949.db2.gz KDXDQRYRMCDUOG-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998772 455667955 /nfs/dbraw/zinc/66/79/55/455667955.db2.gz KDXDQRYRMCDUOG-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998772 455667959 /nfs/dbraw/zinc/66/79/59/455667959.db2.gz KDXDQRYRMCDUOG-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4cccc(Cl)c4)o3)CC[C@H]21 ZINC000247998772 455667967 /nfs/dbraw/zinc/66/79/67/455667967.db2.gz KDXDQRYRMCDUOG-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1noc(CCC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000271517204 455668634 /nfs/dbraw/zinc/66/86/34/455668634.db2.gz UHNGSXIDBJPEPG-UHFFFAOYSA-N 2 2 348.878 3.218 20 0 EGADLP O[C@H]([C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(F)(F)F ZINC000277812178 455673290 /nfs/dbraw/zinc/67/32/90/455673290.db2.gz QGLGYFIMBXVBBL-GOEBONIOSA-N 2 2 339.361 3.008 20 0 EGADLP Cc1nnc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000271552688 455682349 /nfs/dbraw/zinc/68/23/49/455682349.db2.gz LRZLIQAYIQPHHY-AWEZNQCLSA-N 2 2 327.457 3.169 20 0 EGADLP Cc1nnc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000271552688 455682352 /nfs/dbraw/zinc/68/23/52/455682352.db2.gz LRZLIQAYIQPHHY-AWEZNQCLSA-N 2 2 327.457 3.169 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248125177 455684531 /nfs/dbraw/zinc/68/45/31/455684531.db2.gz NVOSYTMOKRKBNL-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248125177 455684532 /nfs/dbraw/zinc/68/45/32/455684532.db2.gz NVOSYTMOKRKBNL-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248125177 455684533 /nfs/dbraw/zinc/68/45/33/455684533.db2.gz NVOSYTMOKRKBNL-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248125177 455684534 /nfs/dbraw/zinc/68/45/34/455684534.db2.gz NVOSYTMOKRKBNL-CPUCHLNUSA-N 2 2 335.879 3.083 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000271559840 455684613 /nfs/dbraw/zinc/68/46/13/455684613.db2.gz PKJXCAONVIHKDB-UHFFFAOYSA-N 2 2 337.471 3.212 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178127 455695330 /nfs/dbraw/zinc/69/53/30/455695330.db2.gz VZPPTTSJSYNWJH-CRAIPNDOSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178127 455695336 /nfs/dbraw/zinc/69/53/36/455695336.db2.gz VZPPTTSJSYNWJH-CRAIPNDOSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178127 455695339 /nfs/dbraw/zinc/69/53/39/455695339.db2.gz VZPPTTSJSYNWJH-CRAIPNDOSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CC[C@H]21 ZINC000248178127 455695346 /nfs/dbraw/zinc/69/53/46/455695346.db2.gz VZPPTTSJSYNWJH-CRAIPNDOSA-N 2 2 329.419 3.397 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000268919428 455731021 /nfs/dbraw/zinc/73/10/21/455731021.db2.gz JRHCVBKQMKJFQN-DNVCBOLYSA-N 3 2 344.528 3.269 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923258 455731617 /nfs/dbraw/zinc/73/16/17/455731617.db2.gz PIBDHVBSJNVWMM-MAUKXSAKSA-N 2 2 329.513 3.312 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923258 455731620 /nfs/dbraw/zinc/73/16/20/455731620.db2.gz PIBDHVBSJNVWMM-MAUKXSAKSA-N 2 2 329.513 3.312 20 0 EGADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268961093 455745607 /nfs/dbraw/zinc/74/56/07/455745607.db2.gz XJEKLAPIIQDFQS-RTBURBONSA-N 2 2 337.939 3.133 20 0 EGADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268961093 455745608 /nfs/dbraw/zinc/74/56/08/455745608.db2.gz XJEKLAPIIQDFQS-RTBURBONSA-N 2 2 337.939 3.133 20 0 EGADLP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000269027828 455767464 /nfs/dbraw/zinc/76/74/64/455767464.db2.gz SGYRCFNKDKXWTB-JCNLHEQBSA-N 2 2 336.907 3.445 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Br)CC[C@H]1[NH3+] ZINC000251912142 455798786 /nfs/dbraw/zinc/79/87/86/455798786.db2.gz XUGXVMXCQGTBLM-IAQYHMDHSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]([C@H](C)C3CC3)C3CC3)c2cc1C ZINC000249744757 455771940 /nfs/dbraw/zinc/77/19/40/455771940.db2.gz ZCKVFCGMZDWYSH-CRAIPNDOSA-N 2 2 327.472 3.277 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]([C@H](C)C3CC3)C3CC3)c2cc1C ZINC000249744757 455771942 /nfs/dbraw/zinc/77/19/42/455771942.db2.gz ZCKVFCGMZDWYSH-CRAIPNDOSA-N 2 2 327.472 3.277 20 0 EGADLP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271820517 455773835 /nfs/dbraw/zinc/77/38/35/455773835.db2.gz CCWHPKAAUBBTGA-MRXNPFEDSA-N 2 2 340.471 3.314 20 0 EGADLP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269056115 455776983 /nfs/dbraw/zinc/77/69/83/455776983.db2.gz ZBTPDSFSXYPGLG-SUMWQHHRSA-N 2 2 342.936 3.006 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250289014 455787365 /nfs/dbraw/zinc/78/73/65/455787365.db2.gz OHZHCMLDRHFZLG-ROUUACIJSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250289014 455787368 /nfs/dbraw/zinc/78/73/68/455787368.db2.gz OHZHCMLDRHFZLG-ROUUACIJSA-N 2 2 337.552 3.124 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2Br)CC[C@H]1[NH3+] ZINC000251912142 455798781 /nfs/dbraw/zinc/79/87/81/455798781.db2.gz XUGXVMXCQGTBLM-IAQYHMDHSA-N 2 2 327.266 3.017 20 0 EGADLP OCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000271972008 455808909 /nfs/dbraw/zinc/80/89/09/455808909.db2.gz CKPBBPBPZSGWNC-UHFFFAOYSA-N 2 2 328.243 3.075 20 0 EGADLP OCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000271972008 455808912 /nfs/dbraw/zinc/80/89/12/455808912.db2.gz CKPBBPBPZSGWNC-UHFFFAOYSA-N 2 2 328.243 3.075 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)s1 ZINC000285636256 455886189 /nfs/dbraw/zinc/88/61/89/455886189.db2.gz KQAJXTFNXRXADZ-LNRIEFBSSA-N 2 2 349.544 3.099 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)s1 ZINC000285636256 455886191 /nfs/dbraw/zinc/88/61/91/455886191.db2.gz KQAJXTFNXRXADZ-LNRIEFBSSA-N 2 2 349.544 3.099 20 0 EGADLP COc1ccccc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272254917 455893484 /nfs/dbraw/zinc/89/34/84/455893484.db2.gz LADVBKDJKZZMBW-NVXWUHKLSA-N 2 2 340.471 3.404 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)ccc3Cl)C[C@@H]12 ZINC000261579732 455908877 /nfs/dbraw/zinc/90/88/77/455908877.db2.gz PRTAEJFLDLOZPA-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)ccc3Cl)C[C@@H]12 ZINC000261579732 455908880 /nfs/dbraw/zinc/90/88/80/455908880.db2.gz PRTAEJFLDLOZPA-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261625722 455915860 /nfs/dbraw/zinc/91/58/60/455915860.db2.gz DLZFAIHUFRUSTH-ZWKOTPCHSA-N 2 2 343.858 3.095 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261625722 455915863 /nfs/dbraw/zinc/91/58/63/455915863.db2.gz DLZFAIHUFRUSTH-ZWKOTPCHSA-N 2 2 343.858 3.095 20 0 EGADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270336917 455932001 /nfs/dbraw/zinc/93/20/01/455932001.db2.gz MXCYSSVKSOOSHT-SFHVURJKSA-N 2 2 337.471 3.323 20 0 EGADLP Cc1cc(C)n(CC[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270336917 455932005 /nfs/dbraw/zinc/93/20/05/455932005.db2.gz MXCYSSVKSOOSHT-SFHVURJKSA-N 2 2 337.471 3.323 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC000261814729 455953326 /nfs/dbraw/zinc/95/33/26/455953326.db2.gz RTJNKCANHWIISB-CTNGQTDRSA-N 3 2 332.451 3.047 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC000261814729 455953332 /nfs/dbraw/zinc/95/33/32/455953332.db2.gz RTJNKCANHWIISB-CTNGQTDRSA-N 3 2 332.451 3.047 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000261839781 455957518 /nfs/dbraw/zinc/95/75/18/455957518.db2.gz ZRWDBVMSURHZQT-INIZCTEOSA-N 2 2 349.276 3.010 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000261839781 455957523 /nfs/dbraw/zinc/95/75/23/455957523.db2.gz ZRWDBVMSURHZQT-INIZCTEOSA-N 2 2 349.276 3.010 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000261869895 455962771 /nfs/dbraw/zinc/96/27/71/455962771.db2.gz SWGHEUCDQIOSFE-INIZCTEOSA-N 2 2 334.261 3.168 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000261869895 455962773 /nfs/dbraw/zinc/96/27/73/455962773.db2.gz SWGHEUCDQIOSFE-INIZCTEOSA-N 2 2 334.261 3.168 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551583 455981326 /nfs/dbraw/zinc/98/13/26/455981326.db2.gz BLBJSWGCERCQPD-PXNSSMCTSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551583 455981332 /nfs/dbraw/zinc/98/13/32/455981332.db2.gz BLBJSWGCERCQPD-PXNSSMCTSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551583 455981335 /nfs/dbraw/zinc/98/13/35/455981335.db2.gz BLBJSWGCERCQPD-PXNSSMCTSA-N 3 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000270551583 455981341 /nfs/dbraw/zinc/98/13/41/455981341.db2.gz BLBJSWGCERCQPD-PXNSSMCTSA-N 3 2 326.488 3.176 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000272524028 455981901 /nfs/dbraw/zinc/98/19/01/455981901.db2.gz OCFFGXHQKOBVDC-HNNXBMFYSA-N 2 2 329.444 3.141 20 0 EGADLP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262038192 455988442 /nfs/dbraw/zinc/98/84/42/455988442.db2.gz OVRNMVQCWJYGBY-UWJYYQICSA-N 2 2 346.478 3.377 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H]1[NH3+] ZINC000262038192 455988449 /nfs/dbraw/zinc/98/84/49/455988449.db2.gz OVRNMVQCWJYGBY-UWJYYQICSA-N 2 2 346.478 3.377 20 0 EGADLP Fc1cc(Cl)ccc1N1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000623755377 460706480 /nfs/dbraw/zinc/70/64/80/460706480.db2.gz BWPAVOUQIPHHQF-CQSZACIVSA-N 2 2 344.821 3.495 20 0 EGADLP CCOCC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000272590120 456005130 /nfs/dbraw/zinc/00/51/30/456005130.db2.gz MOMHIHBJZZHHQH-UHFFFAOYSA-N 2 2 331.460 3.211 20 0 EGADLP CCOCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000272590120 456005134 /nfs/dbraw/zinc/00/51/34/456005134.db2.gz MOMHIHBJZZHHQH-UHFFFAOYSA-N 2 2 331.460 3.211 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000271189901 456163215 /nfs/dbraw/zinc/16/32/15/456163215.db2.gz PHFATSWDJUYFNV-HNNXBMFYSA-N 2 2 325.412 3.095 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000271189901 456163222 /nfs/dbraw/zinc/16/32/22/456163222.db2.gz PHFATSWDJUYFNV-HNNXBMFYSA-N 2 2 325.412 3.095 20 0 EGADLP Cc1cn2cc(NC(=O)N3CCCC[C@H]3[C@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC000333161399 456169729 /nfs/dbraw/zinc/16/97/29/456169729.db2.gz NZHLCSSNOAMQLR-RDJZCZTQSA-N 2 2 341.459 3.029 20 0 EGADLP Cc1noc(C)c1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000236693534 456169701 /nfs/dbraw/zinc/16/97/01/456169701.db2.gz QNGRTYLVZZRUMF-HXUWFJFHSA-N 2 2 327.472 3.464 20 0 EGADLP Cc1noc(C)c1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000236693534 456169705 /nfs/dbraw/zinc/16/97/05/456169705.db2.gz QNGRTYLVZZRUMF-HXUWFJFHSA-N 2 2 327.472 3.464 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281287625 456190040 /nfs/dbraw/zinc/19/00/40/456190040.db2.gz JBWIJQNYLUFVHV-IAGOWNOFSA-N 2 2 339.487 3.010 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000281287625 456190049 /nfs/dbraw/zinc/19/00/49/456190049.db2.gz JBWIJQNYLUFVHV-IAGOWNOFSA-N 2 2 339.487 3.010 20 0 EGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000237025151 456221066 /nfs/dbraw/zinc/22/10/66/456221066.db2.gz MWVOPICDLPFNKB-FZKQIMNGSA-N 2 2 326.444 3.198 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000620649698 460719467 /nfs/dbraw/zinc/71/94/67/460719467.db2.gz ANWNQMSVTXCWOI-HNNXBMFYSA-N 2 2 334.423 3.028 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)cc2[nH+]1 ZINC000620649698 460719472 /nfs/dbraw/zinc/71/94/72/460719472.db2.gz ANWNQMSVTXCWOI-HNNXBMFYSA-N 2 2 334.423 3.028 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723174 456255282 /nfs/dbraw/zinc/25/52/82/456255282.db2.gz UZIXZJDRJXWASY-AUUYWEPGSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723174 456255286 /nfs/dbraw/zinc/25/52/86/456255286.db2.gz UZIXZJDRJXWASY-AUUYWEPGSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1cc(Br)c2c(c1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000189229670 456260155 /nfs/dbraw/zinc/26/01/55/456260155.db2.gz HRPBNBYFLDBMLE-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1cc(Br)c2c(c1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000189229670 456260158 /nfs/dbraw/zinc/26/01/58/456260158.db2.gz HRPBNBYFLDBMLE-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1ccc(-c2noc([C@H]3CC[N@H+](C)[C@@H](C)C3)n2)c(N2CCCC2)[nH+]1 ZINC000333892674 456272282 /nfs/dbraw/zinc/27/22/82/456272282.db2.gz XMRPGBPYNOLOMN-GJZGRUSLSA-N 2 2 341.459 3.238 20 0 EGADLP Cc1ccc(-c2noc([C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)c(N2CCCC2)[nH+]1 ZINC000333892674 456272287 /nfs/dbraw/zinc/27/22/87/456272287.db2.gz XMRPGBPYNOLOMN-GJZGRUSLSA-N 2 2 341.459 3.238 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073758 456279459 /nfs/dbraw/zinc/27/94/59/456279459.db2.gz VGPKHEBNGFXACZ-HOTGVXAUSA-N 2 2 339.487 3.303 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000302073758 456279463 /nfs/dbraw/zinc/27/94/63/456279463.db2.gz VGPKHEBNGFXACZ-HOTGVXAUSA-N 2 2 339.487 3.303 20 0 EGADLP Cc1cc(C[NH+]2CCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)on1 ZINC000302078786 456281219 /nfs/dbraw/zinc/28/12/19/456281219.db2.gz KLYNQPLTPPVAEE-UHFFFAOYSA-N 2 2 336.439 3.470 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000352764843 456287487 /nfs/dbraw/zinc/28/74/87/456287487.db2.gz YEGYPSUMABCRRN-GOSISDBHSA-N 2 2 340.471 3.078 20 0 EGADLP CCOc1ncccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171907 456289786 /nfs/dbraw/zinc/28/97/86/456289786.db2.gz COXRZRKNIYZAJW-RBUKOAKNSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171907 456289793 /nfs/dbraw/zinc/28/97/93/456289793.db2.gz COXRZRKNIYZAJW-RBUKOAKNSA-N 2 2 325.456 3.405 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176366 456293287 /nfs/dbraw/zinc/29/32/87/456293287.db2.gz WSPWPFAGQZZYLI-QUCCMNQESA-N 3 2 338.499 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC000340176366 456293291 /nfs/dbraw/zinc/29/32/91/456293291.db2.gz WSPWPFAGQZZYLI-QUCCMNQESA-N 3 2 338.499 3.187 20 0 EGADLP C[C@H](CCNc1[nH+]cnc2c1cnn2C(C)(C)C)[NH+]1CCCCC1 ZINC000302138468 456296698 /nfs/dbraw/zinc/29/66/98/456296698.db2.gz INKLRIFMWMIQDK-CQSZACIVSA-N 2 2 330.480 3.258 20 0 EGADLP CC(C)n1cncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336788885 456308425 /nfs/dbraw/zinc/30/84/25/456308425.db2.gz HTKFEKPITRQNNH-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336788885 456308432 /nfs/dbraw/zinc/30/84/32/456308432.db2.gz HTKFEKPITRQNNH-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336788885 456308435 /nfs/dbraw/zinc/30/84/35/456308435.db2.gz HTKFEKPITRQNNH-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336788885 456308441 /nfs/dbraw/zinc/30/84/41/456308441.db2.gz HTKFEKPITRQNNH-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP COc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336793175 456310699 /nfs/dbraw/zinc/31/06/99/456310699.db2.gz VSGIFKFSCNWJOI-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336793175 456310707 /nfs/dbraw/zinc/31/07/07/456310707.db2.gz VSGIFKFSCNWJOI-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336793175 456310713 /nfs/dbraw/zinc/31/07/13/456310713.db2.gz VSGIFKFSCNWJOI-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336793175 456310718 /nfs/dbraw/zinc/31/07/18/456310718.db2.gz VSGIFKFSCNWJOI-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352818286 456334785 /nfs/dbraw/zinc/33/47/85/456334785.db2.gz UGSPZLGKLXFORO-NRFANRHFSA-N 3 2 329.532 3.316 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352818286 456334788 /nfs/dbraw/zinc/33/47/88/456334788.db2.gz UGSPZLGKLXFORO-NRFANRHFSA-N 3 2 329.532 3.316 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352818286 456334792 /nfs/dbraw/zinc/33/47/92/456334792.db2.gz UGSPZLGKLXFORO-NRFANRHFSA-N 3 2 329.532 3.316 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352818286 456334795 /nfs/dbraw/zinc/33/47/95/456334795.db2.gz UGSPZLGKLXFORO-NRFANRHFSA-N 3 2 329.532 3.316 20 0 EGADLP CC[N@@H+](CC1CCC(=O)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000347735111 456338629 /nfs/dbraw/zinc/33/86/29/456338629.db2.gz MFBHQSROBJPNJO-UHFFFAOYSA-N 2 2 329.488 3.379 20 0 EGADLP CC[N@H+](CC1CCC(=O)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000347735111 456338632 /nfs/dbraw/zinc/33/86/32/456338632.db2.gz MFBHQSROBJPNJO-UHFFFAOYSA-N 2 2 329.488 3.379 20 0 EGADLP CC(C)OC[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000337332013 456346152 /nfs/dbraw/zinc/34/61/52/456346152.db2.gz HWRIUVYWLCAENI-MSOLQXFVSA-N 2 2 334.504 3.290 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCc1ccccn1 ZINC000290519310 456351616 /nfs/dbraw/zinc/35/16/16/456351616.db2.gz PZGUISDKRLBGDC-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCc1ccccn1 ZINC000290519310 456351624 /nfs/dbraw/zinc/35/16/24/456351624.db2.gz PZGUISDKRLBGDC-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc(Cl)c1O ZINC000298048584 456352827 /nfs/dbraw/zinc/35/28/27/456352827.db2.gz IJSRKZRHBQXHDJ-AWEZNQCLSA-N 2 2 326.868 3.360 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc(Cl)c1O ZINC000298048584 456352832 /nfs/dbraw/zinc/35/28/32/456352832.db2.gz IJSRKZRHBQXHDJ-AWEZNQCLSA-N 2 2 326.868 3.360 20 0 EGADLP COc1cccc2c(N[C@@H](C)[C@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000302610391 456364465 /nfs/dbraw/zinc/36/44/65/456364465.db2.gz DUUUKHLAOVLRHG-GJZGRUSLSA-N 2 2 329.444 3.073 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000337544963 456369750 /nfs/dbraw/zinc/36/97/50/456369750.db2.gz KYIUOQAOFXFWJA-HUUCEWRRSA-N 2 2 325.403 3.190 20 0 EGADLP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000337567967 456387109 /nfs/dbraw/zinc/38/71/09/456387109.db2.gz ZNCYOWNKSLPCKX-VXGBXAGGSA-N 2 2 330.341 3.153 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1OC ZINC000347852665 456405867 /nfs/dbraw/zinc/40/58/67/456405867.db2.gz IZWJEBJKTWBUNZ-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(C)c1OC ZINC000347852665 456405869 /nfs/dbraw/zinc/40/58/69/456405869.db2.gz IZWJEBJKTWBUNZ-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP c1csc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000340517187 456504276 /nfs/dbraw/zinc/50/42/76/456504276.db2.gz DGRFQHYYJUKMFZ-CWLKWCNXSA-N 2 2 332.513 3.432 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000343364298 456561672 /nfs/dbraw/zinc/56/16/72/456561672.db2.gz PZKWEAOXABTTBA-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000343364298 456561678 /nfs/dbraw/zinc/56/16/78/456561678.db2.gz PZKWEAOXABTTBA-UZLBHIALSA-N 2 2 325.456 3.090 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1 ZINC000348244420 456564072 /nfs/dbraw/zinc/56/40/72/456564072.db2.gz XFECIGNGDHKISS-UHFFFAOYSA-N 2 2 341.455 3.252 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1 ZINC000348244420 456564075 /nfs/dbraw/zinc/56/40/75/456564075.db2.gz XFECIGNGDHKISS-UHFFFAOYSA-N 2 2 341.455 3.252 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000337877982 456582536 /nfs/dbraw/zinc/58/25/36/456582536.db2.gz RRFLHZXOWOFSRK-CQSZACIVSA-N 2 2 345.878 3.425 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000337877982 456582541 /nfs/dbraw/zinc/58/25/41/456582541.db2.gz RRFLHZXOWOFSRK-CQSZACIVSA-N 2 2 345.878 3.425 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348272079 456587537 /nfs/dbraw/zinc/58/75/37/456587537.db2.gz XPRBJZDMXIQSIV-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000348272079 456587545 /nfs/dbraw/zinc/58/75/45/456587545.db2.gz XPRBJZDMXIQSIV-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348272079 456587551 /nfs/dbraw/zinc/58/75/51/456587551.db2.gz XPRBJZDMXIQSIV-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348272079 456587559 /nfs/dbraw/zinc/58/75/59/456587559.db2.gz XPRBJZDMXIQSIV-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cn1c(NCc2[nH+]ccn2CCc2ccccc2)[nH+]c2cccc(F)c21 ZINC000337886588 456587578 /nfs/dbraw/zinc/58/75/78/456587578.db2.gz YHYOLUVCRHYECI-UHFFFAOYSA-N 2 2 349.413 3.186 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1Cc1ncc(C[NH+](C)C)s1 ZINC000348355141 456644490 /nfs/dbraw/zinc/64/44/90/456644490.db2.gz KSIHSZJUKWQBBI-OAHLLOKOSA-N 2 2 333.505 3.148 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000277059182 456667382 /nfs/dbraw/zinc/66/73/82/456667382.db2.gz CZGDWIAOJIYVBP-SFHVURJKSA-N 2 2 347.434 3.211 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)OC)c1ccc(F)cc1 ZINC000277059182 456667390 /nfs/dbraw/zinc/66/73/90/456667390.db2.gz CZGDWIAOJIYVBP-SFHVURJKSA-N 2 2 347.434 3.211 20 0 EGADLP C[NH+](C)CC1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338174745 456685486 /nfs/dbraw/zinc/68/54/86/456685486.db2.gz JPYDXNUYCJUQRP-UHFFFAOYSA-N 2 2 339.439 3.288 20 0 EGADLP CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338223868 456715367 /nfs/dbraw/zinc/71/53/67/456715367.db2.gz IVWHYCZIRQZFOV-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338223868 456715371 /nfs/dbraw/zinc/71/53/71/456715371.db2.gz IVWHYCZIRQZFOV-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277199703 456721343 /nfs/dbraw/zinc/72/13/43/456721343.db2.gz MMKJEONVOPKQJC-INIZCTEOSA-N 2 2 335.517 3.376 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277199703 456721346 /nfs/dbraw/zinc/72/13/46/456721346.db2.gz MMKJEONVOPKQJC-INIZCTEOSA-N 2 2 335.517 3.376 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000277210160 456725242 /nfs/dbraw/zinc/72/52/42/456725242.db2.gz NDYLLOJFVCFFGD-LJQANCHMSA-N 2 2 325.456 3.194 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000277210160 456725246 /nfs/dbraw/zinc/72/52/46/456725246.db2.gz NDYLLOJFVCFFGD-LJQANCHMSA-N 2 2 325.456 3.194 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000299602456 456740518 /nfs/dbraw/zinc/74/05/18/456740518.db2.gz VXFSSRPUXSHKIM-XLIONFOSSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000299602456 456740524 /nfs/dbraw/zinc/74/05/24/456740524.db2.gz VXFSSRPUXSHKIM-XLIONFOSSA-N 2 2 334.479 3.303 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277285987 456760620 /nfs/dbraw/zinc/76/06/20/456760620.db2.gz SQRLDMRENMMRPP-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277285987 456760623 /nfs/dbraw/zinc/76/06/23/456760623.db2.gz SQRLDMRENMMRPP-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP Cc1cc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000301231165 456827546 /nfs/dbraw/zinc/82/75/46/456827546.db2.gz IYSSFJSNPBOKMV-HOTGVXAUSA-N 2 2 326.444 3.006 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c[nH+]1 ZINC000353654942 456834567 /nfs/dbraw/zinc/83/45/67/456834567.db2.gz WMEVTKOZLVMDMH-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP Cc1ccc(CCC[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)c[nH+]1 ZINC000353654942 456834570 /nfs/dbraw/zinc/83/45/70/456834570.db2.gz WMEVTKOZLVMDMH-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP COc1ccc2nc(C[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)sc2c1 ZINC000353757992 456893680 /nfs/dbraw/zinc/89/36/80/456893680.db2.gz JPWBBSVIMPLIPL-CYBMUJFWSA-N 2 2 342.468 3.477 20 0 EGADLP Cc1ccc(CCCNc2ccccc2C[NH+]2CCC(O)CC2)c[nH+]1 ZINC000353813951 456919162 /nfs/dbraw/zinc/91/91/62/456919162.db2.gz JLFNBRNCMBZUEI-UHFFFAOYSA-N 2 2 339.483 3.391 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339068701 456925770 /nfs/dbraw/zinc/92/57/70/456925770.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339068701 456925775 /nfs/dbraw/zinc/92/57/75/456925775.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339068701 456925781 /nfs/dbraw/zinc/92/57/81/456925781.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339068701 456925782 /nfs/dbraw/zinc/92/57/82/456925782.db2.gz PCZRTEFDUFUASO-PMXSJFBMSA-N 3 2 327.516 3.113 20 0 EGADLP Cc1ccc2[nH+]c(CN(CC[NH+](C)C)Cc3cccs3)cn2c1 ZINC000349322280 456941981 /nfs/dbraw/zinc/94/19/81/456941981.db2.gz YSXIUKCOZMAXLF-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP Cc1sccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000339180376 456979609 /nfs/dbraw/zinc/97/96/09/456979609.db2.gz SVVNSUOCVLCHKD-UHFFFAOYSA-N 2 2 329.513 3.358 20 0 EGADLP CCCC[N@H+](CCOC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341873335 456981258 /nfs/dbraw/zinc/98/12/58/456981258.db2.gz HFBCVJCTYNSEGB-FQEVSTJZSA-N 2 2 334.504 3.026 20 0 EGADLP CCCC[NH+](CCOC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341873335 456981268 /nfs/dbraw/zinc/98/12/68/456981268.db2.gz HFBCVJCTYNSEGB-FQEVSTJZSA-N 2 2 334.504 3.026 20 0 EGADLP CCCC[NH+](CCOC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341873335 456981270 /nfs/dbraw/zinc/98/12/70/456981270.db2.gz HFBCVJCTYNSEGB-FQEVSTJZSA-N 2 2 334.504 3.026 20 0 EGADLP CC[C@H](C[NH2+]Cc1cc(O)cc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000349615277 456996067 /nfs/dbraw/zinc/99/60/67/456996067.db2.gz VHZRDIDMWRODAW-LJQANCHMSA-N 2 2 328.431 3.458 20 0 EGADLP CC[C@H](C[NH2+]Cc1cc(O)cc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000349615277 456996071 /nfs/dbraw/zinc/99/60/71/456996071.db2.gz VHZRDIDMWRODAW-LJQANCHMSA-N 2 2 328.431 3.458 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000349694296 457018626 /nfs/dbraw/zinc/01/86/26/457018626.db2.gz BLKDNZRXTFUARU-UHFFFAOYSA-N 2 2 339.892 3.417 20 0 EGADLP Cn1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2cc(Cl)ccc21 ZINC000354045076 457029762 /nfs/dbraw/zinc/02/97/62/457029762.db2.gz PLPOHYIJLQPSRT-OAHLLOKOSA-N 2 2 342.830 3.275 20 0 EGADLP Cn1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2cc(Cl)ccc21 ZINC000354045076 457029767 /nfs/dbraw/zinc/02/97/67/457029767.db2.gz PLPOHYIJLQPSRT-OAHLLOKOSA-N 2 2 342.830 3.275 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cs1 ZINC000346581874 457058544 /nfs/dbraw/zinc/05/85/44/457058544.db2.gz VIOOKLMDPCHBIC-RRQGHBQHSA-N 2 2 337.533 3.295 20 0 EGADLP CC[C@H](C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+](CC)CC ZINC000359258385 457070290 /nfs/dbraw/zinc/07/02/90/457070290.db2.gz JEYWCPSEHXLEBU-QGZVFWFLSA-N 2 2 344.459 3.021 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129448 457083213 /nfs/dbraw/zinc/08/32/13/457083213.db2.gz CYGXQMNQAWUUGF-MDZRGWNJSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129448 457083218 /nfs/dbraw/zinc/08/32/18/457083218.db2.gz CYGXQMNQAWUUGF-MDZRGWNJSA-N 2 2 325.456 3.348 20 0 EGADLP [NH3+]CCCOC1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000339406947 457096528 /nfs/dbraw/zinc/09/65/28/457096528.db2.gz IHCYTIPDHZJVCG-UHFFFAOYSA-N 2 2 335.250 3.462 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354168194 457105730 /nfs/dbraw/zinc/10/57/30/457105730.db2.gz VXZOQLWMTHCQON-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354168194 457105737 /nfs/dbraw/zinc/10/57/37/457105737.db2.gz VXZOQLWMTHCQON-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354168194 457105742 /nfs/dbraw/zinc/10/57/42/457105742.db2.gz VXZOQLWMTHCQON-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354168194 457105751 /nfs/dbraw/zinc/10/57/51/457105751.db2.gz VXZOQLWMTHCQON-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434704 457116313 /nfs/dbraw/zinc/11/63/13/457116313.db2.gz WWOMLZQWDBOOTK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434704 457116320 /nfs/dbraw/zinc/11/63/20/457116320.db2.gz WWOMLZQWDBOOTK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434704 457116326 /nfs/dbraw/zinc/11/63/26/457116326.db2.gz WWOMLZQWDBOOTK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434704 457116333 /nfs/dbraw/zinc/11/63/33/457116333.db2.gz WWOMLZQWDBOOTK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)sc2c1 ZINC000339437505 457117752 /nfs/dbraw/zinc/11/77/52/457117752.db2.gz KVTLBCLWFQXIMC-GOSISDBHSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)sc2c1 ZINC000339437505 457117759 /nfs/dbraw/zinc/11/77/59/457117759.db2.gz KVTLBCLWFQXIMC-GOSISDBHSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)sc2c1 ZINC000339437505 457117767 /nfs/dbraw/zinc/11/77/67/457117767.db2.gz KVTLBCLWFQXIMC-GOSISDBHSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)sc2c1 ZINC000339437505 457117772 /nfs/dbraw/zinc/11/77/72/457117772.db2.gz KVTLBCLWFQXIMC-GOSISDBHSA-N 2 2 331.485 3.223 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1C ZINC000354204711 457128118 /nfs/dbraw/zinc/12/81/18/457128118.db2.gz GJNFAXQOUPPBBR-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1C ZINC000354204711 457128120 /nfs/dbraw/zinc/12/81/20/457128120.db2.gz GJNFAXQOUPPBBR-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1C ZINC000354204711 457128128 /nfs/dbraw/zinc/12/81/28/457128128.db2.gz GJNFAXQOUPPBBR-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1C ZINC000354204711 457128135 /nfs/dbraw/zinc/12/81/35/457128135.db2.gz GJNFAXQOUPPBBR-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354218308 457137982 /nfs/dbraw/zinc/13/79/82/457137982.db2.gz AXFWDFQKHMBVHX-HUUCEWRRSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354218308 457137988 /nfs/dbraw/zinc/13/79/88/457137988.db2.gz AXFWDFQKHMBVHX-HUUCEWRRSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354218308 457137992 /nfs/dbraw/zinc/13/79/92/457137992.db2.gz AXFWDFQKHMBVHX-HUUCEWRRSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354218308 457137998 /nfs/dbraw/zinc/13/79/98/457137998.db2.gz AXFWDFQKHMBVHX-HUUCEWRRSA-N 2 2 332.467 3.500 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1CNc1cc[nH+]c(C(C)C)n1 ZINC000346738952 457140964 /nfs/dbraw/zinc/14/09/64/457140964.db2.gz DJTPNCABUIMRKO-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000359952554 457168609 /nfs/dbraw/zinc/16/86/09/457168609.db2.gz NOLHBCUNGVWDQR-LBPRGKRZSA-N 2 2 341.858 3.269 20 0 EGADLP CC[C@H](C[NH2+]Cc1cccc(OC)n1)[N@@H+]1CCc2ccccc2C1 ZINC000359974633 457180970 /nfs/dbraw/zinc/18/09/70/457180970.db2.gz IEDJHBLDHOOTNB-LJQANCHMSA-N 2 2 325.456 3.017 20 0 EGADLP CC[C@H](C[NH2+]Cc1cccc(OC)n1)[N@H+]1CCc2ccccc2C1 ZINC000359974633 457180974 /nfs/dbraw/zinc/18/09/74/457180974.db2.gz IEDJHBLDHOOTNB-LJQANCHMSA-N 2 2 325.456 3.017 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4cc(F)ccc43)[nH+]c2)C1 ZINC000346951522 457192162 /nfs/dbraw/zinc/19/21/62/457192162.db2.gz COMRHVNQXVKXMQ-PKOBYXMFSA-N 2 2 340.446 3.460 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000356891964 457202688 /nfs/dbraw/zinc/20/26/88/457202688.db2.gz LKWHZFQYJLDJFI-UHFFFAOYSA-N 2 2 342.458 3.381 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000356891964 457202694 /nfs/dbraw/zinc/20/26/94/457202694.db2.gz LKWHZFQYJLDJFI-UHFFFAOYSA-N 2 2 342.458 3.381 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000342303940 457224889 /nfs/dbraw/zinc/22/48/89/457224889.db2.gz FMTRRBBUGMNSBJ-LPHOPBHVSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000342303940 457224895 /nfs/dbraw/zinc/22/48/95/457224895.db2.gz FMTRRBBUGMNSBJ-LPHOPBHVSA-N 2 2 334.467 3.326 20 0 EGADLP CC(C)[NH+](CCN[C@H](c1[nH+]ccn1C)c1cccc(F)c1)C(C)C ZINC000357003629 457268626 /nfs/dbraw/zinc/26/86/26/457268626.db2.gz ZNKVSVQCAKDYDT-SFHVURJKSA-N 2 2 332.467 3.357 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000331962657 457280126 /nfs/dbraw/zinc/28/01/26/457280126.db2.gz VBWBTLQCMOEGPF-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccc(F)c1 ZINC000357036704 457291887 /nfs/dbraw/zinc/29/18/87/457291887.db2.gz JTZPPMDGHVZSJO-RDJZCZTQSA-N 2 2 339.418 3.012 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363354513 457303249 /nfs/dbraw/zinc/30/32/49/457303249.db2.gz BNINHEDIYHSIHV-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000363354513 457303254 /nfs/dbraw/zinc/30/32/54/457303254.db2.gz BNINHEDIYHSIHV-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)on1 ZINC000363354513 457303256 /nfs/dbraw/zinc/30/32/56/457303256.db2.gz BNINHEDIYHSIHV-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)on1 ZINC000363354513 457303261 /nfs/dbraw/zinc/30/32/61/457303261.db2.gz BNINHEDIYHSIHV-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360564388 457319450 /nfs/dbraw/zinc/31/94/50/457319450.db2.gz QQQFBWSGGVDHJF-SJKOYZFVSA-N 2 2 332.835 3.136 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360564388 457319452 /nfs/dbraw/zinc/31/94/52/457319452.db2.gz QQQFBWSGGVDHJF-SJKOYZFVSA-N 2 2 332.835 3.136 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000357104751 457324434 /nfs/dbraw/zinc/32/44/34/457324434.db2.gz XIAQOUMTUYMOPI-UHFFFAOYSA-N 2 2 342.487 3.125 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000342489164 457331813 /nfs/dbraw/zinc/33/18/13/457331813.db2.gz IIAIBMSGFKTRNN-UHFFFAOYSA-N 2 2 340.467 3.347 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000342546041 457359833 /nfs/dbraw/zinc/35/98/33/457359833.db2.gz RLNYXKOHJPPKMO-DABHTEOTSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000342546041 457359839 /nfs/dbraw/zinc/35/98/39/457359839.db2.gz RLNYXKOHJPPKMO-DABHTEOTSA-N 2 2 326.484 3.369 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817166 457413727 /nfs/dbraw/zinc/41/37/27/457413727.db2.gz YNDUQYWQIALTBG-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817166 457413736 /nfs/dbraw/zinc/41/37/36/457413736.db2.gz YNDUQYWQIALTBG-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817166 457413742 /nfs/dbraw/zinc/41/37/42/457413742.db2.gz YNDUQYWQIALTBG-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817166 457413745 /nfs/dbraw/zinc/41/37/45/457413745.db2.gz YNDUQYWQIALTBG-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc(C)c1F ZINC000360895397 457417577 /nfs/dbraw/zinc/41/75/77/457417577.db2.gz VOYLDWVMDWSKTE-WMZOPIPTSA-N 2 2 349.494 3.036 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc(C)c1F ZINC000360895397 457417580 /nfs/dbraw/zinc/41/75/80/457417580.db2.gz VOYLDWVMDWSKTE-WMZOPIPTSA-N 2 2 349.494 3.036 20 0 EGADLP CCC[N@H+](C)CC(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425106758 457438087 /nfs/dbraw/zinc/43/80/87/457438087.db2.gz LOYSRVQSSJGFBR-UHFFFAOYSA-N 2 2 336.439 3.434 20 0 EGADLP CCC[N@@H+](C)CC(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425106758 457438090 /nfs/dbraw/zinc/43/80/90/457438090.db2.gz LOYSRVQSSJGFBR-UHFFFAOYSA-N 2 2 336.439 3.434 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540066 457451220 /nfs/dbraw/zinc/45/12/20/457451220.db2.gz GTDVVOYAFABTJT-NRFANRHFSA-N 3 2 329.532 3.220 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540066 457451228 /nfs/dbraw/zinc/45/12/28/457451228.db2.gz GTDVVOYAFABTJT-NRFANRHFSA-N 3 2 329.532 3.220 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540066 457451236 /nfs/dbraw/zinc/45/12/36/457451236.db2.gz GTDVVOYAFABTJT-NRFANRHFSA-N 3 2 329.532 3.220 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540066 457451240 /nfs/dbraw/zinc/45/12/40/457451240.db2.gz GTDVVOYAFABTJT-NRFANRHFSA-N 3 2 329.532 3.220 20 0 EGADLP Cc1ccsc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360943510 457451866 /nfs/dbraw/zinc/45/18/66/457451866.db2.gz UZBQSIWTKMIOGB-QGZVFWFLSA-N 3 2 344.528 3.314 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000342686358 457456990 /nfs/dbraw/zinc/45/69/90/457456990.db2.gz AKBXDDJBVBIKMH-KBXCAEBGSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@H]1CCCC[NH2+]1 ZINC000395169375 457476257 /nfs/dbraw/zinc/47/62/57/457476257.db2.gz VVLXISGVEJNSDM-IAQYHMDHSA-N 2 2 339.277 3.004 20 0 EGADLP CCC[C@@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000342722928 457480286 /nfs/dbraw/zinc/48/02/86/457480286.db2.gz DAOWDNYUMKYFSG-LJQANCHMSA-N 2 2 326.488 3.215 20 0 EGADLP CCC[C@@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@H+]1Cc1ccccc1 ZINC000342722928 457480293 /nfs/dbraw/zinc/48/02/93/457480293.db2.gz DAOWDNYUMKYFSG-LJQANCHMSA-N 2 2 326.488 3.215 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)CC(=O)Nc1cccc(OC)c1 ZINC000347582671 457525840 /nfs/dbraw/zinc/52/58/40/457525840.db2.gz IGEGHKJPMWMXAQ-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)CC(=O)Nc1cccc(OC)c1 ZINC000347582671 457525847 /nfs/dbraw/zinc/52/58/47/457525847.db2.gz IGEGHKJPMWMXAQ-UHFFFAOYSA-N 2 2 341.455 3.292 20 0 EGADLP Cn1c(CCCNc2cc[nH+]cc2Br)[nH+]c2ccccc21 ZINC000342785455 457527986 /nfs/dbraw/zinc/52/79/86/457527986.db2.gz LMQFLZZPPVHSRR-UHFFFAOYSA-N 2 2 345.244 3.197 20 0 EGADLP CC(C)O[C@@H]1C[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C1(C)C ZINC000361034510 457530466 /nfs/dbraw/zinc/53/04/66/457530466.db2.gz XSYXVIBUFGGSPA-OKZBNKHCSA-N 2 2 346.519 3.226 20 0 EGADLP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352735048 457569445 /nfs/dbraw/zinc/56/94/45/457569445.db2.gz GDIVFYZDRIVDCT-YVEFUNNKSA-N 2 2 337.464 3.210 20 0 EGADLP CO[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000352752780 457582341 /nfs/dbraw/zinc/58/23/41/457582341.db2.gz YUJPSNPFBYDUAR-OAHLLOKOSA-N 2 2 339.892 3.335 20 0 EGADLP c1snnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364429089 457600869 /nfs/dbraw/zinc/60/08/69/457600869.db2.gz CWOFWYBZZZECEW-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP c1snnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364429089 457600873 /nfs/dbraw/zinc/60/08/73/457600873.db2.gz CWOFWYBZZZECEW-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000357791197 457690468 /nfs/dbraw/zinc/69/04/68/457690468.db2.gz LBUAFFCUWJAIJH-DLBZAZTESA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000357791197 457690470 /nfs/dbraw/zinc/69/04/70/457690470.db2.gz LBUAFFCUWJAIJH-DLBZAZTESA-N 2 2 340.471 3.031 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCC2 ZINC000370669689 457696604 /nfs/dbraw/zinc/69/66/04/457696604.db2.gz PLCSWSZUAWVNBJ-CQSZACIVSA-N 2 2 339.468 3.453 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1ccc3c(c1)OCO3)CCC2 ZINC000370683019 457699669 /nfs/dbraw/zinc/69/96/69/457699669.db2.gz SSRKUHPUVIUOKU-WMLDXEAASA-N 2 2 341.455 3.409 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000361349558 457702020 /nfs/dbraw/zinc/70/20/20/457702020.db2.gz WJXQDYUBOQEPSH-QKLQHJQFSA-N 2 2 327.472 3.218 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000361349558 457702025 /nfs/dbraw/zinc/70/20/25/457702025.db2.gz WJXQDYUBOQEPSH-QKLQHJQFSA-N 2 2 327.472 3.218 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000357820930 457702264 /nfs/dbraw/zinc/70/22/64/457702264.db2.gz GJCPFGLNPHHXOW-UHFFFAOYSA-N 2 2 340.471 3.177 20 0 EGADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912515 457732293 /nfs/dbraw/zinc/73/22/93/457732293.db2.gz XSZACTNBURYAHA-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912515 457732294 /nfs/dbraw/zinc/73/22/94/457732294.db2.gz XSZACTNBURYAHA-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912515 457732295 /nfs/dbraw/zinc/73/22/95/457732295.db2.gz XSZACTNBURYAHA-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912515 457732296 /nfs/dbraw/zinc/73/22/96/457732296.db2.gz XSZACTNBURYAHA-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019163 457741501 /nfs/dbraw/zinc/74/15/01/457741501.db2.gz RZUWKXQTKYUBQE-DYVFJYSZSA-N 2 2 335.879 3.131 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358019163 457741506 /nfs/dbraw/zinc/74/15/06/457741506.db2.gz RZUWKXQTKYUBQE-DYVFJYSZSA-N 2 2 335.879 3.131 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000358036785 457747035 /nfs/dbraw/zinc/74/70/35/457747035.db2.gz PURIRANFHSOBQO-MRXNPFEDSA-N 2 2 336.545 3.464 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000358036785 457747043 /nfs/dbraw/zinc/74/70/43/457747043.db2.gz PURIRANFHSOBQO-MRXNPFEDSA-N 2 2 336.545 3.464 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000358053122 457755430 /nfs/dbraw/zinc/75/54/30/457755430.db2.gz ZTZGSWMBKMINQT-BPUTZDHNSA-N 2 2 328.485 3.483 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000358053122 457755439 /nfs/dbraw/zinc/75/54/39/457755439.db2.gz ZTZGSWMBKMINQT-BPUTZDHNSA-N 2 2 328.485 3.483 20 0 EGADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665444 457784773 /nfs/dbraw/zinc/78/47/73/457784773.db2.gz JZTQRQQUNCAOBA-VDGAXYAQSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665444 457784774 /nfs/dbraw/zinc/78/47/74/457784774.db2.gz JZTQRQQUNCAOBA-VDGAXYAQSA-N 2 2 349.563 3.218 20 0 EGADLP C[N@H+]([C@H]1CCc2c1cc(Cl)cc2Cl)C1CC[NH+](CCO)CC1 ZINC000443627076 457790575 /nfs/dbraw/zinc/79/05/75/457790575.db2.gz KAXCRJZXFXTGCJ-KRWDZBQOSA-N 2 2 343.298 3.369 20 0 EGADLP C[N@@H+]([C@H]1CCc2c1cc(Cl)cc2Cl)C1CC[NH+](CCO)CC1 ZINC000443627076 457790580 /nfs/dbraw/zinc/79/05/80/457790580.db2.gz KAXCRJZXFXTGCJ-KRWDZBQOSA-N 2 2 343.298 3.369 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411216743 457832364 /nfs/dbraw/zinc/83/23/64/457832364.db2.gz FPFXDKIKKAAYPB-JYWFKMLOSA-N 2 2 345.506 3.172 20 0 EGADLP c1cnn(-c2ccccc2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000358213595 457864130 /nfs/dbraw/zinc/86/41/30/457864130.db2.gz AYBHHUUUCRAIIV-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000371331408 457869849 /nfs/dbraw/zinc/86/98/49/457869849.db2.gz HMRFRDWVJQAZGS-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000371331408 457869854 /nfs/dbraw/zinc/86/98/54/457869854.db2.gz HMRFRDWVJQAZGS-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000361824755 457887105 /nfs/dbraw/zinc/88/71/05/457887105.db2.gz GMZLXPRMMOJCHU-GOSISDBHSA-N 2 2 341.455 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000361824755 457887109 /nfs/dbraw/zinc/88/71/09/457887109.db2.gz GMZLXPRMMOJCHU-GOSISDBHSA-N 2 2 341.455 3.487 20 0 EGADLP CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361840960 457900107 /nfs/dbraw/zinc/90/01/07/457900107.db2.gz ACUATNHARMTZKK-IBGZPJMESA-N 2 2 341.455 3.487 20 0 EGADLP CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361840960 457900113 /nfs/dbraw/zinc/90/01/13/457900113.db2.gz ACUATNHARMTZKK-IBGZPJMESA-N 2 2 341.455 3.487 20 0 EGADLP C[C@H]1C[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)S1=O ZINC000411617811 457930678 /nfs/dbraw/zinc/93/06/78/457930678.db2.gz HLTWQUOWQHXOJV-IRXDYDNUSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434102648 457947253 /nfs/dbraw/zinc/94/72/53/457947253.db2.gz TVVUVSILTLGFOU-IAGOWNOFSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434102648 457947260 /nfs/dbraw/zinc/94/72/60/457947260.db2.gz TVVUVSILTLGFOU-IAGOWNOFSA-N 2 2 331.508 3.247 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000411716316 457959292 /nfs/dbraw/zinc/95/92/92/457959292.db2.gz DTQYZPVLYKWOTF-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP COc1cc(C)nc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000411716316 457959299 /nfs/dbraw/zinc/95/92/99/457959299.db2.gz DTQYZPVLYKWOTF-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000367863978 457991603 /nfs/dbraw/zinc/99/16/03/457991603.db2.gz HODKDVZLPSDZFQ-SFHVURJKSA-N 2 2 349.544 3.120 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000367863978 457991608 /nfs/dbraw/zinc/99/16/08/457991608.db2.gz HODKDVZLPSDZFQ-SFHVURJKSA-N 2 2 349.544 3.120 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663250 458010056 /nfs/dbraw/zinc/01/00/56/458010056.db2.gz JFAQIVIRZGRFLD-NVXWUHKLSA-N 2 2 342.439 3.239 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663250 458010057 /nfs/dbraw/zinc/01/00/57/458010057.db2.gz JFAQIVIRZGRFLD-NVXWUHKLSA-N 2 2 342.439 3.239 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000445238633 458030898 /nfs/dbraw/zinc/03/08/98/458030898.db2.gz PXTBXLAILPTQTO-QZTJIDSGSA-N 2 2 328.500 3.281 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000445238633 458030906 /nfs/dbraw/zinc/03/09/06/458030906.db2.gz PXTBXLAILPTQTO-QZTJIDSGSA-N 2 2 328.500 3.281 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)sc2C)c(OC)c1 ZINC000434659174 458030991 /nfs/dbraw/zinc/03/09/91/458030991.db2.gz MYAUFFPRJGOPLK-UHFFFAOYSA-N 2 2 347.484 3.059 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435373086 458123917 /nfs/dbraw/zinc/12/39/17/458123917.db2.gz TWKAEBPUARCFEO-ZDUSSCGKSA-N 2 2 331.847 3.371 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000435373086 458123919 /nfs/dbraw/zinc/12/39/19/458123919.db2.gz TWKAEBPUARCFEO-ZDUSSCGKSA-N 2 2 331.847 3.371 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000435375525 458125101 /nfs/dbraw/zinc/12/51/01/458125101.db2.gz MYJFMYFGEIVGQI-CQSZACIVSA-N 2 2 330.476 3.093 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000435375525 458125105 /nfs/dbraw/zinc/12/51/05/458125105.db2.gz MYJFMYFGEIVGQI-CQSZACIVSA-N 2 2 330.476 3.093 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000435385085 458132073 /nfs/dbraw/zinc/13/20/73/458132073.db2.gz PMDKWBWLUBVWFL-UXHICEINSA-N 2 2 340.467 3.300 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000435385085 458132075 /nfs/dbraw/zinc/13/20/75/458132075.db2.gz PMDKWBWLUBVWFL-UXHICEINSA-N 2 2 340.467 3.300 20 0 EGADLP COc1ccsc1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425620 458142683 /nfs/dbraw/zinc/14/26/83/458142683.db2.gz DSYAWYBJWULMOO-HNNXBMFYSA-N 2 2 349.525 3.358 20 0 EGADLP COc1ccsc1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425620 458142688 /nfs/dbraw/zinc/14/26/88/458142688.db2.gz DSYAWYBJWULMOO-HNNXBMFYSA-N 2 2 349.525 3.358 20 0 EGADLP COc1ccsc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425621 458143053 /nfs/dbraw/zinc/14/30/53/458143053.db2.gz DSYAWYBJWULMOO-OAHLLOKOSA-N 2 2 349.525 3.358 20 0 EGADLP COc1ccsc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425621 458143060 /nfs/dbraw/zinc/14/30/60/458143060.db2.gz DSYAWYBJWULMOO-OAHLLOKOSA-N 2 2 349.525 3.358 20 0 EGADLP Cc1ccc2[nH+]c(CN(Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cn2c1 ZINC000435614028 458172535 /nfs/dbraw/zinc/17/25/35/458172535.db2.gz DKYDXOYJRGGJST-FQEVSTJZSA-N 2 2 349.482 3.182 20 0 EGADLP Cc1ccc(C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000358726349 458173956 /nfs/dbraw/zinc/17/39/56/458173956.db2.gz QJWZGHQMNCFVEG-HOTGVXAUSA-N 2 2 339.439 3.347 20 0 EGADLP CC(C)c1noc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435698026 458186169 /nfs/dbraw/zinc/18/61/69/458186169.db2.gz UWGVRAUPQIPUCZ-HNNXBMFYSA-N 2 2 346.500 3.399 20 0 EGADLP CC(C)c1noc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435698026 458186176 /nfs/dbraw/zinc/18/61/76/458186176.db2.gz UWGVRAUPQIPUCZ-HNNXBMFYSA-N 2 2 346.500 3.399 20 0 EGADLP CN(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000358758312 458197286 /nfs/dbraw/zinc/19/72/86/458197286.db2.gz RYIYFHHLYAXXIT-UHFFFAOYSA-N 2 2 349.438 3.256 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)C1 ZINC000376175430 458222705 /nfs/dbraw/zinc/22/27/05/458222705.db2.gz TYQXAOBIGHGNEV-OAHLLOKOSA-N 2 2 344.890 3.104 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)C1 ZINC000376175430 458222713 /nfs/dbraw/zinc/22/27/13/458222713.db2.gz TYQXAOBIGHGNEV-OAHLLOKOSA-N 2 2 344.890 3.104 20 0 EGADLP CC1(C)Cc2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)c2O1 ZINC000369539850 458256918 /nfs/dbraw/zinc/25/69/18/458256918.db2.gz KNLBEYAGOSCRIG-UHFFFAOYSA-N 2 2 334.423 3.271 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065491 458257941 /nfs/dbraw/zinc/25/79/41/458257941.db2.gz UBPQXGJWSDSZHQ-IXDOHACOSA-N 2 2 349.523 3.164 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[NH+](CC)CC)CCC2 ZINC000447509300 458302153 /nfs/dbraw/zinc/30/21/53/458302153.db2.gz FIPRYYOSZKEYOJ-HNNXBMFYSA-N 2 2 336.476 3.464 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414897212 458326559 /nfs/dbraw/zinc/32/65/59/458326559.db2.gz QQJYHHNITYVLPE-RTBURBONSA-N 2 2 344.430 3.078 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444622 458333602 /nfs/dbraw/zinc/33/36/02/458333602.db2.gz OLVJJWPHKYSDSW-RTWAWAEBSA-N 2 2 346.515 3.072 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444622 458333611 /nfs/dbraw/zinc/33/36/11/458333611.db2.gz OLVJJWPHKYSDSW-RTWAWAEBSA-N 2 2 346.515 3.072 20 0 EGADLP CC(C)[C@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698449 458360137 /nfs/dbraw/zinc/36/01/37/458360137.db2.gz NKCIERYYOSVXKQ-WOJBJXKFSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698449 458360143 /nfs/dbraw/zinc/36/01/43/458360143.db2.gz NKCIERYYOSVXKQ-WOJBJXKFSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698449 458360147 /nfs/dbraw/zinc/36/01/47/458360147.db2.gz NKCIERYYOSVXKQ-WOJBJXKFSA-N 2 2 348.556 3.351 20 0 EGADLP CC(C)[C@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429698449 458360154 /nfs/dbraw/zinc/36/01/54/458360154.db2.gz NKCIERYYOSVXKQ-WOJBJXKFSA-N 2 2 348.556 3.351 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459451679 458375760 /nfs/dbraw/zinc/37/57/60/458375760.db2.gz LNPGFKXGKSUXQD-VQTJNVASSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459451679 458375764 /nfs/dbraw/zinc/37/57/64/458375764.db2.gz LNPGFKXGKSUXQD-VQTJNVASSA-N 2 2 344.886 3.108 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373074807 458392389 /nfs/dbraw/zinc/39/23/89/458392389.db2.gz PZMJOCWMPRMNHE-KRWDZBQOSA-N 2 2 334.508 3.028 20 0 EGADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124927 458405346 /nfs/dbraw/zinc/40/53/46/458405346.db2.gz RYYFXHBPGVZXBO-CKEIUWERSA-N 2 2 332.879 3.150 20 0 EGADLP C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C[C@@H](C)C1 ZINC000430124927 458405349 /nfs/dbraw/zinc/40/53/49/458405349.db2.gz RYYFXHBPGVZXBO-CKEIUWERSA-N 2 2 332.879 3.150 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000430134350 458407547 /nfs/dbraw/zinc/40/75/47/458407547.db2.gz ORVXPVAZBFCGAQ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000430134350 458407550 /nfs/dbraw/zinc/40/75/50/458407550.db2.gz ORVXPVAZBFCGAQ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCC ZINC000430134350 458407554 /nfs/dbraw/zinc/40/75/54/458407554.db2.gz ORVXPVAZBFCGAQ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000430134350 458407555 /nfs/dbraw/zinc/40/75/55/458407555.db2.gz ORVXPVAZBFCGAQ-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423433056 458432201 /nfs/dbraw/zinc/43/22/01/458432201.db2.gz OZUYHPYHNBENDJ-BEFAXECRSA-N 2 2 340.471 3.347 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CCC[NH2+]1 ZINC000423434486 458432462 /nfs/dbraw/zinc/43/24/62/458432462.db2.gz SAVIQXGNQVNKIB-OXJNMPFZSA-N 2 2 325.456 3.168 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000373217697 458433545 /nfs/dbraw/zinc/43/35/45/458433545.db2.gz FOXJLZWWSLBHDJ-QGZVFWFLSA-N 2 2 343.471 3.345 20 0 EGADLP CCOCc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000373217697 458433550 /nfs/dbraw/zinc/43/35/50/458433550.db2.gz FOXJLZWWSLBHDJ-QGZVFWFLSA-N 2 2 343.471 3.345 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423437878 458433820 /nfs/dbraw/zinc/43/38/20/458433820.db2.gz ULKMRECKLKXKCH-CJNGLKHVSA-N 2 2 346.393 3.047 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000423440634 458433856 /nfs/dbraw/zinc/43/38/56/458433856.db2.gz VTBSBMSKMKSJLV-MEDUHNTESA-N 2 2 348.821 3.361 20 0 EGADLP Cc1ncc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000373234309 458439675 /nfs/dbraw/zinc/43/96/75/458439675.db2.gz VOJJITUSIBNBFC-QGZVFWFLSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000373234309 458439680 /nfs/dbraw/zinc/43/96/80/458439680.db2.gz VOJJITUSIBNBFC-QGZVFWFLSA-N 2 2 335.455 3.294 20 0 EGADLP Fc1ccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000423514014 458447259 /nfs/dbraw/zinc/44/72/59/458447259.db2.gz CRNXHYOGRDNTOR-QFBILLFUSA-N 2 2 348.849 3.341 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511202 458447551 /nfs/dbraw/zinc/44/75/51/458447551.db2.gz KATLOXQFLGNULM-BBRMVZONSA-N 2 2 330.303 3.184 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000423515955 458449228 /nfs/dbraw/zinc/44/92/28/458449228.db2.gz XROGFRXOQHMYFQ-LRDDRELGSA-N 2 2 332.469 3.448 20 0 EGADLP COc1cccc2c1C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000459702597 458451213 /nfs/dbraw/zinc/45/12/13/458451213.db2.gz NZRDMHMOQRIKMY-AWEZNQCLSA-N 2 2 325.437 3.199 20 0 EGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423543290 458456336 /nfs/dbraw/zinc/45/63/36/458456336.db2.gz BUGIADSUPPVYAF-QZTJIDSGSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000430537140 458457596 /nfs/dbraw/zinc/45/75/96/458457596.db2.gz GJKOMWPYEAFZHX-KCQAQPDRSA-N 2 2 348.878 3.434 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000430537140 458457598 /nfs/dbraw/zinc/45/75/98/458457598.db2.gz GJKOMWPYEAFZHX-KCQAQPDRSA-N 2 2 348.878 3.434 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000430539783 458457829 /nfs/dbraw/zinc/45/78/29/458457829.db2.gz FVBABBITWAICIP-PBHICJAKSA-N 2 2 339.549 3.257 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000430539783 458457833 /nfs/dbraw/zinc/45/78/33/458457833.db2.gz FVBABBITWAICIP-PBHICJAKSA-N 2 2 339.549 3.257 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000430553151 458459909 /nfs/dbraw/zinc/45/99/09/458459909.db2.gz CRXDTXIDPXIISA-MEDUHNTESA-N 2 2 346.302 3.134 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000430560978 458462215 /nfs/dbraw/zinc/46/22/15/458462215.db2.gz JHSQHBZRGIJHJI-HOTGVXAUSA-N 2 2 349.544 3.209 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000430560978 458462218 /nfs/dbraw/zinc/46/22/18/458462218.db2.gz JHSQHBZRGIJHJI-HOTGVXAUSA-N 2 2 349.544 3.209 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430577956 458465166 /nfs/dbraw/zinc/46/51/66/458465166.db2.gz YKQLXRCDPPZFIX-TUAOUCFPSA-N 2 2 344.286 3.380 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430577956 458465171 /nfs/dbraw/zinc/46/51/71/458465171.db2.gz YKQLXRCDPPZFIX-TUAOUCFPSA-N 2 2 344.286 3.380 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577394 458465410 /nfs/dbraw/zinc/46/54/10/458465410.db2.gz UQMSWNXDIJOQKT-RTBURBONSA-N 2 2 331.504 3.045 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577394 458465413 /nfs/dbraw/zinc/46/54/13/458465413.db2.gz UQMSWNXDIJOQKT-RTBURBONSA-N 2 2 331.504 3.045 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430598399 458468703 /nfs/dbraw/zinc/46/87/03/458468703.db2.gz NZXZOKRXQJXIGU-ZMSDIMECSA-N 2 2 343.471 3.011 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430598399 458468708 /nfs/dbraw/zinc/46/87/08/458468708.db2.gz NZXZOKRXQJXIGU-ZMSDIMECSA-N 2 2 343.471 3.011 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430623033 458473205 /nfs/dbraw/zinc/47/32/05/458473205.db2.gz GGOQFGLCOYVPBF-CVEARBPZSA-N 2 2 331.504 3.070 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430623033 458473209 /nfs/dbraw/zinc/47/32/09/458473209.db2.gz GGOQFGLCOYVPBF-CVEARBPZSA-N 2 2 331.504 3.070 20 0 EGADLP Cn1c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2[nH+]c1C1CC1 ZINC000423812176 458488029 /nfs/dbraw/zinc/48/80/29/458488029.db2.gz OMORBVFJHQEJKM-UHFFFAOYSA-N 2 2 326.444 3.169 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@H]1CCC[NH2+]C1 ZINC000423813354 458489236 /nfs/dbraw/zinc/48/92/36/458489236.db2.gz QJSAZANNCLECJN-ZFWWWQNUSA-N 2 2 340.471 3.415 20 0 EGADLP C[C@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC[NH2+]1 ZINC000423845490 458496564 /nfs/dbraw/zinc/49/65/64/458496564.db2.gz NAZPBTWKUBKWBD-HXUWFJFHSA-N 2 2 336.439 3.073 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430938591 458508017 /nfs/dbraw/zinc/50/80/17/458508017.db2.gz IKIWMNLQLGDMRT-APWZRJJASA-N 2 2 335.536 3.150 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430938591 458508019 /nfs/dbraw/zinc/50/80/19/458508019.db2.gz IKIWMNLQLGDMRT-APWZRJJASA-N 2 2 335.536 3.150 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000431075701 458525579 /nfs/dbraw/zinc/52/55/79/458525579.db2.gz GHXSESIRBNLRHS-CYBMUJFWSA-N 2 2 334.851 3.124 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000431075701 458525583 /nfs/dbraw/zinc/52/55/83/458525583.db2.gz GHXSESIRBNLRHS-CYBMUJFWSA-N 2 2 334.851 3.124 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431144352 458534925 /nfs/dbraw/zinc/53/49/25/458534925.db2.gz RWVUPKPGPZUZPC-CRAIPNDOSA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431144352 458534930 /nfs/dbraw/zinc/53/49/30/458534930.db2.gz RWVUPKPGPZUZPC-CRAIPNDOSA-N 2 2 339.439 3.124 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469021917 458549901 /nfs/dbraw/zinc/54/99/01/458549901.db2.gz NKINBPSVUZEQBY-PXNSSMCTSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469021917 458549902 /nfs/dbraw/zinc/54/99/02/458549902.db2.gz NKINBPSVUZEQBY-PXNSSMCTSA-N 2 2 340.515 3.334 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Br ZINC000377890313 458566247 /nfs/dbraw/zinc/56/62/47/458566247.db2.gz UIBGVALGMABPGM-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Br ZINC000377890313 458566252 /nfs/dbraw/zinc/56/62/52/458566252.db2.gz UIBGVALGMABPGM-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000424140833 458569438 /nfs/dbraw/zinc/56/94/38/458569438.db2.gz FPTLPGPQPKWUEI-RBUKOAKNSA-N 2 2 338.442 3.131 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760382 458594442 /nfs/dbraw/zinc/59/44/42/458594442.db2.gz ZYHBFEXQIXWIDZ-BEFAXECRSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760382 458594449 /nfs/dbraw/zinc/59/44/49/458594449.db2.gz ZYHBFEXQIXWIDZ-BEFAXECRSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294473 458606753 /nfs/dbraw/zinc/60/67/53/458606753.db2.gz OWEKGDFQXFPJCX-MDASCCDHSA-N 2 2 326.488 3.205 20 0 EGADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424294473 458606759 /nfs/dbraw/zinc/60/67/59/458606759.db2.gz OWEKGDFQXFPJCX-MDASCCDHSA-N 2 2 326.488 3.205 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000373818454 458612549 /nfs/dbraw/zinc/61/25/49/458612549.db2.gz MPIDWUHYAACRTO-JCGIZDLHSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000373818454 458612553 /nfs/dbraw/zinc/61/25/53/458612553.db2.gz MPIDWUHYAACRTO-JCGIZDLHSA-N 2 2 338.879 3.032 20 0 EGADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000462413171 458618726 /nfs/dbraw/zinc/61/87/26/458618726.db2.gz INRNTURFQXHIDK-NRFANRHFSA-N 2 2 347.547 3.166 20 0 EGADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000462413171 458618731 /nfs/dbraw/zinc/61/87/31/458618731.db2.gz INRNTURFQXHIDK-NRFANRHFSA-N 2 2 347.547 3.166 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000424378921 458629451 /nfs/dbraw/zinc/62/94/51/458629451.db2.gz UISYWRKNFQTNGS-IUIKQTSFSA-N 2 2 333.867 3.150 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 ZINC000546564683 458638386 /nfs/dbraw/zinc/63/83/86/458638386.db2.gz WOBBHKZXTUPHJW-NRFANRHFSA-N 2 2 342.483 3.400 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1 ZINC000546564683 458638389 /nfs/dbraw/zinc/63/83/89/458638389.db2.gz WOBBHKZXTUPHJW-NRFANRHFSA-N 2 2 342.483 3.400 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790814 458654868 /nfs/dbraw/zinc/65/48/68/458654868.db2.gz JCERIYJSJNEHNI-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790814 458654875 /nfs/dbraw/zinc/65/48/75/458654875.db2.gz JCERIYJSJNEHNI-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790814 458654879 /nfs/dbraw/zinc/65/48/79/458654879.db2.gz JCERIYJSJNEHNI-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@@H]2C1 ZINC000462790814 458654884 /nfs/dbraw/zinc/65/48/84/458654884.db2.gz JCERIYJSJNEHNI-SJLPKXTDSA-N 2 2 330.472 3.168 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Br)c1 ZINC000494410831 458671891 /nfs/dbraw/zinc/67/18/91/458671891.db2.gz HLPRNRYIILJYGZ-WFASDCNBSA-N 2 2 334.261 3.354 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000432115484 458683788 /nfs/dbraw/zinc/68/37/88/458683788.db2.gz MSDIBOYRXGDKEO-CQSZACIVSA-N 2 2 340.402 3.489 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000432115484 458683794 /nfs/dbraw/zinc/68/37/94/458683794.db2.gz MSDIBOYRXGDKEO-CQSZACIVSA-N 2 2 340.402 3.489 20 0 EGADLP CC(C)[C@H](C[NH2+]Cc1cncc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000494593063 458707983 /nfs/dbraw/zinc/70/79/83/458707983.db2.gz VXCAYAXUDHNFFA-FQEVSTJZSA-N 2 2 327.447 3.393 20 0 EGADLP CC(C)[C@H](C[NH2+]Cc1cncc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000494593063 458707992 /nfs/dbraw/zinc/70/79/92/458707992.db2.gz VXCAYAXUDHNFFA-FQEVSTJZSA-N 2 2 327.447 3.393 20 0 EGADLP Cc1ccc(-c2ncc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)s2)o1 ZINC000432355648 458722726 /nfs/dbraw/zinc/72/27/26/458722726.db2.gz GANCVRQKVKWGHX-HNNXBMFYSA-N 2 2 349.500 3.302 20 0 EGADLP Cc1ccc(-c2ncc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)s2)o1 ZINC000432355648 458722729 /nfs/dbraw/zinc/72/27/29/458722729.db2.gz GANCVRQKVKWGHX-HNNXBMFYSA-N 2 2 349.500 3.302 20 0 EGADLP CCC(CC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000464317460 458742384 /nfs/dbraw/zinc/74/23/84/458742384.db2.gz JPQLDBPOBLOZPD-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP CCC(CC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464317460 458742390 /nfs/dbraw/zinc/74/23/90/458742390.db2.gz JPQLDBPOBLOZPD-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000472055494 458765309 /nfs/dbraw/zinc/76/53/09/458765309.db2.gz ZWCFJUFWPKGNSL-IYBDPMFKSA-N 2 2 329.488 3.374 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000472055494 458765316 /nfs/dbraw/zinc/76/53/16/458765316.db2.gz ZWCFJUFWPKGNSL-IYBDPMFKSA-N 2 2 329.488 3.374 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828539 458801388 /nfs/dbraw/zinc/80/13/88/458801388.db2.gz ZHIXZBSVHLNYBO-QUCCMNQESA-N 3 2 326.488 3.164 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828539 458801393 /nfs/dbraw/zinc/80/13/93/458801393.db2.gz ZHIXZBSVHLNYBO-QUCCMNQESA-N 3 2 326.488 3.164 20 0 EGADLP COc1cccc2c(NCCC[N@@H+]3CCCO[C@H](C)C3)cc[nH+]c12 ZINC000432879332 458805620 /nfs/dbraw/zinc/80/56/20/458805620.db2.gz SUHSOTPAWAJOHV-OAHLLOKOSA-N 2 2 329.444 3.156 20 0 EGADLP COc1cccc2c(NCCC[N@H+]3CCCO[C@H](C)C3)cc[nH+]c12 ZINC000432879332 458805622 /nfs/dbraw/zinc/80/56/22/458805622.db2.gz SUHSOTPAWAJOHV-OAHLLOKOSA-N 2 2 329.444 3.156 20 0 EGADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530906972 458842738 /nfs/dbraw/zinc/84/27/38/458842738.db2.gz YTJABQMJZUDSJN-INIZCTEOSA-N 2 2 338.455 3.465 20 0 EGADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530906972 458842744 /nfs/dbraw/zinc/84/27/44/458842744.db2.gz YTJABQMJZUDSJN-INIZCTEOSA-N 2 2 338.455 3.465 20 0 EGADLP C[C@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000495433707 458855441 /nfs/dbraw/zinc/85/54/41/458855441.db2.gz IWMMGGBJPWYAAA-LSDHHAIUSA-N 2 2 336.480 3.069 20 0 EGADLP C[C@H]1CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000495433707 458855444 /nfs/dbraw/zinc/85/54/44/458855444.db2.gz IWMMGGBJPWYAAA-LSDHHAIUSA-N 2 2 336.480 3.069 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1sccc1Br ZINC000548307509 458863270 /nfs/dbraw/zinc/86/32/70/458863270.db2.gz QPVPJCFPASYHKU-ZJUUUORDSA-N 2 2 326.263 3.373 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000474264449 458872704 /nfs/dbraw/zinc/87/27/04/458872704.db2.gz FMBQHLMZUPBWEW-GOSISDBHSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000474264449 458872710 /nfs/dbraw/zinc/87/27/10/458872710.db2.gz FMBQHLMZUPBWEW-GOSISDBHSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000474264449 458872712 /nfs/dbraw/zinc/87/27/12/458872712.db2.gz FMBQHLMZUPBWEW-GOSISDBHSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000474264449 458872718 /nfs/dbraw/zinc/87/27/18/458872718.db2.gz FMBQHLMZUPBWEW-GOSISDBHSA-N 2 2 326.488 3.487 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1ccccc1 ZINC000457293063 458914503 /nfs/dbraw/zinc/91/45/03/458914503.db2.gz PFDVIXPBYFGNAD-MRXNPFEDSA-N 2 2 346.500 3.226 20 0 EGADLP CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000495706022 458924775 /nfs/dbraw/zinc/92/47/75/458924775.db2.gz KDHLIWJQNRRINU-INIZCTEOSA-N 2 2 336.480 3.043 20 0 EGADLP CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000495706022 458924779 /nfs/dbraw/zinc/92/47/79/458924779.db2.gz KDHLIWJQNRRINU-INIZCTEOSA-N 2 2 336.480 3.043 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000475339883 458936813 /nfs/dbraw/zinc/93/68/13/458936813.db2.gz WHYHBVSXGXXVTI-GFOJFJKKSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000475339883 458936818 /nfs/dbraw/zinc/93/68/18/458936818.db2.gz WHYHBVSXGXXVTI-GFOJFJKKSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441452898 458947103 /nfs/dbraw/zinc/94/71/03/458947103.db2.gz VAFSYXGBNXWCCX-RTBURBONSA-N 2 2 337.552 3.125 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441452898 458947105 /nfs/dbraw/zinc/94/71/05/458947105.db2.gz VAFSYXGBNXWCCX-RTBURBONSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000519831615 459013982 /nfs/dbraw/zinc/01/39/82/459013982.db2.gz CXLRMBNFACMWMB-KDOFPFPSSA-N 2 2 333.863 3.468 20 0 EGADLP C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCCc1c[nH+]cn1C ZINC000519831615 459013987 /nfs/dbraw/zinc/01/39/87/459013987.db2.gz CXLRMBNFACMWMB-KDOFPFPSSA-N 2 2 333.863 3.468 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408171 459028331 /nfs/dbraw/zinc/02/83/31/459028331.db2.gz KAYJFHDHCXVBLM-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408171 459028334 /nfs/dbraw/zinc/02/83/34/459028334.db2.gz KAYJFHDHCXVBLM-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408171 459028339 /nfs/dbraw/zinc/02/83/39/459028339.db2.gz KAYJFHDHCXVBLM-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408171 459028342 /nfs/dbraw/zinc/02/83/42/459028342.db2.gz KAYJFHDHCXVBLM-QGZVFWFLSA-N 2 2 326.431 3.022 20 0 EGADLP C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442799760 459038426 /nfs/dbraw/zinc/03/84/26/459038426.db2.gz ZUMXNCMWTHBMFS-BYICEURKSA-N 2 2 336.483 3.076 20 0 EGADLP C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442799760 459038430 /nfs/dbraw/zinc/03/84/30/459038430.db2.gz ZUMXNCMWTHBMFS-BYICEURKSA-N 2 2 336.483 3.076 20 0 EGADLP CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000567093820 459046278 /nfs/dbraw/zinc/04/62/78/459046278.db2.gz HEIRLWBJRLICAJ-FGTMMUONSA-N 2 2 339.487 3.319 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000577558686 459050319 /nfs/dbraw/zinc/05/03/19/459050319.db2.gz HAXORYIKQPKIRY-UHFFFAOYSA-N 2 2 342.487 3.240 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3CCCCC[NH2+]3)ccc2n1C1CC1 ZINC000520584217 459074682 /nfs/dbraw/zinc/07/46/82/459074682.db2.gz GEDCBYZICFWSIX-MRXNPFEDSA-N 2 2 340.471 3.082 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000479283599 459131605 /nfs/dbraw/zinc/13/16/05/459131605.db2.gz NSODMVUCOWRIKG-IOASZLSFSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000479283599 459131612 /nfs/dbraw/zinc/13/16/12/459131612.db2.gz NSODMVUCOWRIKG-IOASZLSFSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CCO)C1CCCCC1 ZINC000479620806 459154386 /nfs/dbraw/zinc/15/43/86/459154386.db2.gz ZFFLOHLSOHDLCY-UIFIKXQLSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CCO)C1CCCCC1 ZINC000479620806 459154390 /nfs/dbraw/zinc/15/43/90/459154390.db2.gz ZFFLOHLSOHDLCY-UIFIKXQLSA-N 2 2 330.516 3.428 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCCC[C@H]3C)c2cc1C ZINC000567770171 459164936 /nfs/dbraw/zinc/16/49/36/459164936.db2.gz ACTVRDCZSFTEFR-FHLIZLRMSA-N 2 2 329.488 3.430 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479777230 459166111 /nfs/dbraw/zinc/16/61/11/459166111.db2.gz OOTRBWZOWRGAGA-ZVDOUQERSA-N 2 2 349.478 3.134 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479777230 459166113 /nfs/dbraw/zinc/16/61/13/459166113.db2.gz OOTRBWZOWRGAGA-ZVDOUQERSA-N 2 2 349.478 3.134 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244962 459170604 /nfs/dbraw/zinc/17/06/04/459170604.db2.gz XAIZLJWQSRDDSZ-SMDDNHRTSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244962 459170610 /nfs/dbraw/zinc/17/06/10/459170610.db2.gz XAIZLJWQSRDDSZ-SMDDNHRTSA-N 2 2 349.276 3.151 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000578322825 459182320 /nfs/dbraw/zinc/18/23/20/459182320.db2.gz MXWMZXUDAAFPLF-RTBURBONSA-N 2 2 332.488 3.338 20 0 EGADLP CCOCc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000578322825 459182327 /nfs/dbraw/zinc/18/23/27/459182327.db2.gz MXWMZXUDAAFPLF-RTBURBONSA-N 2 2 332.488 3.338 20 0 EGADLP Brc1ccc2oc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2c1 ZINC000578338719 459185134 /nfs/dbraw/zinc/18/51/34/459185134.db2.gz ULIVQSLMIVMMSF-CYBMUJFWSA-N 2 2 346.228 3.496 20 0 EGADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccsc2Cl)c2ccccc2)CC1 ZINC000558761042 459209518 /nfs/dbraw/zinc/20/95/18/459209518.db2.gz UMQIYCBYSJDMLD-KRWDZBQOSA-N 2 2 349.931 3.480 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C[C@@H](C)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000533304037 459217773 /nfs/dbraw/zinc/21/77/73/459217773.db2.gz RQJUNHNUHYLKLV-OWZKRDHZSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C[C@@H](C)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000533304037 459217779 /nfs/dbraw/zinc/21/77/79/459217779.db2.gz RQJUNHNUHYLKLV-OWZKRDHZSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C)C[C@@H]1COCC[N@H+]1C[C@@H](C)C[NH+]1CCOC[C@@H]1CC(C)C ZINC000533304037 459217784 /nfs/dbraw/zinc/21/77/84/459217784.db2.gz RQJUNHNUHYLKLV-OWZKRDHZSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H](C)C[NH+]1CCOC[C@@H]1CC(C)C ZINC000533304037 459217787 /nfs/dbraw/zinc/21/77/87/459217787.db2.gz RQJUNHNUHYLKLV-OWZKRDHZSA-N 2 2 340.552 3.116 20 0 EGADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cc[nH+]c1 ZINC000578538037 459219913 /nfs/dbraw/zinc/21/99/13/459219913.db2.gz NMHPFWCPCRNRCH-LMMKCTJWSA-N 2 2 340.471 3.004 20 0 EGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccn1 ZINC000559246928 459244713 /nfs/dbraw/zinc/24/47/13/459244713.db2.gz JJUHCIRFAMDZIT-HOTGVXAUSA-N 2 2 340.471 3.361 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000559300064 459250788 /nfs/dbraw/zinc/25/07/88/459250788.db2.gz JKBDLLYMCSPGKT-SCTDSRPQSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000559300064 459250796 /nfs/dbraw/zinc/25/07/96/459250796.db2.gz JKBDLLYMCSPGKT-SCTDSRPQSA-N 2 2 336.520 3.495 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269773 459261130 /nfs/dbraw/zinc/26/11/30/459261130.db2.gz XHTKQISHTXRMHT-APWZRJJASA-N 3 2 326.488 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269773 459261136 /nfs/dbraw/zinc/26/11/36/459261136.db2.gz XHTKQISHTXRMHT-APWZRJJASA-N 3 2 326.488 3.119 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cc2c(C)c1 ZINC000481925303 459281145 /nfs/dbraw/zinc/28/11/45/459281145.db2.gz MRIFNYGHBDPIIS-KRWDZBQOSA-N 2 2 341.499 3.470 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc2c(C)c1 ZINC000481925303 459281149 /nfs/dbraw/zinc/28/11/49/459281149.db2.gz MRIFNYGHBDPIIS-KRWDZBQOSA-N 2 2 341.499 3.470 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000560124931 459303860 /nfs/dbraw/zinc/30/38/60/459303860.db2.gz AGSWXEPDOCDHQI-WQDJSCAQSA-N 2 2 332.488 3.378 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000591083500 459310409 /nfs/dbraw/zinc/31/04/09/459310409.db2.gz WVJUOOSAEWAVFZ-HNNXBMFYSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000591083500 459310417 /nfs/dbraw/zinc/31/04/17/459310417.db2.gz WVJUOOSAEWAVFZ-HNNXBMFYSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000482882980 459330280 /nfs/dbraw/zinc/33/02/80/459330280.db2.gz HZLXRJUDNMJHBO-RTBURBONSA-N 2 2 343.540 3.176 20 0 EGADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000482882980 459330283 /nfs/dbraw/zinc/33/02/83/459330283.db2.gz HZLXRJUDNMJHBO-RTBURBONSA-N 2 2 343.540 3.176 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595512271 459330264 /nfs/dbraw/zinc/33/02/64/459330264.db2.gz WTAHQVGBCQNNPU-UHFFFAOYSA-N 2 2 338.451 3.227 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496862599 459351031 /nfs/dbraw/zinc/35/10/31/459351031.db2.gz IUQIHWLFPKXCFI-KEYYUXOJSA-N 2 2 348.491 3.035 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496862599 459351039 /nfs/dbraw/zinc/35/10/39/459351039.db2.gz IUQIHWLFPKXCFI-KEYYUXOJSA-N 2 2 348.491 3.035 20 0 EGADLP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2o1 ZINC000591447010 459382777 /nfs/dbraw/zinc/38/27/77/459382777.db2.gz WKFGDLKIEUEGKO-IRXDYDNUSA-N 2 2 342.439 3.326 20 0 EGADLP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2o1 ZINC000591447010 459382783 /nfs/dbraw/zinc/38/27/83/459382783.db2.gz WKFGDLKIEUEGKO-IRXDYDNUSA-N 2 2 342.439 3.326 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000484124316 459407548 /nfs/dbraw/zinc/40/75/48/459407548.db2.gz BPBKRCWRWKQXSI-ROUUACIJSA-N 2 2 334.504 3.340 20 0 EGADLP Fc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000582693390 459410015 /nfs/dbraw/zinc/41/00/15/459410015.db2.gz YJLYPSOBGAYOEO-OAHLLOKOSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000582693390 459410020 /nfs/dbraw/zinc/41/00/20/459410020.db2.gz YJLYPSOBGAYOEO-OAHLLOKOSA-N 2 2 326.843 3.166 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000561018024 459412447 /nfs/dbraw/zinc/41/24/47/459412447.db2.gz QNSKSQHTDISVMP-QGZVFWFLSA-N 2 2 337.427 3.279 20 0 EGADLP CC(C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCCCCC1 ZINC000582710508 459413469 /nfs/dbraw/zinc/41/34/69/459413469.db2.gz VZJONGSDZGHKMV-ZACQAIPSSA-N 2 2 347.507 3.089 20 0 EGADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000561129733 459422499 /nfs/dbraw/zinc/42/24/99/459422499.db2.gz AOTAPVKMKPOQEH-PGRDOPGGSA-N 2 2 338.495 3.373 20 0 EGADLP CSCc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000591767336 459431594 /nfs/dbraw/zinc/43/15/94/459431594.db2.gz DKFOHNPDZGTMAK-FQEVSTJZSA-N 2 2 344.524 3.132 20 0 EGADLP CSCc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000591767336 459431589 /nfs/dbraw/zinc/43/15/89/459431589.db2.gz DKFOHNPDZGTMAK-FQEVSTJZSA-N 2 2 344.524 3.132 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000541572526 459467645 /nfs/dbraw/zinc/46/76/45/459467645.db2.gz QBIJOBTYRCPNEF-ZPHJMFTNSA-N 2 2 343.515 3.011 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078374 459478626 /nfs/dbraw/zinc/47/86/26/459478626.db2.gz YPQMCMGWXOKKKI-MJGOQNOKSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078374 459478630 /nfs/dbraw/zinc/47/86/30/459478630.db2.gz YPQMCMGWXOKKKI-MJGOQNOKSA-N 3 2 338.499 3.447 20 0 EGADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000569676271 459491682 /nfs/dbraw/zinc/49/16/82/459491682.db2.gz ZWKHARWUSDIKJK-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP Cc1cc[nH+]c(N2CCN(c3[nH+]cnc4[nH]c5ccccc5c43)CC2)c1 ZINC000583244313 459508368 /nfs/dbraw/zinc/50/83/68/459508368.db2.gz BPMYMTVHYYZDJQ-UHFFFAOYSA-N 2 2 344.422 3.141 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2csc(C3CCCCC3)n2)CC12CCOCC2 ZINC000583384030 459529491 /nfs/dbraw/zinc/52/94/91/459529491.db2.gz CSDRBRMAGOILSH-MRXNPFEDSA-N 2 2 349.544 3.378 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(C3CCCCC3)n2)CC12CCOCC2 ZINC000583384030 459529495 /nfs/dbraw/zinc/52/94/95/459529495.db2.gz CSDRBRMAGOILSH-MRXNPFEDSA-N 2 2 349.544 3.378 20 0 EGADLP CC[C@H](C)[C@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542167984 459530973 /nfs/dbraw/zinc/53/09/73/459530973.db2.gz GIICEKROYABFLS-GJZGRUSLSA-N 2 2 330.476 3.284 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000542312791 459545897 /nfs/dbraw/zinc/54/58/97/459545897.db2.gz FDDSAYNBEKNXJV-QIJUGHKUSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000542312791 459545904 /nfs/dbraw/zinc/54/59/04/459545904.db2.gz FDDSAYNBEKNXJV-QIJUGHKUSA-N 2 2 338.495 3.405 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000583740304 459588846 /nfs/dbraw/zinc/58/88/46/459588846.db2.gz FALLACZXOYFNKH-IBGZPJMESA-N 2 2 346.496 3.003 20 0 EGADLP O=C(NC1CC1)c1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000583806397 459599614 /nfs/dbraw/zinc/59/96/14/459599614.db2.gz BRIRKLSYKSZOEB-LEWJYISDSA-N 2 2 349.478 3.162 20 0 EGADLP Cc1[nH]c(CNCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)[nH+]c1C ZINC000583823709 459603929 /nfs/dbraw/zinc/60/39/29/459603929.db2.gz FLBDHFVKIWMEFH-QGZVFWFLSA-N 2 2 342.487 3.016 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)C[NH+]1CCOCC1 ZINC000573283692 459652957 /nfs/dbraw/zinc/65/29/57/459652957.db2.gz YVKXDNVLRXNHAH-OALUTQOASA-N 2 2 330.516 3.445 20 0 EGADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000573438197 459677646 /nfs/dbraw/zinc/67/76/46/459677646.db2.gz BREWVZVYQSZDBH-INIZCTEOSA-N 2 2 344.503 3.104 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527653969 459685907 /nfs/dbraw/zinc/68/59/07/459685907.db2.gz NVJWRHOMUXIPDR-GFCCVEGCSA-N 2 2 344.272 3.193 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527653969 459685912 /nfs/dbraw/zinc/68/59/12/459685912.db2.gz NVJWRHOMUXIPDR-GFCCVEGCSA-N 2 2 344.272 3.193 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527671629 459693316 /nfs/dbraw/zinc/69/33/16/459693316.db2.gz XSUODXAGNMRQEV-NEPJUHHUSA-N 2 2 346.700 3.460 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000563014314 459695574 /nfs/dbraw/zinc/69/55/74/459695574.db2.gz SQDRODJWZXCJRN-FCHUYYIVSA-N 2 2 338.495 3.090 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000563014314 459695581 /nfs/dbraw/zinc/69/55/81/459695581.db2.gz SQDRODJWZXCJRN-FCHUYYIVSA-N 2 2 338.495 3.090 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000501216472 459716402 /nfs/dbraw/zinc/71/64/02/459716402.db2.gz HBYJFLAGSDHFJJ-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000501216472 459716405 /nfs/dbraw/zinc/71/64/05/459716405.db2.gz HBYJFLAGSDHFJJ-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764974 459728959 /nfs/dbraw/zinc/72/89/59/459728959.db2.gz WRAYGMKMUIUWAQ-JXFKEZNVSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764974 459728966 /nfs/dbraw/zinc/72/89/66/459728966.db2.gz WRAYGMKMUIUWAQ-JXFKEZNVSA-N 2 2 334.467 3.498 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)[C@@H]3CC34CC4)CC2)cc1 ZINC000527902794 459769696 /nfs/dbraw/zinc/76/96/96/459769696.db2.gz GZUHWBZDFCSOEB-QRWLVFNGSA-N 2 2 341.499 3.388 20 0 EGADLP c1ccc(-c2cnc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)nc2)cc1 ZINC000545183357 459806283 /nfs/dbraw/zinc/80/62/83/459806283.db2.gz CBHBQTOXVSMRQS-UHFFFAOYSA-N 2 2 345.450 3.297 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000574336340 459808349 /nfs/dbraw/zinc/80/83/49/459808349.db2.gz CIPGZAVYCOSRIJ-QGZVFWFLSA-N 2 2 346.862 3.003 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCC(=O)Nc1ccccc1F ZINC000585811779 459855807 /nfs/dbraw/zinc/85/58/07/459855807.db2.gz GHCHXUZIGFRRGF-UHFFFAOYSA-N 2 2 340.402 3.102 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412702 459861653 /nfs/dbraw/zinc/86/16/53/459861653.db2.gz JSEYTULBUOXUDL-PKOBYXMFSA-N 2 2 337.467 3.031 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000566412702 459861661 /nfs/dbraw/zinc/86/16/61/459861661.db2.gz JSEYTULBUOXUDL-PKOBYXMFSA-N 2 2 337.467 3.031 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1)OCc1ccccc1 ZINC000566425727 459864620 /nfs/dbraw/zinc/86/46/20/459864620.db2.gz FWMNQGSVLWSQSL-RTBURBONSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1)OCc1ccccc1 ZINC000566425727 459864632 /nfs/dbraw/zinc/86/46/32/459864632.db2.gz FWMNQGSVLWSQSL-RTBURBONSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)n1cc[nH+]c1 ZINC000574759691 459867781 /nfs/dbraw/zinc/86/77/81/459867781.db2.gz JZYHHUBBOSYEFV-OAHLLOKOSA-N 2 2 344.484 3.022 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C(C)(C)C)c1 ZINC000575000979 459907459 /nfs/dbraw/zinc/90/74/59/459907459.db2.gz STPBPRYUBJSTFV-UHFFFAOYSA-N 2 2 345.531 3.082 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C(C)(C)C)c1 ZINC000575000979 459907465 /nfs/dbraw/zinc/90/74/65/459907465.db2.gz STPBPRYUBJSTFV-UHFFFAOYSA-N 2 2 345.531 3.082 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)[C@H]1CCC[NH2+]1 ZINC000576338143 460119933 /nfs/dbraw/zinc/11/99/33/460119933.db2.gz SLWGVWMHCHQUFJ-AUUYWEPGSA-N 2 2 341.430 3.308 20 0 EGADLP Cc1ccc(SCC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1C ZINC000625547510 460203559 /nfs/dbraw/zinc/20/35/59/460203559.db2.gz QZDWVIICRUSBQI-UHFFFAOYSA-N 2 2 334.529 3.192 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[NH2+]1 ZINC000625860735 460286186 /nfs/dbraw/zinc/28/61/86/460286186.db2.gz NJXGWIXOLPYARY-UKRRQHHQSA-N 2 2 326.400 3.136 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@@H+]1C1CC1 ZINC000611438971 460364927 /nfs/dbraw/zinc/36/49/27/460364927.db2.gz BHDJEYNFKYBXCF-YOEHRIQHSA-N 2 2 330.472 3.357 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@H+]1C1CC1 ZINC000611438971 460364933 /nfs/dbraw/zinc/36/49/33/460364933.db2.gz BHDJEYNFKYBXCF-YOEHRIQHSA-N 2 2 330.472 3.357 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000626089286 460367330 /nfs/dbraw/zinc/36/73/30/460367330.db2.gz JTURDLUVCGTFKN-GOSISDBHSA-N 2 2 346.515 3.376 20 0 EGADLP O=C(NCC[NH+]1CCCC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000604019026 460369878 /nfs/dbraw/zinc/36/98/78/460369878.db2.gz VSJUHMQFDNVZIE-UHFFFAOYSA-N 2 2 345.830 3.353 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000623089648 460408827 /nfs/dbraw/zinc/40/88/27/460408827.db2.gz QRVKABNHEMZKGL-CQSZACIVSA-N 2 2 345.459 3.061 20 0 EGADLP O[C@@]1(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649551 460458207 /nfs/dbraw/zinc/45/82/07/460458207.db2.gz PJWPZSTWXGNHOQ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[N@H+]2CC[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649551 460458214 /nfs/dbraw/zinc/45/82/14/460458214.db2.gz PJWPZSTWXGNHOQ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649551 460458221 /nfs/dbraw/zinc/45/82/21/460458221.db2.gz PJWPZSTWXGNHOQ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@@]1(C[NH+]2CC[C@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649551 460458228 /nfs/dbraw/zinc/45/82/28/460458228.db2.gz PJWPZSTWXGNHOQ-SFTDATJTSA-N 2 2 340.442 3.210 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000634678006 460471742 /nfs/dbraw/zinc/47/17/42/460471742.db2.gz FIKVLDIHOSWMSL-MJGOQNOKSA-N 2 2 332.488 3.379 20 0 EGADLP C[NH+](C)C[C@@H](N[C@@H]1CCn2cc[nH+]c21)c1cccc(C(F)(F)F)c1 ZINC000631660665 460494520 /nfs/dbraw/zinc/49/45/20/460494520.db2.gz TYVFMYDDDOLAKJ-HUUCEWRRSA-N 2 2 338.377 3.239 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000631663580 460498053 /nfs/dbraw/zinc/49/80/53/460498053.db2.gz JPDRYYSNACKTQT-LSTHTHJFSA-N 2 2 338.499 3.229 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000631663580 460498056 /nfs/dbraw/zinc/49/80/56/460498056.db2.gz JPDRYYSNACKTQT-LSTHTHJFSA-N 2 2 338.499 3.229 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000631726797 460534187 /nfs/dbraw/zinc/53/41/87/460534187.db2.gz VGPFDJUEHLIOJA-WMLDXEAASA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000631726797 460534192 /nfs/dbraw/zinc/53/41/92/460534192.db2.gz VGPFDJUEHLIOJA-WMLDXEAASA-N 2 2 326.431 3.191 20 0 EGADLP CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000605123582 460542574 /nfs/dbraw/zinc/54/25/74/460542574.db2.gz OTRNYDIDRDANAR-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000605123582 460542579 /nfs/dbraw/zinc/54/25/79/460542579.db2.gz OTRNYDIDRDANAR-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP C[NH+](C)CC1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000635396663 460767063 /nfs/dbraw/zinc/76/70/63/460767063.db2.gz REUODKYCBVNAFT-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP c1cn(-c2cc(NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)ncn2)c[nH+]1 ZINC000607145701 460798024 /nfs/dbraw/zinc/79/80/24/460798024.db2.gz UDVDYDPQWURTKT-KRWDZBQOSA-N 2 2 340.475 3.119 20 0 EGADLP c1cn(-c2cc(NC[C@@H]3CCC[N@H+]3CC3CCCCC3)ncn2)c[nH+]1 ZINC000607145701 460798031 /nfs/dbraw/zinc/79/80/31/460798031.db2.gz UDVDYDPQWURTKT-KRWDZBQOSA-N 2 2 340.475 3.119 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000629548798 460804569 /nfs/dbraw/zinc/80/45/69/460804569.db2.gz YOLPVPHLJIHIJF-DUVNUKRYSA-N 2 2 325.859 3.178 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000624018928 460824084 /nfs/dbraw/zinc/82/40/84/460824084.db2.gz AUCFHCPZZSYLIR-JKSUJKDBSA-N 2 2 331.460 3.495 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC ZINC000629654935 460848808 /nfs/dbraw/zinc/84/88/08/460848808.db2.gz JVPOXZGDQSHRAM-ZIAGYGMSSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1OC ZINC000629654935 460848810 /nfs/dbraw/zinc/84/88/10/460848810.db2.gz JVPOXZGDQSHRAM-ZIAGYGMSSA-N 2 2 346.393 3.053 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702154 460876219 /nfs/dbraw/zinc/87/62/19/460876219.db2.gz IPYZCTUYNMXQPW-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702154 460876225 /nfs/dbraw/zinc/87/62/25/460876225.db2.gz IPYZCTUYNMXQPW-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000632923291 460888462 /nfs/dbraw/zinc/88/84/62/460888462.db2.gz NKGGRQYRTGHSEJ-GDBMZVCRSA-N 2 2 341.459 3.304 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624231166 460922189 /nfs/dbraw/zinc/92/21/89/460922189.db2.gz RGKIXVLURSYHGQ-RHSMWYFYSA-N 2 2 346.421 3.349 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624231166 460922191 /nfs/dbraw/zinc/92/21/91/460922191.db2.gz RGKIXVLURSYHGQ-RHSMWYFYSA-N 2 2 346.421 3.349 20 0 EGADLP CCOc1cncc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000621329976 460991872 /nfs/dbraw/zinc/99/18/72/460991872.db2.gz VESBJQUADIKZNG-UHFFFAOYSA-N 2 2 343.446 3.374 20 0 EGADLP O=C(NCCCCC[NH+]1CCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633206007 461003765 /nfs/dbraw/zinc/00/37/65/461003765.db2.gz ARWWUVWHFPHDHJ-UHFFFAOYSA-N 2 2 326.444 3.073 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183144 461035205 /nfs/dbraw/zinc/03/52/05/461035205.db2.gz RVWVCTPRTXVWNY-HIFRSBDPSA-N 2 2 325.447 3.335 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183144 461035211 /nfs/dbraw/zinc/03/52/11/461035211.db2.gz RVWVCTPRTXVWNY-HIFRSBDPSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183144 461035212 /nfs/dbraw/zinc/03/52/12/461035212.db2.gz RVWVCTPRTXVWNY-HIFRSBDPSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@H]1C ZINC000628183144 461035217 /nfs/dbraw/zinc/03/52/17/461035217.db2.gz RVWVCTPRTXVWNY-HIFRSBDPSA-N 2 2 325.447 3.335 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628230352 461054989 /nfs/dbraw/zinc/05/49/89/461054989.db2.gz DGXFZGXTSXAHLG-CQSZACIVSA-N 2 2 326.444 3.262 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)n1C ZINC000668113639 461111891 /nfs/dbraw/zinc/11/18/91/461111891.db2.gz WPRQQKPLGKUUFV-UHFFFAOYSA-N 2 2 332.879 3.403 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)n1C ZINC000668113639 461111898 /nfs/dbraw/zinc/11/18/98/461111898.db2.gz WPRQQKPLGKUUFV-UHFFFAOYSA-N 2 2 332.879 3.403 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1cccs1 ZINC000652351627 461147509 /nfs/dbraw/zinc/14/75/09/461147509.db2.gz LZMIUOLXZZHUNT-YJLNNSPDSA-N 2 2 349.544 3.012 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1cccs1 ZINC000652351627 461147518 /nfs/dbraw/zinc/14/75/18/461147518.db2.gz LZMIUOLXZZHUNT-YJLNNSPDSA-N 2 2 349.544 3.012 20 0 EGADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)ccc1C ZINC000652356132 461150146 /nfs/dbraw/zinc/15/01/46/461150146.db2.gz SRSHBABBFROTLJ-XJKSGUPXSA-N 2 2 344.459 3.003 20 0 EGADLP COc1cc(-c2noc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)ccc1C ZINC000652356132 461150156 /nfs/dbraw/zinc/15/01/56/461150156.db2.gz SRSHBABBFROTLJ-XJKSGUPXSA-N 2 2 344.459 3.003 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662289988 461168020 /nfs/dbraw/zinc/16/80/20/461168020.db2.gz CMJTZZMDSREBGI-MRXNPFEDSA-N 2 2 349.906 3.299 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)n1C ZINC000668216235 461185306 /nfs/dbraw/zinc/18/53/06/461185306.db2.gz XSEQZUJDSHOLPA-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)n1C ZINC000668216235 461185312 /nfs/dbraw/zinc/18/53/12/461185312.db2.gz XSEQZUJDSHOLPA-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000668217494 461185720 /nfs/dbraw/zinc/18/57/20/461185720.db2.gz ILOUYSGRUURWPP-QMMLZNLJSA-N 2 2 341.499 3.388 20 0 EGADLP C[N@@H+](Cc1ccnn1CC1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000668229002 461194105 /nfs/dbraw/zinc/19/41/05/461194105.db2.gz WARRRFUOGXPFSV-UHFFFAOYSA-N 2 2 344.425 3.142 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000638132956 461263959 /nfs/dbraw/zinc/26/39/59/461263959.db2.gz IPLQYZOWSPYJBZ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000638132956 461263968 /nfs/dbraw/zinc/26/39/68/461263968.db2.gz IPLQYZOWSPYJBZ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000638132956 461263976 /nfs/dbraw/zinc/26/39/76/461263976.db2.gz IPLQYZOWSPYJBZ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000638132956 461263981 /nfs/dbraw/zinc/26/39/81/461263981.db2.gz IPLQYZOWSPYJBZ-HNNXBMFYSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144424 461269859 /nfs/dbraw/zinc/26/98/59/461269859.db2.gz CKNOXFXKFKAUPU-FUHWJXTLSA-N 2 2 341.455 3.361 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144424 461269868 /nfs/dbraw/zinc/26/98/68/461269868.db2.gz CKNOXFXKFKAUPU-FUHWJXTLSA-N 2 2 341.455 3.361 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718769 461299673 /nfs/dbraw/zinc/29/96/73/461299673.db2.gz GEQAIYOXELYUBM-NJYVYQBISA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718769 461299679 /nfs/dbraw/zinc/29/96/79/461299679.db2.gz GEQAIYOXELYUBM-NJYVYQBISA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718769 461299685 /nfs/dbraw/zinc/29/96/85/461299685.db2.gz GEQAIYOXELYUBM-NJYVYQBISA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](CC)CO1 ZINC000649718769 461299689 /nfs/dbraw/zinc/29/96/89/461299689.db2.gz GEQAIYOXELYUBM-NJYVYQBISA-N 2 2 346.515 3.167 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519519 461313635 /nfs/dbraw/zinc/31/36/35/461313635.db2.gz XYACPWZQCRSPSA-FXAWDEMLSA-N 2 2 342.487 3.031 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519519 461313643 /nfs/dbraw/zinc/31/36/43/461313643.db2.gz XYACPWZQCRSPSA-FXAWDEMLSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519519 461313650 /nfs/dbraw/zinc/31/36/50/461313650.db2.gz XYACPWZQCRSPSA-FXAWDEMLSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519519 461313657 /nfs/dbraw/zinc/31/36/57/461313657.db2.gz XYACPWZQCRSPSA-FXAWDEMLSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H](OC)C1CCOCC1)c1ccccc1 ZINC000638287241 461347554 /nfs/dbraw/zinc/34/75/54/461347554.db2.gz SKPAYZSJRGXNRM-PMACEKPBSA-N 2 2 334.504 3.101 20 0 EGADLP CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000633949722 461347479 /nfs/dbraw/zinc/34/74/79/461347479.db2.gz TUDYZYUMRVQOKH-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)oc21 ZINC000655693568 461368106 /nfs/dbraw/zinc/36/81/06/461368106.db2.gz FDSFEAIBUFUELR-YOEHRIQHSA-N 2 2 344.455 3.345 20 0 EGADLP CC(C)C[C@@H](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000668669446 461375080 /nfs/dbraw/zinc/37/50/80/461375080.db2.gz SYTBKBWZCFGKIY-ROUUACIJSA-N 2 2 342.487 3.024 20 0 EGADLP CCOc1ccccc1[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655705112 461376659 /nfs/dbraw/zinc/37/66/59/461376659.db2.gz WETLTQHWAXZVLF-HKUYNNGSSA-N 2 2 332.488 3.379 20 0 EGADLP CC(C)CCOc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655704384 461376785 /nfs/dbraw/zinc/37/67/85/461376785.db2.gz CLYMBPHGCWHILU-FQEVSTJZSA-N 2 2 346.515 3.454 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cs2)cc1OC ZINC000641802313 461379913 /nfs/dbraw/zinc/37/99/13/461379913.db2.gz IZFAAOUBGXLILE-HOTGVXAUSA-N 2 2 347.484 3.043 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000668715391 461393619 /nfs/dbraw/zinc/39/36/19/461393619.db2.gz ONIDHGADMGVTFD-HNNXBMFYSA-N 2 2 331.287 3.491 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000638374680 461394078 /nfs/dbraw/zinc/39/40/78/461394078.db2.gz PLWDTACVSPUFMG-IRXDYDNUSA-N 2 2 341.503 3.066 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1Cl ZINC000668716206 461394384 /nfs/dbraw/zinc/39/43/84/461394384.db2.gz XSLZCZFUJSSFGS-MRXNPFEDSA-N 2 2 343.298 3.491 20 0 EGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655728823 461396226 /nfs/dbraw/zinc/39/62/26/461396226.db2.gz YOJWKKKEXTXJBF-TYPHKJRUSA-N 2 2 328.500 3.241 20 0 EGADLP Fc1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655765103 461430581 /nfs/dbraw/zinc/43/05/81/461430581.db2.gz YOTYLCCITRQHJG-NSISKUIASA-N 2 2 332.463 3.305 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000666063673 461434913 /nfs/dbraw/zinc/43/49/13/461434913.db2.gz VFJQQIORIWHKBS-MRXNPFEDSA-N 2 2 340.427 3.480 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000666063673 461434924 /nfs/dbraw/zinc/43/49/24/461434924.db2.gz VFJQQIORIWHKBS-MRXNPFEDSA-N 2 2 340.427 3.480 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000668793061 461437031 /nfs/dbraw/zinc/43/70/31/461437031.db2.gz REKJRZHOUKHUBC-UHFFFAOYSA-N 2 2 338.411 3.128 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858634 461461410 /nfs/dbraw/zinc/46/14/10/461461410.db2.gz XMCHNUSNUMGSRI-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858634 461461415 /nfs/dbraw/zinc/46/14/15/461461415.db2.gz XMCHNUSNUMGSRI-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858634 461461423 /nfs/dbraw/zinc/46/14/23/461461423.db2.gz XMCHNUSNUMGSRI-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858634 461461430 /nfs/dbraw/zinc/46/14/30/461461430.db2.gz XMCHNUSNUMGSRI-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858637 461461640 /nfs/dbraw/zinc/46/16/40/461461640.db2.gz XMCHNUSNUMGSRI-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858637 461461647 /nfs/dbraw/zinc/46/16/47/461461647.db2.gz XMCHNUSNUMGSRI-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858637 461461651 /nfs/dbraw/zinc/46/16/51/461461651.db2.gz XMCHNUSNUMGSRI-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858637 461461655 /nfs/dbraw/zinc/46/16/55/461461655.db2.gz XMCHNUSNUMGSRI-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000653062573 461482292 /nfs/dbraw/zinc/48/22/92/461482292.db2.gz CXKINNJKJGTMDS-MRXNPFEDSA-N 2 2 347.846 3.350 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC000631038692 461490785 /nfs/dbraw/zinc/49/07/85/461490785.db2.gz HAKKUQFPFMLTBI-SFHVURJKSA-N 2 2 333.520 3.230 20 0 EGADLP CC(C)c1ccc(C2(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC2)cc1 ZINC000653088938 461496944 /nfs/dbraw/zinc/49/69/44/461496944.db2.gz SAMMYRMVSFSERL-IBGZPJMESA-N 2 2 345.531 3.017 20 0 EGADLP Cc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCC[C@@H](C)C1 ZINC000653089256 461497396 /nfs/dbraw/zinc/49/73/96/461497396.db2.gz CIOYNTYGOUXSKG-MCYKXBRJSA-N 2 2 345.531 3.258 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850312 461498134 /nfs/dbraw/zinc/49/81/34/461498134.db2.gz UORZLGVFLDSHCB-JVPBZIDWSA-N 2 2 327.472 3.239 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850312 461498138 /nfs/dbraw/zinc/49/81/38/461498138.db2.gz UORZLGVFLDSHCB-JVPBZIDWSA-N 2 2 327.472 3.239 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850825 461499153 /nfs/dbraw/zinc/49/91/53/461499153.db2.gz ZFJCRCVDRHCQRW-QXAKKESOSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850825 461499160 /nfs/dbraw/zinc/49/91/60/461499160.db2.gz ZFJCRCVDRHCQRW-QXAKKESOSA-N 2 2 329.488 3.319 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855639 461503650 /nfs/dbraw/zinc/50/36/50/461503650.db2.gz FRIOWPCXGMPULC-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000655855639 461503653 /nfs/dbraw/zinc/50/36/53/461503653.db2.gz FRIOWPCXGMPULC-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP CC(C)c1ccc([C@H]2CCCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653158018 461529564 /nfs/dbraw/zinc/52/95/64/461529564.db2.gz SWWIJUGNORRQAX-RTBURBONSA-N 2 2 331.504 3.143 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706544 461544189 /nfs/dbraw/zinc/54/41/89/461544189.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706544 461544193 /nfs/dbraw/zinc/54/41/93/461544193.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706544 461544196 /nfs/dbraw/zinc/54/41/96/461544196.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706544 461544203 /nfs/dbraw/zinc/54/42/03/461544203.db2.gz GKLWBBRHDGOQPV-RDPOXOKHSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197653 461558924 /nfs/dbraw/zinc/55/89/24/461558924.db2.gz HEFZONJQLBVSIF-LRCAOYNASA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197653 461558938 /nfs/dbraw/zinc/55/89/38/461558938.db2.gz HEFZONJQLBVSIF-LRCAOYNASA-N 2 2 326.843 3.239 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000663344819 461574119 /nfs/dbraw/zinc/57/41/19/461574119.db2.gz YCKKUFGZCHSBIC-HNNXBMFYSA-N 2 2 336.451 3.055 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663344819 461574133 /nfs/dbraw/zinc/57/41/33/461574133.db2.gz YCKKUFGZCHSBIC-HNNXBMFYSA-N 2 2 336.451 3.055 20 0 EGADLP CC[C@H](C)[C@@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)OC ZINC000638779562 461576746 /nfs/dbraw/zinc/57/67/46/461576746.db2.gz ORJFVNKJAZDKTE-MAUKXSAKSA-N 2 2 334.508 3.085 20 0 EGADLP Cc1ccc([C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)[NH+](C)C)cc1 ZINC000663360969 461589103 /nfs/dbraw/zinc/58/91/03/461589103.db2.gz SQWNLNPAOFSHNF-FQEVSTJZSA-N 2 2 339.483 3.240 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(N(C)C(C)C)nc3)cn21 ZINC000647262673 461597253 /nfs/dbraw/zinc/59/72/53/461597253.db2.gz JSCMNDOCZCHQPH-UHFFFAOYSA-N 2 2 337.471 3.215 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn21 ZINC000647262849 461598801 /nfs/dbraw/zinc/59/88/01/461598801.db2.gz UANBYWSFESWOER-UHFFFAOYSA-N 3 2 348.494 3.439 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000660197644 461631049 /nfs/dbraw/zinc/63/10/49/461631049.db2.gz GQOFDYKYCDBHPD-GHTZIAJQSA-N 2 2 344.474 3.400 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000660197644 461631053 /nfs/dbraw/zinc/63/10/53/461631053.db2.gz GQOFDYKYCDBHPD-GHTZIAJQSA-N 2 2 344.474 3.400 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000660203707 461638034 /nfs/dbraw/zinc/63/80/34/461638034.db2.gz UVXNLNSFUGBCHY-HNNXBMFYSA-N 2 2 326.431 3.025 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000660203707 461638040 /nfs/dbraw/zinc/63/80/40/461638040.db2.gz UVXNLNSFUGBCHY-HNNXBMFYSA-N 2 2 326.431 3.025 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000638938391 461654205 /nfs/dbraw/zinc/65/42/05/461654205.db2.gz XPLGZFVXFPKIHF-AAEUAGOBSA-N 2 2 331.803 3.089 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cccc(-n4ccnn4)c3)cn21 ZINC000647364116 461658504 /nfs/dbraw/zinc/65/85/04/461658504.db2.gz SECSJLXBCUPSLB-INIZCTEOSA-N 2 2 346.438 3.117 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)cc1 ZINC000653509472 461687631 /nfs/dbraw/zinc/68/76/31/461687631.db2.gz ITRRVJUOWOUORO-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)cc1 ZINC000653509472 461687636 /nfs/dbraw/zinc/68/76/36/461687636.db2.gz ITRRVJUOWOUORO-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000663672269 461747385 /nfs/dbraw/zinc/74/73/85/461747385.db2.gz ZMQNWCTVWQNJQT-CYBMUJFWSA-N 2 2 341.297 3.024 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCN(c2nc(C)[nH+]c(C)c2Br)C1 ZINC000663672269 461747393 /nfs/dbraw/zinc/74/73/93/461747393.db2.gz ZMQNWCTVWQNJQT-CYBMUJFWSA-N 2 2 341.297 3.024 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507273 461748587 /nfs/dbraw/zinc/74/85/87/461748587.db2.gz XWKSFMNPKXFWMF-CQSZACIVSA-N 2 2 329.669 3.431 20 0 EGADLP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@H]2CCCO2)cc1 ZINC000643505776 461748655 /nfs/dbraw/zinc/74/86/55/461748655.db2.gz KJVDAWGDBVMHAT-XHSDSOJGSA-N 2 2 339.277 3.011 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000647530954 461749873 /nfs/dbraw/zinc/74/98/73/461749873.db2.gz RCZRPBMZAXEEHL-UHFFFAOYSA-N 2 2 349.276 3.152 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCC1 ZINC000643517840 461750405 /nfs/dbraw/zinc/75/04/05/461750405.db2.gz JGWFVAKZZKCZAI-CABCVRRESA-N 2 2 339.277 3.140 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000643531626 461754860 /nfs/dbraw/zinc/75/48/60/461754860.db2.gz XFHSVNBQTWQJCH-VLIAUNLRSA-N 2 2 335.451 3.109 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@H](OC)[C@@H]3CCOC3)ccc2n1C1CC1 ZINC000639143691 461761664 /nfs/dbraw/zinc/76/16/64/461761664.db2.gz ZDWJZGZIFKXDNV-BEFAXECRSA-N 2 2 343.471 3.075 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OC(F)F ZINC000647554346 461764161 /nfs/dbraw/zinc/76/41/61/461764161.db2.gz XGPBSRDVJYJGFT-OAHLLOKOSA-N 2 2 326.387 3.061 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000639178040 461786044 /nfs/dbraw/zinc/78/60/44/461786044.db2.gz YINPKHVPYMMIRO-LBPRGKRZSA-N 2 2 335.835 3.080 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000639178040 461786049 /nfs/dbraw/zinc/78/60/49/461786049.db2.gz YINPKHVPYMMIRO-LBPRGKRZSA-N 2 2 335.835 3.080 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000666770083 461795623 /nfs/dbraw/zinc/79/56/23/461795623.db2.gz KLXIPWQHDBAMRK-CQSZACIVSA-N 2 2 346.393 3.258 20 0 EGADLP C[C@H](CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476646 461801133 /nfs/dbraw/zinc/80/11/33/461801133.db2.gz DKJYXFYHGVFVDB-CTNGQTDRSA-N 2 2 346.515 3.169 20 0 EGADLP C[C@H](CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476646 461801140 /nfs/dbraw/zinc/80/11/40/461801140.db2.gz DKJYXFYHGVFVDB-CTNGQTDRSA-N 2 2 346.515 3.169 20 0 EGADLP Fc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660478175 461802939 /nfs/dbraw/zinc/80/29/39/461802939.db2.gz KMVQPJOMRUMFMA-OAHLLOKOSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660478175 461802942 /nfs/dbraw/zinc/80/29/42/461802942.db2.gz KMVQPJOMRUMFMA-OAHLLOKOSA-N 2 2 326.843 3.166 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660484527 461806421 /nfs/dbraw/zinc/80/64/21/461806421.db2.gz PXLGRYAXPMSQKM-AZUAARDMSA-N 2 2 328.500 3.151 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660484527 461806426 /nfs/dbraw/zinc/80/64/26/461806426.db2.gz PXLGRYAXPMSQKM-AZUAARDMSA-N 2 2 328.500 3.151 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828216 461826326 /nfs/dbraw/zinc/82/63/26/461826326.db2.gz JDRAZKXIFHLKHT-INIZCTEOSA-N 2 2 332.488 3.040 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828216 461826336 /nfs/dbraw/zinc/82/63/36/461826336.db2.gz JDRAZKXIFHLKHT-INIZCTEOSA-N 2 2 332.488 3.040 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828216 461826343 /nfs/dbraw/zinc/82/63/43/461826343.db2.gz JDRAZKXIFHLKHT-INIZCTEOSA-N 2 2 332.488 3.040 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828216 461826348 /nfs/dbraw/zinc/82/63/48/461826348.db2.gz JDRAZKXIFHLKHT-INIZCTEOSA-N 2 2 332.488 3.040 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc2)cs1 ZINC000656694390 461846239 /nfs/dbraw/zinc/84/62/39/461846239.db2.gz LCEVGPMXVFXDCJ-RDTXWAMCSA-N 2 2 347.528 3.470 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc2)cs1 ZINC000656694390 461846242 /nfs/dbraw/zinc/84/62/42/461846242.db2.gz LCEVGPMXVFXDCJ-RDTXWAMCSA-N 2 2 347.528 3.470 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000660590934 461868824 /nfs/dbraw/zinc/86/88/24/461868824.db2.gz VFFNCQOEAAYCCP-HNNXBMFYSA-N 2 2 345.512 3.024 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000660590934 461868829 /nfs/dbraw/zinc/86/88/29/461868829.db2.gz VFFNCQOEAAYCCP-HNNXBMFYSA-N 2 2 345.512 3.024 20 0 EGADLP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647883427 461870655 /nfs/dbraw/zinc/87/06/55/461870655.db2.gz PITIIVGTJZXGLK-SWLSCSKDSA-N 2 2 339.277 3.204 20 0 EGADLP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647883427 461870659 /nfs/dbraw/zinc/87/06/59/461870659.db2.gz PITIIVGTJZXGLK-SWLSCSKDSA-N 2 2 339.277 3.204 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000666954364 461886396 /nfs/dbraw/zinc/88/63/96/461886396.db2.gz VLUFSRDUFXMVNQ-GOSISDBHSA-N 3 2 333.907 3.036 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@H]1[NH3+] ZINC000647936785 461893638 /nfs/dbraw/zinc/89/36/38/461893638.db2.gz LIKMKEGYFBNGKV-WOSRLPQWSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@H]1[NH3+] ZINC000647936785 461893643 /nfs/dbraw/zinc/89/36/43/461893643.db2.gz LIKMKEGYFBNGKV-WOSRLPQWSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647937219 461893812 /nfs/dbraw/zinc/89/38/12/461893812.db2.gz SRYILVSXTNLBOU-ZMSDIMECSA-N 2 2 343.471 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC[C@H]1[NH3+] ZINC000647937219 461893818 /nfs/dbraw/zinc/89/38/18/461893818.db2.gz SRYILVSXTNLBOU-ZMSDIMECSA-N 2 2 343.471 3.011 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639376763 461895610 /nfs/dbraw/zinc/89/56/10/461895610.db2.gz YGKYOCNOEGSIEA-UHFFFAOYSA-N 2 2 332.536 3.385 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939070 461896145 /nfs/dbraw/zinc/89/61/45/461896145.db2.gz ZXAAYKUWLIAWIC-JXXFODFXSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939070 461896148 /nfs/dbraw/zinc/89/61/48/461896148.db2.gz ZXAAYKUWLIAWIC-JXXFODFXSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC[C@H]1[NH3+] ZINC000647939836 461896792 /nfs/dbraw/zinc/89/67/92/461896792.db2.gz CJXPEYRGRUDDBN-ILZDJORESA-N 2 2 345.531 3.122 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC[C@H]1[NH3+] ZINC000647939836 461896798 /nfs/dbraw/zinc/89/67/98/461896798.db2.gz CJXPEYRGRUDDBN-ILZDJORESA-N 2 2 345.531 3.122 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccnc(N3CCSCC3)c2)c[nH+]1 ZINC000639388175 461904636 /nfs/dbraw/zinc/90/46/36/461904636.db2.gz XYXAJQRDRNEJRF-UHFFFAOYSA-N 2 2 342.512 3.061 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000650715479 461906374 /nfs/dbraw/zinc/90/63/74/461906374.db2.gz BPGNEHDHDJQMRO-HNNXBMFYSA-N 2 2 327.394 3.030 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000660657471 461907270 /nfs/dbraw/zinc/90/72/70/461907270.db2.gz XRMLTNSDQYCBAS-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000660657471 461907272 /nfs/dbraw/zinc/90/72/72/461907272.db2.gz XRMLTNSDQYCBAS-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000660657471 461907279 /nfs/dbraw/zinc/90/72/79/461907279.db2.gz XRMLTNSDQYCBAS-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000660657471 461907284 /nfs/dbraw/zinc/90/72/84/461907284.db2.gz XRMLTNSDQYCBAS-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000660674069 461918382 /nfs/dbraw/zinc/91/83/82/461918382.db2.gz LSLVWBWJTKPJSP-UHFFFAOYSA-N 2 2 342.936 3.257 20 0 EGADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000650757368 461936845 /nfs/dbraw/zinc/93/68/45/461936845.db2.gz VJPGEUKENYPDPP-LJQANCHMSA-N 2 2 338.430 3.158 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)cc1C(F)(F)F)CCO2 ZINC000648071704 461967970 /nfs/dbraw/zinc/96/79/70/461967970.db2.gz PPDHSNGEIJZSFG-UHFFFAOYSA-N 2 2 346.368 3.141 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(F)cc1C(F)(F)F)CCO2 ZINC000648071704 461967977 /nfs/dbraw/zinc/96/79/77/461967977.db2.gz PPDHSNGEIJZSFG-UHFFFAOYSA-N 2 2 346.368 3.141 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000667147262 461970425 /nfs/dbraw/zinc/97/04/25/461970425.db2.gz ZTYWSVDQOMZUTM-GOSISDBHSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000667147262 461970436 /nfs/dbraw/zinc/97/04/36/461970436.db2.gz ZTYWSVDQOMZUTM-GOSISDBHSA-N 2 2 349.438 3.039 20 0 EGADLP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182723 461983161 /nfs/dbraw/zinc/98/31/61/461983161.db2.gz LVPCKZVBABFSJX-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182723 461983165 /nfs/dbraw/zinc/98/31/65/461983165.db2.gz LVPCKZVBABFSJX-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182723 461983171 /nfs/dbraw/zinc/98/31/71/461983171.db2.gz LVPCKZVBABFSJX-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182723 461983180 /nfs/dbraw/zinc/98/31/80/461983180.db2.gz LVPCKZVBABFSJX-WOJBJXKFSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)n1-c1ccccc1 ZINC000644580208 461994590 /nfs/dbraw/zinc/99/45/90/461994590.db2.gz HIARQTMFHBCBLF-IERDGZPVSA-N 2 2 335.451 3.435 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)n1-c1ccccc1 ZINC000644580206 461995569 /nfs/dbraw/zinc/99/55/69/461995569.db2.gz HIARQTMFHBCBLF-HRAATJIYSA-N 2 2 335.451 3.435 20 0 EGADLP c1coc(COCc2cccc(C[NH2+]Cc3c[nH+]c4n3CCC4)c2)c1 ZINC000657308385 462033070 /nfs/dbraw/zinc/03/30/70/462033070.db2.gz QHBDULWNCMRJHN-UHFFFAOYSA-N 2 2 337.423 3.429 20 0 EGADLP Cc1cc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000664364915 462034535 /nfs/dbraw/zinc/03/45/35/462034535.db2.gz UZMUVYCUANYEPD-LJQANCHMSA-N 2 2 336.483 3.416 20 0 EGADLP Cc1cc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000664364915 462034540 /nfs/dbraw/zinc/03/45/40/462034540.db2.gz UZMUVYCUANYEPD-LJQANCHMSA-N 2 2 336.483 3.416 20 0 EGADLP O=C(Nc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1)C1CCCC1 ZINC000657317233 462041537 /nfs/dbraw/zinc/04/15/37/462041537.db2.gz VYRFMLMZXGCESS-UHFFFAOYSA-N 2 2 338.455 3.248 20 0 EGADLP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657327132 462049181 /nfs/dbraw/zinc/04/91/81/462049181.db2.gz HUVKGXZVCJMOKC-LBPRGKRZSA-N 2 2 339.361 3.405 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]CCCO[C@@H]1CCCc3ccccc31)CCC2 ZINC000657365733 462075293 /nfs/dbraw/zinc/07/52/93/462075293.db2.gz GDUIURAIFRRHKB-LJQANCHMSA-N 2 2 325.456 3.403 20 0 EGADLP C[C@@H](CC[NH2+]Cc1ccnn1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC000657384025 462086339 /nfs/dbraw/zinc/08/63/39/462086339.db2.gz QPMAYJPOJMXEAO-KRWDZBQOSA-N 2 2 326.488 3.293 20 0 EGADLP C[C@@H](CC[NH2+]Cc1ccnn1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC000657384025 462086349 /nfs/dbraw/zinc/08/63/49/462086349.db2.gz QPMAYJPOJMXEAO-KRWDZBQOSA-N 2 2 326.488 3.293 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657388178 462091165 /nfs/dbraw/zinc/09/11/65/462091165.db2.gz HCLFYYGGVFMULQ-YLJYHZDGSA-N 2 2 338.499 3.436 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657388178 462091171 /nfs/dbraw/zinc/09/11/71/462091171.db2.gz HCLFYYGGVFMULQ-YLJYHZDGSA-N 2 2 338.499 3.436 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000657390172 462092559 /nfs/dbraw/zinc/09/25/59/462092559.db2.gz TVOMGCMOVWOYCX-UHFFFAOYSA-N 2 2 342.487 3.280 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661090551 462097246 /nfs/dbraw/zinc/09/72/46/462097246.db2.gz BEGJEDMGNYGGCV-OAQYLSRUSA-N 2 2 335.451 3.216 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661090551 462097250 /nfs/dbraw/zinc/09/72/50/462097250.db2.gz BEGJEDMGNYGGCV-OAQYLSRUSA-N 2 2 335.451 3.216 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000648451835 462124902 /nfs/dbraw/zinc/12/49/02/462124902.db2.gz OFHSUNPBNXGKPG-DLBZAZTESA-N 2 2 326.550 3.285 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000667533001 462130600 /nfs/dbraw/zinc/13/06/00/462130600.db2.gz BSVWBMMACCNCEJ-WBVHZDCISA-N 2 2 329.444 3.203 20 0 EGADLP FC(F)(F)COc1cccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657456350 462136621 /nfs/dbraw/zinc/13/66/21/462136621.db2.gz XBZHPPQDULVKHH-UHFFFAOYSA-N 2 2 339.361 3.103 20 0 EGADLP Fc1ccc(OC(F)F)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000657460141 462138602 /nfs/dbraw/zinc/13/86/02/462138602.db2.gz SATLYENEXJURDZ-UHFFFAOYSA-N 2 2 325.334 3.250 20 0 EGADLP CCc1ccc([C@@H](CNCc2c[nH+]c(C)n2C)[NH+](CC)CC)cc1 ZINC000657473775 462145108 /nfs/dbraw/zinc/14/51/08/462145108.db2.gz QVOYWOPQDFPBHG-HXUWFJFHSA-N 2 2 328.504 3.464 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(-n2cccn2)c(F)c1 ZINC000657474433 462146458 /nfs/dbraw/zinc/14/64/58/462146458.db2.gz JIGCMRCCDMTMBK-ZDUSSCGKSA-N 2 2 325.391 3.005 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667587122 462159907 /nfs/dbraw/zinc/15/99/07/462159907.db2.gz HUKDAMHNDCTEEZ-AWEZNQCLSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667587122 462159914 /nfs/dbraw/zinc/15/99/14/462159914.db2.gz HUKDAMHNDCTEEZ-AWEZNQCLSA-N 2 2 335.249 3.186 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)c2[nH+]cnc3[nH]c(C)c(C)c32)c1C ZINC000645144590 462200130 /nfs/dbraw/zinc/20/01/30/462200130.db2.gz XZXACOLJKUXZIB-UHFFFAOYSA-N 2 2 325.416 3.232 20 0 EGADLP Cc1c(Br)cncc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000667668312 462201026 /nfs/dbraw/zinc/20/10/26/462201026.db2.gz JKSOBBYUPNCOIR-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000667668312 462201030 /nfs/dbraw/zinc/20/10/30/462201030.db2.gz JKSOBBYUPNCOIR-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1c(Br)cncc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000667668312 462201037 /nfs/dbraw/zinc/20/10/37/462201037.db2.gz JKSOBBYUPNCOIR-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1c(Br)cncc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000667668312 462201043 /nfs/dbraw/zinc/20/10/43/462201043.db2.gz JKSOBBYUPNCOIR-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667700329 462221373 /nfs/dbraw/zinc/22/13/73/462221373.db2.gz YOLYWEUXXXYIEF-ZWOKBUDYSA-N 2 2 343.471 3.380 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667700329 462221375 /nfs/dbraw/zinc/22/13/75/462221375.db2.gz YOLYWEUXXXYIEF-ZWOKBUDYSA-N 2 2 343.471 3.380 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c2c1C ZINC000645217552 462238869 /nfs/dbraw/zinc/23/88/69/462238869.db2.gz FLIQFJCBYUMESC-AWEZNQCLSA-N 2 2 336.443 3.101 20 0 EGADLP Clc1ccc(Cl)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750225 462250207 /nfs/dbraw/zinc/25/02/07/462250207.db2.gz DSBWIINBFVXSAM-HNNXBMFYSA-N 2 2 329.271 3.336 20 0 EGADLP c1csc(-c2nc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cs2)c1 ZINC000657751897 462251765 /nfs/dbraw/zinc/25/17/65/462251765.db2.gz VNJVCQWWTLSUMC-OAHLLOKOSA-N 2 2 349.525 3.215 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812475 462279548 /nfs/dbraw/zinc/27/95/48/462279548.db2.gz DEBSJJMXYYHARG-PGRDOPGGSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812475 462279552 /nfs/dbraw/zinc/27/95/52/462279552.db2.gz DEBSJJMXYYHARG-PGRDOPGGSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C(F)F)nc1 ZINC000657829793 462287183 /nfs/dbraw/zinc/28/71/83/462287183.db2.gz IIFJMQNKUVFWCN-MCIONIFRSA-N 2 2 327.419 3.169 20 0 EGADLP c1cc2c(c(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)c1)CCC2 ZINC000651682149 462301646 /nfs/dbraw/zinc/30/16/46/462301646.db2.gz OAXYBRFDRJEZHU-UHFFFAOYSA-N 2 2 336.479 3.297 20 0 EGADLP CC(C)C[N@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000651865921 462360680 /nfs/dbraw/zinc/36/06/80/462360680.db2.gz MWGLJXJHJFHJIC-GOSISDBHSA-N 2 2 332.467 3.216 20 0 EGADLP CC(C)C[N@@H+](C)CCCN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000651865921 462360687 /nfs/dbraw/zinc/36/06/87/462360687.db2.gz MWGLJXJHJFHJIC-GOSISDBHSA-N 2 2 332.467 3.216 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CCCC1 ZINC000665247465 462368032 /nfs/dbraw/zinc/36/80/32/462368032.db2.gz CHBMTCSMVXNCBL-CYBMUJFWSA-N 2 2 327.241 3.437 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283677 462383173 /nfs/dbraw/zinc/38/31/73/462383173.db2.gz SBUNJYXJHOQERI-BLLLJJGKSA-N 2 2 338.373 3.475 20 0 EGADLP C1=C(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000645786832 462426495 /nfs/dbraw/zinc/42/64/95/462426495.db2.gz DLJDBGQBMAESPG-FQEVSTJZSA-N 2 2 340.515 3.026 20 0 EGADLP C1=C(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000645786832 462426498 /nfs/dbraw/zinc/42/64/98/462426498.db2.gz DLJDBGQBMAESPG-FQEVSTJZSA-N 2 2 340.515 3.026 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000654967953 462433273 /nfs/dbraw/zinc/43/32/73/462433273.db2.gz GLOXPBFOZMKIOF-MDKPJZGXSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@H]1CC[C@@](C)(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000654967953 462433274 /nfs/dbraw/zinc/43/32/74/462433274.db2.gz GLOXPBFOZMKIOF-MDKPJZGXSA-N 2 2 349.563 3.076 20 0 EGADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652132943 462445435 /nfs/dbraw/zinc/44/54/35/462445435.db2.gz BSAIFZCEMRYWHS-HNNXBMFYSA-N 2 2 333.432 3.040 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138769 462447411 /nfs/dbraw/zinc/44/74/11/462447411.db2.gz PSWZWAHPMQCXRW-IIBYNOLFSA-N 2 2 337.467 3.254 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138769 462447415 /nfs/dbraw/zinc/44/74/15/462447415.db2.gz PSWZWAHPMQCXRW-IIBYNOLFSA-N 2 2 337.467 3.254 20 0 EGADLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156520 462454607 /nfs/dbraw/zinc/45/46/07/462454607.db2.gz FUMFGFGIJZHTLH-GOEBONIOSA-N 2 2 336.476 3.095 20 0 EGADLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652156520 462454611 /nfs/dbraw/zinc/45/46/11/462454611.db2.gz FUMFGFGIJZHTLH-GOEBONIOSA-N 2 2 336.476 3.095 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285357 462455773 /nfs/dbraw/zinc/45/57/73/462455773.db2.gz KSLYAWYCWRYGIM-CTNGQTDRSA-N 2 2 339.483 3.448 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285357 462455777 /nfs/dbraw/zinc/45/57/77/462455777.db2.gz KSLYAWYCWRYGIM-CTNGQTDRSA-N 2 2 339.483 3.448 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288646 462457369 /nfs/dbraw/zinc/45/73/69/462457369.db2.gz XCCGPVZQEIBORH-AEFFLSMTSA-N 2 2 342.487 3.134 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000658288646 462457374 /nfs/dbraw/zinc/45/73/74/462457374.db2.gz XCCGPVZQEIBORH-AEFFLSMTSA-N 2 2 342.487 3.134 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287846 462457479 /nfs/dbraw/zinc/45/74/79/462457479.db2.gz OADMDQDZBAPEHI-GDBMZVCRSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287846 462457484 /nfs/dbraw/zinc/45/74/84/462457484.db2.gz OADMDQDZBAPEHI-GDBMZVCRSA-N 2 2 337.895 3.439 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658292820 462460101 /nfs/dbraw/zinc/46/01/01/462460101.db2.gz BVBDSPKCFBFTML-HKBOAZHASA-N 2 2 328.500 3.340 20 0 EGADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658295060 462461979 /nfs/dbraw/zinc/46/19/79/462461979.db2.gz QYHVHOYLNFOWIS-UYAOXDASSA-N 2 2 344.499 3.360 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649311530 462476049 /nfs/dbraw/zinc/47/60/49/462476049.db2.gz XSRNAPQTICBZLJ-HNNXBMFYSA-N 2 2 333.338 3.057 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000658354944 462489043 /nfs/dbraw/zinc/48/90/43/462489043.db2.gz DFJDWEBCQUKUGB-RHSMWYFYSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000658354944 462489048 /nfs/dbraw/zinc/48/90/48/462489048.db2.gz DFJDWEBCQUKUGB-RHSMWYFYSA-N 2 2 329.444 3.170 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933671 536465253 /nfs/dbraw/zinc/46/52/53/536465253.db2.gz SNILNPKSUUABKR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933671 536465256 /nfs/dbraw/zinc/46/52/56/536465256.db2.gz SNILNPKSUUABKR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933671 536465258 /nfs/dbraw/zinc/46/52/58/536465258.db2.gz SNILNPKSUUABKR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933671 536465260 /nfs/dbraw/zinc/46/52/60/536465260.db2.gz SNILNPKSUUABKR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncc(Br)cc2F)C1 ZINC000187048568 528255592 /nfs/dbraw/zinc/25/55/92/528255592.db2.gz YKSOCEZNYSWAHP-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncc(Br)cc2F)C1 ZINC000187048568 528255596 /nfs/dbraw/zinc/25/55/96/528255596.db2.gz YKSOCEZNYSWAHP-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1)C(C)C ZINC000153408949 528775762 /nfs/dbraw/zinc/77/57/62/528775762.db2.gz WZMXTDDLAOVAIK-QGZVFWFLSA-N 2 2 342.487 3.180 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1)C(C)C ZINC000153408949 528775766 /nfs/dbraw/zinc/77/57/66/528775766.db2.gz WZMXTDDLAOVAIK-QGZVFWFLSA-N 2 2 342.487 3.180 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000264099603 535003988 /nfs/dbraw/zinc/00/39/88/535003988.db2.gz RJFAGKCSKMASLN-UHFFFAOYSA-N 2 2 347.484 3.359 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000264099603 535003995 /nfs/dbraw/zinc/00/39/95/535003995.db2.gz RJFAGKCSKMASLN-UHFFFAOYSA-N 2 2 347.484 3.359 20 0 EGADLP CCCc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000264105110 535522497 /nfs/dbraw/zinc/52/24/97/535522497.db2.gz SCIRZSVMUZKIEF-UHFFFAOYSA-N 2 2 342.487 3.366 20 0 EGADLP CCCc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000264105110 535522502 /nfs/dbraw/zinc/52/25/02/535522502.db2.gz SCIRZSVMUZKIEF-UHFFFAOYSA-N 2 2 342.487 3.366 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187097083 535597332 /nfs/dbraw/zinc/59/73/32/535597332.db2.gz SEXOXUURIFWDGQ-CQSZACIVSA-N 2 2 333.501 3.469 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187097083 535597337 /nfs/dbraw/zinc/59/73/37/535597337.db2.gz SEXOXUURIFWDGQ-CQSZACIVSA-N 2 2 333.501 3.469 20 0 EGADLP CCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000344546512 535724036 /nfs/dbraw/zinc/72/40/36/535724036.db2.gz TWTMMMCFGHNJJW-INIZCTEOSA-N 2 2 329.444 3.266 20 0 EGADLP COc1ccc(F)c(C[N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)c1 ZINC000353011186 536598501 /nfs/dbraw/zinc/59/85/01/536598501.db2.gz YOCUSEVQGJZYRW-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)c1 ZINC000353011186 536598506 /nfs/dbraw/zinc/59/85/06/536598506.db2.gz YOCUSEVQGJZYRW-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)c1 ZINC000353011186 536598510 /nfs/dbraw/zinc/59/85/10/536598510.db2.gz YOCUSEVQGJZYRW-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)c(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)c1 ZINC000353011186 536598514 /nfs/dbraw/zinc/59/85/14/536598514.db2.gz YOCUSEVQGJZYRW-OXQOHEQNSA-N 2 2 343.446 3.354 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000090418969 546657763 /nfs/dbraw/zinc/65/77/63/546657763.db2.gz BJKLCEXFBCIIAI-HNNXBMFYSA-N 2 2 337.533 3.385 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc4c(c3)OCCO4)[nH+]c12 ZINC000156322307 546910209 /nfs/dbraw/zinc/91/02/09/546910209.db2.gz WDSZWAHFWKSWBA-OAHLLOKOSA-N 2 2 337.423 3.307 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000163738134 546974479 /nfs/dbraw/zinc/97/44/79/546974479.db2.gz RCFJMWUIADMCOZ-ZDUSSCGKSA-N 2 2 341.293 3.211 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000192745116 547204755 /nfs/dbraw/zinc/20/47/55/547204755.db2.gz OEUUWTFUGTWYEW-OAHLLOKOSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000192745116 547204758 /nfs/dbraw/zinc/20/47/58/547204758.db2.gz OEUUWTFUGTWYEW-OAHLLOKOSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000192745116 547204762 /nfs/dbraw/zinc/20/47/62/547204762.db2.gz OEUUWTFUGTWYEW-OAHLLOKOSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000192745116 547204764 /nfs/dbraw/zinc/20/47/64/547204764.db2.gz OEUUWTFUGTWYEW-OAHLLOKOSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@H](C)O1 ZINC000248061034 547295256 /nfs/dbraw/zinc/29/52/56/547295256.db2.gz YJMCNECQUTXCHV-VBQJREDUSA-N 2 2 338.492 3.452 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3c(F)cccc32)C[C@H](C)O1 ZINC000248061034 547295260 /nfs/dbraw/zinc/29/52/60/547295260.db2.gz YJMCNECQUTXCHV-VBQJREDUSA-N 2 2 338.492 3.452 20 0 EGADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290904478 547412261 /nfs/dbraw/zinc/41/22/61/547412261.db2.gz FUWDYGAURXDATP-UHFFFAOYSA-N 2 2 347.344 3.303 20 0 EGADLP c1cn2c(cccc2C[NH+]2CCC3(CC2)OCCc2ccsc23)[nH+]1 ZINC000353146002 547692694 /nfs/dbraw/zinc/69/26/94/547692694.db2.gz BGVPIBNHZOYMDG-UHFFFAOYSA-N 2 2 339.464 3.460 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000359007610 547748839 /nfs/dbraw/zinc/74/88/39/547748839.db2.gz UWOSHOHSOCSSRF-AEFFLSMTSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000359007610 547748843 /nfs/dbraw/zinc/74/88/43/547748843.db2.gz UWOSHOHSOCSSRF-AEFFLSMTSA-N 2 2 330.472 3.298 20 0 EGADLP c1nc(C2CC2)c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000486972540 547969506 /nfs/dbraw/zinc/96/95/06/547969506.db2.gz VERQCRGDDMXLIH-UHFFFAOYSA-N 2 2 328.485 3.170 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000673600438 548580661 /nfs/dbraw/zinc/58/06/61/548580661.db2.gz WKQCAQBHQFCRPI-ZBEGNZNMSA-N 2 2 343.284 3.449 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000674408487 548749601 /nfs/dbraw/zinc/74/96/01/548749601.db2.gz FAKKLAANFPOZBB-MRXNPFEDSA-N 2 2 341.459 3.083 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCCO2 ZINC000675881148 548995819 /nfs/dbraw/zinc/99/58/19/548995819.db2.gz JYKBEBJPJTZDCW-PKOBYXMFSA-N 2 2 348.462 3.272 20 0 EGADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882851 548996989 /nfs/dbraw/zinc/99/69/89/548996989.db2.gz UFDXRPZELJWOMK-WMZOPIPTSA-N 2 2 332.488 3.379 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476779 549094453 /nfs/dbraw/zinc/09/44/53/549094453.db2.gz BDKGPWJGOCYZGM-FUHWJXTLSA-N 2 2 332.492 3.090 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476779 549094456 /nfs/dbraw/zinc/09/44/56/549094456.db2.gz BDKGPWJGOCYZGM-FUHWJXTLSA-N 2 2 332.492 3.090 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000677184021 549225087 /nfs/dbraw/zinc/22/50/87/549225087.db2.gz WTVWAWCNFGAGSM-INIZCTEOSA-N 2 2 339.439 3.349 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000677184021 549225092 /nfs/dbraw/zinc/22/50/92/549225092.db2.gz WTVWAWCNFGAGSM-INIZCTEOSA-N 2 2 339.439 3.349 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000677437158 549269660 /nfs/dbraw/zinc/26/96/60/549269660.db2.gz GEEOWFVRKKTBNY-UHFFFAOYSA-N 2 2 331.504 3.487 20 0 EGADLP CC(C)(C)C1CCC(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000678080298 549391690 /nfs/dbraw/zinc/39/16/90/549391690.db2.gz XJIBGQDIHVPIEH-TVPLGVNVSA-N 2 2 349.563 3.253 20 0 EGADLP CC(C)(C)C1CCC(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000678080298 549391695 /nfs/dbraw/zinc/39/16/95/549391695.db2.gz XJIBGQDIHVPIEH-TVPLGVNVSA-N 2 2 349.563 3.253 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1)CC1CC1 ZINC000678430213 549490300 /nfs/dbraw/zinc/49/03/00/549490300.db2.gz ASOUTWCYACEUBT-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1)CC1CC1 ZINC000678430213 549490304 /nfs/dbraw/zinc/49/03/04/549490304.db2.gz ASOUTWCYACEUBT-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP COc1ccc(-c2cc(C[N@H+](C)CCCn3cc[nH+]c3)on2)cc1 ZINC000678721718 549548788 /nfs/dbraw/zinc/54/87/88/549548788.db2.gz KKPKYUGJFLADDV-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+](C)CCCn3cc[nH+]c3)on2)cc1 ZINC000678721718 549548790 /nfs/dbraw/zinc/54/87/90/549548790.db2.gz KKPKYUGJFLADDV-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783740 549560560 /nfs/dbraw/zinc/56/05/60/549560560.db2.gz QSJGGRNQALSEIJ-YLJYHZDGSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783740 549560566 /nfs/dbraw/zinc/56/05/66/549560566.db2.gz QSJGGRNQALSEIJ-YLJYHZDGSA-N 2 2 348.437 3.498 20 0 EGADLP c1cn2c(cccc2C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000678813890 549567311 /nfs/dbraw/zinc/56/73/11/549567311.db2.gz PIFQSDLCJVHQFA-UHFFFAOYSA-N 3 2 326.488 3.422 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678924292 549595463 /nfs/dbraw/zinc/59/54/63/549595463.db2.gz JAMCKAHIZKRWIE-GOSISDBHSA-N 2 2 326.488 3.180 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000678924292 549595464 /nfs/dbraw/zinc/59/54/64/549595464.db2.gz JAMCKAHIZKRWIE-GOSISDBHSA-N 2 2 326.488 3.180 20 0 EGADLP Cc1nc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)s1 ZINC000678939410 549599585 /nfs/dbraw/zinc/59/95/85/549599585.db2.gz STMXMVYQGUNBRC-MLGOLLRUSA-N 2 2 345.516 3.468 20 0 EGADLP Cc1ncc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000679081018 549631627 /nfs/dbraw/zinc/63/16/27/549631627.db2.gz UZMASHUHHPPVMC-SWLSCSKDSA-N 2 2 331.489 3.160 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462535 549868210 /nfs/dbraw/zinc/86/82/10/549868210.db2.gz OXZPGHOQYQPLMV-OALUTQOASA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462535 549868214 /nfs/dbraw/zinc/86/82/14/549868214.db2.gz OXZPGHOQYQPLMV-OALUTQOASA-N 2 2 326.488 3.373 20 0 EGADLP Cc1ccc2c(C)cc(N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)[nH+]c2c1 ZINC000680856346 549919448 /nfs/dbraw/zinc/91/94/48/549919448.db2.gz WQKFEJHFZBFMBX-SFHVURJKSA-N 2 2 338.499 3.068 20 0 EGADLP Cc1ccc2c(C)cc(N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[nH+]c2c1 ZINC000680856346 549919451 /nfs/dbraw/zinc/91/94/51/549919451.db2.gz WQKFEJHFZBFMBX-SFHVURJKSA-N 2 2 338.499 3.068 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643843 550125594 /nfs/dbraw/zinc/12/55/94/550125594.db2.gz QXLGDXLUGFXDJG-WOJBJXKFSA-N 2 2 340.515 3.414 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643843 550125597 /nfs/dbraw/zinc/12/55/97/550125597.db2.gz QXLGDXLUGFXDJG-WOJBJXKFSA-N 2 2 340.515 3.414 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204248 550303725 /nfs/dbraw/zinc/30/37/25/550303725.db2.gz IDPDTBXQUZZCBG-SFTDATJTSA-N 2 2 326.484 3.206 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204248 550303727 /nfs/dbraw/zinc/30/37/27/550303727.db2.gz IDPDTBXQUZZCBG-SFTDATJTSA-N 2 2 326.484 3.206 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[NH+]3CCC(C)CC3)cc2n1C ZINC000684395633 550324685 /nfs/dbraw/zinc/32/46/85/550324685.db2.gz XUEXOMUFZVTSJJ-UHFFFAOYSA-N 2 2 342.487 3.124 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000684821203 550373220 /nfs/dbraw/zinc/37/32/20/550373220.db2.gz WQFOZTCKERBSQY-SFHVURJKSA-N 2 2 334.423 3.328 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000684821203 550373222 /nfs/dbraw/zinc/37/32/22/550373222.db2.gz WQFOZTCKERBSQY-SFHVURJKSA-N 2 2 334.423 3.328 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cn2[nH]c(C(C)(C)C)nc2=S)CC1 ZINC000738088702 574701512 /nfs/dbraw/zinc/70/15/12/574701512.db2.gz GMAUIZSYKHCVGH-UHFFFAOYSA-N 2 2 339.553 3.248 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2[nH]c(C(C)(C)C)nc2=S)CC1 ZINC000738088702 574701514 /nfs/dbraw/zinc/70/15/14/574701514.db2.gz GMAUIZSYKHCVGH-UHFFFAOYSA-N 2 2 339.553 3.248 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc1OCc1ccccc1 ZINC000729681832 574878122 /nfs/dbraw/zinc/87/81/22/574878122.db2.gz KOISXKOKBMOVPX-GOSISDBHSA-N 2 2 326.440 3.068 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000729681832 574878123 /nfs/dbraw/zinc/87/81/23/574878123.db2.gz KOISXKOKBMOVPX-GOSISDBHSA-N 2 2 326.440 3.068 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1OCc1ccc(F)cc1 ZINC000729682437 574878427 /nfs/dbraw/zinc/87/84/27/574878427.db2.gz RBXGCHYUIOZPGT-GOSISDBHSA-N 2 2 344.430 3.207 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1OCc1ccc(F)cc1 ZINC000729682437 574878428 /nfs/dbraw/zinc/87/84/28/574878428.db2.gz RBXGCHYUIOZPGT-GOSISDBHSA-N 2 2 344.430 3.207 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000729683426 574878939 /nfs/dbraw/zinc/87/89/39/574878939.db2.gz MSANZKVBXMMNBV-IEBWSBKVSA-N 2 2 326.440 3.208 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000729683426 574878941 /nfs/dbraw/zinc/87/89/41/574878941.db2.gz MSANZKVBXMMNBV-IEBWSBKVSA-N 2 2 326.440 3.208 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000309947518 574980946 /nfs/dbraw/zinc/98/09/46/574980946.db2.gz QPWRCDMESJUZQO-OWCLPIDISA-N 2 2 336.480 3.039 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2occc2Br)C1 ZINC000735321253 575642969 /nfs/dbraw/zinc/64/29/69/575642969.db2.gz ZVQDDJUSILWNAV-STQMWFEESA-N 2 2 329.282 3.500 20 0 EGADLP C[C@@H](CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+]1CCCCC1 ZINC000736973795 576068402 /nfs/dbraw/zinc/06/84/02/576068402.db2.gz RRJCAAMBJIRVAT-HNNXBMFYSA-N 2 2 341.459 3.083 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000741280886 576671551 /nfs/dbraw/zinc/67/15/51/576671551.db2.gz ZRRFUCKVOGZJNL-UHFFFAOYSA-N 2 2 346.500 3.299 20 0 EGADLP c1cc(-c2ccn(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cs1 ZINC000742168557 576754879 /nfs/dbraw/zinc/75/48/79/576754879.db2.gz CRZJEJMOYIEZJU-MRXNPFEDSA-N 2 2 330.501 3.377 20 0 EGADLP c1cc(-c2ccn(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cs1 ZINC000742168557 576754880 /nfs/dbraw/zinc/75/48/80/576754880.db2.gz CRZJEJMOYIEZJU-MRXNPFEDSA-N 2 2 330.501 3.377 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)c(Cl)nc21 ZINC000742733994 576794469 /nfs/dbraw/zinc/79/44/69/576794469.db2.gz UJLZHWQRLCCBKJ-AWEZNQCLSA-N 2 2 349.910 3.486 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)c(Cl)nc21 ZINC000742733994 576794470 /nfs/dbraw/zinc/79/44/70/576794470.db2.gz UJLZHWQRLCCBKJ-AWEZNQCLSA-N 2 2 349.910 3.486 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@H]21 ZINC000693698134 1298150803 /nfs/dbraw/zinc/15/08/03/1298150803.db2.gz TWQRCQVVVYRPIK-VAMGGRTRSA-N 3 2 327.516 3.017 20 0 EGADLP CC[N@H+](CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000695190897 1298158140 /nfs/dbraw/zinc/15/81/40/1298158140.db2.gz DFPGDSFDYSUAMS-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP CC[N@@H+](CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000695190897 1298158147 /nfs/dbraw/zinc/15/81/47/1298158147.db2.gz DFPGDSFDYSUAMS-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000052070240 1291691501 /nfs/dbraw/zinc/69/15/01/1291691501.db2.gz NHTJGXOJJZQOMX-UHFFFAOYSA-N 2 2 337.895 3.475 20 0 EGADLP c1cnn(-c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2)c1 ZINC000066876440 1292131607 /nfs/dbraw/zinc/13/16/07/1292131607.db2.gz IMFOGWDHEDZIEO-UHFFFAOYSA-N 2 2 329.407 3.348 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000080338721 1292596362 /nfs/dbraw/zinc/59/63/62/1292596362.db2.gz AWYWULMMINLYOU-RDJZCZTQSA-N 2 2 344.528 3.352 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000080338721 1292596366 /nfs/dbraw/zinc/59/63/66/1292596366.db2.gz AWYWULMMINLYOU-RDJZCZTQSA-N 2 2 344.528 3.352 20 0 EGADLP O=C(c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1)N1CCCC1 ZINC000080973713 1292632682 /nfs/dbraw/zinc/63/26/82/1292632682.db2.gz IGJLHNLPHBBGOV-SFHVURJKSA-N 2 2 338.455 3.025 20 0 EGADLP O=C(c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1)N1CCCC1 ZINC000080973713 1292632691 /nfs/dbraw/zinc/63/26/91/1292632691.db2.gz IGJLHNLPHBBGOV-SFHVURJKSA-N 2 2 338.455 3.025 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834615853 1293123765 /nfs/dbraw/zinc/12/37/65/1293123765.db2.gz JHYBGPOSKCRLLG-HZPDHXFCSA-N 2 2 348.491 3.261 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850859 1293156485 /nfs/dbraw/zinc/15/64/85/1293156485.db2.gz QXUYKQXUPRYKSW-UKRRQHHQSA-N 2 2 344.471 3.499 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850859 1293156487 /nfs/dbraw/zinc/15/64/87/1293156487.db2.gz QXUYKQXUPRYKSW-UKRRQHHQSA-N 2 2 344.471 3.499 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(C4OCCO4)cc3)cc2)c[nH+]1 ZINC000114216955 1293161879 /nfs/dbraw/zinc/16/18/79/1293161879.db2.gz BCIISQGATGQTQB-UHFFFAOYSA-N 2 2 335.407 3.208 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1nc(C)cs1 ZINC000117383014 1293220863 /nfs/dbraw/zinc/22/08/63/1293220863.db2.gz JMVJGDPVMKMNSV-UHFFFAOYSA-N 2 2 333.501 3.462 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000122344900 1293409337 /nfs/dbraw/zinc/40/93/37/1293409337.db2.gz MMEARZLSXZFKKG-MRXNPFEDSA-N 2 2 341.503 3.289 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)c2)c[nH+]1 ZINC000131031059 1293677111 /nfs/dbraw/zinc/67/71/11/1293677111.db2.gz LRNVRLQZQDFGRI-UHFFFAOYSA-N 2 2 347.466 3.216 20 0 EGADLP Cc1cccc([C@H](O)C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000131762040 1293699795 /nfs/dbraw/zinc/69/97/95/1293699795.db2.gz ZLYNYVLLEYSOBF-OAQYLSRUSA-N 2 2 335.451 3.427 20 0 EGADLP Cc1cccc([C@H](O)C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000131762040 1293699802 /nfs/dbraw/zinc/69/98/02/1293699802.db2.gz ZLYNYVLLEYSOBF-OAQYLSRUSA-N 2 2 335.451 3.427 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccsc3)CC2)cc1 ZINC000154526456 1294059396 /nfs/dbraw/zinc/05/93/96/1294059396.db2.gz FOLDHVBYPZYNMF-LJQANCHMSA-N 2 2 345.512 3.106 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000159353019 1294233471 /nfs/dbraw/zinc/23/34/71/1294233471.db2.gz JCDHBRRUYJIYTH-QGZVFWFLSA-N 2 2 341.503 3.304 20 0 EGADLP CCC(CC)[C@H](O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000162233609 1294310846 /nfs/dbraw/zinc/31/08/46/1294310846.db2.gz LJYZKQJWTLXPMA-HXUWFJFHSA-N 2 2 333.520 3.108 20 0 EGADLP C[C@H](CC(=O)OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000870667163 1296007774 /nfs/dbraw/zinc/00/77/74/1296007774.db2.gz UBSCGAPGRUZWEO-LMMKCTJWSA-N 2 2 341.455 3.146 20 0 EGADLP C[C@H](CC(=O)OC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000870667163 1296007777 /nfs/dbraw/zinc/00/77/77/1296007777.db2.gz UBSCGAPGRUZWEO-LMMKCTJWSA-N 2 2 341.455 3.146 20 0 EGADLP C[NH+](C)C1(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CCC1 ZINC000230977016 1296167698 /nfs/dbraw/zinc/16/76/98/1296167698.db2.gz DMAZXCZTQAHZSI-UHFFFAOYSA-N 2 2 327.513 3.096 20 0 EGADLP Cc1cn2c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c(C)nc2s1 ZINC000237922547 1296272077 /nfs/dbraw/zinc/27/20/77/1296272077.db2.gz XLDLFVBUUZQMAA-UHFFFAOYSA-N 2 2 337.452 3.488 20 0 EGADLP c1cn(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347432 1296348500 /nfs/dbraw/zinc/34/85/00/1296348500.db2.gz MGMJXDQXNDCUKN-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347432 1296348515 /nfs/dbraw/zinc/34/85/15/1296348515.db2.gz MGMJXDQXNDCUKN-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347432 1296348528 /nfs/dbraw/zinc/34/85/28/1296348528.db2.gz MGMJXDQXNDCUKN-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000246347432 1296348542 /nfs/dbraw/zinc/34/85/42/1296348542.db2.gz MGMJXDQXNDCUKN-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1F ZINC000872058564 1296705665 /nfs/dbraw/zinc/70/56/65/1296705665.db2.gz VRTCLNZUGFUAAE-UKRRQHHQSA-N 2 2 344.434 3.240 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CCC1 ZINC000310031292 1297083613 /nfs/dbraw/zinc/08/36/13/1297083613.db2.gz WIKCIVAQSXWTSP-CVEARBPZSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000873206984 1297351773 /nfs/dbraw/zinc/35/17/73/1297351773.db2.gz HHEZEGDONWHAIQ-RDTXWAMCSA-N 2 2 328.481 3.356 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@@H](c2ccccc2)CO1 ZINC000873206984 1297351784 /nfs/dbraw/zinc/35/17/84/1297351784.db2.gz HHEZEGDONWHAIQ-RDTXWAMCSA-N 2 2 328.481 3.356 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664079 1297508517 /nfs/dbraw/zinc/50/85/17/1297508517.db2.gz PASDGHVWPOMNAV-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365664079 1297508520 /nfs/dbraw/zinc/50/85/20/1297508520.db2.gz PASDGHVWPOMNAV-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120069 1297607678 /nfs/dbraw/zinc/60/76/78/1297607678.db2.gz CBMFVTZQDPNSHP-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120069 1297607691 /nfs/dbraw/zinc/60/76/91/1297607691.db2.gz CBMFVTZQDPNSHP-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000396721059 1297690625 /nfs/dbraw/zinc/69/06/25/1297690625.db2.gz QOIMAHZVWPBQCD-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693875589 1298153512 /nfs/dbraw/zinc/15/35/12/1298153512.db2.gz DBRDZEDTVHRTMT-GPANFISMSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693875589 1298153514 /nfs/dbraw/zinc/15/35/14/1298153514.db2.gz DBRDZEDTVHRTMT-GPANFISMSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000712454043 1298265994 /nfs/dbraw/zinc/26/59/94/1298265994.db2.gz XVVGKELVJNWFHX-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712454043 1298266003 /nfs/dbraw/zinc/26/60/03/1298266003.db2.gz XVVGKELVJNWFHX-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(Br)s1 ZINC000714067753 1298272952 /nfs/dbraw/zinc/27/29/52/1298272952.db2.gz MYZJJYJMFPDWDR-SNVBAGLBSA-N 2 2 343.294 3.307 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000724030518 1298344915 /nfs/dbraw/zinc/34/49/15/1298344915.db2.gz UCASZODWSJYCTF-IKGGRYGDSA-N 2 2 339.524 3.144 20 0 EGADLP O[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000746659259 1298635832 /nfs/dbraw/zinc/63/58/32/1298635832.db2.gz MTWQUWCOBOLMHY-NRFANRHFSA-N 2 2 342.458 3.285 20 0 EGADLP O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000746659259 1298635838 /nfs/dbraw/zinc/63/58/38/1298635838.db2.gz MTWQUWCOBOLMHY-NRFANRHFSA-N 2 2 342.458 3.285 20 0 EGADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC000876930672 1299072462 /nfs/dbraw/zinc/07/24/62/1299072462.db2.gz ZFYYUMPEWGCNNE-IRXDYDNUSA-N 2 2 331.504 3.478 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1cccc(F)c1 ZINC000749116181 1299145573 /nfs/dbraw/zinc/14/55/73/1299145573.db2.gz JKDWJRQHOPSHLG-KUHUBIRLSA-N 2 2 325.387 3.223 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125639 1299764632 /nfs/dbraw/zinc/76/46/32/1299764632.db2.gz PORMUISCAGNTGN-MJGOQNOKSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125639 1299764637 /nfs/dbraw/zinc/76/46/37/1299764637.db2.gz PORMUISCAGNTGN-MJGOQNOKSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511898 1300045100 /nfs/dbraw/zinc/04/51/00/1300045100.db2.gz IRJWVFVUGITJQO-HKUYNNGSSA-N 2 2 331.504 3.153 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511898 1300045110 /nfs/dbraw/zinc/04/51/10/1300045110.db2.gz IRJWVFVUGITJQO-HKUYNNGSSA-N 2 2 331.504 3.153 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878663318 1300132938 /nfs/dbraw/zinc/13/29/38/1300132938.db2.gz YAHPPAZFJGPQPE-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878663318 1300132944 /nfs/dbraw/zinc/13/29/44/1300132944.db2.gz YAHPPAZFJGPQPE-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878663318 1300132952 /nfs/dbraw/zinc/13/29/52/1300132952.db2.gz YAHPPAZFJGPQPE-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878663318 1300132958 /nfs/dbraw/zinc/13/29/58/1300132958.db2.gz YAHPPAZFJGPQPE-FPOVZHCZSA-N 2 2 343.515 3.154 20 0 EGADLP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000758346130 1300857587 /nfs/dbraw/zinc/85/75/87/1300857587.db2.gz ZWSKRZPTHBORNK-CYBMUJFWSA-N 2 2 348.434 3.500 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1-n1cc[nH+]c1 ZINC000762619390 1301715813 /nfs/dbraw/zinc/71/58/13/1301715813.db2.gz YRRLVHKSLLXNPO-PVAVHDDUSA-N 2 2 349.500 3.481 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(C)nn1 ZINC000883208228 1302306636 /nfs/dbraw/zinc/30/66/36/1302306636.db2.gz BNJJAMSVYYTVGP-UHFFFAOYSA-N 2 2 338.459 3.089 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cn3)c2)CCO1 ZINC000885943192 1303290093 /nfs/dbraw/zinc/29/00/93/1303290093.db2.gz ZDHYBSYPTDTTNG-OAHLLOKOSA-N 2 2 345.874 3.246 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cn3)c2)CCO1 ZINC000885943192 1303290096 /nfs/dbraw/zinc/29/00/96/1303290096.db2.gz ZDHYBSYPTDTTNG-OAHLLOKOSA-N 2 2 345.874 3.246 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@H]3CCCC[C@H]3C)CC2)[nH+]c1C ZINC000886664674 1303545627 /nfs/dbraw/zinc/54/56/27/1303545627.db2.gz UNLDZGJQAUDTRU-KDOFPFPSSA-N 2 2 346.519 3.243 20 0 EGADLP CCN(C(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1)c1ccccc1 ZINC000886670936 1303550169 /nfs/dbraw/zinc/55/01/69/1303550169.db2.gz ZDDCMNIHVQGCTH-UHFFFAOYSA-N 2 2 340.471 3.259 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951955 1303597310 /nfs/dbraw/zinc/59/73/10/1303597310.db2.gz PUHUSYKKPYZJEB-ZYHUDNBSSA-N 2 2 330.259 3.004 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951955 1303597316 /nfs/dbraw/zinc/59/73/16/1303597316.db2.gz PUHUSYKKPYZJEB-ZYHUDNBSSA-N 2 2 330.259 3.004 20 0 EGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775377480 1303949987 /nfs/dbraw/zinc/94/99/87/1303949987.db2.gz CJMCXHVPUMFZGF-OIBBZDHESA-N 2 2 328.591 3.322 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775377480 1303949996 /nfs/dbraw/zinc/94/99/96/1303949996.db2.gz CJMCXHVPUMFZGF-OIBBZDHESA-N 2 2 328.591 3.322 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)ccn12 ZINC000888283026 1304098802 /nfs/dbraw/zinc/09/88/02/1304098802.db2.gz HDMIOPNEIOTZJM-GOSISDBHSA-N 2 2 346.434 3.268 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)ccn12 ZINC000888283026 1304098804 /nfs/dbraw/zinc/09/88/04/1304098804.db2.gz HDMIOPNEIOTZJM-GOSISDBHSA-N 2 2 346.434 3.268 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCC1 ZINC000779015251 1304518279 /nfs/dbraw/zinc/51/82/79/1304518279.db2.gz SKUXLSNCLJOKBA-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cn1 ZINC000779018817 1304518389 /nfs/dbraw/zinc/51/83/89/1304518389.db2.gz HKNZSSPQBHRTKN-MRXNPFEDSA-N 2 2 325.391 3.351 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cn1 ZINC000779517426 1304579723 /nfs/dbraw/zinc/57/97/23/1304579723.db2.gz YTTDGOBNJCYSHR-OAHLLOKOSA-N 2 2 339.830 3.401 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000780521940 1304704525 /nfs/dbraw/zinc/70/45/25/1304704525.db2.gz AZGFHCKCVCTEJA-HUUCEWRRSA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000780521940 1304704529 /nfs/dbraw/zinc/70/45/29/1304704529.db2.gz AZGFHCKCVCTEJA-HUUCEWRRSA-N 2 2 348.796 3.312 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000782096781 1304916317 /nfs/dbraw/zinc/91/63/17/1304916317.db2.gz VIAXIAFGXCSMFM-DLBZAZTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000782096781 1304916324 /nfs/dbraw/zinc/91/63/24/1304916324.db2.gz VIAXIAFGXCSMFM-DLBZAZTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000782096781 1304916326 /nfs/dbraw/zinc/91/63/26/1304916326.db2.gz VIAXIAFGXCSMFM-DLBZAZTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000782096781 1304916328 /nfs/dbraw/zinc/91/63/28/1304916328.db2.gz VIAXIAFGXCSMFM-DLBZAZTESA-N 2 2 339.524 3.192 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3c4ccccc4CC[C@H]3C[NH+](C)C)ccn12 ZINC000891090482 1304960330 /nfs/dbraw/zinc/96/03/30/1304960330.db2.gz YGRBIVXXXLYJFN-SFHVURJKSA-N 2 2 348.450 3.166 20 0 EGADLP Cc1cnc(=S)n(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000782943636 1305026458 /nfs/dbraw/zinc/02/64/58/1305026458.db2.gz YUMMOVKGTKHPIA-UHFFFAOYSA-N 2 2 331.489 3.267 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000783974606 1305169925 /nfs/dbraw/zinc/16/99/25/1305169925.db2.gz JVIXOVINWGAELU-QZTJIDSGSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000783974606 1305169929 /nfs/dbraw/zinc/16/99/29/1305169929.db2.gz JVIXOVINWGAELU-QZTJIDSGSA-N 2 2 344.503 3.128 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(C)nc3C3CC3)C2)CC1 ZINC000891823639 1305179357 /nfs/dbraw/zinc/17/93/57/1305179357.db2.gz WTQLSEGLOGOKMW-QGZVFWFLSA-N 2 2 330.520 3.241 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(C)nc3C3CC3)C2)CC1 ZINC000891823639 1305179361 /nfs/dbraw/zinc/17/93/61/1305179361.db2.gz WTQLSEGLOGOKMW-QGZVFWFLSA-N 2 2 330.520 3.241 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892668804 1305496996 /nfs/dbraw/zinc/49/69/96/1305496996.db2.gz NDGHPQOLVVEGEV-GUYCJALGSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892668804 1305497002 /nfs/dbraw/zinc/49/70/02/1305497002.db2.gz NDGHPQOLVVEGEV-GUYCJALGSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH+]cn1 ZINC000892668804 1305497006 /nfs/dbraw/zinc/49/70/06/1305497006.db2.gz NDGHPQOLVVEGEV-GUYCJALGSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH+]cn1 ZINC000892668804 1305497011 /nfs/dbraw/zinc/49/70/11/1305497011.db2.gz NDGHPQOLVVEGEV-GUYCJALGSA-N 2 2 331.489 3.099 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)cc1F ZINC000892677091 1305501811 /nfs/dbraw/zinc/50/18/11/1305501811.db2.gz VFYQZWUXRUZKAE-UHFFFAOYSA-N 2 2 339.418 3.221 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893098976 1305706587 /nfs/dbraw/zinc/70/65/87/1305706587.db2.gz UKQWRCMSNQSZDX-OXJNMPFZSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893098976 1305706597 /nfs/dbraw/zinc/70/65/97/1305706597.db2.gz UKQWRCMSNQSZDX-OXJNMPFZSA-N 2 2 338.499 3.440 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788592790 1305976704 /nfs/dbraw/zinc/97/67/04/1305976704.db2.gz MRBWSROXCGWUBU-SJORKVTESA-N 2 2 341.540 3.344 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788592790 1305976707 /nfs/dbraw/zinc/97/67/07/1305976707.db2.gz MRBWSROXCGWUBU-SJORKVTESA-N 2 2 341.540 3.344 20 0 EGADLP Cc1cc(F)ncc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000894113973 1306226159 /nfs/dbraw/zinc/22/61/59/1306226159.db2.gz SOPMKEJSTDUCJA-UHFFFAOYSA-N 2 2 328.435 3.442 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC[C@@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000790054975 1306253886 /nfs/dbraw/zinc/25/38/86/1306253886.db2.gz NPFJVBKISODPBM-HKUYNNGSSA-N 2 2 336.483 3.364 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419387 1308869192 /nfs/dbraw/zinc/86/91/92/1308869192.db2.gz TWDMHACFISBLQL-OAQYLSRUSA-N 2 2 338.499 3.309 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419387 1308869207 /nfs/dbraw/zinc/86/92/07/1308869207.db2.gz TWDMHACFISBLQL-OAQYLSRUSA-N 2 2 338.499 3.309 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419387 1308869219 /nfs/dbraw/zinc/86/92/19/1308869219.db2.gz TWDMHACFISBLQL-OAQYLSRUSA-N 2 2 338.499 3.309 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419387 1308869236 /nfs/dbraw/zinc/86/92/36/1308869236.db2.gz TWDMHACFISBLQL-OAQYLSRUSA-N 2 2 338.499 3.309 20 0 EGADLP COc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(F)cc1Br ZINC000895290974 1309272522 /nfs/dbraw/zinc/27/25/22/1309272522.db2.gz XJKVKMGSNIZIDJ-SNVBAGLBSA-N 2 2 333.245 3.027 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCC(C)([NH+]2CCC2)CC1 ZINC000896254841 1309771804 /nfs/dbraw/zinc/77/18/04/1309771804.db2.gz KDCATDJXLFZEGK-UHFFFAOYSA-N 2 2 342.491 3.400 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)cc2)c1C ZINC000897813151 1310477390 /nfs/dbraw/zinc/47/73/90/1310477390.db2.gz RHHBZHPMEVYPIW-KRWDZBQOSA-N 2 2 326.444 3.300 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)cc2)c1C ZINC000897813151 1310477397 /nfs/dbraw/zinc/47/73/97/1310477397.db2.gz RHHBZHPMEVYPIW-KRWDZBQOSA-N 2 2 326.444 3.300 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)on2)c1 ZINC000897840494 1310487753 /nfs/dbraw/zinc/48/77/53/1310487753.db2.gz BNCCNCZVVIHIQG-JKSUJKDBSA-N 2 2 327.428 3.067 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)on2)c1 ZINC000897840494 1310487758 /nfs/dbraw/zinc/48/77/58/1310487758.db2.gz BNCCNCZVVIHIQG-JKSUJKDBSA-N 2 2 327.428 3.067 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc(Cl)cn1 ZINC000799165962 1310496566 /nfs/dbraw/zinc/49/65/66/1310496566.db2.gz SYAVRTHEBKTHOU-GJZGRUSLSA-N 2 2 344.890 3.376 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897980611 1310537553 /nfs/dbraw/zinc/53/75/53/1310537553.db2.gz ACNPELGHMJTPFA-UHFFFAOYSA-N 2 2 340.471 3.192 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@H](C)C1 ZINC000800493844 1310769706 /nfs/dbraw/zinc/76/97/06/1310769706.db2.gz BVZNNTBQIZQPQL-WBVHZDCISA-N 2 2 339.911 3.270 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@H](C)C1 ZINC000800493844 1310769710 /nfs/dbraw/zinc/76/97/10/1310769710.db2.gz BVZNNTBQIZQPQL-WBVHZDCISA-N 2 2 339.911 3.270 20 0 EGADLP CC1CCC(C[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001019040160 1317017817 /nfs/dbraw/zinc/01/78/17/1317017817.db2.gz LPYPCSWKCRNDFD-DQPZFDDXSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)c1cc(N2CCC3(CO[C@H](C[NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000900365644 1317282065 /nfs/dbraw/zinc/28/20/65/1317282065.db2.gz LTHNUZVKUKKIQX-HNNXBMFYSA-N 2 2 332.492 3.058 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446850 1317579982 /nfs/dbraw/zinc/57/99/82/1317579982.db2.gz VMTUJRXQXKWCNF-QHLBDZCJSA-N 2 2 343.858 3.271 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000902481789 1317583074 /nfs/dbraw/zinc/58/30/74/1317583074.db2.gz HASTWPXDLMWUTC-RDJZCZTQSA-N 2 2 331.460 3.216 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cn(C)nn1 ZINC000902802450 1317618805 /nfs/dbraw/zinc/61/88/05/1317618805.db2.gz NSNJWJDZIGXJCR-MRXNPFEDSA-N 2 2 327.476 3.042 20 0 EGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1OC ZINC000808381007 1317668555 /nfs/dbraw/zinc/66/85/55/1317668555.db2.gz KUKYAJWKNLRPPM-QGZVFWFLSA-N 2 2 331.460 3.413 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000903899836 1317745106 /nfs/dbraw/zinc/74/51/06/1317745106.db2.gz WGWAHXPSLDRATD-MGPQQGTHSA-N 2 2 332.460 3.399 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000903899836 1317745108 /nfs/dbraw/zinc/74/51/08/1317745108.db2.gz WGWAHXPSLDRATD-MGPQQGTHSA-N 2 2 332.460 3.399 20 0 EGADLP COc1ccc(C[N@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)C2CC2)c(OC)c1 ZINC000903910196 1317747935 /nfs/dbraw/zinc/74/79/35/1317747935.db2.gz KIZHWTYPKNBXIH-IUODEOHRSA-N 2 2 342.430 3.287 20 0 EGADLP COc1ccc(C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H](C)C2CC2)c(OC)c1 ZINC000903910196 1317747938 /nfs/dbraw/zinc/74/79/38/1317747938.db2.gz KIZHWTYPKNBXIH-IUODEOHRSA-N 2 2 342.430 3.287 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903909678 1317748138 /nfs/dbraw/zinc/74/81/38/1317748138.db2.gz WUTMWMRVLMBPOG-UHFFFAOYSA-N 3 2 337.467 3.079 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921104 1317749583 /nfs/dbraw/zinc/74/95/83/1317749583.db2.gz NAUHTVKNFGKBPK-PBHICJAKSA-N 3 2 325.447 3.133 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921104 1317749589 /nfs/dbraw/zinc/74/95/89/1317749589.db2.gz NAUHTVKNFGKBPK-PBHICJAKSA-N 3 2 325.447 3.133 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000809749306 1317889616 /nfs/dbraw/zinc/88/96/16/1317889616.db2.gz MIASTJBJOATNBV-AWEZNQCLSA-N 2 2 334.489 3.085 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc[nH+]c2c(O)cccc12 ZINC000811825039 1318274773 /nfs/dbraw/zinc/27/47/73/1318274773.db2.gz ACWUMFNSOQIHLA-UHFFFAOYSA-N 2 2 331.379 3.442 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)cc2)c1C ZINC000908325116 1318328651 /nfs/dbraw/zinc/32/86/51/1318328651.db2.gz XFFZDGDOUBQKRJ-PKOBYXMFSA-N 2 2 338.455 3.445 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)cc2)c1C ZINC000908325116 1318328657 /nfs/dbraw/zinc/32/86/57/1318328657.db2.gz XFFZDGDOUBQKRJ-PKOBYXMFSA-N 2 2 338.455 3.445 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000813323094 1318532295 /nfs/dbraw/zinc/53/22/95/1318532295.db2.gz LJESXMFCHXMDHE-INIZCTEOSA-N 2 2 327.476 3.038 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723192 1318610939 /nfs/dbraw/zinc/61/09/39/1318610939.db2.gz RYCZQORPVPMPNU-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001021723192 1318610947 /nfs/dbraw/zinc/61/09/47/1318610947.db2.gz RYCZQORPVPMPNU-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)c[nH+]1 ZINC000960709437 1318812373 /nfs/dbraw/zinc/81/23/73/1318812373.db2.gz LATJJMMQHHXYBA-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)c[nH+]1 ZINC000960709437 1318812386 /nfs/dbraw/zinc/81/23/86/1318812386.db2.gz LATJJMMQHHXYBA-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143606 1318908777 /nfs/dbraw/zinc/90/87/77/1318908777.db2.gz BHAJVQSZVZELFB-IAGOWNOFSA-N 2 2 342.405 3.157 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143606 1318908783 /nfs/dbraw/zinc/90/87/83/1318908783.db2.gz BHAJVQSZVZELFB-IAGOWNOFSA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143606 1318908789 /nfs/dbraw/zinc/90/87/89/1318908789.db2.gz BHAJVQSZVZELFB-IAGOWNOFSA-N 2 2 342.405 3.157 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccccc3C(F)(F)F)C2)C1 ZINC000815143606 1318908796 /nfs/dbraw/zinc/90/87/96/1318908796.db2.gz BHAJVQSZVZELFB-IAGOWNOFSA-N 2 2 342.405 3.157 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960984057 1319116602 /nfs/dbraw/zinc/11/66/02/1319116602.db2.gz RGLAIFHQBOLVLB-MRXNPFEDSA-N 2 2 346.519 3.046 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000960984057 1319116605 /nfs/dbraw/zinc/11/66/05/1319116605.db2.gz RGLAIFHQBOLVLB-MRXNPFEDSA-N 2 2 346.519 3.046 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000817880458 1319451543 /nfs/dbraw/zinc/45/15/43/1319451543.db2.gz VJAOSYVLTQJDNW-IIDMSEBBSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000817880458 1319451552 /nfs/dbraw/zinc/45/15/52/1319451552.db2.gz VJAOSYVLTQJDNW-IIDMSEBBSA-N 2 2 325.456 3.084 20 0 EGADLP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000817906309 1319457285 /nfs/dbraw/zinc/45/72/85/1319457285.db2.gz XCWUJMFZOIEEPH-HLAWJBBLSA-N 2 2 349.478 3.183 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817954619 1319475321 /nfs/dbraw/zinc/47/53/21/1319475321.db2.gz FDNFZPJUSAJKCV-KZNAEPCWSA-N 2 2 347.503 3.454 20 0 EGADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000817955563 1319476802 /nfs/dbraw/zinc/47/68/02/1319476802.db2.gz YWMNESYXSOSXKH-KXBFYZLASA-N 2 2 339.439 3.384 20 0 EGADLP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cnc1Br ZINC000930310568 1328831428 /nfs/dbraw/zinc/83/14/28/1328831428.db2.gz IYQSGTGIVQGMFC-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cnc1Br ZINC000930310568 1328831431 /nfs/dbraw/zinc/83/14/31/1328831431.db2.gz IYQSGTGIVQGMFC-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445174 1319542987 /nfs/dbraw/zinc/54/29/87/1319542987.db2.gz IJIWEXFFYOGABR-LSDHHAIUSA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445174 1319542991 /nfs/dbraw/zinc/54/29/91/1319542991.db2.gz IJIWEXFFYOGABR-LSDHHAIUSA-N 2 2 328.460 3.051 20 0 EGADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000819059690 1319624085 /nfs/dbraw/zinc/62/40/85/1319624085.db2.gz ZRRCHSZJXJSBCS-OAHLLOKOSA-N 2 2 328.243 3.293 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000823518045 1320184892 /nfs/dbraw/zinc/18/48/92/1320184892.db2.gz KFNJZFBPTZRJDW-FUHWJXTLSA-N 2 2 347.503 3.207 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Cl)c2F)[C@H](C)C1 ZINC000823848505 1320210784 /nfs/dbraw/zinc/21/07/84/1320210784.db2.gz VWEIHVIVIPBGKB-HIFRSBDPSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Cl)c2F)[C@H](C)C1 ZINC000823848505 1320210788 /nfs/dbraw/zinc/21/07/88/1320210788.db2.gz VWEIHVIVIPBGKB-HIFRSBDPSA-N 2 2 343.874 3.101 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000825132260 1320313758 /nfs/dbraw/zinc/31/37/58/1320313758.db2.gz ZGBZHCAAULYLLZ-MRXNPFEDSA-N 2 2 333.407 3.013 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000825901406 1320370068 /nfs/dbraw/zinc/37/00/68/1320370068.db2.gz ZLQADMYMSYEPJI-NXOAAHMSSA-N 2 2 339.524 3.094 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2cc1Cl ZINC000827497392 1320456831 /nfs/dbraw/zinc/45/68/31/1320456831.db2.gz WIVFWJXHOVBYFZ-NEPJUHHUSA-N 2 2 335.810 3.302 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2cc1Cl ZINC000827497392 1320456832 /nfs/dbraw/zinc/45/68/32/1320456832.db2.gz WIVFWJXHOVBYFZ-NEPJUHHUSA-N 2 2 335.810 3.302 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202962 1320894321 /nfs/dbraw/zinc/89/43/21/1320894321.db2.gz QJEQPURJTJAUAQ-UHFFFAOYSA-N 2 2 325.884 3.310 20 0 EGADLP Clc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000842668505 1321415352 /nfs/dbraw/zinc/41/53/52/1321415352.db2.gz LKIXCICCBOGJTF-JTQLQIEISA-N 2 2 344.684 3.071 20 0 EGADLP Clc1ncc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000842668505 1321415354 /nfs/dbraw/zinc/41/53/54/1321415354.db2.gz LKIXCICCBOGJTF-JTQLQIEISA-N 2 2 344.684 3.071 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843058735 1321463668 /nfs/dbraw/zinc/46/36/68/1321463668.db2.gz XESGJLLKUKXGHU-CJNGLKHVSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843058735 1321463671 /nfs/dbraw/zinc/46/36/71/1321463671.db2.gz XESGJLLKUKXGHU-CJNGLKHVSA-N 2 2 332.879 3.062 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1SC(F)(F)F ZINC000843367977 1321507799 /nfs/dbraw/zinc/50/77/99/1321507799.db2.gz MPXGEXBIOYRWIX-HNNXBMFYSA-N 2 2 346.418 3.493 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1SC(F)(F)F ZINC000843367977 1321507804 /nfs/dbraw/zinc/50/78/04/1321507804.db2.gz MPXGEXBIOYRWIX-HNNXBMFYSA-N 2 2 346.418 3.493 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000844171877 1321575180 /nfs/dbraw/zinc/57/51/80/1321575180.db2.gz MWOSVURNRPOPHS-MSOLQXFVSA-N 2 2 348.535 3.492 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000844901526 1321656259 /nfs/dbraw/zinc/65/62/59/1321656259.db2.gz GGMGCZVQJTWFTP-KXBFYZLASA-N 2 2 344.890 3.395 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000844901526 1321656262 /nfs/dbraw/zinc/65/62/62/1321656262.db2.gz GGMGCZVQJTWFTP-KXBFYZLASA-N 2 2 344.890 3.395 20 0 EGADLP BrC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000846849622 1321816547 /nfs/dbraw/zinc/81/65/47/1321816547.db2.gz HBKRJPVYASFLEF-UHFFFAOYSA-N 2 2 326.282 3.303 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568986 1321978031 /nfs/dbraw/zinc/97/80/31/1321978031.db2.gz ULPLKXROHKWPJM-ZYSHUDEJSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568986 1321978033 /nfs/dbraw/zinc/97/80/33/1321978033.db2.gz ULPLKXROHKWPJM-ZYSHUDEJSA-N 2 2 343.471 3.311 20 0 EGADLP CSc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1 ZINC000849113303 1322083350 /nfs/dbraw/zinc/08/33/50/1322083350.db2.gz RJLNSMZEFWBHQY-OAHLLOKOSA-N 2 2 329.473 3.043 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(F)F)nc1 ZINC000850433315 1322248377 /nfs/dbraw/zinc/24/83/77/1322248377.db2.gz HXVZZMDRALKWAC-BBRMVZONSA-N 2 2 339.430 3.313 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000850543335 1322263022 /nfs/dbraw/zinc/26/30/22/1322263022.db2.gz HYCPBHQZFGEORF-BZUAXINKSA-N 2 2 346.462 3.064 20 0 EGADLP CC[NH+](CC)CC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924544517 1323049223 /nfs/dbraw/zinc/04/92/23/1323049223.db2.gz ZONUZIRFQNLTBD-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000924647587 1323091472 /nfs/dbraw/zinc/09/14/72/1323091472.db2.gz FTHGMKGEYGDNQM-KRWDZBQOSA-N 2 2 339.483 3.448 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(F)n1 ZINC000851932361 1323117609 /nfs/dbraw/zinc/11/76/09/1323117609.db2.gz FVRDSCLCPWWQLO-HZPDHXFCSA-N 2 2 327.447 3.467 20 0 EGADLP COc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccn1 ZINC000924717210 1323130690 /nfs/dbraw/zinc/13/06/90/1323130690.db2.gz UPBUWCBJDDTORD-FQEVSTJZSA-N 2 2 336.439 3.364 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000924771336 1323153741 /nfs/dbraw/zinc/15/37/41/1323153741.db2.gz WWQNFZSBQDNNDY-HKUYNNGSSA-N 2 2 335.455 3.107 20 0 EGADLP CCOc1ccc(NC(=O)C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000924825623 1323178972 /nfs/dbraw/zinc/17/89/72/1323178972.db2.gz YKYDGGCLECROGG-UHFFFAOYSA-N 2 2 347.503 3.124 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c2ncnn21 ZINC000924865311 1323191724 /nfs/dbraw/zinc/19/17/24/1323191724.db2.gz FHWYJWBTZJNNCI-VQIMIIECSA-N 2 2 339.487 3.450 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085175 1323273385 /nfs/dbraw/zinc/27/33/85/1323273385.db2.gz FRCRDRJPURPJLT-OMMGITJUSA-N 2 2 343.515 3.229 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085175 1323273394 /nfs/dbraw/zinc/27/33/94/1323273394.db2.gz FRCRDRJPURPJLT-OMMGITJUSA-N 2 2 343.515 3.229 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001024999848 1323818996 /nfs/dbraw/zinc/81/89/96/1323818996.db2.gz CEYCVIJGLIKDEX-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025017517 1323826994 /nfs/dbraw/zinc/82/69/94/1323826994.db2.gz HJMITNZADIGGOF-GOSISDBHSA-N 2 2 348.450 3.119 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025108979 1323899562 /nfs/dbraw/zinc/89/95/62/1323899562.db2.gz HNPDJVJTIMCPCI-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025108979 1323899567 /nfs/dbraw/zinc/89/95/67/1323899567.db2.gz HNPDJVJTIMCPCI-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290068 1324114432 /nfs/dbraw/zinc/11/44/32/1324114432.db2.gz XOVVTMAEXDISIO-IRXDYDNUSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290068 1324114437 /nfs/dbraw/zinc/11/44/37/1324114437.db2.gz XOVVTMAEXDISIO-IRXDYDNUSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(C)C ZINC001025296548 1324128073 /nfs/dbraw/zinc/12/80/73/1324128073.db2.gz KELOALZBYVHBMJ-RBUKOAKNSA-N 2 2 346.519 3.152 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001025296548 1324128079 /nfs/dbraw/zinc/12/80/79/1324128079.db2.gz KELOALZBYVHBMJ-RBUKOAKNSA-N 2 2 346.519 3.152 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493420 1324344741 /nfs/dbraw/zinc/34/47/41/1324344741.db2.gz NSBPIPLWAGYBHY-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493420 1324344749 /nfs/dbraw/zinc/34/47/49/1324344749.db2.gz NSBPIPLWAGYBHY-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccc(OCc2ccccn2)c1 ZINC000925471593 1325164647 /nfs/dbraw/zinc/16/46/47/1325164647.db2.gz CDTBASGOQWMOCC-JKHQSYSGSA-N 2 2 349.478 3.308 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001027097459 1325222721 /nfs/dbraw/zinc/22/27/21/1325222721.db2.gz WCLZNMSKKHGGGY-MJGOQNOKSA-N 2 2 346.519 3.243 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631700 1325239186 /nfs/dbraw/zinc/23/91/86/1325239186.db2.gz WPLRNXPEPGPXTD-YENGBRFLSA-N 2 2 339.886 3.202 20 0 EGADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925665254 1325254301 /nfs/dbraw/zinc/25/43/01/1325254301.db2.gz KNYREKSOCDJXMN-RTWAWAEBSA-N 2 2 338.499 3.189 20 0 EGADLP c1sc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1-c1ccncc1 ZINC000925732207 1325274394 /nfs/dbraw/zinc/27/43/94/1325274394.db2.gz WSRPQXUPMTZUCG-SJORKVTESA-N 2 2 342.512 3.463 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925791533 1325301723 /nfs/dbraw/zinc/30/17/23/1325301723.db2.gz AMLAMTANJRPVDZ-UKRRQHHQSA-N 2 2 340.414 3.097 20 0 EGADLP CCN(C(=O)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000925812491 1325312112 /nfs/dbraw/zinc/31/21/12/1325312112.db2.gz HUERACUKRNGOCZ-UYAOXDASSA-N 2 2 337.467 3.122 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000926801445 1327722782 /nfs/dbraw/zinc/72/27/82/1327722782.db2.gz BUKJTVVWWYKLRS-UHFFFAOYSA-N 2 2 340.309 3.444 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597673 1327950885 /nfs/dbraw/zinc/95/08/85/1327950885.db2.gz IVZSVNJRASREFR-IEBWSBKVSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597673 1327950890 /nfs/dbraw/zinc/95/08/90/1327950890.db2.gz IVZSVNJRASREFR-IEBWSBKVSA-N 2 2 344.503 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001027663539 1328055785 /nfs/dbraw/zinc/05/57/85/1328055785.db2.gz CZQMAORSJUDUBT-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001027663539 1328055794 /nfs/dbraw/zinc/05/57/94/1328055794.db2.gz CZQMAORSJUDUBT-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)nn1 ZINC000865414236 1329693633 /nfs/dbraw/zinc/69/36/33/1329693633.db2.gz OCNDUBXZLHULDQ-UHFFFAOYSA-N 2 2 341.503 3.210 20 0 EGADLP c1cc(C[NH2+][C@H](c2ccncc2)C2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000934702898 1330001229 /nfs/dbraw/zinc/00/12/29/1330001229.db2.gz YVOLJBPBOYMLEL-NRFANRHFSA-N 2 2 337.467 3.155 20 0 EGADLP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000935388521 1330049477 /nfs/dbraw/zinc/04/94/77/1330049477.db2.gz TZGFULMRXCNHBF-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000935388521 1330049479 /nfs/dbraw/zinc/04/94/79/1330049479.db2.gz TZGFULMRXCNHBF-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000939541793 1330455150 /nfs/dbraw/zinc/45/51/50/1330455150.db2.gz QBCZBWSZXUOWIH-NVXWUHKLSA-N 2 2 346.519 3.094 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC000944445661 1332413143 /nfs/dbraw/zinc/41/31/43/1332413143.db2.gz QIMCCOCMDZHRBI-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C[C@H]1C ZINC000944445661 1332413147 /nfs/dbraw/zinc/41/31/47/1332413147.db2.gz QIMCCOCMDZHRBI-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449923 1333132432 /nfs/dbraw/zinc/13/24/32/1333132432.db2.gz LMAWYTMYGRZHFA-GDBMZVCRSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC000947449923 1333132436 /nfs/dbraw/zinc/13/24/36/1333132436.db2.gz LMAWYTMYGRZHFA-GDBMZVCRSA-N 2 2 328.460 3.192 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000948090907 1333372187 /nfs/dbraw/zinc/37/21/87/1333372187.db2.gz QOCFINTXDYCUAB-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948090907 1333372188 /nfs/dbraw/zinc/37/21/88/1333372188.db2.gz QOCFINTXDYCUAB-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC000948886561 1333719404 /nfs/dbraw/zinc/71/94/04/1333719404.db2.gz OOKHPPSWUSFUGR-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC000948886561 1333719406 /nfs/dbraw/zinc/71/94/06/1333719406.db2.gz OOKHPPSWUSFUGR-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948887404 1333719631 /nfs/dbraw/zinc/71/96/31/1333719631.db2.gz YSJIJJYFLFPRKC-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948887404 1333719634 /nfs/dbraw/zinc/71/96/34/1333719634.db2.gz YSJIJJYFLFPRKC-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642851 1336682319 /nfs/dbraw/zinc/68/23/19/1336682319.db2.gz XYHUFXIFPWPWLB-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642851 1336682322 /nfs/dbraw/zinc/68/23/22/1336682322.db2.gz XYHUFXIFPWPWLB-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007639890 1336682426 /nfs/dbraw/zinc/68/24/26/1336682426.db2.gz KDYVFCRKJYDHNZ-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007639890 1336682428 /nfs/dbraw/zinc/68/24/28/1336682428.db2.gz KDYVFCRKJYDHNZ-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088655 1336767266 /nfs/dbraw/zinc/76/72/66/1336767266.db2.gz MTYCKNAOBSSCNK-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088655 1336767269 /nfs/dbraw/zinc/76/72/69/1336767269.db2.gz MTYCKNAOBSSCNK-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017122076 1338879736 /nfs/dbraw/zinc/87/97/36/1338879736.db2.gz YYXIMKLRERMPSZ-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017122076 1338879747 /nfs/dbraw/zinc/87/97/47/1338879747.db2.gz YYXIMKLRERMPSZ-GOSISDBHSA-N 2 2 344.503 3.013 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001029153952 1340944467 /nfs/dbraw/zinc/94/44/67/1340944467.db2.gz XEPMOVSWDHEBFU-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001030388447 1341184214 /nfs/dbraw/zinc/18/42/14/1341184214.db2.gz NCBJHKMQDHSXCI-UHFFFAOYSA-N 2 2 349.544 3.194 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001030532067 1341195426 /nfs/dbraw/zinc/19/54/26/1341195426.db2.gz DRQAUZKSTWVQFZ-JXFKEZNVSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001030532067 1341195427 /nfs/dbraw/zinc/19/54/27/1341195427.db2.gz DRQAUZKSTWVQFZ-JXFKEZNVSA-N 2 2 343.515 3.156 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033594237 1341888573 /nfs/dbraw/zinc/88/85/73/1341888573.db2.gz LQZCCOXHTSGSFC-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033594237 1341888575 /nfs/dbraw/zinc/88/85/75/1341888575.db2.gz LQZCCOXHTSGSFC-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033834178 1342033794 /nfs/dbraw/zinc/03/37/94/1342033794.db2.gz UQPXQHRIFRXRAQ-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033834178 1342033797 /nfs/dbraw/zinc/03/37/97/1342033797.db2.gz UQPXQHRIFRXRAQ-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001034006084 1342143891 /nfs/dbraw/zinc/14/38/91/1342143891.db2.gz XMSVEUVBDBPDFR-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001034006084 1342143892 /nfs/dbraw/zinc/14/38/92/1342143892.db2.gz XMSVEUVBDBPDFR-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC001034261487 1342354298 /nfs/dbraw/zinc/35/42/98/1342354298.db2.gz ZINXZRZCBJBIRK-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC001034261487 1342354300 /nfs/dbraw/zinc/35/43/00/1342354300.db2.gz ZINXZRZCBJBIRK-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCCC2CCCC2)C1 ZINC001034503747 1342561939 /nfs/dbraw/zinc/56/19/39/1342561939.db2.gz RDVFOTUOUWSANJ-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCCC2CCCC2)C1 ZINC001034503747 1342561940 /nfs/dbraw/zinc/56/19/40/1342561940.db2.gz RDVFOTUOUWSANJ-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073587 1342912393 /nfs/dbraw/zinc/91/23/93/1342912393.db2.gz SOEUCFUJSRTUBZ-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073587 1342912394 /nfs/dbraw/zinc/91/23/94/1342912394.db2.gz SOEUCFUJSRTUBZ-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036265297 1343385555 /nfs/dbraw/zinc/38/55/55/1343385555.db2.gz LCIJNRMCRMHEFB-DOTOQJQBSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001036454570 1343496226 /nfs/dbraw/zinc/49/62/26/1343496226.db2.gz DAPCRCMXNZSHKS-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037909771 1344172279 /nfs/dbraw/zinc/17/22/79/1344172279.db2.gz ROUDWRRTVJOUBG-MOPGFXCFSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037941107 1344193614 /nfs/dbraw/zinc/19/36/14/1344193614.db2.gz CXCSKCWVUCXGMC-ZWKOTPCHSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161722 1344847007 /nfs/dbraw/zinc/84/70/07/1344847007.db2.gz MRBMIUNEMXVVES-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039161722 1344847011 /nfs/dbraw/zinc/84/70/11/1344847011.db2.gz MRBMIUNEMXVVES-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238364 1344962300 /nfs/dbraw/zinc/96/23/00/1344962300.db2.gz NILRFXXIDBEAQF-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238364 1344962301 /nfs/dbraw/zinc/96/23/01/1344962301.db2.gz NILRFXXIDBEAQF-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423140 1345489920 /nfs/dbraw/zinc/48/99/20/1345489920.db2.gz CQWAUZWONLNQLL-QUCCMNQESA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423140 1345489925 /nfs/dbraw/zinc/48/99/25/1345489925.db2.gz CQWAUZWONLNQLL-QUCCMNQESA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001042546054 1346088078 /nfs/dbraw/zinc/08/80/78/1346088078.db2.gz PWEVUCPTMLAXIG-UZLBHIALSA-N 2 2 343.515 3.108 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001042546054 1346088081 /nfs/dbraw/zinc/08/80/81/1346088081.db2.gz PWEVUCPTMLAXIG-UZLBHIALSA-N 2 2 343.515 3.108 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCC2CCCCC2)C1 ZINC001043092238 1346139347 /nfs/dbraw/zinc/13/93/47/1346139347.db2.gz RFEALUVWPHGXET-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1c(C(=O)N(C)C2C[NH+]([C@@H](C)c3ccccc3)C2)ccc2c[nH+]cn21 ZINC001043180398 1346150459 /nfs/dbraw/zinc/15/04/59/1346150459.db2.gz IGSVAQZSROQHPM-HNNXBMFYSA-N 2 2 348.450 3.160 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678820 1346401614 /nfs/dbraw/zinc/40/16/14/1346401614.db2.gz ZFGPGYVVJRCNQB-DOTOQJQBSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044695765 1346405444 /nfs/dbraw/zinc/40/54/44/1346405444.db2.gz YHHBWPFPGQCHOQ-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001044843021 1346442917 /nfs/dbraw/zinc/44/29/17/1346442917.db2.gz SXQRHGIPFZEQRP-YJBOKZPZSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001045118819 1346498482 /nfs/dbraw/zinc/49/84/82/1346498482.db2.gz QLKBWFXWCBUTHY-SFHVURJKSA-N 2 2 348.450 3.037 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944564 1346780182 /nfs/dbraw/zinc/78/01/82/1346780182.db2.gz LDMAXEHUVYGSLH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045944564 1346780184 /nfs/dbraw/zinc/78/01/84/1346780184.db2.gz LDMAXEHUVYGSLH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944564 1346780185 /nfs/dbraw/zinc/78/01/85/1346780185.db2.gz LDMAXEHUVYGSLH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045944564 1346780186 /nfs/dbraw/zinc/78/01/86/1346780186.db2.gz LDMAXEHUVYGSLH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C)CC[N@H+](CC4CCCC4)C3)ccn12 ZINC001046314357 1346930946 /nfs/dbraw/zinc/93/09/46/1346930946.db2.gz HVAMZTOKKPMVAP-HXUWFJFHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C)CC[N@@H+](CC4CCCC4)C3)ccn12 ZINC001046314357 1346930948 /nfs/dbraw/zinc/93/09/48/1346930948.db2.gz HVAMZTOKKPMVAP-HXUWFJFHSA-N 2 2 340.471 3.027 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001047863396 1347393312 /nfs/dbraw/zinc/39/33/12/1347393312.db2.gz CUXVOGSSWNOSSX-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001047863396 1347393313 /nfs/dbraw/zinc/39/33/13/1347393313.db2.gz CUXVOGSSWNOSSX-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047883170 1347398301 /nfs/dbraw/zinc/39/83/01/1347398301.db2.gz XFMYSATVOBZWNK-NVXWUHKLSA-N 2 2 348.450 3.203 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001048051938 1347453383 /nfs/dbraw/zinc/45/33/83/1347453383.db2.gz ZSECKUJMARBPBD-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001048612645 1347618710 /nfs/dbraw/zinc/61/87/10/1347618710.db2.gz QMMJWYLSGYKPEK-QAQDUYKDSA-N 2 2 340.471 3.018 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780839 1348018840 /nfs/dbraw/zinc/01/88/40/1348018840.db2.gz JKQPMMVONCOXCC-NJAFHUGGSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780839 1348018844 /nfs/dbraw/zinc/01/88/44/1348018844.db2.gz JKQPMMVONCOXCC-NJAFHUGGSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780839 1348018847 /nfs/dbraw/zinc/01/88/47/1348018847.db2.gz JKQPMMVONCOXCC-NJAFHUGGSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780839 1348018851 /nfs/dbraw/zinc/01/88/51/1348018851.db2.gz JKQPMMVONCOXCC-NJAFHUGGSA-N 2 2 346.519 3.090 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001052555376 1348577702 /nfs/dbraw/zinc/57/77/02/1348577702.db2.gz QNGPVKMJUIKYJQ-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001052555376 1348577706 /nfs/dbraw/zinc/57/77/06/1348577706.db2.gz QNGPVKMJUIKYJQ-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092504 1348919497 /nfs/dbraw/zinc/91/94/97/1348919497.db2.gz HFGVQRFPHAAITM-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092504 1348919500 /nfs/dbraw/zinc/91/95/00/1348919500.db2.gz HFGVQRFPHAAITM-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112215 1348948317 /nfs/dbraw/zinc/94/83/17/1348948317.db2.gz AXYVRCBIAPDKGG-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001053112215 1348948318 /nfs/dbraw/zinc/94/83/18/1348948318.db2.gz AXYVRCBIAPDKGG-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173163 1349174653 /nfs/dbraw/zinc/17/46/53/1349174653.db2.gz JFYDAERGTBPUTO-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173163 1349174655 /nfs/dbraw/zinc/17/46/55/1349174655.db2.gz JFYDAERGTBPUTO-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001054798115 1349464735 /nfs/dbraw/zinc/46/47/35/1349464735.db2.gz QARJJOAHTKARST-FOIQADDNSA-N 2 2 348.450 3.122 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001183175558 1387271990 /nfs/dbraw/zinc/27/19/90/1387271990.db2.gz DVZHXGAJUMLDGD-FOIQADDNSA-N 2 2 348.535 3.198 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461754 1356396074 /nfs/dbraw/zinc/39/60/74/1356396074.db2.gz QMFARYVIBCAOFQ-SFHVURJKSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001075461754 1356396076 /nfs/dbraw/zinc/39/60/76/1356396076.db2.gz QMFARYVIBCAOFQ-SFHVURJKSA-N 2 2 346.519 3.024 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)[N@H+](CC2CCCC2)C1 ZINC001099106837 1363626546 /nfs/dbraw/zinc/62/65/46/1363626546.db2.gz QAHZXWLQSANFON-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)[N@@H+](CC2CCCC2)C1 ZINC001099106837 1363626551 /nfs/dbraw/zinc/62/65/51/1363626551.db2.gz QAHZXWLQSANFON-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)[N@H+](CC2CCCC2)C1 ZINC001099106837 1363626553 /nfs/dbraw/zinc/62/65/53/1363626553.db2.gz QAHZXWLQSANFON-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)[N@@H+](CC2CCCC2)C1 ZINC001099106837 1363626558 /nfs/dbraw/zinc/62/65/58/1363626558.db2.gz QAHZXWLQSANFON-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001082771764 1358089964 /nfs/dbraw/zinc/08/99/64/1358089964.db2.gz PWQGLVDRTZWHCX-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001183628643 1387325421 /nfs/dbraw/zinc/32/54/21/1387325421.db2.gz CLFHAFLAMRCWSZ-DWTRPJMMSA-N 2 2 326.444 3.113 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001085374119 1358481233 /nfs/dbraw/zinc/48/12/33/1358481233.db2.gz ZMICSXXDHCIIKN-KZNAEPCWSA-N 2 2 340.471 3.121 20 0 EGADLP Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001086400703 1359087778 /nfs/dbraw/zinc/08/77/78/1359087778.db2.gz SSSKIDGSZYQJCH-SAABIXHNSA-N 2 2 348.450 3.170 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001086427512 1359094786 /nfs/dbraw/zinc/09/47/86/1359094786.db2.gz VAOILJDQEFVXOW-BQFCYCMXSA-N 2 2 348.450 3.194 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001086763427 1359196917 /nfs/dbraw/zinc/19/69/17/1359196917.db2.gz KQBMAQCCLLOEAR-ZWKOTPCHSA-N 2 2 329.488 3.295 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087173567 1359313607 /nfs/dbraw/zinc/31/36/07/1359313607.db2.gz GJVCLDBIAFNHIE-APWZRJJASA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087173567 1359313609 /nfs/dbraw/zinc/31/36/09/1359313609.db2.gz GJVCLDBIAFNHIE-APWZRJJASA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC=C(C)C ZINC001087624634 1359560790 /nfs/dbraw/zinc/56/07/90/1359560790.db2.gz QIMJOYLQHNVBST-FUHWJXTLSA-N 2 2 326.444 3.112 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC=C(C)C ZINC001087624634 1359560792 /nfs/dbraw/zinc/56/07/92/1359560792.db2.gz QIMJOYLQHNVBST-FUHWJXTLSA-N 2 2 326.444 3.112 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001184264883 1387421677 /nfs/dbraw/zinc/42/16/77/1387421677.db2.gz LYCZZHCNZOBWRP-AWEZNQCLSA-N 2 2 337.895 3.379 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001184264883 1387421678 /nfs/dbraw/zinc/42/16/78/1387421678.db2.gz LYCZZHCNZOBWRP-AWEZNQCLSA-N 2 2 337.895 3.379 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088396901 1359872611 /nfs/dbraw/zinc/87/26/11/1359872611.db2.gz UMRDRMBDRVVCKQ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001088396901 1359872616 /nfs/dbraw/zinc/87/26/16/1359872616.db2.gz UMRDRMBDRVVCKQ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088419311 1359889235 /nfs/dbraw/zinc/88/92/35/1359889235.db2.gz MZCNOARDWYHVIH-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089189285 1360239339 /nfs/dbraw/zinc/23/93/39/1360239339.db2.gz YZQADUZMAXEPCH-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089189285 1360239342 /nfs/dbraw/zinc/23/93/42/1360239342.db2.gz YZQADUZMAXEPCH-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089189285 1360239347 /nfs/dbraw/zinc/23/93/47/1360239347.db2.gz YZQADUZMAXEPCH-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089189285 1360239353 /nfs/dbraw/zinc/23/93/53/1360239353.db2.gz YZQADUZMAXEPCH-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486896 1360466747 /nfs/dbraw/zinc/46/67/47/1360466747.db2.gz DJNRLRKNCVVEPW-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486896 1360466751 /nfs/dbraw/zinc/46/67/51/1360466751.db2.gz DJNRLRKNCVVEPW-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CCCC2CCC2)C1 ZINC001089528596 1360491771 /nfs/dbraw/zinc/49/17/71/1360491771.db2.gz LHGMSOMNGVUBIB-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089528596 1360491773 /nfs/dbraw/zinc/49/17/73/1360491773.db2.gz LHGMSOMNGVUBIB-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CC2CCCCC2)C1 ZINC001089569379 1360514581 /nfs/dbraw/zinc/51/45/81/1360514581.db2.gz YIUSYAFNGAOQLH-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CC2CCCCC2)C1 ZINC001089569379 1360514583 /nfs/dbraw/zinc/51/45/83/1360514583.db2.gz YIUSYAFNGAOQLH-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184654996 1387504205 /nfs/dbraw/zinc/50/42/05/1387504205.db2.gz XVMSJRHJJNJAFC-WMZOPIPTSA-N 2 2 348.535 3.191 20 0 EGADLP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092821285 1361463727 /nfs/dbraw/zinc/46/37/27/1361463727.db2.gz XJCKYWSDGIQTPS-HZPDHXFCSA-N 2 2 342.487 3.068 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001092821285 1361463730 /nfs/dbraw/zinc/46/37/30/1361463730.db2.gz XJCKYWSDGIQTPS-HZPDHXFCSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCCCC(=O)C1 ZINC001324042738 1387517351 /nfs/dbraw/zinc/51/73/51/1387517351.db2.gz QISURYNHRSQUFO-CQSZACIVSA-N 2 2 326.400 3.054 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001324317832 1387589900 /nfs/dbraw/zinc/58/99/00/1387589900.db2.gz BAJQZDQKHVOLQC-MRXNPFEDSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001324317832 1387589902 /nfs/dbraw/zinc/58/99/02/1387589902.db2.gz BAJQZDQKHVOLQC-MRXNPFEDSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](CC(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001324332712 1387594485 /nfs/dbraw/zinc/59/44/85/1387594485.db2.gz AQLPUFIEYRYPKL-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251186 1363714060 /nfs/dbraw/zinc/71/40/60/1363714060.db2.gz HJQPFSBDPRNMGB-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001099251186 1363714061 /nfs/dbraw/zinc/71/40/61/1363714061.db2.gz HJQPFSBDPRNMGB-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099358701 1363771523 /nfs/dbraw/zinc/77/15/23/1363771523.db2.gz JZEQNYQLHJVWNH-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099358701 1363771524 /nfs/dbraw/zinc/77/15/24/1363771524.db2.gz JZEQNYQLHJVWNH-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101376994 1364535356 /nfs/dbraw/zinc/53/53/56/1364535356.db2.gz NMAISQRDIGPAIA-NSHGMRRFSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101376994 1364535358 /nfs/dbraw/zinc/53/53/58/1364535358.db2.gz NMAISQRDIGPAIA-NSHGMRRFSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001101579362 1364632196 /nfs/dbraw/zinc/63/21/96/1364632196.db2.gz DJDZKCPNJCAZRG-INIZCTEOSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001102142950 1364888847 /nfs/dbraw/zinc/88/88/47/1364888847.db2.gz OHYNEGGNSALPGL-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001102142950 1364888851 /nfs/dbraw/zinc/88/88/51/1364888851.db2.gz OHYNEGGNSALPGL-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454883 1365064666 /nfs/dbraw/zinc/06/46/66/1365064666.db2.gz XADYVCIBISINSO-YQHFMZHWSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454883 1365064669 /nfs/dbraw/zinc/06/46/69/1365064669.db2.gz XADYVCIBISINSO-YQHFMZHWSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454883 1365064675 /nfs/dbraw/zinc/06/46/75/1365064675.db2.gz XADYVCIBISINSO-YQHFMZHWSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454883 1365064681 /nfs/dbraw/zinc/06/46/81/1365064681.db2.gz XADYVCIBISINSO-YQHFMZHWSA-N 2 2 346.519 3.019 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001324667825 1387724454 /nfs/dbraw/zinc/72/44/54/1387724454.db2.gz AIEUGIGPEPMDLP-FQEVSTJZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001324667825 1387724458 /nfs/dbraw/zinc/72/44/58/1387724458.db2.gz AIEUGIGPEPMDLP-FQEVSTJZSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185493367 1387731390 /nfs/dbraw/zinc/73/13/90/1387731390.db2.gz UWYCLOOUUUGMJA-IRXDYDNUSA-N 2 2 348.535 3.198 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479970 1365587405 /nfs/dbraw/zinc/58/74/05/1365587405.db2.gz WTPPRTVNVPCQRD-GUDVDZBRSA-N 2 2 348.535 3.489 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479970 1365587407 /nfs/dbraw/zinc/58/74/07/1365587407.db2.gz WTPPRTVNVPCQRD-GUDVDZBRSA-N 2 2 348.535 3.489 20 0 EGADLP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105569900 1366537440 /nfs/dbraw/zinc/53/74/40/1366537440.db2.gz AQDTUEFOPJGLQF-QGZVFWFLSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710341 1366778208 /nfs/dbraw/zinc/77/82/08/1366778208.db2.gz GSUZORIQVULFJW-FGTMMUONSA-N 2 2 348.535 3.345 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621428 1367077917 /nfs/dbraw/zinc/07/79/17/1367077917.db2.gz PBIYLEUOFBMJRX-UYAOXDASSA-N 2 2 346.519 3.058 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]c[nH+]c3C)CCC[C@@H]12 ZINC001107621428 1367077921 /nfs/dbraw/zinc/07/79/21/1367077921.db2.gz PBIYLEUOFBMJRX-UYAOXDASSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001109772082 1367313700 /nfs/dbraw/zinc/31/37/00/1367313700.db2.gz FJCANIMZWDXZQJ-MHORFTMASA-N 2 2 346.519 3.382 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001109772082 1367313706 /nfs/dbraw/zinc/31/37/06/1367313706.db2.gz FJCANIMZWDXZQJ-MHORFTMASA-N 2 2 346.519 3.382 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)(C)C)C2)c[nH+]1 ZINC001190898482 1367378345 /nfs/dbraw/zinc/37/83/45/1367378345.db2.gz CGIIRFYIQVBVQD-QGZVFWFLSA-N 2 2 348.535 3.286 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C2)c[nH+]1 ZINC001190898482 1367378348 /nfs/dbraw/zinc/37/83/48/1367378348.db2.gz CGIIRFYIQVBVQD-QGZVFWFLSA-N 2 2 348.535 3.286 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001191444580 1367504819 /nfs/dbraw/zinc/50/48/19/1367504819.db2.gz OLBJDUXJVNOIKK-ICSRJNTNSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001191444580 1367504822 /nfs/dbraw/zinc/50/48/22/1367504822.db2.gz OLBJDUXJVNOIKK-ICSRJNTNSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001191444580 1367504825 /nfs/dbraw/zinc/50/48/25/1367504825.db2.gz OLBJDUXJVNOIKK-ICSRJNTNSA-N 2 2 343.515 3.376 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001191444580 1367504827 /nfs/dbraw/zinc/50/48/27/1367504827.db2.gz OLBJDUXJVNOIKK-ICSRJNTNSA-N 2 2 343.515 3.376 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192888 1367558277 /nfs/dbraw/zinc/55/82/77/1367558277.db2.gz HZHKVRFGMHNPGO-RDGPPVDQSA-N 2 2 346.519 3.067 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192888 1367558279 /nfs/dbraw/zinc/55/82/79/1367558279.db2.gz HZHKVRFGMHNPGO-RDGPPVDQSA-N 2 2 346.519 3.067 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110511933 1367794315 /nfs/dbraw/zinc/79/43/15/1367794315.db2.gz ZKRKCVAHBLDVGJ-KURKYZTESA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110511933 1367794320 /nfs/dbraw/zinc/79/43/20/1367794320.db2.gz ZKRKCVAHBLDVGJ-KURKYZTESA-N 2 2 344.503 3.034 20 0 EGADLP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193216793 1367968891 /nfs/dbraw/zinc/96/88/91/1367968891.db2.gz DOYIHKYWNWXZQR-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193216793 1367968897 /nfs/dbraw/zinc/96/88/97/1367968897.db2.gz DOYIHKYWNWXZQR-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001112331194 1368769780 /nfs/dbraw/zinc/76/97/80/1368769780.db2.gz GBSWYWLDXXVXJM-PXNSSMCTSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197284123 1368779554 /nfs/dbraw/zinc/77/95/54/1368779554.db2.gz WHAQCPMWQLQJCM-ZWKOTPCHSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197284123 1368779556 /nfs/dbraw/zinc/77/95/56/1368779556.db2.gz WHAQCPMWQLQJCM-ZWKOTPCHSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197817590 1368905037 /nfs/dbraw/zinc/90/50/37/1368905037.db2.gz OCHPICFVJDUWTN-UHFFFAOYSA-N 2 2 334.508 3.048 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001197817590 1368905040 /nfs/dbraw/zinc/90/50/40/1368905040.db2.gz OCHPICFVJDUWTN-UHFFFAOYSA-N 2 2 334.508 3.048 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC001325435812 1387971960 /nfs/dbraw/zinc/97/19/60/1387971960.db2.gz WTFXIYDHKYGVPI-DLBZAZTESA-N 2 2 325.456 3.241 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC001325435812 1387971961 /nfs/dbraw/zinc/97/19/61/1387971961.db2.gz WTFXIYDHKYGVPI-DLBZAZTESA-N 2 2 325.456 3.241 20 0 EGADLP CCCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCCO1 ZINC001201023152 1369467479 /nfs/dbraw/zinc/46/74/79/1369467479.db2.gz MQDOSHZQISBCCH-SFHVURJKSA-N 2 2 347.503 3.018 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001113724332 1369587065 /nfs/dbraw/zinc/58/70/65/1369587065.db2.gz XBSLVEOYFKTZKW-OALUTQOASA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]([NH2+]C/C=C/Cl)C23CCC3)c(C)[nH+]1 ZINC001203194196 1370019789 /nfs/dbraw/zinc/01/97/89/1370019789.db2.gz ZNAWOPQBPCASQN-AUPUMLSVSA-N 2 2 347.890 3.390 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659495 1370205932 /nfs/dbraw/zinc/20/59/32/1370205932.db2.gz IBCKIYXBTWGJMI-OSFIAYCASA-N 2 2 344.503 3.024 20 0 EGADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc(F)c2)CC3)cn1 ZINC001203784540 1370263960 /nfs/dbraw/zinc/26/39/60/1370263960.db2.gz GIXYDQZWXXYFDA-UHFFFAOYSA-N 2 2 342.462 3.190 20 0 EGADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc(F)c2)CC3)cn1 ZINC001203784540 1370263964 /nfs/dbraw/zinc/26/39/64/1370263964.db2.gz GIXYDQZWXXYFDA-UHFFFAOYSA-N 2 2 342.462 3.190 20 0 EGADLP COCC[N@H+](Cc1c(OC)ccc2ccccc21)C1CC[NH+](C)CC1 ZINC001203989535 1370340352 /nfs/dbraw/zinc/34/03/52/1370340352.db2.gz BXFSJFGEWSLKIK-UHFFFAOYSA-N 2 2 342.483 3.391 20 0 EGADLP COCC[N@@H+](Cc1c(OC)ccc2ccccc21)C1CC[NH+](C)CC1 ZINC001203989535 1370340356 /nfs/dbraw/zinc/34/03/56/1370340356.db2.gz BXFSJFGEWSLKIK-UHFFFAOYSA-N 2 2 342.483 3.391 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204005123 1370345118 /nfs/dbraw/zinc/34/51/18/1370345118.db2.gz CHIZALCMGTZKED-UHFFFAOYSA-N 2 2 328.460 3.250 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc[nH]1)CC2 ZINC001204005123 1370345125 /nfs/dbraw/zinc/34/51/25/1370345125.db2.gz CHIZALCMGTZKED-UHFFFAOYSA-N 2 2 328.460 3.250 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)ccc1F)CC2 ZINC001204499137 1370493972 /nfs/dbraw/zinc/49/39/72/1370493972.db2.gz WGGBKGZHDHXFKP-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP COCOc1cc(C)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC001204612230 1370529906 /nfs/dbraw/zinc/52/99/06/1370529906.db2.gz KEPVKFHYUIVLMH-SFHVURJKSA-N 2 2 340.467 3.486 20 0 EGADLP COCOc1cc(C)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1 ZINC001204612230 1370529908 /nfs/dbraw/zinc/52/99/08/1370529908.db2.gz KEPVKFHYUIVLMH-SFHVURJKSA-N 2 2 340.467 3.486 20 0 EGADLP CC(C)c1cc(Br)ccc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204755261 1370568085 /nfs/dbraw/zinc/56/80/85/1370568085.db2.gz FADMFJCMUGSRQH-OAHLLOKOSA-N 2 2 341.293 3.122 20 0 EGADLP CC(C)c1cc(Br)ccc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC001204755261 1370568091 /nfs/dbraw/zinc/56/80/91/1370568091.db2.gz FADMFJCMUGSRQH-OAHLLOKOSA-N 2 2 341.293 3.122 20 0 EGADLP O=C(NCC1([NH2+]CC2CCCC2)CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001115580967 1370583786 /nfs/dbraw/zinc/58/37/86/1370583786.db2.gz YNMSWILCCKLQPW-IAGOWNOFSA-N 2 2 344.503 3.112 20 0 EGADLP O=C(NCC1([NH2+]CC2CCCC2)CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001115580967 1370583790 /nfs/dbraw/zinc/58/37/90/1370583790.db2.gz YNMSWILCCKLQPW-IAGOWNOFSA-N 2 2 344.503 3.112 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CC3)CCCCC2)c(C)[nH+]1 ZINC001115640915 1370632828 /nfs/dbraw/zinc/63/28/28/1370632828.db2.gz UYGFSDSQAYIXGN-UHFFFAOYSA-N 2 2 329.488 3.439 20 0 EGADLP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001115725079 1370705773 /nfs/dbraw/zinc/70/57/73/1370705773.db2.gz JHNOZYXVKIPNMO-INIZCTEOSA-N 2 2 344.503 3.038 20 0 EGADLP CCCCC[NH2+]CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001205290407 1370708056 /nfs/dbraw/zinc/70/80/56/1370708056.db2.gz IYOYIRYWWJQEKE-UHFFFAOYSA-N 2 2 342.487 3.275 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC001205332022 1370723273 /nfs/dbraw/zinc/72/32/73/1370723273.db2.gz MDLYCUWBUGDMJE-INIZCTEOSA-N 2 2 334.467 3.494 20 0 EGADLP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC001205332022 1370723277 /nfs/dbraw/zinc/72/32/77/1370723277.db2.gz MDLYCUWBUGDMJE-INIZCTEOSA-N 2 2 334.467 3.494 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115767198 1370752091 /nfs/dbraw/zinc/75/20/91/1370752091.db2.gz BAOKBPCFAIBZSR-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115767198 1370752095 /nfs/dbraw/zinc/75/20/95/1370752095.db2.gz BAOKBPCFAIBZSR-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500408 1370773701 /nfs/dbraw/zinc/77/37/01/1370773701.db2.gz UYQOBSQJEFVMCQ-MJGOQNOKSA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C/CC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512441 1370776611 /nfs/dbraw/zinc/77/66/11/1370776611.db2.gz MAHNKATWWUMPMY-VOTSOKGWSA-N 2 2 346.519 3.111 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC(C[NH2+]CCC(C)(C)C)CC2)c[nH+]1 ZINC001205512841 1370777047 /nfs/dbraw/zinc/77/70/47/1370777047.db2.gz UMFHSSKPFAWZHX-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(-c3ccccc3)ncc2Cl)C1 ZINC001205736128 1370855417 /nfs/dbraw/zinc/85/54/17/1370855417.db2.gz VJUTXNCWKZGBEY-IBGZPJMESA-N 2 2 345.874 3.078 20 0 EGADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(-c3ccccc3)ncc2Cl)C1 ZINC001205736128 1370855420 /nfs/dbraw/zinc/85/54/20/1370855420.db2.gz VJUTXNCWKZGBEY-IBGZPJMESA-N 2 2 345.874 3.078 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)n2)cc1 ZINC001205781727 1370867972 /nfs/dbraw/zinc/86/79/72/1370867972.db2.gz YGZOHKWQOSKZFV-HNNXBMFYSA-N 2 2 347.409 3.173 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)n2)cc1 ZINC001205781727 1370867975 /nfs/dbraw/zinc/86/79/75/1370867975.db2.gz YGZOHKWQOSKZFV-HNNXBMFYSA-N 2 2 347.409 3.173 20 0 EGADLP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001116296710 1370880776 /nfs/dbraw/zinc/88/07/76/1370880776.db2.gz ZNAKWRGVECFHRP-RTWAWAEBSA-N 2 2 344.547 3.184 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350579 1370891887 /nfs/dbraw/zinc/89/18/87/1370891887.db2.gz GGJTUFWPHJTEKF-QZTJIDSGSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350579 1370891890 /nfs/dbraw/zinc/89/18/90/1370891890.db2.gz GGJTUFWPHJTEKF-QZTJIDSGSA-N 2 2 329.419 3.139 20 0 EGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901330 1370904854 /nfs/dbraw/zinc/90/48/54/1370904854.db2.gz CNYPSTWCBCGAAB-CHWSQXEVSA-N 2 2 342.940 3.346 20 0 EGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901330 1370904855 /nfs/dbraw/zinc/90/48/55/1370904855.db2.gz CNYPSTWCBCGAAB-CHWSQXEVSA-N 2 2 342.940 3.346 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916913 1370910588 /nfs/dbraw/zinc/91/05/88/1370910588.db2.gz WIUZGWVATWYCBZ-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1Br ZINC001205916913 1370910592 /nfs/dbraw/zinc/91/05/92/1370910592.db2.gz WIUZGWVATWYCBZ-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923920 1370912770 /nfs/dbraw/zinc/91/27/70/1370912770.db2.gz QGRIGAMREXZAOO-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205923920 1370912775 /nfs/dbraw/zinc/91/27/75/1370912775.db2.gz QGRIGAMREXZAOO-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C[C@H]1O ZINC001205953230 1370921416 /nfs/dbraw/zinc/92/14/16/1370921416.db2.gz PAMAPIKTSKVHNY-HUUCEWRRSA-N 2 2 341.238 3.147 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C[C@H]1O ZINC001205953230 1370921429 /nfs/dbraw/zinc/92/14/29/1370921429.db2.gz PAMAPIKTSKVHNY-HUUCEWRRSA-N 2 2 341.238 3.147 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cn(C)nc2C(F)F)[nH+]1 ZINC001116654459 1370951873 /nfs/dbraw/zinc/95/18/73/1370951873.db2.gz CCKSCOZDUHKHGI-AWEZNQCLSA-N 2 2 335.402 3.138 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cn(C)nc2C(F)F)[nH+]1 ZINC001116654459 1370951879 /nfs/dbraw/zinc/95/18/79/1370951879.db2.gz CCKSCOZDUHKHGI-AWEZNQCLSA-N 2 2 335.402 3.138 20 0 EGADLP COc1cccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1Br ZINC001206574201 1371097307 /nfs/dbraw/zinc/09/73/07/1371097307.db2.gz QLCPVMLXUGGELT-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1Br ZINC001206574201 1371097311 /nfs/dbraw/zinc/09/73/11/1371097311.db2.gz QLCPVMLXUGGELT-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP Clc1cccc(CC2CC[NH+](Cc3cn4c(n3)C[NH2+]CC4)CC2)c1 ZINC001206703338 1371139661 /nfs/dbraw/zinc/13/96/61/1371139661.db2.gz IMZRVGWARBAWEX-UHFFFAOYSA-N 2 2 344.890 3.094 20 0 EGADLP CC1(C[NH3+])C[NH+](Cc2ccc(OCc3cnc(Cl)s3)cc2)C1 ZINC001206717764 1371143656 /nfs/dbraw/zinc/14/36/56/1371143656.db2.gz FQAVPUIMZFPYMD-UHFFFAOYSA-N 2 2 337.876 3.156 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)n1C ZINC001206794695 1371169080 /nfs/dbraw/zinc/16/90/80/1371169080.db2.gz VLNSUKGESAZZGH-JZXOWHBKSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001207316784 1371359195 /nfs/dbraw/zinc/35/91/95/1371359195.db2.gz BYIHDOVLKKCDFE-KRWDZBQOSA-N 2 2 348.491 3.310 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001207345288 1371366985 /nfs/dbraw/zinc/36/69/85/1371366985.db2.gz CPGNBTWXIKZOPX-ROUUACIJSA-N 2 2 335.442 3.271 20 0 EGADLP Cc1cc(N2CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC2)nc(C)[nH+]1 ZINC001207670770 1371470861 /nfs/dbraw/zinc/47/08/61/1371470861.db2.gz KPWCQAZWIDLFFG-MRXNPFEDSA-N 2 2 348.535 3.183 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411176 1371757797 /nfs/dbraw/zinc/75/77/97/1371757797.db2.gz OLRIDNZQBUILBW-LKGOPFMKSA-N 2 2 346.519 3.254 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411443 1371758387 /nfs/dbraw/zinc/75/83/87/1371758387.db2.gz UISCSXGPVZJIRM-QGZVFWFLSA-N 2 2 334.508 3.088 20 0 EGADLP COc1ccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001208762770 1371888302 /nfs/dbraw/zinc/88/83/02/1371888302.db2.gz XUXSEUNMPUXGGX-QGZVFWFLSA-N 2 2 342.439 3.103 20 0 EGADLP COc1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001208762770 1371888312 /nfs/dbraw/zinc/88/83/12/1371888312.db2.gz XUXSEUNMPUXGGX-QGZVFWFLSA-N 2 2 342.439 3.103 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)C(F)(F)F)[C@@H]2C ZINC001208889571 1371933537 /nfs/dbraw/zinc/93/35/37/1371933537.db2.gz AANDCONLSYAJOK-CHWSQXEVSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H](C)C(F)(F)F)[C@@H]2C ZINC001208889571 1371933541 /nfs/dbraw/zinc/93/35/41/1371933541.db2.gz AANDCONLSYAJOK-CHWSQXEVSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H](C)C(F)(F)F)[C@@H]2C ZINC001208889571 1371933545 /nfs/dbraw/zinc/93/35/45/1371933545.db2.gz AANDCONLSYAJOK-CHWSQXEVSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H](C)C(F)(F)F)[C@@H]2C ZINC001208889571 1371933549 /nfs/dbraw/zinc/93/35/49/1371933549.db2.gz AANDCONLSYAJOK-CHWSQXEVSA-N 2 2 332.414 3.298 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cccs1)[C@@H]2C ZINC001209225425 1372043639 /nfs/dbraw/zinc/04/36/39/1372043639.db2.gz QOOWTVYEEQJQMU-OAHLLOKOSA-N 2 2 332.517 3.404 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cccs1)[C@@H]2C ZINC001209225425 1372043642 /nfs/dbraw/zinc/04/36/42/1372043642.db2.gz QOOWTVYEEQJQMU-OAHLLOKOSA-N 2 2 332.517 3.404 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cccs1)[C@@H]2C ZINC001209225425 1372043645 /nfs/dbraw/zinc/04/36/45/1372043645.db2.gz QOOWTVYEEQJQMU-OAHLLOKOSA-N 2 2 332.517 3.404 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cccs1)[C@@H]2C ZINC001209225425 1372043648 /nfs/dbraw/zinc/04/36/48/1372043648.db2.gz QOOWTVYEEQJQMU-OAHLLOKOSA-N 2 2 332.517 3.404 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1C[C@@H](C)O[C@H](C)C1)[C@@H]2C ZINC001209378263 1372081926 /nfs/dbraw/zinc/08/19/26/1372081926.db2.gz COGOVRIOMHSENI-BRWVUGGUSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1C[C@@H](C)O[C@H](C)C1)[C@@H]2C ZINC001209378263 1372081929 /nfs/dbraw/zinc/08/19/29/1372081929.db2.gz COGOVRIOMHSENI-BRWVUGGUSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1C[C@@H](C)O[C@H](C)C1)[C@@H]2C ZINC001209378263 1372081935 /nfs/dbraw/zinc/08/19/35/1372081935.db2.gz COGOVRIOMHSENI-BRWVUGGUSA-N 2 2 348.535 3.304 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1C[C@@H](C)O[C@H](C)C1)[C@@H]2C ZINC001209378263 1372081937 /nfs/dbraw/zinc/08/19/37/1372081937.db2.gz COGOVRIOMHSENI-BRWVUGGUSA-N 2 2 348.535 3.304 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001326405751 1388179420 /nfs/dbraw/zinc/17/94/20/1388179420.db2.gz GRIVCRIAJSMUER-QIDMFYOTSA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001326405751 1388179425 /nfs/dbraw/zinc/17/94/25/1388179425.db2.gz GRIVCRIAJSMUER-QIDMFYOTSA-N 3 2 339.527 3.113 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209453031 1372110154 /nfs/dbraw/zinc/11/01/54/1372110154.db2.gz DDLFGAFNJXZTBF-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209453031 1372110157 /nfs/dbraw/zinc/11/01/57/1372110157.db2.gz DDLFGAFNJXZTBF-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001209491236 1372118931 /nfs/dbraw/zinc/11/89/31/1372118931.db2.gz BNYRVCLNOOLNTC-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001209491236 1372118944 /nfs/dbraw/zinc/11/89/44/1372118944.db2.gz BNYRVCLNOOLNTC-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001209491236 1372118948 /nfs/dbraw/zinc/11/89/48/1372118948.db2.gz BNYRVCLNOOLNTC-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001209491236 1372118952 /nfs/dbraw/zinc/11/89/52/1372118952.db2.gz BNYRVCLNOOLNTC-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)cc2[nH]1 ZINC001209509478 1372124248 /nfs/dbraw/zinc/12/42/48/1372124248.db2.gz BUEVQWDYGLDQRF-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)cc2[nH]1 ZINC001209509478 1372124253 /nfs/dbraw/zinc/12/42/53/1372124253.db2.gz BUEVQWDYGLDQRF-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc2[nH]1 ZINC001209509478 1372124256 /nfs/dbraw/zinc/12/42/56/1372124256.db2.gz BUEVQWDYGLDQRF-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc2[nH]1 ZINC001209509478 1372124261 /nfs/dbraw/zinc/12/42/61/1372124261.db2.gz BUEVQWDYGLDQRF-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP COC(=O)c1ccc([C@H]2CCCC[N@@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209733342 1372179140 /nfs/dbraw/zinc/17/91/40/1372179140.db2.gz KWDJHDDNLCKWKT-GOSISDBHSA-N 2 2 325.412 3.008 20 0 EGADLP COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2c[nH+]ccc2N)cc1 ZINC001209733342 1372179143 /nfs/dbraw/zinc/17/91/43/1372179143.db2.gz KWDJHDDNLCKWKT-GOSISDBHSA-N 2 2 325.412 3.008 20 0 EGADLP CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438593 1372353105 /nfs/dbraw/zinc/35/31/05/1372353105.db2.gz UWEUKZKKIZAWRS-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C[NH2+]C)cc3)c2c1 ZINC001211129906 1372488383 /nfs/dbraw/zinc/48/83/83/1372488383.db2.gz HQUGMLAVVIFCFZ-UHFFFAOYSA-N 2 2 335.407 3.296 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1c[nH+]cc(C)c1C ZINC001213528676 1372919686 /nfs/dbraw/zinc/91/96/86/1372919686.db2.gz KZWKCXGGQZKAMG-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001215254932 1373190759 /nfs/dbraw/zinc/19/07/59/1373190759.db2.gz PJRXVHMSMISBRA-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706201 1373233926 /nfs/dbraw/zinc/23/39/26/1373233926.db2.gz ZACJRKYEWXELIK-BFQLNGAHSA-N 2 2 332.492 3.017 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001500 1373444487 /nfs/dbraw/zinc/44/44/87/1373444487.db2.gz QRCWFAPXLGFYLS-PKOBYXMFSA-N 2 2 342.487 3.246 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001130006311 1373445124 /nfs/dbraw/zinc/44/51/24/1373445124.db2.gz BTRRFXPWJIBYTF-GOSISDBHSA-N 2 2 346.519 3.147 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001130268990 1373481985 /nfs/dbraw/zinc/48/19/85/1373481985.db2.gz SOUPTQJUZOQFJD-HNNXBMFYSA-N 2 2 336.439 3.260 20 0 EGADLP CCCOc1ccc(-c2nnc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)o2)cc1 ZINC001217698409 1373489843 /nfs/dbraw/zinc/48/98/43/1373489843.db2.gz CJIOHJGIVFADSL-QGZVFWFLSA-N 2 2 338.411 3.151 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410709 1373609364 /nfs/dbraw/zinc/60/93/64/1373609364.db2.gz KPNLLNQYDZLLSA-QGZVFWFLSA-N 2 2 344.842 3.135 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001218410709 1373609366 /nfs/dbraw/zinc/60/93/66/1373609366.db2.gz KPNLLNQYDZLLSA-QGZVFWFLSA-N 2 2 344.842 3.135 20 0 EGADLP CC(C)c1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C(F)(F)F)c1 ZINC001219266359 1373697902 /nfs/dbraw/zinc/69/79/02/1373697902.db2.gz GSSSVKQNBLOTFP-CYBMUJFWSA-N 2 2 340.349 3.060 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H]2CCc3c2cccc3F)c(C)[nH+]1 ZINC001131563127 1373721218 /nfs/dbraw/zinc/72/12/18/1373721218.db2.gz ZSOPHXCPAALOCI-SFHVURJKSA-N 2 2 341.430 3.153 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131562736 1373721431 /nfs/dbraw/zinc/72/14/31/1373721431.db2.gz HWPGPMAFQNAOKI-INIZCTEOSA-N 2 2 325.456 3.396 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131560622 1373721462 /nfs/dbraw/zinc/72/14/62/1373721462.db2.gz VUOLMXDLXPXQIR-UHFFFAOYSA-N 2 2 325.456 3.143 20 0 EGADLP Fc1ccc(-c2cccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)c2)cc1 ZINC001222497760 1373849955 /nfs/dbraw/zinc/84/99/55/1373849955.db2.gz ZIEFOCHRLKFGPA-SFTDATJTSA-N 2 2 339.458 3.019 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132445575 1375389975 /nfs/dbraw/zinc/38/99/75/1375389975.db2.gz PRNGOMSETNMPCI-GOEBONIOSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132445575 1375389980 /nfs/dbraw/zinc/38/99/80/1375389980.db2.gz PRNGOMSETNMPCI-GOEBONIOSA-N 2 2 334.508 3.056 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458183 1375401046 /nfs/dbraw/zinc/40/10/46/1375401046.db2.gz QXMYEQAUUSPTDD-ZGKJDNBHSA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458183 1375401048 /nfs/dbraw/zinc/40/10/48/1375401048.db2.gz QXMYEQAUUSPTDD-ZGKJDNBHSA-N 2 2 346.519 3.068 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC(C)(C)C ZINC001132546565 1375453334 /nfs/dbraw/zinc/45/33/34/1375453334.db2.gz NXYRURQGBPLXNM-DLBZAZTESA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC(C)(C)C ZINC001132546565 1375453335 /nfs/dbraw/zinc/45/33/35/1375453335.db2.gz NXYRURQGBPLXNM-DLBZAZTESA-N 2 2 334.508 3.069 20 0 EGADLP CCCCC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922553 1375491321 /nfs/dbraw/zinc/49/13/21/1375491321.db2.gz FEMGGQHDURMXCB-GOSISDBHSA-N 2 2 334.508 3.241 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228528615 1375587877 /nfs/dbraw/zinc/58/78/77/1375587877.db2.gz HFKWATNVIRITDR-GVDBMIGSSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529637 1375589526 /nfs/dbraw/zinc/58/95/26/1375589526.db2.gz WVOSOVSUXLSPOF-BZUAXINKSA-N 2 2 332.492 3.037 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001229384635 1375824508 /nfs/dbraw/zinc/82/45/08/1375824508.db2.gz IAFJLKNTFYKYEP-QGZVFWFLSA-N 2 2 344.503 3.305 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+](CCCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001229386041 1375824529 /nfs/dbraw/zinc/82/45/29/1375824529.db2.gz WUFNLJUGNGLPFS-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133241863 1375862776 /nfs/dbraw/zinc/86/27/76/1375862776.db2.gz LUBNGCFGLSRIGW-WBVHZDCISA-N 2 2 348.535 3.198 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133270378 1375885761 /nfs/dbraw/zinc/88/57/61/1375885761.db2.gz JHEKACSPCNRESE-WXYTYNPNSA-N 2 2 346.519 3.081 20 0 EGADLP Nc1[nH]c2cc(O[C@@H]3CC[N@H+](Cc4ccccc4Cl)C3)ccc2[nH+]1 ZINC001230518348 1376049947 /nfs/dbraw/zinc/04/99/47/1376049947.db2.gz PMEMTSUWYVWTDP-CQSZACIVSA-N 2 2 342.830 3.452 20 0 EGADLP Nc1[nH]c2cc(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)ccc2[nH+]1 ZINC001230518348 1376049951 /nfs/dbraw/zinc/04/99/51/1376049951.db2.gz PMEMTSUWYVWTDP-CQSZACIVSA-N 2 2 342.830 3.452 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012814 1376381148 /nfs/dbraw/zinc/38/11/48/1376381148.db2.gz SRIPJUYKOJYFMQ-SJORKVTESA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012814 1376381155 /nfs/dbraw/zinc/38/11/55/1376381155.db2.gz SRIPJUYKOJYFMQ-SJORKVTESA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012760 1376381963 /nfs/dbraw/zinc/38/19/63/1376381963.db2.gz QKEBANXZOBXIKC-IYBDPMFKSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012760 1376381967 /nfs/dbraw/zinc/38/19/67/1376381967.db2.gz QKEBANXZOBXIKC-IYBDPMFKSA-N 2 2 342.443 3.147 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001232016387 1376386901 /nfs/dbraw/zinc/38/69/01/1376386901.db2.gz WTCUIBOOUWQDRT-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001232016387 1376386906 /nfs/dbraw/zinc/38/69/06/1376386906.db2.gz WTCUIBOOUWQDRT-OKILXGFUSA-N 2 2 344.459 3.393 20 0 EGADLP c1cn(C2CC[NH+](Cc3cc(OCc4ccccc4)no3)CC2)c[nH+]1 ZINC001232453192 1376461870 /nfs/dbraw/zinc/46/18/70/1376461870.db2.gz SAOUWNLNSKCRFA-UHFFFAOYSA-N 2 2 338.411 3.287 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369955 1376497851 /nfs/dbraw/zinc/49/78/51/1376497851.db2.gz VEBYCCUSJJWAOE-GJZGRUSLSA-N 2 2 328.460 3.095 20 0 EGADLP Clc1ccc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)[nH]c2c1 ZINC001232732497 1376509907 /nfs/dbraw/zinc/50/99/07/1376509907.db2.gz TZMZWYHWKYSLPD-UHFFFAOYSA-N 2 2 346.906 3.035 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cnc1C ZINC001233159508 1376577331 /nfs/dbraw/zinc/57/73/31/1376577331.db2.gz WHRUVNJOGWRDCE-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cnc1C ZINC001233159508 1376577335 /nfs/dbraw/zinc/57/73/35/1376577335.db2.gz WHRUVNJOGWRDCE-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cnc1C ZINC001233159508 1376577338 /nfs/dbraw/zinc/57/73/38/1376577338.db2.gz WHRUVNJOGWRDCE-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cnc1C ZINC001233159508 1376577341 /nfs/dbraw/zinc/57/73/41/1376577341.db2.gz WHRUVNJOGWRDCE-FQEVSTJZSA-N 2 2 331.504 3.021 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)s1 ZINC001134548508 1376586088 /nfs/dbraw/zinc/58/60/88/1376586088.db2.gz HCHAALVQRHMMMF-STQMWFEESA-N 2 2 348.516 3.094 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)s1 ZINC001134548508 1376586091 /nfs/dbraw/zinc/58/60/91/1376586091.db2.gz HCHAALVQRHMMMF-STQMWFEESA-N 2 2 348.516 3.094 20 0 EGADLP COCOc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001233282689 1376603052 /nfs/dbraw/zinc/60/30/52/1376603052.db2.gz BGNWAESABSIPDC-UHFFFAOYSA-N 2 2 337.423 3.487 20 0 EGADLP COCOc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001233282689 1376603055 /nfs/dbraw/zinc/60/30/55/1376603055.db2.gz BGNWAESABSIPDC-UHFFFAOYSA-N 2 2 337.423 3.487 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C2 ZINC001233340337 1376621857 /nfs/dbraw/zinc/62/18/57/1376621857.db2.gz YRRKVGXMRFSMFJ-OXQOHEQNSA-N 2 2 345.487 3.417 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C2 ZINC001233340337 1376621864 /nfs/dbraw/zinc/62/18/64/1376621864.db2.gz YRRKVGXMRFSMFJ-OXQOHEQNSA-N 2 2 345.487 3.417 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234024692 1376756793 /nfs/dbraw/zinc/75/67/93/1376756793.db2.gz KIUJLSLCLPFVMT-INIZCTEOSA-N 2 2 335.407 3.297 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134969229 1376818501 /nfs/dbraw/zinc/81/85/01/1376818501.db2.gz KTXTYKDAIRHPSQ-HOTGVXAUSA-N 2 2 336.439 3.021 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235040966 1376839075 /nfs/dbraw/zinc/83/90/75/1376839075.db2.gz VANIXWYFAGQXIY-SFHVURJKSA-N 2 2 336.863 3.235 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c(Cl)c1 ZINC001235040966 1376839079 /nfs/dbraw/zinc/83/90/79/1376839079.db2.gz VANIXWYFAGQXIY-SFHVURJKSA-N 2 2 336.863 3.235 20 0 EGADLP c1ccc(Oc2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235113750 1376846141 /nfs/dbraw/zinc/84/61/41/1376846141.db2.gz FNCJPAHTLJHCGK-NRFANRHFSA-N 2 2 338.451 3.433 20 0 EGADLP c1ccc(Oc2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235113750 1376846145 /nfs/dbraw/zinc/84/61/45/1376846145.db2.gz FNCJPAHTLJHCGK-NRFANRHFSA-N 2 2 338.451 3.433 20 0 EGADLP CC[N@H+](Cc1ccc(C)c(Br)c1F)C1CC[NH2+]CC1 ZINC001235764468 1376889894 /nfs/dbraw/zinc/88/98/94/1376889894.db2.gz FOUIDXZCNASPMQ-UHFFFAOYSA-N 2 2 329.257 3.471 20 0 EGADLP CC[N@@H+](Cc1ccc(C)c(Br)c1F)C1CC[NH2+]CC1 ZINC001235764468 1376889898 /nfs/dbraw/zinc/88/98/98/1376889898.db2.gz FOUIDXZCNASPMQ-UHFFFAOYSA-N 2 2 329.257 3.471 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138241 1376929062 /nfs/dbraw/zinc/92/90/62/1376929062.db2.gz YQMCOFPUYQZNML-DLBZAZTESA-N 2 2 348.535 3.363 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001236183295 1376940680 /nfs/dbraw/zinc/94/06/80/1376940680.db2.gz VWOQZLFPYBGYKZ-UHOFOFEASA-N 2 2 344.833 3.204 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001236183295 1376940684 /nfs/dbraw/zinc/94/06/84/1376940684.db2.gz VWOQZLFPYBGYKZ-UHOFOFEASA-N 2 2 344.833 3.204 20 0 EGADLP Fc1cccc(C[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001236389693 1376951418 /nfs/dbraw/zinc/95/14/18/1376951418.db2.gz CDYIMCQPRJVQER-HXUWFJFHSA-N 3 2 345.506 3.160 20 0 EGADLP Fc1cccc(C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)c1 ZINC001236389693 1376951424 /nfs/dbraw/zinc/95/14/24/1376951424.db2.gz CDYIMCQPRJVQER-HXUWFJFHSA-N 3 2 345.506 3.160 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653825 1376958014 /nfs/dbraw/zinc/95/80/14/1376958014.db2.gz SFGCZHVQFFLVAG-IBGZPJMESA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653825 1376958023 /nfs/dbraw/zinc/95/80/23/1376958023.db2.gz SFGCZHVQFFLVAG-IBGZPJMESA-N 2 2 328.504 3.178 20 0 EGADLP CCC[N@@H+](Cc1cc(O)c(C)cc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236845051 1376965316 /nfs/dbraw/zinc/96/53/16/1376965316.db2.gz YGUBFPGKIHLSBR-CYBMUJFWSA-N 2 2 341.293 3.285 20 0 EGADLP CCC[N@H+](Cc1cc(O)c(C)cc1Br)C[C@@H]1CC[NH2+]C1 ZINC001236845051 1376965321 /nfs/dbraw/zinc/96/53/21/1376965321.db2.gz YGUBFPGKIHLSBR-CYBMUJFWSA-N 2 2 341.293 3.285 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001136057493 1377317271 /nfs/dbraw/zinc/31/72/71/1377317271.db2.gz YPXWKDVXCMPMRB-JKSUJKDBSA-N 2 2 336.524 3.052 20 0 EGADLP C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001271591306 1377642411 /nfs/dbraw/zinc/64/24/11/1377642411.db2.gz JKQQMYQAAWRMLA-AEFFLSMTSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1ccc2[nH]c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001138418529 1377720543 /nfs/dbraw/zinc/72/05/43/1377720543.db2.gz QZGKOFHOCZBFKN-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001138418529 1377720545 /nfs/dbraw/zinc/72/05/45/1377720545.db2.gz QZGKOFHOCZBFKN-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001138418529 1377720547 /nfs/dbraw/zinc/72/05/47/1377720547.db2.gz QZGKOFHOCZBFKN-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccn5)C[C@H]4C3)cc2c1 ZINC001138418529 1377720550 /nfs/dbraw/zinc/72/05/50/1377720550.db2.gz QZGKOFHOCZBFKN-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)cc1 ZINC001138543994 1377739771 /nfs/dbraw/zinc/73/97/71/1377739771.db2.gz AOWVAMNZBUJQGB-UHFFFAOYSA-N 2 2 347.418 3.468 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3cc4c(cc3C2)OCO4)cc1 ZINC001138543994 1377739773 /nfs/dbraw/zinc/73/97/73/1377739773.db2.gz AOWVAMNZBUJQGB-UHFFFAOYSA-N 2 2 347.418 3.468 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)c(OC)c3)C[C@H]2C1 ZINC001138576166 1377746204 /nfs/dbraw/zinc/74/62/04/1377746204.db2.gz JMLNKVYQSARJNA-QZTJIDSGSA-N 2 2 332.488 3.256 20 0 EGADLP Cc1cccc2c1CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139052635 1377822303 /nfs/dbraw/zinc/82/23/03/1377822303.db2.gz HTMLVATYMDPMJZ-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cc1cccc2c1CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC001139052635 1377822307 /nfs/dbraw/zinc/82/23/07/1377822307.db2.gz HTMLVATYMDPMJZ-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP FC1CC2(C1)CC[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001139054861 1377822550 /nfs/dbraw/zinc/82/25/50/1377822550.db2.gz IKZBNJUGJSQZSJ-UHFFFAOYSA-N 2 2 332.463 3.233 20 0 EGADLP CCn1ccc2ccc(C[N@H+](CCOC)C3CC[NH+](C)CC3)cc21 ZINC001139122876 1377833975 /nfs/dbraw/zinc/83/39/75/1377833975.db2.gz OBLZSXKBICNFND-UHFFFAOYSA-N 2 2 329.488 3.204 20 0 EGADLP CCn1ccc2ccc(C[N@@H+](CCOC)C3CC[NH+](C)CC3)cc21 ZINC001139122876 1377833976 /nfs/dbraw/zinc/83/39/76/1377833976.db2.gz OBLZSXKBICNFND-UHFFFAOYSA-N 2 2 329.488 3.204 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190784 1377847268 /nfs/dbraw/zinc/84/72/68/1377847268.db2.gz WPSGZHSBWYTGHU-FQEVSTJZSA-N 2 2 341.499 3.254 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190784 1377847269 /nfs/dbraw/zinc/84/72/69/1377847269.db2.gz WPSGZHSBWYTGHU-FQEVSTJZSA-N 2 2 341.499 3.254 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139207072 1377851571 /nfs/dbraw/zinc/85/15/71/1377851571.db2.gz RPTCMSKOFKTPBV-FQEVSTJZSA-N 2 2 341.499 3.254 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139207072 1377851572 /nfs/dbraw/zinc/85/15/72/1377851572.db2.gz RPTCMSKOFKTPBV-FQEVSTJZSA-N 2 2 341.499 3.254 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+](CC)CCC[NH+](C)C ZINC001139464790 1377887941 /nfs/dbraw/zinc/88/79/41/1377887941.db2.gz FUNZMHLMSXFJQD-UHFFFAOYSA-N 2 2 331.460 3.118 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+](CC)CCC[NH+](C)C ZINC001139464790 1377887950 /nfs/dbraw/zinc/88/79/50/1377887950.db2.gz FUNZMHLMSXFJQD-UHFFFAOYSA-N 2 2 331.460 3.118 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762198 1377947045 /nfs/dbraw/zinc/94/70/45/1377947045.db2.gz VDTMOGVFZHYGDI-PMACEKPBSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762198 1377947051 /nfs/dbraw/zinc/94/70/51/1377947051.db2.gz VDTMOGVFZHYGDI-PMACEKPBSA-N 2 2 344.499 3.020 20 0 EGADLP COCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001139827513 1377958009 /nfs/dbraw/zinc/95/80/09/1377958009.db2.gz ZLRMHGHJRDZIHP-ROUUACIJSA-N 2 2 342.508 3.458 20 0 EGADLP CC(C)[N@H+](Cc1ccccc1-c1cnc(N)nc1)C1CC[NH+](C)CC1 ZINC001140326195 1378046038 /nfs/dbraw/zinc/04/60/38/1378046038.db2.gz HXZAVAAWXAWUMI-UHFFFAOYSA-N 2 2 339.487 3.030 20 0 EGADLP CC(C)[N@@H+](Cc1ccccc1-c1cnc(N)nc1)C1CC[NH+](C)CC1 ZINC001140326195 1378046039 /nfs/dbraw/zinc/04/60/39/1378046039.db2.gz HXZAVAAWXAWUMI-UHFFFAOYSA-N 2 2 339.487 3.030 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(OCC4CC4)c3)C[C@H]2C1 ZINC001140491572 1378071578 /nfs/dbraw/zinc/07/15/78/1378071578.db2.gz GWYJBAUIWPTSME-RTBURBONSA-N 2 2 344.499 3.258 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(F)c1Cl)CC2 ZINC001140560794 1378085798 /nfs/dbraw/zinc/08/57/98/1378085798.db2.gz AJFNYRCFRZBDPW-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP OC1(c2ccc(F)cc2)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140803148 1378141798 /nfs/dbraw/zinc/14/17/98/1378141798.db2.gz LSBGSSGOYDMHOD-UHFFFAOYSA-N 2 2 325.387 3.186 20 0 EGADLP c1nn(-c2ccccc2)c2c1C[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805697 1378144526 /nfs/dbraw/zinc/14/45/26/1378144526.db2.gz DNOCPKITQIQFLD-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP c1nn(-c2ccccc2)c2c1C[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140805697 1378144530 /nfs/dbraw/zinc/14/45/30/1378144530.db2.gz DNOCPKITQIQFLD-UHFFFAOYSA-N 2 2 329.407 3.307 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2c1ccnc2Cl ZINC001277366125 1378219176 /nfs/dbraw/zinc/21/91/76/1378219176.db2.gz VYDJTMVIFSQOPT-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c2c1ccnc2Cl ZINC001277366125 1378219179 /nfs/dbraw/zinc/21/91/79/1378219179.db2.gz VYDJTMVIFSQOPT-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c2c1ccnc2Cl ZINC001277366125 1378219182 /nfs/dbraw/zinc/21/91/82/1378219182.db2.gz VYDJTMVIFSQOPT-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c2c1ccnc2Cl ZINC001277366125 1378219189 /nfs/dbraw/zinc/21/91/89/1378219189.db2.gz VYDJTMVIFSQOPT-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccn5ccnc5c4)C[C@H]3C2)cc1 ZINC001141048153 1378219949 /nfs/dbraw/zinc/21/99/49/1378219949.db2.gz GMBPKZSIHKRTGM-NHCUHLMSSA-N 2 2 346.478 3.207 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CCCCF)C3)C2)[nH]1 ZINC001278205178 1378262174 /nfs/dbraw/zinc/26/21/74/1378262174.db2.gz CEAYSIBOCUXVAN-LJQANCHMSA-N 2 2 335.467 3.215 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](CCCCF)C3)C2)[nH]1 ZINC001278205178 1378262178 /nfs/dbraw/zinc/26/21/78/1378262178.db2.gz CEAYSIBOCUXVAN-LJQANCHMSA-N 2 2 335.467 3.215 20 0 EGADLP O=c1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](CCCCF)C3)C2)[nH]1 ZINC001278205178 1378262183 /nfs/dbraw/zinc/26/21/83/1378262183.db2.gz CEAYSIBOCUXVAN-LJQANCHMSA-N 2 2 335.467 3.215 20 0 EGADLP O=c1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCCF)C3)C2)[nH]1 ZINC001278205178 1378262186 /nfs/dbraw/zinc/26/21/86/1378262186.db2.gz CEAYSIBOCUXVAN-LJQANCHMSA-N 2 2 335.467 3.215 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@@H]3C2)cc1 ZINC001142679417 1378475388 /nfs/dbraw/zinc/47/53/88/1378475388.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@@H]3C2)cc1 ZINC001142679417 1378475390 /nfs/dbraw/zinc/47/53/90/1378475390.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5[nH]cnc54)C[C@@H]3C2)cc1 ZINC001142679417 1378475392 /nfs/dbraw/zinc/47/53/92/1378475392.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5[nH]cnc54)C[C@@H]3C2)cc1 ZINC001142679417 1378475394 /nfs/dbraw/zinc/47/53/94/1378475394.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@@H]3C2)cc1 ZINC001142679417 1378475395 /nfs/dbraw/zinc/47/53/95/1378475395.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@@H]3C2)cc1 ZINC001142679417 1378475396 /nfs/dbraw/zinc/47/53/96/1378475396.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc5nc[nH]c54)C[C@@H]3C2)cc1 ZINC001142679417 1378475398 /nfs/dbraw/zinc/47/53/98/1378475398.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc5nc[nH]c54)C[C@@H]3C2)cc1 ZINC001142679417 1378475399 /nfs/dbraw/zinc/47/53/99/1378475399.db2.gz FPYPRDZPFHRIED-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP c1cn2cc(CN3CCC([N@@H+]4CCc5ccccc5C4)CC3)ccc2[nH+]1 ZINC001143027096 1378528878 /nfs/dbraw/zinc/52/88/78/1378528878.db2.gz JFPPAZDCSJXXNO-UHFFFAOYSA-N 2 2 346.478 3.357 20 0 EGADLP c1cn2cc(CN3CCC([N@H+]4CCc5ccccc5C4)CC3)ccc2[nH+]1 ZINC001143027096 1378528881 /nfs/dbraw/zinc/52/88/81/1378528881.db2.gz JFPPAZDCSJXXNO-UHFFFAOYSA-N 2 2 346.478 3.357 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc(C)c1F ZINC001143380735 1378589681 /nfs/dbraw/zinc/58/96/81/1378589681.db2.gz SIOTUWITHMSSLR-RTBURBONSA-N 2 2 339.458 3.401 20 0 EGADLP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001143584841 1378621098 /nfs/dbraw/zinc/62/10/98/1378621098.db2.gz ABGORLKJDKCEBR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001143584841 1378621100 /nfs/dbraw/zinc/62/11/00/1378621100.db2.gz ABGORLKJDKCEBR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001143584841 1378621102 /nfs/dbraw/zinc/62/11/02/1378621102.db2.gz ABGORLKJDKCEBR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001143584841 1378621105 /nfs/dbraw/zinc/62/11/05/1378621105.db2.gz ABGORLKJDKCEBR-KDURUIRLSA-N 2 2 325.431 3.093 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146707736 1378904461 /nfs/dbraw/zinc/90/44/61/1378904461.db2.gz ZHRSGAWRVCOFQC-IRXDYDNUSA-N 2 2 332.492 3.037 20 0 EGADLP CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766429 1379074812 /nfs/dbraw/zinc/07/48/12/1379074812.db2.gz ARBXIPQYNWFXMV-GOSISDBHSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766429 1379074815 /nfs/dbraw/zinc/07/48/15/1379074815.db2.gz ARBXIPQYNWFXMV-GOSISDBHSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358231 1379156465 /nfs/dbraw/zinc/15/64/65/1379156465.db2.gz YFMIUCTUDFOXQP-MSOLQXFVSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358231 1379156466 /nfs/dbraw/zinc/15/64/66/1379156466.db2.gz YFMIUCTUDFOXQP-MSOLQXFVSA-N 2 2 346.519 3.051 20 0 EGADLP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930162 1380157132 /nfs/dbraw/zinc/15/71/32/1380157132.db2.gz IDDRZSJKTFLIOR-AEFFLSMTSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930162 1380157134 /nfs/dbraw/zinc/15/71/34/1380157134.db2.gz IDDRZSJKTFLIOR-AEFFLSMTSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082886 1380201717 /nfs/dbraw/zinc/20/17/17/1380201717.db2.gz AOEAEJJELLWOMT-ZBFHGGJFSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082886 1380201721 /nfs/dbraw/zinc/20/17/21/1380201721.db2.gz AOEAEJJELLWOMT-ZBFHGGJFSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082886 1380201726 /nfs/dbraw/zinc/20/17/26/1380201726.db2.gz AOEAEJJELLWOMT-ZBFHGGJFSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082886 1380201730 /nfs/dbraw/zinc/20/17/30/1380201730.db2.gz AOEAEJJELLWOMT-ZBFHGGJFSA-N 2 2 348.535 3.086 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001155030706 1380395228 /nfs/dbraw/zinc/39/52/28/1380395228.db2.gz QSIRXHYPXJXKBH-RYUDHWBXSA-N 2 2 327.407 3.298 20 0 EGADLP Cc1cc(-c2ccccc2F)nnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063722 1380401500 /nfs/dbraw/zinc/40/15/00/1380401500.db2.gz ZSIKWSGSZNMLPT-UHFFFAOYSA-N 2 2 337.402 3.244 20 0 EGADLP Cc1ccc(C)c(-c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nn2)c1 ZINC001155064310 1380401677 /nfs/dbraw/zinc/40/16/77/1380401677.db2.gz NQHREHLQIIDONE-UHFFFAOYSA-N 2 2 333.439 3.413 20 0 EGADLP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)c21 ZINC001155123817 1380413026 /nfs/dbraw/zinc/41/30/26/1380413026.db2.gz KEYOEGZWDQJRIO-QGZVFWFLSA-N 2 2 331.370 3.144 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321158 1380436823 /nfs/dbraw/zinc/43/68/23/1380436823.db2.gz GEPMLFDUKBSNQD-BRWVUGGUSA-N 2 2 348.535 3.177 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321158 1380436825 /nfs/dbraw/zinc/43/68/25/1380436825.db2.gz GEPMLFDUKBSNQD-BRWVUGGUSA-N 2 2 348.535 3.177 20 0 EGADLP CC[N@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522591 1380464289 /nfs/dbraw/zinc/46/42/89/1380464289.db2.gz YNJFSYNSEAVPLC-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP CC[N@@H+](Cc1ccc(C)cc1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522591 1380464292 /nfs/dbraw/zinc/46/42/92/1380464292.db2.gz YNJFSYNSEAVPLC-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc(C2CCCCC2)[nH+]1 ZINC001155626662 1380475382 /nfs/dbraw/zinc/47/53/82/1380475382.db2.gz VYJVKGIGWSXFQQ-VQIMIIECSA-N 2 2 330.476 3.156 20 0 EGADLP CCOC(=O)/C=C/c1ccc[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156044187 1380515988 /nfs/dbraw/zinc/51/59/88/1380515988.db2.gz JGQJOEDZRHVXPK-ZHACJKMWSA-N 2 2 339.439 3.332 20 0 EGADLP COc1cc2[nH+]c(C)nc(NCC[C@H]3CCC[N@H+](C)C3)c2cc1OC ZINC001156379406 1380568062 /nfs/dbraw/zinc/56/80/62/1380568062.db2.gz UZQTVRCIWBVUIG-CQSZACIVSA-N 2 2 344.459 3.099 20 0 EGADLP COc1cc2[nH+]c(C)nc(NCC[C@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC001156379406 1380568063 /nfs/dbraw/zinc/56/80/63/1380568063.db2.gz UZQTVRCIWBVUIG-CQSZACIVSA-N 2 2 344.459 3.099 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676487 1380608830 /nfs/dbraw/zinc/60/88/30/1380608830.db2.gz FVAHUPMJZUNGOY-MRXNPFEDSA-N 2 2 336.524 3.006 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676487 1380608832 /nfs/dbraw/zinc/60/88/32/1380608832.db2.gz FVAHUPMJZUNGOY-MRXNPFEDSA-N 2 2 336.524 3.006 20 0 EGADLP CN(Cc1ccc2ccccc2c1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001156871773 1380711524 /nfs/dbraw/zinc/71/15/24/1380711524.db2.gz HDOJQAVGVCCKTO-UHFFFAOYSA-N 2 2 332.451 3.281 20 0 EGADLP COc1cc2c[nH+]c(N3CC[C@H]([N@H+](C)C(C)C)C3)cc2cc1OC ZINC001157022118 1380753038 /nfs/dbraw/zinc/75/30/38/1380753038.db2.gz UVTYRBPRLUFYHL-INIZCTEOSA-N 2 2 329.444 3.171 20 0 EGADLP COc1cc2c[nH+]c(N3CC[C@H]([N@@H+](C)C(C)C)C3)cc2cc1OC ZINC001157022118 1380753039 /nfs/dbraw/zinc/75/30/39/1380753039.db2.gz UVTYRBPRLUFYHL-INIZCTEOSA-N 2 2 329.444 3.171 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158571314 1381304369 /nfs/dbraw/zinc/30/43/69/1381304369.db2.gz CHAQSWCKXGYALG-FUHWJXTLSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158571314 1381304377 /nfs/dbraw/zinc/30/43/77/1381304377.db2.gz CHAQSWCKXGYALG-FUHWJXTLSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158571314 1381304384 /nfs/dbraw/zinc/30/43/84/1381304384.db2.gz CHAQSWCKXGYALG-FUHWJXTLSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158571314 1381304391 /nfs/dbraw/zinc/30/43/91/1381304391.db2.gz CHAQSWCKXGYALG-FUHWJXTLSA-N 2 2 348.535 3.337 20 0 EGADLP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654069 1381338677 /nfs/dbraw/zinc/33/86/77/1381338677.db2.gz NZCDOEOFYNJGHY-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654069 1381338679 /nfs/dbraw/zinc/33/86/79/1381338679.db2.gz NZCDOEOFYNJGHY-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP COc1cc2ccc(NCC34CC[NH+](CC3)CC4)[nH+]c2cc1OC ZINC001158826540 1381419273 /nfs/dbraw/zinc/41/92/73/1381419273.db2.gz DRYNTSJNQJKQEU-UHFFFAOYSA-N 2 2 327.428 3.150 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401115 1388737292 /nfs/dbraw/zinc/73/72/92/1388737292.db2.gz RSYPDRUNZZLNGS-ZJUUUORDSA-N 2 2 336.329 3.059 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401115 1388737294 /nfs/dbraw/zinc/73/72/94/1388737294.db2.gz RSYPDRUNZZLNGS-ZJUUUORDSA-N 2 2 336.329 3.059 20 0 EGADLP CC(C)n1c[nH+]c2cc(Nc3cccnc3N3CC[NH2+]CC3)ccc21 ZINC001159186876 1381723738 /nfs/dbraw/zinc/72/37/38/1381723738.db2.gz OKMPJNMHHQWUEZ-UHFFFAOYSA-N 2 2 336.443 3.165 20 0 EGADLP CN(C)c1ccc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1Cl ZINC001159261325 1381746328 /nfs/dbraw/zinc/74/63/28/1381746328.db2.gz HDBZIUACIXUNFU-UHFFFAOYSA-N 2 2 345.878 3.472 20 0 EGADLP [NH3+]C1CCN(c2ccc(Nc3ccc4c(c3)OC(F)(F)O4)c[nH+]2)CC1 ZINC001159322043 1381761170 /nfs/dbraw/zinc/76/11/70/1381761170.db2.gz XYXQKKWZVDJMPY-UHFFFAOYSA-N 2 2 348.353 3.074 20 0 EGADLP Cc1c[nH+]c(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c(C)c1 ZINC001159625264 1381851565 /nfs/dbraw/zinc/85/15/65/1381851565.db2.gz AHDDOPPNKHDMBX-MXVIHJGJSA-N 2 2 342.531 3.449 20 0 EGADLP Cc1c[nH+]c(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c(C)c1 ZINC001159625264 1381851572 /nfs/dbraw/zinc/85/15/72/1381851572.db2.gz AHDDOPPNKHDMBX-MXVIHJGJSA-N 2 2 342.531 3.449 20 0 EGADLP COc1cc[nH+]cc1Nc1ccc(Br)c2c1C[NH2+]CC2 ZINC001159941487 1381943559 /nfs/dbraw/zinc/94/35/59/1381943559.db2.gz BRXJZEBQDUJBAR-UHFFFAOYSA-N 2 2 334.217 3.242 20 0 EGADLP [NH3+]Cc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001160349564 1382079837 /nfs/dbraw/zinc/07/98/37/1382079837.db2.gz GXBAAKFDBKSVTJ-QGZVFWFLSA-N 2 2 333.382 3.265 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1=CC[N@@H+](C(C)C)CC1)n1cc[nH+]c1 ZINC001160423629 1382100305 /nfs/dbraw/zinc/10/03/05/1382100305.db2.gz UCMGKXLNYZHHMF-SFHVURJKSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1=CC[N@H+](C(C)C)CC1)n1cc[nH+]c1 ZINC001160423629 1382100307 /nfs/dbraw/zinc/10/03/07/1382100307.db2.gz UCMGKXLNYZHHMF-SFHVURJKSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001160528607 1382132320 /nfs/dbraw/zinc/13/23/20/1382132320.db2.gz RTMOZOXYXOGYJY-SFHVURJKSA-N 2 2 332.492 3.067 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CCCC1CCC1)n1cc[nH+]c1 ZINC001160535234 1382134447 /nfs/dbraw/zinc/13/44/47/1382134447.db2.gz YSUACNDOLWCTKI-SFHVURJKSA-N 2 2 334.508 3.147 20 0 EGADLP CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160729527 1382181067 /nfs/dbraw/zinc/18/10/67/1382181067.db2.gz KDXDXNBGDZBLMZ-HBFSDRIKSA-N 2 2 347.503 3.049 20 0 EGADLP CC(C)[N@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798356 1382199523 /nfs/dbraw/zinc/19/95/23/1382199523.db2.gz GFZGSPZDAVWSDH-UHFFFAOYSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)[N@@H+]1CC=C(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001160798356 1382199524 /nfs/dbraw/zinc/19/95/24/1382199524.db2.gz GFZGSPZDAVWSDH-UHFFFAOYSA-N 2 2 338.455 3.033 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160991098 1382264499 /nfs/dbraw/zinc/26/44/99/1382264499.db2.gz MPOKLKJUFUWZIO-HNNXBMFYSA-N 2 2 336.439 3.342 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012548 1382271454 /nfs/dbraw/zinc/27/14/54/1382271454.db2.gz CZFVEFJIQRSXFU-YVSFHVDLSA-N 2 2 340.471 3.311 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012548 1382271456 /nfs/dbraw/zinc/27/14/56/1382271456.db2.gz CZFVEFJIQRSXFU-YVSFHVDLSA-N 2 2 340.471 3.311 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541038 1382297916 /nfs/dbraw/zinc/29/79/16/1382297916.db2.gz LZDPRMLJEMGMSR-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541038 1382297919 /nfs/dbraw/zinc/29/79/19/1382297919.db2.gz LZDPRMLJEMGMSR-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP COCCC1(CNc2[nH+]c3ccc(OC)cc3cc2C)CC[NH2+]CC1 ZINC001161496909 1382423390 /nfs/dbraw/zinc/42/33/90/1382423390.db2.gz DHDUSKAZHGUCGY-UHFFFAOYSA-N 2 2 343.471 3.370 20 0 EGADLP Cc1[nH+]c2ccc(NCc3noc4c3C[NH2+]CC4)cc2n1C(C)C ZINC001163134659 1382973992 /nfs/dbraw/zinc/97/39/92/1382973992.db2.gz ZWGGAOVRJXIAHN-UHFFFAOYSA-N 2 2 325.416 3.171 20 0 EGADLP O=C(NCCC[NH2+]CCCC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473732 1383059735 /nfs/dbraw/zinc/05/97/35/1383059735.db2.gz VHGRFPOUMARKIR-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP C[NH+](C)C1(CNc2ncc(Cl)cc2C(F)F)CC[NH+](C)CC1 ZINC001164207154 1383165920 /nfs/dbraw/zinc/16/59/20/1383165920.db2.gz RLYHADSSFXTMCR-UHFFFAOYSA-N 2 2 332.826 3.111 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@]2(c2ccccc2)C1 ZINC001165168544 1383240690 /nfs/dbraw/zinc/24/06/90/1383240690.db2.gz KQIPYDZLRDLKET-YLJYHZDGSA-N 2 2 341.886 3.443 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H]2C[NH2+]C[C@]2(c2ccccc2)C1 ZINC001165168544 1383240694 /nfs/dbraw/zinc/24/06/94/1383240694.db2.gz KQIPYDZLRDLKET-YLJYHZDGSA-N 2 2 341.886 3.443 20 0 EGADLP Cc1c[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)c2[nH]ccc21 ZINC001165325817 1383273463 /nfs/dbraw/zinc/27/34/63/1383273463.db2.gz FJGRXDYXMNIGJA-UHFFFAOYSA-N 2 2 336.439 3.316 20 0 EGADLP Cc1[nH+]c2c(n1-c1ccc3ccc(Cl)c(C)c3n1)CC[NH2+]CC2 ZINC001165355753 1383280977 /nfs/dbraw/zinc/28/09/77/1383280977.db2.gz XBXSMKKXXNLZKI-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP Cc1nc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)cc(C(C)C)[nH+]1 ZINC001165672633 1383323233 /nfs/dbraw/zinc/32/32/33/1383323233.db2.gz WKOXALURWPOQMX-INIZCTEOSA-N 2 2 346.519 3.424 20 0 EGADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC/C=C/c1ccccc1 ZINC001166065882 1383385610 /nfs/dbraw/zinc/38/56/10/1383385610.db2.gz VJSKOOYNJSCARF-VMPITWQZSA-N 2 2 337.471 3.085 20 0 EGADLP CC/C=C/CC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166138125 1383394363 /nfs/dbraw/zinc/39/43/63/1383394363.db2.gz FHUJBQJAXPBQES-ONEGZZNKSA-N 2 2 340.471 3.180 20 0 EGADLP C[C@@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061499 1383807299 /nfs/dbraw/zinc/80/72/99/1383807299.db2.gz IOGNPLWLGOWXQR-RWQQGDIJSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168061499 1383807306 /nfs/dbraw/zinc/80/73/06/1383807306.db2.gz IOGNPLWLGOWXQR-RWQQGDIJSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371612 1383887332 /nfs/dbraw/zinc/88/73/32/1383887332.db2.gz PJQZJHNNIBIXKL-XMSQKQJNSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371612 1383887340 /nfs/dbraw/zinc/88/73/40/1383887340.db2.gz PJQZJHNNIBIXKL-XMSQKQJNSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001168483924 1383919428 /nfs/dbraw/zinc/91/94/28/1383919428.db2.gz CMZYKUWULSADKL-UXPWSPDFSA-N 2 2 339.458 3.216 20 0 EGADLP CC(C)[N@H+]([C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878262 1384043963 /nfs/dbraw/zinc/04/39/63/1384043963.db2.gz BJXZYHJOMUMSEB-WBVHZDCISA-N 2 2 339.524 3.189 20 0 EGADLP CC(C)[N@@H+]([C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878262 1384043967 /nfs/dbraw/zinc/04/39/67/1384043967.db2.gz BJXZYHJOMUMSEB-WBVHZDCISA-N 2 2 339.524 3.189 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001308176482 1384105752 /nfs/dbraw/zinc/10/57/52/1384105752.db2.gz KAUPUVFVFJMOEW-QGZVFWFLSA-N 2 2 344.421 3.460 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001308176482 1384105754 /nfs/dbraw/zinc/10/57/54/1384105754.db2.gz KAUPUVFVFJMOEW-QGZVFWFLSA-N 2 2 344.421 3.460 20 0 EGADLP CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151428 1384115534 /nfs/dbraw/zinc/11/55/34/1384115534.db2.gz JNAJEVCOHCVVDT-QFUCXCTJSA-N 3 2 344.547 3.175 20 0 EGADLP CC1(C)C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)C[C@](C)(C[NH3+])C1 ZINC001169151428 1384115540 /nfs/dbraw/zinc/11/55/40/1384115540.db2.gz JNAJEVCOHCVVDT-QFUCXCTJSA-N 3 2 344.547 3.175 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)CC1 ZINC001169249248 1384127490 /nfs/dbraw/zinc/12/74/90/1384127490.db2.gz GLLBWWJVGNGGTR-USXIJHARSA-N 2 2 335.517 3.088 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)CC1 ZINC001169249248 1384127493 /nfs/dbraw/zinc/12/74/93/1384127493.db2.gz GLLBWWJVGNGGTR-USXIJHARSA-N 2 2 335.517 3.088 20 0 EGADLP O=C(OC1CCC([NH2+]CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC001169269457 1384130494 /nfs/dbraw/zinc/13/04/94/1384130494.db2.gz WQSRLJNUMCIOMA-UHFFFAOYSA-N 2 2 327.428 3.031 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306178 1384134517 /nfs/dbraw/zinc/13/45/17/1384134517.db2.gz WQHTZBNIQDTZER-DCCYDQLOSA-N 2 2 342.483 3.181 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306178 1384134518 /nfs/dbraw/zinc/13/45/18/1384134518.db2.gz WQHTZBNIQDTZER-DCCYDQLOSA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306178 1384134521 /nfs/dbraw/zinc/13/45/21/1384134521.db2.gz WQHTZBNIQDTZER-DCCYDQLOSA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@H]21 ZINC001169306178 1384134523 /nfs/dbraw/zinc/13/45/23/1384134523.db2.gz WQHTZBNIQDTZER-DCCYDQLOSA-N 2 2 342.483 3.181 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170562949 1384342996 /nfs/dbraw/zinc/34/29/96/1384342996.db2.gz GIZVFVPLODJYTD-CRAIPNDOSA-N 2 2 348.462 3.064 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)C1 ZINC001170562949 1384342999 /nfs/dbraw/zinc/34/29/99/1384342999.db2.gz GIZVFVPLODJYTD-CRAIPNDOSA-N 2 2 348.462 3.064 20 0 EGADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170851877 1384398289 /nfs/dbraw/zinc/39/82/89/1384398289.db2.gz UTAFSYUDRGTIQY-SUMWQHHRSA-N 2 2 337.305 3.380 20 0 EGADLP Cc1[nH+]cn([C@@H]2CCc3ccc(Br)cc3C2)c1CC[NH3+] ZINC001170851970 1384398586 /nfs/dbraw/zinc/39/85/86/1384398586.db2.gz WIGGDKULMKNPMJ-OAHLLOKOSA-N 2 2 334.261 3.185 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171301319 1384489590 /nfs/dbraw/zinc/48/95/90/1384489590.db2.gz PUGKPZFTCIJUJI-KGLIPLIRSA-N 2 2 334.891 3.422 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171301319 1384489592 /nfs/dbraw/zinc/48/95/92/1384489592.db2.gz PUGKPZFTCIJUJI-KGLIPLIRSA-N 2 2 334.891 3.422 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359288 1384501951 /nfs/dbraw/zinc/50/19/51/1384501951.db2.gz QIUXYBZIKJQMPZ-USXIJHARSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359288 1384501956 /nfs/dbraw/zinc/50/19/56/1384501956.db2.gz QIUXYBZIKJQMPZ-USXIJHARSA-N 2 2 346.519 3.214 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577295 1384569685 /nfs/dbraw/zinc/56/96/85/1384569685.db2.gz PTLQXKWFLMVFFN-MSOLQXFVSA-N 2 2 348.535 3.290 20 0 EGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCc3cnc(C4CC4)nc3C2)CC1(C)C ZINC001171640302 1384589170 /nfs/dbraw/zinc/58/91/70/1384589170.db2.gz BOOYEFUOPUUBOU-UHFFFAOYSA-N 2 2 328.504 3.364 20 0 EGADLP C[NH+]1C(C)(C)CC([N@H+]2CCc3cnc(C4CC4)nc3C2)CC1(C)C ZINC001171640302 1384589172 /nfs/dbraw/zinc/58/91/72/1384589172.db2.gz BOOYEFUOPUUBOU-UHFFFAOYSA-N 2 2 328.504 3.364 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171785044 1384636309 /nfs/dbraw/zinc/63/63/09/1384636309.db2.gz ZYPVUJFAGQOUBL-AQFXKWCLSA-N 2 2 342.487 3.259 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701722 /nfs/dbraw/zinc/70/17/22/1384701722.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701728 /nfs/dbraw/zinc/70/17/28/1384701728.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701731 /nfs/dbraw/zinc/70/17/31/1384701731.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977919 1384701739 /nfs/dbraw/zinc/70/17/39/1384701739.db2.gz UWUCDDYLCXRHOF-RLLQIKCJSA-N 3 2 329.532 3.359 20 0 EGADLP CC1(C)C[C@H](N2CC([NH+]3CC[C@H](F)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987820 1384705176 /nfs/dbraw/zinc/70/51/76/1384705176.db2.gz KEYCQIKJIBRJSA-RBUKOAKNSA-N 2 2 345.506 3.158 20 0 EGADLP CC1(C)C[C@H](N2CC([NH+]3CC[C@H](F)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987820 1384705181 /nfs/dbraw/zinc/70/51/81/1384705181.db2.gz KEYCQIKJIBRJSA-RBUKOAKNSA-N 2 2 345.506 3.158 20 0 EGADLP CC1(C)C[C@H](N2CC([N@@H+]3CC[C@H](F)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987820 1384705184 /nfs/dbraw/zinc/70/51/84/1384705184.db2.gz KEYCQIKJIBRJSA-RBUKOAKNSA-N 2 2 345.506 3.158 20 0 EGADLP CC1(C)C[C@H](N2CC([N@H+]3CC[C@H](F)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987820 1384705190 /nfs/dbraw/zinc/70/51/90/1384705190.db2.gz KEYCQIKJIBRJSA-RBUKOAKNSA-N 2 2 345.506 3.158 20 0 EGADLP CC(=O)[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081460 1384722212 /nfs/dbraw/zinc/72/22/12/1384722212.db2.gz FVPLDPKYPLPDBV-CGXNFDGLSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081460 1384722214 /nfs/dbraw/zinc/72/22/14/1384722214.db2.gz FVPLDPKYPLPDBV-CGXNFDGLSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081460 1384722215 /nfs/dbraw/zinc/72/22/15/1384722215.db2.gz FVPLDPKYPLPDBV-CGXNFDGLSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172081460 1384722217 /nfs/dbraw/zinc/72/22/17/1384722217.db2.gz FVPLDPKYPLPDBV-CGXNFDGLSA-N 2 2 326.484 3.483 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC001172115569 1384730862 /nfs/dbraw/zinc/73/08/62/1384730862.db2.gz SMOPPQCTVOSLTO-BTTYYORXSA-N 2 2 339.277 3.260 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC001172115569 1384730872 /nfs/dbraw/zinc/73/08/72/1384730872.db2.gz SMOPPQCTVOSLTO-BTTYYORXSA-N 2 2 339.277 3.260 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001172128565 1384735748 /nfs/dbraw/zinc/73/57/48/1384735748.db2.gz SFTNWBPIAIXGQT-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001172128565 1384735752 /nfs/dbraw/zinc/73/57/52/1384735752.db2.gz SFTNWBPIAIXGQT-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cn2)C2CC2)CC1 ZINC001172249852 1384755816 /nfs/dbraw/zinc/75/58/16/1384755816.db2.gz SSAKMAAKROLJHW-GOSISDBHSA-N 2 2 337.895 3.277 20 0 EGADLP C[C@@H]1CC[C@H]([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)C[C@H]1C ZINC001172381213 1384782136 /nfs/dbraw/zinc/78/21/36/1384782136.db2.gz YMYWWSBNVCFMGC-KURKYZTESA-N 2 2 343.519 3.024 20 0 EGADLP Cc1ccccc1C[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317017441 1384782118 /nfs/dbraw/zinc/78/21/18/1384782118.db2.gz DFEQDVRWUGGHCX-HXUWFJFHSA-N 2 2 348.450 3.170 20 0 EGADLP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640491 1384824979 /nfs/dbraw/zinc/82/49/79/1384824979.db2.gz OGRGURVXEQBDKP-BRWVUGGUSA-N 2 2 339.524 3.368 20 0 EGADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001172640491 1384824974 /nfs/dbraw/zinc/82/49/74/1384824974.db2.gz OGRGURVXEQBDKP-BRWVUGGUSA-N 2 2 339.524 3.368 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)CC2 ZINC001172832160 1384860777 /nfs/dbraw/zinc/86/07/77/1384860777.db2.gz LUEOXCDXZCARLX-GOSISDBHSA-N 2 2 348.450 3.143 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)CC2 ZINC001172832160 1384860780 /nfs/dbraw/zinc/86/07/80/1384860780.db2.gz LUEOXCDXZCARLX-GOSISDBHSA-N 2 2 348.450 3.143 20 0 EGADLP CC(C)[N@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172969052 1384892467 /nfs/dbraw/zinc/89/24/67/1384892467.db2.gz VKZMQIRTXPGKHQ-MRXNPFEDSA-N 2 2 341.540 3.437 20 0 EGADLP CC(C)[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172969052 1384892472 /nfs/dbraw/zinc/89/24/72/1384892472.db2.gz VKZMQIRTXPGKHQ-MRXNPFEDSA-N 2 2 341.540 3.437 20 0 EGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCc3ncsc3C2)CC1 ZINC001173123928 1384919457 /nfs/dbraw/zinc/91/94/57/1384919457.db2.gz BDTNDCQYZDEHRN-KKUMJFAQSA-N 2 2 328.485 3.172 20 0 EGADLP COC(=O)CCCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001173441447 1384970765 /nfs/dbraw/zinc/97/07/65/1384970765.db2.gz QKKHAOMMWHYAFI-ICSRJNTNSA-N 2 2 346.515 3.405 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1)CC2 ZINC001173607883 1384987518 /nfs/dbraw/zinc/98/75/18/1384987518.db2.gz RMINZVRRNMQIDP-ZEVUXNIQSA-N 2 2 336.520 3.208 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1)CC2 ZINC001173607883 1384987521 /nfs/dbraw/zinc/98/75/21/1384987521.db2.gz RMINZVRRNMQIDP-ZEVUXNIQSA-N 2 2 336.520 3.208 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]Cc2cccc(F)c2)c(C)[nH+]1 ZINC001317400405 1385115469 /nfs/dbraw/zinc/11/54/69/1385115469.db2.gz JUVGVHOVBHVKLU-CQSZACIVSA-N 2 2 343.446 3.444 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]Cc2cnccc2C)c(C)[nH+]1 ZINC001317402705 1385117016 /nfs/dbraw/zinc/11/70/16/1385117016.db2.gz ZQLKCAKCBVIIIZ-HNNXBMFYSA-N 2 2 340.471 3.008 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001317407329 1385119555 /nfs/dbraw/zinc/11/95/55/1385119555.db2.gz DKAVTYVDSFBPMQ-CVEARBPZSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H]1CCc2cc(N)ccc2[N@@H+]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174816357 1385154075 /nfs/dbraw/zinc/15/40/75/1385154075.db2.gz ZXMYOFJHAXXNQU-INIZCTEOSA-N 2 2 336.483 3.493 20 0 EGADLP C[C@H]1CCc2cc(N)ccc2[N@H+]1c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174816357 1385154080 /nfs/dbraw/zinc/15/40/80/1385154080.db2.gz ZXMYOFJHAXXNQU-INIZCTEOSA-N 2 2 336.483 3.493 20 0 EGADLP CCC(CC)C[N@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317478439 1385174635 /nfs/dbraw/zinc/17/46/35/1385174635.db2.gz KQOXEZMGNJCMLL-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP CCC(CC)C[N@@H+](CC)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317478439 1385174637 /nfs/dbraw/zinc/17/46/37/1385174637.db2.gz KQOXEZMGNJCMLL-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175208356 1385220159 /nfs/dbraw/zinc/22/01/59/1385220159.db2.gz CZWFZOXXLVGBBV-CVEARBPZSA-N 2 2 334.508 3.284 20 0 EGADLP CN(C)c1ccc(Nc2ccc(OC3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC001175344829 1385259726 /nfs/dbraw/zinc/25/97/26/1385259726.db2.gz IYUYAZWMWKTLJL-UHFFFAOYSA-N 2 2 326.444 3.364 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001175628952 1385356242 /nfs/dbraw/zinc/35/62/42/1385356242.db2.gz HVCRAXUJRDMOHI-SJORKVTESA-N 2 2 342.487 3.053 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001175628952 1385356245 /nfs/dbraw/zinc/35/62/45/1385356245.db2.gz HVCRAXUJRDMOHI-SJORKVTESA-N 2 2 342.487 3.053 20 0 EGADLP CCCc1cc[nH+]c(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)c1 ZINC001175824400 1385414911 /nfs/dbraw/zinc/41/49/11/1385414911.db2.gz AJUIMBSLKIBUGK-UHFFFAOYSA-N 2 2 340.471 3.459 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(C)c1 ZINC001175881596 1385428826 /nfs/dbraw/zinc/42/88/26/1385428826.db2.gz RJOKWIOSNGQJCG-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001175881324 1385428953 /nfs/dbraw/zinc/42/89/53/1385428953.db2.gz OBEOIMXIDJMFSH-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175881875 1385429092 /nfs/dbraw/zinc/42/90/92/1385429092.db2.gz YTLSPIINQZDODM-SJORKVTESA-N 2 2 342.487 3.286 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176165240 1385501011 /nfs/dbraw/zinc/50/10/11/1385501011.db2.gz KFAJZEBMVKWUGE-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1cn2c(cccc2Nc2ccc(OCCC[NH+](C)C)nc2)[nH+]1 ZINC001176352811 1385560982 /nfs/dbraw/zinc/56/09/82/1385560982.db2.gz ZTPPFYRDYUNHJU-UHFFFAOYSA-N 2 2 325.416 3.112 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001176828849 1385715523 /nfs/dbraw/zinc/71/55/23/1385715523.db2.gz FYCKRSNRVPCJKO-CVEARBPZSA-N 2 2 346.450 3.048 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177301444 1385903723 /nfs/dbraw/zinc/90/37/23/1385903723.db2.gz YMSDQDLITVMPCK-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]c[nH+]c1C ZINC001177468556 1385968314 /nfs/dbraw/zinc/96/83/14/1385968314.db2.gz FWOHUYDLKYMLJI-UHFFFAOYSA-N 2 2 346.519 3.225 20 0 EGADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001319714127 1386265051 /nfs/dbraw/zinc/26/50/51/1386265051.db2.gz YNXQQHFGCUIJGH-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cccc(C[NH2+]CCCCCCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001178649672 1386269045 /nfs/dbraw/zinc/26/90/45/1386269045.db2.gz UHHSOHXKPRNYHA-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP Cc1cccc(C[NH2+]CCCCCCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001178649672 1386269046 /nfs/dbraw/zinc/26/90/46/1386269046.db2.gz UHHSOHXKPRNYHA-UHFFFAOYSA-N 2 2 342.487 3.117 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752390 1386294025 /nfs/dbraw/zinc/29/40/25/1386294025.db2.gz PEWKLTOAPQIHKP-KZNAEPCWSA-N 2 2 348.535 3.462 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752390 1386294032 /nfs/dbraw/zinc/29/40/32/1386294032.db2.gz PEWKLTOAPQIHKP-KZNAEPCWSA-N 2 2 348.535 3.462 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808197 1386312076 /nfs/dbraw/zinc/31/20/76/1386312076.db2.gz BYMZVWPFJKFBHI-INIZCTEOSA-N 2 2 336.524 3.239 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880662 1386337801 /nfs/dbraw/zinc/33/78/01/1386337801.db2.gz NYIZIAPSAGZJQD-DOTOQJQBSA-N 2 2 348.535 3.135 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880662 1386337807 /nfs/dbraw/zinc/33/78/07/1386337807.db2.gz NYIZIAPSAGZJQD-DOTOQJQBSA-N 2 2 348.535 3.135 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2F)[nH+]1 ZINC001320056262 1386480420 /nfs/dbraw/zinc/48/04/20/1386480420.db2.gz RJRYZYVUHUHLPJ-MAUKXSAKSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2F)[nH+]1 ZINC001320056262 1386480422 /nfs/dbraw/zinc/48/04/22/1386480422.db2.gz RJRYZYVUHUHLPJ-MAUKXSAKSA-N 2 2 329.419 3.139 20 0 EGADLP CC1(C)CCC(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001179689526 1386554193 /nfs/dbraw/zinc/55/41/93/1386554193.db2.gz FYZXUNDLMBSMHG-UHFFFAOYSA-N 2 2 348.535 3.435 20 0 EGADLP CC[NH2+]C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCC[C@H]1C ZINC001698658127 1406308969 /nfs/dbraw/zinc/30/89/69/1406308969.db2.gz CAUIRIIVBCWCRH-UZLBHIALSA-N 2 2 340.471 3.161 20 0 EGADLP Cc1[nH+]ccn1CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001320557864 1386649667 /nfs/dbraw/zinc/64/96/67/1386649667.db2.gz GMUZDVZLZFLCAA-IBGZPJMESA-N 2 2 341.455 3.098 20 0 EGADLP Cc1[nH+]ccn1CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001320557864 1386649673 /nfs/dbraw/zinc/64/96/73/1386649673.db2.gz GMUZDVZLZFLCAA-IBGZPJMESA-N 2 2 341.455 3.098 20 0 EGADLP CC[C@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001180469600 1386806940 /nfs/dbraw/zinc/80/69/40/1386806940.db2.gz AWLTYNUZKKAMOX-IBGZPJMESA-N 2 2 342.487 3.301 20 0 EGADLP CC[C@@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001180469604 1386807186 /nfs/dbraw/zinc/80/71/86/1386807186.db2.gz AWLTYNUZKKAMOX-LJQANCHMSA-N 2 2 342.487 3.301 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]Cc1ccccc1Cl ZINC001180470428 1386807606 /nfs/dbraw/zinc/80/76/06/1386807606.db2.gz LUZYFOGXVMMDGL-UHFFFAOYSA-N 2 2 348.878 3.003 20 0 EGADLP Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321895313 1387005219 /nfs/dbraw/zinc/00/52/19/1387005219.db2.gz DSORHEVMYSRTKV-HNNXBMFYSA-N 2 2 336.439 3.088 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181688498 1387038826 /nfs/dbraw/zinc/03/88/26/1387038826.db2.gz QFEZWMKGUQZEIQ-SQGPQFPESA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181688498 1387038829 /nfs/dbraw/zinc/03/88/29/1387038829.db2.gz QFEZWMKGUQZEIQ-SQGPQFPESA-N 2 2 348.535 3.099 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001336782185 1389168213 /nfs/dbraw/zinc/16/82/13/1389168213.db2.gz YFLCRWPLRJZGTD-QZTJIDSGSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001336782185 1389168216 /nfs/dbraw/zinc/16/82/16/1389168216.db2.gz YFLCRWPLRJZGTD-QZTJIDSGSA-N 2 2 333.451 3.069 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H](C)c1ccccc1 ZINC001331505155 1389773682 /nfs/dbraw/zinc/77/36/82/1389773682.db2.gz SNDZFHPNBKXWFE-HOTGVXAUSA-N 2 2 336.439 3.146 20 0 EGADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+][C@@H](C)c1ccccc1 ZINC001331505154 1389773877 /nfs/dbraw/zinc/77/38/77/1389773877.db2.gz SNDZFHPNBKXWFE-CVEARBPZSA-N 2 2 336.439 3.146 20 0 EGADLP C[C@@H](CC[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F)[NH+](C)C ZINC001334376755 1390527196 /nfs/dbraw/zinc/52/71/96/1390527196.db2.gz ZTPNKPUESFXLGM-JTQLQIEISA-N 2 2 338.345 3.319 20 0 EGADLP C[C@H](C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC001335395248 1390679186 /nfs/dbraw/zinc/67/91/86/1390679186.db2.gz RWVYEVYXOIIGES-IAQYHMDHSA-N 2 2 328.243 3.149 20 0 EGADLP Cc1[nH+]ccn1CCCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001345226311 1390850105 /nfs/dbraw/zinc/85/01/05/1390850105.db2.gz OWZXYRLTHMKSJB-UHFFFAOYSA-N 2 2 345.512 3.347 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001479371715 1392227988 /nfs/dbraw/zinc/22/79/88/1392227988.db2.gz VZPIOHUODPOOMS-ZMMAXQRCSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001479371715 1392227991 /nfs/dbraw/zinc/22/79/91/1392227991.db2.gz VZPIOHUODPOOMS-ZMMAXQRCSA-N 2 2 346.519 3.043 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001479832127 1392418756 /nfs/dbraw/zinc/41/87/56/1392418756.db2.gz GNURVCALOOGTDG-LPHOPBHVSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001480362340 1392706798 /nfs/dbraw/zinc/70/67/98/1392706798.db2.gz FZRPYZMFHDKZHX-MOPGFXCFSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001481245521 1393153053 /nfs/dbraw/zinc/15/30/53/1393153053.db2.gz CHPNJZDKUJLZSL-OAHLLOKOSA-N 2 2 336.439 3.294 20 0 EGADLP CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698931528 1406668566 /nfs/dbraw/zinc/66/85/66/1406668566.db2.gz MHHDHHOGCMTGLW-HUUCEWRRSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H]([NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001490687685 1394295546 /nfs/dbraw/zinc/29/55/46/1394295546.db2.gz TWHJFDXHFAPAEK-QAPCUYQASA-N 2 2 348.450 3.194 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001481451902 1394307410 /nfs/dbraw/zinc/30/74/10/1394307410.db2.gz SRHFJPJGTPQCCJ-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001481451902 1394307413 /nfs/dbraw/zinc/30/74/13/1394307413.db2.gz SRHFJPJGTPQCCJ-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001491118931 1394437262 /nfs/dbraw/zinc/43/72/62/1394437262.db2.gz YVWOLYWGXJZGOW-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001491118931 1394437264 /nfs/dbraw/zinc/43/72/64/1394437264.db2.gz YVWOLYWGXJZGOW-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP CC1CC(C[NH2+]C[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001481934184 1394602727 /nfs/dbraw/zinc/60/27/27/1394602727.db2.gz XLZKDMOCFZPKDH-DHRDCHLVSA-N 2 2 340.471 3.097 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001482100906 1394747258 /nfs/dbraw/zinc/74/72/58/1394747258.db2.gz JMRJADFVKSNEFR-JKSUJKDBSA-N 2 2 344.503 3.280 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001505407132 1396291707 /nfs/dbraw/zinc/29/17/07/1396291707.db2.gz XARBJYQCUIVQEM-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699010200 1406837129 /nfs/dbraw/zinc/83/71/29/1406837129.db2.gz UISKRDMZUANUIR-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001699010200 1406837139 /nfs/dbraw/zinc/83/71/39/1406837139.db2.gz UISKRDMZUANUIR-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699010200 1406837140 /nfs/dbraw/zinc/83/71/40/1406837140.db2.gz UISKRDMZUANUIR-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001699010200 1406837148 /nfs/dbraw/zinc/83/71/48/1406837148.db2.gz UISKRDMZUANUIR-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001690030085 1404269025 /nfs/dbraw/zinc/26/90/25/1404269025.db2.gz SIVIHCYDNIHUCH-UHFFFAOYSA-N 2 2 348.535 3.102 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001690195774 1404404325 /nfs/dbraw/zinc/40/43/25/1404404325.db2.gz YVRZOBJJAMNPAY-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001690195774 1404404326 /nfs/dbraw/zinc/40/43/26/1404404326.db2.gz YVRZOBJJAMNPAY-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731775930 1427892917 /nfs/dbraw/zinc/89/29/17/1427892917.db2.gz LUJSEVVOHBVHPX-WEVVVXLNSA-N 2 2 348.450 3.328 20 0 EGADLP C[N@H+](CC/C=C/c1ccccc1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731775930 1427892920 /nfs/dbraw/zinc/89/29/20/1427892920.db2.gz LUJSEVVOHBVHPX-WEVVVXLNSA-N 2 2 348.450 3.328 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001732253653 1428495049 /nfs/dbraw/zinc/49/50/49/1428495049.db2.gz LXNVBMPWZTWMAC-HXUWFJFHSA-N 2 2 346.519 3.106 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCC2CCCCCC2)CCC1 ZINC001700136668 1413553785 /nfs/dbraw/zinc/55/37/85/1413553785.db2.gz IBNMDUPXTMBKAI-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001700447733 1414026673 /nfs/dbraw/zinc/02/66/73/1414026673.db2.gz ZUIKDYLGFGSIHJ-MRXNPFEDSA-N 2 2 342.487 3.096 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CC(C)C)C(C)(C)C)ccn12 ZINC001700985487 1414627359 /nfs/dbraw/zinc/62/73/59/1414627359.db2.gz OTGTZUISPIHUML-MRXNPFEDSA-N 2 2 330.476 3.033 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@H+](C)CCCF)C2)c(C)[nH+]1 ZINC001713132945 1417708250 /nfs/dbraw/zinc/70/82/50/1417708250.db2.gz JTRWHUXQAKKNKM-QGZVFWFLSA-N 2 2 335.467 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@@H+](C)CCCF)C2)c(C)[nH+]1 ZINC001713132945 1417708255 /nfs/dbraw/zinc/70/82/55/1417708255.db2.gz JTRWHUXQAKKNKM-QGZVFWFLSA-N 2 2 335.467 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@@H+](C)CCCF)C2)c(C)[nH+]1 ZINC001713132944 1417708406 /nfs/dbraw/zinc/70/84/06/1417708406.db2.gz JTRWHUXQAKKNKM-KRWDZBQOSA-N 2 2 335.467 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[N@H+](C)CCCF)C2)c(C)[nH+]1 ZINC001713132944 1417708403 /nfs/dbraw/zinc/70/84/03/1417708403.db2.gz JTRWHUXQAKKNKM-KRWDZBQOSA-N 2 2 335.467 3.150 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001713320512 1417945050 /nfs/dbraw/zinc/94/50/50/1417945050.db2.gz VWSYQVKVYQGXSC-HNNXBMFYSA-N 2 2 336.439 3.088 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001713836841 1418635025 /nfs/dbraw/zinc/63/50/25/1418635025.db2.gz UKCGAORNGHZBNX-INIZCTEOSA-N 2 2 343.515 3.013 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714156107 1418966364 /nfs/dbraw/zinc/96/63/64/1418966364.db2.gz MDFPQYONJNKTBX-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714156107 1418966365 /nfs/dbraw/zinc/96/63/65/1418966365.db2.gz MDFPQYONJNKTBX-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCC1CCCC1 ZINC001715055639 1419796248 /nfs/dbraw/zinc/79/62/48/1419796248.db2.gz IBAAFVJRSOHOTM-SFHVURJKSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@H](C)c1ccccc1C)C(C)C ZINC001715502787 1420185896 /nfs/dbraw/zinc/18/58/96/1420185896.db2.gz BOMUVFVYIALDFE-DNVCBOLYSA-N 2 2 342.487 3.061 20 0 EGADLP C[C@H](CC[NH2+][C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715657712 1420281418 /nfs/dbraw/zinc/28/14/18/1420281418.db2.gz INDGEYHVEPOWTO-CABCVRRESA-N 2 2 336.439 3.422 20 0 EGADLP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001716037242 1420497054 /nfs/dbraw/zinc/49/70/54/1420497054.db2.gz IHFCJNPATVYUOW-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001716037242 1420497055 /nfs/dbraw/zinc/49/70/55/1420497055.db2.gz IHFCJNPATVYUOW-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001716062413 1420522797 /nfs/dbraw/zinc/52/27/97/1420522797.db2.gz VBLOVRKJQKJBAC-IEBWSBKVSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001716062413 1420522799 /nfs/dbraw/zinc/52/27/99/1420522799.db2.gz VBLOVRKJQKJBAC-IEBWSBKVSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001716448086 1420665320 /nfs/dbraw/zinc/66/53/20/1420665320.db2.gz VHKNRIAFRTYENV-AOCRQIFASA-N 2 2 348.535 3.220 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001716968309 1421056026 /nfs/dbraw/zinc/05/60/26/1421056026.db2.gz ZGSHRCPPXMADIP-WBVHZDCISA-N 2 2 342.487 3.211 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716974787 1421058755 /nfs/dbraw/zinc/05/87/55/1421058755.db2.gz FLLAVXOCULIRTL-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001717116396 1421120395 /nfs/dbraw/zinc/12/03/95/1421120395.db2.gz UFRAPXDWWLUSKM-YPULQFSKSA-N 2 2 346.862 3.062 20 0 EGADLP C[C@@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717116396 1421120398 /nfs/dbraw/zinc/12/03/98/1421120398.db2.gz UFRAPXDWWLUSKM-YPULQFSKSA-N 2 2 346.862 3.062 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330969 1421266117 /nfs/dbraw/zinc/26/61/17/1421266117.db2.gz CHYYRKVBQQWLQV-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330969 1421266119 /nfs/dbraw/zinc/26/61/19/1421266119.db2.gz CHYYRKVBQQWLQV-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330969 1421266122 /nfs/dbraw/zinc/26/61/22/1421266122.db2.gz CHYYRKVBQQWLQV-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330969 1421266125 /nfs/dbraw/zinc/26/61/25/1421266125.db2.gz CHYYRKVBQQWLQV-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001725254846 1425877786 /nfs/dbraw/zinc/87/77/86/1425877786.db2.gz JBVUXRBLPJAACS-HOTGVXAUSA-N 2 2 342.487 3.067 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2C)c(C)[nH+]1 ZINC001731606369 1427651726 /nfs/dbraw/zinc/65/17/26/1427651726.db2.gz PODFENORTWMACF-MRXNPFEDSA-N 2 2 325.456 3.223 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001734328182 1438053083 /nfs/dbraw/zinc/05/30/83/1438053083.db2.gz ILVLFGKROHSMDA-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001734328182 1438053084 /nfs/dbraw/zinc/05/30/84/1438053084.db2.gz ILVLFGKROHSMDA-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001734333002 1438055844 /nfs/dbraw/zinc/05/58/44/1438055844.db2.gz CHDJJOUCBJFZEY-LBPRGKRZSA-N 2 2 331.382 3.009 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001751988190 1440130883 /nfs/dbraw/zinc/13/08/83/1440130883.db2.gz LVJLQBNWZSAILB-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001751988190 1440130884 /nfs/dbraw/zinc/13/08/84/1440130884.db2.gz LVJLQBNWZSAILB-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001751988190 1440130885 /nfs/dbraw/zinc/13/08/85/1440130885.db2.gz LVJLQBNWZSAILB-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001751988190 1440130887 /nfs/dbraw/zinc/13/08/87/1440130887.db2.gz LVJLQBNWZSAILB-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752668348 1440198727 /nfs/dbraw/zinc/19/87/27/1440198727.db2.gz AUFOLDOZXPHMPV-MHORFTMASA-N 2 2 340.471 3.141 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001753267510 1440345134 /nfs/dbraw/zinc/34/51/34/1440345134.db2.gz VICJYOKZVRCMLV-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001753280898 1440347378 /nfs/dbraw/zinc/34/73/78/1440347378.db2.gz OTKYILHKISHPMD-WLMCBFPDSA-N 2 2 346.519 3.224 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329505 1440368484 /nfs/dbraw/zinc/36/84/84/1440368484.db2.gz CHQIQHQQQRWRSJ-RDTXWAMCSA-N 2 2 331.504 3.495 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001753329505 1440368485 /nfs/dbraw/zinc/36/84/85/1440368485.db2.gz CHQIQHQQQRWRSJ-RDTXWAMCSA-N 2 2 331.504 3.495 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352371 1440378542 /nfs/dbraw/zinc/37/85/42/1440378542.db2.gz MKMISIWWKGQUPL-MOPGFXCFSA-N 2 2 346.519 3.217 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352371 1440378543 /nfs/dbraw/zinc/37/85/43/1440378543.db2.gz MKMISIWWKGQUPL-MOPGFXCFSA-N 2 2 346.519 3.217 20 0 EGADLP CCCCC[N@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001753364427 1440384351 /nfs/dbraw/zinc/38/43/51/1440384351.db2.gz CDJCBGNTBZMVLX-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP CCCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001753364427 1440384352 /nfs/dbraw/zinc/38/43/52/1440384352.db2.gz CDJCBGNTBZMVLX-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001753442683 1440402159 /nfs/dbraw/zinc/40/21/59/1440402159.db2.gz IJTSNBOVTQYDPL-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001753442683 1440402160 /nfs/dbraw/zinc/40/21/60/1440402160.db2.gz IJTSNBOVTQYDPL-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001753461734 1440411278 /nfs/dbraw/zinc/41/12/78/1440411278.db2.gz MXLCJQKNQYMKDU-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001753461734 1440411279 /nfs/dbraw/zinc/41/12/79/1440411279.db2.gz MXLCJQKNQYMKDU-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H](C)CC(C)C ZINC001753477333 1440415576 /nfs/dbraw/zinc/41/55/76/1440415576.db2.gz DRVBZPQAOOZPHD-GOEBONIOSA-N 2 2 330.476 3.343 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001753604076 1440447676 /nfs/dbraw/zinc/44/76/76/1440447676.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 2 344.503 3.013 20 0 EGADLP CC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001753604076 1440447677 /nfs/dbraw/zinc/44/76/77/1440447677.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 2 344.503 3.013 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001753604076 1440447678 /nfs/dbraw/zinc/44/76/78/1440447678.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 2 344.503 3.013 20 0 EGADLP CC/C=C/CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001753604076 1440447679 /nfs/dbraw/zinc/44/76/79/1440447679.db2.gz UFAILJQHQYKZAQ-ONEGZZNKSA-N 2 2 344.503 3.013 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001753618273 1440450079 /nfs/dbraw/zinc/45/00/79/1440450079.db2.gz IHZDTUUIDTVLCI-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001753618273 1440450080 /nfs/dbraw/zinc/45/00/80/1440450080.db2.gz IHZDTUUIDTVLCI-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001753789127 1440488652 /nfs/dbraw/zinc/48/86/52/1440488652.db2.gz YASPOCCLNPZLLY-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1CC ZINC001754463455 1440603963 /nfs/dbraw/zinc/60/39/63/1440603963.db2.gz CREGMIXUYVVFIB-SJLPKXTDSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674259 1440659166 /nfs/dbraw/zinc/65/91/66/1440659166.db2.gz QLCMERSMZIQHJQ-FQEVSTJZSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674259 1440659167 /nfs/dbraw/zinc/65/91/67/1440659167.db2.gz QLCMERSMZIQHJQ-FQEVSTJZSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674259 1440659168 /nfs/dbraw/zinc/65/91/68/1440659168.db2.gz QLCMERSMZIQHJQ-FQEVSTJZSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674259 1440659169 /nfs/dbraw/zinc/65/91/69/1440659169.db2.gz QLCMERSMZIQHJQ-FQEVSTJZSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH+]1CCC(C)(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001754718913 1440672495 /nfs/dbraw/zinc/67/24/95/1440672495.db2.gz AKUHVBSERSTZOE-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754726768 1440676680 /nfs/dbraw/zinc/67/66/80/1440676680.db2.gz AYDTWWDVNBCACI-HXUWFJFHSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754726768 1440676681 /nfs/dbraw/zinc/67/66/81/1440676681.db2.gz AYDTWWDVNBCACI-HXUWFJFHSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754726768 1440676682 /nfs/dbraw/zinc/67/66/82/1440676682.db2.gz 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CCC[N@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754945602 1440712686 /nfs/dbraw/zinc/71/26/86/1440712686.db2.gz CBUAXQAQJNEQNN-UHFFFAOYSA-N 2 2 336.439 3.335 20 0 EGADLP CCC[N@@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754945602 1440712687 /nfs/dbraw/zinc/71/26/87/1440712687.db2.gz CBUAXQAQJNEQNN-UHFFFAOYSA-N 2 2 336.439 3.335 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755045893 1440740761 /nfs/dbraw/zinc/74/07/61/1440740761.db2.gz MFZBRXGHJAVISK-ZWKOTPCHSA-N 2 2 342.487 3.376 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755045893 1440740762 /nfs/dbraw/zinc/74/07/62/1440740762.db2.gz MFZBRXGHJAVISK-ZWKOTPCHSA-N 2 2 342.487 3.376 20 0 EGADLP CCCCCC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001755108908 1440754048 /nfs/dbraw/zinc/75/40/48/1440754048.db2.gz NJRVAOLOHHHJEY-YJBOKZPZSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC(C[NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001755214128 1440783759 /nfs/dbraw/zinc/78/37/59/1440783759.db2.gz JFPBHEMGIZZTEG-UHFFFAOYSA-N 2 2 335.467 3.245 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)C1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001755274645 1440798644 /nfs/dbraw/zinc/79/86/44/1440798644.db2.gz CRUAEJWUSGYEPQ-UHFFFAOYSA-N 2 2 348.535 3.459 20 0 EGADLP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001755281266 1440800684 /nfs/dbraw/zinc/80/06/84/1440800684.db2.gz DWMQHGLDEFMADU-UHFFFAOYSA-N 2 2 328.460 3.051 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307397 1440811611 /nfs/dbraw/zinc/81/16/11/1440811611.db2.gz DVYHRLRMJWWLSR-MWWKQMNYSA-N 2 2 328.460 3.131 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307397 1440811612 /nfs/dbraw/zinc/81/16/12/1440811612.db2.gz DVYHRLRMJWWLSR-MWWKQMNYSA-N 2 2 328.460 3.131 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001755387954 1440841094 /nfs/dbraw/zinc/84/10/94/1440841094.db2.gz USTZIVVUEJISQI-SJORKVTESA-N 2 2 346.519 3.241 20 0 EGADLP CC/C=C\CC[N@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755530439 1440867191 /nfs/dbraw/zinc/86/71/91/1440867191.db2.gz DHIJAPJRHDFAOT-PLNGDYQASA-N 2 2 340.471 3.456 20 0 EGADLP CC/C=C\CC[N@@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755530439 1440867192 /nfs/dbraw/zinc/86/71/92/1440867192.db2.gz DHIJAPJRHDFAOT-PLNGDYQASA-N 2 2 340.471 3.456 20 0 EGADLP CCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164629901 719086945 /nfs/dbraw/zinc/08/69/45/719086945.db2.gz UCSPCAAPORNWDB-AZUAARDMSA-N 2 2 336.483 3.448 20 0 EGADLP CCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164629901 719086947 /nfs/dbraw/zinc/08/69/47/719086947.db2.gz UCSPCAAPORNWDB-AZUAARDMSA-N 2 2 336.483 3.448 20 0 EGADLP Cc1ccc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)[nH+]c1C ZINC001164648349 719309859 /nfs/dbraw/zinc/30/98/59/719309859.db2.gz IKDFPSOTFICMIP-UHFFFAOYSA-N 2 2 327.476 3.100 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@]3(C)OCCc4sccc43)c[nH+]c12 ZINC000368090559 168310143 /nfs/dbraw/zinc/31/01/43/168310143.db2.gz SGIGALQIQPVBDC-GOSISDBHSA-N 2 2 327.453 3.282 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261667507 282079571 /nfs/dbraw/zinc/07/95/71/282079571.db2.gz LIJLHIPJESZTJS-RCCFBDPRSA-N 3 2 326.488 3.245 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000368997642 168389757 /nfs/dbraw/zinc/38/97/57/168389757.db2.gz GKWSBSMZUOAXAA-SFHVURJKSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000368997642 168389759 /nfs/dbraw/zinc/38/97/59/168389759.db2.gz GKWSBSMZUOAXAA-SFHVURJKSA-N 2 2 335.455 3.294 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000361308730 295735735 /nfs/dbraw/zinc/73/57/35/295735735.db2.gz MBFXEHQSWQHISY-IRXDYDNUSA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000183915998 235260101 /nfs/dbraw/zinc/26/01/01/235260101.db2.gz LCBVMOSKRCFZFZ-CVEARBPZSA-N 2 2 347.503 3.317 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000267537029 201222846 /nfs/dbraw/zinc/22/28/46/201222846.db2.gz WFQDAFQHDFMDFU-GOEBONIOSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000267537029 201222848 /nfs/dbraw/zinc/22/28/48/201222848.db2.gz WFQDAFQHDFMDFU-GOEBONIOSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944204 201229605 /nfs/dbraw/zinc/22/96/05/201229605.db2.gz UBAXBVKPLNKPHB-WIYYLYMNSA-N 2 2 337.511 3.042 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944204 201229608 /nfs/dbraw/zinc/22/96/08/201229608.db2.gz UBAXBVKPLNKPHB-WIYYLYMNSA-N 2 2 337.511 3.042 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272562856 201252831 /nfs/dbraw/zinc/25/28/31/201252831.db2.gz UMRJHNFZMWQMSX-NVXWUHKLSA-N 2 2 340.496 3.396 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccsc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562856 201252834 /nfs/dbraw/zinc/25/28/34/201252834.db2.gz UMRJHNFZMWQMSX-NVXWUHKLSA-N 2 2 340.496 3.396 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274865299 201271530 /nfs/dbraw/zinc/27/15/30/201271530.db2.gz VLJOXSCDZPNHJC-JPLJXNOCSA-N 2 2 345.531 3.180 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274865299 201271533 /nfs/dbraw/zinc/27/15/33/201271533.db2.gz VLJOXSCDZPNHJC-JPLJXNOCSA-N 2 2 345.531 3.180 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000287775206 201334418 /nfs/dbraw/zinc/33/44/18/201334418.db2.gz RUOJAIDGSYAFBE-BSWAZPDLSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000287775206 201334420 /nfs/dbraw/zinc/33/44/20/201334420.db2.gz RUOJAIDGSYAFBE-BSWAZPDLSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293918673 201344125 /nfs/dbraw/zinc/34/41/25/201344125.db2.gz XFZAULUMFLGRGO-KOLCDFICSA-N 2 2 326.263 3.373 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000156051183 201398568 /nfs/dbraw/zinc/39/85/68/201398568.db2.gz VLFKZDZKEDDZQJ-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000156051183 201398573 /nfs/dbraw/zinc/39/85/73/201398573.db2.gz VLFKZDZKEDDZQJ-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246378845 243239612 /nfs/dbraw/zinc/23/96/12/243239612.db2.gz NGAIFYKFSVTFEJ-CVEARBPZSA-N 2 2 331.504 3.195 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246378845 243239618 /nfs/dbraw/zinc/23/96/18/243239618.db2.gz NGAIFYKFSVTFEJ-CVEARBPZSA-N 2 2 331.504 3.195 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1F ZINC000246317631 243230202 /nfs/dbraw/zinc/23/02/02/243230202.db2.gz FBNAJACKTJTUEN-KGLIPLIRSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)n2)cc1F ZINC000246317631 243230209 /nfs/dbraw/zinc/23/02/09/243230209.db2.gz FBNAJACKTJTUEN-KGLIPLIRSA-N 2 2 332.423 3.129 20 0 EGADLP C[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)n1cc[nH+]c1 ZINC000071890848 203138659 /nfs/dbraw/zinc/13/86/59/203138659.db2.gz PKBNYKWNVJJBMK-DLBZAZTESA-N 2 2 340.471 3.224 20 0 EGADLP CC(C)c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000071920174 203150362 /nfs/dbraw/zinc/15/03/62/203150362.db2.gz PMLHPXIVIMYATE-UHFFFAOYSA-N 2 2 346.519 3.300 20 0 EGADLP CC(C)c1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000071920174 203150366 /nfs/dbraw/zinc/15/03/66/203150366.db2.gz PMLHPXIVIMYATE-UHFFFAOYSA-N 2 2 346.519 3.300 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859980 203249087 /nfs/dbraw/zinc/24/90/87/203249087.db2.gz ALDXVDWFZIEYAQ-LJQANCHMSA-N 2 2 343.515 3.086 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859980 203249090 /nfs/dbraw/zinc/24/90/90/203249090.db2.gz ALDXVDWFZIEYAQ-LJQANCHMSA-N 2 2 343.515 3.086 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859980 203249092 /nfs/dbraw/zinc/24/90/92/203249092.db2.gz ALDXVDWFZIEYAQ-LJQANCHMSA-N 2 2 343.515 3.086 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859980 203249095 /nfs/dbraw/zinc/24/90/95/203249095.db2.gz ALDXVDWFZIEYAQ-LJQANCHMSA-N 2 2 343.515 3.086 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859753 203249302 /nfs/dbraw/zinc/24/93/02/203249302.db2.gz IHMYMNLVRZOFNM-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859753 203249304 /nfs/dbraw/zinc/24/93/04/203249304.db2.gz IHMYMNLVRZOFNM-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859753 203249306 /nfs/dbraw/zinc/24/93/06/203249306.db2.gz IHMYMNLVRZOFNM-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000072859753 203249309 /nfs/dbraw/zinc/24/93/09/203249309.db2.gz IHMYMNLVRZOFNM-GJZGRUSLSA-N 2 2 337.895 3.249 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000105897559 204178253 /nfs/dbraw/zinc/17/82/53/204178253.db2.gz OROJBBHMVWERCH-YOEHRIQHSA-N 2 2 333.863 3.469 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000105897559 204178257 /nfs/dbraw/zinc/17/82/57/204178257.db2.gz OROJBBHMVWERCH-YOEHRIQHSA-N 2 2 333.863 3.469 20 0 EGADLP c1cn(C2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)c[nH+]1 ZINC000109796895 204293500 /nfs/dbraw/zinc/29/35/00/204293500.db2.gz YKMNJYKHOXFULX-UHFFFAOYSA-N 2 2 347.466 3.395 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000110056921 204301132 /nfs/dbraw/zinc/30/11/32/204301132.db2.gz FJQMEXLSKSFLGF-QGZVFWFLSA-N 2 2 326.444 3.088 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000110056921 204301137 /nfs/dbraw/zinc/30/11/37/204301137.db2.gz FJQMEXLSKSFLGF-QGZVFWFLSA-N 2 2 326.444 3.088 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000130726701 205253928 /nfs/dbraw/zinc/25/39/28/205253928.db2.gz WEFIPGWMGPFTTO-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000130726701 205253930 /nfs/dbraw/zinc/25/39/30/205253930.db2.gz WEFIPGWMGPFTTO-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157484851 206139092 /nfs/dbraw/zinc/13/90/92/206139092.db2.gz PHEIFODCYVPLOG-IBGZPJMESA-N 2 2 329.488 3.192 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157484851 206139097 /nfs/dbraw/zinc/13/90/97/206139097.db2.gz PHEIFODCYVPLOG-IBGZPJMESA-N 2 2 329.488 3.192 20 0 EGADLP c1ccc(C[NH+]2CCCC2)c(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000264316028 246341292 /nfs/dbraw/zinc/34/12/92/246341292.db2.gz FHKBWPSDZWOZGG-UHFFFAOYSA-N 2 2 337.471 3.285 20 0 EGADLP c1ccc(C[NH+]2CCCC2)c(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000264316028 246341298 /nfs/dbraw/zinc/34/12/98/246341298.db2.gz FHKBWPSDZWOZGG-UHFFFAOYSA-N 2 2 337.471 3.285 20 0 EGADLP C[C@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[N@H+](C)C1CC1 ZINC000264915932 247041297 /nfs/dbraw/zinc/04/12/97/247041297.db2.gz PTJPPHLWLIXDDP-CQSZACIVSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[N@@H+](C)C1CC1 ZINC000264915932 247041302 /nfs/dbraw/zinc/04/13/02/247041302.db2.gz PTJPPHLWLIXDDP-CQSZACIVSA-N 2 2 325.412 3.086 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377265489 169004708 /nfs/dbraw/zinc/00/47/08/169004708.db2.gz GCNJHJUGGXYFAS-QGZVFWFLSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377265489 169004711 /nfs/dbraw/zinc/00/47/11/169004711.db2.gz GCNJHJUGGXYFAS-QGZVFWFLSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377337434 169012647 /nfs/dbraw/zinc/01/26/47/169012647.db2.gz MVABWAWBBKCCBR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377337434 169012648 /nfs/dbraw/zinc/01/26/48/169012648.db2.gz MVABWAWBBKCCBR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377337434 169012650 /nfs/dbraw/zinc/01/26/50/169012650.db2.gz MVABWAWBBKCCBR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000377337434 169012652 /nfs/dbraw/zinc/01/26/52/169012652.db2.gz MVABWAWBBKCCBR-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000377564331 169041926 /nfs/dbraw/zinc/04/19/26/169041926.db2.gz NQWWWUWEXGHDDP-INIZCTEOSA-N 2 2 338.386 3.192 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000377618859 169049205 /nfs/dbraw/zinc/04/92/05/169049205.db2.gz UHNQYERNONSUKU-UHFFFAOYSA-N 2 2 329.488 3.047 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250830 169092146 /nfs/dbraw/zinc/09/21/46/169092146.db2.gz UTEBJUYXNVYLPV-ILXRZTDVSA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250830 169092150 /nfs/dbraw/zinc/09/21/50/169092150.db2.gz UTEBJUYXNVYLPV-ILXRZTDVSA-N 2 2 337.533 3.124 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000173616287 206943765 /nfs/dbraw/zinc/94/37/65/206943765.db2.gz FEWNQILNDWAQNT-OAHLLOKOSA-N 2 2 340.471 3.024 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427052 251048437 /nfs/dbraw/zinc/04/84/37/251048437.db2.gz LSUUCZACIASCLY-WFASDCNBSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427052 251048438 /nfs/dbraw/zinc/04/84/38/251048438.db2.gz LSUUCZACIASCLY-WFASDCNBSA-N 2 2 339.361 3.342 20 0 EGADLP CCOc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000177228631 207310512 /nfs/dbraw/zinc/31/05/12/207310512.db2.gz VFNLJFZVIGIWMH-UHFFFAOYSA-N 2 2 341.455 3.456 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000268730593 252180979 /nfs/dbraw/zinc/18/09/79/252180979.db2.gz LWZWVNOSWDUALY-INIZCTEOSA-N 2 2 327.476 3.021 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268820694 252271081 /nfs/dbraw/zinc/27/10/81/252271081.db2.gz HMWQSQZSDZNSDL-JJJJLYANSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268820694 252271086 /nfs/dbraw/zinc/27/10/86/252271086.db2.gz HMWQSQZSDZNSDL-JJJJLYANSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000268830025 252278710 /nfs/dbraw/zinc/27/87/10/252278710.db2.gz KCJCFFKAYBRDLW-YPMHNXCESA-N 2 2 348.821 3.049 20 0 EGADLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000119666649 221371409 /nfs/dbraw/zinc/37/14/09/221371409.db2.gz VMIZHJYBLAUPOF-UHFFFAOYSA-N 2 2 342.418 3.269 20 0 EGADLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000119666649 221371411 /nfs/dbraw/zinc/37/14/11/221371411.db2.gz VMIZHJYBLAUPOF-UHFFFAOYSA-N 2 2 342.418 3.269 20 0 EGADLP C[NH+](C)CCOc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000119682311 221376849 /nfs/dbraw/zinc/37/68/49/221376849.db2.gz GQFBOIJWNOKYGK-UHFFFAOYSA-N 2 2 336.439 3.425 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599928 141018889 /nfs/dbraw/zinc/01/88/89/141018889.db2.gz IYHUZDPWXWEMCM-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599928 141018891 /nfs/dbraw/zinc/01/88/91/141018891.db2.gz IYHUZDPWXWEMCM-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599928 141018895 /nfs/dbraw/zinc/01/88/95/141018895.db2.gz IYHUZDPWXWEMCM-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599928 141018899 /nfs/dbraw/zinc/01/88/99/141018899.db2.gz IYHUZDPWXWEMCM-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246983299 141047341 /nfs/dbraw/zinc/04/73/41/141047341.db2.gz OZHLVIWPZODFQP-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246983299 141047343 /nfs/dbraw/zinc/04/73/43/141047343.db2.gz OZHLVIWPZODFQP-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246983299 141047345 /nfs/dbraw/zinc/04/73/45/141047345.db2.gz OZHLVIWPZODFQP-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246983299 141047346 /nfs/dbraw/zinc/04/73/46/141047346.db2.gz OZHLVIWPZODFQP-BBRMVZONSA-N 2 2 332.879 3.143 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820626 141062201 /nfs/dbraw/zinc/06/22/01/141062201.db2.gz OUUWGJOVLCUFMS-HZPDHXFCSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820626 141062203 /nfs/dbraw/zinc/06/22/03/141062203.db2.gz OUUWGJOVLCUFMS-HZPDHXFCSA-N 2 2 337.423 3.231 20 0 EGADLP Cc1ccc2nc(C[NH2+]Cc3ccc(C[NH+](C)C)c(F)c3)cn2c1 ZINC000341254238 141144347 /nfs/dbraw/zinc/14/43/47/141144347.db2.gz BHJBEUDUTQFTCS-UHFFFAOYSA-N 2 2 326.419 3.133 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CC[N@@H+]1CC(C)(C)O ZINC000342964821 141153271 /nfs/dbraw/zinc/15/32/71/141153271.db2.gz ZOCQNWPRTCQRMM-CYBMUJFWSA-N 2 2 333.863 3.170 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CC[N@H+]1CC(C)(C)O ZINC000342964821 141153274 /nfs/dbraw/zinc/15/32/74/141153274.db2.gz ZOCQNWPRTCQRMM-CYBMUJFWSA-N 2 2 333.863 3.170 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc3ccccc3o2)CC[N@H+](Cc2ccccc2)C1 ZINC000344515008 141167997 /nfs/dbraw/zinc/16/79/97/141167997.db2.gz CPIOTJFUTMCMFW-NRFANRHFSA-N 2 2 336.435 3.159 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc3ccccc3o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344515008 141167998 /nfs/dbraw/zinc/16/79/98/141167998.db2.gz CPIOTJFUTMCMFW-NRFANRHFSA-N 2 2 336.435 3.159 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2cccnc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923672 141217474 /nfs/dbraw/zinc/21/74/74/141217474.db2.gz DBHDLXLENYCSNT-KGLIPLIRSA-N 2 2 330.501 3.434 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2cccnc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923672 141217475 /nfs/dbraw/zinc/21/74/75/141217475.db2.gz DBHDLXLENYCSNT-KGLIPLIRSA-N 2 2 330.501 3.434 20 0 EGADLP C[C@H](NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347971600 141226425 /nfs/dbraw/zinc/22/64/25/141226425.db2.gz XYUFCUMNRNHOHF-YSIASYRMSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@H](NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347971600 141226428 /nfs/dbraw/zinc/22/64/28/141226428.db2.gz XYUFCUMNRNHOHF-YSIASYRMSA-N 2 2 341.499 3.383 20 0 EGADLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cn1 ZINC000352971305 141280997 /nfs/dbraw/zinc/28/09/97/141280997.db2.gz BUYVWRJZPXKKMN-IRXDYDNUSA-N 2 2 343.450 3.319 20 0 EGADLP COC[C@@]1(C[NH2+]CCCc2ccc(C)[nH+]c2)OCCc2ccccc21 ZINC000356257193 141329968 /nfs/dbraw/zinc/32/99/68/141329968.db2.gz JXQXOBPSGPQGHL-OAQYLSRUSA-N 2 2 340.467 3.027 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1cccc(Cl)c1 ZINC000178411721 144071073 /nfs/dbraw/zinc/07/10/73/144071073.db2.gz BJWIXODWMZDNSQ-AWEZNQCLSA-N 2 2 347.894 3.366 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000187089027 144152005 /nfs/dbraw/zinc/15/20/05/144152005.db2.gz TUWTVECDRVBRFS-UHFFFAOYSA-N 2 2 329.282 3.135 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344626718 144201730 /nfs/dbraw/zinc/20/17/30/144201730.db2.gz KTOUQLIVOAPYNQ-CXAGYDPISA-N 2 2 330.451 3.201 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344626718 144201732 /nfs/dbraw/zinc/20/17/32/144201732.db2.gz KTOUQLIVOAPYNQ-CXAGYDPISA-N 2 2 330.451 3.201 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@@H+]1C ZINC000344687675 144209916 /nfs/dbraw/zinc/20/99/16/144209916.db2.gz UIHFDPWKYHGTLL-FUHWJXTLSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000344687675 144209918 /nfs/dbraw/zinc/20/99/18/144209918.db2.gz UIHFDPWKYHGTLL-FUHWJXTLSA-N 2 2 325.456 3.233 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381459 144262625 /nfs/dbraw/zinc/26/26/25/144262625.db2.gz GDMMOYBQNGKRJZ-KRWDZBQOSA-N 2 2 342.405 3.125 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381459 144262626 /nfs/dbraw/zinc/26/26/26/144262626.db2.gz GDMMOYBQNGKRJZ-KRWDZBQOSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381459 144262627 /nfs/dbraw/zinc/26/26/27/144262627.db2.gz GDMMOYBQNGKRJZ-KRWDZBQOSA-N 2 2 342.405 3.125 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000351381459 144262628 /nfs/dbraw/zinc/26/26/28/144262628.db2.gz GDMMOYBQNGKRJZ-KRWDZBQOSA-N 2 2 342.405 3.125 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600327 144286040 /nfs/dbraw/zinc/28/60/40/144286040.db2.gz XZBMQCSFSOVQFC-CRAIPNDOSA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600327 144286042 /nfs/dbraw/zinc/28/60/42/144286042.db2.gz XZBMQCSFSOVQFC-CRAIPNDOSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600327 144286043 /nfs/dbraw/zinc/28/60/43/144286043.db2.gz XZBMQCSFSOVQFC-CRAIPNDOSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600327 144286045 /nfs/dbraw/zinc/28/60/45/144286045.db2.gz XZBMQCSFSOVQFC-CRAIPNDOSA-N 2 2 349.906 3.252 20 0 EGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000363779845 144365936 /nfs/dbraw/zinc/36/59/36/144365936.db2.gz FAUQRENQESAFCL-ZNMIVQPWSA-N 2 2 340.414 3.110 20 0 EGADLP Cc1ccc2nc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cn2c1 ZINC000341073124 155140947 /nfs/dbraw/zinc/14/09/47/155140947.db2.gz AVJXGMVYCRCUIE-UHFFFAOYSA-N 2 2 345.450 3.220 20 0 EGADLP c1nc2ccccc2n1CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341418818 155282556 /nfs/dbraw/zinc/28/25/56/155282556.db2.gz GPBFJGYWOZPCLS-UHFFFAOYSA-N 2 2 349.482 3.076 20 0 EGADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000341529686 155336642 /nfs/dbraw/zinc/33/66/42/155336642.db2.gz IABXNBFXAMKHIR-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP CCc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)s1 ZINC000118997274 152165403 /nfs/dbraw/zinc/16/54/03/152165403.db2.gz YWQYKHWUCHUCLU-UHFFFAOYSA-N 2 2 336.424 3.447 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000120175046 152256643 /nfs/dbraw/zinc/25/66/43/152256643.db2.gz CYQBYCNTNZICRD-KRWDZBQOSA-N 2 2 349.563 3.268 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)o1 ZINC000120889660 152307729 /nfs/dbraw/zinc/30/77/29/152307729.db2.gz ZFUIUHXSGLJLFF-UHFFFAOYSA-N 2 2 337.427 3.004 20 0 EGADLP FC(F)n1ccnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121763951 152369931 /nfs/dbraw/zinc/36/99/31/152369931.db2.gz ZZTQWEFKPPXHGR-UHFFFAOYSA-N 2 2 326.435 3.366 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000341609311 155380896 /nfs/dbraw/zinc/38/08/96/155380896.db2.gz SQDOJQKJABLODH-CYBMUJFWSA-N 2 2 327.457 3.287 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000341609311 155380902 /nfs/dbraw/zinc/38/09/02/155380902.db2.gz SQDOJQKJABLODH-CYBMUJFWSA-N 2 2 327.457 3.287 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000192070232 153241377 /nfs/dbraw/zinc/24/13/77/153241377.db2.gz ZOWPETRSUPFFPJ-UHFFFAOYSA-N 2 2 329.444 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000192070232 153241382 /nfs/dbraw/zinc/24/13/82/153241382.db2.gz ZOWPETRSUPFFPJ-UHFFFAOYSA-N 2 2 329.444 3.344 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(O)c1 ZINC000194840875 153360508 /nfs/dbraw/zinc/36/05/08/153360508.db2.gz CLZWXNCQZVXQNA-GOSISDBHSA-N 2 2 339.483 3.255 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1OC(F)F ZINC000303217907 154041025 /nfs/dbraw/zinc/04/10/25/154041025.db2.gz GFWGYNDBOIHQMU-LSDHHAIUSA-N 2 2 342.430 3.031 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+]C(C)(C)CO)cc3)[nH+]c12 ZINC000304230939 154068903 /nfs/dbraw/zinc/06/89/03/154068903.db2.gz NMTYEMXCVGROGL-UHFFFAOYSA-N 2 2 339.439 3.082 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000305847787 154135442 /nfs/dbraw/zinc/13/54/42/154135442.db2.gz TWFRGYARJJSUPY-QZTJIDSGSA-N 2 2 336.838 3.081 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000336853190 154219327 /nfs/dbraw/zinc/21/93/27/154219327.db2.gz FDLAMIBFICRZIR-OAHLLOKOSA-N 2 2 325.884 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000336853190 154219329 /nfs/dbraw/zinc/21/93/29/154219329.db2.gz FDLAMIBFICRZIR-OAHLLOKOSA-N 2 2 325.884 3.201 20 0 EGADLP CCOc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000336870069 154222169 /nfs/dbraw/zinc/22/21/69/154222169.db2.gz HCPPDSPCAOWXJT-UHFFFAOYSA-N 2 2 338.521 3.025 20 0 EGADLP CCN(C(=O)C[N@H+](C)CCC[NH+]1CCCC1)[C@@H](C)c1ccc(F)cc1 ZINC000337282662 154259517 /nfs/dbraw/zinc/25/95/17/154259517.db2.gz XOZXUVYSFZWNOO-KRWDZBQOSA-N 2 2 349.494 3.153 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CCC[NH+]1CCCC1)[C@@H](C)c1ccc(F)cc1 ZINC000337282662 154259519 /nfs/dbraw/zinc/25/95/19/154259519.db2.gz XOZXUVYSFZWNOO-KRWDZBQOSA-N 2 2 349.494 3.153 20 0 EGADLP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000337527789 154398491 /nfs/dbraw/zinc/39/84/91/154398491.db2.gz BNJDTQUYXICYGV-IAGOWNOFSA-N 2 2 339.430 3.186 20 0 EGADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338204198 154628644 /nfs/dbraw/zinc/62/86/44/154628644.db2.gz IJUPTSCFJXXXGP-MRXNPFEDSA-N 2 2 339.439 3.430 20 0 EGADLP Cc1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1C ZINC000341040398 155127715 /nfs/dbraw/zinc/12/77/15/155127715.db2.gz FORZZWBOXFYVCS-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP Cc1c[nH+]c(CNCc2cccc(C[NH+]3CCCCCC3)c2)n1C ZINC000341040398 155127716 /nfs/dbraw/zinc/12/77/16/155127716.db2.gz FORZZWBOXFYVCS-UHFFFAOYSA-N 2 2 326.488 3.394 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C[NH3+])C1 ZINC000346837608 156159236 /nfs/dbraw/zinc/15/92/36/156159236.db2.gz WPWPIFCBNYMLAF-QZTJIDSGSA-N 2 2 341.455 3.120 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(Oc3cccnc3)c(C)c2)[C@@H](C[NH3+])C1 ZINC000346837608 156159240 /nfs/dbraw/zinc/15/92/40/156159240.db2.gz WPWPIFCBNYMLAF-QZTJIDSGSA-N 2 2 341.455 3.120 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000359524458 292338059 /nfs/dbraw/zinc/33/80/59/292338059.db2.gz KUKSPJMQVQWDOM-PKOBYXMFSA-N 2 2 332.488 3.155 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359524458 292338061 /nfs/dbraw/zinc/33/80/61/292338061.db2.gz KUKSPJMQVQWDOM-PKOBYXMFSA-N 2 2 332.488 3.155 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000346997955 156236720 /nfs/dbraw/zinc/23/67/20/156236720.db2.gz DUBJDRHMOYGJES-GWCFXTLKSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000346997955 156236724 /nfs/dbraw/zinc/23/67/24/156236724.db2.gz DUBJDRHMOYGJES-GWCFXTLKSA-N 2 2 329.307 3.340 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347003760 156240874 /nfs/dbraw/zinc/24/08/74/156240874.db2.gz MDDPTCXFZRDKKJ-IUODEOHRSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347003760 156240879 /nfs/dbraw/zinc/24/08/79/156240879.db2.gz MDDPTCXFZRDKKJ-IUODEOHRSA-N 2 2 326.868 3.307 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347014484 156248880 /nfs/dbraw/zinc/24/88/80/156248880.db2.gz XNHTZSWWZILNQD-DNVCBOLYSA-N 2 2 337.458 3.033 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000347014484 156248883 /nfs/dbraw/zinc/24/88/83/156248883.db2.gz XNHTZSWWZILNQD-DNVCBOLYSA-N 2 2 337.458 3.033 20 0 EGADLP Cc1ccn2c(CN(CC[NH+](C)C)Cc3cccc(F)c3)c[nH+]c2c1 ZINC000349039967 156328699 /nfs/dbraw/zinc/32/86/99/156328699.db2.gz ZPCMEFPHLKSNMI-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000352649332 156399360 /nfs/dbraw/zinc/39/93/60/156399360.db2.gz JSCYIIPIGXZINF-JVCXIRSZSA-N 2 2 334.529 3.263 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000365634423 157199241 /nfs/dbraw/zinc/19/92/41/157199241.db2.gz YQIDCOPFHALIMG-HNNXBMFYSA-N 2 2 337.423 3.215 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000365634423 157199242 /nfs/dbraw/zinc/19/92/42/157199242.db2.gz YQIDCOPFHALIMG-HNNXBMFYSA-N 2 2 337.423 3.215 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000093597038 162017215 /nfs/dbraw/zinc/01/72/15/162017215.db2.gz XDXBXCQWRINZSB-CQSZACIVSA-N 2 2 328.378 3.345 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000093597038 162017218 /nfs/dbraw/zinc/01/72/18/162017218.db2.gz XDXBXCQWRINZSB-CQSZACIVSA-N 2 2 328.378 3.345 20 0 EGADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479393 162234814 /nfs/dbraw/zinc/23/48/14/162234814.db2.gz PUZIAGSFSFKGFP-QWHCGFSZSA-N 2 2 334.851 3.335 20 0 EGADLP C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479393 162234819 /nfs/dbraw/zinc/23/48/19/162234819.db2.gz PUZIAGSFSFKGFP-QWHCGFSZSA-N 2 2 334.851 3.335 20 0 EGADLP Fc1ccc2cc[nH+]c(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000354342951 166006269 /nfs/dbraw/zinc/00/62/69/166006269.db2.gz ZCCIZMJGGPWZGH-CQSZACIVSA-N 2 2 329.419 3.287 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000338777400 163346392 /nfs/dbraw/zinc/34/63/92/163346392.db2.gz ZJWSWDFHYBEFDY-BCDXTJNWSA-N 2 2 331.504 3.229 20 0 EGADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1C(=O)OC ZINC000338936248 163393297 /nfs/dbraw/zinc/39/32/97/163393297.db2.gz XQDWCKQHRRWNFP-HNNXBMFYSA-N 2 2 336.476 3.086 20 0 EGADLP CCc1oc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C(=O)OC ZINC000338936248 163393300 /nfs/dbraw/zinc/39/33/00/163393300.db2.gz XQDWCKQHRRWNFP-HNNXBMFYSA-N 2 2 336.476 3.086 20 0 EGADLP CC[C@H](C(=O)NCc1[nH+]ccn1CC(C)C)[N@H+](C)Cc1ccccc1 ZINC000354710451 166015853 /nfs/dbraw/zinc/01/58/53/166015853.db2.gz NSZZYUWXJRYDTI-GOSISDBHSA-N 2 2 342.487 3.066 20 0 EGADLP CC[C@H](C(=O)NCc1[nH+]ccn1CC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000354710451 166015855 /nfs/dbraw/zinc/01/58/55/166015855.db2.gz NSZZYUWXJRYDTI-GOSISDBHSA-N 2 2 342.487 3.066 20 0 EGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000344118513 164107355 /nfs/dbraw/zinc/10/73/55/164107355.db2.gz CCKZDVJLGZKMTG-NSHDSACASA-N 2 2 342.274 3.004 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(CC)CC ZINC000344180680 164121240 /nfs/dbraw/zinc/12/12/40/164121240.db2.gz YACLLSFHQRLEJK-ROUUACIJSA-N 2 2 340.552 3.449 20 0 EGADLP CSc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344521415 164186936 /nfs/dbraw/zinc/18/69/36/164186936.db2.gz HIUYAGHTMBCJNM-HXUWFJFHSA-N 2 2 342.508 3.135 20 0 EGADLP CSc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344521415 164186940 /nfs/dbraw/zinc/18/69/40/164186940.db2.gz HIUYAGHTMBCJNM-HXUWFJFHSA-N 2 2 342.508 3.135 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000346009419 164316704 /nfs/dbraw/zinc/31/67/04/164316704.db2.gz CINMWUKSSMCRSR-FUHWJXTLSA-N 2 2 340.471 3.029 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccccc1 ZINC000346009419 164316706 /nfs/dbraw/zinc/31/67/06/164316706.db2.gz CINMWUKSSMCRSR-FUHWJXTLSA-N 2 2 340.471 3.029 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000346014770 164317628 /nfs/dbraw/zinc/31/76/28/164317628.db2.gz LHHVMXMGVDWGAU-UHFFFAOYSA-N 2 2 345.531 3.134 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000346500620 164387484 /nfs/dbraw/zinc/38/74/84/164387484.db2.gz ZTXINJQOBZAICA-HXUWFJFHSA-N 2 2 345.462 3.176 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000346500620 164387486 /nfs/dbraw/zinc/38/74/86/164387486.db2.gz ZTXINJQOBZAICA-HXUWFJFHSA-N 2 2 345.462 3.176 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000346565009 164397969 /nfs/dbraw/zinc/39/79/69/164397969.db2.gz MAJAYXZFSYJLGY-ZBFHGGJFSA-N 2 2 349.450 3.194 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000346565009 164397971 /nfs/dbraw/zinc/39/79/71/164397971.db2.gz MAJAYXZFSYJLGY-ZBFHGGJFSA-N 2 2 349.450 3.194 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000346564996 164398039 /nfs/dbraw/zinc/39/80/39/164398039.db2.gz MAJAYXZFSYJLGY-GDBMZVCRSA-N 2 2 349.450 3.194 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@H](C)C1 ZINC000346564996 164398040 /nfs/dbraw/zinc/39/80/40/164398040.db2.gz MAJAYXZFSYJLGY-GDBMZVCRSA-N 2 2 349.450 3.194 20 0 EGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)C1 ZINC000344862391 287080966 /nfs/dbraw/zinc/08/09/66/287080966.db2.gz HFISCUJWFPFJON-MJEZEWASSA-N 2 2 344.503 3.173 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@@]3([NH+](C)C)CCC[C@H](C)C3)cc2n1C ZINC000354972863 166076725 /nfs/dbraw/zinc/07/67/25/166076725.db2.gz ARWQKOKHARAUQA-VBKZILBWSA-N 2 2 342.487 3.122 20 0 EGADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352031247 165201200 /nfs/dbraw/zinc/20/12/00/165201200.db2.gz ZFPFVDTUNQAEFU-MSOLQXFVSA-N 2 2 333.545 3.025 20 0 EGADLP C[C@@H]1[C@H](C)SCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352031247 165201202 /nfs/dbraw/zinc/20/12/02/165201202.db2.gz ZFPFVDTUNQAEFU-MSOLQXFVSA-N 2 2 333.545 3.025 20 0 EGADLP Oc1ccc(F)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1F ZINC000352113726 165242354 /nfs/dbraw/zinc/24/23/54/165242354.db2.gz MTXPHOQHWSOYNM-UHFFFAOYSA-N 2 2 329.350 3.205 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352355354 165359710 /nfs/dbraw/zinc/35/97/10/165359710.db2.gz BXGPWFWLWMTVOH-UHFFFAOYSA-N 2 2 341.455 3.454 20 0 EGADLP C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355077697 166101604 /nfs/dbraw/zinc/10/16/04/166101604.db2.gz ZKYLMBRHAFMKPP-HOTGVXAUSA-N 2 2 348.535 3.133 20 0 EGADLP C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355077697 166101606 /nfs/dbraw/zinc/10/16/06/166101606.db2.gz ZKYLMBRHAFMKPP-HOTGVXAUSA-N 2 2 348.535 3.133 20 0 EGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352836355 165523499 /nfs/dbraw/zinc/52/34/99/165523499.db2.gz KLNBYKBAPLEKEH-CABCVRRESA-N 2 2 348.434 3.234 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000359662070 167204442 /nfs/dbraw/zinc/20/44/42/167204442.db2.gz IVMJVNNJRUTMGG-KZNAEPCWSA-N 2 2 342.487 3.022 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000360250232 167282141 /nfs/dbraw/zinc/28/21/41/167282141.db2.gz OHSQGAMJGJDUHZ-BBRMVZONSA-N 2 2 331.287 3.491 20 0 EGADLP c1ccc2c(c1)SC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000360418251 167324684 /nfs/dbraw/zinc/32/46/84/167324684.db2.gz XZAPDILCWRISLZ-GOSISDBHSA-N 2 2 325.481 3.483 20 0 EGADLP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000360426554 167325897 /nfs/dbraw/zinc/32/58/97/167325897.db2.gz GHKYNQAXQTVISQ-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c2ccccc2C1 ZINC000365800947 168045125 /nfs/dbraw/zinc/04/51/25/168045125.db2.gz ZOCWGDUNEDFAPY-FPOVZHCZSA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c2ccccc2C1 ZINC000365800947 168045127 /nfs/dbraw/zinc/04/51/27/168045127.db2.gz ZOCWGDUNEDFAPY-FPOVZHCZSA-N 2 2 341.499 3.086 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000366084741 168081198 /nfs/dbraw/zinc/08/11/98/168081198.db2.gz IOCMDEYEJAOQDG-CMKODMSKSA-N 2 2 326.488 3.339 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000367184093 168190625 /nfs/dbraw/zinc/19/06/25/168190625.db2.gz FGDCPJZKTHUWOS-IRXDYDNUSA-N 2 2 349.544 3.218 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000367184093 168190628 /nfs/dbraw/zinc/19/06/28/168190628.db2.gz FGDCPJZKTHUWOS-IRXDYDNUSA-N 2 2 349.544 3.218 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438988 168226344 /nfs/dbraw/zinc/22/63/44/168226344.db2.gz QSCJLNGLNITYPR-OAHLLOKOSA-N 2 2 340.471 3.289 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000367450205 168227833 /nfs/dbraw/zinc/22/78/33/168227833.db2.gz HDCUDTABNCXRBY-AEFFLSMTSA-N 2 2 327.476 3.002 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000367450205 168227835 /nfs/dbraw/zinc/22/78/35/168227835.db2.gz HDCUDTABNCXRBY-AEFFLSMTSA-N 2 2 327.476 3.002 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252129817 287272944 /nfs/dbraw/zinc/27/29/44/287272944.db2.gz KQEFONSPMPHPQJ-UAFMIMERSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252129817 287272946 /nfs/dbraw/zinc/27/29/46/287272946.db2.gz KQEFONSPMPHPQJ-UAFMIMERSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252129817 287272947 /nfs/dbraw/zinc/27/29/47/287272947.db2.gz KQEFONSPMPHPQJ-UAFMIMERSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252129817 287272948 /nfs/dbraw/zinc/27/29/48/287272948.db2.gz KQEFONSPMPHPQJ-UAFMIMERSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C)[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000124078854 222372765 /nfs/dbraw/zinc/37/27/65/222372765.db2.gz KMORPEGVWBPLOI-MRXNPFEDSA-N 2 2 330.501 3.004 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Br)ncc1F ZINC000273842995 267122605 /nfs/dbraw/zinc/12/26/05/267122605.db2.gz IFTLDARVVZHPFN-SNVBAGLBSA-N 2 2 342.256 3.261 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000274281517 267211209 /nfs/dbraw/zinc/21/12/09/267211209.db2.gz YMCCKVJCJRLLCJ-OLZOCXBDSA-N 2 2 334.489 3.199 20 0 EGADLP COc1ccnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274786284 267286634 /nfs/dbraw/zinc/28/66/34/267286634.db2.gz ATBHCUFMLPNOTL-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP COc1ccnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274786284 267286637 /nfs/dbraw/zinc/28/66/37/267286637.db2.gz ATBHCUFMLPNOTL-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)cn1 ZINC000274893649 267303182 /nfs/dbraw/zinc/30/31/82/267303182.db2.gz JWKOULRMHXXADF-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000275337068 267347841 /nfs/dbraw/zinc/34/78/41/267347841.db2.gz WMOYCEFIGFXPLH-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000275337068 267347843 /nfs/dbraw/zinc/34/78/43/267347843.db2.gz WMOYCEFIGFXPLH-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000275337068 267347844 /nfs/dbraw/zinc/34/78/44/267347844.db2.gz WMOYCEFIGFXPLH-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275337068 267347847 /nfs/dbraw/zinc/34/78/47/267347847.db2.gz WMOYCEFIGFXPLH-SWLSCSKDSA-N 2 2 341.293 3.230 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461972 268018831 /nfs/dbraw/zinc/01/88/31/268018831.db2.gz MRFLAVISWQTYMW-UWJYYQICSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461972 268018832 /nfs/dbraw/zinc/01/88/32/268018832.db2.gz MRFLAVISWQTYMW-UWJYYQICSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565926 268040573 /nfs/dbraw/zinc/04/05/73/268040573.db2.gz IUZJCBBIBVSION-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278565926 268040576 /nfs/dbraw/zinc/04/05/76/268040576.db2.gz IUZJCBBIBVSION-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1cccnc1)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278565926 268040579 /nfs/dbraw/zinc/04/05/79/268040579.db2.gz IUZJCBBIBVSION-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@@H](c1cccnc1)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278565926 268040580 /nfs/dbraw/zinc/04/05/80/268040580.db2.gz IUZJCBBIBVSION-GHTZIAJQSA-N 2 2 339.483 3.366 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000359669413 274135676 /nfs/dbraw/zinc/13/56/76/274135676.db2.gz CRJRNXUSFCMDAH-GQIGUUNPSA-N 2 2 332.488 3.162 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000359669413 274135679 /nfs/dbraw/zinc/13/56/79/274135679.db2.gz CRJRNXUSFCMDAH-GQIGUUNPSA-N 2 2 332.488 3.162 20 0 EGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000367386185 274140888 /nfs/dbraw/zinc/14/08/88/274140888.db2.gz PVRSGCNEPFOEMQ-XJKSGUPXSA-N 2 2 329.419 3.494 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)CCC2 ZINC000364160146 274824003 /nfs/dbraw/zinc/82/40/03/274824003.db2.gz ZPZLMKPFCHMYIU-NVXWUHKLSA-N 2 2 339.418 3.310 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(I)cc1 ZINC000037228658 275123708 /nfs/dbraw/zinc/12/37/08/275123708.db2.gz CFPCXOOCIAJSRJ-LBPRGKRZSA-N 2 2 344.240 3.038 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110822725 275181669 /nfs/dbraw/zinc/18/16/69/275181669.db2.gz RIGCBHMUUXGBAA-HOTGVXAUSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110822725 275181670 /nfs/dbraw/zinc/18/16/70/275181670.db2.gz RIGCBHMUUXGBAA-HOTGVXAUSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1cccc2c1CC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000348184794 275374610 /nfs/dbraw/zinc/37/46/10/275374610.db2.gz IMHNXVVBCUCWSY-XHDPSFHLSA-N 2 2 332.245 3.238 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280264779 275429343 /nfs/dbraw/zinc/42/93/43/275429343.db2.gz QCFMBROLOSPTLS-LSDHHAIUSA-N 2 2 342.487 3.285 20 0 EGADLP COC(=O)CC1(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)CC1 ZINC000281742467 275572242 /nfs/dbraw/zinc/57/22/42/275572242.db2.gz XECVMXLVDNMVJV-UHFFFAOYSA-N 2 2 341.455 3.325 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C(C)(C)n1cncn1 ZINC000284317285 275791299 /nfs/dbraw/zinc/79/12/99/275791299.db2.gz ZQNYDIYRZKZQDO-JKSUJKDBSA-N 2 2 329.492 3.121 20 0 EGADLP Cc1ccnc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000285988182 275937139 /nfs/dbraw/zinc/93/71/39/275937139.db2.gz GWBXEQDVUFSONM-MRXNPFEDSA-N 2 2 339.487 3.489 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000286262923 275972096 /nfs/dbraw/zinc/97/20/96/275972096.db2.gz GVWKKUCHFZXZJT-HIFRSBDPSA-N 2 2 331.847 3.188 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287475458 276123100 /nfs/dbraw/zinc/12/31/00/276123100.db2.gz JTAPJOWJRCFQDF-INIZCTEOSA-N 2 2 330.407 3.262 20 0 EGADLP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000287535783 276129939 /nfs/dbraw/zinc/12/99/39/276129939.db2.gz DUVGGSKMEZTNBT-HZPDHXFCSA-N 2 2 339.361 3.131 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287538354 276130420 /nfs/dbraw/zinc/13/04/20/276130420.db2.gz OAMLSXFPTIYFOB-QAPCUYQASA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287538354 276130422 /nfs/dbraw/zinc/13/04/22/276130422.db2.gz OAMLSXFPTIYFOB-QAPCUYQASA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000287565316 276133994 /nfs/dbraw/zinc/13/39/94/276133994.db2.gz PVESNOPLCLYVRT-ZDUSSCGKSA-N 2 2 344.484 3.328 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000287565316 276133996 /nfs/dbraw/zinc/13/39/96/276133996.db2.gz PVESNOPLCLYVRT-ZDUSSCGKSA-N 2 2 344.484 3.328 20 0 EGADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1nnc2n1CCCCC2 ZINC000289072315 276287201 /nfs/dbraw/zinc/28/72/01/276287201.db2.gz CPFULYDYDHVCRG-QGZVFWFLSA-N 2 2 327.476 3.381 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000289414340 276335309 /nfs/dbraw/zinc/33/53/09/276335309.db2.gz PVJAIYRRHANBCR-IBGZPJMESA-N 2 2 326.440 3.357 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289463932 276343077 /nfs/dbraw/zinc/34/30/77/276343077.db2.gz IIOUNESBZOCIRB-CXAGYDPISA-N 2 2 336.842 3.293 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000289463932 276343078 /nfs/dbraw/zinc/34/30/78/276343078.db2.gz IIOUNESBZOCIRB-CXAGYDPISA-N 2 2 336.842 3.293 20 0 EGADLP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC(F)F)c1 ZINC000289691741 276379014 /nfs/dbraw/zinc/37/90/14/276379014.db2.gz OHHYWHLPDXVFHP-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC(F)F)c1 ZINC000289691741 276379017 /nfs/dbraw/zinc/37/90/17/276379017.db2.gz OHHYWHLPDXVFHP-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC(F)F)c1 ZINC000289691741 276379020 /nfs/dbraw/zinc/37/90/20/276379020.db2.gz OHHYWHLPDXVFHP-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC(F)F)c1 ZINC000289691741 276379021 /nfs/dbraw/zinc/37/90/21/276379021.db2.gz OHHYWHLPDXVFHP-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704886 276380930 /nfs/dbraw/zinc/38/09/30/276380930.db2.gz HOHLVYKLQRKROB-AEFFLSMTSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704886 276380931 /nfs/dbraw/zinc/38/09/31/276380931.db2.gz HOHLVYKLQRKROB-AEFFLSMTSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704886 276380934 /nfs/dbraw/zinc/38/09/34/276380934.db2.gz HOHLVYKLQRKROB-AEFFLSMTSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704886 276380936 /nfs/dbraw/zinc/38/09/36/276380936.db2.gz HOHLVYKLQRKROB-AEFFLSMTSA-N 2 2 338.442 3.255 20 0 EGADLP CCS[C@@H](C)c1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374168947 276395776 /nfs/dbraw/zinc/39/57/76/276395776.db2.gz AADXEDQFKDEWDD-AWEZNQCLSA-N 2 2 338.521 3.192 20 0 EGADLP CCS[C@@H](C)c1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374168947 276395778 /nfs/dbraw/zinc/39/57/78/276395778.db2.gz AADXEDQFKDEWDD-AWEZNQCLSA-N 2 2 338.521 3.192 20 0 EGADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc3c(c1)[nH+]c(C1CC1)n3C)C2 ZINC000291208821 276607294 /nfs/dbraw/zinc/60/72/94/276607294.db2.gz FOIKUJYIPJEALZ-CQSZACIVSA-N 2 2 349.438 3.157 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864228 278205301 /nfs/dbraw/zinc/20/53/01/278205301.db2.gz SEQPLZJMBHOGDL-AYZWFUJWSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864228 278205303 /nfs/dbraw/zinc/20/53/03/278205303.db2.gz SEQPLZJMBHOGDL-AYZWFUJWSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134864228 278205304 /nfs/dbraw/zinc/20/53/04/278205304.db2.gz SEQPLZJMBHOGDL-AYZWFUJWSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864228 278205305 /nfs/dbraw/zinc/20/53/05/278205305.db2.gz SEQPLZJMBHOGDL-AYZWFUJWSA-N 2 2 347.547 3.019 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000076002938 279125233 /nfs/dbraw/zinc/12/52/33/279125233.db2.gz PPDHAFKQSXFJSV-FHWLQOOXSA-N 2 2 345.531 3.224 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000076002938 279125235 /nfs/dbraw/zinc/12/52/35/279125235.db2.gz PPDHAFKQSXFJSV-FHWLQOOXSA-N 2 2 345.531 3.224 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766240 279337054 /nfs/dbraw/zinc/33/70/54/279337054.db2.gz PWWOAJINWCTTHK-QAPCUYQASA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766240 279337059 /nfs/dbraw/zinc/33/70/59/279337059.db2.gz PWWOAJINWCTTHK-QAPCUYQASA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766240 279337062 /nfs/dbraw/zinc/33/70/62/279337062.db2.gz PWWOAJINWCTTHK-QAPCUYQASA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766240 279337063 /nfs/dbraw/zinc/33/70/63/279337063.db2.gz PWWOAJINWCTTHK-QAPCUYQASA-N 2 2 330.520 3.166 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1(C)C ZINC000182054657 279866054 /nfs/dbraw/zinc/86/60/54/279866054.db2.gz SBLBLHZWSWLGID-ZYSHUDEJSA-N 2 2 331.504 3.400 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245687494 281331248 /nfs/dbraw/zinc/33/12/48/281331248.db2.gz IVFXWWFZVNHLHD-XODKDNOYSA-N 2 2 349.563 3.218 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245687494 281331250 /nfs/dbraw/zinc/33/12/50/281331250.db2.gz IVFXWWFZVNHLHD-XODKDNOYSA-N 2 2 349.563 3.218 20 0 EGADLP COc1ccccc1C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247970481 295361152 /nfs/dbraw/zinc/36/11/52/295361152.db2.gz FONDMMYPKNKUIP-RBUKOAKNSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCCO1 ZINC000247970481 295361153 /nfs/dbraw/zinc/36/11/53/295361153.db2.gz FONDMMYPKNKUIP-RBUKOAKNSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCCO1 ZINC000247970481 295361156 /nfs/dbraw/zinc/36/11/56/295361156.db2.gz FONDMMYPKNKUIP-RBUKOAKNSA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCCO1 ZINC000247970481 295361158 /nfs/dbraw/zinc/36/11/58/295361158.db2.gz FONDMMYPKNKUIP-RBUKOAKNSA-N 2 2 332.488 3.161 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988505 298042408 /nfs/dbraw/zinc/04/24/08/298042408.db2.gz BOQBPKSHMIZGAF-IKGGRYGDSA-N 2 2 349.544 3.216 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372988505 298042410 /nfs/dbraw/zinc/04/24/10/298042410.db2.gz BOQBPKSHMIZGAF-IKGGRYGDSA-N 2 2 349.544 3.216 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1[C@H]([NH2+][C@H]2CCCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000344835489 303030423 /nfs/dbraw/zinc/03/04/23/303030423.db2.gz SXLGGQUYEZEISB-GMBSWORKSA-N 2 2 344.503 3.173 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718372 307381717 /nfs/dbraw/zinc/38/17/17/307381717.db2.gz XLDBQKNVNKOLGM-JKSUJKDBSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718372 307381718 /nfs/dbraw/zinc/38/17/18/307381718.db2.gz XLDBQKNVNKOLGM-JKSUJKDBSA-N 2 2 349.906 3.475 20 0 EGADLP CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1OCC ZINC000414253687 309068849 /nfs/dbraw/zinc/06/88/49/309068849.db2.gz JMVBDGGVVBDWRP-CQSZACIVSA-N 2 2 346.475 3.134 20 0 EGADLP OC[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309224 309072112 /nfs/dbraw/zinc/07/21/12/309072112.db2.gz JCQSCNWWUFZTGS-CTNGQTDRSA-N 2 2 342.458 3.156 20 0 EGADLP OC[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309224 309072113 /nfs/dbraw/zinc/07/21/13/309072113.db2.gz JCQSCNWWUFZTGS-CTNGQTDRSA-N 2 2 342.458 3.156 20 0 EGADLP C[C@H](C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)Cn1cc[nH+]c1 ZINC000163071952 307919073 /nfs/dbraw/zinc/91/90/73/307919073.db2.gz IQHZZQZBLCXWGB-MRXNPFEDSA-N 2 2 346.906 3.427 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cn1cc[nH+]c1 ZINC000163071952 307919075 /nfs/dbraw/zinc/91/90/75/307919075.db2.gz IQHZZQZBLCXWGB-MRXNPFEDSA-N 3 2 346.906 3.427 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)n1C ZINC000414364770 309075608 /nfs/dbraw/zinc/07/56/08/309075608.db2.gz JHNVEVXHOSMCNX-AWEZNQCLSA-N 2 2 344.356 3.409 20 0 EGADLP CC[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)Oc1ccccc1Cl ZINC000414372806 309076121 /nfs/dbraw/zinc/07/61/21/309076121.db2.gz XZDMMNKBHVDXAW-CQSZACIVSA-N 2 2 336.867 3.087 20 0 EGADLP FC(F)COCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249286962 308021982 /nfs/dbraw/zinc/02/19/82/308021982.db2.gz LTQMGEXLIAOZTK-ZWKOTPCHSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249286962 308021983 /nfs/dbraw/zinc/02/19/83/308021983.db2.gz LTQMGEXLIAOZTK-ZWKOTPCHSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249286962 308021984 /nfs/dbraw/zinc/02/19/84/308021984.db2.gz LTQMGEXLIAOZTK-ZWKOTPCHSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249286962 308021985 /nfs/dbraw/zinc/02/19/85/308021985.db2.gz LTQMGEXLIAOZTK-ZWKOTPCHSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293716436 308155499 /nfs/dbraw/zinc/15/54/99/308155499.db2.gz MHADAFACSCCCLF-GOEBONIOSA-N 2 2 333.505 3.200 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293716436 308155500 /nfs/dbraw/zinc/15/55/00/308155500.db2.gz MHADAFACSCCCLF-GOEBONIOSA-N 2 2 333.505 3.200 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716447 308155567 /nfs/dbraw/zinc/15/55/67/308155567.db2.gz MHADAFACSCCCLF-ZBFHGGJFSA-N 2 2 333.505 3.200 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000293716447 308155568 /nfs/dbraw/zinc/15/55/68/308155568.db2.gz MHADAFACSCCCLF-ZBFHGGJFSA-N 2 2 333.505 3.200 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccnc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000293763189 308159733 /nfs/dbraw/zinc/15/97/33/308159733.db2.gz KFESOCYYWGPEIB-TZMCWYRMSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccnc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000293763189 308159735 /nfs/dbraw/zinc/15/97/35/308159735.db2.gz KFESOCYYWGPEIB-TZMCWYRMSA-N 2 2 335.249 3.124 20 0 EGADLP COCC1CCC([NH2+]c2ccc(N3CC[NH+](C)CC3)cc2C)CC1 ZINC000294659620 308243147 /nfs/dbraw/zinc/24/31/47/308243147.db2.gz BYMWLKSILXJJNF-UHFFFAOYSA-N 2 2 331.504 3.364 20 0 EGADLP CCn1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000294760093 308253861 /nfs/dbraw/zinc/25/38/61/308253861.db2.gz DYMOJVRLBPPVOB-INIZCTEOSA-N 2 2 344.478 3.400 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925274 308272124 /nfs/dbraw/zinc/27/21/24/308272124.db2.gz XDWBJTOWJRUXDZ-DOXZYTNZSA-N 2 2 343.471 3.167 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925274 308272125 /nfs/dbraw/zinc/27/21/25/308272125.db2.gz XDWBJTOWJRUXDZ-DOXZYTNZSA-N 2 2 343.471 3.167 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295199778 308302119 /nfs/dbraw/zinc/30/21/19/308302119.db2.gz YNISARWPJBLQKU-PMPSAXMXSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295199778 308302120 /nfs/dbraw/zinc/30/21/20/308302120.db2.gz YNISARWPJBLQKU-PMPSAXMXSA-N 2 2 347.528 3.225 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000296070526 308390562 /nfs/dbraw/zinc/39/05/62/308390562.db2.gz PVWUFSQXZJATBL-PBHICJAKSA-N 3 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000296070526 308390563 /nfs/dbraw/zinc/39/05/63/308390563.db2.gz PVWUFSQXZJATBL-PBHICJAKSA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000296070526 308390564 /nfs/dbraw/zinc/39/05/64/308390564.db2.gz PVWUFSQXZJATBL-PBHICJAKSA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000296070526 308390565 /nfs/dbraw/zinc/39/05/65/308390565.db2.gz PVWUFSQXZJATBL-PBHICJAKSA-N 2 2 332.879 3.346 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[NH2+]CC2)o1 ZINC000414653942 309093672 /nfs/dbraw/zinc/09/36/72/309093672.db2.gz IQTAUYCMNOKFRO-UHFFFAOYSA-N 2 2 336.439 3.236 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[NH2+]CC2)o1 ZINC000414653942 309093673 /nfs/dbraw/zinc/09/36/73/309093673.db2.gz IQTAUYCMNOKFRO-UHFFFAOYSA-N 2 2 336.439 3.236 20 0 EGADLP c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000414654922 309093804 /nfs/dbraw/zinc/09/38/04/309093804.db2.gz KDIPFNOLDAJQCH-UHFFFAOYSA-N 2 2 338.480 3.396 20 0 EGADLP c1csc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[NH2+]CC2)c1 ZINC000414654922 309093805 /nfs/dbraw/zinc/09/38/05/309093805.db2.gz KDIPFNOLDAJQCH-UHFFFAOYSA-N 2 2 338.480 3.396 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414661872 309094359 /nfs/dbraw/zinc/09/43/59/309094359.db2.gz QOJGNMKTCUIKCG-QGZVFWFLSA-N 2 2 334.467 3.377 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000414661872 309094360 /nfs/dbraw/zinc/09/43/60/309094360.db2.gz QOJGNMKTCUIKCG-QGZVFWFLSA-N 2 2 334.467 3.377 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000414666934 309094521 /nfs/dbraw/zinc/09/45/21/309094521.db2.gz XCTJRSYRWKFHBT-BEFAXECRSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000414666934 309094522 /nfs/dbraw/zinc/09/45/22/309094522.db2.gz XCTJRSYRWKFHBT-BEFAXECRSA-N 2 2 325.456 3.316 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@H]3C[C@@H](C)n4cc[nH+]c43)c(C)c2)CC1 ZINC000296964052 308484716 /nfs/dbraw/zinc/48/47/16/308484716.db2.gz RETBAHTWAGRBLN-APWZRJJASA-N 2 2 339.487 3.451 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000414817228 309103463 /nfs/dbraw/zinc/10/34/63/309103463.db2.gz RSLSDPRGXAFNNB-CYBMUJFWSA-N 2 2 333.457 3.146 20 0 EGADLP CCc1cc(NCCC[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000301189392 308691299 /nfs/dbraw/zinc/69/12/99/308691299.db2.gz XNKKLKYSMFJBLJ-UHFFFAOYSA-N 2 2 325.460 3.389 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000414840104 309104842 /nfs/dbraw/zinc/10/48/42/309104842.db2.gz GLQRKJXJBLFFPR-AWEZNQCLSA-N 2 2 326.366 3.342 20 0 EGADLP Cc1ccc([C@@H](CNc2nc[nH+]c(N)c2Cl)[NH+]2CCCC2)cc1 ZINC000302870410 308748672 /nfs/dbraw/zinc/74/86/72/308748672.db2.gz BFHDZKAHVSFTFO-CQSZACIVSA-N 2 2 331.851 3.270 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844299 309105183 /nfs/dbraw/zinc/10/51/83/309105183.db2.gz KQWOFYCIKLMPLQ-SFHVURJKSA-N 2 2 326.488 3.071 20 0 EGADLP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414872228 309106564 /nfs/dbraw/zinc/10/65/64/309106564.db2.gz WFLDLQGYRRXBRS-LLVKDONJSA-N 2 2 337.183 3.310 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000352184973 308885233 /nfs/dbraw/zinc/88/52/33/308885233.db2.gz YEEQNMSBMRBCRV-HNNXBMFYSA-N 2 2 338.521 3.234 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cc(NC5CC5)[nH+]cn4)C3)C2)cc1 ZINC000413284499 309025207 /nfs/dbraw/zinc/02/52/07/309025207.db2.gz VBDYIWSSLQOZAD-OAQYLSRUSA-N 2 2 349.482 3.153 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@]3(CCN(c4cc(NC5CC5)[nH+]cn4)C3)C2)cc1 ZINC000413284499 309025208 /nfs/dbraw/zinc/02/52/08/309025208.db2.gz VBDYIWSSLQOZAD-OAQYLSRUSA-N 2 2 349.482 3.153 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cc(NC5CC5)nc[nH+]4)C3)C2)cc1 ZINC000413284499 309025209 /nfs/dbraw/zinc/02/52/09/309025209.db2.gz VBDYIWSSLQOZAD-OAQYLSRUSA-N 2 2 349.482 3.153 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@]3(CCN(c4cc(NC5CC5)nc[nH+]4)C3)C2)cc1 ZINC000413284499 309025210 /nfs/dbraw/zinc/02/52/10/309025210.db2.gz VBDYIWSSLQOZAD-OAQYLSRUSA-N 2 2 349.482 3.153 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000414849000 309105493 /nfs/dbraw/zinc/10/54/93/309105493.db2.gz WXSASFXJJHKIFU-SLFFLAALSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCCC1 ZINC000414849000 309105494 /nfs/dbraw/zinc/10/54/94/309105494.db2.gz WXSASFXJJHKIFU-SLFFLAALSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCCCC1 ZINC000414849005 309105548 /nfs/dbraw/zinc/10/55/48/309105548.db2.gz WXSASFXJJHKIFU-VAMGGRTRSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCCC1 ZINC000414849005 309105549 /nfs/dbraw/zinc/10/55/49/309105549.db2.gz WXSASFXJJHKIFU-VAMGGRTRSA-N 3 2 327.516 3.148 20 0 EGADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414866980 309106355 /nfs/dbraw/zinc/10/63/55/309106355.db2.gz FUBTZANLJRFXPJ-CMPLNLGQSA-N 2 2 342.283 3.010 20 0 EGADLP C[C@H](C[NH3+])C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000414872785 309106605 /nfs/dbraw/zinc/10/66/05/309106605.db2.gz GDEWOYPDTMGKFW-LLVKDONJSA-N 2 2 325.865 3.060 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1OCc1ccccc1 ZINC000414924690 309109583 /nfs/dbraw/zinc/10/95/83/309109583.db2.gz IZOKAGGLBRNPOO-LPHOPBHVSA-N 2 2 340.467 3.362 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cs2)cc1 ZINC000414962279 309111755 /nfs/dbraw/zinc/11/17/55/309111755.db2.gz CBAZMCNDYCFWDA-MRXNPFEDSA-N 2 2 331.485 3.296 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414969542 309112247 /nfs/dbraw/zinc/11/22/47/309112247.db2.gz ZEWLECVWYXELOU-LLVKDONJSA-N 2 2 326.366 3.183 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414978226 309112490 /nfs/dbraw/zinc/11/24/90/309112490.db2.gz SVIRQELXJIDUEL-SFHVURJKSA-N 3 2 335.923 3.426 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415011020 309114047 /nfs/dbraw/zinc/11/40/47/309114047.db2.gz VQSYBEJXSUHDAF-WBVHZDCISA-N 3 2 335.923 3.412 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000415064696 309117969 /nfs/dbraw/zinc/11/79/69/309117969.db2.gz LDAFPKXVWDYJEO-IFXJQAMLSA-N 2 2 343.446 3.395 20 0 EGADLP CCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)cc1OC ZINC000415073422 309118289 /nfs/dbraw/zinc/11/82/89/309118289.db2.gz ZFBMGMQKOLRGCL-SFHVURJKSA-N 2 2 328.456 3.446 20 0 EGADLP [NH3+]C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000415071234 309118351 /nfs/dbraw/zinc/11/83/51/309118351.db2.gz WDYZWYDSZPMXNA-LJQANCHMSA-N 2 2 335.923 3.412 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415075816 309118493 /nfs/dbraw/zinc/11/84/93/309118493.db2.gz AKGOBYIYHFOOCF-YPMHNXCESA-N 2 2 329.307 3.271 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415103168 309120549 /nfs/dbraw/zinc/12/05/49/309120549.db2.gz CSOIRFCXQQUGOS-HIFRSBDPSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415103168 309120550 /nfs/dbraw/zinc/12/05/50/309120550.db2.gz CSOIRFCXQQUGOS-HIFRSBDPSA-N 2 2 331.485 3.235 20 0 EGADLP C[C@@H](C[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c(C[NH+]2CCOCC2)c1 ZINC000415114295 309121206 /nfs/dbraw/zinc/12/12/06/309121206.db2.gz XIJGZZOKDPWDHK-GOEBONIOSA-N 2 2 337.895 3.115 20 0 EGADLP C[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@H](C[NH3+])C1 ZINC000415184773 309125312 /nfs/dbraw/zinc/12/53/12/309125312.db2.gz KHEDYJMMCMKARE-ZBFHGGJFSA-N 2 2 340.427 3.465 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415957959 309151135 /nfs/dbraw/zinc/15/11/35/309151135.db2.gz NDOCFMXAPAHDHZ-AWEZNQCLSA-N 2 2 344.484 3.118 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCN(Cc2c[nH+]cn2CC)[C@@H](C)C1 ZINC000418131424 309236815 /nfs/dbraw/zinc/23/68/15/309236815.db2.gz DCUBECPYAVMGJA-KRWDZBQOSA-N 2 2 342.487 3.008 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCN(Cc2c[nH+]cn2CC)[C@@H](C)C1 ZINC000418131424 309236816 /nfs/dbraw/zinc/23/68/16/309236816.db2.gz DCUBECPYAVMGJA-KRWDZBQOSA-N 2 2 342.487 3.008 20 0 EGADLP [NH3+]CCC[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000418677166 309253385 /nfs/dbraw/zinc/25/33/85/309253385.db2.gz RJZGPVWXHVTVNZ-IAGOWNOFSA-N 2 2 341.459 3.127 20 0 EGADLP COCc1cc(N2CCC3(CC[NH2+]C3)CC2)c2cc(F)ccc2[nH+]1 ZINC000420260469 309278423 /nfs/dbraw/zinc/27/84/23/309278423.db2.gz NJJCNXURFQVNMR-UHFFFAOYSA-N 2 2 329.419 3.100 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000420297233 309279796 /nfs/dbraw/zinc/27/97/96/309279796.db2.gz YHJRKOPBVGOONB-XJKSGUPXSA-N 2 2 332.448 3.111 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000420297233 309279797 /nfs/dbraw/zinc/27/97/97/309279797.db2.gz YHJRKOPBVGOONB-XJKSGUPXSA-N 2 2 332.448 3.111 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303221 309280341 /nfs/dbraw/zinc/28/03/41/309280341.db2.gz HMGLGRDFKTUWPT-ZSZQSSIHSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420303221 309280342 /nfs/dbraw/zinc/28/03/42/309280342.db2.gz HMGLGRDFKTUWPT-ZSZQSSIHSA-N 2 2 341.430 3.175 20 0 EGADLP CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[NH2+]CC1 ZINC000420305045 309280656 /nfs/dbraw/zinc/28/06/56/309280656.db2.gz FUZWTJSZISPUNG-INIZCTEOSA-N 2 2 347.894 3.100 20 0 EGADLP CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[NH2+]CC1 ZINC000420305045 309280657 /nfs/dbraw/zinc/28/06/57/309280657.db2.gz FUZWTJSZISPUNG-INIZCTEOSA-N 2 2 347.894 3.100 20 0 EGADLP CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[NH2+]CC1 ZINC000420305047 309280817 /nfs/dbraw/zinc/28/08/17/309280817.db2.gz FUZWTJSZISPUNG-MRXNPFEDSA-N 2 2 347.894 3.100 20 0 EGADLP CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[NH2+]CC1 ZINC000420305047 309280818 /nfs/dbraw/zinc/28/08/18/309280818.db2.gz FUZWTJSZISPUNG-MRXNPFEDSA-N 2 2 347.894 3.100 20 0 EGADLP CC(C)n1ncnc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420318669 309281901 /nfs/dbraw/zinc/28/19/01/309281901.db2.gz WITLSCGNEVIUIK-MOPGFXCFSA-N 2 2 341.503 3.031 20 0 EGADLP CC(C)n1ncnc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420318669 309281902 /nfs/dbraw/zinc/28/19/02/309281902.db2.gz WITLSCGNEVIUIK-MOPGFXCFSA-N 2 2 341.503 3.031 20 0 EGADLP COC(=O)[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420341793 309283469 /nfs/dbraw/zinc/28/34/69/309283469.db2.gz VWRCOHGPGKUXMI-SJORKVTESA-N 2 2 336.863 3.018 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420354247 309283950 /nfs/dbraw/zinc/28/39/50/309283950.db2.gz CSEPDNMGHULQMH-UXHICEINSA-N 2 2 345.531 3.387 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000420362936 309284396 /nfs/dbraw/zinc/28/43/96/309284396.db2.gz NIJCZKUIVOIBEK-SFHVURJKSA-N 2 2 341.455 3.380 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(F)cc1 ZINC000420375540 309285098 /nfs/dbraw/zinc/28/50/98/309285098.db2.gz TXECDUITLRDTML-UYAOXDASSA-N 2 2 349.494 3.136 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420394021 309286104 /nfs/dbraw/zinc/28/61/04/309286104.db2.gz CIWIOALABMQNKV-CORIIIEPSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000420394021 309286105 /nfs/dbraw/zinc/28/61/05/309286105.db2.gz CIWIOALABMQNKV-CORIIIEPSA-N 2 2 332.423 3.162 20 0 EGADLP CC(C)(C)[C@@H]([NH2+]Cc1noc(C[NH3+])n1)c1cccc(C(F)(F)F)c1 ZINC000420395536 309286385 /nfs/dbraw/zinc/28/63/85/309286385.db2.gz DMLHIVHFXJLPIH-AWEZNQCLSA-N 2 2 342.365 3.424 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420401845 309286611 /nfs/dbraw/zinc/28/66/11/309286611.db2.gz JOCMYXAXRAOFCZ-UONOGXRCSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000420401845 309286612 /nfs/dbraw/zinc/28/66/12/309286612.db2.gz JOCMYXAXRAOFCZ-UONOGXRCSA-N 2 2 331.485 3.235 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc4ccccc4s3)CC2)CC1 ZINC000420620123 309290422 /nfs/dbraw/zinc/29/04/22/309290422.db2.gz BBMDRASSZMYSSH-UHFFFAOYSA-N 2 2 344.528 3.293 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc4ccccc4s3)CC2)CC1 ZINC000420620123 309290423 /nfs/dbraw/zinc/29/04/23/309290423.db2.gz BBMDRASSZMYSSH-UHFFFAOYSA-N 2 2 344.528 3.293 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000420800216 309295433 /nfs/dbraw/zinc/29/54/33/309295433.db2.gz ZBHPCBNIDMRIBY-KRWDZBQOSA-N 2 2 346.519 3.398 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000420800216 309295434 /nfs/dbraw/zinc/29/54/34/309295434.db2.gz ZBHPCBNIDMRIBY-KRWDZBQOSA-N 2 2 346.519 3.398 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cc(F)cc(F)c1 ZINC000420924132 309301378 /nfs/dbraw/zinc/30/13/78/309301378.db2.gz RYDNFALOVFFFNQ-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cc(F)cc(F)c1 ZINC000420924132 309301379 /nfs/dbraw/zinc/30/13/79/309301379.db2.gz RYDNFALOVFFFNQ-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932498 309302118 /nfs/dbraw/zinc/30/21/18/309302118.db2.gz HIBBNXLONSUXMK-NRFANRHFSA-N 2 2 339.483 3.497 20 0 EGADLP CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932498 309302119 /nfs/dbraw/zinc/30/21/19/309302119.db2.gz HIBBNXLONSUXMK-NRFANRHFSA-N 2 2 339.483 3.497 20 0 EGADLP CCc1cnccc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420949569 309303515 /nfs/dbraw/zinc/30/35/15/309303515.db2.gz QVFFHAYJZBAURZ-QGZVFWFLSA-N 2 2 339.483 3.327 20 0 EGADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000420957650 309304480 /nfs/dbraw/zinc/30/44/80/309304480.db2.gz DDQHRMUAUKMOCG-HXUWFJFHSA-N 2 2 346.515 3.298 20 0 EGADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000420957650 309304481 /nfs/dbraw/zinc/30/44/81/309304481.db2.gz DDQHRMUAUKMOCG-HXUWFJFHSA-N 2 2 346.515 3.298 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccccc3Cl)CC2)CC1 ZINC000420978061 309305255 /nfs/dbraw/zinc/30/52/55/309305255.db2.gz IRPSKPWTTMGIFA-UHFFFAOYSA-N 2 2 335.923 3.332 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccccc3Cl)CC2)CC1 ZINC000420978061 309305256 /nfs/dbraw/zinc/30/52/56/309305256.db2.gz IRPSKPWTTMGIFA-UHFFFAOYSA-N 2 2 335.923 3.332 20 0 EGADLP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358958 309320184 /nfs/dbraw/zinc/32/01/84/309320184.db2.gz DRFFIJZEOHJHOX-GDBMZVCRSA-N 2 2 329.444 3.277 20 0 EGADLP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358958 309320185 /nfs/dbraw/zinc/32/01/85/309320185.db2.gz DRFFIJZEOHJHOX-GDBMZVCRSA-N 2 2 329.444 3.277 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421367340 309320729 /nfs/dbraw/zinc/32/07/29/309320729.db2.gz SNIBIBBEMQCSGC-HUUCEWRRSA-N 2 2 326.916 3.372 20 0 EGADLP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394239 309322770 /nfs/dbraw/zinc/32/27/70/309322770.db2.gz XMKRPPDNLXGUJL-LSDHHAIUSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394239 309322771 /nfs/dbraw/zinc/32/27/71/309322771.db2.gz XMKRPPDNLXGUJL-LSDHHAIUSA-N 2 2 329.444 3.134 20 0 EGADLP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000421576026 309330480 /nfs/dbraw/zinc/33/04/80/309330480.db2.gz LKHRZFGNHRBHTG-LJQANCHMSA-N 2 2 341.430 3.118 20 0 EGADLP Cc1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000421576026 309330481 /nfs/dbraw/zinc/33/04/81/309330481.db2.gz LKHRZFGNHRBHTG-LJQANCHMSA-N 2 2 341.430 3.118 20 0 EGADLP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849912 309343224 /nfs/dbraw/zinc/34/32/24/309343224.db2.gz CPTVLIAJSDBGPN-UYAOXDASSA-N 2 2 346.515 3.215 20 0 EGADLP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849912 309343225 /nfs/dbraw/zinc/34/32/25/309343225.db2.gz CPTVLIAJSDBGPN-UYAOXDASSA-N 2 2 346.515 3.215 20 0 EGADLP CCCC[C@H](CC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008291 309350645 /nfs/dbraw/zinc/35/06/45/309350645.db2.gz PKWPKDRTAIXJSP-SFHVURJKSA-N 2 2 337.552 3.221 20 0 EGADLP CCCC[C@H](CC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008291 309350646 /nfs/dbraw/zinc/35/06/46/309350646.db2.gz PKWPKDRTAIXJSP-SFHVURJKSA-N 2 2 337.552 3.221 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000422184362 309357125 /nfs/dbraw/zinc/35/71/25/309357125.db2.gz ARSFPZHPPQVEPF-APWZRJJASA-N 2 2 340.471 3.189 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000422184370 309357228 /nfs/dbraw/zinc/35/72/28/309357228.db2.gz ARSFPZHPPQVEPF-VQIMIIECSA-N 2 2 340.471 3.189 20 0 EGADLP Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccsc2)cc(C)[nH+]1 ZINC000422213741 309358153 /nfs/dbraw/zinc/35/81/53/309358153.db2.gz RXJJZTCDJQWRQG-UHFFFAOYSA-N 2 2 346.500 3.033 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709368 309364260 /nfs/dbraw/zinc/36/42/60/309364260.db2.gz YZUXCJRNKAYZPG-XJKSGUPXSA-N 2 2 342.405 3.094 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1c(F)cccc1F ZINC000422748077 309366455 /nfs/dbraw/zinc/36/64/55/309366455.db2.gz RVCCHNNNMRRQPV-KZNAEPCWSA-N 2 2 331.410 3.302 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422750431 309366529 /nfs/dbraw/zinc/36/65/29/309366529.db2.gz DEFWIFIRFLDSHP-KURKYZTESA-N 3 2 326.488 3.245 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422798273 309369061 /nfs/dbraw/zinc/36/90/61/309369061.db2.gz QLBROEQBPKLXMY-SLFFLAALSA-N 2 2 333.520 3.328 20 0 EGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000422811868 309369718 /nfs/dbraw/zinc/36/97/18/309369718.db2.gz PTAWWMZQAZLCDY-YLJYHZDGSA-N 3 2 326.488 3.332 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422826115 309370508 /nfs/dbraw/zinc/37/05/08/309370508.db2.gz KVTQSPMSKBWKBZ-QHAWAJNXSA-N 3 2 338.499 3.332 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1OC(F)F ZINC000422870230 309372816 /nfs/dbraw/zinc/37/28/16/309372816.db2.gz BPTCMZILXNBAOX-KGLIPLIRSA-N 2 2 328.403 3.436 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422868073 309372908 /nfs/dbraw/zinc/37/29/08/309372908.db2.gz UHGVETOLDBFFLA-FUHWJXTLSA-N 2 2 326.440 3.336 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422888445 309374274 /nfs/dbraw/zinc/37/42/74/309374274.db2.gz CVYDBGHWGQJOQP-BBRMVZONSA-N 2 2 327.453 3.451 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422890292 309374438 /nfs/dbraw/zinc/37/44/38/309374438.db2.gz IBHWDUJHXHEUQP-MJGOQNOKSA-N 3 2 333.520 3.027 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000422925995 309376344 /nfs/dbraw/zinc/37/63/44/309376344.db2.gz CEVSADPPSHQHLG-WCQYABFASA-N 2 2 329.271 3.339 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942841 309377286 /nfs/dbraw/zinc/37/72/86/309377286.db2.gz QGNMRBOCGCNYQG-YYWHXJBOSA-N 3 2 329.532 3.047 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942841 309377287 /nfs/dbraw/zinc/37/72/87/309377287.db2.gz QGNMRBOCGCNYQG-YYWHXJBOSA-N 3 2 329.532 3.047 20 0 EGADLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000422975068 309379216 /nfs/dbraw/zinc/37/92/16/309379216.db2.gz SGKKOTFXQMTPDY-OALUTQOASA-N 2 2 325.456 3.452 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423059045 309383799 /nfs/dbraw/zinc/38/37/99/309383799.db2.gz KTWWGYIPCUDRBU-WOSRLPQWSA-N 2 2 330.394 3.166 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144364 309388223 /nfs/dbraw/zinc/38/82/23/309388223.db2.gz YRWXSXBGWPIFPE-NJYVYQBISA-N 3 2 329.532 3.409 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144364 309388224 /nfs/dbraw/zinc/38/82/24/309388224.db2.gz YRWXSXBGWPIFPE-NJYVYQBISA-N 3 2 329.532 3.409 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423161714 309388914 /nfs/dbraw/zinc/38/89/14/309388914.db2.gz ODMHADMNLGXNPM-KXBFYZLASA-N 2 2 338.430 3.060 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000423260047 309392844 /nfs/dbraw/zinc/39/28/44/309392844.db2.gz GQAJWLBFQPZZMN-HNAYVOBHSA-N 2 2 341.503 3.442 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(Br)c1 ZINC000423267113 309393096 /nfs/dbraw/zinc/39/30/96/309393096.db2.gz SQOCMKFHIGAUFT-NEPJUHHUSA-N 2 2 329.282 3.482 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423278102 309393852 /nfs/dbraw/zinc/39/38/52/309393852.db2.gz PJGHUAMRCAEINC-MRXNPFEDSA-N 2 2 327.476 3.230 20 0 EGADLP COc1ccc([C@H]([NH2+]CC(C)(C)[NH3+])C(C)C)c(Br)c1 ZINC000423281826 309393897 /nfs/dbraw/zinc/39/38/97/309393897.db2.gz BXPBULCJHOJHKX-CQSZACIVSA-N 2 2 329.282 3.482 20 0 EGADLP Brc1cccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccccc2)c1 ZINC000423333199 309395795 /nfs/dbraw/zinc/39/57/95/309395795.db2.gz VPHZWYFURLSEBD-QGZVFWFLSA-N 2 2 331.257 3.348 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000423339258 309396045 /nfs/dbraw/zinc/39/60/45/309396045.db2.gz SETHBQWLSKXBBB-MRXNPFEDSA-N 2 2 345.512 3.322 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cncc(F)c1 ZINC000423366469 309397326 /nfs/dbraw/zinc/39/73/26/309397326.db2.gz LPSIXEIEMLXCGC-BKGUAONASA-N 2 2 335.373 3.295 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000423414360 309399193 /nfs/dbraw/zinc/39/91/93/309399193.db2.gz CCOSXPYOVLNLJI-IERDGZPVSA-N 2 2 332.451 3.410 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)CCC[NH2+]1 ZINC000423413266 309399196 /nfs/dbraw/zinc/39/91/96/309399196.db2.gz JZVOJNDOPGGZOL-WOJBJXKFSA-N 2 2 332.488 3.285 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCC[NH2+]1 ZINC000423415093 309399211 /nfs/dbraw/zinc/39/92/11/309399211.db2.gz OLCUCQFHLLAHQN-UXHICEINSA-N 2 2 328.431 3.273 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423414838 309399215 /nfs/dbraw/zinc/39/92/15/309399215.db2.gz CPKWBQYQZSIICO-WMLDXEAASA-N 2 2 328.403 3.097 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000423431144 309400071 /nfs/dbraw/zinc/40/00/71/309400071.db2.gz LJMPMWIAWVSGNY-QGZVFWFLSA-N 2 2 326.444 3.416 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1OCc1ccccc1 ZINC000423516000 309404158 /nfs/dbraw/zinc/40/41/58/309404158.db2.gz NHTWZOUTXGGNBU-IEBWSBKVSA-N 2 2 340.467 3.295 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000423527271 309404933 /nfs/dbraw/zinc/40/49/33/309404933.db2.gz MELACUDFXWXTEM-YVEFUNNKSA-N 2 2 347.894 3.397 20 0 EGADLP CCCC[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000423567556 309406603 /nfs/dbraw/zinc/40/66/03/309406603.db2.gz DCWWYPXBBWZJKP-SJORKVTESA-N 2 2 346.519 3.200 20 0 EGADLP [NH3+][C@H](CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)CC1CCCCC1 ZINC000424126877 309430293 /nfs/dbraw/zinc/43/02/93/309430293.db2.gz CDLUEDXHARYVLD-DLBZAZTESA-N 2 2 332.492 3.194 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)C1 ZINC000424259453 309434736 /nfs/dbraw/zinc/43/47/36/309434736.db2.gz CQMQDIFXIWXUJG-UUKMXZOPSA-N 2 2 344.499 3.391 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000427865327 309537308 /nfs/dbraw/zinc/53/73/08/309537308.db2.gz NIPSVOJHGCTYRX-HZPDHXFCSA-N 2 2 346.272 3.108 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CCSC1 ZINC000431338608 309630433 /nfs/dbraw/zinc/63/04/33/309630433.db2.gz OXUFAYOITAHHLT-UYAOXDASSA-N 2 2 346.540 3.416 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449114121 310038073 /nfs/dbraw/zinc/03/80/73/310038073.db2.gz YGOZEFIMYKNTDY-UHFFFAOYSA-N 2 2 342.483 3.439 20 0 EGADLP C[C@@H](C[NH2+]Cc1cnc(-c2ccccc2F)s1)C[NH+]1CCOCC1 ZINC000449165311 310041624 /nfs/dbraw/zinc/04/16/24/310041624.db2.gz VFRLXTLGKCAWRX-AWEZNQCLSA-N 2 2 349.475 3.007 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3c(c1)OCCCCO3)CCC2 ZINC000449168361 310041875 /nfs/dbraw/zinc/04/18/75/310041875.db2.gz MCNHFYMJXNAIJX-KRWDZBQOSA-N 2 2 341.455 3.410 20 0 EGADLP CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449377991 310057541 /nfs/dbraw/zinc/05/75/41/310057541.db2.gz CFLPKJVYBUVTMM-CQSZACIVSA-N 2 2 327.350 3.319 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388221 310058138 /nfs/dbraw/zinc/05/81/38/310058138.db2.gz OQISLISKHKDURF-KBPBESRZSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388221 310058139 /nfs/dbraw/zinc/05/81/39/310058139.db2.gz OQISLISKHKDURF-KBPBESRZSA-N 2 2 345.314 3.361 20 0 EGADLP CO[C@@](C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000449486808 310066114 /nfs/dbraw/zinc/06/61/14/310066114.db2.gz VLGGBNAGHHGEKZ-FQEVSTJZSA-N 2 2 325.456 3.202 20 0 EGADLP OC[C@@H]([C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513044 310068301 /nfs/dbraw/zinc/06/83/01/310068301.db2.gz VCYXCYWOFWVENY-NJYVYQBISA-N 2 2 328.500 3.038 20 0 EGADLP OC[C@@H]([C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1)C1CC1 ZINC000449513044 310068302 /nfs/dbraw/zinc/06/83/02/310068302.db2.gz VCYXCYWOFWVENY-NJYVYQBISA-N 2 2 328.500 3.038 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3C)CC2)cc1 ZINC000449520892 310068860 /nfs/dbraw/zinc/06/88/60/310068860.db2.gz FSUWXNZFGVURSM-YWZLYKJASA-N 2 2 329.488 3.388 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449751119 310084343 /nfs/dbraw/zinc/08/43/43/310084343.db2.gz XQDCISWMHKIOJX-SJLPKXTDSA-N 2 2 325.456 3.233 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449751119 310084344 /nfs/dbraw/zinc/08/43/44/310084344.db2.gz XQDCISWMHKIOJX-SJLPKXTDSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780525 310086747 /nfs/dbraw/zinc/08/67/47/310086747.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780525 310086748 /nfs/dbraw/zinc/08/67/48/310086748.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780525 310086749 /nfs/dbraw/zinc/08/67/49/310086749.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780525 310086750 /nfs/dbraw/zinc/08/67/50/310086750.db2.gz GFSKAAQRFXXVGL-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cc2nc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)oc2c(C)c1 ZINC000450418234 310121291 /nfs/dbraw/zinc/12/12/91/310121291.db2.gz LQGFDTPHQPJUPF-MRXNPFEDSA-N 2 2 342.487 3.049 20 0 EGADLP Cc1cc2nc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)oc2c(C)c1 ZINC000450418234 310121292 /nfs/dbraw/zinc/12/12/92/310121292.db2.gz LQGFDTPHQPJUPF-MRXNPFEDSA-N 2 2 342.487 3.049 20 0 EGADLP c1c[nH+]c(C2CC[NH+](Cc3ccn(CCc4ccccc4)n3)CC2)[nH]1 ZINC000450478228 310125090 /nfs/dbraw/zinc/12/50/90/310125090.db2.gz ZXPMMXJFBNXWDX-UHFFFAOYSA-N 2 2 335.455 3.229 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@H]1CCOC1 ZINC000450691008 310137535 /nfs/dbraw/zinc/13/75/35/310137535.db2.gz WURJRNLZLNBAEB-FGYAAKKASA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@H]1CCOC1 ZINC000450691008 310137536 /nfs/dbraw/zinc/13/75/36/310137536.db2.gz WURJRNLZLNBAEB-FGYAAKKASA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@H]1CCOC1)[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCOC1 ZINC000450691008 310137537 /nfs/dbraw/zinc/13/75/37/310137537.db2.gz WURJRNLZLNBAEB-FGYAAKKASA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@H]1CCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCOC1 ZINC000450691008 310137538 /nfs/dbraw/zinc/13/75/38/310137538.db2.gz WURJRNLZLNBAEB-FGYAAKKASA-N 2 2 338.536 3.014 20 0 EGADLP Fc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451014263 310155448 /nfs/dbraw/zinc/15/54/48/310155448.db2.gz CJZWNONAQKOPFA-QGZVFWFLSA-N 2 2 341.430 3.474 20 0 EGADLP Fc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451014263 310155449 /nfs/dbraw/zinc/15/54/49/310155449.db2.gz CJZWNONAQKOPFA-QGZVFWFLSA-N 2 2 341.430 3.474 20 0 EGADLP CC[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@H+](C)Cc1ccccc1 ZINC000452329220 310223430 /nfs/dbraw/zinc/22/34/30/310223430.db2.gz BBCKSEKFYCXQPL-INIZCTEOSA-N 2 2 326.444 3.069 20 0 EGADLP CC[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000452329220 310223431 /nfs/dbraw/zinc/22/34/31/310223431.db2.gz BBCKSEKFYCXQPL-INIZCTEOSA-N 2 2 326.444 3.069 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452609888 310234595 /nfs/dbraw/zinc/23/45/95/310234595.db2.gz ZVNDOEBJNXXJIZ-ZIAGYGMSSA-N 2 2 346.862 3.015 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)sc1Br ZINC000453274359 310268596 /nfs/dbraw/zinc/26/85/96/310268596.db2.gz XIHBGIUCZVJDPH-IJLUTSLNSA-N 2 2 344.322 3.176 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)sc1Br ZINC000453274359 310268597 /nfs/dbraw/zinc/26/85/97/310268597.db2.gz XIHBGIUCZVJDPH-IJLUTSLNSA-N 2 2 344.322 3.176 20 0 EGADLP COc1ccccc1[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CCCC1 ZINC000453273332 310268679 /nfs/dbraw/zinc/26/86/79/310268679.db2.gz VSDPIADYXACWMX-NQIIRXRSSA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CCCC1 ZINC000453273332 310268680 /nfs/dbraw/zinc/26/86/80/310268680.db2.gz VSDPIADYXACWMX-NQIIRXRSSA-N 2 2 346.515 3.363 20 0 EGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C(C)(C)n1cncn1 ZINC000453310339 310270368 /nfs/dbraw/zinc/27/03/68/310270368.db2.gz YWNQGNBPZKAJMS-KRWDZBQOSA-N 2 2 341.503 3.046 20 0 EGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C(C)(C)n1cncn1 ZINC000453310339 310270369 /nfs/dbraw/zinc/27/03/69/310270369.db2.gz YWNQGNBPZKAJMS-KRWDZBQOSA-N 2 2 341.503 3.046 20 0 EGADLP c1cn2c(cccc2C[NH+]2CCC3(CC2)OCCc2ccccc23)[nH+]1 ZINC000453578092 310282624 /nfs/dbraw/zinc/28/26/24/310282624.db2.gz PXPNVGYQXZOOOF-UHFFFAOYSA-N 2 2 333.435 3.398 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454337669 310304210 /nfs/dbraw/zinc/30/42/10/310304210.db2.gz YFHJCJVOGFRTEP-HOTGVXAUSA-N 2 2 346.519 3.256 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)[nH+]1 ZINC000455464604 310361948 /nfs/dbraw/zinc/36/19/48/310361948.db2.gz DSZVGIGEPVZNFZ-UHFFFAOYSA-N 2 2 330.476 3.489 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1Sc1ccccc1 ZINC000459497200 310556586 /nfs/dbraw/zinc/55/65/86/310556586.db2.gz IMMIJCUWRPJFFH-NOCIGQNYSA-N 2 2 343.496 3.126 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482219626 310928513 /nfs/dbraw/zinc/92/85/13/310928513.db2.gz KYEBVHGCELVXHC-UHFFFAOYSA-N 2 2 338.879 3.481 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCCC3CCCCC3)[nH+]c2)CC1 ZINC000483320902 310947772 /nfs/dbraw/zinc/94/77/72/310947772.db2.gz OIUYJAAQVDTMLJ-UHFFFAOYSA-N 2 2 330.520 3.416 20 0 EGADLP C[NH+](C)Cc1ccccc1C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000486943393 311003136 /nfs/dbraw/zinc/00/31/36/311003136.db2.gz UIAZRZOZBOHVKJ-UHFFFAOYSA-N 2 2 334.423 3.068 20 0 EGADLP CC(C)Oc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1Cl ZINC000492272055 311232282 /nfs/dbraw/zinc/23/22/82/311232282.db2.gz HTEXPZVSTXSEGU-UHFFFAOYSA-N 2 2 348.878 3.183 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000492751679 311287147 /nfs/dbraw/zinc/28/71/47/311287147.db2.gz YUAMLAJNGWROJG-DOTOQJQBSA-N 2 2 349.519 3.159 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000492751679 311287148 /nfs/dbraw/zinc/28/71/48/311287148.db2.gz YUAMLAJNGWROJG-DOTOQJQBSA-N 2 2 349.519 3.159 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506483212 312050425 /nfs/dbraw/zinc/05/04/25/312050425.db2.gz UYWPYESJDVUYDL-QYZOEREBSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506483212 312050427 /nfs/dbraw/zinc/05/04/27/312050427.db2.gz UYWPYESJDVUYDL-QYZOEREBSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506483212 312050429 /nfs/dbraw/zinc/05/04/29/312050429.db2.gz UYWPYESJDVUYDL-QYZOEREBSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506483212 312050431 /nfs/dbraw/zinc/05/04/31/312050431.db2.gz UYWPYESJDVUYDL-QYZOEREBSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)c1 ZINC000510470537 312141413 /nfs/dbraw/zinc/14/14/13/312141413.db2.gz CMUITMMGECKHEB-UHFFFAOYSA-N 2 2 325.456 3.499 20 0 EGADLP CCN1CC[NH+](C[C@@H](C)CNc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000514859935 312250032 /nfs/dbraw/zinc/25/00/32/312250032.db2.gz SCGSYZDYDPDENT-KRWDZBQOSA-N 2 2 326.488 3.229 20 0 EGADLP CC[NH+]1CCN(C[C@@H](C)CNc2[nH+]ccc3ccc(C)cc32)CC1 ZINC000514859935 312250034 /nfs/dbraw/zinc/25/00/34/312250034.db2.gz SCGSYZDYDPDENT-KRWDZBQOSA-N 2 2 326.488 3.229 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000515853642 312300675 /nfs/dbraw/zinc/30/06/75/312300675.db2.gz CMXSFQVAHRKPTQ-HNNXBMFYSA-N 2 2 338.467 3.301 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000515853642 312300677 /nfs/dbraw/zinc/30/06/77/312300677.db2.gz CMXSFQVAHRKPTQ-HNNXBMFYSA-N 2 2 338.467 3.301 20 0 EGADLP CC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517125921 312364592 /nfs/dbraw/zinc/36/45/92/312364592.db2.gz CRKHIZPXYUQIAE-FQEVSTJZSA-N 2 2 335.451 3.459 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)n1cc[nH+]c1 ZINC000520589680 312512577 /nfs/dbraw/zinc/51/25/77/312512577.db2.gz COEMUSOMBFVWGW-MRXNPFEDSA-N 2 2 326.444 3.111 20 0 EGADLP O=C(NCC1CC[NH2+]CC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000521040638 312529138 /nfs/dbraw/zinc/52/91/38/312529138.db2.gz SGULGHADHTVYAM-UHFFFAOYSA-N 2 2 345.830 3.257 20 0 EGADLP C/C(Cl)=C\C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000528510110 313108763 /nfs/dbraw/zinc/10/87/63/313108763.db2.gz XABNJPWGIQBIQO-CQXYXCHQSA-N 2 2 333.907 3.021 20 0 EGADLP C/C(Cl)=C\C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000528510110 313108764 /nfs/dbraw/zinc/10/87/64/313108764.db2.gz XABNJPWGIQBIQO-CQXYXCHQSA-N 2 2 333.907 3.021 20 0 EGADLP CC1CC[NH+](C2CCC(Nc3[nH+]c4ccccc4n3C)CC2)CC1 ZINC000534978556 314009364 /nfs/dbraw/zinc/00/93/64/314009364.db2.gz FJHQRJFYJPBSJO-UHFFFAOYSA-N 2 2 326.488 3.450 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000535316394 314039875 /nfs/dbraw/zinc/03/98/75/314039875.db2.gz CCDATIUERMCAFP-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000535316394 314039878 /nfs/dbraw/zinc/03/98/78/314039878.db2.gz CCDATIUERMCAFP-CYBMUJFWSA-N 2 2 343.818 3.113 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000535405884 314044474 /nfs/dbraw/zinc/04/44/74/314044474.db2.gz PEYZVRWJZOHHIY-MRXNPFEDSA-N 2 2 344.528 3.293 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000535405884 314044478 /nfs/dbraw/zinc/04/44/78/314044478.db2.gz PEYZVRWJZOHHIY-MRXNPFEDSA-N 2 2 344.528 3.293 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000535757919 314069719 /nfs/dbraw/zinc/06/97/19/314069719.db2.gz DFINTXMIQJRQCG-CYBMUJFWSA-N 2 2 339.361 3.307 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000535757919 314069721 /nfs/dbraw/zinc/06/97/21/314069721.db2.gz DFINTXMIQJRQCG-CYBMUJFWSA-N 2 2 339.361 3.307 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000536067620 314092684 /nfs/dbraw/zinc/09/26/84/314092684.db2.gz UWEVNPZNCZZXJW-GOSISDBHSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000536067620 314092689 /nfs/dbraw/zinc/09/26/89/314092689.db2.gz UWEVNPZNCZZXJW-GOSISDBHSA-N 2 2 348.450 3.384 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695386 314139092 /nfs/dbraw/zinc/13/90/92/314139092.db2.gz AKBTUBIOSLBEIO-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695386 314139094 /nfs/dbraw/zinc/13/90/94/314139094.db2.gz AKBTUBIOSLBEIO-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695386 314139098 /nfs/dbraw/zinc/13/90/98/314139098.db2.gz AKBTUBIOSLBEIO-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)c1)O[C@@H](C)C2 ZINC000536695386 314139099 /nfs/dbraw/zinc/13/90/99/314139099.db2.gz AKBTUBIOSLBEIO-DOTOQJQBSA-N 2 2 344.499 3.182 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000543447978 314629503 /nfs/dbraw/zinc/62/95/03/314629503.db2.gz KWLZJAPFGLZPCB-SFTDATJTSA-N 2 2 326.484 3.445 20 0 EGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000543747933 314652985 /nfs/dbraw/zinc/65/29/85/314652985.db2.gz SHPBZJVJYQXANR-QGZVFWFLSA-N 2 2 348.406 3.414 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000548460698 315012722 /nfs/dbraw/zinc/01/27/22/315012722.db2.gz FFYSDYSXEJXNMV-LJQANCHMSA-N 2 2 348.450 3.038 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000548460698 315012724 /nfs/dbraw/zinc/01/27/24/315012724.db2.gz FFYSDYSXEJXNMV-LJQANCHMSA-N 2 2 348.450 3.038 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904062 315061625 /nfs/dbraw/zinc/06/16/25/315061625.db2.gz LCYQGQAPGZQNKL-INIZCTEOSA-N 2 2 339.439 3.478 20 0 EGADLP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000548904062 315061629 /nfs/dbraw/zinc/06/16/29/315061629.db2.gz LCYQGQAPGZQNKL-INIZCTEOSA-N 2 2 339.439 3.478 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CC[C@@H](CC4CC4)C3)CC2)cc1 ZINC000550037710 315114434 /nfs/dbraw/zinc/11/44/34/315114434.db2.gz WOFUGJGUNZLIDM-FQEVSTJZSA-N 2 2 327.516 3.321 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CC[C@@H](CC4CC4)C3)CC2)cc1 ZINC000550037710 315114437 /nfs/dbraw/zinc/11/44/37/315114437.db2.gz WOFUGJGUNZLIDM-FQEVSTJZSA-N 2 2 327.516 3.321 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921647 315137739 /nfs/dbraw/zinc/13/77/39/315137739.db2.gz WHAMDYXNRXOTKO-KSSFIOAISA-N 2 2 346.544 3.126 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921647 315137740 /nfs/dbraw/zinc/13/77/40/315137740.db2.gz WHAMDYXNRXOTKO-KSSFIOAISA-N 2 2 346.544 3.126 20 0 EGADLP COc1ccc2nc(C[NH2+]Cc3c[nH+]c4n3CCCC4)sc2c1 ZINC000551568676 315159249 /nfs/dbraw/zinc/15/92/49/315159249.db2.gz AFDPENBMMVSEDM-UHFFFAOYSA-N 2 2 328.441 3.128 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000552381560 315217116 /nfs/dbraw/zinc/21/71/16/315217116.db2.gz UMJBEWHJESVVCL-PWIZWCRZSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000552381560 315217118 /nfs/dbraw/zinc/21/71/18/315217118.db2.gz UMJBEWHJESVVCL-PWIZWCRZSA-N 2 2 337.467 3.028 20 0 EGADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560054 315225387 /nfs/dbraw/zinc/22/53/87/315225387.db2.gz DUZLBDXWXRPIOQ-VQTJNVASSA-N 2 2 344.547 3.350 20 0 EGADLP CC(C)C[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000552560054 315225390 /nfs/dbraw/zinc/22/53/90/315225390.db2.gz DUZLBDXWXRPIOQ-VQTJNVASSA-N 2 2 344.547 3.350 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000558621164 315584740 /nfs/dbraw/zinc/58/47/40/315584740.db2.gz PAGWUVJHLORIDP-VQIMIIECSA-N 2 2 329.488 3.156 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc2cccnc12 ZINC000563429114 316020348 /nfs/dbraw/zinc/02/03/48/316020348.db2.gz PHRUGANGAXJZBX-FQEVSTJZSA-N 2 2 339.483 3.230 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc2cccnc12 ZINC000563429114 316020349 /nfs/dbraw/zinc/02/03/49/316020349.db2.gz PHRUGANGAXJZBX-FQEVSTJZSA-N 2 2 339.483 3.230 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000563724125 316061852 /nfs/dbraw/zinc/06/18/52/316061852.db2.gz SAPGDEMSCBXJIK-HNNXBMFYSA-N 2 2 344.421 3.197 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000563724125 316061856 /nfs/dbraw/zinc/06/18/56/316061856.db2.gz SAPGDEMSCBXJIK-HNNXBMFYSA-N 2 2 344.421 3.197 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008871 316101797 /nfs/dbraw/zinc/10/17/97/316101797.db2.gz RJCVJHABGHOLLW-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008871 316101799 /nfs/dbraw/zinc/10/17/99/316101799.db2.gz RJCVJHABGHOLLW-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008871 316101802 /nfs/dbraw/zinc/10/18/02/316101802.db2.gz RJCVJHABGHOLLW-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008871 316101804 /nfs/dbraw/zinc/10/18/04/316101804.db2.gz RJCVJHABGHOLLW-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144182 316117476 /nfs/dbraw/zinc/11/74/76/316117476.db2.gz LJHSWMHVLCFXHW-OXJNMPFZSA-N 2 2 341.499 3.492 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144182 316117478 /nfs/dbraw/zinc/11/74/78/316117478.db2.gz LJHSWMHVLCFXHW-OXJNMPFZSA-N 2 2 341.499 3.492 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CCC(F)(F)C3)c2cc1C ZINC000564320003 316135223 /nfs/dbraw/zinc/13/52/23/316135223.db2.gz SOGALTWCWDRILV-CABCVRRESA-N 2 2 337.414 3.039 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000565054633 316257392 /nfs/dbraw/zinc/25/73/92/316257392.db2.gz PZLNITJJCHGFIW-FQEVSTJZSA-N 2 2 338.455 3.485 20 0 EGADLP CC(C)(NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1[nH]cc[nH+]1 ZINC000565106983 316267067 /nfs/dbraw/zinc/26/70/67/316267067.db2.gz IYEVNBZYMUZYSQ-UHFFFAOYSA-N 2 2 326.444 3.061 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1C ZINC000565241172 316296853 /nfs/dbraw/zinc/29/68/53/316296853.db2.gz AFWMYNUVNXVHSK-IAGOWNOFSA-N 3 2 340.515 3.496 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@H](O)COCC(C)C)ccc2n1C1CC1 ZINC000565712391 316360582 /nfs/dbraw/zinc/36/05/82/316360582.db2.gz VEFQEXYONDUGEC-KRWDZBQOSA-N 2 2 345.487 3.057 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000570520378 317067761 /nfs/dbraw/zinc/06/77/61/317067761.db2.gz WCXODOWGPPTYDQ-IBGZPJMESA-N 2 2 332.463 3.030 20 0 EGADLP CCC[N@H+](C)[C@@H](C[NH2+]C[C@@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040504 317142981 /nfs/dbraw/zinc/14/29/81/317142981.db2.gz FUTZDGUPHNAJHI-CVEARBPZSA-N 2 2 330.925 3.036 20 0 EGADLP CCC[N@@H+](C)[C@@H](C[NH2+]C[C@@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040504 317142983 /nfs/dbraw/zinc/14/29/83/317142983.db2.gz FUTZDGUPHNAJHI-CVEARBPZSA-N 2 2 330.925 3.036 20 0 EGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000571073230 317147255 /nfs/dbraw/zinc/14/72/55/317147255.db2.gz IRTWWIFANIDFMA-XJKSGUPXSA-N 2 2 331.439 3.011 20 0 EGADLP CCOc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1OC(F)F ZINC000571538643 317214706 /nfs/dbraw/zinc/21/47/06/317214706.db2.gz RWYKCZGYILJZJM-UHFFFAOYSA-N 2 2 325.359 3.018 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)CC(=O)N(C)C)[NH+](CC)CC)cc1 ZINC000573584476 317506238 /nfs/dbraw/zinc/50/62/38/317506238.db2.gz LDXQQLNSHYEGEZ-LPHOPBHVSA-N 2 2 333.520 3.088 20 0 EGADLP C[NH+](C)Cc1ccnc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000573624303 317510519 /nfs/dbraw/zinc/51/05/19/317510519.db2.gz VUNLZDYELRGCBE-KRWDZBQOSA-N 2 2 346.862 3.038 20 0 EGADLP CC(C)CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000178601321 323358453 /nfs/dbraw/zinc/35/84/53/323358453.db2.gz ZICFZHDCSTXWEM-UXHICEINSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)s1)C[NH+]1CCCC1 ZINC000179207642 323374410 /nfs/dbraw/zinc/37/44/10/323374410.db2.gz JOBNNSGPIIQTLR-QWRGUYRKSA-N 2 2 332.311 3.288 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136122 324296111 /nfs/dbraw/zinc/29/61/11/324296111.db2.gz LAMICFOTHMPYEI-WMZOPIPTSA-N 2 2 334.467 3.318 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000398136122 324296118 /nfs/dbraw/zinc/29/61/18/324296118.db2.gz LAMICFOTHMPYEI-WMZOPIPTSA-N 2 2 334.467 3.318 20 0 EGADLP C[NH+](C)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000577774112 324864460 /nfs/dbraw/zinc/86/44/60/324864460.db2.gz LBAQZSBSESGPSA-UHFFFAOYSA-N 3 2 347.522 3.297 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)n1C ZINC000579733668 325152943 /nfs/dbraw/zinc/15/29/43/325152943.db2.gz FYJJDDLBPOGFAK-UHFFFAOYSA-N 3 2 346.906 3.384 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000580431763 325249472 /nfs/dbraw/zinc/24/94/72/325249472.db2.gz AAYORDDFEYJVQV-KHYOSLBOSA-N 2 2 338.455 3.125 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000580708779 325286623 /nfs/dbraw/zinc/28/66/23/325286623.db2.gz XZUHCONGSCOFTA-YRPNKDGESA-N 2 2 332.488 3.019 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)Cc1ccccc1)[NH+](C)C ZINC000580829522 325300069 /nfs/dbraw/zinc/30/00/69/325300069.db2.gz PIBKLLUPVFEYQB-CUWPLCDZSA-N 2 2 326.484 3.179 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000581195752 325340546 /nfs/dbraw/zinc/34/05/46/325340546.db2.gz UJEKIALUHQYTSR-PKOBYXMFSA-N 2 2 340.471 3.096 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@H](C)[C@@H](C)C3)c2cc1C ZINC000583786684 325550780 /nfs/dbraw/zinc/55/07/80/325550780.db2.gz LEDGBIAGFXOFIA-LBTBCDHLSA-N 2 2 329.488 3.428 20 0 EGADLP Fc1c(Br)cccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000395027585 457474818 /nfs/dbraw/zinc/47/48/18/457474818.db2.gz VLNWQJCEHLONSR-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP CO[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000352752779 457582701 /nfs/dbraw/zinc/58/27/01/457582701.db2.gz YUJPSNPFBYDUAR-HNNXBMFYSA-N 2 2 339.892 3.335 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000264506903 455226771 /nfs/dbraw/zinc/22/67/71/455226771.db2.gz WTOFUQSVWJDLOF-LJQANCHMSA-N 2 2 331.504 3.059 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000183127181 455234419 /nfs/dbraw/zinc/23/44/19/455234419.db2.gz QFUGTYDGIAKUMH-IEBWSBKVSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000183127181 455234421 /nfs/dbraw/zinc/23/44/21/455234421.db2.gz QFUGTYDGIAKUMH-IEBWSBKVSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C2CCCCC2)n1 ZINC000183127181 455234423 /nfs/dbraw/zinc/23/44/23/455234423.db2.gz QFUGTYDGIAKUMH-IEBWSBKVSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C2CCCCC2)n1 ZINC000183127181 455234425 /nfs/dbraw/zinc/23/44/25/455234425.db2.gz QFUGTYDGIAKUMH-IEBWSBKVSA-N 2 2 330.520 3.384 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550266 458408086 /nfs/dbraw/zinc/40/80/86/458408086.db2.gz HQNOWEVXIFDIIG-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550266 458408091 /nfs/dbraw/zinc/40/80/91/458408091.db2.gz HQNOWEVXIFDIIG-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550266 458408096 /nfs/dbraw/zinc/40/80/96/458408096.db2.gz HQNOWEVXIFDIIG-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550266 458408100 /nfs/dbraw/zinc/40/81/00/458408100.db2.gz HQNOWEVXIFDIIG-JSGCOSHPSA-N 2 2 339.277 3.071 20 0 EGADLP Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(C)[nH+]1 ZINC000180971120 455271095 /nfs/dbraw/zinc/27/10/95/455271095.db2.gz BXYWWKBQUVBGIJ-UHFFFAOYSA-N 2 2 339.443 3.132 20 0 EGADLP CC(C)Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000183294930 455273057 /nfs/dbraw/zinc/27/30/57/455273057.db2.gz ANURXJWNTZUBNF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000183294930 455273062 /nfs/dbraw/zinc/27/30/62/455273062.db2.gz ANURXJWNTZUBNF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000183294930 455273067 /nfs/dbraw/zinc/27/30/67/455273067.db2.gz ANURXJWNTZUBNF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000183294930 455273074 /nfs/dbraw/zinc/27/30/74/455273074.db2.gz ANURXJWNTZUBNF-FQEVSTJZSA-N 2 2 340.515 3.493 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000158145452 455273546 /nfs/dbraw/zinc/27/35/46/455273546.db2.gz WYIUMJMBSNYZSX-MRXNPFEDSA-N 3 2 335.923 3.236 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000158145452 455273551 /nfs/dbraw/zinc/27/35/51/455273551.db2.gz WYIUMJMBSNYZSX-MRXNPFEDSA-N 3 2 335.923 3.236 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181109078 455289378 /nfs/dbraw/zinc/28/93/78/455289378.db2.gz VPQMDAXGKKBIIX-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245452298 455304360 /nfs/dbraw/zinc/30/43/60/455304360.db2.gz QGTGZVJXZVFIJI-MOPGFXCFSA-N 2 2 343.515 3.236 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245452298 455304365 /nfs/dbraw/zinc/30/43/65/455304365.db2.gz QGTGZVJXZVFIJI-MOPGFXCFSA-N 2 2 343.515 3.236 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190597813 455350012 /nfs/dbraw/zinc/35/00/12/455350012.db2.gz HXMYIMRFQZVJDK-CQSZACIVSA-N 2 2 347.322 3.130 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190597813 455350018 /nfs/dbraw/zinc/35/00/18/455350018.db2.gz HXMYIMRFQZVJDK-CQSZACIVSA-N 2 2 347.322 3.130 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccsc3Cl)C2)CC1 ZINC000616730206 460606755 /nfs/dbraw/zinc/60/67/55/460606755.db2.gz PWKPSLVBRQSOSJ-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccsc3Cl)C2)CC1 ZINC000616730206 460606762 /nfs/dbraw/zinc/60/67/62/460606762.db2.gz PWKPSLVBRQSOSJ-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000623573025 460618397 /nfs/dbraw/zinc/61/83/97/460618397.db2.gz VEOYVCBGGAJHNJ-CYBMUJFWSA-N 2 2 334.407 3.110 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516258 453880859 /nfs/dbraw/zinc/88/08/59/453880859.db2.gz XRYIHIUPTJLBJY-LPHOPBHVSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516258 453880863 /nfs/dbraw/zinc/88/08/63/453880863.db2.gz XRYIHIUPTJLBJY-LPHOPBHVSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516258 453880864 /nfs/dbraw/zinc/88/08/64/453880864.db2.gz XRYIHIUPTJLBJY-LPHOPBHVSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516258 453880868 /nfs/dbraw/zinc/88/08/68/453880868.db2.gz XRYIHIUPTJLBJY-LPHOPBHVSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572573 453889685 /nfs/dbraw/zinc/88/96/85/453889685.db2.gz BWEUVVDSXJMGCH-OALUTQOASA-N 2 2 345.531 3.006 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572573 453889689 /nfs/dbraw/zinc/88/96/89/453889689.db2.gz BWEUVVDSXJMGCH-OALUTQOASA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572573 453889692 /nfs/dbraw/zinc/88/96/92/453889692.db2.gz BWEUVVDSXJMGCH-OALUTQOASA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572573 453889695 /nfs/dbraw/zinc/88/96/95/453889695.db2.gz BWEUVVDSXJMGCH-OALUTQOASA-N 2 2 345.531 3.006 20 0 EGADLP Cc1cc(N2CC[NH+]([C@H](C)c3ccncc3)CC2)nc(C(C)C)[nH+]1 ZINC000067715973 453960097 /nfs/dbraw/zinc/96/00/97/453960097.db2.gz XHGYWHJXOMVDAG-MRXNPFEDSA-N 2 2 325.460 3.187 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000042933739 454032460 /nfs/dbraw/zinc/03/24/60/454032460.db2.gz MVGGZZIPBNFCLN-SFHVURJKSA-N 2 2 336.439 3.342 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000042933739 454032461 /nfs/dbraw/zinc/03/24/61/454032461.db2.gz MVGGZZIPBNFCLN-SFHVURJKSA-N 2 2 336.439 3.342 20 0 EGADLP Cc1ccc2[nH+]c(CNC(=O)Nc3cccc(C[NH+](C)C)c3)cn2c1 ZINC000056600991 454069840 /nfs/dbraw/zinc/06/98/40/454069840.db2.gz WYPOQLWCCQJDSB-UHFFFAOYSA-N 2 2 337.427 3.026 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cnccn1 ZINC000184590683 455409449 /nfs/dbraw/zinc/40/94/49/455409449.db2.gz HWPVSRKLBHTGGB-MRXNPFEDSA-N 2 2 325.460 3.171 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cnccn1 ZINC000184590683 455409458 /nfs/dbraw/zinc/40/94/58/455409458.db2.gz HWPVSRKLBHTGGB-MRXNPFEDSA-N 2 2 325.460 3.171 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000057154831 454107645 /nfs/dbraw/zinc/10/76/45/454107645.db2.gz FWCDIEXXSOCRNE-IBGZPJMESA-N 2 2 334.423 3.474 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000057154831 454107649 /nfs/dbraw/zinc/10/76/49/454107649.db2.gz FWCDIEXXSOCRNE-IBGZPJMESA-N 2 2 334.423 3.474 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634951743 460627329 /nfs/dbraw/zinc/62/73/29/460627329.db2.gz FPUXPGZEWRKCJC-LJQANCHMSA-N 2 2 332.451 3.384 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccc4nccnc4c3)C2)cc1 ZINC000634951743 460627334 /nfs/dbraw/zinc/62/73/34/460627334.db2.gz FPUXPGZEWRKCJC-LJQANCHMSA-N 2 2 332.451 3.384 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccccc1Br ZINC000090047457 454266727 /nfs/dbraw/zinc/26/67/27/454266727.db2.gz SLTWCSTYJXKDQS-KGLIPLIRSA-N 2 2 341.293 3.211 20 0 EGADLP CCc1cc(N2CC[C@H]([NH+](CC)CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000078575277 454278366 /nfs/dbraw/zinc/27/83/66/454278366.db2.gz PHTQMSUTLDTULS-KRWDZBQOSA-N 2 2 325.460 3.022 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000090468873 454310182 /nfs/dbraw/zinc/31/01/82/454310182.db2.gz VWGBFDLIDLZZPG-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cncc(F)c1 ZINC000090667146 454334755 /nfs/dbraw/zinc/33/47/55/454334755.db2.gz VNFIUUBUUHCFMJ-HUUCEWRRSA-N 2 2 328.435 3.492 20 0 EGADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000078937109 454340286 /nfs/dbraw/zinc/34/02/86/454340286.db2.gz NOKNPIIDYIDQEH-KRWDZBQOSA-N 2 2 341.459 3.035 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1COc2ccccc21 ZINC000090845597 454344787 /nfs/dbraw/zinc/34/47/87/454344787.db2.gz IPTOYJLWSJNJDZ-UZLBHIALSA-N 2 2 337.467 3.200 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000090847470 454345533 /nfs/dbraw/zinc/34/55/33/454345533.db2.gz PQCGVTYSVWRRBE-MRXNPFEDSA-N 2 2 344.455 3.317 20 0 EGADLP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936789 454351649 /nfs/dbraw/zinc/35/16/49/454351649.db2.gz GIUNQLDHFWJQJY-JKIFEVAISA-N 2 2 328.859 3.487 20 0 EGADLP CC[C@@H](COC)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936789 454351652 /nfs/dbraw/zinc/35/16/52/454351652.db2.gz GIUNQLDHFWJQJY-JKIFEVAISA-N 2 2 328.859 3.487 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+]C1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000132931357 454378836 /nfs/dbraw/zinc/37/88/36/454378836.db2.gz YWLZCSWXJOQHHO-JOCHJYFZSA-N 2 2 337.511 3.418 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000121347784 454424320 /nfs/dbraw/zinc/42/43/20/454424320.db2.gz HLFORMGHBZBBIH-HNNXBMFYSA-N 2 2 338.455 3.360 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000073381195 454430216 /nfs/dbraw/zinc/43/02/16/454430216.db2.gz MJEAFKAHHBTDFR-UHFFFAOYSA-N 2 2 338.499 3.265 20 0 EGADLP O[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000098144173 454462359 /nfs/dbraw/zinc/46/23/59/454462359.db2.gz TVOBIOZZDGOXNB-YADHBBJMSA-N 2 2 336.479 3.147 20 0 EGADLP O[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000098144173 454462362 /nfs/dbraw/zinc/46/23/62/454462362.db2.gz TVOBIOZZDGOXNB-YADHBBJMSA-N 2 2 336.479 3.147 20 0 EGADLP CCCn1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000092066191 454511867 /nfs/dbraw/zinc/51/18/67/454511867.db2.gz JGDYCAGXACKXEB-XLIONFOSSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000092066191 454511873 /nfs/dbraw/zinc/51/18/73/454511873.db2.gz JGDYCAGXACKXEB-XLIONFOSSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000092066191 454511878 /nfs/dbraw/zinc/51/18/78/454511878.db2.gz JGDYCAGXACKXEB-XLIONFOSSA-N 2 2 330.520 3.359 20 0 EGADLP CCCn1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000092066191 454511881 /nfs/dbraw/zinc/51/18/81/454511881.db2.gz JGDYCAGXACKXEB-XLIONFOSSA-N 2 2 330.520 3.359 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)CCO1 ZINC000092079659 454518686 /nfs/dbraw/zinc/51/86/86/454518686.db2.gz QOVGUVFISWRUEU-KRWDZBQOSA-N 2 2 344.499 3.161 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)CCO1 ZINC000092079659 454518689 /nfs/dbraw/zinc/51/86/89/454518689.db2.gz QOVGUVFISWRUEU-KRWDZBQOSA-N 2 2 344.499 3.161 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080191161 454547874 /nfs/dbraw/zinc/54/78/74/454547874.db2.gz FWXXBSWSZSNTQX-UHFFFAOYSA-N 3 2 328.504 3.329 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080191161 454547881 /nfs/dbraw/zinc/54/78/81/454547881.db2.gz FWXXBSWSZSNTQX-UHFFFAOYSA-N 3 2 328.504 3.329 20 0 EGADLP COc1ccsc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645191 454599882 /nfs/dbraw/zinc/59/98/82/454599882.db2.gz NYKBRBJSCWHEAL-UHFFFAOYSA-N 2 2 345.512 3.291 20 0 EGADLP COc1ccsc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645191 454599888 /nfs/dbraw/zinc/59/98/88/454599888.db2.gz NYKBRBJSCWHEAL-UHFFFAOYSA-N 2 2 345.512 3.291 20 0 EGADLP Fc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OC(F)F ZINC000092648394 454600021 /nfs/dbraw/zinc/60/00/21/454600021.db2.gz FWUZWXVSHYJARZ-UHFFFAOYSA-N 2 2 325.334 3.461 20 0 EGADLP c1ccc(-c2noc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134875284 454601273 /nfs/dbraw/zinc/60/12/73/454601273.db2.gz HYVCVNDJZBXZKF-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2noc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134875284 454601275 /nfs/dbraw/zinc/60/12/75/454601275.db2.gz HYVCVNDJZBXZKF-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134875284 454601277 /nfs/dbraw/zinc/60/12/77/454601277.db2.gz HYVCVNDJZBXZKF-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134875284 454601279 /nfs/dbraw/zinc/60/12/79/454601279.db2.gz HYVCVNDJZBXZKF-AEFFLSMTSA-N 2 2 338.455 3.185 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc(=O)oc2c1 ZINC000080959990 454657963 /nfs/dbraw/zinc/65/79/63/454657963.db2.gz ABKMOOXNQNSYIX-HNNXBMFYSA-N 2 2 337.423 3.458 20 0 EGADLP CCc1ccc2c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc(=O)oc2c1 ZINC000080959990 454657968 /nfs/dbraw/zinc/65/79/68/454657968.db2.gz ABKMOOXNQNSYIX-HNNXBMFYSA-N 2 2 337.423 3.458 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)c1 ZINC000093079127 454678851 /nfs/dbraw/zinc/67/88/51/454678851.db2.gz URUOKUAKJQHKCV-WMLDXEAASA-N 2 2 327.428 3.129 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000106216575 454686906 /nfs/dbraw/zinc/68/69/06/454686906.db2.gz QTXCFXPWLOYAGG-WMZOPIPTSA-N 2 2 340.471 3.418 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000106216575 454686909 /nfs/dbraw/zinc/68/69/09/454686909.db2.gz QTXCFXPWLOYAGG-WMZOPIPTSA-N 2 2 340.471 3.418 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1OC ZINC000093604574 454723864 /nfs/dbraw/zinc/72/38/64/454723864.db2.gz VWXUKTSVBFNBSH-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1OC ZINC000093604574 454723868 /nfs/dbraw/zinc/72/38/68/454723868.db2.gz VWXUKTSVBFNBSH-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP C[N@H+](CCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161826413 454726481 /nfs/dbraw/zinc/72/64/81/454726481.db2.gz SUCPUDIFSXVCFK-UHFFFAOYSA-N 3 2 329.532 3.459 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000161826413 454726485 /nfs/dbraw/zinc/72/64/85/454726485.db2.gz SUCPUDIFSXVCFK-UHFFFAOYSA-N 3 2 329.532 3.459 20 0 EGADLP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865871 454741668 /nfs/dbraw/zinc/74/16/68/454741668.db2.gz GRQZXXNPOLXGFB-OAHLLOKOSA-N 2 2 326.425 3.187 20 0 EGADLP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865871 454741671 /nfs/dbraw/zinc/74/16/71/454741671.db2.gz GRQZXXNPOLXGFB-OAHLLOKOSA-N 2 2 326.425 3.187 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)nc4ccccc34)CC2)c1 ZINC000124552902 454746957 /nfs/dbraw/zinc/74/69/57/454746957.db2.gz KTNGCFMXOHKMNL-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124749256 454766455 /nfs/dbraw/zinc/76/64/55/454766455.db2.gz HEVAFKFCCFIERM-YTQUADARSA-N 2 2 337.552 3.218 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124749256 454766458 /nfs/dbraw/zinc/76/64/58/454766458.db2.gz HEVAFKFCCFIERM-YTQUADARSA-N 2 2 337.552 3.218 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000125497094 454826487 /nfs/dbraw/zinc/82/64/87/454826487.db2.gz NCAUGFFLBZUOPS-SFHVURJKSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000125497094 454826489 /nfs/dbraw/zinc/82/64/89/454826489.db2.gz NCAUGFFLBZUOPS-SFHVURJKSA-N 2 2 335.398 3.323 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C3Cc4ccccc4C3)c2cc1C ZINC000141298707 454828366 /nfs/dbraw/zinc/82/83/66/454828366.db2.gz VFULCGRATDNOCP-FQEVSTJZSA-N 2 2 349.478 3.113 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C3Cc4ccccc4C3)c2cc1C ZINC000141298707 454828369 /nfs/dbraw/zinc/82/83/69/454828369.db2.gz VFULCGRATDNOCP-FQEVSTJZSA-N 2 2 349.478 3.113 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000125534494 454830704 /nfs/dbraw/zinc/83/07/04/454830704.db2.gz DHOFVCDJPBBNAE-UHFFFAOYSA-N 2 2 337.471 3.349 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000125534494 454830709 /nfs/dbraw/zinc/83/07/09/454830709.db2.gz DHOFVCDJPBBNAE-UHFFFAOYSA-N 2 2 337.471 3.349 20 0 EGADLP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000163335367 454840165 /nfs/dbraw/zinc/84/01/65/454840165.db2.gz YAVSDWNZJUPASS-UONOGXRCSA-N 2 2 334.489 3.039 20 0 EGADLP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000163335367 454840167 /nfs/dbraw/zinc/84/01/67/454840167.db2.gz YAVSDWNZJUPASS-UONOGXRCSA-N 2 2 334.489 3.039 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110821486 454853653 /nfs/dbraw/zinc/85/36/53/454853653.db2.gz FIXLMMUNFDGNRH-LRDDRELGSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000163823195 454865359 /nfs/dbraw/zinc/86/53/59/454865359.db2.gz YGPYQCJFYLHYHN-OAHLLOKOSA-N 2 2 340.427 3.191 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000163845805 454866571 /nfs/dbraw/zinc/86/65/71/454866571.db2.gz YQJLANYQHWRRBH-QGZVFWFLSA-N 2 2 335.455 3.479 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H](C)C1 ZINC000164332612 454880854 /nfs/dbraw/zinc/88/08/54/454880854.db2.gz XXPKVAYFRNFNHD-QUCCMNQESA-N 2 2 340.515 3.336 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H](C)C1 ZINC000164332612 454880858 /nfs/dbraw/zinc/88/08/58/454880858.db2.gz XXPKVAYFRNFNHD-QUCCMNQESA-N 2 2 340.515 3.336 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177669804 454889844 /nfs/dbraw/zinc/88/98/44/454889844.db2.gz MILNOVXARFTYBQ-IBGZPJMESA-N 2 2 336.439 3.034 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000165827888 454905002 /nfs/dbraw/zinc/90/50/02/454905002.db2.gz PQCNYQCNDBZQAX-JKSUJKDBSA-N 2 2 338.455 3.342 20 0 EGADLP COc1ccc(C)[nH+]c1NCc1c[nH+]c2ccc(Br)cn12 ZINC000150978640 454920897 /nfs/dbraw/zinc/92/08/97/454920897.db2.gz SEZQSFSZXKMNPN-UHFFFAOYSA-N 2 2 347.216 3.421 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000151027004 454927215 /nfs/dbraw/zinc/92/72/15/454927215.db2.gz CIAOYVNTPXAEEL-UHFFFAOYSA-N 2 2 348.491 3.120 20 0 EGADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000178057323 454931491 /nfs/dbraw/zinc/93/14/91/454931491.db2.gz UZHVDTFXKXBSKG-LJQANCHMSA-N 2 2 348.450 3.005 20 0 EGADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178057323 454931494 /nfs/dbraw/zinc/93/14/94/454931494.db2.gz UZHVDTFXKXBSKG-LJQANCHMSA-N 2 2 348.450 3.005 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[C@@H]1CCOC1 ZINC000154864974 454937853 /nfs/dbraw/zinc/93/78/53/454937853.db2.gz IXHJIUZPEBWMOK-RLLQIKCJSA-N 2 2 332.488 3.237 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc3ccccc3n2)C1 ZINC000178332834 454949732 /nfs/dbraw/zinc/94/97/32/454949732.db2.gz CUNBTAFJABJBHQ-FUHWJXTLSA-N 2 2 327.472 3.242 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)cn2)c[nH+]1 ZINC000155095150 454962133 /nfs/dbraw/zinc/96/21/33/454962133.db2.gz OAWZNPVMHDIXRS-IBGZPJMESA-N 2 2 333.439 3.344 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)cn2)c[nH+]1 ZINC000155095150 454962137 /nfs/dbraw/zinc/96/21/37/454962137.db2.gz OAWZNPVMHDIXRS-IBGZPJMESA-N 2 2 333.439 3.344 20 0 EGADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000115439808 455015297 /nfs/dbraw/zinc/01/52/97/455015297.db2.gz RDRLSGKRRGAPOJ-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000115439808 455015302 /nfs/dbraw/zinc/01/53/02/455015302.db2.gz RDRLSGKRRGAPOJ-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP Brc1cccc(OCC[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000179419929 455046145 /nfs/dbraw/zinc/04/61/45/455046145.db2.gz CAILDMYKCBLOOC-UHFFFAOYSA-N 2 2 346.228 3.265 20 0 EGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000179435195 455047348 /nfs/dbraw/zinc/04/73/48/455047348.db2.gz HISNGLXOGDGHKD-MRXNPFEDSA-N 2 2 335.455 3.126 20 0 EGADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000179435204 455047460 /nfs/dbraw/zinc/04/74/60/455047460.db2.gz HISNGLXOGDGHKD-INIZCTEOSA-N 2 2 335.455 3.126 20 0 EGADLP c1cn2c(cccc2C[NH2+]CCc2nc(-c3ccccn3)cs2)[nH+]1 ZINC000179427128 455047784 /nfs/dbraw/zinc/04/77/84/455047784.db2.gz VQNKBTOWLKPKQZ-UHFFFAOYSA-N 2 2 335.436 3.185 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000179832640 455086971 /nfs/dbraw/zinc/08/69/71/455086971.db2.gz CXAPKQGLFSQXJV-UHFFFAOYSA-N 2 2 332.879 3.488 20 0 EGADLP C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000117660882 455090725 /nfs/dbraw/zinc/09/07/25/455090725.db2.gz XDCCNRUCULPJGI-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000117660882 455090728 /nfs/dbraw/zinc/09/07/28/455090728.db2.gz XDCCNRUCULPJGI-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H]1CCC[C@](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)([NH+](C)C)C1 ZINC000129429155 455111067 /nfs/dbraw/zinc/11/10/67/455111067.db2.gz YFTUUYQWKIHGKQ-XLIONFOSSA-N 3 2 330.520 3.151 20 0 EGADLP C[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152470837 455124011 /nfs/dbraw/zinc/12/40/11/455124011.db2.gz LUFAGJDEKLDSQY-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152470837 455124013 /nfs/dbraw/zinc/12/40/13/455124013.db2.gz LUFAGJDEKLDSQY-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000152470837 455124015 /nfs/dbraw/zinc/12/40/15/455124015.db2.gz LUFAGJDEKLDSQY-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2cccc(Cl)c2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152470837 455124018 /nfs/dbraw/zinc/12/40/18/455124018.db2.gz LUFAGJDEKLDSQY-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657485 460665177 /nfs/dbraw/zinc/66/51/77/460665177.db2.gz ROZPDYIQKRQNBR-FQEVSTJZSA-N 3 2 329.532 3.015 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657485 460665182 /nfs/dbraw/zinc/66/51/82/460665182.db2.gz ROZPDYIQKRQNBR-FQEVSTJZSA-N 3 2 329.532 3.015 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000237316762 455172400 /nfs/dbraw/zinc/17/24/00/455172400.db2.gz RYZUIYNXMZPNFL-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000237316762 455172402 /nfs/dbraw/zinc/17/24/02/455172402.db2.gz RYZUIYNXMZPNFL-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157418546 455192537 /nfs/dbraw/zinc/19/25/37/455192537.db2.gz RGJQGMRRNZXFNF-UHFFFAOYSA-N 2 2 345.531 3.150 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157418546 455192543 /nfs/dbraw/zinc/19/25/43/455192543.db2.gz RGJQGMRRNZXFNF-UHFFFAOYSA-N 2 2 345.531 3.150 20 0 EGADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245431853 455296457 /nfs/dbraw/zinc/29/64/57/455296457.db2.gz AYPKUSAXFGLDQD-CVEARBPZSA-N 2 2 341.459 3.000 20 0 EGADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245431853 455296460 /nfs/dbraw/zinc/29/64/60/455296460.db2.gz AYPKUSAXFGLDQD-CVEARBPZSA-N 2 2 341.459 3.000 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@H+](CC(C)C)CCO3)oc21 ZINC000181412121 455330854 /nfs/dbraw/zinc/33/08/54/455330854.db2.gz NRHKJPPVGVPPFA-DOTOQJQBSA-N 2 2 346.471 3.449 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@@H+](CC(C)C)CCO3)oc21 ZINC000181412121 455330858 /nfs/dbraw/zinc/33/08/58/455330858.db2.gz NRHKJPPVGVPPFA-DOTOQJQBSA-N 2 2 346.471 3.449 20 0 EGADLP CCn1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000181594240 455360183 /nfs/dbraw/zinc/36/01/83/455360183.db2.gz RNLAXHUDJKVING-HOTGVXAUSA-N 2 2 327.476 3.174 20 0 EGADLP CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737263 455369591 /nfs/dbraw/zinc/36/95/91/455369591.db2.gz TYXHMSWRNUBONY-DFQSSKMNSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737263 455369593 /nfs/dbraw/zinc/36/95/93/455369593.db2.gz TYXHMSWRNUBONY-DFQSSKMNSA-N 2 2 347.547 3.138 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1nccn1-c1ccccc1 ZINC000190702111 455369768 /nfs/dbraw/zinc/36/97/68/455369768.db2.gz QESPCQQXOJUFIK-UHFFFAOYSA-N 2 2 331.423 3.320 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000245743926 455370132 /nfs/dbraw/zinc/37/01/32/455370132.db2.gz XSFITTNRSNCZQQ-DOMZBBRYSA-N 2 2 333.457 3.123 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000245743926 455370136 /nfs/dbraw/zinc/37/01/36/455370136.db2.gz XSFITTNRSNCZQQ-DOMZBBRYSA-N 2 2 333.457 3.123 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254342 455458274 /nfs/dbraw/zinc/45/82/74/455458274.db2.gz XCCHEDUWEAQXOE-CVEARBPZSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254342 455458280 /nfs/dbraw/zinc/45/82/80/455458280.db2.gz XCCHEDUWEAQXOE-CVEARBPZSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946327 455480321 /nfs/dbraw/zinc/48/03/21/455480321.db2.gz SKRPXDKPJIYJKQ-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946327 455480327 /nfs/dbraw/zinc/48/03/27/455480327.db2.gz SKRPXDKPJIYJKQ-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266954793 455482328 /nfs/dbraw/zinc/48/23/28/455482328.db2.gz VIPJGDOBFZDYQH-UONOGXRCSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266954793 455482330 /nfs/dbraw/zinc/48/23/30/455482330.db2.gz VIPJGDOBFZDYQH-UONOGXRCSA-N 2 2 344.484 3.338 20 0 EGADLP c1ccc([C@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCOCC2)cc1 ZINC000267163078 455509440 /nfs/dbraw/zinc/50/94/40/455509440.db2.gz AKWMEJQPWUYDER-FQEVSTJZSA-N 2 2 334.423 3.115 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837335 455524997 /nfs/dbraw/zinc/52/49/97/455524997.db2.gz USKWVRDVHMKFST-OXQOHEQNSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837335 455525001 /nfs/dbraw/zinc/52/50/01/455525001.db2.gz USKWVRDVHMKFST-OXQOHEQNSA-N 2 2 343.446 3.162 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000185384682 455552235 /nfs/dbraw/zinc/55/22/35/455552235.db2.gz CVWPGCCLUPCMQS-MRXNPFEDSA-N 2 2 349.544 3.074 20 0 EGADLP C[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000192105521 455557149 /nfs/dbraw/zinc/55/71/49/455557149.db2.gz VOLNZVBJEMWVLN-LJQANCHMSA-N 2 2 342.483 3.069 20 0 EGADLP C[N@@H+](C[C@H]1CC2(CCC2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000192105521 455557154 /nfs/dbraw/zinc/55/71/54/455557154.db2.gz VOLNZVBJEMWVLN-LJQANCHMSA-N 2 2 342.483 3.069 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2sccc2C[NH+](C)C)c1C ZINC000268080982 455589803 /nfs/dbraw/zinc/58/98/03/455589803.db2.gz GHERMICDDGFZSM-UHFFFAOYSA-N 2 2 347.484 3.102 20 0 EGADLP c1nc(N2CCSCC2)cc(NCCCCC[NH+]2CCCCC2)[nH+]1 ZINC000192310658 455590039 /nfs/dbraw/zinc/59/00/39/455590039.db2.gz JGTUNJHIOHVHMW-UHFFFAOYSA-N 2 2 349.548 3.098 20 0 EGADLP c1nc(NCCCCC[NH+]2CCCCC2)cc(N2CCSCC2)[nH+]1 ZINC000192310658 455590040 /nfs/dbraw/zinc/59/00/40/455590040.db2.gz JGTUNJHIOHVHMW-UHFFFAOYSA-N 2 2 349.548 3.098 20 0 EGADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000271318728 455596140 /nfs/dbraw/zinc/59/61/40/455596140.db2.gz STORXBVKGHTPDU-HZPDHXFCSA-N 2 2 340.471 3.084 20 0 EGADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000271318728 455596146 /nfs/dbraw/zinc/59/61/46/455596146.db2.gz STORXBVKGHTPDU-HZPDHXFCSA-N 2 2 340.471 3.084 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000268165347 455607931 /nfs/dbraw/zinc/60/79/31/455607931.db2.gz OQSHHKBPMLMBMN-INIZCTEOSA-N 2 2 328.460 3.469 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000192437482 455614960 /nfs/dbraw/zinc/61/49/60/455614960.db2.gz IMXDCSZRJSDTQF-ACBHZAAOSA-N 2 2 332.488 3.391 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192499160 455630733 /nfs/dbraw/zinc/63/07/33/455630733.db2.gz BHTUYYPLEDFDJA-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192499160 455630739 /nfs/dbraw/zinc/63/07/39/455630739.db2.gz BHTUYYPLEDFDJA-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+](C)C ZINC000268345762 455657469 /nfs/dbraw/zinc/65/74/69/455657469.db2.gz IKQINUVRGPXNMY-GOSISDBHSA-N 2 2 340.471 3.411 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCc2ccnn2C)CC1 ZINC000284296310 455664179 /nfs/dbraw/zinc/66/41/79/455664179.db2.gz GJOMRRUSSHOLGH-UHFFFAOYSA-N 2 2 337.471 3.212 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248167208 455692843 /nfs/dbraw/zinc/69/28/43/455692843.db2.gz TZOBCBIMFFUFEG-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248167208 455692848 /nfs/dbraw/zinc/69/28/48/455692848.db2.gz TZOBCBIMFFUFEG-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248167208 455692852 /nfs/dbraw/zinc/69/28/52/455692852.db2.gz TZOBCBIMFFUFEG-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248167208 455692855 /nfs/dbraw/zinc/69/28/55/455692855.db2.gz TZOBCBIMFFUFEG-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP COc1ncc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1Cl ZINC000284515757 455698291 /nfs/dbraw/zinc/69/82/91/455698291.db2.gz WHXUYSLLFNRILY-LBPRGKRZSA-N 2 2 330.819 3.285 20 0 EGADLP CCOC(C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398128 455713293 /nfs/dbraw/zinc/71/32/93/455713293.db2.gz MWLHZKIQCFCKSD-HKUYNNGSSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398128 455713296 /nfs/dbraw/zinc/71/32/96/455713296.db2.gz MWLHZKIQCFCKSD-HKUYNNGSSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398128 455713298 /nfs/dbraw/zinc/71/32/98/455713298.db2.gz MWLHZKIQCFCKSD-HKUYNNGSSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398128 455713300 /nfs/dbraw/zinc/71/33/00/455713300.db2.gz MWLHZKIQCFCKSD-HKUYNNGSSA-N 2 2 334.504 3.370 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268823226 455714044 /nfs/dbraw/zinc/71/40/44/455714044.db2.gz HMWQSQZSDZNSDL-OJWCNPDFSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268823226 455714049 /nfs/dbraw/zinc/71/40/49/455714049.db2.gz HMWQSQZSDZNSDL-OJWCNPDFSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000277942507 455716170 /nfs/dbraw/zinc/71/61/70/455716170.db2.gz RBSBZPZGASLVJU-GOEBONIOSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887947 455719670 /nfs/dbraw/zinc/71/96/70/455719670.db2.gz IWPSSQDTSOOJMZ-MJGOQNOKSA-N 2 2 339.483 3.375 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887947 455719675 /nfs/dbraw/zinc/71/96/75/455719675.db2.gz IWPSSQDTSOOJMZ-MJGOQNOKSA-N 2 2 339.483 3.375 20 0 EGADLP C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192940090 455722804 /nfs/dbraw/zinc/72/28/04/455722804.db2.gz ZGXFXEFTDKDIGD-LPHOPBHVSA-N 2 2 329.444 3.109 20 0 EGADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268961090 455745346 /nfs/dbraw/zinc/74/53/46/455745346.db2.gz XJEKLAPIIQDFQS-MOPGFXCFSA-N 2 2 337.939 3.133 20 0 EGADLP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268961090 455745351 /nfs/dbraw/zinc/74/53/51/455745351.db2.gz XJEKLAPIIQDFQS-MOPGFXCFSA-N 2 2 337.939 3.133 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000284839867 455749927 /nfs/dbraw/zinc/74/99/27/455749927.db2.gz BYTIUYZIWIYJMJ-MOPGFXCFSA-N 2 2 344.499 3.218 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000284839867 455749931 /nfs/dbraw/zinc/74/99/31/455749931.db2.gz BYTIUYZIWIYJMJ-MOPGFXCFSA-N 2 2 344.499 3.218 20 0 EGADLP Cc1cccc2oc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)nc21 ZINC000268982431 455752520 /nfs/dbraw/zinc/75/25/20/455752520.db2.gz PCYJXPCRVWQMAF-UHFFFAOYSA-N 2 2 336.439 3.332 20 0 EGADLP CS[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269045635 455774631 /nfs/dbraw/zinc/77/46/31/455774631.db2.gz WMIIFWZDWOMJIS-GUYCJALGSA-N 2 2 342.936 3.006 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249903454 455782334 /nfs/dbraw/zinc/78/23/34/455782334.db2.gz UFVAMRMMJBAYDM-OAGGEKHMSA-N 2 2 342.487 3.112 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000269374704 455845350 /nfs/dbraw/zinc/84/53/50/455845350.db2.gz VFPKGMKNLNRFAL-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)c1 ZINC000285504980 455860268 /nfs/dbraw/zinc/86/02/68/455860268.db2.gz AQXNUHPTEMDZBP-QBUWPKIASA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)c1 ZINC000285504980 455860273 /nfs/dbraw/zinc/86/02/73/455860273.db2.gz AQXNUHPTEMDZBP-QBUWPKIASA-N 2 2 343.515 3.038 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000272206667 455877341 /nfs/dbraw/zinc/87/73/41/455877341.db2.gz POKJBDHGRDUCLU-WBVHZDCISA-N 2 2 345.512 3.290 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000272206667 455877346 /nfs/dbraw/zinc/87/73/46/455877346.db2.gz POKJBDHGRDUCLU-WBVHZDCISA-N 2 2 345.512 3.290 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000285610012 455881633 /nfs/dbraw/zinc/88/16/33/455881633.db2.gz YUNZQOMTOUYIEQ-GFCCVEGCSA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000285610012 455881635 /nfs/dbraw/zinc/88/16/35/455881635.db2.gz YUNZQOMTOUYIEQ-GFCCVEGCSA-N 2 2 339.277 3.032 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)C[C@@H]12 ZINC000261568781 455908350 /nfs/dbraw/zinc/90/83/50/455908350.db2.gz JKMMEKAQXOKHAU-JTNHKYCSSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)C[C@@H]12 ZINC000261568781 455908352 /nfs/dbraw/zinc/90/83/52/455908352.db2.gz JKMMEKAQXOKHAU-JTNHKYCSSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195031725 455915085 /nfs/dbraw/zinc/91/50/85/455915085.db2.gz DWTIGDWDVWDHQA-QFBILLFUSA-N 2 2 335.455 3.004 20 0 EGADLP C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195031725 455915094 /nfs/dbraw/zinc/91/50/94/455915094.db2.gz DWTIGDWDVWDHQA-QFBILLFUSA-N 2 2 335.455 3.004 20 0 EGADLP CCC(CC)(C[NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000261649852 455921004 /nfs/dbraw/zinc/92/10/04/455921004.db2.gz FHXSAAZUTGFUAW-UHFFFAOYSA-N 2 2 328.460 3.466 20 0 EGADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000261765099 455943390 /nfs/dbraw/zinc/94/33/90/455943390.db2.gz NWPWKQXQVLGZSV-UKRRQHHQSA-N 2 2 326.444 3.076 20 0 EGADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000261784341 455947813 /nfs/dbraw/zinc/94/78/13/455947813.db2.gz SJHUSAMJEQQWKN-UHFFFAOYSA-N 2 2 337.895 3.217 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261848484 455958578 /nfs/dbraw/zinc/95/85/78/455958578.db2.gz RGIWFGFTRGQXLX-FQEVSTJZSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261848484 455958580 /nfs/dbraw/zinc/95/85/80/455958580.db2.gz RGIWFGFTRGQXLX-FQEVSTJZSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262039716 455989030 /nfs/dbraw/zinc/98/90/30/455989030.db2.gz PAMKJYNYJWLEEO-WMLDXEAASA-N 2 2 338.480 3.380 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262039716 455989033 /nfs/dbraw/zinc/98/90/33/455989033.db2.gz PAMKJYNYJWLEEO-WMLDXEAASA-N 2 2 338.480 3.380 20 0 EGADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000296612744 455989499 /nfs/dbraw/zinc/98/94/99/455989499.db2.gz ZJHUJSOVGBXXNL-MRXNPFEDSA-N 2 2 344.484 3.076 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262082620 455994874 /nfs/dbraw/zinc/99/48/74/455994874.db2.gz TZGYRSHXOZCRRH-OXQOHEQNSA-N 2 2 332.451 3.318 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1[NH3+] ZINC000262082620 455994878 /nfs/dbraw/zinc/99/48/78/455994878.db2.gz TZGYRSHXOZCRRH-OXQOHEQNSA-N 2 2 332.451 3.318 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000262151478 456004253 /nfs/dbraw/zinc/00/42/53/456004253.db2.gz RRACZNPQRNVVQT-LJQANCHMSA-N 2 2 326.444 3.342 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@@H+]1C1CC1 ZINC000623756254 460706865 /nfs/dbraw/zinc/70/68/65/460706865.db2.gz UGHHCHPOWPZENX-SNPRPXQTSA-N 2 2 337.870 3.273 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@H+]1C1CC1 ZINC000623756254 460706872 /nfs/dbraw/zinc/70/68/72/460706872.db2.gz UGHHCHPOWPZENX-SNPRPXQTSA-N 2 2 337.870 3.273 20 0 EGADLP Cc1ncsc1C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286300175 456019128 /nfs/dbraw/zinc/01/91/28/456019128.db2.gz GMBJNPXZHNMVMO-UHFFFAOYSA-N 2 2 344.528 3.096 20 0 EGADLP Cc1ncsc1C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286300175 456019133 /nfs/dbraw/zinc/01/91/33/456019133.db2.gz GMBJNPXZHNMVMO-UHFFFAOYSA-N 2 2 344.528 3.096 20 0 EGADLP C[C@]1(C[NH3+])CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000262307032 456022739 /nfs/dbraw/zinc/02/27/39/456022739.db2.gz CKIICINUNSPEBE-GOSISDBHSA-N 2 2 345.830 3.338 20 0 EGADLP C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000262527332 456042600 /nfs/dbraw/zinc/04/26/00/456042600.db2.gz PBQGKWFMFDMLAU-YPMHNXCESA-N 2 2 344.286 3.381 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700094 456044613 /nfs/dbraw/zinc/04/46/13/456044613.db2.gz YLNUOTFMUNBUEL-XLIONFOSSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700094 456044617 /nfs/dbraw/zinc/04/46/17/456044617.db2.gz YLNUOTFMUNBUEL-XLIONFOSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700094 456044622 /nfs/dbraw/zinc/04/46/22/456044622.db2.gz YLNUOTFMUNBUEL-XLIONFOSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700094 456044624 /nfs/dbraw/zinc/04/46/24/456044624.db2.gz YLNUOTFMUNBUEL-XLIONFOSSA-N 2 2 337.467 3.187 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[N@@H+](C)C2CCCC2)c1C ZINC000301290421 456082130 /nfs/dbraw/zinc/08/21/30/456082130.db2.gz TURCXYHZIQUQBT-UHFFFAOYSA-N 2 2 325.460 3.442 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[N@H+](C)C2CCCC2)c1C ZINC000301290421 456082134 /nfs/dbraw/zinc/08/21/34/456082134.db2.gz TURCXYHZIQUQBT-UHFFFAOYSA-N 2 2 325.460 3.442 20 0 EGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cncc(Br)c1 ZINC000230729780 456140273 /nfs/dbraw/zinc/14/02/73/456140273.db2.gz LSBZLXXNKKLHHR-UHFFFAOYSA-N 2 2 328.298 3.398 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cncc(Br)c1 ZINC000230729780 456140274 /nfs/dbraw/zinc/14/02/74/456140274.db2.gz LSBZLXXNKKLHHR-UHFFFAOYSA-N 2 2 328.298 3.398 20 0 EGADLP C[C@@H]1C[NH+](CCC2CCN(c3cc[nH+]c(C4CC4)n3)CC2)C[C@@H](C)O1 ZINC000301595905 456155746 /nfs/dbraw/zinc/15/57/46/456155746.db2.gz ZCOGWCYQUCSRTO-HZPDHXFCSA-N 2 2 344.503 3.070 20 0 EGADLP CSc1cc2c(cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OCCO2 ZINC000271191773 456163603 /nfs/dbraw/zinc/16/36/03/456163603.db2.gz MEIUPEHTQOCGQD-ZFWWWQNUSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)OCCO2 ZINC000271191773 456163607 /nfs/dbraw/zinc/16/36/07/456163607.db2.gz MEIUPEHTQOCGQD-ZFWWWQNUSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OCCO2 ZINC000271191773 456163611 /nfs/dbraw/zinc/16/36/11/456163611.db2.gz MEIUPEHTQOCGQD-ZFWWWQNUSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OCCO2 ZINC000271191773 456163614 /nfs/dbraw/zinc/16/36/14/456163614.db2.gz MEIUPEHTQOCGQD-ZFWWWQNUSA-N 2 2 336.501 3.094 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)c2ccccc12 ZINC000297269518 456167300 /nfs/dbraw/zinc/16/73/00/456167300.db2.gz KQMUYYBVYASJPF-IRXDYDNUSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)c2ccccc12 ZINC000297269518 456167303 /nfs/dbraw/zinc/16/73/03/456167303.db2.gz KQMUYYBVYASJPF-IRXDYDNUSA-N 2 2 342.483 3.346 20 0 EGADLP Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301641972 456171252 /nfs/dbraw/zinc/17/12/52/456171252.db2.gz BRRNIIFOIDVMIP-ZDUSSCGKSA-N 2 2 344.459 3.296 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000188939854 456177349 /nfs/dbraw/zinc/17/73/49/456177349.db2.gz OENRBNZUJPCTAC-YUXAGFNASA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000188939854 456177358 /nfs/dbraw/zinc/17/73/58/456177358.db2.gz OENRBNZUJPCTAC-YUXAGFNASA-N 2 2 338.495 3.324 20 0 EGADLP COc1ccccc1-n1nccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000281280432 456189307 /nfs/dbraw/zinc/18/93/07/456189307.db2.gz ZHCZZSCLZCPQMZ-UHFFFAOYSA-N 2 2 342.487 3.186 20 0 EGADLP COc1ccccc1-n1nccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000281280432 456189313 /nfs/dbraw/zinc/18/93/13/456189313.db2.gz ZHCZZSCLZCPQMZ-UHFFFAOYSA-N 2 2 342.487 3.186 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000297384126 456206517 /nfs/dbraw/zinc/20/65/17/456206517.db2.gz ISAZDQDEETWOCY-DOMZBBRYSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000297384126 456206526 /nfs/dbraw/zinc/20/65/26/456206526.db2.gz ISAZDQDEETWOCY-DOMZBBRYSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000297384126 456206530 /nfs/dbraw/zinc/20/65/30/456206530.db2.gz ISAZDQDEETWOCY-DOMZBBRYSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000297384126 456206535 /nfs/dbraw/zinc/20/65/35/456206535.db2.gz ISAZDQDEETWOCY-DOMZBBRYSA-N 2 2 332.517 3.354 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2[nH+]1 ZINC000236947619 456207429 /nfs/dbraw/zinc/20/74/29/456207429.db2.gz DSAHECAZLASSQP-AWEZNQCLSA-N 2 2 326.444 3.234 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301872525 456236973 /nfs/dbraw/zinc/23/69/73/456236973.db2.gz HRHVXECBFAXWFI-AWEZNQCLSA-N 2 2 330.480 3.258 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301872525 456236976 /nfs/dbraw/zinc/23/69/76/456236976.db2.gz HRHVXECBFAXWFI-AWEZNQCLSA-N 2 2 330.480 3.258 20 0 EGADLP Brc1cscc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000290180166 456261115 /nfs/dbraw/zinc/26/11/15/456261115.db2.gz ZBZPYXOPJHJYJR-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1cscc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000290180166 456261121 /nfs/dbraw/zinc/26/11/21/456261121.db2.gz ZBZPYXOPJHJYJR-GFCCVEGCSA-N 2 2 329.307 3.428 20 0 EGADLP Cc1ccc2[nH+]cc(CN[C@@H](C[NH+](C)C)c3ccc(F)cc3)n2c1 ZINC000290212209 456268349 /nfs/dbraw/zinc/26/83/49/456268349.db2.gz WBCYTRZRGRZQBP-SFHVURJKSA-N 2 2 326.419 3.174 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000302063197 456278182 /nfs/dbraw/zinc/27/81/82/456278182.db2.gz USNWVNTZTRQNKM-QAPCUYQASA-N 2 2 346.519 3.213 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000302063197 456278183 /nfs/dbraw/zinc/27/81/83/456278183.db2.gz USNWVNTZTRQNKM-QAPCUYQASA-N 2 2 346.519 3.213 20 0 EGADLP COc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1F ZINC000275614471 456278263 /nfs/dbraw/zinc/27/82/63/456278263.db2.gz ITULSIAWBSSZQI-SFHVURJKSA-N 2 2 343.446 3.374 20 0 EGADLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1F ZINC000275614471 456278265 /nfs/dbraw/zinc/27/82/65/456278265.db2.gz ITULSIAWBSSZQI-SFHVURJKSA-N 2 2 343.446 3.374 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000352761071 456283865 /nfs/dbraw/zinc/28/38/65/456283865.db2.gz UAFXXZSLMITXFM-QAPCUYQASA-N 2 2 345.512 3.462 20 0 EGADLP C[NH+](C)Cc1cnc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000352783475 456303662 /nfs/dbraw/zinc/30/36/62/456303662.db2.gz CHHDWKKEWGDWSF-UHFFFAOYSA-N 2 2 331.420 3.142 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc(OC)c1 ZINC000336793969 456310739 /nfs/dbraw/zinc/31/07/39/456310739.db2.gz ZEEFIFVOBWDGKW-IIBYNOLFSA-N 2 2 340.467 3.456 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc(OC)c1 ZINC000336793969 456310744 /nfs/dbraw/zinc/31/07/44/456310744.db2.gz ZEEFIFVOBWDGKW-IIBYNOLFSA-N 2 2 340.467 3.456 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)[C@H](C)C1 ZINC000290387392 456313227 /nfs/dbraw/zinc/31/32/27/456313227.db2.gz OJRNVDCGRFCBRJ-QUCCMNQESA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2c[nH+]ccc2C)[C@H](C)C1 ZINC000290387392 456313233 /nfs/dbraw/zinc/31/32/33/456313233.db2.gz OJRNVDCGRFCBRJ-QUCCMNQESA-N 3 2 333.520 3.049 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(OC(F)F)c2)s1 ZINC000352791584 456313720 /nfs/dbraw/zinc/31/37/20/456313720.db2.gz PYTKAKWCWOPZSK-UHFFFAOYSA-N 2 2 327.400 3.096 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2cccs2)n1 ZINC000342924184 456317482 /nfs/dbraw/zinc/31/74/82/456317482.db2.gz DDQPDJMNICAOIS-INIZCTEOSA-N 2 2 340.452 3.197 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2cccs2)n1 ZINC000342924184 456317488 /nfs/dbraw/zinc/31/74/88/456317488.db2.gz DDQPDJMNICAOIS-INIZCTEOSA-N 2 2 340.452 3.197 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000352801694 456322114 /nfs/dbraw/zinc/32/21/14/456322114.db2.gz KFLQTALPEVMCFQ-CYFREDJKSA-N 2 2 348.556 3.368 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000352801694 456322120 /nfs/dbraw/zinc/32/21/20/456322120.db2.gz KFLQTALPEVMCFQ-CYFREDJKSA-N 2 2 348.556 3.368 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501761 456346919 /nfs/dbraw/zinc/34/69/19/456346919.db2.gz PFNKTTUYAKAGHE-KDOFPFPSSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501761 456346925 /nfs/dbraw/zinc/34/69/25/456346925.db2.gz PFNKTTUYAKAGHE-KDOFPFPSSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501761 456346932 /nfs/dbraw/zinc/34/69/32/456346932.db2.gz PFNKTTUYAKAGHE-KDOFPFPSSA-N 2 2 332.879 3.298 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000290501761 456346936 /nfs/dbraw/zinc/34/69/36/456346936.db2.gz PFNKTTUYAKAGHE-KDOFPFPSSA-N 2 2 332.879 3.298 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340260962 456348826 /nfs/dbraw/zinc/34/88/26/456348826.db2.gz TUNGTNJUWHIBOF-RBUKOAKNSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340260962 456348828 /nfs/dbraw/zinc/34/88/28/456348828.db2.gz TUNGTNJUWHIBOF-RBUKOAKNSA-N 2 2 326.488 3.464 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCCCC1(C)C ZINC000337375254 456349625 /nfs/dbraw/zinc/34/96/25/456349625.db2.gz UQQAQESOXFXXIR-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCCCC1(C)C ZINC000337375254 456349631 /nfs/dbraw/zinc/34/96/31/456349631.db2.gz UQQAQESOXFXXIR-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557610 456364119 /nfs/dbraw/zinc/36/41/19/456364119.db2.gz SDVNLMMVOPLOKB-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557610 456364125 /nfs/dbraw/zinc/36/41/25/456364125.db2.gz SDVNLMMVOPLOKB-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557610 456364135 /nfs/dbraw/zinc/36/41/35/456364135.db2.gz SDVNLMMVOPLOKB-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(Cl)c1OC ZINC000290557610 456364141 /nfs/dbraw/zinc/36/41/41/456364141.db2.gz SDVNLMMVOPLOKB-ZFWWWQNUSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc2cc(C[NH2+][C@@H](C)CC[NH+]3CCOCC3)ccc2c1 ZINC000347798262 456374273 /nfs/dbraw/zinc/37/42/73/456374273.db2.gz HKSXWCLKGXPDDZ-INIZCTEOSA-N 2 2 328.456 3.049 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302801072 456405788 /nfs/dbraw/zinc/40/57/88/456405788.db2.gz TXMNXIAOWCWGTI-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000302801072 456405791 /nfs/dbraw/zinc/40/57/91/456405791.db2.gz TXMNXIAOWCWGTI-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000352915522 456410093 /nfs/dbraw/zinc/41/00/93/456410093.db2.gz PNFUYVHZUBPVIW-JIRNRHONSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000352915522 456410096 /nfs/dbraw/zinc/41/00/96/456410096.db2.gz PNFUYVHZUBPVIW-JIRNRHONSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000352915522 456410097 /nfs/dbraw/zinc/41/00/97/456410097.db2.gz PNFUYVHZUBPVIW-JIRNRHONSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000352915522 456410100 /nfs/dbraw/zinc/41/01/00/456410100.db2.gz PNFUYVHZUBPVIW-JIRNRHONSA-N 2 2 343.515 3.201 20 0 EGADLP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000347862745 456412375 /nfs/dbraw/zinc/41/23/75/456412375.db2.gz WUNQJZVTOYIBSZ-CQSZACIVSA-N 2 2 331.485 3.203 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302862137 456419177 /nfs/dbraw/zinc/41/91/77/456419177.db2.gz VXAVOPLTMJSMQZ-WMZOPIPTSA-N 2 2 337.471 3.009 20 0 EGADLP C[C@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000302901833 456431911 /nfs/dbraw/zinc/43/19/11/456431911.db2.gz QVAWBNMVTGMQTD-JSGCOSHPSA-N 2 2 331.851 3.177 20 0 EGADLP C[C@H]1C[C@@H](Nc2nc[nH+]c(N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000302901833 456431919 /nfs/dbraw/zinc/43/19/19/456431919.db2.gz QVAWBNMVTGMQTD-JSGCOSHPSA-N 2 2 331.851 3.177 20 0 EGADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000302901836 456432491 /nfs/dbraw/zinc/43/24/91/456432491.db2.gz QVAWBNMVTGMQTD-TZMCWYRMSA-N 2 2 331.851 3.177 20 0 EGADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000302901836 456432492 /nfs/dbraw/zinc/43/24/92/456432492.db2.gz QVAWBNMVTGMQTD-TZMCWYRMSA-N 2 2 331.851 3.177 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1nccc2ccccc21 ZINC000290803249 456433409 /nfs/dbraw/zinc/43/34/09/456433409.db2.gz VQJAEAUWEZGYGZ-IRXDYDNUSA-N 2 2 327.472 3.386 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1nccc2ccccc21 ZINC000290803249 456433415 /nfs/dbraw/zinc/43/34/15/456433415.db2.gz VQJAEAUWEZGYGZ-IRXDYDNUSA-N 2 2 327.472 3.386 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000298399538 456445716 /nfs/dbraw/zinc/44/57/16/456445716.db2.gz LSRXXSISRCRCBO-UHFFFAOYSA-N 3 2 328.435 3.036 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cc2)cs1 ZINC000340423594 456451020 /nfs/dbraw/zinc/45/10/20/456451020.db2.gz GFMUEVBNYFYZQI-AWEZNQCLSA-N 2 2 342.468 3.405 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)no1 ZINC000298438115 456456838 /nfs/dbraw/zinc/45/68/38/456456838.db2.gz NJVQSKYDOFLWNS-MRXNPFEDSA-N 2 2 343.471 3.485 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)no1 ZINC000298438115 456456848 /nfs/dbraw/zinc/45/68/48/456456848.db2.gz NJVQSKYDOFLWNS-MRXNPFEDSA-N 2 2 343.471 3.485 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(F)cn1 ZINC000348090004 456470811 /nfs/dbraw/zinc/47/08/11/456470811.db2.gz UKTZDIGYIQKXNJ-OAHLLOKOSA-N 2 2 343.446 3.328 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(F)cn1 ZINC000348090004 456470813 /nfs/dbraw/zinc/47/08/13/456470813.db2.gz UKTZDIGYIQKXNJ-OAHLLOKOSA-N 2 2 343.446 3.328 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000348099678 456478113 /nfs/dbraw/zinc/47/81/13/456478113.db2.gz CKLXAKXKNQRCTN-HIFRSBDPSA-N 2 2 325.334 3.072 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccncc1F ZINC000340474609 456480821 /nfs/dbraw/zinc/48/08/21/456480821.db2.gz KMVYITZUFWPITQ-JKSUJKDBSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1F ZINC000340474609 456480826 /nfs/dbraw/zinc/48/08/26/456480826.db2.gz KMVYITZUFWPITQ-JKSUJKDBSA-N 2 2 343.446 3.292 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291051673 456510488 /nfs/dbraw/zinc/51/04/88/456510488.db2.gz BZVLCTVUJGETRY-ZFWWWQNUSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291051673 456510496 /nfs/dbraw/zinc/51/04/96/456510496.db2.gz BZVLCTVUJGETRY-ZFWWWQNUSA-N 2 2 339.361 3.342 20 0 EGADLP CC[C@](C)(O)C[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000348212168 456540622 /nfs/dbraw/zinc/54/06/22/456540622.db2.gz HUJQOHJFCXGEQP-IBGZPJMESA-N 2 2 347.528 3.368 20 0 EGADLP CC[C@](C)(O)C[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000348212168 456540630 /nfs/dbraw/zinc/54/06/30/456540630.db2.gz HUJQOHJFCXGEQP-IBGZPJMESA-N 2 2 347.528 3.368 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)ccc1-n1cc[nH+]c1 ZINC000282598344 456564024 /nfs/dbraw/zinc/56/40/24/456564024.db2.gz HJPQNVUWMPQRJS-GOSISDBHSA-N 2 2 329.419 3.450 20 0 EGADLP O[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000291238797 456574802 /nfs/dbraw/zinc/57/48/02/456574802.db2.gz UVYVWHDEOGSCNO-INIZCTEOSA-N 2 2 339.361 3.272 20 0 EGADLP OCc1cc[nH+]c(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000310819629 456583782 /nfs/dbraw/zinc/58/37/82/456583782.db2.gz BLIRPXRLVVFTSR-UHFFFAOYSA-N 2 2 337.467 3.066 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000353305017 456626618 /nfs/dbraw/zinc/62/66/18/456626618.db2.gz ADZGLENJDHSWTA-PBHICJAKSA-N 2 2 338.492 3.045 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000348336181 456633155 /nfs/dbraw/zinc/63/31/55/456633155.db2.gz SAOUUDCHOAAKPT-ORAYPTAESA-N 2 2 327.403 3.301 20 0 EGADLP C[C@H](c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276986892 456640952 /nfs/dbraw/zinc/64/09/52/456640952.db2.gz WUMUYXWGHDLGFJ-HZSPNIEDSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@H](c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276986892 456640956 /nfs/dbraw/zinc/64/09/56/456640956.db2.gz WUMUYXWGHDLGFJ-HZSPNIEDSA-N 2 2 338.415 3.251 20 0 EGADLP CCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)O[C@@H](C)C2 ZINC000322834555 456650945 /nfs/dbraw/zinc/65/09/45/456650945.db2.gz HRDCSPXAQBJKTQ-DXJOGWAWSA-N 2 2 330.472 3.124 20 0 EGADLP CCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O[C@@H](C)C2 ZINC000322834555 456650950 /nfs/dbraw/zinc/65/09/50/456650950.db2.gz HRDCSPXAQBJKTQ-DXJOGWAWSA-N 2 2 330.472 3.124 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000277092175 456677793 /nfs/dbraw/zinc/67/77/93/456677793.db2.gz RWPYXSBITXBAGP-UHFFFAOYSA-N 2 2 349.482 3.461 20 0 EGADLP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176812 456686807 /nfs/dbraw/zinc/68/68/07/456686807.db2.gz FXFJNNVXDSIVNK-HNNXBMFYSA-N 2 2 327.428 3.334 20 0 EGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176812 456686816 /nfs/dbraw/zinc/68/68/16/456686816.db2.gz FXFJNNVXDSIVNK-HNNXBMFYSA-N 2 2 327.428 3.334 20 0 EGADLP COCC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000353537900 456741804 /nfs/dbraw/zinc/74/18/04/456741804.db2.gz GGVZFGLODCAJAA-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553605 456754544 /nfs/dbraw/zinc/75/45/44/456754544.db2.gz SNZIFYYAHYOHDU-RBUKOAKNSA-N 2 2 344.499 3.363 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553605 456754548 /nfs/dbraw/zinc/75/45/48/456754548.db2.gz SNZIFYYAHYOHDU-RBUKOAKNSA-N 2 2 344.499 3.363 20 0 EGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccn1 ZINC000348685088 456815189 /nfs/dbraw/zinc/81/51/89/456815189.db2.gz QRYKWBGJZSEJAK-LBPRGKRZSA-N 2 2 331.382 3.158 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000329039487 456820542 /nfs/dbraw/zinc/82/05/42/456820542.db2.gz DBWRJIBVVSZJSJ-UONOGXRCSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c1)O[C@@H](C)C2 ZINC000329039487 456820548 /nfs/dbraw/zinc/82/05/48/456820548.db2.gz DBWRJIBVVSZJSJ-UONOGXRCSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1OC(F)F ZINC000277448768 456829251 /nfs/dbraw/zinc/82/92/51/456829251.db2.gz KRMUHMWEJBDMCQ-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1OC(F)F ZINC000277448768 456829254 /nfs/dbraw/zinc/82/92/54/456829254.db2.gz KRMUHMWEJBDMCQ-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752711 456841366 /nfs/dbraw/zinc/84/13/66/456841366.db2.gz HCQPPZWKUOMWHL-FKFRUQKQSA-N 2 2 327.394 3.223 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC(C(F)(F)F)C1 ZINC000348752711 456841368 /nfs/dbraw/zinc/84/13/68/456841368.db2.gz HCQPPZWKUOMWHL-FKFRUQKQSA-N 2 2 327.394 3.223 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCC3([NH+](C)C)CCCCCC3)cc2n1C ZINC000353673293 456845101 /nfs/dbraw/zinc/84/51/01/456845101.db2.gz DRKWSCVQPRAUOQ-UHFFFAOYSA-N 2 2 342.487 3.266 20 0 EGADLP Cc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000341468272 456866340 /nfs/dbraw/zinc/86/63/40/456866340.db2.gz DQIFOUFEALQIJM-YVMONPNESA-N 2 2 334.467 3.498 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C[C@@H]1C ZINC000348833969 456876577 /nfs/dbraw/zinc/87/65/77/456876577.db2.gz OSPBCGCESGCIFF-BHYGNILZSA-N 2 2 342.443 3.106 20 0 EGADLP Cc1cccc(O[C@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000341647134 456883452 /nfs/dbraw/zinc/88/34/52/456883452.db2.gz YRNFYCTYQDOACI-GOSISDBHSA-N 2 2 339.483 3.412 20 0 EGADLP Cc1cc[nH+]c(NCCc2cn3c([nH+]2)CCCC3)c1Br ZINC000341745863 456925263 /nfs/dbraw/zinc/92/52/63/456925263.db2.gz ZYCRSFXYQMIQIU-UHFFFAOYSA-N 2 2 335.249 3.340 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068699 456926056 /nfs/dbraw/zinc/92/60/56/456926056.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339068699 456926060 /nfs/dbraw/zinc/92/60/60/456926060.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068699 456926063 /nfs/dbraw/zinc/92/60/63/456926063.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068699 456926065 /nfs/dbraw/zinc/92/60/65/456926065.db2.gz PCZRTEFDUFUASO-PBASOCQRSA-N 3 2 327.516 3.113 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cccc(Br)c1OC ZINC000349370784 456955386 /nfs/dbraw/zinc/95/53/86/456955386.db2.gz SIPBBFSVLZGSPT-UHFFFAOYSA-N 2 2 329.282 3.231 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(Br)c1OC ZINC000349370784 456955390 /nfs/dbraw/zinc/95/53/90/456955390.db2.gz SIPBBFSVLZGSPT-UHFFFAOYSA-N 2 2 329.282 3.231 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(OC)cc(OC)cc1OC ZINC000349405444 456962883 /nfs/dbraw/zinc/96/28/83/456962883.db2.gz IONOJAGVLRMXKD-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(OC)cc(OC)cc1OC ZINC000349405444 456962888 /nfs/dbraw/zinc/96/28/88/456962888.db2.gz IONOJAGVLRMXKD-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000353948364 456975858 /nfs/dbraw/zinc/97/58/58/456975858.db2.gz UGQNHUJGDPJGQZ-WCQYABFASA-N 2 2 332.366 3.024 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353948364 456975861 /nfs/dbraw/zinc/97/58/61/456975861.db2.gz UGQNHUJGDPJGQZ-WCQYABFASA-N 2 2 332.366 3.024 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000353948363 456976220 /nfs/dbraw/zinc/97/62/20/456976220.db2.gz UGQNHUJGDPJGQZ-DGCLKSJQSA-N 2 2 332.366 3.024 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000353948363 456976222 /nfs/dbraw/zinc/97/62/22/456976222.db2.gz UGQNHUJGDPJGQZ-DGCLKSJQSA-N 2 2 332.366 3.024 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(OC)cccc2OC(F)(F)F)CC1 ZINC000353984465 456990130 /nfs/dbraw/zinc/99/01/30/456990130.db2.gz YXVOPZYMWDJOMD-UHFFFAOYSA-N 2 2 332.366 3.168 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019114 457014878 /nfs/dbraw/zinc/01/48/78/457014878.db2.gz ULGPKMGENZYCHN-IUIKQTSFSA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)C1 ZINC000354019114 457014871 /nfs/dbraw/zinc/01/48/71/457014871.db2.gz ULGPKMGENZYCHN-IUIKQTSFSA-N 2 2 331.287 3.347 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346494078 457045890 /nfs/dbraw/zinc/04/58/90/457045890.db2.gz QPHYUKNPWJAIGE-HNAYVOBHSA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346494078 457045894 /nfs/dbraw/zinc/04/58/94/457045894.db2.gz QPHYUKNPWJAIGE-HNAYVOBHSA-N 2 2 339.439 3.124 20 0 EGADLP C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000359087985 457052393 /nfs/dbraw/zinc/05/23/93/457052393.db2.gz XNEMHHCBKKPTQB-MRXNPFEDSA-N 2 2 346.434 3.065 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000354088512 457053988 /nfs/dbraw/zinc/05/39/88/457053988.db2.gz QQDBFUKVUMBADB-MRXNPFEDSA-N 2 2 339.549 3.373 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000354088512 457053993 /nfs/dbraw/zinc/05/39/93/457053993.db2.gz QQDBFUKVUMBADB-MRXNPFEDSA-N 2 2 339.549 3.373 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1(C(=O)OC)CCC1 ZINC000354091901 457056926 /nfs/dbraw/zinc/05/69/26/457056926.db2.gz MYKQJCNDLPHQHD-QGZVFWFLSA-N 2 2 327.428 3.084 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000339358381 457065237 /nfs/dbraw/zinc/06/52/37/457065237.db2.gz GTTAEZRBIOAMBE-IPMKNSEASA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000339358381 457065242 /nfs/dbraw/zinc/06/52/42/457065242.db2.gz GTTAEZRBIOAMBE-IPMKNSEASA-N 2 2 349.563 3.077 20 0 EGADLP CCCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000354174230 457109532 /nfs/dbraw/zinc/10/95/32/457109532.db2.gz AHBRFWRGNQUCNK-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000354174230 457109536 /nfs/dbraw/zinc/10/95/36/457109536.db2.gz AHBRFWRGNQUCNK-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OC ZINC000354174230 457109542 /nfs/dbraw/zinc/10/95/42/457109542.db2.gz AHBRFWRGNQUCNK-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OC ZINC000354174230 457109547 /nfs/dbraw/zinc/10/95/47/457109547.db2.gz AHBRFWRGNQUCNK-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346693134 457114572 /nfs/dbraw/zinc/11/45/72/457114572.db2.gz KXGJALMFSLXFBT-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346693134 457114576 /nfs/dbraw/zinc/11/45/76/457114576.db2.gz KXGJALMFSLXFBT-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435431 457118424 /nfs/dbraw/zinc/11/84/24/457118424.db2.gz AHMALMLLEDAIIO-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435431 457118426 /nfs/dbraw/zinc/11/84/26/457118426.db2.gz AHMALMLLEDAIIO-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000339435431 457118428 /nfs/dbraw/zinc/11/84/28/457118428.db2.gz AHMALMLLEDAIIO-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000339435431 457118430 /nfs/dbraw/zinc/11/84/30/457118430.db2.gz AHMALMLLEDAIIO-FPOVZHCZSA-N 2 2 343.515 3.062 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359702602 457119591 /nfs/dbraw/zinc/11/95/91/457119591.db2.gz ZZVRLAXMBZNJOM-LSDHHAIUSA-N 2 2 328.909 3.259 20 0 EGADLP CCc1noc(C)c1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000339438839 457120240 /nfs/dbraw/zinc/12/02/40/457120240.db2.gz WDXZAOZZDRKVQN-UHFFFAOYSA-N 2 2 334.489 3.058 20 0 EGADLP CCc1noc(C)c1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000339438839 457120246 /nfs/dbraw/zinc/12/02/46/457120246.db2.gz WDXZAOZZDRKVQN-UHFFFAOYSA-N 2 2 334.489 3.058 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)nc(=O)c2c1C ZINC000342138869 457131206 /nfs/dbraw/zinc/13/12/06/457131206.db2.gz SHCNPZYISHOFGB-DEQVHRJGSA-N 2 2 346.500 3.134 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)nc(=O)c2c1C ZINC000342138869 457131209 /nfs/dbraw/zinc/13/12/09/457131209.db2.gz SHCNPZYISHOFGB-DEQVHRJGSA-N 2 2 346.500 3.134 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209594 457131896 /nfs/dbraw/zinc/13/18/96/457131896.db2.gz QMMVTHSVELRBDR-HOJAQTOUSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209594 457131897 /nfs/dbraw/zinc/13/18/97/457131897.db2.gz QMMVTHSVELRBDR-HOJAQTOUSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209594 457131900 /nfs/dbraw/zinc/13/19/00/457131900.db2.gz QMMVTHSVELRBDR-HOJAQTOUSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209594 457131904 /nfs/dbraw/zinc/13/19/04/457131904.db2.gz QMMVTHSVELRBDR-HOJAQTOUSA-N 2 2 345.531 3.449 20 0 EGADLP CC(C)(C)[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152046 457137743 /nfs/dbraw/zinc/13/77/43/457137743.db2.gz BLKAVXFRGHMSFG-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152046 457137748 /nfs/dbraw/zinc/13/77/48/457137748.db2.gz BLKAVXFRGHMSFG-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152046 457137753 /nfs/dbraw/zinc/13/77/53/457137753.db2.gz BLKAVXFRGHMSFG-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000342152046 457137758 /nfs/dbraw/zinc/13/77/58/457137758.db2.gz BLKAVXFRGHMSFG-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800578 457177149 /nfs/dbraw/zinc/17/71/49/457177149.db2.gz RUCYAJVUVKMCFD-TXPKVOOTSA-N 2 2 342.487 3.132 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800578 457177164 /nfs/dbraw/zinc/17/71/64/457177164.db2.gz RUCYAJVUVKMCFD-TXPKVOOTSA-N 2 2 342.487 3.132 20 0 EGADLP CCc1nc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000356835159 457180925 /nfs/dbraw/zinc/18/09/25/457180925.db2.gz GREPBVPCVIDSHZ-UHFFFAOYSA-N 2 2 335.439 3.254 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)[NH+]2CCCC2)cc1 ZINC000356865305 457185391 /nfs/dbraw/zinc/18/53/91/457185391.db2.gz LIPAPAQKVLCHSP-QRFRQXIXSA-N 2 2 332.488 3.237 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356867094 457187387 /nfs/dbraw/zinc/18/73/87/457187387.db2.gz MLKSWINANJYMPX-UHFFFAOYSA-N 2 2 338.414 3.115 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000339660658 457198279 /nfs/dbraw/zinc/19/82/79/457198279.db2.gz IUOFPWWWJXRZRB-VQTJNVASSA-N 2 2 349.478 3.413 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000339660658 457198286 /nfs/dbraw/zinc/19/82/86/457198286.db2.gz IUOFPWWWJXRZRB-VQTJNVASSA-N 2 2 349.478 3.413 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045450 457201324 /nfs/dbraw/zinc/20/13/24/457201324.db2.gz NSBKPFUBNHMFMS-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000347045450 457201330 /nfs/dbraw/zinc/20/13/30/457201330.db2.gz NSBKPFUBNHMFMS-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347100471 457229880 /nfs/dbraw/zinc/22/98/80/457229880.db2.gz JSEFYLUVRCMBTM-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347100471 457229885 /nfs/dbraw/zinc/22/98/85/457229885.db2.gz JSEFYLUVRCMBTM-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000356951605 457239739 /nfs/dbraw/zinc/23/97/39/457239739.db2.gz ZDSWJUVMHKXJOO-UHFFFAOYSA-N 2 2 347.418 3.395 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000356951605 457239745 /nfs/dbraw/zinc/23/97/45/457239745.db2.gz ZDSWJUVMHKXJOO-UHFFFAOYSA-N 2 2 347.418 3.395 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000360078402 457242466 /nfs/dbraw/zinc/24/24/66/457242466.db2.gz WHJWHJHXXWNYKQ-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000360078402 457242470 /nfs/dbraw/zinc/24/24/70/457242470.db2.gz WHJWHJHXXWNYKQ-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000360078402 457242476 /nfs/dbraw/zinc/24/24/76/457242476.db2.gz WHJWHJHXXWNYKQ-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000360078402 457242479 /nfs/dbraw/zinc/24/24/79/457242479.db2.gz WHJWHJHXXWNYKQ-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347137578 457250476 /nfs/dbraw/zinc/25/04/76/457250476.db2.gz WWCPGNZZMGAHFL-IBGZPJMESA-N 2 2 328.412 3.012 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347137578 457250480 /nfs/dbraw/zinc/25/04/80/457250480.db2.gz WWCPGNZZMGAHFL-IBGZPJMESA-N 2 2 328.412 3.012 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852783 457262016 /nfs/dbraw/zinc/26/20/16/457262016.db2.gz WPYQBBDVOOHSGF-NVXWUHKLSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852783 457262019 /nfs/dbraw/zinc/26/20/19/457262019.db2.gz WPYQBBDVOOHSGF-NVXWUHKLSA-N 2 2 339.439 3.395 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390041 457275389 /nfs/dbraw/zinc/27/53/89/457275389.db2.gz UROVFIBBCVKHOG-RDTXWAMCSA-N 2 2 348.537 3.212 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390041 457275396 /nfs/dbraw/zinc/27/53/96/457275396.db2.gz UROVFIBBCVKHOG-RDTXWAMCSA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390041 457275402 /nfs/dbraw/zinc/27/54/02/457275402.db2.gz UROVFIBBCVKHOG-RDTXWAMCSA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)C1CC1 ZINC000351390041 457275404 /nfs/dbraw/zinc/27/54/04/457275404.db2.gz UROVFIBBCVKHOG-RDTXWAMCSA-N 2 2 348.537 3.212 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](CC(C)C)C(=O)Nc2nccs2)c[nH+]1 ZINC000354554652 457286878 /nfs/dbraw/zinc/28/68/78/457286878.db2.gz ZKLCGLBDGMTZQN-MRXNPFEDSA-N 2 2 346.500 3.422 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820609 457290024 /nfs/dbraw/zinc/29/00/24/457290024.db2.gz USLLNPOLDWGSNV-PXNSSMCTSA-N 2 2 326.488 3.236 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820609 457290033 /nfs/dbraw/zinc/29/00/33/457290033.db2.gz USLLNPOLDWGSNV-PXNSSMCTSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820609 457290037 /nfs/dbraw/zinc/29/00/37/457290037.db2.gz USLLNPOLDWGSNV-PXNSSMCTSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C ZINC000339820609 457290046 /nfs/dbraw/zinc/29/00/46/457290046.db2.gz USLLNPOLDWGSNV-PXNSSMCTSA-N 2 2 326.488 3.236 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000357046014 457295437 /nfs/dbraw/zinc/29/54/37/457295437.db2.gz XLMASLARGNOGNH-UHFFFAOYSA-N 2 2 347.418 3.217 20 0 EGADLP COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000357046014 457295441 /nfs/dbraw/zinc/29/54/41/457295441.db2.gz XLMASLARGNOGNH-UHFFFAOYSA-N 2 2 347.418 3.217 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360564387 457318842 /nfs/dbraw/zinc/31/88/42/457318842.db2.gz QQQFBWSGGVDHJF-SJCJKPOMSA-N 2 2 332.835 3.136 20 0 EGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360564387 457318847 /nfs/dbraw/zinc/31/88/47/457318847.db2.gz QQQFBWSGGVDHJF-SJCJKPOMSA-N 2 2 332.835 3.136 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209779 457328883 /nfs/dbraw/zinc/32/88/83/457328883.db2.gz RYOLJQCXLTWWRO-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209779 457328890 /nfs/dbraw/zinc/32/88/90/457328890.db2.gz RYOLJQCXLTWWRO-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1[nH+]c2ccccn2c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352009221 457329367 /nfs/dbraw/zinc/32/93/67/457329367.db2.gz TYSIKQKSBQUGPU-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1[nH+]c2ccccn2c1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000352009221 457329372 /nfs/dbraw/zinc/32/93/72/457329372.db2.gz TYSIKQKSBQUGPU-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000347325469 457353389 /nfs/dbraw/zinc/35/33/89/457353389.db2.gz DUOAQTSFZODBSG-UYWIDEMCSA-N 2 2 345.531 3.475 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000347325469 457353394 /nfs/dbraw/zinc/35/33/94/457353394.db2.gz DUOAQTSFZODBSG-UYWIDEMCSA-N 2 2 345.531 3.475 20 0 EGADLP Cc1ccn2c(CN3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c2c1 ZINC000352284994 457355019 /nfs/dbraw/zinc/35/50/19/457355019.db2.gz CSIFNQWEVWKONC-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccn2c(CN3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c2c1 ZINC000352284994 457355025 /nfs/dbraw/zinc/35/50/25/457355025.db2.gz CSIFNQWEVWKONC-FGTMMUONSA-N 2 2 326.488 3.480 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000342546044 457359736 /nfs/dbraw/zinc/35/97/36/457359736.db2.gz RLNYXKOHJPPKMO-HKUYMTLNSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000342546044 457359740 /nfs/dbraw/zinc/35/97/40/457359740.db2.gz RLNYXKOHJPPKMO-HKUYMTLNSA-N 2 2 326.484 3.369 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc3c(c1)OCCO3)CCC2 ZINC000378186749 457381824 /nfs/dbraw/zinc/38/18/24/457381824.db2.gz YPUZIYBBRUEHPN-GDBMZVCRSA-N 2 2 327.428 3.191 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000378186125 457381923 /nfs/dbraw/zinc/38/19/23/457381923.db2.gz VYSPWVYRYWJYPW-YOEHRIQHSA-N 2 2 343.471 3.307 20 0 EGADLP COCc1cc(NC[C@@H](C)C[NH+]2CCCC2)c2cc(F)ccc2[nH+]1 ZINC000357312358 457437934 /nfs/dbraw/zinc/43/79/34/457437934.db2.gz IVHLKUXGWGMCLM-CQSZACIVSA-N 2 2 331.435 3.086 20 0 EGADLP COc1cc[nH+]c(CN(CC[NH+]2CCCCCC2)C2CCC2)c1OC ZINC000347470394 457450720 /nfs/dbraw/zinc/45/07/20/457450720.db2.gz HHHYJOLUPCWQCF-UHFFFAOYSA-N 2 2 347.503 3.329 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000342726888 457482336 /nfs/dbraw/zinc/48/23/36/457482336.db2.gz BMDTYGHZBQGDFK-AQNXPRMDSA-N 2 2 345.531 3.363 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000342726888 457482342 /nfs/dbraw/zinc/48/23/42/457482342.db2.gz BMDTYGHZBQGDFK-AQNXPRMDSA-N 2 2 345.531 3.363 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@]2(C)CCCc3ccccc32)CC1 ZINC000360984514 457490619 /nfs/dbraw/zinc/49/06/19/457490619.db2.gz RFFWBWJRJMFHFB-NRFANRHFSA-N 2 2 344.499 3.245 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312846 457493420 /nfs/dbraw/zinc/49/34/20/457493420.db2.gz HKQZZECAZHBNKC-AEFFLSMTSA-N 2 2 342.487 3.168 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312846 457493425 /nfs/dbraw/zinc/49/34/25/457493425.db2.gz HKQZZECAZHBNKC-AEFFLSMTSA-N 2 2 342.487 3.168 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000342765652 457509468 /nfs/dbraw/zinc/50/94/68/457509468.db2.gz POYPPWHPJYEZMN-MRXNPFEDSA-N 2 2 326.444 3.288 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000342772781 457514451 /nfs/dbraw/zinc/51/44/51/457514451.db2.gz BLALJKQJWZITCH-UHFFFAOYSA-N 2 2 342.487 3.069 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)n1C ZINC000425371578 457524417 /nfs/dbraw/zinc/52/44/17/457524417.db2.gz QJTQNEWZRKYSEU-LJQANCHMSA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)n1C ZINC000425371578 457524423 /nfs/dbraw/zinc/52/44/23/457524423.db2.gz QJTQNEWZRKYSEU-LJQANCHMSA-N 2 2 330.451 3.222 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000425386514 457530233 /nfs/dbraw/zinc/53/02/33/457530233.db2.gz TXIAPHQLYNBCDL-BEFAXECRSA-N 2 2 347.478 3.397 20 0 EGADLP COc1cc[nH+]c(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000347598748 457538058 /nfs/dbraw/zinc/53/80/58/457538058.db2.gz KBAIKTQHSHVGCG-IRXDYDNUSA-N 2 2 325.456 3.185 20 0 EGADLP COc1cc[nH+]c(CN2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000347598748 457538064 /nfs/dbraw/zinc/53/80/64/457538064.db2.gz KBAIKTQHSHVGCG-IRXDYDNUSA-N 2 2 325.456 3.185 20 0 EGADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063687 457558464 /nfs/dbraw/zinc/55/84/64/457558464.db2.gz UOJWIUPEICOBIC-GOSISDBHSA-N 2 2 348.535 3.268 20 0 EGADLP CCC[C@H]1CN(Cc2[nH+]ccn2CC)CC[N@@H+]1Cc1ccccc1 ZINC000342860945 457561271 /nfs/dbraw/zinc/56/12/71/457561271.db2.gz KQOFSEOIRGKBAT-IBGZPJMESA-N 2 2 326.488 3.390 20 0 EGADLP CCC[C@H]1CN(Cc2[nH+]ccn2CC)CC[N@H+]1Cc1ccccc1 ZINC000342860945 457561276 /nfs/dbraw/zinc/56/12/76/457561276.db2.gz KQOFSEOIRGKBAT-IBGZPJMESA-N 2 2 326.488 3.390 20 0 EGADLP CC1(C)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@]2(CCCOC2)O1 ZINC000361109861 457587274 /nfs/dbraw/zinc/58/72/74/457587274.db2.gz FWVCITWSFYSZJZ-SFHVURJKSA-N 2 2 347.484 3.094 20 0 EGADLP CC1(C)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@]2(CCCOC2)O1 ZINC000361109861 457587276 /nfs/dbraw/zinc/58/72/76/457587276.db2.gz FWVCITWSFYSZJZ-SFHVURJKSA-N 2 2 347.484 3.094 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125801 457596990 /nfs/dbraw/zinc/59/69/90/457596990.db2.gz KZRHTAAILIHYPC-JXFKEZNVSA-N 2 2 344.503 3.089 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125801 457596994 /nfs/dbraw/zinc/59/69/94/457596994.db2.gz KZRHTAAILIHYPC-JXFKEZNVSA-N 2 2 344.503 3.089 20 0 EGADLP c1cn(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360733 457629793 /nfs/dbraw/zinc/62/97/93/457629793.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360733 457629798 /nfs/dbraw/zinc/62/97/98/457629798.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360733 457629803 /nfs/dbraw/zinc/62/98/03/457629803.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 3 2 338.499 3.261 20 0 EGADLP c1cn(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000370360733 457629809 /nfs/dbraw/zinc/62/98/09/457629809.db2.gz ZXRDHVKTTBHURT-OAQYLSRUSA-N 3 2 338.499 3.261 20 0 EGADLP C[N@H+](C/C=C\c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940203 457655414 /nfs/dbraw/zinc/65/54/14/457655414.db2.gz GMRPYKWZVMSYIY-NGHDKMLMSA-N 2 2 336.479 3.269 20 0 EGADLP C[N@@H+](C/C=C\c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940203 457655418 /nfs/dbraw/zinc/65/54/18/457655418.db2.gz GMRPYKWZVMSYIY-NGHDKMLMSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C\c1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940203 457655423 /nfs/dbraw/zinc/65/54/23/457655423.db2.gz GMRPYKWZVMSYIY-NGHDKMLMSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C\c1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940203 457655431 /nfs/dbraw/zinc/65/54/31/457655431.db2.gz GMRPYKWZVMSYIY-NGHDKMLMSA-N 2 2 336.479 3.269 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361232260 457658806 /nfs/dbraw/zinc/65/88/06/457658806.db2.gz XWJFZFRNAUQUAY-OALUTQOASA-N 2 2 331.504 3.012 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361232260 457658810 /nfs/dbraw/zinc/65/88/10/457658810.db2.gz XWJFZFRNAUQUAY-OALUTQOASA-N 2 2 331.504 3.012 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000357772816 457684579 /nfs/dbraw/zinc/68/45/79/457684579.db2.gz CZIRGNLRDWMQOQ-AWEZNQCLSA-N 2 2 327.476 3.110 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000357772816 457684583 /nfs/dbraw/zinc/68/45/83/457684583.db2.gz CZIRGNLRDWMQOQ-AWEZNQCLSA-N 2 2 327.476 3.110 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000357840149 457707457 /nfs/dbraw/zinc/70/74/57/457707457.db2.gz UVYVESKEJPZEKO-UHFFFAOYSA-N 2 2 340.471 3.033 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(F)c1 ZINC000361368540 457708430 /nfs/dbraw/zinc/70/84/30/457708430.db2.gz QRFKHADGOFXBCH-UHFFFAOYSA-N 2 2 334.357 3.341 20 0 EGADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc2[nH+]ccn2c1)[NH+](C)C ZINC000357885032 457723991 /nfs/dbraw/zinc/72/39/91/457723991.db2.gz ZFHRAQBGMMENQF-DNVCBOLYSA-N 2 2 336.439 3.064 20 0 EGADLP CCS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361440493 457732909 /nfs/dbraw/zinc/73/29/09/457732909.db2.gz OQATXIBADALQIX-DLBZAZTESA-N 2 2 342.549 3.058 20 0 EGADLP FC(F)(F)OCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000361460274 457738951 /nfs/dbraw/zinc/73/89/51/457738951.db2.gz UKCWCPIGNHQGIU-UHFFFAOYSA-N 2 2 336.785 3.430 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021160 457741970 /nfs/dbraw/zinc/74/19/70/457741970.db2.gz MKDVONUTLXCQCW-OXQOHEQNSA-N 2 2 326.488 3.043 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021160 457741975 /nfs/dbraw/zinc/74/19/75/457741975.db2.gz MKDVONUTLXCQCW-OXQOHEQNSA-N 2 2 326.488 3.043 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022244 457742964 /nfs/dbraw/zinc/74/29/64/457742964.db2.gz IPEALTVMHYKYJV-YRVVQQKDSA-N 2 2 342.462 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022244 457742966 /nfs/dbraw/zinc/74/29/66/457742966.db2.gz IPEALTVMHYKYJV-YRVVQQKDSA-N 2 2 342.462 3.453 20 0 EGADLP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OC(F)(F)F ZINC000361471820 457743135 /nfs/dbraw/zinc/74/31/35/457743135.db2.gz VBVWIHHTXPMOGW-HNNXBMFYSA-N 2 2 346.393 3.084 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)[C@@H](C)C1 ZINC000358024543 457743379 /nfs/dbraw/zinc/74/33/79/457743379.db2.gz QZHUMJVFBJGMJB-GLQYFDAESA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCOc3ccc(Br)cc32)[C@@H](C)C1 ZINC000358024543 457743374 /nfs/dbraw/zinc/74/33/74/457743374.db2.gz QZHUMJVFBJGMJB-GLQYFDAESA-N 2 2 339.277 3.203 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000358066039 457764433 /nfs/dbraw/zinc/76/44/33/457764433.db2.gz UIMXTFQKKUFIFY-VQIMIIECSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccccc1F ZINC000358066039 457764438 /nfs/dbraw/zinc/76/44/38/457764438.db2.gz UIMXTFQKKUFIFY-VQIMIIECSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358081848 457774614 /nfs/dbraw/zinc/77/46/14/457774614.db2.gz IYMWBXJMYAMSQG-NUJGCVRESA-N 2 2 332.488 3.217 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358081848 457774620 /nfs/dbraw/zinc/77/46/20/457774620.db2.gz IYMWBXJMYAMSQG-NUJGCVRESA-N 2 2 332.488 3.217 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccncc2)C1 ZINC000426170801 457781618 /nfs/dbraw/zinc/78/16/18/457781618.db2.gz QRVUBVUZYUPMEO-OAJJDEHYSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccncc2)C1 ZINC000426170801 457781624 /nfs/dbraw/zinc/78/16/24/457781624.db2.gz QRVUBVUZYUPMEO-OAJJDEHYSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccncc2)C1 ZINC000426170801 457781627 /nfs/dbraw/zinc/78/16/27/457781627.db2.gz QRVUBVUZYUPMEO-OAJJDEHYSA-N 2 2 342.512 3.314 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000426170801 457781633 /nfs/dbraw/zinc/78/16/33/457781633.db2.gz QRVUBVUZYUPMEO-OAJJDEHYSA-N 2 2 342.512 3.314 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411216746 457832869 /nfs/dbraw/zinc/83/28/69/457832869.db2.gz FPFXDKIKKAAYPB-KJNZLNQQSA-N 2 2 345.506 3.172 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411216746 457832875 /nfs/dbraw/zinc/83/28/75/457832875.db2.gz FPFXDKIKKAAYPB-KJNZLNQQSA-N 2 2 345.506 3.172 20 0 EGADLP Cc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000443986803 457834004 /nfs/dbraw/zinc/83/40/04/457834004.db2.gz IMDZIHIEKVZDIQ-QGZVFWFLSA-N 2 2 344.890 3.218 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444207800 457867266 /nfs/dbraw/zinc/86/72/66/457867266.db2.gz WMRSTCAVUBOOEA-OBKDMQGPSA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444207800 457867272 /nfs/dbraw/zinc/86/72/72/457867272.db2.gz WMRSTCAVUBOOEA-OBKDMQGPSA-N 2 2 349.563 3.124 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000444265159 457876380 /nfs/dbraw/zinc/87/63/80/457876380.db2.gz JHTSRDMODUKGNQ-PXNSSMCTSA-N 2 2 338.455 3.288 20 0 EGADLP C[C@H](CCNc1cc(N2CCCC2)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000433771265 457881497 /nfs/dbraw/zinc/88/14/97/457881497.db2.gz OMQYTYVUQVGWGW-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@H](CCNc1cc(N2CCCC2)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000433771265 457881502 /nfs/dbraw/zinc/88/15/02/457881502.db2.gz OMQYTYVUQVGWGW-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@H](CCNc1cc(N2CCCC2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000433771265 457881510 /nfs/dbraw/zinc/88/15/10/457881510.db2.gz OMQYTYVUQVGWGW-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@H](CCNc1cc(N2CCCC2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000433771265 457881515 /nfs/dbraw/zinc/88/15/15/457881515.db2.gz OMQYTYVUQVGWGW-QGZVFWFLSA-N 2 2 339.487 3.399 20 0 EGADLP CC(C)c1nc(N2CC[C@H](OCC[NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000433775827 457882920 /nfs/dbraw/zinc/88/29/20/457882920.db2.gz VZFCMGFIOUVXLT-HNNXBMFYSA-N 2 2 334.508 3.054 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000411428778 457886155 /nfs/dbraw/zinc/88/61/55/457886155.db2.gz PHLHKPHKRPKESS-AWEZNQCLSA-N 2 2 326.400 3.123 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000411428778 457886160 /nfs/dbraw/zinc/88/61/60/457886160.db2.gz PHLHKPHKRPKESS-AWEZNQCLSA-N 2 2 326.400 3.123 20 0 EGADLP Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411436666 457888525 /nfs/dbraw/zinc/88/85/25/457888525.db2.gz GCVLUKSNDZMMFS-IBGZPJMESA-N 2 2 339.487 3.138 20 0 EGADLP Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411436666 457888530 /nfs/dbraw/zinc/88/85/30/457888530.db2.gz GCVLUKSNDZMMFS-IBGZPJMESA-N 2 2 339.487 3.138 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)sc2C1 ZINC000433990611 457926686 /nfs/dbraw/zinc/92/66/86/457926686.db2.gz QCFTVSIRFYSLAL-XJKCOSOUSA-N 2 2 346.500 3.011 20 0 EGADLP COc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433992387 457927879 /nfs/dbraw/zinc/92/78/79/457927879.db2.gz ZRIGUFPASRREDQ-SJCJKPOMSA-N 2 2 335.835 3.092 20 0 EGADLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(OC)c(OC)c1 ZINC000361968025 457983610 /nfs/dbraw/zinc/98/36/10/457983610.db2.gz YIOAKNXWLMNWRX-MAUKXSAKSA-N 2 2 338.517 3.182 20 0 EGADLP c1nc2ccccn2c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434670874 458032535 /nfs/dbraw/zinc/03/25/35/458032535.db2.gz RVIUTVIUZZHJDL-UHFFFAOYSA-N 2 2 335.455 3.247 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@@]12CCCO2 ZINC000358572422 458083767 /nfs/dbraw/zinc/08/37/67/458083767.db2.gz PZOTUQXUALGPSU-RQXATKFSSA-N 2 2 344.499 3.138 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@@]12CCCO2 ZINC000358572422 458083774 /nfs/dbraw/zinc/08/37/74/458083774.db2.gz PZOTUQXUALGPSU-RQXATKFSSA-N 2 2 344.499 3.138 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000375838445 458088965 /nfs/dbraw/zinc/08/89/65/458088965.db2.gz JFDWIIJVAPYRKU-OLZOCXBDSA-N 2 2 333.457 3.268 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000428286596 458112876 /nfs/dbraw/zinc/11/28/76/458112876.db2.gz KNAGBAHBXIGJDK-UHFFFAOYSA-N 2 2 332.879 3.053 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435379316 458128961 /nfs/dbraw/zinc/12/89/61/458128961.db2.gz LZPNSRKYMVNEAW-ZDUSSCGKSA-N 2 2 331.847 3.371 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000435379316 458128965 /nfs/dbraw/zinc/12/89/65/458128965.db2.gz LZPNSRKYMVNEAW-ZDUSSCGKSA-N 2 2 331.847 3.371 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000435383112 458131261 /nfs/dbraw/zinc/13/12/61/458131261.db2.gz FCZMMPCIBQRZGR-HNAYVOBHSA-N 2 2 325.456 3.459 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000435383112 458131268 /nfs/dbraw/zinc/13/12/68/458131268.db2.gz FCZMMPCIBQRZGR-HNAYVOBHSA-N 2 2 325.456 3.459 20 0 EGADLP Cc1cccn2c(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c[nH+]c12 ZINC000435388558 458134688 /nfs/dbraw/zinc/13/46/88/458134688.db2.gz GKKIPBSVHCBSIR-LJQANCHMSA-N 2 2 349.482 3.182 20 0 EGADLP C[N@H+](Cc1ccc(Cl)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437286 458143292 /nfs/dbraw/zinc/14/32/92/458143292.db2.gz HQVPGJMKQJPDHY-SFHVURJKSA-N 2 2 334.847 3.002 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428437286 458143299 /nfs/dbraw/zinc/14/32/99/458143299.db2.gz HQVPGJMKQJPDHY-SFHVURJKSA-N 2 2 334.847 3.002 20 0 EGADLP C[NH+](Cc1ccc(Cl)o1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428437286 458143307 /nfs/dbraw/zinc/14/33/07/458143307.db2.gz HQVPGJMKQJPDHY-SFHVURJKSA-N 2 2 334.847 3.002 20 0 EGADLP C[NH+](Cc1ccc(Cl)o1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428437286 458143312 /nfs/dbraw/zinc/14/33/12/458143312.db2.gz HQVPGJMKQJPDHY-SFHVURJKSA-N 2 2 334.847 3.002 20 0 EGADLP Cn1ccnc1C[N@H+](C/C=C/c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432732 458144202 /nfs/dbraw/zinc/14/42/02/458144202.db2.gz OMJGBHICIGJCEY-MTCRFPMVSA-N 2 2 336.483 3.078 20 0 EGADLP Cn1ccnc1C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432732 458144210 /nfs/dbraw/zinc/14/42/10/458144210.db2.gz OMJGBHICIGJCEY-MTCRFPMVSA-N 2 2 336.483 3.078 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccco1 ZINC000458766171 458164237 /nfs/dbraw/zinc/16/42/37/458164237.db2.gz LETLJIHHWAWUMR-RHSMWYFYSA-N 2 2 344.459 3.220 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617916 458173619 /nfs/dbraw/zinc/17/36/19/458173619.db2.gz REAQDFMTNOXLNW-JXFKEZNVSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617916 458173625 /nfs/dbraw/zinc/17/36/25/458173625.db2.gz REAQDFMTNOXLNW-JXFKEZNVSA-N 2 2 339.483 3.091 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000412406407 458194550 /nfs/dbraw/zinc/19/45/50/458194550.db2.gz YEXSUSURHNXPHI-BBRMVZONSA-N 2 2 346.475 3.003 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538113 458307780 /nfs/dbraw/zinc/30/77/80/458307780.db2.gz ASUCDLQMMRGMMW-OXJNMPFZSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538113 458307784 /nfs/dbraw/zinc/30/77/84/458307784.db2.gz ASUCDLQMMRGMMW-OXJNMPFZSA-N 2 2 328.456 3.184 20 0 EGADLP CSC[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289911 458308759 /nfs/dbraw/zinc/30/87/59/458308759.db2.gz CUZSYFSACBOCFY-PMACEKPBSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429289911 458308763 /nfs/dbraw/zinc/30/87/63/458308763.db2.gz CUZSYFSACBOCFY-PMACEKPBSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289911 458308773 /nfs/dbraw/zinc/30/87/73/458308773.db2.gz CUZSYFSACBOCFY-PMACEKPBSA-N 2 2 348.556 3.353 20 0 EGADLP CSC[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429289911 458308781 /nfs/dbraw/zinc/30/87/81/458308781.db2.gz CUZSYFSACBOCFY-PMACEKPBSA-N 2 2 348.556 3.353 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459319470 458329048 /nfs/dbraw/zinc/32/90/48/458329048.db2.gz DOCBGWXXSRKMPH-KRWDZBQOSA-N 2 2 328.504 3.298 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459319470 458329053 /nfs/dbraw/zinc/32/90/53/458329053.db2.gz DOCBGWXXSRKMPH-KRWDZBQOSA-N 2 2 328.504 3.298 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC3CCC(F)(F)CC3)CC2)c1 ZINC000459339977 458335678 /nfs/dbraw/zinc/33/56/78/458335678.db2.gz ODZHHWCPXHGECY-UHFFFAOYSA-N 2 2 325.403 3.038 20 0 EGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459342480 458336619 /nfs/dbraw/zinc/33/66/19/458336619.db2.gz ROEPDODPGQZSTN-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459342480 458336623 /nfs/dbraw/zinc/33/66/23/458336623.db2.gz ROEPDODPGQZSTN-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP CCCN(CCc1c[nH+]cn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459342480 458336630 /nfs/dbraw/zinc/33/66/30/458336630.db2.gz ROEPDODPGQZSTN-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP CCCN(CCc1c[nH+]cn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459342480 458336635 /nfs/dbraw/zinc/33/66/35/458336635.db2.gz ROEPDODPGQZSTN-NRFANRHFSA-N 2 2 340.515 3.339 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C2CC(OC(C)C)C2)[C@@H]1c1cnn(C)c1 ZINC000459416935 458363896 /nfs/dbraw/zinc/36/38/96/458363896.db2.gz RCRWCXQLELNWQD-CMTQZCSUSA-N 2 2 348.535 3.081 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C2CC(OC(C)C)C2)[C@@H]1c1cnn(C)c1 ZINC000459416935 458363901 /nfs/dbraw/zinc/36/39/01/458363901.db2.gz RCRWCXQLELNWQD-CMTQZCSUSA-N 2 2 348.535 3.081 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C2CC(OC(C)C)C2)[C@@H]1c1cnn(C)c1 ZINC000459416935 458363905 /nfs/dbraw/zinc/36/39/05/458363905.db2.gz RCRWCXQLELNWQD-CMTQZCSUSA-N 2 2 348.535 3.081 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C2CC(OC(C)C)C2)[C@@H]1c1cnn(C)c1 ZINC000459416935 458363908 /nfs/dbraw/zinc/36/39/08/458363908.db2.gz RCRWCXQLELNWQD-CMTQZCSUSA-N 2 2 348.535 3.081 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459457785 458377468 /nfs/dbraw/zinc/37/74/68/458377468.db2.gz PZKXTKVWNQWWQN-VXKWHMMOSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459457785 458377473 /nfs/dbraw/zinc/37/74/73/458377473.db2.gz PZKXTKVWNQWWQN-VXKWHMMOSA-N 2 2 336.479 3.289 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459464426 458380112 /nfs/dbraw/zinc/38/01/12/458380112.db2.gz OVUCFFGYCAXQHD-NSHDSACASA-N 2 2 344.425 3.340 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1OCc1ccccn1)CCCC2 ZINC000376768388 458387059 /nfs/dbraw/zinc/38/70/59/458387059.db2.gz NJNKKCUSHBJMPH-UHFFFAOYSA-N 2 2 348.450 3.483 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000373099862 458397346 /nfs/dbraw/zinc/39/73/46/458397346.db2.gz OXPRSUMKPDQZHV-AWEZNQCLSA-N 2 2 346.862 3.282 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000373099862 458397349 /nfs/dbraw/zinc/39/73/49/458397349.db2.gz OXPRSUMKPDQZHV-AWEZNQCLSA-N 2 2 346.862 3.282 20 0 EGADLP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430111824 458403186 /nfs/dbraw/zinc/40/31/86/458403186.db2.gz VAGXWLSMDOMVDD-NRFANRHFSA-N 2 2 338.451 3.139 20 0 EGADLP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430111824 458403191 /nfs/dbraw/zinc/40/31/91/458403191.db2.gz VAGXWLSMDOMVDD-NRFANRHFSA-N 2 2 338.451 3.139 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373225577 458435503 /nfs/dbraw/zinc/43/55/03/458435503.db2.gz FTCLKEBKESGDAX-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373225577 458435508 /nfs/dbraw/zinc/43/55/08/458435508.db2.gz FTCLKEBKESGDAX-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)c(Br)c1 ZINC000423562509 458458251 /nfs/dbraw/zinc/45/82/51/458458251.db2.gz QNHUYVNUCHRARV-LLVKDONJSA-N 2 2 327.266 3.250 20 0 EGADLP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000423495626 458443423 /nfs/dbraw/zinc/44/34/23/458443423.db2.gz CEPRLONVEGGYOB-OAQYLSRUSA-N 3 2 338.499 3.116 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423505118 458445658 /nfs/dbraw/zinc/44/56/58/458445658.db2.gz GMYFUUUXGBRDDD-AEFFLSMTSA-N 2 2 349.931 3.179 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000423508294 458445668 /nfs/dbraw/zinc/44/56/68/458445668.db2.gz HXPLEFWOIJXZHI-OFNKIYASSA-N 2 2 345.490 3.422 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423506595 458446561 /nfs/dbraw/zinc/44/65/61/458446561.db2.gz HFZKGQLNXIMSRJ-WBVHZDCISA-N 2 2 343.446 3.172 20 0 EGADLP CC(C)C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423516841 458448923 /nfs/dbraw/zinc/44/89/23/458448923.db2.gz HAWDWMIBULGEPN-CVEARBPZSA-N 2 2 330.394 3.371 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)CCC3)cc1 ZINC000423520955 458449758 /nfs/dbraw/zinc/44/97/58/458449758.db2.gz KUAKIPWPRRDPDR-HOTGVXAUSA-N 2 2 343.496 3.074 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423527124 458452950 /nfs/dbraw/zinc/45/29/50/458452950.db2.gz RFNFPZGLZJCSQQ-FOIQADDNSA-N 2 2 344.430 3.044 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000430490701 458454054 /nfs/dbraw/zinc/45/40/54/458454054.db2.gz GKVAUKAOMUHTEJ-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000430490701 458454057 /nfs/dbraw/zinc/45/40/57/458454057.db2.gz GKVAUKAOMUHTEJ-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423548122 458455784 /nfs/dbraw/zinc/45/57/84/458455784.db2.gz DQRBZHDYBZPMBF-SJLPKXTDSA-N 2 2 332.488 3.084 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000430545144 458458556 /nfs/dbraw/zinc/45/85/56/458458556.db2.gz HHGGHKLNLSZNBZ-GOSISDBHSA-N 2 2 326.488 3.166 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000430545144 458458562 /nfs/dbraw/zinc/45/85/62/458458562.db2.gz HHGGHKLNLSZNBZ-GOSISDBHSA-N 2 2 326.488 3.166 20 0 EGADLP CC[C@H](C)[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000423580636 458459068 /nfs/dbraw/zinc/45/90/68/458459068.db2.gz SSOAVGZXIUPMLJ-ULQDDVLXSA-N 2 2 346.519 3.056 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H]1C[NH3+] ZINC000430553099 458459410 /nfs/dbraw/zinc/45/94/10/458459410.db2.gz CMONHUYJRIRBIO-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H]1C[NH3+] ZINC000430553099 458459418 /nfs/dbraw/zinc/45/94/18/458459418.db2.gz CMONHUYJRIRBIO-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574843 458463168 /nfs/dbraw/zinc/46/31/68/458463168.db2.gz TUPOBPDAJRCZSO-QBYUYEEZSA-N 2 2 343.471 3.058 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574843 458463175 /nfs/dbraw/zinc/46/31/75/458463175.db2.gz TUPOBPDAJRCZSO-QBYUYEEZSA-N 2 2 343.471 3.058 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)ccc1F ZINC000430570652 458463922 /nfs/dbraw/zinc/46/39/22/458463922.db2.gz BUHBXPGIWSMQPD-YDHLFZDLSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)n2)ccc1F ZINC000430570652 458463929 /nfs/dbraw/zinc/46/39/29/458463929.db2.gz BUHBXPGIWSMQPD-YDHLFZDLSA-N 2 2 332.423 3.304 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579241 458464924 /nfs/dbraw/zinc/46/49/24/458464924.db2.gz YIKHLDBNNUCUTL-FZMZJTMJSA-N 2 2 329.847 3.111 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000430579241 458464930 /nfs/dbraw/zinc/46/49/30/458464930.db2.gz YIKHLDBNNUCUTL-FZMZJTMJSA-N 2 2 329.847 3.111 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000430576356 458465003 /nfs/dbraw/zinc/46/50/03/458465003.db2.gz XCUCDJBINDTHHY-NHCUHLMSSA-N 2 2 343.515 3.141 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577389 458465573 /nfs/dbraw/zinc/46/55/73/458465573.db2.gz UQMSWNXDIJOQKT-MOPGFXCFSA-N 2 2 331.504 3.045 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577389 458465581 /nfs/dbraw/zinc/46/55/81/458465581.db2.gz UQMSWNXDIJOQKT-MOPGFXCFSA-N 2 2 331.504 3.045 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430582480 458466634 /nfs/dbraw/zinc/46/66/34/458466634.db2.gz KRWZCVGCJGGTJL-DLBZAZTESA-N 2 2 343.515 3.025 20 0 EGADLP COc1ccc2cc(C[N@H+](C)Cc3nc(C(C)(C)[NH3+])no3)ccc2c1 ZINC000430588580 458468272 /nfs/dbraw/zinc/46/82/72/458468272.db2.gz FCKCQHHYDCDFMQ-UHFFFAOYSA-N 2 2 340.427 3.057 20 0 EGADLP COc1ccc2cc(C[N@@H+](C)Cc3nc(C(C)(C)[NH3+])no3)ccc2c1 ZINC000430588580 458468277 /nfs/dbraw/zinc/46/82/77/458468277.db2.gz FCKCQHHYDCDFMQ-UHFFFAOYSA-N 2 2 340.427 3.057 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603393 458470989 /nfs/dbraw/zinc/47/09/89/458470989.db2.gz YOXBAJUJAIVJFY-HUUCEWRRSA-N 2 2 342.462 3.059 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603393 458470990 /nfs/dbraw/zinc/47/09/90/458470990.db2.gz YOXBAJUJAIVJFY-HUUCEWRRSA-N 2 2 342.462 3.059 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638595 458474410 /nfs/dbraw/zinc/47/44/10/458474410.db2.gz FXFFLWABIKEJDS-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638595 458474412 /nfs/dbraw/zinc/47/44/12/458474412.db2.gz FXFFLWABIKEJDS-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000430916835 458505633 /nfs/dbraw/zinc/50/56/33/458505633.db2.gz IKMRIEULJFUKIS-FHLIZLRMSA-N 2 2 349.494 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000430916835 458505637 /nfs/dbraw/zinc/50/56/37/458505637.db2.gz IKMRIEULJFUKIS-FHLIZLRMSA-N 2 2 349.494 3.088 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430972874 458512306 /nfs/dbraw/zinc/51/23/06/458512306.db2.gz RWWWWCJCUQRPON-OZOXKJRCSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430972874 458512310 /nfs/dbraw/zinc/51/23/10/458512310.db2.gz RWWWWCJCUQRPON-OZOXKJRCSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430968254 458512708 /nfs/dbraw/zinc/51/27/08/458512708.db2.gz WKGWECVOUMOUPW-RWMBFGLXSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430968254 458512712 /nfs/dbraw/zinc/51/27/12/458512712.db2.gz WKGWECVOUMOUPW-RWMBFGLXSA-N 2 2 343.393 3.092 20 0 EGADLP CCC[N@H+](CC(=O)Nc1c(CC)cccc1CC)C1CC[NH2+]CC1 ZINC000431093713 458528841 /nfs/dbraw/zinc/52/88/41/458528841.db2.gz MXKKCAMKTBJEII-UHFFFAOYSA-N 2 2 331.504 3.214 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)C1CC[NH2+]CC1 ZINC000431093713 458528844 /nfs/dbraw/zinc/52/88/44/458528844.db2.gz MXKKCAMKTBJEII-UHFFFAOYSA-N 2 2 331.504 3.214 20 0 EGADLP COC(=O)[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000438119890 458537752 /nfs/dbraw/zinc/53/77/52/458537752.db2.gz QINAVUVDELQSFX-RHSMWYFYSA-N 2 2 347.846 3.224 20 0 EGADLP COC(=O)[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000438119890 458537757 /nfs/dbraw/zinc/53/77/57/458537757.db2.gz QINAVUVDELQSFX-RHSMWYFYSA-N 2 2 347.846 3.224 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1)CCC2 ZINC000377993237 458593179 /nfs/dbraw/zinc/59/31/79/458593179.db2.gz FLTJXGCDMVKMCE-HOCLYGCPSA-N 2 2 326.444 3.076 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC(C)(C)C)CC1 ZINC000462109875 458594714 /nfs/dbraw/zinc/59/47/14/458594714.db2.gz BPIGOQHDKGYUEJ-UHFFFAOYSA-N 2 2 334.504 3.373 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000494149295 458633795 /nfs/dbraw/zinc/63/37/95/458633795.db2.gz XKRZSFDJHFVDIG-HNNXBMFYSA-N 2 2 348.491 3.236 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000439078946 458650919 /nfs/dbraw/zinc/65/09/19/458650919.db2.gz RKAZBDUIPXKGQT-AWEZNQCLSA-N 2 2 333.476 3.179 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCC(C)C ZINC000494392368 458668999 /nfs/dbraw/zinc/66/89/99/458668999.db2.gz OFSDNPUPUUICIH-MRXNPFEDSA-N 2 2 329.444 3.031 20 0 EGADLP CCCCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000494390120 458669296 /nfs/dbraw/zinc/66/92/96/458669296.db2.gz FOYZAFVIMXHXCI-MRXNPFEDSA-N 2 2 329.444 3.175 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494429791 458674954 /nfs/dbraw/zinc/67/49/54/458674954.db2.gz KZRUAUOFXKDYHK-MRXNPFEDSA-N 2 2 341.846 3.135 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000494468947 458683835 /nfs/dbraw/zinc/68/38/35/458683835.db2.gz SMXCALAKWFOBQM-CYBMUJFWSA-N 2 2 327.291 3.280 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217184 458719303 /nfs/dbraw/zinc/71/93/03/458719303.db2.gz FQNHZACDUOUPRD-CRAIPNDOSA-N 2 2 344.503 3.496 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494665811 458725340 /nfs/dbraw/zinc/72/53/40/458725340.db2.gz DZMLHBUNCDJJOJ-HOTGVXAUSA-N 2 2 349.906 3.077 20 0 EGADLP CCCc1noc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852371 458742930 /nfs/dbraw/zinc/74/29/30/458742930.db2.gz VSQUNAUADVGBIF-ROUUACIJSA-N 2 2 342.487 3.194 20 0 EGADLP CCCc1noc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471852371 458742932 /nfs/dbraw/zinc/74/29/32/458742932.db2.gz VSQUNAUADVGBIF-ROUUACIJSA-N 2 2 342.487 3.194 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495018936 458784256 /nfs/dbraw/zinc/78/42/56/458784256.db2.gz QQUWANJPTQKGJS-GDBMZVCRSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495018936 458784261 /nfs/dbraw/zinc/78/42/61/458784261.db2.gz QQUWANJPTQKGJS-GDBMZVCRSA-N 2 2 326.444 3.179 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000472351670 458791437 /nfs/dbraw/zinc/79/14/37/458791437.db2.gz XDNFHTWXDKCSMI-SJLPKXTDSA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000472351670 458791444 /nfs/dbraw/zinc/79/14/44/458791444.db2.gz XDNFHTWXDKCSMI-SJLPKXTDSA-N 2 2 348.441 3.450 20 0 EGADLP C[N@@H+]1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1(C)C ZINC000440648985 458838185 /nfs/dbraw/zinc/83/81/85/458838185.db2.gz FLKCGMNLVGNUMS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP C[N@H+]1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1(C)C ZINC000440648985 458838187 /nfs/dbraw/zinc/83/81/87/458838187.db2.gz FLKCGMNLVGNUMS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CN1CC[N@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1(C)C ZINC000440648985 458838190 /nfs/dbraw/zinc/83/81/90/458838190.db2.gz FLKCGMNLVGNUMS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CN1CC[N@@H+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1(C)C ZINC000440648985 458838194 /nfs/dbraw/zinc/83/81/94/458838194.db2.gz FLKCGMNLVGNUMS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440815958 458856804 /nfs/dbraw/zinc/85/68/04/458856804.db2.gz LAGQXDKBQBQYFQ-UHFFFAOYSA-N 2 2 337.349 3.038 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000531143417 458878201 /nfs/dbraw/zinc/87/82/01/458878201.db2.gz MFBSMFSIXYAGAJ-ZWOKBUDYSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000531143417 458878207 /nfs/dbraw/zinc/87/82/07/458878207.db2.gz MFBSMFSIXYAGAJ-ZWOKBUDYSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000531143417 458878211 /nfs/dbraw/zinc/87/82/11/458878211.db2.gz MFBSMFSIXYAGAJ-ZWOKBUDYSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000531143417 458878217 /nfs/dbraw/zinc/87/82/17/458878217.db2.gz MFBSMFSIXYAGAJ-ZWOKBUDYSA-N 2 2 345.531 3.231 20 0 EGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000474463840 458887288 /nfs/dbraw/zinc/88/72/88/458887288.db2.gz HOFBKYSKADLOPY-IRXDYDNUSA-N 2 2 326.550 3.143 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000466889963 458929795 /nfs/dbraw/zinc/92/97/95/458929795.db2.gz FSPNGRGBJQGUJR-BWAGFHJFSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000466889963 458929802 /nfs/dbraw/zinc/92/98/02/458929802.db2.gz FSPNGRGBJQGUJR-BWAGFHJFSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000466905643 458930985 /nfs/dbraw/zinc/93/09/85/458930985.db2.gz HHLWEIMJONQWHK-BVYCBKJFSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466905643 458930992 /nfs/dbraw/zinc/93/09/92/458930992.db2.gz HHLWEIMJONQWHK-BVYCBKJFSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000441384749 458934313 /nfs/dbraw/zinc/93/43/13/458934313.db2.gz VCQSZLQYWLWKJN-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000441384749 458934320 /nfs/dbraw/zinc/93/43/20/458934320.db2.gz VCQSZLQYWLWKJN-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000441384749 458934327 /nfs/dbraw/zinc/93/43/27/458934327.db2.gz VCQSZLQYWLWKJN-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000441384749 458934330 /nfs/dbraw/zinc/93/43/30/458934330.db2.gz VCQSZLQYWLWKJN-DOTOQJQBSA-N 2 2 335.467 3.267 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000576850464 458934771 /nfs/dbraw/zinc/93/47/71/458934771.db2.gz CWLRGMVYHCEMON-JXXFODFXSA-N 2 2 337.467 3.415 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000475339882 458936642 /nfs/dbraw/zinc/93/66/42/458936642.db2.gz WHYHBVSXGXXVTI-CWJKEVGVSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000475339882 458936645 /nfs/dbraw/zinc/93/66/45/458936645.db2.gz WHYHBVSXGXXVTI-CWJKEVGVSA-N 3 2 329.532 3.217 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H](C)c1ccccc1 ZINC000556242752 458941037 /nfs/dbraw/zinc/94/10/37/458941037.db2.gz VOKJKODMPPPYIL-NJNPRVFISA-N 2 2 338.495 3.187 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H](C)c1ccccc1 ZINC000556242752 458941042 /nfs/dbraw/zinc/94/10/42/458941042.db2.gz VOKJKODMPPPYIL-NJNPRVFISA-N 2 2 338.495 3.187 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000566617401 458970601 /nfs/dbraw/zinc/97/06/01/458970601.db2.gz NYCFTBQGLZXDFM-CYBMUJFWSA-N 2 2 326.375 3.472 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000556585582 458975657 /nfs/dbraw/zinc/97/56/57/458975657.db2.gz MSANKEFPYUWCMI-ROUUACIJSA-N 2 2 334.504 3.484 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1)CCC2 ZINC000531988078 459012846 /nfs/dbraw/zinc/01/28/46/459012846.db2.gz PTEAUNQYCAKCMQ-RDJZCZTQSA-N 2 2 340.471 3.384 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324064 459014531 /nfs/dbraw/zinc/01/45/31/459014531.db2.gz HNBRVHAZRDMTAN-HZPDHXFCSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324064 459014536 /nfs/dbraw/zinc/01/45/36/459014536.db2.gz HNBRVHAZRDMTAN-HZPDHXFCSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324064 459014539 /nfs/dbraw/zinc/01/45/39/459014539.db2.gz HNBRVHAZRDMTAN-HZPDHXFCSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324064 459014543 /nfs/dbraw/zinc/01/45/43/459014543.db2.gz HNBRVHAZRDMTAN-HZPDHXFCSA-N 2 2 330.501 3.361 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753292 459031636 /nfs/dbraw/zinc/03/16/36/459031636.db2.gz GHLJNTKPPWHLAB-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753292 459031639 /nfs/dbraw/zinc/03/16/39/459031639.db2.gz GHLJNTKPPWHLAB-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000442780474 459034175 /nfs/dbraw/zinc/03/41/75/459034175.db2.gz NRCFWMFNNVIRLR-XNMUZJSGSA-N 2 2 343.515 3.105 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000442780474 459034182 /nfs/dbraw/zinc/03/41/82/459034182.db2.gz NRCFWMFNNVIRLR-XNMUZJSGSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000520230537 459042314 /nfs/dbraw/zinc/04/23/14/459042314.db2.gz SREMCSKQWMCAPT-QRQLOZEOSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000520230537 459042318 /nfs/dbraw/zinc/04/23/18/459042318.db2.gz SREMCSKQWMCAPT-QRQLOZEOSA-N 2 2 349.478 3.222 20 0 EGADLP COCc1nc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(-c2ccccc2)s1 ZINC000442878424 459049430 /nfs/dbraw/zinc/04/94/30/459049430.db2.gz YWRLBPXRIAWWEE-HOCLYGCPSA-N 2 2 345.512 3.386 20 0 EGADLP COCc1nc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(-c2ccccc2)s1 ZINC000442878424 459049436 /nfs/dbraw/zinc/04/94/36/459049436.db2.gz YWRLBPXRIAWWEE-HOCLYGCPSA-N 2 2 345.512 3.386 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532239848 459052453 /nfs/dbraw/zinc/05/24/53/459052453.db2.gz SSULACBRTXLROU-IAGOWNOFSA-N 2 2 331.504 3.459 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532239848 459052459 /nfs/dbraw/zinc/05/24/59/459052459.db2.gz SSULACBRTXLROU-IAGOWNOFSA-N 2 2 331.504 3.459 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H]3CCCN(C4CCCCC4)C3=O)c[nH+]c12 ZINC000443017256 459075462 /nfs/dbraw/zinc/07/54/62/459075462.db2.gz YUTRCGFSMBNVRJ-SFHVURJKSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000532440503 459088679 /nfs/dbraw/zinc/08/86/79/459088679.db2.gz DEHNTGRGJFLKGS-INIZCTEOSA-N 2 2 349.438 3.117 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2[nH+]1 ZINC000532440503 459088687 /nfs/dbraw/zinc/08/86/87/459088687.db2.gz DEHNTGRGJFLKGS-INIZCTEOSA-N 2 2 349.438 3.117 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532588763 459115332 /nfs/dbraw/zinc/11/53/32/459115332.db2.gz HYHZCZNMBAKGMR-PDRSHUBSSA-N 2 2 332.532 3.436 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532588763 459115339 /nfs/dbraw/zinc/11/53/39/459115339.db2.gz HYHZCZNMBAKGMR-PDRSHUBSSA-N 2 2 332.532 3.436 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000532589441 459115496 /nfs/dbraw/zinc/11/54/96/459115496.db2.gz KSSZTZOKHMHNOA-OAQYLSRUSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000532589441 459115501 /nfs/dbraw/zinc/11/55/01/459115501.db2.gz KSSZTZOKHMHNOA-OAQYLSRUSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000532589434 459115894 /nfs/dbraw/zinc/11/58/94/459115894.db2.gz KSSZTZOKHMHNOA-NRFANRHFSA-N 2 2 343.515 3.060 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000532589434 459115898 /nfs/dbraw/zinc/11/58/98/459115898.db2.gz KSSZTZOKHMHNOA-NRFANRHFSA-N 2 2 343.515 3.060 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567723921 459153804 /nfs/dbraw/zinc/15/38/04/459153804.db2.gz BSQGLWLNKDCVKH-CWFSZBLJSA-N 2 2 345.918 3.491 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000567723921 459153812 /nfs/dbraw/zinc/15/38/12/459153812.db2.gz BSQGLWLNKDCVKH-CWFSZBLJSA-N 2 2 345.918 3.491 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000479967417 459175338 /nfs/dbraw/zinc/17/53/38/459175338.db2.gz XIBNSOZWWCNHEY-GASCZTMLSA-N 2 2 338.879 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000479967417 459175344 /nfs/dbraw/zinc/17/53/44/459175344.db2.gz XIBNSOZWWCNHEY-GASCZTMLSA-N 2 2 338.879 3.179 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2ccc(C)nc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000578314062 459180040 /nfs/dbraw/zinc/18/00/40/459180040.db2.gz XBBOFXFTVICYEV-PMACEKPBSA-N 2 2 325.456 3.024 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993175 459204491 /nfs/dbraw/zinc/20/44/91/459204491.db2.gz HMUBCDGIRDWEBV-RKVPGOIHSA-N 2 2 346.500 3.095 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993175 459204497 /nfs/dbraw/zinc/20/44/97/459204497.db2.gz HMUBCDGIRDWEBV-RKVPGOIHSA-N 2 2 346.500 3.095 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595065720 459234274 /nfs/dbraw/zinc/23/42/74/459234274.db2.gz USFHWJOLEYSZLR-FFXJQHAZSA-N 2 2 331.485 3.213 20 0 EGADLP Cc1cc(Br)c2c(c1)C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000568166012 459236704 /nfs/dbraw/zinc/23/67/04/459236704.db2.gz BHHLRJCQAYYRPG-UHFFFAOYSA-N 2 2 348.288 3.482 20 0 EGADLP Cc1cc(Br)c2c(c1)C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000568166012 459236706 /nfs/dbraw/zinc/23/67/06/459236706.db2.gz BHHLRJCQAYYRPG-UHFFFAOYSA-N 2 2 348.288 3.482 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269776 459261062 /nfs/dbraw/zinc/26/10/62/459261062.db2.gz XHTKQISHTXRMHT-VQIMIIECSA-N 3 2 326.488 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269776 459261067 /nfs/dbraw/zinc/26/10/67/459261067.db2.gz XHTKQISHTXRMHT-VQIMIIECSA-N 3 2 326.488 3.119 20 0 EGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000534064371 459288042 /nfs/dbraw/zinc/28/80/42/459288042.db2.gz DQOWMIMZZPZJSA-VNTMZGSJSA-N 2 2 328.500 3.097 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082265 459310881 /nfs/dbraw/zinc/31/08/81/459310881.db2.gz MQVYHRZEPUUFFE-SJORKVTESA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082265 459310882 /nfs/dbraw/zinc/31/08/82/459310882.db2.gz MQVYHRZEPUUFFE-SJORKVTESA-N 2 2 326.444 3.164 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000568628231 459319404 /nfs/dbraw/zinc/31/94/04/459319404.db2.gz PDLRMUCJERAEQJ-VQIMIIECSA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000568628231 459319411 /nfs/dbraw/zinc/31/94/11/459319411.db2.gz PDLRMUCJERAEQJ-VQIMIIECSA-N 2 2 334.529 3.222 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764257 459340991 /nfs/dbraw/zinc/34/09/91/459340991.db2.gz OPTHYRSRBNPLFH-SUMWQHHRSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000568764257 459340996 /nfs/dbraw/zinc/34/09/96/459340996.db2.gz OPTHYRSRBNPLFH-SUMWQHHRSA-N 2 2 333.501 3.082 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582470645 459369747 /nfs/dbraw/zinc/36/97/47/459369747.db2.gz FKUACWVUGAPORV-CQSZACIVSA-N 2 2 342.405 3.391 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582470645 459369753 /nfs/dbraw/zinc/36/97/53/459369753.db2.gz FKUACWVUGAPORV-CQSZACIVSA-N 2 2 342.405 3.391 20 0 EGADLP CCOC(=O)N1CCC([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000496926040 459372970 /nfs/dbraw/zinc/37/29/70/459372970.db2.gz PBHXISDXNGBUPT-INIZCTEOSA-N 2 2 333.476 3.169 20 0 EGADLP O=C(NCCC[NH2+]C1CC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000569106856 459397327 /nfs/dbraw/zinc/39/73/27/459397327.db2.gz RADDGRVIVPDYKU-UHFFFAOYSA-N 2 2 345.830 3.399 20 0 EGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000484124315 459407469 /nfs/dbraw/zinc/40/74/69/459407469.db2.gz BPBKRCWRWKQXSI-QZTJIDSGSA-N 2 2 334.504 3.340 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)ccc2n1C ZINC000525217438 459428567 /nfs/dbraw/zinc/42/85/67/459428567.db2.gz BYAGDPCMADQVKL-FQEVSTJZSA-N 2 2 348.450 3.485 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)ccc2n1C ZINC000525217438 459428572 /nfs/dbraw/zinc/42/85/72/459428572.db2.gz BYAGDPCMADQVKL-FQEVSTJZSA-N 2 2 348.450 3.485 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000591867735 459459054 /nfs/dbraw/zinc/45/90/54/459459054.db2.gz RYJZATMVJVUZKM-KRWDZBQOSA-N 2 2 326.444 3.156 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)n1C1CC1 ZINC000591867735 459459056 /nfs/dbraw/zinc/45/90/56/459459056.db2.gz RYJZATMVJVUZKM-KRWDZBQOSA-N 2 2 326.444 3.156 20 0 EGADLP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000595892132 459478398 /nfs/dbraw/zinc/47/83/98/459478398.db2.gz KYCJJDILNDSHLD-LSDHHAIUSA-N 2 2 330.394 3.371 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743890 459487214 /nfs/dbraw/zinc/48/72/14/459487214.db2.gz ANIRAGJWUADWBI-MOPGFXCFSA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccn(C)n1 ZINC000541743890 459487218 /nfs/dbraw/zinc/48/72/18/459487218.db2.gz ANIRAGJWUADWBI-MOPGFXCFSA-N 2 2 326.488 3.025 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)C[NH+]1CCCC1 ZINC000562282309 459529965 /nfs/dbraw/zinc/52/99/65/459529965.db2.gz SKVQUORZFRIQFJ-GOSISDBHSA-N 2 2 344.430 3.164 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583502689 459551513 /nfs/dbraw/zinc/55/15/13/459551513.db2.gz AXFZORXCXFBCLA-PKOBYXMFSA-N 2 2 342.487 3.107 20 0 EGADLP C[C@@H]1CCCC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542690445 459582512 /nfs/dbraw/zinc/58/25/12/459582512.db2.gz BVNJVPRBSLZMAW-WBVHZDCISA-N 2 2 342.487 3.428 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000562579990 459592260 /nfs/dbraw/zinc/59/22/60/459592260.db2.gz JWLDXQDWIQLVMC-YJBOKZPZSA-N 2 2 330.472 3.343 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000562579990 459592267 /nfs/dbraw/zinc/59/22/67/459592267.db2.gz JWLDXQDWIQLVMC-YJBOKZPZSA-N 2 2 330.472 3.343 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000572916239 459594438 /nfs/dbraw/zinc/59/44/38/459594438.db2.gz YUHGYEVOTKOTGA-GFCCVEGCSA-N 2 2 331.273 3.449 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000572916239 459594442 /nfs/dbraw/zinc/59/44/42/459594442.db2.gz YUHGYEVOTKOTGA-GFCCVEGCSA-N 2 2 331.273 3.449 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824337 459606382 /nfs/dbraw/zinc/60/63/82/459606382.db2.gz DLHKYNSGRVVMOE-RTBURBONSA-N 2 2 337.552 3.125 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824337 459606386 /nfs/dbraw/zinc/60/63/86/459606386.db2.gz DLHKYNSGRVVMOE-RTBURBONSA-N 2 2 337.552 3.125 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000562837648 459657986 /nfs/dbraw/zinc/65/79/86/459657986.db2.gz ULNQRYADGPVNAL-APWZRJJASA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000562837648 459657992 /nfs/dbraw/zinc/65/79/92/459657992.db2.gz ULNQRYADGPVNAL-APWZRJJASA-N 2 2 341.455 3.314 20 0 EGADLP Cc1cccn2cc(CC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)[nH+]c12 ZINC000562940379 459675002 /nfs/dbraw/zinc/67/50/02/459675002.db2.gz VQVICXMDBVUPMU-LJQANCHMSA-N 2 2 348.450 3.373 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000527760447 459727541 /nfs/dbraw/zinc/72/75/41/459727541.db2.gz CHFAXBXWDWAAJG-JXFKEZNVSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@H+]1Cc1ccccc1 ZINC000527760447 459727547 /nfs/dbraw/zinc/72/75/47/459727547.db2.gz CHFAXBXWDWAAJG-JXFKEZNVSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000527801182 459742119 /nfs/dbraw/zinc/74/21/19/459742119.db2.gz QYAWROMQUFAKNB-PBEJRMEISA-N 2 2 349.478 3.193 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC000527801182 459742126 /nfs/dbraw/zinc/74/21/26/459742126.db2.gz QYAWROMQUFAKNB-PBEJRMEISA-N 2 2 349.478 3.193 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000573931349 459759526 /nfs/dbraw/zinc/75/95/26/459759526.db2.gz SBIDXLAXDHPFOW-DZGCQCFKSA-N 2 2 341.455 3.032 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000573931349 459759530 /nfs/dbraw/zinc/75/95/30/459759530.db2.gz SBIDXLAXDHPFOW-DZGCQCFKSA-N 2 2 341.455 3.032 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160761 459804993 /nfs/dbraw/zinc/80/49/93/459804993.db2.gz BAJAGXKTGYGNLD-XPTSAGLGSA-N 2 2 337.678 3.364 20 0 EGADLP Cn1cc2ccc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2n1 ZINC000527961211 459782907 /nfs/dbraw/zinc/78/29/07/459782907.db2.gz HKHOGYMTKRJVIP-HXUWFJFHSA-N 2 2 334.467 3.328 20 0 EGADLP Cn1cc2ccc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2n1 ZINC000527961211 459782910 /nfs/dbraw/zinc/78/29/10/459782910.db2.gz HKHOGYMTKRJVIP-HXUWFJFHSA-N 2 2 334.467 3.328 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000574141851 459784389 /nfs/dbraw/zinc/78/43/89/459784389.db2.gz UALNWKMZJHPUGG-MRXNPFEDSA-N 2 2 326.550 3.237 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000574141851 459784393 /nfs/dbraw/zinc/78/43/93/459784393.db2.gz UALNWKMZJHPUGG-MRXNPFEDSA-N 2 2 326.550 3.237 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000574261928 459798137 /nfs/dbraw/zinc/79/81/37/459798137.db2.gz VVZRECBPPPNIHU-AWEZNQCLSA-N 2 2 340.870 3.207 20 0 EGADLP CC[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000566335505 459843267 /nfs/dbraw/zinc/84/32/67/459843267.db2.gz YWMXGZUGBRZRPO-LJQANCHMSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000566335505 459843273 /nfs/dbraw/zinc/84/32/73/459843273.db2.gz YWMXGZUGBRZRPO-LJQANCHMSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000566335505 459843277 /nfs/dbraw/zinc/84/32/77/459843277.db2.gz YWMXGZUGBRZRPO-LJQANCHMSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000566335505 459843282 /nfs/dbraw/zinc/84/32/82/459843282.db2.gz YWMXGZUGBRZRPO-LJQANCHMSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000575139532 459934827 /nfs/dbraw/zinc/93/48/27/459934827.db2.gz KQSUPTXPVGOAPL-BZUAXINKSA-N 2 2 347.507 3.089 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000575139532 459934834 /nfs/dbraw/zinc/93/48/34/459934834.db2.gz KQSUPTXPVGOAPL-BZUAXINKSA-N 2 2 347.507 3.089 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000588689443 459970489 /nfs/dbraw/zinc/97/04/89/459970489.db2.gz ZLAVFCJBJZPQAT-PKOBYXMFSA-N 2 2 342.508 3.306 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000588689443 459970495 /nfs/dbraw/zinc/97/04/95/459970495.db2.gz ZLAVFCJBJZPQAT-PKOBYXMFSA-N 2 2 342.508 3.306 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689734 459971264 /nfs/dbraw/zinc/97/12/64/459971264.db2.gz QVVDOUGXXDOTKL-RDJZCZTQSA-N 2 2 332.875 3.484 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689734 459971272 /nfs/dbraw/zinc/97/12/72/459971272.db2.gz QVVDOUGXXDOTKL-RDJZCZTQSA-N 2 2 332.875 3.484 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000625221911 460078190 /nfs/dbraw/zinc/07/81/90/460078190.db2.gz MGCVNAZGGAIMII-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000625221911 460078196 /nfs/dbraw/zinc/07/81/96/460078196.db2.gz MGCVNAZGGAIMII-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221911 460078202 /nfs/dbraw/zinc/07/82/02/460078202.db2.gz MGCVNAZGGAIMII-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000625221911 460078208 /nfs/dbraw/zinc/07/82/08/460078208.db2.gz MGCVNAZGGAIMII-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCc2ccc(C)cc2C)CC1 ZINC000589731259 460134001 /nfs/dbraw/zinc/13/40/01/460134001.db2.gz JENWRPZSJXYZPR-UHFFFAOYSA-N 2 2 346.515 3.243 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000599041882 460137142 /nfs/dbraw/zinc/13/71/42/460137142.db2.gz CYPZKGGGPIJGEV-KTLDDFEXSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000599041882 460137150 /nfs/dbraw/zinc/13/71/50/460137150.db2.gz CYPZKGGGPIJGEV-KTLDDFEXSA-N 2 2 344.499 3.218 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505077 460154890 /nfs/dbraw/zinc/15/48/90/460154890.db2.gz GEYYPVRUALUIKV-SFTDATJTSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505077 460154897 /nfs/dbraw/zinc/15/48/97/460154897.db2.gz GEYYPVRUALUIKV-SFTDATJTSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505077 460154902 /nfs/dbraw/zinc/15/49/02/460154902.db2.gz GEYYPVRUALUIKV-SFTDATJTSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576505077 460154905 /nfs/dbraw/zinc/15/49/05/460154905.db2.gz GEYYPVRUALUIKV-SFTDATJTSA-N 3 2 329.532 3.172 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[NH2+]1 ZINC000625860736 460286221 /nfs/dbraw/zinc/28/62/21/460286221.db2.gz NJXGWIXOLPYARY-ZFWWWQNUSA-N 2 2 326.400 3.136 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000623051777 460398750 /nfs/dbraw/zinc/39/87/50/460398750.db2.gz RTDPWYNSZNZRAG-JQWIXIFHSA-N 2 2 338.249 3.163 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000623051777 460398757 /nfs/dbraw/zinc/39/87/57/460398757.db2.gz RTDPWYNSZNZRAG-JQWIXIFHSA-N 2 2 338.249 3.163 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000623088998 460408892 /nfs/dbraw/zinc/40/88/92/460408892.db2.gz PLRSCILRRQNUCC-UHFFFAOYSA-N 2 2 329.460 3.477 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703471 460485805 /nfs/dbraw/zinc/48/58/05/460485805.db2.gz WSBYMVFMIAIJNL-HKUYNNGSSA-N 2 2 345.512 3.129 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703471 460485807 /nfs/dbraw/zinc/48/58/07/460485807.db2.gz WSBYMVFMIAIJNL-HKUYNNGSSA-N 2 2 345.512 3.129 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@@H]1C(F)(F)F ZINC000629563444 460810872 /nfs/dbraw/zinc/81/08/72/460810872.db2.gz QHMDLWQSLPSPOS-HIFRSBDPSA-N 2 2 339.361 3.301 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)CC[C@@H]1C(F)(F)F ZINC000629563444 460810877 /nfs/dbraw/zinc/81/08/77/460810877.db2.gz QHMDLWQSLPSPOS-HIFRSBDPSA-N 2 2 339.361 3.301 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC ZINC000629654932 460848790 /nfs/dbraw/zinc/84/87/90/460848790.db2.gz JVPOXZGDQSHRAM-KBPBESRZSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC ZINC000629654932 460848795 /nfs/dbraw/zinc/84/87/95/460848795.db2.gz JVPOXZGDQSHRAM-KBPBESRZSA-N 2 2 346.393 3.053 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656443 460850712 /nfs/dbraw/zinc/85/07/12/460850712.db2.gz ORBAEAFENUZWCJ-ZFWWWQNUSA-N 2 2 346.441 3.214 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656443 460850717 /nfs/dbraw/zinc/85/07/17/460850717.db2.gz ORBAEAFENUZWCJ-ZFWWWQNUSA-N 2 2 346.441 3.214 20 0 EGADLP O=C1NCC[NH2+][C@H]1c1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000629696745 460870354 /nfs/dbraw/zinc/87/03/54/460870354.db2.gz HDOBQAWDQWIXIB-NRFANRHFSA-N 2 2 349.478 3.100 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120483 460871105 /nfs/dbraw/zinc/87/11/05/460871105.db2.gz ABSNQKLCDUSWAG-AEFFLSMTSA-N 2 2 341.503 3.267 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(C)cc1 ZINC000624120483 460871111 /nfs/dbraw/zinc/87/11/11/460871111.db2.gz ABSNQKLCDUSWAG-AEFFLSMTSA-N 2 2 341.503 3.267 20 0 EGADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccc2ccccc21 ZINC000624125802 460874679 /nfs/dbraw/zinc/87/46/79/460874679.db2.gz NUYOQNPDRHGQEB-QFIPXVFZSA-N 2 2 347.462 3.308 20 0 EGADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccc2ccccc21 ZINC000624125802 460874685 /nfs/dbraw/zinc/87/46/85/460874685.db2.gz NUYOQNPDRHGQEB-QFIPXVFZSA-N 2 2 347.462 3.308 20 0 EGADLP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(N4CCCC4)[nH+]c3)cc2)CC1 ZINC000629708879 460880831 /nfs/dbraw/zinc/88/08/31/460880831.db2.gz CYVKSULAKBDIFX-UHFFFAOYSA-N 3 2 336.483 3.272 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000632923298 460887789 /nfs/dbraw/zinc/88/77/89/460887789.db2.gz NKGGRQYRTGHSEJ-ZBFHGGJFSA-N 2 2 341.459 3.304 20 0 EGADLP COCCCCNc1ccc(-c2ccc(F)c(C[NH+](C)C)c2)c[nH+]1 ZINC000629739111 460898698 /nfs/dbraw/zinc/89/86/98/460898698.db2.gz WPGLTWMBVPRBGP-UHFFFAOYSA-N 2 2 331.435 3.210 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c2ccccc21 ZINC000624188018 460902002 /nfs/dbraw/zinc/90/20/02/460902002.db2.gz UGJJFBIXNBSPFT-HKUYNNGSSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c2ccccc21 ZINC000624188018 460902008 /nfs/dbraw/zinc/90/20/08/460902008.db2.gz UGJJFBIXNBSPFT-HKUYNNGSSA-N 2 2 327.472 3.091 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788614 460924956 /nfs/dbraw/zinc/92/49/56/460924956.db2.gz UOUIWQCCNFKQBI-NVXWUHKLSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2[nH+]1 ZINC000635788614 460924961 /nfs/dbraw/zinc/92/49/61/460924961.db2.gz UOUIWQCCNFKQBI-NVXWUHKLSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000608061493 460973855 /nfs/dbraw/zinc/97/38/55/460973855.db2.gz FTMXHJNWLPYDEL-RHSMWYFYSA-N 2 2 332.879 3.157 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061493 460973862 /nfs/dbraw/zinc/97/38/62/460973862.db2.gz FTMXHJNWLPYDEL-RHSMWYFYSA-N 2 2 332.879 3.157 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000608061498 460975010 /nfs/dbraw/zinc/97/50/10/460975010.db2.gz FTMXHJNWLPYDEL-YOEHRIQHSA-N 2 2 332.879 3.157 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061498 460975013 /nfs/dbraw/zinc/97/50/13/460975013.db2.gz FTMXHJNWLPYDEL-YOEHRIQHSA-N 2 2 332.879 3.157 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000608072393 460978430 /nfs/dbraw/zinc/97/84/30/460978430.db2.gz HSVKZUANUIVOOX-AWEZNQCLSA-N 2 2 346.475 3.158 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000630072729 461014659 /nfs/dbraw/zinc/01/46/59/461014659.db2.gz XHIWXNCUTJQAED-UHFFFAOYSA-N 3 2 327.516 3.173 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CC4)o3)c2)CCO1 ZINC000628209661 461049795 /nfs/dbraw/zinc/04/97/95/461049795.db2.gz NXLJRNSKUMRRLV-OAHLLOKOSA-N 2 2 341.455 3.063 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C4CC4)o3)c2)CCO1 ZINC000628209661 461049799 /nfs/dbraw/zinc/04/97/99/461049799.db2.gz NXLJRNSKUMRRLV-OAHLLOKOSA-N 2 2 341.455 3.063 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000628233865 461056560 /nfs/dbraw/zinc/05/65/60/461056560.db2.gz YZMUAWNEBWIXNT-UHFFFAOYSA-N 2 2 331.423 3.239 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2[nH+]1 ZINC000668151294 461137312 /nfs/dbraw/zinc/13/73/12/461137312.db2.gz ZTJDDXKCQKKEJR-CQSZACIVSA-N 2 2 343.456 3.129 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CC[NH3+] ZINC000652353430 461146172 /nfs/dbraw/zinc/14/61/72/461146172.db2.gz IXHDMOJGHYFIOI-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CC[NH3+] ZINC000652353430 461146182 /nfs/dbraw/zinc/14/61/82/461146182.db2.gz IXHDMOJGHYFIOI-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)ccc1F ZINC000652356001 461148807 /nfs/dbraw/zinc/14/88/07/461148807.db2.gz PSQSBRQTAUDZAR-BLLLJJGKSA-N 2 2 332.423 3.133 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)ccc1F ZINC000652356001 461148813 /nfs/dbraw/zinc/14/88/13/461148813.db2.gz PSQSBRQTAUDZAR-BLLLJJGKSA-N 2 2 332.423 3.133 20 0 EGADLP Brc1scnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273504 461160293 /nfs/dbraw/zinc/16/02/93/461160293.db2.gz NTQOMKCEHZBKGR-VXGBXAGGSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1scnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662273504 461160298 /nfs/dbraw/zinc/16/02/98/461160298.db2.gz NTQOMKCEHZBKGR-VXGBXAGGSA-N 2 2 344.322 3.117 20 0 EGADLP CC[C@@H](C)[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983384 461172036 /nfs/dbraw/zinc/17/20/36/461172036.db2.gz NXXHBCCYTYDFAL-YLJYHZDGSA-N 2 2 333.520 3.081 20 0 EGADLP CC[C@@H](C)[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983384 461172043 /nfs/dbraw/zinc/17/20/43/461172043.db2.gz NXXHBCCYTYDFAL-YLJYHZDGSA-N 2 2 333.520 3.081 20 0 EGADLP OCc1cc[nH+]c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000641267096 461196842 /nfs/dbraw/zinc/19/68/42/461196842.db2.gz PHZHZSPKIOEQNX-UHFFFAOYSA-N 2 2 331.847 3.304 20 0 EGADLP CC(C)CC[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000638050782 461214318 /nfs/dbraw/zinc/21/43/18/461214318.db2.gz RQIKYUOXKNZSTL-UKRRQHHQSA-N 2 2 338.521 3.077 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC000638082192 461230470 /nfs/dbraw/zinc/23/04/70/461230470.db2.gz GAWKIQPLCPBWKN-UHFFFAOYSA-N 2 2 330.447 3.258 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC000638082192 461230474 /nfs/dbraw/zinc/23/04/74/461230474.db2.gz GAWKIQPLCPBWKN-UHFFFAOYSA-N 2 2 330.447 3.258 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000641443813 461249749 /nfs/dbraw/zinc/24/97/49/461249749.db2.gz MBLDLZUWNBOXMJ-WOJBJXKFSA-N 2 2 337.467 3.065 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000641443813 461249754 /nfs/dbraw/zinc/24/97/54/461249754.db2.gz MBLDLZUWNBOXMJ-WOJBJXKFSA-N 2 2 337.467 3.065 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000630738552 461277934 /nfs/dbraw/zinc/27/79/34/461277934.db2.gz PQFCFQOOZXGWII-GJZGRUSLSA-N 2 2 326.444 3.069 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000630738552 461277943 /nfs/dbraw/zinc/27/79/43/461277943.db2.gz PQFCFQOOZXGWII-GJZGRUSLSA-N 2 2 326.444 3.069 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173384 461285011 /nfs/dbraw/zinc/28/50/11/461285011.db2.gz WRPYGITZRDPIOL-CZUORRHYSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000638173384 461285014 /nfs/dbraw/zinc/28/50/14/461285014.db2.gz WRPYGITZRDPIOL-CZUORRHYSA-N 2 2 333.407 3.123 20 0 EGADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718767 461300608 /nfs/dbraw/zinc/30/06/08/461300608.db2.gz GEQAIYOXELYUBM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718767 461300612 /nfs/dbraw/zinc/30/06/12/461300612.db2.gz GEQAIYOXELYUBM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718767 461300620 /nfs/dbraw/zinc/30/06/20/461300620.db2.gz GEQAIYOXELYUBM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](CC)CO1 ZINC000649718767 461300625 /nfs/dbraw/zinc/30/06/25/461300625.db2.gz GEQAIYOXELYUBM-HBMCJLEFSA-N 2 2 346.515 3.167 20 0 EGADLP COc1ccc([C@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)cc1 ZINC000638280784 461346769 /nfs/dbraw/zinc/34/67/69/461346769.db2.gz FQXJNHZZFBMULX-FQEVSTJZSA-N 2 2 332.488 3.238 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)c1ccccc1 ZINC000638288152 461348510 /nfs/dbraw/zinc/34/85/10/461348510.db2.gz ZZJZTSAJWGHUCW-YTQUADARSA-N 2 2 331.504 3.106 20 0 EGADLP CC(C)Oc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655693000 461365575 /nfs/dbraw/zinc/36/55/75/461365575.db2.gz YOHJRRVDMVJMIA-WMZOPIPTSA-N 2 2 332.488 3.378 20 0 EGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655697956 461369682 /nfs/dbraw/zinc/36/96/82/461369682.db2.gz UXBAWUCDYYRFPK-FUHWJXTLSA-N 2 2 332.488 3.444 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1F ZINC000655699545 461370493 /nfs/dbraw/zinc/37/04/93/461370493.db2.gz CGJNHGANXUDSPR-MRXNPFEDSA-N 2 2 325.391 3.141 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(N2CCCC2)c1 ZINC000655724472 461393766 /nfs/dbraw/zinc/39/37/66/461393766.db2.gz YLYJANXRPZEKLO-UTKZUKDTSA-N 2 2 343.515 3.191 20 0 EGADLP CCc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655725687 461395310 /nfs/dbraw/zinc/39/53/10/461395310.db2.gz XGKLOISNBUDGOT-ICSRJNTNSA-N 2 2 344.499 3.306 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)sn1 ZINC000638379671 461398232 /nfs/dbraw/zinc/39/82/32/461398232.db2.gz KIONPGXMIUCDNT-UHFFFAOYSA-N 2 2 331.485 3.214 20 0 EGADLP CO[C@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@@H]1CCOC1 ZINC000638404553 461411142 /nfs/dbraw/zinc/41/11/42/461411142.db2.gz GKIBYDHFNJGLBM-NJDAHSKKSA-N 2 2 346.515 3.101 20 0 EGADLP Fc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)cc1Cl ZINC000655761578 461427397 /nfs/dbraw/zinc/42/73/97/461427397.db2.gz MGUSNRSQICMPGV-AWEZNQCLSA-N 2 2 344.833 3.351 20 0 EGADLP c1ccc2c(c1)C[C@H]1CC[C@@H](C2)C1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655768765 461432627 /nfs/dbraw/zinc/43/26/27/461432627.db2.gz OKRLFVWADRFTHX-ZQCLUDFMSA-N 2 2 340.511 3.023 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860022 461462977 /nfs/dbraw/zinc/46/29/77/461462977.db2.gz RNWUTMPMQZNDCG-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860022 461462982 /nfs/dbraw/zinc/46/29/82/461462982.db2.gz RNWUTMPMQZNDCG-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860022 461462985 /nfs/dbraw/zinc/46/29/85/461462985.db2.gz RNWUTMPMQZNDCG-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860022 461462987 /nfs/dbraw/zinc/46/29/87/461462987.db2.gz RNWUTMPMQZNDCG-XJKSGUPXSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860021 461464168 /nfs/dbraw/zinc/46/41/68/461464168.db2.gz RNWUTMPMQZNDCG-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860021 461464180 /nfs/dbraw/zinc/46/41/80/461464180.db2.gz RNWUTMPMQZNDCG-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860021 461464185 /nfs/dbraw/zinc/46/41/85/461464185.db2.gz RNWUTMPMQZNDCG-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000659860021 461464194 /nfs/dbraw/zinc/46/41/94/461464194.db2.gz RNWUTMPMQZNDCG-CZUORRHYSA-N 2 2 332.410 3.399 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](CCC4CCC4)C3)CC2)nc1 ZINC000659867121 461467694 /nfs/dbraw/zinc/46/76/94/461467694.db2.gz VHBRRQASKZRIAP-FQEVSTJZSA-N 2 2 342.531 3.106 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](CCC4CCC4)C3)CC2)nc1 ZINC000659867121 461467701 /nfs/dbraw/zinc/46/77/01/461467701.db2.gz VHBRRQASKZRIAP-FQEVSTJZSA-N 2 2 342.531 3.106 20 0 EGADLP COCCc1ncc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)s1 ZINC000631034780 461486535 /nfs/dbraw/zinc/48/65/35/461486535.db2.gz SXACOEOOWILKBS-UHFFFAOYSA-N 2 2 344.484 3.170 20 0 EGADLP C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078003 461490927 /nfs/dbraw/zinc/49/09/27/461490927.db2.gz RJVJONJOUKGNSQ-FOIQADDNSA-N 2 2 339.483 3.171 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849027 461495364 /nfs/dbraw/zinc/49/53/64/461495364.db2.gz OQZBUSVAKSYBAT-YYWHXJBOSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849027 461495372 /nfs/dbraw/zinc/49/53/72/461495372.db2.gz OQZBUSVAKSYBAT-YYWHXJBOSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848529 461496001 /nfs/dbraw/zinc/49/60/01/461496001.db2.gz HHKDBDUBSVTJRP-SNRMKQJTSA-N 2 2 329.488 3.056 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C(=O)N(C)C)cc1 ZINC000655848529 461496008 /nfs/dbraw/zinc/49/60/08/461496008.db2.gz HHKDBDUBSVTJRP-SNRMKQJTSA-N 2 2 329.488 3.056 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(OC)c1OC ZINC000655849897 461497771 /nfs/dbraw/zinc/49/77/71/461497771.db2.gz QOYSUZKQIRKKNZ-USXIJHARSA-N 2 2 348.487 3.380 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(OC)c1OC ZINC000655849897 461497779 /nfs/dbraw/zinc/49/77/79/461497779.db2.gz QOYSUZKQIRKKNZ-USXIJHARSA-N 2 2 348.487 3.380 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000655851173 461499944 /nfs/dbraw/zinc/49/99/44/461499944.db2.gz BRLPDYGIKMJEMU-HNNXBMFYSA-N 2 2 334.426 3.485 20 0 EGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccncc1Br)C(C)(C)C ZINC000631074523 461525247 /nfs/dbraw/zinc/52/52/47/461525247.db2.gz BWWYZZOQBMMINT-CQSZACIVSA-N 2 2 328.298 3.300 20 0 EGADLP C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096842 461500683 /nfs/dbraw/zinc/50/06/83/461500683.db2.gz XLOYLLCCNOQTSQ-OXQOHEQNSA-N 2 2 339.483 3.152 20 0 EGADLP CC[C@@](C)(C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)OC ZINC000638639596 461514668 /nfs/dbraw/zinc/51/46/68/461514668.db2.gz LQENFRQDDHEZQU-HKUYNNGSSA-N 2 2 334.504 3.291 20 0 EGADLP Cc1nc(N2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Br)c(C)[nH+]1 ZINC000663242362 461524622 /nfs/dbraw/zinc/52/46/22/461524622.db2.gz VBMAPCHHCOHNIZ-ZWNOBZJWSA-N 2 2 341.297 3.200 20 0 EGADLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992473 461535235 /nfs/dbraw/zinc/53/52/35/461535235.db2.gz ITZBAVWYUICKJR-RDJZCZTQSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992473 461535243 /nfs/dbraw/zinc/53/52/43/461535243.db2.gz ITZBAVWYUICKJR-RDJZCZTQSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992473 461535249 /nfs/dbraw/zinc/53/52/49/461535249.db2.gz ITZBAVWYUICKJR-RDJZCZTQSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992473 461535257 /nfs/dbraw/zinc/53/52/57/461535257.db2.gz ITZBAVWYUICKJR-RDJZCZTQSA-N 2 2 329.444 3.168 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343733 461570923 /nfs/dbraw/zinc/57/09/23/461570923.db2.gz CTTVALLGWROLNT-INIZCTEOSA-N 3 2 347.469 3.115 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343733 461570933 /nfs/dbraw/zinc/57/09/33/461570933.db2.gz CTTVALLGWROLNT-INIZCTEOSA-N 3 2 347.469 3.115 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)cn21 ZINC000647262716 461597056 /nfs/dbraw/zinc/59/70/56/461597056.db2.gz LWPWTTMHKXQWCJ-NQIIRXRSSA-N 2 2 348.494 3.438 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cn21 ZINC000647262716 461597067 /nfs/dbraw/zinc/59/70/67/461597067.db2.gz LWPWTTMHKXQWCJ-NQIIRXRSSA-N 2 2 348.494 3.438 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)CCC2)c1 ZINC000643065580 461601378 /nfs/dbraw/zinc/60/13/78/461601378.db2.gz CTZAXAJGORJDJX-UYAOXDASSA-N 2 2 344.499 3.066 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4CC[NH2+][C@@H]4C3)CCC2)c1 ZINC000643065580 461601385 /nfs/dbraw/zinc/60/13/85/461601385.db2.gz CTZAXAJGORJDJX-UYAOXDASSA-N 2 2 344.499 3.066 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069273 461602548 /nfs/dbraw/zinc/60/25/48/461602548.db2.gz QMNFRGVBMBKMTC-SMDDNHRTSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000643069273 461602554 /nfs/dbraw/zinc/60/25/54/461602554.db2.gz QMNFRGVBMBKMTC-SMDDNHRTSA-N 2 2 342.270 3.006 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000647305312 461625740 /nfs/dbraw/zinc/62/57/40/461625740.db2.gz FIJGUENHQAHRAQ-UYAOXDASSA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000647305312 461625748 /nfs/dbraw/zinc/62/57/48/461625748.db2.gz FIJGUENHQAHRAQ-UYAOXDASSA-N 2 2 334.504 3.219 20 0 EGADLP COc1cc(C[C@H](C)[NH2+]CCCc2[nH+]c3ccccc3n2C)ccn1 ZINC000638872271 461631668 /nfs/dbraw/zinc/63/16/68/461631668.db2.gz RRNZBUMQTVBDJO-HNNXBMFYSA-N 2 2 338.455 3.130 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204209 461636839 /nfs/dbraw/zinc/63/68/39/461636839.db2.gz ZPIGFTDFDFPYBK-UZLBHIALSA-N 2 2 327.472 3.100 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204209 461636849 /nfs/dbraw/zinc/63/68/49/461636849.db2.gz ZPIGFTDFDFPYBK-UZLBHIALSA-N 2 2 327.472 3.100 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2ncc(C)cc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000656201776 461646433 /nfs/dbraw/zinc/64/64/33/461646433.db2.gz YWJOUSPDDMVBCU-NHCUHLMSSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656253826 461675915 /nfs/dbraw/zinc/67/59/15/461675915.db2.gz XSOHKEVFGAIRCI-LJQANCHMSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656253826 461675922 /nfs/dbraw/zinc/67/59/22/461675922.db2.gz XSOHKEVFGAIRCI-LJQANCHMSA-N 2 2 338.499 3.407 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256041 461678031 /nfs/dbraw/zinc/67/80/31/461678031.db2.gz QNPWPGVQOWEOKF-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256041 461678039 /nfs/dbraw/zinc/67/80/39/461678039.db2.gz QNPWPGVQOWEOKF-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256041 461678047 /nfs/dbraw/zinc/67/80/47/461678047.db2.gz QNPWPGVQOWEOKF-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256041 461678050 /nfs/dbraw/zinc/67/80/50/461678050.db2.gz QNPWPGVQOWEOKF-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000663509613 461679233 /nfs/dbraw/zinc/67/92/33/461679233.db2.gz KVCORVBLYFWOCH-HNNXBMFYSA-N 2 2 340.496 3.357 20 0 EGADLP C[NH+](C)CCN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C1CCCC1 ZINC000631269871 461683904 /nfs/dbraw/zinc/68/39/04/461683904.db2.gz XCSOXWDFEWJWFC-UHFFFAOYSA-N 2 2 326.444 3.023 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072645 461708361 /nfs/dbraw/zinc/70/83/61/461708361.db2.gz YFNQWQPKKVPABA-NSHGMRRFSA-N 3 2 336.483 3.156 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072645 461708365 /nfs/dbraw/zinc/70/83/65/461708365.db2.gz YFNQWQPKKVPABA-NSHGMRRFSA-N 3 2 336.483 3.156 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CCO1 ZINC000639078645 461711853 /nfs/dbraw/zinc/71/18/53/461711853.db2.gz GJZNWMPWLJGBHM-UBDQQSCGSA-N 2 2 347.503 3.356 20 0 EGADLP Cc1cn2ccc(C(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)cc2[nH+]1 ZINC000637830909 461732189 /nfs/dbraw/zinc/73/21/89/461732189.db2.gz JCVIKJZQMGGODY-GOSISDBHSA-N 2 2 336.439 3.196 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[NH2+]1 ZINC000643462210 461734960 /nfs/dbraw/zinc/73/49/60/461734960.db2.gz GRHRATQVMNAVGD-PMACEKPBSA-N 2 2 325.456 3.281 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC2(CO)CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643466198 461736109 /nfs/dbraw/zinc/73/61/09/461736109.db2.gz CVYPLBKFQUNJBY-RBUKOAKNSA-N 2 2 332.488 3.021 20 0 EGADLP CC(C)Oc1ncccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000643471921 461738827 /nfs/dbraw/zinc/73/88/27/461738827.db2.gz RWXXZLGTYDYERL-OALUTQOASA-N 2 2 325.456 3.452 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CC[C@@H]1[NH3+] ZINC000647499100 461739032 /nfs/dbraw/zinc/73/90/32/461739032.db2.gz ZKFLKVBAHKANPJ-SKDRFNHKSA-N 2 2 333.295 3.078 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CC[C@@H]1[NH3+] ZINC000647499100 461739040 /nfs/dbraw/zinc/73/90/40/461739040.db2.gz ZKFLKVBAHKANPJ-SKDRFNHKSA-N 2 2 333.295 3.078 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000666664795 461746967 /nfs/dbraw/zinc/74/69/67/461746967.db2.gz MSFJBSUMXJLFRN-NVXWUHKLSA-N 2 2 345.491 3.053 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000666664795 461746975 /nfs/dbraw/zinc/74/69/75/461746975.db2.gz MSFJBSUMXJLFRN-NVXWUHKLSA-N 2 2 345.491 3.053 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647533778 461750794 /nfs/dbraw/zinc/75/07/94/461750794.db2.gz XVKNAGMHFCATIY-YLJYHZDGSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000647533778 461750803 /nfs/dbraw/zinc/75/08/03/461750803.db2.gz XVKNAGMHFCATIY-YLJYHZDGSA-N 2 2 332.451 3.209 20 0 EGADLP CO[C@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000639136758 461753740 /nfs/dbraw/zinc/75/37/40/461753740.db2.gz QCKLAQWVWPKDTJ-LJQANCHMSA-N 2 2 338.536 3.064 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546150 461759732 /nfs/dbraw/zinc/75/97/32/461759732.db2.gz JQPAKSMPXGQJNY-HOJAQTOUSA-N 3 2 327.516 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546150 461759739 /nfs/dbraw/zinc/75/97/39/461759739.db2.gz JQPAKSMPXGQJNY-HOJAQTOUSA-N 3 2 327.516 3.161 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547833 461760478 /nfs/dbraw/zinc/76/04/78/461760478.db2.gz JOPJVHOEGNHNDG-NCYKPQTJSA-N 3 2 339.527 3.446 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CC[NH2+]C4(CCC4)C2)C3)cc1 ZINC000643547833 461760483 /nfs/dbraw/zinc/76/04/83/461760483.db2.gz JOPJVHOEGNHNDG-NCYKPQTJSA-N 3 2 339.527 3.446 20 0 EGADLP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@H]3CCCC[NH2+]3)cc2c1 ZINC000666769749 461795655 /nfs/dbraw/zinc/79/56/55/461795655.db2.gz FBKGZFFGHAYAJY-LJQANCHMSA-N 2 2 338.499 3.457 20 0 EGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000660472229 461798383 /nfs/dbraw/zinc/79/83/83/461798383.db2.gz CHQWETXSKRTRHO-FQEVSTJZSA-N 2 2 339.483 3.230 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476169 461801564 /nfs/dbraw/zinc/80/15/64/461801564.db2.gz XIVHCOKTGFCZBX-UTKZUKDTSA-N 2 2 328.500 3.423 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476169 461801567 /nfs/dbraw/zinc/80/15/67/461801567.db2.gz XIVHCOKTGFCZBX-UTKZUKDTSA-N 2 2 328.500 3.423 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(OC)c1 ZINC000647789135 461835777 /nfs/dbraw/zinc/83/57/77/461835777.db2.gz ZDKPRZKVIXWXLC-RCLSDMTESA-N 3 2 345.531 3.056 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1cccs1 ZINC000647815278 461848908 /nfs/dbraw/zinc/84/89/08/461848908.db2.gz WYWMWQQFZWRURF-GOSISDBHSA-N 2 2 349.544 3.168 20 0 EGADLP CC(C)(C)[C@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1cccs1 ZINC000647815278 461848913 /nfs/dbraw/zinc/84/89/13/461848913.db2.gz WYWMWQQFZWRURF-GOSISDBHSA-N 2 2 349.544 3.168 20 0 EGADLP CC(C)c1sc(NC(=O)C[N@H+](C)CCC[NH3+])nc1-c1ccccc1 ZINC000647847322 461857470 /nfs/dbraw/zinc/85/74/70/461857470.db2.gz JFVMVKOSVAQLIL-UHFFFAOYSA-N 2 2 346.500 3.153 20 0 EGADLP CC(C)c1sc(NC(=O)C[N@@H+](C)CCC[NH3+])nc1-c1ccccc1 ZINC000647847322 461857478 /nfs/dbraw/zinc/85/74/78/461857478.db2.gz JFVMVKOSVAQLIL-UHFFFAOYSA-N 2 2 346.500 3.153 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647872229 461865828 /nfs/dbraw/zinc/86/58/28/461865828.db2.gz JISGVCLGPPXBSK-LBPRGKRZSA-N 2 2 344.286 3.253 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647872229 461865835 /nfs/dbraw/zinc/86/58/35/461865835.db2.gz JISGVCLGPPXBSK-LBPRGKRZSA-N 2 2 344.286 3.253 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000647925494 461888293 /nfs/dbraw/zinc/88/82/93/461888293.db2.gz LPORHBJYHDYXJO-UHFFFAOYSA-N 2 2 340.349 3.069 20 0 EGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(OC)c1OC ZINC000639375042 461893340 /nfs/dbraw/zinc/89/33/40/461893340.db2.gz PNXJHIVLIRUVAW-UHFFFAOYSA-N 2 2 348.487 3.163 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000639374889 461894400 /nfs/dbraw/zinc/89/44/00/461894400.db2.gz MAXAMWGOVUWACS-FQEVSTJZSA-N 2 2 344.499 3.305 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000639374892 461894754 /nfs/dbraw/zinc/89/47/54/461894754.db2.gz MAXAMWGOVUWACS-HXUWFJFHSA-N 2 2 344.499 3.305 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936439 461894939 /nfs/dbraw/zinc/89/49/39/461894939.db2.gz DPEFWHCTTUGPOO-KEYYUXOJSA-N 2 2 337.533 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936439 461894942 /nfs/dbraw/zinc/89/49/42/461894942.db2.gz DPEFWHCTTUGPOO-KEYYUXOJSA-N 2 2 337.533 3.011 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000639376385 461895826 /nfs/dbraw/zinc/89/58/26/461895826.db2.gz GYQXSQZBUHFLDR-UHFFFAOYSA-N 2 2 341.503 3.117 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647939835 461896054 /nfs/dbraw/zinc/89/60/54/461896054.db2.gz CJXPEYRGRUDDBN-HQRMLTQVSA-N 2 2 345.531 3.122 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647939835 461896060 /nfs/dbraw/zinc/89/60/60/461896060.db2.gz CJXPEYRGRUDDBN-HQRMLTQVSA-N 2 2 345.531 3.122 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000639376365 461896108 /nfs/dbraw/zinc/89/61/08/461896108.db2.gz FKCHGBUTIXHDID-UHFFFAOYSA-N 2 2 326.488 3.483 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940891 461897254 /nfs/dbraw/zinc/89/72/54/461897254.db2.gz HUGSUPYKVNVOCK-YWZLYKJASA-N 2 2 332.463 3.388 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000647940891 461897264 /nfs/dbraw/zinc/89/72/64/461897264.db2.gz HUGSUPYKVNVOCK-YWZLYKJASA-N 2 2 332.463 3.388 20 0 EGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000656790043 461899837 /nfs/dbraw/zinc/89/98/37/461899837.db2.gz HBNFECMQPWUTEU-YOEHRIQHSA-N 2 2 338.348 3.478 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656276 461906944 /nfs/dbraw/zinc/90/69/44/461906944.db2.gz TUCXTIYZYIRZBX-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656276 461906949 /nfs/dbraw/zinc/90/69/49/461906949.db2.gz TUCXTIYZYIRZBX-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656276 461906955 /nfs/dbraw/zinc/90/69/55/461906955.db2.gz TUCXTIYZYIRZBX-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656276 461906960 /nfs/dbraw/zinc/90/69/60/461906960.db2.gz TUCXTIYZYIRZBX-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968239 461911773 /nfs/dbraw/zinc/91/17/73/461911773.db2.gz WOUICEDXNCCAQF-YLJYHZDGSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968239 461911780 /nfs/dbraw/zinc/91/17/80/461911780.db2.gz WOUICEDXNCCAQF-YLJYHZDGSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968239 461911786 /nfs/dbraw/zinc/91/17/86/461911786.db2.gz WOUICEDXNCCAQF-YLJYHZDGSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000647968239 461911791 /nfs/dbraw/zinc/91/17/91/461911791.db2.gz WOUICEDXNCCAQF-YLJYHZDGSA-N 2 2 329.488 3.396 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970914 461913419 /nfs/dbraw/zinc/91/34/19/461913419.db2.gz LMHSYQBDIVOOER-WMLDXEAASA-N 2 2 330.875 3.467 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000647970914 461913421 /nfs/dbraw/zinc/91/34/21/461913421.db2.gz LMHSYQBDIVOOER-WMLDXEAASA-N 2 2 330.875 3.467 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674206 461920533 /nfs/dbraw/zinc/92/05/33/461920533.db2.gz MSYCNCQDHASHFT-HXUWFJFHSA-N 2 2 343.515 3.032 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CNc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000650748414 461930983 /nfs/dbraw/zinc/93/09/83/461930983.db2.gz UCXIQPAZSDARDD-UIFIKXQLSA-N 2 2 337.467 3.115 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657311900 462035797 /nfs/dbraw/zinc/03/57/97/462035797.db2.gz YQXSCCCUCGPEDU-QGZVFWFLSA-N 3 2 338.499 3.494 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657311900 462035799 /nfs/dbraw/zinc/03/57/99/462035799.db2.gz YQXSCCCUCGPEDU-QGZVFWFLSA-N 3 2 338.499 3.494 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(C4CC4)CC3)C2)cc1 ZINC000644720369 462050733 /nfs/dbraw/zinc/05/07/33/462050733.db2.gz YQIFGBMACZMOIV-OAQYLSRUSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(C4CC4)CC3)C2)cc1 ZINC000644720369 462050737 /nfs/dbraw/zinc/05/07/37/462050737.db2.gz YQIFGBMACZMOIV-OAQYLSRUSA-N 2 2 328.500 3.400 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC000657431407 462117801 /nfs/dbraw/zinc/11/78/01/462117801.db2.gz GRQNBZXPUSLABV-SLFFLAALSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC000657431407 462117806 /nfs/dbraw/zinc/11/78/06/462117806.db2.gz GRQNBZXPUSLABV-SLFFLAALSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC000657431407 462117808 /nfs/dbraw/zinc/11/78/08/462117808.db2.gz GRQNBZXPUSLABV-SLFFLAALSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1C ZINC000657431407 462117812 /nfs/dbraw/zinc/11/78/12/462117812.db2.gz GRQNBZXPUSLABV-SLFFLAALSA-N 2 2 338.499 3.417 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648440104 462119925 /nfs/dbraw/zinc/11/99/25/462119925.db2.gz JGRPTNIYGAKBKW-UHFFFAOYSA-N 2 2 337.851 3.072 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000644901108 462124072 /nfs/dbraw/zinc/12/40/72/462124072.db2.gz JBOGKKZOFFFKAQ-HKUYNNGSSA-N 2 2 342.487 3.086 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)n1C ZINC000644901108 462124076 /nfs/dbraw/zinc/12/40/76/462124076.db2.gz JBOGKKZOFFFKAQ-HKUYNNGSSA-N 2 2 342.487 3.086 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccnn3CC3CC3)C2)CC1 ZINC000667561414 462143775 /nfs/dbraw/zinc/14/37/75/462143775.db2.gz WGNTZBCBEQGZPX-IBGZPJMESA-N 2 2 330.520 3.237 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccnn3CC3CC3)C2)CC1 ZINC000667561414 462143782 /nfs/dbraw/zinc/14/37/82/462143782.db2.gz WGNTZBCBEQGZPX-IBGZPJMESA-N 2 2 330.520 3.237 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000639902318 462160339 /nfs/dbraw/zinc/16/03/39/462160339.db2.gz IDGCHUUFJNGPLX-OAQYLSRUSA-N 2 2 335.451 3.198 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000639902318 462160347 /nfs/dbraw/zinc/16/03/47/462160347.db2.gz IDGCHUUFJNGPLX-OAQYLSRUSA-N 2 2 335.451 3.198 20 0 EGADLP C[N@H+](Cc1ccnn1CC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599684 462166128 /nfs/dbraw/zinc/16/61/28/462166128.db2.gz ZIRYSDZXKZEXGW-UHFFFAOYSA-N 2 2 338.499 3.390 20 0 EGADLP C[N@@H+](Cc1ccnn1CC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599684 462166132 /nfs/dbraw/zinc/16/61/32/462166132.db2.gz ZIRYSDZXKZEXGW-UHFFFAOYSA-N 2 2 338.499 3.390 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)n1C ZINC000667599948 462166506 /nfs/dbraw/zinc/16/65/06/462166506.db2.gz GCXXUZAIQOQONX-UHFFFAOYSA-N 2 2 337.427 3.158 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)[nH+]1 ZINC000667614830 462174863 /nfs/dbraw/zinc/17/48/63/462174863.db2.gz IAVBXHXVZLGZEU-DLBZAZTESA-N 2 2 330.476 3.250 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NC[C@@H](c3ccco3)[NH+]3CCCC3)c2c1C ZINC000645095920 462175905 /nfs/dbraw/zinc/17/59/05/462175905.db2.gz LSKPHUASWSZDCP-AWEZNQCLSA-N 2 2 325.416 3.417 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174308 462216451 /nfs/dbraw/zinc/21/64/51/462216451.db2.gz STEUSXSOBWIIAO-BBRMVZONSA-N 2 2 345.491 3.124 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174308 462216456 /nfs/dbraw/zinc/21/64/56/462216456.db2.gz STEUSXSOBWIIAO-BBRMVZONSA-N 2 2 345.491 3.124 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174319 462216601 /nfs/dbraw/zinc/21/66/01/462216601.db2.gz STEUSXSOBWIIAO-XJKSGUPXSA-N 2 2 345.491 3.124 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]c(C)c(C)c32)[C@@H](C)C1 ZINC000645174319 462216605 /nfs/dbraw/zinc/21/66/05/462216605.db2.gz STEUSXSOBWIIAO-XJKSGUPXSA-N 2 2 345.491 3.124 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1C ZINC000645195557 462227995 /nfs/dbraw/zinc/22/79/95/462227995.db2.gz RKIACDDXUFUDSZ-HOCLYGCPSA-N 2 2 325.460 3.028 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1C ZINC000645195557 462227999 /nfs/dbraw/zinc/22/79/99/462227999.db2.gz RKIACDDXUFUDSZ-HOCLYGCPSA-N 2 2 325.460 3.028 20 0 EGADLP c1csc(-c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)c1 ZINC000657751883 462252129 /nfs/dbraw/zinc/25/21/29/462252129.db2.gz VGDHCABFNOVJSS-AWEZNQCLSA-N 2 2 349.525 3.215 20 0 EGADLP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000657772791 462259381 /nfs/dbraw/zinc/25/93/81/462259381.db2.gz IIOYQFTYFXLUEG-ZOWXZIJZSA-N 2 2 329.271 3.243 20 0 EGADLP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC000657772791 462259386 /nfs/dbraw/zinc/25/93/86/462259386.db2.gz IIOYQFTYFXLUEG-ZOWXZIJZSA-N 2 2 329.271 3.243 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)on1 ZINC000657821001 462282536 /nfs/dbraw/zinc/28/25/36/462282536.db2.gz YCAADNGKXBNFSL-LSDHHAIUSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)on1 ZINC000657821001 462282538 /nfs/dbraw/zinc/28/25/38/462282538.db2.gz YCAADNGKXBNFSL-LSDHHAIUSA-N 2 2 327.428 3.067 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650942 462289521 /nfs/dbraw/zinc/28/95/21/462289521.db2.gz FSCLSMBELLCJNC-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650942 462289525 /nfs/dbraw/zinc/28/95/25/462289525.db2.gz FSCLSMBELLCJNC-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000651650942 462289533 /nfs/dbraw/zinc/28/95/33/462289533.db2.gz FSCLSMBELLCJNC-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000651650942 462289540 /nfs/dbraw/zinc/28/95/40/462289540.db2.gz FSCLSMBELLCJNC-KDOFPFPSSA-N 2 2 348.462 3.292 20 0 EGADLP CCOC1CCC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000657901510 462312258 /nfs/dbraw/zinc/31/22/58/462312258.db2.gz DFAQIHVKNIDFNG-UHFFFAOYSA-N 2 2 338.536 3.206 20 0 EGADLP COC[C@@H](CC(C)(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000651736357 462319554 /nfs/dbraw/zinc/31/95/54/462319554.db2.gz WKOCONXEWXIPFR-MRXNPFEDSA-N 2 2 348.535 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000658070424 462367517 /nfs/dbraw/zinc/36/75/17/462367517.db2.gz YWQCUATWZKINAC-IIDMSEBBSA-N 2 2 333.907 3.239 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000658070424 462367523 /nfs/dbraw/zinc/36/75/23/462367523.db2.gz YWQCUATWZKINAC-IIDMSEBBSA-N 2 2 333.907 3.239 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cccnc2)cc1F ZINC000665259474 462374300 /nfs/dbraw/zinc/37/43/00/462374300.db2.gz HDMMJLVFOLMAGU-SKDZVZGDSA-N 2 2 329.419 3.026 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000654758564 462375266 /nfs/dbraw/zinc/37/52/66/462375266.db2.gz GEHWMFVUUXLCSF-ROUUACIJSA-N 2 2 349.906 3.030 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CC3 ZINC000658090261 462378539 /nfs/dbraw/zinc/37/85/39/462378539.db2.gz FVUORTUJMSGGEI-LSDHHAIUSA-N 2 2 341.499 3.496 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CC3 ZINC000658090261 462378543 /nfs/dbraw/zinc/37/85/43/462378543.db2.gz FVUORTUJMSGGEI-LSDHHAIUSA-N 2 2 341.499 3.496 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000645613162 462380463 /nfs/dbraw/zinc/38/04/63/462380463.db2.gz FKRMCCLDCGVUCY-UHFFFAOYSA-N 2 2 349.438 3.065 20 0 EGADLP COc1ccc(C[C@H]2CCCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000651955423 462390795 /nfs/dbraw/zinc/39/07/95/462390795.db2.gz LEGLOYWDNHNMET-QGZVFWFLSA-N 2 2 342.487 3.092 20 0 EGADLP COc1ccc(C[C@H]2CCCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000651955423 462390800 /nfs/dbraw/zinc/39/08/00/462390800.db2.gz LEGLOYWDNHNMET-QGZVFWFLSA-N 2 2 342.487 3.092 20 0 EGADLP COc1ccc(-c2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)on2)cc1 ZINC000658182145 462422416 /nfs/dbraw/zinc/42/24/16/462422416.db2.gz HPTWLEVLCPQIMC-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230334 462436639 /nfs/dbraw/zinc/43/66/39/462436639.db2.gz YHPLNSWNHNZMRT-QZTJIDSGSA-N 2 2 343.515 3.425 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230334 462436642 /nfs/dbraw/zinc/43/66/42/462436642.db2.gz YHPLNSWNHNZMRT-QZTJIDSGSA-N 2 2 343.515 3.425 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)CC1 ZINC000652135212 462444963 /nfs/dbraw/zinc/44/49/63/462444963.db2.gz JQBFVELIIHYGCW-FQEVSTJZSA-N 2 2 325.456 3.254 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000645852459 462445558 /nfs/dbraw/zinc/44/55/58/462445558.db2.gz SWMAHYXDKYPACJ-INIZCTEOSA-N 2 2 335.245 3.018 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141662 462448435 /nfs/dbraw/zinc/44/84/35/462448435.db2.gz WNTNDPQQMLQUCC-JXFKEZNVSA-N 2 2 325.456 3.111 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141662 462448443 /nfs/dbraw/zinc/44/84/43/462448443.db2.gz WNTNDPQQMLQUCC-JXFKEZNVSA-N 2 2 325.456 3.111 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000652154930 462454948 /nfs/dbraw/zinc/45/49/48/462454948.db2.gz RXRGBIXNXFZSHT-MDYRTPRTSA-N 2 2 325.456 3.252 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccn2)cc1 ZINC000652154930 462454951 /nfs/dbraw/zinc/45/49/51/462454951.db2.gz RXRGBIXNXFZSHT-MDYRTPRTSA-N 2 2 325.456 3.252 20 0 EGADLP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000645885740 462456929 /nfs/dbraw/zinc/45/69/29/462456929.db2.gz BZOSBGLJMCZUEK-WIYYLYMNSA-N 2 2 338.499 3.136 20 0 EGADLP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000645885740 462456931 /nfs/dbraw/zinc/45/69/31/462456931.db2.gz BZOSBGLJMCZUEK-WIYYLYMNSA-N 2 2 338.499 3.136 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000658292712 462459907 /nfs/dbraw/zinc/45/99/07/462459907.db2.gz ACKMNNMMBFQDTE-HKUYNNGSSA-N 2 2 332.488 3.298 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000658294959 462461338 /nfs/dbraw/zinc/46/13/38/462461338.db2.gz KLEQKQMZBZBEOO-MAUKXSAKSA-N 2 2 325.456 3.139 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296469 462462410 /nfs/dbraw/zinc/46/24/10/462462410.db2.gz ZVBOXLLLJNYHOR-PKOBYXMFSA-N 2 2 330.472 3.052 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000658354949 462488854 /nfs/dbraw/zinc/48/88/54/462488854.db2.gz DFJDWEBCQUKUGB-YOEHRIQHSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000658354949 462488859 /nfs/dbraw/zinc/48/88/59/462488859.db2.gz DFJDWEBCQUKUGB-YOEHRIQHSA-N 2 2 329.444 3.170 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)ccc1Cl)CCO2 ZINC000646104207 462518617 /nfs/dbraw/zinc/51/86/17/462518617.db2.gz BLQNGZKNLBJJHS-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)ccc1Cl)CCO2 ZINC000646104207 462518619 /nfs/dbraw/zinc/51/86/19/462518619.db2.gz BLQNGZKNLBJJHS-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC2OCCCO2)CC1 ZINC000280154789 518193105 /nfs/dbraw/zinc/19/31/05/518193105.db2.gz DNQHCRVTSNFCBU-UHFFFAOYSA-N 2 2 329.444 3.135 20 0 EGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2n1 ZINC000187164958 534465634 /nfs/dbraw/zinc/46/56/34/534465634.db2.gz HPQYEDGCXPUZBN-LJQANCHMSA-N 2 2 339.483 3.087 20 0 EGADLP Cc1ccc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc2n1 ZINC000187164958 534465643 /nfs/dbraw/zinc/46/56/43/534465643.db2.gz HPQYEDGCXPUZBN-LJQANCHMSA-N 2 2 339.483 3.087 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003529 536465019 /nfs/dbraw/zinc/46/50/19/536465019.db2.gz SWWJGDWRMACBHW-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003529 536465021 /nfs/dbraw/zinc/46/50/21/536465021.db2.gz SWWJGDWRMACBHW-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003529 536465022 /nfs/dbraw/zinc/46/50/22/536465022.db2.gz SWWJGDWRMACBHW-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCc3ccncc3)[C@H]2C1 ZINC000353003529 536465023 /nfs/dbraw/zinc/46/50/23/536465023.db2.gz SWWJGDWRMACBHW-QUCCMNQESA-N 2 2 337.467 3.187 20 0 EGADLP CC(C)C[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[NH+](C)C ZINC000131892599 528531775 /nfs/dbraw/zinc/53/17/75/528531775.db2.gz QNPRSWDCBWIRND-BQIYRTECSA-N 2 2 343.515 3.385 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cnc21 ZINC000129509727 528662180 /nfs/dbraw/zinc/66/21/80/528662180.db2.gz XCHGPCXXVKKGJC-YJBOKZPZSA-N 2 2 338.459 3.292 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cnc21 ZINC000129509727 528662186 /nfs/dbraw/zinc/66/21/86/528662186.db2.gz XCHGPCXXVKKGJC-YJBOKZPZSA-N 2 2 338.459 3.292 20 0 EGADLP CC[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccncc1 ZINC000344553479 535803020 /nfs/dbraw/zinc/80/30/20/535803020.db2.gz ORSJURXCBVNJAT-LJQANCHMSA-N 2 2 331.504 3.405 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)n2)cc1 ZINC000246561666 536541473 /nfs/dbraw/zinc/54/14/73/536541473.db2.gz HGWNFAJXAFRFBV-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)n2)cc1 ZINC000246561666 536541481 /nfs/dbraw/zinc/54/14/81/536541481.db2.gz HGWNFAJXAFRFBV-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000246561666 536541486 /nfs/dbraw/zinc/54/14/86/536541486.db2.gz HGWNFAJXAFRFBV-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000246561666 536541489 /nfs/dbraw/zinc/54/14/89/536541489.db2.gz HGWNFAJXAFRFBV-CABCVRRESA-N 2 2 344.459 3.080 20 0 EGADLP C[NH+]1CCC(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185047 546654548 /nfs/dbraw/zinc/65/45/48/546654548.db2.gz CDEYETFFTOZIAU-HXUWFJFHSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185047 546654553 /nfs/dbraw/zinc/65/45/53/546654553.db2.gz CDEYETFFTOZIAU-HXUWFJFHSA-N 3 2 329.532 3.361 20 0 EGADLP CN(C)c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000119331760 546705175 /nfs/dbraw/zinc/70/51/75/546705175.db2.gz IOKAEXVDEZRVRA-UHFFFAOYSA-N 2 2 338.499 3.244 20 0 EGADLP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000119331760 546705179 /nfs/dbraw/zinc/70/51/79/546705179.db2.gz IOKAEXVDEZRVRA-UHFFFAOYSA-N 2 2 338.499 3.244 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)c1 ZINC000154872280 546895714 /nfs/dbraw/zinc/89/57/14/546895714.db2.gz LSXVXJJFVZIJAZ-UWJYYQICSA-N 3 2 345.531 3.152 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157125891 546918170 /nfs/dbraw/zinc/91/81/70/546918170.db2.gz IGPNMZZKNDMDPO-CYBMUJFWSA-N 2 2 327.457 3.246 20 0 EGADLP CCC(CC)(CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000193257437 547211761 /nfs/dbraw/zinc/21/17/61/547211761.db2.gz NTBARTMJXKRJCQ-INIZCTEOSA-N 2 2 342.487 3.368 20 0 EGADLP CCC(CC)(CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000193257437 547211765 /nfs/dbraw/zinc/21/17/65/547211765.db2.gz NTBARTMJXKRJCQ-INIZCTEOSA-N 2 2 342.487 3.368 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339243459 547570990 /nfs/dbraw/zinc/57/09/90/547570990.db2.gz GIEDWBYVONWBAZ-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339243459 547570996 /nfs/dbraw/zinc/57/09/96/547570996.db2.gz GIEDWBYVONWBAZ-MRXNPFEDSA-N 2 2 342.487 3.116 20 0 EGADLP CCn1cncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390519519 547828032 /nfs/dbraw/zinc/82/80/32/547828032.db2.gz BEQVROTYWTUXQB-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP CCn1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390519519 547828035 /nfs/dbraw/zinc/82/80/35/547828035.db2.gz BEQVROTYWTUXQB-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP CCn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390519522 547828259 /nfs/dbraw/zinc/82/82/59/547828259.db2.gz BEQVROTYWTUXQB-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP CCn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390519522 547828261 /nfs/dbraw/zinc/82/82/61/547828261.db2.gz BEQVROTYWTUXQB-LJQANCHMSA-N 2 2 326.488 3.293 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000675740650 548972098 /nfs/dbraw/zinc/97/20/98/548972098.db2.gz SGBCOGPLFWJLLN-UHFFFAOYSA-N 3 2 343.559 3.404 20 0 EGADLP O[C@]1(C[NH2+][C@@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000675898030 548999881 /nfs/dbraw/zinc/99/98/81/548999881.db2.gz DIGKJGJVRGUZFZ-QUCCMNQESA-N 2 2 340.492 3.060 20 0 EGADLP O[C@]1(C[NH2+][C@@H]2CSc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898030 548999883 /nfs/dbraw/zinc/99/98/83/548999883.db2.gz DIGKJGJVRGUZFZ-QUCCMNQESA-N 2 2 340.492 3.060 20 0 EGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000676236091 549058937 /nfs/dbraw/zinc/05/89/37/549058937.db2.gz VHSOEHYYTOGEBD-UYAOXDASSA-N 2 2 326.484 3.463 20 0 EGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000676236091 549058939 /nfs/dbraw/zinc/05/89/39/549058939.db2.gz VHSOEHYYTOGEBD-UYAOXDASSA-N 2 2 326.484 3.463 20 0 EGADLP CC(C)c1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(C(C)C)[nH+]1 ZINC000677742923 549324556 /nfs/dbraw/zinc/32/45/56/549324556.db2.gz UPXLKDXJCQJQEP-INIZCTEOSA-N 2 2 332.492 3.024 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)nn3)C2)c[nH+]1 ZINC000677982908 549369814 /nfs/dbraw/zinc/36/98/14/549369814.db2.gz GAQIZEGBVISYPO-QGZVFWFLSA-N 2 2 335.411 3.303 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)nn3)C2)c[nH+]1 ZINC000677982908 549369816 /nfs/dbraw/zinc/36/98/16/549369816.db2.gz GAQIZEGBVISYPO-QGZVFWFLSA-N 2 2 335.411 3.303 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000678131817 549405712 /nfs/dbraw/zinc/40/57/12/549405712.db2.gz PBSJWRJVBUEOEC-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000678131817 549405714 /nfs/dbraw/zinc/40/57/14/549405714.db2.gz PBSJWRJVBUEOEC-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000678588490 549525033 /nfs/dbraw/zinc/52/50/33/549525033.db2.gz ZLYLXGJDBYWLBW-IAGOWNOFSA-N 2 2 338.455 3.068 20 0 EGADLP CC[C@H](C)CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680192335 549830308 /nfs/dbraw/zinc/83/03/08/549830308.db2.gz ULHZUTYYUWHECA-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP CC[C@H](C)CCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680192335 549830310 /nfs/dbraw/zinc/83/03/10/549830310.db2.gz ULHZUTYYUWHECA-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP Cc1ccc2c(C)cc(N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)[nH+]c2c1 ZINC000680856342 549919317 /nfs/dbraw/zinc/91/93/17/549919317.db2.gz WQKFEJHFZBFMBX-GOSISDBHSA-N 2 2 338.499 3.068 20 0 EGADLP Cc1ccc2c(C)cc(N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)[nH+]c2c1 ZINC000680856342 549919318 /nfs/dbraw/zinc/91/93/18/549919318.db2.gz WQKFEJHFZBFMBX-GOSISDBHSA-N 2 2 338.499 3.068 20 0 EGADLP CC(C)(CC[NH+]1CCCCCC1)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000681245867 549972646 /nfs/dbraw/zinc/97/26/46/549972646.db2.gz YYLXSORBHLBTIM-UHFFFAOYSA-N 2 2 328.464 3.119 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000682084091 550071630 /nfs/dbraw/zinc/07/16/30/550071630.db2.gz ZRBHDLFLVIZGQJ-MRXNPFEDSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000682084091 550071632 /nfs/dbraw/zinc/07/16/32/550071632.db2.gz ZRBHDLFLVIZGQJ-MRXNPFEDSA-N 2 2 325.391 3.045 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683515667 550238028 /nfs/dbraw/zinc/23/80/28/550238028.db2.gz TWWRYMRSOJEOHF-GOSISDBHSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000683515667 550238030 /nfs/dbraw/zinc/23/80/30/550238030.db2.gz TWWRYMRSOJEOHF-GOSISDBHSA-N 2 2 338.455 3.309 20 0 EGADLP CO[C@@H](c1ccccc1)[C@H](C)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000683819991 550265221 /nfs/dbraw/zinc/26/52/21/550265221.db2.gz OUYPUMXPEMSJAW-OXJNMPFZSA-N 2 2 340.471 3.022 20 0 EGADLP C[N@H+](Cc1cc2ccccc2[nH]1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000684025659 550282891 /nfs/dbraw/zinc/28/28/91/550282891.db2.gz QYZYVHAXKQLAEE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000684025659 550282893 /nfs/dbraw/zinc/28/28/93/550282893.db2.gz QYZYVHAXKQLAEE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1cc2ccccc2[nH]1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000684025659 550282896 /nfs/dbraw/zinc/28/28/96/550282896.db2.gz QYZYVHAXKQLAEE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1cc2ccccc2[nH]1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000684025659 550282898 /nfs/dbraw/zinc/28/28/98/550282898.db2.gz QYZYVHAXKQLAEE-JOCHJYFZSA-N 2 2 349.478 3.237 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000684111809 550292388 /nfs/dbraw/zinc/29/23/88/550292388.db2.gz FMSAVODEZRMQCD-AEFFLSMTSA-N 2 2 335.455 3.422 20 0 EGADLP C[C@H](c1nccs1)[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684583589 550345765 /nfs/dbraw/zinc/34/57/65/550345765.db2.gz WQNUSUYUUJKBDA-CYBMUJFWSA-N 2 2 340.452 3.280 20 0 EGADLP Cc1noc([C@H](C)[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000684621181 550349860 /nfs/dbraw/zinc/34/98/60/550349860.db2.gz UQTBOBMCCPWZRA-LBPRGKRZSA-N 2 2 325.416 3.434 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000685301595 550408481 /nfs/dbraw/zinc/40/84/81/550408481.db2.gz ILYSKZZSYYXVTI-GOSISDBHSA-N 2 2 349.438 3.032 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000685875364 550450666 /nfs/dbraw/zinc/45/06/66/550450666.db2.gz RGPSMBKRLXBPNX-SJORKVTESA-N 2 2 332.492 3.221 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000685875364 550450667 /nfs/dbraw/zinc/45/06/67/550450667.db2.gz RGPSMBKRLXBPNX-SJORKVTESA-N 2 2 332.492 3.221 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000685875361 550450979 /nfs/dbraw/zinc/45/09/79/550450979.db2.gz RGPSMBKRLXBPNX-IAGOWNOFSA-N 2 2 332.492 3.221 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000685875361 550450980 /nfs/dbraw/zinc/45/09/80/550450980.db2.gz RGPSMBKRLXBPNX-IAGOWNOFSA-N 2 2 332.492 3.221 20 0 EGADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCSc3ccc(F)cc3)CC2)S1 ZINC000749366507 574631351 /nfs/dbraw/zinc/63/13/51/574631351.db2.gz KGFAELJVOISGPV-ZDUSSCGKSA-N 2 2 339.505 3.027 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000727469299 574670143 /nfs/dbraw/zinc/67/01/43/574670143.db2.gz SUBGLYNUCMFFGJ-IRXDYDNUSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000734509348 575504696 /nfs/dbraw/zinc/50/46/96/575504696.db2.gz HLIUJPXGQKFTLQ-SJLPKXTDSA-N 2 2 344.430 3.347 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000734509348 575504700 /nfs/dbraw/zinc/50/47/00/575504700.db2.gz HLIUJPXGQKFTLQ-SJLPKXTDSA-N 2 2 344.430 3.347 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)c(Cl)nc21 ZINC000742374791 576775574 /nfs/dbraw/zinc/77/55/74/576775574.db2.gz HBBDAVSZHFMMIB-DOMZBBRYSA-N 2 2 335.883 3.238 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c(Cl)nc21 ZINC000742374791 576775575 /nfs/dbraw/zinc/77/55/75/576775575.db2.gz HBBDAVSZHFMMIB-DOMZBBRYSA-N 2 2 335.883 3.238 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC000743317112 576805654 /nfs/dbraw/zinc/80/56/54/576805654.db2.gz NGGAXTFTZYPGQD-CQSZACIVSA-N 2 2 338.521 3.188 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000743637256 576813796 /nfs/dbraw/zinc/81/37/96/576813796.db2.gz KPMYXPIKZJCVES-UHFFFAOYSA-N 2 2 344.286 3.394 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)c2)c[nH+]1 ZINC000030902019 1291357274 /nfs/dbraw/zinc/35/72/74/1291357274.db2.gz TULWYHIVSGYERI-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)n1cc[nH+]c1 ZINC000045858636 1291519465 /nfs/dbraw/zinc/51/94/65/1291519465.db2.gz NHFWAGJRFWNEPC-JKSUJKDBSA-N 2 2 346.500 3.095 20 0 EGADLP CN(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000048777566 1291619295 /nfs/dbraw/zinc/61/92/95/1291619295.db2.gz LBVZHQSIKJNQGL-FQEVSTJZSA-N 2 2 338.430 3.404 20 0 EGADLP FC(F)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(OC(F)F)c1 ZINC000060806727 1291944327 /nfs/dbraw/zinc/94/43/27/1291944327.db2.gz RTGRYQMMVFEDRN-UHFFFAOYSA-N 2 2 347.312 3.266 20 0 EGADLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319831 1292006593 /nfs/dbraw/zinc/00/65/93/1292006593.db2.gz MJRVMOGCEPRMLP-UHFFFAOYSA-N 2 2 332.488 3.448 20 0 EGADLP CC/C(C)=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827684853 1292355755 /nfs/dbraw/zinc/35/57/55/1292355755.db2.gz HALNYVBBASNCLW-OVMWUVNSSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C(C)=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827684853 1292355760 /nfs/dbraw/zinc/35/57/60/1292355760.db2.gz HALNYVBBASNCLW-OVMWUVNSSA-N 2 2 335.536 3.138 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)c1C ZINC000827971432 1292414438 /nfs/dbraw/zinc/41/44/38/1292414438.db2.gz XZQLYNHCGFEASR-QGZVFWFLSA-N 2 2 347.503 3.401 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000111570502 1293107170 /nfs/dbraw/zinc/10/71/70/1293107170.db2.gz VOWHXOURMOIUES-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000111570502 1293107176 /nfs/dbraw/zinc/10/71/76/1293107176.db2.gz VOWHXOURMOIUES-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP COC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccco1 ZINC000156655980 1294153133 /nfs/dbraw/zinc/15/31/33/1294153133.db2.gz UKMRDBFFPQVFBX-IBGZPJMESA-N 2 2 343.471 3.292 20 0 EGADLP c1nn(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157995145 1294193069 /nfs/dbraw/zinc/19/30/69/1294193069.db2.gz CEDINSGQMQDOPT-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157995145 1294193075 /nfs/dbraw/zinc/19/30/75/1294193075.db2.gz CEDINSGQMQDOPT-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157995145 1294193078 /nfs/dbraw/zinc/19/30/78/1294193078.db2.gz CEDINSGQMQDOPT-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157995145 1294193082 /nfs/dbraw/zinc/19/30/82/1294193082.db2.gz CEDINSGQMQDOPT-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(C)CCCC[C@H]3O)CC2)cc1 ZINC000159217510 1294229192 /nfs/dbraw/zinc/22/91/92/1294229192.db2.gz YXCGQNIFWSAYFK-RTWAWAEBSA-N 2 2 345.531 3.252 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000163145740 1294329462 /nfs/dbraw/zinc/32/94/62/1294329462.db2.gz DZWKZJWKVRUJNA-NRFANRHFSA-N 2 2 345.531 3.252 20 0 EGADLP C[C@H](CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH2+]CC1 ZINC000163543994 1294335854 /nfs/dbraw/zinc/33/58/54/1294335854.db2.gz NTHQXLISNGOMPG-HZPDHXFCSA-N 2 2 340.471 3.075 20 0 EGADLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1O ZINC000187065107 1295364728 /nfs/dbraw/zinc/36/47/28/1295364728.db2.gz XQZIBFKGSQRBHQ-WCQYABFASA-N 2 2 327.266 3.208 20 0 EGADLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1O ZINC000187065107 1295364735 /nfs/dbraw/zinc/36/47/35/1295364735.db2.gz XQZIBFKGSQRBHQ-WCQYABFASA-N 2 2 327.266 3.208 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000237248127 1296231985 /nfs/dbraw/zinc/23/19/85/1296231985.db2.gz MRBAYVNRMMNVKE-UHFFFAOYSA-N 2 2 325.387 3.448 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000237352543 1296237277 /nfs/dbraw/zinc/23/72/77/1296237277.db2.gz BPGMFHBBQXTKDM-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000237352543 1296237280 /nfs/dbraw/zinc/23/72/80/1296237280.db2.gz BPGMFHBBQXTKDM-KGLIPLIRSA-N 2 2 326.387 3.013 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000246218014 1296343858 /nfs/dbraw/zinc/34/38/58/1296343858.db2.gz AYUVVWDJWZOGIB-VYDXJSESSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000246218014 1296343870 /nfs/dbraw/zinc/34/38/70/1296343870.db2.gz AYUVVWDJWZOGIB-VYDXJSESSA-N 2 2 339.524 3.237 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871877342 1296586677 /nfs/dbraw/zinc/58/66/77/1296586677.db2.gz GFQRNNVGKSVHCM-IBGZPJMESA-N 2 2 331.504 3.199 20 0 EGADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155946 1296771877 /nfs/dbraw/zinc/77/18/77/1296771877.db2.gz BGPHEYAAYOMQTG-ZBFHGGJFSA-N 2 2 334.508 3.487 20 0 EGADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)no1 ZINC000872155946 1296771889 /nfs/dbraw/zinc/77/18/89/1296771889.db2.gz BGPHEYAAYOMQTG-ZBFHGGJFSA-N 2 2 334.508 3.487 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000301515325 1296789533 /nfs/dbraw/zinc/78/95/33/1296789533.db2.gz OMWKQYJOHNEDHM-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000301515325 1296789548 /nfs/dbraw/zinc/78/95/48/1296789548.db2.gz OMWKQYJOHNEDHM-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000301756984 1296794998 /nfs/dbraw/zinc/79/49/98/1296794998.db2.gz FCJJZOVRECGNDJ-VYDXJSESSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000301756984 1296795009 /nfs/dbraw/zinc/79/50/09/1296795009.db2.gz FCJJZOVRECGNDJ-VYDXJSESSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@@H](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000378870917 1297522335 /nfs/dbraw/zinc/52/23/35/1297522335.db2.gz NKCODXSKWQKKRJ-HNNXBMFYSA-N 2 2 344.459 3.265 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@@]4(CCC[NH2+]4)C3)CCC2)c1 ZINC000420404088 1297788129 /nfs/dbraw/zinc/78/81/29/1297788129.db2.gz NUEPVNCJKFYBDV-NRFANRHFSA-N 2 2 344.499 3.210 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CC[C@@]4(CCC[NH2+]4)C3)CCC2)c1 ZINC000420404088 1297788135 /nfs/dbraw/zinc/78/81/35/1297788135.db2.gz NUEPVNCJKFYBDV-NRFANRHFSA-N 2 2 344.499 3.210 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CC[C@@H](C)C[C@H]2n2cncn2)cc1 ZINC000423254242 1297796305 /nfs/dbraw/zinc/79/63/05/1297796305.db2.gz ZQZQGFXZIPJCKD-GEALJGNFSA-N 2 2 341.503 3.421 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cc(F)cc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000687630477 1298119983 /nfs/dbraw/zinc/11/99/83/1298119983.db2.gz IOBSVBOHCYMLTO-UHFFFAOYSA-N 2 2 337.439 3.357 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000712455036 1298265193 /nfs/dbraw/zinc/26/51/93/1298265193.db2.gz JRUGOEDGHHVFAY-QGZVFWFLSA-N 2 2 346.906 3.465 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000712455036 1298265200 /nfs/dbraw/zinc/26/52/00/1298265200.db2.gz JRUGOEDGHHVFAY-QGZVFWFLSA-N 2 2 346.906 3.465 20 0 EGADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)cc1O ZINC000876957296 1299088927 /nfs/dbraw/zinc/08/89/27/1299088927.db2.gz WZUCSZHOIPMJKH-MRXNPFEDSA-N 2 2 337.851 3.455 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055055 1299134100 /nfs/dbraw/zinc/13/41/00/1299134100.db2.gz OBENPRTWXYEZMP-MLGOLLRUSA-N 2 2 336.892 3.364 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)nn2)[C@@H]1c1cccs1 ZINC000877055055 1299134105 /nfs/dbraw/zinc/13/41/05/1299134105.db2.gz OBENPRTWXYEZMP-MLGOLLRUSA-N 2 2 336.892 3.364 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073723 1299145948 /nfs/dbraw/zinc/14/59/48/1299145948.db2.gz RDNIPXUDYRWLNJ-PBHICJAKSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073723 1299145949 /nfs/dbraw/zinc/14/59/49/1299145949.db2.gz RDNIPXUDYRWLNJ-PBHICJAKSA-N 2 2 330.863 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059317 1299730927 /nfs/dbraw/zinc/73/09/27/1299730927.db2.gz OWPRISUMRYXYTF-QZTJIDSGSA-N 2 2 326.444 3.246 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059317 1299730932 /nfs/dbraw/zinc/73/09/32/1299730932.db2.gz OWPRISUMRYXYTF-QZTJIDSGSA-N 2 2 326.444 3.246 20 0 EGADLP CN(C)c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccn1 ZINC000754271636 1300113749 /nfs/dbraw/zinc/11/37/49/1300113749.db2.gz OXKMZIBWYMPAQV-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000754874474 1300237287 /nfs/dbraw/zinc/23/72/87/1300237287.db2.gz XWORQTKDGYDEMI-SFHVURJKSA-N 2 2 329.419 3.129 20 0 EGADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759147773 1301025958 /nfs/dbraw/zinc/02/59/58/1301025958.db2.gz OOVHFUYHCVMOOI-RHSMWYFYSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759147773 1301025972 /nfs/dbraw/zinc/02/59/72/1301025972.db2.gz OOVHFUYHCVMOOI-RHSMWYFYSA-N 2 2 327.457 3.349 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853351 1301177891 /nfs/dbraw/zinc/17/78/91/1301177891.db2.gz NDYKUNSVMIRSML-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853351 1301177895 /nfs/dbraw/zinc/17/78/95/1301177895.db2.gz NDYKUNSVMIRSML-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853351 1301177898 /nfs/dbraw/zinc/17/78/98/1301177898.db2.gz NDYKUNSVMIRSML-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853351 1301177905 /nfs/dbraw/zinc/17/79/05/1301177905.db2.gz NDYKUNSVMIRSML-CXAGYDPISA-N 2 2 328.859 3.176 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)ncc1F ZINC000762736580 1301741774 /nfs/dbraw/zinc/74/17/74/1301741774.db2.gz RAGDGEJYSVSYNH-QJPTWQEYSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)ncc1F ZINC000762736580 1301741778 /nfs/dbraw/zinc/74/17/78/1301741778.db2.gz RAGDGEJYSVSYNH-QJPTWQEYSA-N 2 2 342.256 3.261 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000764459437 1302066857 /nfs/dbraw/zinc/06/68/57/1302066857.db2.gz HRRGPWHTRBUZNL-GOSISDBHSA-N 2 2 341.455 3.016 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882951826 1302181264 /nfs/dbraw/zinc/18/12/64/1302181264.db2.gz WNPHYLFFUKAKQE-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882951826 1302181265 /nfs/dbraw/zinc/18/12/65/1302181265.db2.gz WNPHYLFFUKAKQE-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000765322431 1302245580 /nfs/dbraw/zinc/24/55/80/1302245580.db2.gz FRQZYUGEZWZMSR-CRAIPNDOSA-N 2 2 326.488 3.370 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000765322431 1302245587 /nfs/dbraw/zinc/24/55/87/1302245587.db2.gz FRQZYUGEZWZMSR-CRAIPNDOSA-N 2 2 326.488 3.370 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000765675126 1302304475 /nfs/dbraw/zinc/30/44/75/1302304475.db2.gz GZMCUVRPZSZZNY-RXVVDRJESA-N 2 2 343.515 3.269 20 0 EGADLP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000765769713 1302321406 /nfs/dbraw/zinc/32/14/06/1302321406.db2.gz MHMHYXYWUOIISQ-UHFFFAOYSA-N 3 2 344.547 3.043 20 0 EGADLP Cc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765973834 1302361062 /nfs/dbraw/zinc/36/10/62/1302361062.db2.gz FZLFIVQKVVRBDI-HKUYNNGSSA-N 2 2 330.472 3.052 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275970 1302420014 /nfs/dbraw/zinc/42/00/14/1302420014.db2.gz ZPXZISBQPUJQSC-LSDHHAIUSA-N 2 2 330.476 3.105 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275970 1302420021 /nfs/dbraw/zinc/42/00/21/1302420021.db2.gz ZPXZISBQPUJQSC-LSDHHAIUSA-N 2 2 330.476 3.105 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387800 1302426487 /nfs/dbraw/zinc/42/64/87/1302426487.db2.gz FIECHEPXJOTDHY-JYJNAYRXSA-N 2 2 339.361 3.324 20 0 EGADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000884177751 1302764929 /nfs/dbraw/zinc/76/49/29/1302764929.db2.gz RVHPETMOWWRLFE-CQSZACIVSA-N 2 2 338.521 3.077 20 0 EGADLP CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000769865197 1303185466 /nfs/dbraw/zinc/18/54/66/1303185466.db2.gz AHCAGUMRUPLGJF-OAHLLOKOSA-N 2 2 343.471 3.228 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000772875522 1303588877 /nfs/dbraw/zinc/58/88/77/1303588877.db2.gz NLQWYBXARBQWTF-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000772875522 1303588883 /nfs/dbraw/zinc/58/88/83/1303588883.db2.gz NLQWYBXARBQWTF-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000886865356 1303619372 /nfs/dbraw/zinc/61/93/72/1303619372.db2.gz IETUAJIOXXSCPV-OAQYLSRUSA-N 2 2 337.467 3.244 20 0 EGADLP O=C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000886865356 1303619379 /nfs/dbraw/zinc/61/93/79/1303619379.db2.gz IETUAJIOXXSCPV-OAQYLSRUSA-N 2 2 337.467 3.244 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867941 1303619569 /nfs/dbraw/zinc/61/95/69/1303619569.db2.gz RIIUURRVBAQDDT-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867941 1303619575 /nfs/dbraw/zinc/61/95/75/1303619575.db2.gz RIIUURRVBAQDDT-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP CO[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000773085244 1303621238 /nfs/dbraw/zinc/62/12/38/1303621238.db2.gz WBGKMNPBITUUEV-XLIONFOSSA-N 2 2 331.504 3.269 20 0 EGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)[nH+]c1 ZINC000773138552 1303632334 /nfs/dbraw/zinc/63/23/34/1303632334.db2.gz MEIDPXROQFUKEL-BFYDXBDKSA-N 2 2 335.542 3.020 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)C1CCOCC1 ZINC000777097020 1304248925 /nfs/dbraw/zinc/24/89/25/1304248925.db2.gz RJYDUMKNLZBVCP-INIZCTEOSA-N 2 2 347.503 3.064 20 0 EGADLP C[C@H](CCO)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000779344661 1304559784 /nfs/dbraw/zinc/55/97/84/1304559784.db2.gz JORCUENVWAWUDC-QGZVFWFLSA-N 2 2 335.451 3.459 20 0 EGADLP COc1cccc2c(NC3CC[NH+](C[C@H]4CCCO4)CC3)cc[nH+]c12 ZINC000780524222 1304705802 /nfs/dbraw/zinc/70/58/02/1304705802.db2.gz FOTCXIWZGVBDCC-MRXNPFEDSA-N 2 2 341.455 3.299 20 0 EGADLP Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000891567512 1305092861 /nfs/dbraw/zinc/09/28/61/1305092861.db2.gz JVNXJZUJPHEIAP-ZWKOTPCHSA-N 2 2 342.487 3.434 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892668803 1305497254 /nfs/dbraw/zinc/49/72/54/1305497254.db2.gz NDGHPQOLVVEGEV-DYVFJYSZSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc[nH+]1 ZINC000892668803 1305497262 /nfs/dbraw/zinc/49/72/62/1305497262.db2.gz NDGHPQOLVVEGEV-DYVFJYSZSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH+]cn1 ZINC000892668803 1305497268 /nfs/dbraw/zinc/49/72/68/1305497268.db2.gz NDGHPQOLVVEGEV-DYVFJYSZSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH+]cn1 ZINC000892668803 1305497273 /nfs/dbraw/zinc/49/72/73/1305497273.db2.gz NDGHPQOLVVEGEV-DYVFJYSZSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892668805 1305497370 /nfs/dbraw/zinc/49/73/70/1305497370.db2.gz NDGHPQOLVVEGEV-SUMWQHHRSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc[nH+]1 ZINC000892668805 1305497377 /nfs/dbraw/zinc/49/73/77/1305497377.db2.gz NDGHPQOLVVEGEV-SUMWQHHRSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH+]cn1 ZINC000892668805 1305497385 /nfs/dbraw/zinc/49/73/85/1305497385.db2.gz NDGHPQOLVVEGEV-SUMWQHHRSA-N 2 2 331.489 3.099 20 0 EGADLP CN(C)c1cc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH+]cn1 ZINC000892668805 1305497392 /nfs/dbraw/zinc/49/73/92/1305497392.db2.gz NDGHPQOLVVEGEV-SUMWQHHRSA-N 2 2 331.489 3.099 20 0 EGADLP CCOC(CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OCC ZINC000786969074 1305670038 /nfs/dbraw/zinc/67/00/38/1305670038.db2.gz COXZZEKQZBVJDG-UHFFFAOYSA-N 2 2 349.519 3.100 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000893202846 1305760027 /nfs/dbraw/zinc/76/00/27/1305760027.db2.gz PDHHGVSXYAKLFY-OAHLLOKOSA-N 2 2 339.487 3.008 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CCC1 ZINC000788259583 1305909264 /nfs/dbraw/zinc/90/92/64/1305909264.db2.gz NDMVVTOZDTVWMH-JKSUJKDBSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@@H+](Cc1cnc(Cl)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000788480648 1305952735 /nfs/dbraw/zinc/95/27/35/1305952735.db2.gz CCMSGVGJBZJTJZ-UHFFFAOYSA-N 2 2 345.878 3.264 20 0 EGADLP CC[N@H+](Cc1cnc(Cl)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000788480648 1305952739 /nfs/dbraw/zinc/95/27/39/1305952739.db2.gz CCMSGVGJBZJTJZ-UHFFFAOYSA-N 2 2 345.878 3.264 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894058175 1306194678 /nfs/dbraw/zinc/19/46/78/1306194678.db2.gz RPOAKVZHXPHKPS-HNNXBMFYSA-N 2 2 326.431 3.494 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)F)C1 ZINC000894058175 1306194681 /nfs/dbraw/zinc/19/46/81/1306194681.db2.gz RPOAKVZHXPHKPS-HNNXBMFYSA-N 2 2 326.431 3.494 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000894080322 1306206491 /nfs/dbraw/zinc/20/64/91/1306206491.db2.gz LMUQMLJRXFGCNY-UHFFFAOYSA-N 2 2 326.444 3.355 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000790497150 1306339146 /nfs/dbraw/zinc/33/91/46/1306339146.db2.gz KXZAVYXRTROHMS-QLFBSQMISA-N 2 2 346.462 3.064 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000790497150 1306339156 /nfs/dbraw/zinc/33/91/56/1306339156.db2.gz KXZAVYXRTROHMS-QLFBSQMISA-N 2 2 346.462 3.064 20 0 EGADLP COc1c(C)c[nH+]c(CCCOC(=O)c2ccc3c[nH+]cn3c2)c1C ZINC000793191972 1309314145 /nfs/dbraw/zinc/31/41/45/1309314145.db2.gz UDPPSBQTYOFKSW-UHFFFAOYSA-N 2 2 339.395 3.144 20 0 EGADLP Cc1cccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000793202437 1309315707 /nfs/dbraw/zinc/31/57/07/1309315707.db2.gz JNGSRAGLUZNDHB-UHFFFAOYSA-N 2 2 338.499 3.257 20 0 EGADLP Cc1[nH+]cc2n1C[C@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)CC2 ZINC000896087894 1309693484 /nfs/dbraw/zinc/69/34/84/1309693484.db2.gz OSXHFDIUQLSWCU-OAHLLOKOSA-N 2 2 346.394 3.157 20 0 EGADLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1OC ZINC000896197325 1309739291 /nfs/dbraw/zinc/73/92/91/1309739291.db2.gz APTYKFPQRFIKTE-UHFFFAOYSA-N 2 2 327.428 3.175 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000796264092 1309946792 /nfs/dbraw/zinc/94/67/92/1309946792.db2.gz PZEXODHEWIHHJT-LLVKDONJSA-N 2 2 339.270 3.215 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000796264092 1309946797 /nfs/dbraw/zinc/94/67/97/1309946797.db2.gz PZEXODHEWIHHJT-LLVKDONJSA-N 2 2 339.270 3.215 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000796267799 1309948202 /nfs/dbraw/zinc/94/82/02/1309948202.db2.gz YZRCPFZQODHLBK-QWHCGFSZSA-N 2 2 339.270 3.358 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000796267799 1309948207 /nfs/dbraw/zinc/94/82/07/1309948207.db2.gz YZRCPFZQODHLBK-QWHCGFSZSA-N 2 2 339.270 3.358 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@@H](C)C1 ZINC000800493841 1310769984 /nfs/dbraw/zinc/76/99/84/1310769984.db2.gz BVZNNTBQIZQPQL-DOTOQJQBSA-N 2 2 339.911 3.270 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(Cl)n2)[C@@H](C)C1 ZINC000800493841 1310769986 /nfs/dbraw/zinc/76/99/86/1310769986.db2.gz BVZNNTBQIZQPQL-DOTOQJQBSA-N 2 2 339.911 3.270 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000801426503 1310935111 /nfs/dbraw/zinc/93/51/11/1310935111.db2.gz GFIBKKCHPLYXQI-UHFFFAOYSA-N 2 2 341.455 3.346 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019040140 1317018234 /nfs/dbraw/zinc/01/82/34/1317018234.db2.gz KVSMRGDKWVZBPB-RDJZCZTQSA-N 2 2 348.450 3.437 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNc3cccc[nH+]3)cc2)C1 ZINC000900242131 1317257818 /nfs/dbraw/zinc/25/78/18/1317257818.db2.gz KRLTVROTIGBSHQ-INIZCTEOSA-N 2 2 338.455 3.364 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNc3cccc[nH+]3)cc2)C1 ZINC000900242131 1317257825 /nfs/dbraw/zinc/25/78/25/1317257825.db2.gz KRLTVROTIGBSHQ-INIZCTEOSA-N 2 2 338.455 3.364 20 0 EGADLP CC(C)CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957541981 1317438336 /nfs/dbraw/zinc/43/83/36/1317438336.db2.gz NYZCHFVQCYBNFV-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC3(CC2)CC[NH+](C(C)C)CC3)c[nH+]1 ZINC000957565892 1317463335 /nfs/dbraw/zinc/46/33/35/1317463335.db2.gz DIDUWEANNDCZQB-UHFFFAOYSA-N 2 2 346.519 3.040 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902484253 1317582393 /nfs/dbraw/zinc/58/23/93/1317582393.db2.gz VCDWDBVXYAYZRD-PZJWPPBQSA-N 2 2 339.483 3.496 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902481611 1317582761 /nfs/dbraw/zinc/58/27/61/1317582761.db2.gz FNPZUEZHEVTWJB-YJBOKZPZSA-N 2 2 332.492 3.399 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000902481786 1317583200 /nfs/dbraw/zinc/58/32/00/1317583200.db2.gz HASTWPXDLMWUTC-DOTOQJQBSA-N 2 2 331.460 3.216 20 0 EGADLP CNc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000902529945 1317589243 /nfs/dbraw/zinc/58/92/43/1317589243.db2.gz ZAASYVRBULOXBB-HXUWFJFHSA-N 2 2 339.483 3.109 20 0 EGADLP CNc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000902529945 1317589249 /nfs/dbraw/zinc/58/92/49/1317589249.db2.gz ZAASYVRBULOXBB-HXUWFJFHSA-N 2 2 339.483 3.109 20 0 EGADLP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902891921 1317628212 /nfs/dbraw/zinc/62/82/12/1317628212.db2.gz XDRUVILCRCPOLZ-KXBFYZLASA-N 2 2 339.414 3.266 20 0 EGADLP C[C@@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(F)c1 ZINC000903307319 1317684927 /nfs/dbraw/zinc/68/49/27/1317684927.db2.gz CLNQLZGXQLYHRP-MRXNPFEDSA-N 2 2 348.384 3.040 20 0 EGADLP Clc1ccc(C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000903879457 1317740694 /nfs/dbraw/zinc/74/06/94/1317740694.db2.gz BHRPVRPZRVPLOC-QGZVFWFLSA-N 2 2 345.878 3.021 20 0 EGADLP Clc1ccc(C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000903879457 1317740701 /nfs/dbraw/zinc/74/07/01/1317740701.db2.gz BHRPVRPZRVPLOC-QGZVFWFLSA-N 2 2 345.878 3.021 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000904272400 1317821643 /nfs/dbraw/zinc/82/16/43/1317821643.db2.gz PXPFXBXAYYDQMG-UHFFFAOYSA-N 2 2 335.411 3.285 20 0 EGADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326401 1317831132 /nfs/dbraw/zinc/83/11/32/1317831132.db2.gz ITGODPMGKAJRHA-SFTDATJTSA-N 3 2 329.532 3.220 20 0 EGADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326401 1317831142 /nfs/dbraw/zinc/83/11/42/1317831142.db2.gz ITGODPMGKAJRHA-SFTDATJTSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326401 1317831147 /nfs/dbraw/zinc/83/11/47/1317831147.db2.gz ITGODPMGKAJRHA-SFTDATJTSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326401 1317831156 /nfs/dbraw/zinc/83/11/56/1317831156.db2.gz ITGODPMGKAJRHA-SFTDATJTSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC000958796096 1317850452 /nfs/dbraw/zinc/85/04/52/1317850452.db2.gz XMLCLSDRSVCXER-IBGZPJMESA-N 2 2 337.467 3.356 20 0 EGADLP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904558748 1317861796 /nfs/dbraw/zinc/86/17/96/1317861796.db2.gz VMSIEXHDUWBXRG-CZUORRHYSA-N 2 2 325.416 3.417 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)nc1 ZINC000810209071 1317976584 /nfs/dbraw/zinc/97/65/84/1317976584.db2.gz LIPXUMSZLUXRCJ-GFCCVEGCSA-N 2 2 349.276 3.270 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000906378619 1318089994 /nfs/dbraw/zinc/08/99/94/1318089994.db2.gz QJTATCSIGZBMKW-UHFFFAOYSA-N 2 2 325.456 3.389 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000906378619 1318090004 /nfs/dbraw/zinc/09/00/04/1318090004.db2.gz QJTATCSIGZBMKW-UHFFFAOYSA-N 2 2 325.456 3.389 20 0 EGADLP c1ncc(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)o1 ZINC000906523922 1318112380 /nfs/dbraw/zinc/11/23/80/1318112380.db2.gz AGBCIKCHSNITHO-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001021421275 1318241951 /nfs/dbraw/zinc/24/19/51/1318241951.db2.gz NHFZOTBXMWQHML-AYHJJNSGSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001021421275 1318241960 /nfs/dbraw/zinc/24/19/60/1318241960.db2.gz NHFZOTBXMWQHML-AYHJJNSGSA-N 2 2 344.503 3.034 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC000960150179 1318384232 /nfs/dbraw/zinc/38/42/32/1318384232.db2.gz QLFKYPTYIUWLAZ-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633719 1318488221 /nfs/dbraw/zinc/48/82/21/1318488221.db2.gz SNJCFILZTHXZTD-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001021633719 1318488228 /nfs/dbraw/zinc/48/82/28/1318488228.db2.gz SNJCFILZTHXZTD-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001022285055 1318876296 /nfs/dbraw/zinc/87/62/96/1318876296.db2.gz CEKOCVVWOWCVRX-JTDSTZFVSA-N 2 2 346.434 3.101 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144280 1318912412 /nfs/dbraw/zinc/91/24/12/1318912412.db2.gz XBZQLGUOIQJRKU-WYGOJCFESA-N 2 2 330.516 3.190 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144280 1318912420 /nfs/dbraw/zinc/91/24/20/1318912420.db2.gz XBZQLGUOIQJRKU-WYGOJCFESA-N 2 2 330.516 3.190 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144280 1318912425 /nfs/dbraw/zinc/91/24/25/1318912425.db2.gz XBZQLGUOIQJRKU-WYGOJCFESA-N 2 2 330.516 3.190 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000815144280 1318912435 /nfs/dbraw/zinc/91/24/35/1318912435.db2.gz XBZQLGUOIQJRKU-WYGOJCFESA-N 2 2 330.516 3.190 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001022691978 1319071179 /nfs/dbraw/zinc/07/11/79/1319071179.db2.gz DKRXBMLJTLHWGV-BBWFWOEESA-N 2 2 344.503 3.037 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001022775044 1319099918 /nfs/dbraw/zinc/09/99/18/1319099918.db2.gz GYCROVUSZRWDJK-UCUFBTAOSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1ccc2ccccc2c1 ZINC001022886989 1319150137 /nfs/dbraw/zinc/15/01/37/1319150137.db2.gz VTPHBCCCDJFQJL-ZMYBRWDISA-N 2 2 348.450 3.103 20 0 EGADLP CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214762 1319342386 /nfs/dbraw/zinc/34/23/86/1319342386.db2.gz TYXFBNYYUCMPOQ-MSOLQXFVSA-N 2 2 329.488 3.201 20 0 EGADLP CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214762 1319342395 /nfs/dbraw/zinc/34/23/95/1319342395.db2.gz TYXFBNYYUCMPOQ-MSOLQXFVSA-N 2 2 329.488 3.201 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2ccc(Cl)nc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817902394 1319457277 /nfs/dbraw/zinc/45/72/77/1319457277.db2.gz PFYVIMXRXMYBQP-HKUYNNGSSA-N 2 2 345.874 3.369 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000818174439 1319509501 /nfs/dbraw/zinc/50/95/01/1319509501.db2.gz UMVGOWRMFOBJLB-UHFFFAOYSA-N 2 2 338.467 3.329 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819182247 1319660603 /nfs/dbraw/zinc/66/06/03/1319660603.db2.gz AIGGMNDSZHFYAD-YWZLYKJASA-N 2 2 343.446 3.069 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000823518044 1320185032 /nfs/dbraw/zinc/18/50/32/1320185032.db2.gz KFNJZFBPTZRJDW-AEFFLSMTSA-N 2 2 347.503 3.207 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000823830905 1320209681 /nfs/dbraw/zinc/20/96/81/1320209681.db2.gz IYBVYEDKSFUZLG-OAGGEKHMSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000823830905 1320209685 /nfs/dbraw/zinc/20/96/85/1320209685.db2.gz IYBVYEDKSFUZLG-OAGGEKHMSA-N 2 2 339.524 3.094 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000839606906 1320944255 /nfs/dbraw/zinc/94/42/55/1320944255.db2.gz CQDNEZNYIVIWOV-SFHVURJKSA-N 2 2 330.472 3.198 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC(C)(C)OC1=O ZINC000839606906 1320944258 /nfs/dbraw/zinc/94/42/58/1320944258.db2.gz CQDNEZNYIVIWOV-SFHVURJKSA-N 2 2 330.472 3.198 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842687620 1321419790 /nfs/dbraw/zinc/41/97/90/1321419790.db2.gz SMOJCDVWNDTGNF-STQMWFEESA-N 2 2 346.700 3.460 20 0 EGADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048369 1321461097 /nfs/dbraw/zinc/46/10/97/1321461097.db2.gz NBJTXJYMGYVGCR-HNNXBMFYSA-N 2 2 332.879 3.232 20 0 EGADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048369 1321461104 /nfs/dbraw/zinc/46/11/04/1321461104.db2.gz NBJTXJYMGYVGCR-HNNXBMFYSA-N 2 2 332.879 3.232 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)CC[C@@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354470 1321505673 /nfs/dbraw/zinc/50/56/73/1321505673.db2.gz IMHBAIFHUDJAOH-QZTJIDSGSA-N 2 2 331.504 3.022 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@H+](C)CC[C@@H]([NH3+])C(C)C)C2=O)c(C)c1 ZINC000843354470 1321505676 /nfs/dbraw/zinc/50/56/76/1321505676.db2.gz IMHBAIFHUDJAOH-QZTJIDSGSA-N 2 2 331.504 3.022 20 0 EGADLP C[C@H](CC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554816 1321717677 /nfs/dbraw/zinc/71/76/77/1321717677.db2.gz NRNGMNDRHOVQHO-MJGOQNOKSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@H](CC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845554816 1321717678 /nfs/dbraw/zinc/71/76/78/1321717678.db2.gz NRNGMNDRHOVQHO-MJGOQNOKSA-N 2 2 341.455 3.432 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])NCc1ccc(C)cc1)c1ccco1 ZINC000849050784 1322059074 /nfs/dbraw/zinc/05/90/74/1322059074.db2.gz IGYLKIRJVYZLRP-DOTOQJQBSA-N 2 2 328.460 3.331 20 0 EGADLP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCCn2cc[nH+]c2)c1 ZINC000849069372 1322064929 /nfs/dbraw/zinc/06/49/29/1322064929.db2.gz DWMOGGOOZSSZCB-UHFFFAOYSA-N 2 2 345.447 3.097 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000850060780 1322189409 /nfs/dbraw/zinc/18/94/09/1322189409.db2.gz UGBUVIUEVQTQIE-RBUKOAKNSA-N 2 2 343.471 3.255 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492553 1322257360 /nfs/dbraw/zinc/25/73/60/1322257360.db2.gz DQZQRNBZJCXUNV-RBSFLKMASA-N 2 2 327.513 3.141 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492553 1322257367 /nfs/dbraw/zinc/25/73/67/1322257367.db2.gz DQZQRNBZJCXUNV-RBSFLKMASA-N 2 2 327.513 3.141 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822284 1322405377 /nfs/dbraw/zinc/40/53/77/1322405377.db2.gz RTRFPLDNUNNFHR-CVEARBPZSA-N 2 2 348.491 3.167 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921921251 1322423943 /nfs/dbraw/zinc/42/39/43/1322423943.db2.gz VKHKDCXYIFEUDV-INIZCTEOSA-N 2 2 339.487 3.318 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000922479565 1322537969 /nfs/dbraw/zinc/53/79/69/1322537969.db2.gz OVBGPSZRTGKJTL-WJDWOHSUSA-N 2 2 325.456 3.487 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC000923489738 1322760629 /nfs/dbraw/zinc/76/06/29/1322760629.db2.gz KLVYNLSYRIPSDK-NXEZZACHSA-N 2 2 333.220 3.144 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@@H]1C[NH3+] ZINC000923489738 1322760637 /nfs/dbraw/zinc/76/06/37/1322760637.db2.gz KLVYNLSYRIPSDK-NXEZZACHSA-N 2 2 333.220 3.144 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1cc(CO)on1 ZINC000924596942 1323068725 /nfs/dbraw/zinc/06/87/25/1323068725.db2.gz ATWRHEPQFHDVHN-INIZCTEOSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncco1 ZINC000924608418 1323073735 /nfs/dbraw/zinc/07/37/35/1323073735.db2.gz AYQAJCPXLUEKBR-OWCLPIDISA-N 2 2 329.444 3.135 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncco1 ZINC000924608418 1323073741 /nfs/dbraw/zinc/07/37/41/1323073741.db2.gz AYQAJCPXLUEKBR-OWCLPIDISA-N 2 2 329.444 3.135 20 0 EGADLP CC(=O)Oc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000852115243 1323150021 /nfs/dbraw/zinc/15/00/21/1323150021.db2.gz DBFIKKNVRDAYDK-UHFFFAOYSA-N 2 2 338.451 3.366 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c2ncnn21 ZINC000924860045 1323190113 /nfs/dbraw/zinc/19/01/13/1323190113.db2.gz IEDXUIHECHGCJZ-QFBILLFUSA-N 2 2 339.487 3.450 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCN3CCCC[C@@H]13)C2 ZINC000924890868 1323202697 /nfs/dbraw/zinc/20/26/97/1323202697.db2.gz WVRATANYFBYYAC-ULQDDVLXSA-N 2 2 330.520 3.102 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(-n2cnnc2)c1 ZINC000924925997 1323215801 /nfs/dbraw/zinc/21/58/01/1323215801.db2.gz IIVUXVZTLMDJSX-INIZCTEOSA-N 2 2 336.443 3.205 20 0 EGADLP COc1ccnc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000925177738 1325072387 /nfs/dbraw/zinc/07/23/87/1325072387.db2.gz FEQPBPJATUNXNR-KXBFYZLASA-N 2 2 336.439 3.458 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CC[C@@H]([NH2+]3)[C@H]2C)CC1 ZINC000925506097 1325182440 /nfs/dbraw/zinc/18/24/40/1325182440.db2.gz XMGQDKJIHXVWQH-XJGBBZTQSA-N 3 2 327.516 3.331 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387975 1325188554 /nfs/dbraw/zinc/18/85/54/1325188554.db2.gz XKSNCNFSVYKBAD-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387975 1325188559 /nfs/dbraw/zinc/18/85/59/1325188559.db2.gz XKSNCNFSVYKBAD-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP c1ccc(COCc2cccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c2)cc1 ZINC000925546850 1325201496 /nfs/dbraw/zinc/20/14/96/1325201496.db2.gz QKZLSSPJNJIUMU-JFDBCFPISA-N 2 2 348.490 3.489 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC(C)C)C1 ZINC000963408542 1325210458 /nfs/dbraw/zinc/21/04/58/1325210458.db2.gz VCFLSSFGZYKWEN-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC000963408542 1325210467 /nfs/dbraw/zinc/21/04/67/1325210467.db2.gz VCFLSSFGZYKWEN-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[NH2+]2)cc1 ZINC000925761873 1325289711 /nfs/dbraw/zinc/28/97/11/1325289711.db2.gz DSSSLBFBIUGDCZ-PXNSSMCTSA-N 2 2 345.450 3.122 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000925769180 1325291561 /nfs/dbraw/zinc/29/15/61/1325291561.db2.gz BHTBJCNXCPZGLR-UZLBHIALSA-N 3 2 335.455 3.137 20 0 EGADLP Cc1cc([C@@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C2CC2)ccc1F ZINC000925796305 1325305601 /nfs/dbraw/zinc/30/56/01/1325305601.db2.gz LTDDRQAQTQQVPG-HKUYNNGSSA-N 2 2 332.463 3.334 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc21 ZINC000857076163 1325569489 /nfs/dbraw/zinc/56/94/89/1325569489.db2.gz PMQNYTCFALFTOM-PKOBYXMFSA-N 2 2 340.471 3.385 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000926715876 1327681371 /nfs/dbraw/zinc/68/13/71/1327681371.db2.gz ZMQUQBJHSDOUSD-GUXCAODWSA-N 2 2 349.494 3.101 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927021166 1327824094 /nfs/dbraw/zinc/82/40/94/1327824094.db2.gz WMRANIICUKOOBF-RLLQIKCJSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927021166 1327824100 /nfs/dbraw/zinc/82/41/00/1327824100.db2.gz WMRANIICUKOOBF-RLLQIKCJSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598913 1327949819 /nfs/dbraw/zinc/94/98/19/1327949819.db2.gz VSPUARIKIXEJCB-WBVHZDCISA-N 2 2 346.500 3.019 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598913 1327949845 /nfs/dbraw/zinc/94/98/45/1327949845.db2.gz VSPUARIKIXEJCB-WBVHZDCISA-N 2 2 346.500 3.019 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802452 1329841772 /nfs/dbraw/zinc/84/17/72/1329841772.db2.gz UMXKKPRSSFLEMK-HZPDHXFCSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802452 1329841774 /nfs/dbraw/zinc/84/17/74/1329841774.db2.gz UMXKKPRSSFLEMK-HZPDHXFCSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802453 1329841881 /nfs/dbraw/zinc/84/18/81/1329841881.db2.gz UMXKKPRSSFLEMK-JKSUJKDBSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802453 1329841883 /nfs/dbraw/zinc/84/18/83/1329841883.db2.gz UMXKKPRSSFLEMK-JKSUJKDBSA-N 2 2 340.471 3.290 20 0 EGADLP CCC[N@H+](CCc1ccnn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186230 1329953363 /nfs/dbraw/zinc/95/33/63/1329953363.db2.gz RVYVHBOBQIBIEU-UHFFFAOYSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[N@@H+](CCc1ccnn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186230 1329953364 /nfs/dbraw/zinc/95/33/64/1329953364.db2.gz RVYVHBOBQIBIEU-UHFFFAOYSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[N@H+](C[C@@H](O)CSC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188101 1329953457 /nfs/dbraw/zinc/95/34/57/1329953457.db2.gz JKRIIUJWDZPGOP-LJQANCHMSA-N 2 2 336.545 3.087 20 0 EGADLP CCC[N@@H+](C[C@@H](O)CSC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188101 1329953459 /nfs/dbraw/zinc/95/34/59/1329953459.db2.gz JKRIIUJWDZPGOP-LJQANCHMSA-N 2 2 336.545 3.087 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC1(C)OCCO1 ZINC000866425229 1330110064 /nfs/dbraw/zinc/11/00/64/1330110064.db2.gz SNRISKDAUZHQEJ-CVEARBPZSA-N 2 2 329.444 3.312 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC000942180750 1331864584 /nfs/dbraw/zinc/86/45/84/1331864584.db2.gz JGPAWAZANHDCSC-NVXWUHKLSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC000942180750 1331864591 /nfs/dbraw/zinc/86/45/91/1331864591.db2.gz JGPAWAZANHDCSC-NVXWUHKLSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCC2)C[C@@H]1C ZINC000944445662 1332412977 /nfs/dbraw/zinc/41/29/77/1332412977.db2.gz QIMCCOCMDZHRBI-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C[C@@H]1C ZINC000944445662 1332412978 /nfs/dbraw/zinc/41/29/78/1332412978.db2.gz QIMCCOCMDZHRBI-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]3CC2)c(C)[nH+]1 ZINC000946687937 1332877556 /nfs/dbraw/zinc/87/75/56/1332877556.db2.gz BUGOVJFBGVGFDZ-KDURUIRLSA-N 2 2 341.499 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@H+](CC4CC4)C[C@H]3CC2)c(C)[nH+]1 ZINC000946687937 1332877560 /nfs/dbraw/zinc/87/75/60/1332877560.db2.gz BUGOVJFBGVGFDZ-KDURUIRLSA-N 2 2 341.499 3.201 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540561 1333163961 /nfs/dbraw/zinc/16/39/61/1333163961.db2.gz VMSWZBWPDMMBDG-NVXWUHKLSA-N 2 2 342.487 3.353 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC000947540561 1333163964 /nfs/dbraw/zinc/16/39/64/1333163964.db2.gz VMSWZBWPDMMBDG-NVXWUHKLSA-N 2 2 342.487 3.353 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@@H+](CCC(C)C)CC2)c[nH+]1 ZINC000948474603 1333539964 /nfs/dbraw/zinc/53/99/64/1333539964.db2.gz XFAYVUOTPZBXGO-GOSISDBHSA-N 2 2 348.535 3.286 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@H+](CCC(C)C)CC2)c[nH+]1 ZINC000948474603 1333539966 /nfs/dbraw/zinc/53/99/66/1333539966.db2.gz XFAYVUOTPZBXGO-GOSISDBHSA-N 2 2 348.535 3.286 20 0 EGADLP C[C@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554384 1333573223 /nfs/dbraw/zinc/57/32/23/1333573223.db2.gz VCXAMXUXDTZNQB-HOCLYGCPSA-N 2 2 346.450 3.238 20 0 EGADLP C[C@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554384 1333573225 /nfs/dbraw/zinc/57/32/25/1333573225.db2.gz VCXAMXUXDTZNQB-HOCLYGCPSA-N 2 2 346.450 3.238 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948656030 1333614837 /nfs/dbraw/zinc/61/48/37/1333614837.db2.gz RORUUQXHTGSNBI-GOSISDBHSA-N 2 2 340.471 3.207 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000948656030 1333614841 /nfs/dbraw/zinc/61/48/41/1333614841.db2.gz RORUUQXHTGSNBI-GOSISDBHSA-N 2 2 340.471 3.207 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC000969318193 1336199611 /nfs/dbraw/zinc/19/96/11/1336199611.db2.gz QVUMTPYRXPFPNU-MSOLQXFVSA-N 2 2 348.450 3.290 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCc4ccccc43)C2)c(C)[nH+]1 ZINC000969408674 1336207632 /nfs/dbraw/zinc/20/76/32/1336207632.db2.gz RSLTWSNXPQMFLC-UYAOXDASSA-N 2 2 349.478 3.498 20 0 EGADLP Cc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC000969973340 1336268170 /nfs/dbraw/zinc/26/81/70/1336268170.db2.gz LWSNEMXMNCICNS-HNNXBMFYSA-N 2 2 348.450 3.122 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC000970127107 1336282688 /nfs/dbraw/zinc/28/26/88/1336282688.db2.gz HSUQSPGXXMSGAN-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CCCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941805 1337961007 /nfs/dbraw/zinc/96/10/07/1337961007.db2.gz QEPFSUGOJHZPRK-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CCCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941805 1337961010 /nfs/dbraw/zinc/96/10/10/1337961010.db2.gz QEPFSUGOJHZPRK-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001029111830 1340932584 /nfs/dbraw/zinc/93/25/84/1340932584.db2.gz PCJFZRGQNYFAJT-CQSZACIVSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001029768649 1341067822 /nfs/dbraw/zinc/06/78/22/1341067822.db2.gz GLTWGQYGPJLLHA-PCKAHOCUSA-N 2 2 340.471 3.003 20 0 EGADLP CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001029768649 1341067823 /nfs/dbraw/zinc/06/78/23/1341067823.db2.gz GLTWGQYGPJLLHA-PCKAHOCUSA-N 2 2 340.471 3.003 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032473927 1341517749 /nfs/dbraw/zinc/51/77/49/1341517749.db2.gz HYQJFXDAYGHAJJ-XFKAJCMBSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032473927 1341517751 /nfs/dbraw/zinc/51/77/51/1341517751.db2.gz HYQJFXDAYGHAJJ-XFKAJCMBSA-N 2 2 349.906 3.026 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033874042 1342053157 /nfs/dbraw/zinc/05/31/57/1342053157.db2.gz UMQWSBBTSHIMMV-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033874042 1342053159 /nfs/dbraw/zinc/05/31/59/1342053159.db2.gz UMQWSBBTSHIMMV-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001036442775 1343490381 /nfs/dbraw/zinc/49/03/81/1343490381.db2.gz QHSMLXSPEVZLHP-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP O=C(N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037209504 1344044393 /nfs/dbraw/zinc/04/43/93/1344044393.db2.gz CCPSXGUWTANKCB-RDJZCZTQSA-N 2 2 340.471 3.241 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037852368 1344138678 /nfs/dbraw/zinc/13/86/78/1344138678.db2.gz LEJQPCZNOKPAIE-MJGOQNOKSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037852368 1344138681 /nfs/dbraw/zinc/13/86/81/1344138681.db2.gz LEJQPCZNOKPAIE-MJGOQNOKSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418699 1344420164 /nfs/dbraw/zinc/42/01/64/1344420164.db2.gz YTPUNFPYULHUGC-RDJZCZTQSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418699 1344420166 /nfs/dbraw/zinc/42/01/66/1344420166.db2.gz YTPUNFPYULHUGC-RDJZCZTQSA-N 2 2 348.450 3.437 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220452 1344938313 /nfs/dbraw/zinc/93/83/13/1344938313.db2.gz ACCSUJVIZAGGEV-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220452 1344938316 /nfs/dbraw/zinc/93/83/16/1344938316.db2.gz ACCSUJVIZAGGEV-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253274 1344985057 /nfs/dbraw/zinc/98/50/57/1344985057.db2.gz CAWNQLXIIXQMRQ-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253274 1344985058 /nfs/dbraw/zinc/98/50/58/1344985058.db2.gz CAWNQLXIIXQMRQ-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044677338 1346401325 /nfs/dbraw/zinc/40/13/25/1346401325.db2.gz LKNSKKUOBXHJHG-AEFFLSMTSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044692691 1346404829 /nfs/dbraw/zinc/40/48/29/1346404829.db2.gz IPWWEXZAIOCMMI-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001045091159 1346493058 /nfs/dbraw/zinc/49/30/58/1346493058.db2.gz BKFSRXKHJMJBBH-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001045553261 1346628345 /nfs/dbraw/zinc/62/83/45/1346628345.db2.gz LEVXKNUJRRMMCR-INIZCTEOSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987454 1346829416 /nfs/dbraw/zinc/82/94/16/1346829416.db2.gz RROACHLSNPFRGD-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045987454 1346829418 /nfs/dbraw/zinc/82/94/18/1346829418.db2.gz RROACHLSNPFRGD-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001046413732 1346967103 /nfs/dbraw/zinc/96/71/03/1346967103.db2.gz APRWMYRIYOGSTP-NRFANRHFSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001046413732 1346967105 /nfs/dbraw/zinc/96/71/05/1346967105.db2.gz APRWMYRIYOGSTP-NRFANRHFSA-N 2 2 348.450 3.266 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739555 1347077568 /nfs/dbraw/zinc/07/75/68/1347077568.db2.gz PNTRFJFKXRVCNP-HXUWFJFHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739555 1347077572 /nfs/dbraw/zinc/07/75/72/1347077572.db2.gz PNTRFJFKXRVCNP-HXUWFJFHSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]([NH2+]CC1CC1)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001050265008 1348222724 /nfs/dbraw/zinc/22/27/24/1348222724.db2.gz IXSJFBJRNHMKQK-HNNXBMFYSA-N 2 2 348.450 3.325 20 0 EGADLP C[C@@H](CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2)n1cc[nH+]c1 ZINC001050684439 1348326454 /nfs/dbraw/zinc/32/64/54/1348326454.db2.gz LHPABIDZQLSWGO-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)[N@@H+]1CCc2c(CNC(=O)c3cccc4[nH+]ccn43)cccc2C1 ZINC001051293581 1348422797 /nfs/dbraw/zinc/42/27/97/1348422797.db2.gz SITOBQVOFILPPY-UHFFFAOYSA-N 2 2 348.450 3.031 20 0 EGADLP CC(C)[N@H+]1CCc2c(CNC(=O)c3cccc4[nH+]ccn43)cccc2C1 ZINC001051293581 1348422799 /nfs/dbraw/zinc/42/27/99/1348422799.db2.gz SITOBQVOFILPPY-UHFFFAOYSA-N 2 2 348.450 3.031 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@@H+](CCC(C)C)CC3)ccn12 ZINC001052378502 1348535927 /nfs/dbraw/zinc/53/59/27/1348535927.db2.gz IMYJPACXRRBDST-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@H+](CCC(C)C)CC3)ccn12 ZINC001052378502 1348535929 /nfs/dbraw/zinc/53/59/29/1348535929.db2.gz IMYJPACXRRBDST-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053051938 1348855989 /nfs/dbraw/zinc/85/59/89/1348855989.db2.gz RIKUUSQAOGXPTI-DLBZAZTESA-N 2 2 346.519 3.048 20 0 EGADLP CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053051938 1348855992 /nfs/dbraw/zinc/85/59/92/1348855992.db2.gz RIKUUSQAOGXPTI-DLBZAZTESA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053052540 1348857748 /nfs/dbraw/zinc/85/77/48/1348857748.db2.gz WBVNSBKQGXPGMD-QZTJIDSGSA-N 2 2 346.519 3.011 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001053052540 1348857756 /nfs/dbraw/zinc/85/77/56/1348857756.db2.gz WBVNSBKQGXPGMD-QZTJIDSGSA-N 2 2 346.519 3.011 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092503 1348919477 /nfs/dbraw/zinc/91/94/77/1348919477.db2.gz HFGVQRFPHAAITM-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092503 1348919480 /nfs/dbraw/zinc/91/94/80/1348919480.db2.gz HFGVQRFPHAAITM-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001053093055 1348920843 /nfs/dbraw/zinc/92/08/43/1348920843.db2.gz UUYCLDKZKMTSRU-KXBFYZLASA-N 2 2 340.471 3.290 20 0 EGADLP CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001053093055 1348920851 /nfs/dbraw/zinc/92/08/51/1348920851.db2.gz UUYCLDKZKMTSRU-KXBFYZLASA-N 2 2 340.471 3.290 20 0 EGADLP Cc1cccc(C[NH2+]C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)c1 ZINC001323022560 1387268397 /nfs/dbraw/zinc/26/83/97/1387268397.db2.gz PEWJLZYZIMDBCY-HXUWFJFHSA-N 2 2 348.450 3.170 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183176469 1387271956 /nfs/dbraw/zinc/27/19/56/1387271956.db2.gz OMCFQGLVLWIVNE-FOIQADDNSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107144 1363626115 /nfs/dbraw/zinc/62/61/15/1363626115.db2.gz VWRDFHOQPAYVAC-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107144 1363626118 /nfs/dbraw/zinc/62/61/18/1363626118.db2.gz VWRDFHOQPAYVAC-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107144 1363626122 /nfs/dbraw/zinc/62/61/22/1363626122.db2.gz VWRDFHOQPAYVAC-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107144 1363626126 /nfs/dbraw/zinc/62/61/26/1363626126.db2.gz VWRDFHOQPAYVAC-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(C)C)c[nH+]1 ZINC001099120527 1363635060 /nfs/dbraw/zinc/63/50/60/1363635060.db2.gz CFUZBWWREJXGIQ-QGZVFWFLSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(C)C)c[nH+]1 ZINC001099120527 1363635064 /nfs/dbraw/zinc/63/50/64/1363635064.db2.gz CFUZBWWREJXGIQ-QGZVFWFLSA-N 2 2 348.535 3.189 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120422 1363635223 /nfs/dbraw/zinc/63/52/23/1363635223.db2.gz BCYAAVQVWLYYHF-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001099120422 1363635225 /nfs/dbraw/zinc/63/52/25/1363635225.db2.gz BCYAAVQVWLYYHF-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360127 1363772660 /nfs/dbraw/zinc/77/26/60/1363772660.db2.gz VXDKGGGXOXVWNX-ROUUACIJSA-N 2 2 348.535 3.172 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099360127 1363772664 /nfs/dbraw/zinc/77/26/64/1363772664.db2.gz VXDKGGGXOXVWNX-ROUUACIJSA-N 2 2 348.535 3.172 20 0 EGADLP CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1c1ccccc1 ZINC001081150759 1357845562 /nfs/dbraw/zinc/84/55/62/1357845562.db2.gz AMQOTPHJRURDNN-RBUKOAKNSA-N 2 2 337.467 3.225 20 0 EGADLP CC1(C)CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001085345932 1358474056 /nfs/dbraw/zinc/47/40/56/1358474056.db2.gz XYGFOINBEBJARK-QZTJIDSGSA-N 2 2 346.519 3.186 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087676113 1359584551 /nfs/dbraw/zinc/58/45/51/1359584551.db2.gz WDJWCPPEGYQLGT-RBUKOAKNSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001087676113 1359584553 /nfs/dbraw/zinc/58/45/53/1359584553.db2.gz WDJWCPPEGYQLGT-RBUKOAKNSA-N 2 2 340.471 3.255 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184272444 1387421768 /nfs/dbraw/zinc/42/17/68/1387421768.db2.gz FYDYKCPZQWIMJZ-VGRIIWOTSA-N 2 2 346.519 3.163 20 0 EGADLP CC1CCC(C[NH2+][C@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001088404923 1359877215 /nfs/dbraw/zinc/87/72/15/1359877215.db2.gz KGTRKYOQQAXNLI-ABHNRTSZSA-N 2 2 346.519 3.139 20 0 EGADLP COC(=O)c1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC001323742389 1387438812 /nfs/dbraw/zinc/43/88/12/1387438812.db2.gz YLMLLBHRUZVKDK-UHFFFAOYSA-N 2 2 335.407 3.008 20 0 EGADLP CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC(C)(C)C1 ZINC001089533465 1360493821 /nfs/dbraw/zinc/49/38/21/1360493821.db2.gz FWAVWVDXXXGCRE-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC(C)(C)C1 ZINC001089533465 1360493825 /nfs/dbraw/zinc/49/38/25/1360493825.db2.gz FWAVWVDXXXGCRE-KRWDZBQOSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184654395 1387504510 /nfs/dbraw/zinc/50/45/10/1387504510.db2.gz WCQBZLPSPSPWPD-HOTGVXAUSA-N 2 2 342.487 3.297 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184654399 1387504617 /nfs/dbraw/zinc/50/46/17/1387504617.db2.gz WCQBZLPSPSPWPD-JKSUJKDBSA-N 2 2 342.487 3.297 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092729145 1361448903 /nfs/dbraw/zinc/44/89/03/1361448903.db2.gz XOUQGEZIQQSUIH-RHSMWYFYSA-N 2 2 342.487 3.297 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001092729145 1361448907 /nfs/dbraw/zinc/44/89/07/1361448907.db2.gz XOUQGEZIQQSUIH-RHSMWYFYSA-N 2 2 342.487 3.297 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCCF)[C@H](C)C2)c(C)[nH+]1 ZINC001184851059 1387549062 /nfs/dbraw/zinc/54/90/62/1387549062.db2.gz JIJUYARFAIJGJJ-RHSMWYFYSA-N 2 2 335.467 3.054 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148702 1363655977 /nfs/dbraw/zinc/65/59/77/1363655977.db2.gz HJYLZGFBPONGSF-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148702 1363655979 /nfs/dbraw/zinc/65/59/79/1363655979.db2.gz HJYLZGFBPONGSF-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCn2cc[nH+]c2)[N@H+](CC2CCCC2)C1 ZINC001099159283 1363662435 /nfs/dbraw/zinc/66/24/35/1363662435.db2.gz PQTXAKDDQLPRAX-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCn2cc[nH+]c2)[N@@H+](CC2CCCC2)C1 ZINC001099159283 1363662440 /nfs/dbraw/zinc/66/24/40/1363662440.db2.gz PQTXAKDDQLPRAX-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264582 1363722860 /nfs/dbraw/zinc/72/28/60/1363722860.db2.gz VOSPCVIIYUQJOC-SJLPKXTDSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264582 1363722861 /nfs/dbraw/zinc/72/28/61/1363722861.db2.gz VOSPCVIIYUQJOC-SJLPKXTDSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264582 1363722866 /nfs/dbraw/zinc/72/28/66/1363722866.db2.gz VOSPCVIIYUQJOC-SJLPKXTDSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264582 1363722869 /nfs/dbraw/zinc/72/28/69/1363722869.db2.gz VOSPCVIIYUQJOC-SJLPKXTDSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)CC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100429005 1364110391 /nfs/dbraw/zinc/11/03/91/1364110391.db2.gz WWUCCGCYBRXJCA-DAWZGUTISA-N 2 2 334.508 3.001 20 0 EGADLP C[C@H](CC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001100714997 1364232853 /nfs/dbraw/zinc/23/28/53/1364232853.db2.gz AUPUOKVTYJWQOF-IPJUCJBFSA-N 2 2 346.519 3.289 20 0 EGADLP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001101574014 1364628102 /nfs/dbraw/zinc/62/81/02/1364628102.db2.gz NLESBGXFWNSEKY-INIZCTEOSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925395 1365295308 /nfs/dbraw/zinc/29/53/08/1365295308.db2.gz UEEWOKJXJDWOOH-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001102925395 1365295310 /nfs/dbraw/zinc/29/53/10/1365295310.db2.gz UEEWOKJXJDWOOH-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479341 1365587348 /nfs/dbraw/zinc/58/73/48/1365587348.db2.gz LMIQFYNBHRXUJI-CEXWTWQISA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001103479341 1365587351 /nfs/dbraw/zinc/58/73/51/1365587351.db2.gz LMIQFYNBHRXUJI-CEXWTWQISA-N 2 2 348.535 3.345 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103677069 1365722733 /nfs/dbraw/zinc/72/27/33/1365722733.db2.gz ITYZVNBZORVVCY-NVXWUHKLSA-N 2 2 348.535 3.161 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001103677069 1365722734 /nfs/dbraw/zinc/72/27/34/1365722734.db2.gz ITYZVNBZORVVCY-NVXWUHKLSA-N 2 2 348.535 3.161 20 0 EGADLP CCCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104436006 1366028208 /nfs/dbraw/zinc/02/82/08/1366028208.db2.gz SNWJWUJYGXJZNS-CRAIPNDOSA-N 2 2 331.504 3.495 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468896 1366040895 /nfs/dbraw/zinc/04/08/95/1366040895.db2.gz UTPVYJJVHLFQEN-GUDVDZBRSA-N 2 2 348.535 3.030 20 0 EGADLP COc1c(C)cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1C ZINC001324860613 1387795381 /nfs/dbraw/zinc/79/53/81/1387795381.db2.gz XKVAZEKMIYTSPE-UHFFFAOYSA-N 2 2 336.395 3.453 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567918 1366535743 /nfs/dbraw/zinc/53/57/43/1366535743.db2.gz AONXBZPZVPTTFM-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567918 1366535748 /nfs/dbraw/zinc/53/57/48/1366535748.db2.gz AONXBZPZVPTTFM-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449447 1366967499 /nfs/dbraw/zinc/96/74/99/1366967499.db2.gz JMTYYVJWMHARGR-YLJYHZDGSA-N 2 2 346.519 3.088 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)CCC[C@@H]12 ZINC001107449447 1366967500 /nfs/dbraw/zinc/96/75/00/1366967500.db2.gz JMTYYVJWMHARGR-YLJYHZDGSA-N 2 2 346.519 3.088 20 0 EGADLP C[C@@H](CNC(=O)c1ccccc1-n1cc[nH+]c1)CC(C)(C)CC[NH3+] ZINC001190115382 1367176861 /nfs/dbraw/zinc/17/68/61/1367176861.db2.gz XIRCIXSECJHFCD-OAHLLOKOSA-N 2 2 328.460 3.003 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108736283 1367566360 /nfs/dbraw/zinc/56/63/60/1367566360.db2.gz XEUSONDYCJDRIF-KSZLIROESA-N 2 2 346.519 3.069 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110511126 1367794431 /nfs/dbraw/zinc/79/44/31/1367794431.db2.gz RQDARHWVOOPYED-KURKYZTESA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110511126 1367794434 /nfs/dbraw/zinc/79/44/34/1367794434.db2.gz RQDARHWVOOPYED-KURKYZTESA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110642587 1367886563 /nfs/dbraw/zinc/88/65/63/1367886563.db2.gz AFRCAHBQEZZGFO-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110642587 1367886569 /nfs/dbraw/zinc/88/65/69/1367886569.db2.gz AFRCAHBQEZZGFO-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001110642587 1367886574 /nfs/dbraw/zinc/88/65/74/1367886574.db2.gz AFRCAHBQEZZGFO-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001110642587 1367886576 /nfs/dbraw/zinc/88/65/76/1367886576.db2.gz AFRCAHBQEZZGFO-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@]1(C)CC1(Cl)Cl ZINC001325166025 1387908751 /nfs/dbraw/zinc/90/87/51/1387908751.db2.gz MDQRWIPHHSNKPU-CQSZACIVSA-N 2 2 339.226 3.488 20 0 EGADLP CC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731876 1368432781 /nfs/dbraw/zinc/43/27/81/1368432781.db2.gz QWZDKZCHUOIHBP-JXFKEZNVSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731876 1368432783 /nfs/dbraw/zinc/43/27/83/1368432783.db2.gz QWZDKZCHUOIHBP-JXFKEZNVSA-N 2 2 346.519 3.139 20 0 EGADLP COc1c(C)c[nH+]c(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1C ZINC001196553650 1368637195 /nfs/dbraw/zinc/63/71/95/1368637195.db2.gz DLVCCPXYJSEHTN-OALUTQOASA-N 2 2 337.467 3.166 20 0 EGADLP COc1c(C)c[nH+]c(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1C ZINC001196553650 1368637199 /nfs/dbraw/zinc/63/71/99/1368637199.db2.gz DLVCCPXYJSEHTN-OALUTQOASA-N 2 2 337.467 3.166 20 0 EGADLP C[C@H]([NH2+]CCC1CCCCCC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001325448281 1387975639 /nfs/dbraw/zinc/97/56/39/1387975639.db2.gz HAIUMTUSUHRRKO-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](C[C@@H](C)CC(C)C)CC3)ccn12 ZINC001112853597 1369048322 /nfs/dbraw/zinc/04/83/22/1369048322.db2.gz FMWGQCCVRDZGCB-INIZCTEOSA-N 2 2 342.487 3.083 20 0 EGADLP CC(C)CCC[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001113488350 1369463094 /nfs/dbraw/zinc/46/30/94/1369463094.db2.gz FWLZEYYKZMUUAX-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP CC[C@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520729 1369564775 /nfs/dbraw/zinc/56/47/75/1369564775.db2.gz LZNNCQHEDNRLAN-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@H](C)C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520729 1369564779 /nfs/dbraw/zinc/56/47/79/1369564779.db2.gz LZNNCQHEDNRLAN-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201589037 1369583662 /nfs/dbraw/zinc/58/36/62/1369583662.db2.gz UGRMSHIBENUTOZ-INIZCTEOSA-N 2 2 342.487 3.211 20 0 EGADLP Cc1cncc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)n1 ZINC001203170497 1370008727 /nfs/dbraw/zinc/00/87/27/1370008727.db2.gz KTHKQFCLZDXIDE-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1cncc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)n1 ZINC001203170497 1370008732 /nfs/dbraw/zinc/00/87/32/1370008732.db2.gz KTHKQFCLZDXIDE-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1cncc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n1 ZINC001203170497 1370008736 /nfs/dbraw/zinc/00/87/36/1370008736.db2.gz KTHKQFCLZDXIDE-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1cncc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n1 ZINC001203170497 1370008740 /nfs/dbraw/zinc/00/87/40/1370008740.db2.gz KTHKQFCLZDXIDE-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP CC[NH+](CC)CCn1cc(Nc2ccc[nH+]c2N2CCCCC2)cn1 ZINC001203253837 1370042245 /nfs/dbraw/zinc/04/22/45/1370042245.db2.gz WVUAMIKVVVAEAF-UHFFFAOYSA-N 2 2 342.491 3.354 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203820116 1370276998 /nfs/dbraw/zinc/27/69/98/1370276998.db2.gz DKSIUUIROKWDGL-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203820116 1370277001 /nfs/dbraw/zinc/27/70/01/1370277001.db2.gz DKSIUUIROKWDGL-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203820116 1370277008 /nfs/dbraw/zinc/27/70/08/1370277008.db2.gz DKSIUUIROKWDGL-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP COc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203820116 1370277013 /nfs/dbraw/zinc/27/70/13/1370277013.db2.gz DKSIUUIROKWDGL-FQEVSTJZSA-N 2 2 332.488 3.018 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC001203883044 1370298452 /nfs/dbraw/zinc/29/84/52/1370298452.db2.gz BLZCVJBNUQCZNP-UHFFFAOYSA-N 2 2 341.377 3.335 20 0 EGADLP CSc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001204139232 1370387390 /nfs/dbraw/zinc/38/73/90/1370387390.db2.gz GMWUVLQFHHKYTH-QZTJIDSGSA-N 2 2 339.508 3.367 20 0 EGADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001204162485 1370394670 /nfs/dbraw/zinc/39/46/70/1370394670.db2.gz NXAIDVKVASOAPO-UHFFFAOYSA-N 2 2 346.393 3.022 20 0 EGADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001204162485 1370394675 /nfs/dbraw/zinc/39/46/75/1370394675.db2.gz NXAIDVKVASOAPO-UHFFFAOYSA-N 2 2 346.393 3.022 20 0 EGADLP Fc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001204209849 1370409211 /nfs/dbraw/zinc/40/92/11/1370409211.db2.gz WNBSMZNTUSTOFY-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001204209849 1370409212 /nfs/dbraw/zinc/40/92/12/1370409212.db2.gz WNBSMZNTUSTOFY-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001204209849 1370409213 /nfs/dbraw/zinc/40/92/13/1370409213.db2.gz WNBSMZNTUSTOFY-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(F)c1 ZINC001204209849 1370409214 /nfs/dbraw/zinc/40/92/14/1370409214.db2.gz WNBSMZNTUSTOFY-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001204254467 1370423952 /nfs/dbraw/zinc/42/39/52/1370423952.db2.gz ZJPOTVWDHXLZGJ-HNNXBMFYSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cccc(OC)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001204254467 1370423956 /nfs/dbraw/zinc/42/39/56/1370423956.db2.gz ZJPOTVWDHXLZGJ-HNNXBMFYSA-N 2 2 328.412 3.061 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510355 1370509378 /nfs/dbraw/zinc/50/93/78/1370509378.db2.gz RMNMURFIORDYEM-SNAWJCMRSA-N 2 2 346.519 3.497 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115567053 1370567102 /nfs/dbraw/zinc/56/71/02/1370567102.db2.gz MKBUSOYBTZNKEC-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115567053 1370567103 /nfs/dbraw/zinc/56/71/03/1370567103.db2.gz MKBUSOYBTZNKEC-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580928 1370583313 /nfs/dbraw/zinc/58/33/13/1370583313.db2.gz WLXABOMCVVXSMX-MULDZMIYSA-N 2 2 344.503 3.278 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580928 1370583316 /nfs/dbraw/zinc/58/33/16/1370583316.db2.gz WLXABOMCVVXSMX-MULDZMIYSA-N 2 2 344.503 3.278 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115594864 1370595977 /nfs/dbraw/zinc/59/59/77/1370595977.db2.gz BSIKYXCATNSRIN-UHFFFAOYSA-N 2 2 328.460 3.385 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CCCCC1 ZINC001115605314 1370604100 /nfs/dbraw/zinc/60/41/00/1370604100.db2.gz XNYHUCLNQJVFLT-MRXNPFEDSA-N 2 2 346.519 3.032 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CCCCC1 ZINC001115605314 1370604105 /nfs/dbraw/zinc/60/41/05/1370604105.db2.gz XNYHUCLNQJVFLT-MRXNPFEDSA-N 2 2 346.519 3.032 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2OC)C1 ZINC001205009438 1370627306 /nfs/dbraw/zinc/62/73/06/1370627306.db2.gz SLDQWRXWFNUNAB-GFCCVEGCSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2OC)C1 ZINC001205009438 1370627308 /nfs/dbraw/zinc/62/73/08/1370627308.db2.gz SLDQWRXWFNUNAB-GFCCVEGCSA-N 2 2 332.366 3.025 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205151711 1370665016 /nfs/dbraw/zinc/66/50/16/1370665016.db2.gz ZOIODOZPQPTYNP-WDEREUQCSA-N 2 2 331.685 3.438 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC001205151711 1370665018 /nfs/dbraw/zinc/66/50/18/1370665018.db2.gz ZOIODOZPQPTYNP-WDEREUQCSA-N 2 2 331.685 3.438 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725067 1370705561 /nfs/dbraw/zinc/70/55/61/1370705561.db2.gz ISISXLJAMNKFFA-CVEARBPZSA-N 2 2 346.519 3.284 20 0 EGADLP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115724998 1370705703 /nfs/dbraw/zinc/70/57/03/1370705703.db2.gz FBZWNSKKGSXYFA-INIZCTEOSA-N 2 2 344.503 3.205 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@H]1C[NH3+] ZINC001205306549 1370714822 /nfs/dbraw/zinc/71/48/22/1370714822.db2.gz WZEFUIRBYFSMPY-GHMZBOCLSA-N 2 2 330.929 3.424 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@H]1C[NH3+] ZINC001205306549 1370714824 /nfs/dbraw/zinc/71/48/24/1370714824.db2.gz WZEFUIRBYFSMPY-GHMZBOCLSA-N 2 2 330.929 3.424 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001115790228 1370771869 /nfs/dbraw/zinc/77/18/69/1370771869.db2.gz KZKRVLIRJLUFFN-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP CC(C)CC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500443 1370773571 /nfs/dbraw/zinc/77/35/71/1370773571.db2.gz WGZAXIJUNUTXGE-LJQANCHMSA-N 2 2 348.535 3.345 20 0 EGADLP CCCCC[NH2+]CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001205521514 1370779251 /nfs/dbraw/zinc/77/92/51/1370779251.db2.gz AATJPDAFYYCVGZ-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccc2[nH]1 ZINC001205577116 1370797684 /nfs/dbraw/zinc/79/76/84/1370797684.db2.gz SBRYATRUGCYPPL-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccc2[nH]1 ZINC001205577116 1370797688 /nfs/dbraw/zinc/79/76/88/1370797688.db2.gz SBRYATRUGCYPPL-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2[nH]1 ZINC001205577116 1370797691 /nfs/dbraw/zinc/79/76/91/1370797691.db2.gz SBRYATRUGCYPPL-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2[nH]1 ZINC001205577116 1370797694 /nfs/dbraw/zinc/79/76/94/1370797694.db2.gz SBRYATRUGCYPPL-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1F)C2 ZINC001205624006 1370814743 /nfs/dbraw/zinc/81/47/43/1370814743.db2.gz NIIAFMKHUPUZSC-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1F)C2 ZINC001205624006 1370814751 /nfs/dbraw/zinc/81/47/51/1370814751.db2.gz NIIAFMKHUPUZSC-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)ccc1F)C2 ZINC001205624006 1370814754 /nfs/dbraw/zinc/81/47/54/1370814754.db2.gz NIIAFMKHUPUZSC-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)ccc1F)C2 ZINC001205624006 1370814763 /nfs/dbraw/zinc/81/47/63/1370814763.db2.gz NIIAFMKHUPUZSC-FPOVZHCZSA-N 2 2 346.490 3.314 20 0 EGADLP CC[C@H](F)C[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205731821 1370854665 /nfs/dbraw/zinc/85/46/65/1370854665.db2.gz IELFJFBPHVPWCM-KRWDZBQOSA-N 2 2 335.467 3.197 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923921 1370912901 /nfs/dbraw/zinc/91/29/01/1370912901.db2.gz QGRIGAMREXZAOO-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP CC(C)(C)C(=O)Nc1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796976 1370874262 /nfs/dbraw/zinc/87/42/62/1370874262.db2.gz WOOBMBJCAIAMNN-AWEZNQCLSA-N 2 2 339.430 3.087 20 0 EGADLP CC(C)(C)C(=O)Nc1ccccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205796976 1370874266 /nfs/dbraw/zinc/87/42/66/1370874266.db2.gz WOOBMBJCAIAMNN-AWEZNQCLSA-N 2 2 339.430 3.087 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1F ZINC001205915828 1370909488 /nfs/dbraw/zinc/90/94/88/1370909488.db2.gz QSYGMDRKTXKADT-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1F ZINC001205915828 1370909491 /nfs/dbraw/zinc/90/94/91/1370909491.db2.gz QSYGMDRKTXKADT-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205923921 1370912896 /nfs/dbraw/zinc/91/28/96/1370912896.db2.gz QGRIGAMREXZAOO-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc3cc(Br)ccc3s2)C[C@H]1[NH3+] ZINC001206058928 1370950792 /nfs/dbraw/zinc/95/07/92/1370950792.db2.gz ZIWIIMMVQYEVPB-NOZJJQNGSA-N 2 2 325.275 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc3cc(Br)ccc3s2)C[C@H]1[NH3+] ZINC001206058928 1370950795 /nfs/dbraw/zinc/95/07/95/1370950795.db2.gz ZIWIIMMVQYEVPB-NOZJJQNGSA-N 2 2 325.275 3.443 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206174095 1370979903 /nfs/dbraw/zinc/97/99/03/1370979903.db2.gz LXTQWVJQRDEDCE-RYUDHWBXSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@@H]1F ZINC001206174095 1370979906 /nfs/dbraw/zinc/97/99/06/1370979906.db2.gz LXTQWVJQRDEDCE-RYUDHWBXSA-N 2 2 340.748 3.500 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068728 1371009558 /nfs/dbraw/zinc/00/95/58/1371009558.db2.gz NECWLISCDGSECA-HSALFYBXSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068728 1371009563 /nfs/dbraw/zinc/00/95/63/1371009563.db2.gz NECWLISCDGSECA-HSALFYBXSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@@H]([NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068728 1371009566 /nfs/dbraw/zinc/00/95/66/1371009566.db2.gz NECWLISCDGSECA-HSALFYBXSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@@H]([NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068728 1371009570 /nfs/dbraw/zinc/00/95/70/1371009570.db2.gz NECWLISCDGSECA-HSALFYBXSA-N 2 2 348.556 3.493 20 0 EGADLP c1cn(-c2ccccc2-c2noc(C3(CC4CC4)CC[NH2+]CC3)n2)c[nH+]1 ZINC001206315725 1371018978 /nfs/dbraw/zinc/01/89/78/1371018978.db2.gz MRVRHPCBRRALCO-UHFFFAOYSA-N 2 2 349.438 3.344 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206550072 1371091234 /nfs/dbraw/zinc/09/12/34/1371091234.db2.gz UUMZEDSCERVAMB-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206550072 1371091237 /nfs/dbraw/zinc/09/12/37/1371091237.db2.gz UUMZEDSCERVAMB-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC001118058516 1371126635 /nfs/dbraw/zinc/12/66/35/1371126635.db2.gz KSOHKOXVMHFKBA-AHRSYUTCSA-N 2 2 326.488 3.410 20 0 EGADLP COc1ccc2cc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c(Cl)nc2c1 ZINC001206769755 1371159559 /nfs/dbraw/zinc/15/95/59/1371159559.db2.gz QCLKTLOSWWBNJG-QWHCGFSZSA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c(Cl)nc2c1 ZINC001206769755 1371159561 /nfs/dbraw/zinc/15/95/61/1371159561.db2.gz QCLKTLOSWWBNJG-QWHCGFSZSA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206772215 1371160901 /nfs/dbraw/zinc/16/09/01/1371160901.db2.gz ZIXBGKNNUSQRPU-OLZOCXBDSA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc2c1 ZINC001206772215 1371160904 /nfs/dbraw/zinc/16/09/04/1371160904.db2.gz ZIXBGKNNUSQRPU-OLZOCXBDSA-N 2 2 333.863 3.456 20 0 EGADLP Cc1[nH+]cc(CN2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1C ZINC001206794409 1371169185 /nfs/dbraw/zinc/16/91/85/1371169185.db2.gz YARSVVVIINRKJF-HXUWFJFHSA-N 2 2 342.462 3.108 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805259 1371175017 /nfs/dbraw/zinc/17/50/17/1371175017.db2.gz BAUHKTGFVWVRHB-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805259 1371175018 /nfs/dbraw/zinc/17/50/18/1371175018.db2.gz BAUHKTGFVWVRHB-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(/C=C/C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001118854075 1371241026 /nfs/dbraw/zinc/24/10/26/1371241026.db2.gz CEWCKZFFFNXDHX-VMPITWQZSA-N 2 2 334.379 3.236 20 0 EGADLP Fc1ccc(C[N@@H+]2CCCN(Cc3[nH+]cc4ccccn43)CC2)cc1 ZINC001207053198 1371278265 /nfs/dbraw/zinc/27/82/65/1371278265.db2.gz MTDNRCYQRHFJSQ-UHFFFAOYSA-N 2 2 338.430 3.181 20 0 EGADLP Fc1ccc(C[N@H+]2CCCN(Cc3[nH+]cc4ccccn43)CC2)cc1 ZINC001207053198 1371278272 /nfs/dbraw/zinc/27/82/72/1371278272.db2.gz MTDNRCYQRHFJSQ-UHFFFAOYSA-N 2 2 338.430 3.181 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc(C)n[nH]1 ZINC001119290055 1371299116 /nfs/dbraw/zinc/29/91/16/1371299116.db2.gz YUFGQXJWCOSBHB-UHFFFAOYSA-N 2 2 326.448 3.022 20 0 EGADLP COc1cccc([C@@H]([NH3+])C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC001119381037 1371326617 /nfs/dbraw/zinc/32/66/17/1371326617.db2.gz OSXDWNDITVYRIG-QGZVFWFLSA-N 2 2 347.846 3.049 20 0 EGADLP COc1cccc(CC[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001207428186 1371392705 /nfs/dbraw/zinc/39/27/05/1371392705.db2.gz XYPXQJGRXRPBAM-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP COc1cccc(CC[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001207428186 1371392710 /nfs/dbraw/zinc/39/27/10/1371392710.db2.gz XYPXQJGRXRPBAM-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP COc1cccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001207428186 1371392714 /nfs/dbraw/zinc/39/27/14/1371392714.db2.gz XYPXQJGRXRPBAM-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP COc1cccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001207428186 1371392718 /nfs/dbraw/zinc/39/27/18/1371392718.db2.gz XYPXQJGRXRPBAM-KDURUIRLSA-N 2 2 340.467 3.285 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001207600635 1371448408 /nfs/dbraw/zinc/44/84/08/1371448408.db2.gz VYKWSGKNVHGMMT-WOJBJXKFSA-N 2 2 339.458 3.217 20 0 EGADLP c1cn(Cc2nnn3c2C[N@H+](CCCC2CCCCC2)CCC3)c[nH+]1 ZINC001207607134 1371450588 /nfs/dbraw/zinc/45/05/88/1371450588.db2.gz HXCIODQPNLHJEQ-UHFFFAOYSA-N 2 2 342.491 3.089 20 0 EGADLP c1cn(Cc2nnn3c2C[N@@H+](CCCC2CCCCC2)CCC3)c[nH+]1 ZINC001207607134 1371450589 /nfs/dbraw/zinc/45/05/89/1371450589.db2.gz HXCIODQPNLHJEQ-UHFFFAOYSA-N 2 2 342.491 3.089 20 0 EGADLP Cn1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)cn1 ZINC001120260020 1371518509 /nfs/dbraw/zinc/51/85/09/1371518509.db2.gz OBNMORMSEQYULS-VCYXJBJXSA-N 2 2 336.483 3.257 20 0 EGADLP Cn1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)cn1 ZINC001120260020 1371518512 /nfs/dbraw/zinc/51/85/12/1371518512.db2.gz OBNMORMSEQYULS-VCYXJBJXSA-N 2 2 336.483 3.257 20 0 EGADLP Fc1cccc(CC[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001208196987 1371636944 /nfs/dbraw/zinc/63/69/44/1371636944.db2.gz DFUYUXONZAPJMX-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1cccc(CC[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001208196987 1371636957 /nfs/dbraw/zinc/63/69/57/1371636957.db2.gz DFUYUXONZAPJMX-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001208196987 1371636970 /nfs/dbraw/zinc/63/69/70/1371636970.db2.gz DFUYUXONZAPJMX-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001208196987 1371636989 /nfs/dbraw/zinc/63/69/89/1371636989.db2.gz DFUYUXONZAPJMX-HDICACEKSA-N 2 2 328.431 3.415 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386347 1371746955 /nfs/dbraw/zinc/74/69/55/1371746955.db2.gz BLZICJOSOYCNRJ-ZWKOTPCHSA-N 2 2 332.492 3.017 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001208613651 1371840582 /nfs/dbraw/zinc/84/05/82/1371840582.db2.gz XJNDSEDXPUPRBV-CQSZACIVSA-N 2 2 342.314 3.457 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001208613651 1371840585 /nfs/dbraw/zinc/84/05/85/1371840585.db2.gz XJNDSEDXPUPRBV-CQSZACIVSA-N 2 2 342.314 3.457 20 0 EGADLP CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121271764 1371917551 /nfs/dbraw/zinc/91/75/51/1371917551.db2.gz OSYUNWNWEKUHHM-WZXTXQKWSA-N 2 2 346.519 3.143 20 0 EGADLP COCC[N@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001209113322 1372002056 /nfs/dbraw/zinc/00/20/56/1372002056.db2.gz QXESOXAGHFOPLS-UHFFFAOYSA-N 2 2 328.859 3.064 20 0 EGADLP COCC[N@@H+](CCc1ccc(F)cc1Cl)C1CC[NH+](C)CC1 ZINC001209113322 1372002064 /nfs/dbraw/zinc/00/20/64/1372002064.db2.gz QXESOXAGHFOPLS-UHFFFAOYSA-N 2 2 328.859 3.064 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209569625 1372139952 /nfs/dbraw/zinc/13/99/52/1372139952.db2.gz UAEFQDPEQIVODI-FDRQBBGKSA-N 2 2 344.503 3.157 20 0 EGADLP COc1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cnc1OC ZINC001209618755 1372153471 /nfs/dbraw/zinc/15/34/71/1372153471.db2.gz KWTBCCVSXMZJBA-UHFFFAOYSA-N 2 2 347.503 3.328 20 0 EGADLP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cnc1OC ZINC001209618755 1372153474 /nfs/dbraw/zinc/15/34/74/1372153474.db2.gz KWTBCCVSXMZJBA-UHFFFAOYSA-N 2 2 347.503 3.328 20 0 EGADLP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285024 1372221326 /nfs/dbraw/zinc/22/13/26/1372221326.db2.gz LDLDLEQOPMLXKF-UHFFFAOYSA-N 2 2 346.519 3.117 20 0 EGADLP C[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001210542879 1372374985 /nfs/dbraw/zinc/37/49/85/1372374985.db2.gz CGMCUZIFEPJKNA-UHFFFAOYSA-N 3 2 349.522 3.429 20 0 EGADLP C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC001210542879 1372374989 /nfs/dbraw/zinc/37/49/89/1372374989.db2.gz CGMCUZIFEPJKNA-UHFFFAOYSA-N 3 2 349.522 3.429 20 0 EGADLP COc1cc(Nc2c[nH+]cc(C)c2C)ccc1N1CC[NH+](C)CC1 ZINC001213537251 1372922076 /nfs/dbraw/zinc/92/20/76/1372922076.db2.gz YDUMLSBLZZALFL-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632651 1373092785 /nfs/dbraw/zinc/09/27/85/1373092785.db2.gz QCEATOJVJJJRTD-CDZANEANSA-N 2 2 340.471 3.049 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214967189 1373149385 /nfs/dbraw/zinc/14/93/85/1373149385.db2.gz RYNDZMLXPIZXKD-FZKQIMNGSA-N 2 2 328.460 3.049 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1 ZINC001218390136 1373604745 /nfs/dbraw/zinc/60/47/45/1373604745.db2.gz FYSRIHAWJKJXPF-SFHVURJKSA-N 2 2 342.414 3.011 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC001218390136 1373604747 /nfs/dbraw/zinc/60/47/47/1373604747.db2.gz FYSRIHAWJKJXPF-SFHVURJKSA-N 2 2 342.414 3.011 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634772 1373785147 /nfs/dbraw/zinc/78/51/47/1373785147.db2.gz HYLMZQPIRINQKR-CEXWTWQISA-N 2 2 346.519 3.193 20 0 EGADLP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634772 1373785151 /nfs/dbraw/zinc/78/51/51/1373785151.db2.gz HYLMZQPIRINQKR-CEXWTWQISA-N 2 2 346.519 3.193 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001222092977 1373816096 /nfs/dbraw/zinc/81/60/96/1373816096.db2.gz YZHVNSPUHBHSHV-LJQANCHMSA-N 2 2 344.503 3.134 20 0 EGADLP CCOc1ncc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222173578 1373818567 /nfs/dbraw/zinc/81/85/67/1373818567.db2.gz VJJHFVVODMILBK-LJQANCHMSA-N 2 2 335.467 3.365 20 0 EGADLP CCOc1ncc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222173578 1373818573 /nfs/dbraw/zinc/81/85/73/1373818573.db2.gz VJJHFVVODMILBK-LJQANCHMSA-N 2 2 335.467 3.365 20 0 EGADLP Clc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278243 1373823424 /nfs/dbraw/zinc/82/34/24/1373823424.db2.gz YSXPUZIVMXOOJT-LJQANCHMSA-N 2 2 344.890 3.491 20 0 EGADLP Clc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278243 1373823430 /nfs/dbraw/zinc/82/34/30/1373823430.db2.gz YSXPUZIVMXOOJT-LJQANCHMSA-N 2 2 344.890 3.491 20 0 EGADLP C[NH+](C)Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001225330292 1375105165 /nfs/dbraw/zinc/10/51/65/1375105165.db2.gz FBPWCQOYLMODLH-OAQYLSRUSA-N 2 2 340.467 3.028 20 0 EGADLP C[NH+](C)Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001225330292 1375105167 /nfs/dbraw/zinc/10/51/67/1375105167.db2.gz FBPWCQOYLMODLH-OAQYLSRUSA-N 2 2 340.467 3.028 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CC1CCCCCC1 ZINC001132221322 1375218573 /nfs/dbraw/zinc/21/85/73/1375218573.db2.gz FZJUYEBZKCSCJR-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CC1CCCCCC1 ZINC001132221322 1375218575 /nfs/dbraw/zinc/21/85/75/1375218575.db2.gz FZJUYEBZKCSCJR-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227705393 1375464187 /nfs/dbraw/zinc/46/41/87/1375464187.db2.gz GCECWVGEYUXSRY-IBGZPJMESA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227705393 1375464188 /nfs/dbraw/zinc/46/41/88/1375464188.db2.gz GCECWVGEYUXSRY-IBGZPJMESA-N 2 2 340.471 3.074 20 0 EGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001132824033 1375584331 /nfs/dbraw/zinc/58/43/31/1375584331.db2.gz PPYNCRWCFBZHDP-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001229046853 1375750298 /nfs/dbraw/zinc/75/02/98/1375750298.db2.gz UMTYGMFDUDGRCB-BMGDILEWSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001229046853 1375750307 /nfs/dbraw/zinc/75/03/07/1375750307.db2.gz UMTYGMFDUDGRCB-BMGDILEWSA-N 2 2 346.519 3.042 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133287846 1375898239 /nfs/dbraw/zinc/89/82/39/1375898239.db2.gz FHLJQSSYPYCRHV-MSOLQXFVSA-N 2 2 348.535 3.007 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618075 1376104010 /nfs/dbraw/zinc/10/40/10/1376104010.db2.gz JSLCRUSFUDBFNM-LJQANCHMSA-N 2 2 346.519 3.154 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618075 1376104016 /nfs/dbraw/zinc/10/40/16/1376104016.db2.gz JSLCRUSFUDBFNM-LJQANCHMSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227784 1376423453 /nfs/dbraw/zinc/42/34/53/1376423453.db2.gz KEIGLKFQFYVEIK-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)c1 ZINC001134227478 1376424187 /nfs/dbraw/zinc/42/41/87/1376424187.db2.gz HQDGTGUKVPLWHM-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134231069 1376425260 /nfs/dbraw/zinc/42/52/60/1376425260.db2.gz ZIBYXPBUUQIGQV-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001232336980 1376443660 /nfs/dbraw/zinc/44/36/60/1376443660.db2.gz WXIBVPSDBBXPOF-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001232336980 1376443662 /nfs/dbraw/zinc/44/36/62/1376443662.db2.gz WXIBVPSDBBXPOF-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC001232336980 1376443670 /nfs/dbraw/zinc/44/36/70/1376443670.db2.gz WXIBVPSDBBXPOF-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001232336980 1376443674 /nfs/dbraw/zinc/44/36/74/1376443674.db2.gz WXIBVPSDBBXPOF-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP CSc1cc(C)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232351931 1376447018 /nfs/dbraw/zinc/44/70/18/1376447018.db2.gz SHYQINGQGBWSFK-MRXNPFEDSA-N 2 2 329.469 3.469 20 0 EGADLP CSc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cn1 ZINC001232351931 1376447019 /nfs/dbraw/zinc/44/70/19/1376447019.db2.gz SHYQINGQGBWSFK-MRXNPFEDSA-N 2 2 329.469 3.469 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(OC(F)F)nc2)C1 ZINC001232957021 1376548144 /nfs/dbraw/zinc/54/81/44/1376548144.db2.gz PVMBBVYFHIEIFH-AWEZNQCLSA-N 2 2 335.354 3.040 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)nc2)C1 ZINC001232957021 1376548146 /nfs/dbraw/zinc/54/81/46/1376548146.db2.gz PVMBBVYFHIEIFH-AWEZNQCLSA-N 2 2 335.354 3.040 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001134517380 1376574518 /nfs/dbraw/zinc/57/45/18/1376574518.db2.gz FGEOKERFSUXRBH-YOEHRIQHSA-N 2 2 348.878 3.345 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544305 1376585228 /nfs/dbraw/zinc/58/52/28/1376585228.db2.gz FNWFHJGAKPRFOJ-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544305 1376585231 /nfs/dbraw/zinc/58/52/31/1376585231.db2.gz FNWFHJGAKPRFOJ-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235021428 1376829213 /nfs/dbraw/zinc/82/92/13/1376829213.db2.gz HUKFRPOLIMWDQI-NRFANRHFSA-N 2 2 346.515 3.293 20 0 EGADLP Cc1cc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc(C)c1OC(C)C ZINC001235021428 1376829218 /nfs/dbraw/zinc/82/92/18/1376829218.db2.gz HUKFRPOLIMWDQI-NRFANRHFSA-N 2 2 346.515 3.293 20 0 EGADLP COc1cc2ccccc2cc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235020522 1376829459 /nfs/dbraw/zinc/82/94/59/1376829459.db2.gz DOAZGNCVKOEJEI-OAQYLSRUSA-N 2 2 340.467 3.050 20 0 EGADLP COc1cc2ccccc2cc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235020522 1376829462 /nfs/dbraw/zinc/82/94/62/1376829462.db2.gz DOAZGNCVKOEJEI-OAQYLSRUSA-N 2 2 340.467 3.050 20 0 EGADLP c1ccc(Oc2cccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235113825 1376846274 /nfs/dbraw/zinc/84/62/74/1376846274.db2.gz GQKPGIVVVUTSKX-NRFANRHFSA-N 2 2 338.451 3.433 20 0 EGADLP c1ccc(Oc2cccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cc1 ZINC001235113825 1376846280 /nfs/dbraw/zinc/84/62/80/1376846280.db2.gz GQKPGIVVVUTSKX-NRFANRHFSA-N 2 2 338.451 3.433 20 0 EGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113478 1376846989 /nfs/dbraw/zinc/84/69/89/1376846989.db2.gz CMGKBHXKOZBEFK-OAQYLSRUSA-N 2 2 341.499 3.420 20 0 EGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113478 1376846992 /nfs/dbraw/zinc/84/69/92/1376846992.db2.gz CMGKBHXKOZBEFK-OAQYLSRUSA-N 2 2 341.499 3.420 20 0 EGADLP CCOc1ccc2ccccc2c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114847 1376848056 /nfs/dbraw/zinc/84/80/56/1376848056.db2.gz ONZYWLYFPJBCLN-NRFANRHFSA-N 2 2 340.467 3.193 20 0 EGADLP CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114847 1376848062 /nfs/dbraw/zinc/84/80/62/1376848062.db2.gz ONZYWLYFPJBCLN-NRFANRHFSA-N 2 2 340.467 3.193 20 0 EGADLP Clc1cnc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235191809 1376858143 /nfs/dbraw/zinc/85/81/43/1376858143.db2.gz ZIWCDYIPUVKTJM-WBVHZDCISA-N 2 2 327.859 3.443 20 0 EGADLP Clc1cnc(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235191809 1376858147 /nfs/dbraw/zinc/85/81/47/1376858147.db2.gz ZIWCDYIPUVKTJM-WBVHZDCISA-N 2 2 327.859 3.443 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C2 ZINC001235244783 1376862007 /nfs/dbraw/zinc/86/20/07/1376862007.db2.gz KHGKKFCTDPUJJO-IUODEOHRSA-N 2 2 332.341 3.237 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C2 ZINC001235244783 1376862011 /nfs/dbraw/zinc/86/20/11/1376862011.db2.gz KHGKKFCTDPUJJO-IUODEOHRSA-N 2 2 332.341 3.237 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135056422 1376871245 /nfs/dbraw/zinc/87/12/45/1376871245.db2.gz MHRZPIXORNMKKT-DLBZAZTESA-N 2 2 348.535 3.196 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632064 1376879795 /nfs/dbraw/zinc/87/97/95/1376879795.db2.gz DYUWRIGFPOLXGR-ZWKOTPCHSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632064 1376879805 /nfs/dbraw/zinc/87/98/05/1376879805.db2.gz DYUWRIGFPOLXGR-ZWKOTPCHSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632729 1376880634 /nfs/dbraw/zinc/88/06/34/1376880634.db2.gz KBCXRLDYSRBKSZ-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632729 1376880638 /nfs/dbraw/zinc/88/06/38/1376880638.db2.gz KBCXRLDYSRBKSZ-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP Fc1c(Cl)cc(Cl)cc1CN1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001235703927 1376885518 /nfs/dbraw/zinc/88/55/18/1376885518.db2.gz VRBAIUGAKQLNOP-UHFFFAOYSA-N 2 2 346.277 3.002 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135136654 1376926176 /nfs/dbraw/zinc/92/61/76/1376926176.db2.gz JGFWSUSIGLKXCZ-IAGOWNOFSA-N 2 2 334.508 3.117 20 0 EGADLP CCC[N@@H+](Cc1ccc(C(=O)OCC)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844113 1376966336 /nfs/dbraw/zinc/96/63/36/1376966336.db2.gz SWQZYHMXMWCOOQ-AWEZNQCLSA-N 2 2 338.879 3.338 20 0 EGADLP CCC[N@H+](Cc1ccc(C(=O)OCC)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236844113 1376966346 /nfs/dbraw/zinc/96/63/46/1376966346.db2.gz SWQZYHMXMWCOOQ-AWEZNQCLSA-N 2 2 338.879 3.338 20 0 EGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381955 1377051640 /nfs/dbraw/zinc/05/16/40/1377051640.db2.gz VKKIICDUKHEOQF-HKUYNNGSSA-N 3 2 347.522 3.247 20 0 EGADLP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+]([C@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748577 1377053894 /nfs/dbraw/zinc/05/38/94/1377053894.db2.gz YZLTYRDEAOLTSB-NRFANRHFSA-N 3 2 341.543 3.425 20 0 EGADLP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@H]4CCC[NH2+]C4)CC3)C2)cc1 ZINC001246748577 1377053900 /nfs/dbraw/zinc/05/39/00/1377053900.db2.gz YZLTYRDEAOLTSB-NRFANRHFSA-N 3 2 341.543 3.425 20 0 EGADLP CCOc1cc[nH+]cc1Nc1cc[nH+]cc1CNC(=O)OC(C)(C)C ZINC001249817680 1377079181 /nfs/dbraw/zinc/07/91/81/1377079181.db2.gz KWKXGLPMAIGNJF-UHFFFAOYSA-N 2 2 344.415 3.066 20 0 EGADLP C[N@@H+]1CCC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511103 1377105669 /nfs/dbraw/zinc/10/56/69/1377105669.db2.gz VNBBWHQRFCOXFM-QGZVFWFLSA-N 3 2 335.923 3.160 20 0 EGADLP C[N@H+]1CCC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254511103 1377105672 /nfs/dbraw/zinc/10/56/72/1377105672.db2.gz VNBBWHQRFCOXFM-QGZVFWFLSA-N 3 2 335.923 3.160 20 0 EGADLP CCOC(=O)C1CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001255266199 1377110381 /nfs/dbraw/zinc/11/03/81/1377110381.db2.gz JLEOTHUZNTUWHW-UHFFFAOYSA-N 2 2 336.520 3.447 20 0 EGADLP CCOC(=O)C1CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001255266199 1377110382 /nfs/dbraw/zinc/11/03/82/1377110382.db2.gz JLEOTHUZNTUWHW-UHFFFAOYSA-N 2 2 336.520 3.447 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001257788065 1377114322 /nfs/dbraw/zinc/11/43/22/1377114322.db2.gz KFIJLLYYMZKHTQ-QFBILLFUSA-N 2 2 348.491 3.043 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001136031272 1377305738 /nfs/dbraw/zinc/30/57/38/1377305738.db2.gz IDMVIYQFOJMSTC-HZPDHXFCSA-N 2 2 348.535 3.494 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267116234 1377413632 /nfs/dbraw/zinc/41/36/32/1377413632.db2.gz CTJCNBIFDAGKJY-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267116234 1377413634 /nfs/dbraw/zinc/41/36/34/1377413634.db2.gz CTJCNBIFDAGKJY-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP Cc1cccc(N2CCC[N@H+](Cc3ccc(N4CCCC4)o3)CC2)[nH+]1 ZINC001137069612 1377472464 /nfs/dbraw/zinc/47/24/64/1377472464.db2.gz FNSABAORGIEKAI-UHFFFAOYSA-N 2 2 340.471 3.296 20 0 EGADLP Cc1cccc(N2CCC[N@@H+](Cc3ccc(N4CCCC4)o3)CC2)[nH+]1 ZINC001137069612 1377472469 /nfs/dbraw/zinc/47/24/69/1377472469.db2.gz FNSABAORGIEKAI-UHFFFAOYSA-N 2 2 340.471 3.296 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC([NH+]4CCC(F)CC4)CC3)n2c1 ZINC001137310291 1377514422 /nfs/dbraw/zinc/51/44/22/1377514422.db2.gz OWMMZXOEYNXMJE-UHFFFAOYSA-N 2 2 330.451 3.041 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC001137346008 1377527683 /nfs/dbraw/zinc/52/76/83/1377527683.db2.gz HNKJLQFXJUQWIW-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP CC(C)(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)[nH]1 ZINC001137373562 1377535236 /nfs/dbraw/zinc/53/52/36/1377535236.db2.gz DNRWELAJZSLHPF-QZTJIDSGSA-N 2 2 338.499 3.271 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782181 1377784608 /nfs/dbraw/zinc/78/46/08/1377784608.db2.gz GZAGCUVMEPCHAS-NSHGMRRFSA-N 2 2 346.519 3.421 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782181 1377784613 /nfs/dbraw/zinc/78/46/13/1377784613.db2.gz GZAGCUVMEPCHAS-NSHGMRRFSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782181 1377784616 /nfs/dbraw/zinc/78/46/16/1377784616.db2.gz GZAGCUVMEPCHAS-NSHGMRRFSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782181 1377784617 /nfs/dbraw/zinc/78/46/17/1377784617.db2.gz GZAGCUVMEPCHAS-NSHGMRRFSA-N 2 2 346.519 3.421 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139061226 1377823588 /nfs/dbraw/zinc/82/35/88/1377823588.db2.gz NGXLWQLPMNSCJS-OALUTQOASA-N 2 2 333.435 3.392 20 0 EGADLP COC(=O)c1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139361769 1377874371 /nfs/dbraw/zinc/87/43/71/1377874371.db2.gz YBTSJMMLBVFKSR-UHFFFAOYSA-N 2 2 347.418 3.217 20 0 EGADLP COC(=O)c1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139361769 1377874372 /nfs/dbraw/zinc/87/43/72/1377874372.db2.gz YBTSJMMLBVFKSR-UHFFFAOYSA-N 2 2 347.418 3.217 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139469573 1377889885 /nfs/dbraw/zinc/88/98/85/1377889885.db2.gz XVPWPRLOTVWEGD-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139469573 1377889894 /nfs/dbraw/zinc/88/98/94/1377889894.db2.gz XVPWPRLOTVWEGD-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001139594030 1377914187 /nfs/dbraw/zinc/91/41/87/1377914187.db2.gz ZTLRELWBNLXTEN-UHFFFAOYSA-N 2 2 331.847 3.456 20 0 EGADLP c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139759037 1377947615 /nfs/dbraw/zinc/94/76/15/1377947615.db2.gz AHZKKLLRBPPTGG-BGYRXZFFSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139759037 1377947619 /nfs/dbraw/zinc/94/76/19/1377947619.db2.gz AHZKKLLRBPPTGG-BGYRXZFFSA-N 2 2 344.499 3.020 20 0 EGADLP COCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001139827511 1377957836 /nfs/dbraw/zinc/95/78/36/1377957836.db2.gz ZLRMHGHJRDZIHP-HDICACEKSA-N 2 2 342.508 3.458 20 0 EGADLP COCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001139827511 1377957837 /nfs/dbraw/zinc/95/78/37/1377957837.db2.gz ZLRMHGHJRDZIHP-HDICACEKSA-N 2 2 342.508 3.458 20 0 EGADLP COCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001139827511 1377957838 /nfs/dbraw/zinc/95/78/38/1377957838.db2.gz ZLRMHGHJRDZIHP-HDICACEKSA-N 2 2 342.508 3.458 20 0 EGADLP COCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001139827511 1377957839 /nfs/dbraw/zinc/95/78/39/1377957839.db2.gz ZLRMHGHJRDZIHP-HDICACEKSA-N 2 2 342.508 3.458 20 0 EGADLP Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)no1 ZINC001140021427 1377991296 /nfs/dbraw/zinc/99/12/96/1377991296.db2.gz LUKYCCNQFKVPAM-QGZVFWFLSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)no1 ZINC001140021427 1377991297 /nfs/dbraw/zinc/99/12/97/1377991297.db2.gz LUKYCCNQFKVPAM-QGZVFWFLSA-N 2 2 337.427 3.252 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC1CC1 ZINC001140491422 1378071900 /nfs/dbraw/zinc/07/19/00/1378071900.db2.gz ZKXRYSPGTLMIMB-HXUWFJFHSA-N 2 2 330.472 3.012 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCC1CC1 ZINC001140491422 1378071904 /nfs/dbraw/zinc/07/19/04/1378071904.db2.gz ZKXRYSPGTLMIMB-HXUWFJFHSA-N 2 2 330.472 3.012 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCC1CC1 ZINC001140491422 1378071910 /nfs/dbraw/zinc/07/19/10/1378071910.db2.gz ZKXRYSPGTLMIMB-HXUWFJFHSA-N 2 2 330.472 3.012 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCC1CC1 ZINC001140491422 1378071916 /nfs/dbraw/zinc/07/19/16/1378071916.db2.gz ZKXRYSPGTLMIMB-HXUWFJFHSA-N 2 2 330.472 3.012 20 0 EGADLP CC/C=C\CCC[N@@H+]1CCCC[C@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273114666 1378087210 /nfs/dbraw/zinc/08/72/10/1378087210.db2.gz BOOFUDCLKCXDDW-BBIZLLLXSA-N 2 2 344.503 3.124 20 0 EGADLP CC/C=C\CCC[N@H+]1CCCC[C@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273114666 1378087212 /nfs/dbraw/zinc/08/72/12/1378087212.db2.gz BOOFUDCLKCXDDW-BBIZLLLXSA-N 2 2 344.503 3.124 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001140573832 1378087698 /nfs/dbraw/zinc/08/76/98/1378087698.db2.gz UJGLWVWZWDBEIW-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001140573832 1378087701 /nfs/dbraw/zinc/08/77/01/1378087701.db2.gz UJGLWVWZWDBEIW-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001140573832 1378087703 /nfs/dbraw/zinc/08/77/03/1378087703.db2.gz UJGLWVWZWDBEIW-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001140573832 1378087706 /nfs/dbraw/zinc/08/77/06/1378087706.db2.gz UJGLWVWZWDBEIW-CALCHBBNSA-N 2 2 328.481 3.326 20 0 EGADLP CC(C)[N@H+](Cc1ccc(OC(F)F)c(O)c1)C1CC[NH+](C)CC1 ZINC001140629858 1378101070 /nfs/dbraw/zinc/10/10/70/1378101070.db2.gz CVXLPMBAOAIFGT-UHFFFAOYSA-N 2 2 328.403 3.298 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C1CC[NH+](C)CC1 ZINC001140629858 1378101071 /nfs/dbraw/zinc/10/10/71/1378101071.db2.gz CVXLPMBAOAIFGT-UHFFFAOYSA-N 2 2 328.403 3.298 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC001140695056 1378116413 /nfs/dbraw/zinc/11/64/13/1378116413.db2.gz RBPUVZDDTGWAKP-UHFFFAOYSA-N 2 2 347.503 3.420 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC001140695056 1378116417 /nfs/dbraw/zinc/11/64/17/1378116417.db2.gz RBPUVZDDTGWAKP-UHFFFAOYSA-N 2 2 347.503 3.420 20 0 EGADLP Nc1cccc(F)c1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140872884 1378165221 /nfs/dbraw/zinc/16/52/21/1378165221.db2.gz JWOXPMONPUWDGS-ZIAGYGMSSA-N 2 2 331.460 3.033 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140902729 1378176385 /nfs/dbraw/zinc/17/63/85/1378176385.db2.gz HSAQMCBFWVUKOE-UHFFFAOYSA-N 2 2 342.430 3.460 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140902729 1378176387 /nfs/dbraw/zinc/17/63/87/1378176387.db2.gz HSAQMCBFWVUKOE-UHFFFAOYSA-N 2 2 342.430 3.460 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CCN(Cc2ccn3cc[nH+]c3c2)CC1 ZINC001141044555 1378217992 /nfs/dbraw/zinc/21/79/92/1378217992.db2.gz OEKYHKZCZFUACO-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccn3cc[nH+]c3c2)CC1 ZINC001141044555 1378217995 /nfs/dbraw/zinc/21/79/95/1378217995.db2.gz OEKYHKZCZFUACO-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP Cc1ncoc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001141055097 1378223662 /nfs/dbraw/zinc/22/36/62/1378223662.db2.gz NZCGVMAUVCRMBP-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001141055097 1378223670 /nfs/dbraw/zinc/22/36/70/1378223670.db2.gz NZCGVMAUVCRMBP-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001141055097 1378223672 /nfs/dbraw/zinc/22/36/72/1378223672.db2.gz NZCGVMAUVCRMBP-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001141055097 1378223676 /nfs/dbraw/zinc/22/36/76/1378223676.db2.gz NZCGVMAUVCRMBP-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP COc1ccsc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001141320969 1378301726 /nfs/dbraw/zinc/30/17/26/1378301726.db2.gz PBNWPMKBRSKISF-KBPBESRZSA-N 2 2 334.510 3.382 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5c4OCO5)C[C@H]3C2)c1 ZINC001141950214 1378397333 /nfs/dbraw/zinc/39/73/33/1378397333.db2.gz NGUBOXXQLRVEOM-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5c4OCO5)C[C@H]3C2)c1 ZINC001141950214 1378397336 /nfs/dbraw/zinc/39/73/36/1378397336.db2.gz NGUBOXXQLRVEOM-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@H]3C2)c1 ZINC001141950214 1378397338 /nfs/dbraw/zinc/39/73/38/1378397338.db2.gz NGUBOXXQLRVEOM-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@H]3C2)c1 ZINC001141950214 1378397340 /nfs/dbraw/zinc/39/73/40/1378397340.db2.gz NGUBOXXQLRVEOM-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001143587800 1378621894 /nfs/dbraw/zinc/62/18/94/1378621894.db2.gz OXVVRSYJWJXYEY-ROUUACIJSA-N 2 2 325.431 3.093 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@H]3C2)c1 ZINC001144171487 1378692290 /nfs/dbraw/zinc/69/22/90/1378692290.db2.gz BTFGFWNSGHPGPD-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@H]3C2)c1 ZINC001144171487 1378692293 /nfs/dbraw/zinc/69/22/93/1378692293.db2.gz BTFGFWNSGHPGPD-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5cc[nH]c5n4)C[C@H]3C2)c1 ZINC001144171487 1378692314 /nfs/dbraw/zinc/69/23/14/1378692314.db2.gz BTFGFWNSGHPGPD-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5cc[nH]c5n4)C[C@H]3C2)c1 ZINC001144171487 1378692330 /nfs/dbraw/zinc/69/23/30/1378692330.db2.gz BTFGFWNSGHPGPD-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP Cc1cc(C[NH+]2CCC3(C[NH+](C)C3)CC2)c(F)cc1Br ZINC001144590939 1378749485 /nfs/dbraw/zinc/74/94/85/1378749485.db2.gz NMCDLYZFXBQKEI-UHFFFAOYSA-N 2 2 341.268 3.424 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146713173 1378905730 /nfs/dbraw/zinc/90/57/30/1378905730.db2.gz HODMGNFUXQNIAI-IAGOWNOFSA-N 2 2 334.508 3.117 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358105 1379156532 /nfs/dbraw/zinc/15/65/32/1379156532.db2.gz UCOJSNYPEABVPE-XFHJGTJQSA-N 2 2 344.503 3.115 20 0 EGADLP CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358105 1379156533 /nfs/dbraw/zinc/15/65/33/1379156533.db2.gz UCOJSNYPEABVPE-XFHJGTJQSA-N 2 2 344.503 3.115 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760429 1380123278 /nfs/dbraw/zinc/12/32/78/1380123278.db2.gz KTQLVXCLPXRIHE-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760429 1380123279 /nfs/dbraw/zinc/12/32/79/1380123279.db2.gz KTQLVXCLPXRIHE-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760429 1380123280 /nfs/dbraw/zinc/12/32/80/1380123280.db2.gz KTQLVXCLPXRIHE-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760429 1380123281 /nfs/dbraw/zinc/12/32/81/1380123281.db2.gz KTQLVXCLPXRIHE-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994729 1380173421 /nfs/dbraw/zinc/17/34/21/1380173421.db2.gz NTLVNXRQEBJPHD-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994729 1380173424 /nfs/dbraw/zinc/17/34/24/1380173424.db2.gz NTLVNXRQEBJPHD-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC[N@H+](CC[C@H](C)F)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492608 1380288565 /nfs/dbraw/zinc/28/85/65/1380288565.db2.gz LKXPHSOFCPLFLB-JKSUJKDBSA-N 2 2 346.450 3.061 20 0 EGADLP CC[N@@H+](CC[C@H](C)F)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492608 1380288566 /nfs/dbraw/zinc/28/85/66/1380288566.db2.gz LKXPHSOFCPLFLB-JKSUJKDBSA-N 2 2 346.450 3.061 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155750968 1380488947 /nfs/dbraw/zinc/48/89/47/1380488947.db2.gz BAEQYRKJHKYTAJ-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155750968 1380488948 /nfs/dbraw/zinc/48/89/48/1380488948.db2.gz BAEQYRKJHKYTAJ-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155750968 1380488949 /nfs/dbraw/zinc/48/89/49/1380488949.db2.gz BAEQYRKJHKYTAJ-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155750968 1380488950 /nfs/dbraw/zinc/48/89/50/1380488950.db2.gz BAEQYRKJHKYTAJ-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751562 1380489158 /nfs/dbraw/zinc/48/91/58/1380489158.db2.gz PEJHGBILWQBZDJ-IAGOWNOFSA-N 2 2 346.519 3.305 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751562 1380489159 /nfs/dbraw/zinc/48/91/59/1380489159.db2.gz PEJHGBILWQBZDJ-IAGOWNOFSA-N 2 2 346.519 3.305 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751562 1380489160 /nfs/dbraw/zinc/48/91/60/1380489160.db2.gz PEJHGBILWQBZDJ-IAGOWNOFSA-N 2 2 346.519 3.305 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751562 1380489161 /nfs/dbraw/zinc/48/91/61/1380489161.db2.gz PEJHGBILWQBZDJ-IAGOWNOFSA-N 2 2 346.519 3.305 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1NCc1cccc(C[NH+](C)C)c1 ZINC001156047781 1380517687 /nfs/dbraw/zinc/51/76/87/1380517687.db2.gz IDQCVZRHTKOXOA-CMDGGOBGSA-N 2 2 339.439 3.250 20 0 EGADLP CC[N@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156177306 1380536467 /nfs/dbraw/zinc/53/64/67/1380536467.db2.gz SWGJSROXGQNSME-GTBONMDNSA-N 2 2 346.862 3.065 20 0 EGADLP CC[N@@H+](C/C=C\Cl)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156177306 1380536469 /nfs/dbraw/zinc/53/64/69/1380536469.db2.gz SWGJSROXGQNSME-GTBONMDNSA-N 2 2 346.862 3.065 20 0 EGADLP CC(C)c1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc(C(C)(C)C)n1 ZINC001156187530 1380538410 /nfs/dbraw/zinc/53/84/10/1380538410.db2.gz HHZWUEPYVVKTKK-UHFFFAOYSA-N 2 2 347.551 3.335 20 0 EGADLP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617270 1380600183 /nfs/dbraw/zinc/60/01/83/1380600183.db2.gz BWHLFPPMYUCUTE-MRXNPFEDSA-N 2 2 348.535 3.448 20 0 EGADLP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617270 1380600184 /nfs/dbraw/zinc/60/01/84/1380600184.db2.gz BWHLFPPMYUCUTE-MRXNPFEDSA-N 2 2 348.535 3.448 20 0 EGADLP Cc1cc(N2CCCC2)nc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)[nH+]1 ZINC001156775828 1380632944 /nfs/dbraw/zinc/63/29/44/1380632944.db2.gz OASAKLOIRYUJKY-UHFFFAOYSA-N 2 2 348.454 3.207 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(NCCC[N@@H+]3CCCC[C@@H]3C)c2[nH]1 ZINC001156928374 1380731498 /nfs/dbraw/zinc/73/14/98/1380731498.db2.gz JMMSKZVZBPKOOZ-AWEZNQCLSA-N 2 2 344.459 3.416 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(NCCC[N@H+]3CCCC[C@@H]3C)c2[nH]1 ZINC001156928374 1380731503 /nfs/dbraw/zinc/73/15/03/1380731503.db2.gz JMMSKZVZBPKOOZ-AWEZNQCLSA-N 2 2 344.459 3.416 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880604 1381058073 /nfs/dbraw/zinc/05/80/73/1381058073.db2.gz LCKSMSNGBFYBSK-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880604 1381058076 /nfs/dbraw/zinc/05/80/76/1381058076.db2.gz LCKSMSNGBFYBSK-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1c[nH+]c(N(CC(C)(C)C)C2CC[NH2+]CC2)nc1NCC1CC1 ZINC001157883638 1381059171 /nfs/dbraw/zinc/05/91/71/1381059171.db2.gz WWMBKYGPBPYVHN-UHFFFAOYSA-N 2 2 331.508 3.211 20 0 EGADLP CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217607 1381162941 /nfs/dbraw/zinc/16/29/41/1381162941.db2.gz SDMWUMBRIAESNM-MRXNPFEDSA-N 2 2 328.460 3.061 20 0 EGADLP CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217607 1381162949 /nfs/dbraw/zinc/16/29/49/1381162949.db2.gz SDMWUMBRIAESNM-MRXNPFEDSA-N 2 2 328.460 3.061 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158295895 1381188297 /nfs/dbraw/zinc/18/82/97/1381188297.db2.gz CQTYYGDFHWNFMF-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158295895 1381188300 /nfs/dbraw/zinc/18/83/00/1381188300.db2.gz CQTYYGDFHWNFMF-GOSISDBHSA-N 2 2 334.508 3.022 20 0 EGADLP c1c[nH+]c(N2CCCCC2)c(Nc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001159166600 1381694479 /nfs/dbraw/zinc/69/44/79/1381694479.db2.gz AVIWVTVMZYUAIN-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP Cc1cc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)cc(C)c1O ZINC001159334637 1381768012 /nfs/dbraw/zinc/76/80/12/1381768012.db2.gz XATIRHVWJWMBSJ-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP FC(F)(F)Oc1cc[nH+]c(Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001159415829 1381790448 /nfs/dbraw/zinc/79/04/48/1381790448.db2.gz BJYYEXWGRZWXLR-UHFFFAOYSA-N 2 2 338.333 3.133 20 0 EGADLP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964655 1381952561 /nfs/dbraw/zinc/95/25/61/1381952561.db2.gz VFHOUFVYMOLALB-SNAWJCMRSA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964655 1381952565 /nfs/dbraw/zinc/95/25/65/1381952565.db2.gz VFHOUFVYMOLALB-SNAWJCMRSA-N 2 2 344.503 3.227 20 0 EGADLP [NH3+][C@@H]1CCCN(c2ccccc2Nc2ccc[nH+]c2N2CCCC2)C1 ZINC001159978311 1381956599 /nfs/dbraw/zinc/95/65/99/1381956599.db2.gz NRFINSRWZXHMPE-MRXNPFEDSA-N 2 2 337.471 3.353 20 0 EGADLP Cc1cc(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)ccc1[NH+](C)C ZINC001160117139 1382002132 /nfs/dbraw/zinc/00/21/32/1382002132.db2.gz UBHYAJHXNOWPGN-CQSZACIVSA-N 2 2 328.435 3.481 20 0 EGADLP COc1cc(Nc2c(F)cccc2OC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001160153015 1382018332 /nfs/dbraw/zinc/01/83/32/1382018332.db2.gz WGMFKISCGBMFOT-UHFFFAOYSA-N 2 2 331.391 3.412 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001160327387 1382073948 /nfs/dbraw/zinc/07/39/48/1382073948.db2.gz WXSJRZPABMRQKA-APHBMKBZSA-N 2 2 346.862 3.024 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001160327387 1382073954 /nfs/dbraw/zinc/07/39/54/1382073954.db2.gz WXSJRZPABMRQKA-APHBMKBZSA-N 2 2 346.862 3.024 20 0 EGADLP FC1(F)C[NH2+]CC[C@H]1Oc1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001160349692 1382079847 /nfs/dbraw/zinc/07/98/47/1382079847.db2.gz HPLBZTNVMTTXJN-GOSISDBHSA-N 2 2 345.393 3.409 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001160533998 1382134249 /nfs/dbraw/zinc/13/42/49/1382134249.db2.gz FALOTOYAYUIMRK-PKOBYXMFSA-N 2 2 342.487 3.327 20 0 EGADLP CCCN(CCC)c1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)[nH+]cn1 ZINC001160738523 1382182929 /nfs/dbraw/zinc/18/29/29/1382182929.db2.gz KKYDGHQVMDFBLY-QWHCGFSZSA-N 2 2 345.413 3.055 20 0 EGADLP CCCN(CCC)c1cc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc[nH+]1 ZINC001160738523 1382182931 /nfs/dbraw/zinc/18/29/31/1382182931.db2.gz KKYDGHQVMDFBLY-QWHCGFSZSA-N 2 2 345.413 3.055 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541037 1382297736 /nfs/dbraw/zinc/29/77/36/1382297736.db2.gz LZDPRMLJEMGMSR-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541037 1382297740 /nfs/dbraw/zinc/29/77/40/1382297740.db2.gz LZDPRMLJEMGMSR-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP O=C(C[NH+]1CCC(Nc2[nH+]ccc3[nH]ccc32)CC1)c1ccccc1 ZINC001161142689 1382316208 /nfs/dbraw/zinc/31/62/08/1382316208.db2.gz CTYSIKXZTMUIEO-UHFFFAOYSA-N 2 2 334.423 3.322 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001161784021 1382504720 /nfs/dbraw/zinc/50/47/20/1382504720.db2.gz BINSOOKAWXMFES-UHFFFAOYSA-N 2 2 346.519 3.225 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@@H+](CCCC(C)(C)C)CC1 ZINC001161784021 1382504725 /nfs/dbraw/zinc/50/47/25/1382504725.db2.gz BINSOOKAWXMFES-UHFFFAOYSA-N 2 2 346.519 3.225 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651165 1388797423 /nfs/dbraw/zinc/79/74/23/1388797423.db2.gz QVISJEBDTMYVPE-AEFFLSMTSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328651165 1388797424 /nfs/dbraw/zinc/79/74/24/1388797424.db2.gz QVISJEBDTMYVPE-AEFFLSMTSA-N 2 2 348.535 3.385 20 0 EGADLP CC1(C)CCC(C[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001162428155 1382756723 /nfs/dbraw/zinc/75/67/23/1382756723.db2.gz YRWPLEREODKXTE-UHFFFAOYSA-N 2 2 342.487 3.260 20 0 EGADLP COc1c[nH+]c(NCCCP(CCC[NH3+])c2ccccc2)c(C)c1 ZINC001162466809 1382765915 /nfs/dbraw/zinc/76/59/15/1382765915.db2.gz JWTXDZUGMFMYGG-UHFFFAOYSA-N 2 2 345.427 3.357 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1c(Br)ccc2[nH+]ccn21 ZINC001162471987 1382768302 /nfs/dbraw/zinc/76/83/02/1382768302.db2.gz SCUKZNLOYSVXRN-RYUDHWBXSA-N 2 2 337.265 3.144 20 0 EGADLP Cc1nc(NCC[N@@H+](C)Cc2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC001162701574 1382838882 /nfs/dbraw/zinc/83/88/82/1382838882.db2.gz YSOHNICQYVCZIB-UHFFFAOYSA-N 2 2 328.435 3.347 20 0 EGADLP Cc1nc(NCC[N@H+](C)Cc2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC001162701574 1382838884 /nfs/dbraw/zinc/83/88/84/1382838884.db2.gz YSOHNICQYVCZIB-UHFFFAOYSA-N 2 2 328.435 3.347 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(C)c(F)c2)c(C)[nH+]1 ZINC001162910527 1382913531 /nfs/dbraw/zinc/91/35/31/1382913531.db2.gz PLZNORSKWABTLI-UHFFFAOYSA-N 2 2 343.446 3.364 20 0 EGADLP c1[nH+]c2cc(NCC[C@@H]3CCOC34C[NH2+]C4)ccc2n1-c1ccccc1 ZINC001163089482 1382962287 /nfs/dbraw/zinc/96/22/87/1382962287.db2.gz LMFULRCTWGCHOF-MRXNPFEDSA-N 2 2 348.450 3.206 20 0 EGADLP Cc1cc(C)cc(CNc2nc(N3CCC(C[NH3+])CC3)[nH+]cc2C)c1 ZINC001163747411 1383117647 /nfs/dbraw/zinc/11/76/47/1383117647.db2.gz GXIPGHUJHYKBMD-UHFFFAOYSA-N 2 2 339.487 3.189 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1NCc1cccc(C[NH+](C)C)c1 ZINC001163994452 1383144335 /nfs/dbraw/zinc/14/43/35/1383144335.db2.gz XMHLCGQETVFOKO-UHFFFAOYSA-N 2 2 326.444 3.345 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001164335165 1383178510 /nfs/dbraw/zinc/17/85/10/1383178510.db2.gz RKNSLUNMYFCYCJ-UHFFFAOYSA-N 2 2 344.503 3.109 20 0 EGADLP COc1cc2cc[nH+]c(N3CCCCC34CC[NH2+]CC4)c2cc1F ZINC001165340532 1383277933 /nfs/dbraw/zinc/27/79/33/1383277933.db2.gz STVQGFGWANFXAG-UHFFFAOYSA-N 2 2 329.419 3.495 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165638463 1383318219 /nfs/dbraw/zinc/31/82/19/1383318219.db2.gz SKIAJIMZYVCJES-MSOLQXFVSA-N 2 2 348.535 3.393 20 0 EGADLP COc1cc[nH+]c(N(c2cccc(C)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001165770405 1383343148 /nfs/dbraw/zinc/34/31/48/1383343148.db2.gz GJYKLYYXHMRMJQ-FXAWDEMLSA-N 2 2 339.439 3.058 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC001166401096 1383418801 /nfs/dbraw/zinc/41/88/01/1383418801.db2.gz BQSOJXXXKANZCU-DLBZAZTESA-N 2 2 340.471 3.077 20 0 EGADLP FC1(F)CC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940835 1383773753 /nfs/dbraw/zinc/77/37/53/1383773753.db2.gz NBUTVWITRIPNGT-UKBAYJJMSA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940835 1383773756 /nfs/dbraw/zinc/77/37/56/1383773756.db2.gz NBUTVWITRIPNGT-UKBAYJJMSA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001167940835 1383773759 /nfs/dbraw/zinc/77/37/59/1383773759.db2.gz NBUTVWITRIPNGT-UKBAYJJMSA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001167940835 1383773762 /nfs/dbraw/zinc/77/37/62/1383773762.db2.gz NBUTVWITRIPNGT-UKBAYJJMSA-N 2 2 347.453 3.413 20 0 EGADLP C[C@@H]1CC([NH2+]CCOc2cc[nH+]cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034992 1383801151 /nfs/dbraw/zinc/80/11/51/1383801151.db2.gz RZUUHQMEDAZSKI-QZTJIDSGSA-N 3 2 339.483 3.492 20 0 EGADLP C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001168163775 1383830534 /nfs/dbraw/zinc/83/05/34/1383830534.db2.gz BTFZBZIFHJDSMY-YSSFQJQWSA-N 2 2 343.902 3.072 20 0 EGADLP CC1CCC(N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001168215365 1383845976 /nfs/dbraw/zinc/84/59/76/1383845976.db2.gz PMOIYGXRMCHCJM-ABHNRTSZSA-N 2 2 329.488 3.378 20 0 EGADLP Fc1ccc(CN2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387408 1383892088 /nfs/dbraw/zinc/89/20/88/1383892088.db2.gz HOVBFOOBBORIRL-UHFFFAOYSA-N 2 2 345.506 3.208 20 0 EGADLP Fc1ccc(CN2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387408 1383892092 /nfs/dbraw/zinc/89/20/92/1383892092.db2.gz HOVBFOOBBORIRL-UHFFFAOYSA-N 2 2 345.506 3.208 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168498570 1383923789 /nfs/dbraw/zinc/92/37/89/1383923789.db2.gz UNHCYDRBMBGKBC-UZLBHIALSA-N 2 2 334.479 3.332 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168498570 1383923793 /nfs/dbraw/zinc/92/37/93/1383923793.db2.gz UNHCYDRBMBGKBC-UZLBHIALSA-N 2 2 334.479 3.332 20 0 EGADLP Cc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC001168746280 1383989072 /nfs/dbraw/zinc/98/90/72/1383989072.db2.gz HOKNLQQIUWWOPT-UHFFFAOYSA-N 2 2 338.455 3.168 20 0 EGADLP CCCC[C@@H](C(=O)OC)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001307756162 1384025903 /nfs/dbraw/zinc/02/59/03/1384025903.db2.gz GWCGCOHBXQMFES-IBGZPJMESA-N 2 2 341.455 3.089 20 0 EGADLP c1c(CCNc2cc(C[NH+]3CCCCC3)ccn2)[nH+]c2ccccn12 ZINC001169003026 1384084661 /nfs/dbraw/zinc/08/46/61/1384084661.db2.gz WKBYXPWWHPXPNS-UHFFFAOYSA-N 2 2 335.455 3.370 20 0 EGADLP COc1ccc2[nH+]c(C)cc(NCCc3cn4ccccc4[nH+]3)c2c1 ZINC001169009607 1384088556 /nfs/dbraw/zinc/08/85/56/1384088556.db2.gz SUKBZHUSMWGNQD-UHFFFAOYSA-N 2 2 332.407 3.276 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCN1CCC(Cc3ccccc3)CC1)C2 ZINC001169077887 1384103401 /nfs/dbraw/zinc/10/34/01/1384103401.db2.gz BGDHVTCOZURZBY-DKUWSORSSA-N 2 2 341.543 3.156 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCN1CCC(Cc3ccccc3)CC1)C2 ZINC001169077887 1384103406 /nfs/dbraw/zinc/10/34/06/1384103406.db2.gz BGDHVTCOZURZBY-DKUWSORSSA-N 2 2 341.543 3.156 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122924 1384110184 /nfs/dbraw/zinc/11/01/84/1384110184.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122924 1384110186 /nfs/dbraw/zinc/11/01/86/1384110186.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122924 1384110188 /nfs/dbraw/zinc/11/01/88/1384110188.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122924 1384110190 /nfs/dbraw/zinc/11/01/90/1384110190.db2.gz GGOWZQSDIQEKJP-JFHUYLGKSA-N 3 2 327.516 3.112 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)CC(=O)c1ccccc1O3)C2 ZINC001169143156 1384113631 /nfs/dbraw/zinc/11/36/31/1384113631.db2.gz YMIHRDIGJJYCTI-FVQHAEBGSA-N 2 2 340.467 3.112 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)CC(=O)c1ccccc1O3)C2 ZINC001169143156 1384113634 /nfs/dbraw/zinc/11/36/34/1384113634.db2.gz YMIHRDIGJJYCTI-FVQHAEBGSA-N 2 2 340.467 3.112 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152966 1384115697 /nfs/dbraw/zinc/11/56/97/1384115697.db2.gz GUIKGXZCJYVEOL-MEWRGDBZSA-N 2 2 349.519 3.085 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152966 1384115699 /nfs/dbraw/zinc/11/56/99/1384115699.db2.gz GUIKGXZCJYVEOL-MEWRGDBZSA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152966 1384115704 /nfs/dbraw/zinc/11/57/04/1384115704.db2.gz GUIKGXZCJYVEOL-MEWRGDBZSA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001169152966 1384115707 /nfs/dbraw/zinc/11/57/07/1384115707.db2.gz GUIKGXZCJYVEOL-MEWRGDBZSA-N 2 2 349.519 3.085 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155773 1384116596 /nfs/dbraw/zinc/11/65/96/1384116596.db2.gz UNXHHLSZVBCEMW-WKCHPHFGSA-N 3 2 339.527 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[NH+](Cc4ccccc4)C3)CC1)C2 ZINC001169155773 1384116598 /nfs/dbraw/zinc/11/65/98/1384116598.db2.gz UNXHHLSZVBCEMW-WKCHPHFGSA-N 3 2 339.527 3.210 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001308359852 1384121814 /nfs/dbraw/zinc/12/18/14/1384121814.db2.gz JNQMCHRDMVXWHU-QWHCGFSZSA-N 2 2 328.441 3.233 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001169255257 1384127954 /nfs/dbraw/zinc/12/79/54/1384127954.db2.gz OKHKULBBXGEEGY-LJQANCHMSA-N 2 2 347.528 3.051 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001169255257 1384127955 /nfs/dbraw/zinc/12/79/55/1384127955.db2.gz OKHKULBBXGEEGY-LJQANCHMSA-N 2 2 347.528 3.051 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1OC ZINC001308863506 1384155779 /nfs/dbraw/zinc/15/57/79/1384155779.db2.gz BXWHCVRYUJISAE-DLBZAZTESA-N 2 2 334.504 3.345 20 0 EGADLP C[NH+](C)CCC(C)(C)Nc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001169717445 1384177687 /nfs/dbraw/zinc/17/76/87/1384177687.db2.gz GYIYKYZDCSYOFW-UHFFFAOYSA-N 2 2 325.254 3.468 20 0 EGADLP C[NH+](C)CCC(C)(C)Nc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001169717445 1384177689 /nfs/dbraw/zinc/17/76/89/1384177689.db2.gz GYIYKYZDCSYOFW-UHFFFAOYSA-N 2 2 325.254 3.468 20 0 EGADLP Brc1c[nH+]c2ccccc2c1NCC12CC[NH+](CC1)CC2 ZINC001169797110 1384187030 /nfs/dbraw/zinc/18/70/30/1384187030.db2.gz YOQMLNIIZJNNNB-UHFFFAOYSA-N 2 2 346.272 3.317 20 0 EGADLP CC1(C)CC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC(C)(C)N1O ZINC001169981021 1384209811 /nfs/dbraw/zinc/20/98/11/1384209811.db2.gz QDXQEBCOXHTFKA-UHFFFAOYSA-N 2 2 346.519 3.298 20 0 EGADLP CCC(CC)C[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023213 1384220379 /nfs/dbraw/zinc/22/03/79/1384220379.db2.gz SIXRSKLSNZADTK-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP CC(C)CCC[C@H](C)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001170081055 1384231582 /nfs/dbraw/zinc/23/15/82/1384231582.db2.gz NOHQPSBUINGXJA-KRWDZBQOSA-N 2 2 329.492 3.201 20 0 EGADLP CC(C)CCC[C@H](C)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001170081055 1384231586 /nfs/dbraw/zinc/23/15/86/1384231586.db2.gz NOHQPSBUINGXJA-KRWDZBQOSA-N 2 2 329.492 3.201 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001170441357 1384318945 /nfs/dbraw/zinc/31/89/45/1384318945.db2.gz GWFRLGCAAGVXLD-SFHVURJKSA-N 2 2 342.483 3.154 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001170441357 1384318947 /nfs/dbraw/zinc/31/89/47/1384318947.db2.gz GWFRLGCAAGVXLD-SFHVURJKSA-N 2 2 342.483 3.154 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482077 1384327114 /nfs/dbraw/zinc/32/71/14/1384327114.db2.gz BBWQIVIHCGQYCX-SJORKVTESA-N 2 2 336.524 3.289 20 0 EGADLP Brc1ccc2c(c1)C[C@@H]([NH2+]CCCn1cc[nH+]c1)CC2 ZINC001170844826 1384397032 /nfs/dbraw/zinc/39/70/32/1384397032.db2.gz MTCYNNISYXEEDV-INIZCTEOSA-N 2 2 334.261 3.183 20 0 EGADLP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170974630 1384421566 /nfs/dbraw/zinc/42/15/66/1384421566.db2.gz WPIKWHMUQMCEME-QGZVFWFLSA-N 2 2 325.431 3.028 20 0 EGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001171301318 1384489409 /nfs/dbraw/zinc/48/94/09/1384489409.db2.gz PUGKPZFTCIJUJI-KBPBESRZSA-N 2 2 334.891 3.422 20 0 EGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001171301318 1384489412 /nfs/dbraw/zinc/48/94/12/1384489412.db2.gz PUGKPZFTCIJUJI-KBPBESRZSA-N 2 2 334.891 3.422 20 0 EGADLP Fc1cc(F)c2c(c1)C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)CC2 ZINC001171383620 1384508182 /nfs/dbraw/zinc/50/81/82/1384508182.db2.gz SNTGSQXOEKFMBU-KRWDZBQOSA-N 2 2 343.421 3.476 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001171507128 1384544999 /nfs/dbraw/zinc/54/49/99/1384544999.db2.gz JWPDGAFXPMDDDO-CQSZACIVSA-N 2 2 326.406 3.427 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171785041 1384635849 /nfs/dbraw/zinc/63/58/49/1384635849.db2.gz ZXTXYHZVBPRHDQ-HOTGVXAUSA-N 2 2 330.476 3.259 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171864292 1384664917 /nfs/dbraw/zinc/66/49/17/1384664917.db2.gz PTTYYCCKEASCEG-FQEVSTJZSA-N 2 2 343.515 3.003 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896337 1384673203 /nfs/dbraw/zinc/67/32/03/1384673203.db2.gz MOCYFIWYHVPTED-KRWDZBQOSA-N 2 2 336.524 3.198 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc3[nH+]ccn3c2)CC1 ZINC001171921252 1384682744 /nfs/dbraw/zinc/68/27/44/1384682744.db2.gz INFMIKJZVRISLE-UHFFFAOYSA-N 2 2 329.444 3.324 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCF)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001171942319 1384690086 /nfs/dbraw/zinc/69/00/86/1384690086.db2.gz LHDMZRHHDPALRZ-INIZCTEOSA-N 2 2 346.450 3.110 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698672 /nfs/dbraw/zinc/69/86/72/1384698672.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698673 /nfs/dbraw/zinc/69/86/73/1384698673.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698675 /nfs/dbraw/zinc/69/86/75/1384698675.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171969197 1384698676 /nfs/dbraw/zinc/69/86/76/1384698676.db2.gz UJMIUHPKWRTCRR-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172064008 1384714806 /nfs/dbraw/zinc/71/48/06/1384714806.db2.gz CZROJOPYNWFTIK-ZKTXZKFHSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172064008 1384714809 /nfs/dbraw/zinc/71/48/09/1384714809.db2.gz CZROJOPYNWFTIK-ZKTXZKFHSA-N 2 2 336.483 3.460 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076288 1384719457 /nfs/dbraw/zinc/71/94/57/1384719457.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 2 339.527 3.351 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172076288 1384719463 /nfs/dbraw/zinc/71/94/63/1384719463.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 2 339.527 3.351 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076288 1384719467 /nfs/dbraw/zinc/71/94/67/1384719467.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 2 339.527 3.351 20 0 EGADLP CN1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076288 1384719472 /nfs/dbraw/zinc/71/94/72/1384719472.db2.gz XPDJJJFGUDRMAL-ANWOVWILSA-N 2 2 339.527 3.351 20 0 EGADLP COCCC[NH+]1CCC([NH2+]C2(c3ccccc3OC)CCC2)CC1 ZINC001172250101 1384755740 /nfs/dbraw/zinc/75/57/40/1384755740.db2.gz PGAAUZGMBKJZDB-UHFFFAOYSA-N 2 2 332.488 3.165 20 0 EGADLP CC(C)COCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172457459 1384796925 /nfs/dbraw/zinc/79/69/25/1384796925.db2.gz AKLQTXSETYZANC-BBRMVZONSA-N 2 2 343.309 3.490 20 0 EGADLP c1ccc(N(C2CC[NH2+]CC2)C2CCC3(CCOCC3)CC2)[nH+]c1 ZINC001173049080 1384899746 /nfs/dbraw/zinc/89/97/46/1384899746.db2.gz KEKZJUUHYDBOAS-UHFFFAOYSA-N 2 2 329.488 3.379 20 0 EGADLP CCCOC1CCC([N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173097301 1384913164 /nfs/dbraw/zinc/91/31/64/1384913164.db2.gz BPYGAKJVTNGTTH-FWGXRIOKSA-N 2 2 343.515 3.183 20 0 EGADLP CCCOC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173097301 1384913167 /nfs/dbraw/zinc/91/31/67/1384913167.db2.gz BPYGAKJVTNGTTH-FWGXRIOKSA-N 2 2 343.515 3.183 20 0 EGADLP CCCOC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173097301 1384913170 /nfs/dbraw/zinc/91/31/70/1384913170.db2.gz BPYGAKJVTNGTTH-FWGXRIOKSA-N 2 2 343.515 3.183 20 0 EGADLP CCCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173097301 1384913174 /nfs/dbraw/zinc/91/31/74/1384913174.db2.gz BPYGAKJVTNGTTH-FWGXRIOKSA-N 2 2 343.515 3.183 20 0 EGADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001173547056 1384981299 /nfs/dbraw/zinc/98/12/99/1384981299.db2.gz NPMSROZBLFHTJL-ZDUSSCGKSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317252814 1385023295 /nfs/dbraw/zinc/02/32/95/1385023295.db2.gz IANRYCIRSKMBKI-AOCRQIFASA-N 2 2 348.535 3.220 20 0 EGADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1ccccc1Cl ZINC001317490476 1385190886 /nfs/dbraw/zinc/19/08/86/1385190886.db2.gz WPMJOKUQHQGCON-CQSZACIVSA-N 2 2 348.878 3.044 20 0 EGADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1ccccc1Cl ZINC001317490476 1385190888 /nfs/dbraw/zinc/19/08/88/1385190888.db2.gz WPMJOKUQHQGCON-CQSZACIVSA-N 2 2 348.878 3.044 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209799 1385221131 /nfs/dbraw/zinc/22/11/31/1385221131.db2.gz LWHKDULAZYWTNT-JKSUJKDBSA-N 2 2 332.492 3.060 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317525172 1385244963 /nfs/dbraw/zinc/24/49/63/1385244963.db2.gz DNADOAXIUCKKJR-HNNXBMFYSA-N 2 2 342.487 3.441 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317525172 1385244965 /nfs/dbraw/zinc/24/49/65/1385244965.db2.gz DNADOAXIUCKKJR-HNNXBMFYSA-N 2 2 342.487 3.441 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3ccc(N4CCCC4)[nH+]c3)c2)CC1 ZINC001175351813 1385262696 /nfs/dbraw/zinc/26/26/96/1385262696.db2.gz VHCNBSJYNHUMSU-UHFFFAOYSA-N 2 2 337.471 3.177 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358737 1385265183 /nfs/dbraw/zinc/26/51/83/1385265183.db2.gz OBABSWSJGHKEJA-AKBADGPISA-N 2 2 346.519 3.145 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358738 1385265348 /nfs/dbraw/zinc/26/53/48/1385265348.db2.gz OBABSWSJGHKEJA-CPRFOPHYSA-N 2 2 346.519 3.145 20 0 EGADLP CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001175462730 1385298846 /nfs/dbraw/zinc/29/88/46/1385298846.db2.gz VWAQJNMXELMZFS-LPHOPBHVSA-N 2 2 342.487 3.368 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175477764 1385304778 /nfs/dbraw/zinc/30/47/78/1385304778.db2.gz HCOATMHPNCKTAC-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501414 1385312861 /nfs/dbraw/zinc/31/28/61/1385312861.db2.gz DOYQJMJIINEIND-ZIAGYGMSSA-N 2 2 348.413 3.051 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317552745 1385314472 /nfs/dbraw/zinc/31/44/72/1385314472.db2.gz BLXKYSDCBGAADM-HNNXBMFYSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001317552745 1385314479 /nfs/dbraw/zinc/31/44/79/1385314479.db2.gz BLXKYSDCBGAADM-HNNXBMFYSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001175639298 1385359639 /nfs/dbraw/zinc/35/96/39/1385359639.db2.gz XYJJVFRJCVDKAL-CVEARBPZSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001175639298 1385359643 /nfs/dbraw/zinc/35/96/43/1385359643.db2.gz XYJJVFRJCVDKAL-CVEARBPZSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCC(C)CC1 ZINC001176350807 1385559702 /nfs/dbraw/zinc/55/97/02/1385559702.db2.gz KTXJBSYRRZVGJB-PQUAAJSLSA-N 2 2 348.535 3.352 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CCCn1cc[nH+]c1 ZINC001176811052 1385709971 /nfs/dbraw/zinc/70/99/71/1385709971.db2.gz WBLZFHDEQVVLBB-MRXNPFEDSA-N 2 2 348.516 3.190 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cn1cc[nH+]c1 ZINC001176824253 1385715429 /nfs/dbraw/zinc/71/54/29/1385715429.db2.gz BOWLGAYFCPXVGR-KRWDZBQOSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001177299977 1385903389 /nfs/dbraw/zinc/90/33/89/1385903389.db2.gz BXEXSNQLBBWQGD-KRWDZBQOSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCCNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001177351462 1385925241 /nfs/dbraw/zinc/92/52/41/1385925241.db2.gz CVJGWBLPHQDKOD-UHFFFAOYSA-N 2 2 342.487 3.083 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001177355437 1385926816 /nfs/dbraw/zinc/92/68/16/1385926816.db2.gz SJMFHDTWGMGHHC-HNNXBMFYSA-N 2 2 348.878 3.174 20 0 EGADLP CC(C)Cc1ncc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC001177803680 1386050287 /nfs/dbraw/zinc/05/02/87/1386050287.db2.gz CSGNWJASPRXUGF-MRXNPFEDSA-N 2 2 337.533 3.075 20 0 EGADLP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346909 1386193358 /nfs/dbraw/zinc/19/33/58/1386193358.db2.gz WMJIFJMYNDYAQX-UHFFFAOYSA-N 2 2 336.524 3.435 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752180 1386293926 /nfs/dbraw/zinc/29/39/26/1386293926.db2.gz JIQFALDWRWVEBP-QZTJIDSGSA-N 2 2 346.519 3.360 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752180 1386293928 /nfs/dbraw/zinc/29/39/28/1386293928.db2.gz JIQFALDWRWVEBP-QZTJIDSGSA-N 2 2 346.519 3.360 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCCCCC[NH2+]CC2CC(C)C2)c[nH+]1 ZINC001178808818 1386312899 /nfs/dbraw/zinc/31/28/99/1386312899.db2.gz VCHUASJNHDAGGP-UHFFFAOYSA-N 2 2 348.535 3.239 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2F)[nH+]1 ZINC001320056264 1386480299 /nfs/dbraw/zinc/48/02/99/1386480299.db2.gz RJRYZYVUHUHLPJ-YJBOKZPZSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)c2ccccc2F)[nH+]1 ZINC001320056264 1386480301 /nfs/dbraw/zinc/48/03/01/1386480301.db2.gz RJRYZYVUHUHLPJ-YJBOKZPZSA-N 2 2 329.419 3.139 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001179689871 1386555237 /nfs/dbraw/zinc/55/52/37/1386555237.db2.gz PNOQGJZBJZSUKH-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001179902218 1386622436 /nfs/dbraw/zinc/62/24/36/1386622436.db2.gz JIUGZBDABJPUDR-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1F ZINC001179906774 1386623890 /nfs/dbraw/zinc/62/38/90/1386623890.db2.gz KXXFZDBCARKWHY-OAHLLOKOSA-N 2 2 346.450 3.119 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001180157990 1386716851 /nfs/dbraw/zinc/71/68/51/1386716851.db2.gz BHIOZUBHDDCMNF-UHFFFAOYSA-N 2 2 334.508 3.107 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452339 1386801181 /nfs/dbraw/zinc/80/11/81/1386801181.db2.gz RNRSBUJDJSEBON-UHFFFAOYSA-N 2 2 336.524 3.366 20 0 EGADLP CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001321076024 1386802220 /nfs/dbraw/zinc/80/22/20/1386802220.db2.gz REPRCPGBUDVEAJ-SFHVURJKSA-N 2 2 339.487 3.318 20 0 EGADLP CCN(C)c1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cn1 ZINC001321076024 1386802226 /nfs/dbraw/zinc/80/22/26/1386802226.db2.gz REPRCPGBUDVEAJ-SFHVURJKSA-N 2 2 339.487 3.318 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cs1 ZINC001321595320 1386937173 /nfs/dbraw/zinc/93/71/73/1386937173.db2.gz UANIIADUZMFDFI-CYBMUJFWSA-N 2 2 331.485 3.285 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC001181515087 1387008179 /nfs/dbraw/zinc/00/81/79/1387008179.db2.gz RJDVNVQOYWQTNC-UHFFFAOYSA-N 2 2 346.441 3.330 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC001181515087 1387008188 /nfs/dbraw/zinc/00/81/88/1387008188.db2.gz RJDVNVQOYWQTNC-UHFFFAOYSA-N 2 2 346.441 3.330 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2c1OCC2(C)C ZINC001322313862 1387155867 /nfs/dbraw/zinc/15/58/67/1387155867.db2.gz XLTPBVXNSFNYGM-UHFFFAOYSA-N 2 2 348.406 3.498 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767775 1387221413 /nfs/dbraw/zinc/22/14/13/1387221413.db2.gz KSIDGCIVGSUPPS-WSTZPKSXSA-N 2 2 348.535 3.489 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182856758 1387235854 /nfs/dbraw/zinc/23/58/54/1387235854.db2.gz ZNXRITDNMVRIDX-RZQQEMMASA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182856758 1387235856 /nfs/dbraw/zinc/23/58/56/1387235856.db2.gz ZNXRITDNMVRIDX-RZQQEMMASA-N 2 2 348.535 3.099 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861584 1387249016 /nfs/dbraw/zinc/24/90/16/1387249016.db2.gz JNPLJGUTXWPCII-QAPCUYQASA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861584 1387249018 /nfs/dbraw/zinc/24/90/18/1387249018.db2.gz JNPLJGUTXWPCII-QAPCUYQASA-N 2 2 347.409 3.278 20 0 EGADLP CCn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001336687449 1389135378 /nfs/dbraw/zinc/13/53/78/1389135378.db2.gz WRCYRROOTDSPCR-IBGZPJMESA-N 2 2 326.488 3.165 20 0 EGADLP CCn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001336687449 1389135380 /nfs/dbraw/zinc/13/53/80/1389135380.db2.gz WRCYRROOTDSPCR-IBGZPJMESA-N 2 2 326.488 3.165 20 0 EGADLP CCn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC001336687449 1389135382 /nfs/dbraw/zinc/13/53/82/1389135382.db2.gz WRCYRROOTDSPCR-IBGZPJMESA-N 2 2 326.488 3.165 20 0 EGADLP CCn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001336687449 1389135386 /nfs/dbraw/zinc/13/53/86/1389135386.db2.gz WRCYRROOTDSPCR-IBGZPJMESA-N 2 2 326.488 3.165 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1cccc(Cl)c1 ZINC001339094671 1389896996 /nfs/dbraw/zinc/89/69/96/1389896996.db2.gz PWNHIWOISSUIQS-UHFFFAOYSA-N 2 2 342.786 3.247 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC001332276205 1390073651 /nfs/dbraw/zinc/07/36/51/1390073651.db2.gz YLEBHMHKUDJYTO-LEWJYISDSA-N 2 2 343.515 3.271 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC001332276205 1390073657 /nfs/dbraw/zinc/07/36/57/1390073657.db2.gz YLEBHMHKUDJYTO-LEWJYISDSA-N 2 2 343.515 3.271 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(Cl)s1 ZINC001339982726 1390203513 /nfs/dbraw/zinc/20/35/13/1390203513.db2.gz CUVXXCOJGMOKPL-UHFFFAOYSA-N 2 2 332.816 3.472 20 0 EGADLP CC(=O)CCCCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001341685900 1390517517 /nfs/dbraw/zinc/51/75/17/1390517517.db2.gz UKIIPFCNEPLEOV-UHFFFAOYSA-N 2 2 328.416 3.444 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001342809341 1390657288 /nfs/dbraw/zinc/65/72/88/1390657288.db2.gz MQJCAKXUHHTEAN-CQSZACIVSA-N 2 2 331.416 3.016 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccnc2Br)C1 ZINC001352860170 1391863582 /nfs/dbraw/zinc/86/35/82/1391863582.db2.gz BZAIUKCGWXFYIU-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccnc2Br)C1 ZINC001352860170 1391863584 /nfs/dbraw/zinc/86/35/84/1391863584.db2.gz BZAIUKCGWXFYIU-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479905826 1392472759 /nfs/dbraw/zinc/47/27/59/1392472759.db2.gz XDOCAWGKCKCMCP-ROUUACIJSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001479905826 1392472762 /nfs/dbraw/zinc/47/27/62/1392472762.db2.gz XDOCAWGKCKCMCP-ROUUACIJSA-N 2 2 332.492 3.017 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480082367 1392572502 /nfs/dbraw/zinc/57/25/02/1392572502.db2.gz UZJDSPDNFBFADN-SFHVURJKSA-N 2 2 348.535 3.270 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480082367 1392572504 /nfs/dbraw/zinc/57/25/04/1392572504.db2.gz UZJDSPDNFBFADN-SFHVURJKSA-N 2 2 348.535 3.270 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001480317318 1392677260 /nfs/dbraw/zinc/67/72/60/1392677260.db2.gz BJZZOINESZQFJF-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001480317318 1392677261 /nfs/dbraw/zinc/67/72/61/1392677261.db2.gz BJZZOINESZQFJF-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1 ZINC001480317318 1392677262 /nfs/dbraw/zinc/67/72/62/1392677262.db2.gz BJZZOINESZQFJF-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@H+]1CCCC1CCCC1 ZINC001480317318 1392677263 /nfs/dbraw/zinc/67/72/63/1392677263.db2.gz BJZZOINESZQFJF-LJQANCHMSA-N 2 2 346.519 3.283 20 0 EGADLP CC[C@@H]([NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001481285776 1393158449 /nfs/dbraw/zinc/15/84/49/1393158449.db2.gz QIFCQJPABQIUSH-MAUKXSAKSA-N 2 2 346.450 3.173 20 0 EGADLP CCC(CC)C[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001481519244 1394369646 /nfs/dbraw/zinc/36/96/46/1394369646.db2.gz YIODNCZDPLGMNX-KRWDZBQOSA-N 2 2 348.535 3.441 20 0 EGADLP CCC(CC)C[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001481519244 1394369651 /nfs/dbraw/zinc/36/96/51/1394369651.db2.gz YIODNCZDPLGMNX-KRWDZBQOSA-N 2 2 348.535 3.441 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001690023230 1404261623 /nfs/dbraw/zinc/26/16/23/1404261623.db2.gz JJQNUWHFRCFADN-INIZCTEOSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001690023230 1404261625 /nfs/dbraw/zinc/26/16/25/1404261625.db2.gz JJQNUWHFRCFADN-INIZCTEOSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001690291379 1404451807 /nfs/dbraw/zinc/45/18/07/1404451807.db2.gz VRLCOZXEKBEZLT-NXWXRZEISA-N 2 2 340.471 3.222 20 0 EGADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505754 1404618023 /nfs/dbraw/zinc/61/80/23/1404618023.db2.gz XCAVASOPCZJVOY-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505754 1404618027 /nfs/dbraw/zinc/61/80/27/1404618027.db2.gz XCAVASOPCZJVOY-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001732219087 1428467494 /nfs/dbraw/zinc/46/74/94/1428467494.db2.gz VMNWINICSKDORJ-MLGOLLRUSA-N 2 2 348.878 3.160 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001699406037 1412719431 /nfs/dbraw/zinc/71/94/31/1412719431.db2.gz QCTMYBDHTVYVJP-HOTGVXAUSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001699406037 1412719436 /nfs/dbraw/zinc/71/94/36/1412719436.db2.gz QCTMYBDHTVYVJP-HOTGVXAUSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624584 1412990287 /nfs/dbraw/zinc/99/02/87/1412990287.db2.gz UZSVTANBOLVDQR-RDTXWAMCSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624584 1412990290 /nfs/dbraw/zinc/99/02/90/1412990290.db2.gz UZSVTANBOLVDQR-RDTXWAMCSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001699624584 1412990292 /nfs/dbraw/zinc/99/02/92/1412990292.db2.gz UZSVTANBOLVDQR-RDTXWAMCSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699624584 1412990296 /nfs/dbraw/zinc/99/02/96/1412990296.db2.gz UZSVTANBOLVDQR-RDTXWAMCSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732960703 1429084501 /nfs/dbraw/zinc/08/45/01/1429084501.db2.gz ZQJNJQXKEKQNDQ-OLZOCXBDSA-N 2 2 340.402 3.171 20 0 EGADLP CCCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001713100974 1417653731 /nfs/dbraw/zinc/65/37/31/1417653731.db2.gz KDIBCKQYFPZEIG-UHFFFAOYSA-N 2 2 346.519 3.091 20 0 EGADLP CCCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001713100974 1417653735 /nfs/dbraw/zinc/65/37/35/1417653735.db2.gz KDIBCKQYFPZEIG-UHFFFAOYSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[NH+]1CCC(N(CCC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001713101570 1417655166 /nfs/dbraw/zinc/65/51/66/1417655166.db2.gz WEIYAWDBBFMJFM-MRXNPFEDSA-N 2 2 334.508 3.091 20 0 EGADLP CCCC[NH+]1CCC(N(CCC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001713101570 1417655169 /nfs/dbraw/zinc/65/51/69/1417655169.db2.gz WEIYAWDBBFMJFM-MRXNPFEDSA-N 2 2 334.508 3.091 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001713376151 1417986051 /nfs/dbraw/zinc/98/60/51/1417986051.db2.gz ANNAAGPHJUZAJI-MOPGFXCFSA-N 2 2 346.519 3.261 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H]1CCCCO1 ZINC001713548271 1418322879 /nfs/dbraw/zinc/32/28/79/1418322879.db2.gz AWEJHGFZFDUECM-SFHVURJKSA-N 2 2 347.503 3.018 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H]1CCCCO1 ZINC001713548271 1418322882 /nfs/dbraw/zinc/32/28/82/1418322882.db2.gz AWEJHGFZFDUECM-SFHVURJKSA-N 2 2 347.503 3.018 20 0 EGADLP O=C(NC[C@H]([NH2+]CCC1CC1)c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001713701964 1418460190 /nfs/dbraw/zinc/46/01/90/1418460190.db2.gz ZOLSDOFUTMKQSJ-FQEVSTJZSA-N 2 2 348.450 3.424 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001713758646 1418564562 /nfs/dbraw/zinc/56/45/62/1418564562.db2.gz FMGRIEZGIQXZNG-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCCC2)C1 ZINC001713758646 1418564566 /nfs/dbraw/zinc/56/45/66/1418564566.db2.gz FMGRIEZGIQXZNG-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713891081 1418687584 /nfs/dbraw/zinc/68/75/84/1418687584.db2.gz DXZAVOKSLDIARB-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001713891081 1418687586 /nfs/dbraw/zinc/68/75/86/1418687586.db2.gz DXZAVOKSLDIARB-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713891081 1418687588 /nfs/dbraw/zinc/68/75/88/1418687588.db2.gz DXZAVOKSLDIARB-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001713891081 1418687591 /nfs/dbraw/zinc/68/75/91/1418687591.db2.gz DXZAVOKSLDIARB-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CCC1CC1)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713892012 1418688361 /nfs/dbraw/zinc/68/83/61/1418688361.db2.gz OUWJDGQHENZLBJ-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CCC1CC1)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713892012 1418688363 /nfs/dbraw/zinc/68/83/63/1418688363.db2.gz OUWJDGQHENZLBJ-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714046250 1418841894 /nfs/dbraw/zinc/84/18/94/1418841894.db2.gz AMHFFPSSFIIYCO-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714046250 1418841896 /nfs/dbraw/zinc/84/18/96/1418841896.db2.gz AMHFFPSSFIIYCO-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145711 1418949616 /nfs/dbraw/zinc/94/96/16/1418949616.db2.gz RFMOSTVUPUEBJZ-RTBURBONSA-N 2 2 346.519 3.309 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145711 1418949620 /nfs/dbraw/zinc/94/96/20/1418949620.db2.gz RFMOSTVUPUEBJZ-RTBURBONSA-N 2 2 346.519 3.309 20 0 EGADLP C[C@H](CC(=O)NCC[N@H+](C)CCC1CCCCCC1)n1cc[nH+]c1 ZINC001714563238 1419291456 /nfs/dbraw/zinc/29/14/56/1419291456.db2.gz GCYSAODVDRNFCJ-QGZVFWFLSA-N 2 2 334.508 3.243 20 0 EGADLP C[C@H](CC(=O)NCC[N@@H+](C)CCC1CCCCCC1)n1cc[nH+]c1 ZINC001714563238 1419291457 /nfs/dbraw/zinc/29/14/57/1419291457.db2.gz GCYSAODVDRNFCJ-QGZVFWFLSA-N 2 2 334.508 3.243 20 0 EGADLP CCC[N@@H+](C/C=C/Cl)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714655850 1419436938 /nfs/dbraw/zinc/43/69/38/1419436938.db2.gz JNFBXZCKECOLAY-FPYGCLRLSA-N 2 2 346.862 3.067 20 0 EGADLP CCC[N@H+](C/C=C/Cl)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714655850 1419436940 /nfs/dbraw/zinc/43/69/40/1419436940.db2.gz JNFBXZCKECOLAY-FPYGCLRLSA-N 2 2 346.862 3.067 20 0 EGADLP CC(C)[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C(C)C)cc1 ZINC001714832405 1419543118 /nfs/dbraw/zinc/54/31/18/1419543118.db2.gz JZYGXGXQWZSUET-LJQANCHMSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C(C)C)cc1 ZINC001714832405 1419543119 /nfs/dbraw/zinc/54/31/19/1419543119.db2.gz JZYGXGXQWZSUET-LJQANCHMSA-N 2 2 342.487 3.321 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CC ZINC001716636176 1420793890 /nfs/dbraw/zinc/79/38/90/1420793890.db2.gz IGVAKTRDMQERCW-QZTJIDSGSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653442 1420807101 /nfs/dbraw/zinc/80/71/01/1420807101.db2.gz IDSSXMFMBOWHMU-GOEBONIOSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653442 1420807104 /nfs/dbraw/zinc/80/71/04/1420807104.db2.gz IDSSXMFMBOWHMU-GOEBONIOSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001716653442 1420807108 /nfs/dbraw/zinc/80/71/08/1420807108.db2.gz IDSSXMFMBOWHMU-GOEBONIOSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653442 1420807111 /nfs/dbraw/zinc/80/71/11/1420807111.db2.gz IDSSXMFMBOWHMU-GOEBONIOSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001716901823 1421034071 /nfs/dbraw/zinc/03/40/71/1421034071.db2.gz QHLWZOQXNINXFX-JXFKEZNVSA-N 2 2 348.535 3.161 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001716901823 1421034073 /nfs/dbraw/zinc/03/40/73/1421034073.db2.gz QHLWZOQXNINXFX-JXFKEZNVSA-N 2 2 348.535 3.161 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001716968307 1421055992 /nfs/dbraw/zinc/05/59/92/1421055992.db2.gz ZGSHRCPPXMADIP-NVXWUHKLSA-N 2 2 342.487 3.211 20 0 EGADLP O=C(NCC1([NH2+]Cc2ccccc2)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001717153746 1421143803 /nfs/dbraw/zinc/14/38/03/1421143803.db2.gz WIARAWQKMQVCEP-UHFFFAOYSA-N 2 2 334.423 3.005 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330968 1421265868 /nfs/dbraw/zinc/26/58/68/1421265868.db2.gz CHYYRKVBQQWLQV-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330968 1421265869 /nfs/dbraw/zinc/26/58/69/1421265869.db2.gz CHYYRKVBQQWLQV-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC1CCCCCC1 ZINC001717330968 1421265870 /nfs/dbraw/zinc/26/58/70/1421265870.db2.gz CHYYRKVBQQWLQV-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC1CCCCCC1 ZINC001717330968 1421265871 /nfs/dbraw/zinc/26/58/71/1421265871.db2.gz CHYYRKVBQQWLQV-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001717745315 1421608244 /nfs/dbraw/zinc/60/82/44/1421608244.db2.gz SYCUYCASIKPCOK-GTPINHCMSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733361268 1429545073 /nfs/dbraw/zinc/54/50/73/1429545073.db2.gz QZZIOXUXKCAPNM-IRXDYDNUSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733361268 1429545079 /nfs/dbraw/zinc/54/50/79/1429545079.db2.gz QZZIOXUXKCAPNM-IRXDYDNUSA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001733361535 1429545572 /nfs/dbraw/zinc/54/55/72/1429545572.db2.gz ZXXMAVWCYNWGGG-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3(C)CC[NH+](CC(C)C)CC3)ccn12 ZINC001733449599 1429660899 /nfs/dbraw/zinc/66/08/99/1429660899.db2.gz VVAXZUBWQUKECV-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CCCC2)C1 ZINC001733464995 1429696217 /nfs/dbraw/zinc/69/62/17/1429696217.db2.gz ZWPAFHQPASRMQS-FQEVSTJZSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CCCC2)C1 ZINC001733464995 1429696219 /nfs/dbraw/zinc/69/62/19/1429696219.db2.gz ZWPAFHQPASRMQS-FQEVSTJZSA-N 2 2 346.519 3.059 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001723313217 1424346878 /nfs/dbraw/zinc/34/68/78/1424346878.db2.gz VIQJSWNGLCXXCQ-WBVHZDCISA-N 2 2 342.487 3.115 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001724791084 1425157591 /nfs/dbraw/zinc/15/75/91/1425157591.db2.gz ZUIXPJPGEQHSHB-INIZCTEOSA-N 2 2 342.487 3.259 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731559712 1427592878 /nfs/dbraw/zinc/59/28/78/1427592878.db2.gz QXVKCINWRFBXLW-WBVHZDCISA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731559712 1427592880 /nfs/dbraw/zinc/59/28/80/1427592880.db2.gz QXVKCINWRFBXLW-WBVHZDCISA-N 2 2 348.535 3.304 20 0 EGADLP C[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)CC1CCC(C)(C)CC1 ZINC001731776987 1427894662 /nfs/dbraw/zinc/89/46/62/1427894662.db2.gz FWSYYCUXLGBQNF-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP C[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)CC1CCC(C)(C)CC1 ZINC001731776987 1427894667 /nfs/dbraw/zinc/89/46/67/1427894667.db2.gz FWSYYCUXLGBQNF-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](CC[C@H]1CCC[C@H](C)C1)C1CC1 ZINC001731884409 1428157761 /nfs/dbraw/zinc/15/77/61/1428157761.db2.gz JOJXFCDTMZHZRT-DOTOQJQBSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](CC[C@H]1CCC[C@H](C)C1)C1CC1 ZINC001731884409 1428157762 /nfs/dbraw/zinc/15/77/62/1428157762.db2.gz JOJXFCDTMZHZRT-DOTOQJQBSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001734083952 1437870640 /nfs/dbraw/zinc/87/06/40/1437870640.db2.gz WOFHYXZESBOVSQ-GOSISDBHSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001752802346 1440215243 /nfs/dbraw/zinc/21/52/43/1440215243.db2.gz DRSPVXGDKGAXBY-GOSISDBHSA-N 2 2 331.504 3.495 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001752828047 1440224288 /nfs/dbraw/zinc/22/42/88/1440224288.db2.gz XZDQANLHCMOJNK-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834410 1440227020 /nfs/dbraw/zinc/22/70/20/1440227020.db2.gz RPAPHPZFIGUDKW-FKDQEEMOSA-N 2 2 344.503 3.154 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752834410 1440227021 /nfs/dbraw/zinc/22/70/21/1440227021.db2.gz RPAPHPZFIGUDKW-FKDQEEMOSA-N 2 2 344.503 3.154 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753039556 1440275736 /nfs/dbraw/zinc/27/57/36/1440275736.db2.gz FEPWWQALDXHUAF-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753039556 1440275737 /nfs/dbraw/zinc/27/57/37/1440275737.db2.gz FEPWWQALDXHUAF-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001753411569 1440393352 /nfs/dbraw/zinc/39/33/52/1440393352.db2.gz RNIRRRNQDQMWMT-QGZVFWFLSA-N 2 2 346.519 3.243 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753422362 1440395561 /nfs/dbraw/zinc/39/55/61/1440395561.db2.gz SXOQUDMWJPERMD-XLYSIVADSA-N 2 2 338.455 3.208 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753422362 1440395562 /nfs/dbraw/zinc/39/55/62/1440395562.db2.gz SXOQUDMWJPERMD-XLYSIVADSA-N 2 2 338.455 3.208 20 0 EGADLP CC(C)CC[NH+]1CCC(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001753598816 1440445684 /nfs/dbraw/zinc/44/56/84/1440445684.db2.gz SUDFFHUSBZCDHA-QGZVFWFLSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCC[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001753674442 1440462872 /nfs/dbraw/zinc/46/28/72/1440462872.db2.gz SKGWRVFLGKEUGT-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001754080051 1440539283 /nfs/dbraw/zinc/53/92/83/1440539283.db2.gz KUUSDEDTDFYJEE-CQSZACIVSA-N 2 2 346.450 3.026 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC001754256245 1440559333 /nfs/dbraw/zinc/55/93/33/1440559333.db2.gz UJSACMGAYSQCEY-HUUCEWRRSA-N 2 2 348.878 3.172 20 0 EGADLP C[C@@H](C[NH2+]CCC1CCCCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754285562 1440564074 /nfs/dbraw/zinc/56/40/74/1440564074.db2.gz CIIKYTIBRHNXPY-IRXDYDNUSA-N 2 2 334.508 3.289 20 0 EGADLP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754314481 1440574478 /nfs/dbraw/zinc/57/44/78/1440574478.db2.gz CXFUNYIBEJYSSI-CQSZACIVSA-N 2 2 326.444 3.113 20 0 EGADLP C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754314481 1440574479 /nfs/dbraw/zinc/57/44/79/1440574479.db2.gz CXFUNYIBEJYSSI-CQSZACIVSA-N 2 2 326.444 3.113 20 0 EGADLP CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754347512 1440590089 /nfs/dbraw/zinc/59/00/89/1440590089.db2.gz ZANQITPZTVBKOV-GOEBONIOSA-N 2 2 328.460 3.097 20 0 EGADLP O=C(NCC1([NH2+]CCCC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001754518485 1440619076 /nfs/dbraw/zinc/61/90/76/1440619076.db2.gz YDWWAUQECJYFMH-UHFFFAOYSA-N 2 2 340.471 3.385 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001754578338 1440638208 /nfs/dbraw/zinc/63/82/08/1440638208.db2.gz CXPRMYCUYQZLOC-MJGOQNOKSA-N 2 2 348.535 3.295 20 0 EGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001754595619 1440641446 /nfs/dbraw/zinc/64/14/46/1440641446.db2.gz AKWXYBKPFIENOR-WMZOPIPTSA-N 2 2 347.503 3.182 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001754630477 1440647590 /nfs/dbraw/zinc/64/75/90/1440647590.db2.gz ZAOJGJJXISQXDS-QZTJIDSGSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165476 1440766855 /nfs/dbraw/zinc/76/68/55/1440766855.db2.gz MJKUNAXQTFPIRA-ROUUACIJSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755165476 1440766856 /nfs/dbraw/zinc/76/68/56/1440766856.db2.gz MJKUNAXQTFPIRA-ROUUACIJSA-N 2 2 334.508 3.069 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001755275508 1440798914 /nfs/dbraw/zinc/79/89/14/1440798914.db2.gz WPCSVKNNDYXMEL-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001755275508 1440798915 /nfs/dbraw/zinc/79/89/15/1440798915.db2.gz WPCSVKNNDYXMEL-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755317481 1440816481 /nfs/dbraw/zinc/81/64/81/1440816481.db2.gz BHMROXUWZRITRT-MSOLQXFVSA-N 2 2 342.487 3.088 20 0 EGADLP Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755317481 1440816482 /nfs/dbraw/zinc/81/64/82/1440816482.db2.gz BHMROXUWZRITRT-MSOLQXFVSA-N 2 2 342.487 3.088 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001755475568 1440859358 /nfs/dbraw/zinc/85/93/58/1440859358.db2.gz FBLSFKKDPZEGSD-JFIYKMOQSA-N 2 2 340.471 3.016 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001755507292 1440863138 /nfs/dbraw/zinc/86/31/38/1440863138.db2.gz CJINZFGPTMRUGG-LBPRGKRZSA-N 2 2 345.409 3.447 20 0 EGADLP CC(C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755680418 1440895139 /nfs/dbraw/zinc/89/51/39/1440895139.db2.gz GGHZWEVIGPLJEM-ZBFHGGJFSA-N 2 2 328.460 3.192 20 0 EGADLP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001755711438 1440903751 /nfs/dbraw/zinc/90/37/51/1440903751.db2.gz GOLLVJWAESGQTP-IPMKNSEASA-N 2 2 346.519 3.070 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001755756443 1440914068 /nfs/dbraw/zinc/91/40/68/1440914068.db2.gz DEBYPAQMHCEATM-FYFHTKEFSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001755756443 1440914069 /nfs/dbraw/zinc/91/40/69/1440914069.db2.gz DEBYPAQMHCEATM-FYFHTKEFSA-N 2 2 344.503 3.086 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755833742 1440929538 /nfs/dbraw/zinc/92/95/38/1440929538.db2.gz OWVXMRUJRWTPDE-QZTJIDSGSA-N 2 2 342.487 3.224 20 0 EGADLP CCc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001164630095 719099354 /nfs/dbraw/zinc/09/93/54/719099354.db2.gz VDRVDFYICSWXEV-RBUKOAKNSA-N 2 2 336.483 3.448 20 0 EGADLP CCc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001164630095 719099356 /nfs/dbraw/zinc/09/93/56/719099356.db2.gz VDRVDFYICSWXEV-RBUKOAKNSA-N 2 2 336.483 3.448 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N3CCC([NH+](CC)CC)CC3)c2[nH]1 ZINC001165054282 722002420 /nfs/dbraw/zinc/00/24/20/722002420.db2.gz VQPOPJPGYXYGMB-UHFFFAOYSA-N 2 2 344.459 3.050 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@H]3CCN(c4ccccc4F)C3)c[nH+]c12 ZINC000368290770 168338956 /nfs/dbraw/zinc/33/89/56/168338956.db2.gz OTCFKWBVTGRQOO-MRXNPFEDSA-N 2 2 338.430 3.398 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1ccc3c(c1)OCO3)CCC2 ZINC000370683018 168528617 /nfs/dbraw/zinc/52/86/17/168528617.db2.gz SSRKUHPUVIUOKU-RHSMWYFYSA-N 2 2 341.455 3.409 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000414973088 309112295 /nfs/dbraw/zinc/11/22/95/309112295.db2.gz BRJMFKSOTFTNKQ-LLVKDONJSA-N 2 2 337.208 3.186 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337419 283065766 /nfs/dbraw/zinc/06/57/66/283065766.db2.gz FOYNOVXYEUNZPA-UYAOXDASSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337419 283065768 /nfs/dbraw/zinc/06/57/68/283065768.db2.gz FOYNOVXYEUNZPA-UYAOXDASSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337419 283065769 /nfs/dbraw/zinc/06/57/69/283065769.db2.gz FOYNOVXYEUNZPA-UYAOXDASSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337419 283065771 /nfs/dbraw/zinc/06/57/71/283065771.db2.gz FOYNOVXYEUNZPA-UYAOXDASSA-N 2 2 345.531 3.260 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000184268096 235351199 /nfs/dbraw/zinc/35/11/99/235351199.db2.gz CCYPZZIIRYZBOD-IBGZPJMESA-N 2 2 338.499 3.253 20 0 EGADLP C[NH+](C)Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)c1 ZINC000187728930 236285618 /nfs/dbraw/zinc/28/56/18/236285618.db2.gz YMXQWEPECIABJH-LJQANCHMSA-N 2 2 338.430 3.490 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1Br ZINC000035046555 213004700 /nfs/dbraw/zinc/00/47/00/213004700.db2.gz GFGZBHVFNFWSMW-GFCCVEGCSA-N 2 2 327.266 3.204 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408304 213144891 /nfs/dbraw/zinc/14/48/91/213144891.db2.gz PODFDGPVJQTJJN-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408304 213144894 /nfs/dbraw/zinc/14/48/94/213144894.db2.gz PODFDGPVJQTJJN-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129594318 223073077 /nfs/dbraw/zinc/07/30/77/223073077.db2.gz YBSLUXCIRPFRAV-XJKSGUPXSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129594318 223073079 /nfs/dbraw/zinc/07/30/79/223073079.db2.gz YBSLUXCIRPFRAV-XJKSGUPXSA-N 2 2 346.862 3.367 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857814 216318040 /nfs/dbraw/zinc/31/80/40/216318040.db2.gz ZMZAMOOXTPLLMF-NLWGTHIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000072857814 216318042 /nfs/dbraw/zinc/31/80/42/216318042.db2.gz ZMZAMOOXTPLLMF-NLWGTHIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000072857814 216318045 /nfs/dbraw/zinc/31/80/45/216318045.db2.gz ZMZAMOOXTPLLMF-NLWGTHIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000072857814 216318048 /nfs/dbraw/zinc/31/80/48/216318048.db2.gz ZMZAMOOXTPLLMF-NLWGTHIKSA-N 2 2 345.531 3.306 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838566 239328848 /nfs/dbraw/zinc/32/88/48/239328848.db2.gz KHJUFFGAYROSFL-FXAWDEMLSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838566 239328858 /nfs/dbraw/zinc/32/88/58/239328858.db2.gz KHJUFFGAYROSFL-FXAWDEMLSA-N 2 2 325.456 3.023 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193136974 240036854 /nfs/dbraw/zinc/03/68/54/240036854.db2.gz IZLOVXUBIQSQQU-UHFFFAOYSA-N 2 2 349.500 3.382 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472650 241754614 /nfs/dbraw/zinc/75/46/14/241754614.db2.gz BFUPLXNKBWCQOI-WXYCVUISSA-N 2 2 346.862 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472650 241754617 /nfs/dbraw/zinc/75/46/17/241754617.db2.gz BFUPLXNKBWCQOI-WXYCVUISSA-N 2 2 346.862 3.044 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245636200 243141218 /nfs/dbraw/zinc/14/12/18/243141218.db2.gz VTBXWVSSMFPORV-KFKAGJAMSA-N 2 2 325.456 3.282 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000340532190 296125068 /nfs/dbraw/zinc/12/50/68/296125068.db2.gz QAIITKICDMJQDF-QGZVFWFLSA-N 2 2 333.524 3.038 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[N@H+](C)C1CC1 ZINC000264915930 247042137 /nfs/dbraw/zinc/04/21/37/247042137.db2.gz PTJPPHLWLIXDDP-AWEZNQCLSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[N@@H+](C)C1CC1 ZINC000264915930 247042139 /nfs/dbraw/zinc/04/21/39/247042139.db2.gz PTJPPHLWLIXDDP-AWEZNQCLSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049845 247161915 /nfs/dbraw/zinc/16/19/15/247161915.db2.gz LJYIDTDEVQWPTD-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049845 247161921 /nfs/dbraw/zinc/16/19/21/247161921.db2.gz LJYIDTDEVQWPTD-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049845 247161924 /nfs/dbraw/zinc/16/19/24/247161924.db2.gz LJYIDTDEVQWPTD-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000265049845 247161928 /nfs/dbraw/zinc/16/19/28/247161928.db2.gz LJYIDTDEVQWPTD-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000377268049 169004516 /nfs/dbraw/zinc/00/45/16/169004516.db2.gz RVUNYCKSXYHLLY-CQSZACIVSA-N 2 2 331.847 3.388 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000377268049 169004519 /nfs/dbraw/zinc/00/45/19/169004519.db2.gz RVUNYCKSXYHLLY-CQSZACIVSA-N 2 2 331.847 3.388 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539889 169038697 /nfs/dbraw/zinc/03/86/97/169038697.db2.gz GXOGWBPIETZAEP-HOTGVXAUSA-N 2 2 337.533 3.140 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539889 169038699 /nfs/dbraw/zinc/03/86/99/169038699.db2.gz GXOGWBPIETZAEP-HOTGVXAUSA-N 2 2 337.533 3.140 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377744230 169070809 /nfs/dbraw/zinc/07/08/09/169070809.db2.gz MKMBRFWIHNGIKG-LSDHHAIUSA-N 2 2 344.846 3.100 20 0 EGADLP CCCCC[C@H](CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378443233 169121016 /nfs/dbraw/zinc/12/10/16/169121016.db2.gz ROJJNJSVGFYIGT-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@H](CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378443233 169121019 /nfs/dbraw/zinc/12/10/19/169121019.db2.gz ROJJNJSVGFYIGT-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP O=C1Nc2ccccc2[C@H]1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000378442088 169121561 /nfs/dbraw/zinc/12/15/61/169121561.db2.gz MEBTXFQWOZNZKC-HXUWFJFHSA-N 2 2 346.434 3.282 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000091629009 218035627 /nfs/dbraw/zinc/03/56/27/218035627.db2.gz QDBRZUNNRKRGCC-NWANDNLSSA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000091629009 218035628 /nfs/dbraw/zinc/03/56/28/218035628.db2.gz QDBRZUNNRKRGCC-NWANDNLSSA-N 2 2 331.416 3.215 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043654 218108648 /nfs/dbraw/zinc/10/86/48/218108648.db2.gz PFFLJKBNIKXQCR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043654 218108651 /nfs/dbraw/zinc/10/86/51/218108651.db2.gz PFFLJKBNIKXQCR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043654 218108655 /nfs/dbraw/zinc/10/86/55/218108655.db2.gz PFFLJKBNIKXQCR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043654 218108658 /nfs/dbraw/zinc/10/86/58/218108658.db2.gz PFFLJKBNIKXQCR-APWZRJJASA-N 2 2 340.471 3.001 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3-n3cc[nH+]c3)c(C)n2n1 ZINC000093400708 218223572 /nfs/dbraw/zinc/22/35/72/218223572.db2.gz MDFOEDDIHOOVIC-HNNXBMFYSA-N 2 2 346.438 3.383 20 0 EGADLP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664008 218240860 /nfs/dbraw/zinc/24/08/60/218240860.db2.gz YBGZDNWFWPORNN-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664008 218240862 /nfs/dbraw/zinc/24/08/62/218240862.db2.gz YBGZDNWFWPORNN-KRWDZBQOSA-N 2 2 340.467 3.003 20 0 EGADLP C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095423044 218364786 /nfs/dbraw/zinc/36/47/86/218364786.db2.gz TXFIRYLMQQTCSD-KSSFIOAISA-N 2 2 327.453 3.492 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CCC(C)(C)O ZINC000267451780 251070120 /nfs/dbraw/zinc/07/01/20/251070120.db2.gz RTJYNGKKEYZXFI-UHFFFAOYSA-N 2 2 345.487 3.335 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CCC(C)(C)O ZINC000267451780 251070125 /nfs/dbraw/zinc/07/01/25/251070125.db2.gz RTJYNGKKEYZXFI-UHFFFAOYSA-N 2 2 345.487 3.335 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000268730595 252180946 /nfs/dbraw/zinc/18/09/46/252180946.db2.gz LWZWVNOSWDUALY-MRXNPFEDSA-N 2 2 327.476 3.021 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268783664 252234349 /nfs/dbraw/zinc/23/43/49/252234349.db2.gz VCGLHUJLMOVFBN-NRFANRHFSA-N 2 2 335.451 3.279 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268835713 252285156 /nfs/dbraw/zinc/28/51/56/252285156.db2.gz SFISWRLGUDCQHS-OLZOCXBDSA-N 2 2 327.457 3.449 20 0 EGADLP CC(C)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000097287728 219009345 /nfs/dbraw/zinc/00/93/45/219009345.db2.gz IEXKMBFITCWLMZ-JOCHJYFZSA-N 2 2 338.495 3.319 20 0 EGADLP CC(C)c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000097287728 219009347 /nfs/dbraw/zinc/00/93/47/219009347.db2.gz IEXKMBFITCWLMZ-JOCHJYFZSA-N 2 2 338.495 3.319 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cn1 ZINC000153717590 224146466 /nfs/dbraw/zinc/14/64/66/224146466.db2.gz AUEMLIKNSWZFJN-CYBMUJFWSA-N 2 2 327.407 3.387 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000163818548 533384632 /nfs/dbraw/zinc/38/46/32/533384632.db2.gz MVMLNFKUEUCLAX-OAHLLOKOSA-N 2 2 327.428 3.396 20 0 EGADLP C[C@@H](CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC[NH2+]CC1 ZINC000237506793 141005092 /nfs/dbraw/zinc/00/50/92/141005092.db2.gz ILIHHKUMZKLTAY-HOTGVXAUSA-N 2 2 340.471 3.075 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820628 141061822 /nfs/dbraw/zinc/06/18/22/141061822.db2.gz OUUWGJOVLCUFMS-JKSUJKDBSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000337820628 141061823 /nfs/dbraw/zinc/06/18/23/141061823.db2.gz OUUWGJOVLCUFMS-JKSUJKDBSA-N 2 2 337.423 3.231 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000346268234 141188679 /nfs/dbraw/zinc/18/86/79/141188679.db2.gz CFUWCDYNHHGONP-GDBMZVCRSA-N 2 2 336.439 3.058 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346275568 141189733 /nfs/dbraw/zinc/18/97/33/141189733.db2.gz KZFFRFWJUASJER-OAQYLSRUSA-N 3 2 338.499 3.180 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346275568 141189735 /nfs/dbraw/zinc/18/97/35/141189735.db2.gz KZFFRFWJUASJER-OAQYLSRUSA-N 3 2 338.499 3.180 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346275568 141189737 /nfs/dbraw/zinc/18/97/37/141189737.db2.gz KZFFRFWJUASJER-OAQYLSRUSA-N 3 2 338.499 3.180 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346275568 141189740 /nfs/dbraw/zinc/18/97/40/141189740.db2.gz KZFFRFWJUASJER-OAQYLSRUSA-N 3 2 338.499 3.180 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592613 141381318 /nfs/dbraw/zinc/38/13/18/141381318.db2.gz NZZLYGDFALFPOE-ICSRJNTNSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592613 141381320 /nfs/dbraw/zinc/38/13/20/141381320.db2.gz NZZLYGDFALFPOE-ICSRJNTNSA-N 3 2 344.547 3.146 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806019 549334633 /nfs/dbraw/zinc/33/46/33/549334633.db2.gz UMLLMMCVSVDHHO-HKUYNNGSSA-N 2 2 338.499 3.440 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806019 549334637 /nfs/dbraw/zinc/33/46/37/549334637.db2.gz UMLLMMCVSVDHHO-HKUYNNGSSA-N 2 2 338.499 3.440 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173616675 144044988 /nfs/dbraw/zinc/04/49/88/144044988.db2.gz DBIBRSSAMDHRIQ-AWEZNQCLSA-N 2 2 337.895 3.438 20 0 EGADLP Cc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000178707494 144075766 /nfs/dbraw/zinc/07/57/66/144075766.db2.gz BCKDNNGGCHUNHW-GHTZIAJQSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000178707494 144075767 /nfs/dbraw/zinc/07/57/67/144075767.db2.gz BCKDNNGGCHUNHW-GHTZIAJQSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351475783 144266504 /nfs/dbraw/zinc/26/65/04/144266504.db2.gz JAHCTGIYEHTCPP-IAOVAPTHSA-N 2 2 328.485 3.364 20 0 EGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351475783 144266506 /nfs/dbraw/zinc/26/65/06/144266506.db2.gz JAHCTGIYEHTCPP-IAOVAPTHSA-N 2 2 328.485 3.364 20 0 EGADLP c1cn(Cc2ccc(NCc3cnn(Cc4ccccc4)c3)[nH+]c2)c[nH+]1 ZINC000351565101 144280177 /nfs/dbraw/zinc/28/01/77/144280177.db2.gz BDJPYHVVUVOORR-UHFFFAOYSA-N 2 2 344.422 3.183 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851755 144316377 /nfs/dbraw/zinc/31/63/77/144316377.db2.gz MEGHROGJGMFLKD-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851755 144316378 /nfs/dbraw/zinc/31/63/78/144316378.db2.gz MEGHROGJGMFLKD-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)C[NH+]3CCC(C)CC3)c2)[nH+]c1C ZINC000363861650 144372424 /nfs/dbraw/zinc/37/24/24/144372424.db2.gz QSNQHQHZGUQHSI-UHFFFAOYSA-N 2 2 326.444 3.364 20 0 EGADLP Clc1cc2c(c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000341145525 155189581 /nfs/dbraw/zinc/18/95/81/155189581.db2.gz XMAMQSPXWFBGMZ-KRWDZBQOSA-N 2 2 330.815 3.323 20 0 EGADLP Clc1cc2c(c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000341145525 155189584 /nfs/dbraw/zinc/18/95/84/155189584.db2.gz XMAMQSPXWFBGMZ-KRWDZBQOSA-N 2 2 330.815 3.323 20 0 EGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(F)cc1F ZINC000116396529 152058363 /nfs/dbraw/zinc/05/83/63/152058363.db2.gz LAAOXFDOIMVLAL-BLLLJJGKSA-N 2 2 341.446 3.248 20 0 EGADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000118887526 152159030 /nfs/dbraw/zinc/15/90/30/152159030.db2.gz ZETRDHGNJKWUKK-UHFFFAOYSA-N 2 2 348.406 3.072 20 0 EGADLP Cc1cccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000119095039 152172461 /nfs/dbraw/zinc/17/24/61/152172461.db2.gz WNQRXTOEKDLUCM-UHFFFAOYSA-N 2 2 330.395 3.174 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc[nH+]cc1C)Cc1ccccc1 ZINC000121328662 152342986 /nfs/dbraw/zinc/34/29/86/152342986.db2.gz CSYWWIWQRRNFGL-SFHVURJKSA-N 2 2 340.471 3.465 20 0 EGADLP CCCCn1c(SC[C@@H]2CC[N@H+](C)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000190951360 153168031 /nfs/dbraw/zinc/16/80/31/153168031.db2.gz WDUNINHLXRGURF-HUUCEWRRSA-N 2 2 339.553 3.135 20 0 EGADLP CCCCn1c(SC[C@@H]2CC[N@@H+](C)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000190951360 153168037 /nfs/dbraw/zinc/16/80/37/153168037.db2.gz WDUNINHLXRGURF-HUUCEWRRSA-N 2 2 339.553 3.135 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193982765 153316572 /nfs/dbraw/zinc/31/65/72/153316572.db2.gz ULBFZVREJFROIF-VAMGGRTRSA-N 2 2 344.474 3.337 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270210 154022402 /nfs/dbraw/zinc/02/24/02/154022402.db2.gz HTEURVPQKRKOST-DRZSPHRISA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Br)cs1 ZINC000300270210 154022405 /nfs/dbraw/zinc/02/24/05/154022405.db2.gz HTEURVPQKRKOST-DRZSPHRISA-N 2 2 345.306 3.024 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000303991748 154063601 /nfs/dbraw/zinc/06/36/01/154063601.db2.gz ZGNMPOJCGHKYLY-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000303991748 154063609 /nfs/dbraw/zinc/06/36/09/154063609.db2.gz ZGNMPOJCGHKYLY-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000305774261 154116610 /nfs/dbraw/zinc/11/66/10/154116610.db2.gz YYDKJRVOQSVEQZ-RYGJVYDSSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000305774261 154116619 /nfs/dbraw/zinc/11/66/19/154116619.db2.gz YYDKJRVOQSVEQZ-RYGJVYDSSA-N 2 2 328.431 3.112 20 0 EGADLP COC(=O)c1coc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311076520 154147011 /nfs/dbraw/zinc/14/70/11/154147011.db2.gz APMJLVOEGCCOQI-FQEVSTJZSA-N 2 2 342.439 3.068 20 0 EGADLP COC(=O)c1coc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000311076520 154147015 /nfs/dbraw/zinc/14/70/15/154147015.db2.gz APMJLVOEGCCOQI-FQEVSTJZSA-N 2 2 342.439 3.068 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000336813855 154214193 /nfs/dbraw/zinc/21/41/93/154214193.db2.gz VRMUAAXNWOLQNL-YPMHNXCESA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)c1 ZINC000336813855 154214195 /nfs/dbraw/zinc/21/41/95/154214195.db2.gz VRMUAAXNWOLQNL-YPMHNXCESA-N 2 2 327.266 3.030 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1OC ZINC000337380566 154321595 /nfs/dbraw/zinc/32/15/95/154321595.db2.gz JACDYGAKDPUZFB-CVEARBPZSA-N 2 2 343.471 3.307 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000337458268 154362652 /nfs/dbraw/zinc/36/26/52/154362652.db2.gz QBHISJQGYJECJF-GOSISDBHSA-N 2 2 331.504 3.014 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000337458268 154362655 /nfs/dbraw/zinc/36/26/55/154362655.db2.gz QBHISJQGYJECJF-GOSISDBHSA-N 2 2 331.504 3.014 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308089 156047740 /nfs/dbraw/zinc/04/77/40/156047740.db2.gz HJSZCVWLPIPNIW-MSOLQXFVSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308089 156047744 /nfs/dbraw/zinc/04/77/44/156047744.db2.gz HJSZCVWLPIPNIW-MSOLQXFVSA-N 2 2 349.906 3.111 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C[NH3+])C1 ZINC000346830136 156155261 /nfs/dbraw/zinc/15/52/61/156155261.db2.gz JXBLVTTUAYCKRW-HZPDHXFCSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)[C@@H](C[NH3+])C1 ZINC000346830136 156155267 /nfs/dbraw/zinc/15/52/67/156155267.db2.gz JXBLVTTUAYCKRW-HZPDHXFCSA-N 2 2 334.460 3.492 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000348889047 156277144 /nfs/dbraw/zinc/27/71/44/156277144.db2.gz BSOIEBFGMLKBEX-HXUWFJFHSA-N 2 2 338.451 3.227 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000348889047 156277147 /nfs/dbraw/zinc/27/71/47/156277147.db2.gz BSOIEBFGMLKBEX-HXUWFJFHSA-N 2 2 338.451 3.227 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649179 157204237 /nfs/dbraw/zinc/20/42/37/157204237.db2.gz MPXWIBNAZJYXSL-MLGOLLRUSA-N 2 2 337.826 3.126 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000365649179 157204239 /nfs/dbraw/zinc/20/42/39/157204239.db2.gz MPXWIBNAZJYXSL-MLGOLLRUSA-N 2 2 337.826 3.126 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc(C)ccc1OC ZINC000357784194 286912213 /nfs/dbraw/zinc/91/22/13/286912213.db2.gz LLEDJJPYLGITSS-PKOBYXMFSA-N 2 2 334.504 3.137 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(C4CCCC4)n3)C2)CC1 ZINC000107370529 162065589 /nfs/dbraw/zinc/06/55/89/162065589.db2.gz GYPUTXWEFVLXQN-GOSISDBHSA-N 2 2 348.560 3.013 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(C4CCCC4)n3)C2)CC1 ZINC000107370529 162065594 /nfs/dbraw/zinc/06/55/94/162065594.db2.gz GYPUTXWEFVLXQN-GOSISDBHSA-N 2 2 348.560 3.013 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000109787296 162111616 /nfs/dbraw/zinc/11/16/16/162111616.db2.gz NGQIPUDKBAMXIJ-UHFFFAOYSA-N 2 2 331.504 3.357 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000109787296 162111619 /nfs/dbraw/zinc/11/16/19/162111619.db2.gz NGQIPUDKBAMXIJ-UHFFFAOYSA-N 2 2 331.504 3.357 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000112634146 162184120 /nfs/dbraw/zinc/18/41/20/162184120.db2.gz LYKWDHRRWZXUQX-KRWDZBQOSA-N 2 2 337.423 3.184 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCCO2 ZINC000126588850 162306803 /nfs/dbraw/zinc/30/68/03/162306803.db2.gz YZHHBFYNAQGOQW-HXUWFJFHSA-N 2 2 346.515 3.460 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139138 162904532 /nfs/dbraw/zinc/90/45/32/162904532.db2.gz CXMZQOFRILDFRW-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139138 162904534 /nfs/dbraw/zinc/90/45/34/162904534.db2.gz CXMZQOFRILDFRW-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)c[nH+]1 ZINC000354330003 166003766 /nfs/dbraw/zinc/00/37/66/166003766.db2.gz NBFJAERIXKQEQL-QZTJIDSGSA-N 2 2 334.410 3.150 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000337278289 163192628 /nfs/dbraw/zinc/19/26/28/163192628.db2.gz GBAGOVNOYWCWDB-VIFPVBQESA-N 2 2 342.187 3.028 20 0 EGADLP COc1cccc(Cl)c1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000338348216 163218432 /nfs/dbraw/zinc/21/84/32/163218432.db2.gz NBNBGQZWFKEHFI-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000338564207 163275228 /nfs/dbraw/zinc/27/52/28/163275228.db2.gz HACRYXBJVCCGJO-INIZCTEOSA-N 2 2 343.471 3.398 20 0 EGADLP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000338564207 163275230 /nfs/dbraw/zinc/27/52/30/163275230.db2.gz HACRYXBJVCCGJO-INIZCTEOSA-N 2 2 343.471 3.398 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2cnn(C)c2)c1 ZINC000338945892 163398733 /nfs/dbraw/zinc/39/87/33/163398733.db2.gz XVWJREDEFHJFRS-FQEVSTJZSA-N 2 2 348.450 3.444 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2cnn(C)c2)c1 ZINC000338945892 163398735 /nfs/dbraw/zinc/39/87/35/163398735.db2.gz XVWJREDEFHJFRS-FQEVSTJZSA-N 2 2 348.450 3.444 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C12CCC2 ZINC000344034103 164087275 /nfs/dbraw/zinc/08/72/75/164087275.db2.gz NFCZDAKUXVRALD-DLBZAZTESA-N 2 2 338.561 3.285 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560332 164215008 /nfs/dbraw/zinc/21/50/08/164215008.db2.gz UITIZLDLGUUYDB-LCLWPZTBSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000345560332 164215011 /nfs/dbraw/zinc/21/50/11/164215011.db2.gz UITIZLDLGUUYDB-LCLWPZTBSA-N 2 2 349.563 3.218 20 0 EGADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000346080534 164331957 /nfs/dbraw/zinc/33/19/57/164331957.db2.gz DDAYOLSZRVMPBZ-MRXNPFEDSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000346080534 164331960 /nfs/dbraw/zinc/33/19/60/164331960.db2.gz DDAYOLSZRVMPBZ-MRXNPFEDSA-N 2 2 339.439 3.231 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180303 164358070 /nfs/dbraw/zinc/35/80/70/164358070.db2.gz PWQTWSFISDEZLD-BEFAXECRSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180303 164358071 /nfs/dbraw/zinc/35/80/71/164358071.db2.gz PWQTWSFISDEZLD-BEFAXECRSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180303 164358072 /nfs/dbraw/zinc/35/80/72/164358072.db2.gz PWQTWSFISDEZLD-BEFAXECRSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)sc2C1 ZINC000346180303 164358073 /nfs/dbraw/zinc/35/80/73/164358073.db2.gz PWQTWSFISDEZLD-BEFAXECRSA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(C(F)F)CC3)sc2C1 ZINC000346187519 164359305 /nfs/dbraw/zinc/35/93/05/164359305.db2.gz BGZKBUQQIJPTAD-UHFFFAOYSA-N 2 2 329.460 3.387 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(C(F)F)CC3)sc2C1 ZINC000346187519 164359306 /nfs/dbraw/zinc/35/93/06/164359306.db2.gz BGZKBUQQIJPTAD-UHFFFAOYSA-N 2 2 329.460 3.387 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503831 164388087 /nfs/dbraw/zinc/38/80/87/164388087.db2.gz WMGZJUXVBKXZRQ-QRWLVFNGSA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccnc2)cc1 ZINC000346503831 164388089 /nfs/dbraw/zinc/38/80/89/164388089.db2.gz WMGZJUXVBKXZRQ-QRWLVFNGSA-N 2 2 325.431 3.384 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[NH+](CCc4cccs4)CC3)n21 ZINC000350436284 165051586 /nfs/dbraw/zinc/05/15/86/165051586.db2.gz BKEZBVBQFUVFPH-UHFFFAOYSA-N 2 2 340.496 3.065 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748579 165068660 /nfs/dbraw/zinc/06/86/60/165068660.db2.gz QSEPLVKYEPRQMN-JKSUJKDBSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748579 165068665 /nfs/dbraw/zinc/06/86/65/165068665.db2.gz QSEPLVKYEPRQMN-JKSUJKDBSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748579 165068669 /nfs/dbraw/zinc/06/86/69/165068669.db2.gz QSEPLVKYEPRQMN-JKSUJKDBSA-N 2 2 340.462 3.235 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(CC(F)F)c2)C1 ZINC000350748579 165068675 /nfs/dbraw/zinc/06/86/75/165068675.db2.gz QSEPLVKYEPRQMN-JKSUJKDBSA-N 2 2 340.462 3.235 20 0 EGADLP CC1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000351885932 165137436 /nfs/dbraw/zinc/13/74/36/165137436.db2.gz AUPBHOMUYFWYQS-UHFFFAOYSA-N 2 2 333.545 3.026 20 0 EGADLP CC1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000351885932 165137438 /nfs/dbraw/zinc/13/74/38/165137438.db2.gz AUPBHOMUYFWYQS-UHFFFAOYSA-N 2 2 333.545 3.026 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000351936204 165156306 /nfs/dbraw/zinc/15/63/06/165156306.db2.gz KRAXNWPIXXGFQK-UHFFFAOYSA-N 2 2 335.411 3.265 20 0 EGADLP COC1CCC(C)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000355145068 166116994 /nfs/dbraw/zinc/11/69/94/166116994.db2.gz DIGDQBFEAZCXHN-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000355209208 166135032 /nfs/dbraw/zinc/13/50/32/166135032.db2.gz ZYFLXHHBLWTXPM-KRWDZBQOSA-N 2 2 342.439 3.068 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000355209208 166135033 /nfs/dbraw/zinc/13/50/33/166135033.db2.gz ZYFLXHHBLWTXPM-KRWDZBQOSA-N 2 2 342.439 3.068 20 0 EGADLP Cc1cccc2ncc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000355300162 166157516 /nfs/dbraw/zinc/15/75/16/166157516.db2.gz ZJYPXGWIMOSGJG-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccc2ncc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000355300162 166157519 /nfs/dbraw/zinc/15/75/19/166157519.db2.gz ZJYPXGWIMOSGJG-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccc2ncc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000355300162 166157521 /nfs/dbraw/zinc/15/75/21/166157521.db2.gz ZJYPXGWIMOSGJG-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccc2ncc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000355300162 166157522 /nfs/dbraw/zinc/15/75/22/166157522.db2.gz ZJYPXGWIMOSGJG-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cn2cc[nH+]c12 ZINC000355500459 166222653 /nfs/dbraw/zinc/22/26/53/166222653.db2.gz VKVIOUKGCZNXEK-QGZVFWFLSA-N 2 2 326.444 3.378 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cn2cc[nH+]c12 ZINC000355500459 166222656 /nfs/dbraw/zinc/22/26/56/166222656.db2.gz VKVIOUKGCZNXEK-QGZVFWFLSA-N 2 2 326.444 3.378 20 0 EGADLP CC[C@@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C)[N@H+](C)Cc1ccccc1 ZINC000355963085 166360817 /nfs/dbraw/zinc/36/08/17/166360817.db2.gz UGKBIDOEIXHUPP-DLBZAZTESA-N 2 2 328.460 3.134 20 0 EGADLP CC[C@@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000355963085 166360819 /nfs/dbraw/zinc/36/08/19/166360819.db2.gz UGKBIDOEIXHUPP-DLBZAZTESA-N 2 2 328.460 3.134 20 0 EGADLP COCc1cc(NCC(C)(C)C[NH+]2CCCC2)c2cc(F)ccc2[nH+]1 ZINC000357683181 166743672 /nfs/dbraw/zinc/74/36/72/166743672.db2.gz HNLFZGHDRHWHMT-UHFFFAOYSA-N 2 2 345.462 3.476 20 0 EGADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000359080544 167062171 /nfs/dbraw/zinc/06/21/71/167062171.db2.gz QUWDPNJKIVUGAM-TZIWHRDSSA-N 3 2 342.531 3.176 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000359527395 167180024 /nfs/dbraw/zinc/18/00/24/167180024.db2.gz XJDZYNNRISFIMV-MRXNPFEDSA-N 2 2 332.492 3.307 20 0 EGADLP FC(F)Oc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000359551217 167189710 /nfs/dbraw/zinc/18/97/10/167189710.db2.gz JTSIRANYPLYVCB-UHFFFAOYSA-N 2 2 347.409 3.437 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000359766026 167226710 /nfs/dbraw/zinc/22/67/10/167226710.db2.gz JALWUDKUKRFVER-FXAWDEMLSA-N 2 2 338.499 3.463 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cn1 ZINC000359766026 167226714 /nfs/dbraw/zinc/22/67/14/167226714.db2.gz JALWUDKUKRFVER-FXAWDEMLSA-N 2 2 338.499 3.463 20 0 EGADLP Cc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000359835251 167245249 /nfs/dbraw/zinc/24/52/49/167245249.db2.gz ISAMEIBUMXUKQQ-SFHVURJKSA-N 2 2 336.483 3.020 20 0 EGADLP Cc1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2c([nH+]1)CCCC2 ZINC000359835251 167245250 /nfs/dbraw/zinc/24/52/50/167245250.db2.gz ISAMEIBUMXUKQQ-SFHVURJKSA-N 2 2 336.483 3.020 20 0 EGADLP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000359900426 167262378 /nfs/dbraw/zinc/26/23/78/167262378.db2.gz NHNLWQKCMAUEGT-KDURUIRLSA-N 2 2 334.467 3.231 20 0 EGADLP Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000359900426 167262382 /nfs/dbraw/zinc/26/23/82/167262382.db2.gz NHNLWQKCMAUEGT-KDURUIRLSA-N 2 2 334.467 3.231 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccsc2S1 ZINC000360340362 167307393 /nfs/dbraw/zinc/30/73/93/167307393.db2.gz YVUBXPORVBNQEG-IUODEOHRSA-N 2 2 326.531 3.110 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367436620 168225344 /nfs/dbraw/zinc/22/53/44/168225344.db2.gz GNRYQWPDGKTMBY-PKOBYXMFSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367436620 168225346 /nfs/dbraw/zinc/22/53/46/168225346.db2.gz GNRYQWPDGKTMBY-PKOBYXMFSA-N 3 2 338.499 3.220 20 0 EGADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000367590878 168246594 /nfs/dbraw/zinc/24/65/94/168246594.db2.gz WRYJCQAGIHVTPI-UWJYYQICSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000367590878 168246595 /nfs/dbraw/zinc/24/65/95/168246595.db2.gz WRYJCQAGIHVTPI-UWJYYQICSA-N 2 2 338.499 3.218 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000124240418 222397979 /nfs/dbraw/zinc/39/79/79/222397979.db2.gz RTRTXFBNBVNSFE-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000124240418 222397980 /nfs/dbraw/zinc/39/79/80/222397980.db2.gz RTRTXFBNBVNSFE-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1F ZINC000180266781 265399103 /nfs/dbraw/zinc/39/91/03/265399103.db2.gz LKOBXVBKCVJUBC-LJQANCHMSA-N 2 2 342.462 3.213 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)[N@H+](C)C1CC1 ZINC000223234384 266196141 /nfs/dbraw/zinc/19/61/41/266196141.db2.gz XWDFRSOPEGMZBB-BLLLJJGKSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCc2cc(Br)ccc2C1)[N@@H+](C)C1CC1 ZINC000223234384 266196142 /nfs/dbraw/zinc/19/61/42/266196142.db2.gz XWDFRSOPEGMZBB-BLLLJJGKSA-N 2 2 337.305 3.379 20 0 EGADLP Clc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000265985644 266272281 /nfs/dbraw/zinc/27/22/81/266272281.db2.gz DBBSRUZTNIMTFT-OAHLLOKOSA-N 2 2 345.874 3.042 20 0 EGADLP Clc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000265985644 266272283 /nfs/dbraw/zinc/27/22/83/266272283.db2.gz DBBSRUZTNIMTFT-OAHLLOKOSA-N 2 2 345.874 3.042 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269787395 266358536 /nfs/dbraw/zinc/35/85/36/266358536.db2.gz XNAZCOVILQWMKY-ZDUSSCGKSA-N 2 2 343.381 3.253 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000269787395 266358541 /nfs/dbraw/zinc/35/85/41/266358541.db2.gz XNAZCOVILQWMKY-ZDUSSCGKSA-N 2 2 343.381 3.253 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCSC3)[nH+]c12 ZINC000273393701 267033223 /nfs/dbraw/zinc/03/32/23/267033223.db2.gz FCIQUSASAUTZGR-CYBMUJFWSA-N 2 2 340.290 3.043 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccn3C)[nH+]c12 ZINC000273489301 267047478 /nfs/dbraw/zinc/04/74/78/267047478.db2.gz MZKNNEVOOYVBKO-UHFFFAOYSA-N 2 2 347.260 3.076 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Br)ncc1F ZINC000273838768 267121593 /nfs/dbraw/zinc/12/15/93/267121593.db2.gz HHALWARSRAPPIZ-JTQLQIEISA-N 2 2 332.261 3.222 20 0 EGADLP Cc1ccc2c(c1)nc(C[NH2+]C1CCN(c3cccc[nH+]3)CC1)n2C ZINC000274468860 267242844 /nfs/dbraw/zinc/24/28/44/267242844.db2.gz WZFHLJZLPDAVQT-UHFFFAOYSA-N 2 2 335.455 3.035 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274783570 267286771 /nfs/dbraw/zinc/28/67/71/267286771.db2.gz AEGXINXGHYAVAJ-PKOBYXMFSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274783570 267286773 /nfs/dbraw/zinc/28/67/73/267286773.db2.gz AEGXINXGHYAVAJ-PKOBYXMFSA-N 2 2 326.488 3.464 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823223 267292559 /nfs/dbraw/zinc/29/25/59/267292559.db2.gz KKWCLJCDTNFOFX-YOEHRIQHSA-N 2 2 348.441 3.358 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823223 267292560 /nfs/dbraw/zinc/29/25/60/267292560.db2.gz KKWCLJCDTNFOFX-YOEHRIQHSA-N 2 2 348.441 3.358 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)o2)cc1 ZINC000274864842 267298560 /nfs/dbraw/zinc/29/85/60/267298560.db2.gz TYURLOQBWOTRLR-CQSZACIVSA-N 2 2 339.395 3.108 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274865295 267298685 /nfs/dbraw/zinc/29/86/85/267298685.db2.gz VLJOXSCDZPNHJC-CGBFIWBNSA-N 2 2 345.531 3.180 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274865295 267298687 /nfs/dbraw/zinc/29/86/87/267298687.db2.gz VLJOXSCDZPNHJC-CGBFIWBNSA-N 2 2 345.531 3.180 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cc(O)cc(F)c3)C1)CCCC2 ZINC000275629249 267393795 /nfs/dbraw/zinc/39/37/95/267393795.db2.gz MUIBSEYWYFHMRO-INIZCTEOSA-N 2 2 329.419 3.362 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cc(O)cc(F)c3)C1)CCCC2 ZINC000275629249 267393800 /nfs/dbraw/zinc/39/38/00/267393800.db2.gz MUIBSEYWYFHMRO-INIZCTEOSA-N 2 2 329.419 3.362 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000278570057 268041416 /nfs/dbraw/zinc/04/14/16/268041416.db2.gz COKCBSKDUKLRJQ-UHFFFAOYSA-N 2 2 346.475 3.239 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000271887720 275238915 /nfs/dbraw/zinc/23/89/15/275238915.db2.gz WJWRWBJRVSYXMC-GOEBONIOSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000271887720 275238916 /nfs/dbraw/zinc/23/89/16/275238916.db2.gz WJWRWBJRVSYXMC-GOEBONIOSA-N 2 2 344.459 3.069 20 0 EGADLP CCO[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000272264449 275243603 /nfs/dbraw/zinc/24/36/03/275243603.db2.gz MHAVFEFQRSKWOW-ZWKOTPCHSA-N 2 2 346.519 3.228 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000278828074 275278574 /nfs/dbraw/zinc/27/85/74/275278574.db2.gz CKHSJDKFEGANJR-IBGZPJMESA-N 2 2 333.476 3.169 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279806041 275361221 /nfs/dbraw/zinc/36/12/21/275361221.db2.gz WYLTYKUSDJQCTG-UXHICEINSA-N 2 2 335.451 3.346 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000279806041 275361222 /nfs/dbraw/zinc/36/12/22/275361222.db2.gz WYLTYKUSDJQCTG-UXHICEINSA-N 2 2 335.451 3.346 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000279835763 275364415 /nfs/dbraw/zinc/36/44/15/275364415.db2.gz ZJTPOKKJNOEKTD-OAQYLSRUSA-N 2 2 335.451 3.277 20 0 EGADLP Brc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000348184793 275374375 /nfs/dbraw/zinc/37/43/75/275374375.db2.gz IMHNXVVBCUCWSY-NHYWBVRUSA-N 2 2 332.245 3.238 20 0 EGADLP CCOC(=O)[C@H](CC)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280264704 275429284 /nfs/dbraw/zinc/42/92/84/275429284.db2.gz PZWWUBJBESLTAM-KRWDZBQOSA-N 2 2 329.444 3.323 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)CCO1 ZINC000285336238 275865930 /nfs/dbraw/zinc/86/59/30/275865930.db2.gz UNFLTXZBPBOTCH-FNHZYXHNSA-N 2 2 327.428 3.013 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000285571735 275890736 /nfs/dbraw/zinc/89/07/36/275890736.db2.gz GRBHOZZLDNCQJF-POZUXBRTSA-N 2 2 340.471 3.216 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000285993204 275938450 /nfs/dbraw/zinc/93/84/50/275938450.db2.gz IETMBZHRGJSYAC-ZDUSSCGKSA-N 2 2 333.457 3.473 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H](C)C1 ZINC000287520044 276128180 /nfs/dbraw/zinc/12/81/80/276128180.db2.gz OMJBMOZUZCQBSZ-YLJYHZDGSA-N 2 2 339.483 3.481 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H](C)C1 ZINC000287520044 276128181 /nfs/dbraw/zinc/12/81/81/276128181.db2.gz OMJBMOZUZCQBSZ-YLJYHZDGSA-N 2 2 339.483 3.481 20 0 EGADLP Cn1c(CCC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)[nH+]c2ccccc21 ZINC000287731725 276151665 /nfs/dbraw/zinc/15/16/65/276151665.db2.gz PETIDCPOVDIQQH-SWLSCSKDSA-N 2 2 341.377 3.205 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC000287781810 276156720 /nfs/dbraw/zinc/15/67/20/276156720.db2.gz SEBKRQDOBNFYNL-IUODEOHRSA-N 2 2 343.324 3.211 20 0 EGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc2O1 ZINC000289031696 276281209 /nfs/dbraw/zinc/28/12/09/276281209.db2.gz OWNIIRXEMQHKLA-UHFFFAOYSA-N 2 2 334.423 3.441 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)Cc2ccccc2O1 ZINC000289031696 276281211 /nfs/dbraw/zinc/28/12/11/276281211.db2.gz OWNIIRXEMQHKLA-UHFFFAOYSA-N 2 2 334.423 3.441 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000289068863 276286644 /nfs/dbraw/zinc/28/66/44/276286644.db2.gz ADDPDEIYEHBAAH-QGZVFWFLSA-N 2 2 349.272 3.408 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289130080 276294786 /nfs/dbraw/zinc/29/47/86/276294786.db2.gz OLYDGKIIHQTSSF-MRXNPFEDSA-N 2 2 346.496 3.419 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289130080 276294787 /nfs/dbraw/zinc/29/47/87/276294787.db2.gz OLYDGKIIHQTSSF-MRXNPFEDSA-N 2 2 346.496 3.419 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000289259592 276312556 /nfs/dbraw/zinc/31/25/56/276312556.db2.gz ODZQQGWNMGCBNL-ZIFCJYIRSA-N 2 2 341.503 3.242 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000289259592 276312558 /nfs/dbraw/zinc/31/25/58/276312558.db2.gz ODZQQGWNMGCBNL-ZIFCJYIRSA-N 2 2 341.503 3.242 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C12CCC2 ZINC000247976750 276354936 /nfs/dbraw/zinc/35/49/36/276354936.db2.gz HXMSKODFHCOZGR-FRYIKTPZSA-N 2 2 343.515 3.229 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C12CCC2 ZINC000247976750 276354940 /nfs/dbraw/zinc/35/49/40/276354940.db2.gz HXMSKODFHCOZGR-FRYIKTPZSA-N 2 2 343.515 3.229 20 0 EGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1CCOCC1 ZINC000289737052 276385854 /nfs/dbraw/zinc/38/58/54/276385854.db2.gz DSFINWWXYQBZPJ-FYWRMAATSA-N 2 2 340.414 3.003 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cs1 ZINC000289782972 276393575 /nfs/dbraw/zinc/39/35/75/276393575.db2.gz MWIBDIMNCQOOOG-CQSZACIVSA-N 2 2 349.500 3.081 20 0 EGADLP CCS[C@H](C)c1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374168948 276399782 /nfs/dbraw/zinc/39/97/82/276399782.db2.gz AADXEDQFKDEWDD-CQSZACIVSA-N 2 2 338.521 3.192 20 0 EGADLP CCS[C@H](C)c1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374168948 276399783 /nfs/dbraw/zinc/39/97/83/276399783.db2.gz AADXEDQFKDEWDD-CQSZACIVSA-N 2 2 338.521 3.192 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000236958659 276693352 /nfs/dbraw/zinc/69/33/52/276693352.db2.gz KFVWCLNCGRETNF-AUUYWEPGSA-N 2 2 342.487 3.136 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000121479774 277303304 /nfs/dbraw/zinc/30/33/04/277303304.db2.gz VBBOAOTVAZSFGQ-AQNXPRMDSA-N 2 2 340.511 3.371 20 0 EGADLP CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000121479774 277303307 /nfs/dbraw/zinc/30/33/07/277303307.db2.gz VBBOAOTVAZSFGQ-AQNXPRMDSA-N 2 2 340.511 3.371 20 0 EGADLP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261641584 278307206 /nfs/dbraw/zinc/30/72/06/278307206.db2.gz IRVMTPUKCYTLIY-TZMCWYRMSA-N 2 2 328.287 3.034 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935508 279336379 /nfs/dbraw/zinc/33/63/79/279336379.db2.gz ZJCQPXIIAYTWJJ-KDOFPFPSSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935508 279336383 /nfs/dbraw/zinc/33/63/83/279336383.db2.gz ZJCQPXIIAYTWJJ-KDOFPFPSSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935508 279336386 /nfs/dbraw/zinc/33/63/86/279336386.db2.gz ZJCQPXIIAYTWJJ-KDOFPFPSSA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935508 279336389 /nfs/dbraw/zinc/33/63/89/279336389.db2.gz ZJCQPXIIAYTWJJ-KDOFPFPSSA-N 2 2 344.890 3.267 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288695 280333907 /nfs/dbraw/zinc/33/39/07/280333907.db2.gz MRMMVJJYFLGVRE-WRSAYESZSA-N 2 2 329.444 3.445 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000359288695 280333908 /nfs/dbraw/zinc/33/39/08/280333908.db2.gz MRMMVJJYFLGVRE-WRSAYESZSA-N 2 2 329.444 3.445 20 0 EGADLP Cn1cc([C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000180716499 289380264 /nfs/dbraw/zinc/38/02/64/289380264.db2.gz JBEYWMAYBHFQRW-GBESFXJTSA-N 2 2 330.451 3.111 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865153 294238173 /nfs/dbraw/zinc/23/81/73/294238173.db2.gz PWWOAJINWCTTHK-YJBOKZPZSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865153 294238176 /nfs/dbraw/zinc/23/81/76/294238176.db2.gz PWWOAJINWCTTHK-YJBOKZPZSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865153 294238180 /nfs/dbraw/zinc/23/81/80/294238180.db2.gz PWWOAJINWCTTHK-YJBOKZPZSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000245865153 294238183 /nfs/dbraw/zinc/23/81/83/294238183.db2.gz PWWOAJINWCTTHK-YJBOKZPZSA-N 2 2 330.520 3.166 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000044559112 295265762 /nfs/dbraw/zinc/26/57/62/295265762.db2.gz JWHLQEOEBNYDEM-GFCCVEGCSA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000044559112 295265764 /nfs/dbraw/zinc/26/57/64/295265764.db2.gz JWHLQEOEBNYDEM-GFCCVEGCSA-N 2 2 330.259 3.135 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000346865851 300991817 /nfs/dbraw/zinc/99/18/17/300991817.db2.gz OITLFJIXCHTCJQ-DLBZAZTESA-N 2 2 341.503 3.491 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361346244 301210875 /nfs/dbraw/zinc/21/08/75/301210875.db2.gz NARRVBLLQMCWGN-ICSRJNTNSA-N 2 2 346.515 3.200 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072718802 307381727 /nfs/dbraw/zinc/38/17/27/307381727.db2.gz PALMVAZUNXRGLT-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072718802 307381728 /nfs/dbraw/zinc/38/17/28/307381728.db2.gz PALMVAZUNXRGLT-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc2n(n1)CCC2 ZINC000414074339 309059280 /nfs/dbraw/zinc/05/92/80/309059280.db2.gz ODHHLXSSCWYKSV-OAHLLOKOSA-N 2 2 342.462 3.284 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1csc(-c2ccccc2)n1 ZINC000414081786 309059785 /nfs/dbraw/zinc/05/97/85/309059785.db2.gz VJLOXCIYSZNKDZ-HNNXBMFYSA-N 2 2 345.512 3.308 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084796 309060029 /nfs/dbraw/zinc/06/00/29/309060029.db2.gz XUAZCSPUAORZSI-CVEARBPZSA-N 2 2 344.528 3.454 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2n(n1)CCC2 ZINC000414084796 309060030 /nfs/dbraw/zinc/06/00/30/309060030.db2.gz XUAZCSPUAORZSI-CVEARBPZSA-N 2 2 344.528 3.454 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124311 309062324 /nfs/dbraw/zinc/06/23/24/309062324.db2.gz BZCXBBCYYCDABJ-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124311 309062325 /nfs/dbraw/zinc/06/23/25/309062325.db2.gz BZCXBBCYYCDABJ-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(OC(C)(C)C)cc1 ZINC000157130323 307842412 /nfs/dbraw/zinc/84/24/12/307842412.db2.gz MZYNSIWSXOVIFP-DLBZAZTESA-N 2 2 334.504 3.483 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000414345541 309074225 /nfs/dbraw/zinc/07/42/25/309074225.db2.gz LLRAFNZNSZZXET-JKIFEVAISA-N 2 2 329.463 3.463 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000414345541 309074226 /nfs/dbraw/zinc/07/42/26/309074226.db2.gz LLRAFNZNSZZXET-JKIFEVAISA-N 2 2 329.463 3.463 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+]Cc3c[nH+]c(N(C)C)n3C)c(C)c2c1 ZINC000414335132 309073490 /nfs/dbraw/zinc/07/34/90/309073490.db2.gz JCKZJUZYGOZEMT-ZDUSSCGKSA-N 2 2 342.443 3.400 20 0 EGADLP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414375560 309076272 /nfs/dbraw/zinc/07/62/72/309076272.db2.gz FONMINALAKDRFQ-OAHLLOKOSA-N 2 2 330.476 3.262 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000248590113 308006353 /nfs/dbraw/zinc/00/63/53/308006353.db2.gz RBYSAWJLYRQKSG-VLCRHTCISA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000248590113 308006355 /nfs/dbraw/zinc/00/63/55/308006355.db2.gz RBYSAWJLYRQKSG-VLCRHTCISA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000248742940 308010644 /nfs/dbraw/zinc/01/06/44/308010644.db2.gz RPKSUSDIWWYLEW-RACLHMPKSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@H+]1Cc1ccccc1 ZINC000248742940 308010645 /nfs/dbraw/zinc/01/06/45/308010645.db2.gz RPKSUSDIWWYLEW-RACLHMPKSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249159271 308020179 /nfs/dbraw/zinc/02/01/79/308020179.db2.gz YAYWPWCADKBLDL-GLFJAGTFSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249159271 308020180 /nfs/dbraw/zinc/02/01/80/308020180.db2.gz YAYWPWCADKBLDL-GLFJAGTFSA-N 2 2 340.870 3.487 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000252480949 308032309 /nfs/dbraw/zinc/03/23/09/308032309.db2.gz HHQLDFBJQMKKLW-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000252480949 308032311 /nfs/dbraw/zinc/03/23/11/308032311.db2.gz HHQLDFBJQMKKLW-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000292875125 308075229 /nfs/dbraw/zinc/07/52/29/308075229.db2.gz WWDXRRNCBPJJBP-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000292875125 308075230 /nfs/dbraw/zinc/07/52/30/308075230.db2.gz WWDXRRNCBPJJBP-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC(F)F ZINC000292875125 308075231 /nfs/dbraw/zinc/07/52/31/308075231.db2.gz WWDXRRNCBPJJBP-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC(F)F ZINC000292875125 308075232 /nfs/dbraw/zinc/07/52/32/308075232.db2.gz WWDXRRNCBPJJBP-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887638 308076628 /nfs/dbraw/zinc/07/66/28/308076628.db2.gz YNOHLCJHTQJDQS-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887638 308076629 /nfs/dbraw/zinc/07/66/29/308076629.db2.gz YNOHLCJHTQJDQS-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887638 308076630 /nfs/dbraw/zinc/07/66/30/308076630.db2.gz YNOHLCJHTQJDQS-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000292887638 308076631 /nfs/dbraw/zinc/07/66/31/308076631.db2.gz YNOHLCJHTQJDQS-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293180559 308106929 /nfs/dbraw/zinc/10/69/29/308106929.db2.gz HEUXGVLCTOCALE-UHFFFAOYSA-N 2 2 345.874 3.212 20 0 EGADLP Fc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2nnc[nH]2)cc1 ZINC000293231869 308112019 /nfs/dbraw/zinc/11/20/19/308112019.db2.gz ATTPHLMYCCIPGG-SFHVURJKSA-N 2 2 345.466 3.279 20 0 EGADLP c1csc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2nnc[nH]2)c1 ZINC000293239114 308112566 /nfs/dbraw/zinc/11/25/66/308112566.db2.gz BAKNJHWQGAAYNW-MRXNPFEDSA-N 2 2 333.505 3.201 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293632787 308148119 /nfs/dbraw/zinc/14/81/19/308148119.db2.gz HQUJYMMNKHUDBS-INMHGKMJSA-N 2 2 347.532 3.303 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293670647 308151570 /nfs/dbraw/zinc/15/15/70/308151570.db2.gz OUWMBJKUDSBIMH-FQEVSTJZSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293670647 308151573 /nfs/dbraw/zinc/15/15/73/308151573.db2.gz OUWMBJKUDSBIMH-FQEVSTJZSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000293670647 308151574 /nfs/dbraw/zinc/15/15/74/308151574.db2.gz OUWMBJKUDSBIMH-FQEVSTJZSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000293670647 308151577 /nfs/dbraw/zinc/15/15/77/308151577.db2.gz OUWMBJKUDSBIMH-FQEVSTJZSA-N 2 2 348.487 3.020 20 0 EGADLP Fc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)cn1 ZINC000294935510 308273413 /nfs/dbraw/zinc/27/34/13/308273413.db2.gz DKTRCSVMXZEOFW-ZDUSSCGKSA-N 2 2 337.439 3.423 20 0 EGADLP Fc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)cn1 ZINC000294935510 308273414 /nfs/dbraw/zinc/27/34/14/308273414.db2.gz DKTRCSVMXZEOFW-ZDUSSCGKSA-N 2 2 337.439 3.423 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938557 308274032 /nfs/dbraw/zinc/27/40/32/308274032.db2.gz KZJJXDQTGUFRQJ-DYVFJYSZSA-N 2 2 347.846 3.406 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938557 308274034 /nfs/dbraw/zinc/27/40/34/308274034.db2.gz KZJJXDQTGUFRQJ-DYVFJYSZSA-N 2 2 347.846 3.406 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938562 308274122 /nfs/dbraw/zinc/27/41/22/308274122.db2.gz KZJJXDQTGUFRQJ-GUYCJALGSA-N 2 2 347.846 3.406 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938562 308274124 /nfs/dbraw/zinc/27/41/24/308274124.db2.gz KZJJXDQTGUFRQJ-GUYCJALGSA-N 2 2 347.846 3.406 20 0 EGADLP C[N@@H+](Cc1cnn(CC(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295297667 308312092 /nfs/dbraw/zinc/31/20/92/308312092.db2.gz JPFYYHMSEATBMB-QGZVFWFLSA-N 2 2 348.441 3.102 20 0 EGADLP C[N@H+](Cc1cnn(CC(F)F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295297667 308312094 /nfs/dbraw/zinc/31/20/94/308312094.db2.gz JPFYYHMSEATBMB-QGZVFWFLSA-N 2 2 348.441 3.102 20 0 EGADLP C[NH+](Cc1cnn(CC(F)F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295297667 308312095 /nfs/dbraw/zinc/31/20/95/308312095.db2.gz JPFYYHMSEATBMB-QGZVFWFLSA-N 2 2 348.441 3.102 20 0 EGADLP C[NH+](Cc1cnn(CC(F)F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295297667 308312097 /nfs/dbraw/zinc/31/20/97/308312097.db2.gz JPFYYHMSEATBMB-QGZVFWFLSA-N 2 2 348.441 3.102 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295492854 308332386 /nfs/dbraw/zinc/33/23/86/308332386.db2.gz STRBULHCPGBZAR-GDBMZVCRSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ncc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295492854 308332388 /nfs/dbraw/zinc/33/23/88/308332388.db2.gz STRBULHCPGBZAR-GDBMZVCRSA-N 2 2 331.410 3.360 20 0 EGADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414620537 309091894 /nfs/dbraw/zinc/09/18/94/309091894.db2.gz PYMBXILPESSVIM-GFCCVEGCSA-N 2 2 335.358 3.100 20 0 EGADLP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C(C)(C)n1cncn1 ZINC000297214166 308510833 /nfs/dbraw/zinc/51/08/33/308510833.db2.gz GWTAWYGQWRHLMJ-ZDUSSCGKSA-N 2 2 344.850 3.031 20 0 EGADLP C[C@@H]1C[C@H](C[N@@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757318 309099055 /nfs/dbraw/zinc/09/90/55/309099055.db2.gz APAFNPZUUUBMFH-IIAWOOMASA-N 2 2 331.485 3.058 20 0 EGADLP C[C@@H]1C[C@H](C[N@H+]2CCOC[C@@H]2c2nc3ccccc3s2)CC[NH2+]1 ZINC000414757318 309099056 /nfs/dbraw/zinc/09/90/56/309099056.db2.gz APAFNPZUUUBMFH-IIAWOOMASA-N 2 2 331.485 3.058 20 0 EGADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000414819611 309103638 /nfs/dbraw/zinc/10/36/38/309103638.db2.gz AOOYYXNZYARKGL-UHFFFAOYSA-N 2 2 325.275 3.487 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414794059 309101855 /nfs/dbraw/zinc/10/18/55/309101855.db2.gz LDMSSEZFBQNURL-LLVKDONJSA-N 2 2 337.208 3.123 20 0 EGADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c2)cc1 ZINC000414797298 309102045 /nfs/dbraw/zinc/10/20/45/309102045.db2.gz PCDMPYKNZRFWPJ-IBGZPJMESA-N 2 2 341.455 3.020 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414804828 309102570 /nfs/dbraw/zinc/10/25/70/309102570.db2.gz PCWMPANAJYEZRP-GOSISDBHSA-N 2 2 326.488 3.056 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414830813 309104272 /nfs/dbraw/zinc/10/42/72/309104272.db2.gz OHQUNEXFRVEHJW-UHFFFAOYSA-N 2 2 331.847 3.291 20 0 EGADLP Cc1cccc(N2CC[NH+](CCCCNc3cc(C)[nH+]cn3)CC2)c1 ZINC000301230560 308692627 /nfs/dbraw/zinc/69/26/27/308692627.db2.gz HKNZSZRWCWDCHK-UHFFFAOYSA-N 2 2 339.487 3.108 20 0 EGADLP Nc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)[nH+]c2ccccc12 ZINC000301884740 308720056 /nfs/dbraw/zinc/72/00/56/308720056.db2.gz OBQUHQPVTMWTTM-UHFFFAOYSA-N 2 2 334.358 3.149 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000333199874 308852812 /nfs/dbraw/zinc/85/28/12/308852812.db2.gz XKHKOFNRHCQYDF-ZBFHGGJFSA-N 2 2 345.491 3.031 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414864610 309106271 /nfs/dbraw/zinc/10/62/71/309106271.db2.gz BSJCTRGGNPFQKB-GXSJLCMTSA-N 2 2 349.784 3.027 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000414880767 309107018 /nfs/dbraw/zinc/10/70/18/309107018.db2.gz KCWDJLGDWINZMC-RBBKRZOGSA-N 2 2 347.462 3.479 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414892253 309107749 /nfs/dbraw/zinc/10/77/49/309107749.db2.gz XRRQVVGMVAMTMZ-OAQYLSRUSA-N 2 2 346.478 3.358 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(SC)cc1OC ZINC000414927939 309109681 /nfs/dbraw/zinc/10/96/81/309109681.db2.gz MRQDWTNFMGWDBE-KRWDZBQOSA-N 2 2 338.517 3.294 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CCC[NH2+]1 ZINC000414943423 309110523 /nfs/dbraw/zinc/11/05/23/309110523.db2.gz LSHFIRMKHSBTCK-SFHVURJKSA-N 2 2 334.460 3.412 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009512 309114077 /nfs/dbraw/zinc/11/40/77/309114077.db2.gz UELZDALNERNUBL-AEFFLSMTSA-N 3 2 335.923 3.412 20 0 EGADLP CSc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000415036887 309115736 /nfs/dbraw/zinc/11/57/36/309115736.db2.gz KMQNDTGXIARXIG-CYBMUJFWSA-N 2 2 329.307 3.401 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415040054 309115901 /nfs/dbraw/zinc/11/59/01/309115901.db2.gz JTIPAXKIMZUTOF-BBRMVZONSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415040054 309115902 /nfs/dbraw/zinc/11/59/02/309115902.db2.gz JTIPAXKIMZUTOF-BBRMVZONSA-N 2 2 332.879 3.191 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000415065212 309117899 /nfs/dbraw/zinc/11/78/99/309117899.db2.gz MJIOSBIAGJOZMH-DLBZAZTESA-N 2 2 331.485 3.347 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000415132339 309122733 /nfs/dbraw/zinc/12/27/33/309122733.db2.gz KYLLLOGWEOFDCO-HBFSDRIKSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415162402 309124174 /nfs/dbraw/zinc/12/41/74/309124174.db2.gz AMXYPAMLILRELI-UONOGXRCSA-N 2 2 326.400 3.075 20 0 EGADLP [NH3+]CC1(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCCC1 ZINC000415181993 309125113 /nfs/dbraw/zinc/12/51/13/309125113.db2.gz GYUIEZVZIGGLDQ-UHFFFAOYSA-N 2 2 326.400 3.267 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC2CC[NH2+]CC2)c1 ZINC000415292887 309130062 /nfs/dbraw/zinc/13/00/62/309130062.db2.gz KRBNRQKQIKRKEU-UHFFFAOYSA-N 2 2 341.459 3.224 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H](C)C[NH2+]C)c1 ZINC000415297508 309130288 /nfs/dbraw/zinc/13/02/88/309130288.db2.gz VEODXLHFLBQTLC-OAHLLOKOSA-N 2 2 343.475 3.327 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)CCCC[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415470198 309134352 /nfs/dbraw/zinc/13/43/52/309134352.db2.gz XREZJFLBJKXMAZ-CVEARBPZSA-N 2 2 347.507 3.408 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccccc1C[NH2+]C ZINC000415923263 309148956 /nfs/dbraw/zinc/14/89/56/309148956.db2.gz OZNFDLYUYHTDGL-UHFFFAOYSA-N 2 2 343.475 3.109 20 0 EGADLP OC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000417362885 309202940 /nfs/dbraw/zinc/20/29/40/309202940.db2.gz KDDFVEQOHXCDOE-INIZCTEOSA-N 2 2 336.442 3.324 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417793055 309222655 /nfs/dbraw/zinc/22/26/55/309222655.db2.gz JSKRNZXJQPPJAO-PZJWPPBQSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000417793055 309222656 /nfs/dbraw/zinc/22/26/56/309222656.db2.gz JSKRNZXJQPPJAO-PZJWPPBQSA-N 2 2 338.499 3.390 20 0 EGADLP C[NH+](C)C1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000418114662 309236126 /nfs/dbraw/zinc/23/61/26/309236126.db2.gz MHAWBBIUTLCNDA-UHFFFAOYSA-N 2 2 338.377 3.075 20 0 EGADLP Cc1csc([C@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000419690164 309271083 /nfs/dbraw/zinc/27/10/83/309271083.db2.gz UWQDLBLVHRGFHJ-CQSZACIVSA-N 2 2 330.501 3.204 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)cc1OC ZINC000420295613 309280035 /nfs/dbraw/zinc/28/00/35/309280035.db2.gz VULJQNUURQXYGD-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)cc1OC ZINC000420295613 309280036 /nfs/dbraw/zinc/28/00/36/309280036.db2.gz VULJQNUURQXYGD-UHFFFAOYSA-N 2 2 349.500 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420310792 309280860 /nfs/dbraw/zinc/28/08/60/309280860.db2.gz GVOVRWNIAJHHQO-ZJOUEHCJSA-N 2 2 349.478 3.216 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420310792 309280861 /nfs/dbraw/zinc/28/08/61/309280861.db2.gz GVOVRWNIAJHHQO-ZJOUEHCJSA-N 2 2 349.478 3.216 20 0 EGADLP COc1ccc(CC[N@@H+](Cc2ccsc2)C[C@H](C)[NH3+])cc1OC ZINC000420310466 309281057 /nfs/dbraw/zinc/28/10/57/309281057.db2.gz VAAASNDQOVVZMU-AWEZNQCLSA-N 2 2 334.485 3.157 20 0 EGADLP COc1ccc(CC[N@H+](Cc2ccsc2)C[C@H](C)[NH3+])cc1OC ZINC000420310466 309281058 /nfs/dbraw/zinc/28/10/58/309281058.db2.gz VAAASNDQOVVZMU-AWEZNQCLSA-N 2 2 334.485 3.157 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420313168 309281309 /nfs/dbraw/zinc/28/13/09/309281309.db2.gz ISNSXFWMQICVMK-PBWFPOADSA-N 2 2 344.480 3.403 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420313168 309281310 /nfs/dbraw/zinc/28/13/10/309281310.db2.gz ISNSXFWMQICVMK-PBWFPOADSA-N 2 2 344.480 3.403 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000420357547 309283854 /nfs/dbraw/zinc/28/38/54/309283854.db2.gz IDKZYLAIWARFII-HNNXBMFYSA-N 2 2 344.286 3.429 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000420360356 309284027 /nfs/dbraw/zinc/28/40/27/309284027.db2.gz LYNBTAULSWUJJA-LJQANCHMSA-N 2 2 325.456 3.276 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420360865 309284221 /nfs/dbraw/zinc/28/42/21/309284221.db2.gz HNVADCGBPGPCLN-LDDOYCOJSA-N 2 2 331.504 3.115 20 0 EGADLP CCC[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420366452 309284594 /nfs/dbraw/zinc/28/45/94/309284594.db2.gz UPKWXGUEKYNHBI-RBUKOAKNSA-N 2 2 331.504 3.141 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000420374039 309284969 /nfs/dbraw/zinc/28/49/69/309284969.db2.gz RURCKWOBAVWNCA-QINHECLXSA-N 2 2 325.456 3.137 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378984 309285274 /nfs/dbraw/zinc/28/52/74/309285274.db2.gz UVJGIWVGUQQSNS-SUMWQHHRSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378984 309285275 /nfs/dbraw/zinc/28/52/75/309285275.db2.gz UVJGIWVGUQQSNS-SUMWQHHRSA-N 2 2 326.843 3.242 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)C1CCCCC1 ZINC000420378899 309285402 /nfs/dbraw/zinc/28/54/02/309285402.db2.gz XJCWHRWEHWWMSH-QGZVFWFLSA-N 2 2 334.414 3.148 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420382218 309285480 /nfs/dbraw/zinc/28/54/80/309285480.db2.gz ZNIMGGUTHINYMZ-ZOCZFRKYSA-N 2 2 337.467 3.268 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420391500 309285901 /nfs/dbraw/zinc/28/59/01/309285901.db2.gz IMOPORSKGRTJOK-KBXCAEBGSA-N 2 2 346.425 3.115 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000420391500 309285902 /nfs/dbraw/zinc/28/59/02/309285902.db2.gz IMOPORSKGRTJOK-KBXCAEBGSA-N 2 2 346.425 3.115 20 0 EGADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000420393830 309286118 /nfs/dbraw/zinc/28/61/18/309286118.db2.gz YSSVGYSLWBERDH-LJQANCHMSA-N 2 2 345.531 3.189 20 0 EGADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000420393830 309286119 /nfs/dbraw/zinc/28/61/19/309286119.db2.gz YSSVGYSLWBERDH-LJQANCHMSA-N 2 2 345.531 3.189 20 0 EGADLP COc1cccc(CCC[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000420397263 309286234 /nfs/dbraw/zinc/28/62/34/309286234.db2.gz WZEQMWMWYRBCPI-VQTJNVASSA-N 2 2 328.431 3.194 20 0 EGADLP COc1cccc(CCC[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000420397263 309286235 /nfs/dbraw/zinc/28/62/35/309286235.db2.gz WZEQMWMWYRBCPI-VQTJNVASSA-N 2 2 328.431 3.194 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000420403227 309286685 /nfs/dbraw/zinc/28/66/85/309286685.db2.gz KWHVKAHPRKOPAS-ZLDLUXBVSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000420403227 309286686 /nfs/dbraw/zinc/28/66/86/309286686.db2.gz KWHVKAHPRKOPAS-ZLDLUXBVSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc(C)[nH+]1 ZINC000420792193 309295089 /nfs/dbraw/zinc/29/50/89/309295089.db2.gz HYLYZRYFPJEHQX-IBGZPJMESA-N 2 2 346.519 3.254 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)[nH+]1 ZINC000420818844 309296463 /nfs/dbraw/zinc/29/64/63/309296463.db2.gz LIQYUZWUSLHTKG-HUUCEWRRSA-N 2 2 346.519 3.254 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC000420818841 309296480 /nfs/dbraw/zinc/29/64/80/309296480.db2.gz LIQYUZWUSLHTKG-GASCZTMLSA-N 2 2 346.519 3.254 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC000420818841 309296481 /nfs/dbraw/zinc/29/64/81/309296481.db2.gz LIQYUZWUSLHTKG-GASCZTMLSA-N 2 2 346.519 3.254 20 0 EGADLP Cc1cc(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000420837839 309297447 /nfs/dbraw/zinc/29/74/47/309297447.db2.gz FWFKLQKZCQCXPU-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1Cc2ccccc2C1 ZINC000420909160 309300424 /nfs/dbraw/zinc/30/04/24/309300424.db2.gz YLSCNGGNXBNLGU-UHFFFAOYSA-N 2 2 336.479 3.118 20 0 EGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1Cc2ccccc2C1 ZINC000420909160 309300425 /nfs/dbraw/zinc/30/04/25/309300425.db2.gz YLSCNGGNXBNLGU-UHFFFAOYSA-N 2 2 336.479 3.118 20 0 EGADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926259 309301738 /nfs/dbraw/zinc/30/17/38/309301738.db2.gz XTJCXFCPCPEANS-RTWAWAEBSA-N 2 2 346.515 3.202 20 0 EGADLP c1coc(C2=CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000420967621 309305065 /nfs/dbraw/zinc/30/50/65/309305065.db2.gz UPPILQSPRSSBQR-UHFFFAOYSA-N 2 2 338.451 3.401 20 0 EGADLP c1coc(C2=CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000420967621 309305066 /nfs/dbraw/zinc/30/50/66/309305066.db2.gz UPPILQSPRSSBQR-UHFFFAOYSA-N 2 2 338.451 3.401 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)c1 ZINC000421383292 309321801 /nfs/dbraw/zinc/32/18/01/309321801.db2.gz NVPNMMWAKKNRPQ-QGZVFWFLSA-N 2 2 331.529 3.169 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3CCC(C)CC3)CC2)CC1 ZINC000422027715 309351919 /nfs/dbraw/zinc/35/19/19/309351919.db2.gz WQCJJSLQQVKOMP-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3CCC(C)CC3)CC2)CC1 ZINC000422027715 309351920 /nfs/dbraw/zinc/35/19/20/309351920.db2.gz WQCJJSLQQVKOMP-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@H]1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000422722609 309365109 /nfs/dbraw/zinc/36/51/09/309365109.db2.gz PMBZIKDGLJLZDB-RTBURBONSA-N 2 2 337.458 3.179 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422727166 309365403 /nfs/dbraw/zinc/36/54/03/309365403.db2.gz BLGFXCOVVFQDQR-YCRPNKLZSA-N 3 2 340.515 3.365 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422733225 309365693 /nfs/dbraw/zinc/36/56/93/309365693.db2.gz QLKLWHXKRPBRCX-KBXCAEBGSA-N 3 2 344.528 3.398 20 0 EGADLP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422773297 309367541 /nfs/dbraw/zinc/36/75/41/309367541.db2.gz ZSFUKNWWPYTSKG-FSSWDIPSSA-N 2 2 335.495 3.344 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000422798275 309369068 /nfs/dbraw/zinc/36/90/68/309369068.db2.gz QLBROEQBPKLXMY-XUVXKRRUSA-N 2 2 333.520 3.328 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422816343 309369980 /nfs/dbraw/zinc/36/99/80/309369980.db2.gz ZQWHYHIFVITMPL-GUXCAODWSA-N 2 2 325.456 3.166 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824747 309370379 /nfs/dbraw/zinc/37/03/79/309370379.db2.gz IASQVSUGVJJXAV-HACGYAERSA-N 2 2 340.414 3.022 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1c[nH+]ccc1N ZINC000422830954 309370733 /nfs/dbraw/zinc/37/07/33/309370733.db2.gz JBURNBZRQWKBJO-INIZCTEOSA-N 2 2 335.455 3.174 20 0 EGADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422838599 309371197 /nfs/dbraw/zinc/37/11/97/309371197.db2.gz XRNWFWGUGMLIIW-VAMGGRTRSA-N 2 2 338.499 3.136 20 0 EGADLP c1sc(CCc2ccccc2)nc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422855695 309372190 /nfs/dbraw/zinc/37/21/90/309372190.db2.gz VUTBKDXBZWBCEH-SJPCQFCGSA-N 2 2 327.497 3.301 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])c1ccco1 ZINC000422973404 309379104 /nfs/dbraw/zinc/37/91/04/309379104.db2.gz OKVBIZOQVRALTR-YTQUADARSA-N 2 2 329.488 3.211 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423013641 309380983 /nfs/dbraw/zinc/38/09/83/309380983.db2.gz NCJSVJCKJPILQB-YNEHKIRRSA-N 2 2 331.287 3.281 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423056197 309383303 /nfs/dbraw/zinc/38/33/03/309383303.db2.gz FNLIDAOKZIPNRT-BBRMVZONSA-N 2 2 342.405 3.094 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423071059 309384453 /nfs/dbraw/zinc/38/44/53/309384453.db2.gz NXVNJHXUECSZEI-CJNGLKHVSA-N 2 2 344.421 3.340 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423086105 309385203 /nfs/dbraw/zinc/38/52/03/309385203.db2.gz MJWOEZOEIHQKJQ-DNVCBOLYSA-N 2 2 326.488 3.085 20 0 EGADLP [NH3+]CC[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423194697 309390043 /nfs/dbraw/zinc/39/00/43/309390043.db2.gz YGRLWSYSFTZLJB-LBPRGKRZSA-N 2 2 337.183 3.467 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Br)cc1C(F)(F)F ZINC000423203834 309390342 /nfs/dbraw/zinc/39/03/42/309390342.db2.gz AEFZIHQHZBWEHW-WPRPVWTQSA-N 2 2 337.183 3.480 20 0 EGADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000423237655 309391878 /nfs/dbraw/zinc/39/18/78/309391878.db2.gz DKFACLIKMDBDLH-OAHLLOKOSA-N 2 2 331.485 3.395 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423272225 309393384 /nfs/dbraw/zinc/39/33/84/309393384.db2.gz JQXVUXJBNDAGPA-KGLIPLIRSA-N 2 2 327.266 3.236 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(N2CCOCC2)c1 ZINC000423279020 309393700 /nfs/dbraw/zinc/39/37/00/309393700.db2.gz QUWBIIBQADCZLZ-SFHVURJKSA-N 2 2 345.531 3.486 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000423332348 309395585 /nfs/dbraw/zinc/39/55/85/309395585.db2.gz NEZFUQGGRKUYJU-VMDGZTHMSA-N 2 2 329.419 3.026 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423335115 309395841 /nfs/dbraw/zinc/39/58/41/309395841.db2.gz PKWVTRGBXKCYHE-HNNXBMFYSA-N 2 2 349.475 3.152 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000423337382 309395913 /nfs/dbraw/zinc/39/59/13/309395913.db2.gz QTQHKUJRALWQIY-SUMWQHHRSA-N 2 2 344.484 3.156 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000423337382 309395914 /nfs/dbraw/zinc/39/59/14/309395914.db2.gz QTQHKUJRALWQIY-SUMWQHHRSA-N 2 2 344.484 3.156 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423342539 309396265 /nfs/dbraw/zinc/39/62/65/309396265.db2.gz NFGCIZTYXLQVRD-YGRLFVJLSA-N 2 2 330.245 3.024 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423358839 309396744 /nfs/dbraw/zinc/39/67/44/309396744.db2.gz NZVYLGNOGXBRSP-OIISXLGYSA-N 2 2 336.451 3.176 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000423366430 309397154 /nfs/dbraw/zinc/39/71/54/309397154.db2.gz LJNYTYCDWPOHGI-OHQAAIJDSA-N 2 2 338.442 3.204 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cncc(F)c1 ZINC000423366472 309397429 /nfs/dbraw/zinc/39/74/29/309397429.db2.gz LPSIXEIEMLXCGC-POHZPAGDSA-N 2 2 335.373 3.295 20 0 EGADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423374340 309397843 /nfs/dbraw/zinc/39/78/43/309397843.db2.gz SSFKDTHCWHPGMM-YUMQZZPRSA-N 2 2 325.172 3.466 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423374773 309397847 /nfs/dbraw/zinc/39/78/47/309397847.db2.gz SYRXCVAGVVKLEH-DIFFPNOSSA-N 2 2 329.787 3.218 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc(OC)c1OC ZINC000423382974 309397916 /nfs/dbraw/zinc/39/79/16/309397916.db2.gz IZKOCVFATIVERE-GUYCJALGSA-N 2 2 336.476 3.141 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423417648 309399542 /nfs/dbraw/zinc/39/95/42/309399542.db2.gz HHERTSLMAWGOKM-ZBFHGGJFSA-N 2 2 326.893 3.235 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423417645 309399575 /nfs/dbraw/zinc/39/95/75/309399575.db2.gz HHERTSLMAWGOKM-GDBMZVCRSA-N 2 2 326.893 3.235 20 0 EGADLP CCCCCOc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423546432 309405907 /nfs/dbraw/zinc/40/59/07/309405907.db2.gz DGFFKOIFQDYJNP-VQTJNVASSA-N 2 2 332.488 3.285 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)c(Br)c1 ZINC000423562510 309406430 /nfs/dbraw/zinc/40/64/30/309406430.db2.gz QNHUYVNUCHRARV-NSHDSACASA-N 2 2 327.266 3.250 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1I)C[NH+](C)C ZINC000425923833 309494772 /nfs/dbraw/zinc/49/47/72/309494772.db2.gz OOEOELMFMVEPGB-VXGBXAGGSA-N 2 2 346.256 3.140 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1OCc1ccccc1 ZINC000427879662 309537470 /nfs/dbraw/zinc/53/74/70/309537470.db2.gz DCXUHYVVDQBJKQ-KURKYZTESA-N 2 2 325.456 3.171 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432245286 309655526 /nfs/dbraw/zinc/65/55/26/309655526.db2.gz ICHXCGRQNMLRRK-ZDUSSCGKSA-N 2 2 349.277 3.315 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434665073 309716938 /nfs/dbraw/zinc/71/69/38/309716938.db2.gz YULLMEOLVADWLN-CQSZACIVSA-N 2 2 333.476 3.129 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccccc1OC ZINC000435537704 309734549 /nfs/dbraw/zinc/73/45/49/309734549.db2.gz XYKRLXNSHFFEMS-SIXWZSSISA-N 2 2 329.444 3.390 20 0 EGADLP CC(C)CC(CC(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000448975104 310026647 /nfs/dbraw/zinc/02/66/47/310026647.db2.gz GFUCKQSHPGFKSP-UHFFFAOYSA-N 2 2 339.568 3.179 20 0 EGADLP CC(C)CC(CC(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448975104 310026648 /nfs/dbraw/zinc/02/66/48/310026648.db2.gz GFUCKQSHPGFKSP-UHFFFAOYSA-N 2 2 339.568 3.179 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027161 310030686 /nfs/dbraw/zinc/03/06/86/310030686.db2.gz HTVVFRUYYDEQML-LPHOPBHVSA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027161 310030687 /nfs/dbraw/zinc/03/06/87/310030687.db2.gz HTVVFRUYYDEQML-LPHOPBHVSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027161 310030688 /nfs/dbraw/zinc/03/06/88/310030688.db2.gz HTVVFRUYYDEQML-LPHOPBHVSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027161 310030689 /nfs/dbraw/zinc/03/06/89/310030689.db2.gz HTVVFRUYYDEQML-LPHOPBHVSA-N 2 2 342.487 3.186 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038732 310032249 /nfs/dbraw/zinc/03/22/49/310032249.db2.gz WWNVGAXTCPIRJB-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038732 310032250 /nfs/dbraw/zinc/03/22/50/310032250.db2.gz WWNVGAXTCPIRJB-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038732 310032251 /nfs/dbraw/zinc/03/22/51/310032251.db2.gz WWNVGAXTCPIRJB-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038732 310032252 /nfs/dbraw/zinc/03/22/52/310032252.db2.gz WWNVGAXTCPIRJB-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP c1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)cc[nH+]1 ZINC000449051939 310033334 /nfs/dbraw/zinc/03/33/34/310033334.db2.gz YIKDNCVBFLBLNN-GOSISDBHSA-N 2 2 340.423 3.286 20 0 EGADLP c1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)cc[nH+]1 ZINC000449051939 310033335 /nfs/dbraw/zinc/03/33/35/310033335.db2.gz YIKDNCVBFLBLNN-GOSISDBHSA-N 2 2 340.423 3.286 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccncc1F ZINC000449189019 310043378 /nfs/dbraw/zinc/04/33/78/310043378.db2.gz TYMPEHFUTOIJQE-HZPDHXFCSA-N 2 2 327.447 3.467 20 0 EGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000449323782 310053502 /nfs/dbraw/zinc/05/35/02/310053502.db2.gz XAXWXEISKCACLE-KGEPEWOVSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000449323782 310053503 /nfs/dbraw/zinc/05/35/03/310053503.db2.gz XAXWXEISKCACLE-KGEPEWOVSA-N 2 2 349.563 3.265 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC000449380316 310057598 /nfs/dbraw/zinc/05/75/98/310057598.db2.gz WBDTWMAQVIEPHY-GOSISDBHSA-N 2 2 344.499 3.114 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385441 310057947 /nfs/dbraw/zinc/05/79/47/310057947.db2.gz FNJSWTUJXZDCNN-LJISPDSOSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449385441 310057948 /nfs/dbraw/zinc/05/79/48/310057948.db2.gz FNJSWTUJXZDCNN-LJISPDSOSA-N 2 2 342.936 3.330 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000449395417 310058532 /nfs/dbraw/zinc/05/85/32/310058532.db2.gz IWGDMQGXXJHZMD-IEZWGBDMSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000449395417 310058533 /nfs/dbraw/zinc/05/85/33/310058533.db2.gz IWGDMQGXXJHZMD-IEZWGBDMSA-N 2 2 336.907 3.413 20 0 EGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OC ZINC000449400723 310058982 /nfs/dbraw/zinc/05/89/82/310058982.db2.gz CSWCTNZVUPJPHM-DZGCQCFKSA-N 2 2 325.522 3.060 20 0 EGADLP CC[C@H](C)[C@@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)OC ZINC000449400723 310058983 /nfs/dbraw/zinc/05/89/83/310058983.db2.gz CSWCTNZVUPJPHM-DZGCQCFKSA-N 2 2 325.522 3.060 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000449473972 310065143 /nfs/dbraw/zinc/06/51/43/310065143.db2.gz ITDRJVYBWAZZFV-GOSISDBHSA-N 2 2 345.531 3.278 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000449473972 310065144 /nfs/dbraw/zinc/06/51/44/310065144.db2.gz ITDRJVYBWAZZFV-GOSISDBHSA-N 2 2 345.531 3.278 20 0 EGADLP COc1cc(C)[nH+]c(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000449786845 310087172 /nfs/dbraw/zinc/08/71/72/310087172.db2.gz QPUWXLMAYURMLF-UHFFFAOYSA-N 2 2 345.409 3.247 20 0 EGADLP CN(C)c1nc(N2CCC([NH+]3CCCCC3)CC2)[nH+]c2ccccc21 ZINC000450261682 310111776 /nfs/dbraw/zinc/11/17/76/310111776.db2.gz PITUVGSECPCSPN-UHFFFAOYSA-N 2 2 339.487 3.151 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccn(CCc4ccccc4)n3)CC2)c[nH+]1 ZINC000450477369 310125088 /nfs/dbraw/zinc/12/50/88/310125088.db2.gz WGUWGXUCKFQLDH-UHFFFAOYSA-N 2 2 335.455 3.159 20 0 EGADLP C[C@H]1C[N@H+](CCCNc2[nH+]cnc3[nH]c4ccccc4c32)CCCO1 ZINC000450484407 310125585 /nfs/dbraw/zinc/12/55/85/310125585.db2.gz GULHBXZSQPDTPK-AWEZNQCLSA-N 2 2 339.443 3.024 20 0 EGADLP C[C@H]1C[N@@H+](CCCNc2[nH+]cnc3[nH]c4ccccc4c32)CCCO1 ZINC000450484407 310125586 /nfs/dbraw/zinc/12/55/86/310125586.db2.gz GULHBXZSQPDTPK-AWEZNQCLSA-N 2 2 339.443 3.024 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccn(CCc3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000450587405 310131518 /nfs/dbraw/zinc/13/15/18/310131518.db2.gz DIJSJQRSLHIOII-RXVVDRJESA-N 2 2 349.482 3.405 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000450587405 310131519 /nfs/dbraw/zinc/13/15/19/310131519.db2.gz DIJSJQRSLHIOII-RXVVDRJESA-N 2 2 349.482 3.405 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H]1CCOC1 ZINC000450691011 310137589 /nfs/dbraw/zinc/13/75/89/310137589.db2.gz WURJRNLZLNBAEB-WTGUMLROSA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCOC1 ZINC000450691011 310137590 /nfs/dbraw/zinc/13/75/90/310137590.db2.gz WURJRNLZLNBAEB-WTGUMLROSA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCOC1 ZINC000450691011 310137591 /nfs/dbraw/zinc/13/75/91/310137591.db2.gz WURJRNLZLNBAEB-WTGUMLROSA-N 2 2 338.536 3.014 20 0 EGADLP C[NH+](CC[C@@H]1CCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCOC1 ZINC000450691011 310137592 /nfs/dbraw/zinc/13/75/92/310137592.db2.gz WURJRNLZLNBAEB-WTGUMLROSA-N 2 2 338.536 3.014 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211132 310218853 /nfs/dbraw/zinc/21/88/53/310218853.db2.gz YAZBPGVNKOOSPZ-MRXNPFEDSA-N 2 2 348.878 3.309 20 0 EGADLP C[NH+](C)[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1cccc(Cl)c1 ZINC000452337406 310224153 /nfs/dbraw/zinc/22/41/53/310224153.db2.gz ZXRFNPPNXWUVOX-INIZCTEOSA-N 2 2 332.835 3.114 20 0 EGADLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@@H+](C)C1CC1 ZINC000453096902 310257643 /nfs/dbraw/zinc/25/76/43/310257643.db2.gz IPUQLNVAJWTTOE-CXAGYDPISA-N 2 2 332.879 3.235 20 0 EGADLP C[C@H](CN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[N@H+](C)C1CC1 ZINC000453096902 310257642 /nfs/dbraw/zinc/25/76/42/310257642.db2.gz IPUQLNVAJWTTOE-CXAGYDPISA-N 2 2 332.879 3.235 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250340 310266659 /nfs/dbraw/zinc/26/66/59/310266659.db2.gz HFOILWGLXUGDDH-ZBFHGGJFSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1OC(F)F ZINC000453250340 310266660 /nfs/dbraw/zinc/26/66/60/310266660.db2.gz HFOILWGLXUGDDH-ZBFHGGJFSA-N 2 2 342.430 3.176 20 0 EGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453270197 310268172 /nfs/dbraw/zinc/26/81/72/310268172.db2.gz SBTIPHRLZPQYLU-IEBWSBKVSA-N 2 2 336.545 3.240 20 0 EGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453270197 310268173 /nfs/dbraw/zinc/26/81/73/310268173.db2.gz SBTIPHRLZPQYLU-IEBWSBKVSA-N 2 2 336.545 3.240 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300844 310269981 /nfs/dbraw/zinc/26/99/81/310269981.db2.gz ZOXBDQWHEFGPLS-PKOBYXMFSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300844 310269982 /nfs/dbraw/zinc/26/99/82/310269982.db2.gz ZOXBDQWHEFGPLS-PKOBYXMFSA-N 2 2 336.907 3.098 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC3(C)C)CC2)cc1 ZINC000453322577 310271080 /nfs/dbraw/zinc/27/10/80/310271080.db2.gz ITEBPRRGYQPFMG-LJQANCHMSA-N 2 2 329.488 3.388 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc(Br)s1 ZINC000453341981 310271968 /nfs/dbraw/zinc/27/19/68/310271968.db2.gz HVZIRHYKFUCFFR-UBJLHIIHSA-N 2 2 330.295 3.181 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc(Br)s1 ZINC000453341981 310271969 /nfs/dbraw/zinc/27/19/69/310271969.db2.gz HVZIRHYKFUCFFR-UBJLHIIHSA-N 2 2 330.295 3.181 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453372565 310273504 /nfs/dbraw/zinc/27/35/04/310273504.db2.gz GNVHPLPOSVUTCM-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453372565 310273505 /nfs/dbraw/zinc/27/35/05/310273505.db2.gz GNVHPLPOSVUTCM-PKOBYXMFSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1cc(Br)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000453618499 310284895 /nfs/dbraw/zinc/28/48/95/310284895.db2.gz ZCGCWDUIQNBUFT-SNVBAGLBSA-N 2 2 326.263 3.120 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)CC3 ZINC000493050323 311321144 /nfs/dbraw/zinc/32/11/44/311321144.db2.gz BRCSADNMMSOJAO-QRWLVFNGSA-N 2 2 343.540 3.361 20 0 EGADLP CC1CC[NH+]([C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)c2cccs2)CC1 ZINC000493101568 311327717 /nfs/dbraw/zinc/32/77/17/311327717.db2.gz ZBGZNWKPAOPGBH-YIEVGGLXSA-N 2 2 344.484 3.074 20 0 EGADLP CC(C)(C)OC1CC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000493123488 311330730 /nfs/dbraw/zinc/33/07/30/311330730.db2.gz AGEHAAXDPCXYQN-UHFFFAOYSA-N 2 2 338.536 3.205 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506489540 312050407 /nfs/dbraw/zinc/05/04/07/312050407.db2.gz VTDVYFRKPVKOCI-XUVXKRRUSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506489540 312050409 /nfs/dbraw/zinc/05/04/09/312050409.db2.gz VTDVYFRKPVKOCI-XUVXKRRUSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506489540 312050411 /nfs/dbraw/zinc/05/04/11/312050411.db2.gz VTDVYFRKPVKOCI-XUVXKRRUSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506489540 312050413 /nfs/dbraw/zinc/05/04/13/312050413.db2.gz VTDVYFRKPVKOCI-XUVXKRRUSA-N 2 2 349.563 3.364 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)[C@H]3CCCOC3)c(C)c2)CC1 ZINC000507452784 312072752 /nfs/dbraw/zinc/07/27/52/312072752.db2.gz YELCAITZOZXXTL-MSOLQXFVSA-N 2 2 331.504 3.364 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000507809774 312083050 /nfs/dbraw/zinc/08/30/50/312083050.db2.gz FDHFNYNPPIKPQY-QFBILLFUSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Cl ZINC000507809774 312083052 /nfs/dbraw/zinc/08/30/52/312083052.db2.gz FDHFNYNPPIKPQY-QFBILLFUSA-N 2 2 335.923 3.106 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714052 312100784 /nfs/dbraw/zinc/10/07/84/312100784.db2.gz GUXVYZBBZBOGMO-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714052 312100786 /nfs/dbraw/zinc/10/07/86/312100786.db2.gz GUXVYZBBZBOGMO-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000509827704 312127483 /nfs/dbraw/zinc/12/74/83/312127483.db2.gz WHRPJQHBQNOPPF-SFHVURJKSA-N 2 2 331.504 3.284 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC000509827704 312127484 /nfs/dbraw/zinc/12/74/84/312127484.db2.gz WHRPJQHBQNOPPF-SFHVURJKSA-N 2 2 331.504 3.284 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142780 312156147 /nfs/dbraw/zinc/15/61/47/312156147.db2.gz GFPMXVWBYXNKJM-CZUORRHYSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142780 312156148 /nfs/dbraw/zinc/15/61/48/312156148.db2.gz GFPMXVWBYXNKJM-CZUORRHYSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142780 312156151 /nfs/dbraw/zinc/15/61/51/312156151.db2.gz GFPMXVWBYXNKJM-CZUORRHYSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142780 312156154 /nfs/dbraw/zinc/15/61/54/312156154.db2.gz GFPMXVWBYXNKJM-CZUORRHYSA-N 2 2 338.879 3.431 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000513400055 312209050 /nfs/dbraw/zinc/20/90/50/312209050.db2.gz ABOCSVSSSPBYOU-NSCUHMNNSA-N 2 2 327.403 3.065 20 0 EGADLP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)CC2 ZINC000515305939 312275556 /nfs/dbraw/zinc/27/55/56/312275556.db2.gz MKHUMPUZTNYCOI-HNNXBMFYSA-N 2 2 349.438 3.007 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)ccn12 ZINC000516581049 312331489 /nfs/dbraw/zinc/33/14/89/312331489.db2.gz ALFILUOBQPMGBQ-HOTGVXAUSA-N 2 2 342.487 3.131 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000516774248 312341283 /nfs/dbraw/zinc/34/12/83/312341283.db2.gz JVAHMFOGJZLXPD-ZWKOTPCHSA-N 2 2 332.451 3.043 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000516774248 312341284 /nfs/dbraw/zinc/34/12/84/312341284.db2.gz JVAHMFOGJZLXPD-ZWKOTPCHSA-N 2 2 332.451 3.043 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000516965510 312355126 /nfs/dbraw/zinc/35/51/26/312355126.db2.gz YSENVSRNEPIWAG-JXFKEZNVSA-N 2 2 344.474 3.448 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000528421563 313089224 /nfs/dbraw/zinc/08/92/24/313089224.db2.gz AJDDQSUDCSEPNQ-ATZDWAIDSA-N 2 2 331.435 3.163 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000528421563 313089226 /nfs/dbraw/zinc/08/92/26/313089226.db2.gz AJDDQSUDCSEPNQ-ATZDWAIDSA-N 2 2 331.435 3.163 20 0 EGADLP c1cc2c(cccc2N2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)[nH]1 ZINC000529669402 313382704 /nfs/dbraw/zinc/38/27/04/313382704.db2.gz MMCFMJUTYKZOBP-UHFFFAOYSA-N 2 2 331.423 3.138 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178058 313491194 /nfs/dbraw/zinc/49/11/94/313491194.db2.gz NYKGGCUFUZSWMT-GOSISDBHSA-N 2 2 328.435 3.002 20 0 EGADLP CCCC[C@H](COC)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000532233178 313772180 /nfs/dbraw/zinc/77/21/80/313772180.db2.gz UPEOHSSXGFTBOG-GOSISDBHSA-N 2 2 326.525 3.064 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535576106 314053565 /nfs/dbraw/zinc/05/35/65/314053565.db2.gz TWPNORAAXRAVMP-UHFFFAOYSA-N 2 2 346.519 3.387 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000536067624 314092855 /nfs/dbraw/zinc/09/28/55/314092855.db2.gz UWEVNPZNCZZXJW-SFHVURJKSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000536067624 314092857 /nfs/dbraw/zinc/09/28/57/314092857.db2.gz UWEVNPZNCZZXJW-SFHVURJKSA-N 2 2 348.450 3.384 20 0 EGADLP OCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000537630359 314198238 /nfs/dbraw/zinc/19/82/38/314198238.db2.gz QYDWBSDPUZZTOL-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)o1 ZINC000537630359 314198241 /nfs/dbraw/zinc/19/82/41/314198241.db2.gz QYDWBSDPUZZTOL-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)o1 ZINC000537630359 314198243 /nfs/dbraw/zinc/19/82/43/314198243.db2.gz QYDWBSDPUZZTOL-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)o1 ZINC000537630359 314198246 /nfs/dbraw/zinc/19/82/46/314198246.db2.gz QYDWBSDPUZZTOL-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)C2 ZINC000540594927 314390818 /nfs/dbraw/zinc/39/08/18/314390818.db2.gz JUQVAWFPMUMZQX-ILRDRHFLSA-N 2 2 343.515 3.433 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000545912605 314790656 /nfs/dbraw/zinc/79/06/56/314790656.db2.gz DDNSJVOHUYDNQB-QXAKKESOSA-N 2 2 338.536 3.454 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1Oc1cccnc1 ZINC000547642665 314920557 /nfs/dbraw/zinc/92/05/57/314920557.db2.gz INXMWXDMPWSVJL-KRWDZBQOSA-N 2 2 334.423 3.483 20 0 EGADLP O=C1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2N1 ZINC000556702931 315454686 /nfs/dbraw/zinc/45/46/86/315454686.db2.gz XLXYCWDLZXFIEV-SFHVURJKSA-N 2 2 336.439 3.114 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)c(C)c1OC ZINC000560514403 315701433 /nfs/dbraw/zinc/70/14/33/315701433.db2.gz LQSKTQYMLXYXTO-MRXNPFEDSA-N 2 2 334.504 3.265 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000563880529 316084656 /nfs/dbraw/zinc/08/46/56/316084656.db2.gz RGXXANGBMPWAJS-AUUYWEPGSA-N 2 2 341.430 3.166 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1F ZINC000563891409 316086887 /nfs/dbraw/zinc/08/68/87/316086887.db2.gz DTSIVOSGJMPQAI-HXUWFJFHSA-N 2 2 344.405 3.184 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1F ZINC000563891409 316086893 /nfs/dbraw/zinc/08/68/93/316086893.db2.gz DTSIVOSGJMPQAI-HXUWFJFHSA-N 2 2 344.405 3.184 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000564092256 316112665 /nfs/dbraw/zinc/11/26/65/316112665.db2.gz GEYUBGKLNXOREX-IAGOWNOFSA-N 2 2 333.520 3.352 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000564329692 316138196 /nfs/dbraw/zinc/13/81/96/316138196.db2.gz DFAXZYMNEWRBFG-PKOBYXMFSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000564329692 316138201 /nfs/dbraw/zinc/13/82/01/316138201.db2.gz DFAXZYMNEWRBFG-PKOBYXMFSA-N 2 2 329.488 3.272 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568201 316339887 /nfs/dbraw/zinc/33/98/87/316339887.db2.gz WMHOXMVVWBQUIV-IBGZPJMESA-N 3 2 347.522 3.153 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568201 316339890 /nfs/dbraw/zinc/33/98/90/316339890.db2.gz WMHOXMVVWBQUIV-IBGZPJMESA-N 3 2 347.522 3.153 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc12 ZINC000565674112 316355287 /nfs/dbraw/zinc/35/52/87/316355287.db2.gz GOOBHSIRNCMYFD-VQIMIIECSA-N 2 2 349.482 3.202 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCCC3(F)F)c2cc1C ZINC000566120130 316421254 /nfs/dbraw/zinc/42/12/54/316421254.db2.gz JKVWBOHCPLMWBB-LSDHHAIUSA-N 2 2 337.414 3.039 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c2sccc21 ZINC000570106202 317008797 /nfs/dbraw/zinc/00/87/97/317008797.db2.gz IGPCXJXRFACYHL-MBMVNNNZSA-N 2 2 344.484 3.030 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000570817773 317113255 /nfs/dbraw/zinc/11/32/55/317113255.db2.gz VLNDQWNYZYNLFT-RSPOEFSDSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000570817773 317113258 /nfs/dbraw/zinc/11/32/58/317113258.db2.gz VLNDQWNYZYNLFT-RSPOEFSDSA-N 2 2 344.499 3.361 20 0 EGADLP CC(C)OC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000570873002 317119455 /nfs/dbraw/zinc/11/94/55/317119455.db2.gz XNOFBKHICDAKPH-UHFFFAOYSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000570974518 317134966 /nfs/dbraw/zinc/13/49/66/317134966.db2.gz LJFJSGRYLAZZFX-OXQOHEQNSA-N 2 2 340.515 3.298 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000570974518 317134969 /nfs/dbraw/zinc/13/49/69/317134969.db2.gz LJFJSGRYLAZZFX-OXQOHEQNSA-N 2 2 340.515 3.298 20 0 EGADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000571104504 317151212 /nfs/dbraw/zinc/15/12/12/317151212.db2.gz VBGNZPWIDNHVQB-UHFFFAOYSA-N 2 2 332.419 3.022 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000571295462 317180299 /nfs/dbraw/zinc/18/02/99/317180299.db2.gz YQEGHLFSFRSJIE-QGZVFWFLSA-N 2 2 337.826 3.219 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000571295462 317180302 /nfs/dbraw/zinc/18/03/02/317180302.db2.gz YQEGHLFSFRSJIE-QGZVFWFLSA-N 2 2 337.826 3.219 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)[C@H]1CCC[NH2+]1 ZINC000571312765 317182067 /nfs/dbraw/zinc/18/20/67/317182067.db2.gz AAYORDDFEYJVQV-QMTMVMCOSA-N 2 2 338.455 3.125 20 0 EGADLP CC1=CCN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482473 317345638 /nfs/dbraw/zinc/34/56/38/317345638.db2.gz VDGMJCKURYGAHC-OAQYLSRUSA-N 2 2 339.527 3.425 20 0 EGADLP CC1=CCN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000572482473 317345639 /nfs/dbraw/zinc/34/56/39/317345639.db2.gz VDGMJCKURYGAHC-OAQYLSRUSA-N 2 2 339.527 3.425 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000572531221 317352782 /nfs/dbraw/zinc/35/27/82/317352782.db2.gz JEAXPLFIUNFXPR-LJQANCHMSA-N 2 2 336.907 3.445 20 0 EGADLP C[NH+](C)Cc1ccccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000574123297 317562856 /nfs/dbraw/zinc/56/28/56/317562856.db2.gz NVJWLFKGIWEGEE-UHFFFAOYSA-N 2 2 348.450 3.174 20 0 EGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182559154 323560758 /nfs/dbraw/zinc/56/07/58/323560758.db2.gz WYYUMZNMTVZIDF-INIZCTEOSA-N 2 2 334.423 3.486 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130895 324288097 /nfs/dbraw/zinc/28/80/97/324288097.db2.gz GHPXGJVMDMQSDH-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130895 324288101 /nfs/dbraw/zinc/28/81/01/324288101.db2.gz GHPXGJVMDMQSDH-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP COCC(C)(C)CCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000575862712 324495362 /nfs/dbraw/zinc/49/53/62/324495362.db2.gz KXCGRZJQXKWNTR-QGZVFWFLSA-N 2 2 347.503 3.056 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000576749782 324674470 /nfs/dbraw/zinc/67/44/70/324674470.db2.gz XCDQEZBHFGFKHJ-IRXDYDNUSA-N 2 2 348.450 3.030 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c(C)c[nH+]1 ZINC000577406197 324802522 /nfs/dbraw/zinc/80/25/22/324802522.db2.gz VYICGRBIEMBAQD-LPHOPBHVSA-N 2 2 340.471 3.242 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000577501006 324818438 /nfs/dbraw/zinc/81/84/38/324818438.db2.gz OIGDYOTYVBODEN-BZUAXINKSA-N 2 2 327.497 3.385 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+]Cc3c[nH+]c(C)n3C)ccn2)cc1 ZINC000577748367 324859856 /nfs/dbraw/zinc/85/98/56/324859856.db2.gz WIGOVEIHPBINAO-UHFFFAOYSA-N 2 2 338.411 3.214 20 0 EGADLP COc1ccncc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753834 325013750 /nfs/dbraw/zinc/01/37/50/325013750.db2.gz HXOHHUXBHDGBOC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccncc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578753834 325013753 /nfs/dbraw/zinc/01/37/53/325013753.db2.gz HXOHHUXBHDGBOC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578753834 325013757 /nfs/dbraw/zinc/01/37/57/325013757.db2.gz HXOHHUXBHDGBOC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccncc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578753834 325013762 /nfs/dbraw/zinc/01/37/62/325013762.db2.gz HXOHHUXBHDGBOC-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000579931742 325178501 /nfs/dbraw/zinc/17/85/01/325178501.db2.gz RYYNHGYFDCMRED-NWDGAFQWSA-N 2 2 331.382 3.010 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097181 325204370 /nfs/dbraw/zinc/20/43/70/325204370.db2.gz DBWGEWDEXCKGBN-PKOBYXMFSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000580097181 325204374 /nfs/dbraw/zinc/20/43/74/325204374.db2.gz DBWGEWDEXCKGBN-PKOBYXMFSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000581136743 325333845 /nfs/dbraw/zinc/33/38/45/325333845.db2.gz BYHWEGGQVIGWCX-NSHDSACASA-N 2 2 344.286 3.381 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000581245193 325345377 /nfs/dbraw/zinc/34/53/77/325345377.db2.gz FWUDARDSCVAGHD-LIRRHRJNSA-N 2 2 337.467 3.484 20 0 EGADLP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000581243199 325345392 /nfs/dbraw/zinc/34/53/92/325345392.db2.gz QEFYPVLJSCUIJT-QZTJIDSGSA-N 2 2 340.471 3.276 20 0 EGADLP c1ccc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000581243199 325345394 /nfs/dbraw/zinc/34/53/94/325345394.db2.gz QEFYPVLJSCUIJT-QZTJIDSGSA-N 2 2 340.471 3.276 20 0 EGADLP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000581243201 325345464 /nfs/dbraw/zinc/34/54/64/325345464.db2.gz QEFYPVLJSCUIJT-ZWKOTPCHSA-N 2 2 340.471 3.276 20 0 EGADLP c1ccc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000581243201 325345465 /nfs/dbraw/zinc/34/54/65/325345465.db2.gz QEFYPVLJSCUIJT-ZWKOTPCHSA-N 2 2 340.471 3.276 20 0 EGADLP Cc1cc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797324 325390639 /nfs/dbraw/zinc/39/06/39/325390639.db2.gz KDPBUISGNXTFGO-WMZOPIPTSA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797324 325390641 /nfs/dbraw/zinc/39/06/41/325390641.db2.gz KDPBUISGNXTFGO-WMZOPIPTSA-N 2 2 344.503 3.151 20 0 EGADLP CC(C)c1nc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(C(C)(C)C)[nH+]1 ZINC000582053322 325410405 /nfs/dbraw/zinc/41/04/05/325410405.db2.gz XNEPYKQEKGHGMX-QAPCUYQASA-N 2 2 346.519 3.230 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430547704 458459799 /nfs/dbraw/zinc/45/97/99/458459799.db2.gz AFAXKMDZQKYJMU-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000183184921 455245758 /nfs/dbraw/zinc/24/57/58/455245758.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000183184921 455245763 /nfs/dbraw/zinc/24/57/63/455245763.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184921 455245768 /nfs/dbraw/zinc/24/57/68/455245768.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184921 455245772 /nfs/dbraw/zinc/24/57/72/455245772.db2.gz MBNDSAQRRRFOBJ-UYAOXDASSA-N 3 2 326.488 3.258 20 0 EGADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000238048451 455249336 /nfs/dbraw/zinc/24/93/36/455249336.db2.gz COOUOANCUJFPMZ-XJKSGUPXSA-N 2 2 345.830 3.385 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245592655 455336620 /nfs/dbraw/zinc/33/66/20/455336620.db2.gz LWXWTDGEZPWVPW-YCCRMZCTSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245592655 455336625 /nfs/dbraw/zinc/33/66/25/455336625.db2.gz LWXWTDGEZPWVPW-YCCRMZCTSA-N 2 2 326.843 3.239 20 0 EGADLP OCC[NH2+]C1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000631865376 460583702 /nfs/dbraw/zinc/58/37/02/460583702.db2.gz ADHLYJXZNHCYDQ-UHFFFAOYSA-N 2 2 349.327 3.132 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCCC3)cc2[nH+]1 ZINC000626617616 460600611 /nfs/dbraw/zinc/60/06/11/460600611.db2.gz RWIPKLURVAGITA-KRWDZBQOSA-N 2 2 341.459 3.171 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)cc2[nH+]1 ZINC000626617616 460600617 /nfs/dbraw/zinc/60/06/17/460600617.db2.gz RWIPKLURVAGITA-KRWDZBQOSA-N 2 2 341.459 3.171 20 0 EGADLP O[C@H](C[NH2+]Cc1cccc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000030903597 453841449 /nfs/dbraw/zinc/84/14/49/453841449.db2.gz LPOYIQGAGDSIFO-JOCHJYFZSA-N 2 2 346.474 3.349 20 0 EGADLP O[C@H](C[NH2+]Cc1cccc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000030903597 453841451 /nfs/dbraw/zinc/84/14/51/453841451.db2.gz LPOYIQGAGDSIFO-JOCHJYFZSA-N 2 2 346.474 3.349 20 0 EGADLP O=C(NCCNc1cccc[nH+]1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081458150 453874000 /nfs/dbraw/zinc/87/40/00/453874000.db2.gz IQXWZQMRLKVIIT-UHFFFAOYSA-N 2 2 333.395 3.062 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860189 453932804 /nfs/dbraw/zinc/93/28/04/453932804.db2.gz RHLRTKVEVFBWJY-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860189 453932806 /nfs/dbraw/zinc/93/28/06/453932806.db2.gz RHLRTKVEVFBWJY-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075860189 453932808 /nfs/dbraw/zinc/93/28/08/453932808.db2.gz RHLRTKVEVFBWJY-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075860189 453932810 /nfs/dbraw/zinc/93/28/10/453932810.db2.gz RHLRTKVEVFBWJY-ROUUACIJSA-N 2 2 331.504 3.437 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000076001261 453947757 /nfs/dbraw/zinc/94/77/57/453947757.db2.gz AHYUYMITJDJDTA-SFHVURJKSA-N 2 2 331.504 3.092 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000076001261 453947758 /nfs/dbraw/zinc/94/77/58/453947758.db2.gz AHYUYMITJDJDTA-SFHVURJKSA-N 2 2 331.504 3.092 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCCC2 ZINC000084672740 454004567 /nfs/dbraw/zinc/00/45/67/454004567.db2.gz RQJSLTWYRYJTGQ-MSOLQXFVSA-N 2 2 340.471 3.485 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCCC2 ZINC000084672737 454004654 /nfs/dbraw/zinc/00/46/54/454004654.db2.gz RQJSLTWYRYJTGQ-ZWKOTPCHSA-N 2 2 340.471 3.485 20 0 EGADLP CN(C)c1c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)ccc(F)c1F ZINC000623576225 460621625 /nfs/dbraw/zinc/62/16/25/460621625.db2.gz MBNYAQIUFWLYNM-UHFFFAOYSA-N 2 2 347.400 3.098 20 0 EGADLP COc1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc(OC)c1 ZINC000076901223 454047486 /nfs/dbraw/zinc/04/74/86/454047486.db2.gz PECGNWZZWYPPBM-UHFFFAOYSA-N 2 2 339.439 3.313 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000077446934 454106866 /nfs/dbraw/zinc/10/68/66/454106866.db2.gz ZLEOWVNETMLUKG-UHFFFAOYSA-N 2 2 341.459 3.085 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Nc3cc[nH+]cc3Cl)C2)cc(OC)c1 ZINC000088751541 454118341 /nfs/dbraw/zinc/11/83/41/454118341.db2.gz WNUZWTWAGPPWFS-AWEZNQCLSA-N 2 2 347.846 3.439 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Nc3cc[nH+]cc3Cl)C2)cc(OC)c1 ZINC000088751541 454118345 /nfs/dbraw/zinc/11/83/45/454118345.db2.gz WNUZWTWAGPPWFS-AWEZNQCLSA-N 2 2 347.846 3.439 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1O ZINC000058030576 454161349 /nfs/dbraw/zinc/16/13/49/454161349.db2.gz YBCQIBDGPJXNSG-UHFFFAOYSA-N 2 2 341.386 3.324 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1ccccc1 ZINC000089722677 454183673 /nfs/dbraw/zinc/18/36/73/454183673.db2.gz FTTHALUZNKOTRI-KRWDZBQOSA-N 2 2 325.456 3.103 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000119834464 454225906 /nfs/dbraw/zinc/22/59/06/454225906.db2.gz OARJPRGSSJMKLQ-ZDUSSCGKSA-N 2 2 345.409 3.354 20 0 EGADLP c1cn(CCCn2c3ccccc3[nH+]c2NCc2cccnc2)c[nH+]1 ZINC000095990279 454254159 /nfs/dbraw/zinc/25/41/59/454254159.db2.gz FDKIZTDIQPLJJL-UHFFFAOYSA-N 2 2 332.411 3.330 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000090003965 454260719 /nfs/dbraw/zinc/26/07/19/454260719.db2.gz SGTBBOXKIVYXDW-OAHLLOKOSA-N 2 2 335.398 3.476 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000090003965 454260722 /nfs/dbraw/zinc/26/07/22/454260722.db2.gz SGTBBOXKIVYXDW-OAHLLOKOSA-N 2 2 335.398 3.476 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000131609827 454268545 /nfs/dbraw/zinc/26/85/45/454268545.db2.gz RNGOXNUAMGKURQ-INIZCTEOSA-N 2 2 341.421 3.312 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000131609827 454268550 /nfs/dbraw/zinc/26/85/50/454268550.db2.gz RNGOXNUAMGKURQ-INIZCTEOSA-N 2 2 341.421 3.312 20 0 EGADLP COC(=O)[C@@H](c1ccccc1F)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000072605779 454317672 /nfs/dbraw/zinc/31/76/72/454317672.db2.gz BOWKXEXWLHLKBS-GOSISDBHSA-N 2 2 336.451 3.092 20 0 EGADLP COC(=O)[C@@H](c1ccccc1F)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000072605779 454317677 /nfs/dbraw/zinc/31/76/77/454317677.db2.gz BOWKXEXWLHLKBS-GOSISDBHSA-N 2 2 336.451 3.092 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014644 454324320 /nfs/dbraw/zinc/32/43/20/454324320.db2.gz XNZTWFWOGBCKKF-UHFFFAOYSA-N 2 2 343.862 3.188 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@H]1COc2ccccc21 ZINC000090844917 454343761 /nfs/dbraw/zinc/34/37/61/454343761.db2.gz OAGUBBNDXOXORC-OXQOHEQNSA-N 2 2 337.467 3.200 20 0 EGADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090846888 454344751 /nfs/dbraw/zinc/34/47/51/454344751.db2.gz ZGXMLFANMTWAJI-HNNXBMFYSA-N 2 2 347.484 3.045 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000078974198 454346812 /nfs/dbraw/zinc/34/68/12/454346812.db2.gz HVACUMQDDNKBKD-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000078974198 454346818 /nfs/dbraw/zinc/34/68/18/454346818.db2.gz HVACUMQDDNKBKD-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254462 454373196 /nfs/dbraw/zinc/37/31/96/454373196.db2.gz NFAXDGHJIXTZEI-AWEZNQCLSA-N 2 2 341.434 3.251 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121004683 454375788 /nfs/dbraw/zinc/37/57/88/454375788.db2.gz KPGFQPPSZDMZKC-SNRMKQJTSA-N 2 2 325.456 3.282 20 0 EGADLP c1csc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000097139707 454414101 /nfs/dbraw/zinc/41/41/01/454414101.db2.gz ZCYXWRIRVSSUPT-UHFFFAOYSA-N 2 2 336.424 3.009 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284491 454421557 /nfs/dbraw/zinc/42/15/57/454421557.db2.gz BWRSJFHOULLQIL-QWHCGFSZSA-N 2 2 332.879 3.362 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284491 454421562 /nfs/dbraw/zinc/42/15/62/454421562.db2.gz BWRSJFHOULLQIL-QWHCGFSZSA-N 2 2 332.879 3.362 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975928 460636441 /nfs/dbraw/zinc/63/64/41/460636441.db2.gz KAKNDXNRTLNBBM-HRAATJIYSA-N 2 2 332.451 3.240 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975928 460636444 /nfs/dbraw/zinc/63/64/44/460636444.db2.gz KAKNDXNRTLNBBM-HRAATJIYSA-N 2 2 332.451 3.240 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2OC)N2CCCC2)CC1 ZINC000121729168 454470888 /nfs/dbraw/zinc/47/08/88/454470888.db2.gz XULSQVRWSYQGKV-HXUWFJFHSA-N 2 2 345.531 3.296 20 0 EGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(O)c1 ZINC000182196569 455458747 /nfs/dbraw/zinc/45/87/47/455458747.db2.gz BRWYICZKVMABBI-QGZVFWFLSA-N 2 2 332.488 3.326 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071935 454516631 /nfs/dbraw/zinc/51/66/31/454516631.db2.gz OBAVLRDJBBWXJD-GFCCVEGCSA-N 2 2 343.381 3.458 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071935 454516633 /nfs/dbraw/zinc/51/66/33/454516633.db2.gz OBAVLRDJBBWXJD-GFCCVEGCSA-N 2 2 343.381 3.458 20 0 EGADLP CCC(=O)N1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000092187084 454533770 /nfs/dbraw/zinc/53/37/70/454533770.db2.gz MEJJUQBCNDIPMC-UHFFFAOYSA-N 2 2 345.531 3.089 20 0 EGADLP CCC(=O)N1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000092187084 454533771 /nfs/dbraw/zinc/53/37/71/454533771.db2.gz MEJJUQBCNDIPMC-UHFFFAOYSA-N 2 2 345.531 3.089 20 0 EGADLP CCC(=O)N1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000092187084 454533775 /nfs/dbraw/zinc/53/37/75/454533775.db2.gz MEJJUQBCNDIPMC-UHFFFAOYSA-N 2 2 345.531 3.089 20 0 EGADLP CCC(=O)N1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000092187084 454533776 /nfs/dbraw/zinc/53/37/76/454533776.db2.gz MEJJUQBCNDIPMC-UHFFFAOYSA-N 2 2 345.531 3.089 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871445 454600455 /nfs/dbraw/zinc/60/04/55/454600455.db2.gz WZNWCPKNEWKDDX-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134871445 454600460 /nfs/dbraw/zinc/60/04/60/454600460.db2.gz WZNWCPKNEWKDDX-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871445 454600465 /nfs/dbraw/zinc/60/04/65/454600465.db2.gz WZNWCPKNEWKDDX-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871445 454600469 /nfs/dbraw/zinc/60/04/69/454600469.db2.gz WZNWCPKNEWKDDX-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[N@@H+]1CCc2ccccc2C1 ZINC000123121909 454604647 /nfs/dbraw/zinc/60/46/47/454604647.db2.gz QZWVQXNZQIDFSF-PXNSSMCTSA-N 2 2 345.531 3.060 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[N@H+]1CCc2ccccc2C1 ZINC000123121909 454604649 /nfs/dbraw/zinc/60/46/49/454604649.db2.gz QZWVQXNZQIDFSF-PXNSSMCTSA-N 2 2 345.531 3.060 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908251 454606917 /nfs/dbraw/zinc/60/69/17/454606917.db2.gz OTJWXZLDHHOGOV-RDTXWAMCSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908251 454606922 /nfs/dbraw/zinc/60/69/22/454606922.db2.gz OTJWXZLDHHOGOV-RDTXWAMCSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000134908251 454606926 /nfs/dbraw/zinc/60/69/26/454606926.db2.gz OTJWXZLDHHOGOV-RDTXWAMCSA-N 2 2 347.890 3.227 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3cccs3)c2cc1C ZINC000051114749 454608928 /nfs/dbraw/zinc/60/89/28/454608928.db2.gz XZDMJGWKGDBGKV-HNNXBMFYSA-N 2 2 329.469 3.208 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3cccs3)c2cc1C ZINC000051114749 454608934 /nfs/dbraw/zinc/60/89/34/454608934.db2.gz XZDMJGWKGDBGKV-HNNXBMFYSA-N 2 2 329.469 3.208 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134920739 454610060 /nfs/dbraw/zinc/61/00/60/454610060.db2.gz SUUAJXHSLBOUQN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134920739 454610065 /nfs/dbraw/zinc/61/00/65/454610065.db2.gz SUUAJXHSLBOUQN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134920739 454610069 /nfs/dbraw/zinc/61/00/69/454610069.db2.gz SUUAJXHSLBOUQN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134920739 454610072 /nfs/dbraw/zinc/61/00/72/454610072.db2.gz SUUAJXHSLBOUQN-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134932173 454611546 /nfs/dbraw/zinc/61/15/46/454611546.db2.gz NZFSWATWEJBAIS-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134932173 454611549 /nfs/dbraw/zinc/61/15/49/454611549.db2.gz NZFSWATWEJBAIS-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134932173 454611553 /nfs/dbraw/zinc/61/15/53/454611553.db2.gz NZFSWATWEJBAIS-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135257038 454654015 /nfs/dbraw/zinc/65/40/15/454654015.db2.gz STVSWAKYYYUZSS-DOTOQJQBSA-N 2 2 347.434 3.321 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960692 454659305 /nfs/dbraw/zinc/65/93/05/454659305.db2.gz KXZYKTONJUOCHV-INIZCTEOSA-N 2 2 326.444 3.099 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960692 454659309 /nfs/dbraw/zinc/65/93/09/454659309.db2.gz KXZYKTONJUOCHV-INIZCTEOSA-N 2 2 326.444 3.099 20 0 EGADLP FC(F)(F)c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000635007177 460650367 /nfs/dbraw/zinc/65/03/67/460650367.db2.gz FGNDVTIRAFWSIV-HUUCEWRRSA-N 2 2 348.796 3.215 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281966 454722600 /nfs/dbraw/zinc/72/26/00/454722600.db2.gz QYTCNACKNGXHCS-LJQANCHMSA-N 2 2 345.531 3.236 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281966 454722604 /nfs/dbraw/zinc/72/26/04/454722604.db2.gz QYTCNACKNGXHCS-LJQANCHMSA-N 2 2 345.531 3.236 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281966 454722607 /nfs/dbraw/zinc/72/26/07/454722607.db2.gz QYTCNACKNGXHCS-LJQANCHMSA-N 2 2 345.531 3.236 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000176281966 454722609 /nfs/dbraw/zinc/72/26/09/454722609.db2.gz QYTCNACKNGXHCS-LJQANCHMSA-N 2 2 345.531 3.236 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1F ZINC000124365435 454723610 /nfs/dbraw/zinc/72/36/10/454723610.db2.gz HBUUYHWZOKHTCR-AWEZNQCLSA-N 2 2 343.406 3.464 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1F ZINC000124365435 454723614 /nfs/dbraw/zinc/72/36/14/454723614.db2.gz HBUUYHWZOKHTCR-AWEZNQCLSA-N 2 2 343.406 3.464 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124361918 454724018 /nfs/dbraw/zinc/72/40/18/454724018.db2.gz MEISUGUPKOHHTM-MRXNPFEDSA-N 2 2 328.460 3.356 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124361918 454724021 /nfs/dbraw/zinc/72/40/21/454724021.db2.gz MEISUGUPKOHHTM-MRXNPFEDSA-N 2 2 328.460 3.356 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865762 454741822 /nfs/dbraw/zinc/74/18/22/454741822.db2.gz HORDABBMYNDKQP-HXUWFJFHSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865762 454741825 /nfs/dbraw/zinc/74/18/25/454741825.db2.gz HORDABBMYNDKQP-HXUWFJFHSA-N 2 2 334.423 3.229 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCCC1 ZINC000162042892 454748088 /nfs/dbraw/zinc/74/80/88/454748088.db2.gz LZNKDNHUKLSLPT-QGZVFWFLSA-N 2 2 332.488 3.066 20 0 EGADLP Fc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)c1 ZINC000635010969 460653876 /nfs/dbraw/zinc/65/38/76/460653876.db2.gz CCHMWQXTXBJPSQ-RTWAWAEBSA-N 2 2 339.458 3.441 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000125285801 454811024 /nfs/dbraw/zinc/81/10/24/454811024.db2.gz IGVVDFONYIQHCP-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000125285801 454811025 /nfs/dbraw/zinc/81/10/25/454811025.db2.gz IGVVDFONYIQHCP-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125449728 454822954 /nfs/dbraw/zinc/82/29/54/454822954.db2.gz VPAXHNCDZKKNMA-KRWDZBQOSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125449728 454822959 /nfs/dbraw/zinc/82/29/59/454822959.db2.gz VPAXHNCDZKKNMA-KRWDZBQOSA-N 2 2 326.488 3.379 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795584 454837340 /nfs/dbraw/zinc/83/73/40/454837340.db2.gz GNKZESAWFCQWBU-UHFFFAOYSA-N 2 2 332.835 3.121 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccn(C)c2)CCOCC1)c1ccccc1 ZINC000125768463 454844516 /nfs/dbraw/zinc/84/45/16/454844516.db2.gz OOYDBAOUFDDIDV-QGZVFWFLSA-N 2 2 327.472 3.015 20 0 EGADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154287788 454881432 /nfs/dbraw/zinc/88/14/32/454881432.db2.gz BBENSMYEUCUIIW-PXNSSMCTSA-N 2 2 342.483 3.147 20 0 EGADLP CSCC[C@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000126263294 454881874 /nfs/dbraw/zinc/88/18/74/454881874.db2.gz FQBNUYSIHRMAPO-HOTGVXAUSA-N 2 2 335.517 3.087 20 0 EGADLP CSCC[C@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000126263294 454881877 /nfs/dbraw/zinc/88/18/77/454881877.db2.gz FQBNUYSIHRMAPO-HOTGVXAUSA-N 2 2 335.517 3.087 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000164959031 454891992 /nfs/dbraw/zinc/89/19/92/454891992.db2.gz NSMGIBHRHPSBGF-PXNSSMCTSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000164959031 454891995 /nfs/dbraw/zinc/89/19/95/454891995.db2.gz NSMGIBHRHPSBGF-PXNSSMCTSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367419 454900191 /nfs/dbraw/zinc/90/01/91/454900191.db2.gz PTIFBHUMJVOSKT-GQIGUUNPSA-N 3 2 333.495 3.108 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367419 454900193 /nfs/dbraw/zinc/90/01/93/454900193.db2.gz PTIFBHUMJVOSKT-GQIGUUNPSA-N 3 2 333.495 3.108 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000154649794 454915474 /nfs/dbraw/zinc/91/54/74/454915474.db2.gz WVORWEXIZVTGGU-OAHLLOKOSA-N 2 2 339.886 3.127 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000154649794 454915478 /nfs/dbraw/zinc/91/54/78/454915478.db2.gz WVORWEXIZVTGGU-OAHLLOKOSA-N 2 2 339.886 3.127 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000151031188 454927618 /nfs/dbraw/zinc/92/76/18/454927618.db2.gz WUTFJYADQNAJAY-MRXNPFEDSA-N 2 2 326.440 3.240 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000151121485 454941164 /nfs/dbraw/zinc/94/11/64/454941164.db2.gz AVTQVXPDJICUPS-GOEBONIOSA-N 2 2 345.466 3.097 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)C1 ZINC000151121485 454941168 /nfs/dbraw/zinc/94/11/68/454941168.db2.gz AVTQVXPDJICUPS-GOEBONIOSA-N 2 2 345.466 3.097 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000178330281 454948304 /nfs/dbraw/zinc/94/83/04/454948304.db2.gz FMGZIKBXCHMYEK-JSGCOSHPSA-N 2 2 330.394 3.111 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000178330281 454948306 /nfs/dbraw/zinc/94/83/06/454948306.db2.gz FMGZIKBXCHMYEK-JSGCOSHPSA-N 2 2 330.394 3.111 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000178331827 454948603 /nfs/dbraw/zinc/94/86/03/454948603.db2.gz LOZXCDGDPRFGKH-GOEBONIOSA-N 2 2 333.501 3.304 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000178331827 454948607 /nfs/dbraw/zinc/94/86/07/454948607.db2.gz LOZXCDGDPRFGKH-GOEBONIOSA-N 2 2 333.501 3.304 20 0 EGADLP COCc1cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)ccc1F ZINC000151227730 454955101 /nfs/dbraw/zinc/95/51/01/454955101.db2.gz QQDNAHKCANHRNA-UHFFFAOYSA-N 2 2 343.446 3.121 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000155374580 454993814 /nfs/dbraw/zinc/99/38/14/454993814.db2.gz BAGHDKMYLVMAES-PKOBYXMFSA-N 2 2 333.520 3.070 20 0 EGADLP CCC(CC)(CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000155374580 454993818 /nfs/dbraw/zinc/99/38/18/454993818.db2.gz BAGHDKMYLVMAES-PKOBYXMFSA-N 2 2 333.520 3.070 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000171163834 455039514 /nfs/dbraw/zinc/03/95/14/455039514.db2.gz HBTBUPIUCCVOEK-LJQANCHMSA-N 2 2 348.450 3.119 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000171163834 455039517 /nfs/dbraw/zinc/03/95/17/455039517.db2.gz HBTBUPIUCCVOEK-LJQANCHMSA-N 2 2 348.450 3.119 20 0 EGADLP C[NH+](C)CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)C ZINC000116231284 455048782 /nfs/dbraw/zinc/04/87/82/455048782.db2.gz JGPNBTBGRQKEHT-GOSISDBHSA-N 2 2 342.487 3.028 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000129168163 455100640 /nfs/dbraw/zinc/10/06/40/455100640.db2.gz FMVPIUQAFFMPIO-HZMBPMFUSA-N 2 2 327.241 3.303 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000129168163 455100643 /nfs/dbraw/zinc/10/06/43/455100643.db2.gz FMVPIUQAFFMPIO-HZMBPMFUSA-N 2 2 327.241 3.303 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000156334634 455106779 /nfs/dbraw/zinc/10/67/79/455106779.db2.gz AQGHMJSMIQMSDR-YOEHRIQHSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000156334634 455106781 /nfs/dbraw/zinc/10/67/81/455106781.db2.gz AQGHMJSMIQMSDR-YOEHRIQHSA-N 2 2 343.402 3.009 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000623656895 460662376 /nfs/dbraw/zinc/66/23/76/460662376.db2.gz FCPHYPXAHVTSBM-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000623656895 460662382 /nfs/dbraw/zinc/66/23/82/460662382.db2.gz FCPHYPXAHVTSBM-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152417865 455115930 /nfs/dbraw/zinc/11/59/30/455115930.db2.gz MUDNUOCBVXTYDF-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152417865 455115933 /nfs/dbraw/zinc/11/59/33/455115933.db2.gz MUDNUOCBVXTYDF-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152417865 455115936 /nfs/dbraw/zinc/11/59/36/455115936.db2.gz MUDNUOCBVXTYDF-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152417865 455115939 /nfs/dbraw/zinc/11/59/39/455115939.db2.gz MUDNUOCBVXTYDF-ZHALLVOQSA-N 2 2 345.531 3.088 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000156642351 455140697 /nfs/dbraw/zinc/14/06/97/455140697.db2.gz KQUYIZLSZZLQLZ-SLTXQBBLSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000156642351 455140702 /nfs/dbraw/zinc/14/07/02/455140702.db2.gz KQUYIZLSZZLQLZ-SLTXQBBLSA-N 2 2 337.508 3.037 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000180403754 455164400 /nfs/dbraw/zinc/16/44/00/455164400.db2.gz XQQMICJSGYCPAJ-AWEZNQCLSA-N 2 2 345.466 3.238 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157379492 455189462 /nfs/dbraw/zinc/18/94/62/455189462.db2.gz APHIEYJFCPEZBG-IBGZPJMESA-N 2 2 343.515 3.378 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157379492 455189466 /nfs/dbraw/zinc/18/94/66/455189466.db2.gz APHIEYJFCPEZBG-IBGZPJMESA-N 2 2 343.515 3.378 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000157412135 455192606 /nfs/dbraw/zinc/19/26/06/455192606.db2.gz DAPVHMRMSACNFP-SFHVURJKSA-N 2 2 335.536 3.118 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000157412135 455192612 /nfs/dbraw/zinc/19/26/12/455192612.db2.gz DAPVHMRMSACNFP-SFHVURJKSA-N 2 2 335.536 3.118 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157417550 455192851 /nfs/dbraw/zinc/19/28/51/455192851.db2.gz TUAADZAAJCEWKU-MOPGFXCFSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157417550 455192854 /nfs/dbraw/zinc/19/28/54/455192854.db2.gz TUAADZAAJCEWKU-MOPGFXCFSA-N 2 2 337.552 3.268 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(C(F)(F)F)cc1 ZINC000181059344 455282460 /nfs/dbraw/zinc/28/24/60/455282460.db2.gz FAVGEHCJRSFJIL-UHFFFAOYSA-N 2 2 327.350 3.303 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(C(F)(F)F)cc1 ZINC000181059344 455282463 /nfs/dbraw/zinc/28/24/63/455282463.db2.gz FAVGEHCJRSFJIL-UHFFFAOYSA-N 2 2 327.350 3.303 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421881 455293761 /nfs/dbraw/zinc/29/37/61/455293761.db2.gz IGYWGZPBLPJSDM-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421881 455293769 /nfs/dbraw/zinc/29/37/69/455293769.db2.gz IGYWGZPBLPJSDM-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421881 455293773 /nfs/dbraw/zinc/29/37/73/455293773.db2.gz IGYWGZPBLPJSDM-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421881 455293780 /nfs/dbraw/zinc/29/37/80/455293780.db2.gz IGYWGZPBLPJSDM-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463485 455307194 /nfs/dbraw/zinc/30/71/94/455307194.db2.gz XLDBQKNVNKOLGM-HOTGVXAUSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463485 455307200 /nfs/dbraw/zinc/30/72/00/455307200.db2.gz XLDBQKNVNKOLGM-HOTGVXAUSA-N 2 2 349.906 3.475 20 0 EGADLP CCCc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158941212 455340064 /nfs/dbraw/zinc/34/00/64/455340064.db2.gz HYIQNTGOJMHUKQ-INIZCTEOSA-N 2 2 334.508 3.499 20 0 EGADLP CCCc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158941212 455340059 /nfs/dbraw/zinc/34/00/59/455340059.db2.gz HYIQNTGOJMHUKQ-INIZCTEOSA-N 2 2 334.508 3.499 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000158994807 455343786 /nfs/dbraw/zinc/34/37/86/455343786.db2.gz OBMUEQLUYWZULA-FXAWDEMLSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000158994807 455343789 /nfs/dbraw/zinc/34/37/89/455343789.db2.gz OBMUEQLUYWZULA-FXAWDEMLSA-N 2 2 327.472 3.442 20 0 EGADLP CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000190690055 455367439 /nfs/dbraw/zinc/36/74/39/455367439.db2.gz VLDHDMBZMKPZGC-SFHVURJKSA-N 2 2 327.428 3.178 20 0 EGADLP CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000190690055 455367444 /nfs/dbraw/zinc/36/74/44/455367444.db2.gz VLDHDMBZMKPZGC-SFHVURJKSA-N 2 2 327.428 3.178 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245872478 455389841 /nfs/dbraw/zinc/38/98/41/455389841.db2.gz RYTGPVBQFBDUEE-GOEBONIOSA-N 2 2 341.484 3.428 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000245872478 455389843 /nfs/dbraw/zinc/38/98/43/455389843.db2.gz RYTGPVBQFBDUEE-GOEBONIOSA-N 2 2 341.484 3.428 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000181986282 455410152 /nfs/dbraw/zinc/41/01/52/455410152.db2.gz FJWJYSKTJUKJLP-INIZCTEOSA-N 2 2 325.456 3.428 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000181986282 455410159 /nfs/dbraw/zinc/41/01/59/455410159.db2.gz FJWJYSKTJUKJLP-INIZCTEOSA-N 2 2 325.456 3.428 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000182020622 455418086 /nfs/dbraw/zinc/41/80/86/455418086.db2.gz WKJKIJGZHKNIJH-UHFFFAOYSA-N 2 2 335.835 3.154 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000182020622 455418090 /nfs/dbraw/zinc/41/80/90/455418090.db2.gz WKJKIJGZHKNIJH-UHFFFAOYSA-N 2 2 335.835 3.154 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3o2)CC1 ZINC000182455202 455517279 /nfs/dbraw/zinc/51/72/79/455517279.db2.gz DBRKSKRQLNBPNE-OAHLLOKOSA-N 2 2 331.460 3.368 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246852332 455530264 /nfs/dbraw/zinc/53/02/64/455530264.db2.gz PCRPMKLLDHPVDU-HLIPFELVSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246852332 455530265 /nfs/dbraw/zinc/53/02/65/455530265.db2.gz PCRPMKLLDHPVDU-HLIPFELVSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246852332 455530267 /nfs/dbraw/zinc/53/02/67/455530267.db2.gz PCRPMKLLDHPVDU-HLIPFELVSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246852332 455530269 /nfs/dbraw/zinc/53/02/69/455530269.db2.gz PCRPMKLLDHPVDU-HLIPFELVSA-N 2 2 347.547 3.115 20 0 EGADLP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182517084 455530678 /nfs/dbraw/zinc/53/06/78/455530678.db2.gz RKSSYGAAMFXKAW-KBXCAEBGSA-N 2 2 326.431 3.364 20 0 EGADLP c1ccc2[nH]c(C[NH+]3CCN(c4cc[nH+]c5ccccc54)CC3)nc2c1 ZINC000192159997 455566497 /nfs/dbraw/zinc/56/64/97/455566497.db2.gz VPLJQTZPYDOVPX-UHFFFAOYSA-N 2 2 343.434 3.433 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247394825 455595963 /nfs/dbraw/zinc/59/59/63/455595963.db2.gz WKPIALQAPLMQSM-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247394825 455595970 /nfs/dbraw/zinc/59/59/70/455595970.db2.gz WKPIALQAPLMQSM-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1-n1cncn1 ZINC000185681640 455596077 /nfs/dbraw/zinc/59/60/77/455596077.db2.gz JWELRDXPUPWWNS-UWJYYQICSA-N 2 2 349.482 3.357 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688669 455596687 /nfs/dbraw/zinc/59/66/87/455596687.db2.gz MCFDODXHYORAMN-KBPBESRZSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688669 455596691 /nfs/dbraw/zinc/59/66/91/455596691.db2.gz MCFDODXHYORAMN-KBPBESRZSA-N 2 2 330.432 3.072 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)nc2)c[nH+]1 ZINC000268151076 455603015 /nfs/dbraw/zinc/60/30/15/455603015.db2.gz FHRVTIDCWANCLS-UHFFFAOYSA-N 2 2 347.466 3.216 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cn21 ZINC000185723219 455606782 /nfs/dbraw/zinc/60/67/82/455606782.db2.gz UERFKYDABJMOJO-IAGOWNOFSA-N 2 2 326.488 3.385 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cn21 ZINC000185723219 455606785 /nfs/dbraw/zinc/60/67/85/455606785.db2.gz UERFKYDABJMOJO-IAGOWNOFSA-N 2 2 326.488 3.385 20 0 EGADLP CC(C)CO[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929431 455613150 /nfs/dbraw/zinc/61/31/50/455613150.db2.gz CQEGKVCMXQFFEU-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929431 455613154 /nfs/dbraw/zinc/61/31/54/455613154.db2.gz CQEGKVCMXQFFEU-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929431 455613162 /nfs/dbraw/zinc/61/31/62/455613162.db2.gz CQEGKVCMXQFFEU-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929431 455613164 /nfs/dbraw/zinc/61/31/64/455613164.db2.gz CQEGKVCMXQFFEU-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193358 455614907 /nfs/dbraw/zinc/61/49/07/455614907.db2.gz NIWBBSVKHNLECC-AUUYWEPGSA-N 2 2 337.423 3.086 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193358 455614909 /nfs/dbraw/zinc/61/49/09/455614909.db2.gz NIWBBSVKHNLECC-AUUYWEPGSA-N 2 2 337.423 3.086 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC(C(=O)OC)CC1)Cc1ccccc1 ZINC000192438970 455616347 /nfs/dbraw/zinc/61/63/47/455616347.db2.gz NFYFVDAYQABTHD-MHJFOBGBSA-N 2 2 346.515 3.261 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C2 ZINC000192441583 455617344 /nfs/dbraw/zinc/61/73/44/455617344.db2.gz XLJJSKZKPJAEIC-QGZVFWFLSA-N 2 2 325.456 3.429 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)c3ccncc3)c2cc1C ZINC000271386943 455618612 /nfs/dbraw/zinc/61/86/12/455618612.db2.gz LCBXSGIBSCRUET-WMZOPIPTSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)c3ccncc3)c2cc1C ZINC000271386943 455618618 /nfs/dbraw/zinc/61/86/18/455618618.db2.gz LCBXSGIBSCRUET-WMZOPIPTSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247642826 455632046 /nfs/dbraw/zinc/63/20/46/455632046.db2.gz TWQKOAKPIMAUFE-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247642826 455632053 /nfs/dbraw/zinc/63/20/53/455632053.db2.gz TWQKOAKPIMAUFE-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247642826 455632058 /nfs/dbraw/zinc/63/20/58/455632058.db2.gz TWQKOAKPIMAUFE-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247642826 455632063 /nfs/dbraw/zinc/63/20/63/455632063.db2.gz TWQKOAKPIMAUFE-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247774281 455644931 /nfs/dbraw/zinc/64/49/31/455644931.db2.gz WOPDLIKGFTXPTG-CPUCHLNUSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247774281 455644936 /nfs/dbraw/zinc/64/49/36/455644936.db2.gz WOPDLIKGFTXPTG-CPUCHLNUSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248039658 455672827 /nfs/dbraw/zinc/67/28/27/455672827.db2.gz LWPYVRYFFLFCGS-HMXCVIKNSA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)CC[NH+]1Cc1ccccc1 ZINC000248039658 455672843 /nfs/dbraw/zinc/67/28/43/455672843.db2.gz LWPYVRYFFLFCGS-HMXCVIKNSA-N 3 2 329.532 3.456 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000284452499 455688423 /nfs/dbraw/zinc/68/84/23/455688423.db2.gz SOVCLAMPAZSRGN-GDBMZVCRSA-N 2 2 339.911 3.024 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000284452499 455688425 /nfs/dbraw/zinc/68/84/25/455688425.db2.gz SOVCLAMPAZSRGN-GDBMZVCRSA-N 2 2 339.911 3.024 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268775876 455712799 /nfs/dbraw/zinc/71/27/99/455712799.db2.gz VTUWREHBNUHQLY-XLIONFOSSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268775876 455712800 /nfs/dbraw/zinc/71/28/00/455712800.db2.gz VTUWREHBNUHQLY-XLIONFOSSA-N 3 2 327.516 3.256 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268945928 455740136 /nfs/dbraw/zinc/74/01/36/455740136.db2.gz WPBQYGXPKVHUQL-LQWHRVPQSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268945928 455740144 /nfs/dbraw/zinc/74/01/44/455740144.db2.gz WPBQYGXPKVHUQL-LQWHRVPQSA-N 3 2 340.515 3.470 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950640 455741540 /nfs/dbraw/zinc/74/15/40/455741540.db2.gz VBVIJVJBZLHUID-CABCVRRESA-N 2 2 347.503 3.451 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000268950640 455741548 /nfs/dbraw/zinc/74/15/48/455741548.db2.gz VBVIJVJBZLHUID-CABCVRRESA-N 2 2 347.503 3.451 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000278158538 455773277 /nfs/dbraw/zinc/77/32/77/455773277.db2.gz ATZSBVJLZVSXJC-SXLOBPIMSA-N 2 2 340.467 3.130 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000278158538 455773283 /nfs/dbraw/zinc/77/32/83/455773283.db2.gz ATZSBVJLZVSXJC-SXLOBPIMSA-N 2 2 340.467 3.130 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccncc1 ZINC000272188378 455871221 /nfs/dbraw/zinc/87/12/21/455871221.db2.gz GURBEUIHHQPBRH-HNNXBMFYSA-N 2 2 325.460 3.180 20 0 EGADLP CC[N@@H+](Cc1ccc(CO)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000272206000 455876918 /nfs/dbraw/zinc/87/69/18/455876918.db2.gz BFFZBWMWJYKJMJ-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP CC[N@H+](Cc1ccc(CO)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000272206000 455876920 /nfs/dbraw/zinc/87/69/20/455876920.db2.gz BFFZBWMWJYKJMJ-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251443 455892967 /nfs/dbraw/zinc/89/29/67/455892967.db2.gz CCDHTKWMZBOXRB-SJLPKXTDSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251443 455892973 /nfs/dbraw/zinc/89/29/73/455892973.db2.gz CCDHTKWMZBOXRB-SJLPKXTDSA-N 2 2 338.455 3.422 20 0 EGADLP C[C@H](c1cccnc1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285694642 455898456 /nfs/dbraw/zinc/89/84/56/455898456.db2.gz RFNHKLTUYOOSMA-LJQANCHMSA-N 2 2 338.499 3.287 20 0 EGADLP C[C@H](c1cccnc1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285694642 455898459 /nfs/dbraw/zinc/89/84/59/455898459.db2.gz RFNHKLTUYOOSMA-LJQANCHMSA-N 2 2 338.499 3.287 20 0 EGADLP CCC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000261717669 455934715 /nfs/dbraw/zinc/93/47/15/455934715.db2.gz PTHOIICPGJUQFS-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000261717669 455934720 /nfs/dbraw/zinc/93/47/20/455934720.db2.gz PTHOIICPGJUQFS-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP Cc1ccc2[nH+]c(CNc3ccc(C[NH+]4CCOCC4)cc3)cn2c1 ZINC000272405278 455939000 /nfs/dbraw/zinc/93/90/00/455939000.db2.gz XZJSZFRQAIQCMV-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP COc1ccnc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000270387444 455945648 /nfs/dbraw/zinc/94/56/48/455945648.db2.gz XLBMSLRHXGAVPK-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccnc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)c1 ZINC000270387444 455945652 /nfs/dbraw/zinc/94/56/52/455945652.db2.gz XLBMSLRHXGAVPK-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000261841236 455957468 /nfs/dbraw/zinc/95/74/68/455957468.db2.gz UYSHVQMLRMHUAS-MAUKXSAKSA-N 2 2 338.455 3.342 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c[nH+]1 ZINC000270521891 455973971 /nfs/dbraw/zinc/97/39/71/455973971.db2.gz RVTJDWYYKBNAKO-ZCNNSNEGSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1scnc1C1CC1)C[C@H]1CC[NH2+]C1 ZINC000261963931 455978437 /nfs/dbraw/zinc/97/84/37/455978437.db2.gz PPOLMDRHDYRKBW-ZDUSSCGKSA-N 2 2 348.541 3.397 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1scnc1C1CC1)C[C@H]1CC[NH2+]C1 ZINC000261963931 455978443 /nfs/dbraw/zinc/97/84/43/455978443.db2.gz PPOLMDRHDYRKBW-ZDUSSCGKSA-N 2 2 348.541 3.397 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3Br)C[C@@H]21 ZINC000261973659 455980488 /nfs/dbraw/zinc/98/04/88/455980488.db2.gz QPFJKJMEGQPNCC-JRPNMDOOSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3Br)C[C@@H]21 ZINC000261973659 455980491 /nfs/dbraw/zinc/98/04/91/455980491.db2.gz QPFJKJMEGQPNCC-JRPNMDOOSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000272524030 455981834 /nfs/dbraw/zinc/98/18/34/455981834.db2.gz OCFFGXHQKOBVDC-OAHLLOKOSA-N 2 2 329.444 3.141 20 0 EGADLP CN(C)c1ccccc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272548318 455990749 /nfs/dbraw/zinc/99/07/49/455990749.db2.gz LSGHEJYDBCYHMV-UHFFFAOYSA-N 2 2 329.410 3.259 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)c1OC ZINC000286176938 455993944 /nfs/dbraw/zinc/99/39/44/455993944.db2.gz QDUNBYRVBPDUID-OAHLLOKOSA-N 2 2 328.456 3.479 20 0 EGADLP Fc1ccc([C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090703 455994773 /nfs/dbraw/zinc/99/47/73/455994773.db2.gz YRMRBPCWBYFMBX-OALUTQOASA-N 2 2 342.462 3.492 20 0 EGADLP Fc1ccc([C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090703 455994779 /nfs/dbraw/zinc/99/47/79/455994779.db2.gz YRMRBPCWBYFMBX-OALUTQOASA-N 2 2 342.462 3.492 20 0 EGADLP COCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000272577769 456000373 /nfs/dbraw/zinc/00/03/73/456000373.db2.gz PYGNZVABLMTNNY-SFHVURJKSA-N 2 2 329.444 3.006 20 0 EGADLP COCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C)o1 ZINC000272593424 456006298 /nfs/dbraw/zinc/00/62/98/456006298.db2.gz IDHRGMCEPKNPAV-KRWDZBQOSA-N 2 2 329.444 3.319 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286349707 456029841 /nfs/dbraw/zinc/02/98/41/456029841.db2.gz ZEQFPAQKXGKDAK-RMYJWEKJSA-N 2 2 340.870 3.365 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286349707 456029844 /nfs/dbraw/zinc/02/98/44/456029844.db2.gz ZEQFPAQKXGKDAK-RMYJWEKJSA-N 2 2 340.870 3.365 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000286387671 456038603 /nfs/dbraw/zinc/03/86/03/456038603.db2.gz OSGGSGHNXZTNET-UONOGXRCSA-N 2 2 331.847 3.188 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695364 456041735 /nfs/dbraw/zinc/04/17/35/456041735.db2.gz XRXVFIWTOOUBFX-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695364 456041738 /nfs/dbraw/zinc/04/17/38/456041738.db2.gz XRXVFIWTOOUBFX-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695364 456041742 /nfs/dbraw/zinc/04/17/42/456041742.db2.gz XRXVFIWTOOUBFX-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695364 456041745 /nfs/dbraw/zinc/04/17/45/456041745.db2.gz XRXVFIWTOOUBFX-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCn1cc[nH+]c1C ZINC000270808179 456043285 /nfs/dbraw/zinc/04/32/85/456043285.db2.gz GWAYVDMNNSGYMX-UHFFFAOYSA-N 2 2 337.471 3.434 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCn1cc[nH+]c1C ZINC000270808179 456043288 /nfs/dbraw/zinc/04/32/88/456043288.db2.gz GWAYVDMNNSGYMX-UHFFFAOYSA-N 2 2 337.471 3.434 20 0 EGADLP Clc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752198 456045246 /nfs/dbraw/zinc/04/52/46/456045246.db2.gz BRLDLVXBUBBARE-QZTJIDSGSA-N 2 2 349.906 3.211 20 0 EGADLP Clc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752198 456045251 /nfs/dbraw/zinc/04/52/51/456045251.db2.gz BRLDLVXBUBBARE-QZTJIDSGSA-N 2 2 349.906 3.211 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000286429032 456046062 /nfs/dbraw/zinc/04/60/62/456046062.db2.gz RPZXRVXGQCYJBJ-UKRRQHHQSA-N 2 2 331.847 3.188 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]([NH3+])Cc3ccccc3)cc2[nH+]1 ZINC000262633437 456049000 /nfs/dbraw/zinc/04/90/00/456049000.db2.gz HMQVCTJNOBQHHX-MRXNPFEDSA-N 2 2 336.439 3.414 20 0 EGADLP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000296852852 456053409 /nfs/dbraw/zinc/05/34/09/456053409.db2.gz HQENPQCSBQZZCV-INIZCTEOSA-N 2 2 339.439 3.430 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3ccccc3)n2)C1 ZINC000262686767 456053490 /nfs/dbraw/zinc/05/34/90/456053490.db2.gz YPTCPWKMPAMJRQ-CZUORRHYSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])c3ccccc3)n2)C1 ZINC000262686767 456053495 /nfs/dbraw/zinc/05/34/95/456053495.db2.gz YPTCPWKMPAMJRQ-CZUORRHYSA-N 2 2 344.484 3.014 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc(C)[nH+]1 ZINC000301366165 456100734 /nfs/dbraw/zinc/10/07/34/456100734.db2.gz SIRAGPNOFHIZDK-UHFFFAOYSA-N 2 2 336.892 3.385 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000229505760 456129833 /nfs/dbraw/zinc/12/98/33/456129833.db2.gz HEGXDCCTTSFBAN-QMMMGPOBSA-N 2 2 325.172 3.165 20 0 EGADLP CCC[C@@](C)(O)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000273074697 456168494 /nfs/dbraw/zinc/16/84/94/456168494.db2.gz JXKLNYQYLUOUSP-OAHLLOKOSA-N 2 2 340.265 3.046 20 0 EGADLP Cc1nc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c(C)[nH+]1 ZINC000301679557 456185337 /nfs/dbraw/zinc/18/53/37/456185337.db2.gz JBSTZBVKVGACJT-GJZGRUSLSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329124 456186715 /nfs/dbraw/zinc/18/67/15/456186715.db2.gz NUNJQKZXGBVIDL-WBVHZDCISA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(OC(F)F)cc1 ZINC000297329124 456186720 /nfs/dbraw/zinc/18/67/20/456186720.db2.gz NUNJQKZXGBVIDL-WBVHZDCISA-N 2 2 342.430 3.176 20 0 EGADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000236866890 456194185 /nfs/dbraw/zinc/19/41/85/456194185.db2.gz KOIDCLGENMAWSH-INIZCTEOSA-N 2 2 326.444 3.342 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C[C@H](C)O1 ZINC000301894752 456244682 /nfs/dbraw/zinc/24/46/82/456244682.db2.gz SZNMJZLWOWYEPW-IYBDPMFKSA-N 2 2 342.487 3.279 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C[C@H](C)O1 ZINC000301894752 456244690 /nfs/dbraw/zinc/24/46/90/456244690.db2.gz SZNMJZLWOWYEPW-IYBDPMFKSA-N 2 2 342.487 3.279 20 0 EGADLP Nc1nc(NCCC[N@H+]2CCc3ccccc3C2)[nH+]c2ccccc12 ZINC000301900241 456245962 /nfs/dbraw/zinc/24/59/62/456245962.db2.gz YXYOHQCOKSXRBS-UHFFFAOYSA-N 2 2 333.439 3.072 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3CCC[N@@H+](C(C)C)C3)c2c1 ZINC000301916098 456251057 /nfs/dbraw/zinc/25/10/57/456251057.db2.gz DMJQNYBZWNDWCL-OAHLLOKOSA-N 2 2 328.460 3.479 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3CCC[N@H+](C(C)C)C3)c2c1 ZINC000301916098 456251061 /nfs/dbraw/zinc/25/10/61/456251061.db2.gz DMJQNYBZWNDWCL-OAHLLOKOSA-N 2 2 328.460 3.479 20 0 EGADLP CCOc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1CO ZINC000297629742 456266689 /nfs/dbraw/zinc/26/66/89/456266689.db2.gz HSNPZZNPCVBEMD-UHFFFAOYSA-N 2 2 327.428 3.054 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275691060 456287270 /nfs/dbraw/zinc/28/72/70/456287270.db2.gz WYHNULLFDJFVOZ-LIRRHRJNSA-N 2 2 325.412 3.485 20 0 EGADLP CCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1OC(F)F ZINC000290330250 456294849 /nfs/dbraw/zinc/29/48/49/456294849.db2.gz DPNOGIXQLUGJSD-UHFFFAOYSA-N 2 2 339.386 3.405 20 0 EGADLP CCOc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1OC(F)F ZINC000290330250 456294855 /nfs/dbraw/zinc/29/48/55/456294855.db2.gz DPNOGIXQLUGJSD-UHFFFAOYSA-N 2 2 339.386 3.405 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000352773554 456295525 /nfs/dbraw/zinc/29/55/25/456295525.db2.gz UIIFQRMOBRBGPM-ZDUSSCGKSA-N 2 2 349.500 3.463 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1O ZINC000340220843 456322396 /nfs/dbraw/zinc/32/23/96/456322396.db2.gz FSJCOJAULWYBHJ-QZTJIDSGSA-N 2 2 326.440 3.326 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1O ZINC000340220843 456322398 /nfs/dbraw/zinc/32/23/98/456322398.db2.gz FSJCOJAULWYBHJ-QZTJIDSGSA-N 2 2 326.440 3.326 20 0 EGADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000342934034 456322750 /nfs/dbraw/zinc/32/27/50/456322750.db2.gz QEDPLALJINQMDX-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000342934034 456322755 /nfs/dbraw/zinc/32/27/55/456322755.db2.gz QEDPLALJINQMDX-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Nc3cc(C)cc[nH+]3)C2)cc(OC)c1 ZINC000347734473 456336882 /nfs/dbraw/zinc/33/68/82/456336882.db2.gz HHVOGBXHFCSBGW-INIZCTEOSA-N 2 2 327.428 3.094 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Nc3cc(C)cc[nH+]3)C2)cc(OC)c1 ZINC000347734473 456336888 /nfs/dbraw/zinc/33/68/88/456336888.db2.gz HHVOGBXHFCSBGW-INIZCTEOSA-N 2 2 327.428 3.094 20 0 EGADLP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1O ZINC000290490956 456342844 /nfs/dbraw/zinc/34/28/44/456342844.db2.gz OPVJCBJOBQKAHZ-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1O ZINC000290490956 456342849 /nfs/dbraw/zinc/34/28/49/456342849.db2.gz OPVJCBJOBQKAHZ-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COC(=O)c1occc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000347742739 456343343 /nfs/dbraw/zinc/34/33/43/456343343.db2.gz OKWPMRQZSSZIOJ-UHFFFAOYSA-N 2 2 330.428 3.196 20 0 EGADLP COC(=O)c1occc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000347742739 456343351 /nfs/dbraw/zinc/34/33/51/456343351.db2.gz OKWPMRQZSSZIOJ-UHFFFAOYSA-N 2 2 330.428 3.196 20 0 EGADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000340254997 456345175 /nfs/dbraw/zinc/34/51/75/456345175.db2.gz FNFVVRNIKHPFCK-KRWDZBQOSA-N 2 2 327.428 3.411 20 0 EGADLP Oc1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc(C(F)(F)F)c1 ZINC000352832308 456346177 /nfs/dbraw/zinc/34/61/77/456346177.db2.gz FFBBMDNSPKWQKC-UHFFFAOYSA-N 2 2 335.329 3.391 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258015 456347250 /nfs/dbraw/zinc/34/72/50/456347250.db2.gz ZDGJMWNKHOELPW-ZCNNSNEGSA-N 3 2 338.499 3.494 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CCC2 ZINC000340258015 456347253 /nfs/dbraw/zinc/34/72/53/456347253.db2.gz ZDGJMWNKHOELPW-ZCNNSNEGSA-N 3 2 338.499 3.494 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402814 456350533 /nfs/dbraw/zinc/35/05/33/456350533.db2.gz LJAJUPNGUNRUNB-KXBFYZLASA-N 2 2 334.891 3.372 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402814 456350536 /nfs/dbraw/zinc/35/05/36/456350536.db2.gz LJAJUPNGUNRUNB-KXBFYZLASA-N 2 2 334.891 3.372 20 0 EGADLP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000276183868 456407457 /nfs/dbraw/zinc/40/74/57/456407457.db2.gz HHSUFZLVODIOLW-GFCCVEGCSA-N 2 2 345.340 3.440 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000347855454 456408513 /nfs/dbraw/zinc/40/85/13/456408513.db2.gz NIWSMBGRCGCPRK-UHFFFAOYSA-N 2 2 325.460 3.088 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000347855454 456408520 /nfs/dbraw/zinc/40/85/20/456408520.db2.gz NIWSMBGRCGCPRK-UHFFFAOYSA-N 2 2 325.460 3.088 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340371206 456419550 /nfs/dbraw/zinc/41/95/50/456419550.db2.gz QQLMUHGHDOYMSS-PKOBYXMFSA-N 2 2 327.428 3.084 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375981 456423247 /nfs/dbraw/zinc/42/32/47/456423247.db2.gz VCDCETLULIVDLA-UEKLYDJUSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C[C@H]1c1ccccc1 ZINC000340375981 456423255 /nfs/dbraw/zinc/42/32/55/456423255.db2.gz VCDCETLULIVDLA-UEKLYDJUSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1cccc(-n2ccnn2)c1 ZINC000348106276 456485049 /nfs/dbraw/zinc/48/50/49/456485049.db2.gz SVTHPTUUXQCPIU-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164719 456431765 /nfs/dbraw/zinc/43/17/65/456431765.db2.gz UODBUPUNNMXBLX-PWIZWCRZSA-N 2 2 337.467 3.057 20 0 EGADLP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282164719 456431775 /nfs/dbraw/zinc/43/17/75/456431775.db2.gz UODBUPUNNMXBLX-PWIZWCRZSA-N 2 2 337.467 3.057 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000348033629 456439512 /nfs/dbraw/zinc/43/95/12/456439512.db2.gz BFPMGXYXDOWGPA-IBGZPJMESA-N 2 2 331.504 3.412 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H](C)C1 ZINC000340490839 456488358 /nfs/dbraw/zinc/48/83/58/456488358.db2.gz SGJXMUXUCODYBI-UGSOOPFHSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@@H](C)C1 ZINC000340490839 456488364 /nfs/dbraw/zinc/48/83/64/456488364.db2.gz SGJXMUXUCODYBI-UGSOOPFHSA-N 2 2 344.421 3.331 20 0 EGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348191488 456526413 /nfs/dbraw/zinc/52/64/13/456526413.db2.gz HBAFWWGYQGDQBI-KRWDZBQOSA-N 2 2 346.496 3.083 20 0 EGADLP CC(C)[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1[nH]cc[nH+]1 ZINC000276624613 456534290 /nfs/dbraw/zinc/53/42/90/456534290.db2.gz ONWDKNHXTBJCIM-KRWDZBQOSA-N 2 2 326.444 3.133 20 0 EGADLP CCCn1nccc1C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348292023 456601912 /nfs/dbraw/zinc/60/19/12/456601912.db2.gz WUVYWPRWVMWXIC-UHFFFAOYSA-N 2 2 347.532 3.191 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)cc3Cl)CC2)c1 ZINC000353289750 456614434 /nfs/dbraw/zinc/61/44/34/456614434.db2.gz UYDHPDJOXPNHPF-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)c3ccncc3F)sc2C1 ZINC000337953139 456618885 /nfs/dbraw/zinc/61/88/85/456618885.db2.gz YKKYIXKWJJKQLS-LBPRGKRZSA-N 2 2 334.464 3.295 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)c3ccncc3F)sc2C1 ZINC000337953139 456618891 /nfs/dbraw/zinc/61/88/91/456618891.db2.gz YKKYIXKWJJKQLS-LBPRGKRZSA-N 2 2 334.464 3.295 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C1CC1 ZINC000348325882 456624559 /nfs/dbraw/zinc/62/45/59/456624559.db2.gz XOGFJFIGXWCWLU-WMZOPIPTSA-N 2 2 345.535 3.481 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119596 456688486 /nfs/dbraw/zinc/68/84/86/456688486.db2.gz NIOUDAHXDVCGSE-RDJZCZTQSA-N 2 2 331.485 3.085 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncs1 ZINC000277119596 456688489 /nfs/dbraw/zinc/68/84/89/456688489.db2.gz NIOUDAHXDVCGSE-RDJZCZTQSA-N 2 2 331.485 3.085 20 0 EGADLP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338228149 456717836 /nfs/dbraw/zinc/71/78/36/456717836.db2.gz BDIDQTLSCYNRND-INIZCTEOSA-N 2 2 339.439 3.430 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000338296570 456753948 /nfs/dbraw/zinc/75/39/48/456753948.db2.gz NYNMVAVDVUVABI-KEYYUXOJSA-N 2 2 330.501 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000338296570 456753956 /nfs/dbraw/zinc/75/39/56/456753956.db2.gz NYNMVAVDVUVABI-KEYYUXOJSA-N 2 2 330.501 3.408 20 0 EGADLP COC(=O)c1ccccc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578907 456777284 /nfs/dbraw/zinc/77/72/84/456777284.db2.gz VNKGJQMWXPVEPV-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578907 456777290 /nfs/dbraw/zinc/77/72/90/456777290.db2.gz VNKGJQMWXPVEPV-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1ccccc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353578907 456777295 /nfs/dbraw/zinc/77/72/95/456777295.db2.gz VNKGJQMWXPVEPV-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1ccccc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353578907 456777300 /nfs/dbraw/zinc/77/73/00/456777300.db2.gz VNKGJQMWXPVEPV-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368536 456797695 /nfs/dbraw/zinc/79/76/95/456797695.db2.gz XMDPJAWZNDACJC-MOPGFXCFSA-N 2 2 343.515 3.133 20 0 EGADLP Cc1cc(C)c(N2CC[C@H]([N@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368536 456797702 /nfs/dbraw/zinc/79/77/02/456797702.db2.gz XMDPJAWZNDACJC-MOPGFXCFSA-N 2 2 343.515 3.133 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616521 456806689 /nfs/dbraw/zinc/80/66/89/456806689.db2.gz AVSSHVYQKVNQPK-SESVDKBCSA-N 2 2 338.499 3.499 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616521 456806695 /nfs/dbraw/zinc/80/66/95/456806695.db2.gz AVSSHVYQKVNQPK-SESVDKBCSA-N 2 2 338.499 3.499 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000353636913 456820000 /nfs/dbraw/zinc/82/00/00/456820000.db2.gz IXCSCOQZAKTSSA-UHFFFAOYSA-N 2 2 343.862 3.176 20 0 EGADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277445687 456827525 /nfs/dbraw/zinc/82/75/25/456827525.db2.gz FSMRBTOREQWTOG-QWHCGFSZSA-N 2 2 345.830 3.350 20 0 EGADLP Cc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000341499983 456869739 /nfs/dbraw/zinc/86/97/39/456869739.db2.gz NXBWIIPARRNNPG-UHFFFAOYSA-N 2 2 336.483 3.408 20 0 EGADLP C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341513982 456872723 /nfs/dbraw/zinc/87/27/23/456872723.db2.gz UYUVXSRZXSFFAB-PXNSSMCTSA-N 2 2 331.504 3.231 20 0 EGADLP c1cn(Cc2ccc(NCCCCCOc3ccccc3)[nH+]c2)c[nH+]1 ZINC000348836470 456877298 /nfs/dbraw/zinc/87/72/98/456877298.db2.gz WNWQVGLSLLZJFH-UHFFFAOYSA-N 2 2 336.439 3.410 20 0 EGADLP Cc1ccc(CCC[N@H+](CC(=O)N2CCCCCC2)C(C)C)c[nH+]1 ZINC000348838792 456878916 /nfs/dbraw/zinc/87/89/16/456878916.db2.gz REKINZJSNZXJLC-UHFFFAOYSA-N 2 2 331.504 3.436 20 0 EGADLP Cc1ccc(CCC[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c[nH+]1 ZINC000348838792 456878919 /nfs/dbraw/zinc/87/89/19/456878919.db2.gz REKINZJSNZXJLC-UHFFFAOYSA-N 2 2 331.504 3.436 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749585 456888164 /nfs/dbraw/zinc/88/81/64/456888164.db2.gz VQZWYVGLXCAVMT-GJZGRUSLSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749585 456888171 /nfs/dbraw/zinc/88/81/71/456888171.db2.gz VQZWYVGLXCAVMT-GJZGRUSLSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749585 456888175 /nfs/dbraw/zinc/88/81/75/456888175.db2.gz VQZWYVGLXCAVMT-GJZGRUSLSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749585 456888178 /nfs/dbraw/zinc/88/81/78/456888178.db2.gz VQZWYVGLXCAVMT-GJZGRUSLSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749703 456888337 /nfs/dbraw/zinc/88/83/37/456888337.db2.gz GHLRHJISXHARGL-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749703 456888342 /nfs/dbraw/zinc/88/83/42/456888342.db2.gz GHLRHJISXHARGL-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749703 456888346 /nfs/dbraw/zinc/88/83/46/456888346.db2.gz GHLRHJISXHARGL-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749703 456888349 /nfs/dbraw/zinc/88/83/49/456888349.db2.gz GHLRHJISXHARGL-HOCLYGCPSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752091 456890417 /nfs/dbraw/zinc/89/04/17/456890417.db2.gz ZWTRDRUSUCXPFK-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752091 456890422 /nfs/dbraw/zinc/89/04/22/456890422.db2.gz ZWTRDRUSUCXPFK-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752091 456890427 /nfs/dbraw/zinc/89/04/27/456890427.db2.gz ZWTRDRUSUCXPFK-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752091 456890430 /nfs/dbraw/zinc/89/04/30/456890430.db2.gz ZWTRDRUSUCXPFK-ZBFHGGJFSA-N 2 2 336.476 3.017 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC(C)C ZINC000349188160 456907048 /nfs/dbraw/zinc/90/70/48/456907048.db2.gz LBMMYHDBWCAHMA-QGZVFWFLSA-N 2 2 343.471 3.453 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC(C)C ZINC000349188160 456907053 /nfs/dbraw/zinc/90/70/53/456907053.db2.gz LBMMYHDBWCAHMA-QGZVFWFLSA-N 2 2 343.471 3.453 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)[nH]1 ZINC000353897939 456956729 /nfs/dbraw/zinc/95/67/29/456956729.db2.gz IGNOYAQIXNHPDX-UHFFFAOYSA-N 2 2 332.451 3.395 20 0 EGADLP CCCCCOc1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000353901700 456958438 /nfs/dbraw/zinc/95/84/38/456958438.db2.gz RKWRRCRDPFKPJG-UHFFFAOYSA-N 2 2 342.487 3.297 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c[nH+]1 ZINC000339223761 457001667 /nfs/dbraw/zinc/00/16/67/457001667.db2.gz UQCKUAOLEPMLKA-HUUCEWRRSA-N 2 2 340.471 3.126 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000341929160 457007437 /nfs/dbraw/zinc/00/74/37/457007437.db2.gz MFVZINNGQMXFDH-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000341929160 457007441 /nfs/dbraw/zinc/00/74/41/457007441.db2.gz MFVZINNGQMXFDH-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000346127741 457019505 /nfs/dbraw/zinc/01/95/05/457019505.db2.gz JLNFZEDTDCXVEW-KRWDZBQOSA-N 2 2 326.440 3.294 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000346127741 457019510 /nfs/dbraw/zinc/01/95/10/457019510.db2.gz JLNFZEDTDCXVEW-KRWDZBQOSA-N 2 2 326.440 3.294 20 0 EGADLP Cn1ncc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356524196 457035686 /nfs/dbraw/zinc/03/56/86/457035686.db2.gz KKOMYFOPUHZEBU-IRXDYDNUSA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356524196 457035692 /nfs/dbraw/zinc/03/56/92/457035692.db2.gz KKOMYFOPUHZEBU-IRXDYDNUSA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356524196 457035698 /nfs/dbraw/zinc/03/56/98/457035698.db2.gz KKOMYFOPUHZEBU-IRXDYDNUSA-N 2 2 344.890 3.027 20 0 EGADLP Cn1ncc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356524196 457035702 /nfs/dbraw/zinc/03/57/02/457035702.db2.gz KKOMYFOPUHZEBU-IRXDYDNUSA-N 2 2 344.890 3.027 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC([NH+](C)C)C2)c1 ZINC000349834191 457070480 /nfs/dbraw/zinc/07/04/80/457070480.db2.gz MPRFEEHXSBDGEB-UHFFFAOYSA-N 2 2 341.459 3.128 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653614 457094098 /nfs/dbraw/zinc/09/40/98/457094098.db2.gz DUSGYZHWHIIZAJ-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653614 457094103 /nfs/dbraw/zinc/09/41/03/457094103.db2.gz DUSGYZHWHIIZAJ-VHSXEESVSA-N 2 2 349.219 3.220 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000356666723 457110274 /nfs/dbraw/zinc/11/02/74/457110274.db2.gz APJMAKZDHWJIAG-XLIONFOSSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000356666723 457110279 /nfs/dbraw/zinc/11/02/79/457110279.db2.gz APJMAKZDHWJIAG-XLIONFOSSA-N 2 2 327.472 3.442 20 0 EGADLP CN(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccsc1 ZINC000359684549 457113931 /nfs/dbraw/zinc/11/39/31/457113931.db2.gz YVEXUKFTIDBINL-LJQANCHMSA-N 2 2 344.528 3.000 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000346695614 457116056 /nfs/dbraw/zinc/11/60/56/457116056.db2.gz DUEZVYJCCDLRCA-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000346695614 457116061 /nfs/dbraw/zinc/11/60/61/457116061.db2.gz DUEZVYJCCDLRCA-SJLPKXTDSA-N 2 2 332.488 3.361 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204326 457128459 /nfs/dbraw/zinc/12/84/59/457128459.db2.gz FCWHJRCHBGSVRJ-MKQGEQSTSA-N 2 2 349.563 3.361 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204326 457128462 /nfs/dbraw/zinc/12/84/62/457128462.db2.gz FCWHJRCHBGSVRJ-MKQGEQSTSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204326 457128468 /nfs/dbraw/zinc/12/84/68/457128468.db2.gz FCWHJRCHBGSVRJ-MKQGEQSTSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C ZINC000354204326 457128475 /nfs/dbraw/zinc/12/84/75/457128475.db2.gz FCWHJRCHBGSVRJ-MKQGEQSTSA-N 2 2 349.563 3.361 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224302 457140073 /nfs/dbraw/zinc/14/00/73/457140073.db2.gz NCXHPSIGBOGOLF-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224302 457140082 /nfs/dbraw/zinc/14/00/82/457140082.db2.gz NCXHPSIGBOGOLF-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224302 457140089 /nfs/dbraw/zinc/14/00/89/457140089.db2.gz NCXHPSIGBOGOLF-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224302 457140092 /nfs/dbraw/zinc/14/00/92/457140092.db2.gz NCXHPSIGBOGOLF-JSGCOSHPSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+](CC(=O)N[C@@H](C)C[NH+](C)C(C)C)Cc1ccccc1Cl ZINC000356739144 457143688 /nfs/dbraw/zinc/14/36/88/457143688.db2.gz JFVZPCRNTZLPCH-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP CC[N@@H+](CC(=O)N[C@@H](C)C[NH+](C)C(C)C)Cc1ccccc1Cl ZINC000356739144 457143695 /nfs/dbraw/zinc/14/36/95/457143695.db2.gz JFVZPCRNTZLPCH-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP CC[NH+](CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)Cc1ccccc1Cl ZINC000356739144 457143704 /nfs/dbraw/zinc/14/37/04/457143704.db2.gz JFVZPCRNTZLPCH-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP CC[NH+](CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)Cc1ccccc1Cl ZINC000356739144 457143713 /nfs/dbraw/zinc/14/37/13/457143713.db2.gz JFVZPCRNTZLPCH-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800575 457177717 /nfs/dbraw/zinc/17/77/17/457177717.db2.gz RUCYAJVUVKMCFD-FRQCXROJSA-N 2 2 342.487 3.132 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000346800575 457177722 /nfs/dbraw/zinc/17/77/22/457177722.db2.gz RUCYAJVUVKMCFD-FRQCXROJSA-N 2 2 342.487 3.132 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000360028572 457211824 /nfs/dbraw/zinc/21/18/24/457211824.db2.gz GFIOVTPQUZLVMS-JKSUJKDBSA-N 2 2 343.475 3.496 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c[nH+]1 ZINC000354487969 457254047 /nfs/dbraw/zinc/25/40/47/457254047.db2.gz DSSPWBLGCNBEMZ-IBGZPJMESA-N 2 2 329.488 3.093 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c[nH+]1 ZINC000354487971 457254804 /nfs/dbraw/zinc/25/48/04/457254804.db2.gz DSSPWBLGCNBEMZ-LJQANCHMSA-N 2 2 329.488 3.093 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347159948 457262823 /nfs/dbraw/zinc/26/28/23/457262823.db2.gz GLPDCWIRUHFHQX-CYBMUJFWSA-N 2 2 326.868 3.308 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000347159948 457262829 /nfs/dbraw/zinc/26/28/29/457262829.db2.gz GLPDCWIRUHFHQX-CYBMUJFWSA-N 2 2 326.868 3.308 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347168353 457267550 /nfs/dbraw/zinc/26/75/50/457267550.db2.gz MMBYYCDYDOVTTH-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347168353 457267555 /nfs/dbraw/zinc/26/75/55/457267555.db2.gz MMBYYCDYDOVTTH-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000347197654 457284192 /nfs/dbraw/zinc/28/41/92/457284192.db2.gz HWBLRYVYHAYPEE-UWVGGRQHSA-N 2 2 333.295 3.078 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1Br ZINC000347197654 457284194 /nfs/dbraw/zinc/28/41/94/457284194.db2.gz HWBLRYVYHAYPEE-UWVGGRQHSA-N 2 2 333.295 3.078 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)nnn1-c1ccc(C)cc1 ZINC000360429090 457309497 /nfs/dbraw/zinc/30/94/97/457309497.db2.gz QOXYYIKMSVXMSN-DLBZAZTESA-N 2 2 341.503 3.267 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000363391899 457309936 /nfs/dbraw/zinc/30/99/36/457309936.db2.gz BCVQJNSJZIPQPH-FUHWJXTLSA-N 2 2 330.403 3.039 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000363391899 457309937 /nfs/dbraw/zinc/30/99/37/457309937.db2.gz BCVQJNSJZIPQPH-FUHWJXTLSA-N 2 2 330.403 3.039 20 0 EGADLP C[C@@H](c1c(F)cccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355032251 457337904 /nfs/dbraw/zinc/33/79/04/457337904.db2.gz OZLSDQQBJZDTOC-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1c(F)cccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355032251 457337910 /nfs/dbraw/zinc/33/79/10/457337910.db2.gz OZLSDQQBJZDTOC-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000355363211 457365638 /nfs/dbraw/zinc/36/56/38/457365638.db2.gz KGBWPEKYHJVKDI-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000355363211 457365642 /nfs/dbraw/zinc/36/56/42/457365642.db2.gz KGBWPEKYHJVKDI-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C(C)(C)C[NH+](C)C ZINC000378116329 457378731 /nfs/dbraw/zinc/37/87/31/457378731.db2.gz WEZXICZJNGBQPI-CQSZACIVSA-N 2 2 343.475 3.185 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352489272 457409150 /nfs/dbraw/zinc/40/91/50/457409150.db2.gz ZFEBYCHMWAQJLO-RDJZCZTQSA-N 2 2 343.471 3.156 20 0 EGADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352489272 457409159 /nfs/dbraw/zinc/40/91/59/457409159.db2.gz ZFEBYCHMWAQJLO-RDJZCZTQSA-N 2 2 343.471 3.156 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817165 457413489 /nfs/dbraw/zinc/41/34/89/457413489.db2.gz YNDUQYWQIALTBG-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817165 457413495 /nfs/dbraw/zinc/41/34/95/457413495.db2.gz YNDUQYWQIALTBG-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817165 457413499 /nfs/dbraw/zinc/41/34/99/457413499.db2.gz YNDUQYWQIALTBG-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817165 457413504 /nfs/dbraw/zinc/41/35/04/457413504.db2.gz YNDUQYWQIALTBG-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)cc2)c1C ZINC000360944418 457451726 /nfs/dbraw/zinc/45/17/26/457451726.db2.gz MURQAXKOIGUDBL-QGZVFWFLSA-N 2 2 335.411 3.202 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000360948859 457456501 /nfs/dbraw/zinc/45/65/01/457456501.db2.gz WSICMUKYFYIGIK-KRWDZBQOSA-N 3 2 344.528 3.314 20 0 EGADLP C[NH+](C)Cc1ccnc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425194720 457460609 /nfs/dbraw/zinc/46/06/09/457460609.db2.gz PHODKOSRNUGNND-KRWDZBQOSA-N 2 2 349.438 3.027 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000360967535 457473871 /nfs/dbraw/zinc/47/38/71/457473871.db2.gz AGJOMKNVFJGCGA-HXUWFJFHSA-N 3 2 328.504 3.328 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360967535 457473877 /nfs/dbraw/zinc/47/38/77/457473877.db2.gz AGJOMKNVFJGCGA-HXUWFJFHSA-N 3 2 328.504 3.328 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134595 457477645 /nfs/dbraw/zinc/47/76/45/457477645.db2.gz YOIPPJRUQRQTQM-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134595 457477652 /nfs/dbraw/zinc/47/76/52/457477652.db2.gz YOIPPJRUQRQTQM-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134595 457477659 /nfs/dbraw/zinc/47/76/59/457477659.db2.gz YOIPPJRUQRQTQM-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134595 457477666 /nfs/dbraw/zinc/47/76/66/457477666.db2.gz YOIPPJRUQRQTQM-CJNGLKHVSA-N 2 2 328.378 3.327 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356170787 457503204 /nfs/dbraw/zinc/50/32/04/457503204.db2.gz SEVKBRFBLFHQFF-UHFFFAOYSA-N 2 2 342.487 3.125 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000399197072 457506574 /nfs/dbraw/zinc/50/65/74/457506574.db2.gz JPUOLLBTYSVABU-ZBFHGGJFSA-N 2 2 331.485 3.294 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)sn1 ZINC000399197072 457506580 /nfs/dbraw/zinc/50/65/80/457506580.db2.gz JPUOLLBTYSVABU-ZBFHGGJFSA-N 2 2 331.485 3.294 20 0 EGADLP C[C@@H]1C[C@@H](CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210322 457527064 /nfs/dbraw/zinc/52/70/64/457527064.db2.gz ZGQSIPDOITWVFZ-SQNIBIBYSA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H]1C[C@@H](CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210322 457527071 /nfs/dbraw/zinc/52/70/71/457527071.db2.gz ZGQSIPDOITWVFZ-SQNIBIBYSA-N 2 2 349.563 3.124 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000342789804 457530780 /nfs/dbraw/zinc/53/07/80/457530780.db2.gz YCXUMGHGHZRVDD-UXHICEINSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000342789804 457530785 /nfs/dbraw/zinc/53/07/85/457530785.db2.gz YCXUMGHGHZRVDD-UXHICEINSA-N 2 2 338.499 3.215 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2sccc2Br)s1 ZINC000352697540 457539402 /nfs/dbraw/zinc/53/94/02/457539402.db2.gz DXWRFHCNBABTGE-UHFFFAOYSA-N 2 2 346.319 3.319 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)s1 ZINC000352754423 457583322 /nfs/dbraw/zinc/58/33/22/457583322.db2.gz HVXPJEUHIRKHES-UHFFFAOYSA-N 2 2 349.475 3.139 20 0 EGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000370277350 457607670 /nfs/dbraw/zinc/60/76/70/457607670.db2.gz UOTATZNXCGFMQY-LJQANCHMSA-N 2 2 342.462 3.191 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc2c(c1)CCO2 ZINC000370669619 457696393 /nfs/dbraw/zinc/69/63/93/457696393.db2.gz OCHHSDWYDLUQIZ-SFHVURJKSA-N 2 2 334.423 3.443 20 0 EGADLP Cn1cc([C@@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000357856703 457713427 /nfs/dbraw/zinc/71/34/27/457713427.db2.gz UHNPKOVDLIPLQA-IBGZPJMESA-N 2 2 344.478 3.360 20 0 EGADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912513 457732422 /nfs/dbraw/zinc/73/24/22/457732422.db2.gz XSZACTNBURYAHA-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912513 457732425 /nfs/dbraw/zinc/73/24/25/457732425.db2.gz XSZACTNBURYAHA-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912513 457732428 /nfs/dbraw/zinc/73/24/28/457732428.db2.gz XSZACTNBURYAHA-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000357912513 457732430 /nfs/dbraw/zinc/73/24/30/457732430.db2.gz XSZACTNBURYAHA-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000358002578 457736767 /nfs/dbraw/zinc/73/67/67/457736767.db2.gz GWFOTAQCPJSUOM-OXQOHEQNSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000358002578 457736769 /nfs/dbraw/zinc/73/67/69/457736769.db2.gz GWFOTAQCPJSUOM-OXQOHEQNSA-N 2 2 326.488 3.154 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)nnn1-c1ccccc1 ZINC000358020100 457742321 /nfs/dbraw/zinc/74/23/21/457742321.db2.gz LNUFJMCJICHNQH-INIZCTEOSA-N 2 2 341.503 3.347 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)nnn1-c1ccccc1 ZINC000358027052 457743912 /nfs/dbraw/zinc/74/39/12/457743912.db2.gz VDXMZOKBOCDUQW-HNNXBMFYSA-N 2 2 341.503 3.489 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040068 457748234 /nfs/dbraw/zinc/74/82/34/457748234.db2.gz BMOCOPPOZFWCCI-JTSKRJEESA-N 2 2 335.495 3.297 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040068 457748240 /nfs/dbraw/zinc/74/82/40/457748240.db2.gz BMOCOPPOZFWCCI-JTSKRJEESA-N 2 2 335.495 3.297 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C2 ZINC000426032084 457762433 /nfs/dbraw/zinc/76/24/33/457762433.db2.gz WHOGUNDCOFKMMN-KRWDZBQOSA-N 2 2 346.515 3.032 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358077840 457770620 /nfs/dbraw/zinc/77/06/20/457770620.db2.gz BFQMXELTWPYWKJ-LVCYWYKZSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358077840 457770624 /nfs/dbraw/zinc/77/06/24/457770624.db2.gz BFQMXELTWPYWKJ-LVCYWYKZSA-N 3 2 340.515 3.328 20 0 EGADLP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000433181559 457771066 /nfs/dbraw/zinc/77/10/66/457771066.db2.gz YMXJNFJRQGOTPX-INIZCTEOSA-N 2 2 326.444 3.056 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358081846 457773641 /nfs/dbraw/zinc/77/36/41/457773641.db2.gz IYMWBXJMYAMSQG-LZLYRXPVSA-N 2 2 332.488 3.217 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358081846 457773648 /nfs/dbraw/zinc/77/36/48/457773648.db2.gz IYMWBXJMYAMSQG-LZLYRXPVSA-N 2 2 332.488 3.217 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000371130646 457801278 /nfs/dbraw/zinc/80/12/78/457801278.db2.gz ULBFZVREJFROIF-XUVXKRRUSA-N 2 2 344.474 3.337 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)[C@@H](C)C1 ZINC000426296948 457802879 /nfs/dbraw/zinc/80/28/79/457802879.db2.gz VNRNNKMTBMXATI-BBRMVZONSA-N 2 2 337.305 3.454 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)[C@@H](C)C1 ZINC000426296948 457802883 /nfs/dbraw/zinc/80/28/83/457802883.db2.gz VNRNNKMTBMXATI-BBRMVZONSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000358151809 457817075 /nfs/dbraw/zinc/81/70/75/457817075.db2.gz GRPJSFJYSMJYEQ-KGLIPLIRSA-N 2 2 330.394 3.467 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361693495 457826398 /nfs/dbraw/zinc/82/63/98/457826398.db2.gz SXEZISNZVQBYCC-SFHVURJKSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361693495 457826405 /nfs/dbraw/zinc/82/64/05/457826405.db2.gz SXEZISNZVQBYCC-SFHVURJKSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000361693495 457826413 /nfs/dbraw/zinc/82/64/13/457826413.db2.gz SXEZISNZVQBYCC-SFHVURJKSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000361693495 457826420 /nfs/dbraw/zinc/82/64/20/457826420.db2.gz SXEZISNZVQBYCC-SFHVURJKSA-N 2 2 335.923 3.332 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(OC)ccc3Cl)CC2)c1 ZINC000361831371 457891662 /nfs/dbraw/zinc/89/16/62/457891662.db2.gz VXQLTKFPCZNDCO-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC000411556137 457919190 /nfs/dbraw/zinc/91/91/90/457919190.db2.gz XLLSOLPWUUTCKB-UONOGXRCSA-N 2 2 348.516 3.387 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358315299 457928717 /nfs/dbraw/zinc/92/87/17/457928717.db2.gz HATOSNUFFOTZIC-AEFFLSMTSA-N 2 2 341.455 3.251 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCCC(C)C ZINC000427113782 457945264 /nfs/dbraw/zinc/94/52/64/457945264.db2.gz LJAVOLTUAGSZRJ-MSOLQXFVSA-N 2 2 332.488 3.304 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OCCC(C)C ZINC000427113782 457945269 /nfs/dbraw/zinc/94/52/69/457945269.db2.gz LJAVOLTUAGSZRJ-MSOLQXFVSA-N 2 2 332.488 3.304 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732952 457966259 /nfs/dbraw/zinc/96/62/59/457966259.db2.gz PNWJUGRTAYQRHH-SQNIBIBYSA-N 2 2 341.430 3.296 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000411732952 457966269 /nfs/dbraw/zinc/96/62/69/457966269.db2.gz PNWJUGRTAYQRHH-SQNIBIBYSA-N 2 2 341.430 3.296 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](C(C)C)C3)c2cc1C ZINC000444771595 457970374 /nfs/dbraw/zinc/97/03/74/457970374.db2.gz JSDBUXKUAFLWEU-MSOLQXFVSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](C(C)C)C3)c2cc1C ZINC000444771595 457970383 /nfs/dbraw/zinc/97/03/83/457970383.db2.gz JSDBUXKUAFLWEU-MSOLQXFVSA-N 2 2 329.488 3.382 20 0 EGADLP CCc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000375656159 458007792 /nfs/dbraw/zinc/00/77/92/458007792.db2.gz GGINVRPMXDNLIK-LJQANCHMSA-N 2 2 336.439 3.470 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411925215 458012109 /nfs/dbraw/zinc/01/21/09/458012109.db2.gz NBUVUMFHMKBFRX-LEWJYISDSA-N 2 2 333.435 3.489 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411925215 458012114 /nfs/dbraw/zinc/01/21/14/458012114.db2.gz NBUVUMFHMKBFRX-LEWJYISDSA-N 2 2 333.435 3.489 20 0 EGADLP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000362087654 458029733 /nfs/dbraw/zinc/02/97/33/458029733.db2.gz RQGRQQYITROVHM-SFHVURJKSA-N 2 2 338.455 3.425 20 0 EGADLP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000362087654 458029738 /nfs/dbraw/zinc/02/97/38/458029738.db2.gz RQGRQQYITROVHM-SFHVURJKSA-N 2 2 338.455 3.425 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374678 458124893 /nfs/dbraw/zinc/12/48/93/458124893.db2.gz JQOLRLBBWCIOHB-AAEUAGOBSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000435374678 458124902 /nfs/dbraw/zinc/12/49/02/458124902.db2.gz JQOLRLBBWCIOHB-AAEUAGOBSA-N 2 2 349.276 3.008 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435381668 458129777 /nfs/dbraw/zinc/12/97/77/458129777.db2.gz VGZSYFALBLYIPH-BMGDILEWSA-N 2 2 343.496 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435381668 458129782 /nfs/dbraw/zinc/12/97/82/458129782.db2.gz VGZSYFALBLYIPH-BMGDILEWSA-N 2 2 343.496 3.200 20 0 EGADLP CCc1ncc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435421693 458140263 /nfs/dbraw/zinc/14/02/63/458140263.db2.gz KJQIRBIIWWEFKR-CQSZACIVSA-N 2 2 348.541 3.306 20 0 EGADLP CCc1ncc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435421693 458140269 /nfs/dbraw/zinc/14/02/69/458140269.db2.gz KJQIRBIIWWEFKR-CQSZACIVSA-N 2 2 348.541 3.306 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435617066 458175168 /nfs/dbraw/zinc/17/51/68/458175168.db2.gz OJSUXDBVVDOHON-SFHVURJKSA-N 2 2 337.467 3.366 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435617066 458175172 /nfs/dbraw/zinc/17/51/72/458175172.db2.gz OJSUXDBVVDOHON-SFHVURJKSA-N 2 2 337.467 3.366 20 0 EGADLP CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435630995 458178646 /nfs/dbraw/zinc/17/86/46/458178646.db2.gz ZGANAZPSUDJAOE-MRXNPFEDSA-N 2 2 329.444 3.314 20 0 EGADLP CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435630995 458178653 /nfs/dbraw/zinc/17/86/53/458178653.db2.gz ZGANAZPSUDJAOE-MRXNPFEDSA-N 2 2 329.444 3.314 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065979 458181122 /nfs/dbraw/zinc/18/11/22/458181122.db2.gz UVPXFTXQPBQDPU-JGGQBBKZSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065979 458181126 /nfs/dbraw/zinc/18/11/26/458181126.db2.gz UVPXFTXQPBQDPU-JGGQBBKZSA-N 2 2 344.377 3.099 20 0 EGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000446752609 458223969 /nfs/dbraw/zinc/22/39/69/458223969.db2.gz HZXHEWQJJLUGKJ-ZVDOUQERSA-N 2 2 348.531 3.317 20 0 EGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000446752609 458223976 /nfs/dbraw/zinc/22/39/76/458223976.db2.gz HZXHEWQJJLUGKJ-ZVDOUQERSA-N 2 2 348.531 3.317 20 0 EGADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831242 458232365 /nfs/dbraw/zinc/23/23/65/458232365.db2.gz BZQCEOYUPHQTBN-PMACEKPBSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831242 458232375 /nfs/dbraw/zinc/23/23/75/458232375.db2.gz BZQCEOYUPHQTBN-PMACEKPBSA-N 2 2 343.515 3.156 20 0 EGADLP CSCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000358830036 458244038 /nfs/dbraw/zinc/24/40/38/458244038.db2.gz QNXSMOJCRNDRGX-MRXNPFEDSA-N 2 2 342.936 3.008 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000459045212 458252467 /nfs/dbraw/zinc/25/24/67/458252467.db2.gz ATNRIKPXWBTLRC-NVXWUHKLSA-N 2 2 347.507 3.042 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000459045212 458252469 /nfs/dbraw/zinc/25/24/69/458252469.db2.gz ATNRIKPXWBTLRC-NVXWUHKLSA-N 2 2 347.507 3.042 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000447098483 458265716 /nfs/dbraw/zinc/26/57/16/458265716.db2.gz HRHCZJZQHJRNAL-UHFFFAOYSA-N 2 2 326.425 3.248 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330235 458278523 /nfs/dbraw/zinc/27/85/23/458278523.db2.gz FQPRYQYWXLEOEO-TZIWHRDSSA-N 2 2 329.532 3.070 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330235 458278527 /nfs/dbraw/zinc/27/85/27/458278527.db2.gz FQPRYQYWXLEOEO-TZIWHRDSSA-N 2 2 329.532 3.070 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000436278388 458280804 /nfs/dbraw/zinc/28/08/04/458280804.db2.gz DUCDUIOAIONJCM-LJQANCHMSA-N 2 2 325.456 3.325 20 0 EGADLP Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000447296894 458280951 /nfs/dbraw/zinc/28/09/51/458280951.db2.gz SHWLCLPCEKINDP-INIZCTEOSA-N 2 2 349.438 3.255 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000436279508 458281601 /nfs/dbraw/zinc/28/16/01/458281601.db2.gz JFKKTXGJZDMUHC-VURPSTOHSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469521 458309568 /nfs/dbraw/zinc/30/95/68/458309568.db2.gz RZGRJFQIAUEARU-XLIONFOSSA-N 3 2 327.516 3.286 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469521 458309572 /nfs/dbraw/zinc/30/95/72/458309572.db2.gz RZGRJFQIAUEARU-XLIONFOSSA-N 3 2 327.516 3.286 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1OC ZINC000414899191 458326039 /nfs/dbraw/zinc/32/60/39/458326039.db2.gz UIXBFCHEKQGUSC-QZTJIDSGSA-N 2 2 344.430 3.078 20 0 EGADLP C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC000429403894 458328985 /nfs/dbraw/zinc/32/89/85/458328985.db2.gz GCXYDTWVWYWFJH-SFHVURJKSA-N 2 2 338.499 3.238 20 0 EGADLP C[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000429403894 458328989 /nfs/dbraw/zinc/32/89/89/458328989.db2.gz GCXYDTWVWYWFJH-SFHVURJKSA-N 2 2 338.499 3.238 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000459358669 458342781 /nfs/dbraw/zinc/34/27/81/458342781.db2.gz NBCOYFPTFPIHEZ-MORSLUCNSA-N 2 2 340.870 3.471 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000459358669 458342783 /nfs/dbraw/zinc/34/27/83/458342783.db2.gz NBCOYFPTFPIHEZ-MORSLUCNSA-N 2 2 340.870 3.471 20 0 EGADLP CS[C@@H]1CCCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681576 458356950 /nfs/dbraw/zinc/35/69/50/458356950.db2.gz CQVQEABFDFMWKJ-WOJBJXKFSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@@H]1CCCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429681576 458356955 /nfs/dbraw/zinc/35/69/55/458356955.db2.gz CQVQEABFDFMWKJ-WOJBJXKFSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@@H]1CCCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681576 458356962 /nfs/dbraw/zinc/35/69/62/458356962.db2.gz CQVQEABFDFMWKJ-WOJBJXKFSA-N 2 2 348.556 3.495 20 0 EGADLP CS[C@@H]1CCCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429681576 458356964 /nfs/dbraw/zinc/35/69/64/458356964.db2.gz CQVQEABFDFMWKJ-WOJBJXKFSA-N 2 2 348.556 3.495 20 0 EGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000459427423 458367341 /nfs/dbraw/zinc/36/73/41/458367341.db2.gz FPRBIRWPQNNOCC-OAQYLSRUSA-N 2 2 342.483 3.073 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000376728465 458377156 /nfs/dbraw/zinc/37/71/56/458377156.db2.gz KMYQLPCNZMHMKB-UHFFFAOYSA-N 2 2 333.476 3.210 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376766727 458386156 /nfs/dbraw/zinc/38/61/56/458386156.db2.gz FWVAOZCJHMMLMM-UHFFFAOYSA-N 2 2 338.224 3.411 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459479320 458386695 /nfs/dbraw/zinc/38/66/95/458386695.db2.gz LSCMTTSIDDDFOD-INIZCTEOSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459479320 458386697 /nfs/dbraw/zinc/38/66/97/458386697.db2.gz LSCMTTSIDDDFOD-INIZCTEOSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459479320 458386699 /nfs/dbraw/zinc/38/66/99/458386699.db2.gz LSCMTTSIDDDFOD-INIZCTEOSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459479320 458386701 /nfs/dbraw/zinc/38/67/01/458386701.db2.gz LSCMTTSIDDDFOD-INIZCTEOSA-N 2 2 329.835 3.329 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)CCC[NH2+]1 ZINC000423430684 458431568 /nfs/dbraw/zinc/43/15/68/458431568.db2.gz PXLHXVQHZBZCGZ-AZUAARDMSA-N 2 2 332.488 3.382 20 0 EGADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491644 458442671 /nfs/dbraw/zinc/44/26/71/458442671.db2.gz KDYYOSZNYKLVMF-RISCZKNCSA-N 2 2 345.270 3.175 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)nnn1-c1cccc(Cl)c1 ZINC000423533960 458453557 /nfs/dbraw/zinc/45/35/57/458453557.db2.gz UWRCIBUBPTYPFF-SJKOYZFVSA-N 2 2 347.894 3.397 20 0 EGADLP CC1CCC(N(C(=O)C[NH+]2CCC([NH2+]CC3CC3)CC2)C2CC2)CC1 ZINC000430543718 458458615 /nfs/dbraw/zinc/45/86/15/458458615.db2.gz FEPZICXJNIDMGG-UHFFFAOYSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430547704 458459796 /nfs/dbraw/zinc/45/97/96/458459796.db2.gz AFAXKMDZQKYJMU-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000430553966 458461147 /nfs/dbraw/zinc/46/11/47/458461147.db2.gz FNRDOGYHMHQHRS-GOSISDBHSA-N 2 2 333.520 3.119 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000430553966 458461151 /nfs/dbraw/zinc/46/11/51/458461151.db2.gz FNRDOGYHMHQHRS-GOSISDBHSA-N 2 2 333.520 3.119 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604104 458470510 /nfs/dbraw/zinc/47/05/10/458470510.db2.gz LYNDVXFZWDXMQS-NWDGAFQWSA-N 2 2 344.286 3.252 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604104 458470514 /nfs/dbraw/zinc/47/05/14/458470514.db2.gz LYNDVXFZWDXMQS-NWDGAFQWSA-N 2 2 344.286 3.252 20 0 EGADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430606761 458470679 /nfs/dbraw/zinc/47/06/79/458470679.db2.gz ARQRLSBIBCAKLY-INIZCTEOSA-N 2 2 339.439 3.101 20 0 EGADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430606761 458470682 /nfs/dbraw/zinc/47/06/82/458470682.db2.gz ARQRLSBIBCAKLY-INIZCTEOSA-N 2 2 339.439 3.101 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616808 458471709 /nfs/dbraw/zinc/47/17/09/458471709.db2.gz HZIRCWHZFIVESH-APWZRJJASA-N 2 2 329.488 3.014 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616808 458471712 /nfs/dbraw/zinc/47/17/12/458471712.db2.gz HZIRCWHZFIVESH-APWZRJJASA-N 2 2 329.488 3.014 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000430626701 458472812 /nfs/dbraw/zinc/47/28/12/458472812.db2.gz MEXNGHVICUHZHQ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000430626701 458472817 /nfs/dbraw/zinc/47/28/17/458472817.db2.gz MEXNGHVICUHZHQ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000459768947 458473367 /nfs/dbraw/zinc/47/33/67/458473367.db2.gz LTXFFWKOKOGOPX-HNNXBMFYSA-N 2 2 329.444 3.282 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000459768947 458473374 /nfs/dbraw/zinc/47/33/74/458473374.db2.gz LTXFFWKOKOGOPX-HNNXBMFYSA-N 2 2 329.444 3.282 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919544 458505518 /nfs/dbraw/zinc/50/55/18/458505518.db2.gz LNNVZMINYCWNFI-APWZRJJASA-N 2 2 348.450 3.367 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919544 458505521 /nfs/dbraw/zinc/50/55/21/458505521.db2.gz LNNVZMINYCWNFI-APWZRJJASA-N 2 2 348.450 3.367 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430946813 458508736 /nfs/dbraw/zinc/50/87/36/458508736.db2.gz YBZQFUBBOONYRQ-KXBFYZLASA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430946813 458508741 /nfs/dbraw/zinc/50/87/41/458508741.db2.gz YBZQFUBBOONYRQ-KXBFYZLASA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965917 458510878 /nfs/dbraw/zinc/51/08/78/458510878.db2.gz LWYDSFUICMXFAM-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965917 458510885 /nfs/dbraw/zinc/51/08/85/458510885.db2.gz LWYDSFUICMXFAM-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1ccc(CCC[NH2+]CCCNC(=O)/C=C\c2ccccc2)c[nH+]1 ZINC000493625389 458516819 /nfs/dbraw/zinc/51/68/19/458516819.db2.gz OHHCYUIKIJGCET-SEYXRHQNSA-N 2 2 337.467 3.132 20 0 EGADLP CC[NH+](CC)C[C@@H](C)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453113608 458519135 /nfs/dbraw/zinc/51/91/35/458519135.db2.gz UOHYOQIXQFOFRH-RHSMWYFYSA-N 2 2 334.895 3.483 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000373551266 458529974 /nfs/dbraw/zinc/52/99/74/458529974.db2.gz JTCCAHYQBBKPKZ-KXBFYZLASA-N 2 2 339.487 3.008 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431144353 458535023 /nfs/dbraw/zinc/53/50/23/458535023.db2.gz RWVUPKPGPZUZPC-MAUKXSAKSA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431144353 458535025 /nfs/dbraw/zinc/53/50/25/458535025.db2.gz RWVUPKPGPZUZPC-MAUKXSAKSA-N 2 2 339.439 3.124 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1)CCC2 ZINC000377830196 458545255 /nfs/dbraw/zinc/54/52/55/458545255.db2.gz BPOOSJABPFVVEI-AWEZNQCLSA-N 2 2 325.416 3.150 20 0 EGADLP C[C@@H]1C[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C[NH3+] ZINC000424054485 458547059 /nfs/dbraw/zinc/54/70/59/458547059.db2.gz ARQSXRGNHGBVGH-VYDXJSESSA-N 2 2 339.439 3.319 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000431350099 458560659 /nfs/dbraw/zinc/56/06/59/458560659.db2.gz NMRDWRVOLWPYJD-APWZRJJASA-N 2 2 332.488 3.070 20 0 EGADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000424181897 458579116 /nfs/dbraw/zinc/57/91/16/458579116.db2.gz YMROJEJUUBBCHG-QGZVFWFLSA-N 2 2 346.421 3.130 20 0 EGADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000424181897 458579122 /nfs/dbraw/zinc/57/91/22/458579122.db2.gz YMROJEJUUBBCHG-QGZVFWFLSA-N 2 2 346.421 3.130 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867607 458598865 /nfs/dbraw/zinc/59/88/65/458598865.db2.gz UHLSVQDMBQKDHB-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867607 458598869 /nfs/dbraw/zinc/59/88/69/458598869.db2.gz UHLSVQDMBQKDHB-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000424271148 458599251 /nfs/dbraw/zinc/59/92/51/458599251.db2.gz ORIPFRMLCZLNKJ-RRWXTXHCSA-N 2 2 344.499 3.001 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)C1 ZINC000424271148 458599256 /nfs/dbraw/zinc/59/92/56/458599256.db2.gz ORIPFRMLCZLNKJ-RRWXTXHCSA-N 2 2 344.499 3.001 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)cc1Cl ZINC000424334275 458619700 /nfs/dbraw/zinc/61/97/00/458619700.db2.gz NRYIWNAODRCAPL-GAJTVXKRSA-N 2 2 330.259 3.180 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000470961753 458670745 /nfs/dbraw/zinc/67/07/45/458670745.db2.gz YMWADTZEIIXHBM-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000470961753 458670752 /nfs/dbraw/zinc/67/07/52/458670752.db2.gz YMWADTZEIIXHBM-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000470961753 458670759 /nfs/dbraw/zinc/67/07/59/458670759.db2.gz YMWADTZEIIXHBM-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000470961753 458670766 /nfs/dbraw/zinc/67/07/66/458670766.db2.gz YMWADTZEIIXHBM-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495018938 458783363 /nfs/dbraw/zinc/78/33/63/458783363.db2.gz QQUWANJPTQKGJS-HOCLYGCPSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495018938 458783373 /nfs/dbraw/zinc/78/33/73/458783373.db2.gz QQUWANJPTQKGJS-HOCLYGCPSA-N 2 2 326.444 3.179 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504697 458799870 /nfs/dbraw/zinc/79/98/70/458799870.db2.gz QYRZCJLFQTUWLZ-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504697 458799874 /nfs/dbraw/zinc/79/98/74/458799874.db2.gz QYRZCJLFQTUWLZ-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000472504697 458799876 /nfs/dbraw/zinc/79/98/76/458799876.db2.gz QYRZCJLFQTUWLZ-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000472504697 458799879 /nfs/dbraw/zinc/79/98/79/458799879.db2.gz QYRZCJLFQTUWLZ-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP CC(C)[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273469 458873775 /nfs/dbraw/zinc/87/37/75/458873775.db2.gz LTIXAJVDXZVARZ-TZIWHRDSSA-N 2 2 330.516 3.470 20 0 EGADLP CC(C)[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000474273469 458873782 /nfs/dbraw/zinc/87/37/82/458873782.db2.gz LTIXAJVDXZVARZ-TZIWHRDSSA-N 2 2 330.516 3.470 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194685 458898519 /nfs/dbraw/zinc/89/85/19/458898519.db2.gz GIPVRFGEQVFIKF-YLJYHZDGSA-N 2 2 349.478 3.176 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441349757 458925007 /nfs/dbraw/zinc/92/50/07/458925007.db2.gz TWPMIAZVMFZFEJ-HKUYNNGSSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441349757 458925013 /nfs/dbraw/zinc/92/50/13/458925013.db2.gz TWPMIAZVMFZFEJ-HKUYNNGSSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441349757 458925017 /nfs/dbraw/zinc/92/50/17/458925017.db2.gz TWPMIAZVMFZFEJ-HKUYNNGSSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441349757 458925021 /nfs/dbraw/zinc/92/50/21/458925021.db2.gz TWPMIAZVMFZFEJ-HKUYNNGSSA-N 2 2 343.515 3.161 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466889964 458929677 /nfs/dbraw/zinc/92/96/77/458929677.db2.gz FSPNGRGBJQGUJR-QIJUGHKUSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000466889964 458929680 /nfs/dbraw/zinc/92/96/80/458929680.db2.gz FSPNGRGBJQGUJR-QIJUGHKUSA-N 2 2 338.495 3.009 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000475514746 458949389 /nfs/dbraw/zinc/94/93/89/458949389.db2.gz SOZXRJJLPWCWIH-KRWDZBQOSA-N 2 2 329.488 3.379 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000475514746 458949392 /nfs/dbraw/zinc/94/93/92/458949392.db2.gz SOZXRJJLPWCWIH-KRWDZBQOSA-N 2 2 329.488 3.379 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Br)cn1 ZINC000556605756 458978078 /nfs/dbraw/zinc/97/80/78/458978078.db2.gz HCVIQXMADNURAL-NSHDSACASA-N 2 2 335.249 3.228 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000531932364 459002549 /nfs/dbraw/zinc/00/25/49/459002549.db2.gz UMHXBJUITXKGHQ-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cn1cccn1 ZINC000566830477 459006617 /nfs/dbraw/zinc/00/66/17/459006617.db2.gz OZLNYVBSIWZCCK-INIZCTEOSA-N 2 2 346.906 3.427 20 0 EGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984729 459012898 /nfs/dbraw/zinc/01/28/98/459012898.db2.gz URHZPJSLNPPLGD-STQMWFEESA-N 2 2 343.284 3.451 20 0 EGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984729 459012901 /nfs/dbraw/zinc/01/29/01/459012901.db2.gz URHZPJSLNPPLGD-STQMWFEESA-N 2 2 343.284 3.451 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408170 459029223 /nfs/dbraw/zinc/02/92/23/459029223.db2.gz KAYJFHDHCXVBLM-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408170 459029225 /nfs/dbraw/zinc/02/92/25/459029225.db2.gz KAYJFHDHCXVBLM-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408170 459029229 /nfs/dbraw/zinc/02/92/29/459029229.db2.gz KAYJFHDHCXVBLM-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000577408170 459029233 /nfs/dbraw/zinc/02/92/33/459029233.db2.gz KAYJFHDHCXVBLM-KRWDZBQOSA-N 2 2 326.431 3.022 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442782520 459035840 /nfs/dbraw/zinc/03/58/40/459035840.db2.gz OGVASDGZTXQPSB-BZPMIXESSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442782520 459035844 /nfs/dbraw/zinc/03/58/44/459035844.db2.gz OGVASDGZTXQPSB-BZPMIXESSA-N 2 2 334.851 3.044 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154860 459038551 /nfs/dbraw/zinc/03/85/51/459038551.db2.gz KPWSHVJBLUBPSM-HKUYNNGSSA-N 2 2 337.552 3.268 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154860 459038559 /nfs/dbraw/zinc/03/85/59/459038559.db2.gz KPWSHVJBLUBPSM-HKUYNNGSSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154860 459038561 /nfs/dbraw/zinc/03/85/61/459038561.db2.gz KPWSHVJBLUBPSM-HKUYNNGSSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154860 459038564 /nfs/dbraw/zinc/03/85/64/459038564.db2.gz KPWSHVJBLUBPSM-HKUYNNGSSA-N 2 2 337.552 3.268 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059406 459041711 /nfs/dbraw/zinc/04/17/11/459041711.db2.gz XOGYMAVMDQEJSW-LRDDRELGSA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059406 459041713 /nfs/dbraw/zinc/04/17/13/459041713.db2.gz XOGYMAVMDQEJSW-LRDDRELGSA-N 2 2 331.287 3.347 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000496110839 459070243 /nfs/dbraw/zinc/07/02/43/459070243.db2.gz UNPYOYCKHVQUPN-OAHLLOKOSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000532467004 459092695 /nfs/dbraw/zinc/09/26/95/459092695.db2.gz OIOHIYAQPXPRIJ-IUODEOHRSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000532467004 459092702 /nfs/dbraw/zinc/09/27/02/459092702.db2.gz OIOHIYAQPXPRIJ-IUODEOHRSA-N 2 2 343.393 3.106 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000594737675 459145864 /nfs/dbraw/zinc/14/58/64/459145864.db2.gz BTEVFIMCDLPVLB-HNNXBMFYSA-N 2 2 335.517 3.200 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000594737675 459145871 /nfs/dbraw/zinc/14/58/71/459145871.db2.gz BTEVFIMCDLPVLB-HNNXBMFYSA-N 2 2 335.517 3.200 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000594741048 459148916 /nfs/dbraw/zinc/14/89/16/459148916.db2.gz YTXUHXFXUZAGFS-CQSZACIVSA-N 2 2 341.858 3.270 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000594741048 459148921 /nfs/dbraw/zinc/14/89/21/459148921.db2.gz YTXUHXFXUZAGFS-CQSZACIVSA-N 2 2 341.858 3.270 20 0 EGADLP c1ccc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000532969915 459167590 /nfs/dbraw/zinc/16/75/90/459167590.db2.gz MDZBWXXYBYKRIE-GOSISDBHSA-N 2 2 336.483 3.451 20 0 EGADLP c1ccc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000532969915 459167598 /nfs/dbraw/zinc/16/75/98/459167598.db2.gz MDZBWXXYBYKRIE-GOSISDBHSA-N 2 2 336.483 3.451 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)n1C ZINC000594944634 459187784 /nfs/dbraw/zinc/18/77/84/459187784.db2.gz AKTCCFAJCZAOIZ-FQEVSTJZSA-N 2 2 343.471 3.118 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000567990663 459204515 /nfs/dbraw/zinc/20/45/15/459204515.db2.gz UYBMBJSYXMHWBR-HZPDHXFCSA-N 2 2 343.496 3.250 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000567990663 459204521 /nfs/dbraw/zinc/20/45/21/459204521.db2.gz UYBMBJSYXMHWBR-HZPDHXFCSA-N 2 2 343.496 3.250 20 0 EGADLP C/C(=C\c1ccccc1)CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000533452747 459237200 /nfs/dbraw/zinc/23/72/00/459237200.db2.gz KUEVTRXNRZPVEM-NXNYUAIASA-N 2 2 336.483 3.159 20 0 EGADLP CC(C)n1ncc2cc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)cnc21 ZINC000582053886 459298482 /nfs/dbraw/zinc/29/84/82/459298482.db2.gz SGZIBISMBYSKKD-UHFFFAOYSA-N 2 2 347.426 3.264 20 0 EGADLP Cc1cc(C)c(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(C)[nH+]1 ZINC000568587781 459312136 /nfs/dbraw/zinc/31/21/36/459312136.db2.gz JEOCFZLQARVOTP-UHFFFAOYSA-N 2 2 339.443 3.324 20 0 EGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534324098 459314094 /nfs/dbraw/zinc/31/40/94/459314094.db2.gz KVFOMFISRGYELG-UHFFFAOYSA-N 2 2 340.471 3.236 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659331 459324154 /nfs/dbraw/zinc/32/41/54/459324154.db2.gz MOHFQFFVKRJBOP-ZTFGCOKTSA-N 2 2 349.494 3.231 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659331 459324160 /nfs/dbraw/zinc/32/41/60/459324160.db2.gz MOHFQFFVKRJBOP-ZTFGCOKTSA-N 2 2 349.494 3.231 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)c[nH+]c1N1CCCC[C@H]1C ZINC000568728290 459335119 /nfs/dbraw/zinc/33/51/19/459335119.db2.gz MNKIYLFMFBRJFD-HZPDHXFCSA-N 2 2 345.491 3.032 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000568756714 459338880 /nfs/dbraw/zinc/33/88/80/459338880.db2.gz OQEHHLAYCBQWNK-UHFFFAOYSA-N 2 2 328.431 3.453 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)Cc2ccccc2C1 ZINC000534798197 459352745 /nfs/dbraw/zinc/35/27/45/459352745.db2.gz HCHHGVAMNVZZBM-AQNXPRMDSA-N 2 2 340.511 3.023 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000560596091 459377643 /nfs/dbraw/zinc/37/76/43/459377643.db2.gz RQKYNNZGVBYWED-FQEVSTJZSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000560596091 459377647 /nfs/dbraw/zinc/37/76/47/459377647.db2.gz RQKYNNZGVBYWED-FQEVSTJZSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000560596091 459377649 /nfs/dbraw/zinc/37/76/49/459377649.db2.gz RQKYNNZGVBYWED-FQEVSTJZSA-N 2 2 325.456 3.161 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000560596091 459377653 /nfs/dbraw/zinc/37/76/53/459377653.db2.gz RQKYNNZGVBYWED-FQEVSTJZSA-N 2 2 325.456 3.161 20 0 EGADLP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)CC2 ZINC000569131265 459403029 /nfs/dbraw/zinc/40/30/29/459403029.db2.gz XHQGNEKIAOAXAF-CYBMUJFWSA-N 2 2 346.862 3.108 20 0 EGADLP Clc1ccccc1CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000560978681 459409168 /nfs/dbraw/zinc/40/91/68/459409168.db2.gz MFQJQBVBHILHOG-KRWDZBQOSA-N 2 2 336.907 3.317 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)CCC2 ZINC000525169354 459423978 /nfs/dbraw/zinc/42/39/78/459423978.db2.gz BZEFOQZYQXZIKE-SFHVURJKSA-N 2 2 333.439 3.316 20 0 EGADLP Cc1nc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090882 459426259 /nfs/dbraw/zinc/42/62/59/459426259.db2.gz WCNWXVGNXIAOMX-ZBFHGGJFSA-N 2 2 328.504 3.151 20 0 EGADLP Cc1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090882 459426265 /nfs/dbraw/zinc/42/62/65/459426265.db2.gz WCNWXVGNXIAOMX-ZBFHGGJFSA-N 2 2 328.504 3.151 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485189052 459443752 /nfs/dbraw/zinc/44/37/52/459443752.db2.gz PVZKNEQBHAPSLP-WMZOPIPTSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485189052 459443758 /nfs/dbraw/zinc/44/37/58/459443758.db2.gz PVZKNEQBHAPSLP-WMZOPIPTSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000583117652 459484619 /nfs/dbraw/zinc/48/46/19/459484619.db2.gz GWGMBBDAFZRAEV-OXJNMPFZSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@H+]1Cc1ccccc1 ZINC000583117652 459484623 /nfs/dbraw/zinc/48/46/23/459484623.db2.gz GWGMBBDAFZRAEV-OXJNMPFZSA-N 2 2 334.467 3.326 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)ccn12 ZINC000569743735 459502945 /nfs/dbraw/zinc/50/29/45/459502945.db2.gz MONXDNRUEJXHNC-GOSISDBHSA-N 2 2 334.423 3.444 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCC[NH2+]1 ZINC000569802261 459512728 /nfs/dbraw/zinc/51/27/28/459512728.db2.gz MJEQRBPHNOLICJ-AUUYWEPGSA-N 2 2 341.430 3.308 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+]CC(=O)Nc2ccc(F)cc2)c2ccccn21 ZINC000569978396 459541657 /nfs/dbraw/zinc/54/16/57/459541657.db2.gz GQKYYPXBBWAPEH-UHFFFAOYSA-N 2 2 340.402 3.325 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)c2ccccc21 ZINC000583558859 459558314 /nfs/dbraw/zinc/55/83/14/459558314.db2.gz PTDULZUBDUAGDA-VAMGGRTRSA-N 2 2 335.451 3.085 20 0 EGADLP C[C@@H]1CCCC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542690440 459582016 /nfs/dbraw/zinc/58/20/16/459582016.db2.gz BVNJVPRBSLZMAW-NVXWUHKLSA-N 2 2 342.487 3.428 20 0 EGADLP C[C@@H](CCNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000562612724 459602121 /nfs/dbraw/zinc/60/21/21/459602121.db2.gz HSQKKPXTFFHDKY-FXAWDEMLSA-N 2 2 338.499 3.250 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccccc1)c1ccncn1)CCC2 ZINC000527282977 459621498 /nfs/dbraw/zinc/62/14/98/459621498.db2.gz FJIWWVDPDQRGOK-IEBWSBKVSA-N 2 2 333.439 3.238 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000573168712 459636078 /nfs/dbraw/zinc/63/60/78/459636078.db2.gz BMOWQWPCJVNUBB-OALUTQOASA-N 2 2 344.524 3.385 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000573168712 459636079 /nfs/dbraw/zinc/63/60/79/459636079.db2.gz BMOWQWPCJVNUBB-OALUTQOASA-N 2 2 344.524 3.385 20 0 EGADLP O=C(NC1CC[NH+](C2CC2)CC1)c1ccccc1Oc1cc[nH+]cc1 ZINC000562745673 459639641 /nfs/dbraw/zinc/63/96/41/459639641.db2.gz CTCCBCSQCYMWMP-UHFFFAOYSA-N 2 2 337.423 3.231 20 0 EGADLP C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000573200350 459640709 /nfs/dbraw/zinc/64/07/09/459640709.db2.gz LTUXBOQFWURWLH-MGPUTAFESA-N 2 2 343.446 3.435 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@@H+]1C1CC1 ZINC000499701870 459647678 /nfs/dbraw/zinc/64/76/78/459647678.db2.gz NSTMKCUTWYHPBI-MSOLQXFVSA-N 2 2 349.563 3.015 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C[N@H+]1C1CC1 ZINC000499701870 459647683 /nfs/dbraw/zinc/64/76/83/459647683.db2.gz NSTMKCUTWYHPBI-MSOLQXFVSA-N 2 2 349.563 3.015 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355359 459663946 /nfs/dbraw/zinc/66/39/46/459663946.db2.gz WCRVLPBFWGYZOP-APMMZXSISA-N 3 2 339.458 3.253 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000584166914 459670292 /nfs/dbraw/zinc/67/02/92/459670292.db2.gz PQDWBNCGDBWCNY-IPMKNSEASA-N 2 2 336.414 3.383 20 0 EGADLP C[C@H]1CCC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543620098 459677006 /nfs/dbraw/zinc/67/70/06/459677006.db2.gz VGHFEKYWOZBYKF-HOCLYGCPSA-N 2 2 328.460 3.038 20 0 EGADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000562955941 459680043 /nfs/dbraw/zinc/68/00/43/459680043.db2.gz PFXVZSAENJVJJA-IBGZPJMESA-N 2 2 347.466 3.462 20 0 EGADLP C[C@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C1=CC[N@@H+](C)CC1 ZINC000573507548 459689303 /nfs/dbraw/zinc/68/93/03/459689303.db2.gz HTPNQJPMZGXVFZ-HNNXBMFYSA-N 2 2 337.423 3.254 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(F)cc1OC ZINC000527665589 459691456 /nfs/dbraw/zinc/69/14/56/459691456.db2.gz GMIULMMANXPPSA-CQSZACIVSA-N 2 2 347.434 3.405 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675298 459695301 /nfs/dbraw/zinc/69/53/01/459695301.db2.gz RYJBDVIGDCEQQE-SMDDNHRTSA-N 2 2 328.378 3.429 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675298 459695303 /nfs/dbraw/zinc/69/53/03/459695303.db2.gz RYJBDVIGDCEQQE-SMDDNHRTSA-N 2 2 328.378 3.429 20 0 EGADLP CC1(C)CCC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543770630 459699290 /nfs/dbraw/zinc/69/92/90/459699290.db2.gz YHEMEJZWSDWAKZ-SFHVURJKSA-N 2 2 342.487 3.428 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000573693878 459719823 /nfs/dbraw/zinc/71/98/23/459719823.db2.gz WWGGZLJCDLSDOK-KRWDZBQOSA-N 2 2 337.467 3.052 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000573693878 459719827 /nfs/dbraw/zinc/71/98/27/459719827.db2.gz WWGGZLJCDLSDOK-KRWDZBQOSA-N 2 2 337.467 3.052 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000527801174 459741567 /nfs/dbraw/zinc/74/15/67/459741567.db2.gz QYAWROMQUFAKNB-LKUPVBHCSA-N 2 2 349.478 3.193 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC000527801174 459741571 /nfs/dbraw/zinc/74/15/71/459741571.db2.gz QYAWROMQUFAKNB-LKUPVBHCSA-N 2 2 349.478 3.193 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253583 459748981 /nfs/dbraw/zinc/74/89/81/459748981.db2.gz XBWUUZJKIZGCRW-CJNGLKHVSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253583 459748983 /nfs/dbraw/zinc/74/89/83/459748983.db2.gz XBWUUZJKIZGCRW-CJNGLKHVSA-N 2 2 333.407 3.123 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573931382 459759106 /nfs/dbraw/zinc/75/91/06/459759106.db2.gz TZJROSURCQDGAQ-NEPJUHHUSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573931382 459759110 /nfs/dbraw/zinc/75/91/10/459759110.db2.gz TZJROSURCQDGAQ-NEPJUHHUSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573931383 459759128 /nfs/dbraw/zinc/75/91/28/459759128.db2.gz TZJROSURCQDGAQ-NWDGAFQWSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573931383 459759133 /nfs/dbraw/zinc/75/91/33/459759133.db2.gz TZJROSURCQDGAQ-NWDGAFQWSA-N 2 2 329.429 3.082 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC000566417861 459863354 /nfs/dbraw/zinc/86/33/54/459863354.db2.gz ZDAHPYYLITXLQX-SJORKVTESA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1Oc1ccccc1 ZINC000566417861 459863360 /nfs/dbraw/zinc/86/33/60/459863360.db2.gz ZDAHPYYLITXLQX-SJORKVTESA-N 2 2 328.456 3.442 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000575039297 459913400 /nfs/dbraw/zinc/91/34/00/459913400.db2.gz DPWNXYBPQAFQLQ-GOSISDBHSA-N 2 2 341.430 3.067 20 0 EGADLP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000613862753 459953999 /nfs/dbraw/zinc/95/39/99/459953999.db2.gz VBLJJVKTWLSOKM-IAGOWNOFSA-N 2 2 326.444 3.004 20 0 EGADLP CCOc1cncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000621727492 460032603 /nfs/dbraw/zinc/03/26/03/460032603.db2.gz FOXODXVQFGWQPQ-UHFFFAOYSA-N 2 2 328.460 3.369 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614275103 460076953 /nfs/dbraw/zinc/07/69/53/460076953.db2.gz FUPZNTAJVKXRNZ-SFHVURJKSA-N 2 2 334.423 3.152 20 0 EGADLP CSC1(CNc2cc(C(C)C)[nH+]c(C(C)C)n2)CC[NH+](C)CC1 ZINC000589604618 460108905 /nfs/dbraw/zinc/10/89/05/460108905.db2.gz OJEQVVJZRGUAJJ-UHFFFAOYSA-N 2 2 336.549 3.385 20 0 EGADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000622044778 460169647 /nfs/dbraw/zinc/16/96/47/460169647.db2.gz SGETVUPOESSGHB-GWCFXTLKSA-N 2 2 333.220 3.258 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000576604063 460178069 /nfs/dbraw/zinc/17/80/69/460178069.db2.gz JYMAJVBZLLHXDQ-HNNXBMFYSA-N 2 2 326.444 3.035 20 0 EGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000615317082 460309680 /nfs/dbraw/zinc/30/96/80/460309680.db2.gz UYLAJFAYSTZPSY-OAHLLOKOSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c(C[NH+](C)C)c1 ZINC000603695222 460334637 /nfs/dbraw/zinc/33/46/37/460334637.db2.gz WLQOKOWMGWBEPP-UHFFFAOYSA-N 2 2 336.439 3.194 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000626088068 460366274 /nfs/dbraw/zinc/36/62/74/460366274.db2.gz LHOGQRXUGAQLNN-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000626089281 460367300 /nfs/dbraw/zinc/36/73/00/460367300.db2.gz JMSNCASSWZWIMJ-SFHVURJKSA-N 2 2 336.520 3.055 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732902 460498469 /nfs/dbraw/zinc/49/84/69/460498469.db2.gz ROYXACQBVCQOKM-YZGWKJHDSA-N 3 2 329.532 3.407 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732902 460498474 /nfs/dbraw/zinc/49/84/74/460498474.db2.gz ROYXACQBVCQOKM-YZGWKJHDSA-N 3 2 329.532 3.407 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000634761991 460513154 /nfs/dbraw/zinc/51/31/54/460513154.db2.gz NGVHJUAGYXLNDB-MRXNPFEDSA-N 2 2 339.439 3.382 20 0 EGADLP Cc1cc(N2CCC[C@H]([NH3+])C2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000634807296 460532097 /nfs/dbraw/zinc/53/20/97/460532097.db2.gz FWVUUWMEVWLUBB-AWEZNQCLSA-N 2 2 347.260 3.142 20 0 EGADLP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876434 460761189 /nfs/dbraw/zinc/76/11/89/460761189.db2.gz YGPMISAQXGYIIY-RYRKJORJSA-N 2 2 332.488 3.217 20 0 EGADLP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612876434 460761196 /nfs/dbraw/zinc/76/11/96/460761196.db2.gz YGPMISAQXGYIIY-RYRKJORJSA-N 2 2 332.488 3.217 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892116 460764184 /nfs/dbraw/zinc/76/41/84/460764184.db2.gz FJLZRLLGGXELIA-KDOFPFPSSA-N 2 2 346.906 3.034 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892116 460764185 /nfs/dbraw/zinc/76/41/85/460764185.db2.gz FJLZRLLGGXELIA-KDOFPFPSSA-N 2 2 346.906 3.034 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000607152226 460799868 /nfs/dbraw/zinc/79/98/68/460799868.db2.gz WEELWWKZMRNJBJ-MRXNPFEDSA-N 2 2 348.878 3.395 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000607152226 460799871 /nfs/dbraw/zinc/79/98/71/460799871.db2.gz WEELWWKZMRNJBJ-MRXNPFEDSA-N 2 2 348.878 3.395 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629561279 460809646 /nfs/dbraw/zinc/80/96/46/460809646.db2.gz HNLOYJDFRSQBBX-NEPJUHHUSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Cl ZINC000629561279 460809653 /nfs/dbraw/zinc/80/96/53/460809653.db2.gz HNLOYJDFRSQBBX-NEPJUHHUSA-N 2 2 336.785 3.308 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477403 460818756 /nfs/dbraw/zinc/81/87/56/460818756.db2.gz SAMVNFGJWBDWJA-AEFFLSMTSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477403 460818760 /nfs/dbraw/zinc/81/87/60/460818760.db2.gz SAMVNFGJWBDWJA-AEFFLSMTSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624333171 460964046 /nfs/dbraw/zinc/96/40/46/460964046.db2.gz KSDSQGQPVFEUPH-AEFFLSMTSA-N 2 2 326.440 3.196 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624333171 460964052 /nfs/dbraw/zinc/96/40/52/460964052.db2.gz KSDSQGQPVFEUPH-AEFFLSMTSA-N 2 2 326.440 3.196 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCC1 ZINC000629987755 460987794 /nfs/dbraw/zinc/98/77/94/460987794.db2.gz PKOXNBZTSUQXJB-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CCC1 ZINC000629987755 460987798 /nfs/dbraw/zinc/98/77/98/460987798.db2.gz PKOXNBZTSUQXJB-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000621334353 460993462 /nfs/dbraw/zinc/99/34/62/460993462.db2.gz CBXNNGPTRJHQCW-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000621334353 460993468 /nfs/dbraw/zinc/99/34/68/460993468.db2.gz CBXNNGPTRJHQCW-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OCCCCO)CC1 ZINC000637889392 461104885 /nfs/dbraw/zinc/10/48/85/461104885.db2.gz ONEMYOAIQIWVCA-UHFFFAOYSA-N 2 2 334.504 3.143 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OCCCCO)CC1 ZINC000637889392 461104888 /nfs/dbraw/zinc/10/48/88/461104888.db2.gz ONEMYOAIQIWVCA-UHFFFAOYSA-N 2 2 334.504 3.143 20 0 EGADLP COc1cc(OC)cc(C2(F)CC[NH+](Cc3c[nH+]c(C)n3C)CC2)c1 ZINC000668111849 461110490 /nfs/dbraw/zinc/11/04/90/461110490.db2.gz ZGFDFIRXDFMUJY-UHFFFAOYSA-N 2 2 347.434 3.207 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353884 461149528 /nfs/dbraw/zinc/14/95/28/461149528.db2.gz GJINZOMTGAHCCC-WMLDXEAASA-N 2 2 328.460 3.248 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353884 461149536 /nfs/dbraw/zinc/14/95/36/461149536.db2.gz GJINZOMTGAHCCC-WMLDXEAASA-N 2 2 328.460 3.248 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cncc(Br)c1C ZINC000668168021 461151803 /nfs/dbraw/zinc/15/18/03/461151803.db2.gz KLVAAYMUVGGCQJ-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cncc(Br)c1C ZINC000668168021 461151797 /nfs/dbraw/zinc/15/17/97/461151797.db2.gz KLVAAYMUVGGCQJ-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(CO)cc[nH+]2)C1 ZINC000641296173 461205612 /nfs/dbraw/zinc/20/56/12/461205612.db2.gz WOGJGLZRQPLEAR-MRXNPFEDSA-N 2 2 325.456 3.418 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(CO)cc[nH+]2)C1 ZINC000641296173 461205622 /nfs/dbraw/zinc/20/56/22/461205622.db2.gz WOGJGLZRQPLEAR-MRXNPFEDSA-N 2 2 325.456 3.418 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603454 461211547 /nfs/dbraw/zinc/21/15/47/461211547.db2.gz NOXIVOKHDHCMBD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603454 461211552 /nfs/dbraw/zinc/21/15/52/461211552.db2.gz NOXIVOKHDHCMBD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603454 461211559 /nfs/dbraw/zinc/21/15/59/461211559.db2.gz NOXIVOKHDHCMBD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(C)n3)C2)s1 ZINC000649603454 461211562 /nfs/dbraw/zinc/21/15/62/461211562.db2.gz NOXIVOKHDHCMBD-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613848 461221138 /nfs/dbraw/zinc/22/11/38/461221138.db2.gz YHPRKEAXOYRZAB-SJLPKXTDSA-N 2 2 338.455 3.291 20 0 EGADLP C[C@H](c1ccncc1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613848 461221146 /nfs/dbraw/zinc/22/11/46/461221146.db2.gz YHPRKEAXOYRZAB-SJLPKXTDSA-N 2 2 338.455 3.291 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131237 461260652 /nfs/dbraw/zinc/26/06/52/461260652.db2.gz AEPOBZJDGAKPSB-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131237 461260670 /nfs/dbraw/zinc/26/06/70/461260670.db2.gz AEPOBZJDGAKPSB-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131237 461260676 /nfs/dbraw/zinc/26/06/76/461260676.db2.gz AEPOBZJDGAKPSB-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000638131237 461260681 /nfs/dbraw/zinc/26/06/81/461260681.db2.gz AEPOBZJDGAKPSB-ZDUSSCGKSA-N 2 2 326.868 3.131 20 0 EGADLP Clc1ccc(Cl)c(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000649695694 461279181 /nfs/dbraw/zinc/27/91/81/461279181.db2.gz FOMYXVYZGKJCQH-UHFFFAOYSA-N 2 2 325.243 3.012 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000638173917 461286487 /nfs/dbraw/zinc/28/64/87/461286487.db2.gz HHERURVYBAXMJR-GOSISDBHSA-N 2 2 343.858 3.402 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000638173917 461286493 /nfs/dbraw/zinc/28/64/93/461286493.db2.gz HHERURVYBAXMJR-GOSISDBHSA-N 2 2 343.858 3.402 20 0 EGADLP CSc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000641764687 461359761 /nfs/dbraw/zinc/35/97/61/461359761.db2.gz VTDIBNKWGTXILM-GOSISDBHSA-N 2 2 346.496 3.382 20 0 EGADLP CSc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000641764687 461359769 /nfs/dbraw/zinc/35/97/69/461359769.db2.gz VTDIBNKWGTXILM-GOSISDBHSA-N 2 2 346.496 3.382 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000655680479 461359926 /nfs/dbraw/zinc/35/99/26/461359926.db2.gz MXCXXWVNRFXWAQ-PHFQPQGRSA-N 2 2 332.532 3.434 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@H]1CCCn2cc[nH+]c21)Cc1ccccc1 ZINC000655688377 461362996 /nfs/dbraw/zinc/36/29/96/461362996.db2.gz YVNBSMQWRWHIMX-OALUTQOASA-N 2 2 326.488 3.261 20 0 EGADLP c1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655689020 461363914 /nfs/dbraw/zinc/36/39/14/461363914.db2.gz CZHHBDQWRDHJDI-FPOVZHCZSA-N 2 2 337.467 3.014 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694829 461368280 /nfs/dbraw/zinc/36/82/80/461368280.db2.gz GVIKHPQTACSMGE-UYAOXDASSA-N 2 2 332.488 3.235 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655721385 461391835 /nfs/dbraw/zinc/39/18/35/461391835.db2.gz OMJYRYDVTJIJBL-IIMJZQEZSA-N 2 2 332.463 3.292 20 0 EGADLP Cc1cc(CNC(=O)N(C)CCCC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000641842968 461398324 /nfs/dbraw/zinc/39/83/24/461398324.db2.gz HJYHZBZITPASFG-UHFFFAOYSA-N 2 2 332.492 3.106 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668792794 461437425 /nfs/dbraw/zinc/43/74/25/461437425.db2.gz KCMHNXAFOJDJLT-UHFFFAOYSA-N 2 2 338.377 3.070 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)[NH+]2CCCC2)cc1 ZINC000638455262 461438341 /nfs/dbraw/zinc/43/83/41/461438341.db2.gz VNKDMCIXLKLDGE-IHPCNDPISA-N 2 2 343.515 3.169 20 0 EGADLP Clc1cccc(CC2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000655773935 461438644 /nfs/dbraw/zinc/43/86/44/461438644.db2.gz LKOCAXDBZBJMDU-GOSISDBHSA-N 2 2 334.891 3.258 20 0 EGADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521587 461467187 /nfs/dbraw/zinc/46/71/87/461467187.db2.gz BYGAQHSJMQFDQZ-WOJBJXKFSA-N 2 2 338.536 3.062 20 0 EGADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000638521587 461467194 /nfs/dbraw/zinc/46/71/94/461467194.db2.gz BYGAQHSJMQFDQZ-WOJBJXKFSA-N 2 2 338.536 3.062 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000631039119 461491883 /nfs/dbraw/zinc/49/18/83/461491883.db2.gz CKLDXYIKRLTTPF-QGZVFWFLSA-N 2 2 331.504 3.128 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000653085394 461493853 /nfs/dbraw/zinc/49/38/53/461493853.db2.gz KETHVMHVSVFVLO-FQEVSTJZSA-N 2 2 339.483 3.079 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848974 461495934 /nfs/dbraw/zinc/49/59/34/461495934.db2.gz MZIIRSGKZZKOHF-YSGRDPCXSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848974 461495942 /nfs/dbraw/zinc/49/59/42/461495942.db2.gz MZIIRSGKZZKOHF-YSGRDPCXSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848628 461496332 /nfs/dbraw/zinc/49/63/32/461496332.db2.gz JDMOQZGGINDXDJ-IOMROCGXSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848628 461496335 /nfs/dbraw/zinc/49/63/35/461496335.db2.gz JDMOQZGGINDXDJ-IOMROCGXSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H](C[NH2+]Cc1ccncc1Br)C[NH+]1CCCCC1 ZINC000631045085 461499025 /nfs/dbraw/zinc/49/90/25/461499025.db2.gz BXYSWQHNIIXOEE-CYBMUJFWSA-N 2 2 326.282 3.056 20 0 EGADLP Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653097233 461500578 /nfs/dbraw/zinc/50/05/78/461500578.db2.gz HJDDMPXAEQZWSH-MRXNPFEDSA-N 2 2 327.428 3.005 20 0 EGADLP CO[C@@](C)(C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000638639157 461514405 /nfs/dbraw/zinc/51/44/05/461514405.db2.gz IULICXTVMFXKLK-PXNSSMCTSA-N 2 2 346.515 3.291 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197655 461559802 /nfs/dbraw/zinc/55/98/02/461559802.db2.gz HEFZONJQLBVSIF-YSLLHCQFSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197655 461559810 /nfs/dbraw/zinc/55/98/10/461559810.db2.gz HEFZONJQLBVSIF-YSLLHCQFSA-N 2 2 326.843 3.239 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000631113636 461561183 /nfs/dbraw/zinc/56/11/83/461561183.db2.gz IXLXECSWVSYVCW-FOIQADDNSA-N 2 2 325.456 3.426 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346180 461575907 /nfs/dbraw/zinc/57/59/07/461575907.db2.gz QBUMMSBNAVCWDH-HNNXBMFYSA-N 2 2 346.906 3.438 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346180 461575916 /nfs/dbraw/zinc/57/59/16/461575916.db2.gz QBUMMSBNAVCWDH-HNNXBMFYSA-N 2 2 346.906 3.438 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631139315 461584899 /nfs/dbraw/zinc/58/48/99/461584899.db2.gz MTRGTDKGZVLKOU-CQSZACIVSA-N 2 2 325.460 3.003 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631139315 461584909 /nfs/dbraw/zinc/58/49/09/461584909.db2.gz MTRGTDKGZVLKOU-CQSZACIVSA-N 2 2 325.460 3.003 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cnc([C@@H]4CCCO4)s3)cn21 ZINC000647262531 461597734 /nfs/dbraw/zinc/59/77/34/461597734.db2.gz CBQAPKNIWSGZGL-INIZCTEOSA-N 2 2 342.468 3.283 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000631170495 461609638 /nfs/dbraw/zinc/60/96/38/461609638.db2.gz QBMOCPNYVAZUEN-QGZVFWFLSA-N 2 2 331.504 3.126 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000631170495 461609645 /nfs/dbraw/zinc/60/96/45/461609645.db2.gz QBMOCPNYVAZUEN-QGZVFWFLSA-N 2 2 331.504 3.126 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc3ccccc3c[nH+]2)C1 ZINC000631203393 461639231 /nfs/dbraw/zinc/63/92/31/461639231.db2.gz OOBCMHBVLANAFR-HXUWFJFHSA-N 2 2 333.435 3.414 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc3ccccc3c[nH+]2)C1 ZINC000631203393 461639236 /nfs/dbraw/zinc/63/92/36/461639236.db2.gz OOBCMHBVLANAFR-HXUWFJFHSA-N 2 2 333.435 3.414 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)cn21 ZINC000647363543 461659177 /nfs/dbraw/zinc/65/91/77/461659177.db2.gz CNRCCENIUYKZGR-SJORKVTESA-N 2 2 337.471 3.235 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656253355 461676717 /nfs/dbraw/zinc/67/67/17/461676717.db2.gz KJVNUAPWIZNWDY-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656253355 461676726 /nfs/dbraw/zinc/67/67/26/461676726.db2.gz KJVNUAPWIZNWDY-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000656260233 461684393 /nfs/dbraw/zinc/68/43/93/461684393.db2.gz LRQMLUWDRHETBV-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000656260233 461684397 /nfs/dbraw/zinc/68/43/97/461684397.db2.gz LRQMLUWDRHETBV-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656260233 461684402 /nfs/dbraw/zinc/68/44/02/461684402.db2.gz LRQMLUWDRHETBV-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656260233 461684405 /nfs/dbraw/zinc/68/44/05/461684405.db2.gz LRQMLUWDRHETBV-LJQANCHMSA-N 2 2 344.890 3.362 20 0 EGADLP Fc1cc(Br)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482898 461730485 /nfs/dbraw/zinc/73/04/85/461730485.db2.gz HPAQLYYTAVNEEB-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cc(Br)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482898 461730490 /nfs/dbraw/zinc/73/04/90/461730490.db2.gz HPAQLYYTAVNEEB-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@H]1[NH3+] ZINC000647498290 461736733 /nfs/dbraw/zinc/73/67/33/461736733.db2.gz DODAQTWFGKVILM-SUMWQHHRSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@H]1[NH3+] ZINC000647498290 461736739 /nfs/dbraw/zinc/73/67/39/461736739.db2.gz DODAQTWFGKVILM-SUMWQHHRSA-N 2 2 331.485 3.378 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000643537299 461756212 /nfs/dbraw/zinc/75/62/12/461756212.db2.gz DPZZCRBAFDDJCJ-OUJBWJOFSA-N 2 2 333.234 3.497 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000643537217 461756996 /nfs/dbraw/zinc/75/69/96/461756996.db2.gz BETGWTZMYWARPS-YDHLFZDLSA-N 2 2 327.241 3.116 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000643544661 461758326 /nfs/dbraw/zinc/75/83/26/461758326.db2.gz SGHIOPAGWXKJJG-HNNXBMFYSA-N 3 2 344.528 3.096 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000643547011 461758364 /nfs/dbraw/zinc/75/83/64/461758364.db2.gz YICNFDAUMWXQHS-XJKSGUPXSA-N 2 2 343.450 3.040 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222033 461811917 /nfs/dbraw/zinc/81/19/17/461811917.db2.gz OCBAHSDKIZUGNV-DOTOQJQBSA-N 2 2 328.485 3.304 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639222033 461811920 /nfs/dbraw/zinc/81/19/20/461811920.db2.gz OCBAHSDKIZUGNV-DOTOQJQBSA-N 2 2 328.485 3.304 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496653 461813328 /nfs/dbraw/zinc/81/33/28/461813328.db2.gz ISQTYZKNYMGGSI-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496653 461813336 /nfs/dbraw/zinc/81/33/36/461813336.db2.gz ISQTYZKNYMGGSI-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496653 461813343 /nfs/dbraw/zinc/81/33/43/461813343.db2.gz ISQTYZKNYMGGSI-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc(C)nc(C)n3)C2)s1 ZINC000660496653 461813351 /nfs/dbraw/zinc/81/33/51/461813351.db2.gz ISQTYZKNYMGGSI-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000669905607 461833505 /nfs/dbraw/zinc/83/35/05/461833505.db2.gz XVPKKAYNYWGZRZ-MRXNPFEDSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000669905607 461833512 /nfs/dbraw/zinc/83/35/12/461833512.db2.gz XVPKKAYNYWGZRZ-MRXNPFEDSA-N 2 2 337.423 3.088 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691362 461844538 /nfs/dbraw/zinc/84/45/38/461844538.db2.gz RFJRCYIFRPOHKJ-TZIWHRDSSA-N 2 2 342.483 3.075 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691362 461844541 /nfs/dbraw/zinc/84/45/41/461844541.db2.gz RFJRCYIFRPOHKJ-TZIWHRDSSA-N 2 2 342.483 3.075 20 0 EGADLP CC[C@@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000647814917 461849268 /nfs/dbraw/zinc/84/92/68/461849268.db2.gz KQXMOSRRWRARJM-GOSISDBHSA-N 2 2 349.906 3.124 20 0 EGADLP CC[C@@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000647814917 461849275 /nfs/dbraw/zinc/84/92/75/461849275.db2.gz KQXMOSRRWRARJM-GOSISDBHSA-N 2 2 349.906 3.124 20 0 EGADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000669948429 461850127 /nfs/dbraw/zinc/85/01/27/461850127.db2.gz AISCKDMKGSOBBY-MRXNPFEDSA-N 2 2 339.439 3.477 20 0 EGADLP Fc1cccc(COc2ccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)cc2)c1 ZINC000666945373 461882813 /nfs/dbraw/zinc/88/28/13/461882813.db2.gz MPIGDJIKKDLRJX-ROUUACIJSA-N 2 2 332.394 3.194 20 0 EGADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc2ccccc2c1 ZINC000647925514 461889038 /nfs/dbraw/zinc/88/90/38/461889038.db2.gz LZZSIVBVGCEIFT-CVEARBPZSA-N 2 2 339.483 3.219 20 0 EGADLP FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781968 461891897 /nfs/dbraw/zinc/89/18/97/461891897.db2.gz BDMGZMGLJGUNBB-GFCCVEGCSA-N 2 2 333.423 3.374 20 0 EGADLP FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656781968 461891904 /nfs/dbraw/zinc/89/19/04/461891904.db2.gz BDMGZMGLJGUNBB-GFCCVEGCSA-N 2 2 333.423 3.374 20 0 EGADLP COc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000639374227 461892687 /nfs/dbraw/zinc/89/26/87/461892687.db2.gz DWRFTAYNYFSQDG-UHFFFAOYSA-N 2 2 348.487 3.163 20 0 EGADLP COc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1OCc1ccccc1 ZINC000656784238 461893582 /nfs/dbraw/zinc/89/35/82/461893582.db2.gz BGBGVHZAZCFVIW-UHFFFAOYSA-N 2 2 328.456 3.443 20 0 EGADLP COc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1OCc1ccccc1 ZINC000656784238 461893588 /nfs/dbraw/zinc/89/35/88/461893588.db2.gz BGBGVHZAZCFVIW-UHFFFAOYSA-N 2 2 328.456 3.443 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647938927 461895688 /nfs/dbraw/zinc/89/56/88/461895688.db2.gz XDBOKXAWKPYUNS-HFAKWTLXSA-N 2 2 344.286 3.380 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647938927 461895697 /nfs/dbraw/zinc/89/56/97/461895697.db2.gz XDBOKXAWKPYUNS-HFAKWTLXSA-N 2 2 344.286 3.380 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655148 461905698 /nfs/dbraw/zinc/90/56/98/461905698.db2.gz KOIODGXQJDNFEW-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655148 461905704 /nfs/dbraw/zinc/90/57/04/461905704.db2.gz KOIODGXQJDNFEW-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655148 461905709 /nfs/dbraw/zinc/90/57/09/461905709.db2.gz KOIODGXQJDNFEW-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655148 461905714 /nfs/dbraw/zinc/90/57/14/461905714.db2.gz KOIODGXQJDNFEW-HNAYVOBHSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657230 461908906 /nfs/dbraw/zinc/90/89/06/461908906.db2.gz WTHYTVOQWAFOAM-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657230 461908911 /nfs/dbraw/zinc/90/89/11/461908911.db2.gz WTHYTVOQWAFOAM-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657230 461908918 /nfs/dbraw/zinc/90/89/18/461908918.db2.gz WTHYTVOQWAFOAM-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657230 461908926 /nfs/dbraw/zinc/90/89/26/461908926.db2.gz WTHYTVOQWAFOAM-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679384 461923060 /nfs/dbraw/zinc/92/30/60/461923060.db2.gz OVEHLWOATDBUAX-GOSISDBHSA-N 2 2 345.531 3.134 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650764260 461941597 /nfs/dbraw/zinc/94/15/97/461941597.db2.gz USJMPZROKFKHLX-UHFFFAOYSA-N 3 2 335.923 3.284 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648012562 461941674 /nfs/dbraw/zinc/94/16/74/461941674.db2.gz KJCRGDRBKSLJNG-SJORKVTESA-N 2 2 328.460 3.047 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648012562 461941680 /nfs/dbraw/zinc/94/16/80/461941680.db2.gz KJCRGDRBKSLJNG-SJORKVTESA-N 2 2 328.460 3.047 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648012562 461941685 /nfs/dbraw/zinc/94/16/85/461941685.db2.gz KJCRGDRBKSLJNG-SJORKVTESA-N 2 2 328.460 3.047 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648012562 461941690 /nfs/dbraw/zinc/94/16/90/461941690.db2.gz KJCRGDRBKSLJNG-SJORKVTESA-N 2 2 328.460 3.047 20 0 EGADLP Cc1nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664137915 461953838 /nfs/dbraw/zinc/95/38/38/461953838.db2.gz ZIMGEQLZKNFEQO-GFCCVEGCSA-N 2 2 341.297 3.388 20 0 EGADLP Cc1nc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(Br)c(C)[nH+]1 ZINC000664137915 461953844 /nfs/dbraw/zinc/95/38/44/461953844.db2.gz ZIMGEQLZKNFEQO-GFCCVEGCSA-N 2 2 341.297 3.388 20 0 EGADLP CCc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000664138594 461955854 /nfs/dbraw/zinc/95/58/54/461955854.db2.gz RHGJYUKVKXZTON-OAHLLOKOSA-N 2 2 339.487 3.055 20 0 EGADLP CCc1cc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000664138594 461955862 /nfs/dbraw/zinc/95/58/62/461955862.db2.gz RHGJYUKVKXZTON-OAHLLOKOSA-N 2 2 339.487 3.055 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853379 461997301 /nfs/dbraw/zinc/99/73/01/461997301.db2.gz WQBMGMWQZPVRMQ-LSDHHAIUSA-N 2 2 342.487 3.121 20 0 EGADLP FC(F)(F)COCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660854485 461997624 /nfs/dbraw/zinc/99/76/24/461997624.db2.gz XPQKNDZIMLTIOT-UHFFFAOYSA-N 2 2 341.377 3.396 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000667222829 462001210 /nfs/dbraw/zinc/00/12/10/462001210.db2.gz DKPLQIIXWICQAG-KRWDZBQOSA-N 2 2 341.459 3.176 20 0 EGADLP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657495472 462157064 /nfs/dbraw/zinc/15/70/64/462157064.db2.gz IPWDZYLUUJNHDZ-ZDUSSCGKSA-N 2 2 326.419 3.181 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667590011 462161828 /nfs/dbraw/zinc/16/18/28/462161828.db2.gz IWSHDLNHTMKWJY-UHFFFAOYSA-N 3 2 338.499 3.173 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667590011 462161835 /nfs/dbraw/zinc/16/18/35/462161835.db2.gz IWSHDLNHTMKWJY-UHFFFAOYSA-N 3 2 338.499 3.173 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599430 462166797 /nfs/dbraw/zinc/16/67/97/462166797.db2.gz VEJBUCQVSUVVFU-UHFFFAOYSA-N 2 2 338.499 3.394 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000667599430 462166800 /nfs/dbraw/zinc/16/68/00/462166800.db2.gz VEJBUCQVSUVVFU-UHFFFAOYSA-N 2 2 338.499 3.394 20 0 EGADLP CCCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(C)c1 ZINC000667636910 462185481 /nfs/dbraw/zinc/18/54/81/462185481.db2.gz AEKODHJEJZMHRD-UHFFFAOYSA-N 2 2 334.504 3.062 20 0 EGADLP CCCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC000667636910 462185486 /nfs/dbraw/zinc/18/54/86/462185486.db2.gz AEKODHJEJZMHRD-UHFFFAOYSA-N 2 2 334.504 3.062 20 0 EGADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983301 462204778 /nfs/dbraw/zinc/20/47/78/462204778.db2.gz QXGLWOGMSLUPFM-OKZBNKHCSA-N 2 2 335.536 3.115 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000639986773 462205607 /nfs/dbraw/zinc/20/56/07/462205607.db2.gz RLGILUNZRYVNMG-LJQANCHMSA-N 2 2 341.499 3.280 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000639987943 462207865 /nfs/dbraw/zinc/20/78/65/462207865.db2.gz LLJVZWCDGGSKRP-QGZVFWFLSA-N 2 2 330.472 3.167 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667688328 462216393 /nfs/dbraw/zinc/21/63/93/462216393.db2.gz NPXAVAKZOFFJPG-KRWDZBQOSA-N 3 2 330.520 3.306 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667688328 462216399 /nfs/dbraw/zinc/21/63/99/462216399.db2.gz NPXAVAKZOFFJPG-KRWDZBQOSA-N 3 2 330.520 3.306 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000651682311 462301515 /nfs/dbraw/zinc/30/15/15/462301515.db2.gz VBKONHUQSALJHI-UHFFFAOYSA-N 2 2 338.499 3.453 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657881220 462307055 /nfs/dbraw/zinc/30/70/55/462307055.db2.gz RPVQEAKRIISBNL-SUMDDJOVSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657881220 462307060 /nfs/dbraw/zinc/30/70/60/462307060.db2.gz RPVQEAKRIISBNL-SUMDDJOVSA-N 2 2 335.923 3.202 20 0 EGADLP C[N@@H+]1CC[C@@H](NCC[NH+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385444 462308520 /nfs/dbraw/zinc/30/85/20/462308520.db2.gz KLBXIWHYLRUYFS-DHIUTWEWSA-N 2 2 349.522 3.470 20 0 EGADLP C[N@H+]1CC[C@@H](NCC[NH+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385444 462308527 /nfs/dbraw/zinc/30/85/27/462308527.db2.gz KLBXIWHYLRUYFS-DHIUTWEWSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@@H](NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385444 462308531 /nfs/dbraw/zinc/30/85/31/462308531.db2.gz KLBXIWHYLRUYFS-DHIUTWEWSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@@H](NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385444 462308535 /nfs/dbraw/zinc/30/85/35/462308535.db2.gz KLBXIWHYLRUYFS-DHIUTWEWSA-N 2 2 349.522 3.470 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000665257165 462373441 /nfs/dbraw/zinc/37/34/41/462373441.db2.gz BGYUFYNMPVKCDB-BOFPYLFWSA-N 2 2 328.435 3.029 20 0 EGADLP CCCCC[N@H+](CC[NH2+]C1CCN(C(C)=O)CC1)Cc1ccccc1 ZINC000651910660 462376900 /nfs/dbraw/zinc/37/69/00/462376900.db2.gz COWGLGGKKPNQFZ-UHFFFAOYSA-N 2 2 345.531 3.279 20 0 EGADLP CCCCC[N@@H+](CC[NH2+]C1CCN(C(C)=O)CC1)Cc1ccccc1 ZINC000651910660 462376908 /nfs/dbraw/zinc/37/69/08/462376908.db2.gz COWGLGGKKPNQFZ-UHFFFAOYSA-N 2 2 345.531 3.279 20 0 EGADLP CC[N@H+](CCC[NH2+]Cc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000651909677 462377414 /nfs/dbraw/zinc/37/74/14/462377414.db2.gz SKUDGQNOOIOMKT-UHFFFAOYSA-N 2 2 345.535 3.211 20 0 EGADLP CC[N@@H+](CCC[NH2+]Cc1cnc(N2CCCC2)nc1)C1CCCCC1 ZINC000651909677 462377418 /nfs/dbraw/zinc/37/74/18/462377418.db2.gz SKUDGQNOOIOMKT-UHFFFAOYSA-N 2 2 345.535 3.211 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097366 462381211 /nfs/dbraw/zinc/38/12/11/462381211.db2.gz WUMTWELMOIBPMQ-PBHICJAKSA-N 2 2 334.504 3.406 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1OC ZINC000658097366 462381216 /nfs/dbraw/zinc/38/12/16/462381216.db2.gz WUMTWELMOIBPMQ-PBHICJAKSA-N 2 2 334.504 3.406 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292136 462389333 /nfs/dbraw/zinc/38/93/33/462389333.db2.gz UBUCRMCVMNDHNO-GFCCVEGCSA-N 2 2 340.427 3.109 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000668084705 462413392 /nfs/dbraw/zinc/41/33/92/462413392.db2.gz SZYFTOOKBGBNEJ-UHFFFAOYSA-N 2 2 339.487 3.210 20 0 EGADLP CC(=O)c1ccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640532155 462430922 /nfs/dbraw/zinc/43/09/22/462430922.db2.gz AUELODJEDWQTKK-UHFFFAOYSA-N 2 2 345.487 3.026 20 0 EGADLP CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640532155 462430927 /nfs/dbraw/zinc/43/09/27/462430927.db2.gz AUELODJEDWQTKK-UHFFFAOYSA-N 2 2 345.487 3.026 20 0 EGADLP CC(=O)c1ccccc1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533525 462431914 /nfs/dbraw/zinc/43/19/14/462431914.db2.gz UMDMBIXKAQMQCF-UHFFFAOYSA-N 2 2 345.487 3.026 20 0 EGADLP CC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533525 462431918 /nfs/dbraw/zinc/43/19/18/462431918.db2.gz UMDMBIXKAQMQCF-UHFFFAOYSA-N 2 2 345.487 3.026 20 0 EGADLP Cn1cc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000658215547 462432010 /nfs/dbraw/zinc/43/20/10/462432010.db2.gz SXCGGPPYKGTROD-UHFFFAOYSA-N 2 2 334.467 3.374 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159022 462455717 /nfs/dbraw/zinc/45/57/17/462455717.db2.gz QBWYGBNVHFASIV-QRTARXTBSA-N 2 2 348.487 3.378 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159022 462455721 /nfs/dbraw/zinc/45/57/21/462455721.db2.gz QBWYGBNVHFASIV-QRTARXTBSA-N 2 2 348.487 3.378 20 0 EGADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295153 462461229 /nfs/dbraw/zinc/46/12/29/462461229.db2.gz KUJMRJFQYAXBQG-XJKSGUPXSA-N 2 2 338.879 3.253 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000658294963 462462015 /nfs/dbraw/zinc/46/20/15/462462015.db2.gz KLEQKQMZBZBEOO-QAPCUYQASA-N 2 2 325.456 3.139 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCS2 ZINC000658296623 462462507 /nfs/dbraw/zinc/46/25/07/462462507.db2.gz UNRSBZQKOYHYNT-MAUKXSAKSA-N 2 2 348.512 3.075 20 0 EGADLP C[C@H](CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1)c1ccc(F)cc1 ZINC000525874814 478398787 /nfs/dbraw/zinc/39/87/87/478398787.db2.gz WEUBXKVXVXVVQJ-OAHLLOKOSA-N 2 2 328.435 3.188 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3cccc(O)c3)c2cc1C ZINC000181515958 534138694 /nfs/dbraw/zinc/13/86/94/534138694.db2.gz PJUUHQWYWVIEHO-QAPCUYQASA-N 2 2 339.439 3.070 20 0 EGADLP Fc1ccc([C@H](NC2CC[NH+](CC3CC3)CC2)c2[nH]cc[nH+]2)cc1 ZINC000187797977 534493171 /nfs/dbraw/zinc/49/31/71/534493171.db2.gz QBQXSXFNIGIEMQ-SFHVURJKSA-N 2 2 328.435 3.102 20 0 EGADLP CC(C)n1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000179602060 528560760 /nfs/dbraw/zinc/56/07/60/528560760.db2.gz YBTCATSUQQUJFN-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000179602060 528560768 /nfs/dbraw/zinc/56/07/68/528560768.db2.gz YBTCATSUQQUJFN-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000179602060 528560772 /nfs/dbraw/zinc/56/07/72/528560772.db2.gz YBTCATSUQQUJFN-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000179602060 528560777 /nfs/dbraw/zinc/56/07/77/528560777.db2.gz YBTCATSUQQUJFN-IBGZPJMESA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnc21 ZINC000173874546 528663258 /nfs/dbraw/zinc/66/32/58/528663258.db2.gz WVNOOFGZJGPLBX-KRWDZBQOSA-N 2 2 341.503 3.320 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnc21 ZINC000173874546 528663262 /nfs/dbraw/zinc/66/32/62/528663262.db2.gz WVNOOFGZJGPLBX-KRWDZBQOSA-N 2 2 341.503 3.320 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000191520439 528866943 /nfs/dbraw/zinc/86/69/43/528866943.db2.gz XNXDOPMXGTUDGX-UHFFFAOYSA-N 2 2 342.491 3.162 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(C2CC2)n1C1CC1 ZINC000191520439 528866946 /nfs/dbraw/zinc/86/69/46/528866946.db2.gz XNXDOPMXGTUDGX-UHFFFAOYSA-N 2 2 342.491 3.162 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000187964532 529014908 /nfs/dbraw/zinc/01/49/08/529014908.db2.gz NLGQJGVEMFRRCP-YJBOKZPZSA-N 2 2 330.451 3.348 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000187964532 529014912 /nfs/dbraw/zinc/01/49/12/529014912.db2.gz NLGQJGVEMFRRCP-YJBOKZPZSA-N 2 2 330.451 3.348 20 0 EGADLP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351582417 535220106 /nfs/dbraw/zinc/22/01/06/535220106.db2.gz PYUSZUDDYGYMIZ-SFHVURJKSA-N 2 2 334.504 3.001 20 0 EGADLP CC(C)COc1ccc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351582417 535220112 /nfs/dbraw/zinc/22/01/12/535220112.db2.gz PYUSZUDDYGYMIZ-SFHVURJKSA-N 2 2 334.504 3.001 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122568327 546733686 /nfs/dbraw/zinc/73/36/86/546733686.db2.gz UDYXLEJELKWUMS-HXUWFJFHSA-N 2 2 344.499 3.089 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000123133445 546738706 /nfs/dbraw/zinc/73/87/06/546738706.db2.gz KFVUCWJIVXSTAK-UWJYYQICSA-N 3 2 329.532 3.143 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000123133445 546738711 /nfs/dbraw/zinc/73/87/11/546738711.db2.gz KFVUCWJIVXSTAK-UWJYYQICSA-N 3 2 329.532 3.143 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000155437166 546903077 /nfs/dbraw/zinc/90/30/77/546903077.db2.gz FTFAQTADSKCWOV-IIBYNOLFSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000155437166 546903078 /nfs/dbraw/zinc/90/30/78/546903078.db2.gz FTFAQTADSKCWOV-IIBYNOLFSA-N 2 2 337.467 3.398 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166223788 546988472 /nfs/dbraw/zinc/98/84/72/546988472.db2.gz MPAKTDGQQADNSE-VQTJNVASSA-N 3 2 331.479 3.007 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166223788 546988475 /nfs/dbraw/zinc/98/84/75/546988475.db2.gz MPAKTDGQQADNSE-VQTJNVASSA-N 3 2 331.479 3.007 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000194155712 547218744 /nfs/dbraw/zinc/21/87/44/547218744.db2.gz RGDICXXFDQQIRT-WMLDXEAASA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000194155712 547218753 /nfs/dbraw/zinc/21/87/53/547218753.db2.gz RGDICXXFDQQIRT-WMLDXEAASA-N 2 2 338.492 3.309 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784450 547457769 /nfs/dbraw/zinc/45/77/69/547457769.db2.gz WZMHDVWKMZGUPA-GDBMZVCRSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784450 547457773 /nfs/dbraw/zinc/45/77/73/547457773.db2.gz WZMHDVWKMZGUPA-GDBMZVCRSA-N 2 2 334.410 3.108 20 0 EGADLP Cc1nc2[nH]ccc2c(N2CCC(c3[nH+]cc4n3CCCC4)CC2)[nH+]1 ZINC000333406400 547535243 /nfs/dbraw/zinc/53/52/43/547535243.db2.gz GFDSNCURJSVGDO-UHFFFAOYSA-N 2 2 336.443 3.183 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344372999 547609968 /nfs/dbraw/zinc/60/99/68/547609968.db2.gz KMGCQZSPNJJLPV-BDJLRTHQSA-N 2 2 336.277 3.013 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344372999 547609976 /nfs/dbraw/zinc/60/99/76/547609976.db2.gz KMGCQZSPNJJLPV-BDJLRTHQSA-N 2 2 336.277 3.013 20 0 EGADLP CC[NH+](CC)C[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000352300726 547682590 /nfs/dbraw/zinc/68/25/90/547682590.db2.gz FPKITZSWFPLTSN-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP CC[NH+](CC)C[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000352300726 547682587 /nfs/dbraw/zinc/68/25/87/547682587.db2.gz FPKITZSWFPLTSN-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP CCc1cc(N2CCc3c([nH+]cn3-c3ccc(C)cc3)C2)nc(C)[nH+]1 ZINC000362955479 547773246 /nfs/dbraw/zinc/77/32/46/547773246.db2.gz RCLRJCMPMWKEHA-UHFFFAOYSA-N 2 2 333.439 3.404 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000536841370 548057834 /nfs/dbraw/zinc/05/78/34/548057834.db2.gz SSNQSCJSDLGJAY-YHYVQYDKSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000536841370 548057839 /nfs/dbraw/zinc/05/78/39/548057839.db2.gz SSNQSCJSDLGJAY-YHYVQYDKSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536841370 548057846 /nfs/dbraw/zinc/05/78/46/548057846.db2.gz SSNQSCJSDLGJAY-YHYVQYDKSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536841370 548057852 /nfs/dbraw/zinc/05/78/52/548057852.db2.gz SSNQSCJSDLGJAY-YHYVQYDKSA-N 2 2 335.495 3.283 20 0 EGADLP c1coc([C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000671681577 548332216 /nfs/dbraw/zinc/33/22/16/548332216.db2.gz DDNXULREWFEDCO-IBGZPJMESA-N 2 2 339.483 3.281 20 0 EGADLP c1coc([C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000671681577 548332219 /nfs/dbraw/zinc/33/22/19/548332219.db2.gz DDNXULREWFEDCO-IBGZPJMESA-N 2 2 339.483 3.281 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000672614646 548452965 /nfs/dbraw/zinc/45/29/65/548452965.db2.gz GXMIXAQQPMEOKA-LEWJYISDSA-N 2 2 338.495 3.233 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000672614646 548452971 /nfs/dbraw/zinc/45/29/71/548452971.db2.gz GXMIXAQQPMEOKA-LEWJYISDSA-N 2 2 338.495 3.233 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[C@H]([N@H+](C)Cc4ccccc4)C3)cn2c1 ZINC000674266311 548715938 /nfs/dbraw/zinc/71/59/38/548715938.db2.gz PABKKCLLDQUURP-FQEVSTJZSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)cn2c1 ZINC000674266311 548715945 /nfs/dbraw/zinc/71/59/45/548715945.db2.gz PABKKCLLDQUURP-FQEVSTJZSA-N 2 2 334.467 3.349 20 0 EGADLP Clc1cccc2c1OC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882655 548996900 /nfs/dbraw/zinc/99/69/00/548996900.db2.gz UAVMEQSTBCOIBJ-RHSMWYFYSA-N 2 2 336.863 3.007 20 0 EGADLP CN(C(=O)C[C@@H]1CCCCC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676883431 549172057 /nfs/dbraw/zinc/17/20/57/549172057.db2.gz OVZUPACRCOJJDP-HKUYNNGSSA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)C[C@@H]1CCCCC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676883431 549172060 /nfs/dbraw/zinc/17/20/60/549172060.db2.gz OVZUPACRCOJJDP-HKUYNNGSSA-N 2 2 349.563 3.220 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056908 549200497 /nfs/dbraw/zinc/20/04/97/549200497.db2.gz MDHQJRUFNYMQRX-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056908 549200500 /nfs/dbraw/zinc/20/05/00/549200500.db2.gz MDHQJRUFNYMQRX-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056908 549200503 /nfs/dbraw/zinc/20/05/03/549200503.db2.gz MDHQJRUFNYMQRX-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@@H](C4CC4)C3)C2)cc1 ZINC000677056908 549200506 /nfs/dbraw/zinc/20/05/06/549200506.db2.gz MDHQJRUFNYMQRX-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160101 549414028 /nfs/dbraw/zinc/41/40/28/549414028.db2.gz JENKALKSXMHIHX-UYAOXDASSA-N 2 2 341.455 3.278 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160101 549414030 /nfs/dbraw/zinc/41/40/30/549414030.db2.gz JENKALKSXMHIHX-UYAOXDASSA-N 2 2 341.455 3.278 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235117 549436188 /nfs/dbraw/zinc/43/61/88/549436188.db2.gz OFTRWJZRDVLYQD-CQSZACIVSA-N 2 2 343.381 3.389 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235117 549436190 /nfs/dbraw/zinc/43/61/90/549436190.db2.gz OFTRWJZRDVLYQD-CQSZACIVSA-N 2 2 343.381 3.389 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)n1 ZINC000678413978 549486831 /nfs/dbraw/zinc/48/68/31/549486831.db2.gz PPURYRKACIWCGF-QGZVFWFLSA-N 2 2 339.483 3.381 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000678590447 549526102 /nfs/dbraw/zinc/52/61/02/549526102.db2.gz HRAATMBTNBWDMY-KSCDAYEDSA-N 2 2 338.495 3.261 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000678590447 549526104 /nfs/dbraw/zinc/52/61/04/549526104.db2.gz HRAATMBTNBWDMY-KSCDAYEDSA-N 2 2 338.495 3.261 20 0 EGADLP Fc1cc(Br)cc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000678884447 549588436 /nfs/dbraw/zinc/58/84/36/549588436.db2.gz KVVYFZIETSQABD-UHFFFAOYSA-N 2 2 338.224 3.233 20 0 EGADLP Fc1cc(Br)cc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000678884447 549588440 /nfs/dbraw/zinc/58/84/40/549588440.db2.gz KVVYFZIETSQABD-UHFFFAOYSA-N 2 2 338.224 3.233 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364581 549697139 /nfs/dbraw/zinc/69/71/39/549697139.db2.gz HLXCXTKPBDPUBV-VQIMIIECSA-N 2 2 344.890 3.111 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364581 549697141 /nfs/dbraw/zinc/69/71/41/549697141.db2.gz HLXCXTKPBDPUBV-VQIMIIECSA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364581 549697143 /nfs/dbraw/zinc/69/71/43/549697143.db2.gz HLXCXTKPBDPUBV-VQIMIIECSA-N 2 2 344.890 3.111 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4Cl)c3)[C@@H]2C1 ZINC000679364581 549697145 /nfs/dbraw/zinc/69/71/45/549697145.db2.gz HLXCXTKPBDPUBV-VQIMIIECSA-N 2 2 344.890 3.111 20 0 EGADLP CC[NH+](CC)Cc1nc(C2([NH2+]Cc3ccc(O)cc3)CCCC2)no1 ZINC000679394774 549703431 /nfs/dbraw/zinc/70/34/31/549703431.db2.gz QBKTUYHFTYHHDC-UHFFFAOYSA-N 2 2 344.459 3.176 20 0 EGADLP Cc1cc(Nc2cc(-n3cc[nH+]c3)ncn2)c[nH+]c1N1CCCC[C@@H]1C ZINC000679469884 549714282 /nfs/dbraw/zinc/71/42/82/549714282.db2.gz JNNFHBJSFYNFCF-HNNXBMFYSA-N 2 2 349.442 3.488 20 0 EGADLP CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000681110844 549956052 /nfs/dbraw/zinc/95/60/52/549956052.db2.gz ORQDUZJELQEPKG-QGZVFWFLSA-N 2 2 327.428 3.365 20 0 EGADLP CC1(C)OCc2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)ccc2O1 ZINC000681110844 549956056 /nfs/dbraw/zinc/95/60/56/549956056.db2.gz ORQDUZJELQEPKG-QGZVFWFLSA-N 2 2 327.428 3.365 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]CCc1cn3cccc(C)c3[nH+]1)C2 ZINC000683160325 550198839 /nfs/dbraw/zinc/19/88/39/550198839.db2.gz LRGLYDPGJWASHS-KRWDZBQOSA-N 2 2 335.451 3.341 20 0 EGADLP c1c2ccccc2[nH]c1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000683927228 550274273 /nfs/dbraw/zinc/27/42/73/550274273.db2.gz GWBGXBQRENWAFE-UHFFFAOYSA-N 2 2 348.494 3.470 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204246 550304043 /nfs/dbraw/zinc/30/40/43/550304043.db2.gz IDPDTBXQUZZCBG-RTWAWAEBSA-N 2 2 326.484 3.206 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000684204246 550304045 /nfs/dbraw/zinc/30/40/45/550304045.db2.gz IDPDTBXQUZZCBG-RTWAWAEBSA-N 2 2 326.484 3.206 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000684426828 550329124 /nfs/dbraw/zinc/32/91/24/550329124.db2.gz UHUJDGFUUOWDFJ-HNNXBMFYSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470453 550421468 /nfs/dbraw/zinc/42/14/68/550421468.db2.gz QDNWFEIAIFIMOU-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470453 550421469 /nfs/dbraw/zinc/42/14/69/550421469.db2.gz QDNWFEIAIFIMOU-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470453 550421471 /nfs/dbraw/zinc/42/14/71/550421471.db2.gz QDNWFEIAIFIMOU-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470453 550421473 /nfs/dbraw/zinc/42/14/73/550421473.db2.gz QDNWFEIAIFIMOU-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000685579421 550429915 /nfs/dbraw/zinc/42/99/15/550429915.db2.gz CMJGRWFSYDNJCX-KRWDZBQOSA-N 2 2 340.423 3.073 20 0 EGADLP Cc1ccc(-c2nc(=S)n(C[NH+]3CCC(C[NH+](C)C)CC3)[nH]2)cc1 ZINC000738075752 574655436 /nfs/dbraw/zinc/65/54/36/574655436.db2.gz IRZNWSWVHFQLNP-UHFFFAOYSA-N 2 2 345.516 3.147 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728115882 574717991 /nfs/dbraw/zinc/71/79/91/574717991.db2.gz VGZPANFZTXDLSI-RHSMWYFYSA-N 2 2 342.405 3.299 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728115882 574717994 /nfs/dbraw/zinc/71/79/94/574717994.db2.gz VGZPANFZTXDLSI-RHSMWYFYSA-N 2 2 342.405 3.299 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000729682540 574878496 /nfs/dbraw/zinc/87/84/96/574878496.db2.gz UAPYLODXCOILIM-GOSISDBHSA-N 2 2 325.456 3.071 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000729682540 574878498 /nfs/dbraw/zinc/87/84/98/574878498.db2.gz UAPYLODXCOILIM-GOSISDBHSA-N 2 2 325.456 3.071 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C[C@@H](C)O1 ZINC000731674872 575196734 /nfs/dbraw/zinc/19/67/34/575196734.db2.gz GFFNRBXHIINFSO-IAGOWNOFSA-N 2 2 346.515 3.379 20 0 EGADLP c1csc(-c2ccn(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000742169526 576754927 /nfs/dbraw/zinc/75/49/27/576754927.db2.gz SCJDJKKNKHZZPI-MRXNPFEDSA-N 2 2 330.501 3.377 20 0 EGADLP c1csc(-c2ccn(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)c1 ZINC000742169526 576754928 /nfs/dbraw/zinc/75/49/28/576754928.db2.gz SCJDJKKNKHZZPI-MRXNPFEDSA-N 2 2 330.501 3.377 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742375046 576775491 /nfs/dbraw/zinc/77/54/91/576775491.db2.gz LKARWXGVNUOQLJ-WMLDXEAASA-N 2 2 346.906 3.466 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742375046 576775493 /nfs/dbraw/zinc/77/54/93/576775493.db2.gz LKARWXGVNUOQLJ-WMLDXEAASA-N 2 2 346.906 3.466 20 0 EGADLP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409491 576808794 /nfs/dbraw/zinc/80/87/94/576808794.db2.gz WTOTUKGXGIJQHW-KRWDZBQOSA-N 2 2 349.569 3.122 20 0 EGADLP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409491 576808795 /nfs/dbraw/zinc/80/87/95/576808795.db2.gz WTOTUKGXGIJQHW-KRWDZBQOSA-N 2 2 349.569 3.122 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409491 576808796 /nfs/dbraw/zinc/80/87/96/576808796.db2.gz WTOTUKGXGIJQHW-KRWDZBQOSA-N 2 2 349.569 3.122 20 0 EGADLP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1CCSC1=S ZINC000743409491 576808797 /nfs/dbraw/zinc/80/87/97/576808797.db2.gz WTOTUKGXGIJQHW-KRWDZBQOSA-N 2 2 349.569 3.122 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1Br ZINC000719460090 1298316329 /nfs/dbraw/zinc/31/63/29/1298316329.db2.gz GBHHWVTVPLDIBE-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP Clc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000069747493 1292249006 /nfs/dbraw/zinc/24/90/06/1292249006.db2.gz DCCUTFGUZUOILM-UHFFFAOYSA-N 2 2 330.859 3.462 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000071895960 1292270279 /nfs/dbraw/zinc/27/02/79/1292270279.db2.gz SIOAKZACGXREPT-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000071895960 1292270287 /nfs/dbraw/zinc/27/02/87/1292270287.db2.gz SIOAKZACGXREPT-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000076068468 1292418784 /nfs/dbraw/zinc/41/87/84/1292418784.db2.gz RMHXPTBSLHNXLI-GUDVDZBRSA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000076068468 1292418786 /nfs/dbraw/zinc/41/87/86/1292418786.db2.gz RMHXPTBSLHNXLI-GUDVDZBRSA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000076068468 1292418788 /nfs/dbraw/zinc/41/87/88/1292418788.db2.gz RMHXPTBSLHNXLI-GUDVDZBRSA-N 2 2 336.545 3.085 20 0 EGADLP CCS[C@@H]1CC[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000076068468 1292418791 /nfs/dbraw/zinc/41/87/91/1292418791.db2.gz RMHXPTBSLHNXLI-GUDVDZBRSA-N 2 2 336.545 3.085 20 0 EGADLP CCOC(=O)N1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000089154930 1292758782 /nfs/dbraw/zinc/75/87/82/1292758782.db2.gz YXSFMUFWJSNQIT-MRXNPFEDSA-N 2 2 347.503 3.326 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)n1 ZINC000116368625 1293204062 /nfs/dbraw/zinc/20/40/62/1293204062.db2.gz CQOSXSSDAFHRHG-MRXNPFEDSA-N 2 2 325.456 3.411 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3COC4(CCCCC4)O3)cc2)c[nH+]1 ZINC000128314269 1293589343 /nfs/dbraw/zinc/58/93/43/1293589343.db2.gz NDGRBJDQGSNQKD-SFHVURJKSA-N 2 2 327.428 3.038 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160820646 1294278152 /nfs/dbraw/zinc/27/81/52/1294278152.db2.gz XCUWPOGKMFYMHV-QGZVFWFLSA-N 2 2 339.524 3.194 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160820646 1294278158 /nfs/dbraw/zinc/27/81/58/1294278158.db2.gz XCUWPOGKMFYMHV-QGZVFWFLSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000164029738 1294342743 /nfs/dbraw/zinc/34/27/43/1294342743.db2.gz XRUJBEHFJZFAGA-CQSZACIVSA-N 2 2 342.443 3.142 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000178427880 1294733856 /nfs/dbraw/zinc/73/38/56/1294733856.db2.gz SAAJVLVVIYQRJB-KRWDZBQOSA-N 2 2 343.471 3.152 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000178427880 1294733865 /nfs/dbraw/zinc/73/38/65/1294733865.db2.gz SAAJVLVVIYQRJB-KRWDZBQOSA-N 2 2 343.471 3.152 20 0 EGADLP C/C=C(\CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189187079 1295506666 /nfs/dbraw/zinc/50/66/66/1295506666.db2.gz NIPFOVVXVRTFSS-DVNWRSDPSA-N 2 2 335.536 3.138 20 0 EGADLP C/C=C(\CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189187079 1295506677 /nfs/dbraw/zinc/50/66/77/1295506677.db2.gz NIPFOVVXVRTFSS-DVNWRSDPSA-N 2 2 335.536 3.138 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2CCC=CO2)CCOCC1)c1ccccc1 ZINC000194459076 1295979217 /nfs/dbraw/zinc/97/92/17/1295979217.db2.gz KZTGYQJNAVDHOA-HKUYNNGSSA-N 2 2 330.472 3.169 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000246938469 1296376154 /nfs/dbraw/zinc/37/61/54/1296376154.db2.gz ALPMQNQVTALYLO-ICSRJNTNSA-N 2 2 343.515 3.154 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000246938469 1296376171 /nfs/dbraw/zinc/37/61/71/1296376171.db2.gz ALPMQNQVTALYLO-ICSRJNTNSA-N 2 2 343.515 3.154 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248386409 1296411508 /nfs/dbraw/zinc/41/15/08/1296411508.db2.gz MMVBGOYRGOFTTA-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248386409 1296411513 /nfs/dbraw/zinc/41/15/13/1296411513.db2.gz MMVBGOYRGOFTTA-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000301516149 1296790911 /nfs/dbraw/zinc/79/09/11/1296790911.db2.gz SWGFBKRFRQJFSN-SJORKVTESA-N 2 2 339.524 3.288 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061070 1297513455 /nfs/dbraw/zinc/51/34/55/1297513455.db2.gz DZHHJFNVFXDONM-DOTOQJQBSA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061070 1297513460 /nfs/dbraw/zinc/51/34/60/1297513460.db2.gz DZHHJFNVFXDONM-DOTOQJQBSA-N 2 2 340.471 3.189 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376426782 1297517942 /nfs/dbraw/zinc/51/79/42/1297517942.db2.gz MDODVHWOESQSSW-HOCLYGCPSA-N 2 2 337.427 3.411 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376426782 1297517946 /nfs/dbraw/zinc/51/79/46/1297517946.db2.gz MDODVHWOESQSSW-HOCLYGCPSA-N 2 2 337.427 3.411 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000378965663 1297531897 /nfs/dbraw/zinc/53/18/97/1297531897.db2.gz ZRDXIYXLWOJVQZ-AZUAARDMSA-N 2 2 332.488 3.064 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000378965663 1297531906 /nfs/dbraw/zinc/53/19/06/1297531906.db2.gz ZRDXIYXLWOJVQZ-AZUAARDMSA-N 2 2 332.488 3.064 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000379839165 1297540960 /nfs/dbraw/zinc/54/09/60/1297540960.db2.gz ZZZYNXVHNKNUBY-SFHVURJKSA-N 2 2 325.456 3.097 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385418 1297729519 /nfs/dbraw/zinc/72/95/19/1297729519.db2.gz YDMNFJUINOHBJB-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385418 1297729529 /nfs/dbraw/zinc/72/95/29/1297729529.db2.gz YDMNFJUINOHBJB-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000420406068 1297787719 /nfs/dbraw/zinc/78/77/19/1297787719.db2.gz QKYPDXVTZIUFBK-INIZCTEOSA-N 2 2 328.378 3.302 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000420406068 1297787730 /nfs/dbraw/zinc/78/77/30/1297787730.db2.gz QKYPDXVTZIUFBK-INIZCTEOSA-N 2 2 328.378 3.302 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000724027138 1298344106 /nfs/dbraw/zinc/34/41/06/1298344106.db2.gz BJHDSZTWSGKUAX-GVDBMIGSSA-N 2 2 341.540 3.246 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000724030521 1298345956 /nfs/dbraw/zinc/34/59/56/1298345956.db2.gz UCASZODWSJYCTF-IXDOHACOSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651735 1298631466 /nfs/dbraw/zinc/63/14/66/1298631466.db2.gz JCPPLVISXGFYNE-CZUORRHYSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651735 1298631479 /nfs/dbraw/zinc/63/14/79/1298631479.db2.gz JCPPLVISXGFYNE-CZUORRHYSA-N 2 2 330.394 3.155 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000746660183 1298635521 /nfs/dbraw/zinc/63/55/21/1298635521.db2.gz VAISUJNIKDIENY-QGZVFWFLSA-N 2 2 344.421 3.373 20 0 EGADLP CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000746660183 1298635528 /nfs/dbraw/zinc/63/55/28/1298635528.db2.gz VAISUJNIKDIENY-QGZVFWFLSA-N 2 2 344.421 3.373 20 0 EGADLP CC(C)(C)OC(=O)NCC(C)(C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000876650738 1298898361 /nfs/dbraw/zinc/89/83/61/1298898361.db2.gz IBVWOIAMJPDEBE-UHFFFAOYSA-N 2 2 336.480 3.071 20 0 EGADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000751781929 1299624805 /nfs/dbraw/zinc/62/48/05/1299624805.db2.gz SLFMWEOZVDLBJR-UHFFFAOYSA-N 2 2 349.434 3.372 20 0 EGADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000751781929 1299624816 /nfs/dbraw/zinc/62/48/16/1299624816.db2.gz SLFMWEOZVDLBJR-UHFFFAOYSA-N 2 2 349.434 3.372 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167716 1299791854 /nfs/dbraw/zinc/79/18/54/1299791854.db2.gz YRTZXLNZBDTFIJ-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167716 1299791861 /nfs/dbraw/zinc/79/18/61/1299791861.db2.gz YRTZXLNZBDTFIJ-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167716 1299791867 /nfs/dbraw/zinc/79/18/67/1299791867.db2.gz YRTZXLNZBDTFIJ-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000878167716 1299791874 /nfs/dbraw/zinc/79/18/74/1299791874.db2.gz YRTZXLNZBDTFIJ-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(C(C)(C)C)oc3=S)C2)CC1 ZINC000755779631 1300395630 /nfs/dbraw/zinc/39/56/30/1300395630.db2.gz KZXPDMKMTGWPAV-CQSZACIVSA-N 2 2 338.521 3.124 20 0 EGADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(C(C)(C)C)oc3=S)C2)CC1 ZINC000755779631 1300395640 /nfs/dbraw/zinc/39/56/40/1300395640.db2.gz KZXPDMKMTGWPAV-CQSZACIVSA-N 2 2 338.521 3.124 20 0 EGADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1noc(-c3ccsc3)n1)CC2 ZINC000879248794 1300453255 /nfs/dbraw/zinc/45/32/55/1300453255.db2.gz ULGUPRIMCQMLTH-UHFFFAOYSA-N 2 2 332.473 3.106 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277724 1301020182 /nfs/dbraw/zinc/02/01/82/1301020182.db2.gz ONOOZMOOVVCZQN-GOSISDBHSA-N 2 2 335.455 3.461 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277724 1301020193 /nfs/dbraw/zinc/02/01/93/1301020193.db2.gz ONOOZMOOVVCZQN-GOSISDBHSA-N 2 2 335.455 3.461 20 0 EGADLP C[C@H]1CC[N@H+](Cn2ccc(-c3cccs3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160969 1301029808 /nfs/dbraw/zinc/02/98/08/1301029808.db2.gz XKWYCLWUNPRRDZ-HOCLYGCPSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160969 1301029821 /nfs/dbraw/zinc/02/98/21/1301029821.db2.gz XKWYCLWUNPRRDZ-HOCLYGCPSA-N 2 2 327.457 3.349 20 0 EGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cn(Cc2ccccc2)nn1 ZINC000880516958 1301145960 /nfs/dbraw/zinc/14/59/60/1301145960.db2.gz FWVUOMZBIMRFNP-UHFFFAOYSA-N 2 2 341.503 3.024 20 0 EGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cn(Cc2ccccc2)nn1 ZINC000880516958 1301145963 /nfs/dbraw/zinc/14/59/63/1301145963.db2.gz FWVUOMZBIMRFNP-UHFFFAOYSA-N 2 2 341.503 3.024 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569481 1301166270 /nfs/dbraw/zinc/16/62/70/1301166270.db2.gz LWZCSXINHSJPRA-UIFIKXQLSA-N 2 2 335.451 3.379 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857694 1301179513 /nfs/dbraw/zinc/17/95/13/1301179513.db2.gz JQDIYXMRSBARGY-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857694 1301179504 /nfs/dbraw/zinc/17/95/04/1301179504.db2.gz JQDIYXMRSBARGY-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857694 1301179509 /nfs/dbraw/zinc/17/95/09/1301179509.db2.gz JQDIYXMRSBARGY-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857694 1301179516 /nfs/dbraw/zinc/17/95/16/1301179516.db2.gz JQDIYXMRSBARGY-KDOFPFPSSA-N 2 2 340.870 3.176 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(-c2ccccc2)c1 ZINC000764883966 1302159258 /nfs/dbraw/zinc/15/92/58/1302159258.db2.gz HOFMUTIRKODZKB-INIZCTEOSA-N 2 2 335.455 3.298 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCC2=O)cc1 ZINC000765258290 1302230915 /nfs/dbraw/zinc/23/09/15/1302230915.db2.gz KNPMSMQEQWIHQN-INIZCTEOSA-N 2 2 326.444 3.141 20 0 EGADLP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191711 1302407205 /nfs/dbraw/zinc/40/72/05/1302407205.db2.gz NDJQTLBCTILEQA-SJORKVTESA-N 2 2 331.504 3.126 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000885983402 1303308995 /nfs/dbraw/zinc/30/89/95/1303308995.db2.gz FPZKJVYDVRTTQM-HKUYNNGSSA-N 2 2 346.515 3.434 20 0 EGADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000886602318 1303519729 /nfs/dbraw/zinc/51/97/29/1303519729.db2.gz OQSMLVNVBXNHID-KRWDZBQOSA-N 2 2 347.503 3.068 20 0 EGADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000886602318 1303519731 /nfs/dbraw/zinc/51/97/31/1303519731.db2.gz OQSMLVNVBXNHID-KRWDZBQOSA-N 2 2 347.503 3.068 20 0 EGADLP CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000773085246 1303621736 /nfs/dbraw/zinc/62/17/36/1303621736.db2.gz WBGKMNPBITUUEV-YLJYHZDGSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130360 1303685561 /nfs/dbraw/zinc/68/55/61/1303685561.db2.gz BWSBUUSDSFDTJG-JKSUJKDBSA-N 2 2 349.438 3.403 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130360 1303685567 /nfs/dbraw/zinc/68/55/67/1303685567.db2.gz BWSBUUSDSFDTJG-JKSUJKDBSA-N 2 2 349.438 3.403 20 0 EGADLP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000774489903 1303817427 /nfs/dbraw/zinc/81/74/27/1303817427.db2.gz WUJBYKWNMBNELK-LSDHHAIUSA-N 2 2 346.462 3.065 20 0 EGADLP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000774489903 1303817432 /nfs/dbraw/zinc/81/74/32/1303817432.db2.gz WUJBYKWNMBNELK-LSDHHAIUSA-N 2 2 346.462 3.065 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000779009488 1304518574 /nfs/dbraw/zinc/51/85/74/1304518574.db2.gz GXBJNIIRXHXRQZ-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000779009488 1304518578 /nfs/dbraw/zinc/51/85/78/1304518578.db2.gz GXBJNIIRXHXRQZ-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000780521941 1304704481 /nfs/dbraw/zinc/70/44/81/1304704481.db2.gz AZGFHCKCVCTEJA-LSDHHAIUSA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000780521941 1304704485 /nfs/dbraw/zinc/70/44/85/1304704485.db2.gz AZGFHCKCVCTEJA-LSDHHAIUSA-N 2 2 348.796 3.312 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)CC3 ZINC000782762711 1305010365 /nfs/dbraw/zinc/01/03/65/1305010365.db2.gz CAGHNULGTDZHPT-CABCVRRESA-N 2 2 327.472 3.108 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)CC3 ZINC000782762711 1305010373 /nfs/dbraw/zinc/01/03/73/1305010373.db2.gz CAGHNULGTDZHPT-CABCVRRESA-N 2 2 327.472 3.108 20 0 EGADLP CCn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)n1 ZINC000892524430 1305423560 /nfs/dbraw/zinc/42/35/60/1305423560.db2.gz MBOQWDAMOJNDCK-UHFFFAOYSA-N 2 2 326.488 3.008 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000788754222 1306009873 /nfs/dbraw/zinc/00/98/73/1306009873.db2.gz AFQZBXPSQSVBHT-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP O=c1oc2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2o1 ZINC000893998264 1306170539 /nfs/dbraw/zinc/17/05/39/1306170539.db2.gz GMKCVZIOQCPOJK-KRWDZBQOSA-N 2 2 344.455 3.474 20 0 EGADLP O=c1oc2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2o1 ZINC000893998264 1306170544 /nfs/dbraw/zinc/17/05/44/1306170544.db2.gz GMKCVZIOQCPOJK-KRWDZBQOSA-N 2 2 344.455 3.474 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095441 1306216182 /nfs/dbraw/zinc/21/61/82/1306216182.db2.gz QUWJIFHCMIVPGG-AZUAARDMSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccccc2)n1 ZINC000894095441 1306216190 /nfs/dbraw/zinc/21/61/90/1306216190.db2.gz QUWJIFHCMIVPGG-AZUAARDMSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095441 1306216194 /nfs/dbraw/zinc/21/61/94/1306216194.db2.gz QUWJIFHCMIVPGG-AZUAARDMSA-N 2 2 338.499 3.486 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccccc2)n1 ZINC000894095441 1306216196 /nfs/dbraw/zinc/21/61/96/1306216196.db2.gz QUWJIFHCMIVPGG-AZUAARDMSA-N 2 2 338.499 3.486 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000790497165 1306338768 /nfs/dbraw/zinc/33/87/68/1306338768.db2.gz KZWNDWFOKDRBQC-OWCLPIDISA-N 2 2 341.540 3.388 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000790497165 1306338779 /nfs/dbraw/zinc/33/87/79/1306338779.db2.gz KZWNDWFOKDRBQC-OWCLPIDISA-N 2 2 341.540 3.388 20 0 EGADLP COCCOc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000894471277 1308907900 /nfs/dbraw/zinc/90/79/00/1308907900.db2.gz IBIUSVJBFGSZMD-UHFFFAOYSA-N 2 2 347.459 3.194 20 0 EGADLP CC1(C(=O)OCc2cc[nH+]c(N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000792148400 1309129544 /nfs/dbraw/zinc/12/95/44/1309129544.db2.gz AAOUBJDYQNDALB-UHFFFAOYSA-N 2 2 339.439 3.009 20 0 EGADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000895298156 1309274809 /nfs/dbraw/zinc/27/48/09/1309274809.db2.gz RZNCWAVNUARVPX-INIZCTEOSA-N 2 2 343.471 3.099 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000895821645 1309536217 /nfs/dbraw/zinc/53/62/17/1309536217.db2.gz GTEYZYKMOUKIOR-FQEVSTJZSA-N 2 2 344.499 3.305 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000799175649 1310498944 /nfs/dbraw/zinc/49/89/44/1310498944.db2.gz JLAROGCVLMVDCP-UHFFFAOYSA-N 2 2 340.467 3.199 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000799175649 1310498949 /nfs/dbraw/zinc/49/89/49/1310498949.db2.gz JLAROGCVLMVDCP-UHFFFAOYSA-N 2 2 340.467 3.199 20 0 EGADLP COCCCOc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897980939 1310538511 /nfs/dbraw/zinc/53/85/11/1310538511.db2.gz GFEJXTLRKJTURX-UHFFFAOYSA-N 2 2 332.488 3.208 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccc2ccccc2c1 ZINC001019561956 1317292028 /nfs/dbraw/zinc/29/20/28/1317292028.db2.gz CKMKGABAGUYONH-KXBFYZLASA-N 2 2 348.450 3.057 20 0 EGADLP CCNc1ccccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000902405389 1317574908 /nfs/dbraw/zinc/57/49/08/1317574908.db2.gz KUOIBYLMUSUKTJ-SFHVURJKSA-N 2 2 339.487 3.266 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC000902738210 1317610250 /nfs/dbraw/zinc/61/02/50/1317610250.db2.gz CKKLQMZMKBOSKT-KSSFIOAISA-N 2 2 333.439 3.179 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001020296515 1317631980 /nfs/dbraw/zinc/63/19/80/1317631980.db2.gz UBQPNWCNADDTIG-QAQDUYKDSA-N 2 2 340.471 3.384 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N2CCCC2)o1 ZINC000903086588 1317650798 /nfs/dbraw/zinc/65/07/98/1317650798.db2.gz PVQAODIEZZPMJG-ZNBHLAFESA-N 2 2 343.515 3.472 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N2CCCC2)o1 ZINC000903086588 1317650805 /nfs/dbraw/zinc/65/08/05/1317650805.db2.gz PVQAODIEZZPMJG-ZNBHLAFESA-N 2 2 343.515 3.472 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCC3)C2)c(C)[nH+]1 ZINC001020413785 1317686513 /nfs/dbraw/zinc/68/65/13/1317686513.db2.gz KNHVYTOOVMFKHV-IYARVYRRSA-N 2 2 329.488 3.438 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C)C2)c(C)[nH+]1 ZINC001020414647 1317687430 /nfs/dbraw/zinc/68/74/30/1317687430.db2.gz FXWZRGYNPBLPMH-WGSAOQKQSA-N 2 2 337.467 3.366 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739133 1317728076 /nfs/dbraw/zinc/72/80/76/1317728076.db2.gz CRJADZKHFJFRON-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739133 1317728082 /nfs/dbraw/zinc/72/80/82/1317728082.db2.gz CRJADZKHFJFRON-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739133 1317728087 /nfs/dbraw/zinc/72/80/87/1317728087.db2.gz CRJADZKHFJFRON-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739133 1317728092 /nfs/dbraw/zinc/72/80/92/1317728092.db2.gz CRJADZKHFJFRON-NRSPTQNISA-N 3 2 329.532 3.361 20 0 EGADLP COc1ccc2cc(C[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)ccc2c1 ZINC000903975108 1317759752 /nfs/dbraw/zinc/75/97/52/1317759752.db2.gz XTCJPLWMOFHCJC-LJQANCHMSA-N 2 2 340.467 3.097 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245217 1328721027 /nfs/dbraw/zinc/72/10/27/1328721027.db2.gz DKIRRIYVMFBGEI-KRWDZBQOSA-N 2 2 346.906 3.406 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000858245217 1328721031 /nfs/dbraw/zinc/72/10/31/1328721031.db2.gz DKIRRIYVMFBGEI-KRWDZBQOSA-N 2 2 346.906 3.406 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000904346595 1317833778 /nfs/dbraw/zinc/83/37/78/1317833778.db2.gz UUESWVPADQAOMO-MSOLQXFVSA-N 2 2 349.563 3.255 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000809622530 1317848304 /nfs/dbraw/zinc/84/83/04/1317848304.db2.gz JGTIQUYEBRMURJ-BBRMVZONSA-N 2 2 342.468 3.004 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000809729572 1317881942 /nfs/dbraw/zinc/88/19/42/1317881942.db2.gz KERLSBNFDQYWPC-UHFFFAOYSA-N 2 2 347.503 3.368 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000809729572 1317881949 /nfs/dbraw/zinc/88/19/49/1317881949.db2.gz KERLSBNFDQYWPC-UHFFFAOYSA-N 2 2 347.503 3.368 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000809995773 1317933317 /nfs/dbraw/zinc/93/33/17/1317933317.db2.gz WCKZRUJUMVYKEC-SFHVURJKSA-N 2 2 330.403 3.106 20 0 EGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810125830 1317957098 /nfs/dbraw/zinc/95/70/98/1317957098.db2.gz ARNKAFLRUQRMLG-MRXNPFEDSA-N 2 2 326.444 3.141 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361919 1328745509 /nfs/dbraw/zinc/74/55/09/1328745509.db2.gz HUUYGELKYYXXCA-IACUBPJLSA-N 2 2 346.368 3.358 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361919 1328745514 /nfs/dbraw/zinc/74/55/14/1328745514.db2.gz HUUYGELKYYXXCA-IACUBPJLSA-N 2 2 346.368 3.358 20 0 EGADLP CC(C)[C@H](C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+](C)C ZINC000907815241 1318266538 /nfs/dbraw/zinc/26/65/38/1318266538.db2.gz JWJZCDZNBNGYCK-MAUKXSAKSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)[C@H](C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[NH+](C)C ZINC000907815241 1318266544 /nfs/dbraw/zinc/26/65/44/1318266544.db2.gz JWJZCDZNBNGYCK-MAUKXSAKSA-N 2 2 346.519 3.017 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@H]3C[NH2+]CC3CCC3)ccn12 ZINC000960011257 1318311818 /nfs/dbraw/zinc/31/18/18/1318311818.db2.gz CAAMRZHNUHIJHL-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640984 1318498122 /nfs/dbraw/zinc/49/81/22/1318498122.db2.gz AWOULRMWMCEEIE-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640984 1318498130 /nfs/dbraw/zinc/49/81/30/1318498130.db2.gz AWOULRMWMCEEIE-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001021723436 1318611552 /nfs/dbraw/zinc/61/15/52/1318611552.db2.gz UMHGEDNUBUEHLG-AEFFLSMTSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]21 ZINC001021723436 1318611566 /nfs/dbraw/zinc/61/15/66/1318611566.db2.gz UMHGEDNUBUEHLG-AEFFLSMTSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815128285 1318903190 /nfs/dbraw/zinc/90/31/90/1318903190.db2.gz UYIAXVBWCALVQK-HIFRSBDPSA-N 2 2 337.305 3.380 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000815128285 1318903201 /nfs/dbraw/zinc/90/32/01/1318903201.db2.gz UYIAXVBWCALVQK-HIFRSBDPSA-N 2 2 337.305 3.380 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001022692534 1319070767 /nfs/dbraw/zinc/07/07/67/1319070767.db2.gz MCPADDNOOIARBQ-IXDOHACOSA-N 2 2 344.503 3.037 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000817955561 1319476853 /nfs/dbraw/zinc/47/68/53/1319476853.db2.gz YWMNESYXSOSXKH-DNVCBOLYSA-N 2 2 339.439 3.384 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817972114 1319481186 /nfs/dbraw/zinc/48/11/86/1319481186.db2.gz JWBWGZAJRXKLKP-SJORKVTESA-N 3 2 333.520 3.330 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000818959675 1319590262 /nfs/dbraw/zinc/59/02/62/1319590262.db2.gz QLUNYLQGKWZTDN-BZUAXINKSA-N 2 2 329.271 3.243 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000818959675 1319590269 /nfs/dbraw/zinc/59/02/69/1319590269.db2.gz QLUNYLQGKWZTDN-BZUAXINKSA-N 2 2 329.271 3.243 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000818959677 1319590769 /nfs/dbraw/zinc/59/07/69/1319590769.db2.gz QLUNYLQGKWZTDN-OWCLPIDISA-N 2 2 329.271 3.243 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1Cl ZINC000818959677 1319590774 /nfs/dbraw/zinc/59/07/74/1319590774.db2.gz QLUNYLQGKWZTDN-OWCLPIDISA-N 2 2 329.271 3.243 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819079536 1319629385 /nfs/dbraw/zinc/62/93/85/1319629385.db2.gz VQIUFTOOLVLPRH-CZUORRHYSA-N 2 2 330.394 3.203 20 0 EGADLP Cc1cccc(C[NH2+]CC2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000961989707 1319794390 /nfs/dbraw/zinc/79/43/90/1319794390.db2.gz XEMRFHNMYDHWBT-UHFFFAOYSA-N 2 2 348.450 3.170 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000825901407 1320370366 /nfs/dbraw/zinc/37/03/66/1320370366.db2.gz ZLQADMYMSYEPJI-YLFCFFPRSA-N 2 2 339.524 3.094 20 0 EGADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1OC(=O)CC ZINC000840910925 1321175742 /nfs/dbraw/zinc/17/57/42/1321175742.db2.gz XHBVBYJFFCBQRA-UHFFFAOYSA-N 2 2 348.487 3.317 20 0 EGADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1OC(=O)CC ZINC000840910925 1321175746 /nfs/dbraw/zinc/17/57/46/1321175746.db2.gz XHBVBYJFFCBQRA-UHFFFAOYSA-N 2 2 348.487 3.317 20 0 EGADLP C[C@@H]1C[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC[NH2+]1 ZINC000841022829 1321202368 /nfs/dbraw/zinc/20/23/68/1321202368.db2.gz XZSVERJVBQRLHH-POAQFYNOSA-N 2 2 344.499 3.061 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033146 1321204513 /nfs/dbraw/zinc/20/45/13/1321204513.db2.gz NGXSLZZZOADYGV-QGZVFWFLSA-N 2 2 346.906 3.291 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843047453 1321460919 /nfs/dbraw/zinc/46/09/19/1321460919.db2.gz MXNCRCMOPGBNNK-INIZCTEOSA-N 2 2 332.879 3.064 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843047453 1321460920 /nfs/dbraw/zinc/46/09/20/1321460920.db2.gz MXNCRCMOPGBNNK-INIZCTEOSA-N 2 2 332.879 3.064 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000843115042 1321472312 /nfs/dbraw/zinc/47/23/12/1321472312.db2.gz MHGFYZISFLQFIQ-VQTJNVASSA-N 2 2 348.450 3.012 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000843115042 1321472316 /nfs/dbraw/zinc/47/23/16/1321472316.db2.gz MHGFYZISFLQFIQ-VQTJNVASSA-N 2 2 348.450 3.012 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC000843349309 1321503692 /nfs/dbraw/zinc/50/36/92/1321503692.db2.gz TWEQIVPPTNXSEQ-GFCCVEGCSA-N 2 2 334.407 3.348 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC000843349309 1321503698 /nfs/dbraw/zinc/50/36/98/1321503698.db2.gz TWEQIVPPTNXSEQ-GFCCVEGCSA-N 2 2 334.407 3.348 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH2+][C@@](C)(C[NH3+])C3CC3)c2cc1C(C)C ZINC000843356387 1321504751 /nfs/dbraw/zinc/50/47/51/1321504751.db2.gz VZUOQHKHNYNAMG-FQEVSTJZSA-N 2 2 328.456 3.442 20 0 EGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000843358363 1321506021 /nfs/dbraw/zinc/50/60/21/1321506021.db2.gz MEDZEQIURGGLHU-ZCNNSNEGSA-N 2 2 346.421 3.033 20 0 EGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000843358363 1321506023 /nfs/dbraw/zinc/50/60/23/1321506023.db2.gz MEDZEQIURGGLHU-ZCNNSNEGSA-N 2 2 346.421 3.033 20 0 EGADLP CCc1ccc2c(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc(=O)oc2c1 ZINC000848669149 1321992981 /nfs/dbraw/zinc/99/29/81/1321992981.db2.gz WSRZZWVDDMFOGR-RTBURBONSA-N 2 2 340.467 3.462 20 0 EGADLP CCc1ccc2c(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc(=O)oc2c1 ZINC000848669149 1321992991 /nfs/dbraw/zinc/99/29/91/1321992991.db2.gz WSRZZWVDDMFOGR-RTBURBONSA-N 2 2 340.467 3.462 20 0 EGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000849090814 1322075280 /nfs/dbraw/zinc/07/52/80/1322075280.db2.gz QKTDWHWLWNGJSW-GOSISDBHSA-N 2 2 347.422 3.010 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cccc1F ZINC000920425956 1322176298 /nfs/dbraw/zinc/17/62/98/1322176298.db2.gz VLLXMDKZAPUQAT-QGZVFWFLSA-N 2 2 347.340 3.113 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924593275 1323067205 /nfs/dbraw/zinc/06/72/05/1323067205.db2.gz XDCJTOMATPEUNX-MOPGFXCFSA-N 2 2 329.488 3.388 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924593275 1323067215 /nfs/dbraw/zinc/06/72/15/1323067215.db2.gz XDCJTOMATPEUNX-MOPGFXCFSA-N 2 2 329.488 3.388 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cnn(C)n1 ZINC000924678232 1323108214 /nfs/dbraw/zinc/10/82/14/1323108214.db2.gz AGJQRZUPHOSJJQ-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cnn(C)n1 ZINC000924678232 1323108220 /nfs/dbraw/zinc/10/82/20/1323108220.db2.gz AGJQRZUPHOSJJQ-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(F)n1 ZINC000851932360 1323117811 /nfs/dbraw/zinc/11/78/11/1323117811.db2.gz FVRDSCLCPWWQLO-HOTGVXAUSA-N 2 2 327.447 3.467 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924715506 1323129690 /nfs/dbraw/zinc/12/96/90/1323129690.db2.gz VNMKVPYPGHZKRS-MOPGFXCFSA-N 2 2 335.536 3.020 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000924715506 1323129692 /nfs/dbraw/zinc/12/96/92/1323129692.db2.gz VNMKVPYPGHZKRS-MOPGFXCFSA-N 2 2 335.536 3.020 20 0 EGADLP O[C@H](C[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1)C[NH+]1CCCC1 ZINC000924754837 1323146969 /nfs/dbraw/zinc/14/69/69/1323146969.db2.gz HKRKHYZOPBYGJV-MJGOQNOKSA-N 2 2 348.874 3.263 20 0 EGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000924845692 1323185596 /nfs/dbraw/zinc/18/55/96/1323185596.db2.gz HPJDCWAUQGHAHM-MRXNPFEDSA-N 2 2 327.476 3.182 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000924851866 1323188282 /nfs/dbraw/zinc/18/82/82/1323188282.db2.gz SFCVCOAUAVQXSH-GUXCAODWSA-N 2 2 349.494 3.101 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226733 1324014704 /nfs/dbraw/zinc/01/47/04/1324014704.db2.gz KYUNKZCSJDMMNN-MSOLQXFVSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025226733 1324014714 /nfs/dbraw/zinc/01/47/14/1324014714.db2.gz KYUNKZCSJDMMNN-MSOLQXFVSA-N 2 2 344.503 3.154 20 0 EGADLP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233184 1324020329 /nfs/dbraw/zinc/02/03/29/1324020329.db2.gz VGVNRXRNRKDEJC-ROUUACIJSA-N 2 2 340.471 3.122 20 0 EGADLP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233184 1324020335 /nfs/dbraw/zinc/02/03/35/1324020335.db2.gz VGVNRXRNRKDEJC-ROUUACIJSA-N 2 2 340.471 3.122 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000860030153 1329130638 /nfs/dbraw/zinc/13/06/38/1329130638.db2.gz KEUXENOPUIWHJC-AWEZNQCLSA-N 2 2 335.319 3.147 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000931726511 1329172606 /nfs/dbraw/zinc/17/26/06/1329172606.db2.gz HOWGSCYKTSAJDG-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000931726511 1329172611 /nfs/dbraw/zinc/17/26/11/1329172611.db2.gz HOWGSCYKTSAJDG-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000931726511 1329172613 /nfs/dbraw/zinc/17/26/13/1329172613.db2.gz HOWGSCYKTSAJDG-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000931726511 1329172617 /nfs/dbraw/zinc/17/26/17/1329172617.db2.gz HOWGSCYKTSAJDG-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP CC1(C)CCC(C[NH2+]C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001026568367 1324901759 /nfs/dbraw/zinc/90/17/59/1324901759.db2.gz DGGWFKJHFGXVGW-UHFFFAOYSA-N 2 2 346.519 3.186 20 0 EGADLP CC1(C)CC(C[NH2+]C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001026920283 1325082935 /nfs/dbraw/zinc/08/29/35/1325082935.db2.gz YRCPMYXOTQCJQS-AWEZNQCLSA-N 2 2 340.471 3.051 20 0 EGADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cnc(F)cn3)cc2)CC1 ZINC000853361081 1325085403 /nfs/dbraw/zinc/08/54/03/1325085403.db2.gz LYAVYQWNHVJQJR-UHFFFAOYSA-N 2 2 329.423 3.137 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386783 1325186670 /nfs/dbraw/zinc/18/66/70/1325186670.db2.gz RDCPLIHWMCJHQR-IAGOWNOFSA-N 2 2 346.519 3.190 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386783 1325186676 /nfs/dbraw/zinc/18/66/76/1325186676.db2.gz RDCPLIHWMCJHQR-IAGOWNOFSA-N 2 2 346.519 3.190 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386785 1325186802 /nfs/dbraw/zinc/18/68/02/1325186802.db2.gz RDCPLIHWMCJHQR-SJORKVTESA-N 2 2 346.519 3.190 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963386785 1325186810 /nfs/dbraw/zinc/18/68/10/1325186810.db2.gz RDCPLIHWMCJHQR-SJORKVTESA-N 2 2 346.519 3.190 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000925532323 1325193877 /nfs/dbraw/zinc/19/38/77/1325193877.db2.gz QPMFEQKMFBAOAL-VQIMIIECSA-N 2 2 334.467 3.315 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)ccc1OC(C)C ZINC000925536593 1325196745 /nfs/dbraw/zinc/19/67/45/1325196745.db2.gz FZARHHVIGPDNHS-PDTRWMKNSA-N 2 2 330.472 3.129 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1SC(C)(C)C ZINC000854231457 1325232855 /nfs/dbraw/zinc/23/28/55/1325232855.db2.gz DJJUTFNSAYUKQA-GFCCVEGCSA-N 2 2 346.500 3.382 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cnc2ccsc2c1 ZINC000925798735 1325306653 /nfs/dbraw/zinc/30/66/53/1325306653.db2.gz RZDPJKWQLGAFLC-HIFRSBDPSA-N 2 2 331.485 3.106 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515168 1327786726 /nfs/dbraw/zinc/78/67/26/1327786726.db2.gz VYTOGSVGKOCYOA-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515168 1327786732 /nfs/dbraw/zinc/78/67/32/1327786732.db2.gz VYTOGSVGKOCYOA-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000927065560 1327837268 /nfs/dbraw/zinc/83/72/68/1327837268.db2.gz GENLCTROHBZRRZ-CTNGQTDRSA-N 2 2 344.499 3.379 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC001027664115 1328054643 /nfs/dbraw/zinc/05/46/43/1328054643.db2.gz PVTOVLHNPVZKLA-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001027664115 1328054648 /nfs/dbraw/zinc/05/46/48/1328054648.db2.gz PVTOVLHNPVZKLA-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CC(C)C[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)n1cc[nH+]c1 ZINC000928004925 1328167682 /nfs/dbraw/zinc/16/76/82/1328167682.db2.gz JBYZANYDYUBZNI-QPIRBTGLSA-N 2 2 346.519 3.384 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108825 1328188623 /nfs/dbraw/zinc/18/86/23/1328188623.db2.gz YIPJOZWRUYIVQC-YJBOKZPZSA-N 2 2 340.471 3.049 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000966108825 1328188628 /nfs/dbraw/zinc/18/86/28/1328188628.db2.gz YIPJOZWRUYIVQC-YJBOKZPZSA-N 2 2 340.471 3.049 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[N@H+](CCC(C)C)CC[C@H]3C)ccn12 ZINC000966133630 1328200924 /nfs/dbraw/zinc/20/09/24/1328200924.db2.gz OKOZIBADLKXVPR-QAPCUYQASA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[N@@H+](CCC(C)C)CC[C@H]3C)ccn12 ZINC000966133630 1328200928 /nfs/dbraw/zinc/20/09/28/1328200928.db2.gz OKOZIBADLKXVPR-QAPCUYQASA-N 2 2 342.487 3.129 20 0 EGADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000863566906 1329563492 /nfs/dbraw/zinc/56/34/92/1329563492.db2.gz TUOXEBAHLCACKD-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000863566906 1329563494 /nfs/dbraw/zinc/56/34/94/1329563494.db2.gz TUOXEBAHLCACKD-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP CC(C)(C)OC(=O)NCc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000865398866 1329691554 /nfs/dbraw/zinc/69/15/54/1329691554.db2.gz BTKCRIZYEPCYGR-UHFFFAOYSA-N 2 2 344.459 3.088 20 0 EGADLP c1ccc(CNc2cc(N3CC[C@H](C[NH+]4CCCC4)C3)nc[nH+]2)cc1 ZINC000865550891 1329712656 /nfs/dbraw/zinc/71/26/56/1329712656.db2.gz NPEYNOMFAFJJSV-GOSISDBHSA-N 2 2 337.471 3.011 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802449 1329841844 /nfs/dbraw/zinc/84/18/44/1329841844.db2.gz UMXKKPRSSFLEMK-CVEARBPZSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802449 1329841846 /nfs/dbraw/zinc/84/18/46/1329841846.db2.gz UMXKKPRSSFLEMK-CVEARBPZSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933814456 1329925461 /nfs/dbraw/zinc/92/54/61/1329925461.db2.gz MQNYRXRXVARVGC-KRWDZBQOSA-N 2 2 348.450 3.157 20 0 EGADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933814456 1329925463 /nfs/dbraw/zinc/92/54/63/1329925463.db2.gz MQNYRXRXVARVGC-KRWDZBQOSA-N 2 2 348.450 3.157 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180813 1331863887 /nfs/dbraw/zinc/86/38/87/1331863887.db2.gz KPNNZKPFLUKIBE-CRAIPNDOSA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180813 1331863889 /nfs/dbraw/zinc/86/38/89/1331863889.db2.gz KPNNZKPFLUKIBE-CRAIPNDOSA-N 2 2 348.535 3.189 20 0 EGADLP CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642277 1332868928 /nfs/dbraw/zinc/86/89/28/1332868928.db2.gz CFQZQSDTQPWPPQ-IYBDPMFKSA-N 2 2 340.471 3.147 20 0 EGADLP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642277 1332868932 /nfs/dbraw/zinc/86/89/32/1332868932.db2.gz CFQZQSDTQPWPPQ-IYBDPMFKSA-N 2 2 340.471 3.147 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314942 1333085638 /nfs/dbraw/zinc/08/56/38/1333085638.db2.gz KLWLAHFXFOQLEE-YOEHRIQHSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314942 1333085642 /nfs/dbraw/zinc/08/56/42/1333085642.db2.gz KLWLAHFXFOQLEE-YOEHRIQHSA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314941 1333085877 /nfs/dbraw/zinc/08/58/77/1333085877.db2.gz KLWLAHFXFOQLEE-WMLDXEAASA-N 2 2 328.460 3.026 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000947314941 1333085882 /nfs/dbraw/zinc/08/58/82/1333085882.db2.gz KLWLAHFXFOQLEE-WMLDXEAASA-N 2 2 328.460 3.026 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)[C@@H](C)C2)c[nH+]1 ZINC000947442363 1333128977 /nfs/dbraw/zinc/12/89/77/1333128977.db2.gz USNUDRJMCNERCN-IRXDYDNUSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H](C)C2)c[nH+]1 ZINC000947442363 1333128981 /nfs/dbraw/zinc/12/89/81/1333128981.db2.gz USNUDRJMCNERCN-IRXDYDNUSA-N 2 2 348.535 3.332 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572111 1333176592 /nfs/dbraw/zinc/17/65/92/1333176592.db2.gz KSFGLMTZYTVSQQ-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572111 1333176593 /nfs/dbraw/zinc/17/65/93/1333176593.db2.gz KSFGLMTZYTVSQQ-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554380 1333573112 /nfs/dbraw/zinc/57/31/12/1333573112.db2.gz VCXAMXUXDTZNQB-GDBMZVCRSA-N 2 2 346.450 3.238 20 0 EGADLP C[C@@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554380 1333573114 /nfs/dbraw/zinc/57/31/14/1333573114.db2.gz VCXAMXUXDTZNQB-GDBMZVCRSA-N 2 2 346.450 3.238 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948554178 1333573185 /nfs/dbraw/zinc/57/31/85/1333573185.db2.gz RPIAUHYKTVTOID-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948554178 1333573188 /nfs/dbraw/zinc/57/31/88/1333573188.db2.gz RPIAUHYKTVTOID-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCC4CCCC4)C3)ccn12 ZINC000968671115 1336004241 /nfs/dbraw/zinc/00/42/41/1336004241.db2.gz XTVOEVJOIUJJPW-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969024098 1336120782 /nfs/dbraw/zinc/12/07/82/1336120782.db2.gz YQUDWAURRPNMEH-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969024098 1336120786 /nfs/dbraw/zinc/12/07/86/1336120786.db2.gz YQUDWAURRPNMEH-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005981422 1336434050 /nfs/dbraw/zinc/43/40/50/1336434050.db2.gz SGGDFFADUVMZBY-QGZVFWFLSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642181 1336682404 /nfs/dbraw/zinc/68/24/04/1336682404.db2.gz SRXGBFHMUOEUTG-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001007642181 1336682407 /nfs/dbraw/zinc/68/24/07/1336682407.db2.gz SRXGBFHMUOEUTG-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Br)cc1F ZINC001205912717 1370908080 /nfs/dbraw/zinc/90/80/80/1370908080.db2.gz BTTNTLJDRVVWFW-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(Br)cc1F ZINC001205912717 1370908085 /nfs/dbraw/zinc/90/80/85/1370908085.db2.gz BTTNTLJDRVVWFW-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009074683 1336963464 /nfs/dbraw/zinc/96/34/64/1336963464.db2.gz NYWFWDUKUCPUNH-GOSISDBHSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009074683 1336963467 /nfs/dbraw/zinc/96/34/67/1336963467.db2.gz NYWFWDUKUCPUNH-GOSISDBHSA-N 2 2 338.455 3.033 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939298 1337960668 /nfs/dbraw/zinc/96/06/68/1337960668.db2.gz CLDPCWCVRJGEEP-CRAIPNDOSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939298 1337960670 /nfs/dbraw/zinc/96/06/70/1337960670.db2.gz CLDPCWCVRJGEEP-CRAIPNDOSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC23CC[NH+](CC(C)C)CC3)c(C)[nH+]1 ZINC001016742957 1338709653 /nfs/dbraw/zinc/70/96/53/1338709653.db2.gz NEOUTPKYNXHPNJ-QGZVFWFLSA-N 2 2 329.488 3.247 20 0 EGADLP CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001029163469 1340946078 /nfs/dbraw/zinc/94/60/78/1340946078.db2.gz MRSCCYIPUGSALI-INIZCTEOSA-N 2 2 340.471 3.111 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029768534 1341067667 /nfs/dbraw/zinc/06/76/67/1341067667.db2.gz DMJBVSOCDDMQEL-KRWDZBQOSA-N 2 2 348.450 3.157 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001029768534 1341067669 /nfs/dbraw/zinc/06/76/69/1341067669.db2.gz DMJBVSOCDDMQEL-KRWDZBQOSA-N 2 2 348.450 3.157 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001031237279 1341301798 /nfs/dbraw/zinc/30/17/98/1341301798.db2.gz YDSBTOWNEWYWKK-PXNSSMCTSA-N 2 2 343.515 3.203 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001031237279 1341301799 /nfs/dbraw/zinc/30/17/99/1341301799.db2.gz YDSBTOWNEWYWKK-PXNSSMCTSA-N 2 2 343.515 3.203 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001032477806 1341519760 /nfs/dbraw/zinc/51/97/60/1341519760.db2.gz SHSCGXFCIULFBM-IRXDYDNUSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032477806 1341519762 /nfs/dbraw/zinc/51/97/62/1341519762.db2.gz SHSCGXFCIULFBM-IRXDYDNUSA-N 2 2 338.455 3.042 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033190609 1341748122 /nfs/dbraw/zinc/74/81/22/1341748122.db2.gz CHMAQSKXBDSJRJ-OAHLLOKOSA-N 2 2 328.460 3.145 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033190609 1341748123 /nfs/dbraw/zinc/74/81/23/1341748123.db2.gz CHMAQSKXBDSJRJ-OAHLLOKOSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033304380 1341774637 /nfs/dbraw/zinc/77/46/37/1341774637.db2.gz NKBCWRAFWSJBIA-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033304380 1341774638 /nfs/dbraw/zinc/77/46/38/1341774638.db2.gz NKBCWRAFWSJBIA-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001033617981 1341905394 /nfs/dbraw/zinc/90/53/94/1341905394.db2.gz CONTWAQYSGERJU-KRWDZBQOSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001033617981 1341905398 /nfs/dbraw/zinc/90/53/98/1341905398.db2.gz CONTWAQYSGERJU-KRWDZBQOSA-N 2 2 346.519 3.010 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001034973744 1342859597 /nfs/dbraw/zinc/85/95/97/1342859597.db2.gz BKJMCAWULPEZLR-OAHLLOKOSA-N 2 2 340.452 3.019 20 0 EGADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036314102 1343414653 /nfs/dbraw/zinc/41/46/53/1343414653.db2.gz MJWHLIPMPNMJTK-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001036434068 1343485058 /nfs/dbraw/zinc/48/50/58/1343485058.db2.gz RURZMXIKSAJWET-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036544268 1343546785 /nfs/dbraw/zinc/54/67/85/1343546785.db2.gz DAMRVZWOPUJGCX-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039279078 1344994428 /nfs/dbraw/zinc/99/44/28/1344994428.db2.gz GQXOOOXOJLEVTI-MQVJKMGUSA-N 2 2 326.444 3.087 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423142 1345490111 /nfs/dbraw/zinc/49/01/11/1345490111.db2.gz CQWAUZWONLNQLL-UYAOXDASSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040423142 1345490114 /nfs/dbraw/zinc/49/01/14/1345490114.db2.gz CQWAUZWONLNQLL-UYAOXDASSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646494 1346391727 /nfs/dbraw/zinc/39/17/27/1346391727.db2.gz BNNXDBGARMSHQS-QAPCUYQASA-N 2 2 348.450 3.346 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553218 1347905479 /nfs/dbraw/zinc/90/54/79/1347905479.db2.gz UDTSOVVJRFTQSE-ROUUACIJSA-N 2 2 326.444 3.042 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553218 1347905482 /nfs/dbraw/zinc/90/54/82/1347905482.db2.gz UDTSOVVJRFTQSE-ROUUACIJSA-N 2 2 326.444 3.042 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052462024 1348547204 /nfs/dbraw/zinc/54/72/04/1348547204.db2.gz FJVMTUBCPNHGMH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052462024 1348547206 /nfs/dbraw/zinc/54/72/06/1348547206.db2.gz FJVMTUBCPNHGMH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052462024 1348547208 /nfs/dbraw/zinc/54/72/08/1348547208.db2.gz FJVMTUBCPNHGMH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052462024 1348547210 /nfs/dbraw/zinc/54/72/10/1348547210.db2.gz FJVMTUBCPNHGMH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052750760 1348661240 /nfs/dbraw/zinc/66/12/40/1348661240.db2.gz MDCSEROHHRCRSF-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052750760 1348661245 /nfs/dbraw/zinc/66/12/45/1348661245.db2.gz MDCSEROHHRCRSF-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032017 1348831966 /nfs/dbraw/zinc/83/19/66/1348831966.db2.gz MSVJWBXLBXBHCI-HZPDHXFCSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032017 1348831968 /nfs/dbraw/zinc/83/19/68/1348831968.db2.gz MSVJWBXLBXBHCI-HZPDHXFCSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098011 1348929526 /nfs/dbraw/zinc/92/95/26/1348929526.db2.gz JDTNNFXAGRKGTD-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098011 1348929529 /nfs/dbraw/zinc/92/95/29/1348929529.db2.gz JDTNNFXAGRKGTD-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001054922077 1349514603 /nfs/dbraw/zinc/51/46/03/1349514603.db2.gz HXECUTIXHIYAMG-BEFAXECRSA-N 2 2 337.467 3.257 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001054922573 1349515263 /nfs/dbraw/zinc/51/52/63/1349515263.db2.gz ONDIHLPTTAJDRD-KBXCAEBGSA-N 2 2 329.488 3.247 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183176379 1387272040 /nfs/dbraw/zinc/27/20/40/1387272040.db2.gz MKQSCNCUGZEERT-APJIANLZSA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001074041133 1356048285 /nfs/dbraw/zinc/04/82/85/1356048285.db2.gz ZCKIYKQSGDJUIE-LJQANCHMSA-N 2 2 340.471 3.207 20 0 EGADLP CC(C)[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001074041133 1356048287 /nfs/dbraw/zinc/04/82/87/1356048287.db2.gz ZCKIYKQSGDJUIE-LJQANCHMSA-N 2 2 340.471 3.207 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001074073120 1356067837 /nfs/dbraw/zinc/06/78/37/1356067837.db2.gz KREJOJVTCYFKJX-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1)n1cc[nH+]c1 ZINC001074073120 1356067840 /nfs/dbraw/zinc/06/78/40/1356067840.db2.gz KREJOJVTCYFKJX-PKOBYXMFSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C)c1ccccc1 ZINC001074742736 1356230335 /nfs/dbraw/zinc/23/03/35/1356230335.db2.gz ZIJBZYNRSQJDHJ-RYRKJORJSA-N 2 2 348.450 3.288 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325765 1363751617 /nfs/dbraw/zinc/75/16/17/1363751617.db2.gz XOUAQKMIYOMHRI-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325765 1363751620 /nfs/dbraw/zinc/75/16/20/1363751620.db2.gz XOUAQKMIYOMHRI-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001082771745 1358089921 /nfs/dbraw/zinc/08/99/21/1358089921.db2.gz OZAMRMUUVOIMBP-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452629 1358217184 /nfs/dbraw/zinc/21/71/84/1358217184.db2.gz OQAAWAAHFUDXPS-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001084452629 1358217188 /nfs/dbraw/zinc/21/71/88/1358217188.db2.gz OQAAWAAHFUDXPS-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)[C@@H]1C[N@H+](C)CCN1C ZINC001183920049 1387370667 /nfs/dbraw/zinc/37/06/67/1387370667.db2.gz UDTGTZWQNXSDMP-WJMWBRGCSA-N 2 2 329.532 3.327 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1)[C@@H]1C[N@@H+](C)CCN1C ZINC001183920049 1387370669 /nfs/dbraw/zinc/37/06/69/1387370669.db2.gz UDTGTZWQNXSDMP-WJMWBRGCSA-N 2 2 329.532 3.327 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720282 1359610470 /nfs/dbraw/zinc/61/04/70/1359610470.db2.gz LWVCNGMIROAIBK-XYJFISCASA-N 2 2 346.519 3.235 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1CC ZINC001087720282 1359610473 /nfs/dbraw/zinc/61/04/73/1359610473.db2.gz LWVCNGMIROAIBK-XYJFISCASA-N 2 2 346.519 3.235 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001088346205 1359833772 /nfs/dbraw/zinc/83/37/72/1359833772.db2.gz JHCNYDYVLZTUJV-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CC2=CCCCC2)C1 ZINC001089505978 1360478413 /nfs/dbraw/zinc/47/84/13/1360478413.db2.gz IZNLSYGIBCAQFR-QGZVFWFLSA-N 2 2 344.503 3.059 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CC2=CCCCC2)C1 ZINC001089505978 1360478414 /nfs/dbraw/zinc/47/84/14/1360478414.db2.gz IZNLSYGIBCAQFR-QGZVFWFLSA-N 2 2 344.503 3.059 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CCC2CCCC2)C1 ZINC001089528430 1360491517 /nfs/dbraw/zinc/49/15/17/1360491517.db2.gz KFXYLPDTKNJTPK-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CCC2CCCC2)C1 ZINC001089528430 1360491520 /nfs/dbraw/zinc/49/15/20/1360491520.db2.gz KFXYLPDTKNJTPK-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184533582 1387485813 /nfs/dbraw/zinc/48/58/13/1387485813.db2.gz GZJRXMRHFGASRU-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184533582 1387485815 /nfs/dbraw/zinc/48/58/15/1387485815.db2.gz GZJRXMRHFGASRU-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP CCC[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098822277 1363482655 /nfs/dbraw/zinc/48/26/55/1363482655.db2.gz YFOHHGGEAFNLIO-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252029 1363715163 /nfs/dbraw/zinc/71/51/63/1363715163.db2.gz QKNBZXIQCHQCKL-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252029 1363715166 /nfs/dbraw/zinc/71/51/66/1363715166.db2.gz QKNBZXIQCHQCKL-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001100332027 1364081810 /nfs/dbraw/zinc/08/18/10/1364081810.db2.gz VBOKCJKOQMJSBQ-SNAWJCMRSA-N 2 2 340.471 3.097 20 0 EGADLP CC1(C)CCC(C[NH2+]C2CC(CNC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001100391277 1364099560 /nfs/dbraw/zinc/09/95/60/1364099560.db2.gz DMXDBEVNYATQQS-UHFFFAOYSA-N 2 2 346.519 3.043 20 0 EGADLP CC1(C)CCC(C[NH2+]C2CC(CNC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001100391277 1364099565 /nfs/dbraw/zinc/09/95/65/1364099565.db2.gz DMXDBEVNYATQQS-UHFFFAOYSA-N 2 2 346.519 3.043 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101377335 1364535043 /nfs/dbraw/zinc/53/50/43/1364535043.db2.gz ZAPQKTWONOHYEC-NSHGMRRFSA-N 2 2 346.519 3.195 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101377335 1364535047 /nfs/dbraw/zinc/53/50/47/1364535047.db2.gz ZAPQKTWONOHYEC-NSHGMRRFSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001101590286 1364641326 /nfs/dbraw/zinc/64/13/26/1364641326.db2.gz JCJAVURBGMVCQM-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185491926 1387730485 /nfs/dbraw/zinc/73/04/85/1387730485.db2.gz JRFUBOZRLOFKLB-IAGOWNOFSA-N 2 2 348.535 3.342 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103118586 1365392453 /nfs/dbraw/zinc/39/24/53/1365392453.db2.gz GUQQOSCDGSGYQF-GUDVDZBRSA-N 2 2 348.535 3.201 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103118586 1365392455 /nfs/dbraw/zinc/39/24/55/1365392455.db2.gz GUQQOSCDGSGYQF-GUDVDZBRSA-N 2 2 348.535 3.201 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103118587 1365392830 /nfs/dbraw/zinc/39/28/30/1365392830.db2.gz GUQQOSCDGSGYQF-QRVBRYPASA-N 2 2 348.535 3.201 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001103118587 1365392833 /nfs/dbraw/zinc/39/28/33/1365392833.db2.gz GUQQOSCDGSGYQF-QRVBRYPASA-N 2 2 348.535 3.201 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425822 1365552937 /nfs/dbraw/zinc/55/29/37/1365552937.db2.gz QUPRDNYQPJNQJC-BRWVUGGUSA-N 2 2 346.519 3.094 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425822 1365552938 /nfs/dbraw/zinc/55/29/38/1365552938.db2.gz QUPRDNYQPJNQJC-BRWVUGGUSA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479821 1365587210 /nfs/dbraw/zinc/58/72/10/1365587210.db2.gz UVTMTCHPTKTHQU-ZHALLVOQSA-N 2 2 348.535 3.345 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479821 1365587213 /nfs/dbraw/zinc/58/72/13/1365587213.db2.gz UVTMTCHPTKTHQU-ZHALLVOQSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)=CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566220 1366534272 /nfs/dbraw/zinc/53/42/72/1366534272.db2.gz GVLOLEJDTWTXTA-GOSISDBHSA-N 2 2 344.503 3.059 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001106130788 1366613349 /nfs/dbraw/zinc/61/33/49/1366613349.db2.gz DBHFIQJBPREOIE-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106319228 1366652078 /nfs/dbraw/zinc/65/20/78/1366652078.db2.gz ZSFNUJVPSUAIRH-NVXWUHKLSA-N 2 2 342.487 3.297 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106748351 1366787714 /nfs/dbraw/zinc/78/77/14/1366787714.db2.gz VFOIAZYFYKTUBI-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106748351 1366787716 /nfs/dbraw/zinc/78/77/16/1366787716.db2.gz VFOIAZYFYKTUBI-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001109385927 1367099010 /nfs/dbraw/zinc/09/90/10/1367099010.db2.gz CZXFDJSISUULOW-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001109385927 1367099015 /nfs/dbraw/zinc/09/90/15/1367099015.db2.gz CZXFDJSISUULOW-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001109385927 1367099021 /nfs/dbraw/zinc/09/90/21/1367099021.db2.gz CZXFDJSISUULOW-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001109385927 1367099025 /nfs/dbraw/zinc/09/90/25/1367099025.db2.gz CZXFDJSISUULOW-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816384 1367358324 /nfs/dbraw/zinc/35/83/24/1367358324.db2.gz CNLPDFHQNJAEKZ-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816384 1367358328 /nfs/dbraw/zinc/35/83/28/1367358328.db2.gz CNLPDFHQNJAEKZ-QZTJIDSGSA-N 2 2 334.508 3.193 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900493 1367378318 /nfs/dbraw/zinc/37/83/18/1367378318.db2.gz QEWMAXJSFVJMGS-GFOMBABLSA-N 2 2 346.519 3.206 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001190900493 1367378321 /nfs/dbraw/zinc/37/83/21/1367378321.db2.gz QEWMAXJSFVJMGS-GFOMBABLSA-N 2 2 346.519 3.206 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935728 1367385534 /nfs/dbraw/zinc/38/55/34/1367385534.db2.gz VHTMOABYKMFYHT-NVXWUHKLSA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935728 1367385540 /nfs/dbraw/zinc/38/55/40/1367385540.db2.gz VHTMOABYKMFYHT-NVXWUHKLSA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108836458 1367627740 /nfs/dbraw/zinc/62/77/40/1367627740.db2.gz VAAPYSIYYLDVLB-KSZLIROESA-N 2 2 346.519 3.069 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717964 1367946092 /nfs/dbraw/zinc/94/60/92/1367946092.db2.gz QUWUOQAESBAEDD-KYJSFNMBSA-N 2 2 326.444 3.088 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717964 1367946095 /nfs/dbraw/zinc/94/60/95/1367946095.db2.gz QUWUOQAESBAEDD-KYJSFNMBSA-N 2 2 326.444 3.088 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2)n1cc[nH+]c1 ZINC001111784311 1368460065 /nfs/dbraw/zinc/46/00/65/1368460065.db2.gz DNSSRXIIVLMLLL-NSHGMRRFSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)C)C2)n1cc[nH+]c1 ZINC001111784311 1368460069 /nfs/dbraw/zinc/46/00/69/1368460069.db2.gz DNSSRXIIVLMLLL-NSHGMRRFSA-N 2 2 346.519 3.097 20 0 EGADLP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784471 1368460188 /nfs/dbraw/zinc/46/01/88/1368460188.db2.gz LNGNLIVDFBSTNF-NSHGMRRFSA-N 2 2 346.519 3.241 20 0 EGADLP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784471 1368460191 /nfs/dbraw/zinc/46/01/91/1368460191.db2.gz LNGNLIVDFBSTNF-NSHGMRRFSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1)n1cc[nH+]c1 ZINC001112418267 1368834650 /nfs/dbraw/zinc/83/46/50/1368834650.db2.gz QWQIXNRJMFKSRL-BJLQDIEVSA-N 2 2 346.519 3.097 20 0 EGADLP C[C@H]1CCCCN(C(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)C1 ZINC001198018434 1368944128 /nfs/dbraw/zinc/94/41/28/1368944128.db2.gz QLISYKJPQOLMHR-SFHVURJKSA-N 2 2 345.531 3.332 20 0 EGADLP C[C@H]1CCCCN(C(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)C1 ZINC001198018434 1368944133 /nfs/dbraw/zinc/94/41/33/1368944133.db2.gz QLISYKJPQOLMHR-SFHVURJKSA-N 2 2 345.531 3.332 20 0 EGADLP CC[C@@H](O)C[NH2+][C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001198271968 1368995293 /nfs/dbraw/zinc/99/52/93/1368995293.db2.gz ZJUUDQGKPGYQNL-BHIFYINESA-N 2 2 338.495 3.405 20 0 EGADLP CC[C@@H](O)C[NH2+][C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001198271968 1368995298 /nfs/dbraw/zinc/99/52/98/1368995298.db2.gz ZJUUDQGKPGYQNL-BHIFYINESA-N 2 2 338.495 3.405 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001112865115 1369056163 /nfs/dbraw/zinc/05/61/63/1369056163.db2.gz UJIDYNHEMODQJM-JTHGQSKGSA-N 2 2 346.519 3.287 20 0 EGADLP CC/C=C/CC[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200570349 1369391493 /nfs/dbraw/zinc/39/14/93/1369391493.db2.gz AYKWHOZCPOCZQU-SNAWJCMRSA-N 2 2 340.471 3.193 20 0 EGADLP CCC(CC)C[NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001200571510 1369391569 /nfs/dbraw/zinc/39/15/69/1369391569.db2.gz XWHASONHCKXWBZ-UHFFFAOYSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)CCC[NH+]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC001113523183 1369476484 /nfs/dbraw/zinc/47/64/84/1369476484.db2.gz ZFVQQUWKKNTWEY-OAQYLSRUSA-N 2 2 345.531 3.044 20 0 EGADLP CCc1[nH]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC001203234720 1370034922 /nfs/dbraw/zinc/03/49/22/1370034922.db2.gz OVFYSESVAKOCAO-CVEARBPZSA-N 2 2 326.488 3.375 20 0 EGADLP CCc1[nH]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC001203234720 1370034927 /nfs/dbraw/zinc/03/49/27/1370034927.db2.gz OVFYSESVAKOCAO-CVEARBPZSA-N 2 2 326.488 3.375 20 0 EGADLP CC[NH+](CC)CCn1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC001203259532 1370046277 /nfs/dbraw/zinc/04/62/77/1370046277.db2.gz FJFGQTRBZBNBKO-UHFFFAOYSA-N 2 2 338.459 3.213 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001204270350 1370428248 /nfs/dbraw/zinc/42/82/48/1370428248.db2.gz STQVDTMYXYMZPX-UHFFFAOYSA-N 3 2 342.487 3.051 20 0 EGADLP Cn1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204315119 1370440949 /nfs/dbraw/zinc/44/09/49/1370440949.db2.gz SAVKKQCGSDKPBQ-HDICACEKSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204315119 1370440950 /nfs/dbraw/zinc/44/09/50/1370440950.db2.gz SAVKKQCGSDKPBQ-HDICACEKSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204315119 1370440953 /nfs/dbraw/zinc/44/09/53/1370440953.db2.gz SAVKKQCGSDKPBQ-HDICACEKSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204315119 1370440954 /nfs/dbraw/zinc/44/09/54/1370440954.db2.gz SAVKKQCGSDKPBQ-HDICACEKSA-N 2 2 346.478 3.137 20 0 EGADLP Cc1cn2cc(Nc3cccc(CN4CC[NH+](C)CC4)c3)ccc2[nH+]1 ZINC001204503528 1370495720 /nfs/dbraw/zinc/49/57/20/1370495720.db2.gz RTJBGGFVSXBPSP-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP Cc1cn2cc(Nc3cccc(C[NH+]4CCN(C)CC4)c3)ccc2[nH+]1 ZINC001204503528 1370495726 /nfs/dbraw/zinc/49/57/26/1370495726.db2.gz RTJBGGFVSXBPSP-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCCF)CCCCC3)ccn12 ZINC001115538442 1370535362 /nfs/dbraw/zinc/53/53/62/1370535362.db2.gz IQJMDNDWIMLODR-UHFFFAOYSA-N 2 2 346.450 3.025 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115567148 1370568060 /nfs/dbraw/zinc/56/80/60/1370568060.db2.gz RGDWPMQHNXSUOH-QGZVFWFLSA-N 2 2 348.535 3.433 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115567148 1370568063 /nfs/dbraw/zinc/56/80/63/1370568063.db2.gz RGDWPMQHNXSUOH-QGZVFWFLSA-N 2 2 348.535 3.433 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115641727 1370633141 /nfs/dbraw/zinc/63/31/41/1370633141.db2.gz GOGRRNBBUJTBKE-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001205119234 1370655724 /nfs/dbraw/zinc/65/57/24/1370655724.db2.gz PJSYVCBSFBZFRO-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CCOc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124319 1370657638 /nfs/dbraw/zinc/65/76/38/1370657638.db2.gz OBSDLMVEKXESLI-CQSZACIVSA-N 2 2 341.293 3.469 20 0 EGADLP CCOc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205124319 1370657641 /nfs/dbraw/zinc/65/76/41/1370657641.db2.gz OBSDLMVEKXESLI-CQSZACIVSA-N 2 2 341.293 3.469 20 0 EGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001205411950 1370747843 /nfs/dbraw/zinc/74/78/43/1370747843.db2.gz STTUULMLBKFQSV-WOJBJXKFSA-N 2 2 348.531 3.318 20 0 EGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001205411950 1370747845 /nfs/dbraw/zinc/74/78/45/1370747845.db2.gz STTUULMLBKFQSV-WOJBJXKFSA-N 2 2 348.531 3.318 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115766081 1370751212 /nfs/dbraw/zinc/75/12/12/1370751212.db2.gz UNMDLWLWVYDHFR-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CC2CCCC2)CCCCC1 ZINC001115766081 1370751214 /nfs/dbraw/zinc/75/12/14/1370751214.db2.gz UNMDLWLWVYDHFR-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001205542276 1370786047 /nfs/dbraw/zinc/78/60/47/1370786047.db2.gz YBRNTOHDMFZSTQ-INIZCTEOSA-N 2 2 332.488 3.448 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001205542276 1370786050 /nfs/dbraw/zinc/78/60/50/1370786050.db2.gz YBRNTOHDMFZSTQ-INIZCTEOSA-N 2 2 332.488 3.448 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205635421 1370820959 /nfs/dbraw/zinc/82/09/59/1370820959.db2.gz AEZQWHOZVKVLAT-ZYHUDNBSSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205635421 1370820964 /nfs/dbraw/zinc/82/09/64/1370820964.db2.gz AEZQWHOZVKVLAT-ZYHUDNBSSA-N 2 2 345.256 3.101 20 0 EGADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(-c3ccccc3)ncc2Cl)C1 ZINC001205736129 1370855401 /nfs/dbraw/zinc/85/54/01/1370855401.db2.gz VJUTXNCWKZGBEY-LJQANCHMSA-N 2 2 345.874 3.078 20 0 EGADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(-c3ccccc3)ncc2Cl)C1 ZINC001205736129 1370855409 /nfs/dbraw/zinc/85/54/09/1370855409.db2.gz VJUTXNCWKZGBEY-LJQANCHMSA-N 2 2 345.874 3.078 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@H]1F ZINC001206185332 1370985940 /nfs/dbraw/zinc/98/59/40/1370985940.db2.gz MUASQLWHMNFCJC-NEPJUHHUSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@H]1F ZINC001206185332 1370985943 /nfs/dbraw/zinc/98/59/43/1370985943.db2.gz MUASQLWHMNFCJC-NEPJUHHUSA-N 2 2 340.748 3.500 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206209417 1370993334 /nfs/dbraw/zinc/99/33/34/1370993334.db2.gz FGUDLRGDWRRPAL-GJZGRUSLSA-N 2 2 334.357 3.365 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206209417 1370993336 /nfs/dbraw/zinc/99/33/36/1370993336.db2.gz FGUDLRGDWRRPAL-GJZGRUSLSA-N 2 2 334.357 3.365 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)cc1Br ZINC001206213853 1370995249 /nfs/dbraw/zinc/99/52/49/1370995249.db2.gz WAXARIJSSBZPNE-CABCVRRESA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)cc1Br ZINC001206213853 1370995251 /nfs/dbraw/zinc/99/52/51/1370995251.db2.gz WAXARIJSSBZPNE-CABCVRRESA-N 2 2 329.257 3.327 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157378 1371015767 /nfs/dbraw/zinc/01/57/67/1371015767.db2.gz MCOVROGBMUVGAJ-RHSMWYFYSA-N 2 2 348.878 3.297 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157378 1371015770 /nfs/dbraw/zinc/01/57/70/1371015770.db2.gz MCOVROGBMUVGAJ-RHSMWYFYSA-N 2 2 348.878 3.297 20 0 EGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001206334946 1371025668 /nfs/dbraw/zinc/02/56/68/1371025668.db2.gz BBZKLARWTWUOLX-HNNXBMFYSA-N 2 2 329.257 3.145 20 0 EGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001206334946 1371025669 /nfs/dbraw/zinc/02/56/69/1371025669.db2.gz BBZKLARWTWUOLX-HNNXBMFYSA-N 2 2 329.257 3.145 20 0 EGADLP c1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC001206455168 1371059772 /nfs/dbraw/zinc/05/97/72/1371059772.db2.gz BKYOUZJPCDNFIA-NRFANRHFSA-N 2 2 328.500 3.252 20 0 EGADLP c1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC001206455168 1371059779 /nfs/dbraw/zinc/05/97/79/1371059779.db2.gz BKYOUZJPCDNFIA-NRFANRHFSA-N 2 2 328.500 3.252 20 0 EGADLP O[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC001117745429 1371073385 /nfs/dbraw/zinc/07/33/85/1371073385.db2.gz GVAKCZWSLUHXFB-QGZVFWFLSA-N 2 2 337.423 3.438 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533362 1371086144 /nfs/dbraw/zinc/08/61/44/1371086144.db2.gz GEOLBQCKBWXANX-RTRPANQVSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533362 1371086149 /nfs/dbraw/zinc/08/61/49/1371086149.db2.gz GEOLBQCKBWXANX-RTRPANQVSA-N 2 2 346.519 3.163 20 0 EGADLP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1OC ZINC001206548873 1371090042 /nfs/dbraw/zinc/09/00/42/1371090042.db2.gz KDEPFMZOMHAOBV-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP COc1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1OC ZINC001206548873 1371090044 /nfs/dbraw/zinc/09/00/44/1371090044.db2.gz KDEPFMZOMHAOBV-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563286 1371093934 /nfs/dbraw/zinc/09/39/34/1371093934.db2.gz BHYUPAPRUCQPAK-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206563286 1371093938 /nfs/dbraw/zinc/09/39/38/1371093938.db2.gz BHYUPAPRUCQPAK-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC001206640749 1371116496 /nfs/dbraw/zinc/11/64/96/1371116496.db2.gz MPGSZOSWJJTWNV-CQSZACIVSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC001206640749 1371116498 /nfs/dbraw/zinc/11/64/98/1371116498.db2.gz MPGSZOSWJJTWNV-CQSZACIVSA-N 2 2 341.293 3.409 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646863 1371118168 /nfs/dbraw/zinc/11/81/68/1371118168.db2.gz DVCCAKFNKYSBNR-ZDUSSCGKSA-N 2 2 341.293 3.327 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206646863 1371118171 /nfs/dbraw/zinc/11/81/71/1371118171.db2.gz DVCCAKFNKYSBNR-ZDUSSCGKSA-N 2 2 341.293 3.327 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206812222 1371177456 /nfs/dbraw/zinc/17/74/56/1371177456.db2.gz YGYVYGBSFBUFTQ-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206812222 1371177460 /nfs/dbraw/zinc/17/74/60/1371177460.db2.gz YGYVYGBSFBUFTQ-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973450 1371253046 /nfs/dbraw/zinc/25/30/46/1371253046.db2.gz IMGPHRKZPQBMIS-CPHMMYSSSA-N 2 2 340.471 3.049 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001206973450 1371253047 /nfs/dbraw/zinc/25/30/47/1371253047.db2.gz IMGPHRKZPQBMIS-CPHMMYSSSA-N 2 2 340.471 3.049 20 0 EGADLP Cc1ncsc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001206991838 1371261678 /nfs/dbraw/zinc/26/16/78/1371261678.db2.gz NYTVQXQJQUZTIH-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001206991838 1371261682 /nfs/dbraw/zinc/26/16/82/1371261682.db2.gz NYTVQXQJQUZTIH-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001206991838 1371261685 /nfs/dbraw/zinc/26/16/85/1371261685.db2.gz NYTVQXQJQUZTIH-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001206991838 1371261689 /nfs/dbraw/zinc/26/16/89/1371261689.db2.gz NYTVQXQJQUZTIH-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360415 1371373105 /nfs/dbraw/zinc/37/31/05/1371373105.db2.gz YWTKPBVSCGKSCB-IAGOWNOFSA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360415 1371373108 /nfs/dbraw/zinc/37/31/08/1371373108.db2.gz YWTKPBVSCGKSCB-IAGOWNOFSA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360415 1371373111 /nfs/dbraw/zinc/37/31/11/1371373111.db2.gz YWTKPBVSCGKSCB-IAGOWNOFSA-N 2 2 348.535 3.305 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1CCOC(C)(C)C1)[C@@H]2C ZINC001207360415 1371373115 /nfs/dbraw/zinc/37/31/15/1371373115.db2.gz YWTKPBVSCGKSCB-IAGOWNOFSA-N 2 2 348.535 3.305 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCc3cccc(Cl)c3)CC2)c1 ZINC001207424979 1371391150 /nfs/dbraw/zinc/39/11/50/1371391150.db2.gz CSYSPJRNJDXBQT-UHFFFAOYSA-N 2 2 331.847 3.108 20 0 EGADLP CC[N@H+](CCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001207505776 1371419034 /nfs/dbraw/zinc/41/90/34/1371419034.db2.gz XAUFFAXWCBJMAP-UHFFFAOYSA-N 2 2 325.294 3.408 20 0 EGADLP CC[N@@H+](CCc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC001207505776 1371419037 /nfs/dbraw/zinc/41/90/37/1371419037.db2.gz XAUFFAXWCBJMAP-UHFFFAOYSA-N 2 2 325.294 3.408 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659849 1371467073 /nfs/dbraw/zinc/46/70/73/1371467073.db2.gz PKVSNVUZMJHWQZ-IWOQZAADSA-N 2 2 346.519 3.263 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659849 1371467076 /nfs/dbraw/zinc/46/70/76/1371467076.db2.gz PKVSNVUZMJHWQZ-IWOQZAADSA-N 2 2 346.519 3.263 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164196 1371614841 /nfs/dbraw/zinc/61/48/41/1371614841.db2.gz ZCVXUVLLVUWLLO-HOTGVXAUSA-N 2 2 326.444 3.270 20 0 EGADLP CC1=C[C@H](C)[C@H](C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001208164196 1371614843 /nfs/dbraw/zinc/61/48/43/1371614843.db2.gz ZCVXUVLLVUWLLO-HOTGVXAUSA-N 2 2 326.444 3.270 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001208196181 1371636797 /nfs/dbraw/zinc/63/67/97/1371636797.db2.gz XZEIITBLYPDFLD-IRXDYDNUSA-N 2 2 330.472 3.494 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CCOCCOCc2ccccc2)CC1 ZINC001208747188 1371882840 /nfs/dbraw/zinc/88/28/40/1371882840.db2.gz GKABOTUCMLYDHY-UHFFFAOYSA-N 2 2 334.504 3.026 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCc2cccnc2OC(C)C)C1 ZINC001208801423 1371901520 /nfs/dbraw/zinc/90/15/20/1371901520.db2.gz PBLZPNAUMKBOCR-SFHVURJKSA-N 2 2 341.455 3.268 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCc2cccnc2OC(C)C)C1 ZINC001208801423 1371901521 /nfs/dbraw/zinc/90/15/21/1371901521.db2.gz PBLZPNAUMKBOCR-SFHVURJKSA-N 2 2 341.455 3.268 20 0 EGADLP O=C1CCC[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946956 1371958591 /nfs/dbraw/zinc/95/85/91/1371958591.db2.gz JLVDTCSRTTXXDN-VAMGGRTRSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946956 1371958614 /nfs/dbraw/zinc/95/86/14/1371958614.db2.gz JLVDTCSRTTXXDN-VAMGGRTRSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946956 1371958619 /nfs/dbraw/zinc/95/86/19/1371958619.db2.gz JLVDTCSRTTXXDN-VAMGGRTRSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208946956 1371958624 /nfs/dbraw/zinc/95/86/24/1371958624.db2.gz JLVDTCSRTTXXDN-VAMGGRTRSA-N 2 2 326.484 3.200 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001121395521 1371961387 /nfs/dbraw/zinc/96/13/87/1371961387.db2.gz LNVZSQCVLLHPGT-NUVKBMONSA-N 2 2 340.471 3.011 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209450430 1372109594 /nfs/dbraw/zinc/10/95/94/1372109594.db2.gz JDUCJYFUAVNZNS-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC001209450430 1372109600 /nfs/dbraw/zinc/10/96/00/1372109600.db2.gz JDUCJYFUAVNZNS-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121895571 1372116761 /nfs/dbraw/zinc/11/67/61/1372116761.db2.gz FZNNECHRGSHWJE-WIOLVWRCSA-N 2 2 346.519 3.042 20 0 EGADLP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121895571 1372116766 /nfs/dbraw/zinc/11/67/66/1372116766.db2.gz FZNNECHRGSHWJE-WIOLVWRCSA-N 2 2 346.519 3.042 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001209569627 1372139460 /nfs/dbraw/zinc/13/94/60/1372139460.db2.gz UAEFQDPEQIVODI-UIZHIOIMSA-N 2 2 344.503 3.157 20 0 EGADLP CCOc1cc(C(=O)OC)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209690843 1372171828 /nfs/dbraw/zinc/17/18/28/1372171828.db2.gz PFGFJYPYPCWOIT-UHFFFAOYSA-N 2 2 348.487 3.177 20 0 EGADLP CCOc1cc(C(=O)OC)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001209690843 1372171831 /nfs/dbraw/zinc/17/18/31/1372171831.db2.gz PFGFJYPYPCWOIT-UHFFFAOYSA-N 2 2 348.487 3.177 20 0 EGADLP Nc1cc[nH+]cc1C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC001209734503 1372179822 /nfs/dbraw/zinc/17/98/22/1372179822.db2.gz RZKTUWNCZFCEOM-UHFFFAOYSA-N 2 2 329.831 3.242 20 0 EGADLP CC(=O)N1CCN(c2cc[nH+]cc2Nc2cccc3cc[nH+]cc32)CC1 ZINC001210225423 1372298078 /nfs/dbraw/zinc/29/80/78/1372298078.db2.gz GMTOCRISRDQJCU-UHFFFAOYSA-N 2 2 347.422 3.042 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438627 1372353090 /nfs/dbraw/zinc/35/30/90/1372353090.db2.gz VOIXPCCHEPKJPE-GOSISDBHSA-N 2 2 338.455 3.033 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210668641 1372403500 /nfs/dbraw/zinc/40/35/00/1372403500.db2.gz OGIUGOZHARYOLU-FYCOFBDGSA-N 2 2 332.492 3.014 20 0 EGADLP C[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211448076 1372560801 /nfs/dbraw/zinc/56/08/01/1372560801.db2.gz XCLIXARHUUMDDX-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211448076 1372560802 /nfs/dbraw/zinc/56/08/02/1372560802.db2.gz XCLIXARHUUMDDX-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]([NH3+])c1ncc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)s1 ZINC001213205136 1372859851 /nfs/dbraw/zinc/85/98/51/1372859851.db2.gz NEYHDNZLCYEKOL-JTQLQIEISA-N 2 2 338.396 3.066 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001215705171 1373234006 /nfs/dbraw/zinc/23/40/06/1373234006.db2.gz GPAJZWBKSCJHDL-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP c1cn(-c2ccc(-c3noc(-c4csc5c4CC[NH2+]C5)n3)cc2)c[nH+]1 ZINC001217257920 1373412620 /nfs/dbraw/zinc/41/26/20/1373412620.db2.gz MSPWOPQLDMRIOS-UHFFFAOYSA-N 2 2 349.419 3.297 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3csc4c3CC[NH2+]C4)n2)c[nH+]1 ZINC001217257975 1373412709 /nfs/dbraw/zinc/41/27/09/1373412709.db2.gz PVCAKIJVUXWOJA-UHFFFAOYSA-N 2 2 349.419 3.297 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001130001264 1373444577 /nfs/dbraw/zinc/44/45/77/1373444577.db2.gz IYXRQIXZRKLHSB-QGZVFWFLSA-N 2 2 348.878 3.030 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001130001624 1373444803 /nfs/dbraw/zinc/44/48/03/1373444803.db2.gz VCBDPCJAEPZPMQ-SFHVURJKSA-N 2 2 334.508 3.147 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC001130006606 1373445521 /nfs/dbraw/zinc/44/55/21/1373445521.db2.gz MQVBQYOSEGIGRA-MOPGFXCFSA-N 2 2 342.487 3.327 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1Cl ZINC001130268753 1373481765 /nfs/dbraw/zinc/48/17/65/1373481765.db2.gz HIHTWDBHQJDUCZ-GFCCVEGCSA-N 2 2 342.830 3.297 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1 ZINC001217699063 1373489825 /nfs/dbraw/zinc/48/98/25/1373489825.db2.gz JVKHIOILTPFYGP-AWEZNQCLSA-N 2 2 348.328 3.381 20 0 EGADLP CCc1ccc(CC[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001131563052 1373721504 /nfs/dbraw/zinc/72/15/04/1373721504.db2.gz WEPCQSGKSRICTO-UHFFFAOYSA-N 2 2 339.483 3.131 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C)c1ccccc1 ZINC001131562751 1373721703 /nfs/dbraw/zinc/72/17/03/1373721703.db2.gz ILXQERNCILNGHB-GOSISDBHSA-N 2 2 325.456 3.478 20 0 EGADLP CC(C)C[C@@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001220031471 1373747033 /nfs/dbraw/zinc/74/70/33/1373747033.db2.gz WCKZRMRUQNUOHP-RTBURBONSA-N 2 2 325.456 3.162 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286137 1388282683 /nfs/dbraw/zinc/28/26/83/1388282683.db2.gz PTMZBUYFGZTUQP-IPMKNSEASA-N 2 2 346.519 3.049 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286137 1388282687 /nfs/dbraw/zinc/28/26/87/1388282687.db2.gz PTMZBUYFGZTUQP-IPMKNSEASA-N 2 2 346.519 3.049 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001188353750 1388295735 /nfs/dbraw/zinc/29/57/35/1388295735.db2.gz JUMHBKDACWDRLW-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090333 1375139949 /nfs/dbraw/zinc/13/99/49/1375139949.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132090333 1375139951 /nfs/dbraw/zinc/13/99/51/1375139951.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090333 1375139955 /nfs/dbraw/zinc/13/99/55/1375139955.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090333 1375139958 /nfs/dbraw/zinc/13/99/58/1375139958.db2.gz GNCVXDJGRAOBCF-DOTOQJQBSA-N 2 2 334.508 3.138 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195640 1375201522 /nfs/dbraw/zinc/20/15/22/1375201522.db2.gz RVKJDGOIKYAFFJ-PLQXZHKYSA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195640 1375201528 /nfs/dbraw/zinc/20/15/28/1375201528.db2.gz RVKJDGOIKYAFFJ-PLQXZHKYSA-N 2 2 346.519 3.068 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696392 1375310405 /nfs/dbraw/zinc/31/04/05/1375310405.db2.gz GECSTHBVGPWJQD-IAGOWNOFSA-N 2 2 334.508 3.186 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696392 1375310414 /nfs/dbraw/zinc/31/04/14/1375310414.db2.gz GECSTHBVGPWJQD-IAGOWNOFSA-N 2 2 334.508 3.186 20 0 EGADLP CC(C)CCC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922895 1375491699 /nfs/dbraw/zinc/49/16/99/1375491699.db2.gz IBBQEWGEAKMQQR-LJQANCHMSA-N 2 2 348.535 3.487 20 0 EGADLP CCCCCC[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001227987290 1375498731 /nfs/dbraw/zinc/49/87/31/1375498731.db2.gz WDGHBGQVBLJMMK-UHFFFAOYSA-N 2 2 328.460 3.337 20 0 EGADLP CCC/C=C\CC[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001228249824 1375533539 /nfs/dbraw/zinc/53/35/39/1375533539.db2.gz WEURPNXTUMJTNP-PLNGDYQASA-N 2 2 340.471 3.275 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C2)c[nH+]1 ZINC001132923198 1375645750 /nfs/dbraw/zinc/64/57/50/1375645750.db2.gz DRLFXDOVWQDHTQ-AEFFLSMTSA-N 2 2 348.535 3.047 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001133001636 1375703744 /nfs/dbraw/zinc/70/37/44/1375703744.db2.gz DIYSPDVFTBEFDX-KDOFPFPSSA-N 2 2 331.504 3.351 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001133272499 1375887481 /nfs/dbraw/zinc/88/74/81/1375887481.db2.gz ZPIVYBYCOSBRFC-RDJZCZTQSA-N 2 2 348.535 3.161 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](C/C=C/Cl)CC1)c1ccccc1 ZINC001230017116 1375931787 /nfs/dbraw/zinc/93/17/87/1375931787.db2.gz UHENKKUUXQJWFU-NUCSPZLJSA-N 2 2 349.906 3.013 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](C/C=C/Cl)CC1)c1ccccc1 ZINC001230017116 1375931792 /nfs/dbraw/zinc/93/17/92/1375931792.db2.gz UHENKKUUXQJWFU-NUCSPZLJSA-N 2 2 349.906 3.013 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606326 1376097534 /nfs/dbraw/zinc/09/75/34/1376097534.db2.gz VWSHPBFYGLOFCC-LLHWWHOWSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606326 1376097540 /nfs/dbraw/zinc/09/75/40/1376097540.db2.gz VWSHPBFYGLOFCC-LLHWWHOWSA-N 2 2 344.503 3.012 20 0 EGADLP CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)s1 ZINC001231498199 1376251325 /nfs/dbraw/zinc/25/13/25/1376251325.db2.gz BYTYTHFLBQWERU-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)s1 ZINC001231498199 1376251333 /nfs/dbraw/zinc/25/13/33/1376251333.db2.gz BYTYTHFLBQWERU-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)s1 ZINC001231498199 1376251341 /nfs/dbraw/zinc/25/13/41/1376251341.db2.gz BYTYTHFLBQWERU-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)s1 ZINC001231498199 1376251350 /nfs/dbraw/zinc/25/13/50/1376251350.db2.gz BYTYTHFLBQWERU-CALCHBBNSA-N 2 2 327.497 3.269 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C2 ZINC001231827264 1376324174 /nfs/dbraw/zinc/32/41/74/1376324174.db2.gz PUUCPDUQQQCSIP-CZUORRHYSA-N 2 2 346.368 3.307 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C2 ZINC001231827264 1376324178 /nfs/dbraw/zinc/32/41/78/1376324178.db2.gz PUUCPDUQQQCSIP-CZUORRHYSA-N 2 2 346.368 3.307 20 0 EGADLP Cc1cc(F)ncc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001231983711 1376371662 /nfs/dbraw/zinc/37/16/62/1376371662.db2.gz BIFGEIRGIBTEKD-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(F)ncc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001231983711 1376371664 /nfs/dbraw/zinc/37/16/64/1376371664.db2.gz BIFGEIRGIBTEKD-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(F)ncc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001231983711 1376371669 /nfs/dbraw/zinc/37/16/69/1376371669.db2.gz BIFGEIRGIBTEKD-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(F)ncc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001231983711 1376371673 /nfs/dbraw/zinc/37/16/73/1376371673.db2.gz BIFGEIRGIBTEKD-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)s1 ZINC001134228391 1376424962 /nfs/dbraw/zinc/42/49/62/1376424962.db2.gz ODNOVRMJCPJAJJ-QWHCGFSZSA-N 2 2 348.516 3.094 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402494 1376511724 /nfs/dbraw/zinc/51/17/24/1376511724.db2.gz FBBZXIIJMAYKLG-DLBZAZTESA-N 2 2 348.535 3.215 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313467 1376611346 /nfs/dbraw/zinc/61/13/46/1376611346.db2.gz XKBBTLSHNVAGSL-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313467 1376611350 /nfs/dbraw/zinc/61/13/50/1376611350.db2.gz XKBBTLSHNVAGSL-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313467 1376611355 /nfs/dbraw/zinc/61/13/55/1376611355.db2.gz XKBBTLSHNVAGSL-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313467 1376611358 /nfs/dbraw/zinc/61/13/58/1376611358.db2.gz XKBBTLSHNVAGSL-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001134741276 1376691459 /nfs/dbraw/zinc/69/14/59/1376691459.db2.gz WIZGWVLAWUHFKK-KGLIPLIRSA-N 2 2 342.487 3.486 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001134743866 1376692369 /nfs/dbraw/zinc/69/23/69/1376692369.db2.gz FAVQVITUZXZJAP-CVEARBPZSA-N 2 2 345.487 3.006 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001134745304 1376693642 /nfs/dbraw/zinc/69/36/42/1376693642.db2.gz USNLKLFPTFVOPO-HZPDHXFCSA-N 2 2 349.519 3.332 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968476 1376817595 /nfs/dbraw/zinc/81/75/95/1376817595.db2.gz BZTGJRJDMGROBQ-HZPDHXFCSA-N 2 2 330.476 3.257 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970208 1376818366 /nfs/dbraw/zinc/81/83/66/1376818366.db2.gz QDPBLARPJDRIOH-UONOGXRCSA-N 2 2 342.468 3.083 20 0 EGADLP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115908 1376847497 /nfs/dbraw/zinc/84/74/97/1376847497.db2.gz SMUCETIELBCXJV-NQIIRXRSSA-N 2 2 330.516 3.443 20 0 EGADLP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115908 1376847501 /nfs/dbraw/zinc/84/75/01/1376847501.db2.gz SMUCETIELBCXJV-NQIIRXRSSA-N 2 2 330.516 3.443 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124121 1376853994 /nfs/dbraw/zinc/85/39/94/1376853994.db2.gz PJBAHPFJCVAIGM-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001235124121 1376854004 /nfs/dbraw/zinc/85/40/04/1376854004.db2.gz PJBAHPFJCVAIGM-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124121 1376854010 /nfs/dbraw/zinc/85/40/10/1376854010.db2.gz PJBAHPFJCVAIGM-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001235124121 1376854016 /nfs/dbraw/zinc/85/40/16/1376854016.db2.gz PJBAHPFJCVAIGM-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP Clc1ncnc(Cl)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235242775 1376862250 /nfs/dbraw/zinc/86/22/50/1376862250.db2.gz UWXCOPZFBKCTCK-ZDUSSCGKSA-N 2 2 329.275 3.138 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135057368 1376872564 /nfs/dbraw/zinc/87/25/64/1376872564.db2.gz SZXGIRFOXZWCQR-IRXDYDNUSA-N 2 2 348.535 3.196 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098420 1376896491 /nfs/dbraw/zinc/89/64/91/1376896491.db2.gz XQGGBWZTSWMWGH-HOTGVXAUSA-N 2 2 340.471 3.159 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235943910 1376920675 /nfs/dbraw/zinc/92/06/75/1376920675.db2.gz ZWPOSLRSJMIRHA-KBPBESRZSA-N 2 2 328.378 3.145 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC001235943910 1376920686 /nfs/dbraw/zinc/92/06/86/1376920686.db2.gz ZWPOSLRSJMIRHA-KBPBESRZSA-N 2 2 328.378 3.145 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135136655 1376926290 /nfs/dbraw/zinc/92/62/90/1376926290.db2.gz JGFWSUSIGLKXCZ-IRXDYDNUSA-N 2 2 334.508 3.117 20 0 EGADLP CCC[N@@H+](Cc1cccc(OC)c1Br)C[C@@H]1CC[NH2+]C1 ZINC001236842932 1376966640 /nfs/dbraw/zinc/96/66/40/1376966640.db2.gz HYDGHINRVVWYGA-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP CCC[N@H+](Cc1cccc(OC)c1Br)C[C@@H]1CC[NH2+]C1 ZINC001236842932 1376966645 /nfs/dbraw/zinc/96/66/45/1376966645.db2.gz HYDGHINRVVWYGA-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246297482 1377050847 /nfs/dbraw/zinc/05/08/47/1377050847.db2.gz GMXUJFJSGVACAT-BHIFYINESA-N 3 2 341.543 3.205 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246937530 1377056201 /nfs/dbraw/zinc/05/62/01/1377056201.db2.gz PLRIXQGGRHUROT-NZSAHSFTSA-N 2 2 348.462 3.112 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246937530 1377056204 /nfs/dbraw/zinc/05/62/04/1377056204.db2.gz PLRIXQGGRHUROT-NZSAHSFTSA-N 2 2 348.462 3.112 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817971 1377070401 /nfs/dbraw/zinc/07/04/01/1377070401.db2.gz RYNKBQVCPKDMJI-KRWDZBQOSA-N 2 2 345.462 3.382 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817971 1377070404 /nfs/dbraw/zinc/07/04/04/1377070404.db2.gz RYNKBQVCPKDMJI-KRWDZBQOSA-N 2 2 345.462 3.382 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258638355 1377118371 /nfs/dbraw/zinc/11/83/71/1377118371.db2.gz HIAVFBDTFBWFFK-SFHVURJKSA-N 2 2 343.515 3.001 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001135578460 1377153830 /nfs/dbraw/zinc/15/38/30/1377153830.db2.gz BJVOFKYSWJZIDL-HZPDHXFCSA-N 2 2 342.487 3.149 20 0 EGADLP Cc1cccn2cc(CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(C)C)[nH+]c12 ZINC001135680322 1377181978 /nfs/dbraw/zinc/18/19/78/1377181978.db2.gz UPNOOBVLSNQTAI-DLBZAZTESA-N 2 2 344.503 3.104 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840931 1377228945 /nfs/dbraw/zinc/22/89/45/1377228945.db2.gz RLVVRVOYDQANCL-SJORKVTESA-N 2 2 340.471 3.325 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](CC)CC1 ZINC001266388694 1377302562 /nfs/dbraw/zinc/30/25/62/1377302562.db2.gz NGAQTAUPCLZCFT-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CC1CCCCCC1 ZINC001136057070 1377317115 /nfs/dbraw/zinc/31/71/15/1377317115.db2.gz WDQURFGEPWKSJT-SJORKVTESA-N 2 2 348.535 3.196 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057754 1377469106 /nfs/dbraw/zinc/46/91/06/1377469106.db2.gz OKTMTFGLPJNQSU-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057754 1377469109 /nfs/dbraw/zinc/46/91/09/1377469109.db2.gz OKTMTFGLPJNQSU-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001137316015 1377516241 /nfs/dbraw/zinc/51/62/41/1377516241.db2.gz WJPJDGXUXIBRQO-ROUUACIJSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001268741446 1377523267 /nfs/dbraw/zinc/52/32/67/1377523267.db2.gz ZUCLVIPTXSIJES-ZDUSSCGKSA-N 2 2 339.430 3.102 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001268741446 1377523268 /nfs/dbraw/zinc/52/32/68/1377523268.db2.gz ZUCLVIPTXSIJES-ZDUSSCGKSA-N 2 2 339.430 3.102 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC001138284960 1377697616 /nfs/dbraw/zinc/69/76/16/1377697616.db2.gz LOBNIGMXUIGBBR-UHFFFAOYSA-N 2 2 340.471 3.285 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(C)s1 ZINC001138569515 1377744071 /nfs/dbraw/zinc/74/40/71/1377744071.db2.gz KTUNCZMPJDOKKQ-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716294 1377772241 /nfs/dbraw/zinc/77/22/41/1377772241.db2.gz AEWVIOGQDLDZHQ-FQEVSTJZSA-N 2 2 344.499 3.087 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716294 1377772245 /nfs/dbraw/zinc/77/22/45/1377772245.db2.gz AEWVIOGQDLDZHQ-FQEVSTJZSA-N 2 2 344.499 3.087 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716295 1377772696 /nfs/dbraw/zinc/77/26/96/1377772696.db2.gz AEWVIOGQDLDZHQ-HXUWFJFHSA-N 2 2 344.499 3.087 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716295 1377772697 /nfs/dbraw/zinc/77/26/97/1377772697.db2.gz AEWVIOGQDLDZHQ-HXUWFJFHSA-N 2 2 344.499 3.087 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782179 1377784660 /nfs/dbraw/zinc/78/46/60/1377784660.db2.gz GZAGCUVMEPCHAS-CMKODMSKSA-N 2 2 346.519 3.421 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782179 1377784662 /nfs/dbraw/zinc/78/46/62/1377784662.db2.gz GZAGCUVMEPCHAS-CMKODMSKSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782179 1377784666 /nfs/dbraw/zinc/78/46/66/1377784666.db2.gz GZAGCUVMEPCHAS-CMKODMSKSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccnn1[C@H]1CCCCO1 ZINC001138782179 1377784669 /nfs/dbraw/zinc/78/46/69/1377784669.db2.gz GZAGCUVMEPCHAS-CMKODMSKSA-N 2 2 346.519 3.421 20 0 EGADLP c1cc(C[N@H+](C2CCC2)C2CCOCC2)cc(C[NH+]2CCOCC2)c1 ZINC001139060154 1377823539 /nfs/dbraw/zinc/82/35/39/1377823539.db2.gz PRURFTSZONZXHI-UHFFFAOYSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[N@@H+](C2CCC2)C2CCOCC2)cc(C[NH+]2CCOCC2)c1 ZINC001139060154 1377823541 /nfs/dbraw/zinc/82/35/41/1377823541.db2.gz PRURFTSZONZXHI-UHFFFAOYSA-N 2 2 344.499 3.052 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC001139213546 1377853190 /nfs/dbraw/zinc/85/31/90/1377853190.db2.gz AYYIAQQWSJVDOI-CQSZACIVSA-N 2 2 326.425 3.048 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC001139213546 1377853191 /nfs/dbraw/zinc/85/31/91/1377853191.db2.gz AYYIAQQWSJVDOI-CQSZACIVSA-N 2 2 326.425 3.048 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(-n3cncn3)cc2)C2CCCC2)CC1 ZINC001139334651 1377869700 /nfs/dbraw/zinc/86/97/00/1377869700.db2.gz BQPOPCMYNHXKSN-UHFFFAOYSA-N 2 2 339.487 3.106 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(-n3cncn3)cc2)C2CCCC2)CC1 ZINC001139334651 1377869701 /nfs/dbraw/zinc/86/97/01/1377869701.db2.gz BQPOPCMYNHXKSN-UHFFFAOYSA-N 2 2 339.487 3.106 20 0 EGADLP CCc1noc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC001139362717 1377874278 /nfs/dbraw/zinc/87/42/78/1377874278.db2.gz NXYAOMVRGFKFKT-UHFFFAOYSA-N 2 2 337.427 3.197 20 0 EGADLP COCC[N@H+](Cc1ccc(-c2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139517696 1377896467 /nfs/dbraw/zinc/89/64/67/1377896467.db2.gz BCYWNABPCBESHW-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP COCC[N@@H+](Cc1ccc(-c2ccccc2)nc1)C1CC[NH+](C)CC1 ZINC001139517696 1377896475 /nfs/dbraw/zinc/89/64/75/1377896475.db2.gz BCYWNABPCBESHW-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139760242 1377947979 /nfs/dbraw/zinc/94/79/79/1377947979.db2.gz LDOXXHCGZTYRMF-RTBURBONSA-N 2 2 346.515 3.266 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1C ZINC001139760242 1377947981 /nfs/dbraw/zinc/94/79/81/1377947981.db2.gz LDOXXHCGZTYRMF-RTBURBONSA-N 2 2 346.515 3.266 20 0 EGADLP COCc1ccc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)s1 ZINC001139828696 1377957958 /nfs/dbraw/zinc/95/79/58/1377957958.db2.gz RXOIFNDXTLQYEP-UHFFFAOYSA-N 2 2 331.485 3.310 20 0 EGADLP COCc1ccc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)s1 ZINC001139828696 1377957959 /nfs/dbraw/zinc/95/79/59/1377957959.db2.gz RXOIFNDXTLQYEP-UHFFFAOYSA-N 2 2 331.485 3.310 20 0 EGADLP Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)no1 ZINC001140021425 1377991463 /nfs/dbraw/zinc/99/14/63/1377991463.db2.gz LUKYCCNQFKVPAM-KRWDZBQOSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)no1 ZINC001140021425 1377991465 /nfs/dbraw/zinc/99/14/65/1377991465.db2.gz LUKYCCNQFKVPAM-KRWDZBQOSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC001140023014 1377991892 /nfs/dbraw/zinc/99/18/92/1377991892.db2.gz ICPRWPJXWYERFZ-UHFFFAOYSA-N 2 2 348.450 3.209 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2ccc(C)cn2)CC1 ZINC001140027935 1377992932 /nfs/dbraw/zinc/99/29/32/1377992932.db2.gz HNLMRSYQRUSZJV-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP Cc1nc(C2CC[NH+](Cc3ccccc3-n3cc[nH+]c3C)CC2)no1 ZINC001140028542 1377993318 /nfs/dbraw/zinc/99/33/18/1377993318.db2.gz WHJZSEANVKMXPS-UHFFFAOYSA-N 2 2 337.427 3.252 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1C ZINC001140157205 1378022780 /nfs/dbraw/zinc/02/27/80/1378022780.db2.gz WRTURAPLGZTWIE-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1C ZINC001140157205 1378022781 /nfs/dbraw/zinc/02/27/81/1378022781.db2.gz WRTURAPLGZTWIE-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1C ZINC001140157205 1378022782 /nfs/dbraw/zinc/02/27/82/1378022782.db2.gz WRTURAPLGZTWIE-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C ZINC001140157205 1378022783 /nfs/dbraw/zinc/02/27/83/1378022783.db2.gz WRTURAPLGZTWIE-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP OCc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001140684562 1378113688 /nfs/dbraw/zinc/11/36/88/1378113688.db2.gz OJNDLGDFSCZXEF-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001140684562 1378113691 /nfs/dbraw/zinc/11/36/91/1378113691.db2.gz OJNDLGDFSCZXEF-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001140684562 1378113695 /nfs/dbraw/zinc/11/36/95/1378113695.db2.gz OJNDLGDFSCZXEF-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001140684562 1378113697 /nfs/dbraw/zinc/11/36/97/1378113697.db2.gz OJNDLGDFSCZXEF-OAQYLSRUSA-N 2 2 340.467 3.260 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140775441 1378133704 /nfs/dbraw/zinc/13/37/04/1378133704.db2.gz XUYJYIUPJYFURR-UHFFFAOYSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001140775441 1378133705 /nfs/dbraw/zinc/13/37/05/1378133705.db2.gz XUYJYIUPJYFURR-UHFFFAOYSA-N 2 2 348.487 3.248 20 0 EGADLP Cc1ccc2nc(C3CC[NH+](Cc4c[nH]c5cc[nH+]cc45)CC3)nn2c1 ZINC001140803696 1378140295 /nfs/dbraw/zinc/14/02/95/1378140295.db2.gz WVHKUILCIROPPL-UHFFFAOYSA-N 2 2 346.438 3.294 20 0 EGADLP Fc1ccc(F)c(O[C@H]2CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140803966 1378141572 /nfs/dbraw/zinc/14/15/72/1378141572.db2.gz XFYAWZGCNJNAOD-AWEZNQCLSA-N 2 2 329.350 3.494 20 0 EGADLP Fc1ccc(F)c(O[C@H]2CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140803966 1378141574 /nfs/dbraw/zinc/14/15/74/1378141574.db2.gz XFYAWZGCNJNAOD-AWEZNQCLSA-N 2 2 329.350 3.494 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4c[nH]c5cc[nH+]cc45)C[C@H]3C2)cc1 ZINC001140801387 1378141714 /nfs/dbraw/zinc/14/17/14/1378141714.db2.gz LMOPKKKYWQCXGP-WOJBJXKFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1c[nH]c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1C ZINC001140859880 1378160605 /nfs/dbraw/zinc/16/06/05/1378160605.db2.gz DQICUBRZDFJYAO-UHFFFAOYSA-N 2 2 343.471 3.092 20 0 EGADLP Cc1c[nH]c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1C ZINC001140859880 1378160608 /nfs/dbraw/zinc/16/06/08/1378160608.db2.gz DQICUBRZDFJYAO-UHFFFAOYSA-N 2 2 343.471 3.092 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(OC)cc4)n3)C[C@H]2C1 ZINC001140962800 1378195150 /nfs/dbraw/zinc/19/51/50/1378195150.db2.gz KCDDFTVJMCCYJV-QZTJIDSGSA-N 2 2 337.467 3.141 20 0 EGADLP c1cn2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046121 1378218619 /nfs/dbraw/zinc/21/86/19/1378218619.db2.gz MUNAURREQCLHIB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046121 1378218623 /nfs/dbraw/zinc/21/86/23/1378218623.db2.gz MUNAURREQCLHIB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046121 1378218628 /nfs/dbraw/zinc/21/86/28/1378218628.db2.gz MUNAURREQCLHIB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2n1 ZINC001141046121 1378218634 /nfs/dbraw/zinc/21/86/34/1378218634.db2.gz MUNAURREQCLHIB-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP Cc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001279987836 1378326282 /nfs/dbraw/zinc/32/62/82/1378326282.db2.gz IJWCDZCZSOPWLJ-DYESRHJHSA-N 2 2 346.434 3.103 20 0 EGADLP Cc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001279987836 1378326287 /nfs/dbraw/zinc/32/62/87/1378326287.db2.gz IJWCDZCZSOPWLJ-DYESRHJHSA-N 2 2 346.434 3.103 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2[nH]1 ZINC001144712216 1378762724 /nfs/dbraw/zinc/76/27/24/1378762724.db2.gz OVPWRGZTUWLBEE-WOJBJXKFSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC001327870257 1388610969 /nfs/dbraw/zinc/61/09/69/1388610969.db2.gz DOAVESGGLZBQGQ-GOSISDBHSA-N 2 2 341.499 3.267 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC001327870257 1388610971 /nfs/dbraw/zinc/61/09/71/1388610971.db2.gz DOAVESGGLZBQGQ-GOSISDBHSA-N 2 2 341.499 3.267 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC001327870257 1388610975 /nfs/dbraw/zinc/61/09/75/1388610975.db2.gz DOAVESGGLZBQGQ-GOSISDBHSA-N 2 2 341.499 3.267 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC001327870257 1388610976 /nfs/dbraw/zinc/61/09/76/1388610976.db2.gz DOAVESGGLZBQGQ-GOSISDBHSA-N 2 2 341.499 3.267 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082879 1380201528 /nfs/dbraw/zinc/20/15/28/1380201528.db2.gz AOEAEJJELLWOMT-GDBMZVCRSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154082879 1380201532 /nfs/dbraw/zinc/20/15/32/1380201532.db2.gz AOEAEJJELLWOMT-GDBMZVCRSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082879 1380201536 /nfs/dbraw/zinc/20/15/36/1380201536.db2.gz AOEAEJJELLWOMT-GDBMZVCRSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154082879 1380201542 /nfs/dbraw/zinc/20/15/42/1380201542.db2.gz AOEAEJJELLWOMT-GDBMZVCRSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528782 1380298360 /nfs/dbraw/zinc/29/83/60/1380298360.db2.gz IVDPDYCEFBDHJY-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528782 1380298362 /nfs/dbraw/zinc/29/83/62/1380298362.db2.gz IVDPDYCEFBDHJY-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001155025673 1380393863 /nfs/dbraw/zinc/39/38/63/1380393863.db2.gz PENYBUHMJNBSDF-XJKSGUPXSA-N 2 2 327.428 3.069 20 0 EGADLP Fc1cc2ncnc(Cl)c2c(-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155063840 1380401679 /nfs/dbraw/zinc/40/16/79/1380401679.db2.gz GGJMLPSHVOAZNI-UHFFFAOYSA-N 2 2 331.782 3.075 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC[C@]2(F)CCCC[NH2+]C2)c1)C1CC1 ZINC001155119955 1380412439 /nfs/dbraw/zinc/41/24/39/1380412439.db2.gz UAUDIXNYMQXGTK-LPHOPBHVSA-N 2 2 349.450 3.032 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677288 1380608652 /nfs/dbraw/zinc/60/86/52/1380608652.db2.gz QPQQXCOABCADFC-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677288 1380608654 /nfs/dbraw/zinc/60/86/54/1380608654.db2.gz QPQQXCOABCADFC-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CCN(C)c1cc(C)[nH+]c(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001156775435 1380632611 /nfs/dbraw/zinc/63/26/11/1380632611.db2.gz HFBWECYTAOTOPG-UHFFFAOYSA-N 2 2 336.443 3.063 20 0 EGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(-n2ccnc2)cc[nH+]1 ZINC001156788332 1380637384 /nfs/dbraw/zinc/63/73/84/1380637384.db2.gz UHGITBBYJHQBNI-UHFFFAOYSA-N 2 2 330.395 3.089 20 0 EGADLP Fc1cccc(F)c1[C@@H]1CCCN1c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001156940400 1380735057 /nfs/dbraw/zinc/73/50/57/1380735057.db2.gz QJSHNAIYZAWXGO-KRWDZBQOSA-N 2 2 344.409 3.111 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153122 1380788064 /nfs/dbraw/zinc/78/80/64/1380788064.db2.gz FABUISQELXEMHQ-IEBWSBKVSA-N 2 2 348.535 3.091 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153122 1380788069 /nfs/dbraw/zinc/78/80/69/1380788069.db2.gz FABUISQELXEMHQ-IEBWSBKVSA-N 2 2 348.535 3.091 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001157660312 1380992163 /nfs/dbraw/zinc/99/21/63/1380992163.db2.gz PWJIZERUSOFTOJ-VOTSOKGWSA-N 2 2 343.471 3.031 20 0 EGADLP CCC[N@H+]1C[C@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)C[C@H]2C1 ZINC001157689182 1381003169 /nfs/dbraw/zinc/00/31/69/1381003169.db2.gz HJSBHJKMTXAZAD-IYBDPMFKSA-N 2 2 325.456 3.330 20 0 EGADLP CCC[N@@H+]1C[C@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)C[C@H]2C1 ZINC001157689182 1381003172 /nfs/dbraw/zinc/00/31/72/1381003172.db2.gz HJSBHJKMTXAZAD-IYBDPMFKSA-N 2 2 325.456 3.330 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158276694 1381182597 /nfs/dbraw/zinc/18/25/97/1381182597.db2.gz AQBVJBMHXYXLDD-DUMMIQTOSA-N 2 2 346.519 3.022 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158276694 1381182602 /nfs/dbraw/zinc/18/26/02/1381182602.db2.gz AQBVJBMHXYXLDD-DUMMIQTOSA-N 2 2 346.519 3.022 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296465 1381188617 /nfs/dbraw/zinc/18/86/17/1381188617.db2.gz LUXGVCOETXIYTR-GOSISDBHSA-N 2 2 334.508 3.166 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296465 1381188621 /nfs/dbraw/zinc/18/86/21/1381188621.db2.gz LUXGVCOETXIYTR-GOSISDBHSA-N 2 2 334.508 3.166 20 0 EGADLP CCCc1cc(-n2c(C)c(CC[NH3+])c3cc(OC)ccc32)nc(C)[nH+]1 ZINC001158296342 1381189083 /nfs/dbraw/zinc/18/90/83/1381189083.db2.gz FSTHGMWZIVKQGB-UHFFFAOYSA-N 2 2 338.455 3.500 20 0 EGADLP Cc1c[nH+]c(N(C2CCCC2)C2CC[NH+](C)CC2)nc1NCC1CC1 ZINC001158485943 1381264231 /nfs/dbraw/zinc/26/42/31/1381264231.db2.gz YSKZTZJSTDCYBK-UHFFFAOYSA-N 2 2 343.519 3.450 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158534558 1381284801 /nfs/dbraw/zinc/28/48/01/1381284801.db2.gz YOZUXMSKZLZCKR-QZTJIDSGSA-N 2 2 332.492 3.113 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001158534558 1381284805 /nfs/dbraw/zinc/28/48/05/1381284805.db2.gz YOZUXMSKZLZCKR-QZTJIDSGSA-N 2 2 332.492 3.113 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC001328322413 1388722289 /nfs/dbraw/zinc/72/22/89/1388722289.db2.gz MIOMNISHWXEOJY-UHFFFAOYSA-N 2 2 335.342 3.448 20 0 EGADLP Cc1cc(N2CCC3(CC2)[NH2+]CCc2ccccc23)nc(C2CC2)[nH+]1 ZINC001159017648 1381511111 /nfs/dbraw/zinc/51/11/11/1381511111.db2.gz GHWVJVVNBOEUJT-UHFFFAOYSA-N 2 2 334.467 3.304 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC001328355216 1388728904 /nfs/dbraw/zinc/72/89/04/1388728904.db2.gz CRFCWIUXQZYBTM-LBPRGKRZSA-N 2 2 340.358 3.121 20 0 EGADLP CCOc1ccc(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)cc1C ZINC001159321141 1381760718 /nfs/dbraw/zinc/76/07/18/1381760718.db2.gz FBWIITCYUFFHOB-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159417314 1381790492 /nfs/dbraw/zinc/79/04/92/1381790492.db2.gz WEHOLMVAALMQMD-UHFFFAOYSA-N 2 2 335.411 3.185 20 0 EGADLP Cc1ccc2c(Nc3c(O)cccc3N3CC[NH2+]CC3)cccc2[nH+]1 ZINC001160012362 1381967286 /nfs/dbraw/zinc/96/72/86/1381967286.db2.gz LUJNPSGFQFQMGP-UHFFFAOYSA-N 2 2 334.423 3.402 20 0 EGADLP Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1ccn2cc[nH+]c2c1 ZINC001160092278 1381994556 /nfs/dbraw/zinc/99/45/56/1381994556.db2.gz PGZYFBIYMJYVHT-UHFFFAOYSA-N 2 2 339.418 3.193 20 0 EGADLP COc1cc(Nc2cccc(F)c2N2CCC([NH3+])CC2)cc(C)[nH+]1 ZINC001160108336 1381999384 /nfs/dbraw/zinc/99/93/84/1381999384.db2.gz JIALRBHMGGGFSD-UHFFFAOYSA-N 2 2 330.407 3.209 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001160533997 1382134527 /nfs/dbraw/zinc/13/45/27/1382134527.db2.gz FALOTOYAYUIMRK-MJGOQNOKSA-N 2 2 342.487 3.327 20 0 EGADLP O=C(NCCC[NH2+]Cc1ccc(C2CC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001160993321 1382265656 /nfs/dbraw/zinc/26/56/56/1382265656.db2.gz ZXMWRXPZTUGCNC-UHFFFAOYSA-N 2 2 348.450 3.350 20 0 EGADLP Cc1c[nH]c2nc[nH+]c(NC3CC[NH+](Cc4ccc(O)cc4)CC3)c12 ZINC001161130441 1382311910 /nfs/dbraw/zinc/31/19/10/1382311910.db2.gz MMXLLYAYGIDYOU-UHFFFAOYSA-N 2 2 337.427 3.048 20 0 EGADLP CC(C)CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356138 1382380976 /nfs/dbraw/zinc/38/09/76/1382380976.db2.gz CFYDJEVNPKPUQI-KRWDZBQOSA-N 2 2 332.492 3.019 20 0 EGADLP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356138 1382380978 /nfs/dbraw/zinc/38/09/78/1382380978.db2.gz CFYDJEVNPKPUQI-KRWDZBQOSA-N 2 2 332.492 3.019 20 0 EGADLP COC(=O)c1c[nH]c2nc[nH+]c(NCC[PH+](C(C)C)C(C)C)c12 ZINC001162362254 1382740478 /nfs/dbraw/zinc/74/04/78/1382740478.db2.gz XTYJKJBTDWRVMD-UHFFFAOYSA-N 2 2 336.376 3.407 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCc2ccccc2F)c(C)[nH+]1 ZINC001162910034 1382913472 /nfs/dbraw/zinc/91/34/72/1382913472.db2.gz HPHSQPBXABXGHI-UHFFFAOYSA-N 2 2 343.446 3.098 20 0 EGADLP c1ccc(-c2[nH]c3ccc(N[C@@H]4COCCC45C[NH2+]C5)cc3[nH+]2)cc1 ZINC001163078819 1382961480 /nfs/dbraw/zinc/96/14/80/1382961480.db2.gz HEQSPCIIXROALL-GOSISDBHSA-N 2 2 334.423 3.020 20 0 EGADLP COc1cc2[nH+]c(C)nc(N[C@H](C[NH3+])c3ccccc3)c2cc1OC ZINC001163293900 1383014076 /nfs/dbraw/zinc/01/40/76/1383014076.db2.gz BBCMJAABHJYVJF-MRXNPFEDSA-N 2 2 338.411 3.067 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334601 1383178367 /nfs/dbraw/zinc/17/83/67/1383178367.db2.gz HVGDXSQQEJTBMK-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCC1(C[NH2+]CCCC2CCCC2)CC1 ZINC001166473763 1383425637 /nfs/dbraw/zinc/42/56/37/1383425637.db2.gz FDVOVLMQZUYEOS-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001167429058 1383631618 /nfs/dbraw/zinc/63/16/18/1383631618.db2.gz PVXGCYIWRLZWFK-MRXNPFEDSA-N 2 2 334.508 3.147 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005434 1383795303 /nfs/dbraw/zinc/79/53/03/1383795303.db2.gz ITSDBTDKVBKIBW-OPVJXMOQSA-N 3 2 326.488 3.304 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005434 1383795307 /nfs/dbraw/zinc/79/53/07/1383795307.db2.gz ITSDBTDKVBKIBW-OPVJXMOQSA-N 3 2 326.488 3.304 20 0 EGADLP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009769 1383796000 /nfs/dbraw/zinc/79/60/00/1383796000.db2.gz IBRWFXNIONSBMX-GGPKGHCWSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009769 1383796005 /nfs/dbraw/zinc/79/60/05/1383796005.db2.gz IBRWFXNIONSBMX-GGPKGHCWSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1CC([NH2+][C@H](CO)c2cccnc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034707 1383801595 /nfs/dbraw/zinc/80/15/95/1383801595.db2.gz QTJSKCQRFIDTBV-CBGDNZLLSA-N 2 2 339.483 3.146 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCN(CCF)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064174 1383808261 /nfs/dbraw/zinc/80/82/61/1383808261.db2.gz OUBPOTTXBDAPJW-OPVJXMOQSA-N 2 2 333.495 3.015 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCN(CCF)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064174 1383808262 /nfs/dbraw/zinc/80/82/62/1383808262.db2.gz OUBPOTTXBDAPJW-OPVJXMOQSA-N 2 2 333.495 3.015 20 0 EGADLP C[C@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168321875 1383872743 /nfs/dbraw/zinc/87/27/43/1383872743.db2.gz LFEWPMBEKVEUDG-ZLPCBKJTSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168321875 1383872749 /nfs/dbraw/zinc/87/27/49/1383872749.db2.gz LFEWPMBEKVEUDG-ZLPCBKJTSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1nn2c(C[NH2+]C3CC[NH+](CC4CC4)CC3)c(C(C)C)nc2s1 ZINC001308207557 1384109214 /nfs/dbraw/zinc/10/92/14/1384109214.db2.gz DTULNBGJBMMQMB-UHFFFAOYSA-N 2 2 347.532 3.187 20 0 EGADLP CC1(C)C[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@](C)(C[NH3+])C1 ZINC001169142689 1384113267 /nfs/dbraw/zinc/11/32/67/1384113267.db2.gz NSSJPNZTLPLDPF-LPHOPBHVSA-N 2 2 327.476 3.282 20 0 EGADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148099 1384115058 /nfs/dbraw/zinc/11/50/58/1384115058.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 3 2 327.516 3.066 20 0 EGADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148099 1384115060 /nfs/dbraw/zinc/11/50/60/1384115060.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148099 1384115062 /nfs/dbraw/zinc/11/50/62/1384115062.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148099 1384115065 /nfs/dbraw/zinc/11/50/65/1384115065.db2.gz YSAMTNNOEGSPCT-CGXNFDGLSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc4c(c3)CCC4)[nH+]c2)C1 ZINC001308338309 1384120223 /nfs/dbraw/zinc/12/02/23/1384120223.db2.gz TWBJSMAMQUYZGD-HXUWFJFHSA-N 2 2 336.483 3.323 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001169241483 1384126366 /nfs/dbraw/zinc/12/63/66/1384126366.db2.gz LQGMJUCJJCXENM-UHFFFAOYSA-N 2 2 334.464 3.003 20 0 EGADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169291611 1384133112 /nfs/dbraw/zinc/13/31/12/1384133112.db2.gz CGVYCFBCSLCPJT-UHFFFAOYSA-N 2 2 339.439 3.175 20 0 EGADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(OC(=O)c3ccccc3)CC1)C2 ZINC001169291611 1384133114 /nfs/dbraw/zinc/13/31/14/1384133114.db2.gz CGVYCFBCSLCPJT-UHFFFAOYSA-N 2 2 339.439 3.175 20 0 EGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001308777743 1384149265 /nfs/dbraw/zinc/14/92/65/1384149265.db2.gz OCLJWGDRTSWKFK-HMXCVIKNSA-N 2 2 330.516 3.354 20 0 EGADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001308777743 1384149267 /nfs/dbraw/zinc/14/92/67/1384149267.db2.gz OCLJWGDRTSWKFK-HMXCVIKNSA-N 2 2 330.516 3.354 20 0 EGADLP Clc1ccc(-c2cn3cc(NC[C@@H]4COCC[NH2+]4)ccc3[nH+]2)cc1 ZINC001170045344 1384224557 /nfs/dbraw/zinc/22/45/57/1384224557.db2.gz SHFZGJRSERFCDL-MRXNPFEDSA-N 2 2 342.830 3.055 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl)ccn12 ZINC001170784990 1384384452 /nfs/dbraw/zinc/38/44/52/1384384452.db2.gz LGHUGRCOVOBCBC-BMWLXYDHSA-N 2 2 348.878 3.273 20 0 EGADLP Brc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001170863430 1384400883 /nfs/dbraw/zinc/40/08/83/1384400883.db2.gz OQNCBTHBTNNUPE-MSOLQXFVSA-N 2 2 349.316 3.380 20 0 EGADLP Brc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001170863430 1384400885 /nfs/dbraw/zinc/40/08/85/1384400885.db2.gz OQNCBTHBTNNUPE-MSOLQXFVSA-N 2 2 349.316 3.380 20 0 EGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)CC2 ZINC001170910315 1384409475 /nfs/dbraw/zinc/40/94/75/1384409475.db2.gz DPTJCIIAMDFZFS-ZWKOTPCHSA-N 2 2 348.918 3.288 20 0 EGADLP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)CC2 ZINC001170910315 1384409477 /nfs/dbraw/zinc/40/94/77/1384409477.db2.gz DPTJCIIAMDFZFS-ZWKOTPCHSA-N 2 2 348.918 3.288 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001171151783 1384455324 /nfs/dbraw/zinc/45/53/24/1384455324.db2.gz KIDORUKXPVZTHF-DLBZAZTESA-N 2 2 342.487 3.368 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001171151783 1384455325 /nfs/dbraw/zinc/45/53/25/1384455325.db2.gz KIDORUKXPVZTHF-DLBZAZTESA-N 2 2 342.487 3.368 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360177 1384501657 /nfs/dbraw/zinc/50/16/57/1384501657.db2.gz XKWMYBRRRXAWNB-ARFHVFGLSA-N 2 2 334.508 3.214 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360177 1384501658 /nfs/dbraw/zinc/50/16/58/1384501658.db2.gz XKWMYBRRRXAWNB-ARFHVFGLSA-N 2 2 334.508 3.214 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171543449 1384558304 /nfs/dbraw/zinc/55/83/04/1384558304.db2.gz JXAVATUBJPEYTJ-OLZOCXBDSA-N 2 2 335.373 3.497 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566713 1384565368 /nfs/dbraw/zinc/56/53/68/1384565368.db2.gz KUWUYFYTKNBIAM-FKBYEOEOSA-N 2 2 347.506 3.311 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCC(C(=O)C(F)(F)F)CC2)CC1(C)C ZINC001171639806 1384588673 /nfs/dbraw/zinc/58/86/73/1384588673.db2.gz UQPLDEJFTDCWLQ-UHFFFAOYSA-N 2 2 334.426 3.481 20 0 EGADLP C[C@H]1C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171764157 1384629049 /nfs/dbraw/zinc/62/90/49/1384629049.db2.gz RFUGFSVJPDVTGP-FUHWJXTLSA-N 2 2 349.469 3.065 20 0 EGADLP C[C@H]1C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171764157 1384629056 /nfs/dbraw/zinc/62/90/56/1384629056.db2.gz RFUGFSVJPDVTGP-FUHWJXTLSA-N 2 2 349.469 3.065 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171880029 1384669876 /nfs/dbraw/zinc/66/98/76/1384669876.db2.gz KOSNPZXKMLXXMK-PMACEKPBSA-N 2 2 343.515 3.001 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001171880029 1384669878 /nfs/dbraw/zinc/66/98/78/1384669878.db2.gz KOSNPZXKMLXXMK-PMACEKPBSA-N 2 2 343.515 3.001 20 0 EGADLP CCOC(=O)C1(C)CCC(n2c[nH+]c(C)c2CSCC[NH3+])CC1 ZINC001171940246 1384689544 /nfs/dbraw/zinc/68/95/44/1384689544.db2.gz NYSXUVQFMBDNOS-UHFFFAOYSA-N 2 2 339.505 3.068 20 0 EGADLP CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC001172078189 1384721226 /nfs/dbraw/zinc/72/12/26/1384721226.db2.gz MNCRSQCGGKZFOL-BJWYYQGGSA-N 2 2 348.491 3.183 20 0 EGADLP CC(=O)[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081456 1384722271 /nfs/dbraw/zinc/72/22/71/1384722271.db2.gz FVPLDPKYPLPDBV-BURNTYAHSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081456 1384722273 /nfs/dbraw/zinc/72/22/73/1384722273.db2.gz FVPLDPKYPLPDBV-BURNTYAHSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081456 1384722276 /nfs/dbraw/zinc/72/22/76/1384722276.db2.gz FVPLDPKYPLPDBV-BURNTYAHSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172081456 1384722279 /nfs/dbraw/zinc/72/22/79/1384722279.db2.gz FVPLDPKYPLPDBV-BURNTYAHSA-N 2 2 326.484 3.483 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732743 /nfs/dbraw/zinc/73/27/43/1384732743.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 3 2 345.556 3.127 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732746 /nfs/dbraw/zinc/73/27/46/1384732746.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 3 2 345.556 3.127 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732749 /nfs/dbraw/zinc/73/27/49/1384732749.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 3 2 345.556 3.127 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116029 1384732753 /nfs/dbraw/zinc/73/27/53/1384732753.db2.gz CUDYMZUHIVJSKW-QZKQXFQVSA-N 3 2 345.556 3.127 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120132 1384733516 /nfs/dbraw/zinc/73/35/16/1384733516.db2.gz CWILXOFGLKFJQC-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120132 1384733518 /nfs/dbraw/zinc/73/35/18/1384733518.db2.gz CWILXOFGLKFJQC-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120132 1384733520 /nfs/dbraw/zinc/73/35/20/1384733520.db2.gz CWILXOFGLKFJQC-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](Cc1cccnc1)Cc1ccccn1)C2 ZINC001172120132 1384733523 /nfs/dbraw/zinc/73/35/23/1384733523.db2.gz CWILXOFGLKFJQC-WKCHPHFGSA-N 2 2 336.483 3.494 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120990 1384735163 /nfs/dbraw/zinc/73/51/63/1384735163.db2.gz BADJPGDPNADHQT-ZSHCYNCHSA-N 2 2 348.512 3.298 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172120990 1384735164 /nfs/dbraw/zinc/73/51/64/1384735164.db2.gz BADJPGDPNADHQT-ZSHCYNCHSA-N 2 2 348.512 3.298 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172120990 1384735166 /nfs/dbraw/zinc/73/51/66/1384735166.db2.gz BADJPGDPNADHQT-ZSHCYNCHSA-N 2 2 348.512 3.298 20 0 EGADLP CCOC(=O)c1cc2c(s1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172120990 1384735168 /nfs/dbraw/zinc/73/51/68/1384735168.db2.gz BADJPGDPNADHQT-ZSHCYNCHSA-N 2 2 348.512 3.298 20 0 EGADLP CC(C)COCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172473198 1384800863 /nfs/dbraw/zinc/80/08/63/1384800863.db2.gz SEFZTTZRSYWVHK-NRSPTQNISA-N 2 2 345.531 3.287 20 0 EGADLP CC(C)COCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172473198 1384800865 /nfs/dbraw/zinc/80/08/65/1384800865.db2.gz SEFZTTZRSYWVHK-NRSPTQNISA-N 2 2 345.531 3.287 20 0 EGADLP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172473198 1384800869 /nfs/dbraw/zinc/80/08/69/1384800869.db2.gz SEFZTTZRSYWVHK-NRSPTQNISA-N 2 2 345.531 3.287 20 0 EGADLP CC(C)COCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172473198 1384800873 /nfs/dbraw/zinc/80/08/73/1384800873.db2.gz SEFZTTZRSYWVHK-NRSPTQNISA-N 2 2 345.531 3.287 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172599170 1384816504 /nfs/dbraw/zinc/81/65/04/1384816504.db2.gz ADXAPEVCIDNRPP-AABGKKOBSA-N 2 2 344.499 3.015 20 0 EGADLP Cc1cc(N2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)nc(C)[nH+]1 ZINC001172719465 1384836520 /nfs/dbraw/zinc/83/65/20/1384836520.db2.gz OARSMGAKEMZHSS-GOSISDBHSA-N 2 2 342.874 3.036 20 0 EGADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001172726775 1384840111 /nfs/dbraw/zinc/84/01/11/1384840111.db2.gz FBKRRTHYCJRDLV-PMACEKPBSA-N 2 2 327.516 3.291 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001172964001 1384891338 /nfs/dbraw/zinc/89/13/38/1384891338.db2.gz MJYYLBOVFAJGCJ-CQSZACIVSA-N 2 2 332.448 3.069 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068849 1384906677 /nfs/dbraw/zinc/90/66/77/1384906677.db2.gz HFZNDDNEWAEHAO-WBVHZDCISA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068849 1384906682 /nfs/dbraw/zinc/90/66/82/1384906682.db2.gz HFZNDDNEWAEHAO-WBVHZDCISA-N 2 2 339.524 3.191 20 0 EGADLP COC(=O)CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001173445159 1384972161 /nfs/dbraw/zinc/97/21/61/1384972161.db2.gz LCWJHFXGPIRIPB-MRXNPFEDSA-N 2 2 348.487 3.068 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001173649209 1384995626 /nfs/dbraw/zinc/99/56/26/1384995626.db2.gz MMKWPVRKVWVCFR-OALUTQOASA-N 2 2 348.531 3.449 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173649209 1384995629 /nfs/dbraw/zinc/99/56/29/1384995629.db2.gz MMKWPVRKVWVCFR-OALUTQOASA-N 2 2 348.531 3.449 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661776 1384997910 /nfs/dbraw/zinc/99/79/10/1384997910.db2.gz SRSHUBSRJZMPBS-PKOBYXMFSA-N 2 2 341.455 3.426 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661776 1384997914 /nfs/dbraw/zinc/99/79/14/1384997914.db2.gz SRSHUBSRJZMPBS-PKOBYXMFSA-N 2 2 341.455 3.426 20 0 EGADLP COC(=O)c1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001173709110 1385006347 /nfs/dbraw/zinc/00/63/47/1385006347.db2.gz LNHNSLFIGSILHF-MRXNPFEDSA-N 2 2 349.434 3.380 20 0 EGADLP CC(=O)Oc1ccc(C2CCC([NH2+]CCc3[nH+]ccn3C)CC2)cc1 ZINC001173790398 1385017377 /nfs/dbraw/zinc/01/73/77/1385017377.db2.gz DZVTVXVGDRJFKC-UHFFFAOYSA-N 2 2 341.455 3.204 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001317290741 1385063928 /nfs/dbraw/zinc/06/39/28/1385063928.db2.gz SXHQZIVXOQUIJP-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349928 1385099448 /nfs/dbraw/zinc/09/94/48/1385099448.db2.gz INOQLKOQWINQDB-ROUUACIJSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001317349928 1385099453 /nfs/dbraw/zinc/09/94/53/1385099453.db2.gz INOQLKOQWINQDB-ROUUACIJSA-N 2 2 346.519 3.330 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462147 1385298976 /nfs/dbraw/zinc/29/89/76/1385298976.db2.gz ROZZFQVNAOSDGJ-CQSZACIVSA-N 2 2 348.878 3.070 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001175461718 1385299409 /nfs/dbraw/zinc/29/94/09/1385299409.db2.gz PNKHGDGRZCZOMG-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175637560 1385359174 /nfs/dbraw/zinc/35/91/74/1385359174.db2.gz BZQURBIBJPZVMV-JKSUJKDBSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175637560 1385359177 /nfs/dbraw/zinc/35/91/77/1385359177.db2.gz BZQURBIBJPZVMV-JKSUJKDBSA-N 2 2 348.535 3.289 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880933 1385428409 /nfs/dbraw/zinc/42/84/09/1385428409.db2.gz IDOZMTFJXFFAGX-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP CC[NH+](CC)CCOC(=O)c1ccc(Nc2c[nH+]ccc2OC)cc1 ZINC001176123111 1385490999 /nfs/dbraw/zinc/49/09/99/1385490999.db2.gz NBOKKNYWFAUQRZ-UHFFFAOYSA-N 2 2 343.427 3.332 20 0 EGADLP C[NH+](C)Cc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001176292610 1385541636 /nfs/dbraw/zinc/54/16/36/1385541636.db2.gz XOVLDJKSMNIZDT-UHFFFAOYSA-N 2 2 325.456 3.324 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176391732 1385574116 /nfs/dbraw/zinc/57/41/16/1385574116.db2.gz GSOFSBZFZRZACS-QGZVFWFLSA-N 2 2 336.524 3.198 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC001318552892 1385752001 /nfs/dbraw/zinc/75/20/01/1385752001.db2.gz JJLVFBRPEFWJFT-ZFWWWQNUSA-N 2 2 328.416 3.110 20 0 EGADLP C[C@@H](CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)n1cc[nH+]c1 ZINC001177430972 1385953547 /nfs/dbraw/zinc/95/35/47/1385953547.db2.gz FPQHEJLDSQRGEA-KRWDZBQOSA-N 2 2 346.519 3.243 20 0 EGADLP O=C(Cc1c[nH+]c[nH]1)N(CCC[NH2+]CC1CCCC1)CC1CCCC1 ZINC001177430920 1385953866 /nfs/dbraw/zinc/95/38/66/1385953866.db2.gz CGYJVPPWQGBUCW-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1cccc(Cl)c1 ZINC001319252235 1386026367 /nfs/dbraw/zinc/02/63/67/1386026367.db2.gz YSUMWJSBYJHBDO-GJZGRUSLSA-N 2 2 348.878 3.030 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Cl ZINC001177749415 1386033273 /nfs/dbraw/zinc/03/32/73/1386033273.db2.gz UBDBZRNUIKSRAV-QWHCGFSZSA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1Cl ZINC001177749415 1386033274 /nfs/dbraw/zinc/03/32/74/1386033274.db2.gz UBDBZRNUIKSRAV-QWHCGFSZSA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1Cl ZINC001177749416 1386033314 /nfs/dbraw/zinc/03/33/14/1386033314.db2.gz UBDBZRNUIKSRAV-STQMWFEESA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1Cl ZINC001177749416 1386033317 /nfs/dbraw/zinc/03/33/17/1386033317.db2.gz UBDBZRNUIKSRAV-STQMWFEESA-N 2 2 348.796 3.312 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)CC(C)C ZINC001319636373 1386224603 /nfs/dbraw/zinc/22/46/03/1386224603.db2.gz QZIOSVIHWSAJSU-QAPCUYQASA-N 2 2 342.487 3.142 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCC[NH2+]C/C=C/Cl)ccn12 ZINC001178483654 1386230758 /nfs/dbraw/zinc/23/07/58/1386230758.db2.gz HDZZTFBSHBNFDN-SOFGYWHQSA-N 2 2 348.878 3.275 20 0 EGADLP CC[C@H](F)C[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178484116 1386231897 /nfs/dbraw/zinc/23/18/97/1386231897.db2.gz PEYIFVNPGQZNCQ-KRWDZBQOSA-N 2 2 348.466 3.271 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319707402 1386260955 /nfs/dbraw/zinc/26/09/55/1386260955.db2.gz PYEQFEBLHGWTFT-CQSZACIVSA-N 2 2 347.894 3.416 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001319707402 1386260957 /nfs/dbraw/zinc/26/09/57/1386260957.db2.gz PYEQFEBLHGWTFT-CQSZACIVSA-N 2 2 347.894 3.416 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823159 1386318538 /nfs/dbraw/zinc/31/85/38/1386318538.db2.gz KXNGQZAKKZPIKV-UHFFFAOYSA-N 2 2 328.460 3.409 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178881474 1386338098 /nfs/dbraw/zinc/33/80/98/1386338098.db2.gz XPCVXOHDMYMLPQ-KRWDZBQOSA-N 2 2 346.519 3.055 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178881474 1386338112 /nfs/dbraw/zinc/33/81/12/1386338112.db2.gz XPCVXOHDMYMLPQ-KRWDZBQOSA-N 2 2 346.519 3.055 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179179991 1386419633 /nfs/dbraw/zinc/41/96/33/1386419633.db2.gz LPNKNNHXQUQITE-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179517589 1386504032 /nfs/dbraw/zinc/50/40/32/1386504032.db2.gz RGCGXEKFTZRZMO-XHSDSOJGSA-N 2 2 346.519 3.235 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001320145246 1386534082 /nfs/dbraw/zinc/53/40/82/1386534082.db2.gz KXUIFROOQSHVBB-KRWDZBQOSA-N 2 2 339.439 3.253 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001320145246 1386534087 /nfs/dbraw/zinc/53/40/87/1386534087.db2.gz KXUIFROOQSHVBB-KRWDZBQOSA-N 2 2 339.439 3.253 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)c(C)s1 ZINC001179692823 1386555898 /nfs/dbraw/zinc/55/58/98/1386555898.db2.gz OCMQTOPAVDGVHM-UHFFFAOYSA-N 2 2 348.516 3.097 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705470 1386560713 /nfs/dbraw/zinc/56/07/13/1386560713.db2.gz FSKXDSIAJOLKMS-SHCNBLLESA-N 2 2 334.508 3.457 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001321599634 1386937949 /nfs/dbraw/zinc/93/79/49/1386937949.db2.gz HIKXSHDFDRZUEI-IAGOWNOFSA-N 2 2 348.450 3.341 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001181646997 1387030727 /nfs/dbraw/zinc/03/07/27/1387030727.db2.gz RVMPCUACCXWAIK-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001181646997 1387030734 /nfs/dbraw/zinc/03/07/34/1387030734.db2.gz RVMPCUACCXWAIK-WMZOPIPTSA-N 2 2 332.488 3.218 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182767774 1387220918 /nfs/dbraw/zinc/22/09/18/1387220918.db2.gz KSIDGCIVGSUPPS-QWFCFKBJSA-N 2 2 348.535 3.489 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001322861205 1387248425 /nfs/dbraw/zinc/24/84/25/1387248425.db2.gz HOMIRBCWLPLNOL-AWEZNQCLSA-N 2 2 345.468 3.315 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001322861205 1387248430 /nfs/dbraw/zinc/24/84/30/1387248430.db2.gz HOMIRBCWLPLNOL-AWEZNQCLSA-N 2 2 345.468 3.315 20 0 EGADLP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccccc1C)[NH+]1CCOCC1 ZINC001330027977 1389288316 /nfs/dbraw/zinc/28/83/16/1389288316.db2.gz SOFPFMWRAAWZEP-SFHVURJKSA-N 2 2 332.492 3.068 20 0 EGADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001338019776 1389519343 /nfs/dbraw/zinc/51/93/43/1389519343.db2.gz FLSCXIYKBILXCZ-SJLPKXTDSA-N 2 2 349.544 3.218 20 0 EGADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001338019776 1389519344 /nfs/dbraw/zinc/51/93/44/1389519344.db2.gz FLSCXIYKBILXCZ-SJLPKXTDSA-N 2 2 349.544 3.218 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001338949853 1389838238 /nfs/dbraw/zinc/83/82/38/1389838238.db2.gz RNTKQWXQVZYDBH-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001338949853 1389838242 /nfs/dbraw/zinc/83/82/42/1389838242.db2.gz RNTKQWXQVZYDBH-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H]([NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC001332839452 1390197967 /nfs/dbraw/zinc/19/79/67/1390197967.db2.gz XTDGHGPAOYOHBA-WMZOPIPTSA-N 2 2 342.487 3.155 20 0 EGADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001342756445 1390650113 /nfs/dbraw/zinc/65/01/13/1390650113.db2.gz XOXKEAFBABWZST-AWEZNQCLSA-N 2 2 344.459 3.018 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001343355345 1390709073 /nfs/dbraw/zinc/70/90/73/1390709073.db2.gz YRGNGHIFWNHOGW-GOEBONIOSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001343355345 1390709074 /nfs/dbraw/zinc/70/90/74/1390709074.db2.gz YRGNGHIFWNHOGW-GOEBONIOSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001343355345 1390709076 /nfs/dbraw/zinc/70/90/76/1390709076.db2.gz YRGNGHIFWNHOGW-GOEBONIOSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC001343355345 1390709077 /nfs/dbraw/zinc/70/90/77/1390709077.db2.gz YRGNGHIFWNHOGW-GOEBONIOSA-N 2 2 336.549 3.214 20 0 EGADLP COCn1ncc(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001343648052 1390728610 /nfs/dbraw/zinc/72/86/10/1390728610.db2.gz UJUVAKICRIXAFM-QGZVFWFLSA-N 2 2 342.487 3.111 20 0 EGADLP [NH3+]CCCCCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001346105115 1390908038 /nfs/dbraw/zinc/90/80/38/1390908038.db2.gz SBYVCZAGEWQZCV-UHFFFAOYSA-N 2 2 343.475 3.006 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001480486339 1392766709 /nfs/dbraw/zinc/76/67/09/1392766709.db2.gz KIPZAMXJJODLDJ-STQMWFEESA-N 2 2 340.402 3.171 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl)c(C)[nH+]1 ZINC001480781815 1392929711 /nfs/dbraw/zinc/92/97/11/1392929711.db2.gz SZSYSVFERKBTIY-LLVKDONJSA-N 2 2 344.286 3.424 20 0 EGADLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccccc1C ZINC001480982955 1393066019 /nfs/dbraw/zinc/06/60/19/1393066019.db2.gz LWVKICFSRIHUJV-UHFFFAOYSA-N 2 2 336.439 3.123 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccccc1C ZINC001480982955 1393066022 /nfs/dbraw/zinc/06/60/22/1393066022.db2.gz LWVKICFSRIHUJV-UHFFFAOYSA-N 2 2 336.439 3.123 20 0 EGADLP CN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001481245896 1393153087 /nfs/dbraw/zinc/15/30/87/1393153087.db2.gz ISHNPBFQXXNMLY-LJQANCHMSA-N 2 2 348.450 3.302 20 0 EGADLP C[C@H]([NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001481262544 1393154852 /nfs/dbraw/zinc/15/48/52/1393154852.db2.gz BPMBXHBXEHXIIK-KRWDZBQOSA-N 2 2 348.450 3.295 20 0 EGADLP CC(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698946737 1406686645 /nfs/dbraw/zinc/68/66/45/1406686645.db2.gz QCQJSXINLHPSPI-RDTXWAMCSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514961 1394362078 /nfs/dbraw/zinc/36/20/78/1394362078.db2.gz VRRDPHGJAPZXGQ-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514961 1394362085 /nfs/dbraw/zinc/36/20/85/1394362085.db2.gz VRRDPHGJAPZXGQ-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514961 1394362090 /nfs/dbraw/zinc/36/20/90/1394362090.db2.gz VRRDPHGJAPZXGQ-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514961 1394362095 /nfs/dbraw/zinc/36/20/95/1394362095.db2.gz VRRDPHGJAPZXGQ-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC1CC(C[NH2+]C[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)C1 ZINC001481934185 1394602813 /nfs/dbraw/zinc/60/28/13/1394602813.db2.gz XLZKDMOCFZPKDH-RUZSNYSVSA-N 2 2 340.471 3.097 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001482048239 1394710978 /nfs/dbraw/zinc/71/09/78/1394710978.db2.gz JOAYCEOLSVINLP-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCC1CC1 ZINC001698968194 1406728578 /nfs/dbraw/zinc/72/85/78/1406728578.db2.gz SHSMOFBEPCBOQG-LJQANCHMSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001495203700 1396524029 /nfs/dbraw/zinc/52/40/29/1396524029.db2.gz YXXKRWYVXMBYEB-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001495203700 1396524032 /nfs/dbraw/zinc/52/40/32/1396524032.db2.gz YXXKRWYVXMBYEB-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001496349498 1396660239 /nfs/dbraw/zinc/66/02/39/1396660239.db2.gz CRXFRQPVHZNXQG-PBHICJAKSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@@H](C[N@H+](C)CC1CCCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498465878 1397014619 /nfs/dbraw/zinc/01/46/19/1397014619.db2.gz MTJYFCIJSCRQEU-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498465878 1397014623 /nfs/dbraw/zinc/01/46/23/1397014623.db2.gz MTJYFCIJSCRQEU-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP CCc1ccc(C[NH2+][C@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001690605154 1404648421 /nfs/dbraw/zinc/64/84/21/1404648421.db2.gz ZJRWKGVBBWQWSZ-MRXNPFEDSA-N 2 2 339.483 3.477 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001690846991 1404774672 /nfs/dbraw/zinc/77/46/72/1404774672.db2.gz XLHGAJYFVKEMJF-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC001690846991 1404774674 /nfs/dbraw/zinc/77/46/74/1404774674.db2.gz XLHGAJYFVKEMJF-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001690991247 1404909551 /nfs/dbraw/zinc/90/95/51/1404909551.db2.gz TVHLQCJXIPQUMO-KRWDZBQOSA-N 2 2 348.878 3.113 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001690991247 1404909554 /nfs/dbraw/zinc/90/95/54/1404909554.db2.gz TVHLQCJXIPQUMO-KRWDZBQOSA-N 2 2 348.878 3.113 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC001691022731 1404935544 /nfs/dbraw/zinc/93/55/44/1404935544.db2.gz ZQKUIXWTKIRVAC-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1ccc(Cl)cc1 ZINC001691022731 1404935547 /nfs/dbraw/zinc/93/55/47/1404935547.db2.gz ZQKUIXWTKIRVAC-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1ccc(Cl)cc1 ZINC001691022731 1404935549 /nfs/dbraw/zinc/93/55/49/1404935549.db2.gz ZQKUIXWTKIRVAC-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1ccc(Cl)cc1 ZINC001691022731 1404935551 /nfs/dbraw/zinc/93/55/51/1404935551.db2.gz ZQKUIXWTKIRVAC-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1Cl ZINC001691495614 1405303579 /nfs/dbraw/zinc/30/35/79/1405303579.db2.gz PYUVBRDHSNVLDT-LSDHHAIUSA-N 2 2 348.878 3.297 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001691864074 1405582040 /nfs/dbraw/zinc/58/20/40/1405582040.db2.gz FRKLIBNJBMPLGJ-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001691864074 1405582042 /nfs/dbraw/zinc/58/20/42/1405582042.db2.gz FRKLIBNJBMPLGJ-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731776131 1427892767 /nfs/dbraw/zinc/89/27/67/1427892767.db2.gz NXAUWSOZBGYFEY-OAHLLOKOSA-N 2 2 336.439 3.294 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731776131 1427892769 /nfs/dbraw/zinc/89/27/69/1427892769.db2.gz NXAUWSOZBGYFEY-OAHLLOKOSA-N 2 2 336.439 3.294 20 0 EGADLP C[NH+](C)[C@H](C(=O)NC1C[NH+](CC2CCCCCC2)C1)c1ccccc1 ZINC001692266582 1405897532 /nfs/dbraw/zinc/89/75/32/1405897532.db2.gz LSXXYHOPBLMZAD-FQEVSTJZSA-N 2 2 343.515 3.060 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NC1C[NH+](C[C@@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115666 1428368650 /nfs/dbraw/zinc/36/86/50/1428368650.db2.gz SBZHWYUECGTPQL-PXNSSMCTSA-N 2 2 345.531 3.162 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NC1C[NH+](C[C@@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115666 1428368654 /nfs/dbraw/zinc/36/86/54/1428368654.db2.gz SBZHWYUECGTPQL-PXNSSMCTSA-N 2 2 345.531 3.162 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]Cc2ccc(F)cc2)c(C)[nH+]1 ZINC001699372072 1412678642 /nfs/dbraw/zinc/67/86/42/1412678642.db2.gz NCVKJNBYSCXKMW-CQSZACIVSA-N 2 2 329.419 3.054 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001732560364 1428749902 /nfs/dbraw/zinc/74/99/02/1428749902.db2.gz XNVYWXGHACORAR-QFBILLFUSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001732560364 1428749904 /nfs/dbraw/zinc/74/99/04/1428749904.db2.gz XNVYWXGHACORAR-QFBILLFUSA-N 2 2 342.487 3.142 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461101 1414059216 /nfs/dbraw/zinc/05/92/16/1414059216.db2.gz OCTWWVCNEKXMLE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461101 1414059220 /nfs/dbraw/zinc/05/92/20/1414059220.db2.gz OCTWWVCNEKXMLE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461101 1414059224 /nfs/dbraw/zinc/05/92/24/1414059224.db2.gz OCTWWVCNEKXMLE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461101 1414059229 /nfs/dbraw/zinc/05/92/29/1414059229.db2.gz OCTWWVCNEKXMLE-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)C/C=C\c1ccccc1 ZINC001700467253 1414077050 /nfs/dbraw/zinc/07/70/50/1414077050.db2.gz RIPFTCCAULMMKP-CXOKCQFOSA-N 2 2 348.450 3.326 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)C/C=C\c1ccccc1 ZINC001700467253 1414077059 /nfs/dbraw/zinc/07/70/59/1414077059.db2.gz RIPFTCCAULMMKP-CXOKCQFOSA-N 2 2 348.450 3.326 20 0 EGADLP C[C@@H](CC(=O)N1CCC([N@H+](C)CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001700696711 1414354610 /nfs/dbraw/zinc/35/46/10/1414354610.db2.gz MVQQQHBCXZDVCJ-KRWDZBQOSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001700696711 1414354614 /nfs/dbraw/zinc/35/46/14/1414354614.db2.gz MVQQQHBCXZDVCJ-KRWDZBQOSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]Cc1ccccc1 ZINC001700762084 1414434836 /nfs/dbraw/zinc/43/48/36/1414434836.db2.gz FWESKIOROAROTH-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)c1ccccc1 ZINC001700995349 1414643134 /nfs/dbraw/zinc/64/31/34/1414643134.db2.gz PABUQWQUXKPXGD-IAGOWNOFSA-N 2 2 342.487 3.224 20 0 EGADLP CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001712996491 1417548300 /nfs/dbraw/zinc/54/83/00/1417548300.db2.gz LTWDXAAOORCLHJ-RDJZCZTQSA-N 2 2 328.460 3.026 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713093954 1417641980 /nfs/dbraw/zinc/64/19/80/1417641980.db2.gz ASYHLKORDDIKBT-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713093954 1417641984 /nfs/dbraw/zinc/64/19/84/1417641984.db2.gz ASYHLKORDDIKBT-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275045 1417892874 /nfs/dbraw/zinc/89/28/74/1417892874.db2.gz DDJCTDGCAOPPOZ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275045 1417892877 /nfs/dbraw/zinc/89/28/77/1417892877.db2.gz DDJCTDGCAOPPOZ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275045 1417892880 /nfs/dbraw/zinc/89/28/80/1417892880.db2.gz DDJCTDGCAOPPOZ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275045 1417892883 /nfs/dbraw/zinc/89/28/83/1417892883.db2.gz DDJCTDGCAOPPOZ-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275044 1417893793 /nfs/dbraw/zinc/89/37/93/1417893793.db2.gz DDJCTDGCAOPPOZ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275044 1417893796 /nfs/dbraw/zinc/89/37/96/1417893796.db2.gz DDJCTDGCAOPPOZ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275044 1417893808 /nfs/dbraw/zinc/89/38/08/1417893808.db2.gz DDJCTDGCAOPPOZ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275044 1417893814 /nfs/dbraw/zinc/89/38/14/1417893814.db2.gz DDJCTDGCAOPPOZ-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001713311757 1417935912 /nfs/dbraw/zinc/93/59/12/1417935912.db2.gz XPNFRKQFBPQNLM-HUUCEWRRSA-N 2 2 330.476 3.033 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(F)cc1 ZINC001713320401 1417945003 /nfs/dbraw/zinc/94/50/03/1417945003.db2.gz UCGACJHBKPDPIB-QWHCGFSZSA-N 2 2 340.402 3.171 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001713383272 1417993916 /nfs/dbraw/zinc/99/39/16/1417993916.db2.gz XUMPNKSINNQDKH-OALUTQOASA-N 2 2 346.519 3.261 20 0 EGADLP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)[C@H](C)c1ccccc1 ZINC001713488718 1418184747 /nfs/dbraw/zinc/18/47/47/1418184747.db2.gz OOCZDYVDJNRZRI-MRXNPFEDSA-N 2 2 336.439 3.147 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)[C@H](C)c1ccccc1 ZINC001713488718 1418184750 /nfs/dbraw/zinc/18/47/50/1418184750.db2.gz OOCZDYVDJNRZRI-MRXNPFEDSA-N 2 2 336.439 3.147 20 0 EGADLP O=C(N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001733174326 1429276318 /nfs/dbraw/zinc/27/63/18/1429276318.db2.gz HGXYSYLSEVYUHG-IBGZPJMESA-N 2 2 340.471 3.241 20 0 EGADLP CC(C)(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001713915437 1418710883 /nfs/dbraw/zinc/71/08/83/1418710883.db2.gz XIEWOLRCWNEDMR-HDICACEKSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001713915437 1418710884 /nfs/dbraw/zinc/71/08/84/1418710884.db2.gz XIEWOLRCWNEDMR-HDICACEKSA-N 2 2 346.519 3.165 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001714080915 1418874735 /nfs/dbraw/zinc/87/47/35/1418874735.db2.gz SUYDNUFJVFIYSM-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP O=C(N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)c1cccc2[nH+]ccn21 ZINC001714979970 1419714955 /nfs/dbraw/zinc/71/49/55/1419714955.db2.gz WQHNCSUWCSZQEC-KRWDZBQOSA-N 2 2 340.471 3.013 20 0 EGADLP O=C(N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001714981647 1419716440 /nfs/dbraw/zinc/71/64/40/1419716440.db2.gz YUHIWHXVTQPXSJ-IBGZPJMESA-N 2 2 340.471 3.241 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001715185796 1419918720 /nfs/dbraw/zinc/91/87/20/1419918720.db2.gz PNXMCGXQVGIJFE-BZSNNMDCSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001715958335 1420424728 /nfs/dbraw/zinc/42/47/28/1420424728.db2.gz QYNMNZWTQYUMAL-ODIFPOPNSA-N 2 2 348.535 3.207 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]Cc2ccc(C)c(F)c2)c(C)[nH+]1 ZINC001716405890 1420638266 /nfs/dbraw/zinc/63/82/66/1420638266.db2.gz XZARPUARHKYQKS-OAHLLOKOSA-N 2 2 343.446 3.362 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(F)cc1 ZINC001716442935 1420661694 /nfs/dbraw/zinc/66/16/94/1420661694.db2.gz KCBFJZBESFERGE-QWHCGFSZSA-N 2 2 340.402 3.171 20 0 EGADLP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001716715498 1420871474 /nfs/dbraw/zinc/87/14/74/1420871474.db2.gz XKONDDULHPCNNE-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001716715498 1420871477 /nfs/dbraw/zinc/87/14/77/1420871477.db2.gz XKONDDULHPCNNE-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001716715498 1420871480 /nfs/dbraw/zinc/87/14/80/1420871480.db2.gz XKONDDULHPCNNE-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001716715498 1420871482 /nfs/dbraw/zinc/87/14/82/1420871482.db2.gz XKONDDULHPCNNE-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001724657290 1425024390 /nfs/dbraw/zinc/02/43/90/1425024390.db2.gz PAZDCPNNWRFIBP-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001724657290 1425024392 /nfs/dbraw/zinc/02/43/92/1425024392.db2.gz PAZDCPNNWRFIBP-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001725590260 1426245549 /nfs/dbraw/zinc/24/55/49/1426245549.db2.gz KNWLVMOUTAFKTR-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001731508203 1427496526 /nfs/dbraw/zinc/49/65/26/1427496526.db2.gz ZHHINVFWAQIFGZ-SFHVURJKSA-N 2 2 348.535 3.318 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001731508203 1427496528 /nfs/dbraw/zinc/49/65/28/1427496528.db2.gz ZHHINVFWAQIFGZ-SFHVURJKSA-N 2 2 348.535 3.318 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)c1ccccc1 ZINC001734023822 1437812256 /nfs/dbraw/zinc/81/22/56/1437812256.db2.gz QMVUUJOEQXIDAI-HNNXBMFYSA-N 2 2 342.487 3.096 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752508245 1440189739 /nfs/dbraw/zinc/18/97/39/1440189739.db2.gz PFUWKXHGCMUCEY-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752508245 1440189740 /nfs/dbraw/zinc/18/97/40/1440189740.db2.gz PFUWKXHGCMUCEY-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752508245 1440189741 /nfs/dbraw/zinc/18/97/41/1440189741.db2.gz PFUWKXHGCMUCEY-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752508245 1440189742 /nfs/dbraw/zinc/18/97/42/1440189742.db2.gz PFUWKXHGCMUCEY-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H]([NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001752850083 1440233395 /nfs/dbraw/zinc/23/33/95/1440233395.db2.gz JRFQODMQGCQFMO-FAEJEUNOSA-N 2 2 340.471 3.121 20 0 EGADLP C[C@@H]([NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC001752850083 1440233396 /nfs/dbraw/zinc/23/33/96/1440233396.db2.gz JRFQODMQGCQFMO-FAEJEUNOSA-N 2 2 340.471 3.121 20 0 EGADLP Cc1cccc(Cl)c1C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001752906631 1440244312 /nfs/dbraw/zinc/24/43/12/1440244312.db2.gz NNMBNKNKGFKMKJ-LSDHHAIUSA-N 2 2 348.878 3.091 20 0 EGADLP Cc1cc(Cl)ccc1C[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753068119 1440286489 /nfs/dbraw/zinc/28/64/89/1440286489.db2.gz RHMLFKQNFYQVDL-OAHLLOKOSA-N 2 2 348.878 3.044 20 0 EGADLP Cc1cc(Cl)ccc1C[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753068119 1440286490 /nfs/dbraw/zinc/28/64/90/1440286490.db2.gz RHMLFKQNFYQVDL-OAHLLOKOSA-N 2 2 348.878 3.044 20 0 EGADLP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001753351683 1440378048 /nfs/dbraw/zinc/37/80/48/1440378048.db2.gz YGZMYDZXNQGWMD-KRWDZBQOSA-N 2 2 342.487 3.309 20 0 EGADLP CCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001753351683 1440378049 /nfs/dbraw/zinc/37/80/49/1440378049.db2.gz YGZMYDZXNQGWMD-KRWDZBQOSA-N 2 2 342.487 3.309 20 0 EGADLP C[C@H](CC(=O)N[C@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1)n1cc[nH+]c1 ZINC001753525294 1440429454 /nfs/dbraw/zinc/42/94/54/1440429454.db2.gz WOUVQRNKYOUNRF-FOIQADDNSA-N 2 2 346.519 3.145 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001753535104 1440432253 /nfs/dbraw/zinc/43/22/53/1440432253.db2.gz CTASLEJNCPGVJT-HKZGKQEBSA-N 2 2 346.519 3.272 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001753640088 1440454154 /nfs/dbraw/zinc/45/41/54/1440454154.db2.gz AXPQSWRRVJXKHE-QWHCGFSZSA-N 2 2 348.878 3.017 20 0 EGADLP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753698784 1440467901 /nfs/dbraw/zinc/46/79/01/1440467901.db2.gz KQCSPHJZOHCLGP-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753737713 1440478213 /nfs/dbraw/zinc/47/82/13/1440478213.db2.gz VGUGFMIXYGTYGG-QGZVFWFLSA-N 2 2 328.460 3.016 20 0 EGADLP CC(C)C[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001753748695 1440481878 /nfs/dbraw/zinc/48/18/78/1440481878.db2.gz UBOJJKPBXGXHNR-FUHWJXTLSA-N 2 2 334.508 3.145 20 0 EGADLP CC(C)C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001753748696 1440481941 /nfs/dbraw/zinc/48/19/41/1440481941.db2.gz UBOJJKPBXGXHNR-SJLPKXTDSA-N 2 2 334.508 3.145 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001753766896 1440484893 /nfs/dbraw/zinc/48/48/93/1440484893.db2.gz LJAZAQCTXZXGDB-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001753802425 1440491220 /nfs/dbraw/zinc/49/12/20/1440491220.db2.gz ZUVZDMKZCVSIJA-WXYTYNPNSA-N 2 2 346.519 3.224 20 0 EGADLP C[C@H](CC[NH2+]CCCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001753982530 1440528089 /nfs/dbraw/zinc/52/80/89/1440528089.db2.gz PXCZNNCKACUWDD-OAHLLOKOSA-N 2 2 330.476 3.259 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754267390 1440560868 /nfs/dbraw/zinc/56/08/68/1440560868.db2.gz IBCJMHOFIUELTF-XHPSBEMXSA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315660 1440575246 /nfs/dbraw/zinc/57/52/46/1440575246.db2.gz JGLUAVKRRLFTML-RDJZCZTQSA-N 2 2 348.516 3.169 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315660 1440575247 /nfs/dbraw/zinc/57/52/47/1440575247.db2.gz JGLUAVKRRLFTML-RDJZCZTQSA-N 2 2 348.516 3.169 20 0 EGADLP C[C@H]([NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001754377297 1440593054 /nfs/dbraw/zinc/59/30/54/1440593054.db2.gz UOMYNFQBMXIBQL-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@H]([NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC001754377297 1440593055 /nfs/dbraw/zinc/59/30/55/1440593055.db2.gz UOMYNFQBMXIBQL-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001754701288 1440667968 /nfs/dbraw/zinc/66/79/68/1440667968.db2.gz XCIYSDFPUBCZTJ-SGSXCFNPSA-N 2 2 340.471 3.132 20 0 EGADLP CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001754706662 1440669284 /nfs/dbraw/zinc/66/92/84/1440669284.db2.gz DRGMAPCLZGXDMM-VQIMIIECSA-N 2 2 334.508 3.099 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001754710571 1440670024 /nfs/dbraw/zinc/67/00/24/1440670024.db2.gz INCZHDHZLOISRX-FQEVSTJZSA-N 2 2 346.519 3.059 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001754795899 1440689434 /nfs/dbraw/zinc/68/94/34/1440689434.db2.gz UUANOHARWAEXCM-GOEBONIOSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001754828550 1440693919 /nfs/dbraw/zinc/69/39/19/1440693919.db2.gz MPHGNMIMMWTJGB-ROUUACIJSA-N 2 2 348.535 3.174 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC(C)(C)C)CC1 ZINC001754957017 1440716709 /nfs/dbraw/zinc/71/67/09/1440716709.db2.gz JRYHUHKJCOKVNQ-QAQDUYKDSA-N 2 2 348.535 3.054 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001755034694 1440733475 /nfs/dbraw/zinc/73/34/75/1440733475.db2.gz XBIFYFIZBNDJMY-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001755034694 1440733476 /nfs/dbraw/zinc/73/34/76/1440733476.db2.gz XBIFYFIZBNDJMY-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001755040469 1440736975 /nfs/dbraw/zinc/73/69/75/1440736975.db2.gz VMJKDQWQROQTNL-QGZVFWFLSA-N 2 2 348.535 3.052 20 0 EGADLP CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001755040469 1440736976 /nfs/dbraw/zinc/73/69/76/1440736976.db2.gz VMJKDQWQROQTNL-QGZVFWFLSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]3C)ccn12 ZINC001755652903 1440891572 /nfs/dbraw/zinc/89/15/72/1440891572.db2.gz DBBCMFQRASROMM-DOTOQJQBSA-N 2 2 342.487 3.272 20 0 EGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810052 720123784 /nfs/dbraw/zinc/12/37/84/720123784.db2.gz JLPTYXHCBVTAPS-CTNGQTDRSA-N 2 2 343.515 3.390 20 0 EGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)C)c[nH+]1)C2 ZINC001164810052 720123787 /nfs/dbraw/zinc/12/37/87/720123787.db2.gz JLPTYXHCBVTAPS-CTNGQTDRSA-N 2 2 343.515 3.390 20 0 EGADLP Cc1c[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C ZINC001164908678 721558153 /nfs/dbraw/zinc/55/81/53/721558153.db2.gz RNSATDATLUYLNR-MJGOQNOKSA-N 2 2 341.430 3.179 20 0 EGADLP Cc1c[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C ZINC001164908678 721558157 /nfs/dbraw/zinc/55/81/57/721558157.db2.gz RNSATDATLUYLNR-MJGOQNOKSA-N 2 2 341.430 3.179 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)[C@H]3OCCc4sccc43)c[nH+]c12 ZINC000368371478 168348055 /nfs/dbraw/zinc/34/80/55/168348055.db2.gz WFAHAAHBPDSGJR-CXAGYDPISA-N 2 2 327.453 3.496 20 0 EGADLP COc1ccc(C[C@H](C)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000368487130 168362849 /nfs/dbraw/zinc/36/28/49/168362849.db2.gz HKHJCRPOIRYMMR-AWEZNQCLSA-N 2 2 331.435 3.336 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccccc2C[NH+](C)C)c1 ZINC000369018504 168393182 /nfs/dbraw/zinc/39/31/82/168393182.db2.gz SNDOXAQVOIFLJR-UHFFFAOYSA-N 2 2 334.423 3.401 20 0 EGADLP C[NH+](C)Cc1cnc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000352256760 282150538 /nfs/dbraw/zinc/15/05/38/282150538.db2.gz LNGFNRUXVNGWSM-SFHVURJKSA-N 2 2 344.528 3.131 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174515072 231228050 /nfs/dbraw/zinc/22/80/50/231228050.db2.gz PZOUFTMJNTXMDE-BEFAXECRSA-N 2 2 326.488 3.121 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174515072 231228053 /nfs/dbraw/zinc/22/80/53/231228053.db2.gz PZOUFTMJNTXMDE-BEFAXECRSA-N 2 2 326.488 3.121 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c(F)c1 ZINC000130396943 529898987 /nfs/dbraw/zinc/89/89/87/529898987.db2.gz DAEBSPZFIHMSPR-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)c(F)c1 ZINC000130396943 529898988 /nfs/dbraw/zinc/89/89/88/529898988.db2.gz DAEBSPZFIHMSPR-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP Clc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(Br)c1 ZINC000126196472 222667460 /nfs/dbraw/zinc/66/74/60/222667460.db2.gz KIZUFVBHPZMONS-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)ccc1F ZINC000181105867 234087339 /nfs/dbraw/zinc/08/73/39/234087339.db2.gz LGYADERUXQPSOZ-CQSZACIVSA-N 2 2 343.406 3.464 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)ccc1F ZINC000181105867 234087344 /nfs/dbraw/zinc/08/73/44/234087344.db2.gz LGYADERUXQPSOZ-CQSZACIVSA-N 2 2 343.406 3.464 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183408889 235056579 /nfs/dbraw/zinc/05/65/79/235056579.db2.gz PKZPOJPOCANAET-HXUWFJFHSA-N 2 2 343.446 3.011 20 0 EGADLP Fc1ccc([C@@H](NC2CC[NH+](CC3CC3)CC2)c2[nH]cc[nH+]2)cc1 ZINC000187797994 236302938 /nfs/dbraw/zinc/30/29/38/236302938.db2.gz QBQXSXFNIGIEMQ-GOSISDBHSA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2sccc2Br)C1 ZINC000563570281 316039894 /nfs/dbraw/zinc/03/98/94/316039894.db2.gz BDULZNVNLWBCMP-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP FC(F)Sc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129327203 223044922 /nfs/dbraw/zinc/04/49/22/223044922.db2.gz DUHXFRABPFCVIU-HNNXBMFYSA-N 2 2 342.455 3.155 20 0 EGADLP FC(F)Sc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129327203 223044923 /nfs/dbraw/zinc/04/49/23/223044923.db2.gz DUHXFRABPFCVIU-HNNXBMFYSA-N 2 2 342.455 3.155 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cs2)CC1 ZINC000193995474 240393520 /nfs/dbraw/zinc/39/35/20/240393520.db2.gz JOTOUZOXUXRWRX-NSHDSACASA-N 2 2 347.322 3.272 20 0 EGADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000261840880 244699814 /nfs/dbraw/zinc/69/98/14/244699814.db2.gz NWJZTYUZBIEDCQ-HNNXBMFYSA-N 2 2 338.455 3.215 20 0 EGADLP [NH3+][C@@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000262773075 245171879 /nfs/dbraw/zinc/17/18/79/245171879.db2.gz BKGOYTAUUGDUAF-INIZCTEOSA-N 2 2 344.484 3.158 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000110056919 220012609 /nfs/dbraw/zinc/01/26/09/220012609.db2.gz FJQMEXLSKSFLGF-KRWDZBQOSA-N 2 2 326.444 3.088 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000110056919 220012613 /nfs/dbraw/zinc/01/26/13/220012613.db2.gz FJQMEXLSKSFLGF-KRWDZBQOSA-N 2 2 326.444 3.088 20 0 EGADLP CC[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264139251 246100534 /nfs/dbraw/zinc/10/05/34/246100534.db2.gz NXYMPXHDMSRARG-SFHVURJKSA-N 2 2 345.531 3.055 20 0 EGADLP CC[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264139251 246100542 /nfs/dbraw/zinc/10/05/42/246100542.db2.gz NXYMPXHDMSRARG-SFHVURJKSA-N 2 2 345.531 3.055 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012520 /nfs/dbraw/zinc/01/25/20/169012520.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012521 /nfs/dbraw/zinc/01/25/21/169012521.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012523 /nfs/dbraw/zinc/01/25/23/169012523.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337845 169012526 /nfs/dbraw/zinc/01/25/26/169012526.db2.gz QNMJBWDYZYNRPO-RTWAWAEBSA-N 3 2 338.499 3.036 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488463 169130001 /nfs/dbraw/zinc/13/00/01/169130001.db2.gz AUDMKGARDZEDSQ-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488463 169130003 /nfs/dbraw/zinc/13/00/03/169130003.db2.gz AUDMKGARDZEDSQ-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488463 169130006 /nfs/dbraw/zinc/13/00/06/169130006.db2.gz AUDMKGARDZEDSQ-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)[C@@H]2C1 ZINC000378488463 169130008 /nfs/dbraw/zinc/13/00/08/169130008.db2.gz AUDMKGARDZEDSQ-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000360968455 284685715 /nfs/dbraw/zinc/68/57/15/284685715.db2.gz KFBFEMDMJPBLIE-SLFFLAALSA-N 2 2 345.531 3.306 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000095421744 218363810 /nfs/dbraw/zinc/36/38/10/218363810.db2.gz OQDWZEUOPVYSFC-XLIONFOSSA-N 2 2 341.499 3.481 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474141 251090124 /nfs/dbraw/zinc/09/01/24/251090124.db2.gz YTNNZXMEIBDVNW-KGLIPLIRSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474141 251090128 /nfs/dbraw/zinc/09/01/28/251090128.db2.gz YTNNZXMEIBDVNW-KGLIPLIRSA-N 2 2 330.407 3.064 20 0 EGADLP CCCCn1c(SCc2c[nH+]cn2C)nnc1[C@H](CC)[NH+](C)C ZINC000267753733 251315907 /nfs/dbraw/zinc/31/59/07/251315907.db2.gz IBLKOFDQLUFNFO-AWEZNQCLSA-N 2 2 336.509 3.117 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000268848135 252296055 /nfs/dbraw/zinc/29/60/55/252296055.db2.gz CAFCOJHQCFVAIS-GOEBONIOSA-N 2 2 334.460 3.199 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000268828847 252279234 /nfs/dbraw/zinc/27/92/34/252279234.db2.gz KCJCFFKAYBRDLW-DGCLKSJQSA-N 2 2 348.821 3.049 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)c1 ZINC000181087891 533069686 /nfs/dbraw/zinc/06/96/86/533069686.db2.gz RNYTUKQBOFHRLP-AWEZNQCLSA-N 2 2 338.411 3.115 20 0 EGADLP COc1cc[nH+]cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000131687699 533087137 /nfs/dbraw/zinc/08/71/37/533087137.db2.gz HYJQWQHFFTZFCB-UHFFFAOYSA-N 2 2 339.439 3.331 20 0 EGADLP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)c(SC)cc1OC ZINC000119056698 221233321 /nfs/dbraw/zinc/23/33/21/221233321.db2.gz UXZPESRCHUHXRD-UHFFFAOYSA-N 2 2 338.517 3.343 20 0 EGADLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)c(SC)cc1OC ZINC000119056698 221233323 /nfs/dbraw/zinc/23/33/23/221233323.db2.gz UXZPESRCHUHXRD-UHFFFAOYSA-N 2 2 338.517 3.343 20 0 EGADLP Cc1cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc[nH+]1 ZINC000119777717 221398645 /nfs/dbraw/zinc/39/86/45/221398645.db2.gz DCOVGMNDYZSVSE-UHFFFAOYSA-N 2 2 344.484 3.485 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599945 141018316 /nfs/dbraw/zinc/01/83/16/141018316.db2.gz IYHUZDPWXWEMCM-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599945 141018318 /nfs/dbraw/zinc/01/83/18/141018318.db2.gz IYHUZDPWXWEMCM-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599945 141018320 /nfs/dbraw/zinc/01/83/20/141018320.db2.gz IYHUZDPWXWEMCM-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000246599945 141018324 /nfs/dbraw/zinc/01/83/24/141018324.db2.gz IYHUZDPWXWEMCM-HUUCEWRRSA-N 2 2 344.459 3.080 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000344528636 141169668 /nfs/dbraw/zinc/16/96/68/141169668.db2.gz MICXSQJWXNYMFN-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344528636 141169669 /nfs/dbraw/zinc/16/96/69/141169669.db2.gz MICXSQJWXNYMFN-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)[C@@H](C)C1 ZINC000352969040 141280316 /nfs/dbraw/zinc/28/03/16/141280316.db2.gz PVLUJGMRKIAECK-WDMOLILDSA-N 2 2 332.414 3.053 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)[C@@H](C)C1 ZINC000352969040 141280320 /nfs/dbraw/zinc/28/03/20/141280320.db2.gz PVLUJGMRKIAECK-WDMOLILDSA-N 2 2 332.414 3.053 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)cc2)cs1 ZINC000356857145 141355426 /nfs/dbraw/zinc/35/54/26/141355426.db2.gz AVNCJKVNIDTANY-MRXNPFEDSA-N 2 2 343.496 3.357 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)cc2)cs1 ZINC000356857145 141355430 /nfs/dbraw/zinc/35/54/30/141355430.db2.gz AVNCJKVNIDTANY-MRXNPFEDSA-N 2 2 343.496 3.357 20 0 EGADLP Cc1cccc(C)c1OCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358028231 141379981 /nfs/dbraw/zinc/37/99/81/141379981.db2.gz WYKUDOIEZVWEOJ-UHFFFAOYSA-N 2 2 339.483 3.331 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643253 144045726 /nfs/dbraw/zinc/04/57/26/144045726.db2.gz VQYINFXYAGYYPZ-ICSRJNTNSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643253 144045727 /nfs/dbraw/zinc/04/57/27/144045727.db2.gz VQYINFXYAGYYPZ-ICSRJNTNSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643253 144045729 /nfs/dbraw/zinc/04/57/29/144045729.db2.gz VQYINFXYAGYYPZ-ICSRJNTNSA-N 2 2 345.531 3.148 20 0 EGADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173643253 144045731 /nfs/dbraw/zinc/04/57/31/144045731.db2.gz VQYINFXYAGYYPZ-ICSRJNTNSA-N 2 2 345.531 3.148 20 0 EGADLP CCSc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000186211843 144127603 /nfs/dbraw/zinc/12/76/03/144127603.db2.gz IKLHIJMRGLSHMY-GOSISDBHSA-N 2 2 334.529 3.343 20 0 EGADLP CCSc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000186211843 144127604 /nfs/dbraw/zinc/12/76/04/144127604.db2.gz IKLHIJMRGLSHMY-GOSISDBHSA-N 2 2 334.529 3.343 20 0 EGADLP C[N@@H+](Cc1cc(O)cc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186223744 144127711 /nfs/dbraw/zinc/12/77/11/144127711.db2.gz ZDOWOCRJXIENKH-QGZVFWFLSA-N 2 2 328.431 3.485 20 0 EGADLP C[N@H+](Cc1cc(O)cc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186223744 144127713 /nfs/dbraw/zinc/12/77/13/144127713.db2.gz ZDOWOCRJXIENKH-QGZVFWFLSA-N 2 2 328.431 3.485 20 0 EGADLP C[NH+](Cc1cc(O)cc(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186223744 144127715 /nfs/dbraw/zinc/12/77/15/144127715.db2.gz ZDOWOCRJXIENKH-QGZVFWFLSA-N 2 2 328.431 3.485 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000186741155 144142543 /nfs/dbraw/zinc/14/25/43/144142543.db2.gz LYLUOXZYDJAJCH-INMHGKMJSA-N 2 2 330.501 3.142 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000186741155 144142545 /nfs/dbraw/zinc/14/25/45/144142545.db2.gz LYLUOXZYDJAJCH-INMHGKMJSA-N 2 2 330.501 3.142 20 0 EGADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187171622 144154406 /nfs/dbraw/zinc/15/44/06/144154406.db2.gz JBFKRMPQLBIRLY-OXQOHEQNSA-N 2 2 348.450 3.294 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680929 144209319 /nfs/dbraw/zinc/20/93/19/144209319.db2.gz QRCSJXMHWNBKSE-DNVCBOLYSA-N 2 2 327.472 3.334 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680929 144209320 /nfs/dbraw/zinc/20/93/20/144209320.db2.gz QRCSJXMHWNBKSE-DNVCBOLYSA-N 2 2 327.472 3.334 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908044 144240846 /nfs/dbraw/zinc/24/08/46/144240846.db2.gz YKMPMMPOEDGVGY-UZLBHIALSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908044 144240848 /nfs/dbraw/zinc/24/08/48/144240848.db2.gz YKMPMMPOEDGVGY-UZLBHIALSA-N 2 2 337.467 3.233 20 0 EGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000363757763 144362688 /nfs/dbraw/zinc/36/26/88/144362688.db2.gz NRMFAVQWRAXSKW-CABCVRRESA-N 2 2 329.444 3.437 20 0 EGADLP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000363757764 144362788 /nfs/dbraw/zinc/36/27/88/144362788.db2.gz NRMFAVQWRAXSKW-GJZGRUSLSA-N 2 2 329.444 3.437 20 0 EGADLP c1csc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000193937916 296641316 /nfs/dbraw/zinc/64/13/16/296641316.db2.gz DGRFQHYYJUKMFZ-CYGHRXIMSA-N 2 2 332.513 3.432 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341425016 155284509 /nfs/dbraw/zinc/28/45/09/155284509.db2.gz MYSGQDMDVSVCQS-DENIHFKCSA-N 2 2 349.478 3.307 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341425016 155284512 /nfs/dbraw/zinc/28/45/12/155284512.db2.gz MYSGQDMDVSVCQS-DENIHFKCSA-N 2 2 349.478 3.307 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C12CCC2 ZINC000376847299 286277682 /nfs/dbraw/zinc/27/76/82/286277682.db2.gz VXWIDSKEGNNPDJ-HUUCEWRRSA-N 2 2 334.426 3.341 20 0 EGADLP C[C@@H]1CCC[C@](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000117763318 152115454 /nfs/dbraw/zinc/11/54/54/152115454.db2.gz XRMFMOYJPOQMOF-UZLBHIALSA-N 2 2 340.471 3.113 20 0 EGADLP C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@H]1CCC[NH+](C)C1 ZINC000118842817 152156074 /nfs/dbraw/zinc/15/60/74/152156074.db2.gz RTQOLOUEXLVXGV-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@H]1CCC[NH+](C)C1 ZINC000118842817 152156077 /nfs/dbraw/zinc/15/60/77/152156077.db2.gz RTQOLOUEXLVXGV-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP C[NH+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000118842817 152156081 /nfs/dbraw/zinc/15/60/81/152156081.db2.gz RTQOLOUEXLVXGV-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP C[NH+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842817 152156085 /nfs/dbraw/zinc/15/60/85/152156085.db2.gz RTQOLOUEXLVXGV-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842294 152157167 /nfs/dbraw/zinc/15/71/67/152157167.db2.gz JFJJWNOWWHOLBA-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842294 152157170 /nfs/dbraw/zinc/15/71/70/152157170.db2.gz JFJJWNOWWHOLBA-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842294 152157175 /nfs/dbraw/zinc/15/71/75/152157175.db2.gz JFJJWNOWWHOLBA-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842294 152157179 /nfs/dbraw/zinc/15/71/79/152157179.db2.gz JFJJWNOWWHOLBA-OAHLLOKOSA-N 2 2 344.455 3.383 20 0 EGADLP CSc1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000120200612 152258433 /nfs/dbraw/zinc/25/84/33/152258433.db2.gz YBVVOFBWIPZWEA-KRWDZBQOSA-N 2 2 330.453 3.336 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456375 152278265 /nfs/dbraw/zinc/27/82/65/152278265.db2.gz WZPDVJCXOZPKGJ-RTBURBONSA-N 2 2 327.472 3.137 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000120456375 152278266 /nfs/dbraw/zinc/27/82/66/152278266.db2.gz WZPDVJCXOZPKGJ-RTBURBONSA-N 2 2 327.472 3.137 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120884552 152307892 /nfs/dbraw/zinc/30/78/92/152307892.db2.gz IGYIEJPWZBKRPI-SJORKVTESA-N 2 2 348.450 3.228 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)c2)c[nH+]1 ZINC000121171229 152331114 /nfs/dbraw/zinc/33/11/14/152331114.db2.gz GWFBSCIHYWUWDR-AQNXPRMDSA-N 2 2 337.467 3.369 20 0 EGADLP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000121967425 152381128 /nfs/dbraw/zinc/38/11/28/152381128.db2.gz FYXNRDRUPAMJGI-HXUWFJFHSA-N 2 2 337.467 3.332 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840019 153223716 /nfs/dbraw/zinc/22/37/16/153223716.db2.gz XNZZUNQBAKIHQK-CRAIPNDOSA-N 2 2 345.512 3.393 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840019 153223718 /nfs/dbraw/zinc/22/37/18/153223718.db2.gz XNZZUNQBAKIHQK-CRAIPNDOSA-N 2 2 345.512 3.393 20 0 EGADLP COC(=O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCC1 ZINC000192073394 153240527 /nfs/dbraw/zinc/24/05/27/153240527.db2.gz ZCDFLIDEEXFEBA-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCCC1 ZINC000192073394 153240533 /nfs/dbraw/zinc/24/05/33/153240533.db2.gz ZCDFLIDEEXFEBA-UHFFFAOYSA-N 2 2 327.428 3.098 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000192116440 153243456 /nfs/dbraw/zinc/24/34/56/153243456.db2.gz SWXJGKHRJRBROA-QGZVFWFLSA-N 2 2 348.450 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000192116440 153243458 /nfs/dbraw/zinc/24/34/58/153243458.db2.gz SWXJGKHRJRBROA-QGZVFWFLSA-N 2 2 348.450 3.229 20 0 EGADLP COc1ncccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193365169 153289124 /nfs/dbraw/zinc/28/91/24/153289124.db2.gz WGDIJAQNCWUPFQ-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ncccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193365169 153289126 /nfs/dbraw/zinc/28/91/26/153289126.db2.gz WGDIJAQNCWUPFQ-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193365169 153289128 /nfs/dbraw/zinc/28/91/28/153289128.db2.gz WGDIJAQNCWUPFQ-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193365169 153289131 /nfs/dbraw/zinc/28/91/31/153289131.db2.gz WGDIJAQNCWUPFQ-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194942075 153367070 /nfs/dbraw/zinc/36/70/70/153367070.db2.gz BYSUHDPGDSAETA-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)n1C ZINC000315598968 154156823 /nfs/dbraw/zinc/15/68/23/154156823.db2.gz MYEASPOBNXLRPO-CQSZACIVSA-N 2 2 336.892 3.466 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000339907037 155026377 /nfs/dbraw/zinc/02/63/77/155026377.db2.gz UXYYPQHWQIQGTO-LLVKDONJSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000339907037 155026378 /nfs/dbraw/zinc/02/63/78/155026378.db2.gz UXYYPQHWQIQGTO-LLVKDONJSA-N 2 2 338.224 3.311 20 0 EGADLP CCc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000339969094 155055483 /nfs/dbraw/zinc/05/54/83/155055483.db2.gz MNTAUDPIALPTAU-UHFFFAOYSA-N 2 2 328.435 3.199 20 0 EGADLP CCc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000339969094 155055487 /nfs/dbraw/zinc/05/54/87/155055487.db2.gz MNTAUDPIALPTAU-UHFFFAOYSA-N 2 2 328.435 3.199 20 0 EGADLP Cc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000339974256 155056760 /nfs/dbraw/zinc/05/67/60/155056760.db2.gz VAJMAEMHANFSNW-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)ccc1OC(F)F ZINC000346813010 156146807 /nfs/dbraw/zinc/14/68/07/156146807.db2.gz YDBHYRROMKAPCC-OBJOEFQTSA-N 2 2 328.403 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)ccc1OC(F)F ZINC000346813010 156146812 /nfs/dbraw/zinc/14/68/12/156146812.db2.gz YDBHYRROMKAPCC-OBJOEFQTSA-N 2 2 328.403 3.430 20 0 EGADLP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+](C)Cc2cscn2)c1 ZINC000348988999 156310010 /nfs/dbraw/zinc/31/00/10/156310010.db2.gz INPNUQOYIQAXRV-UHFFFAOYSA-N 2 2 346.500 3.055 20 0 EGADLP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+](C)Cc2cscn2)c1 ZINC000348988999 156310014 /nfs/dbraw/zinc/31/00/14/156310014.db2.gz INPNUQOYIQAXRV-UHFFFAOYSA-N 2 2 346.500 3.055 20 0 EGADLP CCC[NH+](C)CC(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000348988999 156310018 /nfs/dbraw/zinc/31/00/18/156310018.db2.gz INPNUQOYIQAXRV-UHFFFAOYSA-N 2 2 346.500 3.055 20 0 EGADLP CCC[NH+](C)CC(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000348988999 156310022 /nfs/dbraw/zinc/31/00/22/156310022.db2.gz INPNUQOYIQAXRV-UHFFFAOYSA-N 2 2 346.500 3.055 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629842 157195815 /nfs/dbraw/zinc/19/58/15/157195815.db2.gz NUNFGGWWWJWHJZ-INIZCTEOSA-N 2 2 340.471 3.362 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365629842 157195819 /nfs/dbraw/zinc/19/58/19/157195819.db2.gz NUNFGGWWWJWHJZ-INIZCTEOSA-N 2 2 340.471 3.362 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1F ZINC000368809095 157295015 /nfs/dbraw/zinc/29/50/15/157295015.db2.gz GGNXIQSBTPSQFD-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1F ZINC000368809095 157295020 /nfs/dbraw/zinc/29/50/20/157295020.db2.gz GGNXIQSBTPSQFD-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000093563644 162015114 /nfs/dbraw/zinc/01/51/14/162015114.db2.gz OKRUCCGCSSLNGV-APWZRJJASA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000093563644 162015117 /nfs/dbraw/zinc/01/51/17/162015117.db2.gz OKRUCCGCSSLNGV-APWZRJJASA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)c1OC ZINC000093597440 162017198 /nfs/dbraw/zinc/01/71/98/162017198.db2.gz YYDSBHLZNJYTSU-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)c1OC ZINC000093597440 162017199 /nfs/dbraw/zinc/01/71/99/162017199.db2.gz YYDSBHLZNJYTSU-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP Cc1cc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)oc2cc1C ZINC000093664874 162019818 /nfs/dbraw/zinc/01/98/18/162019818.db2.gz FXJDIVRCSRGOHO-QGZVFWFLSA-N 2 2 328.456 3.204 20 0 EGADLP Cc1cc2cc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)oc2cc1C ZINC000093664874 162019820 /nfs/dbraw/zinc/01/98/20/162019820.db2.gz FXJDIVRCSRGOHO-QGZVFWFLSA-N 2 2 328.456 3.204 20 0 EGADLP c1cc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)s2)cs1 ZINC000093664614 162020548 /nfs/dbraw/zinc/02/05/48/162020548.db2.gz OBMIDOSSWQIVCU-CQSZACIVSA-N 2 2 349.525 3.026 20 0 EGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)s2)cs1 ZINC000093664614 162020551 /nfs/dbraw/zinc/02/05/51/162020551.db2.gz OBMIDOSSWQIVCU-CQSZACIVSA-N 2 2 349.525 3.026 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093692794 162022891 /nfs/dbraw/zinc/02/28/91/162022891.db2.gz XTHLMTYVWKVOBM-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093692794 162022893 /nfs/dbraw/zinc/02/28/93/162022893.db2.gz XTHLMTYVWKVOBM-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129387467 162356031 /nfs/dbraw/zinc/35/60/31/162356031.db2.gz ILEPCNGCSQQQTA-OAHLLOKOSA-N 2 2 345.874 3.042 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000248721485 163030278 /nfs/dbraw/zinc/03/02/78/163030278.db2.gz SSEFNHNVWOMPDO-MGPUTAFESA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000248721485 163030280 /nfs/dbraw/zinc/03/02/80/163030280.db2.gz SSEFNHNVWOMPDO-MGPUTAFESA-N 2 2 345.437 3.403 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000249064314 163054329 /nfs/dbraw/zinc/05/43/29/163054329.db2.gz ZCBHXYWMGPPFCP-NMLBUPMWSA-N 2 2 340.467 3.203 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000249064314 163054332 /nfs/dbraw/zinc/05/43/32/163054332.db2.gz ZCBHXYWMGPPFCP-NMLBUPMWSA-N 2 2 340.467 3.203 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211332 /nfs/dbraw/zinc/21/13/32/163211332.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211335 /nfs/dbraw/zinc/21/13/35/163211335.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H]1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211338 /nfs/dbraw/zinc/21/13/38/163211338.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H]1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338327933 163211339 /nfs/dbraw/zinc/21/13/39/163211339.db2.gz PJEOKHDDNKWWDR-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP CCc1oc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938040 163394114 /nfs/dbraw/zinc/39/41/14/163394114.db2.gz ULYZVOGMVBBXNT-GJZGRUSLSA-N 2 2 348.487 3.371 20 0 EGADLP CCc1oc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938040 163394117 /nfs/dbraw/zinc/39/41/17/163394117.db2.gz ULYZVOGMVBBXNT-GJZGRUSLSA-N 2 2 348.487 3.371 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccnn2C)c1 ZINC000338945411 163397985 /nfs/dbraw/zinc/39/79/85/163397985.db2.gz QHEKAWXKKDKGJL-IBGZPJMESA-N 2 2 348.450 3.444 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccnn2C)c1 ZINC000338945411 163397987 /nfs/dbraw/zinc/39/79/87/163397987.db2.gz QHEKAWXKKDKGJL-IBGZPJMESA-N 2 2 348.450 3.444 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343954327 164072368 /nfs/dbraw/zinc/07/23/68/164072368.db2.gz GTDRODHDRNQOEP-UHFFFAOYSA-N 2 2 338.879 3.416 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)CC1 ZINC000343954327 164072370 /nfs/dbraw/zinc/07/23/70/164072370.db2.gz GTDRODHDRNQOEP-UHFFFAOYSA-N 2 2 338.879 3.416 20 0 EGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000344118500 164107520 /nfs/dbraw/zinc/10/75/20/164107520.db2.gz CCKZDVJLGZKMTG-LLVKDONJSA-N 2 2 342.274 3.004 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000344158585 164116908 /nfs/dbraw/zinc/11/69/08/164116908.db2.gz CBTQUTYXUCOZCG-DLBZAZTESA-N 2 2 326.525 3.059 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000345748155 164257965 /nfs/dbraw/zinc/25/79/65/164257965.db2.gz INKQFSSJFDOROA-QGZVFWFLSA-N 2 2 340.471 3.175 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543541 164394350 /nfs/dbraw/zinc/39/43/50/164394350.db2.gz XJSMMCFRIHERSF-COXVUDFISA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000346543541 164394351 /nfs/dbraw/zinc/39/43/51/164394351.db2.gz XJSMMCFRIHERSF-COXVUDFISA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543541 164394352 /nfs/dbraw/zinc/39/43/52/164394352.db2.gz XJSMMCFRIHERSF-COXVUDFISA-N 2 2 343.437 3.238 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000346543541 164394353 /nfs/dbraw/zinc/39/43/53/164394353.db2.gz XJSMMCFRIHERSF-COXVUDFISA-N 2 2 343.437 3.238 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)OCc1ccccc1 ZINC000354877984 166053130 /nfs/dbraw/zinc/05/31/30/166053130.db2.gz ZGKBJAOSWSJKPM-RTBURBONSA-N 2 2 346.515 3.167 20 0 EGADLP C[C@H](CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)OCc1ccccc1 ZINC000354877984 166053133 /nfs/dbraw/zinc/05/31/33/166053133.db2.gz ZGKBJAOSWSJKPM-RTBURBONSA-N 2 2 346.515 3.167 20 0 EGADLP Clc1cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000351988755 165179281 /nfs/dbraw/zinc/17/92/81/165179281.db2.gz LJXXADFCXNFWGX-UHFFFAOYSA-N 2 2 343.924 3.121 20 0 EGADLP C[NH+](C)Cc1cnc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000352250575 165308647 /nfs/dbraw/zinc/30/86/47/165308647.db2.gz JFIOHUCKJKYSIP-SFHVURJKSA-N 2 2 344.528 3.131 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000352250575 165308652 /nfs/dbraw/zinc/30/86/52/165308652.db2.gz JFIOHUCKJKYSIP-SFHVURJKSA-N 2 2 344.528 3.131 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089427458 287137297 /nfs/dbraw/zinc/13/72/97/287137297.db2.gz LKDCQADMFQCEKG-RDJZCZTQSA-N 2 2 337.458 3.128 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089427458 287137300 /nfs/dbraw/zinc/13/73/00/287137300.db2.gz LKDCQADMFQCEKG-RDJZCZTQSA-N 2 2 337.458 3.128 20 0 EGADLP COC1CCC(C)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000355168918 166121718 /nfs/dbraw/zinc/12/17/18/166121718.db2.gz TVBGRPAWCAUNDK-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP COc1cc[nH+]c(CN(C)C(C)(C)C[NH+]2CCCCCC2)c1OC ZINC000355301162 166158095 /nfs/dbraw/zinc/15/80/95/166158095.db2.gz BCVOGALMKYIDAD-UHFFFAOYSA-N 2 2 335.492 3.185 20 0 EGADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C/C=C\c3ccncc3)C2)CC1 ZINC000355323707 166163998 /nfs/dbraw/zinc/16/39/98/166163998.db2.gz WUZVNDAPJRZBHN-UPHRSURJSA-N 2 2 339.405 3.490 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000355663964 166277588 /nfs/dbraw/zinc/27/75/88/166277588.db2.gz DRWZVYRGOIQVFA-QGZVFWFLSA-N 2 2 344.455 3.254 20 0 EGADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000355727734 166292014 /nfs/dbraw/zinc/29/20/14/166292014.db2.gz CITAEMUDLODESO-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000355727734 166292016 /nfs/dbraw/zinc/29/20/16/166292016.db2.gz CITAEMUDLODESO-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000355727734 166292019 /nfs/dbraw/zinc/29/20/19/166292019.db2.gz CITAEMUDLODESO-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000355727734 166292020 /nfs/dbraw/zinc/29/20/20/166292020.db2.gz CITAEMUDLODESO-IBGZPJMESA-N 2 2 345.531 3.087 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000359746798 167221161 /nfs/dbraw/zinc/22/11/61/167221161.db2.gz IZONNIBEJWNBSL-UHFFFAOYSA-N 2 2 329.407 3.348 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc2c(c1)COC2 ZINC000360433915 167327487 /nfs/dbraw/zinc/32/74/87/167327487.db2.gz PVHLPKCDLGKQMG-INIZCTEOSA-N 2 2 337.467 3.427 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000361178091 167546690 /nfs/dbraw/zinc/54/66/90/167546690.db2.gz KLNIQRNOIRFCMS-OAHLLOKOSA-N 2 2 340.462 3.302 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000361178091 167546692 /nfs/dbraw/zinc/54/66/92/167546692.db2.gz KLNIQRNOIRFCMS-OAHLLOKOSA-N 2 2 340.462 3.302 20 0 EGADLP C[C@H](CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792280 168043900 /nfs/dbraw/zinc/04/39/00/168043900.db2.gz BLSXPSSEEUZWJR-SBHAEUEKSA-N 2 2 329.532 3.138 20 0 EGADLP C[C@H](CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792280 168043902 /nfs/dbraw/zinc/04/39/02/168043902.db2.gz BLSXPSSEEUZWJR-SBHAEUEKSA-N 2 2 329.532 3.138 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000367215851 168193766 /nfs/dbraw/zinc/19/37/66/168193766.db2.gz OBJAJMZIWMALRR-UHFFFAOYSA-N 2 2 340.515 3.488 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000367215851 168193768 /nfs/dbraw/zinc/19/37/68/168193768.db2.gz OBJAJMZIWMALRR-UHFFFAOYSA-N 2 2 340.515 3.488 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000367215851 168193769 /nfs/dbraw/zinc/19/37/69/168193769.db2.gz OBJAJMZIWMALRR-UHFFFAOYSA-N 2 2 340.515 3.488 20 0 EGADLP COC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)C[C@H]1c1ccccc1 ZINC000367306950 168204998 /nfs/dbraw/zinc/20/49/98/168204998.db2.gz BYCJEAWNBBMCFV-VQTJNVASSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)C[C@H]1c1ccccc1 ZINC000367306950 168204999 /nfs/dbraw/zinc/20/49/99/168204999.db2.gz BYCJEAWNBBMCFV-VQTJNVASSA-N 2 2 338.451 3.211 20 0 EGADLP CC(C)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000367733288 168264584 /nfs/dbraw/zinc/26/45/84/168264584.db2.gz GZJMXHRBROWNBU-CVEARBPZSA-N 2 2 332.492 3.023 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122862333 222173978 /nfs/dbraw/zinc/17/39/78/222173978.db2.gz QILUZSZNQDOEBB-RHSMWYFYSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000122862333 222173979 /nfs/dbraw/zinc/17/39/79/222173979.db2.gz QILUZSZNQDOEBB-RHSMWYFYSA-N 2 2 346.862 3.367 20 0 EGADLP CC[N@H+](CCC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390693 265046187 /nfs/dbraw/zinc/04/61/87/265046187.db2.gz FQCMJJBPELZTKZ-UHFFFAOYSA-N 2 2 347.503 3.352 20 0 EGADLP CC[N@@H+](CCC(=O)OC(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390693 265046190 /nfs/dbraw/zinc/04/61/90/265046190.db2.gz FQCMJJBPELZTKZ-UHFFFAOYSA-N 2 2 347.503 3.352 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354581 265248929 /nfs/dbraw/zinc/24/89/29/265248929.db2.gz KBRGWBJALUQWQW-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354581 265248931 /nfs/dbraw/zinc/24/89/31/265248931.db2.gz KBRGWBJALUQWQW-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354581 265248932 /nfs/dbraw/zinc/24/89/32/265248932.db2.gz KBRGWBJALUQWQW-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177354581 265248934 /nfs/dbraw/zinc/24/89/34/265248934.db2.gz KBRGWBJALUQWQW-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180125652 265395147 /nfs/dbraw/zinc/39/51/47/265395147.db2.gz DAJHUYFPMLIAHH-GTPINHCMSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180125652 265395149 /nfs/dbraw/zinc/39/51/49/265395149.db2.gz DAJHUYFPMLIAHH-GTPINHCMSA-N 2 2 339.524 3.144 20 0 EGADLP CC[NH+](CC)CCCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000195236054 266168007 /nfs/dbraw/zinc/16/80/07/266168007.db2.gz VIDJZFVSTGZGQF-FMIVXFBMSA-N 2 2 340.471 3.124 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)C[N@@H+]1C1CC1 ZINC000222688711 266195309 /nfs/dbraw/zinc/19/53/09/266195309.db2.gz ZAMUXEMSSHNNIE-GHMZBOCLSA-N 2 2 329.307 3.268 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Br)s2)C[N@H+]1C1CC1 ZINC000222688711 266195314 /nfs/dbraw/zinc/19/53/14/266195314.db2.gz ZAMUXEMSSHNNIE-GHMZBOCLSA-N 2 2 329.307 3.268 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@H](C)C[NH+]3CCOCC3)o2)cc1 ZINC000237408510 266233537 /nfs/dbraw/zinc/23/35/37/266233537.db2.gz HLMWRERXCGHMOM-KRWDZBQOSA-N 2 2 328.456 3.313 20 0 EGADLP OC[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000269979059 266395060 /nfs/dbraw/zinc/39/50/60/266395060.db2.gz NSEWVGAIDMCVHF-FQEVSTJZSA-N 2 2 348.450 3.040 20 0 EGADLP OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000269979059 266395065 /nfs/dbraw/zinc/39/50/65/266395065.db2.gz NSEWVGAIDMCVHF-FQEVSTJZSA-N 2 2 348.450 3.040 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ncc2F)CC1 ZINC000273907153 267139153 /nfs/dbraw/zinc/13/91/53/267139153.db2.gz WZHSLSDNTAFGEH-SNVBAGLBSA-N 2 2 330.245 3.118 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000274717889 267276206 /nfs/dbraw/zinc/27/62/06/267276206.db2.gz BORMDEGIRHZHQP-CVEARBPZSA-N 2 2 347.503 3.185 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823222 267292648 /nfs/dbraw/zinc/29/26/48/267292648.db2.gz KKWCLJCDTNFOFX-WMLDXEAASA-N 2 2 348.441 3.358 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823222 267292651 /nfs/dbraw/zinc/29/26/51/267292651.db2.gz KKWCLJCDTNFOFX-WMLDXEAASA-N 2 2 348.441 3.358 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000274838894 267294691 /nfs/dbraw/zinc/29/46/91/267294691.db2.gz VSAAELDTYOHUDB-UHFFFAOYSA-N 2 2 325.456 3.331 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000275337066 267348197 /nfs/dbraw/zinc/34/81/97/267348197.db2.gz WMOYCEFIGFXPLH-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000275337066 267348199 /nfs/dbraw/zinc/34/81/99/267348199.db2.gz WMOYCEFIGFXPLH-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000275337066 267348200 /nfs/dbraw/zinc/34/82/00/267348200.db2.gz WMOYCEFIGFXPLH-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000275337066 267348202 /nfs/dbraw/zinc/34/82/02/267348202.db2.gz WMOYCEFIGFXPLH-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC000360958399 273639007 /nfs/dbraw/zinc/63/90/07/273639007.db2.gz SYNQUZARZAUURW-CABCVRRESA-N 2 2 332.448 3.320 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356866140 274043349 /nfs/dbraw/zinc/04/33/49/274043349.db2.gz LUQWTMCDKFRBKR-QGZVFWFLSA-N 2 2 344.421 3.251 20 0 EGADLP Cn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446450 275151990 /nfs/dbraw/zinc/15/19/90/275151990.db2.gz IBBOUZGBMORTEF-SFHVURJKSA-N 2 2 334.467 3.185 20 0 EGADLP Cn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446450 275151991 /nfs/dbraw/zinc/15/19/91/275151991.db2.gz IBBOUZGBMORTEF-SFHVURJKSA-N 2 2 334.467 3.185 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000108371506 275175567 /nfs/dbraw/zinc/17/55/67/275175567.db2.gz SKIDEHQUILCZHZ-FQEVSTJZSA-N 2 2 342.483 3.042 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173593985 275197827 /nfs/dbraw/zinc/19/78/27/275197827.db2.gz MPABYVBODXGSLL-AZUAARDMSA-N 2 2 347.547 3.189 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173593985 275197829 /nfs/dbraw/zinc/19/78/29/275197829.db2.gz MPABYVBODXGSLL-AZUAARDMSA-N 2 2 347.547 3.189 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000278672573 275264276 /nfs/dbraw/zinc/26/42/76/275264276.db2.gz RCPJGIRRQZDFAF-UHFFFAOYSA-N 2 2 340.383 3.076 20 0 EGADLP CC(C)c1nnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000278916487 275287336 /nfs/dbraw/zinc/28/73/36/275287336.db2.gz RAYYGFNFEWTRBY-UHFFFAOYSA-N 2 2 329.448 3.105 20 0 EGADLP Cc1cccnc1OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000279352344 275324662 /nfs/dbraw/zinc/32/46/62/275324662.db2.gz VPSJRICKIMPJMV-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP OC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Cl)cc1C(F)(F)F ZINC000280823517 275498915 /nfs/dbraw/zinc/49/89/15/275498915.db2.gz VBAQOSAGXVOGLL-CQSZACIVSA-N 2 2 347.768 3.269 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000281412589 275547438 /nfs/dbraw/zinc/54/74/38/275547438.db2.gz HXDIHVGFPAWAKB-UHFFFAOYSA-N 2 2 348.406 3.007 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000281455778 275551060 /nfs/dbraw/zinc/55/10/60/275551060.db2.gz DMMWZWQXYIRSNS-ZHALLVOQSA-N 2 2 333.545 3.443 20 0 EGADLP CC(C)(COCc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000282303676 275620388 /nfs/dbraw/zinc/62/03/88/275620388.db2.gz RXWPKSRSXXXLCM-UHFFFAOYSA-N 2 2 336.439 3.352 20 0 EGADLP C[NH+](C)C[C@@H](NCc1cn2ccccc2[nH+]1)c1ccc(Cl)cc1 ZINC000282946514 275685831 /nfs/dbraw/zinc/68/58/31/275685831.db2.gz XMGQSAWJDALDRM-QGZVFWFLSA-N 2 2 328.847 3.380 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000286688313 276033267 /nfs/dbraw/zinc/03/32/67/276033267.db2.gz VVKIHYGBNVDPEI-HUUCEWRRSA-N 2 2 347.894 3.192 20 0 EGADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000286776668 276042443 /nfs/dbraw/zinc/04/24/43/276042443.db2.gz IRNKEKGJOFCBQL-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000287121795 276086529 /nfs/dbraw/zinc/08/65/29/276086529.db2.gz KKRLADPQAVQAPG-HNNXBMFYSA-N 2 2 326.444 3.355 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000287121795 276086531 /nfs/dbraw/zinc/08/65/31/276086531.db2.gz KKRLADPQAVQAPG-HNNXBMFYSA-N 2 2 326.444 3.355 20 0 EGADLP OCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000287142496 276088939 /nfs/dbraw/zinc/08/89/39/276088939.db2.gz SHHWASLJLPBCLE-SFHVURJKSA-N 2 2 345.874 3.417 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1nncn1C ZINC000287372068 276113121 /nfs/dbraw/zinc/11/31/21/276113121.db2.gz ZFBGUSIGLNCCND-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1nncn1C ZINC000287372068 276113122 /nfs/dbraw/zinc/11/31/22/276113122.db2.gz ZFBGUSIGLNCCND-HOTGVXAUSA-N 2 2 327.476 3.040 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000287429483 276119163 /nfs/dbraw/zinc/11/91/63/276119163.db2.gz GMLFGFNOLYGUJY-CRAIPNDOSA-N 2 2 338.455 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000287429483 276119165 /nfs/dbraw/zinc/11/91/65/276119165.db2.gz GMLFGFNOLYGUJY-CRAIPNDOSA-N 2 2 338.455 3.340 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000287735508 276151982 /nfs/dbraw/zinc/15/19/82/276151982.db2.gz PJBSSRRKQFPNFQ-ULQDDVLXSA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000287735508 276151985 /nfs/dbraw/zinc/15/19/85/276151985.db2.gz PJBSSRRKQFPNFQ-ULQDDVLXSA-N 2 2 342.405 3.351 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(F)cn1 ZINC000287809728 276159513 /nfs/dbraw/zinc/15/95/13/276159513.db2.gz UQLHLURVGWDVFF-GFCCVEGCSA-N 2 2 328.391 3.389 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000288488874 276219360 /nfs/dbraw/zinc/21/93/60/276219360.db2.gz AKBXDDJBVBIKMH-RDTXWAMCSA-N 2 2 338.455 3.213 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246484263 276228680 /nfs/dbraw/zinc/22/86/80/276228680.db2.gz GSNWYNPAQWZKMV-SCTDSRPQSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246484263 276228683 /nfs/dbraw/zinc/22/86/83/276228683.db2.gz GSNWYNPAQWZKMV-SCTDSRPQSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246484263 276228685 /nfs/dbraw/zinc/22/86/85/276228685.db2.gz GSNWYNPAQWZKMV-SCTDSRPQSA-N 2 2 335.536 3.020 20 0 EGADLP CCCCC[C@H](C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246484263 276228688 /nfs/dbraw/zinc/22/86/88/276228688.db2.gz GSNWYNPAQWZKMV-SCTDSRPQSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289545504 276355920 /nfs/dbraw/zinc/35/59/20/276355920.db2.gz CWMBGDDJNRNAMP-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289545504 276355922 /nfs/dbraw/zinc/35/59/22/276355922.db2.gz CWMBGDDJNRNAMP-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289545504 276355923 /nfs/dbraw/zinc/35/59/23/276355923.db2.gz CWMBGDDJNRNAMP-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289545504 276355924 /nfs/dbraw/zinc/35/59/24/276355924.db2.gz CWMBGDDJNRNAMP-WBMJQRKESA-N 2 2 330.394 3.153 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000289548285 276356223 /nfs/dbraw/zinc/35/62/23/276356223.db2.gz GCKJVPYNIRWUFH-UHFFFAOYSA-N 2 2 329.419 3.400 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289755905 276388812 /nfs/dbraw/zinc/38/88/12/276388812.db2.gz INOQWUKBNBUEGT-KRWDZBQOSA-N 2 2 346.906 3.465 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289755905 276388814 /nfs/dbraw/zinc/38/88/14/276388814.db2.gz INOQWUKBNBUEGT-KRWDZBQOSA-N 2 2 346.906 3.465 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C(C)(C)n2cncn2)[NH+]2CCCC2)cc1 ZINC000289779423 276392987 /nfs/dbraw/zinc/39/29/87/276392987.db2.gz NVQPERYLRVXQDK-PKOBYXMFSA-N 2 2 341.503 3.137 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)s1 ZINC000290359347 276484868 /nfs/dbraw/zinc/48/48/68/276484868.db2.gz MQZWLJHENXWUKU-KBPBESRZSA-N 2 2 333.501 3.415 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)cc2)c1C ZINC000291167240 276600326 /nfs/dbraw/zinc/60/03/26/276600326.db2.gz JFZHACZOOCQGPR-IBGZPJMESA-N 2 2 338.455 3.302 20 0 EGADLP OCC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291232126 276611496 /nfs/dbraw/zinc/61/14/96/276611496.db2.gz UGKFAYSEAZAJHC-INIZCTEOSA-N 2 2 344.421 3.159 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166396 277077821 /nfs/dbraw/zinc/07/78/21/277077821.db2.gz OPUNVHFFHFIELS-HOCLYGCPSA-N 2 2 338.293 3.465 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166396 277077822 /nfs/dbraw/zinc/07/78/22/277077822.db2.gz OPUNVHFFHFIELS-HOCLYGCPSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166396 277077823 /nfs/dbraw/zinc/07/78/23/277077823.db2.gz OPUNVHFFHFIELS-HOCLYGCPSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166396 277077825 /nfs/dbraw/zinc/07/78/25/277077825.db2.gz OPUNVHFFHFIELS-HOCLYGCPSA-N 2 2 338.293 3.465 20 0 EGADLP CO[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569000 277327665 /nfs/dbraw/zinc/32/76/65/277327665.db2.gz RWJXBQHKNFEARF-HBMCJLEFSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569000 277327666 /nfs/dbraw/zinc/32/76/66/277327666.db2.gz RWJXBQHKNFEARF-HBMCJLEFSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569000 277327667 /nfs/dbraw/zinc/32/76/67/277327667.db2.gz RWJXBQHKNFEARF-HBMCJLEFSA-N 2 2 339.483 3.394 20 0 EGADLP CO[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000338569000 277327668 /nfs/dbraw/zinc/32/76/68/277327668.db2.gz RWJXBQHKNFEARF-HBMCJLEFSA-N 2 2 339.483 3.394 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC000378571047 278028381 /nfs/dbraw/zinc/02/83/81/278028381.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000378571047 278028383 /nfs/dbraw/zinc/02/83/83/278028383.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571047 278028384 /nfs/dbraw/zinc/02/83/84/278028384.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000378571047 278028385 /nfs/dbraw/zinc/02/83/85/278028385.db2.gz PJSNPHIYMJUUFR-SGCGGLILSA-N 3 2 341.543 3.359 20 0 EGADLP C[C@H](c1c(F)cccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355032261 278304964 /nfs/dbraw/zinc/30/49/64/278304964.db2.gz OZLSDQQBJZDTOC-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1c(F)cccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355032261 278304966 /nfs/dbraw/zinc/30/49/66/278304966.db2.gz OZLSDQQBJZDTOC-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944198 278355259 /nfs/dbraw/zinc/35/52/59/278355259.db2.gz UBAXBVKPLNKPHB-NQIIRXRSSA-N 2 2 337.511 3.042 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944198 278355261 /nfs/dbraw/zinc/35/52/61/278355261.db2.gz UBAXBVKPLNKPHB-NQIIRXRSSA-N 2 2 337.511 3.042 20 0 EGADLP CCC1CCC([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)CC1 ZINC000344823151 278652155 /nfs/dbraw/zinc/65/21/55/278652155.db2.gz HORAKQLLRKVFAR-VQIVBJKUSA-N 2 2 344.503 3.173 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1ccsc1 ZINC000345305498 290001255 /nfs/dbraw/zinc/00/12/55/290001255.db2.gz QIDTZQAGELAWKW-WBHUJUFNSA-N 2 2 344.484 3.027 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246286763 298111562 /nfs/dbraw/zinc/11/15/62/298111562.db2.gz IDVZUKNSQDLOCJ-NCXUSEDFSA-N 2 2 335.536 3.115 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246286763 298111566 /nfs/dbraw/zinc/11/15/66/298111566.db2.gz IDVZUKNSQDLOCJ-NCXUSEDFSA-N 2 2 335.536 3.115 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000344835491 303029647 /nfs/dbraw/zinc/02/96/47/303029647.db2.gz SXLGGQUYEZEISB-QOKNQOGYSA-N 2 2 344.503 3.173 20 0 EGADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3cc[nH+]cc3C)CC2)cs1 ZINC000068434415 307370559 /nfs/dbraw/zinc/37/05/59/307370559.db2.gz BVXDEPXDBTZRLE-UHFFFAOYSA-N 2 2 330.457 3.006 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1csc(-c2ccccc2)n1 ZINC000414081788 309059731 /nfs/dbraw/zinc/05/97/31/309059731.db2.gz VJLOXCIYSZNKDZ-OAHLLOKOSA-N 2 2 345.512 3.308 20 0 EGADLP COC(=O)c1cnc([C@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000414080400 309059759 /nfs/dbraw/zinc/05/97/59/309059759.db2.gz UPALKAJKUMIPRM-NSHDSACASA-N 2 2 344.440 3.089 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000414127309 309062588 /nfs/dbraw/zinc/06/25/88/309062588.db2.gz FVBXBKNHCLSSKP-YRNRMSPPSA-N 2 2 327.472 3.302 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000154270101 307791166 /nfs/dbraw/zinc/79/11/66/307791166.db2.gz WRXKMJJIOVBWNF-JSGCOSHPSA-N 2 2 345.830 3.479 20 0 EGADLP Fc1cccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000163038211 307918957 /nfs/dbraw/zinc/91/89/57/307918957.db2.gz ZUPMGYIEEWCACR-UHFFFAOYSA-N 2 2 334.358 3.004 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)n1C ZINC000414329216 309073235 /nfs/dbraw/zinc/07/32/35/309073235.db2.gz AUXPQWBRADCERC-UHFFFAOYSA-N 2 2 332.879 3.351 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248622073 308007789 /nfs/dbraw/zinc/00/77/89/308007789.db2.gz NMHPZQHLOYOFGZ-UXPWSPDFSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000248622073 308007790 /nfs/dbraw/zinc/00/77/90/308007790.db2.gz NMHPZQHLOYOFGZ-UXPWSPDFSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248622073 308007791 /nfs/dbraw/zinc/00/77/91/308007791.db2.gz NMHPZQHLOYOFGZ-UXPWSPDFSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248622073 308007792 /nfs/dbraw/zinc/00/77/92/308007792.db2.gz NMHPZQHLOYOFGZ-UXPWSPDFSA-N 2 2 342.483 3.158 20 0 EGADLP Cc1cc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1C(F)(F)F ZINC000414392010 309077287 /nfs/dbraw/zinc/07/72/87/309077287.db2.gz FCHOFQTUPAMFBW-UHFFFAOYSA-N 2 2 338.377 3.055 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000248742935 308010543 /nfs/dbraw/zinc/01/05/43/308010543.db2.gz RPKSUSDIWWYLEW-MTEHYEEQSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@H+]1Cc1ccccc1 ZINC000248742935 308010545 /nfs/dbraw/zinc/01/05/45/308010545.db2.gz RPKSUSDIWWYLEW-MTEHYEEQSA-N 2 2 326.484 3.197 20 0 EGADLP CCc1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000414446345 309080647 /nfs/dbraw/zinc/08/06/47/309080647.db2.gz YIRKCXQIGYLKCH-OAQYLSRUSA-N 2 2 336.483 3.137 20 0 EGADLP CCc1ncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000414446345 309080648 /nfs/dbraw/zinc/08/06/48/309080648.db2.gz YIRKCXQIGYLKCH-OAQYLSRUSA-N 2 2 336.483 3.137 20 0 EGADLP CCc1ncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446345 309080649 /nfs/dbraw/zinc/08/06/49/309080649.db2.gz YIRKCXQIGYLKCH-OAQYLSRUSA-N 2 2 336.483 3.137 20 0 EGADLP CCc1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000414446345 309080650 /nfs/dbraw/zinc/08/06/50/309080650.db2.gz YIRKCXQIGYLKCH-OAQYLSRUSA-N 2 2 336.483 3.137 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292872765 308074667 /nfs/dbraw/zinc/07/46/67/308074667.db2.gz WPLABPZBRCCZMH-NRFANRHFSA-N 3 2 329.532 3.172 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292872765 308074668 /nfs/dbraw/zinc/07/46/68/308074668.db2.gz WPLABPZBRCCZMH-NRFANRHFSA-N 3 2 329.532 3.172 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292872765 308074670 /nfs/dbraw/zinc/07/46/70/308074670.db2.gz WPLABPZBRCCZMH-NRFANRHFSA-N 3 2 329.532 3.172 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292872765 308074672 /nfs/dbraw/zinc/07/46/72/308074672.db2.gz WPLABPZBRCCZMH-NRFANRHFSA-N 3 2 329.532 3.172 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292893903 308077363 /nfs/dbraw/zinc/07/73/63/308077363.db2.gz ZHAOIVHJRNERCZ-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000292893903 308077365 /nfs/dbraw/zinc/07/73/65/308077365.db2.gz ZHAOIVHJRNERCZ-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1c(Cl)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292893903 308077367 /nfs/dbraw/zinc/07/73/67/308077367.db2.gz ZHAOIVHJRNERCZ-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1c(Cl)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292893903 308077368 /nfs/dbraw/zinc/07/73/68/308077368.db2.gz ZHAOIVHJRNERCZ-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CC(C)O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971155 308085642 /nfs/dbraw/zinc/08/56/42/308085642.db2.gz WPWCYDXKEHOOLS-CTNGQTDRSA-N 2 2 346.515 3.197 20 0 EGADLP CC(C)O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971155 308085643 /nfs/dbraw/zinc/08/56/43/308085643.db2.gz WPWCYDXKEHOOLS-CTNGQTDRSA-N 2 2 346.515 3.197 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000414460200 309081667 /nfs/dbraw/zinc/08/16/67/309081667.db2.gz XTTPGZPEYPGIKJ-LJQANCHMSA-N 2 2 338.499 3.429 20 0 EGADLP CCc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000414460200 309081668 /nfs/dbraw/zinc/08/16/68/309081668.db2.gz XTTPGZPEYPGIKJ-LJQANCHMSA-N 2 2 338.499 3.429 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294070062 308187528 /nfs/dbraw/zinc/18/75/28/308187528.db2.gz KOKAXAZLXUFSKU-SFHVURJKSA-N 2 2 331.504 3.058 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294070062 308187530 /nfs/dbraw/zinc/18/75/30/308187530.db2.gz KOKAXAZLXUFSKU-SFHVURJKSA-N 2 2 331.504 3.058 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000294789545 308257154 /nfs/dbraw/zinc/25/71/54/308257154.db2.gz OJLIWOWLIVGYHH-UHFFFAOYSA-N 2 2 341.503 3.128 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414653342 309093702 /nfs/dbraw/zinc/09/37/02/309093702.db2.gz HZSNQJXWZUHSDT-UHFFFAOYSA-N 2 2 340.467 3.460 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414653342 309093703 /nfs/dbraw/zinc/09/37/03/309093703.db2.gz HZSNQJXWZUHSDT-UHFFFAOYSA-N 2 2 340.467 3.460 20 0 EGADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414698967 309096072 /nfs/dbraw/zinc/09/60/72/309096072.db2.gz RFEVVKGMKSBGGP-CQSZACIVSA-N 2 2 325.447 3.032 20 0 EGADLP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[NH2+]C(C)(C)C ZINC000414688211 309095578 /nfs/dbraw/zinc/09/55/78/309095578.db2.gz IZQSPTNBFOQWRG-UHFFFAOYSA-N 2 2 332.467 3.468 20 0 EGADLP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC[NH2+]C(C)(C)C ZINC000414688211 309095579 /nfs/dbraw/zinc/09/55/79/309095579.db2.gz IZQSPTNBFOQWRG-UHFFFAOYSA-N 2 2 332.467 3.468 20 0 EGADLP COc1cccc([C@H](C)[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000301851724 308718359 /nfs/dbraw/zinc/71/83/59/308718359.db2.gz BKKBLLRQORAFNB-HNNXBMFYSA-N 2 2 336.439 3.455 20 0 EGADLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc(OC)c1O ZINC000414840661 309105001 /nfs/dbraw/zinc/10/50/01/309105001.db2.gz XJKLFDPQZLUTCK-KRWDZBQOSA-N 2 2 344.455 3.322 20 0 EGADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Cl)c1 ZINC000330214158 308792573 /nfs/dbraw/zinc/79/25/73/308792573.db2.gz FXRSCIFVIIUNPR-INIZCTEOSA-N 2 2 344.846 3.048 20 0 EGADLP C[C@@H](C[NH+](C)C)NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000331515139 308808968 /nfs/dbraw/zinc/80/89/68/308808968.db2.gz JBPNQDGHGAWKRO-HNNXBMFYSA-N 2 2 342.487 3.150 20 0 EGADLP CCn1cc([C@@H]2OCCC[C@H]2[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000348177141 308883694 /nfs/dbraw/zinc/88/36/94/308883694.db2.gz UYPLLMYSHFGAJW-MOPGFXCFSA-N 2 2 328.460 3.049 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1Br ZINC000400340085 308907115 /nfs/dbraw/zinc/90/71/15/308907115.db2.gz HCDVFZLZCLTKFT-COPLHBTASA-N 2 2 327.266 3.249 20 0 EGADLP [NH3+]C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000414855295 309105787 /nfs/dbraw/zinc/10/57/87/309105787.db2.gz WRBGACCQJGPJPB-NRFANRHFSA-N 3 2 347.522 3.330 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000414880761 309106959 /nfs/dbraw/zinc/10/69/59/309106959.db2.gz KCWDJLGDWINZMC-IFMALSPDSA-N 2 2 347.462 3.479 20 0 EGADLP COCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)c1 ZINC000414889494 309107522 /nfs/dbraw/zinc/10/75/22/309107522.db2.gz SULHFMJYIGCFKT-NHCUHLMSSA-N 2 2 340.467 3.077 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)ccc2C)cc1 ZINC000414894039 309107673 /nfs/dbraw/zinc/10/76/73/309107673.db2.gz YUXMIVUWHLUTKT-PMACEKPBSA-N 2 2 328.431 3.378 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc3cccnc32)cc1 ZINC000414892125 309107791 /nfs/dbraw/zinc/10/77/91/309107791.db2.gz WKHQBVMJTSISAN-NHCUHLMSSA-N 2 2 347.462 3.479 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OCC ZINC000414895024 309107845 /nfs/dbraw/zinc/10/78/45/309107845.db2.gz VFZNRPMBQWOIGU-HNNXBMFYSA-N 2 2 326.868 3.354 20 0 EGADLP C[C@@]1(C[NH2+]Cc2c(F)ccc(Br)c2F)CCC[NH2+]C1 ZINC000414902753 309108311 /nfs/dbraw/zinc/10/83/11/309108311.db2.gz HNVCSDHABATPQH-CQSZACIVSA-N 2 2 333.220 3.207 20 0 EGADLP CCCOc1c(Br)cc(C[NH2+][C@H](C)C[NH3+])cc1OCC ZINC000414926489 309109552 /nfs/dbraw/zinc/10/95/52/309109552.db2.gz JMZDDIFCWRLKTK-LLVKDONJSA-N 2 2 345.281 3.073 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CCC[NH2+]1 ZINC000414944722 309110459 /nfs/dbraw/zinc/11/04/59/309110459.db2.gz OORKVVBLYAAWQH-NRFANRHFSA-N 2 2 340.467 3.220 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCC[NH2+]1 ZINC000414945609 309110808 /nfs/dbraw/zinc/11/08/08/309110808.db2.gz QSHLZJKHIAWOBS-GOSISDBHSA-N 2 2 334.460 3.412 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414951516 309111013 /nfs/dbraw/zinc/11/10/13/309111013.db2.gz JDKFRANBURPRBH-WFASDCNBSA-N 2 2 338.377 3.121 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c(-c2ccnn2C)c1 ZINC000414952558 309111063 /nfs/dbraw/zinc/11/10/63/309111063.db2.gz IOMDLVWBBNWHMV-NRFANRHFSA-N 2 2 346.478 3.372 20 0 EGADLP Cc1nc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000414958428 309111520 /nfs/dbraw/zinc/11/15/20/309111520.db2.gz WSIMIOVFJVKRRB-CJNGLKHVSA-N 2 2 337.439 3.273 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000415065478 309117837 /nfs/dbraw/zinc/11/78/37/309117837.db2.gz MVVGMFQNGSPVFI-FQEVSTJZSA-N 2 2 349.482 3.236 20 0 EGADLP C[N@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000415108597 309120923 /nfs/dbraw/zinc/12/09/23/309120923.db2.gz MOIJGTMDSNJRGH-UHFFFAOYSA-N 2 2 349.272 3.419 20 0 EGADLP C[N@@H+](CC[NH3+])Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000415108597 309120924 /nfs/dbraw/zinc/12/09/24/309120924.db2.gz MOIJGTMDSNJRGH-UHFFFAOYSA-N 2 2 349.272 3.419 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1c1cccc(F)c1 ZINC000415123898 309122103 /nfs/dbraw/zinc/12/21/03/309122103.db2.gz LRPKWMDZBRXZOU-VQTJNVASSA-N 2 2 340.442 3.120 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1c1cccc(F)c1 ZINC000415123898 309122104 /nfs/dbraw/zinc/12/21/04/309122104.db2.gz LRPKWMDZBRXZOU-VQTJNVASSA-N 2 2 340.442 3.120 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cc(F)cc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415124449 309122128 /nfs/dbraw/zinc/12/21/28/309122128.db2.gz CFIPWTNWFHSWAC-UHFFFAOYSA-N 3 2 345.437 3.048 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000415136252 309123151 /nfs/dbraw/zinc/12/31/51/309123151.db2.gz QZVRUWYXIBMQIV-WSTZPKSXSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415180083 309125107 /nfs/dbraw/zinc/12/51/07/309125107.db2.gz FBVIZFINRVBKTH-LSDHHAIUSA-N 2 2 340.427 3.465 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000415290692 309129920 /nfs/dbraw/zinc/12/99/20/309129920.db2.gz DQWPPDKSPXVMJO-QGZVFWFLSA-N 2 2 341.459 3.209 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC[NH2+]CCC)c1 ZINC000415290763 309130019 /nfs/dbraw/zinc/13/00/19/309130019.db2.gz DZJAUWMRAOFWOX-UHFFFAOYSA-N 2 2 343.475 3.471 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417114124 309193677 /nfs/dbraw/zinc/19/36/77/309193677.db2.gz GILAXPZOSRTMBO-INIZCTEOSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417114124 309193678 /nfs/dbraw/zinc/19/36/78/309193678.db2.gz GILAXPZOSRTMBO-INIZCTEOSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784325 309221981 /nfs/dbraw/zinc/22/19/81/309221981.db2.gz CEXJBXHTSNBFLF-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784325 309221982 /nfs/dbraw/zinc/22/19/82/309221982.db2.gz CEXJBXHTSNBFLF-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784325 309221983 /nfs/dbraw/zinc/22/19/83/309221983.db2.gz CEXJBXHTSNBFLF-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n(C)n1 ZINC000417784325 309221984 /nfs/dbraw/zinc/22/19/84/309221984.db2.gz CEXJBXHTSNBFLF-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417793053 309222555 /nfs/dbraw/zinc/22/25/55/309222555.db2.gz JSKRNZXJQPPJAO-FPOVZHCZSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000417793053 309222556 /nfs/dbraw/zinc/22/25/56/309222556.db2.gz JSKRNZXJQPPJAO-FPOVZHCZSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417804093 309223239 /nfs/dbraw/zinc/22/32/39/309223239.db2.gz YSSDAXSRUZBCTG-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cncc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417804093 309223240 /nfs/dbraw/zinc/22/32/40/309223240.db2.gz YSSDAXSRUZBCTG-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cncc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000417804093 309223241 /nfs/dbraw/zinc/22/32/41/309223241.db2.gz YSSDAXSRUZBCTG-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cncc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000417804093 309223242 /nfs/dbraw/zinc/22/32/42/309223242.db2.gz YSSDAXSRUZBCTG-NRFANRHFSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cncc1C[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417924580 309228551 /nfs/dbraw/zinc/22/85/51/309228551.db2.gz XGMIWLMKGSEZQF-HXUWFJFHSA-N 2 2 340.515 3.466 20 0 EGADLP CCn1cncc1C[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417924580 309228552 /nfs/dbraw/zinc/22/85/52/309228552.db2.gz XGMIWLMKGSEZQF-HXUWFJFHSA-N 2 2 340.515 3.466 20 0 EGADLP C[N@H+](CC(C)(C)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420293269 309279705 /nfs/dbraw/zinc/27/97/05/309279705.db2.gz QRFQWQCRRNSZRG-AWEZNQCLSA-N 2 2 344.286 3.015 20 0 EGADLP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420293269 309279706 /nfs/dbraw/zinc/27/97/06/309279706.db2.gz QRFQWQCRRNSZRG-AWEZNQCLSA-N 2 2 344.286 3.015 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)C[NH2+]CC3([NH3+])CCC3)cc2)c1 ZINC000420314034 309281382 /nfs/dbraw/zinc/28/13/82/309281382.db2.gz VCJUSYFQIYEPCZ-UHFFFAOYSA-N 2 2 339.439 3.197 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420313951 309281521 /nfs/dbraw/zinc/28/15/21/309281521.db2.gz KLLFSFLLUXLCLO-VXGBXAGGSA-N 2 2 335.423 3.130 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420313951 309281522 /nfs/dbraw/zinc/28/15/22/309281522.db2.gz KLLFSFLLUXLCLO-VXGBXAGGSA-N 2 2 335.423 3.130 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000420360770 309284059 /nfs/dbraw/zinc/28/40/59/309284059.db2.gz LKKWOOOSMKROIQ-QUCCMNQESA-N 2 2 345.531 3.387 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000420366348 309284409 /nfs/dbraw/zinc/28/44/09/309284409.db2.gz MDGAEVTVALOERV-GUXCAODWSA-N 2 2 325.456 3.137 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420370959 309284825 /nfs/dbraw/zinc/28/48/25/309284825.db2.gz WJZMKAUBOBBODO-IINYFYTJSA-N 2 2 346.302 3.134 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420389250 309285847 /nfs/dbraw/zinc/28/58/47/309285847.db2.gz HJOJHQJNFIWJPH-WMLDXEAASA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420389250 309285848 /nfs/dbraw/zinc/28/58/48/309285848.db2.gz HJOJHQJNFIWJPH-WMLDXEAASA-N 2 2 330.451 3.159 20 0 EGADLP CC[N@H+](CCCNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000420759143 309293654 /nfs/dbraw/zinc/29/36/54/309293654.db2.gz IELKNMITDQQNKV-UHFFFAOYSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000420759143 309293655 /nfs/dbraw/zinc/29/36/55/309293655.db2.gz IELKNMITDQQNKV-UHFFFAOYSA-N 2 2 346.519 3.075 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)cc(C)[nH+]1 ZINC000420789314 309294782 /nfs/dbraw/zinc/29/47/82/309294782.db2.gz XZHARPAQVNPRPQ-UHFFFAOYSA-N 2 2 332.492 3.010 20 0 EGADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420926261 309301564 /nfs/dbraw/zinc/30/15/64/309301564.db2.gz XTJCXFCPCPEANS-SFTDATJTSA-N 2 2 346.515 3.202 20 0 EGADLP c1cc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)ccn1 ZINC000420935365 309302444 /nfs/dbraw/zinc/30/24/44/309302444.db2.gz JXEIANZSSQVYKC-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP c1cc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)ccn1 ZINC000420935365 309302445 /nfs/dbraw/zinc/30/24/45/309302445.db2.gz JXEIANZSSQVYKC-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946253 309303244 /nfs/dbraw/zinc/30/32/44/309303244.db2.gz AQPRIGNHSIYHEW-RXVVDRJESA-N 2 2 346.515 3.034 20 0 EGADLP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946253 309303245 /nfs/dbraw/zinc/30/32/45/309303245.db2.gz AQPRIGNHSIYHEW-RXVVDRJESA-N 2 2 346.515 3.034 20 0 EGADLP CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959123 309304475 /nfs/dbraw/zinc/30/44/75/309304475.db2.gz FTKDJFFEGDKLBK-RTBURBONSA-N 2 2 334.529 3.283 20 0 EGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC(OC(C)(C)C)C1 ZINC000421004808 309306979 /nfs/dbraw/zinc/30/69/79/309306979.db2.gz IPVFKVZTGMFPQD-UHFFFAOYSA-N 2 2 346.515 3.297 20 0 EGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC(OC(C)(C)C)C1 ZINC000421004808 309306980 /nfs/dbraw/zinc/30/69/80/309306980.db2.gz IPVFKVZTGMFPQD-UHFFFAOYSA-N 2 2 346.515 3.297 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccncc1Cl ZINC000421842341 309342739 /nfs/dbraw/zinc/34/27/39/309342739.db2.gz KSSFBHWSYIAOCN-MORSLUCNSA-N 2 2 337.895 3.154 20 0 EGADLP COC1([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000421890588 309345238 /nfs/dbraw/zinc/34/52/38/309345238.db2.gz YANOMBKTUKNPJP-HOTGVXAUSA-N 2 2 329.444 3.107 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CC)CCCCC3)CC2)CC1 ZINC000422026316 309351670 /nfs/dbraw/zinc/35/16/70/309351670.db2.gz UMWWRXXUYSRUGW-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CC)CCCCC3)CC2)CC1 ZINC000422026316 309351671 /nfs/dbraw/zinc/35/16/71/309351671.db2.gz UMWWRXXUYSRUGW-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000422688848 309363441 /nfs/dbraw/zinc/36/34/41/309363441.db2.gz DFWMNBXKFKLHSK-HNNXBMFYSA-N 2 2 341.455 3.360 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(OC)c1 ZINC000422715861 309364545 /nfs/dbraw/zinc/36/45/45/309364545.db2.gz JMXXTXGNAFBKHL-HKUYNNGSSA-N 2 2 326.440 3.287 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422787515 309368175 /nfs/dbraw/zinc/36/81/75/309368175.db2.gz RKWVOPFDQBNLPG-KSSFIOAISA-N 2 2 327.428 3.113 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422813171 309369761 /nfs/dbraw/zinc/36/97/61/309369761.db2.gz RPEUHKGCQHFXSC-KJNZLNQQSA-N 3 2 345.531 3.045 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422813171 309369762 /nfs/dbraw/zinc/36/97/62/309369762.db2.gz RPEUHKGCQHFXSC-KJNZLNQQSA-N 3 2 345.531 3.045 20 0 EGADLP COc1cccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000422826359 309370506 /nfs/dbraw/zinc/37/05/06/309370506.db2.gz QVWDHIBNOYGVRE-RBZFPXEDSA-N 2 2 344.430 3.130 20 0 EGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000422831037 309370796 /nfs/dbraw/zinc/37/07/96/309370796.db2.gz SDLMYLJNMURVER-FXAWDEMLSA-N 3 2 326.488 3.332 20 0 EGADLP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422879174 309373652 /nfs/dbraw/zinc/37/36/52/309373652.db2.gz UWRFQUWNOGMALH-OCCSQVGLSA-N 2 2 328.403 3.307 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422879973 309373712 /nfs/dbraw/zinc/37/37/12/309373712.db2.gz WJLPKTQFHBZDEB-JKIFEVAISA-N 2 2 336.451 3.032 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422908871 309375551 /nfs/dbraw/zinc/37/55/51/309375551.db2.gz MZPXLBKDEOPNND-FVQBIDKESA-N 2 2 337.895 3.048 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422908875 309375598 /nfs/dbraw/zinc/37/55/98/309375598.db2.gz MZPXLBKDEOPNND-VNQPRFMTSA-N 2 2 337.895 3.048 20 0 EGADLP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCC[NH2+]1 ZINC000422955577 309378154 /nfs/dbraw/zinc/37/81/54/309378154.db2.gz JPUINWJYQIXGDT-IUODEOHRSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000422959795 309378276 /nfs/dbraw/zinc/37/82/76/309378276.db2.gz UOIDQJATGIYGMO-CSFFLVESSA-N 2 2 344.503 3.028 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(Cl)s1 ZINC000422999676 309380159 /nfs/dbraw/zinc/38/01/59/309380159.db2.gz YECORSQYLUYXTL-UTUOFQBUSA-N 2 2 335.300 3.302 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423061011 309383804 /nfs/dbraw/zinc/38/38/04/309383804.db2.gz JPXTXYIAZKMWOH-GDBMZVCRSA-N 2 2 338.442 3.133 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000423073138 309384557 /nfs/dbraw/zinc/38/45/57/309384557.db2.gz KPRIEHBBDBYNGY-OBJOEFQTSA-N 2 2 332.366 3.003 20 0 EGADLP CCCCOc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1Cl ZINC000423075521 309384661 /nfs/dbraw/zinc/38/46/61/309384661.db2.gz XFSOANOTAKINAF-GOEBONIOSA-N 2 2 340.895 3.376 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)c2ccccc21 ZINC000423102642 309386117 /nfs/dbraw/zinc/38/61/17/309386117.db2.gz OJJRLONALSYDRO-HUUCEWRRSA-N 2 2 337.345 3.257 20 0 EGADLP C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCC[NH2+]1 ZINC000423156909 309388642 /nfs/dbraw/zinc/38/86/42/309388642.db2.gz UNCKMAWODSXVKR-HERUPUMHSA-N 2 2 327.241 3.306 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ncc(Br)cc1F ZINC000423174292 309389191 /nfs/dbraw/zinc/38/91/91/309389191.db2.gz ACIXIMNMNRYCMW-JTQLQIEISA-N 2 2 330.245 3.295 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423210956 309390562 /nfs/dbraw/zinc/39/05/62/309390562.db2.gz GUKVLXNOYTZGKU-IPYPFGDCSA-N 2 2 347.894 3.268 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229414 309391402 /nfs/dbraw/zinc/39/14/02/309391402.db2.gz BGERQRMXHKITKX-OCCSQVGLSA-N 2 2 325.250 3.004 20 0 EGADLP FC(F)(F)[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC000423233815 309391615 /nfs/dbraw/zinc/39/16/15/309391615.db2.gz OWHVMRZKVVGWOD-MRXNPFEDSA-N 2 2 336.361 3.207 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000423250348 309392425 /nfs/dbraw/zinc/39/24/25/309392425.db2.gz UTOWSOOBHQYPLW-CRAIPNDOSA-N 2 2 328.456 3.233 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000423281171 309393845 /nfs/dbraw/zinc/39/38/45/309393845.db2.gz AQLDEXSQSKJFDT-LBPRGKRZSA-N 2 2 335.883 3.397 20 0 EGADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000423296792 309394323 /nfs/dbraw/zinc/39/43/23/309394323.db2.gz ZWBABHPIVJVLCC-IFXJQAMLSA-N 2 2 338.430 3.458 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)C[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000423366915 309397391 /nfs/dbraw/zinc/39/73/91/309397391.db2.gz LTHXSMDLDMGFGC-UWVGGRQHSA-N 2 2 327.259 3.485 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CCC[NH2+]1 ZINC000423412618 309399082 /nfs/dbraw/zinc/39/90/82/309399082.db2.gz IDNXPDGKAURTHE-JKSUJKDBSA-N 2 2 329.271 3.339 20 0 EGADLP COC[C@]1(C[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CCC[NH2+]1 ZINC000423414033 309399180 /nfs/dbraw/zinc/39/91/80/309399180.db2.gz LZGQMASOZAOZBX-NHCUHLMSSA-N 2 2 340.467 3.143 20 0 EGADLP COC[C@]1(C[NH2+][C@H](c2ccccc2OC)C2CCCC2)CCC[NH2+]1 ZINC000423413265 309399328 /nfs/dbraw/zinc/39/93/28/309399328.db2.gz JZVOJNDOPGGZOL-VQTJNVASSA-N 2 2 332.488 3.285 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1Br ZINC000423415963 309399433 /nfs/dbraw/zinc/39/94/33/309399433.db2.gz FJTAMHUUZQYPHN-HOTGVXAUSA-N 2 2 341.293 3.258 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000423441568 309400646 /nfs/dbraw/zinc/40/06/46/309400646.db2.gz UOTXHIXLGDMMNZ-UHFFFAOYSA-N 2 2 326.444 3.418 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423495215 309403067 /nfs/dbraw/zinc/40/30/67/309403067.db2.gz UAJJIRFZTLHZMF-PKOBYXMFSA-N 2 2 346.515 3.474 20 0 EGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000423568883 309406561 /nfs/dbraw/zinc/40/65/61/309406561.db2.gz MMFVALLEHQUADI-HOTGVXAUSA-N 2 2 341.293 3.114 20 0 EGADLP C[NH+](C)Cc1ccnc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000425194721 309468699 /nfs/dbraw/zinc/46/86/99/309468699.db2.gz PHODKOSRNUGNND-QGZVFWFLSA-N 2 2 349.438 3.027 20 0 EGADLP C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000425234034 309469553 /nfs/dbraw/zinc/46/95/53/309469553.db2.gz LPYXFBOCWXSVDW-WBVHZDCISA-N 2 2 342.487 3.024 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(Br)c1 ZINC000425917956 309494696 /nfs/dbraw/zinc/49/46/96/309494696.db2.gz HHBWLEPSGUCEDC-VXGBXAGGSA-N 2 2 329.282 3.306 20 0 EGADLP COCc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000434686998 309717818 /nfs/dbraw/zinc/71/78/18/309717818.db2.gz BVORFZZRHTUPQA-UHFFFAOYSA-N 2 2 346.500 3.202 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)Cc2ccccc2C1 ZINC000442793268 309887131 /nfs/dbraw/zinc/88/71/31/309887131.db2.gz RLAOWAHOMSYRLL-GOSISDBHSA-N 2 2 345.490 3.324 20 0 EGADLP CCCC[C@H](CC)C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000448210824 310000372 /nfs/dbraw/zinc/00/03/72/310000372.db2.gz ACKFDUBUOCBSFQ-IRXDYDNUSA-N 2 2 346.519 3.107 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027160 310030615 /nfs/dbraw/zinc/03/06/15/310030615.db2.gz HTVVFRUYYDEQML-APWZRJJASA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027160 310030616 /nfs/dbraw/zinc/03/06/16/310030616.db2.gz HTVVFRUYYDEQML-APWZRJJASA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027160 310030617 /nfs/dbraw/zinc/03/06/17/310030617.db2.gz HTVVFRUYYDEQML-APWZRJJASA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027160 310030618 /nfs/dbraw/zinc/03/06/18/310030618.db2.gz HTVVFRUYYDEQML-APWZRJJASA-N 2 2 342.487 3.186 20 0 EGADLP Fc1cc(Br)ccc1C1CC([NH2+]CCn2cc[nH+]c2)C1 ZINC000449061502 310033867 /nfs/dbraw/zinc/03/38/67/310033867.db2.gz IXKBGUSZEDQGFI-UHFFFAOYSA-N 2 2 338.224 3.321 20 0 EGADLP COc1cc(F)cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000449070327 310034612 /nfs/dbraw/zinc/03/46/12/310034612.db2.gz CBORGBTZTDJBMZ-UHFFFAOYSA-N 2 2 339.414 3.411 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449111232 310037937 /nfs/dbraw/zinc/03/79/37/310037937.db2.gz KDBFZJMYBKTQAQ-HNNXBMFYSA-N 2 2 342.405 3.182 20 0 EGADLP C[C@H](C[S@](C)=O)[N@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238574 310046672 /nfs/dbraw/zinc/04/66/72/310046672.db2.gz GUKCYKCOYLHNSS-QRQCRPRQSA-N 2 2 330.582 3.364 20 0 EGADLP C[C@H](C[S@](C)=O)[N@@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238574 310046673 /nfs/dbraw/zinc/04/66/73/310046673.db2.gz GUKCYKCOYLHNSS-QRQCRPRQSA-N 2 2 330.582 3.364 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449320530 310053110 /nfs/dbraw/zinc/05/31/10/310053110.db2.gz OBSCSGIUKUPJBT-ZBOXLXRLSA-N 2 2 329.257 3.374 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C1 ZINC000449362094 310056731 /nfs/dbraw/zinc/05/67/31/310056731.db2.gz MDCVDQAWROTHLU-HBGVWJBISA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C1 ZINC000449362094 310056732 /nfs/dbraw/zinc/05/67/32/310056732.db2.gz MDCVDQAWROTHLU-HBGVWJBISA-N 2 2 342.458 3.154 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC000449380317 310057658 /nfs/dbraw/zinc/05/76/58/310057658.db2.gz WBDTWMAQVIEPHY-SFHVURJKSA-N 2 2 344.499 3.114 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000449381516 310057704 /nfs/dbraw/zinc/05/77/04/310057704.db2.gz SLWOJEMTCLPCDG-UIAACRFSSA-N 2 2 334.479 3.492 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388922 310058280 /nfs/dbraw/zinc/05/82/80/310058280.db2.gz QVWVIJZCWOCDSN-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388922 310058281 /nfs/dbraw/zinc/05/82/81/310058281.db2.gz QVWVIJZCWOCDSN-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449398906 310058956 /nfs/dbraw/zinc/05/89/56/310058956.db2.gz WWLCKGPGSPRAMS-ZBFHGGJFSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449398906 310058957 /nfs/dbraw/zinc/05/89/57/310058957.db2.gz WWLCKGPGSPRAMS-ZBFHGGJFSA-N 2 2 344.421 3.073 20 0 EGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449468489 310064540 /nfs/dbraw/zinc/06/45/40/310064540.db2.gz PLOFYLDKXFAGBD-CRAIPNDOSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449468489 310064541 /nfs/dbraw/zinc/06/45/41/310064541.db2.gz PLOFYLDKXFAGBD-CRAIPNDOSA-N 2 2 329.513 3.494 20 0 EGADLP CC[C@@](C)(C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)OC ZINC000449479128 310065430 /nfs/dbraw/zinc/06/54/30/310065430.db2.gz UKAYDYOLVFSHHZ-HNNXBMFYSA-N 2 2 340.265 3.310 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)COC(C)C)CC2)cc1 ZINC000449526869 310069310 /nfs/dbraw/zinc/06/93/10/310069310.db2.gz YCTSAXBAOKFBLN-MRXNPFEDSA-N 2 2 347.503 3.013 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000449526609 310069441 /nfs/dbraw/zinc/06/94/41/310069441.db2.gz WTPAFRYPPGUULU-SFTDATJTSA-N 2 2 341.499 3.388 20 0 EGADLP CO[C@@H]1C[C@H]([N@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630120 310076192 /nfs/dbraw/zinc/07/61/92/310076192.db2.gz HCQMRFBVHFSUCW-DLBZAZTESA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@@H]1C[C@H]([N@@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630120 310076193 /nfs/dbraw/zinc/07/61/93/310076193.db2.gz HCQMRFBVHFSUCW-DLBZAZTESA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@@H]1C[C@H]([NH+](C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C12CCC2 ZINC000449630120 310076194 /nfs/dbraw/zinc/07/61/94/310076194.db2.gz HCQMRFBVHFSUCW-DLBZAZTESA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@@H]1C[C@H]([NH+](C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C12CCC2 ZINC000449630120 310076195 /nfs/dbraw/zinc/07/61/95/310076195.db2.gz HCQMRFBVHFSUCW-DLBZAZTESA-N 2 2 349.544 3.299 20 0 EGADLP COc1cccnc1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000449751812 310084435 /nfs/dbraw/zinc/08/44/35/310084435.db2.gz ZETAMXDTLCPSFK-UHFFFAOYSA-N 2 2 327.472 3.338 20 0 EGADLP COc1cccnc1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000449751812 310084436 /nfs/dbraw/zinc/08/44/36/310084436.db2.gz ZETAMXDTLCPSFK-UHFFFAOYSA-N 2 2 327.472 3.338 20 0 EGADLP Cc1cccc(Cl)c1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450655600 310135622 /nfs/dbraw/zinc/13/56/22/310135622.db2.gz UHKPDNZSMIVGJK-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cccc(Cl)c1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450655600 310135623 /nfs/dbraw/zinc/13/56/23/310135623.db2.gz UHKPDNZSMIVGJK-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000453109411 310258577 /nfs/dbraw/zinc/25/85/77/310258577.db2.gz PKXBMAWTDMATFR-YTQUADARSA-N 2 2 342.487 3.188 20 0 EGADLP CCC[N@H+](CC)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453121907 310259330 /nfs/dbraw/zinc/25/93/30/310259330.db2.gz DJQNUNDHTNUBNW-QGZVFWFLSA-N 2 2 334.895 3.484 20 0 EGADLP CCC[N@@H+](CC)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453121907 310259331 /nfs/dbraw/zinc/25/93/31/310259331.db2.gz DJQNUNDHTNUBNW-QGZVFWFLSA-N 2 2 334.895 3.484 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254208 310267005 /nfs/dbraw/zinc/26/70/05/310267005.db2.gz DHCZPNMGPMKAFY-UWJYYQICSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(-c2ccncc2)cc1 ZINC000453254208 310267006 /nfs/dbraw/zinc/26/70/06/310267006.db2.gz DHCZPNMGPMKAFY-UWJYYQICSA-N 2 2 339.483 3.246 20 0 EGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453261517 310267683 /nfs/dbraw/zinc/26/76/83/310267683.db2.gz RQRCFEXUGAXUOG-MJGOQNOKSA-N 2 2 334.504 3.219 20 0 EGADLP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453261517 310267684 /nfs/dbraw/zinc/26/76/84/310267684.db2.gz RQRCFEXUGAXUOG-MJGOQNOKSA-N 2 2 334.504 3.219 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)sc1Br ZINC000453266157 310267972 /nfs/dbraw/zinc/26/79/72/310267972.db2.gz KPKJLLMDCIZPNC-WCABBAIRSA-N 2 2 332.311 3.032 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)sc1Br ZINC000453266157 310267973 /nfs/dbraw/zinc/26/79/73/310267973.db2.gz KPKJLLMDCIZPNC-WCABBAIRSA-N 2 2 332.311 3.032 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453293374 310269415 /nfs/dbraw/zinc/26/94/15/310269415.db2.gz WMGOJYHMJLPLBV-RCBQFDQVSA-N 2 2 330.394 3.059 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453293374 310269416 /nfs/dbraw/zinc/26/94/16/310269416.db2.gz WMGOJYHMJLPLBV-RCBQFDQVSA-N 2 2 330.394 3.059 20 0 EGADLP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000453366059 310273137 /nfs/dbraw/zinc/27/31/37/310273137.db2.gz MBXBDGBLCRLHPB-INIZCTEOSA-N 2 2 343.515 3.270 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[N@@H+]2CCCC2(C)C)cc1 ZINC000453396498 310274639 /nfs/dbraw/zinc/27/46/39/310274639.db2.gz KTAJJDQEIMAVQS-IBGZPJMESA-N 2 2 341.503 3.182 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[N@H+]2CCCC2(C)C)cc1 ZINC000453396498 310274640 /nfs/dbraw/zinc/27/46/40/310274640.db2.gz KTAJJDQEIMAVQS-IBGZPJMESA-N 2 2 341.503 3.182 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000453395379 310274732 /nfs/dbraw/zinc/27/47/32/310274732.db2.gz JOYXECADQKVJKS-FXAWDEMLSA-N 2 2 331.504 3.088 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000453395379 310274733 /nfs/dbraw/zinc/27/47/33/310274733.db2.gz JOYXECADQKVJKS-FXAWDEMLSA-N 2 2 331.504 3.088 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)s1 ZINC000453571259 310282271 /nfs/dbraw/zinc/28/22/71/310282271.db2.gz BVWNZTWNPIOSRN-HNNXBMFYSA-N 2 2 339.530 3.116 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455469151 310362247 /nfs/dbraw/zinc/36/22/47/310362247.db2.gz HCXSZDHYOHAOAQ-UHFFFAOYSA-N 2 2 326.444 3.260 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000455469151 310362248 /nfs/dbraw/zinc/36/22/48/310362248.db2.gz HCXSZDHYOHAOAQ-UHFFFAOYSA-N 2 2 326.444 3.260 20 0 EGADLP CSCC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000455765059 310376249 /nfs/dbraw/zinc/37/62/49/310376249.db2.gz AQTGRBFEFGOEPW-HNNXBMFYSA-N 2 2 331.441 3.201 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000487179612 311013938 /nfs/dbraw/zinc/01/39/38/311013938.db2.gz IWJWPRKCSCNHKP-OAHLLOKOSA-N 2 2 340.895 3.329 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000487179612 311013940 /nfs/dbraw/zinc/01/39/40/311013940.db2.gz IWJWPRKCSCNHKP-OAHLLOKOSA-N 2 2 340.895 3.329 20 0 EGADLP COc1ncccc1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000488113399 311051998 /nfs/dbraw/zinc/05/19/98/311051998.db2.gz RGMDMNSMJQSZOH-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ncccc1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000488113399 311051999 /nfs/dbraw/zinc/05/19/99/311051999.db2.gz RGMDMNSMJQSZOH-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000488454557 311066623 /nfs/dbraw/zinc/06/66/23/311066623.db2.gz ZFEHONCTVGBGQH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1cncc(OCc2ccccc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000488454557 311066624 /nfs/dbraw/zinc/06/66/24/311066624.db2.gz ZFEHONCTVGBGQH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1cncc(OCc2ccccc2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000488454557 311066625 /nfs/dbraw/zinc/06/66/25/311066625.db2.gz ZFEHONCTVGBGQH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1cncc(OCc2ccccc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000488454557 311066626 /nfs/dbraw/zinc/06/66/26/311066626.db2.gz ZFEHONCTVGBGQH-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC(C)[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000489315955 311099742 /nfs/dbraw/zinc/09/97/42/311099742.db2.gz DXOINRKZVYQJCQ-LJQANCHMSA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000489315955 311099743 /nfs/dbraw/zinc/09/97/43/311099743.db2.gz DXOINRKZVYQJCQ-LJQANCHMSA-N 2 2 339.439 3.286 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000492033425 311210958 /nfs/dbraw/zinc/21/09/58/311210958.db2.gz RHPVWKZXQOHVKM-QXMHVHEDSA-N 2 2 326.444 3.397 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000492829937 311296515 /nfs/dbraw/zinc/29/65/15/311296515.db2.gz BZMFGXRQXXTAKU-WAYWQWQTSA-N 2 2 345.406 3.019 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1)CC(C)C ZINC000493114794 311329103 /nfs/dbraw/zinc/32/91/03/311329103.db2.gz HOFRHDHOGSGNKK-AATRIKPKSA-N 2 2 332.492 3.030 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1)CC(C)C ZINC000493114794 311329105 /nfs/dbraw/zinc/32/91/05/311329105.db2.gz HOFRHDHOGSGNKK-AATRIKPKSA-N 2 2 332.492 3.030 20 0 EGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000493157107 311335545 /nfs/dbraw/zinc/33/55/45/311335545.db2.gz YCWXTDVJROUELN-PKOBYXMFSA-N 2 2 336.545 3.361 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000493237829 311347311 /nfs/dbraw/zinc/34/73/11/311347311.db2.gz VPWZJUYLCVHKNX-KTKRTIGZSA-N 2 2 335.411 3.357 20 0 EGADLP COC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000495623254 311587790 /nfs/dbraw/zinc/58/77/90/311587790.db2.gz ZYARZUVSUQGXBB-HNNXBMFYSA-N 2 2 342.443 3.001 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479376 312050627 /nfs/dbraw/zinc/05/06/27/312050627.db2.gz IUDNOPIYJPUNBD-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479376 312050629 /nfs/dbraw/zinc/05/06/29/312050629.db2.gz IUDNOPIYJPUNBD-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506479376 312050631 /nfs/dbraw/zinc/05/06/31/312050631.db2.gz IUDNOPIYJPUNBD-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506479376 312050632 /nfs/dbraw/zinc/05/06/32/312050632.db2.gz IUDNOPIYJPUNBD-SQNIBIBYSA-N 2 2 337.552 3.266 20 0 EGADLP c1ccc(N2CC[NH+](CCC[NH2+]C3(c4ccccc4)CC3)CC2)cc1 ZINC000508974932 312106611 /nfs/dbraw/zinc/10/66/11/312106611.db2.gz DDJWXNVKWBAMHE-UHFFFAOYSA-N 2 2 335.495 3.478 20 0 EGADLP C[N@H+](CCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CCCC1 ZINC000513423692 312209673 /nfs/dbraw/zinc/20/96/73/312209673.db2.gz OJHUWLBYSPTANY-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP C[N@@H+](CCNC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CCCC1 ZINC000513423692 312209674 /nfs/dbraw/zinc/20/96/74/312209674.db2.gz OJHUWLBYSPTANY-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513476583 312211180 /nfs/dbraw/zinc/21/11/80/312211180.db2.gz OBBQYPLGTNNENR-MRXNPFEDSA-N 3 2 349.485 3.361 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513476583 312211181 /nfs/dbraw/zinc/21/11/81/312211181.db2.gz OBBQYPLGTNNENR-MRXNPFEDSA-N 3 2 349.485 3.361 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000513502821 312212265 /nfs/dbraw/zinc/21/22/65/312212265.db2.gz GLESRQRCPCCYCW-HTAPYJJXSA-N 2 2 338.495 3.319 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000513502821 312212267 /nfs/dbraw/zinc/21/22/67/312212267.db2.gz GLESRQRCPCCYCW-HTAPYJJXSA-N 2 2 338.495 3.319 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000515301113 312275256 /nfs/dbraw/zinc/27/52/56/312275256.db2.gz RRZYLPYETXKBSJ-SJORKVTESA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000515301113 312275257 /nfs/dbraw/zinc/27/52/57/312275257.db2.gz RRZYLPYETXKBSJ-SJORKVTESA-N 2 2 337.467 3.351 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)ccn12 ZINC000515356190 312278567 /nfs/dbraw/zinc/27/85/67/312278567.db2.gz SZJAGYFXCKOIIZ-QFBILLFUSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)ccn12 ZINC000515356190 312278568 /nfs/dbraw/zinc/27/85/68/312278568.db2.gz SZJAGYFXCKOIIZ-QFBILLFUSA-N 2 2 348.450 3.036 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000515364946 312278941 /nfs/dbraw/zinc/27/89/41/312278941.db2.gz ZLZMFJCBGPHCPY-QUCCMNQESA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000515364946 312278942 /nfs/dbraw/zinc/27/89/42/312278942.db2.gz ZLZMFJCBGPHCPY-QUCCMNQESA-N 2 2 334.479 3.380 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223556 312315437 /nfs/dbraw/zinc/31/54/37/312315437.db2.gz XCQSVGDSIQWEPW-UZLBHIALSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223556 312315439 /nfs/dbraw/zinc/31/54/39/312315439.db2.gz XCQSVGDSIQWEPW-UZLBHIALSA-N 2 2 334.467 3.183 20 0 EGADLP CC(C)c1cc(N2CCC(C)([NH+]3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000528190521 313036207 /nfs/dbraw/zinc/03/62/07/313036207.db2.gz USFIRMNTGLTEEI-UHFFFAOYSA-N 2 2 346.519 3.415 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530225990 313501289 /nfs/dbraw/zinc/50/12/89/313501289.db2.gz YILOWBOQLBSWCA-WFASDCNBSA-N 2 2 328.485 3.449 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Br)cc1 ZINC000070143892 454166907 /nfs/dbraw/zinc/16/69/07/454166907.db2.gz RUAHWPJDGZMWRG-NSHDSACASA-N 2 2 337.265 3.099 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000535132063 314028552 /nfs/dbraw/zinc/02/85/52/314028552.db2.gz ADVCOJUZURKUKH-CQSZACIVSA-N 2 2 326.444 3.023 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000535132063 314028557 /nfs/dbraw/zinc/02/85/57/314028557.db2.gz ADVCOJUZURKUKH-CQSZACIVSA-N 2 2 326.444 3.023 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000535689317 314060403 /nfs/dbraw/zinc/06/04/03/314060403.db2.gz FMZHUTJRFBQZPM-OAHLLOKOSA-N 2 2 340.496 3.381 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000535689317 314060406 /nfs/dbraw/zinc/06/04/06/314060406.db2.gz FMZHUTJRFBQZPM-OAHLLOKOSA-N 2 2 340.496 3.381 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)nn3)C2)[nH]1 ZINC000535747040 314067057 /nfs/dbraw/zinc/06/70/57/314067057.db2.gz NPOFXIWAKZPAFP-OAHLLOKOSA-N 2 2 335.411 3.372 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)nn3)C2)[nH]1 ZINC000535747040 314067060 /nfs/dbraw/zinc/06/70/60/314067060.db2.gz NPOFXIWAKZPAFP-OAHLLOKOSA-N 2 2 335.411 3.372 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000536857119 314150377 /nfs/dbraw/zinc/15/03/77/314150377.db2.gz IWOCRSOHAZGANE-BFYDXBDKSA-N 2 2 334.529 3.496 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000536857119 314150383 /nfs/dbraw/zinc/15/03/83/314150383.db2.gz IWOCRSOHAZGANE-BFYDXBDKSA-N 2 2 334.529 3.496 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000536857135 314150702 /nfs/dbraw/zinc/15/07/02/314150702.db2.gz IWOCRSOHAZGANE-HLLBOEOZSA-N 2 2 334.529 3.496 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000536857135 314150705 /nfs/dbraw/zinc/15/07/05/314150705.db2.gz IWOCRSOHAZGANE-HLLBOEOZSA-N 2 2 334.529 3.496 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000538394457 314244610 /nfs/dbraw/zinc/24/46/10/314244610.db2.gz ATTPQWQOBPXOMA-MHTWAQMVSA-N 2 2 342.527 3.472 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000538394457 314244611 /nfs/dbraw/zinc/24/46/11/314244611.db2.gz ATTPQWQOBPXOMA-MHTWAQMVSA-N 2 2 342.527 3.472 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1 ZINC000538652087 314260931 /nfs/dbraw/zinc/26/09/31/314260931.db2.gz KRXBWXHGVYGYKN-IBGZPJMESA-N 2 2 348.450 3.386 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1 ZINC000538652087 314260934 /nfs/dbraw/zinc/26/09/34/314260934.db2.gz KRXBWXHGVYGYKN-IBGZPJMESA-N 2 2 348.450 3.386 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750937 314273270 /nfs/dbraw/zinc/27/32/70/314273270.db2.gz HATIZSILEAMCDS-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750937 314273272 /nfs/dbraw/zinc/27/32/72/314273272.db2.gz HATIZSILEAMCDS-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@@H](C[N@H+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750937 314273274 /nfs/dbraw/zinc/27/32/74/314273274.db2.gz HATIZSILEAMCDS-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC3CC3)C1)O[C@@H](C)C2 ZINC000538750937 314273275 /nfs/dbraw/zinc/27/32/75/314273275.db2.gz HATIZSILEAMCDS-RDJZCZTQSA-N 2 2 344.499 3.182 20 0 EGADLP CCCc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C(C)C)cc1 ZINC000540301719 314373276 /nfs/dbraw/zinc/37/32/76/314373276.db2.gz NTQDLOQDRYAERG-WOJBJXKFSA-N 2 2 345.531 3.266 20 0 EGADLP CCCc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C(C)C)cc1 ZINC000540301719 314373277 /nfs/dbraw/zinc/37/32/77/314373277.db2.gz NTQDLOQDRYAERG-WOJBJXKFSA-N 2 2 345.531 3.266 20 0 EGADLP Cc1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)nc(C2CC2)[nH+]1 ZINC000540392115 314378004 /nfs/dbraw/zinc/37/80/04/314378004.db2.gz RMVODYUTJCKMCQ-UHFFFAOYSA-N 2 2 337.471 3.472 20 0 EGADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000547528651 314914233 /nfs/dbraw/zinc/91/42/33/314914233.db2.gz IWSISMOFAJNRNC-UHFFFAOYSA-N 2 2 349.523 3.007 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000548635168 315028775 /nfs/dbraw/zinc/02/87/75/315028775.db2.gz ZIPVHTTYQXIOAH-DZGCQCFKSA-N 2 2 346.862 3.167 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000548793062 315048161 /nfs/dbraw/zinc/04/81/61/315048161.db2.gz VCBHKIKRJNRTSL-MRXNPFEDSA-N 2 2 331.460 3.210 20 0 EGADLP CCc1ccc([C@H](C[NH2+]CCC(=O)Nc2ccccc2)[NH+](C)C)cc1 ZINC000548826351 315052397 /nfs/dbraw/zinc/05/23/97/315052397.db2.gz YEIXHNORAAMVPU-FQEVSTJZSA-N 2 2 339.483 3.470 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)c2ccccc21 ZINC000549232966 315082734 /nfs/dbraw/zinc/08/27/34/315082734.db2.gz MDKZCXNQYQLMQH-LZQZEXGQSA-N 2 2 330.472 3.100 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)c2ccccc21 ZINC000549232966 315082737 /nfs/dbraw/zinc/08/27/37/315082737.db2.gz MDKZCXNQYQLMQH-LZQZEXGQSA-N 2 2 330.472 3.100 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549780913 315104033 /nfs/dbraw/zinc/10/40/33/315104033.db2.gz XYTGUJIEYWOLTI-RVZJWNSFSA-N 2 2 349.316 3.379 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000549780913 315104035 /nfs/dbraw/zinc/10/40/35/315104035.db2.gz XYTGUJIEYWOLTI-RVZJWNSFSA-N 2 2 349.316 3.379 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c(C)c[nH+]1 ZINC000551906193 315177178 /nfs/dbraw/zinc/17/71/78/315177178.db2.gz WGEVELLLJMPSCN-QGZVFWFLSA-N 2 2 346.862 3.198 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193381 /nfs/dbraw/zinc/19/33/81/315193381.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193382 /nfs/dbraw/zinc/19/33/82/315193382.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193383 /nfs/dbraw/zinc/19/33/83/315193383.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552049505 315193384 /nfs/dbraw/zinc/19/33/84/315193384.db2.gz XPFMWORSWQUZFN-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP CCc1[nH+]c2ccccc2c(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1C ZINC000554475770 315320738 /nfs/dbraw/zinc/32/07/38/315320738.db2.gz IFKPWIKBQCHVIH-UHFFFAOYSA-N 2 2 335.455 3.151 20 0 EGADLP Cc1ccsc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000554862611 315353366 /nfs/dbraw/zinc/35/33/66/315353366.db2.gz HWILLWNFLNXNHM-OAHLLOKOSA-N 2 2 329.469 3.174 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000555424713 315384006 /nfs/dbraw/zinc/38/40/06/315384006.db2.gz ZRYJWFUZHUOLRV-UHFFFAOYSA-N 2 2 337.427 3.442 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCOCC4)CC2)cc1 ZINC000558623674 315584754 /nfs/dbraw/zinc/58/47/54/315584754.db2.gz DOSUYTYGAGGQDH-IBGZPJMESA-N 2 2 332.463 3.339 20 0 EGADLP FC1(F)CCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000563352376 316003315 /nfs/dbraw/zinc/00/33/15/316003315.db2.gz COBHMLILGPQKIG-LLVKDONJSA-N 2 2 330.342 3.058 20 0 EGADLP CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354670 316004225 /nfs/dbraw/zinc/00/42/25/316004225.db2.gz NSTRVNPYHQZOKF-HOTGVXAUSA-N 2 2 332.410 3.449 20 0 EGADLP CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354670 316004228 /nfs/dbraw/zinc/00/42/28/316004228.db2.gz NSTRVNPYHQZOKF-HOTGVXAUSA-N 2 2 332.410 3.449 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCC[NH+]3CCCCC3)ccn12 ZINC000563374200 316010517 /nfs/dbraw/zinc/01/05/17/316010517.db2.gz PERROMACIIRYNN-UHFFFAOYSA-N 2 2 328.460 3.029 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570281 316039884 /nfs/dbraw/zinc/03/98/84/316039884.db2.gz BDULZNVNLWBCMP-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570281 316039887 /nfs/dbraw/zinc/03/98/87/316039887.db2.gz BDULZNVNLWBCMP-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2sccc2Br)C1 ZINC000563570281 316039890 /nfs/dbraw/zinc/03/98/90/316039890.db2.gz BDULZNVNLWBCMP-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP COc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000563670482 316053079 /nfs/dbraw/zinc/05/30/79/316053079.db2.gz RQRREPLVZFQMMV-FUHWJXTLSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000563670482 316053082 /nfs/dbraw/zinc/05/30/82/316053082.db2.gz RQRREPLVZFQMMV-FUHWJXTLSA-N 2 2 341.455 3.314 20 0 EGADLP O=C(CC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)Nc1ccc(Cl)cc1 ZINC000564863171 316221464 /nfs/dbraw/zinc/22/14/64/316221464.db2.gz FQCSJZSORLUWBJ-QGZVFWFLSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)Nc1ccc(Cl)cc1 ZINC000564863171 316221469 /nfs/dbraw/zinc/22/14/69/316221469.db2.gz FQCSJZSORLUWBJ-QGZVFWFLSA-N 2 2 335.879 3.275 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)c1OC ZINC000565156872 316277048 /nfs/dbraw/zinc/27/70/48/316277048.db2.gz MYTYLLKNTDLCRR-STQMWFEESA-N 2 2 347.484 3.139 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)c1OC ZINC000565156872 316277051 /nfs/dbraw/zinc/27/70/51/316277051.db2.gz MYTYLLKNTDLCRR-STQMWFEESA-N 2 2 347.484 3.139 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000565489407 316330911 /nfs/dbraw/zinc/33/09/11/316330911.db2.gz VXZYGJGIRNWIGQ-INIZCTEOSA-N 2 2 336.907 3.458 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000565489407 316330913 /nfs/dbraw/zinc/33/09/13/316330913.db2.gz VXZYGJGIRNWIGQ-INIZCTEOSA-N 2 2 336.907 3.458 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc21 ZINC000570442110 317055714 /nfs/dbraw/zinc/05/57/14/317055714.db2.gz OLBSMVCOTFRUHK-JLZZUVOBSA-N 2 2 341.842 3.180 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc21 ZINC000570442108 317055933 /nfs/dbraw/zinc/05/59/33/317055933.db2.gz OLBSMVCOTFRUHK-CSMYWGQOSA-N 2 2 341.842 3.180 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000570817542 317113152 /nfs/dbraw/zinc/11/31/52/317113152.db2.gz FQGJKPFVPHFWKP-ZWKOTPCHSA-N 2 2 340.471 3.263 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000570817542 317113155 /nfs/dbraw/zinc/11/31/55/317113155.db2.gz FQGJKPFVPHFWKP-ZWKOTPCHSA-N 2 2 340.471 3.263 20 0 EGADLP CCCCOc1ccccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000571006221 317137696 /nfs/dbraw/zinc/13/76/96/317137696.db2.gz ANEKRPISIYGYFI-UHFFFAOYSA-N 2 2 347.547 3.323 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)n1C ZINC000571061230 317146549 /nfs/dbraw/zinc/14/65/49/317146549.db2.gz QMCOEGDNCAXSLZ-FOIQADDNSA-N 2 2 343.471 3.144 20 0 EGADLP C[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000571158809 317158795 /nfs/dbraw/zinc/15/87/95/317158795.db2.gz XLXDQPLLYVUJCW-NQIIRXRSSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000571158809 317158799 /nfs/dbraw/zinc/15/87/99/317158799.db2.gz XLXDQPLLYVUJCW-NQIIRXRSSA-N 2 2 326.484 3.090 20 0 EGADLP Cc1c[nH+]ccc1CC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000571204001 317166097 /nfs/dbraw/zinc/16/60/97/317166097.db2.gz DVKNYRVCBCEPRW-UHFFFAOYSA-N 2 2 336.414 3.316 20 0 EGADLP Cc1c[nH+]ccc1CC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000571204001 317166099 /nfs/dbraw/zinc/16/60/99/317166099.db2.gz DVKNYRVCBCEPRW-UHFFFAOYSA-N 2 2 336.414 3.316 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222102 317167818 /nfs/dbraw/zinc/16/78/18/317167818.db2.gz XRRPQSHJLRHLCL-OXJNMPFZSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222102 317167820 /nfs/dbraw/zinc/16/78/20/317167820.db2.gz XRRPQSHJLRHLCL-OXJNMPFZSA-N 2 2 334.467 3.498 20 0 EGADLP Cc1[nH+]c2cc(NCc3cccc4[nH+]ccn43)ccc2n1[C@H](C)CO ZINC000571898187 317264162 /nfs/dbraw/zinc/26/41/62/317264162.db2.gz PIHLOCHXFARDLO-CYBMUJFWSA-N 2 2 335.411 3.158 20 0 EGADLP C[C@@H](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)n1cc[nH+]c1 ZINC000351427971 324235568 /nfs/dbraw/zinc/23/55/68/324235568.db2.gz ZKONGGPFVSHJMN-HNNXBMFYSA-N 2 2 337.427 3.333 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000381857975 324247883 /nfs/dbraw/zinc/24/78/83/324247883.db2.gz UWUFBPRRLKDDJI-ZDUSSCGKSA-N 2 2 341.293 3.278 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(Br)c1 ZINC000381857975 324247884 /nfs/dbraw/zinc/24/78/84/324247884.db2.gz UWUFBPRRLKDDJI-ZDUSSCGKSA-N 2 2 341.293 3.278 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000578662689 325001199 /nfs/dbraw/zinc/00/11/99/325001199.db2.gz SBIBQGWCPRAAHY-IZBJGVDFSA-N 2 2 346.515 3.464 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000578662689 325001201 /nfs/dbraw/zinc/00/12/01/325001201.db2.gz SBIBQGWCPRAAHY-IZBJGVDFSA-N 2 2 346.515 3.464 20 0 EGADLP CSCC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1nnc2ccccn21 ZINC000579707511 325148730 /nfs/dbraw/zinc/14/87/30/325148730.db2.gz GGOBILYNSNEHIT-INIZCTEOSA-N 2 2 341.484 3.059 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4ccc(C)cn34)ccc2n1[C@H](C)CO ZINC000579816944 325162777 /nfs/dbraw/zinc/16/27/77/325162777.db2.gz VTUFZPKDCRBHHB-CQSZACIVSA-N 2 2 349.438 3.466 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)Cc1ccccc1)[NH+](C)C ZINC000580829525 325300073 /nfs/dbraw/zinc/30/00/73/325300073.db2.gz PIBKLLUPVFEYQB-DSKINZAPSA-N 2 2 326.484 3.179 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000277088598 456676417 /nfs/dbraw/zinc/67/64/17/456676417.db2.gz MWXVOJFQLBVYCQ-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000277088598 456676425 /nfs/dbraw/zinc/67/64/25/456676425.db2.gz MWXVOJFQLBVYCQ-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000354019117 457013902 /nfs/dbraw/zinc/01/39/02/457013902.db2.gz ULGPKMGENZYCHN-XZJROXQQSA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000354019117 457013908 /nfs/dbraw/zinc/01/39/08/457013908.db2.gz ULGPKMGENZYCHN-XZJROXQQSA-N 2 2 331.287 3.347 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000354077911 457046923 /nfs/dbraw/zinc/04/69/23/457046923.db2.gz KFTLMFNEVOEGOP-CQSZACIVSA-N 2 2 330.394 3.037 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000354077911 457046931 /nfs/dbraw/zinc/04/69/31/457046931.db2.gz KFTLMFNEVOEGOP-CQSZACIVSA-N 2 2 330.394 3.037 20 0 EGADLP Brc1c[nH+]ccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000340021489 457320772 /nfs/dbraw/zinc/32/07/72/457320772.db2.gz ILSLCFTVHCNHES-UHFFFAOYSA-N 2 2 331.217 3.187 20 0 EGADLP [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237852958 455225728 /nfs/dbraw/zinc/22/57/28/455225728.db2.gz ZZPCBOXQOMVHQM-AWEZNQCLSA-N 2 2 345.830 3.481 20 0 EGADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000430640064 458474573 /nfs/dbraw/zinc/47/45/73/458474573.db2.gz JJONDOWNWFPNJE-UHFFFAOYSA-N 2 2 349.219 3.234 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373388142 458478996 /nfs/dbraw/zinc/47/89/96/458478996.db2.gz NCUAPCYDYMMWMA-RYUDHWBXSA-N 2 2 327.241 3.305 20 0 EGADLP COc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000605322424 460564987 /nfs/dbraw/zinc/56/49/87/460564987.db2.gz LYVHFAUBDAFFMX-HNNXBMFYSA-N 2 2 338.879 3.082 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000264866445 455295397 /nfs/dbraw/zinc/29/53/97/455295397.db2.gz UIKSWQQQUVXIBF-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cn2)CC1 ZINC000264866445 455295401 /nfs/dbraw/zinc/29/54/01/455295401.db2.gz UIKSWQQQUVXIBF-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439488 455300862 /nfs/dbraw/zinc/30/08/62/455300862.db2.gz SXHHTXTUTGQDBD-IEBWSBKVSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439488 455300865 /nfs/dbraw/zinc/30/08/65/455300865.db2.gz SXHHTXTUTGQDBD-IEBWSBKVSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439488 455300869 /nfs/dbraw/zinc/30/08/69/455300869.db2.gz SXHHTXTUTGQDBD-IEBWSBKVSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439488 455300873 /nfs/dbraw/zinc/30/08/73/455300873.db2.gz SXHHTXTUTGQDBD-IEBWSBKVSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245680488 455353670 /nfs/dbraw/zinc/35/36/70/455353670.db2.gz HEVAFKFCCFIERM-UHOSZYNNSA-N 2 2 337.552 3.218 20 0 EGADLP CCC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245680488 455353674 /nfs/dbraw/zinc/35/36/74/455353674.db2.gz HEVAFKFCCFIERM-UHOSZYNNSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356132 453767677 /nfs/dbraw/zinc/76/76/77/453767677.db2.gz DAYZZSAXJYINHB-OAHLLOKOSA-N 2 2 335.407 3.494 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533026 453883784 /nfs/dbraw/zinc/88/37/84/453883784.db2.gz AAABUTHPLDMIDU-HOTGVXAUSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533026 453883787 /nfs/dbraw/zinc/88/37/87/453883787.db2.gz AAABUTHPLDMIDU-HOTGVXAUSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533026 453883788 /nfs/dbraw/zinc/88/37/88/453883788.db2.gz AAABUTHPLDMIDU-HOTGVXAUSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533026 453883791 /nfs/dbraw/zinc/88/37/91/453883791.db2.gz AAABUTHPLDMIDU-HOTGVXAUSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533030 453883891 /nfs/dbraw/zinc/88/38/91/453883891.db2.gz AAABUTHPLDMIDU-JKSUJKDBSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533030 453883893 /nfs/dbraw/zinc/88/38/93/453883893.db2.gz AAABUTHPLDMIDU-JKSUJKDBSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533030 453883895 /nfs/dbraw/zinc/88/38/95/453883895.db2.gz AAABUTHPLDMIDU-JKSUJKDBSA-N 2 2 328.460 3.461 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000081533030 453883897 /nfs/dbraw/zinc/88/38/97/453883897.db2.gz AAABUTHPLDMIDU-JKSUJKDBSA-N 2 2 328.460 3.461 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000081604327 453894880 /nfs/dbraw/zinc/89/48/80/453894880.db2.gz BQTMPXABYUBWBO-SFHVURJKSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000081604327 453894883 /nfs/dbraw/zinc/89/48/83/453894883.db2.gz BQTMPXABYUBWBO-SFHVURJKSA-N 2 2 349.906 3.076 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630220 453898342 /nfs/dbraw/zinc/89/83/42/453898342.db2.gz BUTZZKSUJHROJG-CQSZACIVSA-N 2 2 336.863 3.232 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630220 453898345 /nfs/dbraw/zinc/89/83/45/453898345.db2.gz BUTZZKSUJHROJG-CQSZACIVSA-N 2 2 336.863 3.232 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630220 453898350 /nfs/dbraw/zinc/89/83/50/453898350.db2.gz BUTZZKSUJHROJG-CQSZACIVSA-N 2 2 336.863 3.232 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000081630220 453898355 /nfs/dbraw/zinc/89/83/55/453898355.db2.gz BUTZZKSUJHROJG-CQSZACIVSA-N 2 2 336.863 3.232 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000075827211 453928475 /nfs/dbraw/zinc/92/84/75/453928475.db2.gz JKRZQBWRLBDBCL-UHFFFAOYSA-N 2 2 337.467 3.399 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000076001162 453947875 /nfs/dbraw/zinc/94/78/75/453947875.db2.gz GEULJDKEHXYPJR-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000076001162 453947877 /nfs/dbraw/zinc/94/78/77/453947877.db2.gz GEULJDKEHXYPJR-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000076002702 453947901 /nfs/dbraw/zinc/94/79/01/453947901.db2.gz GXLFWCOBWAJZTO-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000076002702 453947906 /nfs/dbraw/zinc/94/79/06/453947906.db2.gz GXLFWCOBWAJZTO-CRAIPNDOSA-N 2 2 349.906 3.109 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1Cl ZINC000068384077 454022007 /nfs/dbraw/zinc/02/20/07/454022007.db2.gz XSDVJJYDALYBGS-MRXNPFEDSA-N 2 2 342.830 3.020 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000076898183 454046819 /nfs/dbraw/zinc/04/68/19/454046819.db2.gz AMDLTLOUHAGTFF-KRWDZBQOSA-N 2 2 332.488 3.208 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077445267 454107041 /nfs/dbraw/zinc/10/70/41/454107041.db2.gz FQVASKNBXAXAEE-OAHLLOKOSA-N 2 2 341.459 3.083 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1COc2ccccc2O1 ZINC000057593683 454137216 /nfs/dbraw/zinc/13/72/16/454137216.db2.gz RTURUWBDBLVFAI-SFHVURJKSA-N 2 2 335.407 3.144 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1COc2ccccc2O1 ZINC000057593683 454137218 /nfs/dbraw/zinc/13/72/18/454137218.db2.gz RTURUWBDBLVFAI-SFHVURJKSA-N 2 2 335.407 3.144 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069982799 454162505 /nfs/dbraw/zinc/16/25/05/454162505.db2.gz HRCGXNJYGDKBLO-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069982799 454162508 /nfs/dbraw/zinc/16/25/08/454162508.db2.gz HRCGXNJYGDKBLO-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000069982799 454162511 /nfs/dbraw/zinc/16/25/11/454162511.db2.gz HRCGXNJYGDKBLO-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000069982799 454162514 /nfs/dbraw/zinc/16/25/14/454162514.db2.gz HRCGXNJYGDKBLO-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000130402414 454195843 /nfs/dbraw/zinc/19/58/43/454195843.db2.gz JKKQTXBPPILBTB-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000130402414 454195849 /nfs/dbraw/zinc/19/58/49/454195849.db2.gz JKKQTXBPPILBTB-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP Fc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)ccc1OC(F)F ZINC000095437358 454212733 /nfs/dbraw/zinc/21/27/33/454212733.db2.gz RFJMYQJUQMJQNY-UHFFFAOYSA-N 2 2 348.328 3.298 20 0 EGADLP CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072073515 454271476 /nfs/dbraw/zinc/27/14/76/454271476.db2.gz ZORBHKMJBWNJFX-SFHVURJKSA-N 2 2 340.471 3.001 20 0 EGADLP CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000072073515 454271479 /nfs/dbraw/zinc/27/14/79/454271479.db2.gz ZORBHKMJBWNJFX-SFHVURJKSA-N 2 2 340.471 3.001 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124028 455432017 /nfs/dbraw/zinc/43/20/17/455432017.db2.gz DJNOBIQTULCSAX-MSOLQXFVSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124028 455432022 /nfs/dbraw/zinc/43/20/22/455432022.db2.gz DJNOBIQTULCSAX-MSOLQXFVSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124028 455432027 /nfs/dbraw/zinc/43/20/27/455432027.db2.gz DJNOBIQTULCSAX-MSOLQXFVSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124028 455432032 /nfs/dbraw/zinc/43/20/32/455432032.db2.gz DJNOBIQTULCSAX-MSOLQXFVSA-N 2 2 331.504 3.092 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704703 454302866 /nfs/dbraw/zinc/30/28/66/454302866.db2.gz BAFDGRLJAVKOAG-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704703 454302871 /nfs/dbraw/zinc/30/28/71/454302871.db2.gz BAFDGRLJAVKOAG-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000078704703 454302874 /nfs/dbraw/zinc/30/28/74/454302874.db2.gz BAFDGRLJAVKOAG-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP CCCN(CCC)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000078704703 454302877 /nfs/dbraw/zinc/30/28/77/454302877.db2.gz BAFDGRLJAVKOAG-OALUTQOASA-N 2 2 337.552 3.221 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000090525094 454316380 /nfs/dbraw/zinc/31/63/80/454316380.db2.gz HDRNGVAEJLZWJB-AGRHKRQWSA-N 2 2 338.442 3.383 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000132143885 454316684 /nfs/dbraw/zinc/31/66/84/454316684.db2.gz BROSXIDKMWQMSR-UHFFFAOYSA-N 3 2 337.939 3.482 20 0 EGADLP CCOc1cccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000090578022 454322164 /nfs/dbraw/zinc/32/21/64/454322164.db2.gz BPWGKKGWRJYHSA-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936787 454352021 /nfs/dbraw/zinc/35/20/21/454352021.db2.gz GIUNQLDHFWJQJY-GRDNDAEWSA-N 2 2 328.859 3.487 20 0 EGADLP CC[C@@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936787 454352022 /nfs/dbraw/zinc/35/20/22/454352022.db2.gz GIUNQLDHFWJQJY-GRDNDAEWSA-N 2 2 328.859 3.487 20 0 EGADLP C[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)Cn1cc[nH+]c1 ZINC000062254408 454372606 /nfs/dbraw/zinc/37/26/06/454372606.db2.gz FMVKEJRIMNFTCC-HNNXBMFYSA-N 2 2 343.862 3.207 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000097139192 454413893 /nfs/dbraw/zinc/41/38/93/454413893.db2.gz GTETXRGPHYTGJX-INIZCTEOSA-N 2 2 343.471 3.200 20 0 EGADLP COc1cc(C)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000097139192 454413899 /nfs/dbraw/zinc/41/38/99/454413899.db2.gz GTETXRGPHYTGJX-INIZCTEOSA-N 2 2 343.471 3.200 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121324607 454421215 /nfs/dbraw/zinc/42/12/15/454421215.db2.gz ULBFZVREJFROIF-UFYCRDLUSA-N 2 2 344.474 3.337 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000133547497 454438824 /nfs/dbraw/zinc/43/88/24/454438824.db2.gz SCWXZBIAZUSEAU-OAHLLOKOSA-N 2 2 325.859 3.085 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000133547497 454438826 /nfs/dbraw/zinc/43/88/26/454438826.db2.gz SCWXZBIAZUSEAU-OAHLLOKOSA-N 2 2 325.859 3.085 20 0 EGADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000133677654 454454606 /nfs/dbraw/zinc/45/46/06/454454606.db2.gz AFLLROYNEOTGMS-QGZVFWFLSA-N 2 2 331.847 3.027 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000098144654 454462402 /nfs/dbraw/zinc/46/24/02/454462402.db2.gz ZMUJWIPEOWYSDS-YSSFQJQWSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000098144654 454462405 /nfs/dbraw/zinc/46/24/05/454462405.db2.gz ZMUJWIPEOWYSDS-YSSFQJQWSA-N 2 2 328.431 3.284 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000121707692 454468128 /nfs/dbraw/zinc/46/81/28/454468128.db2.gz YNEJDGVSVDBREQ-APWZRJJASA-N 2 2 326.488 3.426 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000121707692 454468131 /nfs/dbraw/zinc/46/81/31/454468131.db2.gz YNEJDGVSVDBREQ-APWZRJJASA-N 2 2 326.488 3.426 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000092043658 454508401 /nfs/dbraw/zinc/50/84/01/454508401.db2.gz SCUUXFUKRXJFDA-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1OC ZINC000092043658 454508406 /nfs/dbraw/zinc/50/84/06/454508406.db2.gz SCUUXFUKRXJFDA-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1OC ZINC000092043658 454508407 /nfs/dbraw/zinc/50/84/07/454508407.db2.gz SCUUXFUKRXJFDA-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Cl)c1OC ZINC000092043658 454508409 /nfs/dbraw/zinc/50/84/09/454508409.db2.gz SCUUXFUKRXJFDA-HIFRSBDPSA-N 2 2 338.879 3.273 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccsc3)c2cc1C ZINC000051127504 454611001 /nfs/dbraw/zinc/61/10/01/454611001.db2.gz CZXBDENIFMQYQV-INIZCTEOSA-N 2 2 329.469 3.208 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccsc3)c2cc1C ZINC000051127504 454611007 /nfs/dbraw/zinc/61/10/07/454611007.db2.gz CZXBDENIFMQYQV-INIZCTEOSA-N 2 2 329.469 3.208 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000123653362 454660525 /nfs/dbraw/zinc/66/05/25/454660525.db2.gz NHIDMZULMCLAKD-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000123653362 454660527 /nfs/dbraw/zinc/66/05/27/454660527.db2.gz NHIDMZULMCLAKD-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123844196 454680924 /nfs/dbraw/zinc/68/09/24/454680924.db2.gz KPGMCWCWXOBSKJ-MRXNPFEDSA-N 2 2 328.460 3.113 20 0 EGADLP FC(F)COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865809 454741692 /nfs/dbraw/zinc/74/16/92/454741692.db2.gz XLBNPNHSLZIIBQ-QGZVFWFLSA-N 2 2 334.366 3.379 20 0 EGADLP FC(F)COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865809 454741694 /nfs/dbraw/zinc/74/16/94/454741694.db2.gz XLBNPNHSLZIIBQ-QGZVFWFLSA-N 2 2 334.366 3.379 20 0 EGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccccn3)CC2)c1 ZINC000107318791 454751512 /nfs/dbraw/zinc/75/15/12/454751512.db2.gz NMABNAUZUSDPQB-UHFFFAOYSA-N 2 2 344.890 3.037 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000153307303 454781084 /nfs/dbraw/zinc/78/10/84/454781084.db2.gz CJOGVOWDVMULPH-RHSMWYFYSA-N 2 2 342.430 3.297 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035138 454814011 /nfs/dbraw/zinc/81/40/11/454814011.db2.gz PAVIMRVKXWPJLX-AZUAARDMSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035138 454814013 /nfs/dbraw/zinc/81/40/13/454814013.db2.gz PAVIMRVKXWPJLX-AZUAARDMSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035138 454814015 /nfs/dbraw/zinc/81/40/15/454814015.db2.gz PAVIMRVKXWPJLX-AZUAARDMSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000177035138 454814017 /nfs/dbraw/zinc/81/40/17/454814017.db2.gz PAVIMRVKXWPJLX-AZUAARDMSA-N 2 2 345.531 3.087 20 0 EGADLP Fc1ccccc1CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162977153 454814259 /nfs/dbraw/zinc/81/42/59/454814259.db2.gz RDVHALNBIIKXDS-UHFFFAOYSA-N 2 2 334.358 3.004 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000163239378 454833311 /nfs/dbraw/zinc/83/33/11/454833311.db2.gz FAPXZPGYVLJTOU-FSAOVCISSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000163239378 454833314 /nfs/dbraw/zinc/83/33/14/454833314.db2.gz FAPXZPGYVLJTOU-FSAOVCISSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000163239378 454833315 /nfs/dbraw/zinc/83/33/15/454833315.db2.gz FAPXZPGYVLJTOU-FSAOVCISSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795992 454836890 /nfs/dbraw/zinc/83/68/90/454836890.db2.gz JSDJXGMIOKONBQ-ZDUSSCGKSA-N 2 2 332.835 3.201 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795937 454837057 /nfs/dbraw/zinc/83/70/57/454837057.db2.gz FITKNLHWQHJEFW-UHFFFAOYSA-N 2 2 326.444 3.030 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796146 454837066 /nfs/dbraw/zinc/83/70/66/454837066.db2.gz LESBHGYBXGYVOU-CQSZACIVSA-N 2 2 344.484 3.269 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000177264120 454844686 /nfs/dbraw/zinc/84/46/86/454844686.db2.gz SAWJIIMWRYFRNG-MRXNPFEDSA-N 2 2 334.460 3.079 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000177264120 454844689 /nfs/dbraw/zinc/84/46/89/454844689.db2.gz SAWJIIMWRYFRNG-MRXNPFEDSA-N 2 2 334.460 3.079 20 0 EGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000163517354 454852867 /nfs/dbraw/zinc/85/28/67/454852867.db2.gz RJIDGKVJOTWHJT-HXUWFJFHSA-N 2 2 325.431 3.462 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CCCO2 ZINC000163789245 454865015 /nfs/dbraw/zinc/86/50/15/454865015.db2.gz OTWORQURQIXYQW-QGZVFWFLSA-N 2 2 327.428 3.396 20 0 EGADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)OCCO2 ZINC000163807104 454865805 /nfs/dbraw/zinc/86/58/05/454865805.db2.gz VILSMDQVFRXLTL-MRXNPFEDSA-N 2 2 327.428 3.396 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000164408030 454881254 /nfs/dbraw/zinc/88/12/54/454881254.db2.gz FAQINLYVHQFHGH-GOSISDBHSA-N 2 2 348.535 3.397 20 0 EGADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000154390277 454891624 /nfs/dbraw/zinc/89/16/24/454891624.db2.gz BCSCHMYVIMAMLM-YLJYHZDGSA-N 2 2 342.483 3.147 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150820077 454897627 /nfs/dbraw/zinc/89/76/27/454897627.db2.gz QUHNOZKUCYQNJZ-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150820077 454897632 /nfs/dbraw/zinc/89/76/32/454897632.db2.gz QUHNOZKUCYQNJZ-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309495 454897979 /nfs/dbraw/zinc/89/79/79/454897979.db2.gz RIPLJFWZMYRCKA-HUUCEWRRSA-N 2 2 345.466 3.097 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000155272902 454981602 /nfs/dbraw/zinc/98/16/02/454981602.db2.gz NOSGTDHXHSAJJI-RBUKOAKNSA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000155272902 454981605 /nfs/dbraw/zinc/98/16/05/454981605.db2.gz NOSGTDHXHSAJJI-RBUKOAKNSA-N 2 2 331.504 3.060 20 0 EGADLP C[C@@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127750824 454994213 /nfs/dbraw/zinc/99/42/13/454994213.db2.gz JGGQUQQVLXARRL-QAPCUYQASA-N 2 2 341.459 3.060 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000151725973 455022619 /nfs/dbraw/zinc/02/26/19/455022619.db2.gz XZBKGMLNWIVDPK-OAHLLOKOSA-N 2 2 336.501 3.151 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)s1 ZINC000151725973 455022622 /nfs/dbraw/zinc/02/26/22/455022622.db2.gz XZBKGMLNWIVDPK-OAHLLOKOSA-N 2 2 336.501 3.151 20 0 EGADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116397337 455055154 /nfs/dbraw/zinc/05/51/54/455055154.db2.gz DFEJMKUTGISONK-KDOFPFPSSA-N 2 2 347.503 3.172 20 0 EGADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396777 455055420 /nfs/dbraw/zinc/05/54/20/455055420.db2.gz ROKSKSFBWYDNII-KSSFIOAISA-N 2 2 347.503 3.172 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000156146046 455086771 /nfs/dbraw/zinc/08/67/71/455086771.db2.gz JAIVSUIDZGMEFO-WCQYABFASA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000156146046 455086773 /nfs/dbraw/zinc/08/67/73/455086773.db2.gz JAIVSUIDZGMEFO-WCQYABFASA-N 2 2 327.266 3.030 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)[NH+](CC)CC)[C@H]1CCOC1 ZINC000119049280 455122718 /nfs/dbraw/zinc/12/27/18/455122718.db2.gz YSXZVOYSDHOMKV-IHPCNDPISA-N 2 2 334.504 3.483 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156510460 455126627 /nfs/dbraw/zinc/12/66/27/455126627.db2.gz KMRLXACILZAHLK-CXAGYDPISA-N 2 2 346.862 3.367 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156510460 455126631 /nfs/dbraw/zinc/12/66/31/455126631.db2.gz KMRLXACILZAHLK-CXAGYDPISA-N 2 2 346.862 3.367 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000172305551 455144559 /nfs/dbraw/zinc/14/45/59/455144559.db2.gz YBPDDZWHDOZGPD-UHFFFAOYSA-N 2 2 345.512 3.089 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000172305551 455144562 /nfs/dbraw/zinc/14/45/62/455144562.db2.gz YBPDDZWHDOZGPD-UHFFFAOYSA-N 2 2 345.512 3.089 20 0 EGADLP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180207283 455148303 /nfs/dbraw/zinc/14/83/03/455148303.db2.gz BATDHNVPVFJCME-UXHICEINSA-N 2 2 346.434 3.048 20 0 EGADLP C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180207283 455148305 /nfs/dbraw/zinc/14/83/05/455148305.db2.gz BATDHNVPVFJCME-UXHICEINSA-N 2 2 346.434 3.048 20 0 EGADLP COc1cccc([C@H](C[NH2+]Cc2ccc(O)cc2)[NH+]2CCCC2)c1 ZINC000237316507 455172515 /nfs/dbraw/zinc/17/25/15/455172515.db2.gz NCFAIYOSYJWDDB-FQEVSTJZSA-N 2 2 326.440 3.328 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000237362882 455177223 /nfs/dbraw/zinc/17/72/23/455177223.db2.gz RYZUIYNXMZPNFL-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000237362882 455177226 /nfs/dbraw/zinc/17/72/26/455177226.db2.gz RYZUIYNXMZPNFL-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP Cc1sc2nc([C@H](C)[N@H+](C)CCCn3cc[nH+]c3)nc(N)c2c1C ZINC000181117172 455290593 /nfs/dbraw/zinc/29/05/93/455290593.db2.gz GTMVBLWSOKYSBB-LBPRGKRZSA-N 2 2 344.488 3.170 20 0 EGADLP Cc1sc2nc([C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)nc(N)c2c1C ZINC000181117172 455290595 /nfs/dbraw/zinc/29/05/95/455290595.db2.gz GTMVBLWSOKYSBB-LBPRGKRZSA-N 2 2 344.488 3.170 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157359542 455187597 /nfs/dbraw/zinc/18/75/97/455187597.db2.gz ZCLASYKESROLHN-ICSRJNTNSA-N 2 2 347.547 3.332 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157359542 455187603 /nfs/dbraw/zinc/18/76/03/455187603.db2.gz ZCLASYKESROLHN-ICSRJNTNSA-N 2 2 347.547 3.332 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000157486477 455199364 /nfs/dbraw/zinc/19/93/64/455199364.db2.gz AXNOKNSWOWKQSF-FQEVSTJZSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000157486477 455199367 /nfs/dbraw/zinc/19/93/67/455199367.db2.gz AXNOKNSWOWKQSF-FQEVSTJZSA-N 2 2 349.494 3.055 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000264835133 455289368 /nfs/dbraw/zinc/28/93/68/455289368.db2.gz BHDZGABWRJHZLJ-UHFFFAOYSA-N 2 2 337.423 3.042 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442537 455301535 /nfs/dbraw/zinc/30/15/35/455301535.db2.gz ICLTZISYCBOUAQ-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442537 455301539 /nfs/dbraw/zinc/30/15/39/455301539.db2.gz ICLTZISYCBOUAQ-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442537 455301543 /nfs/dbraw/zinc/30/15/43/455301543.db2.gz ICLTZISYCBOUAQ-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)[C@H](C)c1ccc(F)cc1 ZINC000245442537 455301547 /nfs/dbraw/zinc/30/15/47/455301547.db2.gz ICLTZISYCBOUAQ-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(CC)C(=O)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000173618030 455316675 /nfs/dbraw/zinc/31/66/75/455316675.db2.gz ALKOBYPDKZUQLP-LJQANCHMSA-N 2 2 331.504 3.059 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173616621 455316905 /nfs/dbraw/zinc/31/69/05/455316905.db2.gz OKZXSVVRQVJRET-CQSZACIVSA-N 2 2 337.895 3.438 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158979774 455342737 /nfs/dbraw/zinc/34/27/37/455342737.db2.gz AXVLXCZMDFBFLX-HOCLYGCPSA-N 2 2 340.895 3.092 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245630995 455344201 /nfs/dbraw/zinc/34/42/01/455344201.db2.gz DKIUJFBIUSFMBW-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245630995 455344206 /nfs/dbraw/zinc/34/42/06/455344206.db2.gz DKIUJFBIUSFMBW-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245702940 455360271 /nfs/dbraw/zinc/36/02/71/455360271.db2.gz RRNMHOLVOPVTBH-DVOMOZLQSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245702940 455360275 /nfs/dbraw/zinc/36/02/75/455360275.db2.gz RRNMHOLVOPVTBH-DVOMOZLQSA-N 2 2 348.397 3.071 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245724523 455365851 /nfs/dbraw/zinc/36/58/51/455365851.db2.gz QOKCGGIMPKSWJT-QXAKKESOSA-N 2 2 337.552 3.074 20 0 EGADLP CC(C)[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245724523 455365852 /nfs/dbraw/zinc/36/58/52/455365852.db2.gz QOKCGGIMPKSWJT-QXAKKESOSA-N 2 2 337.552 3.074 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000159326604 455369549 /nfs/dbraw/zinc/36/95/49/455369549.db2.gz DIEOLAKCRFXGPX-MRXNPFEDSA-N 2 2 345.512 3.355 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000159326604 455369552 /nfs/dbraw/zinc/36/95/52/455369552.db2.gz DIEOLAKCRFXGPX-MRXNPFEDSA-N 2 2 345.512 3.355 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)c1 ZINC000190959929 455414682 /nfs/dbraw/zinc/41/46/82/455414682.db2.gz JNGWJUVPFNEFQV-SFHVURJKSA-N 2 2 345.487 3.094 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000190996043 455421858 /nfs/dbraw/zinc/42/18/58/455421858.db2.gz VXYOHVLNRIPNJX-CYBMUJFWSA-N 2 2 330.394 3.072 20 0 EGADLP CS[C@@H]1CCCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000246280814 455463747 /nfs/dbraw/zinc/46/37/47/455463747.db2.gz AXDXGQMXTKRTIC-DLBZAZTESA-N 2 2 347.528 3.232 20 0 EGADLP CS[C@@H]1CCCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000246280814 455463751 /nfs/dbraw/zinc/46/37/51/455463751.db2.gz AXDXGQMXTKRTIC-DLBZAZTESA-N 2 2 347.528 3.232 20 0 EGADLP Fc1cccc(C2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000182219184 455464557 /nfs/dbraw/zinc/46/45/57/455464557.db2.gz WPUCBNUYKXHJBT-UHFFFAOYSA-N 2 2 325.431 3.464 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247027026 455547108 /nfs/dbraw/zinc/54/71/08/455547108.db2.gz YDIPTMCRSMYJIF-POAQFYNOSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247027026 455547113 /nfs/dbraw/zinc/54/71/13/455547113.db2.gz YDIPTMCRSMYJIF-POAQFYNOSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247027026 455547116 /nfs/dbraw/zinc/54/71/16/455547116.db2.gz YDIPTMCRSMYJIF-POAQFYNOSA-N 2 2 347.547 3.020 20 0 EGADLP C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000192105515 455557542 /nfs/dbraw/zinc/55/75/42/455557542.db2.gz VOLNZVBJEMWVLN-IBGZPJMESA-N 2 2 342.483 3.069 20 0 EGADLP C[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000192105515 455557545 /nfs/dbraw/zinc/55/75/45/455557545.db2.gz VOLNZVBJEMWVLN-IBGZPJMESA-N 2 2 342.483 3.069 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000247152460 455567202 /nfs/dbraw/zinc/56/72/02/455567202.db2.gz XEBNBEXUZUBDFJ-GRDNDAEWSA-N 2 2 330.451 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000247152460 455567205 /nfs/dbraw/zinc/56/72/05/455567205.db2.gz XEBNBEXUZUBDFJ-GRDNDAEWSA-N 2 2 330.451 3.453 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247301626 455585310 /nfs/dbraw/zinc/58/53/10/455585310.db2.gz FKXLUVMPFKAILF-AOIWGVFYSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000247301626 455585313 /nfs/dbraw/zinc/58/53/13/455585313.db2.gz FKXLUVMPFKAILF-AOIWGVFYSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1-n1cncn1 ZINC000185681657 455595719 /nfs/dbraw/zinc/59/57/19/455595719.db2.gz JWELRDXPUPWWNS-UTKZUKDTSA-N 2 2 349.482 3.357 20 0 EGADLP CC(C)CO[C@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929429 455613699 /nfs/dbraw/zinc/61/36/99/455613699.db2.gz CQEGKVCMXQFFEU-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929429 455613704 /nfs/dbraw/zinc/61/37/04/455613704.db2.gz CQEGKVCMXQFFEU-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929429 455613708 /nfs/dbraw/zinc/61/37/08/455613708.db2.gz CQEGKVCMXQFFEU-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929429 455613712 /nfs/dbraw/zinc/61/37/12/455613712.db2.gz CQEGKVCMXQFFEU-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000192448153 455619370 /nfs/dbraw/zinc/61/93/70/455619370.db2.gz OKBZZUSGXUEZBA-SOAGJPPSSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000192448153 455619376 /nfs/dbraw/zinc/61/93/76/455619376.db2.gz OKBZZUSGXUEZBA-SOAGJPPSSA-N 2 2 344.499 3.218 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529035 455619486 /nfs/dbraw/zinc/61/94/86/455619486.db2.gz OCAZMIYSZDBLLF-HUUCEWRRSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529035 455619492 /nfs/dbraw/zinc/61/94/92/455619492.db2.gz OCAZMIYSZDBLLF-HUUCEWRRSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247529035 455619498 /nfs/dbraw/zinc/61/94/98/455619498.db2.gz OCAZMIYSZDBLLF-HUUCEWRRSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247529035 455619504 /nfs/dbraw/zinc/61/95/04/455619504.db2.gz OCAZMIYSZDBLLF-HUUCEWRRSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000247977946 455664644 /nfs/dbraw/zinc/66/46/44/455664644.db2.gz LRQLKFODXOQEKL-GHTZIAJQSA-N 2 2 339.483 3.351 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000247977946 455664648 /nfs/dbraw/zinc/66/46/48/455664648.db2.gz LRQLKFODXOQEKL-GHTZIAJQSA-N 2 2 339.483 3.351 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000284351868 455672507 /nfs/dbraw/zinc/67/25/07/455672507.db2.gz MHOLDQYVDCCYAZ-UHFFFAOYSA-N 2 2 338.499 3.312 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000284351868 455672510 /nfs/dbraw/zinc/67/25/10/455672510.db2.gz MHOLDQYVDCCYAZ-UHFFFAOYSA-N 2 2 338.499 3.312 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)oc1C ZINC000292481454 455674787 /nfs/dbraw/zinc/67/47/87/455674787.db2.gz ANNOKCRRUMNNFF-CQSZACIVSA-N 2 2 334.460 3.386 20 0 EGADLP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271568993 455687180 /nfs/dbraw/zinc/68/71/80/455687180.db2.gz VICQYSUOXBCVNP-KXBFYZLASA-N 2 2 339.414 3.266 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192780700 455691524 /nfs/dbraw/zinc/69/15/24/455691524.db2.gz PLJKPLQEJWSOKU-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192780700 455691529 /nfs/dbraw/zinc/69/15/29/455691529.db2.gz PLJKPLQEJWSOKU-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181409 455695930 /nfs/dbraw/zinc/69/59/30/455695930.db2.gz WMQKQQZZZGNVCZ-PVAVHDDUSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248181409 455695933 /nfs/dbraw/zinc/69/59/33/455695933.db2.gz WMQKQQZZZGNVCZ-PVAVHDDUSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248181409 455695936 /nfs/dbraw/zinc/69/59/36/455695936.db2.gz WMQKQQZZZGNVCZ-PVAVHDDUSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248181409 455695937 /nfs/dbraw/zinc/69/59/37/455695937.db2.gz WMQKQQZZZGNVCZ-PVAVHDDUSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000284511603 455698039 /nfs/dbraw/zinc/69/80/39/455698039.db2.gz BLYAMASDIXVFBB-QWQRMKEZSA-N 2 2 347.894 3.202 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000284511603 455698043 /nfs/dbraw/zinc/69/80/43/455698043.db2.gz BLYAMASDIXVFBB-QWQRMKEZSA-N 2 2 347.894 3.202 20 0 EGADLP CSC[C@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562332 455698115 /nfs/dbraw/zinc/69/81/15/455698115.db2.gz ZKPQUKXKQIFVHB-DLBZAZTESA-N 2 2 347.528 3.089 20 0 EGADLP CSC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562332 455698118 /nfs/dbraw/zinc/69/81/18/455698118.db2.gz ZKPQUKXKQIFVHB-DLBZAZTESA-N 2 2 347.528 3.089 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268911001 455726986 /nfs/dbraw/zinc/72/69/86/455726986.db2.gz MUZSRPRATWWUPH-RHSMWYFYSA-N 2 2 344.528 3.015 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268911001 455726989 /nfs/dbraw/zinc/72/69/89/455726989.db2.gz MUZSRPRATWWUPH-RHSMWYFYSA-N 2 2 344.528 3.015 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924653 455732153 /nfs/dbraw/zinc/73/21/53/455732153.db2.gz PQXPUBAKRYTVKJ-TZIWHRDSSA-N 2 2 341.499 3.135 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924653 455732161 /nfs/dbraw/zinc/73/21/61/455732161.db2.gz PQXPUBAKRYTVKJ-TZIWHRDSSA-N 2 2 341.499 3.135 20 0 EGADLP CC[C@H](C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000271793397 455761704 /nfs/dbraw/zinc/76/17/04/455761704.db2.gz JPZDMMDJOHVQGL-QGZVFWFLSA-N 2 2 332.488 3.187 20 0 EGADLP CCn1cc(CC[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000285077193 455785380 /nfs/dbraw/zinc/78/53/80/455785380.db2.gz PNAMDLXOTSBHSD-GOSISDBHSA-N 2 2 337.471 3.268 20 0 EGADLP CCn1cc(CC[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000285077193 455785388 /nfs/dbraw/zinc/78/53/88/455785388.db2.gz PNAMDLXOTSBHSD-GOSISDBHSA-N 2 2 337.471 3.268 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000251920400 455799578 /nfs/dbraw/zinc/79/95/78/455799578.db2.gz SIWASSIVXOSLAV-UHOSZYNNSA-N 2 2 334.891 3.462 20 0 EGADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1OC(F)F ZINC000272034870 455827769 /nfs/dbraw/zinc/82/77/69/455827769.db2.gz XIGUITYMCQAYNG-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1OC(F)F ZINC000272034870 455827776 /nfs/dbraw/zinc/82/77/76/455827776.db2.gz XIGUITYMCQAYNG-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)co2)cc1 ZINC000285398138 455837136 /nfs/dbraw/zinc/83/71/36/455837136.db2.gz FAHZAIPZMXJFBV-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)co2)cc1 ZINC000285398138 455837139 /nfs/dbraw/zinc/83/71/39/455837139.db2.gz FAHZAIPZMXJFBV-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP COc1ccc(-c2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)co2)cc1 ZINC000285398138 455837142 /nfs/dbraw/zinc/83/71/42/455837142.db2.gz FAHZAIPZMXJFBV-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP COc1ccc(-c2nc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)co2)cc1 ZINC000285398138 455837146 /nfs/dbraw/zinc/83/71/46/455837146.db2.gz FAHZAIPZMXJFBV-JWTNVVGKSA-N 2 2 341.455 3.407 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000285408566 455838571 /nfs/dbraw/zinc/83/85/71/455838571.db2.gz FSHWWTLCETZYOV-BLMTVLTRSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000285408566 455838575 /nfs/dbraw/zinc/83/85/75/455838575.db2.gz FSHWWTLCETZYOV-BLMTVLTRSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000285408566 455838580 /nfs/dbraw/zinc/83/85/80/455838580.db2.gz FSHWWTLCETZYOV-BLMTVLTRSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000285408566 455838586 /nfs/dbraw/zinc/83/85/86/455838586.db2.gz FSHWWTLCETZYOV-BLMTVLTRSA-N 2 2 343.515 3.038 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC(C)(C)OC3(C)C)[nH+]c2)CC1 ZINC000272188522 455871255 /nfs/dbraw/zinc/87/12/55/455871255.db2.gz GXELBYISFXVEFV-KRWDZBQOSA-N 2 2 346.519 3.370 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cncs1 ZINC000272198612 455873723 /nfs/dbraw/zinc/87/37/23/455873723.db2.gz IQRJPKFYROFDSS-ZDUSSCGKSA-N 2 2 331.489 3.242 20 0 EGADLP C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000272260988 455895744 /nfs/dbraw/zinc/89/57/44/455895744.db2.gz AOWWKDAPQHQCPM-HNAYVOBHSA-N 2 2 337.423 3.040 20 0 EGADLP C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000272260988 455895748 /nfs/dbraw/zinc/89/57/48/455895748.db2.gz AOWWKDAPQHQCPM-HNAYVOBHSA-N 2 2 337.423 3.040 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccn1 ZINC000272276031 455899152 /nfs/dbraw/zinc/89/91/52/455899152.db2.gz NXQFKNGOYQLNIB-OAHLLOKOSA-N 2 2 325.460 3.180 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724021 455904114 /nfs/dbraw/zinc/90/41/14/455904114.db2.gz QINAAAFRTAZDIN-IEBWSBKVSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724021 455904118 /nfs/dbraw/zinc/90/41/18/455904118.db2.gz QINAAAFRTAZDIN-IEBWSBKVSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000187391025 455904214 /nfs/dbraw/zinc/90/42/14/455904214.db2.gz XBSOCUFGTYRILH-UTKZUKDTSA-N 2 2 348.494 3.226 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000187391025 455904217 /nfs/dbraw/zinc/90/42/17/455904217.db2.gz XBSOCUFGTYRILH-UTKZUKDTSA-N 2 2 348.494 3.226 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261594545 455910082 /nfs/dbraw/zinc/91/00/82/455910082.db2.gz ZVQPTUCHJMAVAZ-XLIONFOSSA-N 2 2 340.467 3.122 20 0 EGADLP C[NH+](C)CC1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000635181951 460700592 /nfs/dbraw/zinc/70/05/92/460700592.db2.gz LWYTXOXQZBOIAI-UHFFFAOYSA-N 2 2 326.444 3.043 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)c1 ZINC000261701835 455930723 /nfs/dbraw/zinc/93/07/23/455930723.db2.gz OTOFFZBCPOZQKD-UFYCRDLUSA-N 2 2 325.456 3.032 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261777981 455945722 /nfs/dbraw/zinc/94/57/22/455945722.db2.gz SYILWNYFYJTMSF-VQTJNVASSA-N 2 2 332.451 3.312 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261777981 455945724 /nfs/dbraw/zinc/94/57/24/455945724.db2.gz SYILWNYFYJTMSF-VQTJNVASSA-N 2 2 332.451 3.312 20 0 EGADLP C[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000187771600 455951438 /nfs/dbraw/zinc/95/14/38/455951438.db2.gz WQMQNALBVQQXRT-VKJFTORMSA-N 2 2 330.451 3.348 20 0 EGADLP C[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000187771600 455951443 /nfs/dbraw/zinc/95/14/43/455951443.db2.gz WQMQNALBVQQXRT-VKJFTORMSA-N 2 2 330.451 3.348 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477022 455963744 /nfs/dbraw/zinc/96/37/44/455963744.db2.gz SJZPFFAKJMXCPB-AEFFLSMTSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477022 455963749 /nfs/dbraw/zinc/96/37/49/455963749.db2.gz SJZPFFAKJMXCPB-AEFFLSMTSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1ccnc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000286073724 455972221 /nfs/dbraw/zinc/97/22/21/455972221.db2.gz LFVYTNZTYILQFY-DOTOQJQBSA-N 2 2 325.460 3.098 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@@H]1[NH3+] ZINC000262130385 456002169 /nfs/dbraw/zinc/00/21/69/456002169.db2.gz YBZABLQAQMKOSP-UGSOOPFHSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@@H]1[NH3+] ZINC000262130385 456002176 /nfs/dbraw/zinc/00/21/76/456002176.db2.gz YBZABLQAQMKOSP-UGSOOPFHSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@@H+]1C1CC1 ZINC000623756255 460707148 /nfs/dbraw/zinc/70/71/48/460707148.db2.gz UGHHCHPOWPZENX-VHDGCEQUSA-N 2 2 337.870 3.273 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)C[N@H+]1C1CC1 ZINC000623756255 460707153 /nfs/dbraw/zinc/70/71/53/460707153.db2.gz UGHHCHPOWPZENX-VHDGCEQUSA-N 2 2 337.870 3.273 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634303 456020807 /nfs/dbraw/zinc/02/08/07/456020807.db2.gz NNGSQUGHKPWCJC-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634303 456020813 /nfs/dbraw/zinc/02/08/13/456020813.db2.gz NNGSQUGHKPWCJC-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634303 456020815 /nfs/dbraw/zinc/02/08/15/456020815.db2.gz NNGSQUGHKPWCJC-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634303 456020818 /nfs/dbraw/zinc/02/08/18/456020818.db2.gz NNGSQUGHKPWCJC-FPOVZHCZSA-N 2 2 337.467 3.187 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000296731125 456022159 /nfs/dbraw/zinc/02/21/59/456022159.db2.gz CFDAXWNLBJRJQM-OAHLLOKOSA-N 2 2 343.456 3.129 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000296731120 456022496 /nfs/dbraw/zinc/02/24/96/456022496.db2.gz CFDAXWNLBJRJQM-HNNXBMFYSA-N 2 2 343.456 3.129 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670375 456033368 /nfs/dbraw/zinc/03/33/68/456033368.db2.gz SVQFTKIPRNROQR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670375 456033374 /nfs/dbraw/zinc/03/33/74/456033374.db2.gz SVQFTKIPRNROQR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670375 456033377 /nfs/dbraw/zinc/03/33/77/456033377.db2.gz SVQFTKIPRNROQR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)[C@H]2C1 ZINC000272670375 456033380 /nfs/dbraw/zinc/03/33/80/456033380.db2.gz SVQFTKIPRNROQR-DYVFJYSZSA-N 2 2 330.863 3.256 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675307 456034697 /nfs/dbraw/zinc/03/46/97/456034697.db2.gz UNYXICXIVFXBJZ-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675307 456034701 /nfs/dbraw/zinc/03/47/01/456034701.db2.gz UNYXICXIVFXBJZ-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675307 456034705 /nfs/dbraw/zinc/03/47/05/456034705.db2.gz UNYXICXIVFXBJZ-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)[C@H]2C1 ZINC000272675307 456034709 /nfs/dbraw/zinc/03/47/09/456034709.db2.gz UNYXICXIVFXBJZ-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000262709207 456055087 /nfs/dbraw/zinc/05/50/87/456055087.db2.gz ONDQZVAMMJGIND-KDOFPFPSSA-N 2 2 337.895 3.063 20 0 EGADLP COC(=O)c1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1Cl ZINC000296976718 456081640 /nfs/dbraw/zinc/08/16/40/456081640.db2.gz DKRAUZHLCCWFKP-UHFFFAOYSA-N 2 2 338.879 3.431 20 0 EGADLP COC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1Cl ZINC000296976718 456081643 /nfs/dbraw/zinc/08/16/43/456081643.db2.gz DKRAUZHLCCWFKP-UHFFFAOYSA-N 2 2 338.879 3.431 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163794 456137363 /nfs/dbraw/zinc/13/73/63/456137363.db2.gz DAAYWDGCGBQVKZ-LAUBAEHRSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163794 456137365 /nfs/dbraw/zinc/13/73/65/456137365.db2.gz DAAYWDGCGBQVKZ-LAUBAEHRSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163790 456137540 /nfs/dbraw/zinc/13/75/40/456137540.db2.gz DAAYWDGCGBQVKZ-DYESRHJHSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163790 456137549 /nfs/dbraw/zinc/13/75/49/456137549.db2.gz DAAYWDGCGBQVKZ-DYESRHJHSA-N 2 2 339.483 3.246 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000271189903 456163739 /nfs/dbraw/zinc/16/37/39/456163739.db2.gz PHFATSWDJUYFNV-OAHLLOKOSA-N 2 2 325.412 3.095 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000271189903 456163744 /nfs/dbraw/zinc/16/37/44/456163744.db2.gz PHFATSWDJUYFNV-OAHLLOKOSA-N 2 2 325.412 3.095 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000289878151 456165628 /nfs/dbraw/zinc/16/56/28/456165628.db2.gz WPEHQUABRBMVOB-NVXWUHKLSA-N 2 2 333.476 3.168 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cscn1 ZINC000271197950 456167795 /nfs/dbraw/zinc/16/77/95/456167795.db2.gz YUFAFRHPDAHHGY-HUUCEWRRSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cscn1 ZINC000271197950 456167801 /nfs/dbraw/zinc/16/78/01/456167801.db2.gz YUFAFRHPDAHHGY-HUUCEWRRSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cscn1 ZINC000271197946 456167926 /nfs/dbraw/zinc/16/79/26/456167926.db2.gz YUFAFRHPDAHHGY-GJZGRUSLSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cscn1 ZINC000271197946 456167930 /nfs/dbraw/zinc/16/79/30/456167930.db2.gz YUFAFRHPDAHHGY-GJZGRUSLSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280120 456170611 /nfs/dbraw/zinc/17/06/11/456170611.db2.gz LHEUBMSPXSENEC-CPUCHLNUSA-N 3 2 332.879 3.344 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297280120 456170617 /nfs/dbraw/zinc/17/06/17/456170617.db2.gz LHEUBMSPXSENEC-CPUCHLNUSA-N 3 2 332.879 3.344 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCCSC3)c[nH+]c12 ZINC000273102173 456179170 /nfs/dbraw/zinc/17/91/70/456179170.db2.gz OWNRITBMYQFDFR-GFCCVEGCSA-N 2 2 340.290 3.390 20 0 EGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000236755543 456180008 /nfs/dbraw/zinc/18/00/08/456180008.db2.gz ICSSDANMQLQMLN-INIZCTEOSA-N 2 2 326.444 3.198 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000289931249 456186396 /nfs/dbraw/zinc/18/63/96/456186396.db2.gz VLRLTAHKQCQLTI-MJGOQNOKSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000289931249 456186406 /nfs/dbraw/zinc/18/64/06/456186406.db2.gz VLRLTAHKQCQLTI-MJGOQNOKSA-N 2 2 338.499 3.290 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)n1-c1ccccc1 ZINC000188971645 456187089 /nfs/dbraw/zinc/18/70/89/456187089.db2.gz TXORKIPNOAYMAO-IBGZPJMESA-N 2 2 335.451 3.182 20 0 EGADLP c1ccc(COc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccn2)cc1 ZINC000297334782 456189971 /nfs/dbraw/zinc/18/99/71/456189971.db2.gz DBZPPJJZBUXFLH-UHFFFAOYSA-N 2 2 337.467 3.377 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000273154093 456193888 /nfs/dbraw/zinc/19/38/88/456193888.db2.gz ADFODFOTXMCDFQ-MRXNPFEDSA-N 2 2 346.519 3.245 20 0 EGADLP CCOc1cc(C[NH2+]CCCNc2cccc[nH+]2)cc(Cl)c1O ZINC000297352352 456195531 /nfs/dbraw/zinc/19/55/31/456195531.db2.gz FHHGPPCJHIKHRH-UHFFFAOYSA-N 2 2 335.835 3.431 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189094071 456224763 /nfs/dbraw/zinc/22/47/63/456224763.db2.gz ZGIPFLAWHNBERH-HXUWFJFHSA-N 2 2 344.499 3.210 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000290058107 456229440 /nfs/dbraw/zinc/22/94/40/456229440.db2.gz PDZQGKANIZJXSI-HXUWFJFHSA-N 2 2 332.488 3.373 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000301879678 456240544 /nfs/dbraw/zinc/24/05/44/456240544.db2.gz JSIIANIEFGGBMF-UHFFFAOYSA-N 2 2 330.480 3.302 20 0 EGADLP C[N@H+](CCO)Cc1cc(NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000290105992 456241336 /nfs/dbraw/zinc/24/13/36/456241336.db2.gz KPHLALHFSYPXMV-UHFFFAOYSA-N 2 2 344.846 3.024 20 0 EGADLP C[N@@H+](CCO)Cc1cc(NCc2cn3ccccc3[nH+]2)ccc1Cl ZINC000290105992 456241343 /nfs/dbraw/zinc/24/13/43/456241343.db2.gz KPHLALHFSYPXMV-UHFFFAOYSA-N 2 2 344.846 3.024 20 0 EGADLP COCCOc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000297748258 456286322 /nfs/dbraw/zinc/28/63/22/456286322.db2.gz KWLYMDSYPYJHKD-UHFFFAOYSA-N 2 2 327.428 3.188 20 0 EGADLP Cc1[nH+]ccn1CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000297767616 456290061 /nfs/dbraw/zinc/29/00/61/456290061.db2.gz KXVWSCTXGFLZOC-UHFFFAOYSA-N 2 2 337.427 3.198 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000281714026 456299909 /nfs/dbraw/zinc/29/99/09/456299909.db2.gz OTFLXXDTXCDAOI-ZDUSSCGKSA-N 2 2 338.908 3.137 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000281714026 456299914 /nfs/dbraw/zinc/29/99/14/456299914.db2.gz OTFLXXDTXCDAOI-ZDUSSCGKSA-N 2 2 338.908 3.137 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739575 456300990 /nfs/dbraw/zinc/30/09/90/456300990.db2.gz POIVGKQGNARMSL-LJQANCHMSA-N 2 2 343.446 3.413 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739575 456301001 /nfs/dbraw/zinc/30/10/01/456301001.db2.gz POIVGKQGNARMSL-LJQANCHMSA-N 2 2 343.446 3.413 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739575 456301010 /nfs/dbraw/zinc/30/10/10/456301010.db2.gz POIVGKQGNARMSL-LJQANCHMSA-N 2 2 343.446 3.413 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739575 456301019 /nfs/dbraw/zinc/30/10/19/456301019.db2.gz POIVGKQGNARMSL-LJQANCHMSA-N 2 2 343.446 3.413 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCOc2ccc(Cl)cc2)s1 ZINC000347682535 456303268 /nfs/dbraw/zinc/30/32/68/456303268.db2.gz YJHXCLPJHQNFSP-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCOc2ccc(Cl)cc2)s1 ZINC000347682535 456303271 /nfs/dbraw/zinc/30/32/71/456303271.db2.gz YJHXCLPJHQNFSP-UHFFFAOYSA-N 2 2 339.892 3.369 20 0 EGADLP COc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336790979 456308868 /nfs/dbraw/zinc/30/88/68/456308868.db2.gz MLPKVWVTTJSPTA-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336790979 456308873 /nfs/dbraw/zinc/30/88/73/456308873.db2.gz MLPKVWVTTJSPTA-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336790979 456308876 /nfs/dbraw/zinc/30/88/76/456308876.db2.gz MLPKVWVTTJSPTA-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336790979 456308881 /nfs/dbraw/zinc/30/88/81/456308881.db2.gz MLPKVWVTTJSPTA-AZUAARDMSA-N 2 2 337.467 3.044 20 0 EGADLP CSCc1cnc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000352826757 456341372 /nfs/dbraw/zinc/34/13/72/456341372.db2.gz SUTPOQCIVPNKPC-ZDUSSCGKSA-N 2 2 336.530 3.194 20 0 EGADLP CSCc1cnc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)s1 ZINC000352826757 456341377 /nfs/dbraw/zinc/34/13/77/456341377.db2.gz SUTPOQCIVPNKPC-ZDUSSCGKSA-N 2 2 336.530 3.194 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340260602 456346972 /nfs/dbraw/zinc/34/69/72/456346972.db2.gz TUNGTNJUWHIBOF-MOPGFXCFSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340260602 456346982 /nfs/dbraw/zinc/34/69/82/456346982.db2.gz TUNGTNJUWHIBOF-MOPGFXCFSA-N 2 2 326.488 3.464 20 0 EGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352836357 456350904 /nfs/dbraw/zinc/35/09/04/456350904.db2.gz KLNBYKBAPLEKEH-HUUCEWRRSA-N 2 2 348.434 3.234 20 0 EGADLP Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1F ZINC000337535569 456362243 /nfs/dbraw/zinc/36/22/43/456362243.db2.gz XTYNXLMQZKBDHR-UHFFFAOYSA-N 2 2 338.321 3.101 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310690 456377673 /nfs/dbraw/zinc/37/76/73/456377673.db2.gz RPJWADBXYPEXGH-DYESRHJHSA-N 2 2 340.515 3.470 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340310690 456377680 /nfs/dbraw/zinc/37/76/80/456377680.db2.gz RPJWADBXYPEXGH-DYESRHJHSA-N 2 2 340.515 3.470 20 0 EGADLP C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290676759 456402520 /nfs/dbraw/zinc/40/25/20/456402520.db2.gz LRHWSDIWTYBSSM-HUUCEWRRSA-N 2 2 341.459 3.109 20 0 EGADLP C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000290676759 456402527 /nfs/dbraw/zinc/40/25/27/456402527.db2.gz LRHWSDIWTYBSSM-HUUCEWRRSA-N 2 2 341.459 3.109 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000347847875 456403243 /nfs/dbraw/zinc/40/32/43/456403243.db2.gz LEBJPVFZFRRDLA-KRWDZBQOSA-N 2 2 345.512 3.386 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000347847875 456403245 /nfs/dbraw/zinc/40/32/45/456403245.db2.gz LEBJPVFZFRRDLA-KRWDZBQOSA-N 2 2 345.512 3.386 20 0 EGADLP CC(C)[NH+](CCN[C@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1)C(C)C ZINC000343134969 456425572 /nfs/dbraw/zinc/42/55/72/456425572.db2.gz VIWSLBKKOUEISJ-CTNGQTDRSA-N 2 2 347.547 3.157 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000303058390 456443749 /nfs/dbraw/zinc/44/37/49/456443749.db2.gz XKKJASGGKDTFGY-FQEVSTJZSA-N 2 2 349.563 3.127 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000303058390 456443756 /nfs/dbraw/zinc/44/37/56/456443756.db2.gz XKKJASGGKDTFGY-FQEVSTJZSA-N 2 2 349.563 3.127 20 0 EGADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000340464803 456476552 /nfs/dbraw/zinc/47/65/52/456476552.db2.gz KUNKJRWCUIWONJ-HXUWFJFHSA-N 2 2 326.488 3.199 20 0 EGADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000340464803 456476555 /nfs/dbraw/zinc/47/65/55/456476555.db2.gz KUNKJRWCUIWONJ-HXUWFJFHSA-N 2 2 326.488 3.199 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474008 456480677 /nfs/dbraw/zinc/48/06/77/456480677.db2.gz GBKNXHPAHUONBL-WMZOPIPTSA-N 2 2 327.447 3.436 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncc1F ZINC000340474008 456480682 /nfs/dbraw/zinc/48/06/82/456480682.db2.gz GBKNXHPAHUONBL-WMZOPIPTSA-N 2 2 327.447 3.436 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000348101973 456482074 /nfs/dbraw/zinc/48/20/74/456482074.db2.gz KBDSKYITOSTXAF-CVEARBPZSA-N 2 2 339.361 3.131 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(F)cn1 ZINC000348115638 456493185 /nfs/dbraw/zinc/49/31/85/456493185.db2.gz ZFQHLTAWLRBRAR-CQSZACIVSA-N 2 2 340.402 3.325 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504066 456496006 /nfs/dbraw/zinc/49/60/06/456496006.db2.gz GCCGFIAAURUASY-ZWDAVXSWSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504066 456496012 /nfs/dbraw/zinc/49/60/12/456496012.db2.gz GCCGFIAAURUASY-ZWDAVXSWSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340503257 456497120 /nfs/dbraw/zinc/49/71/20/456497120.db2.gz DIBALHOZTTUERB-JXFKEZNVSA-N 2 2 344.524 3.078 20 0 EGADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340503257 456497122 /nfs/dbraw/zinc/49/71/22/456497122.db2.gz DIBALHOZTTUERB-JXFKEZNVSA-N 2 2 344.524 3.078 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1OC ZINC000348137515 456509245 /nfs/dbraw/zinc/50/92/45/456509245.db2.gz ZXFLYRGRRZOZFI-INIZCTEOSA-N 2 2 343.471 3.200 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1OC ZINC000348137515 456509250 /nfs/dbraw/zinc/50/92/50/456509250.db2.gz ZXFLYRGRRZOZFI-INIZCTEOSA-N 2 2 343.471 3.200 20 0 EGADLP CCn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000348172960 456515559 /nfs/dbraw/zinc/51/55/59/456515559.db2.gz HTJWEQBZQQTLPX-QZTJIDSGSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000282442840 456516144 /nfs/dbraw/zinc/51/61/44/456516144.db2.gz IELHYHBFWGZXMB-GRDNDAEWSA-N 2 2 330.501 3.408 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000340541059 456521582 /nfs/dbraw/zinc/52/15/82/456521582.db2.gz IJRGUBHHVFOXPX-BBWFWOEESA-N 2 2 343.471 3.443 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1 ZINC000340541059 456521586 /nfs/dbraw/zinc/52/15/86/456521586.db2.gz IJRGUBHHVFOXPX-BBWFWOEESA-N 2 2 343.471 3.443 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2cnn(C)c2)s1 ZINC000282702560 456597745 /nfs/dbraw/zinc/59/77/45/456597745.db2.gz ACMQIPPDZWCBEB-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(-c2cnn(C)c2)s1 ZINC000282702560 456597749 /nfs/dbraw/zinc/59/77/49/456597749.db2.gz ACMQIPPDZWCBEB-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cnn(C)c2)s1 ZINC000282702560 456597758 /nfs/dbraw/zinc/59/77/58/456597758.db2.gz ACMQIPPDZWCBEB-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2cnn(C)c2)s1 ZINC000282702560 456597767 /nfs/dbraw/zinc/59/77/67/456597767.db2.gz ACMQIPPDZWCBEB-CVEARBPZSA-N 2 2 330.501 3.207 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)c1 ZINC000353268897 456599729 /nfs/dbraw/zinc/59/97/29/456599729.db2.gz STECDMUKOVQPOQ-UHFFFAOYSA-N 2 2 335.810 3.205 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c(F)c1 ZINC000276867346 456603364 /nfs/dbraw/zinc/60/33/64/456603364.db2.gz LDEYAGQVNPZCBO-CYBMUJFWSA-N 2 2 343.381 3.253 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c(F)c1 ZINC000276867346 456603369 /nfs/dbraw/zinc/60/33/69/456603369.db2.gz LDEYAGQVNPZCBO-CYBMUJFWSA-N 2 2 343.381 3.253 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335496 456633238 /nfs/dbraw/zinc/63/32/38/456633238.db2.gz QTOLJNRDJICYBK-MDKPJZGXSA-N 2 2 345.531 3.291 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335496 456633246 /nfs/dbraw/zinc/63/32/46/456633246.db2.gz QTOLJNRDJICYBK-MDKPJZGXSA-N 2 2 345.531 3.291 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000353382078 456662326 /nfs/dbraw/zinc/66/23/26/456662326.db2.gz PETXEXGATOEXOK-INIZCTEOSA-N 2 2 346.496 3.419 20 0 EGADLP Cc1ccc(CCC[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000353382078 456662328 /nfs/dbraw/zinc/66/23/28/456662328.db2.gz PETXEXGATOEXOK-INIZCTEOSA-N 2 2 346.496 3.419 20 0 EGADLP COC(=O)[C@@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000348412568 456674214 /nfs/dbraw/zinc/67/42/14/456674214.db2.gz VFVQNTLRMVTLBW-FQEVSTJZSA-N 2 2 344.430 3.182 20 0 EGADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000343569453 456712885 /nfs/dbraw/zinc/71/28/85/456712885.db2.gz RPYNHNHMUUEYLG-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000343569453 456712888 /nfs/dbraw/zinc/71/28/88/456712888.db2.gz RPYNHNHMUUEYLG-PKOBYXMFSA-N 2 2 348.535 3.084 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1-n1ccnn1 ZINC000353523881 456735032 /nfs/dbraw/zinc/73/50/32/456735032.db2.gz UPSUKZKOOVBCCB-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP Cc1c(O)ccc2c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc12 ZINC000299614071 456743733 /nfs/dbraw/zinc/74/37/33/456743733.db2.gz SSIBXRJWCHFMGK-UHFFFAOYSA-N 2 2 344.455 3.112 20 0 EGADLP Cc1c(O)ccc2c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc12 ZINC000299614071 456743742 /nfs/dbraw/zinc/74/37/42/456743742.db2.gz SSIBXRJWCHFMGK-UHFFFAOYSA-N 2 2 344.455 3.112 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553606 456754741 /nfs/dbraw/zinc/75/47/41/456754741.db2.gz SNZIFYYAHYOHDU-RTBURBONSA-N 2 2 344.499 3.363 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553606 456754749 /nfs/dbraw/zinc/75/47/49/456754749.db2.gz SNZIFYYAHYOHDU-RTBURBONSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283509222 456793717 /nfs/dbraw/zinc/79/37/17/456793717.db2.gz ZIGXOQPKGJFECY-ITKAJJHTSA-N 2 2 342.483 3.383 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000283509222 456793728 /nfs/dbraw/zinc/79/37/28/456793728.db2.gz ZIGXOQPKGJFECY-ITKAJJHTSA-N 2 2 342.483 3.383 20 0 EGADLP CSC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC[NH+](C)CC1 ZINC000353610459 456802087 /nfs/dbraw/zinc/80/20/87/456802087.db2.gz MWDIHXBJADEBCS-INIZCTEOSA-N 3 2 344.528 3.350 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+](C)C ZINC000348665194 456806509 /nfs/dbraw/zinc/80/65/09/456806509.db2.gz IKQINUVRGPXNMY-SFHVURJKSA-N 2 2 340.471 3.411 20 0 EGADLP CCOC(=O)c1coc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000353645812 456826559 /nfs/dbraw/zinc/82/65/59/456826559.db2.gz CJLCKJRHWOMNIX-HNNXBMFYSA-N 2 2 331.416 3.052 20 0 EGADLP CCOC(=O)c1coc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000353645812 456826563 /nfs/dbraw/zinc/82/65/63/456826563.db2.gz CJLCKJRHWOMNIX-HNNXBMFYSA-N 2 2 331.416 3.052 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662792 456840034 /nfs/dbraw/zinc/84/00/34/456840034.db2.gz RTPJZMMZBUUWKR-CRAIPNDOSA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662792 456840036 /nfs/dbraw/zinc/84/00/36/456840036.db2.gz RTPJZMMZBUUWKR-CRAIPNDOSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662792 456840038 /nfs/dbraw/zinc/84/00/38/456840038.db2.gz RTPJZMMZBUUWKR-CRAIPNDOSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662792 456840042 /nfs/dbraw/zinc/84/00/42/456840042.db2.gz RTPJZMMZBUUWKR-CRAIPNDOSA-N 2 2 330.451 3.316 20 0 EGADLP CCc1ccc([C@@H](CNCc2[nH+]cc(C)n2C)[NH+](CC)CC)cc1 ZINC000353667845 456843432 /nfs/dbraw/zinc/84/34/32/456843432.db2.gz VWKAKDOARSFKCR-LJQANCHMSA-N 2 2 328.504 3.464 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)n1 ZINC000292070854 456847081 /nfs/dbraw/zinc/84/70/81/456847081.db2.gz DPCMBIAQYDNOHO-BEFAXECRSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)n1 ZINC000292070854 456847086 /nfs/dbraw/zinc/84/70/86/456847086.db2.gz DPCMBIAQYDNOHO-BEFAXECRSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000292070854 456847093 /nfs/dbraw/zinc/84/70/93/456847093.db2.gz DPCMBIAQYDNOHO-BEFAXECRSA-N 2 2 326.444 3.134 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000292070854 456847100 /nfs/dbraw/zinc/84/71/00/456847100.db2.gz DPCMBIAQYDNOHO-BEFAXECRSA-N 2 2 326.444 3.134 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000348826676 456873518 /nfs/dbraw/zinc/87/35/18/456873518.db2.gz IHFPOSJTYWVKOG-ZBFHGGJFSA-N 2 2 346.862 3.072 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749702 456889059 /nfs/dbraw/zinc/88/90/59/456889059.db2.gz GHLRHJISXHARGL-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749702 456889061 /nfs/dbraw/zinc/88/90/61/456889061.db2.gz GHLRHJISXHARGL-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749702 456889062 /nfs/dbraw/zinc/88/90/62/456889062.db2.gz GHLRHJISXHARGL-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC000353749702 456889064 /nfs/dbraw/zinc/88/90/64/456889064.db2.gz GHLRHJISXHARGL-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@H]1C ZINC000353753056 456891087 /nfs/dbraw/zinc/89/10/87/456891087.db2.gz UVEQNUPSNLQINI-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@H]1C ZINC000353753056 456891089 /nfs/dbraw/zinc/89/10/89/456891089.db2.gz UVEQNUPSNLQINI-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@H]1C ZINC000353753056 456891092 /nfs/dbraw/zinc/89/10/92/456891092.db2.gz UVEQNUPSNLQINI-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@H](C)C3)C[C@H]1C ZINC000353753056 456891096 /nfs/dbraw/zinc/89/10/96/456891096.db2.gz UVEQNUPSNLQINI-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353823748 456924013 /nfs/dbraw/zinc/92/40/13/456924013.db2.gz WKWNTAMTXJDWIV-DOTOQJQBSA-N 2 2 335.517 3.445 20 0 EGADLP c1nc([C@H]2CCCO2)sc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353823748 456924015 /nfs/dbraw/zinc/92/40/15/456924015.db2.gz WKWNTAMTXJDWIV-DOTOQJQBSA-N 2 2 335.517 3.445 20 0 EGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000339069465 456925854 /nfs/dbraw/zinc/92/58/54/456925854.db2.gz VXHYULDZWWPWMQ-NSHDSACASA-N 2 2 342.274 3.004 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCc1cccnc1 ZINC000349345889 456948368 /nfs/dbraw/zinc/94/83/68/456948368.db2.gz JNYAKTHXLNFGCT-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCc1cccnc1 ZINC000349345889 456948373 /nfs/dbraw/zinc/94/83/73/456948373.db2.gz JNYAKTHXLNFGCT-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000349373123 456956621 /nfs/dbraw/zinc/95/66/21/456956621.db2.gz WBFKNNYNSUUZIO-UHFFFAOYSA-N 2 2 328.504 3.322 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000349373123 456956627 /nfs/dbraw/zinc/95/66/27/456956627.db2.gz WBFKNNYNSUUZIO-UHFFFAOYSA-N 2 2 328.504 3.322 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1C ZINC000353929702 456970090 /nfs/dbraw/zinc/97/00/90/456970090.db2.gz FGJVBSKGLWQXEC-BTHPGYMESA-N 2 2 344.499 3.391 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947345 456975505 /nfs/dbraw/zinc/97/55/05/456975505.db2.gz MGBCTGKURBKMFO-OTYXRUKQSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947345 456975509 /nfs/dbraw/zinc/97/55/09/456975509.db2.gz MGBCTGKURBKMFO-OTYXRUKQSA-N 2 2 333.220 3.157 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000341891168 456989552 /nfs/dbraw/zinc/98/95/52/456989552.db2.gz HMRBTFZGERYSLN-LJQANCHMSA-N 3 2 338.499 3.253 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038910 457025080 /nfs/dbraw/zinc/02/50/80/457025080.db2.gz OILYJRLOABHVJT-IPMKNSEASA-N 2 2 337.552 3.124 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038910 457025086 /nfs/dbraw/zinc/02/50/86/457025086.db2.gz OILYJRLOABHVJT-IPMKNSEASA-N 2 2 337.552 3.124 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000354085791 457052629 /nfs/dbraw/zinc/05/26/29/457052629.db2.gz KTAZLLOYUPZHFK-SFHVURJKSA-N 2 2 348.535 3.065 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000354085791 457052633 /nfs/dbraw/zinc/05/26/33/457052633.db2.gz KTAZLLOYUPZHFK-SFHVURJKSA-N 2 2 348.535 3.065 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[S@](=O)c2ccccc2)C1 ZINC000356583243 457067603 /nfs/dbraw/zinc/06/76/03/457067603.db2.gz VHNCKALLSGVGIZ-IMWIBFENSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[S@](=O)c2ccccc2)C1 ZINC000356583243 457067607 /nfs/dbraw/zinc/06/76/07/457067607.db2.gz VHNCKALLSGVGIZ-IMWIBFENSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[S@](=O)c2ccccc2)C1 ZINC000356583243 457067615 /nfs/dbraw/zinc/06/76/15/457067615.db2.gz VHNCKALLSGVGIZ-IMWIBFENSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[S@](=O)c2ccccc2)C1 ZINC000356583243 457067620 /nfs/dbraw/zinc/06/76/20/457067620.db2.gz VHNCKALLSGVGIZ-IMWIBFENSA-N 2 2 348.556 3.381 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661887 457099725 /nfs/dbraw/zinc/09/97/25/457099725.db2.gz UKGHUYVULVJLJV-AGHHOFFYSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661887 457099727 /nfs/dbraw/zinc/09/97/27/457099727.db2.gz UKGHUYVULVJLJV-AGHHOFFYSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000346661887 457099730 /nfs/dbraw/zinc/09/97/30/457099730.db2.gz UKGHUYVULVJLJV-AGHHOFFYSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000346661887 457099733 /nfs/dbraw/zinc/09/97/33/457099733.db2.gz UKGHUYVULVJLJV-AGHHOFFYSA-N 2 2 341.543 3.284 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(Cc4ccccc4)n3)C[C@H]21 ZINC000342097508 457105890 /nfs/dbraw/zinc/10/58/90/457105890.db2.gz HYMVLONEASXTJR-CGTJXYLNSA-N 2 2 327.497 3.293 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(Cc4ccccc4)n3)C[C@H]21 ZINC000342097508 457105896 /nfs/dbraw/zinc/10/58/96/457105896.db2.gz HYMVLONEASXTJR-CGTJXYLNSA-N 2 2 327.497 3.293 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c[nH+]1 ZINC000354174824 457111109 /nfs/dbraw/zinc/11/11/09/457111109.db2.gz OUFAAZPFZMOURE-IBGZPJMESA-N 2 2 325.456 3.132 20 0 EGADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)CCC1 ZINC000342115306 457116836 /nfs/dbraw/zinc/11/68/36/457116836.db2.gz DKTYUAPWUUEVPB-UHFFFAOYSA-N 2 2 341.480 3.247 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@@H+]1C1CC1 ZINC000346697056 457117331 /nfs/dbraw/zinc/11/73/31/457117331.db2.gz ZUVAZYVGVQWRMQ-OLZOCXBDSA-N 2 2 334.414 3.189 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@H+]1C1CC1 ZINC000346697056 457117335 /nfs/dbraw/zinc/11/73/35/457117335.db2.gz ZUVAZYVGVQWRMQ-OLZOCXBDSA-N 2 2 334.414 3.189 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1C[C@@H](C)N(Cc3ccccc3)C1)CCC2 ZINC000346701882 457119899 /nfs/dbraw/zinc/11/98/99/457119899.db2.gz SZDHYRGYVFSZIX-HOJAQTOUSA-N 2 2 338.499 3.322 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000359920198 457148377 /nfs/dbraw/zinc/14/83/77/457148377.db2.gz YGWRMHIKHIHRJL-IAGOWNOFSA-N 2 2 349.523 3.260 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000359920198 457148379 /nfs/dbraw/zinc/14/83/79/457148379.db2.gz YGWRMHIKHIHRJL-IAGOWNOFSA-N 2 2 349.523 3.260 20 0 EGADLP CC1CC[NH+](CCCCNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000346755096 457152294 /nfs/dbraw/zinc/15/22/94/457152294.db2.gz YSVWYCLHHGYYQI-UHFFFAOYSA-N 2 2 331.508 3.391 20 0 EGADLP CC1CC[NH+](CCCCNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000346755096 457152303 /nfs/dbraw/zinc/15/23/03/457152303.db2.gz YSVWYCLHHGYYQI-UHFFFAOYSA-N 2 2 331.508 3.391 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356871756 457189773 /nfs/dbraw/zinc/18/97/73/457189773.db2.gz OYEFEZDJLCWKBG-OAHLLOKOSA-N 3 2 335.458 3.113 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356871756 457189781 /nfs/dbraw/zinc/18/97/81/457189781.db2.gz OYEFEZDJLCWKBG-OAHLLOKOSA-N 3 2 335.458 3.113 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347057498 457208409 /nfs/dbraw/zinc/20/84/09/457208409.db2.gz WBLIWUCUPHJOGB-WFASDCNBSA-N 2 2 341.293 3.407 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347057498 457208411 /nfs/dbraw/zinc/20/84/11/457208411.db2.gz WBLIWUCUPHJOGB-WFASDCNBSA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000331790535 457251552 /nfs/dbraw/zinc/25/15/52/457251552.db2.gz KCBOGQKNHZVNNL-CABCVRRESA-N 2 2 340.427 3.430 20 0 EGADLP C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000331790535 457251558 /nfs/dbraw/zinc/25/15/58/457251558.db2.gz KCBOGQKNHZVNNL-CABCVRRESA-N 2 2 340.427 3.430 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390039 457275431 /nfs/dbraw/zinc/27/54/31/457275431.db2.gz UROVFIBBCVKHOG-KDOFPFPSSA-N 2 2 348.537 3.212 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390039 457275434 /nfs/dbraw/zinc/27/54/34/457275434.db2.gz UROVFIBBCVKHOG-KDOFPFPSSA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390039 457275437 /nfs/dbraw/zinc/27/54/37/457275437.db2.gz UROVFIBBCVKHOG-KDOFPFPSSA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390039 457275439 /nfs/dbraw/zinc/27/54/39/457275439.db2.gz UROVFIBBCVKHOG-KDOFPFPSSA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)s1 ZINC000342411570 457288273 /nfs/dbraw/zinc/28/82/73/457288273.db2.gz CKILOZWSKCTMKM-DOTOQJQBSA-N 2 2 331.485 3.215 20 0 EGADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000342454557 457312212 /nfs/dbraw/zinc/31/22/12/457312212.db2.gz WQRODGGFLATGPC-UHFFFAOYSA-N 2 2 346.500 3.036 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2noc(C3CC3)n2)CC1)CC1CC1 ZINC000357082712 457313332 /nfs/dbraw/zinc/31/33/32/457313332.db2.gz JFRFFPCJPIHFTH-UHFFFAOYSA-N 2 2 332.492 3.281 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2noc(C3CC3)n2)CC1)CC1CC1 ZINC000357082712 457313334 /nfs/dbraw/zinc/31/33/34/457313334.db2.gz JFRFFPCJPIHFTH-UHFFFAOYSA-N 2 2 332.492 3.281 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320024 457351235 /nfs/dbraw/zinc/35/12/35/457351235.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320024 457351238 /nfs/dbraw/zinc/35/12/38/457351238.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320024 457351240 /nfs/dbraw/zinc/35/12/40/457351240.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320024 457351243 /nfs/dbraw/zinc/35/12/43/457351243.db2.gz PKPFAOUVXANCLD-KXEVLKFVSA-N 3 2 327.516 3.112 20 0 EGADLP CC(C)c1nc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000360824562 457371473 /nfs/dbraw/zinc/37/14/73/457371473.db2.gz ZQTKVOVBQBTCFJ-UHFFFAOYSA-N 2 2 344.528 3.458 20 0 EGADLP CC[C@H](F)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352462998 457387559 /nfs/dbraw/zinc/38/75/59/457387559.db2.gz HJCUYJVRZLBTCS-LBPRGKRZSA-N 2 2 344.228 3.489 20 0 EGADLP CC[C@H](F)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352462998 457387561 /nfs/dbraw/zinc/38/75/61/457387561.db2.gz HJCUYJVRZLBTCS-LBPRGKRZSA-N 2 2 344.228 3.489 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000357247348 457399457 /nfs/dbraw/zinc/39/94/57/457399457.db2.gz ZQWDQYXDQCYOPW-CQSZACIVSA-N 2 2 326.444 3.144 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000352496661 457415224 /nfs/dbraw/zinc/41/52/24/457415224.db2.gz YCQACIVMJDXWIT-ABSDTBQOSA-N 2 2 339.483 3.274 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000352496661 457415232 /nfs/dbraw/zinc/41/52/32/457415232.db2.gz YCQACIVMJDXWIT-ABSDTBQOSA-N 2 2 339.483 3.274 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC000360894766 457415826 /nfs/dbraw/zinc/41/58/26/457415826.db2.gz QSEYTZJWIQMZNU-QUCCMNQESA-N 2 2 345.531 3.205 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1C ZINC000360894766 457415836 /nfs/dbraw/zinc/41/58/36/457415836.db2.gz QSEYTZJWIQMZNU-QUCCMNQESA-N 2 2 345.531 3.205 20 0 EGADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360943580 457451141 /nfs/dbraw/zinc/45/11/41/457451141.db2.gz WBUONKOOMKJLFI-RUYXUALKSA-N 3 2 330.520 3.008 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2csc3ccccc23)CC1 ZINC000360955292 457464056 /nfs/dbraw/zinc/46/40/56/457464056.db2.gz QPGCTXLVCYIDMR-UHFFFAOYSA-N 2 2 346.496 3.409 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000356123657 457466548 /nfs/dbraw/zinc/46/65/48/457466548.db2.gz ITBYVJWHAALDKU-GHMZBOCLSA-N 2 2 335.250 3.240 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369949577 457473437 /nfs/dbraw/zinc/47/34/37/457473437.db2.gz YBSLKHBEBIZRBZ-BHYGNILZSA-N 2 2 337.508 3.039 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369949577 457473442 /nfs/dbraw/zinc/47/34/42/457473442.db2.gz YBSLKHBEBIZRBZ-BHYGNILZSA-N 2 2 337.508 3.039 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314975 457493790 /nfs/dbraw/zinc/49/37/90/457493790.db2.gz KBJNXOSWFXWHPJ-AEFFLSMTSA-N 2 2 342.487 3.168 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314975 457493797 /nfs/dbraw/zinc/49/37/97/457493797.db2.gz KBJNXOSWFXWHPJ-AEFFLSMTSA-N 2 2 342.487 3.168 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1C ZINC000425328864 457499019 /nfs/dbraw/zinc/49/90/19/457499019.db2.gz SKRNPGYZEPTTPX-UHFFFAOYSA-N 2 2 330.863 3.429 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1C ZINC000425328864 457499029 /nfs/dbraw/zinc/49/90/29/457499029.db2.gz SKRNPGYZEPTTPX-UHFFFAOYSA-N 2 2 330.863 3.429 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO[C@@H]1C1CC1 ZINC000364151800 457502100 /nfs/dbraw/zinc/50/21/00/457502100.db2.gz VLMFSPSRVORDLG-HZPDHXFCSA-N 2 2 334.426 3.198 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000398976060 457504445 /nfs/dbraw/zinc/50/44/45/457504445.db2.gz YVHADRVIFGOENJ-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP c1ccc(C[N@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401010084 457521566 /nfs/dbraw/zinc/52/15/66/457521566.db2.gz RFBMAAWGIZQDSN-DOIPELPJSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2CCCC[C@@H]2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000401010084 457521577 /nfs/dbraw/zinc/52/15/77/457521577.db2.gz RFBMAAWGIZQDSN-DOIPELPJSA-N 3 2 327.516 3.019 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342787705 457528634 /nfs/dbraw/zinc/52/86/34/457528634.db2.gz VHIVRWADEGLKIN-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP COC(=O)CC1CC([NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000425377949 457528644 /nfs/dbraw/zinc/52/86/44/457528644.db2.gz IMILBLTYJDCSCL-AVMBEGOGSA-N 2 2 339.439 3.043 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC000342805688 457536735 /nfs/dbraw/zinc/53/67/35/457536735.db2.gz HIRRESSFXPPIEC-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1C ZINC000342805688 457536740 /nfs/dbraw/zinc/53/67/40/457536740.db2.gz HIRRESSFXPPIEC-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP OC1(Cc2ccc(F)cc2)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000361057226 457551381 /nfs/dbraw/zinc/55/13/81/457551381.db2.gz ZIJPSYSKWPBVQE-UHFFFAOYSA-N 2 2 339.414 3.043 20 0 EGADLP COc1cc(C)[nH+]c(CNC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000347621102 457555334 /nfs/dbraw/zinc/55/53/34/457555334.db2.gz GDGCNHILJIKKHV-UHFFFAOYSA-N 2 2 327.472 3.399 20 0 EGADLP COc1cc(C)[nH+]c(CNC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000347621102 457555340 /nfs/dbraw/zinc/55/53/40/457555340.db2.gz GDGCNHILJIKKHV-UHFFFAOYSA-N 2 2 327.472 3.399 20 0 EGADLP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000352724326 457560721 /nfs/dbraw/zinc/56/07/21/457560721.db2.gz QCWKXOGTLMSZRR-KRWDZBQOSA-N 2 2 332.488 3.345 20 0 EGADLP COc1c(O)cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000352724326 457560726 /nfs/dbraw/zinc/56/07/26/457560726.db2.gz QCWKXOGTLMSZRR-KRWDZBQOSA-N 2 2 332.488 3.345 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101242 457580955 /nfs/dbraw/zinc/58/09/55/457580955.db2.gz AYVATLVAMBMTAW-UKRRQHHQSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101242 457580960 /nfs/dbraw/zinc/58/09/60/457580960.db2.gz AYVATLVAMBMTAW-UKRRQHHQSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101242 457580965 /nfs/dbraw/zinc/58/09/65/457580965.db2.gz AYVATLVAMBMTAW-UKRRQHHQSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@@H]2C1 ZINC000361101242 457580971 /nfs/dbraw/zinc/58/09/71/457580971.db2.gz AYVATLVAMBMTAW-UKRRQHHQSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101241 457581543 /nfs/dbraw/zinc/58/15/43/457581543.db2.gz AYVATLVAMBMTAW-HIFRSBDPSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101241 457581546 /nfs/dbraw/zinc/58/15/46/457581546.db2.gz AYVATLVAMBMTAW-HIFRSBDPSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101241 457581549 /nfs/dbraw/zinc/58/15/49/457581549.db2.gz AYVATLVAMBMTAW-HIFRSBDPSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000361101241 457581552 /nfs/dbraw/zinc/58/15/52/457581552.db2.gz AYVATLVAMBMTAW-HIFRSBDPSA-N 2 2 328.378 3.154 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC(F)F ZINC000370259480 457601490 /nfs/dbraw/zinc/60/14/90/457601490.db2.gz CZVDHBDJULIKFJ-UHFFFAOYSA-N 2 2 337.370 3.119 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000425931427 457654749 /nfs/dbraw/zinc/65/47/49/457654749.db2.gz LSDJYHUFHVTCLP-WOJBJXKFSA-N 2 2 336.479 3.417 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000425931427 457654754 /nfs/dbraw/zinc/65/47/54/457654754.db2.gz LSDJYHUFHVTCLP-WOJBJXKFSA-N 2 2 336.479 3.417 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000370649456 457690899 /nfs/dbraw/zinc/69/08/99/457690899.db2.gz DSDJEOMMPMGAJR-IBGZPJMESA-N 2 2 343.515 3.156 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000370649456 457690902 /nfs/dbraw/zinc/69/09/02/457690902.db2.gz DSDJEOMMPMGAJR-IBGZPJMESA-N 2 2 343.515 3.156 20 0 EGADLP Clc1cccc2c1OC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000370671240 457696833 /nfs/dbraw/zinc/69/68/33/457696833.db2.gz OTDGDWKMCVWODR-SFHVURJKSA-N 2 2 343.858 3.423 20 0 EGADLP C[N@H+](Cc1ccc(Cl)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364861564 457707750 /nfs/dbraw/zinc/70/77/50/457707750.db2.gz TXXOLHKQCLLGPT-UHFFFAOYSA-N 2 2 344.890 3.269 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364861564 457707754 /nfs/dbraw/zinc/70/77/54/457707754.db2.gz TXXOLHKQCLLGPT-UHFFFAOYSA-N 2 2 344.890 3.269 20 0 EGADLP CCS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361440494 457732986 /nfs/dbraw/zinc/73/29/86/457732986.db2.gz OQATXIBADALQIX-IAGOWNOFSA-N 2 2 342.549 3.058 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358026540 457744176 /nfs/dbraw/zinc/74/41/76/457744176.db2.gz QLTPVMDYDQXXMK-FXAWDEMLSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000358026540 457744178 /nfs/dbraw/zinc/74/41/78/457744178.db2.gz QLTPVMDYDQXXMK-FXAWDEMLSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665443 457783929 /nfs/dbraw/zinc/78/39/29/457783929.db2.gz JZTQRQQUNCAOBA-PWIZWCRZSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665443 457783932 /nfs/dbraw/zinc/78/39/32/457783932.db2.gz JZTQRQQUNCAOBA-PWIZWCRZSA-N 2 2 349.563 3.218 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000426300296 457803016 /nfs/dbraw/zinc/80/30/16/457803016.db2.gz DOFLYKVPAYGAEA-KRWDZBQOSA-N 2 2 344.528 3.458 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000426300296 457803022 /nfs/dbraw/zinc/80/30/22/457803022.db2.gz DOFLYKVPAYGAEA-KRWDZBQOSA-N 2 2 344.528 3.458 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366460548 457816026 /nfs/dbraw/zinc/81/60/26/457816026.db2.gz XIUIJNKFOKAXAK-DOTOQJQBSA-N 2 2 341.455 3.363 20 0 EGADLP C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358161012 457825383 /nfs/dbraw/zinc/82/53/83/457825383.db2.gz QQTOSYHNRUCLRM-LIRRHRJNSA-N 2 2 325.387 3.396 20 0 EGADLP Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c2cc(F)ccc2[nH+]1 ZINC000366505895 457833428 /nfs/dbraw/zinc/83/34/28/457833428.db2.gz QNZPKUYLHPUMOY-SFHVURJKSA-N 2 2 340.402 3.355 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300338 457855405 /nfs/dbraw/zinc/85/54/05/457855405.db2.gz OKXQFQHIIQWUJE-SOLBZPMBSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300338 457855410 /nfs/dbraw/zinc/85/54/10/457855410.db2.gz OKXQFQHIIQWUJE-SOLBZPMBSA-N 2 2 338.879 3.032 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444174553 457862818 /nfs/dbraw/zinc/86/28/18/457862818.db2.gz HGRPONXFBXOCJR-KSSFIOAISA-N 2 2 343.814 3.465 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000366608545 457868732 /nfs/dbraw/zinc/86/87/32/457868732.db2.gz MWZLXWLHIAZMQD-SFHVURJKSA-N 2 2 340.471 3.332 20 0 EGADLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1OC(F)F ZINC000411445842 457890129 /nfs/dbraw/zinc/89/01/29/457890129.db2.gz OYXRVFLQSIZHBC-UHFFFAOYSA-N 2 2 340.414 3.357 20 0 EGADLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1OC(F)F ZINC000411445842 457890135 /nfs/dbraw/zinc/89/01/35/457890135.db2.gz OYXRVFLQSIZHBC-UHFFFAOYSA-N 2 2 340.414 3.357 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000361828740 457890606 /nfs/dbraw/zinc/89/06/06/457890606.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 3 2 338.499 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000361828740 457890613 /nfs/dbraw/zinc/89/06/13/457890613.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 3 2 338.499 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000361828740 457890619 /nfs/dbraw/zinc/89/06/19/457890619.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 3 2 338.499 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000361828740 457890624 /nfs/dbraw/zinc/89/06/24/457890624.db2.gz GTDCESOZUSDIQJ-IBGZPJMESA-N 3 2 338.499 3.344 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257968 457892661 /nfs/dbraw/zinc/89/26/61/457892661.db2.gz VFPKITWITAIKBX-AEFFLSMTSA-N 2 2 340.895 3.092 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257968 457892667 /nfs/dbraw/zinc/89/26/67/457892667.db2.gz VFPKITWITAIKBX-AEFFLSMTSA-N 2 2 340.895 3.092 20 0 EGADLP CCCC(=CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CCC ZINC000371404975 457912875 /nfs/dbraw/zinc/91/28/75/457912875.db2.gz ATUYSYQJIDCZGY-LJQANCHMSA-N 2 2 335.536 3.140 20 0 EGADLP CCCC(=CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CCC ZINC000371404975 457912882 /nfs/dbraw/zinc/91/28/82/457912882.db2.gz ATUYSYQJIDCZGY-LJQANCHMSA-N 2 2 335.536 3.140 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358301443 457919969 /nfs/dbraw/zinc/91/99/69/457919969.db2.gz RBJWDKBDWFPERP-HIFRSBDPSA-N 2 2 347.450 3.177 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000358301443 457919975 /nfs/dbraw/zinc/91/99/75/457919975.db2.gz RBJWDKBDWFPERP-HIFRSBDPSA-N 2 2 347.450 3.177 20 0 EGADLP O[C@]1(C[NH2+][C@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891506 457934916 /nfs/dbraw/zinc/93/49/16/457934916.db2.gz HZVDLXABAKBFEH-SFTDATJTSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@]1(C[NH2+][C@H]2CCc3c2cccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000361891506 457934923 /nfs/dbraw/zinc/93/49/23/457934923.db2.gz HZVDLXABAKBFEH-SFTDATJTSA-N 2 2 340.442 3.040 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000361893901 457938383 /nfs/dbraw/zinc/93/83/83/457938383.db2.gz SIRAUSWGEXLYRZ-KUHUBIRLSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000361893901 457938389 /nfs/dbraw/zinc/93/83/89/457938389.db2.gz SIRAUSWGEXLYRZ-KUHUBIRLSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427129030 457947186 /nfs/dbraw/zinc/94/71/86/457947186.db2.gz SMJBFYOEGMJZGY-CTNGQTDRSA-N 2 2 338.499 3.040 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427129030 457947194 /nfs/dbraw/zinc/94/71/94/457947194.db2.gz SMJBFYOEGMJZGY-CTNGQTDRSA-N 2 2 338.499 3.040 20 0 EGADLP Cn1c2ccccc2[nH+]c1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000427504469 457996228 /nfs/dbraw/zinc/99/62/28/457996228.db2.gz KDASQDZVTKEDAZ-SFHVURJKSA-N 2 2 336.439 3.059 20 0 EGADLP C[N@H+](CC(=O)NCCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375771640 458060240 /nfs/dbraw/zinc/06/02/40/458060240.db2.gz VRHYNEBIEMJVAG-DFNIBXOVSA-N 2 2 335.536 3.020 20 0 EGADLP C[N@@H+](CC(=O)NCCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375771640 458060247 /nfs/dbraw/zinc/06/02/47/458060247.db2.gz VRHYNEBIEMJVAG-DFNIBXOVSA-N 2 2 335.536 3.020 20 0 EGADLP C[NH+](CC(=O)NCCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375771640 458060251 /nfs/dbraw/zinc/06/02/51/458060251.db2.gz VRHYNEBIEMJVAG-DFNIBXOVSA-N 2 2 335.536 3.020 20 0 EGADLP C[NH+](CC(=O)NCCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375771640 458060256 /nfs/dbraw/zinc/06/02/56/458060256.db2.gz VRHYNEBIEMJVAG-DFNIBXOVSA-N 2 2 335.536 3.020 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428043830 458071612 /nfs/dbraw/zinc/07/16/12/458071612.db2.gz ZMINICPXLFBTJJ-QUCCMNQESA-N 2 2 335.451 3.123 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428043830 458071614 /nfs/dbraw/zinc/07/16/14/458071614.db2.gz ZMINICPXLFBTJJ-QUCCMNQESA-N 2 2 335.451 3.123 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428052696 458072279 /nfs/dbraw/zinc/07/22/79/458072279.db2.gz ZNPHMLLJRJCXOE-KYOSRNDESA-N 2 2 332.835 3.135 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428052696 458072289 /nfs/dbraw/zinc/07/22/89/458072289.db2.gz ZNPHMLLJRJCXOE-KYOSRNDESA-N 2 2 332.835 3.135 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428052697 458072791 /nfs/dbraw/zinc/07/27/91/458072791.db2.gz ZNPHMLLJRJCXOE-OSAQELSMSA-N 2 2 332.835 3.135 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428052697 458072800 /nfs/dbraw/zinc/07/28/00/458072800.db2.gz ZNPHMLLJRJCXOE-OSAQELSMSA-N 2 2 332.835 3.135 20 0 EGADLP O=C(Nc1cccc(C[N@@H+]2CCC[NH2+]CC2)c1)c1ccccc1Cl ZINC000435374988 458123881 /nfs/dbraw/zinc/12/38/81/458123881.db2.gz KPTOSWXWBSOQLR-UHFFFAOYSA-N 2 2 343.858 3.388 20 0 EGADLP O=C(Nc1cccc(C[N@H+]2CCC[NH2+]CC2)c1)c1ccccc1Cl ZINC000435374988 458123886 /nfs/dbraw/zinc/12/38/86/458123886.db2.gz KPTOSWXWBSOQLR-UHFFFAOYSA-N 2 2 343.858 3.388 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000435390670 458134425 /nfs/dbraw/zinc/13/44/25/458134425.db2.gz SXTPIGDOYZSGPN-QGZVFWFLSA-N 2 2 338.879 3.082 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000435390670 458134431 /nfs/dbraw/zinc/13/44/31/458134431.db2.gz SXTPIGDOYZSGPN-QGZVFWFLSA-N 2 2 338.879 3.082 20 0 EGADLP Cc1nc(C)c(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)s1 ZINC000435438821 458148509 /nfs/dbraw/zinc/14/85/09/458148509.db2.gz RQZKLBCIKMOSFE-CQSZACIVSA-N 2 2 336.530 3.137 20 0 EGADLP Cc1nc(C)c(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)s1 ZINC000435438821 458148513 /nfs/dbraw/zinc/14/85/13/458148513.db2.gz RQZKLBCIKMOSFE-CQSZACIVSA-N 2 2 336.530 3.137 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000428468990 458150914 /nfs/dbraw/zinc/15/09/14/458150914.db2.gz QYJBSFBNDWBCCS-WIYYLYMNSA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000428468990 458150921 /nfs/dbraw/zinc/15/09/21/458150921.db2.gz QYJBSFBNDWBCCS-WIYYLYMNSA-N 2 2 346.515 3.338 20 0 EGADLP CCn1cc[nH+]c1CN(C(=O)CC(C)(C)CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565107 458162022 /nfs/dbraw/zinc/16/20/22/458162022.db2.gz JRBQAHBNSNNYQI-MRXNPFEDSA-N 2 2 346.519 3.200 20 0 EGADLP c1nc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000435585127 458166392 /nfs/dbraw/zinc/16/63/92/458166392.db2.gz PXQZKSPSAXPWDM-QGZVFWFLSA-N 2 2 329.492 3.286 20 0 EGADLP c1nc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000435585127 458166401 /nfs/dbraw/zinc/16/64/01/458166401.db2.gz PXQZKSPSAXPWDM-QGZVFWFLSA-N 2 2 329.492 3.286 20 0 EGADLP C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435612667 458171719 /nfs/dbraw/zinc/17/17/19/458171719.db2.gz YLGVWVVIQQDUPL-CYBMUJFWSA-N 2 2 327.259 3.215 20 0 EGADLP C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435612667 458171728 /nfs/dbraw/zinc/17/17/28/458171728.db2.gz YLGVWVVIQQDUPL-CYBMUJFWSA-N 2 2 327.259 3.215 20 0 EGADLP C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[NH2+]CC1 ZINC000435612668 458172553 /nfs/dbraw/zinc/17/25/53/458172553.db2.gz YLGVWVVIQQDUPL-ZDUSSCGKSA-N 2 2 327.259 3.215 20 0 EGADLP C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[NH2+]CC1 ZINC000435612668 458172561 /nfs/dbraw/zinc/17/25/61/458172561.db2.gz YLGVWVVIQQDUPL-ZDUSSCGKSA-N 2 2 327.259 3.215 20 0 EGADLP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435617811 458173721 /nfs/dbraw/zinc/17/37/21/458173721.db2.gz WUJQUFCIKRQYBH-CYBMUJFWSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435617811 458173727 /nfs/dbraw/zinc/17/37/27/458173727.db2.gz WUJQUFCIKRQYBH-CYBMUJFWSA-N 2 2 344.286 3.396 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000412406411 458194430 /nfs/dbraw/zinc/19/44/30/458194430.db2.gz YEXSUSURHNXPHI-CZUORRHYSA-N 2 2 346.475 3.003 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753990 458194524 /nfs/dbraw/zinc/19/45/24/458194524.db2.gz MNRBPJPRFBDSMI-MSOLQXFVSA-N 2 2 327.476 3.138 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753990 458194531 /nfs/dbraw/zinc/19/45/31/458194531.db2.gz MNRBPJPRFBDSMI-MSOLQXFVSA-N 2 2 327.476 3.138 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C2CCC2)cc1 ZINC000358763335 458200920 /nfs/dbraw/zinc/20/09/20/458200920.db2.gz BRBBGKVSLHNQGD-UHFFFAOYSA-N 2 2 343.515 3.052 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C2CCC2)cc1 ZINC000358763335 458200923 /nfs/dbraw/zinc/20/09/23/458200923.db2.gz BRBBGKVSLHNQGD-UHFFFAOYSA-N 2 2 343.515 3.052 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526313 458246173 /nfs/dbraw/zinc/24/61/73/458246173.db2.gz QQKUEKOREULQQN-IKGGRYGDSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526313 458246177 /nfs/dbraw/zinc/24/61/77/458246177.db2.gz QQKUEKOREULQQN-IKGGRYGDSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(F)cc(Cl)c3)[nH+]c2)C1 ZINC000362529592 458249527 /nfs/dbraw/zinc/24/95/27/458249527.db2.gz SLZOKGIYGVKYGD-QGZVFWFLSA-N 2 2 348.853 3.048 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccc(OC)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000436280085 458282985 /nfs/dbraw/zinc/28/29/85/458282985.db2.gz JRJNTUMBJBISTP-IBGZPJMESA-N 2 2 325.456 3.017 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccc(OC)nc1)[N@H+]1CCc2ccccc2C1 ZINC000436280085 458282990 /nfs/dbraw/zinc/28/29/90/458282990.db2.gz JRJNTUMBJBISTP-IBGZPJMESA-N 2 2 325.456 3.017 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000372382521 458295570 /nfs/dbraw/zinc/29/55/70/458295570.db2.gz GQUPZQUXEBSIEK-INIZCTEOSA-N 2 2 327.476 3.186 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000372382521 458295575 /nfs/dbraw/zinc/29/55/75/458295575.db2.gz GQUPZQUXEBSIEK-INIZCTEOSA-N 2 2 327.476 3.186 20 0 EGADLP CN1C[C@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)Cc2ccccc21 ZINC000436379746 458297385 /nfs/dbraw/zinc/29/73/85/458297385.db2.gz RVNVOCZOLQLDBZ-HNNXBMFYSA-N 2 2 338.480 3.332 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429267556 458304112 /nfs/dbraw/zinc/30/41/12/458304112.db2.gz YFFXQAKMEXLHOC-LJQANCHMSA-N 2 2 325.456 3.429 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429267556 458304119 /nfs/dbraw/zinc/30/41/19/458304119.db2.gz YFFXQAKMEXLHOC-LJQANCHMSA-N 2 2 325.456 3.429 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000447540382 458307246 /nfs/dbraw/zinc/30/72/46/458307246.db2.gz CTJUFTWRPQGFKH-UZLBHIALSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000447540382 458307251 /nfs/dbraw/zinc/30/72/51/458307251.db2.gz CTJUFTWRPQGFKH-UZLBHIALSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000414898878 458326416 /nfs/dbraw/zinc/32/64/16/458326416.db2.gz UFOFTEUVMAFTSD-QZTJIDSGSA-N 2 2 330.451 3.013 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414884623 458326481 /nfs/dbraw/zinc/32/64/81/458326481.db2.gz AZTSEMFLRHZFGW-RTBURBONSA-N 2 2 330.451 3.147 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422355 458331528 /nfs/dbraw/zinc/33/15/28/458331528.db2.gz ZDAMCURTNJJOGS-SVFBPWRDSA-N 2 2 346.515 3.071 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000429422355 458331530 /nfs/dbraw/zinc/33/15/30/458331530.db2.gz ZDAMCURTNJJOGS-SVFBPWRDSA-N 2 2 346.515 3.071 20 0 EGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429460294 458334278 /nfs/dbraw/zinc/33/42/78/458334278.db2.gz XRBHFJFDTDVERS-WIYYLYMNSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429460294 458334284 /nfs/dbraw/zinc/33/42/84/458334284.db2.gz XRBHFJFDTDVERS-WIYYLYMNSA-N 2 2 346.515 3.072 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355405 458341430 /nfs/dbraw/zinc/34/14/30/458341430.db2.gz MRDJOHKOWLHOLO-GOSISDBHSA-N 2 2 340.471 3.155 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355405 458341436 /nfs/dbraw/zinc/34/14/36/458341436.db2.gz MRDJOHKOWLHOLO-GOSISDBHSA-N 2 2 340.471 3.155 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360463 458343239 /nfs/dbraw/zinc/34/32/39/458343239.db2.gz OHIYZJZSXCVALT-MAUKXSAKSA-N 2 2 340.471 3.154 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360463 458343245 /nfs/dbraw/zinc/34/32/45/458343245.db2.gz OHIYZJZSXCVALT-MAUKXSAKSA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360463 458343251 /nfs/dbraw/zinc/34/32/51/458343251.db2.gz OHIYZJZSXCVALT-MAUKXSAKSA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360463 458343254 /nfs/dbraw/zinc/34/32/54/458343254.db2.gz OHIYZJZSXCVALT-MAUKXSAKSA-N 2 2 340.471 3.154 20 0 EGADLP CC[N@H+](CCn1cc(Cl)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000459371582 458347738 /nfs/dbraw/zinc/34/77/38/458347738.db2.gz YLSOJLKOBZZIQW-UHFFFAOYSA-N 2 2 347.894 3.170 20 0 EGADLP CC[N@@H+](CCn1cc(Cl)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000459371582 458347740 /nfs/dbraw/zinc/34/77/40/458347740.db2.gz YLSOJLKOBZZIQW-UHFFFAOYSA-N 2 2 347.894 3.170 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843771 458354397 /nfs/dbraw/zinc/35/43/97/458354397.db2.gz NWCKISQXRSFOFY-BNPWSIICSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C/C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843771 458354399 /nfs/dbraw/zinc/35/43/99/458354399.db2.gz NWCKISQXRSFOFY-BNPWSIICSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[N@H+](C/C=C/C[NH+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843771 458354401 /nfs/dbraw/zinc/35/44/01/458354401.db2.gz NWCKISQXRSFOFY-BNPWSIICSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCO[C@@H](C(C)(C)C)C2)CCO1 ZINC000447843771 458354403 /nfs/dbraw/zinc/35/44/03/458354403.db2.gz NWCKISQXRSFOFY-BNPWSIICSA-N 2 2 338.536 3.036 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000376697651 458371400 /nfs/dbraw/zinc/37/14/00/458371400.db2.gz ZBWPQFMEBCTPIX-SFHVURJKSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000376697651 458371404 /nfs/dbraw/zinc/37/14/04/458371404.db2.gz ZBWPQFMEBCTPIX-SFHVURJKSA-N 2 2 338.455 3.437 20 0 EGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000459441593 458372388 /nfs/dbraw/zinc/37/23/88/458372388.db2.gz YUDUGZWAYPGHAB-MRXNPFEDSA-N 2 2 328.460 3.092 20 0 EGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000459441593 458372393 /nfs/dbraw/zinc/37/23/93/458372393.db2.gz YUDUGZWAYPGHAB-MRXNPFEDSA-N 2 2 328.460 3.092 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448033956 458383431 /nfs/dbraw/zinc/38/34/31/458383431.db2.gz ZIAHLAOMTMWQFC-RHSMWYFYSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448033956 458383433 /nfs/dbraw/zinc/38/34/33/458383433.db2.gz ZIAHLAOMTMWQFC-RHSMWYFYSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000373050567 458386015 /nfs/dbraw/zinc/38/60/15/458386015.db2.gz ZMUJWIPEOWYSDS-RYGJVYDSSA-N 2 2 328.431 3.284 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000373050567 458386020 /nfs/dbraw/zinc/38/60/20/458386020.db2.gz ZMUJWIPEOWYSDS-RYGJVYDSSA-N 2 2 328.431 3.284 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540342 458404247 /nfs/dbraw/zinc/40/42/47/458404247.db2.gz DKBIUZWWEMGJOQ-QFIPXVFZSA-N 2 2 348.494 3.452 20 0 EGADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540342 458404252 /nfs/dbraw/zinc/40/42/52/458404252.db2.gz DKBIUZWWEMGJOQ-QFIPXVFZSA-N 2 2 348.494 3.452 20 0 EGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540342 458404257 /nfs/dbraw/zinc/40/42/57/458404257.db2.gz DKBIUZWWEMGJOQ-QFIPXVFZSA-N 2 2 348.494 3.452 20 0 EGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cnc(C5CC5)nc4)C3)C2)cc1 ZINC000459540342 458404261 /nfs/dbraw/zinc/40/42/61/458404261.db2.gz DKBIUZWWEMGJOQ-QFIPXVFZSA-N 2 2 348.494 3.452 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1-c1ccccc1 ZINC000430132963 458406524 /nfs/dbraw/zinc/40/65/24/458406524.db2.gz DGOMPXLPCLHKFK-CSODHUTKSA-N 2 2 338.499 3.343 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1-c1ccccc1 ZINC000430132963 458406526 /nfs/dbraw/zinc/40/65/26/458406526.db2.gz DGOMPXLPCLHKFK-CSODHUTKSA-N 2 2 338.499 3.343 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CCC[NH2+]1 ZINC000423443127 458433677 /nfs/dbraw/zinc/43/36/77/458433677.db2.gz WWDACLUVZVKZDH-WFASDCNBSA-N 2 2 332.366 3.004 20 0 EGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423514736 458449329 /nfs/dbraw/zinc/44/93/29/458449329.db2.gz MNGJAYRWKBITQA-YOEHRIQHSA-N 2 2 345.512 3.071 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)CCC3)cc1 ZINC000423520959 458450154 /nfs/dbraw/zinc/45/01/54/458450154.db2.gz KUAKIPWPRRDPDR-JKSUJKDBSA-N 2 2 343.496 3.074 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423531177 458452601 /nfs/dbraw/zinc/45/26/01/458452601.db2.gz XULSDUWHTYPNEI-RHSMWYFYSA-N 2 2 330.403 3.257 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423531176 458452936 /nfs/dbraw/zinc/45/29/36/458452936.db2.gz XULSDUWHTYPNEI-PBHICJAKSA-N 2 2 330.403 3.257 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc2ccccc2c1OC(F)F ZINC000423529782 458453017 /nfs/dbraw/zinc/45/30/17/458453017.db2.gz VVIQVOQJYMSOTR-JSGCOSHPSA-N 2 2 336.382 3.080 20 0 EGADLP Cc1nn(C)c2sc([C@@H](C)[NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)cc12 ZINC000423535944 458453392 /nfs/dbraw/zinc/45/33/92/458453392.db2.gz YQIRERICIGVMFS-XOKHGSTOSA-N 2 2 340.496 3.349 20 0 EGADLP [NH3+]C1(C[NH2+][C@H](C2CC2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423532994 458453620 /nfs/dbraw/zinc/45/36/20/458453620.db2.gz WFTURBIEMMSCQT-FQEVSTJZSA-N 3 2 327.516 3.148 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577392 458464710 /nfs/dbraw/zinc/46/47/10/458464710.db2.gz UQMSWNXDIJOQKT-RBUKOAKNSA-N 2 2 331.504 3.045 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577392 458464716 /nfs/dbraw/zinc/46/47/16/458464716.db2.gz UQMSWNXDIJOQKT-RBUKOAKNSA-N 2 2 331.504 3.045 20 0 EGADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430586185 458466389 /nfs/dbraw/zinc/46/63/89/458466389.db2.gz YDPZWHWWZWZILL-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583865 458467055 /nfs/dbraw/zinc/46/70/55/458467055.db2.gz XZKJBMBEDWTKLV-YJBOKZPZSA-N 2 2 333.520 3.444 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583865 458467061 /nfs/dbraw/zinc/46/70/61/458467061.db2.gz XZKJBMBEDWTKLV-YJBOKZPZSA-N 2 2 333.520 3.444 20 0 EGADLP C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000423655573 458468878 /nfs/dbraw/zinc/46/88/78/458468878.db2.gz VKBRFXMTCHTEOG-XHDPSFHLSA-N 2 2 331.803 3.089 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612412 458471949 /nfs/dbraw/zinc/47/19/49/458471949.db2.gz RFECRGVXQYCDMA-UONOGXRCSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612412 458471951 /nfs/dbraw/zinc/47/19/51/458471951.db2.gz RFECRGVXQYCDMA-UONOGXRCSA-N 2 2 332.423 3.177 20 0 EGADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)C1CC[NH2+]CC1 ZINC000430640064 458474570 /nfs/dbraw/zinc/47/45/70/458474570.db2.gz JJONDOWNWFPNJE-UHFFFAOYSA-N 2 2 349.219 3.234 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430641786 458474363 /nfs/dbraw/zinc/47/43/63/458474363.db2.gz UHAPDKKDDCWFPU-CYBMUJFWSA-N 2 2 348.288 3.429 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430641786 458474366 /nfs/dbraw/zinc/47/43/66/458474366.db2.gz UHAPDKKDDCWFPU-CYBMUJFWSA-N 2 2 348.288 3.429 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640336 458474379 /nfs/dbraw/zinc/47/43/79/458474379.db2.gz HDHHJROARXBUIM-XLIONFOSSA-N 2 2 337.467 3.298 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640336 458474382 /nfs/dbraw/zinc/47/43/82/458474382.db2.gz HDHHJROARXBUIM-XLIONFOSSA-N 2 2 337.467 3.298 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373388142 458478991 /nfs/dbraw/zinc/47/89/91/458478991.db2.gz NCUAPCYDYMMWMA-RYUDHWBXSA-N 2 2 327.241 3.305 20 0 EGADLP Cn1c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2[nH+]c1C(C)(C)C ZINC000423809722 458488754 /nfs/dbraw/zinc/48/87/54/458488754.db2.gz LIPJAPLDDFLAFE-UHFFFAOYSA-N 2 2 328.460 3.199 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc2[nH+]c1C1CC1 ZINC000423817866 458490216 /nfs/dbraw/zinc/49/02/16/458490216.db2.gz YQFXAFHXSHFLNF-LIRRHRJNSA-N 2 2 326.444 3.297 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923652 458506789 /nfs/dbraw/zinc/50/67/89/458506789.db2.gz FRXHQJRZSJREGK-PXNSSMCTSA-N 2 2 337.467 3.264 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430923652 458506792 /nfs/dbraw/zinc/50/67/92/458506792.db2.gz FRXHQJRZSJREGK-PXNSSMCTSA-N 2 2 337.467 3.264 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430963274 458511182 /nfs/dbraw/zinc/51/11/82/458511182.db2.gz TYDNGUZLMPQEAS-VQIMIIECSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430963274 458511184 /nfs/dbraw/zinc/51/11/84/458511184.db2.gz TYDNGUZLMPQEAS-VQIMIIECSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965916 458511753 /nfs/dbraw/zinc/51/17/53/458511753.db2.gz LWYDSFUICMXFAM-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430965916 458511759 /nfs/dbraw/zinc/51/17/59/458511759.db2.gz LWYDSFUICMXFAM-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H](Cc1ccccc1F)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000438086898 458529413 /nfs/dbraw/zinc/52/94/13/458529413.db2.gz JDJFZKKRKULZAU-HNNXBMFYSA-N 2 2 328.435 3.016 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101456 458532197 /nfs/dbraw/zinc/53/21/97/458532197.db2.gz OTHOJOSGMHHMMW-OXJNMPFZSA-N 2 2 344.478 3.375 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101456 458532204 /nfs/dbraw/zinc/53/22/04/458532204.db2.gz OTHOJOSGMHHMMW-OXJNMPFZSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101456 458532209 /nfs/dbraw/zinc/53/22/09/458532209.db2.gz OTHOJOSGMHHMMW-OXJNMPFZSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101456 458532215 /nfs/dbraw/zinc/53/22/15/458532215.db2.gz OTHOJOSGMHHMMW-OXJNMPFZSA-N 2 2 344.478 3.375 20 0 EGADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)ccc2[nH+]1 ZINC000438135916 458540453 /nfs/dbraw/zinc/54/04/53/458540453.db2.gz YJDPWTMMVLJWHN-KRWDZBQOSA-N 2 2 341.459 3.029 20 0 EGADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)ccc2[nH+]1 ZINC000438135916 458540461 /nfs/dbraw/zinc/54/04/61/458540461.db2.gz YJDPWTMMVLJWHN-KRWDZBQOSA-N 2 2 341.459 3.029 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1C ZINC000438165811 458544904 /nfs/dbraw/zinc/54/49/04/458544904.db2.gz LXMRDQYDSNOTMQ-GOEBONIOSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000438165811 458544911 /nfs/dbraw/zinc/54/49/11/458544911.db2.gz LXMRDQYDSNOTMQ-GOEBONIOSA-N 2 2 340.427 3.478 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493797607 458569765 /nfs/dbraw/zinc/56/97/65/458569765.db2.gz XURSTHAMNUDFRT-ZHACJKMWSA-N 2 2 337.467 3.132 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469851620 458597143 /nfs/dbraw/zinc/59/71/43/458597143.db2.gz ZOOXESUMUSSOSC-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469851620 458597148 /nfs/dbraw/zinc/59/71/48/458597148.db2.gz ZOOXESUMUSSOSC-JSGCOSHPSA-N 2 2 326.868 3.307 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000424277146 458602583 /nfs/dbraw/zinc/60/25/83/458602583.db2.gz BMYHEYFLJQWDMK-KGLIPLIRSA-N 2 2 326.868 3.110 20 0 EGADLP CCC1CCC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000462363424 458614573 /nfs/dbraw/zinc/61/45/73/458614573.db2.gz CRPQLNDLEQRBES-UHFFFAOYSA-N 2 2 346.515 3.456 20 0 EGADLP CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000462365485 458614645 /nfs/dbraw/zinc/61/46/45/458614645.db2.gz LRXBRONQSJDBIG-AZUAARDMSA-N 2 2 346.515 3.456 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000424329531 458617868 /nfs/dbraw/zinc/61/78/68/458617868.db2.gz GTPHQPZHPHKTIG-KQEPKPNTSA-N 2 2 339.483 3.265 20 0 EGADLP CCCc1csc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045688 458619041 /nfs/dbraw/zinc/61/90/41/458619041.db2.gz BULODYJPKQHJOF-WBVHZDCISA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1csc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)n1 ZINC000494045688 458619045 /nfs/dbraw/zinc/61/90/45/458619045.db2.gz BULODYJPKQHJOF-WBVHZDCISA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1csc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)n1 ZINC000494369929 458665396 /nfs/dbraw/zinc/66/53/96/458665396.db2.gz PKCWMLGXUIOBMM-UHFFFAOYSA-N 2 2 333.501 3.326 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494431673 458674734 /nfs/dbraw/zinc/67/47/34/458674734.db2.gz FKYGZIDIWLZPQO-LJQANCHMSA-N 2 2 349.482 3.158 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000463734661 458717615 /nfs/dbraw/zinc/71/76/15/458717615.db2.gz PUUHVJJMZOFIFD-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000463734661 458717618 /nfs/dbraw/zinc/71/76/18/458717618.db2.gz PUUHVJJMZOFIFD-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530217186 458719948 /nfs/dbraw/zinc/71/99/48/458719948.db2.gz FQNHZACDUOUPRD-MAUKXSAKSA-N 2 2 344.503 3.496 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494923546 458766920 /nfs/dbraw/zinc/76/69/20/458766920.db2.gz NUGGIENRSKZMLZ-JZXOWHBKSA-N 2 2 333.524 3.384 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494923546 458766925 /nfs/dbraw/zinc/76/69/25/458766925.db2.gz NUGGIENRSKZMLZ-JZXOWHBKSA-N 2 2 333.524 3.384 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902449 458843415 /nfs/dbraw/zinc/84/34/15/458843415.db2.gz DOYGOWZOQSSBHY-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902449 458843418 /nfs/dbraw/zinc/84/34/18/458843418.db2.gz DOYGOWZOQSSBHY-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902449 458843422 /nfs/dbraw/zinc/84/34/22/458843422.db2.gz DOYGOWZOQSSBHY-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902449 458843426 /nfs/dbraw/zinc/84/34/26/458843426.db2.gz DOYGOWZOQSSBHY-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140688 458876870 /nfs/dbraw/zinc/87/68/70/458876870.db2.gz DWLJQVFHQWIEGD-DZGCQCFKSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140688 458876875 /nfs/dbraw/zinc/87/68/75/458876875.db2.gz DWLJQVFHQWIEGD-DZGCQCFKSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140688 458876880 /nfs/dbraw/zinc/87/68/80/458876880.db2.gz DWLJQVFHQWIEGD-DZGCQCFKSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140688 458876884 /nfs/dbraw/zinc/87/68/84/458876884.db2.gz DWLJQVFHQWIEGD-DZGCQCFKSA-N 2 2 337.895 3.392 20 0 EGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000474486856 458888367 /nfs/dbraw/zinc/88/83/67/458888367.db2.gz IUUUSFJODOUXBY-HLAWJBBLSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000474486856 458888368 /nfs/dbraw/zinc/88/83/68/458888368.db2.gz IUUUSFJODOUXBY-HLAWJBBLSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000475149071 458925543 /nfs/dbraw/zinc/92/55/43/458925543.db2.gz BSHGDNZLDSZNNF-HKBOAZHASA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000475149071 458925545 /nfs/dbraw/zinc/92/55/45/458925545.db2.gz BSHGDNZLDSZNNF-HKBOAZHASA-N 2 2 330.516 3.210 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804379 458959885 /nfs/dbraw/zinc/95/98/85/458959885.db2.gz OLXANJFTSPEJGP-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804379 458959889 /nfs/dbraw/zinc/95/98/89/458959889.db2.gz OLXANJFTSPEJGP-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000531693826 458962902 /nfs/dbraw/zinc/96/29/02/458962902.db2.gz ZSMVZHVQPHZMHZ-UHFFFAOYSA-N 2 2 341.377 3.321 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000495849882 458975731 /nfs/dbraw/zinc/97/57/31/458975731.db2.gz LOWAQYSHWXMPQR-RDJZCZTQSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000495849882 458975734 /nfs/dbraw/zinc/97/57/34/458975734.db2.gz LOWAQYSHWXMPQR-RDJZCZTQSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C[C@H](C)O1 ZINC000566836747 459007430 /nfs/dbraw/zinc/00/74/30/459007430.db2.gz DSRDFXAGLVRCDC-PIIMJCKOSA-N 2 2 338.536 3.346 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C[C@H](C)O1 ZINC000566836747 459007439 /nfs/dbraw/zinc/00/74/39/459007439.db2.gz DSRDFXAGLVRCDC-PIIMJCKOSA-N 2 2 338.536 3.346 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000577327971 459016432 /nfs/dbraw/zinc/01/64/32/459016432.db2.gz ONAJDIQOIAMPTF-TZIWHRDSSA-N 2 2 347.547 3.078 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000577327971 459016434 /nfs/dbraw/zinc/01/64/34/459016434.db2.gz ONAJDIQOIAMPTF-TZIWHRDSSA-N 2 2 347.547 3.078 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCc3c[nH+]cn3C)C2)s1 ZINC000577383648 459025372 /nfs/dbraw/zinc/02/53/72/459025372.db2.gz DCEQRBVOAZULBP-QGZVFWFLSA-N 3 2 346.544 3.177 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCc3c[nH+]cn3C)C2)s1 ZINC000577383648 459025378 /nfs/dbraw/zinc/02/53/78/459025378.db2.gz DCEQRBVOAZULBP-QGZVFWFLSA-N 3 2 346.544 3.177 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767183 459033217 /nfs/dbraw/zinc/03/32/17/459033217.db2.gz QCSCPKHUEQFQEA-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767183 459033226 /nfs/dbraw/zinc/03/32/26/459033226.db2.gz QCSCPKHUEQFQEA-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041515 459038519 /nfs/dbraw/zinc/03/85/19/459038519.db2.gz JNDWQKWNVFUKOO-CTNGQTDRSA-N 2 2 348.446 3.442 20 0 EGADLP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000532204132 459045947 /nfs/dbraw/zinc/04/59/47/459045947.db2.gz GDXKAYOWYIAHRQ-UYAOXDASSA-N 2 2 332.488 3.066 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000532276204 459059291 /nfs/dbraw/zinc/05/92/91/459059291.db2.gz NXAMAISNYSRNJW-SFHVURJKSA-N 2 2 327.472 3.480 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000532378071 459076586 /nfs/dbraw/zinc/07/65/86/459076586.db2.gz QAKOSMXVAFWYMR-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000532378071 459076597 /nfs/dbraw/zinc/07/65/97/459076597.db2.gz QAKOSMXVAFWYMR-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000532378071 459076604 /nfs/dbraw/zinc/07/66/04/459076604.db2.gz QAKOSMXVAFWYMR-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000532378071 459076607 /nfs/dbraw/zinc/07/66/07/459076607.db2.gz QAKOSMXVAFWYMR-LJQANCHMSA-N 2 2 335.923 3.332 20 0 EGADLP COc1cc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)ccn1 ZINC000567296164 459081115 /nfs/dbraw/zinc/08/11/15/459081115.db2.gz CTJBBUWTEZIJOH-KRWDZBQOSA-N 2 2 347.503 3.024 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000577741455 459087685 /nfs/dbraw/zinc/08/76/85/459087685.db2.gz LURATOHVJRUXCI-BBRMVZONSA-N 2 2 330.394 3.115 20 0 EGADLP CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000496188425 459102663 /nfs/dbraw/zinc/10/26/63/459102663.db2.gz JRPZOBINPTWJTJ-AWEZNQCLSA-N 2 2 348.472 3.034 20 0 EGADLP CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000496188425 459102667 /nfs/dbraw/zinc/10/26/67/459102667.db2.gz JRPZOBINPTWJTJ-AWEZNQCLSA-N 2 2 348.472 3.034 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000532531125 459106159 /nfs/dbraw/zinc/10/61/59/459106159.db2.gz OWVGAARDZMDSMC-HOTGVXAUSA-N 2 2 332.492 3.209 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000532531125 459106164 /nfs/dbraw/zinc/10/61/64/459106164.db2.gz OWVGAARDZMDSMC-HOTGVXAUSA-N 2 2 332.492 3.209 20 0 EGADLP C[C@H]1[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000567708466 459150356 /nfs/dbraw/zinc/15/03/56/459150356.db2.gz PFBHVWBCUHXXLD-FXAWDEMLSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@H]1[C@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000567708466 459150362 /nfs/dbraw/zinc/15/03/62/459150362.db2.gz PFBHVWBCUHXXLD-FXAWDEMLSA-N 2 2 337.467 3.268 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000558389728 459152592 /nfs/dbraw/zinc/15/25/92/459152592.db2.gz YQILFKVOILGXCJ-GHTZIAJQSA-N 2 2 326.484 3.354 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000558389728 459152597 /nfs/dbraw/zinc/15/25/97/459152597.db2.gz YQILFKVOILGXCJ-GHTZIAJQSA-N 2 2 326.484 3.354 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008556 459177322 /nfs/dbraw/zinc/17/73/22/459177322.db2.gz AVDNXNJYUNKVNR-HIFRSBDPSA-N 2 2 328.859 3.487 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008556 459177328 /nfs/dbraw/zinc/17/73/28/459177328.db2.gz AVDNXNJYUNKVNR-HIFRSBDPSA-N 2 2 328.859 3.487 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000558623675 459182368 /nfs/dbraw/zinc/18/23/68/459182368.db2.gz DOSUYTYGAGGQDH-LJQANCHMSA-N 2 2 332.463 3.339 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000533388894 459229637 /nfs/dbraw/zinc/22/96/37/459229637.db2.gz OZJIYQLSSNWGJH-VQBCORBOSA-N 2 2 327.472 3.375 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000533388894 459229639 /nfs/dbraw/zinc/22/96/39/459229639.db2.gz OZJIYQLSSNWGJH-VQBCORBOSA-N 2 2 327.472 3.375 20 0 EGADLP C[N@@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000568165646 459236666 /nfs/dbraw/zinc/23/66/66/459236666.db2.gz SRKMHYYDUSIFPK-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccc(OCc2ccccc2)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000568165646 459236668 /nfs/dbraw/zinc/23/66/68/459236668.db2.gz SRKMHYYDUSIFPK-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccc(OCc2ccccc2)nc1)C[C@H]1CCC[N@H+](C)C1 ZINC000568165646 459236672 /nfs/dbraw/zinc/23/66/72/459236672.db2.gz SRKMHYYDUSIFPK-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccc(OCc2ccccc2)nc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000568165646 459236674 /nfs/dbraw/zinc/23/66/74/459236674.db2.gz SRKMHYYDUSIFPK-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP Cc1c[nH+]c(C)nc1N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000568251563 459257825 /nfs/dbraw/zinc/25/78/25/459257825.db2.gz VGZSRRUYWUBJBT-GJZGRUSLSA-N 2 2 334.464 3.204 20 0 EGADLP Cc1c[nH+]c(C)nc1N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000568251563 459257832 /nfs/dbraw/zinc/25/78/32/459257832.db2.gz VGZSRRUYWUBJBT-GJZGRUSLSA-N 2 2 334.464 3.204 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000533795443 459268241 /nfs/dbraw/zinc/26/82/41/459268241.db2.gz BPZFOWFKLRNESZ-MRXNPFEDSA-N 2 2 339.886 3.476 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000533795443 459268247 /nfs/dbraw/zinc/26/82/47/459268247.db2.gz BPZFOWFKLRNESZ-MRXNPFEDSA-N 2 2 339.886 3.476 20 0 EGADLP c1csc([C@H](C[NH2+][C@@H]2COc3ccccc3C2)[NH+]2CCCC2)c1 ZINC000559721830 459274438 /nfs/dbraw/zinc/27/44/38/459274438.db2.gz JCLXLLRRPJERFR-IRXDYDNUSA-N 2 2 328.481 3.478 20 0 EGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000559959542 459287677 /nfs/dbraw/zinc/28/76/77/459287677.db2.gz WVBVHRPKRJZHPH-DOTOQJQBSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000559959542 459287679 /nfs/dbraw/zinc/28/76/79/459287679.db2.gz WVBVHRPKRJZHPH-DOTOQJQBSA-N 2 2 326.488 3.491 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000482240378 459298164 /nfs/dbraw/zinc/29/81/64/459298164.db2.gz HDPFMMSGXHPWQQ-AWEZNQCLSA-N 2 2 338.879 3.338 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000568918007 459365735 /nfs/dbraw/zinc/36/57/35/459365735.db2.gz OVOOGXQZODRNNV-INIZCTEOSA-N 2 2 349.438 3.464 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000560558155 459373837 /nfs/dbraw/zinc/37/38/37/459373837.db2.gz OHNCKSXCYYMQSN-ZPMJSYDFSA-N 2 2 328.500 3.410 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000560558155 459373843 /nfs/dbraw/zinc/37/38/43/459373843.db2.gz OHNCKSXCYYMQSN-ZPMJSYDFSA-N 2 2 328.500 3.410 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000483686373 459382491 /nfs/dbraw/zinc/38/24/91/459382491.db2.gz PXWVTNRIHKDIHO-HZEGPAAWSA-N 2 2 338.499 3.477 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000483686373 459382500 /nfs/dbraw/zinc/38/25/00/459382500.db2.gz PXWVTNRIHKDIHO-HZEGPAAWSA-N 2 2 338.499 3.477 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(I)cc1 ZINC000591578031 459406431 /nfs/dbraw/zinc/40/64/31/459406431.db2.gz NYMKHTXWLKGNMW-FZMZJTMJSA-N 2 2 344.240 3.084 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3C[C@H](C)C[C@@H](C)C3)c2cc1C ZINC000560903720 459405157 /nfs/dbraw/zinc/40/51/57/459405157.db2.gz NCBODFXWVQXXFT-HBUWYVDXSA-N 2 2 329.488 3.428 20 0 EGADLP OC[C@H](C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053848 459415599 /nfs/dbraw/zinc/41/55/99/459415599.db2.gz YZWJAMOCWMIENF-SFTDATJTSA-N 2 2 330.516 3.082 20 0 EGADLP OC[C@H](C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053848 459415606 /nfs/dbraw/zinc/41/56/06/459415606.db2.gz YZWJAMOCWMIENF-SFTDATJTSA-N 2 2 330.516 3.082 20 0 EGADLP Cc1ccccc1[C@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331180 459433040 /nfs/dbraw/zinc/43/30/40/459433040.db2.gz KRLDLWPPZMGMJB-YLJYHZDGSA-N 2 2 328.431 3.250 20 0 EGADLP Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000569331180 459433045 /nfs/dbraw/zinc/43/30/45/459433045.db2.gz KRLDLWPPZMGMJB-YLJYHZDGSA-N 2 2 328.431 3.250 20 0 EGADLP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000484990592 459437888 /nfs/dbraw/zinc/43/78/88/459437888.db2.gz AAZAAYUUXLDIPV-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000484990592 459437891 /nfs/dbraw/zinc/43/78/91/459437891.db2.gz AAZAAYUUXLDIPV-FQEVSTJZSA-N 2 2 346.515 3.117 20 0 EGADLP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582858503 459439666 /nfs/dbraw/zinc/43/96/66/459439666.db2.gz GUZSNGBEZLMJSR-KXBFYZLASA-N 2 2 336.907 3.445 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000542312790 459546495 /nfs/dbraw/zinc/54/64/95/459546495.db2.gz FDDSAYNBEKNXJV-COPCDDAFSA-N 2 2 338.495 3.405 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000542312790 459546503 /nfs/dbraw/zinc/54/65/03/459546503.db2.gz FDDSAYNBEKNXJV-COPCDDAFSA-N 2 2 338.495 3.405 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535701 459555740 /nfs/dbraw/zinc/55/57/40/459555740.db2.gz YYCRQFCVSSGEAQ-QKNQBKEWSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535701 459555747 /nfs/dbraw/zinc/55/57/47/459555747.db2.gz YYCRQFCVSSGEAQ-QKNQBKEWSA-N 2 2 347.547 3.158 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)C[C@@H]1C ZINC000592403098 459594863 /nfs/dbraw/zinc/59/48/63/459594863.db2.gz LGWPQBLSKBLBMB-QILLFSRXSA-N 2 2 343.471 3.143 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2noc3ccccc23)[C@@H](C)C1 ZINC000573137508 459632059 /nfs/dbraw/zinc/63/20/59/459632059.db2.gz PHTUIUPQAVJFGH-RDJZCZTQSA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2noc3ccccc23)[C@@H](C)C1 ZINC000573137508 459632062 /nfs/dbraw/zinc/63/20/62/459632062.db2.gz PHTUIUPQAVJFGH-RDJZCZTQSA-N 2 2 331.460 3.054 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000543406940 459653843 /nfs/dbraw/zinc/65/38/43/459653843.db2.gz OSCNBSGWKLDXSW-MRXNPFEDSA-N 2 2 334.423 3.408 20 0 EGADLP c1cn(-c2cccc(C[NH2+][C@H](c3nnc[nH]3)C3CCCCC3)c2)c[nH+]1 ZINC000562929064 459671491 /nfs/dbraw/zinc/67/14/91/459671491.db2.gz SZCHAVMVFWCQPR-SFHVURJKSA-N 2 2 336.443 3.402 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000584214100 459681072 /nfs/dbraw/zinc/68/10/72/459681072.db2.gz RGQSJNZNARFYAW-IEBWSBKVSA-N 2 2 348.556 3.102 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527647356 459684524 /nfs/dbraw/zinc/68/45/24/459684524.db2.gz DAKNOJOXGRFITA-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527647356 459684529 /nfs/dbraw/zinc/68/45/29/459684529.db2.gz DAKNOJOXGRFITA-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccsc2S1 ZINC000562980782 459684877 /nfs/dbraw/zinc/68/48/77/459684877.db2.gz LMFMIBLORMTBQF-GXFFZTMASA-N 2 2 349.529 3.048 20 0 EGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527678345 459697779 /nfs/dbraw/zinc/69/77/79/459697779.db2.gz ZVFDKEKUTURULA-HOTGVXAUSA-N 2 2 344.833 3.086 20 0 EGADLP C[C@@H](CC[NH2+]Cc1ncc(Br)cc1F)[NH+]1CCCCC1 ZINC000527693989 459703244 /nfs/dbraw/zinc/70/32/44/459703244.db2.gz ZBVZQLMBRUNXAP-LBPRGKRZSA-N 2 2 344.272 3.337 20 0 EGADLP Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)s1 ZINC000592895234 459714930 /nfs/dbraw/zinc/71/49/30/459714930.db2.gz NXGGPEBJINRKAA-QAPCUYQASA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)s1 ZINC000592895234 459714933 /nfs/dbraw/zinc/71/49/33/459714933.db2.gz NXGGPEBJINRKAA-QAPCUYQASA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000592895234 459714937 /nfs/dbraw/zinc/71/49/37/459714937.db2.gz NXGGPEBJINRKAA-QAPCUYQASA-N 2 2 347.528 3.246 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000592895234 459714939 /nfs/dbraw/zinc/71/49/39/459714939.db2.gz NXGGPEBJINRKAA-QAPCUYQASA-N 2 2 347.528 3.246 20 0 EGADLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c(F)c1 ZINC000584355087 459718403 /nfs/dbraw/zinc/71/84/03/459718403.db2.gz KJVKRWPQHBFDKT-UHFFFAOYSA-N 2 2 327.403 3.443 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764982 459728619 /nfs/dbraw/zinc/72/86/19/459728619.db2.gz WRAYGMKMUIUWAQ-OXQOHEQNSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C1 ZINC000527764982 459728627 /nfs/dbraw/zinc/72/86/27/459728627.db2.gz WRAYGMKMUIUWAQ-OXQOHEQNSA-N 2 2 334.467 3.498 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccn2cc[nH+]c2c1 ZINC000584440011 459737224 /nfs/dbraw/zinc/73/72/24/459737224.db2.gz XXYJLCYIXKFYHM-SFHVURJKSA-N 2 2 349.438 3.120 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253584 459749416 /nfs/dbraw/zinc/74/94/16/459749416.db2.gz XBWUUZJKIZGCRW-CZUORRHYSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000563253584 459749419 /nfs/dbraw/zinc/74/94/19/459749419.db2.gz XBWUUZJKIZGCRW-CZUORRHYSA-N 2 2 333.407 3.123 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000573931350 459759410 /nfs/dbraw/zinc/75/94/10/459759410.db2.gz SBIDXLAXDHPFOW-HIFRSBDPSA-N 2 2 341.455 3.032 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000573931350 459759413 /nfs/dbraw/zinc/75/94/13/459759413.db2.gz SBIDXLAXDHPFOW-HIFRSBDPSA-N 2 2 341.455 3.032 20 0 EGADLP Cn1cc2ccc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2n1 ZINC000527961206 459783033 /nfs/dbraw/zinc/78/30/33/459783033.db2.gz HKHOGYMTKRJVIP-FQEVSTJZSA-N 2 2 334.467 3.328 20 0 EGADLP Cn1cc2ccc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2n1 ZINC000527961206 459783038 /nfs/dbraw/zinc/78/30/38/459783038.db2.gz HKHOGYMTKRJVIP-FQEVSTJZSA-N 2 2 334.467 3.328 20 0 EGADLP CCCCC/C(=C\c1ccccc1)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000588178624 459926941 /nfs/dbraw/zinc/92/69/41/459926941.db2.gz HBFFBWFLPSBLQJ-CAPFRKAQSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690553 459970956 /nfs/dbraw/zinc/97/09/56/459970956.db2.gz ZPRUBXAQUXECBV-WMLDXEAASA-N 2 2 334.410 3.108 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690553 459970962 /nfs/dbraw/zinc/97/09/62/459970962.db2.gz ZPRUBXAQUXECBV-WMLDXEAASA-N 2 2 334.410 3.108 20 0 EGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690440 459971639 /nfs/dbraw/zinc/97/16/39/459971639.db2.gz YFLBHNCMRNUGND-PKOBYXMFSA-N 2 2 342.483 3.147 20 0 EGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690440 459971644 /nfs/dbraw/zinc/97/16/44/459971644.db2.gz YFLBHNCMRNUGND-PKOBYXMFSA-N 2 2 342.483 3.147 20 0 EGADLP Cn1c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)cc2[nH+]c1C1CC1 ZINC000621658609 459999001 /nfs/dbraw/zinc/99/90/01/459999001.db2.gz MVRONKWCFKFKLU-ZDUSSCGKSA-N 2 2 326.444 3.169 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000575797139 460004404 /nfs/dbraw/zinc/00/44/04/460004404.db2.gz ZLGQQWMWQMSHJJ-OAQYLSRUSA-N 2 2 335.451 3.015 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000621760509 460054519 /nfs/dbraw/zinc/05/45/19/460054519.db2.gz MVOKCVSKECGFQU-MJGOQNOKSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c2ccccc21 ZINC000621760509 460054526 /nfs/dbraw/zinc/05/45/26/460054526.db2.gz MVOKCVSKECGFQU-MJGOQNOKSA-N 2 2 327.472 3.091 20 0 EGADLP CCCC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000621805406 460072095 /nfs/dbraw/zinc/07/20/95/460072095.db2.gz XWKRTWNHNXUOEY-IBGZPJMESA-N 2 2 337.552 3.124 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)o1 ZINC000597853171 460080928 /nfs/dbraw/zinc/08/09/28/460080928.db2.gz YSTPBYIWXLNUIV-UHFFFAOYSA-N 2 2 340.427 3.008 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003793 460157765 /nfs/dbraw/zinc/15/77/65/460157765.db2.gz GAISZQFUGZRPQK-OXQOHEQNSA-N 2 2 336.439 3.147 20 0 EGADLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003793 460157770 /nfs/dbraw/zinc/15/77/70/460157770.db2.gz GAISZQFUGZRPQK-OXQOHEQNSA-N 2 2 336.439 3.147 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006142 460159362 /nfs/dbraw/zinc/15/93/62/460159362.db2.gz VTDVWLHFBOCRGT-CTNGQTDRSA-N 2 2 338.499 3.170 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006142 460159370 /nfs/dbraw/zinc/15/93/70/460159370.db2.gz VTDVWLHFBOCRGT-CTNGQTDRSA-N 2 2 338.499 3.170 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000576749769 460205093 /nfs/dbraw/zinc/20/50/93/460205093.db2.gz XCDQEZBHFGFKHJ-DLBZAZTESA-N 2 2 348.450 3.030 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088800 460408594 /nfs/dbraw/zinc/40/85/94/460408594.db2.gz FQSPRKAMJXKTRG-UHFFFAOYSA-N 2 2 348.441 3.452 20 0 EGADLP C[NH+](C)CCCC(C)(C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000615856127 460409468 /nfs/dbraw/zinc/40/94/68/460409468.db2.gz DHOFTIQWRWAJSD-KRWDZBQOSA-N 2 2 342.487 3.168 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000623137144 460419127 /nfs/dbraw/zinc/41/91/27/460419127.db2.gz LELCRQXWZMAUNZ-RTBURBONSA-N 2 2 344.499 3.270 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000623137144 460419132 /nfs/dbraw/zinc/41/91/32/460419132.db2.gz LELCRQXWZMAUNZ-RTBURBONSA-N 2 2 344.499 3.270 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000631572633 460449525 /nfs/dbraw/zinc/44/95/25/460449525.db2.gz NFCDEWNXTUOPFL-IPELMVKDSA-N 2 2 341.430 3.449 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000631655423 460491682 /nfs/dbraw/zinc/49/16/82/460491682.db2.gz RLRSTZUVHJBQNG-MJQACMKBSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000631655423 460491691 /nfs/dbraw/zinc/49/16/91/460491691.db2.gz RLRSTZUVHJBQNG-MJQACMKBSA-N 2 2 338.854 3.381 20 0 EGADLP C[NH+](C)C[C@@H](N[C@H]1CCn2cc[nH+]c21)c1cccc(C(F)(F)F)c1 ZINC000631660670 460495067 /nfs/dbraw/zinc/49/50/67/460495067.db2.gz TYVFMYDDDOLAKJ-LSDHHAIUSA-N 2 2 338.377 3.239 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623340515 460497312 /nfs/dbraw/zinc/49/73/12/460497312.db2.gz LNMHVHAVDJDVFL-CYBMUJFWSA-N 2 2 336.423 3.213 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623340515 460497317 /nfs/dbraw/zinc/49/73/17/460497317.db2.gz LNMHVHAVDJDVFL-CYBMUJFWSA-N 2 2 336.423 3.213 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632478410 460757221 /nfs/dbraw/zinc/75/72/21/460757221.db2.gz FTVOJWGRWQRRJN-UHFFFAOYSA-N 2 2 328.460 3.271 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccn2cc(C)[nH+]c2c1)c1ccco1 ZINC000635437276 460785635 /nfs/dbraw/zinc/78/56/35/460785635.db2.gz JEKVBZCZWOYMQU-MRXNPFEDSA-N 2 2 340.427 3.049 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCc4scnc43)[nH+]c2)C1 ZINC000623943582 460789207 /nfs/dbraw/zinc/78/92/07/460789207.db2.gz BKYYCVYSDQWMAP-CABCVRRESA-N 2 2 343.500 3.168 20 0 EGADLP Cc1csc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000623943911 460789917 /nfs/dbraw/zinc/78/99/17/460789917.db2.gz OGJGBGQZTQGSLI-UKRRQHHQSA-N 2 2 331.489 3.160 20 0 EGADLP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629514867 460790122 /nfs/dbraw/zinc/79/01/22/460790122.db2.gz USJCOHWZGXDRHI-UKRRQHHQSA-N 2 2 338.377 3.022 20 0 EGADLP CC[NH+](CC)CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635447835 460790379 /nfs/dbraw/zinc/79/03/79/460790379.db2.gz NTAQPGBQGKVMHX-SFHVURJKSA-N 2 2 334.508 3.051 20 0 EGADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623984619 460810496 /nfs/dbraw/zinc/81/04/96/460810496.db2.gz QOYHIKWMOPJNQN-OAHLLOKOSA-N 2 2 346.500 3.036 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+]CC2(O)CCC(c3ccccc3)CC2)CCSC1 ZINC000629565449 460812479 /nfs/dbraw/zinc/81/24/79/460812479.db2.gz PRTWUJJZIZZYMJ-GPJFCIFZSA-N 2 2 348.556 3.102 20 0 EGADLP Fc1cc2c(cc1Cl)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000624015023 460821873 /nfs/dbraw/zinc/82/18/73/460821873.db2.gz MHEXGULVWAZQQP-KBXCAEBGSA-N 2 2 338.854 3.309 20 0 EGADLP CC1(C)Cc2cccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)c2O1 ZINC000629657315 460851281 /nfs/dbraw/zinc/85/12/81/460851281.db2.gz WMUSEFCXSHRFDJ-GJZGRUSLSA-N 2 2 342.405 3.359 20 0 EGADLP CC1(C)Cc2cccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)c2O1 ZINC000629657315 460851287 /nfs/dbraw/zinc/85/12/87/460851287.db2.gz WMUSEFCXSHRFDJ-GJZGRUSLSA-N 2 2 342.405 3.359 20 0 EGADLP CCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC[NH+](C)CC1 ZINC000627618877 460861857 /nfs/dbraw/zinc/86/18/57/460861857.db2.gz KIDHVATZDDZRSB-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP O=C1NCC[NH2+][C@@H]1c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000629696914 460870260 /nfs/dbraw/zinc/87/02/60/460870260.db2.gz NOPFFWVMCQEBLD-OAQYLSRUSA-N 2 2 349.478 3.100 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)ccn1 ZINC000621295507 460978791 /nfs/dbraw/zinc/97/87/91/460978791.db2.gz MOLKILRTWPBBET-SFHVURJKSA-N 2 2 338.455 3.039 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)ccn1 ZINC000621295507 460978797 /nfs/dbraw/zinc/97/87/97/460978797.db2.gz MOLKILRTWPBBET-SFHVURJKSA-N 2 2 338.455 3.039 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)cc2)c1C ZINC000635951367 460986836 /nfs/dbraw/zinc/98/68/36/460986836.db2.gz SSPJCOCQSBJTFZ-LJQANCHMSA-N 2 2 338.455 3.445 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)cc2)c1C ZINC000635951367 460986841 /nfs/dbraw/zinc/98/68/41/460986841.db2.gz SSPJCOCQSBJTFZ-LJQANCHMSA-N 2 2 338.455 3.445 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000628128387 461010351 /nfs/dbraw/zinc/01/03/51/461010351.db2.gz CQWDXEMQSYDGDA-UHFFFAOYSA-N 2 2 325.447 3.335 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000628128387 461010354 /nfs/dbraw/zinc/01/03/54/461010354.db2.gz CQWDXEMQSYDGDA-UHFFFAOYSA-N 2 2 325.447 3.335 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc2n1C ZINC000608247858 461017258 /nfs/dbraw/zinc/01/72/58/461017258.db2.gz UAHKPFJVYZIVPV-UHFFFAOYSA-N 2 2 345.406 3.379 20 0 EGADLP c1nc(C2CC2)oc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000628254373 461063899 /nfs/dbraw/zinc/06/38/99/461063899.db2.gz ZLFPMANIZNXXIW-UHFFFAOYSA-N 2 2 326.444 3.464 20 0 EGADLP CC(C)n1cc[nH+]c1CN(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000668160155 461146278 /nfs/dbraw/zinc/14/62/78/461146278.db2.gz ULYUHJAGUVAHED-UHFFFAOYSA-N 2 2 336.430 3.306 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@H]1CC[NH3+] ZINC000652353618 461147927 /nfs/dbraw/zinc/14/79/27/461147927.db2.gz VABOAXPHEGIDMH-YJBOKZPZSA-N 2 2 331.504 3.372 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@H]1CC[NH3+] ZINC000652353618 461147938 /nfs/dbraw/zinc/14/79/38/461147938.db2.gz VABOAXPHEGIDMH-YJBOKZPZSA-N 2 2 331.504 3.372 20 0 EGADLP Brc1c2ccccc2oc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662273885 461160246 /nfs/dbraw/zinc/16/02/46/461160246.db2.gz QJPSAOXXLKCCHN-AAEUAGOBSA-N 2 2 335.245 3.379 20 0 EGADLP Brc1c2ccccc2oc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662273885 461160257 /nfs/dbraw/zinc/16/02/57/461160257.db2.gz QJPSAOXXLKCCHN-AAEUAGOBSA-N 2 2 335.245 3.379 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC000668189812 461169442 /nfs/dbraw/zinc/16/94/42/461169442.db2.gz PZDITGYLBJARBO-UHFFFAOYSA-N 3 2 338.499 3.217 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC000668189812 461169451 /nfs/dbraw/zinc/16/94/51/461169451.db2.gz PZDITGYLBJARBO-UHFFFAOYSA-N 3 2 338.499 3.217 20 0 EGADLP COc1cc2[nH+]ccc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000665698143 461214461 /nfs/dbraw/zinc/21/44/61/461214461.db2.gz TZMCTNJJRYXFEO-CQSZACIVSA-N 2 2 338.411 3.290 20 0 EGADLP OCc1cc[nH+]c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000641469027 461260445 /nfs/dbraw/zinc/26/04/45/461260445.db2.gz PNGSILHNVGUYHR-UHFFFAOYSA-N 2 2 337.467 3.066 20 0 EGADLP OCc1cc[nH+]c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000641469027 461260448 /nfs/dbraw/zinc/26/04/48/461260448.db2.gz PNGSILHNVGUYHR-UHFFFAOYSA-N 2 2 337.467 3.066 20 0 EGADLP C[C@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000638137767 461264321 /nfs/dbraw/zinc/26/43/21/461264321.db2.gz NJCABWBLWOROOC-BDKRGJGYSA-N 2 2 341.543 3.138 20 0 EGADLP C[C@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000638137767 461264329 /nfs/dbraw/zinc/26/43/29/461264329.db2.gz NJCABWBLWOROOC-BDKRGJGYSA-N 2 2 341.543 3.138 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167394 461282977 /nfs/dbraw/zinc/28/29/77/461282977.db2.gz DMKXWWYRJBKHIN-RYRKJORJSA-N 2 2 330.472 3.250 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167394 461282984 /nfs/dbraw/zinc/28/29/84/461282984.db2.gz DMKXWWYRJBKHIN-RYRKJORJSA-N 2 2 330.472 3.250 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167394 461282995 /nfs/dbraw/zinc/28/29/95/461282995.db2.gz DMKXWWYRJBKHIN-RYRKJORJSA-N 2 2 330.472 3.250 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167394 461283007 /nfs/dbraw/zinc/28/30/07/461283007.db2.gz DMKXWWYRJBKHIN-RYRKJORJSA-N 2 2 330.472 3.250 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@H]1n1cc[nH+]c1 ZINC000638170074 461284038 /nfs/dbraw/zinc/28/40/38/461284038.db2.gz CLSZWDUIGIPHRN-IEBWSBKVSA-N 2 2 343.471 3.118 20 0 EGADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000662547023 461292456 /nfs/dbraw/zinc/29/24/56/461292456.db2.gz YLVRMDZLUSJYLV-HNNXBMFYSA-N 2 2 342.487 3.078 20 0 EGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638183597 461294205 /nfs/dbraw/zinc/29/42/05/461294205.db2.gz VAXXCLXYIAKTBB-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638183597 461294212 /nfs/dbraw/zinc/29/42/12/461294212.db2.gz VAXXCLXYIAKTBB-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638183597 461294220 /nfs/dbraw/zinc/29/42/20/461294220.db2.gz VAXXCLXYIAKTBB-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638183597 461294227 /nfs/dbraw/zinc/29/42/27/461294227.db2.gz VAXXCLXYIAKTBB-QAPCUYQASA-N 2 2 330.472 3.153 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+]CCC3CCOCC3)c(C)c2)CC1 ZINC000638186295 461297341 /nfs/dbraw/zinc/29/73/41/461297341.db2.gz PYTYCTUTABWURC-UHFFFAOYSA-N 2 2 331.504 3.366 20 0 EGADLP Cc1cc(N(C)CCC[N@H+](C)Cc2ccncc2)nc(C2CC2)[nH+]1 ZINC000641647374 461305068 /nfs/dbraw/zinc/30/50/68/461305068.db2.gz UTQPHSIGILRWDK-UHFFFAOYSA-N 2 2 325.460 3.016 20 0 EGADLP Cc1cc(N(C)CCC[N@@H+](C)Cc2ccncc2)nc(C2CC2)[nH+]1 ZINC000641647374 461305077 /nfs/dbraw/zinc/30/50/77/461305077.db2.gz UTQPHSIGILRWDK-UHFFFAOYSA-N 2 2 325.460 3.016 20 0 EGADLP CC[NH2+]CCCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000646626441 461352525 /nfs/dbraw/zinc/35/25/25/461352525.db2.gz YJPQTMHQUWIUGJ-UHFFFAOYSA-N 2 2 342.487 3.200 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@@H]1CCCn2cc[nH+]c21)Cc1ccccc1 ZINC000655688381 461363613 /nfs/dbraw/zinc/36/36/13/461363613.db2.gz YVNBSMQWRWHIMX-RTBURBONSA-N 2 2 326.488 3.261 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000655694907 461368338 /nfs/dbraw/zinc/36/83/38/461368338.db2.gz IMESWHZGJAKORG-DZGCQCFKSA-N 2 2 340.414 3.192 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698040 461370633 /nfs/dbraw/zinc/37/06/33/461370633.db2.gz UYHUKJOHLPVUDB-LJQANCHMSA-N 2 2 332.488 3.064 20 0 EGADLP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655703615 461374218 /nfs/dbraw/zinc/37/42/18/461374218.db2.gz JBUATQAUKVALEB-HNNXBMFYSA-N 2 2 328.378 3.048 20 0 EGADLP CC(C)CCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655704385 461376035 /nfs/dbraw/zinc/37/60/35/461376035.db2.gz CLYMBPHGCWHILU-HXUWFJFHSA-N 2 2 346.515 3.454 20 0 EGADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000641798193 461377250 /nfs/dbraw/zinc/37/72/50/461377250.db2.gz MJLYZBWSIPSTSO-IRXDYDNUSA-N 2 2 349.544 3.355 20 0 EGADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCC2(CCCC2)O1 ZINC000641798193 461377256 /nfs/dbraw/zinc/37/72/56/461377256.db2.gz MJLYZBWSIPSTSO-IRXDYDNUSA-N 2 2 349.544 3.355 20 0 EGADLP CCC(CC)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)on1 ZINC000655720418 461389289 /nfs/dbraw/zinc/38/92/89/461389289.db2.gz WCSWFFJLIWJYOM-KRWDZBQOSA-N 2 2 335.492 3.311 20 0 EGADLP Cc1cnc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)s1 ZINC000655720501 461389431 /nfs/dbraw/zinc/38/94/31/461389431.db2.gz YFOZHNWFWIKWLW-IAGOWNOFSA-N 2 2 335.517 3.136 20 0 EGADLP COc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000638377761 461396160 /nfs/dbraw/zinc/39/61/60/461396160.db2.gz KVILUXGZMBGPPZ-UHFFFAOYSA-N 2 2 331.485 3.214 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000655850458 461497940 /nfs/dbraw/zinc/49/79/40/461497940.db2.gz VSSFQEAGCPNHKV-NHCUHLMSSA-N 2 2 327.516 3.258 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000655850301 461498071 /nfs/dbraw/zinc/49/80/71/461498071.db2.gz UIDNJOOBWNJXSO-VXKWHMMOSA-N 2 2 341.543 3.300 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655850485 461498383 /nfs/dbraw/zinc/49/83/83/461498383.db2.gz WBFWHZXCZQNAHY-WDSOQIARSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655850485 461498388 /nfs/dbraw/zinc/49/83/88/461498388.db2.gz WBFWHZXCZQNAHY-WDSOQIARSA-N 2 2 329.488 3.319 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850311 461498677 /nfs/dbraw/zinc/49/86/77/461498677.db2.gz UORZLGVFLDSHCB-GDIGMMSISA-N 2 2 327.472 3.239 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850311 461498687 /nfs/dbraw/zinc/49/86/87/461498687.db2.gz UORZLGVFLDSHCB-GDIGMMSISA-N 2 2 327.472 3.239 20 0 EGADLP C[C@H](CC[NH2+]Cc1ccncc1Br)[NH+]1CCCCC1 ZINC000631111912 461559282 /nfs/dbraw/zinc/55/92/82/461559282.db2.gz SIUBWXPVULEAOL-CYBMUJFWSA-N 2 2 326.282 3.198 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000631113641 461561211 /nfs/dbraw/zinc/56/12/11/461561211.db2.gz IXLXECSWVSYVCW-QRWLVFNGSA-N 2 2 325.456 3.426 20 0 EGADLP COc1cc(C)c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1OC ZINC000647262712 461597790 /nfs/dbraw/zinc/59/77/90/461597790.db2.gz LTYDATDOWIOHKU-UHFFFAOYSA-N 2 2 339.439 3.301 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000643064223 461600987 /nfs/dbraw/zinc/60/09/87/461600987.db2.gz XSEYWAURSMTRHW-WBVHZDCISA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000643064223 461600995 /nfs/dbraw/zinc/60/09/95/461600995.db2.gz XSEYWAURSMTRHW-WBVHZDCISA-N 2 2 326.444 3.009 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc4ccccc4cn3)CC2)CC1 ZINC000631174227 461613648 /nfs/dbraw/zinc/61/36/48/461613648.db2.gz WTDHQNADNGGBCD-UHFFFAOYSA-N 2 2 338.499 3.230 20 0 EGADLP CO[C@@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)Cc1ccccc1 ZINC000638871501 461632462 /nfs/dbraw/zinc/63/24/62/461632462.db2.gz LWJAEADNBXGZMU-GOSISDBHSA-N 2 2 337.467 3.353 20 0 EGADLP C[N@@H+]1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000647344659 461648206 /nfs/dbraw/zinc/64/82/06/461648206.db2.gz WKDNRRSGUNOGRY-QUCCMNQESA-N 3 2 329.532 3.184 20 0 EGADLP C[N@H+]1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000647344659 461648213 /nfs/dbraw/zinc/64/82/13/461648213.db2.gz WKDNRRSGUNOGRY-QUCCMNQESA-N 3 2 329.532 3.184 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000647364897 461658343 /nfs/dbraw/zinc/65/83/43/461658343.db2.gz RCJYQGPUHLADRN-HNNXBMFYSA-N 2 2 336.439 3.494 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1O ZINC000647363805 461659417 /nfs/dbraw/zinc/65/94/17/461659417.db2.gz KQZKNFDBUNUGED-AWEZNQCLSA-N 2 2 325.412 3.250 20 0 EGADLP CCc1nocc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000660270723 461677040 /nfs/dbraw/zinc/67/70/40/461677040.db2.gz VYAFLWBPZCSTKQ-HOTGVXAUSA-N 2 2 327.472 3.483 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656256385 461680508 /nfs/dbraw/zinc/68/05/08/461680508.db2.gz ZDMZMYKKYCOUGZ-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000656256385 461680516 /nfs/dbraw/zinc/68/05/16/461680516.db2.gz ZDMZMYKKYCOUGZ-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656256385 461680522 /nfs/dbraw/zinc/68/05/22/461680522.db2.gz ZDMZMYKKYCOUGZ-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656256385 461680529 /nfs/dbraw/zinc/68/05/29/461680529.db2.gz ZDMZMYKKYCOUGZ-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000643346726 461697613 /nfs/dbraw/zinc/69/76/13/461697613.db2.gz VEXCCXVAHMNZMO-CYBMUJFWSA-N 2 2 328.859 3.111 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502066 461748706 /nfs/dbraw/zinc/74/87/06/461748706.db2.gz WZCCXALWLJQMCG-ZFWWWQNUSA-N 2 2 339.277 3.395 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000643502711 461748949 /nfs/dbraw/zinc/74/89/49/461748949.db2.gz OPIMZHDWYDVNOL-WOZUAGRISA-N 3 2 327.516 3.161 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000643502711 461748954 /nfs/dbraw/zinc/74/89/54/461748954.db2.gz OPIMZHDWYDVNOL-WOZUAGRISA-N 3 2 327.516 3.161 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140431 461757430 /nfs/dbraw/zinc/75/74/30/461757430.db2.gz XNIMISHIYRJKQP-GPCCPHFNSA-N 2 2 343.240 3.094 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140431 461757433 /nfs/dbraw/zinc/75/74/33/461757433.db2.gz XNIMISHIYRJKQP-GPCCPHFNSA-N 2 2 343.240 3.094 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000643538902 461757975 /nfs/dbraw/zinc/75/79/75/461757975.db2.gz ZOVBYCRKMNHJCZ-KWBADKCTSA-N 2 2 333.270 3.251 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000631412720 461760319 /nfs/dbraw/zinc/76/03/19/461760319.db2.gz XVAWXSUBAVPPSI-GOSISDBHSA-N 2 2 338.455 3.167 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000639179717 461784557 /nfs/dbraw/zinc/78/45/57/461784557.db2.gz UPSFPMCDNPLIGJ-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000639179717 461784562 /nfs/dbraw/zinc/78/45/62/461784562.db2.gz UPSFPMCDNPLIGJ-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000639179717 461784564 /nfs/dbraw/zinc/78/45/64/461784564.db2.gz UPSFPMCDNPLIGJ-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000639179717 461784568 /nfs/dbraw/zinc/78/45/68/461784568.db2.gz UPSFPMCDNPLIGJ-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@H](NC(=O)c1ccccc1Oc1cc[nH+]cc1)C1CC[NH+](C)CC1 ZINC000669905856 461833411 /nfs/dbraw/zinc/83/34/11/461833411.db2.gz CCFSHHNHNPNUQI-HNNXBMFYSA-N 2 2 339.439 3.334 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000660540131 461840751 /nfs/dbraw/zinc/84/07/51/461840751.db2.gz PMNMQKMYRLDPRL-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sn1 ZINC000660540131 461840758 /nfs/dbraw/zinc/84/07/58/461840758.db2.gz PMNMQKMYRLDPRL-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000660540131 461840762 /nfs/dbraw/zinc/84/07/62/461840762.db2.gz PMNMQKMYRLDPRL-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sn1 ZINC000660540131 461840768 /nfs/dbraw/zinc/84/07/68/461840768.db2.gz PMNMQKMYRLDPRL-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000647849603 461857013 /nfs/dbraw/zinc/85/70/13/461857013.db2.gz ZNWXXUXLDTZQSR-UHFFFAOYSA-N 2 2 347.846 3.351 20 0 EGADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000647849603 461857019 /nfs/dbraw/zinc/85/70/19/461857019.db2.gz ZNWXXUXLDTZQSR-UHFFFAOYSA-N 2 2 347.846 3.351 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)c1ccc(F)cc1 ZINC000647925450 461888861 /nfs/dbraw/zinc/88/88/61/461888861.db2.gz JBLTXMRYOXRTIY-QGZVFWFLSA-N 2 2 349.494 3.232 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925636 461888916 /nfs/dbraw/zinc/88/89/16/461888916.db2.gz QVJBSZWQNHTXRX-SNVBAGLBSA-N 2 2 330.259 3.134 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC000660631390 461889613 /nfs/dbraw/zinc/88/96/13/461889613.db2.gz WAVDXOYVONSSHE-HDICACEKSA-N 2 2 348.506 3.485 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC000660631390 461889622 /nfs/dbraw/zinc/88/96/22/461889622.db2.gz WAVDXOYVONSSHE-HDICACEKSA-N 2 2 348.506 3.485 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CCCC1 ZINC000656788989 461898941 /nfs/dbraw/zinc/89/89/41/461898941.db2.gz HRDWAROKVIJVJP-UHFFFAOYSA-N 2 2 349.276 3.200 20 0 EGADLP CCOc1c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(C)nn1CC(C)C ZINC000666998236 461905996 /nfs/dbraw/zinc/90/59/96/461905996.db2.gz IZPLIJZMFRMCOR-INIZCTEOSA-N 2 2 334.508 3.011 20 0 EGADLP FC(F)C(F)(F)COCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675674 461920614 /nfs/dbraw/zinc/92/06/14/461920614.db2.gz KBJZMZRVPOOPMT-UHFFFAOYSA-N 2 2 348.384 3.158 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000667057096 461930869 /nfs/dbraw/zinc/93/08/69/461930869.db2.gz VBTGWXINDUSBEV-QGZVFWFLSA-N 3 2 343.540 3.262 20 0 EGADLP Cc1nc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c(C)[nH+]1 ZINC000664078118 461935131 /nfs/dbraw/zinc/93/51/31/461935131.db2.gz NPOAQRJVECAHDA-OLZOCXBDSA-N 2 2 339.281 3.285 20 0 EGADLP Cc1nc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(Br)c(C)[nH+]1 ZINC000664078118 461935138 /nfs/dbraw/zinc/93/51/38/461935138.db2.gz NPOAQRJVECAHDA-OLZOCXBDSA-N 2 2 339.281 3.285 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011460 461941855 /nfs/dbraw/zinc/94/18/55/461941855.db2.gz RTGUJFJCJYTCLK-MRXNPFEDSA-N 2 2 330.476 3.152 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011460 461941862 /nfs/dbraw/zinc/94/18/62/461941862.db2.gz RTGUJFJCJYTCLK-MRXNPFEDSA-N 2 2 330.476 3.152 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011460 461941866 /nfs/dbraw/zinc/94/18/66/461941866.db2.gz RTGUJFJCJYTCLK-MRXNPFEDSA-N 2 2 330.476 3.152 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648011460 461941876 /nfs/dbraw/zinc/94/18/76/461941876.db2.gz RTGUJFJCJYTCLK-MRXNPFEDSA-N 2 2 330.476 3.152 20 0 EGADLP c1c[nH+]c(N2CCCC2)c(CNc2cc[nH+]c(N3CCCCC3)n2)c1 ZINC000664190997 461974240 /nfs/dbraw/zinc/97/42/40/461974240.db2.gz BNPISVQDBPCLCI-UHFFFAOYSA-N 2 2 338.459 3.074 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000644569498 461989906 /nfs/dbraw/zinc/98/99/06/461989906.db2.gz TTXSVLVDFFGCPQ-IAGOWNOFSA-N 2 2 344.421 3.073 20 0 EGADLP CSc1cc(C)ccc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644588067 461998381 /nfs/dbraw/zinc/99/83/81/461998381.db2.gz GLJWHBWSORMNFH-IBGZPJMESA-N 2 2 344.524 3.299 20 0 EGADLP CSc1cc(C)ccc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644588067 461998386 /nfs/dbraw/zinc/99/83/86/461998386.db2.gz GLJWHBWSORMNFH-IBGZPJMESA-N 2 2 344.524 3.299 20 0 EGADLP O[C@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)CC(F)(F)F ZINC000660857621 461998466 /nfs/dbraw/zinc/99/84/66/461998466.db2.gz SZPLMTFMHBGRSI-ZDUSSCGKSA-N 2 2 341.377 3.131 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC3CC(F)(F)C3)c2cc1C ZINC000644666740 462030079 /nfs/dbraw/zinc/03/00/79/462030079.db2.gz UINFDJONPCMDCA-OAHLLOKOSA-N 2 2 337.414 3.039 20 0 EGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000657313712 462038640 /nfs/dbraw/zinc/03/86/40/462038640.db2.gz WCTBAESRFNQNGW-HZPDHXFCSA-N 2 2 326.488 3.486 20 0 EGADLP CC1CCC(Oc2cc(C[NH2+]Cc3c[nH+]c4n3CCC4)ccn2)CC1 ZINC000657365237 462074866 /nfs/dbraw/zinc/07/48/66/462074866.db2.gz AIXSXORCCTUQDU-UHFFFAOYSA-N 2 2 340.471 3.472 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000648400871 462101349 /nfs/dbraw/zinc/10/13/49/462101349.db2.gz FTZHVAKXNIBAGY-QWFCFKBJSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1[nH]c(CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]c1C ZINC000657405978 462102112 /nfs/dbraw/zinc/10/21/12/462102112.db2.gz YVWGAZFZIFDUQA-OKILXGFUSA-N 2 2 328.460 3.248 20 0 EGADLP Cc1[nH]c(CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]c1C ZINC000657405978 462102118 /nfs/dbraw/zinc/10/21/18/462102118.db2.gz YVWGAZFZIFDUQA-OKILXGFUSA-N 2 2 328.460 3.248 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1C ZINC000644900967 462125124 /nfs/dbraw/zinc/12/51/24/462125124.db2.gz WRVMMTTZNOVUNU-INIZCTEOSA-N 2 2 337.471 3.347 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1C ZINC000644900967 462125128 /nfs/dbraw/zinc/12/51/28/462125128.db2.gz WRVMMTTZNOVUNU-INIZCTEOSA-N 2 2 337.471 3.347 20 0 EGADLP COCC1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000648462595 462130702 /nfs/dbraw/zinc/13/07/02/462130702.db2.gz PSUFLLVLSPHBMC-NKELODKYSA-N 2 2 327.472 3.499 20 0 EGADLP OCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000657464505 462139761 /nfs/dbraw/zinc/13/97/61/462139761.db2.gz OTAUJRIMTUWMFX-OAHLLOKOSA-N 2 2 340.254 3.349 20 0 EGADLP C[N@@H+](Cc1ccnn1CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620923 462177858 /nfs/dbraw/zinc/17/78/58/462177858.db2.gz UPAYTSOJCJRWPM-FQEVSTJZSA-N 2 2 338.499 3.247 20 0 EGADLP C[N@H+](Cc1ccnn1CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620923 462177862 /nfs/dbraw/zinc/17/78/62/462177862.db2.gz UPAYTSOJCJRWPM-FQEVSTJZSA-N 2 2 338.499 3.247 20 0 EGADLP C[NH+](Cc1ccnn1CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620923 462177867 /nfs/dbraw/zinc/17/78/67/462177867.db2.gz UPAYTSOJCJRWPM-FQEVSTJZSA-N 2 2 338.499 3.247 20 0 EGADLP C[NH+](Cc1ccnn1CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620923 462177869 /nfs/dbraw/zinc/17/78/69/462177869.db2.gz UPAYTSOJCJRWPM-FQEVSTJZSA-N 2 2 338.499 3.247 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000657587902 462193600 /nfs/dbraw/zinc/19/36/00/462193600.db2.gz ZSTPSJVPOBYURW-OAHLLOKOSA-N 2 2 331.382 3.127 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750738 462252482 /nfs/dbraw/zinc/25/24/82/462252482.db2.gz CCYQZOKYGOHBFS-KRWDZBQOSA-N 2 2 342.439 3.415 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657823723 462284299 /nfs/dbraw/zinc/28/42/99/462284299.db2.gz AKAZRUKCUJAQQO-HOCLYGCPSA-N 2 2 333.501 3.304 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cc3ccncc3s2)C1 ZINC000657823723 462284305 /nfs/dbraw/zinc/28/43/05/462284305.db2.gz AKAZRUKCUJAQQO-HOCLYGCPSA-N 2 2 333.501 3.304 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cnnn1-c1ccccc1)c1ccccc1 ZINC000651711206 462312428 /nfs/dbraw/zinc/31/24/28/462312428.db2.gz BSNXFHNKFIVFNP-KRWDZBQOSA-N 2 2 349.482 3.486 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000651810856 462345692 /nfs/dbraw/zinc/34/56/92/462345692.db2.gz DLFKJGGUGMNTBL-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000651810856 462345694 /nfs/dbraw/zinc/34/56/94/462345694.db2.gz DLFKJGGUGMNTBL-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000651810856 462345697 /nfs/dbraw/zinc/34/56/97/462345697.db2.gz DLFKJGGUGMNTBL-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000651810856 462345698 /nfs/dbraw/zinc/34/56/98/462345698.db2.gz DLFKJGGUGMNTBL-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236110 462363130 /nfs/dbraw/zinc/36/31/30/462363130.db2.gz HMSRBBNLVRJYPH-UXHICEINSA-N 2 2 336.483 3.265 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000665258849 462373261 /nfs/dbraw/zinc/37/32/61/462373261.db2.gz NFRPTMWUUSEMQN-FHWLQOOXSA-N 2 2 325.431 3.333 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089860 462378748 /nfs/dbraw/zinc/37/87/48/462378748.db2.gz BJPGIHOEMDOIBR-WBVHZDCISA-N 2 2 331.504 3.429 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089860 462378750 /nfs/dbraw/zinc/37/87/50/462378750.db2.gz BJPGIHOEMDOIBR-WBVHZDCISA-N 2 2 331.504 3.429 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000652154932 462454722 /nfs/dbraw/zinc/45/47/22/462454722.db2.gz RXRGBIXNXFZSHT-VPWXQRGCSA-N 2 2 325.456 3.252 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccn2)cc1 ZINC000652154932 462454724 /nfs/dbraw/zinc/45/47/24/462454724.db2.gz RXRGBIXNXFZSHT-VPWXQRGCSA-N 2 2 325.456 3.252 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000658294806 462461830 /nfs/dbraw/zinc/46/18/30/462461830.db2.gz PLBFJVMFHRBIFT-CJNGLKHVSA-N 2 2 338.492 3.452 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296267 462462685 /nfs/dbraw/zinc/46/26/85/462462685.db2.gz RJIZPDZINWIUDA-SUMWQHHRSA-N 2 2 340.870 3.253 20 0 EGADLP CCc1cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000649275929 462465365 /nfs/dbraw/zinc/46/53/65/462465365.db2.gz NKFZBDYEJJOBBV-IBGZPJMESA-N 2 2 345.874 3.153 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000658313785 462474034 /nfs/dbraw/zinc/47/40/34/462474034.db2.gz FSYZMDCAKFIYMI-NSISKUIASA-N 2 2 331.504 3.087 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000658313785 462474040 /nfs/dbraw/zinc/47/40/40/462474040.db2.gz FSYZMDCAKFIYMI-NSISKUIASA-N 2 2 331.504 3.087 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649311531 462476231 /nfs/dbraw/zinc/47/62/31/462476231.db2.gz XSRNAPQTICBZLJ-OAHLLOKOSA-N 2 2 333.338 3.057 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000658354941 462489104 /nfs/dbraw/zinc/48/91/04/462489104.db2.gz DFJDWEBCQUKUGB-PBHICJAKSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@H](C)C1 ZINC000658354941 462489109 /nfs/dbraw/zinc/48/91/09/462489109.db2.gz DFJDWEBCQUKUGB-PBHICJAKSA-N 2 2 329.444 3.170 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000163865562 533809609 /nfs/dbraw/zinc/80/96/09/533809609.db2.gz JMVLRCURLFZPFP-AWEZNQCLSA-N 2 2 332.879 3.389 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@H+](C)C1CC1 ZINC000130716174 534054760 /nfs/dbraw/zinc/05/47/60/534054760.db2.gz XCPONSVOAPMYJE-AWEZNQCLSA-N 2 2 349.906 3.017 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[N@@H+](C)C1CC1 ZINC000130716174 534054768 /nfs/dbraw/zinc/05/47/68/534054768.db2.gz XCPONSVOAPMYJE-AWEZNQCLSA-N 2 2 349.906 3.017 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cnc21 ZINC000129509508 528661771 /nfs/dbraw/zinc/66/17/71/528661771.db2.gz XCHGPCXXVKKGJC-QAPCUYQASA-N 2 2 338.459 3.292 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cnc21 ZINC000129509508 528661775 /nfs/dbraw/zinc/66/17/75/528661775.db2.gz XCHGPCXXVKKGJC-QAPCUYQASA-N 2 2 338.459 3.292 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000351817560 535504949 /nfs/dbraw/zinc/50/49/49/535504949.db2.gz WUQURMKZSMLCCR-UHFFFAOYSA-N 2 2 328.460 3.066 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000348174617 535550458 /nfs/dbraw/zinc/55/04/58/535550458.db2.gz WLWODNIAEXSYPI-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000348174617 535550465 /nfs/dbraw/zinc/55/04/65/535550465.db2.gz WLWODNIAEXSYPI-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)C1(C(=O)OC)CCC1 ZINC000353339735 535919801 /nfs/dbraw/zinc/91/98/01/535919801.db2.gz YPCAWVKYDHANSS-SFHVURJKSA-N 2 2 341.455 3.143 20 0 EGADLP C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353440677 536328221 /nfs/dbraw/zinc/32/82/21/536328221.db2.gz ZXJKRULXRPMXON-UHFFFAOYSA-N 2 2 329.444 3.426 20 0 EGADLP C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353440677 536328223 /nfs/dbraw/zinc/32/82/23/536328223.db2.gz ZXJKRULXRPMXON-UHFFFAOYSA-N 2 2 329.444 3.426 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011366 536464596 /nfs/dbraw/zinc/46/45/96/536464596.db2.gz WRCKVCWWXHWSEN-BEFAXECRSA-N 2 2 333.907 3.466 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011366 536464599 /nfs/dbraw/zinc/46/45/99/536464599.db2.gz WRCKVCWWXHWSEN-BEFAXECRSA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011366 536464601 /nfs/dbraw/zinc/46/46/01/536464601.db2.gz WRCKVCWWXHWSEN-BEFAXECRSA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)[C@H]2C1 ZINC000353011366 536464603 /nfs/dbraw/zinc/46/46/03/536464603.db2.gz WRCKVCWWXHWSEN-BEFAXECRSA-N 2 2 333.907 3.466 20 0 EGADLP COC(=O)c1cc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cn1C ZINC000348017243 536885800 /nfs/dbraw/zinc/88/58/00/536885800.db2.gz VGJXYZLZIBKKSD-OAHLLOKOSA-N 2 2 343.471 3.031 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)[nH+]c12 ZINC000156349734 546910104 /nfs/dbraw/zinc/91/01/04/546910104.db2.gz IGENEDHWYWYPDU-INIZCTEOSA-N 2 2 346.438 3.117 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000156678419 546913513 /nfs/dbraw/zinc/91/35/13/546913513.db2.gz FPZSFQRKTRWBNW-UWJYYQICSA-N 3 2 345.531 3.152 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000165397738 546986467 /nfs/dbraw/zinc/98/64/67/546986467.db2.gz BEYACANFCTVCFN-INIZCTEOSA-N 3 2 333.495 3.110 20 0 EGADLP COc1ccc2[nH+]c(N3CCC(OCCC[NH+](C)C)CC3)ccc2c1 ZINC000176815273 547021837 /nfs/dbraw/zinc/02/18/37/547021837.db2.gz WEYXCIWCVWDSJO-UHFFFAOYSA-N 2 2 343.471 3.181 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000221155576 547243318 /nfs/dbraw/zinc/24/33/18/547243318.db2.gz RQDVLLQUQXVXFQ-LBPRGKRZSA-N 2 2 349.219 3.234 20 0 EGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000221155576 547243324 /nfs/dbraw/zinc/24/33/24/547243324.db2.gz RQDVLLQUQXVXFQ-LBPRGKRZSA-N 2 2 349.219 3.234 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000286216986 547392326 /nfs/dbraw/zinc/39/23/26/547392326.db2.gz FJXVIFXYEPRDPQ-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000286216986 547392332 /nfs/dbraw/zinc/39/23/32/547392332.db2.gz FJXVIFXYEPRDPQ-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286216986 547392335 /nfs/dbraw/zinc/39/23/35/547392335.db2.gz FJXVIFXYEPRDPQ-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286216986 547392340 /nfs/dbraw/zinc/39/23/40/547392340.db2.gz FJXVIFXYEPRDPQ-KRWDZBQOSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000339068717 547569275 /nfs/dbraw/zinc/56/92/75/547569275.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000339068717 547569278 /nfs/dbraw/zinc/56/92/78/547569278.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068717 547569282 /nfs/dbraw/zinc/56/92/82/547569282.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068717 547569285 /nfs/dbraw/zinc/56/92/85/547569285.db2.gz SVXRVTPEXGSAGL-WLRLJWMZSA-N 3 2 327.516 3.256 20 0 EGADLP Brc1cscc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000352750118 547686818 /nfs/dbraw/zinc/68/68/18/547686818.db2.gz PPHVOQNTOFUROQ-UHFFFAOYSA-N 2 2 326.263 3.497 20 0 EGADLP CCc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)nc(C)[nH+]1 ZINC000359720572 547753383 /nfs/dbraw/zinc/75/33/83/547753383.db2.gz CHPBYLWRVTZUSS-IBGZPJMESA-N 2 2 340.471 3.141 20 0 EGADLP COc1ccc(OCc2nc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414924033 547861757 /nfs/dbraw/zinc/86/17/57/547861757.db2.gz JIEUCTYBMJXWLL-KBPBESRZSA-N 2 2 347.484 3.090 20 0 EGADLP CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420916750 547879150 /nfs/dbraw/zinc/87/91/50/547879150.db2.gz PJOMZWRFYVEILV-OAQYLSRUSA-N 2 2 346.515 3.156 20 0 EGADLP CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420916750 547879156 /nfs/dbraw/zinc/87/91/56/547879156.db2.gz PJOMZWRFYVEILV-OAQYLSRUSA-N 2 2 346.515 3.156 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC1 ZINC000670380348 548205048 /nfs/dbraw/zinc/20/50/48/548205048.db2.gz AJXJFGQZVPQRAT-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CC1 ZINC000670380348 548205051 /nfs/dbraw/zinc/20/50/51/548205051.db2.gz AJXJFGQZVPQRAT-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000676478138 549095451 /nfs/dbraw/zinc/09/54/51/549095451.db2.gz MIFZVKUMDIJDHZ-AZRLCKCBSA-N 2 2 327.472 3.306 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000676478138 549095453 /nfs/dbraw/zinc/09/54/53/549095453.db2.gz MIFZVKUMDIJDHZ-AZRLCKCBSA-N 2 2 327.472 3.306 20 0 EGADLP CN(C(=O)C[C@H]1CCCCC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676883441 549172506 /nfs/dbraw/zinc/17/25/06/549172506.db2.gz OVZUPACRCOJJDP-MJGOQNOKSA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)C[C@H]1CCCCC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676883441 549172509 /nfs/dbraw/zinc/17/25/09/549172509.db2.gz OVZUPACRCOJJDP-MJGOQNOKSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1 ZINC000678081843 549393008 /nfs/dbraw/zinc/39/30/08/549393008.db2.gz HSFJIDVOTAGHDT-HKUYNNGSSA-N 2 2 343.515 3.087 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1 ZINC000678081843 549393011 /nfs/dbraw/zinc/39/30/11/549393011.db2.gz HSFJIDVOTAGHDT-HKUYNNGSSA-N 2 2 343.515 3.087 20 0 EGADLP Cc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(C)c[nH+]1 ZINC000678097107 549395488 /nfs/dbraw/zinc/39/54/88/549395488.db2.gz QASQKQJQWNJQDZ-UHFFFAOYSA-N 2 2 344.503 3.240 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000678234229 549436227 /nfs/dbraw/zinc/43/62/27/549436227.db2.gz ARGHJMXCSSNBJR-RHSMWYFYSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000678234229 549436229 /nfs/dbraw/zinc/43/62/29/549436229.db2.gz ARGHJMXCSSNBJR-RHSMWYFYSA-N 2 2 327.428 3.052 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)c[nH+]1 ZINC000678235981 549437921 /nfs/dbraw/zinc/43/79/21/549437921.db2.gz SFMBWKMXDZPFBN-KRWDZBQOSA-N 2 2 335.411 3.303 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)c[nH+]1 ZINC000678235981 549437925 /nfs/dbraw/zinc/43/79/25/549437925.db2.gz SFMBWKMXDZPFBN-KRWDZBQOSA-N 2 2 335.411 3.303 20 0 EGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678770560 549557892 /nfs/dbraw/zinc/55/78/92/549557892.db2.gz HEYRUHNPDIYLJV-WIYYLYMNSA-N 2 2 326.484 3.447 20 0 EGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678770560 549557897 /nfs/dbraw/zinc/55/78/97/549557897.db2.gz HEYRUHNPDIYLJV-WIYYLYMNSA-N 2 2 326.484 3.447 20 0 EGADLP C[C@H]([NH2+]Cc1csc(N(C)C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679627507 549742764 /nfs/dbraw/zinc/74/27/64/549742764.db2.gz NXBPHFAZZDPIMK-DOTOQJQBSA-N 2 2 344.528 3.209 20 0 EGADLP C[C@H]([NH2+]Cc1csc(N(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679627507 549742765 /nfs/dbraw/zinc/74/27/65/549742765.db2.gz NXBPHFAZZDPIMK-DOTOQJQBSA-N 2 2 344.528 3.209 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000680040387 549809651 /nfs/dbraw/zinc/80/96/51/549809651.db2.gz YXDJHCKBQUKLTR-KLIQENQMSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000680040387 549809655 /nfs/dbraw/zinc/80/96/55/549809655.db2.gz YXDJHCKBQUKLTR-KLIQENQMSA-N 2 2 340.471 3.329 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680397650 549862105 /nfs/dbraw/zinc/86/21/05/549862105.db2.gz VLIUIYLARWPKEM-WMZOPIPTSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680397650 549862107 /nfs/dbraw/zinc/86/21/07/549862107.db2.gz VLIUIYLARWPKEM-WMZOPIPTSA-N 2 2 337.552 3.076 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2c1 ZINC000681402717 549993009 /nfs/dbraw/zinc/99/30/09/549993009.db2.gz RRXHWDVWODAWBY-CYBMUJFWSA-N 2 2 328.441 3.339 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2c1 ZINC000681402717 549993012 /nfs/dbraw/zinc/99/30/12/549993012.db2.gz RRXHWDVWODAWBY-CYBMUJFWSA-N 2 2 328.441 3.339 20 0 EGADLP FC(F)Oc1cccc(Cl)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000681699257 550028124 /nfs/dbraw/zinc/02/81/24/550028124.db2.gz SGSFPAWFGQVTQO-SNVBAGLBSA-N 2 2 327.762 3.243 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000683726682 550255377 /nfs/dbraw/zinc/25/53/77/550255377.db2.gz KEOUBBSTIOCOTL-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP C[N@H+](Cc1cc2ccccc2[nH]1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000684025660 550283222 /nfs/dbraw/zinc/28/32/22/550283222.db2.gz QYZYVHAXKQLAEE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000684025660 550283223 /nfs/dbraw/zinc/28/32/23/550283223.db2.gz QYZYVHAXKQLAEE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1cc2ccccc2[nH]1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000684025660 550283225 /nfs/dbraw/zinc/28/32/25/550283225.db2.gz QYZYVHAXKQLAEE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[NH+](Cc1cc2ccccc2[nH]1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000684025660 550283226 /nfs/dbraw/zinc/28/32/26/550283226.db2.gz QYZYVHAXKQLAEE-QFIPXVFZSA-N 2 2 349.478 3.237 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000727465561 574669542 /nfs/dbraw/zinc/66/95/42/574669542.db2.gz BSADHHWJPKAGBN-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000727465561 574669543 /nfs/dbraw/zinc/66/95/43/574669543.db2.gz BSADHHWJPKAGBN-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000729682712 574878778 /nfs/dbraw/zinc/87/87/78/574878778.db2.gz ZYTDGIISMSMXAP-IBGZPJMESA-N 2 2 332.451 3.333 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000729682712 574878779 /nfs/dbraw/zinc/87/87/79/574878779.db2.gz ZYTDGIISMSMXAP-IBGZPJMESA-N 2 2 332.451 3.333 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000731032802 575047752 /nfs/dbraw/zinc/04/77/52/575047752.db2.gz PEEWIPXLKUSJHS-RTBURBONSA-N 2 2 342.483 3.042 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000731032802 575047755 /nfs/dbraw/zinc/04/77/55/575047755.db2.gz PEEWIPXLKUSJHS-RTBURBONSA-N 2 2 342.483 3.042 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1F ZINC000731452440 575074985 /nfs/dbraw/zinc/07/49/85/575074985.db2.gz YNSZKSJPVSEJTN-GOSISDBHSA-N 2 2 347.340 3.113 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882091 576633196 /nfs/dbraw/zinc/63/31/96/576633196.db2.gz GEZONRPWZAKNQG-IUODEOHRSA-N 2 2 349.910 3.235 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882091 576633197 /nfs/dbraw/zinc/63/31/97/576633197.db2.gz GEZONRPWZAKNQG-IUODEOHRSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882091 576633199 /nfs/dbraw/zinc/63/31/99/576633199.db2.gz GEZONRPWZAKNQG-IUODEOHRSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882091 576633202 /nfs/dbraw/zinc/63/32/02/576633202.db2.gz GEZONRPWZAKNQG-IUODEOHRSA-N 2 2 349.910 3.235 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000742374636 576775502 /nfs/dbraw/zinc/77/55/02/576775502.db2.gz AUJIKMQOGCHJAG-HIFRSBDPSA-N 2 2 332.879 3.313 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000742374636 576775503 /nfs/dbraw/zinc/77/55/03/576775503.db2.gz AUJIKMQOGCHJAG-HIFRSBDPSA-N 2 2 332.879 3.313 20 0 EGADLP Cc1nc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cs1 ZINC000742378831 576776314 /nfs/dbraw/zinc/77/63/14/576776314.db2.gz ZTMKZXLBRDYPCK-UHFFFAOYSA-N 2 2 330.501 3.276 20 0 EGADLP c1cc(N2CCCC2)nc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000742392444 576778584 /nfs/dbraw/zinc/77/85/84/576778584.db2.gz LGJVVWDOQFNYOD-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000743262568 576804645 /nfs/dbraw/zinc/80/46/45/576804645.db2.gz QKEMBLQLXMTTIH-NRFANRHFSA-N 2 2 342.458 3.422 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Cl)nc3)[nH+]c2)CC1 ZINC000769409457 1303108354 /nfs/dbraw/zinc/10/83/54/1303108354.db2.gz CVTZAEMNPSAGLQ-UHFFFAOYSA-N 2 2 345.878 3.273 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)o1 ZINC000037156337 1291398889 /nfs/dbraw/zinc/39/88/89/1291398889.db2.gz DJAFLFFDDRQZCZ-LBPRGKRZSA-N 2 2 326.238 3.443 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054152909 1291744180 /nfs/dbraw/zinc/74/41/80/1291744180.db2.gz BTFCVRIQQHNQSZ-OAHLLOKOSA-N 2 2 335.407 3.494 20 0 EGADLP COc1ccc(C)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000069747658 1292249623 /nfs/dbraw/zinc/24/96/23/1292249623.db2.gz SBGCDUXIJYCEAV-UHFFFAOYSA-N 2 2 340.467 3.126 20 0 EGADLP Cc1cc(C[NH2+]CC[NH+]2CCCC2)cc(C)c1OCc1ccccn1 ZINC000078876726 1292531721 /nfs/dbraw/zinc/53/17/21/1292531721.db2.gz OYJNIOMOYXXLIB-UHFFFAOYSA-N 2 2 339.483 3.463 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000079000504 1292539654 /nfs/dbraw/zinc/53/96/54/1292539654.db2.gz NADZRPQNJQRNRW-GOSISDBHSA-N 2 2 347.459 3.113 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@]1(O)CCc2ccccc21 ZINC000829358859 1292566162 /nfs/dbraw/zinc/56/61/62/1292566162.db2.gz OHBGFQPWLHKLBY-NRFANRHFSA-N 2 2 333.435 3.138 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@]1(O)CCc2ccccc21 ZINC000829358859 1292566172 /nfs/dbraw/zinc/56/61/72/1292566172.db2.gz OHBGFQPWLHKLBY-NRFANRHFSA-N 2 2 333.435 3.138 20 0 EGADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090004328 1292783659 /nfs/dbraw/zinc/78/36/59/1292783659.db2.gz GLPIHFFUNCVPHS-SFHVURJKSA-N 2 2 327.472 3.370 20 0 EGADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090004328 1292783668 /nfs/dbraw/zinc/78/36/68/1292783668.db2.gz GLPIHFFUNCVPHS-SFHVURJKSA-N 2 2 327.472 3.370 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000834789219 1293148866 /nfs/dbraw/zinc/14/88/66/1293148866.db2.gz AUIYKLYEJSNICE-YLJYHZDGSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000834789219 1293148871 /nfs/dbraw/zinc/14/88/71/1293148871.db2.gz AUIYKLYEJSNICE-YLJYHZDGSA-N 2 2 326.488 3.466 20 0 EGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119632674 1293280814 /nfs/dbraw/zinc/28/08/14/1293280814.db2.gz LLMSKFAQBUYZRQ-MSOLQXFVSA-N 2 2 340.870 3.337 20 0 EGADLP CCn1cc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000122345106 1293408757 /nfs/dbraw/zinc/40/87/57/1293408757.db2.gz MMEARZLSXZFKKG-INIZCTEOSA-N 2 2 341.503 3.289 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1O ZINC000131129591 1293680020 /nfs/dbraw/zinc/68/00/20/1293680020.db2.gz OVXVAGAVWRTYRH-OAHLLOKOSA-N 2 2 341.455 3.111 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ncccc2C(F)(F)F)cn1 ZINC000152213130 1293959032 /nfs/dbraw/zinc/95/90/32/1293959032.db2.gz VFTNXUPHSXKRIB-UHFFFAOYSA-N 2 2 347.344 3.279 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC000155265754 1294090676 /nfs/dbraw/zinc/09/06/76/1294090676.db2.gz NREQCIKISNHEQK-UHFFFAOYSA-N 2 2 339.483 3.390 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc(Cl)cn1 ZINC000173511809 1294464765 /nfs/dbraw/zinc/46/47/65/1294464765.db2.gz VSYQKFLVXSUAMJ-UHFFFAOYSA-N 2 2 333.867 3.128 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc(Cl)cn1 ZINC000173511809 1294464767 /nfs/dbraw/zinc/46/47/67/1294464767.db2.gz VSYQKFLVXSUAMJ-UHFFFAOYSA-N 2 2 333.867 3.128 20 0 EGADLP CC(C)C[C@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000174028091 1294476964 /nfs/dbraw/zinc/47/69/64/1294476964.db2.gz HPVRXJUNHLFGSG-OFLPRAFFSA-N 2 2 341.540 3.388 20 0 EGADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000180642766 1294905127 /nfs/dbraw/zinc/90/51/27/1294905127.db2.gz LMNUNMKMNBMHFD-CQSZACIVSA-N 2 2 327.476 3.104 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182715944 1295068552 /nfs/dbraw/zinc/06/85/52/1295068552.db2.gz CRQIUOQOHRUCQA-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000182725154 1295070108 /nfs/dbraw/zinc/07/01/08/1295070108.db2.gz PVNXCMSSYYFOOZ-QGZVFWFLSA-N 2 2 339.524 3.098 20 0 EGADLP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(Cl)c1OC ZINC000237126502 1296221107 /nfs/dbraw/zinc/22/11/07/1296221107.db2.gz XTPZGWIIKPNMNU-UHFFFAOYSA-N 2 2 326.868 3.323 20 0 EGADLP COc1cc2c(c(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)c1)O[C@H](C)C2 ZINC000237336803 1296237817 /nfs/dbraw/zinc/23/78/17/1296237817.db2.gz YGCIEHQNNGRXRB-CQSZACIVSA-N 2 2 332.488 3.371 20 0 EGADLP COc1cc2c(c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c1)O[C@@H](C)C2 ZINC000237411768 1296241090 /nfs/dbraw/zinc/24/10/90/1296241090.db2.gz UZGOFKXASSQCBS-HNNXBMFYSA-N 2 2 349.434 3.494 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538137 1296594347 /nfs/dbraw/zinc/59/43/47/1296594347.db2.gz FLMVYEGTOHRYBY-QHAWAJNXSA-N 3 2 327.516 3.161 20 0 EGADLP Fc1cccc(-c2ccn(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000872582680 1297013664 /nfs/dbraw/zinc/01/36/64/1297013664.db2.gz ZQSJUKPBALJTGH-KRWDZBQOSA-N 2 2 325.391 3.180 20 0 EGADLP Fc1cccc(-c2ccn(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000872582680 1297013681 /nfs/dbraw/zinc/01/36/81/1297013681.db2.gz ZQSJUKPBALJTGH-KRWDZBQOSA-N 2 2 325.391 3.180 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309991899 1297080129 /nfs/dbraw/zinc/08/01/29/1297080129.db2.gz DUYPKZLAHIPRGZ-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000326341467 1297234887 /nfs/dbraw/zinc/23/48/87/1297234887.db2.gz RZEQEFUOMVEJTP-DOTOQJQBSA-N 2 2 328.460 3.305 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c(C)c[nH+]1 ZINC000873314341 1297428079 /nfs/dbraw/zinc/42/80/79/1297428079.db2.gz NFHTXWITHDDZTK-SJLPKXTDSA-N 2 2 344.503 3.272 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000382381640 1297558151 /nfs/dbraw/zinc/55/81/51/1297558151.db2.gz FMDOXKAHFPRIRS-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000382381640 1297558157 /nfs/dbraw/zinc/55/81/57/1297558157.db2.gz FMDOXKAHFPRIRS-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000392071849 1297650357 /nfs/dbraw/zinc/65/03/57/1297650357.db2.gz WCXGMOQUFIOHTL-HQRMLTQVSA-N 2 2 332.488 3.235 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000392071849 1297650365 /nfs/dbraw/zinc/65/03/65/1297650365.db2.gz WCXGMOQUFIOHTL-HQRMLTQVSA-N 2 2 332.488 3.235 20 0 EGADLP C/C=C(/CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000588573637 1298086063 /nfs/dbraw/zinc/08/60/63/1298086063.db2.gz NIPFOVVXVRTFSS-YIDKXPIOSA-N 2 2 335.536 3.138 20 0 EGADLP C/C=C(/CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000588573637 1298086070 /nfs/dbraw/zinc/08/60/70/1298086070.db2.gz NIPFOVVXVRTFSS-YIDKXPIOSA-N 2 2 335.536 3.138 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1Cl ZINC000708551673 1298243284 /nfs/dbraw/zinc/24/32/84/1298243284.db2.gz RFBFCNKDHFIWHM-PBHICJAKSA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1Cl ZINC000708551673 1298243297 /nfs/dbraw/zinc/24/32/97/1298243297.db2.gz RFBFCNKDHFIWHM-PBHICJAKSA-N 2 2 346.906 3.240 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000724030523 1298345408 /nfs/dbraw/zinc/34/54/08/1298345408.db2.gz UCASZODWSJYCTF-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651734 1298631792 /nfs/dbraw/zinc/63/17/92/1298631792.db2.gz JCPPLVISXGFYNE-CJNGLKHVSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746651734 1298631799 /nfs/dbraw/zinc/63/17/99/1298631799.db2.gz JCPPLVISXGFYNE-CJNGLKHVSA-N 2 2 330.394 3.155 20 0 EGADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000876988887 1299102289 /nfs/dbraw/zinc/10/22/89/1299102289.db2.gz MAORHNUXSLMUFK-ZDUSSCGKSA-N 2 2 336.892 3.193 20 0 EGADLP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000876988887 1299102297 /nfs/dbraw/zinc/10/22/97/1299102297.db2.gz MAORHNUXSLMUFK-ZDUSSCGKSA-N 2 2 336.892 3.193 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742621 1299518597 /nfs/dbraw/zinc/51/85/97/1299518597.db2.gz FQYGMBQIZKSZAE-QUCCMNQESA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742621 1299518599 /nfs/dbraw/zinc/51/85/99/1299518599.db2.gz FQYGMBQIZKSZAE-QUCCMNQESA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742621 1299518600 /nfs/dbraw/zinc/51/86/00/1299518600.db2.gz FQYGMBQIZKSZAE-QUCCMNQESA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742621 1299518604 /nfs/dbraw/zinc/51/86/04/1299518604.db2.gz FQYGMBQIZKSZAE-QUCCMNQESA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CCN(C2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000877747238 1299525584 /nfs/dbraw/zinc/52/55/84/1299525584.db2.gz DGFJOGDGFUMOFU-UHFFFAOYSA-N 2 2 348.560 3.013 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172310 1299793654 /nfs/dbraw/zinc/79/36/54/1299793654.db2.gz GFSDKAGAQVPJHB-LJQANCHMSA-N 2 2 340.471 3.270 20 0 EGADLP CCC/C=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215936 1300301713 /nfs/dbraw/zinc/30/17/13/1300301713.db2.gz YVSVLWCDQOCPMZ-DPRHATBUSA-N 2 2 335.536 3.138 20 0 EGADLP CCC/C=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215936 1300301722 /nfs/dbraw/zinc/30/17/22/1300301722.db2.gz YVSVLWCDQOCPMZ-DPRHATBUSA-N 2 2 335.536 3.138 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277725 1301019240 /nfs/dbraw/zinc/01/92/40/1301019240.db2.gz ONOOZMOOVVCZQN-SFHVURJKSA-N 2 2 335.455 3.461 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277725 1301019251 /nfs/dbraw/zinc/01/92/51/1301019251.db2.gz ONOOZMOOVVCZQN-SFHVURJKSA-N 2 2 335.455 3.461 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1-n1cc[nH+]c1 ZINC000762619386 1301715865 /nfs/dbraw/zinc/71/58/65/1301715865.db2.gz YRRLVHKSLLXNPO-OIISXLGYSA-N 2 2 349.500 3.481 20 0 EGADLP CC[C@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)[NH+](CC)CC ZINC000763975815 1301993665 /nfs/dbraw/zinc/99/36/65/1301993665.db2.gz OHTXKOITTWUIRC-CQSZACIVSA-N 2 2 326.510 3.044 20 0 EGADLP O=c1oc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2o1 ZINC000882878134 1302144222 /nfs/dbraw/zinc/14/42/22/1302144222.db2.gz RFUWPXUUGUAQSR-UHFFFAOYSA-N 2 2 338.407 3.140 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000765256829 1302230426 /nfs/dbraw/zinc/23/04/26/1302230426.db2.gz YGGFMXMJGYAPQX-CRAIPNDOSA-N 2 2 338.459 3.229 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CC(C(F)F)C1 ZINC000768665482 1302955557 /nfs/dbraw/zinc/95/55/57/1302955557.db2.gz MJTUPGAVWCMYIT-UHFFFAOYSA-N 2 2 339.430 3.293 20 0 EGADLP CNc1nc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)[nH+]c2ccccc21 ZINC000884706264 1302959830 /nfs/dbraw/zinc/95/98/30/1302959830.db2.gz XFIOTXQFEBSPGS-UHFFFAOYSA-N 2 2 336.443 3.395 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769687916 1303158259 /nfs/dbraw/zinc/15/82/59/1303158259.db2.gz GSIKBTKTUXZBIK-ARFHVFGLSA-N 2 2 327.513 3.142 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000769687916 1303158262 /nfs/dbraw/zinc/15/82/62/1303158262.db2.gz GSIKBTKTUXZBIK-ARFHVFGLSA-N 2 2 327.513 3.142 20 0 EGADLP c1ccc([C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885913354 1303273362 /nfs/dbraw/zinc/27/33/62/1303273362.db2.gz APPSHRSJEAIWNT-VQTJNVASSA-N 2 2 344.499 3.141 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000773082846 1303621459 /nfs/dbraw/zinc/62/14/59/1303621459.db2.gz XBBWKBHITFRYPE-GOSISDBHSA-N 2 2 343.515 3.413 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(c3nc(N4CCCC4)cc[nH+]3)C2)CC1 ZINC000774523034 1303820973 /nfs/dbraw/zinc/82/09/73/1303820973.db2.gz DCIXIOGDDUEXLP-GOSISDBHSA-N 2 2 343.519 3.025 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604422 1303992019 /nfs/dbraw/zinc/99/20/19/1303992019.db2.gz QWGAMQVNUPYDKD-CRAIPNDOSA-N 2 2 340.870 3.463 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604422 1303992021 /nfs/dbraw/zinc/99/20/21/1303992021.db2.gz QWGAMQVNUPYDKD-CRAIPNDOSA-N 2 2 340.870 3.463 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000775634332 1303999657 /nfs/dbraw/zinc/99/96/57/1303999657.db2.gz OBTFXFRIHQBZEA-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000775634332 1303999661 /nfs/dbraw/zinc/99/96/61/1303999661.db2.gz OBTFXFRIHQBZEA-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP O=C1OC2(CCCC2)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000778568734 1304467380 /nfs/dbraw/zinc/46/73/80/1304467380.db2.gz JEEWUUFBQVPAQY-UHFFFAOYSA-N 2 2 349.519 3.297 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779071985 1304525772 /nfs/dbraw/zinc/52/57/72/1304525772.db2.gz HTZUSDMRGXQSHL-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779071985 1304525779 /nfs/dbraw/zinc/52/57/79/1304525779.db2.gz HTZUSDMRGXQSHL-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP CCCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000783977312 1305171138 /nfs/dbraw/zinc/17/11/38/1305171138.db2.gz QPHOFIIALVFDMP-MRXNPFEDSA-N 2 2 332.492 3.128 20 0 EGADLP CCCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CCCCC1 ZINC000783977312 1305171141 /nfs/dbraw/zinc/17/11/41/1305171141.db2.gz QPHOFIIALVFDMP-MRXNPFEDSA-N 2 2 332.492 3.128 20 0 EGADLP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000893101058 1305706103 /nfs/dbraw/zinc/70/61/03/1305706103.db2.gz FVDLPARQVADHAZ-UHFFFAOYSA-N 2 2 336.524 3.060 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000893099125 1305707356 /nfs/dbraw/zinc/70/73/56/1305707356.db2.gz WHFRAVSSYPJVHI-FUHWJXTLSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000893099125 1305707360 /nfs/dbraw/zinc/70/73/60/1305707360.db2.gz WHFRAVSSYPJVHI-FUHWJXTLSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242590 1305906140 /nfs/dbraw/zinc/90/61/40/1305906140.db2.gz FYONYAVLUJRFGE-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242590 1305906147 /nfs/dbraw/zinc/90/61/47/1305906147.db2.gz FYONYAVLUJRFGE-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000894037231 1306185922 /nfs/dbraw/zinc/18/59/22/1306185922.db2.gz FVPUIKVFIKIAMR-CQSZACIVSA-N 2 2 344.425 3.083 20 0 EGADLP CN(C)c1nc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000894037231 1306185927 /nfs/dbraw/zinc/18/59/27/1306185927.db2.gz FVPUIKVFIKIAMR-CQSZACIVSA-N 2 2 344.425 3.083 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000895823691 1309538042 /nfs/dbraw/zinc/53/80/42/1309538042.db2.gz XYSCISLOUDECQI-UHFFFAOYSA-N 2 2 342.487 3.439 20 0 EGADLP OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218713 1310226500 /nfs/dbraw/zinc/22/65/00/1310226500.db2.gz FVSNVAKOMPXENI-QZTJIDSGSA-N 2 2 349.837 3.063 20 0 EGADLP OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218713 1310226502 /nfs/dbraw/zinc/22/65/02/1310226502.db2.gz FVSNVAKOMPXENI-QZTJIDSGSA-N 2 2 349.837 3.063 20 0 EGADLP c1cnc(Oc2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2)cn1 ZINC000897981375 1310538561 /nfs/dbraw/zinc/53/85/61/1310538561.db2.gz KQWIRFRJRWEOAL-UHFFFAOYSA-N 2 2 338.455 3.375 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000800483758 1310766251 /nfs/dbraw/zinc/76/62/51/1310766251.db2.gz OQKKWICGRFIIBJ-FXAWDEMLSA-N 2 2 331.504 3.446 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001019139716 1317068259 /nfs/dbraw/zinc/06/82/59/1317068259.db2.gz QVUMTPYRXPFPNU-ROUUACIJSA-N 2 2 348.450 3.290 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1)C(C)C ZINC000805922458 1317439455 /nfs/dbraw/zinc/43/94/55/1317439455.db2.gz DMCKDJAFJTXVFB-UHFFFAOYSA-N 2 2 329.444 3.050 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1)C(C)C ZINC000805922458 1317439459 /nfs/dbraw/zinc/43/94/59/1317439459.db2.gz DMCKDJAFJTXVFB-UHFFFAOYSA-N 2 2 329.444 3.050 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1F ZINC000902348420 1317566510 /nfs/dbraw/zinc/56/65/10/1317566510.db2.gz LVPQGIZOFACDIE-INIZCTEOSA-N 3 2 330.451 3.188 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902429829 1317577329 /nfs/dbraw/zinc/57/73/29/1317577329.db2.gz ACIWSQFYWVUJFT-JYJIFUJCSA-N 2 2 330.472 3.103 20 0 EGADLP C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902891917 1317627781 /nfs/dbraw/zinc/62/77/81/1317627781.db2.gz XDRUVILCRCPOLZ-BEFAXECRSA-N 2 2 339.414 3.266 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972955 1317635442 /nfs/dbraw/zinc/63/54/42/1317635442.db2.gz MSTKPJKAMJXYLU-UONOGXRCSA-N 2 2 345.409 3.252 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972955 1317635448 /nfs/dbraw/zinc/63/54/48/1317635448.db2.gz MSTKPJKAMJXYLU-UONOGXRCSA-N 2 2 345.409 3.252 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000903054133 1317642914 /nfs/dbraw/zinc/64/29/14/1317642914.db2.gz GYRRWNSAUGPHRR-KLHJMIIUSA-N 2 2 344.499 3.162 20 0 EGADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000903380829 1317693607 /nfs/dbraw/zinc/69/36/07/1317693607.db2.gz YDCBLEPGEHPPJH-ACJLOTCBSA-N 2 2 348.441 3.108 20 0 EGADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000903380832 1317693958 /nfs/dbraw/zinc/69/39/58/1317693958.db2.gz YDCBLEPGEHPPJH-UGSOOPFHSA-N 2 2 348.441 3.108 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000903867140 1317739007 /nfs/dbraw/zinc/73/90/07/1317739007.db2.gz ZGMXUMIOJWHBJM-MRXNPFEDSA-N 2 2 342.270 3.150 20 0 EGADLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000903867140 1317739013 /nfs/dbraw/zinc/73/90/13/1317739013.db2.gz ZGMXUMIOJWHBJM-MRXNPFEDSA-N 2 2 342.270 3.150 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1C(F)(F)F ZINC000903969414 1317758708 /nfs/dbraw/zinc/75/87/08/1317758708.db2.gz FODUPZHZTQMPJG-HNNXBMFYSA-N 2 2 342.405 3.262 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c(Cl)nc21 ZINC000858245168 1328721280 /nfs/dbraw/zinc/72/12/80/1328721280.db2.gz OKZFMQJSEXYVPY-AWEZNQCLSA-N 2 2 349.910 3.487 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c(Cl)nc21 ZINC000858245168 1328721283 /nfs/dbraw/zinc/72/12/83/1328721283.db2.gz OKZFMQJSEXYVPY-AWEZNQCLSA-N 2 2 349.910 3.487 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)s1 ZINC000809560106 1317831516 /nfs/dbraw/zinc/83/15/16/1317831516.db2.gz LNOJXRVFRJEBMK-IEBWSBKVSA-N 2 2 345.512 3.293 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)s1 ZINC000809560106 1317831521 /nfs/dbraw/zinc/83/15/21/1317831521.db2.gz LNOJXRVFRJEBMK-IEBWSBKVSA-N 2 2 345.512 3.293 20 0 EGADLP C[C@H]1CCCN(C(=O)C2CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC2)C1 ZINC000904335253 1317832486 /nfs/dbraw/zinc/83/24/86/1317832486.db2.gz BILBJMNQIYKEPM-FUHWJXTLSA-N 2 2 337.552 3.111 20 0 EGADLP CC1CCN(C(=O)C2CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC2)CC1 ZINC000904335558 1317832753 /nfs/dbraw/zinc/83/27/53/1317832753.db2.gz GBJCEVZMPAURLP-GOSISDBHSA-N 2 2 337.552 3.111 20 0 EGADLP FC(F)(F)c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)[nH]n1 ZINC000904416099 1317844768 /nfs/dbraw/zinc/84/47/68/1317844768.db2.gz HEFIBUQMKNFWPH-GFCCVEGCSA-N 2 2 330.398 3.030 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)s1 ZINC000809622533 1317847845 /nfs/dbraw/zinc/84/78/45/1317847845.db2.gz JGTIQUYEBRMURJ-XJKSGUPXSA-N 2 2 342.468 3.004 20 0 EGADLP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000904590255 1317866707 /nfs/dbraw/zinc/86/67/07/1317866707.db2.gz TXRUZRMKYGZYCE-BXUZGUMPSA-N 2 2 326.404 3.062 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929990973 1328758892 /nfs/dbraw/zinc/75/88/92/1328758892.db2.gz DFOMRKIOPIKLLE-ROUUACIJSA-N 2 2 341.455 3.154 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929990973 1328758894 /nfs/dbraw/zinc/75/88/94/1328758894.db2.gz DFOMRKIOPIKLLE-ROUUACIJSA-N 2 2 341.455 3.154 20 0 EGADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000812842357 1318469495 /nfs/dbraw/zinc/46/94/95/1318469495.db2.gz IRBRASKYWVUGAT-SJORKVTESA-N 2 2 331.504 3.126 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000813854609 1318644993 /nfs/dbraw/zinc/64/49/93/1318644993.db2.gz BSDGARHCMRZYIW-MAUKXSAKSA-N 2 2 342.487 3.350 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960743710 1318846537 /nfs/dbraw/zinc/84/65/37/1318846537.db2.gz WANTZXZAZOVTFG-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960743710 1318846545 /nfs/dbraw/zinc/84/65/45/1318846545.db2.gz WANTZXZAZOVTFG-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(O)CCCC3(C)C)CC2)cc1 ZINC000815147025 1318910749 /nfs/dbraw/zinc/91/07/49/1318910749.db2.gz MTXUMEOOOXYGDD-NRFANRHFSA-N 2 2 345.531 3.252 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)c(C)[nH+]1 ZINC001022463020 1318951029 /nfs/dbraw/zinc/95/10/29/1318951029.db2.gz YKTBIBKJHKHTMN-ZRSRNVLSSA-N 2 2 341.499 3.293 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(N2CCCOC2=O)cc1 ZINC000815562369 1319015910 /nfs/dbraw/zinc/01/59/10/1319015910.db2.gz DELRMAAHBJZUPX-INIZCTEOSA-N 2 2 342.443 3.361 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC000960907633 1319053125 /nfs/dbraw/zinc/05/31/25/1319053125.db2.gz GMJVWQPBYQGLMC-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCC(C)(C)CC1 ZINC000960907633 1319053134 /nfs/dbraw/zinc/05/31/34/1319053134.db2.gz GMJVWQPBYQGLMC-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(Br)ncc1F ZINC000817938251 1319467147 /nfs/dbraw/zinc/46/71/47/1319467147.db2.gz HLONXWQPHNSLNW-SNVBAGLBSA-N 2 2 330.245 3.295 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)ncc1F ZINC000817966483 1319479330 /nfs/dbraw/zinc/47/93/30/1319479330.db2.gz OQBTYBDPGBRTPQ-YGRLFVJLSA-N 2 2 330.245 3.024 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000818209704 1319517713 /nfs/dbraw/zinc/51/77/13/1319517713.db2.gz XMURHPLONYQKOM-UHFFFAOYSA-N 2 2 338.467 3.329 20 0 EGADLP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC000961376855 1319532239 /nfs/dbraw/zinc/53/22/39/1319532239.db2.gz FABMSRIXCKFFDJ-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@H+]1CCC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC000961376855 1319532245 /nfs/dbraw/zinc/53/22/45/1319532245.db2.gz FABMSRIXCKFFDJ-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433985 1319586242 /nfs/dbraw/zinc/58/62/42/1319586242.db2.gz XQAHCTRNUIQMTJ-QGZVFWFLSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433985 1319586254 /nfs/dbraw/zinc/58/62/54/1319586254.db2.gz XQAHCTRNUIQMTJ-QGZVFWFLSA-N 2 2 346.519 3.046 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961433261 1319587520 /nfs/dbraw/zinc/58/75/20/1319587520.db2.gz VUOOYDFDPHEWOM-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961433261 1319587527 /nfs/dbraw/zinc/58/75/27/1319587527.db2.gz VUOOYDFDPHEWOM-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819078246 1319628957 /nfs/dbraw/zinc/62/89/57/1319628957.db2.gz HFQKMAZVRXAKAP-GOEBONIOSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819182663 1319659831 /nfs/dbraw/zinc/65/98/31/1319659831.db2.gz GMSFSSULGJMMTR-FOIQADDNSA-N 2 2 343.446 3.069 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)cc2)c1C ZINC000819994920 1319820623 /nfs/dbraw/zinc/82/06/23/1319820623.db2.gz ZKJLUKNFKDMAJP-SFHVURJKSA-N 2 2 326.444 3.300 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cc2)c1C ZINC000819994920 1319820632 /nfs/dbraw/zinc/82/06/32/1319820632.db2.gz ZKJLUKNFKDMAJP-SFHVURJKSA-N 2 2 326.444 3.300 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000821767406 1320030890 /nfs/dbraw/zinc/03/08/90/1320030890.db2.gz MVTMPTOPVSGWQU-MRXNPFEDSA-N 2 2 348.450 3.157 20 0 EGADLP Clc1cnc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000823851666 1320212011 /nfs/dbraw/zinc/21/20/11/1320212011.db2.gz VFKNICSOLSLAOG-INIZCTEOSA-N 2 2 349.862 3.214 20 0 EGADLP Fc1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccnc1Cl ZINC000824314685 1320247200 /nfs/dbraw/zinc/24/72/00/1320247200.db2.gz NKHPZSXTJAKUIH-OAHLLOKOSA-N 2 2 333.838 3.486 20 0 EGADLP Fc1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccnc1Cl ZINC000824314685 1320247203 /nfs/dbraw/zinc/24/72/03/1320247203.db2.gz NKHPZSXTJAKUIH-OAHLLOKOSA-N 2 2 333.838 3.486 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517234 1320931458 /nfs/dbraw/zinc/93/14/58/1320931458.db2.gz RDEOZYYZXHKAQI-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000839517234 1320931460 /nfs/dbraw/zinc/93/14/60/1320931460.db2.gz RDEOZYYZXHKAQI-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)Cn1nccc1C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000842684752 1321418466 /nfs/dbraw/zinc/41/84/66/1321418466.db2.gz KDQCKCIWTPRGCD-IBGZPJMESA-N 2 2 337.471 3.346 20 0 EGADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048440 1321461396 /nfs/dbraw/zinc/46/13/96/1321461396.db2.gz VQPZJUBJRDBPIW-GFCCVEGCSA-N 2 2 339.270 3.268 20 0 EGADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048440 1321461399 /nfs/dbraw/zinc/46/13/99/1321461399.db2.gz VQPZJUBJRDBPIW-GFCCVEGCSA-N 2 2 339.270 3.268 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058736 1321464253 /nfs/dbraw/zinc/46/42/53/1321464253.db2.gz XESGJLLKUKXGHU-CZUORRHYSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058736 1321464255 /nfs/dbraw/zinc/46/42/55/1321464255.db2.gz XESGJLLKUKXGHU-CZUORRHYSA-N 2 2 332.879 3.062 20 0 EGADLP C[C@H](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@H]1CCC[NH2+]C1 ZINC000843187364 1321483925 /nfs/dbraw/zinc/48/39/25/1321483925.db2.gz OICVEYBVVOGEDY-ZBFHGGJFSA-N 2 2 337.427 3.101 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000843376542 1321508854 /nfs/dbraw/zinc/50/88/54/1321508854.db2.gz AOLNDCFGBFJWLS-SPYBWZPUSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000843376542 1321508857 /nfs/dbraw/zinc/50/88/57/1321508857.db2.gz AOLNDCFGBFJWLS-SPYBWZPUSA-N 2 2 325.456 3.226 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000848530805 1321969779 /nfs/dbraw/zinc/96/97/79/1321969779.db2.gz GUGPBKHRWAZCRG-HZPDHXFCSA-N 2 2 348.491 3.309 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)c1ccco1 ZINC000849051093 1322058498 /nfs/dbraw/zinc/05/84/98/1322058498.db2.gz WPFSIQCUDNWKLY-BBRMVZONSA-N 2 2 330.432 3.354 20 0 EGADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N2CCCCC2)[NH+](C)C)cc1 ZINC000849078246 1322069346 /nfs/dbraw/zinc/06/93/46/1322069346.db2.gz YUSYORZHERJZBM-GOSISDBHSA-N 2 2 332.492 3.087 20 0 EGADLP CSc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+](C)C)cc1 ZINC000849113302 1322083002 /nfs/dbraw/zinc/08/30/02/1322083002.db2.gz RJLNSMZEFWBHQY-HNNXBMFYSA-N 2 2 329.473 3.043 20 0 EGADLP COCc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000850037874 1322187396 /nfs/dbraw/zinc/18/73/96/1322187396.db2.gz INNPZSIHFNECAY-UHFFFAOYSA-N 2 2 328.441 3.073 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530552 1322341678 /nfs/dbraw/zinc/34/16/78/1322341678.db2.gz DMAZUIKRRMKNBW-BRWVUGGUSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921530552 1322341682 /nfs/dbraw/zinc/34/16/82/1322341682.db2.gz DMAZUIKRRMKNBW-BRWVUGGUSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921920432 1322423508 /nfs/dbraw/zinc/42/35/08/1322423508.db2.gz OBOGEADSZKZKHP-INIZCTEOSA-N 2 2 337.467 3.332 20 0 EGADLP O[C@H](C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428989 1322750729 /nfs/dbraw/zinc/75/07/29/1322750729.db2.gz VNJOWCUUJRTYBI-SJORKVTESA-N 2 2 342.405 3.204 20 0 EGADLP O[C@H](C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428989 1322750734 /nfs/dbraw/zinc/75/07/34/1322750734.db2.gz VNJOWCUUJRTYBI-SJORKVTESA-N 2 2 342.405 3.204 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c2ncnn21 ZINC000924603101 1323071342 /nfs/dbraw/zinc/07/13/42/1323071342.db2.gz FMYJXLONTJJPLX-QFBILLFUSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670388 1323103962 /nfs/dbraw/zinc/10/39/62/1323103962.db2.gz ZPGAMIWHCUACQO-HOTGVXAUSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670388 1323103966 /nfs/dbraw/zinc/10/39/66/1323103966.db2.gz ZPGAMIWHCUACQO-HOTGVXAUSA-N 2 2 343.471 3.250 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852106603 1323148641 /nfs/dbraw/zinc/14/86/41/1323148641.db2.gz ACMOBMFHGUVXAX-HXUWFJFHSA-N 2 2 326.440 3.019 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852106603 1323148646 /nfs/dbraw/zinc/14/86/46/1323148646.db2.gz ACMOBMFHGUVXAX-HXUWFJFHSA-N 2 2 326.440 3.019 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852106603 1323148654 /nfs/dbraw/zinc/14/86/54/1323148654.db2.gz ACMOBMFHGUVXAX-HXUWFJFHSA-N 2 2 326.440 3.019 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852106603 1323148666 /nfs/dbraw/zinc/14/86/66/1323148666.db2.gz ACMOBMFHGUVXAX-HXUWFJFHSA-N 2 2 326.440 3.019 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cnn(C)n1 ZINC000924871507 1323193863 /nfs/dbraw/zinc/19/38/63/1323193863.db2.gz XTIOBZQDIZNHIL-MRXNPFEDSA-N 2 2 327.476 3.042 20 0 EGADLP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245165 1324042772 /nfs/dbraw/zinc/04/27/72/1324042772.db2.gz LTJRVHLNVHNQRA-ROUUACIJSA-N 2 2 326.444 3.042 20 0 EGADLP CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245165 1324042775 /nfs/dbraw/zinc/04/27/75/1324042775.db2.gz LTJRVHLNVHNQRA-ROUUACIJSA-N 2 2 326.444 3.042 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491631 1324341524 /nfs/dbraw/zinc/34/15/24/1324341524.db2.gz XBLLVDSGEQSVNA-IAGOWNOFSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491631 1324341532 /nfs/dbraw/zinc/34/15/32/1324341532.db2.gz XBLLVDSGEQSVNA-IAGOWNOFSA-N 2 2 342.487 3.211 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706590 1329167834 /nfs/dbraw/zinc/16/78/34/1329167834.db2.gz GOPHNNARJQMVCU-OTWHNJEPSA-N 2 2 341.455 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCC4CC4)[C@@H]3C2)c(C)[nH+]1 ZINC001026318584 1324722564 /nfs/dbraw/zinc/72/25/64/1324722564.db2.gz YNUDYYGWLNXAGD-IPMKNSEASA-N 2 2 341.499 3.247 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374648 1325179663 /nfs/dbraw/zinc/17/96/63/1325179663.db2.gz RBOMEEVACCBTAX-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374648 1325179672 /nfs/dbraw/zinc/17/96/72/1325179672.db2.gz RBOMEEVACCBTAX-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP c1ccc(COCc2ccccc2C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925546526 1325201803 /nfs/dbraw/zinc/20/18/03/1325201803.db2.gz OFJKCDCSZKOPIF-JFDBCFPISA-N 2 2 348.490 3.489 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(OCC(F)(F)F)cc1 ZINC000925564899 1325211977 /nfs/dbraw/zinc/21/19/77/1325211977.db2.gz MUEQTYDHHOUCLX-BFULIRAUSA-N 2 2 340.389 3.275 20 0 EGADLP c1coc(COCc2cccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c2)c1 ZINC000925607357 1325230050 /nfs/dbraw/zinc/23/00/50/1325230050.db2.gz VQTKFEZTNVPOJB-SQEGATDGSA-N 2 2 338.451 3.082 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925621545 1325234874 /nfs/dbraw/zinc/23/48/74/1325234874.db2.gz FBYYGMRKVVJHQH-OXQOHEQNSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000925621545 1325234884 /nfs/dbraw/zinc/23/48/84/1325234884.db2.gz FBYYGMRKVVJHQH-OXQOHEQNSA-N 3 2 327.472 3.142 20 0 EGADLP Cn1c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)nc2cccc(Cl)c21 ZINC000925641714 1325243885 /nfs/dbraw/zinc/24/38/85/1325243885.db2.gz CSSCBLVXVNZHHZ-GOEBONIOSA-N 2 2 346.906 3.485 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)on2)cc1 ZINC000925709070 1325267282 /nfs/dbraw/zinc/26/72/82/1325267282.db2.gz NYUSTXCPIHFHRB-NZSAHSFTSA-N 2 2 341.455 3.216 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926112150 1325432536 /nfs/dbraw/zinc/43/25/36/1325432536.db2.gz MXLWUOTUBSCMDP-YQQAZPJKSA-N 2 2 329.444 3.244 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926112150 1325432540 /nfs/dbraw/zinc/43/25/40/1325432540.db2.gz MXLWUOTUBSCMDP-YQQAZPJKSA-N 2 2 329.444 3.244 20 0 EGADLP CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001027462733 1327711954 /nfs/dbraw/zinc/71/19/54/1327711954.db2.gz IWXASVQLWGFVAN-DQPZFDDXSA-N 2 2 340.471 3.145 20 0 EGADLP CC1CC(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001027462733 1327711962 /nfs/dbraw/zinc/71/19/62/1327711962.db2.gz IWXASVQLWGFVAN-DQPZFDDXSA-N 2 2 340.471 3.145 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943356 1328417725 /nfs/dbraw/zinc/41/77/25/1328417725.db2.gz QSQYBBWXJBKAMS-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943356 1328417729 /nfs/dbraw/zinc/41/77/29/1328417729.db2.gz QSQYBBWXJBKAMS-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943356 1328417731 /nfs/dbraw/zinc/41/77/31/1328417731.db2.gz QSQYBBWXJBKAMS-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943356 1328417734 /nfs/dbraw/zinc/41/77/34/1328417734.db2.gz QSQYBBWXJBKAMS-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970013 1328443317 /nfs/dbraw/zinc/44/33/17/1328443317.db2.gz FISGZDUWMQKVPP-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027970013 1328443321 /nfs/dbraw/zinc/44/33/21/1328443321.db2.gz FISGZDUWMQKVPP-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)[NH2+]C1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865503675 1329706373 /nfs/dbraw/zinc/70/63/73/1329706373.db2.gz XLUQSGBNGOHDTG-UHFFFAOYSA-N 2 2 325.460 3.056 20 0 EGADLP CC(C)[NH2+]C1CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865503675 1329706375 /nfs/dbraw/zinc/70/63/75/1329706375.db2.gz XLUQSGBNGOHDTG-UHFFFAOYSA-N 2 2 325.460 3.056 20 0 EGADLP C[NH+](C)[C@@H]1CCCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865727585 1329733127 /nfs/dbraw/zinc/73/31/27/1329733127.db2.gz BNFFARIJNUOHNV-QGZVFWFLSA-N 2 2 325.460 3.009 20 0 EGADLP C[NH+](C)[C@@H]1CCCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865727585 1329733129 /nfs/dbraw/zinc/73/31/29/1329733129.db2.gz BNFFARIJNUOHNV-QGZVFWFLSA-N 2 2 325.460 3.009 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000865804752 1329739945 /nfs/dbraw/zinc/73/99/45/1329739945.db2.gz GUZHKULJUCUQIW-KRWDZBQOSA-N 2 2 347.469 3.400 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000865804752 1329739947 /nfs/dbraw/zinc/73/99/47/1329739947.db2.gz GUZHKULJUCUQIW-KRWDZBQOSA-N 2 2 347.469 3.400 20 0 EGADLP CCC[N@H+](C[C@@H]1CCC(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186553 1329953559 /nfs/dbraw/zinc/95/35/59/1329953559.db2.gz UIHVTABXYVQUGN-IBGZPJMESA-N 2 2 330.472 3.069 20 0 EGADLP CCC[N@@H+](C[C@@H]1CCC(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186553 1329953560 /nfs/dbraw/zinc/95/35/60/1329953560.db2.gz UIHVTABXYVQUGN-IBGZPJMESA-N 2 2 330.472 3.069 20 0 EGADLP CC1(C)C[N@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060317 1331313716 /nfs/dbraw/zinc/31/37/16/1331313716.db2.gz FCOZEPOOHMHQNM-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CC2CCCCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060317 1331313718 /nfs/dbraw/zinc/31/37/18/1331313718.db2.gz FCOZEPOOHMHQNM-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CC=C(C)C)C1 ZINC000951362819 1334231554 /nfs/dbraw/zinc/23/15/54/1334231554.db2.gz YUZABJPHOLBSNY-FQEVSTJZSA-N 2 2 347.547 3.282 20 0 EGADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC=C(C)C)C1 ZINC000951362819 1334231556 /nfs/dbraw/zinc/23/15/56/1334231556.db2.gz YUZABJPHOLBSNY-FQEVSTJZSA-N 2 2 347.547 3.282 20 0 EGADLP CCCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494679 1335758723 /nfs/dbraw/zinc/75/87/23/1335758723.db2.gz IKOBVIGTTQTNQT-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494679 1335758732 /nfs/dbraw/zinc/75/87/32/1335758732.db2.gz IKOBVIGTTQTNQT-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859230 1336070637 /nfs/dbraw/zinc/07/06/37/1336070637.db2.gz LUBUKUAVYRUJEU-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000968859230 1336070643 /nfs/dbraw/zinc/07/06/43/1336070643.db2.gz LUBUKUAVYRUJEU-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305863 1370715421 /nfs/dbraw/zinc/71/54/21/1370715421.db2.gz SXRGTRXQSNBNMK-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007634810 1336681218 /nfs/dbraw/zinc/68/12/18/1336681218.db2.gz DJSOLMZVQXEZOK-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007634810 1336681220 /nfs/dbraw/zinc/68/12/20/1336681220.db2.gz DJSOLMZVQXEZOK-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007634811 1336681318 /nfs/dbraw/zinc/68/13/18/1336681318.db2.gz DJSOLMZVQXEZOK-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007634811 1336681320 /nfs/dbraw/zinc/68/13/20/1336681320.db2.gz DJSOLMZVQXEZOK-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206812224 1371177655 /nfs/dbraw/zinc/17/76/55/1371177655.db2.gz YGYVYGBSFBUFTQ-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206812224 1371177658 /nfs/dbraw/zinc/17/76/58/1371177658.db2.gz YGYVYGBSFBUFTQ-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687795 1338690434 /nfs/dbraw/zinc/69/04/34/1338690434.db2.gz LTGVEARHBWQCGT-GOSISDBHSA-N 2 2 338.455 3.113 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854917 1341096450 /nfs/dbraw/zinc/09/64/50/1341096450.db2.gz BKPIMPUZXXJHJM-MJGOQNOKSA-N 2 2 344.503 3.115 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854917 1341096451 /nfs/dbraw/zinc/09/64/51/1341096451.db2.gz BKPIMPUZXXJHJM-MJGOQNOKSA-N 2 2 344.503 3.115 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032312 1341162129 /nfs/dbraw/zinc/16/21/29/1341162129.db2.gz UYQSOHNIHRQAAB-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032312 1341162131 /nfs/dbraw/zinc/16/21/31/1341162131.db2.gz UYQSOHNIHRQAAB-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032312 1341162132 /nfs/dbraw/zinc/16/21/32/1341162132.db2.gz UYQSOHNIHRQAAB-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032312 1341162134 /nfs/dbraw/zinc/16/21/34/1341162134.db2.gz UYQSOHNIHRQAAB-FHLIZLRMSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001030334793 1341178916 /nfs/dbraw/zinc/17/89/16/1341178916.db2.gz ACSNUOWHZTUCAB-RZQQEMMASA-N 2 2 343.515 3.012 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001030334793 1341178917 /nfs/dbraw/zinc/17/89/17/1341178917.db2.gz ACSNUOWHZTUCAB-RZQQEMMASA-N 2 2 343.515 3.012 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001030334792 1341179011 /nfs/dbraw/zinc/17/90/11/1341179011.db2.gz ACSNUOWHZTUCAB-JXXFODFXSA-N 2 2 343.515 3.012 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001030334792 1341179012 /nfs/dbraw/zinc/17/90/12/1341179012.db2.gz ACSNUOWHZTUCAB-JXXFODFXSA-N 2 2 343.515 3.012 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1 ZINC001030956034 1341255715 /nfs/dbraw/zinc/25/57/15/1341255715.db2.gz QPUIZQKHACSONV-IAGOWNOFSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1 ZINC001030956034 1341255717 /nfs/dbraw/zinc/25/57/17/1341255717.db2.gz QPUIZQKHACSONV-IAGOWNOFSA-N 2 2 343.515 3.156 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032632801 1341565180 /nfs/dbraw/zinc/56/51/80/1341565180.db2.gz HYQJFXDAYGHAJJ-MGHWNKPDSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001032632801 1341565181 /nfs/dbraw/zinc/56/51/81/1341565181.db2.gz HYQJFXDAYGHAJJ-MGHWNKPDSA-N 2 2 349.906 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CC[N@H+](CCC(C)(C)C)C3)ccn12 ZINC001033078159 1341717865 /nfs/dbraw/zinc/71/78/65/1341717865.db2.gz KLNMVZHCYBRUJU-KRWDZBQOSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CC[N@@H+](CCC(C)(C)C)C3)ccn12 ZINC001033078159 1341717866 /nfs/dbraw/zinc/71/78/66/1341717866.db2.gz KLNMVZHCYBRUJU-KRWDZBQOSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001033193699 1341749464 /nfs/dbraw/zinc/74/94/64/1341749464.db2.gz UJAZPRWDJXOMQC-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001033193699 1341749465 /nfs/dbraw/zinc/74/94/65/1341749465.db2.gz UJAZPRWDJXOMQC-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCC(C)CC2)C1 ZINC001034502835 1342560434 /nfs/dbraw/zinc/56/04/34/1342560434.db2.gz JFEULVCKOFPHSM-VMWRSERWSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCC(C)CC2)C1 ZINC001034502835 1342560437 /nfs/dbraw/zinc/56/04/37/1342560437.db2.gz JFEULVCKOFPHSM-VMWRSERWSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036393516 1343462162 /nfs/dbraw/zinc/46/21/62/1343462162.db2.gz IBJHLHGLEAANTK-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037158599 1344008429 /nfs/dbraw/zinc/00/84/29/1344008429.db2.gz UCHRKAWSCURTCP-ZWKOTPCHSA-N 2 2 346.519 3.106 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037933942 1344189560 /nfs/dbraw/zinc/18/95/60/1344189560.db2.gz NEKRUVDJIIMKKJ-PKOBYXMFSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874152 1344623838 /nfs/dbraw/zinc/62/38/38/1344623838.db2.gz ODAOSIPKGVVMMW-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001038874152 1344623843 /nfs/dbraw/zinc/62/38/43/1344623843.db2.gz ODAOSIPKGVVMMW-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214240 1344929869 /nfs/dbraw/zinc/92/98/69/1344929869.db2.gz RHVWTEYWJPFDFV-BEFAXECRSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214240 1344929871 /nfs/dbraw/zinc/92/98/71/1344929871.db2.gz RHVWTEYWJPFDFV-BEFAXECRSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253503 1344985007 /nfs/dbraw/zinc/98/50/07/1344985007.db2.gz IGROQXBGMPRBET-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253503 1344985009 /nfs/dbraw/zinc/98/50/09/1344985009.db2.gz IGROQXBGMPRBET-MSOLQXFVSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426969 1345491562 /nfs/dbraw/zinc/49/15/62/1345491562.db2.gz ZMEFZHRIMQPNIM-ICSRJNTNSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426969 1345491564 /nfs/dbraw/zinc/49/15/64/1345491564.db2.gz ZMEFZHRIMQPNIM-ICSRJNTNSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001042546051 1346088181 /nfs/dbraw/zinc/08/81/81/1346088181.db2.gz PWEVUCPTMLAXIG-JXFKEZNVSA-N 2 2 343.515 3.108 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001042546051 1346088182 /nfs/dbraw/zinc/08/81/82/1346088182.db2.gz PWEVUCPTMLAXIG-JXFKEZNVSA-N 2 2 343.515 3.108 20 0 EGADLP CC1CC(C[NH+]2CCC(C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001045476619 1346603150 /nfs/dbraw/zinc/60/31/50/1346603150.db2.gz WLLYUCHXSSHPKZ-UHFFFAOYSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968764 1346804073 /nfs/dbraw/zinc/80/40/73/1346804073.db2.gz GVUKDQJYWYOQNK-ICSRJNTNSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968764 1346804076 /nfs/dbraw/zinc/80/40/76/1346804076.db2.gz GVUKDQJYWYOQNK-ICSRJNTNSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968763 1346804237 /nfs/dbraw/zinc/80/42/37/1346804237.db2.gz GVUKDQJYWYOQNK-AZUAARDMSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045968763 1346804238 /nfs/dbraw/zinc/80/42/38/1346804238.db2.gz GVUKDQJYWYOQNK-AZUAARDMSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2)n1cc[nH+]c1 ZINC001050684442 1348326395 /nfs/dbraw/zinc/32/63/95/1348326395.db2.gz LHPABIDZQLSWGO-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001052499248 1348560369 /nfs/dbraw/zinc/56/03/69/1348560369.db2.gz RIHHYFCQMWGWQK-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001052499248 1348560371 /nfs/dbraw/zinc/56/03/71/1348560371.db2.gz RIHHYFCQMWGWQK-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052750759 1348661290 /nfs/dbraw/zinc/66/12/90/1348661290.db2.gz MDCSEROHHRCRSF-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052750759 1348661293 /nfs/dbraw/zinc/66/12/93/1348661293.db2.gz MDCSEROHHRCRSF-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228634 1349222417 /nfs/dbraw/zinc/22/24/17/1349222417.db2.gz VNFQUISTKQNRRW-JXFKEZNVSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228634 1349222421 /nfs/dbraw/zinc/22/24/21/1349222421.db2.gz VNFQUISTKQNRRW-JXFKEZNVSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC2CCCC2)C1 ZINC001072029998 1355091369 /nfs/dbraw/zinc/09/13/69/1355091369.db2.gz LFPHXESTKVKDHC-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC2CCCC2)C1 ZINC001072029998 1355091371 /nfs/dbraw/zinc/09/13/71/1355091371.db2.gz LFPHXESTKVKDHC-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460667 1356394554 /nfs/dbraw/zinc/39/45/54/1356394554.db2.gz ZROJSFUHTSOUJV-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460667 1356394559 /nfs/dbraw/zinc/39/45/59/1356394559.db2.gz ZROJSFUHTSOUJV-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325764 1363751826 /nfs/dbraw/zinc/75/18/26/1363751826.db2.gz XOUAQKMIYOMHRI-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325764 1363751829 /nfs/dbraw/zinc/75/18/29/1363751829.db2.gz XOUAQKMIYOMHRI-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001086121739 1359002679 /nfs/dbraw/zinc/00/26/79/1359002679.db2.gz HNXDEGWHSMNUAO-RKVPGOIHSA-N 2 2 348.450 3.422 20 0 EGADLP CC(C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595089 1359158956 /nfs/dbraw/zinc/15/89/56/1359158956.db2.gz KGLJEIBTHAJJEU-FXAWDEMLSA-N 2 2 348.450 3.169 20 0 EGADLP CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595089 1359158958 /nfs/dbraw/zinc/15/89/58/1359158958.db2.gz KGLJEIBTHAJJEU-FXAWDEMLSA-N 2 2 348.450 3.169 20 0 EGADLP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086925600 1359251037 /nfs/dbraw/zinc/25/10/37/1359251037.db2.gz BHJYMUPWUVGBRT-KRWDZBQOSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086925600 1359251039 /nfs/dbraw/zinc/25/10/39/1359251039.db2.gz BHJYMUPWUVGBRT-KRWDZBQOSA-N 2 2 344.503 3.012 20 0 EGADLP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001323636079 1387413275 /nfs/dbraw/zinc/41/32/75/1387413275.db2.gz BSXLVKUZHNRERO-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001323636079 1387413276 /nfs/dbraw/zinc/41/32/76/1387413276.db2.gz BSXLVKUZHNRERO-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088355815 1359839471 /nfs/dbraw/zinc/83/94/71/1359839471.db2.gz IIVOVKQZNVWWKZ-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001088434366 1359903031 /nfs/dbraw/zinc/90/30/31/1359903031.db2.gz XSSXTJJZCKXNTP-LJQANCHMSA-N 2 2 344.503 3.134 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCCC1CCC1 ZINC001088663773 1360006597 /nfs/dbraw/zinc/00/65/97/1360006597.db2.gz UWNWGPRSAMZIES-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCCC1CCC1 ZINC001088663773 1360006600 /nfs/dbraw/zinc/00/66/00/1360006600.db2.gz UWNWGPRSAMZIES-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CCC2CCCC2)C1 ZINC001089528431 1360491794 /nfs/dbraw/zinc/49/17/94/1360491794.db2.gz KFXYLPDTKNJTPK-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CCC2CCCC2)C1 ZINC001089528431 1360491796 /nfs/dbraw/zinc/49/17/96/1360491796.db2.gz KFXYLPDTKNJTPK-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654101 1360566632 /nfs/dbraw/zinc/56/66/32/1360566632.db2.gz UPVFBRPXQPYLAQ-GVDBMIGSSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001089654101 1360566634 /nfs/dbraw/zinc/56/66/34/1360566634.db2.gz UPVFBRPXQPYLAQ-GVDBMIGSSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654101 1360566637 /nfs/dbraw/zinc/56/66/37/1360566637.db2.gz UPVFBRPXQPYLAQ-GVDBMIGSSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001089654101 1360566638 /nfs/dbraw/zinc/56/66/38/1360566638.db2.gz UPVFBRPXQPYLAQ-GVDBMIGSSA-N 2 2 344.503 3.086 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001323813928 1387466202 /nfs/dbraw/zinc/46/62/02/1387466202.db2.gz VNJGFUMXYDBDJT-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001323813928 1387466204 /nfs/dbraw/zinc/46/62/04/1387466204.db2.gz VNJGFUMXYDBDJT-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092057173 1361285483 /nfs/dbraw/zinc/28/54/83/1361285483.db2.gz MWMDEQVHSRCXNJ-POAQFYNOSA-N 2 2 346.519 3.051 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092057173 1361285484 /nfs/dbraw/zinc/28/54/84/1361285484.db2.gz MWMDEQVHSRCXNJ-POAQFYNOSA-N 2 2 346.519 3.051 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049242 1363594237 /nfs/dbraw/zinc/59/42/37/1363594237.db2.gz PVVGBOYFHYRMJR-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049242 1363594241 /nfs/dbraw/zinc/59/42/41/1363594241.db2.gz PVVGBOYFHYRMJR-QGZVFWFLSA-N 2 2 348.535 3.385 20 0 EGADLP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157917 1363661581 /nfs/dbraw/zinc/66/15/81/1363661581.db2.gz BEVSVDNKBYRLFC-XFHJGTJQSA-N 2 2 346.519 3.236 20 0 EGADLP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157917 1363661583 /nfs/dbraw/zinc/66/15/83/1363661583.db2.gz BEVSVDNKBYRLFC-XFHJGTJQSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359268 1363771420 /nfs/dbraw/zinc/77/14/20/1363771420.db2.gz NOLGZGONYYREQY-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099359268 1363771423 /nfs/dbraw/zinc/77/14/23/1363771423.db2.gz NOLGZGONYYREQY-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100663469 1364209220 /nfs/dbraw/zinc/20/92/20/1364209220.db2.gz UEBYULLFGSOXFO-PGEVEOQXSA-N 2 2 344.503 3.060 20 0 EGADLP CC(C)CC[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001100819548 1364277598 /nfs/dbraw/zinc/27/75/98/1364277598.db2.gz ZXWJWOOPSYXTEQ-UHFFFAOYSA-N 2 2 340.471 3.016 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581092 1364633871 /nfs/dbraw/zinc/63/38/71/1364633871.db2.gz IFLRCOODUMMDPA-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581092 1364633874 /nfs/dbraw/zinc/63/38/74/1364633874.db2.gz IFLRCOODUMMDPA-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001101590221 1364641272 /nfs/dbraw/zinc/64/12/72/1364641272.db2.gz FAZFBONDKSPLGY-UHFFFAOYSA-N 2 2 348.535 3.342 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414574 1365045421 /nfs/dbraw/zinc/04/54/21/1365045421.db2.gz JNAPYVBSZGZZKX-ZIFCJYIRSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001102414574 1365045425 /nfs/dbraw/zinc/04/54/25/1365045425.db2.gz JNAPYVBSZGZZKX-ZIFCJYIRSA-N 2 2 346.519 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103071040 1365364275 /nfs/dbraw/zinc/36/42/75/1365364275.db2.gz ZKODHJKXKKXVTO-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001103071040 1365364279 /nfs/dbraw/zinc/36/42/79/1365364279.db2.gz ZKODHJKXKKXVTO-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103071040 1365364283 /nfs/dbraw/zinc/36/42/83/1365364283.db2.gz ZKODHJKXKKXVTO-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001103071040 1365364285 /nfs/dbraw/zinc/36/42/85/1365364285.db2.gz ZKODHJKXKKXVTO-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145186 1365407360 /nfs/dbraw/zinc/40/73/60/1365407360.db2.gz FNGYVIPVYOMYHR-HJHBSRAZSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145186 1365407364 /nfs/dbraw/zinc/40/73/64/1365407364.db2.gz FNGYVIPVYOMYHR-HJHBSRAZSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145188 1365407824 /nfs/dbraw/zinc/40/78/24/1365407824.db2.gz FNGYVIPVYOMYHR-WVHFKYGJSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145188 1365407825 /nfs/dbraw/zinc/40/78/25/1365407825.db2.gz FNGYVIPVYOMYHR-WVHFKYGJSA-N 2 2 346.862 3.003 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001185571638 1387752563 /nfs/dbraw/zinc/75/25/63/1387752563.db2.gz FEZABPHQURAXTH-NVXWUHKLSA-N 2 2 348.535 3.161 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc([S@@](C)=O)cc2)[nH+]1 ZINC001324746814 1387759611 /nfs/dbraw/zinc/75/96/11/1387759611.db2.gz ODDSGJNVWNKUMW-BXKMTCNYSA-N 2 2 343.496 3.204 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc([S@@](C)=O)cc2)[nH+]1 ZINC001324746814 1387759612 /nfs/dbraw/zinc/75/96/12/1387759612.db2.gz ODDSGJNVWNKUMW-BXKMTCNYSA-N 2 2 343.496 3.204 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846631 1387790709 /nfs/dbraw/zinc/79/07/09/1387790709.db2.gz ZPFOLEPBUJZGKK-INIZCTEOSA-N 2 2 335.455 3.265 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846631 1387790711 /nfs/dbraw/zinc/79/07/11/1387790711.db2.gz ZPFOLEPBUJZGKK-INIZCTEOSA-N 2 2 335.455 3.265 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567956 1366536014 /nfs/dbraw/zinc/53/60/14/1366536014.db2.gz BKXHPUFKUMDQQR-WMZOPIPTSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567956 1366536017 /nfs/dbraw/zinc/53/60/17/1366536017.db2.gz BKXHPUFKUMDQQR-WMZOPIPTSA-N 2 2 346.519 3.138 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710264 1366777674 /nfs/dbraw/zinc/77/76/74/1366777674.db2.gz DGZJZOURXNSDLR-FGTMMUONSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710577 1366778159 /nfs/dbraw/zinc/77/81/59/1366778159.db2.gz MLWLWJWLTJEHPA-ZIFCJYIRSA-N 2 2 346.519 3.099 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651865 1367094439 /nfs/dbraw/zinc/09/44/39/1367094439.db2.gz LQXCMJVPCWRFJR-QWFCFKBJSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651865 1367094443 /nfs/dbraw/zinc/09/44/43/1367094443.db2.gz LQXCMJVPCWRFJR-QWFCFKBJSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448150 1367128161 /nfs/dbraw/zinc/12/81/61/1367128161.db2.gz BBCVYHJHJWXCFV-AYBZRNKSSA-N 2 2 340.471 3.334 20 0 EGADLP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001109448150 1367128167 /nfs/dbraw/zinc/12/81/67/1367128167.db2.gz BBCVYHJHJWXCFV-AYBZRNKSSA-N 2 2 340.471 3.334 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@H+](C)CCCC(C)(C)C)C2)c[nH+]1 ZINC001190898481 1367378514 /nfs/dbraw/zinc/37/85/14/1367378514.db2.gz CGIIRFYIQVBVQD-KRWDZBQOSA-N 2 2 348.535 3.286 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@@H+](C)CCCC(C)(C)C)C2)c[nH+]1 ZINC001190898481 1367378518 /nfs/dbraw/zinc/37/85/18/1367378518.db2.gz CGIIRFYIQVBVQD-KRWDZBQOSA-N 2 2 348.535 3.286 20 0 EGADLP C[NH+](C)C1(CNC(=O)Nc2ccc(C(C)(C)C)cc2)CC[NH+](C)CC1 ZINC001191154048 1367435310 /nfs/dbraw/zinc/43/53/10/1367435310.db2.gz VNVCQEFAAPEEPX-UHFFFAOYSA-N 2 2 346.519 3.132 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001191257017 1367460951 /nfs/dbraw/zinc/46/09/51/1367460951.db2.gz HWXAVCKPXPLNDC-AZUAARDMSA-N 2 2 345.531 3.400 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC001191257017 1367460954 /nfs/dbraw/zinc/46/09/54/1367460954.db2.gz HWXAVCKPXPLNDC-AZUAARDMSA-N 2 2 345.531 3.400 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](C[C@H](C)CC(C)C)CC3)ccn12 ZINC001112853598 1369048544 /nfs/dbraw/zinc/04/85/44/1369048544.db2.gz FMWGQCCVRDZGCB-MRXNPFEDSA-N 2 2 342.487 3.083 20 0 EGADLP CC(C)c1ccc(NC(=S)NCC2([NH+](C)C)CC[NH+](C)CC2)cc1 ZINC001198627701 1369076825 /nfs/dbraw/zinc/07/68/25/1369076825.db2.gz DFRJHFXOGLZLHO-UHFFFAOYSA-N 2 2 348.560 3.122 20 0 EGADLP CCC/C=C/CC[NH2+]C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001201223963 1369498606 /nfs/dbraw/zinc/49/86/06/1369498606.db2.gz IMCAWZAWJFMWND-BQYQJAHWSA-N 2 2 346.519 3.254 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684226 1369564095 /nfs/dbraw/zinc/56/40/95/1369564095.db2.gz UMJYVHDPUIKEFG-YJJPMGAVSA-N 2 2 343.515 3.180 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560273 1369576368 /nfs/dbraw/zinc/57/63/68/1369576368.db2.gz QVBUQTRGFOEMFS-WOJBJXKFSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560273 1369576371 /nfs/dbraw/zinc/57/63/71/1369576371.db2.gz QVBUQTRGFOEMFS-WOJBJXKFSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201560273 1369576374 /nfs/dbraw/zinc/57/63/74/1369576374.db2.gz QVBUQTRGFOEMFS-WOJBJXKFSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@@H](CC)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201560273 1369576377 /nfs/dbraw/zinc/57/63/77/1369576377.db2.gz QVBUQTRGFOEMFS-WOJBJXKFSA-N 2 2 340.552 3.264 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1)[C@H]2C ZINC001201598730 1369586102 /nfs/dbraw/zinc/58/61/02/1369586102.db2.gz SVUFZXXWQSCVGI-KRWDZBQOSA-N 2 2 326.488 3.343 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1)[C@H]2C ZINC001201598730 1369586107 /nfs/dbraw/zinc/58/61/07/1369586107.db2.gz SVUFZXXWQSCVGI-KRWDZBQOSA-N 2 2 326.488 3.343 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccccc1)[C@H]2C ZINC001201598730 1369586110 /nfs/dbraw/zinc/58/61/10/1369586110.db2.gz SVUFZXXWQSCVGI-KRWDZBQOSA-N 2 2 326.488 3.343 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccccc1)[C@H]2C ZINC001201598730 1369586116 /nfs/dbraw/zinc/58/61/16/1369586116.db2.gz SVUFZXXWQSCVGI-KRWDZBQOSA-N 2 2 326.488 3.343 20 0 EGADLP C[N@H+](CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1)Cc1ccccc1 ZINC001113724343 1369586556 /nfs/dbraw/zinc/58/65/56/1369586556.db2.gz XOBYYKUOOKCHGZ-UHFFFAOYSA-N 2 2 345.531 3.089 20 0 EGADLP C[N@@H+](CC(=O)N1CC[NH+](CCCC(C)(C)C)CC1)Cc1ccccc1 ZINC001113724343 1369586559 /nfs/dbraw/zinc/58/65/59/1369586559.db2.gz XOBYYKUOOKCHGZ-UHFFFAOYSA-N 2 2 345.531 3.089 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404827 1369762171 /nfs/dbraw/zinc/76/21/71/1369762171.db2.gz IYHFHLGZSISQRJ-CHWSQXEVSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001202404827 1369762173 /nfs/dbraw/zinc/76/21/73/1369762173.db2.gz IYHFHLGZSISQRJ-CHWSQXEVSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001202404827 1369762177 /nfs/dbraw/zinc/76/21/77/1369762177.db2.gz IYHFHLGZSISQRJ-CHWSQXEVSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001202404827 1369762182 /nfs/dbraw/zinc/76/21/82/1369762182.db2.gz IYHFHLGZSISQRJ-CHWSQXEVSA-N 2 2 333.423 3.382 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001202405734 1369763479 /nfs/dbraw/zinc/76/34/79/1369763479.db2.gz VPNXSMHZLCODAX-UHFFFAOYSA-N 2 2 343.393 3.095 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203013266 1369954007 /nfs/dbraw/zinc/95/40/07/1369954007.db2.gz IQDDJEGMDSQBQO-IFOCYFHOSA-N 2 2 344.503 3.106 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203013266 1369954010 /nfs/dbraw/zinc/95/40/10/1369954010.db2.gz IQDDJEGMDSQBQO-IFOCYFHOSA-N 2 2 344.503 3.106 20 0 EGADLP Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001203104226 1369984751 /nfs/dbraw/zinc/98/47/51/1369984751.db2.gz BGCRQUQUWBTAPZ-SFHVURJKSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC001203104226 1369984752 /nfs/dbraw/zinc/98/47/52/1369984752.db2.gz BGCRQUQUWBTAPZ-SFHVURJKSA-N 2 2 343.515 3.062 20 0 EGADLP CCCCC[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001203171840 1370009929 /nfs/dbraw/zinc/00/99/29/1370009929.db2.gz RAUSUBNDURQCBR-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP CCc1[nH]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC001203251694 1370041300 /nfs/dbraw/zinc/04/13/00/1370041300.db2.gz OVFYSESVAKOCAO-HZPDHXFCSA-N 2 2 326.488 3.375 20 0 EGADLP CCc1[nH]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC001203251694 1370041301 /nfs/dbraw/zinc/04/13/01/1370041301.db2.gz OVFYSESVAKOCAO-HZPDHXFCSA-N 2 2 326.488 3.375 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1C ZINC001203899389 1370304612 /nfs/dbraw/zinc/30/46/12/1370304612.db2.gz RSKVBWXTJFHPSQ-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(OC)c1O ZINC001204122256 1370383121 /nfs/dbraw/zinc/38/31/21/1370383121.db2.gz XISSEXWFPLTGEH-KRWDZBQOSA-N 2 2 348.487 3.250 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(OC)c1O ZINC001204122256 1370383126 /nfs/dbraw/zinc/38/31/26/1370383126.db2.gz XISSEXWFPLTGEH-KRWDZBQOSA-N 2 2 348.487 3.250 20 0 EGADLP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001204177820 1370400425 /nfs/dbraw/zinc/40/04/25/1370400425.db2.gz CDUZKWRUPRMGQO-IBGZPJMESA-N 2 2 344.499 3.098 20 0 EGADLP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001204177820 1370400429 /nfs/dbraw/zinc/40/04/29/1370400429.db2.gz CDUZKWRUPRMGQO-IBGZPJMESA-N 2 2 344.499 3.098 20 0 EGADLP CCCCCCOc1ccccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001204294553 1370434693 /nfs/dbraw/zinc/43/46/93/1370434693.db2.gz SWGNTJRVUIWMHL-UHFFFAOYSA-N 2 2 347.547 3.325 20 0 EGADLP CCCCCCOc1ccccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001204294553 1370434696 /nfs/dbraw/zinc/43/46/96/1370434696.db2.gz SWGNTJRVUIWMHL-UHFFFAOYSA-N 2 2 347.547 3.325 20 0 EGADLP Cc1cccc2[nH+]cc(Nc3cccc(CC[NH+]4CCOCC4)c3)n21 ZINC001204365860 1370454731 /nfs/dbraw/zinc/45/47/31/1370454731.db2.gz IDXIBFYRWJRHHH-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP COCC[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204880050 1370595687 /nfs/dbraw/zinc/59/56/87/1370595687.db2.gz VEKMHLRCKJAQEE-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP COCC[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH+](C)CC1 ZINC001204880050 1370595691 /nfs/dbraw/zinc/59/56/91/1370595691.db2.gz VEKMHLRCKJAQEE-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP CC(C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627879 1370621302 /nfs/dbraw/zinc/62/13/02/1370621302.db2.gz WKONXFVACREXSY-UHFFFAOYSA-N 2 2 328.460 3.013 20 0 EGADLP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205018341 1370630086 /nfs/dbraw/zinc/63/00/86/1370630086.db2.gz SYBDGWDDKMNPQD-HNNXBMFYSA-N 2 2 343.471 3.084 20 0 EGADLP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC001205018341 1370630089 /nfs/dbraw/zinc/63/00/89/1370630089.db2.gz SYBDGWDDKMNPQD-HNNXBMFYSA-N 2 2 343.471 3.084 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CCCF)CCCCC2)c(C)[nH+]1 ZINC001115640989 1370632744 /nfs/dbraw/zinc/63/27/44/1370632744.db2.gz ZZKZVQMJZUDACW-UHFFFAOYSA-N 2 2 335.467 3.389 20 0 EGADLP CC(C)Oc1ccc(Br)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136273 1370660238 /nfs/dbraw/zinc/66/02/38/1370660238.db2.gz UEPCVFFRYCQQMD-GXTWGEPZSA-N 2 2 341.293 3.263 20 0 EGADLP CC(C)Oc1ccc(Br)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136273 1370660241 /nfs/dbraw/zinc/66/02/41/1370660241.db2.gz UEPCVFFRYCQQMD-GXTWGEPZSA-N 2 2 341.293 3.263 20 0 EGADLP CSc1ncc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(NC2CCCC2)n1 ZINC001205266756 1370700067 /nfs/dbraw/zinc/70/00/67/1370700067.db2.gz XGMISMHKGIXUFN-SFHVURJKSA-N 2 2 349.548 3.256 20 0 EGADLP CSc1ncc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(NC2CCCC2)n1 ZINC001205266756 1370700070 /nfs/dbraw/zinc/70/00/70/1370700070.db2.gz XGMISMHKGIXUFN-SFHVURJKSA-N 2 2 349.548 3.256 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205305863 1370715418 /nfs/dbraw/zinc/71/54/18/1370715418.db2.gz SXRGTRXQSNBNMK-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CC1CCC(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CCCCC2)CC1 ZINC001115790406 1370772958 /nfs/dbraw/zinc/77/29/58/1370772958.db2.gz PFDBGOOAUIASQC-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)OC1CCCCC1 ZINC001116070736 1370830904 /nfs/dbraw/zinc/83/09/04/1370830904.db2.gz ASPZSUODMNNGIU-ZDUSSCGKSA-N 2 2 328.416 3.252 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)n2)cc1 ZINC001205781728 1370867855 /nfs/dbraw/zinc/86/78/55/1370867855.db2.gz YGZOHKWQOSKZFV-OAHLLOKOSA-N 2 2 347.409 3.173 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)n2)cc1 ZINC001205781728 1370867859 /nfs/dbraw/zinc/86/78/59/1370867859.db2.gz YGZOHKWQOSKZFV-OAHLLOKOSA-N 2 2 347.409 3.173 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(C)[C@H](C)CC(C)C)[nH+]1 ZINC001116350753 1370891847 /nfs/dbraw/zinc/89/18/47/1370891847.db2.gz MLCWLQYGJJDTRG-QZTJIDSGSA-N 2 2 346.519 3.159 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)CC(C)C)[nH+]1 ZINC001116350753 1370891850 /nfs/dbraw/zinc/89/18/50/1370891850.db2.gz MLCWLQYGJJDTRG-QZTJIDSGSA-N 2 2 346.519 3.159 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856264 1370893676 /nfs/dbraw/zinc/89/36/76/1370893676.db2.gz UGUFLDGFIVRDHV-RHSMWYFYSA-N 2 2 329.488 3.472 20 0 EGADLP COc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856264 1370893680 /nfs/dbraw/zinc/89/36/80/1370893680.db2.gz UGUFLDGFIVRDHV-RHSMWYFYSA-N 2 2 329.488 3.472 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901021 1370904906 /nfs/dbraw/zinc/90/49/06/1370904906.db2.gz AOMVKVDHNPZMGD-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901021 1370904909 /nfs/dbraw/zinc/90/49/09/1370904909.db2.gz AOMVKVDHNPZMGD-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205916627 1370910118 /nfs/dbraw/zinc/91/01/18/1370910118.db2.gz UYGLPIASRSOGQK-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)ccc1Br ZINC001205916627 1370910119 /nfs/dbraw/zinc/91/01/19/1370910119.db2.gz UYGLPIASRSOGQK-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923249 1370912615 /nfs/dbraw/zinc/91/26/15/1370912615.db2.gz LOCXYVKEXVRGIB-MNOVXSKESA-N 2 2 342.365 3.021 20 0 EGADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923249 1370912617 /nfs/dbraw/zinc/91/26/17/1370912617.db2.gz LOCXYVKEXVRGIB-MNOVXSKESA-N 2 2 342.365 3.021 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2-c2cccc(Br)n2)C[C@H]1[NH3+] ZINC001206064807 1370951949 /nfs/dbraw/zinc/95/19/49/1370951949.db2.gz FDEYDXNRVCTWMB-IUODEOHRSA-N 2 2 346.272 3.290 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2-c2cccc(Br)n2)C[C@H]1[NH3+] ZINC001206064807 1370951952 /nfs/dbraw/zinc/95/19/52/1370951952.db2.gz FDEYDXNRVCTWMB-IUODEOHRSA-N 2 2 346.272 3.290 20 0 EGADLP CCC(CC)C[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206427206 1371051034 /nfs/dbraw/zinc/05/10/34/1371051034.db2.gz BGYTYWLSFUMUOA-MRXNPFEDSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533302 1371085315 /nfs/dbraw/zinc/08/53/15/1371085315.db2.gz CMRVRSPDLYXFGK-IRXDYDNUSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533302 1371085322 /nfs/dbraw/zinc/08/53/22/1371085322.db2.gz CMRVRSPDLYXFGK-IRXDYDNUSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)[N@H+](Cc1ccc(Br)cn1)C1CC[NH+](C)CC1 ZINC001206547705 1371089722 /nfs/dbraw/zinc/08/97/22/1371089722.db2.gz MCDNRKIVDGAVKN-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[N@@H+](Cc1ccc(Br)cn1)C1CC[NH+](C)CC1 ZINC001206547705 1371089724 /nfs/dbraw/zinc/08/97/24/1371089724.db2.gz MCDNRKIVDGAVKN-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1Br ZINC001206565597 1371095619 /nfs/dbraw/zinc/09/56/19/1371095619.db2.gz UTALSGHYOFZYOC-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1Br ZINC001206565597 1371095623 /nfs/dbraw/zinc/09/56/23/1371095623.db2.gz UTALSGHYOFZYOC-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206574696 1371097445 /nfs/dbraw/zinc/09/74/45/1371097445.db2.gz UJMCHCOQKHZIJJ-GOSISDBHSA-N 2 2 331.485 3.467 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001206574696 1371097450 /nfs/dbraw/zinc/09/74/50/1371097450.db2.gz UJMCHCOQKHZIJJ-GOSISDBHSA-N 2 2 331.485 3.467 20 0 EGADLP CCOc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)cn1 ZINC001206606296 1371107367 /nfs/dbraw/zinc/10/73/67/1371107367.db2.gz JKUVEFNHEGVFOZ-OAHLLOKOSA-N 2 2 325.884 3.486 20 0 EGADLP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(Cl)cn1 ZINC001206606296 1371107371 /nfs/dbraw/zinc/10/73/71/1371107371.db2.gz JKUVEFNHEGVFOZ-OAHLLOKOSA-N 2 2 325.884 3.486 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206767915 1371158446 /nfs/dbraw/zinc/15/84/46/1371158446.db2.gz GBXUWAXAFSMFJB-STQMWFEESA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206767915 1371158448 /nfs/dbraw/zinc/15/84/48/1371158448.db2.gz GBXUWAXAFSMFJB-STQMWFEESA-N 2 2 338.546 3.456 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)n1C ZINC001206793481 1371169255 /nfs/dbraw/zinc/16/92/55/1371169255.db2.gz YMRPTBYCMGTQFR-LJQANCHMSA-N 3 2 342.487 3.198 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](n2cncn2)C1 ZINC001118493246 1371189305 /nfs/dbraw/zinc/18/93/05/1371189305.db2.gz RKSLBEVVWWNTNP-NEPXVJNWSA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](n2cncn2)C1 ZINC001118493246 1371189307 /nfs/dbraw/zinc/18/93/07/1371189307.db2.gz RKSLBEVVWWNTNP-NEPXVJNWSA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)sc2C1 ZINC001118629172 1371208389 /nfs/dbraw/zinc/20/83/89/1371208389.db2.gz CFYBEKXZNCSGJM-ZBFHGGJFSA-N 2 2 333.545 3.480 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)sc2C1 ZINC001118629172 1371208390 /nfs/dbraw/zinc/20/83/90/1371208390.db2.gz CFYBEKXZNCSGJM-ZBFHGGJFSA-N 2 2 333.545 3.480 20 0 EGADLP Cc1csc([C@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC001118863053 1371242664 /nfs/dbraw/zinc/24/26/64/1371242664.db2.gz GNRGMIMXRQRXRQ-INIZCTEOSA-N 2 2 344.528 3.050 20 0 EGADLP CC[N@@H+]1CCC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206992407 1371261045 /nfs/dbraw/zinc/26/10/45/1371261045.db2.gz UJEQGPCKUZJJGB-NRFANRHFSA-N 3 2 329.532 3.363 20 0 EGADLP CC[N@H+]1CCC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206992407 1371261050 /nfs/dbraw/zinc/26/10/50/1371261050.db2.gz UJEQGPCKUZJJGB-NRFANRHFSA-N 3 2 329.532 3.363 20 0 EGADLP CCOC(=O)C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001207415527 1371388223 /nfs/dbraw/zinc/38/82/23/1371388223.db2.gz KCQRZOSZHHSXHM-UHFFFAOYSA-N 2 2 344.499 3.236 20 0 EGADLP CCOC(=O)C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001207415527 1371388227 /nfs/dbraw/zinc/38/82/27/1371388227.db2.gz KCQRZOSZHHSXHM-UHFFFAOYSA-N 2 2 344.499 3.236 20 0 EGADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](CCCCc2ccccc2)CC3)c1 ZINC001207612311 1371452142 /nfs/dbraw/zinc/45/21/42/1371452142.db2.gz UZRPSGHAXFVMHU-UHFFFAOYSA-N 2 2 349.482 3.009 20 0 EGADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](CCCCc2ccccc2)CC3)c1 ZINC001207612311 1371452144 /nfs/dbraw/zinc/45/21/44/1371452144.db2.gz UZRPSGHAXFVMHU-UHFFFAOYSA-N 2 2 349.482 3.009 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCN1C ZINC001207621748 1371454998 /nfs/dbraw/zinc/45/49/98/1371454998.db2.gz JCKKYRRRBIMFEC-SMMRIJLZSA-N 2 2 349.950 3.275 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001207621748 1371455001 /nfs/dbraw/zinc/45/50/01/1371455001.db2.gz JCKKYRRRBIMFEC-SMMRIJLZSA-N 2 2 349.950 3.275 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120068694 1371476913 /nfs/dbraw/zinc/47/69/13/1371476913.db2.gz NJIULALMTIOGIF-UHFFFAOYSA-N 2 2 334.508 3.106 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726770 1371487297 /nfs/dbraw/zinc/48/72/97/1371487297.db2.gz ALEGHXAOCNATPV-HZPDHXFCSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726770 1371487301 /nfs/dbraw/zinc/48/73/01/1371487301.db2.gz ALEGHXAOCNATPV-HZPDHXFCSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726770 1371487305 /nfs/dbraw/zinc/48/73/05/1371487305.db2.gz ALEGHXAOCNATPV-HZPDHXFCSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCSCC4)CC[C@H]32)n1 ZINC001207726770 1371487307 /nfs/dbraw/zinc/48/73/07/1371487307.db2.gz ALEGHXAOCNATPV-HZPDHXFCSA-N 2 2 337.558 3.183 20 0 EGADLP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001208228405 1371665317 /nfs/dbraw/zinc/66/53/17/1371665317.db2.gz ZAVYQEMBHPIYIX-HNNXBMFYSA-N 2 2 327.428 3.128 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421133 1371761870 /nfs/dbraw/zinc/76/18/70/1371761870.db2.gz WPYSRHYCLCSLKS-QGZUEGPWSA-N 2 2 326.444 3.113 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001208645200 1371850593 /nfs/dbraw/zinc/85/05/93/1371850593.db2.gz WFRDWQBORLLGSP-IBGZPJMESA-N 2 2 341.455 3.380 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001208645200 1371850598 /nfs/dbraw/zinc/85/05/98/1371850598.db2.gz WFRDWQBORLLGSP-IBGZPJMESA-N 2 2 341.455 3.380 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001208648454 1371851928 /nfs/dbraw/zinc/85/19/28/1371851928.db2.gz JAZJEAVDJKKRNH-KRWDZBQOSA-N 2 2 335.467 3.341 20 0 EGADLP COc1ccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001208762769 1371887901 /nfs/dbraw/zinc/88/79/01/1371887901.db2.gz XUXSEUNMPUXGGX-KRWDZBQOSA-N 2 2 342.439 3.103 20 0 EGADLP COc1ccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001208762769 1371887906 /nfs/dbraw/zinc/88/79/06/1371887906.db2.gz XUXSEUNMPUXGGX-KRWDZBQOSA-N 2 2 342.439 3.103 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892350 1371935287 /nfs/dbraw/zinc/93/52/87/1371935287.db2.gz OXHVHWYRHMFXKA-AGIUHOORSA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892350 1371935290 /nfs/dbraw/zinc/93/52/90/1371935290.db2.gz OXHVHWYRHMFXKA-AGIUHOORSA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892350 1371935291 /nfs/dbraw/zinc/93/52/91/1371935291.db2.gz OXHVHWYRHMFXKA-AGIUHOORSA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892350 1371935304 /nfs/dbraw/zinc/93/53/04/1371935304.db2.gz OXHVHWYRHMFXKA-AGIUHOORSA-N 2 2 333.423 3.238 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939069 1371953362 /nfs/dbraw/zinc/95/33/62/1371953362.db2.gz BJAJZIPFBLXHCN-IHPCNDPISA-N 2 2 346.515 3.418 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939069 1371953369 /nfs/dbraw/zinc/95/33/69/1371953369.db2.gz BJAJZIPFBLXHCN-IHPCNDPISA-N 2 2 346.515 3.418 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939069 1371953372 /nfs/dbraw/zinc/95/33/72/1371953372.db2.gz BJAJZIPFBLXHCN-IHPCNDPISA-N 2 2 346.515 3.418 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939069 1371953376 /nfs/dbraw/zinc/95/33/76/1371953376.db2.gz BJAJZIPFBLXHCN-IHPCNDPISA-N 2 2 346.515 3.418 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942983 1371957153 /nfs/dbraw/zinc/95/71/53/1371957153.db2.gz KONPKYDKMQBROS-YPAWHYETSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942983 1371957158 /nfs/dbraw/zinc/95/71/58/1371957158.db2.gz KONPKYDKMQBROS-YPAWHYETSA-N 3 2 341.543 3.172 20 0 EGADLP COC1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392092 1372088695 /nfs/dbraw/zinc/08/86/95/1372088695.db2.gz ZSPYZTPGHCEETN-JYSRZZCRSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)CC1 ZINC001209392092 1372088699 /nfs/dbraw/zinc/08/86/99/1372088699.db2.gz ZSPYZTPGHCEETN-JYSRZZCRSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)CC1 ZINC001209392092 1372088701 /nfs/dbraw/zinc/08/87/01/1372088701.db2.gz ZSPYZTPGHCEETN-JYSRZZCRSA-N 2 2 349.544 3.245 20 0 EGADLP COC1CCC(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1 ZINC001209392092 1372088706 /nfs/dbraw/zinc/08/87/06/1372088706.db2.gz ZSPYZTPGHCEETN-JYSRZZCRSA-N 2 2 349.544 3.245 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452201 1372109207 /nfs/dbraw/zinc/10/92/07/1372109207.db2.gz HJZUNOORCWRDAU-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452201 1372109208 /nfs/dbraw/zinc/10/92/08/1372109208.db2.gz HJZUNOORCWRDAU-IAGOWNOFSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001326478728 1388207770 /nfs/dbraw/zinc/20/77/70/1388207770.db2.gz DEDWZQAOCOGJHK-MRXNPFEDSA-N 2 2 340.471 3.040 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3cc(Cl)c4[nH+]ccn4c3)c2)CC1 ZINC001212711760 1372759154 /nfs/dbraw/zinc/75/91/54/1372759154.db2.gz QZLBMOGVBNDOEV-UHFFFAOYSA-N 2 2 341.846 3.483 20 0 EGADLP CCc1[nH+]ccc(C)c1Nc1ccc(N2CC[NH2+]CC2)cc1OC ZINC001213893674 1372975662 /nfs/dbraw/zinc/97/56/62/1372975662.db2.gz OZGCVNSPZUGYHY-UHFFFAOYSA-N 2 2 326.444 3.114 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214946477 1373146457 /nfs/dbraw/zinc/14/64/57/1373146457.db2.gz ZPILQUZPHSNXJM-ILJUCERVSA-N 2 2 346.519 3.110 20 0 EGADLP CC(C)Oc1ccc(-c2nnc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)o2)cc1 ZINC001217698721 1373489691 /nfs/dbraw/zinc/48/96/91/1373489691.db2.gz GGDQRDTWZJYCND-KRWDZBQOSA-N 2 2 338.411 3.149 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3sc(Cl)nc3c2)cc1 ZINC001218901394 1373666072 /nfs/dbraw/zinc/66/60/72/1373666072.db2.gz JJQSDUYKXDDVIY-GFCCVEGCSA-N 2 2 346.843 3.161 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC001131273434 1373673244 /nfs/dbraw/zinc/67/32/44/1373673244.db2.gz LVTCGNKCVLNMED-CYBMUJFWSA-N 2 2 342.830 3.068 20 0 EGADLP CC(C)C[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001220031469 1373747519 /nfs/dbraw/zinc/74/75/19/1373747519.db2.gz WCKZRMRUQNUOHP-OALUTQOASA-N 2 2 325.456 3.162 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001326687363 1388282984 /nfs/dbraw/zinc/28/29/84/1388282984.db2.gz GKZHJJBEMWKYAN-LJQANCHMSA-N 2 2 343.475 3.005 20 0 EGADLP Clc1cc(CN2CC[C@@]3(C2)CCCC[NH2+]3)ccc1-n1cc[nH+]c1 ZINC001222435418 1373843955 /nfs/dbraw/zinc/84/39/55/1373843955.db2.gz OPMUPYYGHLVSNS-GOSISDBHSA-N 2 2 330.863 3.244 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC1CCCC1 ZINC001132221726 1375219052 /nfs/dbraw/zinc/21/90/52/1375219052.db2.gz NGQCKNDGJVUGHO-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC1CCCC1 ZINC001132221726 1375219057 /nfs/dbraw/zinc/21/90/57/1375219057.db2.gz NGQCKNDGJVUGHO-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1=CCCCC1 ZINC001132221462 1375219361 /nfs/dbraw/zinc/21/93/61/1375219361.db2.gz IMXHCLBYSNNGKJ-IEBWSBKVSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1=CCCCC1 ZINC001132221462 1375219368 /nfs/dbraw/zinc/21/93/68/1375219368.db2.gz IMXHCLBYSNNGKJ-IEBWSBKVSA-N 2 2 344.503 3.133 20 0 EGADLP CC/C=C/CC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001227373026 1375424052 /nfs/dbraw/zinc/42/40/52/1375424052.db2.gz SZBSCAAJRVFEDZ-SNAWJCMRSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1=CCCCC1 ZINC001132547021 1375454314 /nfs/dbraw/zinc/45/43/14/1375454314.db2.gz WBIAYGUNNDEDMI-HKUYNNGSSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1=CCCCC1 ZINC001132547021 1375454319 /nfs/dbraw/zinc/45/43/19/1375454319.db2.gz WBIAYGUNNDEDMI-HKUYNNGSSA-N 2 2 344.503 3.133 20 0 EGADLP C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001132874682 1375615285 /nfs/dbraw/zinc/61/52/85/1375615285.db2.gz LKROGZJNVMXAIT-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001132874682 1375615291 /nfs/dbraw/zinc/61/52/91/1375615291.db2.gz LKROGZJNVMXAIT-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001132874683 1375615331 /nfs/dbraw/zinc/61/53/31/1375615331.db2.gz LKROGZJNVMXAIT-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001132874683 1375615334 /nfs/dbraw/zinc/61/53/34/1375615334.db2.gz LKROGZJNVMXAIT-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919037 1375643047 /nfs/dbraw/zinc/64/30/47/1375643047.db2.gz CDCZEEKBTZGADM-RDJZCZTQSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132919935 1375645221 /nfs/dbraw/zinc/64/52/21/1375645221.db2.gz OYNLQWTWQGEMPV-FUHWJXTLSA-N 2 2 348.535 3.191 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001229384156 1375824607 /nfs/dbraw/zinc/82/46/07/1375824607.db2.gz AMTVTGQMGKPLKH-INIZCTEOSA-N 2 2 334.508 3.241 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133241862 1375862910 /nfs/dbraw/zinc/86/29/10/1375862910.db2.gz LUBNGCFGLSRIGW-RDJZCZTQSA-N 2 2 348.535 3.198 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363295 1375945079 /nfs/dbraw/zinc/94/50/79/1375945079.db2.gz GLQGGDDARQMPLY-RTBURBONSA-N 2 2 348.535 3.318 20 0 EGADLP CCCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001133405695 1375991089 /nfs/dbraw/zinc/99/10/89/1375991089.db2.gz LOWNOHFIKGSVKT-UHFFFAOYSA-N 2 2 348.878 3.024 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001230434674 1376029637 /nfs/dbraw/zinc/02/96/37/1376029637.db2.gz QCYRLWFKJSGOAK-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP C[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C1CC[NH+](C)CC1 ZINC001231825398 1376321606 /nfs/dbraw/zinc/32/16/06/1376321606.db2.gz YHXOVRJJQJWJPM-UHFFFAOYSA-N 2 2 334.357 3.449 20 0 EGADLP C[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C1CC[NH+](C)CC1 ZINC001231825398 1376321611 /nfs/dbraw/zinc/32/16/11/1376321611.db2.gz YHXOVRJJQJWJPM-UHFFFAOYSA-N 2 2 334.357 3.449 20 0 EGADLP CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232012516 1376382774 /nfs/dbraw/zinc/38/27/74/1376382774.db2.gz JRNUUIOASPIDJJ-UHFFFAOYSA-N 2 2 342.443 3.006 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227660 1376423806 /nfs/dbraw/zinc/42/38/06/1376423806.db2.gz JEICJIYDMSYINF-HZPDHXFCSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545578 1376584499 /nfs/dbraw/zinc/58/44/99/1376584499.db2.gz PTTHAMBJBNVWPB-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545578 1376584504 /nfs/dbraw/zinc/58/45/04/1376584504.db2.gz PTTHAMBJBNVWPB-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730314 1376683350 /nfs/dbraw/zinc/68/33/50/1376683350.db2.gz VBVHOGYVYVPWOU-NKIGNDQYSA-N 2 2 334.508 3.156 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134733418 1376684743 /nfs/dbraw/zinc/68/47/43/1376684743.db2.gz ZIGYUEMXSBGGDD-HZPDHXFCSA-N 2 2 335.492 3.086 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134737331 1376688162 /nfs/dbraw/zinc/68/81/62/1376688162.db2.gz RCECRRJJLRIOTO-JBZXTQMFSA-N 2 2 328.460 3.406 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741268 1376691168 /nfs/dbraw/zinc/69/11/68/1376691168.db2.gz WHMLDNNLVVGGGA-GJZGRUSLSA-N 2 2 330.476 3.486 20 0 EGADLP c1ccc(C(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c2ccccc2)cc1 ZINC001235116774 1376850179 /nfs/dbraw/zinc/85/01/79/1376850179.db2.gz ZFDRICSVMUQJIW-JOCHJYFZSA-N 2 2 336.479 3.273 20 0 EGADLP c1ccc(C(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c2ccccc2)cc1 ZINC001235116774 1376850182 /nfs/dbraw/zinc/85/01/82/1376850182.db2.gz ZFDRICSVMUQJIW-JOCHJYFZSA-N 2 2 336.479 3.273 20 0 EGADLP c1cc(-c2cccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235122813 1376853410 /nfs/dbraw/zinc/85/34/10/1376853410.db2.gz ZJOBAGBFJIRBLT-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP c1cc(-c2cccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235122813 1376853414 /nfs/dbraw/zinc/85/34/14/1376853414.db2.gz ZJOBAGBFJIRBLT-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097920 1376895578 /nfs/dbraw/zinc/89/55/78/1376895578.db2.gz RRAKHNRAZUUAJD-HOTGVXAUSA-N 2 2 328.460 3.159 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CCC1CCCCC1 ZINC001135138332 1376928835 /nfs/dbraw/zinc/92/88/35/1376928835.db2.gz ZUNFTYVTTSQIQA-SJORKVTESA-N 2 2 334.508 3.117 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001236171524 1376937417 /nfs/dbraw/zinc/93/74/17/1376937417.db2.gz UERKWLVWLOPKTI-AWEZNQCLSA-N 2 2 332.245 3.044 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C1 ZINC001236171524 1376937422 /nfs/dbraw/zinc/93/74/22/1376937422.db2.gz UERKWLVWLOPKTI-AWEZNQCLSA-N 2 2 332.245 3.044 20 0 EGADLP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141927 1376977142 /nfs/dbraw/zinc/97/71/42/1376977142.db2.gz JSNTXGZVGGKBPN-FQEVSTJZSA-N 2 2 326.415 3.057 20 0 EGADLP Fc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237141927 1376977152 /nfs/dbraw/zinc/97/71/52/1376977152.db2.gz JSNTXGZVGGKBPN-FQEVSTJZSA-N 2 2 326.415 3.057 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c4c[nH]nc43)cc2)C1 ZINC001244400536 1377036942 /nfs/dbraw/zinc/03/69/42/1377036942.db2.gz VSHLJSPSUDMDPX-AWEZNQCLSA-N 2 2 326.831 3.416 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)c4c[nH]nc43)cc2)C1 ZINC001244400536 1377036944 /nfs/dbraw/zinc/03/69/44/1377036944.db2.gz VSHLJSPSUDMDPX-AWEZNQCLSA-N 2 2 326.831 3.416 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001245141934 1377043525 /nfs/dbraw/zinc/04/35/25/1377043525.db2.gz YECRCQFKLNSNEF-UHFFFAOYSA-N 2 2 325.387 3.055 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799792 1377214731 /nfs/dbraw/zinc/21/47/31/1377214731.db2.gz XRVZBHFJOOQZAG-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038162 1377462752 /nfs/dbraw/zinc/46/27/52/1377462752.db2.gz TYVPACMTGBJIDE-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038162 1377462756 /nfs/dbraw/zinc/46/27/56/1377462756.db2.gz TYVPACMTGBJIDE-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038162 1377462759 /nfs/dbraw/zinc/46/27/59/1377462759.db2.gz TYVPACMTGBJIDE-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001137038162 1377462762 /nfs/dbraw/zinc/46/27/62/1377462762.db2.gz TYVPACMTGBJIDE-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1cccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)[nH]nc21 ZINC001137148195 1377485964 /nfs/dbraw/zinc/48/59/64/1377485964.db2.gz VNKFGYKLRQUMKG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)[nH]nc21 ZINC001137148195 1377485968 /nfs/dbraw/zinc/48/59/68/1377485968.db2.gz VNKFGYKLRQUMKG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)[nH]nc21 ZINC001137148195 1377485970 /nfs/dbraw/zinc/48/59/70/1377485970.db2.gz VNKFGYKLRQUMKG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)[nH]nc21 ZINC001137148195 1377485973 /nfs/dbraw/zinc/48/59/73/1377485973.db2.gz VNKFGYKLRQUMKG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Clc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001137166846 1377489528 /nfs/dbraw/zinc/48/95/28/1377489528.db2.gz IZORFZAGIVNBQH-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001137166846 1377489530 /nfs/dbraw/zinc/48/95/30/1377489530.db2.gz IZORFZAGIVNBQH-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cn1 ZINC001137166846 1377489531 /nfs/dbraw/zinc/48/95/31/1377489531.db2.gz IZORFZAGIVNBQH-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cn1 ZINC001137166846 1377489533 /nfs/dbraw/zinc/48/95/33/1377489533.db2.gz IZORFZAGIVNBQH-IYBDPMFKSA-N 2 2 331.847 3.282 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[C@H]([NH+]4CCCCC4)[C@@H](F)C3)n2c1 ZINC001137313578 1377515174 /nfs/dbraw/zinc/51/51/74/1377515174.db2.gz GWOMKHBYWLKQGI-ROUUACIJSA-N 2 2 330.451 3.041 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001137316014 1377515993 /nfs/dbraw/zinc/51/59/93/1377515993.db2.gz WJPJDGXUXIBRQO-QZTJIDSGSA-N 2 2 332.451 3.127 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4c[nH]c5ncccc45)C3)C2)c1 ZINC001137400881 1377540985 /nfs/dbraw/zinc/54/09/85/1377540985.db2.gz JTRPTYMLVFZBAK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4c[nH]c5ncccc45)C3)C2)c1 ZINC001137400881 1377540987 /nfs/dbraw/zinc/54/09/87/1377540987.db2.gz JTRPTYMLVFZBAK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2c[nH]c4ncccc24)C3)c1 ZINC001137400881 1377540989 /nfs/dbraw/zinc/54/09/89/1377540989.db2.gz JTRPTYMLVFZBAK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2c[nH]c4ncccc24)C3)c1 ZINC001137400881 1377540990 /nfs/dbraw/zinc/54/09/90/1377540990.db2.gz JTRPTYMLVFZBAK-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP CCOc1cccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001138101072 1377676628 /nfs/dbraw/zinc/67/66/28/1377676628.db2.gz ILAHSEKDCXTHLN-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP CCOc1cccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001138101072 1377676630 /nfs/dbraw/zinc/67/66/30/1377676630.db2.gz ILAHSEKDCXTHLN-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC001138550148 1377740649 /nfs/dbraw/zinc/74/06/49/1377740649.db2.gz KZSHNTYHPHLCQD-UHFFFAOYSA-N 3 2 347.466 3.206 20 0 EGADLP CC[NH+](CC)C1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC001138565629 1377742880 /nfs/dbraw/zinc/74/28/80/1377742880.db2.gz OUZOZFKRGFMITA-UHFFFAOYSA-N 2 2 326.488 3.238 20 0 EGADLP c1cn(C2CC[NH+](Cc3cccc(Oc4ncccn4)c3)CC2)c[nH+]1 ZINC001138621467 1377754540 /nfs/dbraw/zinc/75/45/40/1377754540.db2.gz PYVJOPSFOHCSQM-UHFFFAOYSA-N 2 2 335.411 3.303 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138767661 1377781971 /nfs/dbraw/zinc/78/19/71/1377781971.db2.gz MVOAQBYYXYAMCG-FQEVSTJZSA-N 2 2 348.450 3.288 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC001138767661 1377781972 /nfs/dbraw/zinc/78/19/72/1377781972.db2.gz MVOAQBYYXYAMCG-FQEVSTJZSA-N 2 2 348.450 3.288 20 0 EGADLP F[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052435 1377822643 /nfs/dbraw/zinc/82/26/43/1377822643.db2.gz FAKNKHDTJQVJQQ-KRWDZBQOSA-N 2 2 342.405 3.088 20 0 EGADLP F[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052435 1377822645 /nfs/dbraw/zinc/82/26/45/1377822645.db2.gz FAKNKHDTJQVJQQ-KRWDZBQOSA-N 2 2 342.405 3.088 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074686 1377824446 /nfs/dbraw/zinc/82/44/46/1377824446.db2.gz PQLQTIPCUNIPOS-CQSZACIVSA-N 2 2 346.814 3.425 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001139074686 1377824447 /nfs/dbraw/zinc/82/44/47/1377824447.db2.gz PQLQTIPCUNIPOS-CQSZACIVSA-N 2 2 346.814 3.425 20 0 EGADLP CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356150 1377872765 /nfs/dbraw/zinc/87/27/65/1377872765.db2.gz FSPZKEQFYURDJP-KRWDZBQOSA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139356150 1377872767 /nfs/dbraw/zinc/87/27/67/1377872767.db2.gz FSPZKEQFYURDJP-KRWDZBQOSA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361275 1377874139 /nfs/dbraw/zinc/87/41/39/1377874139.db2.gz OGTJPBKNAWWYHH-WDSOQIARSA-N 2 2 339.439 3.036 20 0 EGADLP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139361275 1377874140 /nfs/dbraw/zinc/87/41/40/1377874140.db2.gz OGTJPBKNAWWYHH-WDSOQIARSA-N 2 2 339.439 3.036 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001139361607 1377874158 /nfs/dbraw/zinc/87/41/58/1377874158.db2.gz MSYRWJJSFDEKTL-INIZCTEOSA-N 2 2 326.444 3.090 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001139361607 1377874159 /nfs/dbraw/zinc/87/41/59/1377874159.db2.gz MSYRWJJSFDEKTL-INIZCTEOSA-N 2 2 326.444 3.090 20 0 EGADLP CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139360770 1377874366 /nfs/dbraw/zinc/87/43/66/1377874366.db2.gz GUPBTBYGGBDHJQ-UHFFFAOYSA-N 2 2 340.471 3.094 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](Oc4ccncc4)C3)cc2)c[nH+]1 ZINC001139363283 1377874605 /nfs/dbraw/zinc/87/46/05/1377874605.db2.gz AFLICVGMRUXECE-HXUWFJFHSA-N 2 2 334.423 3.311 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](Oc4ccncc4)C3)cc2)c[nH+]1 ZINC001139363283 1377874606 /nfs/dbraw/zinc/87/46/06/1377874606.db2.gz AFLICVGMRUXECE-HXUWFJFHSA-N 2 2 334.423 3.311 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(=O)[nH]c2)CC1 ZINC001139469978 1377889031 /nfs/dbraw/zinc/88/90/31/1377889031.db2.gz JWWJWARHHGXYTP-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(=O)[nH]c2)CC1 ZINC001139469978 1377889034 /nfs/dbraw/zinc/88/90/34/1377889034.db2.gz JWWJWARHHGXYTP-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP c1ccc2c(c1)cncc2C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001139894184 1377974443 /nfs/dbraw/zinc/97/44/43/1377974443.db2.gz NIOXHWIGPVPJQL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2c(c1)cncc2C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001139894184 1377974444 /nfs/dbraw/zinc/97/44/44/1377974444.db2.gz NIOXHWIGPVPJQL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2c(c1)cncc2C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139894184 1377974445 /nfs/dbraw/zinc/97/44/45/1377974445.db2.gz NIOXHWIGPVPJQL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2c(c1)cncc2C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139894184 1377974447 /nfs/dbraw/zinc/97/44/47/1377974447.db2.gz NIOXHWIGPVPJQL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805141 1378143204 /nfs/dbraw/zinc/14/32/04/1378143204.db2.gz TXJXGNGVWOLCAB-ZIAGYGMSSA-N 2 2 344.459 3.393 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140807302 1378146164 /nfs/dbraw/zinc/14/61/64/1378146164.db2.gz UJGDWAUOVOZJRM-LAUBAEHRSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140807302 1378146167 /nfs/dbraw/zinc/14/61/67/1378146167.db2.gz UJGDWAUOVOZJRM-LAUBAEHRSA-N 2 2 332.451 3.269 20 0 EGADLP Nc1cccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)n1 ZINC001276492108 1378176162 /nfs/dbraw/zinc/17/61/62/1378176162.db2.gz JYLDVOFDGASACX-HXUWFJFHSA-N 2 2 328.504 3.284 20 0 EGADLP Nc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C4CCCC4)C3)C2)n1 ZINC001276492108 1378176164 /nfs/dbraw/zinc/17/61/64/1378176164.db2.gz JYLDVOFDGASACX-HXUWFJFHSA-N 2 2 328.504 3.284 20 0 EGADLP Nc1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C4CCCC4)C3)C2)n1 ZINC001276492108 1378176170 /nfs/dbraw/zinc/17/61/70/1378176170.db2.gz JYLDVOFDGASACX-HXUWFJFHSA-N 2 2 328.504 3.284 20 0 EGADLP Nc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)n1 ZINC001276492108 1378176173 /nfs/dbraw/zinc/17/61/73/1378176173.db2.gz JYLDVOFDGASACX-HXUWFJFHSA-N 2 2 328.504 3.284 20 0 EGADLP CC[N@H+](Cc1ccncc1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001141085374 1378236776 /nfs/dbraw/zinc/23/67/76/1378236776.db2.gz FPOHYQZEVAYOCN-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP CC[N@@H+](Cc1ccncc1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001141085374 1378236783 /nfs/dbraw/zinc/23/67/83/1378236783.db2.gz FPOHYQZEVAYOCN-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccn4cc[nH+]c4c2)CC3)c1 ZINC001279357130 1378306799 /nfs/dbraw/zinc/30/67/99/1378306799.db2.gz HSKRUVVODLHKHO-UHFFFAOYSA-N 3 2 349.482 3.151 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770581 1378372651 /nfs/dbraw/zinc/37/26/51/1378372651.db2.gz SSLAYXCDOLJKNP-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770581 1378372655 /nfs/dbraw/zinc/37/26/55/1378372655.db2.gz SSLAYXCDOLJKNP-MSOLQXFVSA-N 2 2 348.535 3.006 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1Br)CC2 ZINC001142013646 1378404840 /nfs/dbraw/zinc/40/48/40/1378404840.db2.gz VABKUBKCARVATK-UHFFFAOYSA-N 2 2 345.231 3.255 20 0 EGADLP C[NH2+]Cc1ccc(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001142365554 1378436111 /nfs/dbraw/zinc/43/61/11/1378436111.db2.gz PWALTEDJVHINOG-DHZHZOJOSA-N 2 2 346.434 3.303 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C(F)(F)F ZINC001143349540 1378584777 /nfs/dbraw/zinc/58/47/77/1378584777.db2.gz JGPANLGHTJBNMA-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1C(F)(F)F ZINC001143349540 1378584781 /nfs/dbraw/zinc/58/47/81/1378584781.db2.gz JGPANLGHTJBNMA-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1C(F)(F)F ZINC001143349540 1378584785 /nfs/dbraw/zinc/58/47/85/1378584785.db2.gz JGPANLGHTJBNMA-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C(F)(F)F ZINC001143349540 1378584788 /nfs/dbraw/zinc/58/47/88/1378584788.db2.gz JGPANLGHTJBNMA-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(C)cn1 ZINC001143668549 1378632672 /nfs/dbraw/zinc/63/26/72/1378632672.db2.gz WSTPNHVIENYQGZ-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(C)cn1 ZINC001143668549 1378632674 /nfs/dbraw/zinc/63/26/74/1378632674.db2.gz WSTPNHVIENYQGZ-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCO[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)c1ccccc1 ZINC001146986527 1378952654 /nfs/dbraw/zinc/95/26/54/1378952654.db2.gz DSXHVJBCPSHQTQ-SFHVURJKSA-N 2 2 336.395 3.292 20 0 EGADLP CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766430 1379074338 /nfs/dbraw/zinc/07/43/38/1379074338.db2.gz ARBXIPQYNWFXMV-SFHVURJKSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766430 1379074344 /nfs/dbraw/zinc/07/43/44/1379074344.db2.gz ARBXIPQYNWFXMV-SFHVURJKSA-N 2 2 346.519 3.051 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC[C@H]1CC1(Cl)Cl ZINC001327950715 1388631688 /nfs/dbraw/zinc/63/16/88/1388631688.db2.gz VLVAVVLMAPUPES-NSHDSACASA-N 2 2 339.226 3.488 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001151969022 1379828224 /nfs/dbraw/zinc/82/82/24/1379828224.db2.gz UPEAPIDFTMSDRF-UHFFFAOYSA-N 2 2 338.455 3.044 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001151969022 1379828230 /nfs/dbraw/zinc/82/82/30/1379828230.db2.gz UPEAPIDFTMSDRF-UHFFFAOYSA-N 2 2 338.455 3.044 20 0 EGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930085 1380157341 /nfs/dbraw/zinc/15/73/41/1380157341.db2.gz GLCOOQTYGRIGNM-MSOLQXFVSA-N 2 2 336.524 3.343 20 0 EGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930085 1380157342 /nfs/dbraw/zinc/15/73/42/1380157342.db2.gz GLCOOQTYGRIGNM-MSOLQXFVSA-N 2 2 336.524 3.343 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154079017 1380200238 /nfs/dbraw/zinc/20/02/38/1380200238.db2.gz RCSOPWWYMFFTIZ-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154079017 1380200243 /nfs/dbraw/zinc/20/02/43/1380200243.db2.gz RCSOPWWYMFFTIZ-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493105 1380289992 /nfs/dbraw/zinc/28/99/92/1380289992.db2.gz WNOPSFMRQWFPCK-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493105 1380289993 /nfs/dbraw/zinc/28/99/93/1380289993.db2.gz WNOPSFMRQWFPCK-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528732 1380298447 /nfs/dbraw/zinc/29/84/47/1380298447.db2.gz GPVGLIYYGXZXAI-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528732 1380298449 /nfs/dbraw/zinc/29/84/49/1380298449.db2.gz GPVGLIYYGXZXAI-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP FC(F)(c1cc(Cl)nc(Cl)n1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155053398 1380399305 /nfs/dbraw/zinc/39/93/05/1380399305.db2.gz MVYRSWLKDCORRE-UHFFFAOYSA-N 2 2 348.184 3.045 20 0 EGADLP CC(C)c1cc2c(ncnc2-n2c[nH+]cc2C2CC[NH2+]CC2)s1 ZINC001155054479 1380399365 /nfs/dbraw/zinc/39/93/65/1380399365.db2.gz ZMAAPINQQQUISM-UHFFFAOYSA-N 2 2 327.457 3.467 20 0 EGADLP Cc1cccc2c(C)cc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC001155591329 1380470944 /nfs/dbraw/zinc/47/09/44/1380470944.db2.gz HNUFPXRZAPLARK-JXFKEZNVSA-N 2 2 325.456 3.422 20 0 EGADLP Cc1nc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc(C2CCCCC2)[nH+]1 ZINC001155598460 1380471639 /nfs/dbraw/zinc/47/16/39/1380471639.db2.gz OIFNIKSBCCPMGB-OXJNMPFZSA-N 2 2 344.503 3.403 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751931 1380488958 /nfs/dbraw/zinc/48/89/58/1380488958.db2.gz WJRWETUHSMUFBL-JKSUJKDBSA-N 2 2 336.524 3.241 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751931 1380488959 /nfs/dbraw/zinc/48/89/59/1380488959.db2.gz WJRWETUHSMUFBL-JKSUJKDBSA-N 2 2 336.524 3.241 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751931 1380488960 /nfs/dbraw/zinc/48/89/60/1380488960.db2.gz WJRWETUHSMUFBL-JKSUJKDBSA-N 2 2 336.524 3.241 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751931 1380488961 /nfs/dbraw/zinc/48/89/61/1380488961.db2.gz WJRWETUHSMUFBL-JKSUJKDBSA-N 2 2 336.524 3.241 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCC[C@@H]2CCC[N@H+](C)C2)c1)C1CC1 ZINC001156389378 1380569840 /nfs/dbraw/zinc/56/98/40/1380569840.db2.gz OVNPTRFPZFXUFR-YJBOKZPZSA-N 2 2 345.487 3.282 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)c1)C1CC1 ZINC001156389378 1380569843 /nfs/dbraw/zinc/56/98/43/1380569843.db2.gz OVNPTRFPZFXUFR-YJBOKZPZSA-N 2 2 345.487 3.282 20 0 EGADLP c1ccc(C[NH+]2CC(CNc3nc(N4CCCCC4)cc[nH+]3)C2)cc1 ZINC001156399457 1380571185 /nfs/dbraw/zinc/57/11/85/1380571185.db2.gz XZTLLPVFEXBSEA-UHFFFAOYSA-N 2 2 337.471 3.011 20 0 EGADLP Nc1cc(CNc2[nH+]cnc3c2ccn3Cc2ccccc2)cc[nH+]1 ZINC001156757627 1380627807 /nfs/dbraw/zinc/62/78/07/1380627807.db2.gz ZMCIWJZUDZKXAF-UHFFFAOYSA-N 2 2 330.395 3.069 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001157264034 1380826476 /nfs/dbraw/zinc/82/64/76/1380826476.db2.gz AEBQRTFLWVVTQO-UHFFFAOYSA-N 2 2 348.535 3.291 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+][C@H]3CCc4ccccc43)ccn12 ZINC001158062243 1381117973 /nfs/dbraw/zinc/11/79/73/1381117973.db2.gz QZMHQXOWJNMVQU-IBGZPJMESA-N 2 2 348.450 3.040 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C)n1cc[nH+]c1 ZINC001158107502 1381129777 /nfs/dbraw/zinc/12/97/77/1381129777.db2.gz SGGIWFIOZBSMIU-QZTJIDSGSA-N 2 2 334.508 3.192 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C)n1cc[nH+]c1 ZINC001158107502 1381129781 /nfs/dbraw/zinc/12/97/81/1381129781.db2.gz SGGIWFIOZBSMIU-QZTJIDSGSA-N 2 2 334.508 3.192 20 0 EGADLP CCOC(=O)c1c[nH]c2cc(NCCc3cn4ccccc4[nH+]3)[nH+]cc21 ZINC001158144756 1381140608 /nfs/dbraw/zinc/14/06/08/1381140608.db2.gz BXOCXRVTAOSBJN-UHFFFAOYSA-N 2 2 349.394 3.042 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158271933 1381181206 /nfs/dbraw/zinc/18/12/06/1381181206.db2.gz NVMCPSZSOYPMQB-DNVCBOLYSA-N 2 2 333.476 3.143 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571661 1381303928 /nfs/dbraw/zinc/30/39/28/1381303928.db2.gz VLNUCKLOZVRCDG-FUHWJXTLSA-N 2 2 334.508 3.091 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571661 1381303932 /nfs/dbraw/zinc/30/39/32/1381303932.db2.gz VLNUCKLOZVRCDG-FUHWJXTLSA-N 2 2 334.508 3.091 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571661 1381303939 /nfs/dbraw/zinc/30/39/39/1381303939.db2.gz VLNUCKLOZVRCDG-FUHWJXTLSA-N 2 2 334.508 3.091 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571661 1381303946 /nfs/dbraw/zinc/30/39/46/1381303946.db2.gz VLNUCKLOZVRCDG-FUHWJXTLSA-N 2 2 334.508 3.091 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744095 1381379285 /nfs/dbraw/zinc/37/92/85/1381379285.db2.gz AVILOJKFGHGFMY-IPLHWJFFSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158744095 1381379291 /nfs/dbraw/zinc/37/92/91/1381379291.db2.gz AVILOJKFGHGFMY-IPLHWJFFSA-N 2 2 346.519 3.022 20 0 EGADLP [NH3+]C1CCN(c2[nH+]cccc2Nc2ccc([C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001159261322 1381746350 /nfs/dbraw/zinc/74/63/50/1381746350.db2.gz GYMMARWKCOPZKQ-SFHVURJKSA-N 3 2 337.471 3.177 20 0 EGADLP COc1c(C)cc(C)cc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159324151 1381762406 /nfs/dbraw/zinc/76/24/06/1381762406.db2.gz VWRNTTAOBCFCEV-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP [NH3+][C@@H]1CCCN(c2ccccc2Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001159978558 1381957182 /nfs/dbraw/zinc/95/71/82/1381957182.db2.gz UKNAXSYQSINTEV-MRXNPFEDSA-N 2 2 337.471 3.353 20 0 EGADLP CC(C)=CC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491311 1382120552 /nfs/dbraw/zinc/12/05/52/1382120552.db2.gz BOACQZCJRUBMDP-UHFFFAOYSA-N 2 2 338.455 3.281 20 0 EGADLP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491311 1382120556 /nfs/dbraw/zinc/12/05/56/1382120556.db2.gz BOACQZCJRUBMDP-UHFFFAOYSA-N 2 2 338.455 3.281 20 0 EGADLP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491343 1382121054 /nfs/dbraw/zinc/12/10/54/1382121054.db2.gz CGBHYWHHJBALTH-HNNXBMFYSA-N 2 2 340.471 3.361 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491343 1382121058 /nfs/dbraw/zinc/12/10/58/1382121058.db2.gz CGBHYWHHJBALTH-HNNXBMFYSA-N 2 2 340.471 3.361 20 0 EGADLP Cc1csc(CCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)n1 ZINC001293587706 1382308128 /nfs/dbraw/zinc/30/81/28/1382308128.db2.gz BVQFPEVMGSODAL-UHFFFAOYSA-N 2 2 341.440 3.302 20 0 EGADLP Nc1cc(Cl)[nH+]c(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC001161131430 1382312388 /nfs/dbraw/zinc/31/23/88/1382312388.db2.gz LHWIDSMFQMPURF-UHFFFAOYSA-N 2 2 332.835 3.099 20 0 EGADLP Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC001161239964 1382351636 /nfs/dbraw/zinc/35/16/36/1382351636.db2.gz CIBSKUPWUFTUTO-UHFFFAOYSA-N 2 2 332.492 3.211 20 0 EGADLP COc1ccc(C)[nH+]c1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161243610 1382352467 /nfs/dbraw/zinc/35/24/67/1382352467.db2.gz UXRLMKDMRSYYQP-UHFFFAOYSA-N 2 2 326.444 3.118 20 0 EGADLP C[C@H](CC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001161356096 1382381122 /nfs/dbraw/zinc/38/11/22/1382381122.db2.gz AVUSQLUZSVKCOA-QGZVFWFLSA-N 2 2 344.503 3.163 20 0 EGADLP C[C@H](CC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001161356096 1382381125 /nfs/dbraw/zinc/38/11/25/1382381125.db2.gz AVUSQLUZSVKCOA-QGZVFWFLSA-N 2 2 344.503 3.163 20 0 EGADLP COc1ccc(Cn2c[nH+]cc2CNc2cc3[nH]ccc3c[nH+]2)cc1 ZINC001161505158 1382425603 /nfs/dbraw/zinc/42/56/03/1382425603.db2.gz PFAOCDCTHANCEA-UHFFFAOYSA-N 2 2 333.395 3.428 20 0 EGADLP c1[nH+]c2cc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)ccc2n1-c1ccccc1 ZINC001163320951 1383021892 /nfs/dbraw/zinc/02/18/92/1383021892.db2.gz AWPKFAVDHISPEQ-UWJYYQICSA-N 2 2 348.450 3.349 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001163593610 1383084670 /nfs/dbraw/zinc/08/46/70/1383084670.db2.gz NIFCZODABJCQHJ-KRWDZBQOSA-N 2 2 348.878 3.174 20 0 EGADLP c1ccn(-c2ccc[nH+]c2NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001163908863 1383134928 /nfs/dbraw/zinc/13/49/28/1383134928.db2.gz NAYISNXRPDKIKL-UHFFFAOYSA-N 2 2 333.439 3.346 20 0 EGADLP Cc1cc(NCc2cccnc2C2CC[NH2+]CC2)cc(OC(F)F)[nH+]1 ZINC001163914747 1383135444 /nfs/dbraw/zinc/13/54/44/1383135444.db2.gz GDNKQRQINSAYHM-UHFFFAOYSA-N 2 2 348.397 3.466 20 0 EGADLP c1ccc([C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)c2ccncc2)cc1 ZINC001164068197 1383152802 /nfs/dbraw/zinc/15/28/02/1383152802.db2.gz NXJWPJQZXOEXOR-HXUWFJFHSA-N 2 2 345.450 3.088 20 0 EGADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC(F)(F)C2)nc1 ZINC001164502605 1383194041 /nfs/dbraw/zinc/19/40/41/1383194041.db2.gz YWOOORZZIXQWFS-INIZCTEOSA-N 2 2 338.446 3.064 20 0 EGADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC(F)(F)C2)nc1 ZINC001164502605 1383194043 /nfs/dbraw/zinc/19/40/43/1383194043.db2.gz YWOOORZZIXQWFS-INIZCTEOSA-N 2 2 338.446 3.064 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001165108802 1383229565 /nfs/dbraw/zinc/22/95/65/1383229565.db2.gz HTAQTZXFUVOUCP-GOSISDBHSA-N 2 2 331.504 3.459 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001165108802 1383229570 /nfs/dbraw/zinc/22/95/70/1383229570.db2.gz HTAQTZXFUVOUCP-GOSISDBHSA-N 2 2 331.504 3.459 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(F)cc3ccc(Cl)nc31)CC[NH2+]CC2 ZINC001165353666 1383280266 /nfs/dbraw/zinc/28/02/66/1383280266.db2.gz UQMKDOXTQDPUKP-UHFFFAOYSA-N 2 2 330.794 3.210 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)nc3cccc(Cl)c31)CC[NH2+]CC2 ZINC001165352571 1383280523 /nfs/dbraw/zinc/28/05/23/1383280523.db2.gz CRDOQTCKABRFIQ-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)nc3ccc(Cl)cc31)CC[NH2+]CC2 ZINC001165352148 1383280597 /nfs/dbraw/zinc/28/05/97/1383280597.db2.gz QRIBSDZMSJEAQZ-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)cc3cccc(F)c31)CC[NH2+]CC2 ZINC001165357248 1383281933 /nfs/dbraw/zinc/28/19/33/1383281933.db2.gz WXDKNJQCWAYXFO-UHFFFAOYSA-N 2 2 330.794 3.210 20 0 EGADLP CSc1c[nH]c2nc[nH+]c(NCC3C[NH+](Cc4ccccc4)C3)c12 ZINC001165427363 1383293733 /nfs/dbraw/zinc/29/37/33/1383293733.db2.gz OMECNRCUWOIVMZ-UHFFFAOYSA-N 2 2 339.468 3.175 20 0 EGADLP Cc1cccc2cc[nH+]c(N3CCc4onc(Cn5cc[nH+]c5)c4C3)c12 ZINC001165548717 1383309263 /nfs/dbraw/zinc/30/92/63/1383309263.db2.gz QMGBDBVHUHJECI-UHFFFAOYSA-N 2 2 345.406 3.339 20 0 EGADLP CC(C)CCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348716 1383606671 /nfs/dbraw/zinc/60/66/71/1383606671.db2.gz RRTGKZOJRLXHHM-QGZVFWFLSA-N 2 2 334.508 3.147 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001167429050 1383631695 /nfs/dbraw/zinc/63/16/95/1383631695.db2.gz PPUMLDIDITYKTO-ZWKOTPCHSA-N 2 2 342.487 3.308 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl)n1cc[nH+]c1 ZINC001167435908 1383633738 /nfs/dbraw/zinc/63/37/38/1383633738.db2.gz UGLRTSWEOAWNMD-HUUCEWRRSA-N 2 2 348.878 3.345 20 0 EGADLP C(C1CC1)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001167970438 1383782664 /nfs/dbraw/zinc/78/26/64/1383782664.db2.gz LBNSGAQSNFNMOL-VCSGRIEYSA-N 3 2 331.548 3.388 20 0 EGADLP C(C1CC1)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C1CC[NH+](C3CCCC3)CC1)C2 ZINC001167970438 1383782667 /nfs/dbraw/zinc/78/26/67/1383782667.db2.gz LBNSGAQSNFNMOL-VCSGRIEYSA-N 3 2 331.548 3.388 20 0 EGADLP Fc1ccccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167992007 1383789862 /nfs/dbraw/zinc/78/98/62/1383789862.db2.gz GKJWGLUNLIIGJZ-DFNIBXOVSA-N 2 2 343.490 3.353 20 0 EGADLP Fc1ccccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167992007 1383789865 /nfs/dbraw/zinc/78/98/65/1383789865.db2.gz GKJWGLUNLIIGJZ-DFNIBXOVSA-N 2 2 343.490 3.353 20 0 EGADLP C[C@@H]1CC([NH2+][C@@H](CO)c2ccncc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030791 1383799878 /nfs/dbraw/zinc/79/98/78/1383799878.db2.gz XODGRYYBIOWYIZ-LZJOCLMNSA-N 2 2 339.483 3.146 20 0 EGADLP COc1ccc2c(c1)C[C@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168286154 1383863628 /nfs/dbraw/zinc/86/36/28/1383863628.db2.gz ISJFTEXSONHLKM-HXUWFJFHSA-N 2 2 333.435 3.480 20 0 EGADLP COc1ccc2c(c1)C[C@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001168286154 1383863633 /nfs/dbraw/zinc/86/36/33/1383863633.db2.gz ISJFTEXSONHLKM-HXUWFJFHSA-N 2 2 333.435 3.480 20 0 EGADLP Cc1cccn2cc(CC(=O)NCCC[NH2+]CCCC(C)(C)C)[nH+]c12 ZINC001168363532 1383883275 /nfs/dbraw/zinc/88/32/75/1383883275.db2.gz IHBMCOGAAIBQNV-UHFFFAOYSA-N 2 2 344.503 3.107 20 0 EGADLP COC(=O)C1(C)CCC([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001168797056 1384008260 /nfs/dbraw/zinc/00/82/60/1384008260.db2.gz QDQSQWPPJRZTMV-UHFFFAOYSA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)C1(C)CCC([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001168797056 1384008263 /nfs/dbraw/zinc/00/82/63/1384008263.db2.gz QDQSQWPPJRZTMV-UHFFFAOYSA-N 2 2 336.520 3.447 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307668938 1384010487 /nfs/dbraw/zinc/01/04/87/1384010487.db2.gz JENHXNQUFRPPHH-KGLIPLIRSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307668938 1384010494 /nfs/dbraw/zinc/01/04/94/1384010494.db2.gz JENHXNQUFRPPHH-KGLIPLIRSA-N 2 2 344.425 3.188 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307676789 1384011874 /nfs/dbraw/zinc/01/18/74/1384011874.db2.gz QFKZNDXCAMQSDB-RBUKOAKNSA-N 2 2 347.503 3.355 20 0 EGADLP CC1=Nc2ccc3cc(-n4c[nH+]cc4C[C@@H]([NH3+])CO)ccc3c2C1(C)C ZINC001169074607 1384103416 /nfs/dbraw/zinc/10/34/16/1384103416.db2.gz UHEIDAMOAABNCC-OAHLLOKOSA-N 2 2 348.450 3.271 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169108531 1384108194 /nfs/dbraw/zinc/10/81/94/1384108194.db2.gz ARZLZYHKJVWRGC-OWZKRDHZSA-N 2 2 345.506 3.313 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169108531 1384108196 /nfs/dbraw/zinc/10/81/96/1384108196.db2.gz ARZLZYHKJVWRGC-OWZKRDHZSA-N 2 2 345.506 3.313 20 0 EGADLP Cc1ccccc1C(=O)N1CCC([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001308217757 1384109877 /nfs/dbraw/zinc/10/98/77/1384109877.db2.gz SQMGRUWRMPGAJN-GOSISDBHSA-N 2 2 343.515 3.064 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(=O)c4ccc(F)cc43)CC1)C2 ZINC001169127995 1384110815 /nfs/dbraw/zinc/11/08/15/1384110815.db2.gz BAIYCLGUPZSOBC-BJWYYQGGSA-N 2 2 342.458 3.371 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC(=O)c4ccc(F)cc43)CC1)C2 ZINC001169127995 1384110817 /nfs/dbraw/zinc/11/08/17/1384110817.db2.gz BAIYCLGUPZSOBC-BJWYYQGGSA-N 2 2 342.458 3.371 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)n2)CC1 ZINC001169229852 1384125341 /nfs/dbraw/zinc/12/53/41/1384125341.db2.gz HCYVRANTTOAAOW-UHFFFAOYSA-N 2 2 332.673 3.071 20 0 EGADLP CCOC(=O)N1CCC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001169671953 1384171470 /nfs/dbraw/zinc/17/14/70/1384171470.db2.gz KDRZHISWISBVRB-KRWDZBQOSA-N 2 2 342.443 3.192 20 0 EGADLP CC1(C)CC(C[NH2+]CCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001170023037 1384220014 /nfs/dbraw/zinc/22/00/14/1384220014.db2.gz OIWWYLRUUCSWBE-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP CC(C)CCC[C@@H](C)[NH+]1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001170072235 1384229200 /nfs/dbraw/zinc/22/92/00/1384229200.db2.gz ZPQVQVGNARSWEN-GOSISDBHSA-N 2 2 345.531 3.311 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144371 1384247654 /nfs/dbraw/zinc/24/76/54/1384247654.db2.gz ILRDTGNPUOMBFJ-SKWUIDRYSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144371 1384247657 /nfs/dbraw/zinc/24/76/57/1384247657.db2.gz ILRDTGNPUOMBFJ-SKWUIDRYSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144371 1384247663 /nfs/dbraw/zinc/24/76/63/1384247663.db2.gz ILRDTGNPUOMBFJ-SKWUIDRYSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144371 1384247665 /nfs/dbraw/zinc/24/76/65/1384247665.db2.gz ILRDTGNPUOMBFJ-SKWUIDRYSA-N 2 2 349.544 3.163 20 0 EGADLP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001311247019 1384269800 /nfs/dbraw/zinc/26/98/00/1384269800.db2.gz GVKWAGHBDALVAK-MRXNPFEDSA-N 2 2 345.491 3.020 20 0 EGADLP C[NH+]1C(C)(C)CC(Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CC1(C)C ZINC001170453883 1384322918 /nfs/dbraw/zinc/32/29/18/1384322918.db2.gz OPLJFNUBOOUXPQ-QGZVFWFLSA-N 3 2 344.547 3.283 20 0 EGADLP C[NH+]1C(C)(C)CC(Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)CC1(C)C ZINC001170453883 1384322919 /nfs/dbraw/zinc/32/29/19/1384322919.db2.gz OPLJFNUBOOUXPQ-QGZVFWFLSA-N 3 2 344.547 3.283 20 0 EGADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cc(F)ccc3C)CC2)C1 ZINC001170525858 1384335523 /nfs/dbraw/zinc/33/55/23/1384335523.db2.gz VJFJHMUSCIEJNH-DNVCBOLYSA-N 2 2 348.462 3.030 20 0 EGADLP Brc1ccc2c(c1)C[C@@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001170869110 1384401871 /nfs/dbraw/zinc/40/18/71/1384401871.db2.gz NVWDPNNMRXRDLE-INIZCTEOSA-N 2 2 347.256 3.370 20 0 EGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)C2 ZINC001171109686 1384447619 /nfs/dbraw/zinc/44/76/19/1384447619.db2.gz LHSINAPGNDZYOP-ROUUACIJSA-N 2 2 334.891 3.040 20 0 EGADLP Clc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)C2 ZINC001171109686 1384447621 /nfs/dbraw/zinc/44/76/21/1384447621.db2.gz LHSINAPGNDZYOP-ROUUACIJSA-N 2 2 334.891 3.040 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150942 1384455400 /nfs/dbraw/zinc/45/54/00/1384455400.db2.gz FJCJXGBSEXZMMR-INIZCTEOSA-N 2 2 336.524 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150942 1384455402 /nfs/dbraw/zinc/45/54/02/1384455402.db2.gz FJCJXGBSEXZMMR-INIZCTEOSA-N 2 2 336.524 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359314 1384502179 /nfs/dbraw/zinc/50/21/79/1384502179.db2.gz QYYHHSCEPXCMAJ-KBAYOESNSA-N 2 2 344.503 3.278 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359314 1384502182 /nfs/dbraw/zinc/50/21/82/1384502182.db2.gz QYYHHSCEPXCMAJ-KBAYOESNSA-N 2 2 344.503 3.278 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486228 1384537524 /nfs/dbraw/zinc/53/75/24/1384537524.db2.gz JKDAQKZWTJEFIA-KEGWNNHHSA-N 2 2 347.503 3.254 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]Cc1ccc3[nH+]ccn3c1)CC2 ZINC001171527738 1384551899 /nfs/dbraw/zinc/55/18/99/1384551899.db2.gz DZVZEVUQEWKXFO-ZDUSSCGKSA-N 2 2 331.341 3.399 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171597410 1384574716 /nfs/dbraw/zinc/57/47/16/1384574716.db2.gz YHVYBYWREIBMGT-VMLVWOMUSA-N 2 2 346.519 3.066 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171606045 1384578022 /nfs/dbraw/zinc/57/80/22/1384578022.db2.gz SXAZPEWGWAMWGC-VMLVWOMUSA-N 2 2 346.519 3.066 20 0 EGADLP CCOCc1noc2c1C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171636856 1384588334 /nfs/dbraw/zinc/58/83/34/1384588334.db2.gz IIZFIWYREPJUSS-UHFFFAOYSA-N 2 2 335.492 3.221 20 0 EGADLP CCOCc1noc2c1C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171636856 1384588337 /nfs/dbraw/zinc/58/83/37/1384588337.db2.gz IIZFIWYREPJUSS-UHFFFAOYSA-N 2 2 335.492 3.221 20 0 EGADLP C[N@H+](C1CN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639923 1384588751 /nfs/dbraw/zinc/58/87/51/1384588751.db2.gz VKRSICPHRKQDEH-UHFFFAOYSA-N 2 2 339.524 3.189 20 0 EGADLP C[N@@H+](C1CN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639923 1384588757 /nfs/dbraw/zinc/58/87/57/1384588757.db2.gz VKRSICPHRKQDEH-UHFFFAOYSA-N 2 2 339.524 3.189 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171779726 1384633855 /nfs/dbraw/zinc/63/38/55/1384633855.db2.gz RORIIPJZMRRYLF-INIZCTEOSA-N 2 2 330.476 3.259 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CC12CCC2 ZINC001171829967 1384653282 /nfs/dbraw/zinc/65/32/82/1384653282.db2.gz QBJIIXZJLRKKJZ-INIZCTEOSA-N 2 2 348.491 3.185 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H](CO)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975019 1384701154 /nfs/dbraw/zinc/70/11/54/1384701154.db2.gz KDQPTKUWJASYIF-WOJBJXKFSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H](CO)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171975019 1384701155 /nfs/dbraw/zinc/70/11/55/1384701155.db2.gz KDQPTKUWJASYIF-WOJBJXKFSA-N 2 2 339.483 3.148 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001172075376 1384719322 /nfs/dbraw/zinc/71/93/22/1384719322.db2.gz QHJBCWRAOCUEMJ-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001172075376 1384719324 /nfs/dbraw/zinc/71/93/24/1384719324.db2.gz QHJBCWRAOCUEMJ-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCCC24COC4)C3)cc1 ZINC001172075376 1384719326 /nfs/dbraw/zinc/71/93/26/1384719326.db2.gz QHJBCWRAOCUEMJ-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCCC24COC4)C3)cc1 ZINC001172075376 1384719331 /nfs/dbraw/zinc/71/93/31/1384719331.db2.gz QHJBCWRAOCUEMJ-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172077520 1384721597 /nfs/dbraw/zinc/72/15/97/1384721597.db2.gz GJCYTNBLBDSVTD-BJWYYQGGSA-N 2 2 339.524 3.238 20 0 EGADLP Cn1cc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172080381 1384723118 /nfs/dbraw/zinc/72/31/18/1384723118.db2.gz UXFMAKFZQJXTGM-AERCQKQUSA-N 2 2 338.499 3.438 20 0 EGADLP Cn1cc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)cn1 ZINC001172080381 1384723123 /nfs/dbraw/zinc/72/31/23/1384723123.db2.gz UXFMAKFZQJXTGM-AERCQKQUSA-N 2 2 338.499 3.438 20 0 EGADLP Cn1cc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172080381 1384723134 /nfs/dbraw/zinc/72/31/34/1384723134.db2.gz UXFMAKFZQJXTGM-AERCQKQUSA-N 2 2 338.499 3.438 20 0 EGADLP Cn1cc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172080381 1384723136 /nfs/dbraw/zinc/72/31/36/1384723136.db2.gz UXFMAKFZQJXTGM-AERCQKQUSA-N 2 2 338.499 3.438 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109139 1384728073 /nfs/dbraw/zinc/72/80/73/1384728073.db2.gz BOBRHVAPVVUFNB-NMLBUPMWSA-N 2 2 342.483 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109139 1384728077 /nfs/dbraw/zinc/72/80/77/1384728077.db2.gz BOBRHVAPVVUFNB-NMLBUPMWSA-N 2 2 342.483 3.210 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109139 1384728079 /nfs/dbraw/zinc/72/80/79/1384728079.db2.gz BOBRHVAPVVUFNB-NMLBUPMWSA-N 2 2 342.483 3.210 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1C(=O)OCc1ccccc1)C2 ZINC001172109139 1384728082 /nfs/dbraw/zinc/72/80/82/1384728082.db2.gz BOBRHVAPVVUFNB-NMLBUPMWSA-N 2 2 342.483 3.210 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120178 1384732957 /nfs/dbraw/zinc/73/29/57/1384732957.db2.gz ACFROAQBBSKNMR-YRPNKDGESA-N 2 2 332.463 3.388 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120178 1384732961 /nfs/dbraw/zinc/73/29/61/1384732961.db2.gz ACFROAQBBSKNMR-YRPNKDGESA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120178 1384732964 /nfs/dbraw/zinc/73/29/64/1384732964.db2.gz ACFROAQBBSKNMR-YRPNKDGESA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120178 1384732966 /nfs/dbraw/zinc/73/29/66/1384732966.db2.gz ACFROAQBBSKNMR-YRPNKDGESA-N 2 2 332.463 3.388 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722682 1384837748 /nfs/dbraw/zinc/83/77/48/1384837748.db2.gz ZMROAJDINBWIHG-VQTJNVASSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172722682 1384837754 /nfs/dbraw/zinc/83/77/54/1384837754.db2.gz ZMROAJDINBWIHG-VQTJNVASSA-N 2 2 348.918 3.382 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059873 1384904379 /nfs/dbraw/zinc/90/43/79/1384904379.db2.gz LIQSOSJNYIEVKL-ZACQAIPSSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059873 1384904383 /nfs/dbraw/zinc/90/43/83/1384904383.db2.gz LIQSOSJNYIEVKL-ZACQAIPSSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059869 1384904429 /nfs/dbraw/zinc/90/44/29/1384904429.db2.gz LIQSOSJNYIEVKL-IKGGRYGDSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059869 1384904432 /nfs/dbraw/zinc/90/44/32/1384904432.db2.gz LIQSOSJNYIEVKL-IKGGRYGDSA-N 2 2 339.524 3.094 20 0 EGADLP COc1cccc2c1C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1ccccc1)CO2 ZINC001173148577 1384924300 /nfs/dbraw/zinc/92/43/00/1384924300.db2.gz JVEUGASSYVFYOP-MJGOQNOKSA-N 2 2 340.467 3.281 20 0 EGADLP COC(=O)CCCC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442624 1384971255 /nfs/dbraw/zinc/97/12/55/1384971255.db2.gz GTLVHSVQNQBADL-ULQDDVLXSA-N 2 2 333.476 3.280 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173624097 1384990560 /nfs/dbraw/zinc/99/05/60/1384990560.db2.gz XPQNDBRSAGBNFW-DLBZAZTESA-N 2 2 327.428 3.084 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001173649214 1384995669 /nfs/dbraw/zinc/99/56/69/1384995669.db2.gz MMKWPVRKVWVCFR-RTBURBONSA-N 2 2 348.531 3.449 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173649214 1384995672 /nfs/dbraw/zinc/99/56/72/1384995672.db2.gz MMKWPVRKVWVCFR-RTBURBONSA-N 2 2 348.531 3.449 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)[C@H](C)c3ccccc3)ccn12 ZINC001317446157 1385146176 /nfs/dbraw/zinc/14/61/76/1385146176.db2.gz WZIQINHPSQJNAM-MRXNPFEDSA-N 2 2 336.439 3.066 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)[C@H](C)c3ccccc3)ccn12 ZINC001317446157 1385146178 /nfs/dbraw/zinc/14/61/78/1385146178.db2.gz WZIQINHPSQJNAM-MRXNPFEDSA-N 2 2 336.439 3.066 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513110 1385226599 /nfs/dbraw/zinc/22/65/99/1385226599.db2.gz GVAZFURJHCKURG-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001317513110 1385226602 /nfs/dbraw/zinc/22/66/02/1385226602.db2.gz GVAZFURJHCKURG-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881271 1385428793 /nfs/dbraw/zinc/42/87/93/1385428793.db2.gz MVODROJMWXEXQK-CABCVRRESA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](CCCC[NH2+]CCCF)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175994011 1385455390 /nfs/dbraw/zinc/45/53/90/1385455390.db2.gz ZOYDFPPTEXQKER-MRXNPFEDSA-N 2 2 346.450 3.110 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001176174503 1385502596 /nfs/dbraw/zinc/50/25/96/1385502596.db2.gz GVVUTRRMSGJFTD-MRXNPFEDSA-N 2 2 336.524 3.054 20 0 EGADLP CCN(C)c1ccc(Nc2ccc(OCCC[NH+](C)C)nc2)c[nH+]1 ZINC001176352328 1385560666 /nfs/dbraw/zinc/56/06/66/1385560666.db2.gz IXJALRFOQXFNFJ-UHFFFAOYSA-N 2 2 329.448 3.007 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001176810692 1385710480 /nfs/dbraw/zinc/71/04/80/1385710480.db2.gz NFWASQOFCSPDTR-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC001176810463 1385710516 /nfs/dbraw/zinc/71/05/16/1385710516.db2.gz KXDIABGZVPUTTH-KRWDZBQOSA-N 2 2 336.524 3.364 20 0 EGADLP CCC(CC)C[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492504 1385978197 /nfs/dbraw/zinc/97/81/97/1385978197.db2.gz KTZURTVKQCURMG-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1cccc(Cl)c1 ZINC001319252234 1386026447 /nfs/dbraw/zinc/02/64/47/1386026447.db2.gz YSUMWJSBYJHBDO-CABCVRRESA-N 2 2 348.878 3.030 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1Cl ZINC001177749413 1386033281 /nfs/dbraw/zinc/03/32/81/1386033281.db2.gz UBDBZRNUIKSRAV-CHWSQXEVSA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1Cl ZINC001177749413 1386033283 /nfs/dbraw/zinc/03/32/83/1386033283.db2.gz UBDBZRNUIKSRAV-CHWSQXEVSA-N 2 2 348.796 3.312 20 0 EGADLP Cc1noc(C)c1[C@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319455477 1386129239 /nfs/dbraw/zinc/12/92/39/1386129239.db2.gz VXEUJGZTZLTCGF-LLVKDONJSA-N 2 2 339.399 3.313 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001178345124 1386193722 /nfs/dbraw/zinc/19/37/22/1386193722.db2.gz CAORDHHTZAPPPE-FGTMMUONSA-N 2 2 346.519 3.045 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001178649344 1386268626 /nfs/dbraw/zinc/26/86/26/1386268626.db2.gz CBUMGUKSBSWHRN-KURKYZTESA-N 2 2 346.519 3.045 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001178649344 1386268627 /nfs/dbraw/zinc/26/86/27/1386268627.db2.gz CBUMGUKSBSWHRN-KURKYZTESA-N 2 2 346.519 3.045 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178703696 1386284178 /nfs/dbraw/zinc/28/41/78/1386284178.db2.gz CRPNCNALAZRBQJ-YJBOKZPZSA-N 2 2 342.487 3.272 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178871461 1386334628 /nfs/dbraw/zinc/33/46/28/1386334628.db2.gz LROLIRKBTDXHTI-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001178872804 1386335795 /nfs/dbraw/zinc/33/57/95/1386335795.db2.gz UKRWYRTXESQZIH-KRWDZBQOSA-N 2 2 348.535 3.148 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178879935 1386336876 /nfs/dbraw/zinc/33/68/76/1386336876.db2.gz HJAHWWVOOGKLQT-GOSISDBHSA-N 2 2 348.535 3.292 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957293 1386360788 /nfs/dbraw/zinc/36/07/88/1386360788.db2.gz WGUGBRAIBZVCEF-BZSNNMDCSA-N 2 2 334.508 3.095 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001179689625 1386554379 /nfs/dbraw/zinc/55/43/79/1386554379.db2.gz HORSVJBDWANTRQ-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179690010 1386555211 /nfs/dbraw/zinc/55/52/11/1386555211.db2.gz VXDARALWQRZUBQ-QGZVFWFLSA-N 2 2 342.487 3.288 20 0 EGADLP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001698658723 1406309264 /nfs/dbraw/zinc/30/92/64/1406309264.db2.gz DVHXDUREALMZAS-PXNSSMCTSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001322159600 1387081594 /nfs/dbraw/zinc/08/15/94/1387081594.db2.gz YFBQCRVOUXOMMK-UTKZUKDTSA-N 2 2 344.418 3.418 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169590 1387086994 /nfs/dbraw/zinc/08/69/94/1387086994.db2.gz RKUGILBITUPKGE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322169590 1387086998 /nfs/dbraw/zinc/08/69/98/1387086998.db2.gz RKUGILBITUPKGE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169590 1387087001 /nfs/dbraw/zinc/08/70/01/1387087001.db2.gz RKUGILBITUPKGE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322169590 1387087005 /nfs/dbraw/zinc/08/70/05/1387087005.db2.gz RKUGILBITUPKGE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP CCn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001336687451 1389135477 /nfs/dbraw/zinc/13/54/77/1389135477.db2.gz WRCYRROOTDSPCR-LJQANCHMSA-N 2 2 326.488 3.165 20 0 EGADLP CCn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(C)n1 ZINC001336687451 1389135478 /nfs/dbraw/zinc/13/54/78/1389135478.db2.gz WRCYRROOTDSPCR-LJQANCHMSA-N 2 2 326.488 3.165 20 0 EGADLP CCn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1 ZINC001336687451 1389135481 /nfs/dbraw/zinc/13/54/81/1389135481.db2.gz WRCYRROOTDSPCR-LJQANCHMSA-N 2 2 326.488 3.165 20 0 EGADLP CCn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC001336687451 1389135484 /nfs/dbraw/zinc/13/54/84/1389135484.db2.gz WRCYRROOTDSPCR-LJQANCHMSA-N 2 2 326.488 3.165 20 0 EGADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCCC1 ZINC001331502234 1389771979 /nfs/dbraw/zinc/77/19/79/1389771979.db2.gz DNRWXVAEKJWRIT-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001339845237 1390169193 /nfs/dbraw/zinc/16/91/93/1390169193.db2.gz JSVKPCDFTNTAJQ-LJQANCHMSA-N 2 2 341.430 3.278 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001339845237 1390169194 /nfs/dbraw/zinc/16/91/94/1390169194.db2.gz JSVKPCDFTNTAJQ-LJQANCHMSA-N 2 2 341.430 3.278 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332845024 1390199488 /nfs/dbraw/zinc/19/94/88/1390199488.db2.gz SJPQGBLLRLBHTR-UXHICEINSA-N 2 2 331.479 3.401 20 0 EGADLP Fc1cccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332845024 1390199490 /nfs/dbraw/zinc/19/94/90/1390199490.db2.gz SJPQGBLLRLBHTR-UXHICEINSA-N 2 2 331.479 3.401 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC001340084974 1390223142 /nfs/dbraw/zinc/22/31/42/1390223142.db2.gz CSPJJCWIKFTIAH-UHFFFAOYSA-N 2 2 332.517 3.455 20 0 EGADLP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001342399941 1390608797 /nfs/dbraw/zinc/60/87/97/1390608797.db2.gz XQBKRCBKHXGETQ-IBGZPJMESA-N 2 2 339.414 3.032 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3CNc3cccc(C)[nH+]3)ccn12 ZINC001349788101 1391367082 /nfs/dbraw/zinc/36/70/82/1391367082.db2.gz VHPRQOYBAWCROQ-QGZVFWFLSA-N 2 2 349.438 3.063 20 0 EGADLP C[C@@H](CC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001480918481 1393019889 /nfs/dbraw/zinc/01/98/89/1393019889.db2.gz GBZBPMONJFKQCM-INIZCTEOSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@@H](CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001480918481 1393019883 /nfs/dbraw/zinc/01/98/83/1393019883.db2.gz GBZBPMONJFKQCM-INIZCTEOSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001481333177 1393165638 /nfs/dbraw/zinc/16/56/38/1393165638.db2.gz BMEBMTJYOYDSTB-ZABGRMTBSA-N 2 2 346.862 3.146 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001490618291 1394285376 /nfs/dbraw/zinc/28/53/76/1394285376.db2.gz JSYNNXJBBGPPKK-KRWDZBQOSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001698973631 1406740124 /nfs/dbraw/zinc/74/01/24/1406740124.db2.gz ZBUZDJBEBXGPMZ-SUMWQHHRSA-N 2 2 348.878 3.097 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496091254 1396600011 /nfs/dbraw/zinc/60/00/11/1396600011.db2.gz ACVDLBPRVLBEQK-GJZGRUSLSA-N 2 2 336.439 3.374 20 0 EGADLP CCCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC[NH+](CCC)CC1 ZINC001690134362 1404331341 /nfs/dbraw/zinc/33/13/41/1404331341.db2.gz OPXSOTGLPKTZSL-UHFFFAOYSA-N 2 2 342.487 3.369 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001690459562 1404590924 /nfs/dbraw/zinc/59/09/24/1404590924.db2.gz QOYGQHRIORGLMO-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001690459562 1404590925 /nfs/dbraw/zinc/59/09/25/1404590925.db2.gz QOYGQHRIORGLMO-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]Cc2ncccc2C)c(C)[nH+]1 ZINC001690854896 1404778145 /nfs/dbraw/zinc/77/81/45/1404778145.db2.gz UJQJKOJSZZJPEL-OAHLLOKOSA-N 2 2 340.471 3.008 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001692217382 1405850663 /nfs/dbraw/zinc/85/06/63/1405850663.db2.gz KIWPITOPAQNKKI-KRWDZBQOSA-N 2 2 343.515 3.060 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001732366048 1428550098 /nfs/dbraw/zinc/55/00/98/1428550098.db2.gz AEWRMOMAJRZDSL-CHWSQXEVSA-N 2 2 348.878 3.017 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](CCC2CCCCCC2)C1 ZINC001699825933 1413251066 /nfs/dbraw/zinc/25/10/66/1413251066.db2.gz YBJVIFOKAJCZHN-HXUWFJFHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCCCC2)C1 ZINC001699825933 1413251069 /nfs/dbraw/zinc/25/10/69/1413251069.db2.gz YBJVIFOKAJCZHN-HXUWFJFHSA-N 2 2 346.519 3.202 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700986955 1414629278 /nfs/dbraw/zinc/62/92/78/1414629278.db2.gz MWBFRKXBEYOAOT-QGZVFWFLSA-N 2 2 328.460 3.097 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275042 1417892587 /nfs/dbraw/zinc/89/25/87/1417892587.db2.gz DDJCTDGCAOPPOZ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275042 1417892591 /nfs/dbraw/zinc/89/25/91/1417892591.db2.gz DDJCTDGCAOPPOZ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275042 1417892594 /nfs/dbraw/zinc/89/25/94/1417892594.db2.gz DDJCTDGCAOPPOZ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275042 1417892598 /nfs/dbraw/zinc/89/25/98/1417892598.db2.gz DDJCTDGCAOPPOZ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCC(C)(C)CC1 ZINC001713457946 1418111507 /nfs/dbraw/zinc/11/15/07/1418111507.db2.gz SZYYASABIYLBBQ-UHFFFAOYSA-N 2 2 342.487 3.441 20 0 EGADLP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCC(C)(C)CC1 ZINC001713457946 1418111511 /nfs/dbraw/zinc/11/15/11/1418111511.db2.gz SZYYASABIYLBBQ-UHFFFAOYSA-N 2 2 342.487 3.441 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001714080913 1418874806 /nfs/dbraw/zinc/87/48/06/1418874806.db2.gz SUYDNUFJVFIYSM-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCC2)c1 ZINC001714144850 1418948384 /nfs/dbraw/zinc/94/83/84/1418948384.db2.gz NZORPVKVZWFWFP-MRXNPFEDSA-N 2 2 340.471 3.040 20 0 EGADLP C[N@H+](CCCC1CCCC1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714547603 1419274052 /nfs/dbraw/zinc/27/40/52/1419274052.db2.gz GLSAMVDVAVZTAU-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP C[N@@H+](CCCC1CCCC1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714547603 1419274053 /nfs/dbraw/zinc/27/40/53/1419274053.db2.gz GLSAMVDVAVZTAU-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP CCC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@@H](C)CC ZINC001714654314 1419434849 /nfs/dbraw/zinc/43/48/49/1419434849.db2.gz ULMWRBZRWLZXJF-HNNXBMFYSA-N 2 2 330.476 3.131 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@@H](C)CC ZINC001714654314 1419434851 /nfs/dbraw/zinc/43/48/51/1419434851.db2.gz ULMWRBZRWLZXJF-HNNXBMFYSA-N 2 2 330.476 3.131 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715532164 1420223097 /nfs/dbraw/zinc/22/30/97/1420223097.db2.gz HHBUOBAASDBHDQ-PKOBYXMFSA-N 2 2 342.487 3.376 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001715532164 1420223098 /nfs/dbraw/zinc/22/30/98/1420223098.db2.gz HHBUOBAASDBHDQ-PKOBYXMFSA-N 2 2 342.487 3.376 20 0 EGADLP CN(CC[N@H+](C)CCCC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715865002 1420373045 /nfs/dbraw/zinc/37/30/45/1420373045.db2.gz AJZYTTAYFYKBEE-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CN(CC[N@@H+](C)CCCC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715865002 1420373049 /nfs/dbraw/zinc/37/30/49/1420373049.db2.gz AJZYTTAYFYKBEE-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001715959870 1420426429 /nfs/dbraw/zinc/42/64/29/1420426429.db2.gz YYMPPXIFHDZOSE-CVEARBPZSA-N 2 2 346.450 3.125 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001715959870 1420426431 /nfs/dbraw/zinc/42/64/31/1420426431.db2.gz YYMPPXIFHDZOSE-CVEARBPZSA-N 2 2 346.450 3.125 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CC3CCCCCC3)ccn12 ZINC001715978087 1420437989 /nfs/dbraw/zinc/43/79/89/1420437989.db2.gz VCBLCSJAJPFDEJ-HNNXBMFYSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)c1 ZINC001716404503 1420637305 /nfs/dbraw/zinc/63/73/05/1420637305.db2.gz OEBYXFYZZXBTTA-CVEARBPZSA-N 2 2 336.439 3.112 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001716768978 1420913729 /nfs/dbraw/zinc/91/37/29/1420913729.db2.gz JOMFTLUBPGVSJU-SJLPKXTDSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001716879389 1421004283 /nfs/dbraw/zinc/00/42/83/1421004283.db2.gz SQNPPPCKBKCYRA-FQEVSTJZSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCCCC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001716971562 1421057461 /nfs/dbraw/zinc/05/74/61/1421057461.db2.gz OXWNJSCRMOUBCC-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCC1 ZINC001717338985 1421276671 /nfs/dbraw/zinc/27/66/71/1421276671.db2.gz HPKDTROMSXWANA-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC1CCC1 ZINC001717338985 1421276673 /nfs/dbraw/zinc/27/66/73/1421276673.db2.gz HPKDTROMSXWANA-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001724846917 1425200141 /nfs/dbraw/zinc/20/01/41/1425200141.db2.gz UZMATYXPFUJXRM-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001724846917 1425200145 /nfs/dbraw/zinc/20/01/45/1425200145.db2.gz UZMATYXPFUJXRM-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001731609007 1427655139 /nfs/dbraw/zinc/65/51/39/1427655139.db2.gz SJZWLALMTSJIHG-HOTGVXAUSA-N 2 2 336.439 3.112 20 0 EGADLP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001734011151 1437802606 /nfs/dbraw/zinc/80/26/06/1437802606.db2.gz HDWXBWUCQZDHOQ-UHFFFAOYSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734046713 1437835621 /nfs/dbraw/zinc/83/56/21/1437835621.db2.gz HFKAGDZRVCIYQI-MRXNPFEDSA-N 2 2 342.487 3.359 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734046713 1437835623 /nfs/dbraw/zinc/83/56/23/1437835623.db2.gz HFKAGDZRVCIYQI-MRXNPFEDSA-N 2 2 342.487 3.359 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001752807337 1440215999 /nfs/dbraw/zinc/21/59/99/1440215999.db2.gz FKZWQUFJMHUHPX-IAGOWNOFSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837131 1440228219 /nfs/dbraw/zinc/22/82/19/1440228219.db2.gz RBBPBQXJSCQLIY-IRXDYDNUSA-N 2 2 347.503 3.040 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837131 1440228220 /nfs/dbraw/zinc/22/82/20/1440228220.db2.gz RBBPBQXJSCQLIY-IRXDYDNUSA-N 2 2 347.503 3.040 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001752850267 1440233351 /nfs/dbraw/zinc/23/33/51/1440233351.db2.gz AGJRJNATMFUIJB-IUDNXUCKSA-N 2 2 328.460 3.240 20 0 EGADLP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999091 1440263828 /nfs/dbraw/zinc/26/38/28/1440263828.db2.gz SDBWWZVCXBDWHC-HQYUYXFKSA-N 2 2 332.492 3.113 20 0 EGADLP CC/C=C/CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999091 1440263829 /nfs/dbraw/zinc/26/38/29/1440263829.db2.gz SDBWWZVCXBDWHC-HQYUYXFKSA-N 2 2 332.492 3.113 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C\c1ccccc1 ZINC001753009196 1440266472 /nfs/dbraw/zinc/26/64/72/1440266472.db2.gz AJWBUOOCSRMVMS-KQQSKNTNSA-N 2 2 348.450 3.374 20 0 EGADLP C[C@@H]1CCCC[C@]1(C[NH2+]CCC1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001753537587 1440432992 /nfs/dbraw/zinc/43/29/92/1440432992.db2.gz MONMLCLGOMIFLV-YLJYHZDGSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](CC[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001753551451 1440435019 /nfs/dbraw/zinc/43/50/19/1440435019.db2.gz MNOMRDSUGRXJPJ-QGZVFWFLSA-N 2 2 335.467 3.198 20 0 EGADLP C[C@H](CC(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1)n1cc[nH+]c1 ZINC001753635165 1440453072 /nfs/dbraw/zinc/45/30/72/1440453072.db2.gz YCJDAYUWJBLQNR-IAGOWNOFSA-N 2 2 346.519 3.147 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001753742963 1440479835 /nfs/dbraw/zinc/47/98/35/1440479835.db2.gz BXQIMOOVBBOYPO-IEBWSBKVSA-N 2 2 342.487 3.073 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001753756273 1440483164 /nfs/dbraw/zinc/48/31/64/1440483164.db2.gz BXNDNGNCRYZQMA-GOEBONIOSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753797272 1440490154 /nfs/dbraw/zinc/49/01/54/1440490154.db2.gz SCQOHEOHKVLEFZ-VOIRRYAFSA-N 2 2 346.862 3.146 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C=C\Cl)c(C)[nH+]1 ZINC001753890996 1440522013 /nfs/dbraw/zinc/52/20/13/1440522013.db2.gz GANSFNYISMIXCQ-OXUBUWLOSA-N 2 2 335.879 3.247 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)CCc1c[nH]c[nH+]1 ZINC001754048170 1440535529 /nfs/dbraw/zinc/53/55/29/1440535529.db2.gz GMGLCEJGYOEQGT-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)CCc1c[nH+]c[nH]1 ZINC001754048170 1440535530 /nfs/dbraw/zinc/53/55/30/1440535530.db2.gz GMGLCEJGYOEQGT-QGZVFWFLSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CC2CCC(C)CC2)c[nH+]1 ZINC001754137677 1440543897 /nfs/dbraw/zinc/54/38/97/1440543897.db2.gz MGMUOPZPVGWVNE-WAYWQWQTSA-N 2 2 346.519 3.015 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001754276281 1440562391 /nfs/dbraw/zinc/56/23/91/1440562391.db2.gz IUNZGXHMHFJEDD-JKSUJKDBSA-N 2 2 336.439 3.112 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+][C@@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001754283406 1440563555 /nfs/dbraw/zinc/56/35/55/1440563555.db2.gz MYSTUYZODZIQEA-HNAYVOBHSA-N 2 2 337.467 3.402 20 0 EGADLP CC[C@H]([NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001754407775 1440595974 /nfs/dbraw/zinc/59/59/74/1440595974.db2.gz LODPBLZJUGJCDL-KRWDZBQOSA-N 2 2 342.487 3.277 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001754721531 1440673465 /nfs/dbraw/zinc/67/34/65/1440673465.db2.gz RNFCOAAZVTYDRK-INIZCTEOSA-N 2 2 348.535 3.161 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001754944988 1440712483 /nfs/dbraw/zinc/71/24/83/1440712483.db2.gz OVQUKZLJUIFKQQ-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755135486 1440757998 /nfs/dbraw/zinc/75/79/98/1440757998.db2.gz QVKYYNCMJCXQLE-SREVYHEPSA-N 2 2 332.492 3.014 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCCCCF ZINC001755159578 1440764358 /nfs/dbraw/zinc/76/43/58/1440764358.db2.gz BTGYNUQGBOSAAM-HOTGVXAUSA-N 2 2 346.450 3.057 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCCCCF ZINC001755159578 1440764359 /nfs/dbraw/zinc/76/43/59/1440764359.db2.gz BTGYNUQGBOSAAM-HOTGVXAUSA-N 2 2 346.450 3.057 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)C)c[nH+]1 ZINC001755281276 1440800633 /nfs/dbraw/zinc/80/06/33/1440800633.db2.gz FKCFUDMMBLPWGW-UHFFFAOYSA-N 2 2 336.524 3.047 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)C)ccn12 ZINC001755300908 1440808351 /nfs/dbraw/zinc/80/83/51/1440808351.db2.gz ZZNXVHWEHDARCH-OAHLLOKOSA-N 2 2 330.476 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)C)ccn12 ZINC001755300908 1440808352 /nfs/dbraw/zinc/80/83/52/1440808352.db2.gz ZZNXVHWEHDARCH-OAHLLOKOSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCCC(C)(C)C ZINC001755305212 1440810331 /nfs/dbraw/zinc/81/03/31/1440810331.db2.gz LJYXKYCSEHIXSN-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCCC(C)(C)C ZINC001755305212 1440810332 /nfs/dbraw/zinc/81/03/32/1440810332.db2.gz LJYXKYCSEHIXSN-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCCC(C)(C)C ZINC001755305211 1440810377 /nfs/dbraw/zinc/81/03/77/1440810377.db2.gz LJYXKYCSEHIXSN-AWEZNQCLSA-N 2 2 330.476 3.439 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCCC(C)(C)C ZINC001755305211 1440810378 /nfs/dbraw/zinc/81/03/78/1440810378.db2.gz LJYXKYCSEHIXSN-AWEZNQCLSA-N 2 2 330.476 3.439 20 0 EGADLP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001755531050 1440867385 /nfs/dbraw/zinc/86/73/85/1440867385.db2.gz ZYDMYJXJJJWWMQ-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001755531050 1440867386 /nfs/dbraw/zinc/86/73/86/1440867386.db2.gz ZYDMYJXJJJWWMQ-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001755531050 1440867387 /nfs/dbraw/zinc/86/73/87/1440867387.db2.gz ZYDMYJXJJJWWMQ-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001755531050 1440867388 /nfs/dbraw/zinc/86/73/88/1440867388.db2.gz ZYDMYJXJJJWWMQ-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001755701006 1440900088 /nfs/dbraw/zinc/90/00/88/1440900088.db2.gz LRXPRMPXWQFOOH-ILZDJORESA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001755701006 1440900089 /nfs/dbraw/zinc/90/00/89/1440900089.db2.gz LRXPRMPXWQFOOH-ILZDJORESA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001755701006 1440900090 /nfs/dbraw/zinc/90/00/90/1440900090.db2.gz LRXPRMPXWQFOOH-ILZDJORESA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001755701006 1440900091 /nfs/dbraw/zinc/90/00/91/1440900091.db2.gz LRXPRMPXWQFOOH-ILZDJORESA-N 2 2 346.519 3.138 20 0 EGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(N)c[nH+]2)CC3)cs1 ZINC001164691176 719804415 /nfs/dbraw/zinc/80/44/15/719804415.db2.gz FBVUABVRKGMQSL-UHFFFAOYSA-N 2 2 343.500 3.064 20 0 EGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(N)c[nH+]2)CC3)cs1 ZINC001164691176 719804416 /nfs/dbraw/zinc/80/44/16/719804416.db2.gz FBVUABVRKGMQSL-UHFFFAOYSA-N 2 2 343.500 3.064 20 0 EGADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164734390 720554547 /nfs/dbraw/zinc/55/45/47/720554547.db2.gz ZZSTYHCAGQEDMM-UHFFFAOYSA-N 2 2 347.466 3.090 20 0 EGADLP c1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)cc(N2CCCCC2)[nH+]1 ZINC001165049155 721975322 /nfs/dbraw/zinc/97/53/22/721975322.db2.gz NUUXXUFLOVUSDC-SFHVURJKSA-N 2 2 343.519 3.312 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000368351240 168344832 /nfs/dbraw/zinc/34/48/32/168344832.db2.gz CNDVOZAFITUCLW-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)co2)cc1 ZINC000368351240 168344834 /nfs/dbraw/zinc/34/48/34/168344834.db2.gz CNDVOZAFITUCLW-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)co2)cc1 ZINC000368351240 168344837 /nfs/dbraw/zinc/34/48/37/168344837.db2.gz CNDVOZAFITUCLW-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)co2)cc1 ZINC000368351240 168344839 /nfs/dbraw/zinc/34/48/39/168344839.db2.gz CNDVOZAFITUCLW-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829945 282168228 /nfs/dbraw/zinc/16/82/28/282168228.db2.gz XFUZEXRLDKHHPU-FUHWJXTLSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829945 282168229 /nfs/dbraw/zinc/16/82/29/282168229.db2.gz XFUZEXRLDKHHPU-FUHWJXTLSA-N 2 2 349.906 3.076 20 0 EGADLP CCC[C@@H](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370163460 168471694 /nfs/dbraw/zinc/47/16/94/168471694.db2.gz QBGHABMQHHIBPY-SJORKVTESA-N 2 2 346.519 3.200 20 0 EGADLP CCCCn1c(SCc2c[nH+]cn2C)nnc1[C@@H](CC)[NH+](C)C ZINC000267753734 282983799 /nfs/dbraw/zinc/98/37/99/282983799.db2.gz IBLKOFDQLUFNFO-CQSZACIVSA-N 2 2 336.509 3.117 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000184268078 235351380 /nfs/dbraw/zinc/35/13/80/235351380.db2.gz CCYPZZIIRYZBOD-LJQANCHMSA-N 2 2 338.499 3.253 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ncc(Br)cc1F ZINC000186957641 299272188 /nfs/dbraw/zinc/27/21/88/299272188.db2.gz DIUWXBWYZXEBII-JTQLQIEISA-N 2 2 342.256 3.261 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000236891174 242398281 /nfs/dbraw/zinc/39/82/81/242398281.db2.gz HVACUMQDDNKBKD-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000236891174 242398284 /nfs/dbraw/zinc/39/82/84/242398284.db2.gz HVACUMQDDNKBKD-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP CC(C)c1nc(N(C)C2CC[NH+](CCc3ccccn3)CC2)cc[nH+]1 ZINC000110406643 220034094 /nfs/dbraw/zinc/03/40/94/220034094.db2.gz LFFSHAUXCFSADJ-UHFFFAOYSA-N 2 2 339.487 3.138 20 0 EGADLP CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000081023697 217352538 /nfs/dbraw/zinc/35/25/38/217352538.db2.gz BGEJUTXCKQJGKC-UHFFFAOYSA-N 2 2 332.473 3.090 20 0 EGADLP CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335669 169011679 /nfs/dbraw/zinc/01/16/79/169011679.db2.gz HRXLUOOTEBGEAU-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377335669 169011681 /nfs/dbraw/zinc/01/16/81/169011681.db2.gz HRXLUOOTEBGEAU-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335669 169011685 /nfs/dbraw/zinc/01/16/85/169011685.db2.gz HRXLUOOTEBGEAU-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377335669 169011686 /nfs/dbraw/zinc/01/16/86/169011686.db2.gz HRXLUOOTEBGEAU-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000091961153 218095180 /nfs/dbraw/zinc/09/51/80/218095180.db2.gz ULFZOTHGCCZZRY-XLIONFOSSA-N 2 2 343.471 3.382 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000091961153 218095183 /nfs/dbraw/zinc/09/51/83/218095183.db2.gz ULFZOTHGCCZZRY-XLIONFOSSA-N 2 2 343.471 3.382 20 0 EGADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564044 218233160 /nfs/dbraw/zinc/23/31/60/218233160.db2.gz YUIOUBCKRCBNMJ-SFHVURJKSA-N 2 2 348.487 3.128 20 0 EGADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564044 218233162 /nfs/dbraw/zinc/23/31/62/218233162.db2.gz YUIOUBCKRCBNMJ-SFHVURJKSA-N 2 2 348.487 3.128 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093692981 218242084 /nfs/dbraw/zinc/24/20/84/218242084.db2.gz HYOAVNDNRHQSIT-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093692981 218242086 /nfs/dbraw/zinc/24/20/86/218242086.db2.gz HYOAVNDNRHQSIT-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CC[N@@H+](Cc1cn(C)nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818719 218252342 /nfs/dbraw/zinc/25/23/42/218252342.db2.gz QWZCQGQOZOLFHB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cn(C)nc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818719 218252345 /nfs/dbraw/zinc/25/23/45/218252345.db2.gz QWZCQGQOZOLFHB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cn(C)nc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818719 218252348 /nfs/dbraw/zinc/25/23/48/218252348.db2.gz QWZCQGQOZOLFHB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cn(C)nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818719 218252351 /nfs/dbraw/zinc/25/23/51/218252351.db2.gz QWZCQGQOZOLFHB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000094341387 218267736 /nfs/dbraw/zinc/26/77/36/218267736.db2.gz FXVGWLDGDZBJOH-GWCFXTLKSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000094341387 218267737 /nfs/dbraw/zinc/26/77/37/218267737.db2.gz FXVGWLDGDZBJOH-GWCFXTLKSA-N 2 2 347.684 3.150 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267456588 251074197 /nfs/dbraw/zinc/07/41/97/251074197.db2.gz SYIGSSAWSWOXCL-MRXNPFEDSA-N 2 2 326.444 3.351 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267456588 251074202 /nfs/dbraw/zinc/07/42/02/251074202.db2.gz SYIGSSAWSWOXCL-MRXNPFEDSA-N 2 2 326.444 3.351 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000267537027 251137349 /nfs/dbraw/zinc/13/73/49/251137349.db2.gz WFQDAFQHDFMDFU-GDBMZVCRSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000267537027 251137354 /nfs/dbraw/zinc/13/73/54/251137354.db2.gz WFQDAFQHDFMDFU-GDBMZVCRSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268820695 252271481 /nfs/dbraw/zinc/27/14/81/252271481.db2.gz HMWQSQZSDZNSDL-UHVFKWDWSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268820695 252271486 /nfs/dbraw/zinc/27/14/86/252271486.db2.gz HMWQSQZSDZNSDL-UHVFKWDWSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000268830021 252278700 /nfs/dbraw/zinc/27/87/00/252278700.db2.gz KCJCFFKAYBRDLW-WCQYABFASA-N 2 2 348.821 3.049 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc2c(c1)COC2 ZINC000268845042 252291654 /nfs/dbraw/zinc/29/16/54/252291654.db2.gz IYARJASIBXAKLK-MRXNPFEDSA-N 2 2 337.467 3.427 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000118994548 221219806 /nfs/dbraw/zinc/21/98/06/221219806.db2.gz FTGQKLKAXAYJIJ-LALPHHSUSA-N 2 2 328.403 3.115 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000118994548 221219808 /nfs/dbraw/zinc/21/98/08/221219808.db2.gz FTGQKLKAXAYJIJ-LALPHHSUSA-N 2 2 328.403 3.115 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246594492 141018645 /nfs/dbraw/zinc/01/86/45/141018645.db2.gz ZRLNRIQXOFILCR-YHELAOLJSA-N 2 2 345.531 3.333 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246594492 141018649 /nfs/dbraw/zinc/01/86/49/141018649.db2.gz ZRLNRIQXOFILCR-YHELAOLJSA-N 2 2 345.531 3.333 20 0 EGADLP CC(C)[N@H+](C)CCCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338151649 141104096 /nfs/dbraw/zinc/10/40/96/141104096.db2.gz VFKQNVFIBZVSLB-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP CC(C)[N@@H+](C)CCCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338151649 141104097 /nfs/dbraw/zinc/10/40/97/141104097.db2.gz VFKQNVFIBZVSLB-UHFFFAOYSA-N 2 2 327.428 3.334 20 0 EGADLP Cc1c[nH+]c(CNC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)n1C ZINC000341261739 141146306 /nfs/dbraw/zinc/14/63/06/141146306.db2.gz QKCVWRIYOHJHQH-HNNXBMFYSA-N 2 2 340.393 3.140 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000342794245 141149029 /nfs/dbraw/zinc/14/90/29/141149029.db2.gz KTAISZXYAYJIFP-IBGZPJMESA-N 2 2 344.499 3.416 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CN(Cc3ccccc3)C[C@H]1C)CCC2 ZINC000344529294 141169145 /nfs/dbraw/zinc/16/91/45/141169145.db2.gz CDZVNBTWCKNZEM-LSTHTHJFSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@@H]1CCSCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151249 141239920 /nfs/dbraw/zinc/23/99/20/141239920.db2.gz MUFHWPJJSIYYPT-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CCSCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000348151249 141239921 /nfs/dbraw/zinc/23/99/21/141239921.db2.gz MUFHWPJJSIYYPT-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CCSCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348151249 141239922 /nfs/dbraw/zinc/23/99/22/141239922.db2.gz MUFHWPJJSIYYPT-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CCSCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348151249 141239923 /nfs/dbraw/zinc/23/99/23/141239923.db2.gz MUFHWPJJSIYYPT-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP COc1cc(C[N@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)ccc1O ZINC000348174820 141244860 /nfs/dbraw/zinc/24/48/60/141244860.db2.gz PWNYMRFYKSYCOY-UHFFFAOYSA-N 2 2 347.484 3.084 20 0 EGADLP COc1cc(C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)ccc1O ZINC000348174820 141244863 /nfs/dbraw/zinc/24/48/63/141244863.db2.gz PWNYMRFYKSYCOY-UHFFFAOYSA-N 2 2 347.484 3.084 20 0 EGADLP CCN(Cc1cc(OC)cc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355013062 141322662 /nfs/dbraw/zinc/32/26/62/141322662.db2.gz NCQMLLGXANKNFC-LJQANCHMSA-N 2 2 325.456 3.187 20 0 EGADLP CCN(Cc1cc(OC)cc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355013062 141322665 /nfs/dbraw/zinc/32/26/65/141322665.db2.gz NCQMLLGXANKNFC-LJQANCHMSA-N 2 2 325.456 3.187 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000178482854 144072304 /nfs/dbraw/zinc/07/23/04/144072304.db2.gz WQANDXYRFZDIKI-BBWFWOEESA-N 2 2 327.472 3.385 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2n1 ZINC000178482854 144072305 /nfs/dbraw/zinc/07/23/05/144072305.db2.gz WQANDXYRFZDIKI-BBWFWOEESA-N 2 2 327.472 3.385 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000183703994 144077757 /nfs/dbraw/zinc/07/77/57/144077757.db2.gz GIDVGMWJWNNVIC-HNNXBMFYSA-N 2 2 329.444 3.141 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000184732968 144097915 /nfs/dbraw/zinc/09/79/15/144097915.db2.gz GWQXVDAEAODMDZ-CQSZACIVSA-N 2 2 343.862 3.176 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000184732968 144097916 /nfs/dbraw/zinc/09/79/16/144097916.db2.gz GWQXVDAEAODMDZ-CQSZACIVSA-N 2 2 343.862 3.176 20 0 EGADLP Cn1cc([C@H]([NH2+]Cc2cccc3[nH+]ccn32)c2ccc(F)cc2)cn1 ZINC000187514815 144160391 /nfs/dbraw/zinc/16/03/91/144160391.db2.gz KMMVOAMHNLLDTI-LJQANCHMSA-N 2 2 335.386 3.086 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344626730 144201908 /nfs/dbraw/zinc/20/19/08/144201908.db2.gz KTOUQLIVOAPYNQ-GUYCJALGSA-N 2 2 330.451 3.201 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344626730 144201909 /nfs/dbraw/zinc/20/19/09/144201909.db2.gz KTOUQLIVOAPYNQ-GUYCJALGSA-N 2 2 330.451 3.201 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC000344766157 144221679 /nfs/dbraw/zinc/22/16/79/144221679.db2.gz SEASFCAABQUVDF-KRWDZBQOSA-N 2 2 348.531 3.495 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC000344766158 144221909 /nfs/dbraw/zinc/22/19/09/144221909.db2.gz SEASFCAABQUVDF-QGZVFWFLSA-N 2 2 348.531 3.495 20 0 EGADLP CCc1cc(N[C@@H](C)CCC[NH+](CC)CC)nc(-c2ccncc2)[nH+]1 ZINC000344894813 144238413 /nfs/dbraw/zinc/23/84/13/144238413.db2.gz CADDDIHBTJWZHI-INIZCTEOSA-N 2 2 341.503 3.445 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000351567268 144281039 /nfs/dbraw/zinc/28/10/39/144281039.db2.gz HITVTOGEULCTGX-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000351567268 144281041 /nfs/dbraw/zinc/28/10/41/144281041.db2.gz HITVTOGEULCTGX-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(F)cc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000351567268 144281044 /nfs/dbraw/zinc/28/10/44/144281044.db2.gz HITVTOGEULCTGX-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1ccc(F)cc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351567268 144281045 /nfs/dbraw/zinc/28/10/45/144281045.db2.gz HITVTOGEULCTGX-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP c1cn(Cc2ccc(NCc3cnc(-c4ccccn4)s3)[nH+]c2)c[nH+]1 ZINC000351569617 144281210 /nfs/dbraw/zinc/28/12/10/144281210.db2.gz SCPRMJPRIAAITG-UHFFFAOYSA-N 2 2 348.435 3.457 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603459 144286753 /nfs/dbraw/zinc/28/67/53/144286753.db2.gz AGIUEQWJNPHAPG-ZWKOTPCHSA-N 2 2 330.497 3.077 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603459 144286754 /nfs/dbraw/zinc/28/67/54/144286754.db2.gz AGIUEQWJNPHAPG-ZWKOTPCHSA-N 2 2 330.497 3.077 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1ccc(F)cc1 ZINC000361721551 144354923 /nfs/dbraw/zinc/35/49/23/144354923.db2.gz SOOIHWLSWRBGDE-INIZCTEOSA-N 2 2 343.446 3.242 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000341139654 155185260 /nfs/dbraw/zinc/18/52/60/155185260.db2.gz NGRVOCMFBBKLAP-CQSZACIVSA-N 2 2 327.476 3.110 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000341139654 155185262 /nfs/dbraw/zinc/18/52/62/155185262.db2.gz NGRVOCMFBBKLAP-CQSZACIVSA-N 2 2 327.476 3.110 20 0 EGADLP Brc1c[nH+]ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000341340464 155240731 /nfs/dbraw/zinc/24/07/31/155240731.db2.gz DTQRZOGSJNQXTG-UHFFFAOYSA-N 2 2 338.274 3.228 20 0 EGADLP c1ccc2nc(CC[NH2+]C3CC[NH+](Cc4cccnc4)CC3)ccc2c1 ZINC000341477982 155314492 /nfs/dbraw/zinc/31/44/92/155314492.db2.gz DVDPEAUWIDHXEE-UHFFFAOYSA-N 2 2 346.478 3.427 20 0 EGADLP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396067 152057173 /nfs/dbraw/zinc/05/71/73/152057173.db2.gz WOJYPDLDDAVJNV-RDTXWAMCSA-N 2 2 347.503 3.172 20 0 EGADLP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341588173 155371080 /nfs/dbraw/zinc/37/10/80/155371080.db2.gz IWUNMGWGEFJOQK-PXNSSMCTSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000190784482 153159237 /nfs/dbraw/zinc/15/92/37/153159237.db2.gz RPMQCDWDMYTVDM-UHFFFAOYSA-N 2 2 341.503 3.096 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1NCc1ccc(N(C)C(C)C)[nH+]c1 ZINC000191476264 153199172 /nfs/dbraw/zinc/19/91/72/153199172.db2.gz CRNQVOJECGXSEK-UHFFFAOYSA-N 2 2 336.443 3.427 20 0 EGADLP CCO[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000193431763 153291185 /nfs/dbraw/zinc/29/11/85/153291185.db2.gz CWVLAOPQYLXCSP-NRFANRHFSA-N 2 2 339.483 3.413 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c1C ZINC000302066880 154025923 /nfs/dbraw/zinc/02/59/23/154025923.db2.gz JRVSSJWTUMLHFE-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c1C ZINC000302066880 154025929 /nfs/dbraw/zinc/02/59/29/154025929.db2.gz JRVSSJWTUMLHFE-UHFFFAOYSA-N 2 2 325.456 3.093 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191391 154089408 /nfs/dbraw/zinc/08/94/08/154089408.db2.gz YGPBLTOUBVXGHQ-ICSRJNTNSA-N 2 2 345.531 3.215 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191391 154089414 /nfs/dbraw/zinc/08/94/14/154089414.db2.gz YGPBLTOUBVXGHQ-ICSRJNTNSA-N 2 2 345.531 3.215 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000310141303 154139667 /nfs/dbraw/zinc/13/96/67/154139667.db2.gz CIAYWANSLVHPER-LPHOPBHVSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000310141303 154139670 /nfs/dbraw/zinc/13/96/70/154139670.db2.gz CIAYWANSLVHPER-LPHOPBHVSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000310328295 154142125 /nfs/dbraw/zinc/14/21/25/154142125.db2.gz ZOASKAGJUGJSLK-INIZCTEOSA-N 2 2 326.440 3.068 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000310328295 154142128 /nfs/dbraw/zinc/14/21/28/154142128.db2.gz ZOASKAGJUGJSLK-INIZCTEOSA-N 2 2 326.440 3.068 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000311059567 154145121 /nfs/dbraw/zinc/14/51/21/154145121.db2.gz WPFFZAYIJBJFDG-FQEVSTJZSA-N 2 2 341.503 3.035 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000311059567 154145123 /nfs/dbraw/zinc/14/51/23/154145123.db2.gz WPFFZAYIJBJFDG-FQEVSTJZSA-N 2 2 341.503 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777981 154165142 /nfs/dbraw/zinc/16/51/42/154165142.db2.gz LYUXKMAMFPCJNY-MAZHCROVSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777981 154165146 /nfs/dbraw/zinc/16/51/46/154165146.db2.gz LYUXKMAMFPCJNY-MAZHCROVSA-N 2 2 328.378 3.219 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccc2c1 ZINC000327394922 154187109 /nfs/dbraw/zinc/18/71/09/154187109.db2.gz DCADPHITQYDSPL-DLVCFXQMSA-N 2 2 340.467 3.362 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)ccc2c1 ZINC000327394922 154187110 /nfs/dbraw/zinc/18/71/10/154187110.db2.gz DCADPHITQYDSPL-DLVCFXQMSA-N 2 2 340.467 3.362 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000336813853 154214111 /nfs/dbraw/zinc/21/41/11/154214111.db2.gz VRMUAAXNWOLQNL-DGCLKSJQSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Br)c1 ZINC000336813853 154214113 /nfs/dbraw/zinc/21/41/13/154214113.db2.gz VRMUAAXNWOLQNL-DGCLKSJQSA-N 2 2 327.266 3.030 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281085 154258148 /nfs/dbraw/zinc/25/81/48/154258148.db2.gz VYRQYXYEPJQRDC-ROUUACIJSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337281085 154258151 /nfs/dbraw/zinc/25/81/51/154258151.db2.gz VYRQYXYEPJQRDC-ROUUACIJSA-N 2 2 345.531 3.232 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337340103 154294264 /nfs/dbraw/zinc/29/42/64/154294264.db2.gz PCLGLHCWTNFEHE-AJYBTWMASA-N 2 2 331.504 3.197 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@H](C)O1 ZINC000337340103 154294269 /nfs/dbraw/zinc/29/42/69/154294269.db2.gz PCLGLHCWTNFEHE-AJYBTWMASA-N 2 2 331.504 3.197 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000337375253 154317485 /nfs/dbraw/zinc/31/74/85/154317485.db2.gz UQQAQESOXFXXIR-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000337375253 154317490 /nfs/dbraw/zinc/31/74/90/154317490.db2.gz UQQAQESOXFXXIR-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000337394883 154330970 /nfs/dbraw/zinc/33/09/70/154330970.db2.gz PAEPXSALBLCTGT-MPGHIAIKSA-N 2 2 332.488 3.016 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000337394883 154330976 /nfs/dbraw/zinc/33/09/76/154330976.db2.gz PAEPXSALBLCTGT-MPGHIAIKSA-N 2 2 332.488 3.016 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)oc1C ZINC000337509561 154388682 /nfs/dbraw/zinc/38/86/82/154388682.db2.gz HYKIIXRMOQQFPS-KRWDZBQOSA-N 3 2 342.487 3.154 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000119883892 292336226 /nfs/dbraw/zinc/33/62/26/292336226.db2.gz MFATVAORXPXKEQ-LMMKCTJWSA-N 2 2 332.488 3.298 20 0 EGADLP COc1sc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000346814736 156147927 /nfs/dbraw/zinc/14/79/27/156147927.db2.gz CKJYTRCAVZSHII-NDMJEZRESA-N 2 2 345.306 3.078 20 0 EGADLP COc1sc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000346814736 156147931 /nfs/dbraw/zinc/14/79/31/156147931.db2.gz CKJYTRCAVZSHII-NDMJEZRESA-N 2 2 345.306 3.078 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349127043 156361841 /nfs/dbraw/zinc/36/18/41/156361841.db2.gz HRVSWDTVTICRMP-AWEZNQCLSA-N 2 2 347.846 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000349127043 156361846 /nfs/dbraw/zinc/36/18/46/156361846.db2.gz HRVSWDTVTICRMP-AWEZNQCLSA-N 2 2 347.846 3.224 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541022 157352018 /nfs/dbraw/zinc/35/20/18/157352018.db2.gz UAVKCTBRBPFQKO-FUHIMQAGSA-N 2 2 341.503 3.281 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541022 157352020 /nfs/dbraw/zinc/35/20/20/157352020.db2.gz UAVKCTBRBPFQKO-FUHIMQAGSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541022 157352024 /nfs/dbraw/zinc/35/20/24/157352024.db2.gz UAVKCTBRBPFQKO-FUHIMQAGSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000372541022 157352029 /nfs/dbraw/zinc/35/20/29/157352029.db2.gz UAVKCTBRBPFQKO-FUHIMQAGSA-N 2 2 341.503 3.281 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000069833366 161631297 /nfs/dbraw/zinc/63/12/97/161631297.db2.gz HVZSXBVPEMXLNZ-GJZGRUSLSA-N 2 2 345.512 3.351 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000101544236 162050058 /nfs/dbraw/zinc/05/00/58/162050058.db2.gz WDZJQOJGWXIHTI-UHFFFAOYSA-N 2 2 335.407 3.291 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000101544236 162050059 /nfs/dbraw/zinc/05/00/59/162050059.db2.gz WDZJQOJGWXIHTI-UHFFFAOYSA-N 2 2 335.407 3.291 20 0 EGADLP COCC[N@H+](C)CC[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110541156 162130658 /nfs/dbraw/zinc/13/06/58/162130658.db2.gz KBDMEOWPUXBRHC-SFHVURJKSA-N 2 2 340.471 3.476 20 0 EGADLP COCC[N@@H+](C)CC[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110541156 162130667 /nfs/dbraw/zinc/13/06/67/162130667.db2.gz KBDMEOWPUXBRHC-SFHVURJKSA-N 2 2 340.471 3.476 20 0 EGADLP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000113934206 162219657 /nfs/dbraw/zinc/21/96/57/162219657.db2.gz DLIPGPWVXFISJZ-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000113934206 162219659 /nfs/dbraw/zinc/21/96/59/162219659.db2.gz DLIPGPWVXFISJZ-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113934206 162219661 /nfs/dbraw/zinc/21/96/61/162219661.db2.gz DLIPGPWVXFISJZ-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113934206 162219662 /nfs/dbraw/zinc/21/96/62/162219662.db2.gz DLIPGPWVXFISJZ-JKSUJKDBSA-N 2 2 334.460 3.153 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131139917 162392159 /nfs/dbraw/zinc/39/21/59/162392159.db2.gz IHMQGAJMJUYQIK-WQVCFCJDSA-N 2 2 330.394 3.465 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000131139917 162392164 /nfs/dbraw/zinc/39/21/64/162392164.db2.gz IHMQGAJMJUYQIK-WQVCFCJDSA-N 2 2 330.394 3.465 20 0 EGADLP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483925 163009368 /nfs/dbraw/zinc/00/93/68/163009368.db2.gz JSERZDPCCJMWMB-DYXWJJEUSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483925 163009370 /nfs/dbraw/zinc/00/93/70/163009370.db2.gz JSERZDPCCJMWMB-DYXWJJEUSA-N 3 2 344.547 3.146 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000305110381 163074656 /nfs/dbraw/zinc/07/46/56/163074656.db2.gz FPEDBNLGQDNKAG-CJNGLKHVSA-N 2 2 333.501 3.000 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000305161551 163076342 /nfs/dbraw/zinc/07/63/42/163076342.db2.gz XDQMMYJLAYLKPC-DTWKUNHWSA-N 2 2 325.667 3.220 20 0 EGADLP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)SC1CCCCC1 ZINC000337257075 163182726 /nfs/dbraw/zinc/18/27/26/163182726.db2.gz TXGKVWFHIJKTNG-QGZVFWFLSA-N 2 2 326.550 3.097 20 0 EGADLP C(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)SC1CCCCC1 ZINC000337257075 163182728 /nfs/dbraw/zinc/18/27/28/163182728.db2.gz TXGKVWFHIJKTNG-QGZVFWFLSA-N 2 2 326.550 3.097 20 0 EGADLP CCc1nc2cc(C[NH2+][C@@H]3C[N@H+](CC)C[C@@H]3C)ccc2n1C1CC1 ZINC000338462992 163232820 /nfs/dbraw/zinc/23/28/20/163232820.db2.gz WQNVZHJBKSFKLO-KBXCAEBGSA-N 2 2 326.488 3.363 20 0 EGADLP CCc1nc2cc(C[NH2+][C@@H]3C[N@@H+](CC)C[C@@H]3C)ccc2n1C1CC1 ZINC000338462992 163232823 /nfs/dbraw/zinc/23/28/23/163232823.db2.gz WQNVZHJBKSFKLO-KBXCAEBGSA-N 2 2 326.488 3.363 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)cnc21 ZINC000343721726 164020441 /nfs/dbraw/zinc/02/04/41/164020441.db2.gz CXOPSYGYGAKTBE-UHFFFAOYSA-N 2 2 327.476 3.072 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CCC4(CCC[N@H+]4C)CC3)cnc21 ZINC000343721726 164020442 /nfs/dbraw/zinc/02/04/42/164020442.db2.gz CXOPSYGYGAKTBE-UHFFFAOYSA-N 2 2 327.476 3.072 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)sc1Br ZINC000343815813 164041512 /nfs/dbraw/zinc/04/15/12/164041512.db2.gz ZMUCLNHTXXYOJI-SNVBAGLBSA-N 2 2 328.279 3.441 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000344041037 164089377 /nfs/dbraw/zinc/08/93/77/164089377.db2.gz JFLVNCOYYVZLEW-CAMMJAKZSA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000344041037 164089378 /nfs/dbraw/zinc/08/93/78/164089378.db2.gz JFLVNCOYYVZLEW-CAMMJAKZSA-N 2 2 332.488 3.074 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000344267961 164141974 /nfs/dbraw/zinc/14/19/74/164141974.db2.gz YNEJDGVSVDBREQ-QFBILLFUSA-N 2 2 326.488 3.426 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000344267961 164141976 /nfs/dbraw/zinc/14/19/76/164141976.db2.gz YNEJDGVSVDBREQ-QFBILLFUSA-N 2 2 326.488 3.426 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@@H+]1C ZINC000344319337 164155198 /nfs/dbraw/zinc/15/51/98/164155198.db2.gz BRXPRSIYMSCKEL-UZLBHIALSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCC[N@H+]1C ZINC000344319337 164155201 /nfs/dbraw/zinc/15/52/01/164155201.db2.gz BRXPRSIYMSCKEL-UZLBHIALSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@@H+]1C ZINC000344328193 164157663 /nfs/dbraw/zinc/15/76/63/164157663.db2.gz QSCBFUXNCSEHSZ-UZLBHIALSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@H+]1C ZINC000344328193 164157665 /nfs/dbraw/zinc/15/76/65/164157665.db2.gz QSCBFUXNCSEHSZ-UZLBHIALSA-N 2 2 325.456 3.233 20 0 EGADLP CC(C)n1cc(C[NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000344409059 164171929 /nfs/dbraw/zinc/17/19/29/164171929.db2.gz NDEGJFFVTHKKJD-UHFFFAOYSA-N 2 2 348.535 3.367 20 0 EGADLP CC(C)n1cc(C[NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000344409059 164171930 /nfs/dbraw/zinc/17/19/30/164171930.db2.gz NDEGJFFVTHKKJD-UHFFFAOYSA-N 2 2 348.535 3.367 20 0 EGADLP CC[N@@H+]1C[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000345946504 164301840 /nfs/dbraw/zinc/30/18/40/164301840.db2.gz GIMLYUYQRFOLID-CVEARBPZSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000345946504 164301841 /nfs/dbraw/zinc/30/18/41/164301841.db2.gz GIMLYUYQRFOLID-CVEARBPZSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000345946510 164301878 /nfs/dbraw/zinc/30/18/78/164301878.db2.gz GIMLYUYQRFOLID-JKSUJKDBSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000345946510 164301880 /nfs/dbraw/zinc/30/18/80/164301880.db2.gz GIMLYUYQRFOLID-JKSUJKDBSA-N 2 2 339.439 3.429 20 0 EGADLP C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000345977043 164307717 /nfs/dbraw/zinc/30/77/17/164307717.db2.gz JJIGPQRABBWDCX-KRWDZBQOSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000345977043 164307719 /nfs/dbraw/zinc/30/77/19/164307719.db2.gz JJIGPQRABBWDCX-KRWDZBQOSA-N 2 2 348.450 3.009 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178677 164358015 /nfs/dbraw/zinc/35/80/15/164358015.db2.gz SEBIHUFMNVZVLW-CVEARBPZSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178677 164358016 /nfs/dbraw/zinc/35/80/16/164358016.db2.gz SEBIHUFMNVZVLW-CVEARBPZSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178677 164358017 /nfs/dbraw/zinc/35/80/17/164358017.db2.gz SEBIHUFMNVZVLW-CVEARBPZSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178677 164358018 /nfs/dbraw/zinc/35/80/18/164358018.db2.gz SEBIHUFMNVZVLW-CVEARBPZSA-N 2 2 349.544 3.158 20 0 EGADLP CC[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000352043400 165206788 /nfs/dbraw/zinc/20/67/88/165206788.db2.gz CXDZPPKYEQJFOZ-LJQANCHMSA-N 2 2 333.545 3.026 20 0 EGADLP CC[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000352043400 165206790 /nfs/dbraw/zinc/20/67/90/165206790.db2.gz CXDZPPKYEQJFOZ-LJQANCHMSA-N 2 2 333.545 3.026 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCSCc2ccccc2F)s1 ZINC000352256020 165312486 /nfs/dbraw/zinc/31/24/86/165312486.db2.gz FRAQYEYEUWPMAP-UHFFFAOYSA-N 2 2 339.505 3.367 20 0 EGADLP COc1cc(C)c(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1OC ZINC000352321613 165341258 /nfs/dbraw/zinc/34/12/58/165341258.db2.gz ZJCPONJRGFIVSA-UHFFFAOYSA-N 2 2 341.455 3.038 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCOCC1 ZINC000353535996 165795014 /nfs/dbraw/zinc/79/50/14/165795014.db2.gz LTVCEJZAWLPMQF-UZLBHIALSA-N 2 2 332.463 3.320 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c[nH+]1 ZINC000355142337 166117021 /nfs/dbraw/zinc/11/70/21/166117021.db2.gz XWOUVNJFAYSQNB-VQTJNVASSA-N 2 2 328.431 3.218 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000359051522 167051633 /nfs/dbraw/zinc/05/16/33/167051633.db2.gz ZUGYCEKOXJRZAE-HKUYNNGSSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000359051522 167051636 /nfs/dbraw/zinc/05/16/36/167051636.db2.gz ZUGYCEKOXJRZAE-HKUYNNGSSA-N 2 2 334.504 3.191 20 0 EGADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000359071127 167057977 /nfs/dbraw/zinc/05/79/77/167057977.db2.gz PHXXDDCXFULYPP-VQSBYGRUSA-N 2 2 341.499 3.481 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1F ZINC000359223637 167100232 /nfs/dbraw/zinc/10/02/32/167100232.db2.gz KRFBVXQYYJCNCQ-PBHICJAKSA-N 2 2 328.859 3.223 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359304454 167120067 /nfs/dbraw/zinc/12/00/67/167120067.db2.gz GYVAIULXVQGWPM-WMZOPIPTSA-N 2 2 349.500 3.257 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000359662068 167204922 /nfs/dbraw/zinc/20/49/22/167204922.db2.gz IVMJVNNJRUTMGG-KSZLIROESA-N 2 2 342.487 3.022 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000359662068 167204925 /nfs/dbraw/zinc/20/49/25/167204925.db2.gz IVMJVNNJRUTMGG-KSZLIROESA-N 2 2 342.487 3.022 20 0 EGADLP Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245955 167281232 /nfs/dbraw/zinc/28/12/32/167281232.db2.gz RDJYQIIXYRIATF-WIYYLYMNSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245955 167281235 /nfs/dbraw/zinc/28/12/35/167281235.db2.gz RDJYQIIXYRIATF-WIYYLYMNSA-N 2 2 335.451 3.053 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000360601154 167367451 /nfs/dbraw/zinc/36/74/51/167367451.db2.gz YDTZUOWGGYDTIQ-HNNXBMFYSA-N 2 2 331.485 3.339 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cn1 ZINC000365115958 168023948 /nfs/dbraw/zinc/02/39/48/168023948.db2.gz XGBREXQJQVHZCY-SFHVURJKSA-N 2 2 341.459 3.025 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000366162627 168089439 /nfs/dbraw/zinc/08/94/39/168089439.db2.gz HLMKGGQRZWENIK-GOSISDBHSA-N 2 2 330.472 3.161 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000366162627 168089441 /nfs/dbraw/zinc/08/94/41/168089441.db2.gz HLMKGGQRZWENIK-GOSISDBHSA-N 2 2 330.472 3.161 20 0 EGADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441261 168121919 /nfs/dbraw/zinc/12/19/19/168121919.db2.gz FABIFAMQPHICJM-BBRMVZONSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441261 168121922 /nfs/dbraw/zinc/12/19/22/168121922.db2.gz FABIFAMQPHICJM-BBRMVZONSA-N 2 2 339.361 3.364 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000367361608 168214942 /nfs/dbraw/zinc/21/49/42/168214942.db2.gz QTHURSRZRDCKQL-QHAWAJNXSA-N 2 2 349.478 3.069 20 0 EGADLP Brc1cscc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367527194 168237519 /nfs/dbraw/zinc/23/75/19/168237519.db2.gz ZFSCBFCUUVAXPH-UHFFFAOYSA-N 2 2 349.257 3.381 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367666354 168256324 /nfs/dbraw/zinc/25/63/24/168256324.db2.gz MRNNDXGPRFZQPF-IBGZPJMESA-N 2 2 334.460 3.167 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158814220 225089196 /nfs/dbraw/zinc/08/91/96/225089196.db2.gz HNYGBNGLKWSOFF-KBAYOESNSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158814220 225089200 /nfs/dbraw/zinc/08/92/00/225089200.db2.gz HNYGBNGLKWSOFF-KBAYOESNSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158814220 225089204 /nfs/dbraw/zinc/08/92/04/225089204.db2.gz HNYGBNGLKWSOFF-KBAYOESNSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158814220 225089207 /nfs/dbraw/zinc/08/92/07/225089207.db2.gz HNYGBNGLKWSOFF-KBAYOESNSA-N 2 2 340.471 3.138 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000166802882 226169551 /nfs/dbraw/zinc/16/95/51/226169551.db2.gz PIMAZCCBJWIXLT-WOJBJXKFSA-N 2 2 338.499 3.232 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000166802882 226169556 /nfs/dbraw/zinc/16/95/56/226169556.db2.gz PIMAZCCBJWIXLT-WOJBJXKFSA-N 2 2 338.499 3.232 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3cc(C)on3)CC2)c2ccccc2[nH+]1 ZINC000123121911 222220030 /nfs/dbraw/zinc/22/00/30/222220030.db2.gz VXTZUEOOZADKSM-UHFFFAOYSA-N 2 2 336.439 3.416 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000269393196 266286898 /nfs/dbraw/zinc/28/68/98/266286898.db2.gz DKSAYJBXGUQOHU-CQSZACIVSA-N 2 2 331.485 3.135 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)CCc2ccccc2)n1-c1ccccc1 ZINC000273188480 266993382 /nfs/dbraw/zinc/99/33/82/266993382.db2.gz YWNYMKYMRVRHIG-NRFANRHFSA-N 2 2 335.451 3.264 20 0 EGADLP Cc1[nH+]c2ccccc2c(NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000273400570 267034444 /nfs/dbraw/zinc/03/44/44/267034444.db2.gz WFMADOKWVJXONN-UHFFFAOYSA-N 3 2 326.488 3.290 20 0 EGADLP Cc1cncc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000274366243 267224613 /nfs/dbraw/zinc/22/46/13/267224613.db2.gz JRTACLJRYCCHFP-CRAIPNDOSA-N 2 2 325.460 3.098 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H](c1ccccc1)N(C)C ZINC000274575740 267256673 /nfs/dbraw/zinc/25/66/73/267256673.db2.gz JTLAGUBLGDFYAQ-LAUBAEHRSA-N 2 2 338.499 3.331 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000274845787 267295822 /nfs/dbraw/zinc/29/58/22/267295822.db2.gz DVAXNBNHTUWCFX-QGZVFWFLSA-N 2 2 337.826 3.448 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000274845787 267295824 /nfs/dbraw/zinc/29/58/24/267295824.db2.gz DVAXNBNHTUWCFX-QGZVFWFLSA-N 2 2 337.826 3.448 20 0 EGADLP C[NH+](C)C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC1 ZINC000275632987 267396204 /nfs/dbraw/zinc/39/62/04/267396204.db2.gz BNABEXQTKHNURR-UHFFFAOYSA-N 2 2 349.906 3.019 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461970 268018372 /nfs/dbraw/zinc/01/83/72/268018372.db2.gz MRFLAVISWQTYMW-LAUBAEHRSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461970 268018374 /nfs/dbraw/zinc/01/83/74/268018374.db2.gz MRFLAVISWQTYMW-LAUBAEHRSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461969 268018670 /nfs/dbraw/zinc/01/86/70/268018670.db2.gz MRFLAVISWQTYMW-DYESRHJHSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)c1cccc(N2CCOCC2)c1 ZINC000278461969 268018672 /nfs/dbraw/zinc/01/86/72/268018672.db2.gz MRFLAVISWQTYMW-DYESRHJHSA-N 2 2 343.515 3.191 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489197 268024915 /nfs/dbraw/zinc/02/49/15/268024915.db2.gz BIMZPVJQFWNTRU-KSEOMHKRSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000278489197 268024917 /nfs/dbraw/zinc/02/49/17/268024917.db2.gz BIMZPVJQFWNTRU-KSEOMHKRSA-N 3 2 341.543 3.361 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278527544 268032304 /nfs/dbraw/zinc/03/23/04/268032304.db2.gz SZKGCAVTDPLNTN-NVXWUHKLSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000278527544 268032306 /nfs/dbraw/zinc/03/23/06/268032306.db2.gz SZKGCAVTDPLNTN-NVXWUHKLSA-N 2 2 345.487 3.019 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538390 268034980 /nfs/dbraw/zinc/03/49/80/268034980.db2.gz NWDVWNMJSCHHPC-OLZOCXBDSA-N 2 2 330.394 3.255 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000278538390 268034981 /nfs/dbraw/zinc/03/49/81/268034981.db2.gz NWDVWNMJSCHHPC-OLZOCXBDSA-N 2 2 330.394 3.255 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000278556890 268038992 /nfs/dbraw/zinc/03/89/92/268038992.db2.gz WGIUDQUNDWJOIR-YLJYHZDGSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000278556890 268038993 /nfs/dbraw/zinc/03/89/93/268038993.db2.gz WGIUDQUNDWJOIR-YLJYHZDGSA-N 3 2 327.516 3.113 20 0 EGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000095425796 275053499 /nfs/dbraw/zinc/05/34/99/275053499.db2.gz UWXGKVKZESKTJS-DLBZAZTESA-N 2 2 343.298 3.461 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000090972264 275153885 /nfs/dbraw/zinc/15/38/85/275153885.db2.gz JAGOGSXKYWLULK-QRWLVFNGSA-N 2 2 343.446 3.230 20 0 EGADLP COc1cc(F)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000090972264 275153887 /nfs/dbraw/zinc/15/38/87/275153887.db2.gz JAGOGSXKYWLULK-QRWLVFNGSA-N 2 2 343.446 3.230 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000109786253 275179264 /nfs/dbraw/zinc/17/92/64/275179264.db2.gz RHVVOIKLUBSORL-KRWDZBQOSA-N 2 2 343.515 3.161 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000109786253 275179265 /nfs/dbraw/zinc/17/92/65/275179265.db2.gz RHVVOIKLUBSORL-KRWDZBQOSA-N 2 2 343.515 3.161 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000189025825 275219335 /nfs/dbraw/zinc/21/93/35/275219335.db2.gz FGXOFWJDVNSQJV-VLCRHTCISA-N 2 2 338.495 3.324 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000189025825 275219337 /nfs/dbraw/zinc/21/93/37/275219337.db2.gz FGXOFWJDVNSQJV-VLCRHTCISA-N 2 2 338.495 3.324 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000266113924 275235075 /nfs/dbraw/zinc/23/50/75/275235075.db2.gz NJIQMIQPQZRFNK-LSDHHAIUSA-N 2 2 343.471 3.072 20 0 EGADLP COc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1C ZINC000278619926 275259814 /nfs/dbraw/zinc/25/98/14/275259814.db2.gz FSPBCVDDMBGBHZ-SFHVURJKSA-N 2 2 340.471 3.151 20 0 EGADLP CSC[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697773 275266559 /nfs/dbraw/zinc/26/65/59/275266559.db2.gz SRBZLBHURRKDPB-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278697773 275266561 /nfs/dbraw/zinc/26/65/61/275266561.db2.gz SRBZLBHURRKDPB-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278697773 275266562 /nfs/dbraw/zinc/26/65/62/275266562.db2.gz SRBZLBHURRKDPB-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CSC[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278697773 275266564 /nfs/dbraw/zinc/26/65/64/275266564.db2.gz SRBZLBHURRKDPB-MOPGFXCFSA-N 2 2 334.529 3.105 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000279665292 275348128 /nfs/dbraw/zinc/34/81/28/275348128.db2.gz GWGQPVXLJPDVCQ-GFCCVEGCSA-N 2 2 326.282 3.369 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000285574243 275891019 /nfs/dbraw/zinc/89/10/19/275891019.db2.gz ICUUVHRKRFDIHU-HXUWFJFHSA-N 2 2 336.439 3.250 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947953 276061643 /nfs/dbraw/zinc/06/16/43/276061643.db2.gz MLYAOIDFABWAQZ-PXNSSMCTSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947953 276061645 /nfs/dbraw/zinc/06/16/45/276061645.db2.gz MLYAOIDFABWAQZ-PXNSSMCTSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947955 276061665 /nfs/dbraw/zinc/06/16/65/276061665.db2.gz MLYAOIDFABWAQZ-XLIONFOSSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000286947955 276061667 /nfs/dbraw/zinc/06/16/67/276061667.db2.gz MLYAOIDFABWAQZ-XLIONFOSSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287191211 276094683 /nfs/dbraw/zinc/09/46/83/276094683.db2.gz DCQZTRLULUGLOU-XBVQOTNRSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000287191211 276094685 /nfs/dbraw/zinc/09/46/85/276094685.db2.gz DCQZTRLULUGLOU-XBVQOTNRSA-N 2 2 342.405 3.349 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000287425294 276118640 /nfs/dbraw/zinc/11/86/40/276118640.db2.gz GEBQJUIPWHODQW-UHFFFAOYSA-N 2 2 330.432 3.277 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000287425294 276118641 /nfs/dbraw/zinc/11/86/41/276118641.db2.gz GEBQJUIPWHODQW-UHFFFAOYSA-N 2 2 330.432 3.277 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000287455764 276121058 /nfs/dbraw/zinc/12/10/58/276121058.db2.gz IJLDAKNIEUALFW-HNNXBMFYSA-N 2 2 338.455 3.267 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000287455764 276121060 /nfs/dbraw/zinc/12/10/60/276121060.db2.gz IJLDAKNIEUALFW-HNNXBMFYSA-N 2 2 338.455 3.267 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCO1 ZINC000287455312 276121176 /nfs/dbraw/zinc/12/11/76/276121176.db2.gz LOZICUXIDNOFKV-RYQLBKOJSA-N 2 2 343.475 3.275 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H](C)C1 ZINC000287520029 276128166 /nfs/dbraw/zinc/12/81/66/276128166.db2.gz OMJBMOZUZCQBSZ-XLIONFOSSA-N 2 2 339.483 3.481 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)[C@H](C)C1 ZINC000287520029 276128167 /nfs/dbraw/zinc/12/81/67/276128167.db2.gz OMJBMOZUZCQBSZ-XLIONFOSSA-N 2 2 339.483 3.481 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000287553200 276132318 /nfs/dbraw/zinc/13/23/18/276132318.db2.gz PBHOWEIJHJWIMD-HNNXBMFYSA-N 2 2 326.444 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000287553200 276132321 /nfs/dbraw/zinc/13/23/21/276132321.db2.gz PBHOWEIJHJWIMD-HNNXBMFYSA-N 2 2 326.444 3.340 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175986 /nfs/dbraw/zinc/17/59/86/276175986.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175988 /nfs/dbraw/zinc/17/59/88/276175988.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175989 /nfs/dbraw/zinc/17/59/89/276175989.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231517 276175990 /nfs/dbraw/zinc/17/59/90/276175990.db2.gz TWDBREZTGCEGKY-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000289077452 276287684 /nfs/dbraw/zinc/28/76/84/276287684.db2.gz CZISAJOYDMOMRA-UHFFFAOYSA-N 2 2 339.483 3.309 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000289414116 276335407 /nfs/dbraw/zinc/33/54/07/276335407.db2.gz PSCTTZGGAKMIRV-SFHVURJKSA-N 2 2 330.403 3.106 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cs1 ZINC000290338952 276482364 /nfs/dbraw/zinc/48/23/64/276482364.db2.gz PIZXQLYNTSQSNO-ZDUSSCGKSA-N 2 2 334.489 3.028 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000290448851 276497262 /nfs/dbraw/zinc/49/72/62/276497262.db2.gz SRUPDLLCFKEUNA-HXUWFJFHSA-N 2 2 328.456 3.433 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935075 277177709 /nfs/dbraw/zinc/17/77/09/277177709.db2.gz XYMWBUIUFPPYLI-MAUKXSAKSA-N 2 2 330.863 3.052 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935075 277177710 /nfs/dbraw/zinc/17/77/10/277177710.db2.gz XYMWBUIUFPPYLI-MAUKXSAKSA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935075 277177711 /nfs/dbraw/zinc/17/77/11/277177711.db2.gz XYMWBUIUFPPYLI-MAUKXSAKSA-N 2 2 330.863 3.052 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000352935075 277177712 /nfs/dbraw/zinc/17/77/12/277177712.db2.gz XYMWBUIUFPPYLI-MAUKXSAKSA-N 2 2 330.863 3.052 20 0 EGADLP CCC1CCC([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000344823148 278652417 /nfs/dbraw/zinc/65/24/17/278652417.db2.gz HORAKQLLRKVFAR-GXKRMFDSSA-N 2 2 344.503 3.173 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093716 288073985 /nfs/dbraw/zinc/07/39/85/288073985.db2.gz QZGBATVACZDMJM-UHOSZYNNSA-N 2 2 344.499 3.361 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093716 288073987 /nfs/dbraw/zinc/07/39/87/288073987.db2.gz QZGBATVACZDMJM-UHOSZYNNSA-N 2 2 344.499 3.361 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H]2CCCc3c2cnn3C)[NH+](C)C)cc1 ZINC000133892925 281426647 /nfs/dbraw/zinc/42/66/47/281426647.db2.gz UYKYLLYHUGJHBI-ICSRJNTNSA-N 2 2 326.488 3.252 20 0 EGADLP Cc1nc(N2CCC(C[NH+]3CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000359728112 282009252 /nfs/dbraw/zinc/00/92/52/282009252.db2.gz JAIXSJMTUKKXFW-UHFFFAOYSA-N 2 2 328.504 3.366 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011368 290232487 /nfs/dbraw/zinc/23/24/87/290232487.db2.gz WRCKVCWWXHWSEN-HNAYVOBHSA-N 2 2 333.907 3.466 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011368 290232491 /nfs/dbraw/zinc/23/24/91/290232491.db2.gz WRCKVCWWXHWSEN-HNAYVOBHSA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011368 290232495 /nfs/dbraw/zinc/23/24/95/290232495.db2.gz WRCKVCWWXHWSEN-HNAYVOBHSA-N 2 2 333.907 3.466 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)[C@@H]2C1 ZINC000353011368 290232499 /nfs/dbraw/zinc/23/24/99/290232499.db2.gz WRCKVCWWXHWSEN-HNAYVOBHSA-N 2 2 333.907 3.466 20 0 EGADLP Cc1c[nH+]c(CNCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)n1C ZINC000341054360 302343731 /nfs/dbraw/zinc/34/37/31/302343731.db2.gz UHLDCYAQDISACH-KRWDZBQOSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCc3ccccc3)c2cc1C ZINC000051404587 307330703 /nfs/dbraw/zinc/33/07/03/307330703.db2.gz IIHPOPGPKKMEJL-IBGZPJMESA-N 2 2 337.467 3.189 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCc3ccccc3)c2cc1C ZINC000051404587 307330705 /nfs/dbraw/zinc/33/07/05/307330705.db2.gz IIHPOPGPKKMEJL-IBGZPJMESA-N 2 2 337.467 3.189 20 0 EGADLP CC1CC[NH+](CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000136234556 307710199 /nfs/dbraw/zinc/71/01/99/307710199.db2.gz RKCZQIMDKZGHHJ-UHFFFAOYSA-N 2 2 332.835 3.196 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC(c2ccccc2)c2ccccc2)n1C ZINC000414271821 309069876 /nfs/dbraw/zinc/06/98/76/309069876.db2.gz WSRCBUHTQMCTBX-UHFFFAOYSA-N 2 2 334.467 3.408 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C3CCC4(CCOCC4)CC3)CC2)nc1 ZINC000414359088 309075181 /nfs/dbraw/zinc/07/51/81/309075181.db2.gz CYTKZSVDDHJIFE-UHFFFAOYSA-N 2 2 343.515 3.375 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(-c2ccncc2)cc1 ZINC000414372791 309076179 /nfs/dbraw/zinc/07/61/79/309076179.db2.gz XYLBZIPMZYCWCH-HNNXBMFYSA-N 2 2 335.455 3.399 20 0 EGADLP C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249207418 308021190 /nfs/dbraw/zinc/02/11/90/308021190.db2.gz WQMQNALBVQQXRT-RVKKMQEKSA-N 2 2 330.451 3.348 20 0 EGADLP C[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000249207418 308021191 /nfs/dbraw/zinc/02/11/91/308021191.db2.gz WQMQNALBVQQXRT-RVKKMQEKSA-N 2 2 330.451 3.348 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000414441614 309080277 /nfs/dbraw/zinc/08/02/77/309080277.db2.gz JSGRUFQQQRMKJH-IFXJQAMLSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000414441614 309080278 /nfs/dbraw/zinc/08/02/78/309080278.db2.gz JSGRUFQQQRMKJH-IFXJQAMLSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000414441614 309080279 /nfs/dbraw/zinc/08/02/79/309080279.db2.gz JSGRUFQQQRMKJH-IFXJQAMLSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000414441614 309080280 /nfs/dbraw/zinc/08/02/80/309080280.db2.gz JSGRUFQQQRMKJH-IFXJQAMLSA-N 2 2 330.451 3.092 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292872769 308074727 /nfs/dbraw/zinc/07/47/27/308074727.db2.gz WPLABPZBRCCZMH-OAQYLSRUSA-N 3 2 329.532 3.172 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292872769 308074729 /nfs/dbraw/zinc/07/47/29/308074729.db2.gz WPLABPZBRCCZMH-OAQYLSRUSA-N 3 2 329.532 3.172 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292872769 308074731 /nfs/dbraw/zinc/07/47/31/308074731.db2.gz WPLABPZBRCCZMH-OAQYLSRUSA-N 3 2 329.532 3.172 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292872769 308074733 /nfs/dbraw/zinc/07/47/33/308074733.db2.gz WPLABPZBRCCZMH-OAQYLSRUSA-N 3 2 329.532 3.172 20 0 EGADLP C[NH+](C)Cc1cccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000293299499 308118216 /nfs/dbraw/zinc/11/82/16/308118216.db2.gz HSBPYNZRQAUECD-SFHVURJKSA-N 2 2 327.476 3.278 20 0 EGADLP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670245 308151339 /nfs/dbraw/zinc/15/13/39/308151339.db2.gz JRXZUESHZBQLPX-YJBOKZPZSA-N 2 2 345.466 3.135 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670245 308151340 /nfs/dbraw/zinc/15/13/40/308151340.db2.gz JRXZUESHZBQLPX-YJBOKZPZSA-N 2 2 345.466 3.135 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000414540953 309087456 /nfs/dbraw/zinc/08/74/56/309087456.db2.gz HXEKTFYUAXJCLA-INIZCTEOSA-N 2 2 331.485 3.214 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000414540953 309087457 /nfs/dbraw/zinc/08/74/57/309087457.db2.gz HXEKTFYUAXJCLA-INIZCTEOSA-N 2 2 331.485 3.214 20 0 EGADLP COc1ccc([C@@H](C[NH2+]Cc2ccncc2C)[NH+]2CCCC2)cc1 ZINC000294688261 308245990 /nfs/dbraw/zinc/24/59/90/308245990.db2.gz FVMUGRURIORKCE-HXUWFJFHSA-N 2 2 325.456 3.325 20 0 EGADLP COCC1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000295794558 308360503 /nfs/dbraw/zinc/36/05/03/308360503.db2.gz SHOLXFDNSVZMSQ-LRYGQEGESA-N 2 2 331.504 3.402 20 0 EGADLP CCC[NH2+][C@@H](C)C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000295801583 308361361 /nfs/dbraw/zinc/36/13/61/308361361.db2.gz SSVGBLXLRNLIDM-HNNXBMFYSA-N 2 2 342.487 3.150 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nnn1-c1ccc(C)cc1 ZINC000295936588 308376364 /nfs/dbraw/zinc/37/63/64/308376364.db2.gz LDQARNWLRPJUGP-DJXYKJKZSA-N 2 2 339.487 3.160 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nnn1-c1ccc(C)cc1 ZINC000295936588 308376366 /nfs/dbraw/zinc/37/63/66/308376366.db2.gz LDQARNWLRPJUGP-DJXYKJKZSA-N 2 2 339.487 3.160 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414769901 309099834 /nfs/dbraw/zinc/09/98/34/309099834.db2.gz ODEVZDFVVUYBME-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414769901 309099835 /nfs/dbraw/zinc/09/98/35/309099835.db2.gz ODEVZDFVVUYBME-LPHOPBHVSA-N 2 2 325.456 3.220 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000298260194 308598339 /nfs/dbraw/zinc/59/83/39/308598339.db2.gz GGOCCBZMSPNRKI-ZDUSSCGKSA-N 2 2 342.487 3.234 20 0 EGADLP CC(C)([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414795510 309102012 /nfs/dbraw/zinc/10/20/12/309102012.db2.gz AOMNFJQBGKQXGH-UHFFFAOYSA-N 2 2 331.847 3.419 20 0 EGADLP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414822221 309103822 /nfs/dbraw/zinc/10/38/22/309103822.db2.gz DJHHABDMQXRIEX-NSHDSACASA-N 2 2 337.183 3.310 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414831005 309104216 /nfs/dbraw/zinc/10/42/16/309104216.db2.gz PCYRUTKVHCXDAS-UHFFFAOYSA-N 2 2 330.476 3.013 20 0 EGADLP COc1ccc(Br)c(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414834444 309104575 /nfs/dbraw/zinc/10/45/75/309104575.db2.gz BWXGGLVOIQJUKA-UHFFFAOYSA-N 2 2 327.266 3.209 20 0 EGADLP Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc(C(C)C)[nH+]1 ZINC000301076807 308687369 /nfs/dbraw/zinc/68/73/69/308687369.db2.gz QDXKYXJPFBDMAG-GOSISDBHSA-N 2 2 340.471 3.394 20 0 EGADLP COc1cccc2c(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc[nH+]c12 ZINC000302525264 308738923 /nfs/dbraw/zinc/73/89/23/308738923.db2.gz JYDQVFGSDKTSPG-HNNXBMFYSA-N 2 2 336.439 3.436 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000309965106 308763211 /nfs/dbraw/zinc/76/32/11/308763211.db2.gz KKTJWNPRUIWMAT-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP CC(C)c1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000333711660 308866349 /nfs/dbraw/zinc/86/63/49/308866349.db2.gz SKGGHMMFBOPCEM-APWZRJJASA-N 2 2 346.519 3.446 20 0 EGADLP Cc1cc(N)nc(SCc2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC000412987524 309010974 /nfs/dbraw/zinc/01/09/74/309010974.db2.gz KFSGLEMQRYEUKA-UHFFFAOYSA-N 2 2 328.485 3.476 20 0 EGADLP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414866984 309106261 /nfs/dbraw/zinc/10/62/61/309106261.db2.gz FUBTZANLJRFXPJ-ZYHUDNBSSA-N 2 2 342.283 3.010 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000414876772 309106845 /nfs/dbraw/zinc/10/68/45/309106845.db2.gz DWXXSHZRORYOPH-RTBURBONSA-N 2 2 332.394 3.209 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)CC[NH3+])cc3)[nH+]c12 ZINC000414901348 309108329 /nfs/dbraw/zinc/10/83/29/309108329.db2.gz WXTUHHLXHFIIIA-INIZCTEOSA-N 3 2 338.455 3.049 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)cc1 ZINC000414903388 309108415 /nfs/dbraw/zinc/10/84/15/309108415.db2.gz JUEHCXCEHPDGQZ-OAHLLOKOSA-N 2 2 331.485 3.262 20 0 EGADLP COc1cc(C[NH2+][C@H](C)C[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000414928084 309109560 /nfs/dbraw/zinc/10/95/60/309109560.db2.gz LWAODHQXAYEYAO-CYBMUJFWSA-N 2 2 334.847 3.364 20 0 EGADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414925997 309109706 /nfs/dbraw/zinc/10/97/06/309109706.db2.gz JNXAKZRIFUPMSU-HNNXBMFYSA-N 2 2 334.414 3.223 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414962309 309111593 /nfs/dbraw/zinc/11/15/93/309111593.db2.gz WIMXHIGNHYQBTD-XKQJLSEDSA-N 2 2 338.879 3.128 20 0 EGADLP Cc1cc(N)cc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000414963709 309111820 /nfs/dbraw/zinc/11/18/20/309111820.db2.gz LJFNKSXRSNTOCI-UHFFFAOYSA-N 2 2 330.501 3.090 20 0 EGADLP Cc1cc(N)cc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000414963709 309111821 /nfs/dbraw/zinc/11/18/21/309111821.db2.gz LJFNKSXRSNTOCI-UHFFFAOYSA-N 2 2 330.501 3.090 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2CC)ccc1OC ZINC000415063266 309117812 /nfs/dbraw/zinc/11/78/12/309117812.db2.gz HMZKLGIAIMGRAP-SFHVURJKSA-N 2 2 328.456 3.446 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc2c1OCCCO2 ZINC000415073538 309118306 /nfs/dbraw/zinc/11/83/06/309118306.db2.gz ZLXRBPFQNVJKMI-SFHVURJKSA-N 2 2 326.440 3.200 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415103167 309120577 /nfs/dbraw/zinc/12/05/77/309120577.db2.gz CSOIRFCXQQUGOS-DZGCQCFKSA-N 2 2 331.485 3.235 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)cc1 ZINC000415103167 309120578 /nfs/dbraw/zinc/12/05/78/309120578.db2.gz CSOIRFCXQQUGOS-DZGCQCFKSA-N 2 2 331.485 3.235 20 0 EGADLP CCCCCN(C)c1ccc(F)cc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415108093 309120838 /nfs/dbraw/zinc/12/08/38/309120838.db2.gz KEZBQPXSLJSAIB-SFHVURJKSA-N 2 2 337.483 3.002 20 0 EGADLP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415108093 309120839 /nfs/dbraw/zinc/12/08/39/309120839.db2.gz KEZBQPXSLJSAIB-SFHVURJKSA-N 2 2 337.483 3.002 20 0 EGADLP CCn1c[nH+]cc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418035010 309232515 /nfs/dbraw/zinc/23/25/15/309232515.db2.gz DXKIJHJJHNXMEV-AWEZNQCLSA-N 2 2 347.768 3.398 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296343 309279932 /nfs/dbraw/zinc/27/99/32/309279932.db2.gz DJLQVIKLFDWVQU-CXAGYDPISA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1Cl ZINC000420296343 309279933 /nfs/dbraw/zinc/27/99/33/309279933.db2.gz DJLQVIKLFDWVQU-CXAGYDPISA-N 2 2 326.843 3.242 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000420301142 309280415 /nfs/dbraw/zinc/28/04/15/309280415.db2.gz AGBNLHPCEFVOEC-IYBDPMFKSA-N 2 2 349.434 3.155 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000420301142 309280416 /nfs/dbraw/zinc/28/04/16/309280416.db2.gz AGBNLHPCEFVOEC-IYBDPMFKSA-N 2 2 349.434 3.155 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420307869 309280651 /nfs/dbraw/zinc/28/06/51/309280651.db2.gz NBQZWOWQRNECSF-QGZVFWFLSA-N 2 2 335.423 3.274 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420307869 309280652 /nfs/dbraw/zinc/28/06/52/309280652.db2.gz NBQZWOWQRNECSF-QGZVFWFLSA-N 2 2 335.423 3.274 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)cc1OC ZINC000420315915 309281643 /nfs/dbraw/zinc/28/16/43/309281643.db2.gz LUTLIESAEPEZFX-GOSISDBHSA-N 2 2 349.500 3.290 20 0 EGADLP C[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)C1CC([NH3+])C1 ZINC000420322524 309282034 /nfs/dbraw/zinc/28/20/34/309282034.db2.gz AHKIQBDXPJFKES-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP C[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)C1CC([NH3+])C1 ZINC000420322524 309282035 /nfs/dbraw/zinc/28/20/35/309282035.db2.gz AHKIQBDXPJFKES-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccc(Cl)cc1Cl ZINC000420357280 309283871 /nfs/dbraw/zinc/28/38/71/309283871.db2.gz HCDUANIBGHKKHB-IINYFYTJSA-N 2 2 346.302 3.134 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1Cl ZINC000420366439 309284518 /nfs/dbraw/zinc/28/45/18/309284518.db2.gz UOTFJVWQPAKIBT-GUYCJALGSA-N 2 2 337.895 3.014 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000420385783 309285789 /nfs/dbraw/zinc/28/57/89/309285789.db2.gz FHYQJMJFWPZOPV-QAPCUYQASA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000420385783 309285790 /nfs/dbraw/zinc/28/57/90/309285790.db2.gz FHYQJMJFWPZOPV-QAPCUYQASA-N 2 2 329.419 3.445 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420389249 309285838 /nfs/dbraw/zinc/28/58/38/309285838.db2.gz HJOJHQJNFIWJPH-RHSMWYFYSA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420389249 309285839 /nfs/dbraw/zinc/28/58/39/309285839.db2.gz HJOJHQJNFIWJPH-RHSMWYFYSA-N 2 2 330.451 3.159 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392036 309285993 /nfs/dbraw/zinc/28/59/93/309285993.db2.gz IVLZGGSZQCOAHZ-HIFRSBDPSA-N 2 2 334.414 3.395 20 0 EGADLP FC(F)n1c2ccccc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392036 309285994 /nfs/dbraw/zinc/28/59/94/309285994.db2.gz IVLZGGSZQCOAHZ-HIFRSBDPSA-N 2 2 334.414 3.395 20 0 EGADLP CC(C)(C)[C@@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(F)cc1F ZINC000420393361 309286088 /nfs/dbraw/zinc/28/60/88/309286088.db2.gz BZVGQJQURZACBQ-AWEZNQCLSA-N 2 2 338.402 3.419 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1c(F)cccc1Cl ZINC000420395229 309286370 /nfs/dbraw/zinc/28/63/70/309286370.db2.gz DEPBGUNWPORCIV-DQYPLSBCSA-N 2 2 336.838 3.061 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000420409791 309286841 /nfs/dbraw/zinc/28/68/41/309286841.db2.gz QXGSODDVMYJFHO-KGLIPLIRSA-N 2 2 349.475 3.278 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000420409791 309286842 /nfs/dbraw/zinc/28/68/42/309286842.db2.gz QXGSODDVMYJFHO-KGLIPLIRSA-N 2 2 349.475 3.278 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000420407027 309286924 /nfs/dbraw/zinc/28/69/24/309286924.db2.gz VCVCPIMQQRHVFH-RHSMWYFYSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000420407027 309286925 /nfs/dbraw/zinc/28/69/25/309286925.db2.gz VCVCPIMQQRHVFH-RHSMWYFYSA-N 2 2 329.419 3.445 20 0 EGADLP C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420419293 309287064 /nfs/dbraw/zinc/28/70/64/309287064.db2.gz XMGYQTYXTNVRDD-YVWKXTFCSA-N 2 2 337.467 3.283 20 0 EGADLP C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420419293 309287065 /nfs/dbraw/zinc/28/70/65/309287065.db2.gz XMGYQTYXTNVRDD-YVWKXTFCSA-N 2 2 337.467 3.283 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000420805650 309295753 /nfs/dbraw/zinc/29/57/53/309295753.db2.gz OVCWDMIDQBXFOL-IFXJQAMLSA-N 2 2 332.492 3.008 20 0 EGADLP C[N@H+](CCc1cccs1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917124 309300938 /nfs/dbraw/zinc/30/09/38/309300938.db2.gz QNWMMRNCDOWZLY-UHFFFAOYSA-N 2 2 330.497 3.255 20 0 EGADLP C[N@@H+](CCc1cccs1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917124 309300939 /nfs/dbraw/zinc/30/09/39/309300939.db2.gz QNWMMRNCDOWZLY-UHFFFAOYSA-N 2 2 330.497 3.255 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[C@@H]1C ZINC000420921371 309301130 /nfs/dbraw/zinc/30/11/30/309301130.db2.gz LGRLHMNQUVVZPY-RXVVDRJESA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[C@@H]1C ZINC000420921371 309301131 /nfs/dbraw/zinc/30/11/31/309301131.db2.gz LGRLHMNQUVVZPY-RXVVDRJESA-N 2 2 346.515 3.156 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421071802 309311648 /nfs/dbraw/zinc/31/16/48/309311648.db2.gz VJYYKKDDGPQIFV-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421574548 309330353 /nfs/dbraw/zinc/33/03/53/309330353.db2.gz GINLJTFTYMBZAH-HXUWFJFHSA-N 2 2 337.467 3.227 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421574548 309330354 /nfs/dbraw/zinc/33/03/54/309330354.db2.gz GINLJTFTYMBZAH-HXUWFJFHSA-N 2 2 337.467 3.227 20 0 EGADLP Cn1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(-c2ccccc2Cl)n1 ZINC000422561936 309361624 /nfs/dbraw/zinc/36/16/24/309361624.db2.gz OJMNKVALNWFXRW-UHFFFAOYSA-N 2 2 330.863 3.068 20 0 EGADLP CC(C)(CC[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000422562151 309361729 /nfs/dbraw/zinc/36/17/29/309361729.db2.gz AGHNMUMRBNOWAE-UHFFFAOYSA-N 2 2 341.459 3.135 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422695038 309363319 /nfs/dbraw/zinc/36/33/19/309363319.db2.gz OWVZYDWXBNRGOO-KSSFIOAISA-N 2 2 327.428 3.113 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422727329 309365239 /nfs/dbraw/zinc/36/52/39/309365239.db2.gz CDKIWFJCQPZAPE-QXAKKESOSA-N 2 2 343.540 3.433 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000422727264 309365406 /nfs/dbraw/zinc/36/54/06/309365406.db2.gz BZKJHMABMAQKEQ-PXNSSMCTSA-N 2 2 340.467 3.122 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(F)cc1Cl ZINC000422735439 309365859 /nfs/dbraw/zinc/36/58/59/309365859.db2.gz UTDRVGXSYJZLCS-GXTWGEPZSA-N 2 2 328.859 3.113 20 0 EGADLP c1sc(-c2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422753957 309366613 /nfs/dbraw/zinc/36/66/13/309366613.db2.gz FNBNUICIGZSSKZ-KZNAEPCWSA-N 2 2 343.496 3.057 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000422789072 309368291 /nfs/dbraw/zinc/36/82/91/309368291.db2.gz SZNDCFSFVCSICY-QMMLZNLJSA-N 2 2 325.500 3.146 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422791493 309368470 /nfs/dbraw/zinc/36/84/70/309368470.db2.gz QFVGTQMDVKTHTQ-OXQOHEQNSA-N 2 2 326.488 3.168 20 0 EGADLP CC[C@@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCC[NH2+]1 ZINC000422791682 309368568 /nfs/dbraw/zinc/36/85/68/309368568.db2.gz QNWZULPJCWNWPG-UXHICEINSA-N 2 2 326.488 3.168 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422838767 309371203 /nfs/dbraw/zinc/37/12/03/309371203.db2.gz XZMKFZWJSCZMBS-BWAGFHJFSA-N 2 2 337.511 3.199 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000422848388 309371970 /nfs/dbraw/zinc/37/19/70/309371970.db2.gz JWTWQLFLDRTCND-WMZOPIPTSA-N 2 2 332.488 3.255 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422864882 309372539 /nfs/dbraw/zinc/37/25/39/309372539.db2.gz WRRBVCZEFUHVAJ-FUHWJXTLSA-N 2 2 326.440 3.336 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N2CCCC2)o1 ZINC000422876268 309373396 /nfs/dbraw/zinc/37/33/96/309373396.db2.gz FKCMVECOOIJNLG-HOJAQTOUSA-N 2 2 341.499 3.273 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422879970 309373612 /nfs/dbraw/zinc/37/36/12/309373612.db2.gz WJLPKTQFHBZDEB-CKEIUWERSA-N 2 2 336.451 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OC[C@@H]2CCCO2)c1 ZINC000422880980 309373716 /nfs/dbraw/zinc/37/37/16/309373716.db2.gz YDJZLOXDDNVLGP-RDJZCZTQSA-N 2 2 341.455 3.211 20 0 EGADLP C[C@@H](NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887465 309374277 /nfs/dbraw/zinc/37/42/77/309374277.db2.gz YTVFZFAWTNXVLH-BEFAXECRSA-N 2 2 341.524 3.045 20 0 EGADLP C[C@@H](NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887465 309374278 /nfs/dbraw/zinc/37/42/78/309374278.db2.gz YTVFZFAWTNXVLH-BEFAXECRSA-N 2 2 341.524 3.045 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422916047 309376091 /nfs/dbraw/zinc/37/60/91/309376091.db2.gz ZQKRFQAUOMQCAP-GOEBONIOSA-N 2 2 337.533 3.090 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422949685 309377635 /nfs/dbraw/zinc/37/76/35/309377635.db2.gz VVPVMHXXTXFAKM-UONOGXRCSA-N 2 2 327.266 3.207 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000422952836 309377843 /nfs/dbraw/zinc/37/78/43/309377843.db2.gz DLNMQFLSNOGTCI-LMNJBCLMSA-N 2 2 340.467 3.163 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000422958805 309378284 /nfs/dbraw/zinc/37/82/84/309378284.db2.gz QAXMKOQZFDCUHS-DJPFJPOOSA-N 2 2 340.467 3.141 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)s1 ZINC000422984681 309379433 /nfs/dbraw/zinc/37/94/33/309379433.db2.gz BFQSPWOBDYUXQI-QJPTWQEYSA-N 2 2 335.300 3.302 20 0 EGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422996662 309380044 /nfs/dbraw/zinc/38/00/44/309380044.db2.gz MPWFAINIRIDFIX-HLNWXESRSA-N 2 2 332.488 3.042 20 0 EGADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)Nc1nccs1 ZINC000423013409 309380965 /nfs/dbraw/zinc/38/09/65/309380965.db2.gz FWPUCGFBVCCWHA-OAGGEKHMSA-N 2 2 344.484 3.231 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000423046913 309382866 /nfs/dbraw/zinc/38/28/66/309382866.db2.gz FITOCZCBYHQIOY-YYFZDKIDSA-N 3 2 326.488 3.191 20 0 EGADLP COCc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2)s1 ZINC000423096395 309385757 /nfs/dbraw/zinc/38/57/57/309385757.db2.gz HQYFIKKPQHEFDT-XYPWUTKMSA-N 2 2 343.496 3.329 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCC[NH2+]1 ZINC000423156910 309388727 /nfs/dbraw/zinc/38/87/27/309388727.db2.gz UNCKMAWODSXVKR-IIMNLJJBSA-N 2 2 327.241 3.306 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCS2 ZINC000423184810 309389506 /nfs/dbraw/zinc/38/95/06/309389506.db2.gz IRQNHKCNOCGKAL-YPMHNXCESA-N 2 2 327.291 3.328 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423230720 309391495 /nfs/dbraw/zinc/39/14/95/309391495.db2.gz FFTUOMJEWGQMDL-HZMBPMFUSA-N 2 2 329.669 3.431 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCS2 ZINC000423232871 309391583 /nfs/dbraw/zinc/39/15/83/309391583.db2.gz IWULMPHPDZQYBI-DGCLKSJQSA-N 2 2 327.291 3.328 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423233644 309391704 /nfs/dbraw/zinc/39/17/04/309391704.db2.gz KHPKXAITRPLABC-UWVGGRQHSA-N 2 2 336.329 3.292 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000423258567 309392678 /nfs/dbraw/zinc/39/26/78/309392678.db2.gz BXAYMXZIZOAVSS-UGSOOPFHSA-N 2 2 345.466 3.273 20 0 EGADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423284868 309394013 /nfs/dbraw/zinc/39/40/13/309394013.db2.gz XHQUGUDZBRZDNN-KRWDZBQOSA-N 2 2 345.531 3.328 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C)C[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000423325607 309395390 /nfs/dbraw/zinc/39/53/90/309395390.db2.gz LTHXSMDLDMGFGC-NXEZZACHSA-N 2 2 327.259 3.485 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423335204 309395654 /nfs/dbraw/zinc/39/56/54/309395654.db2.gz PRQSGEYHQDMXOP-CWFSZBLJSA-N 2 2 339.483 3.449 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423346009 309396295 /nfs/dbraw/zinc/39/62/95/309396295.db2.gz YFICGMAHGUTAOD-ZBFHGGJFSA-N 2 2 330.394 3.167 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423357235 309396781 /nfs/dbraw/zinc/39/67/81/309396781.db2.gz LYAGSXOMFZMMHI-DOIPELPJSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423357235 309396782 /nfs/dbraw/zinc/39/67/82/309396782.db2.gz LYAGSXOMFZMMHI-DOIPELPJSA-N 3 2 327.516 3.019 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423377894 309397832 /nfs/dbraw/zinc/39/78/32/309397832.db2.gz KQHZLANPGJODIA-BXUZGUMPSA-N 2 2 327.266 3.250 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc(OC)c1OC ZINC000423382972 309398026 /nfs/dbraw/zinc/39/80/26/309398026.db2.gz IZKOCVFATIVERE-CXAGYDPISA-N 2 2 336.476 3.141 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383491 309398048 /nfs/dbraw/zinc/39/80/48/309398048.db2.gz JLEXIVFUUQZRTE-VQIMIIECSA-N 3 2 333.520 3.056 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423396602 309398623 /nfs/dbraw/zinc/39/86/23/309398623.db2.gz UAPIWVPEOLABGT-FZKQIMNGSA-N 2 2 333.476 3.082 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CCCN4)CC2)nc1 ZINC000423410861 309398997 /nfs/dbraw/zinc/39/89/97/309398997.db2.gz DSLHHDUKTCUZST-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000423413461 309399342 /nfs/dbraw/zinc/39/93/42/309399342.db2.gz KQDNQUSKJQFJJE-YVEFUNNKSA-N 2 2 347.409 3.017 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423419185 309399466 /nfs/dbraw/zinc/39/94/66/309399466.db2.gz IIALULNIWPBVBN-GUYCJALGSA-N 2 2 326.868 3.158 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423423107 309399819 /nfs/dbraw/zinc/39/98/19/309399819.db2.gz KTNYEHAFLLLZNK-JKSUJKDBSA-N 2 2 341.293 3.258 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CCC[NH2+]1 ZINC000423440635 309400533 /nfs/dbraw/zinc/40/05/33/309400533.db2.gz VTBSBMSKMKSJLV-ZBEGNZNMSA-N 2 2 348.821 3.361 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000423527270 309404978 /nfs/dbraw/zinc/40/49/78/309404978.db2.gz MELACUDFXWXTEM-SJKOYZFVSA-N 2 2 347.894 3.397 20 0 EGADLP FC(F)(F)c1cccc(C2CCC([NH2+]C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000423543964 309405791 /nfs/dbraw/zinc/40/57/91/309405791.db2.gz BYOWZQJYMMBZCL-QWFMPGPPSA-N 2 2 342.405 3.310 20 0 EGADLP Fc1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2cccc(Cl)c2)c1 ZINC000423556231 309406291 /nfs/dbraw/zinc/40/62/91/309406291.db2.gz HYPWQGDWNARJGT-ZWKOTPCHSA-N 2 2 334.822 3.147 20 0 EGADLP Cn1c2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000423815990 309414303 /nfs/dbraw/zinc/41/43/03/309414303.db2.gz VZPIEHJQDLFVKO-CYBMUJFWSA-N 2 2 328.460 3.342 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2[nH+]c1C1CC1 ZINC000423817910 309414381 /nfs/dbraw/zinc/41/43/81/309414381.db2.gz YWNPQPNAJXOKOG-CYBMUJFWSA-N 2 2 326.444 3.169 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425453556 309481013 /nfs/dbraw/zinc/48/10/13/309481013.db2.gz FHTPCMHFIWGZMA-UHFFFAOYSA-N 2 2 330.423 3.341 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)(F)F)c1 ZINC000427850483 309537037 /nfs/dbraw/zinc/53/70/37/309537037.db2.gz PREBPRKJKPMAKX-AAEUAGOBSA-N 2 2 325.334 3.447 20 0 EGADLP Cc1cc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)ccc1F ZINC000427862135 309537315 /nfs/dbraw/zinc/53/73/15/309537315.db2.gz FFXGTQWAYGTZRC-YLJYHZDGSA-N 2 2 336.414 3.420 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000428863842 309563249 /nfs/dbraw/zinc/56/32/49/309563249.db2.gz RXLFQQIJPFAQNR-RYUDHWBXSA-N 2 2 336.423 3.356 20 0 EGADLP Cc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc(C(C)C)[nH+]1 ZINC000431374291 309631251 /nfs/dbraw/zinc/63/12/51/309631251.db2.gz NKBXPTNWVOVBKH-OAHLLOKOSA-N 2 2 325.460 3.435 20 0 EGADLP C[C@H](Nc1[nH+]c2ccc(F)cc2n1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000431424692 309632748 /nfs/dbraw/zinc/63/27/48/309632748.db2.gz ZQAHNFKZOSWESR-UGSOOPFHSA-N 2 2 326.419 3.238 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000431799115 309643492 /nfs/dbraw/zinc/64/34/92/309643492.db2.gz JUIQPUVEEPMFKI-NVXWUHKLSA-N 2 2 337.533 3.120 20 0 EGADLP Cn1c(Nc2ccc(N3CCCCC3)[nH+]c2)[nH+]c2cccc(F)c21 ZINC000443432594 309901040 /nfs/dbraw/zinc/90/10/40/309901040.db2.gz ACEFFEZWCOFSAV-UHFFFAOYSA-N 2 2 325.391 3.263 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1O ZINC000448352466 310002491 /nfs/dbraw/zinc/00/24/91/310002491.db2.gz DGNXMBCHBVITCT-HNAYVOBHSA-N 2 2 334.504 3.432 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1O ZINC000448352466 310002492 /nfs/dbraw/zinc/00/24/92/310002492.db2.gz DGNXMBCHBVITCT-HNAYVOBHSA-N 2 2 334.504 3.432 20 0 EGADLP COc1ccc(-n2cc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cn2)cc1 ZINC000449008604 310028546 /nfs/dbraw/zinc/02/85/46/310028546.db2.gz KISUFRTXGIXWNU-UHFFFAOYSA-N 2 2 342.487 3.186 20 0 EGADLP COc1ccc(-n2cc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cn2)cc1 ZINC000449008604 310028547 /nfs/dbraw/zinc/02/85/47/310028547.db2.gz KISUFRTXGIXWNU-UHFFFAOYSA-N 2 2 342.487 3.186 20 0 EGADLP COc1cccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cccc12 ZINC000449032623 310031466 /nfs/dbraw/zinc/03/14/66/310031466.db2.gz XMEAERIWGGAYLV-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP COc1cccc2c(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cccc12 ZINC000449032623 310031467 /nfs/dbraw/zinc/03/14/67/310031467.db2.gz XMEAERIWGGAYLV-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000449074153 310034986 /nfs/dbraw/zinc/03/49/86/310034986.db2.gz OZROBBWFTWHBES-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000449074153 310034987 /nfs/dbraw/zinc/03/49/87/310034987.db2.gz OZROBBWFTWHBES-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137329 310039569 /nfs/dbraw/zinc/03/95/69/310039569.db2.gz FGKIQLODUOYBKW-RTBURBONSA-N 2 2 333.907 3.111 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000449137329 310039570 /nfs/dbraw/zinc/03/95/70/310039570.db2.gz FGKIQLODUOYBKW-RTBURBONSA-N 2 2 333.907 3.111 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000449388830 310058250 /nfs/dbraw/zinc/05/82/50/310058250.db2.gz QKLFGCIHAIKLGP-HHXXYDBFSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000449388830 310058251 /nfs/dbraw/zinc/05/82/51/310058251.db2.gz QKLFGCIHAIKLGP-HHXXYDBFSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000449395421 310058563 /nfs/dbraw/zinc/05/85/63/310058563.db2.gz IWGDMQGXXJHZMD-WDYCEAGBSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000449395421 310058564 /nfs/dbraw/zinc/05/85/64/310058564.db2.gz IWGDMQGXXJHZMD-WDYCEAGBSA-N 2 2 336.907 3.413 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000449526260 310069128 /nfs/dbraw/zinc/06/91/28/310069128.db2.gz VFBXQDOJNIKNPV-UHFFFAOYSA-N 2 2 347.528 3.095 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450363448 310117979 /nfs/dbraw/zinc/11/79/79/310117979.db2.gz JGIUFVYKRQFBCN-MRXNPFEDSA-N 2 2 343.471 3.181 20 0 EGADLP Nc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495995 310126348 /nfs/dbraw/zinc/12/63/48/310126348.db2.gz AJDMSUMAHIFVJT-AZUAARDMSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495995 310126349 /nfs/dbraw/zinc/12/63/49/310126349.db2.gz AJDMSUMAHIFVJT-AZUAARDMSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450495995 310126350 /nfs/dbraw/zinc/12/63/50/310126350.db2.gz AJDMSUMAHIFVJT-AZUAARDMSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450495995 310126351 /nfs/dbraw/zinc/12/63/51/310126351.db2.gz AJDMSUMAHIFVJT-AZUAARDMSA-N 2 2 336.483 3.150 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450730344 310139885 /nfs/dbraw/zinc/13/98/85/310139885.db2.gz WCIRDTDOOYVWGW-ZIAGYGMSSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450730344 310139886 /nfs/dbraw/zinc/13/98/86/310139886.db2.gz WCIRDTDOOYVWGW-ZIAGYGMSSA-N 2 2 344.425 3.188 20 0 EGADLP CCn1cc[nH+]c1CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000452571217 310232606 /nfs/dbraw/zinc/23/26/06/310232606.db2.gz BKCPDTSSQGAXEA-UHFFFAOYSA-N 2 2 328.460 3.063 20 0 EGADLP CCn1cc[nH+]c1CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000452571217 310232607 /nfs/dbraw/zinc/23/26/07/310232607.db2.gz BKCPDTSSQGAXEA-UHFFFAOYSA-N 2 2 328.460 3.063 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000453056038 310254594 /nfs/dbraw/zinc/25/45/94/310254594.db2.gz KOCGQNKAFUCZLD-QHAWAJNXSA-N 3 2 338.499 3.306 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000453056038 310254595 /nfs/dbraw/zinc/25/45/95/310254595.db2.gz KOCGQNKAFUCZLD-QHAWAJNXSA-N 3 2 338.499 3.306 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109767 310258603 /nfs/dbraw/zinc/25/86/03/310258603.db2.gz AQZNQURXPJTXLX-QFBILLFUSA-N 2 2 330.497 3.344 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109767 310258604 /nfs/dbraw/zinc/25/86/04/310258604.db2.gz AQZNQURXPJTXLX-QFBILLFUSA-N 2 2 330.497 3.344 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453253705 310266944 /nfs/dbraw/zinc/26/69/44/310266944.db2.gz CXDWBVYMOZLYDM-UZLBHIALSA-N 2 2 341.499 3.290 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453253705 310266945 /nfs/dbraw/zinc/26/69/45/310266945.db2.gz CXDWBVYMOZLYDM-UZLBHIALSA-N 2 2 341.499 3.290 20 0 EGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453270200 310268157 /nfs/dbraw/zinc/26/81/57/310268157.db2.gz SBTIPHRLZPQYLU-MJGOQNOKSA-N 2 2 336.545 3.240 20 0 EGADLP CC(C)[C@H](CSc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453270200 310268158 /nfs/dbraw/zinc/26/81/58/310268158.db2.gz SBTIPHRLZPQYLU-MJGOQNOKSA-N 2 2 336.545 3.240 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287206 310269130 /nfs/dbraw/zinc/26/91/30/310269130.db2.gz PTVUSPDBPFHLEG-DQYPLSBCSA-N 2 2 342.405 3.201 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287206 310269131 /nfs/dbraw/zinc/26/91/31/310269131.db2.gz PTVUSPDBPFHLEG-DQYPLSBCSA-N 2 2 342.405 3.201 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000453614557 310284521 /nfs/dbraw/zinc/28/45/21/310284521.db2.gz FHPDRCNEYCWRAG-HXUWFJFHSA-N 2 2 335.451 3.182 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000454311008 310302833 /nfs/dbraw/zinc/30/28/33/310302833.db2.gz CAXYHZRJLUHAQX-QGZVFWFLSA-N 2 2 332.492 3.152 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000454311008 310302834 /nfs/dbraw/zinc/30/28/34/310302834.db2.gz CAXYHZRJLUHAQX-QGZVFWFLSA-N 2 2 332.492 3.152 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3cn4ccccc4[nH+]3)ccc21 ZINC000456284871 310396512 /nfs/dbraw/zinc/39/65/12/310396512.db2.gz ULFJOBUBVDLXCS-SFHVURJKSA-N 2 2 334.423 3.064 20 0 EGADLP Cc1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000459473244 310555041 /nfs/dbraw/zinc/55/50/41/310555041.db2.gz BGXHESLXYPSHRR-UHFFFAOYSA-N 2 2 349.232 3.034 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000479285679 310871820 /nfs/dbraw/zinc/87/18/20/310871820.db2.gz QCFRWDVBUHEQJX-BLLLJJGKSA-N 2 2 325.294 3.310 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[NH+](C)C)cc1 ZINC000488116365 311051959 /nfs/dbraw/zinc/05/19/59/311051959.db2.gz IIUSVUKNECTQMM-HAGHYFMRSA-N 2 2 328.500 3.399 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000488419778 311064658 /nfs/dbraw/zinc/06/46/58/311064658.db2.gz HYTFHNKICMYKFM-HOTGVXAUSA-N 2 2 328.591 3.468 20 0 EGADLP CN(C(=O)/C=C/C1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000492297222 311235235 /nfs/dbraw/zinc/23/52/35/311235235.db2.gz RBLGHWKNVXFOJG-UBGMWTFPSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)/C=C/C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000492297222 311235237 /nfs/dbraw/zinc/23/52/37/311235237.db2.gz RBLGHWKNVXFOJG-UBGMWTFPSA-N 2 2 347.547 3.138 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000492320383 311237683 /nfs/dbraw/zinc/23/76/83/311237683.db2.gz IDVOEOARULSUID-MDZDMXLPSA-N 2 2 338.455 3.192 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000492320383 311237685 /nfs/dbraw/zinc/23/76/85/311237685.db2.gz IDVOEOARULSUID-MDZDMXLPSA-N 2 2 338.455 3.192 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2nnc(C(C)C)s2)n1-c1ccccc1 ZINC000492401094 311246256 /nfs/dbraw/zinc/24/62/56/311246256.db2.gz UTZACFYRSZCYHF-UHFFFAOYSA-N 2 2 341.484 3.488 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000492432012 311250178 /nfs/dbraw/zinc/25/01/78/311250178.db2.gz CPAKJPMPGOESBA-UHFFFAOYSA-N 2 2 333.476 3.312 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492901359 311304929 /nfs/dbraw/zinc/30/49/29/311304929.db2.gz OWWXLLNKFRNWPS-ZBTGYSDGSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492901359 311304930 /nfs/dbraw/zinc/30/49/30/311304930.db2.gz OWWXLLNKFRNWPS-ZBTGYSDGSA-N 2 2 338.455 3.114 20 0 EGADLP CCC(CC)(CNC(=O)C=Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000493582180 311398365 /nfs/dbraw/zinc/39/83/65/311398365.db2.gz KOQMJVKCKPBGLX-JNSOCZORSA-N 2 2 340.471 3.449 20 0 EGADLP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)C1 ZINC000495840245 311619335 /nfs/dbraw/zinc/61/93/35/311619335.db2.gz JOTYLZILVNNIBM-AEFFLSMTSA-N 2 2 333.476 3.169 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000502245823 311961586 /nfs/dbraw/zinc/96/15/86/311961586.db2.gz BQYMJEKXSPAJJV-IAGOWNOFSA-N 2 2 334.504 3.407 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000509879281 312128555 /nfs/dbraw/zinc/12/85/55/312128555.db2.gz SIQHMQUSIGMEIZ-MRXNPFEDSA-N 2 2 334.529 3.274 20 0 EGADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510630118 312145164 /nfs/dbraw/zinc/14/51/64/312145164.db2.gz OGYKAEMWLOCIGY-VQTJNVASSA-N 2 2 347.572 3.463 20 0 EGADLP CC1(C)C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC(C)(C)O1 ZINC000510807738 312148786 /nfs/dbraw/zinc/14/87/86/312148786.db2.gz DCSLDBYDZQGIOL-UHFFFAOYSA-N 2 2 345.531 3.088 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514075 312212046 /nfs/dbraw/zinc/21/20/46/312212046.db2.gz VXSZILKGGHJJGJ-IZZBFERCSA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514075 312212049 /nfs/dbraw/zinc/21/20/49/312212049.db2.gz VXSZILKGGHJJGJ-IZZBFERCSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514075 312212051 /nfs/dbraw/zinc/21/20/51/312212051.db2.gz VXSZILKGGHJJGJ-IZZBFERCSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514075 312212053 /nfs/dbraw/zinc/21/20/53/312212053.db2.gz VXSZILKGGHJJGJ-IZZBFERCSA-N 3 2 329.532 3.217 20 0 EGADLP Cc1ccc2c(C)cc(NC[C@H](C(C)C)[NH+]3CCOCC3)[nH+]c2c1 ZINC000514944601 312256124 /nfs/dbraw/zinc/25/61/24/312256124.db2.gz QZHDVCPBBCYVIO-LJQANCHMSA-N 2 2 327.472 3.042 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000517358859 312375888 /nfs/dbraw/zinc/37/58/88/312375888.db2.gz QEVJFFTUJGIXDV-PKOBYXMFSA-N 2 2 342.483 3.145 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCOCC1 ZINC000527869567 312962026 /nfs/dbraw/zinc/96/20/26/312962026.db2.gz RFCOMLSWGRWSIY-SJKOYZFVSA-N 2 2 326.843 3.024 20 0 EGADLP C/C(Cl)=C\C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000528510095 313108482 /nfs/dbraw/zinc/10/84/82/313108482.db2.gz XABNJPWGIQBIQO-BKMCDNFVSA-N 2 2 333.907 3.021 20 0 EGADLP C/C(Cl)=C\C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000528510095 313108485 /nfs/dbraw/zinc/10/84/85/313108485.db2.gz XABNJPWGIQBIQO-BKMCDNFVSA-N 2 2 333.907 3.021 20 0 EGADLP CCn1cc[nH+]c1CN1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000528639269 313135579 /nfs/dbraw/zinc/13/55/79/313135579.db2.gz LFCAZBDBKHJROK-LJQANCHMSA-N 2 2 326.488 3.245 20 0 EGADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000528774422 313170465 /nfs/dbraw/zinc/17/04/65/313170465.db2.gz VGHFONTXSMBVDM-QGZVFWFLSA-N 2 2 337.458 3.318 20 0 EGADLP C[C@@H]1CC(F)(F)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000528774422 313170468 /nfs/dbraw/zinc/17/04/68/313170468.db2.gz VGHFONTXSMBVDM-QGZVFWFLSA-N 2 2 337.458 3.318 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc(F)cn2)CC1 ZINC000529551763 313353042 /nfs/dbraw/zinc/35/30/42/313353042.db2.gz GUMVTZOKZXVHLE-LJQANCHMSA-N 2 2 328.435 3.102 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc(F)cn2)CC1 ZINC000529551763 313353044 /nfs/dbraw/zinc/35/30/44/313353044.db2.gz GUMVTZOKZXVHLE-LJQANCHMSA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC000529551763 313353047 /nfs/dbraw/zinc/35/30/47/313353047.db2.gz GUMVTZOKZXVHLE-LJQANCHMSA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000529551763 313353051 /nfs/dbraw/zinc/35/30/51/313353051.db2.gz GUMVTZOKZXVHLE-LJQANCHMSA-N 2 2 328.435 3.102 20 0 EGADLP Cc1cc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(C)c[nH+]1 ZINC000536618310 314130995 /nfs/dbraw/zinc/13/09/95/314130995.db2.gz AWDSEAQVDMMUIB-UHFFFAOYSA-N 2 2 344.503 3.240 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695387 314138888 /nfs/dbraw/zinc/13/88/88/314138888.db2.gz AKBTUBIOSLBEIO-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695387 314138892 /nfs/dbraw/zinc/13/88/92/314138892.db2.gz AKBTUBIOSLBEIO-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695387 314138897 /nfs/dbraw/zinc/13/88/97/314138897.db2.gz AKBTUBIOSLBEIO-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695387 314138902 /nfs/dbraw/zinc/13/89/02/314138902.db2.gz AKBTUBIOSLBEIO-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000536840489 314149020 /nfs/dbraw/zinc/14/90/20/314149020.db2.gz QYNDRVKJOTZNLK-UZLBHIALSA-N 2 2 331.504 3.402 20 0 EGADLP COC(=O)c1oc([C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C ZINC000538121445 314227605 /nfs/dbraw/zinc/22/76/05/314227605.db2.gz WCFWZVALXBMTKV-AWEZNQCLSA-N 2 2 343.427 3.407 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123656 314298245 /nfs/dbraw/zinc/29/82/45/314298245.db2.gz WQUKFBRXZGODBH-WFASDCNBSA-N 2 2 328.378 3.200 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123656 314298249 /nfs/dbraw/zinc/29/82/49/314298249.db2.gz WQUKFBRXZGODBH-WFASDCNBSA-N 2 2 328.378 3.200 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000551574789 315159348 /nfs/dbraw/zinc/15/93/48/315159348.db2.gz QJPOLOUWOUHSAZ-MJGOQNOKSA-N 2 2 338.499 3.362 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000551574789 315159349 /nfs/dbraw/zinc/15/93/49/315159349.db2.gz QJPOLOUWOUHSAZ-MJGOQNOKSA-N 2 2 338.499 3.362 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c(C)c[nH+]1 ZINC000551906189 315177267 /nfs/dbraw/zinc/17/72/67/315177267.db2.gz WGEVELLLJMPSCN-KRWDZBQOSA-N 2 2 346.862 3.198 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC1 ZINC000554800759 315349631 /nfs/dbraw/zinc/34/96/31/315349631.db2.gz GMCUNFGMLCTADX-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000555524069 315387684 /nfs/dbraw/zinc/38/76/84/315387684.db2.gz CWFNRDFBITXXGS-IAGOWNOFSA-N 2 2 343.471 3.369 20 0 EGADLP CCc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000557323202 315506868 /nfs/dbraw/zinc/50/68/68/315506868.db2.gz RKTIMIHGGAYQDM-SFHVURJKSA-N 2 2 337.471 3.069 20 0 EGADLP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000563349561 316003694 /nfs/dbraw/zinc/00/36/94/316003694.db2.gz GXRSIPQETFVORD-UHFFFAOYSA-N 2 2 345.487 3.070 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354669 316004755 /nfs/dbraw/zinc/00/47/55/316004755.db2.gz NSTRVNPYHQZOKF-CVEARBPZSA-N 2 2 332.410 3.449 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354669 316004760 /nfs/dbraw/zinc/00/47/60/316004760.db2.gz NSTRVNPYHQZOKF-CVEARBPZSA-N 2 2 332.410 3.449 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)n1-c1ccccc1 ZINC000563550452 316037644 /nfs/dbraw/zinc/03/76/44/316037644.db2.gz RPQPOKYILBFRTG-KRWDZBQOSA-N 2 2 337.398 3.413 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465322 316156262 /nfs/dbraw/zinc/15/62/62/316156262.db2.gz KXRZKAWWIFXDHF-RISCZKNCSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465322 316156265 /nfs/dbraw/zinc/15/62/65/316156265.db2.gz KXRZKAWWIFXDHF-RISCZKNCSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000564490844 316158564 /nfs/dbraw/zinc/15/85/64/316158564.db2.gz JTCXCUNFFVYHJL-RBUKOAKNSA-N 2 2 345.531 3.278 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000564490844 316158565 /nfs/dbraw/zinc/15/85/65/316158565.db2.gz JTCXCUNFFVYHJL-RBUKOAKNSA-N 2 2 345.531 3.278 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)n1C ZINC000565238827 316296866 /nfs/dbraw/zinc/29/68/66/316296866.db2.gz SILFNILLZWSMTA-CYBMUJFWSA-N 2 2 339.270 3.404 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000565432850 316324029 /nfs/dbraw/zinc/32/40/29/316324029.db2.gz OPMWOYIYECPGIK-INIZCTEOSA-N 2 2 340.471 3.334 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568202 316339922 /nfs/dbraw/zinc/33/99/22/316339922.db2.gz WMHOXMVVWBQUIV-LJQANCHMSA-N 3 2 347.522 3.153 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000565568202 316339924 /nfs/dbraw/zinc/33/99/24/316339924.db2.gz WMHOXMVVWBQUIV-LJQANCHMSA-N 3 2 347.522 3.153 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]1 ZINC000565645262 316351429 /nfs/dbraw/zinc/35/14/29/316351429.db2.gz SSGSPLRHBVCFMZ-FZMZJTMJSA-N 2 2 349.276 3.069 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000565658107 316352792 /nfs/dbraw/zinc/35/27/92/316352792.db2.gz IQDZHBWAABMWRP-PMACEKPBSA-N 2 2 342.462 3.426 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000565658107 316352795 /nfs/dbraw/zinc/35/27/95/316352795.db2.gz IQDZHBWAABMWRP-PMACEKPBSA-N 2 2 342.462 3.426 20 0 EGADLP C[C@@H](CCc1ccco1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000565769303 316368147 /nfs/dbraw/zinc/36/81/47/316368147.db2.gz YTPRRYWCIGQKSJ-SFHVURJKSA-N 3 2 341.499 3.184 20 0 EGADLP Cc1[nH]c(CNc2ccc(CC[NH+]3CCSCC3)cc2)[nH+]c1C ZINC000568269263 316752778 /nfs/dbraw/zinc/75/27/78/316752778.db2.gz FFFXIMHMWASKQN-UHFFFAOYSA-N 2 2 330.501 3.230 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295747 317036592 /nfs/dbraw/zinc/03/65/92/317036592.db2.gz MAPNZNMZULWZCW-JKSUJKDBSA-N 2 2 344.503 3.146 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295747 317036602 /nfs/dbraw/zinc/03/66/02/317036602.db2.gz MAPNZNMZULWZCW-JKSUJKDBSA-N 2 2 344.503 3.146 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000570507528 317065672 /nfs/dbraw/zinc/06/56/72/317065672.db2.gz MSKIGJCYYILMHR-XOBRGWDASA-N 2 2 349.478 3.454 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781701 317107093 /nfs/dbraw/zinc/10/70/93/317107093.db2.gz JCTZVTGOGANMIF-IEBWSBKVSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781701 317107095 /nfs/dbraw/zinc/10/70/95/317107095.db2.gz JCTZVTGOGANMIF-IEBWSBKVSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000571038393 317142404 /nfs/dbraw/zinc/14/24/04/317142404.db2.gz SJRXBBIJKIEDKP-XKGZKEIXSA-N 2 2 337.467 3.344 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000571056635 317145402 /nfs/dbraw/zinc/14/54/02/317145402.db2.gz AWPLUGCKPQRGGN-UHFFFAOYSA-N 2 2 342.483 3.044 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000571295461 317180476 /nfs/dbraw/zinc/18/04/76/317180476.db2.gz YQEGHLFSFRSJIE-KRWDZBQOSA-N 2 2 337.826 3.219 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000571295461 317180478 /nfs/dbraw/zinc/18/04/78/317180478.db2.gz YQEGHLFSFRSJIE-KRWDZBQOSA-N 2 2 337.826 3.219 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000571312767 317182423 /nfs/dbraw/zinc/18/24/23/317182423.db2.gz AAYORDDFEYJVQV-YZVOILCLSA-N 2 2 338.455 3.125 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000571637744 317226574 /nfs/dbraw/zinc/22/65/74/317226574.db2.gz ROOJIFQOJMDIAU-UHFFFAOYSA-N 2 2 328.431 3.453 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cc4ccccc4[nH]3)c2cc1C ZINC000572079226 317287405 /nfs/dbraw/zinc/28/74/05/317287405.db2.gz XNIXOIOXMPHHHE-GOSISDBHSA-N 2 2 348.450 3.285 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722914 456052394 /nfs/dbraw/zinc/05/23/94/456052394.db2.gz FVBXCMVKMRURME-WMLDXEAASA-N 2 2 327.875 3.012 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1F ZINC000272722914 456052398 /nfs/dbraw/zinc/05/23/98/456052398.db2.gz FVBXCMVKMRURME-WMLDXEAASA-N 2 2 327.875 3.012 20 0 EGADLP CCc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC000386167090 324267043 /nfs/dbraw/zinc/26/70/43/324267043.db2.gz RNJVGDDADFUQBJ-RTBURBONSA-N 2 2 336.483 3.306 20 0 EGADLP CCc1nc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC000386167090 324267046 /nfs/dbraw/zinc/26/70/46/324267046.db2.gz RNJVGDDADFUQBJ-RTBURBONSA-N 2 2 336.483 3.306 20 0 EGADLP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000578529376 324982821 /nfs/dbraw/zinc/98/28/21/324982821.db2.gz XYLLRKKZMVPMPM-DNVCBOLYSA-N 2 2 336.907 3.445 20 0 EGADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578975762 325044633 /nfs/dbraw/zinc/04/46/33/325044633.db2.gz BLOLFNJJCFASDT-LBPRGKRZSA-N 2 2 335.249 3.055 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)nn1 ZINC000579034551 325052937 /nfs/dbraw/zinc/05/29/37/325052937.db2.gz ZPKOGQPOEXXTHG-UHFFFAOYSA-N 2 2 341.503 3.320 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)nn1 ZINC000579034551 325052940 /nfs/dbraw/zinc/05/29/40/325052940.db2.gz ZPKOGQPOEXXTHG-UHFFFAOYSA-N 2 2 341.503 3.320 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000579370653 325101148 /nfs/dbraw/zinc/10/11/48/325101148.db2.gz NYKRXNLYRJFWAF-INIZCTEOSA-N 2 2 336.907 3.458 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000579370653 325101152 /nfs/dbraw/zinc/10/11/52/325101152.db2.gz NYKRXNLYRJFWAF-INIZCTEOSA-N 2 2 336.907 3.458 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)n1C ZINC000579972636 325185643 /nfs/dbraw/zinc/18/56/43/325185643.db2.gz DTCSBAMUOJILTB-UHFFFAOYSA-N 2 2 333.863 3.220 20 0 EGADLP CC(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000580445556 325251855 /nfs/dbraw/zinc/25/18/55/325251855.db2.gz HSUFTTIKVJDRPE-OAHLLOKOSA-N 2 2 338.411 3.200 20 0 EGADLP CC(=O)c1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000580445556 325251857 /nfs/dbraw/zinc/25/18/57/325251857.db2.gz HSUFTTIKVJDRPE-OAHLLOKOSA-N 2 2 338.411 3.200 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655427 325279574 /nfs/dbraw/zinc/27/95/74/325279574.db2.gz YJWHLCXBWJQWRA-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)C1 ZINC000580655427 325279577 /nfs/dbraw/zinc/27/95/77/325279577.db2.gz YJWHLCXBWJQWRA-TYCQWZJGSA-N 2 2 342.458 3.154 20 0 EGADLP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)c1cccc(Cl)c1 ZINC000580777261 325295176 /nfs/dbraw/zinc/29/51/76/325295176.db2.gz NPIMVQVXSYAPBW-GOSISDBHSA-N 2 2 343.858 3.227 20 0 EGADLP C[C@]1(c2ccccc2)C[N@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067409 325326438 /nfs/dbraw/zinc/32/64/38/325326438.db2.gz KAHMPFFKPLDZOE-FXAWDEMLSA-N 2 2 328.431 3.116 20 0 EGADLP C[C@]1(c2ccccc2)C[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000581067409 325326442 /nfs/dbraw/zinc/32/64/42/325326442.db2.gz KAHMPFFKPLDZOE-FXAWDEMLSA-N 2 2 328.431 3.116 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000581132748 325333362 /nfs/dbraw/zinc/33/33/62/325333362.db2.gz OCVZPQZPKHRQPH-MRXNPFEDSA-N 2 2 339.439 3.101 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000581132748 325333364 /nfs/dbraw/zinc/33/33/64/325333364.db2.gz OCVZPQZPKHRQPH-MRXNPFEDSA-N 2 2 339.439 3.101 20 0 EGADLP Cc1ccc([C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[NH+](C)C)cc1 ZINC000581879297 325395789 /nfs/dbraw/zinc/39/57/89/325395789.db2.gz BRGIPQRZVOYIDO-IBGZPJMESA-N 2 2 343.446 3.355 20 0 EGADLP Cc1cscc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000582058240 325410709 /nfs/dbraw/zinc/41/07/09/325410709.db2.gz UMPDMCYRWPUTNJ-INIZCTEOSA-N 2 2 329.469 3.174 20 0 EGADLP C[C@H]1CN(Cc2ccsc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349272559 456927538 /nfs/dbraw/zinc/92/75/38/456927538.db2.gz ALIDQCWXSQOXHK-ZDUSSCGKSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@H]1CN(Cc2ccsc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349272559 456927540 /nfs/dbraw/zinc/92/75/40/456927540.db2.gz ALIDQCWXSQOXHK-ZDUSSCGKSA-N 2 2 327.925 3.002 20 0 EGADLP [NH3+]CC1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000237817113 455222745 /nfs/dbraw/zinc/22/27/45/455222745.db2.gz SSHCYVICMLSQAS-UHFFFAOYSA-N 2 2 345.830 3.338 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1Cl ZINC000365342373 457744970 /nfs/dbraw/zinc/74/49/70/457744970.db2.gz FDTZKUDAPGVQJD-NEPJUHHUSA-N 2 2 333.234 3.085 20 0 EGADLP C[N@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC[NH+](CCO)CC1 ZINC000432749446 458780188 /nfs/dbraw/zinc/78/01/88/458780188.db2.gz USCRXVGDECLIHR-UHFFFAOYSA-N 2 2 335.250 3.021 20 0 EGADLP C[N@@H+](Cc1ccc(F)c(Cl)c1Cl)C1CC[NH+](CCO)CC1 ZINC000432749446 458780193 /nfs/dbraw/zinc/78/01/93/458780193.db2.gz USCRXVGDECLIHR-UHFFFAOYSA-N 2 2 335.250 3.021 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000560942765 459406212 /nfs/dbraw/zinc/40/62/12/459406212.db2.gz AHKAUZUVMBDNFM-LBPRGKRZSA-N 2 2 331.382 3.012 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180941668 455267391 /nfs/dbraw/zinc/26/73/91/455267391.db2.gz OELWMGFDBITJGA-LJQANCHMSA-N 2 2 339.474 3.374 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180941668 455267396 /nfs/dbraw/zinc/26/73/96/455267396.db2.gz OELWMGFDBITJGA-LJQANCHMSA-N 2 2 339.474 3.374 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000241644301 455268902 /nfs/dbraw/zinc/26/89/02/455268902.db2.gz PPUWRRNMLJBLJU-HOJAQTOUSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000241644301 455268905 /nfs/dbraw/zinc/26/89/05/455268905.db2.gz PPUWRRNMLJBLJU-HOJAQTOUSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1 ZINC000173359170 455272928 /nfs/dbraw/zinc/27/29/28/455272928.db2.gz WXMTWAVYNHFJJT-GOSISDBHSA-N 2 2 340.467 3.248 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448031 455304133 /nfs/dbraw/zinc/30/41/33/455304133.db2.gz MNSHGMFECYPJQX-MSOLQXFVSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448031 455304137 /nfs/dbraw/zinc/30/41/37/455304137.db2.gz MNSHGMFECYPJQX-MSOLQXFVSA-N 2 2 343.515 3.384 20 0 EGADLP CCn1nccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693512 455358134 /nfs/dbraw/zinc/35/81/34/455358134.db2.gz BVTJWNUBEDAENI-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693512 455358135 /nfs/dbraw/zinc/35/81/35/455358135.db2.gz BVTJWNUBEDAENI-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693512 455358139 /nfs/dbraw/zinc/35/81/39/455358139.db2.gz BVTJWNUBEDAENI-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245693512 455358142 /nfs/dbraw/zinc/35/81/42/455358142.db2.gz BVTJWNUBEDAENI-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP COc1cccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000029631882 453830347 /nfs/dbraw/zinc/83/03/47/453830347.db2.gz GEXCXEOXQIOWMF-UHFFFAOYSA-N 2 2 340.471 3.239 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc2ccccc2c1)C[N@@H+]1CCc2ccccc2C1 ZINC000030903836 453841538 /nfs/dbraw/zinc/84/15/38/453841538.db2.gz HVCWPTLCRROGQO-QHCPKHFHSA-N 2 2 346.474 3.349 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc2ccccc2c1)C[N@H+]1CCc2ccccc2C1 ZINC000030903836 453841542 /nfs/dbraw/zinc/84/15/42/453841542.db2.gz HVCWPTLCRROGQO-QHCPKHFHSA-N 2 2 346.474 3.349 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517019 453880760 /nfs/dbraw/zinc/88/07/60/453880760.db2.gz PYEOVXKKUDJRQQ-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517019 453880763 /nfs/dbraw/zinc/88/07/63/453880763.db2.gz PYEOVXKKUDJRQQ-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517019 453880766 /nfs/dbraw/zinc/88/07/66/453880766.db2.gz PYEOVXKKUDJRQQ-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000081517019 453880768 /nfs/dbraw/zinc/88/07/68/453880768.db2.gz PYEOVXKKUDJRQQ-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000075675307 453916187 /nfs/dbraw/zinc/91/61/87/453916187.db2.gz HYVLBKBXLCXAGA-NRFANRHFSA-N 2 2 340.515 3.209 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000075675307 453916189 /nfs/dbraw/zinc/91/61/89/453916189.db2.gz HYVLBKBXLCXAGA-NRFANRHFSA-N 2 2 340.515 3.209 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)cc2)c[nH+]1 ZINC000083405711 453946959 /nfs/dbraw/zinc/94/69/59/453946959.db2.gz KALAZFRCIINZFS-FQEVSTJZSA-N 2 2 341.455 3.032 20 0 EGADLP CC[N@@H+](Cc1nnc(C2CC2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108478 453964540 /nfs/dbraw/zinc/96/45/40/453964540.db2.gz ZKXQQNCFDCJYCA-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP CC[N@H+](Cc1nnc(C2CC2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108478 453964541 /nfs/dbraw/zinc/96/45/41/453964541.db2.gz ZKXQQNCFDCJYCA-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP O=C(NCCCCC[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000041570729 453972835 /nfs/dbraw/zinc/97/28/35/453972835.db2.gz GDUMJNGKJNKUQL-UHFFFAOYSA-N 2 2 340.471 3.258 20 0 EGADLP Cc1ccc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+]2CCOCC2)cc1 ZINC000085658210 454036679 /nfs/dbraw/zinc/03/66/79/454036679.db2.gz VAXQKGYRJYBPOU-OAQYLSRUSA-N 2 2 348.450 3.424 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000069833338 454151290 /nfs/dbraw/zinc/15/12/90/454151290.db2.gz SALZDIWAFLDLCM-IAGOWNOFSA-N 2 2 328.456 3.487 20 0 EGADLP FC(F)Oc1cccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000089520278 454159166 /nfs/dbraw/zinc/15/91/66/454159166.db2.gz SOPFXSVIBYEBRV-UHFFFAOYSA-N 2 2 347.409 3.437 20 0 EGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000265981724 455419623 /nfs/dbraw/zinc/41/96/23/455419623.db2.gz BRJCWCHCILXMLG-CABCVRRESA-N 2 2 340.414 3.003 20 0 EGADLP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000265981724 455419626 /nfs/dbraw/zinc/41/96/26/455419626.db2.gz BRJCWCHCILXMLG-CABCVRRESA-N 2 2 340.414 3.003 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000089593666 454165033 /nfs/dbraw/zinc/16/50/33/454165033.db2.gz JWHWNCYGJNNTDE-CMKODMSKSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000089593666 454165035 /nfs/dbraw/zinc/16/50/35/454165035.db2.gz JWHWNCYGJNNTDE-CMKODMSKSA-N 2 2 343.515 3.030 20 0 EGADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000046105569 454219805 /nfs/dbraw/zinc/21/98/05/454219805.db2.gz TWCYJKIEWBDZME-UHFFFAOYSA-N 2 2 343.390 3.369 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000119905127 454234959 /nfs/dbraw/zinc/23/49/59/454234959.db2.gz AICYSDOFRMOMGL-KFWWJZLASA-N 2 2 342.430 3.438 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000095980632 454248519 /nfs/dbraw/zinc/24/85/19/454248519.db2.gz GPRHIELMKKSPHD-GXTWGEPZSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000095980632 454248524 /nfs/dbraw/zinc/24/85/24/454248524.db2.gz GPRHIELMKKSPHD-GXTWGEPZSA-N 2 2 339.277 3.043 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C12CCCC2 ZINC000089986150 454254147 /nfs/dbraw/zinc/25/41/47/454254147.db2.gz YSNZYLOPANQRJA-PMACEKPBSA-N 2 2 343.515 3.373 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050596 454267185 /nfs/dbraw/zinc/26/71/85/454267185.db2.gz XWUMSDZHKWBGKG-SFHVURJKSA-N 2 2 337.467 3.353 20 0 EGADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120211781 454272448 /nfs/dbraw/zinc/27/24/48/454272448.db2.gz DNKAMPHLSIPFIW-QGZVFWFLSA-N 2 2 335.411 3.022 20 0 EGADLP CC(C)c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC000090113607 454281925 /nfs/dbraw/zinc/28/19/25/454281925.db2.gz TUTDEKSVPUMTSF-MRXNPFEDSA-N 2 2 332.492 3.389 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C[C@@H]1OC ZINC000090461513 454309733 /nfs/dbraw/zinc/30/97/33/454309733.db2.gz LBJKTTYKCBAGPW-MOPGFXCFSA-N 2 2 331.504 3.229 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000090525093 454316051 /nfs/dbraw/zinc/31/60/51/454316051.db2.gz HDRNGVAEJLZWJB-ZNOIYHFQSA-N 2 2 338.442 3.383 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1COc2ccccc21 ZINC000090845598 454345466 /nfs/dbraw/zinc/34/54/66/454345466.db2.gz IPTOYJLWSJNJDZ-OXJNMPFZSA-N 2 2 337.467 3.200 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1OC ZINC000090847469 454345551 /nfs/dbraw/zinc/34/55/51/454345551.db2.gz PQCGVTYSVWRRBE-INIZCTEOSA-N 2 2 344.455 3.317 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860952 454353341 /nfs/dbraw/zinc/35/33/41/454353341.db2.gz PXXYHVBYJSBMPV-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860952 454353348 /nfs/dbraw/zinc/35/33/48/454353348.db2.gz PXXYHVBYJSBMPV-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860952 454353351 /nfs/dbraw/zinc/35/33/51/454353351.db2.gz PXXYHVBYJSBMPV-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)C1 ZINC000072860952 454353356 /nfs/dbraw/zinc/35/33/56/454353356.db2.gz PXXYHVBYJSBMPV-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868277 454354059 /nfs/dbraw/zinc/35/40/59/454354059.db2.gz SLRUHIOIGCYQDM-HBFSDRIKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868277 454354061 /nfs/dbraw/zinc/35/40/61/454354061.db2.gz SLRUHIOIGCYQDM-HBFSDRIKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868277 454354064 /nfs/dbraw/zinc/35/40/64/454354064.db2.gz SLRUHIOIGCYQDM-HBFSDRIKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868277 454354067 /nfs/dbraw/zinc/35/40/67/454354067.db2.gz SLRUHIOIGCYQDM-HBFSDRIKSA-N 2 2 345.531 3.134 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337051 454429277 /nfs/dbraw/zinc/42/92/77/454429277.db2.gz HJDKTGPPMSOHRE-SJORKVTESA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337051 454429279 /nfs/dbraw/zinc/42/92/79/454429279.db2.gz HJDKTGPPMSOHRE-SJORKVTESA-N 2 2 343.437 3.238 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000091666184 454454869 /nfs/dbraw/zinc/45/48/69/454454869.db2.gz PPVPCMYKHVARPJ-TUAOUCFPSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000091666184 454454870 /nfs/dbraw/zinc/45/48/70/454454870.db2.gz PPVPCMYKHVARPJ-TUAOUCFPSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1nc2c(s1)CCCC2 ZINC000091726544 454462120 /nfs/dbraw/zinc/46/21/20/454462120.db2.gz LXTVAORBSKRIMM-CABCVRRESA-N 2 2 349.544 3.173 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OC(F)F)c1 ZINC000091892629 454486313 /nfs/dbraw/zinc/48/63/13/454486313.db2.gz KFTXDQBALGDOPT-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OC(F)F)c1 ZINC000091892629 454486316 /nfs/dbraw/zinc/48/63/16/454486316.db2.gz KFTXDQBALGDOPT-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(OC(F)F)c1 ZINC000091892629 454486321 /nfs/dbraw/zinc/48/63/21/454486321.db2.gz KFTXDQBALGDOPT-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(OC(F)F)c1 ZINC000091892629 454486323 /nfs/dbraw/zinc/48/63/23/454486323.db2.gz KFTXDQBALGDOPT-CABCVRRESA-N 2 2 340.414 3.355 20 0 EGADLP COc1cc2c(c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c1)O[C@H](C)C2 ZINC000092648371 454599455 /nfs/dbraw/zinc/59/94/55/454599455.db2.gz AKRIZBAGVOZBAT-CQSZACIVSA-N 2 2 327.428 3.052 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)c1cnn(CC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000123090844 454600315 /nfs/dbraw/zinc/60/03/15/454600315.db2.gz CGZWBXLZIMTSHY-UZLBHIALSA-N 2 2 326.488 3.391 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)c1cnn(CC)c1)[N@H+]1CCc2ccccc2C1 ZINC000123090844 454600319 /nfs/dbraw/zinc/60/03/19/454600319.db2.gz CGZWBXLZIMTSHY-UZLBHIALSA-N 2 2 326.488 3.391 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000123393588 454631623 /nfs/dbraw/zinc/63/16/23/454631623.db2.gz VSWBTFILEMXYIB-MRXNPFEDSA-N 2 2 343.446 3.088 20 0 EGADLP c1csc(-c2noc(CCC[NH+]3CCC([NH+]4CCCC4)CC3)n2)c1 ZINC000051952409 454642814 /nfs/dbraw/zinc/64/28/14/454642814.db2.gz SDRVPBDBVUQNMY-UHFFFAOYSA-N 2 2 346.500 3.291 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959293 454658060 /nfs/dbraw/zinc/65/80/60/454658060.db2.gz ZXFZMCDWOSXQFY-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959293 454658064 /nfs/dbraw/zinc/65/80/64/454658064.db2.gz ZXFZMCDWOSXQFY-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000635003694 460646892 /nfs/dbraw/zinc/64/68/92/460646892.db2.gz AXZFEMSUUSAIDC-JCNLHEQBSA-N 3 2 335.923 3.412 20 0 EGADLP Cn1c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2cc(Cl)ccc21 ZINC000080988681 454666637 /nfs/dbraw/zinc/66/66/37/454666637.db2.gz ANICFQFGKHFCOD-LBPRGKRZSA-N 2 2 329.835 3.329 20 0 EGADLP Cn1c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2cc(Cl)ccc21 ZINC000080988681 454666639 /nfs/dbraw/zinc/66/66/39/454666639.db2.gz ANICFQFGKHFCOD-LBPRGKRZSA-N 2 2 329.835 3.329 20 0 EGADLP CC(C)c1nc(NCc2ccccc2C[NH+]2CCOCC2)cc[nH+]1 ZINC000106462909 454695483 /nfs/dbraw/zinc/69/54/83/454695483.db2.gz MGEJLRJOGRCGCY-UHFFFAOYSA-N 2 2 326.444 3.044 20 0 EGADLP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106546512 454700402 /nfs/dbraw/zinc/70/04/02/454700402.db2.gz JHZITWRDALJTEH-MRXNPFEDSA-N 2 2 335.496 3.158 20 0 EGADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000152652630 454705914 /nfs/dbraw/zinc/70/59/14/454705914.db2.gz JAVZPEGLAVXFGZ-UHFFFAOYSA-N 2 2 345.834 3.497 20 0 EGADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000152652630 454705919 /nfs/dbraw/zinc/70/59/19/454705919.db2.gz JAVZPEGLAVXFGZ-UHFFFAOYSA-N 2 2 345.834 3.497 20 0 EGADLP C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136082898 454719999 /nfs/dbraw/zinc/71/99/99/454719999.db2.gz OPPZPQDXVCLISV-QUCCMNQESA-N 2 2 327.472 3.415 20 0 EGADLP C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000136082898 454720001 /nfs/dbraw/zinc/72/00/01/454720001.db2.gz OPPZPQDXVCLISV-QUCCMNQESA-N 2 2 327.472 3.415 20 0 EGADLP C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161789746 454724518 /nfs/dbraw/zinc/72/45/18/454724518.db2.gz JEYVRQIFFRLJHF-OAHLLOKOSA-N 2 2 327.428 3.209 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000136299868 454734691 /nfs/dbraw/zinc/73/46/91/454734691.db2.gz ZINRVUBLHHQBII-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000136299868 454734692 /nfs/dbraw/zinc/73/46/92/454734692.db2.gz ZINRVUBLHHQBII-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009440 460652600 /nfs/dbraw/zinc/65/26/00/460652600.db2.gz GZIGEFSVTXNXPZ-RLLQIKCJSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009440 460652605 /nfs/dbraw/zinc/65/26/05/460652605.db2.gz GZIGEFSVTXNXPZ-RLLQIKCJSA-N 3 2 329.532 3.265 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124882556 454779369 /nfs/dbraw/zinc/77/93/69/454779369.db2.gz YRKFFEHDZOQCSD-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124882556 454779371 /nfs/dbraw/zinc/77/93/71/454779371.db2.gz YRKFFEHDZOQCSD-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[NH+](CCc4cccs4)CC3)cn2c1 ZINC000138450549 454793799 /nfs/dbraw/zinc/79/37/99/454793799.db2.gz YSGKQQOHAGQSTG-UHFFFAOYSA-N 2 2 340.496 3.065 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000177000341 454810291 /nfs/dbraw/zinc/81/02/91/454810291.db2.gz NTMDNMWDZBAACX-KRWDZBQOSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000177000341 454810296 /nfs/dbraw/zinc/81/02/96/454810296.db2.gz NTMDNMWDZBAACX-KRWDZBQOSA-N 2 2 347.528 3.378 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163293003 454836600 /nfs/dbraw/zinc/83/66/00/454836600.db2.gz NJYPDSJRSBCETJ-ZDUSSCGKSA-N 2 2 348.288 3.381 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163293003 454836601 /nfs/dbraw/zinc/83/66/01/454836601.db2.gz NJYPDSJRSBCETJ-ZDUSSCGKSA-N 2 2 348.288 3.381 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163438115 454847503 /nfs/dbraw/zinc/84/75/03/454847503.db2.gz NWZVRDKGWBTVMW-WBVHZDCISA-N 2 2 341.455 3.455 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)ccn2)cc1 ZINC000163438115 454847507 /nfs/dbraw/zinc/84/75/07/454847507.db2.gz NWZVRDKGWBTVMW-WBVHZDCISA-N 2 2 341.455 3.455 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000163795089 454864379 /nfs/dbraw/zinc/86/43/79/454864379.db2.gz DRNQLSALOYOFGZ-OAHLLOKOSA-N 2 2 340.427 3.191 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000163795000 454864962 /nfs/dbraw/zinc/86/49/62/454864962.db2.gz DRNQLSALOYOFGZ-HNNXBMFYSA-N 2 2 340.427 3.191 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150764917 454889105 /nfs/dbraw/zinc/88/91/05/454889105.db2.gz MVOMCCDVOSIFDD-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150764917 454889109 /nfs/dbraw/zinc/88/91/09/454889109.db2.gz MVOMCCDVOSIFDD-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000164863492 454890268 /nfs/dbraw/zinc/89/02/68/454890268.db2.gz RXRMSLFFFSIYPM-KRWDZBQOSA-N 2 2 336.549 3.274 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000164863492 454890272 /nfs/dbraw/zinc/89/02/72/454890272.db2.gz RXRMSLFFFSIYPM-KRWDZBQOSA-N 2 2 336.549 3.274 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000177707803 454894352 /nfs/dbraw/zinc/89/43/52/454894352.db2.gz IXSZJZDOYOLDFW-SFHVURJKSA-N 2 2 327.403 3.039 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150820048 454897344 /nfs/dbraw/zinc/89/73/44/454897344.db2.gz QUHNOZKUCYQNJZ-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000150820048 454897346 /nfs/dbraw/zinc/89/73/46/454897346.db2.gz QUHNOZKUCYQNJZ-QZTJIDSGSA-N 2 2 329.488 3.048 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360821 454898956 /nfs/dbraw/zinc/89/89/56/454898956.db2.gz IOIZYPXEJMNHHY-UZLBHIALSA-N 3 2 333.495 3.110 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360821 454898959 /nfs/dbraw/zinc/89/89/59/454898959.db2.gz IOIZYPXEJMNHHY-UZLBHIALSA-N 3 2 333.495 3.110 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn21 ZINC000178061836 454931455 /nfs/dbraw/zinc/93/14/55/454931455.db2.gz KMXCRMIFFXZFRL-JXFKEZNVSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn21 ZINC000178061836 454931458 /nfs/dbraw/zinc/93/14/58/454931458.db2.gz KMXCRMIFFXZFRL-JXFKEZNVSA-N 2 2 349.482 3.038 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000178330261 454948886 /nfs/dbraw/zinc/94/88/86/454948886.db2.gz FMGZIKBXCHMYEK-GXTWGEPZSA-N 2 2 330.394 3.111 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000178330261 454948891 /nfs/dbraw/zinc/94/88/91/454948891.db2.gz FMGZIKBXCHMYEK-GXTWGEPZSA-N 2 2 330.394 3.111 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccsc2S1 ZINC000151279184 454963054 /nfs/dbraw/zinc/96/30/54/454963054.db2.gz CIRQKLDPRDYENX-YDHLFZDLSA-N 2 2 326.531 3.110 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)n1-c1ccccc1 ZINC000151333332 454970726 /nfs/dbraw/zinc/97/07/26/454970726.db2.gz KUGVVHHHNJLHQH-QFBILLFUSA-N 2 2 343.496 3.325 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)nc1 ZINC000179107315 455009067 /nfs/dbraw/zinc/00/90/67/455009067.db2.gz QINBTGMNBXHKNR-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000155685408 455030561 /nfs/dbraw/zinc/03/05/61/455030561.db2.gz AFAKEUICHHYJBV-MRXNPFEDSA-N 2 2 326.488 3.391 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000155685408 455030565 /nfs/dbraw/zinc/03/05/65/455030565.db2.gz AFAKEUICHHYJBV-MRXNPFEDSA-N 2 2 326.488 3.391 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCCc2sccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000151795942 455031445 /nfs/dbraw/zinc/03/14/45/455031445.db2.gz RQDMMICDYKBDRN-PKOBYXMFSA-N 2 2 342.508 3.134 20 0 EGADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396781 455054759 /nfs/dbraw/zinc/05/47/59/455054759.db2.gz ROKSKSFBWYDNII-KDOFPFPSSA-N 2 2 347.503 3.172 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179833373 455086710 /nfs/dbraw/zinc/08/67/10/455086710.db2.gz YTRKBZGHJKZBOZ-UHFFFAOYSA-N 2 2 326.488 3.452 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000171977402 455105354 /nfs/dbraw/zinc/10/53/54/455105354.db2.gz ZTUONNUULBARDK-OAHLLOKOSA-N 2 2 328.460 3.461 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394398 455112744 /nfs/dbraw/zinc/11/27/44/455112744.db2.gz DAELTGJQRSKUFN-BBWFWOEESA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394398 455112747 /nfs/dbraw/zinc/11/27/47/455112747.db2.gz DAELTGJQRSKUFN-BBWFWOEESA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152394398 455112751 /nfs/dbraw/zinc/11/27/51/455112751.db2.gz DAELTGJQRSKUFN-BBWFWOEESA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152394398 455112753 /nfs/dbraw/zinc/11/27/53/455112753.db2.gz DAELTGJQRSKUFN-BBWFWOEESA-N 2 2 349.544 3.074 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180151981 455140436 /nfs/dbraw/zinc/14/04/36/455140436.db2.gz UZDKTCBKNDHYRK-VQIMIIECSA-N 2 2 330.447 3.347 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180151981 455140437 /nfs/dbraw/zinc/14/04/37/455140437.db2.gz UZDKTCBKNDHYRK-VQIMIIECSA-N 2 2 330.447 3.347 20 0 EGADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180151981 455140439 /nfs/dbraw/zinc/14/04/39/455140439.db2.gz UZDKTCBKNDHYRK-VQIMIIECSA-N 2 2 330.447 3.347 20 0 EGADLP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000180151981 455140440 /nfs/dbraw/zinc/14/04/40/455140440.db2.gz UZDKTCBKNDHYRK-VQIMIIECSA-N 2 2 330.447 3.347 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182808989 455169505 /nfs/dbraw/zinc/16/95/05/455169505.db2.gz VJWFNMPOASIHJK-RBUKOAKNSA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182808989 455169509 /nfs/dbraw/zinc/16/95/09/455169509.db2.gz VJWFNMPOASIHJK-RBUKOAKNSA-N 2 2 326.488 3.025 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157254469 455177498 /nfs/dbraw/zinc/17/74/98/455177498.db2.gz PJKYGJIIEGBSMC-IBGZPJMESA-N 2 2 337.552 3.077 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157254469 455177503 /nfs/dbraw/zinc/17/75/03/455177503.db2.gz PJKYGJIIEGBSMC-IBGZPJMESA-N 2 2 337.552 3.077 20 0 EGADLP C[C@@H]1CCC[C@@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237414350 455183081 /nfs/dbraw/zinc/18/30/81/455183081.db2.gz VFNWOVFHILRXCA-CTNGQTDRSA-N 2 2 329.532 3.363 20 0 EGADLP c1sc(C2CC2)nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182958940 455199220 /nfs/dbraw/zinc/19/92/20/455199220.db2.gz DOQUCZAYTSUORL-UHFFFAOYSA-N 2 2 349.544 3.345 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000157508176 455201975 /nfs/dbraw/zinc/20/19/75/455201975.db2.gz MLBANJFIHUZTAA-UHFFFAOYSA-N 2 2 343.515 3.229 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000157508176 455201978 /nfs/dbraw/zinc/20/19/78/455201978.db2.gz MLBANJFIHUZTAA-UHFFFAOYSA-N 2 2 343.515 3.229 20 0 EGADLP CC(C)CSCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000157524948 455204065 /nfs/dbraw/zinc/20/40/65/455204065.db2.gz OCTOHLUHBGRBES-UHFFFAOYSA-N 2 2 342.472 3.402 20 0 EGADLP O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237689302 455208031 /nfs/dbraw/zinc/20/80/31/455208031.db2.gz MQMYXIRZMCPJBE-CQSZACIVSA-N 2 2 345.830 3.399 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1nccn1C ZINC000183020196 455211005 /nfs/dbraw/zinc/21/10/05/455211005.db2.gz JXDRXHAVDOKQQA-INIZCTEOSA-N 2 2 338.455 3.496 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1nccn1C ZINC000183020196 455211009 /nfs/dbraw/zinc/21/10/09/455211009.db2.gz JXDRXHAVDOKQQA-INIZCTEOSA-N 2 2 338.455 3.496 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439152 455300538 /nfs/dbraw/zinc/30/05/38/455300538.db2.gz FRKFBBDIBNSMBH-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439152 455300540 /nfs/dbraw/zinc/30/05/40/455300540.db2.gz FRKFBBDIBNSMBH-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439152 455300543 /nfs/dbraw/zinc/30/05/43/455300543.db2.gz FRKFBBDIBNSMBH-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439152 455300548 /nfs/dbraw/zinc/30/05/48/455300548.db2.gz FRKFBBDIBNSMBH-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245592644 455335992 /nfs/dbraw/zinc/33/59/92/455335992.db2.gz LWXWTDGEZPWVPW-LPOXYFBYSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245592644 455335997 /nfs/dbraw/zinc/33/59/97/455335997.db2.gz LWXWTDGEZPWVPW-LPOXYFBYSA-N 2 2 326.843 3.239 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245589544 455336068 /nfs/dbraw/zinc/33/60/68/455336068.db2.gz KSBVOCIXEOJJSJ-JDFRZJQESA-N 2 2 328.859 3.487 20 0 EGADLP CCOC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245589544 455336072 /nfs/dbraw/zinc/33/60/72/455336072.db2.gz KSBVOCIXEOJJSJ-JDFRZJQESA-N 2 2 328.859 3.487 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158931563 455338393 /nfs/dbraw/zinc/33/83/93/455338393.db2.gz VJWDIERLHUGJEG-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158931563 455338398 /nfs/dbraw/zinc/33/83/98/455338398.db2.gz VJWDIERLHUGJEG-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158931563 455338404 /nfs/dbraw/zinc/33/84/04/455338404.db2.gz VJWDIERLHUGJEG-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000158931563 455338409 /nfs/dbraw/zinc/33/84/09/455338409.db2.gz VJWDIERLHUGJEG-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245606421 455339587 /nfs/dbraw/zinc/33/95/87/455339587.db2.gz NHRYMRIKZVLFFW-GJYPPUQNSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245606421 455339593 /nfs/dbraw/zinc/33/95/93/455339593.db2.gz NHRYMRIKZVLFFW-GJYPPUQNSA-N 2 2 340.471 3.356 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911980 455340608 /nfs/dbraw/zinc/34/06/08/455340608.db2.gz NUVNGWOATPAJEN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911980 455340612 /nfs/dbraw/zinc/34/06/12/455340612.db2.gz NUVNGWOATPAJEN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911980 455340614 /nfs/dbraw/zinc/34/06/14/455340614.db2.gz NUVNGWOATPAJEN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000173911980 455340617 /nfs/dbraw/zinc/34/06/17/455340617.db2.gz NUVNGWOATPAJEN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](O)Cc1ccccc1 ZINC000181552137 455353991 /nfs/dbraw/zinc/35/39/91/455353991.db2.gz GLWISBGDMKYHLL-JZZBYWGLSA-N 2 2 338.495 3.089 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](O)Cc1ccccc1 ZINC000181552137 455353997 /nfs/dbraw/zinc/35/39/97/455353997.db2.gz GLWISBGDMKYHLL-JZZBYWGLSA-N 2 2 338.495 3.089 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000190690071 455367412 /nfs/dbraw/zinc/36/74/12/455367412.db2.gz VLDHDMBZMKPZGC-GOSISDBHSA-N 2 2 327.428 3.178 20 0 EGADLP CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000190690071 455367414 /nfs/dbraw/zinc/36/74/14/455367414.db2.gz VLDHDMBZMKPZGC-GOSISDBHSA-N 2 2 327.428 3.178 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000181977034 455408600 /nfs/dbraw/zinc/40/86/00/455408600.db2.gz HUJGNBVRPITSPP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000181977034 455408605 /nfs/dbraw/zinc/40/86/05/455408605.db2.gz HUJGNBVRPITSPP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000181977034 455408607 /nfs/dbraw/zinc/40/86/07/455408607.db2.gz HUJGNBVRPITSPP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000181977034 455408612 /nfs/dbraw/zinc/40/86/12/455408612.db2.gz HUJGNBVRPITSPP-YOEHRIQHSA-N 2 2 336.863 3.043 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000246003358 455412515 /nfs/dbraw/zinc/41/25/15/455412515.db2.gz YORVKLREIIUYFO-RHSMWYFYSA-N 2 2 333.863 3.062 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000246003358 455412518 /nfs/dbraw/zinc/41/25/18/455412518.db2.gz YORVKLREIIUYFO-RHSMWYFYSA-N 2 2 333.863 3.062 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000190996059 455421378 /nfs/dbraw/zinc/42/13/78/455421378.db2.gz VXYOHVLNRIPNJX-ZDUSSCGKSA-N 2 2 330.394 3.072 20 0 EGADLP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246294168 455466210 /nfs/dbraw/zinc/46/62/10/455466210.db2.gz DLIPGPWVXFISJZ-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246294168 455466213 /nfs/dbraw/zinc/46/62/13/455466213.db2.gz DLIPGPWVXFISJZ-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000246294168 455466216 /nfs/dbraw/zinc/46/62/16/455466216.db2.gz DLIPGPWVXFISJZ-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000246294168 455466219 /nfs/dbraw/zinc/46/62/19/455466219.db2.gz DLIPGPWVXFISJZ-CVEARBPZSA-N 2 2 334.460 3.153 20 0 EGADLP CCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246311140 455469091 /nfs/dbraw/zinc/46/90/91/455469091.db2.gz ZJKHJKBWPRWJSD-OALUTQOASA-N 2 2 330.520 3.104 20 0 EGADLP CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246311140 455469095 /nfs/dbraw/zinc/46/90/95/455469095.db2.gz ZJKHJKBWPRWJSD-OALUTQOASA-N 2 2 330.520 3.104 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247039177 455548922 /nfs/dbraw/zinc/54/89/22/455548922.db2.gz YTUPJDOUANBUOP-YOEHRIQHSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247039177 455548924 /nfs/dbraw/zinc/54/89/24/455548924.db2.gz YTUPJDOUANBUOP-YOEHRIQHSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247039177 455548925 /nfs/dbraw/zinc/54/89/25/455548925.db2.gz YTUPJDOUANBUOP-YOEHRIQHSA-N 2 2 346.471 3.077 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247204523 455573176 /nfs/dbraw/zinc/57/31/76/455573176.db2.gz WLXSHGLZCRFYOW-JWHDQAAXSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247204523 455573182 /nfs/dbraw/zinc/57/31/82/455573182.db2.gz WLXSHGLZCRFYOW-JWHDQAAXSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247240145 455577373 /nfs/dbraw/zinc/57/73/73/455577373.db2.gz ZCLASYKESROLHN-AZUAARDMSA-N 2 2 347.547 3.332 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247240145 455577378 /nfs/dbraw/zinc/57/73/78/455577378.db2.gz ZCLASYKESROLHN-AZUAARDMSA-N 2 2 347.547 3.332 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355717 455596452 /nfs/dbraw/zinc/59/64/52/455596452.db2.gz GHNRNSOZPQWFDH-GOSISDBHSA-N 2 2 330.497 3.437 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000192355717 455596456 /nfs/dbraw/zinc/59/64/56/455596456.db2.gz GHNRNSOZPQWFDH-GOSISDBHSA-N 2 2 330.497 3.437 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755933 455615043 /nfs/dbraw/zinc/61/50/43/455615043.db2.gz TWDQVORGSCYPOO-UONOGXRCSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755933 455615045 /nfs/dbraw/zinc/61/50/45/455615045.db2.gz TWDQVORGSCYPOO-UONOGXRCSA-N 2 2 330.432 3.072 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529989 455619090 /nfs/dbraw/zinc/61/90/90/455619090.db2.gz ODNXSJABTCHIPF-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247529989 455619094 /nfs/dbraw/zinc/61/90/94/455619094.db2.gz ODNXSJABTCHIPF-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247529989 455619101 /nfs/dbraw/zinc/61/91/01/455619101.db2.gz ODNXSJABTCHIPF-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247529989 455619105 /nfs/dbraw/zinc/61/91/05/455619105.db2.gz ODNXSJABTCHIPF-NVXWUHKLSA-N 2 2 335.467 3.267 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247543390 455622527 /nfs/dbraw/zinc/62/25/27/455622527.db2.gz PIKWJPMUZNMXOD-DLBZAZTESA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247543390 455622534 /nfs/dbraw/zinc/62/25/34/455622534.db2.gz PIKWJPMUZNMXOD-DLBZAZTESA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247543390 455622540 /nfs/dbraw/zinc/62/25/40/455622540.db2.gz PIKWJPMUZNMXOD-DLBZAZTESA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247543390 455622548 /nfs/dbraw/zinc/62/25/48/455622548.db2.gz PIKWJPMUZNMXOD-DLBZAZTESA-N 2 2 347.503 3.219 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247567923 455626270 /nfs/dbraw/zinc/62/62/70/455626270.db2.gz RLLFWESXGFSZDI-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247567923 455626275 /nfs/dbraw/zinc/62/62/75/455626275.db2.gz RLLFWESXGFSZDI-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247567923 455626278 /nfs/dbraw/zinc/62/62/78/455626278.db2.gz RLLFWESXGFSZDI-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247567923 455626281 /nfs/dbraw/zinc/62/62/81/455626281.db2.gz RLLFWESXGFSZDI-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000284250692 455658394 /nfs/dbraw/zinc/65/83/94/455658394.db2.gz VOHOBYKWINYDBJ-FXAWDEMLSA-N 2 2 342.487 3.012 20 0 EGADLP Cc1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000284250692 455658396 /nfs/dbraw/zinc/65/83/96/455658396.db2.gz VOHOBYKWINYDBJ-FXAWDEMLSA-N 2 2 342.487 3.012 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247970719 455662664 /nfs/dbraw/zinc/66/26/64/455662664.db2.gz JEJHNGQRVKKQBW-PBHICJAKSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247970719 455662668 /nfs/dbraw/zinc/66/26/68/455662668.db2.gz JEJHNGQRVKKQBW-PBHICJAKSA-N 2 2 342.430 3.295 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789959 455666856 /nfs/dbraw/zinc/66/68/56/455666856.db2.gz WCPMPBFCLZMPNE-RYGJVYDSSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789959 455666862 /nfs/dbraw/zinc/66/68/62/455666862.db2.gz WCPMPBFCLZMPNE-RYGJVYDSSA-N 2 2 328.431 3.112 20 0 EGADLP COCc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248023573 455671657 /nfs/dbraw/zinc/67/16/57/455671657.db2.gz OHEMTYYIHBWFND-LAUBAEHRSA-N 2 2 339.483 3.228 20 0 EGADLP COCc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248023573 455671663 /nfs/dbraw/zinc/67/16/63/455671663.db2.gz OHEMTYYIHBWFND-LAUBAEHRSA-N 2 2 339.483 3.228 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030244 455672369 /nfs/dbraw/zinc/67/23/69/455672369.db2.gz QETFMXRNAIOQTH-KDOFPFPSSA-N 2 2 330.476 3.105 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000248030244 455672370 /nfs/dbraw/zinc/67/23/70/455672370.db2.gz QETFMXRNAIOQTH-KDOFPFPSSA-N 2 2 330.476 3.105 20 0 EGADLP CSC[C@@H]1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562342 455697660 /nfs/dbraw/zinc/69/76/60/455697660.db2.gz ZKPQUKXKQIFVHB-SJORKVTESA-N 2 2 347.528 3.089 20 0 EGADLP CSC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000292562342 455697661 /nfs/dbraw/zinc/69/76/61/455697661.db2.gz ZKPQUKXKQIFVHB-SJORKVTESA-N 2 2 347.528 3.089 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941412 455737786 /nfs/dbraw/zinc/73/77/86/455737786.db2.gz SVHBCOUPTCJTNL-JKSUJKDBSA-N 2 2 328.456 3.220 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941412 455737789 /nfs/dbraw/zinc/73/77/89/455737789.db2.gz SVHBCOUPTCJTNL-JKSUJKDBSA-N 2 2 328.456 3.220 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941408 455737906 /nfs/dbraw/zinc/73/79/06/455737906.db2.gz SVHBCOUPTCJTNL-HZPDHXFCSA-N 2 2 328.456 3.220 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941408 455737913 /nfs/dbraw/zinc/73/79/13/455737913.db2.gz SVHBCOUPTCJTNL-HZPDHXFCSA-N 2 2 328.456 3.220 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268942347 455738185 /nfs/dbraw/zinc/73/81/85/455738185.db2.gz SXOHEXJOWFTDIQ-QSAZIKIQSA-N 2 2 336.545 3.176 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268942347 455738192 /nfs/dbraw/zinc/73/81/92/455738192.db2.gz SXOHEXJOWFTDIQ-QSAZIKIQSA-N 2 2 336.545 3.176 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000284839875 455749707 /nfs/dbraw/zinc/74/97/07/455749707.db2.gz BYTIUYZIWIYJMJ-RTBURBONSA-N 2 2 344.499 3.218 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000284839875 455749713 /nfs/dbraw/zinc/74/97/13/455749713.db2.gz BYTIUYZIWIYJMJ-RTBURBONSA-N 2 2 344.499 3.218 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000268993599 455756337 /nfs/dbraw/zinc/75/63/37/455756337.db2.gz NAOYRNMXZAWKSD-KSEOMHKRSA-N 2 2 336.479 3.147 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000268993599 455756343 /nfs/dbraw/zinc/75/63/43/455756343.db2.gz NAOYRNMXZAWKSD-KSEOMHKRSA-N 2 2 336.479 3.147 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000186457505 455772172 /nfs/dbraw/zinc/77/21/72/455772172.db2.gz MDVLXDNIKWYJRO-DNVCBOLYSA-N 2 2 326.440 3.254 20 0 EGADLP CS[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000269045634 455774568 /nfs/dbraw/zinc/77/45/68/455774568.db2.gz WMIIFWZDWOMJIS-DYVFJYSZSA-N 2 2 342.936 3.006 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052709 455775465 /nfs/dbraw/zinc/77/54/65/455775465.db2.gz ZWMYHJASHLNBDI-YWZLYKJASA-N 2 2 347.934 3.377 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269052709 455775468 /nfs/dbraw/zinc/77/54/68/455775468.db2.gz ZWMYHJASHLNBDI-YWZLYKJASA-N 2 2 347.934 3.377 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000251920394 455798706 /nfs/dbraw/zinc/79/87/06/455798706.db2.gz SIWASSIVXOSLAV-QXAKKESOSA-N 2 2 334.891 3.462 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000269196466 455808885 /nfs/dbraw/zinc/80/88/85/455808885.db2.gz VNTLRWYFWWLUTA-UHFFFAOYSA-N 2 2 335.835 3.220 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000269196466 455808896 /nfs/dbraw/zinc/80/88/96/455808896.db2.gz VNTLRWYFWWLUTA-UHFFFAOYSA-N 2 2 335.835 3.220 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)CC1 ZINC000186643526 455811918 /nfs/dbraw/zinc/81/19/18/455811918.db2.gz BCDWZMPTAIMUNY-IBGZPJMESA-N 2 2 330.451 3.111 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000269331022 455836559 /nfs/dbraw/zinc/83/65/59/455836559.db2.gz MKKDTDATQSIOJL-UHFFFAOYSA-N 3 2 338.499 3.230 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165517 455864387 /nfs/dbraw/zinc/86/43/87/455864387.db2.gz GPIOWOCRTAHRKZ-PKOBYXMFSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272165517 455864388 /nfs/dbraw/zinc/86/43/88/455864388.db2.gz GPIOWOCRTAHRKZ-PKOBYXMFSA-N 2 2 334.467 3.335 20 0 EGADLP COc1cccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000272182632 455869274 /nfs/dbraw/zinc/86/92/74/455869274.db2.gz GBSZZWHAJJZWON-CRAIPNDOSA-N 2 2 340.471 3.404 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccsc1 ZINC000285575645 455874018 /nfs/dbraw/zinc/87/40/18/455874018.db2.gz GWMXVCBXAXMZLD-FBVQUNGASA-N 2 2 349.544 3.263 20 0 EGADLP Cc1ccncc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272197135 455873904 /nfs/dbraw/zinc/87/39/04/455873904.db2.gz IJRKZSFVGHWUKU-DOTOQJQBSA-N 2 2 325.460 3.098 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccsc1 ZINC000285575645 455874025 /nfs/dbraw/zinc/87/40/25/455874025.db2.gz GWMXVCBXAXMZLD-FBVQUNGASA-N 2 2 349.544 3.263 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000270134036 455885336 /nfs/dbraw/zinc/88/53/36/455885336.db2.gz PWBQTAMWRZICPG-SFHVURJKSA-N 2 2 338.455 3.433 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000270134036 455885342 /nfs/dbraw/zinc/88/53/42/455885342.db2.gz PWBQTAMWRZICPG-SFHVURJKSA-N 2 2 338.455 3.433 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)COCC(C)C)CC1 ZINC000280141484 455901387 /nfs/dbraw/zinc/90/13/87/455901387.db2.gz CBOVLDYIPNGNTR-GOSISDBHSA-N 2 2 345.487 3.015 20 0 EGADLP C[N@H+](CCCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)Cc1ccccc1 ZINC000194967674 455907485 /nfs/dbraw/zinc/90/74/85/455907485.db2.gz SBORMOIDKPLHIU-IBGZPJMESA-N 2 2 335.455 3.006 20 0 EGADLP C[N@@H+](CCCN[C@H](c1[nH]cc[nH+]1)c1cccnc1)Cc1ccccc1 ZINC000194967674 455907487 /nfs/dbraw/zinc/90/74/87/455907487.db2.gz SBORMOIDKPLHIU-IBGZPJMESA-N 2 2 335.455 3.006 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261566549 455908535 /nfs/dbraw/zinc/90/85/35/455908535.db2.gz IGZDINTZDMPBLC-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261566549 455908544 /nfs/dbraw/zinc/90/85/44/455908544.db2.gz IGZDINTZDMPBLC-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000194996604 455910561 /nfs/dbraw/zinc/91/05/61/455910561.db2.gz SBCZHMJJRVEGPN-NUJGCVRESA-N 2 2 341.503 3.240 20 0 EGADLP C[NH+](CCC[N@@H+](C)C[C@H](O)c1c(F)cccc1F)Cc1ccco1 ZINC000285832253 455925106 /nfs/dbraw/zinc/92/51/06/455925106.db2.gz WXJJRYRKVPMGSB-KRWDZBQOSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)C[C@H](O)c1c(F)cccc1F)Cc1ccco1 ZINC000285832253 455925109 /nfs/dbraw/zinc/92/51/09/455925109.db2.gz WXJJRYRKVPMGSB-KRWDZBQOSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)c1c(F)cccc1F ZINC000285832253 455925116 /nfs/dbraw/zinc/92/51/16/455925116.db2.gz WXJJRYRKVPMGSB-KRWDZBQOSA-N 2 2 338.398 3.045 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337340 455932363 /nfs/dbraw/zinc/93/23/63/455932363.db2.gz PFYWYWRTEMRBOQ-DYVFJYSZSA-N 2 2 343.298 3.445 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337340 455932369 /nfs/dbraw/zinc/93/23/69/455932369.db2.gz PFYWYWRTEMRBOQ-DYVFJYSZSA-N 2 2 343.298 3.445 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000261784065 455947452 /nfs/dbraw/zinc/94/74/52/455947452.db2.gz FRWQCGIEABUDIJ-MRVPVSSYSA-N 2 2 341.171 3.127 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000261784065 455947454 /nfs/dbraw/zinc/94/74/54/455947454.db2.gz FRWQCGIEABUDIJ-MRVPVSSYSA-N 2 2 341.171 3.127 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000261784068 455947557 /nfs/dbraw/zinc/94/75/57/455947557.db2.gz FRWQCGIEABUDIJ-QMMMGPOBSA-N 2 2 341.171 3.127 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000261784068 455947563 /nfs/dbraw/zinc/94/75/63/455947563.db2.gz FRWQCGIEABUDIJ-QMMMGPOBSA-N 2 2 341.171 3.127 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755502 455948890 /nfs/dbraw/zinc/94/88/90/455948890.db2.gz REUPFFVYYIXRFY-SFTDATJTSA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000187755502 455948897 /nfs/dbraw/zinc/94/88/97/455948897.db2.gz REUPFFVYYIXRFY-SFTDATJTSA-N 2 2 342.458 3.286 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338135 455950696 /nfs/dbraw/zinc/95/06/96/455950696.db2.gz SCLSQUHOKBBUDA-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338135 455950700 /nfs/dbraw/zinc/95/07/00/455950700.db2.gz SCLSQUHOKBBUDA-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338135 455950703 /nfs/dbraw/zinc/95/07/03/455950703.db2.gz SCLSQUHOKBBUDA-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280338135 455950708 /nfs/dbraw/zinc/95/07/08/455950708.db2.gz SCLSQUHOKBBUDA-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272519401 455979778 /nfs/dbraw/zinc/97/97/78/455979778.db2.gz PSYDDAHGQSICDP-PBHICJAKSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272519401 455979784 /nfs/dbraw/zinc/97/97/84/455979784.db2.gz PSYDDAHGQSICDP-PBHICJAKSA-N 2 2 346.906 3.382 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652276 455991787 /nfs/dbraw/zinc/99/17/87/455991787.db2.gz YOAZGFNQPMKPSG-FGZHOGPDSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652276 455991793 /nfs/dbraw/zinc/99/17/93/455991793.db2.gz YOAZGFNQPMKPSG-FGZHOGPDSA-N 2 2 338.495 3.455 20 0 EGADLP [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000286175748 455994168 /nfs/dbraw/zinc/99/41/68/455994168.db2.gz REVCDMDERVAPJW-INIZCTEOSA-N 2 2 325.412 3.217 20 0 EGADLP Fc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ncc[nH]2)cc1 ZINC000188118155 456001438 /nfs/dbraw/zinc/00/14/38/456001438.db2.gz OJJSEBCEBXUQRV-QGZVFWFLSA-N 2 2 325.391 3.125 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000262151475 456004667 /nfs/dbraw/zinc/00/46/67/456004667.db2.gz RRACZNPQRNVVQT-IBGZPJMESA-N 2 2 326.444 3.342 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744596 456026474 /nfs/dbraw/zinc/02/64/74/456026474.db2.gz JZLILWIQOSLUAP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000296744596 456026477 /nfs/dbraw/zinc/02/64/77/456026477.db2.gz JZLILWIQOSLUAP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000296744596 456026479 /nfs/dbraw/zinc/02/64/79/456026479.db2.gz JZLILWIQOSLUAP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000296744596 456026481 /nfs/dbraw/zinc/02/64/81/456026481.db2.gz JZLILWIQOSLUAP-PBHICJAKSA-N 2 2 336.863 3.043 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286334375 456026966 /nfs/dbraw/zinc/02/69/66/456026966.db2.gz YAVIIMPUFRTNRD-GLJUWKHASA-N 2 2 332.488 3.016 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286334375 456026973 /nfs/dbraw/zinc/02/69/73/456026973.db2.gz YAVIIMPUFRTNRD-GLJUWKHASA-N 2 2 332.488 3.016 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286334384 456027123 /nfs/dbraw/zinc/02/71/23/456027123.db2.gz YAVIIMPUFRTNRD-SUNYJGFJSA-N 2 2 332.488 3.016 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1OC ZINC000286334384 456027127 /nfs/dbraw/zinc/02/71/27/456027127.db2.gz YAVIIMPUFRTNRD-SUNYJGFJSA-N 2 2 332.488 3.016 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695365 456042285 /nfs/dbraw/zinc/04/22/85/456042285.db2.gz XRXVFIWTOOUBFX-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695365 456042289 /nfs/dbraw/zinc/04/22/89/456042289.db2.gz XRXVFIWTOOUBFX-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695365 456042294 /nfs/dbraw/zinc/04/22/94/456042294.db2.gz XRXVFIWTOOUBFX-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCc3cccnc3)[C@H]2C1 ZINC000272695365 456042301 /nfs/dbraw/zinc/04/23/01/456042301.db2.gz XRXVFIWTOOUBFX-ICSRJNTNSA-N 2 2 337.467 3.187 20 0 EGADLP [NH3+]C1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCCCC1 ZINC000262655200 456050866 /nfs/dbraw/zinc/05/08/66/456050866.db2.gz TXHZFHSLPXQBJO-UHFFFAOYSA-N 2 2 326.444 3.363 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309944 456135980 /nfs/dbraw/zinc/13/59/80/456135980.db2.gz MRWRXZPOENFLCY-VHSXEESVSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309944 456135982 /nfs/dbraw/zinc/13/59/82/456135982.db2.gz MRWRXZPOENFLCY-VHSXEESVSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163802 456137752 /nfs/dbraw/zinc/13/77/52/456137752.db2.gz DAAYWDGCGBQVKZ-UWJYYQICSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163802 456137756 /nfs/dbraw/zinc/13/77/56/456137756.db2.gz DAAYWDGCGBQVKZ-UWJYYQICSA-N 2 2 339.483 3.246 20 0 EGADLP COCCC1(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)CCCCC1 ZINC000189068692 456217636 /nfs/dbraw/zinc/21/76/36/456217636.db2.gz ODGDXCPIHWUKBG-UHFFFAOYSA-N 2 2 346.519 3.232 20 0 EGADLP Clc1cnn([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000290030322 456220633 /nfs/dbraw/zinc/22/06/33/456220633.db2.gz VVBSUMLBCZLUIU-QGZVFWFLSA-N 2 2 327.819 3.169 20 0 EGADLP Clc1cnn([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000290030322 456220636 /nfs/dbraw/zinc/22/06/36/456220636.db2.gz VVBSUMLBCZLUIU-QGZVFWFLSA-N 2 2 327.819 3.169 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416509 456228854 /nfs/dbraw/zinc/22/88/54/456228854.db2.gz YRXBIQDYIUFZFA-BVBHFADKSA-N 2 2 340.471 3.029 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416509 456228858 /nfs/dbraw/zinc/22/88/58/456228858.db2.gz YRXBIQDYIUFZFA-BVBHFADKSA-N 2 2 340.471 3.029 20 0 EGADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000237187605 456244363 /nfs/dbraw/zinc/24/43/63/456244363.db2.gz COPLSVUBVQAWOE-UHFFFAOYSA-N 2 2 336.476 3.065 20 0 EGADLP CN(Cc1[nH+]ccn1C)c1cc[nH+]c2ccc(Br)cc21 ZINC000301924189 456252469 /nfs/dbraw/zinc/25/24/69/456252469.db2.gz LYYKARKZVALARE-UHFFFAOYSA-N 2 2 331.217 3.367 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)s1 ZINC000352764398 456284643 /nfs/dbraw/zinc/28/46/43/456284643.db2.gz DTKAXNDQADUDHE-AWEZNQCLSA-N 2 2 337.876 3.472 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)s1 ZINC000347661573 456287941 /nfs/dbraw/zinc/28/79/41/456287941.db2.gz LQPLTHZNQSVIQB-UHFFFAOYSA-N 2 2 348.491 3.420 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340172599 456288060 /nfs/dbraw/zinc/28/80/60/456288060.db2.gz SUWQABVYDKEHKJ-GHTZIAJQSA-N 2 2 340.515 3.222 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340172599 456288066 /nfs/dbraw/zinc/28/80/66/456288066.db2.gz SUWQABVYDKEHKJ-GHTZIAJQSA-N 2 2 340.515 3.222 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000352782479 456301532 /nfs/dbraw/zinc/30/15/32/456301532.db2.gz VIARYJPCUCJIFL-LLVKDONJSA-N 2 2 335.311 3.048 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000352782479 456301536 /nfs/dbraw/zinc/30/15/36/456301536.db2.gz VIARYJPCUCJIFL-LLVKDONJSA-N 2 2 335.311 3.048 20 0 EGADLP Cc1nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000302156942 456301759 /nfs/dbraw/zinc/30/17/59/456301759.db2.gz NCYZKUAHIDCFQY-UHFFFAOYSA-N 2 2 347.466 3.404 20 0 EGADLP COC(=O)CC1(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000281740196 456306775 /nfs/dbraw/zinc/30/67/75/456306775.db2.gz WWTHGJDMJNPSBW-INIZCTEOSA-N 2 2 341.455 3.152 20 0 EGADLP COC(=O)CC1(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000281740196 456306779 /nfs/dbraw/zinc/30/67/79/456306779.db2.gz WWTHGJDMJNPSBW-INIZCTEOSA-N 2 2 341.455 3.152 20 0 EGADLP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352787516 456307690 /nfs/dbraw/zinc/30/76/90/456307690.db2.gz FWLCCFIVYHEBDK-LJQANCHMSA-N 2 2 348.450 3.333 20 0 EGADLP CCCOc1cccc2c(N3CC[NH+](CCOCC)CC3)cc[nH+]c12 ZINC000352790351 456311789 /nfs/dbraw/zinc/31/17/89/456311789.db2.gz SWCSHQLROAXGKA-UHFFFAOYSA-N 2 2 343.471 3.182 20 0 EGADLP CC[C@H](Nc1cccc(C)[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302250375 456329699 /nfs/dbraw/zinc/32/96/99/456329699.db2.gz WJFYJHZPOXUKBJ-RBUKOAKNSA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@H](Nc1cccc(C)[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302250375 456329707 /nfs/dbraw/zinc/32/97/07/456329707.db2.gz WJFYJHZPOXUKBJ-RBUKOAKNSA-N 2 2 325.456 3.482 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000298050754 456352725 /nfs/dbraw/zinc/35/27/25/456352725.db2.gz IRVSVRCLONKNRJ-HNNXBMFYSA-N 2 2 332.517 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000298050754 456352726 /nfs/dbraw/zinc/35/27/26/456352726.db2.gz IRVSVRCLONKNRJ-HNNXBMFYSA-N 2 2 332.517 3.498 20 0 EGADLP CC[N@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000347784965 456366657 /nfs/dbraw/zinc/36/66/57/456366657.db2.gz MPDNZEFPBPFNOD-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP CC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000347784965 456366664 /nfs/dbraw/zinc/36/66/64/456366664.db2.gz MPDNZEFPBPFNOD-HXUWFJFHSA-N 2 2 337.467 3.450 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2c(F)cccc2N2CCCC2)s1 ZINC000352917782 456411922 /nfs/dbraw/zinc/41/19/22/456411922.db2.gz YWIJSYBPYVCBGV-UHFFFAOYSA-N 2 2 348.491 3.234 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000340381395 456426753 /nfs/dbraw/zinc/42/67/53/456426753.db2.gz XELFLIFWHYYMJH-TZIWHRDSSA-N 2 2 349.478 3.348 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000340381395 456426758 /nfs/dbraw/zinc/42/67/58/456426758.db2.gz XELFLIFWHYYMJH-TZIWHRDSSA-N 2 2 349.478 3.348 20 0 EGADLP CCOC(CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)OCC ZINC000276261845 456427031 /nfs/dbraw/zinc/42/70/31/456427031.db2.gz WSIGDIAHWVVYDP-MJGOQNOKSA-N 2 2 334.504 3.276 20 0 EGADLP CCOC(CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)OCC ZINC000276261845 456427034 /nfs/dbraw/zinc/42/70/34/456427034.db2.gz WSIGDIAHWVVYDP-MJGOQNOKSA-N 2 2 334.504 3.276 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1nccc2ccccc21 ZINC000290803252 456432903 /nfs/dbraw/zinc/43/29/03/456432903.db2.gz VQJAEAUWEZGYGZ-SJORKVTESA-N 2 2 327.472 3.386 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1nccc2ccccc21 ZINC000290803252 456432906 /nfs/dbraw/zinc/43/29/06/456432906.db2.gz VQJAEAUWEZGYGZ-SJORKVTESA-N 2 2 327.472 3.386 20 0 EGADLP CSC1(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000348035250 456440975 /nfs/dbraw/zinc/44/09/75/456440975.db2.gz DGZLRULACMJOLN-INIZCTEOSA-N 2 2 334.529 3.372 20 0 EGADLP CC(=O)Nc1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000343159067 456442246 /nfs/dbraw/zinc/44/22/46/456442246.db2.gz NYYQNTPQHJOWHO-UHFFFAOYSA-N 2 2 334.423 3.180 20 0 EGADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000353050786 456462223 /nfs/dbraw/zinc/46/22/23/456462223.db2.gz WMDTXEVYOGWVPG-KGEPEWOVSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000353050786 456462228 /nfs/dbraw/zinc/46/22/28/456462228.db2.gz WMDTXEVYOGWVPG-KGEPEWOVSA-N 2 2 349.563 3.265 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)O[C@@H](C)C2 ZINC000337672182 456473386 /nfs/dbraw/zinc/47/33/86/456473386.db2.gz YEUNPHQEGSDRNY-QGTPRVQTSA-N 2 2 330.472 3.125 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)O[C@@H](C)C2 ZINC000337672182 456473391 /nfs/dbraw/zinc/47/33/91/456473391.db2.gz YEUNPHQEGSDRNY-QGTPRVQTSA-N 2 2 330.472 3.125 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000298579295 456495431 /nfs/dbraw/zinc/49/54/31/456495431.db2.gz QYIRCQKKAIAISO-GOSISDBHSA-N 2 2 340.471 3.111 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000298579295 456495436 /nfs/dbraw/zinc/49/54/36/456495436.db2.gz QYIRCQKKAIAISO-GOSISDBHSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518327 456505749 /nfs/dbraw/zinc/50/57/49/456505749.db2.gz IDFQATMZQRGQTO-SXLOBPIMSA-N 2 2 326.488 3.160 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518327 456505753 /nfs/dbraw/zinc/50/57/53/456505753.db2.gz IDFQATMZQRGQTO-SXLOBPIMSA-N 2 2 326.488 3.160 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC4(CCC4)C3)c2cc1C ZINC000348193100 456527888 /nfs/dbraw/zinc/52/78/88/456527888.db2.gz KLPHELUEHDKPDF-QGZVFWFLSA-N 2 2 327.472 3.280 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC4(CCC4)C3)c2cc1C ZINC000348193100 456527891 /nfs/dbraw/zinc/52/78/91/456527891.db2.gz KLPHELUEHDKPDF-QGZVFWFLSA-N 2 2 327.472 3.280 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000291149919 456546491 /nfs/dbraw/zinc/54/64/91/456546491.db2.gz HBQQZWUEIPVSSQ-UHFFFAOYSA-N 2 2 344.499 3.114 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000291179177 456555708 /nfs/dbraw/zinc/55/57/08/456555708.db2.gz OBFOAZWOKJNYQX-INIZCTEOSA-N 2 2 330.394 3.201 20 0 EGADLP CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)n1 ZINC000276773526 456575975 /nfs/dbraw/zinc/57/59/75/456575975.db2.gz LIQCQNFDHRHKLJ-HNNXBMFYSA-N 2 2 348.472 3.052 20 0 EGADLP CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)n1 ZINC000276773526 456575980 /nfs/dbraw/zinc/57/59/80/456575980.db2.gz LIQCQNFDHRHKLJ-HNNXBMFYSA-N 2 2 348.472 3.052 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@@H]3c3ccnn3C(C)C)c[nH+]c12 ZINC000343405204 456598475 /nfs/dbraw/zinc/59/84/75/456598475.db2.gz ZZQPUQXELGEBRC-WMZOPIPTSA-N 2 2 339.443 3.040 20 0 EGADLP C[C@H](c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276881470 456609227 /nfs/dbraw/zinc/60/92/27/456609227.db2.gz GGHYHNXIPCFAAX-MGPQQGTHSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017252 456654445 /nfs/dbraw/zinc/65/44/45/456654445.db2.gz CTWGNHJMSRZLMO-APWZRJJASA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017252 456654452 /nfs/dbraw/zinc/65/44/52/456654452.db2.gz CTWGNHJMSRZLMO-APWZRJJASA-N 2 2 343.446 3.162 20 0 EGADLP COC(=O)[C@@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000348418067 456678214 /nfs/dbraw/zinc/67/82/14/456678214.db2.gz ZADOZRKYUAXHIT-FQEVSTJZSA-N 2 2 326.440 3.043 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000277112200 456685458 /nfs/dbraw/zinc/68/54/58/456685458.db2.gz HGFQQCSPADFSCH-UHFFFAOYSA-N 2 2 347.434 3.283 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000277112200 456685465 /nfs/dbraw/zinc/68/54/65/456685465.db2.gz HGFQQCSPADFSCH-UHFFFAOYSA-N 2 2 347.434 3.283 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176511 456686289 /nfs/dbraw/zinc/68/62/89/456686289.db2.gz TVWHNFALVAFHJV-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176511 456686295 /nfs/dbraw/zinc/68/62/95/456686295.db2.gz TVWHNFALVAFHJV-LSDHHAIUSA-N 2 2 325.412 3.039 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114542 456686684 /nfs/dbraw/zinc/68/66/84/456686684.db2.gz HIVBRVVGCZPZQE-XJKSGUPXSA-N 2 2 330.394 3.155 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114542 456686692 /nfs/dbraw/zinc/68/66/92/456686692.db2.gz HIVBRVVGCZPZQE-XJKSGUPXSA-N 2 2 330.394 3.155 20 0 EGADLP CCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000283022902 456692556 /nfs/dbraw/zinc/69/25/56/456692556.db2.gz PQKMJALHNVBHFE-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP CCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000283022902 456692559 /nfs/dbraw/zinc/69/25/59/456692559.db2.gz PQKMJALHNVBHFE-IBGZPJMESA-N 2 2 326.488 3.293 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166783 456705030 /nfs/dbraw/zinc/70/50/30/456705030.db2.gz KNYSZYJIOAZSGE-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166783 456705038 /nfs/dbraw/zinc/70/50/38/456705038.db2.gz KNYSZYJIOAZSGE-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)co2)cc1 ZINC000277168698 456706643 /nfs/dbraw/zinc/70/66/43/456706643.db2.gz KOHCDHMAKFWCSW-KRWDZBQOSA-N 2 2 329.444 3.266 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)co2)cc1 ZINC000277168698 456706646 /nfs/dbraw/zinc/70/66/46/456706646.db2.gz KOHCDHMAKFWCSW-KRWDZBQOSA-N 2 2 329.444 3.266 20 0 EGADLP CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655549 456729060 /nfs/dbraw/zinc/72/90/60/456729060.db2.gz MZRMHJZUYRYFBE-ZIAGYGMSSA-N 2 2 329.448 3.105 20 0 EGADLP CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655549 456729065 /nfs/dbraw/zinc/72/90/65/456729065.db2.gz MZRMHJZUYRYFBE-ZIAGYGMSSA-N 2 2 329.448 3.105 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)[NH+]1CCCCCC1 ZINC000338259665 456737466 /nfs/dbraw/zinc/73/74/66/456737466.db2.gz XVGLYIBBQFQQRP-CRAIPNDOSA-N 2 2 349.906 3.077 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343608149 456739647 /nfs/dbraw/zinc/73/96/47/456739647.db2.gz UILBSZJNLBZFGZ-UHFFFAOYSA-N 2 2 340.515 3.466 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343608149 456739655 /nfs/dbraw/zinc/73/96/55/456739655.db2.gz UILBSZJNLBZFGZ-UHFFFAOYSA-N 2 2 340.515 3.466 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000353539405 456743123 /nfs/dbraw/zinc/74/31/23/456743123.db2.gz XIZAUAXGZXKUDF-CVEARBPZSA-N 2 2 332.488 3.143 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000353539405 456743127 /nfs/dbraw/zinc/74/31/27/456743127.db2.gz XIZAUAXGZXKUDF-CVEARBPZSA-N 2 2 332.488 3.143 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902034 456749244 /nfs/dbraw/zinc/74/92/44/456749244.db2.gz SSCCUIVRDZPBIX-ZBFHGGJFSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000340902034 456749246 /nfs/dbraw/zinc/74/92/46/456749246.db2.gz SSCCUIVRDZPBIX-ZBFHGGJFSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000340902034 456749251 /nfs/dbraw/zinc/74/92/51/456749251.db2.gz SSCCUIVRDZPBIX-ZBFHGGJFSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000340902034 456749253 /nfs/dbraw/zinc/74/92/53/456749253.db2.gz SSCCUIVRDZPBIX-ZBFHGGJFSA-N 2 2 334.460 3.099 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000300422057 456783569 /nfs/dbraw/zinc/78/35/69/456783569.db2.gz LDNRLZGOCRGLHL-CJNGLKHVSA-N 2 2 325.294 3.454 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(Br)cc1 ZINC000300422057 456783575 /nfs/dbraw/zinc/78/35/75/456783575.db2.gz LDNRLZGOCRGLHL-CJNGLKHVSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000277420470 456819662 /nfs/dbraw/zinc/81/96/62/456819662.db2.gz APPNGKVBKPKIHZ-ZFWWWQNUSA-N 2 2 348.384 3.156 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@H+]1Cc1ccccc1 ZINC000277420470 456819668 /nfs/dbraw/zinc/81/96/68/456819668.db2.gz APPNGKVBKPKIHZ-ZFWWWQNUSA-N 2 2 348.384 3.156 20 0 EGADLP CCOc1ccc([C@@H](O)C2CC[NH+](CCn3cc[nH+]c3C)CC2)cc1 ZINC000291990018 456822755 /nfs/dbraw/zinc/82/27/55/456822755.db2.gz WURFXABSKCUHQF-HXUWFJFHSA-N 2 2 343.471 3.036 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc(F)cc1 ZINC000301244076 456832363 /nfs/dbraw/zinc/83/23/63/456832363.db2.gz NLPBBLVUAOOVQQ-KRWDZBQOSA-N 2 2 343.450 3.321 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cn2c1 ZINC000283796064 456840681 /nfs/dbraw/zinc/84/06/81/456840681.db2.gz AULSNNIPMGPLKB-FQEVSTJZSA-N 2 2 348.494 3.297 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cn2c1 ZINC000283796064 456840688 /nfs/dbraw/zinc/84/06/88/456840688.db2.gz AULSNNIPMGPLKB-FQEVSTJZSA-N 2 2 348.494 3.297 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353680068 456850657 /nfs/dbraw/zinc/85/06/57/456850657.db2.gz RDVQEXCTKVYLFQ-MRXNPFEDSA-N 2 2 329.448 3.110 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353680068 456850660 /nfs/dbraw/zinc/85/06/60/456850660.db2.gz RDVQEXCTKVYLFQ-MRXNPFEDSA-N 2 2 329.448 3.110 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000338723521 456854121 /nfs/dbraw/zinc/85/41/21/456854121.db2.gz XTBNIJMPKYGIPS-INIZCTEOSA-N 2 2 348.516 3.084 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000338723521 456854123 /nfs/dbraw/zinc/85/41/23/456854123.db2.gz XTBNIJMPKYGIPS-INIZCTEOSA-N 2 2 348.516 3.084 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cncc(Br)c1)CCC2 ZINC000341365468 456857047 /nfs/dbraw/zinc/85/70/47/456857047.db2.gz JUPAIJUZIFTWEW-CYBMUJFWSA-N 2 2 335.249 3.016 20 0 EGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c(OC)c1 ZINC000348803739 456862039 /nfs/dbraw/zinc/86/20/39/456862039.db2.gz CNXMCVGNDMFELH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c(OC)c1 ZINC000348803739 456862040 /nfs/dbraw/zinc/86/20/40/456862040.db2.gz CNXMCVGNDMFELH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c(OC)c1 ZINC000348803739 456862046 /nfs/dbraw/zinc/86/20/46/456862046.db2.gz CNXMCVGNDMFELH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c(OC)c1 ZINC000348803739 456862050 /nfs/dbraw/zinc/86/20/50/456862050.db2.gz CNXMCVGNDMFELH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000348844724 456882173 /nfs/dbraw/zinc/88/21/73/456882173.db2.gz QFPRXZHOTGQLPS-UHFFFAOYSA-N 2 2 340.471 3.188 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)sc2C1 ZINC000349189462 456906997 /nfs/dbraw/zinc/90/69/97/456906997.db2.gz LKKDISXNOYQVPK-UIAACRFSSA-N 2 2 339.508 3.338 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)sc2C1 ZINC000349189462 456907002 /nfs/dbraw/zinc/90/70/02/456907002.db2.gz LKKDISXNOYQVPK-UIAACRFSSA-N 2 2 339.508 3.338 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000353815913 456919523 /nfs/dbraw/zinc/91/95/23/456919523.db2.gz DYGYJLWKOAMREE-MJKGWSOKSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000353815913 456919528 /nfs/dbraw/zinc/91/95/28/456919528.db2.gz DYGYJLWKOAMREE-MJKGWSOKSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349290407 456932858 /nfs/dbraw/zinc/93/28/58/456932858.db2.gz XJZFLVWMSBPHOQ-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349290407 456932862 /nfs/dbraw/zinc/93/28/62/456932862.db2.gz XJZFLVWMSBPHOQ-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179837 456955986 /nfs/dbraw/zinc/95/59/86/456955986.db2.gz AWIOTGROGKEYBX-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179837 456955991 /nfs/dbraw/zinc/95/59/91/456955991.db2.gz AWIOTGROGKEYBX-YWZLYKJASA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]1C[C@H]1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406581 456962793 /nfs/dbraw/zinc/96/27/93/456962793.db2.gz LXEGWGLPQSSWHO-STQMWFEESA-N 2 2 338.249 3.397 20 0 EGADLP C[C@H]1C[C@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406581 456962799 /nfs/dbraw/zinc/96/27/99/456962799.db2.gz LXEGWGLPQSSWHO-STQMWFEESA-N 2 2 338.249 3.397 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000353923726 456967893 /nfs/dbraw/zinc/96/78/93/456967893.db2.gz OWXDLBHNVFKXGW-PMACEKPBSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000353923726 456967896 /nfs/dbraw/zinc/96/78/96/456967896.db2.gz OWXDLBHNVFKXGW-PMACEKPBSA-N 2 2 337.467 3.377 20 0 EGADLP CCCC[N@H+](CCOC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341873336 456980907 /nfs/dbraw/zinc/98/09/07/456980907.db2.gz HFBCVJCTYNSEGB-HXUWFJFHSA-N 2 2 334.504 3.026 20 0 EGADLP CCCC[NH+](CCOC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341873336 456980913 /nfs/dbraw/zinc/98/09/13/456980913.db2.gz HFBCVJCTYNSEGB-HXUWFJFHSA-N 2 2 334.504 3.026 20 0 EGADLP CCCC[NH+](CCOC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341873336 456980915 /nfs/dbraw/zinc/98/09/15/456980915.db2.gz HFBCVJCTYNSEGB-HXUWFJFHSA-N 2 2 334.504 3.026 20 0 EGADLP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349568541 456989064 /nfs/dbraw/zinc/98/90/64/456989064.db2.gz MHJGFARDOLTLEF-UHFFFAOYSA-N 2 2 325.865 3.027 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000341929159 457007973 /nfs/dbraw/zinc/00/79/73/457007973.db2.gz MFVZINNGQMXFDH-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000341929159 457007979 /nfs/dbraw/zinc/00/79/79/457007979.db2.gz MFVZINNGQMXFDH-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346494077 457045131 /nfs/dbraw/zinc/04/51/31/457045131.db2.gz QPHYUKNPWJAIGE-DNVCBOLYSA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000346494077 457045135 /nfs/dbraw/zinc/04/51/35/457045135.db2.gz QPHYUKNPWJAIGE-DNVCBOLYSA-N 2 2 339.439 3.124 20 0 EGADLP COc1cc2c(c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c1)O[C@@H](C)C2 ZINC000349800442 457056327 /nfs/dbraw/zinc/05/63/27/457056327.db2.gz DKCRUZDDALCMON-INIZCTEOSA-N 2 2 344.499 3.469 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356578948 457066344 /nfs/dbraw/zinc/06/63/44/457066344.db2.gz PBZKBIGYQIXVRB-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000356578948 457066352 /nfs/dbraw/zinc/06/63/52/457066352.db2.gz PBZKBIGYQIXVRB-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000356578948 457066358 /nfs/dbraw/zinc/06/63/58/457066358.db2.gz PBZKBIGYQIXVRB-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356578948 457066362 /nfs/dbraw/zinc/06/63/62/457066362.db2.gz PBZKBIGYQIXVRB-GBESFXJTSA-N 2 2 337.552 3.124 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354108986 457068876 /nfs/dbraw/zinc/06/88/76/457068876.db2.gz YAQNGONNXBQVKE-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354108986 457068878 /nfs/dbraw/zinc/06/88/78/457068878.db2.gz YAQNGONNXBQVKE-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000354108986 457068882 /nfs/dbraw/zinc/06/88/82/457068882.db2.gz YAQNGONNXBQVKE-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000354108986 457068883 /nfs/dbraw/zinc/06/88/83/457068883.db2.gz YAQNGONNXBQVKE-GOSISDBHSA-N 2 2 332.488 3.258 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000356592671 457073335 /nfs/dbraw/zinc/07/33/35/457073335.db2.gz DYTHIHYXNLZIJD-MRXNPFEDSA-N 2 2 328.460 3.031 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000356592671 457073341 /nfs/dbraw/zinc/07/33/41/457073341.db2.gz DYTHIHYXNLZIJD-MRXNPFEDSA-N 2 2 328.460 3.031 20 0 EGADLP CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000359536315 457092836 /nfs/dbraw/zinc/09/28/36/457092836.db2.gz XANWXFAOMSIBPP-HNNXBMFYSA-N 2 2 346.500 3.266 20 0 EGADLP CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000359536315 457092839 /nfs/dbraw/zinc/09/28/39/457092839.db2.gz XANWXFAOMSIBPP-HNNXBMFYSA-N 2 2 346.500 3.266 20 0 EGADLP COCC[N@H+](C)CCCC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000346653283 457093020 /nfs/dbraw/zinc/09/30/20/457093020.db2.gz JMWPETAMDNLVQB-UHFFFAOYSA-N 2 2 344.503 3.148 20 0 EGADLP COCC[N@@H+](C)CCCC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000346653283 457093023 /nfs/dbraw/zinc/09/30/23/457093023.db2.gz JMWPETAMDNLVQB-UHFFFAOYSA-N 2 2 344.503 3.148 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433772 457117143 /nfs/dbraw/zinc/11/71/43/457117143.db2.gz DLGALOLSWJZGAF-TZMCWYRMSA-N 2 2 338.879 3.115 20 0 EGADLP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(Cl)c1OC ZINC000339433772 457117144 /nfs/dbraw/zinc/11/71/44/457117144.db2.gz DLGALOLSWJZGAF-TZMCWYRMSA-N 2 2 338.879 3.115 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354218310 457137841 /nfs/dbraw/zinc/13/78/41/457137841.db2.gz AXFWDFQKHMBVHX-LSDHHAIUSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354218310 457137851 /nfs/dbraw/zinc/13/78/51/457137851.db2.gz AXFWDFQKHMBVHX-LSDHHAIUSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354218310 457137857 /nfs/dbraw/zinc/13/78/57/457137857.db2.gz AXFWDFQKHMBVHX-LSDHHAIUSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354218310 457137860 /nfs/dbraw/zinc/13/78/60/457137860.db2.gz AXFWDFQKHMBVHX-LSDHHAIUSA-N 2 2 332.467 3.500 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(COc4ccccc4)n3)C[C@@H]21 ZINC000342151246 457137837 /nfs/dbraw/zinc/13/78/37/457137837.db2.gz XFOUKYZUQXQUFF-JCGIZDLHSA-N 2 2 343.496 3.281 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(COc4ccccc4)n3)C[C@@H]21 ZINC000342151246 457137842 /nfs/dbraw/zinc/13/78/42/457137842.db2.gz XFOUKYZUQXQUFF-JCGIZDLHSA-N 2 2 343.496 3.281 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226702 457141703 /nfs/dbraw/zinc/14/17/03/457141703.db2.gz XLQMLLVWRDWGPO-GJYPPUQNSA-N 2 2 349.494 3.150 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226702 457141706 /nfs/dbraw/zinc/14/17/06/457141706.db2.gz XLQMLLVWRDWGPO-GJYPPUQNSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226702 457141710 /nfs/dbraw/zinc/14/17/10/457141710.db2.gz XLQMLLVWRDWGPO-GJYPPUQNSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226702 457141712 /nfs/dbraw/zinc/14/17/12/457141712.db2.gz XLQMLLVWRDWGPO-GJYPPUQNSA-N 2 2 349.494 3.150 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226703 457142615 /nfs/dbraw/zinc/14/26/15/457142615.db2.gz XLQMLLVWRDWGPO-MDZRGWNJSA-N 2 2 349.494 3.150 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226703 457142619 /nfs/dbraw/zinc/14/26/19/457142619.db2.gz XLQMLLVWRDWGPO-MDZRGWNJSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226703 457142624 /nfs/dbraw/zinc/14/26/24/457142624.db2.gz XLQMLLVWRDWGPO-MDZRGWNJSA-N 2 2 349.494 3.150 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@H]1C ZINC000354226703 457142630 /nfs/dbraw/zinc/14/26/30/457142630.db2.gz XLQMLLVWRDWGPO-MDZRGWNJSA-N 2 2 349.494 3.150 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000362919532 457155265 /nfs/dbraw/zinc/15/52/65/457155265.db2.gz VPTRKDMBCVKSQX-KBXCAEBGSA-N 2 2 328.391 3.050 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000350066075 457159510 /nfs/dbraw/zinc/15/95/10/457159510.db2.gz CVXPXLGSVRCUNR-YLJYHZDGSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000350066075 457159514 /nfs/dbraw/zinc/15/95/14/457159514.db2.gz CVXPXLGSVRCUNR-YLJYHZDGSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000350066075 457159518 /nfs/dbraw/zinc/15/95/18/457159518.db2.gz CVXPXLGSVRCUNR-YLJYHZDGSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000350066075 457159522 /nfs/dbraw/zinc/15/95/22/457159522.db2.gz CVXPXLGSVRCUNR-YLJYHZDGSA-N 2 2 345.531 3.012 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000339661361 457197852 /nfs/dbraw/zinc/19/78/52/457197852.db2.gz SYKDOWNRPTWUFB-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000339661361 457197855 /nfs/dbraw/zinc/19/78/55/457197855.db2.gz SYKDOWNRPTWUFB-KRWDZBQOSA-N 2 2 336.439 3.413 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041666 457200347 /nfs/dbraw/zinc/20/03/47/457200347.db2.gz LHNOCKXQKQXBJE-VXGBXAGGSA-N 2 2 340.393 3.151 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041666 457200348 /nfs/dbraw/zinc/20/03/48/457200348.db2.gz LHNOCKXQKQXBJE-VXGBXAGGSA-N 2 2 340.393 3.151 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354404658 457201696 /nfs/dbraw/zinc/20/16/96/457201696.db2.gz JENORZYZBTVDLP-HNULKUCHSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000354404658 457201697 /nfs/dbraw/zinc/20/16/97/457201697.db2.gz JENORZYZBTVDLP-HNULKUCHSA-N 2 2 344.499 3.217 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360012073 457204452 /nfs/dbraw/zinc/20/44/52/457204452.db2.gz ZOPWRVNNHQPLTH-QGZVFWFLSA-N 2 2 341.455 3.096 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360012073 457204453 /nfs/dbraw/zinc/20/44/53/457204453.db2.gz ZOPWRVNNHQPLTH-QGZVFWFLSA-N 2 2 341.455 3.096 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000360036933 457217896 /nfs/dbraw/zinc/21/78/96/457217896.db2.gz HUXSAPRUBJBYTE-OAHLLOKOSA-N 2 2 334.460 3.369 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000360036933 457217901 /nfs/dbraw/zinc/21/79/01/457217901.db2.gz HUXSAPRUBJBYTE-OAHLLOKOSA-N 2 2 334.460 3.369 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000347106156 457231773 /nfs/dbraw/zinc/23/17/73/457231773.db2.gz OAJWGZAPVVCFGY-MRVPVSSYSA-N 2 2 325.172 3.247 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000347106156 457231778 /nfs/dbraw/zinc/23/17/78/457231778.db2.gz OAJWGZAPVVCFGY-MRVPVSSYSA-N 2 2 325.172 3.247 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c[nH+]1 ZINC000354468288 457243772 /nfs/dbraw/zinc/24/37/72/457243772.db2.gz SXZZYAMNRAEWBR-NJDAHSKKSA-N 2 2 349.478 3.069 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820613 457290643 /nfs/dbraw/zinc/29/06/43/457290643.db2.gz USLLNPOLDWGSNV-YLJYHZDGSA-N 2 2 326.488 3.236 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820613 457290646 /nfs/dbraw/zinc/29/06/46/457290646.db2.gz USLLNPOLDWGSNV-YLJYHZDGSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820613 457290647 /nfs/dbraw/zinc/29/06/47/457290647.db2.gz USLLNPOLDWGSNV-YLJYHZDGSA-N 2 2 326.488 3.236 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(Cc3ccccc3)c2)C[C@H]1C ZINC000339820613 457290649 /nfs/dbraw/zinc/29/06/49/457290649.db2.gz USLLNPOLDWGSNV-YLJYHZDGSA-N 2 2 326.488 3.236 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000342419553 457294072 /nfs/dbraw/zinc/29/40/72/457294072.db2.gz NIHYYFSOOJDUFS-UHFFFAOYSA-N 2 2 343.496 3.198 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000342419553 457294078 /nfs/dbraw/zinc/29/40/78/457294078.db2.gz NIHYYFSOOJDUFS-UHFFFAOYSA-N 2 2 343.496 3.198 20 0 EGADLP COc1cc(C)[nH+]c(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000339831248 457298604 /nfs/dbraw/zinc/29/86/04/457298604.db2.gz PGPNHSZSDVZDCJ-FQEVSTJZSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)[nH+]c(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000339831248 457298609 /nfs/dbraw/zinc/29/86/09/457298609.db2.gz PGPNHSZSDVZDCJ-FQEVSTJZSA-N 2 2 339.483 3.495 20 0 EGADLP CCC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000347231950 457301356 /nfs/dbraw/zinc/30/13/56/457301356.db2.gz YDVXLYKNNCWEAJ-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP CCC[N@@H+](Cc1cc(Cl)c(OCC)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000347231950 457301360 /nfs/dbraw/zinc/30/13/60/457301360.db2.gz YDVXLYKNNCWEAJ-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)cc1OC ZINC000342435347 457303472 /nfs/dbraw/zinc/30/34/72/457303472.db2.gz MIUOWTHRQGNOTF-MRXNPFEDSA-N 2 2 328.456 3.314 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)cc1OC ZINC000342435347 457303475 /nfs/dbraw/zinc/30/34/75/457303475.db2.gz MIUOWTHRQGNOTF-MRXNPFEDSA-N 2 2 328.456 3.314 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357098286 457320966 /nfs/dbraw/zinc/32/09/66/457320966.db2.gz AHSDEYWTVNYWQT-CVEARBPZSA-N 2 2 344.890 3.184 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357098286 457320974 /nfs/dbraw/zinc/32/09/74/457320974.db2.gz AHSDEYWTVNYWQT-CVEARBPZSA-N 2 2 344.890 3.184 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1ccc(F)cn1 ZINC000332410678 457363832 /nfs/dbraw/zinc/36/38/32/457363832.db2.gz JQNJWNYTRSJVDF-JLSDUUJJSA-N 2 2 332.423 3.161 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352489273 457409106 /nfs/dbraw/zinc/40/91/06/457409106.db2.gz ZFEBYCHMWAQJLO-WBVHZDCISA-N 2 2 343.471 3.156 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352489273 457409111 /nfs/dbraw/zinc/40/91/11/457409111.db2.gz ZFEBYCHMWAQJLO-WBVHZDCISA-N 2 2 343.471 3.156 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000360941839 457449775 /nfs/dbraw/zinc/44/97/75/457449775.db2.gz MNLDJWOKUMGFAD-GOSISDBHSA-N 3 2 344.528 3.396 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1C ZINC000360943332 457450831 /nfs/dbraw/zinc/45/08/31/457450831.db2.gz IXZOXDSBIURGQX-CJNGLKHVSA-N 2 2 326.444 3.158 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1C ZINC000360943332 457450835 /nfs/dbraw/zinc/45/08/35/457450835.db2.gz IXZOXDSBIURGQX-CJNGLKHVSA-N 2 2 326.444 3.158 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000360953868 457462242 /nfs/dbraw/zinc/46/22/42/457462242.db2.gz JRAKCEQUMLUDMC-GOSISDBHSA-N 2 2 336.501 3.206 20 0 EGADLP CCC[C@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000342722926 457481104 /nfs/dbraw/zinc/48/11/04/457481104.db2.gz DAOWDNYUMKYFSG-IBGZPJMESA-N 2 2 326.488 3.215 20 0 EGADLP CCC[C@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@H+]1Cc1ccccc1 ZINC000342722926 457481108 /nfs/dbraw/zinc/48/11/08/457481108.db2.gz DAOWDNYUMKYFSG-IBGZPJMESA-N 2 2 326.488 3.215 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccncc2OCCC(C)(C)C)CC1 ZINC000352591987 457490034 /nfs/dbraw/zinc/49/00/34/457490034.db2.gz YLQFYYCZKHZDIF-UHFFFAOYSA-N 2 2 349.519 3.097 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000347534233 457491195 /nfs/dbraw/zinc/49/11/95/457491195.db2.gz WPOVGKCRLCVWKB-ZDUSSCGKSA-N 2 2 338.521 3.234 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005818 457494786 /nfs/dbraw/zinc/49/47/86/457494786.db2.gz QHPANQRXEAPWLR-GXTWGEPZSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005818 457494792 /nfs/dbraw/zinc/49/47/92/457494792.db2.gz QHPANQRXEAPWLR-GXTWGEPZSA-N 2 2 331.851 3.035 20 0 EGADLP CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425330714 457501220 /nfs/dbraw/zinc/50/12/20/457501220.db2.gz XYXPYJAMORSXSA-SFHVURJKSA-N 2 2 328.460 3.222 20 0 EGADLP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425330714 457501227 /nfs/dbraw/zinc/50/12/27/457501227.db2.gz XYXPYJAMORSXSA-SFHVURJKSA-N 2 2 328.460 3.222 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)CCC2 ZINC000364160150 457505030 /nfs/dbraw/zinc/50/50/30/457505030.db2.gz ZPZLMKPFCHMYIU-RDJZCZTQSA-N 2 2 339.418 3.310 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2csc(C)n2)[C@@H](C)C1 ZINC000361005709 457506144 /nfs/dbraw/zinc/50/61/44/457506144.db2.gz WRLIBUWGBNRLAY-DZKIICNBSA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2csc(C)n2)[C@@H](C)C1 ZINC000361005709 457506154 /nfs/dbraw/zinc/50/61/54/457506154.db2.gz WRLIBUWGBNRLAY-DZKIICNBSA-N 2 2 325.522 3.239 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000357414282 457506865 /nfs/dbraw/zinc/50/68/65/457506865.db2.gz MKTMJWCVEZLBLI-HOCLYGCPSA-N 2 2 325.412 3.086 20 0 EGADLP COCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)c1ccccc1 ZINC000347584015 457527034 /nfs/dbraw/zinc/52/70/34/457527034.db2.gz JGFFKPUJHPXPLJ-OAHLLOKOSA-N 2 2 333.501 3.414 20 0 EGADLP COCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](C)c1ccccc1 ZINC000347584015 457527041 /nfs/dbraw/zinc/52/70/41/457527041.db2.gz JGFFKPUJHPXPLJ-OAHLLOKOSA-N 2 2 333.501 3.414 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000364221938 457532137 /nfs/dbraw/zinc/53/21/37/457532137.db2.gz NAQCKFGEEBBLJN-KRWDZBQOSA-N 2 2 326.488 3.364 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccccc21 ZINC000364221938 457532143 /nfs/dbraw/zinc/53/21/43/457532143.db2.gz NAQCKFGEEBBLJN-KRWDZBQOSA-N 2 2 326.488 3.364 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356220785 457545059 /nfs/dbraw/zinc/54/50/59/457545059.db2.gz NPBBEUXVJXQTTD-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000356220785 457545067 /nfs/dbraw/zinc/54/50/67/457545067.db2.gz NPBBEUXVJXQTTD-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061821 457557020 /nfs/dbraw/zinc/55/70/20/457557020.db2.gz IXNQBAOIKPYPQI-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP c1coc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)c1 ZINC000361074579 457566574 /nfs/dbraw/zinc/56/65/74/457566574.db2.gz UMZOUAIPESHFAQ-UHFFFAOYSA-N 2 2 341.415 3.219 20 0 EGADLP CCCCN(C)C(=O)C1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000347640730 457568981 /nfs/dbraw/zinc/56/89/81/457568981.db2.gz QNXDLIKXZHLCRO-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP CCC[C@@H](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370163458 457570234 /nfs/dbraw/zinc/57/02/34/457570234.db2.gz QBGHABMQHHIBPY-IAGOWNOFSA-N 2 2 346.519 3.200 20 0 EGADLP CCCCO[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352757107 457585725 /nfs/dbraw/zinc/58/57/25/457585725.db2.gz DLMIZJPYOAQDDW-GJZGRUSLSA-N 2 2 325.522 3.278 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C(C)C)c2)CC1 ZINC000361139495 457609418 /nfs/dbraw/zinc/60/94/18/457609418.db2.gz FCIPLKGJQGRQPD-UHFFFAOYSA-N 2 2 332.488 3.317 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1c(F)cccc1Cl ZINC000374420956 457622061 /nfs/dbraw/zinc/62/20/61/457622061.db2.gz MUABGPRHOFXBJF-JEBQAFNWSA-N 2 2 340.870 3.205 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1c(F)cccc1Cl ZINC000374420956 457622070 /nfs/dbraw/zinc/62/20/70/457622070.db2.gz MUABGPRHOFXBJF-JEBQAFNWSA-N 2 2 340.870 3.205 20 0 EGADLP Fc1ccc(F)c2c1OCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000361189699 457639109 /nfs/dbraw/zinc/63/91/09/457639109.db2.gz WLNUXHNZXSWTBL-INIZCTEOSA-N 2 2 345.393 3.442 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000374496240 457642138 /nfs/dbraw/zinc/64/21/38/457642138.db2.gz LOSCIWUXQHOSLY-RBUKOAKNSA-N 2 2 334.891 3.462 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000361236204 457661673 /nfs/dbraw/zinc/66/16/73/457661673.db2.gz ICICXMOSUXJOCJ-DLBZAZTESA-N 2 2 326.525 3.058 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc(C)ccc1OC ZINC000357784192 457688526 /nfs/dbraw/zinc/68/85/26/457688526.db2.gz LLEDJJPYLGITSS-IEBWSBKVSA-N 2 2 334.504 3.137 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@@H+]1C1CC1 ZINC000357843514 457708911 /nfs/dbraw/zinc/70/89/11/457708911.db2.gz CRCGPAFTZPSONN-OCCSQVGLSA-N 2 2 343.393 3.084 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1 ZINC000357843514 457708914 /nfs/dbraw/zinc/70/89/14/457708914.db2.gz CRCGPAFTZPSONN-OCCSQVGLSA-N 2 2 343.393 3.084 20 0 EGADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1Cl ZINC000365342373 457744967 /nfs/dbraw/zinc/74/49/67/457744967.db2.gz FDTZKUDAPGVQJD-NEPJUHHUSA-N 2 2 333.234 3.085 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000426034289 457763495 /nfs/dbraw/zinc/76/34/95/457763495.db2.gz HUFSDFUOZOPBRH-RXQRSOPUSA-N 2 2 330.472 3.143 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000426034289 457763502 /nfs/dbraw/zinc/76/35/02/457763502.db2.gz HUFSDFUOZOPBRH-RXQRSOPUSA-N 2 2 330.472 3.143 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C/C=C\c2ccncc2)CC1 ZINC000426145052 457778247 /nfs/dbraw/zinc/77/82/47/457778247.db2.gz HXALWTXOYMVFNS-CIRMQIMFSA-N 2 2 336.483 3.476 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C/C=C\c2ccncc2)CC1 ZINC000426145052 457778253 /nfs/dbraw/zinc/77/82/53/457778253.db2.gz HXALWTXOYMVFNS-CIRMQIMFSA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](C/C=C\c2ccncc2)CC1 ZINC000426145052 457778261 /nfs/dbraw/zinc/77/82/61/457778261.db2.gz HXALWTXOYMVFNS-CIRMQIMFSA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](C/C=C\c2ccncc2)CC1 ZINC000426145052 457778264 /nfs/dbraw/zinc/77/82/64/457778264.db2.gz HXALWTXOYMVFNS-CIRMQIMFSA-N 2 2 336.483 3.476 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)[nH+]c2c1 ZINC000444000367 457837820 /nfs/dbraw/zinc/83/78/20/457837820.db2.gz WCHRGQUYJFCUAH-MRXNPFEDSA-N 2 2 327.472 3.133 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)[nH+]c2c1 ZINC000444000367 457837829 /nfs/dbraw/zinc/83/78/29/457837829.db2.gz WCHRGQUYJFCUAH-MRXNPFEDSA-N 2 2 327.472 3.133 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000371269884 457844929 /nfs/dbraw/zinc/84/49/29/457844929.db2.gz CEBKCFAQIOYMAL-LJQANCHMSA-N 2 2 326.444 3.342 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000426534646 457851747 /nfs/dbraw/zinc/85/17/47/457851747.db2.gz XBEPNECEKNKWQL-UHFFFAOYSA-N 2 2 338.386 3.109 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000426534646 457851753 /nfs/dbraw/zinc/85/17/53/457851753.db2.gz XBEPNECEKNKWQL-UHFFFAOYSA-N 2 2 338.386 3.109 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375268208 457858323 /nfs/dbraw/zinc/85/83/23/457858323.db2.gz SVTNOEAFZFMTDM-ZDUSSCGKSA-N 2 2 346.862 3.380 20 0 EGADLP CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252257 457890203 /nfs/dbraw/zinc/89/02/03/457890203.db2.gz LNPHERHEFGRVJK-JKSUJKDBSA-N 2 2 331.287 3.491 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434102649 457946946 /nfs/dbraw/zinc/94/69/46/457946946.db2.gz TVVUVSILTLGFOU-IRXDYDNUSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434102649 457946952 /nfs/dbraw/zinc/94/69/52/457946952.db2.gz TVVUVSILTLGFOU-IRXDYDNUSA-N 2 2 331.508 3.247 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000358388543 457970987 /nfs/dbraw/zinc/97/09/87/457970987.db2.gz ZRLJUGULMNKCNJ-GJZGRUSLSA-N 2 2 337.533 3.120 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000358388540 457971698 /nfs/dbraw/zinc/97/16/98/457971698.db2.gz ZRLJUGULMNKCNJ-CABCVRRESA-N 2 2 337.533 3.120 20 0 EGADLP O=C(C[C@H]1CCC[NH2+]CC1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000427295268 457972164 /nfs/dbraw/zinc/97/21/64/457972164.db2.gz NDTFBQHWRVIJPU-HNNXBMFYSA-N 2 2 340.471 3.481 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371526643 457975226 /nfs/dbraw/zinc/97/52/26/457975226.db2.gz RZVGRJWQHIABQM-GOSISDBHSA-N 2 2 338.455 3.373 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CO2 ZINC000371677899 458028648 /nfs/dbraw/zinc/02/86/48/458028648.db2.gz WXCGTNKWLQLPOD-HNNXBMFYSA-N 2 2 328.378 3.435 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Br ZINC000427890287 458048522 /nfs/dbraw/zinc/04/85/22/458048522.db2.gz ISUWDIGOSABAIY-ZYHUDNBSSA-N 2 2 338.224 3.450 20 0 EGADLP CC[N@@H+](Cc1occc1C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000412023908 458050887 /nfs/dbraw/zinc/05/08/87/458050887.db2.gz DLQMZZKMLYKNHR-QGZVFWFLSA-N 2 2 341.455 3.438 20 0 EGADLP CC[N@H+](Cc1occc1C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000412023908 458050890 /nfs/dbraw/zinc/05/08/90/458050890.db2.gz DLQMZZKMLYKNHR-QGZVFWFLSA-N 2 2 341.455 3.438 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccs1)CCC2 ZINC000362336955 458113055 /nfs/dbraw/zinc/11/30/55/458113055.db2.gz RKCKMRAFOUWAOK-CQSZACIVSA-N 2 2 341.484 3.321 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)CC2)n1 ZINC000358646816 458126638 /nfs/dbraw/zinc/12/66/38/458126638.db2.gz DXNJGCPDWYZLID-HNNXBMFYSA-N 2 2 345.516 3.092 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435395070 458136535 /nfs/dbraw/zinc/13/65/35/458136535.db2.gz QSZJYDJZKZBFQV-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435395070 458136529 /nfs/dbraw/zinc/13/65/29/458136529.db2.gz QSZJYDJZKZBFQV-CQSZACIVSA-N 2 2 326.868 3.321 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ncn1 ZINC000428428499 458138884 /nfs/dbraw/zinc/13/88/84/458138884.db2.gz XNIKZDMQLUOJQC-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)ncn1 ZINC000428428499 458138891 /nfs/dbraw/zinc/13/88/91/458138891.db2.gz XNIKZDMQLUOJQC-FQEVSTJZSA-N 2 2 338.499 3.348 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)Cn2c(CC)[nH+]c3ccccc32)c1 ZINC000428565185 458171046 /nfs/dbraw/zinc/17/10/46/458171046.db2.gz ZKHSWFQYOIGVAS-UHFFFAOYSA-N 2 2 336.439 3.347 20 0 EGADLP C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435611473 458172004 /nfs/dbraw/zinc/17/20/04/458172004.db2.gz SKONLMBGNRYIHG-SFHVURJKSA-N 2 2 349.494 3.027 20 0 EGADLP C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435611473 458172007 /nfs/dbraw/zinc/17/20/07/458172007.db2.gz SKONLMBGNRYIHG-SFHVURJKSA-N 2 2 349.494 3.027 20 0 EGADLP CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435618059 458175147 /nfs/dbraw/zinc/17/51/47/458175147.db2.gz PMIBLQWNIYGMKH-OAHLLOKOSA-N 2 2 337.895 3.359 20 0 EGADLP CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435618059 458175152 /nfs/dbraw/zinc/17/51/52/458175152.db2.gz PMIBLQWNIYGMKH-OAHLLOKOSA-N 2 2 337.895 3.359 20 0 EGADLP CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435630994 458177694 /nfs/dbraw/zinc/17/76/94/458177694.db2.gz ZGANAZPSUDJAOE-INIZCTEOSA-N 2 2 329.444 3.314 20 0 EGADLP CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435630994 458177698 /nfs/dbraw/zinc/17/76/98/458177698.db2.gz ZGANAZPSUDJAOE-INIZCTEOSA-N 2 2 329.444 3.314 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066218 458181332 /nfs/dbraw/zinc/18/13/32/458181332.db2.gz XLNWHJPYBVGDGF-ORYQWCPZSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-c2ccncc2)c1 ZINC000372066218 458181337 /nfs/dbraw/zinc/18/13/37/458181337.db2.gz XLNWHJPYBVGDGF-ORYQWCPZSA-N 2 2 337.467 3.262 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000435988398 458232622 /nfs/dbraw/zinc/23/26/22/458232622.db2.gz GMNJOWZVACUJAA-GOSISDBHSA-N 2 2 340.471 3.089 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000435988398 458232626 /nfs/dbraw/zinc/23/26/26/458232626.db2.gz GMNJOWZVACUJAA-GOSISDBHSA-N 2 2 340.471 3.089 20 0 EGADLP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376229993 458242512 /nfs/dbraw/zinc/24/25/12/458242512.db2.gz ZCFXQUHNNNAGNW-MRXNPFEDSA-N 2 2 349.519 3.467 20 0 EGADLP Cc1[nH+]c2ccccc2c(NCc2ccc(-n3cc[nH+]c3)nc2)c1C ZINC000376353351 458276077 /nfs/dbraw/zinc/27/60/77/458276077.db2.gz QDUNFXIUKDSATN-UHFFFAOYSA-N 2 2 329.407 3.466 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459171751 458282661 /nfs/dbraw/zinc/28/26/61/458282661.db2.gz XXEBXUFUGRXHPQ-KRWDZBQOSA-N 2 2 347.507 3.014 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459171751 458282667 /nfs/dbraw/zinc/28/26/67/458282667.db2.gz XXEBXUFUGRXHPQ-KRWDZBQOSA-N 2 2 347.507 3.014 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602518 458286225 /nfs/dbraw/zinc/28/62/25/458286225.db2.gz QRNOMKJHEYPPKI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602518 458286226 /nfs/dbraw/zinc/28/62/26/458286226.db2.gz QRNOMKJHEYPPKI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)o2)c1 ZINC000369602518 458286228 /nfs/dbraw/zinc/28/62/28/458286228.db2.gz QRNOMKJHEYPPKI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)o2)c1 ZINC000369602518 458286231 /nfs/dbraw/zinc/28/62/31/458286231.db2.gz QRNOMKJHEYPPKI-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[N@H+](C)C(C)C)CCC2 ZINC000447535885 458306400 /nfs/dbraw/zinc/30/64/00/458306400.db2.gz JCPPEHATAGZERN-OAHLLOKOSA-N 2 2 336.476 3.462 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[N@@H+](C)C(C)C)CCC2 ZINC000447535885 458306405 /nfs/dbraw/zinc/30/64/05/458306405.db2.gz JCPPEHATAGZERN-OAHLLOKOSA-N 2 2 336.476 3.462 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)[nH+]1 ZINC000436494839 458314393 /nfs/dbraw/zinc/31/43/93/458314393.db2.gz OHFVFVZZPMFIPT-OAHLLOKOSA-N 2 2 332.473 3.493 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548385 458343574 /nfs/dbraw/zinc/34/35/74/458343574.db2.gz MQJPCDZBRCRLLS-WOJBJXKFSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429548385 458343579 /nfs/dbraw/zinc/34/35/79/458343579.db2.gz MQJPCDZBRCRLLS-WOJBJXKFSA-N 2 2 345.531 3.306 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459362748 458345086 /nfs/dbraw/zinc/34/50/86/458345086.db2.gz GYHDLCCOAPIUHV-DZJNRPSUSA-N 2 2 331.485 3.200 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000459383286 458353314 /nfs/dbraw/zinc/35/33/14/458353314.db2.gz AXAVMMKTMIPWDB-MRXNPFEDSA-N 3 2 333.545 3.177 20 0 EGADLP CC(C)(C)C[N@H+](CCCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429692115 458359131 /nfs/dbraw/zinc/35/91/31/458359131.db2.gz ZKECHDIORPMNOQ-FQEVSTJZSA-N 2 2 348.531 3.008 20 0 EGADLP CC(C)(C)C[N@@H+](CCCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429692115 458359135 /nfs/dbraw/zinc/35/91/35/458359135.db2.gz ZKECHDIORPMNOQ-FQEVSTJZSA-N 2 2 348.531 3.008 20 0 EGADLP CC(C)(C)C[NH+](CCCO)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429692115 458359140 /nfs/dbraw/zinc/35/91/40/458359140.db2.gz ZKECHDIORPMNOQ-FQEVSTJZSA-N 2 2 348.531 3.008 20 0 EGADLP CC(C)(C)C[NH+](CCCO)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429692115 458359146 /nfs/dbraw/zinc/35/91/46/458359146.db2.gz ZKECHDIORPMNOQ-FQEVSTJZSA-N 2 2 348.531 3.008 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376676081 458366671 /nfs/dbraw/zinc/36/66/71/458366671.db2.gz ZLKNHIWZDRIYBJ-SFHVURJKSA-N 2 2 338.455 3.342 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459457786 458377384 /nfs/dbraw/zinc/37/73/84/458377384.db2.gz PZKXTKVWNQWWQN-YADHBBJMSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459457786 458377389 /nfs/dbraw/zinc/37/73/89/458377389.db2.gz PZKXTKVWNQWWQN-YADHBBJMSA-N 2 2 336.479 3.289 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448031959 458381412 /nfs/dbraw/zinc/38/14/12/458381412.db2.gz VQYUNCQNTCJROH-SJLPKXTDSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448031959 458381419 /nfs/dbraw/zinc/38/14/19/458381419.db2.gz VQYUNCQNTCJROH-SJLPKXTDSA-N 2 2 331.504 3.422 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(-n2ccnn2)c1 ZINC000376834080 458401193 /nfs/dbraw/zinc/40/11/93/458401193.db2.gz LVPYKSIPHXQGLC-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)CC2)n1 ZINC000373120732 458402755 /nfs/dbraw/zinc/40/27/55/458402755.db2.gz HJYRQTYUSLDCKS-HWOWSKLDSA-N 2 2 343.475 3.330 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2nccn21 ZINC000423481007 458439702 /nfs/dbraw/zinc/43/97/02/458439702.db2.gz WLYZGXDLQJSSKG-SIUPPRGNSA-N 2 2 328.435 3.011 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000423507282 458446110 /nfs/dbraw/zinc/44/61/10/458446110.db2.gz IFOYYQBKELYXJQ-VOQZNFBZSA-N 2 2 346.478 3.338 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000437350007 458447624 /nfs/dbraw/zinc/44/76/24/458447624.db2.gz ZIVOWPCNSPKILD-RNQOJCNYSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000437350007 458447626 /nfs/dbraw/zinc/44/76/26/458447626.db2.gz ZIVOWPCNSPKILD-RNQOJCNYSA-N 2 2 344.499 3.218 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCCC1 ZINC000423510075 458447750 /nfs/dbraw/zinc/44/77/50/458447750.db2.gz RZFKBUCOAFAUPO-MHTWAQMVSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CCCC1 ZINC000423510075 458447754 /nfs/dbraw/zinc/44/77/54/458447754.db2.gz RZFKBUCOAFAUPO-MHTWAQMVSA-N 3 2 327.516 3.004 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430552858 458459663 /nfs/dbraw/zinc/45/96/63/458459663.db2.gz BWPZVXHUGINUNR-JXFKEZNVSA-N 2 2 333.520 3.025 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000430559585 458461074 /nfs/dbraw/zinc/46/10/74/458461074.db2.gz DOMZZRZMJOQPJI-JXFKEZNVSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000430559585 458461080 /nfs/dbraw/zinc/46/10/80/458461080.db2.gz DOMZZRZMJOQPJI-JXFKEZNVSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000430560977 458461870 /nfs/dbraw/zinc/46/18/70/458461870.db2.gz JHSQHBZRGIJHJI-CVEARBPZSA-N 2 2 349.544 3.209 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000430560977 458461872 /nfs/dbraw/zinc/46/18/72/458461872.db2.gz JHSQHBZRGIJHJI-CVEARBPZSA-N 2 2 349.544 3.209 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000430564077 458462481 /nfs/dbraw/zinc/46/24/81/458462481.db2.gz YHQFMOXTCZPXBJ-CYBMUJFWSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000430564077 458462488 /nfs/dbraw/zinc/46/24/88/458462488.db2.gz YHQFMOXTCZPXBJ-CYBMUJFWSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000430576358 458465104 /nfs/dbraw/zinc/46/51/04/458465104.db2.gz XCUCDJBINDTHHY-RTWAWAEBSA-N 2 2 343.515 3.141 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000430583846 458466948 /nfs/dbraw/zinc/46/69/48/458466948.db2.gz NPAWSECHWQHTKJ-HXUWFJFHSA-N 2 2 341.455 3.380 20 0 EGADLP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760054 458515631 /nfs/dbraw/zinc/51/56/31/458515631.db2.gz INHNVKJTPBMGDF-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760054 458515635 /nfs/dbraw/zinc/51/56/35/458515635.db2.gz INHNVKJTPBMGDF-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760054 458515640 /nfs/dbraw/zinc/51/56/40/458515640.db2.gz INHNVKJTPBMGDF-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000377760054 458515649 /nfs/dbraw/zinc/51/56/49/458515649.db2.gz INHNVKJTPBMGDF-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP CC1CC[NH+]([C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000493630923 458517614 /nfs/dbraw/zinc/51/76/14/458517614.db2.gz NATDAJBVUZGMEV-DVBCCOPCSA-N 2 2 338.455 3.012 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000431072719 458525499 /nfs/dbraw/zinc/52/54/99/458525499.db2.gz ZIBUNBYKIJWJCY-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1CC[NH2+]CC1 ZINC000431072719 458525502 /nfs/dbraw/zinc/52/55/02/458525502.db2.gz ZIBUNBYKIJWJCY-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555835 458526771 /nfs/dbraw/zinc/52/67/71/458526771.db2.gz RCBDTJTVBMTOSW-PBHICJAKSA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555835 458526777 /nfs/dbraw/zinc/52/67/77/458526777.db2.gz RCBDTJTVBMTOSW-PBHICJAKSA-N 2 2 344.421 3.337 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101454 458532752 /nfs/dbraw/zinc/53/27/52/458532752.db2.gz OTHOJOSGMHHMMW-JXFKEZNVSA-N 2 2 344.478 3.375 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101454 458532757 /nfs/dbraw/zinc/53/27/57/458532757.db2.gz OTHOJOSGMHHMMW-JXFKEZNVSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101454 458532762 /nfs/dbraw/zinc/53/27/62/458532762.db2.gz OTHOJOSGMHHMMW-JXFKEZNVSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@@H]1C ZINC000438101454 458532767 /nfs/dbraw/zinc/53/27/67/458532767.db2.gz OTHOJOSGMHHMMW-JXFKEZNVSA-N 2 2 344.478 3.375 20 0 EGADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377817917 458541081 /nfs/dbraw/zinc/54/10/81/458541081.db2.gz WXMUQLNDCKMVJM-RBUKOAKNSA-N 2 2 337.423 3.448 20 0 EGADLP C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C[NH3+] ZINC000424054476 458546780 /nfs/dbraw/zinc/54/67/80/458546780.db2.gz ARQSXRGNHGBVGH-BFYDXBDKSA-N 2 2 339.439 3.319 20 0 EGADLP CCCCNC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000373597217 458547098 /nfs/dbraw/zinc/54/70/98/458547098.db2.gz UGWUMXKQNIAQRU-HNNXBMFYSA-N 2 2 342.487 3.286 20 0 EGADLP [NH3+][C@@H](CCC(=O)NCc1ccn2cc[nH+]c2c1)CC1CCCCC1 ZINC000424143438 458568492 /nfs/dbraw/zinc/56/84/92/458568492.db2.gz JSAIQJIQFADZFE-KRWDZBQOSA-N 2 2 328.460 3.028 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772260 458590407 /nfs/dbraw/zinc/59/04/07/458590407.db2.gz KPJWPNFHMPBYSC-IRXDYDNUSA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772260 458590412 /nfs/dbraw/zinc/59/04/12/458590412.db2.gz KPJWPNFHMPBYSC-IRXDYDNUSA-N 2 2 344.421 3.245 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000493933660 458601975 /nfs/dbraw/zinc/60/19/75/458601975.db2.gz DVXYJNZFCTWFLE-DTTOXWODSA-N 2 2 329.488 3.043 20 0 EGADLP C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424279024 458602341 /nfs/dbraw/zinc/60/23/41/458602341.db2.gz FCROIDRRUHPHKY-AWEZNQCLSA-N 2 2 333.476 3.335 20 0 EGADLP C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424279024 458602347 /nfs/dbraw/zinc/60/23/47/458602347.db2.gz FCROIDRRUHPHKY-AWEZNQCLSA-N 2 2 333.476 3.335 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCc3ccccc3OC1)C2 ZINC000493937076 458604133 /nfs/dbraw/zinc/60/41/33/458604133.db2.gz NFZYKABEFLVHPM-SJORKVTESA-N 2 2 339.483 3.479 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000373818453 458612191 /nfs/dbraw/zinc/61/21/91/458612191.db2.gz MPIDWUHYAACRTO-FHLIZLRMSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000373818453 458612197 /nfs/dbraw/zinc/61/21/97/458612197.db2.gz MPIDWUHYAACRTO-FHLIZLRMSA-N 2 2 338.879 3.032 20 0 EGADLP COCC(C)(C)C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000494026146 458618654 /nfs/dbraw/zinc/61/86/54/458618654.db2.gz HDZWZWNLLPRPRS-UHFFFAOYSA-N 2 2 326.525 3.062 20 0 EGADLP COCC(C)(C)C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000494026146 458618657 /nfs/dbraw/zinc/61/86/57/458618657.db2.gz HDZWZWNLLPRPRS-UHFFFAOYSA-N 2 2 326.525 3.062 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1 ZINC000424340635 458620965 /nfs/dbraw/zinc/62/09/65/458620965.db2.gz YMBFQCPKKQXAIY-KZNAEPCWSA-N 2 2 349.494 3.279 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494429790 458675596 /nfs/dbraw/zinc/67/55/96/458675596.db2.gz KZRUAUOFXKDYHK-INIZCTEOSA-N 2 2 341.846 3.135 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203158 458681728 /nfs/dbraw/zinc/68/17/28/458681728.db2.gz CKQYMWZWFIKBKB-FOIQADDNSA-N 2 2 347.934 3.377 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203158 458681733 /nfs/dbraw/zinc/68/17/33/458681733.db2.gz CKQYMWZWFIKBKB-FOIQADDNSA-N 2 2 347.934 3.377 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC000432420797 458737777 /nfs/dbraw/zinc/73/77/77/458737777.db2.gz MQMMYIFAEFYTNI-ZIAGYGMSSA-N 2 2 325.522 3.165 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)s1 ZINC000432420797 458737783 /nfs/dbraw/zinc/73/77/83/458737783.db2.gz MQMMYIFAEFYTNI-ZIAGYGMSSA-N 2 2 325.522 3.165 20 0 EGADLP Cc1cc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000432940140 458816356 /nfs/dbraw/zinc/81/63/56/458816356.db2.gz QKSZXHMDMFALOH-INIZCTEOSA-N 2 2 326.444 3.459 20 0 EGADLP CC1=CC[N@H+](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000495321144 458833926 /nfs/dbraw/zinc/83/39/26/458833926.db2.gz AONSSHFYMUDWPD-AYHJJNSGSA-N 2 2 349.519 3.159 20 0 EGADLP CC1=CC[N@@H+](CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000495321144 458833930 /nfs/dbraw/zinc/83/39/30/458833930.db2.gz AONSSHFYMUDWPD-AYHJJNSGSA-N 2 2 349.519 3.159 20 0 EGADLP Brc1c[nH+]ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000548152084 458846152 /nfs/dbraw/zinc/84/61/52/458846152.db2.gz ZFOBQWXOVCRAQF-UHFFFAOYSA-N 2 2 338.274 3.228 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000457118453 458874299 /nfs/dbraw/zinc/87/42/99/458874299.db2.gz MXZDNIRLLXQQRY-QGZVFWFLSA-N 2 2 339.439 3.429 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000457118453 458874302 /nfs/dbraw/zinc/87/43/02/458874302.db2.gz MXZDNIRLLXQQRY-QGZVFWFLSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140697 458876922 /nfs/dbraw/zinc/87/69/22/458876922.db2.gz DWLJQVFHQWIEGD-HIFRSBDPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140697 458876925 /nfs/dbraw/zinc/87/69/25/458876925.db2.gz DWLJQVFHQWIEGD-HIFRSBDPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140697 458876930 /nfs/dbraw/zinc/87/69/30/458876930.db2.gz DWLJQVFHQWIEGD-HIFRSBDPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC000531140697 458876933 /nfs/dbraw/zinc/87/69/33/458876933.db2.gz DWLJQVFHQWIEGD-HIFRSBDPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140708 458877288 /nfs/dbraw/zinc/87/72/88/458877288.db2.gz DWLJQVFHQWIEGD-ZFWWWQNUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140708 458877292 /nfs/dbraw/zinc/87/72/92/458877292.db2.gz DWLJQVFHQWIEGD-ZFWWWQNUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140708 458877296 /nfs/dbraw/zinc/87/72/96/458877296.db2.gz DWLJQVFHQWIEGD-ZFWWWQNUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)C[C@@H]1C ZINC000531140708 458877299 /nfs/dbraw/zinc/87/72/99/458877299.db2.gz DWLJQVFHQWIEGD-ZFWWWQNUSA-N 2 2 337.895 3.392 20 0 EGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000474365378 458881048 /nfs/dbraw/zinc/88/10/48/458881048.db2.gz AKROEYFIYGOXET-RBUKOAKNSA-N 2 2 336.907 3.370 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000474597937 458892532 /nfs/dbraw/zinc/89/25/32/458892532.db2.gz BFCHVUHRMWTQAZ-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000474597937 458892538 /nfs/dbraw/zinc/89/25/38/458892538.db2.gz BFCHVUHRMWTQAZ-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000495606775 458896335 /nfs/dbraw/zinc/89/63/35/458896335.db2.gz VTEOZSFZXSWPBD-OAHLLOKOSA-N 2 2 344.459 3.265 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)Nc1nc(C[NH+](C)C)cs1)c1ccccc1 ZINC000457293061 458914013 /nfs/dbraw/zinc/91/40/13/458914013.db2.gz PFDVIXPBYFGNAD-INIZCTEOSA-N 2 2 346.500 3.226 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441321714 458919967 /nfs/dbraw/zinc/91/99/67/458919967.db2.gz DLFQNTBGUWFKRQ-FHWLQOOXSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441321714 458919973 /nfs/dbraw/zinc/91/99/73/458919973.db2.gz DLFQNTBGUWFKRQ-FHWLQOOXSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441321714 458919978 /nfs/dbraw/zinc/91/99/78/458919978.db2.gz DLFQNTBGUWFKRQ-FHWLQOOXSA-N 2 2 345.531 3.367 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441321714 458919981 /nfs/dbraw/zinc/91/99/81/458919981.db2.gz DLFQNTBGUWFKRQ-FHWLQOOXSA-N 2 2 345.531 3.367 20 0 EGADLP CC[C@@H](C(=O)Nc1nc(C[NH+](C)C)cs1)[N@H+](C)Cc1ccccc1 ZINC000457319653 458920811 /nfs/dbraw/zinc/92/08/11/458920811.db2.gz XVAFLKKDZOBZEJ-INIZCTEOSA-N 2 2 346.500 3.054 20 0 EGADLP CC[C@@H](C(=O)Nc1nc(C[NH+](C)C)cs1)[N@@H+](C)Cc1ccccc1 ZINC000457319653 458920816 /nfs/dbraw/zinc/92/08/16/458920816.db2.gz XVAFLKKDZOBZEJ-INIZCTEOSA-N 2 2 346.500 3.054 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000576850465 458935812 /nfs/dbraw/zinc/93/58/12/458935812.db2.gz CWLRGMVYHCEMON-QINHECLXSA-N 2 2 337.467 3.415 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000576861439 458935919 /nfs/dbraw/zinc/93/59/19/458935919.db2.gz QDOUPUUDLDKRLB-DNVCBOLYSA-N 2 2 329.488 3.293 20 0 EGADLP COc1cc(F)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000556607513 458978186 /nfs/dbraw/zinc/97/81/86/458978186.db2.gz FGNQABXCZJDRBC-GFCCVEGCSA-N 2 2 333.407 3.227 20 0 EGADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCOCC1 ZINC000519705712 458990817 /nfs/dbraw/zinc/99/08/17/458990817.db2.gz FGHXTDOQSAYRJK-KXBFYZLASA-N 2 2 336.907 3.219 20 0 EGADLP CCOC(=O)[C@H](CC)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324797 459015949 /nfs/dbraw/zinc/01/59/49/459015949.db2.gz YEQQEMSNNWHMHU-WBVHZDCISA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@H](CC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324797 459015954 /nfs/dbraw/zinc/01/59/54/459015954.db2.gz YEQQEMSNNWHMHU-WBVHZDCISA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@H](CC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577324797 459015961 /nfs/dbraw/zinc/01/59/61/459015961.db2.gz YEQQEMSNNWHMHU-WBVHZDCISA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@H](CC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577324797 459015965 /nfs/dbraw/zinc/01/59/65/459015965.db2.gz YEQQEMSNNWHMHU-WBVHZDCISA-N 2 2 338.517 3.152 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000566969724 459029374 /nfs/dbraw/zinc/02/93/74/459029374.db2.gz LGNOROIKPRWTDG-NQIIRXRSSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000566969724 459029377 /nfs/dbraw/zinc/02/93/77/459029377.db2.gz LGNOROIKPRWTDG-NQIIRXRSSA-N 2 2 326.484 3.090 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762724 459032968 /nfs/dbraw/zinc/03/29/68/459032968.db2.gz FPLTZQPATRPIAE-DLBZAZTESA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762724 459032971 /nfs/dbraw/zinc/03/29/71/459032971.db2.gz FPLTZQPATRPIAE-DLBZAZTESA-N 2 2 329.488 3.021 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)Cc2ccccc2C1 ZINC000442793270 459036636 /nfs/dbraw/zinc/03/66/36/459036636.db2.gz RLAOWAHOMSYRLL-SFHVURJKSA-N 2 2 345.490 3.324 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532239851 459052628 /nfs/dbraw/zinc/05/26/28/459052628.db2.gz SSULACBRTXLROU-SJORKVTESA-N 2 2 331.504 3.459 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532239851 459052636 /nfs/dbraw/zinc/05/26/36/459052636.db2.gz SSULACBRTXLROU-SJORKVTESA-N 2 2 331.504 3.459 20 0 EGADLP CCSCc1cc[nH+]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000594497931 459062275 /nfs/dbraw/zinc/06/22/75/459062275.db2.gz LRXSYQHOIWRAST-QGZVFWFLSA-N 2 2 335.517 3.390 20 0 EGADLP CN(CCC[NH+]1CCC([NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC000496097985 459066105 /nfs/dbraw/zinc/06/61/05/459066105.db2.gz HVOGBOLOXQNUFJ-UHFFFAOYSA-N 2 2 339.524 3.194 20 0 EGADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000443016920 459075506 /nfs/dbraw/zinc/07/55/06/459075506.db2.gz XQQFIWXCRJOJBJ-DYESRHJHSA-N 2 2 349.482 3.357 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149719 459087548 /nfs/dbraw/zinc/08/75/48/459087548.db2.gz WKKAFSPTFDGQFS-JJRVBVJISA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149719 459087551 /nfs/dbraw/zinc/08/75/51/459087551.db2.gz WKKAFSPTFDGQFS-JJRVBVJISA-N 2 2 348.491 3.035 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000520833273 459098740 /nfs/dbraw/zinc/09/87/40/459098740.db2.gz UBSKQWXLTTWHHH-FXAWDEMLSA-N 2 2 330.447 3.012 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000520833273 459098743 /nfs/dbraw/zinc/09/87/43/459098743.db2.gz UBSKQWXLTTWHHH-FXAWDEMLSA-N 2 2 330.447 3.012 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2cc(Br)ccc2F)n1C ZINC000567407756 459101503 /nfs/dbraw/zinc/10/15/03/459101503.db2.gz IXELUCFHSCJCAV-SNVBAGLBSA-N 2 2 340.240 3.351 20 0 EGADLP Cc1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198122 459104688 /nfs/dbraw/zinc/10/46/88/459104688.db2.gz QWRKTGSYGJRDKG-PBHICJAKSA-N 2 2 333.476 3.382 20 0 EGADLP Cc1cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198122 459104691 /nfs/dbraw/zinc/10/46/91/459104691.db2.gz QWRKTGSYGJRDKG-PBHICJAKSA-N 2 2 333.476 3.382 20 0 EGADLP Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000521067778 459117968 /nfs/dbraw/zinc/11/79/68/459117968.db2.gz CBPJGQIXGUDHCA-LJQANCHMSA-N 2 2 343.446 3.061 20 0 EGADLP Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000521067778 459117975 /nfs/dbraw/zinc/11/79/75/459117975.db2.gz CBPJGQIXGUDHCA-LJQANCHMSA-N 2 2 343.446 3.061 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000479283601 459131498 /nfs/dbraw/zinc/13/14/98/459131498.db2.gz NSODMVUCOWRIKG-WWGRRREGSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000479283601 459131506 /nfs/dbraw/zinc/13/15/06/459131506.db2.gz NSODMVUCOWRIKG-WWGRRREGSA-N 2 2 325.294 3.452 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000558389733 459152416 /nfs/dbraw/zinc/15/24/16/459152416.db2.gz YQILFKVOILGXCJ-WIYYLYMNSA-N 2 2 326.484 3.354 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000558389733 459152418 /nfs/dbraw/zinc/15/24/18/459152418.db2.gz YQILFKVOILGXCJ-WIYYLYMNSA-N 2 2 326.484 3.354 20 0 EGADLP Cc1ccc(SCC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1C ZINC000568176348 459239224 /nfs/dbraw/zinc/23/92/24/459239224.db2.gz XGDAYJSXZABJRR-UHFFFAOYSA-N 2 2 336.545 3.220 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000559753076 459275405 /nfs/dbraw/zinc/27/54/05/459275405.db2.gz KYHNNQAPVVHXDB-RXVVDRJESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000559753076 459275409 /nfs/dbraw/zinc/27/54/09/459275409.db2.gz KYHNNQAPVVHXDB-RXVVDRJESA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790519 459276996 /nfs/dbraw/zinc/27/69/96/459276996.db2.gz YBTBYSPCACTGGY-BHYGNILZSA-N 2 2 327.476 3.414 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790519 459277003 /nfs/dbraw/zinc/27/70/03/459277003.db2.gz YBTBYSPCACTGGY-BHYGNILZSA-N 2 2 327.476 3.414 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000482152859 459293137 /nfs/dbraw/zinc/29/31/37/459293137.db2.gz YNFGQGGYJIHDMU-FGZHOGPDSA-N 2 2 340.511 3.336 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000482152859 459293144 /nfs/dbraw/zinc/29/31/44/459293144.db2.gz YNFGQGGYJIHDMU-FGZHOGPDSA-N 2 2 340.511 3.336 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000482249376 459298800 /nfs/dbraw/zinc/29/88/00/459298800.db2.gz YXZOEQWWPMRVOC-SJLPKXTDSA-N 2 2 338.467 3.028 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000482249376 459298806 /nfs/dbraw/zinc/29/88/06/459298806.db2.gz YXZOEQWWPMRVOC-SJLPKXTDSA-N 2 2 338.467 3.028 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000582125082 459312404 /nfs/dbraw/zinc/31/24/04/459312404.db2.gz GFJUOMIKRZFSFL-UOIKSKOESA-N 2 2 330.501 3.093 20 0 EGADLP Cc1nnsc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000582125082 459312407 /nfs/dbraw/zinc/31/24/07/459312407.db2.gz GFJUOMIKRZFSFL-UOIKSKOESA-N 2 2 330.501 3.093 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772935 459318743 /nfs/dbraw/zinc/31/87/43/459318743.db2.gz GVXSUUCMSVNTQJ-HZPDHXFCSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000496772935 459318750 /nfs/dbraw/zinc/31/87/50/459318750.db2.gz GVXSUUCMSVNTQJ-HZPDHXFCSA-N 2 2 348.491 3.236 20 0 EGADLP CC[N@H+](C[C@H](O)CCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000482727913 459322892 /nfs/dbraw/zinc/32/28/92/459322892.db2.gz AUIAKJUCOXKXJS-LJQANCHMSA-N 2 2 333.520 3.417 20 0 EGADLP CC[N@@H+](C[C@H](O)CCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000482727913 459322897 /nfs/dbraw/zinc/32/28/97/459322897.db2.gz AUIAKJUCOXKXJS-LJQANCHMSA-N 2 2 333.520 3.417 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000534580882 459335427 /nfs/dbraw/zinc/33/54/27/459335427.db2.gz UMWMYWLVUUTIDS-INIZCTEOSA-N 2 2 334.423 3.001 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000534580882 459335431 /nfs/dbraw/zinc/33/54/31/459335431.db2.gz UMWMYWLVUUTIDS-INIZCTEOSA-N 2 2 334.423 3.001 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)c(F)c1 ZINC000560422504 459341868 /nfs/dbraw/zinc/34/18/68/459341868.db2.gz RQSQPSAVSLGPOU-ZFWWWQNUSA-N 2 2 328.859 3.223 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3F)C[C@H]21 ZINC000568772103 459344431 /nfs/dbraw/zinc/34/44/31/459344431.db2.gz OAVDQLJSRUYTDI-MRCXROJRSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3F)C[C@H]21 ZINC000568772103 459344442 /nfs/dbraw/zinc/34/44/42/459344442.db2.gz OAVDQLJSRUYTDI-MRCXROJRSA-N 2 2 345.231 3.287 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524252005 459353005 /nfs/dbraw/zinc/35/30/05/459353005.db2.gz WVYBSRNJAOTXBM-IBGZPJMESA-N 2 2 337.552 3.366 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000524252005 459353007 /nfs/dbraw/zinc/35/30/07/459353007.db2.gz WVYBSRNJAOTXBM-IBGZPJMESA-N 2 2 337.552 3.366 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000496877043 459355789 /nfs/dbraw/zinc/35/57/89/459355789.db2.gz SVGNIHHYCSOTPA-OAGGEKHMSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000496877043 459355792 /nfs/dbraw/zinc/35/57/92/459355792.db2.gz SVGNIHHYCSOTPA-OAGGEKHMSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560688322 459387645 /nfs/dbraw/zinc/38/76/45/459387645.db2.gz FUBMSMZAJYTRSV-MRXNPFEDSA-N 2 2 338.455 3.009 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000582628551 459397530 /nfs/dbraw/zinc/39/75/30/459397530.db2.gz ZFPUPTPGVRUOQT-GFCCVEGCSA-N 2 2 331.273 3.451 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497001727 459401229 /nfs/dbraw/zinc/40/12/29/459401229.db2.gz KERUTVYDEPAIEU-BZUAXINKSA-N 2 2 336.480 3.039 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000582820493 459431000 /nfs/dbraw/zinc/43/10/00/459431000.db2.gz GYFZVVLFMKLEHQ-FXAWDEMLSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000582820493 459431006 /nfs/dbraw/zinc/43/10/06/459431006.db2.gz GYFZVVLFMKLEHQ-FXAWDEMLSA-N 2 2 337.467 3.125 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867035 459458495 /nfs/dbraw/zinc/45/84/95/459458495.db2.gz MHAFQBNTCFXMOR-DOTOQJQBSA-N 2 2 326.444 3.110 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867035 459458498 /nfs/dbraw/zinc/45/84/98/459458498.db2.gz MHAFQBNTCFXMOR-DOTOQJQBSA-N 2 2 326.444 3.110 20 0 EGADLP CC(C)(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000595892130 459477406 /nfs/dbraw/zinc/47/74/06/459477406.db2.gz KYCJJDILNDSHLD-HUUCEWRRSA-N 2 2 330.394 3.371 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000569768545 459504710 /nfs/dbraw/zinc/50/47/10/459504710.db2.gz IJDZYGRSVKOJEX-VLCRHTCISA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000569768545 459504713 /nfs/dbraw/zinc/50/47/13/459504713.db2.gz IJDZYGRSVKOJEX-VLCRHTCISA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509270 /nfs/dbraw/zinc/50/92/70/459509270.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509271 /nfs/dbraw/zinc/50/92/71/459509271.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509273 /nfs/dbraw/zinc/50/92/73/459509273.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904558 459509274 /nfs/dbraw/zinc/50/92/74/459509274.db2.gz ROLGYZFQQDINPX-PSWRPDDJSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509518 /nfs/dbraw/zinc/50/95/18/459509518.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509522 /nfs/dbraw/zinc/50/95/22/459509522.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509529 /nfs/dbraw/zinc/50/95/29/459509529.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904557 459509534 /nfs/dbraw/zinc/50/95/34/459509534.db2.gz ROLGYZFQQDINPX-FVTFTPSCSA-N 3 2 341.543 3.219 20 0 EGADLP c1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000583388685 459530697 /nfs/dbraw/zinc/53/06/97/459530697.db2.gz AOPMCUCFBNSEFD-PZJWPPBQSA-N 2 2 327.516 3.258 20 0 EGADLP c1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000583388685 459530700 /nfs/dbraw/zinc/53/07/00/459530700.db2.gz AOPMCUCFBNSEFD-PZJWPPBQSA-N 2 2 327.516 3.258 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C2 ZINC000526003870 459530855 /nfs/dbraw/zinc/53/08/55/459530855.db2.gz BLHYKWSXQYLNCO-HRCADAONSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)CC2 ZINC000526003870 459530864 /nfs/dbraw/zinc/53/08/64/459530864.db2.gz BLHYKWSXQYLNCO-HRCADAONSA-N 2 2 346.519 3.017 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000562748973 459640308 /nfs/dbraw/zinc/64/03/08/459640308.db2.gz BMMIVMPTBZPGRO-KBXCAEBGSA-N 2 2 338.411 3.090 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cc(F)c1F ZINC000584116086 459659372 /nfs/dbraw/zinc/65/93/72/459659372.db2.gz IHVOXRNVAUKDPN-UHFFFAOYSA-N 2 2 344.203 3.446 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)cc(F)c1F ZINC000584116086 459659377 /nfs/dbraw/zinc/65/93/77/459659377.db2.gz IHVOXRNVAUKDPN-UHFFFAOYSA-N 2 2 344.203 3.446 20 0 EGADLP Cc1cccn2cc(CC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)[nH+]c12 ZINC000562940378 459674911 /nfs/dbraw/zinc/67/49/11/459674911.db2.gz VQVICXMDBVUPMU-IBGZPJMESA-N 2 2 348.450 3.373 20 0 EGADLP CC1(C)CC([NH2+]Cc2ncc(Br)cc2F)CC(C)(C)[NH2+]1 ZINC000527632803 459677450 /nfs/dbraw/zinc/67/74/50/459677450.db2.gz WXTLKICEKUPOAY-UHFFFAOYSA-N 2 2 344.272 3.382 20 0 EGADLP C[C@@H](C[NH2+]Cc1ncc(Cl)cc1Br)C[NH+]1CCCC1 ZINC000527641609 459681878 /nfs/dbraw/zinc/68/18/78/459681878.db2.gz UGWLFUJKOWYCPR-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP c1cc2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cc2[nH]1 ZINC000527640856 459681974 /nfs/dbraw/zinc/68/19/74/459681974.db2.gz OEEYKGAVMPKTDD-UHFFFAOYSA-N 2 2 335.451 3.290 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000584239743 459688771 /nfs/dbraw/zinc/68/87/71/459688771.db2.gz KSTWHRJOWMNICK-SJORKVTESA-N 2 2 328.500 3.421 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527686010 459700802 /nfs/dbraw/zinc/70/08/02/459700802.db2.gz ZHBSHZSNDOGKKU-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000563095397 459715588 /nfs/dbraw/zinc/71/55/88/459715588.db2.gz RDBMKAKJBGFGLT-MRXNPFEDSA-N 2 2 342.487 3.091 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544347642 459750364 /nfs/dbraw/zinc/75/03/64/459750364.db2.gz OUWKAOVHCBFMAL-COPCDDAFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544347642 459750369 /nfs/dbraw/zinc/75/03/69/459750369.db2.gz OUWKAOVHCBFMAL-COPCDDAFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007096 459794306 /nfs/dbraw/zinc/79/43/06/459794306.db2.gz BIMAOQXAHLWYBF-UZLBHIALSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000528007096 459794309 /nfs/dbraw/zinc/79/43/09/459794309.db2.gz BIMAOQXAHLWYBF-UZLBHIALSA-N 2 2 341.499 3.481 20 0 EGADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000566257685 459830570 /nfs/dbraw/zinc/83/05/70/459830570.db2.gz LJPDEKZHNFAKLE-HUUCEWRRSA-N 2 2 342.487 3.326 20 0 EGADLP CN(C)c1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc[nH+]1 ZINC000566423024 459865829 /nfs/dbraw/zinc/86/58/29/459865829.db2.gz JKJCBZZUTCUDGS-MRXNPFEDSA-N 2 2 332.835 3.042 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)CC(C)C ZINC000588706123 459972776 /nfs/dbraw/zinc/97/27/76/459972776.db2.gz HKTTWDLQCJSCQJ-SFHVURJKSA-N 2 2 344.503 3.058 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575427395 459973544 /nfs/dbraw/zinc/97/35/44/459973544.db2.gz PZKVQHHSSJHCKJ-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000575427395 459973550 /nfs/dbraw/zinc/97/35/50/459973550.db2.gz PZKVQHHSSJHCKJ-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP CCOc1cncc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000621725335 460031333 /nfs/dbraw/zinc/03/13/33/460031333.db2.gz KYAFWSVODGWSNC-UHFFFAOYSA-N 2 2 327.428 3.227 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)c2ccccc21 ZINC000621749998 460048512 /nfs/dbraw/zinc/04/85/12/460048512.db2.gz GSAAAYFRGAEUCB-HXUWFJFHSA-N 2 2 337.467 3.206 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000621749998 460048516 /nfs/dbraw/zinc/04/85/16/460048516.db2.gz GSAAAYFRGAEUCB-HXUWFJFHSA-N 2 2 337.467 3.206 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625142268 460049174 /nfs/dbraw/zinc/04/91/74/460049174.db2.gz XKRIAUMRPJVKFI-AWEZNQCLSA-N 2 2 326.375 3.023 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1c[nH]c2ccc(F)cc12 ZINC000625142268 460049182 /nfs/dbraw/zinc/04/91/82/460049182.db2.gz XKRIAUMRPJVKFI-AWEZNQCLSA-N 2 2 326.375 3.023 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782147 460061389 /nfs/dbraw/zinc/06/13/89/460061389.db2.gz NBKLFONFXGQCAU-WIYYLYMNSA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782147 460061396 /nfs/dbraw/zinc/06/13/96/460061396.db2.gz NBKLFONFXGQCAU-WIYYLYMNSA-N 2 2 335.451 3.252 20 0 EGADLP CCCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914597 460113735 /nfs/dbraw/zinc/11/37/35/460113735.db2.gz BOWHRKZIUDARIX-MOPGFXCFSA-N 2 2 337.552 3.076 20 0 EGADLP CCCC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914597 460113740 /nfs/dbraw/zinc/11/37/40/460113740.db2.gz BOWHRKZIUDARIX-MOPGFXCFSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[NH+]1CCCC1 ZINC000602767328 460114523 /nfs/dbraw/zinc/11/45/23/460114523.db2.gz IKTNVOKDJAXCRQ-HNNXBMFYSA-N 2 2 325.412 3.088 20 0 EGADLP CCCCN(C(=O)CCc1[nH]cc[nH+]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000622354474 460254056 /nfs/dbraw/zinc/25/40/56/460254056.db2.gz UECMOJAYLUFSGF-UHFFFAOYSA-N 2 2 334.508 3.280 20 0 EGADLP Fc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517357 460314848 /nfs/dbraw/zinc/31/48/48/460314848.db2.gz RPALDSNDVAWJLK-CQSZACIVSA-N 2 2 326.843 3.212 20 0 EGADLP CN1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000623015121 460383855 /nfs/dbraw/zinc/38/38/55/460383855.db2.gz GFFOBPYUSSFPJS-NRFANRHFSA-N 2 2 329.532 3.172 20 0 EGADLP CN1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000623015121 460383858 /nfs/dbraw/zinc/38/38/58/460383858.db2.gz GFFOBPYUSSFPJS-NRFANRHFSA-N 2 2 329.532 3.172 20 0 EGADLP COC(=O)CC1(C[NH2+][C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000619650633 460403832 /nfs/dbraw/zinc/40/38/32/460403832.db2.gz PLBDFOGLYFLHKO-SFHVURJKSA-N 2 2 330.472 3.147 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000623089000 460408445 /nfs/dbraw/zinc/40/84/45/460408445.db2.gz PPIBGWQSKVIOLT-UHFFFAOYSA-N 2 2 348.441 3.452 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000628476489 460431516 /nfs/dbraw/zinc/43/15/16/460431516.db2.gz PKRZPOZMVDRRQY-UHFFFAOYSA-N 2 2 327.472 3.245 20 0 EGADLP COc1ccc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1F ZINC000628483527 460436690 /nfs/dbraw/zinc/43/66/90/460436690.db2.gz QJIDKFPWEQJKGO-HNNXBMFYSA-N 2 2 325.387 3.472 20 0 EGADLP COc1ccc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1F ZINC000628483527 460436696 /nfs/dbraw/zinc/43/66/96/460436696.db2.gz QJIDKFPWEQJKGO-HNNXBMFYSA-N 2 2 325.387 3.472 20 0 EGADLP C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000628754004 460528908 /nfs/dbraw/zinc/52/89/08/460528908.db2.gz MMXVCHPQDOEKRA-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCCC[C@@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000628754004 460528918 /nfs/dbraw/zinc/52/89/18/460528918.db2.gz MMXVCHPQDOEKRA-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@H](C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)Cn1cc[nH+]c1 ZINC000620757777 460764493 /nfs/dbraw/zinc/76/44/93/460764493.db2.gz FMVKEJRIMNFTCC-OAHLLOKOSA-N 2 2 343.862 3.207 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3scnc32)[C@H](C)C1 ZINC000623894843 460766136 /nfs/dbraw/zinc/76/61/36/460766136.db2.gz CDQQMFCZDAWCNF-PMPSAXMXSA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3scnc32)[C@H](C)C1 ZINC000623894843 460766139 /nfs/dbraw/zinc/76/61/39/460766139.db2.gz CDQQMFCZDAWCNF-PMPSAXMXSA-N 2 2 337.533 3.247 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000617342994 460819607 /nfs/dbraw/zinc/81/96/07/460819607.db2.gz JPIQIESESZXLON-HNNXBMFYSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000617342994 460819611 /nfs/dbraw/zinc/81/96/11/460819611.db2.gz JPIQIESESZXLON-HNNXBMFYSA-N 2 2 339.439 3.477 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(C3CCC3)s2)CC[C@H]1C(F)(F)F ZINC000629654831 460849608 /nfs/dbraw/zinc/84/96/08/460849608.db2.gz IOYULYJJTURFHH-WCQYABFASA-N 2 2 333.423 3.370 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CC[C@H]1C(F)(F)F ZINC000629654831 460849614 /nfs/dbraw/zinc/84/96/14/460849614.db2.gz IOYULYJJTURFHH-WCQYABFASA-N 2 2 333.423 3.370 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624826 460859697 /nfs/dbraw/zinc/85/96/97/460859697.db2.gz NSUDCEQNBLCBHU-KXBFYZLASA-N 2 2 338.455 3.066 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624826 460859704 /nfs/dbraw/zinc/85/97/04/460859704.db2.gz NSUDCEQNBLCBHU-KXBFYZLASA-N 2 2 338.455 3.066 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000624124173 460873091 /nfs/dbraw/zinc/87/30/91/460873091.db2.gz ZCBGZXNECRMCBK-CJNGLKHVSA-N 2 2 328.859 3.488 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000624124173 460873096 /nfs/dbraw/zinc/87/30/96/460873096.db2.gz ZCBGZXNECRMCBK-CJNGLKHVSA-N 2 2 328.859 3.488 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702882 460875721 /nfs/dbraw/zinc/87/57/21/460875721.db2.gz VRFAMEZJOUYDBQ-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702882 460875728 /nfs/dbraw/zinc/87/57/28/460875728.db2.gz VRFAMEZJOUYDBQ-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[NH+](C)Cc1ccc(F)c(-c2cnn(Cc3[nH+]ccn3C(F)F)c2)c1 ZINC000629736184 460897388 /nfs/dbraw/zinc/89/73/88/460897388.db2.gz DOSIEFCGJHMYMG-UHFFFAOYSA-N 2 2 349.360 3.391 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624227657 460920948 /nfs/dbraw/zinc/92/09/48/460920948.db2.gz WSGVBEPBQNBBCV-DOTOQJQBSA-N 2 2 334.529 3.439 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624227657 460920951 /nfs/dbraw/zinc/92/09/51/460920951.db2.gz WSGVBEPBQNBBCV-DOTOQJQBSA-N 2 2 334.529 3.439 20 0 EGADLP CCOc1cncc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000621369003 461011437 /nfs/dbraw/zinc/01/14/37/461011437.db2.gz CXRNEUNNFVGHMH-FQEVSTJZSA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000621369003 461011441 /nfs/dbraw/zinc/01/14/41/461011441.db2.gz CXRNEUNNFVGHMH-FQEVSTJZSA-N 2 2 325.456 3.235 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628162160 461025097 /nfs/dbraw/zinc/02/50/97/461025097.db2.gz GJGVUZXUKMUHKF-AWEZNQCLSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628162160 461025102 /nfs/dbraw/zinc/02/51/02/461025102.db2.gz GJGVUZXUKMUHKF-AWEZNQCLSA-N 2 2 335.249 3.186 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000628205297 461048695 /nfs/dbraw/zinc/04/86/95/461048695.db2.gz KHVWBPBXKVSGSA-UHFFFAOYSA-N 2 2 329.419 3.445 20 0 EGADLP Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(C)[nH+]1 ZINC000659000967 461131654 /nfs/dbraw/zinc/13/16/54/461131654.db2.gz NJFZUALGZIWALF-SJLPKXTDSA-N 2 2 342.418 3.105 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950364 461148517 /nfs/dbraw/zinc/14/85/17/461148517.db2.gz CPAMIOJDFJNSER-GOEBONIOSA-N 2 2 327.428 3.294 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2 ZINC000637950364 461148520 /nfs/dbraw/zinc/14/85/20/461148520.db2.gz CPAMIOJDFJNSER-GOEBONIOSA-N 2 2 327.428 3.294 20 0 EGADLP Brc1c2ccccc2oc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266601 461153876 /nfs/dbraw/zinc/15/38/76/461153876.db2.gz NMXWMMQYIFXVQV-INIZCTEOSA-N 2 2 335.245 3.381 20 0 EGADLP Brc1c2ccccc2oc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000662266601 461153886 /nfs/dbraw/zinc/15/38/86/461153886.db2.gz NMXWMMQYIFXVQV-INIZCTEOSA-N 2 2 335.245 3.381 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@H](C[NH3+])C3CCCCC3)on2)cc1 ZINC000662275892 461160335 /nfs/dbraw/zinc/16/03/35/461160335.db2.gz COACWYNVNYBABZ-LJQANCHMSA-N 2 2 329.444 3.347 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638065932 461224521 /nfs/dbraw/zinc/22/45/21/461224521.db2.gz DEMGDIGTFAIQBI-QUCCMNQESA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638065932 461224531 /nfs/dbraw/zinc/22/45/31/461224531.db2.gz DEMGDIGTFAIQBI-QUCCMNQESA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638065932 461224534 /nfs/dbraw/zinc/22/45/34/461224534.db2.gz DEMGDIGTFAIQBI-QUCCMNQESA-N 2 2 338.499 3.325 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638065932 461224539 /nfs/dbraw/zinc/22/45/39/461224539.db2.gz DEMGDIGTFAIQBI-QUCCMNQESA-N 2 2 338.499 3.325 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(OC)C1CC1 ZINC000638105959 461241866 /nfs/dbraw/zinc/24/18/66/461241866.db2.gz XYEYDTAEHIBQSO-FQEVSTJZSA-N 2 2 331.504 3.435 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(OC)C1CC1 ZINC000638105959 461241872 /nfs/dbraw/zinc/24/18/72/461241872.db2.gz XYEYDTAEHIBQSO-FQEVSTJZSA-N 2 2 331.504 3.435 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2[nH+]c1C(C)(C)C ZINC000655471562 461267342 /nfs/dbraw/zinc/26/73/42/461267342.db2.gz QRMRRCCINMFDIZ-XOBRGWDASA-N 2 2 340.471 3.199 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000638176442 461288225 /nfs/dbraw/zinc/28/82/25/461288225.db2.gz DQEWKSLSJNWPDL-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000638176442 461288231 /nfs/dbraw/zinc/28/82/31/461288231.db2.gz DQEWKSLSJNWPDL-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000638176442 461288234 /nfs/dbraw/zinc/28/82/34/461288234.db2.gz DQEWKSLSJNWPDL-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000638176442 461288239 /nfs/dbraw/zinc/28/82/39/461288239.db2.gz DQEWKSLSJNWPDL-CZUORRHYSA-N 2 2 338.879 3.273 20 0 EGADLP Cc1ccc(C[NH+]2CCOCC2)cc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638257490 461336739 /nfs/dbraw/zinc/33/67/39/461336739.db2.gz BOHSWXGNABLRBD-LJQANCHMSA-N 2 2 340.471 3.124 20 0 EGADLP CC1CC[NH+]([C@@H](C[NH2+]CCCc2cnn(C)c2)c2cccs2)CC1 ZINC000638291644 461350335 /nfs/dbraw/zinc/35/03/35/461350335.db2.gz RUYJSSQLRHSRKU-SFHVURJKSA-N 2 2 346.544 3.477 20 0 EGADLP COc1cccc([C@@H](C[NH2+]CCC2CCOCC2)[NH+]2CCCC2)c1 ZINC000638316051 461362258 /nfs/dbraw/zinc/36/22/58/461362258.db2.gz LDISCVGWAOVYAX-HXUWFJFHSA-N 2 2 332.488 3.238 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000655689732 461364317 /nfs/dbraw/zinc/36/43/17/461364317.db2.gz LXJWBMXPNFHERG-OAHLLOKOSA-N 2 2 346.368 3.187 20 0 EGADLP Cn1cc[nH+]c1[C@H]1N(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1(C)C ZINC000662756197 461365272 /nfs/dbraw/zinc/36/52/72/461365272.db2.gz IDTKBTLVHIUIFS-SJLPKXTDSA-N 2 2 346.519 3.408 20 0 EGADLP c1ccc(OC2CCCC2)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655695129 461367740 /nfs/dbraw/zinc/36/77/40/461367740.db2.gz RIGXKSVQBTZCDD-LJQANCHMSA-N 2 2 344.499 3.351 20 0 EGADLP Clc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655701358 461372131 /nfs/dbraw/zinc/37/21/31/461372131.db2.gz SKUZJZARJYUNLV-WMLDXEAASA-N 2 2 336.863 3.007 20 0 EGADLP CC(C)C[C@H](CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](C)C ZINC000668669445 461375997 /nfs/dbraw/zinc/37/59/97/461375997.db2.gz SYTBKBWZCFGKIY-QZTJIDSGSA-N 2 2 342.487 3.024 20 0 EGADLP NC(=O)[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000638343342 461377460 /nfs/dbraw/zinc/37/74/60/461377460.db2.gz LYHZFGXDIQLDGM-SESVDKBCSA-N 2 2 349.478 3.171 20 0 EGADLP NC(=O)[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000638343342 461377466 /nfs/dbraw/zinc/37/74/66/461377466.db2.gz LYHZFGXDIQLDGM-SESVDKBCSA-N 2 2 349.478 3.171 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cs2)c(OC)c1 ZINC000641802051 461379716 /nfs/dbraw/zinc/37/97/16/461379716.db2.gz HHOZFROTZYNSOD-HZPDHXFCSA-N 2 2 347.484 3.043 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000638354392 461381907 /nfs/dbraw/zinc/38/19/07/461381907.db2.gz LKFJJWVGLMOKNC-HNNXBMFYSA-N 2 2 337.345 3.033 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000668715393 461393677 /nfs/dbraw/zinc/39/36/77/461393677.db2.gz ONIDHGADMGVTFD-OAHLLOKOSA-N 2 2 331.287 3.491 20 0 EGADLP Nc1c(F)cccc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000638386336 461401444 /nfs/dbraw/zinc/40/14/44/461401444.db2.gz PXQHLKVOUQBNIE-UHFFFAOYSA-N 2 2 331.410 3.301 20 0 EGADLP CC[C@@H](CSc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736388 461402435 /nfs/dbraw/zinc/40/24/35/461402435.db2.gz DZHDBYWZTCBSMN-WMZOPIPTSA-N 2 2 334.529 3.400 20 0 EGADLP OCC1CC[NH+](Cc2cccc(N[C@H]3CCCn4cc[nH+]c43)c2)CC1 ZINC000655746326 461414581 /nfs/dbraw/zinc/41/45/81/461414581.db2.gz SIYYRYRRJQUEFC-IBGZPJMESA-N 2 2 340.471 3.034 20 0 EGADLP Clc1cccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655764491 461431166 /nfs/dbraw/zinc/43/11/66/461431166.db2.gz IXWDIZDIMXJDII-ATZDWAIDSA-N 2 2 334.891 3.429 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000655772517 461438055 /nfs/dbraw/zinc/43/80/55/461438055.db2.gz YBRRSQZFVZIPPV-UHFFFAOYSA-N 2 2 339.418 3.142 20 0 EGADLP C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653078004 461490846 /nfs/dbraw/zinc/49/08/46/461490846.db2.gz RJVJONJOUKGNSQ-MGPUTAFESA-N 2 2 339.483 3.171 20 0 EGADLP Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653078637 461491441 /nfs/dbraw/zinc/49/14/41/461491441.db2.gz GVOWDFJNDMGVCC-QGZVFWFLSA-N 2 2 343.496 3.364 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655848380 461496590 /nfs/dbraw/zinc/49/65/90/461496590.db2.gz IKSQDMOOBPTKIU-KFKAGJAMSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655848380 461496598 /nfs/dbraw/zinc/49/65/98/461496598.db2.gz IKSQDMOOBPTKIU-KFKAGJAMSA-N 2 2 345.487 3.019 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655849920 461498290 /nfs/dbraw/zinc/49/82/90/461498290.db2.gz QWLAJQLJGNBCSW-FFZOFVMBSA-N 2 2 332.488 3.379 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655849920 461498299 /nfs/dbraw/zinc/49/82/99/461498299.db2.gz QWLAJQLJGNBCSW-FFZOFVMBSA-N 2 2 332.488 3.379 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105101 461503232 /nfs/dbraw/zinc/50/32/32/461503232.db2.gz GFCYHQIKXVYCQD-CQSZACIVSA-N 2 2 326.444 3.091 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000655857523 461506664 /nfs/dbraw/zinc/50/66/64/461506664.db2.gz VLIFCDBFESQHNH-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000655857523 461506675 /nfs/dbraw/zinc/50/66/75/461506675.db2.gz VLIFCDBFESQHNH-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631056630 461508164 /nfs/dbraw/zinc/50/81/64/461508164.db2.gz LBTYFHRULLSXIL-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000631056630 461508170 /nfs/dbraw/zinc/50/81/70/461508170.db2.gz LBTYFHRULLSXIL-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000647170390 461541104 /nfs/dbraw/zinc/54/11/04/461541104.db2.gz YFJWTRRRTHIVED-UHFFFAOYSA-N 2 2 326.488 3.077 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000647170390 461541116 /nfs/dbraw/zinc/54/11/16/461541116.db2.gz YFJWTRRRTHIVED-UHFFFAOYSA-N 2 2 326.488 3.077 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCCNc2cccc[nH+]2)o1 ZINC000647178806 461547030 /nfs/dbraw/zinc/54/70/30/461547030.db2.gz LAKCNEGIQPKWHB-UHFFFAOYSA-N 2 2 339.443 3.365 20 0 EGADLP CN(C(=O)CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1 ZINC000663357769 461586084 /nfs/dbraw/zinc/58/60/84/461586084.db2.gz XQXZILZDINIHNH-UHFFFAOYSA-N 2 2 336.439 3.138 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638811980 461593147 /nfs/dbraw/zinc/59/31/47/461593147.db2.gz PBJHFCJDRAAFBL-IHPCNDPISA-N 2 2 343.515 3.105 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638811980 461593154 /nfs/dbraw/zinc/59/31/54/461593154.db2.gz PBJHFCJDRAAFBL-IHPCNDPISA-N 2 2 343.515 3.105 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000631182812 461622382 /nfs/dbraw/zinc/62/23/82/461622382.db2.gz VQDFFUUZHUHFOV-IBGZPJMESA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000631182812 461622390 /nfs/dbraw/zinc/62/23/90/461622390.db2.gz VQDFFUUZHUHFOV-IBGZPJMESA-N 2 2 343.515 3.271 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]CCc1cn3c(cccc3C)[nH+]1)C2 ZINC000647364040 461659010 /nfs/dbraw/zinc/65/90/10/461659010.db2.gz QSMDJGJFRSVTTO-QGZVFWFLSA-N 2 2 335.451 3.341 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)cn21 ZINC000647364658 461659090 /nfs/dbraw/zinc/65/90/90/461659090.db2.gz HSGIVEQIJQPAKH-FQEVSTJZSA-N 2 2 348.494 3.439 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)cn21 ZINC000647364658 461659092 /nfs/dbraw/zinc/65/90/92/461659092.db2.gz HSGIVEQIJQPAKH-FQEVSTJZSA-N 2 2 348.494 3.439 20 0 EGADLP CCC[NH+]1CCC(N(C)c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663484772 461668602 /nfs/dbraw/zinc/66/86/02/461668602.db2.gz INTBXFAAERADMF-UHFFFAOYSA-N 2 2 341.297 3.167 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000656252744 461673570 /nfs/dbraw/zinc/67/35/70/461673570.db2.gz YRVKLUGSHSXUKD-UHFFFAOYSA-N 2 2 339.418 3.423 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072643 461707504 /nfs/dbraw/zinc/70/75/04/461707504.db2.gz YFNQWQPKKVPABA-HBFSDRIKSA-N 3 2 336.483 3.156 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639072643 461707511 /nfs/dbraw/zinc/70/75/11/461707511.db2.gz YFNQWQPKKVPABA-HBFSDRIKSA-N 3 2 336.483 3.156 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc(Cl)c1OC ZINC000647498612 461737479 /nfs/dbraw/zinc/73/74/79/461737479.db2.gz LCBSIRIYXCEHHA-DZGCQCFKSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc(Cl)c1OC ZINC000647498612 461737486 /nfs/dbraw/zinc/73/74/86/461737486.db2.gz LCBSIRIYXCEHHA-DZGCQCFKSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCCO1 ZINC000639120011 461740773 /nfs/dbraw/zinc/74/07/73/461740773.db2.gz KOGHTRDWZNNFML-AWEZNQCLSA-N 2 2 349.425 3.104 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCCO1 ZINC000639120011 461740781 /nfs/dbraw/zinc/74/07/81/461740781.db2.gz KOGHTRDWZNNFML-AWEZNQCLSA-N 2 2 349.425 3.104 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647506933 461741385 /nfs/dbraw/zinc/74/13/85/461741385.db2.gz GGQJNDCAOZOMSS-MGPUTAFESA-N 2 2 328.456 3.175 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647506933 461741395 /nfs/dbraw/zinc/74/13/95/461741395.db2.gz GGQJNDCAOZOMSS-MGPUTAFESA-N 2 2 328.456 3.175 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]CCN3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123483 461744789 /nfs/dbraw/zinc/74/47/89/461744789.db2.gz LGYTWCSXAIPDLV-TZIWHRDSSA-N 2 2 325.500 3.206 20 0 EGADLP c1ccc([C@H]2C[C@H]([NH2+]CCN3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123483 461744799 /nfs/dbraw/zinc/74/47/99/461744799.db2.gz LGYTWCSXAIPDLV-TZIWHRDSSA-N 2 2 325.500 3.206 20 0 EGADLP CCC1([NH+]2CCOCC2)CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000631396084 461750722 /nfs/dbraw/zinc/75/07/22/461750722.db2.gz XRDCKRGCIYARJJ-UHFFFAOYSA-N 2 2 325.456 3.316 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643511784 461751160 /nfs/dbraw/zinc/75/11/60/461751160.db2.gz MSIQHUUDDHXKRU-PMPSAXMXSA-N 2 2 341.293 3.242 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542481 461753741 /nfs/dbraw/zinc/75/37/41/461753741.db2.gz UQEZOQVXIVUWKS-WBVHZDCISA-N 2 2 336.439 3.017 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000647542481 461753744 /nfs/dbraw/zinc/75/37/44/461753744.db2.gz UQEZOQVXIVUWKS-WBVHZDCISA-N 2 2 336.439 3.017 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000643538507 461758207 /nfs/dbraw/zinc/75/82/07/461758207.db2.gz LQRUJZZHEBBWLY-DZKIICNBSA-N 2 2 341.268 3.060 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H](OC)[C@H]3CCOC3)ccc2n1C1CC1 ZINC000639143693 461761156 /nfs/dbraw/zinc/76/11/56/461761156.db2.gz ZDWJZGZIFKXDNV-HNAYVOBHSA-N 2 2 343.471 3.075 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153184 461767783 /nfs/dbraw/zinc/76/77/83/461767783.db2.gz FTKWFPUUBZLLGN-SJLPKXTDSA-N 2 2 339.487 3.284 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153184 461767788 /nfs/dbraw/zinc/76/77/88/461767788.db2.gz FTKWFPUUBZLLGN-SJLPKXTDSA-N 2 2 339.487 3.284 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660422491 461769124 /nfs/dbraw/zinc/76/91/24/461769124.db2.gz GPXPJNNKYMCQIE-HOCLYGCPSA-N 2 2 332.410 3.279 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660422491 461769129 /nfs/dbraw/zinc/76/91/29/461769129.db2.gz GPXPJNNKYMCQIE-HOCLYGCPSA-N 2 2 332.410 3.279 20 0 EGADLP c1c(C[NH2+]C[C@H]2CCCC[NH2+]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000666770145 461794996 /nfs/dbraw/zinc/79/49/96/461794996.db2.gz MQITUURGPCEWHP-LJQANCHMSA-N 2 2 347.466 3.166 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2-n2cncn2)cc1 ZINC000666785692 461801880 /nfs/dbraw/zinc/80/18/80/461801880.db2.gz YVQPNZURKALPJG-LJQANCHMSA-N 2 2 335.455 3.180 20 0 EGADLP Cc1nc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000663776559 461801895 /nfs/dbraw/zinc/80/18/95/461801895.db2.gz NLZJIMISPROTHV-NSHDSACASA-N 2 2 341.297 3.022 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3nc4ccccc4nc3C)cn21 ZINC000639288496 461845203 /nfs/dbraw/zinc/84/52/03/461845203.db2.gz DTQMZNNKJSFKEO-UHFFFAOYSA-N 2 2 331.423 3.227 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557379 461851729 /nfs/dbraw/zinc/85/17/29/461851729.db2.gz LVVJRXXQJOYKNX-SJLPKXTDSA-N 2 2 343.471 3.226 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557379 461851732 /nfs/dbraw/zinc/85/17/32/461851732.db2.gz LVVJRXXQJOYKNX-SJLPKXTDSA-N 2 2 343.471 3.226 20 0 EGADLP c1csc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)c1 ZINC000647848875 461858011 /nfs/dbraw/zinc/85/80/11/461858011.db2.gz XLWRHWSTOYOENM-HNNXBMFYSA-N 2 2 328.441 3.110 20 0 EGADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCC[NH3+] ZINC000647849487 461858168 /nfs/dbraw/zinc/85/81/68/461858168.db2.gz VJWPRWRTVFBKGX-SNVBAGLBSA-N 2 2 328.338 3.097 20 0 EGADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCC[NH3+] ZINC000647849487 461858175 /nfs/dbraw/zinc/85/81/75/461858175.db2.gz VJWPRWRTVFBKGX-SNVBAGLBSA-N 2 2 328.338 3.097 20 0 EGADLP Fc1cccc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)c1 ZINC000647860055 461861774 /nfs/dbraw/zinc/86/17/74/461861774.db2.gz MPXXAYXGTHPSSL-SFHVURJKSA-N 2 2 340.402 3.187 20 0 EGADLP Cc1ccc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)s1 ZINC000647867655 461864206 /nfs/dbraw/zinc/86/42/06/461864206.db2.gz QATRYNSIJPXFMN-INIZCTEOSA-N 2 2 342.468 3.418 20 0 EGADLP Cn1c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc2ccccc21 ZINC000656770587 461883036 /nfs/dbraw/zinc/88/30/36/461883036.db2.gz IIPRTXXIRWYFSD-GOSISDBHSA-N 2 2 349.482 3.326 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647924792 461889615 /nfs/dbraw/zinc/88/96/15/461889615.db2.gz KNXVAEYKCXRUFP-LJQANCHMSA-N 2 2 337.467 3.488 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936436 461893912 /nfs/dbraw/zinc/89/39/12/461893912.db2.gz DPEFWHCTTUGPOO-CKEIUWERSA-N 2 2 337.533 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936436 461893919 /nfs/dbraw/zinc/89/39/19/461893919.db2.gz DPEFWHCTTUGPOO-CKEIUWERSA-N 2 2 337.533 3.011 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936367 461894516 /nfs/dbraw/zinc/89/45/16/461894516.db2.gz CALSFXRGQAJBAP-PBEJRMEISA-N 2 2 343.515 3.093 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936367 461894523 /nfs/dbraw/zinc/89/45/23/461894523.db2.gz CALSFXRGQAJBAP-PBEJRMEISA-N 2 2 343.515 3.093 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993892 461902966 /nfs/dbraw/zinc/90/29/66/461902966.db2.gz RJFGUBARWSEPET-NSHDSACASA-N 2 2 327.241 3.353 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000639388403 461904785 /nfs/dbraw/zinc/90/47/85/461904785.db2.gz YZIIBPRRLPUPPR-LBRJOISOSA-N 2 2 342.405 3.256 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000639388403 461904790 /nfs/dbraw/zinc/90/47/90/461904790.db2.gz YZIIBPRRLPUPPR-LBRJOISOSA-N 2 2 342.405 3.256 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654855 461906043 /nfs/dbraw/zinc/90/60/43/461906043.db2.gz IJROGBNYFTVERJ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654855 461906049 /nfs/dbraw/zinc/90/60/49/461906049.db2.gz IJROGBNYFTVERJ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654855 461906054 /nfs/dbraw/zinc/90/60/54/461906054.db2.gz IJROGBNYFTVERJ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654855 461906059 /nfs/dbraw/zinc/90/60/59/461906059.db2.gz IJROGBNYFTVERJ-KSSFIOAISA-N 2 2 335.879 3.085 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661249 461911656 /nfs/dbraw/zinc/91/16/56/461911656.db2.gz BZDDNPXLFLXRTP-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661249 461911660 /nfs/dbraw/zinc/91/16/60/461911660.db2.gz BZDDNPXLFLXRTP-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661249 461911668 /nfs/dbraw/zinc/91/16/68/461911668.db2.gz BZDDNPXLFLXRTP-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000660661249 461911674 /nfs/dbraw/zinc/91/16/74/461911674.db2.gz BZDDNPXLFLXRTP-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672201 461918363 /nfs/dbraw/zinc/91/83/63/461918363.db2.gz AEXYTQGZVGJFSC-RHSMWYFYSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672201 461918369 /nfs/dbraw/zinc/91/83/69/461918369.db2.gz AEXYTQGZVGJFSC-RHSMWYFYSA-N 2 2 328.859 3.221 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC(CO)([NH2+]CC(C)C)CC3)cc2c1 ZINC000660696413 461928634 /nfs/dbraw/zinc/92/86/34/461928634.db2.gz OXVSUCQCFPGBSX-UHFFFAOYSA-N 2 2 341.499 3.116 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000644556012 461985225 /nfs/dbraw/zinc/98/52/25/461985225.db2.gz XUHUUEABDQKNLJ-NOLJZWGESA-N 2 2 339.361 3.369 20 0 EGADLP c1ccc2[nH+]c(CC3CC[NH+](CCOC[C@@H]4CCCO4)CC3)[nH]c2c1 ZINC000660854486 461997184 /nfs/dbraw/zinc/99/71/84/461997184.db2.gz XTBOKYUUIBNZCM-KRWDZBQOSA-N 2 2 343.471 3.013 20 0 EGADLP NC(=O)[C@H](c1ccccc1)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856111 461997574 /nfs/dbraw/zinc/99/75/74/461997574.db2.gz YGUUVPFGLOEKPQ-FQEVSTJZSA-N 2 2 348.450 3.044 20 0 EGADLP COc1cc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)on1 ZINC000660857396 461997985 /nfs/dbraw/zinc/99/79/85/461997985.db2.gz NAMBFJQABANFSW-UHFFFAOYSA-N 2 2 326.400 3.014 20 0 EGADLP CSc1cc(C)ccc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644588068 461999184 /nfs/dbraw/zinc/99/91/84/461999184.db2.gz GLJWHBWSORMNFH-LJQANCHMSA-N 2 2 344.524 3.299 20 0 EGADLP CSc1cc(C)ccc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644588068 461999193 /nfs/dbraw/zinc/99/91/93/461999193.db2.gz GLJWHBWSORMNFH-LJQANCHMSA-N 2 2 344.524 3.299 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000644625692 462014743 /nfs/dbraw/zinc/01/47/43/462014743.db2.gz IFABIIYGCVMNAO-QGZVFWFLSA-N 2 2 336.838 3.062 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC000644625692 462014747 /nfs/dbraw/zinc/01/47/47/462014747.db2.gz IFABIIYGCVMNAO-QGZVFWFLSA-N 2 2 336.838 3.062 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@@H](C)O1 ZINC000657294745 462023533 /nfs/dbraw/zinc/02/35/33/462023533.db2.gz DRGLMPPTPNCMQO-CHWSQXEVSA-N 2 2 346.393 3.016 20 0 EGADLP CC[C@H](C[NH2+]Cc1c(C2CC2)cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000657300305 462028899 /nfs/dbraw/zinc/02/88/99/462028899.db2.gz LFQJWFOFOAQODY-LJQANCHMSA-N 2 2 338.499 3.224 20 0 EGADLP CC[C@H](C[NH2+]Cc1c(C2CC2)cnn1C)[N@H+]1CCc2ccccc2C1 ZINC000657300305 462028903 /nfs/dbraw/zinc/02/89/03/462028903.db2.gz LFQJWFOFOAQODY-LJQANCHMSA-N 2 2 338.499 3.224 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccnc(OCc3ccccc3)c1)CCC2 ZINC000657310074 462035132 /nfs/dbraw/zinc/03/51/32/462035132.db2.gz KZNXCTOIQSQOLU-UHFFFAOYSA-N 2 2 334.423 3.093 20 0 EGADLP Brc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000657344981 462061180 /nfs/dbraw/zinc/06/11/80/462061180.db2.gz FYZSUYIKXMPPFM-UHFFFAOYSA-N 2 2 332.245 3.371 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000657362920 462071791 /nfs/dbraw/zinc/07/17/91/462071791.db2.gz CDLPFGSGAHCACE-UHFFFAOYSA-N 2 2 328.460 3.033 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657412188 462106575 /nfs/dbraw/zinc/10/65/75/462106575.db2.gz DOVUKGPXNZQSQY-HNNXBMFYSA-N 2 2 339.487 3.008 20 0 EGADLP C[C@@](CO)([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(Cl)cc(Cl)c1 ZINC000657484005 462150595 /nfs/dbraw/zinc/15/05/95/462150595.db2.gz ATIGZKFIESAYCQ-INIZCTEOSA-N 2 2 340.254 3.133 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H](CNc4cc(C)cc[nH+]4)C3)c2c1C ZINC000645147745 462202789 /nfs/dbraw/zinc/20/27/89/462202789.db2.gz SBKJEXWXGFQBJC-HNNXBMFYSA-N 2 2 336.443 3.217 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667670615 462203712 /nfs/dbraw/zinc/20/37/12/462203712.db2.gz VDJBJULQVZDYTP-LJQANCHMSA-N 2 2 348.441 3.276 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983298 462204896 /nfs/dbraw/zinc/20/48/96/462204896.db2.gz QXGLWOGMSLUPFM-FGTMMUONSA-N 2 2 335.536 3.115 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000639988028 462207316 /nfs/dbraw/zinc/20/73/16/462207316.db2.gz MKRISXPXTMBKSJ-KRWDZBQOSA-N 2 2 335.536 3.164 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000639987674 462207857 /nfs/dbraw/zinc/20/78/57/462207857.db2.gz MVRDKWNRFGMCSB-IBGZPJMESA-N 2 2 347.547 3.260 20 0 EGADLP Clc1cc2cccnc2c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750335 462249936 /nfs/dbraw/zinc/24/99/36/462249936.db2.gz HNZWCDYYCHZODP-SFHVURJKSA-N 2 2 345.874 3.231 20 0 EGADLP Clc1cccc2c1C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000657750753 462251936 /nfs/dbraw/zinc/25/19/36/462251936.db2.gz CGEONRJPSWVOLW-IAGOWNOFSA-N 2 2 334.891 3.040 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657794980 462269514 /nfs/dbraw/zinc/26/95/14/462269514.db2.gz AHXNJKOMAMRBDD-RHSMWYFYSA-N 2 2 344.421 3.157 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780440 462274467 /nfs/dbraw/zinc/27/44/67/462274467.db2.gz JDIFQOYQIZAQCB-ROUUACIJSA-N 2 2 335.536 3.044 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780440 462274473 /nfs/dbraw/zinc/27/44/73/462274473.db2.gz JDIFQOYQIZAQCB-ROUUACIJSA-N 2 2 335.536 3.044 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C[N@@H+]1C1CC1 ZINC000657802699 462274828 /nfs/dbraw/zinc/27/48/28/462274828.db2.gz FJWMQEUJTNXAOD-BSIFCXSSSA-N 2 2 344.499 3.097 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C[N@H+]1C1CC1 ZINC000657802699 462274835 /nfs/dbraw/zinc/27/48/35/462274835.db2.gz FJWMQEUJTNXAOD-BSIFCXSSSA-N 2 2 344.499 3.097 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812473 462279876 /nfs/dbraw/zinc/27/98/76/462279876.db2.gz DEBSJJMXYYHARG-AVRDEDQJSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812473 462279883 /nfs/dbraw/zinc/27/98/83/462279883.db2.gz DEBSJJMXYYHARG-AVRDEDQJSA-N 3 2 341.543 3.219 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000661642220 462344746 /nfs/dbraw/zinc/34/47/46/462344746.db2.gz CKEHUYDNIQBXAU-FQEVSTJZSA-N 2 2 334.467 3.083 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000661642220 462344750 /nfs/dbraw/zinc/34/47/50/462344750.db2.gz CKEHUYDNIQBXAU-FQEVSTJZSA-N 2 2 334.467 3.083 20 0 EGADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000651838284 462353945 /nfs/dbraw/zinc/35/39/45/462353945.db2.gz JWTXFUBPRRDHFH-PBHICJAKSA-N 2 2 339.443 3.143 20 0 EGADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000665253238 462370091 /nfs/dbraw/zinc/37/00/91/462370091.db2.gz LJNYTYCDWPOHGI-OHDICMOHSA-N 2 2 338.442 3.204 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000652140587 462447550 /nfs/dbraw/zinc/44/75/50/462447550.db2.gz VQCREWMKIJWIBF-OPYAIIAOSA-N 2 2 337.467 3.396 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccn2)cc1 ZINC000652140587 462447554 /nfs/dbraw/zinc/44/75/54/462447554.db2.gz VQCREWMKIJWIBF-OPYAIIAOSA-N 2 2 337.467 3.396 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141664 462448761 /nfs/dbraw/zinc/44/87/61/462448761.db2.gz WNTNDPQQMLQUCC-OXQOHEQNSA-N 2 2 325.456 3.111 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141664 462448764 /nfs/dbraw/zinc/44/87/64/462448764.db2.gz WNTNDPQQMLQUCC-OXQOHEQNSA-N 2 2 325.456 3.111 20 0 EGADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658292731 462460137 /nfs/dbraw/zinc/46/01/37/462460137.db2.gz AJNGKZKSPWYLQD-HKBOAZHASA-N 2 2 328.500 3.474 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000658292715 462460616 /nfs/dbraw/zinc/46/06/16/462460616.db2.gz ACKMNNMMBFQDTE-PKOBYXMFSA-N 2 2 332.488 3.298 20 0 EGADLP Clc1cc(Cl)c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cn2c1 ZINC000649408883 462502207 /nfs/dbraw/zinc/50/22/07/462502207.db2.gz BTWAFGSCENIZNF-UHFFFAOYSA-N 2 2 339.270 3.358 20 0 EGADLP Clc1cc(Cl)c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cn2c1 ZINC000649408883 462502211 /nfs/dbraw/zinc/50/22/11/462502211.db2.gz BTWAFGSCENIZNF-UHFFFAOYSA-N 2 2 339.270 3.358 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1csc(-c3ccsc3)n1)CCO2 ZINC000646104618 462518871 /nfs/dbraw/zinc/51/88/71/462518871.db2.gz SNLDRQQYEHLNFO-UHFFFAOYSA-N 2 2 349.525 3.168 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1csc(-c3ccsc3)n1)CCO2 ZINC000646104618 462518872 /nfs/dbraw/zinc/51/88/72/462518872.db2.gz SNLDRQQYEHLNFO-UHFFFAOYSA-N 2 2 349.525 3.168 20 0 EGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103887 462518935 /nfs/dbraw/zinc/51/89/35/462518935.db2.gz RVFVIPLXWZLCHN-CYBMUJFWSA-N 2 2 326.843 3.337 20 0 EGADLP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103887 462518936 /nfs/dbraw/zinc/51/89/36/462518936.db2.gz RVFVIPLXWZLCHN-CYBMUJFWSA-N 2 2 326.843 3.337 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000129700191 533802285 /nfs/dbraw/zinc/80/22/85/533802285.db2.gz XSFITTNRSNCZQQ-SWLSCSKDSA-N 2 2 333.457 3.123 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000129700191 533802295 /nfs/dbraw/zinc/80/22/95/533802295.db2.gz XSFITTNRSNCZQQ-SWLSCSKDSA-N 2 2 333.457 3.123 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)nc1 ZINC000181384519 533812927 /nfs/dbraw/zinc/81/29/27/533812927.db2.gz ZCLCZZCADHLNEN-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP C[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000179637999 533861497 /nfs/dbraw/zinc/86/14/97/533861497.db2.gz ANEHFWHCZSNUCV-UONOGXRCSA-N 2 2 325.294 3.436 20 0 EGADLP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000179637999 533861506 /nfs/dbraw/zinc/86/15/06/533861506.db2.gz ANEHFWHCZSNUCV-UONOGXRCSA-N 2 2 325.294 3.436 20 0 EGADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccsc1 ZINC000131688292 534426154 /nfs/dbraw/zinc/42/61/54/534426154.db2.gz RUQZSHCRKKHOTD-GOSISDBHSA-N 2 2 327.453 3.180 20 0 EGADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccsc1 ZINC000131688292 534426162 /nfs/dbraw/zinc/42/61/62/534426162.db2.gz RUQZSHCRKKHOTD-GOSISDBHSA-N 2 2 327.453 3.180 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000183546558 526403636 /nfs/dbraw/zinc/40/36/36/526403636.db2.gz SQVRPZWCMDUFPL-INIZCTEOSA-N 2 2 348.491 3.263 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436135 527848407 /nfs/dbraw/zinc/84/84/07/527848407.db2.gz PBHYLPKAWJARMD-LJQANCHMSA-N 2 2 326.488 3.095 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436135 527848412 /nfs/dbraw/zinc/84/84/12/527848412.db2.gz PBHYLPKAWJARMD-LJQANCHMSA-N 2 2 326.488 3.095 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436135 527848417 /nfs/dbraw/zinc/84/84/17/527848417.db2.gz PBHYLPKAWJARMD-LJQANCHMSA-N 2 2 326.488 3.095 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436135 527848420 /nfs/dbraw/zinc/84/84/20/527848420.db2.gz PBHYLPKAWJARMD-LJQANCHMSA-N 2 2 326.488 3.095 20 0 EGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000174179365 528256150 /nfs/dbraw/zinc/25/61/50/528256150.db2.gz VNLLQDRNMFBOJY-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186828747 528418275 /nfs/dbraw/zinc/41/82/75/528418275.db2.gz QPPGQNCONNKELC-PMACEKPBSA-N 2 2 331.504 3.229 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c(Cl)nc21 ZINC000179631918 528662930 /nfs/dbraw/zinc/66/29/30/528662930.db2.gz RZXARPYQMMRDLF-CYBMUJFWSA-N 2 2 335.883 3.049 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c(Cl)nc21 ZINC000179631918 528662934 /nfs/dbraw/zinc/66/29/34/528662934.db2.gz RZXARPYQMMRDLF-CYBMUJFWSA-N 2 2 335.883 3.049 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000191479226 528864315 /nfs/dbraw/zinc/86/43/15/528864315.db2.gz KIRGUDOWCGOPNB-UHFFFAOYSA-N 2 2 348.878 3.450 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000191479226 528864318 /nfs/dbraw/zinc/86/43/18/528864318.db2.gz KIRGUDOWCGOPNB-UHFFFAOYSA-N 2 2 348.878 3.450 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@H]3c3[nH]cc[nH+]3)sc2C1 ZINC000346222471 535250861 /nfs/dbraw/zinc/25/08/61/535250861.db2.gz STUJGAFPANUKIA-HNNXBMFYSA-N 2 2 345.516 3.360 20 0 EGADLP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@H]3c3[nH]cc[nH+]3)sc2C1 ZINC000346222471 535250865 /nfs/dbraw/zinc/25/08/65/535250865.db2.gz STUJGAFPANUKIA-HNNXBMFYSA-N 2 2 345.516 3.360 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000342820122 535253152 /nfs/dbraw/zinc/25/31/52/535253152.db2.gz FYNLWSUISRIOSC-HZPDHXFCSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000342820122 535253158 /nfs/dbraw/zinc/25/31/58/535253158.db2.gz FYNLWSUISRIOSC-HZPDHXFCSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000342820122 535253162 /nfs/dbraw/zinc/25/31/62/535253162.db2.gz FYNLWSUISRIOSC-HZPDHXFCSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000342820122 535253170 /nfs/dbraw/zinc/25/31/70/535253170.db2.gz FYNLWSUISRIOSC-HZPDHXFCSA-N 2 2 335.517 3.053 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353334399 535593220 /nfs/dbraw/zinc/59/32/20/535593220.db2.gz YQTAZMHDWJEDBA-NVXWUHKLSA-N 2 2 343.475 3.356 20 0 EGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCCCC[NH3+] ZINC000262672369 535702728 /nfs/dbraw/zinc/70/27/28/535702728.db2.gz PGXJFWWCSHICRB-UHFFFAOYSA-N 2 2 346.519 3.056 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000090187087 546653664 /nfs/dbraw/zinc/65/36/64/546653664.db2.gz SDVHOLIVEMSDMY-VQTJNVASSA-N 2 2 346.515 3.072 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000090187087 546653667 /nfs/dbraw/zinc/65/36/67/546653667.db2.gz SDVHOLIVEMSDMY-VQTJNVASSA-N 2 2 346.515 3.072 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+][C@@H](c2cnn(C)c2)c2ccccc2)CC1 ZINC000273141741 547348582 /nfs/dbraw/zinc/34/85/82/547348582.db2.gz FEEBSSKETHGAJS-HXUWFJFHSA-N 2 2 326.488 3.220 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072290 547569488 /nfs/dbraw/zinc/56/94/88/547569488.db2.gz WCEIEVVERXXTSA-RTWAWAEBSA-N 3 2 327.516 3.176 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072290 547569494 /nfs/dbraw/zinc/56/94/94/547569494.db2.gz WCEIEVVERXXTSA-RTWAWAEBSA-N 3 2 327.516 3.176 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3scnc3C3CC3)[nH+]c2)C1 ZINC000362626896 547771952 /nfs/dbraw/zinc/77/19/52/547771952.db2.gz KDKQVAXMFDKRNW-HNNXBMFYSA-N 2 2 343.500 3.168 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415029350 547862745 /nfs/dbraw/zinc/86/27/45/547862745.db2.gz AURIYAWRDNEPOF-CQSZACIVSA-N 2 2 334.261 3.227 20 0 EGADLP Cn1cc[nH+]c1-c1ccc(-c2ccc(CN3CC[NH2+]CC3)s2)cc1 ZINC000630052522 548138384 /nfs/dbraw/zinc/13/83/84/548138384.db2.gz LPHVOIKEIVWCES-UHFFFAOYSA-N 2 2 338.480 3.221 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000675898006 549000254 /nfs/dbraw/zinc/00/02/54/549000254.db2.gz CFHXJSHPJQIVTF-UWJYYQICSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000675898006 549000255 /nfs/dbraw/zinc/00/02/55/549000255.db2.gz CFHXJSHPJQIVTF-UWJYYQICSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc2)c1 ZINC000676907523 549176851 /nfs/dbraw/zinc/17/68/51/549176851.db2.gz IECDYLXQUVCDCP-OAQYLSRUSA-N 2 2 326.484 3.373 20 0 EGADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc2)c1 ZINC000676907522 549177033 /nfs/dbraw/zinc/17/70/33/549177033.db2.gz IECDYLXQUVCDCP-NRFANRHFSA-N 2 2 326.484 3.373 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479648 549277952 /nfs/dbraw/zinc/27/79/52/549277952.db2.gz LDTRPGJODKJMEZ-MAUKXSAKSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479648 549277956 /nfs/dbraw/zinc/27/79/56/549277956.db2.gz LDTRPGJODKJMEZ-MAUKXSAKSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479648 549277961 /nfs/dbraw/zinc/27/79/61/549277961.db2.gz LDTRPGJODKJMEZ-MAUKXSAKSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)[nH]c1C ZINC000677479648 549277964 /nfs/dbraw/zinc/27/79/64/549277964.db2.gz LDTRPGJODKJMEZ-MAUKXSAKSA-N 2 2 346.519 3.050 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234475 549436399 /nfs/dbraw/zinc/43/63/99/549436399.db2.gz GCIRZQRRANKFGZ-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234475 549436401 /nfs/dbraw/zinc/43/64/01/549436401.db2.gz GCIRZQRRANKFGZ-AWEZNQCLSA-N 2 2 337.370 3.330 20 0 EGADLP CCCCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678258865 549448778 /nfs/dbraw/zinc/44/87/78/549448778.db2.gz QDBWMMXRKRFABH-HXUWFJFHSA-N 2 2 345.531 3.077 20 0 EGADLP CCCCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678258865 549448780 /nfs/dbraw/zinc/44/87/80/549448780.db2.gz QDBWMMXRKRFABH-HXUWFJFHSA-N 2 2 345.531 3.077 20 0 EGADLP CC(C)Oc1ccccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719817 549547444 /nfs/dbraw/zinc/54/74/44/549547444.db2.gz OTDGRAXCIYMPRB-HXUWFJFHSA-N 2 2 345.531 3.074 20 0 EGADLP CC(C)Oc1ccccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719817 549547449 /nfs/dbraw/zinc/54/74/49/549547449.db2.gz OTDGRAXCIYMPRB-HXUWFJFHSA-N 2 2 345.531 3.074 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000680260321 549840758 /nfs/dbraw/zinc/84/07/58/549840758.db2.gz UFIBJCLUNDKUGV-GOSISDBHSA-N 2 2 326.444 3.169 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000683474515 550232753 /nfs/dbraw/zinc/23/27/53/550232753.db2.gz LJSRYEHBWRXTCW-CNDZOEFASA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000683474515 550232754 /nfs/dbraw/zinc/23/27/54/550232754.db2.gz LJSRYEHBWRXTCW-CNDZOEFASA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020232 550282490 /nfs/dbraw/zinc/28/24/90/550282490.db2.gz GNKGMKUFALMCHP-HDICACEKSA-N 2 2 340.515 3.158 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020232 550282493 /nfs/dbraw/zinc/28/24/93/550282493.db2.gz GNKGMKUFALMCHP-HDICACEKSA-N 2 2 340.515 3.158 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000684620319 550349436 /nfs/dbraw/zinc/34/94/36/550349436.db2.gz FYKXWBAXOWIWJW-UHFFFAOYSA-N 2 2 337.471 3.348 20 0 EGADLP C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000684677757 550354755 /nfs/dbraw/zinc/35/47/55/550354755.db2.gz HBQJAIAJFBNFJO-PBHICJAKSA-N 2 2 337.895 3.067 20 0 EGADLP C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000684677757 550354756 /nfs/dbraw/zinc/35/47/56/550354756.db2.gz HBQJAIAJFBNFJO-PBHICJAKSA-N 2 2 337.895 3.067 20 0 EGADLP c1cnc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000684953553 550387817 /nfs/dbraw/zinc/38/78/17/550387817.db2.gz OGHDODHYTGTJAR-HXUWFJFHSA-N 2 2 337.467 3.081 20 0 EGADLP c1cn(-c2cc(NCC[NH+]3CCC4(CCCCC4)CC3)ncn2)c[nH+]1 ZINC000685039445 550395452 /nfs/dbraw/zinc/39/54/52/550395452.db2.gz MDDKWZWBILYUFT-UHFFFAOYSA-N 2 2 340.475 3.121 20 0 EGADLP CC[N@H+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)c1ccccc1 ZINC000685326825 550411571 /nfs/dbraw/zinc/41/15/71/550411571.db2.gz IPVMPWMZEGITOB-HQSKLWIPSA-N 2 2 340.471 3.451 20 0 EGADLP CC[N@@H+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1)c1ccccc1 ZINC000685326825 550411573 /nfs/dbraw/zinc/41/15/73/550411573.db2.gz IPVMPWMZEGITOB-HQSKLWIPSA-N 2 2 340.471 3.451 20 0 EGADLP CC[NH+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000685326825 550411575 /nfs/dbraw/zinc/41/15/75/550411575.db2.gz IPVMPWMZEGITOB-HQSKLWIPSA-N 2 2 340.471 3.451 20 0 EGADLP CC[NH+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685326825 550411577 /nfs/dbraw/zinc/41/15/77/550411577.db2.gz IPVMPWMZEGITOB-HQSKLWIPSA-N 2 2 340.471 3.451 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000685412625 550413877 /nfs/dbraw/zinc/41/38/77/550413877.db2.gz ILJFHVZEYFTMPX-KRWDZBQOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000685412625 550413878 /nfs/dbraw/zinc/41/38/78/550413878.db2.gz ILJFHVZEYFTMPX-KRWDZBQOSA-N 2 2 338.879 3.035 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CN(Cc1c[nH+]c2ccccn12)Cc1ccncc1 ZINC000685455037 550418366 /nfs/dbraw/zinc/41/83/66/550418366.db2.gz ZEUJICSGEUZWDX-IBGZPJMESA-N 2 2 349.482 3.216 20 0 EGADLP CC[N@H+]1CCC[C@H]1CN(Cc1c[nH+]c2ccccn12)Cc1ccncc1 ZINC000685455037 550418369 /nfs/dbraw/zinc/41/83/69/550418369.db2.gz ZEUJICSGEUZWDX-IBGZPJMESA-N 2 2 349.482 3.216 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470717 550421506 /nfs/dbraw/zinc/42/15/06/550421506.db2.gz KZMJEGIVSIXNND-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470717 550421508 /nfs/dbraw/zinc/42/15/08/550421508.db2.gz KZMJEGIVSIXNND-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470717 550421509 /nfs/dbraw/zinc/42/15/09/550421509.db2.gz KZMJEGIVSIXNND-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470717 550421511 /nfs/dbraw/zinc/42/15/11/550421511.db2.gz KZMJEGIVSIXNND-VQIMIIECSA-N 2 2 344.890 3.442 20 0 EGADLP Oc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(C(F)(F)F)c1 ZINC000685835867 550446724 /nfs/dbraw/zinc/44/67/24/550446724.db2.gz FMNJMKRSHQMKIW-AWEZNQCLSA-N 2 2 325.334 3.445 20 0 EGADLP Oc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc(C(F)(F)F)c1 ZINC000685835867 550446726 /nfs/dbraw/zinc/44/67/26/550446726.db2.gz FMNJMKRSHQMKIW-AWEZNQCLSA-N 2 2 325.334 3.445 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCC[NH+](C)C)n2)C1 ZINC000729283231 574835300 /nfs/dbraw/zinc/83/53/00/574835300.db2.gz DOMIZCHTTLIICK-CQSZACIVSA-N 2 2 338.521 3.045 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCC[NH+](C)C)n2)C1 ZINC000729283231 574835301 /nfs/dbraw/zinc/83/53/01/574835301.db2.gz DOMIZCHTTLIICK-CQSZACIVSA-N 2 2 338.521 3.045 20 0 EGADLP C[C@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)[NH+]1CCCCC1 ZINC000732958708 575298211 /nfs/dbraw/zinc/29/82/11/575298211.db2.gz USIZSFPOVFTNDU-MRXNPFEDSA-N 2 2 339.439 3.478 20 0 EGADLP C[NH+](C)[C@@H](CNc1nc(N2CCCC2)cc[nH+]1)c1ccccc1Cl ZINC000733185912 575317921 /nfs/dbraw/zinc/31/79/21/575317921.db2.gz ZZJBARWJKJCJIC-INIZCTEOSA-N 2 2 345.878 3.445 20 0 EGADLP COc1cccc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)oc21 ZINC000733330855 575328644 /nfs/dbraw/zinc/32/86/44/575328644.db2.gz QHRFTKPOHUCBRP-QGZVFWFLSA-N 2 2 344.455 3.174 20 0 EGADLP Cn1c2ccccc2n(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738160613 576295137 /nfs/dbraw/zinc/29/51/37/576295137.db2.gz XRIACYXAVPQFSK-AWEZNQCLSA-N 2 2 327.457 3.200 20 0 EGADLP Cn1c2ccccc2n(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738160613 576295140 /nfs/dbraw/zinc/29/51/40/576295140.db2.gz XRIACYXAVPQFSK-AWEZNQCLSA-N 2 2 327.457 3.200 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883966 576633125 /nfs/dbraw/zinc/63/31/25/576633125.db2.gz RAZULMPCMOVQRR-XJKSGUPXSA-N 2 2 344.455 3.112 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883966 576633127 /nfs/dbraw/zinc/63/31/27/576633127.db2.gz RAZULMPCMOVQRR-XJKSGUPXSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883966 576633130 /nfs/dbraw/zinc/63/31/30/576633130.db2.gz RAZULMPCMOVQRR-XJKSGUPXSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883966 576633132 /nfs/dbraw/zinc/63/31/32/576633132.db2.gz RAZULMPCMOVQRR-XJKSGUPXSA-N 2 2 344.455 3.112 20 0 EGADLP CN(C)c1ccc([NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000742417309 576781994 /nfs/dbraw/zinc/78/19/94/576781994.db2.gz MBWLWDSYLVHBKT-UHFFFAOYSA-N 2 2 336.443 3.105 20 0 EGADLP C[NH+](C)c1ccc(N2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000742417309 576781995 /nfs/dbraw/zinc/78/19/95/576781995.db2.gz MBWLWDSYLVHBKT-UHFFFAOYSA-N 2 2 336.443 3.105 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F)C(C)C ZINC000824585091 609338780 /nfs/dbraw/zinc/33/87/80/609338780.db2.gz NKUCQQRPYMMVOQ-CQSZACIVSA-N 2 2 348.470 3.165 20 0 EGADLP c1cnn(Cc2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000028817247 1291315514 /nfs/dbraw/zinc/31/55/14/1291315514.db2.gz FLPRAHIUGWKLGH-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1Cl ZINC000045858399 1291519044 /nfs/dbraw/zinc/51/90/44/1291519044.db2.gz REAGIDSPVSSZCO-WMLDXEAASA-N 2 2 348.878 3.297 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1OC ZINC000063319830 1292006914 /nfs/dbraw/zinc/00/69/14/1292006914.db2.gz XKVLTNXYDKMDDG-UHFFFAOYSA-N 2 2 332.488 3.448 20 0 EGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(F)ccc3F)cc2)CC1 ZINC000069785367 1292251870 /nfs/dbraw/zinc/25/18/70/1292251870.db2.gz PWGYCCSJUUFPSB-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)ccc3F)cc2)CC1 ZINC000069785367 1292251882 /nfs/dbraw/zinc/25/18/82/1292251882.db2.gz PWGYCCSJUUFPSB-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP COc1ccc2c(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000072725009 1292289185 /nfs/dbraw/zinc/28/91/85/1292289185.db2.gz RCPKFJBIUKCAIZ-MRXNPFEDSA-N 2 2 344.455 3.108 20 0 EGADLP COc1ccc2c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000072725009 1292289189 /nfs/dbraw/zinc/28/91/89/1292289189.db2.gz RCPKFJBIUKCAIZ-MRXNPFEDSA-N 2 2 344.455 3.108 20 0 EGADLP COc1ccc2c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cc(=O)oc2c1 ZINC000072725009 1292289198 /nfs/dbraw/zinc/28/91/98/1292289198.db2.gz RCPKFJBIUKCAIZ-MRXNPFEDSA-N 2 2 344.455 3.108 20 0 EGADLP COc1ccc2c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cc(=O)oc2c1 ZINC000072725009 1292289203 /nfs/dbraw/zinc/28/92/03/1292289203.db2.gz RCPKFJBIUKCAIZ-MRXNPFEDSA-N 2 2 344.455 3.108 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114772286 1293177363 /nfs/dbraw/zinc/17/73/63/1293177363.db2.gz UDYNWIIJCHRQQB-FQEVSTJZSA-N 2 2 347.466 3.226 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114772286 1293177367 /nfs/dbraw/zinc/17/73/67/1293177367.db2.gz UDYNWIIJCHRQQB-FQEVSTJZSA-N 2 2 347.466 3.226 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC000130985863 1293675251 /nfs/dbraw/zinc/67/52/51/1293675251.db2.gz DZQQUUSXHQUQLM-OAHLLOKOSA-N 2 2 335.455 3.273 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc3ccccn23)CC1 ZINC000131180089 1293681506 /nfs/dbraw/zinc/68/15/06/1293681506.db2.gz GGFGEDPIFQMXSO-MRXNPFEDSA-N 2 2 335.455 3.045 20 0 EGADLP CCC[C@@H](CCO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000152490221 1293970777 /nfs/dbraw/zinc/97/07/77/1293970777.db2.gz JGGLKUMXCMEQDN-KRWDZBQOSA-N 2 2 333.520 3.110 20 0 EGADLP CN(C)c1ncccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000154771091 1294068957 /nfs/dbraw/zinc/06/89/57/1294068957.db2.gz YTOYOYIWYGOMNL-UHFFFAOYSA-N 2 2 330.520 3.282 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000174030587 1294477045 /nfs/dbraw/zinc/47/70/45/1294477045.db2.gz ZGCLLUFGZKNOMG-UHFFFAOYSA-N 2 2 339.524 3.288 20 0 EGADLP CCOc1cccc(C[NH2+]C2CC[NH+](CC)CC2)c1OC(F)F ZINC000236921667 1296211785 /nfs/dbraw/zinc/21/17/85/1296211785.db2.gz TYYXXCIRPXGQES-UHFFFAOYSA-N 2 2 328.403 3.261 20 0 EGADLP C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237697695 1296257719 /nfs/dbraw/zinc/25/77/19/1296257719.db2.gz GGUUUDWEUBFIBW-HKUYNNGSSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@H]1[NH3+] ZINC000252780920 1296462246 /nfs/dbraw/zinc/46/22/46/1296462246.db2.gz TZQGNSPAGZMXKU-XHDPSFHLSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(Br)c3cccnc23)CC[C@H]1[NH3+] ZINC000252780920 1296462251 /nfs/dbraw/zinc/46/22/51/1296462251.db2.gz TZQGNSPAGZMXKU-XHDPSFHLSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)ccc1F ZINC000872058478 1296706226 /nfs/dbraw/zinc/70/62/26/1296706226.db2.gz VIIGFWIEKSZFDC-DZGCQCFKSA-N 2 2 344.434 3.240 20 0 EGADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000301708272 1296793279 /nfs/dbraw/zinc/79/32/79/1296793279.db2.gz MNAUQHPBCGTIRI-IKGGRYGDSA-N 2 2 341.540 3.484 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303032165 1296814111 /nfs/dbraw/zinc/81/41/11/1296814111.db2.gz ALWSYLWFDLELDQ-IFXJQAMLSA-N 2 2 325.387 3.396 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376427176 1297517830 /nfs/dbraw/zinc/51/78/30/1297517830.db2.gz NUUKGKPGTFPPGE-KGLIPLIRSA-N 2 2 346.862 3.280 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376427176 1297517838 /nfs/dbraw/zinc/51/78/38/1297517838.db2.gz NUUKGKPGTFPPGE-KGLIPLIRSA-N 2 2 346.862 3.280 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398025247 1297712164 /nfs/dbraw/zinc/71/21/64/1297712164.db2.gz LSHPSJUURWYASQ-KDOFPFPSSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398025247 1297712168 /nfs/dbraw/zinc/71/21/68/1297712168.db2.gz LSHPSJUURWYASQ-KDOFPFPSSA-N 2 2 346.906 3.382 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874886 1298153585 /nfs/dbraw/zinc/15/35/85/1298153585.db2.gz AGOORHFJNLJOCP-HRCADAONSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000693874886 1298153590 /nfs/dbraw/zinc/15/35/90/1298153590.db2.gz AGOORHFJNLJOCP-HRCADAONSA-N 2 2 339.524 3.237 20 0 EGADLP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073075 1298174399 /nfs/dbraw/zinc/17/43/99/1298174399.db2.gz TXKAAMMGOPWZPO-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073075 1298174407 /nfs/dbraw/zinc/17/44/07/1298174407.db2.gz TXKAAMMGOPWZPO-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876619585 1298874862 /nfs/dbraw/zinc/87/48/62/1298874862.db2.gz CABBQKMTOPBJCF-AWEZNQCLSA-N 2 2 336.480 3.140 20 0 EGADLP CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876619585 1298874874 /nfs/dbraw/zinc/87/48/74/1298874874.db2.gz CABBQKMTOPBJCF-AWEZNQCLSA-N 2 2 336.480 3.140 20 0 EGADLP CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000876651266 1298897655 /nfs/dbraw/zinc/89/76/55/1298897655.db2.gz UBNWJZIWVVQWBH-UHFFFAOYSA-N 2 2 348.491 3.215 20 0 EGADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1nc(Cl)cs1 ZINC000876986701 1299101018 /nfs/dbraw/zinc/10/10/18/1299101018.db2.gz JQYIAZDGLWPHFY-UHFFFAOYSA-N 2 2 325.865 3.027 20 0 EGADLP Cn1ccc(C[NH2+]C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000877124973 1299169027 /nfs/dbraw/zinc/16/90/27/1299169027.db2.gz GFKJATSNUVFORH-OAQYLSRUSA-N 2 2 340.515 3.448 20 0 EGADLP Cn1ccc(C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000877124973 1299169035 /nfs/dbraw/zinc/16/90/35/1299169035.db2.gz GFKJATSNUVFORH-OAQYLSRUSA-N 2 2 340.515 3.448 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743341 1299521007 /nfs/dbraw/zinc/52/10/07/1299521007.db2.gz JUZDAGKPUQABFV-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743341 1299521014 /nfs/dbraw/zinc/52/10/14/1299521014.db2.gz JUZDAGKPUQABFV-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC(F)F ZINC000877743341 1299521022 /nfs/dbraw/zinc/52/10/22/1299521022.db2.gz JUZDAGKPUQABFV-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC(F)F ZINC000877743341 1299521028 /nfs/dbraw/zinc/52/10/28/1299521028.db2.gz JUZDAGKPUQABFV-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878126188 1299763808 /nfs/dbraw/zinc/76/38/08/1299763808.db2.gz UKUOWFIBVVSTET-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878126188 1299763817 /nfs/dbraw/zinc/76/38/17/1299763817.db2.gz UKUOWFIBVVSTET-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126188 1299763822 /nfs/dbraw/zinc/76/38/22/1299763822.db2.gz UKUOWFIBVVSTET-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126188 1299763826 /nfs/dbraw/zinc/76/38/26/1299763826.db2.gz UKUOWFIBVVSTET-MJGOQNOKSA-N 2 2 331.504 3.010 20 0 EGADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201184 1300981295 /nfs/dbraw/zinc/98/12/95/1300981295.db2.gz HJTSZRFKWWGBOZ-QFBILLFUSA-N 2 2 332.488 3.032 20 0 EGADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201184 1300981301 /nfs/dbraw/zinc/98/13/01/1300981301.db2.gz HJTSZRFKWWGBOZ-QFBILLFUSA-N 2 2 332.488 3.032 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880250260 1301002841 /nfs/dbraw/zinc/00/28/41/1301002841.db2.gz JHONHURGHQILTO-SFHVURJKSA-N 2 2 326.488 3.351 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000880250260 1301002850 /nfs/dbraw/zinc/00/28/50/1301002850.db2.gz JHONHURGHQILTO-SFHVURJKSA-N 2 2 326.488 3.351 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880278328 1301019404 /nfs/dbraw/zinc/01/94/04/1301019404.db2.gz YOGLPEIMEXNJJS-KRWDZBQOSA-N 2 2 335.455 3.232 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880278328 1301019417 /nfs/dbraw/zinc/01/94/17/1301019417.db2.gz YOGLPEIMEXNJJS-KRWDZBQOSA-N 2 2 335.455 3.232 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000765675120 1302303628 /nfs/dbraw/zinc/30/36/28/1302303628.db2.gz GZMCUVRPZSZZNY-NQIIRXRSSA-N 2 2 343.515 3.269 20 0 EGADLP Fc1cc(C[NH2+]CC2CCC3(CC2)OCCO3)ccc1-n1cc[nH+]c1 ZINC000766222494 1302412075 /nfs/dbraw/zinc/41/20/75/1302412075.db2.gz HIMRVGQPSWSSGA-UHFFFAOYSA-N 2 2 345.418 3.034 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)[C@H]1C ZINC000883388609 1302427968 /nfs/dbraw/zinc/42/79/68/1302427968.db2.gz YQYLWOZHYCAFJC-WNHJNPCNSA-N 2 2 341.455 3.192 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 ZINC000883416577 1302437962 /nfs/dbraw/zinc/43/79/62/1302437962.db2.gz YOFLNRPKEOKVST-UHFFFAOYSA-N 2 2 341.242 3.214 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414028 1302666020 /nfs/dbraw/zinc/66/60/20/1302666020.db2.gz DTVIWPZRMCGIDB-VQTJNVASSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414028 1302666030 /nfs/dbraw/zinc/66/60/30/1302666030.db2.gz DTVIWPZRMCGIDB-VQTJNVASSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414028 1302666040 /nfs/dbraw/zinc/66/60/40/1302666040.db2.gz DTVIWPZRMCGIDB-VQTJNVASSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414028 1302666052 /nfs/dbraw/zinc/66/60/52/1302666052.db2.gz DTVIWPZRMCGIDB-VQTJNVASSA-N 2 2 326.484 3.342 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388785 1303397603 /nfs/dbraw/zinc/39/76/03/1303397603.db2.gz JYXVLPIPCRRAPL-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388785 1303397607 /nfs/dbraw/zinc/39/76/07/1303397607.db2.gz JYXVLPIPCRRAPL-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C)cc3F)CC2)[nH+]c1C ZINC000886667587 1303547334 /nfs/dbraw/zinc/54/73/34/1303547334.db2.gz DDYAZPZHKCJXLP-UHFFFAOYSA-N 2 2 344.434 3.292 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000886873968 1303621037 /nfs/dbraw/zinc/62/10/37/1303621037.db2.gz CNCKITHAXPHROE-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000886873968 1303621041 /nfs/dbraw/zinc/62/10/41/1303621041.db2.gz CNCKITHAXPHROE-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000886873967 1303621222 /nfs/dbraw/zinc/62/12/22/1303621222.db2.gz CNCKITHAXPHROE-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000886873967 1303621228 /nfs/dbraw/zinc/62/12/28/1303621228.db2.gz CNCKITHAXPHROE-PXNSSMCTSA-N 2 2 329.488 3.096 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874300 1303622653 /nfs/dbraw/zinc/62/26/53/1303622653.db2.gz LBMNFCCQTVJNDI-UZLBHIALSA-N 2 2 329.488 3.042 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874300 1303622660 /nfs/dbraw/zinc/62/26/60/1303622660.db2.gz LBMNFCCQTVJNDI-UZLBHIALSA-N 2 2 329.488 3.042 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130359 1303685144 /nfs/dbraw/zinc/68/51/44/1303685144.db2.gz BWSBUUSDSFDTJG-HZPDHXFCSA-N 2 2 349.438 3.403 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130359 1303685149 /nfs/dbraw/zinc/68/51/49/1303685149.db2.gz BWSBUUSDSFDTJG-HZPDHXFCSA-N 2 2 349.438 3.403 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(Cl)cn2)cn1 ZINC000775493505 1303973402 /nfs/dbraw/zinc/97/34/02/1303973402.db2.gz UMFBETUBTPKQGK-GFCCVEGCSA-N 2 2 327.819 3.475 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000775622372 1303997257 /nfs/dbraw/zinc/99/72/57/1303997257.db2.gz BGEJZKHLQKLGRO-NCOADZHNSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000775622372 1303997262 /nfs/dbraw/zinc/99/72/62/1303997262.db2.gz BGEJZKHLQKLGRO-NCOADZHNSA-N 2 2 339.524 3.142 20 0 EGADLP CC[C@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1)C1CCOCC1 ZINC000776805262 1304202178 /nfs/dbraw/zinc/20/21/78/1304202178.db2.gz MDHHLHFVUIVIIG-FQEVSTJZSA-N 2 2 331.504 3.446 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000777745054 1304342700 /nfs/dbraw/zinc/34/27/00/1304342700.db2.gz SXBOGKIHLLUVII-GOSISDBHSA-N 2 2 343.471 3.329 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574129 1304469114 /nfs/dbraw/zinc/46/91/14/1304469114.db2.gz VOWIITXWYSBIEU-MSOLQXFVSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000778574129 1304469120 /nfs/dbraw/zinc/46/91/20/1304469120.db2.gz VOWIITXWYSBIEU-MSOLQXFVSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000779018125 1304518651 /nfs/dbraw/zinc/51/86/51/1304518651.db2.gz YRQSUXPBMLQLHU-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000779018125 1304518658 /nfs/dbraw/zinc/51/86/58/1304518658.db2.gz YRQSUXPBMLQLHU-IXDOHACOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779071981 1304526138 /nfs/dbraw/zinc/52/61/38/1304526138.db2.gz HTZUSDMRGXQSHL-IKGGRYGDSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000779071981 1304526145 /nfs/dbraw/zinc/52/61/45/1304526145.db2.gz HTZUSDMRGXQSHL-IKGGRYGDSA-N 2 2 339.524 3.144 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC000780745335 1304733502 /nfs/dbraw/zinc/73/35/02/1304733502.db2.gz IKNNJVUQQOFXLZ-UHFFFAOYSA-N 3 2 344.547 3.043 20 0 EGADLP Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000891567510 1305093204 /nfs/dbraw/zinc/09/32/04/1305093204.db2.gz JVNXJZUJPHEIAP-ROUUACIJSA-N 2 2 342.487 3.434 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823725 1305179114 /nfs/dbraw/zinc/17/91/14/1305179114.db2.gz ZZTPPGIPFJBWSH-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823725 1305179117 /nfs/dbraw/zinc/17/91/17/1305179117.db2.gz ZZTPPGIPFJBWSH-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823725 1305179121 /nfs/dbraw/zinc/17/91/21/1305179121.db2.gz ZZTPPGIPFJBWSH-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823725 1305179128 /nfs/dbraw/zinc/17/91/28/1305179128.db2.gz ZZTPPGIPFJBWSH-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228241 1305286995 /nfs/dbraw/zinc/28/69/95/1305286995.db2.gz NPULKAGJFUQVPA-DGCLKSJQSA-N 2 2 333.423 3.164 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228241 1305287001 /nfs/dbraw/zinc/28/70/01/1305287001.db2.gz NPULKAGJFUQVPA-DGCLKSJQSA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228241 1305287004 /nfs/dbraw/zinc/28/70/04/1305287004.db2.gz NPULKAGJFUQVPA-DGCLKSJQSA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228241 1305287008 /nfs/dbraw/zinc/28/70/08/1305287008.db2.gz NPULKAGJFUQVPA-DGCLKSJQSA-N 2 2 333.423 3.164 20 0 EGADLP COc1cccc(-c2csc(C[NH2+][C@H](C)Cn3cc[nH+]c3)n2)c1 ZINC000892567790 1305444642 /nfs/dbraw/zinc/44/46/42/1305444642.db2.gz VYWCYVAMFAKGFN-CYBMUJFWSA-N 2 2 328.441 3.194 20 0 EGADLP FC(F)(F)Cc1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000892624423 1305477338 /nfs/dbraw/zinc/47/73/38/1305477338.db2.gz SMNXHMJIOAPMEO-UHFFFAOYSA-N 2 2 333.423 3.212 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607826 1305980806 /nfs/dbraw/zinc/98/08/06/1305980806.db2.gz DDFUFIYTNUBHIY-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788607826 1305980811 /nfs/dbraw/zinc/98/08/11/1305980811.db2.gz DDFUFIYTNUBHIY-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP Oc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000894113396 1306226129 /nfs/dbraw/zinc/22/61/29/1306226129.db2.gz NQBHVSWNQNNSQB-UHFFFAOYSA-N 2 2 329.419 3.444 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000790680283 1308853185 /nfs/dbraw/zinc/85/31/85/1308853185.db2.gz QGBHYBHTDMDHRT-KGLIPLIRSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000790680283 1308853193 /nfs/dbraw/zinc/85/31/93/1308853193.db2.gz QGBHYBHTDMDHRT-KGLIPLIRSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cc[nH]c(=O)c1 ZINC000791138447 1308928216 /nfs/dbraw/zinc/92/82/16/1308928216.db2.gz WAPMXJSWMOQFNK-HUUCEWRRSA-N 2 2 326.444 3.058 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@@H+]1C ZINC000796310706 1309962052 /nfs/dbraw/zinc/96/20/52/1309962052.db2.gz BUPMIUZVKYLVQZ-JQWIXIFHSA-N 2 2 327.259 3.213 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)CC[N@H+]1C ZINC000796310706 1309962057 /nfs/dbraw/zinc/96/20/57/1309962057.db2.gz BUPMIUZVKYLVQZ-JQWIXIFHSA-N 2 2 327.259 3.213 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577982 1319401817 /nfs/dbraw/zinc/40/18/17/1319401817.db2.gz PQZBPRGYUAGZQM-MFKMUULPSA-N 2 2 344.322 3.288 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817577982 1319401824 /nfs/dbraw/zinc/40/18/24/1319401824.db2.gz PQZBPRGYUAGZQM-MFKMUULPSA-N 2 2 344.322 3.288 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330743 1310293501 /nfs/dbraw/zinc/29/35/01/1310293501.db2.gz GBEMPNNWBCXPHR-INIZCTEOSA-N 2 2 330.394 3.201 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1C(F)(F)F ZINC000897331368 1310294631 /nfs/dbraw/zinc/29/46/31/1310294631.db2.gz QRDFNUPKXCDDNJ-QGZVFWFLSA-N 2 2 342.405 3.203 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)no1 ZINC000800502919 1310771235 /nfs/dbraw/zinc/77/12/35/1310771235.db2.gz HXUZRVOCXQUUFF-HNNXBMFYSA-N 2 2 328.460 3.369 20 0 EGADLP CC(C)(C(=O)N1CC[NH+](CC2CCC(C)(C)CC2)CC1)c1c[nH+]c[nH]1 ZINC000957335343 1317292199 /nfs/dbraw/zinc/29/21/99/1317292199.db2.gz MXLSMXPXWRWNHA-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC3(CC2)CC[NH+](CCF)CC3)c(C)[nH+]1 ZINC000957581583 1317476089 /nfs/dbraw/zinc/47/60/89/1317476089.db2.gz KAXFQNDVWHUNDT-UHFFFAOYSA-N 2 2 347.478 3.295 20 0 EGADLP CC(C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000957635560 1317509590 /nfs/dbraw/zinc/50/95/90/1317509590.db2.gz DICJSWUIOBRQKJ-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804006 1328705363 /nfs/dbraw/zinc/70/53/63/1328705363.db2.gz QPNORMURYRYAOF-IBGZPJMESA-N 2 2 341.455 3.085 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(N2CCCOC2=O)cc1 ZINC000902481790 1317583115 /nfs/dbraw/zinc/58/31/15/1317583115.db2.gz HASTWPXDLMWUTC-WBVHZDCISA-N 2 2 331.460 3.216 20 0 EGADLP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000957734827 1317598933 /nfs/dbraw/zinc/59/89/33/1317598933.db2.gz AJXUHVGLULIVFG-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000957734827 1317598935 /nfs/dbraw/zinc/59/89/35/1317598935.db2.gz AJXUHVGLULIVFG-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP Cn1c[nH+]cc1CC[NH2+]Cc1c(Br)ccc(Cl)c1F ZINC000902621861 1317600426 /nfs/dbraw/zinc/60/04/26/1317600426.db2.gz RGQAUOSUYRZJOJ-UHFFFAOYSA-N 2 2 346.631 3.307 20 0 EGADLP C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902891918 1317627110 /nfs/dbraw/zinc/62/71/10/1317627110.db2.gz XDRUVILCRCPOLZ-DNVCBOLYSA-N 2 2 339.414 3.266 20 0 EGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(OC)c1 ZINC000903201670 1317673892 /nfs/dbraw/zinc/67/38/92/1317673892.db2.gz ZINJZNFIEUBXCS-WQHGSSGSSA-N 2 2 330.472 3.130 20 0 EGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(OC)c1 ZINC000903201670 1317673896 /nfs/dbraw/zinc/67/38/96/1317673896.db2.gz ZINJZNFIEUBXCS-WQHGSSGSSA-N 2 2 330.472 3.130 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)no2)CCC1 ZINC000903812898 1317736122 /nfs/dbraw/zinc/73/61/22/1317736122.db2.gz ADIKSNLWAZVBKZ-INIZCTEOSA-N 2 2 326.444 3.220 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3)no2)CCC1 ZINC000903812898 1317736129 /nfs/dbraw/zinc/73/61/29/1317736129.db2.gz ADIKSNLWAZVBKZ-INIZCTEOSA-N 2 2 326.444 3.220 20 0 EGADLP Cn1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3C3(C[NH3+])CCC3)cs2)cn1 ZINC000903811038 1317736378 /nfs/dbraw/zinc/73/63/78/1317736378.db2.gz JAIFEOQJPGKXMZ-MRXNPFEDSA-N 2 2 345.516 3.027 20 0 EGADLP Cn1cc(-c2nc(C[N@H+]3CCCC[C@@H]3C3(C[NH3+])CCC3)cs2)cn1 ZINC000903811038 1317736386 /nfs/dbraw/zinc/73/63/86/1317736386.db2.gz JAIFEOQJPGKXMZ-MRXNPFEDSA-N 2 2 345.516 3.027 20 0 EGADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848431 1328718838 /nfs/dbraw/zinc/71/88/38/1328718838.db2.gz SCGUXNUQEJXAAU-OXQOHEQNSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848431 1328718842 /nfs/dbraw/zinc/71/88/42/1328718842.db2.gz SCGUXNUQEJXAAU-OXQOHEQNSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000929848431 1328718848 /nfs/dbraw/zinc/71/88/48/1328718848.db2.gz SCGUXNUQEJXAAU-OXQOHEQNSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848431 1328718849 /nfs/dbraw/zinc/71/88/49/1328718849.db2.gz SCGUXNUQEJXAAU-OXQOHEQNSA-N 2 2 338.499 3.217 20 0 EGADLP Clc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884293 1317741037 /nfs/dbraw/zinc/74/10/37/1317741037.db2.gz WVJMZGFJLRDTJX-KDOFPFPSSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884293 1317741044 /nfs/dbraw/zinc/74/10/44/1317741044.db2.gz WVJMZGFJLRDTJX-KDOFPFPSSA-N 2 2 345.878 3.193 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000903898066 1317745448 /nfs/dbraw/zinc/74/54/48/1317745448.db2.gz HWFUKLATGARPNN-HZPDHXFCSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000903898066 1317745458 /nfs/dbraw/zinc/74/54/58/1317745458.db2.gz HWFUKLATGARPNN-HZPDHXFCSA-N 2 2 340.439 3.266 20 0 EGADLP COc1ccc(C[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)C2CC2)c(OC)c1 ZINC000903910197 1317747845 /nfs/dbraw/zinc/74/78/45/1317747845.db2.gz KIZHWTYPKNBXIH-SWLSCSKDSA-N 2 2 342.430 3.287 20 0 EGADLP COc1ccc(C[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H](C)C2CC2)c(OC)c1 ZINC000903910197 1317747850 /nfs/dbraw/zinc/74/78/50/1317747850.db2.gz KIZHWTYPKNBXIH-SWLSCSKDSA-N 2 2 342.430 3.287 20 0 EGADLP Nc1ccc2c(c1)C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC000903944342 1317752803 /nfs/dbraw/zinc/75/28/03/1317752803.db2.gz INDOBOCRLIXJTM-UHFFFAOYSA-N 2 2 337.467 3.128 20 0 EGADLP Nc1ccc2c(c1)C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC000903944342 1317752808 /nfs/dbraw/zinc/75/28/08/1317752808.db2.gz INDOBOCRLIXJTM-UHFFFAOYSA-N 2 2 337.467 3.128 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1Cl ZINC000858245940 1328720605 /nfs/dbraw/zinc/72/06/05/1328720605.db2.gz ZADPGACAONNSTL-OAHLLOKOSA-N 2 2 326.916 3.467 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1Cl ZINC000858245940 1328720611 /nfs/dbraw/zinc/72/06/11/1328720611.db2.gz ZADPGACAONNSTL-OAHLLOKOSA-N 2 2 326.916 3.467 20 0 EGADLP COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000809550854 1317829712 /nfs/dbraw/zinc/82/97/12/1317829712.db2.gz NZBSBTVPTMARSB-MRXNPFEDSA-N 2 2 345.512 3.420 20 0 EGADLP COc1cccc(C[C@H]2CCC[N@H+]2Cc2ncc(C[NH+](C)C)s2)c1 ZINC000809550854 1317829718 /nfs/dbraw/zinc/82/97/18/1317829718.db2.gz NZBSBTVPTMARSB-MRXNPFEDSA-N 2 2 345.512 3.420 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000905097039 1317923516 /nfs/dbraw/zinc/92/35/16/1317923516.db2.gz KULRKWHHCCEUHW-PKOBYXMFSA-N 2 2 348.531 3.152 20 0 EGADLP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000905180390 1317932221 /nfs/dbraw/zinc/93/22/21/1317932221.db2.gz PSRFLFHJEFUAFC-UWJYYQICSA-N 2 2 339.483 3.239 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)cc2)c1C ZINC000908325102 1318328842 /nfs/dbraw/zinc/32/88/42/1318328842.db2.gz XFFZDGDOUBQKRJ-HKUYNNGSSA-N 2 2 338.455 3.445 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)cc2)c1C ZINC000908325102 1318328851 /nfs/dbraw/zinc/32/88/51/1318328851.db2.gz XFFZDGDOUBQKRJ-HKUYNNGSSA-N 2 2 338.455 3.445 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000813854608 1318644782 /nfs/dbraw/zinc/64/47/82/1318644782.db2.gz BSDGARHCMRZYIW-CRAIPNDOSA-N 2 2 342.487 3.350 20 0 EGADLP CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214769 1319342012 /nfs/dbraw/zinc/34/20/12/1319342012.db2.gz TYXFBNYYUCMPOQ-QZTJIDSGSA-N 2 2 329.488 3.201 20 0 EGADLP CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214769 1319342022 /nfs/dbraw/zinc/34/20/22/1319342022.db2.gz TYXFBNYYUCMPOQ-QZTJIDSGSA-N 2 2 329.488 3.201 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000817880460 1319451339 /nfs/dbraw/zinc/45/13/39/1319451339.db2.gz VJAOSYVLTQJDNW-RVKKMQEKSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000817880460 1319451342 /nfs/dbraw/zinc/45/13/42/1319451342.db2.gz VJAOSYVLTQJDNW-RVKKMQEKSA-N 2 2 325.456 3.084 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371344 1319483912 /nfs/dbraw/zinc/48/39/12/1319483912.db2.gz XWEVBHQJOYYJTM-RDJZCZTQSA-N 2 2 342.487 3.131 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001023371344 1319483918 /nfs/dbraw/zinc/48/39/18/1319483918.db2.gz XWEVBHQJOYYJTM-RDJZCZTQSA-N 2 2 342.487 3.131 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819182666 1319659787 /nfs/dbraw/zinc/65/97/87/1319659787.db2.gz GMSFSSULGJMMTR-YWZLYKJASA-N 2 2 343.446 3.069 20 0 EGADLP Cc1c(C[NH2+]CCCCn2cc[nH+]c2)sc2nc(C)nc(C)c12 ZINC000918197416 1319933049 /nfs/dbraw/zinc/93/30/49/1319933049.db2.gz OJHRWWNPWMYQAD-UHFFFAOYSA-N 2 2 329.473 3.383 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000821984751 1320045073 /nfs/dbraw/zinc/04/50/73/1320045073.db2.gz ZIVLCBQPTPVYPF-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000821984751 1320045080 /nfs/dbraw/zinc/04/50/80/1320045080.db2.gz ZIVLCBQPTPVYPF-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824098592 1320228941 /nfs/dbraw/zinc/22/89/41/1320228941.db2.gz MMNVBIYIYOCIQB-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824098592 1320228947 /nfs/dbraw/zinc/22/89/47/1320228947.db2.gz MMNVBIYIYOCIQB-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000841056691 1321211385 /nfs/dbraw/zinc/21/13/85/1321211385.db2.gz IMNKMFZTUMCAOY-GOSISDBHSA-N 2 2 332.879 3.313 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842477651 1321394102 /nfs/dbraw/zinc/39/41/02/1321394102.db2.gz CIAZSTYFSUPJNK-RVKKMQEKSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842477651 1321394108 /nfs/dbraw/zinc/39/41/08/1321394108.db2.gz CIAZSTYFSUPJNK-RVKKMQEKSA-N 2 2 325.456 3.084 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673979 1321416813 /nfs/dbraw/zinc/41/68/13/1321416813.db2.gz SKBICFSEUCCAOW-NSHDSACASA-N 2 2 346.700 3.317 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673979 1321416818 /nfs/dbraw/zinc/41/68/18/1321416818.db2.gz SKBICFSEUCCAOW-NSHDSACASA-N 2 2 346.700 3.317 20 0 EGADLP CC[C@H](C)C[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842755580 1321428052 /nfs/dbraw/zinc/42/80/52/1321428052.db2.gz HDNIXGUBDAIWQR-FUHWJXTLSA-N 2 2 333.520 3.108 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)OC[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829900 1321437213 /nfs/dbraw/zinc/43/72/13/1321437213.db2.gz IMAJLCYBBBCOLT-PKOBYXMFSA-N 2 2 332.488 3.343 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)OC[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829900 1321437216 /nfs/dbraw/zinc/43/72/16/1321437216.db2.gz IMAJLCYBBBCOLT-PKOBYXMFSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@@H](C(=O)OC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000842829900 1321437218 /nfs/dbraw/zinc/43/72/18/1321437218.db2.gz IMAJLCYBBBCOLT-PKOBYXMFSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@@H](C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000842829900 1321437220 /nfs/dbraw/zinc/43/72/20/1321437220.db2.gz IMAJLCYBBBCOLT-PKOBYXMFSA-N 2 2 332.488 3.343 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnn(Cc2ccccc2Cl)c1 ZINC000843054444 1321463076 /nfs/dbraw/zinc/46/30/76/1321463076.db2.gz ZYKFTKIGSMHMPO-AYHJJNSGSA-N 2 2 344.890 3.429 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnn(Cc2ccccc2Cl)c1 ZINC000843054444 1321463078 /nfs/dbraw/zinc/46/30/78/1321463078.db2.gz ZYKFTKIGSMHMPO-AYHJJNSGSA-N 2 2 344.890 3.429 20 0 EGADLP Cc1ccc(-n2c(Cl)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])nc2N(C)C)cc1 ZINC000843126906 1321474539 /nfs/dbraw/zinc/47/45/39/1321474539.db2.gz BAKDFNHLMAZYSC-KGLIPLIRSA-N 2 2 349.910 3.116 20 0 EGADLP Cc1ccc(N2CC[N@H+](CCCc3c[nH+]cn3C)[C@@H](C)C2)cc1C ZINC000846811683 1321811639 /nfs/dbraw/zinc/81/16/39/1321811639.db2.gz OZHLMHYLIXHRQJ-SFHVURJKSA-N 2 2 326.488 3.180 20 0 EGADLP Cc1ccc(N2CC[N@@H+](CCCc3c[nH+]cn3C)[C@@H](C)C2)cc1C ZINC000846811683 1321811644 /nfs/dbraw/zinc/81/16/44/1321811644.db2.gz OZHLMHYLIXHRQJ-SFHVURJKSA-N 2 2 326.488 3.180 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000848530804 1321970535 /nfs/dbraw/zinc/97/05/35/1321970535.db2.gz GUGPBKHRWAZCRG-HOTGVXAUSA-N 2 2 348.491 3.309 20 0 EGADLP COC(=O)/C=C/c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000848894570 1322034034 /nfs/dbraw/zinc/03/40/34/1322034034.db2.gz KJMUBLGBFGUYTB-CMDGGOBGSA-N 2 2 346.471 3.210 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000859479316 1328997774 /nfs/dbraw/zinc/99/77/74/1328997774.db2.gz FJHOIQWEJQPFMK-SJORKVTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000859479316 1328997790 /nfs/dbraw/zinc/99/77/90/1328997790.db2.gz FJHOIQWEJQPFMK-SJORKVTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000859479316 1328997794 /nfs/dbraw/zinc/99/77/94/1328997794.db2.gz FJHOIQWEJQPFMK-SJORKVTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000859479316 1328997799 /nfs/dbraw/zinc/99/77/99/1328997799.db2.gz FJHOIQWEJQPFMK-SJORKVTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000849077509 1322069101 /nfs/dbraw/zinc/06/91/01/1322069101.db2.gz BOLRNRUBDOMDKE-QFBILLFUSA-N 2 2 346.519 3.333 20 0 EGADLP COc1cncc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000850138814 1322197678 /nfs/dbraw/zinc/19/76/78/1322197678.db2.gz JUZALDDPUKDPIN-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000850557226 1322266452 /nfs/dbraw/zinc/26/64/52/1322266452.db2.gz MZFSOXCDGPPCSW-AEFFLSMTSA-N 2 2 332.488 3.216 20 0 EGADLP CCCC[N@H+](CC(=O)Nc1ccon1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931031324 1329033350 /nfs/dbraw/zinc/03/33/50/1329033350.db2.gz AMXBMRNJZLFSPQ-UHFFFAOYSA-N 2 2 336.480 3.024 20 0 EGADLP CCCC[N@@H+](CC(=O)Nc1ccon1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931031324 1329033354 /nfs/dbraw/zinc/03/33/54/1329033354.db2.gz AMXBMRNJZLFSPQ-UHFFFAOYSA-N 2 2 336.480 3.024 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C(C)(C)O)cc1 ZINC000924645724 1323090042 /nfs/dbraw/zinc/09/00/42/1323090042.db2.gz MIIXGYDDSDXJMH-HNNXBMFYSA-N 2 2 327.472 3.340 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c2ncnn21 ZINC000924677596 1323108795 /nfs/dbraw/zinc/10/87/95/1323108795.db2.gz ZKHFSVBLNLTSAM-APWZRJJASA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000924733168 1323138303 /nfs/dbraw/zinc/13/83/03/1323138303.db2.gz DMSQKZDJHBCDBQ-YSIASYRMSA-N 2 2 343.515 3.106 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001024980191 1323811971 /nfs/dbraw/zinc/81/19/71/1323811971.db2.gz FYTOMVVWTUVFOE-VQIMIIECSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001024980191 1323811977 /nfs/dbraw/zinc/81/19/77/1323811977.db2.gz FYTOMVVWTUVFOE-VQIMIIECSA-N 2 2 340.471 3.074 20 0 EGADLP CC[N@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995716 1329124914 /nfs/dbraw/zinc/12/49/14/1329124914.db2.gz VHIGTBHJUHNFPQ-UHFFFAOYSA-N 2 2 330.476 3.451 20 0 EGADLP CC[N@@H+](Cc1nnc(C(C)(C)C)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995716 1329124915 /nfs/dbraw/zinc/12/49/15/1329124915.db2.gz VHIGTBHJUHNFPQ-UHFFFAOYSA-N 2 2 330.476 3.451 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237039 1324027566 /nfs/dbraw/zinc/02/75/66/1324027566.db2.gz JDUXYMCEVVIHLB-OALUTQOASA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237039 1324027575 /nfs/dbraw/zinc/02/75/75/1324027575.db2.gz JDUXYMCEVVIHLB-OALUTQOASA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237039 1324027580 /nfs/dbraw/zinc/02/75/80/1324027580.db2.gz JDUXYMCEVVIHLB-OALUTQOASA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237039 1324027587 /nfs/dbraw/zinc/02/75/87/1324027587.db2.gz JDUXYMCEVVIHLB-OALUTQOASA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255184 1324062462 /nfs/dbraw/zinc/06/24/62/1324062462.db2.gz OHJBKBQACUATKT-RTBURBONSA-N 2 2 344.503 3.085 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255184 1324062470 /nfs/dbraw/zinc/06/24/70/1324062470.db2.gz OHJBKBQACUATKT-RTBURBONSA-N 2 2 344.503 3.085 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293868 1324121522 /nfs/dbraw/zinc/12/15/22/1324121522.db2.gz VMMXCUZBSKBKEM-RBUKOAKNSA-N 2 2 344.503 3.072 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293868 1324121524 /nfs/dbraw/zinc/12/15/24/1324121524.db2.gz VMMXCUZBSKBKEM-RBUKOAKNSA-N 2 2 344.503 3.072 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424061 1324257279 /nfs/dbraw/zinc/25/72/79/1324257279.db2.gz VWGFECMMSVNACX-WMZOPIPTSA-N 2 2 342.487 3.273 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424061 1324257283 /nfs/dbraw/zinc/25/72/83/1324257283.db2.gz VWGFECMMSVNACX-WMZOPIPTSA-N 2 2 342.487 3.273 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)on1 ZINC000925147657 1325065910 /nfs/dbraw/zinc/06/59/10/1325065910.db2.gz ANNUBMCRFBTJLR-CQSZACIVSA-N 2 2 344.459 3.069 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296963 1325080894 /nfs/dbraw/zinc/08/08/94/1325080894.db2.gz GYMIXIYYAPMJTK-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296963 1325080903 /nfs/dbraw/zinc/08/09/03/1325080903.db2.gz GYMIXIYYAPMJTK-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cnnn1-c1ccccc1 ZINC000925217195 1325084204 /nfs/dbraw/zinc/08/42/04/1325084204.db2.gz NWIMHXGZWGCGKO-MRXNPFEDSA-N 2 2 339.487 3.325 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320790 1325106675 /nfs/dbraw/zinc/10/66/75/1325106675.db2.gz BGYTWCMCMYNKSC-ROUUACIJSA-N 2 2 346.519 3.040 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320790 1325106680 /nfs/dbraw/zinc/10/66/80/1325106680.db2.gz BGYTWCMCMYNKSC-ROUUACIJSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556075 1325206793 /nfs/dbraw/zinc/20/67/93/1325206793.db2.gz JTLXPDMOSMBOPR-KRFUXDQASA-N 3 2 327.516 3.003 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556075 1325206804 /nfs/dbraw/zinc/20/68/04/1325206804.db2.gz JTLXPDMOSMBOPR-KRFUXDQASA-N 3 2 327.516 3.003 20 0 EGADLP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)c1c[nH+]c[nH]1 ZINC001027172626 1325270611 /nfs/dbraw/zinc/27/06/11/1325270611.db2.gz ZKRPGQXUUGUZTN-KRWDZBQOSA-N 2 2 346.519 3.096 20 0 EGADLP CC(C)[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000925790784 1325301829 /nfs/dbraw/zinc/30/18/29/1325301829.db2.gz IWYFWHMOIDMIBU-CRAIPNDOSA-N 2 2 338.442 3.410 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(OC(F)F)c1 ZINC000925795753 1325304011 /nfs/dbraw/zinc/30/40/11/1325304011.db2.gz PLSYBHKYWPGWEE-DZGCQCFKSA-N 2 2 340.414 3.097 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925798991 1325305397 /nfs/dbraw/zinc/30/53/97/1325305397.db2.gz XOIGCICCYWXPJO-SJLPKXTDSA-N 2 2 332.488 3.285 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cnc2ccsc2c1 ZINC000925798731 1325306030 /nfs/dbraw/zinc/30/60/30/1325306030.db2.gz RZDPJKWQLGAFLC-DZGCQCFKSA-N 2 2 331.485 3.106 20 0 EGADLP CS[C@@H]1CCC[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000925938448 1325364833 /nfs/dbraw/zinc/36/48/33/1325364833.db2.gz YBUNIUDVWRAHAO-USXIJHARSA-N 2 2 334.533 3.308 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514582 1327786013 /nfs/dbraw/zinc/78/60/13/1327786013.db2.gz NLXKIWASUDXNRX-IBGZPJMESA-N 2 2 344.503 3.087 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514582 1327786021 /nfs/dbraw/zinc/78/60/21/1327786021.db2.gz NLXKIWASUDXNRX-IBGZPJMESA-N 2 2 344.503 3.087 20 0 EGADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000934195206 1329954041 /nfs/dbraw/zinc/95/40/41/1329954041.db2.gz MIPBPHONKNVCJB-UHFFFAOYSA-N 2 2 348.450 3.300 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@@H]2C)c[nH+]1 ZINC000942180751 1331864235 /nfs/dbraw/zinc/86/42/35/1331864235.db2.gz JGPAWAZANHDCSC-RDJZCZTQSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C[C@@H]2C)c[nH+]1 ZINC000942180751 1331864240 /nfs/dbraw/zinc/86/42/40/1331864240.db2.gz JGPAWAZANHDCSC-RDJZCZTQSA-N 2 2 348.535 3.189 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878759 1333288629 /nfs/dbraw/zinc/28/86/29/1333288629.db2.gz RUBVAOSGIVCBAJ-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947878759 1333288632 /nfs/dbraw/zinc/28/86/32/1333288632.db2.gz RUBVAOSGIVCBAJ-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474215 1333539880 /nfs/dbraw/zinc/53/98/80/1333539880.db2.gz RGKWXPAKBAMTOB-AEFFLSMTSA-N 2 2 348.535 3.286 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948474215 1333539883 /nfs/dbraw/zinc/53/98/83/1333539883.db2.gz RGKWXPAKBAMTOB-AEFFLSMTSA-N 2 2 348.535 3.286 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616942 1333597880 /nfs/dbraw/zinc/59/78/80/1333597880.db2.gz LFUYLGSJHRWWTQ-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616942 1333597882 /nfs/dbraw/zinc/59/78/82/1333597882.db2.gz LFUYLGSJHRWWTQ-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000950635677 1334100214 /nfs/dbraw/zinc/10/02/14/1334100214.db2.gz SWBXGADNEJXLKL-YLJYHZDGSA-N 2 2 343.515 3.073 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC000950635677 1334100217 /nfs/dbraw/zinc/10/02/17/1334100217.db2.gz SWBXGADNEJXLKL-YLJYHZDGSA-N 2 2 343.515 3.073 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000950635674 1334100304 /nfs/dbraw/zinc/10/03/04/1334100304.db2.gz SWBXGADNEJXLKL-FXAWDEMLSA-N 2 2 343.515 3.073 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC000950635674 1334100308 /nfs/dbraw/zinc/10/03/08/1334100308.db2.gz SWBXGADNEJXLKL-FXAWDEMLSA-N 2 2 343.515 3.073 20 0 EGADLP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000951001592 1334165932 /nfs/dbraw/zinc/16/59/32/1334165932.db2.gz FQZYEIQQKICMEL-MRXNPFEDSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000951187857 1334202036 /nfs/dbraw/zinc/20/20/36/1334202036.db2.gz YQXPXHSHZRWTKX-UHFFFAOYSA-N 2 2 344.503 3.041 20 0 EGADLP C[C@H](F)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920825 1336089813 /nfs/dbraw/zinc/08/98/13/1336089813.db2.gz ZFOGPAITKDXXIO-HOCLYGCPSA-N 2 2 346.450 3.285 20 0 EGADLP C[C@H](F)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920825 1336089817 /nfs/dbraw/zinc/08/98/17/1336089817.db2.gz ZFOGPAITKDXXIO-HOCLYGCPSA-N 2 2 346.450 3.285 20 0 EGADLP CC(C)C[NH+]1CCC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001006231938 1336473046 /nfs/dbraw/zinc/47/30/46/1336473046.db2.gz FWRAHPAEIYZUOC-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001006292378 1336484848 /nfs/dbraw/zinc/48/48/48/1336484848.db2.gz NNCWAEQXGTUDLR-UHFFFAOYSA-N 2 2 346.519 3.190 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940708 1337961163 /nfs/dbraw/zinc/96/11/63/1337961163.db2.gz LOSNNOLLLGZEDV-UZLBHIALSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940708 1337961166 /nfs/dbraw/zinc/96/11/66/1337961166.db2.gz LOSNNOLLLGZEDV-UZLBHIALSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CCC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014943369 1337962264 /nfs/dbraw/zinc/96/22/64/1337962264.db2.gz YJFMTYVYZKDHAG-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CCC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014943369 1337962269 /nfs/dbraw/zinc/96/22/69/1337962269.db2.gz YJFMTYVYZKDHAG-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017122077 1338879882 /nfs/dbraw/zinc/87/98/82/1338879882.db2.gz YYXIMKLRERMPSZ-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017122077 1338879884 /nfs/dbraw/zinc/87/98/84/1338879884.db2.gz YYXIMKLRERMPSZ-SFHVURJKSA-N 2 2 344.503 3.013 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239328 1340500080 /nfs/dbraw/zinc/50/00/80/1340500080.db2.gz KDGMAEUSHRDMIZ-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239328 1340500083 /nfs/dbraw/zinc/50/00/83/1340500083.db2.gz KDGMAEUSHRDMIZ-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686835 1340758259 /nfs/dbraw/zinc/75/82/59/1340758259.db2.gz DDCSRCCEJBACFT-SJORKVTESA-N 2 2 348.450 3.147 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686835 1340758261 /nfs/dbraw/zinc/75/82/61/1340758261.db2.gz DDCSRCCEJBACFT-SJORKVTESA-N 2 2 348.450 3.147 20 0 EGADLP C[C@H](CC(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001029152865 1340943967 /nfs/dbraw/zinc/94/39/67/1340943967.db2.gz KZHRQCMDBIGISF-SJORKVTESA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001030529108 1341194561 /nfs/dbraw/zinc/19/45/61/1341194561.db2.gz UBNPPBBAHGSHPI-GJZGRUSLSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001030959167 1341256321 /nfs/dbraw/zinc/25/63/21/1341256321.db2.gz DSEONFIITVCJQD-SJORKVTESA-N 2 2 343.515 3.013 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001030959167 1341256323 /nfs/dbraw/zinc/25/63/23/1341256323.db2.gz DSEONFIITVCJQD-SJORKVTESA-N 2 2 343.515 3.013 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773105 1341399846 /nfs/dbraw/zinc/39/98/46/1341399846.db2.gz MFZAWIVXPNZJOO-HNNXBMFYSA-N 2 2 348.450 3.294 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032477433 1341519270 /nfs/dbraw/zinc/51/92/70/1341519270.db2.gz LKDXRSHKWXKTAX-IRXDYDNUSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032477433 1341519271 /nfs/dbraw/zinc/51/92/71/1341519271.db2.gz LKDXRSHKWXKTAX-IRXDYDNUSA-N 2 2 338.455 3.042 20 0 EGADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033950020 1342109037 /nfs/dbraw/zinc/10/90/37/1342109037.db2.gz NQULRWNYWPUWJE-HZPDHXFCSA-N 2 2 346.519 3.189 20 0 EGADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033950020 1342109038 /nfs/dbraw/zinc/10/90/38/1342109038.db2.gz NQULRWNYWPUWJE-HZPDHXFCSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001036277506 1343392119 /nfs/dbraw/zinc/39/21/19/1343392119.db2.gz ZBRWVMGIJYIPRC-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001036277502 1343392431 /nfs/dbraw/zinc/39/24/31/1343392431.db2.gz ZBRWVMGIJYIPRC-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036395125 1343462989 /nfs/dbraw/zinc/46/29/89/1343462989.db2.gz PCTKJMCUZWVPKD-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036595327 1343568432 /nfs/dbraw/zinc/56/84/32/1343568432.db2.gz ZJJLNTSBMZTDPG-BEFAXECRSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751173 1343674069 /nfs/dbraw/zinc/67/40/69/1343674069.db2.gz YYWARPBZMCHVRS-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751173 1343674073 /nfs/dbraw/zinc/67/40/73/1343674073.db2.gz YYWARPBZMCHVRS-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC2)c(C)[nH+]1 ZINC001037218330 1344050357 /nfs/dbraw/zinc/05/03/57/1344050357.db2.gz XQFGUWCBSKMANY-ZWKOTPCHSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@@H]1[NH2+]CC(C)C ZINC001037884941 1344160291 /nfs/dbraw/zinc/16/02/91/1344160291.db2.gz BLODXWNMJBWURU-MSOLQXFVSA-N 2 2 331.504 3.493 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037936156 1344191015 /nfs/dbraw/zinc/19/10/15/1344191015.db2.gz UHXKBNXMOZKJLT-PKOBYXMFSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1[C@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415346 1344418432 /nfs/dbraw/zinc/41/84/32/1344418432.db2.gz HFCRZHZUMNANKE-UZLBHIALSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1[C@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415346 1344418433 /nfs/dbraw/zinc/41/84/33/1344418433.db2.gz HFCRZHZUMNANKE-UZLBHIALSA-N 2 2 346.434 3.055 20 0 EGADLP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039138823 1344819003 /nfs/dbraw/zinc/81/90/03/1344819003.db2.gz ZVQYESNJMWZNLD-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@H+]1CC[C@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039138823 1344819007 /nfs/dbraw/zinc/81/90/07/1344819007.db2.gz ZVQYESNJMWZNLD-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211038 1344926135 /nfs/dbraw/zinc/92/61/35/1344926135.db2.gz RLQOHWMCVJEZME-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039211038 1344926138 /nfs/dbraw/zinc/92/61/38/1344926138.db2.gz RLQOHWMCVJEZME-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211038 1344926141 /nfs/dbraw/zinc/92/61/41/1344926141.db2.gz RLQOHWMCVJEZME-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039211038 1344926145 /nfs/dbraw/zinc/92/61/45/1344926145.db2.gz RLQOHWMCVJEZME-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394432 1345043219 /nfs/dbraw/zinc/04/32/19/1345043219.db2.gz SEIKOELUFFTYJG-CVEARBPZSA-N 2 2 326.444 3.042 20 0 EGADLP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394432 1345043220 /nfs/dbraw/zinc/04/32/20/1345043220.db2.gz SEIKOELUFFTYJG-CVEARBPZSA-N 2 2 326.444 3.042 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039446188 1345071279 /nfs/dbraw/zinc/07/12/79/1345071279.db2.gz WVMOWYYVVYUZDJ-UHOSZYNNSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001039446188 1345071283 /nfs/dbraw/zinc/07/12/83/1345071283.db2.gz WVMOWYYVVYUZDJ-UHOSZYNNSA-N 2 2 346.519 3.336 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCC(C)C)c[nH+]1 ZINC001039677108 1345155506 /nfs/dbraw/zinc/15/55/06/1345155506.db2.gz HHSGBYYXWONJBK-HDICACEKSA-N 2 2 346.519 3.038 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC(C)C)c[nH+]1 ZINC001039677108 1345155509 /nfs/dbraw/zinc/15/55/09/1345155509.db2.gz HHSGBYYXWONJBK-HDICACEKSA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040265354 1345403522 /nfs/dbraw/zinc/40/35/22/1345403522.db2.gz ZFMFXNMCZXYTPV-HXUWFJFHSA-N 2 2 340.471 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/nfs/dbraw/zinc/31/33/96/1387313396.db2.gz OQEBOXAXLWTLMB-QZTJIDSGSA-N 2 2 334.508 3.241 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673435 1358677356 /nfs/dbraw/zinc/67/73/56/1358677356.db2.gz XMLCNKANGCJNBM-YJBOKZPZSA-N 2 2 348.450 3.470 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673435 1358677357 /nfs/dbraw/zinc/67/73/57/1358677357.db2.gz XMLCNKANGCJNBM-YJBOKZPZSA-N 2 2 348.450 3.470 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CCCC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673568 1358677439 /nfs/dbraw/zinc/67/74/39/1358677439.db2.gz ZWYPYYXTPGPBQO-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CCCC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673568 1358677444 /nfs/dbraw/zinc/67/74/44/1358677444.db2.gz ZWYPYYXTPGPBQO-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CC1(C)CC(C[NH2+][C@H]2CCCCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001088356408 1359839953 /nfs/dbraw/zinc/83/99/53/1359839953.db2.gz ZDBNYWGZEZJQIG-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCC1CCCCC1 ZINC001088635984 1359998198 /nfs/dbraw/zinc/99/81/98/1359998198.db2.gz ZZWAQNRHOPRPAQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCC1CCCCC1 ZINC001088635984 1359998199 /nfs/dbraw/zinc/99/81/99/1359998199.db2.gz ZZWAQNRHOPRPAQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCC1CCCCC1 ZINC001088635984 1359998204 /nfs/dbraw/zinc/99/82/04/1359998204.db2.gz ZZWAQNRHOPRPAQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCC1CCCCC1 ZINC001088635984 1359998206 /nfs/dbraw/zinc/99/82/06/1359998206.db2.gz ZZWAQNRHOPRPAQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](C(C)C)CC(C)(C)C3)ccn12 ZINC001089386634 1360387655 /nfs/dbraw/zinc/38/76/55/1360387655.db2.gz RIYDMTJBBCPHDO-KRWDZBQOSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](C(C)C)CC(C)(C)C3)ccn12 ZINC001089386634 1360387659 /nfs/dbraw/zinc/38/76/59/1360387659.db2.gz RIYDMTJBBCPHDO-KRWDZBQOSA-N 2 2 342.487 3.272 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CCCC2CCC2)C1 ZINC001089507906 1360479618 /nfs/dbraw/zinc/47/96/18/1360479618.db2.gz TYLVOMALHLLTTK-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089507906 1360479620 /nfs/dbraw/zinc/47/96/20/1360479620.db2.gz TYLVOMALHLLTTK-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCC2CCCC2)C1 ZINC001089569415 1360514572 /nfs/dbraw/zinc/51/45/72/1360514572.db2.gz ZWMMBPQFHCIRON-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCC2CCCC2)C1 ZINC001089569415 1360514575 /nfs/dbraw/zinc/51/45/75/1360514575.db2.gz ZWMMBPQFHCIRON-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001089675877 1360584156 /nfs/dbraw/zinc/58/41/56/1360584156.db2.gz SMARJTIQYLWJAI-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001089675877 1360584159 /nfs/dbraw/zinc/58/41/59/1360584159.db2.gz SMARJTIQYLWJAI-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP O=C(NCC1CC([NH2+]CC2CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001091141826 1360997183 /nfs/dbraw/zinc/99/71/83/1360997183.db2.gz OEAZMLGAPRHDSM-UHFFFAOYSA-N 2 2 340.471 3.013 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C[NH2+]C/C=C/Cl ZINC001184653002 1387503459 /nfs/dbraw/zinc/50/34/59/1387503459.db2.gz QGNFCYDQGAPLCK-WVHFKYGJSA-N 2 2 346.862 3.003 20 0 EGADLP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428693 1364110310 /nfs/dbraw/zinc/11/03/10/1364110310.db2.gz HIDSTDFIHMTPRM-ACBHZAAOSA-N 2 2 348.535 3.391 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613728 1365138183 /nfs/dbraw/zinc/13/81/83/1365138183.db2.gz RNDGGUFUUBOZSD-GUDVDZBRSA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001102613728 1365138184 /nfs/dbraw/zinc/13/81/84/1365138184.db2.gz RNDGGUFUUBOZSD-GUDVDZBRSA-N 2 2 348.535 3.030 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](CCCF)C[C@H]2C)c(C)[nH+]1 ZINC001103253616 1365458542 /nfs/dbraw/zinc/45/85/42/1365458542.db2.gz DPXVELLMXBZVAS-RHSMWYFYSA-N 2 2 335.467 3.054 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](CCCF)C[C@H]2C)c(C)[nH+]1 ZINC001103253616 1365458544 /nfs/dbraw/zinc/45/85/44/1365458544.db2.gz DPXVELLMXBZVAS-RHSMWYFYSA-N 2 2 335.467 3.054 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185572204 1387753151 /nfs/dbraw/zinc/75/31/51/1387753151.db2.gz IBVUHOOXTDEGIY-KINGKOSLSA-N 2 2 346.519 3.081 20 0 EGADLP CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327367 1365980030 /nfs/dbraw/zinc/98/00/30/1365980030.db2.gz KMMJJRDFBYDCFJ-QRVBRYPASA-N 2 2 348.535 3.201 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001104738346 1366151058 /nfs/dbraw/zinc/15/10/58/1366151058.db2.gz RCIHJEQRIQNEPY-ZIFCJYIRSA-N 2 2 346.519 3.099 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777266 1366168287 /nfs/dbraw/zinc/16/82/87/1366168287.db2.gz BTEMXDUELLMJSP-LZLYRXPVSA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777266 1366168292 /nfs/dbraw/zinc/16/82/92/1366168292.db2.gz BTEMXDUELLMJSP-LZLYRXPVSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001105532716 1366514504 /nfs/dbraw/zinc/51/45/04/1366514504.db2.gz RNOVJWJKZAHRRF-QGZVFWFLSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C2)c(C)[nH+]1 ZINC001106455245 1366701127 /nfs/dbraw/zinc/70/11/27/1366701127.db2.gz IFMMGHHDXCWRIO-PICKXAKRSA-N 2 2 335.879 3.057 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433378 1367118771 /nfs/dbraw/zinc/11/87/71/1367118771.db2.gz LOXXMKKTJYLVCI-XWSJACJDSA-N 2 2 346.519 3.382 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433378 1367118773 /nfs/dbraw/zinc/11/87/73/1367118773.db2.gz LOXXMKKTJYLVCI-XWSJACJDSA-N 2 2 346.519 3.382 20 0 EGADLP C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318803 1367475692 /nfs/dbraw/zinc/47/56/92/1367475692.db2.gz FKFWUFQNCWOANL-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191318803 1367475693 /nfs/dbraw/zinc/47/56/93/1367475693.db2.gz FKFWUFQNCWOANL-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321147 1367476612 /nfs/dbraw/zinc/47/66/12/1367476612.db2.gz SJPFLUJKJUMVBE-MRXNPFEDSA-N 2 2 328.460 3.061 20 0 EGADLP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321147 1367476615 /nfs/dbraw/zinc/47/66/15/1367476615.db2.gz SJPFLUJKJUMVBE-MRXNPFEDSA-N 2 2 328.460 3.061 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670751 1367524033 /nfs/dbraw/zinc/52/40/33/1367524033.db2.gz DCOOUDBHSNSKAH-SFNRIZHHSA-N 2 2 344.503 3.058 20 0 EGADLP CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587234 1367535959 /nfs/dbraw/zinc/53/59/59/1367535959.db2.gz SKJXKJCHOHUSPV-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587234 1367535963 /nfs/dbraw/zinc/53/59/63/1367535963.db2.gz SKJXKJCHOHUSPV-QFBILLFUSA-N 2 2 340.471 3.065 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292723 1367740806 /nfs/dbraw/zinc/74/08/06/1367740806.db2.gz BOZHATOSCCPTSC-HZPDHXFCSA-N 2 2 346.519 3.189 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292723 1367740807 /nfs/dbraw/zinc/74/08/07/1367740807.db2.gz BOZHATOSCCPTSC-HZPDHXFCSA-N 2 2 346.519 3.189 20 0 EGADLP C[NH+](C)C1(CNC(=O)Nc2ccc3sccc3c2)CC[NH+](C)CC1 ZINC001192457040 1367787098 /nfs/dbraw/zinc/78/70/98/1367787098.db2.gz RETRREQVMZYHNN-UHFFFAOYSA-N 2 2 346.500 3.049 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268355 1368219839 /nfs/dbraw/zinc/21/98/39/1368219839.db2.gz GWSZFUFWSJUUMY-DSKINZAPSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001194268355 1368219849 /nfs/dbraw/zinc/21/98/49/1368219849.db2.gz GWSZFUFWSJUUMY-DSKINZAPSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001194268355 1368219854 /nfs/dbraw/zinc/21/98/54/1368219854.db2.gz GWSZFUFWSJUUMY-DSKINZAPSA-N 2 2 344.499 3.172 20 0 EGADLP CC[C@H](C)[C@H](C(=O)OC)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001194268355 1368219856 /nfs/dbraw/zinc/21/98/56/1368219856.db2.gz GWSZFUFWSJUUMY-DSKINZAPSA-N 2 2 344.499 3.172 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731147 1368432416 /nfs/dbraw/zinc/43/24/16/1368432416.db2.gz OEUATPDPRNTMTD-XQDXJYKWSA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001111731147 1368432418 /nfs/dbraw/zinc/43/24/18/1368432418.db2.gz OEUATPDPRNTMTD-XQDXJYKWSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001196242913 1368574216 /nfs/dbraw/zinc/57/42/16/1368574216.db2.gz PIDXDAMPESKMFW-SFHVURJKSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001196242913 1368574218 /nfs/dbraw/zinc/57/42/18/1368574218.db2.gz PIDXDAMPESKMFW-SFHVURJKSA-N 2 2 348.535 3.441 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631717 1368652315 /nfs/dbraw/zinc/65/23/15/1368652315.db2.gz HRAHNXVTIKXGFA-TWMKSMIVSA-N 2 2 335.289 3.318 20 0 EGADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCc4ccc(Br)cc43)C[C@H]21 ZINC001196631717 1368652317 /nfs/dbraw/zinc/65/23/17/1368652317.db2.gz HRAHNXVTIKXGFA-TWMKSMIVSA-N 2 2 335.289 3.318 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125883 1368750399 /nfs/dbraw/zinc/75/03/99/1368750399.db2.gz NYJIGAFWVKJLBF-BDUNBXCCSA-N 2 2 344.503 3.110 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125883 1368750403 /nfs/dbraw/zinc/75/04/03/1368750403.db2.gz NYJIGAFWVKJLBF-BDUNBXCCSA-N 2 2 344.503 3.110 20 0 EGADLP CCC(CC)CNC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198007044 1368940775 /nfs/dbraw/zinc/94/07/75/1368940775.db2.gz IIQCKDRNFYKBCN-UHFFFAOYSA-N 2 2 333.520 3.236 20 0 EGADLP CCC(CC)CNC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198007044 1368940780 /nfs/dbraw/zinc/94/07/80/1368940780.db2.gz IIQCKDRNFYKBCN-UHFFFAOYSA-N 2 2 333.520 3.236 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(C)cc2C)CC1)[NH+](CC)CC ZINC001113340968 1369358954 /nfs/dbraw/zinc/35/89/54/1369358954.db2.gz GPDXWWQOOVCRKH-HXUWFJFHSA-N 2 2 345.531 3.068 20 0 EGADLP CCC/C=C/CC[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001201589022 1369583592 /nfs/dbraw/zinc/58/35/92/1369583592.db2.gz SQYYJUPTDKYUBK-SNAWJCMRSA-N 2 2 340.471 3.275 20 0 EGADLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CCc2ccccc2)CC3)n1 ZINC001201598255 1369585651 /nfs/dbraw/zinc/58/56/51/1369585651.db2.gz KPDSYKRMUSXDNX-UHFFFAOYSA-N 2 2 338.499 3.093 20 0 EGADLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CCc2ccccc2)CC3)n1 ZINC001201598255 1369585655 /nfs/dbraw/zinc/58/56/55/1369585655.db2.gz KPDSYKRMUSXDNX-UHFFFAOYSA-N 2 2 338.499 3.093 20 0 EGADLP CCCCC[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201744869 1369615577 /nfs/dbraw/zinc/61/55/77/1369615577.db2.gz PQHZLVNNUQJKDY-MRXNPFEDSA-N 2 2 339.524 3.240 20 0 EGADLP CCCCC[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201744869 1369615579 /nfs/dbraw/zinc/61/55/79/1369615579.db2.gz PQHZLVNNUQJKDY-MRXNPFEDSA-N 2 2 339.524 3.240 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCCC1 ZINC001202387523 1369757278 /nfs/dbraw/zinc/75/72/78/1369757278.db2.gz HUPSCSBPVHYYHY-NRFANRHFSA-N 2 2 346.515 3.456 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@@H]3C2)c1 ZINC001203026085 1369958693 /nfs/dbraw/zinc/95/86/93/1369958693.db2.gz KJSWSODHAAVYTO-FGZHOGPDSA-N 2 2 333.479 3.134 20 0 EGADLP CCc1[nH]c(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)c(C)[nH+]1 ZINC001203238159 1370035238 /nfs/dbraw/zinc/03/52/38/1370035238.db2.gz KWOZCADJKGPUGT-KDURUIRLSA-N 2 2 338.499 3.153 20 0 EGADLP CCc1[nH]c(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)c(C)[nH+]1 ZINC001203238159 1370035239 /nfs/dbraw/zinc/03/52/39/1370035239.db2.gz KWOZCADJKGPUGT-KDURUIRLSA-N 2 2 338.499 3.153 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1OC ZINC001203454872 1370133084 /nfs/dbraw/zinc/13/30/84/1370133084.db2.gz CSSCPHXNRYOGMH-MRXNPFEDSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1OC ZINC001203454872 1370133085 /nfs/dbraw/zinc/13/30/85/1370133085.db2.gz CSSCPHXNRYOGMH-MRXNPFEDSA-N 2 2 328.412 3.061 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813866 1370274458 /nfs/dbraw/zinc/27/44/58/1370274458.db2.gz FQNXSZNFPFKWFD-GRFNRIFCSA-N 2 2 344.503 3.037 20 0 EGADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001203886283 1370299432 /nfs/dbraw/zinc/29/94/32/1370299432.db2.gz ZUEWHZDGLALWTP-UHFFFAOYSA-N 2 2 346.393 3.022 20 0 EGADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001203886283 1370299434 /nfs/dbraw/zinc/29/94/34/1370299434.db2.gz ZUEWHZDGLALWTP-UHFFFAOYSA-N 2 2 346.393 3.022 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1C ZINC001203894185 1370302681 /nfs/dbraw/zinc/30/26/81/1370302681.db2.gz SYJHGDWRHYEAIH-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1C ZINC001203894185 1370302685 /nfs/dbraw/zinc/30/26/85/1370302685.db2.gz SYJHGDWRHYEAIH-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1C ZINC001203894185 1370302691 /nfs/dbraw/zinc/30/26/91/1370302691.db2.gz SYJHGDWRHYEAIH-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1C ZINC001203894185 1370302694 /nfs/dbraw/zinc/30/26/94/1370302694.db2.gz SYJHGDWRHYEAIH-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203988049 1370340451 /nfs/dbraw/zinc/34/04/51/1370340451.db2.gz NLJWAQMXWLAIPC-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203988049 1370340458 /nfs/dbraw/zinc/34/04/58/1370340458.db2.gz NLJWAQMXWLAIPC-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203988049 1370340462 /nfs/dbraw/zinc/34/04/62/1370340462.db2.gz NLJWAQMXWLAIPC-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(OC)ccc4ccccc43)C[C@@H]2C1 ZINC001203988049 1370340468 /nfs/dbraw/zinc/34/04/68/1370340468.db2.gz NLJWAQMXWLAIPC-LAUBAEHRSA-N 2 2 340.467 3.001 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1O ZINC001204134137 1370385938 /nfs/dbraw/zinc/38/59/38/1370385938.db2.gz MNIBRTGULBOIEQ-MRXNPFEDSA-N 2 2 328.412 3.148 20 0 EGADLP CC1(C)CC(C[NH2+]C2(CNC(=O)CCc3[nH]cc[nH+]3)CCCCC2)C1 ZINC001115510369 1370509492 /nfs/dbraw/zinc/50/94/92/1370509492.db2.gz SQBIOTSQKNUTHL-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC001204561868 1370515952 /nfs/dbraw/zinc/51/59/52/1370515952.db2.gz WWEMMESZOPJVOF-RTBURBONSA-N 2 2 340.442 3.398 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204660691 1370538759 /nfs/dbraw/zinc/53/87/59/1370538759.db2.gz IMCBJOPLQJRPEI-UHFFFAOYSA-N 2 2 325.456 3.258 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204660691 1370538762 /nfs/dbraw/zinc/53/87/62/1370538762.db2.gz IMCBJOPLQJRPEI-UHFFFAOYSA-N 2 2 325.456 3.258 20 0 EGADLP C[C@]1([NH3+])CCC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001204946938 1370613079 /nfs/dbraw/zinc/61/30/79/1370613079.db2.gz UYXVHRAIZUUNHL-INIZCTEOSA-N 2 2 334.261 3.311 20 0 EGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001204946938 1370613082 /nfs/dbraw/zinc/61/30/82/1370613082.db2.gz UYXVHRAIZUUNHL-INIZCTEOSA-N 2 2 334.261 3.311 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)(F)F)c2)C1 ZINC001205009506 1370627268 /nfs/dbraw/zinc/62/72/68/1370627268.db2.gz VNVHODSFRZLILK-CYBMUJFWSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC(F)(F)F)c2)C1 ZINC001205009506 1370627272 /nfs/dbraw/zinc/62/72/72/1370627272.db2.gz VNVHODSFRZLILK-CYBMUJFWSA-N 2 2 332.366 3.025 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116716 1370655041 /nfs/dbraw/zinc/65/50/41/1370655041.db2.gz HCKUSBKVDZBSBF-ZDUSSCGKSA-N 2 2 349.862 3.311 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116716 1370655043 /nfs/dbraw/zinc/65/50/43/1370655043.db2.gz HCKUSBKVDZBSBF-ZDUSSCGKSA-N 2 2 349.862 3.311 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1F ZINC001205172486 1370670243 /nfs/dbraw/zinc/67/02/43/1370670243.db2.gz SLGJXRPDOJRBRJ-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1F ZINC001205172486 1370670247 /nfs/dbraw/zinc/67/02/47/1370670247.db2.gz SLGJXRPDOJRBRJ-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1F ZINC001205172486 1370670248 /nfs/dbraw/zinc/67/02/48/1370670248.db2.gz SLGJXRPDOJRBRJ-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1F ZINC001205172486 1370670251 /nfs/dbraw/zinc/67/02/51/1370670251.db2.gz SLGJXRPDOJRBRJ-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205288873 1370708600 /nfs/dbraw/zinc/70/86/00/1370708600.db2.gz PFDCICBDXKWKCJ-INIZCTEOSA-N 2 2 346.393 3.426 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205288873 1370708603 /nfs/dbraw/zinc/70/86/03/1370708603.db2.gz PFDCICBDXKWKCJ-INIZCTEOSA-N 2 2 346.393 3.426 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303990 1370714339 /nfs/dbraw/zinc/71/43/39/1370714339.db2.gz MHOHSBUCOXFZKO-QWHCGFSZSA-N 2 2 338.546 3.313 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303990 1370714342 /nfs/dbraw/zinc/71/43/42/1370714342.db2.gz MHOHSBUCOXFZKO-QWHCGFSZSA-N 2 2 338.546 3.313 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205314877 1370719153 /nfs/dbraw/zinc/71/91/53/1370719153.db2.gz DFQDZVBCUJRJJM-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC001205314877 1370719155 /nfs/dbraw/zinc/71/91/55/1370719155.db2.gz DFQDZVBCUJRJJM-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3cccc(Br)c3n2)C[C@@H]1C[NH3+] ZINC001205318107 1370719904 /nfs/dbraw/zinc/71/99/04/1370719904.db2.gz RUKJFABWTSSCEI-OCCSQVGLSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cccc(Br)c3n2)C[C@@H]1C[NH3+] ZINC001205318107 1370719909 /nfs/dbraw/zinc/71/99/09/1370719909.db2.gz RUKJFABWTSSCEI-OCCSQVGLSA-N 2 2 348.288 3.414 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749179 1370729694 /nfs/dbraw/zinc/72/96/94/1370729694.db2.gz PGFYZDVVLRLLCE-PLNGDYQASA-N 2 2 332.492 3.107 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])n2)cc1 ZINC001205826829 1370884297 /nfs/dbraw/zinc/88/42/97/1370884297.db2.gz CHBTYBVLSYBFMX-CRAIPNDOSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])n2)cc1 ZINC001205826829 1370884301 /nfs/dbraw/zinc/88/43/01/1370884301.db2.gz CHBTYBVLSYBFMX-CRAIPNDOSA-N 2 2 325.456 3.316 20 0 EGADLP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC001205841556 1370890061 /nfs/dbraw/zinc/89/00/61/1370890061.db2.gz SFNZZAZDWAYJJO-YESZJQIVSA-N 2 2 341.540 3.484 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205856721 1370893857 /nfs/dbraw/zinc/89/38/57/1370893857.db2.gz YCLFIHVAHZAELG-HUUCEWRRSA-N 2 2 328.456 3.416 20 0 EGADLP COc1cc(OC)c(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205856721 1370893859 /nfs/dbraw/zinc/89/38/59/1370893859.db2.gz YCLFIHVAHZAELG-HUUCEWRRSA-N 2 2 328.456 3.416 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205922890 1370912647 /nfs/dbraw/zinc/91/26/47/1370912647.db2.gz CWTXZRKYBSWXRR-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205922890 1370912649 /nfs/dbraw/zinc/91/26/49/1370912649.db2.gz CWTXZRKYBSWXRR-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]1c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001206039632 1370946269 /nfs/dbraw/zinc/94/62/69/1370946269.db2.gz YBXSWXOFPIVSLC-MZTACXPWSA-N 2 2 339.443 3.353 20 0 EGADLP CC(C)[N@H+]1CC[C@H]1c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001206039632 1370946272 /nfs/dbraw/zinc/94/62/72/1370946272.db2.gz YBXSWXOFPIVSLC-MZTACXPWSA-N 2 2 339.443 3.353 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206210004 1370992985 /nfs/dbraw/zinc/99/29/85/1370992985.db2.gz JFLNLZHQUHXSQI-KGLIPLIRSA-N 2 2 333.220 3.158 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206210004 1370992988 /nfs/dbraw/zinc/99/29/88/1370992988.db2.gz JFLNLZHQUHXSQI-KGLIPLIRSA-N 2 2 333.220 3.158 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+]C[C@H](C)C3)o2)cc1 ZINC001206269387 1371008732 /nfs/dbraw/zinc/00/87/32/1371008732.db2.gz LNQHZHXQEHIEAU-HNNXBMFYSA-N 2 2 342.439 3.165 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+]C[C@H](C)C3)o2)cc1 ZINC001206269387 1371008737 /nfs/dbraw/zinc/00/87/37/1371008737.db2.gz LNQHZHXQEHIEAU-HNNXBMFYSA-N 2 2 342.439 3.165 20 0 EGADLP CCOC(OCC)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206370612 1371035330 /nfs/dbraw/zinc/03/53/30/1371035330.db2.gz NQKQZAQPSLRDGF-IBGZPJMESA-N 2 2 338.467 3.411 20 0 EGADLP CCOC(OCC)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206370612 1371035335 /nfs/dbraw/zinc/03/53/35/1371035335.db2.gz NQKQZAQPSLRDGF-IBGZPJMESA-N 2 2 338.467 3.411 20 0 EGADLP CCOc1nccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1Cl ZINC001206606407 1371107864 /nfs/dbraw/zinc/10/78/64/1371107864.db2.gz MZMHAERUUHWQFZ-OAHLLOKOSA-N 2 2 325.884 3.486 20 0 EGADLP CCOc1nccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1Cl ZINC001206606407 1371107865 /nfs/dbraw/zinc/10/78/65/1371107865.db2.gz MZMHAERUUHWQFZ-OAHLLOKOSA-N 2 2 325.884 3.486 20 0 EGADLP [NH3+]C1(c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc2)CC1 ZINC001206712050 1371143245 /nfs/dbraw/zinc/14/32/45/1371143245.db2.gz CMOGMYZRXQOGOD-UHFFFAOYSA-N 2 2 326.415 3.273 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770991 1371160033 /nfs/dbraw/zinc/16/00/33/1371160033.db2.gz VLQMWROJPYPBSR-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206770991 1371160039 /nfs/dbraw/zinc/16/00/39/1371160039.db2.gz VLQMWROJPYPBSR-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001206991840 1371260940 /nfs/dbraw/zinc/26/09/40/1371260940.db2.gz NYTVQXQJQUZTIH-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001206991840 1371260944 /nfs/dbraw/zinc/26/09/44/1371260944.db2.gz NYTVQXQJQUZTIH-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001206991840 1371260948 /nfs/dbraw/zinc/26/09/48/1371260948.db2.gz NYTVQXQJQUZTIH-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001206991840 1371260952 /nfs/dbraw/zinc/26/09/52/1371260952.db2.gz NYTVQXQJQUZTIH-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc([C@H]2C[C@@H]3CC[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]3O2)n1 ZINC001207280431 1371348409 /nfs/dbraw/zinc/34/84/09/1371348409.db2.gz SAOZQUPDFRBQEE-ARFHVFGLSA-N 2 2 337.533 3.191 20 0 EGADLP Cc1csc([C@H]2C[C@@H]3CC[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]3O2)n1 ZINC001207280431 1371348401 /nfs/dbraw/zinc/34/84/01/1371348401.db2.gz SAOZQUPDFRBQEE-ARFHVFGLSA-N 2 2 337.533 3.191 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624297 1371455794 /nfs/dbraw/zinc/45/57/94/1371455794.db2.gz AWXXQLLYPZVJQQ-XDNAFOTISA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624297 1371455796 /nfs/dbraw/zinc/45/57/96/1371455796.db2.gz AWXXQLLYPZVJQQ-XDNAFOTISA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624297 1371455799 /nfs/dbraw/zinc/45/57/99/1371455799.db2.gz AWXXQLLYPZVJQQ-XDNAFOTISA-N 2 2 328.504 3.312 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)[C@@H]2C ZINC001207624297 1371455801 /nfs/dbraw/zinc/45/58/01/1371455801.db2.gz AWXXQLLYPZVJQQ-XDNAFOTISA-N 2 2 328.504 3.312 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001120068370 1371476045 /nfs/dbraw/zinc/47/60/45/1371476045.db2.gz GICBMMFSPNTEMU-UHFFFAOYSA-N 2 2 346.519 3.250 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120084688 1371481606 /nfs/dbraw/zinc/48/16/06/1371481606.db2.gz ICPAEGCGILZENG-SNAWJCMRSA-N 2 2 346.519 3.118 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145342 1371609213 /nfs/dbraw/zinc/60/92/13/1371609213.db2.gz UWEBQKZPTKBRNT-RBSFLKMASA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001208145342 1371609215 /nfs/dbraw/zinc/60/92/15/1371609215.db2.gz UWEBQKZPTKBRNT-RBSFLKMASA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001208145342 1371609217 /nfs/dbraw/zinc/60/92/17/1371609217.db2.gz UWEBQKZPTKBRNT-RBSFLKMASA-N 2 2 325.547 3.181 20 0 EGADLP CS[C@H](C)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001208145342 1371609218 /nfs/dbraw/zinc/60/92/18/1371609218.db2.gz UWEBQKZPTKBRNT-RBSFLKMASA-N 2 2 325.547 3.181 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168332 1371615579 /nfs/dbraw/zinc/61/55/79/1371615579.db2.gz HJHRRBBPQSAWGG-MSOLQXFVSA-N 2 2 328.504 3.287 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001208168332 1371615586 /nfs/dbraw/zinc/61/55/86/1371615586.db2.gz HJHRRBBPQSAWGG-MSOLQXFVSA-N 2 2 328.504 3.287 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CCCC1 ZINC001208185460 1371625748 /nfs/dbraw/zinc/62/57/48/1371625748.db2.gz NHZYQUYRCDQBTE-ROUUACIJSA-N 3 2 347.572 3.234 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001208387918 1371748451 /nfs/dbraw/zinc/74/84/51/1371748451.db2.gz ZJEGGVRHXKRJDH-RBUKOAKNSA-N 2 2 346.519 3.241 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208616582 1371843878 /nfs/dbraw/zinc/84/38/78/1371843878.db2.gz KKQUREPAOCEHOF-INIZCTEOSA-N 2 2 332.488 3.184 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC2 ZINC001208616582 1371843883 /nfs/dbraw/zinc/84/38/83/1371843883.db2.gz KKQUREPAOCEHOF-INIZCTEOSA-N 2 2 332.488 3.184 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208616582 1371843887 /nfs/dbraw/zinc/84/38/87/1371843887.db2.gz KKQUREPAOCEHOF-INIZCTEOSA-N 2 2 332.488 3.184 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001208616582 1371843895 /nfs/dbraw/zinc/84/38/95/1371843895.db2.gz KKQUREPAOCEHOF-INIZCTEOSA-N 2 2 332.488 3.184 20 0 EGADLP CC(C)[N@H+](CCOCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208753487 1371884245 /nfs/dbraw/zinc/88/42/45/1371884245.db2.gz JZEGSBDFQMFHLW-UHFFFAOYSA-N 2 2 334.504 3.024 20 0 EGADLP CC(C)[N@@H+](CCOCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC001208753487 1371884248 /nfs/dbraw/zinc/88/42/48/1371884248.db2.gz JZEGSBDFQMFHLW-UHFFFAOYSA-N 2 2 334.504 3.024 20 0 EGADLP C[C@H](C[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889609 1371933738 /nfs/dbraw/zinc/93/37/38/1371933738.db2.gz ATGQGECAMQXCOF-BMFZPTHFSA-N 2 2 327.394 3.034 20 0 EGADLP C[C@H](C[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889609 1371933740 /nfs/dbraw/zinc/93/37/40/1371933740.db2.gz ATGQGECAMQXCOF-BMFZPTHFSA-N 2 2 327.394 3.034 20 0 EGADLP C[C@H](C[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889609 1371933742 /nfs/dbraw/zinc/93/37/42/1371933742.db2.gz ATGQGECAMQXCOF-BMFZPTHFSA-N 2 2 327.394 3.034 20 0 EGADLP C[C@H](C[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1)C(F)(F)F ZINC001208889609 1371933744 /nfs/dbraw/zinc/93/37/44/1371933744.db2.gz ATGQGECAMQXCOF-BMFZPTHFSA-N 2 2 327.394 3.034 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360201 1372077991 /nfs/dbraw/zinc/07/79/91/1372077991.db2.gz XRHJNQKSGLCERI-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360201 1372077993 /nfs/dbraw/zinc/07/79/93/1372077993.db2.gz XRHJNQKSGLCERI-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360201 1372077997 /nfs/dbraw/zinc/07/79/97/1372077997.db2.gz XRHJNQKSGLCERI-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001209360201 1372078003 /nfs/dbraw/zinc/07/80/03/1372078003.db2.gz XRHJNQKSGLCERI-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP Cc1n[nH]cc1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001209555429 1372136299 /nfs/dbraw/zinc/13/62/99/1372136299.db2.gz AXJSQCBCCUEXQD-UHFFFAOYSA-N 2 2 341.846 3.242 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001209715585 1372176747 /nfs/dbraw/zinc/17/67/47/1372176747.db2.gz WLNMJXIIOLBPFY-QGZVFWFLSA-N 2 2 346.471 3.264 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c1OCO2 ZINC001209715585 1372176752 /nfs/dbraw/zinc/17/67/52/1372176752.db2.gz WLNMJXIIOLBPFY-QGZVFWFLSA-N 2 2 346.471 3.264 20 0 EGADLP Cc1[nH+]cc(Nc2ccccc2OCC2CC[NH+](C)CC2)cc1N ZINC001210291658 1372314928 /nfs/dbraw/zinc/31/49/28/1372314928.db2.gz POLRDUBZAHLVEV-UHFFFAOYSA-N 2 2 326.444 3.436 20 0 EGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cccc(C[NH2+]C)c1 ZINC001211138063 1372489409 /nfs/dbraw/zinc/48/94/09/1372489409.db2.gz IVAPSJOWOWWEHP-UHFFFAOYSA-N 2 2 337.427 3.301 20 0 EGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3cccc(C[NH2+]C)c3)c2c1 ZINC001211136391 1372489441 /nfs/dbraw/zinc/48/94/41/1372489441.db2.gz GRAOTRAZYWCQQU-UHFFFAOYSA-N 2 2 335.407 3.296 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916506 1373141715 /nfs/dbraw/zinc/14/17/15/1373141715.db2.gz FIWAZIORJHGGKR-RTUSNTFBSA-N 2 2 346.519 3.263 20 0 EGADLP CC(C)C[NH2+]Cc1ccc(Nc2[nH+]cccc2N2CCOCC2)cc1 ZINC001215745098 1373235349 /nfs/dbraw/zinc/23/53/49/1373235349.db2.gz QLOSQYBFFXRASY-UHFFFAOYSA-N 2 2 340.471 3.407 20 0 EGADLP COC(=O)c1cccc2[nH+]cc(Nc3c[nH+]cn3Cc3ccccc3)n21 ZINC001216550589 1373315736 /nfs/dbraw/zinc/31/57/36/1373315736.db2.gz JSIIVXMCRUSXMT-UHFFFAOYSA-N 2 2 347.378 3.109 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3cccc4c[nH+]cn43)n2)c[nH+]1 ZINC001217589423 1373468861 /nfs/dbraw/zinc/46/88/61/1373468861.db2.gz QYILYBBWKHVMCV-UHFFFAOYSA-N 2 2 328.335 3.237 20 0 EGADLP CC(C)Oc1ccc(-c2nnc(-c3ccc([C@H]([NH3+])C[NH3+])cc3)o2)cc1 ZINC001217698722 1373490038 /nfs/dbraw/zinc/49/00/38/1373490038.db2.gz GGDQRDTWZJYCND-QGZVFWFLSA-N 2 2 338.411 3.149 20 0 EGADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC001218988854 1373674884 /nfs/dbraw/zinc/67/48/84/1373674884.db2.gz LWODRUBEJXWSAP-QGZVFWFLSA-N 2 2 345.406 3.067 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001222092976 1373817113 /nfs/dbraw/zinc/81/71/13/1373817113.db2.gz YZHVNSPUHBHSHV-IBGZPJMESA-N 2 2 344.503 3.134 20 0 EGADLP CC(C)CCC[NH+]1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001223800553 1375043259 /nfs/dbraw/zinc/04/32/59/1375043259.db2.gz YDKPIRRBBPRFRF-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024891 1375104461 /nfs/dbraw/zinc/10/44/61/1375104461.db2.gz JPAFASGLPWKJRK-WMZOPIPTSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024891 1375104465 /nfs/dbraw/zinc/10/44/65/1375104465.db2.gz JPAFASGLPWKJRK-WMZOPIPTSA-N 2 2 344.503 3.202 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025583 1375105268 /nfs/dbraw/zinc/10/52/68/1375105268.db2.gz RLKWPGCTLHEISQ-MBZYTVFJSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025583 1375105270 /nfs/dbraw/zinc/10/52/70/1375105270.db2.gz RLKWPGCTLHEISQ-MBZYTVFJSA-N 2 2 332.492 3.058 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125789 1375159802 /nfs/dbraw/zinc/15/98/02/1375159802.db2.gz YPWKQSLEAZKLGT-IRXDYDNUSA-N 2 2 334.508 3.086 20 0 EGADLP CCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125789 1375159805 /nfs/dbraw/zinc/15/98/05/1375159805.db2.gz YPWKQSLEAZKLGT-IRXDYDNUSA-N 2 2 334.508 3.086 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001226680412 1375306659 /nfs/dbraw/zinc/30/66/59/1375306659.db2.gz VRTNJOFFUGYALS-RTBURBONSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC001226680412 1375306666 /nfs/dbraw/zinc/30/66/66/1375306666.db2.gz VRTNJOFFUGYALS-RTBURBONSA-N 2 2 346.519 3.330 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132445577 1375390182 /nfs/dbraw/zinc/39/01/82/1375390182.db2.gz PRNGOMSETNMPCI-ZBFHGGJFSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132445577 1375390188 /nfs/dbraw/zinc/39/01/88/1375390188.db2.gz PRNGOMSETNMPCI-ZBFHGGJFSA-N 2 2 334.508 3.056 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC1CCCC1 ZINC001132546728 1375453300 /nfs/dbraw/zinc/45/33/00/1375453300.db2.gz QQLKYFUVBGIFMN-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC1CCCC1 ZINC001132546728 1375453304 /nfs/dbraw/zinc/45/33/04/1375453304.db2.gz QQLKYFUVBGIFMN-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132546807 1375453554 /nfs/dbraw/zinc/45/35/54/1375453554.db2.gz RVWBLFLDJUKPOL-ROUUACIJSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132546807 1375453556 /nfs/dbraw/zinc/45/35/56/1375453556.db2.gz RVWBLFLDJUKPOL-ROUUACIJSA-N 2 2 348.535 3.459 20 0 EGADLP COc1cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)ccc1C(F)(F)F ZINC001228555731 1375597171 /nfs/dbraw/zinc/59/71/71/1375597171.db2.gz IVCJUVSLAHRSGH-UHFFFAOYSA-N 2 2 328.378 3.432 20 0 EGADLP CCCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132982545 1375692924 /nfs/dbraw/zinc/69/29/24/1375692924.db2.gz SKHMINLABNKWLW-IRXDYDNUSA-N 2 2 342.487 3.212 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001132991915 1375698740 /nfs/dbraw/zinc/69/87/40/1375698740.db2.gz BCTZSCFGHVCPAV-IFXJQAMLSA-N 2 2 343.515 3.495 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229038447 1375748977 /nfs/dbraw/zinc/74/89/77/1375748977.db2.gz VJTKRQMBOKLTPD-RYCDSYRASA-N 2 2 346.519 3.352 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001229038447 1375748979 /nfs/dbraw/zinc/74/89/79/1375748979.db2.gz VJTKRQMBOKLTPD-RYCDSYRASA-N 2 2 346.519 3.352 20 0 EGADLP CCOc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1OC(=O)C(C)C ZINC001231555478 1376262945 /nfs/dbraw/zinc/26/29/45/1376262945.db2.gz OPHJAHBVJJJOSQ-UHFFFAOYSA-N 2 2 348.487 3.173 20 0 EGADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1OC(=O)C(C)C ZINC001231555478 1376262951 /nfs/dbraw/zinc/26/29/51/1376262951.db2.gz OPHJAHBVJJJOSQ-UHFFFAOYSA-N 2 2 348.487 3.173 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001231653384 1376293653 /nfs/dbraw/zinc/29/36/53/1376293653.db2.gz PYGKHVJHFJPKPV-HDICACEKSA-N 2 2 341.455 3.027 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cn1 ZINC001231653384 1376293662 /nfs/dbraw/zinc/29/36/62/1376293662.db2.gz PYGKHVJHFJPKPV-HDICACEKSA-N 2 2 341.455 3.027 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cn1 ZINC001231653384 1376293664 /nfs/dbraw/zinc/29/36/64/1376293664.db2.gz PYGKHVJHFJPKPV-HDICACEKSA-N 2 2 341.455 3.027 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cn1 ZINC001231653384 1376293673 /nfs/dbraw/zinc/29/36/73/1376293673.db2.gz PYGKHVJHFJPKPV-HDICACEKSA-N 2 2 341.455 3.027 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc(C)n1 ZINC001231996881 1376376368 /nfs/dbraw/zinc/37/63/68/1376376368.db2.gz IBKCDRTWNFTQHI-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnsc3)C[C@@H]21 ZINC001232228140 1376419320 /nfs/dbraw/zinc/41/93/20/1376419320.db2.gz MRHPNSXVIMQXCF-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnsc3)C[C@@H]21 ZINC001232228140 1376419323 /nfs/dbraw/zinc/41/93/23/1376419323.db2.gz MRHPNSXVIMQXCF-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnsc3)C[C@@H]21 ZINC001232228140 1376419326 /nfs/dbraw/zinc/41/93/26/1376419326.db2.gz MRHPNSXVIMQXCF-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnsc3)C[C@@H]21 ZINC001232228140 1376419329 /nfs/dbraw/zinc/41/93/29/1376419329.db2.gz MRHPNSXVIMQXCF-NZSAHSFTSA-N 2 2 342.512 3.271 20 0 EGADLP COCC[N@H+](Cc1cc(C)ccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001232396619 1376455544 /nfs/dbraw/zinc/45/55/44/1376455544.db2.gz CHWPLBHGPKVHOW-UHFFFAOYSA-N 2 2 334.504 3.325 20 0 EGADLP COCC[N@@H+](Cc1cc(C)ccc1OC(C)C)C1CC[NH+](C)CC1 ZINC001232396619 1376455546 /nfs/dbraw/zinc/45/55/46/1376455546.db2.gz CHWPLBHGPKVHOW-UHFFFAOYSA-N 2 2 334.504 3.325 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc(F)ccc4N)C[C@@H]3C2)cc1 ZINC001232508626 1376471814 /nfs/dbraw/zinc/47/18/14/1376471814.db2.gz OPUHCEYIXJBRSS-OALUTQOASA-N 2 2 339.458 3.280 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544983 1376585170 /nfs/dbraw/zinc/58/51/70/1376585170.db2.gz KONWHUCJPVODDR-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544983 1376585176 /nfs/dbraw/zinc/58/51/76/1376585176.db2.gz KONWHUCJPVODDR-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCC1CC1 ZINC001233227848 1376593346 /nfs/dbraw/zinc/59/33/46/1376593346.db2.gz DIFXAPQMNXVMGS-GOSISDBHSA-N 2 2 340.423 3.229 20 0 EGADLP Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCC1CC1 ZINC001233227848 1376593350 /nfs/dbraw/zinc/59/33/50/1376593350.db2.gz DIFXAPQMNXVMGS-GOSISDBHSA-N 2 2 340.423 3.229 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccsc2)c[nH+]1 ZINC001134729939 1376682479 /nfs/dbraw/zinc/68/24/79/1376682479.db2.gz QAFZVPXIWUOCGL-KBPBESRZSA-N 2 2 348.516 3.061 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001134743664 1376691932 /nfs/dbraw/zinc/69/19/32/1376691932.db2.gz AYPJDSGXFHDJRY-HZPDHXFCSA-N 2 2 346.519 3.300 20 0 EGADLP Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)ccc21 ZINC001235116420 1376847894 /nfs/dbraw/zinc/84/78/94/1376847894.db2.gz WFLWTGQRBZWSCO-QFIPXVFZSA-N 2 2 349.478 3.286 20 0 EGADLP Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)ccc21 ZINC001235116420 1376847898 /nfs/dbraw/zinc/84/78/98/1376847898.db2.gz WFLWTGQRBZWSCO-QFIPXVFZSA-N 2 2 349.478 3.286 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccns2)c(C)[nH+]1 ZINC001135042905 1376863692 /nfs/dbraw/zinc/86/36/92/1376863692.db2.gz DLOWHEONAAWNHZ-GXTWGEPZSA-N 2 2 346.500 3.150 20 0 EGADLP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097372 1376894123 /nfs/dbraw/zinc/89/41/23/1376894123.db2.gz MFESRRXRLUADFT-IAGOWNOFSA-N 2 2 342.487 3.405 20 0 EGADLP CC[C@@H]([NH3+])C[N@@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235885676 1376911691 /nfs/dbraw/zinc/91/16/91/1376911691.db2.gz WLRZDQIYSDOUTI-CYBMUJFWSA-N 2 2 338.908 3.199 20 0 EGADLP CC[C@@H]([NH3+])C[N@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC001235885676 1376911695 /nfs/dbraw/zinc/91/16/95/1376911695.db2.gz WLRZDQIYSDOUTI-CYBMUJFWSA-N 2 2 338.908 3.199 20 0 EGADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(Cc3c(F)cccc3Cl)CC2)O1 ZINC001235897141 1376912367 /nfs/dbraw/zinc/91/23/67/1376912367.db2.gz REFRLGYTMWMJRB-AWEZNQCLSA-N 2 2 340.870 3.458 20 0 EGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843775 1376965981 /nfs/dbraw/zinc/96/59/81/1376965981.db2.gz QXFSTAOHXJTXDF-MRXNPFEDSA-N 3 2 332.879 3.347 20 0 EGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843775 1376965989 /nfs/dbraw/zinc/96/59/89/1376965989.db2.gz QXFSTAOHXJTXDF-MRXNPFEDSA-N 3 2 332.879 3.347 20 0 EGADLP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001327266371 1388473796 /nfs/dbraw/zinc/47/37/96/1388473796.db2.gz YGRDBTZGHLWVOV-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001327266371 1388473800 /nfs/dbraw/zinc/47/38/00/1388473800.db2.gz YGRDBTZGHLWVOV-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC1)O2 ZINC001254529489 1377107360 /nfs/dbraw/zinc/10/73/60/1377107360.db2.gz MLERRLMPCZLQAK-QGZVFWFLSA-N 2 2 342.483 3.279 20 0 EGADLP Cc1ccc2c(c1)C(=O)CC1(CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC1)O2 ZINC001254529489 1377107361 /nfs/dbraw/zinc/10/73/61/1377107361.db2.gz MLERRLMPCZLQAK-QGZVFWFLSA-N 2 2 342.483 3.279 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100793 1377113392 /nfs/dbraw/zinc/11/33/92/1377113392.db2.gz FCDUAHOHEYEBQH-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100793 1377113394 /nfs/dbraw/zinc/11/33/94/1377113394.db2.gz FCDUAHOHEYEBQH-ZACQAIPSSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135580545 1377154639 /nfs/dbraw/zinc/15/46/39/1377154639.db2.gz PIMKAZQFUOMXFO-HUUCEWRRSA-N 2 2 334.508 3.042 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001135580542 1377154962 /nfs/dbraw/zinc/15/49/62/1377154962.db2.gz PIMKAZQFUOMXFO-CABCVRRESA-N 2 2 334.508 3.042 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840278 1377228404 /nfs/dbraw/zinc/22/84/04/1377228404.db2.gz GHIBOESBDAZGNV-HZPDHXFCSA-N 2 2 340.471 3.159 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136057065 1377317043 /nfs/dbraw/zinc/31/70/43/1377317043.db2.gz WDQURFGEPWKSJT-DLBZAZTESA-N 2 2 348.535 3.196 20 0 EGADLP Cc1ccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001136970027 1377447281 /nfs/dbraw/zinc/44/72/81/1377447281.db2.gz HCICUQUOLHUZFE-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001136970027 1377447284 /nfs/dbraw/zinc/44/72/84/1377447284.db2.gz HCICUQUOLHUZFE-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001136970027 1377447286 /nfs/dbraw/zinc/44/72/86/1377447286.db2.gz HCICUQUOLHUZFE-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001136970027 1377447288 /nfs/dbraw/zinc/44/72/88/1377447288.db2.gz HCICUQUOLHUZFE-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5ncccc5c4)C[C@@H]3C2)c1 ZINC001138107218 1377678253 /nfs/dbraw/zinc/67/82/53/1377678253.db2.gz MUEOZDGGNLZJTL-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP COC(=O)c1ccc2c(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001138269009 1377696131 /nfs/dbraw/zinc/69/61/31/1377696131.db2.gz QSSISITXXMLGRY-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP COC(=O)c1ccc2c(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC001138269009 1377696133 /nfs/dbraw/zinc/69/61/33/1377696133.db2.gz QSSISITXXMLGRY-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547917 1377739955 /nfs/dbraw/zinc/73/99/55/1377739955.db2.gz WMKBDNVLDWTBII-SFHVURJKSA-N 2 2 327.428 3.098 20 0 EGADLP CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547917 1377739958 /nfs/dbraw/zinc/73/99/58/1377739958.db2.gz WMKBDNVLDWTBII-SFHVURJKSA-N 2 2 327.428 3.098 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782178 1377784534 /nfs/dbraw/zinc/78/45/34/1377784534.db2.gz GZAGCUVMEPCHAS-BJLQDIEVSA-N 2 2 346.519 3.421 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782178 1377784538 /nfs/dbraw/zinc/78/45/38/1377784538.db2.gz GZAGCUVMEPCHAS-BJLQDIEVSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782178 1377784540 /nfs/dbraw/zinc/78/45/40/1377784540.db2.gz GZAGCUVMEPCHAS-BJLQDIEVSA-N 2 2 346.519 3.421 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccnn1[C@@H]1CCCCO1 ZINC001138782178 1377784544 /nfs/dbraw/zinc/78/45/44/1377784544.db2.gz GZAGCUVMEPCHAS-BJLQDIEVSA-N 2 2 346.519 3.421 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cnc2ccccc2n1 ZINC001138867621 1377797642 /nfs/dbraw/zinc/79/76/42/1377797642.db2.gz NGLNMIXJSVCXCL-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cnc2ccccc2n1 ZINC001138867621 1377797643 /nfs/dbraw/zinc/79/76/43/1377797643.db2.gz NGLNMIXJSVCXCL-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc(Oc4ncccn4)cc3)CC2)c[nH+]1 ZINC001139081772 1377826234 /nfs/dbraw/zinc/82/62/34/1377826234.db2.gz TUEHZIHIJLPOSI-UHFFFAOYSA-N 2 2 335.411 3.303 20 0 EGADLP COc1cc(O)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001139139924 1377837532 /nfs/dbraw/zinc/83/75/32/1377837532.db2.gz BZZHOUYCCZYZQH-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP COc1cc(O)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001139139924 1377837535 /nfs/dbraw/zinc/83/75/35/1377837535.db2.gz BZZHOUYCCZYZQH-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001139139924 1377837539 /nfs/dbraw/zinc/83/75/39/1377837539.db2.gz BZZHOUYCCZYZQH-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP COc1cc(O)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001139139924 1377837545 /nfs/dbraw/zinc/83/75/45/1377837545.db2.gz BZZHOUYCCZYZQH-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP Nc1ncc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC001139228715 1377856368 /nfs/dbraw/zinc/85/63/68/1377856368.db2.gz ATKFIYLZDKDEBS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC001139228715 1377856369 /nfs/dbraw/zinc/85/63/69/1377856369.db2.gz ATKFIYLZDKDEBS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC001139228715 1377856370 /nfs/dbraw/zinc/85/63/70/1377856370.db2.gz ATKFIYLZDKDEBS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC001139228715 1377856371 /nfs/dbraw/zinc/85/63/71/1377856371.db2.gz ATKFIYLZDKDEBS-LJQANCHMSA-N 2 2 342.512 3.213 20 0 EGADLP Cc1nccnc1O[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363528 1377874581 /nfs/dbraw/zinc/87/45/81/1377874581.db2.gz GCTQPTJHOMFWSK-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363528 1377874582 /nfs/dbraw/zinc/87/45/82/1377874582.db2.gz GCTQPTJHOMFWSK-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnc5cccnc5c4)C[C@@H]3C2)cc1 ZINC001139742159 1377944725 /nfs/dbraw/zinc/94/47/25/1377944725.db2.gz TUUIAMBZBWSMPX-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnc5cccnc5c4)C[C@@H]3C2)cc1 ZINC001139742159 1377944726 /nfs/dbraw/zinc/94/47/26/1377944726.db2.gz TUUIAMBZBWSMPX-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnc5cccnc5c4)C[C@@H]3C2)cc1 ZINC001139742159 1377944727 /nfs/dbraw/zinc/94/47/27/1377944727.db2.gz TUUIAMBZBWSMPX-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnc5cccnc5c4)C[C@@H]3C2)cc1 ZINC001139742159 1377944728 /nfs/dbraw/zinc/94/47/28/1377944728.db2.gz TUUIAMBZBWSMPX-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP C[C@@H]1CCCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139759354 1377947519 /nfs/dbraw/zinc/94/75/19/1377947519.db2.gz CUDFSICGJXCIIA-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@@H]1CCCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001139759354 1377947523 /nfs/dbraw/zinc/94/75/23/1377947523.db2.gz CUDFSICGJXCIIA-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763480 1377947848 /nfs/dbraw/zinc/94/78/48/1377947848.db2.gz OTYASGNKSQVOOW-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763480 1377947849 /nfs/dbraw/zinc/94/78/49/1377947849.db2.gz OTYASGNKSQVOOW-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835596 1377959750 /nfs/dbraw/zinc/95/97/50/1377959750.db2.gz DZTQFVPHGLHTIH-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835596 1377959752 /nfs/dbraw/zinc/95/97/52/1377959752.db2.gz DZTQFVPHGLHTIH-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835596 1377959754 /nfs/dbraw/zinc/95/97/54/1377959754.db2.gz DZTQFVPHGLHTIH-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835596 1377959755 /nfs/dbraw/zinc/95/97/55/1377959755.db2.gz DZTQFVPHGLHTIH-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC001139934052 1377979428 /nfs/dbraw/zinc/97/94/28/1377979428.db2.gz AJGJINNYQQENTK-UHFFFAOYSA-N 2 2 332.536 3.020 20 0 EGADLP O=C1N(CC2CCCC2)CC[C@@]12CCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272718115 1378080793 /nfs/dbraw/zinc/08/07/93/1378080793.db2.gz DHIMAIZZIVDBFK-NRFANRHFSA-N 2 2 347.547 3.120 20 0 EGADLP O=C1N(CC2CCCC2)CC[C@@]12CCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272718115 1378080797 /nfs/dbraw/zinc/08/07/97/1378080797.db2.gz DHIMAIZZIVDBFK-NRFANRHFSA-N 2 2 347.547 3.120 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140783849 1378135737 /nfs/dbraw/zinc/13/57/37/1378135737.db2.gz MIMSXNCIZLHIFM-IRXDYDNUSA-N 2 2 333.435 3.392 20 0 EGADLP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805851 1378143125 /nfs/dbraw/zinc/14/31/25/1378143125.db2.gz NVPCWFSICJUUGJ-XJKSGUPXSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805851 1378143126 /nfs/dbraw/zinc/14/31/26/1378143126.db2.gz NVPCWFSICJUUGJ-XJKSGUPXSA-N 2 2 344.459 3.441 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001275895367 1378161068 /nfs/dbraw/zinc/16/10/68/1378161068.db2.gz RBUVDCLINPZNNA-UHFFFAOYSA-N 3 2 338.499 3.489 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275895367 1378161072 /nfs/dbraw/zinc/16/10/72/1378161072.db2.gz RBUVDCLINPZNNA-UHFFFAOYSA-N 3 2 338.499 3.489 20 0 EGADLP CCCCc1[nH]c(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)c[nH+]1 ZINC001141068993 1378228185 /nfs/dbraw/zinc/22/81/85/1378228185.db2.gz RIMZLHAFQRLIDO-SFHVURJKSA-N 2 2 347.503 3.302 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(F)c1 ZINC001141191849 1378264028 /nfs/dbraw/zinc/26/40/28/1378264028.db2.gz CDCBTYBBRMTXCM-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(F)c1 ZINC001141191849 1378264033 /nfs/dbraw/zinc/26/40/33/1378264033.db2.gz CDCBTYBBRMTXCM-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(F)c1 ZINC001141191849 1378264037 /nfs/dbraw/zinc/26/40/37/1378264037.db2.gz CDCBTYBBRMTXCM-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(F)c1 ZINC001141191849 1378264041 /nfs/dbraw/zinc/26/40/41/1378264041.db2.gz CDCBTYBBRMTXCM-TZIWHRDSSA-N 2 2 346.490 3.314 20 0 EGADLP CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244284 1378281244 /nfs/dbraw/zinc/28/12/44/1378281244.db2.gz IAZKZZMLSWORDD-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244284 1378281247 /nfs/dbraw/zinc/28/12/47/1378281247.db2.gz IAZKZZMLSWORDD-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP COc1ccsc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141321148 1378301471 /nfs/dbraw/zinc/30/14/71/1378301471.db2.gz WZQSCVATYGRZDZ-GOSISDBHSA-N 2 2 338.517 3.080 20 0 EGADLP COc1ccsc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001141321148 1378301473 /nfs/dbraw/zinc/30/14/73/1378301473.db2.gz WZQSCVATYGRZDZ-GOSISDBHSA-N 2 2 338.517 3.080 20 0 EGADLP COc1ccsc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001141321148 1378301476 /nfs/dbraw/zinc/30/14/76/1378301476.db2.gz WZQSCVATYGRZDZ-GOSISDBHSA-N 2 2 338.517 3.080 20 0 EGADLP COc1ccsc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001141321148 1378301477 /nfs/dbraw/zinc/30/14/77/1378301477.db2.gz WZQSCVATYGRZDZ-GOSISDBHSA-N 2 2 338.517 3.080 20 0 EGADLP c1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441039 1378308440 /nfs/dbraw/zinc/30/84/40/1378308440.db2.gz ZCBUMNAPTBLVEB-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441039 1378308446 /nfs/dbraw/zinc/30/84/46/1378308446.db2.gz ZCBUMNAPTBLVEB-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441039 1378308453 /nfs/dbraw/zinc/30/84/53/1378308453.db2.gz ZCBUMNAPTBLVEB-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP c1c[nH]c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc4c[nH]nc4c2)C3)c1 ZINC001279441039 1378308460 /nfs/dbraw/zinc/30/84/60/1378308460.db2.gz ZCBUMNAPTBLVEB-OAQYLSRUSA-N 2 2 349.482 3.379 20 0 EGADLP Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1C[NH+](C)C ZINC001142007934 1378404126 /nfs/dbraw/zinc/40/41/26/1378404126.db2.gz IWTHTDBTKSTFNI-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5nccn5c4)C[C@@H]3C2)cc1 ZINC001143021285 1378527130 /nfs/dbraw/zinc/52/71/30/1378527130.db2.gz VJNOEFXVNUYUSZ-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5nccn5c4)C[C@@H]3C2)cc1 ZINC001143021285 1378527132 /nfs/dbraw/zinc/52/71/32/1378527132.db2.gz VJNOEFXVNUYUSZ-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5nccn5c4)C[C@@H]3C2)cc1 ZINC001143021285 1378527137 /nfs/dbraw/zinc/52/71/37/1378527137.db2.gz VJNOEFXVNUYUSZ-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5nccn5c4)C[C@@H]3C2)cc1 ZINC001143021285 1378527140 /nfs/dbraw/zinc/52/71/40/1378527140.db2.gz VJNOEFXVNUYUSZ-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP c1cn2cc(CN3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)ccc2[nH+]1 ZINC001143029428 1378529853 /nfs/dbraw/zinc/52/98/53/1378529853.db2.gz YYBYHYXAZMWGJQ-WOJBJXKFSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)ccc2[nH+]1 ZINC001143029428 1378529860 /nfs/dbraw/zinc/52/98/60/1378529860.db2.gz YYBYHYXAZMWGJQ-WOJBJXKFSA-N 2 2 332.451 3.041 20 0 EGADLP c1c2cccnc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001143222825 1378564007 /nfs/dbraw/zinc/56/40/07/1378564007.db2.gz DOYVZJSZIGMGGN-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2cccnc2[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001143222825 1378564010 /nfs/dbraw/zinc/56/40/10/1378564010.db2.gz DOYVZJSZIGMGGN-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2cccnc2[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001143222825 1378564015 /nfs/dbraw/zinc/56/40/15/1378564015.db2.gz DOYVZJSZIGMGGN-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2cccnc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001143222825 1378564018 /nfs/dbraw/zinc/56/40/18/1378564018.db2.gz DOYVZJSZIGMGGN-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP COc1ccc(F)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1F ZINC001143973564 1378664863 /nfs/dbraw/zinc/66/48/63/1378664863.db2.gz OBFYFFUUBHQFIG-UHFFFAOYSA-N 2 2 347.409 3.416 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001146474419 1378846423 /nfs/dbraw/zinc/84/64/23/1378846423.db2.gz USLDAYXQFGJOOT-HXUWFJFHSA-N 2 2 348.450 3.343 20 0 EGADLP Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706433 1378902935 /nfs/dbraw/zinc/90/29/35/1378902935.db2.gz FABPCXXCGFUECT-QZTJIDSGSA-N 2 2 342.487 3.045 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115183 1380023604 /nfs/dbraw/zinc/02/36/04/1380023604.db2.gz QIWKUGRNTNDIQY-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115183 1380023608 /nfs/dbraw/zinc/02/36/08/1380023608.db2.gz QIWKUGRNTNDIQY-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115225 1380024213 /nfs/dbraw/zinc/02/42/13/1380024213.db2.gz QZJOLSRIBJHEDH-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115225 1380024218 /nfs/dbraw/zinc/02/42/18/1380024218.db2.gz QZJOLSRIBJHEDH-CQSZACIVSA-N 2 2 348.878 3.023 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004751 1380175843 /nfs/dbraw/zinc/17/58/43/1380175843.db2.gz FCBDOPQQDSAVNS-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154004751 1380175846 /nfs/dbraw/zinc/17/58/46/1380175846.db2.gz FCBDOPQQDSAVNS-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315577 1380254831 /nfs/dbraw/zinc/25/48/31/1380254831.db2.gz XNFGKJMRLPPEIU-OAHLLOKOSA-N 2 2 342.487 3.211 20 0 EGADLP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315577 1380254833 /nfs/dbraw/zinc/25/48/33/1380254833.db2.gz XNFGKJMRLPPEIU-OAHLLOKOSA-N 2 2 342.487 3.211 20 0 EGADLP c1[nH+]cn(-c2nc(N3CCCC3)cc3ccccc32)c1C1CC[NH2+]CC1 ZINC001155064835 1380401538 /nfs/dbraw/zinc/40/15/38/1380401538.db2.gz ULIOPFRCIKKFBQ-UHFFFAOYSA-N 2 2 347.466 3.488 20 0 EGADLP CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522258 1380464135 /nfs/dbraw/zinc/46/41/35/1380464135.db2.gz SESZMBZMBPTOBM-HZPDHXFCSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522258 1380464136 /nfs/dbraw/zinc/46/41/36/1380464136.db2.gz SESZMBZMBPTOBM-HZPDHXFCSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@@H]3C[NH2+]Cc4ccsc43)nc[nH+]2)C1 ZINC001155566007 1380469316 /nfs/dbraw/zinc/46/93/16/1380469316.db2.gz XHCKILGTVLJPSX-GXTWGEPZSA-N 2 2 329.473 3.031 20 0 EGADLP COc1cccc(N(c2cccc(N(C)C)[nH+]2)C2CC[NH2+]CC2)c1 ZINC001155604672 1380472522 /nfs/dbraw/zinc/47/25/22/1380472522.db2.gz MGBPRMBXBGPUFE-UHFFFAOYSA-N 2 2 326.444 3.046 20 0 EGADLP Cc1[nH+]ccn1CCNc1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001156007378 1380512708 /nfs/dbraw/zinc/51/27/08/1380512708.db2.gz NUJSMJIXTIYGSY-UHFFFAOYSA-N 2 2 332.411 3.097 20 0 EGADLP C[C@H]1CCCN(c2cc(N3C(C)(C)CC([NH3+])CC3(C)C)nc[nH+]2)C1 ZINC001156774933 1380633203 /nfs/dbraw/zinc/63/32/03/1380633203.db2.gz KCUYQEYKHGWUJR-AWEZNQCLSA-N 2 2 331.508 3.198 20 0 EGADLP C[C@H]1CCCN(c2cc(N3C(C)(C)CC([NH3+])CC3(C)C)[nH+]cn2)C1 ZINC001156774933 1380633207 /nfs/dbraw/zinc/63/32/07/1380633207.db2.gz KCUYQEYKHGWUJR-AWEZNQCLSA-N 2 2 331.508 3.198 20 0 EGADLP Cc1[nH+]c(N)ccc1CNc1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001156981282 1380742486 /nfs/dbraw/zinc/74/24/86/1380742486.db2.gz XYFHVCOFWYQQBR-UHFFFAOYSA-N 2 2 344.422 3.377 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881024 1381058200 /nfs/dbraw/zinc/05/82/00/1381058200.db2.gz QLHSLIKWXQWVNL-DUMMIQTOSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881024 1381058206 /nfs/dbraw/zinc/05/82/06/1381058206.db2.gz QLHSLIKWXQWVNL-DUMMIQTOSA-N 2 2 346.519 3.402 20 0 EGADLP COc1cc(N2CCN(c3[nH+]c(C)cc4ccccc43)CC2)cc[nH+]1 ZINC001158099876 1381127590 /nfs/dbraw/zinc/12/75/90/1381127590.db2.gz QUQCMBLYXLSUBQ-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217278 1381162065 /nfs/dbraw/zinc/16/20/65/1381162065.db2.gz LVDSUZGZNHPTQI-QGZVFWFLSA-N 2 2 342.487 3.451 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217278 1381162069 /nfs/dbraw/zinc/16/20/69/1381162069.db2.gz LVDSUZGZNHPTQI-QGZVFWFLSA-N 2 2 342.487 3.451 20 0 EGADLP CC(=O)Nc1c(C)cc[nH+]c1N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001158487870 1381265122 /nfs/dbraw/zinc/26/51/22/1381265122.db2.gz QALDVIVYPKOOTO-UHFFFAOYSA-N 2 2 330.476 3.192 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158534559 1381285341 /nfs/dbraw/zinc/28/53/41/1381285341.db2.gz YOZUXMSKZLZCKR-ZWKOTPCHSA-N 2 2 332.492 3.113 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158534559 1381285347 /nfs/dbraw/zinc/28/53/47/1381285347.db2.gz YOZUXMSKZLZCKR-ZWKOTPCHSA-N 2 2 332.492 3.113 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794362 1381402790 /nfs/dbraw/zinc/40/27/90/1381402790.db2.gz PHWCURNKCYEDHQ-QGZVFWFLSA-N 2 2 334.508 3.154 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001158794362 1381402795 /nfs/dbraw/zinc/40/27/95/1381402795.db2.gz PHWCURNKCYEDHQ-QGZVFWFLSA-N 2 2 334.508 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H](C)CC(C)C ZINC001158794934 1381402888 /nfs/dbraw/zinc/40/28/88/1381402888.db2.gz WCNAVGZONHRQJB-FUHWJXTLSA-N 2 2 348.535 3.256 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC(C)C ZINC001158794934 1381402891 /nfs/dbraw/zinc/40/28/91/1381402891.db2.gz WCNAVGZONHRQJB-FUHWJXTLSA-N 2 2 348.535 3.256 20 0 EGADLP [NH3+][C@H]1CCc2nc(N=C3CCC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC001159133642 1381639486 /nfs/dbraw/zinc/63/94/86/1381639486.db2.gz DZHYVPZAVRUPMJ-HNNXBMFYSA-N 2 2 340.496 3.161 20 0 EGADLP [NH3+][C@H]1CCc2nc(N=C3CCC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC001159133642 1381639494 /nfs/dbraw/zinc/63/94/94/1381639494.db2.gz DZHYVPZAVRUPMJ-HNNXBMFYSA-N 2 2 340.496 3.161 20 0 EGADLP CCOC(=O)c1c(Nc2cc(C)[nH+]c(OC)c2)sc2c1CC[NH2+]C2 ZINC001159209514 1381731626 /nfs/dbraw/zinc/73/16/26/1381731626.db2.gz ZKTDUDNPCJBEKN-UHFFFAOYSA-N 2 2 347.440 3.026 20 0 EGADLP CC(C)n1c[nH+]c2cc(Nc3ccc(O[C@@H]4CC[NH2+]C4)nc3)ccc21 ZINC001159336681 1381768921 /nfs/dbraw/zinc/76/89/21/1381768921.db2.gz QRUBZWWPCLQDPR-MRXNPFEDSA-N 2 2 337.427 3.497 20 0 EGADLP C[NH+]1C(C)(C)CC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1(C)C ZINC001159395094 1381785359 /nfs/dbraw/zinc/78/53/59/1381785359.db2.gz CCPBLLMPTJVYPF-UHFFFAOYSA-N 2 2 349.548 3.093 20 0 EGADLP C[NH+]1C(C)(C)CC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1(C)C ZINC001159395094 1381785362 /nfs/dbraw/zinc/78/53/62/1381785362.db2.gz CCPBLLMPTJVYPF-UHFFFAOYSA-N 2 2 349.548 3.093 20 0 EGADLP c1cn(-c2ccccc2Nc2ccc(CN3CC[NH2+]CC3)cc2)c[nH+]1 ZINC001159448101 1381796868 /nfs/dbraw/zinc/79/68/68/1381796868.db2.gz RQFUENDFCWWNRZ-UHFFFAOYSA-N 2 2 333.439 3.021 20 0 EGADLP CC(C)(C[NH3+])c1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001159580542 1381835712 /nfs/dbraw/zinc/83/57/12/1381835712.db2.gz PLAWGYDRLNUTDX-UHFFFAOYSA-N 2 2 339.483 3.499 20 0 EGADLP COc1cc(N(c2c(N)cccc2F)C2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001160045523 1381979046 /nfs/dbraw/zinc/97/90/46/1381979046.db2.gz CILXNMVSMAUQDU-UHFFFAOYSA-N 2 2 330.407 3.010 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431451 1382102645 /nfs/dbraw/zinc/10/26/45/1382102645.db2.gz WPOVUHJCHQKKOE-GVKUHWBJSA-N 2 2 342.487 3.008 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431451 1382102651 /nfs/dbraw/zinc/10/26/51/1382102651.db2.gz WPOVUHJCHQKKOE-GVKUHWBJSA-N 2 2 342.487 3.008 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431451 1382102654 /nfs/dbraw/zinc/10/26/54/1382102654.db2.gz WPOVUHJCHQKKOE-GVKUHWBJSA-N 2 2 342.487 3.008 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431451 1382102657 /nfs/dbraw/zinc/10/26/57/1382102657.db2.gz WPOVUHJCHQKKOE-GVKUHWBJSA-N 2 2 342.487 3.008 20 0 EGADLP COc1cc2[nH+]c(C)nc(NCc3ccccc3C[NH3+])c2cc1OC ZINC001160907035 1382230071 /nfs/dbraw/zinc/23/00/71/1382230071.db2.gz HENXVRSOYSWTHE-UHFFFAOYSA-N 2 2 338.411 3.026 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001160992012 1382265962 /nfs/dbraw/zinc/26/59/62/1382265962.db2.gz PCQVLAJTBFACJW-JKSUJKDBSA-N 2 2 342.487 3.489 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1ccc2ccc(F)cc21 ZINC001293591263 1382309477 /nfs/dbraw/zinc/30/94/77/1382309477.db2.gz RIVBZTZPWKVLNF-UHFFFAOYSA-N 2 2 349.369 3.308 20 0 EGADLP Cc1cc(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC001161125718 1382309683 /nfs/dbraw/zinc/30/96/83/1382309683.db2.gz YGHABTQISHYVHZ-UHFFFAOYSA-N 2 2 332.492 3.400 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184420 1382330474 /nfs/dbraw/zinc/33/04/74/1382330474.db2.gz GZPLXMPIPFIRNH-NVXWUHKLSA-N 2 2 344.503 3.014 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184420 1382330478 /nfs/dbraw/zinc/33/04/78/1382330478.db2.gz GZPLXMPIPFIRNH-NVXWUHKLSA-N 2 2 344.503 3.014 20 0 EGADLP CC(C)(C)C[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC001161208699 1382341357 /nfs/dbraw/zinc/34/13/57/1382341357.db2.gz IIRDQNBNYPTQNL-UHFFFAOYSA-N 2 2 331.508 3.389 20 0 EGADLP CC(C)(C)C[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC001161208699 1382341361 /nfs/dbraw/zinc/34/13/61/1382341361.db2.gz IIRDQNBNYPTQNL-UHFFFAOYSA-N 2 2 331.508 3.389 20 0 EGADLP Cc1cc(NCC2CC[NH+](Cc3ccccn3)CC2)nc(C2CC2)[nH+]1 ZINC001161246732 1382354070 /nfs/dbraw/zinc/35/40/70/1382354070.db2.gz ZAEIAUJCWUKPDN-UHFFFAOYSA-N 2 2 337.471 3.382 20 0 EGADLP Cc1cc(NCC2(c3cccnc3)CC[NH2+]CC2)nc(C(C)(C)C)[nH+]1 ZINC001162040739 1382612075 /nfs/dbraw/zinc/61/20/75/1382612075.db2.gz ZJRWPORZPOTIAE-UHFFFAOYSA-N 2 2 339.487 3.211 20 0 EGADLP Cc1nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c(C)c(C)[nH+]1 ZINC001162197310 1382654653 /nfs/dbraw/zinc/65/46/53/1382654653.db2.gz DILSEWSTHIQLES-IYARVYRRSA-N 2 2 325.460 3.073 20 0 EGADLP O=C(NCCC[NH2+]CC/C=C\c1ccccc1)c1cccc2[nH+]ccn21 ZINC001162428097 1382756333 /nfs/dbraw/zinc/75/63/33/1382756333.db2.gz WIBRAECRDNLROI-WMZJFQQLSA-N 2 2 348.450 3.147 20 0 EGADLP CC(C)(C)OC(=O)Nc1cc(N2C[C@H]([NH3+])Cc3ccccc32)cc[nH+]1 ZINC001162850658 1382894966 /nfs/dbraw/zinc/89/49/66/1382894966.db2.gz SBSKDRFXXHXGBN-CQSZACIVSA-N 2 2 340.427 3.450 20 0 EGADLP Cc1ccc2c(c1)[C@H](Nc1ccn3cc(N)[nH+]c3c1)CC21CC[NH2+]CC1 ZINC001163033726 1382951928 /nfs/dbraw/zinc/95/19/28/1382951928.db2.gz IUTNRXJHNVBYKZ-GOSISDBHSA-N 2 2 347.466 3.403 20 0 EGADLP Cc1ccc2c(c1)[C@@H](Nc1ccn3cc(N)[nH+]c3c1)CC21CC[NH2+]CC1 ZINC001163033727 1382951975 /nfs/dbraw/zinc/95/19/75/1382951975.db2.gz IUTNRXJHNVBYKZ-SFHVURJKSA-N 2 2 347.466 3.403 20 0 EGADLP CCOC(=O)/C=C/c1ccc[nH+]c1NC1CCC(C[NH+](C)C)CC1 ZINC001163296254 1383014414 /nfs/dbraw/zinc/01/44/14/1383014414.db2.gz CXKDSRLMIKNPDU-FMIVXFBMSA-N 2 2 331.460 3.190 20 0 EGADLP Cc1ccc(-c2ccnc(NCC3([NH+](C)C)CC[NH+](C)CC3)c2)cc1 ZINC001164206775 1383165900 /nfs/dbraw/zinc/16/59/00/1383165900.db2.gz CIRMFFSYXDVSQI-UHFFFAOYSA-N 2 2 338.499 3.495 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1 ZINC001164492327 1383193104 /nfs/dbraw/zinc/19/31/04/1383193104.db2.gz JSKXYISUVIFGDE-YSIASYRMSA-N 2 2 336.483 3.470 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]c1 ZINC001164492327 1383193105 /nfs/dbraw/zinc/19/31/05/1383193105.db2.gz JSKXYISUVIFGDE-YSIASYRMSA-N 2 2 336.483 3.470 20 0 EGADLP CC[C@H](C)C[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164536436 1383197475 /nfs/dbraw/zinc/19/74/75/1383197475.db2.gz LNOCIPJACCFCJT-HNNXBMFYSA-N 2 2 342.487 3.179 20 0 EGADLP CC(C)c1nc(CN(C)c2cccc(N3CC[NH+](C)CC3)[nH+]2)cs1 ZINC001165137697 1383235442 /nfs/dbraw/zinc/23/54/42/1383235442.db2.gz WVLIJIVCFKJFCL-UHFFFAOYSA-N 2 2 345.516 3.050 20 0 EGADLP COc1ccc2c(cc(Cl)nc2-n2c(C)[nH+]c3c2CC[NH2+]CC3)c1 ZINC001165355767 1383281216 /nfs/dbraw/zinc/28/12/16/1383281216.db2.gz XSHKOZCDWXFFIH-UHFFFAOYSA-N 2 2 342.830 3.079 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)n1cc[nH+]c1 ZINC001165638583 1383318525 /nfs/dbraw/zinc/31/85/25/1383318525.db2.gz VUYCPDGKZRNKRA-SFHVURJKSA-N 2 2 346.519 3.147 20 0 EGADLP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001165749378 1383337988 /nfs/dbraw/zinc/33/79/88/1383337988.db2.gz AKKSXQTWYWRNRZ-UHFFFAOYSA-N 2 2 340.471 3.243 20 0 EGADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCC([NH3+])CC3)c12 ZINC001166664515 1383455693 /nfs/dbraw/zinc/45/56/93/1383455693.db2.gz PJWZKZQGDDVRKL-UHFFFAOYSA-N 2 2 335.455 3.024 20 0 EGADLP Cc1nc(N2CC3(CC[NH2+]CC3)c3ccccc32)cc(N2CCCC2)[nH+]1 ZINC001167070068 1383532451 /nfs/dbraw/zinc/53/24/51/1383532451.db2.gz GMIZBMLKHRQJRR-UHFFFAOYSA-N 2 2 349.482 3.158 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348116 1383605540 /nfs/dbraw/zinc/60/55/40/1383605540.db2.gz CBFTUEIEGVJDNY-KRWDZBQOSA-N 2 2 334.508 3.291 20 0 EGADLP C[C@H](CC(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001167348070 1383605729 /nfs/dbraw/zinc/60/57/29/1383605729.db2.gz ANHFAXPGWRUUCF-MRXNPFEDSA-N 2 2 334.508 3.147 20 0 EGADLP CC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348563 1383606467 /nfs/dbraw/zinc/60/64/67/1383606467.db2.gz MHLRFVTUVFJKPU-BDUNBXCCSA-N 2 2 332.492 3.067 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001167532578 1383659428 /nfs/dbraw/zinc/65/94/28/1383659428.db2.gz UJBAVJAGQBXIJP-SJORKVTESA-N 2 2 346.519 3.045 20 0 EGADLP C[NH+](C)Cc1nc(CSCCNc2ccc3c(c2)C[NH2+]C3)cs1 ZINC001168109033 1383818453 /nfs/dbraw/zinc/81/84/53/1383818453.db2.gz XZMHYEHLIPMIIM-UHFFFAOYSA-N 2 2 348.541 3.153 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)C2 ZINC001168242324 1383851905 /nfs/dbraw/zinc/85/19/05/1383851905.db2.gz YIXARNRUCKTXQG-IBGZPJMESA-N 2 2 337.467 3.064 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168295140 1383865752 /nfs/dbraw/zinc/86/57/52/1383865752.db2.gz VUZBMWQNUALAKG-UHFFFAOYSA-N 3 2 345.531 3.122 20 0 EGADLP C[NH+](C)C1CCC([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001168313985 1383870990 /nfs/dbraw/zinc/87/09/90/1383870990.db2.gz HSWUMMXBAGGVFI-UHFFFAOYSA-N 3 2 329.532 3.456 20 0 EGADLP C[NH+](C)C1CCC([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001168313985 1383870991 /nfs/dbraw/zinc/87/09/91/1383870991.db2.gz HSWUMMXBAGGVFI-UHFFFAOYSA-N 3 2 329.532 3.456 20 0 EGADLP Fc1ccccc1Cn1cncc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168365769 1383884511 /nfs/dbraw/zinc/88/45/11/1383884511.db2.gz WNBNGRNVNZRSMH-UHFFFAOYSA-N 2 2 342.462 3.035 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC001168365660 1383884865 /nfs/dbraw/zinc/88/48/65/1383884865.db2.gz CMKYKBVOVGTYNW-UHFFFAOYSA-N 2 2 336.863 3.091 20 0 EGADLP COc1ccc([C@@H]2C[C@@H](n3cc[nH+]c3[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC001168664893 1383963549 /nfs/dbraw/zinc/96/35/49/1383963549.db2.gz KOWGSZLSXVEOQE-AOIWGVFYSA-N 2 2 341.455 3.452 20 0 EGADLP COC(=O)C1(C)CCC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001168780294 1384002464 /nfs/dbraw/zinc/00/24/64/1384002464.db2.gz PIXAABPANLDHAX-UHFFFAOYSA-N 2 2 348.531 3.449 20 0 EGADLP COC(=O)C1(C)CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001168780294 1384002469 /nfs/dbraw/zinc/00/24/69/1384002469.db2.gz PIXAABPANLDHAX-UHFFFAOYSA-N 2 2 348.531 3.449 20 0 EGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC001307705242 1384016782 /nfs/dbraw/zinc/01/67/82/1384016782.db2.gz GWYGJSMSMLUAJG-UWJYYQICSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC001307705242 1384016786 /nfs/dbraw/zinc/01/67/86/1384016786.db2.gz GWYGJSMSMLUAJG-UWJYYQICSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC001307705235 1384017391 /nfs/dbraw/zinc/01/73/91/1384017391.db2.gz GWYGJSMSMLUAJG-DYESRHJHSA-N 2 2 339.483 3.481 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC001307705235 1384017395 /nfs/dbraw/zinc/01/73/95/1384017395.db2.gz GWYGJSMSMLUAJG-DYESRHJHSA-N 2 2 339.483 3.481 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)n1)C2 ZINC001169119350 1384109542 /nfs/dbraw/zinc/10/95/42/1384109542.db2.gz RSUSMEVZJWPFCQ-PHZGNYQRSA-N 2 2 346.475 3.143 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)n1)C2 ZINC001169119350 1384109544 /nfs/dbraw/zinc/10/95/44/1384109544.db2.gz RSUSMEVZJWPFCQ-PHZGNYQRSA-N 2 2 346.475 3.143 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)cs2)cc1 ZINC001308262116 1384114110 /nfs/dbraw/zinc/11/41/10/1384114110.db2.gz ZKJCQISTLZJZFK-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC001308262116 1384114111 /nfs/dbraw/zinc/11/41/11/1384114111.db2.gz ZKJCQISTLZJZFK-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001169147595 1384114894 /nfs/dbraw/zinc/11/48/94/1384114894.db2.gz VCVCZWUGGBRBOZ-BWTSREIZSA-N 2 2 342.483 3.215 20 0 EGADLP COc1ccc(C(=O)C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001169147595 1384114896 /nfs/dbraw/zinc/11/48/96/1384114896.db2.gz VCVCZWUGGBRBOZ-BWTSREIZSA-N 2 2 342.483 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383919 1384123196 /nfs/dbraw/zinc/12/31/96/1384123196.db2.gz APPGKYSTYQOPDI-UYAOXDASSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383919 1384123198 /nfs/dbraw/zinc/12/31/98/1384123198.db2.gz APPGKYSTYQOPDI-UYAOXDASSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC001308383919 1384123201 /nfs/dbraw/zinc/12/32/01/1384123201.db2.gz APPGKYSTYQOPDI-UYAOXDASSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC001308383919 1384123202 /nfs/dbraw/zinc/12/32/02/1384123202.db2.gz APPGKYSTYQOPDI-UYAOXDASSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383914 1384123305 /nfs/dbraw/zinc/12/33/05/1384123305.db2.gz APPGKYSTYQOPDI-AZUAARDMSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383914 1384123307 /nfs/dbraw/zinc/12/33/07/1384123307.db2.gz APPGKYSTYQOPDI-AZUAARDMSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC001308383914 1384123309 /nfs/dbraw/zinc/12/33/09/1384123309.db2.gz APPGKYSTYQOPDI-AZUAARDMSA-N 2 2 329.532 3.219 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC001308383914 1384123311 /nfs/dbraw/zinc/12/33/11/1384123311.db2.gz APPGKYSTYQOPDI-AZUAARDMSA-N 2 2 329.532 3.219 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)OC ZINC001308424779 1384125334 /nfs/dbraw/zinc/12/53/34/1384125334.db2.gz WITXWEKNDZEBMS-HNNXBMFYSA-N 2 2 337.851 3.130 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306179 1384134402 /nfs/dbraw/zinc/13/44/02/1384134402.db2.gz WQHTZBNIQDTZER-FVELJTHGSA-N 2 2 342.483 3.181 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306179 1384134403 /nfs/dbraw/zinc/13/44/03/1384134403.db2.gz WQHTZBNIQDTZER-FVELJTHGSA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306179 1384134405 /nfs/dbraw/zinc/13/44/05/1384134405.db2.gz WQHTZBNIQDTZER-FVELJTHGSA-N 2 2 342.483 3.181 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(OC(=O)c4ccccc4)CC3)C[C@@H]21 ZINC001169306179 1384134407 /nfs/dbraw/zinc/13/44/07/1384134407.db2.gz WQHTZBNIQDTZER-FVELJTHGSA-N 2 2 342.483 3.181 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023066 1384220452 /nfs/dbraw/zinc/22/04/52/1384220452.db2.gz PYJIVFGIRJPECG-KRWDZBQOSA-N 2 2 342.487 3.264 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001170449270 1384321837 /nfs/dbraw/zinc/32/18/37/1384321837.db2.gz LORFQDDWWRAHAZ-HOTGVXAUSA-N 2 2 327.428 3.273 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170472925 1384326741 /nfs/dbraw/zinc/32/67/41/1384326741.db2.gz QXUBTMLUQAGREG-ADKAHSJRSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482173 1384327073 /nfs/dbraw/zinc/32/70/73/1384327073.db2.gz BQXQVYQBKFRPCF-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3C)CC2)C1 ZINC001170525254 1384335572 /nfs/dbraw/zinc/33/55/72/1384335572.db2.gz RIULSRSBZNMGAF-QAPCUYQASA-N 2 2 348.462 3.030 20 0 EGADLP CCCCCC[C@H](CC)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001170590996 1384346915 /nfs/dbraw/zinc/34/69/15/1384346915.db2.gz QGXFUMJDSFFERK-JYJNAYRXSA-N 2 2 327.513 3.272 20 0 EGADLP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001170679965 1384363922 /nfs/dbraw/zinc/36/39/22/1384363922.db2.gz NTYWLAKNRPEKEB-HNNXBMFYSA-N 2 2 344.422 3.199 20 0 EGADLP CC1(C)[C@@H]2C[C@H](N(c3cccc[nH+]3)[C@@H]3COC4(C3)CC[NH2+]CC4)C[C@@H]21 ZINC001170749452 1384377557 /nfs/dbraw/zinc/37/75/57/1384377557.db2.gz FIANYDDPMOWHGX-FJIDUMEYSA-N 2 2 341.499 3.234 20 0 EGADLP CCN(C)c1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc[nH+]1 ZINC001170754468 1384380164 /nfs/dbraw/zinc/38/01/64/1384380164.db2.gz XAUKQSZKNPNUCZ-SFHVURJKSA-N 2 2 339.487 3.052 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl)ccn12 ZINC001170784992 1384384746 /nfs/dbraw/zinc/38/47/46/1384384746.db2.gz LGHUGRCOVOBCBC-LHRNQBEKSA-N 2 2 348.878 3.273 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170844990 1384397072 /nfs/dbraw/zinc/39/70/72/1384397072.db2.gz OGJQAEFNIVPRJF-IRXDYDNUSA-N 2 2 337.305 3.380 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170844990 1384397079 /nfs/dbraw/zinc/39/70/79/1384397079.db2.gz OGJQAEFNIVPRJF-IRXDYDNUSA-N 2 2 337.305 3.380 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360492 1384501711 /nfs/dbraw/zinc/50/17/11/1384501711.db2.gz ZWVFSAMXWCVVFB-GVDBMIGSSA-N 2 2 334.508 3.358 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360492 1384501713 /nfs/dbraw/zinc/50/17/13/1384501713.db2.gz ZWVFSAMXWCVVFB-GVDBMIGSSA-N 2 2 334.508 3.358 20 0 EGADLP Fc1cc2c(cc1F)C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001171461109 1384529187 /nfs/dbraw/zinc/52/91/87/1384529187.db2.gz VZWPMCQLIXLUCV-QGZVFWFLSA-N 2 2 343.421 3.476 20 0 EGADLP C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525855 1384551104 /nfs/dbraw/zinc/55/11/04/1384551104.db2.gz DVZKYZDEDFMISH-ZIAGYGMSSA-N 2 2 334.439 3.189 20 0 EGADLP Cc1cccc2c1CC[C@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566303 1384565679 /nfs/dbraw/zinc/56/56/79/1384565679.db2.gz HWVHAUQMQPJCRE-VWPQPMDRSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566303 1384565684 /nfs/dbraw/zinc/56/56/84/1384565684.db2.gz HWVHAUQMQPJCRE-VWPQPMDRSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566303 1384565687 /nfs/dbraw/zinc/56/56/87/1384565687.db2.gz HWVHAUQMQPJCRE-VWPQPMDRSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566303 1384565691 /nfs/dbraw/zinc/56/56/91/1384565691.db2.gz HWVHAUQMQPJCRE-VWPQPMDRSA-N 2 2 347.506 3.311 20 0 EGADLP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784216 1384634696 /nfs/dbraw/zinc/63/46/96/1384634696.db2.gz KPUWZUORRSXUPE-MRXNPFEDSA-N 2 2 348.466 3.352 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896442 1384673926 /nfs/dbraw/zinc/67/39/26/1384673926.db2.gz OHFJOWDYVORSKG-QGZVFWFLSA-N 2 2 346.519 3.118 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCOc2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171978121 1384702796 /nfs/dbraw/zinc/70/27/96/1384702796.db2.gz IUPGJTSTGHZNDR-LJQANCHMSA-N 3 2 339.483 3.493 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCOc2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001171978121 1384702799 /nfs/dbraw/zinc/70/27/99/1384702799.db2.gz IUPGJTSTGHZNDR-LJQANCHMSA-N 3 2 339.483 3.493 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CC12CCCCC2 ZINC001172049137 1384713020 /nfs/dbraw/zinc/71/30/20/1384713020.db2.gz NLHGVGGSILMRDO-JKSUJKDBSA-N 2 2 337.508 3.122 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CC12CCCCC2 ZINC001172049137 1384713022 /nfs/dbraw/zinc/71/30/22/1384713022.db2.gz NLHGVGGSILMRDO-JKSUJKDBSA-N 2 2 337.508 3.122 20 0 EGADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172075619 1384720112 /nfs/dbraw/zinc/72/01/12/1384720112.db2.gz CLKMLDVQPSTNLU-OWZKRDHZSA-N 3 2 338.499 3.138 20 0 EGADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075619 1384720116 /nfs/dbraw/zinc/72/01/16/1384720116.db2.gz CLKMLDVQPSTNLU-OWZKRDHZSA-N 3 2 338.499 3.138 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ncc(Br)s1)C2 ZINC001172110413 1384729827 /nfs/dbraw/zinc/72/98/27/1384729827.db2.gz MNSPJIUUTMRMRV-JGPRNRPPSA-N 2 2 330.295 3.011 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ncc(Br)s1)C2 ZINC001172110413 1384729832 /nfs/dbraw/zinc/72/98/32/1384729832.db2.gz MNSPJIUUTMRMRV-JGPRNRPPSA-N 2 2 330.295 3.011 20 0 EGADLP Cc1cccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172113742 1384731407 /nfs/dbraw/zinc/73/14/07/1384731407.db2.gz JWMOTCLENMFODZ-XSDIEEQYSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1cccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172113742 1384731408 /nfs/dbraw/zinc/73/14/08/1384731408.db2.gz JWMOTCLENMFODZ-XSDIEEQYSA-N 2 2 327.516 3.174 20 0 EGADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127360 1384736433 /nfs/dbraw/zinc/73/64/33/1384736433.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 3 2 341.543 3.456 20 0 EGADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127360 1384736435 /nfs/dbraw/zinc/73/64/35/1384736435.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127360 1384736438 /nfs/dbraw/zinc/73/64/38/1384736438.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127360 1384736440 /nfs/dbraw/zinc/73/64/40/1384736440.db2.gz IPYOTYDJGJFEHO-FNAHDJPLSA-N 3 2 341.543 3.456 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133709 1384738854 /nfs/dbraw/zinc/73/88/54/1384738854.db2.gz UQPSADSWBXHDGV-MHORFTMASA-N 2 2 341.490 3.197 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133709 1384738859 /nfs/dbraw/zinc/73/88/59/1384738859.db2.gz UQPSADSWBXHDGV-MHORFTMASA-N 2 2 341.490 3.197 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001172248816 1384755839 /nfs/dbraw/zinc/75/58/39/1384755839.db2.gz AZMFINCWYXHGOK-QGZVFWFLSA-N 2 2 338.879 3.254 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001317002090 1384760402 /nfs/dbraw/zinc/76/04/02/1384760402.db2.gz LJDQBUXSPPYVIG-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452726 1384795606 /nfs/dbraw/zinc/79/56/06/1384795606.db2.gz UXVFOIMKCQFHEM-ULQDDVLXSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172452726 1384795607 /nfs/dbraw/zinc/79/56/07/1384795607.db2.gz UXVFOIMKCQFHEM-ULQDDVLXSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172452726 1384795610 /nfs/dbraw/zinc/79/56/10/1384795610.db2.gz UXVFOIMKCQFHEM-ULQDDVLXSA-N 2 2 337.533 3.243 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172452726 1384795612 /nfs/dbraw/zinc/79/56/12/1384795612.db2.gz UXVFOIMKCQFHEM-ULQDDVLXSA-N 2 2 337.533 3.243 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621804 1384820952 /nfs/dbraw/zinc/82/09/52/1384820952.db2.gz IQLLTSGQPJWCNA-FUHWJXTLSA-N 2 2 327.428 3.036 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621804 1384820956 /nfs/dbraw/zinc/82/09/56/1384820956.db2.gz IQLLTSGQPJWCNA-FUHWJXTLSA-N 2 2 327.428 3.036 20 0 EGADLP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC2)c1 ZINC001172754945 1384843853 /nfs/dbraw/zinc/84/38/53/1384843853.db2.gz ZRHKZGWMBCPSTP-INIZCTEOSA-N 2 2 348.487 3.065 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172752160 1384844432 /nfs/dbraw/zinc/84/44/32/1384844432.db2.gz MWMDJBKKNNHLSH-MJGOQNOKSA-N 2 2 332.488 3.361 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172752160 1384844440 /nfs/dbraw/zinc/84/44/40/1384844440.db2.gz MWMDJBKKNNHLSH-MJGOQNOKSA-N 2 2 332.488 3.361 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001172776685 1384849635 /nfs/dbraw/zinc/84/96/35/1384849635.db2.gz MEVPZFXJOJYNBR-ROUUACIJSA-N 2 2 345.487 3.010 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172819006 1384858420 /nfs/dbraw/zinc/85/84/20/1384858420.db2.gz ZHSBGSHBHVFSMT-JWTNVVGKSA-N 2 2 349.519 3.109 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172819006 1384858424 /nfs/dbraw/zinc/85/84/24/1384858424.db2.gz ZHSBGSHBHVFSMT-JWTNVVGKSA-N 2 2 349.519 3.109 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CCn3cc(C(F)(F)F)nc3C2)CC1 ZINC001173112393 1384916822 /nfs/dbraw/zinc/91/68/22/1384916822.db2.gz XJDMUICRMCWJIW-UHFFFAOYSA-N 2 2 344.425 3.371 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CCn3cc(C(F)(F)F)nc3C2)CC1 ZINC001173112393 1384916826 /nfs/dbraw/zinc/91/68/26/1384916826.db2.gz XJDMUICRMCWJIW-UHFFFAOYSA-N 2 2 344.425 3.371 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173113255 1384917574 /nfs/dbraw/zinc/91/75/74/1384917574.db2.gz IRJMZKRFRBGZFQ-CTWPCTMYSA-N 3 2 331.504 3.496 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173113255 1384917579 /nfs/dbraw/zinc/91/75/79/1384917579.db2.gz IRJMZKRFRBGZFQ-CTWPCTMYSA-N 3 2 331.504 3.496 20 0 EGADLP C[C@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001173539758 1384980600 /nfs/dbraw/zinc/98/06/00/1384980600.db2.gz RPBAKXGLBCSDOI-GFCCVEGCSA-N 2 2 343.302 3.086 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([N@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001173627159 1384991290 /nfs/dbraw/zinc/99/12/90/1384991290.db2.gz NQCPATDZELSGFE-IPCDKGFNSA-N 2 2 336.520 3.303 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C(C)C)C1CC[NH+](C)CC1)CC2 ZINC001173627159 1384991293 /nfs/dbraw/zinc/99/12/93/1384991293.db2.gz NQCPATDZELSGFE-IPCDKGFNSA-N 2 2 336.520 3.303 20 0 EGADLP Brc1ccc2[nH+]cc(Nc3ccc4[nH+]ccn4c3)n2c1 ZINC001174277091 1385090551 /nfs/dbraw/zinc/09/05/51/1385090551.db2.gz ICSXWYJNOCQERL-UHFFFAOYSA-N 2 2 328.173 3.488 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]Cc2cnccc2C)c(C)[nH+]1 ZINC001317402711 1385116866 /nfs/dbraw/zinc/11/68/66/1385116866.db2.gz ZQLKCAKCBVIIIZ-OAHLLOKOSA-N 2 2 340.471 3.008 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC001174683140 1385133838 /nfs/dbraw/zinc/13/38/38/1385133838.db2.gz OTIJFDRFVYDDCD-HNNXBMFYSA-N 2 2 342.487 3.241 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317525174 1385245164 /nfs/dbraw/zinc/24/51/64/1385245164.db2.gz DNADOAXIUCKKJR-OAHLLOKOSA-N 2 2 342.487 3.441 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317525174 1385245170 /nfs/dbraw/zinc/24/51/70/1385245170.db2.gz DNADOAXIUCKKJR-OAHLLOKOSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175478566 1385305864 /nfs/dbraw/zinc/30/58/64/1385305864.db2.gz LHQUOEGFJZZPRL-CQSZACIVSA-N 2 2 348.878 3.070 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1)n1cc[nH+]c1 ZINC001175502381 1385312685 /nfs/dbraw/zinc/31/26/85/1385312685.db2.gz IEZJOKPHMGLXSI-DLBZAZTESA-N 2 2 334.508 3.289 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638757 1385360370 /nfs/dbraw/zinc/36/03/70/1385360370.db2.gz TUOVSEDVGHPMNC-CVEARBPZSA-N 2 2 336.524 3.289 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638757 1385360375 /nfs/dbraw/zinc/36/03/75/1385360375.db2.gz TUOVSEDVGHPMNC-CVEARBPZSA-N 2 2 336.524 3.289 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001317680541 1385389626 /nfs/dbraw/zinc/38/96/26/1385389626.db2.gz DWQVLEDTOCAHBB-JKSUJKDBSA-N 2 2 348.535 3.160 20 0 EGADLP C[NH+](C)CCNC(=O)c1ccc(Nc2cccc3cc[nH+]cc32)cc1 ZINC001175810592 1385411944 /nfs/dbraw/zinc/41/19/44/1385411944.db2.gz ZICOWVQABPPFGX-UHFFFAOYSA-N 2 2 334.423 3.270 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001318631491 1385805501 /nfs/dbraw/zinc/80/55/01/1385805501.db2.gz HFOGLPSPZMIGPE-AWEZNQCLSA-N 2 2 333.505 3.064 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H]([NH2+]C/C=C/Cl)CC3)ccn12 ZINC001318953801 1385894853 /nfs/dbraw/zinc/89/48/53/1385894853.db2.gz UYEJKOCAHBFUEO-MZDFDZRXSA-N 2 2 346.862 3.026 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177353032 1385925717 /nfs/dbraw/zinc/92/57/17/1385925717.db2.gz QYGRWBXJIFINAA-UHFFFAOYSA-N 2 2 346.450 3.145 20 0 EGADLP CC[C@@]1([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CCOC1 ZINC001178640176 1386266548 /nfs/dbraw/zinc/26/65/48/1386266548.db2.gz OELQAZLHEZNKTC-GOSISDBHSA-N 2 2 349.862 3.274 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649387 1386268750 /nfs/dbraw/zinc/26/87/50/1386268750.db2.gz FFBPOAJIJIJHAC-QGZVFWFLSA-N 2 2 336.524 3.291 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649387 1386268754 /nfs/dbraw/zinc/26/87/54/1386268754.db2.gz FFBPOAJIJIJHAC-QGZVFWFLSA-N 2 2 336.524 3.291 20 0 EGADLP CC1(C)CC(C[NH2+]CCCCCCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001178649482 1386269262 /nfs/dbraw/zinc/26/92/62/1386269262.db2.gz LLXYWSNKJJFPAB-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP CC1(C)CC(C[NH2+]CCCCCCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001178649482 1386269263 /nfs/dbraw/zinc/26/92/63/1386269263.db2.gz LLXYWSNKJJFPAB-UHFFFAOYSA-N 2 2 334.508 3.045 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957122 1386360316 /nfs/dbraw/zinc/36/03/16/1386360316.db2.gz NEFMULYRZTYXMI-YTQUADARSA-N 2 2 348.535 3.486 20 0 EGADLP C[N@H+](CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)CC1CCCCC1 ZINC001319888328 1386363585 /nfs/dbraw/zinc/36/35/85/1386363585.db2.gz NZVSGAJESGOZAV-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)CC1CCCCC1 ZINC001319888328 1386363589 /nfs/dbraw/zinc/36/35/89/1386363589.db2.gz NZVSGAJESGOZAV-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009339 1386375258 /nfs/dbraw/zinc/37/52/58/1386375258.db2.gz FVEFSTBJTSQFBG-UHFFFAOYSA-N 2 2 330.476 3.404 20 0 EGADLP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001179245306 1386430467 /nfs/dbraw/zinc/43/04/67/1386430467.db2.gz YLWXPEUMLQMIMZ-BXWFABGCSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001320055284 1386478374 /nfs/dbraw/zinc/47/83/74/1386478374.db2.gz MOMFIMUSTSETAH-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1)n1cc[nH+]c1 ZINC001320055284 1386478377 /nfs/dbraw/zinc/47/83/77/1386478377.db2.gz MOMFIMUSTSETAH-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC001321729753 1386967749 /nfs/dbraw/zinc/96/77/49/1386967749.db2.gz USUGLASXXIQTQO-UHFFFAOYSA-N 2 2 345.362 3.082 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001182316853 1387147449 /nfs/dbraw/zinc/14/74/49/1387147449.db2.gz OTRRIEQMISYHTM-GOSISDBHSA-N 2 2 348.450 3.493 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC001182316853 1387147456 /nfs/dbraw/zinc/14/74/56/1387147456.db2.gz OTRRIEQMISYHTM-GOSISDBHSA-N 2 2 348.450 3.493 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)cc2)[nH+]c1C ZINC001337068243 1389247860 /nfs/dbraw/zinc/24/78/60/1389247860.db2.gz DOIJQRCXHRXDBP-HNNXBMFYSA-N 2 2 326.444 3.412 20 0 EGADLP CCOc1cncc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001331343953 1389710830 /nfs/dbraw/zinc/71/08/30/1389710830.db2.gz LPJSTZNENWMZNY-KRWDZBQOSA-N 2 2 326.444 3.260 20 0 EGADLP CCOc1cncc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001331343953 1389710833 /nfs/dbraw/zinc/71/08/33/1389710833.db2.gz LPJSTZNENWMZNY-KRWDZBQOSA-N 2 2 326.444 3.260 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001339093816 1389897470 /nfs/dbraw/zinc/89/74/70/1389897470.db2.gz LTEADCXERMTDMT-UHFFFAOYSA-N 3 2 343.475 3.416 20 0 EGADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333681284 1390373556 /nfs/dbraw/zinc/37/35/56/1390373556.db2.gz MEYWRJYUBBTKPN-MRXNPFEDSA-N 2 2 345.443 3.085 20 0 EGADLP COCCOc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333681284 1390373560 /nfs/dbraw/zinc/37/35/60/1390373560.db2.gz MEYWRJYUBBTKPN-MRXNPFEDSA-N 2 2 345.443 3.085 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)c2ccc3c[nH+]cn3c2C)n1 ZINC001334164854 1390492438 /nfs/dbraw/zinc/49/24/38/1390492438.db2.gz UUKCCKYPPSBSMI-UHFFFAOYSA-N 2 2 343.456 3.193 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCOc2ccccc2F)[nH+]1 ZINC001335059466 1390636481 /nfs/dbraw/zinc/63/64/81/1390636481.db2.gz GSIHQFMVGPXNIG-MRXNPFEDSA-N 2 2 329.419 3.484 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCOc2ccccc2F)[nH+]1 ZINC001335059466 1390636484 /nfs/dbraw/zinc/63/64/84/1390636484.db2.gz GSIHQFMVGPXNIG-MRXNPFEDSA-N 2 2 329.419 3.484 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001344366406 1390787097 /nfs/dbraw/zinc/78/70/97/1390787097.db2.gz MLEFGCFNMBKXCP-UHFFFAOYSA-N 2 2 326.488 3.393 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnn(C(C)(C)C)c2)[nH+]1 ZINC001350357504 1391453047 /nfs/dbraw/zinc/45/30/47/1391453047.db2.gz DSLLKGDRVIOQIG-QGZVFWFLSA-N 2 2 327.476 3.418 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnn(C(C)(C)C)c2)[nH+]1 ZINC001350357504 1391453051 /nfs/dbraw/zinc/45/30/51/1391453051.db2.gz DSLLKGDRVIOQIG-QGZVFWFLSA-N 2 2 327.476 3.418 20 0 EGADLP C[C@@H]([NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1)c1ccccc1 ZINC001480029039 1392541454 /nfs/dbraw/zinc/54/14/54/1392541454.db2.gz RSTFKEUXBANDCX-VLIAUNLRSA-N 2 2 348.450 3.422 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001480767270 1392921106 /nfs/dbraw/zinc/92/11/06/1392921106.db2.gz JBOTXJPBYYOVQP-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001480767270 1392921107 /nfs/dbraw/zinc/92/11/07/1392921107.db2.gz JBOTXJPBYYOVQP-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)CCn2cc[nH+]c2)cc1 ZINC001481263783 1393155025 /nfs/dbraw/zinc/15/50/25/1393155025.db2.gz ZBDWJHQZFJRQDT-QGZVFWFLSA-N 2 2 342.487 3.206 20 0 EGADLP CC[C@H]([NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001481285778 1393158418 /nfs/dbraw/zinc/15/84/18/1393158418.db2.gz QIFCQJPABQIUSH-YJBOKZPZSA-N 2 2 346.450 3.173 20 0 EGADLP CC(C)C[NH2+]C[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001481938503 1394605599 /nfs/dbraw/zinc/60/55/99/1394605599.db2.gz HSMGNHZDRDVKOY-HXUWFJFHSA-N 2 2 340.471 3.016 20 0 EGADLP CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCCC1 ZINC001698969030 1406730011 /nfs/dbraw/zinc/73/00/11/1406730011.db2.gz VIQJLMCWMZUPCJ-LJQANCHMSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cccn2cc(CC(=O)N(C)CC[C@@H]([NH2+]C(C)C)C(C)C)[nH+]c12 ZINC001485437087 1395904255 /nfs/dbraw/zinc/90/42/55/1395904255.db2.gz DDWWZLXEXQCYCP-GOSISDBHSA-N 2 2 344.503 3.056 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001690195776 1404404235 /nfs/dbraw/zinc/40/42/35/1404404235.db2.gz YVRZOBJJAMNPAY-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001690195776 1404404238 /nfs/dbraw/zinc/40/42/38/1404404238.db2.gz YVRZOBJJAMNPAY-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001690865258 1404784013 /nfs/dbraw/zinc/78/40/13/1404784013.db2.gz IJRCFWDFYJZOBA-CVEARBPZSA-N 2 2 342.487 3.321 20 0 EGADLP C[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CCC1CCCC1 ZINC001690966564 1404873875 /nfs/dbraw/zinc/87/38/75/1404873875.db2.gz KUQQKPUQQQANJP-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP C[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CCC1CCCC1 ZINC001690966564 1404873882 /nfs/dbraw/zinc/87/38/82/1404873882.db2.gz KUQQKPUQQQANJP-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972148 1405688183 /nfs/dbraw/zinc/68/81/83/1405688183.db2.gz LXZLBWSJYHSFIW-KDOFPFPSSA-N 2 2 331.504 3.447 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972148 1405688184 /nfs/dbraw/zinc/68/81/84/1405688184.db2.gz LXZLBWSJYHSFIW-KDOFPFPSSA-N 2 2 331.504 3.447 20 0 EGADLP CC[C@H](C(=O)NC1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001692256160 1405883568 /nfs/dbraw/zinc/88/35/68/1405883568.db2.gz WSXACFUATYNXAR-DNVCBOLYSA-N 2 2 331.504 3.012 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)NC1C[NH+](C[C@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115667 1428368175 /nfs/dbraw/zinc/36/81/75/1428368175.db2.gz SBZHWYUECGTPQL-XLIONFOSSA-N 2 2 345.531 3.162 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)NC1C[NH+](C[C@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115667 1428368177 /nfs/dbraw/zinc/36/81/77/1428368177.db2.gz SBZHWYUECGTPQL-XLIONFOSSA-N 2 2 345.531 3.162 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NC1C[NH+](C[C@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115668 1428368292 /nfs/dbraw/zinc/36/82/92/1428368292.db2.gz SBZHWYUECGTPQL-YLJYHZDGSA-N 2 2 345.531 3.162 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NC1C[NH+](C[C@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115668 1428368294 /nfs/dbraw/zinc/36/82/94/1428368294.db2.gz SBZHWYUECGTPQL-YLJYHZDGSA-N 2 2 345.531 3.162 20 0 EGADLP CC[C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CCc1cccs1 ZINC001732211820 1428460076 /nfs/dbraw/zinc/46/00/76/1428460076.db2.gz RZCQTRBLRSQPFG-INIZCTEOSA-N 2 2 345.512 3.409 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]C/C=C/Cl)CCCC3)ccn12 ZINC001732393027 1428561659 /nfs/dbraw/zinc/56/16/59/1428561659.db2.gz ZCOVZYVQXQKMPJ-XBXARRHUSA-N 2 2 346.862 3.027 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624581 1412989972 /nfs/dbraw/zinc/98/99/72/1412989972.db2.gz UZSVTANBOLVDQR-KDOFPFPSSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624581 1412989977 /nfs/dbraw/zinc/98/99/77/1412989977.db2.gz UZSVTANBOLVDQR-KDOFPFPSSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001699624581 1412989981 /nfs/dbraw/zinc/98/99/81/1412989981.db2.gz UZSVTANBOLVDQR-KDOFPFPSSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699624581 1412989990 /nfs/dbraw/zinc/98/99/90/1412989990.db2.gz UZSVTANBOLVDQR-KDOFPFPSSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001700190387 1413619059 /nfs/dbraw/zinc/61/90/59/1413619059.db2.gz OETBTWZXLAUVHD-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001700190387 1413619061 /nfs/dbraw/zinc/61/90/61/1413619061.db2.gz OETBTWZXLAUVHD-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001700326918 1413797239 /nfs/dbraw/zinc/79/72/39/1413797239.db2.gz DZCVCBQNZUWDQN-GTPINHCMSA-N 2 2 348.535 3.289 20 0 EGADLP CCC(CC)C[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001701018870 1414679610 /nfs/dbraw/zinc/67/96/10/1414679610.db2.gz HVJNWRCKQFTJCG-UHFFFAOYSA-N 2 2 342.487 3.272 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084349 1417630166 /nfs/dbraw/zinc/63/01/66/1417630166.db2.gz BFOMEHJHYQRBKF-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084349 1417630169 /nfs/dbraw/zinc/63/01/69/1417630169.db2.gz BFOMEHJHYQRBKF-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713278697 1417903202 /nfs/dbraw/zinc/90/32/02/1417903202.db2.gz HGHMALNMZNXVIG-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713278697 1417903207 /nfs/dbraw/zinc/90/32/07/1417903207.db2.gz HGHMALNMZNXVIG-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP CC[C@H](C(=O)NC1C[NH+]([C@@H](C)c2ccc3ccccc3c2)C1)[NH+](C)C ZINC001713826938 1418626726 /nfs/dbraw/zinc/62/67/26/1418626726.db2.gz KLRSDAOOIRXHEV-MGPUTAFESA-N 2 2 339.483 3.041 20 0 EGADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001714286070 1419065488 /nfs/dbraw/zinc/06/54/88/1419065488.db2.gz IFQALZZRCXONCH-GJZGRUSLSA-N 2 2 342.487 3.105 20 0 EGADLP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001714671436 1419461543 /nfs/dbraw/zinc/46/15/43/1419461543.db2.gz KPFCGDCMHYDVFX-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001715338229 1420041847 /nfs/dbraw/zinc/04/18/47/1420041847.db2.gz JRILYWQCAASDNU-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001715338229 1420041851 /nfs/dbraw/zinc/04/18/51/1420041851.db2.gz JRILYWQCAASDNU-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715388282 1420085312 /nfs/dbraw/zinc/08/53/12/1420085312.db2.gz AGWBSNXVIFHHSM-WMZOPIPTSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715703741 1420302528 /nfs/dbraw/zinc/30/25/28/1420302528.db2.gz SGVMTQUQKILRTK-CHWSQXEVSA-N 2 2 348.878 3.160 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001717886623 1421688714 /nfs/dbraw/zinc/68/87/14/1421688714.db2.gz FOMZFADQUQFAPC-MOPGFXCFSA-N 2 2 346.519 3.118 20 0 EGADLP CC1(CNC(=O)CCn2cc[nH+]c2)CC[NH+](CCC2CCCC2)CC1 ZINC001724294982 1424780119 /nfs/dbraw/zinc/78/01/19/1424780119.db2.gz FPBOHJQLNCEYMU-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189172 1425730196 /nfs/dbraw/zinc/73/01/96/1425730196.db2.gz WQMZHPHAXPTYHJ-JKSUJKDBSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189172 1425730199 /nfs/dbraw/zinc/73/01/99/1425730199.db2.gz WQMZHPHAXPTYHJ-JKSUJKDBSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350537 1427288855 /nfs/dbraw/zinc/28/88/55/1427288855.db2.gz IGLXYNASXGCXOV-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350537 1427288856 /nfs/dbraw/zinc/28/88/56/1427288856.db2.gz IGLXYNASXGCXOV-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731559710 1427592141 /nfs/dbraw/zinc/59/21/41/1427592141.db2.gz QXVKCINWRFBXLW-RDJZCZTQSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731559710 1427592143 /nfs/dbraw/zinc/59/21/43/1427592143.db2.gz QXVKCINWRFBXLW-RDJZCZTQSA-N 2 2 348.535 3.304 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001734116789 1437898944 /nfs/dbraw/zinc/89/89/44/1437898944.db2.gz LDJRHDAPXVPMFL-CQSZACIVSA-N 2 2 342.487 3.439 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001734328484 1438052853 /nfs/dbraw/zinc/05/28/53/1438052853.db2.gz MZECGYLOHVTNAH-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001734328484 1438052855 /nfs/dbraw/zinc/05/28/55/1438052855.db2.gz MZECGYLOHVTNAH-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)n1cc[nH+]c1 ZINC001752768700 1440205929 /nfs/dbraw/zinc/20/59/29/1440205929.db2.gz KTIFANHTNYEQRS-NXHRZFHOSA-N 2 2 344.503 3.041 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+](CCCCCF)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001752782896 1440209627 /nfs/dbraw/zinc/20/96/27/1440209627.db2.gz SZNQXCNEMUKEFL-OAHLLOKOSA-N 2 2 346.450 3.145 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+](CCCCCF)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001752782896 1440209628 /nfs/dbraw/zinc/20/96/28/1440209628.db2.gz SZNQXCNEMUKEFL-OAHLLOKOSA-N 2 2 346.450 3.145 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCC3=CCCCC3)ccn12 ZINC001752873697 1440237660 /nfs/dbraw/zinc/23/76/60/1440237660.db2.gz WPYJBMNHGFJTSA-HNNXBMFYSA-N 2 2 340.471 3.241 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752943160 1440251055 /nfs/dbraw/zinc/25/10/55/1440251055.db2.gz JRJOYQYTEHPDNU-OAHLLOKOSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001753294002 1440351480 /nfs/dbraw/zinc/35/14/80/1440351480.db2.gz BXFOVODFXFYBRA-LJQANCHMSA-N 2 2 342.487 3.110 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753350924 1440377968 /nfs/dbraw/zinc/37/79/68/1440377968.db2.gz AXBHJGPGERMDSN-SFHVURJKSA-N 2 2 348.535 3.143 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001753350924 1440377969 /nfs/dbraw/zinc/37/79/69/1440377969.db2.gz AXBHJGPGERMDSN-SFHVURJKSA-N 2 2 348.535 3.143 20 0 EGADLP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753438229 1440400725 /nfs/dbraw/zinc/40/07/25/1440400725.db2.gz UWIZTXIVSVZCSZ-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CCCCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001753438229 1440400726 /nfs/dbraw/zinc/40/07/26/1440400726.db2.gz UWIZTXIVSVZCSZ-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753550296 1440434891 /nfs/dbraw/zinc/43/48/91/1440434891.db2.gz OAIYMVDVUKUHAB-HOCLYGCPSA-N 2 2 346.450 3.143 20 0 EGADLP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753550295 1440434912 /nfs/dbraw/zinc/43/49/12/1440434912.db2.gz OAIYMVDVUKUHAB-GOEBONIOSA-N 2 2 346.450 3.143 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586492 1440441429 /nfs/dbraw/zinc/44/14/29/1440441429.db2.gz QODXYUXNXWPADZ-SZMVWBNQSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586492 1440441430 /nfs/dbraw/zinc/44/14/30/1440441430.db2.gz QODXYUXNXWPADZ-SZMVWBNQSA-N 2 2 346.519 3.186 20 0 EGADLP CC[C@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753737034 1440478059 /nfs/dbraw/zinc/47/80/59/1440478059.db2.gz MXBBYVQIWUAYJN-IRXDYDNUSA-N 2 2 337.483 3.489 20 0 EGADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001753810701 1440492771 /nfs/dbraw/zinc/49/27/71/1440492771.db2.gz BIOMIARKUNKPNR-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@H+](C)CCC(C)(C)C)ccn12 ZINC001754312392 1440573864 /nfs/dbraw/zinc/57/38/64/1440573864.db2.gz ZYZMYOOKAKNKFE-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C)ccn12 ZINC001754312392 1440573865 /nfs/dbraw/zinc/57/38/65/1440573865.db2.gz ZYZMYOOKAKNKFE-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754317152 1440576281 /nfs/dbraw/zinc/57/62/81/1440576281.db2.gz XJTIYHSRDAAMAR-AWEZNQCLSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754317152 1440576282 /nfs/dbraw/zinc/57/62/82/1440576282.db2.gz XJTIYHSRDAAMAR-AWEZNQCLSA-N 2 2 340.471 3.193 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001754345285 1440589630 /nfs/dbraw/zinc/58/96/30/1440589630.db2.gz IYVVQPVZRBSPOO-RBUKOAKNSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001754468521 1440604817 /nfs/dbraw/zinc/60/48/17/1440604817.db2.gz OTONUKDCPWQRER-OALUTQOASA-N 2 2 346.519 3.070 20 0 EGADLP CCC[NH+]1CCC2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001754560860 1440633649 /nfs/dbraw/zinc/63/36/49/1440633649.db2.gz YCGXUIDEQARYTI-SFHVURJKSA-N 2 2 346.519 3.195 20 0 EGADLP CC1(C)CCC(C[NH+]2CCC(C)(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001754629198 1440647217 /nfs/dbraw/zinc/64/72/17/1440647217.db2.gz UVNORCFNGIIURB-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001754834719 1440696596 /nfs/dbraw/zinc/69/65/96/1440696596.db2.gz WOSJUMNAZCDEPQ-QAQDUYKDSA-N 2 2 342.487 3.260 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCCCCF)CCC3)ccn12 ZINC001754980595 1440721179 /nfs/dbraw/zinc/72/11/79/1440721179.db2.gz JLGVGNMFESQQIH-UHFFFAOYSA-N 2 2 346.450 3.025 20 0 EGADLP CC1([NH2+]CCC2CCCCC2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001755132198 1440757369 /nfs/dbraw/zinc/75/73/69/1440757369.db2.gz RDZFONRTWMVIPQ-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001755175818 1440770676 /nfs/dbraw/zinc/77/06/76/1440770676.db2.gz IPHHLMBASQTJRB-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755281040 1440800584 /nfs/dbraw/zinc/80/05/84/1440800584.db2.gz VSDXGFHCWVJNLM-UHFFFAOYSA-N 2 2 330.476 3.131 20 0 EGADLP CC(C)[NH2+][C@@H](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC001755341683 1440825561 /nfs/dbraw/zinc/82/55/61/1440825561.db2.gz NHUKURUZMLRGIF-IBGZPJMESA-N 2 2 342.487 3.357 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364817 1440833775 /nfs/dbraw/zinc/83/37/75/1440833775.db2.gz YWISCZLDXDSZAO-WHLIDYPQSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001755364817 1440833776 /nfs/dbraw/zinc/83/37/76/1440833776.db2.gz YWISCZLDXDSZAO-WHLIDYPQSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364817 1440833777 /nfs/dbraw/zinc/83/37/77/1440833777.db2.gz YWISCZLDXDSZAO-WHLIDYPQSA-N 2 2 332.492 3.059 20 0 EGADLP CC/C=C/CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001755364817 1440833778 /nfs/dbraw/zinc/83/37/78/1440833778.db2.gz YWISCZLDXDSZAO-WHLIDYPQSA-N 2 2 332.492 3.059 20 0 EGADLP C[C@@H](CC(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001755387953 1440841099 /nfs/dbraw/zinc/84/10/99/1440841099.db2.gz USTZIVVUEJISQI-IRXDYDNUSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001755521814 1440865146 /nfs/dbraw/zinc/86/51/46/1440865146.db2.gz JMDBWXRGHJENML-ZIAGYGMSSA-N 2 2 346.450 3.035 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C\c1ccccc1 ZINC001755593387 1440882025 /nfs/dbraw/zinc/88/20/25/1440882025.db2.gz WOGHFRDRYWDNQW-HWYHOQROSA-N 2 2 348.450 3.326 20 0 EGADLP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CCC1=CCCCC1 ZINC001755606536 1440885751 /nfs/dbraw/zinc/88/57/51/1440885751.db2.gz LKHHMRYWMNNNGC-IAGOWNOFSA-N 2 2 332.492 3.161 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001755693880 1440897293 /nfs/dbraw/zinc/89/72/93/1440897293.db2.gz SHRBNOIPXLXAKF-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100889 168310765 /nfs/dbraw/zinc/31/07/65/168310765.db2.gz IUQIHWLFPKXCFI-GRDNDAEWSA-N 2 2 348.491 3.035 20 0 EGADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100889 168310768 /nfs/dbraw/zinc/31/07/68/168310768.db2.gz IUQIHWLFPKXCFI-GRDNDAEWSA-N 2 2 348.491 3.035 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354234 168346253 /nfs/dbraw/zinc/34/62/53/168346253.db2.gz HKRYEHQLIUCPAR-JXFKEZNVSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1C ZINC000368354234 168346255 /nfs/dbraw/zinc/34/62/55/168346255.db2.gz HKRYEHQLIUCPAR-JXFKEZNVSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1C ZINC000368354234 168346257 /nfs/dbraw/zinc/34/62/57/168346257.db2.gz HKRYEHQLIUCPAR-JXFKEZNVSA-N 2 2 340.471 3.442 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1C ZINC000368354234 168346258 /nfs/dbraw/zinc/34/62/58/168346258.db2.gz HKRYEHQLIUCPAR-JXFKEZNVSA-N 2 2 340.471 3.442 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531161 168369379 /nfs/dbraw/zinc/36/93/79/168369379.db2.gz TYYMLWXISNIQDK-TZIWHRDSSA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531161 168369381 /nfs/dbraw/zinc/36/93/81/168369381.db2.gz TYYMLWXISNIQDK-TZIWHRDSSA-N 2 2 338.499 3.373 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000177000329 231774824 /nfs/dbraw/zinc/77/48/24/231774824.db2.gz NTMDNMWDZBAACX-QGZVFWFLSA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000177000329 231774827 /nfs/dbraw/zinc/77/48/27/231774827.db2.gz NTMDNMWDZBAACX-QGZVFWFLSA-N 2 2 347.528 3.378 20 0 EGADLP FC(F)(F)c1ccn(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000181118921 234090510 /nfs/dbraw/zinc/09/05/10/234090510.db2.gz GPPWABXORFIPJI-UHFFFAOYSA-N 2 2 349.360 3.387 20 0 EGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000187902460 236333888 /nfs/dbraw/zinc/33/38/88/236333888.db2.gz RFMGIKPPXQQEHY-JKSUJKDBSA-N 2 2 330.501 3.409 20 0 EGADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187902460 236333889 /nfs/dbraw/zinc/33/38/89/236333889.db2.gz RFMGIKPPXQQEHY-JKSUJKDBSA-N 2 2 330.501 3.409 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803477 216307923 /nfs/dbraw/zinc/30/79/23/216307923.db2.gz JTIUEYTVSOBCBT-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000072803477 216307926 /nfs/dbraw/zinc/30/79/26/216307926.db2.gz JTIUEYTVSOBCBT-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000072859306 216318341 /nfs/dbraw/zinc/31/83/41/216318341.db2.gz KBCXLCPJZAASSR-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000072859306 216318343 /nfs/dbraw/zinc/31/83/43/216318343.db2.gz KBCXLCPJZAASSR-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859306 216318345 /nfs/dbraw/zinc/31/83/45/216318345.db2.gz KBCXLCPJZAASSR-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859306 216318349 /nfs/dbraw/zinc/31/83/49/216318349.db2.gz KBCXLCPJZAASSR-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836098 239330144 /nfs/dbraw/zinc/33/01/44/239330144.db2.gz VDEMVRZOXWQUBT-PKOBYXMFSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000191836098 239330154 /nfs/dbraw/zinc/33/01/54/239330154.db2.gz VDEMVRZOXWQUBT-PKOBYXMFSA-N 2 2 325.456 3.023 20 0 EGADLP c1c[nH+]c([C@H](NC2CC[NH+](C3CCCCC3)CC2)c2cccnc2)[nH]1 ZINC000195052188 240816141 /nfs/dbraw/zinc/81/61/41/240816141.db2.gz AINNGYVVAIRHMI-LJQANCHMSA-N 2 2 339.487 3.281 20 0 EGADLP O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262581789 245043482 /nfs/dbraw/zinc/04/34/82/245043482.db2.gz MFRZSUUDVJTEKB-ZDUSSCGKSA-N 2 2 345.830 3.257 20 0 EGADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000262657997 245104715 /nfs/dbraw/zinc/10/47/15/245104715.db2.gz MVKMXNXOTQTWRA-ZWKOTPCHSA-N 2 2 345.874 3.067 20 0 EGADLP OCCCSCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000151218600 223795073 /nfs/dbraw/zinc/79/50/73/223795073.db2.gz SZBNRGDEGPCCSL-UHFFFAOYSA-N 2 2 342.936 3.010 20 0 EGADLP C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000189722021 296248533 /nfs/dbraw/zinc/24/85/33/296248533.db2.gz FSUCSSSLHQWMQR-VYDXJSESSA-N 2 2 343.479 3.019 20 0 EGADLP C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000189722021 296248534 /nfs/dbraw/zinc/24/85/34/296248534.db2.gz FSUCSSSLHQWMQR-VYDXJSESSA-N 2 2 343.479 3.019 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000377630886 169051574 /nfs/dbraw/zinc/05/15/74/169051574.db2.gz XIBIRPDVYWHRAY-MRXNPFEDSA-N 2 2 345.487 3.071 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2cccs2)n1 ZINC000378439342 169121092 /nfs/dbraw/zinc/12/10/92/169121092.db2.gz ORMHCPDNYOGOOG-ZDUSSCGKSA-N 2 2 327.457 3.251 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2cccs2)n1 ZINC000378439342 169121094 /nfs/dbraw/zinc/12/10/94/169121094.db2.gz ORMHCPDNYOGOOG-ZDUSSCGKSA-N 2 2 327.457 3.251 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000112173956 220255997 /nfs/dbraw/zinc/25/59/97/220255997.db2.gz UBKMFDHNKTVFJB-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000112173956 220255999 /nfs/dbraw/zinc/25/59/99/220255999.db2.gz UBKMFDHNKTVFJB-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nccs1 ZINC000093371786 218219633 /nfs/dbraw/zinc/21/96/33/218219633.db2.gz OIOVVWUCIPBOFU-INIZCTEOSA-N 2 2 330.501 3.006 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000093394597 218221808 /nfs/dbraw/zinc/22/18/08/218221808.db2.gz GFZNLKRZWKQMOB-UHFFFAOYSA-N 2 2 328.456 3.225 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000093394597 218221809 /nfs/dbraw/zinc/22/18/09/218221809.db2.gz GFZNLKRZWKQMOB-UHFFFAOYSA-N 2 2 328.456 3.225 20 0 EGADLP Clc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2c1 ZINC000095428234 218369717 /nfs/dbraw/zinc/36/97/17/218369717.db2.gz MLXCHKQDQFEXMR-MRXNPFEDSA-N 2 2 328.803 3.036 20 0 EGADLP Clc1ccc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2c1 ZINC000095428234 218369719 /nfs/dbraw/zinc/36/97/19/218369719.db2.gz MLXCHKQDQFEXMR-MRXNPFEDSA-N 2 2 328.803 3.036 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268763502 252213153 /nfs/dbraw/zinc/21/31/53/252213153.db2.gz MMCIWFWRBZZOKG-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268763502 252213158 /nfs/dbraw/zinc/21/31/58/252213158.db2.gz MMCIWFWRBZZOKG-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818483 252269233 /nfs/dbraw/zinc/26/92/33/252269233.db2.gz GVQSIOKVHNQEPM-WMZOPIPTSA-N 2 2 341.503 3.267 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818483 252269236 /nfs/dbraw/zinc/26/92/36/252269236.db2.gz GVQSIOKVHNQEPM-WMZOPIPTSA-N 2 2 341.503 3.267 20 0 EGADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268859778 252308465 /nfs/dbraw/zinc/30/84/65/252308465.db2.gz JDNFFAJSGWTORT-HKUYNNGSSA-N 2 2 333.520 3.150 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)c3ccccn3)c2cc1C ZINC000119357661 221302320 /nfs/dbraw/zinc/30/23/20/221302320.db2.gz WCBBWDPTZSMNPJ-DLBZAZTESA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)c3ccccn3)c2cc1C ZINC000119357661 221302323 /nfs/dbraw/zinc/30/23/23/221302323.db2.gz WCBBWDPTZSMNPJ-DLBZAZTESA-N 2 2 338.455 3.102 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119791659 221401442 /nfs/dbraw/zinc/40/14/42/221401442.db2.gz KOZNPPLHYUQGNK-OAHLLOKOSA-N 2 2 344.459 3.438 20 0 EGADLP CCc1noc(C)c1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328606788 258040558 /nfs/dbraw/zinc/04/05/58/258040558.db2.gz TUJGQFBCYIFXQN-KRWDZBQOSA-N 2 2 328.460 3.085 20 0 EGADLP CCc1noc(C)c1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328606788 258040559 /nfs/dbraw/zinc/04/05/59/258040559.db2.gz TUJGQFBCYIFXQN-KRWDZBQOSA-N 2 2 328.460 3.085 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832940 533422513 /nfs/dbraw/zinc/42/25/13/533422513.db2.gz XRHJDPSLXVHXHS-YLJYHZDGSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832940 533422514 /nfs/dbraw/zinc/42/25/14/533422514.db2.gz XRHJDPSLXVHXHS-YLJYHZDGSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1CCC[NH2+]C1 ZINC000237585491 141009406 /nfs/dbraw/zinc/00/94/06/141009406.db2.gz PSRIMLPDZJNIST-ZBFHGGJFSA-N 2 2 326.444 3.051 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)sc1C ZINC000246870202 141040819 /nfs/dbraw/zinc/04/08/19/141040819.db2.gz CYIAEWHGUYITDR-KDOFPFPSSA-N 2 2 344.528 3.198 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)sc1C ZINC000246870202 141040822 /nfs/dbraw/zinc/04/08/22/141040822.db2.gz CYIAEWHGUYITDR-KDOFPFPSSA-N 2 2 344.528 3.198 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246895966 141042352 /nfs/dbraw/zinc/04/23/52/141042352.db2.gz FAPXZPGYVLJTOU-VLFNSIGCSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246895966 141042354 /nfs/dbraw/zinc/04/23/54/141042354.db2.gz FAPXZPGYVLJTOU-VLFNSIGCSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246895966 141042356 /nfs/dbraw/zinc/04/23/56/141042356.db2.gz FAPXZPGYVLJTOU-VLFNSIGCSA-N 3 2 329.532 3.358 20 0 EGADLP COc1cc2c(c(C[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)c1)O[C@@H](C)C2 ZINC000344523255 141168767 /nfs/dbraw/zinc/16/87/67/141168767.db2.gz XACFYBAJYLUOON-GJZGRUSLSA-N 2 2 341.455 3.191 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCCc1c[nH+]ccc1C)O[C@H](C)C2 ZINC000347913591 141215217 /nfs/dbraw/zinc/21/52/17/141215217.db2.gz ANCAIPIDOLZLLW-OAHLLOKOSA-N 2 2 326.440 3.444 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348038939 141235218 /nfs/dbraw/zinc/23/52/18/141235218.db2.gz DPSTXVSFTNHPAE-OAHLLOKOSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348038939 141235219 /nfs/dbraw/zinc/23/52/19/141235219.db2.gz DPSTXVSFTNHPAE-OAHLLOKOSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348038939 141235220 /nfs/dbraw/zinc/23/52/20/141235220.db2.gz DPSTXVSFTNHPAE-OAHLLOKOSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348038939 141235221 /nfs/dbraw/zinc/23/52/21/141235221.db2.gz DPSTXVSFTNHPAE-OAHLLOKOSA-N 2 2 341.293 3.374 20 0 EGADLP Fc1ccc([C@H]2C[C@H]([NH2+]Cc3cccc4[nH+]ccn43)CCO2)cc1 ZINC000350549027 141252418 /nfs/dbraw/zinc/25/24/18/141252418.db2.gz ASUWLHSDYHGJBM-SJLPKXTDSA-N 2 2 325.387 3.483 20 0 EGADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000350730341 141264005 /nfs/dbraw/zinc/26/40/05/141264005.db2.gz RXIBLJJYVNEJMX-IXDOHACOSA-N 2 2 331.508 3.245 20 0 EGADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000350730341 141264006 /nfs/dbraw/zinc/26/40/06/141264006.db2.gz RXIBLJJYVNEJMX-IXDOHACOSA-N 2 2 331.508 3.245 20 0 EGADLP Cc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1F ZINC000352948798 141275685 /nfs/dbraw/zinc/27/56/85/141275685.db2.gz UQYHKBBHEAJLCG-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP Cc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1F ZINC000352948798 141275686 /nfs/dbraw/zinc/27/56/86/141275686.db2.gz UQYHKBBHEAJLCG-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)c1OC ZINC000353452542 141299976 /nfs/dbraw/zinc/29/99/76/141299976.db2.gz ZXADBLNMOOYXTK-HNNXBMFYSA-N 2 2 343.471 3.438 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356841017 141352373 /nfs/dbraw/zinc/35/23/73/141352373.db2.gz VMFPYPNUIFLACJ-UHFFFAOYSA-N 2 2 330.476 3.076 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@@H]2CCCOC2)CCOCC1)c1ccccc1 ZINC000356860362 141356339 /nfs/dbraw/zinc/35/63/39/141356339.db2.gz YUSDCPQFOGSACZ-CMKODMSKSA-N 2 2 346.515 3.291 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734352 144118344 /nfs/dbraw/zinc/11/83/44/144118344.db2.gz STWDLJGGOGSLIX-DOTOQJQBSA-N 2 2 340.471 3.479 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734352 144118345 /nfs/dbraw/zinc/11/83/45/144118345.db2.gz STWDLJGGOGSLIX-DOTOQJQBSA-N 2 2 340.471 3.479 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000186346377 144131043 /nfs/dbraw/zinc/13/10/43/144131043.db2.gz SLIQHRQBLDMZQC-CABCVRRESA-N 2 2 337.533 3.418 20 0 EGADLP Clc1ccc2nc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)cn2c1 ZINC000351569247 144280762 /nfs/dbraw/zinc/28/07/62/144280762.db2.gz LNDGJBWJYVPTNV-UHFFFAOYSA-N 2 2 338.802 3.240 20 0 EGADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000363779842 144365437 /nfs/dbraw/zinc/36/54/37/144365437.db2.gz FAUQRENQESAFCL-KKUMJFAQSA-N 2 2 340.414 3.110 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCO2 ZINC000341489592 155322030 /nfs/dbraw/zinc/32/20/30/155322030.db2.gz XECVNDBMFOXACU-IBGZPJMESA-N 2 2 341.430 3.299 20 0 EGADLP Cc1ccc([C@H](CNc2cc(C)[nH+]c(C3CC3)n2)[NH+]2CCCC2)o1 ZINC000341501484 155326353 /nfs/dbraw/zinc/32/63/53/155326353.db2.gz NPOYZMVUZPXUMQ-INIZCTEOSA-N 2 2 326.444 3.235 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)c2ccccc12 ZINC000124287277 286312150 /nfs/dbraw/zinc/31/21/50/286312150.db2.gz WMLSACADGRVSHS-MRXNPFEDSA-N 2 2 328.456 3.049 20 0 EGADLP CC(C)[NH+](CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)C ZINC000174358694 152854426 /nfs/dbraw/zinc/85/44/26/152854426.db2.gz MYCHYBZPAGDGEJ-INIZCTEOSA-N 2 2 335.496 3.155 20 0 EGADLP COc1ncccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193365182 153289227 /nfs/dbraw/zinc/28/92/27/153289227.db2.gz WGDIJAQNCWUPFQ-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ncccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193365182 153289229 /nfs/dbraw/zinc/28/92/29/153289229.db2.gz WGDIJAQNCWUPFQ-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193365182 153289231 /nfs/dbraw/zinc/28/92/31/153289231.db2.gz WGDIJAQNCWUPFQ-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193365182 153289232 /nfs/dbraw/zinc/28/92/32/153289232.db2.gz WGDIJAQNCWUPFQ-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808488 154165226 /nfs/dbraw/zinc/16/52/26/154165226.db2.gz QQKUHWDVAHHDRR-MAZHCROVSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808488 154165228 /nfs/dbraw/zinc/16/52/28/154165228.db2.gz QQKUHWDVAHHDRR-MAZHCROVSA-N 2 2 328.378 3.219 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400692 154334268 /nfs/dbraw/zinc/33/42/68/154334268.db2.gz LENOXSDBYNWNMT-OUMXJLHTSA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400692 154334269 /nfs/dbraw/zinc/33/42/69/154334269.db2.gz LENOXSDBYNWNMT-OUMXJLHTSA-N 2 2 336.426 3.022 20 0 EGADLP O[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000339549050 154871789 /nfs/dbraw/zinc/87/17/89/154871789.db2.gz QKOQCERFKSAGJG-NRFANRHFSA-N 2 2 342.527 3.498 20 0 EGADLP O[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000339549050 154871793 /nfs/dbraw/zinc/87/17/93/154871793.db2.gz QKOQCERFKSAGJG-NRFANRHFSA-N 2 2 342.527 3.498 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@@H+]1Cc1ccccc1 ZINC000346833149 156156901 /nfs/dbraw/zinc/15/69/01/156156901.db2.gz SDKCZRQMRQHBNE-VQIMIIECSA-N 2 2 334.467 3.358 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@H+]1Cc1ccccc1 ZINC000346833149 156156906 /nfs/dbraw/zinc/15/69/06/156156906.db2.gz SDKCZRQMRQHBNE-VQIMIIECSA-N 2 2 334.467 3.358 20 0 EGADLP CCC1(CC)[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C[C@H]1OC ZINC000346927534 156200083 /nfs/dbraw/zinc/20/00/83/156200083.db2.gz BPGXCAJDQHDAKE-KZNAEPCWSA-N 2 2 346.519 3.228 20 0 EGADLP Brc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000347004395 156240410 /nfs/dbraw/zinc/24/04/10/156240410.db2.gz BHAVMXLQMANJKC-AWEZNQCLSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000347004395 156240412 /nfs/dbraw/zinc/24/04/12/156240412.db2.gz BHAVMXLQMANJKC-AWEZNQCLSA-N 2 2 346.272 3.324 20 0 EGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000347015446 156248526 /nfs/dbraw/zinc/24/85/26/156248526.db2.gz JFSMWKFNCLPMQD-SNVBAGLBSA-N 2 2 349.219 3.140 20 0 EGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@H](C[NH3+])C2)c1OC(F)F ZINC000347015446 156248529 /nfs/dbraw/zinc/24/85/29/156248529.db2.gz JFSMWKFNCLPMQD-SNVBAGLBSA-N 2 2 349.219 3.140 20 0 EGADLP COc1sc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000347021779 156253386 /nfs/dbraw/zinc/25/33/86/156253386.db2.gz NODNFDRJQMQQMH-ZACCUICWSA-N 2 2 345.306 3.234 20 0 EGADLP COc1sc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000347021779 156253388 /nfs/dbraw/zinc/25/33/88/156253388.db2.gz NODNFDRJQMQQMH-ZACCUICWSA-N 2 2 345.306 3.234 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000365700638 157221394 /nfs/dbraw/zinc/22/13/94/157221394.db2.gz ISIWJMXIJOXZLK-VQIMIIECSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000365700638 157221400 /nfs/dbraw/zinc/22/14/00/157221400.db2.gz ISIWJMXIJOXZLK-VQIMIIECSA-N 2 2 335.923 3.106 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(I)cc1 ZINC000397852094 308904722 /nfs/dbraw/zinc/90/47/22/308904722.db2.gz KIYPVIUWWMTCLO-LLVKDONJSA-N 2 2 344.240 3.036 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)c1OC ZINC000093597444 162017036 /nfs/dbraw/zinc/01/70/36/162017036.db2.gz YYDSBHLZNJYTSU-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(Cl)c1OC ZINC000093597444 162017037 /nfs/dbraw/zinc/01/70/37/162017037.db2.gz YYDSBHLZNJYTSU-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP c1cc(-c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)s2)cs1 ZINC000093664616 162020326 /nfs/dbraw/zinc/02/03/26/162020326.db2.gz OBMIDOSSWQIVCU-AWEZNQCLSA-N 2 2 349.525 3.026 20 0 EGADLP c1cc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)s2)cs1 ZINC000093664616 162020329 /nfs/dbraw/zinc/02/03/29/162020329.db2.gz OBMIDOSSWQIVCU-AWEZNQCLSA-N 2 2 349.525 3.026 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683426 162023663 /nfs/dbraw/zinc/02/36/63/162023663.db2.gz HGZFWVFZZQALSF-LJQANCHMSA-N 2 2 338.499 3.489 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683426 162023666 /nfs/dbraw/zinc/02/36/66/162023666.db2.gz HGZFWVFZZQALSF-LJQANCHMSA-N 2 2 338.499 3.489 20 0 EGADLP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)OCCCO2 ZINC000093683370 162023689 /nfs/dbraw/zinc/02/36/89/162023689.db2.gz DRKIBIXUIGNGRR-QGZVFWFLSA-N 2 2 330.472 3.156 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)OCCCO2 ZINC000093683370 162023691 /nfs/dbraw/zinc/02/36/91/162023691.db2.gz DRKIBIXUIGNGRR-QGZVFWFLSA-N 2 2 330.472 3.156 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125331404 162269186 /nfs/dbraw/zinc/26/91/86/162269186.db2.gz JASYFEVXLWVGBS-XLIONFOSSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125331404 162269188 /nfs/dbraw/zinc/26/91/88/162269188.db2.gz JASYFEVXLWVGBS-XLIONFOSSA-N 2 2 331.504 3.231 20 0 EGADLP CC(C)CC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000130546903 162372005 /nfs/dbraw/zinc/37/20/05/162372005.db2.gz ROHJVAHWVJUDPC-UHFFFAOYSA-N 2 2 349.563 3.268 20 0 EGADLP Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000248771733 163034025 /nfs/dbraw/zinc/03/40/25/163034025.db2.gz SUIGKKZXDXTWQI-FUHWJXTLSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000248771733 163034029 /nfs/dbraw/zinc/03/40/29/163034029.db2.gz SUIGKKZXDXTWQI-FUHWJXTLSA-N 2 2 340.471 3.006 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000305103176 163073532 /nfs/dbraw/zinc/07/35/32/163073532.db2.gz BZNADYFAGYNULY-GDBMZVCRSA-N 2 2 332.419 3.191 20 0 EGADLP CSC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305111178 163074852 /nfs/dbraw/zinc/07/48/52/163074852.db2.gz CYXDENBLSIEBEH-INIZCTEOSA-N 2 2 342.936 3.008 20 0 EGADLP CCCCc1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000337044888 163113778 /nfs/dbraw/zinc/11/37/78/163113778.db2.gz FBNCDNBWDDIXPW-UAGQMJEPSA-N 2 2 328.460 3.148 20 0 EGADLP CCCCc1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000337044888 163113780 /nfs/dbraw/zinc/11/37/80/163113780.db2.gz FBNCDNBWDDIXPW-UAGQMJEPSA-N 2 2 328.460 3.148 20 0 EGADLP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000337184943 163155243 /nfs/dbraw/zinc/15/52/43/163155243.db2.gz OMGZAMMMQNZSHW-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP CCc1cc(OC)ccc1C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000337261548 163185423 /nfs/dbraw/zinc/18/54/23/163185423.db2.gz QKOSIAOYBYXQMC-APWZRJJASA-N 2 2 329.444 3.001 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272693 163190131 /nfs/dbraw/zinc/19/01/31/163190131.db2.gz OPHHNWXYTYXKPH-UYAOXDASSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272693 163190134 /nfs/dbraw/zinc/19/01/34/163190134.db2.gz OPHHNWXYTYXKPH-UYAOXDASSA-N 2 2 345.531 3.450 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338330442 163213170 /nfs/dbraw/zinc/21/31/70/163213170.db2.gz CUUZQCYKPYSYNT-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338330442 163213173 /nfs/dbraw/zinc/21/31/73/163213173.db2.gz CUUZQCYKPYSYNT-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP Cc1ccc(CCC[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c[nH+]1 ZINC000354350293 166007338 /nfs/dbraw/zinc/00/73/38/166007338.db2.gz BPNNTXCVIJQCLE-UHFFFAOYSA-N 2 2 329.488 3.093 20 0 EGADLP CC(C)[C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[NH+](C)C ZINC000338723016 163331351 /nfs/dbraw/zinc/33/13/51/163331351.db2.gz TWJCGPYRFFODEZ-OAHLLOKOSA-N 2 2 338.521 3.044 20 0 EGADLP CCc1oc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C(=O)OC ZINC000338946261 163399164 /nfs/dbraw/zinc/39/91/64/163399164.db2.gz WRLIDXJJXUYMDB-HNNXBMFYSA-N 2 2 334.460 3.079 20 0 EGADLP CCc1oc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C(=O)OC ZINC000338946261 163399167 /nfs/dbraw/zinc/39/91/67/163399167.db2.gz WRLIDXJJXUYMDB-HNNXBMFYSA-N 2 2 334.460 3.079 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000340389218 163567456 /nfs/dbraw/zinc/56/74/56/163567456.db2.gz FIYLLPVBFDKSAK-FXAWDEMLSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000340389218 163567457 /nfs/dbraw/zinc/56/74/57/163567457.db2.gz FIYLLPVBFDKSAK-FXAWDEMLSA-N 2 2 334.467 3.477 20 0 EGADLP CCC[N@H+](CC)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354752419 166023428 /nfs/dbraw/zinc/02/34/28/166023428.db2.gz DPFJBOOZHWXJRN-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP CCC[N@@H+](CC)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354752419 166023429 /nfs/dbraw/zinc/02/34/29/166023429.db2.gz DPFJBOOZHWXJRN-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000354805267 166036046 /nfs/dbraw/zinc/03/60/46/166036046.db2.gz JDRQNVRWVGTKAD-AWEZNQCLSA-N 2 2 330.476 3.122 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816253 164042186 /nfs/dbraw/zinc/04/21/86/164042186.db2.gz MQQKUYXDAPELCR-DZGCQCFKSA-N 2 2 338.879 3.416 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816253 164042189 /nfs/dbraw/zinc/04/21/89/164042189.db2.gz MQQKUYXDAPELCR-DZGCQCFKSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816253 164042191 /nfs/dbraw/zinc/04/21/91/164042191.db2.gz MQQKUYXDAPELCR-DZGCQCFKSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816253 164042193 /nfs/dbraw/zinc/04/21/93/164042193.db2.gz MQQKUYXDAPELCR-DZGCQCFKSA-N 2 2 338.879 3.416 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000344088379 164100693 /nfs/dbraw/zinc/10/06/93/164100693.db2.gz QMRKTRBGZGWISO-MBOZVWFJSA-N 2 2 337.467 3.058 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000344088379 164100695 /nfs/dbraw/zinc/10/06/95/164100695.db2.gz QMRKTRBGZGWISO-MBOZVWFJSA-N 2 2 337.467 3.058 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000344160439 164116613 /nfs/dbraw/zinc/11/66/13/164116613.db2.gz DQOHPJHRFMWBMM-QZTJIDSGSA-N 2 2 340.552 3.305 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309494 164152251 /nfs/dbraw/zinc/15/22/51/164152251.db2.gz ZURAKAKZWBNOTE-QWFCFKBJSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309494 164152252 /nfs/dbraw/zinc/15/22/52/164152252.db2.gz ZURAKAKZWBNOTE-QWFCFKBJSA-N 2 2 345.531 3.070 20 0 EGADLP O[C@@]1(C[NH2+]Cc2coc3ccccc23)CC[N@H+](Cc2ccccc2)C1 ZINC000344541644 164188694 /nfs/dbraw/zinc/18/86/94/164188694.db2.gz VXVQQCZXERYVPW-OAQYLSRUSA-N 2 2 336.435 3.159 20 0 EGADLP O[C@@]1(C[NH2+]Cc2coc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541644 164188696 /nfs/dbraw/zinc/18/86/96/164188696.db2.gz VXVQQCZXERYVPW-OAQYLSRUSA-N 2 2 336.435 3.159 20 0 EGADLP C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345936903 164299399 /nfs/dbraw/zinc/29/93/99/164299399.db2.gz QZKYYUHQVGCKIR-FGTMMUONSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345936903 164299401 /nfs/dbraw/zinc/29/94/01/164299401.db2.gz QZKYYUHQVGCKIR-FGTMMUONSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000346109613 164338736 /nfs/dbraw/zinc/33/87/36/164338736.db2.gz OYECAAYNMVTBKE-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000346109613 164338737 /nfs/dbraw/zinc/33/87/37/164338737.db2.gz OYECAAYNMVTBKE-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000346565000 164397991 /nfs/dbraw/zinc/39/79/91/164397991.db2.gz MAJAYXZFSYJLGY-GOEBONIOSA-N 2 2 349.450 3.194 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccc(F)cc3o2)[C@@H](C)C1 ZINC000346565000 164397992 /nfs/dbraw/zinc/39/79/92/164397992.db2.gz MAJAYXZFSYJLGY-GOEBONIOSA-N 2 2 349.450 3.194 20 0 EGADLP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000348099679 164629778 /nfs/dbraw/zinc/62/97/78/164629778.db2.gz CKLXAKXKNQRCTN-UKRRQHHQSA-N 2 2 325.334 3.072 20 0 EGADLP Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024246 165197406 /nfs/dbraw/zinc/19/74/06/165197406.db2.gz FESFZNWMNKJFHT-JKSUJKDBSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000352024246 165197407 /nfs/dbraw/zinc/19/74/07/165197407.db2.gz FESFZNWMNKJFHT-JKSUJKDBSA-N 2 2 339.439 3.347 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000352052568 165211511 /nfs/dbraw/zinc/21/15/11/165211511.db2.gz MIYFTJHFFRANPW-QAPCUYQASA-N 2 2 328.460 3.216 20 0 EGADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355025993 166088926 /nfs/dbraw/zinc/08/89/26/166088926.db2.gz KTNZQRKPOSJPCZ-FQEVSTJZSA-N 2 2 339.483 3.495 20 0 EGADLP CCN(Cc1cc(OC)cc(C)[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355025993 166088927 /nfs/dbraw/zinc/08/89/27/166088927.db2.gz KTNZQRKPOSJPCZ-FQEVSTJZSA-N 2 2 339.483 3.495 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000352219996 165291505 /nfs/dbraw/zinc/29/15/05/165291505.db2.gz UOKFIUGAEDKCBJ-UHFFFAOYSA-N 2 2 326.444 3.009 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352242849 165304342 /nfs/dbraw/zinc/30/43/42/165304342.db2.gz SJVIHNIKZZMLGA-GFCCVEGCSA-N 2 2 332.473 3.014 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352256021 165313018 /nfs/dbraw/zinc/31/30/18/165313018.db2.gz FRLKAVUGJVCJHY-UHFFFAOYSA-N 3 2 343.500 3.043 20 0 EGADLP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352429407 165397382 /nfs/dbraw/zinc/39/73/82/165397382.db2.gz BBZGESGSWLDJBZ-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352429407 165397384 /nfs/dbraw/zinc/39/73/84/165397384.db2.gz BBZGESGSWLDJBZ-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352429407 165397386 /nfs/dbraw/zinc/39/73/86/165397386.db2.gz BBZGESGSWLDJBZ-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352429407 165397387 /nfs/dbraw/zinc/39/73/87/165397387.db2.gz BBZGESGSWLDJBZ-PMACEKPBSA-N 2 2 338.499 3.418 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000353240459 165690879 /nfs/dbraw/zinc/69/08/79/165690879.db2.gz ZFKYPYWRKJFLIH-BEFAXECRSA-N 2 2 332.488 3.118 20 0 EGADLP Cc1cnc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237220 166143478 /nfs/dbraw/zinc/14/34/78/166143478.db2.gz MECKCKKFIUXQBI-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237220 166143480 /nfs/dbraw/zinc/14/34/80/166143480.db2.gz MECKCKKFIUXQBI-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000355237220 166143482 /nfs/dbraw/zinc/14/34/82/166143482.db2.gz MECKCKKFIUXQBI-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000355237220 166143486 /nfs/dbraw/zinc/14/34/86/166143486.db2.gz MECKCKKFIUXQBI-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000355364199 166175510 /nfs/dbraw/zinc/17/55/10/166175510.db2.gz KOXCGGPEKLKQCY-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000355364199 166175511 /nfs/dbraw/zinc/17/55/11/166175511.db2.gz KOXCGGPEKLKQCY-ZDUSSCGKSA-N 2 2 349.276 3.032 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000359052912 167051421 /nfs/dbraw/zinc/05/14/21/167051421.db2.gz HCWNJSTXNMFDDN-RBUKOAKNSA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000359052912 167051422 /nfs/dbraw/zinc/05/14/22/167051422.db2.gz HCWNJSTXNMFDDN-RBUKOAKNSA-N 2 2 328.456 3.047 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000359080541 167061804 /nfs/dbraw/zinc/06/18/04/167061804.db2.gz QUWDPNJKIVUGAM-PZJWPPBQSA-N 3 2 342.531 3.176 20 0 EGADLP [NH3+]CCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1 ZINC000359460806 167163325 /nfs/dbraw/zinc/16/33/25/167163325.db2.gz XCRCWXIDCUIWMN-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1 ZINC000359460806 167163328 /nfs/dbraw/zinc/16/33/28/167163328.db2.gz XCRCWXIDCUIWMN-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360543657 167353747 /nfs/dbraw/zinc/35/37/47/167353747.db2.gz IHMVASOQFYKDLN-MEDUHNTESA-N 2 2 342.270 3.006 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360543657 167353750 /nfs/dbraw/zinc/35/37/50/167353750.db2.gz IHMVASOQFYKDLN-MEDUHNTESA-N 2 2 342.270 3.006 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000365817752 168047087 /nfs/dbraw/zinc/04/70/87/168047087.db2.gz CLLUKBURWYAOCL-CQSZACIVSA-N 2 2 333.505 3.102 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(C(C)(C)C)on3)CC2)C[C@H](C)O1 ZINC000365985889 168067839 /nfs/dbraw/zinc/06/78/39/168067839.db2.gz DXBOYINCGXHFCW-IYBDPMFKSA-N 2 2 349.519 3.293 20 0 EGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(C(C)(C)C)on3)CC2)C[C@H](C)O1 ZINC000365985889 168067841 /nfs/dbraw/zinc/06/78/41/168067841.db2.gz DXBOYINCGXHFCW-IYBDPMFKSA-N 2 2 349.519 3.293 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168096002 /nfs/dbraw/zinc/09/60/02/168096002.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168096003 /nfs/dbraw/zinc/09/60/03/168096003.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168096004 /nfs/dbraw/zinc/09/60/04/168096004.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000366224803 168096005 /nfs/dbraw/zinc/09/60/05/168096005.db2.gz ZEXQDWPURNAUJK-GIVPXCGWSA-N 3 2 329.532 3.219 20 0 EGADLP Clc1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401505 168220314 /nfs/dbraw/zinc/22/03/14/168220314.db2.gz ZPBVFLQQQQLOAU-QZTJIDSGSA-N 2 2 344.890 3.301 20 0 EGADLP Clc1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnn1Cc1ccccc1 ZINC000367401505 168220317 /nfs/dbraw/zinc/22/03/17/168220317.db2.gz ZPBVFLQQQQLOAU-QZTJIDSGSA-N 2 2 344.890 3.301 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(N2CCCC2=O)cc1 ZINC000367439422 168226155 /nfs/dbraw/zinc/22/61/55/168226155.db2.gz ULTJDHYKQAJOET-HNNXBMFYSA-N 2 2 338.455 3.197 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000367703059 168260625 /nfs/dbraw/zinc/26/06/25/168260625.db2.gz MTJOTUNAIJDSRN-OAHLLOKOSA-N 2 2 327.428 3.055 20 0 EGADLP COCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159350204 225200388 /nfs/dbraw/zinc/20/03/88/225200388.db2.gz BLJUSKCFEXZHAW-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP COCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159350204 225200392 /nfs/dbraw/zinc/20/03/92/225200392.db2.gz BLJUSKCFEXZHAW-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCCOc3ccccc3)c12 ZINC000178853286 265345315 /nfs/dbraw/zinc/34/53/15/265345315.db2.gz TXXSDPMPFYPXGI-UHFFFAOYSA-N 2 2 346.394 3.092 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)C[N@@H+]1C1CC1 ZINC000222688884 266196758 /nfs/dbraw/zinc/19/67/58/266196758.db2.gz ZAMUXEMSSHNNIE-QWRGUYRKSA-N 2 2 329.307 3.268 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)C[N@H+]1C1CC1 ZINC000222688884 266196760 /nfs/dbraw/zinc/19/67/60/266196760.db2.gz ZAMUXEMSSHNNIE-QWRGUYRKSA-N 2 2 329.307 3.268 20 0 EGADLP C[C@@H](CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000269737996 266349595 /nfs/dbraw/zinc/34/95/95/266349595.db2.gz LSHXBQBCOUUXFU-SFHVURJKSA-N 2 2 345.531 3.055 20 0 EGADLP C[C@@H](CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000269737996 266349598 /nfs/dbraw/zinc/34/95/98/266349598.db2.gz LSHXBQBCOUUXFU-SFHVURJKSA-N 2 2 345.531 3.055 20 0 EGADLP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](CCc2ccccc2)C(F)F)CC1 ZINC000272603467 266880450 /nfs/dbraw/zinc/88/04/50/266880450.db2.gz YCSFJIWLKRVAFZ-QGZVFWFLSA-N 2 2 340.458 3.078 20 0 EGADLP CCc1ccc(-c2noc([C@@H](C)[NH2+]CCn3cc[nH+]c3C)n2)cc1 ZINC000273333209 267022375 /nfs/dbraw/zinc/02/23/75/267022375.db2.gz SWLFJPWWUUNKRO-CYBMUJFWSA-N 2 2 325.416 3.155 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000275541786 267378694 /nfs/dbraw/zinc/37/86/94/267378694.db2.gz MRVABSDQNSFFJL-WFASDCNBSA-N 2 2 334.489 3.184 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000278384149 268001259 /nfs/dbraw/zinc/00/12/59/268001259.db2.gz FJUDEXYQOPXQQJ-MAUKXSAKSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000278384149 268001263 /nfs/dbraw/zinc/00/12/63/268001263.db2.gz FJUDEXYQOPXQQJ-MAUKXSAKSA-N 2 2 345.487 3.019 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000345744545 274203665 /nfs/dbraw/zinc/20/36/65/274203665.db2.gz YTULQINIIGUFDD-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000345744545 274203666 /nfs/dbraw/zinc/20/36/66/274203666.db2.gz YTULQINIIGUFDD-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000345744545 274203668 /nfs/dbraw/zinc/20/36/68/274203668.db2.gz YTULQINIIGUFDD-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345744545 274203669 /nfs/dbraw/zinc/20/36/69/274203669.db2.gz YTULQINIIGUFDD-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP c1nn(-c2ccccc2)c2nc[nH+]c(NCCCNc3cccc[nH+]3)c12 ZINC000047405180 275141570 /nfs/dbraw/zinc/14/15/70/275141570.db2.gz VVKIEHDZJPQXON-UHFFFAOYSA-N 2 2 345.410 3.125 20 0 EGADLP C[N@H+]1CC=C(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000271902825 275240042 /nfs/dbraw/zinc/24/00/42/275240042.db2.gz WBAKJPPKAQKWAT-UHFFFAOYSA-N 3 2 333.907 3.156 20 0 EGADLP C[N@@H+]1CC=C(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000271902825 275240044 /nfs/dbraw/zinc/24/00/44/275240044.db2.gz WBAKJPPKAQKWAT-UHFFFAOYSA-N 3 2 333.907 3.156 20 0 EGADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000272301651 275244050 /nfs/dbraw/zinc/24/40/50/275244050.db2.gz RIMMQZUYFHUMOE-YJBOKZPZSA-N 2 2 340.471 3.404 20 0 EGADLP Cn1cc([C@H]([NH2+]CC[C@@H]2CCCC[N@@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891186 275248213 /nfs/dbraw/zinc/24/82/13/275248213.db2.gz PVYCUHVLOSFGAT-RBUKOAKNSA-N 2 2 330.451 3.113 20 0 EGADLP Cn1cc([C@H]([NH2+]CC[C@@H]2CCCC[N@H+]2C)c2ccc(F)cc2)cn1 ZINC000274891186 275248215 /nfs/dbraw/zinc/24/82/15/275248215.db2.gz PVYCUHVLOSFGAT-RBUKOAKNSA-N 2 2 330.451 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000278763839 275272746 /nfs/dbraw/zinc/27/27/46/275272746.db2.gz GCXWOILHZUTXGX-UHFFFAOYSA-N 2 2 326.444 3.131 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000278956470 275290967 /nfs/dbraw/zinc/29/09/67/275290967.db2.gz NLRJNWXWADQZQN-UHFFFAOYSA-N 2 2 325.412 3.069 20 0 EGADLP FC1(F)CC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000280450045 275452470 /nfs/dbraw/zinc/45/24/70/275452470.db2.gz VIAXDONUGLGHNN-NSHDSACASA-N 2 2 330.342 3.058 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)c1ccccc1 ZINC000284035845 275769446 /nfs/dbraw/zinc/76/94/46/275769446.db2.gz JMUXXPUULLYKIH-FUHWJXTLSA-N 2 2 329.492 3.074 20 0 EGADLP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000287296964 276105379 /nfs/dbraw/zinc/10/53/79/276105379.db2.gz MLZWTPSAPUKKJF-UHFFFAOYSA-N 2 2 333.863 3.171 20 0 EGADLP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000287296964 276105380 /nfs/dbraw/zinc/10/53/80/276105380.db2.gz MLZWTPSAPUKKJF-UHFFFAOYSA-N 2 2 333.863 3.171 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCO1 ZINC000287455314 276121134 /nfs/dbraw/zinc/12/11/34/276121134.db2.gz LOZICUXIDNOFKV-SZMVWBNQSA-N 2 2 343.475 3.275 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000342786799 276144477 /nfs/dbraw/zinc/14/44/77/276144477.db2.gz UFCUCEGAFAMTGM-MJGOQNOKSA-N 2 2 326.488 3.386 20 0 EGADLP CCN(Cc1[nH+]cc(C)n1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000342786799 276144480 /nfs/dbraw/zinc/14/44/80/276144480.db2.gz UFCUCEGAFAMTGM-MJGOQNOKSA-N 2 2 326.488 3.386 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288731829 276246276 /nfs/dbraw/zinc/24/62/76/276246276.db2.gz FQYRQVYFFMGWAY-SJLPKXTDSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288731829 276246277 /nfs/dbraw/zinc/24/62/77/276246277.db2.gz FQYRQVYFFMGWAY-SJLPKXTDSA-N 2 2 338.455 3.483 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000289251973 276311247 /nfs/dbraw/zinc/31/12/47/276311247.db2.gz BNOKZZVSDCFHDR-MRXNPFEDSA-N 2 2 342.491 3.008 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000289251973 276311248 /nfs/dbraw/zinc/31/12/48/276311248.db2.gz BNOKZZVSDCFHDR-MRXNPFEDSA-N 2 2 342.491 3.008 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000289350850 276326250 /nfs/dbraw/zinc/32/62/50/276326250.db2.gz XJYFVEPEZPZGKD-SFTDATJTSA-N 2 2 340.467 3.147 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000289350850 276326251 /nfs/dbraw/zinc/32/62/51/276326251.db2.gz XJYFVEPEZPZGKD-SFTDATJTSA-N 2 2 340.467 3.147 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]CCCc3c[nH+]ccc3C)n2)c1 ZINC000289589551 276362632 /nfs/dbraw/zinc/36/26/32/276362632.db2.gz IKXINAHPKQWPQP-HNNXBMFYSA-N 2 2 336.443 3.162 20 0 EGADLP COc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1O ZINC000289894276 276414730 /nfs/dbraw/zinc/41/47/30/276414730.db2.gz XEOKBUBETXEEHS-KUHUBIRLSA-N 2 2 344.455 3.190 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1O ZINC000289991434 276431120 /nfs/dbraw/zinc/43/11/20/276431120.db2.gz YKIQCQIWBIFIFC-ZDUSSCGKSA-N 2 2 338.411 3.141 20 0 EGADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000290037550 276438032 /nfs/dbraw/zinc/43/80/32/276438032.db2.gz SGDPMBJZZDATSZ-ROUUACIJSA-N 2 2 338.455 3.213 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000291144849 276596456 /nfs/dbraw/zinc/59/64/56/276596456.db2.gz YPBVMFUKKKWBJW-UHFFFAOYSA-N 2 2 342.842 3.098 20 0 EGADLP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000122793531 278009766 /nfs/dbraw/zinc/00/97/66/278009766.db2.gz IYDWFRWHPVEERM-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1OC(F)F ZINC000122793531 278009769 /nfs/dbraw/zinc/00/97/69/278009769.db2.gz IYDWFRWHPVEERM-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000122793531 278009770 /nfs/dbraw/zinc/00/97/70/278009770.db2.gz IYDWFRWHPVEERM-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000122793531 278009772 /nfs/dbraw/zinc/00/97/72/278009772.db2.gz IYDWFRWHPVEERM-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000353342441 278164207 /nfs/dbraw/zinc/16/42/07/278164207.db2.gz FJXIOJKOMJMEPU-OAHLLOKOSA-N 2 2 342.549 3.058 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000342120984 278340425 /nfs/dbraw/zinc/34/04/25/278340425.db2.gz BAILCUPAJGUSFO-SECBINFHSA-N 2 2 349.784 3.157 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341336442 280281193 /nfs/dbraw/zinc/28/11/93/280281193.db2.gz IDGGGMQGKIWLBP-GHTZIAJQSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341336442 280281195 /nfs/dbraw/zinc/28/11/95/280281195.db2.gz IDGGGMQGKIWLBP-GHTZIAJQSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)CCC2 ZINC000378014708 281547047 /nfs/dbraw/zinc/54/70/47/281547047.db2.gz YAUJSJAIBIVTOR-OAHLLOKOSA-N 2 2 348.491 3.058 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1C[C@@H](C)Sc2sccc21 ZINC000358159310 289485996 /nfs/dbraw/zinc/48/59/96/289485996.db2.gz QMQISCALPJGVNT-NFAWXSAZSA-N 2 2 326.531 3.374 20 0 EGADLP COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000353521921 293314046 /nfs/dbraw/zinc/31/40/46/293314046.db2.gz QYACWDBQNOMMPI-XOQYZJNISA-N 2 2 325.456 3.459 20 0 EGADLP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000353521921 293314050 /nfs/dbraw/zinc/31/40/50/293314050.db2.gz QYACWDBQNOMMPI-XOQYZJNISA-N 2 2 325.456 3.459 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000072630385 307380878 /nfs/dbraw/zinc/38/08/78/307380878.db2.gz LELWKPCJSHVZHA-KRWDZBQOSA-N 2 2 325.541 3.124 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000072630385 307380879 /nfs/dbraw/zinc/38/08/79/307380879.db2.gz LELWKPCJSHVZHA-KRWDZBQOSA-N 2 2 325.541 3.124 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868438 307382965 /nfs/dbraw/zinc/38/29/65/307382965.db2.gz CADRQPMDGBSVMW-ICSRJNTNSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868438 307382967 /nfs/dbraw/zinc/38/29/67/307382967.db2.gz CADRQPMDGBSVMW-ICSRJNTNSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868438 307382968 /nfs/dbraw/zinc/38/29/68/307382968.db2.gz CADRQPMDGBSVMW-ICSRJNTNSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868438 307382969 /nfs/dbraw/zinc/38/29/69/307382969.db2.gz CADRQPMDGBSVMW-ICSRJNTNSA-N 2 2 345.531 3.135 20 0 EGADLP Cc1cccn2c(CNc3ccccc3C[NH+]3CCOCC3)c[nH+]c12 ZINC000120953259 307513208 /nfs/dbraw/zinc/51/32/08/307513208.db2.gz JRPFEWZGLQBVSB-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414088080 309060413 /nfs/dbraw/zinc/06/04/13/309060413.db2.gz BPKMWXCDTFLZHG-ABSDTBQOSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414088080 309060414 /nfs/dbraw/zinc/06/04/14/309060414.db2.gz BPKMWXCDTFLZHG-ABSDTBQOSA-N 2 2 338.499 3.391 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153148980 307767128 /nfs/dbraw/zinc/76/71/28/307767128.db2.gz CCTDKFUHXXWEKZ-ZIAGYGMSSA-N 2 2 325.522 3.194 20 0 EGADLP Cc1ccccc1CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163031507 307918798 /nfs/dbraw/zinc/91/87/98/307918798.db2.gz LOWRYBDNHGUFBF-UHFFFAOYSA-N 2 2 330.395 3.174 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000414375387 309076441 /nfs/dbraw/zinc/07/64/41/309076441.db2.gz RPZMYBZJZXAMPN-UHFFFAOYSA-N 2 2 330.451 3.282 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000248431345 308002906 /nfs/dbraw/zinc/00/29/06/308002906.db2.gz XBSOCUFGTYRILH-LAUBAEHRSA-N 2 2 348.494 3.226 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1nn(C)c2ccccc12 ZINC000248431345 308002908 /nfs/dbraw/zinc/00/29/08/308002908.db2.gz XBSOCUFGTYRILH-LAUBAEHRSA-N 2 2 348.494 3.226 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292954094 308083840 /nfs/dbraw/zinc/08/38/40/308083840.db2.gz KTMAOSVVJGYTOQ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292954094 308083842 /nfs/dbraw/zinc/08/38/42/308083842.db2.gz KTMAOSVVJGYTOQ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292954094 308083843 /nfs/dbraw/zinc/08/38/43/308083843.db2.gz KTMAOSVVJGYTOQ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292954094 308083844 /nfs/dbraw/zinc/08/38/44/308083844.db2.gz KTMAOSVVJGYTOQ-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293646032 308149097 /nfs/dbraw/zinc/14/90/97/308149097.db2.gz HNMWGDNSFUPNNV-CVEARBPZSA-N 2 2 328.460 3.075 20 0 EGADLP C[C@H](CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C[NH+](C)C ZINC000293706439 308154637 /nfs/dbraw/zinc/15/46/37/308154637.db2.gz IWRZAQHOISVOFV-CYBMUJFWSA-N 2 2 347.846 3.455 20 0 EGADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000294659101 308243167 /nfs/dbraw/zinc/24/31/67/308243167.db2.gz CLRVUJLQZKFSEK-QZTJIDSGSA-N 2 2 345.874 3.067 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294884929 308267755 /nfs/dbraw/zinc/26/77/55/308267755.db2.gz QZZHCVKKYSITKY-KRWDZBQOSA-N 2 2 329.488 3.260 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588533 308341110 /nfs/dbraw/zinc/34/11/10/308341110.db2.gz DZRCYDHUINBKCQ-KDOFPFPSSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588533 308341111 /nfs/dbraw/zinc/34/11/11/308341111.db2.gz DZRCYDHUINBKCQ-KDOFPFPSSA-N 2 2 331.410 3.360 20 0 EGADLP COCC1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000295794560 308360544 /nfs/dbraw/zinc/36/05/44/308360544.db2.gz SHOLXFDNSVZMSQ-MUYFXNHWSA-N 2 2 331.504 3.402 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]CCCc1[nH]c3ccccc3[nH+]1)CO2 ZINC000296144094 308398049 /nfs/dbraw/zinc/39/80/49/308398049.db2.gz WLIHHYRCCSIDAI-HNNXBMFYSA-N 2 2 337.423 3.097 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414656232 309093846 /nfs/dbraw/zinc/09/38/46/309093846.db2.gz ICZGIURYTRUSJT-HNNXBMFYSA-N 2 2 340.496 3.439 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414656232 309093847 /nfs/dbraw/zinc/09/38/47/309093847.db2.gz ICZGIURYTRUSJT-HNNXBMFYSA-N 2 2 340.496 3.439 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000414663384 309094384 /nfs/dbraw/zinc/09/43/84/309094384.db2.gz RYPJLCQSOAHOTF-UHFFFAOYSA-N 2 2 342.462 3.284 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000414661754 309094438 /nfs/dbraw/zinc/09/44/38/309094438.db2.gz XVAMYYLICZNRJU-NRFANRHFSA-N 2 2 346.478 3.440 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000414661754 309094439 /nfs/dbraw/zinc/09/44/39/309094439.db2.gz XVAMYYLICZNRJU-NRFANRHFSA-N 2 2 346.478 3.440 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414738024 309098120 /nfs/dbraw/zinc/09/81/20/309098120.db2.gz AXLVZWAIOMQHCV-NJAFHUGGSA-N 3 2 326.488 3.197 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414738024 309098121 /nfs/dbraw/zinc/09/81/21/309098121.db2.gz AXLVZWAIOMQHCV-NJAFHUGGSA-N 3 2 326.488 3.197 20 0 EGADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000414749019 309098730 /nfs/dbraw/zinc/09/87/30/309098730.db2.gz PIGPKXPNWPXKRQ-KRWDZBQOSA-N 2 2 346.519 3.217 20 0 EGADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[NH2+]C(C)(C)C)C2)cc1 ZINC000414749019 309098731 /nfs/dbraw/zinc/09/87/31/309098731.db2.gz PIGPKXPNWPXKRQ-KRWDZBQOSA-N 2 2 346.519 3.217 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000297369361 308527334 /nfs/dbraw/zinc/52/73/34/308527334.db2.gz GJGXDSMDPLWLNP-UTKZUKDTSA-N 3 2 338.499 3.331 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000414771277 309099735 /nfs/dbraw/zinc/09/97/35/309099735.db2.gz QVNUKGCRINLNSH-BEFAXECRSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000414771277 309099736 /nfs/dbraw/zinc/09/97/36/309099736.db2.gz QVNUKGCRINLNSH-BEFAXECRSA-N 2 2 325.456 3.316 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OCC ZINC000414845493 309105107 /nfs/dbraw/zinc/10/51/07/309105107.db2.gz MBASJEAAPHCYQE-CQSZACIVSA-N 2 2 326.868 3.369 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000414846524 309105120 /nfs/dbraw/zinc/10/51/20/309105120.db2.gz NINGZHBXLUXOLH-UHFFFAOYSA-N 2 2 341.171 3.047 20 0 EGADLP Cc1cc(NC(=O)N2CCCC[C@H]2C[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000332554615 308839544 /nfs/dbraw/zinc/83/95/44/308839544.db2.gz RLDBYQWUZHCUHG-WBVHZDCISA-N 2 2 345.491 3.114 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000333169555 308851865 /nfs/dbraw/zinc/85/18/65/308851865.db2.gz PMTUQZTVOFPSBC-ZMSDIMECSA-N 2 2 345.491 3.031 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cc(NC5CC5)[nH+]cn4)C3)C2)cc1 ZINC000413284497 309025199 /nfs/dbraw/zinc/02/51/99/309025199.db2.gz VBDYIWSSLQOZAD-NRFANRHFSA-N 2 2 349.482 3.153 20 0 EGADLP c1ccc(C[N@H+]2CC[C@]3(CCN(c4cc(NC5CC5)[nH+]cn4)C3)C2)cc1 ZINC000413284497 309025200 /nfs/dbraw/zinc/02/52/00/309025200.db2.gz VBDYIWSSLQOZAD-NRFANRHFSA-N 2 2 349.482 3.153 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cc(NC5CC5)nc[nH+]4)C3)C2)cc1 ZINC000413284497 309025201 /nfs/dbraw/zinc/02/52/01/309025201.db2.gz VBDYIWSSLQOZAD-NRFANRHFSA-N 2 2 349.482 3.153 20 0 EGADLP c1ccc(C[N@H+]2CC[C@]3(CCN(c4cc(NC5CC5)nc[nH+]4)C3)C2)cc1 ZINC000413284497 309025202 /nfs/dbraw/zinc/02/52/02/309025202.db2.gz VBDYIWSSLQOZAD-NRFANRHFSA-N 2 2 349.482 3.153 20 0 EGADLP c1c(C[NH2+]C[C@@H]2CCC[NH2+]2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000414853347 309105668 /nfs/dbraw/zinc/10/56/68/309105668.db2.gz XQBCCSQZVHXATD-IBGZPJMESA-N 2 2 332.451 3.381 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414870266 309106395 /nfs/dbraw/zinc/10/63/95/309106395.db2.gz BXGREMHMYIPLMT-UHFFFAOYSA-N 2 2 326.488 3.200 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1OCc1ccccc1 ZINC000414924692 309109715 /nfs/dbraw/zinc/10/97/15/309109715.db2.gz IZOKAGGLBRNPOO-VQIMIIECSA-N 2 2 340.467 3.362 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414933123 309110056 /nfs/dbraw/zinc/11/00/56/309110056.db2.gz ANCNALSAWYQJQU-SKDRFNHKSA-N 2 2 349.219 3.281 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414952397 309111057 /nfs/dbraw/zinc/11/10/57/309111057.db2.gz IDOQGVKGMWWCRR-CTNGQTDRSA-N 2 2 342.458 3.250 20 0 EGADLP COc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000414956798 309111401 /nfs/dbraw/zinc/11/14/01/309111401.db2.gz VQRVZOPFGOZLIL-CRAIPNDOSA-N 2 2 332.394 3.209 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000414957815 309111566 /nfs/dbraw/zinc/11/15/66/309111566.db2.gz OTNXTOYKHILYND-VQIMIIECSA-N 2 2 348.441 3.053 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1O ZINC000414957000 309111571 /nfs/dbraw/zinc/11/15/71/309111571.db2.gz PCWOTRXKXYJOGD-BEFAXECRSA-N 2 2 340.467 3.199 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OCCOC)cc1 ZINC000415070032 309118101 /nfs/dbraw/zinc/11/81/01/309118101.db2.gz UFRWMBJTHJHFAV-FQEVSTJZSA-N 2 2 328.456 3.064 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)cn1 ZINC000415068615 309118121 /nfs/dbraw/zinc/11/81/21/309118121.db2.gz RKYRTFFTSXGQTL-INIZCTEOSA-N 2 2 334.261 3.196 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415076517 309118538 /nfs/dbraw/zinc/11/85/38/309118538.db2.gz CSLGMHJYBFAVSL-LPHOPBHVSA-N 2 2 326.488 3.128 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)c2cccs2)CC1 ZINC000415079513 309118882 /nfs/dbraw/zinc/11/88/82/309118882.db2.gz HWOZSMGVYJMSSP-KZNAEPCWSA-N 3 2 335.561 3.499 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415085190 309119116 /nfs/dbraw/zinc/11/91/16/309119116.db2.gz QMJVNINRPUGSDN-MBPVOVBZSA-N 3 2 342.531 3.117 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000415127469 309122326 /nfs/dbraw/zinc/12/23/26/309122326.db2.gz IEISRSVDDIKTOF-HBFSDRIKSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH3+])C1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000415193102 309125787 /nfs/dbraw/zinc/12/57/87/309125787.db2.gz XXKVQLLQMNVKSQ-AWEZNQCLSA-N 2 2 340.427 3.465 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000415289951 309129896 /nfs/dbraw/zinc/12/98/96/309129896.db2.gz BDJBGYJOUMCHHG-QGZVFWFLSA-N 2 2 341.459 3.176 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000415905439 309147259 /nfs/dbraw/zinc/14/72/59/309147259.db2.gz ILPBGVYNJRMSMT-YJBOKZPZSA-N 2 2 341.459 3.108 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415953305 309150975 /nfs/dbraw/zinc/15/09/75/309150975.db2.gz FLTSDIJKHKLRFZ-KRWDZBQOSA-N 2 2 341.459 3.382 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417793058 309222635 /nfs/dbraw/zinc/22/26/35/309222635.db2.gz JSKRNZXJQPPJAO-TZIWHRDSSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1c[nH+]cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000417793058 309222636 /nfs/dbraw/zinc/22/26/36/309222636.db2.gz JSKRNZXJQPPJAO-TZIWHRDSSA-N 2 2 338.499 3.390 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3COCc4ccccc43)sc2C1 ZINC000418111203 309236012 /nfs/dbraw/zinc/23/60/12/309236012.db2.gz XKOBPWBAMBUSFQ-QGZVFWFLSA-N 2 2 343.496 3.271 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3COCc4ccccc43)sc2C1 ZINC000418111203 309236013 /nfs/dbraw/zinc/23/60/13/309236013.db2.gz XKOBPWBAMBUSFQ-QGZVFWFLSA-N 2 2 343.496 3.271 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419294500 309263490 /nfs/dbraw/zinc/26/34/90/309263490.db2.gz OZRONMAMDMTBLY-HNNXBMFYSA-N 2 2 329.488 3.183 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC2(c3cccc(F)c3F)CCCC2)n1C ZINC000419694549 309271093 /nfs/dbraw/zinc/27/10/93/309271093.db2.gz KRLNELSUYDKMIG-UHFFFAOYSA-N 2 2 348.441 3.366 20 0 EGADLP Brc1ccc2c(cc[nH+]c2N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420259889 309278430 /nfs/dbraw/zinc/27/84/30/309278430.db2.gz MWIBOHAOMVVPKJ-QWHCGFSZSA-N 2 2 332.245 3.043 20 0 EGADLP COC(=O)c1ccc(-c2nc(C[N@H+](C)CC(C)(C)C[NH3+])cs2)cc1 ZINC000420292577 309279758 /nfs/dbraw/zinc/27/97/58/309279758.db2.gz PPKROEXAAUMTPN-UHFFFAOYSA-N 2 2 347.484 3.013 20 0 EGADLP COC(=O)c1ccc(-c2nc(C[N@@H+](C)CC(C)(C)C[NH3+])cs2)cc1 ZINC000420292577 309279759 /nfs/dbraw/zinc/27/97/59/309279759.db2.gz PPKROEXAAUMTPN-UHFFFAOYSA-N 2 2 347.484 3.013 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420294633 309279806 /nfs/dbraw/zinc/27/98/06/309279806.db2.gz TXKRSZPYOUHHNM-NSHDSACASA-N 2 2 334.876 3.495 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420294633 309279807 /nfs/dbraw/zinc/27/98/07/309279807.db2.gz TXKRSZPYOUHHNM-NSHDSACASA-N 2 2 334.876 3.495 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420314180 309281537 /nfs/dbraw/zinc/28/15/37/309281537.db2.gz VHJFSXBMYOPEIF-IRLDBZIGSA-N 2 2 349.478 3.360 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420314180 309281538 /nfs/dbraw/zinc/28/15/38/309281538.db2.gz VHJFSXBMYOPEIF-IRLDBZIGSA-N 2 2 349.478 3.360 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420321507 309282061 /nfs/dbraw/zinc/28/20/61/309282061.db2.gz VJZJFJNWPQYKNM-QFIPXVFZSA-N 2 2 349.478 3.121 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420321507 309282062 /nfs/dbraw/zinc/28/20/62/309282062.db2.gz VJZJFJNWPQYKNM-QFIPXVFZSA-N 2 2 349.478 3.121 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000420339342 309283308 /nfs/dbraw/zinc/28/33/08/309283308.db2.gz SMBLMBHHRJKRHH-UHFFFAOYSA-N 2 2 339.439 3.147 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000420339342 309283309 /nfs/dbraw/zinc/28/33/09/309283309.db2.gz SMBLMBHHRJKRHH-UHFFFAOYSA-N 2 2 339.439 3.147 20 0 EGADLP FC(F)(F)c1cccc(OCCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420345388 309283433 /nfs/dbraw/zinc/28/34/33/309283433.db2.gz WBWBICNAAALMIQ-CJNGLKHVSA-N 2 2 328.378 3.158 20 0 EGADLP FC(F)(F)c1cccc(OCCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420345388 309283434 /nfs/dbraw/zinc/28/34/34/309283434.db2.gz WBWBICNAAALMIQ-CJNGLKHVSA-N 2 2 328.378 3.158 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1c(F)ccc(Br)c1F ZINC000420358746 309284044 /nfs/dbraw/zinc/28/40/44/309284044.db2.gz JCWRZURIEFFYPM-GFCCVEGCSA-N 2 2 333.220 3.205 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000420368762 309284683 /nfs/dbraw/zinc/28/46/83/309284683.db2.gz UONGWTUJYGFFIC-INIZCTEOSA-N 2 2 349.475 3.339 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000420373463 309284770 /nfs/dbraw/zinc/28/47/70/309284770.db2.gz ZGOVKQWYQKVHBF-GOSISDBHSA-N 2 2 331.504 3.315 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)c(F)c1 ZINC000420898089 309299816 /nfs/dbraw/zinc/29/98/16/309299816.db2.gz CGXHNEXPHFYJBZ-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(F)c(F)c1 ZINC000420898089 309299817 /nfs/dbraw/zinc/29/98/17/309299817.db2.gz CGXHNEXPHFYJBZ-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@H+](Cc1ccc(Cl)c2ccccc12)C1CC[NH+](CCO)CC1 ZINC000420899153 309299959 /nfs/dbraw/zinc/29/99/59/309299959.db2.gz DYIPSRRWFDSBOT-UHFFFAOYSA-N 2 2 332.875 3.382 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)c2ccccc12)C1CC[NH+](CCO)CC1 ZINC000420899153 309299960 /nfs/dbraw/zinc/29/99/60/309299960.db2.gz DYIPSRRWFDSBOT-UHFFFAOYSA-N 2 2 332.875 3.382 20 0 EGADLP COc1ccc(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420899335 309299977 /nfs/dbraw/zinc/29/99/77/309299977.db2.gz GQPFMILJFYWYFH-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP COc1ccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420899335 309299978 /nfs/dbraw/zinc/29/99/78/309299978.db2.gz GQPFMILJFYWYFH-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(F)cc1F ZINC000420903116 309300132 /nfs/dbraw/zinc/30/01/32/309300132.db2.gz NLMZEWRSYKQDHT-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccc(F)cc1F ZINC000420903116 309300133 /nfs/dbraw/zinc/30/01/33/309300133.db2.gz NLMZEWRSYKQDHT-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@H](C)C1 ZINC000420915711 309300662 /nfs/dbraw/zinc/30/06/62/309300662.db2.gz FWBIGROIICOZFT-RXVVDRJESA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@H](C)C1 ZINC000420915711 309300663 /nfs/dbraw/zinc/30/06/63/309300663.db2.gz FWBIGROIICOZFT-RXVVDRJESA-N 2 2 346.515 3.156 20 0 EGADLP C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420935024 309302352 /nfs/dbraw/zinc/30/23/52/309302352.db2.gz LDBLZSZNOLNRJQ-QGZVFWFLSA-N 2 2 340.467 3.417 20 0 EGADLP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420935024 309302353 /nfs/dbraw/zinc/30/23/53/309302353.db2.gz LDBLZSZNOLNRJQ-QGZVFWFLSA-N 2 2 340.467 3.417 20 0 EGADLP C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420948198 309303558 /nfs/dbraw/zinc/30/35/58/309303558.db2.gz PEHSDTVMKDHHLI-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420948198 309303559 /nfs/dbraw/zinc/30/35/59/309303559.db2.gz PEHSDTVMKDHHLI-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP c1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)nc1 ZINC000420953980 309303803 /nfs/dbraw/zinc/30/38/03/309303803.db2.gz VMYIIVKYBFMWNU-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)nc1 ZINC000420953980 309303804 /nfs/dbraw/zinc/30/38/04/309303804.db2.gz VMYIIVKYBFMWNU-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1cn(-c2cccc(OCc3cccc(C[NH+]4CCOCC4)c3)c2)c[nH+]1 ZINC000421207952 309316377 /nfs/dbraw/zinc/31/63/77/309316377.db2.gz CSXATBHTQVQQJA-UHFFFAOYSA-N 2 2 349.434 3.284 20 0 EGADLP COC1([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000421890586 309345331 /nfs/dbraw/zinc/34/53/31/309345331.db2.gz YANOMBKTUKNPJP-CVEARBPZSA-N 2 2 329.444 3.107 20 0 EGADLP CCC(CC)[C@@H](C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013316 309350913 /nfs/dbraw/zinc/35/09/13/309350913.db2.gz FEHWSKXLCPMGBN-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP CCC(CC)[C@@H](C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422013316 309350914 /nfs/dbraw/zinc/35/09/14/309350914.db2.gz FEHWSKXLCPMGBN-QGZVFWFLSA-N 2 2 337.552 3.077 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422695039 309363303 /nfs/dbraw/zinc/36/33/03/309363303.db2.gz OWVZYDWXBNRGOO-RDTXWAMCSA-N 2 2 327.428 3.113 20 0 EGADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000422695589 309363707 /nfs/dbraw/zinc/36/37/07/309363707.db2.gz QBAWIRYNQXYVQE-HOTGVXAUSA-N 2 2 327.428 3.242 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709367 309364252 /nfs/dbraw/zinc/36/42/52/309364252.db2.gz YZUXCJRNKAYZPG-CZUORRHYSA-N 2 2 342.405 3.094 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422717482 309364654 /nfs/dbraw/zinc/36/46/54/309364654.db2.gz VXBHQRQOWYUUDF-MOPGFXCFSA-N 2 2 329.488 3.436 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000422789075 309368197 /nfs/dbraw/zinc/36/81/97/309368197.db2.gz SZNDCFSFVCSICY-YYWHXJBOSA-N 2 2 325.500 3.146 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422803669 309369220 /nfs/dbraw/zinc/36/92/20/309369220.db2.gz DHOVRRQGHQASOL-CVEARBPZSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000422806425 309369481 /nfs/dbraw/zinc/36/94/81/309369481.db2.gz KPRIEHBBDBYNGY-MBNYWOFBSA-N 2 2 332.366 3.003 20 0 EGADLP COc1cccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000422826360 309370501 /nfs/dbraw/zinc/37/05/01/309370501.db2.gz QVWDHIBNOYGVRE-RNODOKPDSA-N 2 2 344.430 3.130 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1OC(F)F ZINC000422827949 309370534 /nfs/dbraw/zinc/37/05/34/309370534.db2.gz FMAGSQJTYMEXIJ-GUTXKFCHSA-N 2 2 328.403 3.096 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000422838769 309371058 /nfs/dbraw/zinc/37/10/58/309371058.db2.gz XZMKFZWJSCZMBS-VLCRHTCISA-N 2 2 337.511 3.199 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000422838418 309371141 /nfs/dbraw/zinc/37/11/41/309371141.db2.gz XHMXUHIKVYDHRI-NQIIRXRSSA-N 2 2 348.494 3.174 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838418 309371142 /nfs/dbraw/zinc/37/11/42/309371142.db2.gz XHMXUHIKVYDHRI-NQIIRXRSSA-N 2 2 348.494 3.174 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422868664 309372905 /nfs/dbraw/zinc/37/29/05/309372905.db2.gz VHMFYQZNRRLWMK-RTBURBONSA-N 2 2 326.440 3.255 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cn2)c1 ZINC000422900147 309374932 /nfs/dbraw/zinc/37/49/32/309374932.db2.gz PYUBQUUJEJQYJQ-KDOFPFPSSA-N 2 2 327.428 3.113 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000422999826 309380215 /nfs/dbraw/zinc/38/02/15/309380215.db2.gz SXWOZFHMTMQKQK-FEHORTKBSA-N 2 2 332.488 3.042 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423030807 309382073 /nfs/dbraw/zinc/38/20/73/309382073.db2.gz WIWCHEIEKRCLOE-MYLCLEHYSA-N 3 2 327.875 3.187 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423030807 309382074 /nfs/dbraw/zinc/38/20/74/309382074.db2.gz WIWCHEIEKRCLOE-MYLCLEHYSA-N 3 2 327.875 3.187 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423042538 309382706 /nfs/dbraw/zinc/38/27/06/309382706.db2.gz LDYGFDDTJIUCGL-IIYDPXPESA-N 2 2 325.859 3.178 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423048099 309382942 /nfs/dbraw/zinc/38/29/42/309382942.db2.gz HQOQGUZACVIKIN-GUYCJALGSA-N 2 2 342.874 3.275 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423061396 309383727 /nfs/dbraw/zinc/38/37/27/309383727.db2.gz KQBMTERKCNPTEQ-BBRMVZONSA-N 2 2 342.874 3.275 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423093372 309385628 /nfs/dbraw/zinc/38/56/28/309385628.db2.gz HEVOPAJLBOHZGP-CSFVBSKPSA-N 2 2 342.405 3.308 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423101233 309385958 /nfs/dbraw/zinc/38/59/58/309385958.db2.gz VQLOMYXTRNBLJT-ODVANORSSA-N 2 2 342.405 3.308 20 0 EGADLP FC(F)Oc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccn1 ZINC000423111709 309386586 /nfs/dbraw/zinc/38/65/86/309386586.db2.gz WKFZSWZEZFWCEM-JKSUJKDBSA-N 2 2 333.382 3.266 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423133707 309387610 /nfs/dbraw/zinc/38/76/10/309387610.db2.gz VXSVJJJAZHDMSU-FUHIMQAGSA-N 2 2 334.467 3.481 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000423187617 309389624 /nfs/dbraw/zinc/38/96/24/309389624.db2.gz YHVVCGWABMYXPX-INIZCTEOSA-N 2 2 332.879 3.414 20 0 EGADLP FC(F)[C@H](CCc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230414 309391488 /nfs/dbraw/zinc/39/14/88/309391488.db2.gz JFAYQFDJTICINT-KRWDZBQOSA-N 2 2 346.425 3.170 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423231152 309391520 /nfs/dbraw/zinc/39/15/20/309391520.db2.gz FUQYATIPVZWVGM-QMTHXVAHSA-N 2 2 329.669 3.431 20 0 EGADLP COCCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423235923 309391887 /nfs/dbraw/zinc/39/18/87/309391887.db2.gz NQNIWPXGJQBJTN-JKSUJKDBSA-N 2 2 341.293 3.258 20 0 EGADLP COc1ccc(C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccc(OC)cc2)cc1 ZINC000423242424 309391927 /nfs/dbraw/zinc/39/19/27/309391927.db2.gz VPMYGANTXGQFAC-NQIIRXRSSA-N 2 2 340.467 3.329 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)nnn1-c1ccccc1 ZINC000423263516 309392930 /nfs/dbraw/zinc/39/29/30/309392930.db2.gz OREIBNBHWFOQKF-KBXCAEBGSA-N 2 2 327.476 3.134 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423284084 309393950 /nfs/dbraw/zinc/39/39/50/309393950.db2.gz XPVKZYHOBSPNPJ-XRXFAXGQSA-N 3 2 329.532 3.250 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423284084 309393951 /nfs/dbraw/zinc/39/39/51/309393951.db2.gz XPVKZYHOBSPNPJ-XRXFAXGQSA-N 3 2 329.532 3.250 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000423287168 309394168 /nfs/dbraw/zinc/39/41/68/309394168.db2.gz KRIMNJVLPLFYQQ-LBPRGKRZSA-N 2 2 335.883 3.397 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423311351 309394820 /nfs/dbraw/zinc/39/48/20/309394820.db2.gz BWNNSQXHZXKUNG-INIZCTEOSA-N 2 2 328.456 3.249 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423340299 309395924 /nfs/dbraw/zinc/39/59/24/309395924.db2.gz VWLFGMIBZRNPJH-UGSOOPFHSA-N 2 2 347.894 3.269 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000423340715 309396251 /nfs/dbraw/zinc/39/62/51/309396251.db2.gz SZOZRGFVFSIFIA-INIZCTEOSA-N 2 2 341.293 3.042 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423384607 309397975 /nfs/dbraw/zinc/39/79/75/309397975.db2.gz QDQFSOCYHKMIGM-VYDXJSESSA-N 2 2 338.467 3.422 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1C ZINC000423404925 309398672 /nfs/dbraw/zinc/39/86/72/309398672.db2.gz SWERBFCJDIRUGT-QHERXFFYSA-N 2 2 340.467 3.407 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1C ZINC000423404926 309398696 /nfs/dbraw/zinc/39/86/96/309398696.db2.gz SWERBFCJDIRUGT-VTCANLHHSA-N 2 2 340.467 3.407 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423881286 309418379 /nfs/dbraw/zinc/41/83/79/309418379.db2.gz SKFCXOXDKATSAD-HNNXBMFYSA-N 2 2 328.460 3.018 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(F)c1 ZINC000424140834 309430572 /nfs/dbraw/zinc/43/05/72/309430572.db2.gz FPTLPGPQPKWUEI-RTBURBONSA-N 2 2 338.442 3.131 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000424277148 309435949 /nfs/dbraw/zinc/43/59/49/309435949.db2.gz BMYHEYFLJQWDMK-UONOGXRCSA-N 2 2 326.868 3.110 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C3CC3)cs2)c(OC)c1 ZINC000430594853 309612372 /nfs/dbraw/zinc/61/23/72/309612372.db2.gz WJVKZWRFNCHBDJ-GOSISDBHSA-N 2 2 347.484 3.044 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000431799114 309643385 /nfs/dbraw/zinc/64/33/85/309643385.db2.gz JUIQPUVEEPMFKI-DOTOQJQBSA-N 2 2 337.533 3.120 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000436495392 309757308 /nfs/dbraw/zinc/75/73/08/309757308.db2.gz PCBSMGZYLMAMGS-KRWDZBQOSA-N 2 2 330.476 3.347 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)c3ccc(F)cc3)CC2)c1 ZINC000438131911 309807756 /nfs/dbraw/zinc/80/77/56/309807756.db2.gz XPGREWBPBSHALP-HNNXBMFYSA-N 2 2 329.419 3.155 20 0 EGADLP CC[C@@H](NC(=O)c1ccc(OCC[NH+](CC)CC)cc1)c1[nH]cc[nH+]1 ZINC000442804747 309887772 /nfs/dbraw/zinc/88/77/72/309887772.db2.gz XTYDUEMFJKTCFG-QGZVFWFLSA-N 2 2 344.459 3.011 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000442993649 309893204 /nfs/dbraw/zinc/89/32/04/309893204.db2.gz AGQFYSRBMGQVSL-CQSZACIVSA-N 2 2 330.394 3.214 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224713 310045880 /nfs/dbraw/zinc/04/58/80/310045880.db2.gz IPVMVANEYINLHN-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224713 310045881 /nfs/dbraw/zinc/04/58/81/310045881.db2.gz IPVMVANEYINLHN-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224713 310045882 /nfs/dbraw/zinc/04/58/82/310045882.db2.gz IPVMVANEYINLHN-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)[C@@H]2C1 ZINC000449224713 310045883 /nfs/dbraw/zinc/04/58/83/310045883.db2.gz IPVMVANEYINLHN-SUMWQHHRSA-N 2 2 331.460 3.475 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281788 310049692 /nfs/dbraw/zinc/04/96/92/310049692.db2.gz FBHAMZCDQLGGSJ-WFASDCNBSA-N 2 2 342.405 3.182 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281788 310049693 /nfs/dbraw/zinc/04/96/93/310049693.db2.gz FBHAMZCDQLGGSJ-WFASDCNBSA-N 2 2 342.405 3.182 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341162 310055133 /nfs/dbraw/zinc/05/51/33/310055133.db2.gz SBRSONSQGRHCPF-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341162 310055134 /nfs/dbraw/zinc/05/51/34/310055134.db2.gz SBRSONSQGRHCPF-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341162 310055135 /nfs/dbraw/zinc/05/51/35/310055135.db2.gz SBRSONSQGRHCPF-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)C1 ZINC000449341162 310055136 /nfs/dbraw/zinc/05/51/36/310055136.db2.gz SBRSONSQGRHCPF-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C1 ZINC000449362092 310056774 /nfs/dbraw/zinc/05/67/74/310056774.db2.gz MDCVDQAWROTHLU-CZAAIQMYSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)C1 ZINC000449362092 310056775 /nfs/dbraw/zinc/05/67/75/310056775.db2.gz MDCVDQAWROTHLU-CZAAIQMYSA-N 2 2 342.458 3.154 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388164 310058294 /nfs/dbraw/zinc/05/82/94/310058294.db2.gz OHTKOLKLXMYBTD-VQTJNVASSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388164 310058295 /nfs/dbraw/zinc/05/82/95/310058295.db2.gz OHTKOLKLXMYBTD-VQTJNVASSA-N 2 2 332.463 3.198 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394857 310058443 /nfs/dbraw/zinc/05/84/43/310058443.db2.gz HFXSPPQNUOPDHN-LJISPDSOSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394857 310058444 /nfs/dbraw/zinc/05/84/44/310058444.db2.gz HFXSPPQNUOPDHN-LJISPDSOSA-N 2 2 342.936 3.330 20 0 EGADLP CCOc1cccc(C[N@H+](CCO)CCCc2ccc(C)[nH+]c2)c1 ZINC000449763021 310085512 /nfs/dbraw/zinc/08/55/12/310085512.db2.gz NWTBZXACVUSUFV-UHFFFAOYSA-N 2 2 328.456 3.216 20 0 EGADLP CCOc1cccc(C[N@@H+](CCO)CCCc2ccc(C)[nH+]c2)c1 ZINC000449763021 310085513 /nfs/dbraw/zinc/08/55/13/310085513.db2.gz NWTBZXACVUSUFV-UHFFFAOYSA-N 2 2 328.456 3.216 20 0 EGADLP C[N@H+](Cc1ccc2c(c1)CCO2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449789449 310087396 /nfs/dbraw/zinc/08/73/96/310087396.db2.gz ZTLXHEKLCJITEX-UHFFFAOYSA-N 2 2 342.405 3.470 20 0 EGADLP C[N@@H+](Cc1ccc2c(c1)CCO2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449789449 310087397 /nfs/dbraw/zinc/08/73/97/310087397.db2.gz ZTLXHEKLCJITEX-UHFFFAOYSA-N 2 2 342.405 3.470 20 0 EGADLP CN(C)c1nc(N2CCC(CCC[NH+](C)C)CC2)[nH+]c2ccccc21 ZINC000450423053 310121749 /nfs/dbraw/zinc/12/17/49/310121749.db2.gz WJSLWYNNNLZPQN-UHFFFAOYSA-N 2 2 341.503 3.254 20 0 EGADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450532874 310128542 /nfs/dbraw/zinc/12/85/42/310128542.db2.gz RSKRTEMXEVUVPW-SJKOYZFVSA-N 2 2 349.837 3.327 20 0 EGADLP C[C@@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450638215 310134261 /nfs/dbraw/zinc/13/42/61/310134261.db2.gz BLOMKOQHCHSJCH-CYJPLVAVSA-N 2 2 345.575 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450638215 310134262 /nfs/dbraw/zinc/13/42/62/310134262.db2.gz BLOMKOQHCHSJCH-CYJPLVAVSA-N 2 2 345.575 3.161 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918851 310203859 /nfs/dbraw/zinc/20/38/59/310203859.db2.gz YWXLPNHXRNYPIW-HOTGVXAUSA-N 2 2 331.287 3.275 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918851 310203860 /nfs/dbraw/zinc/20/38/60/310203860.db2.gz YWXLPNHXRNYPIW-HOTGVXAUSA-N 2 2 331.287 3.275 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000452342343 310224273 /nfs/dbraw/zinc/22/42/73/310224273.db2.gz HDDGEUISUBYAET-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453074020 310256198 /nfs/dbraw/zinc/25/61/98/310256198.db2.gz BLXFPWUICKDBEC-OAQYLSRUSA-N 2 2 344.499 3.066 20 0 EGADLP CC[N@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000453094320 310257412 /nfs/dbraw/zinc/25/74/12/310257412.db2.gz OIRDBVYOCYAGII-QGZVFWFLSA-N 2 2 332.879 3.237 20 0 EGADLP CC[N@@H+](CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000453094320 310257413 /nfs/dbraw/zinc/25/74/13/310257413.db2.gz OIRDBVYOCYAGII-QGZVFWFLSA-N 2 2 332.879 3.237 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000453167333 310261932 /nfs/dbraw/zinc/26/19/32/310261932.db2.gz AYIVOSMPOMLOCI-KRWDZBQOSA-N 2 2 330.863 3.014 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000453167333 310261933 /nfs/dbraw/zinc/26/19/33/310261933.db2.gz AYIVOSMPOMLOCI-KRWDZBQOSA-N 2 2 330.863 3.014 20 0 EGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453236210 310265821 /nfs/dbraw/zinc/26/58/21/310265821.db2.gz MTSCKSMXIXWBEE-INIZCTEOSA-N 2 2 341.846 3.426 20 0 EGADLP c1cc(C[NH+]2CCC([N@@H+]3CCC[C@]4(CCSC4)C3)CC2)ccn1 ZINC000453337416 310271664 /nfs/dbraw/zinc/27/16/64/310271664.db2.gz AMKVBBQMCNXWFB-IBGZPJMESA-N 2 2 331.529 3.265 20 0 EGADLP c1cc(C[NH+]2CCC([N@H+]3CCC[C@]4(CCSC4)C3)CC2)ccn1 ZINC000453337416 310271665 /nfs/dbraw/zinc/27/16/65/310271665.db2.gz AMKVBBQMCNXWFB-IBGZPJMESA-N 2 2 331.529 3.265 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000454373946 310306080 /nfs/dbraw/zinc/30/60/80/310306080.db2.gz RNMDEMZPAVLBHS-OAGGEKHMSA-N 2 2 349.523 3.020 20 0 EGADLP CC(C)[NH+](CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C(C)C ZINC000454647300 310321810 /nfs/dbraw/zinc/32/18/10/310321810.db2.gz JOBJRNRKOYDNAV-MRXNPFEDSA-N 2 2 349.523 3.022 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccco1 ZINC000458766175 310519782 /nfs/dbraw/zinc/51/97/82/310519782.db2.gz LETLJIHHWAWUMR-YOEHRIQHSA-N 2 2 344.459 3.220 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1SC ZINC000459377031 310548252 /nfs/dbraw/zinc/54/82/52/310548252.db2.gz WTENINLGKYEOLI-MANSERQUSA-N 2 2 334.529 3.322 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000459441001 310553071 /nfs/dbraw/zinc/55/30/71/310553071.db2.gz KERWSHDVXKKROR-ROUUACIJSA-N 2 2 340.870 3.255 20 0 EGADLP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000459660554 310566946 /nfs/dbraw/zinc/56/69/46/310566946.db2.gz ULSBSALFSCCBIO-AZUAARDMSA-N 2 2 325.431 3.331 20 0 EGADLP CCOC(=O)[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000483514027 310951592 /nfs/dbraw/zinc/95/15/92/310951592.db2.gz HDFCCNHVRLQHRX-QGZVFWFLSA-N 2 2 338.879 3.218 20 0 EGADLP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)CS1 ZINC000488419780 311064869 /nfs/dbraw/zinc/06/48/69/311064869.db2.gz HYTFHNKICMYKFM-JKSUJKDBSA-N 2 2 328.591 3.468 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(Cl)c1OC ZINC000494407715 311476182 /nfs/dbraw/zinc/47/61/82/311476182.db2.gz ARFZFNVHZFZBFC-CYBMUJFWSA-N 2 2 335.835 3.048 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000495083141 311536474 /nfs/dbraw/zinc/53/64/74/311536474.db2.gz CFMFPCRARXCURO-UHFFFAOYSA-N 2 2 344.459 3.265 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000496807743 311767928 /nfs/dbraw/zinc/76/79/28/311767928.db2.gz FFXPPJIJFCYIBQ-GOSISDBHSA-N 2 2 327.428 3.033 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000497823186 311869708 /nfs/dbraw/zinc/86/97/08/311869708.db2.gz ZXLODDGEWVLGAR-ZWKOTPCHSA-N 2 2 332.488 3.309 20 0 EGADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480761 312050224 /nfs/dbraw/zinc/05/02/24/312050224.db2.gz MSLIAYAIHGFQTR-FUFFSDJGSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480761 312050225 /nfs/dbraw/zinc/05/02/25/312050225.db2.gz MSLIAYAIHGFQTR-FUFFSDJGSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480761 312050227 /nfs/dbraw/zinc/05/02/27/312050227.db2.gz MSLIAYAIHGFQTR-FUFFSDJGSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506480761 312050228 /nfs/dbraw/zinc/05/02/28/312050228.db2.gz MSLIAYAIHGFQTR-FUFFSDJGSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H]1CCC[C@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000507955256 312085792 /nfs/dbraw/zinc/08/57/92/312085792.db2.gz ZUFXAVTZLFOPQK-IRXDYDNUSA-N 2 2 330.520 3.272 20 0 EGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000510737059 312147394 /nfs/dbraw/zinc/14/73/94/312147394.db2.gz RTAZRABTNYSOBR-CXAGYDPISA-N 2 2 328.472 3.313 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000512307599 312182814 /nfs/dbraw/zinc/18/28/14/312182814.db2.gz BAZXIHJNKNHNPA-YSIASYRMSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000512307599 312182817 /nfs/dbraw/zinc/18/28/17/312182817.db2.gz BAZXIHJNKNHNPA-YSIASYRMSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000515301112 312275179 /nfs/dbraw/zinc/27/51/79/312275179.db2.gz RRZYLPYETXKBSJ-IRXDYDNUSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000515301112 312275181 /nfs/dbraw/zinc/27/51/81/312275181.db2.gz RRZYLPYETXKBSJ-IRXDYDNUSA-N 2 2 337.467 3.351 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000515364947 312278895 /nfs/dbraw/zinc/27/88/95/312278895.db2.gz ZLZMFJCBGPHCPY-UYAOXDASSA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000515364947 312278897 /nfs/dbraw/zinc/27/88/97/312278897.db2.gz ZLZMFJCBGPHCPY-UYAOXDASSA-N 2 2 334.479 3.380 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)cc2[nH+]1 ZINC000515430619 312282506 /nfs/dbraw/zinc/28/25/06/312282506.db2.gz XMWWGLMSFLUFOM-OAHLLOKOSA-N 2 2 344.484 3.027 20 0 EGADLP Cc1[nH]c2cc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)ccc2[nH+]1 ZINC000515430619 312282508 /nfs/dbraw/zinc/28/25/08/312282508.db2.gz XMWWGLMSFLUFOM-OAHLLOKOSA-N 2 2 344.484 3.027 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(C3CC3)C3CC3)c2cc1C ZINC000516644684 312335017 /nfs/dbraw/zinc/33/50/17/312335017.db2.gz CHGWVQVAICJIEA-QGZVFWFLSA-N 2 2 327.472 3.040 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000520219093 312496662 /nfs/dbraw/zinc/49/66/62/312496662.db2.gz QXZJQIDWTMMIFL-OAQYLSRUSA-N 2 2 349.478 3.057 20 0 EGADLP Cc1ccc2sc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)nc2c1 ZINC000528425208 313091556 /nfs/dbraw/zinc/09/15/56/313091556.db2.gz OSNAJVYCJQLINX-DJIMGWMZSA-N 2 2 345.512 3.288 20 0 EGADLP Cc1ccc2sc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)nc2c1 ZINC000528425208 313091559 /nfs/dbraw/zinc/09/15/59/313091559.db2.gz OSNAJVYCJQLINX-DJIMGWMZSA-N 2 2 345.512 3.288 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000529663918 313380654 /nfs/dbraw/zinc/38/06/54/313380654.db2.gz NCYQKNWLCULHHQ-IHWYPQMZSA-N 2 2 336.426 3.165 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312353 314040022 /nfs/dbraw/zinc/04/00/22/314040022.db2.gz FKBJKTCNWDRJMY-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312353 314040026 /nfs/dbraw/zinc/04/00/26/314040026.db2.gz FKBJKTCNWDRJMY-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536370305 314109691 /nfs/dbraw/zinc/10/96/91/314109691.db2.gz NJPZSOUDWCJQAM-UHFFFAOYSA-N 2 2 333.439 3.344 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000536570261 314125672 /nfs/dbraw/zinc/12/56/72/314125672.db2.gz CWVINSSUESWSQY-UHFFFAOYSA-N 2 2 325.456 3.403 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832056 314148621 /nfs/dbraw/zinc/14/86/21/314148621.db2.gz IKLOCNHHAUGDNG-UZLBHIALSA-N 2 2 349.482 3.001 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832056 314148623 /nfs/dbraw/zinc/14/86/23/314148623.db2.gz IKLOCNHHAUGDNG-UZLBHIALSA-N 2 2 349.482 3.001 20 0 EGADLP COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537984133 314221953 /nfs/dbraw/zinc/22/19/53/314221953.db2.gz JGISHPPUPBNIPU-KXBFYZLASA-N 2 2 337.423 3.265 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)c(C)n2n1 ZINC000540085096 314362460 /nfs/dbraw/zinc/36/24/60/314362460.db2.gz JBJGDFSGNIWQRX-HNNXBMFYSA-N 2 2 346.438 3.383 20 0 EGADLP CC[NH+](CC)CCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000541878963 314500529 /nfs/dbraw/zinc/50/05/29/314500529.db2.gz WZHCLVRAZGKSNG-MRXNPFEDSA-N 2 2 347.507 3.232 20 0 EGADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000542508621 314551951 /nfs/dbraw/zinc/55/19/51/314551951.db2.gz LAZJXEVQTYQJQS-QGZVFWFLSA-N 2 2 337.427 3.216 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1sccc1Br ZINC000548307507 314992239 /nfs/dbraw/zinc/99/22/39/314992239.db2.gz QPVPJCFPASYHKU-UWVGGRQHSA-N 2 2 326.263 3.373 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000548635170 315028890 /nfs/dbraw/zinc/02/88/90/315028890.db2.gz ZIPVHTTYQXIOAH-UKRRQHHQSA-N 2 2 346.862 3.167 20 0 EGADLP O=C(NCC[NH+]1CCCCC1)c1ccccc1Oc1cc[nH+]cc1 ZINC000549097291 315075414 /nfs/dbraw/zinc/07/54/14/315075414.db2.gz NOJYLPKKOFMTLL-UHFFFAOYSA-N 2 2 325.412 3.090 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000550393198 315126391 /nfs/dbraw/zinc/12/63/91/315126391.db2.gz UBHMQNCIVLVJTA-OAHLLOKOSA-N 2 2 337.427 3.270 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000550393198 315126394 /nfs/dbraw/zinc/12/63/94/315126394.db2.gz UBHMQNCIVLVJTA-OAHLLOKOSA-N 2 2 337.427 3.270 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)c1 ZINC000550892903 315137021 /nfs/dbraw/zinc/13/70/21/315137021.db2.gz VGGOQNNKNVUGDU-FPOVZHCZSA-N 2 2 345.531 3.054 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000551274324 315148060 /nfs/dbraw/zinc/14/80/60/315148060.db2.gz NXOKATRKCXHNAH-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000551274324 315148061 /nfs/dbraw/zinc/14/80/61/315148061.db2.gz NXOKATRKCXHNAH-GHTZIAJQSA-N 2 2 338.495 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699884 315163925 /nfs/dbraw/zinc/16/39/25/315163925.db2.gz NTDXDXKFYNUPSN-SCTDSRPQSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699884 315163928 /nfs/dbraw/zinc/16/39/28/315163928.db2.gz NTDXDXKFYNUPSN-SCTDSRPQSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699884 315163931 /nfs/dbraw/zinc/16/39/31/315163931.db2.gz NTDXDXKFYNUPSN-SCTDSRPQSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699884 315163933 /nfs/dbraw/zinc/16/39/33/315163933.db2.gz NTDXDXKFYNUPSN-SCTDSRPQSA-N 2 2 334.529 3.103 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098651 315197726 /nfs/dbraw/zinc/19/77/26/315197726.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000552098651 315197728 /nfs/dbraw/zinc/19/77/28/315197728.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000552098651 315197731 /nfs/dbraw/zinc/19/77/31/315197731.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552098651 315197733 /nfs/dbraw/zinc/19/77/33/315197733.db2.gz KQNYLTFASRUXID-JBACZVJFSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)c1 ZINC000554349045 315312144 /nfs/dbraw/zinc/31/21/44/315312144.db2.gz GUENJUBRWPHBJV-LEWJYISDSA-N 2 2 327.516 3.285 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)sc2c1 ZINC000554886449 315354572 /nfs/dbraw/zinc/35/45/72/315354572.db2.gz KUZFECNSXKCKRW-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)sc2c1 ZINC000554886449 315354575 /nfs/dbraw/zinc/35/45/75/315354575.db2.gz KUZFECNSXKCKRW-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)sc2c1 ZINC000554886449 315354579 /nfs/dbraw/zinc/35/45/79/315354579.db2.gz KUZFECNSXKCKRW-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)sc2c1 ZINC000554886449 315354581 /nfs/dbraw/zinc/35/45/81/315354581.db2.gz KUZFECNSXKCKRW-XJKSGUPXSA-N 2 2 331.485 3.221 20 0 EGADLP C[C@@]1(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[NH2+]C1 ZINC000563453320 316024441 /nfs/dbraw/zinc/02/44/41/316024441.db2.gz AFBURPDMLLHEFE-LJQANCHMSA-N 2 2 340.427 3.385 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N(C)CCC[NH3+])c1 ZINC000563467532 316025900 /nfs/dbraw/zinc/02/59/00/316025900.db2.gz MDQPKIKECHLIAY-UHFFFAOYSA-N 2 2 329.448 3.163 20 0 EGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000563880530 316084745 /nfs/dbraw/zinc/08/47/45/316084745.db2.gz RGXXANGBMPWAJS-IFXJQAMLSA-N 2 2 341.430 3.166 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1F ZINC000563891403 316087344 /nfs/dbraw/zinc/08/73/44/316087344.db2.gz DTSIVOSGJMPQAI-FQEVSTJZSA-N 2 2 344.405 3.184 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1F ZINC000563891403 316087347 /nfs/dbraw/zinc/08/73/47/316087347.db2.gz DTSIVOSGJMPQAI-FQEVSTJZSA-N 2 2 344.405 3.184 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144184 316117419 /nfs/dbraw/zinc/11/74/19/316117419.db2.gz LJHSWMHVLCFXHW-OXQOHEQNSA-N 2 2 341.499 3.492 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144184 316117422 /nfs/dbraw/zinc/11/74/22/316117422.db2.gz LJHSWMHVLCFXHW-OXQOHEQNSA-N 2 2 341.499 3.492 20 0 EGADLP COC(=O)CC[N@H+](CCc1cc[nH+]cc1C)Cc1cccc(F)c1F ZINC000564205432 316123602 /nfs/dbraw/zinc/12/36/02/316123602.db2.gz OMLFYXRPQVMBOU-UHFFFAOYSA-N 2 2 348.393 3.276 20 0 EGADLP COC(=O)CC[N@@H+](CCc1cc[nH+]cc1C)Cc1cccc(F)c1F ZINC000564205432 316123605 /nfs/dbraw/zinc/12/36/05/316123605.db2.gz OMLFYXRPQVMBOU-UHFFFAOYSA-N 2 2 348.393 3.276 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000564377312 316144336 /nfs/dbraw/zinc/14/43/36/316144336.db2.gz FZQNNMVMKDFAAH-SFHVURJKSA-N 2 2 349.438 3.120 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000564377312 316144340 /nfs/dbraw/zinc/14/43/40/316144340.db2.gz FZQNNMVMKDFAAH-SFHVURJKSA-N 2 2 349.438 3.120 20 0 EGADLP CC(C)c1[nH+]c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c2ccccn21 ZINC000565080975 316261973 /nfs/dbraw/zinc/26/19/73/316261973.db2.gz IBGDZTPXQYEUSD-DLBZAZTESA-N 2 2 331.485 3.164 20 0 EGADLP CC(C)c1[nH+]c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c2ccccn21 ZINC000565080975 316261976 /nfs/dbraw/zinc/26/19/76/316261976.db2.gz IBGDZTPXQYEUSD-DLBZAZTESA-N 2 2 331.485 3.164 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158416 316276470 /nfs/dbraw/zinc/27/64/70/316276470.db2.gz UFBOFWNPCKLNQE-IAQYHMDHSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158416 316276472 /nfs/dbraw/zinc/27/64/72/316276472.db2.gz UFBOFWNPCKLNQE-IAQYHMDHSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000565877376 316382576 /nfs/dbraw/zinc/38/25/76/316382576.db2.gz QNIKJRYXIQPTBT-ZBFHGGJFSA-N 2 2 333.524 3.235 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000570155904 317014699 /nfs/dbraw/zinc/01/46/99/317014699.db2.gz TYKSFHVGKDHEBU-INIZCTEOSA-N 2 2 338.373 3.145 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(C)c(F)c3)c2cc1C ZINC000570178906 317019792 /nfs/dbraw/zinc/01/97/92/317019792.db2.gz RUPCAWNCOGIZSV-KRWDZBQOSA-N 2 2 341.430 3.251 20 0 EGADLP CC(C)c1nc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000570232932 317025861 /nfs/dbraw/zinc/02/58/61/317025861.db2.gz GWTAYYDFFXIQBJ-JKSUJKDBSA-N 2 2 346.519 3.197 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889421 317120823 /nfs/dbraw/zinc/12/08/23/317120823.db2.gz XMXBDODHYFRWCP-DYVFJYSZSA-N 2 2 343.298 3.489 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889421 317120826 /nfs/dbraw/zinc/12/08/26/317120826.db2.gz XMXBDODHYFRWCP-DYVFJYSZSA-N 2 2 343.298 3.489 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])N1CCCCC1 ZINC000570918500 317126285 /nfs/dbraw/zinc/12/62/85/317126285.db2.gz RWNALQBVYQTBFL-UFYCRDLUSA-N 2 2 345.531 3.472 20 0 EGADLP COc1cc(F)c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1OC ZINC000571052224 317144743 /nfs/dbraw/zinc/14/47/43/317144743.db2.gz QJGGRODINNOCHA-UHFFFAOYSA-N 2 2 346.446 3.455 20 0 EGADLP COc1cc(F)c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000571052224 317144747 /nfs/dbraw/zinc/14/47/47/317144747.db2.gz QJGGRODINNOCHA-UHFFFAOYSA-N 2 2 346.446 3.455 20 0 EGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1ncccc1O ZINC000571190855 317164584 /nfs/dbraw/zinc/16/45/84/317164584.db2.gz CKXRUZGIUWBODH-FQEVSTJZSA-N 2 2 339.483 3.350 20 0 EGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1ncccc1O ZINC000571190855 317164588 /nfs/dbraw/zinc/16/45/88/317164588.db2.gz CKXRUZGIUWBODH-FQEVSTJZSA-N 2 2 339.483 3.350 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000571230512 317169289 /nfs/dbraw/zinc/16/92/89/317169289.db2.gz ZFUBLKJCKBCUCH-PMACEKPBSA-N 2 2 328.504 3.363 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000572832896 317398427 /nfs/dbraw/zinc/39/84/27/317398427.db2.gz HWCXMJNDKIRRHM-IXDOHACOSA-N 2 2 336.357 3.473 20 0 EGADLP Cc1cc(Cl)cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000573090557 317435946 /nfs/dbraw/zinc/43/59/46/317435946.db2.gz MBFIACCLMJOADV-GOSISDBHSA-N 2 2 344.890 3.218 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000573910996 317541382 /nfs/dbraw/zinc/54/13/82/317541382.db2.gz XRNSJJWCTSRQOS-QXOCSCLMSA-N 2 2 332.488 3.378 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261566550 455909258 /nfs/dbraw/zinc/90/92/58/455909258.db2.gz IGZDINTZDMPBLC-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261566550 455909263 /nfs/dbraw/zinc/90/92/63/455909263.db2.gz IGZDINTZDMPBLC-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000275763375 456307298 /nfs/dbraw/zinc/30/72/98/456307298.db2.gz YAIGBZTXWTXKGU-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000275763375 456307304 /nfs/dbraw/zinc/30/73/04/456307304.db2.gz YAIGBZTXWTXKGU-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP Brc1ccc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)nc1 ZINC000340285089 456363037 /nfs/dbraw/zinc/36/30/37/456363037.db2.gz MTZCWMDUIXGFCD-OAHLLOKOSA-N 2 2 335.249 3.268 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)CCCC[NH+](C)C)ccc2n1C1CC1 ZINC000577709858 324851717 /nfs/dbraw/zinc/85/17/17/324851717.db2.gz NQYVXASQFMVTAT-UHFFFAOYSA-N 2 2 342.487 3.282 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000578376299 324960639 /nfs/dbraw/zinc/96/06/39/324960639.db2.gz XMRDHWSVVOZCIT-UHFFFAOYSA-N 2 2 333.520 3.092 20 0 EGADLP CC(C)Oc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000580091314 325202729 /nfs/dbraw/zinc/20/27/29/325202729.db2.gz XKSMEHQOVRGHHV-UHFFFAOYSA-N 2 2 334.851 3.173 20 0 EGADLP Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000580760451 325292577 /nfs/dbraw/zinc/29/25/77/325292577.db2.gz PQWNYCMHOYMRAR-UHFFFAOYSA-N 2 2 336.483 3.329 20 0 EGADLP Cc1ncc2c(n1)CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000580760451 325292580 /nfs/dbraw/zinc/29/25/80/325292580.db2.gz PQWNYCMHOYMRAR-UHFFFAOYSA-N 2 2 336.483 3.329 20 0 EGADLP Cc1ccc([C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000581195745 325340565 /nfs/dbraw/zinc/34/05/65/325340565.db2.gz UJEKIALUHQYTSR-HKUYNNGSSA-N 2 2 340.471 3.096 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382986 /nfs/dbraw/zinc/38/29/86/325382986.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382988 /nfs/dbraw/zinc/38/29/88/325382988.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382990 /nfs/dbraw/zinc/38/29/90/325382990.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000581696549 325382993 /nfs/dbraw/zinc/38/29/93/325382993.db2.gz PXIMPWUNAQFMQT-ZIBCJSCZSA-N 3 2 329.532 3.215 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797323 325390680 /nfs/dbraw/zinc/39/06/80/325390680.db2.gz KDPBUISGNXTFGO-SJLPKXTDSA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000581797323 325390682 /nfs/dbraw/zinc/39/06/82/325390682.db2.gz KDPBUISGNXTFGO-SJLPKXTDSA-N 2 2 344.503 3.151 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165677 457104162 /nfs/dbraw/zinc/10/41/62/457104162.db2.gz HIMOWNIZEYFZCJ-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165677 457104167 /nfs/dbraw/zinc/10/41/67/457104167.db2.gz HIMOWNIZEYFZCJ-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165677 457104171 /nfs/dbraw/zinc/10/41/71/457104171.db2.gz HIMOWNIZEYFZCJ-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653902 455219540 /nfs/dbraw/zinc/21/95/40/455219540.db2.gz LEBSHSNODHGPLD-GFCCVEGCSA-N 2 2 349.360 3.475 20 0 EGADLP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000180695849 455229690 /nfs/dbraw/zinc/22/96/90/455229690.db2.gz NOYUNUBOSUCAOD-HOCLYGCPSA-N 2 2 327.453 3.484 20 0 EGADLP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000180695849 455229693 /nfs/dbraw/zinc/22/96/93/455229693.db2.gz NOYUNUBOSUCAOD-HOCLYGCPSA-N 2 2 327.453 3.484 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000430944164 458509034 /nfs/dbraw/zinc/50/90/34/458509034.db2.gz SDEZUFIKIPDJEG-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1[NH3+] ZINC000430944164 458509037 /nfs/dbraw/zinc/50/90/37/458509037.db2.gz SDEZUFIKIPDJEG-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008558 459176981 /nfs/dbraw/zinc/17/69/81/459176981.db2.gz AVDNXNJYUNKVNR-UKRRQHHQSA-N 2 2 328.859 3.487 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008558 459176986 /nfs/dbraw/zinc/17/69/86/459176986.db2.gz AVDNXNJYUNKVNR-UKRRQHHQSA-N 2 2 328.859 3.487 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000183251281 455261567 /nfs/dbraw/zinc/26/15/67/455261567.db2.gz VRWHOHNTIWGATG-LJQANCHMSA-N 2 2 342.462 3.265 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000631865525 460583042 /nfs/dbraw/zinc/58/30/42/460583042.db2.gz LFDIBKPNHZWLEL-UHFFFAOYSA-N 2 2 326.440 3.025 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)co2)cc1F ZINC000631889672 460589603 /nfs/dbraw/zinc/58/96/03/460589603.db2.gz LEWWHHWWBFZOJT-DYVFJYSZSA-N 2 2 333.382 3.194 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)co2)cc1F ZINC000631889672 460589609 /nfs/dbraw/zinc/58/96/09/460589609.db2.gz LEWWHHWWBFZOJT-DYVFJYSZSA-N 2 2 333.382 3.194 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000245645652 455347209 /nfs/dbraw/zinc/34/72/09/455347209.db2.gz CBFYPNZPENFERZ-FPAYPSAMSA-N 2 2 328.456 3.202 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000245645652 455347210 /nfs/dbraw/zinc/34/72/10/455347210.db2.gz CBFYPNZPENFERZ-FPAYPSAMSA-N 2 2 328.456 3.202 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245645668 455347304 /nfs/dbraw/zinc/34/73/04/455347304.db2.gz CBFYPNZPENFERZ-NBMJBFSESA-N 2 2 328.456 3.202 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000245645668 455347305 /nfs/dbraw/zinc/34/73/05/455347305.db2.gz CBFYPNZPENFERZ-NBMJBFSESA-N 2 2 328.456 3.202 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245687491 455355827 /nfs/dbraw/zinc/35/58/27/455355827.db2.gz IVFXWWFZVNHLHD-WERVVEIQSA-N 2 2 349.563 3.218 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245687491 455355830 /nfs/dbraw/zinc/35/58/30/455355830.db2.gz IVFXWWFZVNHLHD-WERVVEIQSA-N 2 2 349.563 3.218 20 0 EGADLP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616751333 460612698 /nfs/dbraw/zinc/61/26/98/460612698.db2.gz URYNJBQMWITYEW-KRWDZBQOSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616751333 460612704 /nfs/dbraw/zinc/61/27/04/460612704.db2.gz URYNJBQMWITYEW-KRWDZBQOSA-N 2 2 327.428 3.098 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(OC)c1 ZINC000030651650 453837385 /nfs/dbraw/zinc/83/73/85/453837385.db2.gz DUZNGRITVGLOST-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000030903899 453841800 /nfs/dbraw/zinc/84/18/00/453841800.db2.gz XAZIMBHLPYODIH-QFIPXVFZSA-N 2 2 338.495 3.121 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1C ZINC000030903899 453841801 /nfs/dbraw/zinc/84/18/01/453841801.db2.gz XAZIMBHLPYODIH-QFIPXVFZSA-N 2 2 338.495 3.121 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000052685316 453841859 /nfs/dbraw/zinc/84/18/59/453841859.db2.gz AJFHSBDXYQXXNF-UHFFFAOYSA-N 2 2 328.435 3.370 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000184383057 455375982 /nfs/dbraw/zinc/37/59/82/455375982.db2.gz NJUUYIMUXDJFBO-GOSISDBHSA-N 2 2 331.504 3.323 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634314 453899411 /nfs/dbraw/zinc/89/94/11/453899411.db2.gz VZDWXYLSDKBURL-FXAWDEMLSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634314 453899413 /nfs/dbraw/zinc/89/94/13/453899413.db2.gz VZDWXYLSDKBURL-FXAWDEMLSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634314 453899415 /nfs/dbraw/zinc/89/94/15/453899415.db2.gz VZDWXYLSDKBURL-FXAWDEMLSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634314 453899417 /nfs/dbraw/zinc/89/94/17/453899417.db2.gz VZDWXYLSDKBURL-FXAWDEMLSA-N 2 2 347.547 3.045 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000075675310 453916632 /nfs/dbraw/zinc/91/66/32/453916632.db2.gz HYVLBKBXLCXAGA-OAQYLSRUSA-N 2 2 340.515 3.209 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000075675310 453916636 /nfs/dbraw/zinc/91/66/36/453916636.db2.gz HYVLBKBXLCXAGA-OAQYLSRUSA-N 2 2 340.515 3.209 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000076001392 453947721 /nfs/dbraw/zinc/94/77/21/453947721.db2.gz BGHAOEYTCSVABR-HOTGVXAUSA-N 2 2 328.460 3.461 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000076001392 453947724 /nfs/dbraw/zinc/94/77/24/453947724.db2.gz BGHAOEYTCSVABR-HOTGVXAUSA-N 2 2 328.460 3.461 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000076000862 453948072 /nfs/dbraw/zinc/94/80/72/453948072.db2.gz AVOCRFNHDAXAJB-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000076000862 453948073 /nfs/dbraw/zinc/94/80/73/453948073.db2.gz AVOCRFNHDAXAJB-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP C[N@@H+](Cc1cn2ccsc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109909 453965460 /nfs/dbraw/zinc/96/54/60/453965460.db2.gz ZQUWORKISHQVIR-KRWDZBQOSA-N 2 2 340.496 3.350 20 0 EGADLP C[N@H+](Cc1cn2ccsc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109909 453965464 /nfs/dbraw/zinc/96/54/64/453965464.db2.gz ZQUWORKISHQVIR-KRWDZBQOSA-N 2 2 340.496 3.350 20 0 EGADLP C[NH+](Cc1cn2ccsc2n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109909 453965466 /nfs/dbraw/zinc/96/54/66/453965466.db2.gz ZQUWORKISHQVIR-KRWDZBQOSA-N 2 2 340.496 3.350 20 0 EGADLP C[NH+](Cc1cn2ccsc2n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109909 453965470 /nfs/dbraw/zinc/96/54/70/453965470.db2.gz ZQUWORKISHQVIR-KRWDZBQOSA-N 2 2 340.496 3.350 20 0 EGADLP c1cc2[nH+]ccc(NCC3([NH+]4CCSCC4)CCCC3)c2cn1 ZINC000085656775 454036312 /nfs/dbraw/zinc/03/63/12/454036312.db2.gz GRTIDAUCVICGQC-UHFFFAOYSA-N 2 2 328.485 3.403 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000044530250 454105388 /nfs/dbraw/zinc/10/53/88/454105388.db2.gz BLAMITRRVDPFAY-NSHDSACASA-N 2 2 347.684 3.152 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000044530250 454105390 /nfs/dbraw/zinc/10/53/90/454105390.db2.gz BLAMITRRVDPFAY-NSHDSACASA-N 2 2 347.684 3.152 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000190901705 455401631 /nfs/dbraw/zinc/40/16/31/455401631.db2.gz USHJSENVIUPTPR-IBGZPJMESA-N 2 2 326.488 3.239 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000057593679 454137039 /nfs/dbraw/zinc/13/70/39/454137039.db2.gz RTURUWBDBLVFAI-GOSISDBHSA-N 2 2 335.407 3.144 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H]1COc2ccccc2O1 ZINC000057593679 454137042 /nfs/dbraw/zinc/13/70/42/454137042.db2.gz RTURUWBDBLVFAI-GOSISDBHSA-N 2 2 335.407 3.144 20 0 EGADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803486 454145760 /nfs/dbraw/zinc/14/57/60/454145760.db2.gz CLPHFSHVJAGWBL-LJQANCHMSA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069803486 454145764 /nfs/dbraw/zinc/14/57/64/454145764.db2.gz CLPHFSHVJAGWBL-LJQANCHMSA-N 2 2 332.488 3.018 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000057844262 454151910 /nfs/dbraw/zinc/15/19/10/454151910.db2.gz CQOLXSMXUJTVJP-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000057844262 454151914 /nfs/dbraw/zinc/15/19/14/454151914.db2.gz CQOLXSMXUJTVJP-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069982794 454162837 /nfs/dbraw/zinc/16/28/37/454162837.db2.gz HRCGXNJYGDKBLO-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069982794 454162839 /nfs/dbraw/zinc/16/28/39/454162839.db2.gz HRCGXNJYGDKBLO-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000069982794 454162840 /nfs/dbraw/zinc/16/28/40/454162840.db2.gz HRCGXNJYGDKBLO-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000069982794 454162843 /nfs/dbraw/zinc/16/28/43/454162843.db2.gz HRCGXNJYGDKBLO-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000130889565 454224361 /nfs/dbraw/zinc/22/43/61/454224361.db2.gz RUTHDPMLNNSEOI-HNNXBMFYSA-N 2 2 326.444 3.288 20 0 EGADLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc[nH+]1 ZINC000119883693 454232298 /nfs/dbraw/zinc/23/22/98/454232298.db2.gz HAHJNSWCJHUPSA-UHFFFAOYSA-N 2 2 348.397 3.264 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000095980630 454247856 /nfs/dbraw/zinc/24/78/56/454247856.db2.gz GPRHIELMKKSPHD-JSGCOSHPSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000095980630 454247859 /nfs/dbraw/zinc/24/78/59/454247859.db2.gz GPRHIELMKKSPHD-JSGCOSHPSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@@]1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCC[NH2+]C1 ZINC000120072470 454255186 /nfs/dbraw/zinc/25/51/86/454255186.db2.gz AJZNDPGQTVECCB-HXUWFJFHSA-N 2 2 338.455 3.215 20 0 EGADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000605921619 460630718 /nfs/dbraw/zinc/63/07/18/460630718.db2.gz ZYPFLTVVKMAEBL-KRWDZBQOSA-N 2 2 341.459 3.081 20 0 EGADLP CC(C)c1cc(NCCCC[NH+]2CCN(C)CC2)nc(C(C)C)[nH+]1 ZINC000090070845 454272676 /nfs/dbraw/zinc/27/26/76/454272676.db2.gz DVYIWMGKMPWSHD-UHFFFAOYSA-N 2 2 333.524 3.163 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1OC ZINC000090462121 454309427 /nfs/dbraw/zinc/30/94/27/454309427.db2.gz CDEYTIDAYOLOHD-MOPGFXCFSA-N 2 2 331.504 3.229 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000132123689 454314933 /nfs/dbraw/zinc/31/49/33/454314933.db2.gz FFWZCEHIFCEWRR-UHFFFAOYSA-N 3 2 337.939 3.482 20 0 EGADLP COc1cccc2c(N3CC[NH+](Cc4ccccn4)CC3)cc(C)[nH+]c12 ZINC000120640205 454328943 /nfs/dbraw/zinc/32/89/43/454328943.db2.gz PFDIVPMVDCWXLT-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936821 454351861 /nfs/dbraw/zinc/35/18/61/454351861.db2.gz LWXWTDGEZPWVPW-VGOVLVCLSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936821 454351867 /nfs/dbraw/zinc/35/18/67/454351867.db2.gz LWXWTDGEZPWVPW-VGOVLVCLSA-N 2 2 326.843 3.239 20 0 EGADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000072965765 454372813 /nfs/dbraw/zinc/37/28/13/454372813.db2.gz JMMZKFLRVUIGCE-IEBWSBKVSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000072965765 454372816 /nfs/dbraw/zinc/37/28/16/454372816.db2.gz JMMZKFLRVUIGCE-IEBWSBKVSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000072965765 454372820 /nfs/dbraw/zinc/37/28/20/454372820.db2.gz JMMZKFLRVUIGCE-IEBWSBKVSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000072965765 454372824 /nfs/dbraw/zinc/37/28/24/454372824.db2.gz JMMZKFLRVUIGCE-IEBWSBKVSA-N 2 2 343.515 3.133 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975931 460637963 /nfs/dbraw/zinc/63/79/63/460637963.db2.gz KAKNDXNRTLNBBM-KKSFZXQISA-N 2 2 332.451 3.240 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2nccnc2c1 ZINC000634975931 460637969 /nfs/dbraw/zinc/63/79/69/460637969.db2.gz KAKNDXNRTLNBBM-KKSFZXQISA-N 2 2 332.451 3.240 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960552 454496095 /nfs/dbraw/zinc/49/60/95/454496095.db2.gz LQDLNOQNUTYUAH-KDOFPFPSSA-N 2 2 339.418 3.495 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960552 454496098 /nfs/dbraw/zinc/49/60/98/454496098.db2.gz LQDLNOQNUTYUAH-KDOFPFPSSA-N 2 2 339.418 3.495 20 0 EGADLP FC(F)CN1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000134085046 454501363 /nfs/dbraw/zinc/50/13/63/454501363.db2.gz LRHAXWDUXJFJLG-GOSISDBHSA-N 2 2 337.458 3.143 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246220761 455451656 /nfs/dbraw/zinc/45/16/56/455451656.db2.gz PZOUFTMJNTXMDE-KXBFYZLASA-N 2 2 326.488 3.121 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246220761 455451659 /nfs/dbraw/zinc/45/16/59/455451659.db2.gz PZOUFTMJNTXMDE-KXBFYZLASA-N 2 2 326.488 3.121 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000246219401 455451710 /nfs/dbraw/zinc/45/17/10/455451710.db2.gz QFJKQSBVHRJFHL-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000246219401 455451712 /nfs/dbraw/zinc/45/17/12/455451712.db2.gz QFJKQSBVHRJFHL-ROUUACIJSA-N 2 2 329.488 3.048 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)c1cnn(CC)c1)[N@@H+]1CCc2ccccc2C1 ZINC000123090375 454601263 /nfs/dbraw/zinc/60/12/63/454601263.db2.gz CGZWBXLZIMTSHY-JXFKEZNVSA-N 2 2 326.488 3.391 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)c1cnn(CC)c1)[N@H+]1CCc2ccccc2C1 ZINC000123090375 454601266 /nfs/dbraw/zinc/60/12/66/454601266.db2.gz CGZWBXLZIMTSHY-JXFKEZNVSA-N 2 2 326.488 3.391 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC1CC[NH+](C2CC2)CC1 ZINC000050929217 454602027 /nfs/dbraw/zinc/60/20/27/454602027.db2.gz PASKTBLYPAVPIZ-UHFFFAOYSA-N 2 2 339.439 3.450 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092737880 454621033 /nfs/dbraw/zinc/62/10/33/454621033.db2.gz COTIBUADMBZTTK-QGZVFWFLSA-N 2 2 342.462 3.084 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958614 454657106 /nfs/dbraw/zinc/65/71/06/454657106.db2.gz OFBLDPGQPAZXDH-KBPBESRZSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958614 454657112 /nfs/dbraw/zinc/65/71/12/454657112.db2.gz OFBLDPGQPAZXDH-KBPBESRZSA-N 2 2 330.407 3.064 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000080960475 454657412 /nfs/dbraw/zinc/65/74/12/454657412.db2.gz LBNUWQHCKKCLHZ-HOTGVXAUSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000080960475 454657416 /nfs/dbraw/zinc/65/74/16/454657416.db2.gz LBNUWQHCKKCLHZ-HOTGVXAUSA-N 2 2 348.491 3.236 20 0 EGADLP C[N@H+](CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530448 454699160 /nfs/dbraw/zinc/69/91/60/454699160.db2.gz WKXUOOAJLFVDKB-KRWDZBQOSA-N 2 2 347.507 3.301 20 0 EGADLP C[N@@H+](CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000106530448 454699164 /nfs/dbraw/zinc/69/91/64/454699164.db2.gz WKXUOOAJLFVDKB-KRWDZBQOSA-N 2 2 347.507 3.301 20 0 EGADLP COc1cc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)ccc1C ZINC000161761131 454720963 /nfs/dbraw/zinc/72/09/63/454720963.db2.gz PJPYXVGVMWPCCF-UHFFFAOYSA-N 2 2 339.483 3.195 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000136402490 454740705 /nfs/dbraw/zinc/74/07/05/454740705.db2.gz ARULGZAZSOQLBP-FQEVSTJZSA-N 3 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000136402490 454740711 /nfs/dbraw/zinc/74/07/11/454740711.db2.gz ARULGZAZSOQLBP-FQEVSTJZSA-N 3 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000136402490 454740715 /nfs/dbraw/zinc/74/07/15/454740715.db2.gz ARULGZAZSOQLBP-FQEVSTJZSA-N 3 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000136402490 454740720 /nfs/dbraw/zinc/74/07/20/454740720.db2.gz ARULGZAZSOQLBP-FQEVSTJZSA-N 3 2 326.488 3.036 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000136413573 454740898 /nfs/dbraw/zinc/74/08/98/454740898.db2.gz DWXVTGNYLGBSDE-WAVCKPEOSA-N 2 2 346.500 3.177 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1OC ZINC000093865917 454741451 /nfs/dbraw/zinc/74/14/51/454741451.db2.gz QNTQUPGZABDJGB-OAHLLOKOSA-N 2 2 348.830 3.406 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1OC ZINC000093865917 454741458 /nfs/dbraw/zinc/74/14/58/454741458.db2.gz QNTQUPGZABDJGB-OAHLLOKOSA-N 2 2 348.830 3.406 20 0 EGADLP Cn1ccc([C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000635007943 460652073 /nfs/dbraw/zinc/65/20/73/460652073.db2.gz BSNIWMRGYWWPRP-FUHWJXTLSA-N 2 2 330.451 3.016 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008651 460652281 /nfs/dbraw/zinc/65/22/81/460652281.db2.gz GDEKNSVJYRCDQC-DYESRHJHSA-N 3 2 335.495 3.257 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008651 460652287 /nfs/dbraw/zinc/65/22/87/460652287.db2.gz GDEKNSVJYRCDQC-DYESRHJHSA-N 3 2 335.495 3.257 20 0 EGADLP CN(C(=O)c1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124803051 454771216 /nfs/dbraw/zinc/77/12/16/454771216.db2.gz PWLARCFSOHQHEO-IRXDYDNUSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124803051 454771219 /nfs/dbraw/zinc/77/12/19/454771219.db2.gz PWLARCFSOHQHEO-IRXDYDNUSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124850682 454776348 /nfs/dbraw/zinc/77/63/48/454776348.db2.gz NGIAOFBTTNVZBI-ZWKOTPCHSA-N 2 2 337.552 3.218 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124850682 454776353 /nfs/dbraw/zinc/77/63/53/454776353.db2.gz NGIAOFBTTNVZBI-ZWKOTPCHSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000162977370 454814308 /nfs/dbraw/zinc/81/43/08/454814308.db2.gz LRCFIJVUDYLQQC-UZLBHIALSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000162977370 454814312 /nfs/dbraw/zinc/81/43/12/454814312.db2.gz LRCFIJVUDYLQQC-UZLBHIALSA-N 2 2 327.447 3.263 20 0 EGADLP CC[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCOC1 ZINC000163036029 454818551 /nfs/dbraw/zinc/81/85/51/454818551.db2.gz DWFHGHXADLAEMF-DLBZAZTESA-N 2 2 326.550 3.143 20 0 EGADLP Cc1ncsc1CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255986 454843206 /nfs/dbraw/zinc/84/32/06/454843206.db2.gz JCKXKNFBTXHKRO-UHFFFAOYSA-N 2 2 344.528 3.028 20 0 EGADLP Cc1ncsc1CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255986 454843210 /nfs/dbraw/zinc/84/32/10/454843210.db2.gz JCKXKNFBTXHKRO-UHFFFAOYSA-N 2 2 344.528 3.028 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccn(C)c2)CCOCC1)c1ccccc1 ZINC000125768219 454844628 /nfs/dbraw/zinc/84/46/28/454844628.db2.gz OOYDBAOUFDDIDV-KRWDZBQOSA-N 2 2 327.472 3.015 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000163587729 454856983 /nfs/dbraw/zinc/85/69/83/454856983.db2.gz YGHBFTUVMCZXCY-BEFAXECRSA-N 3 2 335.923 3.234 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000163587729 454856985 /nfs/dbraw/zinc/85/69/85/454856985.db2.gz YGHBFTUVMCZXCY-BEFAXECRSA-N 3 2 335.923 3.234 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154044151 454860278 /nfs/dbraw/zinc/86/02/78/454860278.db2.gz GKWBEKAUBCKFQN-AHRSYUTCSA-N 2 2 344.524 3.152 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154044151 454860282 /nfs/dbraw/zinc/86/02/82/454860282.db2.gz GKWBEKAUBCKFQN-AHRSYUTCSA-N 2 2 344.524 3.152 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000154256061 454878428 /nfs/dbraw/zinc/87/84/28/454878428.db2.gz VFCZSBFMDPUSNZ-JSGCOSHPSA-N 2 2 338.398 3.014 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CCC3)cc1 ZINC000154266055 454880100 /nfs/dbraw/zinc/88/01/00/454880100.db2.gz ZYIWBXJXXMQBGG-HOTGVXAUSA-N 2 2 345.512 3.008 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000177588711 454880871 /nfs/dbraw/zinc/88/08/71/454880871.db2.gz DHSYDENICPXTGB-IRXDYDNUSA-N 2 2 339.439 3.477 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777723 454890859 /nfs/dbraw/zinc/89/08/59/454890859.db2.gz VFTUFGKBESOFRM-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150777723 454890863 /nfs/dbraw/zinc/89/08/63/454890863.db2.gz VFTUFGKBESOFRM-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000165350549 454898513 /nfs/dbraw/zinc/89/85/13/454898513.db2.gz XSGNTNVLLQSEOK-IAGOWNOFSA-N 2 2 326.444 3.323 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[N@@H+]1Cc1ccccc1 ZINC000167593657 454922141 /nfs/dbraw/zinc/92/21/41/454922141.db2.gz PYBMMICBIRLVPR-ZKIDJSGLSA-N 2 2 328.500 3.443 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[N@H+]1Cc1ccccc1 ZINC000167593657 454922145 /nfs/dbraw/zinc/92/21/45/454922145.db2.gz PYBMMICBIRLVPR-ZKIDJSGLSA-N 2 2 328.500 3.443 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717218 454922726 /nfs/dbraw/zinc/92/27/26/454922726.db2.gz OHZHCMLDRHFZLG-ZWKOTPCHSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154717218 454922731 /nfs/dbraw/zinc/92/27/31/454922731.db2.gz OHZHCMLDRHFZLG-ZWKOTPCHSA-N 2 2 337.552 3.124 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000151031132 454927519 /nfs/dbraw/zinc/92/75/19/454927519.db2.gz WUTFJYADQNAJAY-INIZCTEOSA-N 2 2 326.440 3.240 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000170901359 454996927 /nfs/dbraw/zinc/99/69/27/454996927.db2.gz MWDCBPCLIWSQFA-LJQANCHMSA-N 2 2 349.438 3.289 20 0 EGADLP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179172520 455016827 /nfs/dbraw/zinc/01/68/27/455016827.db2.gz GYGAJZCNFMZBCV-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179172520 455016831 /nfs/dbraw/zinc/01/68/31/455016831.db2.gz GYGAJZCNFMZBCV-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179172520 455016836 /nfs/dbraw/zinc/01/68/36/455016836.db2.gz GYGAJZCNFMZBCV-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179172520 455016840 /nfs/dbraw/zinc/01/68/40/455016840.db2.gz GYGAJZCNFMZBCV-YLJYHZDGSA-N 2 2 342.483 3.217 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781888 455045006 /nfs/dbraw/zinc/04/50/06/455045006.db2.gz MQGGTLCUMIKFJS-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781888 455045011 /nfs/dbraw/zinc/04/50/11/455045011.db2.gz MQGGTLCUMIKFJS-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781888 455045015 /nfs/dbraw/zinc/04/50/15/455045015.db2.gz MQGGTLCUMIKFJS-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4c(F)cccc4F)n3)CC[C@@H]21 ZINC000155781888 455045018 /nfs/dbraw/zinc/04/50/18/455045018.db2.gz MQGGTLCUMIKFJS-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000128543395 455066196 /nfs/dbraw/zinc/06/61/96/455066196.db2.gz CMTQRTRPEJJADB-KBPBESRZSA-N 2 2 342.409 3.366 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156431359 455117954 /nfs/dbraw/zinc/11/79/54/455117954.db2.gz PAUUIIMZXSILJT-FUHWJXTLSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156431359 455117958 /nfs/dbraw/zinc/11/79/58/455117958.db2.gz PAUUIIMZXSILJT-FUHWJXTLSA-N 2 2 326.444 3.022 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc2[nH+]ccn21 ZINC000180049647 455122992 /nfs/dbraw/zinc/12/29/92/455122992.db2.gz YGMRLBWJVACSRH-UHFFFAOYSA-N 2 2 336.439 3.058 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc2[nH+]ccn21 ZINC000180049647 455122995 /nfs/dbraw/zinc/12/29/95/455122995.db2.gz YGMRLBWJVACSRH-UHFFFAOYSA-N 2 2 336.439 3.058 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180063557 455125678 /nfs/dbraw/zinc/12/56/78/455125678.db2.gz RHUWNKJEJYHGJM-FQEVSTJZSA-N 2 2 344.478 3.359 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156510336 455126786 /nfs/dbraw/zinc/12/67/86/455126786.db2.gz KMRLXACILZAHLK-SUMWQHHRSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156510336 455126788 /nfs/dbraw/zinc/12/67/88/455126788.db2.gz KMRLXACILZAHLK-SUMWQHHRSA-N 2 2 346.862 3.367 20 0 EGADLP CC[N@@H+](Cc1cccc2nccn21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367591 455162071 /nfs/dbraw/zinc/16/20/71/455162071.db2.gz WZMLEVDRXFDPNF-UHFFFAOYSA-N 2 2 349.482 3.468 20 0 EGADLP CC[N@H+](Cc1cccc2nccn21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367591 455162073 /nfs/dbraw/zinc/16/20/73/455162073.db2.gz WZMLEVDRXFDPNF-UHFFFAOYSA-N 2 2 349.482 3.468 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583125 455163338 /nfs/dbraw/zinc/16/33/38/455163338.db2.gz JDDWNUKUPOJCOJ-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000172583125 455163339 /nfs/dbraw/zinc/16/33/39/455163339.db2.gz JDDWNUKUPOJCOJ-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583125 455163340 /nfs/dbraw/zinc/16/33/40/455163340.db2.gz JDDWNUKUPOJCOJ-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583125 455163341 /nfs/dbraw/zinc/16/33/41/455163341.db2.gz JDDWNUKUPOJCOJ-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1CCC[NH2+]C1 ZINC000237400597 455181650 /nfs/dbraw/zinc/18/16/50/455181650.db2.gz PSRIMLPDZJNIST-HOCLYGCPSA-N 2 2 326.444 3.051 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000157306685 455182450 /nfs/dbraw/zinc/18/24/50/455182450.db2.gz XEUIMGOLNBOXNN-UFYCRDLUSA-N 2 2 347.547 3.118 20 0 EGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000157306685 455182452 /nfs/dbraw/zinc/18/24/52/455182452.db2.gz XEUIMGOLNBOXNN-UFYCRDLUSA-N 2 2 347.547 3.118 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000245583145 455335407 /nfs/dbraw/zinc/33/54/07/455335407.db2.gz IDBGOLIHWICPQM-TUNNFDKTSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000245583145 455335410 /nfs/dbraw/zinc/33/54/10/455335410.db2.gz IDBGOLIHWICPQM-TUNNFDKTSA-N 2 2 336.479 3.289 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245590600 455335840 /nfs/dbraw/zinc/33/58/40/455335840.db2.gz LBQXPOKGCNPJAG-FHLIZLRMSA-N 2 2 340.870 3.487 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245590600 455335846 /nfs/dbraw/zinc/33/58/46/455335846.db2.gz LBQXPOKGCNPJAG-FHLIZLRMSA-N 2 2 340.870 3.487 20 0 EGADLP CC1(C)[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000181460658 455337059 /nfs/dbraw/zinc/33/70/59/455337059.db2.gz HLGOMTCRWUIYSW-RLLQIKCJSA-N 2 2 339.483 3.267 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C12CCC2 ZINC000181471708 455340156 /nfs/dbraw/zinc/34/01/56/455340156.db2.gz UZJWAJHLKBDAEK-MOPGFXCFSA-N 2 2 325.456 3.369 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000158994938 455343947 /nfs/dbraw/zinc/34/39/47/455343947.db2.gz OBMUEQLUYWZULA-YLJYHZDGSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000158994938 455343952 /nfs/dbraw/zinc/34/39/52/455343952.db2.gz OBMUEQLUYWZULA-YLJYHZDGSA-N 2 2 327.472 3.442 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000246043742 455417329 /nfs/dbraw/zinc/41/73/29/455417329.db2.gz BLVKCXAUZTZLHN-JSGCOSHPSA-N 2 2 328.403 3.259 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000246043742 455417333 /nfs/dbraw/zinc/41/73/33/455417333.db2.gz BLVKCXAUZTZLHN-JSGCOSHPSA-N 2 2 328.403 3.259 20 0 EGADLP CCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000182118814 455439232 /nfs/dbraw/zinc/43/92/32/455439232.db2.gz UMAWPCBDNAMWBK-JKSUJKDBSA-N 2 2 349.544 3.002 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246274756 455463130 /nfs/dbraw/zinc/46/31/30/455463130.db2.gz AZHWCDWHTMSSOZ-LZLYRXPVSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246274756 455463132 /nfs/dbraw/zinc/46/31/32/455463132.db2.gz AZHWCDWHTMSSOZ-LZLYRXPVSA-N 2 2 347.503 3.002 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266895711 455470455 /nfs/dbraw/zinc/47/04/55/455470455.db2.gz DZJFNYOAWKFJQF-ZIAGYGMSSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266895711 455470458 /nfs/dbraw/zinc/47/04/58/455470458.db2.gz DZJFNYOAWKFJQF-ZIAGYGMSSA-N 2 2 344.484 3.338 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889593 455533670 /nfs/dbraw/zinc/53/36/70/455533670.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889593 455533673 /nfs/dbraw/zinc/53/36/73/455533673.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246889593 455533676 /nfs/dbraw/zinc/53/36/76/455533676.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246889593 455533679 /nfs/dbraw/zinc/53/36/79/455533679.db2.gz DSUNOAMJWIFKFP-ARXXEPJESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)OCC[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000267321956 455538738 /nfs/dbraw/zinc/53/87/38/455538738.db2.gz ABUVOSFYPUQCCF-UHFFFAOYSA-N 2 2 331.382 3.402 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000247038609 455549472 /nfs/dbraw/zinc/54/94/72/455549472.db2.gz LRMSVXMSXUYMIJ-MAUKXSAKSA-N 2 2 344.890 3.173 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000247038609 455549478 /nfs/dbraw/zinc/54/94/78/455549478.db2.gz LRMSVXMSXUYMIJ-MAUKXSAKSA-N 2 2 344.890 3.173 20 0 EGADLP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000247078247 455557029 /nfs/dbraw/zinc/55/70/29/455557029.db2.gz QPNYYPDJTLUAHJ-CRAIPNDOSA-N 2 2 344.528 3.143 20 0 EGADLP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000247078247 455557032 /nfs/dbraw/zinc/55/70/32/455557032.db2.gz QPNYYPDJTLUAHJ-CRAIPNDOSA-N 2 2 344.528 3.143 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000247293640 455584676 /nfs/dbraw/zinc/58/46/76/455584676.db2.gz ZHOSPGCWEGWTHL-QMTMVMCOSA-N 2 2 341.455 3.298 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000247293640 455584679 /nfs/dbraw/zinc/58/46/79/455584679.db2.gz ZHOSPGCWEGWTHL-QMTMVMCOSA-N 2 2 341.455 3.298 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000185678506 455594563 /nfs/dbraw/zinc/59/45/63/455594563.db2.gz SUUQXIRISUFLML-YWZLYKJASA-N 2 2 328.456 3.485 20 0 EGADLP Fc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356193 455596481 /nfs/dbraw/zinc/59/64/81/455596481.db2.gz XYOSIFITQKJBDZ-IBGZPJMESA-N 2 2 328.431 3.206 20 0 EGADLP Fc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356193 455596483 /nfs/dbraw/zinc/59/64/83/455596483.db2.gz XYOSIFITQKJBDZ-IBGZPJMESA-N 2 2 328.431 3.206 20 0 EGADLP COC(=O)C1CCC([NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000192440375 455616018 /nfs/dbraw/zinc/61/60/18/455616018.db2.gz CZJJSERCULUWCW-UHFFFAOYSA-N 2 2 344.499 3.145 20 0 EGADLP COC(=O)C1CCC([NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000192440375 455616024 /nfs/dbraw/zinc/61/60/24/455616024.db2.gz CZJJSERCULUWCW-UHFFFAOYSA-N 2 2 344.499 3.145 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000185760338 455616572 /nfs/dbraw/zinc/61/65/72/455616572.db2.gz TVULASGFEOQCJN-IAGOWNOFSA-N 2 2 326.488 3.385 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000185760338 455616577 /nfs/dbraw/zinc/61/65/77/455616577.db2.gz TVULASGFEOQCJN-IAGOWNOFSA-N 2 2 326.488 3.385 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000185760354 455617290 /nfs/dbraw/zinc/61/72/90/455617290.db2.gz TVULASGFEOQCJN-IRXDYDNUSA-N 2 2 326.488 3.385 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000185760354 455617295 /nfs/dbraw/zinc/61/72/95/455617295.db2.gz TVULASGFEOQCJN-IRXDYDNUSA-N 2 2 326.488 3.385 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000271410412 455626287 /nfs/dbraw/zinc/62/62/87/455626287.db2.gz XOSLOAPKTBRATK-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000271410412 455626291 /nfs/dbraw/zinc/62/62/91/455626291.db2.gz XOSLOAPKTBRATK-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000271410412 455626295 /nfs/dbraw/zinc/62/62/95/455626295.db2.gz XOSLOAPKTBRATK-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000271410412 455626299 /nfs/dbraw/zinc/62/62/99/455626299.db2.gz XOSLOAPKTBRATK-XJKSGUPXSA-N 2 2 332.879 3.143 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(SC)cc1OC ZINC000277662522 455626745 /nfs/dbraw/zinc/62/67/45/455626745.db2.gz ZWPNFNBCFPWKBZ-OAHLLOKOSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(SC)cc1OC ZINC000277662522 455626752 /nfs/dbraw/zinc/62/67/52/455626752.db2.gz ZWPNFNBCFPWKBZ-OAHLLOKOSA-N 2 2 338.517 3.342 20 0 EGADLP CCOC[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084140 455633927 /nfs/dbraw/zinc/63/39/27/455633927.db2.gz LMTASMMZAHPPJB-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084140 455633930 /nfs/dbraw/zinc/63/39/30/455633930.db2.gz LMTASMMZAHPPJB-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084140 455633932 /nfs/dbraw/zinc/63/39/32/455633932.db2.gz LMTASMMZAHPPJB-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084140 455633935 /nfs/dbraw/zinc/63/39/35/455633935.db2.gz LMTASMMZAHPPJB-NHCUHLMSSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084149 455634199 /nfs/dbraw/zinc/63/41/99/455634199.db2.gz LMTASMMZAHPPJB-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084149 455634205 /nfs/dbraw/zinc/63/42/05/455634205.db2.gz LMTASMMZAHPPJB-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084149 455634208 /nfs/dbraw/zinc/63/42/08/455634208.db2.gz LMTASMMZAHPPJB-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084149 455634211 /nfs/dbraw/zinc/63/42/11/455634211.db2.gz LMTASMMZAHPPJB-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247684350 455638079 /nfs/dbraw/zinc/63/80/79/455638079.db2.gz USUOIWJSEZLUGQ-UYAOXDASSA-N 2 2 345.531 3.087 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000247684350 455638083 /nfs/dbraw/zinc/63/80/83/455638083.db2.gz USUOIWJSEZLUGQ-UYAOXDASSA-N 2 2 345.531 3.087 20 0 EGADLP Cc1cc(NC(=O)C2CC[NH+](C)CC2)ccc1Oc1cc[nH+]cc1 ZINC000192589238 455646711 /nfs/dbraw/zinc/64/67/11/455646711.db2.gz GKQJXKUKYUZZLU-UHFFFAOYSA-N 2 2 325.412 3.463 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000271505494 455663807 /nfs/dbraw/zinc/66/38/07/455663807.db2.gz MVXDUUOETZDDDT-IPMKNSEASA-N 2 2 338.442 3.383 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000248035747 455672972 /nfs/dbraw/zinc/67/29/72/455672972.db2.gz ROLODIYZBGODOZ-OXJNMPFZSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000248035747 455672974 /nfs/dbraw/zinc/67/29/74/455672974.db2.gz ROLODIYZBGODOZ-OXJNMPFZSA-N 2 2 327.447 3.263 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248186200 455696998 /nfs/dbraw/zinc/69/69/98/455696998.db2.gz XJMSHHVCZXWZPM-OKZBNKHCSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248186200 455697001 /nfs/dbraw/zinc/69/70/01/455697001.db2.gz XJMSHHVCZXWZPM-OKZBNKHCSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248186200 455697010 /nfs/dbraw/zinc/69/70/10/455697010.db2.gz XJMSHHVCZXWZPM-OKZBNKHCSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248186200 455697012 /nfs/dbraw/zinc/69/70/12/455697012.db2.gz XJMSHHVCZXWZPM-OKZBNKHCSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268907817 455726088 /nfs/dbraw/zinc/72/60/88/455726088.db2.gz NMSINJVRXFKCEM-TXPKVOOTSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268907817 455726094 /nfs/dbraw/zinc/72/60/94/455726094.db2.gz NMSINJVRXFKCEM-TXPKVOOTSA-N 2 2 326.488 3.432 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccs1 ZINC000268949051 455740529 /nfs/dbraw/zinc/74/05/29/455740529.db2.gz BSNLAVRMEBGDIH-CGTJXYLNSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccs1 ZINC000268949051 455740532 /nfs/dbraw/zinc/74/05/32/455740532.db2.gz BSNLAVRMEBGDIH-CGTJXYLNSA-N 2 2 330.497 3.282 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249340778 455749116 /nfs/dbraw/zinc/74/91/16/455749116.db2.gz DIPFUKYNUHDGOI-UHOSZYNNSA-N 2 2 337.552 3.218 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249340778 455749122 /nfs/dbraw/zinc/74/91/22/455749122.db2.gz DIPFUKYNUHDGOI-UHOSZYNNSA-N 2 2 337.552 3.218 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000271791711 455761980 /nfs/dbraw/zinc/76/19/80/455761980.db2.gz JBDBMRGETWDMQV-WOJBJXKFSA-N 2 2 344.499 3.330 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccccc2C)CC1 ZINC000271810280 455768438 /nfs/dbraw/zinc/76/84/38/455768438.db2.gz MZSBEKIOGQZABL-UHFFFAOYSA-N 2 2 346.515 3.280 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002300 455769745 /nfs/dbraw/zinc/76/97/45/455769745.db2.gz SXLDWRWHVPBPKB-DHSIGJKJSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)oc1C ZINC000293002300 455769748 /nfs/dbraw/zinc/76/97/48/455769748.db2.gz SXLDWRWHVPBPKB-DHSIGJKJSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)oc1C ZINC000293002300 455769752 /nfs/dbraw/zinc/76/97/52/455769752.db2.gz SXLDWRWHVPBPKB-DHSIGJKJSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)oc1C ZINC000293002300 455769754 /nfs/dbraw/zinc/76/97/54/455769754.db2.gz SXLDWRWHVPBPKB-DHSIGJKJSA-N 2 2 346.471 3.384 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186456797 455772737 /nfs/dbraw/zinc/77/27/37/455772737.db2.gz KAJIJDZHRZPZIO-GWFLUQINSA-N 2 2 332.488 3.389 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250376856 455787609 /nfs/dbraw/zinc/78/76/09/455787609.db2.gz JCUOTAAKEBVLLV-KBPBESRZSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250376856 455787613 /nfs/dbraw/zinc/78/76/13/455787613.db2.gz JCUOTAAKEBVLLV-KBPBESRZSA-N 2 2 339.277 3.174 20 0 EGADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000278307585 455812475 /nfs/dbraw/zinc/81/24/75/455812475.db2.gz GZSAKIIJFZVKNQ-SFHVURJKSA-N 2 2 348.450 3.199 20 0 EGADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000278307585 455812479 /nfs/dbraw/zinc/81/24/79/455812479.db2.gz GZSAKIIJFZVKNQ-SFHVURJKSA-N 2 2 348.450 3.199 20 0 EGADLP C[N@H+](Cc1nc2ccccc2n1C(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285362974 455829786 /nfs/dbraw/zinc/82/97/86/455829786.db2.gz BRNQRQMAXCHLQU-PBWFPOADSA-N 2 2 334.414 3.488 20 0 EGADLP C[N@@H+](Cc1nc2ccccc2n1C(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285362974 455829788 /nfs/dbraw/zinc/82/97/88/455829788.db2.gz BRNQRQMAXCHLQU-PBWFPOADSA-N 2 2 334.414 3.488 20 0 EGADLP C[NH+](Cc1nc2ccccc2n1C(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285362974 455829795 /nfs/dbraw/zinc/82/97/95/455829795.db2.gz BRNQRQMAXCHLQU-PBWFPOADSA-N 2 2 334.414 3.488 20 0 EGADLP C[NH+](Cc1nc2ccccc2n1C(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285362974 455829800 /nfs/dbraw/zinc/82/98/00/455829800.db2.gz BRNQRQMAXCHLQU-PBWFPOADSA-N 2 2 334.414 3.488 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000269340298 455838674 /nfs/dbraw/zinc/83/86/74/455838674.db2.gz FYEMUEQQPRJRKK-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000269340298 455838678 /nfs/dbraw/zinc/83/86/78/455838678.db2.gz FYEMUEQQPRJRKK-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000269374261 455845221 /nfs/dbraw/zinc/84/52/21/455845221.db2.gz ZIWMLWUAEUVDDH-UHFFFAOYSA-N 2 2 344.528 3.291 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccncc1 ZINC000272188381 455871348 /nfs/dbraw/zinc/87/13/48/455871348.db2.gz GURBEUIHHQPBRH-OAHLLOKOSA-N 2 2 325.460 3.180 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCS2 ZINC000187229733 455884988 /nfs/dbraw/zinc/88/49/88/455884988.db2.gz SXWDPWDVCFFJKP-KBXCAEBGSA-N 2 2 334.529 3.398 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000270135459 455885259 /nfs/dbraw/zinc/88/52/59/455885259.db2.gz HPMJDVCSJFLENM-SFHVURJKSA-N 2 2 348.450 3.108 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000270135459 455885261 /nfs/dbraw/zinc/88/52/61/455885261.db2.gz HPMJDVCSJFLENM-SFHVURJKSA-N 2 2 348.450 3.108 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970448 455907901 /nfs/dbraw/zinc/90/79/01/455907901.db2.gz SOPHBIZYYYDMQS-DYESRHJHSA-N 2 2 340.467 3.334 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1 ZINC000194970448 455907910 /nfs/dbraw/zinc/90/79/10/455907910.db2.gz SOPHBIZYYYDMQS-DYESRHJHSA-N 2 2 340.467 3.334 20 0 EGADLP CC(C)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000194981046 455909359 /nfs/dbraw/zinc/90/93/59/455909359.db2.gz APOQGCQNDODMIW-RBUKOAKNSA-N 2 2 341.503 3.240 20 0 EGADLP CC(C)n1nccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280198330 455914657 /nfs/dbraw/zinc/91/46/57/455914657.db2.gz IJXVUIPATPVAPV-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1nccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280198330 455914660 /nfs/dbraw/zinc/91/46/60/455914660.db2.gz IJXVUIPATPVAPV-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280198330 455914663 /nfs/dbraw/zinc/91/46/63/455914663.db2.gz IJXVUIPATPVAPV-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280198330 455914667 /nfs/dbraw/zinc/91/46/67/455914667.db2.gz IJXVUIPATPVAPV-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663047 455923466 /nfs/dbraw/zinc/92/34/66/455923466.db2.gz IJUIUMJHYYZRJI-WIYYLYMNSA-N 2 2 348.450 3.497 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000261663047 455923467 /nfs/dbraw/zinc/92/34/67/455923467.db2.gz IJUIUMJHYYZRJI-WIYYLYMNSA-N 2 2 348.450 3.497 20 0 EGADLP CCCc1noc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270322197 455928131 /nfs/dbraw/zinc/92/81/31/455928131.db2.gz KIHUHUPMCXOXOT-OAHLLOKOSA-N 2 2 339.443 3.345 20 0 EGADLP CCCc1noc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270322197 455928135 /nfs/dbraw/zinc/92/81/35/455928135.db2.gz KIHUHUPMCXOXOT-OAHLLOKOSA-N 2 2 339.443 3.345 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687800 455928397 /nfs/dbraw/zinc/92/83/97/455928397.db2.gz KLUCPXADWBRYOH-SFTDATJTSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687800 455928404 /nfs/dbraw/zinc/92/84/04/455928404.db2.gz KLUCPXADWBRYOH-SFTDATJTSA-N 2 2 345.531 3.294 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000285905949 455939599 /nfs/dbraw/zinc/93/95/99/455939599.db2.gz KONHGKFDXCAXBJ-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000285905949 455939604 /nfs/dbraw/zinc/93/96/04/455939604.db2.gz KONHGKFDXCAXBJ-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000272534840 455986094 /nfs/dbraw/zinc/98/60/94/455986094.db2.gz BLTAVSDAINNISZ-SJORKVTESA-N 2 2 333.476 3.216 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2coc(C[NH3+])c2)c1 ZINC000188095957 455997083 /nfs/dbraw/zinc/99/70/83/455997083.db2.gz QIUVLYWTMISRSW-UHFFFAOYSA-N 2 2 338.411 3.359 20 0 EGADLP CC(C)(C)[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000188170859 456013477 /nfs/dbraw/zinc/01/34/77/456013477.db2.gz TVHKBSWMIPZVII-QGZVFWFLSA-N 2 2 330.451 3.491 20 0 EGADLP COc1cccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272655981 456027672 /nfs/dbraw/zinc/02/76/72/456027672.db2.gz GEPDWXHEJWWGPE-UHFFFAOYSA-N 2 2 330.394 3.244 20 0 EGADLP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968215 456095748 /nfs/dbraw/zinc/09/57/48/456095748.db2.gz KGUAJHIPGUSKQK-GBESFXJTSA-N 2 2 340.471 3.173 20 0 EGADLP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968215 456095751 /nfs/dbraw/zinc/09/57/51/456095751.db2.gz KGUAJHIPGUSKQK-GBESFXJTSA-N 2 2 340.471 3.173 20 0 EGADLP C[NH+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000297047713 456102169 /nfs/dbraw/zinc/10/21/69/456102169.db2.gz YGMBMSORKOVDRH-QZTJIDSGSA-N 2 2 347.503 3.278 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000301376221 456102620 /nfs/dbraw/zinc/10/26/20/456102620.db2.gz VXJXVAHRDGGLAO-OAHLLOKOSA-N 2 2 341.455 3.250 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000271106649 456127210 /nfs/dbraw/zinc/12/72/10/456127210.db2.gz FCHMPZGECZSQJH-DNVCBOLYSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc[nH+]1 ZINC000271106649 456127214 /nfs/dbraw/zinc/12/72/14/456127214.db2.gz FCHMPZGECZSQJH-DNVCBOLYSA-N 2 2 338.455 3.422 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cscn1 ZINC000271135071 456136102 /nfs/dbraw/zinc/13/61/02/456136102.db2.gz MURBTXCBGQSNOF-INIZCTEOSA-N 2 2 330.501 3.006 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000289886508 456168964 /nfs/dbraw/zinc/16/89/64/456168964.db2.gz SITSKFLQDUDPME-CQSZACIVSA-N 2 2 349.500 3.081 20 0 EGADLP Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301641971 456172003 /nfs/dbraw/zinc/17/20/03/456172003.db2.gz BRRNIIFOIDVMIP-CYBMUJFWSA-N 2 2 344.459 3.296 20 0 EGADLP Cc1nc(NCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301688418 456186818 /nfs/dbraw/zinc/18/68/18/456186818.db2.gz MPWKSCQWRIPAAV-UHFFFAOYSA-N 2 2 339.487 3.026 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297340860 456191376 /nfs/dbraw/zinc/19/13/76/456191376.db2.gz ONIXYIMIBRWEBL-MRXNPFEDSA-N 2 2 341.846 3.426 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000273189232 456207656 /nfs/dbraw/zinc/20/76/56/456207656.db2.gz HTFLSJHTDGWMGR-OAHLLOKOSA-N 2 2 344.459 3.067 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCCNc1cccc[nH+]1 ZINC000271292500 456208831 /nfs/dbraw/zinc/20/88/31/456208831.db2.gz SCBUSGMRHTUUMP-CABCVRRESA-N 2 2 336.480 3.165 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000273215658 456217908 /nfs/dbraw/zinc/21/79/08/456217908.db2.gz MBYKARWVMSCCGG-MRXNPFEDSA-N 2 2 346.519 3.101 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416513 456228749 /nfs/dbraw/zinc/22/87/49/456228749.db2.gz YRXBIQDYIUFZFA-OWYHZJEWSA-N 2 2 340.471 3.029 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416513 456228754 /nfs/dbraw/zinc/22/87/54/456228754.db2.gz YRXBIQDYIUFZFA-OWYHZJEWSA-N 2 2 340.471 3.029 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000237087515 456229956 /nfs/dbraw/zinc/22/99/56/456229956.db2.gz WUCUUJXWSMYESV-IBGZPJMESA-N 2 2 338.499 3.409 20 0 EGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000237087515 456229960 /nfs/dbraw/zinc/22/99/60/456229960.db2.gz WUCUUJXWSMYESV-IBGZPJMESA-N 2 2 338.499 3.409 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1)C1CC1 ZINC000290091739 456238014 /nfs/dbraw/zinc/23/80/14/456238014.db2.gz VZKPSZYEBOZOQY-OAHLLOKOSA-N 2 2 336.526 3.267 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1)C1CC1 ZINC000290091739 456238017 /nfs/dbraw/zinc/23/80/17/456238017.db2.gz VZKPSZYEBOZOQY-OAHLLOKOSA-N 2 2 336.526 3.267 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727779 456255320 /nfs/dbraw/zinc/25/53/20/456255320.db2.gz VQJBGDSUCYYFJN-AUUYWEPGSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727779 456255324 /nfs/dbraw/zinc/25/53/24/456255324.db2.gz VQJBGDSUCYYFJN-AUUYWEPGSA-N 2 2 344.434 3.321 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)s1 ZINC000352766791 456289281 /nfs/dbraw/zinc/28/92/81/456289281.db2.gz ZDGXKKSYFYRXCE-HNNXBMFYSA-N 2 2 335.448 3.347 20 0 EGADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1Cl ZINC000290320914 456290400 /nfs/dbraw/zinc/29/04/00/456290400.db2.gz OHBKDELPNYCPPS-AWEZNQCLSA-N 2 2 348.878 3.311 20 0 EGADLP Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352772822 456293564 /nfs/dbraw/zinc/29/35/64/456293564.db2.gz SEUQBYPVHSPLQP-HNNXBMFYSA-N 2 2 333.501 3.379 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000352778519 456298577 /nfs/dbraw/zinc/29/85/77/456298577.db2.gz HOFQQOBOTANBLW-AEFFLSMTSA-N 2 2 331.485 3.215 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739571 456301293 /nfs/dbraw/zinc/30/12/93/456301293.db2.gz POIVGKQGNARMSL-IBGZPJMESA-N 2 2 343.446 3.413 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739571 456301298 /nfs/dbraw/zinc/30/12/98/456301298.db2.gz POIVGKQGNARMSL-IBGZPJMESA-N 2 2 343.446 3.413 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739571 456301303 /nfs/dbraw/zinc/30/13/03/456301303.db2.gz POIVGKQGNARMSL-IBGZPJMESA-N 2 2 343.446 3.413 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)CC1 ZINC000275739571 456301309 /nfs/dbraw/zinc/30/13/09/456301309.db2.gz POIVGKQGNARMSL-IBGZPJMESA-N 2 2 343.446 3.413 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000275763375 456307292 /nfs/dbraw/zinc/30/72/92/456307292.db2.gz YAIGBZTXWTXKGU-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000275763375 456307289 /nfs/dbraw/zinc/30/72/89/456307289.db2.gz YAIGBZTXWTXKGU-IUODEOHRSA-N 2 2 341.293 3.230 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc12 ZINC000352794447 456314768 /nfs/dbraw/zinc/31/47/68/456314768.db2.gz AZSILFXCIFTCRK-QGZVFWFLSA-N 2 2 341.503 3.210 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc12 ZINC000352794447 456314772 /nfs/dbraw/zinc/31/47/72/456314772.db2.gz AZSILFXCIFTCRK-QGZVFWFLSA-N 2 2 341.503 3.210 20 0 EGADLP COc1cncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000290390819 456314991 /nfs/dbraw/zinc/31/49/91/456314991.db2.gz SFWSRUSAQQXVDD-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000290390819 456314996 /nfs/dbraw/zinc/31/49/96/456314996.db2.gz SFWSRUSAQQXVDD-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000290390819 456314997 /nfs/dbraw/zinc/31/49/97/456314997.db2.gz SFWSRUSAQQXVDD-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000290390819 456315001 /nfs/dbraw/zinc/31/50/01/456315001.db2.gz SFWSRUSAQQXVDD-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000337001880 456320839 /nfs/dbraw/zinc/32/08/39/456320839.db2.gz VCNFNMHZHGFAOO-ZDUSSCGKSA-N 2 2 339.418 3.239 20 0 EGADLP C[C@H](CC[NH2+]Cc1cnc([C@H](C)O)s1)[N@H+](C)Cc1ccccc1 ZINC000290436556 456328311 /nfs/dbraw/zinc/32/83/11/456328311.db2.gz RYACXMCQMACYRR-CABCVRRESA-N 2 2 333.501 3.197 20 0 EGADLP C[C@H](CC[NH2+]Cc1cnc([C@H](C)O)s1)[N@@H+](C)Cc1ccccc1 ZINC000290436556 456328317 /nfs/dbraw/zinc/32/83/17/456328317.db2.gz RYACXMCQMACYRR-CABCVRRESA-N 2 2 333.501 3.197 20 0 EGADLP COc1cccc2c(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c12 ZINC000302418207 456342200 /nfs/dbraw/zinc/34/22/00/456342200.db2.gz IJNRVJBXFAYNIK-GASCZTMLSA-N 2 2 329.444 3.155 20 0 EGADLP COc1cccc2c(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c12 ZINC000302418207 456342203 /nfs/dbraw/zinc/34/22/03/456342203.db2.gz IJNRVJBXFAYNIK-GASCZTMLSA-N 2 2 329.444 3.155 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3OC(F)F)sc2C1 ZINC000337289645 456343763 /nfs/dbraw/zinc/34/37/63/456343763.db2.gz LUUBECFRCXOAEM-DGCLKSJQSA-N 2 2 345.459 3.160 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3OC(F)F)sc2C1 ZINC000337289645 456343775 /nfs/dbraw/zinc/34/37/75/456343775.db2.gz LUUBECFRCXOAEM-DGCLKSJQSA-N 2 2 345.459 3.160 20 0 EGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508091 456347797 /nfs/dbraw/zinc/34/77/97/456347797.db2.gz PKNRADNENCXOGM-GXTWGEPZSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508091 456347800 /nfs/dbraw/zinc/34/78/00/456347800.db2.gz PKNRADNENCXOGM-GXTWGEPZSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508091 456347805 /nfs/dbraw/zinc/34/78/05/456347805.db2.gz PKNRADNENCXOGM-GXTWGEPZSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508091 456347811 /nfs/dbraw/zinc/34/78/11/456347811.db2.gz PKNRADNENCXOGM-GXTWGEPZSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508144 456348653 /nfs/dbraw/zinc/34/86/53/456348653.db2.gz PKNRADNENCXOGM-TZMCWYRMSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508144 456348657 /nfs/dbraw/zinc/34/86/57/456348657.db2.gz PKNRADNENCXOGM-TZMCWYRMSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508144 456348663 /nfs/dbraw/zinc/34/86/63/456348663.db2.gz PKNRADNENCXOGM-TZMCWYRMSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508144 456348667 /nfs/dbraw/zinc/34/86/67/456348667.db2.gz PKNRADNENCXOGM-TZMCWYRMSA-N 2 2 326.868 3.129 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531066 456355816 /nfs/dbraw/zinc/35/58/16/456355816.db2.gz QSNNUYCEUDOPQF-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531066 456355824 /nfs/dbraw/zinc/35/58/24/456355824.db2.gz QSNNUYCEUDOPQF-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)ccc1Br ZINC000290531066 456355831 /nfs/dbraw/zinc/35/58/31/456355831.db2.gz QSNNUYCEUDOPQF-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)ccc1Br ZINC000290531066 456355837 /nfs/dbraw/zinc/35/58/37/456355837.db2.gz QSNNUYCEUDOPQF-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP COCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccc2c(c1)OCO2 ZINC000347765923 456357857 /nfs/dbraw/zinc/35/78/57/456357857.db2.gz CZPAFJNQDJNMCT-UHFFFAOYSA-N 2 2 342.439 3.200 20 0 EGADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccc2c(c1)OCO2 ZINC000347765923 456357862 /nfs/dbraw/zinc/35/78/62/456357862.db2.gz CZPAFJNQDJNMCT-UHFFFAOYSA-N 2 2 342.439 3.200 20 0 EGADLP Brc1ccc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)nc1 ZINC000340285089 456363028 /nfs/dbraw/zinc/36/30/28/456363028.db2.gz MTZCWMDUIXGFCD-OAHLLOKOSA-N 2 2 335.249 3.268 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)OCCO2 ZINC000352852800 456363598 /nfs/dbraw/zinc/36/35/98/456363598.db2.gz IYRRWQKBNCAGCK-UHFFFAOYSA-N 2 2 345.468 3.282 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000340299552 456371395 /nfs/dbraw/zinc/37/13/95/456371395.db2.gz ZQZFRRVHQKDQLM-SLFFLAALSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000340299552 456371401 /nfs/dbraw/zinc/37/14/01/456371401.db2.gz ZQZFRRVHQKDQLM-SLFFLAALSA-N 2 2 328.431 3.284 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)COCc2ccccc2)s1 ZINC000352866232 456373944 /nfs/dbraw/zinc/37/39/44/456373944.db2.gz KUWXRQIUVWBAJO-UHFFFAOYSA-N 2 2 333.501 3.290 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)nc1 ZINC000290610524 456383390 /nfs/dbraw/zinc/38/33/90/456383390.db2.gz HYXCTQFQHHZQDE-GFCCVEGCSA-N 2 2 335.249 3.392 20 0 EGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](COC)Cc1ccccc1 ZINC000347870775 456417062 /nfs/dbraw/zinc/41/70/62/456417062.db2.gz RZULMKZRZUVZLQ-KRWDZBQOSA-N 2 2 347.528 3.284 20 0 EGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@H](COC)Cc1ccccc1 ZINC000347870775 456417067 /nfs/dbraw/zinc/41/70/67/456417067.db2.gz RZULMKZRZUVZLQ-KRWDZBQOSA-N 2 2 347.528 3.284 20 0 EGADLP CC(C)c1nc(NCC2CC[NH+](CCO)CC2)cc(C(C)(C)C)[nH+]1 ZINC000302881505 456425927 /nfs/dbraw/zinc/42/59/27/456425927.db2.gz IBNZCPHETRWGDW-UHFFFAOYSA-N 2 2 334.508 3.014 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000340381394 456426903 /nfs/dbraw/zinc/42/69/03/456426903.db2.gz XELFLIFWHYYMJH-PZJWPPBQSA-N 2 2 349.478 3.348 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000340381394 456426908 /nfs/dbraw/zinc/42/69/08/456426908.db2.gz XELFLIFWHYYMJH-PZJWPPBQSA-N 2 2 349.478 3.348 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1c[nH]c2nccnc12 ZINC000290928113 456470851 /nfs/dbraw/zinc/47/08/51/456470851.db2.gz ROVQSURGTBWMPF-GOSISDBHSA-N 2 2 337.471 3.204 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1c[nH]c2nccnc12 ZINC000290928113 456470862 /nfs/dbraw/zinc/47/08/62/456470862.db2.gz ROVQSURGTBWMPF-GOSISDBHSA-N 2 2 337.471 3.204 20 0 EGADLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000298549930 456488100 /nfs/dbraw/zinc/48/81/00/456488100.db2.gz UNGRUEXEXZYBIZ-HXUWFJFHSA-N 2 2 343.515 3.049 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccncc1F ZINC000340517123 456504144 /nfs/dbraw/zinc/50/41/44/456504144.db2.gz LHUZAPRDMWOQLR-AWEZNQCLSA-N 2 2 343.450 3.319 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCC[NH+](C(C)C)C(C)C)c1C ZINC000348179403 456517845 /nfs/dbraw/zinc/51/78/45/456517845.db2.gz JNWZPJCKEBUUSH-UHFFFAOYSA-N 2 2 341.503 3.498 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466261 456523392 /nfs/dbraw/zinc/52/33/92/456523392.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466261 456523399 /nfs/dbraw/zinc/52/33/99/456523399.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466261 456523402 /nfs/dbraw/zinc/52/34/02/456523402.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466261 456523409 /nfs/dbraw/zinc/52/34/09/456523409.db2.gz OZTAOGZXQYIFLJ-YZGWKJHDSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC1CCOCC1 ZINC000348188721 456525708 /nfs/dbraw/zinc/52/57/08/456525708.db2.gz UJGHSBJKBKRJGF-QGZVFWFLSA-N 2 2 327.472 3.474 20 0 EGADLP C[C@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)C1CCC(F)(F)CC1 ZINC000353276452 456604864 /nfs/dbraw/zinc/60/48/64/456604864.db2.gz MGFWWLRWQXUGIS-AWEZNQCLSA-N 2 2 338.446 3.459 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1)C1CC1 ZINC000348313238 456616497 /nfs/dbraw/zinc/61/64/97/456616497.db2.gz GPVZRQWHJUZGEX-UHFFFAOYSA-N 2 2 339.439 3.005 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1)C1CC1 ZINC000348313238 456616503 /nfs/dbraw/zinc/61/65/03/456616503.db2.gz GPVZRQWHJUZGEX-UHFFFAOYSA-N 2 2 339.439 3.005 20 0 EGADLP Clc1cnccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348330387 456627279 /nfs/dbraw/zinc/62/72/79/456627279.db2.gz XHMCOOHLZZEBGS-ROUUACIJSA-N 2 2 327.859 3.299 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337417 456632192 /nfs/dbraw/zinc/63/21/92/456632192.db2.gz FOYNOVXYEUNZPA-ICSRJNTNSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337417 456632195 /nfs/dbraw/zinc/63/21/95/456632195.db2.gz FOYNOVXYEUNZPA-ICSRJNTNSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337417 456632201 /nfs/dbraw/zinc/63/22/01/456632201.db2.gz FOYNOVXYEUNZPA-ICSRJNTNSA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337417 456632206 /nfs/dbraw/zinc/63/22/06/456632206.db2.gz FOYNOVXYEUNZPA-ICSRJNTNSA-N 2 2 345.531 3.260 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335497 456632710 /nfs/dbraw/zinc/63/27/10/456632710.db2.gz QTOLJNRDJICYBK-MMOPVJDHSA-N 2 2 345.531 3.291 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000348335497 456632720 /nfs/dbraw/zinc/63/27/20/456632720.db2.gz QTOLJNRDJICYBK-MMOPVJDHSA-N 2 2 345.531 3.291 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000353384107 456663301 /nfs/dbraw/zinc/66/33/01/456663301.db2.gz JXMDENAINQNFHO-XJKSGUPXSA-N 2 2 334.410 3.205 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Cn1c(C)[nH+]c2ccccc21)CC(C)C ZINC000338160705 456673102 /nfs/dbraw/zinc/67/31/02/456673102.db2.gz WJVNJARNIFGGEU-KRWDZBQOSA-N 2 2 344.503 3.217 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353537327 456742333 /nfs/dbraw/zinc/74/23/33/456742333.db2.gz ZWLLQFOMAQKEQO-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353537327 456742335 /nfs/dbraw/zinc/74/23/35/456742335.db2.gz ZWLLQFOMAQKEQO-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353537327 456742340 /nfs/dbraw/zinc/74/23/40/456742340.db2.gz ZWLLQFOMAQKEQO-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353537327 456742344 /nfs/dbraw/zinc/74/23/44/456742344.db2.gz ZWLLQFOMAQKEQO-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000348537843 456746978 /nfs/dbraw/zinc/74/69/78/456746978.db2.gz YUFCICJIIXDAOJ-LBPRGKRZSA-N 2 2 329.379 3.040 20 0 EGADLP CC[C@H]([NH2+]CCCn1c(C)[nH+]c2ccccc21)C1(C(=O)OC)CCC1 ZINC000353546422 456748406 /nfs/dbraw/zinc/74/84/06/456748406.db2.gz WIKHZELBOATZRX-SFHVURJKSA-N 2 2 343.471 3.446 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000353548267 456749816 /nfs/dbraw/zinc/74/98/16/456749816.db2.gz LAHVDMQHBUGWIN-SFHVURJKSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000353548267 456749825 /nfs/dbraw/zinc/74/98/25/456749825.db2.gz LAHVDMQHBUGWIN-SFHVURJKSA-N 2 2 335.455 3.061 20 0 EGADLP CC(C)c1cc(N2CCC(OCC[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000341305654 456838630 /nfs/dbraw/zinc/83/86/30/456838630.db2.gz RYJUDCPKQVQHHL-UHFFFAOYSA-N 2 2 334.508 3.270 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000338686317 456851609 /nfs/dbraw/zinc/85/16/09/456851609.db2.gz FTIIQGVBKCZSAY-ATZDWAIDSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000338686317 456851613 /nfs/dbraw/zinc/85/16/13/456851613.db2.gz FTIIQGVBKCZSAY-ATZDWAIDSA-N 2 2 330.472 3.242 20 0 EGADLP COc1ccc(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000341500310 456870194 /nfs/dbraw/zinc/87/01/94/456870194.db2.gz LXROHRFUEFWBOM-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829944 456874023 /nfs/dbraw/zinc/87/40/23/456874023.db2.gz XFUZEXRLDKHHPU-AEFFLSMTSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829944 456874026 /nfs/dbraw/zinc/87/40/26/456874026.db2.gz XFUZEXRLDKHHPU-AEFFLSMTSA-N 2 2 349.906 3.076 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749701 456888816 /nfs/dbraw/zinc/88/88/16/456888816.db2.gz GHLRHJISXHARGL-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749701 456888822 /nfs/dbraw/zinc/88/88/22/456888822.db2.gz GHLRHJISXHARGL-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749701 456888827 /nfs/dbraw/zinc/88/88/27/456888827.db2.gz GHLRHJISXHARGL-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000353749701 456888834 /nfs/dbraw/zinc/88/88/34/456888834.db2.gz GHLRHJISXHARGL-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751836 456890202 /nfs/dbraw/zinc/89/02/02/456890202.db2.gz KNDMXBZOGWMISN-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751836 456890203 /nfs/dbraw/zinc/89/02/03/456890203.db2.gz KNDMXBZOGWMISN-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751836 456890205 /nfs/dbraw/zinc/89/02/05/456890205.db2.gz KNDMXBZOGWMISN-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cn2)C[C@H]1C ZINC000353751836 456890208 /nfs/dbraw/zinc/89/02/08/456890208.db2.gz KNDMXBZOGWMISN-DOMZBBRYSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+](CC)CCOC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000339053615 456917976 /nfs/dbraw/zinc/91/79/76/456917976.db2.gz BPCZBINWOMCCGN-UHFFFAOYSA-N 2 2 345.409 3.428 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000341771558 456936862 /nfs/dbraw/zinc/93/68/62/456936862.db2.gz ITAFQXREWANCOO-INIZCTEOSA-N 2 2 339.439 3.349 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000341771558 456936864 /nfs/dbraw/zinc/93/68/64/456936864.db2.gz ITAFQXREWANCOO-INIZCTEOSA-N 2 2 339.439 3.349 20 0 EGADLP CCN(C)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000349404121 456962827 /nfs/dbraw/zinc/96/28/27/456962827.db2.gz FAWZZDHJNUUTDL-UHFFFAOYSA-N 2 2 341.503 3.427 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H](c2cccs2)N2CCOCC2)c[nH+]1 ZINC000353935338 456971964 /nfs/dbraw/zinc/97/19/64/456971964.db2.gz VZFRYYUJFBJDAW-GOSISDBHSA-N 2 2 345.512 3.047 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000345291621 456973818 /nfs/dbraw/zinc/97/38/18/456973818.db2.gz BLYAMASDIXVFBB-PMUMKWKESA-N 2 2 347.894 3.202 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000345291621 456973820 /nfs/dbraw/zinc/97/38/20/456973820.db2.gz BLYAMASDIXVFBB-PMUMKWKESA-N 2 2 347.894 3.202 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353948573 456976010 /nfs/dbraw/zinc/97/60/10/456976010.db2.gz VUIBGVPUJADGQG-NWDGAFQWSA-N 2 2 332.366 3.166 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000353948573 456976012 /nfs/dbraw/zinc/97/60/12/456976012.db2.gz VUIBGVPUJADGQG-NWDGAFQWSA-N 2 2 332.366 3.166 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c[nH+]1 ZINC000339185709 456982986 /nfs/dbraw/zinc/98/29/86/456982986.db2.gz WXZWQWZTFOGIOR-CQSZACIVSA-N 2 2 326.444 3.023 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c[nH+]1 ZINC000339185709 456982989 /nfs/dbraw/zinc/98/29/89/456982989.db2.gz WXZWQWZTFOGIOR-CQSZACIVSA-N 2 2 326.444 3.023 20 0 EGADLP CC(C)C[C@H]1COCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888334 456988400 /nfs/dbraw/zinc/98/84/00/456988400.db2.gz IYXUSCIYIHIFEW-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@H]1COCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888334 456988401 /nfs/dbraw/zinc/98/84/01/456988401.db2.gz IYXUSCIYIHIFEW-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@H]1COCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341888334 456988402 /nfs/dbraw/zinc/98/84/02/456988402.db2.gz IYXUSCIYIHIFEW-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@H]1COCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341888334 456988404 /nfs/dbraw/zinc/98/84/04/456988404.db2.gz IYXUSCIYIHIFEW-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+](CC)CC ZINC000341900922 456992740 /nfs/dbraw/zinc/99/27/40/456992740.db2.gz LQIMAPMBINTRRN-SFHVURJKSA-N 2 2 334.508 3.022 20 0 EGADLP Cc1ccn2c(CN3CC[NH+](Cc4ccccc4C)CC3)c[nH+]c2c1 ZINC000349619161 456996955 /nfs/dbraw/zinc/99/69/55/456996955.db2.gz YIQBQZNBSVVMQD-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccccc3-c3cnn(C)c3)n2c1 ZINC000362674803 457037363 /nfs/dbraw/zinc/03/73/63/457037363.db2.gz FDKQVZMSNWBCMF-UHFFFAOYSA-N 2 2 331.423 3.333 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087919 457054214 /nfs/dbraw/zinc/05/42/14/457054214.db2.gz HZHMPOGVQZXTKI-RDJZCZTQSA-N 2 2 335.517 3.158 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087919 457054219 /nfs/dbraw/zinc/05/42/19/457054219.db2.gz HZHMPOGVQZXTKI-RDJZCZTQSA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087919 457054224 /nfs/dbraw/zinc/05/42/24/457054224.db2.gz HZHMPOGVQZXTKI-RDJZCZTQSA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087919 457054228 /nfs/dbraw/zinc/05/42/28/457054228.db2.gz HZHMPOGVQZXTKI-RDJZCZTQSA-N 2 2 335.517 3.158 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000354101510 457063763 /nfs/dbraw/zinc/06/37/63/457063763.db2.gz VBTDOJZJOWNVIO-QGZVFWFLSA-N 2 2 330.472 3.012 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000354101510 457063765 /nfs/dbraw/zinc/06/37/65/457063765.db2.gz VBTDOJZJOWNVIO-QGZVFWFLSA-N 2 2 330.472 3.012 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000354101510 457063771 /nfs/dbraw/zinc/06/37/71/457063771.db2.gz VBTDOJZJOWNVIO-QGZVFWFLSA-N 2 2 330.472 3.012 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000354101510 457063776 /nfs/dbraw/zinc/06/37/76/457063776.db2.gz VBTDOJZJOWNVIO-QGZVFWFLSA-N 2 2 330.472 3.012 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579044 457066520 /nfs/dbraw/zinc/06/65/20/457066520.db2.gz PSINDPBCWFKCIV-IRXDYDNUSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579044 457066522 /nfs/dbraw/zinc/06/65/22/457066522.db2.gz PSINDPBCWFKCIV-IRXDYDNUSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579044 457066524 /nfs/dbraw/zinc/06/65/24/457066524.db2.gz PSINDPBCWFKCIV-IRXDYDNUSA-N 2 2 348.487 3.461 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1C ZINC000356579044 457066526 /nfs/dbraw/zinc/06/65/26/457066526.db2.gz PSINDPBCWFKCIV-IRXDYDNUSA-N 2 2 348.487 3.461 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000342090756 457104055 /nfs/dbraw/zinc/10/40/55/457104055.db2.gz BWOYFHYVWNQXNE-JKQORVJESA-N 2 2 349.906 3.343 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165677 457104158 /nfs/dbraw/zinc/10/41/58/457104158.db2.gz HIMOWNIZEYFZCJ-MRXNPFEDSA-N 2 2 339.277 3.072 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1 ZINC000342090756 457104061 /nfs/dbraw/zinc/10/40/61/457104061.db2.gz BWOYFHYVWNQXNE-JKQORVJESA-N 2 2 349.906 3.343 20 0 EGADLP CSc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCC[NH+](C)C3)OCCO2 ZINC000354167556 457105130 /nfs/dbraw/zinc/10/51/30/457105130.db2.gz RIYKMJGAASDLFO-LJQANCHMSA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH+](C)C3)OCCO2 ZINC000354167556 457105136 /nfs/dbraw/zinc/10/51/36/457105136.db2.gz RIYKMJGAASDLFO-LJQANCHMSA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CC[C@]3(C1)CCC[N@H+](C)C3)OCCO2 ZINC000354167556 457105143 /nfs/dbraw/zinc/10/51/43/457105143.db2.gz RIYKMJGAASDLFO-LJQANCHMSA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CC[C@]3(C1)CCC[N@@H+](C)C3)OCCO2 ZINC000354167556 457105148 /nfs/dbraw/zinc/10/51/48/457105148.db2.gz RIYKMJGAASDLFO-LJQANCHMSA-N 2 2 348.512 3.097 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000359669445 457108341 /nfs/dbraw/zinc/10/83/41/457108341.db2.gz DBYHXMLZBWPSFD-OXJNMPFZSA-N 2 2 326.488 3.319 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000346701184 457119017 /nfs/dbraw/zinc/11/90/17/457119017.db2.gz RGIATWGGPZPMLF-XLIONFOSSA-N 2 2 327.516 3.256 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000354204770 457128415 /nfs/dbraw/zinc/12/84/15/457128415.db2.gz OTIRJLKCRFTQAQ-SCTDSRPQSA-N 2 2 331.504 3.011 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000354204770 457128420 /nfs/dbraw/zinc/12/84/20/457128420.db2.gz OTIRJLKCRFTQAQ-SCTDSRPQSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000354204770 457128427 /nfs/dbraw/zinc/12/84/27/457128427.db2.gz OTIRJLKCRFTQAQ-SCTDSRPQSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000354204770 457128431 /nfs/dbraw/zinc/12/84/31/457128431.db2.gz OTIRJLKCRFTQAQ-SCTDSRPQSA-N 2 2 331.504 3.011 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362859661 457129375 /nfs/dbraw/zinc/12/93/75/457129375.db2.gz NROAKYJPEXGYHN-OAHLLOKOSA-N 2 2 326.444 3.351 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362859661 457129378 /nfs/dbraw/zinc/12/93/78/457129378.db2.gz NROAKYJPEXGYHN-OAHLLOKOSA-N 2 2 326.444 3.351 20 0 EGADLP c1ccc2c(NCc3cccc(C[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC000346726821 457133732 /nfs/dbraw/zinc/13/37/32/457133732.db2.gz VCMVHADCCIKIPM-UHFFFAOYSA-N 2 2 333.435 3.101 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000359953378 457170053 /nfs/dbraw/zinc/17/00/53/457170053.db2.gz WIICMXKCJGTVGW-HNNXBMFYSA-N 2 2 331.504 3.212 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047763 457224429 /nfs/dbraw/zinc/22/44/29/457224429.db2.gz YNXYKQBXZMOUMU-WCQYABFASA-N 2 2 326.387 3.184 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047763 457224434 /nfs/dbraw/zinc/22/44/34/457224434.db2.gz YNXYKQBXZMOUMU-WCQYABFASA-N 2 2 326.387 3.184 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@@H+]1Cc1ccccc1 ZINC000342303937 457224754 /nfs/dbraw/zinc/22/47/54/457224754.db2.gz FMTRRBBUGMNSBJ-APWZRJJASA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)ncn3C)CC[N@H+]1Cc1ccccc1 ZINC000342303937 457224761 /nfs/dbraw/zinc/22/47/61/457224761.db2.gz FMTRRBBUGMNSBJ-APWZRJJASA-N 2 2 334.467 3.326 20 0 EGADLP c1nc(-c2ccccn2)sc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347117300 457238364 /nfs/dbraw/zinc/23/83/64/457238364.db2.gz UIVFXYUTGTYYOK-UHFFFAOYSA-N 2 2 328.485 3.169 20 0 EGADLP c1nc(-c2ccncc2)sc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347120122 457239067 /nfs/dbraw/zinc/23/90/67/457239067.db2.gz VKWWBPDNGCBBQZ-UHFFFAOYSA-N 2 2 328.485 3.169 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347137579 457250787 /nfs/dbraw/zinc/25/07/87/457250787.db2.gz WWCPGNZZMGAHFL-LJQANCHMSA-N 2 2 328.412 3.012 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347137579 457250793 /nfs/dbraw/zinc/25/07/93/457250793.db2.gz WWCPGNZZMGAHFL-LJQANCHMSA-N 2 2 328.412 3.012 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347159955 457262282 /nfs/dbraw/zinc/26/22/82/457262282.db2.gz GLPDCWIRUHFHQX-ZDUSSCGKSA-N 2 2 326.868 3.308 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000347159955 457262290 /nfs/dbraw/zinc/26/22/90/457262290.db2.gz GLPDCWIRUHFHQX-ZDUSSCGKSA-N 2 2 326.868 3.308 20 0 EGADLP CCC[C@@H](C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000332189899 457323336 /nfs/dbraw/zinc/32/33/36/457323336.db2.gz GFIDUFXBSGKAFN-SFHVURJKSA-N 2 2 342.487 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccnn1-c1ccccc1 ZINC000369750498 457381855 /nfs/dbraw/zinc/38/18/55/457381855.db2.gz OKJDDOSBDBQBTB-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000357265124 457408863 /nfs/dbraw/zinc/40/88/63/457408863.db2.gz DXCKDJKMXXNAIS-QGZVFWFLSA-N 2 2 348.878 3.044 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC000378956735 457415793 /nfs/dbraw/zinc/41/57/93/457415793.db2.gz UCMPYGSODKQSIP-HOTGVXAUSA-N 2 2 332.488 3.373 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC000378956735 457415799 /nfs/dbraw/zinc/41/57/99/457415799.db2.gz UCMPYGSODKQSIP-HOTGVXAUSA-N 2 2 332.488 3.373 20 0 EGADLP COc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000379650956 457416467 /nfs/dbraw/zinc/41/64/67/457416467.db2.gz TUKIHFNLGYSFEP-GOEBONIOSA-N 2 2 331.485 3.294 20 0 EGADLP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)s1 ZINC000379650956 457416473 /nfs/dbraw/zinc/41/64/73/457416473.db2.gz TUKIHFNLGYSFEP-GOEBONIOSA-N 2 2 331.485 3.294 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000352535006 457446420 /nfs/dbraw/zinc/44/64/20/457446420.db2.gz LDIDZKKOFXIZIE-IBGZPJMESA-N 2 2 344.890 3.316 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2Cl)n1 ZINC000352535006 457446424 /nfs/dbraw/zinc/44/64/24/457446424.db2.gz LDIDZKKOFXIZIE-IBGZPJMESA-N 2 2 344.890 3.316 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000360965431 457472192 /nfs/dbraw/zinc/47/21/92/457472192.db2.gz GLHOYWTXUFRFSI-KKSFZXQISA-N 2 2 344.499 3.317 20 0 EGADLP COC(=O)CCC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000360969582 457476517 /nfs/dbraw/zinc/47/65/17/457476517.db2.gz UGNUOGCQTKSMQZ-SFHVURJKSA-N 2 2 332.488 3.002 20 0 EGADLP COC(=O)CCC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000360969582 457476520 /nfs/dbraw/zinc/47/65/20/457476520.db2.gz UGNUOGCQTKSMQZ-SFHVURJKSA-N 2 2 332.488 3.002 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCCS2 ZINC000364121389 457487603 /nfs/dbraw/zinc/48/76/03/457487603.db2.gz MUXYGMALEIAMGK-QILLFSRXSA-N 2 2 348.512 3.075 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCCS2 ZINC000364121389 457487608 /nfs/dbraw/zinc/48/76/08/457487608.db2.gz MUXYGMALEIAMGK-QILLFSRXSA-N 2 2 348.512 3.075 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005819 457493904 /nfs/dbraw/zinc/49/39/04/457493904.db2.gz QHPANQRXEAPWLR-JSGCOSHPSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000398005819 457493908 /nfs/dbraw/zinc/49/39/08/457493908.db2.gz QHPANQRXEAPWLR-JSGCOSHPSA-N 2 2 331.851 3.035 20 0 EGADLP COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339565 457504863 /nfs/dbraw/zinc/50/48/63/457504863.db2.gz CQWJDMBJWFOLAL-RDTXWAMCSA-N 2 2 328.460 3.078 20 0 EGADLP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425339565 457504867 /nfs/dbraw/zinc/50/48/67/457504867.db2.gz CQWJDMBJWFOLAL-RDTXWAMCSA-N 2 2 328.460 3.078 20 0 EGADLP c1[nH+]c2ccccn2c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425352009 457513457 /nfs/dbraw/zinc/51/34/57/457513457.db2.gz OFNAUEDSTVYROW-AZUAARDMSA-N 2 2 332.451 3.041 20 0 EGADLP c1[nH+]c2ccccn2c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425352009 457513462 /nfs/dbraw/zinc/51/34/62/457513462.db2.gz OFNAUEDSTVYROW-AZUAARDMSA-N 2 2 332.451 3.041 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352672730 457519555 /nfs/dbraw/zinc/51/95/55/457519555.db2.gz AFGMVZYACZPMNC-VKJFTORMSA-N 2 2 344.503 3.492 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352672730 457519563 /nfs/dbraw/zinc/51/95/63/457519563.db2.gz AFGMVZYACZPMNC-VKJFTORMSA-N 2 2 344.503 3.492 20 0 EGADLP COC(=O)[C@H](CC[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000425402735 457537142 /nfs/dbraw/zinc/53/71/42/457537142.db2.gz GTYJRUORVDHMRM-HXUWFJFHSA-N 2 2 344.499 3.284 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404278228 457540271 /nfs/dbraw/zinc/54/02/71/457540271.db2.gz OCYWSYLRVFFOSB-BBRMVZONSA-N 2 2 337.895 3.345 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(Cl)c1 ZINC000404278228 457540277 /nfs/dbraw/zinc/54/02/77/457540277.db2.gz OCYWSYLRVFFOSB-BBRMVZONSA-N 2 2 337.895 3.345 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000404262245 457541005 /nfs/dbraw/zinc/54/10/05/457541005.db2.gz DXZMHWVLNXHURN-IUODEOHRSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CC[NH3+] ZINC000404262245 457541008 /nfs/dbraw/zinc/54/10/08/457541008.db2.gz DXZMHWVLNXHURN-IUODEOHRSA-N 2 2 334.851 3.339 20 0 EGADLP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352738069 457570408 /nfs/dbraw/zinc/57/04/08/457570408.db2.gz MCIAXALWWNLNOP-YVEFUNNKSA-N 2 2 337.464 3.210 20 0 EGADLP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352738067 457570831 /nfs/dbraw/zinc/57/08/31/457570831.db2.gz MCIAXALWWNLNOP-SJCJKPOMSA-N 2 2 337.464 3.210 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000370312959 457616613 /nfs/dbraw/zinc/61/66/13/457616613.db2.gz FGWOXILHAPBIOG-WOJBJXKFSA-N 2 2 344.499 3.381 20 0 EGADLP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000374565260 457662505 /nfs/dbraw/zinc/66/25/05/457662505.db2.gz ZOFBADQIROKLGI-RDTXWAMCSA-N 2 2 333.439 3.179 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000361254435 457668578 /nfs/dbraw/zinc/66/85/78/457668578.db2.gz YKNSYCWOOTUCGU-KGLIPLIRSA-N 2 2 339.443 3.256 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000361254435 457668579 /nfs/dbraw/zinc/66/85/79/457668579.db2.gz YKNSYCWOOTUCGU-KGLIPLIRSA-N 2 2 339.443 3.256 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000370668978 457696499 /nfs/dbraw/zinc/69/64/99/457696499.db2.gz CCWMWSZGRMQZDP-GFCCVEGCSA-N 2 2 327.457 3.445 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000361344233 457700189 /nfs/dbraw/zinc/70/01/89/457700189.db2.gz RLKMKGSUCBJSKH-CVEARBPZSA-N 2 2 336.549 3.273 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000361344233 457700191 /nfs/dbraw/zinc/70/01/91/457700191.db2.gz RLKMKGSUCBJSKH-CVEARBPZSA-N 2 2 336.549 3.273 20 0 EGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361431983 457729998 /nfs/dbraw/zinc/72/99/98/457729998.db2.gz HXPBFCJCNWOTPK-HNNXBMFYSA-N 2 2 335.458 3.113 20 0 EGADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361431983 457730001 /nfs/dbraw/zinc/73/00/01/457730001.db2.gz HXPBFCJCNWOTPK-HNNXBMFYSA-N 2 2 335.458 3.113 20 0 EGADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443509428 457772173 /nfs/dbraw/zinc/77/21/73/457772173.db2.gz LARVYBBJHZDTHD-JTQLQIEISA-N 2 2 338.224 3.277 20 0 EGADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443509428 457772176 /nfs/dbraw/zinc/77/21/76/457772176.db2.gz LARVYBBJHZDTHD-JTQLQIEISA-N 2 2 338.224 3.277 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)o1 ZINC000426350297 457808989 /nfs/dbraw/zinc/80/89/89/457808989.db2.gz WYXZJSVDNXIJHO-DOTOQJQBSA-N 2 2 337.508 3.162 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)o1 ZINC000426350297 457808996 /nfs/dbraw/zinc/80/89/96/457808996.db2.gz WYXZJSVDNXIJHO-DOTOQJQBSA-N 2 2 337.508 3.162 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181154 457841026 /nfs/dbraw/zinc/84/10/26/457841026.db2.gz TZJLDNOJLXBHQM-YOEHRIQHSA-N 2 2 342.512 3.210 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181154 457841032 /nfs/dbraw/zinc/84/10/32/457841032.db2.gz TZJLDNOJLXBHQM-YOEHRIQHSA-N 2 2 342.512 3.210 20 0 EGADLP c1ccc(C[NH+]2CCC(CNc3cc[nH+]c4ccncc34)CC2)cc1 ZINC000444114293 457853488 /nfs/dbraw/zinc/85/34/88/457853488.db2.gz JASICURPAGSNTK-UHFFFAOYSA-N 2 2 332.451 3.376 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295600 457853452 /nfs/dbraw/zinc/85/34/52/457853452.db2.gz STYNDXFCLYLEPF-IXDOHACOSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295600 457853459 /nfs/dbraw/zinc/85/34/59/457853459.db2.gz STYNDXFCLYLEPF-IXDOHACOSA-N 2 2 347.484 3.087 20 0 EGADLP COc1cc(F)c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1OC ZINC000358218106 457867052 /nfs/dbraw/zinc/86/70/52/457867052.db2.gz JFPLWQYZNWTPJB-ZDUSSCGKSA-N 2 2 343.402 3.384 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358238186 457878229 /nfs/dbraw/zinc/87/82/29/457878229.db2.gz MKKQIGKLVCQSBI-IZBJGVDFSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000358238186 457878233 /nfs/dbraw/zinc/87/82/33/457878233.db2.gz MKKQIGKLVCQSBI-IZBJGVDFSA-N 2 2 345.531 3.475 20 0 EGADLP CS[C@@H]1CN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)C[C@@H]1[NH+](C)C ZINC000433775551 457883492 /nfs/dbraw/zinc/88/34/92/457883492.db2.gz UTVHCAQKIBHUKO-UONOGXRCSA-N 2 2 336.549 3.379 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411423000 457883865 /nfs/dbraw/zinc/88/38/65/457883865.db2.gz LYRSJLXHJNULCH-UHFFFAOYSA-N 3 2 326.488 3.391 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411423000 457883871 /nfs/dbraw/zinc/88/38/71/457883871.db2.gz LYRSJLXHJNULCH-UHFFFAOYSA-N 3 2 326.488 3.391 20 0 EGADLP Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411436669 457888247 /nfs/dbraw/zinc/88/82/47/457888247.db2.gz GCVLUKSNDZMMFS-LJQANCHMSA-N 2 2 339.487 3.138 20 0 EGADLP Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411436669 457888248 /nfs/dbraw/zinc/88/82/48/457888248.db2.gz GCVLUKSNDZMMFS-LJQANCHMSA-N 2 2 339.487 3.138 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ncnn2-c2ccccc2)[nH+]1 ZINC000366896127 457908004 /nfs/dbraw/zinc/90/80/04/457908004.db2.gz LKHMNUDDSMKVIE-SFHVURJKSA-N 2 2 348.454 3.047 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ncnn2-c2ccccc2)[nH+]1 ZINC000366896127 457908010 /nfs/dbraw/zinc/90/80/10/457908010.db2.gz LKHMNUDDSMKVIE-SFHVURJKSA-N 2 2 348.454 3.047 20 0 EGADLP CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361851933 457908070 /nfs/dbraw/zinc/90/80/70/457908070.db2.gz ZZAZKLKZDLHIIV-OAHLLOKOSA-N 2 2 327.428 3.097 20 0 EGADLP CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361851933 457908074 /nfs/dbraw/zinc/90/80/74/457908074.db2.gz ZZAZKLKZDLHIIV-OAHLLOKOSA-N 2 2 327.428 3.097 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000361879073 457926249 /nfs/dbraw/zinc/92/62/49/457926249.db2.gz FUMYQMHBNFVVDA-UZLBHIALSA-N 2 2 328.456 3.130 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000361879073 457926260 /nfs/dbraw/zinc/92/62/60/457926260.db2.gz FUMYQMHBNFVVDA-UZLBHIALSA-N 2 2 328.456 3.130 20 0 EGADLP O[C@@]1(C[NH2+][C@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891502 457935607 /nfs/dbraw/zinc/93/56/07/457935607.db2.gz HZVDLXABAKBFEH-LEWJYISDSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@@]1(C[NH2+][C@H]2CCc3c2cccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000361891502 457935610 /nfs/dbraw/zinc/93/56/10/457935610.db2.gz HZVDLXABAKBFEH-LEWJYISDSA-N 2 2 340.442 3.040 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)[S@]1=O ZINC000411720366 457962815 /nfs/dbraw/zinc/96/28/15/457962815.db2.gz PNENANMLRQOCQD-WSCWJOSJSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)[S@]1=O ZINC000411720366 457962824 /nfs/dbraw/zinc/96/28/24/457962824.db2.gz PNENANMLRQOCQD-WSCWJOSJSA-N 2 2 348.556 3.404 20 0 EGADLP COC(=O)c1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cs1 ZINC000411724047 457963725 /nfs/dbraw/zinc/96/37/25/457963725.db2.gz DCJADVKIEIMSSY-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP COC(=O)c1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cs1 ZINC000411724047 457963731 /nfs/dbraw/zinc/96/37/31/457963731.db2.gz DCJADVKIEIMSSY-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP COC(=O)c1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cs1 ZINC000411724047 457963736 /nfs/dbraw/zinc/96/37/36/457963736.db2.gz DCJADVKIEIMSSY-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP COC(=O)c1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cs1 ZINC000411724047 457963743 /nfs/dbraw/zinc/96/37/43/457963743.db2.gz DCJADVKIEIMSSY-UHFFFAOYSA-N 2 2 336.457 3.082 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(C)cc1 ZINC000361973397 457987449 /nfs/dbraw/zinc/98/74/49/457987449.db2.gz WZYVRSJOMRTQHG-WDYCEAGBSA-N 2 2 341.503 3.408 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411925217 458012328 /nfs/dbraw/zinc/01/23/28/458012328.db2.gz NBUVUMFHMKBFRX-NHCUHLMSSA-N 2 2 333.435 3.489 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411925217 458012331 /nfs/dbraw/zinc/01/23/31/458012331.db2.gz NBUVUMFHMKBFRX-NHCUHLMSSA-N 2 2 333.435 3.489 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032180 458069621 /nfs/dbraw/zinc/06/96/21/458069621.db2.gz JJFVEUVOLSPRBQ-CJNGLKHVSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032180 458069625 /nfs/dbraw/zinc/06/96/25/458069625.db2.gz JJFVEUVOLSPRBQ-CJNGLKHVSA-N 2 2 346.272 3.181 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C[C@H](C)O1 ZINC000375800593 458070257 /nfs/dbraw/zinc/07/02/57/458070257.db2.gz BYUVHTYFYVGNDQ-JZXOWHBKSA-N 2 2 334.508 3.120 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C[C@H](C)O1 ZINC000375800593 458070259 /nfs/dbraw/zinc/07/02/59/458070259.db2.gz BYUVHTYFYVGNDQ-JZXOWHBKSA-N 2 2 334.508 3.120 20 0 EGADLP Cc1ccn(C2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000435054769 458086443 /nfs/dbraw/zinc/08/64/43/458086443.db2.gz FBIBFVPZHPKJRQ-UHFFFAOYSA-N 2 2 327.457 3.276 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000435368453 458120156 /nfs/dbraw/zinc/12/01/56/458120156.db2.gz AMQVUASZWJXNMX-LSDHHAIUSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000435368453 458120162 /nfs/dbraw/zinc/12/01/62/458120162.db2.gz AMQVUASZWJXNMX-LSDHHAIUSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccn2c(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c[nH+]c2c1 ZINC000435384234 458130449 /nfs/dbraw/zinc/13/04/49/458130449.db2.gz LTIQMCLNXFVSAQ-LJQANCHMSA-N 2 2 349.482 3.182 20 0 EGADLP COc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435385359 458131952 /nfs/dbraw/zinc/13/19/52/458131952.db2.gz PVWLZPLKTIGXSI-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP COc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435385359 458131958 /nfs/dbraw/zinc/13/19/58/458131958.db2.gz PVWLZPLKTIGXSI-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000428405358 458135416 /nfs/dbraw/zinc/13/54/16/458135416.db2.gz WKEASNKOIPKHLX-INIZCTEOSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000428405358 458135423 /nfs/dbraw/zinc/13/54/23/458135423.db2.gz WKEASNKOIPKHLX-INIZCTEOSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000428405358 458135431 /nfs/dbraw/zinc/13/54/31/458135431.db2.gz WKEASNKOIPKHLX-INIZCTEOSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](OCC4CC4)C3)sc2C1 ZINC000428405358 458135438 /nfs/dbraw/zinc/13/54/38/458135438.db2.gz WKEASNKOIPKHLX-INIZCTEOSA-N 2 2 349.544 3.301 20 0 EGADLP CN(C(=O)CCCCC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376087877 458190666 /nfs/dbraw/zinc/19/06/66/458190666.db2.gz GIDNMBOLSYNOJX-SFHVURJKSA-N 2 2 337.552 3.220 20 0 EGADLP CN(C(=O)CCCCC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376087877 458190672 /nfs/dbraw/zinc/19/06/72/458190672.db2.gz GIDNMBOLSYNOJX-SFHVURJKSA-N 2 2 337.552 3.220 20 0 EGADLP c1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(-c2ccccc2)o1 ZINC000358762986 458201288 /nfs/dbraw/zinc/20/12/88/458201288.db2.gz BAAOULICPQYQIZ-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP COC[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCCC1 ZINC000446938042 458248318 /nfs/dbraw/zinc/24/83/18/458248318.db2.gz GZLVFLHMNCZXEN-LJQANCHMSA-N 2 2 338.536 3.064 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000429003890 458251170 /nfs/dbraw/zinc/25/11/70/458251170.db2.gz YYHWGTIVGBUCCH-CQSZACIVSA-N 2 2 336.842 3.276 20 0 EGADLP C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000429003890 458251174 /nfs/dbraw/zinc/25/11/74/458251174.db2.gz YYHWGTIVGBUCCH-CQSZACIVSA-N 2 2 336.842 3.276 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459089776 458263635 /nfs/dbraw/zinc/26/36/35/458263635.db2.gz YXPQBGMZBNKSBG-PKOBYXMFSA-N 2 2 346.519 3.398 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436497455 458314907 /nfs/dbraw/zinc/31/49/07/458314907.db2.gz SSBNMAIFMUBRAP-UHFFFAOYSA-N 2 2 337.427 3.487 20 0 EGADLP C[N@@H+](Cc1cnc(C2CC2)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459348720 458338011 /nfs/dbraw/zinc/33/80/11/458338011.db2.gz MSYKWLIOQLKEBW-SFHVURJKSA-N 2 2 336.483 3.308 20 0 EGADLP C[N@H+](Cc1cnc(C2CC2)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459348720 458338013 /nfs/dbraw/zinc/33/80/13/458338013.db2.gz MSYKWLIOQLKEBW-SFHVURJKSA-N 2 2 336.483 3.308 20 0 EGADLP C[NH+](Cc1cnc(C2CC2)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459348720 458338015 /nfs/dbraw/zinc/33/80/15/458338015.db2.gz MSYKWLIOQLKEBW-SFHVURJKSA-N 2 2 336.483 3.308 20 0 EGADLP C[NH+](Cc1cnc(C2CC2)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459348720 458338019 /nfs/dbraw/zinc/33/80/19/458338019.db2.gz MSYKWLIOQLKEBW-SFHVURJKSA-N 2 2 336.483 3.308 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355406 458340523 /nfs/dbraw/zinc/34/05/23/458340523.db2.gz MRDJOHKOWLHOLO-SFHVURJKSA-N 2 2 340.471 3.155 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459355406 458340542 /nfs/dbraw/zinc/34/05/42/458340542.db2.gz MRDJOHKOWLHOLO-SFHVURJKSA-N 2 2 340.471 3.155 20 0 EGADLP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429686472 458358599 /nfs/dbraw/zinc/35/85/99/458358599.db2.gz NMVIENZJRCEUPD-AOIWGVFYSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429686472 458358604 /nfs/dbraw/zinc/35/86/04/458358604.db2.gz NMVIENZJRCEUPD-AOIWGVFYSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1[C@H](C)SCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429686472 458358608 /nfs/dbraw/zinc/35/86/08/458358608.db2.gz NMVIENZJRCEUPD-AOIWGVFYSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1[C@H](C)SCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429686472 458358613 /nfs/dbraw/zinc/35/86/13/458358613.db2.gz NMVIENZJRCEUPD-AOIWGVFYSA-N 2 2 334.529 3.103 20 0 EGADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCCN1c1ccccc1Cl ZINC000459427820 458367782 /nfs/dbraw/zinc/36/77/82/458367782.db2.gz JMXDIDFLBBCZGM-QGZVFWFLSA-N 2 2 347.890 3.052 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000459435930 458369912 /nfs/dbraw/zinc/36/99/12/458369912.db2.gz XVQOZTCWZQDBGG-OLZOCXBDSA-N 2 2 327.266 3.117 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448024323 458379747 /nfs/dbraw/zinc/37/97/47/458379747.db2.gz XQWDDTKODDTUMS-MAUKXSAKSA-N 2 2 347.503 3.122 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000448024323 458379752 /nfs/dbraw/zinc/37/97/52/458379752.db2.gz XQWDDTKODDTUMS-MAUKXSAKSA-N 2 2 347.503 3.122 20 0 EGADLP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC(F)F ZINC000376766313 458386410 /nfs/dbraw/zinc/38/64/10/458386410.db2.gz DGALNYUDZWERSS-UHFFFAOYSA-N 2 2 325.334 3.250 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)C1 ZINC000376803722 458393673 /nfs/dbraw/zinc/39/36/73/458393673.db2.gz HDMSOWUOCXYHQU-BHIYHBOVSA-N 2 2 330.472 3.097 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)C1 ZINC000376803722 458393677 /nfs/dbraw/zinc/39/36/77/458393677.db2.gz HDMSOWUOCXYHQU-BHIYHBOVSA-N 2 2 330.472 3.097 20 0 EGADLP CCOc1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)ccc1O ZINC000459547969 458406568 /nfs/dbraw/zinc/40/65/68/458406568.db2.gz KUKNMQCWQQXTKH-UHFFFAOYSA-N 2 2 332.444 3.338 20 0 EGADLP CCOc1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)ccc1O ZINC000459547969 458406571 /nfs/dbraw/zinc/40/65/71/458406571.db2.gz KUKNMQCWQQXTKH-UHFFFAOYSA-N 2 2 332.444 3.338 20 0 EGADLP CCOc1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)ccc1O ZINC000459547969 458406575 /nfs/dbraw/zinc/40/65/75/458406575.db2.gz KUKNMQCWQQXTKH-UHFFFAOYSA-N 2 2 332.444 3.338 20 0 EGADLP Cc1cc(F)c(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000459560728 458411537 /nfs/dbraw/zinc/41/15/37/458411537.db2.gz NJFBVHDQPKCUNT-UHFFFAOYSA-N 2 2 341.902 3.245 20 0 EGADLP Cc1cc(F)c(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000459560728 458411541 /nfs/dbraw/zinc/41/15/41/458411541.db2.gz NJFBVHDQPKCUNT-UHFFFAOYSA-N 2 2 341.902 3.245 20 0 EGADLP CC(C)C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000373202030 458428083 /nfs/dbraw/zinc/42/80/83/458428083.db2.gz MVSICXTUAOCOFF-UXHICEINSA-N 2 2 331.504 3.229 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430271750 458433097 /nfs/dbraw/zinc/43/30/97/458433097.db2.gz YRAIBTJTQPHTJE-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430271750 458433103 /nfs/dbraw/zinc/43/31/03/458433103.db2.gz YRAIBTJTQPHTJE-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000459655524 458438133 /nfs/dbraw/zinc/43/81/33/458438133.db2.gz IOBIBYKBEYFTQX-AZUAARDMSA-N 2 2 325.431 3.331 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(NCc2ccc(N(C)C(C)C)[nH+]c2)cn1 ZINC000377025865 458444404 /nfs/dbraw/zinc/44/44/04/458444404.db2.gz VDMBTMGVPDHBEX-UHFFFAOYSA-N 2 2 336.443 3.427 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423504022 458445198 /nfs/dbraw/zinc/44/51/98/458445198.db2.gz NGNMZBIRYSHVQF-DNVCBOLYSA-N 2 2 325.456 3.256 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423509767 458447804 /nfs/dbraw/zinc/44/78/04/458447804.db2.gz JGGXMYMBQIDGHY-RTBURBONSA-N 2 2 347.865 3.062 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000423518632 458449943 /nfs/dbraw/zinc/44/99/43/458449943.db2.gz OWCBWIKOHBWUKX-ZIAGYGMSSA-N 2 2 333.476 3.108 20 0 EGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423526945 458450933 /nfs/dbraw/zinc/45/09/33/458450933.db2.gz LXGPEYWLRJRVRA-YTQUADARSA-N 2 2 326.415 3.167 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000423550877 458455741 /nfs/dbraw/zinc/45/57/41/458455741.db2.gz FZWZVHSOADWDGP-QGZVFWFLSA-N 3 2 347.572 3.101 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430552861 458459465 /nfs/dbraw/zinc/45/94/65/458459465.db2.gz BWPZVXHUGINUNR-OXJNMPFZSA-N 2 2 333.520 3.025 20 0 EGADLP C[N@H+](CC(C)(C)C[NH3+])[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000430551761 458459769 /nfs/dbraw/zinc/45/97/69/458459769.db2.gz IMKGJBQRJADBGP-GOSISDBHSA-N 2 2 325.456 3.283 20 0 EGADLP C[N@@H+](CC(C)(C)C[NH3+])[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000430551761 458459771 /nfs/dbraw/zinc/45/97/71/458459771.db2.gz IMKGJBQRJADBGP-GOSISDBHSA-N 2 2 325.456 3.283 20 0 EGADLP CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c1cccc2ccccc21 ZINC000430555580 458460909 /nfs/dbraw/zinc/46/09/09/458460909.db2.gz SLKGCQOIDDLFTO-FQEVSTJZSA-N 2 2 327.472 3.156 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1C[NH3+] ZINC000430557558 458460975 /nfs/dbraw/zinc/46/09/75/458460975.db2.gz SOMUOVDLFLBKDO-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H]1C[NH3+] ZINC000430557558 458460977 /nfs/dbraw/zinc/46/09/77/458460977.db2.gz SOMUOVDLFLBKDO-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573941 458463606 /nfs/dbraw/zinc/46/36/06/458463606.db2.gz RQXAAZVRBUVVQI-QLFBSQMISA-N 2 2 337.895 3.343 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573941 458463612 /nfs/dbraw/zinc/46/36/12/458463612.db2.gz RQXAAZVRBUVVQI-QLFBSQMISA-N 2 2 337.895 3.343 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)c(OC)c1 ZINC000430572502 458463966 /nfs/dbraw/zinc/46/39/66/458463966.db2.gz OMXJJFRKLKOICT-GOSISDBHSA-N 2 2 349.500 3.290 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000430583845 458466145 /nfs/dbraw/zinc/46/61/45/458466145.db2.gz NPAWSECHWQHTKJ-FQEVSTJZSA-N 2 2 341.455 3.380 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604106 458470643 /nfs/dbraw/zinc/47/06/43/458470643.db2.gz LYNDVXFZWDXMQS-VXGBXAGGSA-N 2 2 344.286 3.252 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604106 458470647 /nfs/dbraw/zinc/47/06/47/458470647.db2.gz LYNDVXFZWDXMQS-VXGBXAGGSA-N 2 2 344.286 3.252 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([NH3+])CC2)c1 ZINC000430621541 458471599 /nfs/dbraw/zinc/47/15/99/458471599.db2.gz DMDNXANMNODXKW-FQEVSTJZSA-N 2 2 337.467 3.406 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437767063 458490378 /nfs/dbraw/zinc/49/03/78/458490378.db2.gz WEZOBPIDJPQYBP-DDUZABMNSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437767063 458490381 /nfs/dbraw/zinc/49/03/81/458490381.db2.gz WEZOBPIDJPQYBP-DDUZABMNSA-N 2 2 340.870 3.488 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437799215 458495768 /nfs/dbraw/zinc/49/57/68/458495768.db2.gz VYAYPVMHJSEOQK-AWEZNQCLSA-N 2 2 341.484 3.326 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000437799215 458495771 /nfs/dbraw/zinc/49/57/71/458495771.db2.gz VYAYPVMHJSEOQK-AWEZNQCLSA-N 2 2 341.484 3.326 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437799226 458495973 /nfs/dbraw/zinc/49/59/73/458495973.db2.gz VZRBPNRTGIOLSJ-AWEZNQCLSA-N 2 2 326.419 3.495 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437799226 458495978 /nfs/dbraw/zinc/49/59/78/458495978.db2.gz VZRBPNRTGIOLSJ-AWEZNQCLSA-N 2 2 326.419 3.495 20 0 EGADLP C[C@@]1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC[NH2+]1 ZINC000423845489 458496614 /nfs/dbraw/zinc/49/66/14/458496614.db2.gz NAZPBTWKUBKWBD-FQEVSTJZSA-N 2 2 336.439 3.073 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/C3CCCCC3)CC2)CC1 ZINC000493624749 458516644 /nfs/dbraw/zinc/51/66/44/458516644.db2.gz HVQTVHFXOYTSRE-MDZDMXLPSA-N 2 2 347.547 3.142 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/C3CCCCC3)CC2)CC1 ZINC000493624749 458516654 /nfs/dbraw/zinc/51/66/54/458516654.db2.gz HVQTVHFXOYTSRE-MDZDMXLPSA-N 2 2 347.547 3.142 20 0 EGADLP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000438102126 458531893 /nfs/dbraw/zinc/53/18/93/458531893.db2.gz CZIBPJJSTKYHOM-BBRMVZONSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C[C@@H]1n1cc[nH+]c1 ZINC000438102126 458531900 /nfs/dbraw/zinc/53/19/00/458531900.db2.gz CZIBPJJSTKYHOM-BBRMVZONSA-N 2 2 327.457 3.418 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn3cc(Cl)ccc3n1)CCC2 ZINC000377831421 458545527 /nfs/dbraw/zinc/54/55/27/458545527.db2.gz MOYBZGUXPISIDH-ZDUSSCGKSA-N 2 2 329.835 3.160 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000377887321 458564808 /nfs/dbraw/zinc/56/48/08/458564808.db2.gz DZOMFMRWTMEFEU-ZDUSSCGKSA-N 2 2 347.484 3.149 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(SC)cc1OC ZINC000377887321 458564811 /nfs/dbraw/zinc/56/48/11/458564811.db2.gz DZOMFMRWTMEFEU-ZDUSSCGKSA-N 2 2 347.484 3.149 20 0 EGADLP CC[NH+](CC)[C@@H](CNc1[nH+]c2ccc(F)cc2n1C)c1ccco1 ZINC000431429416 458572937 /nfs/dbraw/zinc/57/29/37/458572937.db2.gz JSPWWALDHFUJEK-INIZCTEOSA-N 2 2 330.407 3.222 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)cc1Cl ZINC000424289096 458604898 /nfs/dbraw/zinc/60/48/98/458604898.db2.gz BHCZGSAROGWRNR-COLVAYQJSA-N 2 2 344.286 3.030 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307530 458612141 /nfs/dbraw/zinc/61/21/41/458612141.db2.gz XQVAKVMXZXRALZ-UYAOXDASSA-N 3 2 347.522 3.312 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307530 458612142 /nfs/dbraw/zinc/61/21/42/458612142.db2.gz XQVAKVMXZXRALZ-UYAOXDASSA-N 3 2 347.522 3.312 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000373818452 458612483 /nfs/dbraw/zinc/61/24/83/458612483.db2.gz MPIDWUHYAACRTO-BMGDILEWSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000373818452 458612487 /nfs/dbraw/zinc/61/24/87/458612487.db2.gz MPIDWUHYAACRTO-BMGDILEWSA-N 2 2 338.879 3.032 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000424329530 458618117 /nfs/dbraw/zinc/61/81/17/458618117.db2.gz GTPHQPZHPHKTIG-IQGAEYHTSA-N 2 2 339.483 3.265 20 0 EGADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000456357973 458644864 /nfs/dbraw/zinc/64/48/64/458644864.db2.gz SRWKYRZITFBRLH-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000456357973 458644867 /nfs/dbraw/zinc/64/48/67/458644867.db2.gz SRWKYRZITFBRLH-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530225083 458723353 /nfs/dbraw/zinc/72/33/53/458723353.db2.gz WNGMAUUQSOZHFD-WMLDXEAASA-N 2 2 330.476 3.152 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530225987 458723959 /nfs/dbraw/zinc/72/39/59/458723959.db2.gz YILOWBOQLBSWCA-DOMZBBRYSA-N 2 2 328.485 3.449 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000471846645 458741480 /nfs/dbraw/zinc/74/14/80/458741480.db2.gz PWFHDQMJZJWQFI-IAGOWNOFSA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000471846645 458741487 /nfs/dbraw/zinc/74/14/87/458741487.db2.gz PWFHDQMJZJWQFI-IAGOWNOFSA-N 2 2 348.441 3.450 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456705840 458758218 /nfs/dbraw/zinc/75/82/18/458758218.db2.gz IRINPNIIYVZFDG-STQMWFEESA-N 2 2 346.475 3.003 20 0 EGADLP C[N@H+](C/C=C/c1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000494975047 458776976 /nfs/dbraw/zinc/77/69/76/458776976.db2.gz NDIADUFULAIEAA-SNAWJCMRSA-N 2 2 336.483 3.129 20 0 EGADLP C[N@@H+](C/C=C/c1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000494975047 458776982 /nfs/dbraw/zinc/77/69/82/458776982.db2.gz NDIADUFULAIEAA-SNAWJCMRSA-N 2 2 336.483 3.129 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CCCC1 ZINC000495084558 458796790 /nfs/dbraw/zinc/79/67/90/458796790.db2.gz MKCWLYNKEGODLB-VQTJNVASSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CCCC1 ZINC000495084558 458796794 /nfs/dbraw/zinc/79/67/94/458796794.db2.gz MKCWLYNKEGODLB-VQTJNVASSA-N 2 2 343.515 3.156 20 0 EGADLP CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000474276403 458874338 /nfs/dbraw/zinc/87/43/38/458874338.db2.gz RCGBYSFPGHVOCX-FQEVSTJZSA-N 2 2 340.467 3.429 20 0 EGADLP CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000474276403 458874341 /nfs/dbraw/zinc/87/43/41/458874341.db2.gz RCGBYSFPGHVOCX-FQEVSTJZSA-N 2 2 340.467 3.429 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000518528148 458875157 /nfs/dbraw/zinc/87/51/57/458875157.db2.gz QRAMSBOCLHHMGN-YJBOKZPZSA-N 2 2 347.503 3.043 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)c[nH+]c12 ZINC000495668669 458913628 /nfs/dbraw/zinc/91/36/28/458913628.db2.gz GXEOSAZTPAUYEP-CQSZACIVSA-N 2 2 332.448 3.036 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000466918173 458934629 /nfs/dbraw/zinc/93/46/29/458934629.db2.gz WCUFJJZVUQIAHV-STZQEDGTSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000466918173 458934632 /nfs/dbraw/zinc/93/46/32/458934632.db2.gz WCUFJJZVUQIAHV-STZQEDGTSA-N 2 2 338.495 3.009 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000556233530 458939441 /nfs/dbraw/zinc/93/94/41/458939441.db2.gz JEHRDZHZTFJHJJ-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000556233530 458939450 /nfs/dbraw/zinc/93/94/50/458939450.db2.gz JEHRDZHZTFJHJJ-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC=CCC2)cc1Cl ZINC000475495124 458947106 /nfs/dbraw/zinc/94/71/06/458947106.db2.gz RNGWJWXHPFMHPH-HNNXBMFYSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC=CCC2)cc1Cl ZINC000475495124 458947108 /nfs/dbraw/zinc/94/71/08/458947108.db2.gz RNGWJWXHPFMHPH-HNNXBMFYSA-N 2 2 335.879 3.217 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000467352043 458969367 /nfs/dbraw/zinc/96/93/67/458969367.db2.gz FAJNHDHRYDYJPJ-GJZGRUSLSA-N 2 2 344.421 3.194 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000566619658 458970803 /nfs/dbraw/zinc/97/08/03/458970803.db2.gz DSUQPMBUVSJCCX-UHFFFAOYSA-N 2 2 325.456 3.207 20 0 EGADLP CC[N@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457500733 458979904 /nfs/dbraw/zinc/97/99/04/458979904.db2.gz CJMBDOWVULGCSW-IBGZPJMESA-N 2 2 346.519 3.027 20 0 EGADLP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457500733 458979909 /nfs/dbraw/zinc/97/99/09/458979909.db2.gz CJMBDOWVULGCSW-IBGZPJMESA-N 2 2 346.519 3.027 20 0 EGADLP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457500733 458979914 /nfs/dbraw/zinc/97/99/14/458979914.db2.gz CJMBDOWVULGCSW-IBGZPJMESA-N 2 2 346.519 3.027 20 0 EGADLP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457500733 458979918 /nfs/dbraw/zinc/97/99/18/458979918.db2.gz CJMBDOWVULGCSW-IBGZPJMESA-N 2 2 346.519 3.027 20 0 EGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO[C@@H]1C1CC1 ZINC000468042709 458998444 /nfs/dbraw/zinc/99/84/44/458998444.db2.gz NHRPEJRPBZZINI-NJDAHSKKSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@]1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO[C@@H]1C1CC1 ZINC000468042709 458998447 /nfs/dbraw/zinc/99/84/47/458998447.db2.gz NHRPEJRPBZZINI-NJDAHSKKSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1sccc1Br)C[NH+]1CCOCC1 ZINC000531976514 459010708 /nfs/dbraw/zinc/01/07/08/459010708.db2.gz SYYBHGWUDVMVMR-VXGBXAGGSA-N 2 2 347.322 3.130 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000577327970 459016460 /nfs/dbraw/zinc/01/64/60/459016460.db2.gz ONAJDIQOIAMPTF-CTNGQTDRSA-N 2 2 347.547 3.078 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000577327970 459016464 /nfs/dbraw/zinc/01/64/64/459016464.db2.gz ONAJDIQOIAMPTF-CTNGQTDRSA-N 2 2 347.547 3.078 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762729 459032869 /nfs/dbraw/zinc/03/28/69/459032869.db2.gz FPLTZQPATRPIAE-IRXDYDNUSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442762729 459032872 /nfs/dbraw/zinc/03/28/72/459032872.db2.gz FPLTZQPATRPIAE-IRXDYDNUSA-N 2 2 329.488 3.021 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059407 459041684 /nfs/dbraw/zinc/04/16/84/459041684.db2.gz XOGYMAVMDQEJSW-MLGOLLRUSA-N 2 2 331.287 3.347 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000567059407 459041687 /nfs/dbraw/zinc/04/16/87/459041687.db2.gz XOGYMAVMDQEJSW-MLGOLLRUSA-N 2 2 331.287 3.347 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]C2CCC(C(F)F)CC2)[N@H+](Cc2ccccc2)C1 ZINC000442814289 459042394 /nfs/dbraw/zinc/04/23/94/459042394.db2.gz CRPCEVLHELOMFZ-ZGUYJTEBSA-N 2 2 338.442 3.035 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]C2CCC(C(F)F)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000442814289 459042400 /nfs/dbraw/zinc/04/24/00/459042400.db2.gz CRPCEVLHELOMFZ-ZGUYJTEBSA-N 2 2 338.442 3.035 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532239850 459051755 /nfs/dbraw/zinc/05/17/55/459051755.db2.gz SSULACBRTXLROU-IRXDYDNUSA-N 2 2 331.504 3.459 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532239850 459051763 /nfs/dbraw/zinc/05/17/63/459051763.db2.gz SSULACBRTXLROU-IRXDYDNUSA-N 2 2 331.504 3.459 20 0 EGADLP CC1(C)CC[N@H+](CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000557482155 459075720 /nfs/dbraw/zinc/07/57/20/459075720.db2.gz YEQJVNGBMRYPKU-UHFFFAOYSA-N 2 2 340.471 3.433 20 0 EGADLP CC1(C)CC[N@@H+](CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000557482155 459075724 /nfs/dbraw/zinc/07/57/24/459075724.db2.gz YEQJVNGBMRYPKU-UHFFFAOYSA-N 2 2 340.471 3.433 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496165812 459094313 /nfs/dbraw/zinc/09/43/13/459094313.db2.gz IEHKAVBRMFEYNI-RDJZCZTQSA-N 2 2 333.476 3.168 20 0 EGADLP FC(F)C(F)(F)COCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520790180 459094633 /nfs/dbraw/zinc/09/46/33/459094633.db2.gz HBKHMHPKYKGATM-HNNXBMFYSA-N 2 2 348.384 3.158 20 0 EGADLP FC(F)C(F)(F)COCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520790180 459094638 /nfs/dbraw/zinc/09/46/38/459094638.db2.gz HBKHMHPKYKGATM-HNNXBMFYSA-N 2 2 348.384 3.158 20 0 EGADLP COc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000532778060 459142402 /nfs/dbraw/zinc/14/24/02/459142402.db2.gz JPNNQXFSSAHQFY-PBHICJAKSA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778060 459142407 /nfs/dbraw/zinc/14/24/07/459142407.db2.gz JPNNQXFSSAHQFY-PBHICJAKSA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778060 459142408 /nfs/dbraw/zinc/14/24/08/459142408.db2.gz JPNNQXFSSAHQFY-PBHICJAKSA-N 2 2 335.879 3.192 20 0 EGADLP c1cc(NCC2CCCCC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000532786122 459144344 /nfs/dbraw/zinc/14/43/44/459144344.db2.gz IHPJQRUSUGRCSG-UHFFFAOYSA-N 2 2 342.487 3.430 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)[C@@H](C)C1 ZINC000479877415 459171140 /nfs/dbraw/zinc/17/11/40/459171140.db2.gz WMSNOIJFZSPOIQ-DZKIICNBSA-N 2 2 341.421 3.214 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)[C@@H](C)C1 ZINC000479877415 459171145 /nfs/dbraw/zinc/17/11/45/459171145.db2.gz WMSNOIJFZSPOIQ-DZKIICNBSA-N 2 2 341.421 3.214 20 0 EGADLP CCc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C(C)C)cc1 ZINC000533012930 459174159 /nfs/dbraw/zinc/17/41/59/459174159.db2.gz JPHBGCSRRLCZEY-SGLNWRHMSA-N 2 2 348.531 3.006 20 0 EGADLP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000521885176 459189281 /nfs/dbraw/zinc/18/92/81/459189281.db2.gz OAZNKEXIMKJWAG-VIFPVBQESA-N 2 2 333.220 3.287 20 0 EGADLP Cc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000480268348 459191200 /nfs/dbraw/zinc/19/12/00/459191200.db2.gz TUWHPENKSVGEHW-LVCYWYKZSA-N 2 2 330.516 3.405 20 0 EGADLP Cc1cccc(C[C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000480268348 459191205 /nfs/dbraw/zinc/19/12/05/459191205.db2.gz TUWHPENKSVGEHW-LVCYWYKZSA-N 2 2 330.516 3.405 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)c2ccccc21 ZINC000568154003 459234007 /nfs/dbraw/zinc/23/40/07/459234007.db2.gz BGNGAPCAPYMXDT-UXHICEINSA-N 2 2 335.451 3.043 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169206 459237496 /nfs/dbraw/zinc/23/74/96/459237496.db2.gz DIKFTEWCFVMTFH-SUMWQHHRSA-N 2 2 336.526 3.070 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169206 459237502 /nfs/dbraw/zinc/23/75/02/459237502.db2.gz DIKFTEWCFVMTFH-SUMWQHHRSA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169206 459237507 /nfs/dbraw/zinc/23/75/07/459237507.db2.gz DIKFTEWCFVMTFH-SUMWQHHRSA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000568169206 459237513 /nfs/dbraw/zinc/23/75/13/459237513.db2.gz DIKFTEWCFVMTFH-SUMWQHHRSA-N 2 2 336.526 3.070 20 0 EGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000568373771 459278059 /nfs/dbraw/zinc/27/80/59/459278059.db2.gz GNJWYYSORNWRQC-BBRMVZONSA-N 2 2 344.286 3.107 20 0 EGADLP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(Cl)c1F ZINC000568375886 459278182 /nfs/dbraw/zinc/27/81/82/459278182.db2.gz VUYSNCQOZNFXMF-OAHLLOKOSA-N 2 2 325.815 3.433 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1SC ZINC000590957352 459281433 /nfs/dbraw/zinc/28/14/33/459281433.db2.gz NHWSDIITQPBWOE-NTDBWNAOSA-N 2 2 345.512 3.203 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082262 459309275 /nfs/dbraw/zinc/30/92/75/459309275.db2.gz MQVYHRZEPUUFFE-IAGOWNOFSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082262 459309283 /nfs/dbraw/zinc/30/92/83/459309283.db2.gz MQVYHRZEPUUFFE-IAGOWNOFSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082571 459309399 /nfs/dbraw/zinc/30/93/99/459309399.db2.gz QAQOSAMQDPRDFW-DLBZAZTESA-N 2 2 326.444 3.164 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000591082571 459309405 /nfs/dbraw/zinc/30/94/05/459309405.db2.gz QAQOSAMQDPRDFW-DLBZAZTESA-N 2 2 326.444 3.164 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc(Cl)c1 ZINC000591082599 459309500 /nfs/dbraw/zinc/30/95/00/459309500.db2.gz RQIQTWQOMLOUAP-INIZCTEOSA-N 2 2 332.835 3.202 20 0 EGADLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc(Cl)c1 ZINC000591082599 459309506 /nfs/dbraw/zinc/30/95/06/459309506.db2.gz RQIQTWQOMLOUAP-INIZCTEOSA-N 2 2 332.835 3.202 20 0 EGADLP O=C(c1ccc2[nH+]ccn2c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523540609 459311929 /nfs/dbraw/zinc/31/19/29/459311929.db2.gz DKWMKWHMHJTMTQ-UHFFFAOYSA-N 2 2 334.423 3.077 20 0 EGADLP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCC[NH2+]1 ZINC000582295455 459341946 /nfs/dbraw/zinc/34/19/46/459341946.db2.gz NHKPMAYRIKNDKG-OXQOHEQNSA-N 2 2 347.466 3.164 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496862598 459350742 /nfs/dbraw/zinc/35/07/42/459350742.db2.gz IUQIHWLFPKXCFI-CPUCHLNUSA-N 2 2 348.491 3.035 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496862598 459350748 /nfs/dbraw/zinc/35/07/48/459350748.db2.gz IUQIHWLFPKXCFI-CPUCHLNUSA-N 2 2 348.491 3.035 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000483471435 459371010 /nfs/dbraw/zinc/37/10/10/459371010.db2.gz ILTVSAPKTWCXGL-QFBILLFUSA-N 2 2 343.515 3.339 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000483471435 459371012 /nfs/dbraw/zinc/37/10/12/459371012.db2.gz ILTVSAPKTWCXGL-QFBILLFUSA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000483471435 459371017 /nfs/dbraw/zinc/37/10/17/459371017.db2.gz ILTVSAPKTWCXGL-QFBILLFUSA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@H]21 ZINC000483471435 459371020 /nfs/dbraw/zinc/37/10/20/459371020.db2.gz ILTVSAPKTWCXGL-QFBILLFUSA-N 2 2 343.515 3.339 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000560575292 459374977 /nfs/dbraw/zinc/37/49/77/459374977.db2.gz WSRGOENBRAJWNI-RMBDZISWSA-N 2 2 336.426 3.480 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000560575292 459374980 /nfs/dbraw/zinc/37/49/80/459374980.db2.gz WSRGOENBRAJWNI-RMBDZISWSA-N 2 2 336.426 3.480 20 0 EGADLP CC(C)OC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000560713515 459390251 /nfs/dbraw/zinc/39/02/51/459390251.db2.gz FVLYHSJFEOWFSU-OAQYLSRUSA-N 2 2 346.515 3.298 20 0 EGADLP CC(C)OC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000560713515 459390259 /nfs/dbraw/zinc/39/02/59/459390259.db2.gz FVLYHSJFEOWFSU-OAQYLSRUSA-N 2 2 346.515 3.298 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000484514896 459416964 /nfs/dbraw/zinc/41/69/64/459416964.db2.gz XTNLUQZUNVMYOS-MKBNYLNASA-N 2 2 338.879 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000484514896 459416970 /nfs/dbraw/zinc/41/69/70/459416970.db2.gz XTNLUQZUNVMYOS-MKBNYLNASA-N 2 2 338.879 3.491 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)c[nH+]1 ZINC000591869332 459459161 /nfs/dbraw/zinc/45/91/61/459459161.db2.gz PVZXSDBJQWVORQ-SFHVURJKSA-N 2 2 347.466 3.395 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)c[nH+]1 ZINC000591869332 459459166 /nfs/dbraw/zinc/45/91/66/459459166.db2.gz PVZXSDBJQWVORQ-SFHVURJKSA-N 2 2 347.466 3.395 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000497171570 459471850 /nfs/dbraw/zinc/47/18/50/459471850.db2.gz IKWDNZLXNYVJFS-UHFFFAOYSA-N 2 2 333.476 3.360 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618067 459482919 /nfs/dbraw/zinc/48/29/19/459482919.db2.gz BUAXXFCLZNGIPO-LPHOPBHVSA-N 2 2 349.478 3.262 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618067 459482927 /nfs/dbraw/zinc/48/29/27/459482927.db2.gz BUAXXFCLZNGIPO-LPHOPBHVSA-N 2 2 349.478 3.262 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccccc1)c1cncnc1)CCC2 ZINC000541734057 459484842 /nfs/dbraw/zinc/48/48/42/459484842.db2.gz LSAHTKXHWMLTIH-HKUYNNGSSA-N 2 2 333.439 3.238 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ncccc1O ZINC000583171867 459493968 /nfs/dbraw/zinc/49/39/68/459493968.db2.gz IWSAZQRZJGITAT-HZPDHXFCSA-N 2 2 325.456 3.033 20 0 EGADLP CC(C)c1[nH+]c(CN2CC[NH+](Cc3ccco3)CC2)c2ccccn21 ZINC000569728264 459501767 /nfs/dbraw/zinc/50/17/67/459501767.db2.gz UHWKESXNTVFBRL-UHFFFAOYSA-N 2 2 338.455 3.369 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1 ZINC000562023136 459504038 /nfs/dbraw/zinc/50/40/38/459504038.db2.gz WHMCVZOVMVLMHT-SJORKVTESA-N 2 2 327.472 3.473 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000583467842 459543059 /nfs/dbraw/zinc/54/30/59/459543059.db2.gz XCXJYBZVUAMPLT-XUJQIHCRSA-N 2 2 338.442 3.157 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)C1 ZINC000583467842 459543065 /nfs/dbraw/zinc/54/30/65/459543065.db2.gz XCXJYBZVUAMPLT-XUJQIHCRSA-N 2 2 338.442 3.157 20 0 EGADLP CC[NH+]1C[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000583588908 459562185 /nfs/dbraw/zinc/56/21/85/459562185.db2.gz USYHILFMMPBKGH-HOTGVXAUSA-N 2 2 339.439 3.429 20 0 EGADLP C[C@H](CCNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000562612730 459601092 /nfs/dbraw/zinc/60/10/92/459601092.db2.gz HSQKKPXTFFHDKY-YLJYHZDGSA-N 2 2 338.499 3.250 20 0 EGADLP Cc1cc(Cl)cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000573090560 459624476 /nfs/dbraw/zinc/62/44/76/459624476.db2.gz MBFIACCLMJOADV-SFHVURJKSA-N 2 2 344.890 3.218 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000573138421 459632403 /nfs/dbraw/zinc/63/24/03/459632403.db2.gz KVACVTYMPLYJOQ-QGZVFWFLSA-N 2 2 337.552 3.124 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499704490 459648644 /nfs/dbraw/zinc/64/86/44/459648644.db2.gz IBMLYWSJGJSTDG-QIJUGHKUSA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499704490 459648648 /nfs/dbraw/zinc/64/86/48/459648648.db2.gz IBMLYWSJGJSTDG-QIJUGHKUSA-N 2 2 338.495 3.497 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)[N@H+](Cc2ccccc2)C1 ZINC000527523716 459654858 /nfs/dbraw/zinc/65/48/58/459654858.db2.gz SAKNDWSNQXVUSP-MOPGFXCFSA-N 2 2 346.421 3.349 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000584166913 459670403 /nfs/dbraw/zinc/67/04/03/459670403.db2.gz PQDWBNCGDBWCNY-GUDVDZBRSA-N 2 2 336.414 3.383 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000584182185 459675552 /nfs/dbraw/zinc/67/55/52/459675552.db2.gz TVURFHXQDOABJV-UHFFFAOYSA-N 2 2 342.487 3.371 20 0 EGADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000562949890 459678701 /nfs/dbraw/zinc/67/87/01/459678701.db2.gz BDCLEUCMRDXWLB-HNNXBMFYSA-N 2 2 346.519 3.189 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000527672229 459693358 /nfs/dbraw/zinc/69/33/58/459693358.db2.gz FDFKSAXAHDWOQV-BDJLRTHQSA-N 2 2 328.378 3.286 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc(C(F)(F)F)c1 ZINC000527672229 459693365 /nfs/dbraw/zinc/69/33/65/459693365.db2.gz FDFKSAXAHDWOQV-BDJLRTHQSA-N 2 2 328.378 3.286 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c(C)[nH+]1 ZINC000584458094 459742990 /nfs/dbraw/zinc/74/29/90/459742990.db2.gz MUUHFXNWZVGUQS-IRXDYDNUSA-N 2 2 330.476 3.393 20 0 EGADLP Fc1ccc(C[NH+]2CCC(Nc3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000563310111 459761381 /nfs/dbraw/zinc/76/13/81/459761381.db2.gz XRJUINSLIALUER-UHFFFAOYSA-N 2 2 341.434 3.267 20 0 EGADLP Fc1ccc(C[NH+]2CCC(Nc3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000563310111 459761385 /nfs/dbraw/zinc/76/13/85/459761385.db2.gz XRJUINSLIALUER-UHFFFAOYSA-N 2 2 341.434 3.267 20 0 EGADLP C[NH+]1CCC(C(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)CC1 ZINC000574314510 459805086 /nfs/dbraw/zinc/80/50/86/459805086.db2.gz ZPYBZVARCRGUNV-UHFFFAOYSA-N 2 2 348.450 3.434 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000566108857 459806632 /nfs/dbraw/zinc/80/66/32/459806632.db2.gz GKYHXSPNLFLMII-HZPDHXFCSA-N 2 2 330.394 3.035 20 0 EGADLP c1ccc(CSCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585717030 459836488 /nfs/dbraw/zinc/83/64/88/459836488.db2.gz VTBJYVCHEWCLSG-HXUWFJFHSA-N 2 2 348.556 3.497 20 0 EGADLP c1ccc(CSCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585717030 459836494 /nfs/dbraw/zinc/83/64/94/459836494.db2.gz VTBJYVCHEWCLSG-HXUWFJFHSA-N 2 2 348.556 3.497 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCSc2ccccc21 ZINC000588689442 459970035 /nfs/dbraw/zinc/97/00/35/459970035.db2.gz ZLAVFCJBJZPQAT-MJGOQNOKSA-N 2 2 342.508 3.306 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCSc2ccccc21 ZINC000588689442 459970041 /nfs/dbraw/zinc/97/00/41/459970041.db2.gz ZLAVFCJBJZPQAT-MJGOQNOKSA-N 2 2 342.508 3.306 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000589640869 460119699 /nfs/dbraw/zinc/11/96/99/460119699.db2.gz DCBTZYZPGVVRNF-UHFFFAOYSA-N 2 2 334.467 3.360 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000599020822 460129571 /nfs/dbraw/zinc/12/95/71/460129571.db2.gz YBNCRDAWZPROSG-UUKMXZOPSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000599020822 460129577 /nfs/dbraw/zinc/12/95/77/460129577.db2.gz YBNCRDAWZPROSG-UUKMXZOPSA-N 2 2 344.499 3.363 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000599395098 460246149 /nfs/dbraw/zinc/24/61/49/460246149.db2.gz RVRJMOHQEKJBSR-SFHVURJKSA-N 2 2 340.471 3.478 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000599395098 460246153 /nfs/dbraw/zinc/24/61/53/460246153.db2.gz RVRJMOHQEKJBSR-SFHVURJKSA-N 2 2 340.471 3.478 20 0 EGADLP CCO[C@@H](C)c1noc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062275 460358928 /nfs/dbraw/zinc/35/89/28/460358928.db2.gz NOWSBJIXCMNSFB-HNNXBMFYSA-N 2 2 346.475 3.251 20 0 EGADLP CCO[C@@H](C)c1noc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062275 460358935 /nfs/dbraw/zinc/35/89/35/460358935.db2.gz NOWSBJIXCMNSFB-HNNXBMFYSA-N 2 2 346.475 3.251 20 0 EGADLP COc1cc(C)c(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1OC ZINC000623088875 460408491 /nfs/dbraw/zinc/40/84/91/460408491.db2.gz IXIFHBNURQWHPK-UHFFFAOYSA-N 2 2 342.430 3.079 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000619822261 460450918 /nfs/dbraw/zinc/45/09/18/460450918.db2.gz MWJGUYHIOGVJNF-PWIZWCRZSA-N 2 2 342.483 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000619822261 460450923 /nfs/dbraw/zinc/45/09/23/460450923.db2.gz MWJGUYHIOGVJNF-PWIZWCRZSA-N 2 2 342.483 3.242 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000631663581 460498431 /nfs/dbraw/zinc/49/84/31/460498431.db2.gz JPDRYYSNACKTQT-NSISKUIASA-N 2 2 338.499 3.229 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000631663581 460498438 /nfs/dbraw/zinc/49/84/38/460498438.db2.gz JPDRYYSNACKTQT-NSISKUIASA-N 2 2 338.499 3.229 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732899 460498628 /nfs/dbraw/zinc/49/86/28/460498628.db2.gz ROYXACQBVCQOKM-HOJAQTOUSA-N 3 2 329.532 3.407 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732899 460498631 /nfs/dbraw/zinc/49/86/31/460498631.db2.gz ROYXACQBVCQOKM-HOJAQTOUSA-N 3 2 329.532 3.407 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000631665796 460499081 /nfs/dbraw/zinc/49/90/81/460499081.db2.gz XZBMJNGPHSXVPZ-NEWSRXKRSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000631665796 460499089 /nfs/dbraw/zinc/49/90/89/460499089.db2.gz XZBMJNGPHSXVPZ-NEWSRXKRSA-N 2 2 326.488 3.229 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1C(F)(F)F ZINC000629652706 460847959 /nfs/dbraw/zinc/84/79/59/460847959.db2.gz AOMTVMCKOSXUQK-WCQYABFASA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@H]1C(F)(F)F ZINC000629652706 460847964 /nfs/dbraw/zinc/84/79/64/460847964.db2.gz AOMTVMCKOSXUQK-WCQYABFASA-N 2 2 344.406 3.097 20 0 EGADLP CC1(C)Cc2cccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)c2O1 ZINC000629657316 460850808 /nfs/dbraw/zinc/85/08/08/460850808.db2.gz WMUSEFCXSHRFDJ-HUUCEWRRSA-N 2 2 342.405 3.359 20 0 EGADLP CC1(C)Cc2cccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)c2O1 ZINC000629657316 460850809 /nfs/dbraw/zinc/85/08/09/460850809.db2.gz WMUSEFCXSHRFDJ-HUUCEWRRSA-N 2 2 342.405 3.359 20 0 EGADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086766 460851734 /nfs/dbraw/zinc/85/17/34/460851734.db2.gz VKOPYCLWQUYBEC-FCEWJHQRSA-N 2 2 331.504 3.191 20 0 EGADLP CC[C@H](C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624086766 460851738 /nfs/dbraw/zinc/85/17/38/460851738.db2.gz VKOPYCLWQUYBEC-FCEWJHQRSA-N 2 2 331.504 3.191 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624094342 460856088 /nfs/dbraw/zinc/85/60/88/460856088.db2.gz CDCHVFSBFUGLQI-RHSMWYFYSA-N 2 2 334.414 3.252 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702879 460875133 /nfs/dbraw/zinc/87/51/33/460875133.db2.gz VRFAMEZJOUYDBQ-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702879 460875137 /nfs/dbraw/zinc/87/51/37/460875137.db2.gz VRFAMEZJOUYDBQ-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000629731195 460893907 /nfs/dbraw/zinc/89/39/07/460893907.db2.gz GLMIRAGWRUCQFT-FQEVSTJZSA-N 2 2 337.398 3.398 20 0 EGADLP Cc1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000621154514 460917646 /nfs/dbraw/zinc/91/76/46/460917646.db2.gz MPXROAZYHAKGIX-GOSISDBHSA-N 2 2 339.439 3.252 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624333172 460963670 /nfs/dbraw/zinc/96/36/70/460963670.db2.gz KSDSQGQPVFEUPH-WMZOPIPTSA-N 2 2 326.440 3.196 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624333172 460963679 /nfs/dbraw/zinc/96/36/79/460963679.db2.gz KSDSQGQPVFEUPH-WMZOPIPTSA-N 2 2 326.440 3.196 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)n1C ZINC000602007282 460985976 /nfs/dbraw/zinc/98/59/76/460985976.db2.gz NCCKWQBXWBITJS-OAHLLOKOSA-N 2 2 343.471 3.031 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C)c(Br)cn2)CC1 ZINC000628148954 461018254 /nfs/dbraw/zinc/01/82/54/461018254.db2.gz GUXIOGWUVAPEJT-UHFFFAOYSA-N 2 2 340.309 3.459 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(Br)cn2)CC1 ZINC000628148954 461018255 /nfs/dbraw/zinc/01/82/55/461018255.db2.gz GUXIOGWUVAPEJT-UHFFFAOYSA-N 2 2 340.309 3.459 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1CC[NH3+] ZINC000652353616 461146235 /nfs/dbraw/zinc/14/62/35/461146235.db2.gz VABOAXPHEGIDMH-MAUKXSAKSA-N 2 2 331.504 3.372 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@@H]1CC[NH3+] ZINC000652353616 461146241 /nfs/dbraw/zinc/14/62/41/461146241.db2.gz VABOAXPHEGIDMH-MAUKXSAKSA-N 2 2 331.504 3.372 20 0 EGADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)ccc1C ZINC000652356129 461149465 /nfs/dbraw/zinc/14/94/65/461149465.db2.gz SRSHBABBFROTLJ-BBRMVZONSA-N 2 2 344.459 3.003 20 0 EGADLP COc1cc(-c2noc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)ccc1C ZINC000652356129 461149475 /nfs/dbraw/zinc/14/94/75/461149475.db2.gz SRSHBABBFROTLJ-BBRMVZONSA-N 2 2 344.459 3.003 20 0 EGADLP Brc1c2ccccc2oc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266603 461152873 /nfs/dbraw/zinc/15/28/73/461152873.db2.gz NMXWMMQYIFXVQV-MRXNPFEDSA-N 2 2 335.245 3.381 20 0 EGADLP Brc1c2ccccc2oc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662266603 461152883 /nfs/dbraw/zinc/15/28/83/461152883.db2.gz NMXWMMQYIFXVQV-MRXNPFEDSA-N 2 2 335.245 3.381 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364120 461158133 /nfs/dbraw/zinc/15/81/33/461158133.db2.gz YSGONTKKXGCKCY-IJLUTSLNSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nc(C(F)(F)F)cs2)C1 ZINC000652364120 461158136 /nfs/dbraw/zinc/15/81/36/461158136.db2.gz YSGONTKKXGCKCY-IJLUTSLNSA-N 2 2 349.422 3.023 20 0 EGADLP Fc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277125 461160576 /nfs/dbraw/zinc/16/05/76/461160576.db2.gz ROLFJJOYSZMYSJ-SWLSCSKDSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277125 461160585 /nfs/dbraw/zinc/16/05/85/461160585.db2.gz ROLFJJOYSZMYSJ-SWLSCSKDSA-N 2 2 328.378 3.391 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000649593843 461202435 /nfs/dbraw/zinc/20/24/35/461202435.db2.gz CPBWVVKXAOBABA-MRXNPFEDSA-N 2 2 342.405 3.395 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000649593843 461202448 /nfs/dbraw/zinc/20/24/48/461202448.db2.gz CPBWVVKXAOBABA-MRXNPFEDSA-N 2 2 342.405 3.395 20 0 EGADLP CC[C@H](OCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649600573 461208488 /nfs/dbraw/zinc/20/84/88/461208488.db2.gz MCZMMWOCFKKTDV-CTNGQTDRSA-N 2 2 346.515 3.199 20 0 EGADLP CC[C@H](OCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649600573 461208500 /nfs/dbraw/zinc/20/85/00/461208500.db2.gz MCZMMWOCFKKTDV-CTNGQTDRSA-N 2 2 346.515 3.199 20 0 EGADLP CCc1csc(CC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)n1 ZINC000668296388 461232876 /nfs/dbraw/zinc/23/28/76/461232876.db2.gz NWQVLMGGJBLHJO-UHFFFAOYSA-N 2 2 330.501 3.303 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519522 461314069 /nfs/dbraw/zinc/31/40/69/461314069.db2.gz XYACPWZQCRSPSA-XLIONFOSSA-N 2 2 342.487 3.031 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519522 461314073 /nfs/dbraw/zinc/31/40/73/461314073.db2.gz XYACPWZQCRSPSA-XLIONFOSSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519522 461314078 /nfs/dbraw/zinc/31/40/78/461314078.db2.gz XYACPWZQCRSPSA-XLIONFOSSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(O)cc2)[C@H]1c1cnn(C)c1 ZINC000668519522 461314083 /nfs/dbraw/zinc/31/40/83/461314083.db2.gz XYACPWZQCRSPSA-XLIONFOSSA-N 2 2 342.487 3.031 20 0 EGADLP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000662660752 461340320 /nfs/dbraw/zinc/34/03/20/461340320.db2.gz GGCQXQFMAJCBCO-KRWDZBQOSA-N 2 2 326.444 3.089 20 0 EGADLP Cc1[nH]c(CNc2[nH+]c3ccccc3n2CCc2ccccn2)[nH+]c1C ZINC000641779300 461369854 /nfs/dbraw/zinc/36/98/54/461369854.db2.gz FLJSHIOSFSPSOS-UHFFFAOYSA-N 2 2 346.438 3.048 20 0 EGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719594 461388828 /nfs/dbraw/zinc/38/88/28/461388828.db2.gz XHMCEGNBUWLXIV-VQTJNVASSA-N 2 2 334.479 3.236 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655721387 461391314 /nfs/dbraw/zinc/39/13/14/461391314.db2.gz OMJYRYDVTJIJBL-KKVAFCGZSA-N 2 2 332.463 3.292 20 0 EGADLP CC(C)c1sc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1-c1ccccc1 ZINC000653066535 461484546 /nfs/dbraw/zinc/48/45/46/461484546.db2.gz WLULTPPHVWKREI-AWEZNQCLSA-N 2 2 346.500 3.151 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000631035234 461486356 /nfs/dbraw/zinc/48/63/56/461486356.db2.gz LHFIPKQASJLCPV-UHFFFAOYSA-N 2 2 345.256 3.171 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655848378 461496174 /nfs/dbraw/zinc/49/61/74/461496174.db2.gz IIQYDJAAEHQRNK-ZYSHUDEJSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655848378 461496177 /nfs/dbraw/zinc/49/61/77/461496177.db2.gz IIQYDJAAEHQRNK-ZYSHUDEJSA-N 2 2 345.487 3.019 20 0 EGADLP CO[C@@H](C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000638601716 461499730 /nfs/dbraw/zinc/49/97/30/461499730.db2.gz OMRVCZWXQPDNSM-LPHOPBHVSA-N 2 2 334.504 3.147 20 0 EGADLP Fc1ccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000659948274 461511612 /nfs/dbraw/zinc/51/16/12/461511612.db2.gz QKKURGFWRNPYAJ-AWEZNQCLSA-N 2 2 326.456 3.475 20 0 EGADLP Fc1ccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000659948274 461511632 /nfs/dbraw/zinc/51/16/32/461511632.db2.gz QKKURGFWRNPYAJ-AWEZNQCLSA-N 2 2 326.456 3.475 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638788734 461577811 /nfs/dbraw/zinc/57/78/11/461577811.db2.gz RRHHPXJSXJTSHE-AWEZNQCLSA-N 2 2 328.435 3.118 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000663365207 461593568 /nfs/dbraw/zinc/59/35/68/461593568.db2.gz OILMEEVULWHAHR-OAHLLOKOSA-N 2 2 343.393 3.108 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000663365207 461593574 /nfs/dbraw/zinc/59/35/74/461593574.db2.gz OILMEEVULWHAHR-OAHLLOKOSA-N 2 2 343.393 3.108 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCN(c4ccccc4)CC3)cn21 ZINC000647263116 461600220 /nfs/dbraw/zinc/60/02/20/461600220.db2.gz JZGKZFCCICTYFP-UHFFFAOYSA-N 2 2 334.467 3.444 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470639 461659385 /nfs/dbraw/zinc/65/93/85/461659385.db2.gz VVLDWRCNXIKSPA-NVXWUHKLSA-N 2 2 326.488 3.346 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470639 461659392 /nfs/dbraw/zinc/65/93/92/461659392.db2.gz VVLDWRCNXIKSPA-NVXWUHKLSA-N 2 2 326.488 3.346 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656253164 461676066 /nfs/dbraw/zinc/67/60/66/461676066.db2.gz JIQZSEKLYTWCDW-QGZVFWFLSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656253164 461676071 /nfs/dbraw/zinc/67/60/71/461676071.db2.gz JIQZSEKLYTWCDW-QGZVFWFLSA-N 2 2 342.462 3.238 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC000663509179 461679091 /nfs/dbraw/zinc/67/90/91/461679091.db2.gz HVFXDECHYSHPQN-CQSZACIVSA-N 2 2 330.428 3.194 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000663510410 461679599 /nfs/dbraw/zinc/67/95/99/461679599.db2.gz PIXSYTWUBJEXAQ-CABZTGNLSA-N 2 2 344.299 3.256 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482642 461729663 /nfs/dbraw/zinc/72/96/63/461729663.db2.gz VIAZKKFCRZQJOK-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647482642 461729674 /nfs/dbraw/zinc/72/96/74/461729674.db2.gz VIAZKKFCRZQJOK-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP COc1sc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482669 461730172 /nfs/dbraw/zinc/73/01/72/461730172.db2.gz XCDUZZNFLLKLDV-UHFFFAOYSA-N 2 2 345.306 3.236 20 0 EGADLP COc1sc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482669 461730178 /nfs/dbraw/zinc/73/01/78/461730178.db2.gz XCDUZZNFLLKLDV-UHFFFAOYSA-N 2 2 345.306 3.236 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483858 461731758 /nfs/dbraw/zinc/73/17/58/461731758.db2.gz XOUJNYCOBDFPER-KDOFPFPSSA-N 2 2 332.879 3.287 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483858 461731764 /nfs/dbraw/zinc/73/17/64/461731764.db2.gz XOUJNYCOBDFPER-KDOFPFPSSA-N 2 2 332.879 3.287 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000643456739 461733128 /nfs/dbraw/zinc/73/31/28/461733128.db2.gz UBIAHHUUOITFQS-LKUPVBHCSA-N 2 2 340.467 3.141 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@@H]1C[NH3+] ZINC000647496800 461734641 /nfs/dbraw/zinc/73/46/41/461734641.db2.gz UFAJGJTWCWPOJX-KBXCAEBGSA-N 2 2 332.879 3.144 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@@H]1C[NH3+] ZINC000647496800 461734654 /nfs/dbraw/zinc/73/46/54/461734654.db2.gz UFAJGJTWCWPOJX-KBXCAEBGSA-N 2 2 332.879 3.144 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000639113995 461736906 /nfs/dbraw/zinc/73/69/06/461736906.db2.gz BTTQYEZPJWQCPH-AEFFLSMTSA-N 2 2 340.423 3.239 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000639113995 461736908 /nfs/dbraw/zinc/73/69/08/461736908.db2.gz BTTQYEZPJWQCPH-AEFFLSMTSA-N 2 2 340.423 3.239 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480209 461740216 /nfs/dbraw/zinc/74/02/16/461740216.db2.gz FTOPEMDQMNLFQY-RKFFNLMFSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480209 461740224 /nfs/dbraw/zinc/74/02/24/461740224.db2.gz FTOPEMDQMNLFQY-RKFFNLMFSA-N 3 2 327.516 3.017 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647506934 461740185 /nfs/dbraw/zinc/74/01/85/461740185.db2.gz GGQJNDCAOZOMSS-QRWLVFNGSA-N 2 2 328.456 3.175 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647506934 461740189 /nfs/dbraw/zinc/74/01/89/461740189.db2.gz GGQJNDCAOZOMSS-QRWLVFNGSA-N 2 2 328.456 3.175 20 0 EGADLP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)[C@@H]2CCCO2)cc1 ZINC000643505775 461749241 /nfs/dbraw/zinc/74/92/41/461749241.db2.gz KJVDAWGDBVMHAT-PMPSAXMXSA-N 2 2 339.277 3.011 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475649 461801527 /nfs/dbraw/zinc/80/15/27/461801527.db2.gz UFIIVPCSXXHNKA-LJQANCHMSA-N 2 2 345.531 3.454 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475649 461801531 /nfs/dbraw/zinc/80/15/31/461801531.db2.gz UFIIVPCSXXHNKA-LJQANCHMSA-N 2 2 345.531 3.454 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)C ZINC000639207217 461804033 /nfs/dbraw/zinc/80/40/33/461804033.db2.gz ZHNREDQYWLUJCN-IHPCNDPISA-N 2 2 343.515 3.105 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)C ZINC000639207217 461804037 /nfs/dbraw/zinc/80/40/37/461804037.db2.gz ZHNREDQYWLUJCN-IHPCNDPISA-N 2 2 343.515 3.105 20 0 EGADLP CCC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)OC ZINC000639230911 461816942 /nfs/dbraw/zinc/81/69/42/461816942.db2.gz HFAKYHWWNWFADP-HXUWFJFHSA-N 2 2 347.503 3.014 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CS[C@@H](C)C3)CC2)cc1 ZINC000639231603 461817527 /nfs/dbraw/zinc/81/75/27/461817527.db2.gz QBLJBYNENSTLSI-LIRRHRJNSA-N 2 2 347.528 3.093 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883437 461825623 /nfs/dbraw/zinc/82/56/23/461825623.db2.gz QCVBISLMWASRSV-ORQFMDKSSA-N 2 2 344.421 3.359 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883437 461825624 /nfs/dbraw/zinc/82/56/24/461825624.db2.gz QCVBISLMWASRSV-ORQFMDKSSA-N 2 2 344.421 3.359 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000669934883 461843315 /nfs/dbraw/zinc/84/33/15/461843315.db2.gz XAPNLGZRFQXAGE-HOJAQTOUSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000669934883 461843317 /nfs/dbraw/zinc/84/33/17/461843317.db2.gz XAPNLGZRFQXAGE-HOJAQTOUSA-N 2 2 343.515 3.373 20 0 EGADLP CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000669948428 461850044 /nfs/dbraw/zinc/85/00/44/461850044.db2.gz AISCKDMKGSOBBY-INIZCTEOSA-N 2 2 339.439 3.477 20 0 EGADLP Cc1cc(N2CCN(c3[nH+]ccc4[nH]ccc43)CC2)nc(C(C)C)[nH+]1 ZINC000647851304 461859965 /nfs/dbraw/zinc/85/99/65/461859965.db2.gz SJJBFZHYWXTNJU-UHFFFAOYSA-N 2 2 336.443 3.111 20 0 EGADLP CCOc1cc(C[N@H+](C)CC(C)(C)[NH3+])cc(Br)c1OC ZINC000656784176 461894659 /nfs/dbraw/zinc/89/46/59/461894659.db2.gz ZHQZSXOLRPRMMB-UHFFFAOYSA-N 2 2 345.281 3.026 20 0 EGADLP CCOc1cc(C[N@@H+](C)CC(C)(C)[NH3+])cc(Br)c1OC ZINC000656784176 461894668 /nfs/dbraw/zinc/89/46/68/461894668.db2.gz ZHQZSXOLRPRMMB-UHFFFAOYSA-N 2 2 345.281 3.026 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cccc3c2CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000650704043 461897831 /nfs/dbraw/zinc/89/78/31/461897831.db2.gz DHRRNOCFQIQOOT-UHFFFAOYSA-N 3 2 349.522 3.258 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788762 461898564 /nfs/dbraw/zinc/89/85/64/461898564.db2.gz FNAOGDDMEDXFND-UYAOXDASSA-N 2 2 340.515 3.490 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651787 461903439 /nfs/dbraw/zinc/90/34/39/461903439.db2.gz CHQMFRSHQYSJHQ-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651787 461903441 /nfs/dbraw/zinc/90/34/41/461903441.db2.gz CHQMFRSHQYSJHQ-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651787 461903462 /nfs/dbraw/zinc/90/34/62/461903462.db2.gz CHQMFRSHQYSJHQ-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000660651787 461903466 /nfs/dbraw/zinc/90/34/66/461903466.db2.gz CHQMFRSHQYSJHQ-SFHVURJKSA-N 2 2 336.863 3.029 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)cc1 ZINC000650708552 461903813 /nfs/dbraw/zinc/90/38/13/461903813.db2.gz DFHRRBFLODZMRY-KXBFYZLASA-N 2 2 343.496 3.380 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)cc1 ZINC000650708552 461903818 /nfs/dbraw/zinc/90/38/18/461903818.db2.gz DFHRRBFLODZMRY-KXBFYZLASA-N 2 2 343.496 3.380 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970138 461914377 /nfs/dbraw/zinc/91/43/77/461914377.db2.gz DYFXRPSUQVATBZ-HUUCEWRRSA-N 2 2 336.373 3.110 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970138 461914381 /nfs/dbraw/zinc/91/43/81/461914381.db2.gz DYFXRPSUQVATBZ-HUUCEWRRSA-N 2 2 336.373 3.110 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650741113 461927830 /nfs/dbraw/zinc/92/78/30/461927830.db2.gz YEUBNNOGKRTDFD-WBVHZDCISA-N 2 2 344.430 3.475 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)c1 ZINC000639476146 461945332 /nfs/dbraw/zinc/94/53/32/461945332.db2.gz AQFQXTDVORQBFL-KRWDZBQOSA-N 2 2 338.411 3.384 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)co2)c1 ZINC000639476146 461945337 /nfs/dbraw/zinc/94/53/37/461945337.db2.gz AQFQXTDVORQBFL-KRWDZBQOSA-N 2 2 338.411 3.384 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)n1-c1ccccc1 ZINC000644420766 461951215 /nfs/dbraw/zinc/95/12/15/461951215.db2.gz CSOTZAZMDIVLEF-BBRMVZONSA-N 2 2 339.361 3.116 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518346 461967235 /nfs/dbraw/zinc/96/72/35/461967235.db2.gz FETQPVQPZKWONB-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518346 461967240 /nfs/dbraw/zinc/96/72/40/461967240.db2.gz FETQPVQPZKWONB-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)co2)c1 ZINC000639518346 461967242 /nfs/dbraw/zinc/96/72/42/461967242.db2.gz FETQPVQPZKWONB-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)co2)c1 ZINC000639518346 461967246 /nfs/dbraw/zinc/96/72/46/461967246.db2.gz FETQPVQPZKWONB-VQIMIIECSA-N 2 2 341.455 3.266 20 0 EGADLP CC(C)Oc1ccccc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644526250 461970886 /nfs/dbraw/zinc/97/08/86/461970886.db2.gz PPKYSTSACZCNBA-FQEVSTJZSA-N 2 2 342.483 3.056 20 0 EGADLP CC(C)Oc1ccccc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644526250 461970890 /nfs/dbraw/zinc/97/08/90/461970890.db2.gz PPKYSTSACZCNBA-FQEVSTJZSA-N 2 2 342.483 3.056 20 0 EGADLP Cc1nnc([C@@H](C)[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000660853681 461997404 /nfs/dbraw/zinc/99/74/04/461997404.db2.gz FGNRNZNUHMYRLM-GFCCVEGCSA-N 2 2 325.416 3.270 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2sccc2c1 ZINC000644649706 462022820 /nfs/dbraw/zinc/02/28/20/462022820.db2.gz GHSUAXYTXALZBA-LJQANCHMSA-N 2 2 340.492 3.484 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2sccc2c1 ZINC000644649706 462022826 /nfs/dbraw/zinc/02/28/26/462022826.db2.gz GHSUAXYTXALZBA-LJQANCHMSA-N 2 2 340.492 3.484 20 0 EGADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc2c(c1)OCCO2 ZINC000657294615 462024059 /nfs/dbraw/zinc/02/40/59/462024059.db2.gz SQAOUOBCLIKGEE-IBGZPJMESA-N 2 2 327.428 3.087 20 0 EGADLP Clc1cccc([C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)N2CCCC2)c1 ZINC000657309110 462032945 /nfs/dbraw/zinc/03/29/45/462032945.db2.gz JEJTULTWEZQNSQ-SFHVURJKSA-N 2 2 344.890 3.409 20 0 EGADLP Cc1[nH]c(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)[nH+]c1C ZINC000657405979 462102325 /nfs/dbraw/zinc/10/23/25/462102325.db2.gz YVWGAZFZIFDUQA-ZIAGYGMSSA-N 2 2 328.460 3.248 20 0 EGADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000644901346 462124596 /nfs/dbraw/zinc/12/45/96/462124596.db2.gz BKLDRCPEINKQHG-KRWDZBQOSA-N 2 2 328.460 3.222 20 0 EGADLP COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000644901346 462124600 /nfs/dbraw/zinc/12/46/00/462124600.db2.gz BKLDRCPEINKQHG-KRWDZBQOSA-N 2 2 328.460 3.222 20 0 EGADLP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000657439800 462125503 /nfs/dbraw/zinc/12/55/03/462125503.db2.gz HLLAGMHWPTWBHC-MRXNPFEDSA-N 2 2 338.386 3.314 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n(CC2CC2)n1 ZINC000667593340 462163434 /nfs/dbraw/zinc/16/34/34/462163434.db2.gz YNDLNZWXEGLEFP-LJQANCHMSA-N 2 2 330.520 3.381 20 0 EGADLP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n(CC2CC2)n1 ZINC000667593340 462163439 /nfs/dbraw/zinc/16/34/39/462163439.db2.gz YNDLNZWXEGLEFP-LJQANCHMSA-N 2 2 330.520 3.381 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667628427 462181810 /nfs/dbraw/zinc/18/18/10/462181810.db2.gz FFQSKDMPRLLGSE-INIZCTEOSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000667628427 462181814 /nfs/dbraw/zinc/18/18/14/462181814.db2.gz FFQSKDMPRLLGSE-INIZCTEOSA-N 2 2 329.419 3.397 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983070 462203241 /nfs/dbraw/zinc/20/32/41/462203241.db2.gz NZVODZYWICNNMH-ZWKOTPCHSA-N 2 2 343.515 3.203 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988390 462206777 /nfs/dbraw/zinc/20/67/77/462206777.db2.gz QSQPHEYIXFBGFP-SFHVURJKSA-N 2 2 335.536 3.118 20 0 EGADLP CCN(Cc1c[nH+]c2n1CCC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684261 462212778 /nfs/dbraw/zinc/21/27/78/462212778.db2.gz PNXPPZNLVQUDOF-IBGZPJMESA-N 2 2 338.499 3.173 20 0 EGADLP CCN(Cc1c[nH+]c2n1CCC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684261 462212783 /nfs/dbraw/zinc/21/27/83/462212783.db2.gz PNXPPZNLVQUDOF-IBGZPJMESA-N 2 2 338.499 3.173 20 0 EGADLP CC[N@@H+](Cc1cnc2n1CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684261 462212790 /nfs/dbraw/zinc/21/27/90/462212790.db2.gz PNXPPZNLVQUDOF-IBGZPJMESA-N 2 2 338.499 3.173 20 0 EGADLP CC[N@H+](Cc1cnc2n1CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684261 462212794 /nfs/dbraw/zinc/21/27/94/462212794.db2.gz PNXPPZNLVQUDOF-IBGZPJMESA-N 2 2 338.499 3.173 20 0 EGADLP CC[NH+](Cc1cnc2n1CCC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684261 462212800 /nfs/dbraw/zinc/21/28/00/462212800.db2.gz PNXPPZNLVQUDOF-IBGZPJMESA-N 2 2 338.499 3.173 20 0 EGADLP CC[NH+](Cc1cnc2n1CCC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684261 462212803 /nfs/dbraw/zinc/21/28/03/462212803.db2.gz PNXPPZNLVQUDOF-IBGZPJMESA-N 2 2 338.499 3.173 20 0 EGADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687854 462214537 /nfs/dbraw/zinc/21/45/37/462214537.db2.gz ZFXVOUUTGLQMTH-LJQANCHMSA-N 2 2 325.456 3.053 20 0 EGADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H](OCCCc3ccccc3)C1)CCC2 ZINC000667687854 462214539 /nfs/dbraw/zinc/21/45/39/462214539.db2.gz ZFXVOUUTGLQMTH-LJQANCHMSA-N 2 2 325.456 3.053 20 0 EGADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667687670 462214888 /nfs/dbraw/zinc/21/48/88/462214888.db2.gz UCHFIFFSFZLIJU-MRXNPFEDSA-N 2 2 335.455 3.152 20 0 EGADLP Clc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)cc1Cl ZINC000661377970 462222596 /nfs/dbraw/zinc/22/25/96/462222596.db2.gz YAYNRCLYGRQJFA-UHFFFAOYSA-N 2 2 325.243 3.012 20 0 EGADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000648906550 462326196 /nfs/dbraw/zinc/32/61/96/462326196.db2.gz ABCKOQJRELUCIL-JKSUJKDBSA-N 2 2 343.475 3.367 20 0 EGADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000665250002 462369100 /nfs/dbraw/zinc/36/91/00/462369100.db2.gz DZNSZFFSGJRQRE-FGZHOGPDSA-N 2 2 335.495 3.391 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000665257166 462372799 /nfs/dbraw/zinc/37/27/99/462372799.db2.gz BGYUFYNMPVKCDB-OMWUSAIZSA-N 2 2 328.435 3.029 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1O ZINC000665258886 462372904 /nfs/dbraw/zinc/37/29/04/462372904.db2.gz OFQOIIHDVQSHDN-MORSLUCNSA-N 2 2 344.430 3.336 20 0 EGADLP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000665290639 462387806 /nfs/dbraw/zinc/38/78/06/462387806.db2.gz GBXGICKOECWPIH-CYBMUJFWSA-N 2 2 341.242 3.189 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736527 462389464 /nfs/dbraw/zinc/38/94/64/462389464.db2.gz OBJVBSXKZGQIEO-QGZVFWFLSA-N 2 2 333.863 3.468 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736527 462389466 /nfs/dbraw/zinc/38/94/66/462389466.db2.gz OBJVBSXKZGQIEO-QGZVFWFLSA-N 2 2 333.863 3.468 20 0 EGADLP CCCn1nccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000668084307 462412774 /nfs/dbraw/zinc/41/27/74/462412774.db2.gz HDIHQJZKWHRBRP-UHFFFAOYSA-N 2 2 327.476 3.206 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000658243225 462441090 /nfs/dbraw/zinc/44/10/90/462441090.db2.gz YRQVSAXRLYEVNH-QZTJIDSGSA-N 2 2 331.504 3.138 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2C1 ZINC000649214521 462441792 /nfs/dbraw/zinc/44/17/92/462441792.db2.gz BJEIYMAWKZBVAV-MRXNPFEDSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2C1 ZINC000649214521 462441796 /nfs/dbraw/zinc/44/17/96/462441796.db2.gz BJEIYMAWKZBVAV-MRXNPFEDSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295723 462461679 /nfs/dbraw/zinc/46/16/79/462461679.db2.gz VIWFVXHDTWBFPY-NHCUHLMSSA-N 2 2 330.516 3.487 20 0 EGADLP CC1(C)C[NH2+]CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000649273455 462464095 /nfs/dbraw/zinc/46/40/95/462464095.db2.gz LDZKKHAJEKBVJW-UHFFFAOYSA-N 2 2 345.830 3.351 20 0 EGADLP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000649315742 462477406 /nfs/dbraw/zinc/47/74/06/462477406.db2.gz HOZOZCDOEVBBSI-HNNXBMFYSA-N 2 2 331.803 3.464 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000665520622 462482813 /nfs/dbraw/zinc/48/28/13/462482813.db2.gz OLALBGGMCCHHKP-TWMKSMIVSA-N 2 2 332.492 3.218 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000665520622 462482820 /nfs/dbraw/zinc/48/28/20/462482820.db2.gz OLALBGGMCCHHKP-TWMKSMIVSA-N 2 2 332.492 3.218 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416944 462503499 /nfs/dbraw/zinc/50/34/99/462503499.db2.gz REBSOTBICDCICD-AEFFLSMTSA-N 2 2 329.513 3.488 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000649416944 462503501 /nfs/dbraw/zinc/50/35/01/462503501.db2.gz REBSOTBICDCICD-AEFFLSMTSA-N 2 2 329.513 3.488 20 0 EGADLP Cc1cccc2[nH+]c(Cn3cc(C[N@@H+](C)C4CCCCC4)nn3)cn21 ZINC000641030358 462538369 /nfs/dbraw/zinc/53/83/69/462538369.db2.gz SRFPVAZWNHSVGO-UHFFFAOYSA-N 2 2 338.459 3.047 20 0 EGADLP Cc1cccc2[nH+]c(Cn3cc(C[N@H+](C)C4CCCCC4)nn3)cn21 ZINC000641030358 462538370 /nfs/dbraw/zinc/53/83/70/462538370.db2.gz SRFPVAZWNHSVGO-UHFFFAOYSA-N 2 2 338.459 3.047 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccs1 ZINC000155157251 533932792 /nfs/dbraw/zinc/93/27/92/533932792.db2.gz OVKCGROTHLZYOZ-INIZCTEOSA-N 2 2 346.496 3.310 20 0 EGADLP Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)nc(C(C)C)[nH+]1 ZINC000301116535 518187796 /nfs/dbraw/zinc/18/77/96/518187796.db2.gz XTOLJGVHPBDARJ-UHFFFAOYSA-N 2 2 340.471 3.353 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969181 534446999 /nfs/dbraw/zinc/44/69/99/534446999.db2.gz OCIXGJFOVCRRSQ-LVCYWYKZSA-N 3 2 329.532 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000177969181 534447002 /nfs/dbraw/zinc/44/70/02/534447002.db2.gz OCIXGJFOVCRRSQ-LVCYWYKZSA-N 3 2 329.532 3.012 20 0 EGADLP CC[NH+](CC)CCSCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000174691897 528162408 /nfs/dbraw/zinc/16/24/08/528162408.db2.gz OLEPUPCTNLLCEA-UHFFFAOYSA-N 2 2 346.500 3.101 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC000353341043 537116917 /nfs/dbraw/zinc/11/69/17/537116917.db2.gz ZDYORXAZYDEDQW-UHFFFAOYSA-N 2 2 335.810 3.205 20 0 EGADLP CC(C)n1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000076109826 546584224 /nfs/dbraw/zinc/58/42/24/546584224.db2.gz GPWAFMHINZEPEQ-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000076109826 546584227 /nfs/dbraw/zinc/58/42/27/546584227.db2.gz GPWAFMHINZEPEQ-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000076109826 546584230 /nfs/dbraw/zinc/58/42/30/546584230.db2.gz GPWAFMHINZEPEQ-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000076109826 546584234 /nfs/dbraw/zinc/58/42/34/546584234.db2.gz GPWAFMHINZEPEQ-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000090168352 546654777 /nfs/dbraw/zinc/65/47/77/546654777.db2.gz DKDRZBNGZJJFOX-PMACEKPBSA-N 2 2 346.515 3.215 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000090168352 546654781 /nfs/dbraw/zinc/65/47/81/546654781.db2.gz DKDRZBNGZJJFOX-PMACEKPBSA-N 2 2 346.515 3.215 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151860153 546861178 /nfs/dbraw/zinc/86/11/78/546861178.db2.gz WZQYSDWLWUSZGR-SJORKVTESA-N 2 2 331.504 3.430 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000157631762 546921099 /nfs/dbraw/zinc/92/10/99/546921099.db2.gz KEDKDPZXWGSZAH-SFHVURJKSA-N 2 2 346.519 3.166 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000157631762 546921104 /nfs/dbraw/zinc/92/11/04/546921104.db2.gz KEDKDPZXWGSZAH-SFHVURJKSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246202549 547276162 /nfs/dbraw/zinc/27/61/62/547276162.db2.gz LZHSKNUSIWCHDP-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246202549 547276167 /nfs/dbraw/zinc/27/61/67/547276167.db2.gz LZHSKNUSIWCHDP-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246202549 547276172 /nfs/dbraw/zinc/27/61/72/547276172.db2.gz LZHSKNUSIWCHDP-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246202549 547276176 /nfs/dbraw/zinc/27/61/76/547276176.db2.gz LZHSKNUSIWCHDP-UXHICEINSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H](CC[N@H+](C)CCc1nccs1)[NH+](C)CCc1nccs1 ZINC000269875960 547341675 /nfs/dbraw/zinc/34/16/75/547341675.db2.gz IZWXUULXNKBOKM-AWEZNQCLSA-N 2 2 338.546 3.027 20 0 EGADLP C[C@@H](CC[N@@H+](C)CCc1nccs1)[NH+](C)CCc1nccs1 ZINC000269875960 547341677 /nfs/dbraw/zinc/34/16/77/547341677.db2.gz IZWXUULXNKBOKM-AWEZNQCLSA-N 2 2 338.546 3.027 20 0 EGADLP C[C@@H](CC[NH+](C)CCc1nccs1)[N@H+](C)CCc1nccs1 ZINC000269875960 547341678 /nfs/dbraw/zinc/34/16/78/547341678.db2.gz IZWXUULXNKBOKM-AWEZNQCLSA-N 2 2 338.546 3.027 20 0 EGADLP C[C@@H](CC[NH+](C)CCc1nccs1)[N@@H+](C)CCc1nccs1 ZINC000269875960 547341680 /nfs/dbraw/zinc/34/16/80/547341680.db2.gz IZWXUULXNKBOKM-AWEZNQCLSA-N 2 2 338.546 3.027 20 0 EGADLP COc1ccncc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000287956546 547401695 /nfs/dbraw/zinc/40/16/95/547401695.db2.gz YKFNQUQLRWCKHY-IRXDYDNUSA-N 2 2 339.483 3.336 20 0 EGADLP CC(C)CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccoc1 ZINC000353524197 547694891 /nfs/dbraw/zinc/69/48/91/547694891.db2.gz ZVUZSPYUOHUQCQ-IBGZPJMESA-N 2 2 349.519 3.289 20 0 EGADLP CCc1cc(N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)nc(C)[nH+]1 ZINC000359720597 547753202 /nfs/dbraw/zinc/75/32/02/547753202.db2.gz CHPBYLWRVTZUSS-LJQANCHMSA-N 2 2 340.471 3.141 20 0 EGADLP C[NH+](C)C1(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000397823034 547836011 /nfs/dbraw/zinc/83/60/11/547836011.db2.gz VGBQVPFINXBPDN-UHFFFAOYSA-N 2 2 334.261 3.181 20 0 EGADLP COc1ccc(OCc2nc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414924036 547861881 /nfs/dbraw/zinc/86/18/81/547861881.db2.gz JIEUCTYBMJXWLL-ZIAGYGMSSA-N 2 2 347.484 3.090 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC000474817771 547954472 /nfs/dbraw/zinc/95/44/72/547954472.db2.gz KUIAOHRFHRFKKG-FXQLRMTLSA-N 2 2 336.442 3.302 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000482871377 547966129 /nfs/dbraw/zinc/96/61/29/547966129.db2.gz HPJGEDFIXXRJHI-NHCUHLMSSA-N 2 2 329.532 3.013 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000482871377 547966132 /nfs/dbraw/zinc/96/61/32/547966132.db2.gz HPJGEDFIXXRJHI-NHCUHLMSSA-N 2 2 329.532 3.013 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000675248139 548880247 /nfs/dbraw/zinc/88/02/47/548880247.db2.gz YQBBZAQNKSITAJ-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000675248139 548880248 /nfs/dbraw/zinc/88/02/48/548880248.db2.gz YQBBZAQNKSITAJ-IBGZPJMESA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000675898293 548999994 /nfs/dbraw/zinc/99/99/94/548999994.db2.gz KWRWKWKHZLXQQM-UWJYYQICSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000675898293 548999999 /nfs/dbraw/zinc/99/99/99/548999999.db2.gz KWRWKWKHZLXQQM-UWJYYQICSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)s1 ZINC000676489465 549096107 /nfs/dbraw/zinc/09/61/07/549096107.db2.gz PFSILSNSYRTSKY-CQSZACIVSA-N 2 2 345.512 3.443 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)s1 ZINC000676839820 549164863 /nfs/dbraw/zinc/16/48/63/549164863.db2.gz RUTGIEUFLAAWKP-ZDUSSCGKSA-N 2 2 330.501 3.470 20 0 EGADLP COc1ccc2[nH+]c(N3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc2c1 ZINC000677308304 549246827 /nfs/dbraw/zinc/24/68/27/549246827.db2.gz CJKUTCBCQRPGQJ-QGZVFWFLSA-N 2 2 325.456 3.412 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000678080872 549393072 /nfs/dbraw/zinc/39/30/72/549393072.db2.gz PCRPILFAXOXSRN-DNVCBOLYSA-N 2 2 339.418 3.291 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@H]1n1cc[nH+]c1 ZINC000678080872 549393075 /nfs/dbraw/zinc/39/30/75/549393075.db2.gz PCRPILFAXOXSRN-DNVCBOLYSA-N 2 2 339.418 3.291 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)c[nH+]1 ZINC000678235982 549437415 /nfs/dbraw/zinc/43/74/15/549437415.db2.gz SFMBWKMXDZPFBN-QGZVFWFLSA-N 2 2 335.411 3.303 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)c[nH+]1 ZINC000678235982 549437420 /nfs/dbraw/zinc/43/74/20/549437420.db2.gz SFMBWKMXDZPFBN-QGZVFWFLSA-N 2 2 335.411 3.303 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000678339735 549473218 /nfs/dbraw/zinc/47/32/18/549473218.db2.gz NVHNWQFGKWRBJR-VQIMIIECSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000678339735 549473222 /nfs/dbraw/zinc/47/32/22/549473222.db2.gz NVHNWQFGKWRBJR-VQIMIIECSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000678339735 549473227 /nfs/dbraw/zinc/47/32/27/549473227.db2.gz NVHNWQFGKWRBJR-VQIMIIECSA-N 2 2 340.471 3.001 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000678339735 549473232 /nfs/dbraw/zinc/47/32/32/549473232.db2.gz NVHNWQFGKWRBJR-VQIMIIECSA-N 2 2 340.471 3.001 20 0 EGADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679770325 549774488 /nfs/dbraw/zinc/77/44/88/549774488.db2.gz MOZFPSYGDXOTMC-IEBWSBKVSA-N 2 2 348.462 3.272 20 0 EGADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867235 549920959 /nfs/dbraw/zinc/92/09/59/549920959.db2.gz CGLHMDACAMHBAZ-QQGUTBHFSA-N 2 2 349.563 3.124 20 0 EGADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCC(C)CC1 ZINC000680867235 549920962 /nfs/dbraw/zinc/92/09/62/549920962.db2.gz CGLHMDACAMHBAZ-QQGUTBHFSA-N 2 2 349.563 3.124 20 0 EGADLP COc1cc(C)c([C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069752 550068210 /nfs/dbraw/zinc/06/82/10/550068210.db2.gz AAJUKPKFKYITKD-MSOLQXFVSA-N 2 2 332.488 3.027 20 0 EGADLP COc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069752 550068213 /nfs/dbraw/zinc/06/82/13/550068213.db2.gz AAJUKPKFKYITKD-MSOLQXFVSA-N 2 2 332.488 3.027 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]Cc3ccc(O)cc3)CCCCC2)CCO1 ZINC000682407330 550095790 /nfs/dbraw/zinc/09/57/90/550095790.db2.gz SSHWWMUZGASOAP-UHFFFAOYSA-N 2 2 332.488 3.296 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]Cc3ccc(O)cc3)CCCCC2)CCO1 ZINC000682407330 550095791 /nfs/dbraw/zinc/09/57/91/550095791.db2.gz SSHWWMUZGASOAP-UHFFFAOYSA-N 2 2 332.488 3.296 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000682616567 550120404 /nfs/dbraw/zinc/12/04/04/550120404.db2.gz DSCGYJAHGOKOFQ-HOJAQTOUSA-N 2 2 340.515 3.270 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000682616567 550120408 /nfs/dbraw/zinc/12/04/08/550120408.db2.gz DSCGYJAHGOKOFQ-HOJAQTOUSA-N 2 2 340.515 3.270 20 0 EGADLP COc1ccc2[nH+]c(NCCC[N@@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000683354172 550221513 /nfs/dbraw/zinc/22/15/13/550221513.db2.gz UJUIOCBLNKXZCN-HNNXBMFYSA-N 2 2 329.444 3.156 20 0 EGADLP COc1ccc2[nH+]c(NCCC[N@H+]3CCCO[C@@H](C)C3)ccc2c1 ZINC000683354172 550221514 /nfs/dbraw/zinc/22/15/14/550221514.db2.gz UJUIOCBLNKXZCN-HNNXBMFYSA-N 2 2 329.444 3.156 20 0 EGADLP Cc1cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)sn1 ZINC000683888953 550271364 /nfs/dbraw/zinc/27/13/64/550271364.db2.gz OASVFZHDTWOVLG-MRXNPFEDSA-N 2 2 345.512 3.441 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc4ccccc4[nH]3)[nH+]c2)C1 ZINC000683922823 550273909 /nfs/dbraw/zinc/27/39/09/550273909.db2.gz MUNPMPQVAUXAHP-SFHVURJKSA-N 2 2 335.455 3.315 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000684821202 550373202 /nfs/dbraw/zinc/37/32/02/550373202.db2.gz WQFOZTCKERBSQY-GOSISDBHSA-N 2 2 334.423 3.328 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000684821202 550373203 /nfs/dbraw/zinc/37/32/03/550373203.db2.gz WQFOZTCKERBSQY-GOSISDBHSA-N 2 2 334.423 3.328 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4cccnc43)[nH+]c2)C1 ZINC000684962098 550389137 /nfs/dbraw/zinc/38/91/37/550389137.db2.gz XIZYRRLEKLRISV-QZTJIDSGSA-N 2 2 337.471 3.106 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1c[nH+]c2ccccn12)Cc1ccncc1 ZINC000685455038 550418428 /nfs/dbraw/zinc/41/84/28/550418428.db2.gz ZEUJICSGEUZWDX-LJQANCHMSA-N 2 2 349.482 3.216 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CN(Cc1c[nH+]c2ccccn12)Cc1ccncc1 ZINC000685455038 550418429 /nfs/dbraw/zinc/41/84/29/550418429.db2.gz ZEUJICSGEUZWDX-LJQANCHMSA-N 2 2 349.482 3.216 20 0 EGADLP Cc1cccn2cc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)nc12 ZINC000685579319 550429722 /nfs/dbraw/zinc/42/97/22/550429722.db2.gz ORRGFFPKGPXXBJ-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000729682189 574878530 /nfs/dbraw/zinc/87/85/30/574878530.db2.gz PDDAOYDYZKEOTH-INIZCTEOSA-N 2 2 338.480 3.395 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000729682189 574878533 /nfs/dbraw/zinc/87/85/33/574878533.db2.gz PDDAOYDYZKEOTH-INIZCTEOSA-N 2 2 338.480 3.395 20 0 EGADLP O[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000732204865 575244582 /nfs/dbraw/zinc/24/45/82/575244582.db2.gz UVYVWHDEOGSCNO-MRXNPFEDSA-N 2 2 339.361 3.272 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)c(Cl)nc21 ZINC000742374792 576775586 /nfs/dbraw/zinc/77/55/86/576775586.db2.gz HBBDAVSZHFMMIB-IUODEOHRSA-N 2 2 335.883 3.238 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c(Cl)nc21 ZINC000742374792 576775587 /nfs/dbraw/zinc/77/55/87/576775587.db2.gz HBBDAVSZHFMMIB-IUODEOHRSA-N 2 2 335.883 3.238 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855653 576817200 /nfs/dbraw/zinc/81/72/00/576817200.db2.gz VJIMICBXJLCHQL-AZUAARDMSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855653 576817201 /nfs/dbraw/zinc/81/72/01/576817201.db2.gz VJIMICBXJLCHQL-AZUAARDMSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([NH+](C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)cc1 ZINC000743855653 576817202 /nfs/dbraw/zinc/81/72/02/576817202.db2.gz VJIMICBXJLCHQL-AZUAARDMSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([NH+](C)CC[C@@H]3CCCC[N@H+]3C)C2=O)cc1 ZINC000743855653 576817203 /nfs/dbraw/zinc/81/72/03/576817203.db2.gz VJIMICBXJLCHQL-AZUAARDMSA-N 2 2 343.515 3.297 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000585094156 1298027847 /nfs/dbraw/zinc/02/78/47/1298027847.db2.gz KJRGECJMISZTTD-QFUCXCTJSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000585094156 1298027854 /nfs/dbraw/zinc/02/78/54/1298027854.db2.gz KJRGECJMISZTTD-QFUCXCTJSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094156 1298027862 /nfs/dbraw/zinc/02/78/62/1298027862.db2.gz KJRGECJMISZTTD-QFUCXCTJSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094156 1298027865 /nfs/dbraw/zinc/02/78/65/1298027865.db2.gz KJRGECJMISZTTD-QFUCXCTJSA-N 2 2 339.483 3.100 20 0 EGADLP C[NH+](C)C1(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000695191525 1298158017 /nfs/dbraw/zinc/15/80/17/1298158017.db2.gz HEKFFEMZKDQYJY-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP CCc1nc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cs1 ZINC000063524153 1292014937 /nfs/dbraw/zinc/01/49/37/1292014937.db2.gz AXTFBKSDCSLJIT-HNNXBMFYSA-N 2 2 345.512 3.216 20 0 EGADLP CCc1nc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cs1 ZINC000063524153 1292014946 /nfs/dbraw/zinc/01/49/46/1292014946.db2.gz AXTFBKSDCSLJIT-HNNXBMFYSA-N 2 2 345.512 3.216 20 0 EGADLP c1cnc2c(c1)cccc2C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000075810034 1292412954 /nfs/dbraw/zinc/41/29/54/1292412954.db2.gz SBGLKQRCEWIMEJ-UHFFFAOYSA-N 2 2 347.462 3.357 20 0 EGADLP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000093945871 1292937436 /nfs/dbraw/zinc/93/74/36/1292937436.db2.gz DONJSBFMMWZELT-UHFFFAOYSA-N 2 2 340.515 3.472 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000112709467 1293131928 /nfs/dbraw/zinc/13/19/28/1293131928.db2.gz HSVLEOYXVKDHKG-UHFFFAOYSA-N 2 2 328.403 3.259 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(OC(F)F)c1 ZINC000114758359 1293176906 /nfs/dbraw/zinc/17/69/06/1293176906.db2.gz ZTNHYURNTSHJIV-UHFFFAOYSA-N 2 2 328.403 3.259 20 0 EGADLP CC(C)c1nc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cs1 ZINC000119736191 1293285870 /nfs/dbraw/zinc/28/58/70/1293285870.db2.gz KBRUTRKXZIIQHC-UHFFFAOYSA-N 2 2 333.501 3.497 20 0 EGADLP CC/C=C(/C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124607826 1293480230 /nfs/dbraw/zinc/48/02/30/1293480230.db2.gz BMYBFOAVESHSMS-KFMUGMCPSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C=C(/C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124607826 1293480235 /nfs/dbraw/zinc/48/02/35/1293480235.db2.gz BMYBFOAVESHSMS-KFMUGMCPSA-N 2 2 335.536 3.138 20 0 EGADLP Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)n2c1 ZINC000131110368 1293679102 /nfs/dbraw/zinc/67/91/02/1293679102.db2.gz ZIRVDKYWILLOGO-QGZVFWFLSA-N 2 2 349.482 3.353 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000152876919 1293989055 /nfs/dbraw/zinc/98/90/55/1293989055.db2.gz CRXRDIBGYAMNFX-UHFFFAOYSA-N 2 2 345.409 3.079 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc[nH]c1=S ZINC000173512218 1294464403 /nfs/dbraw/zinc/46/44/03/1294464403.db2.gz PFVCUYYGLZEUDN-UHFFFAOYSA-N 2 2 331.489 3.137 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc[nH]c1=S ZINC000173512218 1294464407 /nfs/dbraw/zinc/46/44/07/1294464407.db2.gz PFVCUYYGLZEUDN-UHFFFAOYSA-N 2 2 331.489 3.137 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000871877237 1296587061 /nfs/dbraw/zinc/58/70/61/1296587061.db2.gz CGHHHVQZWAUQNV-AWEZNQCLSA-N 2 2 337.895 3.438 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261561924 1296594370 /nfs/dbraw/zinc/59/43/70/1296594370.db2.gz GFNLPPQWQWIDJL-YLJYHZDGSA-N 2 2 340.467 3.122 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000872063797 1296710433 /nfs/dbraw/zinc/71/04/33/1296710433.db2.gz SPZZKXBGMGBPPQ-RDJZCZTQSA-N 2 2 341.455 3.272 20 0 EGADLP Fc1cccc(-c2ccn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000872582681 1297013540 /nfs/dbraw/zinc/01/35/40/1297013540.db2.gz ZQSJUKPBALJTGH-QGZVFWFLSA-N 2 2 325.391 3.180 20 0 EGADLP Fc1cccc(-c2ccn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000872582681 1297013555 /nfs/dbraw/zinc/01/35/55/1297013555.db2.gz ZQSJUKPBALJTGH-QGZVFWFLSA-N 2 2 325.391 3.180 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378875792 1297523740 /nfs/dbraw/zinc/52/37/40/1297523740.db2.gz ZXZXGOAZFREUFA-CYBMUJFWSA-N 2 2 333.395 3.305 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000378900938 1297525802 /nfs/dbraw/zinc/52/58/02/1297525802.db2.gz CHSJIDYEWQGYJQ-MJGOQNOKSA-N 2 2 327.472 3.454 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000378911261 1297527598 /nfs/dbraw/zinc/52/75/98/1297527598.db2.gz IYPPOUGAFOUZDP-RXVVDRJESA-N 2 2 338.451 3.432 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000378911261 1297527605 /nfs/dbraw/zinc/52/76/05/1297527605.db2.gz IYPPOUGAFOUZDP-RXVVDRJESA-N 2 2 338.451 3.432 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000388215498 1297599742 /nfs/dbraw/zinc/59/97/42/1297599742.db2.gz SBIFERJLWCCXMY-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Br)c1 ZINC000388215498 1297599751 /nfs/dbraw/zinc/59/97/51/1297599751.db2.gz SBIFERJLWCCXMY-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390549131 1297628780 /nfs/dbraw/zinc/62/87/80/1297628780.db2.gz AVKISILYAQIJJH-SFHVURJKSA-N 2 2 347.503 3.155 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390549131 1297628790 /nfs/dbraw/zinc/62/87/90/1297628790.db2.gz AVKISILYAQIJJH-SFHVURJKSA-N 2 2 347.503 3.155 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398044350 1297710869 /nfs/dbraw/zinc/71/08/69/1297710869.db2.gz UVEDJPCHERZNHI-CRAIPNDOSA-N 2 2 325.456 3.096 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398044350 1297710874 /nfs/dbraw/zinc/71/08/74/1297710874.db2.gz UVEDJPCHERZNHI-CRAIPNDOSA-N 2 2 325.456 3.096 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398044355 1297711165 /nfs/dbraw/zinc/71/11/65/1297711165.db2.gz UVEDJPCHERZNHI-YJBOKZPZSA-N 2 2 325.456 3.096 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398044355 1297711173 /nfs/dbraw/zinc/71/11/73/1297711173.db2.gz UVEDJPCHERZNHI-YJBOKZPZSA-N 2 2 325.456 3.096 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444800280 1297859625 /nfs/dbraw/zinc/85/96/25/1297859625.db2.gz JAKSFNONBJBDAB-STQMWFEESA-N 2 2 343.456 3.472 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444800280 1297859639 /nfs/dbraw/zinc/85/96/39/1297859639.db2.gz JAKSFNONBJBDAB-STQMWFEESA-N 2 2 343.456 3.472 20 0 EGADLP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880203 1298153133 /nfs/dbraw/zinc/15/31/33/1298153133.db2.gz VFTURMZAJSRFHK-JKSUJKDBSA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880203 1298153137 /nfs/dbraw/zinc/15/31/37/1298153137.db2.gz VFTURMZAJSRFHK-JKSUJKDBSA-N 2 2 341.540 3.246 20 0 EGADLP O[C@]1(C[NH2+]Cc2cccc(C(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000702572670 1298195526 /nfs/dbraw/zinc/19/55/26/1298195526.db2.gz HPHZVQRBZGQAMQ-FQEVSTJZSA-N 2 2 346.421 3.351 20 0 EGADLP O[C@]1(C[NH2+]Cc2cccc(C(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702572670 1298195531 /nfs/dbraw/zinc/19/55/31/1298195531.db2.gz HPHZVQRBZGQAMQ-FQEVSTJZSA-N 2 2 346.421 3.351 20 0 EGADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000749587073 1299239297 /nfs/dbraw/zinc/23/92/97/1299239297.db2.gz FYCBLEZBGPRKDI-XYJFISCASA-N 2 2 349.519 3.051 20 0 EGADLP CC1(C)OCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000877338266 1299251741 /nfs/dbraw/zinc/25/17/41/1299251741.db2.gz AWFDNPGIGUMVQB-APWZRJJASA-N 2 2 330.472 3.096 20 0 EGADLP CC1(C)OCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CO1 ZINC000877338266 1299251750 /nfs/dbraw/zinc/25/17/50/1299251750.db2.gz AWFDNPGIGUMVQB-APWZRJJASA-N 2 2 330.472 3.096 20 0 EGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742617 1299518686 /nfs/dbraw/zinc/51/86/86/1299518686.db2.gz FQYGMBQIZKSZAE-AZUAARDMSA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742617 1299518693 /nfs/dbraw/zinc/51/86/93/1299518693.db2.gz FQYGMBQIZKSZAE-AZUAARDMSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742617 1299518698 /nfs/dbraw/zinc/51/86/98/1299518698.db2.gz FQYGMBQIZKSZAE-AZUAARDMSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@H]21 ZINC000877742617 1299518704 /nfs/dbraw/zinc/51/87/04/1299518704.db2.gz FQYGMBQIZKSZAE-AZUAARDMSA-N 2 2 325.431 3.414 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743841 1299521574 /nfs/dbraw/zinc/52/15/74/1299521574.db2.gz NBUCHHGUQOHZLH-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743841 1299521583 /nfs/dbraw/zinc/52/15/83/1299521583.db2.gz NBUCHHGUQOHZLH-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1OCC(C)C ZINC000877743841 1299521591 /nfs/dbraw/zinc/52/15/91/1299521591.db2.gz NBUCHHGUQOHZLH-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1OCC(C)C ZINC000877743841 1299521597 /nfs/dbraw/zinc/52/15/97/1299521597.db2.gz NBUCHHGUQOHZLH-ZWKOTPCHSA-N 2 2 332.488 3.256 20 0 EGADLP c1ccc2c(c1)OC1(CCOCC1)C[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000877870642 1299616739 /nfs/dbraw/zinc/61/67/39/1299616739.db2.gz DKFVOCOTQMJJER-IBGZPJMESA-N 2 2 342.483 3.276 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878126186 1299763618 /nfs/dbraw/zinc/76/36/18/1299763618.db2.gz UKUOWFIBVVSTET-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000878126186 1299763620 /nfs/dbraw/zinc/76/36/20/1299763620.db2.gz UKUOWFIBVVSTET-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000878126186 1299763622 /nfs/dbraw/zinc/76/36/22/1299763622.db2.gz UKUOWFIBVVSTET-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878126186 1299763625 /nfs/dbraw/zinc/76/36/25/1299763625.db2.gz UKUOWFIBVVSTET-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367547 1300328255 /nfs/dbraw/zinc/32/82/55/1300328255.db2.gz SMVXVMXQLHCVHB-QFBILLFUSA-N 2 2 343.515 3.098 20 0 EGADLP CC[C@H](C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000755367547 1300328268 /nfs/dbraw/zinc/32/82/68/1300328268.db2.gz SMVXVMXQLHCVHB-QFBILLFUSA-N 2 2 343.515 3.098 20 0 EGADLP CC[C@H](C)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755366207 1300328850 /nfs/dbraw/zinc/32/88/50/1300328850.db2.gz KKQKHFHPQLCWSA-KRWDZBQOSA-N 2 2 345.531 3.298 20 0 EGADLP CC[C@H](C)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000755366207 1300328864 /nfs/dbraw/zinc/32/88/64/1300328864.db2.gz KKQKHFHPQLCWSA-KRWDZBQOSA-N 2 2 345.531 3.298 20 0 EGADLP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000879683661 1300675868 /nfs/dbraw/zinc/67/58/68/1300675868.db2.gz WMQSRAZFHKQYMF-JLYLLQBASA-N 2 2 349.438 3.474 20 0 EGADLP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000879683661 1300675872 /nfs/dbraw/zinc/67/58/72/1300675872.db2.gz WMQSRAZFHKQYMF-JLYLLQBASA-N 2 2 349.438 3.474 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757642343 1300701269 /nfs/dbraw/zinc/70/12/69/1300701269.db2.gz LMUXCLQXVLQIRO-CRAIPNDOSA-N 2 2 348.450 3.390 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757642343 1300701275 /nfs/dbraw/zinc/70/12/75/1300701275.db2.gz LMUXCLQXVLQIRO-CRAIPNDOSA-N 2 2 348.450 3.390 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C)CCOCC3)CC2)cc1 ZINC000758320155 1300850682 /nfs/dbraw/zinc/85/06/82/1300850682.db2.gz AIVCJIUVZCGLJW-UHFFFAOYSA-N 2 2 331.504 3.128 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569479 1301165872 /nfs/dbraw/zinc/16/58/72/1301165872.db2.gz LWZCSXINHSJPRA-QMMLZNLJSA-N 2 2 335.451 3.379 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160936 1301227994 /nfs/dbraw/zinc/22/79/94/1301227994.db2.gz UIXVOOZWOAYZSE-DRZSPHRISA-N 2 2 344.286 3.089 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160936 1301228003 /nfs/dbraw/zinc/22/80/03/1301228003.db2.gz UIXVOOZWOAYZSE-DRZSPHRISA-N 2 2 344.286 3.089 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160937 1301228459 /nfs/dbraw/zinc/22/84/59/1301228459.db2.gz UIXVOOZWOAYZSE-UHTWSYAYSA-N 2 2 344.286 3.089 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160937 1301228465 /nfs/dbraw/zinc/22/84/65/1301228465.db2.gz UIXVOOZWOAYZSE-UHTWSYAYSA-N 2 2 344.286 3.089 20 0 EGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000760844853 1301349791 /nfs/dbraw/zinc/34/97/91/1301349791.db2.gz NQFGRGAQVUILJY-ZACQAIPSSA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000760844853 1301349802 /nfs/dbraw/zinc/34/98/02/1301349802.db2.gz NQFGRGAQVUILJY-ZACQAIPSSA-N 2 2 339.524 3.191 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c(C)c(C)[nH+]1 ZINC000761873178 1301559196 /nfs/dbraw/zinc/55/91/96/1301559196.db2.gz WBNVOMXTGFEHRU-UHFFFAOYSA-N 2 2 347.466 3.272 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Br)ncc1F ZINC000762737530 1301740886 /nfs/dbraw/zinc/74/08/86/1301740886.db2.gz SHVKDXHISNDEAI-LLVKDONJSA-N 2 2 341.228 3.311 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765793508 1302328699 /nfs/dbraw/zinc/32/86/99/1302328699.db2.gz ZBEYAQWNPYOSPG-CWRNSKLLSA-N 2 2 338.879 3.253 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765793508 1302328713 /nfs/dbraw/zinc/32/87/13/1302328713.db2.gz ZBEYAQWNPYOSPG-CWRNSKLLSA-N 2 2 338.879 3.253 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766795122 1302519758 /nfs/dbraw/zinc/51/97/58/1302519758.db2.gz AEZNXQQINAOJAU-ZDUSSCGKSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000766795122 1302519766 /nfs/dbraw/zinc/51/97/66/1302519766.db2.gz AEZNXQQINAOJAU-ZDUSSCGKSA-N 2 2 346.302 3.321 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769687928 1303158500 /nfs/dbraw/zinc/15/85/00/1303158500.db2.gz GSIKBTKTUXZBIK-OWCLPIDISA-N 2 2 327.513 3.142 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769687928 1303158505 /nfs/dbraw/zinc/15/85/05/1303158505.db2.gz GSIKBTKTUXZBIK-OWCLPIDISA-N 2 2 327.513 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000769688819 1303158930 /nfs/dbraw/zinc/15/89/30/1303158930.db2.gz CYYBXOZHQWTWJS-YESZJQIVSA-N 2 2 341.540 3.388 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000886316825 1303431407 /nfs/dbraw/zinc/43/14/07/1303431407.db2.gz NZDWBETZZQPYFQ-HNNXBMFYSA-N 2 2 334.426 3.342 20 0 EGADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000886602319 1303519538 /nfs/dbraw/zinc/51/95/38/1303519538.db2.gz OQSMLVNVBXNHID-QGZVFWFLSA-N 2 2 347.503 3.068 20 0 EGADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000886602319 1303519540 /nfs/dbraw/zinc/51/95/40/1303519540.db2.gz OQSMLVNVBXNHID-QGZVFWFLSA-N 2 2 347.503 3.068 20 0 EGADLP Cc1[nH]c(C2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1C ZINC000886661247 1303543126 /nfs/dbraw/zinc/54/31/26/1303543126.db2.gz PVUNVVHBUNISPP-UHFFFAOYSA-N 2 2 326.488 3.338 20 0 EGADLP Cc1[nH]c(C2CCN(CC[N@H+](C)Cc3ccccc3)CC2)[nH+]c1C ZINC000886661247 1303543130 /nfs/dbraw/zinc/54/31/30/1303543130.db2.gz PVUNVVHBUNISPP-UHFFFAOYSA-N 2 2 326.488 3.338 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CCN(C)Cc3ccccc3)CC2)[nH+]c1C ZINC000886661247 1303543135 /nfs/dbraw/zinc/54/31/35/1303543135.db2.gz PVUNVVHBUNISPP-UHFFFAOYSA-N 2 2 326.488 3.338 20 0 EGADLP CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886672163 1303551501 /nfs/dbraw/zinc/55/15/01/1303551501.db2.gz JVUVNEOHHBYIEJ-CQSZACIVSA-N 2 2 334.508 3.291 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCCO1 ZINC000773101310 1303624635 /nfs/dbraw/zinc/62/46/35/1303624635.db2.gz BGTAKPAPNPGRSI-VQTJNVASSA-N 2 2 331.504 3.269 20 0 EGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]C[C@H]3CCC=CO3)CC2)c1 ZINC000774997085 1303887618 /nfs/dbraw/zinc/88/76/18/1303887618.db2.gz KGNXBFYFDUXIST-LJQANCHMSA-N 2 2 349.906 3.134 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073408 1304526099 /nfs/dbraw/zinc/52/60/99/1304526099.db2.gz OZTXHDICNRBNDB-BRWVUGGUSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073408 1304526103 /nfs/dbraw/zinc/52/61/03/1304526103.db2.gz OZTXHDICNRBNDB-BRWVUGGUSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000779078712 1304526940 /nfs/dbraw/zinc/52/69/40/1304526940.db2.gz PCTCZSGSKCJHFN-HOTGVXAUSA-N 2 2 348.491 3.119 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000780740291 1304732109 /nfs/dbraw/zinc/73/21/09/1304732109.db2.gz BIEPCAFHEWXLFR-SJORKVTESA-N 2 2 347.503 3.064 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892033074 1305233268 /nfs/dbraw/zinc/23/32/68/1305233268.db2.gz AXJMKAOJGOSXRM-ZDUSSCGKSA-N 2 2 339.505 3.479 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892033074 1305233274 /nfs/dbraw/zinc/23/32/74/1305233274.db2.gz AXJMKAOJGOSXRM-ZDUSSCGKSA-N 2 2 339.505 3.479 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893099136 1305707288 /nfs/dbraw/zinc/70/72/88/1305707288.db2.gz WKUNLTRBJDJTOY-JXFKEZNVSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893099136 1305707297 /nfs/dbraw/zinc/70/72/97/1305707297.db2.gz WKUNLTRBJDJTOY-JXFKEZNVSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000788246416 1305906416 /nfs/dbraw/zinc/90/64/16/1305906416.db2.gz DDKJSDDFHRBBPA-DJIMGWMZSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000788246416 1305906420 /nfs/dbraw/zinc/90/64/20/1305906420.db2.gz DDKJSDDFHRBBPA-DJIMGWMZSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000788505084 1305959324 /nfs/dbraw/zinc/95/93/24/1305959324.db2.gz RWJNTFTWZJWCLC-IAGOWNOFSA-N 2 2 348.491 3.041 20 0 EGADLP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC1 ZINC000893953998 1306144101 /nfs/dbraw/zinc/14/41/01/1306144101.db2.gz BIQPQAZTQXVBQA-FQEVSTJZSA-N 2 2 344.499 3.015 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894058344 1306194761 /nfs/dbraw/zinc/19/47/61/1306194761.db2.gz RTYOGENLWLWXHM-HNNXBMFYSA-N 2 2 343.471 3.118 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894058344 1306194763 /nfs/dbraw/zinc/19/47/63/1306194763.db2.gz RTYOGENLWLWXHM-HNNXBMFYSA-N 2 2 343.471 3.118 20 0 EGADLP CC(C)CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790373284 1306312177 /nfs/dbraw/zinc/31/21/77/1306312177.db2.gz RPNJKWWCGFRIFK-FQEVSTJZSA-N 2 2 349.519 3.009 20 0 EGADLP COCCOc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896197720 1309740886 /nfs/dbraw/zinc/74/08/86/1309740886.db2.gz FFXVGXUBEZRTOR-UHFFFAOYSA-N 2 2 341.455 3.183 20 0 EGADLP OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218715 1310225942 /nfs/dbraw/zinc/22/59/42/1310225942.db2.gz FVSNVAKOMPXENI-ROUUACIJSA-N 2 2 349.837 3.063 20 0 EGADLP OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218715 1310225945 /nfs/dbraw/zinc/22/59/45/1310225945.db2.gz FVSNVAKOMPXENI-ROUUACIJSA-N 2 2 349.837 3.063 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330744 1310292715 /nfs/dbraw/zinc/29/27/15/1310292715.db2.gz GBEMPNNWBCXPHR-MRXNPFEDSA-N 2 2 330.394 3.201 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392186 1310318532 /nfs/dbraw/zinc/31/85/32/1310318532.db2.gz QSXOEDULLJRYGO-UHFFFAOYSA-N 2 2 327.472 3.377 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392186 1310318535 /nfs/dbraw/zinc/31/85/35/1310318535.db2.gz QSXOEDULLJRYGO-UHFFFAOYSA-N 2 2 327.472 3.377 20 0 EGADLP C[NH+](Cc1cccc(=O)[nH]1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000897392186 1310318546 /nfs/dbraw/zinc/31/85/46/1310318546.db2.gz QSXOEDULLJRYGO-UHFFFAOYSA-N 2 2 327.472 3.377 20 0 EGADLP C[NH+](Cc1cccc(=O)[nH]1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000897392186 1310318549 /nfs/dbraw/zinc/31/85/49/1310318549.db2.gz QSXOEDULLJRYGO-UHFFFAOYSA-N 2 2 327.472 3.377 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164576 1310496716 /nfs/dbraw/zinc/49/67/16/1310496716.db2.gz LVUYPSZVLSPPRI-PBHICJAKSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164576 1310496720 /nfs/dbraw/zinc/49/67/20/1310496720.db2.gz LVUYPSZVLSPPRI-PBHICJAKSA-N 2 2 330.863 3.130 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898034959 1310557340 /nfs/dbraw/zinc/55/73/40/1310557340.db2.gz DOQDPKWULMATPD-UHFFFAOYSA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898034959 1310557360 /nfs/dbraw/zinc/55/73/60/1310557360.db2.gz DOQDPKWULMATPD-UHFFFAOYSA-N 2 2 339.524 3.144 20 0 EGADLP CC1(C)CC[N@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000898034254 1310558104 /nfs/dbraw/zinc/55/81/04/1310558104.db2.gz LYXKBECNMFFEKJ-UHFFFAOYSA-N 2 2 341.499 3.141 20 0 EGADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000898034254 1310558113 /nfs/dbraw/zinc/55/81/13/1310558113.db2.gz LYXKBECNMFFEKJ-UHFFFAOYSA-N 2 2 341.499 3.141 20 0 EGADLP Cc1ncccc1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000898256439 1310650024 /nfs/dbraw/zinc/65/00/24/1310650024.db2.gz XEKSKOYACZJTMP-UHFFFAOYSA-N 2 2 338.499 3.257 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)CNc3cccc[nH+]3)cc2)CC1 ZINC000900230401 1317255056 /nfs/dbraw/zinc/25/50/56/1317255056.db2.gz HRIBGNNWOHYHGK-UHFFFAOYSA-N 2 2 338.455 3.364 20 0 EGADLP CCc1ncc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000929755660 1328688441 /nfs/dbraw/zinc/68/84/41/1328688441.db2.gz VYLMCWUATBJQBG-UHFFFAOYSA-N 2 2 328.460 3.371 20 0 EGADLP CCc1ncc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000929755660 1328688451 /nfs/dbraw/zinc/68/84/51/1328688451.db2.gz VYLMCWUATBJQBG-UHFFFAOYSA-N 2 2 328.460 3.371 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001019566039 1317293745 /nfs/dbraw/zinc/29/37/45/1317293745.db2.gz OUVSUIPTSZSVSG-YJBOKZPZSA-N 2 2 340.471 3.027 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000957411475 1317341797 /nfs/dbraw/zinc/34/17/97/1317341797.db2.gz FSACHUIAFCOKID-OALUTQOASA-N 2 2 349.494 3.007 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000957656936 1317528315 /nfs/dbraw/zinc/52/83/15/1317528315.db2.gz TZHGHFQANBFGFE-SFHVURJKSA-N 2 2 343.515 3.111 20 0 EGADLP COC(=O)c1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c(C)c1 ZINC000902742280 1317611158 /nfs/dbraw/zinc/61/11/58/1317611158.db2.gz MXUDMBZYFQPBNV-OAHLLOKOSA-N 2 2 341.455 3.208 20 0 EGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(F)c(F)c1 ZINC000903131209 1317660277 /nfs/dbraw/zinc/66/02/77/1317660277.db2.gz HHNZTXFUOFXBLG-QGGWKKEGSA-N 2 2 336.426 3.400 20 0 EGADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(F)c(F)c1 ZINC000903131209 1317660282 /nfs/dbraw/zinc/66/02/82/1317660282.db2.gz HHNZTXFUOFXBLG-QGGWKKEGSA-N 2 2 336.426 3.400 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245711 1317681098 /nfs/dbraw/zinc/68/10/98/1317681098.db2.gz OLCVHUFMSWQDAG-PXNSSMCTSA-N 2 2 345.531 3.334 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245711 1317681104 /nfs/dbraw/zinc/68/11/04/1317681104.db2.gz OLCVHUFMSWQDAG-PXNSSMCTSA-N 2 2 345.531 3.334 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812905 1317736183 /nfs/dbraw/zinc/73/61/83/1317736183.db2.gz AMBUZYMIXAGZFP-GOSISDBHSA-N 2 2 343.515 3.479 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812905 1317736188 /nfs/dbraw/zinc/73/61/88/1317736188.db2.gz AMBUZYMIXAGZFP-GOSISDBHSA-N 2 2 343.515 3.479 20 0 EGADLP COc1ccc(C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)C2CC2)c(OC)c1 ZINC000903910198 1317747543 /nfs/dbraw/zinc/74/75/43/1317747543.db2.gz KIZHWTYPKNBXIH-WFASDCNBSA-N 2 2 342.430 3.287 20 0 EGADLP COc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H](C)C2CC2)c(OC)c1 ZINC000903910198 1317747551 /nfs/dbraw/zinc/74/75/51/1317747551.db2.gz KIZHWTYPKNBXIH-WFASDCNBSA-N 2 2 342.430 3.287 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000858244996 1328721387 /nfs/dbraw/zinc/72/13/87/1328721387.db2.gz AGAZKYWCOHZHAV-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000858244996 1328721390 /nfs/dbraw/zinc/72/13/90/1328721390.db2.gz AGAZKYWCOHZHAV-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000904272132 1317821248 /nfs/dbraw/zinc/82/12/48/1317821248.db2.gz KVODLEZNCDSDRI-MRXNPFEDSA-N 2 2 349.438 3.402 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000904272132 1317821257 /nfs/dbraw/zinc/82/12/57/1317821257.db2.gz KVODLEZNCDSDRI-MRXNPFEDSA-N 2 2 349.438 3.402 20 0 EGADLP CCCCN(C)C(=O)C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904313245 1317828894 /nfs/dbraw/zinc/82/88/94/1317828894.db2.gz XPJVQPLPDRDKGW-KRWDZBQOSA-N 2 2 325.541 3.111 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000904326796 1317831421 /nfs/dbraw/zinc/83/14/21/1317831421.db2.gz SKZIVBDMNHIDLB-SJLPKXTDSA-N 2 2 326.525 3.190 20 0 EGADLP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326400 1317831907 /nfs/dbraw/zinc/83/19/07/1317831907.db2.gz ITGODPMGKAJRHA-RTWAWAEBSA-N 3 2 329.532 3.220 20 0 EGADLP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326400 1317831915 /nfs/dbraw/zinc/83/19/15/1317831915.db2.gz ITGODPMGKAJRHA-RTWAWAEBSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326400 1317831925 /nfs/dbraw/zinc/83/19/25/1317831925.db2.gz ITGODPMGKAJRHA-RTWAWAEBSA-N 3 2 329.532 3.220 20 0 EGADLP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904326400 1317831935 /nfs/dbraw/zinc/83/19/35/1317831935.db2.gz ITGODPMGKAJRHA-RTWAWAEBSA-N 3 2 329.532 3.220 20 0 EGADLP Cc1ccc2[nH+]cc(CN(CCc3ccccc3)CC[NH+](C)C)n2c1 ZINC000809730932 1317881661 /nfs/dbraw/zinc/88/16/61/1317881661.db2.gz KTTWWASZCMCBKK-UHFFFAOYSA-N 2 2 336.483 3.249 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001020819411 1317947898 /nfs/dbraw/zinc/94/78/98/1317947898.db2.gz YCPWMSAFSOOXBM-GWEOLNPGSA-N 2 2 346.519 3.042 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cnc([C@H]3CCCC[NH2+]3)nc2)c1 ZINC000906171110 1318049858 /nfs/dbraw/zinc/04/98/58/1318049858.db2.gz QMBSYXSTGJROHD-GOSISDBHSA-N 2 2 337.402 3.342 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001021420989 1318242093 /nfs/dbraw/zinc/24/20/93/1318242093.db2.gz ANYRUIOGNWIJTL-AYHJJNSGSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001021420989 1318242102 /nfs/dbraw/zinc/24/21/02/1318242102.db2.gz ANYRUIOGNWIJTL-AYHJJNSGSA-N 2 2 344.503 3.034 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615342 1318464350 /nfs/dbraw/zinc/46/43/50/1318464350.db2.gz XDUYRYUGARQWAJ-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615342 1318464356 /nfs/dbraw/zinc/46/43/56/1318464356.db2.gz XDUYRYUGARQWAJ-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000813784888 1318632096 /nfs/dbraw/zinc/63/20/96/1318632096.db2.gz XPBNABSWWDMHEH-GFCCVEGCSA-N 2 2 338.858 3.261 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671438 1318786670 /nfs/dbraw/zinc/78/66/70/1318786670.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000960671438 1318786672 /nfs/dbraw/zinc/78/66/72/1318786672.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671438 1318786676 /nfs/dbraw/zinc/78/66/76/1318786676.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000960671438 1318786680 /nfs/dbraw/zinc/78/66/80/1318786680.db2.gz LAQAKNIBKMQADX-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960744224 1318846404 /nfs/dbraw/zinc/84/64/04/1318846404.db2.gz YWIVLKJPBVRLKN-SFHVURJKSA-N 2 2 348.450 3.071 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC000960744224 1318846429 /nfs/dbraw/zinc/84/64/29/1318846429.db2.gz YWIVLKJPBVRLKN-SFHVURJKSA-N 2 2 348.450 3.071 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000960773704 1318875264 /nfs/dbraw/zinc/87/52/64/1318875264.db2.gz HOTZRTHHLCOKMK-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000960773704 1318875270 /nfs/dbraw/zinc/87/52/70/1318875270.db2.gz HOTZRTHHLCOKMK-CTWPCTMYSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CC3=CCCCC3)C2)c(C)[nH+]1 ZINC001022462193 1318950755 /nfs/dbraw/zinc/95/07/55/1318950755.db2.gz MUCQSQRYAJWGIH-HDICACEKSA-N 2 2 327.472 3.358 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915977 1319062826 /nfs/dbraw/zinc/06/28/26/1319062826.db2.gz ZKIPPLNFWBTDTC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915977 1319062833 /nfs/dbraw/zinc/06/28/33/1319062833.db2.gz ZKIPPLNFWBTDTC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915977 1319062841 /nfs/dbraw/zinc/06/28/41/1319062841.db2.gz ZKIPPLNFWBTDTC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915977 1319062849 /nfs/dbraw/zinc/06/28/49/1319062849.db2.gz ZKIPPLNFWBTDTC-APWZRJJASA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000930178925 1328805352 /nfs/dbraw/zinc/80/53/52/1328805352.db2.gz JKJMYBKPXICICT-UHFFFAOYSA-N 2 2 348.450 3.219 20 0 EGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000930178925 1328805354 /nfs/dbraw/zinc/80/53/54/1328805354.db2.gz JKJMYBKPXICICT-UHFFFAOYSA-N 2 2 348.450 3.219 20 0 EGADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000817955560 1319476560 /nfs/dbraw/zinc/47/65/60/1319476560.db2.gz YWMNESYXSOSXKH-BEFAXECRSA-N 2 2 339.439 3.384 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000817960902 1319477641 /nfs/dbraw/zinc/47/76/41/1319477641.db2.gz TVHYWONLRONEOX-MRXNPFEDSA-N 2 2 344.503 3.179 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445546 1319543919 /nfs/dbraw/zinc/54/39/19/1319543919.db2.gz UEJLATQJASABNP-OAHLLOKOSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001023445546 1319543926 /nfs/dbraw/zinc/54/39/26/1319543926.db2.gz UEJLATQJASABNP-OAHLLOKOSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)Oc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000818965032 1319594978 /nfs/dbraw/zinc/59/49/78/1319594978.db2.gz ODJRBMZNJBDTDC-HXUWFJFHSA-N 2 2 342.483 3.056 20 0 EGADLP CC(C)Oc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000818965032 1319594989 /nfs/dbraw/zinc/59/49/89/1319594989.db2.gz ODJRBMZNJBDTDC-HXUWFJFHSA-N 2 2 342.483 3.056 20 0 EGADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000819059688 1319624006 /nfs/dbraw/zinc/62/40/06/1319624006.db2.gz ZRRCHSZJXJSBCS-HNNXBMFYSA-N 2 2 328.243 3.293 20 0 EGADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1ccccc1C(F)(F)F ZINC000819085021 1319630953 /nfs/dbraw/zinc/63/09/53/1319630953.db2.gz HQBLABNOMBOERF-HNNXBMFYSA-N 2 2 339.361 3.226 20 0 EGADLP CN(C)c1ccc(N2CCC([NH2+]CC[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000825325272 1320327785 /nfs/dbraw/zinc/32/77/85/1320327785.db2.gz ACFGLHWTXLCJJR-UHFFFAOYSA-N 2 2 344.547 3.185 20 0 EGADLP CN(C)c1ccc(N2CCC([NH2+]CC[N@H+]3CCCC3(C)C)CC2)cc1 ZINC000825325272 1320327789 /nfs/dbraw/zinc/32/77/89/1320327789.db2.gz ACFGLHWTXLCJJR-UHFFFAOYSA-N 2 2 344.547 3.185 20 0 EGADLP CC(C)c1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827352905 1320447195 /nfs/dbraw/zinc/44/71/95/1320447195.db2.gz TVOXTNWWXXVYSG-GOSISDBHSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827352905 1320447198 /nfs/dbraw/zinc/44/71/98/1320447198.db2.gz TVOXTNWWXXVYSG-GOSISDBHSA-N 2 2 343.515 3.051 20 0 EGADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)O1 ZINC000840871932 1321166107 /nfs/dbraw/zinc/16/61/07/1321166107.db2.gz IJLYXOUKQHVFOU-IKGGRYGDSA-N 2 2 331.504 3.125 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000841037917 1321206768 /nfs/dbraw/zinc/20/67/68/1321206768.db2.gz RLHZRPPBMINAER-PMPSAXMXSA-N 2 2 340.414 3.033 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)OC[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829897 1321437586 /nfs/dbraw/zinc/43/75/86/1321437586.db2.gz IMAJLCYBBBCOLT-HKUYNNGSSA-N 2 2 332.488 3.343 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)OC[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829897 1321437589 /nfs/dbraw/zinc/43/75/89/1321437589.db2.gz IMAJLCYBBBCOLT-HKUYNNGSSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@H](C(=O)OC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000842829897 1321437592 /nfs/dbraw/zinc/43/75/92/1321437592.db2.gz IMAJLCYBBBCOLT-HKUYNNGSSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@H](C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000842829897 1321437595 /nfs/dbraw/zinc/43/75/95/1321437595.db2.gz IMAJLCYBBBCOLT-HKUYNNGSSA-N 2 2 332.488 3.343 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849066590 1322064579 /nfs/dbraw/zinc/06/45/79/1322064579.db2.gz HCQFVRXIFUMKGT-UHFFFAOYSA-N 2 2 334.427 3.329 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCCO2 ZINC000850423287 1322244929 /nfs/dbraw/zinc/24/49/29/1322244929.db2.gz SFQDMRDADKCFTO-HNNXBMFYSA-N 2 2 325.456 3.438 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000850494394 1322257689 /nfs/dbraw/zinc/25/76/89/1322257689.db2.gz OOGNLFMDNMJRIX-QLFBSQMISA-N 2 2 346.462 3.206 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000850494394 1322257695 /nfs/dbraw/zinc/25/76/95/1322257695.db2.gz OOGNLFMDNMJRIX-QLFBSQMISA-N 2 2 346.462 3.206 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557823 1322267653 /nfs/dbraw/zinc/26/76/53/1322267653.db2.gz YCZFBDFJDJEKKN-ROUUACIJSA-N 2 2 345.487 3.114 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557823 1322267654 /nfs/dbraw/zinc/26/76/54/1322267654.db2.gz YCZFBDFJDJEKKN-ROUUACIJSA-N 2 2 345.487 3.114 20 0 EGADLP Cc1cc(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)cc(C)[nH+]1 ZINC000922927406 1322651938 /nfs/dbraw/zinc/65/19/38/1322651938.db2.gz JHDJNMHRMQCAGW-UHFFFAOYSA-N 2 2 344.503 3.295 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)n1 ZINC000924674305 1323105945 /nfs/dbraw/zinc/10/59/45/1323105945.db2.gz ZXXHQXGZCAZAOT-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cnn(C)n1 ZINC000924674305 1323105950 /nfs/dbraw/zinc/10/59/50/1323105950.db2.gz ZXXHQXGZCAZAOT-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000924714103 1323127855 /nfs/dbraw/zinc/12/78/55/1323127855.db2.gz HXFSKGZBUTYMKH-RTWAWAEBSA-N 2 2 345.506 3.397 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000924714103 1323127861 /nfs/dbraw/zinc/12/78/61/1323127861.db2.gz HXFSKGZBUTYMKH-RTWAWAEBSA-N 2 2 345.506 3.397 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1F ZINC000924805880 1323170021 /nfs/dbraw/zinc/17/00/21/1323170021.db2.gz LQQUYMNSBQQKIT-CDHQVMDDSA-N 2 2 349.469 3.398 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1F ZINC000924805880 1323170023 /nfs/dbraw/zinc/17/00/23/1323170023.db2.gz LQQUYMNSBQQKIT-CDHQVMDDSA-N 2 2 349.469 3.398 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c2ncnn21 ZINC000924964673 1323230083 /nfs/dbraw/zinc/23/00/83/1323230083.db2.gz SEZSULFVWUFCQR-QFBILLFUSA-N 2 2 339.487 3.306 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439766 1323402849 /nfs/dbraw/zinc/40/28/49/1323402849.db2.gz GSJMRANBXSFPNC-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024439766 1323402864 /nfs/dbraw/zinc/40/28/64/1323402864.db2.gz GSJMRANBXSFPNC-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024989749 1323815828 /nfs/dbraw/zinc/81/58/28/1323815828.db2.gz ZJYILCJEOUMNET-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001024989749 1323815835 /nfs/dbraw/zinc/81/58/35/1323815835.db2.gz ZJYILCJEOUMNET-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001025103740 1323896891 /nfs/dbraw/zinc/89/68/91/1323896891.db2.gz ZWAIVEFSEGKDAA-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)c1c[nH+]c[nH]1 ZINC001025138455 1323917550 /nfs/dbraw/zinc/91/75/50/1323917550.db2.gz OCYYXFHQVHGLEV-MRXNPFEDSA-N 2 2 346.519 3.094 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286798 1324107452 /nfs/dbraw/zinc/10/74/52/1324107452.db2.gz AVBRGKJUWMWKHE-IAGOWNOFSA-N 2 2 346.519 3.333 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286798 1324107456 /nfs/dbraw/zinc/10/74/56/1324107456.db2.gz AVBRGKJUWMWKHE-IAGOWNOFSA-N 2 2 346.519 3.333 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290069 1324115065 /nfs/dbraw/zinc/11/50/65/1324115065.db2.gz XOVVTMAEXDISIO-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025290069 1324115068 /nfs/dbraw/zinc/11/50/68/1324115068.db2.gz XOVVTMAEXDISIO-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001025458267 1324299473 /nfs/dbraw/zinc/29/94/73/1324299473.db2.gz HLPPVSCXVFARKS-HOCLYGCPSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001025458267 1324299480 /nfs/dbraw/zinc/29/94/80/1324299480.db2.gz HLPPVSCXVFARKS-HOCLYGCPSA-N 2 2 340.471 3.193 20 0 EGADLP [NH3+][C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512980 1325186061 /nfs/dbraw/zinc/18/60/61/1325186061.db2.gz GOLJJFGJUXWVSN-ZWKOTPCHSA-N 2 2 333.907 3.164 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC(C)C)C1 ZINC000963408540 1325210350 /nfs/dbraw/zinc/21/03/50/1325210350.db2.gz VCFLSSFGZYKWEN-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC000963408540 1325210358 /nfs/dbraw/zinc/21/03/58/1325210358.db2.gz VCFLSSFGZYKWEN-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925592157 1325225380 /nfs/dbraw/zinc/22/53/80/1325225380.db2.gz UZHCSYKTCHREJH-UIFIKXQLSA-N 2 2 342.531 3.214 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925592157 1325225385 /nfs/dbraw/zinc/22/53/85/1325225385.db2.gz UZHCSYKTCHREJH-UIFIKXQLSA-N 2 2 342.531 3.214 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631701 1325240107 /nfs/dbraw/zinc/24/01/07/1325240107.db2.gz WPLRNXPEPGPXTD-ZUXXIDCJSA-N 2 2 339.886 3.202 20 0 EGADLP Cc1noc(C)c1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905709 1325352096 /nfs/dbraw/zinc/35/20/96/1325352096.db2.gz IYDSMJSUKWJIJS-ZDUSSCGKSA-N 2 2 343.475 3.390 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(N2CCCC2)n1 ZINC000926121099 1325435976 /nfs/dbraw/zinc/43/59/76/1325435976.db2.gz LMBFIQLIFCFFSQ-MOPGFXCFSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(N2CCCC2)n1 ZINC000926121099 1325435981 /nfs/dbraw/zinc/43/59/81/1325435981.db2.gz LMBFIQLIFCFFSQ-MOPGFXCFSA-N 2 2 328.504 3.097 20 0 EGADLP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001027388359 1325589766 /nfs/dbraw/zinc/58/97/66/1325589766.db2.gz PBVKNTHHNYENIX-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001027388359 1325589772 /nfs/dbraw/zinc/58/97/72/1325589772.db2.gz PBVKNTHHNYENIX-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CCC2)cc1 ZINC000927065561 1327837656 /nfs/dbraw/zinc/83/76/56/1327837656.db2.gz GENLCTROHBZRRZ-FPOVZHCZSA-N 2 2 344.499 3.379 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC3)nn2C)CC1 ZINC000927100064 1327860988 /nfs/dbraw/zinc/86/09/88/1327860988.db2.gz SHKNUJNNDANFDL-QRWLVFNGSA-N 2 2 330.520 3.430 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC(C)CC2)C1 ZINC001027664363 1328054546 /nfs/dbraw/zinc/05/45/46/1328054546.db2.gz SUBMXRCXVAJZAX-VMWRSERWSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001027664363 1328054560 /nfs/dbraw/zinc/05/45/60/1328054560.db2.gz SUBMXRCXVAJZAX-VMWRSERWSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH]c(CN2CCC[N@H+](CCCc3ccccc3)CC2)[nH+]c1C ZINC000862211374 1329465881 /nfs/dbraw/zinc/46/58/81/1329465881.db2.gz HYRKZRQWEHFTMJ-UHFFFAOYSA-N 2 2 326.488 3.167 20 0 EGADLP Cc1[nH]c(CN2CCC[N@@H+](CCCc3ccccc3)CC2)[nH+]c1C ZINC000862211374 1329465883 /nfs/dbraw/zinc/46/58/83/1329465883.db2.gz HYRKZRQWEHFTMJ-UHFFFAOYSA-N 2 2 326.488 3.167 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccnc1Br)C[NH+]1CCCCC1 ZINC000865419744 1329694635 /nfs/dbraw/zinc/69/46/35/1329694635.db2.gz ZDBHJNZTSKWAIT-ZDUSSCGKSA-N 2 2 326.282 3.056 20 0 EGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000865483345 1329703592 /nfs/dbraw/zinc/70/35/92/1329703592.db2.gz IGGLMFCEARFLGG-ZIAGYGMSSA-N 2 2 326.868 3.320 20 0 EGADLP CC(C)[NH2+][C@H]1CCCN(c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865488163 1329704546 /nfs/dbraw/zinc/70/45/46/1329704546.db2.gz LAPZWJXMTUGCDG-KRWDZBQOSA-N 2 2 325.460 3.056 20 0 EGADLP Cc1nc(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)c(C)c(C)[nH+]1 ZINC000866017178 1329759171 /nfs/dbraw/zinc/75/91/71/1329759171.db2.gz IYCQMYFQJUHZFU-UHFFFAOYSA-N 2 2 336.483 3.385 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271529 1330088565 /nfs/dbraw/zinc/08/85/65/1330088565.db2.gz MYCMZKSDKMOMJM-SFTDATJTSA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271529 1330088568 /nfs/dbraw/zinc/08/85/68/1330088568.db2.gz MYCMZKSDKMOMJM-SFTDATJTSA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000866470567 1330116438 /nfs/dbraw/zinc/11/64/38/1330116438.db2.gz ZEQRJTDKKPOZMG-MRXNPFEDSA-N 2 2 333.505 3.056 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061892 1331314044 /nfs/dbraw/zinc/31/40/44/1331314044.db2.gz SQPLQJLCMINBCL-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061892 1331314049 /nfs/dbraw/zinc/31/40/49/1331314049.db2.gz SQPLQJLCMINBCL-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537444 1331962973 /nfs/dbraw/zinc/96/29/73/1331962973.db2.gz BBIDGHYALBOLTQ-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537444 1331962975 /nfs/dbraw/zinc/96/29/75/1331962975.db2.gz BBIDGHYALBOLTQ-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943874974 1332286632 /nfs/dbraw/zinc/28/66/32/1332286632.db2.gz AAFSVDFPHLGTJM-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943874974 1332286633 /nfs/dbraw/zinc/28/66/33/1332286633.db2.gz AAFSVDFPHLGTJM-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449925 1333132251 /nfs/dbraw/zinc/13/22/51/1333132251.db2.gz LMAWYTMYGRZHFA-HOCLYGCPSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947449925 1333132254 /nfs/dbraw/zinc/13/22/54/1333132254.db2.gz LMAWYTMYGRZHFA-HOCLYGCPSA-N 2 2 328.460 3.192 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000947540525 1333164399 /nfs/dbraw/zinc/16/43/99/1333164399.db2.gz VAPNQXQYVZSMLJ-FUHWJXTLSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000947540525 1333164401 /nfs/dbraw/zinc/16/44/01/1333164401.db2.gz VAPNQXQYVZSMLJ-FUHWJXTLSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CC1CCCC1 ZINC000947539694 1333164430 /nfs/dbraw/zinc/16/44/30/1333164430.db2.gz GGEQFQMKVKMHPA-RDJZCZTQSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CC1CCCC1 ZINC000947539694 1333164431 /nfs/dbraw/zinc/16/44/31/1333164431.db2.gz GGEQFQMKVKMHPA-RDJZCZTQSA-N 2 2 340.471 3.107 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000948603365 1333592585 /nfs/dbraw/zinc/59/25/85/1333592585.db2.gz FEXHKVUUHFPLNR-UHFFFAOYSA-N 2 2 349.544 3.148 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1C ZINC000968596384 1335977983 /nfs/dbraw/zinc/97/79/83/1335977983.db2.gz ISDQANMYOFVDBG-KXBFYZLASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1C ZINC000968596384 1335977985 /nfs/dbraw/zinc/97/79/85/1335977985.db2.gz ISDQANMYOFVDBG-KXBFYZLASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC001205304254 1370714308 /nfs/dbraw/zinc/71/43/08/1370714308.db2.gz NIOCFZRDGTWSHJ-MFKMUULPSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC001205304254 1370714312 /nfs/dbraw/zinc/71/43/12/1370714312.db2.gz NIOCFZRDGTWSHJ-MFKMUULPSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1F ZINC001205915827 1370909709 /nfs/dbraw/zinc/90/97/09/1370909709.db2.gz QSYGMDRKTXKADT-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1F ZINC001205915827 1370909712 /nfs/dbraw/zinc/90/97/12/1370909712.db2.gz QSYGMDRKTXKADT-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Br ZINC001206631889 1371114278 /nfs/dbraw/zinc/11/42/78/1371114278.db2.gz CADRJSSBNSPJGH-ZDUSSCGKSA-N 2 2 327.266 3.019 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001029495218 1341000619 /nfs/dbraw/zinc/00/06/19/1341000619.db2.gz DNCGHAJUJLMCOQ-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001029495218 1341000620 /nfs/dbraw/zinc/00/06/20/1341000620.db2.gz DNCGHAJUJLMCOQ-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP C[N@H+](C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001029723543 1341054526 /nfs/dbraw/zinc/05/45/26/1341054526.db2.gz PMWHJYZTJNINBG-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001029723543 1341054528 /nfs/dbraw/zinc/05/45/28/1341054528.db2.gz PMWHJYZTJNINBG-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001029789539 1341073318 /nfs/dbraw/zinc/07/33/18/1341073318.db2.gz XEEWGBOCYSTQJZ-SFHVURJKSA-N 2 2 329.488 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001029789539 1341073319 /nfs/dbraw/zinc/07/33/19/1341073319.db2.gz XEEWGBOCYSTQJZ-SFHVURJKSA-N 2 2 329.488 3.201 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854918 1341096331 /nfs/dbraw/zinc/09/63/31/1341096331.db2.gz BKPIMPUZXXJHJM-PKOBYXMFSA-N 2 2 344.503 3.115 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001029854918 1341096332 /nfs/dbraw/zinc/09/63/32/1341096332.db2.gz BKPIMPUZXXJHJM-PKOBYXMFSA-N 2 2 344.503 3.115 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032233 1341162233 /nfs/dbraw/zinc/16/22/33/1341162233.db2.gz IYHZWGHBJZVBJY-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032233 1341162235 /nfs/dbraw/zinc/16/22/35/1341162235.db2.gz IYHZWGHBJZVBJY-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032233 1341162237 /nfs/dbraw/zinc/16/22/37/1341162237.db2.gz IYHZWGHBJZVBJY-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032233 1341162239 /nfs/dbraw/zinc/16/22/39/1341162239.db2.gz IYHZWGHBJZVBJY-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)c1ccccc1C[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618307 1341200859 /nfs/dbraw/zinc/20/08/59/1341200859.db2.gz DCIVILCTFNIHLE-UHFFFAOYSA-N 2 2 348.450 3.072 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1 ZINC001030956036 1341255655 /nfs/dbraw/zinc/25/56/55/1341255655.db2.gz QPUIZQKHACSONV-SJORKVTESA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1 ZINC001030956036 1341255656 /nfs/dbraw/zinc/25/56/56/1341255656.db2.gz QPUIZQKHACSONV-SJORKVTESA-N 2 2 343.515 3.156 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NC2C[NH+](CCCC3CCC3)C2)o1 ZINC001031468570 1341351872 /nfs/dbraw/zinc/35/18/72/1341351872.db2.gz XERSPJFOFQAZAQ-UHFFFAOYSA-N 2 2 347.503 3.116 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001033592392 1341887872 /nfs/dbraw/zinc/88/78/72/1341887872.db2.gz ZFAMVRWZVXOPIV-KRWDZBQOSA-N 2 2 344.503 3.111 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001033592392 1341887875 /nfs/dbraw/zinc/88/78/75/1341887875.db2.gz ZFAMVRWZVXOPIV-KRWDZBQOSA-N 2 2 344.503 3.111 20 0 EGADLP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001036442774 1343490324 /nfs/dbraw/zinc/49/03/24/1343490324.db2.gz QHSMLXSPEVZLHP-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001036475778 1343506120 /nfs/dbraw/zinc/50/61/20/1343506120.db2.gz XVDFOLGGKMOCHC-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001036475779 1343506236 /nfs/dbraw/zinc/50/62/36/1343506236.db2.gz XVDFOLGGKMOCHC-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036544270 1343546729 /nfs/dbraw/zinc/54/67/29/1343546729.db2.gz DAMRVZWOPUJGCX-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001036600444 1343570853 /nfs/dbraw/zinc/57/08/53/1343570853.db2.gz AHRSDZURBMNTIR-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1cccc2[nH+]ccn21 ZINC001037212377 1344045982 /nfs/dbraw/zinc/04/59/82/1344045982.db2.gz GGGKBZFRMGRIHL-DLBZAZTESA-N 2 2 340.471 3.013 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001037247017 1344066749 /nfs/dbraw/zinc/06/67/49/1344066749.db2.gz ZUNYCPQXKSVUER-ROUUACIJSA-N 2 2 346.519 3.187 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037848707 1344136050 /nfs/dbraw/zinc/13/60/50/1344136050.db2.gz CPFSVMSOMYNDKD-PKOBYXMFSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037848707 1344136054 /nfs/dbraw/zinc/13/60/54/1344136054.db2.gz CPFSVMSOMYNDKD-PKOBYXMFSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037936151 1344190940 /nfs/dbraw/zinc/19/09/40/1344190940.db2.gz UHXKBNXMOZKJLT-MJGOQNOKSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037936149 1344191047 /nfs/dbraw/zinc/19/10/47/1344191047.db2.gz UHXKBNXMOZKJLT-HKUYNNGSSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414159 1344417395 /nfs/dbraw/zinc/41/73/95/1344417395.db2.gz AEJJUBABMZUCNU-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1CCC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414159 1344417398 /nfs/dbraw/zinc/41/73/98/1344417398.db2.gz AEJJUBABMZUCNU-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001039304873 1345005106 /nfs/dbraw/zinc/00/51/06/1345005106.db2.gz FLRAIKYZBNJPSM-JLYLLQBASA-N 2 2 338.455 3.008 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040181274 1345367687 /nfs/dbraw/zinc/36/76/87/1345367687.db2.gz NWYZKEPZDDQLOO-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040181274 1345367689 /nfs/dbraw/zinc/36/76/89/1345367689.db2.gz NWYZKEPZDDQLOO-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040265353 1345403204 /nfs/dbraw/zinc/40/32/04/1345403204.db2.gz ZFMFXNMCZXYTPV-FQEVSTJZSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040265353 1345403207 /nfs/dbraw/zinc/40/32/07/1345403207.db2.gz ZFMFXNMCZXYTPV-FQEVSTJZSA-N 2 2 340.471 3.147 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407816 1345720003 /nfs/dbraw/zinc/72/00/03/1345720003.db2.gz RPAWAOKDGUFVFE-FOIQADDNSA-N 2 2 340.471 3.147 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407816 1345720007 /nfs/dbraw/zinc/72/00/07/1345720007.db2.gz RPAWAOKDGUFVFE-FOIQADDNSA-N 2 2 340.471 3.147 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042312925 1346028640 /nfs/dbraw/zinc/02/86/40/1346028640.db2.gz GNKUTVJECGYELY-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001042312925 1346028642 /nfs/dbraw/zinc/02/86/42/1346028642.db2.gz GNKUTVJECGYELY-DLBZAZTESA-N 2 2 346.519 3.046 20 0 EGADLP CN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001042821764 1346119594 /nfs/dbraw/zinc/11/95/94/1346119594.db2.gz FWFMZMGGJSJMQZ-UHFFFAOYSA-N 2 2 349.544 3.002 20 0 EGADLP CN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CC2CCCCC2)C1 ZINC001042831826 1346120148 /nfs/dbraw/zinc/12/01/48/1346120148.db2.gz YCENZHXQCOVZBW-UHFFFAOYSA-N 2 2 349.544 3.146 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001042848145 1346121077 /nfs/dbraw/zinc/12/10/77/1346121077.db2.gz LZSSFAIIFXXPST-XLIONFOSSA-N 2 2 343.515 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001042848145 1346121079 /nfs/dbraw/zinc/12/10/79/1346121079.db2.gz LZSSFAIIFXXPST-XLIONFOSSA-N 2 2 343.515 3.073 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001043351343 1346168792 /nfs/dbraw/zinc/16/87/92/1346168792.db2.gz FKKXHBMXGQDNIS-INIZCTEOSA-N 2 2 348.450 3.160 20 0 EGADLP C[C@@H](C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCCC1 ZINC001044004164 1346232768 /nfs/dbraw/zinc/23/27/68/1346232768.db2.gz CEJDQRVJOCZJDI-ROUUACIJSA-N 2 2 343.515 3.155 20 0 EGADLP CCCC[NH+]1CCC(C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001045514464 1346614345 /nfs/dbraw/zinc/61/43/45/1346614345.db2.gz LSPTYHPZQBZJNW-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947616 1346783327 /nfs/dbraw/zinc/78/33/27/1346783327.db2.gz NYCHAVKFTLKKTL-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001045947616 1346783328 /nfs/dbraw/zinc/78/33/28/1346783328.db2.gz NYCHAVKFTLKKTL-FQEVSTJZSA-N 2 2 346.519 3.041 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046413720 1346966853 /nfs/dbraw/zinc/96/68/53/1346966853.db2.gz ALLPPYDQFDPYGF-OAQYLSRUSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001046413720 1346966855 /nfs/dbraw/zinc/96/68/55/1346966855.db2.gz ALLPPYDQFDPYGF-OAQYLSRUSA-N 2 2 348.450 3.266 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757706 1348004439 /nfs/dbraw/zinc/00/44/39/1348004439.db2.gz BMQNSTKSKSUALE-NZSAHSFTSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001049757706 1348004441 /nfs/dbraw/zinc/00/44/41/1348004441.db2.gz BMQNSTKSKSUALE-NZSAHSFTSA-N 2 2 346.519 3.336 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)c[nH+]1 ZINC001052488934 1348555271 /nfs/dbraw/zinc/55/52/71/1348555271.db2.gz KSQMLOLTPIYARP-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)c[nH+]1 ZINC001052488934 1348555272 /nfs/dbraw/zinc/55/52/72/1348555272.db2.gz KSQMLOLTPIYARP-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499373 1348559991 /nfs/dbraw/zinc/55/99/91/1348559991.db2.gz UTEQWAAGNHVCSC-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499373 1348559993 /nfs/dbraw/zinc/55/99/93/1348559993.db2.gz UTEQWAAGNHVCSC-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173906 1349175271 /nfs/dbraw/zinc/17/52/71/1349175271.db2.gz VTMIRCKRQJBGQY-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173906 1349175273 /nfs/dbraw/zinc/17/52/73/1349175273.db2.gz VTMIRCKRQJBGQY-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001054798358 1349465176 /nfs/dbraw/zinc/46/51/76/1349465176.db2.gz UCINQVHAGDHXTM-LIRRHRJNSA-N 2 2 338.455 3.113 20 0 EGADLP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609219 1354793957 /nfs/dbraw/zinc/79/39/57/1354793957.db2.gz HIRLOMYGHINXQK-GDBMZVCRSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001071609219 1354793960 /nfs/dbraw/zinc/79/39/60/1354793960.db2.gz HIRLOMYGHINXQK-GDBMZVCRSA-N 2 2 326.444 3.112 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC001071610947 1354795287 /nfs/dbraw/zinc/79/52/87/1354795287.db2.gz YHZHPLAJMRMNCH-CRAIPNDOSA-N 2 2 348.450 3.346 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC001071610947 1354795289 /nfs/dbraw/zinc/79/52/89/1354795289.db2.gz YHZHPLAJMRMNCH-CRAIPNDOSA-N 2 2 348.450 3.346 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001183496224 1387313337 /nfs/dbraw/zinc/31/33/37/1387313337.db2.gz LCVMQTJWKBDAQG-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001085406319 1358491874 /nfs/dbraw/zinc/49/18/74/1358491874.db2.gz ZMUCOKZSYRXXCP-QZTJIDSGSA-N 2 2 346.519 3.248 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001085439459 1358500589 /nfs/dbraw/zinc/50/05/89/1358500589.db2.gz XKPCIRQRWBWGBV-GUDVDZBRSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086919968 1359247211 /nfs/dbraw/zinc/24/72/11/1359247211.db2.gz CRMUSIJQEUJLMI-KRWDZBQOSA-N 2 2 344.503 3.012 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1CC(C)C ZINC001087675773 1359584950 /nfs/dbraw/zinc/58/49/50/1359584950.db2.gz BSQCWMQPYYVJRZ-RBUKOAKNSA-N 2 2 340.471 3.111 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1CC(C)C ZINC001087675773 1359584953 /nfs/dbraw/zinc/58/49/53/1359584953.db2.gz BSQCWMQPYYVJRZ-RBUKOAKNSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089547254 1360501705 /nfs/dbraw/zinc/50/17/05/1360501705.db2.gz AOHLNURQRGQSST-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089547254 1360501706 /nfs/dbraw/zinc/50/17/06/1360501706.db2.gz AOHLNURQRGQSST-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089547255 1360501734 /nfs/dbraw/zinc/50/17/34/1360501734.db2.gz AOHLNURQRGQSST-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)CC(C)(C)C1 ZINC001089547255 1360501735 /nfs/dbraw/zinc/50/17/35/1360501735.db2.gz AOHLNURQRGQSST-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693463 1360599099 /nfs/dbraw/zinc/59/90/99/1360599099.db2.gz KVABXECBIVMCSD-JKSUJKDBSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693463 1360599102 /nfs/dbraw/zinc/59/91/02/1360599102.db2.gz KVABXECBIVMCSD-JKSUJKDBSA-N 2 2 346.519 3.092 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693819 1360599240 /nfs/dbraw/zinc/59/92/40/1360599240.db2.gz PGTZWFOPSOWFSI-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001089693819 1360599241 /nfs/dbraw/zinc/59/92/41/1360599241.db2.gz PGTZWFOPSOWFSI-JKSUJKDBSA-N 2 2 346.519 3.237 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184797757 1387542074 /nfs/dbraw/zinc/54/20/74/1387542074.db2.gz FMERUKDJCZGVRB-IRXDYDNUSA-N 2 2 342.487 3.212 20 0 EGADLP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001184797755 1387541893 /nfs/dbraw/zinc/54/18/93/1387541893.db2.gz FMERUKDJCZGVRB-DLBZAZTESA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098832533 1363486322 /nfs/dbraw/zinc/48/63/22/1363486322.db2.gz HPEUXFLYXKIWSI-HKUYNNGSSA-N 2 2 346.519 3.069 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148521 1363656570 /nfs/dbraw/zinc/65/65/70/1363656570.db2.gz FGSGOXKGEWVLMM-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148521 1363656576 /nfs/dbraw/zinc/65/65/76/1363656576.db2.gz FGSGOXKGEWVLMM-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323835 1363749819 /nfs/dbraw/zinc/74/98/19/1363749819.db2.gz BNRPVPZKKXBWGH-TUYSUELWSA-N 2 2 346.519 3.224 20 0 EGADLP CC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099323835 1363749823 /nfs/dbraw/zinc/74/98/23/1363749823.db2.gz BNRPVPZKKXBWGH-TUYSUELWSA-N 2 2 346.519 3.224 20 0 EGADLP CC(C)C[C@H](C(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001100428900 1364110514 /nfs/dbraw/zinc/11/05/14/1364110514.db2.gz RFJPGCLSLKWKAD-DAWZGUTISA-N 2 2 348.535 3.391 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500237 1364137445 /nfs/dbraw/zinc/13/74/45/1364137445.db2.gz CYIIMVHGZOVNBU-UHFFFAOYSA-N 2 2 342.487 3.259 20 0 EGADLP CC/C=C\CC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522541 1364146271 /nfs/dbraw/zinc/14/62/71/1364146271.db2.gz SOWFVBLLEXIRJZ-SREVYHEPSA-N 2 2 329.488 3.461 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101377334 1364535161 /nfs/dbraw/zinc/53/51/61/1364535161.db2.gz ZAPQKTWONOHYEC-GGPKGHCWSA-N 2 2 346.519 3.195 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101377334 1364535165 /nfs/dbraw/zinc/53/51/65/1364535165.db2.gz ZAPQKTWONOHYEC-GGPKGHCWSA-N 2 2 346.519 3.195 20 0 EGADLP CCCCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001101584335 1364635870 /nfs/dbraw/zinc/63/58/70/1364635870.db2.gz MCFODPOTVVMMQP-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185493366 1387731661 /nfs/dbraw/zinc/73/16/61/1387731661.db2.gz UWYCLOOUUUGMJA-IAGOWNOFSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](CC(C)C)C[C@H]2C)c(C)[nH+]1 ZINC001103254727 1365459152 /nfs/dbraw/zinc/45/91/52/1365459152.db2.gz BTYYHIKNAJFMCH-CRAIPNDOSA-N 2 2 331.504 3.351 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)c(C)[nH+]1 ZINC001103254727 1365459157 /nfs/dbraw/zinc/45/91/57/1365459157.db2.gz BTYYHIKNAJFMCH-CRAIPNDOSA-N 2 2 331.504 3.351 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290463 1365475692 /nfs/dbraw/zinc/47/56/92/1365475692.db2.gz QQFUAVRXDPSNHX-IPMKNSEASA-N 2 2 348.535 3.030 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290463 1365475694 /nfs/dbraw/zinc/47/56/94/1365475694.db2.gz QQFUAVRXDPSNHX-IPMKNSEASA-N 2 2 348.535 3.030 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001104436082 1366028070 /nfs/dbraw/zinc/02/80/70/1366028070.db2.gz WZRDVXISRGLLTR-RHSMWYFYSA-N 2 2 335.467 3.054 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738157 1366151265 /nfs/dbraw/zinc/15/12/65/1366151265.db2.gz IUWWIZICOHEWSW-CEXWTWQISA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775893 1366167341 /nfs/dbraw/zinc/16/73/41/1366167341.db2.gz QGEQSYOSZIXTNV-AKBADGPISA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775893 1366167343 /nfs/dbraw/zinc/16/73/43/1366167343.db2.gz QGEQSYOSZIXTNV-AKBADGPISA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104911710 1366220539 /nfs/dbraw/zinc/22/05/39/1366220539.db2.gz DVMKFVVENHDOAJ-IAGOWNOFSA-N 2 2 348.535 3.198 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185787364 1387799198 /nfs/dbraw/zinc/79/91/98/1387799198.db2.gz FVHFVKDGSCKTOL-RTBURBONSA-N 2 2 348.535 3.318 20 0 EGADLP CC[NH2+]CC1([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001105549207 1366524797 /nfs/dbraw/zinc/52/47/97/1366524797.db2.gz DGSJTPZNWWUJJV-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710313 1366777764 /nfs/dbraw/zinc/77/77/64/1366777764.db2.gz GBUGCHZFPYLUMV-YSNLUETFSA-N 2 2 346.519 3.265 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748411 1366787626 /nfs/dbraw/zinc/78/76/26/1366787626.db2.gz ZJDXBJQBXWUCOT-YQHFMZHWSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748411 1366787628 /nfs/dbraw/zinc/78/76/28/1366787628.db2.gz ZJDXBJQBXWUCOT-YQHFMZHWSA-N 2 2 346.519 3.019 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561062 1367044717 /nfs/dbraw/zinc/04/47/17/1367044717.db2.gz BQOMFUPZLVWTCX-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107561062 1367044722 /nfs/dbraw/zinc/04/47/22/1367044722.db2.gz BQOMFUPZLVWTCX-YLJYHZDGSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109705258 1367287671 /nfs/dbraw/zinc/28/76/71/1367287671.db2.gz XDXSIJSSVFUZRT-FZCLSBEQSA-N 2 2 344.503 3.131 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001109705258 1367287676 /nfs/dbraw/zinc/28/76/76/1367287676.db2.gz XDXSIJSSVFUZRT-FZCLSBEQSA-N 2 2 344.503 3.131 20 0 EGADLP CC(C)CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818114 1367358092 /nfs/dbraw/zinc/35/80/92/1367358092.db2.gz OEGASCAJGRZJAB-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818114 1367358096 /nfs/dbraw/zinc/35/80/96/1367358096.db2.gz OEGASCAJGRZJAB-MOPGFXCFSA-N 2 2 348.535 3.439 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC001194906342 1368344295 /nfs/dbraw/zinc/34/42/95/1368344295.db2.gz DHXXIFJULVSKDR-UHFFFAOYSA-N 2 2 348.450 3.444 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885218 1368528809 /nfs/dbraw/zinc/52/88/09/1368528809.db2.gz FQDCADBDVFBHDI-HBFSDRIKSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001111885218 1368528813 /nfs/dbraw/zinc/52/88/13/1368528813.db2.gz FQDCADBDVFBHDI-HBFSDRIKSA-N 2 2 346.519 3.241 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](CCC2CCCCC2)CC1 ZINC001198368346 1369016732 /nfs/dbraw/zinc/01/67/32/1369016732.db2.gz VDOAUZRUQGZOOE-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001198368346 1369016735 /nfs/dbraw/zinc/01/67/35/1369016735.db2.gz VDOAUZRUQGZOOE-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684224 1369563716 /nfs/dbraw/zinc/56/37/16/1369563716.db2.gz UMJYVHDPUIKEFG-PXDRNWIDSA-N 2 2 343.515 3.180 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)nc1 ZINC001203028421 1369960103 /nfs/dbraw/zinc/96/01/03/1369960103.db2.gz LHPCRICNHNWNPF-OYRHEFFESA-N 2 2 333.479 3.134 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)nc1 ZINC001203028421 1369960106 /nfs/dbraw/zinc/96/01/06/1369960106.db2.gz LHPCRICNHNWNPF-OYRHEFFESA-N 2 2 333.479 3.134 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)nc1 ZINC001203028421 1369960109 /nfs/dbraw/zinc/96/01/09/1369960109.db2.gz LHPCRICNHNWNPF-OYRHEFFESA-N 2 2 333.479 3.134 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)CCC5)C[C@H]3C2)nc1 ZINC001203028421 1369960113 /nfs/dbraw/zinc/96/01/13/1369960113.db2.gz LHPCRICNHNWNPF-OYRHEFFESA-N 2 2 333.479 3.134 20 0 EGADLP COc1ccc2c(Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc[nH+]c2c1 ZINC001203525256 1370155592 /nfs/dbraw/zinc/15/55/92/1370155592.db2.gz ZDKZBYOGKXOEQM-UHFFFAOYSA-N 3 2 349.438 3.134 20 0 EGADLP CCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203537485 1370160312 /nfs/dbraw/zinc/16/03/12/1370160312.db2.gz VXAWOLGPVRENLW-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203537485 1370160313 /nfs/dbraw/zinc/16/03/13/1370160313.db2.gz VXAWOLGPVRENLW-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001203537485 1370160314 /nfs/dbraw/zinc/16/03/14/1370160314.db2.gz VXAWOLGPVRENLW-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001203537485 1370160315 /nfs/dbraw/zinc/16/03/15/1370160315.db2.gz VXAWOLGPVRENLW-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP c1ccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccnc2c1 ZINC001204083825 1370371441 /nfs/dbraw/zinc/37/14/41/1370371441.db2.gz YZLWUMHQUNYKII-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP COc1cc(Nc2cccc(CC[NH+]3CCOCC3)c2)cc(C)[nH+]1 ZINC001204344249 1370448738 /nfs/dbraw/zinc/44/87/38/1370448738.db2.gz XEHUMROLWYHSBD-UHFFFAOYSA-N 2 2 327.428 3.017 20 0 EGADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001204515272 1370500009 /nfs/dbraw/zinc/50/00/09/1370500009.db2.gz DGHWKUWFHRXNPW-PZJWPPBQSA-N 2 2 340.467 3.001 20 0 EGADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001204515272 1370500016 /nfs/dbraw/zinc/50/00/16/1370500016.db2.gz DGHWKUWFHRXNPW-PZJWPPBQSA-N 2 2 340.467 3.001 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001204515272 1370500017 /nfs/dbraw/zinc/50/00/17/1370500017.db2.gz DGHWKUWFHRXNPW-PZJWPPBQSA-N 2 2 340.467 3.001 20 0 EGADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001204515272 1370500018 /nfs/dbraw/zinc/50/00/18/1370500018.db2.gz DGHWKUWFHRXNPW-PZJWPPBQSA-N 2 2 340.467 3.001 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205317707 1370719960 /nfs/dbraw/zinc/71/99/60/1370719960.db2.gz PPIRIFAIKPIHGX-PWSUYJOCSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Br ZINC001205317707 1370719962 /nfs/dbraw/zinc/71/99/62/1370719962.db2.gz PPIRIFAIKPIHGX-PWSUYJOCSA-N 2 2 329.257 3.313 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752428 1370733504 /nfs/dbraw/zinc/73/35/04/1370733504.db2.gz BWFJUAKCKLUFSU-QGZVFWFLSA-N 2 2 334.508 3.289 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205433493 1370754370 /nfs/dbraw/zinc/75/43/70/1370754370.db2.gz XKVTZSDTVKBFMT-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205433493 1370754373 /nfs/dbraw/zinc/75/43/73/1370754373.db2.gz XKVTZSDTVKBFMT-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CCc1cccc2cc(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)c(Cl)nc21 ZINC001205673451 1370837747 /nfs/dbraw/zinc/83/77/47/1370837747.db2.gz QVURBENGCXQVGV-IBGZPJMESA-N 2 2 347.890 3.126 20 0 EGADLP CCc1cccc2cc(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c(Cl)nc21 ZINC001205673451 1370837752 /nfs/dbraw/zinc/83/77/52/1370837752.db2.gz QVURBENGCXQVGV-IBGZPJMESA-N 2 2 347.890 3.126 20 0 EGADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001205688353 1370843758 /nfs/dbraw/zinc/84/37/58/1370843758.db2.gz GHMPZEREABYWAW-FQEVSTJZSA-N 2 2 344.430 3.294 20 0 EGADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2c(F)cccc2Oc2ccccc2)C1 ZINC001205688353 1370843763 /nfs/dbraw/zinc/84/37/63/1370843763.db2.gz GHMPZEREABYWAW-FQEVSTJZSA-N 2 2 344.430 3.294 20 0 EGADLP O=c1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c[nH]1 ZINC001205692029 1370844426 /nfs/dbraw/zinc/84/44/26/1370844426.db2.gz ARTWTEGTNLIXQZ-UHFFFAOYSA-N 2 2 342.830 3.340 20 0 EGADLP O=c1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c[nH]1 ZINC001205692029 1370844433 /nfs/dbraw/zinc/84/44/33/1370844433.db2.gz ARTWTEGTNLIXQZ-UHFFFAOYSA-N 2 2 342.830 3.340 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205922892 1370912547 /nfs/dbraw/zinc/91/25/47/1370912547.db2.gz CWTXZRKYBSWXRR-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205922892 1370912550 /nfs/dbraw/zinc/91/25/50/1370912550.db2.gz CWTXZRKYBSWXRR-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)[nH+]1 ZINC001116445388 1370913126 /nfs/dbraw/zinc/91/31/26/1370913126.db2.gz RZPRSEJDRHCEHC-INIZCTEOSA-N 2 2 325.412 3.195 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc3c2OCO3)[nH+]1 ZINC001116445388 1370913133 /nfs/dbraw/zinc/91/31/33/1370913133.db2.gz RZPRSEJDRHCEHC-INIZCTEOSA-N 2 2 325.412 3.195 20 0 EGADLP CC(C)[N@H+](Cc1cccc(Br)n1)C1CC[NH+](C)CC1 ZINC001205988277 1370931010 /nfs/dbraw/zinc/93/10/10/1370931010.db2.gz ATTUQQBLINJOQU-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[N@@H+](Cc1cccc(Br)n1)C1CC[NH+](C)CC1 ZINC001205988277 1370931013 /nfs/dbraw/zinc/93/10/13/1370931013.db2.gz ATTUQQBLINJOQU-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP OCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC001326087125 1388110572 /nfs/dbraw/zinc/11/05/72/1388110572.db2.gz QGNVTGWGKQZSBG-YQQQUEKLSA-N 2 2 340.467 3.447 20 0 EGADLP OCc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001326087125 1388110575 /nfs/dbraw/zinc/11/05/75/1388110575.db2.gz QGNVTGWGKQZSBG-YQQQUEKLSA-N 2 2 340.467 3.447 20 0 EGADLP CC/C=C/CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206428296 1371051648 /nfs/dbraw/zinc/05/16/48/1371051648.db2.gz XAYSUWYPJNWKOP-LAQIPUCWSA-N 2 2 332.492 3.019 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001206572641 1371096468 /nfs/dbraw/zinc/09/64/68/1371096468.db2.gz FVHWYPRDKCWNNK-OAHLLOKOSA-N 2 2 332.366 3.242 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001206572641 1371096472 /nfs/dbraw/zinc/09/64/72/1371096472.db2.gz FVHWYPRDKCWNNK-OAHLLOKOSA-N 2 2 332.366 3.242 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC001206622558 1371111569 /nfs/dbraw/zinc/11/15/69/1371111569.db2.gz FTCLJKJHBVYQHI-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1Br ZINC001206622558 1371111570 /nfs/dbraw/zinc/11/15/70/1371111570.db2.gz FTCLJKJHBVYQHI-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Br ZINC001206631889 1371114270 /nfs/dbraw/zinc/11/42/70/1371114270.db2.gz CADRJSSBNSPJGH-ZDUSSCGKSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206633133 1371114675 /nfs/dbraw/zinc/11/46/75/1371114675.db2.gz UHNATMQFPFHELI-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206633133 1371114679 /nfs/dbraw/zinc/11/46/79/1371114679.db2.gz UHNATMQFPFHELI-GFCCVEGCSA-N 2 2 327.266 3.019 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632805 1371114840 /nfs/dbraw/zinc/11/48/40/1371114840.db2.gz OKVGSVLJTNFKPV-LLVKDONJSA-N 2 2 334.357 3.414 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206632805 1371114846 /nfs/dbraw/zinc/11/48/46/1371114846.db2.gz OKVGSVLJTNFKPV-LLVKDONJSA-N 2 2 334.357 3.414 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206767910 1371157706 /nfs/dbraw/zinc/15/77/06/1371157706.db2.gz GBXUWAXAFSMFJB-CHWSQXEVSA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206767910 1371157733 /nfs/dbraw/zinc/15/77/33/1371157733.db2.gz GBXUWAXAFSMFJB-CHWSQXEVSA-N 2 2 338.546 3.456 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206970740 1371252312 /nfs/dbraw/zinc/25/23/12/1371252312.db2.gz GCYZKQJURHTAQJ-UHFFFAOYSA-N 2 2 334.508 3.072 20 0 EGADLP Cc1ncc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)s1 ZINC001207058678 1371281435 /nfs/dbraw/zinc/28/14/35/1371281435.db2.gz HVRYYGSXKAQXFD-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC001207730221 1371487544 /nfs/dbraw/zinc/48/75/44/1371487544.db2.gz UWMJUSZSXDBBQK-ZBFHGGJFSA-N 2 2 337.895 3.439 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC001207730221 1371487545 /nfs/dbraw/zinc/48/75/45/1371487545.db2.gz UWMJUSZSXDBBQK-ZBFHGGJFSA-N 2 2 337.895 3.439 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429733 1371572836 /nfs/dbraw/zinc/57/28/36/1371572836.db2.gz ARZZRFYEBKFSGA-JFZXIXNHSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429733 1371572851 /nfs/dbraw/zinc/57/28/51/1371572851.db2.gz ARZZRFYEBKFSGA-JFZXIXNHSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440638 1371578166 /nfs/dbraw/zinc/57/81/66/1371578166.db2.gz QHNNZCRKMPNYIW-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440638 1371578171 /nfs/dbraw/zinc/57/81/71/1371578171.db2.gz QHNNZCRKMPNYIW-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)Nc1ccccc1F ZINC001120496825 1371593302 /nfs/dbraw/zinc/59/33/02/1371593302.db2.gz LGZLUOKKAANKAS-HNNXBMFYSA-N 2 2 333.451 3.151 20 0 EGADLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)Nc1ccccc1F ZINC001120496825 1371593307 /nfs/dbraw/zinc/59/33/07/1371593307.db2.gz LGZLUOKKAANKAS-HNNXBMFYSA-N 2 2 333.451 3.151 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)c1 ZINC001208164976 1371614649 /nfs/dbraw/zinc/61/46/49/1371614649.db2.gz QKXNNVXOCYWYCY-OAHLLOKOSA-N 2 2 329.444 3.307 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001208168497 1371615845 /nfs/dbraw/zinc/61/58/45/1371615845.db2.gz HYOJNHPXTSJHRA-MUGJNUQGSA-N 2 2 325.500 3.438 20 0 EGADLP CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614967 1371841936 /nfs/dbraw/zinc/84/19/36/1371841936.db2.gz FZXSZNYGRNLSLQ-ZWKOTPCHSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614967 1371841942 /nfs/dbraw/zinc/84/19/42/1371841942.db2.gz FZXSZNYGRNLSLQ-ZWKOTPCHSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614967 1371841945 /nfs/dbraw/zinc/84/19/45/1371841945.db2.gz FZXSZNYGRNLSLQ-ZWKOTPCHSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001208614967 1371841947 /nfs/dbraw/zinc/84/19/47/1371841947.db2.gz FZXSZNYGRNLSLQ-ZWKOTPCHSA-N 2 2 331.504 3.376 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208878816 1371930104 /nfs/dbraw/zinc/93/01/04/1371930104.db2.gz KJHILYSADGDXIX-SFHVURJKSA-N 2 2 345.487 3.415 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208878816 1371930108 /nfs/dbraw/zinc/93/01/08/1371930108.db2.gz KJHILYSADGDXIX-SFHVURJKSA-N 2 2 345.487 3.415 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209450428 1372109245 /nfs/dbraw/zinc/10/92/45/1372109245.db2.gz JDUCJYFUAVNZNS-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCC[NH+]1CCCCC1 ZINC001209450428 1372109247 /nfs/dbraw/zinc/10/92/47/1372109247.db2.gz JDUCJYFUAVNZNS-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP Cc1cccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001209483923 1372117437 /nfs/dbraw/zinc/11/74/37/1372117437.db2.gz CFGXMNZRAUTYQQ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001209483923 1372117440 /nfs/dbraw/zinc/11/74/40/1372117440.db2.gz CFGXMNZRAUTYQQ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001209483923 1372117443 /nfs/dbraw/zinc/11/74/43/1372117443.db2.gz CFGXMNZRAUTYQQ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001209483923 1372117446 /nfs/dbraw/zinc/11/74/46/1372117446.db2.gz CFGXMNZRAUTYQQ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644387 1372160879 /nfs/dbraw/zinc/16/08/79/1372160879.db2.gz VEZBTYQTEWQUOJ-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644387 1372160882 /nfs/dbraw/zinc/16/08/82/1372160882.db2.gz VEZBTYQTEWQUOJ-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644387 1372160883 /nfs/dbraw/zinc/16/08/83/1372160883.db2.gz VEZBTYQTEWQUOJ-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001209644387 1372160886 /nfs/dbraw/zinc/16/08/86/1372160886.db2.gz VEZBTYQTEWQUOJ-WOJBJXKFSA-N 2 2 337.467 3.044 20 0 EGADLP CC(C)Oc1ccccc1OC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209737351 1372180594 /nfs/dbraw/zinc/18/05/94/1372180594.db2.gz KSEGYGYFWIUXIQ-UHFFFAOYSA-N 2 2 341.455 3.325 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC3CCC(C)(C)CC3)ccn12 ZINC001127293300 1373113273 /nfs/dbraw/zinc/11/32/73/1373113273.db2.gz UBJGAVBBPCLMTJ-UHFFFAOYSA-N 2 2 342.487 3.179 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706202 1373233948 /nfs/dbraw/zinc/23/39/48/1373233948.db2.gz ZACJRKYEWXELIK-LJZRZTQLSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CCCC1CCCC1)n1cc[nH+]c1 ZINC001130001381 1373444592 /nfs/dbraw/zinc/44/45/92/1373444592.db2.gz MXNQUTWUYIMKDG-SFHVURJKSA-N 2 2 334.508 3.147 20 0 EGADLP CNc1[nH]c2cc(-c3nc(-c4ccc(C[NH+](C)C)cc4)no3)ccc2[nH+]1 ZINC001217627519 1373475901 /nfs/dbraw/zinc/47/59/01/1373475901.db2.gz UYMBQLPKRIJWTB-UHFFFAOYSA-N 2 2 348.410 3.383 20 0 EGADLP [NH3+][C@@H](CC(=O)Nc1cccc2[nH+]ccn21)Cc1cccc2ccccc21 ZINC001218497850 1373626208 /nfs/dbraw/zinc/62/62/08/1373626208.db2.gz AXRMAOWOHGDPKG-QGZVFWFLSA-N 2 2 344.418 3.386 20 0 EGADLP Cc1ccc(C2(CC(=O)Nc3cccc4[nH+]ccn43)CC[NH2+]CC2)cc1 ZINC001218498288 1373627321 /nfs/dbraw/zinc/62/73/21/1373627321.db2.gz DJRCPYTYPZKGSP-UHFFFAOYSA-N 2 2 348.450 3.293 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC001218811846 1373656366 /nfs/dbraw/zinc/65/63/66/1373656366.db2.gz LGRQQXAIBGISTD-ROUUACIJSA-N 2 2 346.434 3.204 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H](C)c2ccccc2C)c(C)[nH+]1 ZINC001131560433 1373721443 /nfs/dbraw/zinc/72/14/43/1373721443.db2.gz MWEAEKMEPGUXQT-MRXNPFEDSA-N 2 2 325.456 3.396 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc3c(c2)CCC3)c(C)[nH+]1 ZINC001131560646 1373721733 /nfs/dbraw/zinc/72/17/33/1373721733.db2.gz XEBYVJKFJKFZDN-UHFFFAOYSA-N 2 2 337.467 3.015 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CCCCC1 ZINC001132528665 1375442940 /nfs/dbraw/zinc/44/29/40/1375442940.db2.gz FFKQIOABMPYUKD-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CCCCC1 ZINC001132528665 1375442942 /nfs/dbraw/zinc/44/29/42/1375442942.db2.gz FFKQIOABMPYUKD-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001132874684 1375615037 /nfs/dbraw/zinc/61/50/37/1375615037.db2.gz LKROGZJNVMXAIT-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001132874684 1375615042 /nfs/dbraw/zinc/61/50/42/1375615042.db2.gz LKROGZJNVMXAIT-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](CC(=O)NC1CC[NH+](CCCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001229386042 1375824863 /nfs/dbraw/zinc/82/48/63/1375824863.db2.gz WUFNLJUGNGLPFS-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012813 1376381248 /nfs/dbraw/zinc/38/12/48/1376381248.db2.gz SRIPJUYKOJYFMQ-IRXDYDNUSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012813 1376381260 /nfs/dbraw/zinc/38/12/60/1376381260.db2.gz SRIPJUYKOJYFMQ-IRXDYDNUSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012523 1376381572 /nfs/dbraw/zinc/38/15/72/1376381572.db2.gz JYQVBCMHZQJFPQ-UHFFFAOYSA-N 2 2 342.443 3.148 20 0 EGADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012523 1376381574 /nfs/dbraw/zinc/38/15/74/1376381574.db2.gz JYQVBCMHZQJFPQ-UHFFFAOYSA-N 2 2 342.443 3.148 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001134499221 1376570616 /nfs/dbraw/zinc/57/06/16/1376570616.db2.gz YRPXYZCYCXLSOS-DLBZAZTESA-N 2 2 342.487 3.425 20 0 EGADLP C[C@H](CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)n1cc[nH+]c1 ZINC001134499032 1376571011 /nfs/dbraw/zinc/57/10/11/1376571011.db2.gz UYDCXBTYIIYEJA-MRXNPFEDSA-N 2 2 342.487 3.038 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001134546204 1376585040 /nfs/dbraw/zinc/58/50/40/1376585040.db2.gz XPORLPLNOZCTGJ-CVEARBPZSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001134546204 1376585045 /nfs/dbraw/zinc/58/50/45/1376585045.db2.gz XPORLPLNOZCTGJ-CVEARBPZSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1cnsc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233322279 1376615927 /nfs/dbraw/zinc/61/59/27/1376615927.db2.gz ZBYVSOWBYYFMNK-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233322279 1376615932 /nfs/dbraw/zinc/61/59/32/1376615932.db2.gz ZBYVSOWBYYFMNK-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233322279 1376615937 /nfs/dbraw/zinc/61/59/37/1376615937.db2.gz ZBYVSOWBYYFMNK-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233322279 1376615938 /nfs/dbraw/zinc/61/59/38/1376615938.db2.gz ZBYVSOWBYYFMNK-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729774 1376681942 /nfs/dbraw/zinc/68/19/42/1376681942.db2.gz MRHWTBUVHYTSSU-HZPDHXFCSA-N 2 2 336.524 3.380 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739561 1376688857 /nfs/dbraw/zinc/68/88/57/1376688857.db2.gz GSGHPDSABJOUQX-UONOGXRCSA-N 2 2 328.460 3.240 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739834 1376689218 /nfs/dbraw/zinc/68/92/18/1376689218.db2.gz KLLIXMJJXMDVFQ-ZIAGYGMSSA-N 2 2 330.476 3.486 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccsc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739735 1376689297 /nfs/dbraw/zinc/68/92/97/1376689297.db2.gz JHADPJLRETYTNB-CHWSQXEVSA-N 2 2 342.468 3.311 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234024693 1376756525 /nfs/dbraw/zinc/75/65/25/1376756525.db2.gz KIUJLSLCLPFVMT-MRXNPFEDSA-N 2 2 335.407 3.297 20 0 EGADLP COc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1-n1cc[nH+]c1 ZINC001234033183 1376757903 /nfs/dbraw/zinc/75/79/03/1376757903.db2.gz POEZXKJHTDCXHS-UHFFFAOYSA-N 2 2 348.450 3.203 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970588 1376819543 /nfs/dbraw/zinc/81/95/43/1376819543.db2.gz RAQYPZWSUYWFSM-HUUCEWRRSA-N 2 2 342.487 3.257 20 0 EGADLP COc1ccc2sc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235022902 1376829154 /nfs/dbraw/zinc/82/91/54/1376829154.db2.gz RHRPJHVFSDJLOV-IBGZPJMESA-N 2 2 346.496 3.112 20 0 EGADLP COc1ccc2sc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2c1 ZINC001235022902 1376829157 /nfs/dbraw/zinc/82/91/57/1376829157.db2.gz RHRPJHVFSDJLOV-IBGZPJMESA-N 2 2 346.496 3.112 20 0 EGADLP Fc1cccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c1 ZINC001235027188 1376830441 /nfs/dbraw/zinc/83/04/41/1376830441.db2.gz WMLHLQXQQBTJIA-FXAWDEMLSA-N 2 2 326.415 3.198 20 0 EGADLP Fc1cccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)c1 ZINC001235027188 1376830446 /nfs/dbraw/zinc/83/04/46/1376830446.db2.gz WMLHLQXQQBTJIA-FXAWDEMLSA-N 2 2 326.415 3.198 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632062 1376879288 /nfs/dbraw/zinc/87/92/88/1376879288.db2.gz DYUWRIGFPOLXGR-QZTJIDSGSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632062 1376879291 /nfs/dbraw/zinc/87/92/91/1376879291.db2.gz DYUWRIGFPOLXGR-QZTJIDSGSA-N 2 2 334.508 3.049 20 0 EGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001235946140 1376921320 /nfs/dbraw/zinc/92/13/20/1376921320.db2.gz KNRODHVFGARHOZ-HXUWFJFHSA-N 2 2 336.479 3.120 20 0 EGADLP COc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc2c1NC(C)(C)C=C2 ZINC001236207444 1376941106 /nfs/dbraw/zinc/94/11/06/1376941106.db2.gz ATVAIEGEGNDDCI-HXUWFJFHSA-N 2 2 329.488 3.486 20 0 EGADLP COc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc2c1NC(C)(C)C=C2 ZINC001236207444 1376941108 /nfs/dbraw/zinc/94/11/08/1376941108.db2.gz ATVAIEGEGNDDCI-HXUWFJFHSA-N 2 2 329.488 3.486 20 0 EGADLP COc1ccc(OCc2ccccc2)c(C[NH+]2CCC[NH2+]CCC2)c1 ZINC001236240977 1376944534 /nfs/dbraw/zinc/94/45/34/1376944534.db2.gz VONWRXADSFKPRD-UHFFFAOYSA-N 2 2 340.467 3.460 20 0 EGADLP COCC[N@H+](CCCc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC001236331747 1376950349 /nfs/dbraw/zinc/95/03/49/1376950349.db2.gz YYBQZRYMHHWIFP-INIZCTEOSA-N 2 2 344.421 3.338 20 0 EGADLP COCC[N@@H+](CCCc1ccccc1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC001236331747 1376950364 /nfs/dbraw/zinc/95/03/64/1376950364.db2.gz YYBQZRYMHHWIFP-INIZCTEOSA-N 2 2 344.421 3.338 20 0 EGADLP COCOc1ccc(C)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244457132 1377037081 /nfs/dbraw/zinc/03/70/81/1377037081.db2.gz CPDGQUUCBATAQC-QGZVFWFLSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1ccc(C)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244457132 1377037086 /nfs/dbraw/zinc/03/70/86/1377037086.db2.gz CPDGQUUCBATAQC-QGZVFWFLSA-N 2 2 326.440 3.178 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001245143547 1377043684 /nfs/dbraw/zinc/04/36/84/1377043684.db2.gz NJYXPKNDJYYFHQ-LJQANCHMSA-N 2 2 328.431 3.253 20 0 EGADLP CC(C)(O)c1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001245143547 1377043686 /nfs/dbraw/zinc/04/36/86/1377043686.db2.gz NJYXPKNDJYYFHQ-LJQANCHMSA-N 2 2 328.431 3.253 20 0 EGADLP CCCC(CCC)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001257341342 1377113959 /nfs/dbraw/zinc/11/39/59/1377113959.db2.gz YRJBGXDZJZXDAS-UHFFFAOYSA-N 2 2 331.508 3.168 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCC1CCCCCC1 ZINC001135799789 1377214524 /nfs/dbraw/zinc/21/45/24/1377214524.db2.gz XRVZBHFJOOQZAG-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001136031271 1377306008 /nfs/dbraw/zinc/30/60/08/1377306008.db2.gz IDMVIYQFOJMSTC-HOTGVXAUSA-N 2 2 348.535 3.494 20 0 EGADLP COCC[N@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136860748 1377431640 /nfs/dbraw/zinc/43/16/40/1377431640.db2.gz AJXFZABBVCMDFQ-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COCC[N@@H+](Cc1cc2c(cccc2Cl)[nH]1)C1CC[NH+](C)CC1 ZINC001136860748 1377431642 /nfs/dbraw/zinc/43/16/42/1377431642.db2.gz AJXFZABBVCMDFQ-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP Cc1cccc2ncc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)n21 ZINC001137196647 1377494840 /nfs/dbraw/zinc/49/48/40/1377494840.db2.gz SVCJGSMAYFKZMK-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1cccc2ncc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)n21 ZINC001137196647 1377494841 /nfs/dbraw/zinc/49/48/41/1377494841.db2.gz SVCJGSMAYFKZMK-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC001137346007 1377527921 /nfs/dbraw/zinc/52/79/21/1377527921.db2.gz HNKJLQFXJUQWIW-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC001137346007 1377527922 /nfs/dbraw/zinc/52/79/22/1377527922.db2.gz HNKJLQFXJUQWIW-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC001137346007 1377527924 /nfs/dbraw/zinc/52/79/24/1377527924.db2.gz HNKJLQFXJUQWIW-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4[nH]nc5ccccc54)C[C@@H]3C2)cc1 ZINC001137346007 1377527926 /nfs/dbraw/zinc/52/79/26/1377527926.db2.gz HNKJLQFXJUQWIW-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5ncccc45)C[C@H]3C2)c1 ZINC001137625018 1377574844 /nfs/dbraw/zinc/57/48/44/1377574844.db2.gz GUWRENSQGOUOFV-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5ncccc45)C[C@H]3C2)c1 ZINC001137625018 1377574845 /nfs/dbraw/zinc/57/48/45/1377574845.db2.gz GUWRENSQGOUOFV-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5ncccc45)C[C@H]3C2)c1 ZINC001137625018 1377574846 /nfs/dbraw/zinc/57/48/46/1377574846.db2.gz GUWRENSQGOUOFV-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5ncccc45)C[C@H]3C2)c1 ZINC001137625018 1377574847 /nfs/dbraw/zinc/57/48/47/1377574847.db2.gz GUWRENSQGOUOFV-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001138097433 1377676509 /nfs/dbraw/zinc/67/65/09/1377676509.db2.gz UMZZWQDQSKXNJV-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4cccc5nccnc45)C3)C2)c1 ZINC001138303424 1377699180 /nfs/dbraw/zinc/69/91/80/1377699180.db2.gz XEYNBODIJIXVMA-CALCHBBNSA-N 2 2 348.450 3.177 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](Cc4cccc5nccnc45)C3)C2)c1 ZINC001138303424 1377699182 /nfs/dbraw/zinc/69/91/82/1377699182.db2.gz XEYNBODIJIXVMA-CALCHBBNSA-N 2 2 348.450 3.177 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](Cc2cccc4nccnc24)C3)c1 ZINC001138303424 1377699185 /nfs/dbraw/zinc/69/91/85/1377699185.db2.gz XEYNBODIJIXVMA-CALCHBBNSA-N 2 2 348.450 3.177 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2cccc4nccnc24)C3)c1 ZINC001138303424 1377699187 /nfs/dbraw/zinc/69/91/87/1377699187.db2.gz XEYNBODIJIXVMA-CALCHBBNSA-N 2 2 348.450 3.177 20 0 EGADLP COc1ccc(C)cc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001138484491 1377730444 /nfs/dbraw/zinc/73/04/44/1377730444.db2.gz PZOROXZECMUGPW-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C)cc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001138484491 1377730447 /nfs/dbraw/zinc/73/04/47/1377730447.db2.gz PZOROXZECMUGPW-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001138484491 1377730450 /nfs/dbraw/zinc/73/04/50/1377730450.db2.gz PZOROXZECMUGPW-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1ccc(C)cc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001138484491 1377730454 /nfs/dbraw/zinc/73/04/54/1377730454.db2.gz PZOROXZECMUGPW-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)c(OC)c3)C[C@@H]2C1 ZINC001138576165 1377745909 /nfs/dbraw/zinc/74/59/09/1377745909.db2.gz JMLNKVYQSARJNA-HDICACEKSA-N 2 2 332.488 3.256 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(C)C)c(OC)c3)C[C@@H]2C1 ZINC001138576165 1377745913 /nfs/dbraw/zinc/74/59/13/1377745913.db2.gz JMLNKVYQSARJNA-HDICACEKSA-N 2 2 332.488 3.256 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(C)C)c(OC)c3)C[C@@H]2C1 ZINC001138576165 1377745914 /nfs/dbraw/zinc/74/59/14/1377745914.db2.gz JMLNKVYQSARJNA-HDICACEKSA-N 2 2 332.488 3.256 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(C)C)c(OC)c3)C[C@@H]2C1 ZINC001138576165 1377745917 /nfs/dbraw/zinc/74/59/17/1377745917.db2.gz JMLNKVYQSARJNA-HDICACEKSA-N 2 2 332.488 3.256 20 0 EGADLP Cn1ccc2ccc(C[NH+]3CCC([N@H+](C)C4CCOCC4)CC3)cc21 ZINC001139206658 1377850294 /nfs/dbraw/zinc/85/02/94/1377850294.db2.gz IMXVPBZXSQUQBL-UHFFFAOYSA-N 2 2 341.499 3.254 20 0 EGADLP Cn1ccc2ccc(C[NH+]3CCC([N@@H+](C)C4CCOCC4)CC3)cc21 ZINC001139206658 1377850300 /nfs/dbraw/zinc/85/03/00/1377850300.db2.gz IMXVPBZXSQUQBL-UHFFFAOYSA-N 2 2 341.499 3.254 20 0 EGADLP c1cn(C2CC[NH+](Cc3ccc(N4CCCCC4)nc3)CC2)c[nH+]1 ZINC001139345074 1377871541 /nfs/dbraw/zinc/87/15/41/1377871541.db2.gz AZSNDUMUBZTNOT-UHFFFAOYSA-N 2 2 325.460 3.106 20 0 EGADLP CCOC(=O)C1(CC)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001139361312 1377874281 /nfs/dbraw/zinc/87/42/81/1377874281.db2.gz PJRFSLHVFCDCEL-UHFFFAOYSA-N 2 2 341.455 3.428 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](Oc4cccnc4)C3)cc2)c[nH+]1 ZINC001139360183 1377874314 /nfs/dbraw/zinc/87/43/14/1377874314.db2.gz KAOPEFUBXKMEKW-HXUWFJFHSA-N 2 2 334.423 3.311 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](Oc4cccnc4)C3)cc2)c[nH+]1 ZINC001139360183 1377874315 /nfs/dbraw/zinc/87/43/15/1377874315.db2.gz KAOPEFUBXKMEKW-HXUWFJFHSA-N 2 2 334.423 3.311 20 0 EGADLP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759492 1377947071 /nfs/dbraw/zinc/94/70/71/1377947071.db2.gz GHLMCMNOTYIWJC-HDICACEKSA-N 2 2 332.488 3.161 20 0 EGADLP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759492 1377947074 /nfs/dbraw/zinc/94/70/74/1377947074.db2.gz GHLMCMNOTYIWJC-HDICACEKSA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)C1CC[NH+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139764376 1377948106 /nfs/dbraw/zinc/94/81/06/1377948106.db2.gz JLWDUFUWBJXCHB-UHFFFAOYSA-N 2 2 346.515 3.266 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)ncc2Br)CC1 ZINC001139804665 1377953042 /nfs/dbraw/zinc/95/30/42/1377953042.db2.gz UAKOSHPDWPVRMN-UHFFFAOYSA-N 2 2 346.700 3.271 20 0 EGADLP Clc1cnccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001139848581 1377962765 /nfs/dbraw/zinc/96/27/65/1377962765.db2.gz LVDOIOJCEHCGPP-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cnccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001139848581 1377962768 /nfs/dbraw/zinc/96/27/68/1377962768.db2.gz LVDOIOJCEHCGPP-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cnccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001139848581 1377962770 /nfs/dbraw/zinc/96/27/70/1377962770.db2.gz LVDOIOJCEHCGPP-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cnccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001139848581 1377962773 /nfs/dbraw/zinc/96/27/73/1377962773.db2.gz LVDOIOJCEHCGPP-AEFFLSMTSA-N 2 2 342.874 3.084 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cncc5ccccc54)C[C@H]3C2)nc1 ZINC001139895538 1377974068 /nfs/dbraw/zinc/97/40/68/1377974068.db2.gz HIVXEQUOZIGWSZ-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001140021916 1377991227 /nfs/dbraw/zinc/99/12/27/1377991227.db2.gz UCDAPRSDQSHPMY-UHFFFAOYSA-N 2 2 346.478 3.499 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140026953 1377991649 /nfs/dbraw/zinc/99/16/49/1377991649.db2.gz RCZOLUMKZCKJES-GOSISDBHSA-N 2 2 325.456 3.429 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001140026953 1377991650 /nfs/dbraw/zinc/99/16/50/1377991650.db2.gz RCZOLUMKZCKJES-GOSISDBHSA-N 2 2 325.456 3.429 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001140026709 1377991982 /nfs/dbraw/zinc/99/19/82/1377991982.db2.gz PHZJLYBWLQADFN-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001140026709 1377991983 /nfs/dbraw/zinc/99/19/83/1377991983.db2.gz PHZJLYBWLQADFN-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001140027514 1377992441 /nfs/dbraw/zinc/99/24/41/1377992441.db2.gz OIGGBPCUCAZDIM-UHFFFAOYSA-N 3 2 347.466 3.206 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2[nH]nc3ccc(OC)cc32)CC1 ZINC001140071480 1378001434 /nfs/dbraw/zinc/00/14/34/1378001434.db2.gz MMNMUZDJTQIVND-UHFFFAOYSA-N 2 2 330.476 3.268 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2[nH]nc3ccc(OC)cc32)CC1 ZINC001140071480 1378001437 /nfs/dbraw/zinc/00/14/37/1378001437.db2.gz MMNMUZDJTQIVND-UHFFFAOYSA-N 2 2 330.476 3.268 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)cc1O ZINC001140200993 1378030932 /nfs/dbraw/zinc/03/09/32/1378030932.db2.gz CBVIYNMURASUFG-UHFFFAOYSA-N 2 2 332.488 3.084 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)cc1O ZINC001140200993 1378030933 /nfs/dbraw/zinc/03/09/33/1378030933.db2.gz CBVIYNMURASUFG-UHFFFAOYSA-N 2 2 332.488 3.084 20 0 EGADLP COCC[N@H+](Cc1ccccc1-c1nccs1)C1CC[NH+](C)CC1 ZINC001140453101 1378065668 /nfs/dbraw/zinc/06/56/68/1378065668.db2.gz WMPQNACUNKPRNV-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP COCC[N@@H+](Cc1ccccc1-c1nccs1)C1CC[NH+](C)CC1 ZINC001140453101 1378065669 /nfs/dbraw/zinc/06/56/69/1378065669.db2.gz WMPQNACUNKPRNV-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140591405 1378092215 /nfs/dbraw/zinc/09/22/15/1378092215.db2.gz WWRWAEPLDHVCJF-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140591405 1378092216 /nfs/dbraw/zinc/09/22/16/1378092216.db2.gz WWRWAEPLDHVCJF-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140591405 1378092220 /nfs/dbraw/zinc/09/22/20/1378092220.db2.gz WWRWAEPLDHVCJF-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140591405 1378092224 /nfs/dbraw/zinc/09/22/24/1378092224.db2.gz WWRWAEPLDHVCJF-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802519 1378140580 /nfs/dbraw/zinc/14/05/80/1378140580.db2.gz XPLPGGQNDZGVHK-HNNXBMFYSA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802519 1378140582 /nfs/dbraw/zinc/14/05/82/1378140582.db2.gz XPLPGGQNDZGVHK-HNNXBMFYSA-N 2 2 344.459 3.442 20 0 EGADLP C[C@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C(=O)OC(C)(C)C ZINC001140801799 1378141925 /nfs/dbraw/zinc/14/19/25/1378141925.db2.gz GBLMTVSTFSCBPZ-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C(=O)OC(C)(C)C ZINC001140801799 1378141926 /nfs/dbraw/zinc/14/19/26/1378141926.db2.gz GBLMTVSTFSCBPZ-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP O=C(Nc1ccccc1)NC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805595 1378143160 /nfs/dbraw/zinc/14/31/60/1378143160.db2.gz JTKQVDZQMZOJSP-UHFFFAOYSA-N 2 2 349.438 3.349 20 0 EGADLP CC(C)(C)OC(=O)N1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C(C)(C)C1 ZINC001140807433 1378145887 /nfs/dbraw/zinc/14/58/87/1378145887.db2.gz ZBHIVIYYZROXFD-UHFFFAOYSA-N 2 2 344.459 3.394 20 0 EGADLP CC(C)(C)OC(=O)N1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C(C)(C)C1 ZINC001140807433 1378145889 /nfs/dbraw/zinc/14/58/89/1378145889.db2.gz ZBHIVIYYZROXFD-UHFFFAOYSA-N 2 2 344.459 3.394 20 0 EGADLP COC(=O)c1cccc(C[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001141244290 1378281973 /nfs/dbraw/zinc/28/19/73/1378281973.db2.gz IIKNJEUERTXQKP-UHFFFAOYSA-N 2 2 335.407 3.291 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405089 1378439720 /nfs/dbraw/zinc/43/97/20/1378439720.db2.gz LZJZRXZKLOTXJJ-SJCJKPOMSA-N 2 2 348.288 3.456 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405089 1378439723 /nfs/dbraw/zinc/43/97/23/1378439723.db2.gz LZJZRXZKLOTXJJ-SJCJKPOMSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405089 1378439729 /nfs/dbraw/zinc/43/97/29/1378439729.db2.gz LZJZRXZKLOTXJJ-SJCJKPOMSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@@H]21 ZINC001142405089 1378439730 /nfs/dbraw/zinc/43/97/30/1378439730.db2.gz LZJZRXZKLOTXJJ-SJCJKPOMSA-N 2 2 348.288 3.456 20 0 EGADLP COc1cc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1 ZINC001142934777 1378512771 /nfs/dbraw/zinc/51/27/71/1378512771.db2.gz BEWNSYUZPPQTNL-UHFFFAOYSA-N 2 2 340.471 3.041 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1C(F)(F)F ZINC001143352416 1378586042 /nfs/dbraw/zinc/58/60/42/1378586042.db2.gz TZLWNOMRMMZEAJ-CZUORRHYSA-N 2 2 328.378 3.098 20 0 EGADLP COc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1C(F)(F)F ZINC001143352416 1378586045 /nfs/dbraw/zinc/58/60/45/1378586045.db2.gz TZLWNOMRMMZEAJ-CZUORRHYSA-N 2 2 328.378 3.098 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1C(F)(F)F ZINC001143484105 1378602972 /nfs/dbraw/zinc/60/29/72/1378602972.db2.gz MRSGMJOMOLUCGM-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1C(F)(F)F ZINC001143484105 1378602973 /nfs/dbraw/zinc/60/29/73/1378602973.db2.gz MRSGMJOMOLUCGM-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001143584843 1378621181 /nfs/dbraw/zinc/62/11/81/1378621181.db2.gz ABGORLKJDKCEBR-RTBURBONSA-N 2 2 325.431 3.093 20 0 EGADLP CCOc1c(Cl)ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1F ZINC001143833088 1378651921 /nfs/dbraw/zinc/65/19/21/1378651921.db2.gz TVRZKSIKKQQJFB-UHFFFAOYSA-N 2 2 326.843 3.405 20 0 EGADLP COc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC001144469983 1378734988 /nfs/dbraw/zinc/73/49/88/1378734988.db2.gz XCODTTKWUYXPEY-QGZVFWFLSA-N 2 2 343.446 3.183 20 0 EGADLP COc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC001144469983 1378734990 /nfs/dbraw/zinc/73/49/90/1378734990.db2.gz XCODTTKWUYXPEY-QGZVFWFLSA-N 2 2 343.446 3.183 20 0 EGADLP COc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001144469983 1378734992 /nfs/dbraw/zinc/73/49/92/1378734992.db2.gz XCODTTKWUYXPEY-QGZVFWFLSA-N 2 2 343.446 3.183 20 0 EGADLP COc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001144469983 1378734994 /nfs/dbraw/zinc/73/49/94/1378734994.db2.gz XCODTTKWUYXPEY-QGZVFWFLSA-N 2 2 343.446 3.183 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001146772122 1378916226 /nfs/dbraw/zinc/91/62/26/1378916226.db2.gz QWJMYRFEUHLINR-IRXDYDNUSA-N 2 2 334.508 3.117 20 0 EGADLP CC[N@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153120423 1380025594 /nfs/dbraw/zinc/02/55/94/1380025594.db2.gz RRLSJIIFQYEGRW-CYBMUJFWSA-N 2 2 348.516 3.047 20 0 EGADLP CC[N@@H+](Cc1cc(C)sc1C)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153120423 1380025604 /nfs/dbraw/zinc/02/56/04/1380025604.db2.gz RRLSJIIFQYEGRW-CYBMUJFWSA-N 2 2 348.516 3.047 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314925 1380253735 /nfs/dbraw/zinc/25/37/35/1380253735.db2.gz JJQYUBFHSQOQQT-OAHLLOKOSA-N 2 2 330.476 3.211 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314925 1380253736 /nfs/dbraw/zinc/25/37/36/1380253736.db2.gz JJQYUBFHSQOQQT-OAHLLOKOSA-N 2 2 330.476 3.211 20 0 EGADLP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314510 1380253968 /nfs/dbraw/zinc/25/39/68/1380253968.db2.gz BDPAZXQKHNVZTG-CQSZACIVSA-N 2 2 342.468 3.036 20 0 EGADLP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154314510 1380253971 /nfs/dbraw/zinc/25/39/71/1380253971.db2.gz BDPAZXQKHNVZTG-CQSZACIVSA-N 2 2 342.468 3.036 20 0 EGADLP CC[N@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492607 1380288443 /nfs/dbraw/zinc/28/84/43/1380288443.db2.gz LKXPHSOFCPLFLB-HZPDHXFCSA-N 2 2 346.450 3.061 20 0 EGADLP CC[N@@H+](CC[C@@H](C)F)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492607 1380288445 /nfs/dbraw/zinc/28/84/45/1380288445.db2.gz LKXPHSOFCPLFLB-HZPDHXFCSA-N 2 2 346.450 3.061 20 0 EGADLP COc1ccc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)c(Cl)n1 ZINC001155057271 1380400071 /nfs/dbraw/zinc/40/00/71/1380400071.db2.gz BUDQCPUNZJXHCT-UHFFFAOYSA-N 2 2 342.777 3.005 20 0 EGADLP CCCN(CCC)c1cc(N[C@@H]2C[NH2+]Cc3ccsc32)nc[nH+]1 ZINC001155561035 1380469027 /nfs/dbraw/zinc/46/90/27/1380469027.db2.gz KPZSLBRRDJFXTG-CQSZACIVSA-N 2 2 331.489 3.421 20 0 EGADLP Cc1ccc(F)c2cc(C)c(NCC3([NH+](C)C)CC[NH+](C)CC3)nc12 ZINC001156186132 1380538158 /nfs/dbraw/zinc/53/81/58/1380538158.db2.gz YXGNIVJLDTXXOV-UHFFFAOYSA-N 2 2 344.478 3.429 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001157891715 1381061853 /nfs/dbraw/zinc/06/18/53/1381061853.db2.gz NFORIFXIGCHZSQ-VOTSOKGWSA-N 2 2 345.487 3.181 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050719 1381113258 /nfs/dbraw/zinc/11/32/58/1381113258.db2.gz SSTIRDZJHATLIA-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050719 1381113264 /nfs/dbraw/zinc/11/32/64/1381113264.db2.gz SSTIRDZJHATLIA-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050719 1381113270 /nfs/dbraw/zinc/11/32/70/1381113270.db2.gz SSTIRDZJHATLIA-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050719 1381113274 /nfs/dbraw/zinc/11/32/74/1381113274.db2.gz SSTIRDZJHATLIA-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468544 1381255763 /nfs/dbraw/zinc/25/57/63/1381255763.db2.gz VLSKBCBJWHCWFS-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158468544 1381255767 /nfs/dbraw/zinc/25/57/67/1381255767.db2.gz VLSKBCBJWHCWFS-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC1CCC1 ZINC001158794040 1381402169 /nfs/dbraw/zinc/40/21/69/1381402169.db2.gz DZQGIUUXKCULPY-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC1CCC1 ZINC001158794040 1381402179 /nfs/dbraw/zinc/40/21/79/1381402179.db2.gz DZQGIUUXKCULPY-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CSc1cc[nH+]c(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001159019250 1381512516 /nfs/dbraw/zinc/51/25/16/1381512516.db2.gz GHFIBZHXFMFZJN-UHFFFAOYSA-N 2 2 325.481 3.445 20 0 EGADLP Brc1ccc2c(Nc3cnn(C4C[NH2+]C4)c3)cc[nH+]c2c1 ZINC001159290425 1381753319 /nfs/dbraw/zinc/75/33/19/1381753319.db2.gz TWOBXBVFHRXOJN-UHFFFAOYSA-N 2 2 344.216 3.082 20 0 EGADLP CNc1ccc(Nc2ccc(Br)c3c2C[NH2+]CC3)c[nH+]1 ZINC001159941676 1381943291 /nfs/dbraw/zinc/94/32/91/1381943291.db2.gz JGHYEFXAYGSCBI-UHFFFAOYSA-N 2 2 333.233 3.275 20 0 EGADLP CC[NH2+]Cc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001159956837 1381949123 /nfs/dbraw/zinc/94/91/23/1381949123.db2.gz SOBCSNHRQYSVAR-UHFFFAOYSA-N 2 2 325.456 3.372 20 0 EGADLP [NH3+][C@H]1CCCN(c2ccccc2Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001159978557 1381957131 /nfs/dbraw/zinc/95/71/31/1381957131.db2.gz UKNAXSYQSINTEV-INIZCTEOSA-N 2 2 337.471 3.353 20 0 EGADLP [NH3+]Cc1ccc(Nc2[nH+][nH]c(Cl)c3ncnc2-3)c(C(F)(F)F)c1 ZINC001160419686 1382098902 /nfs/dbraw/zinc/09/89/02/1382098902.db2.gz SYZYJRVCVCUTPK-UHFFFAOYSA-N 2 2 342.712 3.227 20 0 EGADLP CCCC[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492317 1382121935 /nfs/dbraw/zinc/12/19/35/1382121935.db2.gz PPZMSDNPFZYRMU-UHFFFAOYSA-N 2 2 326.444 3.115 20 0 EGADLP CCCC[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160492317 1382121938 /nfs/dbraw/zinc/12/19/38/1382121938.db2.gz PPZMSDNPFZYRMU-UHFFFAOYSA-N 2 2 326.444 3.115 20 0 EGADLP Cc1ccc(Cl)c(CCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1F ZINC001160802525 1382200522 /nfs/dbraw/zinc/20/05/22/1382200522.db2.gz ZULDQVIZWAUMFY-UHFFFAOYSA-N 2 2 348.853 3.247 20 0 EGADLP O=C(NCCC[NH2+]CCCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160990245 1382263809 /nfs/dbraw/zinc/26/38/09/1382263809.db2.gz FUVZETCTHVJVOF-UHFFFAOYSA-N 2 2 328.460 3.243 20 0 EGADLP CN(C)c1cc(NCC2CC[NH+](Cc3ccccc3F)CC2)nc[nH+]1 ZINC001161193028 1382336464 /nfs/dbraw/zinc/33/64/64/1382336464.db2.gz AIUAQBYZWRIBLS-UHFFFAOYSA-N 2 2 343.450 3.006 20 0 EGADLP CN(C)c1cc(NCC2CC[NH+](Cc3ccccc3F)CC2)[nH+]cn1 ZINC001161193028 1382336467 /nfs/dbraw/zinc/33/64/67/1382336467.db2.gz AIUAQBYZWRIBLS-UHFFFAOYSA-N 2 2 343.450 3.006 20 0 EGADLP CC(C)CC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356139 1382381086 /nfs/dbraw/zinc/38/10/86/1382381086.db2.gz CFYDJEVNPKPUQI-QGZVFWFLSA-N 2 2 332.492 3.019 20 0 EGADLP CC(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356139 1382381090 /nfs/dbraw/zinc/38/10/90/1382381090.db2.gz CFYDJEVNPKPUQI-QGZVFWFLSA-N 2 2 332.492 3.019 20 0 EGADLP O=C(NCCC[NH2+]CCC1CCCCCC1)c1cccc2[nH+]ccn21 ZINC001162432898 1382757567 /nfs/dbraw/zinc/75/75/67/1382757567.db2.gz MMGUUNALDXWQSK-UHFFFAOYSA-N 2 2 342.487 3.404 20 0 EGADLP F[C@]1(CNc2[nH]c3ccc(Br)cc3[nH+]2)CCCC[NH2+]C1 ZINC001162584045 1382798610 /nfs/dbraw/zinc/79/86/10/1382798610.db2.gz YGMSSKOOYDAPIQ-CQSZACIVSA-N 2 2 341.228 3.219 20 0 EGADLP F[C@]1(CNc2[nH]c3cc(Br)ccc3[nH+]2)CCCC[NH2+]C1 ZINC001162584045 1382798616 /nfs/dbraw/zinc/79/86/16/1382798616.db2.gz YGMSSKOOYDAPIQ-CQSZACIVSA-N 2 2 341.228 3.219 20 0 EGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1C ZINC001162957669 1382927255 /nfs/dbraw/zinc/92/72/55/1382927255.db2.gz RAMSLWPIRSWTDZ-MRXNPFEDSA-N 2 2 346.519 3.352 20 0 EGADLP CCC(CC)C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163472291 1383059332 /nfs/dbraw/zinc/05/93/32/1383059332.db2.gz BZYCHIMATQSNPV-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP [NH3+][C@H]1CN(c2[nH+]c(N3CCCC3)cc3ccccc32)CCC1(F)F ZINC001164329151 1383178123 /nfs/dbraw/zinc/17/81/23/1383178123.db2.gz ZTSFHOBNDXVAEA-HNNXBMFYSA-N 2 2 332.398 3.008 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc3cc(C)ccc31)CC[NH2+]CC2 ZINC001165353953 1383280830 /nfs/dbraw/zinc/28/08/30/1383280830.db2.gz VQLDFQIYJYKNRG-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP Cc1cc2[nH+]ccn2cc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165384542 1383283550 /nfs/dbraw/zinc/28/35/50/1383283550.db2.gz LZJFZWXYQFFLIJ-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP Nc1cc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]c(C(F)(F)F)c1 ZINC001165427936 1383293962 /nfs/dbraw/zinc/29/39/62/1383293962.db2.gz ZYTGKAOMUYGMMC-UHFFFAOYSA-N 2 2 336.361 3.227 20 0 EGADLP CC(C)(C)N(c1cccc(C2CC2)[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165672146 1383323242 /nfs/dbraw/zinc/32/32/42/1383323242.db2.gz OLQDEEOYNVSWMK-MRXNPFEDSA-N 2 2 329.488 3.475 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001167331302 1383600351 /nfs/dbraw/zinc/60/03/51/1383600351.db2.gz DLGJQKSZJNGSBC-DLBZAZTESA-N 2 2 346.519 3.045 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348807 1383606681 /nfs/dbraw/zinc/60/66/81/1383606681.db2.gz VKACCEISRMOPST-MSOLQXFVSA-N 2 2 348.535 3.393 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167421884 1383629256 /nfs/dbraw/zinc/62/92/56/1383629256.db2.gz AQWKMHVTGHSUFR-DLBZAZTESA-N 2 2 348.535 3.147 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167421884 1383629259 /nfs/dbraw/zinc/62/92/59/1383629259.db2.gz AQWKMHVTGHSUFR-DLBZAZTESA-N 2 2 348.535 3.147 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167422042 1383629610 /nfs/dbraw/zinc/62/96/10/1383629610.db2.gz HAZYZVFZMBCXBE-MRXNPFEDSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167422042 1383629618 /nfs/dbraw/zinc/62/96/18/1383629618.db2.gz HAZYZVFZMBCXBE-MRXNPFEDSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)n1cc[nH+]c1 ZINC001167428984 1383631746 /nfs/dbraw/zinc/63/17/46/1383631746.db2.gz OBXTZYDPQQJLJA-LPHOPBHVSA-N 2 2 340.471 3.008 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167432237 1383632896 /nfs/dbraw/zinc/63/28/96/1383632896.db2.gz KLJVJADVAISDEB-HNNXBMFYSA-N 2 2 348.878 3.092 20 0 EGADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001301660863 1383724850 /nfs/dbraw/zinc/72/48/50/1383724850.db2.gz HLGAFBJXZCHZKR-QZTJIDSGSA-N 2 2 349.906 3.077 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167978311 1383784984 /nfs/dbraw/zinc/78/49/84/1383784984.db2.gz LWYKQZTVYHBFJU-MRXNPFEDSA-N 2 2 342.487 3.008 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167978311 1383784986 /nfs/dbraw/zinc/78/49/86/1383784986.db2.gz LWYKQZTVYHBFJU-MRXNPFEDSA-N 2 2 342.487 3.008 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168045763 1383803898 /nfs/dbraw/zinc/80/38/98/1383803898.db2.gz KFDOHPSZUVIZEW-OPVJXMOQSA-N 2 2 344.499 3.267 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168045763 1383803904 /nfs/dbraw/zinc/80/39/04/1383803904.db2.gz KFDOHPSZUVIZEW-OPVJXMOQSA-N 2 2 344.499 3.267 20 0 EGADLP CC1CCC([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)CC1 ZINC001168214769 1383845245 /nfs/dbraw/zinc/84/52/45/1383845245.db2.gz FGBCQNQVEHCUPA-UHFFFAOYSA-N 2 2 329.488 3.332 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001168486198 1383921053 /nfs/dbraw/zinc/92/10/53/1383921053.db2.gz KYLFRZVJQRUETB-AWEZNQCLSA-N 2 2 340.402 3.048 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001168486198 1383921055 /nfs/dbraw/zinc/92/10/55/1383921055.db2.gz KYLFRZVJQRUETB-AWEZNQCLSA-N 2 2 340.402 3.048 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001168486701 1383921224 /nfs/dbraw/zinc/92/12/24/1383921224.db2.gz MZVKTTQRLNIPAW-QRQLOZEOSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001168486701 1383921227 /nfs/dbraw/zinc/92/12/27/1383921227.db2.gz MZVKTTQRLNIPAW-QRQLOZEOSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001168486701 1383921230 /nfs/dbraw/zinc/92/12/30/1383921230.db2.gz MZVKTTQRLNIPAW-QRQLOZEOSA-N 2 2 339.458 3.216 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001168486701 1383921233 /nfs/dbraw/zinc/92/12/33/1383921233.db2.gz MZVKTTQRLNIPAW-QRQLOZEOSA-N 2 2 339.458 3.216 20 0 EGADLP COc1ccc(C[C@](C)([NH3+])CNc2cc(C)[nH+]c(C3CCC3)n2)cc1 ZINC001307073723 1383937021 /nfs/dbraw/zinc/93/70/21/1383937021.db2.gz ZUCZIFKMMNEZTA-FQEVSTJZSA-N 2 2 340.471 3.433 20 0 EGADLP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(OCc2ccccn2)c1 ZINC001168602176 1383946344 /nfs/dbraw/zinc/94/63/44/1383946344.db2.gz GAHGOISPBJOHSL-ROUUACIJSA-N 2 2 326.444 3.340 20 0 EGADLP FC(F)(F)COc1cc[nH+]c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001169008889 1384087165 /nfs/dbraw/zinc/08/71/65/1384087165.db2.gz JPBLWIWGOBPWQI-UHFFFAOYSA-N 2 2 336.317 3.325 20 0 EGADLP Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169125569 1384110272 /nfs/dbraw/zinc/11/02/72/1384110272.db2.gz IZFMGFMAMOMXEY-BCDXTJNWSA-N 2 2 333.907 3.396 20 0 EGADLP Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125569 1384110274 /nfs/dbraw/zinc/11/02/74/1384110274.db2.gz IZFMGFMAMOMXEY-BCDXTJNWSA-N 2 2 333.907 3.396 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169142316 1384112730 /nfs/dbraw/zinc/11/27/30/1384112730.db2.gz BPRKJJCCILYSCJ-BWTSREIZSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC001169142316 1384112733 /nfs/dbraw/zinc/11/27/33/1384112733.db2.gz BPRKJJCCILYSCJ-BWTSREIZSA-N 2 2 333.907 3.083 20 0 EGADLP COc1ccc(Cl)cc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169146421 1384114847 /nfs/dbraw/zinc/11/48/47/1384114847.db2.gz PICWWYRVCPTAEF-FVQHAEBGSA-N 2 2 349.906 3.096 20 0 EGADLP COc1ccc(Cl)cc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146421 1384114848 /nfs/dbraw/zinc/11/48/48/1384114848.db2.gz PICWWYRVCPTAEF-FVQHAEBGSA-N 2 2 349.906 3.096 20 0 EGADLP CCOc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC001308338197 1384120331 /nfs/dbraw/zinc/12/03/31/1384120331.db2.gz RGHAOBNQASUYGP-GOSISDBHSA-N 2 2 340.471 3.233 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001169220863 1384124090 /nfs/dbraw/zinc/12/40/90/1384124090.db2.gz WISGXTMFUMUSBM-SFHVURJKSA-N 2 2 347.503 3.326 20 0 EGADLP CC(C)c1cc(NCc2ncn3c2C[NH2+]CCC3)nc(C(C)C)[nH+]1 ZINC001169240876 1384126430 /nfs/dbraw/zinc/12/64/30/1384126430.db2.gz MOXBVEGLYCNMKO-UHFFFAOYSA-N 2 2 328.464 3.025 20 0 EGADLP O=C(NCCC[NH2+]CCC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022820 1384219746 /nfs/dbraw/zinc/21/97/46/1384219746.db2.gz IUGMIAXXQXAZFN-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144370 1384248151 /nfs/dbraw/zinc/24/81/51/1384248151.db2.gz ILRDTGNPUOMBFJ-RGIVZKHGSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144370 1384248154 /nfs/dbraw/zinc/24/81/54/1384248154.db2.gz ILRDTGNPUOMBFJ-RGIVZKHGSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144370 1384248155 /nfs/dbraw/zinc/24/81/55/1384248155.db2.gz ILRDTGNPUOMBFJ-RGIVZKHGSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C)C4)CC[C@@H]3C2)cs1 ZINC001170144370 1384248159 /nfs/dbraw/zinc/24/81/59/1384248159.db2.gz ILRDTGNPUOMBFJ-RGIVZKHGSA-N 2 2 349.544 3.163 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl)ccn12 ZINC001170784991 1384384438 /nfs/dbraw/zinc/38/44/38/1384384438.db2.gz LGHUGRCOVOBCBC-GPAKFWEMSA-N 2 2 348.878 3.273 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cs1 ZINC001171153227 1384455898 /nfs/dbraw/zinc/45/58/98/1384455898.db2.gz WMOJTSBIFSHAKF-CQSZACIVSA-N 2 2 348.516 3.177 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cs1 ZINC001171153227 1384455904 /nfs/dbraw/zinc/45/59/04/1384455904.db2.gz WMOJTSBIFSHAKF-CQSZACIVSA-N 2 2 348.516 3.177 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152708 1384456071 /nfs/dbraw/zinc/45/60/71/1384456071.db2.gz UCMIMAHDNIAFIV-ADKAHSJRSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152708 1384456072 /nfs/dbraw/zinc/45/60/72/1384456072.db2.gz UCMIMAHDNIAFIV-ADKAHSJRSA-N 2 2 348.535 3.433 20 0 EGADLP COc1ccc2cc(NCc3ccccc3N3CC[NH2+]CC3)[nH+]cc2c1 ZINC001171283117 1384484883 /nfs/dbraw/zinc/48/48/83/1384484883.db2.gz OCUSESZZLWSVBT-UHFFFAOYSA-N 2 2 348.450 3.265 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358816 1384500824 /nfs/dbraw/zinc/50/08/24/1384500824.db2.gz KSJSQULNGZRURD-KBAYOESNSA-N 2 2 346.519 3.358 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358816 1384500828 /nfs/dbraw/zinc/50/08/28/1384500828.db2.gz KSJSQULNGZRURD-KBAYOESNSA-N 2 2 346.519 3.358 20 0 EGADLP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171471875 1384532528 /nfs/dbraw/zinc/53/25/28/1384532528.db2.gz MBXLUJXPRABEPM-KRWDZBQOSA-N 2 2 343.421 3.167 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]CC[NH+]1CCCCCC1)CC2 ZINC001171507127 1384545099 /nfs/dbraw/zinc/54/50/99/1384545099.db2.gz JWPDGAFXPMDDDO-AWEZNQCLSA-N 2 2 326.406 3.427 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171523158 1384550367 /nfs/dbraw/zinc/55/03/67/1384550367.db2.gz YXISLVWDMWRGIF-KGLIPLIRSA-N 2 2 326.406 3.281 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171523158 1384550369 /nfs/dbraw/zinc/55/03/69/1384550369.db2.gz YXISLVWDMWRGIF-KGLIPLIRSA-N 2 2 326.406 3.281 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)C2 ZINC001171566297 1384564536 /nfs/dbraw/zinc/56/45/36/1384564536.db2.gz HWVHAUQMQPJCRE-ONTIZHBOSA-N 2 2 347.506 3.311 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171606335 1384577871 /nfs/dbraw/zinc/57/78/71/1384577871.db2.gz UKIJXMUGGZYAAK-QZTJIDSGSA-N 2 2 348.535 3.290 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605739 1384577927 /nfs/dbraw/zinc/57/79/27/1384577927.db2.gz QLKYSWGEIABZDU-ZWKOTPCHSA-N 2 2 348.535 3.290 20 0 EGADLP CC(C)COc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ncn1 ZINC001171627293 1384585335 /nfs/dbraw/zinc/58/53/35/1384585335.db2.gz NWSSXPASDGGEOL-UHFFFAOYSA-N 2 2 334.508 3.252 20 0 EGADLP C[C@H]1C[C@@H](NC(=[NH2+])c2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001171732835 1384617879 /nfs/dbraw/zinc/61/78/79/1384617879.db2.gz GCNGZMSAYRRPCO-DZGCQCFKSA-N 2 2 328.847 3.313 20 0 EGADLP C[C@H]1C[C@@H](NC(=[NH2+])c2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC001171732835 1384617884 /nfs/dbraw/zinc/61/78/84/1384617884.db2.gz GCNGZMSAYRRPCO-DZGCQCFKSA-N 2 2 328.847 3.313 20 0 EGADLP C[C@@H]1C[C@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171764156 1384628612 /nfs/dbraw/zinc/62/86/12/1384628612.db2.gz RFUGFSVJPDVTGP-AEFFLSMTSA-N 2 2 349.469 3.065 20 0 EGADLP C[C@@H]1C[C@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171764156 1384628618 /nfs/dbraw/zinc/62/86/18/1384628618.db2.gz RFUGFSVJPDVTGP-AEFFLSMTSA-N 2 2 349.469 3.065 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171779727 1384634075 /nfs/dbraw/zinc/63/40/75/1384634075.db2.gz RORIIPJZMRRYLF-MRXNPFEDSA-N 2 2 330.476 3.259 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171813501 1384648076 /nfs/dbraw/zinc/64/80/76/1384648076.db2.gz BSOZLDLJHUPVPU-WCXIOVBPSA-N 2 2 341.540 3.483 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896041 1384673401 /nfs/dbraw/zinc/67/34/01/1384673401.db2.gz IMIDOXYCOFONOB-HPFMTEOYSA-N 2 2 348.535 3.364 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001171935912 1384687825 /nfs/dbraw/zinc/68/78/25/1384687825.db2.gz MUKJBKPIIOMDAS-UHFFFAOYSA-N 2 2 341.455 3.474 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001171988965 1384706453 /nfs/dbraw/zinc/70/64/53/1384706453.db2.gz YBXMLBPPDXGJBY-UFYCRDLUSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171988965 1384706455 /nfs/dbraw/zinc/70/64/55/1384706455.db2.gz YBXMLBPPDXGJBY-UFYCRDLUSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988965 1384706461 /nfs/dbraw/zinc/70/64/61/1384706461.db2.gz YBXMLBPPDXGJBY-UFYCRDLUSA-N 2 2 328.500 3.398 20 0 EGADLP CC1(C)C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171988965 1384706476 /nfs/dbraw/zinc/70/64/76/1384706476.db2.gz YBXMLBPPDXGJBY-UFYCRDLUSA-N 2 2 328.500 3.398 20 0 EGADLP Cc1[nH+]cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064795 1384716015 /nfs/dbraw/zinc/71/60/15/1384716015.db2.gz JWEUUPIYAWZAPW-ACDBMABISA-N 3 2 338.499 3.451 20 0 EGADLP Cc1[nH+]cn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1CC[NH3+] ZINC001172064795 1384716017 /nfs/dbraw/zinc/71/60/17/1384716017.db2.gz JWEUUPIYAWZAPW-ACDBMABISA-N 3 2 338.499 3.451 20 0 EGADLP C[C@@]1(O)CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069588 1384718121 /nfs/dbraw/zinc/71/81/21/1384718121.db2.gz RMAROXGZHBIDDB-HGJUEJDCSA-N 2 2 346.490 3.367 20 0 EGADLP C[C@@]1(O)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172069588 1384718123 /nfs/dbraw/zinc/71/81/23/1384718123.db2.gz RMAROXGZHBIDDB-HGJUEJDCSA-N 2 2 346.490 3.367 20 0 EGADLP C[C@@]1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069588 1384718125 /nfs/dbraw/zinc/71/81/25/1384718125.db2.gz RMAROXGZHBIDDB-HGJUEJDCSA-N 2 2 346.490 3.367 20 0 EGADLP C[C@@]1(O)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172069588 1384718135 /nfs/dbraw/zinc/71/81/35/1384718135.db2.gz RMAROXGZHBIDDB-HGJUEJDCSA-N 2 2 346.490 3.367 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC001172728197 1384840033 /nfs/dbraw/zinc/84/00/33/1384840033.db2.gz CYTGJACJQBQKJO-HOTGVXAUSA-N 2 2 337.508 3.026 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([NH+]1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2 ZINC001172830454 1384861043 /nfs/dbraw/zinc/86/10/43/1384861043.db2.gz JGEYDZNRHQROPQ-FQEVSTJZSA-N 2 2 336.483 3.081 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CN1C(=O)OC(C)(C)C ZINC001173065400 1384906241 /nfs/dbraw/zinc/90/62/41/1384906241.db2.gz VNSVSHIURURLOZ-GOEBONIOSA-N 2 2 344.459 3.212 20 0 EGADLP CC[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001173280479 1384950196 /nfs/dbraw/zinc/95/01/96/1384950196.db2.gz UAKOKRMKCXMHOT-SQNIBIBYSA-N 2 2 329.488 3.378 20 0 EGADLP COC(=O)CCCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001173459610 1384975105 /nfs/dbraw/zinc/97/51/05/1384975105.db2.gz DDRRBLPKQRAMEO-MRXNPFEDSA-N 2 2 329.444 3.426 20 0 EGADLP COC(=O)CCCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001173459610 1384975108 /nfs/dbraw/zinc/97/51/08/1384975108.db2.gz DDRRBLPKQRAMEO-MRXNPFEDSA-N 2 2 329.444 3.426 20 0 EGADLP Fc1cc2c(cc1F)CC([NH2+]CC1CCN(c3cccc[nH+]3)CC1)C2 ZINC001173478501 1384978414 /nfs/dbraw/zinc/97/84/14/1384978414.db2.gz RXAAFWOHEUEMHE-UHFFFAOYSA-N 2 2 343.421 3.333 20 0 EGADLP COC(=O)c1ccc(C[C@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173734062 1385011392 /nfs/dbraw/zinc/01/13/92/1385011392.db2.gz GXTHPHIQYGLIGB-INIZCTEOSA-N 2 2 332.488 3.209 20 0 EGADLP COC(=O)c1ccc(C[C@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173734062 1385011393 /nfs/dbraw/zinc/01/13/93/1385011393.db2.gz GXTHPHIQYGLIGB-INIZCTEOSA-N 2 2 332.488 3.209 20 0 EGADLP C[NH+]1CCC(n2cc(Nc3ccc(N4CCCCC4)[nH+]c3)cn2)CC1 ZINC001174522380 1385116100 /nfs/dbraw/zinc/11/61/00/1385116100.db2.gz JWJYOQNORSBBQF-UHFFFAOYSA-N 2 2 340.475 3.279 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174580199 1385122044 /nfs/dbraw/zinc/12/20/44/1385122044.db2.gz HTCLIBANGHFIIB-KRWDZBQOSA-N 2 2 332.492 3.038 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC001317486950 1385184746 /nfs/dbraw/zinc/18/47/46/1385184746.db2.gz LHPQYJOITTXDEF-KRWDZBQOSA-N 2 2 348.535 3.489 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)CC1CCC(C)(C)CC1 ZINC001317486950 1385184749 /nfs/dbraw/zinc/18/47/49/1385184749.db2.gz LHPQYJOITTXDEF-KRWDZBQOSA-N 2 2 348.535 3.489 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3ccc(N(C)C)[nH+]c3)cc2F)CC1 ZINC001175343725 1385258843 /nfs/dbraw/zinc/25/88/43/1385258843.db2.gz MNYLEAYFOJUAOD-UHFFFAOYSA-N 2 2 343.450 3.172 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175358778 1385265489 /nfs/dbraw/zinc/26/54/89/1385265489.db2.gz OZQMUKJDLOUXNL-KZNAEPCWSA-N 2 2 348.535 3.369 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175637556 1385359077 /nfs/dbraw/zinc/35/90/77/1385359077.db2.gz BZQURBIBJPZVMV-HOTGVXAUSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175637556 1385359078 /nfs/dbraw/zinc/35/90/78/1385359078.db2.gz BZQURBIBJPZVMV-HOTGVXAUSA-N 2 2 348.535 3.289 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643599 1385361641 /nfs/dbraw/zinc/36/16/41/1385361641.db2.gz DGQOUTFLOVQZDD-DLBZAZTESA-N 2 2 336.524 3.433 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643599 1385361646 /nfs/dbraw/zinc/36/16/46/1385361646.db2.gz DGQOUTFLOVQZDD-DLBZAZTESA-N 2 2 336.524 3.433 20 0 EGADLP CSc1cc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc[nH+]1 ZINC001175823463 1385414139 /nfs/dbraw/zinc/41/41/39/1385414139.db2.gz LCKOFUXRBWPNFB-UHFFFAOYSA-N 2 2 344.484 3.229 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175880851 1385428323 /nfs/dbraw/zinc/42/83/23/1385428323.db2.gz FRYDMLHATWNATC-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(C)c1 ZINC001176351088 1385559758 /nfs/dbraw/zinc/55/97/58/1385559758.db2.gz PRDYRWCQGPRNSH-INIZCTEOSA-N 2 2 342.487 3.034 20 0 EGADLP CC[N@H+](C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001176659955 1385649427 /nfs/dbraw/zinc/64/94/27/1385649427.db2.gz BPFKHHKHDWTIEQ-UHFFFAOYSA-N 2 2 325.460 3.033 20 0 EGADLP CC[N@@H+](C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001176659955 1385649430 /nfs/dbraw/zinc/64/94/30/1385649430.db2.gz BPFKHHKHDWTIEQ-UHFFFAOYSA-N 2 2 325.460 3.033 20 0 EGADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC001177217375 1385868307 /nfs/dbraw/zinc/86/83/07/1385868307.db2.gz PUNDDJOBCBTXRL-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177467193 1385967526 /nfs/dbraw/zinc/96/75/26/1385967526.db2.gz VGLZTOYUWGMIPV-UHFFFAOYSA-N 2 2 348.535 3.342 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001319503668 1386150300 /nfs/dbraw/zinc/15/03/00/1386150300.db2.gz VVXMKOHHTRVDJV-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178995660 1386370309 /nfs/dbraw/zinc/37/03/09/1386370309.db2.gz KUBRFZOXIZIIRV-YOEHRIQHSA-N 2 2 340.471 3.336 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001179689632 1386554389 /nfs/dbraw/zinc/55/43/89/1386554389.db2.gz HTXOIKBYTCWJRL-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179776665 1386580563 /nfs/dbraw/zinc/58/05/63/1386580563.db2.gz DHQMDLREVDPFFL-KRWDZBQOSA-N 2 2 346.519 3.355 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179776665 1386580566 /nfs/dbraw/zinc/58/05/66/1386580566.db2.gz DHQMDLREVDPFFL-KRWDZBQOSA-N 2 2 346.519 3.355 20 0 EGADLP CC(=O)[C@@H]1C[C@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)C1(C)C ZINC001320453305 1386613192 /nfs/dbraw/zinc/61/31/92/1386613192.db2.gz GBIAWJFOSBJPAP-CABCVRRESA-N 2 2 340.427 3.156 20 0 EGADLP CC(C)C[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179977559 1386656053 /nfs/dbraw/zinc/65/60/53/1386656053.db2.gz XDURWCGMWAHLDC-UHFFFAOYSA-N 2 2 342.487 3.408 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001180178282 1386722270 /nfs/dbraw/zinc/72/22/70/1386722270.db2.gz CRGILFMQMBJRKB-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1ccccc1F ZINC001180478811 1386809739 /nfs/dbraw/zinc/80/97/39/1386809739.db2.gz ZDVMCUNOPNMQDW-INIZCTEOSA-N 2 2 346.450 3.050 20 0 EGADLP CCCCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181884689 1387070649 /nfs/dbraw/zinc/07/06/49/1387070649.db2.gz JJHJBSQXTXRDME-OXQOHEQNSA-N 2 2 348.535 3.191 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001181884579 1387070722 /nfs/dbraw/zinc/07/07/22/1387070722.db2.gz GPPOCOQBJUCRNS-JXXFODFXSA-N 2 2 348.535 3.047 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182874160 1387238166 /nfs/dbraw/zinc/23/81/66/1387238166.db2.gz PDZKUQXMXBYEIT-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP CS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001331538298 1389789502 /nfs/dbraw/zinc/78/95/02/1389789502.db2.gz CWHUXXZMKPVXQJ-OALUTQOASA-N 2 2 334.529 3.235 20 0 EGADLP CS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001331538298 1389789508 /nfs/dbraw/zinc/78/95/08/1389789508.db2.gz CWHUXXZMKPVXQJ-OALUTQOASA-N 2 2 334.529 3.235 20 0 EGADLP c1cc(OCC2CC2)ccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001331566234 1389804653 /nfs/dbraw/zinc/80/46/53/1389804653.db2.gz TZTFXTKLCAPJDX-UHFFFAOYSA-N 2 2 344.499 3.208 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001331761706 1389868017 /nfs/dbraw/zinc/86/80/17/1389868017.db2.gz HBPDLKVQNAVUPR-WCQYABFASA-N 2 2 349.828 3.365 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001331761706 1389868024 /nfs/dbraw/zinc/86/80/24/1389868024.db2.gz HBPDLKVQNAVUPR-WCQYABFASA-N 2 2 349.828 3.365 20 0 EGADLP Cc1nc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)sc1C ZINC001351987579 1391738881 /nfs/dbraw/zinc/73/88/81/1391738881.db2.gz OFKLPQSTRGSNSQ-GOSISDBHSA-N 2 2 329.513 3.414 20 0 EGADLP Cc1nc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)sc1C ZINC001351987579 1391738885 /nfs/dbraw/zinc/73/88/85/1391738885.db2.gz OFKLPQSTRGSNSQ-GOSISDBHSA-N 2 2 329.513 3.414 20 0 EGADLP COc1cccc2c(N3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)cc[nH+]c12 ZINC001352099162 1391759136 /nfs/dbraw/zinc/75/91/36/1391759136.db2.gz LKWGACQGPHCBSW-HRCADAONSA-N 2 2 325.456 3.410 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001480082320 1392571597 /nfs/dbraw/zinc/57/15/97/1392571597.db2.gz UNTHMLGMNVOVEF-GOSISDBHSA-N 2 2 331.504 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[N@H+](C)CC(C)C)C2)c(C)[nH+]1 ZINC001480082320 1392571598 /nfs/dbraw/zinc/57/15/98/1392571598.db2.gz UNTHMLGMNVOVEF-GOSISDBHSA-N 2 2 331.504 3.447 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1cccc(F)c1 ZINC001480486338 1392766998 /nfs/dbraw/zinc/76/69/98/1392766998.db2.gz KIPZAMXJJODLDJ-QWHCGFSZSA-N 2 2 340.402 3.171 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001481408319 1394265047 /nfs/dbraw/zinc/26/50/47/1394265047.db2.gz OSFYEVHRQHIGNY-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481408319 1394265050 /nfs/dbraw/zinc/26/50/50/1394265050.db2.gz OSFYEVHRQHIGNY-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001491192082 1394464850 /nfs/dbraw/zinc/46/48/50/1394464850.db2.gz YVRKDRJCAXKECX-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001481861797 1394565317 /nfs/dbraw/zinc/56/53/17/1394565317.db2.gz PRBMUIOFVDCKEK-CVEARBPZSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C[NH2+]C(C)C)CCCC[C@H]3C)ccn12 ZINC001481959518 1394620275 /nfs/dbraw/zinc/62/02/75/1394620275.db2.gz YKOKKHFMXLGEIW-QRWLVFNGSA-N 2 2 342.487 3.319 20 0 EGADLP C[C@H](CC(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001484143669 1395279363 /nfs/dbraw/zinc/27/93/63/1395279363.db2.gz VTMVKPWSFPXDPC-LXPRWKDFSA-N 2 2 346.519 3.099 20 0 EGADLP Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001698997577 1406798484 /nfs/dbraw/zinc/79/84/84/1406798484.db2.gz RUYQKBSPYAPZLL-SFHVURJKSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001698997577 1406798486 /nfs/dbraw/zinc/79/84/86/1406798486.db2.gz RUYQKBSPYAPZLL-SFHVURJKSA-N 2 2 342.487 3.041 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001690027620 1404266580 /nfs/dbraw/zinc/26/65/80/1404266580.db2.gz SCSAQHNIMRVEBG-ROUUACIJSA-N 2 2 348.535 3.439 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001690504407 1404617060 /nfs/dbraw/zinc/61/70/60/1404617060.db2.gz DATLNMHFJYCZLC-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001690504407 1404617062 /nfs/dbraw/zinc/61/70/62/1404617062.db2.gz DATLNMHFJYCZLC-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]Cc2cccnc2C)c(C)[nH+]1 ZINC001690854349 1404778339 /nfs/dbraw/zinc/77/83/39/1404778339.db2.gz CMCNVRDRKJCDMY-CQSZACIVSA-N 2 2 340.471 3.008 20 0 EGADLP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001725493705 1426171145 /nfs/dbraw/zinc/17/11/45/1426171145.db2.gz FYYZRHQBNFOCIT-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)c1cccc(Cl)c1 ZINC001691034520 1404944562 /nfs/dbraw/zinc/94/45/62/1404944562.db2.gz QDESBDYJQBXZHX-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)c1cccc(Cl)c1 ZINC001691034520 1404944565 /nfs/dbraw/zinc/94/45/65/1404944565.db2.gz QDESBDYJQBXZHX-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172459 1405107900 /nfs/dbraw/zinc/10/79/00/1405107900.db2.gz GFSTYCBCAOGCLF-SZMVWBNQSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691172459 1405107903 /nfs/dbraw/zinc/10/79/03/1405107903.db2.gz GFSTYCBCAOGCLF-SZMVWBNQSA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001732087122 1428348156 /nfs/dbraw/zinc/34/81/56/1428348156.db2.gz QMMSBTMPPHYZPR-GOSISDBHSA-N 2 2 348.535 3.126 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001732087122 1428348163 /nfs/dbraw/zinc/34/81/63/1428348163.db2.gz QMMSBTMPPHYZPR-GOSISDBHSA-N 2 2 348.535 3.126 20 0 EGADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001732357180 1428546647 /nfs/dbraw/zinc/54/66/47/1428546647.db2.gz YKBREJRLUALPJB-GJZGRUSLSA-N 2 2 348.878 3.030 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001699608233 1412972629 /nfs/dbraw/zinc/97/26/29/1412972629.db2.gz VBDMYHSXYNJDQB-LXJUILQBSA-N 2 2 346.862 3.146 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460853 1414058758 /nfs/dbraw/zinc/05/87/58/1414058758.db2.gz MFRCNRPQNCOAAM-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460853 1414058767 /nfs/dbraw/zinc/05/87/67/1414058767.db2.gz MFRCNRPQNCOAAM-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460853 1414058771 /nfs/dbraw/zinc/05/87/71/1414058771.db2.gz MFRCNRPQNCOAAM-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460853 1414058777 /nfs/dbraw/zinc/05/87/77/1414058777.db2.gz MFRCNRPQNCOAAM-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP COC[C@@H](C)[NH2+][C@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001700501532 1414149686 /nfs/dbraw/zinc/14/96/86/1414149686.db2.gz DVIVSQMQRGICNH-SJLPKXTDSA-N 2 2 349.519 3.118 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700525779 1414186644 /nfs/dbraw/zinc/18/66/44/1414186644.db2.gz RYRXAAIFKOZATE-SFHVURJKSA-N 2 2 334.508 3.139 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700525779 1414186649 /nfs/dbraw/zinc/18/66/49/1414186649.db2.gz RYRXAAIFKOZATE-SFHVURJKSA-N 2 2 334.508 3.139 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700525779 1414186652 /nfs/dbraw/zinc/18/66/52/1414186652.db2.gz RYRXAAIFKOZATE-SFHVURJKSA-N 2 2 334.508 3.139 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700525779 1414186655 /nfs/dbraw/zinc/18/66/55/1414186655.db2.gz RYRXAAIFKOZATE-SFHVURJKSA-N 2 2 334.508 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001700998839 1414649534 /nfs/dbraw/zinc/64/95/34/1414649534.db2.gz WENABMJZEDVCPA-GOSISDBHSA-N 2 2 348.535 3.352 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001713376152 1417986041 /nfs/dbraw/zinc/98/60/41/1417986041.db2.gz ANNAAGPHJUZAJI-OALUTQOASA-N 2 2 346.519 3.261 20 0 EGADLP CCC(CC)C[NH2+]C[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001714167709 1418976565 /nfs/dbraw/zinc/97/65/65/1418976565.db2.gz XRQZRFRSDACADY-HXUWFJFHSA-N 2 2 342.487 3.487 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC001714312110 1419093194 /nfs/dbraw/zinc/09/31/94/1419093194.db2.gz YKGYTBIKNMROEK-WDSOQIARSA-N 2 2 340.471 3.051 20 0 EGADLP CCC[N@@H+](C/C=C\Cl)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714655849 1419437039 /nfs/dbraw/zinc/43/70/39/1419437039.db2.gz JNFBXZCKECOLAY-BAQGIRSFSA-N 2 2 346.862 3.067 20 0 EGADLP CCC[N@H+](C/C=C\Cl)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001714655849 1419437040 /nfs/dbraw/zinc/43/70/40/1419437040.db2.gz JNFBXZCKECOLAY-BAQGIRSFSA-N 2 2 346.862 3.067 20 0 EGADLP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001714671437 1419461604 /nfs/dbraw/zinc/46/16/04/1419461604.db2.gz KPFCGDCMHYDVFX-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C ZINC001715065414 1419802508 /nfs/dbraw/zinc/80/25/08/1419802508.db2.gz RMNCEABMGFMKST-KRWDZBQOSA-N 2 2 336.439 3.170 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001716478982 1420694305 /nfs/dbraw/zinc/69/43/05/1420694305.db2.gz WZVHIPGDELSKBC-CVEARBPZSA-N 2 2 344.503 3.375 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC(C)C)ccn12 ZINC001716478982 1420694307 /nfs/dbraw/zinc/69/43/07/1420694307.db2.gz WZVHIPGDELSKBC-CVEARBPZSA-N 2 2 344.503 3.375 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001716616263 1420780046 /nfs/dbraw/zinc/78/00/46/1420780046.db2.gz KHLBZKGBOGFBLN-CRAIPNDOSA-N 2 2 348.450 3.194 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672924 1420829864 /nfs/dbraw/zinc/82/98/64/1420829864.db2.gz HVMHRQNJTNARFM-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001716672924 1420829867 /nfs/dbraw/zinc/82/98/67/1420829867.db2.gz HVMHRQNJTNARFM-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP CC1(CNC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CCCC2CCC2)CC1 ZINC001716885517 1421008955 /nfs/dbraw/zinc/00/89/55/1421008955.db2.gz TWHFSTAZUWNPFX-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC1(CNC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CCCC2CCC2)CC1 ZINC001716885517 1421008958 /nfs/dbraw/zinc/00/89/58/1421008958.db2.gz TWHFSTAZUWNPFX-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001716897602 1421025826 /nfs/dbraw/zinc/02/58/26/1421025826.db2.gz FMAHKXNHAVETQD-HXUWFJFHSA-N 2 2 348.535 3.318 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001716897602 1421025827 /nfs/dbraw/zinc/02/58/27/1421025827.db2.gz FMAHKXNHAVETQD-HXUWFJFHSA-N 2 2 348.535 3.318 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3[C@@H](C)[NH2+]CC(C)C)ccn12 ZINC001731293813 1427236188 /nfs/dbraw/zinc/23/61/88/1427236188.db2.gz SEKCPLJSFUKQNT-SJLPKXTDSA-N 2 2 342.487 3.272 20 0 EGADLP CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CCC2CC2)CC1 ZINC001731387856 1427336471 /nfs/dbraw/zinc/33/64/71/1427336471.db2.gz WECOWJKVYGGZNU-KRWDZBQOSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001731996581 1428205660 /nfs/dbraw/zinc/20/56/60/1428205660.db2.gz MTQGDSBFEQUKJZ-CQSZACIVSA-N 2 2 340.471 3.193 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001734423077 1438090635 /nfs/dbraw/zinc/09/06/35/1438090635.db2.gz VXMIBVZBHSBMDM-KBXCAEBGSA-N 2 2 342.487 3.272 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001752473111 1440184738 /nfs/dbraw/zinc/18/47/38/1440184738.db2.gz IYIPNFVSBZJLRU-RDJZCZTQSA-N 2 2 342.487 3.115 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001752807339 1440215970 /nfs/dbraw/zinc/21/59/70/1440215970.db2.gz FKZWQUFJMHUHPX-SJORKVTESA-N 2 2 334.508 3.099 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCC(C)CC1 ZINC001752825322 1440223315 /nfs/dbraw/zinc/22/33/15/1440223315.db2.gz PUJPEIICCILHKA-VMWRSERWSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC001752825322 1440223316 /nfs/dbraw/zinc/22/33/16/1440223316.db2.gz PUJPEIICCILHKA-VMWRSERWSA-N 2 2 346.519 3.058 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001752995309 1440261745 /nfs/dbraw/zinc/26/17/45/1440261745.db2.gz RSQMENBAARBHNY-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001752995309 1440261746 /nfs/dbraw/zinc/26/17/46/1440261746.db2.gz RSQMENBAARBHNY-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753031834 1440273108 /nfs/dbraw/zinc/27/31/08/1440273108.db2.gz CRXDNXFJSHPLBT-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753031834 1440273109 /nfs/dbraw/zinc/27/31/09/1440273109.db2.gz CRXDNXFJSHPLBT-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(C)c1 ZINC001753091031 1440298993 /nfs/dbraw/zinc/29/89/93/1440298993.db2.gz GNSQZJJUDODLKL-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(C)c1 ZINC001753091031 1440298994 /nfs/dbraw/zinc/29/89/94/1440298994.db2.gz GNSQZJJUDODLKL-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1cccc(C)c1 ZINC001753091031 1440298995 /nfs/dbraw/zinc/29/89/95/1440298995.db2.gz GNSQZJJUDODLKL-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H](C)c1cccc(C)c1 ZINC001753091031 1440298996 /nfs/dbraw/zinc/29/89/96/1440298996.db2.gz GNSQZJJUDODLKL-IRXDYDNUSA-N 2 2 342.487 3.096 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001753275679 1440346157 /nfs/dbraw/zinc/34/61/57/1440346157.db2.gz YSCBPRLKKDNGPP-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001753275679 1440346158 /nfs/dbraw/zinc/34/61/58/1440346158.db2.gz YSCBPRLKKDNGPP-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)CC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001753505506 1440424337 /nfs/dbraw/zinc/42/43/37/1440424337.db2.gz JGSLVMYGJAWPBA-UHFFFAOYSA-N 2 2 328.460 3.241 20 0 EGADLP C[C@@H]1CCCC[C@]1(C[NH2+]CCCC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001753536816 1440432858 /nfs/dbraw/zinc/43/28/58/1440432858.db2.gz ZDFPMKCZVDHIIG-OXQOHEQNSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1)n1cc[nH+]c1 ZINC001753550736 1440435042 /nfs/dbraw/zinc/43/50/42/1440435042.db2.gz WUQFGSKNFFSGQO-RBUKOAKNSA-N 2 2 346.519 3.099 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001753621467 1440450564 /nfs/dbraw/zinc/45/05/64/1440450564.db2.gz NRUXOSCSLDJBFA-OAHLLOKOSA-N 2 2 336.524 3.095 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753704427 1440469152 /nfs/dbraw/zinc/46/91/52/1440469152.db2.gz CBPOZDFTIWFMQH-FUTAKVPZSA-N 2 2 340.471 3.279 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC001753749407 1440482083 /nfs/dbraw/zinc/48/20/83/1440482083.db2.gz JOPLVGFQLCVBQL-QGZVFWFLSA-N 2 2 348.535 3.433 20 0 EGADLP CC1CCC(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753785791 1440488114 /nfs/dbraw/zinc/48/81/14/1440488114.db2.gz KYSGKHCUQHEEMX-DAWZGUTISA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccc(F)cc2)c(C)[nH+]1 ZINC001754386571 1440593856 /nfs/dbraw/zinc/59/38/56/1440593856.db2.gz LBTNZBSBJOCKOL-UHFFFAOYSA-N 2 2 343.446 3.398 20 0 EGADLP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566746 1440635837 /nfs/dbraw/zinc/63/58/37/1440635837.db2.gz BLCJHLFOZAOKAG-QUCCMNQESA-N 2 2 346.519 3.339 20 0 EGADLP CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566746 1440635838 /nfs/dbraw/zinc/63/58/38/1440635838.db2.gz BLCJHLFOZAOKAG-QUCCMNQESA-N 2 2 346.519 3.339 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001754701285 1440668054 /nfs/dbraw/zinc/66/80/54/1440668054.db2.gz XCIYSDFPUBCZTJ-BBIZLLLXSA-N 2 2 340.471 3.132 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732656 1440680667 /nfs/dbraw/zinc/68/06/67/1440680667.db2.gz ZNKBMEBORFOXMP-UZLBHIALSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732656 1440680668 /nfs/dbraw/zinc/68/06/68/1440680668.db2.gz ZNKBMEBORFOXMP-UZLBHIALSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732656 1440680669 /nfs/dbraw/zinc/68/06/69/1440680669.db2.gz ZNKBMEBORFOXMP-UZLBHIALSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732656 1440680670 /nfs/dbraw/zinc/68/06/70/1440680670.db2.gz ZNKBMEBORFOXMP-UZLBHIALSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028438 1440730029 /nfs/dbraw/zinc/73/00/29/1440730029.db2.gz FDYGKYBTMAERIW-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028438 1440730030 /nfs/dbraw/zinc/73/00/30/1440730030.db2.gz FDYGKYBTMAERIW-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046608 1440741423 /nfs/dbraw/zinc/74/14/23/1440741423.db2.gz GEJXVYDNCMVVKV-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046608 1440741424 /nfs/dbraw/zinc/74/14/24/1440741424.db2.gz GEJXVYDNCMVVKV-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001755135404 1440758053 /nfs/dbraw/zinc/75/80/53/1440758053.db2.gz OETISFXDFUJEGG-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC001755371626 1440837320 /nfs/dbraw/zinc/83/73/20/1440837320.db2.gz RBVOQEDZQVMWQP-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CC1CCCC1 ZINC001755371626 1440837321 /nfs/dbraw/zinc/83/73/21/1440837321.db2.gz RBVOQEDZQVMWQP-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001755614807 1440888453 /nfs/dbraw/zinc/88/84/53/1440888453.db2.gz SBOMAVIBEDOTTC-QWHCGFSZSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1c[nH+]c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(C)c1 ZINC001164650383 719311032 /nfs/dbraw/zinc/31/10/32/719311032.db2.gz XHHZSCHBXPFUGG-UHFFFAOYSA-N 2 2 327.476 3.100 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531160 168369263 /nfs/dbraw/zinc/36/92/63/168369263.db2.gz TYYMLWXISNIQDK-PZJWPPBQSA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368531160 168369265 /nfs/dbraw/zinc/36/92/65/168369265.db2.gz TYYMLWXISNIQDK-PZJWPPBQSA-N 2 2 338.499 3.373 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000179432651 233026244 /nfs/dbraw/zinc/02/62/44/233026244.db2.gz QWZAXOVXQMBEPK-NRFANRHFSA-N 2 2 338.499 3.382 20 0 EGADLP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000179432651 233026247 /nfs/dbraw/zinc/02/62/47/233026247.db2.gz QWZAXOVXQMBEPK-NRFANRHFSA-N 2 2 338.499 3.382 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802111 215335274 /nfs/dbraw/zinc/33/52/74/215335274.db2.gz XGXHBPOVTYAWQP-BBRMVZONSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000068802111 215335277 /nfs/dbraw/zinc/33/52/77/215335277.db2.gz XGXHBPOVTYAWQP-BBRMVZONSA-N 2 2 330.303 3.280 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000180179968 282907175 /nfs/dbraw/zinc/90/71/75/282907175.db2.gz DAFVJRMGLVAAOZ-HNNXBMFYSA-N 2 2 334.426 3.485 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039107 213195524 /nfs/dbraw/zinc/19/55/24/213195524.db2.gz UPVNMARUIFSCGE-ZETOZRRWSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000038039107 213195526 /nfs/dbraw/zinc/19/55/26/213195526.db2.gz UPVNMARUIFSCGE-ZETOZRRWSA-N 2 2 329.257 3.407 20 0 EGADLP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000187011913 236094457 /nfs/dbraw/zinc/09/44/57/236094457.db2.gz PJBJUKWUMGMISX-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)C[NH+]1CCCC1 ZINC000187028128 236098217 /nfs/dbraw/zinc/09/82/17/236098217.db2.gz NQRPOUJGPWGERW-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000130542078 223160408 /nfs/dbraw/zinc/16/04/08/223160408.db2.gz QMECUBKTZZQVLK-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000677751237 549326325 /nfs/dbraw/zinc/32/63/25/549326325.db2.gz SOBKRPVYLRAVNF-OALUTQOASA-N 2 2 342.483 3.073 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000677751237 549326329 /nfs/dbraw/zinc/32/63/29/549326329.db2.gz SOBKRPVYLRAVNF-OALUTQOASA-N 2 2 342.483 3.073 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3F)C[C@@H]21 ZINC000230045899 242224757 /nfs/dbraw/zinc/22/47/57/242224757.db2.gz OUIGODKWVHCVCO-RIEGTJTDSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3F)C[C@@H]21 ZINC000230045899 242224762 /nfs/dbraw/zinc/22/47/62/242224762.db2.gz OUIGODKWVHCVCO-RIEGTJTDSA-N 2 2 327.241 3.147 20 0 EGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000236754500 242344373 /nfs/dbraw/zinc/34/43/73/242344373.db2.gz OUAKFDZPEJYQQX-INIZCTEOSA-N 2 2 326.444 3.198 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736223 217330077 /nfs/dbraw/zinc/33/00/77/217330077.db2.gz ZMZRHSKDTLHVOS-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736223 217330079 /nfs/dbraw/zinc/33/00/79/217330079.db2.gz ZMZRHSKDTLHVOS-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736223 217330082 /nfs/dbraw/zinc/33/00/82/217330082.db2.gz ZMZRHSKDTLHVOS-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000080736223 217330087 /nfs/dbraw/zinc/33/00/87/217330087.db2.gz ZMZRHSKDTLHVOS-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000266164090 248142873 /nfs/dbraw/zinc/14/28/73/248142873.db2.gz PPVGMRCOAYFWKH-NSHDSACASA-N 2 2 344.286 3.394 20 0 EGADLP COc1ccnc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000266534225 248349257 /nfs/dbraw/zinc/34/92/57/248349257.db2.gz GTFYDUWXDPEWLT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccnc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000266534225 248349260 /nfs/dbraw/zinc/34/92/60/248349260.db2.gz GTFYDUWXDPEWLT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000266534225 248349261 /nfs/dbraw/zinc/34/92/61/248349261.db2.gz GTFYDUWXDPEWLT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000266534225 248349263 /nfs/dbraw/zinc/34/92/63/248349263.db2.gz GTFYDUWXDPEWLT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628738 248389355 /nfs/dbraw/zinc/38/93/55/248389355.db2.gz OQOIGDKJBAEFKB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628738 248389359 /nfs/dbraw/zinc/38/93/59/248389359.db2.gz OQOIGDKJBAEFKB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628738 248389362 /nfs/dbraw/zinc/38/93/62/248389362.db2.gz OQOIGDKJBAEFKB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000266628738 248389364 /nfs/dbraw/zinc/38/93/64/248389364.db2.gz OQOIGDKJBAEFKB-IAGOWNOFSA-N 2 2 339.483 3.440 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000377630882 169051178 /nfs/dbraw/zinc/05/11/78/169051178.db2.gz XIBIRPDVYWHRAY-INIZCTEOSA-N 2 2 345.487 3.071 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633580 169052736 /nfs/dbraw/zinc/05/27/36/169052736.db2.gz VKRLCCUDPBAKNS-SZVBFZGTSA-N 2 2 331.504 3.003 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000377633580 169052737 /nfs/dbraw/zinc/05/27/37/169052737.db2.gz VKRLCCUDPBAKNS-SZVBFZGTSA-N 2 2 331.504 3.003 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000091580375 218024180 /nfs/dbraw/zinc/02/41/80/218024180.db2.gz HNCWMHTUCDEOHO-CVEARBPZSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000091580375 218024182 /nfs/dbraw/zinc/02/41/82/218024182.db2.gz HNCWMHTUCDEOHO-CVEARBPZSA-N 2 2 334.460 3.386 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000092118949 218121826 /nfs/dbraw/zinc/12/18/26/218121826.db2.gz BNVGARNCKUKAEO-KFWWJZLASA-N 2 2 326.444 3.287 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000092738261 218163574 /nfs/dbraw/zinc/16/35/74/218163574.db2.gz MWSLWYJNSGYILP-ZDUSSCGKSA-N 2 2 344.484 3.181 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597565 218234008 /nfs/dbraw/zinc/23/40/08/218234008.db2.gz HLKPGTWYEJEMNP-AWEZNQCLSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597565 218234011 /nfs/dbraw/zinc/23/40/11/218234011.db2.gz HLKPGTWYEJEMNP-AWEZNQCLSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563925 218232554 /nfs/dbraw/zinc/23/25/54/218232554.db2.gz FEXLPZCAEYAOBF-KRWDZBQOSA-N 2 2 348.487 3.163 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563925 218232556 /nfs/dbraw/zinc/23/25/56/218232556.db2.gz FEXLPZCAEYAOBF-KRWDZBQOSA-N 2 2 348.487 3.163 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770285 218248129 /nfs/dbraw/zinc/24/81/29/218248129.db2.gz PNFOEZMSZVQDPY-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770285 218248133 /nfs/dbraw/zinc/24/81/33/218248133.db2.gz PNFOEZMSZVQDPY-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770285 218248136 /nfs/dbraw/zinc/24/81/36/218248136.db2.gz PNFOEZMSZVQDPY-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093770285 218248138 /nfs/dbraw/zinc/24/81/38/218248138.db2.gz PNFOEZMSZVQDPY-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770131 218249115 /nfs/dbraw/zinc/24/91/15/218249115.db2.gz RBPOXRJRFNPFIT-ZDUSSCGKSA-N 2 2 334.414 3.129 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770131 218249116 /nfs/dbraw/zinc/24/91/16/218249116.db2.gz RBPOXRJRFNPFIT-ZDUSSCGKSA-N 2 2 334.414 3.129 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770131 218249117 /nfs/dbraw/zinc/24/91/17/218249117.db2.gz RBPOXRJRFNPFIT-ZDUSSCGKSA-N 2 2 334.414 3.129 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000093770131 218249119 /nfs/dbraw/zinc/24/91/19/218249119.db2.gz RBPOXRJRFNPFIT-ZDUSSCGKSA-N 2 2 334.414 3.129 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000095420525 218361981 /nfs/dbraw/zinc/36/19/81/218361981.db2.gz CGUNAQKJBSQIAU-QGZVFWFLSA-N 2 2 340.467 3.378 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000095445234 218388959 /nfs/dbraw/zinc/38/89/59/218388959.db2.gz VYNOMAHBLFLYHB-SFHVURJKSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000095445234 218388962 /nfs/dbraw/zinc/38/89/62/218388962.db2.gz VYNOMAHBLFLYHB-SFHVURJKSA-N 2 2 325.456 3.233 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427046 251048838 /nfs/dbraw/zinc/04/88/38/251048838.db2.gz LSUUCZACIASCLY-IUODEOHRSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1C(F)(F)F ZINC000267427046 251048841 /nfs/dbraw/zinc/04/88/41/251048841.db2.gz LSUUCZACIASCLY-IUODEOHRSA-N 2 2 339.361 3.342 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)s1)C[NH+]1CCOCC1 ZINC000153155434 224066165 /nfs/dbraw/zinc/06/61/65/224066165.db2.gz LPBXSLHHGAMLRE-RYUDHWBXSA-N 2 2 347.322 3.130 20 0 EGADLP C[C@H](C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)C[NH+]1CCOCC1 ZINC000153233056 224077280 /nfs/dbraw/zinc/07/72/80/224077280.db2.gz IRTAUBKUBCDWGZ-BZUAXINKSA-N 2 2 347.528 3.346 20 0 EGADLP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000268852672 252300090 /nfs/dbraw/zinc/30/00/90/252300090.db2.gz CIRJZWCRIQSQGZ-MJGOQNOKSA-N 2 2 333.520 3.152 20 0 EGADLP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268852672 252300092 /nfs/dbraw/zinc/30/00/92/252300092.db2.gz CIRJZWCRIQSQGZ-MJGOQNOKSA-N 2 2 333.520 3.152 20 0 EGADLP COc1ccc(OC)c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000130561614 532984847 /nfs/dbraw/zinc/98/48/47/532984847.db2.gz RXEHCSUPAUIENU-AWEZNQCLSA-N 2 2 325.412 3.245 20 0 EGADLP C[NH+](C)C[C@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000118823665 221189541 /nfs/dbraw/zinc/18/95/41/221189541.db2.gz CJAJVXQJQUUTPM-OAHLLOKOSA-N 2 2 340.427 3.289 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)c3cccnc3)c2cc1C ZINC000119362230 221303151 /nfs/dbraw/zinc/30/31/51/221303151.db2.gz OLKQRBZBXHDYCT-FUHWJXTLSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)c3cccnc3)c2cc1C ZINC000119362230 221303154 /nfs/dbraw/zinc/30/31/54/221303154.db2.gz OLKQRBZBXHDYCT-FUHWJXTLSA-N 2 2 338.455 3.102 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)C[C@H](C)O1 ZINC000119722321 221385967 /nfs/dbraw/zinc/38/59/67/221385967.db2.gz WAEQIOLJNYRAMO-STQMWFEESA-N 2 2 348.459 3.324 20 0 EGADLP C[C@](O)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000155082453 224355408 /nfs/dbraw/zinc/35/54/08/224355408.db2.gz HVFVSGXUHKUJDT-IBGZPJMESA-N 2 2 345.874 3.201 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccs1 ZINC000155157349 533456047 /nfs/dbraw/zinc/45/60/47/533456047.db2.gz OVKCGROTHLZYOZ-MRXNPFEDSA-N 2 2 346.496 3.310 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246594485 141017455 /nfs/dbraw/zinc/01/74/55/141017455.db2.gz ZRLNRIQXOFILCR-UKAVVXHISA-N 2 2 345.531 3.333 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246594485 141017457 /nfs/dbraw/zinc/01/74/57/141017457.db2.gz ZRLNRIQXOFILCR-UKAVVXHISA-N 2 2 345.531 3.333 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941514 141045409 /nfs/dbraw/zinc/04/54/09/141045409.db2.gz UEWNXRZIOVWPKH-VCBZYWHSSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246941514 141045412 /nfs/dbraw/zinc/04/54/12/141045412.db2.gz UEWNXRZIOVWPKH-VCBZYWHSSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941514 141045414 /nfs/dbraw/zinc/04/54/14/141045414.db2.gz UEWNXRZIOVWPKH-VCBZYWHSSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246941514 141045416 /nfs/dbraw/zinc/04/54/16/141045416.db2.gz UEWNXRZIOVWPKH-VCBZYWHSSA-N 2 2 345.462 3.101 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1)C1CC1 ZINC000338049613 141082134 /nfs/dbraw/zinc/08/21/34/141082134.db2.gz ZDKJYCJFNLYYOX-UHFFFAOYSA-N 2 2 348.450 3.249 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1)C1CC1 ZINC000338049613 141082135 /nfs/dbraw/zinc/08/21/35/141082135.db2.gz ZDKJYCJFNLYYOX-UHFFFAOYSA-N 2 2 348.450 3.249 20 0 EGADLP COCC[C@@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000338360302 141107451 /nfs/dbraw/zinc/10/74/51/141107451.db2.gz PSYJYXUOBYJUMM-VQIMIIECSA-N 2 2 347.503 3.055 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000341198513 141137168 /nfs/dbraw/zinc/13/71/68/141137168.db2.gz WNAGUGDEMPNJPT-UHFFFAOYSA-N 2 2 345.512 3.496 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000342812694 141150546 /nfs/dbraw/zinc/15/05/46/141150546.db2.gz MAMFBPRXXORKJB-XZJROXQQSA-N 2 2 338.293 3.225 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)C1 ZINC000342812694 141150547 /nfs/dbraw/zinc/15/05/47/141150547.db2.gz MAMFBPRXXORKJB-XZJROXQQSA-N 2 2 338.293 3.225 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344516037 141168027 /nfs/dbraw/zinc/16/80/27/141168027.db2.gz FDZOHEOSIIMHGU-PBEJRMEISA-N 2 2 340.467 3.130 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344516037 141168028 /nfs/dbraw/zinc/16/80/28/141168028.db2.gz FDZOHEOSIIMHGU-PBEJRMEISA-N 2 2 340.467 3.130 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346219123 141183197 /nfs/dbraw/zinc/18/31/97/141183197.db2.gz RAZNDOKBCJSEGA-UHFFFAOYSA-N 2 2 326.425 3.004 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346219123 141183200 /nfs/dbraw/zinc/18/32/00/141183200.db2.gz RAZNDOKBCJSEGA-UHFFFAOYSA-N 2 2 326.425 3.004 20 0 EGADLP C[C@H]([NH2+]Cc1nc2cccnc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923675 141217415 /nfs/dbraw/zinc/21/74/15/141217415.db2.gz DBHDLXLENYCSNT-UONOGXRCSA-N 2 2 330.501 3.434 20 0 EGADLP C[C@H]([NH2+]Cc1nc2cccnc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347923675 141217416 /nfs/dbraw/zinc/21/74/16/141217416.db2.gz DBHDLXLENYCSNT-UONOGXRCSA-N 2 2 330.501 3.434 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000352935550 141272444 /nfs/dbraw/zinc/27/24/44/141272444.db2.gz ZMEFHDUDJZHCKH-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1OCC ZINC000352935550 141272445 /nfs/dbraw/zinc/27/24/45/141272445.db2.gz ZMEFHDUDJZHCKH-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1OCC ZINC000352935550 141272446 /nfs/dbraw/zinc/27/24/46/141272446.db2.gz ZMEFHDUDJZHCKH-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OCC ZINC000352935550 141272447 /nfs/dbraw/zinc/27/24/47/141272447.db2.gz ZMEFHDUDJZHCKH-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)C1 ZINC000352969037 141280402 /nfs/dbraw/zinc/28/04/02/141280402.db2.gz PVLUJGMRKIAECK-COPLHBTASA-N 2 2 332.414 3.053 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)C1 ZINC000352969037 141280405 /nfs/dbraw/zinc/28/04/05/141280405.db2.gz PVLUJGMRKIAECK-COPLHBTASA-N 2 2 332.414 3.053 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000352973076 141281015 /nfs/dbraw/zinc/28/10/15/141281015.db2.gz KSYBPBTZCRRDTE-IRXDYDNUSA-N 2 2 335.923 3.330 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c[nH+]1 ZINC000353458828 141301232 /nfs/dbraw/zinc/30/12/32/141301232.db2.gz LBHOAXIRAVHTEF-KDURUIRLSA-N 3 2 345.531 3.144 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c[nH+]1 ZINC000353458828 141301233 /nfs/dbraw/zinc/30/12/33/141301233.db2.gz LBHOAXIRAVHTEF-KDURUIRLSA-N 3 2 345.531 3.144 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000186509877 144136057 /nfs/dbraw/zinc/13/60/57/144136057.db2.gz SBPFPASRIAHJMT-MJGOQNOKSA-N 2 2 331.504 3.231 20 0 EGADLP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCCC1 ZINC000186509877 144136058 /nfs/dbraw/zinc/13/60/58/144136058.db2.gz SBPFPASRIAHJMT-MJGOQNOKSA-N 2 2 331.504 3.231 20 0 EGADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186825594 144144334 /nfs/dbraw/zinc/14/43/34/144144334.db2.gz JRXPRLATXJQEKI-VQTJNVASSA-N 2 2 331.504 3.229 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344624246 144201328 /nfs/dbraw/zinc/20/13/28/144201328.db2.gz IIACVWDDAQDMNZ-MLGOLLRUSA-N 2 2 348.441 3.340 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344624246 144201329 /nfs/dbraw/zinc/20/13/29/144201329.db2.gz IIACVWDDAQDMNZ-MLGOLLRUSA-N 2 2 348.441 3.340 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344626420 144201877 /nfs/dbraw/zinc/20/18/77/144201877.db2.gz XYHZZCKXSRPTDZ-GOSISDBHSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000344626420 144201878 /nfs/dbraw/zinc/20/18/78/144201878.db2.gz XYHZZCKXSRPTDZ-GOSISDBHSA-N 2 2 340.471 3.031 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516321 144272968 /nfs/dbraw/zinc/27/29/68/144272968.db2.gz XKKYSYQJOYLUCJ-YADHBBJMSA-N 2 2 336.479 3.241 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516321 144272969 /nfs/dbraw/zinc/27/29/69/144272969.db2.gz XKKYSYQJOYLUCJ-YADHBBJMSA-N 2 2 336.479 3.241 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516321 144272971 /nfs/dbraw/zinc/27/29/71/144272971.db2.gz XKKYSYQJOYLUCJ-YADHBBJMSA-N 2 2 336.479 3.241 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625627 144289388 /nfs/dbraw/zinc/28/93/88/144289388.db2.gz AXUXLVOBGSRXIY-MAUKXSAKSA-N 2 2 347.532 3.090 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625627 144289389 /nfs/dbraw/zinc/28/93/89/144289389.db2.gz AXUXLVOBGSRXIY-MAUKXSAKSA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625627 144289391 /nfs/dbraw/zinc/28/93/91/144289391.db2.gz AXUXLVOBGSRXIY-MAUKXSAKSA-N 2 2 347.532 3.090 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2scnc2C)[C@@H]1c1cnn(C)c1 ZINC000351625627 144289392 /nfs/dbraw/zinc/28/93/92/144289392.db2.gz AXUXLVOBGSRXIY-MAUKXSAKSA-N 2 2 347.532 3.090 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000363758501 144363282 /nfs/dbraw/zinc/36/32/82/144363282.db2.gz QKPUOBCGUFRXBP-KRWDZBQOSA-N 2 2 344.890 3.175 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)n1C ZINC000341085200 155149966 /nfs/dbraw/zinc/14/99/66/155149966.db2.gz ZKYPXJWPDQBGFP-UHFFFAOYSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1C ZINC000341113026 155166030 /nfs/dbraw/zinc/16/60/30/155166030.db2.gz DMDMPTRZBBBQBK-IAGOWNOFSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000115354963 152009174 /nfs/dbraw/zinc/00/91/74/152009174.db2.gz OOXZEGFOINTXRW-UHFFFAOYSA-N 2 2 339.439 3.254 20 0 EGADLP Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)sc1C ZINC000116396087 152057214 /nfs/dbraw/zinc/05/72/14/152057214.db2.gz IMWQVFBXODIYMJ-TZMCWYRMSA-N 2 2 340.537 3.043 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000117970488 152123548 /nfs/dbraw/zinc/12/35/48/152123548.db2.gz AYTQULPZDVDKHQ-MRXNPFEDSA-N 2 2 346.434 3.258 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000117970488 152123551 /nfs/dbraw/zinc/12/35/51/152123551.db2.gz AYTQULPZDVDKHQ-MRXNPFEDSA-N 2 2 346.434 3.258 20 0 EGADLP Cc1cccn2c(CN3CC[NH+](Cc4cccs4)CC3)c[nH+]c12 ZINC000119899329 152237031 /nfs/dbraw/zinc/23/70/31/152237031.db2.gz KMBRGPXBZXVTLU-UHFFFAOYSA-N 2 2 326.469 3.022 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCOc4ccccc43)CC2)nc1 ZINC000341583995 155366098 /nfs/dbraw/zinc/36/60/98/155366098.db2.gz FCVSPEMELFBIHX-QGZVFWFLSA-N 2 2 337.467 3.202 20 0 EGADLP CC(C)n1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161891 154147891 /nfs/dbraw/zinc/14/78/91/154147891.db2.gz PSGIBRMWJDYOBC-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161891 154147892 /nfs/dbraw/zinc/14/78/92/154147892.db2.gz PSGIBRMWJDYOBC-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161891 154147894 /nfs/dbraw/zinc/14/78/94/154147894.db2.gz PSGIBRMWJDYOBC-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000311161891 154147897 /nfs/dbraw/zinc/14/78/97/154147897.db2.gz PSGIBRMWJDYOBC-UXHICEINSA-N 2 2 338.499 3.418 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1OC ZINC000337358439 154305845 /nfs/dbraw/zinc/30/58/45/154305845.db2.gz BOYXJZFUZDDZFM-KRWDZBQOSA-N 2 2 334.504 3.265 20 0 EGADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000337495189 154380900 /nfs/dbraw/zinc/38/09/00/154380900.db2.gz YATUQYRCKAXVIB-RBUKOAKNSA-N 2 2 338.536 3.064 20 0 EGADLP Cc1cnc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1C ZINC000341002981 155121780 /nfs/dbraw/zinc/12/17/80/155121780.db2.gz FAYDNOKJJPEPPY-UHFFFAOYSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2cccc(C[NH+]3CCC(C)CC3)c2)n1C ZINC000341002981 155121782 /nfs/dbraw/zinc/12/17/82/155121782.db2.gz FAYDNOKJJPEPPY-UHFFFAOYSA-N 2 2 326.488 3.250 20 0 EGADLP CC(C)n1cc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000346950671 156211272 /nfs/dbraw/zinc/21/12/72/156211272.db2.gz TXCLDYVIDWJKDL-CRAIPNDOSA-N 2 2 342.491 3.172 20 0 EGADLP FC(F)(F)c1ccc([C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971367 156222570 /nfs/dbraw/zinc/22/25/70/156222570.db2.gz HBMMBAUYYQIFCL-CZUORRHYSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1ccc([C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000346971367 156222572 /nfs/dbraw/zinc/22/25/72/156222572.db2.gz HBMMBAUYYQIFCL-CZUORRHYSA-N 2 2 328.378 3.078 20 0 EGADLP COCC[N@H+](C)CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)c1ccccc1 ZINC000347026951 156257425 /nfs/dbraw/zinc/25/74/25/156257425.db2.gz DCKAUILGWNLJLD-GOSISDBHSA-N 2 2 342.487 3.143 20 0 EGADLP COCC[N@@H+](C)CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)c1ccccc1 ZINC000347026951 156257428 /nfs/dbraw/zinc/25/74/28/156257428.db2.gz DCKAUILGWNLJLD-GOSISDBHSA-N 2 2 342.487 3.143 20 0 EGADLP Fc1ccc2cc[nH+]c(N3CCC(OCC[NH+]4CCCC4)CC3)c2c1 ZINC000354545504 156572490 /nfs/dbraw/zinc/57/24/90/156572490.db2.gz UGTVVBOKCKVZFI-UHFFFAOYSA-N 2 2 343.446 3.455 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000365650830 157204728 /nfs/dbraw/zinc/20/47/28/157204728.db2.gz TVSKECAENPYMJP-AWEZNQCLSA-N 2 2 347.846 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000365650830 157204729 /nfs/dbraw/zinc/20/47/29/157204729.db2.gz TVSKECAENPYMJP-AWEZNQCLSA-N 2 2 347.846 3.224 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000365700629 157221353 /nfs/dbraw/zinc/22/13/53/157221353.db2.gz ISIWJMXIJOXZLK-APWZRJJASA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000365700629 157221357 /nfs/dbraw/zinc/22/13/57/157221357.db2.gz ISIWJMXIJOXZLK-APWZRJJASA-N 2 2 335.923 3.106 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)C2 ZINC000372830856 157393880 /nfs/dbraw/zinc/39/38/80/157393880.db2.gz YEBATRRTHMVKRI-SJORKVTESA-N 2 2 325.456 3.225 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093792867 162028057 /nfs/dbraw/zinc/02/80/57/162028057.db2.gz ATUKEDSJVUKMHX-DYXWJJEUSA-N 2 2 344.499 3.303 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093792867 162028058 /nfs/dbraw/zinc/02/80/58/162028058.db2.gz ATUKEDSJVUKMHX-DYXWJJEUSA-N 2 2 344.499 3.303 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093792867 162028059 /nfs/dbraw/zinc/02/80/59/162028059.db2.gz ATUKEDSJVUKMHX-DYXWJJEUSA-N 2 2 344.499 3.303 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000093792867 162028060 /nfs/dbraw/zinc/02/80/60/162028060.db2.gz ATUKEDSJVUKMHX-DYXWJJEUSA-N 2 2 344.499 3.303 20 0 EGADLP C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000121839052 162247616 /nfs/dbraw/zinc/24/76/16/162247616.db2.gz BMRVWGQAVLOKHC-DVECYGJZSA-N 2 2 339.464 3.082 20 0 EGADLP Cc1oncc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249089592 163055586 /nfs/dbraw/zinc/05/55/86/163055586.db2.gz CTSCFQPUIXFSJU-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249089592 163055589 /nfs/dbraw/zinc/05/55/89/163055589.db2.gz CTSCFQPUIXFSJU-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249089592 163055591 /nfs/dbraw/zinc/05/55/91/163055591.db2.gz CTSCFQPUIXFSJU-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249089592 163055594 /nfs/dbraw/zinc/05/55/94/163055594.db2.gz CTSCFQPUIXFSJU-AZUAARDMSA-N 2 2 325.456 3.470 20 0 EGADLP CCc1cc(OC)ccc1C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000337261549 163185336 /nfs/dbraw/zinc/18/53/36/163185336.db2.gz QKOSIAOYBYXQMC-LPHOPBHVSA-N 2 2 329.444 3.001 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)c[nH+]1 ZINC000354330005 166004132 /nfs/dbraw/zinc/00/41/32/166004132.db2.gz NBFJAERIXKQEQL-ZWKOTPCHSA-N 2 2 334.410 3.150 20 0 EGADLP COc1cccc(N2CC[C@H]([NH2+]CCCc3ccc(C)[nH+]c3)C2)c1 ZINC000354330419 166004659 /nfs/dbraw/zinc/00/46/59/166004659.db2.gz AGJQZCWMECGUOM-SFHVURJKSA-N 2 2 325.456 3.200 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)c[nH+]1 ZINC000354330302 166004757 /nfs/dbraw/zinc/00/47/57/166004757.db2.gz NWQJKIGVJPWQPG-CQSZACIVSA-N 2 2 325.412 3.004 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@H](C)C1 ZINC000354334349 166004844 /nfs/dbraw/zinc/00/48/44/166004844.db2.gz MULZMEXSWVBVAG-XLIONFOSSA-N 3 2 333.520 3.049 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(C)[nH+]c2)[C@H](C)C1 ZINC000354334349 166004846 /nfs/dbraw/zinc/00/48/46/166004846.db2.gz MULZMEXSWVBVAG-XLIONFOSSA-N 3 2 333.520 3.049 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354336652 166005033 /nfs/dbraw/zinc/00/50/33/166005033.db2.gz YFYRGOSMAMFHFU-NBMJBFSESA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000354336652 166005035 /nfs/dbraw/zinc/00/50/35/166005035.db2.gz YFYRGOSMAMFHFU-NBMJBFSESA-N 2 2 332.488 3.074 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000338924702 163389561 /nfs/dbraw/zinc/38/95/61/163389561.db2.gz JNWJQQJGJCUZOL-KRWDZBQOSA-N 2 2 345.531 3.453 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000338924702 163389565 /nfs/dbraw/zinc/38/95/65/163389565.db2.gz JNWJQQJGJCUZOL-KRWDZBQOSA-N 2 2 345.531 3.453 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988182 164077756 /nfs/dbraw/zinc/07/77/56/164077756.db2.gz YQJLXJQJPFYBAN-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988182 164077757 /nfs/dbraw/zinc/07/77/57/164077757.db2.gz YQJLXJQJPFYBAN-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988181 164077846 /nfs/dbraw/zinc/07/78/46/164077846.db2.gz YQJLXJQJPFYBAN-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000343988181 164077849 /nfs/dbraw/zinc/07/78/49/164077849.db2.gz YQJLXJQJPFYBAN-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C12CCCC2 ZINC000344161570 164116554 /nfs/dbraw/zinc/11/65/54/164116554.db2.gz GQZKQRTXKODZPV-QZTJIDSGSA-N 2 2 338.536 3.203 20 0 EGADLP Cc1nc([C@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)cs1 ZINC000344208442 164126924 /nfs/dbraw/zinc/12/69/24/164126924.db2.gz HFZVUJWWUMNVRN-HNNXBMFYSA-N 2 2 337.533 3.385 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352369683 165368577 /nfs/dbraw/zinc/36/85/77/165368577.db2.gz RPVQZEAGPPBRAV-KRWDZBQOSA-N 2 2 334.460 3.211 20 0 EGADLP Cc1cnc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237214 166143199 /nfs/dbraw/zinc/14/31/99/166143199.db2.gz MECKCKKFIUXQBI-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000355237214 166143203 /nfs/dbraw/zinc/14/32/03/166143203.db2.gz MECKCKKFIUXQBI-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000355237214 166143205 /nfs/dbraw/zinc/14/32/05/166143205.db2.gz MECKCKKFIUXQBI-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000355237214 166143208 /nfs/dbraw/zinc/14/32/08/166143208.db2.gz MECKCKKFIUXQBI-FPOVZHCZSA-N 2 2 336.483 3.272 20 0 EGADLP COC1CCC(C)(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000359002811 167035412 /nfs/dbraw/zinc/03/54/12/167035412.db2.gz PQAPUSGBCCSTJT-AFVILVPDSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(C)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000359002811 167035413 /nfs/dbraw/zinc/03/54/13/167035413.db2.gz PQAPUSGBCCSTJT-AFVILVPDSA-N 2 2 345.531 3.477 20 0 EGADLP CSc1cccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000359306455 167120571 /nfs/dbraw/zinc/12/05/71/167120571.db2.gz MGKOHPORRRLKKM-UHFFFAOYSA-N 2 2 343.496 3.198 20 0 EGADLP CSc1cccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000359306455 167120576 /nfs/dbraw/zinc/12/05/76/167120576.db2.gz MGKOHPORRRLKKM-UHFFFAOYSA-N 2 2 343.496 3.198 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320831 167125776 /nfs/dbraw/zinc/12/57/76/167125776.db2.gz KNXDLVVXJTXRSG-XZOAIXRZSA-N 2 2 329.444 3.303 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320831 167125779 /nfs/dbraw/zinc/12/57/79/167125779.db2.gz KNXDLVVXJTXRSG-XZOAIXRZSA-N 2 2 329.444 3.303 20 0 EGADLP COc1ccc2oc([C@@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)c(C)c2c1 ZINC000360339599 167306526 /nfs/dbraw/zinc/30/65/26/167306526.db2.gz VFMJVHLZDBKLRO-OAHLLOKOSA-N 2 2 346.471 3.247 20 0 EGADLP C[C@H](CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792281 168044413 /nfs/dbraw/zinc/04/44/13/168044413.db2.gz BLSXPSSEEUZWJR-SFHLNBCPSA-N 2 2 329.532 3.138 20 0 EGADLP C[C@H](CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000365792281 168044415 /nfs/dbraw/zinc/04/44/15/168044415.db2.gz BLSXPSSEEUZWJR-SFHLNBCPSA-N 2 2 329.532 3.138 20 0 EGADLP COCc1cc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC ZINC000367434968 168225420 /nfs/dbraw/zinc/22/54/20/168225420.db2.gz AKLGCFYYQDLFET-CQSZACIVSA-N 2 2 329.444 3.225 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367599510 168247427 /nfs/dbraw/zinc/24/74/27/168247427.db2.gz HVCURMAEPUHCCJ-SFHVURJKSA-N 2 2 334.508 3.122 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc[nH+]1 ZINC000179792452 265387836 /nfs/dbraw/zinc/38/78/36/265387836.db2.gz DYSILQOUCCJYRW-INIZCTEOSA-N 2 2 332.835 3.468 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349895 266281418 /nfs/dbraw/zinc/28/14/18/266281418.db2.gz FRCRNVRIGBKXNN-BBRMVZONSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349895 266281421 /nfs/dbraw/zinc/28/14/21/266281421.db2.gz FRCRNVRIGBKXNN-BBRMVZONSA-N 2 2 344.846 3.048 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c3c2CCC3)cc1 ZINC000269966950 266392034 /nfs/dbraw/zinc/39/20/34/266392034.db2.gz NKMWRJHTFJDUNC-SJLPKXTDSA-N 2 2 336.483 3.077 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c3c2CCC3)cc1 ZINC000269966950 266392036 /nfs/dbraw/zinc/39/20/36/266392036.db2.gz NKMWRJHTFJDUNC-SJLPKXTDSA-N 2 2 336.483 3.077 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258175 266804300 /nfs/dbraw/zinc/80/43/00/266804300.db2.gz AJVDFGVRNPYDFS-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258175 266804302 /nfs/dbraw/zinc/80/43/02/266804302.db2.gz AJVDFGVRNPYDFS-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258175 266804305 /nfs/dbraw/zinc/80/43/05/266804305.db2.gz AJVDFGVRNPYDFS-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@H]2C1 ZINC000272258175 266804308 /nfs/dbraw/zinc/80/43/08/266804308.db2.gz AJVDFGVRNPYDFS-ZBFHGGJFSA-N 2 2 328.378 3.154 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000273881373 267132297 /nfs/dbraw/zinc/13/22/97/267132297.db2.gz RFJWVEJRRJQPAD-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ncc2F)C1 ZINC000273881373 267132298 /nfs/dbraw/zinc/13/22/98/267132298.db2.gz RFJWVEJRRJQPAD-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000275268231 267338756 /nfs/dbraw/zinc/33/87/56/267338756.db2.gz BLVAQOBOLLDIJA-NSHDSACASA-N 2 2 332.261 3.364 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000275268231 267338759 /nfs/dbraw/zinc/33/87/59/267338759.db2.gz BLVAQOBOLLDIJA-NSHDSACASA-N 2 2 332.261 3.364 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000109787685 275179341 /nfs/dbraw/zinc/17/93/41/275179341.db2.gz UFXUOJXHSZNFIK-UHFFFAOYSA-N 2 2 341.858 3.224 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000109787685 275179342 /nfs/dbraw/zinc/17/93/42/275179342.db2.gz UFXUOJXHSZNFIK-UHFFFAOYSA-N 2 2 341.858 3.224 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054764 275223344 /nfs/dbraw/zinc/22/33/44/275223344.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 3 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054764 275223346 /nfs/dbraw/zinc/22/33/46/275223346.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 3 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054764 275223347 /nfs/dbraw/zinc/22/33/47/275223347.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 3 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192054764 275223348 /nfs/dbraw/zinc/22/33/48/275223348.db2.gz FSSYRCQZHHOKQJ-SFHVURJKSA-N 3 2 326.488 3.344 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278691769 275266138 /nfs/dbraw/zinc/26/61/38/275266138.db2.gz OQSAOQUJOYTDDL-MRXNPFEDSA-N 2 2 330.819 3.091 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278691769 275266140 /nfs/dbraw/zinc/26/61/40/275266140.db2.gz OQSAOQUJOYTDDL-MRXNPFEDSA-N 2 2 330.819 3.091 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000278709382 275267588 /nfs/dbraw/zinc/26/75/88/275267588.db2.gz UHHMCSHJNMRKDM-IAGOWNOFSA-N 2 2 345.487 3.023 20 0 EGADLP Cn1c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2ccccc21 ZINC000278964988 275291819 /nfs/dbraw/zinc/29/18/19/275291819.db2.gz XDCVHDSQLIMZJL-UHFFFAOYSA-N 2 2 349.482 3.486 20 0 EGADLP COC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000279619379 275344631 /nfs/dbraw/zinc/34/46/31/275344631.db2.gz YEFMRJGFESLMBZ-YJBOKZPZSA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000279619379 275344632 /nfs/dbraw/zinc/34/46/32/275344632.db2.gz YEFMRJGFESLMBZ-YJBOKZPZSA-N 2 2 340.895 3.118 20 0 EGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000279638561 275345968 /nfs/dbraw/zinc/34/59/68/275345968.db2.gz ALZCPQIELSQTGA-LAUBAEHRSA-N 2 2 339.483 3.412 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000280048758 275397008 /nfs/dbraw/zinc/39/70/08/275397008.db2.gz XJAXLXBEHGVFCK-BOHLSTHVSA-N 2 2 332.488 3.245 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)nc1 ZINC000282084398 275601656 /nfs/dbraw/zinc/60/16/56/275601656.db2.gz XXJDVZBOQSDWNM-SFHVURJKSA-N 2 2 346.478 3.284 20 0 EGADLP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000282557218 275647248 /nfs/dbraw/zinc/64/72/48/275647248.db2.gz DDDUSXAQNVBDRI-MRXNPFEDSA-N 3 2 349.950 3.419 20 0 EGADLP COc1ncc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1Cl ZINC000284515754 275806515 /nfs/dbraw/zinc/80/65/15/275806515.db2.gz WHXUYSLLFNRILY-GFCCVEGCSA-N 2 2 330.819 3.285 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000286262921 275972162 /nfs/dbraw/zinc/97/21/62/275972162.db2.gz GVWKKUCHFZXZJT-DZGCQCFKSA-N 2 2 331.847 3.188 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CS1 ZINC000366772610 276001589 /nfs/dbraw/zinc/00/15/89/276001589.db2.gz KVWAJZSYDAUUQN-IRXDYDNUSA-N 2 2 326.550 3.141 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1nncn1C ZINC000287372072 276113067 /nfs/dbraw/zinc/11/30/67/276113067.db2.gz ZFBGUSIGLNCCND-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1nncn1C ZINC000287372072 276113068 /nfs/dbraw/zinc/11/30/68/276113068.db2.gz ZFBGUSIGLNCCND-HZPDHXFCSA-N 2 2 327.476 3.040 20 0 EGADLP COCCc1cc[nH+]c(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000287616700 276140202 /nfs/dbraw/zinc/14/02/02/276140202.db2.gz STHMXRAMGWDTCR-UHFFFAOYSA-N 2 2 325.456 3.347 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000289206681 276304427 /nfs/dbraw/zinc/30/44/27/276304427.db2.gz WDIGBEXIVCNRKA-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000289206681 276304428 /nfs/dbraw/zinc/30/44/28/276304428.db2.gz WDIGBEXIVCNRKA-QGZVFWFLSA-N 2 2 333.476 3.264 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]3COCC[C@@H]32)[nH+]1 ZINC000289256553 276312333 /nfs/dbraw/zinc/31/23/33/276312333.db2.gz FKYRBWJLVLMWNF-ZCNNSNEGSA-N 2 2 333.435 3.339 20 0 EGADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]3COCC[C@@H]32)[nH+]1 ZINC000289256553 276312334 /nfs/dbraw/zinc/31/23/34/276312334.db2.gz FKYRBWJLVLMWNF-ZCNNSNEGSA-N 2 2 333.435 3.339 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000289354143 276326586 /nfs/dbraw/zinc/32/65/86/276326586.db2.gz HRLVWZDLILABLV-QGZVFWFLSA-N 2 2 347.503 3.267 20 0 EGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1OC ZINC000289699401 276380280 /nfs/dbraw/zinc/38/02/80/276380280.db2.gz FYFZEWYKZMXWBG-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1OC ZINC000289699401 276380282 /nfs/dbraw/zinc/38/02/82/276380282.db2.gz FYFZEWYKZMXWBG-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1OC ZINC000289699401 276380283 /nfs/dbraw/zinc/38/02/83/276380283.db2.gz FYFZEWYKZMXWBG-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1OC ZINC000289699401 276380285 /nfs/dbraw/zinc/38/02/85/276380285.db2.gz FYFZEWYKZMXWBG-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861527 276383145 /nfs/dbraw/zinc/38/31/45/276383145.db2.gz PIKWJPMUZNMXOD-IRXDYDNUSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861527 276383148 /nfs/dbraw/zinc/38/31/48/276383148.db2.gz PIKWJPMUZNMXOD-IRXDYDNUSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861527 276383149 /nfs/dbraw/zinc/38/31/49/276383149.db2.gz PIKWJPMUZNMXOD-IRXDYDNUSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861527 276383151 /nfs/dbraw/zinc/38/31/51/276383151.db2.gz PIKWJPMUZNMXOD-IRXDYDNUSA-N 2 2 347.503 3.219 20 0 EGADLP C[N@H+](Cc1c(C2CC2)nc2sccn12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289768836 276390919 /nfs/dbraw/zinc/39/09/19/276390919.db2.gz RGDNMZVFSIKWJN-YIONKMFJSA-N 2 2 330.501 3.330 20 0 EGADLP C[N@@H+](Cc1c(C2CC2)nc2sccn12)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289768836 276390920 /nfs/dbraw/zinc/39/09/20/276390920.db2.gz RGDNMZVFSIKWJN-YIONKMFJSA-N 2 2 330.501 3.330 20 0 EGADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289768836 276390922 /nfs/dbraw/zinc/39/09/22/276390922.db2.gz RGDNMZVFSIKWJN-YIONKMFJSA-N 2 2 330.501 3.330 20 0 EGADLP C[NH+](Cc1c(C2CC2)nc2sccn12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289768836 276390923 /nfs/dbraw/zinc/39/09/23/276390923.db2.gz RGDNMZVFSIKWJN-YIONKMFJSA-N 2 2 330.501 3.330 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291299301 276622647 /nfs/dbraw/zinc/62/26/47/276622647.db2.gz WNUSDZUVYNMYMW-UHFFFAOYSA-N 2 2 333.386 3.196 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178056 277086698 /nfs/dbraw/zinc/08/66/98/277086698.db2.gz TUKSJGJXRDWCEL-FQEVSTJZSA-N 2 2 331.479 3.344 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178056 277086699 /nfs/dbraw/zinc/08/66/99/277086699.db2.gz TUKSJGJXRDWCEL-FQEVSTJZSA-N 2 2 331.479 3.344 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178056 277086700 /nfs/dbraw/zinc/08/67/00/277086700.db2.gz TUKSJGJXRDWCEL-FQEVSTJZSA-N 2 2 331.479 3.344 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178056 277086701 /nfs/dbraw/zinc/08/67/01/277086701.db2.gz TUKSJGJXRDWCEL-FQEVSTJZSA-N 2 2 331.479 3.344 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000346993939 277275573 /nfs/dbraw/zinc/27/55/73/277275573.db2.gz BJCAEYRCGPYUHT-LBPRGKRZSA-N 2 2 340.393 3.024 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000346993939 277275574 /nfs/dbraw/zinc/27/55/74/277275574.db2.gz BJCAEYRCGPYUHT-LBPRGKRZSA-N 2 2 340.393 3.024 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000071911929 278060294 /nfs/dbraw/zinc/06/02/94/278060294.db2.gz FCQHFMSZZBIJBQ-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000071911929 278060295 /nfs/dbraw/zinc/06/02/95/278060295.db2.gz FCQHFMSZZBIJBQ-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000071911929 278060296 /nfs/dbraw/zinc/06/02/96/278060296.db2.gz FCQHFMSZZBIJBQ-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000071911929 278060297 /nfs/dbraw/zinc/06/02/97/278060297.db2.gz FCQHFMSZZBIJBQ-IAGOWNOFSA-N 2 2 331.504 3.411 20 0 EGADLP C[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000195031737 279348884 /nfs/dbraw/zinc/34/88/84/279348884.db2.gz DWTIGDWDVWDHQA-VQIMIIECSA-N 2 2 335.455 3.004 20 0 EGADLP C[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000195031737 279348885 /nfs/dbraw/zinc/34/88/85/279348885.db2.gz DWTIGDWDVWDHQA-VQIMIIECSA-N 2 2 335.455 3.004 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)c[nH+]1 ZINC000371318441 280294087 /nfs/dbraw/zinc/29/40/87/280294087.db2.gz WTIVGKFJSHBUFR-ROUUACIJSA-N 2 2 344.503 3.239 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)c[nH+]1 ZINC000371318441 280294089 /nfs/dbraw/zinc/29/40/89/280294089.db2.gz WTIVGKFJSHBUFR-ROUUACIJSA-N 2 2 344.503 3.239 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661757 288361955 /nfs/dbraw/zinc/36/19/55/288361955.db2.gz YAYWPWCADKBLDL-WZPWBUNQSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661757 288361956 /nfs/dbraw/zinc/36/19/56/288361956.db2.gz YAYWPWCADKBLDL-WZPWBUNQSA-N 2 2 340.870 3.487 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000345122843 295343650 /nfs/dbraw/zinc/34/36/50/295343650.db2.gz AKYHSNGFHDYFJA-GDBMZVCRSA-N 2 2 331.485 3.034 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000358154570 298432909 /nfs/dbraw/zinc/43/29/09/298432909.db2.gz KRTYFPUAZQQRQU-PBHICJAKSA-N 2 2 338.879 3.254 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116395930 307483600 /nfs/dbraw/zinc/48/36/00/307483600.db2.gz ZXKZTDCQYIVTBN-YJBOKZPZSA-N 2 2 349.519 3.287 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116395933 307483739 /nfs/dbraw/zinc/48/37/39/307483739.db2.gz ZXKZTDCQYIVTBN-MAUKXSAKSA-N 2 2 349.519 3.287 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125022287 307552994 /nfs/dbraw/zinc/55/29/94/307552994.db2.gz UXPQJUFOFNZCOG-AZUAARDMSA-N 2 2 345.531 3.369 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000414069057 309058849 /nfs/dbraw/zinc/05/88/49/309058849.db2.gz RFZLRQHJFGPVAP-INIZCTEOSA-N 2 2 336.439 3.056 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000414087067 309060214 /nfs/dbraw/zinc/06/02/14/309060214.db2.gz ZYEOLUZYWAKZBX-QFBILLFUSA-N 2 2 327.472 3.222 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153274941 307769604 /nfs/dbraw/zinc/76/96/04/307769604.db2.gz TXEQPWKJTUTKHT-ZIAGYGMSSA-N 2 2 339.549 3.368 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)nn1C ZINC000414246525 309068535 /nfs/dbraw/zinc/06/85/35/309068535.db2.gz BQFUDWXUVZETQT-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)CC1 ZINC000414272705 309070033 /nfs/dbraw/zinc/07/00/33/309070033.db2.gz YGXGTBXJTOBERU-UHFFFAOYSA-N 2 2 330.451 3.284 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000158901401 307865352 /nfs/dbraw/zinc/86/53/52/307865352.db2.gz ZVAYKKVGFLWVIY-ZBFHGGJFSA-N 2 2 340.895 3.092 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414288679 309070736 /nfs/dbraw/zinc/07/07/36/309070736.db2.gz LRPSYOVRPOCHHS-BSIFCXSSSA-N 2 2 342.458 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414288679 309070737 /nfs/dbraw/zinc/07/07/37/309070737.db2.gz LRPSYOVRPOCHHS-BSIFCXSSSA-N 2 2 342.458 3.012 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1csnn1 ZINC000414298004 309071282 /nfs/dbraw/zinc/07/12/82/309071282.db2.gz IITZDYBHDUUYON-RKTXRCNFSA-N 2 2 328.485 3.099 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1csnn1 ZINC000414298004 309071283 /nfs/dbraw/zinc/07/12/83/309071283.db2.gz IITZDYBHDUUYON-RKTXRCNFSA-N 2 2 328.485 3.099 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323876 309072978 /nfs/dbraw/zinc/07/29/78/309072978.db2.gz AZBMPUKEWRYSPW-XLIONFOSSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1cccnc1 ZINC000414323876 309072979 /nfs/dbraw/zinc/07/29/79/309072979.db2.gz AZBMPUKEWRYSPW-XLIONFOSSA-N 2 2 338.499 3.254 20 0 EGADLP Clc1cccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000162928945 307917866 /nfs/dbraw/zinc/91/78/66/307917866.db2.gz UNQZAUZUJQKLHF-UHFFFAOYSA-N 2 2 336.786 3.476 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(OCC2CC2)c(F)c1 ZINC000414380554 309076606 /nfs/dbraw/zinc/07/66/06/309076606.db2.gz OQAJUNVBGQWDQJ-CYBMUJFWSA-N 2 2 346.450 3.265 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249169617 308020503 /nfs/dbraw/zinc/02/05/03/308020503.db2.gz APCIWNDLCIRDRJ-QZTJIDSGSA-N 2 2 330.451 3.492 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249169617 308020504 /nfs/dbraw/zinc/02/05/04/308020504.db2.gz APCIWNDLCIRDRJ-QZTJIDSGSA-N 2 2 330.451 3.492 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056671 308094946 /nfs/dbraw/zinc/09/49/46/308094946.db2.gz UMWLAXOQMFQTSU-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056671 308094948 /nfs/dbraw/zinc/09/49/48/308094948.db2.gz UMWLAXOQMFQTSU-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056671 308094949 /nfs/dbraw/zinc/09/49/49/308094949.db2.gz UMWLAXOQMFQTSU-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)Nc3ccc4ccccc4c3)C2)C1 ZINC000293056671 308094950 /nfs/dbraw/zinc/09/49/50/308094950.db2.gz UMWLAXOQMFQTSU-NRFANRHFSA-N 2 2 337.467 3.196 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccnc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000293763182 308159500 /nfs/dbraw/zinc/15/95/00/308159500.db2.gz KFESOCYYWGPEIB-GXTWGEPZSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccnc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000293763182 308159501 /nfs/dbraw/zinc/15/95/01/308159501.db2.gz KFESOCYYWGPEIB-GXTWGEPZSA-N 2 2 335.249 3.124 20 0 EGADLP CC[C@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](CC)CC ZINC000294213917 308200567 /nfs/dbraw/zinc/20/05/67/308200567.db2.gz PLOYXPFJSGZHJU-IAGOWNOFSA-N 2 2 328.460 3.078 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000294760099 308253731 /nfs/dbraw/zinc/25/37/31/308253731.db2.gz DYMOJVRLBPPVOB-MRXNPFEDSA-N 2 2 344.478 3.400 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925301 308272142 /nfs/dbraw/zinc/27/21/42/308272142.db2.gz XDWBJTOWJRUXDZ-ZRGWGRIASA-N 2 2 343.471 3.167 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCCOC2=O)cc1 ZINC000294925301 308272143 /nfs/dbraw/zinc/27/21/43/308272143.db2.gz XDWBJTOWJRUXDZ-ZRGWGRIASA-N 2 2 343.471 3.167 20 0 EGADLP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)cn1 ZINC000294935507 308273442 /nfs/dbraw/zinc/27/34/42/308273442.db2.gz DKTRCSVMXZEOFW-CYBMUJFWSA-N 2 2 337.439 3.423 20 0 EGADLP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)cn1 ZINC000294935507 308273444 /nfs/dbraw/zinc/27/34/44/308273444.db2.gz DKTRCSVMXZEOFW-CYBMUJFWSA-N 2 2 337.439 3.423 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295108114 308292156 /nfs/dbraw/zinc/29/21/56/308292156.db2.gz LHICVOMVXPFGFD-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295108114 308292158 /nfs/dbraw/zinc/29/21/58/308292158.db2.gz LHICVOMVXPFGFD-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP CC[C@@](C[NH2+]CCCc1ccc(C)[nH+]c1)(C(=O)OC)c1ccccc1 ZINC000414581284 309090587 /nfs/dbraw/zinc/09/05/87/309090587.db2.gz FMHUUZHKJRXOAY-NRFANRHFSA-N 2 2 340.467 3.433 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000296070570 308390440 /nfs/dbraw/zinc/39/04/40/308390440.db2.gz PVWUFSQXZJATBL-YOEHRIQHSA-N 3 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@@H](C)C1 ZINC000296070570 308390441 /nfs/dbraw/zinc/39/04/41/308390441.db2.gz PVWUFSQXZJATBL-YOEHRIQHSA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000296070570 308390444 /nfs/dbraw/zinc/39/04/44/308390444.db2.gz PVWUFSQXZJATBL-YOEHRIQHSA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000296070570 308390445 /nfs/dbraw/zinc/39/04/45/308390445.db2.gz PVWUFSQXZJATBL-YOEHRIQHSA-N 2 2 332.879 3.346 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414660191 309094151 /nfs/dbraw/zinc/09/41/51/309094151.db2.gz UMGVIKJWCAKNTQ-PWSUYJOCSA-N 2 2 342.283 3.092 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414660191 309094152 /nfs/dbraw/zinc/09/41/52/309094152.db2.gz UMGVIKJWCAKNTQ-PWSUYJOCSA-N 2 2 342.283 3.092 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@H+](C)[C@H](C)C[NH3+])cc2)c1 ZINC000414665782 309094610 /nfs/dbraw/zinc/09/46/10/309094610.db2.gz VKDIDBPHCBVBAJ-CQSZACIVSA-N 2 2 330.428 3.275 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc2)c1 ZINC000414665782 309094611 /nfs/dbraw/zinc/09/46/11/309094611.db2.gz VKDIDBPHCBVBAJ-CQSZACIVSA-N 2 2 330.428 3.275 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000296893737 308478213 /nfs/dbraw/zinc/47/82/13/308478213.db2.gz OOPSQFWWCPJZDR-MRXNPFEDSA-N 2 2 342.487 3.280 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766608 309099515 /nfs/dbraw/zinc/09/95/15/309099515.db2.gz HZOMHSFIXNZUHT-GXTWGEPZSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766608 309099516 /nfs/dbraw/zinc/09/95/16/309099516.db2.gz HZOMHSFIXNZUHT-GXTWGEPZSA-N 2 2 346.393 3.196 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000414790017 309101519 /nfs/dbraw/zinc/10/15/19/309101519.db2.gz ZGEFWAAZDLGNDR-ZDUSSCGKSA-N 2 2 349.525 3.059 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC12CCOCC2 ZINC000414790017 309101520 /nfs/dbraw/zinc/10/15/20/309101520.db2.gz ZGEFWAAZDLGNDR-ZDUSSCGKSA-N 2 2 349.525 3.059 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000414796430 309101897 /nfs/dbraw/zinc/10/18/97/309101897.db2.gz ALSVPSBNAOFTKW-GFCCVEGCSA-N 2 2 337.183 3.295 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000359999361 308894295 /nfs/dbraw/zinc/89/42/95/308894295.db2.gz OKXYGRNUGUPFBL-XHSDSOJGSA-N 2 2 346.437 3.341 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)ccc1OCc1ccc(F)cc1 ZINC000414860754 309105972 /nfs/dbraw/zinc/10/59/72/309105972.db2.gz DIELTDVVASMSBK-GOSISDBHSA-N 2 2 344.430 3.255 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414859502 309106048 /nfs/dbraw/zinc/10/60/48/309106048.db2.gz AZASVTJPGNJAID-CQSZACIVSA-N 2 2 326.868 3.369 20 0 EGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000414892808 309107793 /nfs/dbraw/zinc/10/77/93/309107793.db2.gz YQZXXTOPQDHZKW-GOSISDBHSA-N 2 2 332.451 3.299 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1O ZINC000414957005 309111556 /nfs/dbraw/zinc/11/15/56/309111556.db2.gz PCWOTRXKXYJOGD-HNAYVOBHSA-N 2 2 340.467 3.199 20 0 EGADLP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009517 309114153 /nfs/dbraw/zinc/11/41/53/309114153.db2.gz UELZDALNERNUBL-WMZOPIPTSA-N 3 2 335.923 3.412 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058652 309117346 /nfs/dbraw/zinc/11/73/46/309117346.db2.gz VWWUEPDCHFOMCO-UKRRQHHQSA-N 2 2 338.879 3.321 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058652 309117347 /nfs/dbraw/zinc/11/73/47/309117347.db2.gz VWWUEPDCHFOMCO-UKRRQHHQSA-N 2 2 338.879 3.321 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058649 309117350 /nfs/dbraw/zinc/11/73/50/309117350.db2.gz VWWUEPDCHFOMCO-HIFRSBDPSA-N 2 2 338.879 3.321 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1OC ZINC000415058649 309117351 /nfs/dbraw/zinc/11/73/51/309117351.db2.gz VWWUEPDCHFOMCO-HIFRSBDPSA-N 2 2 338.879 3.321 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2CC)C[C@H]1C ZINC000415063988 309117637 /nfs/dbraw/zinc/11/76/37/309117637.db2.gz JNGTYGVBMBYFLL-XZKMEQPCSA-N 2 2 332.488 3.206 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139957 309123350 /nfs/dbraw/zinc/12/33/50/309123350.db2.gz YDTMHTCVEJPJGG-UHFFFAOYSA-N 3 2 349.931 3.485 20 0 EGADLP C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@H]1C[NH3+] ZINC000415186235 309125297 /nfs/dbraw/zinc/12/52/97/309125297.db2.gz NASWPRWXHDDOAC-KDOFPFPSSA-N 2 2 340.427 3.465 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CCC([NH3+])CC2)c1 ZINC000415289703 309129806 /nfs/dbraw/zinc/12/98/06/309129806.db2.gz ANKQAHVHZKGUCL-UHFFFAOYSA-N 2 2 341.459 3.305 20 0 EGADLP CO[C@@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CC(C)C ZINC000418090016 309235053 /nfs/dbraw/zinc/23/50/53/309235053.db2.gz CAZZBORRWSGYRW-CQSZACIVSA-N 2 2 325.522 3.060 20 0 EGADLP CO[C@@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CC(C)C ZINC000418090016 309235054 /nfs/dbraw/zinc/23/50/54/309235054.db2.gz CAZZBORRWSGYRW-CQSZACIVSA-N 2 2 325.522 3.060 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)n1C ZINC000419691008 309271085 /nfs/dbraw/zinc/27/10/85/309271085.db2.gz LROMNMHMHCAMRQ-KRWDZBQOSA-N 2 2 328.435 3.351 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420294632 309280059 /nfs/dbraw/zinc/28/00/59/309280059.db2.gz TXKRSZPYOUHHNM-LLVKDONJSA-N 2 2 334.876 3.495 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000420294632 309280060 /nfs/dbraw/zinc/28/00/60/309280060.db2.gz TXKRSZPYOUHHNM-LLVKDONJSA-N 2 2 334.876 3.495 20 0 EGADLP Cc1sc2[nH]c(C[N@H+](CCC[NH3+])CC3CCCC3)nc(=O)c2c1C ZINC000420314865 309281490 /nfs/dbraw/zinc/28/14/90/309281490.db2.gz LOWNOCLNAFGBCW-UHFFFAOYSA-N 2 2 348.516 3.355 20 0 EGADLP Cc1sc2[nH]c(C[N@@H+](CCC[NH3+])CC3CCCC3)nc(=O)c2c1C ZINC000420314865 309281491 /nfs/dbraw/zinc/28/14/91/309281491.db2.gz LOWNOCLNAFGBCW-UHFFFAOYSA-N 2 2 348.516 3.355 20 0 EGADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C(C)C)cs2)c1 ZINC000420324485 309282295 /nfs/dbraw/zinc/28/22/95/309282295.db2.gz VLYHNZJSYAERAC-GOSISDBHSA-N 2 2 347.484 3.060 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000420337163 309283020 /nfs/dbraw/zinc/28/30/20/309283020.db2.gz JOBANOGQKPYSIB-GHTZIAJQSA-N 2 2 349.478 3.366 20 0 EGADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000420337163 309283021 /nfs/dbraw/zinc/28/30/21/309283021.db2.gz JOBANOGQKPYSIB-GHTZIAJQSA-N 2 2 349.478 3.366 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(Cl)c1 ZINC000420375166 309284987 /nfs/dbraw/zinc/28/49/87/309284987.db2.gz STESJGQNATVALC-ATVPRXPUSA-N 2 2 337.895 3.260 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392076 309285895 /nfs/dbraw/zinc/28/58/95/309285895.db2.gz IXYSDMHBSVSNEG-PBHICJAKSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420392076 309285896 /nfs/dbraw/zinc/28/58/96/309285896.db2.gz IXYSDMHBSVSNEG-PBHICJAKSA-N 2 2 335.879 3.051 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420389251 309285949 /nfs/dbraw/zinc/28/59/49/309285949.db2.gz HJOJHQJNFIWJPH-YOEHRIQHSA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2ccc(F)cc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420389251 309285950 /nfs/dbraw/zinc/28/59/50/309285950.db2.gz HJOJHQJNFIWJPH-YOEHRIQHSA-N 2 2 330.451 3.159 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420422788 309287272 /nfs/dbraw/zinc/28/72/72/309287272.db2.gz ZRJRCNQSWHAECU-WBVHZDCISA-N 2 2 329.513 3.345 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000420422788 309287273 /nfs/dbraw/zinc/28/72/73/309287273.db2.gz ZRJRCNQSWHAECU-WBVHZDCISA-N 2 2 329.513 3.345 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000420778948 309294328 /nfs/dbraw/zinc/29/43/28/309294328.db2.gz KARZPQPEUPIOTC-HNNXBMFYSA-N 2 2 332.492 3.010 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000420778948 309294329 /nfs/dbraw/zinc/29/43/29/309294329.db2.gz KARZPQPEUPIOTC-HNNXBMFYSA-N 2 2 332.492 3.010 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420798868 309295301 /nfs/dbraw/zinc/29/53/01/309295301.db2.gz XNBIQJNQIVHPDW-SFHVURJKSA-N 2 2 332.492 3.152 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420798868 309295302 /nfs/dbraw/zinc/29/53/02/309295302.db2.gz XNBIQJNQIVHPDW-SFHVURJKSA-N 2 2 332.492 3.152 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1c(C)noc1C ZINC000420929309 309302007 /nfs/dbraw/zinc/30/20/07/309302007.db2.gz DKSGFDDWQHTWFX-LJQANCHMSA-N 2 2 343.471 3.365 20 0 EGADLP C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358986 309320202 /nfs/dbraw/zinc/32/02/02/309320202.db2.gz DUNLGSJEIBEZKG-GJZGRUSLSA-N 2 2 329.444 3.277 20 0 EGADLP C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358986 309320203 /nfs/dbraw/zinc/32/02/03/309320203.db2.gz DUNLGSJEIBEZKG-GJZGRUSLSA-N 2 2 329.444 3.277 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000421843587 309343053 /nfs/dbraw/zinc/34/30/53/309343053.db2.gz MZKSXZATORMIAJ-UONOGXRCSA-N 2 2 328.859 3.111 20 0 EGADLP COC1([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000421890592 309345294 /nfs/dbraw/zinc/34/52/94/309345294.db2.gz YANOMBKTUKNPJP-JKSUJKDBSA-N 2 2 329.444 3.107 20 0 EGADLP CC[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)[N@H+](C)Cc1ccccc1 ZINC000421903735 309345795 /nfs/dbraw/zinc/34/57/95/309345795.db2.gz CCTJQYJOQXXORL-IBGZPJMESA-N 2 2 325.456 3.225 20 0 EGADLP CC[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000421903735 309345796 /nfs/dbraw/zinc/34/57/96/309345796.db2.gz CCTJQYJOQXXORL-IBGZPJMESA-N 2 2 325.456 3.225 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422711205 309364225 /nfs/dbraw/zinc/36/42/25/309364225.db2.gz FPRLHIVTRZGYIK-CABCVRRESA-N 2 2 326.868 3.368 20 0 EGADLP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000422714591 309364325 /nfs/dbraw/zinc/36/43/25/309364325.db2.gz LEMDTRSFBKFLRH-JTDSTZFVSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000422714591 309364326 /nfs/dbraw/zinc/36/43/26/309364326.db2.gz LEMDTRSFBKFLRH-JTDSTZFVSA-N 2 2 343.540 3.043 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)[C@@H]1CCC[NH2+]1 ZINC000422827482 309370598 /nfs/dbraw/zinc/37/05/98/309370598.db2.gz NAPIHGHILBDIKO-LPHOPBHVSA-N 2 2 334.467 3.315 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422833231 309371009 /nfs/dbraw/zinc/37/10/09/309371009.db2.gz WAUWAIWDMYDIHB-KGLIPLIRSA-N 2 2 346.393 3.257 20 0 EGADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422838598 309371139 /nfs/dbraw/zinc/37/11/39/309371139.db2.gz XRNWFWGUGMLIIW-SLFFLAALSA-N 2 2 338.499 3.136 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422864883 309372489 /nfs/dbraw/zinc/37/24/89/309372489.db2.gz WRRBVCZEFUHVAJ-SJLPKXTDSA-N 2 2 326.440 3.336 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000422879227 309373643 /nfs/dbraw/zinc/37/36/43/309373643.db2.gz LWYHSBJBZYAYGS-SMDDNHRTSA-N 2 2 327.266 3.078 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cn2)n1 ZINC000422898518 309375047 /nfs/dbraw/zinc/37/50/47/309375047.db2.gz MIMPVGADSSQXEX-RTBURBONSA-N 2 2 333.439 3.119 20 0 EGADLP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422908872 309375631 /nfs/dbraw/zinc/37/56/31/309375631.db2.gz MZPXLBKDEOPNND-IMJJTQAJSA-N 2 2 337.895 3.048 20 0 EGADLP CCCCNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422933769 309376816 /nfs/dbraw/zinc/37/68/16/309376816.db2.gz DSNKFLULZJKRLH-UXHICEINSA-N 2 2 337.467 3.451 20 0 EGADLP Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422996659 309379954 /nfs/dbraw/zinc/37/99/54/309379954.db2.gz MPWFAINIRIDFIX-CGBFIWBNSA-N 2 2 332.488 3.042 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039052 309382414 /nfs/dbraw/zinc/38/24/14/309382414.db2.gz ZYWLOEODQOGACV-SJORKVTESA-N 2 2 342.314 3.427 20 0 EGADLP [NH3+][C@H]1CCC[C@@H]1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039051 309382418 /nfs/dbraw/zinc/38/24/18/309382418.db2.gz ZYWLOEODQOGACV-IRXDYDNUSA-N 2 2 342.314 3.427 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423048097 309382955 /nfs/dbraw/zinc/38/29/55/309382955.db2.gz HQOQGUZACVIKIN-DYVFJYSZSA-N 2 2 342.874 3.275 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423061399 309383764 /nfs/dbraw/zinc/38/37/64/309383764.db2.gz KQBMTERKCNPTEQ-XJKSGUPXSA-N 2 2 342.874 3.275 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c(-c2ccccc2)s1 ZINC000423097608 309385766 /nfs/dbraw/zinc/38/57/66/309385766.db2.gz JMSPKOMORGEZQA-DZGCQCFKSA-N 2 2 331.485 3.044 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423099124 309385938 /nfs/dbraw/zinc/38/59/38/309385938.db2.gz DWZCOUDARAIBCJ-OXJNMPFZSA-N 2 2 341.474 3.474 20 0 EGADLP Brc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccco2)cc1 ZINC000423192567 309389997 /nfs/dbraw/zinc/38/99/97/309389997.db2.gz VZKZCMFBLRDQAJ-MRXNPFEDSA-N 2 2 335.245 3.473 20 0 EGADLP [NH3+]CC[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000423194696 309390094 /nfs/dbraw/zinc/39/00/94/309390094.db2.gz YGRLWSYSFTZLJB-GFCCVEGCSA-N 2 2 337.183 3.467 20 0 EGADLP COc1ccc(C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423197576 309390144 /nfs/dbraw/zinc/39/01/44/309390144.db2.gz ZXGARCLWDONDTP-RXVVDRJESA-N 2 2 340.467 3.329 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NCC1([NH3+])CCCCCC1)c1cccc(F)c1 ZINC000423200984 309390210 /nfs/dbraw/zinc/39/02/10/309390210.db2.gz NVWVNITWTHEKJL-KRWDZBQOSA-N 2 2 330.451 3.290 20 0 EGADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC[NH2+]C1 ZINC000423203888 309390391 /nfs/dbraw/zinc/39/03/91/309390391.db2.gz AKLNBIPDEXRGBB-ONGXEEELSA-N 2 2 349.784 3.027 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423231150 309391706 /nfs/dbraw/zinc/39/17/06/309391706.db2.gz FUQYATIPVZWVGM-HZMBPMFUSA-N 2 2 329.669 3.431 20 0 EGADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423236896 309391850 /nfs/dbraw/zinc/39/18/50/309391850.db2.gz PBQJZPKCYRJORN-ICSRJNTNSA-N 2 2 328.431 3.460 20 0 EGADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423240352 309392032 /nfs/dbraw/zinc/39/20/32/309392032.db2.gz SWWGGXNEJAQJBP-WFASDCNBSA-N 2 2 327.241 3.381 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000423253212 309392523 /nfs/dbraw/zinc/39/25/23/309392523.db2.gz YQBJUKJBJAXUMC-RTBURBONSA-N 2 2 335.455 3.307 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268546 309393075 /nfs/dbraw/zinc/39/30/75/309393075.db2.gz UUBIGEZXTBPFDF-DZFGPLHGSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268546 309393076 /nfs/dbraw/zinc/39/30/76/309393076.db2.gz UUBIGEZXTBPFDF-DZFGPLHGSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423278101 309393805 /nfs/dbraw/zinc/39/38/05/309393805.db2.gz PJGHUAMRCAEINC-INIZCTEOSA-N 2 2 327.476 3.230 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423300716 309394406 /nfs/dbraw/zinc/39/44/06/309394406.db2.gz FASKRKWQCYYHEC-QGZVFWFLSA-N 2 2 342.487 3.149 20 0 EGADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423319187 309394940 /nfs/dbraw/zinc/39/49/40/309394940.db2.gz DBSSJDWCVHKTKI-GOSISDBHSA-N 2 2 347.409 3.445 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000423332346 309395453 /nfs/dbraw/zinc/39/54/53/309395453.db2.gz NEZFUQGGRKUYJU-AGRHKRQWSA-N 2 2 329.419 3.026 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H](C)[NH3+] ZINC000423336448 309395728 /nfs/dbraw/zinc/39/57/28/309395728.db2.gz GXTGKQJUXWVVAY-KDOFPFPSSA-N 2 2 340.471 3.444 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000423336787 309395896 /nfs/dbraw/zinc/39/58/96/309395896.db2.gz QTQHKUJRALWQIY-DYVFJYSZSA-N 2 2 344.484 3.156 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000423336787 309395897 /nfs/dbraw/zinc/39/58/97/309395897.db2.gz QTQHKUJRALWQIY-DYVFJYSZSA-N 2 2 344.484 3.156 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C12CCC2 ZINC000423336631 309396065 /nfs/dbraw/zinc/39/60/65/309396065.db2.gz QNQJXNUEFLLXNR-YSTOQKLRSA-N 2 2 344.499 3.078 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340552 309396103 /nfs/dbraw/zinc/39/61/03/309396103.db2.gz XJTBBXAPYHNMQN-VAMGGRTRSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423340552 309396104 /nfs/dbraw/zinc/39/61/04/309396104.db2.gz XJTBBXAPYHNMQN-VAMGGRTRSA-N 3 2 327.516 3.148 20 0 EGADLP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccccc1I ZINC000423365684 309397100 /nfs/dbraw/zinc/39/71/00/309397100.db2.gz PJJAPRKYWGMHJP-VXGBXAGGSA-N 2 2 344.240 3.084 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000423372754 309397589 /nfs/dbraw/zinc/39/75/89/309397589.db2.gz IRXMPFATDHTUML-SLEUVZQESA-N 2 2 333.867 3.020 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCCC2=O)c1 ZINC000423395999 309398666 /nfs/dbraw/zinc/39/86/66/309398666.db2.gz SVXJSYRBDAADGS-YJBOKZPZSA-N 2 2 329.488 3.242 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423411916 309399018 /nfs/dbraw/zinc/39/90/18/309399018.db2.gz GNZUXVGDTVAMKA-JKSUJKDBSA-N 2 2 346.393 3.395 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000423414415 309399278 /nfs/dbraw/zinc/39/92/78/309399278.db2.gz MUSSBBCFOHYIMX-ABAIWWIYSA-N 2 2 345.256 3.007 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(C)c(Br)s2)CCC[NH2+]1 ZINC000423420429 309399691 /nfs/dbraw/zinc/39/96/91/309399691.db2.gz WZDRNCLQZNGIPU-RISCZKNCSA-N 2 2 347.322 3.238 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)c1OC ZINC000423527292 309404972 /nfs/dbraw/zinc/40/49/72/309404972.db2.gz MFPWINRAZXGFFH-ZYSHUDEJSA-N 2 2 340.467 3.418 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000423818281 309414457 /nfs/dbraw/zinc/41/44/57/309414457.db2.gz ZRADEEDGJFSTBD-INIZCTEOSA-N 2 2 334.423 3.479 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H](C)[NH3+] ZINC000423837090 309415731 /nfs/dbraw/zinc/41/57/31/309415731.db2.gz GPDPLIOWUWXBIL-IFXJQAMLSA-N 2 2 338.455 3.160 20 0 EGADLP C[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000424330444 309439215 /nfs/dbraw/zinc/43/92/15/309439215.db2.gz HZUDBMJZQPCTHE-COLVAYQJSA-N 2 2 344.286 3.030 20 0 EGADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000430603654 309612812 /nfs/dbraw/zinc/61/28/12/309612812.db2.gz ZBQSPFZNKHQRIL-GFCCVEGCSA-N 2 2 341.858 3.128 20 0 EGADLP C[NH+](C)[C@H](CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000431763388 309642179 /nfs/dbraw/zinc/64/21/79/309642179.db2.gz AXAUBBPVWQCESC-DLBZAZTESA-N 2 2 326.444 3.156 20 0 EGADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433998459 309702338 /nfs/dbraw/zinc/70/23/38/309702338.db2.gz GHCULOKAQHLULW-YVWKXTFCSA-N 2 2 327.472 3.499 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000435372139 309729751 /nfs/dbraw/zinc/72/97/51/309729751.db2.gz ZZBDTJWJJAVSMJ-UHFFFAOYSA-N 2 2 346.906 3.385 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000449098277 310036922 /nfs/dbraw/zinc/03/69/22/310036922.db2.gz ILPOLVQVJULYQT-FQEVSTJZSA-N 2 2 344.499 3.210 20 0 EGADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc2ccccc21 ZINC000449128009 310038937 /nfs/dbraw/zinc/03/89/37/310038937.db2.gz XJDIDZRTSOOEKK-IBGZPJMESA-N 2 2 342.483 3.031 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229168 310046094 /nfs/dbraw/zinc/04/60/94/310046094.db2.gz YTRPYAJQGZDYNI-MJGOQNOKSA-N 2 2 341.524 3.454 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229168 310046095 /nfs/dbraw/zinc/04/60/95/310046095.db2.gz YTRPYAJQGZDYNI-MJGOQNOKSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229168 310046096 /nfs/dbraw/zinc/04/60/96/310046096.db2.gz YTRPYAJQGZDYNI-MJGOQNOKSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)[C@H]2C1 ZINC000449229168 310046097 /nfs/dbraw/zinc/04/60/97/310046097.db2.gz YTRPYAJQGZDYNI-MJGOQNOKSA-N 2 2 341.524 3.454 20 0 EGADLP CC[C@H](C)[C@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OC ZINC000449400730 310059126 /nfs/dbraw/zinc/05/91/26/310059126.db2.gz CSWCTNZVUPJPHM-ZFWWWQNUSA-N 2 2 325.522 3.060 20 0 EGADLP CC[C@H](C)[C@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)OC ZINC000449400730 310059127 /nfs/dbraw/zinc/05/91/27/310059127.db2.gz CSWCTNZVUPJPHM-ZFWWWQNUSA-N 2 2 325.522 3.060 20 0 EGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449468492 310064514 /nfs/dbraw/zinc/06/45/14/310064514.db2.gz PLOFYLDKXFAGBD-YJBOKZPZSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449468492 310064515 /nfs/dbraw/zinc/06/45/15/310064515.db2.gz PLOFYLDKXFAGBD-YJBOKZPZSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n2c1 ZINC000449645677 310077149 /nfs/dbraw/zinc/07/71/49/310077149.db2.gz KZPQALXXFWIMNL-HOTGVXAUSA-N 2 2 348.450 3.099 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n2c1 ZINC000449645679 310077272 /nfs/dbraw/zinc/07/72/72/310077272.db2.gz KZPQALXXFWIMNL-JKSUJKDBSA-N 2 2 348.450 3.099 20 0 EGADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450442040 310122957 /nfs/dbraw/zinc/12/29/57/310122957.db2.gz SDCFTUJKWPKBKR-CQSZACIVSA-N 2 2 343.298 3.190 20 0 EGADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450442040 310122958 /nfs/dbraw/zinc/12/29/58/310122958.db2.gz SDCFTUJKWPKBKR-CQSZACIVSA-N 2 2 343.298 3.190 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466596 310124371 /nfs/dbraw/zinc/12/43/71/310124371.db2.gz JKUMRQWSNJDAHX-DZGCQCFKSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466596 310124372 /nfs/dbraw/zinc/12/43/72/310124372.db2.gz JKUMRQWSNJDAHX-DZGCQCFKSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466596 310124373 /nfs/dbraw/zinc/12/43/73/310124373.db2.gz JKUMRQWSNJDAHX-DZGCQCFKSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@@H]1C ZINC000450466596 310124374 /nfs/dbraw/zinc/12/43/74/310124374.db2.gz JKUMRQWSNJDAHX-DZGCQCFKSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466599 310124394 /nfs/dbraw/zinc/12/43/94/310124394.db2.gz JKUMRQWSNJDAHX-UKRRQHHQSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466599 310124395 /nfs/dbraw/zinc/12/43/95/310124395.db2.gz JKUMRQWSNJDAHX-UKRRQHHQSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466599 310124396 /nfs/dbraw/zinc/12/43/96/310124396.db2.gz JKUMRQWSNJDAHX-UKRRQHHQSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2Cl)C[C@H]1C ZINC000450466599 310124397 /nfs/dbraw/zinc/12/43/97/310124397.db2.gz JKUMRQWSNJDAHX-UKRRQHHQSA-N 2 2 338.879 3.431 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000450470950 310124656 /nfs/dbraw/zinc/12/46/56/310124656.db2.gz JPNURZKFCDQEAX-SFHVURJKSA-N 2 2 329.419 3.458 20 0 EGADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC(=O)c1ccc(F)cc1 ZINC000450470950 310124657 /nfs/dbraw/zinc/12/46/57/310124657.db2.gz JPNURZKFCDQEAX-SFHVURJKSA-N 2 2 329.419 3.458 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccn(CCc3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000450587402 310131530 /nfs/dbraw/zinc/13/15/30/310131530.db2.gz DIJSJQRSLHIOII-GHTZIAJQSA-N 2 2 349.482 3.405 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000450587402 310131531 /nfs/dbraw/zinc/13/15/31/310131531.db2.gz DIJSJQRSLHIOII-GHTZIAJQSA-N 2 2 349.482 3.405 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577863 310187560 /nfs/dbraw/zinc/18/75/60/310187560.db2.gz FPSRMACRRCAZFX-QHAWAJNXSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577863 310187561 /nfs/dbraw/zinc/18/75/61/310187561.db2.gz FPSRMACRRCAZFX-QHAWAJNXSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577863 310187562 /nfs/dbraw/zinc/18/75/62/310187562.db2.gz FPSRMACRRCAZFX-QHAWAJNXSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000451577863 310187563 /nfs/dbraw/zinc/18/75/63/310187563.db2.gz FPSRMACRRCAZFX-QHAWAJNXSA-N 2 2 328.500 3.400 20 0 EGADLP CCc1noc(C)c1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124018 310213608 /nfs/dbraw/zinc/21/36/08/310213608.db2.gz WXWXYNJMZXSGHL-UHFFFAOYSA-N 2 2 333.398 3.394 20 0 EGADLP CCc1noc(C)c1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124018 310213609 /nfs/dbraw/zinc/21/36/09/310213609.db2.gz WXWXYNJMZXSGHL-UHFFFAOYSA-N 2 2 333.398 3.394 20 0 EGADLP COC[C@@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000453310901 310270346 /nfs/dbraw/zinc/27/03/46/310270346.db2.gz ZWKXWPSGAVVDOS-HXUWFJFHSA-N 2 2 346.515 3.072 20 0 EGADLP COC[C@@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000453310901 310270347 /nfs/dbraw/zinc/27/03/47/310270347.db2.gz ZWKXWPSGAVVDOS-HXUWFJFHSA-N 2 2 346.515 3.072 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454337676 310304395 /nfs/dbraw/zinc/30/43/95/310304395.db2.gz YFHJCJVOGFRTEP-IYBDPMFKSA-N 2 2 346.519 3.256 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454337676 310304396 /nfs/dbraw/zinc/30/43/96/310304396.db2.gz YFHJCJVOGFRTEP-IYBDPMFKSA-N 2 2 346.519 3.256 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454386178 310306816 /nfs/dbraw/zinc/30/68/16/310306816.db2.gz XFDHZQJWTOOYCR-GJZGRUSLSA-N 2 2 346.519 3.254 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000456705836 310419010 /nfs/dbraw/zinc/41/90/10/310419010.db2.gz IRINPNIIYVZFDG-OLZOCXBDSA-N 2 2 346.475 3.003 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000480254941 310891952 /nfs/dbraw/zinc/89/19/52/310891952.db2.gz BXZIIJDKHHAVHK-KFWWJZLASA-N 2 2 340.895 3.499 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000486953989 311003651 /nfs/dbraw/zinc/00/36/51/311003651.db2.gz HIBBUFFWLHDTAB-HUUCEWRRSA-N 2 2 340.895 3.328 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H]2CCSC2)CCOCC1)c1ccccc1 ZINC000487294816 311019197 /nfs/dbraw/zinc/01/91/97/311019197.db2.gz LARYHBVTDSVNBS-IAGOWNOFSA-N 2 2 334.529 3.229 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000492301227 311235708 /nfs/dbraw/zinc/23/57/08/311235708.db2.gz UDRRZKUJGKRJFW-KTKRTIGZSA-N 2 2 338.455 3.193 20 0 EGADLP O=C(/C=C/c1cc(F)c(F)c(F)c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492614309 311271459 /nfs/dbraw/zinc/27/14/59/311271459.db2.gz FQSJOKMRQWPXOU-OWOJBTEDSA-N 2 2 344.296 3.337 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810296 311294091 /nfs/dbraw/zinc/29/40/91/311294091.db2.gz HXLFLHZYZFCPFE-ZPUOCTKUSA-N 2 2 344.846 3.030 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000493192414 311340388 /nfs/dbraw/zinc/34/03/88/311340388.db2.gz QVJSMMANRVRNLW-ROJDOSBLSA-N 2 2 346.862 3.276 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000493192414 311340390 /nfs/dbraw/zinc/34/03/90/311340390.db2.gz QVJSMMANRVRNLW-ROJDOSBLSA-N 2 2 346.862 3.276 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)c1ccccc1Cl ZINC000493225859 311345665 /nfs/dbraw/zinc/34/56/65/311345665.db2.gz PQCDWAAMKIJZNE-SCOAYWHSSA-N 2 2 346.862 3.276 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)/C=C/c1[nH+]ccn1CC ZINC000493407247 311372125 /nfs/dbraw/zinc/37/21/25/311372125.db2.gz YNYJQARGWJIIBI-MDZDMXLPSA-N 2 2 332.492 3.031 20 0 EGADLP CCC(CC)(CNC(=O)/C=C/c1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000493435503 311376178 /nfs/dbraw/zinc/37/61/78/311376178.db2.gz TYHAUKSUIZRYRR-LPQFERQCSA-N 2 2 340.471 3.449 20 0 EGADLP CCc1ccc([C@@H](CO)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000507489206 312074589 /nfs/dbraw/zinc/07/45/89/312074589.db2.gz WOMCWQMOPHVQOD-QGZVFWFLSA-N 2 2 344.421 3.289 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000508718452 312100650 /nfs/dbraw/zinc/10/06/50/312100650.db2.gz NTSUXHICHXKHHJ-CEWLAPEOSA-N 3 2 331.548 3.463 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722195 312100810 /nfs/dbraw/zinc/10/08/10/312100810.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722195 312100812 /nfs/dbraw/zinc/10/08/12/312100812.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722195 312100816 /nfs/dbraw/zinc/10/08/16/312100816.db2.gz RLASPVPVOSFYOW-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3C[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000509328203 312113988 /nfs/dbraw/zinc/11/39/88/312113988.db2.gz QBWVEZAUTNMQLF-BGYRXZFFSA-N 2 2 327.516 3.321 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000509328203 312113990 /nfs/dbraw/zinc/11/39/90/312113990.db2.gz QBWVEZAUTNMQLF-BGYRXZFFSA-N 2 2 327.516 3.321 20 0 EGADLP C[C@@H](CC1CCCCC1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000511043160 312153563 /nfs/dbraw/zinc/15/35/63/312153563.db2.gz FWIUXXGJWJTXRM-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP C[C@@H](CC1CCCCC1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000511043160 312153566 /nfs/dbraw/zinc/15/35/66/312153566.db2.gz FWIUXXGJWJTXRM-KRWDZBQOSA-N 2 2 337.552 3.077 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000514733379 312242715 /nfs/dbraw/zinc/24/27/15/312242715.db2.gz JEKQTIAAOHIBTP-QINHECLXSA-N 2 2 325.456 3.137 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000515303514 312275517 /nfs/dbraw/zinc/27/55/17/312275517.db2.gz FUDAJLXWZYAAHX-OWOJBTEDSA-N 2 2 334.891 3.180 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)c[nH+]2)C[C@@H](C)O1 ZINC000515346326 312277604 /nfs/dbraw/zinc/27/76/04/312277604.db2.gz GVWBHRHQRRXZIR-TWKYDXJASA-N 2 2 338.455 3.252 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513191 312326641 /nfs/dbraw/zinc/32/66/41/312326641.db2.gz RDSKPNSXUQSBNP-SFHVURJKSA-N 3 2 346.544 3.405 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513191 312326644 /nfs/dbraw/zinc/32/66/44/312326644.db2.gz RDSKPNSXUQSBNP-SFHVURJKSA-N 3 2 346.544 3.405 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513191 312326647 /nfs/dbraw/zinc/32/66/47/312326647.db2.gz RDSKPNSXUQSBNP-SFHVURJKSA-N 3 2 346.544 3.405 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCn3cc[nH+]c3C)C2)s1 ZINC000516513191 312326648 /nfs/dbraw/zinc/32/66/48/312326648.db2.gz RDSKPNSXUQSBNP-SFHVURJKSA-N 3 2 346.544 3.405 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000516774247 312341074 /nfs/dbraw/zinc/34/10/74/312341074.db2.gz JVAHMFOGJZLXPD-ROUUACIJSA-N 2 2 332.451 3.043 20 0 EGADLP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000516774247 312341076 /nfs/dbraw/zinc/34/10/76/312341076.db2.gz JVAHMFOGJZLXPD-ROUUACIJSA-N 2 2 332.451 3.043 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000516981027 312356449 /nfs/dbraw/zinc/35/64/49/312356449.db2.gz HKELIMUXQAQWTK-LJQANCHMSA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000516981027 312356452 /nfs/dbraw/zinc/35/64/52/312356452.db2.gz HKELIMUXQAQWTK-LJQANCHMSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000517959903 312399647 /nfs/dbraw/zinc/39/96/47/312399647.db2.gz CCEYOYHUCQDNHV-SFHVURJKSA-N 2 2 325.456 3.234 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000087788064 454088743 /nfs/dbraw/zinc/08/87/43/454088743.db2.gz HSXVTGXTFJGWGM-ZDUSSCGKSA-N 2 2 341.293 3.278 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000087788064 454088746 /nfs/dbraw/zinc/08/87/46/454088746.db2.gz HSXVTGXTFJGWGM-ZDUSSCGKSA-N 2 2 341.293 3.278 20 0 EGADLP COc1ccc(Br)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000087788054 454089217 /nfs/dbraw/zinc/08/92/17/454089217.db2.gz IWGMWZIGVOJTNU-UHFFFAOYSA-N 2 2 338.249 3.224 20 0 EGADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000528679753 313145759 /nfs/dbraw/zinc/14/57/59/313145759.db2.gz IKGSVWCJJWAJBO-SFHVURJKSA-N 2 2 340.427 3.336 20 0 EGADLP C[NH+](C)CCOC1CC[NH+](Cc2c(F)ccc(F)c2Cl)CC1 ZINC000529526267 313343454 /nfs/dbraw/zinc/34/34/54/313343454.db2.gz AMNTVMKCTWLTPC-UHFFFAOYSA-N 2 2 332.822 3.161 20 0 EGADLP c1cc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000529638708 313376139 /nfs/dbraw/zinc/37/61/39/313376139.db2.gz AFVFDFDOFCIARP-FQEVSTJZSA-N 3 2 328.504 3.047 20 0 EGADLP c1cc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)CC2)cc[nH+]1 ZINC000529638708 313376143 /nfs/dbraw/zinc/37/61/43/313376143.db2.gz AFVFDFDOFCIARP-FQEVSTJZSA-N 3 2 328.504 3.047 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000529666305 313381418 /nfs/dbraw/zinc/38/14/18/313381418.db2.gz VXDJBONXQYGDFG-HNNXBMFYSA-N 2 2 338.442 3.255 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000532222055 313770134 /nfs/dbraw/zinc/77/01/34/313770134.db2.gz RKRYXRDMVKCTLO-UHFFFAOYSA-N 2 2 339.361 3.198 20 0 EGADLP C/C(=C/c1ccccc1)CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000533452746 313907894 /nfs/dbraw/zinc/90/78/94/313907894.db2.gz KUEVTRXNRZPVEM-MBGNVJMVSA-N 2 2 336.483 3.159 20 0 EGADLP CC(C)c1cc(NCC2([NH+]3CCCC3)CCOCC2)nc(C(C)C)[nH+]1 ZINC000534880673 314004753 /nfs/dbraw/zinc/00/47/53/314004753.db2.gz ANHJKALSWHNWAU-UHFFFAOYSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000535964594 314085850 /nfs/dbraw/zinc/08/58/50/314085850.db2.gz TXAGPQZEPJJKLS-ZWKOTPCHSA-N 2 2 343.471 3.005 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOC[C@H]1CCCO1 ZINC000535964594 314085852 /nfs/dbraw/zinc/08/58/52/314085852.db2.gz TXAGPQZEPJJKLS-ZWKOTPCHSA-N 2 2 343.471 3.005 20 0 EGADLP CN1Cc2ccccc2[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000537952788 314219565 /nfs/dbraw/zinc/21/95/65/314219565.db2.gz SVEDPSILGRCJQI-QHCPKHFHSA-N 2 2 349.522 3.470 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750936 314273143 /nfs/dbraw/zinc/27/31/43/314273143.db2.gz HATIZSILEAMCDS-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750936 314273147 /nfs/dbraw/zinc/27/31/47/314273147.db2.gz HATIZSILEAMCDS-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@H](C[N@H+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750936 314273150 /nfs/dbraw/zinc/27/31/50/314273150.db2.gz HATIZSILEAMCDS-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@H](C[N@@H+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750936 314273153 /nfs/dbraw/zinc/27/31/53/314273153.db2.gz HATIZSILEAMCDS-NVXWUHKLSA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750938 314273217 /nfs/dbraw/zinc/27/32/17/314273217.db2.gz HATIZSILEAMCDS-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750938 314273218 /nfs/dbraw/zinc/27/32/18/314273218.db2.gz HATIZSILEAMCDS-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@@H](C[N@H+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750938 314273219 /nfs/dbraw/zinc/27/32/19/314273219.db2.gz HATIZSILEAMCDS-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC3CC3)C1)O[C@H](C)C2 ZINC000538750938 314273220 /nfs/dbraw/zinc/27/32/20/314273220.db2.gz HATIZSILEAMCDS-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)CC1 ZINC000538762760 314273961 /nfs/dbraw/zinc/27/39/61/314273961.db2.gz HZLURDMQGAKOEF-UHFFFAOYSA-N 2 2 348.560 3.011 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000539691247 314329495 /nfs/dbraw/zinc/32/94/95/314329495.db2.gz JTUAKXDRJNPVHC-QNDFHXLGSA-N 2 2 340.511 3.444 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000539691247 314329496 /nfs/dbraw/zinc/32/94/96/314329496.db2.gz JTUAKXDRJNPVHC-QNDFHXLGSA-N 2 2 340.511 3.444 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccncc3)c2)CCO1 ZINC000548021231 314962305 /nfs/dbraw/zinc/96/23/05/314962305.db2.gz AKJOTOXAXAYTBF-TZIWHRDSSA-N 2 2 348.450 3.492 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@H](C)C[C@H]3C)c2cc1C ZINC000548487862 315016158 /nfs/dbraw/zinc/01/61/58/315016158.db2.gz POXPOAFFGYFNBR-OKDNKWQNSA-N 2 2 329.488 3.428 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193030 /nfs/dbraw/zinc/19/30/30/315193030.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193033 /nfs/dbraw/zinc/19/30/33/315193033.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193036 /nfs/dbraw/zinc/19/30/36/315193036.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552049507 315193038 /nfs/dbraw/zinc/19/30/38/315193038.db2.gz XPFMWORSWQUZFN-LNRXMEIDSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cc(F)ccc3F)c2cc1C ZINC000553457632 315264873 /nfs/dbraw/zinc/26/48/73/315264873.db2.gz QQQFZZKELFWFML-MRXNPFEDSA-N 2 2 345.393 3.082 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554049781 315295410 /nfs/dbraw/zinc/29/54/10/315295410.db2.gz BRWGABWBATXZTA-VXKWHMMOSA-N 2 2 341.543 3.363 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347631 315311438 /nfs/dbraw/zinc/31/14/38/315311438.db2.gz XBZTWVLPZAFUML-CJNGLKHVSA-N 2 2 328.859 3.488 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347631 315311440 /nfs/dbraw/zinc/31/14/40/315311440.db2.gz XBZTWVLPZAFUML-CJNGLKHVSA-N 2 2 328.859 3.488 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC000559349490 315629707 /nfs/dbraw/zinc/62/97/07/315629707.db2.gz UAHQUONAAJNYGX-QGZVFWFLSA-N 2 2 342.487 3.068 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1CNc1nc(C2CC2)[nH+]c2c1CCC2 ZINC000560996577 315734093 /nfs/dbraw/zinc/73/40/93/315734093.db2.gz BJCZYHXZTORXAU-UHFFFAOYSA-N 2 2 345.450 3.371 20 0 EGADLP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1F ZINC000562018676 315795254 /nfs/dbraw/zinc/79/52/54/315795254.db2.gz DFCAFPUPJNELRQ-BBRMVZONSA-N 2 2 328.859 3.488 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[nH+]1 ZINC000562345101 315821236 /nfs/dbraw/zinc/82/12/36/315821236.db2.gz ULKVHZYECNQLTG-AWEZNQCLSA-N 2 2 335.411 3.091 20 0 EGADLP FC1(F)CCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000563352377 316003586 /nfs/dbraw/zinc/00/35/86/316003586.db2.gz COBHMLILGPQKIG-NSHDSACASA-N 2 2 330.342 3.058 20 0 EGADLP C[C@@H]1[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000563786149 316068077 /nfs/dbraw/zinc/06/80/77/316068077.db2.gz GKVXQRQDUVAESG-CRAIPNDOSA-N 2 2 349.438 3.119 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563975900 316099561 /nfs/dbraw/zinc/09/95/61/316099561.db2.gz JZVSYHJCZDDGOO-ATNYBXOESA-N 3 2 339.886 3.331 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563975900 316099565 /nfs/dbraw/zinc/09/95/65/316099565.db2.gz JZVSYHJCZDDGOO-ATNYBXOESA-N 3 2 339.886 3.331 20 0 EGADLP Cc1cc(NC(=O)CCCC[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000564361607 316142966 /nfs/dbraw/zinc/14/29/66/316142966.db2.gz ZSVZODPUHIJQDD-MRXNPFEDSA-N 2 2 332.492 3.439 20 0 EGADLP c1cncc([C@H]2CCC[C@@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)C2)c1 ZINC000564722378 316195012 /nfs/dbraw/zinc/19/50/12/316195012.db2.gz BTISSXUHLGAVKT-FUHWJXTLSA-N 2 2 337.471 3.025 20 0 EGADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000564805124 316209112 /nfs/dbraw/zinc/20/91/12/316209112.db2.gz ZWBGGKAWOFYMKI-SFHVURJKSA-N 2 2 342.487 3.205 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000564872790 316223709 /nfs/dbraw/zinc/22/37/09/316223709.db2.gz HZILWXAWJFYHPB-GOSISDBHSA-N 2 2 342.483 3.172 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564872790 316223713 /nfs/dbraw/zinc/22/37/13/316223713.db2.gz HZILWXAWJFYHPB-GOSISDBHSA-N 2 2 342.483 3.172 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158417 316277119 /nfs/dbraw/zinc/27/71/19/316277119.db2.gz UFBOFWNPCKLNQE-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158417 316277123 /nfs/dbraw/zinc/27/71/23/316277123.db2.gz UFBOFWNPCKLNQE-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)n2)c1 ZINC000566088961 316414350 /nfs/dbraw/zinc/41/43/50/316414350.db2.gz VRPFUTYJDDYARQ-OWCLPIDISA-N 2 2 342.491 3.137 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)Cc1ccc(F)cc1)[NH+](C)C ZINC000569232150 316885423 /nfs/dbraw/zinc/88/54/23/316885423.db2.gz LOUBTYKXSQCOBU-LRQRDZAKSA-N 2 2 344.474 3.319 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)c2)cc1 ZINC000569919308 316982441 /nfs/dbraw/zinc/98/24/41/316982441.db2.gz YONAKGSPZMCQNR-UZLBHIALSA-N 2 2 337.467 3.335 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000571295032 317180523 /nfs/dbraw/zinc/18/05/23/317180523.db2.gz MXJFXFMDBLHNBC-UHFFFAOYSA-N 2 2 348.531 3.188 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000572310201 317318553 /nfs/dbraw/zinc/31/85/53/317318553.db2.gz YCJAOYKEYVNPEY-MBNYWOFBSA-N 2 2 346.393 3.412 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000572310201 317318555 /nfs/dbraw/zinc/31/85/55/317318555.db2.gz YCJAOYKEYVNPEY-MBNYWOFBSA-N 2 2 346.393 3.412 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000572420121 317336554 /nfs/dbraw/zinc/33/65/54/317336554.db2.gz LPVRCMQYBSHPNF-LKUPVBHCSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000572420121 317336557 /nfs/dbraw/zinc/33/65/57/317336557.db2.gz LPVRCMQYBSHPNF-LKUPVBHCSA-N 2 2 343.515 3.236 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000572497552 317348491 /nfs/dbraw/zinc/34/84/91/317348491.db2.gz VEDRXYQFEPRMHH-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000572497552 317348495 /nfs/dbraw/zinc/34/84/95/317348495.db2.gz VEDRXYQFEPRMHH-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000285764833 455912491 /nfs/dbraw/zinc/91/24/91/455912491.db2.gz SXRLAFRLBGWNFF-NWDGAFQWSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1cc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000285764833 455912494 /nfs/dbraw/zinc/91/24/94/455912494.db2.gz SXRLAFRLBGWNFF-NWDGAFQWSA-N 2 2 345.231 3.444 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1c1ccccc1 ZINC000579328305 325094935 /nfs/dbraw/zinc/09/49/35/325094935.db2.gz VVHIQOQUQYLHJP-JKSUJKDBSA-N 2 2 327.476 3.027 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1c1ccccc1 ZINC000579328305 325094940 /nfs/dbraw/zinc/09/49/40/325094940.db2.gz VVHIQOQUQYLHJP-JKSUJKDBSA-N 2 2 327.476 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)ccn12 ZINC000579975538 325186156 /nfs/dbraw/zinc/18/61/56/325186156.db2.gz VPJOVMXPAKNIKA-RKVPGOIHSA-N 2 2 340.471 3.120 20 0 EGADLP O=C(NCCCCn1cc[nH+]c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000580166224 325212231 /nfs/dbraw/zinc/21/22/31/325212231.db2.gz QFZAUPGKXIAIJS-UHFFFAOYSA-N 2 2 340.471 3.079 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@H]1CCC[NH2+]1 ZINC000580311622 325232868 /nfs/dbraw/zinc/23/28/68/325232868.db2.gz SSEPQYFCLZRXJM-IFXJQAMLSA-N 2 2 341.430 3.308 20 0 EGADLP C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580462360 325254050 /nfs/dbraw/zinc/25/40/50/325254050.db2.gz YDKANOWXNWVZLL-GFCCVEGCSA-N 2 2 335.249 3.055 20 0 EGADLP CCOc1cc(C[NH2+]Cc2c[nH+]c(C)n2C)ccc1OC(F)F ZINC000580581212 325270632 /nfs/dbraw/zinc/27/06/32/325270632.db2.gz HZMRXRUFPUVLKS-UHFFFAOYSA-N 2 2 325.359 3.018 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000581280094 325348266 /nfs/dbraw/zinc/34/82/66/325348266.db2.gz OIYNJMHQCDQJNG-SFHVURJKSA-N 2 2 349.438 3.293 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000352541429 457450375 /nfs/dbraw/zinc/45/03/75/457450375.db2.gz XRQPUSHXTSOPCE-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000395014023 457474726 /nfs/dbraw/zinc/47/47/26/457474726.db2.gz MZXDJWOKNRVDML-CHWSQXEVSA-N 2 2 327.241 3.305 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1 ZINC000423511204 458447592 /nfs/dbraw/zinc/44/75/92/458447592.db2.gz KATLOXQFLGNULM-CZUORRHYSA-N 2 2 330.303 3.184 20 0 EGADLP O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183177260 455245213 /nfs/dbraw/zinc/24/52/13/455245213.db2.gz LIWBLWMLGORPGF-GOSISDBHSA-N 2 2 333.863 3.372 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264615168 455249224 /nfs/dbraw/zinc/24/92/24/455249224.db2.gz LNPJRPNXOBQBJJ-LJQANCHMSA-N 2 2 340.471 3.130 20 0 EGADLP COc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000605322425 460564932 /nfs/dbraw/zinc/56/49/32/460564932.db2.gz LYVHFAUBDAFFMX-OAHLLOKOSA-N 2 2 338.879 3.082 20 0 EGADLP CCSCC[C@@H](C)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245454714 455305695 /nfs/dbraw/zinc/30/56/95/455305695.db2.gz SCDBWVFLUXBGFJ-IAGOWNOFSA-N 2 2 349.544 3.478 20 0 EGADLP CCSCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245454714 455305701 /nfs/dbraw/zinc/30/57/01/455305701.db2.gz SCDBWVFLUXBGFJ-IAGOWNOFSA-N 2 2 349.544 3.478 20 0 EGADLP [NH3+]C[C@H]1CC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631820659 460573692 /nfs/dbraw/zinc/57/36/92/460573692.db2.gz CHMIFDVHFUCFBN-LLVKDONJSA-N 2 2 325.334 3.141 20 0 EGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631820659 460573697 /nfs/dbraw/zinc/57/36/97/460573697.db2.gz CHMIFDVHFUCFBN-LLVKDONJSA-N 2 2 325.334 3.141 20 0 EGADLP COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616772658 460617125 /nfs/dbraw/zinc/61/71/25/460617125.db2.gz MOKOVYDEEXESSQ-GOSISDBHSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616772658 460617130 /nfs/dbraw/zinc/61/71/30/460617130.db2.gz MOKOVYDEEXESSQ-GOSISDBHSA-N 2 2 327.428 3.098 20 0 EGADLP CC(C)[NH+](CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)C ZINC000174358681 455382012 /nfs/dbraw/zinc/38/20/12/455382012.db2.gz MYCHYBZPAGDGEJ-MRXNPFEDSA-N 2 2 335.496 3.155 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccccc2)C1 ZINC000054148737 453913698 /nfs/dbraw/zinc/91/36/98/453913698.db2.gz BSLWMSRJVBQCCR-HXUWFJFHSA-N 2 2 346.434 3.001 20 0 EGADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](c2ccccc2)C1 ZINC000054148737 453913701 /nfs/dbraw/zinc/91/37/01/453913701.db2.gz BSLWMSRJVBQCCR-HXUWFJFHSA-N 2 2 346.434 3.001 20 0 EGADLP CC[N@@H+](Cc1nc(C(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108592 453964841 /nfs/dbraw/zinc/96/48/41/453964841.db2.gz PYTPRGMHANKEAD-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP CC[N@H+](Cc1nc(C(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108592 453964842 /nfs/dbraw/zinc/96/48/42/453964842.db2.gz PYTPRGMHANKEAD-UHFFFAOYSA-N 2 2 343.475 3.327 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110117 453965344 /nfs/dbraw/zinc/96/53/44/453965344.db2.gz MQWCDPIYVWEDOT-IBGZPJMESA-N 2 2 337.467 3.079 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110117 453965346 /nfs/dbraw/zinc/96/53/46/453965346.db2.gz MQWCDPIYVWEDOT-IBGZPJMESA-N 2 2 337.467 3.079 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110117 453965348 /nfs/dbraw/zinc/96/53/48/453965348.db2.gz MQWCDPIYVWEDOT-IBGZPJMESA-N 2 2 337.467 3.079 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110117 453965352 /nfs/dbraw/zinc/96/53/52/453965352.db2.gz MQWCDPIYVWEDOT-IBGZPJMESA-N 2 2 337.467 3.079 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068421108 454025039 /nfs/dbraw/zinc/02/50/39/454025039.db2.gz NBPILXCQZQTQIF-LJQANCHMSA-N 2 2 340.471 3.083 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000068421108 454025043 /nfs/dbraw/zinc/02/50/43/454025043.db2.gz NBPILXCQZQTQIF-LJQANCHMSA-N 2 2 340.471 3.083 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000076898300 454047391 /nfs/dbraw/zinc/04/73/91/454047391.db2.gz QMNBIQOTBCSMGE-HNNXBMFYSA-N 2 2 332.419 3.286 20 0 EGADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(Cl)o2)c2ccccc2)CC1 ZINC000069171172 454084692 /nfs/dbraw/zinc/08/46/92/454084692.db2.gz LYOBICVGYPHNDM-QGZVFWFLSA-N 2 2 333.863 3.011 20 0 EGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069858004 454153444 /nfs/dbraw/zinc/15/34/44/454153444.db2.gz KSWBVTFBYXTFKX-LJQANCHMSA-N 2 2 332.488 3.018 20 0 EGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069858004 454153446 /nfs/dbraw/zinc/15/34/46/454153446.db2.gz KSWBVTFBYXTFKX-LJQANCHMSA-N 2 2 332.488 3.018 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)C[C@@H]4CC[NH2+]C4)cc3)[nH+]c12 ZINC000130489262 454200125 /nfs/dbraw/zinc/20/01/25/454200125.db2.gz GKJWUVTTWXRBOV-HNNXBMFYSA-N 2 2 334.423 3.248 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000130784607 454218039 /nfs/dbraw/zinc/21/80/39/454218039.db2.gz RFABIWCJTJQNOX-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000130784607 454218045 /nfs/dbraw/zinc/21/80/45/454218045.db2.gz RFABIWCJTJQNOX-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000119936570 454238051 /nfs/dbraw/zinc/23/80/51/454238051.db2.gz OKESQXOVOZQCIA-FJIDUMEYSA-N 2 2 334.504 3.276 20 0 EGADLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccon2)CC1 ZINC000078451148 454254321 /nfs/dbraw/zinc/25/43/21/454254321.db2.gz VCJLXSOZTGMPIE-UHFFFAOYSA-N 2 2 328.803 3.198 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000090048309 454266884 /nfs/dbraw/zinc/26/68/84/454266884.db2.gz ZNJVGVGXDUOUPD-OXJNMPFZSA-N 2 2 344.499 3.089 20 0 EGADLP CC[NH+]1CCN([C@@H](C)CNc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090071157 454272714 /nfs/dbraw/zinc/27/27/14/454272714.db2.gz IYCFPKJMAFGUHN-INIZCTEOSA-N 2 2 333.524 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@H](C)O1 ZINC000060368487 454282589 /nfs/dbraw/zinc/28/25/89/454282589.db2.gz WJCKGZYZWQLPRJ-IYBDPMFKSA-N 2 2 349.519 3.293 20 0 EGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@H](C)O1 ZINC000060368487 454282592 /nfs/dbraw/zinc/28/25/92/454282592.db2.gz WJCKGZYZWQLPRJ-IYBDPMFKSA-N 2 2 349.519 3.293 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000131910572 454297506 /nfs/dbraw/zinc/29/75/06/454297506.db2.gz FVNSJRVHINSKBV-IBGZPJMESA-N 2 2 338.386 3.060 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000131910572 454297510 /nfs/dbraw/zinc/29/75/10/454297510.db2.gz FVNSJRVHINSKBV-IBGZPJMESA-N 2 2 338.386 3.060 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000090525096 454315741 /nfs/dbraw/zinc/31/57/41/454315741.db2.gz HDRNGVAEJLZWJB-VMDGZTHMSA-N 2 2 338.442 3.383 20 0 EGADLP c1ccc(CSCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000090548917 454318621 /nfs/dbraw/zinc/31/86/21/454318621.db2.gz RGDKVQNKMLMRCD-HXUWFJFHSA-N 2 2 348.556 3.354 20 0 EGADLP c1ccc(CSCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000090548917 454318626 /nfs/dbraw/zinc/31/86/26/454318626.db2.gz RGDKVQNKMLMRCD-HXUWFJFHSA-N 2 2 348.556 3.354 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000120643918 454329469 /nfs/dbraw/zinc/32/94/69/454329469.db2.gz AMQIWXUSSYPHOP-KXBFYZLASA-N 2 2 339.439 3.286 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cncc(F)c1 ZINC000090667143 454334700 /nfs/dbraw/zinc/33/47/00/454334700.db2.gz VNFIUUBUUHCFMJ-GJZGRUSLSA-N 2 2 328.435 3.492 20 0 EGADLP CCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000182118855 455439775 /nfs/dbraw/zinc/43/97/75/455439775.db2.gz UMAWPCBDNAMWBK-HZPDHXFCSA-N 2 2 349.544 3.002 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090801834 454341743 /nfs/dbraw/zinc/34/17/43/454341743.db2.gz YNDQUZPZIRSZKU-AEFFLSMTSA-N 2 2 333.439 3.197 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1COc2ccccc21 ZINC000090844914 454343895 /nfs/dbraw/zinc/34/38/95/454343895.db2.gz OAGUBBNDXOXORC-JXFKEZNVSA-N 2 2 337.467 3.200 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000090936786 454351522 /nfs/dbraw/zinc/35/15/22/454351522.db2.gz WPNMIGDDUBVSRW-RDTXWAMCSA-N 3 2 339.886 3.156 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000090936786 454351528 /nfs/dbraw/zinc/35/15/28/454351528.db2.gz WPNMIGDDUBVSRW-RDTXWAMCSA-N 3 2 339.886 3.156 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1 ZINC000132849861 454371060 /nfs/dbraw/zinc/37/10/60/454371060.db2.gz SPMJIRFUQCFCSX-UHFFFAOYSA-N 2 2 343.427 3.063 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000121865611 454487186 /nfs/dbraw/zinc/48/71/86/454487186.db2.gz WYFYYQSRXKVSFU-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000121865611 454487189 /nfs/dbraw/zinc/48/71/89/454487189.db2.gz WYFYYQSRXKVSFU-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1OC ZINC000092073853 454517345 /nfs/dbraw/zinc/51/73/45/454517345.db2.gz VVFFOFZDHADISB-CYBMUJFWSA-N 2 2 335.835 3.460 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1OC ZINC000092073853 454517351 /nfs/dbraw/zinc/51/73/51/454517351.db2.gz VVFFOFZDHADISB-CYBMUJFWSA-N 2 2 335.835 3.460 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000092165961 454531053 /nfs/dbraw/zinc/53/10/53/454531053.db2.gz CRAQZSPMVZTFFK-UHFFFAOYSA-N 2 2 330.451 3.318 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000092165961 454531060 /nfs/dbraw/zinc/53/10/60/454531060.db2.gz CRAQZSPMVZTFFK-UHFFFAOYSA-N 2 2 330.451 3.318 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253553 454542102 /nfs/dbraw/zinc/54/21/02/454542102.db2.gz WQOFERQPZVEXFC-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253553 454542106 /nfs/dbraw/zinc/54/21/06/454542106.db2.gz WQOFERQPZVEXFC-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253553 454542109 /nfs/dbraw/zinc/54/21/09/454542109.db2.gz WQOFERQPZVEXFC-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253553 454542111 /nfs/dbraw/zinc/54/21/11/454542111.db2.gz WQOFERQPZVEXFC-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000122831958 454572984 /nfs/dbraw/zinc/57/29/84/454572984.db2.gz LRMSVXMSXUYMIJ-YJBOKZPZSA-N 2 2 344.890 3.173 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000122831958 454572990 /nfs/dbraw/zinc/57/29/90/454572990.db2.gz LRMSVXMSXUYMIJ-YJBOKZPZSA-N 2 2 344.890 3.173 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122869923 454575993 /nfs/dbraw/zinc/57/59/93/454575993.db2.gz LYPNDHJJJIXAOF-QFBILLFUSA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122869923 454575997 /nfs/dbraw/zinc/57/59/97/454575997.db2.gz LYPNDHJJJIXAOF-QFBILLFUSA-N 2 2 329.444 3.244 20 0 EGADLP CN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448078 454583714 /nfs/dbraw/zinc/58/37/14/454583714.db2.gz PGCQLXLUOFSPFP-LJQANCHMSA-N 2 2 348.450 3.071 20 0 EGADLP CN(C(=O)c1ccc2[nH+]ccn2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448078 454583717 /nfs/dbraw/zinc/58/37/17/454583717.db2.gz PGCQLXLUOFSPFP-LJQANCHMSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000134823993 454594879 /nfs/dbraw/zinc/59/48/79/454594879.db2.gz QUZJGSCKNSUJFD-HNNXBMFYSA-N 2 2 346.434 3.462 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1)[N@H+]1CCc2ccccc2C1 ZINC000134823993 454594885 /nfs/dbraw/zinc/59/48/85/454594885.db2.gz QUZJGSCKNSUJFD-HNNXBMFYSA-N 2 2 346.434 3.462 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000134870698 454600263 /nfs/dbraw/zinc/60/02/63/454600263.db2.gz UIPJHBKQSHEGKZ-RHSMWYFYSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)s1 ZINC000134870698 454600267 /nfs/dbraw/zinc/60/02/67/454600267.db2.gz UIPJHBKQSHEGKZ-RHSMWYFYSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)s1 ZINC000134870698 454600269 /nfs/dbraw/zinc/60/02/69/454600269.db2.gz UIPJHBKQSHEGKZ-RHSMWYFYSA-N 2 2 348.512 3.292 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)s1 ZINC000134870698 454600273 /nfs/dbraw/zinc/60/02/73/454600273.db2.gz UIPJHBKQSHEGKZ-RHSMWYFYSA-N 2 2 348.512 3.292 20 0 EGADLP Fc1ccc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000134870612 454600576 /nfs/dbraw/zinc/60/05/76/454600576.db2.gz ALNDVSXXWGYFDJ-DYVFJYSZSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)oc2c1 ZINC000134870612 454600581 /nfs/dbraw/zinc/60/05/81/454600581.db2.gz ALNDVSXXWGYFDJ-DYVFJYSZSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)oc2c1 ZINC000134870612 454600583 /nfs/dbraw/zinc/60/05/83/454600583.db2.gz ALNDVSXXWGYFDJ-DYVFJYSZSA-N 2 2 329.419 3.416 20 0 EGADLP Fc1ccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)oc2c1 ZINC000134870612 454600587 /nfs/dbraw/zinc/60/05/87/454600587.db2.gz ALNDVSXXWGYFDJ-DYVFJYSZSA-N 2 2 329.419 3.416 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134932150 454611066 /nfs/dbraw/zinc/61/10/66/454611066.db2.gz NZFSWATWEJBAIS-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134932150 454611071 /nfs/dbraw/zinc/61/10/71/454611071.db2.gz NZFSWATWEJBAIS-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134932150 454611075 /nfs/dbraw/zinc/61/10/75/454611075.db2.gz NZFSWATWEJBAIS-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2ccccc2c1 ZINC000080933511 454650635 /nfs/dbraw/zinc/65/06/35/454650635.db2.gz PVYAIPOPVCFDBU-KRWDZBQOSA-N 2 2 334.423 3.381 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2ccccc2c1 ZINC000080933511 454650637 /nfs/dbraw/zinc/65/06/37/454650637.db2.gz PVYAIPOPVCFDBU-KRWDZBQOSA-N 2 2 334.423 3.381 20 0 EGADLP C[N@H+](Cc1ccc(Cl)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969010 454662043 /nfs/dbraw/zinc/66/20/43/454662043.db2.gz RJOCABADSAEHDC-UHFFFAOYSA-N 2 2 344.890 3.269 20 0 EGADLP C[N@@H+](Cc1ccc(Cl)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969010 454662049 /nfs/dbraw/zinc/66/20/49/454662049.db2.gz RJOCABADSAEHDC-UHFFFAOYSA-N 2 2 344.890 3.269 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc2ccccc21 ZINC000080985038 454666969 /nfs/dbraw/zinc/66/69/69/454666969.db2.gz USZNYDORKGVOPG-MRXNPFEDSA-N 2 2 334.423 3.381 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc2ccccc21 ZINC000080985038 454666976 /nfs/dbraw/zinc/66/69/76/454666976.db2.gz USZNYDORKGVOPG-MRXNPFEDSA-N 2 2 334.423 3.381 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000161591037 454705952 /nfs/dbraw/zinc/70/59/52/454705952.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000161591037 454705956 /nfs/dbraw/zinc/70/59/56/454705956.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000161591037 454705958 /nfs/dbraw/zinc/70/59/58/454705958.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161591037 454705961 /nfs/dbraw/zinc/70/59/61/454705961.db2.gz PCZRTEFDUFUASO-WLRLJWMZSA-N 3 2 327.516 3.113 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1Br ZINC000124364002 454723833 /nfs/dbraw/zinc/72/38/33/454723833.db2.gz LLXLZTWSUQDBCD-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1Br ZINC000124364002 454723836 /nfs/dbraw/zinc/72/38/36/454723836.db2.gz LLXLZTWSUQDBCD-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124386956 454727198 /nfs/dbraw/zinc/72/71/98/454727198.db2.gz SYSWUCXSZDBDNF-IEBWSBKVSA-N 2 2 342.487 3.251 20 0 EGADLP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124386956 454727201 /nfs/dbraw/zinc/72/72/01/454727201.db2.gz SYSWUCXSZDBDNF-IEBWSBKVSA-N 2 2 342.487 3.251 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124387419 454727390 /nfs/dbraw/zinc/72/73/90/454727390.db2.gz SYSWUCXSZDBDNF-PKOBYXMFSA-N 2 2 342.487 3.251 20 0 EGADLP CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000124387419 454727398 /nfs/dbraw/zinc/72/73/98/454727398.db2.gz SYSWUCXSZDBDNF-PKOBYXMFSA-N 2 2 342.487 3.251 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742196 454731389 /nfs/dbraw/zinc/73/13/89/454731389.db2.gz BOFOIKKRARFFLW-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742196 454731394 /nfs/dbraw/zinc/73/13/94/454731394.db2.gz BOFOIKKRARFFLW-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742196 454731396 /nfs/dbraw/zinc/73/13/96/454731396.db2.gz BOFOIKKRARFFLW-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093742196 454731401 /nfs/dbraw/zinc/73/14/01/454731401.db2.gz BOFOIKKRARFFLW-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741931 454732097 /nfs/dbraw/zinc/73/20/97/454732097.db2.gz UXQCZIAQZSPYHR-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741931 454732101 /nfs/dbraw/zinc/73/21/01/454732101.db2.gz UXQCZIAQZSPYHR-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741931 454732104 /nfs/dbraw/zinc/73/21/04/454732104.db2.gz UXQCZIAQZSPYHR-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093741931 454732108 /nfs/dbraw/zinc/73/21/08/454732108.db2.gz UXQCZIAQZSPYHR-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977523 454749091 /nfs/dbraw/zinc/74/90/91/454749091.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152977523 454749093 /nfs/dbraw/zinc/74/90/93/454749093.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152977523 454749098 /nfs/dbraw/zinc/74/90/98/454749098.db2.gz VKOYWZVIPGRYMP-QCFAMHMHSA-N 3 2 329.532 3.359 20 0 EGADLP Cn1cc([C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2cccc(F)c2)cn1 ZINC000635009518 460652129 /nfs/dbraw/zinc/65/21/29/460652129.db2.gz HQNFNTRGGKZWFY-QZTJIDSGSA-N 2 2 330.451 3.016 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162138108 454753426 /nfs/dbraw/zinc/75/34/26/454753426.db2.gz WOLGFSLPPZEUFC-NQIIRXRSSA-N 3 2 329.532 3.279 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000137939846 454787740 /nfs/dbraw/zinc/78/77/40/454787740.db2.gz SGRXZQMWSSZYPW-SJORKVTESA-N 2 2 332.517 3.396 20 0 EGADLP Cc1cc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)ccc1F ZINC000163043464 454819516 /nfs/dbraw/zinc/81/95/16/454819516.db2.gz UTQCQZPCSWHTER-UHFFFAOYSA-N 2 2 334.358 3.270 20 0 EGADLP Oc1cccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC2CC2)c1 ZINC000177085974 454821753 /nfs/dbraw/zinc/82/17/53/454821753.db2.gz XUMQAEGMFLVCKP-UHFFFAOYSA-N 2 2 334.423 3.385 20 0 EGADLP Oc1cccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC2CC2)c1 ZINC000177085974 454821756 /nfs/dbraw/zinc/82/17/56/454821756.db2.gz XUMQAEGMFLVCKP-UHFFFAOYSA-N 2 2 334.423 3.385 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125449539 454823019 /nfs/dbraw/zinc/82/30/19/454823019.db2.gz VPAXHNCDZKKNMA-QGZVFWFLSA-N 2 2 326.488 3.379 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125449539 454823023 /nfs/dbraw/zinc/82/30/23/454823023.db2.gz VPAXHNCDZKKNMA-QGZVFWFLSA-N 2 2 326.488 3.379 20 0 EGADLP CN(C)[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)c1cccs1 ZINC000125529001 454829484 /nfs/dbraw/zinc/82/94/84/454829484.db2.gz OTUFFDBISFHQGW-DOTOQJQBSA-N 2 2 326.469 3.453 20 0 EGADLP C[NH+](C)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccs1 ZINC000125529001 454829489 /nfs/dbraw/zinc/82/94/89/454829489.db2.gz OTUFFDBISFHQGW-DOTOQJQBSA-N 2 2 326.469 3.453 20 0 EGADLP C[N@@H+](Cc1ccnc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177256188 454842909 /nfs/dbraw/zinc/84/29/09/454842909.db2.gz PUKYCLBRJGRQEA-UHFFFAOYSA-N 2 2 344.890 3.269 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000163587834 454857031 /nfs/dbraw/zinc/85/70/31/454857031.db2.gz YGHBFTUVMCZXCY-KXBFYZLASA-N 3 2 335.923 3.234 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000163587834 454857033 /nfs/dbraw/zinc/85/70/33/454857033.db2.gz YGHBFTUVMCZXCY-KXBFYZLASA-N 3 2 335.923 3.234 20 0 EGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000166899388 454916816 /nfs/dbraw/zinc/91/68/16/454916816.db2.gz PFNDCKAVQLLWLZ-IBGZPJMESA-N 2 2 346.434 3.483 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@@H+]1C1CC1 ZINC000151064681 454931955 /nfs/dbraw/zinc/93/19/55/454931955.db2.gz OVSLOLIUGKJHSY-VQIMIIECSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@H+]1C1CC1 ZINC000151064681 454931957 /nfs/dbraw/zinc/93/19/57/454931957.db2.gz OVSLOLIUGKJHSY-VQIMIIECSA-N 2 2 337.467 3.375 20 0 EGADLP CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000114383287 454952511 /nfs/dbraw/zinc/95/25/11/454952511.db2.gz NDIXQTXPVNDUDO-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000178819549 454981281 /nfs/dbraw/zinc/98/12/81/454981281.db2.gz RMMYEUPQBUQWNA-UHFFFAOYSA-N 2 2 348.450 3.420 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000151426657 454983212 /nfs/dbraw/zinc/98/32/12/454983212.db2.gz MSNQNVIHSPGMNJ-OJAHFUOMSA-N 2 2 346.540 3.466 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000151426657 454983217 /nfs/dbraw/zinc/98/32/17/454983217.db2.gz MSNQNVIHSPGMNJ-OJAHFUOMSA-N 2 2 346.540 3.466 20 0 EGADLP C[C@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000127751503 454994024 /nfs/dbraw/zinc/99/40/24/454994024.db2.gz JGGQUQQVLXARRL-MAUKXSAKSA-N 2 2 341.459 3.060 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)sc1C ZINC000127802179 454998691 /nfs/dbraw/zinc/99/86/91/454998691.db2.gz CYIAEWHGUYITDR-KBXCAEBGSA-N 2 2 344.528 3.198 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)sc1C ZINC000127802179 454998694 /nfs/dbraw/zinc/99/86/94/454998694.db2.gz CYIAEWHGUYITDR-KBXCAEBGSA-N 2 2 344.528 3.198 20 0 EGADLP C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151833547 455036395 /nfs/dbraw/zinc/03/63/95/455036395.db2.gz LOKUWLCUAXZNPW-ZDUSSCGKSA-N 2 2 327.350 3.492 20 0 EGADLP CCc1nc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000171305163 455060272 /nfs/dbraw/zinc/06/02/72/455060272.db2.gz VBTNIEVMNMCLTE-HUUCEWRRSA-N 2 2 337.533 3.027 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179718007 455069528 /nfs/dbraw/zinc/06/95/28/455069528.db2.gz URGJHGFALBXPHG-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179718007 455069532 /nfs/dbraw/zinc/06/95/32/455069532.db2.gz URGJHGFALBXPHG-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000156146209 455087093 /nfs/dbraw/zinc/08/70/93/455087093.db2.gz PYPURWZXEVYWNE-UHFFFAOYSA-N 2 2 340.393 3.112 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152418105 455115959 /nfs/dbraw/zinc/11/59/59/455115959.db2.gz MUDNUOCBVXTYDF-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152418105 455115960 /nfs/dbraw/zinc/11/59/60/455115960.db2.gz MUDNUOCBVXTYDF-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152418105 455115962 /nfs/dbraw/zinc/11/59/62/455115962.db2.gz MUDNUOCBVXTYDF-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152418105 455115964 /nfs/dbraw/zinc/11/59/64/455115964.db2.gz MUDNUOCBVXTYDF-JENIJYKNSA-N 2 2 345.531 3.088 20 0 EGADLP CN(C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1)C(=O)OC(C)(C)C ZINC000180055902 455124370 /nfs/dbraw/zinc/12/43/70/455124370.db2.gz TWULQHGGURDSNL-HNNXBMFYSA-N 2 2 344.459 3.023 20 0 EGADLP CN(C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1)C(=O)OC(C)(C)C ZINC000180055902 455124373 /nfs/dbraw/zinc/12/43/73/455124373.db2.gz TWULQHGGURDSNL-HNNXBMFYSA-N 2 2 344.459 3.023 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000156561346 455132990 /nfs/dbraw/zinc/13/29/90/455132990.db2.gz RBJCYBAXUGKEPG-FUHWJXTLSA-N 2 2 342.487 3.134 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000156561346 455132992 /nfs/dbraw/zinc/13/29/92/455132992.db2.gz RBJCYBAXUGKEPG-FUHWJXTLSA-N 2 2 342.487 3.134 20 0 EGADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000156669307 455143027 /nfs/dbraw/zinc/14/30/27/455143027.db2.gz GLTDTFPSWWYLFT-WOJBJXKFSA-N 2 2 345.531 3.475 20 0 EGADLP Cc1ccc(CC[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)cc1 ZINC000182802849 455167820 /nfs/dbraw/zinc/16/78/20/455167820.db2.gz GDJVVIMTTHUNOP-FQEVSTJZSA-N 2 2 327.472 3.305 20 0 EGADLP Cc1ccc(CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)cc1 ZINC000182802849 455167821 /nfs/dbraw/zinc/16/78/21/455167821.db2.gz GDJVVIMTTHUNOP-FQEVSTJZSA-N 2 2 327.472 3.305 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000237330194 455174434 /nfs/dbraw/zinc/17/44/34/455174434.db2.gz XXIMBDDKNWTHSF-STQMWFEESA-N 2 2 343.393 3.106 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000237330194 455174438 /nfs/dbraw/zinc/17/44/38/455174438.db2.gz XXIMBDDKNWTHSF-STQMWFEESA-N 2 2 343.393 3.106 20 0 EGADLP CCN(C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1)CC(F)(F)F ZINC000180551372 455195552 /nfs/dbraw/zinc/19/55/52/455195552.db2.gz PEHLCAWRZKBIEB-AWEZNQCLSA-N 2 2 340.393 3.040 20 0 EGADLP CCN(C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1)CC(F)(F)F ZINC000180551372 455195558 /nfs/dbraw/zinc/19/55/58/455195558.db2.gz PEHLCAWRZKBIEB-AWEZNQCLSA-N 2 2 340.393 3.040 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000183350500 455281015 /nfs/dbraw/zinc/28/10/15/455281015.db2.gz DVOXONIUBFZFMI-BEFAXECRSA-N 2 2 339.487 3.081 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)n1 ZINC000245483907 455312584 /nfs/dbraw/zinc/31/25/84/455312584.db2.gz GISQXMQZGWRROW-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)n1 ZINC000245483907 455312592 /nfs/dbraw/zinc/31/25/92/455312592.db2.gz GISQXMQZGWRROW-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000245483907 455312598 /nfs/dbraw/zinc/31/25/98/455312598.db2.gz GISQXMQZGWRROW-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000245483907 455312605 /nfs/dbraw/zinc/31/26/05/455312605.db2.gz GISQXMQZGWRROW-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173616635 455317058 /nfs/dbraw/zinc/31/70/58/455317058.db2.gz OKZXSVVRQVJRET-AWEZNQCLSA-N 2 2 337.895 3.438 20 0 EGADLP Cc1cc(NCc2ccccc2OCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000265403377 455319181 /nfs/dbraw/zinc/31/91/81/455319181.db2.gz YWFDTVFBTSBHAH-UHFFFAOYSA-N 2 2 326.444 3.215 20 0 EGADLP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245721844 455364372 /nfs/dbraw/zinc/36/43/72/455364372.db2.gz PWLARCFSOHQHEO-IAGOWNOFSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245721844 455364376 /nfs/dbraw/zinc/36/43/76/455364376.db2.gz PWLARCFSOHQHEO-IAGOWNOFSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245756228 455373482 /nfs/dbraw/zinc/37/34/82/455373482.db2.gz YRKFFEHDZOQCSD-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CCC1CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245756228 455373486 /nfs/dbraw/zinc/37/34/86/455373486.db2.gz YRKFFEHDZOQCSD-WOJBJXKFSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000182072572 455428318 /nfs/dbraw/zinc/42/83/18/455428318.db2.gz RBYSAWJLYRQKSG-BWAGFHJFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H](C[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000182072572 455428322 /nfs/dbraw/zinc/42/83/22/455428322.db2.gz RBYSAWJLYRQKSG-BWAGFHJFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225325 455452745 /nfs/dbraw/zinc/45/27/45/455452745.db2.gz RKSSTCSTLVVZGA-CABCVRRESA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246225325 455452750 /nfs/dbraw/zinc/45/27/50/455452750.db2.gz RKSSTCSTLVVZGA-CABCVRRESA-N 2 2 335.879 3.085 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884165 455468933 /nfs/dbraw/zinc/46/89/33/455468933.db2.gz BBLQKFBTSSLUKY-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1 ZINC000266884165 455468938 /nfs/dbraw/zinc/46/89/38/455468938.db2.gz BBLQKFBTSSLUKY-HOTGVXAUSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921570 455475329 /nfs/dbraw/zinc/47/53/29/455475329.db2.gz MFJYCUDXQGLNKP-CHWSQXEVSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921570 455475333 /nfs/dbraw/zinc/47/53/33/455475333.db2.gz MFJYCUDXQGLNKP-CHWSQXEVSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C1 ZINC000246458087 455493063 /nfs/dbraw/zinc/49/30/63/455493063.db2.gz YQBQZTMZQZJZJK-QRQLOZEOSA-N 2 2 327.472 3.307 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C1 ZINC000246458087 455493069 /nfs/dbraw/zinc/49/30/69/455493069.db2.gz YQBQZTMZQZJZJK-QRQLOZEOSA-N 2 2 327.472 3.307 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000246492464 455501727 /nfs/dbraw/zinc/50/17/27/455501727.db2.gz RURBKQCUQZLRCT-IRXDYDNUSA-N 2 2 347.507 3.014 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000246492464 455501731 /nfs/dbraw/zinc/50/17/31/455501731.db2.gz RURBKQCUQZLRCT-IRXDYDNUSA-N 2 2 347.507 3.014 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@](C)(Cc3ccccc3)[C@@H](C)O)c[nH+]c12 ZINC000191715166 455513293 /nfs/dbraw/zinc/51/32/93/455513293.db2.gz VUYGLWAWHUKTRB-UTKZUKDTSA-N 2 2 337.467 3.362 20 0 EGADLP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000185200284 455520701 /nfs/dbraw/zinc/52/07/01/455520701.db2.gz CGDUQZYHWKQQKB-RBUKOAKNSA-N 2 2 331.504 3.228 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000191836015 455523812 /nfs/dbraw/zinc/52/38/12/455523812.db2.gz SHJMWRZGRMKASS-JOCHJYFZSA-N 2 2 336.479 3.035 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3Cc4ccccc4C3)C2)cc1 ZINC000191836015 455523815 /nfs/dbraw/zinc/52/38/15/455523815.db2.gz SHJMWRZGRMKASS-JOCHJYFZSA-N 2 2 336.479 3.035 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000182519308 455531871 /nfs/dbraw/zinc/53/18/71/455531871.db2.gz MTBSVSHZIWTWSN-CQSZACIVSA-N 2 2 331.460 3.445 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@H]1OCCc2ccccc21 ZINC000267362590 455547008 /nfs/dbraw/zinc/54/70/08/455547008.db2.gz IOTBDZDTPFOJTI-LJQANCHMSA-N 2 2 334.423 3.013 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@H]1OCCc2ccccc21 ZINC000267362590 455547013 /nfs/dbraw/zinc/54/70/13/455547013.db2.gz IOTBDZDTPFOJTI-LJQANCHMSA-N 2 2 334.423 3.013 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247036936 455549298 /nfs/dbraw/zinc/54/92/98/455549298.db2.gz MOBAIEBYXOENFA-DUXKGJEZSA-N 2 2 339.483 3.269 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247036936 455549303 /nfs/dbraw/zinc/54/93/03/455549303.db2.gz MOBAIEBYXOENFA-DUXKGJEZSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1cnn(-c2cc[nH+]cc2NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000182667786 455563751 /nfs/dbraw/zinc/56/37/51/455563751.db2.gz VAFBEPKMYSWEOX-UHFFFAOYSA-N 2 2 334.427 3.183 20 0 EGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000192354146 455594487 /nfs/dbraw/zinc/59/44/87/455594487.db2.gz KKRAAXLNCLMORY-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000192354146 455594493 /nfs/dbraw/zinc/59/44/93/455594493.db2.gz KKRAAXLNCLMORY-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP Cc1nnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000271387509 455618809 /nfs/dbraw/zinc/61/88/09/455618809.db2.gz FKRMMCLWJMYGLK-UHFFFAOYSA-N 2 2 330.501 3.191 20 0 EGADLP Cc1nnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000271387509 455618812 /nfs/dbraw/zinc/61/88/12/455618812.db2.gz FKRMMCLWJMYGLK-UHFFFAOYSA-N 2 2 330.501 3.191 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000271426008 455632594 /nfs/dbraw/zinc/63/25/94/455632594.db2.gz AGPPJHKAYKTGDK-KRWDZBQOSA-N 2 2 325.456 3.120 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247688662 455638192 /nfs/dbraw/zinc/63/81/92/455638192.db2.gz VOFHAQMENDHZBL-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247688662 455638198 /nfs/dbraw/zinc/63/81/98/455638198.db2.gz VOFHAQMENDHZBL-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247688662 455638201 /nfs/dbraw/zinc/63/82/01/455638201.db2.gz VOFHAQMENDHZBL-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247688662 455638206 /nfs/dbraw/zinc/63/82/06/455638206.db2.gz VOFHAQMENDHZBL-UKRRQHHQSA-N 2 2 339.430 3.098 20 0 EGADLP Cc1noc(C[C@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)c2ccccc2)n1 ZINC000277707243 455641422 /nfs/dbraw/zinc/64/14/22/455641422.db2.gz RZWHFIIFZRPGFY-SFHVURJKSA-N 2 2 347.422 3.408 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000247944386 455657419 /nfs/dbraw/zinc/65/74/19/455657419.db2.gz HBFKZBMVAOOVJI-HLIPFELVSA-N 2 2 334.504 3.134 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000247944386 455657425 /nfs/dbraw/zinc/65/74/25/455657425.db2.gz HBFKZBMVAOOVJI-HLIPFELVSA-N 2 2 334.504 3.134 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247968197 455661185 /nfs/dbraw/zinc/66/11/85/455661185.db2.gz IOUDAQNYSZVOPJ-TZIWHRDSSA-N 3 2 344.547 3.004 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247968197 455661189 /nfs/dbraw/zinc/66/11/89/455661189.db2.gz IOUDAQNYSZVOPJ-TZIWHRDSSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789962 455667091 /nfs/dbraw/zinc/66/70/91/455667091.db2.gz WCPMPBFCLZMPNE-UIAACRFSSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789962 455667096 /nfs/dbraw/zinc/66/70/96/455667096.db2.gz WCPMPBFCLZMPNE-UIAACRFSSA-N 2 2 328.431 3.112 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000248065387 455677434 /nfs/dbraw/zinc/67/74/34/455677434.db2.gz ZJIWALVPEYJFRN-HUUCEWRRSA-N 2 2 342.430 3.295 20 0 EGADLP COc1ccncc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000292596036 455707388 /nfs/dbraw/zinc/70/73/88/455707388.db2.gz GXFTUQVDIDISHS-UHFFFAOYSA-N 2 2 343.446 3.026 20 0 EGADLP CO[C@H](C)c1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000268892970 455720626 /nfs/dbraw/zinc/72/06/26/455720626.db2.gz AKLXVMJKMLWGEW-CYBMUJFWSA-N 2 2 332.473 3.004 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268907814 455725442 /nfs/dbraw/zinc/72/54/42/455725442.db2.gz NMSINJVRXFKCEM-JTDSTZFVSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268907814 455725445 /nfs/dbraw/zinc/72/54/45/455725445.db2.gz NMSINJVRXFKCEM-JTDSTZFVSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)oc2cc1C ZINC000268928311 455733076 /nfs/dbraw/zinc/73/30/76/455733076.db2.gz QDWUDSVPLVTBAY-NVXWUHKLSA-N 2 2 343.471 3.040 20 0 EGADLP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)oc2cc1C ZINC000268928311 455733079 /nfs/dbraw/zinc/73/30/79/455733079.db2.gz QDWUDSVPLVTBAY-NVXWUHKLSA-N 2 2 343.471 3.040 20 0 EGADLP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186324548 455743649 /nfs/dbraw/zinc/74/36/49/455743649.db2.gz LAVBSFNGMWGPBU-VQIMIIECSA-N 2 2 345.531 3.305 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778883 455755735 /nfs/dbraw/zinc/75/57/35/455755735.db2.gz YYIVBUPLQACKAE-GDBMZVCRSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778883 455755739 /nfs/dbraw/zinc/75/57/39/455755739.db2.gz YYIVBUPLQACKAE-GDBMZVCRSA-N 2 2 334.460 3.386 20 0 EGADLP COc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000269131509 455795258 /nfs/dbraw/zinc/79/52/58/455795258.db2.gz INAUJOBIXRLLQG-UHFFFAOYSA-N 2 2 340.471 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@@H+]1C ZINC000186570058 455795597 /nfs/dbraw/zinc/79/55/97/455795597.db2.gz GAQWAEWRBQVARI-COXVUDFISA-N 2 2 343.437 3.380 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@H+]1C ZINC000186570058 455795604 /nfs/dbraw/zinc/79/56/04/455795604.db2.gz GAQWAEWRBQVARI-COXVUDFISA-N 2 2 343.437 3.380 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]1 ZINC000278257963 455800605 /nfs/dbraw/zinc/80/06/05/455800605.db2.gz NJTZZJYSJLZWJS-GXTWGEPZSA-N 2 2 345.830 3.398 20 0 EGADLP C=Cn1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000194184780 455813184 /nfs/dbraw/zinc/81/31/84/455813184.db2.gz YIZFCESFNUMTGT-UHFFFAOYSA-N 2 2 330.863 3.391 20 0 EGADLP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c2ccccc21 ZINC000278371538 455831583 /nfs/dbraw/zinc/83/15/83/455831583.db2.gz CGKKSHJYOAXYTR-UXHICEINSA-N 2 2 343.515 3.013 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272165513 455864672 /nfs/dbraw/zinc/86/46/72/455864672.db2.gz GPIOWOCRTAHRKZ-IEBWSBKVSA-N 2 2 334.467 3.335 20 0 EGADLP C[C@@H]([NH2+]Cc1cn2ccccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272165513 455864675 /nfs/dbraw/zinc/86/46/75/455864675.db2.gz GPIOWOCRTAHRKZ-IEBWSBKVSA-N 2 2 334.467 3.335 20 0 EGADLP O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000285568132 455871467 /nfs/dbraw/zinc/87/14/67/455871467.db2.gz NNQBTSGBGVKVLP-INIZCTEOSA-N 2 2 339.361 3.152 20 0 EGADLP O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000285568132 455871469 /nfs/dbraw/zinc/87/14/69/455871469.db2.gz NNQBTSGBGVKVLP-INIZCTEOSA-N 2 2 339.361 3.152 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000187369160 455901908 /nfs/dbraw/zinc/90/19/08/455901908.db2.gz LSYKFHCGTADRHB-GIVPXCGWSA-N 2 2 328.500 3.151 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000187369160 455901912 /nfs/dbraw/zinc/90/19/12/455901912.db2.gz LSYKFHCGTADRHB-GIVPXCGWSA-N 2 2 328.500 3.151 20 0 EGADLP CCCOc1ccc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000261607928 455912085 /nfs/dbraw/zinc/91/20/85/455912085.db2.gz DCYNRQKXTUQCAY-UHFFFAOYSA-N 2 2 332.488 3.318 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccnc1 ZINC000272330457 455915828 /nfs/dbraw/zinc/91/58/28/455915828.db2.gz XUCZNACKQRPDCA-HNNXBMFYSA-N 2 2 325.460 3.180 20 0 EGADLP FC(F)(F)Oc1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCOCC2)c1 ZINC000280210017 455917249 /nfs/dbraw/zinc/91/72/49/455917249.db2.gz JVIQTMXAKNVQAG-UHFFFAOYSA-N 2 2 341.333 3.104 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000272376390 455930371 /nfs/dbraw/zinc/93/03/71/455930371.db2.gz HETKYGSSMWHOMX-UHFFFAOYSA-N 2 2 333.476 3.358 20 0 EGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452869 455954917 /nfs/dbraw/zinc/95/49/17/455954917.db2.gz PWSAHYUSUXWQDY-IRLDBZIGSA-N 2 2 337.511 3.228 20 0 EGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452869 455954924 /nfs/dbraw/zinc/95/49/24/455954924.db2.gz PWSAHYUSUXWQDY-IRLDBZIGSA-N 2 2 337.511 3.228 20 0 EGADLP CCCCn1c(SCc2cc[nH+]c(N)c2)nnc1[C@H](CC)[NH+](C)C ZINC000195499886 455968624 /nfs/dbraw/zinc/96/86/24/455968624.db2.gz KJZHQGJWIRAXDD-AWEZNQCLSA-N 2 2 348.520 3.360 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272503088 455973224 /nfs/dbraw/zinc/97/32/24/455973224.db2.gz DYYOOVKUODARKN-MRXNPFEDSA-N 2 2 330.394 3.381 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000262087175 455994702 /nfs/dbraw/zinc/99/47/02/455994702.db2.gz YDCRZIYZICZUEI-DOTOQJQBSA-N 2 2 343.858 3.095 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000262087175 455994710 /nfs/dbraw/zinc/99/47/10/455994710.db2.gz YDCRZIYZICZUEI-DOTOQJQBSA-N 2 2 343.858 3.095 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634302 456020914 /nfs/dbraw/zinc/02/09/14/456020914.db2.gz NNGSQUGHKPWCJC-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634302 456020917 /nfs/dbraw/zinc/02/09/17/456020917.db2.gz NNGSQUGHKPWCJC-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634302 456020920 /nfs/dbraw/zinc/02/09/20/456020920.db2.gz NNGSQUGHKPWCJC-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)[C@H]2C1 ZINC000272634302 456020924 /nfs/dbraw/zinc/02/09/24/456020924.db2.gz NNGSQUGHKPWCJC-CTNGQTDRSA-N 2 2 337.467 3.187 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC(F)F ZINC000272680392 456036918 /nfs/dbraw/zinc/03/69/18/456036918.db2.gz VHOFAARJIDVLBM-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC(F)F ZINC000272680392 456036921 /nfs/dbraw/zinc/03/69/21/456036921.db2.gz VHOFAARJIDVLBM-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OC(F)F ZINC000272680392 456036928 /nfs/dbraw/zinc/03/69/28/456036928.db2.gz VHOFAARJIDVLBM-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC(F)F ZINC000272680392 456036933 /nfs/dbraw/zinc/03/69/33/456036933.db2.gz VHOFAARJIDVLBM-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680384 456037911 /nfs/dbraw/zinc/03/79/11/456037911.db2.gz VHOFAARJIDVLBM-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680384 456037919 /nfs/dbraw/zinc/03/79/19/456037919.db2.gz VHOFAARJIDVLBM-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680384 456037924 /nfs/dbraw/zinc/03/79/24/456037924.db2.gz VHOFAARJIDVLBM-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC(F)F ZINC000272680384 456037931 /nfs/dbraw/zinc/03/79/31/456037931.db2.gz VHOFAARJIDVLBM-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000272741944 456057668 /nfs/dbraw/zinc/05/76/68/456057668.db2.gz LEPYMOGBGULCJL-KSSFIOAISA-N 2 2 345.512 3.259 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cs1 ZINC000272741944 456057673 /nfs/dbraw/zinc/05/76/73/456057673.db2.gz LEPYMOGBGULCJL-KSSFIOAISA-N 2 2 345.512 3.259 20 0 EGADLP COC(=O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000272761555 456063298 /nfs/dbraw/zinc/06/32/98/456063298.db2.gz QGIRAGBQPXKOIS-UHFFFAOYSA-N 2 2 338.879 3.093 20 0 EGADLP Cc1[nH+]ccn1CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000296933025 456069317 /nfs/dbraw/zinc/06/93/17/456069317.db2.gz BETCPFPEIRPVFG-UHFFFAOYSA-N 2 2 335.411 3.030 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000271004672 456093874 /nfs/dbraw/zinc/09/38/74/456093874.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000271004672 456093880 /nfs/dbraw/zinc/09/38/80/456093880.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004672 456093881 /nfs/dbraw/zinc/09/38/81/456093881.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 3 2 326.488 3.293 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000271004672 456093888 /nfs/dbraw/zinc/09/38/88/456093888.db2.gz KWLJSHVKVJASGN-ZWKOTPCHSA-N 3 2 326.488 3.293 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968213 456095974 /nfs/dbraw/zinc/09/59/74/456095974.db2.gz KGUAJHIPGUSKQK-CEXWTWQISA-N 2 2 340.471 3.173 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968213 456095976 /nfs/dbraw/zinc/09/59/76/456095976.db2.gz KGUAJHIPGUSKQK-CEXWTWQISA-N 2 2 340.471 3.173 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3cccs3)CC2)c2c([nH+]1)CCCC2 ZINC000301547052 456143792 /nfs/dbraw/zinc/14/37/92/456143792.db2.gz FJXUGUHDMLITJS-UHFFFAOYSA-N 2 2 328.485 3.048 20 0 EGADLP Cc1cc(NCC2([NH+]3CCCCC3)CCOCC2)nc(C(C)C)[nH+]1 ZINC000301552377 456145342 /nfs/dbraw/zinc/14/53/42/456145342.db2.gz GIZGNIBVFACDBS-UHFFFAOYSA-N 2 2 332.492 3.355 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]C2CCCCCC2)c1 ZINC000236583156 456157221 /nfs/dbraw/zinc/15/72/21/456157221.db2.gz VDCFNFLETQSTSP-UHFFFAOYSA-N 2 2 332.488 3.210 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289857762 456157415 /nfs/dbraw/zinc/15/74/15/456157415.db2.gz VGNMWJLWXOQNKI-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000289857762 456157421 /nfs/dbraw/zinc/15/74/21/456157421.db2.gz VGNMWJLWXOQNKI-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289857762 456157430 /nfs/dbraw/zinc/15/74/30/456157430.db2.gz VGNMWJLWXOQNKI-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289857762 456157434 /nfs/dbraw/zinc/15/74/34/456157434.db2.gz VGNMWJLWXOQNKI-YIONKMFJSA-N 2 2 340.414 3.354 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000281203924 456163725 /nfs/dbraw/zinc/16/37/25/456163725.db2.gz JFXFGGMJNNUWOT-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000281203924 456163729 /nfs/dbraw/zinc/16/37/29/456163729.db2.gz JFXFGGMJNNUWOT-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000281203924 456163732 /nfs/dbraw/zinc/16/37/32/456163732.db2.gz JFXFGGMJNNUWOT-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000281203924 456163735 /nfs/dbraw/zinc/16/37/35/456163735.db2.gz JFXFGGMJNNUWOT-OYRHEFFESA-N 2 2 338.499 3.336 20 0 EGADLP CC[NH+](CC)CCOCC[N@H+](Cc1ncc(C)o1)Cc1ccccc1 ZINC000273073468 456168776 /nfs/dbraw/zinc/16/87/76/456168776.db2.gz OVSHPWFNVPHGCT-UHFFFAOYSA-N 2 2 345.487 3.344 20 0 EGADLP CC[NH+](CC)CCOCC[N@@H+](Cc1ncc(C)o1)Cc1ccccc1 ZINC000273073468 456168784 /nfs/dbraw/zinc/16/87/84/456168784.db2.gz OVSHPWFNVPHGCT-UHFFFAOYSA-N 2 2 345.487 3.344 20 0 EGADLP Cc1nc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)c(C)[nH+]1 ZINC000301715169 456195192 /nfs/dbraw/zinc/19/51/92/456195192.db2.gz ZSTSYPFDRAXVJF-CQSZACIVSA-N 2 2 340.471 3.235 20 0 EGADLP Cc1nc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)c(C)[nH+]1 ZINC000301715169 456195199 /nfs/dbraw/zinc/19/51/99/456195199.db2.gz ZSTSYPFDRAXVJF-CQSZACIVSA-N 2 2 340.471 3.235 20 0 EGADLP CCN(CC)c1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)c[nH+]1 ZINC000236910363 456200047 /nfs/dbraw/zinc/20/00/47/456200047.db2.gz PXMZHBBCQLFFIE-GOSISDBHSA-N 2 2 340.471 3.024 20 0 EGADLP C[C@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000301734280 456200594 /nfs/dbraw/zinc/20/05/94/456200594.db2.gz AOIMHWRVCBYTED-KBPBESRZSA-N 2 2 334.508 3.203 20 0 EGADLP C[C@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000301734280 456200603 /nfs/dbraw/zinc/20/06/03/456200603.db2.gz AOIMHWRVCBYTED-KBPBESRZSA-N 2 2 334.508 3.203 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000236950412 456207377 /nfs/dbraw/zinc/20/73/77/456207377.db2.gz RTODSIHVYVSWDS-QGZVFWFLSA-N 2 2 326.444 3.431 20 0 EGADLP C[C@H]1C[NH+](CCC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C[C@H](C)O1 ZINC000301894750 456244711 /nfs/dbraw/zinc/24/47/11/456244711.db2.gz SZNMJZLWOWYEPW-HOTGVXAUSA-N 2 2 342.487 3.279 20 0 EGADLP Cc1ccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)cc1 ZINC000301897310 456245292 /nfs/dbraw/zinc/24/52/92/456245292.db2.gz VNOATQXXIDVRLL-LJQANCHMSA-N 2 2 336.439 3.357 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)n1 ZINC000290173986 456259087 /nfs/dbraw/zinc/25/90/87/456259087.db2.gz MZNTXRSJDDXVTG-CQSZACIVSA-N 2 2 338.411 3.135 20 0 EGADLP OCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(Cl)cc(Cl)c1 ZINC000623798943 460721901 /nfs/dbraw/zinc/72/19/01/460721901.db2.gz JRFALQXKPKANCD-OAHLLOKOSA-N 2 2 340.254 3.349 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000352765636 456287277 /nfs/dbraw/zinc/28/72/77/456287277.db2.gz QGCFSEXUVXHIRM-FUHWJXTLSA-N 2 2 349.475 3.354 20 0 EGADLP CCOc1ncccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340171906 456288373 /nfs/dbraw/zinc/28/83/73/456288373.db2.gz COXRZRKNIYZAJW-OALUTQOASA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1ncccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340171906 456288380 /nfs/dbraw/zinc/28/83/80/456288380.db2.gz COXRZRKNIYZAJW-OALUTQOASA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc(C)c(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000347667868 456292823 /nfs/dbraw/zinc/29/28/23/456292823.db2.gz DPLWBINDNLRYBA-UHFFFAOYSA-N 2 2 349.500 3.162 20 0 EGADLP COc1cc(C)c(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000347667868 456292832 /nfs/dbraw/zinc/29/28/32/456292832.db2.gz DPLWBINDNLRYBA-UHFFFAOYSA-N 2 2 349.500 3.162 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)c1OC ZINC000347686504 456305984 /nfs/dbraw/zinc/30/59/84/456305984.db2.gz SHIONPOHMYYBAI-UHFFFAOYSA-N 2 2 332.488 3.463 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2ccc(C)cn12 ZINC000290372058 456309039 /nfs/dbraw/zinc/30/90/39/456309039.db2.gz HMHINQXQARDGCN-UHFFFAOYSA-N 2 2 325.460 3.314 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2ccc(C)cn12 ZINC000290372058 456309042 /nfs/dbraw/zinc/30/90/42/456309042.db2.gz HMHINQXQARDGCN-UHFFFAOYSA-N 2 2 325.460 3.314 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc(OC)c1 ZINC000336793967 456309908 /nfs/dbraw/zinc/30/99/08/456309908.db2.gz ZEEFIFVOBWDGKW-HRAATJIYSA-N 2 2 340.467 3.456 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc(OC)c1 ZINC000336793967 456309916 /nfs/dbraw/zinc/30/99/16/456309916.db2.gz ZEEFIFVOBWDGKW-HRAATJIYSA-N 2 2 340.467 3.456 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000297904143 456321239 /nfs/dbraw/zinc/32/12/39/456321239.db2.gz RVEXVFPQMRTAKU-OAHLLOKOSA-N 2 2 344.528 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000297904143 456321245 /nfs/dbraw/zinc/32/12/45/456321245.db2.gz RVEXVFPQMRTAKU-OAHLLOKOSA-N 2 2 344.528 3.499 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268261 456342472 /nfs/dbraw/zinc/34/24/72/456342472.db2.gz JYBTXFZFZUITMU-HXUWFJFHSA-N 2 2 345.531 3.308 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268261 456342476 /nfs/dbraw/zinc/34/24/76/456342476.db2.gz JYBTXFZFZUITMU-HXUWFJFHSA-N 2 2 345.531 3.308 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000290537058 456357937 /nfs/dbraw/zinc/35/79/37/456357937.db2.gz YNMKRRMIKDXSPF-HXUWFJFHSA-N 2 2 328.456 3.433 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)c(OC(F)F)cc1C ZINC000347768924 456358785 /nfs/dbraw/zinc/35/87/85/456358785.db2.gz FALRLHWLBZUQHH-OAHLLOKOSA-N 2 2 342.430 3.105 20 0 EGADLP Brc1ccc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)nc1 ZINC000340285086 456362470 /nfs/dbraw/zinc/36/24/70/456362470.db2.gz MTZCWMDUIXGFCD-HNNXBMFYSA-N 2 2 335.249 3.268 20 0 EGADLP Brc1ccc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)nc1 ZINC000340285086 456362477 /nfs/dbraw/zinc/36/24/77/456362477.db2.gz MTZCWMDUIXGFCD-HNNXBMFYSA-N 2 2 335.249 3.268 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000347804777 456378421 /nfs/dbraw/zinc/37/84/21/456378421.db2.gz GRQRGRYXNFXFTQ-AWEZNQCLSA-N 2 2 325.412 3.004 20 0 EGADLP CCOC(CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)OCC ZINC000276261850 456427385 /nfs/dbraw/zinc/42/73/85/456427385.db2.gz WSIGDIAHWVVYDP-PKOBYXMFSA-N 2 2 334.504 3.276 20 0 EGADLP CCOC(CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)OCC ZINC000276261850 456427390 /nfs/dbraw/zinc/42/73/90/456427390.db2.gz WSIGDIAHWVVYDP-PKOBYXMFSA-N 2 2 334.504 3.276 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340482028 456485472 /nfs/dbraw/zinc/48/54/72/456485472.db2.gz CLNIJIIZOLEACX-LMNJBCLMSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000340482028 456485476 /nfs/dbraw/zinc/48/54/76/456485476.db2.gz CLNIJIIZOLEACX-LMNJBCLMSA-N 2 2 345.531 3.070 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340386588 456431114 /nfs/dbraw/zinc/43/11/14/456431114.db2.gz DLMVNUSNVZGQPH-FXAWDEMLSA-N 2 2 339.483 3.275 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340386588 456431116 /nfs/dbraw/zinc/43/11/16/456431116.db2.gz DLMVNUSNVZGQPH-FXAWDEMLSA-N 2 2 339.483 3.275 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000340389222 456432752 /nfs/dbraw/zinc/43/27/52/456432752.db2.gz FIYLLPVBFDKSAK-YLJYHZDGSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2cnn3ccccc23)CCC[N@H+]1Cc1ccccc1 ZINC000340389222 456432757 /nfs/dbraw/zinc/43/27/57/456432757.db2.gz FIYLLPVBFDKSAK-YLJYHZDGSA-N 2 2 334.467 3.477 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302905973 456434737 /nfs/dbraw/zinc/43/47/37/456434737.db2.gz SYAJLMGVGBXUEI-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]2CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000302905973 456434743 /nfs/dbraw/zinc/43/47/43/456434743.db2.gz SYAJLMGVGBXUEI-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC3Cc4ccccc4C3)c12 ZINC000337632883 456442503 /nfs/dbraw/zinc/44/25/03/456442503.db2.gz ZIOGSBAZZQDUIZ-UHFFFAOYSA-N 2 2 342.406 3.037 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000303066212 456443462 /nfs/dbraw/zinc/44/34/62/456443462.db2.gz ZSEQPDMDBGMKCL-UFYCRDLUSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000303066212 456443467 /nfs/dbraw/zinc/44/34/67/456443467.db2.gz ZSEQPDMDBGMKCL-UFYCRDLUSA-N 2 2 349.563 3.125 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455249 456469147 /nfs/dbraw/zinc/46/91/47/456469147.db2.gz LEKMOOBCJMGEBR-DEYYWGMASA-N 2 2 328.435 3.145 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000340455249 456469152 /nfs/dbraw/zinc/46/91/52/456469152.db2.gz LEKMOOBCJMGEBR-DEYYWGMASA-N 2 2 328.435 3.145 20 0 EGADLP Cc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)c(N2CCOCC2)c1 ZINC000348091264 456471945 /nfs/dbraw/zinc/47/19/45/456471945.db2.gz LEAAYWJFONYBCH-UHFFFAOYSA-N 2 2 339.483 3.257 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479843 456484470 /nfs/dbraw/zinc/48/44/70/456484470.db2.gz NGDOKOUFRXFLIU-PZJWPPBQSA-N 3 2 344.547 3.148 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479843 456484477 /nfs/dbraw/zinc/48/44/77/456484477.db2.gz NGDOKOUFRXFLIU-PZJWPPBQSA-N 3 2 344.547 3.148 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303741442 456481352 /nfs/dbraw/zinc/48/13/52/456481352.db2.gz ZFYILAYJYSHYSD-LJQANCHMSA-N 2 2 330.520 3.106 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000303741442 456481359 /nfs/dbraw/zinc/48/13/59/456481359.db2.gz ZFYILAYJYSHYSD-LJQANCHMSA-N 2 2 330.520 3.106 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000298579300 456494553 /nfs/dbraw/zinc/49/45/53/456494553.db2.gz QYIRCQKKAIAISO-SFHVURJKSA-N 2 2 340.471 3.111 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000298579300 456494559 /nfs/dbraw/zinc/49/45/59/456494559.db2.gz QYIRCQKKAIAISO-SFHVURJKSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[N@H+](C)Cc1ccccc1 ZINC000348127474 456501741 /nfs/dbraw/zinc/50/17/41/456501741.db2.gz SFPUZHFEQRFTRX-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[N@@H+](C)Cc1ccccc1 ZINC000348127474 456501746 /nfs/dbraw/zinc/50/17/46/456501746.db2.gz SFPUZHFEQRFTRX-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000343282101 456507042 /nfs/dbraw/zinc/50/70/42/456507042.db2.gz HZKBQTCTRMGYOF-UHFFFAOYSA-N 2 2 338.398 3.283 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000343282101 456507048 /nfs/dbraw/zinc/50/70/48/456507048.db2.gz HZKBQTCTRMGYOF-UHFFFAOYSA-N 2 2 338.398 3.283 20 0 EGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccncc1F ZINC000340519863 456507419 /nfs/dbraw/zinc/50/74/19/456507419.db2.gz QWUMFBVOIJTAAA-INIZCTEOSA-N 2 2 335.467 3.154 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291051670 456510846 /nfs/dbraw/zinc/51/08/46/456510846.db2.gz BZVLCTVUJGETRY-HIFRSBDPSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000291051670 456510848 /nfs/dbraw/zinc/51/08/48/456510848.db2.gz BZVLCTVUJGETRY-HIFRSBDPSA-N 2 2 339.361 3.342 20 0 EGADLP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000343315382 456525632 /nfs/dbraw/zinc/52/56/32/456525632.db2.gz PRBDGKINQOTNRE-MSOLQXFVSA-N 2 2 331.847 3.031 20 0 EGADLP CC[N@H+]1CCO[C@H](CNc2cc[nH+]cc2Cl)[C@@H]1c1ccccc1 ZINC000343315382 456525636 /nfs/dbraw/zinc/52/56/36/456525636.db2.gz PRBDGKINQOTNRE-MSOLQXFVSA-N 2 2 331.847 3.031 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@@H](C)C1 ZINC000343364278 456562051 /nfs/dbraw/zinc/56/20/51/456562051.db2.gz PZKWEAOXABTTBA-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)[C@@H](C)C1 ZINC000343364278 456562056 /nfs/dbraw/zinc/56/20/56/456562056.db2.gz PZKWEAOXABTTBA-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000343364291 456562429 /nfs/dbraw/zinc/56/24/29/456562429.db2.gz PZKWEAOXABTTBA-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000343364291 456562432 /nfs/dbraw/zinc/56/24/32/456562432.db2.gz PZKWEAOXABTTBA-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1F ZINC000305857189 456565271 /nfs/dbraw/zinc/56/52/71/456565271.db2.gz RVQMTBCSLJUKSI-UHFFFAOYSA-N 2 2 344.430 3.224 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1F ZINC000305857189 456565274 /nfs/dbraw/zinc/56/52/74/456565274.db2.gz RVQMTBCSLJUKSI-UHFFFAOYSA-N 2 2 344.430 3.224 20 0 EGADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc3c(c1)[nH+]c(C1CC1)n3C)C2 ZINC000291208818 456565419 /nfs/dbraw/zinc/56/54/19/456565419.db2.gz FOIKUJYIPJEALZ-AWEZNQCLSA-N 2 2 349.438 3.157 20 0 EGADLP O=C(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067192 456591497 /nfs/dbraw/zinc/59/14/97/456591497.db2.gz LMCKWSPIQZABMM-PMACEKPBSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067192 456591501 /nfs/dbraw/zinc/59/15/01/456591501.db2.gz LMCKWSPIQZABMM-PMACEKPBSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067192 456591505 /nfs/dbraw/zinc/59/15/05/456591505.db2.gz LMCKWSPIQZABMM-PMACEKPBSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067192 456591510 /nfs/dbraw/zinc/59/15/10/456591510.db2.gz LMCKWSPIQZABMM-PMACEKPBSA-N 2 2 349.478 3.079 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@@H]3c3ccnn3C(C)C)c[nH+]c12 ZINC000343405201 456598065 /nfs/dbraw/zinc/59/80/65/456598065.db2.gz ZZQPUQXELGEBRC-AEFFLSMTSA-N 2 2 339.443 3.040 20 0 EGADLP CCCOc1cccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000353283693 456609628 /nfs/dbraw/zinc/60/96/28/456609628.db2.gz AMCKVFDFQMLXNU-UHFFFAOYSA-N 2 2 341.455 3.201 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000282746399 456611276 /nfs/dbraw/zinc/61/12/76/456611276.db2.gz GMHWCEDYCUQUDB-SFHVURJKSA-N 2 2 341.503 3.190 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000282746399 456611281 /nfs/dbraw/zinc/61/12/81/456611281.db2.gz GMHWCEDYCUQUDB-SFHVURJKSA-N 2 2 341.503 3.190 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000282746399 456611287 /nfs/dbraw/zinc/61/12/87/456611287.db2.gz GMHWCEDYCUQUDB-SFHVURJKSA-N 2 2 341.503 3.190 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000282746399 456611293 /nfs/dbraw/zinc/61/12/93/456611293.db2.gz GMHWCEDYCUQUDB-SFHVURJKSA-N 2 2 341.503 3.190 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000348309377 456613967 /nfs/dbraw/zinc/61/39/67/456613967.db2.gz GFDMHKUGTYHGRP-DLBZAZTESA-N 2 2 333.524 3.073 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000282754907 456615073 /nfs/dbraw/zinc/61/50/73/456615073.db2.gz NYDVZZWEKNESDL-JENIJYKNSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754907 456615079 /nfs/dbraw/zinc/61/50/79/456615079.db2.gz NYDVZZWEKNESDL-JENIJYKNSA-N 2 2 326.488 3.290 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000299473641 456704145 /nfs/dbraw/zinc/70/41/45/456704145.db2.gz UBSLIZGKYPUYAF-UHFFFAOYSA-N 2 2 342.409 3.071 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000299507158 456714514 /nfs/dbraw/zinc/71/45/14/456714514.db2.gz ANDPYPVBYFFJJZ-UHFFFAOYSA-N 2 2 341.858 3.222 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000299507158 456714519 /nfs/dbraw/zinc/71/45/19/456714519.db2.gz ANDPYPVBYFFJJZ-UHFFFAOYSA-N 2 2 341.858 3.222 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1)Cc1ccco1 ZINC000353544107 456747090 /nfs/dbraw/zinc/74/70/90/456747090.db2.gz ANDLJKKBRZQWFI-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1ccc(F)cc1)Cc1ccco1 ZINC000353544107 456747095 /nfs/dbraw/zinc/74/70/95/456747095.db2.gz ANDLJKKBRZQWFI-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1ccc(F)cc1 ZINC000353544107 456747100 /nfs/dbraw/zinc/74/71/00/456747100.db2.gz ANDLJKKBRZQWFI-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1ccc(F)cc1 ZINC000353544107 456747105 /nfs/dbraw/zinc/74/71/05/456747105.db2.gz ANDLJKKBRZQWFI-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[C@H]([NH2+]CCCO[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338290382 456749522 /nfs/dbraw/zinc/74/95/22/456749522.db2.gz RWOKWQZCXSPKBX-QFBILLFUSA-N 2 2 329.444 3.456 20 0 EGADLP CCc1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000277261469 456750232 /nfs/dbraw/zinc/75/02/32/456750232.db2.gz WYWXCJVLRAXVRT-QGZVFWFLSA-N 2 2 325.460 3.022 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000338291031 456750211 /nfs/dbraw/zinc/75/02/11/456750211.db2.gz UDYRUXQQIHIPHN-MRXNPFEDSA-N 2 2 343.309 3.194 20 0 EGADLP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000277271688 456754078 /nfs/dbraw/zinc/75/40/78/456754078.db2.gz MLGJDEKNRZMONO-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)C1 ZINC000299662607 456758735 /nfs/dbraw/zinc/75/87/35/456758735.db2.gz NFYOGKRLSDGOPS-INIZCTEOSA-N 2 2 326.444 3.144 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)C1 ZINC000299662607 456758742 /nfs/dbraw/zinc/75/87/42/456758742.db2.gz NFYOGKRLSDGOPS-INIZCTEOSA-N 2 2 326.444 3.144 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832581 456776872 /nfs/dbraw/zinc/77/68/72/456776872.db2.gz YJHCYOOCPJKKRW-CJNGLKHVSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832581 456776877 /nfs/dbraw/zinc/77/68/77/456776877.db2.gz YJHCYOOCPJKKRW-CJNGLKHVSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832581 456776883 /nfs/dbraw/zinc/77/68/83/456776883.db2.gz YJHCYOOCPJKKRW-CJNGLKHVSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@@H]21 ZINC000343832581 456776890 /nfs/dbraw/zinc/77/68/90/456776890.db2.gz YJHCYOOCPJKKRW-CJNGLKHVSA-N 2 2 336.863 3.027 20 0 EGADLP Cc1c[nH+]c(CN2CC[NH+](Cc3ccc(Cl)cc3C)CC2)n1C ZINC000348636312 456791796 /nfs/dbraw/zinc/79/17/96/456791796.db2.gz QQOZFTSKTDSNGR-UHFFFAOYSA-N 2 2 332.879 3.008 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616518 456806124 /nfs/dbraw/zinc/80/61/24/456806124.db2.gz AVSSHVYQKVNQPK-HLAWJBBLSA-N 2 2 338.499 3.499 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353616518 456806130 /nfs/dbraw/zinc/80/61/30/456806130.db2.gz AVSSHVYQKVNQPK-HLAWJBBLSA-N 2 2 338.499 3.499 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000344297513 456813929 /nfs/dbraw/zinc/81/39/29/456813929.db2.gz MCDRTUITBJNALF-MBPVOVBZSA-N 2 2 337.467 3.337 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000344297513 456813936 /nfs/dbraw/zinc/81/39/36/456813936.db2.gz MCDRTUITBJNALF-MBPVOVBZSA-N 2 2 337.467 3.337 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000353658049 456835707 /nfs/dbraw/zinc/83/57/07/456835707.db2.gz PCTGVIYETCLHRN-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000353658049 456835712 /nfs/dbraw/zinc/83/57/12/456835712.db2.gz PCTGVIYETCLHRN-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353704187 456862140 /nfs/dbraw/zinc/86/21/40/456862140.db2.gz ABRXNOTZENIABT-YLJYHZDGSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000353704187 456862147 /nfs/dbraw/zinc/86/21/47/456862147.db2.gz ABRXNOTZENIABT-YLJYHZDGSA-N 2 2 332.451 3.209 20 0 EGADLP CCc1oc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948139 456868680 /nfs/dbraw/zinc/86/86/80/456868680.db2.gz MCMNBUZHKFCQFU-RDTXWAMCSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948139 456868688 /nfs/dbraw/zinc/86/86/88/456868688.db2.gz MCMNBUZHKFCQFU-RDTXWAMCSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948139 456868694 /nfs/dbraw/zinc/86/86/94/456868694.db2.gz MCMNBUZHKFCQFU-RDTXWAMCSA-N 2 2 346.471 3.077 20 0 EGADLP C[C@H]1CCC[C@@](C[NH2+]C2CCN(Cc3ccccn3)CC2)([NH+](C)C)C1 ZINC000341512391 456872129 /nfs/dbraw/zinc/87/21/29/456872129.db2.gz SHXHJQJMYZDLKO-GHTZIAJQSA-N 2 2 344.547 3.146 20 0 EGADLP c1cn(Cc2ccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)nc2)c[nH+]1 ZINC000348838734 456878849 /nfs/dbraw/zinc/87/88/49/456878849.db2.gz QLONQTRPWZAGLK-HXUWFJFHSA-N 2 2 347.466 3.403 20 0 EGADLP c1cn(Cc2ccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2)c[nH+]1 ZINC000348838734 456878852 /nfs/dbraw/zinc/87/88/52/456878852.db2.gz QLONQTRPWZAGLK-HXUWFJFHSA-N 2 2 347.466 3.403 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c[nH+]1 ZINC000338961359 456879105 /nfs/dbraw/zinc/87/91/05/456879105.db2.gz ABKMEZVXEMSRRJ-SFHVURJKSA-N 2 2 341.455 3.058 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c[nH+]1 ZINC000338961359 456879108 /nfs/dbraw/zinc/87/91/08/456879108.db2.gz ABKMEZVXEMSRRJ-SFHVURJKSA-N 2 2 341.455 3.058 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H]3CCOC4(CCSCC4)C3)c[nH+]c12 ZINC000344980273 456886155 /nfs/dbraw/zinc/88/61/55/456886155.db2.gz HRURMWQKUANTHD-HNNXBMFYSA-N 2 2 331.485 3.177 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H]3CCOC4(CCSCC4)C3)c[nH+]c12 ZINC000344980277 456886314 /nfs/dbraw/zinc/88/63/14/456886314.db2.gz HRURMWQKUANTHD-OAHLLOKOSA-N 2 2 331.485 3.177 20 0 EGADLP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574083 456910283 /nfs/dbraw/zinc/91/02/83/456910283.db2.gz JOWMFONNRSMGAT-FRQCXROJSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574083 456910287 /nfs/dbraw/zinc/91/02/87/456910287.db2.gz JOWMFONNRSMGAT-FRQCXROJSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[NH+]1C[C@H](c1noc([C@@H]3CCC[N@@H+]3C3CCCC3)n1)OC2 ZINC000329574083 456910290 /nfs/dbraw/zinc/91/02/90/456910290.db2.gz JOWMFONNRSMGAT-FRQCXROJSA-N 2 2 346.475 3.075 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)[C@@H](C)C1 ZINC000339053150 456917470 /nfs/dbraw/zinc/91/74/70/456917470.db2.gz VCJCYFPPYIECEM-JXFKEZNVSA-N 2 2 337.467 3.369 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)[C@@H](C)C1 ZINC000339053150 456917474 /nfs/dbraw/zinc/91/74/74/456917474.db2.gz VCJCYFPPYIECEM-JXFKEZNVSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1ccn2c(CN(Cc3ccco3)C3CC[NH+](C)CC3)c[nH+]c2c1 ZINC000349243576 456921470 /nfs/dbraw/zinc/92/14/70/456921470.db2.gz NISSDLBYJVXCDK-UHFFFAOYSA-N 2 2 338.455 3.332 20 0 EGADLP CC(C)CCn1cccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349303897 456937522 /nfs/dbraw/zinc/93/75/22/456937522.db2.gz ZJYWMLHPJOPHHJ-LJQANCHMSA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349303897 456937525 /nfs/dbraw/zinc/93/75/25/456937525.db2.gz ZJYWMLHPJOPHHJ-LJQANCHMSA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349303897 456937528 /nfs/dbraw/zinc/93/75/28/456937528.db2.gz ZJYWMLHPJOPHHJ-LJQANCHMSA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349303897 456937531 /nfs/dbraw/zinc/93/75/31/456937531.db2.gz ZJYWMLHPJOPHHJ-LJQANCHMSA-N 2 2 346.563 3.135 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101999 456941378 /nfs/dbraw/zinc/94/13/78/456941378.db2.gz IKBLTMWGMLRUJG-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101999 456941382 /nfs/dbraw/zinc/94/13/82/456941382.db2.gz IKBLTMWGMLRUJG-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101999 456941384 /nfs/dbraw/zinc/94/13/84/456941384.db2.gz IKBLTMWGMLRUJG-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CCC2(OC)CCC2)[C@H]1c1cnn(C)c1 ZINC000339101999 456941389 /nfs/dbraw/zinc/94/13/89/456941389.db2.gz IKBLTMWGMLRUJG-MJGOQNOKSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945556 /nfs/dbraw/zinc/94/55/56/456945556.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 3 2 347.547 3.016 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945562 /nfs/dbraw/zinc/94/55/62/456945562.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 3 2 347.547 3.016 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H](CC[N@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945565 /nfs/dbraw/zinc/94/55/65/456945565.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 3 2 347.547 3.016 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H](CC[N@@H+](C)CCOC)c2ccccc2)[C@@H](C)C1 ZINC000345155693 456945569 /nfs/dbraw/zinc/94/55/69/456945569.db2.gz CTFJDFGVRLDDJY-JBACZVJFSA-N 3 2 347.547 3.016 20 0 EGADLP Cn1cnc2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)ccc21 ZINC000349360871 456952104 /nfs/dbraw/zinc/95/21/04/456952104.db2.gz AZIATCFVPLSESK-UHFFFAOYSA-N 2 2 337.471 3.462 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000353948362 456975983 /nfs/dbraw/zinc/97/59/83/456975983.db2.gz UGQNHUJGDPJGQZ-AAEUAGOBSA-N 2 2 332.366 3.024 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000353948362 456975987 /nfs/dbraw/zinc/97/59/87/456975987.db2.gz UGQNHUJGDPJGQZ-AAEUAGOBSA-N 2 2 332.366 3.024 20 0 EGADLP COC1CCC(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000349717006 457024347 /nfs/dbraw/zinc/02/43/47/457024347.db2.gz BNNXTFVRWOXTQV-UHFFFAOYSA-N 2 2 331.504 3.231 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000354098355 457060735 /nfs/dbraw/zinc/06/07/35/457060735.db2.gz WPLKJEREAOOOTA-OAHLLOKOSA-N 2 2 332.879 3.151 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000354098355 457060741 /nfs/dbraw/zinc/06/07/41/457060741.db2.gz WPLKJEREAOOOTA-OAHLLOKOSA-N 2 2 332.879 3.151 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000342090769 457103325 /nfs/dbraw/zinc/10/33/25/457103325.db2.gz BWOYFHYVWNQXNE-MPTYRVRUSA-N 2 2 349.906 3.343 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1 ZINC000342090769 457103328 /nfs/dbraw/zinc/10/33/28/457103328.db2.gz BWOYFHYVWNQXNE-MPTYRVRUSA-N 2 2 349.906 3.343 20 0 EGADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)c1nnc2n1CCCCC2 ZINC000354188320 457118482 /nfs/dbraw/zinc/11/84/82/457118482.db2.gz JHKKDYRCMSMXRX-KRWDZBQOSA-N 2 2 327.476 3.381 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339440179 457119724 /nfs/dbraw/zinc/11/97/24/457119724.db2.gz NFNGYYDIPQCGGZ-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339440179 457119727 /nfs/dbraw/zinc/11/97/27/457119727.db2.gz NFNGYYDIPQCGGZ-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339440179 457119729 /nfs/dbraw/zinc/11/97/29/457119729.db2.gz NFNGYYDIPQCGGZ-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339440179 457119732 /nfs/dbraw/zinc/11/97/32/457119732.db2.gz NFNGYYDIPQCGGZ-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]21 ZINC000342127162 457123151 /nfs/dbraw/zinc/12/31/51/457123151.db2.gz LUTLUPSTFNEKTF-YTQUADARSA-N 2 2 341.524 3.488 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@@H]21 ZINC000342127162 457123157 /nfs/dbraw/zinc/12/31/57/457123157.db2.gz LUTLUPSTFNEKTF-YTQUADARSA-N 2 2 341.524 3.488 20 0 EGADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000359910351 457143435 /nfs/dbraw/zinc/14/34/35/457143435.db2.gz JGGDWJFNKLYOHF-GFCCVEGCSA-N 2 2 349.219 3.220 20 0 EGADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)[C@H](C[NH3+])C1CC1 ZINC000359910351 457143430 /nfs/dbraw/zinc/14/34/30/457143430.db2.gz JGGDWJFNKLYOHF-GFCCVEGCSA-N 2 2 349.219 3.220 20 0 EGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000359920199 457149366 /nfs/dbraw/zinc/14/93/66/457149366.db2.gz YGWRMHIKHIHRJL-IRXDYDNUSA-N 2 2 349.523 3.260 20 0 EGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000359920199 457149367 /nfs/dbraw/zinc/14/93/67/457149367.db2.gz YGWRMHIKHIHRJL-IRXDYDNUSA-N 2 2 349.523 3.260 20 0 EGADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC(C)(C)C1 ZINC000356795195 457170735 /nfs/dbraw/zinc/17/07/35/457170735.db2.gz XOWAGKFQNSYOKG-KZNAEPCWSA-N 2 2 349.563 3.076 20 0 EGADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC(C)(C)C1 ZINC000356795195 457170740 /nfs/dbraw/zinc/17/07/40/457170740.db2.gz XOWAGKFQNSYOKG-KZNAEPCWSA-N 2 2 349.563 3.076 20 0 EGADLP OC[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1Cl ZINC000342270814 457201773 /nfs/dbraw/zinc/20/17/73/457201773.db2.gz BYGPSCISQUTRTQ-CYBMUJFWSA-N 2 2 347.871 3.453 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000342280817 457209558 /nfs/dbraw/zinc/20/95/58/457209558.db2.gz AZGYNWSMBXODKO-HNAYVOBHSA-N 2 2 335.455 3.019 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000342280817 457209561 /nfs/dbraw/zinc/20/95/61/457209561.db2.gz AZGYNWSMBXODKO-HNAYVOBHSA-N 2 2 335.455 3.019 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347094061 457225795 /nfs/dbraw/zinc/22/57/95/457225795.db2.gz HOVCJULLBSUQOE-ZDUSSCGKSA-N 2 2 341.293 3.409 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347094061 457225802 /nfs/dbraw/zinc/22/58/02/457225802.db2.gz HOVCJULLBSUQOE-ZDUSSCGKSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(F)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000360058163 457230390 /nfs/dbraw/zinc/23/03/90/457230390.db2.gz WNYDFZDYOMAXMN-ZDUSSCGKSA-N 2 2 347.434 3.269 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347127321 457244498 /nfs/dbraw/zinc/24/44/98/457244498.db2.gz VTNHXVYBDKFUHX-IRLDBZIGSA-N 2 2 348.446 3.292 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347127321 457244504 /nfs/dbraw/zinc/24/45/04/457244504.db2.gz VTNHXVYBDKFUHX-IRLDBZIGSA-N 2 2 348.446 3.292 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347127320 457244570 /nfs/dbraw/zinc/24/45/70/457244570.db2.gz VTNHXVYBDKFUHX-IFMALSPDSA-N 2 2 348.446 3.292 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347127320 457244572 /nfs/dbraw/zinc/24/45/72/457244572.db2.gz VTNHXVYBDKFUHX-IFMALSPDSA-N 2 2 348.446 3.292 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(F)c1 ZINC000356976635 457253300 /nfs/dbraw/zinc/25/33/00/457253300.db2.gz IWGZCWBOXBSGTL-SFHVURJKSA-N 2 2 339.418 3.135 20 0 EGADLP CC(C)[NH+](CCN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)C(C)C ZINC000357003628 457268790 /nfs/dbraw/zinc/26/87/90/457268790.db2.gz ZNKVSVQCAKDYDT-GOSISDBHSA-N 2 2 332.467 3.357 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390040 457275309 /nfs/dbraw/zinc/27/53/09/457275309.db2.gz UROVFIBBCVKHOG-KSSFIOAISA-N 2 2 348.537 3.212 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390040 457275314 /nfs/dbraw/zinc/27/53/14/457275314.db2.gz UROVFIBBCVKHOG-KSSFIOAISA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390040 457275317 /nfs/dbraw/zinc/27/53/17/457275317.db2.gz UROVFIBBCVKHOG-KSSFIOAISA-N 2 2 348.537 3.212 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1)C1CC1 ZINC000351390040 457275320 /nfs/dbraw/zinc/27/53/20/457275320.db2.gz UROVFIBBCVKHOG-KSSFIOAISA-N 2 2 348.537 3.212 20 0 EGADLP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3[nH+]ccn3C)c2)CC1 ZINC000347241852 457306978 /nfs/dbraw/zinc/30/69/78/457306978.db2.gz XGNVBPBPEGRGMG-MRXNPFEDSA-N 2 2 327.476 3.124 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848093 457308801 /nfs/dbraw/zinc/30/88/01/457308801.db2.gz SECAQLOWMIGPTQ-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848093 457308806 /nfs/dbraw/zinc/30/88/06/457308806.db2.gz SECAQLOWMIGPTQ-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000339848093 457308811 /nfs/dbraw/zinc/30/88/11/457308811.db2.gz SECAQLOWMIGPTQ-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000339848093 457308813 /nfs/dbraw/zinc/30/88/13/457308813.db2.gz SECAQLOWMIGPTQ-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360559996 457318916 /nfs/dbraw/zinc/31/89/16/457318916.db2.gz DPAPEXYTRRQVFJ-OXQOHEQNSA-N 2 2 329.488 3.131 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360559996 457318925 /nfs/dbraw/zinc/31/89/25/457318925.db2.gz DPAPEXYTRRQVFJ-OXQOHEQNSA-N 2 2 329.488 3.131 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209781 457328635 /nfs/dbraw/zinc/32/86/35/457328635.db2.gz RYOLJQCXLTWWRO-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209781 457328642 /nfs/dbraw/zinc/32/86/42/457328642.db2.gz RYOLJQCXLTWWRO-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP CC(C)c1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000354947339 457331110 /nfs/dbraw/zinc/33/11/10/457331110.db2.gz MJWMOHBNAKVHJZ-QGZVFWFLSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000354947339 457331116 /nfs/dbraw/zinc/33/11/16/457331116.db2.gz MJWMOHBNAKVHJZ-QGZVFWFLSA-N 2 2 343.515 3.051 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000355738325 457412012 /nfs/dbraw/zinc/41/20/12/457412012.db2.gz RFKVFCBEKTZFIY-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1 ZINC000355738325 457412018 /nfs/dbraw/zinc/41/20/18/457412018.db2.gz RFKVFCBEKTZFIY-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000355738325 457412023 /nfs/dbraw/zinc/41/20/23/457412023.db2.gz RFKVFCBEKTZFIY-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000355738325 457412028 /nfs/dbraw/zinc/41/20/28/457412028.db2.gz RFKVFCBEKTZFIY-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360894146 457415527 /nfs/dbraw/zinc/41/55/27/457415527.db2.gz MLUIQGCOTQTCNB-XLIONFOSSA-N 2 2 345.531 3.403 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360894146 457415536 /nfs/dbraw/zinc/41/55/36/457415536.db2.gz MLUIQGCOTQTCNB-XLIONFOSSA-N 2 2 345.531 3.403 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[C@@H]1C ZINC000352518373 457433429 /nfs/dbraw/zinc/43/34/29/457433429.db2.gz HNZYNVMWTHRLCZ-XIHRTOKZSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[C@@H]1C ZINC000352518373 457433433 /nfs/dbraw/zinc/43/34/33/457433433.db2.gz HNZYNVMWTHRLCZ-XIHRTOKZSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[C@H]1C ZINC000352518202 457433995 /nfs/dbraw/zinc/43/39/95/457433995.db2.gz HNZYNVMWTHRLCZ-CZKCSJLSSA-N 2 2 344.499 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[C@H]1C ZINC000352518202 457434000 /nfs/dbraw/zinc/43/40/00/457434000.db2.gz HNZYNVMWTHRLCZ-CZKCSJLSSA-N 2 2 344.499 3.217 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000352541429 457450365 /nfs/dbraw/zinc/45/03/65/457450365.db2.gz XRQPUSHXTSOPCE-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP Fc1ccc([C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850719 457454423 /nfs/dbraw/zinc/45/44/23/457454423.db2.gz DSNFTKSYNJBRKS-SJLPKXTDSA-N 2 2 328.435 3.245 20 0 EGADLP Fc1ccc([C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850719 457454427 /nfs/dbraw/zinc/45/44/27/457454427.db2.gz DSNFTKSYNJBRKS-SJLPKXTDSA-N 2 2 328.435 3.245 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000395014023 457474721 /nfs/dbraw/zinc/47/47/21/457474721.db2.gz MZXDJWOKNRVDML-CHWSQXEVSA-N 2 2 327.241 3.305 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134589 457476896 /nfs/dbraw/zinc/47/68/96/457476896.db2.gz YOIPPJRUQRQTQM-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134589 457476903 /nfs/dbraw/zinc/47/69/03/457476903.db2.gz YOIPPJRUQRQTQM-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134589 457476911 /nfs/dbraw/zinc/47/69/11/457476911.db2.gz YOIPPJRUQRQTQM-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000356134589 457476915 /nfs/dbraw/zinc/47/69/15/457476915.db2.gz YOIPPJRUQRQTQM-BBRMVZONSA-N 2 2 328.378 3.327 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352672724 457519218 /nfs/dbraw/zinc/51/92/18/457519218.db2.gz AFGMVZYACZPMNC-MPGHIAIKSA-N 2 2 344.503 3.492 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352672724 457519224 /nfs/dbraw/zinc/51/92/24/457519224.db2.gz AFGMVZYACZPMNC-MPGHIAIKSA-N 2 2 344.503 3.492 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)n1C ZINC000425369100 457523827 /nfs/dbraw/zinc/52/38/27/457523827.db2.gz LDZYKPCRZPRFQS-UHFFFAOYSA-N 2 2 338.377 3.104 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000342782583 457524247 /nfs/dbraw/zinc/52/42/47/457524247.db2.gz NWVQHBHYLAUWLY-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1C ZINC000342805689 457537049 /nfs/dbraw/zinc/53/70/49/457537049.db2.gz HIRRESSFXPPIEC-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1C ZINC000342805689 457537055 /nfs/dbraw/zinc/53/70/55/457537055.db2.gz HIRRESSFXPPIEC-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP COC(=O)[C@H](CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421672 457546397 /nfs/dbraw/zinc/54/63/97/457546397.db2.gz OFQMGMCHXPHXGC-UHOSZYNNSA-N 2 2 341.455 3.113 20 0 EGADLP COC(=O)[C@H](CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000425421672 457546400 /nfs/dbraw/zinc/54/64/00/457546400.db2.gz OFQMGMCHXPHXGC-UHOSZYNNSA-N 2 2 341.455 3.113 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073837 457564752 /nfs/dbraw/zinc/56/47/52/457564752.db2.gz NMCRAPLOAHWVOI-IRXDYDNUSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744932 457576598 /nfs/dbraw/zinc/57/65/98/457576598.db2.gz FYXJTYYLNPZOBZ-BMIGLBTASA-N 2 2 327.241 3.161 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744932 457576604 /nfs/dbraw/zinc/57/66/04/457576604.db2.gz FYXJTYYLNPZOBZ-BMIGLBTASA-N 2 2 327.241 3.161 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1F)CCC2 ZINC000374541735 457655013 /nfs/dbraw/zinc/65/50/13/457655013.db2.gz PQFOJFOMJNNVOE-CQSZACIVSA-N 2 2 339.418 3.388 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000370649457 457691277 /nfs/dbraw/zinc/69/12/77/457691277.db2.gz DSDJEOMMPMGAJR-LJQANCHMSA-N 2 2 343.515 3.156 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000370649457 457691278 /nfs/dbraw/zinc/69/12/78/457691278.db2.gz DSDJEOMMPMGAJR-LJQANCHMSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1ccc3c(c1)OCO3)CCC2 ZINC000370683020 457699720 /nfs/dbraw/zinc/69/97/20/457699720.db2.gz SSRKUHPUVIUOKU-YOEHRIQHSA-N 2 2 341.455 3.409 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000361372924 457709531 /nfs/dbraw/zinc/70/95/31/457709531.db2.gz AOZNFZWIKLHNPJ-IBGZPJMESA-N 2 2 333.451 3.311 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@@](F)(CO)C1 ZINC000361372924 457709535 /nfs/dbraw/zinc/70/95/35/457709535.db2.gz AOZNFZWIKLHNPJ-IBGZPJMESA-N 2 2 333.451 3.311 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000357891287 457725147 /nfs/dbraw/zinc/72/51/47/457725147.db2.gz BQTKYZOEWIMFCJ-OAHLLOKOSA-N 2 2 343.475 3.422 20 0 EGADLP OC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OC(F)(F)F ZINC000361471821 457743708 /nfs/dbraw/zinc/74/37/08/457743708.db2.gz VBVWIHHTXPMOGW-OAHLLOKOSA-N 2 2 346.393 3.084 20 0 EGADLP Cn1c(NCc2ccc(N3CCCCC3)[nH+]c2)[nH+]c2cccc(F)c21 ZINC000443507627 457771616 /nfs/dbraw/zinc/77/16/16/457771616.db2.gz IGHJXPFFGOPANN-UHFFFAOYSA-N 2 2 339.418 3.132 20 0 EGADLP CCC(CC)[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1CC)[NH+]1CCCC1 ZINC000457634031 457773272 /nfs/dbraw/zinc/77/32/72/457773272.db2.gz ZKXNXOPTUVQMRV-WBVHZDCISA-N 2 2 349.523 3.164 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000371204799 457825662 /nfs/dbraw/zinc/82/56/62/457825662.db2.gz KDZGLFAPEDIXMI-FQEVSTJZSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000371204799 457825668 /nfs/dbraw/zinc/82/56/68/457825668.db2.gz KDZGLFAPEDIXMI-FQEVSTJZSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762294 457843071 /nfs/dbraw/zinc/84/30/71/457843071.db2.gz AVRFQKWYWLBHDW-HEHGZKQESA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762294 457843075 /nfs/dbraw/zinc/84/30/75/457843075.db2.gz AVRFQKWYWLBHDW-HEHGZKQESA-N 2 2 347.894 3.362 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000358196831 457852605 /nfs/dbraw/zinc/85/26/05/457852605.db2.gz FBAQULGLMUSUKV-FQEVSTJZSA-N 2 2 343.446 3.162 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1C(F)(F)F ZINC000371294724 457852814 /nfs/dbraw/zinc/85/28/14/457852814.db2.gz MRZKURDQSIRQRM-PVAVHDDUSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C(F)(F)F ZINC000371294724 457852816 /nfs/dbraw/zinc/85/28/16/457852816.db2.gz MRZKURDQSIRQRM-PVAVHDDUSA-N 2 2 342.405 3.389 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000358195101 457853177 /nfs/dbraw/zinc/85/31/77/457853177.db2.gz BWXCNRSQRNJEKJ-HXUWFJFHSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444207798 457866864 /nfs/dbraw/zinc/86/68/64/457866864.db2.gz WMRSTCAVUBOOEA-CXQPBAHBSA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444207798 457866869 /nfs/dbraw/zinc/86/68/69/457866869.db2.gz WMRSTCAVUBOOEA-CXQPBAHBSA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358238187 457878272 /nfs/dbraw/zinc/87/82/72/457878272.db2.gz MKKQIGKLVCQSBI-JYBIWHBTSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358238187 457878275 /nfs/dbraw/zinc/87/82/75/457878275.db2.gz MKKQIGKLVCQSBI-JYBIWHBTSA-N 2 2 345.531 3.475 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2F)[C@H](C)C1 ZINC000358291288 457914388 /nfs/dbraw/zinc/91/43/88/457914388.db2.gz TWNHMTHIIOMNQI-BEFAXECRSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2F)[C@H](C)C1 ZINC000358291288 457914393 /nfs/dbraw/zinc/91/43/93/457914393.db2.gz TWNHMTHIIOMNQI-BEFAXECRSA-N 2 2 338.467 3.061 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccco1 ZINC000458084245 457926636 /nfs/dbraw/zinc/92/66/36/457926636.db2.gz YNCDDTTVQUVIFP-QGZVFWFLSA-N 2 2 344.459 3.174 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000444664704 457930751 /nfs/dbraw/zinc/93/07/51/457930751.db2.gz OIYOSLLFVCBNTM-UHFFFAOYSA-N 2 2 338.480 3.471 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427129031 457947376 /nfs/dbraw/zinc/94/73/76/457947376.db2.gz SMJBFYOEGMJZGY-FPOVZHCZSA-N 2 2 338.499 3.040 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427129031 457947385 /nfs/dbraw/zinc/94/73/85/457947385.db2.gz SMJBFYOEGMJZGY-FPOVZHCZSA-N 2 2 338.499 3.040 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000411720368 457962027 /nfs/dbraw/zinc/96/20/27/457962027.db2.gz PNENANMLRQOCQD-IQOKHDRSSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000411720368 457962036 /nfs/dbraw/zinc/96/20/36/457962036.db2.gz PNENANMLRQOCQD-IQOKHDRSSA-N 2 2 348.556 3.404 20 0 EGADLP C[C@H](O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000411830079 457989146 /nfs/dbraw/zinc/98/91/46/457989146.db2.gz YSVDLYOSYRIYQP-ORYQWCPZSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000411830079 457989150 /nfs/dbraw/zinc/98/91/50/457989150.db2.gz YSVDLYOSYRIYQP-ORYQWCPZSA-N 2 2 342.458 3.154 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000427877266 458046341 /nfs/dbraw/zinc/04/63/41/458046341.db2.gz SKFWTYMPPPIKNU-GOEBONIOSA-N 2 2 329.444 3.346 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ncc(Br)cc1F ZINC000368752337 458055605 /nfs/dbraw/zinc/05/56/05/458055605.db2.gz BKQUIPMESYBPKD-WCFLWFBJSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ncc(Br)cc1F ZINC000368752337 458055610 /nfs/dbraw/zinc/05/56/10/458055610.db2.gz BKQUIPMESYBPKD-WCFLWFBJSA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031591 458069290 /nfs/dbraw/zinc/06/92/90/458069290.db2.gz LSLLMNSRPOCTFN-KPFFTGBYSA-N 2 2 349.478 3.364 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031591 458069294 /nfs/dbraw/zinc/06/92/94/458069294.db2.gz LSLLMNSRPOCTFN-KPFFTGBYSA-N 2 2 349.478 3.364 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C[C@@H](C)O1 ZINC000375800594 458070757 /nfs/dbraw/zinc/07/07/57/458070757.db2.gz BYUVHTYFYVGNDQ-NUJGCVRESA-N 2 2 334.508 3.120 20 0 EGADLP C[C@@H]1CN(Cc2cc(F)ccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000445805636 458091925 /nfs/dbraw/zinc/09/19/25/458091925.db2.gz MUSRTDOUNANUPY-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2cc(F)ccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000445805636 458091928 /nfs/dbraw/zinc/09/19/28/458091928.db2.gz MUSRTDOUNANUPY-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1cccnc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362342317 458115568 /nfs/dbraw/zinc/11/55/68/458115568.db2.gz QLVYWZZLDGMODS-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1cccnc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362342317 458115570 /nfs/dbraw/zinc/11/55/70/458115570.db2.gz QLVYWZZLDGMODS-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCC([NH3+])CC1 ZINC000435378216 458128910 /nfs/dbraw/zinc/12/89/10/458128910.db2.gz HJDQQXXGJPTHPA-UHFFFAOYSA-N 2 2 326.488 3.152 20 0 EGADLP Cc1cc(C[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ncn1 ZINC000428428500 458139433 /nfs/dbraw/zinc/13/94/33/458139433.db2.gz XNIKZDMQLUOJQC-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1cc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)ncn1 ZINC000428428500 458139441 /nfs/dbraw/zinc/13/94/41/458139441.db2.gz XNIKZDMQLUOJQC-HXUWFJFHSA-N 2 2 338.499 3.348 20 0 EGADLP Cc1nc(C)c(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)s1 ZINC000435438820 458147781 /nfs/dbraw/zinc/14/77/81/458147781.db2.gz RQZKLBCIKMOSFE-AWEZNQCLSA-N 2 2 336.530 3.137 20 0 EGADLP Cc1nc(C)c(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)s1 ZINC000435438820 458147786 /nfs/dbraw/zinc/14/77/86/458147786.db2.gz RQZKLBCIKMOSFE-AWEZNQCLSA-N 2 2 336.530 3.137 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000369351227 458183096 /nfs/dbraw/zinc/18/30/96/458183096.db2.gz AQNOCPFRCSVPDE-QGZVFWFLSA-N 2 2 339.443 3.003 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000369351227 458183114 /nfs/dbraw/zinc/18/31/14/458183114.db2.gz AQNOCPFRCSVPDE-QGZVFWFLSA-N 2 2 339.443 3.003 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1)Cn1cc[nH+]c1 ZINC000435786888 458204779 /nfs/dbraw/zinc/20/47/79/458204779.db2.gz WWQSKWSVBIHQEH-KRWDZBQOSA-N 2 2 335.455 3.472 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000435884986 458217864 /nfs/dbraw/zinc/21/78/64/458217864.db2.gz ZIGSWMFIDXYACY-LJQANCHMSA-N 2 2 346.496 3.322 20 0 EGADLP C[NH2+]CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000435884986 458217871 /nfs/dbraw/zinc/21/78/71/458217871.db2.gz ZIGSWMFIDXYACY-LJQANCHMSA-N 2 2 346.496 3.322 20 0 EGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000376229992 458242673 /nfs/dbraw/zinc/24/26/73/458242673.db2.gz ZCFXQUHNNNAGNW-INIZCTEOSA-N 2 2 349.519 3.467 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330233 458279022 /nfs/dbraw/zinc/27/90/22/458279022.db2.gz FQPRYQYWXLEOEO-FPOVZHCZSA-N 2 2 329.532 3.070 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000372330233 458279025 /nfs/dbraw/zinc/27/90/25/458279025.db2.gz FQPRYQYWXLEOEO-FPOVZHCZSA-N 2 2 329.532 3.070 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000369627913 458294757 /nfs/dbraw/zinc/29/47/57/458294757.db2.gz DPSRUCYIELCSLX-IRXDYDNUSA-N 2 2 327.476 3.323 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000447428880 458296809 /nfs/dbraw/zinc/29/68/09/458296809.db2.gz QZOMXERYOUNBQS-UHFFFAOYSA-N 2 2 326.425 3.452 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000436414897 458302357 /nfs/dbraw/zinc/30/23/57/458302357.db2.gz RRVZQGMFLBIMJQ-XIKOKIGWSA-N 2 2 328.391 3.050 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)CCC2 ZINC000447518010 458303625 /nfs/dbraw/zinc/30/36/25/458303625.db2.gz MTDQVNWEMGENRL-CABCVRRESA-N 2 2 334.460 3.216 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)CCC2 ZINC000447518010 458303631 /nfs/dbraw/zinc/30/36/31/458303631.db2.gz MTDQVNWEMGENRL-CABCVRRESA-N 2 2 334.460 3.216 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(-c2cccs2)n1 ZINC000369683818 458315740 /nfs/dbraw/zinc/31/57/40/458315740.db2.gz PJPKAHZAWXFATG-AWEZNQCLSA-N 2 2 341.484 3.262 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(-c2cccs2)n1 ZINC000369683818 458315745 /nfs/dbraw/zinc/31/57/45/458315745.db2.gz PJPKAHZAWXFATG-AWEZNQCLSA-N 2 2 341.484 3.262 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000447728065 458334442 /nfs/dbraw/zinc/33/44/42/458334442.db2.gz KMBLEPLZFCSQCD-QFBILLFUSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000447728065 458334445 /nfs/dbraw/zinc/33/44/45/458334445.db2.gz KMBLEPLZFCSQCD-QFBILLFUSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000447728067 458335077 /nfs/dbraw/zinc/33/50/77/458335077.db2.gz KMBLEPLZFCSQCD-VQIMIIECSA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000447728067 458335081 /nfs/dbraw/zinc/33/50/81/458335081.db2.gz KMBLEPLZFCSQCD-VQIMIIECSA-N 2 2 335.923 3.106 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000459360024 458343617 /nfs/dbraw/zinc/34/36/17/458343617.db2.gz DFWRZYPTBFRCFS-JOCHJYFZSA-N 2 2 336.479 3.073 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000459360024 458343623 /nfs/dbraw/zinc/34/36/23/458343623.db2.gz DFWRZYPTBFRCFS-JOCHJYFZSA-N 2 2 336.479 3.073 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429556865 458343816 /nfs/dbraw/zinc/34/38/16/458343816.db2.gz ZDHHZWYWUNPLCC-LJQANCHMSA-N 2 2 339.568 3.323 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429556865 458343820 /nfs/dbraw/zinc/34/38/20/458343820.db2.gz ZDHHZWYWUNPLCC-LJQANCHMSA-N 2 2 339.568 3.323 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000459376098 458349989 /nfs/dbraw/zinc/34/99/89/458349989.db2.gz ZUIMXEQWVANFJQ-CRAIPNDOSA-N 2 2 349.438 3.129 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000459376098 458349991 /nfs/dbraw/zinc/34/99/91/458349991.db2.gz ZUIMXEQWVANFJQ-CRAIPNDOSA-N 2 2 349.438 3.129 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(OC(F)F)c1 ZINC000376714882 458374224 /nfs/dbraw/zinc/37/42/24/458374224.db2.gz HPHHDIZBCZUQRL-UHFFFAOYSA-N 2 2 337.370 3.119 20 0 EGADLP CCOc1c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)nn1CC(C)C ZINC000376727616 458377475 /nfs/dbraw/zinc/37/74/75/458377475.db2.gz FJNJAJLXSOTHQT-UHFFFAOYSA-N 2 2 345.491 3.069 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448034113 458382860 /nfs/dbraw/zinc/38/28/60/458382860.db2.gz ZTSZPBNREFGQBU-YOEHRIQHSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448034113 458382864 /nfs/dbraw/zinc/38/28/64/458382864.db2.gz ZTSZPBNREFGQBU-YOEHRIQHSA-N 2 2 335.467 3.253 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cnc(C3CC3)nc2)CC1 ZINC000459551495 458408642 /nfs/dbraw/zinc/40/86/42/458408642.db2.gz ONIDVKUWLIYTBX-UHFFFAOYSA-N 2 2 336.483 3.450 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cnc(C3CC3)nc2)CC1 ZINC000459551495 458408647 /nfs/dbraw/zinc/40/86/47/458408647.db2.gz ONIDVKUWLIYTBX-UHFFFAOYSA-N 2 2 336.483 3.450 20 0 EGADLP Fc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2Cl)cc1 ZINC000423514004 458446981 /nfs/dbraw/zinc/44/69/81/458446981.db2.gz CRNXHYOGRDNTOR-APWZRJJASA-N 2 2 348.849 3.341 20 0 EGADLP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423531948 458453502 /nfs/dbraw/zinc/45/35/02/458453502.db2.gz YWEANHWLSVAFDO-LAUBAEHRSA-N 2 2 340.467 3.213 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423559847 458457090 /nfs/dbraw/zinc/45/70/90/458457090.db2.gz JGBWWGYQMLQUBX-GOSISDBHSA-N 3 2 338.499 3.034 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000430553153 458459279 /nfs/dbraw/zinc/45/92/79/458459279.db2.gz CRXDTXIDPXIISA-ZBEGNZNMSA-N 2 2 346.302 3.134 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638590 458473948 /nfs/dbraw/zinc/47/39/48/458473948.db2.gz FXFFLWABIKEJDS-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638590 458473953 /nfs/dbraw/zinc/47/39/53/458473953.db2.gz FXFFLWABIKEJDS-JXFKEZNVSA-N 2 2 325.456 3.362 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CCCC[C@@H]3[C@H](C)[NH3+])n2)cc1F ZINC000430646405 458474334 /nfs/dbraw/zinc/47/43/34/458474334.db2.gz PFTBXDREUOMRDX-WMLDXEAASA-N 2 2 346.450 3.318 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@H](C)[NH3+])n2)cc1F ZINC000430646405 458474336 /nfs/dbraw/zinc/47/43/36/458474336.db2.gz PFTBXDREUOMRDX-WMLDXEAASA-N 2 2 346.450 3.318 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000373392562 458480131 /nfs/dbraw/zinc/48/01/31/458480131.db2.gz JLQMXDSAMPRIGO-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373392562 458480136 /nfs/dbraw/zinc/48/01/36/458480136.db2.gz JLQMXDSAMPRIGO-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000373392562 458480141 /nfs/dbraw/zinc/48/01/41/458480141.db2.gz JLQMXDSAMPRIGO-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373392562 458480144 /nfs/dbraw/zinc/48/01/44/458480144.db2.gz JLQMXDSAMPRIGO-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423815153 458488943 /nfs/dbraw/zinc/48/89/43/458488943.db2.gz HUFSKTGIXXAOIY-LSDHHAIUSA-N 2 2 343.496 3.287 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)ccc2n1C1CC1 ZINC000423927968 458513767 /nfs/dbraw/zinc/51/37/67/458513767.db2.gz GPNLORJZTHBWMT-HUUCEWRRSA-N 2 2 340.471 3.067 20 0 EGADLP COc1ccnc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778168 458525064 /nfs/dbraw/zinc/52/50/64/458525064.db2.gz XOIXPKYKKNKBGU-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778168 458525069 /nfs/dbraw/zinc/52/50/69/458525069.db2.gz XOIXPKYKKNKBGU-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778168 458525075 /nfs/dbraw/zinc/52/50/75/458525075.db2.gz XOIXPKYKKNKBGU-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377778168 458525080 /nfs/dbraw/zinc/52/50/80/458525080.db2.gz XOIXPKYKKNKBGU-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP [NH3+][C@@H](CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)CC1CCCCC1 ZINC000424126883 458565639 /nfs/dbraw/zinc/56/56/39/458565639.db2.gz CDLUEDXHARYVLD-SJORKVTESA-N 2 2 332.492 3.194 20 0 EGADLP Cc1cccn2cc(CNC(=O)CC[C@H]([NH3+])CC3CCCCC3)[nH+]c12 ZINC000424137835 458568249 /nfs/dbraw/zinc/56/82/49/458568249.db2.gz CNUQSJYVSYRZMN-KRWDZBQOSA-N 2 2 342.487 3.337 20 0 EGADLP C[C@@H](CCC1CC1)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000469782199 458590683 /nfs/dbraw/zinc/59/06/83/458590683.db2.gz YGIPBIBDHQVZHM-HNNXBMFYSA-N 2 2 342.487 3.428 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000493936032 458603237 /nfs/dbraw/zinc/60/32/37/458603237.db2.gz JUQVAWFPMUMZQX-OHDICMOHSA-N 2 2 343.515 3.433 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000424326432 458615783 /nfs/dbraw/zinc/61/57/83/458615783.db2.gz YIQLWAQEPKWSTH-CABCVRRESA-N 2 2 340.895 3.092 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)C[C@H]2[NH3+])cn1 ZINC000424387487 458630995 /nfs/dbraw/zinc/63/09/95/458630995.db2.gz YHCRLALNOZBYQJ-LEWJYISDSA-N 2 2 332.451 3.014 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@H]2[NH3+])cn1 ZINC000424387487 458631001 /nfs/dbraw/zinc/63/10/01/458631001.db2.gz YHCRLALNOZBYQJ-LEWJYISDSA-N 2 2 332.451 3.014 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000502282390 458644071 /nfs/dbraw/zinc/64/40/71/458644071.db2.gz ZEDDKSRVRXSTTK-IAGOWNOFSA-N 2 2 334.504 3.407 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000502282390 458644078 /nfs/dbraw/zinc/64/40/78/458644078.db2.gz ZEDDKSRVRXSTTK-IAGOWNOFSA-N 2 2 334.504 3.407 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)C1CCCCC1 ZINC000462930678 458667964 /nfs/dbraw/zinc/66/79/64/458667964.db2.gz SIYNJPXXXAZWPD-QGZVFWFLSA-N 2 2 331.508 3.389 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000470961754 458670109 /nfs/dbraw/zinc/67/01/09/458670109.db2.gz YMWADTZEIIXHBM-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000470961754 458670114 /nfs/dbraw/zinc/67/01/14/458670114.db2.gz YMWADTZEIIXHBM-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000470961754 458670119 /nfs/dbraw/zinc/67/01/19/458670119.db2.gz YMWADTZEIIXHBM-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000470961754 458670123 /nfs/dbraw/zinc/67/01/23/458670123.db2.gz YMWADTZEIIXHBM-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470999379 458674855 /nfs/dbraw/zinc/67/48/55/458674855.db2.gz UKTIIHNVXVMNNC-OYRHEFFESA-N 2 2 334.463 3.323 20 0 EGADLP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470999379 458674860 /nfs/dbraw/zinc/67/48/60/458674860.db2.gz UKTIIHNVXVMNNC-OYRHEFFESA-N 2 2 334.463 3.323 20 0 EGADLP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470999379 458674866 /nfs/dbraw/zinc/67/48/66/458674866.db2.gz UKTIIHNVXVMNNC-OYRHEFFESA-N 2 2 334.463 3.323 20 0 EGADLP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470999379 458674870 /nfs/dbraw/zinc/67/48/70/458674870.db2.gz UKTIIHNVXVMNNC-OYRHEFFESA-N 2 2 334.463 3.323 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncccc1F ZINC000530224120 458724037 /nfs/dbraw/zinc/72/40/37/458724037.db2.gz QFRPSWRGTZMVIB-URKNILKWSA-N 2 2 327.403 3.127 20 0 EGADLP C[N@H+](C/C=C\c1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000494975045 458776233 /nfs/dbraw/zinc/77/62/33/458776233.db2.gz NDIADUFULAIEAA-PLNGDYQASA-N 2 2 336.483 3.129 20 0 EGADLP C[N@@H+](C/C=C\c1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000494975045 458776238 /nfs/dbraw/zinc/77/62/38/458776238.db2.gz NDIADUFULAIEAA-PLNGDYQASA-N 2 2 336.483 3.129 20 0 EGADLP CC(C)c1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000432876419 458805008 /nfs/dbraw/zinc/80/50/08/458805008.db2.gz BCXLIDNBTWFYNC-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP CC(C)c1cc(NCCC[N@H+]2CCCO[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000432876419 458805014 /nfs/dbraw/zinc/80/50/14/458805014.db2.gz BCXLIDNBTWFYNC-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000518219125 458849547 /nfs/dbraw/zinc/84/95/47/458849547.db2.gz XUMACMZBPHVHKB-UHFFFAOYSA-N 2 2 337.471 3.329 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474265918 458872961 /nfs/dbraw/zinc/87/29/61/458872961.db2.gz JDXLDBGYJUMJJF-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474265918 458872966 /nfs/dbraw/zinc/87/29/66/458872966.db2.gz JDXLDBGYJUMJJF-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336943 458923708 /nfs/dbraw/zinc/92/37/08/458923708.db2.gz IGUVCMIJDVUAAF-WOJBJXKFSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336943 458923716 /nfs/dbraw/zinc/92/37/16/458923716.db2.gz IGUVCMIJDVUAAF-WOJBJXKFSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441336943 458923721 /nfs/dbraw/zinc/92/37/21/458923721.db2.gz IGUVCMIJDVUAAF-WOJBJXKFSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441336943 458923726 /nfs/dbraw/zinc/92/37/26/458923726.db2.gz IGUVCMIJDVUAAF-WOJBJXKFSA-N 2 2 345.531 3.450 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000475491293 458948069 /nfs/dbraw/zinc/94/80/69/458948069.db2.gz HKMXATSFJFZXOQ-OAHLLOKOSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000475491293 458948077 /nfs/dbraw/zinc/94/80/77/458948077.db2.gz HKMXATSFJFZXOQ-OAHLLOKOSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCCc2ccc(Br)cc2F)n1C ZINC000566498640 458949827 /nfs/dbraw/zinc/94/98/27/458949827.db2.gz DXZYPTTZLMXZNP-UHFFFAOYSA-N 2 2 340.240 3.353 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563056 459007447 /nfs/dbraw/zinc/00/74/47/459007447.db2.gz QNOUXZPFLDNUEZ-IBGZPJMESA-N 2 2 337.552 3.127 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563056 459007453 /nfs/dbraw/zinc/00/74/53/459007453.db2.gz QNOUXZPFLDNUEZ-IBGZPJMESA-N 2 2 337.552 3.127 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563056 459007458 /nfs/dbraw/zinc/00/74/58/459007458.db2.gz QNOUXZPFLDNUEZ-IBGZPJMESA-N 2 2 337.552 3.127 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000476563056 459007466 /nfs/dbraw/zinc/00/74/66/459007466.db2.gz QNOUXZPFLDNUEZ-IBGZPJMESA-N 2 2 337.552 3.127 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C(C3CC3)C3CC3)CC2)c1 ZINC000532199906 459045874 /nfs/dbraw/zinc/04/58/74/459045874.db2.gz UUAWDJNCFNQHHF-UHFFFAOYSA-N 2 2 327.516 3.285 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)O[C@H](C)C2 ZINC000532454883 459091834 /nfs/dbraw/zinc/09/18/34/459091834.db2.gz SSWCVMJMJXIBKR-HDMKZQKVSA-N 2 2 332.488 3.229 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)O[C@H](C)C2 ZINC000532454883 459091839 /nfs/dbraw/zinc/09/18/39/459091839.db2.gz SSWCVMJMJXIBKR-HDMKZQKVSA-N 2 2 332.488 3.229 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)n1C ZINC000577769183 459093413 /nfs/dbraw/zinc/09/34/13/459093413.db2.gz BRIPDMSZFGVCIU-OAHLLOKOSA-N 2 2 328.243 3.033 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000567526587 459120038 /nfs/dbraw/zinc/12/00/38/459120038.db2.gz ONBPEYGFWYHHJU-QZTJIDSGSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000567526587 459120043 /nfs/dbraw/zinc/12/00/43/459120043.db2.gz ONBPEYGFWYHHJU-QZTJIDSGSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000567526587 459120054 /nfs/dbraw/zinc/12/00/54/459120054.db2.gz ONBPEYGFWYHHJU-QZTJIDSGSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000567526587 459120060 /nfs/dbraw/zinc/12/00/60/459120060.db2.gz ONBPEYGFWYHHJU-QZTJIDSGSA-N 2 2 325.541 3.220 20 0 EGADLP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000521254298 459136132 /nfs/dbraw/zinc/13/61/32/459136132.db2.gz RJVAOVNSCIIXGO-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000521254298 459136137 /nfs/dbraw/zinc/13/61/37/459136137.db2.gz RJVAOVNSCIIXGO-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000521445676 459154607 /nfs/dbraw/zinc/15/46/07/459154607.db2.gz XYOYVAGHMIURBS-ZDUSSCGKSA-N 2 2 333.407 3.015 20 0 EGADLP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479943752 459173776 /nfs/dbraw/zinc/17/37/76/459173776.db2.gz XBXCLMZMZVQOML-BETUJISGSA-N 2 2 325.437 3.208 20 0 EGADLP c1cc(-c2nc3ccccc3s2)oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479943752 459173781 /nfs/dbraw/zinc/17/37/81/459173781.db2.gz XBXCLMZMZVQOML-BETUJISGSA-N 2 2 325.437 3.208 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031611 459179425 /nfs/dbraw/zinc/17/94/25/459179425.db2.gz YDEVSMNVDAATGI-XLIONFOSSA-N 2 2 334.504 3.481 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031611 459179429 /nfs/dbraw/zinc/17/94/29/459179429.db2.gz YDEVSMNVDAATGI-XLIONFOSSA-N 2 2 334.504 3.481 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C2CC2)cc1 ZINC000480274379 459191356 /nfs/dbraw/zinc/19/13/56/459191356.db2.gz MZHLLZJHLNLYQR-OPYAIIAOSA-N 2 2 330.516 3.405 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)c(OC2CCCC2)c1 ZINC000578381205 459192267 /nfs/dbraw/zinc/19/22/67/459192267.db2.gz PTBQJYGGBKWXCV-UHFFFAOYSA-N 2 2 329.444 3.348 20 0 EGADLP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000521994034 459201057 /nfs/dbraw/zinc/20/10/57/459201057.db2.gz LARSMWSFITZZBK-AWEZNQCLSA-N 2 2 326.444 3.307 20 0 EGADLP C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)[N@H+]1CCc2ccccc2C1 ZINC000521994034 459201060 /nfs/dbraw/zinc/20/10/60/459201060.db2.gz LARSMWSFITZZBK-AWEZNQCLSA-N 2 2 326.444 3.307 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000480650423 459210669 /nfs/dbraw/zinc/21/06/69/459210669.db2.gz YMLFPFOLZLTGFN-CHWSQXEVSA-N 2 2 329.282 3.500 20 0 EGADLP COC1(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000480650856 459210895 /nfs/dbraw/zinc/21/08/95/459210895.db2.gz VNFRQRNYTBGVSW-UHFFFAOYSA-N 2 2 345.531 3.138 20 0 EGADLP O=C(NCC[NH+]1CCCCCC1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000522146437 459221118 /nfs/dbraw/zinc/22/11/18/459221118.db2.gz DEVQMJMVMUHTFH-UHFFFAOYSA-N 2 2 339.439 3.480 20 0 EGADLP Cc1ccc(F)c(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000522630279 459253038 /nfs/dbraw/zinc/25/30/38/459253038.db2.gz GYSYZBIKHSPBOK-UHFFFAOYSA-N 2 2 341.474 3.436 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000568412235 459284885 /nfs/dbraw/zinc/28/48/85/459284885.db2.gz OTJWSVGRJYIIMV-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412235 459284891 /nfs/dbraw/zinc/28/48/91/459284891.db2.gz OTJWSVGRJYIIMV-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000568412235 459284900 /nfs/dbraw/zinc/28/49/00/459284900.db2.gz OTJWSVGRJYIIMV-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000568412235 459284907 /nfs/dbraw/zinc/28/49/07/459284907.db2.gz OTJWSVGRJYIIMV-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[N@H+](C)Cc1ccccc1 ZINC000534063992 459288166 /nfs/dbraw/zinc/28/81/66/459288166.db2.gz ZBTGIARCXQOTLI-AFYVEPGGSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000534063992 459288169 /nfs/dbraw/zinc/28/81/69/459288169.db2.gz ZBTGIARCXQOTLI-AFYVEPGGSA-N 2 2 328.500 3.444 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc(Cl)c1 ZINC000591082600 459310235 /nfs/dbraw/zinc/31/02/35/459310235.db2.gz RQIQTWQOMLOUAP-MRXNPFEDSA-N 2 2 332.835 3.202 20 0 EGADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc(Cl)c1 ZINC000591082600 459310238 /nfs/dbraw/zinc/31/02/38/459310238.db2.gz RQIQTWQOMLOUAP-MRXNPFEDSA-N 2 2 332.835 3.202 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)c2C1 ZINC000582555516 459385083 /nfs/dbraw/zinc/38/50/83/459385083.db2.gz OIUFJTIVNVIABA-CQSZACIVSA-N 2 2 326.444 3.199 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)c2C1 ZINC000582555516 459385090 /nfs/dbraw/zinc/38/50/90/459385090.db2.gz OIUFJTIVNVIABA-CQSZACIVSA-N 2 2 326.444 3.199 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)c2C1 ZINC000582555516 459385095 /nfs/dbraw/zinc/38/50/95/459385095.db2.gz OIUFJTIVNVIABA-CQSZACIVSA-N 2 2 326.444 3.199 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)c2C1 ZINC000582555516 459385100 /nfs/dbraw/zinc/38/51/00/459385100.db2.gz OIUFJTIVNVIABA-CQSZACIVSA-N 2 2 326.444 3.199 20 0 EGADLP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560688321 459388335 /nfs/dbraw/zinc/38/83/35/459388335.db2.gz FUBMSMZAJYTRSV-INIZCTEOSA-N 2 2 338.455 3.009 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000582606024 459393918 /nfs/dbraw/zinc/39/39/18/459393918.db2.gz DOXPOMKXPKLZGG-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000582606024 459393920 /nfs/dbraw/zinc/39/39/20/459393920.db2.gz DOXPOMKXPKLZGG-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP Cc1ccc(SCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484544972 459418176 /nfs/dbraw/zinc/41/81/76/459418176.db2.gz RBXBACKPJOUIHP-LJQANCHMSA-N 2 2 348.556 3.440 20 0 EGADLP Cc1ccc(SCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484544972 459418184 /nfs/dbraw/zinc/41/81/84/459418184.db2.gz RBXBACKPJOUIHP-LJQANCHMSA-N 2 2 348.556 3.440 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000582781288 459425965 /nfs/dbraw/zinc/42/59/65/459425965.db2.gz XQFXJQRTKFPKPV-LJQANCHMSA-N 2 2 342.483 3.260 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000561165180 459427483 /nfs/dbraw/zinc/42/74/83/459427483.db2.gz CXLBJKOQHOCWEP-UHFFFAOYSA-N 2 2 348.450 3.444 20 0 EGADLP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000485043317 459438938 /nfs/dbraw/zinc/43/89/38/459438938.db2.gz FMOKAUMYJOPKJL-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000485043317 459438943 /nfs/dbraw/zinc/43/89/43/459438943.db2.gz FMOKAUMYJOPKJL-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000582953582 459457467 /nfs/dbraw/zinc/45/74/67/459457467.db2.gz OUWZCYIOKFIENA-MRXNPFEDSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000582953582 459457468 /nfs/dbraw/zinc/45/74/68/459457468.db2.gz OUWZCYIOKFIENA-MRXNPFEDSA-N 2 2 349.438 3.073 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c2ccccc2n1 ZINC000583151686 459493084 /nfs/dbraw/zinc/49/30/84/459493084.db2.gz IFGYMOMVDDUXIV-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c2ccccc2n1 ZINC000583151686 459493092 /nfs/dbraw/zinc/49/30/92/459493092.db2.gz IFGYMOMVDDUXIV-QGZVFWFLSA-N 2 2 339.483 3.228 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000497235787 459496735 /nfs/dbraw/zinc/49/67/35/459496735.db2.gz INGOPAOSRBAARV-INMHGKMJSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000497235787 459496743 /nfs/dbraw/zinc/49/67/43/459496743.db2.gz INGOPAOSRBAARV-INMHGKMJSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508685 /nfs/dbraw/zinc/50/86/85/459508685.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508691 /nfs/dbraw/zinc/50/86/91/459508691.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508693 /nfs/dbraw/zinc/50/86/93/459508693.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000541904559 459508699 /nfs/dbraw/zinc/50/86/99/459508699.db2.gz ROLGYZFQQDINPX-RYFAJOAYSA-N 3 2 341.543 3.219 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1C ZINC000569868656 459523497 /nfs/dbraw/zinc/52/34/97/459523497.db2.gz XGCFKCPCKFYWRI-UHFFFAOYSA-N 3 2 326.488 3.250 20 0 EGADLP Cc1nnsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572845449 459585219 /nfs/dbraw/zinc/58/52/19/459585219.db2.gz SRFQAFSLACMYHW-LJQANCHMSA-N 2 2 342.512 3.335 20 0 EGADLP Cc1nnsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572845449 459585223 /nfs/dbraw/zinc/58/52/23/459585223.db2.gz SRFQAFSLACMYHW-LJQANCHMSA-N 2 2 342.512 3.335 20 0 EGADLP Cc1nnsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572845449 459585228 /nfs/dbraw/zinc/58/52/28/459585228.db2.gz SRFQAFSLACMYHW-LJQANCHMSA-N 2 2 342.512 3.335 20 0 EGADLP Cc1nnsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572845449 459585233 /nfs/dbraw/zinc/58/52/33/459585233.db2.gz SRFQAFSLACMYHW-LJQANCHMSA-N 2 2 342.512 3.335 20 0 EGADLP COC(=O)c1csc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)c1 ZINC000592402497 459595164 /nfs/dbraw/zinc/59/51/64/459595164.db2.gz ILXFCPAPDWRQLM-ZDUSSCGKSA-N 2 2 343.452 3.384 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000573140544 459632623 /nfs/dbraw/zinc/63/26/23/459632623.db2.gz UDTAZGHMKADIKI-OXQOHEQNSA-N 2 2 338.451 3.083 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000573140544 459632630 /nfs/dbraw/zinc/63/26/30/459632630.db2.gz UDTAZGHMKADIKI-OXQOHEQNSA-N 2 2 338.451 3.083 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499704484 459648026 /nfs/dbraw/zinc/64/80/26/459648026.db2.gz IBMLYWSJGJSTDG-COPCDDAFSA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499704484 459648031 /nfs/dbraw/zinc/64/80/31/459648031.db2.gz IBMLYWSJGJSTDG-COPCDDAFSA-N 2 2 338.495 3.497 20 0 EGADLP COC1CCC([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000543398895 459652371 /nfs/dbraw/zinc/65/23/71/459652371.db2.gz BFCFFZCIMMKIMG-UHFFFAOYSA-N 2 2 338.536 3.347 20 0 EGADLP COC1CCC([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000543398895 459652375 /nfs/dbraw/zinc/65/23/75/459652375.db2.gz BFCFFZCIMMKIMG-UHFFFAOYSA-N 2 2 338.536 3.347 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527638859 459680297 /nfs/dbraw/zinc/68/02/97/459680297.db2.gz NIPIEFZJKDSWBA-GASCZTMLSA-N 2 2 347.532 3.001 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527638859 459680301 /nfs/dbraw/zinc/68/03/01/459680301.db2.gz NIPIEFZJKDSWBA-GASCZTMLSA-N 2 2 347.532 3.001 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000527654034 459685581 /nfs/dbraw/zinc/68/55/81/459685581.db2.gz PLPFFMPJFZNXLF-KRWDZBQOSA-N 2 2 329.875 3.389 20 0 EGADLP Clc1cnccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000527654034 459685584 /nfs/dbraw/zinc/68/55/84/459685584.db2.gz PLPFFMPJFZNXLF-KRWDZBQOSA-N 2 2 329.875 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527671630 459693646 /nfs/dbraw/zinc/69/36/46/459693646.db2.gz XSUODXAGNMRQEV-NWDGAFQWSA-N 2 2 346.700 3.460 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544349263 459750993 /nfs/dbraw/zinc/75/09/93/459750993.db2.gz WUMBOLXXKHQKJT-VXKWHMMOSA-N 2 2 338.495 3.234 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544349263 459750997 /nfs/dbraw/zinc/75/09/97/459750997.db2.gz WUMBOLXXKHQKJT-VXKWHMMOSA-N 2 2 338.495 3.234 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000573910997 459754737 /nfs/dbraw/zinc/75/47/37/459754737.db2.gz XRNSJJWCTSRQOS-WQDJSCAQSA-N 2 2 332.488 3.378 20 0 EGADLP COc1ccc[nH+]c1NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000527842893 459755102 /nfs/dbraw/zinc/75/51/02/459755102.db2.gz MAFLAUIIBPXUMA-HZPDHXFCSA-N 2 2 341.455 3.312 20 0 EGADLP c1c(CCNc2[nH+]cnc3[nH]c4ccccc4c32)[nH+]c2n1CCCC2 ZINC000584510420 459757781 /nfs/dbraw/zinc/75/77/81/459757781.db2.gz SJQTXSYWNDGCQF-UHFFFAOYSA-N 2 2 332.411 3.299 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574003846 459767587 /nfs/dbraw/zinc/76/75/87/459767587.db2.gz CZYWERKNUHPLIS-KDOFPFPSSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000574003846 459767590 /nfs/dbraw/zinc/76/75/90/459767590.db2.gz CZYWERKNUHPLIS-KDOFPFPSSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2[nH+]ccn21 ZINC000584573526 459769818 /nfs/dbraw/zinc/76/98/18/459769818.db2.gz DZTYXSPYXIAKJA-DQYPLSBCSA-N 2 2 339.443 3.260 20 0 EGADLP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCc3occc32)c2ccccc2)CC1 ZINC000566080184 459802497 /nfs/dbraw/zinc/80/24/97/459802497.db2.gz IDUFJSRRGDSTAY-WOJBJXKFSA-N 2 2 339.483 3.235 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566229857 459826370 /nfs/dbraw/zinc/82/63/70/459826370.db2.gz PIVVCZRQLVJVPM-SJORKVTESA-N 2 2 338.499 3.211 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566229857 459826376 /nfs/dbraw/zinc/82/63/76/459826376.db2.gz PIVVCZRQLVJVPM-SJORKVTESA-N 2 2 338.499 3.211 20 0 EGADLP CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000597149664 459851005 /nfs/dbraw/zinc/85/10/05/459851005.db2.gz GXQVSQWXQVYSDE-HNNXBMFYSA-N 2 2 333.476 3.163 20 0 EGADLP COC(=O)c1csc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000602525766 459984031 /nfs/dbraw/zinc/98/40/31/459984031.db2.gz CEJQFZQNOVEULT-UHFFFAOYSA-N 2 2 329.425 3.133 20 0 EGADLP Cc1nccnc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000621716177 460022571 /nfs/dbraw/zinc/02/25/71/460022571.db2.gz UUVHVPCSQYKYBY-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1nccnc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000621716177 460022575 /nfs/dbraw/zinc/02/25/75/460022575.db2.gz UUVHVPCSQYKYBY-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000621716177 460022579 /nfs/dbraw/zinc/02/25/79/460022579.db2.gz UUVHVPCSQYKYBY-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1nccnc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000621716177 460022584 /nfs/dbraw/zinc/02/25/84/460022584.db2.gz UUVHVPCSQYKYBY-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000589165789 460044019 /nfs/dbraw/zinc/04/40/19/460044019.db2.gz HMALXHLVMSJPJO-FQEVSTJZSA-N 2 2 340.467 3.429 20 0 EGADLP CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000589165789 460044027 /nfs/dbraw/zinc/04/40/27/460044027.db2.gz HMALXHLVMSJPJO-FQEVSTJZSA-N 2 2 340.467 3.429 20 0 EGADLP CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000594045866 460072421 /nfs/dbraw/zinc/07/24/21/460072421.db2.gz LREDQYAGDNWMTM-SFHVURJKSA-N 2 2 329.444 3.328 20 0 EGADLP Cc1c[nH+]ccc1CC[N@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000576223851 460094284 /nfs/dbraw/zinc/09/42/84/460094284.db2.gz QWTICHIMBRUOGK-UHFFFAOYSA-N 2 2 348.487 3.145 20 0 EGADLP Cc1c[nH+]ccc1CC[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000576223851 460094292 /nfs/dbraw/zinc/09/42/92/460094292.db2.gz QWTICHIMBRUOGK-UHFFFAOYSA-N 2 2 348.487 3.145 20 0 EGADLP CCOC(=O)C(CC)(CC)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000602736599 460097798 /nfs/dbraw/zinc/09/77/98/460097798.db2.gz ZZGFJEMETBMEQN-UHFFFAOYSA-N 2 2 333.476 3.010 20 0 EGADLP C[C@@H](CCSc1ccccc1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625547038 460203858 /nfs/dbraw/zinc/20/38/58/460203858.db2.gz YOBOCGKVOFZQQF-KRWDZBQOSA-N 2 2 334.529 3.354 20 0 EGADLP CCO[C@H](C)c1noc(C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062276 460358625 /nfs/dbraw/zinc/35/86/25/460358625.db2.gz NOWSBJIXCMNSFB-OAHLLOKOSA-N 2 2 346.475 3.251 20 0 EGADLP CCO[C@H](C)c1noc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000626062276 460358628 /nfs/dbraw/zinc/35/86/28/460358628.db2.gz NOWSBJIXCMNSFB-OAHLLOKOSA-N 2 2 346.475 3.251 20 0 EGADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000631442026 460381440 /nfs/dbraw/zinc/38/14/40/460381440.db2.gz UPMZECLTNLJYDB-RHSMWYFYSA-N 2 2 326.444 3.022 20 0 EGADLP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000631442026 460381444 /nfs/dbraw/zinc/38/14/44/460381444.db2.gz UPMZECLTNLJYDB-RHSMWYFYSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ncc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)n1-c1ccccc1 ZINC000623089026 460408288 /nfs/dbraw/zinc/40/82/88/460408288.db2.gz QXWOQAUOGWNFRH-UHFFFAOYSA-N 2 2 348.441 3.247 20 0 EGADLP Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000634580401 460436589 /nfs/dbraw/zinc/43/65/89/460436589.db2.gz DSTPSVFLVUPQHC-UHFFFAOYSA-N 2 2 348.450 3.037 20 0 EGADLP C[NH+](C)C[C@H](N[C@H]1CCn2cc[nH+]c21)c1cccc(C(F)(F)F)c1 ZINC000631660663 460495602 /nfs/dbraw/zinc/49/56/02/460495602.db2.gz TYVFMYDDDOLAKJ-GJZGRUSLSA-N 2 2 338.377 3.239 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000631665856 460499139 /nfs/dbraw/zinc/49/91/39/460499139.db2.gz YZDXGBKUFWCTGW-HHXXYDBFSA-N 2 2 326.488 3.147 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1C ZINC000631665856 460499148 /nfs/dbraw/zinc/49/91/48/460499148.db2.gz YZDXGBKUFWCTGW-HHXXYDBFSA-N 2 2 326.488 3.147 20 0 EGADLP CC(C)(C[NH2+]Cc1cccc2n[nH]cc21)[N@@H+]1CCc2ccccc2C1 ZINC000623347346 460501550 /nfs/dbraw/zinc/50/15/50/460501550.db2.gz YZGPDUQTFQXGGJ-UHFFFAOYSA-N 2 2 334.467 3.489 20 0 EGADLP CC(C)(C[NH2+]Cc1cccc2n[nH]cc21)[N@H+]1CCc2ccccc2C1 ZINC000623347346 460501558 /nfs/dbraw/zinc/50/15/58/460501558.db2.gz YZGPDUQTFQXGGJ-UHFFFAOYSA-N 2 2 334.467 3.489 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ncc1Br ZINC000623352456 460505443 /nfs/dbraw/zinc/50/54/43/460505443.db2.gz AZCDFPMYBYJUEP-UHFFFAOYSA-N 2 2 340.309 3.363 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000623903653 460770123 /nfs/dbraw/zinc/77/01/23/460770123.db2.gz MIRJZBVBPPASOS-KRWDZBQOSA-N 2 2 326.843 3.167 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000607152225 460799810 /nfs/dbraw/zinc/79/98/10/460799810.db2.gz WEELWWKZMRNJBJ-INIZCTEOSA-N 2 2 348.878 3.395 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000607152225 460799815 /nfs/dbraw/zinc/79/98/15/460799815.db2.gz WEELWWKZMRNJBJ-INIZCTEOSA-N 2 2 348.878 3.395 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563368 460810938 /nfs/dbraw/zinc/81/09/38/460810938.db2.gz PKWVXSUTRKODLA-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563368 460810940 /nfs/dbraw/zinc/81/09/40/460810940.db2.gz PKWVXSUTRKODLA-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccc4[nH]ccc43)c2cc1C ZINC000607287395 460821998 /nfs/dbraw/zinc/82/19/98/460821998.db2.gz QKMNZEQVKQTCCW-KRWDZBQOSA-N 2 2 348.450 3.285 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606659 460826206 /nfs/dbraw/zinc/82/62/06/460826206.db2.gz KWHLXFZFPIMQJA-KSSFIOAISA-N 2 2 347.890 3.243 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606659 460826214 /nfs/dbraw/zinc/82/62/14/460826214.db2.gz KWHLXFZFPIMQJA-KSSFIOAISA-N 2 2 347.890 3.243 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000629651623 460847306 /nfs/dbraw/zinc/84/73/06/460847306.db2.gz UXXOXRPKDYCFMS-UHFFFAOYSA-N 2 2 326.469 3.381 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000629651623 460847314 /nfs/dbraw/zinc/84/73/14/460847314.db2.gz UXXOXRPKDYCFMS-UHFFFAOYSA-N 2 2 326.469 3.381 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629655380 460849722 /nfs/dbraw/zinc/84/97/22/460849722.db2.gz KEUUIUQQIRCGET-TZMCWYRMSA-N 2 2 348.796 3.234 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629655380 460849731 /nfs/dbraw/zinc/84/97/31/460849731.db2.gz KEUUIUQQIRCGET-TZMCWYRMSA-N 2 2 348.796 3.234 20 0 EGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc2ccccc21 ZINC000624086140 460851806 /nfs/dbraw/zinc/85/18/06/460851806.db2.gz YFCGAIGNTDAGIH-PMACEKPBSA-N 2 2 339.483 3.220 20 0 EGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc2ccccc21 ZINC000624086140 460851809 /nfs/dbraw/zinc/85/18/09/460851809.db2.gz YFCGAIGNTDAGIH-PMACEKPBSA-N 2 2 339.483 3.220 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000624256424 460932602 /nfs/dbraw/zinc/93/26/02/460932602.db2.gz RRJIOAZGQPQRQP-LJQANCHMSA-N 2 2 332.463 3.390 20 0 EGADLP COc1ccc2[nH]cc(CC[NH2+]Cc3c[nH+]c4c(C)cccn34)c2c1 ZINC000608056835 460972506 /nfs/dbraw/zinc/97/25/06/460972506.db2.gz WMFKYTYXJSDUMW-UHFFFAOYSA-N 2 2 334.423 3.465 20 0 EGADLP CCOc1cncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000621342781 460998986 /nfs/dbraw/zinc/99/89/86/460998986.db2.gz JFMBCTZKBAQTCU-MRXNPFEDSA-N 2 2 340.471 3.191 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621344587 460999800 /nfs/dbraw/zinc/99/98/00/460999800.db2.gz MFRFDCPHERUABP-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000621344587 460999808 /nfs/dbraw/zinc/99/98/08/460999808.db2.gz MFRFDCPHERUABP-OXQOHEQNSA-N 2 2 325.456 3.090 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621344585 461000056 /nfs/dbraw/zinc/00/00/56/461000056.db2.gz MFRFDCPHERUABP-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621344585 461000059 /nfs/dbraw/zinc/00/00/59/461000059.db2.gz MFRFDCPHERUABP-JXFKEZNVSA-N 2 2 325.456 3.090 20 0 EGADLP Cc1cn2ccc(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)cc2[nH+]1 ZINC000635996173 461000621 /nfs/dbraw/zinc/00/06/21/461000621.db2.gz BLAONJXZRDYAPE-GOSISDBHSA-N 2 2 334.423 3.444 20 0 EGADLP C[N@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157811 461022832 /nfs/dbraw/zinc/02/28/32/461022832.db2.gz WCZPPTUPPNJPND-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@@H+](Cc1cccc2n[nH]cc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157811 461022838 /nfs/dbraw/zinc/02/28/38/461022838.db2.gz WCZPPTUPPNJPND-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000628190653 461041837 /nfs/dbraw/zinc/04/18/37/461041837.db2.gz MGQZWYGCGGBMPI-XJKSGUPXSA-N 2 2 334.414 3.310 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000628190653 461041842 /nfs/dbraw/zinc/04/18/42/461041842.db2.gz MGQZWYGCGGBMPI-XJKSGUPXSA-N 2 2 334.414 3.310 20 0 EGADLP CCC1([NH+]2CCOCC2)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000624703001 461095914 /nfs/dbraw/zinc/09/59/14/461095914.db2.gz CQMHLLINAVCSSH-UHFFFAOYSA-N 2 2 325.456 3.316 20 0 EGADLP C[C@H](c1ccco1)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637904501 461118162 /nfs/dbraw/zinc/11/81/62/461118162.db2.gz WZOVKCUXPXXYEJ-QGZVFWFLSA-N 2 2 344.455 3.184 20 0 EGADLP C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637904501 461118171 /nfs/dbraw/zinc/11/81/71/461118171.db2.gz WZOVKCUXPXXYEJ-QGZVFWFLSA-N 2 2 344.455 3.184 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C)C[NH2+]C)c1 ZINC000659004485 461132499 /nfs/dbraw/zinc/13/24/99/461132499.db2.gz KCQNSAMLAJLQAB-AWEZNQCLSA-N 2 2 329.448 3.080 20 0 EGADLP Cc1cn2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000668151275 461137529 /nfs/dbraw/zinc/13/75/29/461137529.db2.gz YXAOXBXSPYWFQN-SFHVURJKSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cn2ccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000668151275 461137537 /nfs/dbraw/zinc/13/75/37/461137537.db2.gz YXAOXBXSPYWFQN-SFHVURJKSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCCC[NH+]3CCCCC3)cc2[nH+]1 ZINC000668154524 461140391 /nfs/dbraw/zinc/14/03/91/461140391.db2.gz OTTJHNWLUPAOJV-UHFFFAOYSA-N 2 2 343.475 3.420 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351391 461145208 /nfs/dbraw/zinc/14/52/08/461145208.db2.gz VMTJNWOKYICCPE-GLJUWKHASA-N 2 2 335.879 3.036 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351391 461145218 /nfs/dbraw/zinc/14/52/18/461145218.db2.gz VMTJNWOKYICCPE-GLJUWKHASA-N 2 2 335.879 3.036 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652353572 461146377 /nfs/dbraw/zinc/14/63/77/461146377.db2.gz RAQPUTLSTHHEJX-ABAIWWIYSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652353572 461146383 /nfs/dbraw/zinc/14/63/83/461146383.db2.gz RAQPUTLSTHHEJX-ABAIWWIYSA-N 2 2 344.286 3.381 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978942 461170481 /nfs/dbraw/zinc/17/04/81/461170481.db2.gz QOCAHLNMDNESGJ-HKUYNNGSSA-N 2 2 330.520 3.315 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H](c3nccn3C)C3CC3)C2)CC1 ZINC000637978942 461170485 /nfs/dbraw/zinc/17/04/85/461170485.db2.gz QOCAHLNMDNESGJ-HKUYNNGSSA-N 2 2 330.520 3.315 20 0 EGADLP CC(C)(NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1[nH]cc[nH+]1 ZINC000652410207 461180925 /nfs/dbraw/zinc/18/09/25/461180925.db2.gz MYBLRKRWLFMRDB-UHFFFAOYSA-N 2 2 326.444 3.061 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000649575652 461189806 /nfs/dbraw/zinc/18/98/06/461189806.db2.gz XDCRDWKBMSSGKB-HNAYVOBHSA-N 2 2 338.455 3.079 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000649575652 461189810 /nfs/dbraw/zinc/18/98/10/461189810.db2.gz XDCRDWKBMSSGKB-HNAYVOBHSA-N 2 2 338.455 3.079 20 0 EGADLP Cc1noc(C)c1C[NH+]1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641286930 461202344 /nfs/dbraw/zinc/20/23/44/461202344.db2.gz KWDMVCOBOZZBSG-UHFFFAOYSA-N 2 2 328.460 3.306 20 0 EGADLP c1c(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nn2c1CCCC2 ZINC000649609450 461217543 /nfs/dbraw/zinc/21/75/43/461217543.db2.gz MDJWDIQXONGCCV-UHFFFAOYSA-N 2 2 347.466 3.090 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000638110891 461244887 /nfs/dbraw/zinc/24/48/87/461244887.db2.gz AKEJTYRTODMTJT-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000638110891 461244889 /nfs/dbraw/zinc/24/48/89/461244889.db2.gz AKEJTYRTODMTJT-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000662691287 461350019 /nfs/dbraw/zinc/35/00/19/461350019.db2.gz GCVSGSLOQFSXPK-GOSISDBHSA-N 2 2 338.455 3.213 20 0 EGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655719593 461389356 /nfs/dbraw/zinc/38/93/56/461389356.db2.gz XHMCEGNBUWLXIV-UXHICEINSA-N 2 2 334.479 3.236 20 0 EGADLP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655728820 461397444 /nfs/dbraw/zinc/39/74/44/461397444.db2.gz YOJWKKKEXTXJBF-CEWLAPEOSA-N 2 2 328.500 3.241 20 0 EGADLP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655729615 461397480 /nfs/dbraw/zinc/39/74/80/461397480.db2.gz MCTQYISLMWTLQT-AABGKKOBSA-N 2 2 332.463 3.305 20 0 EGADLP Cc1cccc(C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655730352 461399051 /nfs/dbraw/zinc/39/90/51/461399051.db2.gz OIDWSOKCRHXTIC-LEWJYISDSA-N 2 2 328.500 3.159 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)sn1 ZINC000638384670 461399645 /nfs/dbraw/zinc/39/96/45/461399645.db2.gz GNLMPGKNDKGFGA-UHFFFAOYSA-N 2 2 335.448 3.045 20 0 EGADLP CCCCCn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)n1 ZINC000655736441 461402651 /nfs/dbraw/zinc/40/26/51/461402651.db2.gz PFHWYLZIAZIPJD-FQEVSTJZSA-N 2 2 348.535 3.115 20 0 EGADLP COc1cc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1 ZINC000638420139 461420165 /nfs/dbraw/zinc/42/01/65/461420165.db2.gz LIHSBCQKCRVJJQ-AWEZNQCLSA-N 2 2 340.402 3.136 20 0 EGADLP COCCCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655764548 461430254 /nfs/dbraw/zinc/43/02/54/461430254.db2.gz KQFBLCWBWJJITC-SFTDATJTSA-N 2 2 346.515 3.387 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000668793183 461436980 /nfs/dbraw/zinc/43/69/80/461436980.db2.gz SDQRSSXAGWRLKQ-UHFFFAOYSA-N 2 2 330.819 3.142 20 0 EGADLP Cc1ccc(Oc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)cc1 ZINC000653058436 461480411 /nfs/dbraw/zinc/48/04/11/461480411.db2.gz TYHWJBDADKQEFD-GOSISDBHSA-N 2 2 327.428 3.005 20 0 EGADLP COc1cc(Cl)c(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1OC ZINC000631040648 461494581 /nfs/dbraw/zinc/49/45/81/461494581.db2.gz RVQUYNJETZXNOD-UHFFFAOYSA-N 2 2 345.830 3.337 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849024 461495092 /nfs/dbraw/zinc/49/50/92/461495092.db2.gz OQZBUSVAKSYBAT-DZFGPLHGSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(OCC[NH+](C)C)c1 ZINC000655849024 461495096 /nfs/dbraw/zinc/49/50/96/461495096.db2.gz OQZBUSVAKSYBAT-DZFGPLHGSA-N 3 2 345.531 3.295 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000653087645 461495366 /nfs/dbraw/zinc/49/53/66/461495366.db2.gz BIZINWZYFUEICD-KRWDZBQOSA-N 2 2 329.469 3.055 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000653086286 461495457 /nfs/dbraw/zinc/49/54/57/461495457.db2.gz MNHNVUGGYOWPRA-MRXNPFEDSA-N 2 2 349.837 3.364 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(C)n2n1 ZINC000655848340 461496143 /nfs/dbraw/zinc/49/61/43/461496143.db2.gz FBFNHZYZFJOLLO-QGTPRVQTSA-N 2 2 327.476 3.014 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(C)n2n1 ZINC000655848340 461496148 /nfs/dbraw/zinc/49/61/48/461496148.db2.gz FBFNHZYZFJOLLO-QGTPRVQTSA-N 2 2 327.476 3.014 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)cn1 ZINC000655855312 461503736 /nfs/dbraw/zinc/50/37/36/461503736.db2.gz DYMLKTJLUDJHGK-RTBURBONSA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)cn1 ZINC000655855312 461503746 /nfs/dbraw/zinc/50/37/46/461503746.db2.gz DYMLKTJLUDJHGK-RTBURBONSA-N 2 2 338.455 3.375 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000631052891 461507197 /nfs/dbraw/zinc/50/71/97/461507197.db2.gz UJRALODCTTTZFH-UHFFFAOYSA-N 2 2 343.402 3.442 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000631055639 461508299 /nfs/dbraw/zinc/50/82/99/461508299.db2.gz WCSFPGBLWICPKX-UHFFFAOYSA-N 2 2 326.282 3.198 20 0 EGADLP c1ccc([C@@H]2CC[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000659957237 461517534 /nfs/dbraw/zinc/51/75/34/461517534.db2.gz YNSIPYKCLIDUOC-SVFBPWRDSA-N 2 2 328.500 3.224 20 0 EGADLP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000659957237 461517544 /nfs/dbraw/zinc/51/75/44/461517544.db2.gz YNSIPYKCLIDUOC-SVFBPWRDSA-N 2 2 328.500 3.224 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3CCC[NH2+]CC3)cc2[nH+]c1C(C)(C)C ZINC000653153168 461525800 /nfs/dbraw/zinc/52/58/00/461525800.db2.gz KKIJBSQCTSHPGC-CYBMUJFWSA-N 2 2 328.460 3.199 20 0 EGADLP FC1(F)CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000647206137 461564078 /nfs/dbraw/zinc/56/40/78/461564078.db2.gz IYBLMOODTCEFSS-SFHVURJKSA-N 2 2 338.442 3.445 20 0 EGADLP FC1(F)CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000647206137 461564084 /nfs/dbraw/zinc/56/40/84/461564084.db2.gz IYBLMOODTCEFSS-SFHVURJKSA-N 2 2 338.442 3.445 20 0 EGADLP OCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1F ZINC000647250256 461591348 /nfs/dbraw/zinc/59/13/48/461591348.db2.gz TXSRNJCKLNPOAF-INIZCTEOSA-N 2 2 348.384 3.256 20 0 EGADLP Clc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000643064078 461600792 /nfs/dbraw/zinc/60/07/92/461600792.db2.gz FHYMEQCIZJALAB-HOCLYGCPSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000643064078 461600802 /nfs/dbraw/zinc/60/08/02/461600802.db2.gz FHYMEQCIZJALAB-HOCLYGCPSA-N 2 2 346.862 3.354 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000643064219 461601513 /nfs/dbraw/zinc/60/15/13/461601513.db2.gz XSEYWAURSMTRHW-DOTOQJQBSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)n1 ZINC000643064219 461601523 /nfs/dbraw/zinc/60/15/23/461601523.db2.gz XSEYWAURSMTRHW-DOTOQJQBSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1[nH]c(CN[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)[nH+]c1C ZINC000631189840 461628829 /nfs/dbraw/zinc/62/88/29/461628829.db2.gz CVZIZQRDRPNZRX-OAHLLOKOSA-N 2 2 340.393 3.438 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCc3c([nH+]cn3-c3ccccc3)C2)C1 ZINC000660221081 461647720 /nfs/dbraw/zinc/64/77/20/461647720.db2.gz LVNHCLFTLKZTKP-HDICACEKSA-N 2 2 338.499 3.208 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCc3c([nH+]cn3-c3ccccc3)C2)C1 ZINC000660221081 461647726 /nfs/dbraw/zinc/64/77/26/461647726.db2.gz LVNHCLFTLKZTKP-HDICACEKSA-N 2 2 338.499 3.208 20 0 EGADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(C2CCC2)cc1 ZINC000638984924 461669188 /nfs/dbraw/zinc/66/91/88/461669188.db2.gz VHMQPQKSODPNHJ-UHFFFAOYSA-N 2 2 336.439 3.011 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)c1 ZINC000653509371 461688110 /nfs/dbraw/zinc/68/81/10/461688110.db2.gz DFUHSHMLLSSOBP-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2[C@H]2[NH2+]CCNC2=O)c1 ZINC000653509371 461688114 /nfs/dbraw/zinc/68/81/14/461688114.db2.gz DFUHSHMLLSSOBP-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP CC(C)CN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C1CC[NH+](C)CC1 ZINC000631284198 461691379 /nfs/dbraw/zinc/69/13/79/461691379.db2.gz GFKXRDXMKLEWTA-UHFFFAOYSA-N 2 2 340.471 3.269 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCN2Cc3ccccc3C2)CC1 ZINC000643372502 461710669 /nfs/dbraw/zinc/71/06/69/461710669.db2.gz MBXIJASDPCGHLS-UHFFFAOYSA-N 2 2 341.421 3.009 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)[NH+](C)C ZINC000639090522 461720030 /nfs/dbraw/zinc/72/00/30/461720030.db2.gz IDAZECGHYKXDAF-LJCCNALRSA-N 2 2 331.504 3.023 20 0 EGADLP Cn1c[nH+]cc1CCC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000653561666 461723151 /nfs/dbraw/zinc/72/31/51/461723151.db2.gz OCRPYOWYMGDEFS-GHMZBOCLSA-N 2 2 329.288 3.025 20 0 EGADLP O=C(NCC[NH2+]C1CCCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000637854553 461740036 /nfs/dbraw/zinc/74/00/36/461740036.db2.gz BYDYHAMEGUJEBC-UHFFFAOYSA-N 2 2 326.444 3.119 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153183 461765951 /nfs/dbraw/zinc/76/59/51/461765951.db2.gz FTKWFPUUBZLLGN-FUHWJXTLSA-N 2 2 339.487 3.284 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000639153183 461765959 /nfs/dbraw/zinc/76/59/59/461765959.db2.gz FTKWFPUUBZLLGN-FUHWJXTLSA-N 2 2 339.487 3.284 20 0 EGADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+](CCc3noc4ccccc43)C1)CCCC2 ZINC000653626851 461768207 /nfs/dbraw/zinc/76/82/07/461768207.db2.gz IWWRSPFATRKAQM-HNNXBMFYSA-N 2 2 336.439 3.393 20 0 EGADLP c1[nH+]c2c(n1[C@H]1CC[N@H+](CCc3noc4ccccc43)C1)CCCC2 ZINC000653626851 461768214 /nfs/dbraw/zinc/76/82/14/461768214.db2.gz IWWRSPFATRKAQM-HNNXBMFYSA-N 2 2 336.439 3.393 20 0 EGADLP C[NH2+][C@H](c1nc(C2([NH3+])CCC2)no1)c1cccc(Cl)c1Cl ZINC000656561159 461786206 /nfs/dbraw/zinc/78/62/06/461786206.db2.gz RLPMYMDODXLCSG-NSHDSACASA-N 2 2 327.215 3.023 20 0 EGADLP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](OC)C[C@H]1c1[nH]cc[nH+]1 ZINC000643745089 461794770 /nfs/dbraw/zinc/79/47/70/461794770.db2.gz PJDXIYLHPIFEDD-BZNIZROVSA-N 2 2 342.374 3.072 20 0 EGADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000639227687 461815555 /nfs/dbraw/zinc/81/55/55/461815555.db2.gz PMJOEFKVAIKSLL-PKOBYXMFSA-N 2 2 343.515 3.078 20 0 EGADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000639227687 461815561 /nfs/dbraw/zinc/81/55/61/461815561.db2.gz PMJOEFKVAIKSLL-PKOBYXMFSA-N 2 2 343.515 3.078 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883436 461825691 /nfs/dbraw/zinc/82/56/91/461825691.db2.gz QCVBISLMWASRSV-IWCQGFGOSA-N 2 2 344.421 3.359 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000643883436 461825697 /nfs/dbraw/zinc/82/56/97/461825697.db2.gz QCVBISLMWASRSV-IWCQGFGOSA-N 2 2 344.421 3.359 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H]1C ZINC000669908655 461834540 /nfs/dbraw/zinc/83/45/40/461834540.db2.gz DWXGQXNYDHBXBQ-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H]1C ZINC000669908655 461834546 /nfs/dbraw/zinc/83/45/46/461834546.db2.gz DWXGQXNYDHBXBQ-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@@H](CC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)[NH+](C)C ZINC000656681288 461838789 /nfs/dbraw/zinc/83/87/89/461838789.db2.gz COCFTKDCCDUEKK-KXBFYZLASA-N 2 2 343.446 3.435 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691724 461844409 /nfs/dbraw/zinc/84/44/09/461844409.db2.gz FMOSEBBVYDIUET-WDEREUQCSA-N 2 2 337.266 3.484 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691724 461844412 /nfs/dbraw/zinc/84/44/12/461844412.db2.gz FMOSEBBVYDIUET-WDEREUQCSA-N 2 2 337.266 3.484 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc2)cs1 ZINC000656694389 461844939 /nfs/dbraw/zinc/84/49/39/461844939.db2.gz LCEVGPMXVFXDCJ-KSSFIOAISA-N 2 2 347.528 3.470 20 0 EGADLP Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc2)cs1 ZINC000656694389 461844947 /nfs/dbraw/zinc/84/49/47/461844947.db2.gz LCEVGPMXVFXDCJ-KSSFIOAISA-N 2 2 347.528 3.470 20 0 EGADLP COc1cc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c(Cl)cc1O ZINC000639289451 461845055 /nfs/dbraw/zinc/84/50/55/461845055.db2.gz MFUSVRIQUMAFKB-UHFFFAOYSA-N 2 2 345.830 3.343 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695373 461845758 /nfs/dbraw/zinc/84/57/58/461845758.db2.gz HTOJLGLNHMBMSE-DZGCQCFKSA-N 2 2 330.419 3.030 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695373 461845763 /nfs/dbraw/zinc/84/57/63/461845763.db2.gz HTOJLGLNHMBMSE-DZGCQCFKSA-N 2 2 330.419 3.030 20 0 EGADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814521 461848354 /nfs/dbraw/zinc/84/83/54/461848354.db2.gz RQXBPABZLLWVHO-UHFFFAOYSA-N 2 2 343.515 3.030 20 0 EGADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814521 461848361 /nfs/dbraw/zinc/84/83/61/461848361.db2.gz RQXBPABZLLWVHO-UHFFFAOYSA-N 2 2 343.515 3.030 20 0 EGADLP Fc1ccc([C@H](CNc2[nH+]ccc3[nH]ccc32)[NH+]2CCOCC2)cc1 ZINC000647846766 461856331 /nfs/dbraw/zinc/85/63/31/461856331.db2.gz RFFMTQIYQIOJLE-SFHVURJKSA-N 2 2 340.402 3.187 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647871207 461865198 /nfs/dbraw/zinc/86/51/98/461865198.db2.gz ZJTLHLQTGRTVAD-LBPRGKRZSA-N 2 2 344.286 3.253 20 0 EGADLP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000647871207 461865203 /nfs/dbraw/zinc/86/52/03/461865203.db2.gz ZJTLHLQTGRTVAD-LBPRGKRZSA-N 2 2 344.286 3.253 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)n1-c1ccccc1 ZINC000639341486 461869982 /nfs/dbraw/zinc/86/99/82/461869982.db2.gz RIWUDKKGTPOBCZ-NRFANRHFSA-N 2 2 348.450 3.367 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)n1-c1ccccc1 ZINC000639341486 461869987 /nfs/dbraw/zinc/86/99/87/461869987.db2.gz RIWUDKKGTPOBCZ-NRFANRHFSA-N 2 2 348.450 3.367 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937840 461894370 /nfs/dbraw/zinc/89/43/70/461894370.db2.gz CYDUUEAYFARUBS-XLIONFOSSA-N 2 2 343.515 3.412 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937840 461894376 /nfs/dbraw/zinc/89/43/76/461894376.db2.gz CYDUUEAYFARUBS-XLIONFOSSA-N 2 2 343.515 3.412 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000639375806 461894358 /nfs/dbraw/zinc/89/43/58/461894358.db2.gz FTZHIEYVQFCIAJ-UHFFFAOYSA-N 2 2 326.488 3.414 20 0 EGADLP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000639377447 461895275 /nfs/dbraw/zinc/89/52/75/461895275.db2.gz CXHJHKZWLBRQPR-QGZVFWFLSA-N 2 2 332.488 3.497 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647937900 461895329 /nfs/dbraw/zinc/89/53/29/461895329.db2.gz DNPGWEFAQYTGAK-YRNRMSPPSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000647937900 461895333 /nfs/dbraw/zinc/89/53/33/461895333.db2.gz DNPGWEFAQYTGAK-YRNRMSPPSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939071 461895417 /nfs/dbraw/zinc/89/54/17/461895417.db2.gz ZXAAYKUWLIAWIC-QINHECLXSA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647939071 461895427 /nfs/dbraw/zinc/89/54/27/461895427.db2.gz ZXAAYKUWLIAWIC-QINHECLXSA-N 2 2 339.483 3.076 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1OC(F)F ZINC000650708542 461903417 /nfs/dbraw/zinc/90/34/17/461903417.db2.gz COICBAMFQZXJMI-KSSFIOAISA-N 2 2 340.414 3.248 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1OC(F)F ZINC000650708542 461903422 /nfs/dbraw/zinc/90/34/22/461903422.db2.gz COICBAMFQZXJMI-KSSFIOAISA-N 2 2 340.414 3.248 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647969127 461911450 /nfs/dbraw/zinc/91/14/50/461911450.db2.gz NRZZZQLKOLGDGC-HUUCEWRRSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647969127 461911453 /nfs/dbraw/zinc/91/14/53/461911453.db2.gz NRZZZQLKOLGDGC-HUUCEWRRSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647969127 461911458 /nfs/dbraw/zinc/91/14/58/461911458.db2.gz NRZZZQLKOLGDGC-HUUCEWRRSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647969127 461911462 /nfs/dbraw/zinc/91/14/62/461911462.db2.gz NRZZZQLKOLGDGC-HUUCEWRRSA-N 2 2 327.538 3.269 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672202 461918060 /nfs/dbraw/zinc/91/80/60/461918060.db2.gz AEXYTQGZVGJFSC-WMLDXEAASA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672202 461918064 /nfs/dbraw/zinc/91/80/64/461918064.db2.gz AEXYTQGZVGJFSC-WMLDXEAASA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000660697377 461928951 /nfs/dbraw/zinc/92/89/51/461928951.db2.gz YYPLKDVGLDHOOX-IBGZPJMESA-N 2 2 334.479 3.276 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000664138378 461954749 /nfs/dbraw/zinc/95/47/49/461954749.db2.gz PCUPZVOKOSANRZ-MRXNPFEDSA-N 2 2 339.487 3.110 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000664138378 461954754 /nfs/dbraw/zinc/95/47/54/461954754.db2.gz PCUPZVOKOSANRZ-MRXNPFEDSA-N 2 2 339.487 3.110 20 0 EGADLP O[C@H](C[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Cc1cccc(Cl)c1 ZINC000644529029 461971980 /nfs/dbraw/zinc/97/19/80/461971980.db2.gz JLZIZFMHPJOCKQ-INIZCTEOSA-N 2 2 343.858 3.342 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000644569385 461989519 /nfs/dbraw/zinc/98/95/19/461989519.db2.gz MXQIFNNGPCPTEH-RTBURBONSA-N 2 2 342.483 3.044 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000644624186 462014997 /nfs/dbraw/zinc/01/49/97/462014997.db2.gz SGEANEFJHZLIPI-FOIQADDNSA-N 2 2 343.446 3.435 20 0 EGADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1F ZINC000639615360 462020484 /nfs/dbraw/zinc/02/04/84/462020484.db2.gz NMBJLFRCDYJZDC-UHFFFAOYSA-N 2 2 341.430 3.421 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000664365491 462034002 /nfs/dbraw/zinc/03/40/02/462034002.db2.gz YRHPSARRQFMTDK-GOSISDBHSA-N 2 2 332.451 3.383 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000664365491 462034007 /nfs/dbraw/zinc/03/40/07/462034007.db2.gz YRHPSARRQFMTDK-GOSISDBHSA-N 2 2 332.451 3.383 20 0 EGADLP Fc1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1Br ZINC000657332383 462052717 /nfs/dbraw/zinc/05/27/17/462052717.db2.gz FNNGNSFOAMYYNV-UHFFFAOYSA-N 2 2 338.224 3.063 20 0 EGADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683016 462055874 /nfs/dbraw/zinc/05/58/74/462055874.db2.gz QYZKYWKIUWYTEK-OAHLLOKOSA-N 2 2 349.438 3.004 20 0 EGADLP COC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1cccc(C(F)(F)F)c1 ZINC000657363842 462072784 /nfs/dbraw/zinc/07/27/84/462072784.db2.gz CONKBHMTEAQHFP-HNNXBMFYSA-N 2 2 327.350 3.225 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000651210988 462135755 /nfs/dbraw/zinc/13/57/55/462135755.db2.gz PRGOJEMHFBDDPL-MJGOQNOKSA-N 2 2 326.488 3.466 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210988 462135758 /nfs/dbraw/zinc/13/57/58/462135758.db2.gz PRGOJEMHFBDDPL-MJGOQNOKSA-N 2 2 326.488 3.466 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560757 462143862 /nfs/dbraw/zinc/14/38/62/462143862.db2.gz BSPDZLJPPXQKHR-PKOBYXMFSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560757 462143866 /nfs/dbraw/zinc/14/38/66/462143866.db2.gz BSPDZLJPPXQKHR-PKOBYXMFSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560757 462143872 /nfs/dbraw/zinc/14/38/72/462143872.db2.gz BSPDZLJPPXQKHR-PKOBYXMFSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560757 462143876 /nfs/dbraw/zinc/14/38/76/462143876.db2.gz BSPDZLJPPXQKHR-PKOBYXMFSA-N 2 2 330.520 3.380 20 0 EGADLP Cc1[nH+]c2cc(NCc3[nH+]ccn3C(C)C)ccc2n1[C@@H](C)CO ZINC000657489451 462153459 /nfs/dbraw/zinc/15/34/59/462153459.db2.gz SQQUXKCCMLDMIF-ZDUSSCGKSA-N 2 2 327.432 3.288 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N[C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)c2c1C ZINC000645147238 462201587 /nfs/dbraw/zinc/20/15/87/462201587.db2.gz ABVKPZMBZBJLRT-ZDUSSCGKSA-N 2 2 338.459 3.496 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753065 462252217 /nfs/dbraw/zinc/25/22/17/462252217.db2.gz MWABYFZIMPQLHQ-ZIFCJYIRSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753065 462252221 /nfs/dbraw/zinc/25/22/21/462252221.db2.gz MWABYFZIMPQLHQ-ZIFCJYIRSA-N 2 2 343.515 3.059 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667851144 462292841 /nfs/dbraw/zinc/29/28/41/462292841.db2.gz HFRYRSZXSPAVLP-QGZVFWFLSA-N 2 2 339.443 3.265 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880329 462305317 /nfs/dbraw/zinc/30/53/17/462305317.db2.gz WJQFYSBMCDCTOD-NHCUHLMSSA-N 2 2 329.532 3.098 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880329 462305319 /nfs/dbraw/zinc/30/53/19/462305319.db2.gz WJQFYSBMCDCTOD-NHCUHLMSSA-N 2 2 329.532 3.098 20 0 EGADLP Cc1[nH+]cc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)n1C ZINC000667994216 462365558 /nfs/dbraw/zinc/36/55/58/462365558.db2.gz YVQSRWSZXDCANP-UHFFFAOYSA-N 2 2 343.471 3.179 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)n1C ZINC000667994216 462365562 /nfs/dbraw/zinc/36/55/62/462365562.db2.gz YVQSRWSZXDCANP-UHFFFAOYSA-N 2 2 343.471 3.179 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290028 462387841 /nfs/dbraw/zinc/38/78/41/462387841.db2.gz GBRMBLVVAJEPHF-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290028 462387842 /nfs/dbraw/zinc/38/78/42/462387842.db2.gz GBRMBLVVAJEPHF-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290028 462387844 /nfs/dbraw/zinc/38/78/44/462387844.db2.gz GBRMBLVVAJEPHF-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290028 462387846 /nfs/dbraw/zinc/38/78/46/462387846.db2.gz GBRMBLVVAJEPHF-RTWAWAEBSA-N 2 2 328.500 3.400 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285359 462455729 /nfs/dbraw/zinc/45/57/29/462455729.db2.gz KSLYAWYCWRYGIM-PZJWPPBQSA-N 2 2 339.483 3.448 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000658285359 462455734 /nfs/dbraw/zinc/45/57/34/462455734.db2.gz KSLYAWYCWRYGIM-PZJWPPBQSA-N 2 2 339.483 3.448 20 0 EGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295709 462461807 /nfs/dbraw/zinc/46/18/07/462461807.db2.gz VEKAQSYTMXWADH-NHCUHLMSSA-N 2 2 346.515 3.071 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296458 462462459 /nfs/dbraw/zinc/46/24/59/462462459.db2.gz ZVBOXLLLJNYHOR-IEBWSBKVSA-N 2 2 330.472 3.052 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658304736 462468337 /nfs/dbraw/zinc/46/83/37/462468337.db2.gz WEZUIIAHFSPADC-CVEARBPZSA-N 2 2 340.471 3.170 20 0 EGADLP OC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000662049985 462512861 /nfs/dbraw/zinc/51/28/61/462512861.db2.gz DTQPMHPUWCOJIW-HNNXBMFYSA-N 2 2 331.287 3.492 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662055356 462514549 /nfs/dbraw/zinc/51/45/49/462514549.db2.gz MIBQDNTZORNDAH-SWLSCSKDSA-N 2 2 331.287 3.491 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662055356 462514551 /nfs/dbraw/zinc/51/45/51/462514551.db2.gz MIBQDNTZORNDAH-SWLSCSKDSA-N 2 2 331.287 3.491 20 0 EGADLP CCc1cc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542020001 468384492 /nfs/dbraw/zinc/38/44/92/468384492.db2.gz NSODIUBOZYLQKQ-KXBFYZLASA-N 2 2 340.471 3.049 20 0 EGADLP CCc1cc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542020001 468384495 /nfs/dbraw/zinc/38/44/95/468384495.db2.gz NSODIUBOZYLQKQ-KXBFYZLASA-N 2 2 340.471 3.049 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000525693548 478395770 /nfs/dbraw/zinc/39/57/70/478395770.db2.gz QIMVZXFLRMZNHC-UHFFFAOYSA-N 2 2 338.459 3.436 20 0 EGADLP CCc1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc[nH+]1 ZINC000603393921 479369804 /nfs/dbraw/zinc/36/98/04/479369804.db2.gz JMUDTHJNTVDLTC-UHFFFAOYSA-N 2 2 326.444 3.126 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000155185092 534226268 /nfs/dbraw/zinc/22/62/68/534226268.db2.gz GJVWILYXNOZPIC-KRWDZBQOSA-N 2 2 344.455 3.150 20 0 EGADLP C[NH+](C)[C@H](CNc1nc[nH+]c(N)c1Cl)c1ccccc1Cl ZINC000302686997 517915635 /nfs/dbraw/zinc/91/56/35/517915635.db2.gz ARBZBJKAVAGDTK-LLVKDONJSA-N 2 2 326.231 3.080 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000178166670 534842122 /nfs/dbraw/zinc/84/21/22/534842122.db2.gz AWSPNQVTXDTDMP-MRXNPFEDSA-N 2 2 326.488 3.352 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968959 527880744 /nfs/dbraw/zinc/88/07/44/527880744.db2.gz YHYVEJUPXMVAEM-NQIIRXRSSA-N 3 2 329.532 3.013 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000177968959 527880750 /nfs/dbraw/zinc/88/07/50/527880750.db2.gz YHYVEJUPXMVAEM-NQIIRXRSSA-N 3 2 329.532 3.013 20 0 EGADLP C[N@H+](CCCC1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364027022 536329194 /nfs/dbraw/zinc/32/91/94/536329194.db2.gz CIKIAMCWZWVYCM-UHFFFAOYSA-N 2 2 345.531 3.227 20 0 EGADLP C[N@@H+](CCCC1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000364027022 536329197 /nfs/dbraw/zinc/32/91/97/536329197.db2.gz CIKIAMCWZWVYCM-UHFFFAOYSA-N 2 2 345.531 3.227 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934038 536464799 /nfs/dbraw/zinc/46/47/99/536464799.db2.gz UCNCXRMVCGZGDT-UZLBHIALSA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934038 536464801 /nfs/dbraw/zinc/46/48/01/536464801.db2.gz UCNCXRMVCGZGDT-UZLBHIALSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934038 536464805 /nfs/dbraw/zinc/46/48/05/536464805.db2.gz UCNCXRMVCGZGDT-UZLBHIALSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)[C@H]2C1 ZINC000352934038 536464806 /nfs/dbraw/zinc/46/48/06/536464806.db2.gz UCNCXRMVCGZGDT-UZLBHIALSA-N 2 2 325.431 3.414 20 0 EGADLP COC(=O)c1cc(C[NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c[nH]1 ZINC000346206375 536491227 /nfs/dbraw/zinc/49/12/27/536491227.db2.gz CLJJAFOYMZITQT-LJQANCHMSA-N 2 2 343.471 3.048 20 0 EGADLP COC(=O)c1cc(C[NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c[nH]1 ZINC000346206375 536491228 /nfs/dbraw/zinc/49/12/28/536491228.db2.gz CLJJAFOYMZITQT-LJQANCHMSA-N 2 2 343.471 3.048 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184982 546654688 /nfs/dbraw/zinc/65/46/88/546654688.db2.gz SEKHAQZVARCMHW-YLJYHZDGSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090184982 546654690 /nfs/dbraw/zinc/65/46/90/546654690.db2.gz SEKHAQZVARCMHW-YLJYHZDGSA-N 3 2 340.515 3.470 20 0 EGADLP CC(C)OC1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000090771969 546660569 /nfs/dbraw/zinc/66/05/69/546660569.db2.gz VMWSFNNDMRJRCK-UHFFFAOYSA-N 2 2 331.504 3.372 20 0 EGADLP C[N@H+](Cc1nccs1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093582849 546684213 /nfs/dbraw/zinc/68/42/13/546684213.db2.gz RQQNLYJOUJBCIA-UHFFFAOYSA-N 2 2 331.485 3.250 20 0 EGADLP C[N@@H+](Cc1nccs1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093582849 546684217 /nfs/dbraw/zinc/68/42/17/546684217.db2.gz RQQNLYJOUJBCIA-UHFFFAOYSA-N 2 2 331.485 3.250 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000156678557 546913474 /nfs/dbraw/zinc/91/34/74/546913474.db2.gz FPZSFQRKTRWBNW-UTKZUKDTSA-N 3 2 345.531 3.152 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000163707271 546975240 /nfs/dbraw/zinc/97/52/40/546975240.db2.gz PAILGDGMNGNRSG-ZDUSSCGKSA-N 2 2 330.394 3.467 20 0 EGADLP CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000177883391 547031147 /nfs/dbraw/zinc/03/11/47/547031147.db2.gz VYMDDZLVHAXADZ-INIZCTEOSA-N 2 2 348.450 3.473 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000220970988 547243651 /nfs/dbraw/zinc/24/36/51/547243651.db2.gz UMIVBZVHWRKLGN-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000220970988 547243654 /nfs/dbraw/zinc/24/36/54/547243654.db2.gz UMIVBZVHWRKLGN-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP CCc1nn(C)cc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859392 547270087 /nfs/dbraw/zinc/27/00/87/547270087.db2.gz OJZBZSISVPIMJU-PXNSSMCTSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859392 547270091 /nfs/dbraw/zinc/27/00/91/547270091.db2.gz OJZBZSISVPIMJU-PXNSSMCTSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859392 547270097 /nfs/dbraw/zinc/27/00/97/547270097.db2.gz OJZBZSISVPIMJU-PXNSSMCTSA-N 2 2 340.515 3.467 20 0 EGADLP CCc1nn(C)cc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245859392 547270104 /nfs/dbraw/zinc/27/01/04/547270104.db2.gz OJZBZSISVPIMJU-PXNSSMCTSA-N 2 2 340.515 3.467 20 0 EGADLP C[C@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1[nH]cc[nH+]1 ZINC000286129645 547391541 /nfs/dbraw/zinc/39/15/41/547391541.db2.gz NXPIEZLWNKZNTC-HNNXBMFYSA-N 2 2 341.459 3.397 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000399140342 547836973 /nfs/dbraw/zinc/83/69/73/547836973.db2.gz UEDCBOBOQKMSPA-PBHICJAKSA-N 2 2 331.485 3.152 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000399140342 547836975 /nfs/dbraw/zinc/83/69/75/547836975.db2.gz UEDCBOBOQKMSPA-PBHICJAKSA-N 2 2 331.485 3.152 20 0 EGADLP Cc1cccc(C[NH+](C)[C@@H](C)CC[N@H+](C)Cc2cccc(C)n2)n1 ZINC000431608831 547894963 /nfs/dbraw/zinc/89/49/63/547894963.db2.gz YQUZEJGWOBOIAC-SFHVURJKSA-N 2 2 326.488 3.436 20 0 EGADLP Cc1cccc(C[NH+](C)[C@@H](C)CC[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000431608831 547894967 /nfs/dbraw/zinc/89/49/67/547894967.db2.gz YQUZEJGWOBOIAC-SFHVURJKSA-N 2 2 326.488 3.436 20 0 EGADLP Cc1cccc(C[NH+](C)CC[C@H](C)[N@H+](C)Cc2cccc(C)n2)n1 ZINC000431608831 547894972 /nfs/dbraw/zinc/89/49/72/547894972.db2.gz YQUZEJGWOBOIAC-SFHVURJKSA-N 2 2 326.488 3.436 20 0 EGADLP Cc1cccc(C[NH+](C)CC[C@H](C)[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000431608831 547894975 /nfs/dbraw/zinc/89/49/75/547894975.db2.gz YQUZEJGWOBOIAC-SFHVURJKSA-N 2 2 326.488 3.436 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534542999 548047504 /nfs/dbraw/zinc/04/75/04/548047504.db2.gz DZPSXJFTNMRGPL-IBGZPJMESA-N 2 2 346.434 3.097 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534542999 548047514 /nfs/dbraw/zinc/04/75/14/548047514.db2.gz DZPSXJFTNMRGPL-IBGZPJMESA-N 2 2 346.434 3.097 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)s2)cn1 ZINC000670263476 548193171 /nfs/dbraw/zinc/19/31/71/548193171.db2.gz QFQDUZYHPCRXOA-HNNXBMFYSA-N 2 2 327.457 3.182 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)s2)cn1 ZINC000670263476 548193175 /nfs/dbraw/zinc/19/31/75/548193175.db2.gz QFQDUZYHPCRXOA-HNNXBMFYSA-N 2 2 327.457 3.182 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000671191123 548259252 /nfs/dbraw/zinc/25/92/52/548259252.db2.gz VJCGJNPMMKUFFS-UHFFFAOYSA-N 2 2 331.313 3.491 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741122 548349028 /nfs/dbraw/zinc/34/90/28/548349028.db2.gz WFGSMEYYNAYWJJ-CYBMUJFWSA-N 2 2 338.411 3.248 20 0 EGADLP CCc1cc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)nc[nH+]1 ZINC000672296669 548419365 /nfs/dbraw/zinc/41/93/65/548419365.db2.gz VTRCBINQCRJOPW-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP Cc1ccccc1[C@@H]([C@@H](C)Nc1cc(-n2cc[nH+]c2)ncn1)[NH+](C)C ZINC000672343009 548426961 /nfs/dbraw/zinc/42/69/61/548426961.db2.gz BHWBAQZAKSUZIR-DNVCBOLYSA-N 2 2 336.443 3.074 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000675829663 548990664 /nfs/dbraw/zinc/99/06/64/548990664.db2.gz LMJDKJYQVHIENB-MJGOQNOKSA-N 2 2 332.875 3.136 20 0 EGADLP Clc1cccc2c1OC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882654 548996609 /nfs/dbraw/zinc/99/66/09/548996609.db2.gz UAVMEQSTBCOIBJ-PBHICJAKSA-N 2 2 336.863 3.007 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479547 549094849 /nfs/dbraw/zinc/09/48/49/549094849.db2.gz VFILRCCWOYQHMH-SFHVURJKSA-N 2 2 326.444 3.282 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676479547 549094852 /nfs/dbraw/zinc/09/48/52/549094852.db2.gz VFILRCCWOYQHMH-SFHVURJKSA-N 2 2 326.444 3.282 20 0 EGADLP CN(C(=O)CC1CCC(C)(C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676883466 549172490 /nfs/dbraw/zinc/17/24/90/549172490.db2.gz PHGALKNUGCZSCO-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)CC1CCC(C)(C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676883466 549172492 /nfs/dbraw/zinc/17/24/92/549172492.db2.gz PHGALKNUGCZSCO-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccccc4)nn3)C2)c[nH+]1 ZINC000677982907 549370427 /nfs/dbraw/zinc/37/04/27/549370427.db2.gz GAQIZEGBVISYPO-KRWDZBQOSA-N 2 2 335.411 3.303 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4)nn3)C2)c[nH+]1 ZINC000677982907 549370430 /nfs/dbraw/zinc/37/04/30/549370430.db2.gz GAQIZEGBVISYPO-KRWDZBQOSA-N 2 2 335.411 3.303 20 0 EGADLP O=C(NC1CC1)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000678134254 549405841 /nfs/dbraw/zinc/40/58/41/549405841.db2.gz TXYWYVWSYTVPGE-UHFFFAOYSA-N 2 2 341.499 3.029 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(SC)cc1OC ZINC000678235236 549436473 /nfs/dbraw/zinc/43/64/73/549436473.db2.gz PQVHHUFSRNZVMR-OAHLLOKOSA-N 2 2 347.484 3.459 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(SC)cc1OC ZINC000678235236 549436476 /nfs/dbraw/zinc/43/64/76/549436476.db2.gz PQVHHUFSRNZVMR-OAHLLOKOSA-N 2 2 347.484 3.459 20 0 EGADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678770553 549557859 /nfs/dbraw/zinc/55/78/59/549557859.db2.gz HEYRUHNPDIYLJV-GHTZIAJQSA-N 2 2 326.484 3.447 20 0 EGADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678770553 549557863 /nfs/dbraw/zinc/55/78/63/549557863.db2.gz HEYRUHNPDIYLJV-GHTZIAJQSA-N 2 2 326.484 3.447 20 0 EGADLP c1cn(CCC[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c[nH+]1 ZINC000678881799 549587566 /nfs/dbraw/zinc/58/75/66/549587566.db2.gz SQIYMSAQNZGZDB-UHFFFAOYSA-N 2 2 327.428 3.447 20 0 EGADLP c1cn(CCC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c[nH+]1 ZINC000678881799 549587569 /nfs/dbraw/zinc/58/75/69/549587569.db2.gz SQIYMSAQNZGZDB-UHFFFAOYSA-N 2 2 327.428 3.447 20 0 EGADLP Cc1cc(Nc2cc(-n3cc[nH+]c3)ncn2)c[nH+]c1N1CCCC[C@H]1C ZINC000679469885 549714361 /nfs/dbraw/zinc/71/43/61/549714361.db2.gz JNNFHBJSFYNFCF-OAHLLOKOSA-N 2 2 349.442 3.488 20 0 EGADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000679770323 549774350 /nfs/dbraw/zinc/77/43/50/549774350.db2.gz MOZFPSYGDXOTMC-HKUYNNGSSA-N 2 2 348.462 3.272 20 0 EGADLP Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(-c2cc3ccccc3o2)n1 ZINC000681698570 550028102 /nfs/dbraw/zinc/02/81/02/550028102.db2.gz DZHQUTMRAATMRX-MRXNPFEDSA-N 2 2 347.422 3.134 20 0 EGADLP COc1cc(C)c([C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069755 550068739 /nfs/dbraw/zinc/06/87/39/550068739.db2.gz AAJUKPKFKYITKD-QZTJIDSGSA-N 2 2 332.488 3.027 20 0 EGADLP COc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000682069755 550068740 /nfs/dbraw/zinc/06/87/40/550068740.db2.gz AAJUKPKFKYITKD-QZTJIDSGSA-N 2 2 332.488 3.027 20 0 EGADLP Oc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000683723973 550254964 /nfs/dbraw/zinc/25/49/64/550254964.db2.gz ZGCIQGBSEKHTFC-MRXNPFEDSA-N 2 2 342.405 3.256 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+]Cc3ccc4cnccc4c3)CC2)ccn1 ZINC000683765936 550259190 /nfs/dbraw/zinc/25/91/90/550259190.db2.gz KRGYJOQRLKSQBR-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP CCc1noc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000684620793 550349723 /nfs/dbraw/zinc/34/97/23/550349723.db2.gz CNOGGPRGLGPZCR-UHFFFAOYSA-N 2 2 325.416 3.127 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000684956999 550388136 /nfs/dbraw/zinc/38/81/36/550388136.db2.gz FOHCDXJCEPRMCR-ZWKOTPCHSA-N 2 2 331.504 3.117 20 0 EGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000685412524 550413694 /nfs/dbraw/zinc/41/36/94/550413694.db2.gz AYPPYKSWZMXMMD-OAHLLOKOSA-N 2 2 340.870 3.208 20 0 EGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000685412524 550413697 /nfs/dbraw/zinc/41/36/97/550413697.db2.gz AYPPYKSWZMXMMD-OAHLLOKOSA-N 2 2 340.870 3.208 20 0 EGADLP c1c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)onc1-c1ccccc1 ZINC000685412744 550414051 /nfs/dbraw/zinc/41/40/51/550414051.db2.gz QZYFDQWAXQPXRA-GOSISDBHSA-N 2 2 341.455 3.028 20 0 EGADLP c1c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)onc1-c1ccccc1 ZINC000685412744 550414053 /nfs/dbraw/zinc/41/40/53/550414053.db2.gz QZYFDQWAXQPXRA-GOSISDBHSA-N 2 2 341.455 3.028 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000738226977 574952514 /nfs/dbraw/zinc/95/25/14/574952514.db2.gz KYZRWUVZKVSBJC-GFCCVEGCSA-N 2 2 340.443 3.192 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000738226977 574952516 /nfs/dbraw/zinc/95/25/16/574952516.db2.gz KYZRWUVZKVSBJC-GFCCVEGCSA-N 2 2 340.443 3.192 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000309965105 574981092 /nfs/dbraw/zinc/98/10/92/574981092.db2.gz KKTJWNPRUIWMAT-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000052822636 1291711785 /nfs/dbraw/zinc/71/17/85/1291711785.db2.gz ACXLXYUVPVDWRR-RHSMWYFYSA-N 2 2 346.862 3.051 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)cn1 ZINC000057965578 1291871513 /nfs/dbraw/zinc/87/15/13/1291871513.db2.gz NMGMRDHTCOMNSP-UHFFFAOYSA-N 2 2 344.365 3.467 20 0 EGADLP CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000089134556 1292757729 /nfs/dbraw/zinc/75/77/29/1292757729.db2.gz QHEFQXBNQICCAY-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c(C)n2n1 ZINC000093401747 1292921972 /nfs/dbraw/zinc/92/19/72/1292921972.db2.gz NSEKTJVNMUNVGQ-OAHLLOKOSA-N 2 2 346.438 3.383 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850857 1293157186 /nfs/dbraw/zinc/15/71/86/1293157186.db2.gz QXUYKQXUPRYKSW-DZGCQCFKSA-N 2 2 344.471 3.499 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850857 1293157191 /nfs/dbraw/zinc/15/71/91/1293157191.db2.gz QXUYKQXUPRYKSW-DZGCQCFKSA-N 2 2 344.471 3.499 20 0 EGADLP Cc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nc1 ZINC000834911163 1293174089 /nfs/dbraw/zinc/17/40/89/1293174089.db2.gz YIHRWDLLNIRHHO-UHFFFAOYSA-N 2 2 338.499 3.257 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC[NH+](C)CC1 ZINC000122360186 1293409956 /nfs/dbraw/zinc/40/99/56/1293409956.db2.gz GUTHDPUYTLCDHV-KRWDZBQOSA-N 3 2 344.547 3.041 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000131156957 1293680547 /nfs/dbraw/zinc/68/05/47/1293680547.db2.gz HZYDGCGROXUQDR-HNNXBMFYSA-N 2 2 341.503 3.417 20 0 EGADLP c1cn(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999271 1294193417 /nfs/dbraw/zinc/19/34/17/1294193417.db2.gz MGMJXDQXNDCUKN-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999271 1294193419 /nfs/dbraw/zinc/19/34/19/1294193419.db2.gz MGMJXDQXNDCUKN-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999271 1294193425 /nfs/dbraw/zinc/19/34/25/1294193425.db2.gz MGMJXDQXNDCUKN-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999271 1294193430 /nfs/dbraw/zinc/19/34/30/1294193430.db2.gz MGMJXDQXNDCUKN-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171956126 1294424515 /nfs/dbraw/zinc/42/45/15/1294424515.db2.gz SZQMKGRVTBRCBD-HNNXBMFYSA-N 2 2 344.459 3.217 20 0 EGADLP C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000171956126 1294424517 /nfs/dbraw/zinc/42/45/17/1294424517.db2.gz SZQMKGRVTBRCBD-HNNXBMFYSA-N 2 2 344.459 3.217 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Br)cc1O ZINC000184833396 1295222548 /nfs/dbraw/zinc/22/25/48/1295222548.db2.gz NHABTYRHNGXWOX-NSHDSACASA-N 2 2 329.282 3.393 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000230969028 1296167861 /nfs/dbraw/zinc/16/78/61/1296167861.db2.gz ZNFDCCHDLUTIBT-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000230969028 1296167867 /nfs/dbraw/zinc/16/78/67/1296167867.db2.gz ZNFDCCHDLUTIBT-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCCCO4)cc2)c[nH+]1 ZINC000236580273 1296190657 /nfs/dbraw/zinc/19/06/57/1296190657.db2.gz IPLPWDPTUWTCIR-UHFFFAOYSA-N 2 2 335.407 3.323 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561826 1296419111 /nfs/dbraw/zinc/41/91/11/1296419111.db2.gz NGBGRLYNNLPBEY-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561826 1296419115 /nfs/dbraw/zinc/41/91/15/1296419115.db2.gz NGBGRLYNNLPBEY-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561826 1296419118 /nfs/dbraw/zinc/41/91/18/1296419118.db2.gz NGBGRLYNNLPBEY-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000248561826 1296419123 /nfs/dbraw/zinc/41/91/23/1296419123.db2.gz NGBGRLYNNLPBEY-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000301516143 1296789994 /nfs/dbraw/zinc/78/99/94/1296789994.db2.gz SWGFBKRFRQJFSN-IAGOWNOFSA-N 2 2 339.524 3.288 20 0 EGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000305113254 1296980398 /nfs/dbraw/zinc/98/03/98/1296980398.db2.gz DSQOIYUJYIZAHR-MSOLQXFVSA-N 2 2 340.870 3.337 20 0 EGADLP C[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309947712 1297081954 /nfs/dbraw/zinc/08/19/54/1297081954.db2.gz VVPJYWSVOIFGDQ-GTPINHCMSA-N 2 2 339.524 3.286 20 0 EGADLP Cc1sc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000873024841 1297232194 /nfs/dbraw/zinc/23/21/94/1297232194.db2.gz BXIWBWMWMPJLBA-SNVBAGLBSA-N 2 2 328.279 3.441 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[N@H+](C3CC3)[C@@H]2c2ccnn2C)c1 ZINC000344445034 1297333078 /nfs/dbraw/zinc/33/30/78/1297333078.db2.gz IHJNQCGEORGOLT-KXBFYZLASA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[N@@H+](C3CC3)[C@@H]2c2ccnn2C)c1 ZINC000344445034 1297333089 /nfs/dbraw/zinc/33/30/89/1297333089.db2.gz IHJNQCGEORGOLT-KXBFYZLASA-N 2 2 325.460 3.151 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211418 1297355508 /nfs/dbraw/zinc/35/55/08/1297355508.db2.gz ZVGZUEJTANYFAJ-GOSISDBHSA-N 3 2 329.513 3.307 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632353 1297507610 /nfs/dbraw/zinc/50/76/10/1297507610.db2.gz SIWUQWMZJGLVID-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365632353 1297507622 /nfs/dbraw/zinc/50/76/22/1297507622.db2.gz SIWUQWMZJGLVID-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365648314 1297508199 /nfs/dbraw/zinc/50/81/99/1297508199.db2.gz IJHRGSPSMXZMFF-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365648314 1297508204 /nfs/dbraw/zinc/50/82/04/1297508204.db2.gz IJHRGSPSMXZMFF-IAGOWNOFSA-N 2 2 340.471 3.244 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376426783 1297518068 /nfs/dbraw/zinc/51/80/68/1297518068.db2.gz MDODVHWOESQSSW-ZBFHGGJFSA-N 2 2 337.427 3.411 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376426783 1297518070 /nfs/dbraw/zinc/51/80/70/1297518070.db2.gz MDODVHWOESQSSW-ZBFHGGJFSA-N 2 2 337.427 3.411 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376426780 1297518094 /nfs/dbraw/zinc/51/80/94/1297518094.db2.gz MDODVHWOESQSSW-GDBMZVCRSA-N 2 2 337.427 3.411 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376426780 1297518096 /nfs/dbraw/zinc/51/80/96/1297518096.db2.gz MDODVHWOESQSSW-GDBMZVCRSA-N 2 2 337.427 3.411 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000378965666 1297531291 /nfs/dbraw/zinc/53/12/91/1297531291.db2.gz ZRDXIYXLWOJVQZ-ICSRJNTNSA-N 2 2 332.488 3.064 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000378965666 1297531300 /nfs/dbraw/zinc/53/13/00/1297531300.db2.gz ZRDXIYXLWOJVQZ-ICSRJNTNSA-N 2 2 332.488 3.064 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000382381636 1297559223 /nfs/dbraw/zinc/55/92/23/1297559223.db2.gz FMDOXKAHFPRIRS-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000382381636 1297559227 /nfs/dbraw/zinc/55/92/27/1297559227.db2.gz FMDOXKAHFPRIRS-BRWVUGGUSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000397511629 1297700625 /nfs/dbraw/zinc/70/06/25/1297700625.db2.gz NAOLNAWFEPFQEQ-MRXNPFEDSA-N 2 2 332.488 3.218 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000692174930 1298141056 /nfs/dbraw/zinc/14/10/56/1298141056.db2.gz OBDKXCLZOUCRIH-OAHLLOKOSA-N 2 2 327.513 3.096 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029229 1298254616 /nfs/dbraw/zinc/25/46/16/1298254616.db2.gz UVODCPYQSDNKRA-PKOBYXMFSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cn(C)cn1 ZINC000710029229 1298254623 /nfs/dbraw/zinc/25/46/23/1298254623.db2.gz UVODCPYQSDNKRA-PKOBYXMFSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000712454044 1298266556 /nfs/dbraw/zinc/26/65/56/1298266556.db2.gz XVVGKELVJNWFHX-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]([NH2+]Cc1cnn(C)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000712454044 1298266566 /nfs/dbraw/zinc/26/65/66/1298266566.db2.gz XVVGKELVJNWFHX-ZBFHGGJFSA-N 2 2 332.879 3.074 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2N(C)C)o1 ZINC000749983827 1299319344 /nfs/dbraw/zinc/31/93/44/1299319344.db2.gz RTNYJBHSEGKPCS-UHFFFAOYSA-N 2 2 330.432 3.143 20 0 EGADLP C[C@@]1(C[NH2+]Cc2ccc(Cl)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000877496351 1299348730 /nfs/dbraw/zinc/34/87/30/1299348730.db2.gz PRROXMBINQEGSI-SFHVURJKSA-N 2 2 330.863 3.132 20 0 EGADLP C[C@@]1(C[NH2+]Cc2ccc(Cl)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496351 1299348738 /nfs/dbraw/zinc/34/87/38/1299348738.db2.gz PRROXMBINQEGSI-SFHVURJKSA-N 2 2 330.863 3.132 20 0 EGADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000753858409 1300031137 /nfs/dbraw/zinc/03/11/37/1300031137.db2.gz KPNVRHOFSFDSJR-RDTXWAMCSA-N 2 2 336.426 3.185 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653115 1300127541 /nfs/dbraw/zinc/12/75/41/1300127541.db2.gz YTRIVDVCGOCLLW-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878653115 1300127545 /nfs/dbraw/zinc/12/75/45/1300127545.db2.gz YTRIVDVCGOCLLW-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000878653115 1300127550 /nfs/dbraw/zinc/12/75/50/1300127550.db2.gz YTRIVDVCGOCLLW-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000878653115 1300127555 /nfs/dbraw/zinc/12/75/55/1300127555.db2.gz YTRIVDVCGOCLLW-AZUAARDMSA-N 2 2 329.488 3.130 20 0 EGADLP CCCCC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000755368228 1300327987 /nfs/dbraw/zinc/32/79/87/1300327987.db2.gz YZXKJBABUCNKSA-LJQANCHMSA-N 2 2 339.568 3.323 20 0 EGADLP CCCCC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000755368228 1300327998 /nfs/dbraw/zinc/32/79/98/1300327998.db2.gz YZXKJBABUCNKSA-LJQANCHMSA-N 2 2 339.568 3.323 20 0 EGADLP C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000880004855 1300844485 /nfs/dbraw/zinc/84/44/85/1300844485.db2.gz ZOUQAZQIQZCXFU-KRWDZBQOSA-N 2 2 342.405 3.293 20 0 EGADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137988 1300943756 /nfs/dbraw/zinc/94/37/56/1300943756.db2.gz OAQLRYZANABAAB-HZPDHXFCSA-N 2 2 328.378 3.296 20 0 EGADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137988 1300943764 /nfs/dbraw/zinc/94/37/64/1300943764.db2.gz OAQLRYZANABAAB-HZPDHXFCSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137988 1300943774 /nfs/dbraw/zinc/94/37/74/1300943774.db2.gz OAQLRYZANABAAB-HZPDHXFCSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137988 1300943779 /nfs/dbraw/zinc/94/37/79/1300943779.db2.gz OAQLRYZANABAAB-HZPDHXFCSA-N 2 2 328.378 3.296 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000759153514 1301027331 /nfs/dbraw/zinc/02/73/31/1301027331.db2.gz JAUKBDULSIVFJJ-HNNXBMFYSA-N 2 2 327.513 3.144 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000759153514 1301027344 /nfs/dbraw/zinc/02/73/44/1301027344.db2.gz JAUKBDULSIVFJJ-HNNXBMFYSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H]1CC[N@H+](Cn2ccc(-c3cccs3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160966 1301029445 /nfs/dbraw/zinc/02/94/45/1301029445.db2.gz XKWYCLWUNPRRDZ-GOEBONIOSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160966 1301029454 /nfs/dbraw/zinc/02/94/54/1301029454.db2.gz XKWYCLWUNPRRDZ-GOEBONIOSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3cccs3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160963 1301029513 /nfs/dbraw/zinc/02/95/13/1301029513.db2.gz XKWYCLWUNPRRDZ-GDBMZVCRSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759160963 1301029522 /nfs/dbraw/zinc/02/95/22/1301029522.db2.gz XKWYCLWUNPRRDZ-GDBMZVCRSA-N 2 2 327.457 3.349 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000761300645 1301439217 /nfs/dbraw/zinc/43/92/17/1301439217.db2.gz TUTIXRFPJPNTHQ-SOAGJPPSSA-N 2 2 343.515 3.076 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000761300645 1301439222 /nfs/dbraw/zinc/43/92/22/1301439222.db2.gz TUTIXRFPJPNTHQ-SOAGJPPSSA-N 2 2 343.515 3.076 20 0 EGADLP C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[NH+]1CCCCCC1 ZINC000882872620 1302138964 /nfs/dbraw/zinc/13/89/64/1302138964.db2.gz IYUSWUSNGVMJNK-IEBWSBKVSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882951827 1302180535 /nfs/dbraw/zinc/18/05/35/1302180535.db2.gz WNPHYLFFUKAKQE-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000882951827 1302180544 /nfs/dbraw/zinc/18/05/44/1302180544.db2.gz WNPHYLFFUKAKQE-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252140 1302228971 /nfs/dbraw/zinc/22/89/71/1302228971.db2.gz RCOFSUNTMGNYJS-RLLQIKCJSA-N 2 2 340.515 3.408 20 0 EGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CCOCC2)cc1 ZINC000883217890 1302312639 /nfs/dbraw/zinc/31/26/39/1302312639.db2.gz QAGHNBSPXUEZNC-IEBWSBKVSA-N 2 2 329.419 3.095 20 0 EGADLP Cc1cc(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)c(C)c[nH+]1 ZINC000767947727 1302791676 /nfs/dbraw/zinc/79/16/76/1302791676.db2.gz PCRUPKGQJPGHBH-UHFFFAOYSA-N 2 2 344.503 3.287 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000886707885 1303572706 /nfs/dbraw/zinc/57/27/06/1303572706.db2.gz VOOWUHJIKPHHKG-OKZBNKHCSA-N 2 2 335.536 3.115 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867329 1303619792 /nfs/dbraw/zinc/61/97/92/1303619792.db2.gz CNANBYIYBCBOAR-DNVCBOLYSA-N 2 2 349.906 3.441 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867329 1303619795 /nfs/dbraw/zinc/61/97/95/1303619795.db2.gz CNANBYIYBCBOAR-DNVCBOLYSA-N 2 2 349.906 3.441 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886867753 1303619989 /nfs/dbraw/zinc/61/99/89/1303619989.db2.gz MZTYMPVGRTXDNN-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886867753 1303619995 /nfs/dbraw/zinc/61/99/95/1303619995.db2.gz MZTYMPVGRTXDNN-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP O[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)C[NH+]1CCCC1 ZINC000775455766 1303967414 /nfs/dbraw/zinc/96/74/14/1303967414.db2.gz WNVAFUZYLJFODZ-RXVVDRJESA-N 2 2 342.458 3.156 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000775620621 1303995406 /nfs/dbraw/zinc/99/54/06/1303995406.db2.gz DLKWIIBAKLUHQI-ZACQAIPSSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc2ccccc2[nH]1 ZINC000775623430 1303997088 /nfs/dbraw/zinc/99/70/88/1303997088.db2.gz QBSSYLKBUFZKEE-OXQOHEQNSA-N 2 2 349.478 3.238 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc2ccccc2[nH]1 ZINC000775623430 1303997091 /nfs/dbraw/zinc/99/70/91/1303997091.db2.gz QBSSYLKBUFZKEE-OXQOHEQNSA-N 2 2 349.478 3.238 20 0 EGADLP CCCCC[C@@H](CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000775742291 1304026443 /nfs/dbraw/zinc/02/64/43/1304026443.db2.gz UAQQQMBWXWPVBI-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP CCCCC[C@@H](CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000775742291 1304026447 /nfs/dbraw/zinc/02/64/47/1304026447.db2.gz UAQQQMBWXWPVBI-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP CC(C)[C@@H](O)C1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000776166773 1304104638 /nfs/dbraw/zinc/10/46/38/1304104638.db2.gz FLWSJMANHPXQDV-HXUWFJFHSA-N 2 2 345.531 3.108 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000888577445 1304204390 /nfs/dbraw/zinc/20/43/90/1304204390.db2.gz GAOYBAPBSQVCCX-SJORKVTESA-N 2 2 328.460 3.027 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000888577445 1304204397 /nfs/dbraw/zinc/20/43/97/1304204397.db2.gz GAOYBAPBSQVCCX-SJORKVTESA-N 2 2 328.460 3.027 20 0 EGADLP C[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCCC1 ZINC000779020888 1304519677 /nfs/dbraw/zinc/51/96/77/1304519677.db2.gz VBIUYCUMYJJBTP-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[C@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989112 1304899424 /nfs/dbraw/zinc/89/94/24/1304899424.db2.gz RNQXRWHJIPRGEQ-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989112 1304899427 /nfs/dbraw/zinc/89/94/27/1304899427.db2.gz RNQXRWHJIPRGEQ-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989112 1304899431 /nfs/dbraw/zinc/89/94/31/1304899431.db2.gz RNQXRWHJIPRGEQ-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCN1C(=O)OC(C)(C)C ZINC000781989112 1304899437 /nfs/dbraw/zinc/89/94/37/1304899437.db2.gz RNQXRWHJIPRGEQ-DLBZAZTESA-N 2 2 339.524 3.048 20 0 EGADLP CCC1CCC([N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C2CC2)CC1 ZINC000783971586 1305170302 /nfs/dbraw/zinc/17/03/02/1305170302.db2.gz JGAVSRHPPFOJAP-AQFXKWCLSA-N 2 2 344.503 3.127 20 0 EGADLP CCC1CCC([N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C2CC2)CC1 ZINC000783971586 1305170307 /nfs/dbraw/zinc/17/03/07/1305170307.db2.gz JGAVSRHPPFOJAP-AQFXKWCLSA-N 2 2 344.503 3.127 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+](CC(C)(C)C)CC(C)(C)C)C1 ZINC000783991728 1305172347 /nfs/dbraw/zinc/17/23/47/1305172347.db2.gz GYXSKGVAYKQHHB-HNNXBMFYSA-N 2 2 334.508 3.088 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000783997457 1305173308 /nfs/dbraw/zinc/17/33/08/1305173308.db2.gz VGJGWDIUOYOLBI-MSOLQXFVSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000783997457 1305173309 /nfs/dbraw/zinc/17/33/09/1305173309.db2.gz VGJGWDIUOYOLBI-MSOLQXFVSA-N 2 2 344.503 3.128 20 0 EGADLP Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc(C2CCC2)[nH+]1 ZINC000891814872 1305175776 /nfs/dbraw/zinc/17/57/76/1305175776.db2.gz KDWFXMMTWLBIRZ-QGZVFWFLSA-N 2 2 330.476 3.108 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892235937 1305290916 /nfs/dbraw/zinc/29/09/16/1305290916.db2.gz PZTKDYZZKISQRH-UYAOXDASSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892235937 1305290921 /nfs/dbraw/zinc/29/09/21/1305290921.db2.gz PZTKDYZZKISQRH-UYAOXDASSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000892235937 1305290923 /nfs/dbraw/zinc/29/09/23/1305290923.db2.gz PZTKDYZZKISQRH-UYAOXDASSA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000892235937 1305290927 /nfs/dbraw/zinc/29/09/27/1305290927.db2.gz PZTKDYZZKISQRH-UYAOXDASSA-N 2 2 328.504 3.132 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccccc1 ZINC000893079585 1305695596 /nfs/dbraw/zinc/69/55/96/1305695596.db2.gz KAHRVASLJHLBDK-SFHVURJKSA-N 2 2 335.455 3.105 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000788505086 1305959255 /nfs/dbraw/zinc/95/92/55/1305959255.db2.gz RWJNTFTWZJWCLC-SJORKVTESA-N 2 2 348.491 3.041 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000893706331 1306042155 /nfs/dbraw/zinc/04/21/55/1306042155.db2.gz COZKAHBCPZUFLZ-LBPRGKRZSA-N 2 2 348.472 3.396 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)ccc1OC ZINC000788982273 1306057458 /nfs/dbraw/zinc/05/74/58/1306057458.db2.gz GOAKTBUYHKCPDX-GJZGRUSLSA-N 2 2 345.491 3.077 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977800 1306160236 /nfs/dbraw/zinc/16/02/36/1306160236.db2.gz JKLNSQKFAWSNGJ-NVXWUHKLSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977800 1306160244 /nfs/dbraw/zinc/16/02/44/1306160244.db2.gz JKLNSQKFAWSNGJ-NVXWUHKLSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977800 1306160249 /nfs/dbraw/zinc/16/02/49/1306160249.db2.gz JKLNSQKFAWSNGJ-NVXWUHKLSA-N 2 2 344.455 3.472 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977800 1306160252 /nfs/dbraw/zinc/16/02/52/1306160252.db2.gz JKLNSQKFAWSNGJ-NVXWUHKLSA-N 2 2 344.455 3.472 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790528175 1306344970 /nfs/dbraw/zinc/34/49/70/1306344970.db2.gz DLXYYWKZTZFWES-QGZVFWFLSA-N 2 2 346.906 3.405 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790528175 1306344980 /nfs/dbraw/zinc/34/49/80/1306344980.db2.gz DLXYYWKZTZFWES-QGZVFWFLSA-N 2 2 346.906 3.405 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000791392491 1308978631 /nfs/dbraw/zinc/97/86/31/1308978631.db2.gz RJRBZOJRTOMEMA-ZACQAIPSSA-N 2 2 341.455 3.485 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000895411209 1309324796 /nfs/dbraw/zinc/32/47/96/1309324796.db2.gz MBQXMUHWVHYQEM-UHFFFAOYSA-N 2 2 343.515 3.122 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000895793501 1309522871 /nfs/dbraw/zinc/52/28/71/1309522871.db2.gz XQHKLHLSABUMLX-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000895793501 1309522879 /nfs/dbraw/zinc/52/28/79/1309522879.db2.gz XQHKLHLSABUMLX-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000895793501 1309522889 /nfs/dbraw/zinc/52/28/89/1309522889.db2.gz XQHKLHLSABUMLX-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)sn1 ZINC000895793501 1309522898 /nfs/dbraw/zinc/52/28/98/1309522898.db2.gz XQHKLHLSABUMLX-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056997 1318876056 /nfs/dbraw/zinc/87/60/56/1318876056.db2.gz KZOAVNAWFPIRKH-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056997 1318876077 /nfs/dbraw/zinc/87/60/77/1318876077.db2.gz KZOAVNAWFPIRKH-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796258522 1309945402 /nfs/dbraw/zinc/94/54/02/1309945402.db2.gz NWMVCJKUXKPDMP-JCYILVPMSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796258522 1309945409 /nfs/dbraw/zinc/94/54/09/1309945409.db2.gz NWMVCJKUXKPDMP-JCYILVPMSA-N 2 2 339.524 3.144 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000796275323 1309950266 /nfs/dbraw/zinc/95/02/66/1309950266.db2.gz HZNOEQBNDFYXRG-UHFFFAOYSA-N 2 2 338.242 3.408 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)s1 ZINC000796295584 1309956970 /nfs/dbraw/zinc/95/69/70/1309956970.db2.gz QQJKRHGTIANQKB-GOSISDBHSA-N 2 2 341.480 3.181 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccccc3)CCOCC2)s1 ZINC000796313181 1309963864 /nfs/dbraw/zinc/96/38/64/1309963864.db2.gz QWOPXIUGVNYMOE-UHFFFAOYSA-N 2 2 331.485 3.000 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)c2cc3ccccc3s2)s1 ZINC000796321435 1309965412 /nfs/dbraw/zinc/96/54/12/1309965412.db2.gz FZJDVSGUVUYCFJ-AWEZNQCLSA-N 2 2 347.509 3.243 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1-n1ccnn1 ZINC000796715610 1310071553 /nfs/dbraw/zinc/07/15/53/1310071553.db2.gz GTSZPEXFUKXZTM-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP Cc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc(Cl)n1 ZINC000797600632 1310219551 /nfs/dbraw/zinc/21/95/51/1310219551.db2.gz BIZDJMFUGITRIL-INIZCTEOSA-N 2 2 345.878 3.191 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc(Cl)cn1 ZINC000799165963 1310497207 /nfs/dbraw/zinc/49/72/07/1310497207.db2.gz SYAVRTHEBKTHOU-HUUCEWRRSA-N 2 2 344.890 3.376 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC000898032141 1310556552 /nfs/dbraw/zinc/55/65/52/1310556552.db2.gz XMKVWABICAOXCO-JKSUJKDBSA-N 2 2 339.524 3.001 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC000898032141 1310556561 /nfs/dbraw/zinc/55/65/61/1310556561.db2.gz XMKVWABICAOXCO-JKSUJKDBSA-N 2 2 339.524 3.001 20 0 EGADLP C[NH+](C)C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000802376615 1317003084 /nfs/dbraw/zinc/00/30/84/1317003084.db2.gz SJLFZKVEFHJDFY-HNNXBMFYSA-N 2 2 342.830 3.020 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001019040362 1317017650 /nfs/dbraw/zinc/01/76/50/1317017650.db2.gz XYNCJMNCJCFHKG-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001019039996 1317018005 /nfs/dbraw/zinc/01/80/05/1317018005.db2.gz CWBNHDMUGIUKJZ-PBHICJAKSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880261 1317351950 /nfs/dbraw/zinc/35/19/50/1317351950.db2.gz CXPSYFDJZUQVRK-IEZWGBDMSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000900880261 1317351960 /nfs/dbraw/zinc/35/19/60/1317351960.db2.gz CXPSYFDJZUQVRK-IEZWGBDMSA-N 2 2 338.455 3.066 20 0 EGADLP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)C1C[NH+](CC=C(C)C)C1 ZINC000957445206 1317368361 /nfs/dbraw/zinc/36/83/61/1317368361.db2.gz IOPDSGCKSAWWQA-UHFFFAOYSA-N 2 2 347.503 3.234 20 0 EGADLP O=C(OCc1cccc2[nH+]ccn21)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805899003 1317436568 /nfs/dbraw/zinc/43/65/68/1317436568.db2.gz GKNHQUJGYHZIPX-UHFFFAOYSA-N 2 2 335.407 3.287 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957541972 1317438129 /nfs/dbraw/zinc/43/81/29/1317438129.db2.gz NMJGCALLMVLGGA-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806136054 1317464108 /nfs/dbraw/zinc/46/41/08/1317464108.db2.gz ZGUDVJHVNQMZGB-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP CC[N@H+](CC1CCC1)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000957759853 1317624922 /nfs/dbraw/zinc/62/49/22/1317624922.db2.gz FHGAKEKBTDEZJB-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000957759853 1317624930 /nfs/dbraw/zinc/62/49/30/1317624930.db2.gz FHGAKEKBTDEZJB-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)c(C)[nH+]1 ZINC001020415053 1317687418 /nfs/dbraw/zinc/68/74/18/1317687418.db2.gz YKTBIBKJHKHTMN-UJWQCDCRSA-N 2 2 341.499 3.293 20 0 EGADLP CCc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816328 1317738063 /nfs/dbraw/zinc/73/80/63/1317738063.db2.gz YEZJHCQKWCNDTQ-GOSISDBHSA-N 2 2 329.488 3.171 20 0 EGADLP CCc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816328 1317738066 /nfs/dbraw/zinc/73/80/66/1317738066.db2.gz YEZJHCQKWCNDTQ-GOSISDBHSA-N 2 2 329.488 3.171 20 0 EGADLP COc1cccc(C[NH2+]C[C@H]([NH3+])CC(F)F)c1OC1CCCC1 ZINC000903922426 1317748869 /nfs/dbraw/zinc/74/88/69/1317748869.db2.gz XAOIAQXQJAOCOJ-CYBMUJFWSA-N 2 2 328.403 3.089 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1OC ZINC000903959637 1317756725 /nfs/dbraw/zinc/75/67/25/1317756725.db2.gz LGONAOKJEHMGQS-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1OC ZINC000903959637 1317756730 /nfs/dbraw/zinc/75/67/30/1317756730.db2.gz LGONAOKJEHMGQS-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001020571157 1317781380 /nfs/dbraw/zinc/78/13/80/1317781380.db2.gz DKRXBMLJTLHWGV-BRWVUGGUSA-N 2 2 344.503 3.037 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)cc2)c1C ZINC000908325112 1318328176 /nfs/dbraw/zinc/32/81/76/1318328176.db2.gz XFFZDGDOUBQKRJ-MJGOQNOKSA-N 2 2 338.455 3.445 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)cc2)c1C ZINC000908325112 1318328183 /nfs/dbraw/zinc/32/81/83/1318328183.db2.gz XFFZDGDOUBQKRJ-MJGOQNOKSA-N 2 2 338.455 3.445 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC000960151281 1318383436 /nfs/dbraw/zinc/38/34/36/1318383436.db2.gz XGFRZEKDBSXIIC-WBVHZDCISA-N 2 2 346.500 3.067 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575937 1318422209 /nfs/dbraw/zinc/42/22/09/1318422209.db2.gz PHZZHZGQTFJZIB-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575937 1318422213 /nfs/dbraw/zinc/42/22/13/1318422213.db2.gz PHZZHZGQTFJZIB-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000960288190 1318445830 /nfs/dbraw/zinc/44/58/30/1318445830.db2.gz MEGOKFCJYXWGJG-UYAOXDASSA-N 2 2 337.467 3.402 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612803 1318460120 /nfs/dbraw/zinc/46/01/20/1318460120.db2.gz GJBLUMUSKIHQMU-DNVCBOLYSA-N 2 2 340.471 3.290 20 0 EGADLP CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612803 1318460125 /nfs/dbraw/zinc/46/01/25/1318460125.db2.gz GJBLUMUSKIHQMU-DNVCBOLYSA-N 2 2 340.471 3.290 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056997 1318876045 /nfs/dbraw/zinc/87/60/45/1318876045.db2.gz KZOAVNAWFPIRKH-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(Br)c2)C[C@H]1C ZINC000815056997 1318876031 /nfs/dbraw/zinc/87/60/31/1318876031.db2.gz KZOAVNAWFPIRKH-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000912814292 1318940186 /nfs/dbraw/zinc/94/01/86/1318940186.db2.gz VFUKNZFAIJXXAU-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910029 1319055711 /nfs/dbraw/zinc/05/57/11/1319055711.db2.gz IVOXGTCTCJFHPY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910029 1319055719 /nfs/dbraw/zinc/05/57/19/1319055719.db2.gz IVOXGTCTCJFHPY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910029 1319055730 /nfs/dbraw/zinc/05/57/30/1319055730.db2.gz IVOXGTCTCJFHPY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910029 1319055747 /nfs/dbraw/zinc/05/57/47/1319055747.db2.gz IVOXGTCTCJFHPY-QFBILLFUSA-N 2 2 344.503 3.012 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817954618 1319475143 /nfs/dbraw/zinc/47/51/43/1319475143.db2.gz FDNFZPJUSAJKCV-FGTMMUONSA-N 2 2 347.503 3.454 20 0 EGADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000817955562 1319476814 /nfs/dbraw/zinc/47/68/14/1319476814.db2.gz YWMNESYXSOSXKH-HNAYVOBHSA-N 2 2 339.439 3.384 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000819183808 1319660275 /nfs/dbraw/zinc/66/02/75/1319660275.db2.gz SPDGQLFWOAIYRE-LAUBAEHRSA-N 2 2 339.483 3.239 20 0 EGADLP C[C@H]([NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC000961989144 1319794469 /nfs/dbraw/zinc/79/44/69/1319794469.db2.gz UDJTWBHPNGWVIR-SYJJWHGVSA-N 2 2 348.450 3.422 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876098 1321167056 /nfs/dbraw/zinc/16/70/56/1321167056.db2.gz KIVZCSKCRQWURU-STQMWFEESA-N 2 2 342.270 3.148 20 0 EGADLP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000840876098 1321167060 /nfs/dbraw/zinc/16/70/60/1321167060.db2.gz KIVZCSKCRQWURU-STQMWFEESA-N 2 2 342.270 3.148 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC(=O)CC ZINC000840941715 1321182612 /nfs/dbraw/zinc/18/26/12/1321182612.db2.gz IYDHGAWPTRTSFM-KRWDZBQOSA-N 2 2 348.487 3.317 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OC(=O)CC ZINC000840941715 1321182614 /nfs/dbraw/zinc/18/26/14/1321182614.db2.gz IYDHGAWPTRTSFM-KRWDZBQOSA-N 2 2 348.487 3.317 20 0 EGADLP C[NH2+]CCC[NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000841041897 1321207921 /nfs/dbraw/zinc/20/79/21/1321207921.db2.gz JXIZXQHWDJUJKJ-UHFFFAOYSA-N 2 2 334.895 3.407 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841101351 1321218268 /nfs/dbraw/zinc/21/82/68/1321218268.db2.gz ULZCKKRGURQRQH-ZFWWWQNUSA-N 2 2 332.879 3.251 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841101351 1321218272 /nfs/dbraw/zinc/21/82/72/1321218272.db2.gz ULZCKKRGURQRQH-ZFWWWQNUSA-N 2 2 332.879 3.251 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)c(N(C)C)[nH+]1 ZINC000841407424 1321269251 /nfs/dbraw/zinc/26/92/51/1321269251.db2.gz DMQXOPQBKZCGSD-QGZVFWFLSA-N 2 2 326.444 3.088 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(Br)cnc1Cl)C[NH+]1CCCC1 ZINC000842669870 1321415800 /nfs/dbraw/zinc/41/58/00/1321415800.db2.gz DYWRWWVGDCBNNM-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053851 1321462970 /nfs/dbraw/zinc/46/29/70/1321462970.db2.gz USZDFNSESSLIQF-RHSMWYFYSA-N 2 2 332.879 3.393 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053851 1321462972 /nfs/dbraw/zinc/46/29/72/1321462972.db2.gz USZDFNSESSLIQF-RHSMWYFYSA-N 2 2 332.879 3.393 20 0 EGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000849053924 1322060086 /nfs/dbraw/zinc/06/00/86/1322060086.db2.gz ZXCDBTVOMIESOM-GVDBMIGSSA-N 2 2 340.556 3.203 20 0 EGADLP COc1ccc(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)on2)cc1 ZINC000850527404 1322260901 /nfs/dbraw/zinc/26/09/01/1322260901.db2.gz WUHPGBSALDOWRZ-MQVJKMGUSA-N 2 2 327.428 3.065 20 0 EGADLP COc1ccc(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)on2)cc1 ZINC000850527404 1322260908 /nfs/dbraw/zinc/26/09/08/1322260908.db2.gz WUHPGBSALDOWRZ-MQVJKMGUSA-N 2 2 327.428 3.065 20 0 EGADLP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000921551772 1322350708 /nfs/dbraw/zinc/35/07/08/1322350708.db2.gz PWJVXUCPJHIWAQ-UHFFFAOYSA-N 2 2 340.467 3.126 20 0 EGADLP C[C@@H](COCC1CCCCC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922603426 1322568641 /nfs/dbraw/zinc/56/86/41/1322568641.db2.gz QNGGOQPNHNQPJB-AWEZNQCLSA-N 2 2 325.522 3.280 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924593281 1323067651 /nfs/dbraw/zinc/06/76/51/1323067651.db2.gz XDCJTOMATPEUNX-RTBURBONSA-N 2 2 329.488 3.388 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924593281 1323067662 /nfs/dbraw/zinc/06/76/62/1323067662.db2.gz XDCJTOMATPEUNX-RTBURBONSA-N 2 2 329.488 3.388 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924593277 1323068015 /nfs/dbraw/zinc/06/80/15/1323068015.db2.gz XDCJTOMATPEUNX-OALUTQOASA-N 2 2 329.488 3.388 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924593277 1323068020 /nfs/dbraw/zinc/06/80/20/1323068020.db2.gz XDCJTOMATPEUNX-OALUTQOASA-N 2 2 329.488 3.388 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001024071839 1323109765 /nfs/dbraw/zinc/10/97/65/1323109765.db2.gz JBOWSDDYCOWAAU-GOSISDBHSA-N 2 2 329.488 3.249 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274349 1324091930 /nfs/dbraw/zinc/09/19/30/1324091930.db2.gz XAWPJHHPLLKPLJ-MOPGFXCFSA-N 2 2 346.519 3.234 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274349 1324091937 /nfs/dbraw/zinc/09/19/37/1324091937.db2.gz XAWPJHHPLLKPLJ-MOPGFXCFSA-N 2 2 346.519 3.234 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCC(C)C ZINC001025296549 1324128164 /nfs/dbraw/zinc/12/81/64/1324128164.db2.gz KELOALZBYVHBMJ-RTBURBONSA-N 2 2 346.519 3.152 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(C)C ZINC001025296549 1324128166 /nfs/dbraw/zinc/12/81/66/1324128166.db2.gz KELOALZBYVHBMJ-RTBURBONSA-N 2 2 346.519 3.152 20 0 EGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931716491 1329170141 /nfs/dbraw/zinc/17/01/41/1329170141.db2.gz LNCQVCDRMYETOY-UHFFFAOYSA-N 2 2 336.439 3.287 20 0 EGADLP CC[C@H]([NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001026568066 1324902230 /nfs/dbraw/zinc/90/22/30/1324902230.db2.gz RFOKETPOUFSGIM-TVPLGVNVSA-N 2 2 340.471 3.121 20 0 EGADLP CC(C)C[NH2+]C1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001026586015 1324912480 /nfs/dbraw/zinc/91/24/80/1324912480.db2.gz NVKBQJNNNUMCBO-UHFFFAOYSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001026919747 1325083187 /nfs/dbraw/zinc/08/31/87/1325083187.db2.gz NBAQZEZXDIAKBK-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001026954528 1325104414 /nfs/dbraw/zinc/10/44/14/1325104414.db2.gz JBDPUCRNYDKNGX-SJORKVTESA-N 2 2 348.450 3.147 20 0 EGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1CC[C@H](C2CCCCC2)C1=O ZINC000853502384 1325107420 /nfs/dbraw/zinc/10/74/20/1325107420.db2.gz YMKYASMMFBLJTL-RTBURBONSA-N 2 2 344.503 3.042 20 0 EGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1CC[C@H](C2CCCCC2)C1=O ZINC000853502384 1325107425 /nfs/dbraw/zinc/10/74/25/1325107425.db2.gz YMKYASMMFBLJTL-RTBURBONSA-N 2 2 344.503 3.042 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368315 1325173350 /nfs/dbraw/zinc/17/33/50/1325173350.db2.gz VIDBDKREGDPMJW-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368315 1325173353 /nfs/dbraw/zinc/17/33/53/1325173353.db2.gz VIDBDKREGDPMJW-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001027097460 1325222127 /nfs/dbraw/zinc/22/21/27/1325222127.db2.gz WCLZNMSKKHGGGY-PKOBYXMFSA-N 2 2 346.519 3.243 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925592155 1325225210 /nfs/dbraw/zinc/22/52/10/1325225210.db2.gz UZHCSYKTCHREJH-JRGCBEDISA-N 2 2 342.531 3.214 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925592155 1325225219 /nfs/dbraw/zinc/22/52/19/1325225219.db2.gz UZHCSYKTCHREJH-JRGCBEDISA-N 2 2 342.531 3.214 20 0 EGADLP c1sc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc1-c1ccncc1 ZINC000925732204 1325274892 /nfs/dbraw/zinc/27/48/92/1325274892.db2.gz WSRPQXUPMTZUCG-IAGOWNOFSA-N 2 2 342.512 3.463 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792780 1325302884 /nfs/dbraw/zinc/30/28/84/1325302884.db2.gz PYZOYZKZKOMLAR-IRXDYDNUSA-N 2 2 332.488 3.121 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925835048 1325321256 /nfs/dbraw/zinc/32/12/56/1325321256.db2.gz LMJRRNLDWYFGIY-UKRRQHHQSA-N 2 2 338.377 3.022 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926112151 1325432850 /nfs/dbraw/zinc/43/28/50/1325432850.db2.gz MXLWUOTUBSCMDP-ZOBUZTSGSA-N 2 2 329.444 3.244 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926112151 1325432853 /nfs/dbraw/zinc/43/28/53/1325432853.db2.gz MXLWUOTUBSCMDP-ZOBUZTSGSA-N 2 2 329.444 3.244 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(N2CCCC2)n1 ZINC000926121102 1325436122 /nfs/dbraw/zinc/43/61/22/1325436122.db2.gz LMBFIQLIFCFFSQ-RTBURBONSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(N2CCCC2)n1 ZINC000926121102 1325436124 /nfs/dbraw/zinc/43/61/24/1325436124.db2.gz LMBFIQLIFCFFSQ-RTBURBONSA-N 2 2 328.504 3.097 20 0 EGADLP C[C@@H]([NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1)c1ccccc1 ZINC000963955123 1325449899 /nfs/dbraw/zinc/44/98/99/1325449899.db2.gz JIJQIIUJMHSYOW-LSJNQWAISA-N 2 2 340.471 3.073 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000926681940 1327664170 /nfs/dbraw/zinc/66/41/70/1327664170.db2.gz DOJPDVZOPQYVCB-LJQANCHMSA-N 2 2 331.504 3.045 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000926681940 1327664180 /nfs/dbraw/zinc/66/41/80/1327664180.db2.gz DOJPDVZOPQYVCB-LJQANCHMSA-N 2 2 331.504 3.045 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000927052297 1327831158 /nfs/dbraw/zinc/83/11/58/1327831158.db2.gz NEZXTVWSGZLZDY-QXRTWZOPSA-N 2 2 327.428 3.205 20 0 EGADLP C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000927107080 1327867368 /nfs/dbraw/zinc/86/73/68/1327867368.db2.gz BMWUZNCGYNYWJQ-LPHOPBHVSA-N 2 2 338.499 3.298 20 0 EGADLP C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000927107080 1327867371 /nfs/dbraw/zinc/86/73/71/1327867371.db2.gz BMWUZNCGYNYWJQ-LPHOPBHVSA-N 2 2 338.499 3.298 20 0 EGADLP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027629709 1327994606 /nfs/dbraw/zinc/99/46/06/1327994606.db2.gz ZFUHGXXICPWOAH-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027629709 1327994611 /nfs/dbraw/zinc/99/46/11/1327994611.db2.gz ZFUHGXXICPWOAH-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](C[NH2+]Cc1cccnc1Br)C[NH+]1CCCCC1 ZINC000865419743 1329694728 /nfs/dbraw/zinc/69/47/28/1329694728.db2.gz ZDBHJNZTSKWAIT-CYBMUJFWSA-N 2 2 326.282 3.056 20 0 EGADLP CCn1c[nH+]c2c1CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000933256226 1329875298 /nfs/dbraw/zinc/87/52/98/1329875298.db2.gz XKHIPXHCJYZAQP-UHFFFAOYSA-N 2 2 338.499 3.447 20 0 EGADLP CCC[N@H+](CCC(=O)N(C)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189650 1329953728 /nfs/dbraw/zinc/95/37/28/1329953728.db2.gz KZBKPHGVIIKJPT-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP CCC[N@@H+](CCC(=O)N(C)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934189650 1329953729 /nfs/dbraw/zinc/95/37/29/1329953729.db2.gz KZBKPHGVIIKJPT-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1 ZINC000866665814 1330139142 /nfs/dbraw/zinc/13/91/42/1330139142.db2.gz HQFMYRJZAWJUDG-MLGOLLRUSA-N 2 2 344.286 3.107 20 0 EGADLP C[C@H]1C[N@H+](CC2CCCC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184645 1331867857 /nfs/dbraw/zinc/86/78/57/1331867857.db2.gz VUNNYNFHNWZOGF-YOEHRIQHSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184645 1331867862 /nfs/dbraw/zinc/86/78/62/1331867862.db2.gz VUNNYNFHNWZOGF-YOEHRIQHSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485311 1331943684 /nfs/dbraw/zinc/94/36/84/1331943684.db2.gz GZUCMUAOHHELKM-HZPDHXFCSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942485311 1331943686 /nfs/dbraw/zinc/94/36/86/1331943686.db2.gz GZUCMUAOHHELKM-HZPDHXFCSA-N 2 2 342.487 3.211 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC000944445656 1332412953 /nfs/dbraw/zinc/41/29/53/1332412953.db2.gz QIMCCOCMDZHRBI-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C[C@H]1C ZINC000944445656 1332412954 /nfs/dbraw/zinc/41/29/54/1332412954.db2.gz QIMCCOCMDZHRBI-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947441892 1333128861 /nfs/dbraw/zinc/12/88/61/1333128861.db2.gz MDPZDDORJQHKOJ-YJBOKZPZSA-N 2 2 347.503 3.038 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947441892 1333128864 /nfs/dbraw/zinc/12/88/64/1333128864.db2.gz MDPZDDORJQHKOJ-YJBOKZPZSA-N 2 2 347.503 3.038 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1 ZINC000948887402 1333719718 /nfs/dbraw/zinc/71/97/18/1333719718.db2.gz YSJIJJYFLFPRKC-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000948887402 1333719722 /nfs/dbraw/zinc/71/97/22/1333719722.db2.gz YSJIJJYFLFPRKC-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CCC(CC)C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000949523134 1333867039 /nfs/dbraw/zinc/86/70/39/1333867039.db2.gz LBSPPCJTVKUOCO-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000950962599 1334161476 /nfs/dbraw/zinc/16/14/76/1334161476.db2.gz SVACPIBUSYJIEO-MSOLQXFVSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C3C[NH+](CCC(C)(C)C)C3)ccn12 ZINC000969674402 1336235772 /nfs/dbraw/zinc/23/57/72/1336235772.db2.gz NZIWOAOERYJKQL-HNNXBMFYSA-N 2 2 342.487 3.129 20 0 EGADLP CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001007643077 1336681945 /nfs/dbraw/zinc/68/19/45/1336681945.db2.gz XYXFRAVOBVCZEP-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC(C[N@H+]2CCC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001007643077 1336681948 /nfs/dbraw/zinc/68/19/48/1336681948.db2.gz XYXFRAVOBVCZEP-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205912909 1370908948 /nfs/dbraw/zinc/90/89/48/1370908948.db2.gz DUZYLZYBBGKCPD-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205912909 1370908956 /nfs/dbraw/zinc/90/89/56/1370908956.db2.gz DUZYLZYBBGKCPD-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001009345194 1337009576 /nfs/dbraw/zinc/00/95/76/1337009576.db2.gz GHYQJYVJLALDQN-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001009345194 1337009579 /nfs/dbraw/zinc/00/95/79/1337009579.db2.gz GHYQJYVJLALDQN-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1F ZINC001206189538 1370987532 /nfs/dbraw/zinc/98/75/32/1370987532.db2.gz XEDZFFYMONLFTQ-OLZOCXBDSA-N 2 2 340.748 3.500 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206806130 1371174732 /nfs/dbraw/zinc/17/47/32/1371174732.db2.gz FPIKWKBBHVPSEP-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206806130 1371174736 /nfs/dbraw/zinc/17/47/36/1371174736.db2.gz FPIKWKBBHVPSEP-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](CCc3cccc(Br)c3)C[C@@H]2C1 ZINC001207511438 1371419995 /nfs/dbraw/zinc/41/99/95/1371419995.db2.gz QRFNXRKFTIAWRD-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](CCc3cccc(Br)c3)C[C@@H]2C1 ZINC001207511438 1371419999 /nfs/dbraw/zinc/41/99/99/1371419999.db2.gz QRFNXRKFTIAWRD-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](CCc3cccc(Br)c3)C[C@@H]2C1 ZINC001207511438 1371420002 /nfs/dbraw/zinc/42/00/02/1371420002.db2.gz QRFNXRKFTIAWRD-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017663311 1339386765 /nfs/dbraw/zinc/38/67/65/1339386765.db2.gz RALSQQZWTATHIV-CALCHBBNSA-N 2 2 340.471 3.288 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001017663311 1339386769 /nfs/dbraw/zinc/38/67/69/1339386769.db2.gz RALSQQZWTATHIV-CALCHBBNSA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001030313048 1341177910 /nfs/dbraw/zinc/17/79/10/1341177910.db2.gz OGHWLMGDLCWEQM-LJQANCHMSA-N 2 2 343.515 3.203 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030533091 1341195451 /nfs/dbraw/zinc/19/54/51/1341195451.db2.gz DUEOKOAOQQHOIJ-FAFZWHIHSA-N 2 2 349.563 3.124 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030533091 1341195452 /nfs/dbraw/zinc/19/54/52/1341195452.db2.gz DUEOKOAOQQHOIJ-FAFZWHIHSA-N 2 2 349.563 3.124 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001031844265 1341410718 /nfs/dbraw/zinc/41/07/18/1341410718.db2.gz HLJVOCOREJVIDE-MRXNPFEDSA-N 2 2 348.450 3.066 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032632640 1341565301 /nfs/dbraw/zinc/56/53/01/1341565301.db2.gz FRTAWCYUAZHVAX-LLDVTBCESA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032632640 1341565302 /nfs/dbraw/zinc/56/53/02/1341565302.db2.gz FRTAWCYUAZHVAX-LLDVTBCESA-N 2 2 349.906 3.026 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033552880 1341868815 /nfs/dbraw/zinc/86/88/15/1341868815.db2.gz FMPRRMMVLWUXSO-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033552880 1341868816 /nfs/dbraw/zinc/86/88/16/1341868816.db2.gz FMPRRMMVLWUXSO-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001033874300 1342052796 /nfs/dbraw/zinc/05/27/96/1342052796.db2.gz VZSCOQHTJBCBFY-DQPZFDDXSA-N 2 2 340.471 3.145 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001033874300 1342052798 /nfs/dbraw/zinc/05/27/98/1342052798.db2.gz VZSCOQHTJBCBFY-DQPZFDDXSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3C[NH2+]Cc3ccccc3)ccn12 ZINC001034937134 1342843457 /nfs/dbraw/zinc/84/34/57/1342843457.db2.gz DIQAODGLWLCIJS-LJQANCHMSA-N 2 2 348.450 3.037 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962629 1342854777 /nfs/dbraw/zinc/85/47/77/1342854777.db2.gz JQINAXMGCUKMOY-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001034962629 1342854780 /nfs/dbraw/zinc/85/47/80/1342854780.db2.gz JQINAXMGCUKMOY-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C[NH2+]CC1CCC1 ZINC001036559454 1343553539 /nfs/dbraw/zinc/55/35/39/1343553539.db2.gz MCXLORQKKYZLEL-LIRRHRJNSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001036579601 1343563485 /nfs/dbraw/zinc/56/34/85/1343563485.db2.gz PGTBKRIWKUZMMA-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1[NH2+]CC1CC1 ZINC001037885960 1344161192 /nfs/dbraw/zinc/16/11/92/1344161192.db2.gz DCXSBBPTALZEMT-QZTJIDSGSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416764 1344419226 /nfs/dbraw/zinc/41/92/26/1344419226.db2.gz PEHLHIOCHNEAAL-WMLDXEAASA-N 2 2 334.423 3.128 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416764 1344419229 /nfs/dbraw/zinc/41/92/29/1344419229.db2.gz PEHLHIOCHNEAAL-WMLDXEAASA-N 2 2 334.423 3.128 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1C/C=C/c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416878 1344419376 /nfs/dbraw/zinc/41/93/76/1344419376.db2.gz PWHWYAWLEVRUBC-UKTKYZJWSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1C/C=C/c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416878 1344419378 /nfs/dbraw/zinc/41/93/78/1344419378.db2.gz PWHWYAWLEVRUBC-UKTKYZJWSA-N 2 2 346.434 3.080 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220444 1344937810 /nfs/dbraw/zinc/93/78/10/1344937810.db2.gz ACCSUJVIZAGGEV-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220444 1344937813 /nfs/dbraw/zinc/93/78/13/1344937813.db2.gz ACCSUJVIZAGGEV-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223713 1344941242 /nfs/dbraw/zinc/94/12/42/1344941242.db2.gz XZGOUVVQDYBTQH-ZWKOTPCHSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223713 1344941246 /nfs/dbraw/zinc/94/12/46/1344941246.db2.gz XZGOUVVQDYBTQH-ZWKOTPCHSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224932 1344942547 /nfs/dbraw/zinc/94/25/47/1344942547.db2.gz JGWKYBXITXPKFG-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224932 1344942549 /nfs/dbraw/zinc/94/25/49/1344942549.db2.gz JGWKYBXITXPKFG-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235541 1345388454 /nfs/dbraw/zinc/38/84/54/1345388454.db2.gz CVFPUAJPLHOCJH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235541 1345388456 /nfs/dbraw/zinc/38/84/56/1345388456.db2.gz CVFPUAJPLHOCJH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235541 1345388459 /nfs/dbraw/zinc/38/84/59/1345388459.db2.gz CVFPUAJPLHOCJH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235541 1345388461 /nfs/dbraw/zinc/38/84/61/1345388461.db2.gz CVFPUAJPLHOCJH-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264701 1345402205 /nfs/dbraw/zinc/40/22/05/1345402205.db2.gz QEWGYKNMDUYWAL-FQEVSTJZSA-N 2 2 340.471 3.291 20 0 EGADLP CCCC[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001040264701 1345402208 /nfs/dbraw/zinc/40/22/08/1345402208.db2.gz QEWGYKNMDUYWAL-FQEVSTJZSA-N 2 2 340.471 3.291 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001040915201 1345599384 /nfs/dbraw/zinc/59/93/84/1345599384.db2.gz WUESFCDUVZKXPJ-INIZCTEOSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001042546052 1346087842 /nfs/dbraw/zinc/08/78/42/1346087842.db2.gz PWEVUCPTMLAXIG-OXJNMPFZSA-N 2 2 343.515 3.108 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001042546052 1346087844 /nfs/dbraw/zinc/08/78/44/1346087844.db2.gz PWEVUCPTMLAXIG-OXJNMPFZSA-N 2 2 343.515 3.108 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001042546053 1346088142 /nfs/dbraw/zinc/08/81/42/1346088142.db2.gz PWEVUCPTMLAXIG-OXQOHEQNSA-N 2 2 343.515 3.108 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001042546053 1346088145 /nfs/dbraw/zinc/08/81/45/1346088145.db2.gz PWEVUCPTMLAXIG-OXQOHEQNSA-N 2 2 343.515 3.108 20 0 EGADLP CN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+](CCCC2CCCC2)C1 ZINC001043232544 1346156022 /nfs/dbraw/zinc/15/60/22/1346156022.db2.gz KHZGFLJHPFUJAQ-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CCC(CC)C[NH+]1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001044133437 1346257194 /nfs/dbraw/zinc/25/71/94/1346257194.db2.gz AHGAHLMVTCVEPJ-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579691 1346373746 /nfs/dbraw/zinc/37/37/46/1346373746.db2.gz KPSPVOSQTWLYKN-WMZOPIPTSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678823 1346401780 /nfs/dbraw/zinc/40/17/80/1346401780.db2.gz ZFGPGYVVJRCNQB-WBVHZDCISA-N 2 2 340.471 3.107 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044695766 1346405556 /nfs/dbraw/zinc/40/55/56/1346405556.db2.gz YHHBWPFPGQCHOQ-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751456 1346419658 /nfs/dbraw/zinc/41/96/58/1346419658.db2.gz TYCQSIFMGQDVIN-DOTOQJQBSA-N 2 2 346.519 3.138 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001044841880 1346442817 /nfs/dbraw/zinc/44/28/17/1346442817.db2.gz OHRIKMSLUUCAGI-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049554017 1347906559 /nfs/dbraw/zinc/90/65/59/1347906559.db2.gz YVBNCDZDKOIGIL-RBUKOAKNSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049554017 1347906561 /nfs/dbraw/zinc/90/65/61/1347906561.db2.gz YVBNCDZDKOIGIL-RBUKOAKNSA-N 2 2 338.455 3.042 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049757708 1348004079 /nfs/dbraw/zinc/00/40/79/1348004079.db2.gz BMQNSTKSKSUALE-YTQUADARSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001049757708 1348004080 /nfs/dbraw/zinc/00/40/80/1348004080.db2.gz BMQNSTKSKSUALE-YTQUADARSA-N 2 2 346.519 3.336 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759964 1348004945 /nfs/dbraw/zinc/00/49/45/1348004945.db2.gz VCQOAZRNZGGQMN-KZNAEPCWSA-N 2 2 346.519 3.336 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001049759964 1348004947 /nfs/dbraw/zinc/00/49/47/1348004947.db2.gz VCQOAZRNZGGQMN-KZNAEPCWSA-N 2 2 346.519 3.336 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082835 1348903878 /nfs/dbraw/zinc/90/38/78/1348903878.db2.gz HLYBDLXMLSKXKX-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082835 1348903882 /nfs/dbraw/zinc/90/38/82/1348903882.db2.gz HLYBDLXMLSKXKX-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001079961483 1357439069 /nfs/dbraw/zinc/43/90/69/1357439069.db2.gz XIIOAOXBBOFHMP-FOIQADDNSA-N 2 2 348.450 3.122 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001079961483 1357439073 /nfs/dbraw/zinc/43/90/73/1357439073.db2.gz XIIOAOXBBOFHMP-FOIQADDNSA-N 2 2 348.450 3.122 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154397 1349158098 /nfs/dbraw/zinc/15/80/98/1349158098.db2.gz UHQXQZMDZVNCKF-HXUWFJFHSA-N 2 2 340.471 3.291 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001054154397 1349158101 /nfs/dbraw/zinc/15/81/01/1349158101.db2.gz UHQXQZMDZVNCKF-HXUWFJFHSA-N 2 2 340.471 3.291 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001072322607 1355236666 /nfs/dbraw/zinc/23/66/66/1355236666.db2.gz LRHSZIXLSONXCR-KUHUBIRLSA-N 2 2 343.515 3.495 20 0 EGADLP COc1cc(CC[NH2+][C@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC001183238792 1387283355 /nfs/dbraw/zinc/28/33/55/1387283355.db2.gz PBIASKQZRRKIFJ-PXNSSMCTSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cc(CC[NH2+][C@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001183238792 1387283359 /nfs/dbraw/zinc/28/33/59/1387283359.db2.gz PBIASKQZRRKIFJ-PXNSSMCTSA-N 2 2 339.483 3.275 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325914 1363751854 /nfs/dbraw/zinc/75/18/54/1363751854.db2.gz ZYGSTWAGBFFYDD-KRWDZBQOSA-N 2 2 348.535 3.304 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001099325914 1363751857 /nfs/dbraw/zinc/75/18/57/1363751857.db2.gz ZYGSTWAGBFFYDD-KRWDZBQOSA-N 2 2 348.535 3.304 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575314 1387320051 /nfs/dbraw/zinc/32/00/51/1387320051.db2.gz OQSZPACZWKVJKZ-WYTZPYIFSA-N 2 2 346.519 3.094 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001183575072 1387320134 /nfs/dbraw/zinc/32/01/34/1387320134.db2.gz CISJKMLIVDWOMI-UYAOXDASSA-N 2 2 348.535 3.318 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1)n1cc[nH+]c1 ZINC001085045872 1358376793 /nfs/dbraw/zinc/37/67/93/1358376793.db2.gz OMGAVTRZKZQQOZ-KSZLIROESA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1)n1cc[nH+]c1 ZINC001085045872 1358376797 /nfs/dbraw/zinc/37/67/97/1358376797.db2.gz OMGAVTRZKZQQOZ-KSZLIROESA-N 2 2 346.519 3.193 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001085244553 1358443332 /nfs/dbraw/zinc/44/33/32/1358443332.db2.gz JYEHAAFNILTMGY-RTBURBONSA-N 2 2 348.450 3.394 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086920407 1359247439 /nfs/dbraw/zinc/24/74/39/1359247439.db2.gz NXBSDHJWNVTEBC-SJORKVTESA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCC1CCCC1 ZINC001087610102 1359553640 /nfs/dbraw/zinc/55/36/40/1359553640.db2.gz RVGCTZGCUCREPP-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCC1CCCC1 ZINC001087610102 1359553644 /nfs/dbraw/zinc/55/36/44/1359553644.db2.gz RVGCTZGCUCREPP-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCC1CCCC1 ZINC001087610102 1359553658 /nfs/dbraw/zinc/55/36/58/1359553658.db2.gz RVGCTZGCUCREPP-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCC1CCCC1 ZINC001087610102 1359553661 /nfs/dbraw/zinc/55/36/61/1359553661.db2.gz RVGCTZGCUCREPP-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658973 1360570889 /nfs/dbraw/zinc/57/08/89/1360570889.db2.gz QBUMOZLFDVEDRE-MRXNPFEDSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658973 1360570891 /nfs/dbraw/zinc/57/08/91/1360570891.db2.gz QBUMOZLFDVEDRE-MRXNPFEDSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693459 1360598883 /nfs/dbraw/zinc/59/88/83/1360598883.db2.gz KVABXECBIVMCSD-HOTGVXAUSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693459 1360598887 /nfs/dbraw/zinc/59/88/87/1360598887.db2.gz KVABXECBIVMCSD-HOTGVXAUSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184533583 1387485936 /nfs/dbraw/zinc/48/59/36/1387485936.db2.gz GZJRXMRHFGASRU-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184533583 1387485938 /nfs/dbraw/zinc/48/59/38/1387485938.db2.gz GZJRXMRHFGASRU-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184654393 1387504183 /nfs/dbraw/zinc/50/41/83/1387504183.db2.gz WCQBZLPSPSPWPD-CVEARBPZSA-N 2 2 342.487 3.297 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449601 1361805628 /nfs/dbraw/zinc/80/56/28/1361805628.db2.gz RMIVAWFUMPUUJB-UYAOXDASSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001094449601 1361805632 /nfs/dbraw/zinc/80/56/32/1361805632.db2.gz RMIVAWFUMPUUJB-UYAOXDASSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCCF)[C@H](C)C2)c(C)[nH+]1 ZINC001184851058 1387549128 /nfs/dbraw/zinc/54/91/28/1387549128.db2.gz JIJUYARFAIJGJJ-PBHICJAKSA-N 2 2 335.467 3.054 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@H](C)C2)c(C)[nH+]1 ZINC001184852846 1387549446 /nfs/dbraw/zinc/54/94/46/1387549446.db2.gz XFPVSYVVSJZBNX-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP CCC[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098822390 1363482746 /nfs/dbraw/zinc/48/27/46/1363482746.db2.gz YSIJLGOFMAFKGT-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106475 1363624898 /nfs/dbraw/zinc/62/48/98/1363624898.db2.gz GSXOAWKSLWURBN-QWNKOJSDSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106475 1363624899 /nfs/dbraw/zinc/62/48/99/1363624899.db2.gz GSXOAWKSLWURBN-QWNKOJSDSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106475 1363624901 /nfs/dbraw/zinc/62/49/01/1363624901.db2.gz GSXOAWKSLWURBN-QWNKOJSDSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106475 1363624904 /nfs/dbraw/zinc/62/49/04/1363624904.db2.gz GSXOAWKSLWURBN-QWNKOJSDSA-N 2 2 346.519 3.305 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500179 1364137023 /nfs/dbraw/zinc/13/70/23/1364137023.db2.gz AHIQGYCNVNSSQG-PLNGDYQASA-N 2 2 340.471 3.179 20 0 EGADLP C[C@@H](CC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001100715534 1364232631 /nfs/dbraw/zinc/23/26/31/1364232631.db2.gz PIXXEWFXUAFTBJ-IVMQYODDSA-N 2 2 346.519 3.289 20 0 EGADLP C[C@H](CC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001100716713 1364233229 /nfs/dbraw/zinc/23/32/29/1364233229.db2.gz NDMOQFUOAKINDG-IPJUCJBFSA-N 2 2 344.503 3.209 20 0 EGADLP CC(C)(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579357 1364631821 /nfs/dbraw/zinc/63/18/21/1364631821.db2.gz DHVJKCRWLNKEBQ-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1)n1cc[nH+]c1 ZINC001101579703 1364632791 /nfs/dbraw/zinc/63/27/91/1364632791.db2.gz RSJRHNRXAGPDBO-MRXNPFEDSA-N 2 2 346.519 3.099 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001101581091 1364633600 /nfs/dbraw/zinc/63/36/00/1364633600.db2.gz IFLRCOODUMMDPA-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001101581091 1364633602 /nfs/dbraw/zinc/63/36/02/1364633602.db2.gz IFLRCOODUMMDPA-INIZCTEOSA-N 2 2 348.535 3.243 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290187 1365475899 /nfs/dbraw/zinc/47/58/99/1365475899.db2.gz CHUYBJRKKNCGOO-ASIGSXEYSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290187 1365475902 /nfs/dbraw/zinc/47/59/02/1365475902.db2.gz CHUYBJRKKNCGOO-ASIGSXEYSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001324867743 1387797188 /nfs/dbraw/zinc/79/71/88/1387797188.db2.gz DLFHLGTVPMIXFO-KRWDZBQOSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001324867743 1387797190 /nfs/dbraw/zinc/79/71/90/1387797190.db2.gz DLFHLGTVPMIXFO-KRWDZBQOSA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566510 1366534918 /nfs/dbraw/zinc/53/49/18/1366534918.db2.gz OKKUDRFGJHOLLV-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566932 1366535228 /nfs/dbraw/zinc/53/52/28/1366535228.db2.gz ZNJLSFFUBVIDBY-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567955 1366535654 /nfs/dbraw/zinc/53/56/54/1366535654.db2.gz BKXHPUFKUMDQQR-SJLPKXTDSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567955 1366535656 /nfs/dbraw/zinc/53/56/56/1366535656.db2.gz BKXHPUFKUMDQQR-SJLPKXTDSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455387 1366701032 /nfs/dbraw/zinc/70/10/32/1366701032.db2.gz QRCXVVWSARXPQK-CRAIPNDOSA-N 2 2 329.488 3.271 20 0 EGADLP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)c2ccccc2-n2cc[nH+]c2)CC1 ZINC001190114667 1367176156 /nfs/dbraw/zinc/17/61/56/1367176156.db2.gz RINRKFYTLLSXEW-CALCHBBNSA-N 2 2 340.471 3.255 20 0 EGADLP CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177090 1367191276 /nfs/dbraw/zinc/19/12/76/1367191276.db2.gz PKZSNJPCRCLELP-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177090 1367191281 /nfs/dbraw/zinc/19/12/81/1367191281.db2.gz PKZSNJPCRCLELP-SFHVURJKSA-N 2 2 342.487 3.369 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818881 1367359895 /nfs/dbraw/zinc/35/98/95/1367359895.db2.gz SZWDQVKEMSQCJF-OALUTQOASA-N 2 2 348.535 3.439 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190818881 1367359900 /nfs/dbraw/zinc/35/99/00/1367359900.db2.gz SZWDQVKEMSQCJF-OALUTQOASA-N 2 2 348.535 3.439 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001111077910 1368152828 /nfs/dbraw/zinc/15/28/28/1368152828.db2.gz BURNSLQBDPNPMK-OWYHZJEWSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001111077910 1368152834 /nfs/dbraw/zinc/15/28/34/1368152834.db2.gz BURNSLQBDPNPMK-OWYHZJEWSA-N 2 2 344.503 3.136 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2)n1cc[nH+]c1 ZINC001111784310 1368460569 /nfs/dbraw/zinc/46/05/69/1368460569.db2.gz DNSSRXIIVLMLLL-BJLQDIEVSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)C)C2)n1cc[nH+]c1 ZINC001111784310 1368460571 /nfs/dbraw/zinc/46/05/71/1368460571.db2.gz DNSSRXIIVLMLLL-BJLQDIEVSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288054 1368584496 /nfs/dbraw/zinc/58/44/96/1368584496.db2.gz LZRVCIRNKGQOHM-INIZCTEOSA-N 2 2 342.487 3.393 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196288054 1368584498 /nfs/dbraw/zinc/58/44/98/1368584498.db2.gz LZRVCIRNKGQOHM-INIZCTEOSA-N 2 2 342.487 3.393 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125885 1368749685 /nfs/dbraw/zinc/74/96/85/1368749685.db2.gz NYJIGAFWVKJLBF-LAQIPUCWSA-N 2 2 344.503 3.110 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125885 1368749689 /nfs/dbraw/zinc/74/96/89/1368749689.db2.gz NYJIGAFWVKJLBF-LAQIPUCWSA-N 2 2 344.503 3.110 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197283479 1368779734 /nfs/dbraw/zinc/77/97/34/1368779734.db2.gz NMOOHUFDTNLKCV-XFHJGTJQSA-N 2 2 332.492 3.115 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197283479 1368779739 /nfs/dbraw/zinc/77/97/39/1368779739.db2.gz NMOOHUFDTNLKCV-XFHJGTJQSA-N 2 2 332.492 3.115 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3cnc([C@@H]4CCCO4)s3)cc2)c[nH+]1 ZINC001199896789 1369286878 /nfs/dbraw/zinc/28/68/78/1369286878.db2.gz QGZMUDONKNDBHN-KRWDZBQOSA-N 2 2 340.452 3.470 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+](Cc2cc(C)cc(C)c2)CC1)[NH+](CC)CC ZINC001113337232 1369357315 /nfs/dbraw/zinc/35/73/15/1369357315.db2.gz SDGZLLMVSHNIIX-FQEVSTJZSA-N 2 2 345.531 3.068 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529070 1369480002 /nfs/dbraw/zinc/48/00/02/1369480002.db2.gz CAJMJIXMCCYRRO-HXUWFJFHSA-N 2 2 345.531 3.404 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529070 1369480005 /nfs/dbraw/zinc/48/00/05/1369480005.db2.gz CAJMJIXMCCYRRO-HXUWFJFHSA-N 2 2 345.531 3.404 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183042 1369491560 /nfs/dbraw/zinc/49/15/60/1369491560.db2.gz RXRLNFRJUQWQPU-AEFFLSMTSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)=CC[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182049 1369491863 /nfs/dbraw/zinc/49/18/63/1369491863.db2.gz ABYJIIJHVLRUSK-SFHVURJKSA-N 2 2 332.492 3.017 20 0 EGADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](CCc4ccccc4)CC3)C2)co1 ZINC001201596849 1369585495 /nfs/dbraw/zinc/58/54/95/1369585495.db2.gz NRAUGEGUOYNNMX-UHFFFAOYSA-N 2 2 340.467 3.189 20 0 EGADLP c1cc(C[N@H+]2CCOC3(CC[NH+](CCc4ccccc4)CC3)C2)co1 ZINC001201596849 1369585498 /nfs/dbraw/zinc/58/54/98/1369585498.db2.gz NRAUGEGUOYNNMX-UHFFFAOYSA-N 2 2 340.467 3.189 20 0 EGADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)o1 ZINC001203187121 1370016210 /nfs/dbraw/zinc/01/62/10/1370016210.db2.gz FNBIJOZYXMXNOH-HNNXBMFYSA-N 2 2 347.484 3.054 20 0 EGADLP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccsc4)CC3)C2)co1 ZINC001204036053 1370355585 /nfs/dbraw/zinc/35/55/85/1370355585.db2.gz KAZHFWSMRAMYSB-UHFFFAOYSA-N 2 2 332.469 3.208 20 0 EGADLP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccsc4)CC3)C2)co1 ZINC001204036053 1370355591 /nfs/dbraw/zinc/35/55/91/1370355591.db2.gz KAZHFWSMRAMYSB-UHFFFAOYSA-N 2 2 332.469 3.208 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001204152708 1370391548 /nfs/dbraw/zinc/39/15/48/1370391548.db2.gz OGZVVNNCJICOEZ-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001204152708 1370391553 /nfs/dbraw/zinc/39/15/53/1370391553.db2.gz OGZVVNNCJICOEZ-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001204509816 1370498253 /nfs/dbraw/zinc/49/82/53/1370498253.db2.gz QELMCWFCGYHANO-QZTJIDSGSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575370 1370521452 /nfs/dbraw/zinc/52/14/52/1370521452.db2.gz ZSUVTWKIQBVGPF-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575370 1370521457 /nfs/dbraw/zinc/52/14/57/1370521457.db2.gz ZSUVTWKIQBVGPF-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575370 1370521462 /nfs/dbraw/zinc/52/14/62/1370521462.db2.gz ZSUVTWKIQBVGPF-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575370 1370521468 /nfs/dbraw/zinc/52/14/68/1370521468.db2.gz ZSUVTWKIQBVGPF-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(-c4ccccc4Cl)o3)C2)CC1 ZINC001204745961 1370563369 /nfs/dbraw/zinc/56/33/69/1370563369.db2.gz MMMPFWOUCPMYDB-UHFFFAOYSA-N 2 2 345.874 3.032 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115567138 1370568268 /nfs/dbraw/zinc/56/82/68/1370568268.db2.gz QVJOLEQXDWCNPY-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CCCC2CCC2)CCCCC1 ZINC001115567138 1370568271 /nfs/dbraw/zinc/56/82/71/1370568271.db2.gz QVJOLEQXDWCNPY-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP CCC[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583784 1370585389 /nfs/dbraw/zinc/58/53/89/1370585389.db2.gz YLLGLDFCDXMHKV-QGZVFWFLSA-N 2 2 334.508 3.289 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204903774 1370601340 /nfs/dbraw/zinc/60/13/40/1370601340.db2.gz DMVMBDSWAVISRU-HXUWFJFHSA-N 2 2 337.467 3.386 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3C[C@@H]([NH3+])C4(CC4)C3)cc2)cc1 ZINC001204903774 1370601346 /nfs/dbraw/zinc/60/13/46/1370601346.db2.gz DMVMBDSWAVISRU-HXUWFJFHSA-N 2 2 337.467 3.386 20 0 EGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001204945906 1370612125 /nfs/dbraw/zinc/61/21/25/1370612125.db2.gz KFPKIEWGWLHHQV-INIZCTEOSA-N 2 2 334.261 3.311 20 0 EGADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001204945906 1370612123 /nfs/dbraw/zinc/61/21/23/1370612123.db2.gz KFPKIEWGWLHHQV-INIZCTEOSA-N 2 2 334.261 3.311 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001205008887 1370626993 /nfs/dbraw/zinc/62/69/93/1370626993.db2.gz GKGMVADEDUZEQG-LBPRGKRZSA-N 2 2 336.277 3.362 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)C1 ZINC001205008887 1370626998 /nfs/dbraw/zinc/62/69/98/1370626998.db2.gz GKGMVADEDUZEQG-LBPRGKRZSA-N 2 2 336.277 3.362 20 0 EGADLP COCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640742 1370632070 /nfs/dbraw/zinc/63/20/70/1370632070.db2.gz LCKBPEBIKBOGPQ-UHFFFAOYSA-N 2 2 347.503 3.066 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2ccc(Br)c(Cl)c2F)CC1 ZINC001205054171 1370638903 /nfs/dbraw/zinc/63/89/03/1370638903.db2.gz YPXXHYTYFJYZBW-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205272941 1370703335 /nfs/dbraw/zinc/70/33/35/1370703335.db2.gz AUXUNZDTUFDCCK-HXUWFJFHSA-N 2 2 343.446 3.099 20 0 EGADLP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205272941 1370703341 /nfs/dbraw/zinc/70/33/41/1370703341.db2.gz AUXUNZDTUFDCCK-HXUWFJFHSA-N 2 2 343.446 3.099 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303988 1370714043 /nfs/dbraw/zinc/71/40/43/1370714043.db2.gz MHOHSBUCOXFZKO-CHWSQXEVSA-N 2 2 338.546 3.313 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205303988 1370714049 /nfs/dbraw/zinc/71/40/49/1370714049.db2.gz MHOHSBUCOXFZKO-CHWSQXEVSA-N 2 2 338.546 3.313 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205303967 1370714116 /nfs/dbraw/zinc/71/41/16/1370714116.db2.gz LWAKMAQMILFEBN-WDEREUQCSA-N 2 2 331.323 3.490 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205303967 1370714121 /nfs/dbraw/zinc/71/41/21/1370714121.db2.gz LWAKMAQMILFEBN-WDEREUQCSA-N 2 2 331.323 3.490 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765814 1370750504 /nfs/dbraw/zinc/75/05/04/1370750504.db2.gz GYFVIHMCNFPPTD-MRXNPFEDSA-N 2 2 348.535 3.433 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765814 1370750508 /nfs/dbraw/zinc/75/05/08/1370750508.db2.gz GYFVIHMCNFPPTD-MRXNPFEDSA-N 2 2 348.535 3.433 20 0 EGADLP CCC(CC)(CNC(=O)[C@@H](C)n1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1 ZINC001116036613 1370824790 /nfs/dbraw/zinc/82/47/90/1370824790.db2.gz LKFLCHCBFINPBW-IAGOWNOFSA-N 2 2 342.487 3.470 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC001116066313 1370830219 /nfs/dbraw/zinc/83/02/19/1370830219.db2.gz CDGZZWBFOWSNLJ-DYVFJYSZSA-N 2 2 328.416 3.110 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)CCC1(F)F ZINC001205781275 1370867749 /nfs/dbraw/zinc/86/77/49/1370867749.db2.gz VOQJBTCDEZGNOL-CQSZACIVSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(F)cc3)n2)CCC1(F)F ZINC001205781275 1370867752 /nfs/dbraw/zinc/86/77/52/1370867752.db2.gz VOQJBTCDEZGNOL-CQSZACIVSA-N 2 2 335.373 3.304 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814351 1370880855 /nfs/dbraw/zinc/88/08/55/1370880855.db2.gz CCTWSQQHXZGVEO-ZBFHGGJFSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814351 1370880857 /nfs/dbraw/zinc/88/08/57/1370880857.db2.gz CCTWSQQHXZGVEO-ZBFHGGJFSA-N 2 2 328.456 3.416 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205917448 1370910295 /nfs/dbraw/zinc/91/02/95/1370910295.db2.gz YRTZYSQNVLNCOD-QWHCGFSZSA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205917448 1370910300 /nfs/dbraw/zinc/91/03/00/1370910300.db2.gz YRTZYSQNVLNCOD-QWHCGFSZSA-N 2 2 338.546 3.456 20 0 EGADLP CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116637123 1370949882 /nfs/dbraw/zinc/94/98/82/1370949882.db2.gz MEHWLZJUWXCALD-CRAIPNDOSA-N 2 2 342.443 3.500 20 0 EGADLP CCC(CC)[N@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001206069550 1370952898 /nfs/dbraw/zinc/95/28/98/1370952898.db2.gz LIYTURIWXADUFQ-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP CCC(CC)[N@@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001206069550 1370952900 /nfs/dbraw/zinc/95/29/00/1370952900.db2.gz LIYTURIWXADUFQ-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1F ZINC001206189538 1370987529 /nfs/dbraw/zinc/98/75/29/1370987529.db2.gz XEDZFFYMONLFTQ-OLZOCXBDSA-N 2 2 340.748 3.500 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)cc1Br ZINC001206213859 1370995267 /nfs/dbraw/zinc/99/52/67/1370995267.db2.gz WAXARIJSSBZPNE-LSDHHAIUSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)cc1Br ZINC001206213859 1370995270 /nfs/dbraw/zinc/99/52/70/1370995270.db2.gz WAXARIJSSBZPNE-LSDHHAIUSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(N2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)c2ccccc2[nH+]1 ZINC001206285921 1371012765 /nfs/dbraw/zinc/01/27/65/1371012765.db2.gz PJVDHVHISBDDRC-SFHVURJKSA-N 3 2 338.499 3.197 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC001206563693 1371094274 /nfs/dbraw/zinc/09/42/74/1371094274.db2.gz HIQONMPCZZAEHR-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC001206563693 1371094279 /nfs/dbraw/zinc/09/42/79/1371094279.db2.gz HIQONMPCZZAEHR-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC001118058521 1371126859 /nfs/dbraw/zinc/12/68/59/1371126859.db2.gz KSOHKOXVMHFKBA-UXPWSPDFSA-N 2 2 326.488 3.410 20 0 EGADLP Cc1cccc2c1CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206674745 1371128984 /nfs/dbraw/zinc/12/89/84/1371128984.db2.gz VPBZHUSWXISZPT-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cc1cccc2c1CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC001206674745 1371128985 /nfs/dbraw/zinc/12/89/85/1371128985.db2.gz VPBZHUSWXISZPT-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP c1[nH+]c(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)n2ccccc12 ZINC001207055416 1371279621 /nfs/dbraw/zinc/27/96/21/1371279621.db2.gz WTUYFKJCTDHZGV-UHFFFAOYSA-N 2 2 332.451 3.141 20 0 EGADLP Cc1nccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001207169006 1371317868 /nfs/dbraw/zinc/31/78/68/1371317868.db2.gz QABKHCGIFVLUQR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1nccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001207169006 1371317872 /nfs/dbraw/zinc/31/78/72/1371317872.db2.gz QABKHCGIFVLUQR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1nccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001207169006 1371317877 /nfs/dbraw/zinc/31/78/77/1371317877.db2.gz QABKHCGIFVLUQR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1nccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001207169006 1371317878 /nfs/dbraw/zinc/31/78/78/1371317878.db2.gz QABKHCGIFVLUQR-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP COc1cccc2cc(C[NH+]3CCC([NH2+]C4CCOCC4)CC3)oc21 ZINC001119516690 1371360725 /nfs/dbraw/zinc/36/07/25/1371360725.db2.gz GPROHWKWAPPBFJ-UHFFFAOYSA-N 2 2 344.455 3.174 20 0 EGADLP Clc1cccc([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC001119610628 1371374950 /nfs/dbraw/zinc/37/49/50/1371374950.db2.gz BETQESSNKPAVMK-AEFFLSMTSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1cccc([C@@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC001119610628 1371374951 /nfs/dbraw/zinc/37/49/51/1371374951.db2.gz BETQESSNKPAVMK-AEFFLSMTSA-N 2 2 345.878 3.193 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](CCc3cccc(Br)c3)C[C@@H]2C1 ZINC001207511438 1371419994 /nfs/dbraw/zinc/41/99/94/1371419994.db2.gz QRFNXRKFTIAWRD-IYBDPMFKSA-N 2 2 337.305 3.265 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC001120239698 1371510998 /nfs/dbraw/zinc/51/09/98/1371510998.db2.gz BXHXVNMYRHZPBP-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413958 1371565700 /nfs/dbraw/zinc/56/57/00/1371565700.db2.gz QSISDUNMBRSPGF-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001120413958 1371565704 /nfs/dbraw/zinc/56/57/04/1371565704.db2.gz QSISDUNMBRSPGF-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCCC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048208 1371579454 /nfs/dbraw/zinc/57/94/54/1371579454.db2.gz DKJREOBBHBTEET-SFHVURJKSA-N 2 2 342.487 3.417 20 0 EGADLP c1cnn(CCC[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001208076166 1371589088 /nfs/dbraw/zinc/58/90/88/1371589088.db2.gz XYQRZEYEFXOCRG-UHFFFAOYSA-N 2 2 347.422 3.280 20 0 EGADLP Cc1ccc([C@@H](C)CC[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC001208155105 1371611880 /nfs/dbraw/zinc/61/18/80/1371611880.db2.gz IVAGLSMTLCJSEB-AWEZNQCLSA-N 2 2 328.460 3.311 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386288 1371746812 /nfs/dbraw/zinc/74/68/12/1371746812.db2.gz AZOJGDOEPSSUEK-ROUUACIJSA-N 2 2 334.508 3.097 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001208411171 1371757642 /nfs/dbraw/zinc/75/76/42/1371757642.db2.gz OLGXFXKVQKEAJV-FUHWJXTLSA-N 2 2 348.535 3.189 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](CCOCCOCc2ccccc2)CC1 ZINC001208754427 1371884254 /nfs/dbraw/zinc/88/42/54/1371884254.db2.gz UGWLIZXRMQIUHA-UHFFFAOYSA-N 2 2 346.515 3.170 20 0 EGADLP CC(C)[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209140902 1372011527 /nfs/dbraw/zinc/01/15/27/1372011527.db2.gz DHZLCEDOHNSTOY-UHFFFAOYSA-N 2 2 327.513 3.048 20 0 EGADLP CC(C)[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209140902 1372011530 /nfs/dbraw/zinc/01/15/30/1372011530.db2.gz DHZLCEDOHNSTOY-UHFFFAOYSA-N 2 2 327.513 3.048 20 0 EGADLP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209447700 1372107934 /nfs/dbraw/zinc/10/79/34/1372107934.db2.gz CQRAGFPCMAEOIG-IBGZPJMESA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209447700 1372107939 /nfs/dbraw/zinc/10/79/39/1372107939.db2.gz CQRAGFPCMAEOIG-IBGZPJMESA-N 2 2 339.524 3.242 20 0 EGADLP COc1cccc(C(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC001209450460 1372108936 /nfs/dbraw/zinc/10/89/36/1372108936.db2.gz RNSHGWADBSVDPE-UHFFFAOYSA-N 2 2 344.499 3.466 20 0 EGADLP CC[C@@H](C[N@H+](C(C)C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC001209471775 1372114917 /nfs/dbraw/zinc/11/49/17/1372114917.db2.gz DADBVOOCIJNWPB-HNNXBMFYSA-N 2 2 327.513 3.094 20 0 EGADLP CC[C@@H](C[N@@H+](C(C)C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC001209471775 1372114922 /nfs/dbraw/zinc/11/49/22/1372114922.db2.gz DADBVOOCIJNWPB-HNNXBMFYSA-N 2 2 327.513 3.094 20 0 EGADLP CC(C)(C)[C@@H]([NH3+])CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001122049890 1372162213 /nfs/dbraw/zinc/16/22/13/1372162213.db2.gz MLHOZDBXYXVHMA-KRWDZBQOSA-N 2 2 338.455 3.304 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnccn3)C[C@@H]21 ZINC001209780771 1372195374 /nfs/dbraw/zinc/19/53/74/1372195374.db2.gz DLRPNNNQXPWPQN-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnccn3)C[C@@H]21 ZINC001209780771 1372195376 /nfs/dbraw/zinc/19/53/76/1372195376.db2.gz DLRPNNNQXPWPQN-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnccn3)C[C@@H]21 ZINC001209780771 1372195378 /nfs/dbraw/zinc/19/53/78/1372195378.db2.gz DLRPNNNQXPWPQN-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnccn3)C[C@@H]21 ZINC001209780771 1372195383 /nfs/dbraw/zinc/19/53/83/1372195383.db2.gz DLRPNNNQXPWPQN-AYOQOUSVSA-N 2 2 342.512 3.271 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209865770 1372216867 /nfs/dbraw/zinc/21/68/67/1372216867.db2.gz JPWGFOUNBPLBGR-HQYUYXFKSA-N 2 2 332.492 3.161 20 0 EGADLP c1ccc(Nc2c[nH+]ccc2N2CCCC2)c(C[NH+]2CCOCC2)c1 ZINC001209926799 1372232205 /nfs/dbraw/zinc/23/22/05/1372232205.db2.gz HTRBVPIGCYGOER-UHFFFAOYSA-N 2 2 338.455 3.258 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[NH2+][C@@H](C)CC3)o2)cc1 ZINC001210475056 1372361950 /nfs/dbraw/zinc/36/19/50/1372361950.db2.gz KUJBMGCPVQRHAJ-HNNXBMFYSA-N 2 2 342.439 3.307 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[NH2+][C@@H](C)CC3)o2)cc1 ZINC001210475056 1372361953 /nfs/dbraw/zinc/36/19/53/1372361953.db2.gz KUJBMGCPVQRHAJ-HNNXBMFYSA-N 2 2 342.439 3.307 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001124773512 1372729831 /nfs/dbraw/zinc/72/98/31/1372729831.db2.gz ZMUWQITXBYCQIV-GOSISDBHSA-N 2 2 346.434 3.333 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001124773512 1372729833 /nfs/dbraw/zinc/72/98/33/1372729833.db2.gz ZMUWQITXBYCQIV-GOSISDBHSA-N 2 2 346.434 3.333 20 0 EGADLP Nc1cc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc[nH+]1 ZINC001326515530 1388226547 /nfs/dbraw/zinc/22/65/47/1388226547.db2.gz ZMKKTFUCPWHZAB-ZDUSSCGKSA-N 2 2 335.814 3.100 20 0 EGADLP Cc1ccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)c(C)c1 ZINC001214672286 1373100144 /nfs/dbraw/zinc/10/01/44/1373100144.db2.gz WACQVMJMPHFFNS-UHFFFAOYSA-N 2 2 349.438 3.167 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706203 1373233894 /nfs/dbraw/zinc/23/38/94/1373233894.db2.gz ZACJRKYEWXELIK-YQHFMZHWSA-N 2 2 332.492 3.017 20 0 EGADLP Nc1cc[nH+]c(-c2cc(Nc3c[nH+]cn3Cc3ccccc3)ccn2)c1 ZINC001216549840 1373315696 /nfs/dbraw/zinc/31/56/96/1373315696.db2.gz XBFRMHVGRBHMGE-UHFFFAOYSA-N 2 2 342.406 3.136 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001216993376 1373377068 /nfs/dbraw/zinc/37/70/68/1373377068.db2.gz BOSKSLHXWVUTHN-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3ccc4c[nH+]cn4c3)n2)c[nH+]1 ZINC001217344962 1373428684 /nfs/dbraw/zinc/42/86/84/1373428684.db2.gz JJIXVCCQGSORRJ-UHFFFAOYSA-N 2 2 328.335 3.237 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001130001516 1373444789 /nfs/dbraw/zinc/44/47/89/1373444789.db2.gz RALADUCWTIAAHD-QGZVFWFLSA-N 2 2 348.878 3.030 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@H](C)c2ccccc2Cl)c[nH+]1 ZINC001130166291 1373467316 /nfs/dbraw/zinc/46/73/16/1373467316.db2.gz FGZLRCYKQYCEGV-CQSZACIVSA-N 2 2 348.878 3.047 20 0 EGADLP CCCOc1ccc(-c2nnc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217703777 1373490816 /nfs/dbraw/zinc/49/08/16/1373490816.db2.gz BDYNLSJHWHOYBZ-MRXNPFEDSA-N 2 2 342.443 3.072 20 0 EGADLP Cc1ccc(N2CCC[C@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)[nH+]c1 ZINC001217914506 1373512284 /nfs/dbraw/zinc/51/22/84/1373512284.db2.gz ZJDWTWSHRLZJQH-FQEVSTJZSA-N 2 2 337.467 3.221 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccccc2-c2nccs2)cc1 ZINC001219406776 1373707862 /nfs/dbraw/zinc/70/78/62/1373707862.db2.gz HPNCJRXNNOWKPA-HNNXBMFYSA-N 2 2 338.436 3.021 20 0 EGADLP CCOc1ncc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222173577 1373818519 /nfs/dbraw/zinc/81/85/19/1373818519.db2.gz VJJHFVVODMILBK-IBGZPJMESA-N 2 2 335.467 3.365 20 0 EGADLP CCOc1ncc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1F ZINC001222173577 1373818526 /nfs/dbraw/zinc/81/85/26/1373818526.db2.gz VJJHFVVODMILBK-IBGZPJMESA-N 2 2 335.467 3.365 20 0 EGADLP O=C(NCC[NH2+]CCC1=CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131975678 1375078787 /nfs/dbraw/zinc/07/87/87/1375078787.db2.gz AFCVYKGMDDGEOU-UHFFFAOYSA-N 2 2 338.455 3.082 20 0 EGADLP CCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125787 1375159652 /nfs/dbraw/zinc/15/96/52/1375159652.db2.gz YPWKQSLEAZKLGT-DLBZAZTESA-N 2 2 334.508 3.086 20 0 EGADLP CCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125787 1375159654 /nfs/dbraw/zinc/15/96/54/1375159654.db2.gz YPWKQSLEAZKLGT-DLBZAZTESA-N 2 2 334.508 3.086 20 0 EGADLP CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226972871 1375374654 /nfs/dbraw/zinc/37/46/54/1375374654.db2.gz GYQXNRTVFCVFGZ-KURKYZTESA-N 2 2 334.508 3.287 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458182 1375401088 /nfs/dbraw/zinc/40/10/88/1375401088.db2.gz QXMYEQAUUSPTDD-XXCOWLKOSA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001132458182 1375401091 /nfs/dbraw/zinc/40/10/91/1375401091.db2.gz QXMYEQAUUSPTDD-XXCOWLKOSA-N 2 2 346.519 3.068 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C/C=C/Cl)c(C)[nH+]1 ZINC001227637496 1375457814 /nfs/dbraw/zinc/45/78/14/1375457814.db2.gz XWLOZSXMQIRVRE-HKFHSAMXSA-N 2 2 335.879 3.390 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229038470 1375749524 /nfs/dbraw/zinc/74/95/24/1375749524.db2.gz VZVXKWZTVUNLEW-CGTJXYLNSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC001229038470 1375749528 /nfs/dbraw/zinc/74/95/28/1375749528.db2.gz VZVXKWZTVUNLEW-CGTJXYLNSA-N 2 2 348.535 3.432 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133245398 1375866255 /nfs/dbraw/zinc/86/62/55/1375866255.db2.gz DJSLIPASKRRVOJ-KGVXHEBISA-N 2 2 346.519 3.118 20 0 EGADLP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001133398334 1375982531 /nfs/dbraw/zinc/98/25/31/1375982531.db2.gz QRMHSKMEECUHTI-UHFFFAOYSA-N 2 2 348.878 3.024 20 0 EGADLP CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001133398334 1375982539 /nfs/dbraw/zinc/98/25/39/1375982539.db2.gz QRMHSKMEECUHTI-UHFFFAOYSA-N 2 2 348.878 3.024 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434482 1376030008 /nfs/dbraw/zinc/03/00/08/1376030008.db2.gz KUFPHMYQBRBYOR-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606327 1376098179 /nfs/dbraw/zinc/09/81/79/1376098179.db2.gz VWSHPBFYGLOFCC-RTLBZRNLSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001230606327 1376098182 /nfs/dbraw/zinc/09/81/82/1376098182.db2.gz VWSHPBFYGLOFCC-RTLBZRNLSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)cc1C ZINC001134230713 1376424894 /nfs/dbraw/zinc/42/48/94/1376424894.db2.gz YCBGUGVFDXQEDM-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC3CCCC3)ccn12 ZINC001134369274 1376497997 /nfs/dbraw/zinc/49/79/97/1376497997.db2.gz JHVHQGQAJZWXLS-CABCVRRESA-N 2 2 342.487 3.319 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(C(F)(F)F)nc3Cl)C2)CC1 ZINC001232793621 1376514899 /nfs/dbraw/zinc/51/48/99/1376514899.db2.gz FBLGBJWEXJJMJT-UHFFFAOYSA-N 2 2 333.785 3.281 20 0 EGADLP COc1ncc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2ccccc21 ZINC001232947205 1376545337 /nfs/dbraw/zinc/54/53/37/1376545337.db2.gz XKUCQGNBKKGXPU-UHFFFAOYSA-N 2 2 325.456 3.304 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545037 1376583849 /nfs/dbraw/zinc/58/38/49/1376583849.db2.gz KRHXIVREPBACLD-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545037 1376583852 /nfs/dbraw/zinc/58/38/52/1376583852.db2.gz KRHXIVREPBACLD-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)c1 ZINC001134544925 1376584426 /nfs/dbraw/zinc/58/44/26/1376584426.db2.gz KDAFPMJYDQQQMY-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)c1 ZINC001134544925 1376584427 /nfs/dbraw/zinc/58/44/27/1376584427.db2.gz KDAFPMJYDQQQMY-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134543712 1376584438 /nfs/dbraw/zinc/58/44/38/1376584438.db2.gz ARPMDNGOIRACAA-HZPDHXFCSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134543712 1376584447 /nfs/dbraw/zinc/58/44/47/1376584447.db2.gz ARPMDNGOIRACAA-HZPDHXFCSA-N 2 2 348.535 3.432 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC1CCC1 ZINC001134733456 1376685300 /nfs/dbraw/zinc/68/53/00/1376685300.db2.gz ZZUNZBACOMCWTQ-CVEARBPZSA-N 2 2 347.503 3.086 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134737332 1376687656 /nfs/dbraw/zinc/68/76/56/1376687656.db2.gz RCECRRJJLRIOTO-JGUVHBTRSA-N 2 2 328.460 3.406 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC2=CCCCC2)c[nH+]1 ZINC001134743665 1376692660 /nfs/dbraw/zinc/69/26/60/1376692660.db2.gz AYPJDSGXFHDJRY-JKSUJKDBSA-N 2 2 346.519 3.300 20 0 EGADLP CC(C)CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968474 1376817803 /nfs/dbraw/zinc/81/78/03/1376817803.db2.gz BZTGJRJDMGROBQ-CVEARBPZSA-N 2 2 330.476 3.257 20 0 EGADLP Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)o1 ZINC001235121637 1376852716 /nfs/dbraw/zinc/85/27/16/1376852716.db2.gz VFWJSLQUKAPFIE-HXUWFJFHSA-N 2 2 326.440 3.209 20 0 EGADLP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)o1 ZINC001235121637 1376852721 /nfs/dbraw/zinc/85/27/21/1376852721.db2.gz VFWJSLQUKAPFIE-HXUWFJFHSA-N 2 2 326.440 3.209 20 0 EGADLP COCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135043778 1376864961 /nfs/dbraw/zinc/86/49/61/1376864961.db2.gz LKQJVCQLKSYOPG-RDJZCZTQSA-N 2 2 349.519 3.310 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632732 1376880672 /nfs/dbraw/zinc/88/06/72/1376880672.db2.gz KBCXRLDYSRBKSZ-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235632732 1376880677 /nfs/dbraw/zinc/88/06/77/1376880677.db2.gz KBCXRLDYSRBKSZ-RTBURBONSA-N 2 2 348.535 3.439 20 0 EGADLP CC1([NH+]2CCN(Cc3ccc(Cl)cc3Cl)CC2)CC[NH2+]CC1 ZINC001235816744 1376898487 /nfs/dbraw/zinc/89/84/87/1376898487.db2.gz YFPIRPGWWPWOFC-UHFFFAOYSA-N 2 2 342.314 3.253 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236060196 1376930001 /nfs/dbraw/zinc/93/00/01/1376930001.db2.gz BHHGFZNGBGLJSK-ROUUACIJSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC001236060196 1376930016 /nfs/dbraw/zinc/93/00/16/1376930016.db2.gz BHHGFZNGBGLJSK-ROUUACIJSA-N 2 2 332.451 3.209 20 0 EGADLP COCOc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236075934 1376931349 /nfs/dbraw/zinc/93/13/49/1376931349.db2.gz HDNGYPKCJIJXDX-KRWDZBQOSA-N 2 2 330.403 3.008 20 0 EGADLP COCOc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001236075934 1376931352 /nfs/dbraw/zinc/93/13/52/1376931352.db2.gz HDNGYPKCJIJXDX-KRWDZBQOSA-N 2 2 330.403 3.008 20 0 EGADLP CCCC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[NH2+]1 ZINC001236140872 1376936685 /nfs/dbraw/zinc/93/66/85/1376936685.db2.gz IEEMLINFOSJGQX-MRXNPFEDSA-N 2 2 332.879 3.490 20 0 EGADLP C[N@H+](Cc1ccc(F)c(Br)c1F)C1(C)CC[NH2+]CC1 ZINC001236228130 1376943024 /nfs/dbraw/zinc/94/30/24/1376943024.db2.gz QJFYHZYPGUQQFF-UHFFFAOYSA-N 2 2 333.220 3.301 20 0 EGADLP C[N@@H+](Cc1ccc(F)c(Br)c1F)C1(C)CC[NH2+]CC1 ZINC001236228130 1376943033 /nfs/dbraw/zinc/94/30/33/1376943033.db2.gz QJFYHZYPGUQQFF-UHFFFAOYSA-N 2 2 333.220 3.301 20 0 EGADLP CCOC(=O)c1ccc2c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236240163 1376944558 /nfs/dbraw/zinc/94/45/58/1376944558.db2.gz LGXDBGRGQFXAQL-QGZVFWFLSA-N 2 2 341.455 3.061 20 0 EGADLP CCOC(=O)c1ccc2c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)c[nH]c2c1 ZINC001236240163 1376944566 /nfs/dbraw/zinc/94/45/66/1376944566.db2.gz LGXDBGRGQFXAQL-QGZVFWFLSA-N 2 2 341.455 3.061 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237141109 1376976409 /nfs/dbraw/zinc/97/64/09/1376976409.db2.gz DDDPUGLMWVXTIC-OAQYLSRUSA-N 2 2 340.467 3.191 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237141109 1376976411 /nfs/dbraw/zinc/97/64/11/1376976411.db2.gz DDDPUGLMWVXTIC-OAQYLSRUSA-N 2 2 340.467 3.191 20 0 EGADLP C[C@@H](Cc1ccccn1)[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246939476 1377056489 /nfs/dbraw/zinc/05/64/89/1377056489.db2.gz VQTKDVLLSRYEOL-OXJNMPFZSA-N 2 2 327.447 3.406 20 0 EGADLP C[C@@H](Cc1ccccn1)[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001246939476 1377056492 /nfs/dbraw/zinc/05/64/92/1377056492.db2.gz VQTKDVLLSRYEOL-OXJNMPFZSA-N 2 2 327.447 3.406 20 0 EGADLP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135678773 1377181412 /nfs/dbraw/zinc/18/14/12/1377181412.db2.gz IIDOHVPZBBKHTG-IAGOWNOFSA-N 2 2 344.503 3.248 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001135949217 1377274344 /nfs/dbraw/zinc/27/43/44/1377274344.db2.gz JQUWEJYVJKEYGP-IRXDYDNUSA-N 2 2 348.535 3.196 20 0 EGADLP Cc1cccc2ncc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)n21 ZINC001137196646 1377494882 /nfs/dbraw/zinc/49/48/82/1377494882.db2.gz SVCJGSMAYFKZMK-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1cccc2ncc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)n21 ZINC001137196646 1377494885 /nfs/dbraw/zinc/49/48/85/1377494885.db2.gz SVCJGSMAYFKZMK-GOSISDBHSA-N 2 2 326.488 3.483 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(C(=O)OC)ccc2OC)CC1 ZINC001137251446 1377504061 /nfs/dbraw/zinc/50/40/61/1377504061.db2.gz FRXWTKGOVCYVPU-UHFFFAOYSA-N 2 2 348.487 3.178 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(C(=O)OC)ccc2OC)CC1 ZINC001137251446 1377504065 /nfs/dbraw/zinc/50/40/65/1377504065.db2.gz FRXWTKGOVCYVPU-UHFFFAOYSA-N 2 2 348.487 3.178 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@@H]3C2)nc1 ZINC001137279623 1377509540 /nfs/dbraw/zinc/50/95/40/1377509540.db2.gz VTHJAOGSVOGYFE-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001270456443 1377607109 /nfs/dbraw/zinc/60/71/09/1377607109.db2.gz OWXLGPFKNYFUEQ-BZSNNMDCSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001270456443 1377607126 /nfs/dbraw/zinc/60/71/26/1377607126.db2.gz OWXLGPFKNYFUEQ-BZSNNMDCSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)[N@H+](Cc1cccc2c1OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC001138069743 1377673464 /nfs/dbraw/zinc/67/34/64/1377673464.db2.gz PBTCIFMBKVFLTO-UHFFFAOYSA-N 2 2 326.387 3.313 20 0 EGADLP CC(C)[N@@H+](Cc1cccc2c1OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC001138069743 1377673467 /nfs/dbraw/zinc/67/34/67/1377673467.db2.gz PBTCIFMBKVFLTO-UHFFFAOYSA-N 2 2 326.387 3.313 20 0 EGADLP CCc1cccc2c(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)c[nH]c21 ZINC001138363823 1377710453 /nfs/dbraw/zinc/71/04/53/1377710453.db2.gz VGVWDJIZUIAKRX-UHFFFAOYSA-N 2 2 340.471 3.360 20 0 EGADLP COc1c(Cl)cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001138475640 1377727991 /nfs/dbraw/zinc/72/79/91/1377727991.db2.gz MJCXJWAGFAKNPR-OLZOCXBDSA-N 2 2 329.271 3.386 20 0 EGADLP COc1c(Cl)cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1Cl ZINC001138475640 1377727994 /nfs/dbraw/zinc/72/79/94/1377727994.db2.gz MJCXJWAGFAKNPR-OLZOCXBDSA-N 2 2 329.271 3.386 20 0 EGADLP COc1c(Cl)cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1Cl ZINC001138475640 1377727997 /nfs/dbraw/zinc/72/79/97/1377727997.db2.gz MJCXJWAGFAKNPR-OLZOCXBDSA-N 2 2 329.271 3.386 20 0 EGADLP COc1c(Cl)cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1Cl ZINC001138475640 1377728003 /nfs/dbraw/zinc/72/80/03/1377728003.db2.gz MJCXJWAGFAKNPR-OLZOCXBDSA-N 2 2 329.271 3.386 20 0 EGADLP CCCc1ccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)s1 ZINC001138526054 1377737275 /nfs/dbraw/zinc/73/72/75/1377737275.db2.gz PIHCIIPGYZAONN-UHFFFAOYSA-N 2 2 326.506 3.017 20 0 EGADLP CCCc1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)s1 ZINC001138526054 1377737276 /nfs/dbraw/zinc/73/72/76/1377737276.db2.gz PIHCIIPGYZAONN-UHFFFAOYSA-N 2 2 326.506 3.017 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001138577367 1377746630 /nfs/dbraw/zinc/74/66/30/1377746630.db2.gz ZQKMIQGMNDWDJE-HOTGVXAUSA-N 2 2 344.528 3.333 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC001138673095 1377765409 /nfs/dbraw/zinc/76/54/09/1377765409.db2.gz VIASNFAWCFKNCL-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3cccs3)s2)CC1 ZINC001139324724 1377868843 /nfs/dbraw/zinc/86/88/43/1377868843.db2.gz MXCJRMLWFKCZKH-HNNXBMFYSA-N 2 2 348.541 3.294 20 0 EGADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3cccs3)s2)CC1 ZINC001139324724 1377868845 /nfs/dbraw/zinc/86/88/45/1377868845.db2.gz MXCJRMLWFKCZKH-HNNXBMFYSA-N 2 2 348.541 3.294 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001139464455 1377888110 /nfs/dbraw/zinc/88/81/10/1377888110.db2.gz SMVARULVIFYVIU-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001139464455 1377888117 /nfs/dbraw/zinc/88/81/17/1377888117.db2.gz SMVARULVIFYVIU-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cccc(C(=O)OC)c23)CC1 ZINC001139719304 1377940980 /nfs/dbraw/zinc/94/09/80/1377940980.db2.gz IKEMBHAACLKQSK-UHFFFAOYSA-N 2 2 343.471 3.261 20 0 EGADLP CCN(C(C)=O)C1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140027330 1377991994 /nfs/dbraw/zinc/99/19/94/1377991994.db2.gz IPNCUPFVSAOGBC-UHFFFAOYSA-N 2 2 340.471 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001140027599 1377992482 /nfs/dbraw/zinc/99/24/82/1377992482.db2.gz RMWPXHPJHMOAMZ-UHFFFAOYSA-N 3 2 338.499 3.489 20 0 EGADLP Cn1cnc2ccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc21 ZINC001140737447 1378128029 /nfs/dbraw/zinc/12/80/29/1378128029.db2.gz QRKYIQLKAJYCKH-UHFFFAOYSA-N 2 2 338.499 3.414 20 0 EGADLP Cn1cnc2ccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)cc21 ZINC001140737447 1378128031 /nfs/dbraw/zinc/12/80/31/1378128031.db2.gz QRKYIQLKAJYCKH-UHFFFAOYSA-N 2 2 338.499 3.414 20 0 EGADLP Clc1cc(OC2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)ncn1 ZINC001140805611 1378143229 /nfs/dbraw/zinc/14/32/29/1378143229.db2.gz BULWSWSLNMEVLO-UHFFFAOYSA-N 2 2 343.818 3.050 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4c(N)cccc4F)C[C@@H]3C2)cc1 ZINC001140874072 1378164564 /nfs/dbraw/zinc/16/45/64/1378164564.db2.gz YFZQLGDPQWHJFT-HDICACEKSA-N 2 2 339.458 3.280 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4c(N)cccc4F)C[C@@H]3C2)cc1 ZINC001140874072 1378164568 /nfs/dbraw/zinc/16/45/68/1378164568.db2.gz YFZQLGDPQWHJFT-HDICACEKSA-N 2 2 339.458 3.280 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4c(N)cccc4F)C[C@@H]3C2)cc1 ZINC001140874072 1378164569 /nfs/dbraw/zinc/16/45/69/1378164569.db2.gz YFZQLGDPQWHJFT-HDICACEKSA-N 2 2 339.458 3.280 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4c(N)cccc4F)C[C@@H]3C2)cc1 ZINC001140874072 1378164573 /nfs/dbraw/zinc/16/45/73/1378164573.db2.gz YFZQLGDPQWHJFT-HDICACEKSA-N 2 2 339.458 3.280 20 0 EGADLP Nc1cccc(F)c1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001140872882 1378164677 /nfs/dbraw/zinc/16/46/77/1378164677.db2.gz JWOXPMONPUWDGS-KBPBESRZSA-N 2 2 331.460 3.033 20 0 EGADLP c1cn(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCCC3)cc2)c[nH+]1 ZINC001276873534 1378190892 /nfs/dbraw/zinc/19/08/92/1378190892.db2.gz VZCATNHUNUUWGE-OYRHEFFESA-N 2 2 336.483 3.464 20 0 EGADLP c1cn(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCCC3)cc2)c[nH+]1 ZINC001276873534 1378190896 /nfs/dbraw/zinc/19/08/96/1378190896.db2.gz VZCATNHUNUUWGE-OYRHEFFESA-N 2 2 336.483 3.464 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(-c4ccc(OC)cc4)n3)C[C@@H]2C1 ZINC001140962801 1378194972 /nfs/dbraw/zinc/19/49/72/1378194972.db2.gz KCDDFTVJMCCYJV-ROUUACIJSA-N 2 2 337.467 3.141 20 0 EGADLP CCCCc1[nH]c(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c[nH+]1 ZINC001141069387 1378229264 /nfs/dbraw/zinc/22/92/64/1378229264.db2.gz ZQILNTWCRUQOGJ-HZPDHXFCSA-N 2 2 344.528 3.378 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c(F)c1 ZINC001141192457 1378263906 /nfs/dbraw/zinc/26/39/06/1378263906.db2.gz MNAWXJZSMOWCNN-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c(F)c1 ZINC001141192457 1378263909 /nfs/dbraw/zinc/26/39/09/1378263909.db2.gz MNAWXJZSMOWCNN-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(F)c1 ZINC001141192457 1378263913 /nfs/dbraw/zinc/26/39/13/1378263913.db2.gz MNAWXJZSMOWCNN-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(F)c1 ZINC001141192457 1378263920 /nfs/dbraw/zinc/26/39/20/1378263920.db2.gz MNAWXJZSMOWCNN-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1c(-c2ccccc2)nc2n1CCS2 ZINC001141298110 1378294772 /nfs/dbraw/zinc/29/47/72/1378294772.db2.gz JMJNRWJPVKYXNP-UHFFFAOYSA-N 2 2 330.501 3.039 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1c(-c2ccccc2)nc2n1CCS2 ZINC001141298110 1378294778 /nfs/dbraw/zinc/29/47/78/1378294778.db2.gz JMJNRWJPVKYXNP-UHFFFAOYSA-N 2 2 330.501 3.039 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143352247 1378585834 /nfs/dbraw/zinc/58/58/34/1378585834.db2.gz OAGDFANJHMXYSO-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143352247 1378585837 /nfs/dbraw/zinc/58/58/37/1378585837.db2.gz OAGDFANJHMXYSO-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP CCc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1 ZINC001144326722 1378717337 /nfs/dbraw/zinc/71/73/37/1378717337.db2.gz PJOLXPXYVLPYRW-IBGZPJMESA-N 2 2 344.499 3.098 20 0 EGADLP CCc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)c1 ZINC001144326722 1378717338 /nfs/dbraw/zinc/71/73/38/1378717338.db2.gz PJOLXPXYVLPYRW-IBGZPJMESA-N 2 2 344.499 3.098 20 0 EGADLP CC1CCC(C[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001146458465 1378843510 /nfs/dbraw/zinc/84/35/10/1378843510.db2.gz HVHAKTYGIWRAOS-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP CCC/C=C/CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706474 1378902823 /nfs/dbraw/zinc/90/28/23/1378902823.db2.gz FLRNOVBTKWBACL-IBQUMJASSA-N 2 2 334.508 3.283 20 0 EGADLP Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001146707233 1378903631 /nfs/dbraw/zinc/90/36/31/1378903631.db2.gz PJCMYWFXNOVBOY-MSOLQXFVSA-N 2 2 342.487 3.045 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC(C)(C)C)NC(=O)CCCn1cc[nH+]c1 ZINC001146713293 1378905892 /nfs/dbraw/zinc/90/58/92/1378905892.db2.gz JCKDMOYBXKSFGX-IAGOWNOFSA-N 2 2 336.524 3.363 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn2cc[nH+]c2)cs1 ZINC001146713285 1378905911 /nfs/dbraw/zinc/90/59/11/1378905911.db2.gz IZYKYLAMHMNXPN-CABCVRRESA-N 2 2 348.516 3.106 20 0 EGADLP CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767050 1379075763 /nfs/dbraw/zinc/07/57/63/1379075763.db2.gz IBYQWNUUXRSVJV-GOSISDBHSA-N 2 2 346.519 3.195 20 0 EGADLP CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147767050 1379075768 /nfs/dbraw/zinc/07/57/68/1379075768.db2.gz IBYQWNUUXRSVJV-GOSISDBHSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994330 1380173645 /nfs/dbraw/zinc/17/36/45/1380173645.db2.gz GPGMXQOCKRMNKY-MRXNPFEDSA-N 2 2 348.535 3.189 20 0 EGADLP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994330 1380173647 /nfs/dbraw/zinc/17/36/47/1380173647.db2.gz GPGMXQOCKRMNKY-MRXNPFEDSA-N 2 2 348.535 3.189 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015655 1380181164 /nfs/dbraw/zinc/18/11/64/1380181164.db2.gz UDXFEGPTAGCUIW-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015655 1380181167 /nfs/dbraw/zinc/18/11/67/1380181167.db2.gz UDXFEGPTAGCUIW-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083294 1380202324 /nfs/dbraw/zinc/20/23/24/1380202324.db2.gz PUOGGOXVGRJSES-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083294 1380202328 /nfs/dbraw/zinc/20/23/28/1380202328.db2.gz PUOGGOXVGRJSES-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CC[N@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315309 1380254849 /nfs/dbraw/zinc/25/48/49/1380254849.db2.gz UPVAKXMEGOUDGL-MRXNPFEDSA-N 2 2 340.471 3.275 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315309 1380254851 /nfs/dbraw/zinc/25/48/51/1380254851.db2.gz UPVAKXMEGOUDGL-MRXNPFEDSA-N 2 2 340.471 3.275 20 0 EGADLP CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492621 1380288475 /nfs/dbraw/zinc/28/84/75/1380288475.db2.gz LSCXCWHDBBDUKG-MRXNPFEDSA-N 2 2 328.460 3.113 20 0 EGADLP CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492621 1380288479 /nfs/dbraw/zinc/28/84/79/1380288479.db2.gz LSCXCWHDBBDUKG-MRXNPFEDSA-N 2 2 328.460 3.113 20 0 EGADLP Clc1nc2c(c(-n3c[nH+]cc3C3CC[NH2+]CC3)n1)CCCCC2 ZINC001155058260 1380400206 /nfs/dbraw/zinc/40/02/06/1380400206.db2.gz UEFIDXZSGXDDMG-UHFFFAOYSA-N 2 2 331.851 3.052 20 0 EGADLP c1ccc(CSc2cc[nH+]c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2)cc1 ZINC001155484725 1380459230 /nfs/dbraw/zinc/45/92/30/1380459230.db2.gz PFGHFKDAYGDFOU-KBAYOESNSA-N 2 2 341.480 3.020 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751880 1380489094 /nfs/dbraw/zinc/48/90/94/1380489094.db2.gz UINDJRQUWIIQPU-IBHATUTGSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751880 1380489095 /nfs/dbraw/zinc/48/90/95/1380489095.db2.gz UINDJRQUWIIQPU-IBHATUTGSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751880 1380489096 /nfs/dbraw/zinc/48/90/96/1380489096.db2.gz UINDJRQUWIIQPU-IBHATUTGSA-N 2 2 334.508 3.161 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751880 1380489097 /nfs/dbraw/zinc/48/90/97/1380489097.db2.gz UINDJRQUWIIQPU-IBHATUTGSA-N 2 2 334.508 3.161 20 0 EGADLP c1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccncc2)cc1 ZINC001156096401 1380524355 /nfs/dbraw/zinc/52/43/55/1380524355.db2.gz WBPQVXQRNZFVPQ-OAQYLSRUSA-N 2 2 345.450 3.088 20 0 EGADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ncccc1C[NH+]1CCCC1 ZINC001156787864 1380636212 /nfs/dbraw/zinc/63/62/12/1380636212.db2.gz CSFMPYRAWHLGJX-UHFFFAOYSA-N 2 2 347.466 3.500 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248088 1380822833 /nfs/dbraw/zinc/82/28/33/1380822833.db2.gz FZQICTKMQVDDBB-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248088 1380822839 /nfs/dbraw/zinc/82/28/39/1380822839.db2.gz FZQICTKMQVDDBB-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CCC[N@H+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)C[C@H]2C1 ZINC001157700860 1381007203 /nfs/dbraw/zinc/00/72/03/1381007203.db2.gz XXZJQSSBCFSSBC-GASCZTMLSA-N 2 2 329.419 3.161 20 0 EGADLP CCC[N@@H+]1C[C@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)C[C@H]2C1 ZINC001157700860 1381007208 /nfs/dbraw/zinc/00/72/08/1381007208.db2.gz XXZJQSSBCFSSBC-GASCZTMLSA-N 2 2 329.419 3.161 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])Nc2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001157915595 1381069393 /nfs/dbraw/zinc/06/93/93/1381069393.db2.gz BJTAWONCPWHFMU-UHFFFAOYSA-N 2 2 338.242 3.136 20 0 EGADLP C[N@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128818 1381136285 /nfs/dbraw/zinc/13/62/85/1381136285.db2.gz NKXODAXRESQKEZ-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CCC1CC1)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128818 1381136287 /nfs/dbraw/zinc/13/62/87/1381136287.db2.gz NKXODAXRESQKEZ-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128766 1381136904 /nfs/dbraw/zinc/13/69/04/1381136904.db2.gz JXXUWXPHKGFRIG-GDBMZVCRSA-N 2 2 346.450 3.238 20 0 EGADLP C[C@@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128766 1381136905 /nfs/dbraw/zinc/13/69/05/1381136905.db2.gz JXXUWXPHKGFRIG-GDBMZVCRSA-N 2 2 346.450 3.238 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296883 1381188416 /nfs/dbraw/zinc/18/84/16/1381188416.db2.gz WAEPIHXALZSYQE-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296883 1381188421 /nfs/dbraw/zinc/18/84/21/1381188421.db2.gz WAEPIHXALZSYQE-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2ncccc2c1 ZINC001328355677 1388728914 /nfs/dbraw/zinc/72/89/14/1388728914.db2.gz JPSSOISRRAAFJW-UHFFFAOYSA-N 2 2 329.363 3.376 20 0 EGADLP [NH3+][C@@H]1CCc2nc(N=C3CCC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC001159133644 1381639338 /nfs/dbraw/zinc/63/93/38/1381639338.db2.gz DZHYVPZAVRUPMJ-OAHLLOKOSA-N 2 2 340.496 3.161 20 0 EGADLP [NH3+][C@@H]1CCc2nc(N=C3CCC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC001159133644 1381639349 /nfs/dbraw/zinc/63/93/49/1381639349.db2.gz DZHYVPZAVRUPMJ-OAHLLOKOSA-N 2 2 340.496 3.161 20 0 EGADLP Cc1cc(OC(C)C)ncc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159324181 1381762126 /nfs/dbraw/zinc/76/21/26/1381762126.db2.gz WITSDCJJKSMSEJ-UHFFFAOYSA-N 2 2 341.459 3.243 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491344 1382121179 /nfs/dbraw/zinc/12/11/79/1382121179.db2.gz CGBHYWHHJBALTH-OAHLLOKOSA-N 2 2 340.471 3.361 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160491344 1382121182 /nfs/dbraw/zinc/12/11/82/1382121182.db2.gz CGBHYWHHJBALTH-OAHLLOKOSA-N 2 2 340.471 3.361 20 0 EGADLP c1ccc([C@H]2[C@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)[C@@H]3CC[C@H]2C3)cc1 ZINC001160508054 1382126167 /nfs/dbraw/zinc/12/61/67/1382126167.db2.gz CCXWIEBNLFPDKG-XHIHJMKYSA-N 2 2 348.494 3.485 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001160522412 1382130723 /nfs/dbraw/zinc/13/07/23/1382130723.db2.gz ZGHFXIYAXOSKQX-LJQANCHMSA-N 2 2 342.487 3.075 20 0 EGADLP Cc1cc(C[NH2+]CCCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cs1 ZINC001160528212 1382132326 /nfs/dbraw/zinc/13/23/26/1382132326.db2.gz LIRPESANFKGTLD-KRWDZBQOSA-N 2 2 348.516 3.136 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CCC2CCCCCC2)c[nH+]1 ZINC001160820843 1382208188 /nfs/dbraw/zinc/20/81/88/1382208188.db2.gz WUMOWEVHQVOHFK-UHFFFAOYSA-N 2 2 348.535 3.383 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821869 1382209186 /nfs/dbraw/zinc/20/91/86/1382209186.db2.gz POSQOCHOJMXSMT-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001160821869 1382209188 /nfs/dbraw/zinc/20/91/88/1382209188.db2.gz POSQOCHOJMXSMT-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012586 1382270928 /nfs/dbraw/zinc/27/09/28/1382270928.db2.gz DVEALFWJWVDJFZ-AEFFLSMTSA-N 2 2 340.471 3.314 20 0 EGADLP C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012586 1382270931 /nfs/dbraw/zinc/27/09/31/1382270931.db2.gz DVEALFWJWVDJFZ-AEFFLSMTSA-N 2 2 340.471 3.314 20 0 EGADLP CCOc1cc[nH+]c(NC2CC[NH+](CC(=O)c3ccccc3)CC2)c1 ZINC001161143675 1382317046 /nfs/dbraw/zinc/31/70/46/1382317046.db2.gz UUPQWUHBUBHPFU-UHFFFAOYSA-N 2 2 339.439 3.240 20 0 EGADLP COc1ccc2[nH+]c(N(C3COC3)[C@H]3CC[C@H]([NH3+])CC3)cc(C)c2c1 ZINC001161277075 1382359418 /nfs/dbraw/zinc/35/94/18/1382359418.db2.gz ORENHMCERYDZBR-SHTZXODSSA-N 2 2 341.455 3.027 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356423 1382381841 /nfs/dbraw/zinc/38/18/41/1382381841.db2.gz OSXDIFCAYXJHMI-XDXAGZTOSA-N 2 2 344.503 3.329 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356423 1382381843 /nfs/dbraw/zinc/38/18/43/1382381843.db2.gz OSXDIFCAYXJHMI-XDXAGZTOSA-N 2 2 344.503 3.329 20 0 EGADLP COc1ccc2[nH+]c(N3CCC([NH3+])(c4cccnc4)CC3)cc(C)c2c1 ZINC001161583526 1382447262 /nfs/dbraw/zinc/44/72/62/1382447262.db2.gz NDUOGYHNCSKWFW-UHFFFAOYSA-N 2 2 348.450 3.401 20 0 EGADLP COc1cccc(CC2([NH3+])CCN(c3[nH+]ccc(F)c3C)CC2)c1 ZINC001162048215 1382614247 /nfs/dbraw/zinc/61/42/47/1382614247.db2.gz RDDDNQMAASPLDG-UHFFFAOYSA-N 2 2 329.419 3.078 20 0 EGADLP COCC[N@H+](C)[C@H](CNc1[nH+]cc(C)cc1N)c1ccc(Cl)cc1 ZINC001163384944 1383038079 /nfs/dbraw/zinc/03/80/79/1383038079.db2.gz PUZJWHCFYDAOFY-QGZVFWFLSA-N 2 2 348.878 3.357 20 0 EGADLP COCC[N@@H+](C)[C@H](CNc1[nH+]cc(C)cc1N)c1ccc(Cl)cc1 ZINC001163384944 1383038080 /nfs/dbraw/zinc/03/80/80/1383038080.db2.gz PUZJWHCFYDAOFY-QGZVFWFLSA-N 2 2 348.878 3.357 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001163450891 1383054668 /nfs/dbraw/zinc/05/46/68/1383054668.db2.gz DQJVFTDVTXNKGS-QGZVFWFLSA-N 2 2 348.450 3.343 20 0 EGADLP COc1cc(N2CCN(c3cccc(C)[nH+]3)CC2)[nH+]c2ccccc21 ZINC001163666823 1383099038 /nfs/dbraw/zinc/09/90/38/1383099038.db2.gz WBXAPXYNYMSOHT-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP Cc1cc(N2CCC(COCC[NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC001163882302 1383132308 /nfs/dbraw/zinc/13/23/08/1383132308.db2.gz ARPXVTCXFRNUFN-UHFFFAOYSA-N 2 2 346.519 3.237 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC[C@@](C)(C[NH3+])CC2)c1)C1CC1 ZINC001164246591 1383171087 /nfs/dbraw/zinc/17/10/87/1383171087.db2.gz BFNTVHSZFVKBNB-FXAWDEMLSA-N 2 2 345.487 3.094 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)nc3cc(Cl)ccc31)CC[NH2+]CC2 ZINC001165352968 1383280204 /nfs/dbraw/zinc/28/02/04/1383280204.db2.gz KAONWESMIRKKSY-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1[nH+]c2c(n1-c1ncnc3cc(C(C)(C)C)sc31)CC[NH2+]CC2 ZINC001165351752 1383280464 /nfs/dbraw/zinc/28/04/64/1383280464.db2.gz IDRBSODXPGODMJ-UHFFFAOYSA-N 2 2 341.484 3.171 20 0 EGADLP Cc1c[nH+]c(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c(N)c1 ZINC001166497006 1383429086 /nfs/dbraw/zinc/42/90/86/1383429086.db2.gz ZSQZBPVKHGFCAH-UHFFFAOYSA-N 2 2 345.406 3.484 20 0 EGADLP C[C@@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575755 1383675196 /nfs/dbraw/zinc/67/51/96/1383675196.db2.gz HRIBUAKISZNCFW-BVYCBKJFSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575755 1383675199 /nfs/dbraw/zinc/67/51/99/1383675199.db2.gz HRIBUAKISZNCFW-BVYCBKJFSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575755 1383675201 /nfs/dbraw/zinc/67/52/01/1383675201.db2.gz HRIBUAKISZNCFW-BVYCBKJFSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001167575755 1383675203 /nfs/dbraw/zinc/67/52/03/1383675203.db2.gz HRIBUAKISZNCFW-BVYCBKJFSA-N 2 2 336.479 3.316 20 0 EGADLP Cc1cc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)ccc1[NH+](C)C ZINC001167643653 1383697198 /nfs/dbraw/zinc/69/71/98/1383697198.db2.gz JVFLVBKANMYFHA-UHFFFAOYSA-N 2 2 347.503 3.455 20 0 EGADLP Cc1[nH+]c(N)ccc1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001167785224 1383740500 /nfs/dbraw/zinc/74/05/00/1383740500.db2.gz LPITZXQYAVYKHB-UHFFFAOYSA-N 2 2 326.448 3.001 20 0 EGADLP [NH3+]C1(CC2CCC2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167974842 1383784649 /nfs/dbraw/zinc/78/46/49/1383784649.db2.gz BMUPLTXMFGHFLR-YOFSQIOKSA-N 3 2 331.548 3.375 20 0 EGADLP [NH3+]C1(CC2CCC2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167974842 1383784650 /nfs/dbraw/zinc/78/46/50/1383784650.db2.gz BMUPLTXMFGHFLR-YOFSQIOKSA-N 3 2 331.548 3.375 20 0 EGADLP C[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056267 1383805709 /nfs/dbraw/zinc/80/57/09/1383805709.db2.gz FBEHEKFKKUXVSP-OPVJXMOQSA-N 2 2 327.516 3.066 20 0 EGADLP C[C@@H]1C[C@@H](N2CCC3(C[NH+](C)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056267 1383805716 /nfs/dbraw/zinc/80/57/16/1383805716.db2.gz FBEHEKFKKUXVSP-OPVJXMOQSA-N 2 2 327.516 3.066 20 0 EGADLP C1=CC[C@H](C[NH+]2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001168371982 1383887528 /nfs/dbraw/zinc/88/75/28/1383887528.db2.gz RECMADRRPDEVDH-SFHVURJKSA-N 3 2 331.548 3.271 20 0 EGADLP Clc1cccc(C[NH+]2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168390468 1383894067 /nfs/dbraw/zinc/89/40/67/1383894067.db2.gz HVUOTFMTOZALQI-UHFFFAOYSA-N 2 2 347.934 3.332 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)c1 ZINC001168744347 1383987803 /nfs/dbraw/zinc/98/78/03/1383987803.db2.gz OUAHOVYLVIICLQ-HNNXBMFYSA-N 2 2 343.858 3.033 20 0 EGADLP CCc1ccccc1CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001307462998 1383996093 /nfs/dbraw/zinc/99/60/93/1383996093.db2.gz YWZHRJHPNWQQIM-UHFFFAOYSA-N 2 2 325.456 3.017 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307668939 1384010535 /nfs/dbraw/zinc/01/05/35/1384010535.db2.gz JENHXNQUFRPPHH-UONOGXRCSA-N 2 2 344.425 3.188 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307668939 1384010545 /nfs/dbraw/zinc/01/05/45/1384010545.db2.gz JENHXNQUFRPPHH-UONOGXRCSA-N 2 2 344.425 3.188 20 0 EGADLP COC(=O)[C@H]1CCCC[C@H]1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001307676788 1384012079 /nfs/dbraw/zinc/01/20/79/1384012079.db2.gz QFKZNDXCAMQSDB-OALUTQOASA-N 2 2 347.503 3.355 20 0 EGADLP c1ccc(N2CC[NH+](CCC[NH+](CC3CC3)CC3CC3)CC2)cc1 ZINC001307945749 1384060609 /nfs/dbraw/zinc/06/06/09/1384060609.db2.gz GBKGUXNXHVKUBJ-UHFFFAOYSA-N 2 2 327.516 3.321 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COc3ccc(Br)cc31)C2 ZINC001169099583 1384107366 /nfs/dbraw/zinc/10/73/66/1384107366.db2.gz BZEJGNZHQWWGOV-XPCVCDNBSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COc3ccc(Br)cc31)C2 ZINC001169099583 1384107368 /nfs/dbraw/zinc/10/73/68/1384107368.db2.gz BZEJGNZHQWWGOV-XPCVCDNBSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001169107634 1384107655 /nfs/dbraw/zinc/10/76/55/1384107655.db2.gz INNUUNZPWKKXPW-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001169107634 1384107656 /nfs/dbraw/zinc/10/76/56/1384107656.db2.gz INNUUNZPWKKXPW-BTTYYORXSA-N 2 2 327.241 3.303 20 0 EGADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1F ZINC001308210701 1384109466 /nfs/dbraw/zinc/10/94/66/1384109466.db2.gz JSBOJTPRPZKHCX-UHFFFAOYSA-N 2 2 326.375 3.013 20 0 EGADLP Cc1cccc(C[NH2+]CCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC001170022892 1384219651 /nfs/dbraw/zinc/21/96/51/1384219651.db2.gz LDEIRYUMZLABQM-UHFFFAOYSA-N 2 2 348.450 3.090 20 0 EGADLP CCCCCC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022899 1384219763 /nfs/dbraw/zinc/21/97/63/1384219763.db2.gz LMUGIAXHFVQQDF-UHFFFAOYSA-N 2 2 328.460 3.162 20 0 EGADLP CC1(C)CC(Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CC(C)(C)O1 ZINC001170363070 1384301364 /nfs/dbraw/zinc/30/13/64/1384301364.db2.gz SDHUNSOSOWIHMK-MRXNPFEDSA-N 2 2 331.504 3.368 20 0 EGADLP CC1(C)CC(Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)CC(C)(C)O1 ZINC001170363070 1384301369 /nfs/dbraw/zinc/30/13/69/1384301369.db2.gz SDHUNSOSOWIHMK-MRXNPFEDSA-N 2 2 331.504 3.368 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001170449269 1384321270 /nfs/dbraw/zinc/32/12/70/1384321270.db2.gz LORFQDDWWRAHAZ-CVEARBPZSA-N 2 2 327.428 3.273 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482073 1384327132 /nfs/dbraw/zinc/32/71/32/1384327132.db2.gz BBWQIVIHCGQYCX-IAGOWNOFSA-N 2 2 336.524 3.289 20 0 EGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171127409 1384451119 /nfs/dbraw/zinc/45/11/19/1384451119.db2.gz BUEGFDRAISBONH-LJQANCHMSA-N 2 2 336.907 3.240 20 0 EGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171127409 1384451121 /nfs/dbraw/zinc/45/11/21/1384451121.db2.gz BUEGFDRAISBONH-LJQANCHMSA-N 2 2 336.907 3.240 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150930 1384455579 /nfs/dbraw/zinc/45/55/79/1384455579.db2.gz FGSHRSWENMFDGA-KRWDZBQOSA-N 2 2 346.519 3.497 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150930 1384455583 /nfs/dbraw/zinc/45/55/83/1384455583.db2.gz FGSHRSWENMFDGA-KRWDZBQOSA-N 2 2 346.519 3.497 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001171151780 1384455600 /nfs/dbraw/zinc/45/56/00/1384455600.db2.gz KGZRKLNHGFRRON-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001171151780 1384455603 /nfs/dbraw/zinc/45/56/03/1384455603.db2.gz KGZRKLNHGFRRON-QGZVFWFLSA-N 2 2 342.487 3.116 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153538 1384456180 /nfs/dbraw/zinc/45/61/80/1384456180.db2.gz ZLCKVIPPTGSNPS-HNNXBMFYSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153538 1384456181 /nfs/dbraw/zinc/45/61/81/1384456181.db2.gz ZLCKVIPPTGSNPS-HNNXBMFYSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnc3ccccc3n2)[nH+]1 ZINC001329008141 1388927075 /nfs/dbraw/zinc/92/70/75/1388927075.db2.gz HJXDYTOKOGCKFU-QGZVFWFLSA-N 2 2 333.439 3.410 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnc3ccccc3n2)[nH+]1 ZINC001329008141 1388927081 /nfs/dbraw/zinc/92/70/81/1388927081.db2.gz HJXDYTOKOGCKFU-QGZVFWFLSA-N 2 2 333.439 3.410 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCC1 ZINC001171485340 1384537269 /nfs/dbraw/zinc/53/72/69/1384537269.db2.gz ATKUYKRIIVCYRY-INIZCTEOSA-N 2 2 347.503 3.088 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCC3)C1)CC2 ZINC001171521284 1384549499 /nfs/dbraw/zinc/54/94/99/1384549499.db2.gz SGHLBHKYGDMEFU-CABCVRRESA-N 2 2 338.417 3.425 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCC3)C1)CC2 ZINC001171521284 1384549501 /nfs/dbraw/zinc/54/95/01/1384549501.db2.gz SGHLBHKYGDMEFU-CABCVRRESA-N 2 2 338.417 3.425 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525490 1384551039 /nfs/dbraw/zinc/55/10/39/1384551039.db2.gz DUKUCMLLNVNGEY-OAHLLOKOSA-N 2 2 330.476 3.487 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526519 1384551196 /nfs/dbraw/zinc/55/11/96/1384551196.db2.gz IJXXUXVMLQWGAH-HNNXBMFYSA-N 2 2 328.460 3.407 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001171606417 1384578054 /nfs/dbraw/zinc/57/80/54/1384578054.db2.gz WYYQVGQDJCHLKL-WBVHZDCISA-N 2 2 348.535 3.134 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001171606417 1384578057 /nfs/dbraw/zinc/57/80/57/1384578057.db2.gz WYYQVGQDJCHLKL-WBVHZDCISA-N 2 2 348.535 3.134 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867034 1384666069 /nfs/dbraw/zinc/66/60/69/1384666069.db2.gz RUZZVWJQJITJJZ-LJQANCHMSA-N 2 2 331.504 3.003 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171867034 1384666072 /nfs/dbraw/zinc/66/60/72/1384666072.db2.gz RUZZVWJQJITJJZ-LJQANCHMSA-N 2 2 331.504 3.003 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102222 1384726726 /nfs/dbraw/zinc/72/67/26/1384726726.db2.gz LAGLPUKAQUHZJA-XSDIEEQYSA-N 3 2 327.516 3.113 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001172102222 1384726729 /nfs/dbraw/zinc/72/67/29/1384726729.db2.gz LAGLPUKAQUHZJA-XSDIEEQYSA-N 3 2 327.516 3.113 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172102222 1384726738 /nfs/dbraw/zinc/72/67/38/1384726738.db2.gz LAGLPUKAQUHZJA-XSDIEEQYSA-N 3 2 327.516 3.113 20 0 EGADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC001172145505 1384739046 /nfs/dbraw/zinc/73/90/46/1384739046.db2.gz GTGZQEYYPIJQNM-NPDDRXJXSA-N 2 2 349.478 3.171 20 0 EGADLP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2)cc1 ZINC001172754606 1384844409 /nfs/dbraw/zinc/84/44/09/1384844409.db2.gz XJUKWOWWLYICHD-MRXNPFEDSA-N 2 2 348.487 3.065 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172762709 1384845940 /nfs/dbraw/zinc/84/59/40/1384845940.db2.gz YTMRSEIZLKHAIK-INIZCTEOSA-N 2 2 333.476 3.008 20 0 EGADLP C[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173063605 1384905274 /nfs/dbraw/zinc/90/52/74/1384905274.db2.gz BXUVLQSUQZMHRI-NVXWUHKLSA-N 2 2 348.491 3.308 20 0 EGADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001173065208 1384905996 /nfs/dbraw/zinc/90/59/96/1384905996.db2.gz JLFAJJLIBWQRHN-PMPSAXMXSA-N 2 2 348.491 3.311 20 0 EGADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410987 1384968234 /nfs/dbraw/zinc/96/82/34/1384968234.db2.gz TXFASDNJWHQTLV-OAHLLOKOSA-N 2 2 349.906 3.019 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001173616035 1384989008 /nfs/dbraw/zinc/98/90/08/1384989008.db2.gz IULZZQKYKCULHG-SARBKMAYSA-N 2 2 336.520 3.208 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633297 1384992795 /nfs/dbraw/zinc/99/27/95/1384992795.db2.gz PKUKLMZYBXTYDI-BRSBDYLESA-N 2 2 345.487 3.280 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001317407332 1385119597 /nfs/dbraw/zinc/11/95/97/1385119597.db2.gz DKAVTYVDSFBPMQ-HOTGVXAUSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CCn2cc[nH+]c2)cs1 ZINC001174581453 1385122421 /nfs/dbraw/zinc/12/24/21/1385122421.db2.gz SVJOJWWDYPHSJE-HNNXBMFYSA-N 2 2 348.516 3.108 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357190 1385264612 /nfs/dbraw/zinc/26/46/12/1385264612.db2.gz DTKWYXZJNNEFPJ-KBAYOESNSA-N 2 2 348.535 3.224 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461721 1385299451 /nfs/dbraw/zinc/29/94/51/1385299451.db2.gz PPYHBLRPXKMZNQ-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175871315 1385426141 /nfs/dbraw/zinc/42/61/41/1385426141.db2.gz AEFOJLXVCYTOJB-AWEZNQCLSA-N 2 2 348.878 3.070 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175871317 1385426262 /nfs/dbraw/zinc/42/62/62/1385426262.db2.gz AEFOJLXVCYTOJB-CQSZACIVSA-N 2 2 348.878 3.070 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873866 1385427029 /nfs/dbraw/zinc/42/70/29/1385427029.db2.gz NHOJNYUGWJZRRH-MRXNPFEDSA-N 2 2 348.535 3.433 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175872893 1385427036 /nfs/dbraw/zinc/42/70/36/1385427036.db2.gz IFKCQHCXJIQJPC-IRXDYDNUSA-N 2 2 342.487 3.286 20 0 EGADLP COCC[C@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001177600052 1386004608 /nfs/dbraw/zinc/00/46/08/1386004608.db2.gz XGIMSVGIFYSBPY-AWEZNQCLSA-N 2 2 337.851 3.130 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]Cc2ccccc2)c(C)[nH+]1 ZINC001319220038 1386011263 /nfs/dbraw/zinc/01/12/63/1386011263.db2.gz XXJMWKBNIFQFQM-CQSZACIVSA-N 2 2 325.456 3.163 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)c1 ZINC001319377086 1386090762 /nfs/dbraw/zinc/09/07/62/1386090762.db2.gz HVADZTLQCBGIEU-INIZCTEOSA-N 2 2 340.471 3.040 20 0 EGADLP Cc1noc(C)c1[C@@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319455478 1386129318 /nfs/dbraw/zinc/12/93/18/1386129318.db2.gz VXEUJGZTZLTCGF-NSHDSACASA-N 2 2 339.399 3.313 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178483936 1386231604 /nfs/dbraw/zinc/23/16/04/1386231604.db2.gz LOOCCIRFUYHGCZ-UHFFFAOYSA-N 2 2 342.487 3.489 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@H]3CC[NH2+]C(C)C)ccn12 ZINC001319749611 1386279403 /nfs/dbraw/zinc/27/94/03/1386279403.db2.gz HCJAPHODFKHSGK-KRWDZBQOSA-N 2 2 328.460 3.026 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178863729 1386332669 /nfs/dbraw/zinc/33/26/69/1386332669.db2.gz AEANDYLDLZBTKX-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957089 1386359825 /nfs/dbraw/zinc/35/98/25/1386359825.db2.gz LROWGYKNRBJAGT-FHWLQOOXSA-N 2 2 348.535 3.486 20 0 EGADLP O=C(NCCCCCC[NH2+]CC1CCCC1)c1cccc2[nH+]ccn21 ZINC001179009713 1386375375 /nfs/dbraw/zinc/37/53/75/1386375375.db2.gz NGBXAYMPLLCTKH-UHFFFAOYSA-N 2 2 342.487 3.404 20 0 EGADLP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179175994 1386417916 /nfs/dbraw/zinc/41/79/16/1386417916.db2.gz GOMOEBJLCMVANA-PLNGDYQASA-N 2 2 334.508 3.286 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2F)[nH+]1 ZINC001320056263 1386480043 /nfs/dbraw/zinc/48/00/43/1386480043.db2.gz RJRYZYVUHUHLPJ-QAPCUYQASA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)c2ccccc2F)[nH+]1 ZINC001320056263 1386480046 /nfs/dbraw/zinc/48/00/46/1386480046.db2.gz RJRYZYVUHUHLPJ-QAPCUYQASA-N 2 2 329.419 3.139 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517247 1386504328 /nfs/dbraw/zinc/50/43/28/1386504328.db2.gz NYBDXDJLRXEIPK-ORIYOMJCSA-N 2 2 344.503 3.155 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001179689904 1386555081 /nfs/dbraw/zinc/55/50/81/1386555081.db2.gz QTFDFLLVIWBNPM-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1F ZINC001179693138 1386556263 /nfs/dbraw/zinc/55/62/63/1386556263.db2.gz PZYLBFONCXJPJQ-OAHLLOKOSA-N 2 2 346.450 3.119 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2ncsc2c1 ZINC001321832586 1386993425 /nfs/dbraw/zinc/99/34/25/1386993425.db2.gz QZKDEABRBSGVGB-UHFFFAOYSA-N 2 2 335.392 3.438 20 0 EGADLP CCC(CC)C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001321938194 1387013337 /nfs/dbraw/zinc/01/33/37/1387013337.db2.gz WXHDGVFLIOFXDQ-HNNXBMFYSA-N 2 2 328.460 3.016 20 0 EGADLP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001322220158 1387107487 /nfs/dbraw/zinc/10/74/87/1387107487.db2.gz ZSUUTAPKCFFIGS-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001322220158 1387107488 /nfs/dbraw/zinc/10/74/88/1387107488.db2.gz ZSUUTAPKCFFIGS-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001322298518 1387147418 /nfs/dbraw/zinc/14/74/18/1387147418.db2.gz LXCQJFJPSLZZQZ-KGLIPLIRSA-N 2 2 348.878 3.043 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001322298518 1387147425 /nfs/dbraw/zinc/14/74/25/1387147425.db2.gz LXCQJFJPSLZZQZ-KGLIPLIRSA-N 2 2 348.878 3.043 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182758926 1387219973 /nfs/dbraw/zinc/21/99/73/1387219973.db2.gz KWGKVXDEMJWNGA-MBOZVWFJSA-N 2 2 348.535 3.345 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001337042886 1389243268 /nfs/dbraw/zinc/24/32/68/1389243268.db2.gz VDIYXOXJUHYKNA-HNNXBMFYSA-N 2 2 343.427 3.236 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001337042886 1389243272 /nfs/dbraw/zinc/24/32/72/1389243272.db2.gz VDIYXOXJUHYKNA-HNNXBMFYSA-N 2 2 343.427 3.236 20 0 EGADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001331520916 1389781325 /nfs/dbraw/zinc/78/13/25/1389781325.db2.gz WPXGEUAWHPFXCO-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001698767769 1406425794 /nfs/dbraw/zinc/42/57/94/1406425794.db2.gz YFUAPBSACIXOLQ-ZIAGYGMSSA-N 2 2 348.516 3.055 20 0 EGADLP CCc1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001334778580 1390587256 /nfs/dbraw/zinc/58/72/56/1390587256.db2.gz BUKYURBSPYGOQR-IGOJGBNBSA-N 2 2 327.472 3.483 20 0 EGADLP CCc1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001334778580 1390587258 /nfs/dbraw/zinc/58/72/58/1390587258.db2.gz BUKYURBSPYGOQR-IGOJGBNBSA-N 2 2 327.472 3.483 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCCC1CCOCC1 ZINC001344531198 1390797761 /nfs/dbraw/zinc/79/77/61/1390797761.db2.gz DMHADSXOCRLDSL-UHFFFAOYSA-N 2 2 328.416 3.111 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC001344565293 1390799891 /nfs/dbraw/zinc/79/98/91/1390799891.db2.gz FKLDNZFIKVTDLX-GOSISDBHSA-N 2 2 345.531 3.218 20 0 EGADLP Cc1[nH+]ccn1CCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001348632787 1391246461 /nfs/dbraw/zinc/24/64/61/1391246461.db2.gz VSOQVSWMSQIQII-UHFFFAOYSA-N 2 2 345.512 3.347 20 0 EGADLP Cc1cccc([C@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC001351413111 1391638135 /nfs/dbraw/zinc/63/81/35/1391638135.db2.gz DNCLRRFLLLKBMP-LJQANCHMSA-N 2 2 326.440 3.275 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001479956049 1392493063 /nfs/dbraw/zinc/49/30/63/1392493063.db2.gz ORKPTLOUZVOLNE-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001479956049 1392493064 /nfs/dbraw/zinc/49/30/64/1392493064.db2.gz ORKPTLOUZVOLNE-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001480362341 1392706685 /nfs/dbraw/zinc/70/66/85/1392706685.db2.gz FZRPYZMFHDKZHX-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001480362343 1392706729 /nfs/dbraw/zinc/70/67/29/1392706729.db2.gz FZRPYZMFHDKZHX-RTBURBONSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001480384235 1392728365 /nfs/dbraw/zinc/72/83/65/1392728365.db2.gz VEWSSUYOUFSUCQ-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001480384235 1392728367 /nfs/dbraw/zinc/72/83/67/1392728367.db2.gz VEWSSUYOUFSUCQ-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C\c1ccccc1 ZINC001481824180 1394546791 /nfs/dbraw/zinc/54/67/91/1394546791.db2.gz PZAASSSXPAMVPI-KKMIYCERSA-N 2 2 348.450 3.374 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C\c1ccccc1 ZINC001481824181 1394547023 /nfs/dbraw/zinc/54/70/23/1394547023.db2.gz PZAASSSXPAMVPI-OTIVFRFGSA-N 2 2 348.450 3.374 20 0 EGADLP CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCC1CC1 ZINC001698968192 1406728068 /nfs/dbraw/zinc/72/80/68/1406728068.db2.gz SHSMOFBEPCBOQG-IBGZPJMESA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C)n1cc[nH+]c1 ZINC001483947241 1395156555 /nfs/dbraw/zinc/15/65/55/1395156555.db2.gz WZSOAMROGHEVII-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CN(CCC[N@H+](C)CC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001484752251 1395505165 /nfs/dbraw/zinc/50/51/65/1395505165.db2.gz RAXSLEUFWFFVST-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP CN(CCC[N@@H+](C)CC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001484752251 1395505168 /nfs/dbraw/zinc/50/51/68/1395505168.db2.gz RAXSLEUFWFFVST-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001498443219 1396996305 /nfs/dbraw/zinc/99/63/05/1396996305.db2.gz JWBYNJVFYSURMX-GXTWGEPZSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001498443219 1396996310 /nfs/dbraw/zinc/99/63/10/1396996310.db2.gz JWBYNJVFYSURMX-GXTWGEPZSA-N 2 2 348.878 3.112 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001690846990 1404774790 /nfs/dbraw/zinc/77/47/90/1404774790.db2.gz XLHGAJYFVKEMJF-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001690846990 1404774794 /nfs/dbraw/zinc/77/47/94/1404774794.db2.gz XLHGAJYFVKEMJF-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001691217532 1405157801 /nfs/dbraw/zinc/15/78/01/1405157801.db2.gz NVNUPBIXIIWAFU-INIZCTEOSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001691217532 1405157806 /nfs/dbraw/zinc/15/78/06/1405157806.db2.gz NVNUPBIXIIWAFU-INIZCTEOSA-N 2 2 342.487 3.211 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001732077312 1428329724 /nfs/dbraw/zinc/32/97/24/1428329724.db2.gz XBNAOPAXIXIIJY-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001732077312 1428329726 /nfs/dbraw/zinc/32/97/26/1428329726.db2.gz XBNAOPAXIXIIJY-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@@H+]1Cc2ccc(CNC(=O)C[C@H](C)n3cc[nH+]c3)cc2C1 ZINC001700252358 1413699907 /nfs/dbraw/zinc/69/99/07/1413699907.db2.gz HSBXHVGJWOOHGG-INIZCTEOSA-N 2 2 340.471 3.266 20 0 EGADLP CCCC[N@H+]1Cc2ccc(CNC(=O)C[C@H](C)n3cc[nH+]c3)cc2C1 ZINC001700252358 1413699911 /nfs/dbraw/zinc/69/99/11/1413699911.db2.gz HSBXHVGJWOOHGG-INIZCTEOSA-N 2 2 340.471 3.266 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001732568053 1428761831 /nfs/dbraw/zinc/76/18/31/1428761831.db2.gz BCYMBGBRCYHWAU-CXAGYDPISA-N 2 2 348.878 3.097 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001701022396 1414682944 /nfs/dbraw/zinc/68/29/44/1414682944.db2.gz QZLGZGRYLKVLGL-LSJNQWAISA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1ccccc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001732698506 1428914901 /nfs/dbraw/zinc/91/49/01/1428914901.db2.gz ODWRSCRQLOVXTR-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1ccccc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001732698506 1428914907 /nfs/dbraw/zinc/91/49/07/1428914907.db2.gz ODWRSCRQLOVXTR-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713085141 1417630945 /nfs/dbraw/zinc/63/09/45/1417630945.db2.gz YWYMFRSFXIRKFJ-JXCVUKRWSA-N 2 2 338.455 3.033 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713085141 1417630947 /nfs/dbraw/zinc/63/09/47/1417630947.db2.gz YWYMFRSFXIRKFJ-JXCVUKRWSA-N 2 2 338.455 3.033 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713278696 1417903221 /nfs/dbraw/zinc/90/32/21/1417903221.db2.gz HGHMALNMZNXVIG-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713278696 1417903225 /nfs/dbraw/zinc/90/32/25/1417903225.db2.gz HGHMALNMZNXVIG-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)[C@@H](C)c1ccccc1 ZINC001713488717 1418185454 /nfs/dbraw/zinc/18/54/54/1418185454.db2.gz OOCZDYVDJNRZRI-INIZCTEOSA-N 2 2 336.439 3.147 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)[C@@H](C)c1ccccc1 ZINC001713488717 1418185457 /nfs/dbraw/zinc/18/54/57/1418185457.db2.gz OOCZDYVDJNRZRI-INIZCTEOSA-N 2 2 336.439 3.147 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001713852090 1418648641 /nfs/dbraw/zinc/64/86/41/1418648641.db2.gz IQNCJFUEZBWLLI-OXJNMPFZSA-N 2 2 345.531 3.258 20 0 EGADLP CC(C)C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715396043 1420093294 /nfs/dbraw/zinc/09/32/94/1420093294.db2.gz VBFQCICKODKXEY-GOSISDBHSA-N 2 2 348.535 3.289 20 0 EGADLP CC(C)C[N@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001715498788 1420180657 /nfs/dbraw/zinc/18/06/57/1420180657.db2.gz QAUGYPNUTHWQMC-KRWDZBQOSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[N@@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001715498788 1420180659 /nfs/dbraw/zinc/18/06/59/1420180659.db2.gz QAUGYPNUTHWQMC-KRWDZBQOSA-N 2 2 334.508 3.051 20 0 EGADLP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001716503769 1420733466 /nfs/dbraw/zinc/73/34/66/1420733466.db2.gz XAKZUELYCSUCFR-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@H](C[N@@H+](C)CCC1CCCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001716503769 1420733467 /nfs/dbraw/zinc/73/34/67/1420733467.db2.gz XAKZUELYCSUCFR-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001716710991 1420863714 /nfs/dbraw/zinc/86/37/14/1420863714.db2.gz NSVOWJNGSIAYQA-OTWHNJEPSA-N 2 2 346.519 3.021 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001716710991 1420863716 /nfs/dbraw/zinc/86/37/16/1420863716.db2.gz NSVOWJNGSIAYQA-OTWHNJEPSA-N 2 2 346.519 3.021 20 0 EGADLP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001716715497 1420871686 /nfs/dbraw/zinc/87/16/86/1420871686.db2.gz XKONDDULHPCNNE-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001716715497 1420871689 /nfs/dbraw/zinc/87/16/89/1420871689.db2.gz XKONDDULHPCNNE-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001716715497 1420871690 /nfs/dbraw/zinc/87/16/90/1420871690.db2.gz XKONDDULHPCNNE-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001716715497 1420871693 /nfs/dbraw/zinc/87/16/93/1420871693.db2.gz XKONDDULHPCNNE-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC(C)C ZINC001716828767 1420954837 /nfs/dbraw/zinc/95/48/37/1420954837.db2.gz BUYSTYUUUMIXEX-JQHSSLGASA-N 2 2 346.519 3.008 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC(C)C ZINC001716828767 1420954839 /nfs/dbraw/zinc/95/48/39/1420954839.db2.gz BUYSTYUUUMIXEX-JQHSSLGASA-N 2 2 346.519 3.008 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@]3(C)CCC[N@@H+](CC(C)C)C3)ccn12 ZINC001716894632 1421021337 /nfs/dbraw/zinc/02/13/37/1421021337.db2.gz UEFSGZJGMQVIHR-HXUWFJFHSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@]3(C)CCC[N@H+](CC(C)C)C3)ccn12 ZINC001716894632 1421021339 /nfs/dbraw/zinc/02/13/39/1421021339.db2.gz UEFSGZJGMQVIHR-HXUWFJFHSA-N 2 2 342.487 3.131 20 0 EGADLP CC[N@H+](CC(C)C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717355985 1421291039 /nfs/dbraw/zinc/29/10/39/1421291039.db2.gz IUNUTZAXKCEKLT-UHFFFAOYSA-N 2 2 342.487 3.164 20 0 EGADLP CC[N@@H+](CC(C)C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717355985 1421291041 /nfs/dbraw/zinc/29/10/41/1421291041.db2.gz IUNUTZAXKCEKLT-UHFFFAOYSA-N 2 2 342.487 3.164 20 0 EGADLP CCCC[C@H](C[NH2+]C(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717531010 1421467495 /nfs/dbraw/zinc/46/74/95/1421467495.db2.gz AWRRLGMADHQAJS-QGZVFWFLSA-N 2 2 328.460 3.159 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001725176413 1425694123 /nfs/dbraw/zinc/69/41/23/1425694123.db2.gz PDBHJQDPLPDKEP-HOTGVXAUSA-N 2 2 336.439 3.146 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001725176413 1425694125 /nfs/dbraw/zinc/69/41/25/1425694125.db2.gz PDBHJQDPLPDKEP-HOTGVXAUSA-N 2 2 336.439 3.146 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001725254847 1425878485 /nfs/dbraw/zinc/87/84/85/1425878485.db2.gz JBVUXRBLPJAACS-HZPDHXFCSA-N 2 2 342.487 3.067 20 0 EGADLP C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001752159802 1440148635 /nfs/dbraw/zinc/14/86/35/1440148635.db2.gz UAUMHRRYQWOKSF-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001752769584 1440205858 /nfs/dbraw/zinc/20/58/58/1440205858.db2.gz UINIKBKMDOIQMR-RYQLBKOJSA-N 2 2 332.492 3.041 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001752802347 1440215192 /nfs/dbraw/zinc/21/51/92/1440215192.db2.gz DRSPVXGDKGAXBY-SFHVURJKSA-N 2 2 331.504 3.495 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CCCC3CCCC3)ccn12 ZINC001752873018 1440237409 /nfs/dbraw/zinc/23/74/09/1440237409.db2.gz MZYDZTFPKCJINW-OAHLLOKOSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992454 1440260006 /nfs/dbraw/zinc/26/00/06/1440260006.db2.gz MMGBQEBQQCHLOJ-RBUKOAKNSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992454 1440260007 /nfs/dbraw/zinc/26/00/07/1440260007.db2.gz MMGBQEBQQCHLOJ-RBUKOAKNSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001753075189 1440290995 /nfs/dbraw/zinc/29/09/95/1440290995.db2.gz OKFWWNBEHIEURE-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001753075189 1440290996 /nfs/dbraw/zinc/29/09/96/1440290996.db2.gz OKFWWNBEHIEURE-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP CC(C)[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001753294827 1440351880 /nfs/dbraw/zinc/35/18/80/1440351880.db2.gz WASJXUCAGFEDBW-LJQANCHMSA-N 2 2 342.487 3.252 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001753317289 1440360394 /nfs/dbraw/zinc/36/03/94/1440360394.db2.gz LETGLIASMAGVDA-YFCVBGDOSA-N 2 2 346.862 3.242 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001753317289 1440360395 /nfs/dbraw/zinc/36/03/95/1440360395.db2.gz LETGLIASMAGVDA-YFCVBGDOSA-N 2 2 346.862 3.242 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336891 1440372763 /nfs/dbraw/zinc/37/27/63/1440372763.db2.gz BTXMGCIVJXMSBR-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336891 1440372764 /nfs/dbraw/zinc/37/27/64/1440372764.db2.gz BTXMGCIVJXMSBR-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001753336891 1440372765 /nfs/dbraw/zinc/37/27/65/1440372765.db2.gz BTXMGCIVJXMSBR-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001753336891 1440372766 /nfs/dbraw/zinc/37/27/66/1440372766.db2.gz BTXMGCIVJXMSBR-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001753366992 1440385875 /nfs/dbraw/zinc/38/58/75/1440385875.db2.gz RZYINXNENYJNCZ-IRXDYDNUSA-N 2 2 334.508 3.051 20 0 EGADLP CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001753366992 1440385876 /nfs/dbraw/zinc/38/58/76/1440385876.db2.gz RZYINXNENYJNCZ-IRXDYDNUSA-N 2 2 334.508 3.051 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753458099 1440409244 /nfs/dbraw/zinc/40/92/44/1440409244.db2.gz CFCCNUZAUFMMDC-SJORKVTESA-N 2 2 334.508 3.193 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753458099 1440409245 /nfs/dbraw/zinc/40/92/45/1440409245.db2.gz CFCCNUZAUFMMDC-SJORKVTESA-N 2 2 334.508 3.193 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001753599192 1440445839 /nfs/dbraw/zinc/44/58/39/1440445839.db2.gz HAKKHRCZXZQIHO-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753714659 1440471514 /nfs/dbraw/zinc/47/15/14/1440471514.db2.gz GTKHXJNMMKIYAE-KBPBESRZSA-N 2 2 348.516 3.149 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001753864631 1440513505 /nfs/dbraw/zinc/51/35/05/1440513505.db2.gz RCGVRMUTEFIRKY-SFHVURJKSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1ccc(C[N@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001753864631 1440513506 /nfs/dbraw/zinc/51/35/06/1440513506.db2.gz RCGVRMUTEFIRKY-SFHVURJKSA-N 2 2 342.487 3.041 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001754297998 1440566915 /nfs/dbraw/zinc/56/69/15/1440566915.db2.gz UJSACMGAYSQCEY-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCC1)n1cc[nH+]c1 ZINC001754326335 1440580771 /nfs/dbraw/zinc/58/07/71/1440580771.db2.gz IGNBSZKHYNPMKX-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCCC1)n1cc[nH+]c1 ZINC001754326335 1440580772 /nfs/dbraw/zinc/58/07/72/1440580772.db2.gz IGNBSZKHYNPMKX-DLBZAZTESA-N 2 2 334.508 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564717 1440635022 /nfs/dbraw/zinc/63/50/22/1440635022.db2.gz HSKPUJPDYSVWKZ-UYAOXDASSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564717 1440635023 /nfs/dbraw/zinc/63/50/23/1440635023.db2.gz HSKPUJPDYSVWKZ-UYAOXDASSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001754947970 1440714042 /nfs/dbraw/zinc/71/40/42/1440714042.db2.gz CXYOZNABLMNSOD-CVEARBPZSA-N 2 2 328.460 3.210 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755130063 1440756967 /nfs/dbraw/zinc/75/69/67/1440756967.db2.gz DCRCXXULKRHYQP-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755135487 1440758041 /nfs/dbraw/zinc/75/80/41/1440758041.db2.gz QVKYYNCMJCXQLE-VOTSOKGWSA-N 2 2 332.492 3.014 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001755196426 1440777311 /nfs/dbraw/zinc/77/73/11/1440777311.db2.gz MOJLLHUZBPGJCE-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001755196426 1440777312 /nfs/dbraw/zinc/77/73/12/1440777312.db2.gz MOJLLHUZBPGJCE-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)CC1CCCCCC1 ZINC001755304685 1440810047 /nfs/dbraw/zinc/81/00/47/1440810047.db2.gz BLGIHPJUJPVVIX-INIZCTEOSA-N 2 2 347.503 3.040 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001755304685 1440810048 /nfs/dbraw/zinc/81/00/48/1440810048.db2.gz BLGIHPJUJPVVIX-INIZCTEOSA-N 2 2 347.503 3.040 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)C/C=C\c1ccccc1 ZINC001755308749 1440812275 /nfs/dbraw/zinc/81/22/75/1440812275.db2.gz YRAKENSLSIUTCG-CGQZWFTASA-N 2 2 348.450 3.098 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)C/C=C\c1ccccc1 ZINC001755308749 1440812276 /nfs/dbraw/zinc/81/22/76/1440812276.db2.gz YRAKENSLSIUTCG-CGQZWFTASA-N 2 2 348.450 3.098 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001755411869 1440846907 /nfs/dbraw/zinc/84/69/07/1440846907.db2.gz HUMGNFMPCQNDSI-QGZVFWFLSA-N 2 2 328.460 3.193 20 0 EGADLP CCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001755411869 1440846908 /nfs/dbraw/zinc/84/69/08/1440846908.db2.gz HUMGNFMPCQNDSI-QGZVFWFLSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[N@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412536 1440846972 /nfs/dbraw/zinc/84/69/72/1440846972.db2.gz VEJYBBALINEEMI-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[N@@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412536 1440846973 /nfs/dbraw/zinc/84/69/73/1440846973.db2.gz VEJYBBALINEEMI-AEFFLSMTSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755516594 1440864288 /nfs/dbraw/zinc/86/42/88/1440864288.db2.gz OYJDJZMZMIGEJS-QGZVFWFLSA-N 2 2 342.487 3.026 20 0 EGADLP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1)n1cc[nH+]c1 ZINC001755606535 1440885734 /nfs/dbraw/zinc/88/57/34/1440885734.db2.gz LKHHMRYWMNNNGC-DLBZAZTESA-N 2 2 332.492 3.161 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001755718609 1440906401 /nfs/dbraw/zinc/90/64/01/1440906401.db2.gz NNIIHPZLPRTEJU-SJLPKXTDSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001755718609 1440906402 /nfs/dbraw/zinc/90/64/02/1440906402.db2.gz NNIIHPZLPRTEJU-SJLPKXTDSA-N 2 2 342.487 3.416 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C)ccn12 ZINC001755822372 1440926116 /nfs/dbraw/zinc/92/61/16/1440926116.db2.gz QFQRQEDJMFRLFW-CJNGLKHVSA-N 2 2 348.466 3.125 20 0 EGADLP C[C@@H]([NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755825937 1440927167 /nfs/dbraw/zinc/92/71/67/1440927167.db2.gz XBOBGIWEDHHHTO-QAPCUYQASA-N 2 2 342.487 3.224 20 0 EGADLP C[C@@H]([NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C)c1ccccc1 ZINC001755825937 1440927168 /nfs/dbraw/zinc/92/71/68/1440927168.db2.gz XBOBGIWEDHHHTO-QAPCUYQASA-N 2 2 342.487 3.224 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755833744 1440929624 /nfs/dbraw/zinc/92/96/24/1440929624.db2.gz OWVXMRUJRWTPDE-ZWKOTPCHSA-N 2 2 342.487 3.224 20 0 EGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814664 720196625 /nfs/dbraw/zinc/19/66/25/720196625.db2.gz VWXUWSFTNMLQAR-GHTZIAJQSA-N 2 2 341.499 3.144 20 0 EGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001164814664 720196633 /nfs/dbraw/zinc/19/66/33/720196633.db2.gz VWXUWSFTNMLQAR-GHTZIAJQSA-N 2 2 341.499 3.144 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000368453316 168358059 /nfs/dbraw/zinc/35/80/59/168358059.db2.gz FRWACOKGSPZLTE-ZBFHGGJFSA-N 2 2 340.471 3.075 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462823 168359635 /nfs/dbraw/zinc/35/96/35/168359635.db2.gz QLNSLHNTSHBPBK-SJLPKXTDSA-N 3 2 339.593 3.055 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462821 168360013 /nfs/dbraw/zinc/36/00/13/168360013.db2.gz QLNSLHNTSHBPBK-FUHWJXTLSA-N 3 2 339.593 3.055 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1 ZINC000368552497 168371381 /nfs/dbraw/zinc/37/13/81/168371381.db2.gz YWRMYDYBVCACRA-YOEHRIQHSA-N 2 2 333.505 3.093 20 0 EGADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nn1 ZINC000368552497 168371383 /nfs/dbraw/zinc/37/13/83/168371383.db2.gz YWRMYDYBVCACRA-YOEHRIQHSA-N 2 2 333.505 3.093 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cncc(Br)c1 ZINC000173961960 529929850 /nfs/dbraw/zinc/92/98/50/529929850.db2.gz DHWJCUNROFGQGS-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cncc(Br)c1 ZINC000173961960 529929852 /nfs/dbraw/zinc/92/98/52/529929852.db2.gz DHWJCUNROFGQGS-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cncc(Br)c1 ZINC000173961960 529929854 /nfs/dbraw/zinc/92/98/54/529929854.db2.gz DHWJCUNROFGQGS-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cncc(Br)c1 ZINC000173961960 529929855 /nfs/dbraw/zinc/92/98/55/529929855.db2.gz DHWJCUNROFGQGS-HNNXBMFYSA-N 2 2 326.282 3.150 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCOC1 ZINC000179508546 299308961 /nfs/dbraw/zinc/30/89/61/299308961.db2.gz FRMVRXQPFXQJKG-ADOMEBDSSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCOC1 ZINC000179508546 299308965 /nfs/dbraw/zinc/30/89/65/299308965.db2.gz FRMVRXQPFXQJKG-ADOMEBDSSA-N 2 2 340.870 3.487 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129534220 223066700 /nfs/dbraw/zinc/06/67/00/223066700.db2.gz NMSFRNMADBTGQF-XYJFISCASA-N 2 2 326.444 3.102 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129534220 223066703 /nfs/dbraw/zinc/06/67/03/223066703.db2.gz NMSFRNMADBTGQF-XYJFISCASA-N 2 2 326.444 3.102 20 0 EGADLP CN(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000072726085 216300018 /nfs/dbraw/zinc/30/00/18/216300018.db2.gz YHJMDZKIJPJJJE-LJQANCHMSA-N 2 2 327.472 3.137 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000072726085 216300020 /nfs/dbraw/zinc/30/00/20/216300020.db2.gz YHJMDZKIJPJJJE-LJQANCHMSA-N 2 2 327.472 3.137 20 0 EGADLP CCc1ccc2c(C[NH+]3CC[C@@H](C[N@@H+](C)CC)C3)cc(=O)oc2c1 ZINC000072858618 216318322 /nfs/dbraw/zinc/31/83/22/216318322.db2.gz LLHZWWZZLHGKOJ-INIZCTEOSA-N 2 2 328.456 3.129 20 0 EGADLP CCc1ccc2c(C[NH+]3CC[C@@H](C[N@H+](C)CC)C3)cc(=O)oc2c1 ZINC000072858618 216318324 /nfs/dbraw/zinc/31/83/24/216318324.db2.gz LLHZWWZZLHGKOJ-INIZCTEOSA-N 2 2 328.456 3.129 20 0 EGADLP CCc1ccc2c(C[N@H+]3CC[C@@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000072858618 216318327 /nfs/dbraw/zinc/31/83/27/216318327.db2.gz LLHZWWZZLHGKOJ-INIZCTEOSA-N 2 2 328.456 3.129 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000072858618 216318331 /nfs/dbraw/zinc/31/83/31/216318331.db2.gz LLHZWWZZLHGKOJ-INIZCTEOSA-N 2 2 328.456 3.129 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000359468778 241905907 /nfs/dbraw/zinc/90/59/07/241905907.db2.gz WLRULJIYNJPHJE-BFYDXBDKSA-N 2 2 329.492 3.140 20 0 EGADLP C[NH2+]CC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000230315231 242259032 /nfs/dbraw/zinc/25/90/32/242259032.db2.gz TWIIUALIJCKRFN-UHFFFAOYSA-N 2 2 333.220 3.159 20 0 EGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000262632316 245080791 /nfs/dbraw/zinc/08/07/91/245080791.db2.gz HHBZJKTYVUVZGU-GUYCJALGSA-N 2 2 326.444 3.198 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000262718056 245142474 /nfs/dbraw/zinc/14/24/74/245142474.db2.gz WWNXWKNKCIQMMX-GOSISDBHSA-N 2 2 346.500 3.231 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000262718056 245142477 /nfs/dbraw/zinc/14/24/77/245142477.db2.gz WWNXWKNKCIQMMX-GOSISDBHSA-N 2 2 346.500 3.231 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1C ZINC000111244651 220121492 /nfs/dbraw/zinc/12/14/92/220121492.db2.gz DZOGNKJACLIBNJ-INIZCTEOSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1nc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000266089654 248089448 /nfs/dbraw/zinc/08/94/48/248089448.db2.gz DMORFBWUSZGCPJ-GASCZTMLSA-N 2 2 326.444 3.006 20 0 EGADLP Cc1nc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc[nH+]1 ZINC000266089654 248089450 /nfs/dbraw/zinc/08/94/50/248089450.db2.gz DMORFBWUSZGCPJ-GASCZTMLSA-N 2 2 326.444 3.006 20 0 EGADLP C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539890 169038897 /nfs/dbraw/zinc/03/88/97/169038897.db2.gz GXOGWBPIETZAEP-HZPDHXFCSA-N 2 2 337.533 3.140 20 0 EGADLP C[C@@H](O)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000377539890 169038899 /nfs/dbraw/zinc/03/88/99/169038899.db2.gz GXOGWBPIETZAEP-HZPDHXFCSA-N 2 2 337.533 3.140 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093693341 218243713 /nfs/dbraw/zinc/24/37/13/218243713.db2.gz WTUITFIZZFQBOG-OAHLLOKOSA-N 2 2 330.451 3.380 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000093693341 218243715 /nfs/dbraw/zinc/24/37/15/218243715.db2.gz WTUITFIZZFQBOG-OAHLLOKOSA-N 2 2 330.451 3.380 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770067 218247574 /nfs/dbraw/zinc/24/75/74/218247574.db2.gz WOPGNLFKSNFDRX-AWEZNQCLSA-N 2 2 349.910 3.439 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770067 218247578 /nfs/dbraw/zinc/24/75/78/218247578.db2.gz WOPGNLFKSNFDRX-AWEZNQCLSA-N 2 2 349.910 3.439 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770067 218247581 /nfs/dbraw/zinc/24/75/81/218247581.db2.gz WOPGNLFKSNFDRX-AWEZNQCLSA-N 2 2 349.910 3.439 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770067 218247584 /nfs/dbraw/zinc/24/75/84/218247584.db2.gz WOPGNLFKSNFDRX-AWEZNQCLSA-N 2 2 349.910 3.439 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770098 218249123 /nfs/dbraw/zinc/24/91/23/218249123.db2.gz GTVAVOQHNMXHEP-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770098 218249124 /nfs/dbraw/zinc/24/91/24/218249124.db2.gz GTVAVOQHNMXHEP-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770098 218249126 /nfs/dbraw/zinc/24/91/26/218249126.db2.gz GTVAVOQHNMXHEP-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770098 218249128 /nfs/dbraw/zinc/24/91/28/218249128.db2.gz GTVAVOQHNMXHEP-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469511 251087804 /nfs/dbraw/zinc/08/78/04/251087804.db2.gz XNLXURQISYWCKP-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469511 251087806 /nfs/dbraw/zinc/08/78/06/251087806.db2.gz XNLXURQISYWCKP-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC(C)(C)[NH+](C)C ZINC000152624756 223992099 /nfs/dbraw/zinc/99/20/99/223992099.db2.gz ONUNYGKJKKSMJT-AWEZNQCLSA-N 2 2 339.911 3.007 20 0 EGADLP Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000268752271 252203537 /nfs/dbraw/zinc/20/35/37/252203537.db2.gz CPBIDOCVVGVTCN-NRFANRHFSA-N 2 2 340.442 3.435 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000268752871 252203796 /nfs/dbraw/zinc/20/37/96/252203796.db2.gz YFZJFHFZBSQFMH-HNNXBMFYSA-N 2 2 327.476 3.019 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)nnn1-c1ccc(Cl)cc1 ZINC000268793232 252245924 /nfs/dbraw/zinc/24/59/24/252245924.db2.gz DZORGRJLHNOLEW-OLZOCXBDSA-N 2 2 344.850 3.165 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cnn1C ZINC000268820842 252270929 /nfs/dbraw/zinc/27/09/29/252270929.db2.gz NZTYGEJALKSJMU-INIZCTEOSA-N 2 2 326.488 3.086 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000268848137 252295397 /nfs/dbraw/zinc/29/53/97/252295397.db2.gz CAFCOJHQCFVAIS-HOCLYGCPSA-N 2 2 334.460 3.199 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1F ZINC000153711261 224145304 /nfs/dbraw/zinc/14/53/04/224145304.db2.gz BWLCNCNNZIGZJH-DEYYWGMASA-N 3 2 330.451 3.138 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1F ZINC000153711261 224145306 /nfs/dbraw/zinc/14/53/06/224145306.db2.gz BWLCNCNNZIGZJH-DEYYWGMASA-N 3 2 330.451 3.138 20 0 EGADLP OC[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355356640 285283247 /nfs/dbraw/zinc/28/32/47/285283247.db2.gz YHQMZKLRTLQKEN-QFIPXVFZSA-N 2 2 347.462 3.442 20 0 EGADLP OC[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355356640 285283250 /nfs/dbraw/zinc/28/32/50/285283250.db2.gz YHQMZKLRTLQKEN-QFIPXVFZSA-N 2 2 347.462 3.442 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220855 285395432 /nfs/dbraw/zinc/39/54/32/285395432.db2.gz FQVXRXXHSWRKJN-HKUYNNGSSA-N 2 2 331.504 3.233 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220855 285395433 /nfs/dbraw/zinc/39/54/33/285395433.db2.gz FQVXRXXHSWRKJN-HKUYNNGSSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220855 285395434 /nfs/dbraw/zinc/39/54/34/285395434.db2.gz FQVXRXXHSWRKJN-HKUYNNGSSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@@H]1C ZINC000354220855 285395435 /nfs/dbraw/zinc/39/54/35/285395435.db2.gz FQVXRXXHSWRKJN-HKUYNNGSSA-N 2 2 331.504 3.233 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000130669621 533405389 /nfs/dbraw/zinc/40/53/89/533405389.db2.gz ZIYLJYOCTHKPEZ-MRXNPFEDSA-N 2 2 348.450 3.354 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000164489389 533651086 /nfs/dbraw/zinc/65/10/86/533651086.db2.gz NINNRCMUCQLEBB-XLIONFOSSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000164489389 533651109 /nfs/dbraw/zinc/65/11/09/533651109.db2.gz NINNRCMUCQLEBB-XLIONFOSSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489389 533651115 /nfs/dbraw/zinc/65/11/15/533651115.db2.gz NINNRCMUCQLEBB-XLIONFOSSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489389 533651122 /nfs/dbraw/zinc/65/11/22/533651122.db2.gz NINNRCMUCQLEBB-XLIONFOSSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(NC(N)=O)cc1 ZINC000237585130 141009126 /nfs/dbraw/zinc/00/91/26/141009126.db2.gz KBBMEDZIIJWVLQ-AWEZNQCLSA-N 2 2 335.411 3.214 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247002339 141048418 /nfs/dbraw/zinc/04/84/18/141048418.db2.gz WZNWCPKNEWKDDX-ABSDTBQOSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247002339 141048421 /nfs/dbraw/zinc/04/84/21/141048421.db2.gz WZNWCPKNEWKDDX-ABSDTBQOSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247002339 141048424 /nfs/dbraw/zinc/04/84/24/141048424.db2.gz WZNWCPKNEWKDDX-ABSDTBQOSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247002339 141048427 /nfs/dbraw/zinc/04/84/27/141048427.db2.gz WZNWCPKNEWKDDX-ABSDTBQOSA-N 2 2 341.499 3.271 20 0 EGADLP CC[NH+](CC)CCCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338133556 141099556 /nfs/dbraw/zinc/09/95/56/141099556.db2.gz VTUIBMWEXBTEFF-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347910189 141214568 /nfs/dbraw/zinc/21/45/68/141214568.db2.gz JMRCJFGLTJKWKO-HUUCEWRRSA-N 2 2 325.522 3.230 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347910189 141214570 /nfs/dbraw/zinc/21/45/70/141214570.db2.gz JMRCJFGLTJKWKO-HUUCEWRRSA-N 2 2 325.522 3.230 20 0 EGADLP CCCCOc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000352931191 141270865 /nfs/dbraw/zinc/27/08/65/141270865.db2.gz NCEQSDYSJULGMB-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000352931191 141270866 /nfs/dbraw/zinc/27/08/66/141270866.db2.gz NCEQSDYSJULGMB-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000352931191 141270867 /nfs/dbraw/zinc/27/08/67/141270867.db2.gz NCEQSDYSJULGMB-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000352931191 141270868 /nfs/dbraw/zinc/27/08/68/141270868.db2.gz NCEQSDYSJULGMB-MSOLQXFVSA-N 2 2 332.488 3.400 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC000352955073 141276862 /nfs/dbraw/zinc/27/68/62/141276862.db2.gz HEZSTJVCMYWMFG-LXZJYRNTSA-N 2 2 345.531 3.393 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000353354665 141293913 /nfs/dbraw/zinc/29/39/13/141293913.db2.gz PZVHEKBPJYHLQK-GHTZIAJQSA-N 2 2 340.515 3.334 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000353354665 141293914 /nfs/dbraw/zinc/29/39/14/141293914.db2.gz PZVHEKBPJYHLQK-GHTZIAJQSA-N 2 2 340.515 3.334 20 0 EGADLP Cc1ccc(CCC[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c[nH+]1 ZINC000354632291 141317196 /nfs/dbraw/zinc/31/71/96/141317196.db2.gz MUDYUGIYRKWOJA-UHFFFAOYSA-N 2 2 333.439 3.138 20 0 EGADLP COc1cc(F)cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000356837058 141351750 /nfs/dbraw/zinc/35/17/50/141351750.db2.gz CWNOEEAKZFIGCH-UHFFFAOYSA-N 2 2 334.357 3.341 20 0 EGADLP Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000172223123 144018227 /nfs/dbraw/zinc/01/82/27/144018227.db2.gz JRILKHRRFFDQJV-INIZCTEOSA-N 2 2 339.439 3.206 20 0 EGADLP CCN(Cc1c[nH+]c2ccccn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183752929 144078647 /nfs/dbraw/zinc/07/86/47/144078647.db2.gz LSXRIUVLMDYSHZ-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP CCN(Cc1c[nH+]c2ccccn12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183752929 144078649 /nfs/dbraw/zinc/07/86/49/144078649.db2.gz LSXRIUVLMDYSHZ-LJQANCHMSA-N 2 2 334.467 3.431 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000186570894 144137392 /nfs/dbraw/zinc/13/73/92/144137392.db2.gz RUYLARQKZLAENR-VKJFTORMSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000186570894 144137394 /nfs/dbraw/zinc/13/73/94/144137394.db2.gz RUYLARQKZLAENR-VKJFTORMSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344626421 144201695 /nfs/dbraw/zinc/20/16/95/144201695.db2.gz XYHZZCKXSRPTDZ-SFHVURJKSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000344626421 144201697 /nfs/dbraw/zinc/20/16/97/144201697.db2.gz XYHZZCKXSRPTDZ-SFHVURJKSA-N 2 2 340.471 3.031 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344739463 144217995 /nfs/dbraw/zinc/21/79/95/144217995.db2.gz ULJKXAHGOIFNEL-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739463 144217997 /nfs/dbraw/zinc/21/79/97/144217997.db2.gz ULJKXAHGOIFNEL-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351538871 144275715 /nfs/dbraw/zinc/27/57/15/144275715.db2.gz LWMXRVUBKADJEL-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351538871 144275717 /nfs/dbraw/zinc/27/57/17/144275717.db2.gz LWMXRVUBKADJEL-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351538871 144275718 /nfs/dbraw/zinc/27/57/18/144275718.db2.gz LWMXRVUBKADJEL-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351538871 144275720 /nfs/dbraw/zinc/27/57/20/144275720.db2.gz LWMXRVUBKADJEL-GOSISDBHSA-N 2 2 339.483 3.021 20 0 EGADLP FC(F)(F)c1ncc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000351543989 144277091 /nfs/dbraw/zinc/27/70/91/144277091.db2.gz ICEDCDXJHYCEKI-UHFFFAOYSA-N 2 2 339.346 3.414 20 0 EGADLP O=c1[nH]c2ccccc2cc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351550290 144278141 /nfs/dbraw/zinc/27/81/41/144278141.db2.gz JJLYQWLVIAYDRQ-UHFFFAOYSA-N 2 2 331.379 3.192 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)cc2)cs1 ZINC000351571643 144282147 /nfs/dbraw/zinc/28/21/47/144282147.db2.gz AGWYQICKLBRIEV-FZKQIMNGSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)cc2)cs1 ZINC000351571643 144282148 /nfs/dbraw/zinc/28/21/48/144282148.db2.gz AGWYQICKLBRIEV-FZKQIMNGSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)CCC2 ZINC000369934923 144458215 /nfs/dbraw/zinc/45/82/15/144458215.db2.gz SUWWJZKYMHZIRR-XHSDSOJGSA-N 2 2 348.491 3.104 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000338689117 285875188 /nfs/dbraw/zinc/87/51/88/285875188.db2.gz RBWRSEKIUJXSKX-MOPGFXCFSA-N 2 2 330.472 3.244 20 0 EGADLP CCc1nc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc(C)[nH+]1 ZINC000341338153 155240841 /nfs/dbraw/zinc/24/08/41/155240841.db2.gz AZHHWVGASAIMIO-UHFFFAOYSA-N 2 2 336.892 3.385 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402131 155271631 /nfs/dbraw/zinc/27/16/31/155271631.db2.gz JOEPYFQFHOUAAL-IBGZPJMESA-N 2 2 334.467 3.254 20 0 EGADLP Cc1ccc2nc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000341402131 155271634 /nfs/dbraw/zinc/27/16/34/155271634.db2.gz JOEPYFQFHOUAAL-IBGZPJMESA-N 2 2 334.467 3.254 20 0 EGADLP c1nc(C2CCCC2)sc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119515891 152211331 /nfs/dbraw/zinc/21/13/31/152211331.db2.gz MXEOQLNMXPYIOD-UHFFFAOYSA-N 2 2 348.560 3.014 20 0 EGADLP COc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000119816364 152229407 /nfs/dbraw/zinc/22/94/07/152229407.db2.gz PLWLTKQKKNXCGF-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc[nH+]cc2C)cc1F ZINC000120673889 152292361 /nfs/dbraw/zinc/29/23/61/152292361.db2.gz KIRXYPHTKLKFSE-UHFFFAOYSA-N 2 2 339.374 3.345 20 0 EGADLP CC(C)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000186207392 153002013 /nfs/dbraw/zinc/00/20/13/153002013.db2.gz JAGLAIUXGIGHOC-UHFFFAOYSA-N 2 2 349.544 3.160 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1OC ZINC000190558387 153148558 /nfs/dbraw/zinc/14/85/58/153148558.db2.gz UGVQQDSQGZZNHS-DLBZAZTESA-N 2 2 347.503 3.185 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1OC ZINC000190558387 153148563 /nfs/dbraw/zinc/14/85/63/153148563.db2.gz UGVQQDSQGZZNHS-DLBZAZTESA-N 2 2 347.503 3.185 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191514337 153204755 /nfs/dbraw/zinc/20/47/55/153204755.db2.gz SSEFNHNVWOMPDO-QRWLVFNGSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191514337 153204756 /nfs/dbraw/zinc/20/47/56/153204756.db2.gz SSEFNHNVWOMPDO-QRWLVFNGSA-N 2 2 345.437 3.403 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000192732326 153255698 /nfs/dbraw/zinc/25/56/98/153255698.db2.gz VTBKEISPIUZHMW-ALOPSCKCSA-N 3 2 328.435 3.035 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000192732326 153255703 /nfs/dbraw/zinc/25/57/03/153255703.db2.gz VTBKEISPIUZHMW-ALOPSCKCSA-N 3 2 328.435 3.035 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415124973 309122125 /nfs/dbraw/zinc/12/21/25/309122125.db2.gz KSLQVQADYSBZLO-OCCSQVGLSA-N 2 2 326.868 3.164 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccs2)C1 ZINC000304945986 154078738 /nfs/dbraw/zinc/07/87/38/154078738.db2.gz CZUKXYVRDAUXIR-HHXXYDBFSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccs2)C1 ZINC000304945986 154078742 /nfs/dbraw/zinc/07/87/42/154078742.db2.gz CZUKXYVRDAUXIR-HHXXYDBFSA-N 2 2 330.497 3.381 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000305847792 154134559 /nfs/dbraw/zinc/13/45/59/154134559.db2.gz TWFRGYARJJSUPY-ZWKOTPCHSA-N 2 2 336.838 3.081 20 0 EGADLP OCCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCCC1 ZINC000305886485 154136257 /nfs/dbraw/zinc/13/62/57/154136257.db2.gz YJBKHALQJSLDBY-UHFFFAOYSA-N 2 2 336.442 3.326 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250930 154142271 /nfs/dbraw/zinc/14/22/71/154142271.db2.gz KKCRSRXTLIQTQG-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250930 154142275 /nfs/dbraw/zinc/14/22/75/154142275.db2.gz KKCRSRXTLIQTQG-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250930 154142278 /nfs/dbraw/zinc/14/22/78/154142278.db2.gz KKCRSRXTLIQTQG-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250930 154142279 /nfs/dbraw/zinc/14/22/79/154142279.db2.gz KKCRSRXTLIQTQG-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000310592815 154143274 /nfs/dbraw/zinc/14/32/74/154143274.db2.gz OUOMWXOPJNUHDI-SFHVURJKSA-N 2 2 339.483 3.057 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000310592815 154143277 /nfs/dbraw/zinc/14/32/77/154143277.db2.gz OUOMWXOPJNUHDI-SFHVURJKSA-N 2 2 339.483 3.057 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1OC ZINC000310716735 154143360 /nfs/dbraw/zinc/14/33/60/154143360.db2.gz WQWOVOQXSYTKEP-VQIMIIECSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1OC ZINC000310716735 154143362 /nfs/dbraw/zinc/14/33/62/154143362.db2.gz WQWOVOQXSYTKEP-VQIMIIECSA-N 2 2 340.467 3.456 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777982 154165325 /nfs/dbraw/zinc/16/53/25/154165325.db2.gz LYUXKMAMFPCJNY-RCBQFDQVSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777982 154165328 /nfs/dbraw/zinc/16/53/28/154165328.db2.gz LYUXKMAMFPCJNY-RCBQFDQVSA-N 2 2 328.378 3.219 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000337373529 154316503 /nfs/dbraw/zinc/31/65/03/154316503.db2.gz FFLAXDNPAJQUPT-ZMSDIMECSA-N 2 2 332.488 3.158 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000337373529 154316504 /nfs/dbraw/zinc/31/65/04/154316504.db2.gz FFLAXDNPAJQUPT-ZMSDIMECSA-N 2 2 332.488 3.158 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC000345310385 156050264 /nfs/dbraw/zinc/05/02/64/156050264.db2.gz XAYRTXGZZJRTTL-YDVWWWKISA-N 2 2 344.503 3.029 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2c[nH+]c3ccc(C)cn23)o1 ZINC000349036128 156325056 /nfs/dbraw/zinc/32/50/56/156325056.db2.gz MQTIHTQPARPOCP-UHFFFAOYSA-N 2 2 326.444 3.108 20 0 EGADLP Cc1ccc2[nH+]cc(CN(CC[NH+](C)C)Cc3cccc(F)c3)n2c1 ZINC000349037997 156327480 /nfs/dbraw/zinc/32/74/80/156327480.db2.gz ULKOZRIAIRHDLT-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000362198450 157070043 /nfs/dbraw/zinc/07/00/43/157070043.db2.gz KVVMXDLWPKVYDY-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(F)cc1Br ZINC000362198450 157070045 /nfs/dbraw/zinc/07/00/45/157070045.db2.gz KVVMXDLWPKVYDY-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000365641881 157203226 /nfs/dbraw/zinc/20/32/26/157203226.db2.gz VYVHHTFFICJIFW-AWEZNQCLSA-N 2 2 346.862 3.282 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000365641881 157203229 /nfs/dbraw/zinc/20/32/29/157203229.db2.gz VYVHHTFFICJIFW-AWEZNQCLSA-N 2 2 346.862 3.282 20 0 EGADLP CC(C)c1cnc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000368619425 157243370 /nfs/dbraw/zinc/24/33/70/157243370.db2.gz ZUBDURDWWUKFOT-UHFFFAOYSA-N 2 2 337.533 3.201 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1F ZINC000368809097 157295312 /nfs/dbraw/zinc/29/53/12/157295312.db2.gz GGNXIQSBTPSQFD-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1F ZINC000368809097 157295314 /nfs/dbraw/zinc/29/53/14/157295314.db2.gz GGNXIQSBTPSQFD-OIISXLGYSA-N 2 2 326.843 3.163 20 0 EGADLP C[N@H+](Cc1nc2ccccc2[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122360057 162248211 /nfs/dbraw/zinc/24/82/11/162248211.db2.gz ZIQMQASUNFTTSA-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[N@@H+](Cc1nc2ccccc2[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000122360057 162248215 /nfs/dbraw/zinc/24/82/15/162248215.db2.gz ZIQMQASUNFTTSA-UHFFFAOYSA-N 2 2 349.482 3.097 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129286403 162352004 /nfs/dbraw/zinc/35/20/04/162352004.db2.gz SPLRXDMNLGYKML-QGZVFWFLSA-N 2 2 348.450 3.229 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000130627878 162373769 /nfs/dbraw/zinc/37/37/69/162373769.db2.gz JPZZJYZIVSTJNF-MRXNPFEDSA-N 2 2 348.450 3.354 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000248862673 163039977 /nfs/dbraw/zinc/03/99/77/163039977.db2.gz MMTFILBRNJEIQM-FXAWDEMLSA-N 2 2 344.499 3.345 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000248862673 163039980 /nfs/dbraw/zinc/03/99/80/163039980.db2.gz MMTFILBRNJEIQM-FXAWDEMLSA-N 2 2 344.499 3.345 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000338924704 163389784 /nfs/dbraw/zinc/38/97/84/163389784.db2.gz JNWJQQJGJCUZOL-QGZVFWFLSA-N 2 2 345.531 3.453 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000338924704 163389788 /nfs/dbraw/zinc/38/97/88/163389788.db2.gz JNWJQQJGJCUZOL-QGZVFWFLSA-N 2 2 345.531 3.453 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856171 164051427 /nfs/dbraw/zinc/05/14/27/164051427.db2.gz JDDDDJMRDURZCZ-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856171 164051428 /nfs/dbraw/zinc/05/14/28/164051428.db2.gz JDDDDJMRDURZCZ-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856171 164051429 /nfs/dbraw/zinc/05/14/29/164051429.db2.gz JDDDDJMRDURZCZ-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856171 164051430 /nfs/dbraw/zinc/05/14/30/164051430.db2.gz JDDDDJMRDURZCZ-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CCC1(CC)[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1OC ZINC000344037331 164088177 /nfs/dbraw/zinc/08/81/77/164088177.db2.gz WVUBKJRICGTXKT-WOJBJXKFSA-N 2 2 346.515 3.202 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107089 164104634 /nfs/dbraw/zinc/10/46/34/164104634.db2.gz RFIPAQYPNSKVMI-ZWKOTPCHSA-N 2 2 349.494 3.232 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107089 164104636 /nfs/dbraw/zinc/10/46/36/164104636.db2.gz RFIPAQYPNSKVMI-ZWKOTPCHSA-N 2 2 349.494 3.232 20 0 EGADLP CCCCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(C)C ZINC000344166236 164117860 /nfs/dbraw/zinc/11/78/60/164117860.db2.gz KHGSFXFTZDZAGB-ZWKOTPCHSA-N 2 2 340.552 3.449 20 0 EGADLP CCCCO[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(C)C ZINC000344166235 164118217 /nfs/dbraw/zinc/11/82/17/164118217.db2.gz KHGSFXFTZDZAGB-ROUUACIJSA-N 2 2 340.552 3.449 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000354823750 166041595 /nfs/dbraw/zinc/04/15/95/166041595.db2.gz XRNUXNMSSPZFSU-UHFFFAOYSA-N 2 2 344.503 3.322 20 0 EGADLP CC[N@H+](CCCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1 ZINC000345936981 164299639 /nfs/dbraw/zinc/29/96/39/164299639.db2.gz ULRXIRGQQYPRNM-UHFFFAOYSA-N 2 2 339.483 3.395 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1 ZINC000345936981 164299640 /nfs/dbraw/zinc/29/96/40/164299640.db2.gz ULRXIRGQQYPRNM-UHFFFAOYSA-N 2 2 339.483 3.395 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000345999090 164313775 /nfs/dbraw/zinc/31/37/75/164313775.db2.gz SSMZINLJAHUASR-UHFFFAOYSA-N 2 2 349.563 3.362 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000345999090 164313777 /nfs/dbraw/zinc/31/37/77/164313777.db2.gz SSMZINLJAHUASR-UHFFFAOYSA-N 2 2 349.563 3.362 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172368 164356235 /nfs/dbraw/zinc/35/62/35/164356235.db2.gz LMGWUQNQBUQMRL-AWEZNQCLSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172368 164356236 /nfs/dbraw/zinc/35/62/36/164356236.db2.gz LMGWUQNQBUQMRL-AWEZNQCLSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172368 164356237 /nfs/dbraw/zinc/35/62/37/164356237.db2.gz LMGWUQNQBUQMRL-AWEZNQCLSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172368 164356238 /nfs/dbraw/zinc/35/62/38/164356238.db2.gz LMGWUQNQBUQMRL-AWEZNQCLSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(CN3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172368 164356239 /nfs/dbraw/zinc/35/62/39/164356239.db2.gz LMGWUQNQBUQMRL-AWEZNQCLSA-N 2 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(CN3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172368 164356240 /nfs/dbraw/zinc/35/62/40/164356240.db2.gz LMGWUQNQBUQMRL-AWEZNQCLSA-N 2 2 345.516 3.012 20 0 EGADLP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000346313350 164367394 /nfs/dbraw/zinc/36/73/94/164367394.db2.gz PSHZFYFUROSAOQ-HNNXBMFYSA-N 2 2 333.863 3.500 20 0 EGADLP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000346313350 164367396 /nfs/dbraw/zinc/36/73/96/164367396.db2.gz PSHZFYFUROSAOQ-HNNXBMFYSA-N 2 2 333.863 3.500 20 0 EGADLP [NH3+]CCCN(Cc1c[nH+]c2ccc(Cl)cn12)c1cccc(F)c1 ZINC000346364184 164375088 /nfs/dbraw/zinc/37/50/88/164375088.db2.gz NMXMCTMLOTWPAM-UHFFFAOYSA-N 2 2 332.810 3.482 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)Cn1cc[nH+]c1 ZINC000352261244 165315700 /nfs/dbraw/zinc/31/57/00/165315700.db2.gz MZUOLNHQTRUTAH-AWEZNQCLSA-N 2 2 328.441 3.448 20 0 EGADLP Cc1cc(C(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)[nH]1 ZINC000352365770 165365113 /nfs/dbraw/zinc/36/51/13/165365113.db2.gz WRFKSILEIJZTCM-UHFFFAOYSA-N 2 2 327.428 3.061 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000352368674 165366882 /nfs/dbraw/zinc/36/68/82/165366882.db2.gz JXVUSQTWYTWZSC-KRWDZBQOSA-N 2 2 347.503 3.126 20 0 EGADLP CCCOc1cccc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c12 ZINC000355672916 166280243 /nfs/dbraw/zinc/28/02/43/166280243.db2.gz RYMBJZIFBDSBSZ-UHFFFAOYSA-N 2 2 329.444 3.158 20 0 EGADLP CCCOc1cccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c12 ZINC000355672916 166280244 /nfs/dbraw/zinc/28/02/44/166280244.db2.gz RYMBJZIFBDSBSZ-UHFFFAOYSA-N 2 2 329.444 3.158 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000357471740 166689641 /nfs/dbraw/zinc/68/96/41/166689641.db2.gz GDGZUZFYBQTQMO-SFHVURJKSA-N 2 2 346.519 3.092 20 0 EGADLP COCc1cc(N(C)CC2([NH+](C)C)CCC2)c2cc(F)ccc2[nH+]1 ZINC000357710603 166752450 /nfs/dbraw/zinc/75/24/50/166752450.db2.gz XCTYFMMJDSFKEU-UHFFFAOYSA-N 2 2 331.435 3.441 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000359068673 167057069 /nfs/dbraw/zinc/05/70/69/167057069.db2.gz VYGFZABXDQUJBI-VQTJNVASSA-N 2 2 340.467 3.204 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000359068673 167057072 /nfs/dbraw/zinc/05/70/72/167057072.db2.gz VYGFZABXDQUJBI-VQTJNVASSA-N 2 2 340.467 3.204 20 0 EGADLP c1csc(N2CCC([NH2+]Cc3cccc(-n4cc[nH+]c4)c3)CC2)n1 ZINC000359115232 167071396 /nfs/dbraw/zinc/07/13/96/167071396.db2.gz MBOLBWCJFYGASK-UHFFFAOYSA-N 2 2 339.468 3.087 20 0 EGADLP [NH3+]CCCN(Cc1[nH+]ccn1Cc1ccccc1)Cc1ccccc1 ZINC000359287707 167115885 /nfs/dbraw/zinc/11/58/85/167115885.db2.gz ZBJIDPIOWKZLPJ-UHFFFAOYSA-N 2 2 334.467 3.282 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000359583515 167200648 /nfs/dbraw/zinc/20/06/48/167200648.db2.gz PZPNFVKYBVOXTB-AWEZNQCLSA-N 2 2 345.468 3.203 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000359748105 167221820 /nfs/dbraw/zinc/22/18/20/167221820.db2.gz LYOXLAPFNGRADU-UHFFFAOYSA-N 2 2 335.455 3.402 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21)C[NH+]1CCCC1 ZINC000360233274 167277505 /nfs/dbraw/zinc/27/75/05/167277505.db2.gz GMPTYJUGEJPPGN-PWSUYJOCSA-N 2 2 349.327 3.479 20 0 EGADLP Cc1cc(NCC[NH+]2CCN(C)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360278148 167288125 /nfs/dbraw/zinc/28/81/25/167288125.db2.gz IEACGLZBNYGTKI-UHFFFAOYSA-N 2 2 332.879 3.164 20 0 EGADLP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000360335835 167305201 /nfs/dbraw/zinc/30/52/01/167305201.db2.gz HZAPUDXJYNXMDV-HKUYNNGSSA-N 2 2 335.451 3.374 20 0 EGADLP CC(C)c1cc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000365973663 168066065 /nfs/dbraw/zinc/06/60/65/168066065.db2.gz DVTVLEKDAPRYLL-INIZCTEOSA-N 2 2 346.519 3.413 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000366794335 168141679 /nfs/dbraw/zinc/14/16/79/168141679.db2.gz ZGOSGHJRTVEHAS-MOPGFXCFSA-N 2 2 326.488 3.168 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000366794335 168141680 /nfs/dbraw/zinc/14/16/80/168141680.db2.gz ZGOSGHJRTVEHAS-MOPGFXCFSA-N 2 2 326.488 3.168 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000367123415 168181332 /nfs/dbraw/zinc/18/13/32/168181332.db2.gz RBGKADKUTMEVRM-IBGZPJMESA-N 3 2 326.488 3.224 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000367123415 168181334 /nfs/dbraw/zinc/18/13/34/168181334.db2.gz RBGKADKUTMEVRM-IBGZPJMESA-N 3 2 326.488 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000367377047 168217522 /nfs/dbraw/zinc/21/75/22/168217522.db2.gz GMYINKDERYTXTR-CYBMUJFWSA-N 2 2 347.846 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000367377047 168217525 /nfs/dbraw/zinc/21/75/25/168217525.db2.gz GMYINKDERYTXTR-CYBMUJFWSA-N 2 2 347.846 3.224 20 0 EGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367434930 168225090 /nfs/dbraw/zinc/22/50/90/168225090.db2.gz AEFSQMVUOIUJQA-INIZCTEOSA-N 2 2 343.471 3.348 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439590 168225953 /nfs/dbraw/zinc/22/59/53/168225953.db2.gz VTDWQMBPKJTWOY-HNNXBMFYSA-N 2 2 326.444 3.035 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1Cl ZINC000367865159 168277931 /nfs/dbraw/zinc/27/79/31/168277931.db2.gz QQVXRENKPGJJQY-RHSMWYFYSA-N 2 2 336.794 3.061 20 0 EGADLP O[C@H](C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccc(F)cc1Cl ZINC000367865159 168277933 /nfs/dbraw/zinc/27/79/33/168277933.db2.gz QQVXRENKPGJJQY-RHSMWYFYSA-N 2 2 336.794 3.061 20 0 EGADLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccco1 ZINC000167250752 226184467 /nfs/dbraw/zinc/18/44/67/226184467.db2.gz FSOSLKPXBIJYNL-IBGZPJMESA-N 2 2 348.874 3.395 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000166775069 226170426 /nfs/dbraw/zinc/17/04/26/226170426.db2.gz HYRUGGCKDZHRAG-GJZGRUSLSA-N 2 2 335.517 3.346 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000166775069 226170430 /nfs/dbraw/zinc/17/04/30/226170430.db2.gz HYRUGGCKDZHRAG-GJZGRUSLSA-N 2 2 335.517 3.346 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000122877971 222175840 /nfs/dbraw/zinc/17/58/40/222175840.db2.gz ZKYLQESIEKYBTF-MAUKXSAKSA-N 2 2 340.471 3.330 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000122877971 222175843 /nfs/dbraw/zinc/17/58/43/222175843.db2.gz ZKYLQESIEKYBTF-MAUKXSAKSA-N 2 2 340.471 3.330 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124211026 222391677 /nfs/dbraw/zinc/39/16/77/222391677.db2.gz JNEKNUDWCXHQPH-UHFFFAOYSA-N 2 2 341.411 3.328 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124211026 222391681 /nfs/dbraw/zinc/39/16/81/222391681.db2.gz JNEKNUDWCXHQPH-UHFFFAOYSA-N 2 2 341.411 3.328 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccccc2C)CC1 ZINC000179394159 265375243 /nfs/dbraw/zinc/37/52/43/265375243.db2.gz BQWQNBLYISZTKL-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000179394159 265375248 /nfs/dbraw/zinc/37/52/48/265375248.db2.gz BQWQNBLYISZTKL-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP C[C@@H]1CCC[C@](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000194664566 266134684 /nfs/dbraw/zinc/13/46/84/266134684.db2.gz LQYXVLFJYSWMAU-UZLBHIALSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000223060577 266196219 /nfs/dbraw/zinc/19/62/19/266196219.db2.gz ZCKOLWNKNMDXDN-INIZCTEOSA-N 2 2 337.305 3.380 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000223060577 266196222 /nfs/dbraw/zinc/19/62/22/266196222.db2.gz ZCKOLWNKNMDXDN-INIZCTEOSA-N 2 2 337.305 3.380 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237485661 266234960 /nfs/dbraw/zinc/23/49/60/266234960.db2.gz DEMRFODXKKGSEB-HNNXBMFYSA-N 2 2 349.906 3.064 20 0 EGADLP [NH3+]C[C@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000237888039 266248932 /nfs/dbraw/zinc/24/89/32/266248932.db2.gz MGLAHFNLSQZWLH-CYBMUJFWSA-N 2 2 345.830 3.338 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269646445 266334290 /nfs/dbraw/zinc/33/42/90/266334290.db2.gz PJFCCWYFSKSVRJ-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269646445 266334292 /nfs/dbraw/zinc/33/42/92/266334292.db2.gz PJFCCWYFSKSVRJ-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)nnn1-c1ccc(C)cc1 ZINC000271460634 266666914 /nfs/dbraw/zinc/66/69/14/266666914.db2.gz KALVMDZMJYWDIR-MRXNPFEDSA-N 2 2 341.503 3.408 20 0 EGADLP COc1cccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000272182642 266787559 /nfs/dbraw/zinc/78/75/59/266787559.db2.gz GBSZZWHAJJZWON-YJBOKZPZSA-N 2 2 340.471 3.404 20 0 EGADLP CCc1ccc(-c2noc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)n2)cc1 ZINC000273276844 267011023 /nfs/dbraw/zinc/01/10/23/267011023.db2.gz FZRLDOZYRZCFAZ-CQSZACIVSA-N 2 2 325.416 3.236 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[C@@]12CCCO2 ZINC000274173491 267193252 /nfs/dbraw/zinc/19/32/52/267193252.db2.gz HYQYEJCRUXYSJJ-NMLACTOBSA-N 2 2 341.455 3.250 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274783563 267286332 /nfs/dbraw/zinc/28/63/32/267286332.db2.gz AEGXINXGHYAVAJ-IEBWSBKVSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274783563 267286335 /nfs/dbraw/zinc/28/63/35/267286335.db2.gz AEGXINXGHYAVAJ-IEBWSBKVSA-N 2 2 326.488 3.464 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000274819281 267291652 /nfs/dbraw/zinc/29/16/52/267291652.db2.gz RTAUSUISFARXNS-YWZLYKJASA-N 2 2 337.467 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000274819281 267291655 /nfs/dbraw/zinc/29/16/55/267291655.db2.gz RTAUSUISFARXNS-YWZLYKJASA-N 2 2 337.467 3.330 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000278556843 268038796 /nfs/dbraw/zinc/03/87/96/268038796.db2.gz WGIUDQUNDWJOIR-FXAWDEMLSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000278556843 268038799 /nfs/dbraw/zinc/03/87/99/268038799.db2.gz WGIUDQUNDWJOIR-FXAWDEMLSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000278556874 268039106 /nfs/dbraw/zinc/03/91/06/268039106.db2.gz WGIUDQUNDWJOIR-XLIONFOSSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000278556874 268039107 /nfs/dbraw/zinc/03/91/07/268039107.db2.gz WGIUDQUNDWJOIR-XLIONFOSSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246211406 274203084 /nfs/dbraw/zinc/20/30/84/274203084.db2.gz XXIUSZVGSALANB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246211406 274203085 /nfs/dbraw/zinc/20/30/85/274203085.db2.gz XXIUSZVGSALANB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246211406 274203087 /nfs/dbraw/zinc/20/30/87/274203087.db2.gz XXIUSZVGSALANB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246211406 274203088 /nfs/dbraw/zinc/20/30/88/274203088.db2.gz XXIUSZVGSALANB-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(OC)cc1 ZINC000271769735 275238004 /nfs/dbraw/zinc/23/80/04/275238004.db2.gz FBMPXQSJPXZDGJ-LJQANCHMSA-N 2 2 348.487 3.154 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2C)C2CC2)CC1 ZINC000271771088 275238201 /nfs/dbraw/zinc/23/82/01/275238201.db2.gz FFXSEISUMRTOKA-OAQYLSRUSA-N 2 2 344.499 3.453 20 0 EGADLP Cc1nc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000278755419 275271947 /nfs/dbraw/zinc/27/19/47/275271947.db2.gz XKJBWSIATAAWCV-OAHLLOKOSA-N 2 2 328.460 3.283 20 0 EGADLP Cc1nc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000278755419 275271949 /nfs/dbraw/zinc/27/19/49/275271949.db2.gz XKJBWSIATAAWCV-OAHLLOKOSA-N 2 2 328.460 3.283 20 0 EGADLP CCCCc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)no1 ZINC000278837713 275279549 /nfs/dbraw/zinc/27/95/49/275279549.db2.gz IYJAKTDLBWCHGQ-UHFFFAOYSA-N 2 2 343.475 3.325 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000279331628 275323231 /nfs/dbraw/zinc/32/32/31/275323231.db2.gz CTVXQZGXIYKONM-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000281848471 275582076 /nfs/dbraw/zinc/58/20/76/275582076.db2.gz BAZPDHLCUVODCE-UHFFFAOYSA-N 2 2 340.493 3.066 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393448 276074734 /nfs/dbraw/zinc/07/47/34/276074734.db2.gz LEWOAYHJIYHOHL-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393448 276074736 /nfs/dbraw/zinc/07/47/36/276074736.db2.gz LEWOAYHJIYHOHL-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393448 276074738 /nfs/dbraw/zinc/07/47/38/276074738.db2.gz LEWOAYHJIYHOHL-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393448 276074739 /nfs/dbraw/zinc/07/47/39/276074739.db2.gz LEWOAYHJIYHOHL-ZWKOTPCHSA-N 2 2 331.504 3.212 20 0 EGADLP COCC(C)(C)CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000287046434 276075821 /nfs/dbraw/zinc/07/58/21/276075821.db2.gz IINYZXSQPIMJFU-UHFFFAOYSA-N 2 2 340.431 3.075 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121761402 276090082 /nfs/dbraw/zinc/09/00/82/276090082.db2.gz MIPMWIFNLOXCFY-MJGOQNOKSA-N 2 2 331.504 3.060 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000121761661 276090089 /nfs/dbraw/zinc/09/00/89/276090089.db2.gz MIPMWIFNLOXCFY-IEBWSBKVSA-N 2 2 331.504 3.060 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)CC1 ZINC000287183029 276093558 /nfs/dbraw/zinc/09/35/58/276093558.db2.gz VHQXZCWCHBHYAX-HXUWFJFHSA-N 2 2 333.520 3.150 20 0 EGADLP Clc1cccc2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000287202623 276096006 /nfs/dbraw/zinc/09/60/06/276096006.db2.gz HVCIELPJLXWXDN-AWEZNQCLSA-N 2 2 331.847 3.047 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1nncn1C ZINC000287203488 276096220 /nfs/dbraw/zinc/09/62/20/276096220.db2.gz LYMZCXLOFJASHU-MRXNPFEDSA-N 2 2 327.476 3.042 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000287620886 276140613 /nfs/dbraw/zinc/14/06/13/276140613.db2.gz JUSMINFHKJYHQF-ZFWWWQNUSA-N 2 2 325.334 3.072 20 0 EGADLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)c(OC)c1OC ZINC000289274709 276314500 /nfs/dbraw/zinc/31/45/00/276314500.db2.gz NYQCBYHGAOFLMV-UHFFFAOYSA-N 2 2 330.428 3.138 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000289348965 276325765 /nfs/dbraw/zinc/32/57/65/276325765.db2.gz GXPIHFYKMAAJEY-UHFFFAOYSA-N 2 2 338.451 3.411 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000289776784 276392436 /nfs/dbraw/zinc/39/24/36/276392436.db2.gz MMZQYDMHBPQQPI-HNNXBMFYSA-N 2 2 335.455 3.493 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cs1 ZINC000289782965 276393633 /nfs/dbraw/zinc/39/36/33/276393633.db2.gz MWIBDIMNCQOOOG-AWEZNQCLSA-N 2 2 349.500 3.081 20 0 EGADLP OC[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1c1ccccc1 ZINC000289802986 276397624 /nfs/dbraw/zinc/39/76/24/276397624.db2.gz LBCHWBGDAIBEEK-NHCUHLMSSA-N 2 2 333.435 3.128 20 0 EGADLP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000292071434 276729540 /nfs/dbraw/zinc/72/95/40/276729540.db2.gz LCOHGECQGDYOSU-CQSZACIVSA-N 2 2 326.444 3.233 20 0 EGADLP C[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000267179545 277030828 /nfs/dbraw/zinc/03/08/28/277030828.db2.gz BITUGSOSCUSLQK-QGZVFWFLSA-N 2 2 339.886 3.300 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246112698 278177022 /nfs/dbraw/zinc/17/70/22/278177022.db2.gz FJOARMBOJBLBIV-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246112698 278177024 /nfs/dbraw/zinc/17/70/24/278177024.db2.gz FJOARMBOJBLBIV-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246112698 278177026 /nfs/dbraw/zinc/17/70/26/278177026.db2.gz FJOARMBOJBLBIV-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246112698 278177028 /nfs/dbraw/zinc/17/70/28/278177028.db2.gz FJOARMBOJBLBIV-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)cn1 ZINC000414058907 309058285 /nfs/dbraw/zinc/05/82/85/309058285.db2.gz IAWCWNGEHXKRJO-HNNXBMFYSA-N 2 2 338.455 3.359 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000138179137 307719281 /nfs/dbraw/zinc/71/92/81/307719281.db2.gz OFBOWZCODAZMHD-UYAOXDASSA-N 2 2 326.488 3.334 20 0 EGADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3c[nH+]c(N(C)C)n3C)oc21 ZINC000414248830 309068721 /nfs/dbraw/zinc/06/87/21/309068721.db2.gz DYCXNTDIFXTJAX-CYBMUJFWSA-N 2 2 342.443 3.482 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1Cl ZINC000158900984 307865376 /nfs/dbraw/zinc/86/53/76/307865376.db2.gz ZVAYKKVGFLWVIY-GOEBONIOSA-N 2 2 340.895 3.092 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1nc(-c2ccccc2)cs1 ZINC000414336450 309073715 /nfs/dbraw/zinc/07/37/15/309073715.db2.gz JXZVWAKVOOBZQK-CYBMUJFWSA-N 2 2 341.484 3.460 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)n1C ZINC000414348846 309074440 /nfs/dbraw/zinc/07/44/40/309074440.db2.gz SBTVQOWOHQXHCL-UHFFFAOYSA-N 2 2 330.476 3.091 20 0 EGADLP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414355736 309074762 /nfs/dbraw/zinc/07/47/62/309074762.db2.gz APGIERLPEQWJRH-BLLLJJGKSA-N 2 2 336.867 3.005 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005336 /nfs/dbraw/zinc/00/53/36/308005336.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005337 /nfs/dbraw/zinc/00/53/37/308005337.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005338 /nfs/dbraw/zinc/00/53/38/308005338.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000248547224 308005339 /nfs/dbraw/zinc/00/53/39/308005339.db2.gz GAYHQLPOQVPIQG-JRGCBEDISA-N 3 2 329.532 3.217 20 0 EGADLP C[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249207410 308021289 /nfs/dbraw/zinc/02/12/89/308021289.db2.gz WQMQNALBVQQXRT-IIDMSEBBSA-N 2 2 330.451 3.348 20 0 EGADLP C[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000249207410 308021291 /nfs/dbraw/zinc/02/12/91/308021291.db2.gz WQMQNALBVQQXRT-IIDMSEBBSA-N 2 2 330.451 3.348 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000252480947 308032252 /nfs/dbraw/zinc/03/22/52/308032252.db2.gz HHQLDFBJQMKKLW-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000252480947 308032253 /nfs/dbraw/zinc/03/22/53/308032253.db2.gz HHQLDFBJQMKKLW-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000263635698 308065329 /nfs/dbraw/zinc/06/53/29/308065329.db2.gz BKHOXHGRRIEMBZ-FANKGXDISA-N 2 2 345.506 3.329 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000263635698 308065331 /nfs/dbraw/zinc/06/53/31/308065331.db2.gz BKHOXHGRRIEMBZ-FANKGXDISA-N 2 2 345.506 3.329 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)co2)cc1 ZINC000292907223 308078663 /nfs/dbraw/zinc/07/86/63/308078663.db2.gz HAIAEMVYQPVCOF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)co2)cc1 ZINC000292907223 308078665 /nfs/dbraw/zinc/07/86/65/308078665.db2.gz HAIAEMVYQPVCOF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)co2)cc1 ZINC000292907223 308078667 /nfs/dbraw/zinc/07/86/67/308078667.db2.gz HAIAEMVYQPVCOF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)co2)cc1 ZINC000292907223 308078669 /nfs/dbraw/zinc/07/86/69/308078669.db2.gz HAIAEMVYQPVCOF-HXUWFJFHSA-N 2 2 341.455 3.268 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1 ZINC000293114651 308100631 /nfs/dbraw/zinc/10/06/31/308100631.db2.gz XPEOEGUSLZKHPY-CQSZACIVSA-N 2 2 336.430 3.367 20 0 EGADLP CC1CC[NH+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293651624 308149736 /nfs/dbraw/zinc/14/97/36/308149736.db2.gz IPZNMVLLXQPPME-MRXNPFEDSA-N 2 2 333.505 3.057 20 0 EGADLP Brc1cc2c(s1)CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000293769081 308160307 /nfs/dbraw/zinc/16/03/07/308160307.db2.gz PKVYTQQRJGGKSI-LLVKDONJSA-N 2 2 326.263 3.374 20 0 EGADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C(=O)OC)cc1 ZINC000293849878 308167645 /nfs/dbraw/zinc/16/76/45/308167645.db2.gz UBBLWJUSIQWJSG-GOSISDBHSA-N 2 2 337.423 3.404 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CS[C@H](C)C3)c[nH+]c12 ZINC000414498948 309084851 /nfs/dbraw/zinc/08/48/51/309084851.db2.gz NUBVSUKORYKJGL-ZYHUDNBSSA-N 2 2 340.290 3.389 20 0 EGADLP CC[C@@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+](CC)CC ZINC000294213916 308200372 /nfs/dbraw/zinc/20/03/72/308200372.db2.gz PLOYXPFJSGZHJU-DLBZAZTESA-N 2 2 328.460 3.078 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1)C(C)C ZINC000294477765 308224569 /nfs/dbraw/zinc/22/45/69/308224569.db2.gz IZYXPLFGMAPNGV-UHFFFAOYSA-N 2 2 341.455 3.251 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1)C(C)C ZINC000294477765 308224570 /nfs/dbraw/zinc/22/45/70/308224570.db2.gz IZYXPLFGMAPNGV-UHFFFAOYSA-N 2 2 341.455 3.251 20 0 EGADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000294659096 308243330 /nfs/dbraw/zinc/24/33/30/308243330.db2.gz CLRVUJLQZKFSEK-MSOLQXFVSA-N 2 2 345.874 3.067 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000294769535 308254683 /nfs/dbraw/zinc/25/46/83/308254683.db2.gz KAJPOTGITPVURV-NVXWUHKLSA-N 2 2 327.476 3.071 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]1 ZINC000294769535 308254685 /nfs/dbraw/zinc/25/46/85/308254685.db2.gz KAJPOTGITPVURV-NVXWUHKLSA-N 2 2 327.476 3.071 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129867 308295006 /nfs/dbraw/zinc/29/50/06/308295006.db2.gz OIMSQDMDVPPEJZ-VQTJNVASSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129867 308295008 /nfs/dbraw/zinc/29/50/08/308295008.db2.gz OIMSQDMDVPPEJZ-VQTJNVASSA-N 2 2 332.463 3.198 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295143353 308296475 /nfs/dbraw/zinc/29/64/75/308296475.db2.gz QFCXJHFTABMEGO-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295143353 308296477 /nfs/dbraw/zinc/29/64/77/308296477.db2.gz QFCXJHFTABMEGO-WMLDXEAASA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000295146920 308296881 /nfs/dbraw/zinc/29/68/81/308296881.db2.gz QPYPEHQFQKZGDW-XPGWFJOJSA-N 2 2 334.479 3.492 20 0 EGADLP Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1F ZINC000295339522 308315994 /nfs/dbraw/zinc/31/59/94/308315994.db2.gz BGEBNMHDUKQYGY-UHFFFAOYSA-N 2 2 328.431 3.256 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@H]1CCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000296113980 308395078 /nfs/dbraw/zinc/39/50/78/308395078.db2.gz UZNJEXXHQCBFME-ROUUACIJSA-N 2 2 328.460 3.009 20 0 EGADLP C[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1(C[NH3+])CCC1 ZINC000414798842 309102080 /nfs/dbraw/zinc/10/20/80/309102080.db2.gz ZLQKXFXSPPIMBC-UHFFFAOYSA-N 2 2 338.377 3.204 20 0 EGADLP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1(C[NH3+])CCC1 ZINC000414798842 309102081 /nfs/dbraw/zinc/10/20/81/309102081.db2.gz ZLQKXFXSPPIMBC-UHFFFAOYSA-N 2 2 338.377 3.204 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000414821613 309103770 /nfs/dbraw/zinc/10/37/70/309103770.db2.gz FLEIZCBPRRYXCW-UHFFFAOYSA-N 2 2 325.172 3.167 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)CCC2 ZINC000331765950 308816772 /nfs/dbraw/zinc/81/67/72/308816772.db2.gz CDDBDXZQYPKFIU-MRXNPFEDSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cc(NC(=O)NC2CCC([NH3+])CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000332058498 308824988 /nfs/dbraw/zinc/82/49/88/308824988.db2.gz OOZMUAXRZRQPDO-FHERZECASA-N 2 2 345.491 3.160 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c[nH+]c1N1CCCC[C@H]1C ZINC000333169552 308851852 /nfs/dbraw/zinc/85/18/52/308851852.db2.gz PMTUQZTVOFPSBC-BFYDXBDKSA-N 2 2 345.491 3.031 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376717336 308900312 /nfs/dbraw/zinc/90/03/12/308900312.db2.gz QQQPFPPFCDVNMY-UHFFFAOYSA-N 2 2 337.370 3.119 20 0 EGADLP COc1ccc2[nH+]c3c(c(N4CCn5c[nH+]cc5C4)c2c1)CCCC3 ZINC000413313144 309026222 /nfs/dbraw/zinc/02/62/22/309026222.db2.gz RETVGGFXFRVQRA-UHFFFAOYSA-N 2 2 334.423 3.339 20 0 EGADLP c1c(C[NH2+][C@@H]2CC[NH2+]C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414862879 309106099 /nfs/dbraw/zinc/10/60/99/309106099.db2.gz ADCYRIJUUHZVKS-HXUWFJFHSA-N 2 2 332.451 3.050 20 0 EGADLP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414866983 309106266 /nfs/dbraw/zinc/10/62/66/309106266.db2.gz FUBTZANLJRFXPJ-PWSUYJOCSA-N 2 2 342.283 3.010 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414864461 309106292 /nfs/dbraw/zinc/10/62/92/309106292.db2.gz CRUSBYXRVXOUAV-UHFFFAOYSA-N 2 2 344.503 3.403 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCC ZINC000414895025 309107856 /nfs/dbraw/zinc/10/78/56/309107856.db2.gz VFZNRPMBQWOIGU-OAHLLOKOSA-N 2 2 326.868 3.354 20 0 EGADLP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000415011019 309114058 /nfs/dbraw/zinc/11/40/58/309114058.db2.gz VQSYBEJXSUHDAF-RDJZCZTQSA-N 3 2 335.923 3.412 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000415055738 309116848 /nfs/dbraw/zinc/11/68/48/309116848.db2.gz OXVWBTWKPFEPST-OAHLLOKOSA-N 2 2 333.457 3.002 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415060581 309117627 /nfs/dbraw/zinc/11/76/27/309117627.db2.gz YTGLFZJFJLBAIZ-RBUKOAKNSA-N 2 2 326.488 3.100 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415070898 309118282 /nfs/dbraw/zinc/11/82/82/309118282.db2.gz VSMBONMJXARSKN-LIRRHRJNSA-N 2 2 343.446 3.395 20 0 EGADLP Clc1ccc(C2(C[NH2+][C@H]3CCC[NH2+]C3)CCOCC2)c(Cl)c1 ZINC000415085964 309119432 /nfs/dbraw/zinc/11/94/32/309119432.db2.gz JBCFRXYZHDNKKI-AWEZNQCLSA-N 2 2 343.298 3.383 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415124969 309121982 /nfs/dbraw/zinc/12/19/82/309121982.db2.gz KSLQVQADYSBZLO-GXTWGEPZSA-N 2 2 326.868 3.164 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415124969 309121983 /nfs/dbraw/zinc/12/19/83/309121983.db2.gz KSLQVQADYSBZLO-GXTWGEPZSA-N 2 2 326.868 3.164 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415124973 309122124 /nfs/dbraw/zinc/12/21/24/309122124.db2.gz KSLQVQADYSBZLO-OCCSQVGLSA-N 2 2 326.868 3.164 20 0 EGADLP C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415192440 309125718 /nfs/dbraw/zinc/12/57/18/309125718.db2.gz WYJUCDWETCEZQR-OAHLLOKOSA-N 2 2 326.400 3.090 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415965777 309151674 /nfs/dbraw/zinc/15/16/74/309151674.db2.gz VIGJRARTGXEHEV-UHFFFAOYSA-N 2 2 343.475 3.109 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000419291855 309263433 /nfs/dbraw/zinc/26/34/33/309263433.db2.gz LVMDWFARLRCNQP-ZDUSSCGKSA-N 2 2 335.879 3.274 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420286811 309279559 /nfs/dbraw/zinc/27/95/59/309279559.db2.gz FQSSOICOWKMTBR-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420286811 309279560 /nfs/dbraw/zinc/27/95/60/309279560.db2.gz FQSSOICOWKMTBR-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@H]1[NH3+] ZINC000420298302 309280196 /nfs/dbraw/zinc/28/01/96/309280196.db2.gz ZVJJUUKEMYZDCQ-VQIMIIECSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)CC[C@H]1[NH3+] ZINC000420298302 309280197 /nfs/dbraw/zinc/28/01/97/309280197.db2.gz ZVJJUUKEMYZDCQ-VQIMIIECSA-N 2 2 349.478 3.119 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420315918 309281568 /nfs/dbraw/zinc/28/15/68/309281568.db2.gz SFVUFBDWUNMFGO-ZDUSSCGKSA-N 2 2 332.469 3.262 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420315918 309281569 /nfs/dbraw/zinc/28/15/69/309281569.db2.gz SFVUFBDWUNMFGO-ZDUSSCGKSA-N 2 2 332.469 3.262 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000420353820 309283639 /nfs/dbraw/zinc/28/36/39/309283639.db2.gz AUFRWSPKWQOAAN-YYHMBLRTSA-N 2 2 344.286 3.297 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000420353813 309283740 /nfs/dbraw/zinc/28/37/40/309283740.db2.gz AUFRWSPKWQOAAN-BQVMBELUSA-N 2 2 344.286 3.297 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000420357181 309283826 /nfs/dbraw/zinc/28/38/26/309283826.db2.gz HPPVCEAXOXWWGA-OAHLLOKOSA-N 2 2 343.393 3.141 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000420363468 309284231 /nfs/dbraw/zinc/28/42/31/309284231.db2.gz NWZMXJXLUKRZCE-ZDUSSCGKSA-N 2 2 327.259 3.119 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000420363205 309284384 /nfs/dbraw/zinc/28/43/84/309284384.db2.gz BJJHNYRVTXAPRJ-UHFFFAOYSA-N 2 2 346.446 3.455 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000420363205 309284385 /nfs/dbraw/zinc/28/43/85/309284385.db2.gz BJJHNYRVTXAPRJ-UHFFFAOYSA-N 2 2 346.446 3.455 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000420366711 309284465 /nfs/dbraw/zinc/28/44/65/309284465.db2.gz MDGAEVTVALOERV-QINHECLXSA-N 2 2 325.456 3.137 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000420374293 309285000 /nfs/dbraw/zinc/28/50/00/309285000.db2.gz NJQPDCOLEQSNAA-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000420374293 309285001 /nfs/dbraw/zinc/28/50/01/309285001.db2.gz NJQPDCOLEQSNAA-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP C[NH+](C)C1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000420629080 309290858 /nfs/dbraw/zinc/29/08/58/309290858.db2.gz QOATUJMYUOCCQQ-UHFFFAOYSA-N 2 2 336.443 3.100 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000421369335 309320989 /nfs/dbraw/zinc/32/09/89/309320989.db2.gz HITCXLRSNIKQIH-HYXAFXHYSA-N 2 2 345.506 3.331 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000421369335 309320990 /nfs/dbraw/zinc/32/09/90/309320990.db2.gz HITCXLRSNIKQIH-HYXAFXHYSA-N 2 2 345.506 3.331 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422701555 309363872 /nfs/dbraw/zinc/36/38/72/309363872.db2.gz DGBNWJXLJZTNDT-DOMZBBRYSA-N 2 2 338.377 3.121 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422711221 309364119 /nfs/dbraw/zinc/36/41/19/309364119.db2.gz FPRLHIVTRZGYIK-GJZGRUSLSA-N 2 2 326.868 3.368 20 0 EGADLP C[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422721202 309364776 /nfs/dbraw/zinc/36/47/76/309364776.db2.gz NPWNYCKPBNOTKB-LIRRHRJNSA-N 2 2 337.458 3.049 20 0 EGADLP C[C@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422721202 309364777 /nfs/dbraw/zinc/36/47/77/309364777.db2.gz NPWNYCKPBNOTKB-LIRRHRJNSA-N 2 2 337.458 3.049 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422727064 309365262 /nfs/dbraw/zinc/36/52/62/309365262.db2.gz BLGFXCOVVFQDQR-QVKFZJNVSA-N 3 2 340.515 3.365 20 0 EGADLP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)cc1 ZINC000422773296 309367487 /nfs/dbraw/zinc/36/74/87/309367487.db2.gz ZSFUKNWWPYTSKG-FKBYEOEOSA-N 2 2 335.495 3.344 20 0 EGADLP Cc1ccc(N2CCC([NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)[nH+]c1 ZINC000422778755 309367836 /nfs/dbraw/zinc/36/78/36/309367836.db2.gz HTKXVROSEBGUTR-MJGOQNOKSA-N 3 2 330.520 3.259 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1Br ZINC000422780193 309367975 /nfs/dbraw/zinc/36/79/75/309367975.db2.gz HCDVFZLZCLTKFT-GYSYKLTISA-N 2 2 327.266 3.249 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](Cc1ccccc1)c1ccccc1 ZINC000422839996 309371246 /nfs/dbraw/zinc/37/12/46/309371246.db2.gz RVHZOEIDQQORSL-BVYCBKJFSA-N 2 2 338.495 3.370 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422839262 309371282 /nfs/dbraw/zinc/37/12/82/309371282.db2.gz ZODVLLIOGPQYGX-FXAWDEMLSA-N 3 2 338.499 3.164 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422839262 309371283 /nfs/dbraw/zinc/37/12/83/309371283.db2.gz ZODVLLIOGPQYGX-FXAWDEMLSA-N 3 2 338.499 3.164 20 0 EGADLP C[C@@H](NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422851950 309372128 /nfs/dbraw/zinc/37/21/28/309372128.db2.gz XNFUQYPKGMPTNF-XOKHGSTOSA-N 2 2 339.886 3.346 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(N2CCOCC2)c1 ZINC000422865417 309372790 /nfs/dbraw/zinc/37/27/90/309372790.db2.gz OSCOQPVKDRJJRD-WOJBJXKFSA-N 2 2 337.467 3.066 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422868072 309372910 /nfs/dbraw/zinc/37/29/10/309372910.db2.gz UHGVETOLDBFFLA-AEFFLSMTSA-N 2 2 326.440 3.336 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422879971 309373620 /nfs/dbraw/zinc/37/36/20/309373620.db2.gz WJLPKTQFHBZDEB-CPUCHLNUSA-N 2 2 336.451 3.032 20 0 EGADLP CC(C)[C@H](CN[C@H](C)c1c[nH+]ccc1N)[N@@H+]1CCc2ccccc2C1 ZINC000422934888 309376895 /nfs/dbraw/zinc/37/68/95/309376895.db2.gz GPYJYOQVSUWFDG-IERDGZPVSA-N 2 2 338.499 3.228 20 0 EGADLP CC(C)[C@H](CN[C@H](C)c1c[nH+]ccc1N)[N@H+]1CCc2ccccc2C1 ZINC000422934888 309376896 /nfs/dbraw/zinc/37/68/96/309376896.db2.gz GPYJYOQVSUWFDG-IERDGZPVSA-N 2 2 338.499 3.228 20 0 EGADLP CC(C)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@@H+]1CCc2ccccc2C1 ZINC000422934887 309376933 /nfs/dbraw/zinc/37/69/33/309376933.db2.gz GPYJYOQVSUWFDG-HRAATJIYSA-N 2 2 338.499 3.228 20 0 EGADLP CC(C)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)[N@H+]1CCc2ccccc2C1 ZINC000422934887 309376934 /nfs/dbraw/zinc/37/69/34/309376934.db2.gz GPYJYOQVSUWFDG-HRAATJIYSA-N 2 2 338.499 3.228 20 0 EGADLP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCC[NH2+]1 ZINC000422955579 309378023 /nfs/dbraw/zinc/37/80/23/309378023.db2.gz JPUINWJYQIXGDT-WFASDCNBSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422965350 309378821 /nfs/dbraw/zinc/37/88/21/309378821.db2.gz KVXNJLBVBJBOJG-OXJNMPFZSA-N 2 2 332.488 3.002 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422970843 309378861 /nfs/dbraw/zinc/37/88/61/309378861.db2.gz HCPJZPKKEQJRHQ-OXQOHEQNSA-N 2 2 339.483 3.451 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])c1ccco1 ZINC000422973401 309379081 /nfs/dbraw/zinc/37/90/81/309379081.db2.gz OKVBIZOQVRALTR-BHIYHBOVSA-N 2 2 329.488 3.211 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000422981899 309379258 /nfs/dbraw/zinc/37/92/58/309379258.db2.gz POZSXIVAOUFDCO-NJAFHUGGSA-N 2 2 330.497 3.389 20 0 EGADLP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000422996487 309379913 /nfs/dbraw/zinc/37/99/13/309379913.db2.gz SVUMCMFVPCZBPP-JLSDUUJJSA-N 2 2 332.394 3.081 20 0 EGADLP Cn1c(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)nc2cccc(Cl)c21 ZINC000423046372 309382799 /nfs/dbraw/zinc/38/27/99/309382799.db2.gz DKPSWKIRSMDKER-ZBFHGGJFSA-N 2 2 326.831 3.461 20 0 EGADLP CC[C@H]([NH2+]Cc1ccncc1OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423101185 309386013 /nfs/dbraw/zinc/38/60/13/309386013.db2.gz IGMCQNWLRCIFLX-OALUTQOASA-N 2 2 325.456 3.281 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@H]1CCC[NH2+]1 ZINC000423156906 309388623 /nfs/dbraw/zinc/38/86/23/309388623.db2.gz UNCKMAWODSXVKR-CUOATXAZSA-N 2 2 327.241 3.306 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423238785 309391943 /nfs/dbraw/zinc/39/19/43/309391943.db2.gz JLASVFRKVDGVNZ-DNVCBOLYSA-N 2 2 327.472 3.434 20 0 EGADLP CC[NH2+]CC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000423246222 309392180 /nfs/dbraw/zinc/39/21/80/309392180.db2.gz NAZVBAUTIKGIPJ-HNNXBMFYSA-N 2 2 329.282 3.116 20 0 EGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272182 309393437 /nfs/dbraw/zinc/39/34/37/309393437.db2.gz YWXIAZWEYBDXFR-UZLBHIALSA-N 3 2 333.520 3.185 20 0 EGADLP [NH3+]C[C@@H]([NH2+][C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423277491 309393738 /nfs/dbraw/zinc/39/37/38/309393738.db2.gz OFYAYOARAREOEF-QWHCGFSZSA-N 2 2 327.291 3.313 20 0 EGADLP Brc1ccccc1[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423305331 309394624 /nfs/dbraw/zinc/39/46/24/309394624.db2.gz QRXLKXFGSQUMCY-KRWDZBQOSA-N 2 2 331.257 3.348 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423305991 309394700 /nfs/dbraw/zinc/39/47/00/309394700.db2.gz CZGMCTKXBDFKKP-WBVHZDCISA-N 2 2 338.467 3.424 20 0 EGADLP C[C@@]1(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000423326543 309395353 /nfs/dbraw/zinc/39/53/53/309395353.db2.gz CJVBWPXIZBWKFZ-RTBURBONSA-N 2 2 331.410 3.429 20 0 EGADLP Cc1cncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000423358152 309396760 /nfs/dbraw/zinc/39/67/60/309396760.db2.gz BBTNEGJDAAWEPU-IYJAJMOOSA-N 2 2 331.410 3.465 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H](C)C[NH3+])s2)cc1OC ZINC000423368047 309397449 /nfs/dbraw/zinc/39/74/49/309397449.db2.gz MWAVFIOQXRAXRR-RYUDHWBXSA-N 2 2 349.500 3.057 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383490 309397935 /nfs/dbraw/zinc/39/79/35/309397935.db2.gz JLEXIVFUUQZRTE-QFBILLFUSA-N 3 2 333.520 3.056 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423391043 309398310 /nfs/dbraw/zinc/39/83/10/309398310.db2.gz PBNSCBYBNPPMSW-OALUTQOASA-N 2 2 341.503 3.086 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cnn(Cc2ccccc2)c1 ZINC000423392356 309398441 /nfs/dbraw/zinc/39/84/41/309398441.db2.gz QFLWXZAHOUWLFD-VQIMIIECSA-N 2 2 326.488 3.360 20 0 EGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423419183 309399416 /nfs/dbraw/zinc/39/94/16/309399416.db2.gz IIALULNIWPBVBN-CXAGYDPISA-N 2 2 326.868 3.158 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CCC[NH2+]1 ZINC000423422339 309399716 /nfs/dbraw/zinc/39/97/16/309399716.db2.gz KLCLVOQGVAUEHC-IFXJQAMLSA-N 2 2 332.444 3.169 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496807 309403001 /nfs/dbraw/zinc/40/30/01/309403001.db2.gz XRWYDDCDXDQOGF-RDJZCZTQSA-N 2 2 340.895 3.404 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)s1 ZINC000423500686 309403221 /nfs/dbraw/zinc/40/32/21/309403221.db2.gz DAMVVPMGPBLZCZ-XOKHGSTOSA-N 2 2 345.512 3.047 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000423525643 309404885 /nfs/dbraw/zinc/40/48/85/309404885.db2.gz KQTYTPHFLJLMLS-ZYSHUDEJSA-N 2 2 338.451 3.254 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000423536210 309405500 /nfs/dbraw/zinc/40/55/00/309405500.db2.gz ZBCCWRFNUQZTGZ-TYCQWZJGSA-N 2 2 332.451 3.279 20 0 EGADLP [NH3+]C[C@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CCCC1 ZINC000423965046 309422583 /nfs/dbraw/zinc/42/25/83/309422583.db2.gz QRSPEMBMQZRYDK-SFHVURJKSA-N 2 2 325.412 3.121 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1I)C[NH+](C)C ZINC000425923820 309494770 /nfs/dbraw/zinc/49/47/70/309494770.db2.gz OOEOELMFMVEPGB-NEPJUHHUSA-N 2 2 346.256 3.140 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427880818 309537377 /nfs/dbraw/zinc/53/73/77/309537377.db2.gz WYJGCFOHYHUHMK-ZFWWWQNUSA-N 2 2 332.245 3.238 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@]1(C)CCCO1 ZINC000428251491 309545906 /nfs/dbraw/zinc/54/59/06/309545906.db2.gz ZYBCOYZDFLFKBJ-IRXDYDNUSA-N 2 2 326.550 3.285 20 0 EGADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000430603655 309612808 /nfs/dbraw/zinc/61/28/08/309612808.db2.gz ZBQSPFZNKHQRIL-LBPRGKRZSA-N 2 2 341.858 3.128 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000435392776 309731688 /nfs/dbraw/zinc/73/16/88/309731688.db2.gz XPSHZNTZQOSCEM-UHFFFAOYSA-N 2 2 340.467 3.458 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccncc2OCC(F)F)CC1 ZINC000442849283 309888916 /nfs/dbraw/zinc/88/89/16/309888916.db2.gz BTNSPBTZWICQGQ-UHFFFAOYSA-N 2 2 327.419 3.078 20 0 EGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000446938675 309971100 /nfs/dbraw/zinc/97/11/00/309971100.db2.gz JTRXDPONCZJRDV-OALUTQOASA-N 2 2 336.545 3.255 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1O ZINC000448352463 310002531 /nfs/dbraw/zinc/00/25/31/310002531.db2.gz DGNXMBCHBVITCT-BEFAXECRSA-N 2 2 334.504 3.432 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1O ZINC000448352463 310002532 /nfs/dbraw/zinc/00/25/32/310002532.db2.gz DGNXMBCHBVITCT-BEFAXECRSA-N 2 2 334.504 3.432 20 0 EGADLP COCC1CCC([NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000449080545 310035540 /nfs/dbraw/zinc/03/55/40/310035540.db2.gz XBCUYKZLIFELAG-UHFFFAOYSA-N 2 2 326.550 3.143 20 0 EGADLP CSCC1CCC(Nc2ccc(N3CC[NH+](C)CC3)c[nH+]2)CC1 ZINC000449085290 310035865 /nfs/dbraw/zinc/03/58/65/310035865.db2.gz LWZQBIHJBGXCGN-UHFFFAOYSA-N 2 2 334.533 3.167 20 0 EGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1F ZINC000449167236 310041732 /nfs/dbraw/zinc/04/17/32/310041732.db2.gz ISWPMLIFQDGBGT-VQTJNVASSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1F ZINC000449167236 310041733 /nfs/dbraw/zinc/04/17/33/310041733.db2.gz ISWPMLIFQDGBGT-VQTJNVASSA-N 2 2 342.458 3.107 20 0 EGADLP C[C@@H](C[S@](C)=O)[N@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238572 310046765 /nfs/dbraw/zinc/04/67/65/310046765.db2.gz GUKCYKCOYLHNSS-NYHFZMIOSA-N 2 2 330.582 3.364 20 0 EGADLP C[C@@H](C[S@](C)=O)[N@@H+](C)C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449238572 310046766 /nfs/dbraw/zinc/04/67/66/310046766.db2.gz GUKCYKCOYLHNSS-NYHFZMIOSA-N 2 2 330.582 3.364 20 0 EGADLP C[N@@H+](Cc1cc2cccnc2o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000449261056 310048222 /nfs/dbraw/zinc/04/82/22/310048222.db2.gz AIHOBBYNQOCBFZ-HKUYNNGSSA-N 2 2 336.439 3.348 20 0 EGADLP C[N@H+](Cc1cc2cccnc2o1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000449261056 310048223 /nfs/dbraw/zinc/04/82/23/310048223.db2.gz AIHOBBYNQOCBFZ-HKUYNNGSSA-N 2 2 336.439 3.348 20 0 EGADLP C[NH+](Cc1cc2cccnc2o1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000449261056 310048224 /nfs/dbraw/zinc/04/82/24/310048224.db2.gz AIHOBBYNQOCBFZ-HKUYNNGSSA-N 2 2 336.439 3.348 20 0 EGADLP C[NH+](Cc1cc2cccnc2o1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000449261056 310048225 /nfs/dbraw/zinc/04/82/25/310048225.db2.gz AIHOBBYNQOCBFZ-HKUYNNGSSA-N 2 2 336.439 3.348 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000449385269 310058074 /nfs/dbraw/zinc/05/80/74/310058074.db2.gz FBOQDSVDLWDKGO-QYZOEREBSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000449385269 310058075 /nfs/dbraw/zinc/05/80/75/310058075.db2.gz FBOQDSVDLWDKGO-QYZOEREBSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398904 310058788 /nfs/dbraw/zinc/05/87/88/310058788.db2.gz WWLCKGPGSPRAMS-GOEBONIOSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398904 310058789 /nfs/dbraw/zinc/05/87/89/310058789.db2.gz WWLCKGPGSPRAMS-GOEBONIOSA-N 2 2 344.421 3.073 20 0 EGADLP COc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000449520946 310068888 /nfs/dbraw/zinc/06/88/88/310068888.db2.gz GCGQQDUELYZESR-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP COc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000449520946 310068889 /nfs/dbraw/zinc/06/88/89/310068889.db2.gz GCGQQDUELYZESR-UHFFFAOYSA-N 2 2 335.407 3.276 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449581364 310073753 /nfs/dbraw/zinc/07/37/53/310073753.db2.gz ZJUAQTUPWQNNDO-OWYHZJEWSA-N 2 2 330.472 3.143 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449581364 310073754 /nfs/dbraw/zinc/07/37/54/310073754.db2.gz ZJUAQTUPWQNNDO-OWYHZJEWSA-N 2 2 330.472 3.143 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)nc21 ZINC000449776167 310086400 /nfs/dbraw/zinc/08/64/00/310086400.db2.gz NVDAQBYVMAMUOU-RYUDHWBXSA-N 2 2 349.276 3.042 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)nc21 ZINC000449776167 310086401 /nfs/dbraw/zinc/08/64/01/310086401.db2.gz NVDAQBYVMAMUOU-RYUDHWBXSA-N 2 2 349.276 3.042 20 0 EGADLP CC(C)Cn1cc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449785729 310087314 /nfs/dbraw/zinc/08/73/14/310087314.db2.gz IQXKOVMWQVNKSJ-UHFFFAOYSA-N 2 2 346.441 3.388 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449785729 310087315 /nfs/dbraw/zinc/08/73/15/310087315.db2.gz IQXKOVMWQVNKSJ-UHFFFAOYSA-N 2 2 346.441 3.388 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CC[N@@H+](CC)[C@H](c4ncc[nH]4)C3)c2c1 ZINC000450494627 310126196 /nfs/dbraw/zinc/12/61/96/310126196.db2.gz NKBPFRZXLVLGCQ-IBGZPJMESA-N 2 2 335.455 3.404 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CC[N@H+](CC)[C@H](c4ncc[nH]4)C3)c2c1 ZINC000450494627 310126197 /nfs/dbraw/zinc/12/61/97/310126197.db2.gz NKBPFRZXLVLGCQ-IBGZPJMESA-N 2 2 335.455 3.404 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CCN(CC)[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000450494627 310126198 /nfs/dbraw/zinc/12/61/98/310126198.db2.gz NKBPFRZXLVLGCQ-IBGZPJMESA-N 2 2 335.455 3.404 20 0 EGADLP CC[N@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000453094319 310257351 /nfs/dbraw/zinc/25/73/51/310257351.db2.gz OIRDBVYOCYAGII-KRWDZBQOSA-N 2 2 332.879 3.237 20 0 EGADLP CC[N@@H+](CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)C1CC1 ZINC000453094319 310257352 /nfs/dbraw/zinc/25/73/52/310257352.db2.gz OIRDBVYOCYAGII-KRWDZBQOSA-N 2 2 332.879 3.237 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250879 310266584 /nfs/dbraw/zinc/26/65/84/310266584.db2.gz HOVNAIWUQREJNQ-BBRMVZONSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(C(F)(F)F)c1 ZINC000453250879 310266585 /nfs/dbraw/zinc/26/65/85/310266585.db2.gz HOVNAIWUQREJNQ-BBRMVZONSA-N 2 2 330.394 3.203 20 0 EGADLP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000453398605 310275049 /nfs/dbraw/zinc/27/50/49/310275049.db2.gz KRCMZHYGSRGTDQ-UHFFFAOYSA-N 2 2 344.890 3.235 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453441628 310277394 /nfs/dbraw/zinc/27/73/94/310277394.db2.gz WXYJJKUTHNQJGF-LMMKCTJWSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453441628 310277395 /nfs/dbraw/zinc/27/73/95/310277395.db2.gz WXYJJKUTHNQJGF-LMMKCTJWSA-N 2 2 331.504 3.087 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000454627275 310320899 /nfs/dbraw/zinc/32/08/99/310320899.db2.gz WDICWIISXKMNOA-CVEARBPZSA-N 2 2 337.512 3.020 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c[nH+]1 ZINC000454631888 310321173 /nfs/dbraw/zinc/32/11/73/310321173.db2.gz OKBNLTMYGFAZPD-LIRRHRJNSA-N 2 2 332.492 3.008 20 0 EGADLP CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000462357020 310598821 /nfs/dbraw/zinc/59/88/21/310598821.db2.gz GVUAQDNRNLHRLC-AZUAARDMSA-N 2 2 346.515 3.456 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc(F)ccc1F ZINC000479080047 310868422 /nfs/dbraw/zinc/86/84/22/310868422.db2.gz NEIQQMIVQXZKMP-QFBILLFUSA-N 2 2 340.458 3.344 20 0 EGADLP CC1(C)C[N@@H+](C2(C[NH2+]C[C@@H]3CCSC3)CCCCC2)CCO1 ZINC000487282324 311018916 /nfs/dbraw/zinc/01/89/16/311018916.db2.gz UUNDEQWDTRDOHQ-INIZCTEOSA-N 2 2 326.550 3.143 20 0 EGADLP CC1(C)C[N@H+](C2(C[NH2+]C[C@@H]3CCSC3)CCCCC2)CCO1 ZINC000487282324 311018917 /nfs/dbraw/zinc/01/89/17/311018917.db2.gz UUNDEQWDTRDOHQ-INIZCTEOSA-N 2 2 326.550 3.143 20 0 EGADLP O[C@@]1(C[NH2+]Cc2sccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000487317344 311020233 /nfs/dbraw/zinc/02/02/33/311020233.db2.gz JPBTYDCYOXWRKC-QGZVFWFLSA-N 2 2 336.888 3.128 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)Cc1ccccc1 ZINC000488092024 311050829 /nfs/dbraw/zinc/05/08/29/311050829.db2.gz WFACABOJFMEVQL-BURNTYAHSA-N 2 2 342.527 3.487 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784973 311120506 /nfs/dbraw/zinc/12/05/06/311120506.db2.gz YUEGHBUVNIRHQX-IEBWSBKVSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784973 311120508 /nfs/dbraw/zinc/12/05/08/311120508.db2.gz YUEGHBUVNIRHQX-IEBWSBKVSA-N 2 2 346.519 3.075 20 0 EGADLP Cc1ccc(CCC[N@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492148856 311221384 /nfs/dbraw/zinc/22/13/84/311221384.db2.gz CFWNLJMFDNPSQL-RHSMWYFYSA-N 2 2 333.476 3.168 20 0 EGADLP Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492148856 311221385 /nfs/dbraw/zinc/22/13/85/311221385.db2.gz CFWNLJMFDNPSQL-RHSMWYFYSA-N 2 2 333.476 3.168 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000492400754 311246178 /nfs/dbraw/zinc/24/61/78/311246178.db2.gz SXERCNFNCKOEHH-RDJZCZTQSA-N 2 2 344.528 3.314 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000492400754 311246179 /nfs/dbraw/zinc/24/61/79/311246179.db2.gz SXERCNFNCKOEHH-RDJZCZTQSA-N 2 2 344.528 3.314 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000492703055 311282053 /nfs/dbraw/zinc/28/20/53/311282053.db2.gz HUEVWRZJSVTOTB-KTKRTIGZSA-N 2 2 332.492 3.077 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC000493120628 311330377 /nfs/dbraw/zinc/33/03/77/311330377.db2.gz QNIJIQQFXDZGRG-ZNFPLGDCSA-N 2 2 338.455 3.203 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000493141400 311333225 /nfs/dbraw/zinc/33/32/25/311333225.db2.gz QQHMECMXSXQDNR-ONEGZZNKSA-N 2 2 338.333 3.032 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCc3ccccc3OC2)[nH+]1 ZINC000493910205 311444341 /nfs/dbraw/zinc/44/43/41/311444341.db2.gz ZPRPBNDIFRUGHE-HXUWFJFHSA-N 2 2 347.462 3.457 20 0 EGADLP Brc1ccc(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000494788803 311512175 /nfs/dbraw/zinc/51/21/75/311512175.db2.gz VJJNBFNTYZIJIR-OGVSOVDVSA-N 2 2 346.272 3.496 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000502245825 311961447 /nfs/dbraw/zinc/96/14/47/311961447.db2.gz BQYMJEKXSPAJJV-IRXDYDNUSA-N 2 2 334.504 3.407 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506483210 312050183 /nfs/dbraw/zinc/05/01/83/312050183.db2.gz UYWPYESJDVUYDL-FHWLQOOXSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506483210 312050184 /nfs/dbraw/zinc/05/01/84/312050184.db2.gz UYWPYESJDVUYDL-FHWLQOOXSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506483210 312050185 /nfs/dbraw/zinc/05/01/85/312050185.db2.gz UYWPYESJDVUYDL-FHWLQOOXSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506483210 312050187 /nfs/dbraw/zinc/05/01/87/312050187.db2.gz UYWPYESJDVUYDL-FHWLQOOXSA-N 2 2 337.552 3.268 20 0 EGADLP FC(F)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509355771 312115024 /nfs/dbraw/zinc/11/50/24/312115024.db2.gz DLNRLWHAEACXPZ-UHFFFAOYSA-N 2 2 337.458 3.176 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000515301111 312275190 /nfs/dbraw/zinc/27/51/90/312275190.db2.gz RRZYLPYETXKBSJ-IAGOWNOFSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000515301111 312275193 /nfs/dbraw/zinc/27/51/93/312275193.db2.gz RRZYLPYETXKBSJ-IAGOWNOFSA-N 2 2 337.467 3.351 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000516474849 312325142 /nfs/dbraw/zinc/32/51/42/312325142.db2.gz BYBPBSJTQDTULY-UHFFFAOYSA-N 2 2 336.907 3.099 20 0 EGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527678341 312908883 /nfs/dbraw/zinc/90/88/83/312908883.db2.gz ZVFDKEKUTURULA-CVEARBPZSA-N 2 2 344.833 3.086 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCOCC1 ZINC000527869563 312962194 /nfs/dbraw/zinc/96/21/94/312962194.db2.gz RFCOMLSWGRWSIY-PXAZEXFGSA-N 2 2 326.843 3.024 20 0 EGADLP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426044 313091148 /nfs/dbraw/zinc/09/11/48/313091148.db2.gz STYZSSXLJGADOK-FFZOFVMBSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426044 313091150 /nfs/dbraw/zinc/09/11/50/313091150.db2.gz STYZSSXLJGADOK-FFZOFVMBSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426044 313091152 /nfs/dbraw/zinc/09/11/52/313091152.db2.gz STYZSSXLJGADOK-FFZOFVMBSA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426044 313091155 /nfs/dbraw/zinc/09/11/55/313091155.db2.gz STYZSSXLJGADOK-FFZOFVMBSA-N 2 2 332.463 3.462 20 0 EGADLP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000529525622 313343086 /nfs/dbraw/zinc/34/30/86/313343086.db2.gz YNKYWHCAQWCLBR-SNVBAGLBSA-N 2 2 339.212 3.086 20 0 EGADLP Fc1cc(Br)cnc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000529525622 313343091 /nfs/dbraw/zinc/34/30/91/313343091.db2.gz YNKYWHCAQWCLBR-SNVBAGLBSA-N 2 2 339.212 3.086 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000529663919 313380525 /nfs/dbraw/zinc/38/05/25/313380525.db2.gz NCYQKNWLCULHHQ-NSCUHMNNSA-N 2 2 336.426 3.165 20 0 EGADLP CC[N@H+](CCOc1ccc(Br)cc1)CCn1cc[nH+]c1 ZINC000131470728 454257232 /nfs/dbraw/zinc/25/72/32/454257232.db2.gz RIYPJMFTAKNCFH-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP CC[N@@H+](CCOc1ccc(Br)cc1)CCn1cc[nH+]c1 ZINC000131470728 454257236 /nfs/dbraw/zinc/25/72/36/454257236.db2.gz RIYPJMFTAKNCFH-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP c1cc(-c2noc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)n2)cs1 ZINC000534127782 313954292 /nfs/dbraw/zinc/95/42/92/313954292.db2.gz DVYLQPCZDSSKJZ-UHFFFAOYSA-N 2 2 341.440 3.270 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000535313787 314039801 /nfs/dbraw/zinc/03/98/01/314039801.db2.gz KRJCUIOXMURFTK-CQSZACIVSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000535313787 314039803 /nfs/dbraw/zinc/03/98/03/314039803.db2.gz KRJCUIOXMURFTK-CQSZACIVSA-N 2 2 326.375 3.204 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536463431 314115162 /nfs/dbraw/zinc/11/51/62/314115162.db2.gz MBGMESUVYHREOR-CVEARBPZSA-N 2 2 340.471 3.360 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536463431 314115164 /nfs/dbraw/zinc/11/51/64/314115164.db2.gz MBGMESUVYHREOR-CVEARBPZSA-N 2 2 340.471 3.360 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536835426 314148226 /nfs/dbraw/zinc/14/82/26/314148226.db2.gz YYZLZZUHYDJZND-WTNAPCKOSA-N 2 2 338.495 3.393 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536835426 314148229 /nfs/dbraw/zinc/14/82/29/314148229.db2.gz YYZLZZUHYDJZND-WTNAPCKOSA-N 2 2 338.495 3.393 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000536994341 314156054 /nfs/dbraw/zinc/15/60/54/314156054.db2.gz RLRSTZUVHJBQNG-SZZJOZGLSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000536994341 314156056 /nfs/dbraw/zinc/15/60/56/314156056.db2.gz RLRSTZUVHJBQNG-SZZJOZGLSA-N 2 2 338.854 3.381 20 0 EGADLP CCc1cc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)on1 ZINC000539395218 314311346 /nfs/dbraw/zinc/31/13/46/314311346.db2.gz QXXHILUAFWHGJV-SFHVURJKSA-N 2 2 341.455 3.315 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000539861272 314346796 /nfs/dbraw/zinc/34/67/96/314346796.db2.gz IDMDSBARALJZGE-INIZCTEOSA-N 2 2 346.438 3.052 20 0 EGADLP CSc1ccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)cc1 ZINC000549286233 315085783 /nfs/dbraw/zinc/08/57/83/315085783.db2.gz RPVKWPSIDRJHCQ-KRWDZBQOSA-N 2 2 326.469 3.422 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699887 315164213 /nfs/dbraw/zinc/16/42/13/315164213.db2.gz NTDXDXKFYNUPSN-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699887 315164216 /nfs/dbraw/zinc/16/42/16/315164216.db2.gz NTDXDXKFYNUPSN-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699887 315164219 /nfs/dbraw/zinc/16/42/19/315164219.db2.gz NTDXDXKFYNUPSN-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)S1 ZINC000551699887 315164221 /nfs/dbraw/zinc/16/42/21/315164221.db2.gz NTDXDXKFYNUPSN-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)S1 ZINC000552090041 315196601 /nfs/dbraw/zinc/19/66/01/315196601.db2.gz HTDZHSUZZDEGOR-ROUUACIJSA-N 2 2 333.545 3.025 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536737 315223987 /nfs/dbraw/zinc/22/39/87/315223987.db2.gz RSBJKNWFALTLGY-WBMJQRKESA-N 2 2 328.378 3.157 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536737 315223989 /nfs/dbraw/zinc/22/39/89/315223989.db2.gz RSBJKNWFALTLGY-WBMJQRKESA-N 2 2 328.378 3.157 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920608 315237706 /nfs/dbraw/zinc/23/77/06/315237706.db2.gz CGCGBVOHPYMRHO-IBGZPJMESA-N 3 2 347.522 3.154 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920608 315237709 /nfs/dbraw/zinc/23/77/09/315237709.db2.gz CGCGBVOHPYMRHO-IBGZPJMESA-N 3 2 347.522 3.154 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cc(F)ccc3F)c2cc1C ZINC000553457629 315264719 /nfs/dbraw/zinc/26/47/19/315264719.db2.gz QQQFZZKELFWFML-INIZCTEOSA-N 2 2 345.393 3.082 20 0 EGADLP CC[C@H]1CC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000554385368 315314827 /nfs/dbraw/zinc/31/48/27/315314827.db2.gz ZWHAQNMHPKGZLL-GOEBONIOSA-N 2 2 328.460 3.038 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000554724684 315345703 /nfs/dbraw/zinc/34/57/03/315345703.db2.gz NUHOGBCPAGGKKN-BHDDXSALSA-N 2 2 341.543 3.363 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000554854522 315353048 /nfs/dbraw/zinc/35/30/48/315353048.db2.gz QLBUIAQZOWOSPB-UHFFFAOYSA-N 2 2 343.515 3.437 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000555537359 315388957 /nfs/dbraw/zinc/38/89/57/315388957.db2.gz NOQJDZBURMTWPU-SFHVURJKSA-N 2 2 327.472 3.475 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000555537359 315388960 /nfs/dbraw/zinc/38/89/60/315388960.db2.gz NOQJDZBURMTWPU-SFHVURJKSA-N 2 2 327.472 3.475 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000559741518 315643876 /nfs/dbraw/zinc/64/38/76/315643876.db2.gz UJRKZWQQZMPQGN-FQEVSTJZSA-N 2 2 340.442 3.383 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869037 454726689 /nfs/dbraw/zinc/72/66/89/454726689.db2.gz GQQPJSBGTVHCAZ-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869037 454726692 /nfs/dbraw/zinc/72/66/92/454726692.db2.gz GQQPJSBGTVHCAZ-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000563528331 316033414 /nfs/dbraw/zinc/03/34/14/316033414.db2.gz XVCVEQQOYQETCA-VQTJNVASSA-N 3 2 332.451 3.208 20 0 EGADLP Cc1nc([C@@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670214 316053268 /nfs/dbraw/zinc/05/32/68/316053268.db2.gz MYSYZZVWPBWRIH-CZUORRHYSA-N 2 2 349.862 3.414 20 0 EGADLP Cc1nc([C@@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670214 316053270 /nfs/dbraw/zinc/05/32/70/316053270.db2.gz MYSYZZVWPBWRIH-CZUORRHYSA-N 2 2 349.862 3.414 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cnc2ccsc2c1 ZINC000564822125 316212329 /nfs/dbraw/zinc/21/23/29/316212329.db2.gz FMSBWEBTVZUKHX-CYBMUJFWSA-N 2 2 339.468 3.274 20 0 EGADLP CCc1cc(N2CCN(c3cc[nH+]c4ccccc43)CC2)nc(C)[nH+]1 ZINC000565068368 316259832 /nfs/dbraw/zinc/25/98/32/316259832.db2.gz CAWTTZPFTYYVPN-UHFFFAOYSA-N 2 2 333.439 3.222 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]1 ZINC000565645263 316351213 /nfs/dbraw/zinc/35/12/13/316351213.db2.gz SSGSPLRHBVCFMZ-RISCZKNCSA-N 2 2 349.276 3.069 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)n2)c1 ZINC000566088960 316414384 /nfs/dbraw/zinc/41/43/84/316414384.db2.gz VRPFUTYJDDYARQ-JYJNAYRXSA-N 2 2 342.491 3.137 20 0 EGADLP CC[C@H](O)C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000566109106 316418220 /nfs/dbraw/zinc/41/82/20/316418220.db2.gz LSSOIQCZZURNHH-JKSUJKDBSA-N 2 2 332.410 3.449 20 0 EGADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569926873 316983610 /nfs/dbraw/zinc/98/36/10/316983610.db2.gz GVRFCZYGAGZTIS-ZIAGYGMSSA-N 2 2 341.459 3.134 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)c3conc3C(C)(C)[NH3+])cc2[nH+]1 ZINC000570864167 317118812 /nfs/dbraw/zinc/11/88/12/317118812.db2.gz QPMMISBTCBCKHH-UHFFFAOYSA-N 2 2 341.415 3.340 20 0 EGADLP CC(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C(C)C)c1 ZINC000572009669 317279333 /nfs/dbraw/zinc/27/93/33/317279333.db2.gz UZSCBMPNLQVQMJ-INIZCTEOSA-N 2 2 332.492 3.040 20 0 EGADLP CC(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C(C)C)c1 ZINC000572009669 317279335 /nfs/dbraw/zinc/27/93/35/317279335.db2.gz UZSCBMPNLQVQMJ-INIZCTEOSA-N 2 2 332.492 3.040 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)C12CCC2 ZINC000181978621 323517080 /nfs/dbraw/zinc/51/70/80/323517080.db2.gz FQZXTFLQVLGSRC-QZTJIDSGSA-N 2 2 327.472 3.443 20 0 EGADLP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@H+](C)Cc1ccccc1 ZINC000396409444 324293892 /nfs/dbraw/zinc/29/38/92/324293892.db2.gz FLPBXIFSZKFDTL-OOHWJJMZSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000396409444 324293894 /nfs/dbraw/zinc/29/38/94/324293894.db2.gz FLPBXIFSZKFDTL-OOHWJJMZSA-N 2 2 344.421 3.333 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000578903684 325035490 /nfs/dbraw/zinc/03/54/90/325035490.db2.gz RWAYEEMZWRAJFH-MFKMUULPSA-N 2 2 329.307 3.483 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000578903684 325035494 /nfs/dbraw/zinc/03/54/94/325035494.db2.gz RWAYEEMZWRAJFH-MFKMUULPSA-N 2 2 329.307 3.483 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccco1 ZINC000579001197 325048643 /nfs/dbraw/zinc/04/86/43/325048643.db2.gz IIPHJOVSHNOMIE-MRXNPFEDSA-N 2 2 340.427 3.049 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000580004868 325188589 /nfs/dbraw/zinc/18/85/89/325188589.db2.gz JXCUUMLTRFFXSZ-UHFFFAOYSA-N 2 2 331.410 3.423 20 0 EGADLP C[C@H](CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC000581492955 325366087 /nfs/dbraw/zinc/36/60/87/325366087.db2.gz YXCSNEPOUFHLON-HZPDHXFCSA-N 2 2 328.460 3.080 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583028973 325489597 /nfs/dbraw/zinc/48/95/97/325489597.db2.gz XVENBDHQGTUZBF-MRXNPFEDSA-N 2 2 348.516 3.266 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000430539788 458457408 /nfs/dbraw/zinc/45/74/08/458457408.db2.gz FVBABBITWAICIP-YOEHRIQHSA-N 2 2 339.549 3.257 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000430539788 458457413 /nfs/dbraw/zinc/45/74/13/458457413.db2.gz FVBABBITWAICIP-YOEHRIQHSA-N 2 2 339.549 3.257 20 0 EGADLP OCCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000183177290 455245012 /nfs/dbraw/zinc/24/50/12/455245012.db2.gz QFWUGPZDWNAJQX-UHFFFAOYSA-N 2 2 342.270 3.465 20 0 EGADLP OCCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1 ZINC000183177290 455245016 /nfs/dbraw/zinc/24/50/16/455245016.db2.gz QFWUGPZDWNAJQX-UHFFFAOYSA-N 2 2 342.270 3.465 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+]1CCCCC1 ZINC000180816977 455250097 /nfs/dbraw/zinc/25/00/97/455250097.db2.gz FRDWPVMYWYEJFE-MRXNPFEDSA-N 2 2 330.428 3.008 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183252282 455261158 /nfs/dbraw/zinc/26/11/58/455261158.db2.gz RRJFQWNFPBWRFY-PKOBYXMFSA-N 2 2 334.479 3.191 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183252282 455261163 /nfs/dbraw/zinc/26/11/63/455261163.db2.gz RRJFQWNFPBWRFY-PKOBYXMFSA-N 2 2 334.479 3.191 20 0 EGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623453619 460557789 /nfs/dbraw/zinc/55/77/89/460557789.db2.gz XHIGOWKZOWNHPF-UONOGXRCSA-N 2 2 348.434 3.234 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449528 455304024 /nfs/dbraw/zinc/30/40/24/455304024.db2.gz NUVNGWOATPAJEN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449528 455304028 /nfs/dbraw/zinc/30/40/28/455304028.db2.gz NUVNGWOATPAJEN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449528 455304030 /nfs/dbraw/zinc/30/40/30/455304030.db2.gz NUVNGWOATPAJEN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245449528 455304032 /nfs/dbraw/zinc/30/40/32/455304032.db2.gz NUVNGWOATPAJEN-IKGGRYGDSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000158704310 455324169 /nfs/dbraw/zinc/32/41/69/455324169.db2.gz NSDJEPIREODMLD-KRWDZBQOSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000158704310 455324174 /nfs/dbraw/zinc/32/41/74/455324174.db2.gz NSDJEPIREODMLD-KRWDZBQOSA-N 2 2 326.488 3.088 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158954876 455340941 /nfs/dbraw/zinc/34/09/41/455340941.db2.gz OICXFCFZTCNCGJ-IEBWSBKVSA-N 2 2 344.499 3.115 20 0 EGADLP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000245685866 455355244 /nfs/dbraw/zinc/35/52/44/455355244.db2.gz ANEHFWHCZSNUCV-KBPBESRZSA-N 2 2 325.294 3.436 20 0 EGADLP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000245685866 455355245 /nfs/dbraw/zinc/35/52/45/455355245.db2.gz ANEHFWHCZSNUCV-KBPBESRZSA-N 2 2 325.294 3.436 20 0 EGADLP C[NH+](C)Cc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000052665895 453841711 /nfs/dbraw/zinc/84/17/11/453841711.db2.gz VEQMRFRIUBQBDU-UHFFFAOYSA-N 2 2 334.423 3.245 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572576 453889427 /nfs/dbraw/zinc/88/94/27/453889427.db2.gz BWEUVVDSXJMGCH-RBUKOAKNSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572576 453889431 /nfs/dbraw/zinc/88/94/31/453889431.db2.gz BWEUVVDSXJMGCH-RBUKOAKNSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572576 453889434 /nfs/dbraw/zinc/88/94/34/453889434.db2.gz BWEUVVDSXJMGCH-RBUKOAKNSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000081572576 453889437 /nfs/dbraw/zinc/88/94/37/453889437.db2.gz BWEUVVDSXJMGCH-RBUKOAKNSA-N 2 2 345.531 3.006 20 0 EGADLP CC[N@@H+](Cc1nccn1C(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108403 453964706 /nfs/dbraw/zinc/96/47/06/453964706.db2.gz WHVDQYLRIGJWEZ-UHFFFAOYSA-N 2 2 349.429 3.412 20 0 EGADLP CC[N@H+](Cc1nccn1C(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108403 453964710 /nfs/dbraw/zinc/96/47/10/453964710.db2.gz WHVDQYLRIGJWEZ-UHFFFAOYSA-N 2 2 349.429 3.412 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H](C)c3ccco3)c2cc1C ZINC000069065397 454076691 /nfs/dbraw/zinc/07/66/91/454076691.db2.gz XDRJLPDJBDHOLY-HOTGVXAUSA-N 2 2 327.428 3.300 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H](C)c3ccco3)c2cc1C ZINC000069065397 454076693 /nfs/dbraw/zinc/07/66/93/454076693.db2.gz XDRJLPDJBDHOLY-HOTGVXAUSA-N 2 2 327.428 3.300 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000088721765 454117538 /nfs/dbraw/zinc/11/75/38/454117538.db2.gz GYFZVVLFMKLEHQ-PXNSSMCTSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000088721765 454117542 /nfs/dbraw/zinc/11/75/42/454117542.db2.gz GYFZVVLFMKLEHQ-PXNSSMCTSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)n1cc[nH+]c1 ZINC000058392745 454196876 /nfs/dbraw/zinc/19/68/76/454196876.db2.gz GINRBFDWOXISSB-KRWDZBQOSA-N 2 2 340.471 3.137 20 0 EGADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926366 454236140 /nfs/dbraw/zinc/23/61/40/454236140.db2.gz WEBJHPSXRHREKM-ZDUSSCGKSA-N 2 2 349.276 3.066 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C)on2)CC1 ZINC000095984729 454250310 /nfs/dbraw/zinc/25/03/10/454250310.db2.gz XSUKYXWVOXNGRG-OAHLLOKOSA-N 2 2 346.450 3.115 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000090047028 454267254 /nfs/dbraw/zinc/26/72/54/454267254.db2.gz SJWMRXKNFLXAHM-KBPBESRZSA-N 2 2 328.403 3.049 20 0 EGADLP CC[NH+]1CCN([C@H](C)CNc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000090071158 454272182 /nfs/dbraw/zinc/27/21/82/454272182.db2.gz IYCFPKJMAFGUHN-MRXNPFEDSA-N 2 2 333.524 3.161 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCc3n[nH]cc3C2)CC1 ZINC000090455759 454308495 /nfs/dbraw/zinc/30/84/95/454308495.db2.gz DSESZEMPUSQMLK-QGZVFWFLSA-N 2 2 344.890 3.175 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090461811 454309030 /nfs/dbraw/zinc/30/90/30/454309030.db2.gz VHHRYDPPBWKQJG-OJAHFUOMSA-N 2 2 345.531 3.475 20 0 EGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090461811 454309037 /nfs/dbraw/zinc/30/90/37/454309037.db2.gz VHHRYDPPBWKQJG-OJAHFUOMSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000090667144 454333760 /nfs/dbraw/zinc/33/37/60/454333760.db2.gz VNFIUUBUUHCFMJ-LSDHHAIUSA-N 2 2 328.435 3.492 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(F)cn1 ZINC000090667722 454333947 /nfs/dbraw/zinc/33/39/47/454333947.db2.gz MAJPUGARLDYJRQ-CABCVRRESA-N 2 2 328.435 3.492 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ncccc3F)CC2)cc1 ZINC000090720105 454337805 /nfs/dbraw/zinc/33/78/05/454337805.db2.gz YIXSSSSHZYARQI-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721045 454338228 /nfs/dbraw/zinc/33/82/28/454338228.db2.gz NLSAKUZCNQEZIH-BXUZGUMPSA-N 2 2 327.266 3.030 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721045 454338223 /nfs/dbraw/zinc/33/82/23/454338223.db2.gz NLSAKUZCNQEZIH-BXUZGUMPSA-N 2 2 327.266 3.030 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075570 454377894 /nfs/dbraw/zinc/37/78/94/454377894.db2.gz YYDAGASGVJFFMW-UHFFFAOYSA-N 3 2 328.504 3.472 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075570 454377899 /nfs/dbraw/zinc/37/78/99/454377899.db2.gz YYDAGASGVJFFMW-UHFFFAOYSA-N 3 2 328.504 3.472 20 0 EGADLP C[NH+](C)[C@H](C[NH2+]C1CCN(c2ccccc2)CC1)Cc1ccccc1 ZINC000132931159 454378295 /nfs/dbraw/zinc/37/82/95/454378295.db2.gz YWLZCSWXJOQHHO-QFIPXVFZSA-N 2 2 337.511 3.418 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121043054 454382946 /nfs/dbraw/zinc/38/29/46/454382946.db2.gz VTBXWVSSMFPORV-IPELMVKDSA-N 2 2 325.456 3.282 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1nc2ccccc2n1C ZINC000091282750 454421992 /nfs/dbraw/zinc/42/19/92/454421992.db2.gz NJHIJVDIVAVTDH-AWEZNQCLSA-N 2 2 332.411 3.005 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143761 454461658 /nfs/dbraw/zinc/46/16/58/454461658.db2.gz KMKKFCWENPXVTK-FOIQADDNSA-N 2 2 344.886 3.410 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143761 454461660 /nfs/dbraw/zinc/46/16/60/454461660.db2.gz KMKKFCWENPXVTK-FOIQADDNSA-N 2 2 344.886 3.410 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1O ZINC000048324782 454474539 /nfs/dbraw/zinc/47/45/39/454474539.db2.gz RJWXRFFCAIAOKY-GOSISDBHSA-N 2 2 326.440 3.328 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000121838907 454483912 /nfs/dbraw/zinc/48/39/12/454483912.db2.gz YFGQRJMZOLQWEE-WCIQWLHISA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000121838907 454483917 /nfs/dbraw/zinc/48/39/17/454483917.db2.gz YFGQRJMZOLQWEE-WCIQWLHISA-N 2 2 326.484 3.198 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000092043053 454507857 /nfs/dbraw/zinc/50/78/57/454507857.db2.gz WDTADFGINATFGG-IEBWSBKVSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000092043053 454507860 /nfs/dbraw/zinc/50/78/60/454507860.db2.gz WDTADFGINATFGG-IEBWSBKVSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)nn1CC(C)C ZINC000092043053 454507865 /nfs/dbraw/zinc/50/78/65/454507865.db2.gz WDTADFGINATFGG-IEBWSBKVSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)nn1CC(C)C ZINC000092043053 454507871 /nfs/dbraw/zinc/50/78/71/454507871.db2.gz WDTADFGINATFGG-IEBWSBKVSA-N 2 2 348.535 3.162 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000065464465 454571939 /nfs/dbraw/zinc/57/19/39/454571939.db2.gz PGNLMBJDBHTULG-UHFFFAOYSA-N 2 2 346.906 3.445 20 0 EGADLP Cc1cccc(O[C@@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000122828100 454572632 /nfs/dbraw/zinc/57/26/32/454572632.db2.gz AXNMJJCLEIQVLU-SFHVURJKSA-N 2 2 339.483 3.412 20 0 EGADLP CC(C)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801632 454599200 /nfs/dbraw/zinc/59/92/00/454599200.db2.gz XMLRLNUKLHLSPM-UHFFFAOYSA-N 2 2 343.515 3.098 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000104875764 454608843 /nfs/dbraw/zinc/60/88/43/454608843.db2.gz GWWGACKYALXZAS-IBGZPJMESA-N 2 2 340.471 3.130 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cn1 ZINC000092737879 454621587 /nfs/dbraw/zinc/62/15/87/454621587.db2.gz COTIBUADMBZTTK-KRWDZBQOSA-N 2 2 342.462 3.084 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002072 454646578 /nfs/dbraw/zinc/64/65/78/454646578.db2.gz HHWHPZLLFLYGPT-ROUUACIJSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052003665 454646794 /nfs/dbraw/zinc/64/67/94/454646794.db2.gz JHPGPKJYGLZAGF-KZNAEPCWSA-N 2 2 335.536 3.115 20 0 EGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123565893 454653067 /nfs/dbraw/zinc/65/30/67/454653067.db2.gz PVKQQLHGUPUCJX-GOSISDBHSA-N 2 2 327.472 3.452 20 0 EGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123565893 454653075 /nfs/dbraw/zinc/65/30/75/454653075.db2.gz PVKQQLHGUPUCJX-GOSISDBHSA-N 2 2 327.472 3.452 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000105875531 454661251 /nfs/dbraw/zinc/66/12/51/454661251.db2.gz SYYFJCGDUSZHOP-MRXNPFEDSA-N 2 2 340.471 3.010 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)c1 ZINC000093079122 454678872 /nfs/dbraw/zinc/67/88/72/454678872.db2.gz URUOKUAKJQHKCV-YOEHRIQHSA-N 2 2 327.428 3.129 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000136170687 454725274 /nfs/dbraw/zinc/72/52/74/454725274.db2.gz XPZPGUBNGBAYJP-LJQANCHMSA-N 2 2 340.471 3.083 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000124375403 454726193 /nfs/dbraw/zinc/72/61/93/454726193.db2.gz UXMRXEFEILIDDY-UHFFFAOYSA-N 2 2 325.416 3.018 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000124375403 454726195 /nfs/dbraw/zinc/72/61/95/454726195.db2.gz UXMRXEFEILIDDY-UHFFFAOYSA-N 2 2 325.416 3.018 20 0 EGADLP CCc1ccc2c(C[N@H+](C)CCCn3cc[nH+]c3)cc(=O)oc2c1 ZINC000124455336 454735520 /nfs/dbraw/zinc/73/55/20/454735520.db2.gz IVJJLVWILCXFBJ-UHFFFAOYSA-N 2 2 325.412 3.074 20 0 EGADLP CCc1ccc2c(C[N@@H+](C)CCCn3cc[nH+]c3)cc(=O)oc2c1 ZINC000124455336 454735525 /nfs/dbraw/zinc/73/55/25/454735525.db2.gz IVJJLVWILCXFBJ-UHFFFAOYSA-N 2 2 325.412 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCCC1 ZINC000162042777 454747707 /nfs/dbraw/zinc/74/77/07/454747707.db2.gz LZNKDNHUKLSLPT-KRWDZBQOSA-N 2 2 332.488 3.066 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000606352799 460652799 /nfs/dbraw/zinc/65/27/99/460652799.db2.gz NWKKESMLZMDJFQ-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000606352799 460652808 /nfs/dbraw/zinc/65/28/08/460652808.db2.gz NWKKESMLZMDJFQ-SFHVURJKSA-N 2 2 338.455 3.309 20 0 EGADLP CC(C)CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124860792 454776853 /nfs/dbraw/zinc/77/68/53/454776853.db2.gz YMAXYKRSGRHPCX-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124860792 454776854 /nfs/dbraw/zinc/77/68/54/454776854.db2.gz YMAXYKRSGRHPCX-RBUKOAKNSA-N 2 2 337.552 3.218 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000125232529 454805521 /nfs/dbraw/zinc/80/55/21/454805521.db2.gz YJEDZGUFCWAIHQ-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000125232529 454805524 /nfs/dbraw/zinc/80/55/24/454805524.db2.gz YJEDZGUFCWAIHQ-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000125238608 454806520 /nfs/dbraw/zinc/80/65/20/454806520.db2.gz WQVYXAIANFXRKX-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000125238608 454806523 /nfs/dbraw/zinc/80/65/23/454806523.db2.gz WQVYXAIANFXRKX-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139865407 454812619 /nfs/dbraw/zinc/81/26/19/454812619.db2.gz OZHLVIWPZODFQP-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139865407 454812623 /nfs/dbraw/zinc/81/26/23/454812623.db2.gz OZHLVIWPZODFQP-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139865407 454812628 /nfs/dbraw/zinc/81/26/28/454812628.db2.gz OZHLVIWPZODFQP-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139865407 454812631 /nfs/dbraw/zinc/81/26/31/454812631.db2.gz OZHLVIWPZODFQP-CZUORRHYSA-N 2 2 332.879 3.143 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266931871 455477614 /nfs/dbraw/zinc/47/76/14/455477614.db2.gz OXBGLVKLKQYSQF-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266931871 455477621 /nfs/dbraw/zinc/47/76/21/455477621.db2.gz OXBGLVKLKQYSQF-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000109787028 454837655 /nfs/dbraw/zinc/83/76/55/454837655.db2.gz VHKWZQUSPGTHEZ-UHFFFAOYSA-N 2 2 344.455 3.113 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000109787028 454837661 /nfs/dbraw/zinc/83/76/61/454837661.db2.gz VHKWZQUSPGTHEZ-UHFFFAOYSA-N 2 2 344.455 3.113 20 0 EGADLP CCOc1ccccc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163499662 454851743 /nfs/dbraw/zinc/85/17/43/454851743.db2.gz LPNAMWYJKPXMEC-UHFFFAOYSA-N 2 2 346.394 3.221 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000177588695 454881005 /nfs/dbraw/zinc/88/10/05/454881005.db2.gz DHSYDENICPXTGB-DLBZAZTESA-N 2 2 339.439 3.477 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)cc1 ZINC000154304422 454883187 /nfs/dbraw/zinc/88/31/87/454883187.db2.gz ZJWNWXJRMOTRPZ-FXAWDEMLSA-N 2 2 328.456 3.442 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154511995 454902677 /nfs/dbraw/zinc/90/26/77/454902677.db2.gz JCFKLFHMYZGPAH-MAUKXSAKSA-N 2 2 332.492 3.305 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154511995 454902681 /nfs/dbraw/zinc/90/26/81/454902681.db2.gz JCFKLFHMYZGPAH-MAUKXSAKSA-N 2 2 332.492 3.305 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)O[C@H](C)C2 ZINC000126663460 454909774 /nfs/dbraw/zinc/90/97/74/454909774.db2.gz YEUNPHQEGSDRNY-ZTFGCOKTSA-N 2 2 330.472 3.125 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)O[C@H](C)C2 ZINC000126663460 454909777 /nfs/dbraw/zinc/90/97/77/454909777.db2.gz YEUNPHQEGSDRNY-ZTFGCOKTSA-N 2 2 330.472 3.125 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000166745407 454915660 /nfs/dbraw/zinc/91/56/60/454915660.db2.gz OQEAMKNVCUEZMP-MRXNPFEDSA-N 2 2 330.472 3.467 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000166745407 454915663 /nfs/dbraw/zinc/91/56/63/454915663.db2.gz OQEAMKNVCUEZMP-MRXNPFEDSA-N 2 2 330.472 3.467 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(CC)noc2CC)[C@@H](C)C1 ZINC000166953067 454917699 /nfs/dbraw/zinc/91/76/99/454917699.db2.gz OBQIVSOVMJJELK-MAUKXSAKSA-N 2 2 337.508 3.026 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(CC)noc2CC)[C@@H](C)C1 ZINC000166953067 454917701 /nfs/dbraw/zinc/91/77/01/454917701.db2.gz OBQIVSOVMJJELK-MAUKXSAKSA-N 2 2 337.508 3.026 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618787 454921877 /nfs/dbraw/zinc/92/18/77/454921877.db2.gz UXKXWJMBUBXHCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618787 454921883 /nfs/dbraw/zinc/92/18/83/454921883.db2.gz UXKXWJMBUBXHCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618787 454921887 /nfs/dbraw/zinc/92/18/87/454921887.db2.gz UXKXWJMBUBXHCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618787 454921889 /nfs/dbraw/zinc/92/18/89/454921889.db2.gz UXKXWJMBUBXHCF-RISCZKNCSA-N 2 2 329.307 3.427 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000151037464 454928794 /nfs/dbraw/zinc/92/87/94/454928794.db2.gz ZXEUPCPEZWXFOZ-QGZVFWFLSA-N 2 2 335.455 3.050 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000151037464 454928797 /nfs/dbraw/zinc/92/87/97/454928797.db2.gz ZXEUPCPEZWXFOZ-QGZVFWFLSA-N 2 2 335.455 3.050 20 0 EGADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178060025 454930940 /nfs/dbraw/zinc/93/09/40/454930940.db2.gz PMJXHXOCGVWWTI-UHFFFAOYSA-N 2 2 348.406 3.072 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@H](C)C2CCOCC2)[NH+]2CCCC2)c1 ZINC000154874283 454938575 /nfs/dbraw/zinc/93/85/75/454938575.db2.gz BBDGRZUXAUQVQW-OXQOHEQNSA-N 2 2 332.488 3.237 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480188 454957100 /nfs/dbraw/zinc/95/71/00/454957100.db2.gz JDGRVHPHZXVURK-YESZJQIVSA-N 2 2 331.504 3.411 20 0 EGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480188 454957102 /nfs/dbraw/zinc/95/71/02/454957102.db2.gz JDGRVHPHZXVURK-YESZJQIVSA-N 2 2 331.504 3.411 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)n1-c1ccccc1 ZINC000151333401 454970562 /nfs/dbraw/zinc/97/05/62/454970562.db2.gz KUGVVHHHNJLHQH-APWZRJJASA-N 2 2 343.496 3.325 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000155873784 455056288 /nfs/dbraw/zinc/05/62/88/455056288.db2.gz CRKWYCJQLACRDC-UHFFFAOYSA-N 2 2 336.430 3.054 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000128543156 455065689 /nfs/dbraw/zinc/06/56/89/455065689.db2.gz CMTQRTRPEJJADB-UONOGXRCSA-N 2 2 342.409 3.366 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(-n2cncn2)cc1 ZINC000152267886 455094555 /nfs/dbraw/zinc/09/45/55/455094555.db2.gz NZNQWQRMSDGRQC-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156342907 455107472 /nfs/dbraw/zinc/10/74/72/455107472.db2.gz QPHYUKNPWJAIGE-KXBFYZLASA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156342907 455107475 /nfs/dbraw/zinc/10/74/75/455107475.db2.gz QPHYUKNPWJAIGE-KXBFYZLASA-N 2 2 339.439 3.124 20 0 EGADLP Cc1ccc2c(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000156561233 455133117 /nfs/dbraw/zinc/13/31/17/455133117.db2.gz YGKZHAITIBYTMA-CRAIPNDOSA-N 2 2 337.423 3.381 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1 ZINC000156561233 455133119 /nfs/dbraw/zinc/13/31/19/455133119.db2.gz YGKZHAITIBYTMA-CRAIPNDOSA-N 2 2 337.423 3.381 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000156559559 455133167 /nfs/dbraw/zinc/13/31/67/455133167.db2.gz GMVRWVITUPEGGL-JSGCOSHPSA-N 2 2 328.403 3.432 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000156559559 455133169 /nfs/dbraw/zinc/13/31/69/455133169.db2.gz GMVRWVITUPEGGL-JSGCOSHPSA-N 2 2 328.403 3.432 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181113714 455290135 /nfs/dbraw/zinc/29/01/35/455290135.db2.gz SKYLFVWBHZZRKW-UHFFFAOYSA-N 2 2 345.535 3.434 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181113714 455290141 /nfs/dbraw/zinc/29/01/41/455290141.db2.gz SKYLFVWBHZZRKW-UHFFFAOYSA-N 2 2 345.535 3.434 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000237515177 455191241 /nfs/dbraw/zinc/19/12/41/455191241.db2.gz GZBIMRYSGYSOHQ-LJQANCHMSA-N 3 2 329.532 3.015 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccsc1 ZINC000264418132 455209410 /nfs/dbraw/zinc/20/94/10/455209410.db2.gz QKVVWBDYGXMMOA-HUUCEWRRSA-N 2 2 347.488 3.011 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1nccn1C ZINC000183020210 455210504 /nfs/dbraw/zinc/21/05/04/455210504.db2.gz JXDRXHAVDOKQQA-MRXNPFEDSA-N 2 2 338.455 3.496 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1nccn1C ZINC000183020210 455210508 /nfs/dbraw/zinc/21/05/08/455210508.db2.gz JXDRXHAVDOKQQA-MRXNPFEDSA-N 2 2 338.455 3.496 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245446695 455303669 /nfs/dbraw/zinc/30/36/69/455303669.db2.gz LJNMTDQGBMTOGS-CVEARBPZSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245446695 455303671 /nfs/dbraw/zinc/30/36/71/455303671.db2.gz LJNMTDQGBMTOGS-CVEARBPZSA-N 2 2 349.906 3.475 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245456819 455306310 /nfs/dbraw/zinc/30/63/10/455306310.db2.gz TZNZHTDFIYSURS-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245456819 455306313 /nfs/dbraw/zinc/30/63/13/455306313.db2.gz TZNZHTDFIYSURS-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245456819 455306316 /nfs/dbraw/zinc/30/63/16/455306316.db2.gz TZNZHTDFIYSURS-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245456819 455306321 /nfs/dbraw/zinc/30/63/21/455306321.db2.gz TZNZHTDFIYSURS-PKOBYXMFSA-N 2 2 345.531 3.134 20 0 EGADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158895573 455335452 /nfs/dbraw/zinc/33/54/52/455335452.db2.gz RUCJUQJLXXIQFS-IAGOWNOFSA-N 2 2 330.472 3.485 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158980046 455342444 /nfs/dbraw/zinc/34/24/44/455342444.db2.gz AXVLXCZMDFBFLX-ZBFHGGJFSA-N 2 2 340.895 3.092 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C)CCO)cc3)[nH+]c12 ZINC000265646980 455354826 /nfs/dbraw/zinc/35/48/26/455354826.db2.gz LKLPGGPNZAAPCC-INIZCTEOSA-N 2 2 339.439 3.082 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000181569714 455356970 /nfs/dbraw/zinc/35/69/70/455356970.db2.gz QWCGLJKIUMRTPB-NRFANRHFSA-N 2 2 333.435 3.316 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCO[C@@H](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000181569714 455356974 /nfs/dbraw/zinc/35/69/74/455356974.db2.gz QWCGLJKIUMRTPB-NRFANRHFSA-N 2 2 333.435 3.316 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245740460 455370833 /nfs/dbraw/zinc/37/08/33/455370833.db2.gz XDMFVFPMTCZCMA-FXAWDEMLSA-N 2 2 335.455 3.211 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000245740460 455370836 /nfs/dbraw/zinc/37/08/36/455370836.db2.gz XDMFVFPMTCZCMA-FXAWDEMLSA-N 2 2 335.455 3.211 20 0 EGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000190760889 455378825 /nfs/dbraw/zinc/37/88/25/455378825.db2.gz SLGCMXNGPRCXBQ-UHFFFAOYSA-N 2 2 329.492 3.163 20 0 EGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000190760889 455378828 /nfs/dbraw/zinc/37/88/28/455378828.db2.gz SLGCMXNGPRCXBQ-UHFFFAOYSA-N 2 2 329.492 3.163 20 0 EGADLP CC1(C)[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)[C@H]2CCCO[C@H]21 ZINC000245858518 455387172 /nfs/dbraw/zinc/38/71/72/455387172.db2.gz HLGOMTCRWUIYSW-MISYRCLQSA-N 2 2 339.483 3.267 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191077565 455438204 /nfs/dbraw/zinc/43/82/04/455438204.db2.gz HNSYXHLBUCIAJN-HNNXBMFYSA-N 2 2 342.405 3.168 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191077565 455438209 /nfs/dbraw/zinc/43/82/09/455438209.db2.gz HNSYXHLBUCIAJN-HNNXBMFYSA-N 2 2 342.405 3.168 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246196783 455446620 /nfs/dbraw/zinc/44/66/20/455446620.db2.gz LQDLNOQNUTYUAH-RDTXWAMCSA-N 2 2 339.418 3.495 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887297 455468730 /nfs/dbraw/zinc/46/87/30/455468730.db2.gz BVHXPMULHMASLD-KGLIPLIRSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000266887297 455468734 /nfs/dbraw/zinc/46/87/34/455468734.db2.gz BVHXPMULHMASLD-KGLIPLIRSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266934642 455478861 /nfs/dbraw/zinc/47/88/61/455478861.db2.gz PODNNHMNWLTZJL-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266934642 455478864 /nfs/dbraw/zinc/47/88/64/455478864.db2.gz PODNNHMNWLTZJL-HZPDHXFCSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191562963 455496869 /nfs/dbraw/zinc/49/68/69/455496869.db2.gz LZQWKTDNUYMSAX-FXAWDEMLSA-N 2 2 335.451 3.435 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000191601445 455503128 /nfs/dbraw/zinc/50/31/28/455503128.db2.gz PEVIASXXJVERIU-YLJYHZDGSA-N 2 2 335.451 3.435 20 0 EGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000185200318 455520483 /nfs/dbraw/zinc/52/04/83/455520483.db2.gz CGDUQZYHWKQQKB-RTBURBONSA-N 2 2 331.504 3.228 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246865635 455531092 /nfs/dbraw/zinc/53/10/92/455531092.db2.gz PVTHPGXSMOSNHV-FXAWDEMLSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246865635 455531098 /nfs/dbraw/zinc/53/10/98/455531098.db2.gz PVTHPGXSMOSNHV-FXAWDEMLSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246865635 455531104 /nfs/dbraw/zinc/53/11/04/455531104.db2.gz PVTHPGXSMOSNHV-FXAWDEMLSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246865635 455531108 /nfs/dbraw/zinc/53/11/08/455531108.db2.gz PVTHPGXSMOSNHV-FXAWDEMLSA-N 2 2 341.499 3.191 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246951749 455538112 /nfs/dbraw/zinc/53/81/12/455538112.db2.gz ATKKXXOSRLMEPG-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246951749 455538117 /nfs/dbraw/zinc/53/81/17/455538117.db2.gz ATKKXXOSRLMEPG-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1nccn1C ZINC000182602640 455550750 /nfs/dbraw/zinc/55/07/50/455550750.db2.gz OOFGENHINNOYGT-INIZCTEOSA-N 2 2 327.407 3.294 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H](C)C1 ZINC000247245462 455577675 /nfs/dbraw/zinc/57/76/75/455577675.db2.gz XXPKVAYFRNFNHD-ICSRJNTNSA-N 2 2 340.515 3.336 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H](C)C1 ZINC000247245462 455577678 /nfs/dbraw/zinc/57/76/78/455577678.db2.gz XXPKVAYFRNFNHD-ICSRJNTNSA-N 2 2 340.515 3.336 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356298 455591262 /nfs/dbraw/zinc/59/12/62/455591262.db2.gz PUSPQVOMNNVCGQ-QZTJIDSGSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356298 455591265 /nfs/dbraw/zinc/59/12/65/455591265.db2.gz PUSPQVOMNNVCGQ-QZTJIDSGSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356298 455591268 /nfs/dbraw/zinc/59/12/68/455591268.db2.gz PUSPQVOMNNVCGQ-QZTJIDSGSA-N 2 2 337.552 3.220 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000247356298 455591270 /nfs/dbraw/zinc/59/12/70/455591270.db2.gz PUSPQVOMNNVCGQ-QZTJIDSGSA-N 2 2 337.552 3.220 20 0 EGADLP COc1ccc([C@@H](C[NH+](C)C)NCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000283812642 455598061 /nfs/dbraw/zinc/59/80/61/455598061.db2.gz BRDYXTBMPOXEQE-LJQANCHMSA-N 2 2 338.455 3.044 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000247457413 455603494 /nfs/dbraw/zinc/60/34/94/455603494.db2.gz HZKZXTAKRQDYQP-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000247457413 455603498 /nfs/dbraw/zinc/60/34/98/455603498.db2.gz HZKZXTAKRQDYQP-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CC(C)(C)c1nnc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000268160957 455606855 /nfs/dbraw/zinc/60/68/55/455606855.db2.gz DIBIGSGEVMCZST-UHFFFAOYSA-N 2 2 327.457 3.311 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277621696 455617480 /nfs/dbraw/zinc/61/74/80/455617480.db2.gz XDGUCLIOYUNLIU-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277621696 455617482 /nfs/dbraw/zinc/61/74/82/455617482.db2.gz XDGUCLIOYUNLIU-CQSZACIVSA-N 2 2 341.293 3.374 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247561909 455624289 /nfs/dbraw/zinc/62/42/89/455624289.db2.gz KXFQIRLNHVJZEX-VKJFTORMSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247561909 455624294 /nfs/dbraw/zinc/62/42/94/455624294.db2.gz KXFQIRLNHVJZEX-VKJFTORMSA-N 2 2 344.434 3.241 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247684873 455637769 /nfs/dbraw/zinc/63/77/69/455637769.db2.gz UTWDBQHVPHGQFQ-AZUAARDMSA-N 2 2 345.531 3.260 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247684873 455637774 /nfs/dbraw/zinc/63/77/74/455637774.db2.gz UTWDBQHVPHGQFQ-AZUAARDMSA-N 2 2 345.531 3.260 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000247700548 455640053 /nfs/dbraw/zinc/64/00/53/455640053.db2.gz XSSJLBGWOHWWHI-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000247700548 455640062 /nfs/dbraw/zinc/64/00/62/455640062.db2.gz XSSJLBGWOHWWHI-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000192549150 455640119 /nfs/dbraw/zinc/64/01/19/455640119.db2.gz PLWQYPFFIZOCOX-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000192549150 455640122 /nfs/dbraw/zinc/64/01/22/455640122.db2.gz PLWQYPFFIZOCOX-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000247944390 455657650 /nfs/dbraw/zinc/65/76/50/455657650.db2.gz HBFKZBMVAOOVJI-MBOZVWFJSA-N 2 2 334.504 3.134 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000247944390 455657655 /nfs/dbraw/zinc/65/76/55/455657655.db2.gz HBFKZBMVAOOVJI-MBOZVWFJSA-N 2 2 334.504 3.134 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000284255296 455657962 /nfs/dbraw/zinc/65/79/62/455657962.db2.gz WNAYUTLZKCHGPR-CQSZACIVSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000284255296 455657963 /nfs/dbraw/zinc/65/79/63/455657963.db2.gz WNAYUTLZKCHGPR-CQSZACIVSA-N 2 2 325.416 3.325 20 0 EGADLP O[C@@H]([C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(F)(F)F ZINC000277812188 455673504 /nfs/dbraw/zinc/67/35/04/455673504.db2.gz QGLGYFIMBXVBBL-ZBFHGGJFSA-N 2 2 339.361 3.008 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197977 455697208 /nfs/dbraw/zinc/69/72/08/455697208.db2.gz XRYNOUUAAZGRJK-DOTOQJQBSA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197977 455697210 /nfs/dbraw/zinc/69/72/10/455697210.db2.gz XRYNOUUAAZGRJK-DOTOQJQBSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197977 455697214 /nfs/dbraw/zinc/69/72/14/455697214.db2.gz XRYNOUUAAZGRJK-DOTOQJQBSA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@H]21 ZINC000248197977 455697218 /nfs/dbraw/zinc/69/72/18/455697218.db2.gz XRYNOUUAAZGRJK-DOTOQJQBSA-N 2 2 329.419 3.397 20 0 EGADLP Cc1ccc(OC(F)F)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277893061 455699789 /nfs/dbraw/zinc/69/97/89/455699789.db2.gz OOQMWJZFSAGIGB-HNNXBMFYSA-N 2 2 342.430 3.187 20 0 EGADLP Cc1ccc(OC(F)F)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277893061 455699794 /nfs/dbraw/zinc/69/97/94/455699794.db2.gz OOQMWJZFSAGIGB-HNNXBMFYSA-N 2 2 342.430 3.187 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000268962931 455746227 /nfs/dbraw/zinc/74/62/27/455746227.db2.gz XRPIBEZYHZKPQO-VXKWHMMOSA-N 2 2 337.511 3.196 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000268962931 455746233 /nfs/dbraw/zinc/74/62/33/455746233.db2.gz XRPIBEZYHZKPQO-VXKWHMMOSA-N 2 2 337.511 3.196 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271819458 455773781 /nfs/dbraw/zinc/77/37/81/455773781.db2.gz MRSWGETZTUGYFG-MAUKXSAKSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271819458 455773786 /nfs/dbraw/zinc/77/37/86/455773786.db2.gz MRSWGETZTUGYFG-MAUKXSAKSA-N 2 2 342.439 3.066 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cccc(CO)c1 ZINC000271971368 455809096 /nfs/dbraw/zinc/80/90/96/455809096.db2.gz NGAPCBQNGLKZKO-SJORKVTESA-N 2 2 339.483 3.450 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000269202626 455811112 /nfs/dbraw/zinc/81/11/12/455811112.db2.gz HYRSPLRANUVZGI-KRWDZBQOSA-N 2 2 348.878 3.188 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000278334543 455821106 /nfs/dbraw/zinc/82/11/06/455821106.db2.gz WSGFJYOSYHPQAV-GFCCVEGCSA-N 2 2 327.384 3.226 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000278341179 455823276 /nfs/dbraw/zinc/82/32/76/455823276.db2.gz XMAVJBJCOZIPTO-OAHLLOKOSA-N 2 2 342.439 3.165 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000278341179 455823280 /nfs/dbraw/zinc/82/32/80/455823280.db2.gz XMAVJBJCOZIPTO-OAHLLOKOSA-N 2 2 342.439 3.165 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000272029670 455825351 /nfs/dbraw/zinc/82/53/51/455825351.db2.gz WGXBVBYJMMNBFR-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000272029670 455825357 /nfs/dbraw/zinc/82/53/57/455825357.db2.gz WGXBVBYJMMNBFR-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c2ccccc21 ZINC000278371542 455831647 /nfs/dbraw/zinc/83/16/47/455831647.db2.gz CGKKSHJYOAXYTR-VQTJNVASSA-N 2 2 343.515 3.013 20 0 EGADLP COc1cccc(OC)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000285403682 455837957 /nfs/dbraw/zinc/83/79/57/455837957.db2.gz INXGVHZGNYPOPJ-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP COc1ccnc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285489370 455857513 /nfs/dbraw/zinc/85/75/13/455857513.db2.gz INTAIJVDVZTFFV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccnc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000285489370 455857515 /nfs/dbraw/zinc/85/75/15/455857515.db2.gz INTAIJVDVZTFFV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccnc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489370 455857519 /nfs/dbraw/zinc/85/75/19/455857519.db2.gz INTAIJVDVZTFFV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccnc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489370 455857520 /nfs/dbraw/zinc/85/75/20/455857520.db2.gz INTAIJVDVZTFFV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489370 455857524 /nfs/dbraw/zinc/85/75/24/455857524.db2.gz INTAIJVDVZTFFV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285489370 455857527 /nfs/dbraw/zinc/85/75/27/455857527.db2.gz INTAIJVDVZTFFV-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccnc1Cl ZINC000272202116 455874593 /nfs/dbraw/zinc/87/45/93/455874593.db2.gz JEGUUPOFWNZSKC-HIFRSBDPSA-N 2 2 345.878 3.443 20 0 EGADLP COCCCOc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000285592565 455877277 /nfs/dbraw/zinc/87/72/77/455877277.db2.gz PCHYLRKNRHACFJ-UHFFFAOYSA-N 2 2 325.412 3.039 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)c1ccco1 ZINC000195011240 455912483 /nfs/dbraw/zinc/91/24/83/455912483.db2.gz ZPFLVGUCDBWFPU-WMZOPIPTSA-N 2 2 339.443 3.160 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)ccc(Br)c3F)C[C@H]21 ZINC000261644368 455919702 /nfs/dbraw/zinc/91/97/02/455919702.db2.gz MAILBGROAWLYHE-IMSIIYSGSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(Br)c3F)C[C@H]21 ZINC000261644368 455919708 /nfs/dbraw/zinc/91/97/08/455919708.db2.gz MAILBGROAWLYHE-IMSIIYSGSA-N 2 2 345.231 3.287 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000280223985 455920622 /nfs/dbraw/zinc/92/06/22/455920622.db2.gz LPPLFVNKUILJJT-HXUWFJFHSA-N 2 2 348.450 3.208 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000261685528 455927812 /nfs/dbraw/zinc/92/78/12/455927812.db2.gz KJHACIVJKJAKEF-CQSZACIVSA-N 2 2 349.219 3.221 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000261685528 455927817 /nfs/dbraw/zinc/92/78/17/455927817.db2.gz KJHACIVJKJAKEF-CQSZACIVSA-N 2 2 349.219 3.221 20 0 EGADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000261685629 455927912 /nfs/dbraw/zinc/92/79/12/455927912.db2.gz BSYYPGXGPJEOOC-OAHLLOKOSA-N 2 2 338.455 3.215 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000296408759 455931062 /nfs/dbraw/zinc/93/10/62/455931062.db2.gz QSXHFMCKCWUCEN-INIZCTEOSA-N 2 2 341.459 3.097 20 0 EGADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270336915 455931739 /nfs/dbraw/zinc/93/17/39/455931739.db2.gz MXCYSSVKSOOSHT-GOSISDBHSA-N 2 2 337.471 3.323 20 0 EGADLP Cc1cc(C)n(CC[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270336915 455931742 /nfs/dbraw/zinc/93/17/42/455931742.db2.gz MXCYSSVKSOOSHT-GOSISDBHSA-N 2 2 337.471 3.323 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337347 455931978 /nfs/dbraw/zinc/93/19/78/455931978.db2.gz PFYWYWRTEMRBOQ-SUMWQHHRSA-N 2 2 343.298 3.445 20 0 EGADLP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337347 455931983 /nfs/dbraw/zinc/93/19/83/455931983.db2.gz PFYWYWRTEMRBOQ-SUMWQHHRSA-N 2 2 343.298 3.445 20 0 EGADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337336 455932191 /nfs/dbraw/zinc/93/21/91/455932191.db2.gz PFYWYWRTEMRBOQ-CXAGYDPISA-N 2 2 343.298 3.445 20 0 EGADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337336 455932197 /nfs/dbraw/zinc/93/21/97/455932197.db2.gz PFYWYWRTEMRBOQ-CXAGYDPISA-N 2 2 343.298 3.445 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1 ZINC000272401955 455938032 /nfs/dbraw/zinc/93/80/32/455938032.db2.gz AQPNUEASPZMPRE-UHFFFAOYSA-N 2 2 334.423 3.143 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000270377713 455941959 /nfs/dbraw/zinc/94/19/59/455941959.db2.gz VJQCPCYEVYHOJK-KRWDZBQOSA-N 2 2 346.438 3.052 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cn2cccnc2n1 ZINC000270377713 455941962 /nfs/dbraw/zinc/94/19/62/455941962.db2.gz VJQCPCYEVYHOJK-KRWDZBQOSA-N 2 2 346.438 3.052 20 0 EGADLP CSc1ccc([C@H](CNC(N)=[NH2+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261872711 455962146 /nfs/dbraw/zinc/96/21/46/455962146.db2.gz PGSHLZUPGAHUMS-HNNXBMFYSA-N 2 2 346.525 3.052 20 0 EGADLP CSc1ccc([C@H](CNC(N)=[NH2+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261872711 455962148 /nfs/dbraw/zinc/96/21/48/455962148.db2.gz PGSHLZUPGAHUMS-HNNXBMFYSA-N 2 2 346.525 3.052 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H](O)c1cccc(F)c1 ZINC000272504691 455973863 /nfs/dbraw/zinc/97/38/63/455973863.db2.gz FDCGROBPYMOALE-LRDDRELGSA-N 2 2 348.384 3.254 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000296563987 455974596 /nfs/dbraw/zinc/97/45/96/455974596.db2.gz VKPZWCDPDLXFJU-INIZCTEOSA-N 2 2 341.503 3.128 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000296563987 455974600 /nfs/dbraw/zinc/97/46/00/455974600.db2.gz VKPZWCDPDLXFJU-INIZCTEOSA-N 2 2 341.503 3.128 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261958033 455977596 /nfs/dbraw/zinc/97/75/96/455977596.db2.gz RKHVAHUVSDQODZ-HNNXBMFYSA-N 2 2 338.455 3.091 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1coc(C[NH3+])c1)c1ccccc1Cl ZINC000188031673 455982548 /nfs/dbraw/zinc/98/25/48/455982548.db2.gz DHRMVXRSCAAAIK-QGZVFWFLSA-N 2 2 349.862 3.205 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261998112 455983725 /nfs/dbraw/zinc/98/37/25/455983725.db2.gz KZRFHPBGPKWJQS-OAHLLOKOSA-N 2 2 341.318 3.356 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261998112 455983730 /nfs/dbraw/zinc/98/37/30/455983730.db2.gz KZRFHPBGPKWJQS-OAHLLOKOSA-N 2 2 341.318 3.356 20 0 EGADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000262378131 456030312 /nfs/dbraw/zinc/03/03/12/456030312.db2.gz YKVRYKLARPDSQO-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)cc1 ZINC000272700968 456044540 /nfs/dbraw/zinc/04/45/40/456044540.db2.gz WCUUQRGZSLVSAE-FQEVSTJZSA-N 2 2 343.471 3.353 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CCCO2)cc1 ZINC000272700968 456044544 /nfs/dbraw/zinc/04/45/44/456044544.db2.gz WCUUQRGZSLVSAE-FQEVSTJZSA-N 2 2 343.471 3.353 20 0 EGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000271057268 456114903 /nfs/dbraw/zinc/11/49/03/456114903.db2.gz ZVIIOFHZEOUZCK-MRXNPFEDSA-N 2 2 335.835 3.081 20 0 EGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271057268 456114910 /nfs/dbraw/zinc/11/49/10/456114910.db2.gz ZVIIOFHZEOUZCK-MRXNPFEDSA-N 2 2 335.835 3.081 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[N@H+](CC)CC1 ZINC000301562510 456148234 /nfs/dbraw/zinc/14/82/34/456148234.db2.gz YFCUUGANRYPTBV-UHFFFAOYSA-N 2 2 341.455 3.252 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[N@@H+](CC)CC1 ZINC000301562510 456148239 /nfs/dbraw/zinc/14/82/39/456148239.db2.gz YFCUUGANRYPTBV-UHFFFAOYSA-N 2 2 341.455 3.252 20 0 EGADLP COc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1O ZINC000289894261 456171884 /nfs/dbraw/zinc/17/18/84/456171884.db2.gz XEOKBUBETXEEHS-AUUYWEPGSA-N 2 2 344.455 3.190 20 0 EGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000236748984 456179498 /nfs/dbraw/zinc/17/94/98/456179498.db2.gz BKBNUBBJZXONOK-QGZVFWFLSA-N 2 2 346.500 3.087 20 0 EGADLP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000236748984 456179502 /nfs/dbraw/zinc/17/95/02/456179502.db2.gz BKBNUBBJZXONOK-QGZVFWFLSA-N 2 2 346.500 3.087 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271296734 456211480 /nfs/dbraw/zinc/21/14/80/456211480.db2.gz NTKAJHXEBNEQDD-IAGOWNOFSA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271296734 456211483 /nfs/dbraw/zinc/21/14/83/456211483.db2.gz NTKAJHXEBNEQDD-IAGOWNOFSA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465029 456226554 /nfs/dbraw/zinc/22/65/54/456226554.db2.gz QMMYYOXJSWPMQV-SWLSCSKDSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465029 456226558 /nfs/dbraw/zinc/22/65/58/456226558.db2.gz QMMYYOXJSWPMQV-SWLSCSKDSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465029 456226560 /nfs/dbraw/zinc/22/65/60/456226560.db2.gz QMMYYOXJSWPMQV-SWLSCSKDSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(Cl)c1O ZINC000297465029 456226563 /nfs/dbraw/zinc/22/65/63/456226563.db2.gz QMMYYOXJSWPMQV-SWLSCSKDSA-N 2 2 326.868 3.216 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn3cc(C)[nH+]c3c2)o1 ZINC000620648792 460719719 /nfs/dbraw/zinc/71/97/19/460719719.db2.gz KTVMXFPAPVCQNC-UHFFFAOYSA-N 2 2 326.400 3.330 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCCCCNc1cccc[nH+]1 ZINC000301856219 456233437 /nfs/dbraw/zinc/23/34/37/456233437.db2.gz YZVMKKWSJCFHBU-UHFFFAOYSA-N 2 2 339.447 3.281 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301875736 456238972 /nfs/dbraw/zinc/23/89/72/456238972.db2.gz ILKVVQYJQABIIK-GASCZTMLSA-N 2 2 344.507 3.361 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301875736 456238975 /nfs/dbraw/zinc/23/89/75/456238975.db2.gz ILKVVQYJQABIIK-GASCZTMLSA-N 2 2 344.507 3.361 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189257903 456265903 /nfs/dbraw/zinc/26/59/03/456265903.db2.gz GOVYOUSUNXYONK-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189257903 456265911 /nfs/dbraw/zinc/26/59/11/456265911.db2.gz GOVYOUSUNXYONK-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP Cc1cccc(N2CCC(Nc3nc(C)[nH+]c4c3CCCC4)CC2)[nH+]1 ZINC000302037636 456273522 /nfs/dbraw/zinc/27/35/22/456273522.db2.gz GJPGDZXPKSDKRT-UHFFFAOYSA-N 2 2 337.471 3.448 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760528 456281623 /nfs/dbraw/zinc/28/16/23/456281623.db2.gz PWEWHKMWOQMMHC-WBVHZDCISA-N 2 2 344.528 3.130 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ncc(C[NH+](C)C)s2)C1 ZINC000352760528 456281628 /nfs/dbraw/zinc/28/16/28/456281628.db2.gz PWEWHKMWOQMMHC-WBVHZDCISA-N 2 2 344.528 3.130 20 0 EGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352760528 456281635 /nfs/dbraw/zinc/28/16/35/456281635.db2.gz PWEWHKMWOQMMHC-WBVHZDCISA-N 2 2 344.528 3.130 20 0 EGADLP CO[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352773091 456293683 /nfs/dbraw/zinc/29/36/83/456293683.db2.gz PXIVZHFEGXBPCN-OAHLLOKOSA-N 2 2 339.892 3.335 20 0 EGADLP Cc1nc(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c(C)c(C)[nH+]1 ZINC000302179538 456307639 /nfs/dbraw/zinc/30/76/39/456307639.db2.gz RNLLWTXPAMJUMJ-UHFFFAOYSA-N 2 2 340.471 3.274 20 0 EGADLP Cc1nc(Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c(C)c(C)[nH+]1 ZINC000302179538 456307642 /nfs/dbraw/zinc/30/76/42/456307642.db2.gz RNLLWTXPAMJUMJ-UHFFFAOYSA-N 2 2 340.471 3.274 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc(OC)c1 ZINC000336793970 456310760 /nfs/dbraw/zinc/31/07/60/456310760.db2.gz ZEEFIFVOBWDGKW-KKSFZXQISA-N 2 2 340.467 3.456 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc(OC)c1 ZINC000336793970 456310767 /nfs/dbraw/zinc/31/07/67/456310767.db2.gz ZEEFIFVOBWDGKW-KKSFZXQISA-N 2 2 340.467 3.456 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn3ccsc3n2)C[C@H]1c1ccccc1 ZINC000340201624 456311236 /nfs/dbraw/zinc/31/12/36/456311236.db2.gz UVVHPXXMSNBTOD-WBVHZDCISA-N 2 2 326.469 3.321 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn3ccsc3n2)C[C@H]1c1ccccc1 ZINC000340201624 456311244 /nfs/dbraw/zinc/31/12/44/456311244.db2.gz UVVHPXXMSNBTOD-WBVHZDCISA-N 2 2 326.469 3.321 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215893 456320191 /nfs/dbraw/zinc/32/01/91/456320191.db2.gz KYXGYJCWKRIKKF-RBUKOAKNSA-N 2 2 341.430 3.189 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215893 456320198 /nfs/dbraw/zinc/32/01/98/456320198.db2.gz KYXGYJCWKRIKKF-RBUKOAKNSA-N 2 2 341.430 3.189 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340231252 456326145 /nfs/dbraw/zinc/32/61/45/456326145.db2.gz NNWKXAVIJBYSLH-NSISKUIASA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340231252 456326157 /nfs/dbraw/zinc/32/61/57/456326157.db2.gz NNWKXAVIJBYSLH-NSISKUIASA-N 3 2 326.488 3.253 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000298040069 456350246 /nfs/dbraw/zinc/35/02/46/456350246.db2.gz HFDCCXHVJGHXSS-UHFFFAOYSA-N 2 2 329.473 3.300 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000298040069 456350251 /nfs/dbraw/zinc/35/02/51/456350251.db2.gz HFDCCXHVJGHXSS-UHFFFAOYSA-N 2 2 329.473 3.300 20 0 EGADLP COc1ncccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352840772 456356002 /nfs/dbraw/zinc/35/60/02/456356002.db2.gz XKOQJYBBWVNDKG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ncccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352840772 456356013 /nfs/dbraw/zinc/35/60/13/456356013.db2.gz XKOQJYBBWVNDKG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ncccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352840772 456356021 /nfs/dbraw/zinc/35/60/21/456356021.db2.gz XKOQJYBBWVNDKG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ncccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352840772 456356030 /nfs/dbraw/zinc/35/60/30/456356030.db2.gz XKOQJYBBWVNDKG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COCc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c2cc(F)ccc2[nH+]1 ZINC000290544218 456358906 /nfs/dbraw/zinc/35/89/06/456358906.db2.gz ISHZPTBAHBWYCY-CQSZACIVSA-N 2 2 331.435 3.298 20 0 EGADLP COCc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c2cc(F)ccc2[nH+]1 ZINC000290544218 456358912 /nfs/dbraw/zinc/35/89/12/456358912.db2.gz ISHZPTBAHBWYCY-CQSZACIVSA-N 2 2 331.435 3.298 20 0 EGADLP CC[NH+]1CCN(C[C@H](C)CNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000302624296 456367540 /nfs/dbraw/zinc/36/75/40/456367540.db2.gz FDAZNVHLLBAELX-OAHLLOKOSA-N 2 2 330.451 3.059 20 0 EGADLP FC(F)O[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000337544962 456369358 /nfs/dbraw/zinc/36/93/58/456369358.db2.gz KYIUOQAOFXFWJA-GJZGRUSLSA-N 2 2 325.403 3.190 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340310692 456378406 /nfs/dbraw/zinc/37/84/06/456378406.db2.gz RPJWADBXYPEXGH-UTKZUKDTSA-N 2 2 340.515 3.470 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340310692 456378412 /nfs/dbraw/zinc/37/84/12/456378412.db2.gz RPJWADBXYPEXGH-UTKZUKDTSA-N 2 2 340.515 3.470 20 0 EGADLP CC[NH+]1CCN([C@@H](C)CNc2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302772364 456394936 /nfs/dbraw/zinc/39/49/36/456394936.db2.gz NKHLDAWKHKXDES-INIZCTEOSA-N 2 2 347.551 3.335 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(F)cn1 ZINC000276174154 456405427 /nfs/dbraw/zinc/40/54/27/456405427.db2.gz FVXAQCSRKJEELB-HZPDHXFCSA-N 2 2 327.447 3.467 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000298415701 456451519 /nfs/dbraw/zinc/45/15/19/456451519.db2.gz MHPOSJVDPRVEFR-INIZCTEOSA-N 2 2 343.471 3.343 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000298415701 456451528 /nfs/dbraw/zinc/45/15/28/456451528.db2.gz MHPOSJVDPRVEFR-INIZCTEOSA-N 2 2 343.471 3.343 20 0 EGADLP FC1(F)CCC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000282309798 456474247 /nfs/dbraw/zinc/47/42/47/456474247.db2.gz MSMWCNKQPWXQOE-GFCCVEGCSA-N 2 2 344.369 3.448 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340504939 456498034 /nfs/dbraw/zinc/49/80/34/456498034.db2.gz JNISMWSWRCGYRN-RHSMWYFYSA-N 2 2 344.421 3.116 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340504939 456498040 /nfs/dbraw/zinc/49/80/40/456498040.db2.gz JNISMWSWRCGYRN-RHSMWYFYSA-N 2 2 344.421 3.116 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510799 456501463 /nfs/dbraw/zinc/50/14/63/456501463.db2.gz OPQOVCJHVKDIRX-VXKWHMMOSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510799 456501467 /nfs/dbraw/zinc/50/14/67/456501467.db2.gz OPQOVCJHVKDIRX-VXKWHMMOSA-N 2 2 338.495 3.455 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1cnnn1-c1ccccc1)C1CCCCC1 ZINC000651668192 462296602 /nfs/dbraw/zinc/29/66/02/462296602.db2.gz BKAZISORXHDAOR-UHFFFAOYSA-N 2 2 327.476 3.012 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1cnnn1-c1ccccc1)C1CCCCC1 ZINC000651668192 462296607 /nfs/dbraw/zinc/29/66/07/462296607.db2.gz BKAZISORXHDAOR-UHFFFAOYSA-N 2 2 327.476 3.012 20 0 EGADLP C[C@H]1[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@@H+]1C ZINC000337812325 456563174 /nfs/dbraw/zinc/56/31/74/456563174.db2.gz MDUZKBOJEMWKPP-YOEHRIQHSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H]1[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@H+]1C ZINC000337812325 456563178 /nfs/dbraw/zinc/56/31/78/456563178.db2.gz MDUZKBOJEMWKPP-YOEHRIQHSA-N 2 2 325.412 3.086 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306543905 456569052 /nfs/dbraw/zinc/56/90/52/456569052.db2.gz TYYOVDPUKBQTEG-NRFANRHFSA-N 2 2 326.484 3.390 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306543905 456569056 /nfs/dbraw/zinc/56/90/56/456569056.db2.gz TYYOVDPUKBQTEG-NRFANRHFSA-N 2 2 326.484 3.390 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000291262747 456583925 /nfs/dbraw/zinc/58/39/25/456583925.db2.gz XCMHOVBXYBUWME-OAQYLSRUSA-N 2 2 342.458 3.156 20 0 EGADLP CC(=O)NCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccc(C)s1 ZINC000348279431 456593590 /nfs/dbraw/zinc/59/35/90/456593590.db2.gz CLYMPWLQZQBPAE-UHFFFAOYSA-N 2 2 345.512 3.331 20 0 EGADLP CC(=O)NCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccc(C)s1 ZINC000348279431 456593596 /nfs/dbraw/zinc/59/35/96/456593596.db2.gz CLYMPWLQZQBPAE-UHFFFAOYSA-N 2 2 345.512 3.331 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)C3CCS(=O)(=O)CC3)cc2)c1C ZINC000291322392 456605562 /nfs/dbraw/zinc/60/55/62/456605562.db2.gz SYABNAITHKKDFN-CQSZACIVSA-N 2 2 347.484 3.114 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000353328698 456642350 /nfs/dbraw/zinc/64/23/50/456642350.db2.gz HLGLNTUDXJLNLO-UHFFFAOYSA-N 2 2 349.482 3.363 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000353328698 456642358 /nfs/dbraw/zinc/64/23/58/456642358.db2.gz HLGLNTUDXJLNLO-UHFFFAOYSA-N 2 2 349.482 3.363 20 0 EGADLP Cc1ccc(-c2ncc(C[N@@H+](C)C3CC[NH+](CCO)CC3)s2)cc1 ZINC000353362700 456646927 /nfs/dbraw/zinc/64/69/27/456646927.db2.gz GBEBBLRRPSONIE-UHFFFAOYSA-N 2 2 345.512 3.007 20 0 EGADLP Cc1ccc(-c2ncc(C[N@H+](C)C3CC[NH+](CCO)CC3)s2)cc1 ZINC000353362700 456646932 /nfs/dbraw/zinc/64/69/32/456646932.db2.gz GBEBBLRRPSONIE-UHFFFAOYSA-N 2 2 345.512 3.007 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282888817 456657189 /nfs/dbraw/zinc/65/71/89/456657189.db2.gz DIOSQSBHVWCYJY-INIZCTEOSA-N 2 2 346.906 3.464 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282888817 456657196 /nfs/dbraw/zinc/65/71/96/456657196.db2.gz DIOSQSBHVWCYJY-INIZCTEOSA-N 2 2 346.906 3.464 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000299366981 456671013 /nfs/dbraw/zinc/67/10/13/456671013.db2.gz PYNPASIODYOMFE-IIBYNOLFSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000299366981 456671023 /nfs/dbraw/zinc/67/10/23/456671023.db2.gz PYNPASIODYOMFE-IIBYNOLFSA-N 2 2 339.483 3.399 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000348414773 456674961 /nfs/dbraw/zinc/67/49/61/456674961.db2.gz QAVYPOAGEYHXKR-PMACEKPBSA-N 2 2 328.431 3.218 20 0 EGADLP Cc1[nH+]ccn1CCCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338164493 456677533 /nfs/dbraw/zinc/67/75/33/456677533.db2.gz KTXFSVXWHBHHJS-UHFFFAOYSA-N 2 2 336.395 3.199 20 0 EGADLP c1ccc(C[C@H]([NH2+]CCCNc2cccc[nH+]2)c2cccnc2)nc1 ZINC000338165675 456678863 /nfs/dbraw/zinc/67/88/63/456678863.db2.gz DXPOCJKOSGDLHZ-IBGZPJMESA-N 2 2 333.439 3.247 20 0 EGADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338175195 456685511 /nfs/dbraw/zinc/68/55/11/456685511.db2.gz HJBOYJZXHZLWJB-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338175195 456685518 /nfs/dbraw/zinc/68/55/18/456685518.db2.gz HJBOYJZXHZLWJB-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490436 456709982 /nfs/dbraw/zinc/70/99/82/456709982.db2.gz QQECYHOEHPRFEO-YJBOKZPZSA-N 2 2 332.467 3.359 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000353490436 456709986 /nfs/dbraw/zinc/70/99/86/456709986.db2.gz QQECYHOEHPRFEO-YJBOKZPZSA-N 2 2 332.467 3.359 20 0 EGADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCCC1 ZINC000338395111 456792303 /nfs/dbraw/zinc/79/23/03/456792303.db2.gz MNSSVADXUDDOKA-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCCCCC1 ZINC000338395111 456792312 /nfs/dbraw/zinc/79/23/12/456792312.db2.gz MNSSVADXUDDOKA-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)Cc1ccccc1 ZINC000301237262 456828886 /nfs/dbraw/zinc/82/88/86/456828886.db2.gz KVEZQXZSJQNTII-SFHVURJKSA-N 2 2 339.487 3.052 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c2ccccc21 ZINC000338774025 456857318 /nfs/dbraw/zinc/85/73/18/456857318.db2.gz CPMGSIMLGFAOJL-VLQPXKRTSA-N 2 2 330.472 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c2ccccc21 ZINC000338774025 456857325 /nfs/dbraw/zinc/85/73/25/456857325.db2.gz CPMGSIMLGFAOJL-VLQPXKRTSA-N 2 2 330.472 3.241 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292114057 456859703 /nfs/dbraw/zinc/85/97/03/456859703.db2.gz KJBSOFOJLLSCEJ-KRWDZBQOSA-N 2 2 339.483 3.171 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292114057 456859706 /nfs/dbraw/zinc/85/97/06/456859706.db2.gz KJBSOFOJLLSCEJ-KRWDZBQOSA-N 2 2 339.483 3.171 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341425021 456863762 /nfs/dbraw/zinc/86/37/62/456863762.db2.gz MYSGQDMDVSVCQS-SIKLNZKXSA-N 2 2 349.478 3.307 20 0 EGADLP CCc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341425021 456863765 /nfs/dbraw/zinc/86/37/65/456863765.db2.gz MYSGQDMDVSVCQS-SIKLNZKXSA-N 2 2 349.478 3.307 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829946 456874423 /nfs/dbraw/zinc/87/44/23/456874423.db2.gz XFUZEXRLDKHHPU-SJLPKXTDSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829946 456874427 /nfs/dbraw/zinc/87/44/27/456874427.db2.gz XFUZEXRLDKHHPU-SJLPKXTDSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329505487 456901216 /nfs/dbraw/zinc/90/12/16/456901216.db2.gz HGZFRTYGBZYXKC-NSHDSACASA-N 2 2 329.429 3.462 20 0 EGADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCCC1 ZINC000339022368 456903808 /nfs/dbraw/zinc/90/38/08/456903808.db2.gz OCICZMXSXFLCAL-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCCC1 ZINC000339022368 456903810 /nfs/dbraw/zinc/90/38/10/456903810.db2.gz OCICZMXSXFLCAL-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)sc2c1 ZINC000349187601 456906128 /nfs/dbraw/zinc/90/61/28/456906128.db2.gz KNSLKFSMLIMJII-LBPRGKRZSA-N 2 2 328.441 3.028 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)sc2c1 ZINC000349187601 456906132 /nfs/dbraw/zinc/90/61/32/456906132.db2.gz KNSLKFSMLIMJII-LBPRGKRZSA-N 2 2 328.441 3.028 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C(C)(C)C)C1 ZINC000353815912 456919605 /nfs/dbraw/zinc/91/96/05/456919605.db2.gz DYGYJLWKOAMREE-HYJFEMIMSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C(C)(C)C)C1 ZINC000353815912 456919611 /nfs/dbraw/zinc/91/96/11/456919611.db2.gz DYGYJLWKOAMREE-HYJFEMIMSA-N 2 2 343.515 3.105 20 0 EGADLP Cc1cc(Cl)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349316785 456939878 /nfs/dbraw/zinc/93/98/78/456939878.db2.gz ORZPLYCIJVXKEA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349316785 456939882 /nfs/dbraw/zinc/93/98/82/456939882.db2.gz ORZPLYCIJVXKEA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349316785 456939883 /nfs/dbraw/zinc/93/98/83/456939883.db2.gz ORZPLYCIJVXKEA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349316785 456939887 /nfs/dbraw/zinc/93/98/87/456939887.db2.gz ORZPLYCIJVXKEA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(OC)s1 ZINC000349373531 456956549 /nfs/dbraw/zinc/95/65/49/456956549.db2.gz XDDQNWKUGAAOTQ-UHFFFAOYSA-N 2 2 335.311 3.293 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(OC)s1 ZINC000349373531 456956554 /nfs/dbraw/zinc/95/65/54/456956554.db2.gz XDDQNWKUGAAOTQ-UHFFFAOYSA-N 2 2 335.311 3.293 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000349388425 456961139 /nfs/dbraw/zinc/96/11/39/456961139.db2.gz ZACYAQZOKDDVTL-INIZCTEOSA-N 2 2 332.488 3.326 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000349388425 456961141 /nfs/dbraw/zinc/96/11/41/456961141.db2.gz ZACYAQZOKDDVTL-INIZCTEOSA-N 2 2 332.488 3.326 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947344 456976240 /nfs/dbraw/zinc/97/62/40/456976240.db2.gz MGBCTGKURBKMFO-LKFCYVNXSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947344 456976241 /nfs/dbraw/zinc/97/62/41/456976241.db2.gz MGBCTGKURBKMFO-LKFCYVNXSA-N 2 2 333.220 3.157 20 0 EGADLP CC[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000353982902 456989014 /nfs/dbraw/zinc/98/90/14/456989014.db2.gz IWFFCURRJUUDOB-MSOLQXFVSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000353982902 456989017 /nfs/dbraw/zinc/98/90/17/456989017.db2.gz IWFFCURRJUUDOB-MSOLQXFVSA-N 2 2 340.471 3.026 20 0 EGADLP COCC1(C)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341902584 456993879 /nfs/dbraw/zinc/99/38/79/456993879.db2.gz FTQFQPJKNUGIPX-HXUWFJFHSA-N 2 2 346.515 3.026 20 0 EGADLP COCC1(C)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341902584 456993882 /nfs/dbraw/zinc/99/38/82/456993882.db2.gz FTQFQPJKNUGIPX-HXUWFJFHSA-N 2 2 346.515 3.026 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000339224831 457001494 /nfs/dbraw/zinc/00/14/94/457001494.db2.gz DKIXUHYBVQNALH-GJZGRUSLSA-N 2 2 340.471 3.126 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354026389 457019220 /nfs/dbraw/zinc/01/92/20/457019220.db2.gz SIMCATVRSKEXAQ-HOCLYGCPSA-N 2 2 331.441 3.043 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354026389 457019223 /nfs/dbraw/zinc/01/92/23/457019223.db2.gz SIMCATVRSKEXAQ-HOCLYGCPSA-N 2 2 331.441 3.043 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000339329000 457055562 /nfs/dbraw/zinc/05/55/62/457055562.db2.gz MENHEDKGGYTFKD-UXHICEINSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000339329000 457055568 /nfs/dbraw/zinc/05/55/68/457055568.db2.gz MENHEDKGGYTFKD-UXHICEINSA-N 2 2 344.886 3.373 20 0 EGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000354125351 457080465 /nfs/dbraw/zinc/08/04/65/457080465.db2.gz QXUTUAWFIHTONR-OTWHNJEPSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000354125351 457080470 /nfs/dbraw/zinc/08/04/70/457080470.db2.gz QXUTUAWFIHTONR-OTWHNJEPSA-N 2 2 337.552 3.124 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346692013 457114287 /nfs/dbraw/zinc/11/42/87/457114287.db2.gz XKNZFNPORVXHCD-UHFFFAOYSA-N 2 2 328.382 3.009 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346692013 457114293 /nfs/dbraw/zinc/11/42/93/457114293.db2.gz XKNZFNPORVXHCD-UHFFFAOYSA-N 2 2 328.382 3.009 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433390 457115764 /nfs/dbraw/zinc/11/57/64/457115764.db2.gz QLSJHPQIGKWHCU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433390 457115768 /nfs/dbraw/zinc/11/57/68/457115768.db2.gz QLSJHPQIGKWHCU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433390 457115774 /nfs/dbraw/zinc/11/57/74/457115774.db2.gz QLSJHPQIGKWHCU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)C1 ZINC000339433390 457115783 /nfs/dbraw/zinc/11/57/83/457115783.db2.gz QLSJHPQIGKWHCU-GOSISDBHSA-N 2 2 336.863 3.029 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@@H]1C ZINC000354204712 457129086 /nfs/dbraw/zinc/12/90/86/457129086.db2.gz GJNFAXQOUPPBBR-LNLFQRSKSA-N 2 2 343.515 3.159 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@@H]1C ZINC000354204712 457129091 /nfs/dbraw/zinc/12/90/91/457129091.db2.gz GJNFAXQOUPPBBR-LNLFQRSKSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@@H]1C ZINC000354204712 457129093 /nfs/dbraw/zinc/12/90/93/457129093.db2.gz GJNFAXQOUPPBBR-LNLFQRSKSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@@H]1C ZINC000354204712 457129097 /nfs/dbraw/zinc/12/90/97/457129097.db2.gz GJNFAXQOUPPBBR-LNLFQRSKSA-N 2 2 343.515 3.159 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000359857052 457134360 /nfs/dbraw/zinc/13/43/60/457134360.db2.gz WSZZSTOGMLTBDC-OAQYLSRUSA-N 2 2 332.451 3.374 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000359857052 457134365 /nfs/dbraw/zinc/13/43/65/457134365.db2.gz WSZZSTOGMLTBDC-OAQYLSRUSA-N 2 2 332.451 3.374 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224301 457140893 /nfs/dbraw/zinc/14/08/93/457140893.db2.gz NCXHPSIGBOGOLF-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224301 457140897 /nfs/dbraw/zinc/14/08/97/457140897.db2.gz NCXHPSIGBOGOLF-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224301 457140903 /nfs/dbraw/zinc/14/09/03/457140903.db2.gz NCXHPSIGBOGOLF-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1C ZINC000354224301 457140910 /nfs/dbraw/zinc/14/09/10/457140910.db2.gz NCXHPSIGBOGOLF-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000354256897 457157981 /nfs/dbraw/zinc/15/79/81/457157981.db2.gz XAWIKKWSXLQZFQ-OALUTQOASA-N 2 2 349.563 3.218 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000354256897 457157984 /nfs/dbraw/zinc/15/79/84/457157984.db2.gz XAWIKKWSXLQZFQ-OALUTQOASA-N 2 2 349.563 3.218 20 0 EGADLP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342213758 457172952 /nfs/dbraw/zinc/17/29/52/457172952.db2.gz WZDTXSOOUURJNM-AWEZNQCLSA-N 2 2 333.863 3.393 20 0 EGADLP C[NH+](Cc1cccs1)CC1(C[N@H+](C)Cc2cccs2)COC1 ZINC000359991541 457190127 /nfs/dbraw/zinc/19/01/27/457190127.db2.gz ITWQTJPHRRMUCY-UHFFFAOYSA-N 2 2 336.526 3.390 20 0 EGADLP C[NH+](Cc1cccs1)CC1(C[N@@H+](C)Cc2cccs2)COC1 ZINC000359991541 457190133 /nfs/dbraw/zinc/19/01/33/457190133.db2.gz ITWQTJPHRRMUCY-UHFFFAOYSA-N 2 2 336.526 3.390 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356877244 457193594 /nfs/dbraw/zinc/19/35/94/457193594.db2.gz VQFWMWCMLYMFCD-UHFFFAOYSA-N 2 2 348.450 3.288 20 0 EGADLP COCc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000356903529 457210603 /nfs/dbraw/zinc/21/06/03/457210603.db2.gz SDJYDDLLMROTOO-UHFFFAOYSA-N 2 2 330.394 3.339 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347100472 457229725 /nfs/dbraw/zinc/22/97/25/457229725.db2.gz JSEFYLUVRCMBTM-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347100472 457229731 /nfs/dbraw/zinc/22/97/31/457229731.db2.gz JSEFYLUVRCMBTM-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000331790539 457251322 /nfs/dbraw/zinc/25/13/22/457251322.db2.gz KCBOGQKNHZVNNL-LSDHHAIUSA-N 2 2 340.427 3.430 20 0 EGADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000331790539 457251331 /nfs/dbraw/zinc/25/13/31/457251331.db2.gz KCBOGQKNHZVNNL-LSDHHAIUSA-N 2 2 340.427 3.430 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1C ZINC000354486735 457252949 /nfs/dbraw/zinc/25/29/49/457252949.db2.gz BCIWIQLWCPJBPE-MDNKFWRPSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]1C ZINC000354486735 457252955 /nfs/dbraw/zinc/25/29/55/457252955.db2.gz BCIWIQLWCPJBPE-MDNKFWRPSA-N 2 2 344.499 3.218 20 0 EGADLP Clc1ccc(C[N@@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000357035385 457289654 /nfs/dbraw/zinc/28/96/54/457289654.db2.gz FDAHXAIVAKRFQO-UHFFFAOYSA-N 2 2 341.846 3.324 20 0 EGADLP Clc1ccc(C[N@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000357035385 457289663 /nfs/dbraw/zinc/28/96/63/457289663.db2.gz FDAHXAIVAKRFQO-UHFFFAOYSA-N 2 2 341.846 3.324 20 0 EGADLP COc1ccc2c(c1OC)CC[N@@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000354644321 457293464 /nfs/dbraw/zinc/29/34/64/457293464.db2.gz GSOWTBGKQNMGPU-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP COc1ccc2c(c1OC)CC[N@H+](CCCc1ccc(C)[nH+]c1)C2 ZINC000354644321 457293472 /nfs/dbraw/zinc/29/34/72/457293472.db2.gz GSOWTBGKQNMGPU-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000339826146 457295850 /nfs/dbraw/zinc/29/58/50/457295850.db2.gz AZVWVFGHOASSQI-SFHVURJKSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000339826146 457295858 /nfs/dbraw/zinc/29/58/58/457295858.db2.gz AZVWVFGHOASSQI-SFHVURJKSA-N 2 2 339.483 3.495 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCC3CCCCC3)C2)CC1 ZINC000363339385 457297359 /nfs/dbraw/zinc/29/73/59/457297359.db2.gz VYEBPYCYHVFFHM-SFHVURJKSA-N 2 2 335.536 3.022 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCC3CCCCC3)C2)CC1 ZINC000363339385 457297365 /nfs/dbraw/zinc/29/73/65/457297365.db2.gz VYEBPYCYHVFFHM-SFHVURJKSA-N 2 2 335.536 3.022 20 0 EGADLP c1cc2c(nc[nH+]c2N2CC[NH+](Cc3cccc4ccccc43)CC2)[nH]1 ZINC000357050049 457298355 /nfs/dbraw/zinc/29/83/55/457298355.db2.gz ZRTBBYFTGKXEOT-UHFFFAOYSA-N 2 2 343.434 3.433 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845817 457307507 /nfs/dbraw/zinc/30/75/07/457307507.db2.gz JISGDVQVCXPTLE-OLZOCXBDSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845817 457307509 /nfs/dbraw/zinc/30/75/09/457307509.db2.gz JISGDVQVCXPTLE-OLZOCXBDSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000339845817 457307511 /nfs/dbraw/zinc/30/75/11/457307511.db2.gz JISGDVQVCXPTLE-OLZOCXBDSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000339845817 457307512 /nfs/dbraw/zinc/30/75/12/457307512.db2.gz JISGDVQVCXPTLE-OLZOCXBDSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1Cl ZINC000339888264 457313306 /nfs/dbraw/zinc/31/33/06/457313306.db2.gz AJKOIXSWEKCDPG-KRWDZBQOSA-N 2 2 342.830 3.020 20 0 EGADLP CCC[C@H](C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000332189898 457324060 /nfs/dbraw/zinc/32/40/60/457324060.db2.gz GFIDUFXBSGKAFN-GOSISDBHSA-N 2 2 342.487 3.074 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000351979863 457327256 /nfs/dbraw/zinc/32/72/56/457327256.db2.gz YMWRSOZZRLIQNU-DGKKPVBHSA-N 2 2 346.515 3.183 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000351979863 457327263 /nfs/dbraw/zinc/32/72/63/457327263.db2.gz YMWRSOZZRLIQNU-DGKKPVBHSA-N 2 2 346.515 3.183 20 0 EGADLP CCOC1CC([NH2+]C[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000342531164 457352904 /nfs/dbraw/zinc/35/29/04/457352904.db2.gz BHZGYOIRSWZIEW-LYBXBRPPSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378307626 457389096 /nfs/dbraw/zinc/38/90/96/457389096.db2.gz BJXOMOQSAMINKT-FXAWDEMLSA-N 2 2 338.499 3.005 20 0 EGADLP CCc1ccc([C@H](CC)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360896751 457418125 /nfs/dbraw/zinc/41/81/25/457418125.db2.gz IHKYXGWLEPMDMM-VQTJNVASSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](CC)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360896751 457418130 /nfs/dbraw/zinc/41/81/30/457418130.db2.gz IHKYXGWLEPMDMM-VQTJNVASSA-N 2 2 345.531 3.232 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000352526802 457439781 /nfs/dbraw/zinc/43/97/81/457439781.db2.gz RXESWUSLJTURLS-GOSISDBHSA-N 2 2 336.863 3.077 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000352526802 457439787 /nfs/dbraw/zinc/43/97/87/457439787.db2.gz RXESWUSLJTURLS-GOSISDBHSA-N 2 2 336.863 3.077 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000352539401 457449238 /nfs/dbraw/zinc/44/92/38/457449238.db2.gz AGSGEVWCOCKEBB-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000352539401 457449247 /nfs/dbraw/zinc/44/92/47/457449247.db2.gz AGSGEVWCOCKEBB-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540067 457450315 /nfs/dbraw/zinc/45/03/15/457450315.db2.gz GTDVVOYAFABTJT-OAQYLSRUSA-N 3 2 329.532 3.220 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540067 457450330 /nfs/dbraw/zinc/45/03/30/457450330.db2.gz GTDVVOYAFABTJT-OAQYLSRUSA-N 3 2 329.532 3.220 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540067 457450336 /nfs/dbraw/zinc/45/03/36/457450336.db2.gz GTDVVOYAFABTJT-OAQYLSRUSA-N 3 2 329.532 3.220 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352540067 457450341 /nfs/dbraw/zinc/45/03/41/457450341.db2.gz GTDVVOYAFABTJT-OAQYLSRUSA-N 3 2 329.532 3.220 20 0 EGADLP COCc1cc(NCC[NH+](C(C)C)C(C)C)c2cc(F)ccc2[nH+]1 ZINC000357328631 457450447 /nfs/dbraw/zinc/45/04/47/457450447.db2.gz ZASINQMTBPXDFD-UHFFFAOYSA-N 2 2 333.451 3.473 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360943236 457452023 /nfs/dbraw/zinc/45/20/23/457452023.db2.gz SKQGDHMABGDZRV-IBGZPJMESA-N 3 2 338.499 3.253 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cn1 ZINC000352553318 457461202 /nfs/dbraw/zinc/46/12/02/457461202.db2.gz BKJYAPXFYKPIPH-SFHVURJKSA-N 2 2 328.435 3.321 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cn1 ZINC000352553317 457461635 /nfs/dbraw/zinc/46/16/35/457461635.db2.gz BKJYAPXFYKPIPH-GOSISDBHSA-N 2 2 328.435 3.321 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CCC2 ZINC000369934921 457466632 /nfs/dbraw/zinc/46/66/32/457466632.db2.gz SUWWJZKYMHZIRR-HRCADAONSA-N 2 2 348.491 3.104 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342703947 457467941 /nfs/dbraw/zinc/46/79/41/457467941.db2.gz KFHQHEBOSWNVAB-WMLDXEAASA-N 2 2 338.455 3.213 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000342725663 457482172 /nfs/dbraw/zinc/48/21/72/457482172.db2.gz IBXJMCPZLUXNNR-UHFFFAOYSA-N 2 2 335.455 3.309 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000360981691 457486103 /nfs/dbraw/zinc/48/61/03/457486103.db2.gz NIZPESRIGKPMHD-CQSZACIVSA-N 2 2 330.428 3.163 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)n1C ZINC000425340639 457507503 /nfs/dbraw/zinc/50/75/03/457507503.db2.gz FCYYDWXEZDVNRC-HNNXBMFYSA-N 2 2 330.451 3.395 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)n1C ZINC000425340639 457507506 /nfs/dbraw/zinc/50/75/06/457507506.db2.gz FCYYDWXEZDVNRC-HNNXBMFYSA-N 2 2 330.451 3.395 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000400369431 457513848 /nfs/dbraw/zinc/51/38/48/457513848.db2.gz SWUBMSVEDLTEQL-CABCVRRESA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000400369431 457513851 /nfs/dbraw/zinc/51/38/51/457513851.db2.gz SWUBMSVEDLTEQL-CABCVRRESA-N 2 2 339.524 3.094 20 0 EGADLP CCCCCC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364204998 457525438 /nfs/dbraw/zinc/52/54/38/457525438.db2.gz DJKXSDKNGFLGNL-ZWKOTPCHSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364204998 457525448 /nfs/dbraw/zinc/52/54/48/457525448.db2.gz DJKXSDKNGFLGNL-ZWKOTPCHSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000347595047 457537114 /nfs/dbraw/zinc/53/71/14/457537114.db2.gz LZULYHUTYMNZIK-UHFFFAOYSA-N 2 2 343.515 3.437 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1CC[NH3+] ZINC000404391876 457542233 /nfs/dbraw/zinc/54/22/33/457542233.db2.gz YLJHGMGKEMHHQL-NHYWBVRUSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)[C@H]1CC[NH3+] ZINC000404391876 457542240 /nfs/dbraw/zinc/54/22/40/457542240.db2.gz YLJHGMGKEMHHQL-NHYWBVRUSA-N 2 2 344.286 3.381 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000361063516 457558427 /nfs/dbraw/zinc/55/84/27/457558427.db2.gz RSIQKHKEKSJPLQ-UHFFFAOYSA-N 2 2 334.508 3.021 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)s1 ZINC000347635531 457565187 /nfs/dbraw/zinc/56/51/87/457565187.db2.gz HCLOPEOEVKQRPW-INIZCTEOSA-N 2 2 331.485 3.248 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)s1 ZINC000347635531 457565195 /nfs/dbraw/zinc/56/51/95/457565195.db2.gz HCLOPEOEVKQRPW-INIZCTEOSA-N 2 2 331.485 3.248 20 0 EGADLP Cc1cn[nH]c1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000356311925 457569578 /nfs/dbraw/zinc/56/95/78/457569578.db2.gz WSKQLCVPWQDVGV-UHFFFAOYSA-N 2 2 329.835 3.270 20 0 EGADLP Cc1cn[nH]c1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000356311925 457569583 /nfs/dbraw/zinc/56/95/83/457569583.db2.gz WSKQLCVPWQDVGV-UHFFFAOYSA-N 2 2 329.835 3.270 20 0 EGADLP CSC1(CNc2[nH+]ccc(C)c2Br)CC[NH+](C)CC1 ZINC000357549577 457591396 /nfs/dbraw/zinc/59/13/96/457591396.db2.gz QECDFECPLPTYHN-UHFFFAOYSA-N 2 2 344.322 3.392 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C(C)(C)C)C3)c2cc1C ZINC000409467370 457599532 /nfs/dbraw/zinc/59/95/32/457599532.db2.gz NTIGQNWPTCYFIA-IAGOWNOFSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C(C)(C)C)C3)c2cc1C ZINC000409467370 457599537 /nfs/dbraw/zinc/59/95/37/457599537.db2.gz NTIGQNWPTCYFIA-IAGOWNOFSA-N 2 2 329.488 3.382 20 0 EGADLP CCCCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330384 457620516 /nfs/dbraw/zinc/62/05/16/457620516.db2.gz SDEJWDKNQXPUFD-IEBWSBKVSA-N 2 2 337.552 3.124 20 0 EGADLP CCCCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000370330384 457620522 /nfs/dbraw/zinc/62/05/22/457620522.db2.gz SDEJWDKNQXPUFD-IEBWSBKVSA-N 2 2 337.552 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1c(F)cccc1Cl ZINC000374420952 457622163 /nfs/dbraw/zinc/62/21/63/457622163.db2.gz MUABGPRHOFXBJF-BVGQSLNGSA-N 2 2 340.870 3.205 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1c(F)cccc1Cl ZINC000374420952 457622169 /nfs/dbraw/zinc/62/21/69/457622169.db2.gz MUABGPRHOFXBJF-BVGQSLNGSA-N 2 2 340.870 3.205 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000374573681 457663678 /nfs/dbraw/zinc/66/36/78/457663678.db2.gz DELAIYRPKCHXHE-WMLDXEAASA-N 2 2 326.444 3.378 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC000361254437 457668598 /nfs/dbraw/zinc/66/85/98/457668598.db2.gz YKNSYCWOOTUCGU-ZIAGYGMSSA-N 2 2 339.443 3.256 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000361254437 457668600 /nfs/dbraw/zinc/66/86/00/457668600.db2.gz YKNSYCWOOTUCGU-ZIAGYGMSSA-N 2 2 339.443 3.256 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)F ZINC000370632487 457687261 /nfs/dbraw/zinc/68/72/61/457687261.db2.gz BDQSWZLLFPLMKD-LZWOXQAQSA-N 2 2 340.414 3.192 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000364758664 457687877 /nfs/dbraw/zinc/68/78/77/457687877.db2.gz KMAINOJVVXAJII-VMBOVVBDSA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)CC2)n1 ZINC000364758664 457687879 /nfs/dbraw/zinc/68/78/79/457687879.db2.gz KMAINOJVVXAJII-VMBOVVBDSA-N 2 2 332.492 3.265 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677450 457698805 /nfs/dbraw/zinc/69/88/05/457698805.db2.gz WNQVXQQRGILJKL-WDYCEAGBSA-N 2 2 339.487 3.162 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nnn1-c1ccc(C)cc1 ZINC000370677450 457698808 /nfs/dbraw/zinc/69/88/08/457698808.db2.gz WNQVXQQRGILJKL-WDYCEAGBSA-N 2 2 339.487 3.162 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000361356046 457704651 /nfs/dbraw/zinc/70/46/51/457704651.db2.gz OXRWDDWBTUVIFU-NXOAAHMSSA-N 2 2 349.544 3.215 20 0 EGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000358019283 457741084 /nfs/dbraw/zinc/74/10/84/457741084.db2.gz CUSDQLRJYYAUBM-GFCCVEGCSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000358019283 457741085 /nfs/dbraw/zinc/74/10/85/457741085.db2.gz CUSDQLRJYYAUBM-GFCCVEGCSA-N 2 2 331.287 3.443 20 0 EGADLP CC(C)Sc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000358041884 457750025 /nfs/dbraw/zinc/75/00/25/457750025.db2.gz XWDBQQNZUAWCBN-SFHVURJKSA-N 2 2 334.529 3.341 20 0 EGADLP CC(C)Sc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000358041884 457750032 /nfs/dbraw/zinc/75/00/32/457750032.db2.gz XWDBQQNZUAWCBN-SFHVURJKSA-N 2 2 334.529 3.341 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000375121760 457800664 /nfs/dbraw/zinc/80/06/64/457800664.db2.gz VJGIQETUGAMSHJ-UMSONDCASA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000375121760 457800670 /nfs/dbraw/zinc/80/06/70/457800670.db2.gz VJGIQETUGAMSHJ-UMSONDCASA-N 2 2 328.500 3.444 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000366460550 457815471 /nfs/dbraw/zinc/81/54/71/457815471.db2.gz XIUIJNKFOKAXAK-RDJZCZTQSA-N 2 2 341.455 3.363 20 0 EGADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443983213 457833380 /nfs/dbraw/zinc/83/33/80/457833380.db2.gz DAVRZDLEUOIQPA-UHFFFAOYSA-N 2 2 332.419 3.022 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000443983213 457833388 /nfs/dbraw/zinc/83/33/88/457833388.db2.gz DAVRZDLEUOIQPA-UHFFFAOYSA-N 2 2 332.419 3.022 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1Cl ZINC000444000519 457838235 /nfs/dbraw/zinc/83/82/35/457838235.db2.gz GVOXYIKSGJZLDQ-RTBURBONSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1Cl ZINC000444000519 457838241 /nfs/dbraw/zinc/83/82/41/457838241.db2.gz GVOXYIKSGJZLDQ-RTBURBONSA-N 2 2 344.886 3.373 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301182 457855148 /nfs/dbraw/zinc/85/51/48/457855148.db2.gz SPIZRRALZUHLPA-ZACQAIPSSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301182 457855157 /nfs/dbraw/zinc/85/51/57/457855157.db2.gz SPIZRRALZUHLPA-ZACQAIPSSA-N 2 2 342.405 3.389 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4C[C@@]45CC[NH2+]C5)cc3)[nH+]c12 ZINC000444172237 457862080 /nfs/dbraw/zinc/86/20/80/457862080.db2.gz XGZKZSWAFPYMCF-LAUBAEHRSA-N 2 2 346.434 3.248 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)nnn1-c1ccccc1 ZINC000358213252 457862466 /nfs/dbraw/zinc/86/24/66/457862466.db2.gz AYKJSLUQERSCEL-OAHLLOKOSA-N 2 2 346.438 3.117 20 0 EGADLP CC[NH+](CC)CCN(Cc1ccccc1)c1nc[nH+]c(N)c1Cl ZINC000433754255 457877939 /nfs/dbraw/zinc/87/79/39/457877939.db2.gz SNIZILYZPHIBKQ-UHFFFAOYSA-N 2 2 333.867 3.061 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000358301503 457920570 /nfs/dbraw/zinc/92/05/70/457920570.db2.gz PUROUGQNOGVVOZ-HOCLYGCPSA-N 2 2 337.533 3.247 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)cs2)[C@@H](C)C1 ZINC000358301503 457920577 /nfs/dbraw/zinc/92/05/77/457920577.db2.gz PUROUGQNOGVVOZ-HOCLYGCPSA-N 2 2 337.533 3.247 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884729 457928986 /nfs/dbraw/zinc/92/89/86/457928986.db2.gz FLXLTOOXCIZGJK-UZLBHIALSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000361884729 457928991 /nfs/dbraw/zinc/92/89/91/457928991.db2.gz FLXLTOOXCIZGJK-UZLBHIALSA-N 2 2 328.431 3.113 20 0 EGADLP CC(C)COc1cccc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000433999644 457929951 /nfs/dbraw/zinc/92/99/51/457929951.db2.gz QSDLMYLQRAJIPP-XLIONFOSSA-N 2 2 343.471 3.465 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)[S@@]1=O ZINC000411720103 457962401 /nfs/dbraw/zinc/96/24/01/457962401.db2.gz PBOMLEKXQKWPSD-PWAGRJGVSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)[S@@]1=O ZINC000411720103 457962404 /nfs/dbraw/zinc/96/24/04/457962404.db2.gz PBOMLEKXQKWPSD-PWAGRJGVSA-N 2 2 348.556 3.404 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000361965051 457981943 /nfs/dbraw/zinc/98/19/43/457981943.db2.gz AXSVCTLPDUZLSU-LESCRADOSA-N 2 2 327.476 3.099 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000361982945 457991163 /nfs/dbraw/zinc/99/11/63/457991163.db2.gz SCEDKDJHNFOQLP-UHOSZYNNSA-N 2 2 332.488 3.125 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC[C@@H]2CCCO2)c1 ZINC000361982945 457991169 /nfs/dbraw/zinc/99/11/69/457991169.db2.gz SCEDKDJHNFOQLP-UHOSZYNNSA-N 2 2 332.488 3.125 20 0 EGADLP FC(F)(F)COCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375740321 458044292 /nfs/dbraw/zinc/04/42/92/458044292.db2.gz AWHMSYGCGCXAIV-QGZVFWFLSA-N 2 2 342.405 3.163 20 0 EGADLP FC(F)(F)COCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375740321 458044298 /nfs/dbraw/zinc/04/42/98/458044298.db2.gz AWHMSYGCGCXAIV-QGZVFWFLSA-N 2 2 342.405 3.163 20 0 EGADLP FC(F)(F)COCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375740321 458044307 /nfs/dbraw/zinc/04/43/07/458044307.db2.gz AWHMSYGCGCXAIV-QGZVFWFLSA-N 2 2 342.405 3.163 20 0 EGADLP FC(F)(F)COCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375740321 458044315 /nfs/dbraw/zinc/04/43/15/458044315.db2.gz AWHMSYGCGCXAIV-QGZVFWFLSA-N 2 2 342.405 3.163 20 0 EGADLP CC(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000427863373 458045294 /nfs/dbraw/zinc/04/52/94/458045294.db2.gz YOLPHOUHYGTFSE-SUMWQHHRSA-N 2 2 326.400 3.032 20 0 EGADLP CC1(C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H]1OCc1ccccc1 ZINC000427879661 458046384 /nfs/dbraw/zinc/04/63/84/458046384.db2.gz DCXUHYVVDQBJKQ-KSZLIROESA-N 2 2 325.456 3.171 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OC(F)F ZINC000427877447 458046972 /nfs/dbraw/zinc/04/69/72/458046972.db2.gz OGVCQISTBIWYJY-YPMHNXCESA-N 2 2 337.370 3.159 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000435368450 458120594 /nfs/dbraw/zinc/12/05/94/458120594.db2.gz AMQVUASZWJXNMX-GJZGRUSLSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000435368450 458120602 /nfs/dbraw/zinc/12/06/02/458120602.db2.gz AMQVUASZWJXNMX-GJZGRUSLSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000435378494 458129082 /nfs/dbraw/zinc/12/90/82/458129082.db2.gz IXPXDKNYQKHCNU-HUUCEWRRSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000435378494 458129088 /nfs/dbraw/zinc/12/90/88/458129088.db2.gz IXPXDKNYQKHCNU-HUUCEWRRSA-N 2 2 331.485 3.200 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435387146 458132316 /nfs/dbraw/zinc/13/23/16/458132316.db2.gz XKMBMIQHHAXKHZ-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000435387146 458132325 /nfs/dbraw/zinc/13/23/25/458132325.db2.gz XKMBMIQHHAXKHZ-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435434179 458146130 /nfs/dbraw/zinc/14/61/30/458146130.db2.gz RGINXESHAZQRGH-GOSISDBHSA-N 2 2 342.462 3.186 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435434179 458146135 /nfs/dbraw/zinc/14/61/35/458146135.db2.gz RGINXESHAZQRGH-GOSISDBHSA-N 2 2 342.462 3.186 20 0 EGADLP C[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435621843 458173550 /nfs/dbraw/zinc/17/35/50/458173550.db2.gz AQVNFCAQCFIAMP-WMLDXEAASA-N 2 2 337.533 3.025 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435621843 458173556 /nfs/dbraw/zinc/17/35/56/458173556.db2.gz AQVNFCAQCFIAMP-WMLDXEAASA-N 2 2 337.533 3.025 20 0 EGADLP C[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435621842 458175068 /nfs/dbraw/zinc/17/50/68/458175068.db2.gz AQVNFCAQCFIAMP-RHSMWYFYSA-N 2 2 337.533 3.025 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435621842 458175072 /nfs/dbraw/zinc/17/50/72/458175072.db2.gz AQVNFCAQCFIAMP-RHSMWYFYSA-N 2 2 337.533 3.025 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376145346 458211317 /nfs/dbraw/zinc/21/13/17/458211317.db2.gz ALQKWSJDZYKOOQ-IBGZPJMESA-N 2 2 346.906 3.384 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376145346 458211325 /nfs/dbraw/zinc/21/13/25/458211325.db2.gz ALQKWSJDZYKOOQ-IBGZPJMESA-N 2 2 346.906 3.384 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000435879809 458218058 /nfs/dbraw/zinc/21/80/58/458218058.db2.gz FKFQGMAKYFCWFA-AWEZNQCLSA-N 2 2 344.240 3.038 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000435879809 458218063 /nfs/dbraw/zinc/21/80/63/458218063.db2.gz FKFQGMAKYFCWFA-AWEZNQCLSA-N 2 2 344.240 3.038 20 0 EGADLP Fc1ccc2nc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)sc2c1 ZINC000428879002 458227810 /nfs/dbraw/zinc/22/78/10/458227810.db2.gz BNMCAHZFFFQACI-ZDUSSCGKSA-N 2 2 349.475 3.026 20 0 EGADLP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C(F)(F)F)O1 ZINC000428932004 458234322 /nfs/dbraw/zinc/23/43/22/458234322.db2.gz QVZMSQWRPWHHMQ-OAHLLOKOSA-N 2 2 339.361 3.414 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C(F)(F)F)O1 ZINC000428932004 458234330 /nfs/dbraw/zinc/23/43/30/458234330.db2.gz QVZMSQWRPWHHMQ-OAHLLOKOSA-N 2 2 339.361 3.414 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526315 458246894 /nfs/dbraw/zinc/24/68/94/458246894.db2.gz QQKUEKOREULQQN-ZACQAIPSSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)cc(Cl)c1 ZINC000362526315 458246896 /nfs/dbraw/zinc/24/68/96/458246896.db2.gz QQKUEKOREULQQN-ZACQAIPSSA-N 2 2 326.843 3.163 20 0 EGADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000447067204 458260220 /nfs/dbraw/zinc/26/02/20/458260220.db2.gz JRFDJEZGBNGEBE-HXUWFJFHSA-N 2 2 341.455 3.284 20 0 EGADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000447067204 458260226 /nfs/dbraw/zinc/26/02/26/458260226.db2.gz JRFDJEZGBNGEBE-HXUWFJFHSA-N 2 2 341.455 3.284 20 0 EGADLP Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)c[nH+]1 ZINC000459090441 458263810 /nfs/dbraw/zinc/26/38/10/458263810.db2.gz ZMZQNXDTBREQFY-UHFFFAOYSA-N 2 2 346.519 3.352 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000376342419 458272887 /nfs/dbraw/zinc/27/28/87/458272887.db2.gz XOPZLPWHRMTXDA-MRXNPFEDSA-N 2 2 342.405 3.299 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)CC2 ZINC000376342419 458272890 /nfs/dbraw/zinc/27/28/90/458272890.db2.gz XOPZLPWHRMTXDA-MRXNPFEDSA-N 2 2 342.405 3.299 20 0 EGADLP C[N@H+](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000436283075 458282207 /nfs/dbraw/zinc/28/22/07/458282207.db2.gz KPNJMKVFSRJTJK-UHFFFAOYSA-N 2 2 326.469 3.360 20 0 EGADLP C[N@@H+](CC[NH2+]Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000436283075 458282212 /nfs/dbraw/zinc/28/22/12/458282212.db2.gz KPNJMKVFSRJTJK-UHFFFAOYSA-N 2 2 326.469 3.360 20 0 EGADLP COc1cccc2c(N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc[nH+]c12 ZINC000436437926 458304495 /nfs/dbraw/zinc/30/44/95/458304495.db2.gz WFHRYNLUFLVKCS-MRXNPFEDSA-N 2 2 325.456 3.412 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1F ZINC000414896694 458326230 /nfs/dbraw/zinc/32/62/30/458326230.db2.gz PRQNNGIUVIFDAH-SJLPKXTDSA-N 2 2 332.394 3.209 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc(OC)c1 ZINC000414885586 458326326 /nfs/dbraw/zinc/32/63/26/458326326.db2.gz CAQXXUQVCDACML-WOJBJXKFSA-N 2 2 344.430 3.078 20 0 EGADLP CCCCC[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369726079 458326791 /nfs/dbraw/zinc/32/67/91/458326791.db2.gz CYDWBEFLQPJKAZ-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369726079 458326797 /nfs/dbraw/zinc/32/67/97/458326797.db2.gz CYDWBEFLQPJKAZ-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444617 458333858 /nfs/dbraw/zinc/33/38/58/458333858.db2.gz OLVJJWPHKYSDSW-LEWJYISDSA-N 2 2 346.515 3.072 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444617 458333862 /nfs/dbraw/zinc/33/38/62/458333862.db2.gz OLVJJWPHKYSDSW-LEWJYISDSA-N 2 2 346.515 3.072 20 0 EGADLP COC1(C[C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCC1 ZINC000429521251 458340561 /nfs/dbraw/zinc/34/05/61/458340561.db2.gz MQXWXBDBVJMONR-KRWDZBQOSA-N 2 2 327.472 3.411 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459358811 458342329 /nfs/dbraw/zinc/34/23/29/458342329.db2.gz NHQZTNNQXZFDSU-UHFFFAOYSA-N 2 2 340.471 3.155 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459358811 458342333 /nfs/dbraw/zinc/34/23/33/458342333.db2.gz NHQZTNNQXZFDSU-UHFFFAOYSA-N 2 2 340.471 3.155 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551428 458343390 /nfs/dbraw/zinc/34/33/90/458343390.db2.gz UYESCVAIZFJQRC-WMZOPIPTSA-N 2 2 347.478 3.046 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551428 458343396 /nfs/dbraw/zinc/34/33/96/458343396.db2.gz UYESCVAIZFJQRC-WMZOPIPTSA-N 2 2 347.478 3.046 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)ccc1O ZINC000459392999 458357285 /nfs/dbraw/zinc/35/72/85/458357285.db2.gz VBJAVLYFZWVQAM-SFHVURJKSA-N 2 2 328.456 3.492 20 0 EGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684377 458358531 /nfs/dbraw/zinc/35/85/31/458358531.db2.gz KCYOXHGEMXMRGH-HXUWFJFHSA-N 2 2 328.500 3.398 20 0 EGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684377 458358534 /nfs/dbraw/zinc/35/85/34/458358534.db2.gz KCYOXHGEMXMRGH-HXUWFJFHSA-N 2 2 328.500 3.398 20 0 EGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684377 458358538 /nfs/dbraw/zinc/35/85/38/458358538.db2.gz KCYOXHGEMXMRGH-HXUWFJFHSA-N 2 2 328.500 3.398 20 0 EGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C1CC1)C1CC1 ZINC000429684377 458358541 /nfs/dbraw/zinc/35/85/41/458358541.db2.gz KCYOXHGEMXMRGH-HXUWFJFHSA-N 2 2 328.500 3.398 20 0 EGADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000447899405 458363942 /nfs/dbraw/zinc/36/39/42/458363942.db2.gz TWTZFUFIHIZCOK-KRWDZBQOSA-N 2 2 337.552 3.124 20 0 EGADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000447899405 458363946 /nfs/dbraw/zinc/36/39/46/458363946.db2.gz TWTZFUFIHIZCOK-KRWDZBQOSA-N 2 2 337.552 3.124 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1-c1ccccc1 ZINC000430132964 458406805 /nfs/dbraw/zinc/40/68/05/458406805.db2.gz DGOMPXLPCLHKFK-LLGFUMIMSA-N 2 2 338.499 3.343 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1-c1ccccc1 ZINC000430132964 458406806 /nfs/dbraw/zinc/40/68/06/458406806.db2.gz DGOMPXLPCLHKFK-LLGFUMIMSA-N 2 2 338.499 3.343 20 0 EGADLP c1cn(-c2csc(C[NH+]3CC(COc4ccccc4)C3)c2)c[nH+]1 ZINC000459638271 458433167 /nfs/dbraw/zinc/43/31/67/458433167.db2.gz YQQUQJNCJWSVEB-UHFFFAOYSA-N 2 2 325.437 3.445 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CCC[NH2+]1 ZINC000423439041 458433548 /nfs/dbraw/zinc/43/35/48/458433548.db2.gz VCKDCKLVLZXHMK-WFASDCNBSA-N 2 2 332.366 3.004 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423533233 458453961 /nfs/dbraw/zinc/45/39/61/458453961.db2.gz SQSVUTHYFVIQKJ-ZMSDIMECSA-N 2 2 327.497 3.428 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423559850 458457438 /nfs/dbraw/zinc/45/74/38/458457438.db2.gz JGBWWGYQMLQUBX-SFHVURJKSA-N 3 2 338.499 3.034 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000423580120 458459613 /nfs/dbraw/zinc/45/96/13/458459613.db2.gz XGMKWSJSVRTVCG-QGZVFWFLSA-N 3 2 341.474 3.470 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000430553056 458459918 /nfs/dbraw/zinc/45/99/18/458459918.db2.gz SUNBNMZRWOWYSY-NBHGPNQESA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000430553056 458459919 /nfs/dbraw/zinc/45/99/19/458459919.db2.gz SUNBNMZRWOWYSY-NBHGPNQESA-N 2 2 343.515 3.093 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000430576816 458465344 /nfs/dbraw/zinc/46/53/44/458465344.db2.gz YBMOOZFRZKPBIY-RHSMWYFYSA-N 2 2 328.460 3.419 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1 ZINC000430576816 458465345 /nfs/dbraw/zinc/46/53/45/458465345.db2.gz YBMOOZFRZKPBIY-RHSMWYFYSA-N 2 2 328.460 3.419 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603391 458470186 /nfs/dbraw/zinc/47/01/86/458470186.db2.gz YOXBAJUJAIVJFY-CABCVRRESA-N 2 2 342.462 3.059 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603391 458470191 /nfs/dbraw/zinc/47/01/91/458470191.db2.gz YOXBAJUJAIVJFY-CABCVRRESA-N 2 2 342.462 3.059 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430614382 458471449 /nfs/dbraw/zinc/47/14/49/458471449.db2.gz YXKTUEQXBNEPRA-INIZCTEOSA-N 2 2 339.439 3.088 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430614382 458471452 /nfs/dbraw/zinc/47/14/52/458471452.db2.gz YXKTUEQXBNEPRA-INIZCTEOSA-N 2 2 339.439 3.088 20 0 EGADLP CCC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C1CC[NH2+]CC1 ZINC000431074207 458524832 /nfs/dbraw/zinc/52/48/32/458524832.db2.gz RBJMWTXOOHZGNA-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP CCC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C1CC[NH2+]CC1 ZINC000431074207 458524835 /nfs/dbraw/zinc/52/48/35/458524835.db2.gz RBJMWTXOOHZGNA-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP [NH3+][C@H](CCC(=O)NCc1cn2ccccc2[nH+]1)CC1CCCCC1 ZINC000424130065 458566630 /nfs/dbraw/zinc/56/66/30/458566630.db2.gz DXYFHYJJHWNWRU-MRXNPFEDSA-N 2 2 328.460 3.028 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(C)cc2C)CC1 ZINC000546619415 458645418 /nfs/dbraw/zinc/64/54/18/458645418.db2.gz XYOHCYOHMFJMNY-GOSISDBHSA-N 2 2 346.515 3.242 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OCC(F)(F)F ZINC000494393241 458668853 /nfs/dbraw/zinc/66/88/53/458668853.db2.gz RDSPFMKJZCPJIC-GFCCVEGCSA-N 2 2 343.324 3.068 20 0 EGADLP Cc1cc(Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nc(C(C)C)[nH+]1 ZINC000471050041 458677604 /nfs/dbraw/zinc/67/76/04/458677604.db2.gz HWADGZCDXVXXMS-MRXNPFEDSA-N 2 2 340.471 3.467 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503101677 458692895 /nfs/dbraw/zinc/69/28/95/458692895.db2.gz IXJYWXMRYVLERC-CTNGQTDRSA-N 2 2 330.516 3.300 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000503101677 458692898 /nfs/dbraw/zinc/69/28/98/458692898.db2.gz IXJYWXMRYVLERC-CTNGQTDRSA-N 2 2 330.516 3.300 20 0 EGADLP CCCOc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495018814 458783929 /nfs/dbraw/zinc/78/39/29/458783929.db2.gz OMZVJLNDEDVKRE-INIZCTEOSA-N 2 2 329.444 3.457 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495018814 458783935 /nfs/dbraw/zinc/78/39/35/458783935.db2.gz OMZVJLNDEDVKRE-INIZCTEOSA-N 2 2 329.444 3.457 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472777674 458808193 /nfs/dbraw/zinc/80/81/93/458808193.db2.gz ZYVQVQYMKCQOCU-NBHGPNQESA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472777674 458808201 /nfs/dbraw/zinc/80/82/01/458808201.db2.gz ZYVQVQYMKCQOCU-NBHGPNQESA-N 2 2 342.458 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C[N@H+](Cc2ccccc2)C1 ZINC000433040900 458832590 /nfs/dbraw/zinc/83/25/90/458832590.db2.gz SLGQVJYVDBAKMT-LSTHTHJFSA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C[N@@H+](Cc2ccccc2)C1 ZINC000433040900 458832593 /nfs/dbraw/zinc/83/25/93/458832593.db2.gz SLGQVJYVDBAKMT-LSTHTHJFSA-N 2 2 336.479 3.360 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCC([NH2+]C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000495602883 458894809 /nfs/dbraw/zinc/89/48/09/458894809.db2.gz NTLVFXWRXUOGSS-KRWDZBQOSA-N 2 2 341.540 3.388 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000441198124 458898788 /nfs/dbraw/zinc/89/87/88/458898788.db2.gz AYJLSYBFXUULOA-DYESRHJHSA-N 2 2 349.478 3.033 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441350028 458924843 /nfs/dbraw/zinc/92/48/43/458924843.db2.gz GVLCDQXEIQPEBQ-ICSRJNTNSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441350028 458924848 /nfs/dbraw/zinc/92/48/48/458924848.db2.gz GVLCDQXEIQPEBQ-ICSRJNTNSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000441350028 458924851 /nfs/dbraw/zinc/92/48/51/458924851.db2.gz GVLCDQXEIQPEBQ-ICSRJNTNSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000441350028 458924855 /nfs/dbraw/zinc/92/48/55/458924855.db2.gz GVLCDQXEIQPEBQ-ICSRJNTNSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)n2c1 ZINC000495739056 458937764 /nfs/dbraw/zinc/93/77/64/458937764.db2.gz XVJVCORNBGAEGU-AWEZNQCLSA-N 2 2 332.448 3.036 20 0 EGADLP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000556240704 458941860 /nfs/dbraw/zinc/94/18/60/458941860.db2.gz ZADZQCOPUFMHDF-NHCUHLMSSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000556240704 458941865 /nfs/dbraw/zinc/94/18/65/458941865.db2.gz ZADZQCOPUFMHDF-NHCUHLMSSA-N 2 2 330.516 3.210 20 0 EGADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)C2 ZINC000556359684 458952137 /nfs/dbraw/zinc/95/21/37/458952137.db2.gz MFCHYZKQCVOENS-HNNXBMFYSA-N 2 2 349.438 3.007 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631732 458955992 /nfs/dbraw/zinc/95/59/92/458955992.db2.gz ONZDEZUQMDMMRD-SUMWQHHRSA-N 2 2 342.405 3.243 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631732 458955998 /nfs/dbraw/zinc/95/59/98/458955998.db2.gz ONZDEZUQMDMMRD-SUMWQHHRSA-N 2 2 342.405 3.243 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715750 458965834 /nfs/dbraw/zinc/96/58/34/458965834.db2.gz QCPOCMPRYRVBOY-MJGOQNOKSA-N 2 2 337.552 3.268 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715750 458965842 /nfs/dbraw/zinc/96/58/42/458965842.db2.gz QCPOCMPRYRVBOY-MJGOQNOKSA-N 2 2 337.552 3.268 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556573479 458973822 /nfs/dbraw/zinc/97/38/22/458973822.db2.gz KICSHNMOEGZHRX-IAGOWNOFSA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000556573479 458973828 /nfs/dbraw/zinc/97/38/28/458973828.db2.gz KICSHNMOEGZHRX-IAGOWNOFSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@H](C[NH2+][C@H](Cc1ccccc1Cl)C1CC1)C[NH+]1CCOCC1 ZINC000519704642 458990949 /nfs/dbraw/zinc/99/09/49/458990949.db2.gz FGHXTDOQSAYRJK-DNVCBOLYSA-N 2 2 336.907 3.219 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000577228536 459001408 /nfs/dbraw/zinc/00/14/08/459001408.db2.gz AXNCRTYMOAGVGH-HUUCEWRRSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000577228536 459001412 /nfs/dbraw/zinc/00/14/12/459001412.db2.gz AXNCRTYMOAGVGH-HUUCEWRRSA-N 2 2 337.427 3.329 20 0 EGADLP O=C1Nc2ccccc2C12CCC([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000531957106 459006217 /nfs/dbraw/zinc/00/62/17/459006217.db2.gz ILKROJGPWKEOKI-UHFFFAOYSA-N 2 2 338.455 3.086 20 0 EGADLP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000519831619 459013664 /nfs/dbraw/zinc/01/36/64/459013664.db2.gz CXLRMBNFACMWMB-RDTXWAMCSA-N 2 2 333.863 3.468 20 0 EGADLP C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCCc1c[nH+]cn1C ZINC000519831619 459013668 /nfs/dbraw/zinc/01/36/68/459013668.db2.gz CXLRMBNFACMWMB-RDTXWAMCSA-N 2 2 333.863 3.468 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442782524 459035368 /nfs/dbraw/zinc/03/53/68/459035368.db2.gz OGVASDGZTXQPSB-MBNYWOFBSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442782524 459035376 /nfs/dbraw/zinc/03/53/76/459035376.db2.gz OGVASDGZTXQPSB-MBNYWOFBSA-N 2 2 334.851 3.044 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000442803799 459039342 /nfs/dbraw/zinc/03/93/42/459039342.db2.gz UYNVVFRXPBORCP-HXUWFJFHSA-N 2 2 349.478 3.178 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000442803799 459039344 /nfs/dbraw/zinc/03/93/44/459039344.db2.gz UYNVVFRXPBORCP-HXUWFJFHSA-N 2 2 349.478 3.178 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000532204272 459047276 /nfs/dbraw/zinc/04/72/76/459047276.db2.gz KAHCUCQONWJYGJ-GOEBONIOSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000532204272 459047283 /nfs/dbraw/zinc/04/72/83/459047283.db2.gz KAHCUCQONWJYGJ-GOEBONIOSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000532204274 459047690 /nfs/dbraw/zinc/04/76/90/459047690.db2.gz KAHCUCQONWJYGJ-ZBFHGGJFSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000532204274 459047691 /nfs/dbraw/zinc/04/76/91/459047691.db2.gz KAHCUCQONWJYGJ-ZBFHGGJFSA-N 2 2 340.895 3.356 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000532239257 459052915 /nfs/dbraw/zinc/05/29/15/459052915.db2.gz MGSZFSHAXCALDG-LSDHHAIUSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000532239257 459052920 /nfs/dbraw/zinc/05/29/20/459052920.db2.gz MGSZFSHAXCALDG-LSDHHAIUSA-N 2 2 337.895 3.297 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)C(C)C)cc1 ZINC000567176074 459058795 /nfs/dbraw/zinc/05/87/95/459058795.db2.gz AZLOOYVWSFEQTL-LKUPVBHCSA-N 2 2 345.531 3.435 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C(C)C)cc1 ZINC000567176074 459058801 /nfs/dbraw/zinc/05/88/01/459058801.db2.gz AZLOOYVWSFEQTL-LKUPVBHCSA-N 2 2 345.531 3.435 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000557518591 459079787 /nfs/dbraw/zinc/07/97/87/459079787.db2.gz DGCNXNAUTSCSGM-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000532492014 459099319 /nfs/dbraw/zinc/09/93/19/459099319.db2.gz STXINJSPEKEMDS-AQFXKWCLSA-N 2 2 344.421 3.423 20 0 EGADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000567442091 459105483 /nfs/dbraw/zinc/10/54/83/459105483.db2.gz XHPRGIHOFBNGHK-KRWDZBQOSA-N 2 2 344.503 3.087 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3[C@H](C)CCC[C@@H]3C)c2cc1C ZINC000521219864 459131371 /nfs/dbraw/zinc/13/13/71/459131371.db2.gz URQJUCBQFVTUCB-QRKDATQKSA-N 2 2 329.488 3.428 20 0 EGADLP COc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000532778063 459142655 /nfs/dbraw/zinc/14/26/55/459142655.db2.gz JPNNQXFSSAHQFY-YOEHRIQHSA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778063 459142662 /nfs/dbraw/zinc/14/26/62/459142662.db2.gz JPNNQXFSSAHQFY-YOEHRIQHSA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778063 459142670 /nfs/dbraw/zinc/14/26/70/459142670.db2.gz JPNNQXFSSAHQFY-YOEHRIQHSA-N 2 2 335.879 3.192 20 0 EGADLP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000567712560 459152131 /nfs/dbraw/zinc/15/21/31/459152131.db2.gz ARUWYLVVTVQOHT-MRXNPFEDSA-N 2 2 341.459 3.000 20 0 EGADLP c1cn(Cc2ccc(N[C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)[nH+]c2)c[nH+]1 ZINC000558417557 459155993 /nfs/dbraw/zinc/15/59/93/459155993.db2.gz GQBDTFZSJQXCHG-FGTMMUONSA-N 2 2 326.444 3.334 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2ccc(C)nc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000578314064 459180084 /nfs/dbraw/zinc/18/00/84/459180084.db2.gz XBBOFXFTVICYEV-VQTJNVASSA-N 2 2 325.456 3.024 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000578439044 459201757 /nfs/dbraw/zinc/20/17/57/459201757.db2.gz VGJDSXDJFSLTSV-PXNSSMCTSA-N 2 2 338.499 3.005 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2ccccc2Oc2cc[nH+]cc2)CCCC1 ZINC000558714385 459201772 /nfs/dbraw/zinc/20/17/72/459201772.db2.gz HJFHRGDOOUTISZ-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000567990661 459203826 /nfs/dbraw/zinc/20/38/26/459203826.db2.gz UYBMBJSYXMHWBR-CVEARBPZSA-N 2 2 343.496 3.250 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000567990661 459203829 /nfs/dbraw/zinc/20/38/29/459203829.db2.gz UYBMBJSYXMHWBR-CVEARBPZSA-N 2 2 343.496 3.250 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000578523915 459217054 /nfs/dbraw/zinc/21/70/54/459217054.db2.gz VKKQMMCJFWGQMP-IAGOWNOFSA-N 2 2 347.503 3.122 20 0 EGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273733 459247612 /nfs/dbraw/zinc/24/76/12/459247612.db2.gz ZGAMPSMNVNNVCB-DZGCQCFKSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273733 459247617 /nfs/dbraw/zinc/24/76/17/459247617.db2.gz ZGAMPSMNVNNVCB-DZGCQCFKSA-N 2 2 337.305 3.238 20 0 EGADLP CC[C@H](C[NH2+]Cc1c[nH+]c2c(C)cccn12)NC(=O)OC(C)(C)C ZINC000496584914 459248636 /nfs/dbraw/zinc/24/86/36/459248636.db2.gz PDEQIHAXKXPVMD-CQSZACIVSA-N 2 2 332.448 3.036 20 0 EGADLP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000559560693 459264923 /nfs/dbraw/zinc/26/49/23/459264923.db2.gz XKILBTKAEAGKEX-MRXNPFEDSA-N 2 2 326.425 3.187 20 0 EGADLP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000559560693 459264928 /nfs/dbraw/zinc/26/49/28/459264928.db2.gz XKILBTKAEAGKEX-MRXNPFEDSA-N 2 2 326.425 3.187 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(C4CCCC4)C3)c2cc1C ZINC000481722351 459270863 /nfs/dbraw/zinc/27/08/63/459270863.db2.gz YGGUNINKDPBDPG-GOSISDBHSA-N 2 2 327.472 3.136 20 0 EGADLP CC1=CC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000559912412 459284311 /nfs/dbraw/zinc/28/43/11/459284311.db2.gz ZSJXVBDZSSMZBY-INIZCTEOSA-N 2 2 340.471 3.348 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[N@H+](C)Cc1ccccc1 ZINC000534063994 459288450 /nfs/dbraw/zinc/28/84/50/459288450.db2.gz ZBTGIARCXQOTLI-MDNKFWRPSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000534063994 459288456 /nfs/dbraw/zinc/28/84/56/459288456.db2.gz ZBTGIARCXQOTLI-MDNKFWRPSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082562 459309577 /nfs/dbraw/zinc/30/95/77/459309577.db2.gz POOFJFKCBORHDH-RHSMWYFYSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000591082562 459309581 /nfs/dbraw/zinc/30/95/81/459309581.db2.gz POOFJFKCBORHDH-RHSMWYFYSA-N 2 2 346.862 3.051 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](C[C@H]2CCCC2(F)F)CC1 ZINC000560186411 459310663 /nfs/dbraw/zinc/31/06/63/459310663.db2.gz OBFOQINLBXTZOV-MRXNPFEDSA-N 2 2 340.462 3.407 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](C[C@H]2CCCC2(F)F)CC1 ZINC000560186411 459310669 /nfs/dbraw/zinc/31/06/69/459310669.db2.gz OBFOQINLBXTZOV-MRXNPFEDSA-N 2 2 340.462 3.407 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000591082962 459310678 /nfs/dbraw/zinc/31/06/78/459310678.db2.gz LUBVNXIYPKHFNX-CYBMUJFWSA-N 2 2 343.818 3.424 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000591082962 459310680 /nfs/dbraw/zinc/31/06/80/459310680.db2.gz LUBVNXIYPKHFNX-CYBMUJFWSA-N 2 2 343.818 3.424 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@@H+]1C1CC1 ZINC000560575288 459375500 /nfs/dbraw/zinc/37/55/00/459375500.db2.gz WSRGOENBRAJWNI-NHAHKUSKSA-N 2 2 336.426 3.480 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000560575288 459375507 /nfs/dbraw/zinc/37/55/07/459375507.db2.gz WSRGOENBRAJWNI-NHAHKUSKSA-N 2 2 336.426 3.480 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497001728 459401263 /nfs/dbraw/zinc/40/12/63/459401263.db2.gz KERUTVYDEPAIEU-HRCADAONSA-N 2 2 336.480 3.039 20 0 EGADLP CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCCCCC1 ZINC000582710506 459413669 /nfs/dbraw/zinc/41/36/69/459413669.db2.gz VZJONGSDZGHKMV-IKGGRYGDSA-N 2 2 347.507 3.089 20 0 EGADLP Cc1ccc(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484640201 459424900 /nfs/dbraw/zinc/42/49/00/459424900.db2.gz FYFKEFGWPVTLGK-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1ccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1C ZINC000484640201 459424907 /nfs/dbraw/zinc/42/49/07/459424907.db2.gz FYFKEFGWPVTLGK-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779653 459425728 /nfs/dbraw/zinc/42/57/28/459425728.db2.gz JNFBXOOTNKDBKI-YESZJQIVSA-N 2 2 343.450 3.011 20 0 EGADLP Fc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000582779653 459425737 /nfs/dbraw/zinc/42/57/37/459425737.db2.gz JNFBXOOTNKDBKI-YESZJQIVSA-N 2 2 343.450 3.011 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](CCOc1ccc(F)cc1Cl)CC2 ZINC000541336541 459445595 /nfs/dbraw/zinc/44/55/95/459445595.db2.gz JVQXHDHDKJQZAH-UHFFFAOYSA-N 2 2 326.843 3.418 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccc(F)cc1Cl)CC2 ZINC000541336541 459445594 /nfs/dbraw/zinc/44/55/94/459445594.db2.gz JVQXHDHDKJQZAH-UHFFFAOYSA-N 2 2 326.843 3.418 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464648 459456736 /nfs/dbraw/zinc/45/67/36/459456736.db2.gz SGFQRTNBCRSSPE-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464648 459456742 /nfs/dbraw/zinc/45/67/42/459456742.db2.gz SGFQRTNBCRSSPE-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000569464648 459456749 /nfs/dbraw/zinc/45/67/49/459456749.db2.gz SGFQRTNBCRSSPE-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000569464648 459456752 /nfs/dbraw/zinc/45/67/52/459456752.db2.gz SGFQRTNBCRSSPE-RDTXWAMCSA-N 2 2 348.462 3.292 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867946 459460601 /nfs/dbraw/zinc/46/06/01/459460601.db2.gz UMZQDZQOMXLBQW-MRXNPFEDSA-N 2 2 326.444 3.282 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867946 459460606 /nfs/dbraw/zinc/46/06/06/459460606.db2.gz UMZQDZQOMXLBQW-MRXNPFEDSA-N 2 2 326.444 3.282 20 0 EGADLP CCn1ccnc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000525696502 459479590 /nfs/dbraw/zinc/47/95/90/459479590.db2.gz MMDUFPAISPCVTC-UHFFFAOYSA-N 2 2 338.455 3.418 20 0 EGADLP CCn1ccnc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000525696502 459479596 /nfs/dbraw/zinc/47/95/96/459479596.db2.gz MMDUFPAISPCVTC-UHFFFAOYSA-N 2 2 338.455 3.418 20 0 EGADLP O[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000486176526 459491537 /nfs/dbraw/zinc/49/15/37/459491537.db2.gz VMRKXTDSCFAXOQ-WOJBJXKFSA-N 2 2 344.886 3.476 20 0 EGADLP CC1CCC([NH+]2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)CC1 ZINC000541834462 459495966 /nfs/dbraw/zinc/49/59/66/459495966.db2.gz AANBXTOCLUGPGF-UHFFFAOYSA-N 2 2 343.519 3.168 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000583316357 459518369 /nfs/dbraw/zinc/51/83/69/459518369.db2.gz RRBDQXYOBSMKGO-BBWFWOEESA-N 2 2 333.524 3.356 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@H](C)CC(C)(C)C3)c2cc1C ZINC000542250092 459538364 /nfs/dbraw/zinc/53/83/64/459538364.db2.gz QDAWDYDEJCRUMK-PBHICJAKSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@H](C)CC(C)(C)C3)c2cc1C ZINC000542250092 459538371 /nfs/dbraw/zinc/53/83/71/459538371.db2.gz QDAWDYDEJCRUMK-PBHICJAKSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)n1C ZINC000583510706 459552413 /nfs/dbraw/zinc/55/24/13/459552413.db2.gz ABOVELNXEMQBTA-UHFFFAOYSA-N 2 2 333.863 3.220 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535703 459555181 /nfs/dbraw/zinc/55/51/81/459555181.db2.gz YYCRQFCVSSGEAQ-ZVDOUQERSA-N 2 2 347.547 3.158 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000583535703 459555187 /nfs/dbraw/zinc/55/51/87/459555187.db2.gz YYCRQFCVSSGEAQ-ZVDOUQERSA-N 2 2 347.547 3.158 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478853 459570360 /nfs/dbraw/zinc/57/03/60/459570360.db2.gz PQGNOZNRQUTTQC-HNNXBMFYSA-N 2 2 342.936 3.209 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478853 459570364 /nfs/dbraw/zinc/57/03/64/459570364.db2.gz PQGNOZNRQUTTQC-HNNXBMFYSA-N 2 2 342.936 3.209 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824335 459606362 /nfs/dbraw/zinc/60/63/62/459606362.db2.gz DLHKYNSGRVVMOE-OALUTQOASA-N 2 2 337.552 3.125 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824335 459606365 /nfs/dbraw/zinc/60/63/65/459606365.db2.gz DLHKYNSGRVVMOE-OALUTQOASA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000562777969 459645512 /nfs/dbraw/zinc/64/55/12/459645512.db2.gz BFJRGIFUTQSTMG-FOIQADDNSA-N 2 2 339.414 3.266 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499704487 459648617 /nfs/dbraw/zinc/64/86/17/459648617.db2.gz IBMLYWSJGJSTDG-NYVOZVTQSA-N 2 2 338.495 3.497 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499704487 459648622 /nfs/dbraw/zinc/64/86/22/459648622.db2.gz IBMLYWSJGJSTDG-NYVOZVTQSA-N 2 2 338.495 3.497 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000543406939 459654870 /nfs/dbraw/zinc/65/48/70/459654870.db2.gz OSCNBSGWKLDXSW-INIZCTEOSA-N 2 2 334.423 3.408 20 0 EGADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000562955942 459679417 /nfs/dbraw/zinc/67/94/17/459679417.db2.gz PFXVZSAENJVJJA-LJQANCHMSA-N 2 2 347.466 3.462 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000527637850 459680173 /nfs/dbraw/zinc/68/01/73/459680173.db2.gz PJCYOXPBEVMYKC-SNVBAGLBSA-N 2 2 345.231 3.301 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1F ZINC000527637850 459680176 /nfs/dbraw/zinc/68/01/76/459680176.db2.gz PJCYOXPBEVMYKC-SNVBAGLBSA-N 2 2 345.231 3.301 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000527638568 459680371 /nfs/dbraw/zinc/68/03/71/459680371.db2.gz VMMHWKPJKPLOKW-VXGBXAGGSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000527638568 459680375 /nfs/dbraw/zinc/68/03/75/459680375.db2.gz VMMHWKPJKPLOKW-VXGBXAGGSA-N 2 2 345.231 3.444 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccco1 ZINC000573457817 459681383 /nfs/dbraw/zinc/68/13/83/459681383.db2.gz GLXLIYUIQYIBLT-CJNGLKHVSA-N 2 2 340.427 3.095 20 0 EGADLP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000566117858 459808874 /nfs/dbraw/zinc/80/88/74/459808874.db2.gz VBDRFHLESXKGFN-FQEVSTJZSA-N 2 2 337.467 3.269 20 0 EGADLP O=C(CC[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccc1 ZINC000566117858 459808877 /nfs/dbraw/zinc/80/88/77/459808877.db2.gz VBDRFHLESXKGFN-FQEVSTJZSA-N 2 2 337.467 3.269 20 0 EGADLP C[N@H+](CCC(=O)NCCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000545308674 459823398 /nfs/dbraw/zinc/82/33/98/459823398.db2.gz ZWAOYGSBQJMMRX-UHFFFAOYSA-N 2 2 332.492 3.045 20 0 EGADLP C[N@@H+](CCC(=O)NCCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000545308674 459823404 /nfs/dbraw/zinc/82/34/04/459823404.db2.gz ZWAOYGSBQJMMRX-UHFFFAOYSA-N 2 2 332.492 3.045 20 0 EGADLP C[C@H](CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000566331285 459843232 /nfs/dbraw/zinc/84/32/32/459843232.db2.gz PSEVNMAXMUNLNM-ZWKOTPCHSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000566331285 459843236 /nfs/dbraw/zinc/84/32/36/459843236.db2.gz PSEVNMAXMUNLNM-ZWKOTPCHSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)Cn1cccn1 ZINC000575174974 459941476 /nfs/dbraw/zinc/94/14/76/459941476.db2.gz PQAPNEQSEMMSQI-INIZCTEOSA-N 2 2 346.906 3.427 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000575203063 459948718 /nfs/dbraw/zinc/94/87/18/459948718.db2.gz CTRLIBYOLPAUOK-AWEZNQCLSA-N 2 2 339.468 3.032 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000575203063 459948728 /nfs/dbraw/zinc/94/87/28/459948728.db2.gz CTRLIBYOLPAUOK-AWEZNQCLSA-N 2 2 339.468 3.032 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689458 459971324 /nfs/dbraw/zinc/97/13/24/459971324.db2.gz NITHEHPPRSHSIG-WMLDXEAASA-N 2 2 334.410 3.108 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000588689458 459971329 /nfs/dbraw/zinc/97/13/29/459971329.db2.gz NITHEHPPRSHSIG-WMLDXEAASA-N 2 2 334.410 3.108 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575427396 459973365 /nfs/dbraw/zinc/97/33/65/459973365.db2.gz PZKVQHHSSJHCKJ-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575427396 459973371 /nfs/dbraw/zinc/97/33/71/459973371.db2.gz PZKVQHHSSJHCKJ-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c2ccccc21 ZINC000621760507 460054681 /nfs/dbraw/zinc/05/46/81/460054681.db2.gz MVOKCVSKECGFQU-HKUYNNGSSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c2ccccc21 ZINC000621760507 460054690 /nfs/dbraw/zinc/05/46/90/460054690.db2.gz MVOKCVSKECGFQU-HKUYNNGSSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000621765256 460058041 /nfs/dbraw/zinc/05/80/41/460058041.db2.gz VJOXGXKHMMDWJB-CMKODMSKSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000621765256 460058044 /nfs/dbraw/zinc/05/80/44/460058044.db2.gz VJOXGXKHMMDWJB-CMKODMSKSA-N 2 2 327.472 3.091 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576122735 460075376 /nfs/dbraw/zinc/07/53/76/460075376.db2.gz LMOUSNPPKKOTCS-XLIONFOSSA-N 2 2 334.479 3.334 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576122735 460075385 /nfs/dbraw/zinc/07/53/85/460075385.db2.gz LMOUSNPPKKOTCS-XLIONFOSSA-N 2 2 334.479 3.334 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602770411 460116541 /nfs/dbraw/zinc/11/65/41/460116541.db2.gz BRPXOEUWHYGLTF-QGZVFWFLSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602770411 460116544 /nfs/dbraw/zinc/11/65/44/460116544.db2.gz BRPXOEUWHYGLTF-QGZVFWFLSA-N 2 2 337.423 3.088 20 0 EGADLP Cn1nc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c2ccccc21 ZINC000589647612 460123050 /nfs/dbraw/zinc/12/30/50/460123050.db2.gz QTYVOJROLGXYJC-UHFFFAOYSA-N 2 2 326.488 3.318 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576505074 460155769 /nfs/dbraw/zinc/15/57/69/460155769.db2.gz GEYYPVRUALUIKV-NHCUHLMSSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576505074 460155773 /nfs/dbraw/zinc/15/57/73/460155773.db2.gz GEYYPVRUALUIKV-NHCUHLMSSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576505074 460155777 /nfs/dbraw/zinc/15/57/77/460155777.db2.gz GEYYPVRUALUIKV-NHCUHLMSSA-N 3 2 329.532 3.172 20 0 EGADLP CC[NH+](CC)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576505074 460155780 /nfs/dbraw/zinc/15/57/80/460155780.db2.gz GEYYPVRUALUIKV-NHCUHLMSSA-N 3 2 329.532 3.172 20 0 EGADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000615302815 460307030 /nfs/dbraw/zinc/30/70/30/460307030.db2.gz OQKYZJIATMALCB-YOEHRIQHSA-N 2 2 325.412 3.039 20 0 EGADLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517217 460315124 /nfs/dbraw/zinc/31/51/24/460315124.db2.gz JDIGWPQYBYKGSB-IBGZPJMESA-N 2 2 332.488 3.207 20 0 EGADLP CC(C)(C)OC(=O)CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000611367401 460346479 /nfs/dbraw/zinc/34/64/79/460346479.db2.gz DUCBCZUZFMQYSX-UHFFFAOYSA-N 2 2 347.503 3.148 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@@H+]1C1CC1 ZINC000611438969 460365084 /nfs/dbraw/zinc/36/50/84/460365084.db2.gz BHDJEYNFKYBXCF-RHSMWYFYSA-N 2 2 330.472 3.357 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@H+]1C1CC1 ZINC000611438969 460365091 /nfs/dbraw/zinc/36/50/91/460365091.db2.gz BHDJEYNFKYBXCF-RHSMWYFYSA-N 2 2 330.472 3.357 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000623089720 460408477 /nfs/dbraw/zinc/40/84/77/460408477.db2.gz VHRKFLZBGJWBFZ-UHFFFAOYSA-N 2 2 349.425 3.332 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088757 460408713 /nfs/dbraw/zinc/40/87/13/460408713.db2.gz CMRBXKSXKAWJGC-UHFFFAOYSA-N 2 2 348.441 3.247 20 0 EGADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000631579467 460453671 /nfs/dbraw/zinc/45/36/71/460453671.db2.gz IQTMSBXPNKRYPE-AVRDEDQJSA-N 2 2 337.511 3.120 20 0 EGADLP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000631579467 460453679 /nfs/dbraw/zinc/45/36/79/460453679.db2.gz IQTMSBXPNKRYPE-AVRDEDQJSA-N 2 2 337.511 3.120 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)n1cc[nH+]c1 ZINC000635426549 460782892 /nfs/dbraw/zinc/78/28/92/460782892.db2.gz VMZWWMJEUUNVEE-SFHVURJKSA-N 2 2 334.508 3.049 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)n1cc[nH+]c1 ZINC000635426549 460782898 /nfs/dbraw/zinc/78/28/98/460782898.db2.gz VMZWWMJEUUNVEE-SFHVURJKSA-N 2 2 334.508 3.049 20 0 EGADLP c1cn(-c2cc(Nc3ccc4c(c3)[nH+]c3n4CCCCC3)ncn2)c[nH+]1 ZINC000607142157 460796331 /nfs/dbraw/zinc/79/63/31/460796331.db2.gz LQDINNXQFBZGPQ-UHFFFAOYSA-N 2 2 345.410 3.482 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000629558173 460807602 /nfs/dbraw/zinc/80/76/02/460807602.db2.gz SLMVDSNYBDWTMK-UHFFFAOYSA-N 2 2 334.876 3.497 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000629558173 460807604 /nfs/dbraw/zinc/80/76/04/460807604.db2.gz SLMVDSNYBDWTMK-UHFFFAOYSA-N 2 2 334.876 3.497 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563370 460811210 /nfs/dbraw/zinc/81/12/10/460811210.db2.gz PKWVXSUTRKODLA-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563370 460811213 /nfs/dbraw/zinc/81/12/13/460811213.db2.gz PKWVXSUTRKODLA-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565168 460811479 /nfs/dbraw/zinc/81/14/79/460811479.db2.gz VQCXMQBNZRHQQM-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565168 460811482 /nfs/dbraw/zinc/81/14/82/460811482.db2.gz VQCXMQBNZRHQQM-DGCLKSJQSA-N 2 2 336.785 3.308 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656442 460850995 /nfs/dbraw/zinc/85/09/95/460850995.db2.gz ORBAEAFENUZWCJ-UKRRQHHQSA-N 2 2 346.441 3.214 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629656442 460851003 /nfs/dbraw/zinc/85/10/03/460851003.db2.gz ORBAEAFENUZWCJ-UKRRQHHQSA-N 2 2 346.441 3.214 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629657230 460851134 /nfs/dbraw/zinc/85/11/34/460851134.db2.gz VAIKRVQHORNQEB-STQMWFEESA-N 2 2 334.357 3.184 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629657230 460851140 /nfs/dbraw/zinc/85/11/40/460851140.db2.gz VAIKRVQHORNQEB-STQMWFEESA-N 2 2 334.357 3.184 20 0 EGADLP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635657788 460874277 /nfs/dbraw/zinc/87/42/77/460874277.db2.gz DOHKFDILECFWFQ-IBGZPJMESA-N 2 2 348.535 3.345 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701906 460875305 /nfs/dbraw/zinc/87/53/05/460875305.db2.gz GIFLBGJYLWXOKL-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701906 460875312 /nfs/dbraw/zinc/87/53/12/460875312.db2.gz GIFLBGJYLWXOKL-KKSFZXQISA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624290025 460945507 /nfs/dbraw/zinc/94/55/07/460945507.db2.gz UOQLMTMXUCKSBD-SSKCKEOISA-N 2 2 343.298 3.489 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000608084884 460981025 /nfs/dbraw/zinc/98/10/25/460981025.db2.gz MJWSSPLQOWTHCU-HNNXBMFYSA-N 2 2 342.491 3.266 20 0 EGADLP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000621336149 460993996 /nfs/dbraw/zinc/99/39/96/460993996.db2.gz MTCSEUCNPOLMQH-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000621336149 460994001 /nfs/dbraw/zinc/99/40/01/460994001.db2.gz MTCSEUCNPOLMQH-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183223 461035926 /nfs/dbraw/zinc/03/59/26/461035926.db2.gz UPRISHQOYQVXLQ-HIFRSBDPSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183223 461035933 /nfs/dbraw/zinc/03/59/33/461035933.db2.gz UPRISHQOYQVXLQ-HIFRSBDPSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183223 461035935 /nfs/dbraw/zinc/03/59/35/461035935.db2.gz UPRISHQOYQVXLQ-HIFRSBDPSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(Br)cn2)C[C@H]1C ZINC000628183223 461035940 /nfs/dbraw/zinc/03/59/40/461035940.db2.gz UPRISHQOYQVXLQ-HIFRSBDPSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)n1C ZINC000668139538 461126754 /nfs/dbraw/zinc/12/67/54/461126754.db2.gz CDYHQSUXKLBGNO-UHFFFAOYSA-N 2 2 327.350 3.302 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)n1C ZINC000668139538 461126765 /nfs/dbraw/zinc/12/67/65/461126765.db2.gz CDYHQSUXKLBGNO-UHFFFAOYSA-N 2 2 327.350 3.302 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)cc2[nH+]1 ZINC000668152042 461138155 /nfs/dbraw/zinc/13/81/55/461138155.db2.gz XMXYWSVWOHEJCU-CABCVRRESA-N 2 2 329.448 3.027 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000668169233 461154333 /nfs/dbraw/zinc/15/43/33/461154333.db2.gz LHUPANKSQPUHGI-GOSISDBHSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)cc2[nH+]1 ZINC000668169233 461154336 /nfs/dbraw/zinc/15/43/36/461154336.db2.gz LHUPANKSQPUHGI-GOSISDBHSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168721 /nfs/dbraw/zinc/16/87/21/461168721.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168724 /nfs/dbraw/zinc/16/87/24/461168724.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168726 /nfs/dbraw/zinc/16/87/26/461168726.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549161 461168730 /nfs/dbraw/zinc/16/87/30/461168730.db2.gz WCVPALCYWFDHJL-WIYYLYMNSA-N 2 2 338.499 3.312 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000649574670 461187197 /nfs/dbraw/zinc/18/71/97/461187197.db2.gz RCQWDWIZROZQMA-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000649574670 461187202 /nfs/dbraw/zinc/18/72/02/461187202.db2.gz RCQWDWIZROZQMA-VQIMIIECSA-N 2 2 325.456 3.405 20 0 EGADLP CC(C)CC[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000638050775 461214767 /nfs/dbraw/zinc/21/47/67/461214767.db2.gz RQIKYUOXKNZSTL-DZGCQCFKSA-N 2 2 338.521 3.077 20 0 EGADLP C[C@H](c1ccncc1)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613846 461222515 /nfs/dbraw/zinc/22/25/15/461222515.db2.gz YHPRKEAXOYRZAB-AEFFLSMTSA-N 2 2 338.455 3.291 20 0 EGADLP C[C@H](c1ccncc1)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000649613846 461222520 /nfs/dbraw/zinc/22/25/20/461222520.db2.gz YHPRKEAXOYRZAB-AEFFLSMTSA-N 2 2 338.455 3.291 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134987 461266384 /nfs/dbraw/zinc/26/63/84/461266384.db2.gz QXEQOSCTMBRJNC-CQSZACIVSA-N 2 2 338.879 3.218 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134987 461266394 /nfs/dbraw/zinc/26/63/94/461266394.db2.gz QXEQOSCTMBRJNC-CQSZACIVSA-N 2 2 338.879 3.218 20 0 EGADLP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134987 461266402 /nfs/dbraw/zinc/26/64/02/461266402.db2.gz QXEQOSCTMBRJNC-CQSZACIVSA-N 2 2 338.879 3.218 20 0 EGADLP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134987 461266410 /nfs/dbraw/zinc/26/64/10/461266410.db2.gz QXEQOSCTMBRJNC-CQSZACIVSA-N 2 2 338.879 3.218 20 0 EGADLP CN1CC[NH+](CC2(C)CCN(c3cc(C(C)(C)C)cc[nH+]3)CC2)CC1 ZINC000641490187 461266551 /nfs/dbraw/zinc/26/65/51/461266551.db2.gz XOPLOELDLUPQTF-UHFFFAOYSA-N 2 2 344.547 3.233 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173339 461286548 /nfs/dbraw/zinc/28/65/48/461286548.db2.gz WGIZKNQLSIWGCV-SWLSCSKDSA-N 2 2 335.835 3.334 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173339 461286553 /nfs/dbraw/zinc/28/65/53/461286553.db2.gz WGIZKNQLSIWGCV-SWLSCSKDSA-N 2 2 335.835 3.334 20 0 EGADLP CN(CCC[N@H+](C)Cc1ccncc1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000641647541 461304245 /nfs/dbraw/zinc/30/42/45/461304245.db2.gz XENBEMLAAHHNIZ-UHFFFAOYSA-N 2 2 327.476 3.127 20 0 EGADLP CN(CCC[N@@H+](C)Cc1ccncc1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000641647541 461304254 /nfs/dbraw/zinc/30/42/54/461304254.db2.gz XENBEMLAAHHNIZ-UHFFFAOYSA-N 2 2 327.476 3.127 20 0 EGADLP CSc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000641708481 461330450 /nfs/dbraw/zinc/33/04/50/461330450.db2.gz RMBTWKVKVYQHIT-UHFFFAOYSA-N 2 2 345.512 3.039 20 0 EGADLP CSc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000641708481 461330458 /nfs/dbraw/zinc/33/04/58/461330458.db2.gz RMBTWKVKVYQHIT-UHFFFAOYSA-N 2 2 345.512 3.039 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H](OC)C1CCOCC1)c1ccccc1 ZINC000638287246 461348419 /nfs/dbraw/zinc/34/84/19/461348419.db2.gz SKPAYZSJRGXNRM-VQTJNVASSA-N 2 2 334.504 3.101 20 0 EGADLP CSc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000641764688 461359523 /nfs/dbraw/zinc/35/95/23/461359523.db2.gz VTDIBNKWGTXILM-SFHVURJKSA-N 2 2 346.496 3.382 20 0 EGADLP CSc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000641764688 461359531 /nfs/dbraw/zinc/35/95/31/461359531.db2.gz VTDIBNKWGTXILM-SFHVURJKSA-N 2 2 346.496 3.382 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000655691575 461365004 /nfs/dbraw/zinc/36/50/04/461365004.db2.gz VTNHOJUZZXJEMU-CJNGLKHVSA-N 2 2 340.414 3.192 20 0 EGADLP Cn1cc[nH+]c1[C@H]1N(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1(C)C ZINC000662756196 461365841 /nfs/dbraw/zinc/36/58/41/461365841.db2.gz IDTKBTLVHIUIFS-FUHWJXTLSA-N 2 2 346.519 3.408 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3F)nc2C)CC1 ZINC000655704565 461375463 /nfs/dbraw/zinc/37/54/63/461375463.db2.gz FWEAUYACMOEPJO-UHFFFAOYSA-N 2 2 330.451 3.284 20 0 EGADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000641803757 461381350 /nfs/dbraw/zinc/38/13/50/461381350.db2.gz HCODNLRFJSIHJT-GJZGRUSLSA-N 2 2 335.448 3.077 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655719651 461388847 /nfs/dbraw/zinc/38/88/47/461388847.db2.gz UREBRUJYLIZAQD-GPMSIDNRSA-N 2 2 332.488 3.030 20 0 EGADLP Cc1cc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)ccc1F ZINC000655736629 461404023 /nfs/dbraw/zinc/40/40/23/461404023.db2.gz IETAUBIWBLTAOG-QUCCMNQESA-N 2 2 332.463 3.428 20 0 EGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000638431496 461425910 /nfs/dbraw/zinc/42/59/10/461425910.db2.gz FGLLBSXYFMRFKS-UHFFFAOYSA-N 2 2 345.512 3.135 20 0 EGADLP C[NH+](C)CCC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000659854465 461457433 /nfs/dbraw/zinc/45/74/33/461457433.db2.gz ZLKYMUKZTAVYFX-UHFFFAOYSA-N 2 2 332.311 3.069 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858620 461461590 /nfs/dbraw/zinc/46/15/90/461461590.db2.gz XMCHNUSNUMGSRI-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858620 461461597 /nfs/dbraw/zinc/46/15/97/461461597.db2.gz XMCHNUSNUMGSRI-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858620 461461601 /nfs/dbraw/zinc/46/16/01/461461601.db2.gz XMCHNUSNUMGSRI-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659858620 461461606 /nfs/dbraw/zinc/46/16/06/461461606.db2.gz XMCHNUSNUMGSRI-BBRMVZONSA-N 2 2 332.410 3.399 20 0 EGADLP Cc1cnc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)c1 ZINC000655808740 461465409 /nfs/dbraw/zinc/46/54/09/461465409.db2.gz HULGBHHTAKGCFL-UHFFFAOYSA-N 2 2 329.410 3.247 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000659875035 461475329 /nfs/dbraw/zinc/47/53/29/461475329.db2.gz KFBFQZGAKDQODR-HNNXBMFYSA-N 2 2 332.410 3.231 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000659875035 461475334 /nfs/dbraw/zinc/47/53/34/461475334.db2.gz KFBFQZGAKDQODR-HNNXBMFYSA-N 2 2 332.410 3.231 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000659882621 461480744 /nfs/dbraw/zinc/48/07/44/461480744.db2.gz JUAOFJPMYJQURU-AWEZNQCLSA-N 2 2 325.334 3.461 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000659882621 461480749 /nfs/dbraw/zinc/48/07/49/461480749.db2.gz JUAOFJPMYJQURU-AWEZNQCLSA-N 2 2 325.334 3.461 20 0 EGADLP C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072123 461487810 /nfs/dbraw/zinc/48/78/10/461487810.db2.gz DWGXSHFSXSCLDM-RDJZCZTQSA-N 2 2 345.512 3.117 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848728 461495630 /nfs/dbraw/zinc/49/56/30/461495630.db2.gz KAJPTBKKAQJMEI-DZFGPLHGSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848728 461495642 /nfs/dbraw/zinc/49/56/42/461495642.db2.gz KAJPTBKKAQJMEI-DZFGPLHGSA-N 2 2 343.515 3.191 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848297 461496210 /nfs/dbraw/zinc/49/62/10/461496210.db2.gz DCXVIEFZHRKIDX-BACDZXNISA-N 2 2 332.492 3.265 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000655848297 461496219 /nfs/dbraw/zinc/49/62/19/461496219.db2.gz DCXVIEFZHRKIDX-BACDZXNISA-N 2 2 332.492 3.265 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(OC)c1OC ZINC000655849898 461499401 /nfs/dbraw/zinc/49/94/01/461499401.db2.gz QOYSUZKQIRKKNZ-XIRDDKMYSA-N 2 2 348.487 3.380 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(OC)c1OC ZINC000655849898 461499404 /nfs/dbraw/zinc/49/94/04/461499404.db2.gz QOYSUZKQIRKKNZ-XIRDDKMYSA-N 2 2 348.487 3.380 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CS[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000638638903 461514175 /nfs/dbraw/zinc/51/41/75/461514175.db2.gz GYHDQYNLPYGIJK-RYRKJORJSA-N 2 2 334.529 3.370 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000647175412 461545254 /nfs/dbraw/zinc/54/52/54/461545254.db2.gz MZJSFHUVUQHTHH-UHFFFAOYSA-N 2 2 327.407 3.154 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1c(F)cccc1Cl ZINC000638724501 461549213 /nfs/dbraw/zinc/54/92/13/461549213.db2.gz OOGVBTMBYBOKOC-LBPRGKRZSA-N 2 2 328.859 3.365 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663346710 461577499 /nfs/dbraw/zinc/57/74/99/461577499.db2.gz DCIUCALOSABDKI-NRFANRHFSA-N 3 2 341.543 3.363 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663346710 461577507 /nfs/dbraw/zinc/57/75/07/461577507.db2.gz DCIUCALOSABDKI-NRFANRHFSA-N 3 2 341.543 3.363 20 0 EGADLP C[C@H]1CN(c2ccc(CNc3[nH+]ccc4c(N)cccc43)c[nH+]2)CCO1 ZINC000663391696 461612281 /nfs/dbraw/zinc/61/22/81/461612281.db2.gz KOGHAPNZHUDZBV-AWEZNQCLSA-N 2 2 349.438 3.049 20 0 EGADLP C[NH+](C)CCCC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000660157989 461613255 /nfs/dbraw/zinc/61/32/55/461613255.db2.gz MGNGLHJHJCRCMI-UHFFFAOYSA-N 2 2 346.338 3.459 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000631179787 461617188 /nfs/dbraw/zinc/61/71/88/461617188.db2.gz WGRZBXWEJHTUHU-HNNXBMFYSA-N 2 2 336.451 3.055 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631179787 461617199 /nfs/dbraw/zinc/61/71/99/461617199.db2.gz WGRZBXWEJHTUHU-HNNXBMFYSA-N 2 2 336.451 3.055 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000653297941 461617711 /nfs/dbraw/zinc/61/77/11/461617711.db2.gz JWXJTBNFFWHUDB-WBVHZDCISA-N 2 2 325.456 3.004 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)c1cccc2ccccc21 ZINC000653297941 461617721 /nfs/dbraw/zinc/61/77/21/461617721.db2.gz JWXJTBNFFWHUDB-WBVHZDCISA-N 2 2 325.456 3.004 20 0 EGADLP Clc1cccc(Cl)c1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000656201381 461645818 /nfs/dbraw/zinc/64/58/18/461645818.db2.gz WPDIGHNQXAJEKX-SJORKVTESA-N 2 2 343.298 3.283 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201758 461646456 /nfs/dbraw/zinc/64/64/56/461646456.db2.gz YJLCBFKZWDWCOT-OLZOCXBDSA-N 2 2 331.287 3.283 20 0 EGADLP c1coc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000643250397 461649780 /nfs/dbraw/zinc/64/97/80/461649780.db2.gz AXSLDKLMSGVRPX-LJQANCHMSA-N 2 2 326.440 3.101 20 0 EGADLP c1coc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000643250397 461649787 /nfs/dbraw/zinc/64/97/87/461649787.db2.gz AXSLDKLMSGVRPX-LJQANCHMSA-N 2 2 326.440 3.101 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467436 461658408 /nfs/dbraw/zinc/65/84/08/461658408.db2.gz FWRKBGYHQCOWLI-BEFAXECRSA-N 2 2 338.442 3.364 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)c(F)c1 ZINC000663467436 461658413 /nfs/dbraw/zinc/65/84/13/461658413.db2.gz FWRKBGYHQCOWLI-BEFAXECRSA-N 2 2 338.442 3.364 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418371 461668386 /nfs/dbraw/zinc/66/83/86/461668386.db2.gz JWZNZRATMZKQDY-AYOQOUSVSA-N 3 2 347.572 3.388 20 0 EGADLP Cn1c[nH+]cc1CCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000653495542 461672727 /nfs/dbraw/zinc/67/27/27/461672727.db2.gz SLJNSOOVFYMYDB-UHFFFAOYSA-N 2 2 347.409 3.226 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280986 461704233 /nfs/dbraw/zinc/70/42/33/461704233.db2.gz PEXDMABDAKXLDH-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280986 461704237 /nfs/dbraw/zinc/70/42/37/461704237.db2.gz PEXDMABDAKXLDH-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000647530706 461748947 /nfs/dbraw/zinc/74/89/47/461748947.db2.gz ASWDBXBSYSNOPP-INIZCTEOSA-N 2 2 338.879 3.211 20 0 EGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537867 461759908 /nfs/dbraw/zinc/75/99/08/461759908.db2.gz SMIYAUMPKSLDBY-RCBQFDQVSA-N 2 2 333.476 3.393 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544084 461760208 /nfs/dbraw/zinc/76/02/08/461760208.db2.gz WMXCDIFKNMJSFZ-JKSUJKDBSA-N 3 2 330.501 3.145 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544084 461760216 /nfs/dbraw/zinc/76/02/16/461760216.db2.gz WMXCDIFKNMJSFZ-JKSUJKDBSA-N 3 2 330.501 3.145 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c(SC)cc1OC ZINC000647553678 461763822 /nfs/dbraw/zinc/76/38/22/461763822.db2.gz HCLMTEMMVMSUSI-QGZVFWFLSA-N 2 2 336.501 3.190 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472390 461799393 /nfs/dbraw/zinc/79/93/93/461799393.db2.gz FMUZBUVFDLDOAB-IBGZPJMESA-N 2 2 331.504 3.200 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828217 461825714 /nfs/dbraw/zinc/82/57/14/461825714.db2.gz JDRAZKXIFHLKHT-MRXNPFEDSA-N 2 2 332.488 3.040 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828217 461825720 /nfs/dbraw/zinc/82/57/20/461825720.db2.gz JDRAZKXIFHLKHT-MRXNPFEDSA-N 2 2 332.488 3.040 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828217 461825724 /nfs/dbraw/zinc/82/57/24/461825724.db2.gz JDRAZKXIFHLKHT-MRXNPFEDSA-N 2 2 332.488 3.040 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663828217 461825732 /nfs/dbraw/zinc/82/57/32/461825732.db2.gz JDRAZKXIFHLKHT-MRXNPFEDSA-N 2 2 332.488 3.040 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)cs2)cc1 ZINC000666842286 461829344 /nfs/dbraw/zinc/82/93/44/461829344.db2.gz LDZBIOUKUJMKHC-SFHVURJKSA-N 2 2 331.485 3.298 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)ccc2n1C1CC1 ZINC000647796961 461839252 /nfs/dbraw/zinc/83/92/52/461839252.db2.gz SFFWGXLERZHSRU-IXDOHACOSA-N 3 2 338.499 3.411 20 0 EGADLP COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647883428 461870725 /nfs/dbraw/zinc/87/07/25/461870725.db2.gz PITIIVGTJZXGLK-WFASDCNBSA-N 2 2 339.277 3.204 20 0 EGADLP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647883428 461870734 /nfs/dbraw/zinc/87/07/34/461870734.db2.gz PITIIVGTJZXGLK-WFASDCNBSA-N 2 2 339.277 3.204 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@H]1[NH3+] ZINC000647936786 461893867 /nfs/dbraw/zinc/89/38/67/461893867.db2.gz LIKMKEGYFBNGKV-XJKCOSOUSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC[C@H]1[NH3+] ZINC000647936786 461893874 /nfs/dbraw/zinc/89/38/74/461893874.db2.gz LIKMKEGYFBNGKV-XJKCOSOUSA-N 2 2 332.423 3.304 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000639375451 461893983 /nfs/dbraw/zinc/89/39/83/461893983.db2.gz WBKKSQALOJLFEH-UHFFFAOYSA-N 2 2 336.549 3.440 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000647937899 461895738 /nfs/dbraw/zinc/89/57/38/461895738.db2.gz DNPGWEFAQYTGAK-RZQQEMMASA-N 2 2 339.483 3.076 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000647937899 461895742 /nfs/dbraw/zinc/89/57/42/461895742.db2.gz DNPGWEFAQYTGAK-RZQQEMMASA-N 2 2 339.483 3.076 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995131 461903521 /nfs/dbraw/zinc/90/35/21/461903521.db2.gz DQHVRSWCKMOHAD-RLLQIKCJSA-N 3 2 327.516 3.304 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995131 461903523 /nfs/dbraw/zinc/90/35/23/461903523.db2.gz DQHVRSWCKMOHAD-RLLQIKCJSA-N 3 2 327.516 3.304 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657231 461907586 /nfs/dbraw/zinc/90/75/86/461907586.db2.gz WTHYTVOQWAFOAM-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657231 461907591 /nfs/dbraw/zinc/90/75/91/461907591.db2.gz WTHYTVOQWAFOAM-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657231 461907596 /nfs/dbraw/zinc/90/75/96/461907596.db2.gz WTHYTVOQWAFOAM-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657231 461907604 /nfs/dbraw/zinc/90/76/04/461907604.db2.gz WTHYTVOQWAFOAM-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657614 461910018 /nfs/dbraw/zinc/91/00/18/461910018.db2.gz YLYHQTYYENRRGA-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657614 461910020 /nfs/dbraw/zinc/91/00/20/461910020.db2.gz YLYHQTYYENRRGA-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657614 461910024 /nfs/dbraw/zinc/91/00/24/461910024.db2.gz YLYHQTYYENRRGA-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657614 461910026 /nfs/dbraw/zinc/91/00/26/461910026.db2.gz YLYHQTYYENRRGA-TZIWHRDSSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457674 461933798 /nfs/dbraw/zinc/93/37/98/461933798.db2.gz VWXSXRWXPHKOMR-XWIAVFTESA-N 2 2 334.423 3.102 20 0 EGADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000639457674 461933804 /nfs/dbraw/zinc/93/38/04/461933804.db2.gz VWXSXRWXPHKOMR-XWIAVFTESA-N 2 2 334.423 3.102 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639489106 461950740 /nfs/dbraw/zinc/95/07/40/461950740.db2.gz NANUOQPUWDIZOT-HNNXBMFYSA-N 2 2 336.439 3.273 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639489106 461950744 /nfs/dbraw/zinc/95/07/44/461950744.db2.gz NANUOQPUWDIZOT-HNNXBMFYSA-N 2 2 336.439 3.273 20 0 EGADLP CC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000644546232 461979658 /nfs/dbraw/zinc/97/96/58/461979658.db2.gz CRKHIZPXYUQIAE-HXUWFJFHSA-N 2 2 335.451 3.459 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000644556011 461985131 /nfs/dbraw/zinc/98/51/31/461985131.db2.gz XUHUUEABDQKNLJ-JGGQBBKZSA-N 2 2 339.361 3.369 20 0 EGADLP Cc1cc(NC(=O)N2CCC(C)([NH3+])CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000667345688 462050539 /nfs/dbraw/zinc/05/05/39/462050539.db2.gz KKNFPUXLWBLNOL-HNNXBMFYSA-N 2 2 345.491 3.114 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657351272 462065984 /nfs/dbraw/zinc/06/59/84/462065984.db2.gz AETQOMKIHIIJPG-CQSZACIVSA-N 2 2 331.485 3.356 20 0 EGADLP FC(F)(F)c1csc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639702891 462067886 /nfs/dbraw/zinc/06/78/86/462067886.db2.gz GBGMIZYZYKZTAU-UHFFFAOYSA-N 2 2 342.390 3.269 20 0 EGADLP FC(F)(F)c1csc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639702891 462067889 /nfs/dbraw/zinc/06/78/89/462067889.db2.gz GBGMIZYZYKZTAU-UHFFFAOYSA-N 2 2 342.390 3.269 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1F ZINC000644783410 462076721 /nfs/dbraw/zinc/07/67/21/462076721.db2.gz KEICEXFMJXFPDQ-KRWDZBQOSA-N 2 2 330.447 3.143 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1F ZINC000644783410 462076730 /nfs/dbraw/zinc/07/67/30/462076730.db2.gz KEICEXFMJXFPDQ-KRWDZBQOSA-N 2 2 330.447 3.143 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)[C@H]1c1cccs1 ZINC000657374156 462079699 /nfs/dbraw/zinc/07/96/99/462079699.db2.gz FWQSGEOFDMWEFL-KDOFPFPSSA-N 2 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)[C@H]1c1cccs1 ZINC000657374156 462079701 /nfs/dbraw/zinc/07/97/01/462079701.db2.gz FWQSGEOFDMWEFL-KDOFPFPSSA-N 2 2 330.501 3.064 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1cccs1 ZINC000657374156 462079703 /nfs/dbraw/zinc/07/97/03/462079703.db2.gz FWQSGEOFDMWEFL-KDOFPFPSSA-N 3 2 330.501 3.064 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1c1cccs1 ZINC000657374156 462079704 /nfs/dbraw/zinc/07/97/04/462079704.db2.gz FWQSGEOFDMWEFL-KDOFPFPSSA-N 3 2 330.501 3.064 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657399226 462098401 /nfs/dbraw/zinc/09/84/01/462098401.db2.gz QYVMQXIXOFOZMP-LFUKPOHLSA-N 3 2 338.499 3.076 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1C ZINC000667473712 462101135 /nfs/dbraw/zinc/10/11/35/462101135.db2.gz SMOHVVUARQJLPL-UHFFFAOYSA-N 2 2 338.377 3.070 20 0 EGADLP COc1ccccc1[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)OC(C)C ZINC000657438989 462124832 /nfs/dbraw/zinc/12/48/32/462124832.db2.gz RMAPIFHTZVRMEG-GOSISDBHSA-N 2 2 329.444 3.094 20 0 EGADLP Brc1ccc(/C=C\C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657479098 462147832 /nfs/dbraw/zinc/14/78/32/462147832.db2.gz IEHKLCPMSJHUDT-IWQZZHSRSA-N 2 2 332.245 3.395 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)n1C ZINC000657484443 462151464 /nfs/dbraw/zinc/15/14/64/462151464.db2.gz YXWPJHJYQFEAAA-AWEZNQCLSA-N 2 2 338.224 3.407 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657507017 462160378 /nfs/dbraw/zinc/16/03/78/462160378.db2.gz ZIZKLMWWHWTTAB-VDGAXYAQSA-N 2 2 332.488 3.207 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657507017 462160387 /nfs/dbraw/zinc/16/03/87/462160387.db2.gz ZIZKLMWWHWTTAB-VDGAXYAQSA-N 2 2 332.488 3.207 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H](CNc4cccc(C)[nH+]4)C3)c2c1C ZINC000645148051 462202998 /nfs/dbraw/zinc/20/29/98/462202998.db2.gz VOEPUHYIHJXMSQ-HNNXBMFYSA-N 2 2 336.443 3.217 20 0 EGADLP COc1ccc(-c2cc(C[NH2+]Cc3c[nH+]ccc3N(C)C)on2)cc1 ZINC000657634524 462211741 /nfs/dbraw/zinc/21/17/41/462211741.db2.gz MBYUZILZHDSERZ-UHFFFAOYSA-N 2 2 338.411 3.101 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000657649863 462215770 /nfs/dbraw/zinc/21/57/70/462215770.db2.gz WVWMJYDUCYRFHE-SFHVURJKSA-N 2 2 336.439 3.287 20 0 EGADLP Clc1ccc(C[C@@]2([NH2+]CCCn3cc[nH+]c3)CCCOC2)cc1 ZINC000661429311 462244632 /nfs/dbraw/zinc/24/46/32/462244632.db2.gz YBZJUJQBUQDIJF-SFHVURJKSA-N 2 2 333.863 3.308 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750139 462250661 /nfs/dbraw/zinc/25/06/61/462250661.db2.gz BAHKAVXYGUMGGB-INIZCTEOSA-N 2 2 328.456 3.338 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000651643708 462287982 /nfs/dbraw/zinc/28/79/82/462287982.db2.gz MHBKPGYXNSSIOT-MRXNPFEDSA-N 2 2 336.451 3.293 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000651643708 462287984 /nfs/dbraw/zinc/28/79/84/462287984.db2.gz MHBKPGYXNSSIOT-MRXNPFEDSA-N 2 2 336.451 3.293 20 0 EGADLP C[C@H](CC[NH2+]Cc1cnnn1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000651729757 462318577 /nfs/dbraw/zinc/31/85/77/462318577.db2.gz QQMQXMCEMBXMKD-GOSISDBHSA-N 2 2 349.482 3.268 20 0 EGADLP C[C@H](CC[NH2+]Cc1cnnn1-c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000651729757 462318583 /nfs/dbraw/zinc/31/85/83/462318583.db2.gz QQMQXMCEMBXMKD-GOSISDBHSA-N 2 2 349.482 3.268 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000651810634 462345712 /nfs/dbraw/zinc/34/57/12/462345712.db2.gz ZJJWQXMPIUCDDR-KRWDZBQOSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000651810634 462345714 /nfs/dbraw/zinc/34/57/14/462345714.db2.gz ZJJWQXMPIUCDDR-KRWDZBQOSA-N 2 2 335.455 3.212 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644533 462346423 /nfs/dbraw/zinc/34/64/23/462346423.db2.gz UGJYJSMWJXFGBO-CQSZACIVSA-N 2 2 328.243 3.245 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661644533 462346428 /nfs/dbraw/zinc/34/64/28/462346428.db2.gz UGJYJSMWJXFGBO-CQSZACIVSA-N 2 2 328.243 3.245 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCCn2nccc21 ZINC000658022734 462349552 /nfs/dbraw/zinc/34/95/52/462349552.db2.gz DDHRUDLXBYWZFJ-OAHLLOKOSA-N 2 2 327.819 3.347 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237836 462363353 /nfs/dbraw/zinc/36/33/53/462363353.db2.gz KWCJPEDFUQNEIU-XKQJLSEDSA-N 2 2 344.421 3.425 20 0 EGADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000665234279 462363766 /nfs/dbraw/zinc/36/37/66/462363766.db2.gz AAGVWDMUVJKWEM-CABCVRRESA-N 2 2 336.361 3.078 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089858 462378448 /nfs/dbraw/zinc/37/84/48/462378448.db2.gz BJPGIHOEMDOIBR-NVXWUHKLSA-N 2 2 331.504 3.429 20 0 EGADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089858 462378453 /nfs/dbraw/zinc/37/84/53/462378453.db2.gz BJPGIHOEMDOIBR-NVXWUHKLSA-N 2 2 331.504 3.429 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](OC)C2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665275718 462379498 /nfs/dbraw/zinc/37/94/98/462379498.db2.gz PVCZYVUEIAJNNT-AABGKKOBSA-N 2 2 332.488 3.283 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658094668 462381616 /nfs/dbraw/zinc/38/16/16/462381616.db2.gz ZWKLZKYNGHNFSP-MRXNPFEDSA-N 2 2 337.458 3.396 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658094668 462381623 /nfs/dbraw/zinc/38/16/23/462381623.db2.gz ZWKLZKYNGHNFSP-MRXNPFEDSA-N 2 2 337.458 3.396 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000658189113 462424372 /nfs/dbraw/zinc/42/43/72/462424372.db2.gz WOEGETYHYVNUBU-UHFFFAOYSA-N 2 2 329.444 3.314 20 0 EGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1noc(-c2ccccc2)n1 ZINC000640530316 462430075 /nfs/dbraw/zinc/43/00/75/462430075.db2.gz BHLFLAYOIJWZCM-UHFFFAOYSA-N 2 2 328.460 3.435 20 0 EGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1noc(-c2ccccc2)n1 ZINC000640530316 462430078 /nfs/dbraw/zinc/43/00/78/462430078.db2.gz BHLFLAYOIJWZCM-UHFFFAOYSA-N 2 2 328.460 3.435 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658230295 462437113 /nfs/dbraw/zinc/43/71/13/462437113.db2.gz XRHIBMCANOXCCI-MSOLQXFVSA-N 2 2 335.536 3.164 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658230295 462437115 /nfs/dbraw/zinc/43/71/15/462437115.db2.gz XRHIBMCANOXCCI-MSOLQXFVSA-N 2 2 335.536 3.164 20 0 EGADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658292732 462460549 /nfs/dbraw/zinc/46/05/49/462460549.db2.gz AJNGKZKSPWYLQD-PCCBWWKXSA-N 2 2 328.500 3.474 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)c[nH+]1 ZINC000649287318 462466936 /nfs/dbraw/zinc/46/69/36/462466936.db2.gz NPWNVTLCGBLLCZ-HXUWFJFHSA-N 2 2 335.455 3.159 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)c[nH+]1 ZINC000649287318 462466939 /nfs/dbraw/zinc/46/69/39/462466939.db2.gz NPWNVTLCGBLLCZ-HXUWFJFHSA-N 2 2 335.455 3.159 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000649401586 462500184 /nfs/dbraw/zinc/50/01/84/462500184.db2.gz GWLISQDNLJBOHM-VQIMIIECSA-N 2 2 325.456 3.123 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462755 478394050 /nfs/dbraw/zinc/39/40/50/478394050.db2.gz DSMMIBPGCDIAAQ-FUHWJXTLSA-N 2 2 340.471 3.301 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462755 478394057 /nfs/dbraw/zinc/39/40/57/478394057.db2.gz DSMMIBPGCDIAAQ-FUHWJXTLSA-N 2 2 340.471 3.301 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000178664122 533932847 /nfs/dbraw/zinc/93/28/47/533932847.db2.gz PQVUQUNPDWAZFT-INIZCTEOSA-N 2 2 346.496 3.310 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(-c2ccncc2)c1)C[NH+]1CCOCC1 ZINC000153359445 534126401 /nfs/dbraw/zinc/12/64/01/534126401.db2.gz ZEHSOGDUQZWNTR-QZTJIDSGSA-N 2 2 339.483 3.368 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000132315385 534679137 /nfs/dbraw/zinc/67/91/37/534679137.db2.gz KCNUZBQJRHFDOX-UHFFFAOYSA-N 2 2 342.487 3.114 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000221155524 523827867 /nfs/dbraw/zinc/82/78/67/523827867.db2.gz RQDVLLQUQXVXFQ-GFCCVEGCSA-N 2 2 349.219 3.234 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000221155524 523827872 /nfs/dbraw/zinc/82/78/72/523827872.db2.gz RQDVLLQUQXVXFQ-GFCCVEGCSA-N 2 2 349.219 3.234 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915720 527836920 /nfs/dbraw/zinc/83/69/20/527836920.db2.gz LLDMOAAWCPOMTH-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915720 527836924 /nfs/dbraw/zinc/83/69/24/527836924.db2.gz LLDMOAAWCPOMTH-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915720 527836931 /nfs/dbraw/zinc/83/69/31/527836931.db2.gz LLDMOAAWCPOMTH-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C1 ZINC000173915720 527836934 /nfs/dbraw/zinc/83/69/34/527836934.db2.gz LLDMOAAWCPOMTH-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP CCCCn1c(SCCn2cc[nH+]c2)nnc1[C@H](CC)[NH+](C)C ZINC000159153899 529071597 /nfs/dbraw/zinc/07/15/97/529071597.db2.gz CPDXCUXFOPXFTE-AWEZNQCLSA-N 2 2 336.509 3.080 20 0 EGADLP CCCCCNC(=O)C1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000353443796 535045663 /nfs/dbraw/zinc/04/56/63/535045663.db2.gz AJYPUNHKLHRAET-UHFFFAOYSA-N 2 2 331.504 3.341 20 0 EGADLP CCc1cc(NCCC[NH+](C(C)C)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000348166182 536089677 /nfs/dbraw/zinc/08/96/77/536089677.db2.gz FZOGDHPODSXOEQ-UHFFFAOYSA-N 2 2 341.503 3.444 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)sc2c1 ZINC000187181244 537052725 /nfs/dbraw/zinc/05/27/25/537052725.db2.gz MEHWOHKNIWCTMN-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)sc2c1 ZINC000187181244 537052731 /nfs/dbraw/zinc/05/27/31/537052731.db2.gz MEHWOHKNIWCTMN-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)sc2c1 ZINC000187181244 537052733 /nfs/dbraw/zinc/05/27/33/537052733.db2.gz MEHWOHKNIWCTMN-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP COc1ccc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)sc2c1 ZINC000187181244 537052737 /nfs/dbraw/zinc/05/27/37/537052737.db2.gz MEHWOHKNIWCTMN-BBRMVZONSA-N 2 2 331.485 3.221 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccc(Cl)cc1 ZINC000080677021 546600351 /nfs/dbraw/zinc/60/03/51/546600351.db2.gz QDJRZQKNBWJVRD-HNNXBMFYSA-N 2 2 342.834 3.031 20 0 EGADLP CN(CCCC[NH+](C)C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000081791418 546611103 /nfs/dbraw/zinc/61/11/03/546611103.db2.gz SMQRINNYRSAEQL-UHFFFAOYSA-N 2 2 327.428 3.288 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000090168355 546654921 /nfs/dbraw/zinc/65/49/21/546654921.db2.gz DKDRZBNGZJJFOX-UXHICEINSA-N 2 2 346.515 3.215 20 0 EGADLP CC1(C)C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)C[N@H+]1Cc1ccccc1 ZINC000090168355 546654924 /nfs/dbraw/zinc/65/49/24/546654924.db2.gz DKDRZBNGZJJFOX-UXHICEINSA-N 2 2 346.515 3.215 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000090407529 546656136 /nfs/dbraw/zinc/65/61/36/546656136.db2.gz JBEKEZSXIIUHRI-YJBOKZPZSA-N 2 2 344.528 3.091 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCSc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153326870 546878531 /nfs/dbraw/zinc/87/85/31/546878531.db2.gz WEDWOERAHQQXKL-BBRMVZONSA-N 2 2 340.920 3.435 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)CC1 ZINC000163687978 546973541 /nfs/dbraw/zinc/97/35/41/546973541.db2.gz MYBWKVGRTZWFFD-LSDHHAIUSA-N 2 2 347.528 3.489 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184534919 547110601 /nfs/dbraw/zinc/11/06/01/547110601.db2.gz VIVDDIQAEYKTBT-HXUWFJFHSA-N 2 2 328.504 3.229 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184534919 547110604 /nfs/dbraw/zinc/11/06/04/547110604.db2.gz VIVDDIQAEYKTBT-HXUWFJFHSA-N 2 2 328.504 3.229 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784452 547457787 /nfs/dbraw/zinc/45/77/87/547457787.db2.gz WZMHDVWKMZGUPA-HOCLYGCPSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784452 547457790 /nfs/dbraw/zinc/45/77/90/547457790.db2.gz WZMHDVWKMZGUPA-HOCLYGCPSA-N 2 2 334.410 3.108 20 0 EGADLP CC[C@@H](Nc1cc(C)[nH+]c(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359732263 547754358 /nfs/dbraw/zinc/75/43/58/547754358.db2.gz SJLDDPCHABVBEQ-MOPGFXCFSA-N 2 2 340.471 3.185 20 0 EGADLP CC[C@@H](Nc1cc(C)[nH+]c(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359732263 547754361 /nfs/dbraw/zinc/75/43/61/547754361.db2.gz SJLDDPCHABVBEQ-MOPGFXCFSA-N 2 2 340.471 3.185 20 0 EGADLP O[C@@]1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000361889842 547766563 /nfs/dbraw/zinc/76/65/63/547766563.db2.gz BXMKXLVPLGKIGJ-LEWJYISDSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@@]1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000361889842 547766568 /nfs/dbraw/zinc/76/65/68/547766568.db2.gz BXMKXLVPLGKIGJ-LEWJYISDSA-N 2 2 340.442 3.040 20 0 EGADLP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947163 547885834 /nfs/dbraw/zinc/88/58/34/547885834.db2.gz ZNWMOHPHRILERY-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947163 547885837 /nfs/dbraw/zinc/88/58/37/547885837.db2.gz ZNWMOHPHRILERY-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425947163 547885841 /nfs/dbraw/zinc/88/58/41/547885841.db2.gz ZNWMOHPHRILERY-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425947163 547885844 /nfs/dbraw/zinc/88/58/44/547885844.db2.gz ZNWMOHPHRILERY-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)s2)cn1 ZINC000670263477 548192844 /nfs/dbraw/zinc/19/28/44/548192844.db2.gz QFQDUZYHPCRXOA-OAHLLOKOSA-N 2 2 327.457 3.182 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)s2)cn1 ZINC000670263477 548192847 /nfs/dbraw/zinc/19/28/47/548192847.db2.gz QFQDUZYHPCRXOA-OAHLLOKOSA-N 2 2 327.457 3.182 20 0 EGADLP COc1ccc(-c2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)on2)cc1 ZINC000671724839 548344392 /nfs/dbraw/zinc/34/43/92/548344392.db2.gz AONVMPFTOKPPAZ-SJPCQFCGSA-N 2 2 341.455 3.407 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)on2)cc1 ZINC000671724839 548344398 /nfs/dbraw/zinc/34/43/98/548344398.db2.gz AONVMPFTOKPPAZ-SJPCQFCGSA-N 2 2 341.455 3.407 20 0 EGADLP COc1ccc(-c2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)on2)cc1 ZINC000671724839 548344404 /nfs/dbraw/zinc/34/44/04/548344404.db2.gz AONVMPFTOKPPAZ-SJPCQFCGSA-N 2 2 341.455 3.407 20 0 EGADLP COc1ccc(-c2cc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)on2)cc1 ZINC000671724839 548344408 /nfs/dbraw/zinc/34/44/08/548344408.db2.gz AONVMPFTOKPPAZ-SJPCQFCGSA-N 2 2 341.455 3.407 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC4(CCC4)CC3)c2cc1C ZINC000671729696 548345816 /nfs/dbraw/zinc/34/58/16/548345816.db2.gz WIGZOMKFYRUIEH-QGZVFWFLSA-N 2 2 327.472 3.280 20 0 EGADLP CC(C)Oc1ncccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000675751076 548974099 /nfs/dbraw/zinc/97/40/99/548974099.db2.gz VICWDQYEPUAXMJ-UHFFFAOYSA-N 2 2 340.471 3.018 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000678134255 549405226 /nfs/dbraw/zinc/40/52/26/549405226.db2.gz TYXXVUAVENNZIO-UHFFFAOYSA-N 3 2 345.531 3.077 20 0 EGADLP C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000678153119 549412007 /nfs/dbraw/zinc/41/20/07/549412007.db2.gz BZHJVIVRUFAENV-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000678153119 549412009 /nfs/dbraw/zinc/41/20/09/549412009.db2.gz BZHJVIVRUFAENV-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP C[NH+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000678153119 549412011 /nfs/dbraw/zinc/41/20/11/549412011.db2.gz BZHJVIVRUFAENV-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP C[NH+](Cc1cnn(Cc2ccccc2Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000678153119 549412012 /nfs/dbraw/zinc/41/20/12/549412012.db2.gz BZHJVIVRUFAENV-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678226203 549430713 /nfs/dbraw/zinc/43/07/13/549430713.db2.gz QUCKXKPQWLQTAP-UHFFFAOYSA-N 3 2 345.531 3.124 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235610 549435776 /nfs/dbraw/zinc/43/57/76/549435776.db2.gz LOJXYRUVKIEHDV-MRXNPFEDSA-N 2 2 328.435 3.460 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235610 549435779 /nfs/dbraw/zinc/43/57/79/549435779.db2.gz LOJXYRUVKIEHDV-MRXNPFEDSA-N 2 2 328.435 3.460 20 0 EGADLP CCOc1c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)nn1CC(C)C ZINC000678234218 549436215 /nfs/dbraw/zinc/43/62/15/549436215.db2.gz AJICKXQUECMSSX-KRWDZBQOSA-N 2 2 345.491 3.280 20 0 EGADLP CCOc1c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(C)nn1CC(C)C ZINC000678234218 549436216 /nfs/dbraw/zinc/43/62/16/549436216.db2.gz AJICKXQUECMSSX-KRWDZBQOSA-N 2 2 345.491 3.280 20 0 EGADLP Cc1nc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)s1 ZINC000678599189 549528013 /nfs/dbraw/zinc/52/80/13/549528013.db2.gz WTLPPUPDXJYOIC-AFAVFJNCSA-N 2 2 337.533 3.178 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781849 549561203 /nfs/dbraw/zinc/56/12/03/549561203.db2.gz BSCZWTCTXDTYGJ-PXNSSMCTSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781849 549561207 /nfs/dbraw/zinc/56/12/07/549561207.db2.gz BSCZWTCTXDTYGJ-PXNSSMCTSA-N 2 2 348.437 3.498 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000680253615 549838842 /nfs/dbraw/zinc/83/88/42/549838842.db2.gz IVSJGUJWYNFMAY-UHFFFAOYSA-N 2 2 338.455 3.386 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H](c3ccccc3)c3cncnc3)[nH+]c12 ZINC000680465478 549868460 /nfs/dbraw/zinc/86/84/60/549868460.db2.gz KSMCZKZLKXAWJA-HXUWFJFHSA-N 2 2 343.434 3.354 20 0 EGADLP c1cn(CCCn2c3ccccc3[nH+]c2NCc2ccncc2)c[nH+]1 ZINC000680961554 549933845 /nfs/dbraw/zinc/93/38/45/549933845.db2.gz KWFUDAOZTWJBGQ-UHFFFAOYSA-N 2 2 332.411 3.330 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000682780883 550144018 /nfs/dbraw/zinc/14/40/18/550144018.db2.gz OYQORGBVKLYGFI-GBESFXJTSA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000682780883 550144020 /nfs/dbraw/zinc/14/40/20/550144020.db2.gz OYQORGBVKLYGFI-GBESFXJTSA-N 2 2 325.456 3.373 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000682907959 550162308 /nfs/dbraw/zinc/16/23/08/550162308.db2.gz ZPLCSGAMMZKZOV-DYVFJYSZSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000682907959 550162310 /nfs/dbraw/zinc/16/23/10/550162310.db2.gz ZPLCSGAMMZKZOV-DYVFJYSZSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684020236 550282781 /nfs/dbraw/zinc/28/27/81/550282781.db2.gz GNKGMKUFALMCHP-QZTJIDSGSA-N 2 2 340.515 3.158 20 0 EGADLP Cc1ccc(CCC[NH2+]CCOc2ccc(C(F)(F)F)cn2)c[nH+]1 ZINC000684384992 550322811 /nfs/dbraw/zinc/32/28/11/550322811.db2.gz SIAPMMSYZXYZPJ-UHFFFAOYSA-N 2 2 339.361 3.405 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCc4cccnc43)[nH+]c2)C1 ZINC000684962102 550389276 /nfs/dbraw/zinc/38/92/76/550389276.db2.gz XIZYRRLEKLRISV-ZWKOTPCHSA-N 2 2 337.471 3.106 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000731865492 575213396 /nfs/dbraw/zinc/21/33/96/575213396.db2.gz LMSRDEMCYJGNAP-IBGZPJMESA-N 2 2 331.504 3.014 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000731865492 575213397 /nfs/dbraw/zinc/21/33/97/575213397.db2.gz LMSRDEMCYJGNAP-IBGZPJMESA-N 2 2 331.504 3.014 20 0 EGADLP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000731865492 575213400 /nfs/dbraw/zinc/21/34/00/575213400.db2.gz LMSRDEMCYJGNAP-IBGZPJMESA-N 2 2 331.504 3.014 20 0 EGADLP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000731865492 575213403 /nfs/dbraw/zinc/21/34/03/575213403.db2.gz LMSRDEMCYJGNAP-IBGZPJMESA-N 2 2 331.504 3.014 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H](Nc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000733188137 575318396 /nfs/dbraw/zinc/31/83/96/575318396.db2.gz ZBJJTILNCWWURR-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H](Nc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000733188137 575318398 /nfs/dbraw/zinc/31/83/98/575318398.db2.gz ZBJJTILNCWWURR-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP Cc1ccc([C@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCC2)o1 ZINC000733190568 575319086 /nfs/dbraw/zinc/31/90/86/575319086.db2.gz JZVVTGBQLNDSLH-INIZCTEOSA-N 2 2 341.459 3.227 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2occc2Br)cn1 ZINC000735324706 575643980 /nfs/dbraw/zinc/64/39/80/575643980.db2.gz TUXCTAOXLBUSDC-UHFFFAOYSA-N 2 2 347.216 3.221 20 0 EGADLP C[C@H](CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+]1CCCCC1 ZINC000736973797 576068322 /nfs/dbraw/zinc/06/83/22/576068322.db2.gz RRJCAAMBJIRVAT-OAHLLOKOSA-N 2 2 341.459 3.083 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882095 576633112 /nfs/dbraw/zinc/63/31/12/576633112.db2.gz GEZONRPWZAKNQG-WFASDCNBSA-N 2 2 349.910 3.235 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882095 576633115 /nfs/dbraw/zinc/63/31/15/576633115.db2.gz GEZONRPWZAKNQG-WFASDCNBSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882095 576633116 /nfs/dbraw/zinc/63/31/16/576633116.db2.gz GEZONRPWZAKNQG-WFASDCNBSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@@H]1C ZINC000740882095 576633118 /nfs/dbraw/zinc/63/31/18/576633118.db2.gz GEZONRPWZAKNQG-WFASDCNBSA-N 2 2 349.910 3.235 20 0 EGADLP CCCCCC[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000742075328 576746965 /nfs/dbraw/zinc/74/69/65/576746965.db2.gz VYFVFJTZSUARGQ-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP CCCCCC[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000742075328 576746966 /nfs/dbraw/zinc/74/69/66/576746966.db2.gz VYFVFJTZSUARGQ-QGZVFWFLSA-N 2 2 325.541 3.077 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000743261170 576804568 /nfs/dbraw/zinc/80/45/68/576804568.db2.gz KMWTZFBDDKJEFN-NRFANRHFSA-N 2 2 338.495 3.455 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000743261170 576804569 /nfs/dbraw/zinc/80/45/69/576804569.db2.gz KMWTZFBDDKJEFN-NRFANRHFSA-N 2 2 338.495 3.455 20 0 EGADLP CC[NH+]1CCC([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000743636852 576813822 /nfs/dbraw/zinc/81/38/22/576813822.db2.gz HLLRYSAVYPZCKP-UHFFFAOYSA-N 2 2 330.259 3.006 20 0 EGADLP COc1ccc(OC)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000030901886 1291357392 /nfs/dbraw/zinc/35/73/92/1291357392.db2.gz CSQUUBAYHWUJBE-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)c1Cl ZINC000069160382 1292233527 /nfs/dbraw/zinc/23/35/27/1292233527.db2.gz XIYOMDXQBHGKSM-HNNXBMFYSA-N 2 2 326.916 3.467 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1Cl ZINC000069160382 1292233536 /nfs/dbraw/zinc/23/35/36/1292233536.db2.gz XIYOMDXQBHGKSM-HNNXBMFYSA-N 2 2 326.916 3.467 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000071895961 1292270750 /nfs/dbraw/zinc/27/07/50/1292270750.db2.gz SIOAKZACGXREPT-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000071895961 1292270759 /nfs/dbraw/zinc/27/07/59/1292270759.db2.gz SIOAKZACGXREPT-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000072823390 1292292132 /nfs/dbraw/zinc/29/21/32/1292292132.db2.gz FXJLTNYTULZNBZ-MRXNPFEDSA-N 2 2 328.456 3.265 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000072823390 1292292137 /nfs/dbraw/zinc/29/21/37/1292292137.db2.gz FXJLTNYTULZNBZ-MRXNPFEDSA-N 2 2 328.456 3.265 20 0 EGADLP CC(C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685375 1292356110 /nfs/dbraw/zinc/35/61/10/1292356110.db2.gz MHGFOIYNVMEQOX-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP CC(C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685375 1292356120 /nfs/dbraw/zinc/35/61/20/1292356120.db2.gz MHGFOIYNVMEQOX-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C)c1nc(N2CCCC3(CC[NH+](C)CC3)C2)[nH+]c2ccccc21 ZINC000828077805 1292427516 /nfs/dbraw/zinc/42/75/16/1292427516.db2.gz UWJRKCQMAKAARR-UHFFFAOYSA-N 2 2 339.487 3.008 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc([Si](C)(C)C)cc2)s1 ZINC000830397824 1292716364 /nfs/dbraw/zinc/71/63/64/1292716364.db2.gz XAOUQYSZHWBBKY-UHFFFAOYSA-N 2 2 333.577 3.040 20 0 EGADLP Cc1nc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cs1 ZINC000105462970 1293038873 /nfs/dbraw/zinc/03/88/73/1293038873.db2.gz PBJCKYIUKRQOQB-CYBMUJFWSA-N 2 2 348.491 3.193 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)[C@@H](C)C1 ZINC000834841553 1293156454 /nfs/dbraw/zinc/15/64/54/1293156454.db2.gz WVDSMRHSMPWJJF-XJKSGUPXSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cnc2Cl)[C@@H](C)C1 ZINC000834841553 1293156458 /nfs/dbraw/zinc/15/64/58/1293156458.db2.gz WVDSMRHSMPWJJF-XJKSGUPXSA-N 2 2 343.874 3.101 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000118315994 1293234014 /nfs/dbraw/zinc/23/40/14/1293234014.db2.gz INGVMOHUBCSGQV-UHFFFAOYSA-N 2 2 329.448 3.026 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000118315994 1293234020 /nfs/dbraw/zinc/23/40/20/1293234020.db2.gz INGVMOHUBCSGQV-UHFFFAOYSA-N 2 2 329.448 3.026 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000120791643 1293339049 /nfs/dbraw/zinc/33/90/49/1293339049.db2.gz GUHVMJBWARBRJH-KRWDZBQOSA-N 2 2 346.906 3.325 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)C1 ZINC000120791643 1293339058 /nfs/dbraw/zinc/33/90/58/1293339058.db2.gz GUHVMJBWARBRJH-KRWDZBQOSA-N 2 2 346.906 3.325 20 0 EGADLP Cc1ccsc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000121681545 1293384955 /nfs/dbraw/zinc/38/49/55/1293384955.db2.gz VIYGWTUVCGKCJF-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000151123780 1293909063 /nfs/dbraw/zinc/90/90/63/1293909063.db2.gz ZTBOXUDWRSNLJA-GOSISDBHSA-N 3 2 344.547 3.043 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000151123780 1293909069 /nfs/dbraw/zinc/90/90/69/1293909069.db2.gz ZTBOXUDWRSNLJA-GOSISDBHSA-N 3 2 344.547 3.043 20 0 EGADLP CC(C)C[C@@H](CCO)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000154665388 1294065736 /nfs/dbraw/zinc/06/57/36/1294065736.db2.gz CGLFRCKHSDTJSA-GOSISDBHSA-N 2 2 347.547 3.356 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000156039568 1294124204 /nfs/dbraw/zinc/12/42/04/1294124204.db2.gz JTAIZTROJPKTTM-UHFFFAOYSA-N 2 2 334.357 3.045 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157674231 1294184612 /nfs/dbraw/zinc/18/46/12/1294184612.db2.gz UKWYRQDTWZLZHP-LIRRHRJNSA-N 2 2 325.387 3.396 20 0 EGADLP Cc1ccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000161601855 1294296593 /nfs/dbraw/zinc/29/65/93/1294296593.db2.gz OBJHGAKNOOEAQD-UHFFFAOYSA-N 2 2 338.499 3.257 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177552006 1294676925 /nfs/dbraw/zinc/67/69/25/1294676925.db2.gz RGLFHVIVOZCYHN-MRXNPFEDSA-N 2 2 339.524 3.098 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000182724994 1295070852 /nfs/dbraw/zinc/07/08/52/1295070852.db2.gz ACHPJKOEAMNLLC-QGZVFWFLSA-N 2 2 339.524 3.242 20 0 EGADLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]([NH3+])c3ccccc3)n2)CC1 ZINC000236641037 1296193600 /nfs/dbraw/zinc/19/36/00/1296193600.db2.gz WLVXWTKVTGJONI-MRXNPFEDSA-N 2 2 344.484 3.014 20 0 EGADLP c1nn(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230544 1296343753 /nfs/dbraw/zinc/34/37/53/1296343753.db2.gz CEDINSGQMQDOPT-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230544 1296343770 /nfs/dbraw/zinc/34/37/70/1296343770.db2.gz CEDINSGQMQDOPT-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230544 1296343785 /nfs/dbraw/zinc/34/37/85/1296343785.db2.gz CEDINSGQMQDOPT-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230544 1296343800 /nfs/dbraw/zinc/34/38/00/1296343800.db2.gz CEDINSGQMQDOPT-GHTZIAJQSA-N 2 2 336.483 3.456 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2F)[C@@H](C)C1 ZINC000872035685 1296685622 /nfs/dbraw/zinc/68/56/22/1296685622.db2.gz PXJQLOSUCUYVEM-ZOBUZTSGSA-N 2 2 338.467 3.319 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2F)[C@@H](C)C1 ZINC000872035685 1296685634 /nfs/dbraw/zinc/68/56/34/1296685634.db2.gz PXJQLOSUCUYVEM-ZOBUZTSGSA-N 2 2 338.467 3.319 20 0 EGADLP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nonc2C)ccc1OC ZINC000872137105 1296760874 /nfs/dbraw/zinc/76/08/74/1296760874.db2.gz QQYBLWYNEYJLGO-CYBMUJFWSA-N 2 2 332.448 3.079 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000305113260 1296980556 /nfs/dbraw/zinc/98/05/56/1296980556.db2.gz DSQOIYUJYIZAHR-ZWKOTPCHSA-N 2 2 340.870 3.337 20 0 EGADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000321500062 1297178697 /nfs/dbraw/zinc/17/86/97/1297178697.db2.gz USDQAZPTAGFHSA-OAHLLOKOSA-N 2 2 327.350 3.005 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373114611 1297514709 /nfs/dbraw/zinc/51/47/09/1297514709.db2.gz BMKVWVKDCAIAHF-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373114611 1297514712 /nfs/dbraw/zinc/51/47/12/1297514712.db2.gz BMKVWVKDCAIAHF-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000373108106 1297514775 /nfs/dbraw/zinc/51/47/75/1297514775.db2.gz ZZDFYBGFNLOQMB-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000373108106 1297514780 /nfs/dbraw/zinc/51/47/80/1297514780.db2.gz ZZDFYBGFNLOQMB-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000378911262 1297527846 /nfs/dbraw/zinc/52/78/46/1297527846.db2.gz IYPPOUGAFOUZDP-WIYYLYMNSA-N 2 2 338.451 3.432 20 0 EGADLP c1ccc(Oc2cccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000378911262 1297527855 /nfs/dbraw/zinc/52/78/55/1297527855.db2.gz IYPPOUGAFOUZDP-WIYYLYMNSA-N 2 2 338.451 3.432 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444804520 1297861568 /nfs/dbraw/zinc/86/15/68/1297861568.db2.gz PPAATNVYDOXFKK-WBVHZDCISA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444804520 1297861583 /nfs/dbraw/zinc/86/15/83/1297861583.db2.gz PPAATNVYDOXFKK-WBVHZDCISA-N 2 2 340.471 3.189 20 0 EGADLP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073077 1298174503 /nfs/dbraw/zinc/17/45/03/1298174503.db2.gz TXKAAMMGOPWZPO-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000700073077 1298174505 /nfs/dbraw/zinc/17/45/05/1298174505.db2.gz TXKAAMMGOPWZPO-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000708548794 1298242887 /nfs/dbraw/zinc/24/28/87/1298242887.db2.gz CKTOCMZWNQLYHG-WMLDXEAASA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000708548794 1298242897 /nfs/dbraw/zinc/24/28/97/1298242897.db2.gz CKTOCMZWNQLYHG-WMLDXEAASA-N 2 2 346.906 3.240 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C ZINC000711727386 1298262560 /nfs/dbraw/zinc/26/25/60/1298262560.db2.gz WDFNSBXODZPSHE-JOCHJYFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C ZINC000711727386 1298262566 /nfs/dbraw/zinc/26/25/66/1298262566.db2.gz WDFNSBXODZPSHE-JOCHJYFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000711727386 1298262573 /nfs/dbraw/zinc/26/25/73/1298262573.db2.gz WDFNSBXODZPSHE-JOCHJYFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000711727386 1298262579 /nfs/dbraw/zinc/26/25/79/1298262579.db2.gz WDFNSBXODZPSHE-JOCHJYFZSA-N 2 2 338.495 3.372 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000712452248 1298265766 /nfs/dbraw/zinc/26/57/66/1298265766.db2.gz ODVLBPSZQUULEY-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000712452248 1298265773 /nfs/dbraw/zinc/26/57/73/1298265773.db2.gz ODVLBPSZQUULEY-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCS(=O)CC2)CCCCC1 ZINC000714239208 1298273752 /nfs/dbraw/zinc/27/37/52/1298273752.db2.gz QTSJOWGMIKNIGP-UHFFFAOYSA-N 2 2 348.556 3.322 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCS(=O)CC2)CCCCC1 ZINC000714239208 1298273763 /nfs/dbraw/zinc/27/37/63/1298273763.db2.gz QTSJOWGMIKNIGP-UHFFFAOYSA-N 2 2 348.556 3.322 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000724024044 1298343174 /nfs/dbraw/zinc/34/31/74/1298343174.db2.gz BONDPJXETLPDGM-DLBZAZTESA-N 2 2 339.524 3.001 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000876927324 1299070430 /nfs/dbraw/zinc/07/04/30/1299070430.db2.gz YTNUBBXZOSYACI-HNNXBMFYSA-N 2 2 337.345 3.033 20 0 EGADLP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC000876930671 1299071895 /nfs/dbraw/zinc/07/18/95/1299071895.db2.gz ZFYYUMPEWGCNNE-IAGOWNOFSA-N 2 2 331.504 3.478 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877026807 1299119885 /nfs/dbraw/zinc/11/98/85/1299119885.db2.gz HPKFDNHPTAIXEM-ULQDDVLXSA-N 2 2 339.524 3.096 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877026807 1299119889 /nfs/dbraw/zinc/11/98/89/1299119889.db2.gz HPKFDNHPTAIXEM-ULQDDVLXSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073724 1299145774 /nfs/dbraw/zinc/14/57/74/1299145774.db2.gz RDNIPXUDYRWLNJ-RHSMWYFYSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073724 1299145777 /nfs/dbraw/zinc/14/57/77/1299145777.db2.gz RDNIPXUDYRWLNJ-RHSMWYFYSA-N 2 2 330.863 3.130 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000749843402 1299285769 /nfs/dbraw/zinc/28/57/69/1299285769.db2.gz BZVLCTVUJGETRY-DZGCQCFKSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000749843402 1299285777 /nfs/dbraw/zinc/28/57/77/1299285777.db2.gz BZVLCTVUJGETRY-DZGCQCFKSA-N 2 2 339.361 3.342 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000755038714 1300271814 /nfs/dbraw/zinc/27/18/14/1300271814.db2.gz BXOFDEATCKFIAJ-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000755038714 1300271823 /nfs/dbraw/zinc/27/18/23/1300271823.db2.gz BXOFDEATCKFIAJ-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755206773 1300299855 /nfs/dbraw/zinc/29/98/55/1300299855.db2.gz MTBIMSGDQNMNMA-RBUKOAKNSA-N 2 2 335.536 3.138 20 0 EGADLP CC(C)=C(C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755206773 1300299861 /nfs/dbraw/zinc/29/98/61/1300299861.db2.gz MTBIMSGDQNMNMA-RBUKOAKNSA-N 2 2 335.536 3.138 20 0 EGADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215969 1300300210 /nfs/dbraw/zinc/30/02/10/1300300210.db2.gz YZJZSXFPICICKB-KTEGJIGUSA-N 2 2 347.547 3.138 20 0 EGADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215969 1300300222 /nfs/dbraw/zinc/30/02/22/1300300222.db2.gz YZJZSXFPICICKB-KTEGJIGUSA-N 2 2 347.547 3.138 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000756105733 1300439712 /nfs/dbraw/zinc/43/97/12/1300439712.db2.gz MGBRQEVXTNOPEY-UHFFFAOYSA-N 2 2 334.464 3.003 20 0 EGADLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000880472284 1301135091 /nfs/dbraw/zinc/13/50/91/1301135091.db2.gz IOXMOJGXJHDVDU-MRXNPFEDSA-N 2 2 342.405 3.299 20 0 EGADLP c1cn(C[C@H]([NH2+]Cc2cccc3c2OCCO3)c2ccccc2)c[nH+]1 ZINC000880571955 1301165858 /nfs/dbraw/zinc/16/58/58/1301165858.db2.gz WXIOFOZSIWYQFX-SFHVURJKSA-N 2 2 335.407 3.185 20 0 EGADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571895 1301165925 /nfs/dbraw/zinc/16/59/25/1301165925.db2.gz VCJBAAVEVKFWBL-MJGOQNOKSA-N 2 2 342.487 3.107 20 0 EGADLP COc1cccc(C[NH+]2CCC(Nc3nc(C)[nH+]c(C)c3C)CC2)c1 ZINC000761883422 1301560979 /nfs/dbraw/zinc/56/09/79/1301560979.db2.gz FSAICHWOPQAGEG-UHFFFAOYSA-N 2 2 340.471 3.487 20 0 EGADLP C[NH+](C)[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000764507207 1302078200 /nfs/dbraw/zinc/07/82/00/1302078200.db2.gz IQUAZZGVVWTNCA-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000765836659 1302337166 /nfs/dbraw/zinc/33/71/66/1302337166.db2.gz FJHXLQOYPSPDGY-QGZVFWFLSA-N 2 2 349.544 3.219 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883397589 1302431728 /nfs/dbraw/zinc/43/17/28/1302431728.db2.gz QFSNQGSCWQEJCV-IBGZPJMESA-N 2 2 335.455 3.265 20 0 EGADLP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000884195248 1302770006 /nfs/dbraw/zinc/77/00/06/1302770006.db2.gz HGIPBXWOWINZFG-SFHVURJKSA-N 2 2 340.471 3.459 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768233088 1302860090 /nfs/dbraw/zinc/86/00/90/1302860090.db2.gz JXDQYNWUALZVCL-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768233088 1302860104 /nfs/dbraw/zinc/86/01/04/1302860104.db2.gz JXDQYNWUALZVCL-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770410104 1303263962 /nfs/dbraw/zinc/26/39/62/1303263962.db2.gz YUJPWMXEVVHUBQ-UHFFFAOYSA-N 2 2 336.439 3.105 20 0 EGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770410104 1303263965 /nfs/dbraw/zinc/26/39/65/1303263965.db2.gz YUJPWMXEVVHUBQ-UHFFFAOYSA-N 2 2 336.439 3.105 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388783 1303397386 /nfs/dbraw/zinc/39/73/86/1303397386.db2.gz JYXVLPIPCRRAPL-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)nc1 ZINC000771388783 1303397390 /nfs/dbraw/zinc/39/73/90/1303397390.db2.gz JYXVLPIPCRRAPL-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c(F)c1 ZINC000886661149 1303542964 /nfs/dbraw/zinc/54/29/64/1303542964.db2.gz NRUJNTOCLVHRJQ-UHFFFAOYSA-N 2 2 345.418 3.332 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)[nH+]c1C ZINC000886671634 1303549830 /nfs/dbraw/zinc/54/98/30/1303549830.db2.gz ABDGDIAWFDJHBD-UHFFFAOYSA-N 2 2 344.503 3.213 20 0 EGADLP CCc1ccccc1NC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886671801 1303550028 /nfs/dbraw/zinc/55/00/28/1303550028.db2.gz DFBZYJONKNKSGZ-UHFFFAOYSA-N 2 2 340.471 3.407 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867328 1303620055 /nfs/dbraw/zinc/62/00/55/1303620055.db2.gz CNANBYIYBCBOAR-BEFAXECRSA-N 2 2 349.906 3.441 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867328 1303620061 /nfs/dbraw/zinc/62/00/61/1303620061.db2.gz CNANBYIYBCBOAR-BEFAXECRSA-N 2 2 349.906 3.441 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000773082849 1303621251 /nfs/dbraw/zinc/62/12/51/1303621251.db2.gz XBBWKBHITFRYPE-SFHVURJKSA-N 2 2 343.515 3.413 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000887130894 1303685160 /nfs/dbraw/zinc/68/51/60/1303685160.db2.gz MUBYPHJRFFCZJM-INIZCTEOSA-N 2 2 334.423 3.447 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000887130894 1303685165 /nfs/dbraw/zinc/68/51/65/1303685165.db2.gz MUBYPHJRFFCZJM-INIZCTEOSA-N 2 2 334.423 3.447 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000775623280 1303996856 /nfs/dbraw/zinc/99/68/56/1303996856.db2.gz OVPDGUIMWNHVTH-VQHPVUNQSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000775623280 1303996861 /nfs/dbraw/zinc/99/68/61/1303996861.db2.gz OVPDGUIMWNHVTH-VQHPVUNQSA-N 2 2 339.524 3.285 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000888577442 1304203961 /nfs/dbraw/zinc/20/39/61/1304203961.db2.gz GAOYBAPBSQVCCX-DLBZAZTESA-N 2 2 328.460 3.027 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000888577442 1304203965 /nfs/dbraw/zinc/20/39/65/1304203965.db2.gz GAOYBAPBSQVCCX-DLBZAZTESA-N 2 2 328.460 3.027 20 0 EGADLP CCc1noc(C)c1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000777256709 1304276554 /nfs/dbraw/zinc/27/65/54/1304276554.db2.gz RAGZXOWTOMTRSQ-CZUORRHYSA-N 2 2 343.475 3.254 20 0 EGADLP C[N@H+](Cc1ccc(CF)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778497923 1304455658 /nfs/dbraw/zinc/45/56/58/1304455658.db2.gz MBPZBTWNYHNGBB-OAQYLSRUSA-N 2 2 342.458 3.225 20 0 EGADLP C[N@@H+](Cc1ccc(CF)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778497923 1304455664 /nfs/dbraw/zinc/45/56/64/1304455664.db2.gz MBPZBTWNYHNGBB-OAQYLSRUSA-N 2 2 342.458 3.225 20 0 EGADLP C[NH+](Cc1ccc(CF)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000778497923 1304455669 /nfs/dbraw/zinc/45/56/69/1304455669.db2.gz MBPZBTWNYHNGBB-OAQYLSRUSA-N 2 2 342.458 3.225 20 0 EGADLP C[NH+](Cc1ccc(CF)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000778497923 1304455672 /nfs/dbraw/zinc/45/56/72/1304455672.db2.gz MBPZBTWNYHNGBB-OAQYLSRUSA-N 2 2 342.458 3.225 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779059367 1304523714 /nfs/dbraw/zinc/52/37/14/1304523714.db2.gz XIJKTRJPCSTRHB-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000779059367 1304523719 /nfs/dbraw/zinc/52/37/19/1304523719.db2.gz XIJKTRJPCSTRHB-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000780739320 1304732328 /nfs/dbraw/zinc/73/23/28/1304732328.db2.gz KVZCHZRMHFPPHE-SJORKVTESA-N 2 2 331.504 3.444 20 0 EGADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1c(F)cccc1F ZINC000783029838 1305039149 /nfs/dbraw/zinc/03/91/49/1305039149.db2.gz GQWWARYMWZYHLJ-SFHVURJKSA-N 2 2 349.425 3.387 20 0 EGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cnc1F ZINC000891840470 1305184875 /nfs/dbraw/zinc/18/48/75/1305184875.db2.gz VATFUUBVHOMDDA-UHFFFAOYSA-N 2 2 342.462 3.063 20 0 EGADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cnc1F ZINC000891840470 1305184879 /nfs/dbraw/zinc/18/48/79/1305184879.db2.gz VATFUUBVHOMDDA-UHFFFAOYSA-N 2 2 342.462 3.063 20 0 EGADLP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000894227175 1306289553 /nfs/dbraw/zinc/28/95/53/1306289553.db2.gz QIKDGDSAEMMQKI-FQEVSTJZSA-N 2 2 325.456 3.092 20 0 EGADLP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000894227175 1306289562 /nfs/dbraw/zinc/28/95/62/1306289562.db2.gz QIKDGDSAEMMQKI-FQEVSTJZSA-N 2 2 325.456 3.092 20 0 EGADLP COC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCCC1 ZINC000790974900 1308901443 /nfs/dbraw/zinc/90/14/43/1308901443.db2.gz ZGMMEZGLKWLRSG-UHFFFAOYSA-N 2 2 331.504 3.270 20 0 EGADLP COc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)c(OCc2cccnc2)c1 ZINC000895295041 1309273780 /nfs/dbraw/zinc/27/37/80/1309273780.db2.gz YXVKRMBVXJXJFR-INIZCTEOSA-N 2 2 343.471 3.099 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382347 1309514561 /nfs/dbraw/zinc/51/45/61/1309514561.db2.gz HAKDYNCJJNDVOZ-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382347 1309514539 /nfs/dbraw/zinc/51/45/39/1309514539.db2.gz HAKDYNCJJNDVOZ-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382347 1309514546 /nfs/dbraw/zinc/51/45/46/1309514546.db2.gz HAKDYNCJJNDVOZ-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382347 1309514554 /nfs/dbraw/zinc/51/45/54/1309514554.db2.gz HAKDYNCJJNDVOZ-JSGCOSHPSA-N 2 2 326.282 3.149 20 0 EGADLP C[C@H](C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21)Cn1cc[nH+]c1 ZINC000796278730 1309951777 /nfs/dbraw/zinc/95/17/77/1309951777.db2.gz CMOAVUVAELOGSG-LLVKDONJSA-N 2 2 338.242 3.264 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)c(C)c1OC ZINC000796703108 1310067807 /nfs/dbraw/zinc/06/78/07/1310067807.db2.gz ROODUZLSOGAXMF-CVEARBPZSA-N 2 2 334.504 3.407 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798935247 1310460592 /nfs/dbraw/zinc/46/05/92/1310460592.db2.gz MEHXUBXJPPIIOQ-QFIPXVFZSA-N 3 2 341.543 3.363 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935247 1310460597 /nfs/dbraw/zinc/46/05/97/1310460597.db2.gz MEHXUBXJPPIIOQ-QFIPXVFZSA-N 3 2 341.543 3.363 20 0 EGADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000799057358 1310476409 /nfs/dbraw/zinc/47/64/09/1310476409.db2.gz OZZWUQGCEFDYRG-UHFFFAOYSA-N 2 2 334.851 3.325 20 0 EGADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000897992205 1310543768 /nfs/dbraw/zinc/54/37/68/1310543768.db2.gz SXMNAKRUHKDSKQ-IBGZPJMESA-N 2 2 341.455 3.063 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001019039994 1317017864 /nfs/dbraw/zinc/01/78/64/1317017864.db2.gz CRFROOPUMPDMEP-QFBILLFUSA-N 2 2 346.434 3.055 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899506600 1317062046 /nfs/dbraw/zinc/06/20/46/1317062046.db2.gz RGGFBAOKVFEHIC-UHFFFAOYSA-N 2 2 334.508 3.245 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899506600 1317062056 /nfs/dbraw/zinc/06/20/56/1317062056.db2.gz RGGFBAOKVFEHIC-UHFFFAOYSA-N 2 2 334.508 3.245 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000806155678 1317466844 /nfs/dbraw/zinc/46/68/44/1317466844.db2.gz SOUFVGUPAZBIIF-ZWKOTPCHSA-N 2 2 329.488 3.438 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(OC)c(OC)c1 ZINC000902446205 1317580042 /nfs/dbraw/zinc/58/00/42/1317580042.db2.gz SNOJGOFYJFPZJC-MBOZVWFJSA-N 2 2 326.440 3.369 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000902485096 1317583213 /nfs/dbraw/zinc/58/32/13/1317583213.db2.gz YWGLYCGNYWKGHU-WMZOPIPTSA-N 2 2 342.487 3.182 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000957768793 1317632753 /nfs/dbraw/zinc/63/27/53/1317632753.db2.gz VNLVAOKTOWZADX-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP CC[N@H+](CC1=CCCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000957768793 1317632758 /nfs/dbraw/zinc/63/27/58/1317632758.db2.gz VNLVAOKTOWZADX-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000957774853 1317639132 /nfs/dbraw/zinc/63/91/32/1317639132.db2.gz RBJKVTJJLMIXBP-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000957774853 1317639139 /nfs/dbraw/zinc/63/91/39/1317639139.db2.gz RBJKVTJJLMIXBP-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)cc1 ZINC001020414069 1317686486 /nfs/dbraw/zinc/68/64/86/1317686486.db2.gz SQLOVMLVUIQUBW-WGSAOQKQSA-N 2 2 337.467 3.366 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC(C)(C)C3)C2)c(C)[nH+]1 ZINC001020414595 1317687465 /nfs/dbraw/zinc/68/74/65/1317687465.db2.gz CCESPUJRJKSENF-QAQDUYKDSA-N 2 2 329.488 3.293 20 0 EGADLP C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718834 1317724472 /nfs/dbraw/zinc/72/44/72/1317724472.db2.gz RMRYGNGSSJMJFI-ZDUSSCGKSA-N 2 2 326.843 3.070 20 0 EGADLP C[N@H+](Cc1c(F)cccc1Cl)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718834 1317724476 /nfs/dbraw/zinc/72/44/76/1317724476.db2.gz RMRYGNGSSJMJFI-ZDUSSCGKSA-N 2 2 326.843 3.070 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322757 1317829500 /nfs/dbraw/zinc/82/95/00/1317829500.db2.gz JGAVRFBJMGMRLV-FQEVSTJZSA-N 3 2 330.520 3.010 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322757 1317829508 /nfs/dbraw/zinc/82/95/08/1317829508.db2.gz JGAVRFBJMGMRLV-FQEVSTJZSA-N 3 2 330.520 3.010 20 0 EGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C[C@H](O)c1ccc(C)cc1 ZINC000809581527 1317837006 /nfs/dbraw/zinc/83/70/06/1317837006.db2.gz LYZHRGYYJPCZKK-KRWDZBQOSA-N 2 2 333.501 3.069 20 0 EGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C[C@H](O)c1ccc(C)cc1 ZINC000809581527 1317837011 /nfs/dbraw/zinc/83/70/11/1317837011.db2.gz LYZHRGYYJPCZKK-KRWDZBQOSA-N 2 2 333.501 3.069 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1Br ZINC000904461187 1317850128 /nfs/dbraw/zinc/85/01/28/1317850128.db2.gz GKSUKEDYNXTMAZ-NVXWUHKLSA-N 2 2 347.256 3.172 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904645215 1317874121 /nfs/dbraw/zinc/87/41/21/1317874121.db2.gz UXKYCZMAHGKCJT-CQSZACIVSA-N 2 2 344.484 3.118 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2cnc([C@@H]3CCCC[NH2+]3)nc2)c1 ZINC000906171113 1318050672 /nfs/dbraw/zinc/05/06/72/1318050672.db2.gz QMBSYXSTGJROHD-SFHVURJKSA-N 2 2 337.402 3.342 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC001021129850 1318108417 /nfs/dbraw/zinc/10/84/17/1318108417.db2.gz ILWLOQOVHKGTCP-CDHQVMDDSA-N 2 2 348.450 3.034 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001021299620 1318177262 /nfs/dbraw/zinc/17/72/62/1318177262.db2.gz PTTXCGDLOKGVMB-ALOPSCKCSA-N 2 2 338.455 3.088 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001021299620 1318177267 /nfs/dbraw/zinc/17/72/67/1318177267.db2.gz PTTXCGDLOKGVMB-ALOPSCKCSA-N 2 2 338.455 3.088 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC000960150181 1318383158 /nfs/dbraw/zinc/38/31/58/1318383158.db2.gz QLFKYPTYIUWLAZ-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590159 1318719797 /nfs/dbraw/zinc/71/97/97/1318719797.db2.gz JYUPQGVMMIFOEF-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000960590159 1318719803 /nfs/dbraw/zinc/71/98/03/1318719803.db2.gz JYUPQGVMMIFOEF-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP COC1(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1 ZINC000815148027 1318913739 /nfs/dbraw/zinc/91/37/39/1318913739.db2.gz JJYUROOSIWQPMU-UHFFFAOYSA-N 2 2 331.504 3.270 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)c(C)c1 ZINC001022423601 1318933882 /nfs/dbraw/zinc/93/38/82/1318933882.db2.gz CNSOCVAMNVENLE-HDICACEKSA-N 2 2 348.450 3.002 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001022691980 1319071421 /nfs/dbraw/zinc/07/14/21/1319071421.db2.gz DKRXBMLJTLHWGV-IXDOHACOSA-N 2 2 344.503 3.037 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187531 1319302536 /nfs/dbraw/zinc/30/25/36/1319302536.db2.gz LOXQWZZLRKDAIR-HZPDHXFCSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187531 1319302545 /nfs/dbraw/zinc/30/25/45/1319302545.db2.gz LOXQWZZLRKDAIR-HZPDHXFCSA-N 2 2 340.471 3.147 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000817890973 1319452902 /nfs/dbraw/zinc/45/29/02/1319452902.db2.gz CSGUNJRKFRHCIW-ZACQAIPSSA-N 2 2 336.357 3.171 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000817926283 1319463740 /nfs/dbraw/zinc/46/37/40/1319463740.db2.gz DKERPPBYMGKOQK-JTNHKYCSSA-N 2 2 345.270 3.174 20 0 EGADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000818959674 1319590825 /nfs/dbraw/zinc/59/08/25/1319590825.db2.gz QLUNYLQGKWZTDN-ARFHVFGLSA-N 2 2 329.271 3.243 20 0 EGADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000818959674 1319590829 /nfs/dbraw/zinc/59/08/29/1319590829.db2.gz QLUNYLQGKWZTDN-ARFHVFGLSA-N 2 2 329.271 3.243 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487955 1319592845 /nfs/dbraw/zinc/59/28/45/1319592845.db2.gz SBTLKASEYVYZTD-KRWDZBQOSA-N 2 2 342.487 3.212 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487955 1319592851 /nfs/dbraw/zinc/59/28/51/1319592851.db2.gz SBTLKASEYVYZTD-KRWDZBQOSA-N 2 2 342.487 3.212 20 0 EGADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000819085543 1319631160 /nfs/dbraw/zinc/63/11/60/1319631160.db2.gz LBMRNPPSNHPIJM-HNNXBMFYSA-N 2 2 339.361 3.226 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917416189 1319805129 /nfs/dbraw/zinc/80/51/29/1319805129.db2.gz SDQKUAHLFWXPHZ-CQSZACIVSA-N 2 2 331.287 3.272 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000917416189 1319805134 /nfs/dbraw/zinc/80/51/34/1319805134.db2.gz SDQKUAHLFWXPHZ-CQSZACIVSA-N 2 2 331.287 3.272 20 0 EGADLP CC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H](O)C(C)C ZINC000840882602 1321169130 /nfs/dbraw/zinc/16/91/30/1321169130.db2.gz QIQIVWTUPKWZTH-UXHICEINSA-N 2 2 333.520 3.107 20 0 EGADLP C[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC[NH2+]1 ZINC000841022830 1321202781 /nfs/dbraw/zinc/20/27/81/1321202781.db2.gz XZSVERJVBQRLHH-QRFRQXIXSA-N 2 2 344.499 3.061 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000841041667 1321207356 /nfs/dbraw/zinc/20/73/56/1321207356.db2.gz DGDDQBXAVRPWIH-SFHVURJKSA-N 2 2 325.456 3.119 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000841062196 1321211722 /nfs/dbraw/zinc/21/17/22/1321211722.db2.gz SUIRDGRFOGIVBJ-RHSMWYFYSA-N 2 2 346.906 3.432 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000841062914 1321212014 /nfs/dbraw/zinc/21/20/14/1321212014.db2.gz ZIIJUWJUWBYUJW-BBRMVZONSA-N 2 2 332.879 3.123 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000841081439 1321215522 /nfs/dbraw/zinc/21/55/22/1321215522.db2.gz BTSYKDPROGQZOW-IYARVYRRSA-N 3 2 344.547 3.076 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c(Cl)nc21 ZINC000841090061 1321216757 /nfs/dbraw/zinc/21/67/57/1321216757.db2.gz UZJXLEWVNSCKNM-HNNXBMFYSA-N 2 2 347.894 3.430 20 0 EGADLP CC(C)Cn1nccc1C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000842684753 1321419047 /nfs/dbraw/zinc/41/90/47/1321419047.db2.gz KDQCKCIWTPRGCD-LJQANCHMSA-N 2 2 337.471 3.346 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000844220784 1321580175 /nfs/dbraw/zinc/58/01/75/1321580175.db2.gz BIJKWCKUXIBICA-LQDVMPOASA-N 2 2 333.382 3.464 20 0 EGADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000844220784 1321580178 /nfs/dbraw/zinc/58/01/78/1321580178.db2.gz BIJKWCKUXIBICA-LQDVMPOASA-N 2 2 333.382 3.464 20 0 EGADLP [NH2+]=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NCC1CCC1 ZINC000849054096 1322059472 /nfs/dbraw/zinc/05/94/72/1322059472.db2.gz FBFIFHKJEVONJD-KRWDZBQOSA-N 2 2 334.895 3.391 20 0 EGADLP CCc1ccc(NC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000849066749 1322065481 /nfs/dbraw/zinc/06/54/81/1322065481.db2.gz PRQYNTQJPOWXGC-UHFFFAOYSA-N 2 2 334.427 3.275 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000849067025 1322065689 /nfs/dbraw/zinc/06/56/89/1322065689.db2.gz UUXOYXYPUTUPCC-OAHLLOKOSA-N 2 2 342.491 3.404 20 0 EGADLP CC(C)Oc1ccc([C@@H](CNC(=[NH2+])NC2CCCC2)[NH+](C)C)cc1 ZINC000849077938 1322069112 /nfs/dbraw/zinc/06/91/12/1322069112.db2.gz QRFMIKZOEBBBNI-GOSISDBHSA-N 2 2 332.492 3.133 20 0 EGADLP Cc1[nH]c(CNc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)[nH+]c1C ZINC000850169002 1322201284 /nfs/dbraw/zinc/20/12/84/1322201284.db2.gz HCGKQFQQVZKYAG-CQSZACIVSA-N 2 2 328.460 3.359 20 0 EGADLP Cc1[nH]c(CNc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)[nH+]c1C ZINC000850169002 1322201289 /nfs/dbraw/zinc/20/12/89/1322201289.db2.gz HCGKQFQQVZKYAG-CQSZACIVSA-N 2 2 328.460 3.359 20 0 EGADLP Cc1[nH]c(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)[nH+]c1C ZINC000850236332 1322212538 /nfs/dbraw/zinc/21/25/38/1322212538.db2.gz FJFNODKZCWZDFB-UHFFFAOYSA-N 2 2 327.476 3.169 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1Cl ZINC000921670226 1322375632 /nfs/dbraw/zinc/37/56/32/1322375632.db2.gz DMICYZNWDOSQNR-QGZVFWFLSA-N 2 2 346.906 3.036 20 0 EGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1Cl ZINC000921670226 1322375636 /nfs/dbraw/zinc/37/56/36/1322375636.db2.gz DMICYZNWDOSQNR-QGZVFWFLSA-N 2 2 346.906 3.036 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1 ZINC000921799329 1322399353 /nfs/dbraw/zinc/39/93/53/1322399353.db2.gz FVLLCVYHBNLBRM-IBGZPJMESA-N 2 2 335.455 3.415 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001023960959 1323052679 /nfs/dbraw/zinc/05/26/79/1323052679.db2.gz BFJSWTLSSZJAEH-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667823 1323102577 /nfs/dbraw/zinc/10/25/77/1323102577.db2.gz PEXVJIVCLLSGSJ-OLPIVMHESA-N 2 2 349.494 3.101 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667823 1323102584 /nfs/dbraw/zinc/10/25/84/1323102584.db2.gz PEXVJIVCLLSGSJ-OLPIVMHESA-N 2 2 349.494 3.101 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cc(CO)on1 ZINC000924870669 1323194967 /nfs/dbraw/zinc/19/49/67/1323194967.db2.gz SVANPAYZOSRHGD-MRXNPFEDSA-N 2 2 343.471 3.394 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903870 1323206147 /nfs/dbraw/zinc/20/61/47/1323206147.db2.gz XFAUXVWEUMVXIO-YJBOKZPZSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1coc2ccccc21 ZINC000924903870 1323206158 /nfs/dbraw/zinc/20/61/58/1323206158.db2.gz XFAUXVWEUMVXIO-YJBOKZPZSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708491 1323230192 /nfs/dbraw/zinc/23/01/92/1323230192.db2.gz CCSUYHFIFRCCMU-CXAGYDPISA-N 2 2 342.405 3.297 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708491 1323230202 /nfs/dbraw/zinc/23/02/02/1323230202.db2.gz CCSUYHFIFRCCMU-CXAGYDPISA-N 2 2 342.405 3.297 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024646646 1323572538 /nfs/dbraw/zinc/57/25/38/1323572538.db2.gz GMCPNPBXCIKTOK-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024646646 1323572541 /nfs/dbraw/zinc/57/25/41/1323572541.db2.gz GMCPNPBXCIKTOK-DLBZAZTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274352 1324091709 /nfs/dbraw/zinc/09/17/09/1324091709.db2.gz XAWPJHHPLLKPLJ-RTBURBONSA-N 2 2 346.519 3.234 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025274352 1324091713 /nfs/dbraw/zinc/09/17/13/1324091713.db2.gz XAWPJHHPLLKPLJ-RTBURBONSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457412 1324297351 /nfs/dbraw/zinc/29/73/51/1324297351.db2.gz CANBEEVZVXEDMQ-CVEARBPZSA-N 2 2 340.471 3.359 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457412 1324297359 /nfs/dbraw/zinc/29/73/59/1324297359.db2.gz CANBEEVZVXEDMQ-CVEARBPZSA-N 2 2 340.471 3.359 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459351 1324303323 /nfs/dbraw/zinc/30/33/23/1324303323.db2.gz MHMLAZXFOBIIOD-HZPDHXFCSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459351 1324303326 /nfs/dbraw/zinc/30/33/26/1324303326.db2.gz MHMLAZXFOBIIOD-HZPDHXFCSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491632 1324341926 /nfs/dbraw/zinc/34/19/26/1324341926.db2.gz XBLLVDSGEQSVNA-IRXDYDNUSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025491632 1324341932 /nfs/dbraw/zinc/34/19/32/1324341932.db2.gz XBLLVDSGEQSVNA-IRXDYDNUSA-N 2 2 342.487 3.211 20 0 EGADLP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493418 1324344054 /nfs/dbraw/zinc/34/40/54/1324344054.db2.gz NSBPIPLWAGYBHY-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493418 1324344063 /nfs/dbraw/zinc/34/40/63/1324344063.db2.gz NSBPIPLWAGYBHY-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(C)C)[C@@H]3C2)c(C)[nH+]1 ZINC001026318357 1324722141 /nfs/dbraw/zinc/72/21/41/1324722141.db2.gz WOSRBTLMYBNFBF-KSZLIROESA-N 2 2 329.488 3.103 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026583938 1324911395 /nfs/dbraw/zinc/91/13/95/1324911395.db2.gz KWHWVTMOGAZDPN-KLAILNCOSA-N 2 2 340.471 3.039 20 0 EGADLP CC1(C)CCC(C[NH2+]C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001026613503 1324934737 /nfs/dbraw/zinc/93/47/37/1324934737.db2.gz PXJVBWLYNLILEB-UHFFFAOYSA-N 2 2 346.519 3.117 20 0 EGADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cc(F)ncn3)cc2)CC1 ZINC000853360000 1325084604 /nfs/dbraw/zinc/08/46/04/1325084604.db2.gz BNTAIYUOVAHBQI-UHFFFAOYSA-N 2 2 329.423 3.137 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(O[C@@H]2CCOC2)c1 ZINC000925267857 1325106586 /nfs/dbraw/zinc/10/65/86/1325106586.db2.gz JSXNVOKZRYXPAE-AQNXPRMDSA-N 2 2 344.499 3.269 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(O[C@@H]2CCOC2)c1 ZINC000925267857 1325106592 /nfs/dbraw/zinc/10/65/92/1325106592.db2.gz JSXNVOKZRYXPAE-AQNXPRMDSA-N 2 2 344.499 3.269 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333234 1325118782 /nfs/dbraw/zinc/11/87/82/1325118782.db2.gz KXWNPDZFVUKJFV-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000963333234 1325118791 /nfs/dbraw/zinc/11/87/91/1325118791.db2.gz KXWNPDZFVUKJFV-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1OCC ZINC000925510275 1325184075 /nfs/dbraw/zinc/18/40/75/1325184075.db2.gz TYCXPHSKJGOMHS-JKNDIDBPSA-N 2 2 330.472 3.131 20 0 EGADLP Brc1ccc2[nH]c(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)cc2c1 ZINC000925638640 1325242453 /nfs/dbraw/zinc/24/24/53/1325242453.db2.gz FOZWFGZOPWZDNN-WSBUHRGFSA-N 2 2 346.272 3.016 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CCCC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970673 1328443515 /nfs/dbraw/zinc/44/35/15/1328443515.db2.gz OLCIFFQEWDHICF-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CCCC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970673 1328443519 /nfs/dbraw/zinc/44/35/19/1328443519.db2.gz OLCIFFQEWDHICF-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CCCNc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)nc[nH+]1 ZINC000865937926 1329753105 /nfs/dbraw/zinc/75/31/05/1329753105.db2.gz GLKAOLCPFUJNAV-UHFFFAOYSA-N 2 2 340.475 3.018 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932254712 1329800847 /nfs/dbraw/zinc/80/08/47/1329800847.db2.gz XELUXEKFYZHFDV-INIZCTEOSA-N 2 2 349.276 3.347 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932254712 1329800848 /nfs/dbraw/zinc/80/08/48/1329800848.db2.gz XELUXEKFYZHFDV-INIZCTEOSA-N 2 2 349.276 3.347 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000939621895 1330472459 /nfs/dbraw/zinc/47/24/59/1330472459.db2.gz FZCNFPYSXFNDKW-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943874971 1332286311 /nfs/dbraw/zinc/28/63/11/1332286311.db2.gz AAFSVDFPHLGTJM-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943874971 1332286314 /nfs/dbraw/zinc/28/63/14/1332286314.db2.gz AAFSVDFPHLGTJM-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C[C@@H]1C ZINC000944442551 1332413078 /nfs/dbraw/zinc/41/30/78/1332413078.db2.gz DHEKURZHLXGWND-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C[C@@H]1C ZINC000944442551 1332413082 /nfs/dbraw/zinc/41/30/82/1332413082.db2.gz DHEKURZHLXGWND-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947437518 1333126846 /nfs/dbraw/zinc/12/68/46/1333126846.db2.gz RSFOKVMMOXJWDX-WMZOPIPTSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC000947437518 1333126850 /nfs/dbraw/zinc/12/68/50/1333126850.db2.gz RSFOKVMMOXJWDX-WMZOPIPTSA-N 2 2 348.535 3.332 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947440804 1333128016 /nfs/dbraw/zinc/12/80/16/1333128016.db2.gz DCHYXKUEQQZRHY-WBVHZDCISA-N 2 2 347.503 3.038 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947440804 1333128018 /nfs/dbraw/zinc/12/80/18/1333128018.db2.gz DCHYXKUEQQZRHY-WBVHZDCISA-N 2 2 347.503 3.038 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947862650 1333284439 /nfs/dbraw/zinc/28/44/39/1333284439.db2.gz UXNDYBVOUPTWQE-RDJZCZTQSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947862650 1333284443 /nfs/dbraw/zinc/28/44/43/1333284443.db2.gz UXNDYBVOUPTWQE-RDJZCZTQSA-N 2 2 346.519 3.138 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947979178 1333330418 /nfs/dbraw/zinc/33/04/18/1333330418.db2.gz BXDOAZKWBZDRFW-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)[C@H](C)C1 ZINC000947979178 1333330419 /nfs/dbraw/zinc/33/04/19/1333330419.db2.gz BXDOAZKWBZDRFW-CRAIPNDOSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@H](F)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552971 1333571820 /nfs/dbraw/zinc/57/18/20/1333571820.db2.gz CVZWTFZRWDTINS-HOTGVXAUSA-N 2 2 346.450 3.238 20 0 EGADLP CC[C@H](F)C[N@H+]1CCC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948552971 1333571821 /nfs/dbraw/zinc/57/18/21/1333571821.db2.gz CVZWTFZRWDTINS-HOTGVXAUSA-N 2 2 346.450 3.238 20 0 EGADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617038 1333598242 /nfs/dbraw/zinc/59/82/42/1333598242.db2.gz MKRAOVUEEATTBE-HZPDHXFCSA-N 2 2 346.450 3.009 20 0 EGADLP CC[C@@H](F)C[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948617038 1333598243 /nfs/dbraw/zinc/59/82/43/1333598243.db2.gz MKRAOVUEEATTBE-HZPDHXFCSA-N 2 2 346.450 3.009 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766536 1333668808 /nfs/dbraw/zinc/66/88/08/1333668808.db2.gz KJFCUXQCYNNLPW-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948766536 1333668810 /nfs/dbraw/zinc/66/88/10/1333668810.db2.gz KJFCUXQCYNNLPW-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCCC2CCC2)C1 ZINC000950628309 1334098770 /nfs/dbraw/zinc/09/87/70/1334098770.db2.gz TZNWTANBVPBOIU-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@@H]1CC[N@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702859 1336017755 /nfs/dbraw/zinc/01/77/55/1336017755.db2.gz POVCCKATEXDVNN-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC2CCCCCC2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702859 1336017757 /nfs/dbraw/zinc/01/77/57/1336017757.db2.gz POVCCKATEXDVNN-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccsc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642147 1336682187 /nfs/dbraw/zinc/68/21/87/1336682187.db2.gz RNMKNMGWNWPEEE-OAHLLOKOSA-N 2 2 340.452 3.019 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642147 1336682189 /nfs/dbraw/zinc/68/21/89/1336682189.db2.gz RNMKNMGWNWPEEE-OAHLLOKOSA-N 2 2 340.452 3.019 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206811898 1371176690 /nfs/dbraw/zinc/17/66/90/1371176690.db2.gz WRTVXHZIPQHDRU-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206811898 1371176694 /nfs/dbraw/zinc/17/66/94/1371176694.db2.gz WRTVXHZIPQHDRU-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCCC4CCC4)C3)ccn12 ZINC001014447743 1337780502 /nfs/dbraw/zinc/78/05/02/1337780502.db2.gz PHVBFUGSUDYWKT-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCCC4CCC4)C3)ccn12 ZINC001014447743 1337780503 /nfs/dbraw/zinc/78/05/03/1337780503.db2.gz PHVBFUGSUDYWKT-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939300 1337960228 /nfs/dbraw/zinc/96/02/28/1337960228.db2.gz CLDPCWCVRJGEEP-QAPCUYQASA-N 2 2 348.450 3.437 20 0 EGADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939300 1337960230 /nfs/dbraw/zinc/96/02/30/1337960230.db2.gz CLDPCWCVRJGEEP-QAPCUYQASA-N 2 2 348.450 3.437 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014939303 1337960301 /nfs/dbraw/zinc/96/03/01/1337960301.db2.gz CLKLIZRKPZFBEC-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014939303 1337960306 /nfs/dbraw/zinc/96/03/06/1337960306.db2.gz CLKLIZRKPZFBEC-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941600 1337961326 /nfs/dbraw/zinc/96/13/26/1337961326.db2.gz ORJFBNFGMAPRLD-NVXWUHKLSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941600 1337961330 /nfs/dbraw/zinc/96/13/30/1337961330.db2.gz ORJFBNFGMAPRLD-NVXWUHKLSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001014941192 1337961403 /nfs/dbraw/zinc/96/14/03/1337961403.db2.gz NKKUVSKEIIFJMO-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001014941192 1337961408 /nfs/dbraw/zinc/96/14/08/1337961408.db2.gz NKKUVSKEIIFJMO-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014942776 1337961816 /nfs/dbraw/zinc/96/18/16/1337961816.db2.gz VTBPXISOSQDUSH-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001014942776 1337961817 /nfs/dbraw/zinc/96/18/17/1337961817.db2.gz VTBPXISOSQDUSH-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015426866 1338137632 /nfs/dbraw/zinc/13/76/32/1338137632.db2.gz PRGWXYDGNISWRU-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015426866 1338137639 /nfs/dbraw/zinc/13/76/39/1338137639.db2.gz PRGWXYDGNISWRU-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632651 1340735984 /nfs/dbraw/zinc/73/59/84/1340735984.db2.gz OUCOMERIJSVCQP-CVEARBPZSA-N 2 2 348.450 3.376 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632651 1340735987 /nfs/dbraw/zinc/73/59/87/1340735987.db2.gz OUCOMERIJSVCQP-CVEARBPZSA-N 2 2 348.450 3.376 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001029495217 1341000700 /nfs/dbraw/zinc/00/07/00/1341000700.db2.gz DNCGHAJUJLMCOQ-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001029495217 1341000701 /nfs/dbraw/zinc/00/07/01/1341000701.db2.gz DNCGHAJUJLMCOQ-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[N@H+](C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)CC1CCCCC1 ZINC001029888491 1341105495 /nfs/dbraw/zinc/10/54/95/1341105495.db2.gz ZHMPMBRYDIJKJZ-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP C[N@@H+](C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)CC1CCCCC1 ZINC001029888491 1341105496 /nfs/dbraw/zinc/10/54/96/1341105496.db2.gz ZHMPMBRYDIJKJZ-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025623 1341160458 /nfs/dbraw/zinc/16/04/58/1341160458.db2.gz COTLDLOAKVWXLD-IIDMSEBBSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025623 1341160459 /nfs/dbraw/zinc/16/04/59/1341160459.db2.gz COTLDLOAKVWXLD-IIDMSEBBSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025623 1341160460 /nfs/dbraw/zinc/16/04/60/1341160460.db2.gz COTLDLOAKVWXLD-IIDMSEBBSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025623 1341160461 /nfs/dbraw/zinc/16/04/61/1341160461.db2.gz COTLDLOAKVWXLD-IIDMSEBBSA-N 2 2 349.906 3.076 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030593754 1341199664 /nfs/dbraw/zinc/19/96/64/1341199664.db2.gz BSMHKCLUOXSSFQ-VQTJNVASSA-N 2 2 343.515 3.059 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030593754 1341199665 /nfs/dbraw/zinc/19/96/65/1341199665.db2.gz BSMHKCLUOXSSFQ-VQTJNVASSA-N 2 2 343.515 3.059 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050862 1341270202 /nfs/dbraw/zinc/27/02/02/1341270202.db2.gz ZULLCTOADWUJCT-PXNSSMCTSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050862 1341270203 /nfs/dbraw/zinc/27/02/03/1341270203.db2.gz ZULLCTOADWUJCT-PXNSSMCTSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001033190611 1341748301 /nfs/dbraw/zinc/74/83/01/1341748301.db2.gz CKOVLVFJLFQSFN-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001033190611 1341748302 /nfs/dbraw/zinc/74/83/02/1341748302.db2.gz CKOVLVFJLFQSFN-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191926 1341748536 /nfs/dbraw/zinc/74/85/36/1341748536.db2.gz MFTJNVYSNODCFW-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191926 1341748537 /nfs/dbraw/zinc/74/85/37/1341748537.db2.gz MFTJNVYSNODCFW-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001033193700 1341749153 /nfs/dbraw/zinc/74/91/53/1341749153.db2.gz UJAZPRWDJXOMQC-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001033193700 1341749155 /nfs/dbraw/zinc/74/91/55/1341749155.db2.gz UJAZPRWDJXOMQC-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033872737 1342052349 /nfs/dbraw/zinc/05/23/49/1342052349.db2.gz LTLICIPPUDEBPL-INIZCTEOSA-N 2 2 326.444 3.066 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033872737 1342052351 /nfs/dbraw/zinc/05/23/51/1342052351.db2.gz LTLICIPPUDEBPL-INIZCTEOSA-N 2 2 326.444 3.066 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467332 1342522726 /nfs/dbraw/zinc/52/27/26/1342522726.db2.gz JBYJJGCEMLOODK-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034467332 1342522731 /nfs/dbraw/zinc/52/27/31/1342522731.db2.gz JBYJJGCEMLOODK-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCc3ccc(C[NH2+]C(C)C)cc3)ccn12 ZINC001034815682 1342780527 /nfs/dbraw/zinc/78/05/27/1342780527.db2.gz ASUFVSFZEDEGQM-UHFFFAOYSA-N 2 2 336.439 3.071 20 0 EGADLP CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035244798 1343066384 /nfs/dbraw/zinc/06/63/84/1343066384.db2.gz COZUSRGRXBIIIS-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035244798 1343066386 /nfs/dbraw/zinc/06/63/86/1343066386.db2.gz COZUSRGRXBIIIS-UHFFFAOYSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001036434067 1343485118 /nfs/dbraw/zinc/48/51/18/1343485118.db2.gz RURZMXIKSAJWET-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001037246408 1344066056 /nfs/dbraw/zinc/06/60/56/1344066056.db2.gz LGQQDSPAFURWJB-ZWKOTPCHSA-N 2 2 344.503 3.026 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037847537 1344135357 /nfs/dbraw/zinc/13/53/57/1344135357.db2.gz ADMSUAFNDXGDQK-HKUYNNGSSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037847537 1344135360 /nfs/dbraw/zinc/13/53/60/1344135360.db2.gz ADMSUAFNDXGDQK-HKUYNNGSSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001038910558 1344647940 /nfs/dbraw/zinc/64/79/40/1344647940.db2.gz WFOGSTKCGZZKGV-ROUUACIJSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccsc1 ZINC001038910558 1344647944 /nfs/dbraw/zinc/64/79/44/1344647944.db2.gz WFOGSTKCGZZKGV-ROUUACIJSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001038910558 1344647945 /nfs/dbraw/zinc/64/79/45/1344647945.db2.gz WFOGSTKCGZZKGV-ROUUACIJSA-N 2 2 349.544 3.093 20 0 EGADLP CCCC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001038910558 1344647948 /nfs/dbraw/zinc/64/79/48/1344647948.db2.gz WFOGSTKCGZZKGV-ROUUACIJSA-N 2 2 349.544 3.093 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001039935852 1345250200 /nfs/dbraw/zinc/25/02/00/1345250200.db2.gz ROFNCWOKEXUNHM-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001039935852 1345250204 /nfs/dbraw/zinc/25/02/04/1345250204.db2.gz ROFNCWOKEXUNHM-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116094 1345948684 /nfs/dbraw/zinc/94/86/84/1345948684.db2.gz HESVJANNCKXSQO-KXBFYZLASA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001042116094 1345948686 /nfs/dbraw/zinc/94/86/86/1345948686.db2.gz HESVJANNCKXSQO-KXBFYZLASA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001044694471 1346405201 /nfs/dbraw/zinc/40/52/01/1346405201.db2.gz SDEBYRBVOBGUKM-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001044694469 1346405222 /nfs/dbraw/zinc/40/52/22/1346405222.db2.gz SDEBYRBVOBGUKM-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001044841886 1346442974 /nfs/dbraw/zinc/44/29/74/1346442974.db2.gz OHRIKMSLUUCAGI-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3C[NH2+]CC3CCCC3)ccn12 ZINC001045036355 1346484098 /nfs/dbraw/zinc/48/40/98/1346484098.db2.gz ZOUHFTJYUDYKPK-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943400 1346779430 /nfs/dbraw/zinc/77/94/30/1346779430.db2.gz FGYONQVLFOCFPG-HXUWFJFHSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943400 1346779433 /nfs/dbraw/zinc/77/94/33/1346779433.db2.gz FGYONQVLFOCFPG-HXUWFJFHSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943400 1346779435 /nfs/dbraw/zinc/77/94/35/1346779435.db2.gz FGYONQVLFOCFPG-HXUWFJFHSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943400 1346779437 /nfs/dbraw/zinc/77/94/37/1346779437.db2.gz FGYONQVLFOCFPG-HXUWFJFHSA-N 2 2 344.503 3.013 20 0 EGADLP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045946942 1346781917 /nfs/dbraw/zinc/78/19/17/1346781917.db2.gz FUOGGCPTFUUGTB-FQEVSTJZSA-N 2 2 340.471 3.291 20 0 EGADLP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045946942 1346781919 /nfs/dbraw/zinc/78/19/19/1346781919.db2.gz FUOGGCPTFUUGTB-FQEVSTJZSA-N 2 2 340.471 3.291 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975784 1346812539 /nfs/dbraw/zinc/81/25/39/1346812539.db2.gz JFKXZTYMSSPJHC-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045975784 1346812542 /nfs/dbraw/zinc/81/25/42/1346812542.db2.gz JFKXZTYMSSPJHC-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC1(C)CC(C[N@@H+]2CC[C@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001046416208 1346968096 /nfs/dbraw/zinc/96/80/96/1346968096.db2.gz WLCGBSCJNQVHOA-FQEVSTJZSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC(C[N@H+]2CC[C@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001046416208 1346968100 /nfs/dbraw/zinc/96/81/00/1346968100.db2.gz WLCGBSCJNQVHOA-FQEVSTJZSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512475 1346999650 /nfs/dbraw/zinc/99/96/50/1346999650.db2.gz FHXRKRYXIPJJHF-HXUWFJFHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046512475 1346999652 /nfs/dbraw/zinc/99/96/52/1346999652.db2.gz FHXRKRYXIPJJHF-HXUWFJFHSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513483 1347000599 /nfs/dbraw/zinc/00/05/99/1347000599.db2.gz XAVFYEOBWKLBCR-OXQOHEQNSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513483 1347000601 /nfs/dbraw/zinc/00/06/01/1347000601.db2.gz XAVFYEOBWKLBCR-OXQOHEQNSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544472 1347899953 /nfs/dbraw/zinc/89/99/53/1347899953.db2.gz DBJHBCAHRWRXHA-JQHSSLGASA-N 2 2 346.519 3.038 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544472 1347899956 /nfs/dbraw/zinc/89/99/56/1347899956.db2.gz DBJHBCAHRWRXHA-JQHSSLGASA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)[N@@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051293433 1348422084 /nfs/dbraw/zinc/42/20/84/1348422084.db2.gz SLTXGHIKZXVSLO-UHFFFAOYSA-N 2 2 348.450 3.259 20 0 EGADLP CC(C)[N@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051293433 1348422087 /nfs/dbraw/zinc/42/20/87/1348422087.db2.gz SLTXGHIKZXVSLO-UHFFFAOYSA-N 2 2 348.450 3.259 20 0 EGADLP CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001053093053 1348920104 /nfs/dbraw/zinc/92/01/04/1348920104.db2.gz UUYCLDKZKMTSRU-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001053093053 1348920108 /nfs/dbraw/zinc/92/01/08/1348920108.db2.gz UUYCLDKZKMTSRU-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001054798034 1349464655 /nfs/dbraw/zinc/46/46/55/1349464655.db2.gz OWBAVEMZFKHZQV-LIRRHRJNSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054798031 1349464804 /nfs/dbraw/zinc/46/48/04/1349464804.db2.gz OWBAVEMZFKHZQV-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071953620 1355039132 /nfs/dbraw/zinc/03/91/32/1355039132.db2.gz BZASAECKRHKOHV-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071953620 1355039136 /nfs/dbraw/zinc/03/91/36/1355039136.db2.gz BZASAECKRHKOHV-FUHWJXTLSA-N 2 2 340.471 3.255 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC2CCCCC2)C1 ZINC001072029757 1355091056 /nfs/dbraw/zinc/09/10/56/1355091056.db2.gz JNTQPLLCUZPFFR-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CCCCC2)C1 ZINC001072029757 1355091059 /nfs/dbraw/zinc/09/10/59/1355091059.db2.gz JNTQPLLCUZPFFR-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001072322605 1355236849 /nfs/dbraw/zinc/23/68/49/1355236849.db2.gz LRHSZIXLSONXCR-AUUYWEPGSA-N 2 2 343.515 3.495 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001074006515 1356031186 /nfs/dbraw/zinc/03/11/86/1356031186.db2.gz YDRIWLVNSGSUQF-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001074006515 1356031187 /nfs/dbraw/zinc/03/11/87/1356031187.db2.gz YDRIWLVNSGSUQF-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001085271451 1358448896 /nfs/dbraw/zinc/44/88/96/1358448896.db2.gz DZBJRTSBGJZVCR-QZTJIDSGSA-N 2 2 348.450 3.165 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCC2CC2)c(C)[nH+]1 ZINC001085279795 1358450546 /nfs/dbraw/zinc/45/05/46/1358450546.db2.gz FHHMXGURXGBMDX-QZTJIDSGSA-N 2 2 329.488 3.438 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001085373685 1358481034 /nfs/dbraw/zinc/48/10/34/1358481034.db2.gz CWZATSXPTCGODI-KBAYOESNSA-N 2 2 340.471 3.039 20 0 EGADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3CNc3cccc(C)[nH+]3)n2c1 ZINC001323324548 1387338452 /nfs/dbraw/zinc/33/84/52/1387338452.db2.gz XFHFDTLNKASMIU-KRWDZBQOSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H]3CC[N@@H+]3CCC(C)(C)C)ccn12 ZINC001085596784 1358623213 /nfs/dbraw/zinc/62/32/13/1358623213.db2.gz JISRDPWXZHDPDC-KRWDZBQOSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H]3CC[N@H+]3CCC(C)(C)C)ccn12 ZINC001085596784 1358623217 /nfs/dbraw/zinc/62/32/17/1358623217.db2.gz JISRDPWXZHDPDC-KRWDZBQOSA-N 2 2 342.487 3.225 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)[C@H]1C[N@H+](C)CCN1C ZINC001183920048 1387370583 /nfs/dbraw/zinc/37/05/83/1387370583.db2.gz UDTGTZWQNXSDMP-OYNPSCLESA-N 2 2 329.532 3.327 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1)[C@H]1C[N@@H+](C)CCN1C ZINC001183920048 1387370586 /nfs/dbraw/zinc/37/05/86/1387370586.db2.gz UDTGTZWQNXSDMP-OYNPSCLESA-N 2 2 329.532 3.327 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001086121740 1359002238 /nfs/dbraw/zinc/00/22/38/1359002238.db2.gz HNXDEGWHSMNUAO-RLFYNMQTSA-N 2 2 348.450 3.422 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926437 1359251556 /nfs/dbraw/zinc/25/15/56/1359251556.db2.gz YMEWKQCSYYGYHZ-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926437 1359251560 /nfs/dbraw/zinc/25/15/60/1359251560.db2.gz YMEWKQCSYYGYHZ-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946006 1359266926 /nfs/dbraw/zinc/26/69/26/1359266926.db2.gz NOKRFHMCINQIMM-QZTJIDSGSA-N 2 2 346.519 3.193 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@@H+]1CC=C(C)C ZINC001087571794 1359537073 /nfs/dbraw/zinc/53/70/73/1359537073.db2.gz MKRNSYNBAKUYBL-ZWKOTPCHSA-N 2 2 340.471 3.192 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@H+]1CC=C(C)C ZINC001087571794 1359537076 /nfs/dbraw/zinc/53/70/76/1359537076.db2.gz MKRNSYNBAKUYBL-ZWKOTPCHSA-N 2 2 340.471 3.192 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124729 1359764871 /nfs/dbraw/zinc/76/48/71/1359764871.db2.gz YHIKPWVNPHZNPH-QRQLOZEOSA-N 2 2 346.519 3.051 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001088124729 1359764876 /nfs/dbraw/zinc/76/48/76/1359764876.db2.gz YHIKPWVNPHZNPH-QRQLOZEOSA-N 2 2 346.519 3.051 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088356008 1359839339 /nfs/dbraw/zinc/83/93/39/1359839339.db2.gz NXGZRONONFYGOE-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089415734 1360409849 /nfs/dbraw/zinc/40/98/49/1360409849.db2.gz BRLBMAZWPSLTQP-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC(C)(C)C1 ZINC001089415734 1360409850 /nfs/dbraw/zinc/40/98/50/1360409850.db2.gz BRLBMAZWPSLTQP-KRWDZBQOSA-N 2 2 348.535 3.334 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001184532848 1387485464 /nfs/dbraw/zinc/48/54/64/1387485464.db2.gz BXVFYYDQBXUGHV-ZBKUBXTQSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001184532848 1387485467 /nfs/dbraw/zinc/48/54/67/1387485467.db2.gz BXVFYYDQBXUGHV-ZBKUBXTQSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C[NH2+]C/C=C\Cl ZINC001184652998 1387503677 /nfs/dbraw/zinc/50/36/77/1387503677.db2.gz QGNFCYDQGAPLCK-HJHBSRAZSA-N 2 2 346.862 3.003 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCCF)[C@@H](C)C2)c(C)[nH+]1 ZINC001184851060 1387549212 /nfs/dbraw/zinc/54/92/12/1387549212.db2.gz JIJUYARFAIJGJJ-WMLDXEAASA-N 2 2 335.467 3.054 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049229 1363594218 /nfs/dbraw/zinc/59/42/18/1363594218.db2.gz PJFSMLBYNFAPAM-INIZCTEOSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049229 1363594221 /nfs/dbraw/zinc/59/42/21/1363594221.db2.gz PJFSMLBYNFAPAM-INIZCTEOSA-N 2 2 334.508 3.139 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157912 1363661821 /nfs/dbraw/zinc/66/18/21/1363661821.db2.gz BEVSVDNKBYRLFC-DUMMIQTOSA-N 2 2 346.519 3.236 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099157912 1363661823 /nfs/dbraw/zinc/66/18/23/1363661823.db2.gz BEVSVDNKBYRLFC-DUMMIQTOSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251190 1363713393 /nfs/dbraw/zinc/71/33/93/1363713393.db2.gz HJQPFSBDPRNMGB-SJORKVTESA-N 2 2 334.508 3.241 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251190 1363713397 /nfs/dbraw/zinc/71/33/97/1363713397.db2.gz HJQPFSBDPRNMGB-SJORKVTESA-N 2 2 334.508 3.241 20 0 EGADLP CCCCC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428911 1364110194 /nfs/dbraw/zinc/11/01/94/1364110194.db2.gz RUULQUFKLAEMIN-DAWZGUTISA-N 2 2 334.508 3.145 20 0 EGADLP CC(C)CCC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446273 1364117546 /nfs/dbraw/zinc/11/75/46/1364117546.db2.gz XSYZGIUAULYWQK-UHFFFAOYSA-N 2 2 328.460 3.097 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001101063535 1364397825 /nfs/dbraw/zinc/39/78/25/1364397825.db2.gz HLYXGBHXZXBZDI-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546519 1364610483 /nfs/dbraw/zinc/61/04/83/1364610483.db2.gz DZSYGIAAVGENCB-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546519 1364610486 /nfs/dbraw/zinc/61/04/86/1364610486.db2.gz DZSYGIAAVGENCB-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073273 1364838143 /nfs/dbraw/zinc/83/81/43/1364838143.db2.gz PZWFJQFGKZWIFY-QRVBRYPASA-N 2 2 348.535 3.201 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073273 1364838144 /nfs/dbraw/zinc/83/81/44/1364838144.db2.gz PZWFJQFGKZWIFY-QRVBRYPASA-N 2 2 348.535 3.201 20 0 EGADLP CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073141 1364838257 /nfs/dbraw/zinc/83/82/57/1364838257.db2.gz JORYDIXOJWBQFT-QRVBRYPASA-N 2 2 346.519 3.121 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102073141 1364838258 /nfs/dbraw/zinc/83/82/58/1364838258.db2.gz JORYDIXOJWBQFT-QRVBRYPASA-N 2 2 346.519 3.121 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517162 1365608498 /nfs/dbraw/zinc/60/84/98/1365608498.db2.gz ATMDTAWAXJWZOQ-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517162 1365608501 /nfs/dbraw/zinc/60/85/01/1365608501.db2.gz ATMDTAWAXJWZOQ-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517162 1365608503 /nfs/dbraw/zinc/60/85/03/1365608503.db2.gz ATMDTAWAXJWZOQ-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517162 1365608505 /nfs/dbraw/zinc/60/85/05/1365608505.db2.gz ATMDTAWAXJWZOQ-RCCFBDPRSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774554 1365778104 /nfs/dbraw/zinc/77/81/04/1365778104.db2.gz GJTSVRIZBKZLKE-RTBURBONSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103774554 1365778107 /nfs/dbraw/zinc/77/81/07/1365778107.db2.gz GJTSVRIZBKZLKE-RTBURBONSA-N 2 2 348.535 3.174 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103776071 1365779304 /nfs/dbraw/zinc/77/93/04/1365779304.db2.gz RSARVFWEEBXHSX-IEBWSBKVSA-N 2 2 348.535 3.174 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103776071 1365779306 /nfs/dbraw/zinc/77/93/06/1365779306.db2.gz RSARVFWEEBXHSX-IEBWSBKVSA-N 2 2 348.535 3.174 20 0 EGADLP CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576927 1366541427 /nfs/dbraw/zinc/54/14/27/1366541427.db2.gz ONVXQEOGYHNXEK-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561780 1367044480 /nfs/dbraw/zinc/04/44/80/1367044480.db2.gz REKFIXUHNWCXEP-QWFCFKBJSA-N 2 2 346.519 3.385 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561780 1367044485 /nfs/dbraw/zinc/04/44/85/1367044485.db2.gz REKFIXUHNWCXEP-QWFCFKBJSA-N 2 2 346.519 3.385 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756207 1367343332 /nfs/dbraw/zinc/34/33/32/1367343332.db2.gz TWMQXPISHJONBI-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190756207 1367343336 /nfs/dbraw/zinc/34/33/36/1367343336.db2.gz TWMQXPISHJONBI-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756207 1367343341 /nfs/dbraw/zinc/34/33/41/1367343341.db2.gz TWMQXPISHJONBI-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCCC1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190756207 1367343347 /nfs/dbraw/zinc/34/33/47/1367343347.db2.gz TWMQXPISHJONBI-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816383 1367358299 /nfs/dbraw/zinc/35/82/99/1367358299.db2.gz CNLPDFHQNJAEKZ-MSOLQXFVSA-N 2 2 334.508 3.193 20 0 EGADLP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190816383 1367358306 /nfs/dbraw/zinc/35/83/06/1367358306.db2.gz CNLPDFHQNJAEKZ-MSOLQXFVSA-N 2 2 334.508 3.193 20 0 EGADLP CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799832 1367602954 /nfs/dbraw/zinc/60/29/54/1367602954.db2.gz UTNODFXVJSNOOY-ULQDDVLXSA-N 2 2 346.519 3.093 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292711 1367740775 /nfs/dbraw/zinc/74/07/75/1367740775.db2.gz BIRAOPQSTGZGOT-WBXGCANISA-N 2 2 344.503 3.109 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292711 1367740777 /nfs/dbraw/zinc/74/07/77/1367740777.db2.gz BIRAOPQSTGZGOT-WBXGCANISA-N 2 2 344.503 3.109 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125804 1368161431 /nfs/dbraw/zinc/16/14/31/1368161431.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001111125804 1368161432 /nfs/dbraw/zinc/16/14/32/1368161432.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125804 1368161433 /nfs/dbraw/zinc/16/14/33/1368161433.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001111125804 1368161436 /nfs/dbraw/zinc/16/14/36/1368161436.db2.gz NDSLUUWPVIJMBK-QHQPWCTLSA-N 2 2 344.503 3.056 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449580 1368264443 /nfs/dbraw/zinc/26/44/43/1368264443.db2.gz UVKKVGYLTNNAJV-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194449580 1368264450 /nfs/dbraw/zinc/26/44/50/1368264450.db2.gz UVKKVGYLTNNAJV-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784470 1368460337 /nfs/dbraw/zinc/46/03/37/1368460337.db2.gz LNGNLIVDFBSTNF-BJLQDIEVSA-N 2 2 346.519 3.241 20 0 EGADLP CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001111784470 1368460339 /nfs/dbraw/zinc/46/03/39/1368460339.db2.gz LNGNLIVDFBSTNF-BJLQDIEVSA-N 2 2 346.519 3.241 20 0 EGADLP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001112418342 1368834207 /nfs/dbraw/zinc/83/42/07/1368834207.db2.gz VPZNJQWRRIAVCI-BJLQDIEVSA-N 2 2 346.519 3.099 20 0 EGADLP CC[NH+](CC)[C@H](CNCc1c[nH+]ccc1N(C)C)c1ccsc1 ZINC001199246408 1369197400 /nfs/dbraw/zinc/19/74/00/1369197400.db2.gz DWOBJRGDABELKJ-GOSISDBHSA-N 2 2 332.517 3.382 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001199266298 1369200278 /nfs/dbraw/zinc/20/02/78/1369200278.db2.gz GXFPGUZONLEUAZ-QZTJIDSGSA-N 2 2 345.531 3.374 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001199266298 1369200282 /nfs/dbraw/zinc/20/02/82/1369200282.db2.gz GXFPGUZONLEUAZ-QZTJIDSGSA-N 2 2 345.531 3.374 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001113167452 1369239417 /nfs/dbraw/zinc/23/94/17/1369239417.db2.gz NUEZXTCOIIAJPE-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP C[NH+](C)[C@]1(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872950 1369441938 /nfs/dbraw/zinc/44/19/38/1369441938.db2.gz XVBFXLKPECWDRJ-ICSRJNTNSA-N 2 2 347.572 3.066 20 0 EGADLP C[NH+](C)[C@]1(CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCSC1 ZINC001200872950 1369441941 /nfs/dbraw/zinc/44/19/41/1369441941.db2.gz XVBFXLKPECWDRJ-ICSRJNTNSA-N 2 2 347.572 3.066 20 0 EGADLP CC[C@H](OC1CCCC1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001325564869 1388003805 /nfs/dbraw/zinc/00/38/05/1388003805.db2.gz NVCMPTHUNGUUAT-KRWDZBQOSA-N 2 2 328.416 3.252 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201260476 1369506630 /nfs/dbraw/zinc/50/66/30/1369506630.db2.gz OBLODXAHXDBIMD-OAHLLOKOSA-N 2 2 342.487 3.439 20 0 EGADLP CCCCOCC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201711186 1369608895 /nfs/dbraw/zinc/60/88/95/1369608895.db2.gz COOCVNLMABCEJC-UHFFFAOYSA-N 2 2 347.503 3.018 20 0 EGADLP CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001202930880 1369929111 /nfs/dbraw/zinc/92/91/11/1369929111.db2.gz ZTRPVCFRDPBFPO-DLBZAZTESA-N 2 2 340.471 3.073 20 0 EGADLP CCc1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001203252411 1370041458 /nfs/dbraw/zinc/04/14/58/1370041458.db2.gz UVTHCRRHQJICAV-KRWDZBQOSA-N 2 2 327.428 3.404 20 0 EGADLP CCc1[nH]c(C[N@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001203252411 1370041463 /nfs/dbraw/zinc/04/14/63/1370041463.db2.gz UVTHCRRHQJICAV-KRWDZBQOSA-N 2 2 327.428 3.404 20 0 EGADLP CC[NH+](CC)CCn1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cn1 ZINC001203253933 1370042565 /nfs/dbraw/zinc/04/25/65/1370042565.db2.gz UKXPGJNXBHLGJO-UHFFFAOYSA-N 2 2 332.839 3.270 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(OC)c1 ZINC001203484428 1370142008 /nfs/dbraw/zinc/14/20/08/1370142008.db2.gz NGCUDDJZLBRZGO-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(OC)c1 ZINC001203484428 1370142010 /nfs/dbraw/zinc/14/20/10/1370142010.db2.gz NGCUDDJZLBRZGO-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC001203803160 1370271984 /nfs/dbraw/zinc/27/19/84/1370271984.db2.gz MXUSCKWECUHHRX-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC001203803160 1370271989 /nfs/dbraw/zinc/27/19/89/1370271989.db2.gz MXUSCKWECUHHRX-DLBZAZTESA-N 2 2 342.314 3.204 20 0 EGADLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC001203890605 1370301199 /nfs/dbraw/zinc/30/11/99/1370301199.db2.gz KGEMMESKCQMHNN-UHFFFAOYSA-N 2 2 344.499 3.235 20 0 EGADLP C[C@@H]([NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC001204068545 1370366431 /nfs/dbraw/zinc/36/64/31/1370366431.db2.gz HJFQFJOPUIPYRD-QGZVFWFLSA-N 2 2 340.471 3.005 20 0 EGADLP Cn1c2ccccc2[nH+]c1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204336544 1370447442 /nfs/dbraw/zinc/44/74/42/1370447442.db2.gz OCYNXDQLSCJJDI-UHFFFAOYSA-N 2 2 336.439 3.192 20 0 EGADLP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)o1 ZINC001204391763 1370464499 /nfs/dbraw/zinc/46/44/99/1370464499.db2.gz USVMBFPFAHDNCX-UHFFFAOYSA-N 2 2 344.455 3.302 20 0 EGADLP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)o1 ZINC001204391763 1370464503 /nfs/dbraw/zinc/46/45/03/1370464503.db2.gz USVMBFPFAHDNCX-UHFFFAOYSA-N 2 2 344.455 3.302 20 0 EGADLP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627656 1370621328 /nfs/dbraw/zinc/62/13/28/1370621328.db2.gz KXMCNTDNYAJQJC-OAHLLOKOSA-N 2 2 346.450 3.105 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115641697 1370633228 /nfs/dbraw/zinc/63/32/28/1370633228.db2.gz FANNMWVBLMYHIL-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115642111 1370633860 /nfs/dbraw/zinc/63/38/60/1370633860.db2.gz YOKBYMXFVKTYBZ-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655614 1370641686 /nfs/dbraw/zinc/64/16/86/1370641686.db2.gz AHIQFKKGWAHLLZ-ONEGZZNKSA-N 2 2 332.492 3.038 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655852 1370641883 /nfs/dbraw/zinc/64/18/83/1370641883.db2.gz NMVSRBLLISKVGT-SNAWJCMRSA-N 2 2 346.519 3.428 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655784 1370641930 /nfs/dbraw/zinc/64/19/30/1370641930.db2.gz KFDMQEWWDXISGC-UHFFFAOYSA-N 2 2 334.508 3.118 20 0 EGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001205123910 1370656668 /nfs/dbraw/zinc/65/66/68/1370656668.db2.gz GZLWEGDLTAFOHM-LLVKDONJSA-N 2 2 349.219 3.364 20 0 EGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001205123910 1370656671 /nfs/dbraw/zinc/65/66/71/1370656671.db2.gz GZLWEGDLTAFOHM-LLVKDONJSA-N 2 2 349.219 3.364 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)ccc1F ZINC001205171560 1370669039 /nfs/dbraw/zinc/66/90/39/1370669039.db2.gz HRQURCPYWATYPD-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)ccc1F ZINC001205171560 1370669041 /nfs/dbraw/zinc/66/90/41/1370669041.db2.gz HRQURCPYWATYPD-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)ccc1F ZINC001205171560 1370669042 /nfs/dbraw/zinc/66/90/42/1370669042.db2.gz HRQURCPYWATYPD-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)ccc1F ZINC001205171560 1370669046 /nfs/dbraw/zinc/66/90/46/1370669046.db2.gz HRQURCPYWATYPD-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP C[C@@]1([NH3+])CCC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)CC1 ZINC001205273013 1370702778 /nfs/dbraw/zinc/70/27/78/1370702778.db2.gz CEVHIHCUVRIQEN-MRXNPFEDSA-N 2 2 342.940 3.490 20 0 EGADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)CC1 ZINC001205273013 1370702783 /nfs/dbraw/zinc/70/27/83/1370702783.db2.gz CEVHIHCUVRIQEN-MRXNPFEDSA-N 2 2 342.940 3.490 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc3cccc(Br)c3n2)C[C@@H]1C[NH3+] ZINC001205318106 1370719884 /nfs/dbraw/zinc/71/98/84/1370719884.db2.gz RUKJFABWTSSCEI-JSGCOSHPSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc3cccc(Br)c3n2)C[C@@H]1C[NH3+] ZINC001205318106 1370719888 /nfs/dbraw/zinc/71/98/88/1370719888.db2.gz RUKJFABWTSSCEI-JSGCOSHPSA-N 2 2 348.288 3.414 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115748740 1370729347 /nfs/dbraw/zinc/72/93/47/1370729347.db2.gz FMPICMIOWOIQRS-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653276 1370828424 /nfs/dbraw/zinc/82/84/24/1370828424.db2.gz SKIFXXRGRAMDLT-CABCVRRESA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@H]1C[NH3+] ZINC001205653276 1370828429 /nfs/dbraw/zinc/82/84/29/1370828429.db2.gz SKIFXXRGRAMDLT-CABCVRRESA-N 3 2 332.879 3.333 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)c2)cc1 ZINC001205889108 1370902060 /nfs/dbraw/zinc/90/20/60/1370902060.db2.gz SKTKOIDYULKQSR-QRWLVFNGSA-N 2 2 338.451 3.309 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)c2)cc1 ZINC001205889108 1370902066 /nfs/dbraw/zinc/90/20/66/1370902066.db2.gz SKTKOIDYULKQSR-QRWLVFNGSA-N 2 2 338.451 3.309 20 0 EGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901336 1370905313 /nfs/dbraw/zinc/90/53/13/1370905313.db2.gz CNYPSTWCBCGAAB-STQMWFEESA-N 2 2 342.940 3.346 20 0 EGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1sc(N2CCCCC2)nc1Cl ZINC001205901336 1370905318 /nfs/dbraw/zinc/90/53/18/1370905318.db2.gz CNYPSTWCBCGAAB-STQMWFEESA-N 2 2 342.940 3.346 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027298 1370942193 /nfs/dbraw/zinc/94/21/93/1370942193.db2.gz VUWJIZUTDMVLED-CABCVRRESA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027298 1370942196 /nfs/dbraw/zinc/94/21/96/1370942196.db2.gz VUWJIZUTDMVLED-CABCVRRESA-N 3 2 332.879 3.333 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1[NH3+] ZINC001206049927 1370948727 /nfs/dbraw/zinc/94/87/27/1370948727.db2.gz VDSPRECEVLKYMN-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C[C@H]1[NH3+] ZINC001206049927 1370948738 /nfs/dbraw/zinc/94/87/38/1370948738.db2.gz VDSPRECEVLKYMN-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2c1 ZINC001206173639 1370980380 /nfs/dbraw/zinc/98/03/80/1370980380.db2.gz IXONXWVLQBWVMG-HUUCEWRRSA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2c1 ZINC001206173639 1370980386 /nfs/dbraw/zinc/98/03/86/1370980386.db2.gz IXONXWVLQBWVMG-HUUCEWRRSA-N 2 2 337.826 3.158 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001206327416 1371023275 /nfs/dbraw/zinc/02/32/75/1371023275.db2.gz WGJQNOGLOIULLU-GOSISDBHSA-N 3 2 332.879 3.477 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001206327416 1371023283 /nfs/dbraw/zinc/02/32/83/1371023283.db2.gz WGJQNOGLOIULLU-GOSISDBHSA-N 3 2 332.879 3.477 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427572 1371051328 /nfs/dbraw/zinc/05/13/28/1371051328.db2.gz IYRKURBSNYQLBD-MSOLQXFVSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812204 1371177915 /nfs/dbraw/zinc/17/79/15/1371177915.db2.gz XWUQGTDEKVXUQP-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206812204 1371177916 /nfs/dbraw/zinc/17/79/16/1371177916.db2.gz XWUQGTDEKVXUQP-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](n2cncn2)C1 ZINC001118493241 1371189488 /nfs/dbraw/zinc/18/94/88/1371189488.db2.gz RKSLBEVVWWNTNP-FPAYPSAMSA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](n2cncn2)C1 ZINC001118493241 1371189492 /nfs/dbraw/zinc/18/94/92/1371189492.db2.gz RKSLBEVVWWNTNP-FPAYPSAMSA-N 2 2 331.508 3.004 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001326236951 1388131543 /nfs/dbraw/zinc/13/15/43/1388131543.db2.gz SQMUYZQLDMCSOF-OAHLLOKOSA-N 2 2 336.329 3.060 20 0 EGADLP C[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NC(=O)OC(C)(C)C ZINC001119327612 1371313619 /nfs/dbraw/zinc/31/36/19/1371313619.db2.gz IMOPUVLVLOVNGU-NVXWUHKLSA-N 2 2 344.459 3.127 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001326236951 1388131550 /nfs/dbraw/zinc/13/15/50/1388131550.db2.gz SQMUYZQLDMCSOF-OAHLLOKOSA-N 2 2 336.329 3.060 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCC4CCCCC4)C[C@@H]3C2)cn1 ZINC001207256635 1371343040 /nfs/dbraw/zinc/34/30/40/1371343040.db2.gz IZPJLVGCPHGEDM-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCC4CCCCC4)C[C@@H]3C2)cn1 ZINC001207256635 1371343045 /nfs/dbraw/zinc/34/30/45/1371343045.db2.gz IZPJLVGCPHGEDM-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCC4CCCCC4)C[C@@H]3C2)cn1 ZINC001207256635 1371343052 /nfs/dbraw/zinc/34/30/52/1371343052.db2.gz IZPJLVGCPHGEDM-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCC4CCCCC4)C[C@@H]3C2)cn1 ZINC001207256635 1371343054 /nfs/dbraw/zinc/34/30/54/1371343054.db2.gz IZPJLVGCPHGEDM-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP Cc1nc(Cl)c(CC[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(Cl)n1 ZINC001207340441 1371365687 /nfs/dbraw/zinc/36/56/87/1371365687.db2.gz GJBZJMYMMGBZCO-UHFFFAOYSA-N 2 2 345.318 3.439 20 0 EGADLP Cc1nc(Cl)c(CC[N@H+](C(C)C)C2CC[NH+](C)CC2)c(Cl)n1 ZINC001207340441 1371365690 /nfs/dbraw/zinc/36/56/90/1371365690.db2.gz GJBZJMYMMGBZCO-UHFFFAOYSA-N 2 2 345.318 3.439 20 0 EGADLP CC1(C)C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356867 1371372461 /nfs/dbraw/zinc/37/24/61/1371372461.db2.gz KTXUDADVLXTMKW-BRWVUGGUSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356867 1371372468 /nfs/dbraw/zinc/37/24/68/1371372468.db2.gz KTXUDADVLXTMKW-BRWVUGGUSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CCO1 ZINC001207356867 1371372471 /nfs/dbraw/zinc/37/24/71/1371372471.db2.gz KTXUDADVLXTMKW-BRWVUGGUSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CCO1 ZINC001207356867 1371372473 /nfs/dbraw/zinc/37/24/73/1371372473.db2.gz KTXUDADVLXTMKW-BRWVUGGUSA-N 2 2 349.544 3.245 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCCCC1 ZINC001120084103 1371481508 /nfs/dbraw/zinc/48/15/08/1371481508.db2.gz ASXGIXRYZMIFCE-UHFFFAOYSA-N 2 2 348.535 3.198 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048320 1371579781 /nfs/dbraw/zinc/57/97/81/1371579781.db2.gz GGHPLFCCTCNQHO-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459527 1371583321 /nfs/dbraw/zinc/58/33/21/1371583321.db2.gz MYCIGQLKZKNLPX-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001120459527 1371583325 /nfs/dbraw/zinc/58/33/25/1371583325.db2.gz MYCIGQLKZKNLPX-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1cc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606453 1371838494 /nfs/dbraw/zinc/83/84/94/1371838494.db2.gz GFZAXSIKBOLXDW-SFHVURJKSA-N 3 2 338.499 3.007 20 0 EGADLP Cc1cc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606453 1371838498 /nfs/dbraw/zinc/83/84/98/1371838498.db2.gz GFZAXSIKBOLXDW-SFHVURJKSA-N 3 2 338.499 3.007 20 0 EGADLP Cc1cc2ccccc2nc1N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208618358 1371843084 /nfs/dbraw/zinc/84/30/84/1371843084.db2.gz XNXISXJWLDGTCL-SFHVURJKSA-N 2 2 338.499 3.007 20 0 EGADLP Cc1cc2ccccc2nc1N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208618358 1371843088 /nfs/dbraw/zinc/84/30/88/1371843088.db2.gz XNXISXJWLDGTCL-SFHVURJKSA-N 2 2 338.499 3.007 20 0 EGADLP O=C1CCC[C@@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946958 1371959380 /nfs/dbraw/zinc/95/93/80/1371959380.db2.gz JLVDTCSRTTXXDN-ZCNNSNEGSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946958 1371959385 /nfs/dbraw/zinc/95/93/85/1371959385.db2.gz JLVDTCSRTTXXDN-ZCNNSNEGSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946958 1371959387 /nfs/dbraw/zinc/95/93/87/1371959387.db2.gz JLVDTCSRTTXXDN-ZCNNSNEGSA-N 2 2 326.484 3.200 20 0 EGADLP O=C1CCC[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208946958 1371959390 /nfs/dbraw/zinc/95/93/90/1371959390.db2.gz JLVDTCSRTTXXDN-ZCNNSNEGSA-N 2 2 326.484 3.200 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452203 1372110245 /nfs/dbraw/zinc/11/02/45/1372110245.db2.gz HJZUNOORCWRDAU-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452203 1372110248 /nfs/dbraw/zinc/11/02/48/1372110248.db2.gz HJZUNOORCWRDAU-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCN(c2cccc(F)c2Nc2ccc3[nH]c[nH+]c3c2)CC1 ZINC001209852074 1372213076 /nfs/dbraw/zinc/21/30/76/1372213076.db2.gz UBZCUCHPSYNGNH-UHFFFAOYSA-N 2 2 325.391 3.197 20 0 EGADLP C[NH+]1CCC(n2cc(Nc3cc(Cl)c4[nH+]ccn4c3)cn2)CC1 ZINC001210754161 1372419496 /nfs/dbraw/zinc/41/94/96/1372419496.db2.gz OFDZZZCUXUUKMM-UHFFFAOYSA-N 2 2 330.823 3.195 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3ccc4c(c3)CC[NH2+]C4)n2)c[nH+]1 ZINC001217179128 1373400518 /nfs/dbraw/zinc/40/05/18/1373400518.db2.gz RXBNGHHONAMOSB-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP Cc1cc(Cl)ccc1-c1nnc(-c2ccc([C@H]([NH3+])C[NH3+])cc2)o1 ZINC001217698681 1373489862 /nfs/dbraw/zinc/48/98/62/1373489862.db2.gz FQIOSMOWCUGWJO-OAHLLOKOSA-N 2 2 328.803 3.324 20 0 EGADLP CCc1cccc(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131560663 1373721241 /nfs/dbraw/zinc/72/12/41/1373721241.db2.gz YFNZZQWWBIVBPL-UHFFFAOYSA-N 2 2 325.456 3.089 20 0 EGADLP Fc1c(Cl)cc(Cl)cc1C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222415225 1373841568 /nfs/dbraw/zinc/84/15/68/1373841568.db2.gz TVYOCUNZNZQRGP-UHFFFAOYSA-N 2 2 347.261 3.335 20 0 EGADLP Fc1c(Cl)cc(Cl)cc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222415225 1373841573 /nfs/dbraw/zinc/84/15/73/1373841573.db2.gz TVYOCUNZNZQRGP-UHFFFAOYSA-N 2 2 347.261 3.335 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001225961484 1375179895 /nfs/dbraw/zinc/17/98/95/1375179895.db2.gz ONCCGUKVJWMWBT-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782097 1375560500 /nfs/dbraw/zinc/56/05/00/1375560500.db2.gz JGPVZSBRUMDSMN-FDICQLOXSA-N 2 2 346.519 3.163 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001228529562 1375587505 /nfs/dbraw/zinc/58/75/05/1375587505.db2.gz UDWFHPVTKCDNBG-LSXCDAKCSA-N 2 2 344.503 3.203 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001228529624 1375588522 /nfs/dbraw/zinc/58/85/22/1375588522.db2.gz WLJWGOVTNIQTFW-BZUAXINKSA-N 2 2 346.519 3.283 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875237 1375615961 /nfs/dbraw/zinc/61/59/61/1375615961.db2.gz VPGCUQNYHLZJSP-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875237 1375615967 /nfs/dbraw/zinc/61/59/67/1375615967.db2.gz VPGCUQNYHLZJSP-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228851741 1375693625 /nfs/dbraw/zinc/69/36/25/1375693625.db2.gz BWCIZCKDVNHIQU-CGTJXYLNSA-N 2 2 334.508 3.287 20 0 EGADLP COC(=O)c1cccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001231430501 1376240089 /nfs/dbraw/zinc/24/00/89/1376240089.db2.gz VYEIJQLPNIQUHS-UHFFFAOYSA-N 2 2 345.487 3.097 20 0 EGADLP COC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)n1 ZINC001231430501 1376240095 /nfs/dbraw/zinc/24/00/95/1376240095.db2.gz VYEIJQLPNIQUHS-UHFFFAOYSA-N 2 2 345.487 3.097 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227042 1376424076 /nfs/dbraw/zinc/42/40/76/1376424076.db2.gz AHPJYQYNDNOUHA-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001232509907 1376471618 /nfs/dbraw/zinc/47/16/18/1376471618.db2.gz YANSLYGAJVZFBZ-GJZGRUSLSA-N 2 2 331.460 3.033 20 0 EGADLP C[C@@H](CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)n1cc[nH+]c1 ZINC001134499031 1376571152 /nfs/dbraw/zinc/57/11/52/1376571152.db2.gz UYDCXBTYIIYEJA-INIZCTEOSA-N 2 2 342.487 3.038 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001134543710 1376582875 /nfs/dbraw/zinc/58/28/75/1376582875.db2.gz ARPMDNGOIRACAA-CVEARBPZSA-N 2 2 348.535 3.432 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001134543710 1376582880 /nfs/dbraw/zinc/58/28/80/1376582880.db2.gz ARPMDNGOIRACAA-CVEARBPZSA-N 2 2 348.535 3.432 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1O ZINC001233228538 1376593563 /nfs/dbraw/zinc/59/35/63/1376593563.db2.gz CPWYSUYEZIHCTC-IAGOWNOFSA-N 2 2 328.481 3.326 20 0 EGADLP CSc1cccc(Cl)c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001233352484 1376625674 /nfs/dbraw/zinc/62/56/74/1376625674.db2.gz GZHYAHKAZKHIQY-UHFFFAOYSA-N 2 2 341.952 3.131 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001134729121 1376681846 /nfs/dbraw/zinc/68/18/46/1376681846.db2.gz FUQVONOHYXNYEY-CABCVRRESA-N 2 2 336.524 3.236 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)ccc1-n1cc[nH+]c1 ZINC001234033292 1376757584 /nfs/dbraw/zinc/75/75/84/1376757584.db2.gz RFVRQUUZLVTOQU-MRXNPFEDSA-N 2 2 339.361 3.450 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccsc1 ZINC001134970207 1376817981 /nfs/dbraw/zinc/81/79/81/1376817981.db2.gz QDPBLARPJDRIOH-KGLIPLIRSA-N 2 2 342.468 3.083 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968964 1376818824 /nfs/dbraw/zinc/81/88/24/1376818824.db2.gz KHPYDAKPTKRKDX-OKQSBHACSA-N 2 2 328.460 3.177 20 0 EGADLP Fc1ccc(-c2ccccc2C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235119784 1376850636 /nfs/dbraw/zinc/85/06/36/1376850636.db2.gz QYRADUNBDNPXKQ-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(-c2ccccc2C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235119784 1376850659 /nfs/dbraw/zinc/85/06/59/1376850659.db2.gz QYRADUNBDNPXKQ-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235254512 1376864060 /nfs/dbraw/zinc/86/40/60/1376864060.db2.gz JNUGFZFQHQJNLP-LNLFQRSKSA-N 2 2 326.415 3.326 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235254512 1376864068 /nfs/dbraw/zinc/86/40/68/1376864068.db2.gz JNUGFZFQHQJNLP-LNLFQRSKSA-N 2 2 326.415 3.326 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702923 1376884220 /nfs/dbraw/zinc/88/42/20/1376884220.db2.gz XDGJRVYKIJFUIO-UHFFFAOYSA-N 3 2 338.499 3.392 20 0 EGADLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894549 1376912616 /nfs/dbraw/zinc/91/26/16/1376912616.db2.gz XSVGRBLVXADLKO-ABAIWWIYSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001235894549 1376912598 /nfs/dbraw/zinc/91/25/98/1376912598.db2.gz XSVGRBLVXADLKO-ABAIWWIYSA-N 2 2 334.261 3.309 20 0 EGADLP c1cc2c(cccc2C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC001236737358 1376964698 /nfs/dbraw/zinc/96/46/98/1376964698.db2.gz JOQIHTRMOUQSMD-ROUUACIJSA-N 2 2 333.435 3.392 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001238656153 1377000034 /nfs/dbraw/zinc/00/00/34/1377000034.db2.gz HXDYIPKJKAGNTB-UHFFFAOYSA-N 2 2 337.467 3.427 20 0 EGADLP Cc1ccc(C)c(Nc2cc[nH+]cc2CNC(=O)OC(C)(C)C)[nH+]1 ZINC001249817944 1377079551 /nfs/dbraw/zinc/07/95/51/1377079551.db2.gz OXIVVISDHIZSKU-UHFFFAOYSA-N 2 2 328.416 3.284 20 0 EGADLP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001253838912 1377102267 /nfs/dbraw/zinc/10/22/67/1377102267.db2.gz LOGSGUQXDJKFIO-CTNGQTDRSA-N 2 2 342.483 3.017 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254510481 1377105307 /nfs/dbraw/zinc/10/53/07/1377105307.db2.gz WUMTUZFGKBVGIA-IBGZPJMESA-N 3 2 333.495 3.172 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254510481 1377105311 /nfs/dbraw/zinc/10/53/11/1377105311.db2.gz WUMTUZFGKBVGIA-IBGZPJMESA-N 3 2 333.495 3.172 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100783 1377112904 /nfs/dbraw/zinc/11/29/04/1377112904.db2.gz FCDUAHOHEYEBQH-BBWFWOEESA-N 2 2 339.524 3.238 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CCN1C(=O)OC(C)(C)C ZINC001257100783 1377112910 /nfs/dbraw/zinc/11/29/10/1377112910.db2.gz FCDUAHOHEYEBQH-BBWFWOEESA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552224 1377142045 /nfs/dbraw/zinc/14/20/45/1377142045.db2.gz CIQOSBGAMFXHFW-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799793 1377214603 /nfs/dbraw/zinc/21/46/03/1377214603.db2.gz XRVZBHFJOOQZAG-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001136030723 1377304835 /nfs/dbraw/zinc/30/48/35/1377304835.db2.gz BGNTURVJXSAZIY-HUUCEWRRSA-N 2 2 348.535 3.350 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985592 1377450739 /nfs/dbraw/zinc/45/07/39/1377450739.db2.gz NDJBJWHOEWUPPD-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985592 1377450742 /nfs/dbraw/zinc/45/07/42/1377450742.db2.gz NDJBJWHOEWUPPD-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP c1cc(N2CCCC2)oc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001137060869 1377471172 /nfs/dbraw/zinc/47/11/72/1377471172.db2.gz IHUPDBDGWGILDV-UHFFFAOYSA-N 2 2 327.428 3.318 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c(Cl)cncc1Cl)CC2 ZINC001137607125 1377571637 /nfs/dbraw/zinc/57/16/37/1377571637.db2.gz YCAQDKNGKWZVJK-UHFFFAOYSA-N 2 2 343.258 3.018 20 0 EGADLP C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001271591308 1377642386 /nfs/dbraw/zinc/64/23/86/1377642386.db2.gz JKQQMYQAAWRMLA-SJLPKXTDSA-N 2 2 340.471 3.074 20 0 EGADLP COc1ccc(F)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1 ZINC001137993292 1377662170 /nfs/dbraw/zinc/66/21/70/1377662170.db2.gz JIXCXYSQQYNZFZ-UHFFFAOYSA-N 2 2 329.419 3.277 20 0 EGADLP CC(=O)Oc1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001138040824 1377670005 /nfs/dbraw/zinc/67/00/05/1377670005.db2.gz ZHPMCQRENMSDSO-UHFFFAOYSA-N 2 2 342.483 3.452 20 0 EGADLP CC(=O)Oc1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001138040824 1377670006 /nfs/dbraw/zinc/67/00/06/1377670006.db2.gz ZHPMCQRENMSDSO-UHFFFAOYSA-N 2 2 342.483 3.452 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cnc5[nH]ccc5c4)C[C@H]3C2)c1 ZINC001138744558 1377778511 /nfs/dbraw/zinc/77/85/11/1377778511.db2.gz NNFIFXXAFFAHRN-IRXDYDNUSA-N 2 2 338.480 3.188 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC001138911975 1377802586 /nfs/dbraw/zinc/80/25/86/1377802586.db2.gz SAYZNEQLFAXCSM-UHFFFAOYSA-N 2 2 333.382 3.314 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185399 1377845831 /nfs/dbraw/zinc/84/58/31/1377845831.db2.gz VJFLQEGUWMHBPZ-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185399 1377845832 /nfs/dbraw/zinc/84/58/32/1377845832.db2.gz VJFLQEGUWMHBPZ-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185399 1377845833 /nfs/dbraw/zinc/84/58/33/1377845833.db2.gz VJFLQEGUWMHBPZ-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185399 1377845834 /nfs/dbraw/zinc/84/58/34/1377845834.db2.gz VJFLQEGUWMHBPZ-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCc4ncnc(C5CC5)c4CC3)cc2)c[nH+]1 ZINC001139359432 1377873202 /nfs/dbraw/zinc/87/32/02/1377873202.db2.gz DJRNVXDKUAXINB-UHFFFAOYSA-N 2 2 345.450 3.141 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCc4ncnc(C5CC5)c4CC3)cc2)c[nH+]1 ZINC001139359432 1377873208 /nfs/dbraw/zinc/87/32/08/1377873208.db2.gz DJRNVXDKUAXINB-UHFFFAOYSA-N 2 2 345.450 3.141 20 0 EGADLP COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356520 1377873756 /nfs/dbraw/zinc/87/37/56/1377873756.db2.gz NSSDHQYXHAUVSQ-UHFFFAOYSA-N 2 2 347.418 3.217 20 0 EGADLP COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356520 1377873761 /nfs/dbraw/zinc/87/37/61/1377873761.db2.gz NSSDHQYXHAUVSQ-UHFFFAOYSA-N 2 2 347.418 3.217 20 0 EGADLP Brc1ccc2cc(C[N@H+]3CCc4[nH+]ccn4CC3)[nH]c2c1 ZINC001139473195 1377890521 /nfs/dbraw/zinc/89/05/21/1377890521.db2.gz MHZQNTZOMDRANM-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Brc1ccc2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)[nH]c2c1 ZINC001139473195 1377890522 /nfs/dbraw/zinc/89/05/22/1377890522.db2.gz MHZQNTZOMDRANM-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP C[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CCCCC1 ZINC001139765483 1377948125 /nfs/dbraw/zinc/94/81/25/1377948125.db2.gz ZIWGXZFLCJBLNV-UHFFFAOYSA-N 2 2 346.515 3.410 20 0 EGADLP C[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CCCCC1 ZINC001139765483 1377948126 /nfs/dbraw/zinc/94/81/26/1377948126.db2.gz ZIWGXZFLCJBLNV-UHFFFAOYSA-N 2 2 346.515 3.410 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccnc(F)c3)CC2)c2ccccc2[nH+]1 ZINC001139831028 1377958181 /nfs/dbraw/zinc/95/81/81/1377958181.db2.gz PZEFALXGCCQWLB-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP Clc1ncnc2[nH]cc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c21 ZINC001139936584 1377979949 /nfs/dbraw/zinc/97/99/49/1377979949.db2.gz GPKBYXODQCKIBU-OAHLLOKOSA-N 2 2 347.894 3.403 20 0 EGADLP Clc1ncnc2[nH]cc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)c21 ZINC001139936584 1377979951 /nfs/dbraw/zinc/97/99/51/1377979951.db2.gz GPKBYXODQCKIBU-OAHLLOKOSA-N 2 2 347.894 3.403 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001140027597 1377992343 /nfs/dbraw/zinc/99/23/43/1377992343.db2.gz RLQRUNWNDSMJRQ-SFHVURJKSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001140027597 1377992345 /nfs/dbraw/zinc/99/23/45/1377992345.db2.gz RLQRUNWNDSMJRQ-SFHVURJKSA-N 2 2 349.438 3.014 20 0 EGADLP CCCC[N@H+](CC(=O)OCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027647 1377993292 /nfs/dbraw/zinc/99/32/92/1377993292.db2.gz TXXMDUBJUQXGLL-UHFFFAOYSA-N 2 2 329.444 3.346 20 0 EGADLP CCCC[N@@H+](CC(=O)OCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027647 1377993294 /nfs/dbraw/zinc/99/32/94/1377993294.db2.gz TXXMDUBJUQXGLL-UHFFFAOYSA-N 2 2 329.444 3.346 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)nc3)C[C@@H]2C1 ZINC001140403487 1378057601 /nfs/dbraw/zinc/05/76/01/1378057601.db2.gz IJIJAGDUGMNQMM-CALCHBBNSA-N 2 2 340.446 3.056 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)nc3)C[C@@H]2C1 ZINC001140403487 1378057602 /nfs/dbraw/zinc/05/76/02/1378057602.db2.gz IJIJAGDUGMNQMM-CALCHBBNSA-N 2 2 340.446 3.056 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)nc3)C[C@@H]2C1 ZINC001140403487 1378057605 /nfs/dbraw/zinc/05/76/05/1378057605.db2.gz IJIJAGDUGMNQMM-CALCHBBNSA-N 2 2 340.446 3.056 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4F)nc3)C[C@@H]2C1 ZINC001140403487 1378057607 /nfs/dbraw/zinc/05/76/07/1378057607.db2.gz IJIJAGDUGMNQMM-CALCHBBNSA-N 2 2 340.446 3.056 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001140689377 1378115086 /nfs/dbraw/zinc/11/50/86/1378115086.db2.gz WLGHVIVECRRLCO-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)[nH]1 ZINC001140689377 1378115092 /nfs/dbraw/zinc/11/50/92/1378115092.db2.gz WLGHVIVECRRLCO-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001140689377 1378115093 /nfs/dbraw/zinc/11/50/93/1378115093.db2.gz WLGHVIVECRRLCO-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001140689377 1378115099 /nfs/dbraw/zinc/11/50/99/1378115099.db2.gz WLGHVIVECRRLCO-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001140794014 1378137865 /nfs/dbraw/zinc/13/78/65/1378137865.db2.gz UDSSMVKLPBHNRP-UHFFFAOYSA-N 2 2 329.257 3.423 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001140794014 1378137866 /nfs/dbraw/zinc/13/78/66/1378137866.db2.gz UDSSMVKLPBHNRP-UHFFFAOYSA-N 2 2 329.257 3.423 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001140805345 1378143693 /nfs/dbraw/zinc/14/36/93/1378143693.db2.gz BMWQRZDOWMYNJE-UTKZUKDTSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001140805345 1378143698 /nfs/dbraw/zinc/14/36/98/1378143698.db2.gz BMWQRZDOWMYNJE-UTKZUKDTSA-N 2 2 332.451 3.269 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807292 1378147238 /nfs/dbraw/zinc/14/72/38/1378147238.db2.gz UGKCLJOGYLIRSM-HNNXBMFYSA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807292 1378147239 /nfs/dbraw/zinc/14/72/39/1378147239.db2.gz UGKCLJOGYLIRSM-HNNXBMFYSA-N 2 2 344.459 3.442 20 0 EGADLP Cn1cc2c(cccc2C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001142468122 1378446376 /nfs/dbraw/zinc/44/63/76/1378446376.db2.gz CGEZKBYYRDERJH-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP Cn1cc2c(cccc2C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001142468122 1378446379 /nfs/dbraw/zinc/44/63/79/1378446379.db2.gz CGEZKBYYRDERJH-UHFFFAOYSA-N 2 2 331.423 3.391 20 0 EGADLP COC(=O)c1ccc2[nH]cc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c2c1 ZINC001143242662 1378568548 /nfs/dbraw/zinc/56/85/48/1378568548.db2.gz IRSQRMPXRBCQKK-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP COC(=O)c1ccc2[nH]cc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c2c1 ZINC001143242662 1378568549 /nfs/dbraw/zinc/56/85/49/1378568549.db2.gz IRSQRMPXRBCQKK-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001143297675 1378575617 /nfs/dbraw/zinc/57/56/17/1378575617.db2.gz AWFHAUAUJCBDRG-NEPJUHHUSA-N 2 2 346.368 3.237 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001143297675 1378575620 /nfs/dbraw/zinc/57/56/20/1378575620.db2.gz AWFHAUAUJCBDRG-NEPJUHHUSA-N 2 2 346.368 3.237 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001143297675 1378575624 /nfs/dbraw/zinc/57/56/24/1378575624.db2.gz AWFHAUAUJCBDRG-NEPJUHHUSA-N 2 2 346.368 3.237 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001143297675 1378575629 /nfs/dbraw/zinc/57/56/29/1378575629.db2.gz AWFHAUAUJCBDRG-NEPJUHHUSA-N 2 2 346.368 3.237 20 0 EGADLP CC[N@H+](Cc1cc(Br)c(C)cn1)C1CC[NH+](C)CC1 ZINC001143660861 1378631928 /nfs/dbraw/zinc/63/19/28/1378631928.db2.gz GYJWVUADCOQQPJ-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[N@@H+](Cc1cc(Br)c(C)cn1)C1CC[NH+](C)CC1 ZINC001143660861 1378631934 /nfs/dbraw/zinc/63/19/34/1378631934.db2.gz GYJWVUADCOQQPJ-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC(F)(F)F ZINC001143879421 1378656917 /nfs/dbraw/zinc/65/69/17/1378656917.db2.gz KCRCKRQVVFWAOJ-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC(F)(F)F ZINC001143879421 1378656920 /nfs/dbraw/zinc/65/69/20/1378656920.db2.gz KCRCKRQVVFWAOJ-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879421 1378656923 /nfs/dbraw/zinc/65/69/23/1378656923.db2.gz KCRCKRQVVFWAOJ-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879421 1378656926 /nfs/dbraw/zinc/65/69/26/1378656926.db2.gz KCRCKRQVVFWAOJ-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP Cc1c(O)cccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001144110345 1378683326 /nfs/dbraw/zinc/68/33/26/1378683326.db2.gz KWXKQZWVDYPODV-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1c(O)cccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001144110345 1378683328 /nfs/dbraw/zinc/68/33/28/1378683328.db2.gz KWXKQZWVDYPODV-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1c(O)cccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001144110345 1378683331 /nfs/dbraw/zinc/68/33/31/1378683331.db2.gz KWXKQZWVDYPODV-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP Cc1c(O)cccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001144110345 1378683332 /nfs/dbraw/zinc/68/33/32/1378683332.db2.gz KWXKQZWVDYPODV-FQEVSTJZSA-N 2 2 332.488 3.023 20 0 EGADLP CCC(CC)C[N@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001283317209 1378802462 /nfs/dbraw/zinc/80/24/62/1378802462.db2.gz NCUZUBIFTGXYTA-UHFFFAOYSA-N 2 2 342.487 3.307 20 0 EGADLP CCC(CC)C[N@@H+](C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001283317209 1378802463 /nfs/dbraw/zinc/80/24/63/1378802463.db2.gz NCUZUBIFTGXYTA-UHFFFAOYSA-N 2 2 342.487 3.307 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CCCC(C)(C)C ZINC001146713297 1378905949 /nfs/dbraw/zinc/90/59/49/1378905949.db2.gz JCKDMOYBXKSFGX-SJORKVTESA-N 2 2 336.524 3.363 20 0 EGADLP C[NH+]1CCC(N(C(=O)c2c[nH]c3cc[nH+]cc23)C2CCCC2)CC1 ZINC001152977884 1380001619 /nfs/dbraw/zinc/00/16/19/1380001619.db2.gz ZTWYSVHKWOWVJR-UHFFFAOYSA-N 2 2 326.444 3.042 20 0 EGADLP CC[N@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361651 1380063499 /nfs/dbraw/zinc/06/34/99/1380063499.db2.gz CVXBBBUQZAMVJS-ISXOHVOVSA-N 2 2 342.487 3.129 20 0 EGADLP CC[N@@H+](CC1CC(C)C1)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153361651 1380063503 /nfs/dbraw/zinc/06/35/03/1380063503.db2.gz CVXBBBUQZAMVJS-ISXOHVOVSA-N 2 2 342.487 3.129 20 0 EGADLP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015453 1380179158 /nfs/dbraw/zinc/17/91/58/1380179158.db2.gz IXQAMQRPYDYPBK-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015453 1380179161 /nfs/dbraw/zinc/17/91/61/1380179161.db2.gz IXQAMQRPYDYPBK-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP CC[N@H+](CCCOC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403110 1380270757 /nfs/dbraw/zinc/27/07/57/1380270757.db2.gz BBCJEBVXVDATRW-QGZVFWFLSA-N 2 2 349.519 3.262 20 0 EGADLP CC[N@@H+](CCCOC(C)C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403110 1380270758 /nfs/dbraw/zinc/27/07/58/1380270758.db2.gz BBCJEBVXVDATRW-QGZVFWFLSA-N 2 2 349.519 3.262 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1)C1CC1 ZINC001155030413 1380395075 /nfs/dbraw/zinc/39/50/75/1380395075.db2.gz JUKFDRIXSYJADL-WBAXXEDZSA-N 2 2 345.487 3.186 20 0 EGADLP Cc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1-c1ccccc1F ZINC001155063693 1380401713 /nfs/dbraw/zinc/40/17/13/1380401713.db2.gz XZZZIYSVIZPKOC-UHFFFAOYSA-N 2 2 337.402 3.244 20 0 EGADLP Clc1ccc(OCCCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001156196615 1380539939 /nfs/dbraw/zinc/53/99/39/1380539939.db2.gz AMMSXAXXVKIRPO-UHFFFAOYSA-N 2 2 346.862 3.026 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001328099612 1388671635 /nfs/dbraw/zinc/67/16/35/1388671635.db2.gz WZWCDGSCXRKZCH-SFHVURJKSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001328099612 1388671639 /nfs/dbraw/zinc/67/16/39/1388671639.db2.gz WZWCDGSCXRKZCH-SFHVURJKSA-N 2 2 348.535 3.006 20 0 EGADLP CCN(CC)c1cc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC001157434410 1380893178 /nfs/dbraw/zinc/89/31/78/1380893178.db2.gz LIRNWRIUXWSDRN-SFHVURJKSA-N 2 2 339.487 3.081 20 0 EGADLP COc1ccc(CN(c2[nH+]ccc(F)c2C)C2CC[NH2+]CC2)cc1F ZINC001158007543 1381101616 /nfs/dbraw/zinc/10/16/16/1381101616.db2.gz PNCVKBMDJAPESZ-UHFFFAOYSA-N 2 2 347.409 3.435 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001158061611 1381117112 /nfs/dbraw/zinc/11/71/12/1381117112.db2.gz AKMCDXOIISJSHA-HNNXBMFYSA-N 2 2 330.476 3.034 20 0 EGADLP CC1(C)C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)C[C@](C)(C[NH3+])C1 ZINC001158263357 1381177448 /nfs/dbraw/zinc/17/74/48/1381177448.db2.gz BUDTUSTULQDFQI-BEFAXECRSA-N 2 2 331.508 3.423 20 0 EGADLP CC1(C)C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C[C@](C)(C[NH3+])C1 ZINC001158263357 1381177453 /nfs/dbraw/zinc/17/74/53/1381177453.db2.gz BUDTUSTULQDFQI-BEFAXECRSA-N 2 2 331.508 3.423 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571691 1381303689 /nfs/dbraw/zinc/30/36/89/1381303689.db2.gz WQMAFHOKYQBGHX-FYVKXAJJSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571691 1381303698 /nfs/dbraw/zinc/30/36/98/1381303698.db2.gz WQMAFHOKYQBGHX-FYVKXAJJSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571691 1381303704 /nfs/dbraw/zinc/30/37/04/1381303704.db2.gz WQMAFHOKYQBGHX-FYVKXAJJSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571691 1381303716 /nfs/dbraw/zinc/30/37/16/1381303716.db2.gz WQMAFHOKYQBGHX-FYVKXAJJSA-N 2 2 346.519 3.258 20 0 EGADLP C[NH+]1CCN(c2cccc(NCCc3coc4ccccc34)[nH+]2)CC1 ZINC001158662495 1381340336 /nfs/dbraw/zinc/34/03/36/1381340336.db2.gz YLQCADWLQDWAPL-UHFFFAOYSA-N 2 2 336.439 3.234 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949157 1381479660 /nfs/dbraw/zinc/47/96/60/1381479660.db2.gz FNOOIFNVKSWCGR-PHWHVTFISA-N 2 2 346.519 3.333 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949157 1381479662 /nfs/dbraw/zinc/47/96/62/1381479662.db2.gz FNOOIFNVKSWCGR-PHWHVTFISA-N 2 2 346.519 3.333 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328436224 1388745747 /nfs/dbraw/zinc/74/57/47/1388745747.db2.gz FUXRBHZLZBFPEW-INIZCTEOSA-N 2 2 336.863 3.020 20 0 EGADLP COC(=O)[C@H](c1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328436224 1388745749 /nfs/dbraw/zinc/74/57/49/1388745749.db2.gz FUXRBHZLZBFPEW-INIZCTEOSA-N 2 2 336.863 3.020 20 0 EGADLP FC1(F)C[NH2+]CC[C@@H]1Oc1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001160349695 1382079746 /nfs/dbraw/zinc/07/97/46/1382079746.db2.gz HPLBZTNVMTTXJN-SFHVURJKSA-N 2 2 345.393 3.409 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)nc[nH+]2)C1 ZINC001160475670 1382117655 /nfs/dbraw/zinc/11/76/55/1382117655.db2.gz HWHDRFJAPFLQFZ-VQHPVUNQSA-N 2 2 329.492 3.140 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nc[nH+]2)C1 ZINC001160475670 1382117657 /nfs/dbraw/zinc/11/76/57/1382117657.db2.gz HWHDRFJAPFLQFZ-VQHPVUNQSA-N 2 2 329.492 3.140 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[nH+]cn2)C1 ZINC001160475670 1382117660 /nfs/dbraw/zinc/11/76/60/1382117660.db2.gz HWHDRFJAPFLQFZ-VQHPVUNQSA-N 2 2 329.492 3.140 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[nH+]cn2)C1 ZINC001160475670 1382117662 /nfs/dbraw/zinc/11/76/62/1382117662.db2.gz HWHDRFJAPFLQFZ-VQHPVUNQSA-N 2 2 329.492 3.140 20 0 EGADLP CCC/C=C\CC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528190 1382132305 /nfs/dbraw/zinc/13/23/05/1382132305.db2.gz KHLUBUSMRHBEGK-HPFMTEOYSA-N 2 2 334.508 3.313 20 0 EGADLP Cc1c[nH+]c(N(Cc2ccccc2)C[C@H](C)C[NH3+])nc1NCC1CC1 ZINC001160659868 1382162816 /nfs/dbraw/zinc/16/28/16/1382162816.db2.gz BPVBRRZJTHZYTL-OAHLLOKOSA-N 2 2 339.487 3.208 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665830 1382165127 /nfs/dbraw/zinc/16/51/27/1382165127.db2.gz JNIUGZNVIZRHBV-MRXNPFEDSA-N 2 2 340.471 3.132 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665830 1382165129 /nfs/dbraw/zinc/16/51/29/1382165129.db2.gz JNIUGZNVIZRHBV-MRXNPFEDSA-N 2 2 340.471 3.132 20 0 EGADLP CCCc1cc(N[C@H]2CC[N@H+](Cc3cccc(OC)c3)C2)nc(C)[nH+]1 ZINC001161192896 1382336143 /nfs/dbraw/zinc/33/61/43/1382336143.db2.gz MMOYGQAFJXODHB-SFHVURJKSA-N 2 2 340.471 3.433 20 0 EGADLP CCCc1cc(N[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)nc(C)[nH+]1 ZINC001161192896 1382336145 /nfs/dbraw/zinc/33/61/45/1382336145.db2.gz MMOYGQAFJXODHB-SFHVURJKSA-N 2 2 340.471 3.433 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434586 1382409825 /nfs/dbraw/zinc/40/98/25/1382409825.db2.gz ULNFGHDIGPUPIA-VGOKWCNXSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434586 1382409827 /nfs/dbraw/zinc/40/98/27/1382409827.db2.gz ULNFGHDIGPUPIA-VGOKWCNXSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434586 1382409829 /nfs/dbraw/zinc/40/98/29/1382409829.db2.gz ULNFGHDIGPUPIA-VGOKWCNXSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434586 1382409831 /nfs/dbraw/zinc/40/98/31/1382409831.db2.gz ULNFGHDIGPUPIA-VGOKWCNXSA-N 2 2 344.503 3.083 20 0 EGADLP COc1ccc2ccc(NCC3(c4cccnc4)CC[NH2+]CC3)[nH+]c2c1 ZINC001162036720 1382610213 /nfs/dbraw/zinc/61/02/13/1382610213.db2.gz LOHXEOHIFZCIQS-UHFFFAOYSA-N 2 2 348.450 3.372 20 0 EGADLP CCc1nc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc(C)[nH+]1 ZINC001162197751 1382654976 /nfs/dbraw/zinc/65/49/76/1382654976.db2.gz MJDOGBUQFLLDCF-QAQDUYKDSA-N 2 2 325.460 3.019 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](Nc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)C1 ZINC001162394483 1382746726 /nfs/dbraw/zinc/74/67/26/1382746726.db2.gz PKSPEBRCECGXAR-HZPDHXFCSA-N 2 2 334.427 3.011 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427910 1382756422 /nfs/dbraw/zinc/75/64/22/1382756422.db2.gz RQUSISYPAXJMID-MRXNPFEDSA-N 2 2 336.439 3.113 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001162471741 1382768309 /nfs/dbraw/zinc/76/83/09/1382768309.db2.gz QKNBMLCCUMHIGA-HOTGVXAUSA-N 2 2 326.444 3.103 20 0 EGADLP COc1cccc2c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)cc[nH+]c12 ZINC001162963098 1382928954 /nfs/dbraw/zinc/92/89/54/1382928954.db2.gz ONCHDJKNVSLEMC-OAHLLOKOSA-N 2 2 341.455 3.204 20 0 EGADLP c1[nH+]c2cc(NCc3noc4c3C[NH2+]CC4)ccc2n1-c1ccccc1 ZINC001163131876 1382973267 /nfs/dbraw/zinc/97/32/67/1382973267.db2.gz NOHBHTPXLUZSLF-UHFFFAOYSA-N 2 2 345.406 3.271 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@@H](C)C1 ZINC001163372801 1383035338 /nfs/dbraw/zinc/03/53/38/1383035338.db2.gz WPIOZEDUHHJLJJ-IKGGRYGDSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@@H](C)C1 ZINC001163372801 1383035341 /nfs/dbraw/zinc/03/53/41/1383035341.db2.gz WPIOZEDUHHJLJJ-IKGGRYGDSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@@H](C)C1 ZINC001163372801 1383035344 /nfs/dbraw/zinc/03/53/44/1383035344.db2.gz WPIOZEDUHHJLJJ-IKGGRYGDSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@@H](C)C1 ZINC001163372801 1383035347 /nfs/dbraw/zinc/03/53/47/1383035347.db2.gz WPIOZEDUHHJLJJ-IKGGRYGDSA-N 2 2 331.508 3.244 20 0 EGADLP CC[C@H](C)c1nc(Cl)c(C)c(-n2c(C)[nH+]c3c2CC[NH2+]CC3)n1 ZINC001165356810 1383280955 /nfs/dbraw/zinc/28/09/55/1383280955.db2.gz UNEKSBBUNFTLQD-JTQLQIEISA-N 2 2 333.867 3.134 20 0 EGADLP Cc1[nH+]cn(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1C ZINC001167353208 1383607233 /nfs/dbraw/zinc/60/72/33/1383607233.db2.gz GRBVBKJQZUPHIN-UHFFFAOYSA-N 2 2 332.879 3.366 20 0 EGADLP Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429273 1383631895 /nfs/dbraw/zinc/63/18/95/1383631895.db2.gz QOZRRPUUVBSOFB-OAHLLOKOSA-N 2 2 348.878 3.092 20 0 EGADLP [NH2+]=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)SCC[NH3+] ZINC001167911643 1383768602 /nfs/dbraw/zinc/76/86/02/1383768602.db2.gz BXYGKYORIKIEHG-UHFFFAOYSA-N 3 2 326.469 3.241 20 0 EGADLP [NH2+]=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)SCC[NH3+] ZINC001167911643 1383768605 /nfs/dbraw/zinc/76/86/05/1383768605.db2.gz BXYGKYORIKIEHG-UHFFFAOYSA-N 3 2 326.469 3.241 20 0 EGADLP C[C@H]1CC([NH2+]Cc2ncccc2O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168017620 1383797445 /nfs/dbraw/zinc/79/74/45/1383797445.db2.gz BIPJGZNZTSQNMI-HOTGVXAUSA-N 2 2 325.456 3.318 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](F)C[C@@H](CO)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039327 1383802307 /nfs/dbraw/zinc/80/23/07/1383802307.db2.gz DEGADCBYUODHSZ-QQXMDYFESA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H](F)C[C@@H](CO)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039327 1383802310 /nfs/dbraw/zinc/80/23/10/1383802310.db2.gz DEGADCBYUODHSZ-QQXMDYFESA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H](F)C[C@@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039327 1383802312 /nfs/dbraw/zinc/80/23/12/1383802312.db2.gz DEGADCBYUODHSZ-QQXMDYFESA-N 2 2 334.479 3.080 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H](F)C[C@@H](CO)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039327 1383802318 /nfs/dbraw/zinc/80/23/18/1383802318.db2.gz DEGADCBYUODHSZ-QQXMDYFESA-N 2 2 334.479 3.080 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)C1 ZINC001168070755 1383810934 /nfs/dbraw/zinc/81/09/34/1383810934.db2.gz VTDVVRXYTKLHNA-OXFYSEKESA-N 2 2 343.421 3.466 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3C[C@H]3c3ccc(F)c(F)c3)c2)C1 ZINC001168070755 1383810940 /nfs/dbraw/zinc/81/09/40/1383810940.db2.gz VTDVVRXYTKLHNA-OXFYSEKESA-N 2 2 343.421 3.466 20 0 EGADLP C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001168163774 1383830837 /nfs/dbraw/zinc/83/08/37/1383830837.db2.gz BTFZBZIFHJDSMY-XPGWFJOJSA-N 2 2 343.902 3.072 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH+]3CCC(n4cc[nH+]c4)CC3)CCO2)cc1 ZINC001168664697 1383963379 /nfs/dbraw/zinc/96/33/79/1383963379.db2.gz JDMCBICREILNOX-UYAOXDASSA-N 2 2 341.455 3.449 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831281 1384023992 /nfs/dbraw/zinc/02/39/92/1384023992.db2.gz UVQKPFSVDGDMKL-OWCLPIDISA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831281 1384023996 /nfs/dbraw/zinc/02/39/96/1384023996.db2.gz UVQKPFSVDGDMKL-OWCLPIDISA-N 2 2 339.524 3.094 20 0 EGADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901929 1384051971 /nfs/dbraw/zinc/05/19/71/1384051971.db2.gz DEMIHBPIKCPNPQ-RTWAWAEBSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901929 1384051975 /nfs/dbraw/zinc/05/19/75/1384051975.db2.gz DEMIHBPIKCPNPQ-RTWAWAEBSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901929 1384051980 /nfs/dbraw/zinc/05/19/80/1384051980.db2.gz DEMIHBPIKCPNPQ-RTWAWAEBSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901929 1384051982 /nfs/dbraw/zinc/05/19/82/1384051982.db2.gz DEMIHBPIKCPNPQ-RTWAWAEBSA-N 2 2 348.531 3.276 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC001308040087 1384080027 /nfs/dbraw/zinc/08/00/27/1384080027.db2.gz NRSHOXYBMKPQDC-QGZVFWFLSA-N 2 2 325.456 3.277 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COc3ccc(Br)cc31)C2 ZINC001169099582 1384107229 /nfs/dbraw/zinc/10/72/29/1384107229.db2.gz BZEJGNZHQWWGOV-XFMPKHEZSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COc3ccc(Br)cc31)C2 ZINC001169099582 1384107231 /nfs/dbraw/zinc/10/72/31/1384107231.db2.gz BZEJGNZHQWWGOV-XFMPKHEZSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccccc1Cl)C2 ZINC001169120157 1384109690 /nfs/dbraw/zinc/10/96/90/1384109690.db2.gz YRDUJEOJAXRULS-BJWYYQGGSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1ccccc1Cl)C2 ZINC001169120157 1384109691 /nfs/dbraw/zinc/10/96/91/1384109691.db2.gz YRDUJEOJAXRULS-BJWYYQGGSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148100 1384114785 /nfs/dbraw/zinc/11/47/85/1384114785.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 3 2 327.516 3.066 20 0 EGADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148100 1384114786 /nfs/dbraw/zinc/11/47/86/1384114786.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148100 1384114787 /nfs/dbraw/zinc/11/47/87/1384114787.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 3 2 327.516 3.066 20 0 EGADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169148100 1384114788 /nfs/dbraw/zinc/11/47/88/1384114788.db2.gz YSAMTNNOEGSPCT-MXEMCNAFSA-N 3 2 327.516 3.066 20 0 EGADLP COc1ccc(C(C)(C)C[N@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC001308745393 1384146801 /nfs/dbraw/zinc/14/68/01/1384146801.db2.gz WOAWWQOOIILOAT-UHFFFAOYSA-N 2 2 331.460 3.200 20 0 EGADLP COc1ccc(C(C)(C)C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC001308745393 1384146804 /nfs/dbraw/zinc/14/68/04/1384146804.db2.gz WOAWWQOOIILOAT-UHFFFAOYSA-N 2 2 331.460 3.200 20 0 EGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001308777747 1384149289 /nfs/dbraw/zinc/14/92/89/1384149289.db2.gz OCLJWGDRTSWKFK-NRSPTQNISA-N 2 2 330.516 3.354 20 0 EGADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001308777747 1384149290 /nfs/dbraw/zinc/14/92/90/1384149290.db2.gz OCLJWGDRTSWKFK-NRSPTQNISA-N 2 2 330.516 3.354 20 0 EGADLP C[NH+](C)CCC(C)(C)Nc1c(Br)ccc2[nH+]ccn21 ZINC001169718522 1384177840 /nfs/dbraw/zinc/17/78/40/1384177840.db2.gz URVHCUCCEKUZOU-UHFFFAOYSA-N 2 2 325.254 3.239 20 0 EGADLP Cc1ccccc1C[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022591 1384219666 /nfs/dbraw/zinc/21/96/66/1384219666.db2.gz FCRRZPPOTSELSL-UHFFFAOYSA-N 2 2 348.450 3.090 20 0 EGADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079311 1384230497 /nfs/dbraw/zinc/23/04/97/1384230497.db2.gz CJINSYLRPRETOF-DFQSSKMNSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079311 1384230499 /nfs/dbraw/zinc/23/04/99/1384230499.db2.gz CJINSYLRPRETOF-DFQSSKMNSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079311 1384230502 /nfs/dbraw/zinc/23/05/02/1384230502.db2.gz CJINSYLRPRETOF-DFQSSKMNSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001170079311 1384230505 /nfs/dbraw/zinc/23/05/05/1384230505.db2.gz CJINSYLRPRETOF-DFQSSKMNSA-N 2 2 332.536 3.389 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](C)C3)CC2)cc1 ZINC001170117542 1384238788 /nfs/dbraw/zinc/23/87/88/1384238788.db2.gz LQRFYRUVCAQHGK-KXBFYZLASA-N 2 2 330.472 3.216 20 0 EGADLP CC[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001170164643 1384253059 /nfs/dbraw/zinc/25/30/59/1384253059.db2.gz MGERFMUCADZXTI-LEWJYISDSA-N 2 2 330.516 3.488 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)cs1 ZINC001170482559 1384328177 /nfs/dbraw/zinc/32/81/77/1384328177.db2.gz FUSAVLSHFUSDLL-AWEZNQCLSA-N 2 2 348.516 3.177 20 0 EGADLP CC[C@@]([NH3+])(CO)Nc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001170862206 1384400738 /nfs/dbraw/zinc/40/07/38/1384400738.db2.gz HDTRJHXHRASYNC-KRWDZBQOSA-N 2 2 330.819 3.124 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359740 1384502034 /nfs/dbraw/zinc/50/20/34/1384502034.db2.gz UKGZQKNFEWGCQI-ANWGSAMYSA-N 2 2 332.492 3.134 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359740 1384502043 /nfs/dbraw/zinc/50/20/43/1384502043.db2.gz UKGZQKNFEWGCQI-ANWGSAMYSA-N 2 2 332.492 3.134 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359313 1384502142 /nfs/dbraw/zinc/50/21/42/1384502142.db2.gz QYYHHSCEPXCMAJ-CGTJXYLNSA-N 2 2 344.503 3.278 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359313 1384502144 /nfs/dbraw/zinc/50/21/44/1384502144.db2.gz QYYHHSCEPXCMAJ-CGTJXYLNSA-N 2 2 344.503 3.278 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526520 1384551094 /nfs/dbraw/zinc/55/10/94/1384551094.db2.gz IJXXUXVMLQWGAH-OAHLLOKOSA-N 2 2 328.460 3.407 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528353 1384552855 /nfs/dbraw/zinc/55/28/55/1384552855.db2.gz SDVNHDTYTFTSJJ-HUUCEWRRSA-N 2 2 330.476 3.487 20 0 EGADLP Cc1cccc2c1CC[C@@H]([N@@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)C2 ZINC001171567653 1384565532 /nfs/dbraw/zinc/56/55/32/1384565532.db2.gz TYVYBCQVDAPOBV-QGZVFWFLSA-N 2 2 348.450 3.143 20 0 EGADLP Cc1cccc2c1CC[C@@H]([N@H+]1CCc3onc(Cn4cc[nH+]c4)c3C1)C2 ZINC001171567653 1384565536 /nfs/dbraw/zinc/56/55/36/1384565536.db2.gz TYVYBCQVDAPOBV-QGZVFWFLSA-N 2 2 348.450 3.143 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171597496 1384575169 /nfs/dbraw/zinc/57/51/69/1384575169.db2.gz ZNSSPFNQZFPSBV-AEFFLSMTSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)CC1(C)C ZINC001171631672 1384586095 /nfs/dbraw/zinc/58/60/95/1384586095.db2.gz LQEYDCZRIONPAT-SFHVURJKSA-N 2 2 341.499 3.151 20 0 EGADLP C[NH+]1C(C)(C)CC([N@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)CC1(C)C ZINC001171631672 1384586097 /nfs/dbraw/zinc/58/60/97/1384586097.db2.gz LQEYDCZRIONPAT-SFHVURJKSA-N 2 2 341.499 3.151 20 0 EGADLP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171787558 1384636901 /nfs/dbraw/zinc/63/69/01/1384636901.db2.gz KOUQZQAEXATACM-ULQDDVLXSA-N 2 2 325.431 3.464 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171830684 1384654349 /nfs/dbraw/zinc/65/43/49/1384654349.db2.gz YPRROUUGLBYMFA-INIZCTEOSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896483 1384673562 /nfs/dbraw/zinc/67/35/62/1384673562.db2.gz OVHQGLIQDXNVKR-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001171929689 1384686168 /nfs/dbraw/zinc/68/61/68/1384686168.db2.gz KBFSOROTEOCXER-UHFFFAOYSA-N 2 2 333.476 3.421 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090414 1384725108 /nfs/dbraw/zinc/72/51/08/1384725108.db2.gz VNGSXNIHKDMKDC-VIYGXFRKSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090414 1384725111 /nfs/dbraw/zinc/72/51/11/1384725111.db2.gz VNGSXNIHKDMKDC-VIYGXFRKSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090414 1384725115 /nfs/dbraw/zinc/72/51/15/1384725115.db2.gz VNGSXNIHKDMKDC-VIYGXFRKSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@H]4CC[C@@H]2CO4)C3)cc1 ZINC001172090414 1384725118 /nfs/dbraw/zinc/72/51/18/1384725118.db2.gz VNGSXNIHKDMKDC-VIYGXFRKSA-N 2 2 326.484 3.435 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116027 1384731680 /nfs/dbraw/zinc/73/16/80/1384731680.db2.gz CUDYMZUHIVJSKW-LTFXXXRZSA-N 3 2 345.556 3.127 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116027 1384731682 /nfs/dbraw/zinc/73/16/82/1384731682.db2.gz CUDYMZUHIVJSKW-LTFXXXRZSA-N 3 2 345.556 3.127 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133720 1384739088 /nfs/dbraw/zinc/73/90/88/1384739088.db2.gz UQPSADSWBXHDGV-XMTFNYHQSA-N 2 2 341.490 3.197 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@H]([NH+]3CCCCC3)C(F)(F)C1)C2 ZINC001172133720 1384739090 /nfs/dbraw/zinc/73/90/90/1384739090.db2.gz UQPSADSWBXHDGV-XMTFNYHQSA-N 2 2 341.490 3.197 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccncc2Cl)C2CC2)CC1 ZINC001172248805 1384755823 /nfs/dbraw/zinc/75/58/23/1384755823.db2.gz OEXFOSTXYQZFLK-GOSISDBHSA-N 2 2 337.895 3.277 20 0 EGADLP CC1(C)CC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC(C)(C)O1 ZINC001172655645 1384826610 /nfs/dbraw/zinc/82/66/10/1384826610.db2.gz APNZAHIQXIUZDA-ROUUACIJSA-N 2 2 343.515 3.181 20 0 EGADLP Cc1cc(N2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)nc(C)[nH+]1 ZINC001172719466 1384836981 /nfs/dbraw/zinc/83/69/81/1384836981.db2.gz OARSMGAKEMZHSS-SFHVURJKSA-N 2 2 342.874 3.036 20 0 EGADLP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC([NH3+])(c2cccc(F)c2)CC1 ZINC001172753122 1384844493 /nfs/dbraw/zinc/84/44/93/1384844493.db2.gz ROPRGFUZHRQNTO-HNNXBMFYSA-N 2 2 336.451 3.196 20 0 EGADLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172923600 1384880047 /nfs/dbraw/zinc/88/00/47/1384880047.db2.gz NNTLYGZOTAZBOY-MOPGFXCFSA-N 2 2 332.488 3.207 20 0 EGADLP CO[C@@H]1CCC[C@@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938969 1384883697 /nfs/dbraw/zinc/88/36/97/1384883697.db2.gz SCYGATFNRCETMF-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938969 1384883701 /nfs/dbraw/zinc/88/37/01/1384883701.db2.gz SCYGATFNRCETMF-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938969 1384883704 /nfs/dbraw/zinc/88/37/04/1384883704.db2.gz SCYGATFNRCETMF-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)C1 ZINC001172938969 1384883707 /nfs/dbraw/zinc/88/37/07/1384883707.db2.gz SCYGATFNRCETMF-JFIYKMOQSA-N 2 2 334.508 3.058 20 0 EGADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173538175 1384981022 /nfs/dbraw/zinc/98/10/22/1384981022.db2.gz FAIASUQEGGUXRG-IAQYHMDHSA-N 2 2 347.286 3.185 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633303 1384992958 /nfs/dbraw/zinc/99/29/58/1384992958.db2.gz PKUKLMZYBXTYDI-XLAORIBOSA-N 2 2 345.487 3.280 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001175630253 1385356684 /nfs/dbraw/zinc/35/66/84/1385356684.db2.gz OUOYTDLEUXIJKU-SJORKVTESA-N 2 2 346.519 3.353 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001175630253 1385356690 /nfs/dbraw/zinc/35/66/90/1385356690.db2.gz OUOYTDLEUXIJKU-SJORKVTESA-N 2 2 346.519 3.353 20 0 EGADLP CC[NH+]1CCN(c2ccc(-n3c(C)[nH+]c4ccc(N)cc43)cc2)CC1 ZINC001175780259 1385402905 /nfs/dbraw/zinc/40/29/05/1385402905.db2.gz ADJPNZVEZNWGCT-UHFFFAOYSA-N 2 2 335.455 3.058 20 0 EGADLP OCCc1ccc[nH+]c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175799430 1385408226 /nfs/dbraw/zinc/40/82/26/1385408226.db2.gz KVLHFPJGJYRKTE-UHFFFAOYSA-N 2 2 341.455 3.225 20 0 EGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175857686 1385423105 /nfs/dbraw/zinc/42/31/05/1385423105.db2.gz MVKIBNHCBMSYNV-UHFFFAOYSA-N 2 2 340.402 3.358 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881613 1385428743 /nfs/dbraw/zinc/42/87/43/1385428743.db2.gz RQVVKIRDGOSQTD-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001176167392 1385500942 /nfs/dbraw/zinc/50/09/42/1385500942.db2.gz YRSAMBREXYAVIL-ADKAHSJRSA-N 2 2 348.535 3.054 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001176401872 1385576594 /nfs/dbraw/zinc/57/65/94/1385576594.db2.gz NILCKPLGVIHAHX-MRXNPFEDSA-N 2 2 336.524 3.054 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001177342073 1385921403 /nfs/dbraw/zinc/92/14/03/1385921403.db2.gz IXZLIUVNCBZCMF-QZTJIDSGSA-N 2 2 346.519 3.168 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001177342073 1385921408 /nfs/dbraw/zinc/92/14/08/1385921408.db2.gz IXZLIUVNCBZCMF-QZTJIDSGSA-N 2 2 346.519 3.168 20 0 EGADLP CC/C=C/CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492895 1385977863 /nfs/dbraw/zinc/97/78/63/1385977863.db2.gz OSRBDFOUKYDPEQ-ONEGZZNKSA-N 2 2 346.519 3.238 20 0 EGADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001177506977 1385981639 /nfs/dbraw/zinc/98/16/39/1385981639.db2.gz XJAYWTGFQFIMCQ-AZUAARDMSA-N 2 2 346.515 3.314 20 0 EGADLP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001319503133 1386150518 /nfs/dbraw/zinc/15/05/18/1386150518.db2.gz RCJPEQYFZVFVGW-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCC[NH2+]C/C=C\Cl)ccn12 ZINC001178483662 1386231316 /nfs/dbraw/zinc/23/13/16/1386231316.db2.gz HDZZTFBSHBNFDN-VURMDHGXSA-N 2 2 348.878 3.275 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCCCCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001178773766 1386299719 /nfs/dbraw/zinc/29/97/19/1386299719.db2.gz HFWVWEGBGADMLH-KRWDZBQOSA-N 2 2 340.487 3.096 20 0 EGADLP CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001178782481 1386303071 /nfs/dbraw/zinc/30/30/71/1386303071.db2.gz HKSGSQJAPAVEDT-IBGZPJMESA-N 2 2 346.515 3.314 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808464 1386312695 /nfs/dbraw/zinc/31/26/95/1386312695.db2.gz JPLIAUDIVKJLAI-UHFFFAOYSA-N 2 2 336.524 3.383 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001178880664 1386337724 /nfs/dbraw/zinc/33/77/24/1386337724.db2.gz NYIZIAPSAGZJQD-RDJZCZTQSA-N 2 2 348.535 3.135 20 0 EGADLP CC[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001178880664 1386337727 /nfs/dbraw/zinc/33/77/27/1386337727.db2.gz NYIZIAPSAGZJQD-RDJZCZTQSA-N 2 2 348.535 3.135 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001179141704 1386409606 /nfs/dbraw/zinc/40/96/06/1386409606.db2.gz IVSQDDSUAPUPGY-HOTGVXAUSA-N 2 2 342.487 3.353 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2CCCCC2)[nH+]1 ZINC001320052243 1386476257 /nfs/dbraw/zinc/47/62/57/1386476257.db2.gz JQKAVOLVOPPSJR-GOSISDBHSA-N 2 2 344.503 3.057 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2CCCCC2)[nH+]1 ZINC001320052243 1386476260 /nfs/dbraw/zinc/47/62/60/1386476260.db2.gz JQKAVOLVOPPSJR-GOSISDBHSA-N 2 2 344.503 3.057 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001179777185 1386581733 /nfs/dbraw/zinc/58/17/33/1386581733.db2.gz PSUOCNAFSMKLIO-CHYADLBTSA-N 2 2 334.508 3.211 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001179777185 1386581737 /nfs/dbraw/zinc/58/17/37/1386581737.db2.gz PSUOCNAFSMKLIO-CHYADLBTSA-N 2 2 334.508 3.211 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001320438813 1386610110 /nfs/dbraw/zinc/61/01/10/1386610110.db2.gz HRLLTAZATJYOBE-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001320438813 1386610114 /nfs/dbraw/zinc/61/01/14/1386610114.db2.gz HRLLTAZATJYOBE-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP COc1nc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)ccc1C ZINC001179938790 1386637931 /nfs/dbraw/zinc/63/79/31/1386637931.db2.gz YEBBDSDYOPLUEB-QGZVFWFLSA-N 2 2 326.444 3.179 20 0 EGADLP COc1nc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)ccc1C ZINC001179938790 1386637936 /nfs/dbraw/zinc/63/79/36/1386637936.db2.gz YEBBDSDYOPLUEB-QGZVFWFLSA-N 2 2 326.444 3.179 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452334 1386800947 /nfs/dbraw/zinc/80/09/47/1386800947.db2.gz RGFBMWILJRLFGC-UHFFFAOYSA-N 2 2 336.524 3.366 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001321206266 1386841009 /nfs/dbraw/zinc/84/10/09/1386841009.db2.gz MCACRJFIYSBPAK-GOSISDBHSA-N 2 2 339.439 3.253 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001321206266 1386841014 /nfs/dbraw/zinc/84/10/14/1386841014.db2.gz MCACRJFIYSBPAK-GOSISDBHSA-N 2 2 339.439 3.253 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2ccccc2[nH]c1=O ZINC001321831476 1386992821 /nfs/dbraw/zinc/99/28/21/1386992821.db2.gz FOWRBWFFAUNSLQ-UHFFFAOYSA-N 2 2 345.362 3.082 20 0 EGADLP Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)[nH+]c2ccccc12 ZINC001322051459 1387039519 /nfs/dbraw/zinc/03/95/19/1387039519.db2.gz DTDHHLORTBTAJC-UHFFFAOYSA-N 2 2 347.466 3.302 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@]1(C)C[NH2+]C/C=C/Cl ZINC001181903183 1387073446 /nfs/dbraw/zinc/07/34/46/1387073446.db2.gz FQRNZNVPUFNFNK-GZLOKEMUSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001182767801 1387221644 /nfs/dbraw/zinc/22/16/44/1387221644.db2.gz LQMYUQSBFGPGEX-FUHIMQAGSA-N 2 2 348.535 3.345 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C(F)(F)c1ccccc1 ZINC001322870034 1387250047 /nfs/dbraw/zinc/25/00/47/1387250047.db2.gz VWSXFESKSOBXSS-UHFFFAOYSA-N 2 2 328.322 3.306 20 0 EGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCc2ccc(F)cc2F)c1 ZINC001329356036 1389072918 /nfs/dbraw/zinc/07/29/18/1389072918.db2.gz ZQSYECQMRWAFQV-HKUYNNGSSA-N 2 2 334.385 3.382 20 0 EGADLP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC001336703534 1389140718 /nfs/dbraw/zinc/14/07/18/1389140718.db2.gz KOKBIEUYWDLYNC-OAHLLOKOSA-N 2 2 325.815 3.122 20 0 EGADLP Cc1cc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc(C)[nH+]1 ZINC001336910909 1389205715 /nfs/dbraw/zinc/20/57/15/1389205715.db2.gz YQBUSVGSTXUQFA-GOSISDBHSA-N 2 2 344.503 3.010 20 0 EGADLP [NH3+]CC1(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC001333750483 1390392428 /nfs/dbraw/zinc/39/24/28/1390392428.db2.gz MHGJUUWIGWYJEK-SFHVURJKSA-N 2 2 340.471 3.040 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001352836769 1391858078 /nfs/dbraw/zinc/85/80/78/1391858078.db2.gz POIWUBKICNDKMH-UHFFFAOYSA-N 2 2 341.540 3.344 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479835517 1392421185 /nfs/dbraw/zinc/42/11/85/1392421185.db2.gz WOHNVNLHCHKBAF-QAPCUYQASA-N 2 2 334.508 3.056 20 0 EGADLP CN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001479896498 1392465220 /nfs/dbraw/zinc/46/52/20/1392465220.db2.gz VKCUCQAGNWFOII-UHFFFAOYSA-N 2 2 348.535 3.412 20 0 EGADLP C[C@@H]([NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1)c1ccccc1 ZINC001480029035 1392541096 /nfs/dbraw/zinc/54/10/96/1392541096.db2.gz RSTFKEUXBANDCX-JLTOFOAXSA-N 2 2 348.450 3.422 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@H+](C)CCCC2CCC2)C1 ZINC001480088475 1392578397 /nfs/dbraw/zinc/57/83/97/1392578397.db2.gz IRIQAHZQANMBBM-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[N@@H+](C)CCCC2CCC2)C1 ZINC001480088475 1392578400 /nfs/dbraw/zinc/57/84/00/1392578400.db2.gz IRIQAHZQANMBBM-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387665 1392732788 /nfs/dbraw/zinc/73/27/88/1392732788.db2.gz SMRCINVDWJXNOD-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387665 1392732790 /nfs/dbraw/zinc/73/27/90/1392732790.db2.gz SMRCINVDWJXNOD-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H]([NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001490687683 1394295864 /nfs/dbraw/zinc/29/58/64/1394295864.db2.gz TWHJFDXHFAPAEK-CRAIPNDOSA-N 2 2 348.450 3.194 20 0 EGADLP CC(C)C[NH2+]C[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001481938502 1394605889 /nfs/dbraw/zinc/60/58/89/1394605889.db2.gz HSMGNHZDRDVKOY-FQEVSTJZSA-N 2 2 340.471 3.016 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001483968957 1395168837 /nfs/dbraw/zinc/16/88/37/1395168837.db2.gz SLGXZMAPPRQTJP-UHFFFAOYSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484356399 1395344392 /nfs/dbraw/zinc/34/43/92/1395344392.db2.gz CPARQVDQYPRVHH-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCC2)CC1 ZINC001484636957 1395457274 /nfs/dbraw/zinc/45/72/74/1395457274.db2.gz LXVVGBVZMSCTJX-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP CC1(C)CCC(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCC2)CC1 ZINC001484636957 1395457278 /nfs/dbraw/zinc/45/72/78/1395457278.db2.gz LXVVGBVZMSCTJX-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001484876125 1395580361 /nfs/dbraw/zinc/58/03/61/1395580361.db2.gz YNENRBBROYEKPE-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP CCC(CC)C[N@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001484876125 1395580366 /nfs/dbraw/zinc/58/03/66/1395580366.db2.gz YNENRBBROYEKPE-UHFFFAOYSA-N 2 2 340.471 3.020 20 0 EGADLP C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccccc1Cl)n1cc[nH+]c1 ZINC001492090305 1396303629 /nfs/dbraw/zinc/30/36/29/1396303629.db2.gz RENBJLVTHMTLFC-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP C[C@H](CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001494599333 1396483238 /nfs/dbraw/zinc/48/32/38/1396483238.db2.gz SMXRDASFSNEKLP-MRXNPFEDSA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292371 1404452730 /nfs/dbraw/zinc/45/27/30/1404452730.db2.gz USLPKSDIYKGAKK-XIRDDKMYSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001690292371 1404452734 /nfs/dbraw/zinc/45/27/34/1404452734.db2.gz USLPKSDIYKGAKK-XIRDDKMYSA-N 2 2 346.519 3.042 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001690487856 1404602118 /nfs/dbraw/zinc/60/21/18/1404602118.db2.gz AZNIJDDXQPKSBU-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001690504405 1404617173 /nfs/dbraw/zinc/61/71/73/1404617173.db2.gz DATLNMHFJYCZLC-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001690504405 1404617174 /nfs/dbraw/zinc/61/71/74/1404617174.db2.gz DATLNMHFJYCZLC-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001690592045 1404643036 /nfs/dbraw/zinc/64/30/36/1404643036.db2.gz RRFUBSQNKQOAIR-GJZGRUSLSA-N 2 2 336.439 3.340 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001690980265 1404890705 /nfs/dbraw/zinc/89/07/05/1404890705.db2.gz BOESVJZJKKZXNF-YJBOKZPZSA-N 2 2 346.450 3.173 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001690980265 1404890713 /nfs/dbraw/zinc/89/07/13/1404890713.db2.gz BOESVJZJKKZXNF-YJBOKZPZSA-N 2 2 346.450 3.173 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001691856281 1405572516 /nfs/dbraw/zinc/57/25/16/1405572516.db2.gz GVDZQNRBWKOAFS-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001691856281 1405572518 /nfs/dbraw/zinc/57/25/18/1405572518.db2.gz GVDZQNRBWKOAFS-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCC1 ZINC001732206595 1428456260 /nfs/dbraw/zinc/45/62/60/1428456260.db2.gz DMKARXODIAQCEL-INIZCTEOSA-N 2 2 328.460 3.013 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001700129328 1413544736 /nfs/dbraw/zinc/54/47/36/1413544736.db2.gz QVISJEBDTMYVPE-FUHWJXTLSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001700129328 1413544740 /nfs/dbraw/zinc/54/47/40/1413544740.db2.gz QVISJEBDTMYVPE-FUHWJXTLSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001700182086 1413596641 /nfs/dbraw/zinc/59/66/41/1413596641.db2.gz NKZAGCVVYOOYEN-RBUKOAKNSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001700182086 1413596643 /nfs/dbraw/zinc/59/66/43/1413596643.db2.gz NKZAGCVVYOOYEN-RBUKOAKNSA-N 2 2 348.535 3.316 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC1CCCC1 ZINC001700363747 1413882353 /nfs/dbraw/zinc/88/23/53/1413882353.db2.gz MCQQGMUNQYOAFH-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC1CCCC1 ZINC001700363747 1413882357 /nfs/dbraw/zinc/88/23/57/1413882357.db2.gz MCQQGMUNQYOAFH-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP CC[NH2+]C1(CNC(=O)C(C)(C)CC)CC[NH+](Cc2ccccc2)CC1 ZINC001701013313 1414674336 /nfs/dbraw/zinc/67/43/36/1414674336.db2.gz XQDMIEYYYIOKFT-UHFFFAOYSA-N 2 2 345.531 3.183 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732799976 1428980570 /nfs/dbraw/zinc/98/05/70/1428980570.db2.gz UTXCIKHZAYGSRX-ZWKOTPCHSA-N 2 2 342.487 3.342 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733001292 1429122845 /nfs/dbraw/zinc/12/28/45/1429122845.db2.gz DJBWDPUHWORPJZ-LBPRGKRZSA-N 2 2 342.830 3.124 20 0 EGADLP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001733007030 1429127403 /nfs/dbraw/zinc/12/74/03/1429127403.db2.gz OHRSKWLUTPZWBR-KRWDZBQOSA-N 2 2 348.450 3.089 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001713000239 1417553731 /nfs/dbraw/zinc/55/37/31/1417553731.db2.gz QYFBQCPSBMXIJV-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001713000239 1417553737 /nfs/dbraw/zinc/55/37/37/1417553737.db2.gz QYFBQCPSBMXIJV-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](C[N@@H+](C)CC(C)C)C3)ccn12 ZINC001713130890 1417704167 /nfs/dbraw/zinc/70/41/67/1417704167.db2.gz RCCUTEVPLXJMCB-QGZVFWFLSA-N 2 2 342.487 3.083 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](C[N@H+](C)CC(C)C)C3)ccn12 ZINC001713130890 1417704169 /nfs/dbraw/zinc/70/41/69/1417704169.db2.gz RCCUTEVPLXJMCB-QGZVFWFLSA-N 2 2 342.487 3.083 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)CCNC(=O)c2cccc3[nH+]ccn32)cs1 ZINC001713412346 1418035431 /nfs/dbraw/zinc/03/54/31/1418035431.db2.gz LVWNOASXXVNPSK-CYBMUJFWSA-N 2 2 342.468 3.002 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001713852091 1418648552 /nfs/dbraw/zinc/64/85/52/1418648552.db2.gz IQNCJFUEZBWLLI-OXQOHEQNSA-N 2 2 345.531 3.258 20 0 EGADLP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CC1CCCCC1 ZINC001714075301 1418869620 /nfs/dbraw/zinc/86/96/20/1418869620.db2.gz WIZUGDHOJJRLCJ-GOSISDBHSA-N 2 2 342.487 3.321 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001714131461 1418935008 /nfs/dbraw/zinc/93/50/08/1418935008.db2.gz MPEUUUURCGRETH-QGZVFWFLSA-N 2 2 342.487 3.355 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001714831717 1419542176 /nfs/dbraw/zinc/54/21/76/1419542176.db2.gz JBVRUBBZNOLHCC-HNNXBMFYSA-N 2 2 342.487 3.021 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001714881936 1419619335 /nfs/dbraw/zinc/61/93/35/1419619335.db2.gz ZJCGSNITCGZTNA-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001714881936 1419619338 /nfs/dbraw/zinc/61/93/38/1419619338.db2.gz ZJCGSNITCGZTNA-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)C[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001715201631 1419934732 /nfs/dbraw/zinc/93/47/32/1419934732.db2.gz HQTOIAVUTAEVRT-UHFFFAOYSA-N 2 2 328.460 3.051 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001716242974 1420579191 /nfs/dbraw/zinc/57/91/91/1420579191.db2.gz TZFJWGZAULDGSV-HZPDHXFCSA-N 2 2 346.450 3.173 20 0 EGADLP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717369125 1421306221 /nfs/dbraw/zinc/30/62/21/1421306221.db2.gz JWUDGIDERNMSSS-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717369125 1421306227 /nfs/dbraw/zinc/30/62/27/1421306227.db2.gz JWUDGIDERNMSSS-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001717731006 1421596908 /nfs/dbraw/zinc/59/69/08/1421596908.db2.gz HQHUKRIUCJKUGZ-LJQANCHMSA-N 2 2 346.519 3.139 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001717731006 1421596909 /nfs/dbraw/zinc/59/69/09/1421596909.db2.gz HQHUKRIUCJKUGZ-LJQANCHMSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001733361537 1429545929 /nfs/dbraw/zinc/54/59/29/1429545929.db2.gz ZXXMAVWCYNWGGG-ROUUACIJSA-N 2 2 348.535 3.487 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCCC1CCC1 ZINC001725626682 1426293341 /nfs/dbraw/zinc/29/33/41/1426293341.db2.gz PWXPFBJDCZHQDL-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCCC1CCC1 ZINC001725626682 1426293343 /nfs/dbraw/zinc/29/33/43/1426293343.db2.gz PWXPFBJDCZHQDL-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)c1 ZINC001725749159 1426427675 /nfs/dbraw/zinc/42/76/75/1426427675.db2.gz BGXVKCFVVSHFPN-MAUKXSAKSA-N 2 2 342.487 3.142 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731850568 1428078634 /nfs/dbraw/zinc/07/86/34/1428078634.db2.gz OBWNMTJLHUATCR-INIZCTEOSA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731850568 1428078637 /nfs/dbraw/zinc/07/86/37/1428078637.db2.gz OBWNMTJLHUATCR-INIZCTEOSA-N 2 2 342.487 3.212 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001752827603 1440224433 /nfs/dbraw/zinc/22/44/33/1440224433.db2.gz LCVWHEGYCAUIPI-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001752827603 1440224434 /nfs/dbraw/zinc/22/44/34/1440224434.db2.gz LCVWHEGYCAUIPI-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837132 1440228368 /nfs/dbraw/zinc/22/83/68/1440228368.db2.gz RBBPBQXJSCQLIY-SJORKVTESA-N 2 2 347.503 3.040 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837132 1440228369 /nfs/dbraw/zinc/22/83/69/1440228369.db2.gz RBBPBQXJSCQLIY-SJORKVTESA-N 2 2 347.503 3.040 20 0 EGADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCC1 ZINC001753011685 1440267153 /nfs/dbraw/zinc/26/71/53/1440267153.db2.gz XLBXCBQIAPDMNG-OAHLLOKOSA-N 2 2 328.460 3.013 20 0 EGADLP CC[C@H](C)C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001753289579 1440349917 /nfs/dbraw/zinc/34/99/17/1440349917.db2.gz MKZZHMYZHGRYOI-INIZCTEOSA-N 2 2 330.476 3.211 20 0 EGADLP CC[C@H](C)C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001753289579 1440349918 /nfs/dbraw/zinc/34/99/18/1440349918.db2.gz MKZZHMYZHGRYOI-INIZCTEOSA-N 2 2 330.476 3.211 20 0 EGADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001753461735 1440411274 /nfs/dbraw/zinc/41/12/74/1440411274.db2.gz MXLCJQKNQYMKDU-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001753461735 1440411275 /nfs/dbraw/zinc/41/12/75/1440411275.db2.gz MXLCJQKNQYMKDU-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753600985 1440446451 /nfs/dbraw/zinc/44/64/51/1440446451.db2.gz QTHPAKCVZUGUFA-MRXNPFEDSA-N 2 2 328.460 3.337 20 0 EGADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001753810699 1440492745 /nfs/dbraw/zinc/49/27/45/1440492745.db2.gz BIOMIARKUNKPNR-FUHWJXTLSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001753814686 1440493563 /nfs/dbraw/zinc/49/35/63/1440493563.db2.gz VHBUEUVWMZWWSW-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001753868085 1440515824 /nfs/dbraw/zinc/51/58/24/1440515824.db2.gz RIHDIMFIWYAYHW-KRWDZBQOSA-N 2 2 342.487 3.029 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001753868085 1440515825 /nfs/dbraw/zinc/51/58/25/1440515825.db2.gz RIHDIMFIWYAYHW-KRWDZBQOSA-N 2 2 342.487 3.029 20 0 EGADLP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001753976257 1440527499 /nfs/dbraw/zinc/52/74/99/1440527499.db2.gz VSHASKQIHOXXSW-GFCCVEGCSA-N 2 2 342.468 3.231 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001754231129 1440554170 /nfs/dbraw/zinc/55/41/70/1440554170.db2.gz CCNDFJDPADQORZ-HUUCEWRRSA-N 2 2 336.439 3.340 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754231867 1440554255 /nfs/dbraw/zinc/55/42/55/1440554255.db2.gz TZLXZDVFJSGIEI-AUUYWEPGSA-N 2 2 348.450 3.348 20 0 EGADLP C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320482 1440577823 /nfs/dbraw/zinc/57/78/23/1440577823.db2.gz VKRRMDHFWFDKGG-MRXNPFEDSA-N 2 2 340.471 3.275 20 0 EGADLP C[C@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320482 1440577824 /nfs/dbraw/zinc/57/78/24/1440577824.db2.gz VKRRMDHFWFDKGG-MRXNPFEDSA-N 2 2 340.471 3.275 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001754343406 1440589146 /nfs/dbraw/zinc/58/91/46/1440589146.db2.gz SYNXSQSIKJSMDJ-JSGCOSHPSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001754343406 1440589147 /nfs/dbraw/zinc/58/91/47/1440589147.db2.gz SYNXSQSIKJSMDJ-JSGCOSHPSA-N 2 2 348.878 3.112 20 0 EGADLP C[C@@H]([NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001754377298 1440593075 /nfs/dbraw/zinc/59/30/75/1440593075.db2.gz UOMYNFQBMXIBQL-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H]([NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC001754377298 1440593076 /nfs/dbraw/zinc/59/30/76/1440593076.db2.gz UOMYNFQBMXIBQL-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@H](CC(=O)N(C)CCC[NH2+]CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001754399707 1440594952 /nfs/dbraw/zinc/59/49/52/1440594952.db2.gz ILXHPOFXBKTHPG-LXPRWKDFSA-N 2 2 334.508 3.099 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001754720467 1440673017 /nfs/dbraw/zinc/67/30/17/1440673017.db2.gz MWMWTPAYOJZQCZ-QGZVFWFLSA-N 2 2 348.535 3.271 20 0 EGADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CC2CCCCCC2)C1 ZINC001754730094 1440678587 /nfs/dbraw/zinc/67/85/87/1440678587.db2.gz COBOHQBEPWNFPR-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CC2CCCCCC2)C1 ZINC001754730094 1440678588 /nfs/dbraw/zinc/67/85/88/1440678588.db2.gz COBOHQBEPWNFPR-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755024721 1440728142 /nfs/dbraw/zinc/72/81/42/1440728142.db2.gz HHBQWTMQXHRIPV-MRXNPFEDSA-N 2 2 328.460 3.337 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755024721 1440728143 /nfs/dbraw/zinc/72/81/43/1440728143.db2.gz HHBQWTMQXHRIPV-MRXNPFEDSA-N 2 2 328.460 3.337 20 0 EGADLP CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755069715 1440746201 /nfs/dbraw/zinc/74/62/01/1440746201.db2.gz DPWGOCPUFNGBHT-QGZVFWFLSA-N 2 2 334.508 3.241 20 0 EGADLP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755073215 1440747342 /nfs/dbraw/zinc/74/73/42/1440747342.db2.gz LCMBHFRXUQYNMP-FPLPWBNLSA-N 2 2 346.519 3.404 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001755167286 1440767502 /nfs/dbraw/zinc/76/75/02/1440767502.db2.gz MJUVNKPJXWJPNK-GDBMZVCRSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001755167286 1440767503 /nfs/dbraw/zinc/76/75/03/1440767503.db2.gz MJUVNKPJXWJPNK-GDBMZVCRSA-N 2 2 334.508 3.056 20 0 EGADLP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530603 1440867138 /nfs/dbraw/zinc/86/71/38/1440867138.db2.gz JOGJUBQGTJMLMH-MJGOQNOKSA-N 2 2 348.535 3.439 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530603 1440867139 /nfs/dbraw/zinc/86/71/39/1440867139.db2.gz JOGJUBQGTJMLMH-MJGOQNOKSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)CCC[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001755537229 1440870031 /nfs/dbraw/zinc/87/00/31/1440870031.db2.gz MSSQGQZVNXVYJW-UHFFFAOYSA-N 2 2 334.508 3.022 20 0 EGADLP CC(C)CCC[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001755537229 1440870032 /nfs/dbraw/zinc/87/00/32/1440870032.db2.gz MSSQGQZVNXVYJW-UHFFFAOYSA-N 2 2 334.508 3.022 20 0 EGADLP CC(C)[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCC(C)(C)C ZINC001755549893 1440871734 /nfs/dbraw/zinc/87/17/34/1440871734.db2.gz IBGQMSWJCFLNCS-SJLPKXTDSA-N 2 2 348.535 3.002 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001755590480 1440881496 /nfs/dbraw/zinc/88/14/96/1440881496.db2.gz OKBDPXHHSIVHFM-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)N(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755814936 1440922975 /nfs/dbraw/zinc/92/29/75/1440922975.db2.gz URHFVTWNJSQMLJ-QGZVFWFLSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)N(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755814936 1440922976 /nfs/dbraw/zinc/92/29/76/1440922976.db2.gz URHFVTWNJSQMLJ-QGZVFWFLSA-N 2 2 348.535 3.439 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)c(C)[nH+]1 ZINC001755828975 1440928174 /nfs/dbraw/zinc/92/81/74/1440928174.db2.gz VAPIEIZVOJVLBJ-BBRMVZONSA-N 2 2 337.483 3.489 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001755834685 1440929777 /nfs/dbraw/zinc/92/97/77/1440929777.db2.gz JGUYJZCRRAJQIS-KRWDZBQOSA-N 2 2 348.535 3.433 20 0 EGADLP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755856624 1440935796 /nfs/dbraw/zinc/93/57/96/1440935796.db2.gz GHZHHFWJFZLTEV-WAYWQWQTSA-N 2 2 340.471 3.192 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]CCCC(C)(C)C)C2)c[nH+]1 ZINC001755858559 1440936267 /nfs/dbraw/zinc/93/62/67/1440936267.db2.gz JFBMPLQLUCVQAH-UHFFFAOYSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1c[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C ZINC001164908675 721558172 /nfs/dbraw/zinc/55/81/72/721558172.db2.gz RNSATDATLUYLNR-IEBWSBKVSA-N 2 2 341.430 3.179 20 0 EGADLP Cc1c[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C ZINC001164908675 721558179 /nfs/dbraw/zinc/55/81/79/721558179.db2.gz RNSATDATLUYLNR-IEBWSBKVSA-N 2 2 341.430 3.179 20 0 EGADLP Cc1c[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C ZINC001164908673 721558591 /nfs/dbraw/zinc/55/85/91/721558591.db2.gz RNSATDATLUYLNR-HKUYNNGSSA-N 2 2 341.430 3.179 20 0 EGADLP Cc1c[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C ZINC001164908673 721558595 /nfs/dbraw/zinc/55/85/95/721558595.db2.gz RNSATDATLUYLNR-HKUYNNGSSA-N 2 2 341.430 3.179 20 0 EGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048091 721974559 /nfs/dbraw/zinc/97/45/59/721974559.db2.gz IYEJNGSXWCYVLJ-QGZVFWFLSA-N 2 2 330.476 3.193 20 0 EGADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647551 529535666 /nfs/dbraw/zinc/53/56/66/529535666.db2.gz UPWWXKSSTGZHGU-QGZVFWFLSA-N 2 2 338.455 3.017 20 0 EGADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647551 529535671 /nfs/dbraw/zinc/53/56/71/529535671.db2.gz UPWWXKSSTGZHGU-QGZVFWFLSA-N 2 2 338.455 3.017 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000037320220 213140113 /nfs/dbraw/zinc/14/01/13/213140113.db2.gz OHFYSOZQYWYVCO-RYUDHWBXSA-N 2 2 338.249 3.394 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072089514 216006268 /nfs/dbraw/zinc/00/62/68/216006268.db2.gz OWUWVXNMTICTMG-OAHLLOKOSA-N 2 2 339.439 3.086 20 0 EGADLP CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C[NH3+])cc3)n2)CC1 ZINC000236641100 242303335 /nfs/dbraw/zinc/30/33/35/242303335.db2.gz GRBDBRLRNZWSFX-UHFFFAOYSA-N 2 2 344.484 3.086 20 0 EGADLP c1coc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCCC2)c1 ZINC000236663698 242310909 /nfs/dbraw/zinc/31/09/09/242310909.db2.gz IQLPSVOTKFSQLT-IBGZPJMESA-N 2 2 336.439 3.392 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1Br ZINC000153157415 296131055 /nfs/dbraw/zinc/13/10/55/296131055.db2.gz JWQHSBSMONMISJ-UONOGXRCSA-N 2 2 341.293 3.068 20 0 EGADLP C[C@H]([NH3+])CCC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000262889348 245233362 /nfs/dbraw/zinc/23/33/62/245233362.db2.gz WRWUJNMZKHYMPN-LBPRGKRZSA-N 2 2 340.402 3.359 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCC2CC[NH+](C)CC2)c1C ZINC000264942609 247068597 /nfs/dbraw/zinc/06/85/97/247068597.db2.gz IULBLGHWOAGQSI-UHFFFAOYSA-N 2 2 325.460 3.299 20 0 EGADLP C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000264914288 247039626 /nfs/dbraw/zinc/03/96/26/247039626.db2.gz OQCSHRRJWYURGC-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000264914288 247039635 /nfs/dbraw/zinc/03/96/35/247039635.db2.gz OQCSHRRJWYURGC-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP Cc1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377338447 169012427 /nfs/dbraw/zinc/01/24/27/169012427.db2.gz XUNLZLJZRASUOW-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377338447 169012428 /nfs/dbraw/zinc/01/24/28/169012428.db2.gz XUNLZLJZRASUOW-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377338447 169012430 /nfs/dbraw/zinc/01/24/30/169012430.db2.gz XUNLZLJZRASUOW-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377338447 169012431 /nfs/dbraw/zinc/01/24/31/169012431.db2.gz XUNLZLJZRASUOW-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000377348538 169013721 /nfs/dbraw/zinc/01/37/21/169013721.db2.gz VNVQSWVDGKFULL-JXFKEZNVSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)cc12 ZINC000377348538 169013722 /nfs/dbraw/zinc/01/37/22/169013722.db2.gz VNVQSWVDGKFULL-JXFKEZNVSA-N 2 2 349.482 3.029 20 0 EGADLP CC(C)n1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1 ZINC000377410739 169022255 /nfs/dbraw/zinc/02/22/55/169022255.db2.gz XPYFGHWSSMYTEY-INIZCTEOSA-N 2 2 327.476 3.174 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000377540471 169038201 /nfs/dbraw/zinc/03/82/01/169038201.db2.gz JRCCXTLKKXAGBJ-JYJNAYRXSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000377540471 169038203 /nfs/dbraw/zinc/03/82/03/169038203.db2.gz JRCCXTLKKXAGBJ-JYJNAYRXSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000377540471 169038205 /nfs/dbraw/zinc/03/82/05/169038205.db2.gz JRCCXTLKKXAGBJ-JYJNAYRXSA-N 2 2 337.533 3.283 20 0 EGADLP C[C@H](O)c1ncc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000377540471 169038208 /nfs/dbraw/zinc/03/82/08/169038208.db2.gz JRCCXTLKKXAGBJ-JYJNAYRXSA-N 2 2 337.533 3.283 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000377681258 169058925 /nfs/dbraw/zinc/05/89/25/169058925.db2.gz RCRSNXAMDHTWHZ-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)C1 ZINC000378351568 169105553 /nfs/dbraw/zinc/10/55/53/169105553.db2.gz AHKRGBPZONIYBJ-QGZVFWFLSA-N 2 2 348.560 3.013 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000092066062 218113245 /nfs/dbraw/zinc/11/32/45/218113245.db2.gz IBUWRFUGJDDGSL-DNVCBOLYSA-N 2 2 330.472 3.153 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000092066062 218113247 /nfs/dbraw/zinc/11/32/47/218113247.db2.gz IBUWRFUGJDDGSL-DNVCBOLYSA-N 2 2 330.472 3.153 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000092066062 218113250 /nfs/dbraw/zinc/11/32/50/218113250.db2.gz IBUWRFUGJDDGSL-DNVCBOLYSA-N 2 2 330.472 3.153 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000092066062 218113252 /nfs/dbraw/zinc/11/32/52/218113252.db2.gz IBUWRFUGJDDGSL-DNVCBOLYSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1OC(F)F ZINC000092648702 218155804 /nfs/dbraw/zinc/15/58/04/218155804.db2.gz DTILJCTYUQNRSA-UHFFFAOYSA-N 2 2 337.370 3.330 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648714 218155422 /nfs/dbraw/zinc/15/54/22/218155422.db2.gz HCUWETCCXRWCEO-UHFFFAOYSA-N 2 2 325.391 3.249 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC)c1OC ZINC000093683489 218242030 /nfs/dbraw/zinc/24/20/30/218242030.db2.gz ICNHXURLEFNKJD-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(OC)c1OC ZINC000093683489 218242033 /nfs/dbraw/zinc/24/20/33/218242033.db2.gz ICNHXURLEFNKJD-MRXNPFEDSA-N 2 2 348.487 3.020 20 0 EGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093663978 218240569 /nfs/dbraw/zinc/24/05/69/218240569.db2.gz IRQLLMUJWSXCMM-GOSISDBHSA-N 2 2 344.499 3.162 20 0 EGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093663978 218240571 /nfs/dbraw/zinc/24/05/71/218240571.db2.gz IRQLLMUJWSXCMM-GOSISDBHSA-N 2 2 344.499 3.162 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c[nH+]1 ZINC000268780386 252230887 /nfs/dbraw/zinc/23/08/87/252230887.db2.gz SXDNZRVUUYUIJS-UHFFFAOYSA-N 3 2 347.466 3.085 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]C2CCN(c3ccccn3)CC2)c[nH+]1 ZINC000268780386 252230891 /nfs/dbraw/zinc/23/08/91/252230891.db2.gz SXDNZRVUUYUIJS-UHFFFAOYSA-N 2 2 347.466 3.085 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2)o1 ZINC000268808889 252261505 /nfs/dbraw/zinc/26/15/05/252261505.db2.gz DLXUTYCFKZEWPY-INIZCTEOSA-N 2 2 328.456 3.444 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000268854070 252302094 /nfs/dbraw/zinc/30/20/94/252302094.db2.gz XGOYJFAKLFNHCN-KGLIPLIRSA-N 2 2 327.407 3.256 20 0 EGADLP Oc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000154417185 224250686 /nfs/dbraw/zinc/25/06/86/224250686.db2.gz XILGXJVLXYIWPJ-UHFFFAOYSA-N 2 2 328.431 3.328 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843597 221194545 /nfs/dbraw/zinc/19/45/45/221194545.db2.gz XXIUSZVGSALANB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843597 221194550 /nfs/dbraw/zinc/19/45/50/221194550.db2.gz XXIUSZVGSALANB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843597 221194551 /nfs/dbraw/zinc/19/45/51/221194551.db2.gz XXIUSZVGSALANB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843597 221194555 /nfs/dbraw/zinc/19/45/55/221194555.db2.gz XXIUSZVGSALANB-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000118823663 221189456 /nfs/dbraw/zinc/18/94/56/221189456.db2.gz CJAJVXQJQUUTPM-HNNXBMFYSA-N 2 2 340.427 3.289 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ncc(Br)cc1F ZINC000186948599 533380325 /nfs/dbraw/zinc/38/03/25/533380325.db2.gz SCBZSZHHMMNSHU-LLVKDONJSA-N 2 2 330.245 3.120 20 0 EGADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC000159017146 533533096 /nfs/dbraw/zinc/53/30/96/533533096.db2.gz DHODXDNPMDABHS-HZPDHXFCSA-N 2 2 342.462 3.384 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000153672768 533626248 /nfs/dbraw/zinc/62/62/48/533626248.db2.gz QGWZJRAEZODKKC-OAHLLOKOSA-N 2 2 344.890 3.489 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000153672768 533626251 /nfs/dbraw/zinc/62/62/51/533626251.db2.gz QGWZJRAEZODKKC-OAHLLOKOSA-N 2 2 344.890 3.489 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246936501 141044640 /nfs/dbraw/zinc/04/46/40/141044640.db2.gz HJQNEDNGQGISHA-FVJLSDCUSA-N 2 2 339.483 3.218 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246936501 141044644 /nfs/dbraw/zinc/04/46/44/141044644.db2.gz HJQNEDNGQGISHA-FVJLSDCUSA-N 2 2 339.483 3.218 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246985536 141047410 /nfs/dbraw/zinc/04/74/10/141047410.db2.gz JZNDJAWVIFRHQZ-FIKGOQFSSA-N 2 2 339.483 3.135 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246985536 141047411 /nfs/dbraw/zinc/04/74/11/141047411.db2.gz JZNDJAWVIFRHQZ-FIKGOQFSSA-N 2 2 339.483 3.135 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000268852776 141059452 /nfs/dbraw/zinc/05/94/52/141059452.db2.gz PNDJGGKZORJDDE-RDJZCZTQSA-N 2 2 343.471 3.026 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2ccccc2o1 ZINC000268852776 141059454 /nfs/dbraw/zinc/05/94/54/141059454.db2.gz PNDJGGKZORJDDE-RDJZCZTQSA-N 2 2 343.471 3.026 20 0 EGADLP Cc1ncccc1C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000342978631 141154834 /nfs/dbraw/zinc/15/48/34/141154834.db2.gz KFGIVKPQEMUQFR-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP Cc1ncccc1C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000342978631 141154835 /nfs/dbraw/zinc/15/48/35/141154835.db2.gz KFGIVKPQEMUQFR-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cccc(Cl)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000344513256 141166979 /nfs/dbraw/zinc/16/69/79/141166979.db2.gz LFACJQFXNPQGNT-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nccn1Cc1ccccc1)CCC2 ZINC000344528821 141169437 /nfs/dbraw/zinc/16/94/37/141169437.db2.gz BBTWQCPLTJOPKS-SFHVURJKSA-N 2 2 335.455 3.104 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2[nH+]c1C(C)(C)C ZINC000346270899 141189493 /nfs/dbraw/zinc/18/94/93/141189493.db2.gz MDZMAFZIEUCZRS-QWHCGFSZSA-N 2 2 328.460 3.327 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000359616438 141386126 /nfs/dbraw/zinc/38/61/26/141386126.db2.gz GIAVXPUDRZEJLF-MRXNPFEDSA-N 2 2 327.476 3.102 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000359622292 141388231 /nfs/dbraw/zinc/38/82/31/141388231.db2.gz RHQMMTIPPDMJFW-OAHLLOKOSA-N 2 2 327.476 3.101 20 0 EGADLP COc1ccc2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)sc2c1 ZINC000187138500 144152810 /nfs/dbraw/zinc/15/28/10/144152810.db2.gz PCLUHUZEECWPAF-UHFFFAOYSA-N 2 2 328.441 3.339 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCO[C@H]1CCCCO1 ZINC000344683393 144209137 /nfs/dbraw/zinc/20/91/37/144209137.db2.gz VQWWGOKLQOWRJP-IBGZPJMESA-N 2 2 334.504 3.420 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCO[C@H]1CCCCO1 ZINC000344683393 144209138 /nfs/dbraw/zinc/20/91/38/144209138.db2.gz VQWWGOKLQOWRJP-IBGZPJMESA-N 2 2 334.504 3.420 20 0 EGADLP CCCN(CC[NH+](C)C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000344834103 144228602 /nfs/dbraw/zinc/22/86/02/144228602.db2.gz RUPSZIDTWKTRJK-UHFFFAOYSA-N 2 2 327.428 3.288 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@@H]12 ZINC000351494992 144269377 /nfs/dbraw/zinc/26/93/77/144269377.db2.gz OPUPOEDUPILPAU-CSMYWGQOSA-N 2 2 347.459 3.030 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(COc4ccc(F)cc4)n3)C[C@@H]12 ZINC000351494992 144269378 /nfs/dbraw/zinc/26/93/78/144269378.db2.gz OPUPOEDUPILPAU-CSMYWGQOSA-N 2 2 347.459 3.030 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CC3CC3)C3CCC3)c2cc1C ZINC000361578920 144331471 /nfs/dbraw/zinc/33/14/71/144331471.db2.gz AVDZYNFHPFCBOS-SFHVURJKSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](CC3CC3)C3CCC3)c2cc1C ZINC000361578920 144331473 /nfs/dbraw/zinc/33/14/73/144331473.db2.gz AVDZYNFHPFCBOS-SFHVURJKSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000361678933 144349004 /nfs/dbraw/zinc/34/90/04/144349004.db2.gz RXQWTIFNIBBQBR-FHWLQOOXSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1 ZINC000361678933 144349005 /nfs/dbraw/zinc/34/90/05/144349005.db2.gz RXQWTIFNIBBQBR-FHWLQOOXSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000361678933 144349006 /nfs/dbraw/zinc/34/90/06/144349006.db2.gz RXQWTIFNIBBQBR-FHWLQOOXSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000361678933 144349007 /nfs/dbraw/zinc/34/90/07/144349007.db2.gz RXQWTIFNIBBQBR-FHWLQOOXSA-N 2 2 343.515 3.355 20 0 EGADLP Cc1c[nH+]c(CNC[C@H](c2cccs2)[NH+]2CCC(C)CC2)n1C ZINC000341074844 155142102 /nfs/dbraw/zinc/14/21/02/155142102.db2.gz GINASUIAOJCJER-MRXNPFEDSA-N 2 2 332.517 3.353 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000341336445 155239140 /nfs/dbraw/zinc/23/91/40/155239140.db2.gz IDGGGMQGKIWLBP-WIYYLYMNSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341336445 155239141 /nfs/dbraw/zinc/23/91/41/155239141.db2.gz IDGGGMQGKIWLBP-WIYYLYMNSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1cc(Nc2cccc(C[NH+]3CCSCC3)c2)nc(C2CC2)[nH+]1 ZINC000341478944 155314813 /nfs/dbraw/zinc/31/48/13/155314813.db2.gz HKRNKDXRSMBCFO-UHFFFAOYSA-N 2 2 340.496 3.377 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC000116262024 152051809 /nfs/dbraw/zinc/05/18/09/152051809.db2.gz JDFHASDUWFRBIK-PBHICJAKSA-N 2 2 332.492 3.211 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC000116262024 152051817 /nfs/dbraw/zinc/05/18/17/152051817.db2.gz JDFHASDUWFRBIK-PBHICJAKSA-N 2 2 332.492 3.211 20 0 EGADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000341529682 155337223 /nfs/dbraw/zinc/33/72/23/155337223.db2.gz IABXNBFXAMKHIR-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP COCc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000122114832 152389912 /nfs/dbraw/zinc/38/99/12/152389912.db2.gz OHEMTYYIHBWFND-UTKZUKDTSA-N 2 2 339.483 3.228 20 0 EGADLP COCc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000122114832 152389916 /nfs/dbraw/zinc/38/99/16/152389916.db2.gz OHEMTYYIHBWFND-UTKZUKDTSA-N 2 2 339.483 3.228 20 0 EGADLP CCOC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000189244721 153059230 /nfs/dbraw/zinc/05/92/30/153059230.db2.gz OGJCWGQFJNCAMK-CLPROHDKSA-N 2 2 331.504 3.087 20 0 EGADLP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000189244721 153059237 /nfs/dbraw/zinc/05/92/37/153059237.db2.gz OGJCWGQFJNCAMK-CLPROHDKSA-N 2 2 331.504 3.087 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000189425107 153069467 /nfs/dbraw/zinc/06/94/67/153069467.db2.gz DDYVUWWTRNSXSF-ZDUSSCGKSA-N 2 2 344.368 3.008 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000189425107 153069471 /nfs/dbraw/zinc/06/94/71/153069471.db2.gz DDYVUWWTRNSXSF-ZDUSSCGKSA-N 2 2 344.368 3.008 20 0 EGADLP Cc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000189468291 153072742 /nfs/dbraw/zinc/07/27/42/153072742.db2.gz LCIIFKXBSLAWPB-FQEVSTJZSA-N 2 2 337.467 3.468 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@H+](CC3CCCCC3)CC2)c1OC ZINC000190419373 153140030 /nfs/dbraw/zinc/14/00/30/153140030.db2.gz ARSLJTSLJYVNKM-UHFFFAOYSA-N 2 2 347.503 3.187 20 0 EGADLP COc1cc[nH+]c(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1OC ZINC000190419373 153140034 /nfs/dbraw/zinc/14/00/34/153140034.db2.gz ARSLJTSLJYVNKM-UHFFFAOYSA-N 2 2 347.503 3.187 20 0 EGADLP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC000190870369 153162926 /nfs/dbraw/zinc/16/29/26/153162926.db2.gz LHDABBZJZFMGLG-UHFFFAOYSA-N 2 2 326.375 3.013 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000191315974 153186204 /nfs/dbraw/zinc/18/62/04/153186204.db2.gz FQWFQZBSUNZTMJ-FXAWDEMLSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000191315974 153186208 /nfs/dbraw/zinc/18/62/08/153186208.db2.gz FQWFQZBSUNZTMJ-FXAWDEMLSA-N 2 2 338.499 3.290 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000194669098 153352097 /nfs/dbraw/zinc/35/20/97/153352097.db2.gz JRESLDKJQCYKTP-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+](CCO)CC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000337315343 154279477 /nfs/dbraw/zinc/27/94/77/154279477.db2.gz XDEAYKVSHLYNIR-OWBHPGMISA-N 2 2 330.394 3.013 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000337315343 154279478 /nfs/dbraw/zinc/27/94/78/154279478.db2.gz XDEAYKVSHLYNIR-OWBHPGMISA-N 2 2 330.394 3.013 20 0 EGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000346823170 156153048 /nfs/dbraw/zinc/15/30/48/156153048.db2.gz CJDKGNORBVZRTO-NRFANRHFSA-N 2 2 340.467 3.205 20 0 EGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000346823170 156153052 /nfs/dbraw/zinc/15/30/52/156153052.db2.gz CJDKGNORBVZRTO-NRFANRHFSA-N 2 2 340.467 3.205 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@@H+]1Cc1ccccc1 ZINC000346833146 156156436 /nfs/dbraw/zinc/15/64/36/156156436.db2.gz SDKCZRQMRQHBNE-QFBILLFUSA-N 2 2 334.467 3.358 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@H+]1Cc1ccccc1 ZINC000346833146 156156444 /nfs/dbraw/zinc/15/64/44/156156444.db2.gz SDKCZRQMRQHBNE-QFBILLFUSA-N 2 2 334.467 3.358 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc(Cl)c1OC ZINC000347003148 156240492 /nfs/dbraw/zinc/24/04/92/156240492.db2.gz KYYUTBYLDXOPTB-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc(Cl)c1OC ZINC000347003148 156240497 /nfs/dbraw/zinc/24/04/97/156240497.db2.gz KYYUTBYLDXOPTB-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CCCc2c[nH+]ccc2C)nc1C1CC1 ZINC000349147669 156367170 /nfs/dbraw/zinc/36/71/70/156367170.db2.gz ILPCYBGWNRJVST-UHFFFAOYSA-N 2 2 339.439 3.171 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000352649333 156399187 /nfs/dbraw/zinc/39/91/87/156399187.db2.gz JSCYIIPIGXZINF-KZIRBZLESA-N 2 2 334.529 3.263 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ncc(Br)cc1F ZINC000368752335 157279818 /nfs/dbraw/zinc/27/98/18/157279818.db2.gz BKQUIPMESYBPKD-DRZSPHRISA-N 2 2 342.256 3.261 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ncc(Br)cc1F ZINC000368752335 157279822 /nfs/dbraw/zinc/27/98/22/157279822.db2.gz BKQUIPMESYBPKD-DRZSPHRISA-N 2 2 342.256 3.261 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000125100660 162263431 /nfs/dbraw/zinc/26/34/31/162263431.db2.gz NFXULRURAVRKOZ-UHFFFAOYSA-N 2 2 334.414 3.072 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000130627653 162374137 /nfs/dbraw/zinc/37/41/37/162374137.db2.gz JPZZJYZIVSTJNF-INIZCTEOSA-N 2 2 348.450 3.354 20 0 EGADLP COc1cc(OC)cc(C2(F)CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000338636894 163299871 /nfs/dbraw/zinc/29/98/71/163299871.db2.gz JQGVBXRAIWEHFH-UHFFFAOYSA-N 2 2 347.434 3.251 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1CNc1nc(C)[nH+]c2c1CCCC2 ZINC000338719506 163329773 /nfs/dbraw/zinc/32/97/73/163329773.db2.gz XEURADJKQXGUMB-UHFFFAOYSA-N 2 2 333.439 3.192 20 0 EGADLP CC(C)CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000338777444 163346404 /nfs/dbraw/zinc/34/64/04/163346404.db2.gz ZZZUDMGAFNNXLE-OAQYLSRUSA-N 3 2 344.547 3.398 20 0 EGADLP C[C@@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C[C@@H](C)O1 ZINC000338795287 163351439 /nfs/dbraw/zinc/35/14/39/163351439.db2.gz SOOYYKHQKCESAA-IAGOWNOFSA-N 2 2 331.504 3.229 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000343917671 164066336 /nfs/dbraw/zinc/06/63/36/164066336.db2.gz AXKOAYJCADFJKX-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000343917671 164066338 /nfs/dbraw/zinc/06/63/38/164066338.db2.gz AXKOAYJCADFJKX-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C12CCCCC2 ZINC000344069383 164096468 /nfs/dbraw/zinc/09/64/68/164096468.db2.gz HTEBZJDJKHOQMJ-GVDBMIGSSA-N 2 2 326.550 3.141 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000344088377 164100620 /nfs/dbraw/zinc/10/06/20/164100620.db2.gz QMRKTRBGZGWISO-FUHIMQAGSA-N 2 2 337.467 3.058 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000344088377 164100621 /nfs/dbraw/zinc/10/06/21/164100621.db2.gz QMRKTRBGZGWISO-FUHIMQAGSA-N 2 2 337.467 3.058 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000344088378 164100903 /nfs/dbraw/zinc/10/09/03/164100903.db2.gz QMRKTRBGZGWISO-HLIPFELVSA-N 2 2 337.467 3.058 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000344088378 164100904 /nfs/dbraw/zinc/10/09/04/164100904.db2.gz QMRKTRBGZGWISO-HLIPFELVSA-N 2 2 337.467 3.058 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107085 164104619 /nfs/dbraw/zinc/10/46/19/164104619.db2.gz RFIPAQYPNSKVMI-MSOLQXFVSA-N 2 2 349.494 3.232 20 0 EGADLP CC(C)(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(F)cc1 ZINC000344107085 164104620 /nfs/dbraw/zinc/10/46/20/164104620.db2.gz RFIPAQYPNSKVMI-MSOLQXFVSA-N 2 2 349.494 3.232 20 0 EGADLP CC(C)n1cc2c(n1)C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000344320871 164156240 /nfs/dbraw/zinc/15/62/40/164156240.db2.gz CWXXAOVPYWZZTB-OAHLLOKOSA-N 2 2 341.484 3.358 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862960 166050334 /nfs/dbraw/zinc/05/03/34/166050334.db2.gz XPRXWFUZNAZRFQ-NHCUHLMSSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862960 166050336 /nfs/dbraw/zinc/05/03/36/166050336.db2.gz XPRXWFUZNAZRFQ-NHCUHLMSSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862960 166050338 /nfs/dbraw/zinc/05/03/38/166050338.db2.gz XPRXWFUZNAZRFQ-NHCUHLMSSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000354862960 166050339 /nfs/dbraw/zinc/05/03/39/166050339.db2.gz XPRXWFUZNAZRFQ-NHCUHLMSSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346508887 164388902 /nfs/dbraw/zinc/38/89/02/164388902.db2.gz QXGKDQVIJDWZHN-HNNXBMFYSA-N 2 2 345.830 3.135 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346508887 164388903 /nfs/dbraw/zinc/38/89/03/164388903.db2.gz QXGKDQVIJDWZHN-HNNXBMFYSA-N 2 2 345.830 3.135 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c[nH+]1 ZINC000354928615 166066086 /nfs/dbraw/zinc/06/60/86/166066086.db2.gz UKXTWBUZLJTDAB-LJQANCHMSA-N 2 2 329.488 3.236 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000352091012 165230238 /nfs/dbraw/zinc/23/02/38/165230238.db2.gz CPKXCLQCWBNEHF-RXVVDRJESA-N 2 2 338.451 3.035 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000352091012 165230239 /nfs/dbraw/zinc/23/02/39/165230239.db2.gz CPKXCLQCWBNEHF-RXVVDRJESA-N 2 2 338.451 3.035 20 0 EGADLP CC(C)C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000353503444 165783824 /nfs/dbraw/zinc/78/38/24/165783824.db2.gz VCXSDLBAOCFZTP-SJLPKXTDSA-N 2 2 342.487 3.224 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(Oc3ncccc3F)CC2)c[nH+]1 ZINC000355148134 166117388 /nfs/dbraw/zinc/11/73/88/166117388.db2.gz HVSUMCYRRNSXMZ-UHFFFAOYSA-N 2 2 329.419 3.400 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000355364198 166175206 /nfs/dbraw/zinc/17/52/06/166175206.db2.gz KOXCGGPEKLKQCY-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000355364198 166175209 /nfs/dbraw/zinc/17/52/09/166175209.db2.gz KOXCGGPEKLKQCY-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000359051523 167051521 /nfs/dbraw/zinc/05/15/21/167051521.db2.gz ZUGYCEKOXJRZAE-IEBWSBKVSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000359051523 167051523 /nfs/dbraw/zinc/05/15/23/167051523.db2.gz ZUGYCEKOXJRZAE-IEBWSBKVSA-N 2 2 334.504 3.191 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)c1cn(C)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000359663349 167204517 /nfs/dbraw/zinc/20/45/17/167204517.db2.gz MOKSGQHIODKFOZ-KXBFYZLASA-N 2 2 326.488 3.216 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](C)c1cn(C)nc1C)[N@H+]1CCc2ccccc2C1 ZINC000359663349 167204522 /nfs/dbraw/zinc/20/45/22/167204522.db2.gz MOKSGQHIODKFOZ-KXBFYZLASA-N 2 2 326.488 3.216 20 0 EGADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366184526 168091947 /nfs/dbraw/zinc/09/19/47/168091947.db2.gz AKJRZXJGGUQNJM-QGZVFWFLSA-N 2 2 338.455 3.107 20 0 EGADLP COc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1Cl ZINC000367435130 168225408 /nfs/dbraw/zinc/22/54/08/168225408.db2.gz AVSKAARSEYEEOP-GFCCVEGCSA-N 2 2 343.818 3.175 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367437852 168225629 /nfs/dbraw/zinc/22/56/29/168225629.db2.gz JZGRYNVNUPLGEF-GOEBONIOSA-N 2 2 348.491 3.002 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000122320527 222060491 /nfs/dbraw/zinc/06/04/91/222060491.db2.gz IMTDUECENJJTIX-HZPDHXFCSA-N 2 2 348.491 3.309 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902705 265010212 /nfs/dbraw/zinc/01/02/12/265010212.db2.gz VHKDTWBJVPIHMQ-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902705 265010214 /nfs/dbraw/zinc/01/02/14/265010214.db2.gz VHKDTWBJVPIHMQ-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902705 265010218 /nfs/dbraw/zinc/01/02/18/265010218.db2.gz VHKDTWBJVPIHMQ-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000173902705 265010220 /nfs/dbraw/zinc/01/02/20/265010220.db2.gz VHKDTWBJVPIHMQ-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282534 265166888 /nfs/dbraw/zinc/16/68/88/265166888.db2.gz JUAWPKJOGLBOIS-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282534 265166892 /nfs/dbraw/zinc/16/68/92/265166892.db2.gz JUAWPKJOGLBOIS-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282534 265166893 /nfs/dbraw/zinc/16/68/93/265166893.db2.gz JUAWPKJOGLBOIS-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000176282534 265166897 /nfs/dbraw/zinc/16/68/97/265166897.db2.gz JUAWPKJOGLBOIS-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP Cn1c2ccccc2[nH+]c1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000178804173 265342238 /nfs/dbraw/zinc/34/22/38/265342238.db2.gz QCBVDATXGBBDHO-UHFFFAOYSA-N 2 2 331.423 3.473 20 0 EGADLP COc1ncccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000193552502 266042600 /nfs/dbraw/zinc/04/26/00/266042600.db2.gz IHRRMTSZQNREIH-IAGOWNOFSA-N 2 2 339.483 3.336 20 0 EGADLP Clc1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000195632261 266188112 /nfs/dbraw/zinc/18/81/12/266188112.db2.gz BSKAYWGOJNZTEI-UHFFFAOYSA-N 2 2 335.923 3.334 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC000235140294 266207874 /nfs/dbraw/zinc/20/78/74/266207874.db2.gz YACGCVIBKMIUFF-AWEZNQCLSA-N 2 2 325.294 3.456 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000236950714 266220701 /nfs/dbraw/zinc/22/07/01/266220701.db2.gz UTBYEWSUMVFIAD-LJQANCHMSA-N 2 2 326.444 3.288 20 0 EGADLP O[C@@H](c1ccccc1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000267062351 266279802 /nfs/dbraw/zinc/27/98/02/266279802.db2.gz MPKUNXZYJNMCIV-NRFANRHFSA-N 2 2 348.450 3.213 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000268881369 266285377 /nfs/dbraw/zinc/28/53/77/266285377.db2.gz FKVYVRTYYRSMJR-STQMWFEESA-N 2 2 335.883 3.220 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000273811138 267114654 /nfs/dbraw/zinc/11/46/54/267114654.db2.gz AWOHCXLDKBZHSJ-LLVKDONJSA-N 2 2 332.261 3.366 20 0 EGADLP Cc1cc(N[C@H](C)CCN2CC[NH+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000274474953 267243822 /nfs/dbraw/zinc/24/38/22/267243822.db2.gz NCHTZDIUUDTQMS-CQSZACIVSA-N 2 2 330.451 3.120 20 0 EGADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000275108112 267319116 /nfs/dbraw/zinc/31/91/16/267319116.db2.gz FJYHYLDVHMRMBJ-BLLLJJGKSA-N 2 2 345.830 3.255 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000275541780 267379450 /nfs/dbraw/zinc/37/94/50/267379450.db2.gz MRVABSDQNSFFJL-DOMZBBRYSA-N 2 2 334.489 3.184 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(SC)cc1OC ZINC000277662519 267839153 /nfs/dbraw/zinc/83/91/53/267839153.db2.gz ZWPNFNBCFPWKBZ-HNNXBMFYSA-N 2 2 338.517 3.342 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(SC)cc1OC ZINC000277662519 267839157 /nfs/dbraw/zinc/83/91/57/267839157.db2.gz ZWPNFNBCFPWKBZ-HNNXBMFYSA-N 2 2 338.517 3.342 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000278498241 268026366 /nfs/dbraw/zinc/02/63/66/268026366.db2.gz NFMIUUNMQWWCBE-OAHLLOKOSA-N 2 2 344.459 3.438 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)CCOC(C)C)CC1 ZINC000361342956 274850867 /nfs/dbraw/zinc/85/08/67/274850867.db2.gz ZETZUWDHSVCHRQ-GOSISDBHSA-N 2 2 345.487 3.158 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000109792439 275179271 /nfs/dbraw/zinc/17/92/71/275179271.db2.gz AHODZLVKFJJIAP-INIZCTEOSA-N 2 2 348.491 3.167 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1O ZINC000245552562 275232566 /nfs/dbraw/zinc/23/25/66/275232566.db2.gz DBAOVMWBWKTHDH-AEFFLSMTSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1O ZINC000245552562 275232568 /nfs/dbraw/zinc/23/25/68/275232568.db2.gz DBAOVMWBWKTHDH-AEFFLSMTSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1O ZINC000245552562 275232569 /nfs/dbraw/zinc/23/25/69/275232569.db2.gz DBAOVMWBWKTHDH-AEFFLSMTSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1O ZINC000245552562 275232571 /nfs/dbraw/zinc/23/25/71/275232571.db2.gz DBAOVMWBWKTHDH-AEFFLSMTSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000271888051 275238857 /nfs/dbraw/zinc/23/88/57/275238857.db2.gz DJLXHDICJHCTMT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000271888051 275238859 /nfs/dbraw/zinc/23/88/59/275238859.db2.gz DJLXHDICJHCTMT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000271888051 275238861 /nfs/dbraw/zinc/23/88/61/275238861.db2.gz DJLXHDICJHCTMT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000271888051 275238863 /nfs/dbraw/zinc/23/88/63/275238863.db2.gz DJLXHDICJHCTMT-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP Cc1nc(C)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000271935560 275243001 /nfs/dbraw/zinc/24/30/01/275243001.db2.gz ABGGVAVUAZTEBF-CZUORRHYSA-N 2 2 345.516 3.468 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000278707041 275267318 /nfs/dbraw/zinc/26/73/18/275267318.db2.gz UETYGBZEZSGOTF-UHFFFAOYSA-N 2 2 330.432 3.114 20 0 EGADLP Cn1c2ccccc2[nH+]c1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278850097 275280768 /nfs/dbraw/zinc/28/07/68/275280768.db2.gz LUNFCFLUZOSUOP-UHFFFAOYSA-N 2 2 335.455 3.490 20 0 EGADLP Cc1ccc(C(=O)N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)cc1 ZINC000278925727 275288269 /nfs/dbraw/zinc/28/82/69/275288269.db2.gz KVWZSOBQROKFEO-UHFFFAOYSA-N 2 2 337.467 3.089 20 0 EGADLP Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C(F)F)n1 ZINC000278971582 275292404 /nfs/dbraw/zinc/29/24/04/275292404.db2.gz XXOJEYUXXWDGQW-UHFFFAOYSA-N 2 2 349.429 3.270 20 0 EGADLP CC(C)[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000278977261 275292802 /nfs/dbraw/zinc/29/28/02/275292802.db2.gz OGKMKIBBNUEGHV-BJLQDIEVSA-N 2 2 327.472 3.497 20 0 EGADLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000278977632 275292825 /nfs/dbraw/zinc/29/28/25/275292825.db2.gz YORHNHLKVFJKBE-UHFFFAOYSA-N 2 2 326.444 3.003 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CCO1 ZINC000279109840 275304521 /nfs/dbraw/zinc/30/45/21/275304521.db2.gz KEBSUBRWFKRFNN-TZMCWYRMSA-N 2 2 334.489 3.184 20 0 EGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000279638566 275345934 /nfs/dbraw/zinc/34/59/34/275345934.db2.gz ALZCPQIELSQTGA-UTKZUKDTSA-N 2 2 339.483 3.412 20 0 EGADLP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000340356579 275368219 /nfs/dbraw/zinc/36/82/19/275368219.db2.gz PZCXNBRYRUHIGG-KOLCDFICSA-N 2 2 338.274 3.299 20 0 EGADLP Brc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000348184791 275374226 /nfs/dbraw/zinc/37/42/26/275374226.db2.gz IMHNXVVBCUCWSY-ABAIWWIYSA-N 2 2 332.245 3.238 20 0 EGADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[NH+]1CCOCC1 ZINC000337331073 275401106 /nfs/dbraw/zinc/40/11/06/275401106.db2.gz HBJMSMITGAITOA-FYWRMAATSA-N 2 2 342.405 3.421 20 0 EGADLP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000281897715 275586487 /nfs/dbraw/zinc/58/64/87/275586487.db2.gz HPJNRWNTVJPWLM-SFHVURJKSA-N 2 2 346.478 3.284 20 0 EGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cn2c1 ZINC000283798159 275752051 /nfs/dbraw/zinc/75/20/51/275752051.db2.gz BCEFGLRTSLGHAD-UHFFFAOYSA-N 2 2 326.488 3.387 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158955305 275940630 /nfs/dbraw/zinc/94/06/30/275940630.db2.gz OICXFCFZTCNCGJ-HKUYNNGSSA-N 2 2 344.499 3.115 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000287536132 276129952 /nfs/dbraw/zinc/12/99/52/276129952.db2.gz NXNRWJYIYWLUFK-SFHVURJKSA-N 2 2 338.455 3.089 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000287536132 276129954 /nfs/dbraw/zinc/12/99/54/276129954.db2.gz NXNRWJYIYWLUFK-SFHVURJKSA-N 2 2 338.455 3.089 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540425 276130609 /nfs/dbraw/zinc/13/06/09/276130609.db2.gz PHNFFZVSDOCKEM-FUHIMQAGSA-N 2 2 339.483 3.479 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540425 276130610 /nfs/dbraw/zinc/13/06/10/276130610.db2.gz PHNFFZVSDOCKEM-FUHIMQAGSA-N 2 2 339.483 3.479 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287577428 276135453 /nfs/dbraw/zinc/13/54/53/276135453.db2.gz HCPRRBBFTDRIAN-BSWAZPDLSA-N 2 2 342.405 3.206 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287577428 276135454 /nfs/dbraw/zinc/13/54/54/276135454.db2.gz HCPRRBBFTDRIAN-BSWAZPDLSA-N 2 2 342.405 3.206 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1F ZINC000287603148 276138469 /nfs/dbraw/zinc/13/84/69/276138469.db2.gz IRNPRBUXHYGOCQ-INIZCTEOSA-N 2 2 326.843 3.383 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287857812 276164210 /nfs/dbraw/zinc/16/42/10/276164210.db2.gz XELDRCAJUVHKRM-BMFZPTHFSA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287857812 276164212 /nfs/dbraw/zinc/16/42/12/276164212.db2.gz XELDRCAJUVHKRM-BMFZPTHFSA-N 2 2 330.394 3.206 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2ccnc3c(Cl)cccc23)CC1 ZINC000288378009 276207817 /nfs/dbraw/zinc/20/78/17/276207817.db2.gz LQUWXJFNUKLYON-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP COc1cccc([C@H](C[NH2+]CCCc2c[nH+]ccc2C)N(C)C)c1 ZINC000289327866 276322461 /nfs/dbraw/zinc/32/24/61/276322461.db2.gz UMKZPGUDFTYZEI-FQEVSTJZSA-N 2 2 327.472 3.224 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289403444 276333908 /nfs/dbraw/zinc/33/39/08/276333908.db2.gz SGLFDBWSMGFURK-HNNXBMFYSA-N 2 2 345.512 3.293 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289403444 276333910 /nfs/dbraw/zinc/33/39/10/276333910.db2.gz SGLFDBWSMGFURK-HNNXBMFYSA-N 2 2 345.512 3.293 20 0 EGADLP Cc1nc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000289421192 276336486 /nfs/dbraw/zinc/33/64/86/276336486.db2.gz WHILQNKPOGNILV-AWEZNQCLSA-N 2 2 329.448 3.073 20 0 EGADLP Cc1nc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000289421192 276336488 /nfs/dbraw/zinc/33/64/88/276336488.db2.gz WHILQNKPOGNILV-AWEZNQCLSA-N 2 2 329.448 3.073 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000289582181 276361364 /nfs/dbraw/zinc/36/13/64/276361364.db2.gz IAGFRNJDHGRYME-HDICACEKSA-N 2 2 345.487 3.121 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000289582181 276361365 /nfs/dbraw/zinc/36/13/65/276361365.db2.gz IAGFRNJDHGRYME-HDICACEKSA-N 2 2 345.487 3.121 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000289840921 276404033 /nfs/dbraw/zinc/40/40/33/276404033.db2.gz KFHQHEBOSWNVAB-RHSMWYFYSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)cc2)c1C ZINC000291123166 276592951 /nfs/dbraw/zinc/59/29/51/276592951.db2.gz DDJJMLJYEFEALR-INIZCTEOSA-N 2 2 349.438 3.195 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000343544901 278044371 /nfs/dbraw/zinc/04/43/71/278044371.db2.gz YDYLIUMCHOZRMK-XLIONFOSSA-N 2 2 343.515 3.109 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000343544901 278044373 /nfs/dbraw/zinc/04/43/73/278044373.db2.gz YDYLIUMCHOZRMK-XLIONFOSSA-N 2 2 343.515 3.109 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000370040994 282077785 /nfs/dbraw/zinc/07/77/85/282077785.db2.gz NYKAFQRBGXEBRL-INIZCTEOSA-N 2 2 339.439 3.077 20 0 EGADLP Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc[nH+]1 ZINC000078559560 307419866 /nfs/dbraw/zinc/41/98/66/307419866.db2.gz DSEJNYSPAMRVOR-HZPDHXFCSA-N 2 2 339.439 3.252 20 0 EGADLP CC(C)(C)c1cnc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)o1 ZINC000119510639 307496476 /nfs/dbraw/zinc/49/64/76/307496476.db2.gz PLFVMJNCEHPISH-UHFFFAOYSA-N 2 2 349.398 3.108 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414112712 309061698 /nfs/dbraw/zinc/06/16/98/309061698.db2.gz KAKXQYXGSKTZNB-QXAKKESOSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414112712 309061699 /nfs/dbraw/zinc/06/16/99/309061699.db2.gz KAKXQYXGSKTZNB-QXAKKESOSA-N 2 2 335.923 3.202 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1nccs1 ZINC000414275331 309070126 /nfs/dbraw/zinc/07/01/26/309070126.db2.gz WGZMSEAOSIVHOV-KBAYOESNSA-N 2 2 345.512 3.331 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1nccs1 ZINC000414275331 309070127 /nfs/dbraw/zinc/07/01/27/309070127.db2.gz WGZMSEAOSIVHOV-KBAYOESNSA-N 2 2 345.512 3.331 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)n1C ZINC000414296906 309071301 /nfs/dbraw/zinc/07/13/01/309071301.db2.gz FTFYBSRZTFNUCL-UHFFFAOYSA-N 2 2 335.864 3.039 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C1 ZINC000414317041 309072422 /nfs/dbraw/zinc/07/24/22/309072422.db2.gz VHFQWBBYKUHLRO-BSIFCXSSSA-N 2 2 342.458 3.327 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C1 ZINC000414317041 309072423 /nfs/dbraw/zinc/07/24/23/309072423.db2.gz VHFQWBBYKUHLRO-BSIFCXSSSA-N 2 2 342.458 3.327 20 0 EGADLP CCc1ncc(C[N@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000414393155 309077371 /nfs/dbraw/zinc/07/73/71/309077371.db2.gz DDNBPKSCNRTHJO-LJQANCHMSA-N 2 2 338.499 3.383 20 0 EGADLP CCc1ncc(C[N@@H+](CC)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000414393155 309077372 /nfs/dbraw/zinc/07/73/72/309077372.db2.gz DDNBPKSCNRTHJO-LJQANCHMSA-N 2 2 338.499 3.383 20 0 EGADLP CCc1ncc(C[NH+](CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414393155 309077373 /nfs/dbraw/zinc/07/73/73/309077373.db2.gz DDNBPKSCNRTHJO-LJQANCHMSA-N 2 2 338.499 3.383 20 0 EGADLP CCc1ncc(C[NH+](CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414393155 309077374 /nfs/dbraw/zinc/07/73/74/309077374.db2.gz DDNBPKSCNRTHJO-LJQANCHMSA-N 2 2 338.499 3.383 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575696 308006102 /nfs/dbraw/zinc/00/61/02/308006102.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248575696 308006103 /nfs/dbraw/zinc/00/61/03/308006103.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000248575696 308006104 /nfs/dbraw/zinc/00/61/04/308006104.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000248575696 308006106 /nfs/dbraw/zinc/00/61/06/308006106.db2.gz SYQWOZWHGTYIPU-SGLNWRHMSA-N 3 2 329.532 3.215 20 0 EGADLP CCc1ncc(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000414393150 309077540 /nfs/dbraw/zinc/07/75/40/309077540.db2.gz DDNBPKSCNRTHJO-IBGZPJMESA-N 2 2 338.499 3.383 20 0 EGADLP CCc1ncc(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000414393150 309077541 /nfs/dbraw/zinc/07/75/41/309077541.db2.gz DDNBPKSCNRTHJO-IBGZPJMESA-N 2 2 338.499 3.383 20 0 EGADLP CCc1ncc(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414393150 309077542 /nfs/dbraw/zinc/07/75/42/309077542.db2.gz DDNBPKSCNRTHJO-IBGZPJMESA-N 2 2 338.499 3.383 20 0 EGADLP CCc1ncc(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414393150 309077543 /nfs/dbraw/zinc/07/75/43/309077543.db2.gz DDNBPKSCNRTHJO-IBGZPJMESA-N 2 2 338.499 3.383 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292997976 308088491 /nfs/dbraw/zinc/08/84/91/308088491.db2.gz OPCXNDYAGYLGFK-KXBFYZLASA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292997976 308088493 /nfs/dbraw/zinc/08/84/93/308088493.db2.gz OPCXNDYAGYLGFK-KXBFYZLASA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292997976 308088494 /nfs/dbraw/zinc/08/84/94/308088494.db2.gz OPCXNDYAGYLGFK-KXBFYZLASA-N 2 2 326.444 3.215 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596524 308145041 /nfs/dbraw/zinc/14/50/41/308145041.db2.gz IYWMUWSPXRFRSH-LJQANCHMSA-N 2 2 328.435 3.134 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596524 308145043 /nfs/dbraw/zinc/14/50/43/308145043.db2.gz IYWMUWSPXRFRSH-LJQANCHMSA-N 2 2 328.435 3.134 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596524 308145045 /nfs/dbraw/zinc/14/50/45/308145045.db2.gz IYWMUWSPXRFRSH-LJQANCHMSA-N 2 2 328.435 3.134 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C2)C1 ZINC000293596524 308145047 /nfs/dbraw/zinc/14/50/47/308145047.db2.gz IYWMUWSPXRFRSH-LJQANCHMSA-N 2 2 328.435 3.134 20 0 EGADLP CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293646050 308149271 /nfs/dbraw/zinc/14/92/71/308149271.db2.gz HNMWGDNSFUPNNV-HZPDHXFCSA-N 2 2 328.460 3.075 20 0 EGADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000293676155 308151903 /nfs/dbraw/zinc/15/19/03/308151903.db2.gz VCSZFMFQYFMVBK-CYBMUJFWSA-N 2 2 337.920 3.199 20 0 EGADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000293676155 308151905 /nfs/dbraw/zinc/15/19/05/308151905.db2.gz VCSZFMFQYFMVBK-CYBMUJFWSA-N 2 2 337.920 3.199 20 0 EGADLP C[C@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCCCC1 ZINC000293822905 308165207 /nfs/dbraw/zinc/16/52/07/308165207.db2.gz DHFFUUXELKULET-SJLPKXTDSA-N 2 2 340.471 3.222 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CSC[C@H]1C ZINC000294889458 308268000 /nfs/dbraw/zinc/26/80/00/308268000.db2.gz RGGRLGLGYKONGI-RHSMWYFYSA-N 2 2 335.517 3.001 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H](C)CC(C)(C)O)c[nH+]c12 ZINC000294920740 308271636 /nfs/dbraw/zinc/27/16/36/308271636.db2.gz AUUQIINKPUGFEQ-NSHDSACASA-N 2 2 340.265 3.044 20 0 EGADLP Cc1cccnc1C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295934282 308376229 /nfs/dbraw/zinc/37/62/29/308376229.db2.gz KNKDRIMDHSRPEC-QGZVFWFLSA-N 2 2 338.455 3.039 20 0 EGADLP Cc1cccnc1C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295934282 308376230 /nfs/dbraw/zinc/37/62/30/308376230.db2.gz KNKDRIMDHSRPEC-QGZVFWFLSA-N 2 2 338.455 3.039 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H](C[NH3+])C1 ZINC000414771861 309100001 /nfs/dbraw/zinc/10/00/01/309100001.db2.gz SCNYFGUSFJAXIV-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H](C[NH3+])C1 ZINC000414771861 309100002 /nfs/dbraw/zinc/10/00/02/309100002.db2.gz SCNYFGUSFJAXIV-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2csc(Cl)c2Cl)CC12CCOCC2 ZINC000414781089 309100619 /nfs/dbraw/zinc/10/06/19/309100619.db2.gz MLSLBROCJMZYQZ-NSHDSACASA-N 2 2 335.300 3.242 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2csc(Cl)c2Cl)CC12CCOCC2 ZINC000414781089 309100620 /nfs/dbraw/zinc/10/06/20/309100620.db2.gz MLSLBROCJMZYQZ-NSHDSACASA-N 2 2 335.300 3.242 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]CCc3cccc(Cl)c3)CC2)CC1 ZINC000298290755 308600904 /nfs/dbraw/zinc/60/09/04/308600904.db2.gz HEUJNAXMGMQREB-UHFFFAOYSA-N 3 2 335.923 3.031 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000414801091 309102308 /nfs/dbraw/zinc/10/23/08/309102308.db2.gz TUOGVIURFORQDL-KRWDZBQOSA-N 2 2 333.863 3.387 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(O)c1Br)C1CCCCC1 ZINC000414831583 309104434 /nfs/dbraw/zinc/10/44/34/309104434.db2.gz CPYWAXSVCSTMIK-CYBMUJFWSA-N 2 2 327.266 3.152 20 0 EGADLP O=C(CCn1cc[nH+]c1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299630829 308682274 /nfs/dbraw/zinc/68/22/74/308682274.db2.gz GPKIRJPAFMTMTO-UHFFFAOYSA-N 2 2 326.444 3.288 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1 ZINC000301627809 308708083 /nfs/dbraw/zinc/70/80/83/308708083.db2.gz HMJUVHKKBFNUPP-UHFFFAOYSA-N 2 2 331.847 3.244 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC1([NH3+])CCC1 ZINC000414874056 309106764 /nfs/dbraw/zinc/10/67/64/309106764.db2.gz HYBGUVPVBSOWRD-UHFFFAOYSA-N 2 2 332.879 3.173 20 0 EGADLP Cc1ccc(-n2cc(C[NH2+]CC3([NH3+])CCC3)c(C(C)(C)C)n2)cc1 ZINC000414878652 309106778 /nfs/dbraw/zinc/10/67/78/309106778.db2.gz OOEGOKDHGMGGJW-UHFFFAOYSA-N 2 2 326.488 3.449 20 0 EGADLP COc1ccsc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000414893661 309107700 /nfs/dbraw/zinc/10/77/00/309107700.db2.gz YLIIISQTLQJGPM-JKSUJKDBSA-N 2 2 332.469 3.001 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(-c2ccnn2C)c1 ZINC000414922212 309109444 /nfs/dbraw/zinc/10/94/44/309109444.db2.gz CJDIVGPGOPOKIK-LJQANCHMSA-N 2 2 326.488 3.263 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)n1 ZINC000414934605 309110020 /nfs/dbraw/zinc/11/00/20/309110020.db2.gz FIASVAHCSLPNSP-FOIQADDNSA-N 2 2 335.451 3.464 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414943566 309110612 /nfs/dbraw/zinc/11/06/12/309110612.db2.gz FOEYFCUJHAIIML-LPHOPBHVSA-N 2 2 332.394 3.209 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CCC[NH2+]1 ZINC000414946548 309110802 /nfs/dbraw/zinc/11/08/02/309110802.db2.gz SQIMEJBGVLUTNY-NRFANRHFSA-N 2 2 340.467 3.220 20 0 EGADLP Cc1nc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000414958433 309111482 /nfs/dbraw/zinc/11/14/82/309111482.db2.gz WSIMIOVFJVKRRB-CZUORRHYSA-N 2 2 337.439 3.273 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cs2)cc1 ZINC000414962278 309111649 /nfs/dbraw/zinc/11/16/49/309111649.db2.gz CBAZMCNDYCFWDA-INIZCTEOSA-N 2 2 331.485 3.296 20 0 EGADLP Cn1cc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c(-c2ccccc2)n1 ZINC000414963764 309111778 /nfs/dbraw/zinc/11/17/78/309111778.db2.gz XNMGCRQCJBDQRG-FQEVSTJZSA-N 2 2 332.451 3.064 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)Sc1ccc(Br)cc1 ZINC000415075814 309118593 /nfs/dbraw/zinc/11/85/93/309118593.db2.gz AKGOBYIYHFOOCF-WCQYABFASA-N 2 2 329.307 3.271 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1F ZINC000415117164 309121423 /nfs/dbraw/zinc/12/14/23/309121423.db2.gz BUXABESQGRWKDR-AZUAARDMSA-N 2 2 340.442 3.120 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1F ZINC000415117164 309121424 /nfs/dbraw/zinc/12/14/24/309121424.db2.gz BUXABESQGRWKDR-AZUAARDMSA-N 2 2 340.442 3.120 20 0 EGADLP C[NH2+]Cc1cccc(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000415922868 309148834 /nfs/dbraw/zinc/14/88/34/309148834.db2.gz VBTFYFUMNSKCNG-UHFFFAOYSA-N 2 2 342.443 3.090 20 0 EGADLP Cc1cnc([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000419690177 309271105 /nfs/dbraw/zinc/27/11/05/309271105.db2.gz UXTMTJLRQAMBDP-AWEZNQCLSA-N 2 2 330.501 3.204 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(c3ccc(F)cc3)CC2)n1C ZINC000419691654 309271152 /nfs/dbraw/zinc/27/11/52/309271152.db2.gz MSTVYQTWQMIOLP-UHFFFAOYSA-N 2 2 330.451 3.441 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cc(C)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000420303104 309280594 /nfs/dbraw/zinc/28/05/94/309280594.db2.gz WWHHZUIPZDTDQH-UHFFFAOYSA-N 2 2 330.863 3.289 20 0 EGADLP C[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420325947 309282330 /nfs/dbraw/zinc/28/23/30/309282330.db2.gz WWRWFPULRKUELV-MVVMVCHASA-N 2 2 330.863 3.241 20 0 EGADLP C[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420325947 309282331 /nfs/dbraw/zinc/28/23/31/309282331.db2.gz WWRWFPULRKUELV-MVVMVCHASA-N 2 2 330.863 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420347340 309283722 /nfs/dbraw/zinc/28/37/22/309283722.db2.gz YCDCIUMEDCVUAZ-GIVPXCGWSA-N 2 2 349.478 3.359 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420347340 309283723 /nfs/dbraw/zinc/28/37/23/309283723.db2.gz YCDCIUMEDCVUAZ-GIVPXCGWSA-N 2 2 349.478 3.359 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378040 309285262 /nfs/dbraw/zinc/28/52/62/309285262.db2.gz BAJPRZJSWICVII-APWZRJJASA-N 2 2 329.488 3.213 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378040 309285263 /nfs/dbraw/zinc/28/52/63/309285263.db2.gz BAJPRZJSWICVII-APWZRJJASA-N 2 2 329.488 3.213 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378983 309285388 /nfs/dbraw/zinc/28/53/88/309285388.db2.gz UVJGIWVGUQQSNS-GUYCJALGSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378983 309285389 /nfs/dbraw/zinc/28/53/89/309285389.db2.gz UVJGIWVGUQQSNS-GUYCJALGSA-N 2 2 326.843 3.242 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392080 309285925 /nfs/dbraw/zinc/28/59/25/309285925.db2.gz IXYSDMHBSVSNEG-WMLDXEAASA-N 2 2 335.879 3.051 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420392080 309285926 /nfs/dbraw/zinc/28/59/26/309285926.db2.gz IXYSDMHBSVSNEG-WMLDXEAASA-N 2 2 335.879 3.051 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)CC(C)C ZINC000420795744 309295140 /nfs/dbraw/zinc/29/51/40/309295140.db2.gz FCYVQZVERBDISC-SFHVURJKSA-N 2 2 334.508 3.254 20 0 EGADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)on1 ZINC000420901423 309299914 /nfs/dbraw/zinc/29/99/14/309299914.db2.gz KBLQBFVGLSTBIP-IBGZPJMESA-N 2 2 341.455 3.152 20 0 EGADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)on1 ZINC000420901423 309299915 /nfs/dbraw/zinc/29/99/15/309299915.db2.gz KBLQBFVGLSTBIP-IBGZPJMESA-N 2 2 341.455 3.152 20 0 EGADLP COc1cccc(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420906867 309300376 /nfs/dbraw/zinc/30/03/76/309300376.db2.gz ULUDBAYHSFPBFC-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP COc1cccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000420906867 309300377 /nfs/dbraw/zinc/30/03/77/309300377.db2.gz ULUDBAYHSFPBFC-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP CCCO[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420911870 309300543 /nfs/dbraw/zinc/30/05/43/309300543.db2.gz GPXDYNDZBKOLCW-NRFANRHFSA-N 2 2 346.515 3.300 20 0 EGADLP CCCO[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420911870 309300544 /nfs/dbraw/zinc/30/05/44/309300544.db2.gz GPXDYNDZBKOLCW-NRFANRHFSA-N 2 2 346.515 3.300 20 0 EGADLP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946254 309303304 /nfs/dbraw/zinc/30/33/04/309303304.db2.gz AQPRIGNHSIYHEW-WIYYLYMNSA-N 2 2 346.515 3.034 20 0 EGADLP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946254 309303305 /nfs/dbraw/zinc/30/33/05/309303305.db2.gz AQPRIGNHSIYHEW-WIYYLYMNSA-N 2 2 346.515 3.034 20 0 EGADLP C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420948199 309303480 /nfs/dbraw/zinc/30/34/80/309303480.db2.gz PEHSDTVMKDHHLI-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420948199 309303481 /nfs/dbraw/zinc/30/34/81/309303481.db2.gz PEHSDTVMKDHHLI-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421843703 309342896 /nfs/dbraw/zinc/34/28/96/309342896.db2.gz RHHDIVMRHAQIOY-NQSCKRDGSA-N 2 2 335.495 3.439 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421843703 309342897 /nfs/dbraw/zinc/34/28/97/309342897.db2.gz RHHDIVMRHAQIOY-NQSCKRDGSA-N 2 2 335.495 3.439 20 0 EGADLP CC[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)[N@H+](C)Cc1ccccc1 ZINC000421903736 309345809 /nfs/dbraw/zinc/34/58/09/309345809.db2.gz CCTJQYJOQXXORL-LJQANCHMSA-N 2 2 325.456 3.225 20 0 EGADLP CC[C@H](C(=O)NCc1cc(C)[nH+]c(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000421903736 309345810 /nfs/dbraw/zinc/34/58/10/309345810.db2.gz CCTJQYJOQXXORL-LJQANCHMSA-N 2 2 325.456 3.225 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422028215 309351933 /nfs/dbraw/zinc/35/19/33/309351933.db2.gz XNXYAOPIZYHTNJ-ROUUACIJSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422028215 309351934 /nfs/dbraw/zinc/35/19/34/309351934.db2.gz XNXYAOPIZYHTNJ-ROUUACIJSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000422641358 309363103 /nfs/dbraw/zinc/36/31/03/309363103.db2.gz XUZXRKXUELXJBR-OAGGEKHMSA-N 2 2 331.504 3.228 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000422641358 309363104 /nfs/dbraw/zinc/36/31/04/309363104.db2.gz XUZXRKXUELXJBR-OAGGEKHMSA-N 2 2 331.504 3.228 20 0 EGADLP CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000422695898 309363703 /nfs/dbraw/zinc/36/37/03/309363703.db2.gz QLFZCJCBDRVLLP-JSGCOSHPSA-N 2 2 328.403 3.307 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[NH2+]CC[C@H]3C)ccn2)cc1 ZINC000422719182 309364943 /nfs/dbraw/zinc/36/49/43/309364943.db2.gz XUKUFZIPYBFYET-BEFAXECRSA-N 2 2 341.455 3.360 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422723076 309365153 /nfs/dbraw/zinc/36/51/53/309365153.db2.gz ZNRSIBXXZHKMNX-WMLDXEAASA-N 2 2 327.428 3.152 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCSCc1cccc2ccccc21 ZINC000422760317 309366921 /nfs/dbraw/zinc/36/69/21/309366921.db2.gz LUNGUXDCMLORDP-APWZRJJASA-N 2 2 344.524 3.430 20 0 EGADLP COc1ccc(-c2csc(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)c2)cc1 ZINC000422817277 309370091 /nfs/dbraw/zinc/37/00/91/309370091.db2.gz CRWPIJVRCOTNBZ-WMLDXEAASA-N 2 2 346.496 3.280 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422892783 309374679 /nfs/dbraw/zinc/37/46/79/309374679.db2.gz NUMQOGWEIWWIBF-NSHDSACASA-N 2 2 328.441 3.416 20 0 EGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422916438 309376080 /nfs/dbraw/zinc/37/60/80/309376080.db2.gz AOOIGZLHVGGIQM-NILFDRSVSA-N 2 2 328.378 3.437 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)cc2)cc1 ZINC000422926150 309376480 /nfs/dbraw/zinc/37/64/80/309376480.db2.gz WJPZCDYJOZXMRZ-OXJNMPFZSA-N 2 2 340.467 3.219 20 0 EGADLP C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000422972978 309379014 /nfs/dbraw/zinc/37/90/14/309379014.db2.gz NHUBMTJDPPUSFD-QFBILLFUSA-N 2 2 325.456 3.281 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011106 309380804 /nfs/dbraw/zinc/38/08/04/309380804.db2.gz YZYAQYBMZFCVEP-OXJNMPFZSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]1 ZINC000423011106 309380805 /nfs/dbraw/zinc/38/08/05/309380805.db2.gz YZYAQYBMZFCVEP-OXJNMPFZSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423030847 309381930 /nfs/dbraw/zinc/38/19/30/309381930.db2.gz WNLWHEUYGXEBED-UGFHNGPFSA-N 2 2 334.357 3.176 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423056198 309383450 /nfs/dbraw/zinc/38/34/50/309383450.db2.gz FNLIDAOKZIPNRT-CJNGLKHVSA-N 2 2 342.405 3.094 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423064167 309383949 /nfs/dbraw/zinc/38/39/49/309383949.db2.gz QRJMVJLJNCXWOI-HUUCEWRRSA-N 2 2 326.831 3.461 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423071058 309384468 /nfs/dbraw/zinc/38/44/68/309384468.db2.gz NXVNJHXUECSZEI-BBRMVZONSA-N 2 2 344.421 3.340 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423071060 309384494 /nfs/dbraw/zinc/38/44/94/309384494.db2.gz NXVNJHXUECSZEI-CZUORRHYSA-N 2 2 344.421 3.340 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423080450 309384756 /nfs/dbraw/zinc/38/47/56/309384756.db2.gz AGXHBHXZQPXERZ-BEFAXECRSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080438 309384834 /nfs/dbraw/zinc/38/48/34/309384834.db2.gz SMUVYJNFMXRHQQ-LSDHHAIUSA-N 2 2 338.442 3.133 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423101237 309385908 /nfs/dbraw/zinc/38/59/08/309385908.db2.gz VQLOMYXTRNBLJT-ZFZWDLNGSA-N 2 2 342.405 3.308 20 0 EGADLP FC(F)Oc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccn1 ZINC000423111703 309386517 /nfs/dbraw/zinc/38/65/17/309386517.db2.gz WKFZSWZEZFWCEM-CVEARBPZSA-N 2 2 333.382 3.266 20 0 EGADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H]1CC[NH2+]C1 ZINC000423128618 309387387 /nfs/dbraw/zinc/38/73/87/309387387.db2.gz VWIZRCWHPYQCFT-NHYWBVRUSA-N 2 2 334.261 3.259 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F ZINC000423139704 309388043 /nfs/dbraw/zinc/38/80/43/309388043.db2.gz WLEBEYCPBMQIMD-FVQBIDKESA-N 2 2 330.394 3.079 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177607 309389268 /nfs/dbraw/zinc/38/92/68/309389268.db2.gz AYLSVSJYDNCWBY-IINYFYTJSA-N 2 2 329.669 3.431 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423190733 309389734 /nfs/dbraw/zinc/38/97/34/309389734.db2.gz NZVYLGNOGXBRSP-XIRDDKMYSA-N 2 2 336.451 3.176 20 0 EGADLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCCCC1)c1cccc(F)c1 ZINC000423200985 309390232 /nfs/dbraw/zinc/39/02/32/309390232.db2.gz NVWVNITWTHEKJL-QGZVFWFLSA-N 2 2 330.451 3.290 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232571 309391718 /nfs/dbraw/zinc/39/17/18/309391718.db2.gz INUXZTMXUMSNPS-BURNTYAHSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232571 309391719 /nfs/dbraw/zinc/39/17/19/309391719.db2.gz INUXZTMXUMSNPS-BURNTYAHSA-N 3 2 327.516 3.019 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423240433 309392067 /nfs/dbraw/zinc/39/20/67/309392067.db2.gz TZHONWJTLSFVOY-USXIJHARSA-N 2 2 336.451 3.176 20 0 EGADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1I ZINC000423257698 309392599 /nfs/dbraw/zinc/39/25/99/309392599.db2.gz ACSUJIMJXRSQDW-NEPJUHHUSA-N 2 2 346.256 3.315 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000423258566 309392661 /nfs/dbraw/zinc/39/26/61/309392661.db2.gz BXAYMXZIZOAVSS-SCLBCKFNSA-N 2 2 345.466 3.273 20 0 EGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ncc(Br)s1 ZINC000423259919 309392722 /nfs/dbraw/zinc/39/27/22/309392722.db2.gz GBMWWCXJGLTNDB-KOLCDFICSA-N 2 2 332.311 3.464 20 0 EGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423285214 309393953 /nfs/dbraw/zinc/39/39/53/309393953.db2.gz YAUYWATUKRETJP-PELKAZGASA-N 2 2 336.329 3.277 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000423295509 309394295 /nfs/dbraw/zinc/39/42/95/309394295.db2.gz DYBWSCRROFJGDX-CZUORRHYSA-N 2 2 326.444 3.089 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423303525 309394681 /nfs/dbraw/zinc/39/46/81/309394681.db2.gz LYAGSXOMFZMMHI-UWHLTILDSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+][C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423303525 309394682 /nfs/dbraw/zinc/39/46/82/309394682.db2.gz LYAGSXOMFZMMHI-UWHLTILDSA-N 3 2 327.516 3.019 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cncc(F)c1 ZINC000423366471 309397345 /nfs/dbraw/zinc/39/73/45/309397345.db2.gz LPSIXEIEMLXCGC-GYOIFBIXSA-N 2 2 335.373 3.295 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)cn1 ZINC000423393293 309398463 /nfs/dbraw/zinc/39/84/63/309398463.db2.gz MCVQFSWPKLKTLG-YWZLYKJASA-N 2 2 335.451 3.464 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CCC[NH2+]1 ZINC000423412617 309399106 /nfs/dbraw/zinc/39/91/06/309399106.db2.gz IDNXPDGKAURTHE-HZPDHXFCSA-N 2 2 329.271 3.339 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)CCC[NH2+]1 ZINC000423414475 309399219 /nfs/dbraw/zinc/39/92/19/309399219.db2.gz NANDVVNBQJGALJ-ICSRJNTNSA-N 2 2 332.488 3.382 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)CCC[NH2+]1 ZINC000423430687 309400014 /nfs/dbraw/zinc/40/00/14/309400014.db2.gz PXLHXVQHZBZCGZ-UYAOXDASSA-N 2 2 332.488 3.382 20 0 EGADLP CC(C)[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H](C)[NH3+] ZINC000423837096 309415770 /nfs/dbraw/zinc/41/57/70/309415770.db2.gz GPDPLIOWUWXBIL-LIRRHRJNSA-N 2 2 338.455 3.160 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424286026 309436489 /nfs/dbraw/zinc/43/64/89/309436489.db2.gz GSLWITJVHCYWIJ-NVXWUHKLSA-N 2 2 341.455 3.079 20 0 EGADLP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425355944 309475753 /nfs/dbraw/zinc/47/57/53/309475753.db2.gz OWNPKTGWXOSEQJ-MLGOLLRUSA-N 2 2 336.867 3.005 20 0 EGADLP C[NH+](C)[C@H](C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442653000 309883928 /nfs/dbraw/zinc/88/39/28/309883928.db2.gz QSIIERSLIJPDBR-ROUUACIJSA-N 2 2 333.479 3.398 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1Cl ZINC000446817270 309968546 /nfs/dbraw/zinc/96/85/46/309968546.db2.gz HITIDIYYQUHXSJ-BXUZGUMPSA-N 2 2 349.700 3.066 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449111233 310037840 /nfs/dbraw/zinc/03/78/40/310037840.db2.gz KDBFZJMYBKTQAQ-OAHLLOKOSA-N 2 2 342.405 3.182 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2cccc3ccoc32)[N@H+](Cc2ccccc2)C1 ZINC000449213570 310045049 /nfs/dbraw/zinc/04/50/49/310045049.db2.gz WVLLXMAGYXWHCE-UXHICEINSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2cccc3ccoc32)[N@@H+](Cc2ccccc2)C1 ZINC000449213570 310045050 /nfs/dbraw/zinc/04/50/50/310045050.db2.gz WVLLXMAGYXWHCE-UXHICEINSA-N 2 2 336.435 3.158 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000449324103 310053649 /nfs/dbraw/zinc/05/36/49/310053649.db2.gz XYEQDIHVKPEDER-XVLXNVKGSA-N 2 2 335.536 3.019 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000449324103 310053650 /nfs/dbraw/zinc/05/36/50/310053650.db2.gz XYEQDIHVKPEDER-XVLXNVKGSA-N 2 2 335.536 3.019 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398736 310058828 /nfs/dbraw/zinc/05/88/28/310058828.db2.gz WHGFWIAPWBMHTN-VXKWHMMOSA-N 2 2 338.495 3.407 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000449398736 310058829 /nfs/dbraw/zinc/05/88/29/310058829.db2.gz WHGFWIAPWBMHTN-VXKWHMMOSA-N 2 2 338.495 3.407 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ccc(F)c(Cl)c2)s1 ZINC000449402631 310059174 /nfs/dbraw/zinc/05/91/74/310059174.db2.gz SDSJXJFWIVCDFU-UHFFFAOYSA-N 2 2 343.855 3.166 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)n1-c1ccccc1 ZINC000449514938 310068529 /nfs/dbraw/zinc/06/85/29/310068529.db2.gz ZCNJDTNCOVTEIP-UXHICEINSA-N 2 2 325.456 3.067 20 0 EGADLP COc1c(O)cccc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786815 310087159 /nfs/dbraw/zinc/08/71/59/310087159.db2.gz QKHNROPWDGQYPH-UHFFFAOYSA-N 2 2 346.393 3.249 20 0 EGADLP COc1c(O)cccc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449786815 310087160 /nfs/dbraw/zinc/08/71/60/310087160.db2.gz QKHNROPWDGQYPH-UHFFFAOYSA-N 2 2 346.393 3.249 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450363271 310117913 /nfs/dbraw/zinc/11/79/13/310117913.db2.gz KAGVOLXOXYVROO-QZTJIDSGSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450363271 310117914 /nfs/dbraw/zinc/11/79/14/310117914.db2.gz KAGVOLXOXYVROO-QZTJIDSGSA-N 2 2 337.552 3.076 20 0 EGADLP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000450603076 310132551 /nfs/dbraw/zinc/13/25/51/310132551.db2.gz SJDGHWPHYTYBFT-UWWQBHOKSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Cl ZINC000450603076 310132552 /nfs/dbraw/zinc/13/25/52/310132552.db2.gz SJDGHWPHYTYBFT-UWWQBHOKSA-N 2 2 338.879 3.032 20 0 EGADLP CC(C)Cc1ccc([C@H](C[NH2+][C@H](C)Cc2cnccn2)[NH+](C)C)cc1 ZINC000453212110 310264312 /nfs/dbraw/zinc/26/43/12/310264312.db2.gz BVJASQVPTZAPSQ-UTKZUKDTSA-N 2 2 340.515 3.499 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2ccccc12 ZINC000453261575 310267696 /nfs/dbraw/zinc/26/76/96/310267696.db2.gz RXOXAHDCUPMNLR-IRXDYDNUSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2ccccc12 ZINC000453261575 310267697 /nfs/dbraw/zinc/26/76/97/310267697.db2.gz RXOXAHDCUPMNLR-IRXDYDNUSA-N 2 2 342.483 3.346 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273173 310268370 /nfs/dbraw/zinc/26/83/70/310268370.db2.gz VLDVWESXWUEVPX-UWJYYQICSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273173 310268371 /nfs/dbraw/zinc/26/83/71/310268371.db2.gz VLDVWESXWUEVPX-UWJYYQICSA-N 2 2 339.483 3.246 20 0 EGADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453453646 310277862 /nfs/dbraw/zinc/27/78/62/310277862.db2.gz SXVFSNVXSKGLSR-ZBFHGGJFSA-N 2 2 349.438 3.254 20 0 EGADLP Cc1cc(Br)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000453591294 310283264 /nfs/dbraw/zinc/28/32/64/310283264.db2.gz GULMIBXDSHXACS-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(Br)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)s1 ZINC000453591294 310283265 /nfs/dbraw/zinc/28/32/65/310283265.db2.gz GULMIBXDSHXACS-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000453591294 310283266 /nfs/dbraw/zinc/28/32/66/310283266.db2.gz GULMIBXDSHXACS-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC000453591294 310283267 /nfs/dbraw/zinc/28/32/67/310283267.db2.gz GULMIBXDSHXACS-AWEZNQCLSA-N 2 2 329.307 3.347 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000454324998 310303602 /nfs/dbraw/zinc/30/36/02/310303602.db2.gz NCNOCWPFOQQCQH-ULQDDVLXSA-N 2 2 349.523 3.021 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373961 310306064 /nfs/dbraw/zinc/30/60/64/310306064.db2.gz RNMDEMZPAVLBHS-XHSDSOJGSA-N 2 2 349.523 3.020 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454373961 310306065 /nfs/dbraw/zinc/30/60/65/310306065.db2.gz RNMDEMZPAVLBHS-XHSDSOJGSA-N 2 2 349.523 3.020 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454386177 310306806 /nfs/dbraw/zinc/30/68/06/310306806.db2.gz XFDHZQJWTOOYCR-GASCZTMLSA-N 2 2 346.519 3.254 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000454386177 310306807 /nfs/dbraw/zinc/30/68/07/310306807.db2.gz XFDHZQJWTOOYCR-GASCZTMLSA-N 2 2 346.519 3.254 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000456705838 310419007 /nfs/dbraw/zinc/41/90/07/310419007.db2.gz IRINPNIIYVZFDG-QWHCGFSZSA-N 2 2 346.475 3.003 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H]1SC ZINC000459377030 310548386 /nfs/dbraw/zinc/54/83/86/310548386.db2.gz WTENINLGKYEOLI-INDMIFKZSA-N 2 2 334.529 3.322 20 0 EGADLP FC(F)CN1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000463248746 310610543 /nfs/dbraw/zinc/61/05/43/310610543.db2.gz ALFONPAHQADYJG-UHFFFAOYSA-N 2 2 343.506 3.352 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)[NH+](C)C)cc1 ZINC000474474255 310794333 /nfs/dbraw/zinc/79/43/33/310794333.db2.gz LCZBIGDAOXSBQN-OBZTUIKSSA-N 2 2 346.515 3.419 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000482228757 310928699 /nfs/dbraw/zinc/92/86/99/310928699.db2.gz DPKVJZGBHOGAKN-UHFFFAOYSA-N 2 2 338.879 3.338 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCc4ccccc4OC3)cc2)c[nH+]1 ZINC000491821460 311189729 /nfs/dbraw/zinc/18/97/29/311189729.db2.gz SHACHZMOWUBRDI-HXUWFJFHSA-N 2 2 333.435 3.415 20 0 EGADLP O=C(/C=C/c1c(F)cccc1F)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491858738 311193002 /nfs/dbraw/zinc/19/30/02/311193002.db2.gz ITBNZWYSFLGMFQ-SNAWJCMRSA-N 2 2 326.306 3.197 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000491967717 311203794 /nfs/dbraw/zinc/20/37/94/311203794.db2.gz WWZWMKGEFSYQJK-UGZSSSENSA-N 2 2 340.471 3.032 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)c1ccccc1Cl ZINC000493225862 311345511 /nfs/dbraw/zinc/34/55/11/311345511.db2.gz PQCDWAAMKIJZNE-ZNFPLGDCSA-N 2 2 346.862 3.276 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)n1C ZINC000496964731 311793235 /nfs/dbraw/zinc/79/32/35/311793235.db2.gz URNFELNILKVECQ-UHFFFAOYSA-N 2 2 344.459 3.043 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506479804 312050348 /nfs/dbraw/zinc/05/03/48/312050348.db2.gz KDIMXLJWIBCCOR-VJANTYMQSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506479804 312050350 /nfs/dbraw/zinc/05/03/50/312050350.db2.gz KDIMXLJWIBCCOR-VJANTYMQSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506479804 312050352 /nfs/dbraw/zinc/05/03/52/312050352.db2.gz KDIMXLJWIBCCOR-VJANTYMQSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506479804 312050354 /nfs/dbraw/zinc/05/03/54/312050354.db2.gz KDIMXLJWIBCCOR-VJANTYMQSA-N 2 2 337.552 3.266 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880290 312105228 /nfs/dbraw/zinc/10/52/28/312105228.db2.gz UUDHSSLOKXHTCI-QGZVFWFLSA-N 2 2 331.504 3.423 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880290 312105231 /nfs/dbraw/zinc/10/52/31/312105231.db2.gz UUDHSSLOKXHTCI-QGZVFWFLSA-N 2 2 331.504 3.423 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880290 312105233 /nfs/dbraw/zinc/10/52/33/312105233.db2.gz UUDHSSLOKXHTCI-QGZVFWFLSA-N 2 2 331.504 3.423 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000508880290 312105236 /nfs/dbraw/zinc/10/52/36/312105236.db2.gz UUDHSSLOKXHTCI-QGZVFWFLSA-N 2 2 331.504 3.423 20 0 EGADLP Cc1cccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cccc(F)c2)c1 ZINC000510720628 312146728 /nfs/dbraw/zinc/14/67/28/312146728.db2.gz MSJIZTBFMOLPJS-NHCUHLMSSA-N 2 2 342.458 3.270 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(Br)cc2Cl)n1C ZINC000515673282 312293800 /nfs/dbraw/zinc/29/38/00/312293800.db2.gz SUGREKGAPBOWET-UHFFFAOYSA-N 2 2 342.668 3.477 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000516606072 312332151 /nfs/dbraw/zinc/33/21/51/312332151.db2.gz AZKCQSZCXSLFNZ-INIZCTEOSA-N 2 2 335.455 3.366 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000516606072 312332152 /nfs/dbraw/zinc/33/21/52/312332152.db2.gz AZKCQSZCXSLFNZ-INIZCTEOSA-N 2 2 335.455 3.366 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661055 312336183 /nfs/dbraw/zinc/33/61/83/312336183.db2.gz JVUBKRBMUDUGDZ-WMZOPIPTSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661055 312336184 /nfs/dbraw/zinc/33/61/84/312336184.db2.gz JVUBKRBMUDUGDZ-WMZOPIPTSA-N 2 2 349.906 3.076 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000516782019 312341932 /nfs/dbraw/zinc/34/19/32/312341932.db2.gz DYJVOVUJCWLCIR-MRXNPFEDSA-N 2 2 334.423 3.332 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000516782019 312341933 /nfs/dbraw/zinc/34/19/33/312341933.db2.gz DYJVOVUJCWLCIR-MRXNPFEDSA-N 2 2 334.423 3.332 20 0 EGADLP Cc1[nH]c2cc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000516782019 312341935 /nfs/dbraw/zinc/34/19/35/312341935.db2.gz DYJVOVUJCWLCIR-MRXNPFEDSA-N 2 2 334.423 3.332 20 0 EGADLP Cc1[nH]c2cc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH+]1 ZINC000516782019 312341937 /nfs/dbraw/zinc/34/19/37/312341937.db2.gz DYJVOVUJCWLCIR-MRXNPFEDSA-N 2 2 334.423 3.332 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1OC ZINC000519559036 312460372 /nfs/dbraw/zinc/46/03/72/312460372.db2.gz KWTHSVWUBUWWNJ-AWEZNQCLSA-N 2 2 329.444 3.396 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396156 313083024 /nfs/dbraw/zinc/08/30/24/313083024.db2.gz OFICJHCZVLPWSZ-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396156 313083028 /nfs/dbraw/zinc/08/30/28/313083028.db2.gz OFICJHCZVLPWSZ-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396156 313083032 /nfs/dbraw/zinc/08/30/32/313083032.db2.gz OFICJHCZVLPWSZ-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000528396156 313083038 /nfs/dbraw/zinc/08/30/38/313083038.db2.gz OFICJHCZVLPWSZ-GXTWGEPZSA-N 2 2 341.858 3.222 20 0 EGADLP CC(C)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528726981 313156877 /nfs/dbraw/zinc/15/68/77/313156877.db2.gz IKMXGFDTWNRMDX-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1ncc(C[NH+](C)CC(C)C[N@H+](C)Cc2cnc(C)s2)s1 ZINC000069699426 454134186 /nfs/dbraw/zinc/13/41/86/454134186.db2.gz CKSRQBVQDNSCDS-UHFFFAOYSA-N 2 2 338.546 3.416 20 0 EGADLP Cc1ncc(C[NH+](C)CC(C)C[N@@H+](C)Cc2cnc(C)s2)s1 ZINC000069699426 454134188 /nfs/dbraw/zinc/13/41/88/454134188.db2.gz CKSRQBVQDNSCDS-UHFFFAOYSA-N 2 2 338.546 3.416 20 0 EGADLP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(C)c[nH+]1 ZINC000534325331 313972208 /nfs/dbraw/zinc/97/22/08/313972208.db2.gz BDWRKGYPJBMBAY-UHFFFAOYSA-N 2 2 344.503 3.431 20 0 EGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535758070 314069527 /nfs/dbraw/zinc/06/95/27/314069527.db2.gz KGDLAWMIZANVDT-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535758070 314069529 /nfs/dbraw/zinc/06/95/29/314069529.db2.gz KGDLAWMIZANVDT-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041732 314090036 /nfs/dbraw/zinc/09/00/36/314090036.db2.gz KPONZCJUKJKTCF-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041732 314090038 /nfs/dbraw/zinc/09/00/38/314090038.db2.gz KPONZCJUKJKTCF-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041732 314090042 /nfs/dbraw/zinc/09/00/42/314090042.db2.gz KPONZCJUKJKTCF-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@H]1C ZINC000536041732 314090044 /nfs/dbraw/zinc/09/00/44/314090044.db2.gz KPONZCJUKJKTCF-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c(C)c[nH+]1 ZINC000536619987 314131342 /nfs/dbraw/zinc/13/13/42/314131342.db2.gz JUDIKELWJLCTKA-LJQANCHMSA-N 2 2 338.455 3.079 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O[C@@H](C)C2 ZINC000536695274 314139178 /nfs/dbraw/zinc/13/91/78/314139178.db2.gz XCINLJPUWUEICP-DLBZAZTESA-N 2 2 344.499 3.326 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O[C@@H](C)C2 ZINC000536695274 314139181 /nfs/dbraw/zinc/13/91/81/314139181.db2.gz XCINLJPUWUEICP-DLBZAZTESA-N 2 2 344.499 3.326 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000536859874 314150349 /nfs/dbraw/zinc/15/03/49/314150349.db2.gz VTZOYFPYGCLGCI-MLGOLLRUSA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2Br)[C@H](C)C1 ZINC000536859874 314150352 /nfs/dbraw/zinc/15/03/52/314150352.db2.gz VTZOYFPYGCLGCI-MLGOLLRUSA-N 2 2 341.293 3.278 20 0 EGADLP COc1ccc([C@H]([NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000536948848 314154749 /nfs/dbraw/zinc/15/47/49/314154749.db2.gz CTGFUGJBPPJKJM-ABSDTBQOSA-N 2 2 334.504 3.481 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000537629635 314198571 /nfs/dbraw/zinc/19/85/71/314198571.db2.gz RJERFTJKARZCEL-KRWDZBQOSA-N 2 2 336.443 3.068 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000537629635 314198574 /nfs/dbraw/zinc/19/85/74/314198574.db2.gz RJERFTJKARZCEL-KRWDZBQOSA-N 2 2 336.443 3.068 20 0 EGADLP CCC(CC)[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000538179190 314230822 /nfs/dbraw/zinc/23/08/22/314230822.db2.gz LJIQOMKMLCUEMR-JYWFKMLOSA-N 2 2 348.531 3.224 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068952 314293760 /nfs/dbraw/zinc/29/37/60/314293760.db2.gz JZRMAFAIAYCODQ-IUODEOHRSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068952 314293762 /nfs/dbraw/zinc/29/37/62/314293762.db2.gz JZRMAFAIAYCODQ-IUODEOHRSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@@H]1C[C@@H](N[C@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000540146832 314365700 /nfs/dbraw/zinc/36/57/00/314365700.db2.gz MBMFOKVJBXWFEP-ZNLUXHQJSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@@H](N[C@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000540146832 314365704 /nfs/dbraw/zinc/36/57/04/314365704.db2.gz MBMFOKVJBXWFEP-ZNLUXHQJSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@@H](N[C@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146832 314365708 /nfs/dbraw/zinc/36/57/08/314365708.db2.gz MBMFOKVJBXWFEP-ZNLUXHQJSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@@H](N[C@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146832 314365711 /nfs/dbraw/zinc/36/57/11/314365711.db2.gz MBMFOKVJBXWFEP-ZNLUXHQJSA-N 2 2 335.495 3.426 20 0 EGADLP COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000551750345 315166627 /nfs/dbraw/zinc/16/66/27/315166627.db2.gz YWKPDYRCNPEIDS-GOSISDBHSA-N 2 2 336.451 3.092 20 0 EGADLP COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000551750345 315166630 /nfs/dbraw/zinc/16/66/30/315166630.db2.gz YWKPDYRCNPEIDS-GOSISDBHSA-N 2 2 336.451 3.092 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000552048596 315192938 /nfs/dbraw/zinc/19/29/38/315192938.db2.gz XPYBMPFZIGSHHV-UWJYYQICSA-N 2 2 339.483 3.305 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000552048596 315192941 /nfs/dbraw/zinc/19/29/41/315192941.db2.gz XPYBMPFZIGSHHV-UWJYYQICSA-N 2 2 339.483 3.305 20 0 EGADLP CCc1cnc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000554961036 315359678 /nfs/dbraw/zinc/35/96/78/315359678.db2.gz QWEQWXYZEHSJKV-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000554961036 315359679 /nfs/dbraw/zinc/35/96/79/315359679.db2.gz QWEQWXYZEHSJKV-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000554961036 315359681 /nfs/dbraw/zinc/35/96/81/315359681.db2.gz QWEQWXYZEHSJKV-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000554961036 315359682 /nfs/dbraw/zinc/35/96/82/315359682.db2.gz QWEQWXYZEHSJKV-ZWKOTPCHSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000557323201 315506683 /nfs/dbraw/zinc/50/66/83/315506683.db2.gz RKTIMIHGGAYQDM-GOSISDBHSA-N 2 2 337.471 3.069 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000562673422 315874183 /nfs/dbraw/zinc/87/41/83/315874183.db2.gz XDNFKTQONFORNG-IRXDYDNUSA-N 2 2 347.507 3.157 20 0 EGADLP C[C@]1(CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[NH2+]C1 ZINC000563453313 316024593 /nfs/dbraw/zinc/02/45/93/316024593.db2.gz AFBURPDMLLHEFE-IBGZPJMESA-N 2 2 340.427 3.385 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3C[C@H]3C3CCC3)c2cc1C ZINC000563529791 316034314 /nfs/dbraw/zinc/03/43/14/316034314.db2.gz GHJIWVWNAUZRNS-BZSNNMDCSA-N 2 2 327.472 3.040 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)n1-c1ccccc1 ZINC000563550460 316037707 /nfs/dbraw/zinc/03/77/07/316037707.db2.gz RPQPOKYILBFRTG-QGZVFWFLSA-N 2 2 337.398 3.413 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000563807593 316071891 /nfs/dbraw/zinc/07/18/91/316071891.db2.gz AGAUPSMDRIUOMU-QGZVFWFLSA-N 2 2 346.519 3.102 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000564380229 316144569 /nfs/dbraw/zinc/14/45/69/316144569.db2.gz QKEFDRSVAYPVHC-MRXNPFEDSA-N 2 2 336.439 3.056 20 0 EGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)[nH]1 ZINC000564823303 316212254 /nfs/dbraw/zinc/21/22/54/316212254.db2.gz IXSCUVCANRPRMH-OTRWWLKZSA-N 2 2 327.476 3.462 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@H]([NH3+])c3ccccc3C)ccc2n1C1CC1 ZINC000564938297 316235471 /nfs/dbraw/zinc/23/54/71/316235471.db2.gz WIPKMNBJFYAQPZ-HXUWFJFHSA-N 2 2 348.450 3.304 20 0 EGADLP C[C@H](CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072100 316260796 /nfs/dbraw/zinc/26/07/96/316260796.db2.gz ZRXOPVXTEGUCGB-ZIAGYGMSSA-N 2 2 347.488 3.161 20 0 EGADLP C[C@H](CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)n1cc[nH+]c1 ZINC000565072100 316260799 /nfs/dbraw/zinc/26/07/99/316260799.db2.gz ZRXOPVXTEGUCGB-ZIAGYGMSSA-N 2 2 347.488 3.161 20 0 EGADLP CC(C)c1[nH+]c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c2ccccn21 ZINC000565080979 316262153 /nfs/dbraw/zinc/26/21/53/316262153.db2.gz IBGDZTPXQYEUSD-SJORKVTESA-N 2 2 331.485 3.164 20 0 EGADLP CC(C)c1[nH+]c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c2ccccn21 ZINC000565080979 316262157 /nfs/dbraw/zinc/26/21/57/316262157.db2.gz IBGDZTPXQYEUSD-SJORKVTESA-N 2 2 331.485 3.164 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229921 316295533 /nfs/dbraw/zinc/29/55/33/316295533.db2.gz OSYPOKVGKBSZSG-PFOXWKGBSA-N 2 2 336.426 3.165 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229921 316295537 /nfs/dbraw/zinc/29/55/37/316295537.db2.gz OSYPOKVGKBSZSG-PFOXWKGBSA-N 2 2 336.426 3.165 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000565241167 316297136 /nfs/dbraw/zinc/29/71/36/316297136.db2.gz AFWMYNUVNXVHSK-CALCHBBNSA-N 3 2 340.515 3.496 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1C ZINC000565241167 316297138 /nfs/dbraw/zinc/29/71/38/316297138.db2.gz AFWMYNUVNXVHSK-CALCHBBNSA-N 3 2 340.515 3.496 20 0 EGADLP COC(=O)c1cc([C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)oc1C ZINC000565282650 316302478 /nfs/dbraw/zinc/30/24/78/316302478.db2.gz LQESJDHCBSNBJT-CYBMUJFWSA-N 2 2 343.427 3.407 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1)CC(C)C ZINC000565373041 316316945 /nfs/dbraw/zinc/31/69/45/316316945.db2.gz NSMZJHQMXDHDNF-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1)CC(C)C ZINC000565373041 316316948 /nfs/dbraw/zinc/31/69/48/316316948.db2.gz NSMZJHQMXDHDNF-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000565373041 316316950 /nfs/dbraw/zinc/31/69/50/316316950.db2.gz NSMZJHQMXDHDNF-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000565373041 316316953 /nfs/dbraw/zinc/31/69/53/316316953.db2.gz NSMZJHQMXDHDNF-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)c(OC)c1 ZINC000565958690 316394802 /nfs/dbraw/zinc/39/48/02/316394802.db2.gz CWSQNLBTGIZZDH-OLZOCXBDSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)cs2)c(OC)c1 ZINC000565958690 316394804 /nfs/dbraw/zinc/39/48/04/316394804.db2.gz CWSQNLBTGIZZDH-OLZOCXBDSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)c(OC)c1 ZINC000565958689 316394815 /nfs/dbraw/zinc/39/48/15/316394815.db2.gz CWSQNLBTGIZZDH-CHWSQXEVSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)c(OC)c1 ZINC000565958689 316394819 /nfs/dbraw/zinc/39/48/19/316394819.db2.gz CWSQNLBTGIZZDH-CHWSQXEVSA-N 2 2 347.484 3.139 20 0 EGADLP Fc1ccc([C@H](NC[C@H]2[NH2+]CCc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000566614232 316503095 /nfs/dbraw/zinc/50/30/95/316503095.db2.gz WZUYEAOCOYHLPE-MOPGFXCFSA-N 2 2 336.414 3.115 20 0 EGADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570107634 317008956 /nfs/dbraw/zinc/00/89/56/317008956.db2.gz YHOGWPQAKJSAHO-OAHLLOKOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570107634 317008961 /nfs/dbraw/zinc/00/89/61/317008961.db2.gz YHOGWPQAKJSAHO-OAHLLOKOSA-N 2 2 338.879 3.035 20 0 EGADLP Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000570495887 317063704 /nfs/dbraw/zinc/06/37/04/317063704.db2.gz PMMLEGCFJMPUCL-OAHLLOKOSA-N 2 2 339.439 3.254 20 0 EGADLP Cc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000570495887 317063708 /nfs/dbraw/zinc/06/37/08/317063708.db2.gz PMMLEGCFJMPUCL-OAHLLOKOSA-N 2 2 339.439 3.254 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2)n1C ZINC000570867027 317118674 /nfs/dbraw/zinc/11/86/74/317118674.db2.gz HWCSTBDGTVTKEH-ZDUSSCGKSA-N 2 2 338.377 3.116 20 0 EGADLP CCC[N@H+](C)[C@H](C[NH2+]C[C@@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040506 317142864 /nfs/dbraw/zinc/14/28/64/317142864.db2.gz FUTZDGUPHNAJHI-HZPDHXFCSA-N 2 2 330.925 3.036 20 0 EGADLP CCC[N@@H+](C)[C@H](C[NH2+]C[C@@H](O)CSC)c1ccc(Cl)cc1 ZINC000571040506 317142865 /nfs/dbraw/zinc/14/28/65/317142865.db2.gz FUTZDGUPHNAJHI-HZPDHXFCSA-N 2 2 330.925 3.036 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000571433325 317199419 /nfs/dbraw/zinc/19/94/19/317199419.db2.gz XYGBGKVOQOGYLH-FQEVSTJZSA-N 2 2 336.435 3.115 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571752164 317241859 /nfs/dbraw/zinc/24/18/59/317241859.db2.gz BUYGEUFVZREXPJ-PBHICJAKSA-N 2 2 341.846 3.033 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000571752164 317241863 /nfs/dbraw/zinc/24/18/63/317241863.db2.gz BUYGEUFVZREXPJ-PBHICJAKSA-N 2 2 341.846 3.033 20 0 EGADLP Cc1cc(C(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)n1C ZINC000572413281 317335764 /nfs/dbraw/zinc/33/57/64/317335764.db2.gz XDHYQFAXPBJORC-UHFFFAOYSA-N 2 2 341.455 3.071 20 0 EGADLP Cc1cc(CNc2nc(C3CC3)[nH+]c3c2CCC3)cc(N2CCCC2)[nH+]1 ZINC000572537376 317353131 /nfs/dbraw/zinc/35/31/31/317353131.db2.gz MGXBOSAWEHIXRN-UHFFFAOYSA-N 2 2 349.482 3.180 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000573799999 317530012 /nfs/dbraw/zinc/53/00/12/317530012.db2.gz OQZJYZQCVRVKAL-AWEZNQCLSA-N 2 2 326.444 3.349 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)Cc1ccc3ccccc3c1)CCC2 ZINC000574071093 317558667 /nfs/dbraw/zinc/55/86/67/317558667.db2.gz CHQIIOVAKQOSJR-RTWAWAEBSA-N 2 2 349.478 3.415 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@@H+]1C ZINC000230309932 456136231 /nfs/dbraw/zinc/13/62/31/456136231.db2.gz MRWRXZPOENFLCY-ZJUUUORDSA-N 2 2 333.220 3.300 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)CC[N@H+]1C ZINC000230309932 456136233 /nfs/dbraw/zinc/13/62/33/456136233.db2.gz MRWRXZPOENFLCY-ZJUUUORDSA-N 2 2 333.220 3.300 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171943023 323262313 /nfs/dbraw/zinc/26/23/13/323262313.db2.gz KXJYKLCBQXSXIG-HNNXBMFYSA-N 2 2 326.444 3.110 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000381408906 324247018 /nfs/dbraw/zinc/24/70/18/324247018.db2.gz XHRGWGSHBGNONA-LSDHHAIUSA-N 2 2 344.459 3.264 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2c[nH]c3cccc(Br)c23)n1C ZINC000580571991 325269506 /nfs/dbraw/zinc/26/95/06/325269506.db2.gz KOLNJTCZMMQOHA-UHFFFAOYSA-N 2 2 347.260 3.305 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000581195750 325340731 /nfs/dbraw/zinc/34/07/31/325340731.db2.gz UJEKIALUHQYTSR-IEBWSBKVSA-N 2 2 340.471 3.096 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412484 325358716 /nfs/dbraw/zinc/35/87/16/325358716.db2.gz QZBZUDNMSKPGMG-DOTOQJQBSA-N 2 2 347.507 3.060 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000581412484 325358718 /nfs/dbraw/zinc/35/87/18/325358718.db2.gz QZBZUDNMSKPGMG-DOTOQJQBSA-N 2 2 347.507 3.060 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[NH2+]CC2([NH3+])CCC2)C(C)C)cc1 ZINC000581549128 325370985 /nfs/dbraw/zinc/37/09/85/325370985.db2.gz WKIGSFJMHWELAF-LJQANCHMSA-N 2 2 331.504 3.094 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCc4ccccc43)c2cc1C ZINC000581721849 325385621 /nfs/dbraw/zinc/38/56/21/325385621.db2.gz SEEUEYSKXAWEPP-RBUKOAKNSA-N 2 2 349.478 3.334 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583928 458466359 /nfs/dbraw/zinc/46/63/59/458466359.db2.gz YKWGGZLNOZURON-ZFWWWQNUSA-N 2 2 325.884 3.281 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474810296 458901965 /nfs/dbraw/zinc/90/19/65/458901965.db2.gz RKMDBSRLCQSAFS-LJISPDSOSA-N 2 2 342.936 3.451 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)C[NH+]1CCOCC1 ZINC000180966880 455271063 /nfs/dbraw/zinc/27/10/63/455271063.db2.gz ATBKKNRAMMFMLE-MRXNPFEDSA-N 2 2 330.428 3.130 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1 ZINC000173359159 455272460 /nfs/dbraw/zinc/27/24/60/455272460.db2.gz WXMTWAVYNHFJJT-SFHVURJKSA-N 2 2 340.467 3.248 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000173640323 455321153 /nfs/dbraw/zinc/32/11/53/455321153.db2.gz KLOXLYKILFIHLC-HNNXBMFYSA-N 2 2 329.444 3.103 20 0 EGADLP C[N@H+](Cc1coc(-c2ccccc2C(F)(F)F)n1)C1CC([NH3+])C1 ZINC000631826700 460575272 /nfs/dbraw/zinc/57/52/72/460575272.db2.gz VJMXIUOWYZYDDX-UHFFFAOYSA-N 2 2 325.334 3.282 20 0 EGADLP C[N@@H+](Cc1coc(-c2ccccc2C(F)(F)F)n1)C1CC([NH3+])C1 ZINC000631826700 460575278 /nfs/dbraw/zinc/57/52/78/460575278.db2.gz VJMXIUOWYZYDDX-UHFFFAOYSA-N 2 2 325.334 3.282 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857239 460581779 /nfs/dbraw/zinc/58/17/79/460581779.db2.gz FLAYAUAROMOAQU-HZPDHXFCSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857239 460581786 /nfs/dbraw/zinc/58/17/86/460581786.db2.gz FLAYAUAROMOAQU-HZPDHXFCSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857237 460581922 /nfs/dbraw/zinc/58/19/22/460581922.db2.gz FLAYAUAROMOAQU-CVEARBPZSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857237 460581926 /nfs/dbraw/zinc/58/19/26/460581926.db2.gz FLAYAUAROMOAQU-CVEARBPZSA-N 2 2 339.439 3.229 20 0 EGADLP Fc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000012538818 453369449 /nfs/dbraw/zinc/36/94/49/453369449.db2.gz CTBFKWNCYSENDF-UHFFFAOYSA-N 2 2 336.414 3.334 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000014914174 453548602 /nfs/dbraw/zinc/54/86/02/453548602.db2.gz BNRTVDVIBPQRFP-UHFFFAOYSA-N 2 2 338.386 3.082 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000014914174 453548605 /nfs/dbraw/zinc/54/86/05/453548605.db2.gz BNRTVDVIBPQRFP-UHFFFAOYSA-N 2 2 338.386 3.082 20 0 EGADLP Brc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cs1 ZINC000030654563 453837367 /nfs/dbraw/zinc/83/73/67/453837367.db2.gz LCZKVBSXFNDBNO-UHFFFAOYSA-N 2 2 349.257 3.381 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000245754894 455374216 /nfs/dbraw/zinc/37/42/16/455374216.db2.gz ZGJRCQVBMKEICZ-LNLFQRSKSA-N 2 2 346.519 3.336 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000245754894 455374222 /nfs/dbraw/zinc/37/42/22/455374222.db2.gz ZGJRCQVBMKEICZ-LNLFQRSKSA-N 2 2 346.519 3.336 20 0 EGADLP Brc1ccsc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265760379 455376333 /nfs/dbraw/zinc/37/63/33/455376333.db2.gz GWNVQAXXVKZJKV-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP Brc1ccsc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265760379 455376337 /nfs/dbraw/zinc/37/63/37/455376337.db2.gz GWNVQAXXVKZJKV-LBPRGKRZSA-N 2 2 329.307 3.428 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569620 453888341 /nfs/dbraw/zinc/88/83/41/453888341.db2.gz XHYHBZIKKWIYAV-HXUWFJFHSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569620 453888344 /nfs/dbraw/zinc/88/83/44/453888344.db2.gz XHYHBZIKKWIYAV-HXUWFJFHSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569620 453888347 /nfs/dbraw/zinc/88/83/47/453888347.db2.gz XHYHBZIKKWIYAV-HXUWFJFHSA-N 2 2 345.531 3.087 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000081569620 453888349 /nfs/dbraw/zinc/88/83/49/453888349.db2.gz XHYHBZIKKWIYAV-HXUWFJFHSA-N 2 2 345.531 3.087 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860188 453932303 /nfs/dbraw/zinc/93/23/03/453932303.db2.gz RHLRTKVEVFBWJY-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860188 453932307 /nfs/dbraw/zinc/93/23/07/453932307.db2.gz RHLRTKVEVFBWJY-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075860188 453932309 /nfs/dbraw/zinc/93/23/09/453932309.db2.gz RHLRTKVEVFBWJY-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075860188 453932313 /nfs/dbraw/zinc/93/23/13/453932313.db2.gz RHLRTKVEVFBWJY-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000076002905 453947752 /nfs/dbraw/zinc/94/77/52/453947752.db2.gz ZZNGVIYNSJCWNB-PKOBYXMFSA-N 2 2 345.531 3.090 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000076002905 453947753 /nfs/dbraw/zinc/94/77/53/453947753.db2.gz ZZNGVIYNSJCWNB-PKOBYXMFSA-N 2 2 345.531 3.090 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094245 453968929 /nfs/dbraw/zinc/96/89/29/453968929.db2.gz QGXUBVPZSFLTMG-MRXNPFEDSA-N 2 2 335.517 3.234 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094245 453968932 /nfs/dbraw/zinc/96/89/32/453968932.db2.gz QGXUBVPZSFLTMG-MRXNPFEDSA-N 2 2 335.517 3.234 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094245 453968935 /nfs/dbraw/zinc/96/89/35/453968935.db2.gz QGXUBVPZSFLTMG-MRXNPFEDSA-N 2 2 335.517 3.234 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000084094245 453968937 /nfs/dbraw/zinc/96/89/37/453968937.db2.gz QGXUBVPZSFLTMG-MRXNPFEDSA-N 2 2 335.517 3.234 20 0 EGADLP CCCN(Cc1[nH+]ccn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000076746506 454032887 /nfs/dbraw/zinc/03/28/87/454032887.db2.gz PRVQRFQVQSDVCU-IBGZPJMESA-N 2 2 326.488 3.297 20 0 EGADLP CCCN(Cc1[nH+]ccn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076746506 454032889 /nfs/dbraw/zinc/03/28/89/454032889.db2.gz PRVQRFQVQSDVCU-IBGZPJMESA-N 2 2 326.488 3.297 20 0 EGADLP Cc1cccc2[nH+]c(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cn21 ZINC000068571338 454038358 /nfs/dbraw/zinc/03/83/58/454038358.db2.gz NWPPFCILMZAKDU-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1 ZINC000076901045 454046976 /nfs/dbraw/zinc/04/69/76/454046976.db2.gz XEQRRRBXMAHFDK-UHFFFAOYSA-N 2 2 336.439 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000089615095 454167638 /nfs/dbraw/zinc/16/76/38/454167638.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000089615095 454167643 /nfs/dbraw/zinc/16/76/43/454167643.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCC[NH+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615095 454167645 /nfs/dbraw/zinc/16/76/45/454167645.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCC[NH+]2C)CC[NH+]1Cc1ccccc1 ZINC000089615095 454167647 /nfs/dbraw/zinc/16/76/47/454167647.db2.gz LWPYVRYFFLFCGS-HLAWJBBLSA-N 3 2 329.532 3.456 20 0 EGADLP COc1cc2c(cc1C[NH2+]C[C@H]1CCCn3cc(C)[nH+]c31)O[C@H](C)C2 ZINC000089702117 454179677 /nfs/dbraw/zinc/17/96/77/454179677.db2.gz FTHVANLQCCQLHK-HUUCEWRRSA-N 2 2 341.455 3.191 20 0 EGADLP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)O[C@H](C)C2 ZINC000089702116 454180107 /nfs/dbraw/zinc/18/01/07/454180107.db2.gz FTHVANLQCCQLHK-CABCVRRESA-N 2 2 341.455 3.191 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000071890849 454244869 /nfs/dbraw/zinc/24/48/69/454244869.db2.gz PKBNYKWNVJJBMK-IAGOWNOFSA-N 2 2 340.471 3.224 20 0 EGADLP c1cn(CCN2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)c[nH+]1 ZINC000131304139 454245781 /nfs/dbraw/zinc/24/57/81/454245781.db2.gz QHBWYBZQXRVKNG-UHFFFAOYSA-N 2 2 342.531 3.107 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCCC2 ZINC000089986168 454254616 /nfs/dbraw/zinc/25/46/16/454254616.db2.gz QTRJVXSCRXOOAL-WOJBJXKFSA-N 2 2 343.515 3.373 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000090003505 454260908 /nfs/dbraw/zinc/26/09/08/454260908.db2.gz UKVXGTDIYFCGML-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000090003505 454260909 /nfs/dbraw/zinc/26/09/09/454260909.db2.gz UKVXGTDIYFCGML-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090082916 454274669 /nfs/dbraw/zinc/27/46/69/454274669.db2.gz OOEKZHJEZVCJCT-INIZCTEOSA-N 2 2 329.444 3.109 20 0 EGADLP c1sc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)nc1C1CC1 ZINC000090460599 454309134 /nfs/dbraw/zinc/30/91/34/454309134.db2.gz HECKWCPTPSDWQW-UHFFFAOYSA-N 2 2 328.485 3.170 20 0 EGADLP Nc1nc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]c2ccccc12 ZINC000132152913 454317538 /nfs/dbraw/zinc/31/75/38/454317538.db2.gz XAXFNLGJTPRZII-UHFFFAOYSA-N 2 2 333.439 3.420 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000266726921 455443526 /nfs/dbraw/zinc/44/35/26/455443526.db2.gz IPNRETVEQBYQSO-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H]1COc2ccccc21 ZINC000090845599 454344899 /nfs/dbraw/zinc/34/48/99/454344899.db2.gz IPTOYJLWSJNJDZ-OXQOHEQNSA-N 2 2 337.467 3.200 20 0 EGADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072965767 454372305 /nfs/dbraw/zinc/37/23/05/454372305.db2.gz JMMZKFLRVUIGCE-PKOBYXMFSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000072965767 454372309 /nfs/dbraw/zinc/37/23/09/454372309.db2.gz JMMZKFLRVUIGCE-PKOBYXMFSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000072965767 454372317 /nfs/dbraw/zinc/37/23/17/454372317.db2.gz JMMZKFLRVUIGCE-PKOBYXMFSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000072965767 454372321 /nfs/dbraw/zinc/37/23/21/454372321.db2.gz JMMZKFLRVUIGCE-PKOBYXMFSA-N 2 2 343.515 3.133 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1nc2ccccc2n1C ZINC000091287547 454423052 /nfs/dbraw/zinc/42/30/52/454423052.db2.gz RNSJMPRBWAHLNX-INIZCTEOSA-N 2 2 349.482 3.284 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000121415268 454431790 /nfs/dbraw/zinc/43/17/90/454431790.db2.gz JKTOHBXWJUPJHP-LJQANCHMSA-N 2 2 332.488 3.020 20 0 EGADLP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000121415268 454431795 /nfs/dbraw/zinc/43/17/95/454431795.db2.gz JKTOHBXWJUPJHP-LJQANCHMSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143742 454461827 /nfs/dbraw/zinc/46/18/27/454461827.db2.gz KCERRWFGRPHVFM-YJBOKZPZSA-N 2 2 344.886 3.410 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143742 454461831 /nfs/dbraw/zinc/46/18/31/454461831.db2.gz KCERRWFGRPHVFM-YJBOKZPZSA-N 2 2 344.886 3.410 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121817839 454480710 /nfs/dbraw/zinc/48/07/10/454480710.db2.gz UIXZZJADXNUJIY-HXUWFJFHSA-N 3 2 329.532 3.015 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121817839 454480714 /nfs/dbraw/zinc/48/07/14/454480714.db2.gz UIXZZJADXNUJIY-HXUWFJFHSA-N 3 2 329.532 3.015 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752553 455448180 /nfs/dbraw/zinc/44/81/80/455448180.db2.gz QQYSZOWDMPOGKX-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752553 455448184 /nfs/dbraw/zinc/44/81/84/455448184.db2.gz QQYSZOWDMPOGKX-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000092071850 454516297 /nfs/dbraw/zinc/51/62/97/454516297.db2.gz NLHOYKPKQFVULA-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000092071850 454516301 /nfs/dbraw/zinc/51/63/01/454516301.db2.gz NLHOYKPKQFVULA-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000092165325 454531449 /nfs/dbraw/zinc/53/14/49/454531449.db2.gz CEFCICUKEYGLJO-HNNXBMFYSA-N 2 2 332.488 3.325 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000092165325 454531450 /nfs/dbraw/zinc/53/14/50/454531450.db2.gz CEFCICUKEYGLJO-HNNXBMFYSA-N 2 2 332.488 3.325 20 0 EGADLP c1cc(-c2noc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000134861874 454599989 /nfs/dbraw/zinc/59/99/89/454599989.db2.gz UERTZCJBSVQCMS-CJNGLKHVSA-N 2 2 344.484 3.247 20 0 EGADLP c1cc(-c2noc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cs1 ZINC000134861874 454599994 /nfs/dbraw/zinc/59/99/94/454599994.db2.gz UERTZCJBSVQCMS-CJNGLKHVSA-N 2 2 344.484 3.247 20 0 EGADLP c1cc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cs1 ZINC000134861874 454600000 /nfs/dbraw/zinc/60/00/00/454600000.db2.gz UERTZCJBSVQCMS-CJNGLKHVSA-N 2 2 344.484 3.247 20 0 EGADLP c1cc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cs1 ZINC000134861874 454600005 /nfs/dbraw/zinc/60/00/05/454600005.db2.gz UERTZCJBSVQCMS-CJNGLKHVSA-N 2 2 344.484 3.247 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[N@@H+]1CCc2ccccc2C1 ZINC000123122135 454604465 /nfs/dbraw/zinc/60/44/65/454604465.db2.gz QZWVQXNZQIDFSF-FXAWDEMLSA-N 2 2 345.531 3.060 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)CC(=O)N(CC)CC)[N@H+]1CCc2ccccc2C1 ZINC000123122135 454604468 /nfs/dbraw/zinc/60/44/68/454604468.db2.gz QZWVQXNZQIDFSF-FXAWDEMLSA-N 2 2 345.531 3.060 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000134914422 454608297 /nfs/dbraw/zinc/60/82/97/454608297.db2.gz PVTHPGXSMOSNHV-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000134914422 454608302 /nfs/dbraw/zinc/60/83/02/454608302.db2.gz PVTHPGXSMOSNHV-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000134914422 454608306 /nfs/dbraw/zinc/60/83/06/454608306.db2.gz PVTHPGXSMOSNHV-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000134914422 454608310 /nfs/dbraw/zinc/60/83/10/454608310.db2.gz PVTHPGXSMOSNHV-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cn1 ZINC000092740876 454622274 /nfs/dbraw/zinc/62/22/74/454622274.db2.gz LGPOWLNWGVKAQW-CVEARBPZSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cn1 ZINC000092740876 454622279 /nfs/dbraw/zinc/62/22/79/454622279.db2.gz LGPOWLNWGVKAQW-CVEARBPZSA-N 2 2 343.446 3.292 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000635002270 460646493 /nfs/dbraw/zinc/64/64/93/460646493.db2.gz NAKJGDWWBYUZKV-UHFFFAOYSA-N 2 2 344.430 3.164 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958613 454657754 /nfs/dbraw/zinc/65/77/54/454657754.db2.gz OFBLDPGQPAZXDH-KGLIPLIRSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958613 454657757 /nfs/dbraw/zinc/65/77/57/454657757.db2.gz OFBLDPGQPAZXDH-KGLIPLIRSA-N 2 2 330.407 3.064 20 0 EGADLP C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000093310944 454701868 /nfs/dbraw/zinc/70/18/68/454701868.db2.gz IVRCEEBMOWJRQX-QGZVFWFLSA-N 2 2 336.439 3.040 20 0 EGADLP C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000093310944 454701869 /nfs/dbraw/zinc/70/18/69/454701869.db2.gz IVRCEEBMOWJRQX-QGZVFWFLSA-N 2 2 336.439 3.040 20 0 EGADLP Cc1cnn(-c2cc[nH+]cc2NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000136206740 454729423 /nfs/dbraw/zinc/72/94/23/454729423.db2.gz BQMYDUDCLCBQEI-UHFFFAOYSA-N 2 2 330.395 3.374 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000136304055 454734729 /nfs/dbraw/zinc/73/47/29/454734729.db2.gz KNOOCDQRUAVBSL-UHFFFAOYSA-N 2 2 333.386 3.458 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000136304055 454734733 /nfs/dbraw/zinc/73/47/33/454734733.db2.gz KNOOCDQRUAVBSL-UHFFFAOYSA-N 2 2 333.386 3.458 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)[nH]1 ZINC000093795132 454735886 /nfs/dbraw/zinc/73/58/86/454735886.db2.gz CSVIYEJWUYKAQG-MJGOQNOKSA-N 2 2 341.455 3.347 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)[nH]1 ZINC000093795132 454735892 /nfs/dbraw/zinc/73/58/92/454735892.db2.gz CSVIYEJWUYKAQG-MJGOQNOKSA-N 2 2 341.455 3.347 20 0 EGADLP CCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124852029 454776085 /nfs/dbraw/zinc/77/60/85/454776085.db2.gz IQCVTQRIOYNNIB-RTBURBONSA-N 2 2 337.552 3.362 20 0 EGADLP CCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124852029 454776087 /nfs/dbraw/zinc/77/60/87/454776087.db2.gz IQCVTQRIOYNNIB-RTBURBONSA-N 2 2 337.552 3.362 20 0 EGADLP CN(C(=O)c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124850230 454776604 /nfs/dbraw/zinc/77/66/04/454776604.db2.gz XMENNROERFNTOI-UXHICEINSA-N 2 2 343.515 3.096 20 0 EGADLP CN(C(=O)c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124850230 454776609 /nfs/dbraw/zinc/77/66/09/454776609.db2.gz XMENNROERFNTOI-UXHICEINSA-N 2 2 343.515 3.096 20 0 EGADLP COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000125044761 454792541 /nfs/dbraw/zinc/79/25/41/454792541.db2.gz JUZLCGJQMMWENF-UHFFFAOYSA-N 2 2 325.412 3.422 20 0 EGADLP COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000125044761 454792545 /nfs/dbraw/zinc/79/25/45/454792545.db2.gz JUZLCGJQMMWENF-UHFFFAOYSA-N 2 2 325.412 3.422 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872716 454812358 /nfs/dbraw/zinc/81/23/58/454812358.db2.gz ADCAIEKHXCVQLE-PXNSSMCTSA-N 2 2 337.467 3.194 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872716 454812361 /nfs/dbraw/zinc/81/23/61/454812361.db2.gz ADCAIEKHXCVQLE-PXNSSMCTSA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872716 454812362 /nfs/dbraw/zinc/81/23/62/454812362.db2.gz ADCAIEKHXCVQLE-PXNSSMCTSA-N 2 2 337.467 3.194 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)CC[C@@H]21 ZINC000139872716 454812364 /nfs/dbraw/zinc/81/23/64/454812364.db2.gz ADCAIEKHXCVQLE-PXNSSMCTSA-N 2 2 337.467 3.194 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033942 454813873 /nfs/dbraw/zinc/81/38/73/454813873.db2.gz ZVVXUGCWCNGDSQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033942 454813875 /nfs/dbraw/zinc/81/38/75/454813875.db2.gz ZVVXUGCWCNGDSQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033942 454813877 /nfs/dbraw/zinc/81/38/77/454813877.db2.gz ZVVXUGCWCNGDSQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033942 454813880 /nfs/dbraw/zinc/81/38/80/454813880.db2.gz ZVVXUGCWCNGDSQ-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000109786892 454836552 /nfs/dbraw/zinc/83/65/52/454836552.db2.gz XEKQKZCMHASXKG-UHFFFAOYSA-N 2 2 345.531 3.379 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000109786892 454836557 /nfs/dbraw/zinc/83/65/57/454836557.db2.gz XEKQKZCMHASXKG-UHFFFAOYSA-N 2 2 345.531 3.379 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CCC(n4cc[nH+]c4)CC3)co2)cc1 ZINC000109792582 454836611 /nfs/dbraw/zinc/83/66/11/454836611.db2.gz NJSWSIZZYQPGLP-UHFFFAOYSA-N 2 2 338.411 3.384 20 0 EGADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000109793739 454837249 /nfs/dbraw/zinc/83/72/49/454837249.db2.gz CSNLABMKQNJLOQ-AWEZNQCLSA-N 2 2 346.862 3.051 20 0 EGADLP CC[NH+](CC)CCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000126002608 454862758 /nfs/dbraw/zinc/86/27/58/454862758.db2.gz CIVNHACXRPWBIR-UHFFFAOYSA-N 2 2 338.459 3.349 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000163804210 454865175 /nfs/dbraw/zinc/86/51/75/454865175.db2.gz OSTYKDHULAZLGM-UHFFFAOYSA-N 3 2 338.499 3.180 20 0 EGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000182241538 455470085 /nfs/dbraw/zinc/47/00/85/455470085.db2.gz FMIFZBSMMUUJFZ-UHFFFAOYSA-N 2 2 325.431 3.464 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037219 454872163 /nfs/dbraw/zinc/87/21/63/454872163.db2.gz XEBNBEXUZUBDFJ-CPUCHLNUSA-N 2 2 330.451 3.453 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037219 454872168 /nfs/dbraw/zinc/87/21/68/454872168.db2.gz XEBNBEXUZUBDFJ-CPUCHLNUSA-N 2 2 330.451 3.453 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367040 454898659 /nfs/dbraw/zinc/89/86/59/454898659.db2.gz PTIFBHUMJVOSKT-QINHECLXSA-N 3 2 333.495 3.108 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165367040 454898662 /nfs/dbraw/zinc/89/86/62/454898662.db2.gz PTIFBHUMJVOSKT-QINHECLXSA-N 3 2 333.495 3.108 20 0 EGADLP C[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000126513777 454899822 /nfs/dbraw/zinc/89/98/22/454899822.db2.gz JGWFFOXIXPGOCC-ZBEGNZNMSA-N 2 2 339.361 3.385 20 0 EGADLP C[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000126513777 454899826 /nfs/dbraw/zinc/89/98/26/454899826.db2.gz JGWFFOXIXPGOCC-ZBEGNZNMSA-N 2 2 339.361 3.385 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CCCC[NH2+]4)cc3)[nH+]c12 ZINC000165501992 454901037 /nfs/dbraw/zinc/90/10/37/454901037.db2.gz IPJMEIITWVUVRI-KRWDZBQOSA-N 2 2 334.423 3.390 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)c1 ZINC000165975120 454906326 /nfs/dbraw/zinc/90/63/26/454906326.db2.gz USFXXRGYXPRDOA-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000154746965 454926115 /nfs/dbraw/zinc/92/61/15/454926115.db2.gz QHRILXJMMBONJE-HSALFYBXSA-N 2 2 349.563 3.220 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000154746965 454926116 /nfs/dbraw/zinc/92/61/16/454926116.db2.gz QHRILXJMMBONJE-HSALFYBXSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000154745239 454926188 /nfs/dbraw/zinc/92/61/88/454926188.db2.gz PMMDEXRHUZGZLR-IBGZPJMESA-N 2 2 337.552 3.076 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000154745239 454926190 /nfs/dbraw/zinc/92/61/90/454926190.db2.gz PMMDEXRHUZGZLR-IBGZPJMESA-N 2 2 337.552 3.076 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000151084412 454934717 /nfs/dbraw/zinc/93/47/17/454934717.db2.gz WCPXSXMIYBAXNC-UHFFFAOYSA-N 2 2 328.391 3.155 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199718 454946875 /nfs/dbraw/zinc/94/68/75/454946875.db2.gz PESKITWXDMAHCX-JKSUJKDBSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199718 454946880 /nfs/dbraw/zinc/94/68/80/454946880.db2.gz PESKITWXDMAHCX-JKSUJKDBSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477977 454956263 /nfs/dbraw/zinc/95/62/63/454956263.db2.gz IRAULVLDMIFSLL-VXGBXAGGSA-N 2 2 344.286 3.204 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477977 454956269 /nfs/dbraw/zinc/95/62/69/454956269.db2.gz IRAULVLDMIFSLL-VXGBXAGGSA-N 2 2 344.286 3.204 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115321269 455009921 /nfs/dbraw/zinc/00/99/21/455009921.db2.gz BQTGBAFIRLWOAE-QGZVFWFLSA-N 2 2 339.439 3.396 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115321269 455009927 /nfs/dbraw/zinc/00/99/27/455009927.db2.gz BQTGBAFIRLWOAE-QGZVFWFLSA-N 2 2 339.439 3.396 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155632798 455024337 /nfs/dbraw/zinc/02/43/37/455024337.db2.gz NOSQBKCDRYRENL-OAHLLOKOSA-N 2 2 329.448 3.108 20 0 EGADLP CCO[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745174 455039052 /nfs/dbraw/zinc/03/90/52/455039052.db2.gz XLCDMYBYYUXGRS-DFQSSKMNSA-N 2 2 333.520 3.333 20 0 EGADLP CCO[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155745174 455039055 /nfs/dbraw/zinc/03/90/55/455039055.db2.gz XLCDMYBYYUXGRS-DFQSSKMNSA-N 2 2 333.520 3.333 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128476375 455059113 /nfs/dbraw/zinc/05/91/13/455059113.db2.gz BMEBXFDRKXXSGM-ZDUSSCGKSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128476375 455059115 /nfs/dbraw/zinc/05/91/15/455059115.db2.gz BMEBXFDRKXXSGM-ZDUSSCGKSA-N 2 2 332.275 3.237 20 0 EGADLP Cc1cc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)nc(C(C)C)[nH+]1 ZINC000128506050 455062787 /nfs/dbraw/zinc/06/27/87/455062787.db2.gz ULLYKIKDMCBHMA-MRXNPFEDSA-N 2 2 325.460 3.187 20 0 EGADLP C[C@@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@H]1CCOC1 ZINC000179782061 455078679 /nfs/dbraw/zinc/07/86/79/455078679.db2.gz OGBUONMNIBYZPG-CABCVRRESA-N 2 2 335.467 3.193 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc([S@@](C)=O)cc1 ZINC000152249868 455091928 /nfs/dbraw/zinc/09/19/28/455091928.db2.gz KUBXZAREVUFAHL-OWJWWREXSA-N 2 2 339.464 3.461 20 0 EGADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000179932337 455101727 /nfs/dbraw/zinc/10/17/27/455101727.db2.gz IOPUORDWBNFCOY-MRXNPFEDSA-N 2 2 344.430 3.240 20 0 EGADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000179932337 455101731 /nfs/dbraw/zinc/10/17/31/455101731.db2.gz IOPUORDWBNFCOY-MRXNPFEDSA-N 2 2 344.430 3.240 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152408264 455114260 /nfs/dbraw/zinc/11/42/60/455114260.db2.gz BRCZUTVSEBOYTK-INIZCTEOSA-N 3 2 347.934 3.378 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152408264 455114263 /nfs/dbraw/zinc/11/42/63/455114263.db2.gz BRCZUTVSEBOYTK-INIZCTEOSA-N 3 2 347.934 3.378 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000152404443 455114390 /nfs/dbraw/zinc/11/43/90/455114390.db2.gz PTNRGOPTWQAUOR-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000152404443 455114394 /nfs/dbraw/zinc/11/43/94/455114394.db2.gz PTNRGOPTWQAUOR-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000152404443 455114398 /nfs/dbraw/zinc/11/43/98/455114398.db2.gz PTNRGOPTWQAUOR-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@H](NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000152404443 455114403 /nfs/dbraw/zinc/11/44/03/455114403.db2.gz PTNRGOPTWQAUOR-QUCCMNQESA-N 2 2 345.531 3.164 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cc1 ZINC000152438853 455119933 /nfs/dbraw/zinc/11/99/33/455119933.db2.gz ATJOAFQZAWYOFD-KRWDZBQOSA-N 3 2 347.934 3.378 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000152438853 455119935 /nfs/dbraw/zinc/11/99/35/455119935.db2.gz ATJOAFQZAWYOFD-KRWDZBQOSA-N 3 2 347.934 3.378 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156474317 455122733 /nfs/dbraw/zinc/12/27/33/455122733.db2.gz LWTYUIZNHSMQKO-IGCXYCKISA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156474317 455122735 /nfs/dbraw/zinc/12/27/35/455122735.db2.gz LWTYUIZNHSMQKO-IGCXYCKISA-N 2 2 348.397 3.071 20 0 EGADLP CC1CC[NH+](CCN2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000152482193 455125599 /nfs/dbraw/zinc/12/55/99/455125599.db2.gz ZOWYHJYWZJYBNZ-UHFFFAOYSA-N 2 2 341.952 3.251 20 0 EGADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000129901619 455132427 /nfs/dbraw/zinc/13/24/27/455132427.db2.gz FVKCKMZBCMGWKV-MRXNPFEDSA-N 2 2 344.890 3.443 20 0 EGADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cc1 ZINC000129901619 455132430 /nfs/dbraw/zinc/13/24/30/455132430.db2.gz FVKCKMZBCMGWKV-MRXNPFEDSA-N 2 2 344.890 3.443 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574534 455162113 /nfs/dbraw/zinc/16/21/13/455162113.db2.gz DFQQFFMDMGTQIV-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000172574534 455162114 /nfs/dbraw/zinc/16/21/14/455162114.db2.gz DFQQFFMDMGTQIV-IEBWSBKVSA-N 2 2 326.488 3.388 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157062846 455163430 /nfs/dbraw/zinc/16/34/30/455163430.db2.gz ITLBEWFRMJXBPF-FXAWDEMLSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157062846 455163432 /nfs/dbraw/zinc/16/34/32/455163432.db2.gz ITLBEWFRMJXBPF-FXAWDEMLSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157062846 455163434 /nfs/dbraw/zinc/16/34/34/455163434.db2.gz ITLBEWFRMJXBPF-FXAWDEMLSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157062846 455163435 /nfs/dbraw/zinc/16/34/35/455163435.db2.gz ITLBEWFRMJXBPF-FXAWDEMLSA-N 2 2 343.515 3.030 20 0 EGADLP CCC[NH+]1CCN(c2ccc(NCc3[nH]cc[nH+]3)cc2Cl)CC1 ZINC000157372836 455188915 /nfs/dbraw/zinc/18/89/15/455188915.db2.gz MUKKFBKXNYFRSG-UHFFFAOYSA-N 2 2 333.867 3.207 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157525782 455204580 /nfs/dbraw/zinc/20/45/80/455204580.db2.gz DFAXZYMNEWRBFG-HKUYNNGSSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157525782 455204585 /nfs/dbraw/zinc/20/45/85/455204585.db2.gz DFAXZYMNEWRBFG-HKUYNNGSSA-N 2 2 329.488 3.272 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437708 455299444 /nfs/dbraw/zinc/29/94/44/455299444.db2.gz RRGUMZMIBUWHMQ-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437708 455299446 /nfs/dbraw/zinc/29/94/46/455299446.db2.gz RRGUMZMIBUWHMQ-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437708 455299450 /nfs/dbraw/zinc/29/94/50/455299450.db2.gz RRGUMZMIBUWHMQ-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000245437708 455299451 /nfs/dbraw/zinc/29/94/51/455299451.db2.gz RRGUMZMIBUWHMQ-MSOLQXFVSA-N 2 2 343.515 3.018 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445236 455302886 /nfs/dbraw/zinc/30/28/86/455302886.db2.gz KFFCTKLPURTSCF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445236 455302890 /nfs/dbraw/zinc/30/28/90/455302890.db2.gz KFFCTKLPURTSCF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445236 455302891 /nfs/dbraw/zinc/30/28/91/455302891.db2.gz KFFCTKLPURTSCF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000245445236 455302893 /nfs/dbraw/zinc/30/28/93/455302893.db2.gz KFFCTKLPURTSCF-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173597841 455313643 /nfs/dbraw/zinc/31/36/43/455313643.db2.gz AYPKUSAXFGLDQD-JKSUJKDBSA-N 2 2 341.459 3.000 20 0 EGADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173597841 455313649 /nfs/dbraw/zinc/31/36/49/455313649.db2.gz AYPKUSAXFGLDQD-JKSUJKDBSA-N 2 2 341.459 3.000 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000158715558 455324688 /nfs/dbraw/zinc/32/46/88/455324688.db2.gz NADQZIZVIZKVMH-KXBFYZLASA-N 2 2 332.488 3.446 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000158715558 455324692 /nfs/dbraw/zinc/32/46/92/455324692.db2.gz NADQZIZVIZKVMH-KXBFYZLASA-N 2 2 332.488 3.446 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000600996911 460669236 /nfs/dbraw/zinc/66/92/36/460669236.db2.gz MMWNNGXCAMVMST-SJORKVTESA-N 2 2 346.862 3.003 20 0 EGADLP CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245725946 455365704 /nfs/dbraw/zinc/36/57/04/455365704.db2.gz VJATXXFFTBWJNC-RHSMWYFYSA-N 2 2 344.484 3.127 20 0 EGADLP CSc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245725946 455365709 /nfs/dbraw/zinc/36/57/09/455365709.db2.gz VJATXXFFTBWJNC-RHSMWYFYSA-N 2 2 344.484 3.127 20 0 EGADLP Cc1ccccc1-c1nc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000245752470 455372930 /nfs/dbraw/zinc/37/29/30/455372930.db2.gz ZBAPVEDBWDKRFN-RDJZCZTQSA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000245752470 455372934 /nfs/dbraw/zinc/37/29/34/455372934.db2.gz ZBAPVEDBWDKRFN-RDJZCZTQSA-N 2 2 337.427 3.325 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000184371298 455374875 /nfs/dbraw/zinc/37/48/75/455374875.db2.gz CCBGZEHZRVJIQD-HUUCEWRRSA-N 2 2 345.512 3.105 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623483 455415294 /nfs/dbraw/zinc/41/52/94/455415294.db2.gz GRDAGRYEHNFLKA-BEFAXECRSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623483 455415302 /nfs/dbraw/zinc/41/53/02/455415302.db2.gz GRDAGRYEHNFLKA-BEFAXECRSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623483 455415306 /nfs/dbraw/zinc/41/53/06/455415306.db2.gz GRDAGRYEHNFLKA-BEFAXECRSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623483 455415311 /nfs/dbraw/zinc/41/53/11/455415311.db2.gz GRDAGRYEHNFLKA-BEFAXECRSA-N 2 2 344.890 3.442 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ncc(Cl)n1C ZINC000184749727 455441049 /nfs/dbraw/zinc/44/10/49/455441049.db2.gz RLBSUIPCYDUSCM-RTHVDDQRSA-N 2 2 346.906 3.320 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ncc(Cl)n1C ZINC000184749727 455441056 /nfs/dbraw/zinc/44/10/56/455441056.db2.gz RLBSUIPCYDUSCM-RTHVDDQRSA-N 2 2 346.906 3.320 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246274706 455460973 /nfs/dbraw/zinc/46/09/73/455460973.db2.gz AZHWCDWHTMSSOZ-JFIYKMOQSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246274706 455460977 /nfs/dbraw/zinc/46/09/77/455460977.db2.gz AZHWCDWHTMSSOZ-JFIYKMOQSA-N 2 2 347.503 3.002 20 0 EGADLP COC(=O)[C@@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000191580079 455499625 /nfs/dbraw/zinc/49/96/25/455499625.db2.gz CHDVGGDDVVXJPT-NRFANRHFSA-N 2 2 349.434 3.093 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833396 455524011 /nfs/dbraw/zinc/52/40/11/455524011.db2.gz TXRGOSTXUUQPBN-RBUKOAKNSA-N 2 2 346.515 3.213 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833396 455524013 /nfs/dbraw/zinc/52/40/13/455524013.db2.gz TXRGOSTXUUQPBN-RBUKOAKNSA-N 2 2 346.515 3.213 20 0 EGADLP CCCC[C@H](COC)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191831486 455524139 /nfs/dbraw/zinc/52/41/39/455524139.db2.gz KYYGYUWMVZRXSM-UXHICEINSA-N 2 2 334.504 3.072 20 0 EGADLP CCCC[C@H](COC)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191831486 455524145 /nfs/dbraw/zinc/52/41/45/455524145.db2.gz KYYGYUWMVZRXSM-UXHICEINSA-N 2 2 334.504 3.072 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889715 455533217 /nfs/dbraw/zinc/53/32/17/455533217.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246889715 455533218 /nfs/dbraw/zinc/53/32/18/455533218.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246889715 455533219 /nfs/dbraw/zinc/53/32/19/455533219.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246889715 455533221 /nfs/dbraw/zinc/53/32/21/455533221.db2.gz DSUNOAMJWIFKFP-WRJHFWDFSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000182537162 455535241 /nfs/dbraw/zinc/53/52/41/455535241.db2.gz FIPOZRUNKYEESO-MRXNPFEDSA-N 2 2 343.471 3.184 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1nccn1C ZINC000182602657 455550806 /nfs/dbraw/zinc/55/08/06/455550806.db2.gz OOFGENHINNOYGT-MRXNPFEDSA-N 2 2 327.407 3.294 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110031 455560261 /nfs/dbraw/zinc/56/02/61/455560261.db2.gz SZYAFEFTXKDPKB-SBHAEUEKSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110031 455560266 /nfs/dbraw/zinc/56/02/66/455560266.db2.gz SZYAFEFTXKDPKB-SBHAEUEKSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110031 455560270 /nfs/dbraw/zinc/56/02/70/455560270.db2.gz SZYAFEFTXKDPKB-SBHAEUEKSA-N 3 2 344.547 3.002 20 0 EGADLP CC(C)[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247110031 455560275 /nfs/dbraw/zinc/56/02/75/455560275.db2.gz SZYAFEFTXKDPKB-SBHAEUEKSA-N 3 2 344.547 3.002 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000247132595 455564106 /nfs/dbraw/zinc/56/41/06/455564106.db2.gz QPAQFVWKWVKQFD-SJLPKXTDSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000247132595 455564111 /nfs/dbraw/zinc/56/41/11/455564111.db2.gz QPAQFVWKWVKQFD-SJLPKXTDSA-N 2 2 347.478 3.411 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000247137354 455565014 /nfs/dbraw/zinc/56/50/14/455565014.db2.gz SBQYMYXLYIDBSF-OXJNMPFZSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000247137354 455565018 /nfs/dbraw/zinc/56/50/18/455565018.db2.gz SBQYMYXLYIDBSF-OXJNMPFZSA-N 2 2 343.446 3.100 20 0 EGADLP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000267995896 455576369 /nfs/dbraw/zinc/57/63/69/455576369.db2.gz AIVZSHSVRDONQX-CTWPCTMYSA-N 2 2 340.471 3.268 20 0 EGADLP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000267995896 455576374 /nfs/dbraw/zinc/57/63/74/455576374.db2.gz AIVZSHSVRDONQX-CTWPCTMYSA-N 2 2 340.471 3.268 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)c1nc[nH+]c(N)c1Cl ZINC000192338483 455592740 /nfs/dbraw/zinc/59/27/40/455592740.db2.gz KIFZSGWJBBNVGH-UHFFFAOYSA-N 2 2 339.896 3.122 20 0 EGADLP Fc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355277 455596393 /nfs/dbraw/zinc/59/63/93/455596393.db2.gz XGKUBSXKBYARAA-FQEVSTJZSA-N 2 2 328.431 3.206 20 0 EGADLP Fc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355277 455596398 /nfs/dbraw/zinc/59/63/98/455596398.db2.gz XGKUBSXKBYARAA-FQEVSTJZSA-N 2 2 328.431 3.206 20 0 EGADLP c1c[nH]c([C@@H]2CCC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000283898569 455609128 /nfs/dbraw/zinc/60/91/28/455609128.db2.gz BIKGJWFLUYUKKB-CTNGQTDRSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@@H]2CCC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000283898569 455609130 /nfs/dbraw/zinc/60/91/30/455609130.db2.gz BIKGJWFLUYUKKB-CTNGQTDRSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283898569 455609134 /nfs/dbraw/zinc/60/91/34/455609134.db2.gz BIKGJWFLUYUKKB-CTNGQTDRSA-N 2 2 339.483 3.443 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)c1 ZINC000283898569 455609137 /nfs/dbraw/zinc/60/91/37/455609137.db2.gz BIKGJWFLUYUKKB-CTNGQTDRSA-N 2 2 339.483 3.443 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000635116409 460681324 /nfs/dbraw/zinc/68/13/24/460681324.db2.gz GOIJDYSXQWHSKK-INIZCTEOSA-N 2 2 348.878 3.079 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755989 455615910 /nfs/dbraw/zinc/61/59/10/455615910.db2.gz TWDQVORGSCYPOO-KGLIPLIRSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755989 455615924 /nfs/dbraw/zinc/61/59/24/455615924.db2.gz TWDQVORGSCYPOO-KGLIPLIRSA-N 2 2 330.432 3.072 20 0 EGADLP COC(=O)C1CCC([NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000192442567 455617215 /nfs/dbraw/zinc/61/72/15/455617215.db2.gz ALHXEELAHPSVMU-FAEJEUNOSA-N 2 2 332.488 3.437 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000192448152 455618964 /nfs/dbraw/zinc/61/89/64/455618964.db2.gz OKBZZUSGXUEZBA-MHJFOBGBSA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000192448152 455618970 /nfs/dbraw/zinc/61/89/70/455618970.db2.gz OKBZZUSGXUEZBA-MHJFOBGBSA-N 2 2 344.499 3.218 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993251 455620529 /nfs/dbraw/zinc/62/05/29/455620529.db2.gz HLBJOGQFJJCMSE-MSOLQXFVSA-N 2 2 345.487 3.114 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000283993251 455620533 /nfs/dbraw/zinc/62/05/33/455620533.db2.gz HLBJOGQFJJCMSE-MSOLQXFVSA-N 2 2 345.487 3.114 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000271410405 455626044 /nfs/dbraw/zinc/62/60/44/455626044.db2.gz XOSLOAPKTBRATK-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000271410405 455626049 /nfs/dbraw/zinc/62/60/49/455626049.db2.gz XOSLOAPKTBRATK-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000271410405 455626055 /nfs/dbraw/zinc/62/60/55/455626055.db2.gz XOSLOAPKTBRATK-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000271410405 455626056 /nfs/dbraw/zinc/62/60/56/455626056.db2.gz XOSLOAPKTBRATK-CJNGLKHVSA-N 2 2 332.879 3.143 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000284147636 455642417 /nfs/dbraw/zinc/64/24/17/455642417.db2.gz ZDQXHZXDPOXTNT-NSHDSACASA-N 2 2 332.341 3.298 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000284147636 455642420 /nfs/dbraw/zinc/64/24/20/455642420.db2.gz ZDQXHZXDPOXTNT-NSHDSACASA-N 2 2 332.341 3.298 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000247891860 455652340 /nfs/dbraw/zinc/65/23/40/455652340.db2.gz FMGZIKBXCHMYEK-TZMCWYRMSA-N 2 2 330.394 3.111 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)C1 ZINC000247891860 455652345 /nfs/dbraw/zinc/65/23/45/455652345.db2.gz FMGZIKBXCHMYEK-TZMCWYRMSA-N 2 2 330.394 3.111 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000192627140 455656068 /nfs/dbraw/zinc/65/60/68/455656068.db2.gz CPMINOXSDOIMNR-MRXNPFEDSA-N 2 2 346.471 3.359 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247973588 455663171 /nfs/dbraw/zinc/66/31/71/455663171.db2.gz HNYGBNGLKWSOFF-NXHRZFHOSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247973588 455663176 /nfs/dbraw/zinc/66/31/76/455663176.db2.gz HNYGBNGLKWSOFF-NXHRZFHOSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247973588 455663180 /nfs/dbraw/zinc/66/31/80/455663180.db2.gz HNYGBNGLKWSOFF-NXHRZFHOSA-N 2 2 340.471 3.138 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247973588 455663186 /nfs/dbraw/zinc/66/31/86/455663186.db2.gz HNYGBNGLKWSOFF-NXHRZFHOSA-N 2 2 340.471 3.138 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000248174490 455693909 /nfs/dbraw/zinc/69/39/09/455693909.db2.gz VJWDIERLHUGJEG-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000248174490 455693912 /nfs/dbraw/zinc/69/39/12/455693912.db2.gz VJWDIERLHUGJEG-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000248174490 455693916 /nfs/dbraw/zinc/69/39/16/455693916.db2.gz VJWDIERLHUGJEG-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000248174490 455693919 /nfs/dbraw/zinc/69/39/19/455693919.db2.gz VJWDIERLHUGJEG-SCTDSRPQSA-N 2 2 329.488 3.047 20 0 EGADLP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186113402 455695563 /nfs/dbraw/zinc/69/55/63/455695563.db2.gz BTMAIJCBNWEIRN-AWEZNQCLSA-N 2 2 331.485 3.467 20 0 EGADLP COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000268899385 455723205 /nfs/dbraw/zinc/72/32/05/455723205.db2.gz KUMOQZGLIFOIRB-QRWLVFNGSA-N 2 2 337.423 3.265 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC000268919430 455730728 /nfs/dbraw/zinc/73/07/28/455730728.db2.gz JRHCVBKQMKJFQN-HNAYVOBHSA-N 3 2 344.528 3.269 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000248886095 455737451 /nfs/dbraw/zinc/73/74/51/455737451.db2.gz XWILETVJRLXYSB-PKOBYXMFSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)CCO1 ZINC000248886095 455737461 /nfs/dbraw/zinc/73/74/61/455737461.db2.gz XWILETVJRLXYSB-PKOBYXMFSA-N 2 2 336.520 3.053 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)ccc1F ZINC000268960966 455745695 /nfs/dbraw/zinc/74/56/95/455745695.db2.gz YROZBGPZRPUEOW-CQSZACIVSA-N 2 2 341.390 3.287 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)ccc1F ZINC000268960966 455745696 /nfs/dbraw/zinc/74/56/96/455745696.db2.gz YROZBGPZRPUEOW-CQSZACIVSA-N 2 2 341.390 3.287 20 0 EGADLP C[C@]12CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@H]1C2(Cl)Cl ZINC000284811428 455746507 /nfs/dbraw/zinc/74/65/07/455746507.db2.gz PHDSVWBFEBAEFI-HIFRSBDPSA-N 2 2 337.254 3.283 20 0 EGADLP C[C@]12CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@H]1C2(Cl)Cl ZINC000284811428 455746511 /nfs/dbraw/zinc/74/65/11/455746511.db2.gz PHDSVWBFEBAEFI-HIFRSBDPSA-N 2 2 337.254 3.283 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)[nH]1 ZINC000271758338 455749817 /nfs/dbraw/zinc/74/98/17/455749817.db2.gz XWCKSPJCMPHJME-ZDUSSCGKSA-N 2 2 327.457 3.376 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)[nH]1 ZINC000271758338 455749822 /nfs/dbraw/zinc/74/98/22/455749822.db2.gz XWCKSPJCMPHJME-ZDUSSCGKSA-N 2 2 327.457 3.376 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000268993600 455756891 /nfs/dbraw/zinc/75/68/91/455756891.db2.gz NAOYRNMXZAWKSD-NNWRFLSQSA-N 2 2 336.479 3.147 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000268993600 455756894 /nfs/dbraw/zinc/75/68/94/455756894.db2.gz NAOYRNMXZAWKSD-NNWRFLSQSA-N 2 2 336.479 3.147 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@H]2CCCO[C@H]21 ZINC000271822175 455774768 /nfs/dbraw/zinc/77/47/68/455774768.db2.gz CJVSQEGMRMDTTN-GUDVDZBRSA-N 2 2 325.456 3.225 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@@H]2CCCO[C@H]21 ZINC000271822178 455775078 /nfs/dbraw/zinc/77/50/78/455775078.db2.gz CJVSQEGMRMDTTN-IPMKNSEASA-N 2 2 325.456 3.225 20 0 EGADLP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000249803880 455776534 /nfs/dbraw/zinc/77/65/34/455776534.db2.gz AXJQOQOZABBCFT-HUUCEWRRSA-N 2 2 329.448 3.391 20 0 EGADLP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3nc(C(C)C)no3)C2)[nH+]1 ZINC000249803880 455776539 /nfs/dbraw/zinc/77/65/39/455776539.db2.gz AXJQOQOZABBCFT-HUUCEWRRSA-N 2 2 329.448 3.391 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000278202324 455785495 /nfs/dbraw/zinc/78/54/95/455785495.db2.gz GTCDGAQENFBNCG-CQSZACIVSA-N 2 2 339.395 3.162 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)Cc2ccccc2)CC1 ZINC000271851964 455787204 /nfs/dbraw/zinc/78/72/04/455787204.db2.gz WJFIHLCRAUWGKY-UHFFFAOYSA-N 2 2 346.515 3.263 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@@H+]1C ZINC000186570038 455795309 /nfs/dbraw/zinc/79/53/09/455795309.db2.gz GAQWAEWRBQVARI-XKQJLSEDSA-N 2 2 343.437 3.380 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@H+]1C ZINC000186570038 455795311 /nfs/dbraw/zinc/79/53/11/455795311.db2.gz GAQWAEWRBQVARI-XKQJLSEDSA-N 2 2 343.437 3.380 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135533 455795767 /nfs/dbraw/zinc/79/57/67/455795767.db2.gz RAFIDRAEDVSFEN-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135533 455795773 /nfs/dbraw/zinc/79/57/73/455795773.db2.gz RAFIDRAEDVSFEN-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135533 455795779 /nfs/dbraw/zinc/79/57/79/455795779.db2.gz RAFIDRAEDVSFEN-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000269135533 455795783 /nfs/dbraw/zinc/79/57/83/455795783.db2.gz RAFIDRAEDVSFEN-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000186611993 455804988 /nfs/dbraw/zinc/80/49/88/455804988.db2.gz XENKVKNJKHHAHS-UHFFFAOYSA-N 2 2 339.483 3.063 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000272027834 455825201 /nfs/dbraw/zinc/82/52/01/455825201.db2.gz WBIFAXRYLAMTIS-UHFFFAOYSA-N 2 2 337.471 3.080 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272161152 455863905 /nfs/dbraw/zinc/86/39/05/455863905.db2.gz FSVQXXIFKQMEFU-HOCLYGCPSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@H]([NH2+]Cc1nccn1C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272161152 455863907 /nfs/dbraw/zinc/86/39/07/455863907.db2.gz FSVQXXIFKQMEFU-HOCLYGCPSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)nc1 ZINC000272200374 455875128 /nfs/dbraw/zinc/87/51/28/455875128.db2.gz IXGWDJUOKGOHCL-CJNGLKHVSA-N 2 2 345.878 3.443 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000270092779 455875858 /nfs/dbraw/zinc/87/58/58/455875858.db2.gz XPMRZSORWCQFFF-AWEZNQCLSA-N 2 2 332.411 3.285 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724018 455904588 /nfs/dbraw/zinc/90/45/88/455904588.db2.gz QINAAAFRTAZDIN-HKUYNNGSSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724018 455904594 /nfs/dbraw/zinc/90/45/94/455904594.db2.gz QINAAAFRTAZDIN-HKUYNNGSSA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+](CCCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)Cc1ccccc1 ZINC000194967689 455906662 /nfs/dbraw/zinc/90/66/62/455906662.db2.gz SBORMOIDKPLHIU-LJQANCHMSA-N 2 2 335.455 3.006 20 0 EGADLP C[N@@H+](CCCN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)Cc1ccccc1 ZINC000194967689 455906668 /nfs/dbraw/zinc/90/66/68/455906668.db2.gz SBORMOIDKPLHIU-LJQANCHMSA-N 2 2 335.455 3.006 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)c1ccco1 ZINC000195011286 455912510 /nfs/dbraw/zinc/91/25/10/455912510.db2.gz ZPFLVGUCDBWFPU-SJLPKXTDSA-N 2 2 339.443 3.160 20 0 EGADLP CCCOc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC ZINC000261645608 455921403 /nfs/dbraw/zinc/92/14/03/455921403.db2.gz GSZSFBPUCVIKBM-RBUKOAKNSA-N 2 2 340.467 3.411 20 0 EGADLP CCCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC ZINC000261645608 455921404 /nfs/dbraw/zinc/92/14/04/455921404.db2.gz GSZSFBPUCVIKBM-RBUKOAKNSA-N 2 2 340.467 3.411 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337344 455931853 /nfs/dbraw/zinc/93/18/53/455931853.db2.gz PFYWYWRTEMRBOQ-GUYCJALGSA-N 2 2 343.298 3.445 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1Cl ZINC000270337344 455931858 /nfs/dbraw/zinc/93/18/58/455931858.db2.gz PFYWYWRTEMRBOQ-GUYCJALGSA-N 2 2 343.298 3.445 20 0 EGADLP Cc1ccnc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000285988179 455955465 /nfs/dbraw/zinc/95/54/65/455955465.db2.gz GWBXEQDVUFSONM-INIZCTEOSA-N 2 2 339.487 3.489 20 0 EGADLP CC[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1(C(=O)OC)CCC1 ZINC000272478965 455964351 /nfs/dbraw/zinc/96/43/51/455964351.db2.gz JBCBKAXFOMCNTM-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP COC[C@H]([NH2+]C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000187900208 455966723 /nfs/dbraw/zinc/96/67/23/455966723.db2.gz YKIJZTVYGXIECH-SFTDATJTSA-N 2 2 346.515 3.163 20 0 EGADLP COCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccco1 ZINC000272515940 455978063 /nfs/dbraw/zinc/97/80/63/455978063.db2.gz HDGZNCNMVHVHEW-CQSZACIVSA-N 2 2 334.382 3.364 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272519404 455979276 /nfs/dbraw/zinc/97/92/76/455979276.db2.gz PSYDDAHGQSICDP-RHSMWYFYSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272519404 455979280 /nfs/dbraw/zinc/97/92/80/455979280.db2.gz PSYDDAHGQSICDP-RHSMWYFYSA-N 2 2 346.906 3.382 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261998109 455983299 /nfs/dbraw/zinc/98/32/99/455983299.db2.gz KZRFHPBGPKWJQS-HNNXBMFYSA-N 2 2 341.318 3.356 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261998109 455983304 /nfs/dbraw/zinc/98/33/04/455983304.db2.gz KZRFHPBGPKWJQS-HNNXBMFYSA-N 2 2 341.318 3.356 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1OC ZINC000270581119 455988957 /nfs/dbraw/zinc/98/89/57/455988957.db2.gz INZFQBHLBYLZEE-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1OC ZINC000270581119 455988959 /nfs/dbraw/zinc/98/89/59/455988959.db2.gz INZFQBHLBYLZEE-UHFFFAOYSA-N 2 2 336.476 3.020 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ncc(Br)cc1F ZINC000296636518 455996505 /nfs/dbraw/zinc/99/65/05/455996505.db2.gz XSLVOWXPKJCQNH-NSNUZPRRSA-N 2 2 342.256 3.259 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ncc(Br)cc1F ZINC000296636518 455996511 /nfs/dbraw/zinc/99/65/11/455996511.db2.gz XSLVOWXPKJCQNH-NSNUZPRRSA-N 2 2 342.256 3.259 20 0 EGADLP Cc1cc(NC(=O)NCCCCNc2cccc[nH+]2)cn2cc[nH+]c12 ZINC000296817845 456044514 /nfs/dbraw/zinc/04/45/14/456044514.db2.gz IKTKTKNZAPDUES-UHFFFAOYSA-N 2 2 338.415 3.052 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827737 456083175 /nfs/dbraw/zinc/08/31/75/456083175.db2.gz PLZLDABCPPSWFH-RYRKJORJSA-N 2 2 341.503 3.489 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827737 456083182 /nfs/dbraw/zinc/08/31/82/456083182.db2.gz PLZLDABCPPSWFH-RYRKJORJSA-N 2 2 341.503 3.489 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297147788 456132674 /nfs/dbraw/zinc/13/26/74/456132674.db2.gz ZURPAXJLBCCBTJ-COXVUDFISA-N 2 2 348.853 3.403 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297147788 456132680 /nfs/dbraw/zinc/13/26/80/456132680.db2.gz ZURPAXJLBCCBTJ-COXVUDFISA-N 2 2 348.853 3.403 20 0 EGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(Br)cn1 ZINC000230729752 456140858 /nfs/dbraw/zinc/14/08/58/456140858.db2.gz LTFOZLABHYQDJT-UHFFFAOYSA-N 2 2 328.298 3.398 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(Br)cn1 ZINC000230729752 456140861 /nfs/dbraw/zinc/14/08/61/456140861.db2.gz LTFOZLABHYQDJT-UHFFFAOYSA-N 2 2 328.298 3.398 20 0 EGADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301545867 456143344 /nfs/dbraw/zinc/14/33/44/456143344.db2.gz UCLFLVMDVRKXJE-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301545867 456143348 /nfs/dbraw/zinc/14/33/48/456143348.db2.gz UCLFLVMDVRKXJE-AWEZNQCLSA-N 2 2 332.879 3.326 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000289884553 456169231 /nfs/dbraw/zinc/16/92/31/456169231.db2.gz WTQXOHDBHCVPAA-HNNXBMFYSA-N 2 2 347.894 3.145 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000289884553 456169237 /nfs/dbraw/zinc/16/92/37/456169237.db2.gz WTQXOHDBHCVPAA-HNNXBMFYSA-N 2 2 347.894 3.145 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000188939812 456177271 /nfs/dbraw/zinc/17/72/71/456177271.db2.gz OENRBNZUJPCTAC-VLCRHTCISA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000188939812 456177279 /nfs/dbraw/zinc/17/72/79/456177279.db2.gz OENRBNZUJPCTAC-VLCRHTCISA-N 2 2 338.495 3.324 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000271217694 456179247 /nfs/dbraw/zinc/17/92/47/456179247.db2.gz JDPRJHJARFAQAL-INIZCTEOSA-N 2 2 336.426 3.344 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000271217694 456179253 /nfs/dbraw/zinc/17/92/53/456179253.db2.gz JDPRJHJARFAQAL-INIZCTEOSA-N 2 2 336.426 3.344 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1O ZINC000289929900 456184704 /nfs/dbraw/zinc/18/47/04/456184704.db2.gz VPPVHUQNQAZXTD-HNNXBMFYSA-N 2 2 341.455 3.111 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306743 456196289 /nfs/dbraw/zinc/19/62/89/456196289.db2.gz NEWZLPZHRDQOIF-HOTGVXAUSA-N 2 2 332.492 3.159 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306743 456196294 /nfs/dbraw/zinc/19/62/94/456196294.db2.gz NEWZLPZHRDQOIF-HOTGVXAUSA-N 2 2 332.492 3.159 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)CCc2ccccc2)n1-c1ccccc1 ZINC000273188483 456206584 /nfs/dbraw/zinc/20/65/84/456206584.db2.gz YWNYMKYMRVRHIG-OAQYLSRUSA-N 2 2 335.451 3.264 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000237080999 456228931 /nfs/dbraw/zinc/22/89/31/456228931.db2.gz UDDLIOOEIMMYMG-GOSISDBHSA-N 2 2 345.874 3.498 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000237080999 456228936 /nfs/dbraw/zinc/22/89/36/456228936.db2.gz UDDLIOOEIMMYMG-GOSISDBHSA-N 2 2 345.874 3.498 20 0 EGADLP C[C@H](O)c1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085652 456236576 /nfs/dbraw/zinc/23/65/76/456236576.db2.gz QYMZZZWDQVMYFT-RDJZCZTQSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@H](O)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085652 456236581 /nfs/dbraw/zinc/23/65/81/456236581.db2.gz QYMZZZWDQVMYFT-RDJZCZTQSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@H](O)c1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085652 456236586 /nfs/dbraw/zinc/23/65/86/456236586.db2.gz QYMZZZWDQVMYFT-RDJZCZTQSA-N 2 2 345.512 3.150 20 0 EGADLP C[C@H](O)c1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085652 456236589 /nfs/dbraw/zinc/23/65/89/456236589.db2.gz QYMZZZWDQVMYFT-RDJZCZTQSA-N 2 2 345.512 3.150 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000290084169 456236654 /nfs/dbraw/zinc/23/66/54/456236654.db2.gz GQYRZTKADGXAMC-RDJZCZTQSA-N 2 2 333.476 3.310 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000290084169 456236657 /nfs/dbraw/zinc/23/66/57/456236657.db2.gz GQYRZTKADGXAMC-RDJZCZTQSA-N 2 2 333.476 3.310 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3CCC[N@@H+](C(C)C)C3)c2c1 ZINC000301916097 456251175 /nfs/dbraw/zinc/25/11/75/456251175.db2.gz DMJQNYBZWNDWCL-HNNXBMFYSA-N 2 2 328.460 3.479 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3CCC[N@H+](C(C)C)C3)c2c1 ZINC000301916097 456251179 /nfs/dbraw/zinc/25/11/79/456251179.db2.gz DMJQNYBZWNDWCL-HNNXBMFYSA-N 2 2 328.460 3.479 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2[nH+]1 ZINC000620651092 460721823 /nfs/dbraw/zinc/72/18/23/460721823.db2.gz JKSQCONTHIBQNQ-QGZVFWFLSA-N 2 2 326.444 3.378 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2[nH+]1 ZINC000620651092 460721827 /nfs/dbraw/zinc/72/18/27/460721827.db2.gz JKSQCONTHIBQNQ-QGZVFWFLSA-N 2 2 326.444 3.378 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000263904380 456260794 /nfs/dbraw/zinc/26/07/94/456260794.db2.gz GDZRDEVOVGENOC-QZTJIDSGSA-N 2 2 345.512 3.160 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000263904380 456260798 /nfs/dbraw/zinc/26/07/98/456260798.db2.gz GDZRDEVOVGENOC-QZTJIDSGSA-N 2 2 345.512 3.160 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000290202221 456266541 /nfs/dbraw/zinc/26/65/41/456266541.db2.gz DDQBTOBJOOKNRL-UHFFFAOYSA-N 2 2 331.504 3.387 20 0 EGADLP Cc1ccc2[nH+]cc(CN[C@H](C[NH+](C)C)c3ccc(F)cc3)n2c1 ZINC000290212200 456268375 /nfs/dbraw/zinc/26/83/75/456268375.db2.gz WBCYTRZRGRZQBP-GOSISDBHSA-N 2 2 326.419 3.174 20 0 EGADLP CCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000347681369 456302345 /nfs/dbraw/zinc/30/23/45/456302345.db2.gz WLGWMNXAEQBIPD-UHFFFAOYSA-N 2 2 339.487 3.188 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1OC ZINC000336789529 456307657 /nfs/dbraw/zinc/30/76/57/456307657.db2.gz JHZZXZPBRLUSPE-VQIMIIECSA-N 2 2 340.467 3.456 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1OC ZINC000336789529 456307662 /nfs/dbraw/zinc/30/76/62/456307662.db2.gz JHZZXZPBRLUSPE-VQIMIIECSA-N 2 2 340.467 3.456 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2cccs2)n1 ZINC000342924185 456317037 /nfs/dbraw/zinc/31/70/37/456317037.db2.gz DDQPDJMNICAOIS-MRXNPFEDSA-N 2 2 340.452 3.197 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2cccs2)n1 ZINC000342924185 456317044 /nfs/dbraw/zinc/31/70/44/456317044.db2.gz DDQPDJMNICAOIS-MRXNPFEDSA-N 2 2 340.452 3.197 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000275872445 456338340 /nfs/dbraw/zinc/33/83/40/456338340.db2.gz OGEAPBDJOKLQMS-JXFKEZNVSA-N 2 2 331.504 3.402 20 0 EGADLP COc1cccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000340254392 456343124 /nfs/dbraw/zinc/34/31/24/456343124.db2.gz HLVGVOANMKSGHF-FXAWDEMLSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000340254392 456343128 /nfs/dbraw/zinc/34/31/28/456343128.db2.gz HLVGVOANMKSGHF-FXAWDEMLSA-N 2 2 339.483 3.275 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000352829933 456345026 /nfs/dbraw/zinc/34/50/26/456345026.db2.gz ITVATKBGLQKVNG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000352829933 456345033 /nfs/dbraw/zinc/34/50/33/456345033.db2.gz ITVATKBGLQKVNG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829933 456345037 /nfs/dbraw/zinc/34/50/37/456345037.db2.gz ITVATKBGLQKVNG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000352829933 456345041 /nfs/dbraw/zinc/34/50/41/456345041.db2.gz ITVATKBGLQKVNG-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340275513 456356858 /nfs/dbraw/zinc/35/68/58/456356858.db2.gz SVPVMRBKYHSUIA-JXFKEZNVSA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340275513 456356863 /nfs/dbraw/zinc/35/68/63/456356863.db2.gz SVPVMRBKYHSUIA-JXFKEZNVSA-N 2 2 326.488 3.125 20 0 EGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Br)c1 ZINC000290581973 456372580 /nfs/dbraw/zinc/37/25/80/456372580.db2.gz UQZURXPHKIGNNW-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(Br)c1 ZINC000290581973 456372585 /nfs/dbraw/zinc/37/25/85/456372585.db2.gz UQZURXPHKIGNNW-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581973 456372587 /nfs/dbraw/zinc/37/25/87/456372587.db2.gz UQZURXPHKIGNNW-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000290581973 456372590 /nfs/dbraw/zinc/37/25/90/456372590.db2.gz UQZURXPHKIGNNW-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP FC(F)O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000337558933 456380653 /nfs/dbraw/zinc/38/06/53/456380653.db2.gz UBASNUKKSLOPTD-IRXDYDNUSA-N 2 2 339.430 3.186 20 0 EGADLP CC[N@@H+](Cc1ccc(F)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000276191440 456408888 /nfs/dbraw/zinc/40/88/88/456408888.db2.gz IHAMUWIQMYBZBI-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP CC[N@H+](Cc1ccc(F)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000276191440 456408892 /nfs/dbraw/zinc/40/88/92/456408892.db2.gz IHAMUWIQMYBZBI-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(c3cc(N4CCCC4)[nH+]cn3)C2)CC1 ZINC000302887931 456428206 /nfs/dbraw/zinc/42/82/06/456428206.db2.gz MHKVYUPYPSRKGH-GOSISDBHSA-N 2 2 343.519 3.025 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(c3cc(N4CCCC4)nc[nH+]3)C2)CC1 ZINC000302887931 456428210 /nfs/dbraw/zinc/42/82/10/456428210.db2.gz MHKVYUPYPSRKGH-GOSISDBHSA-N 2 2 343.519 3.025 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000353000231 456438806 /nfs/dbraw/zinc/43/88/06/456438806.db2.gz QTGWJDWYCKGEBN-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000353000231 456438807 /nfs/dbraw/zinc/43/88/07/456438807.db2.gz QTGWJDWYCKGEBN-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000353000231 456438813 /nfs/dbraw/zinc/43/88/13/456438813.db2.gz QTGWJDWYCKGEBN-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OC ZINC000353000231 456438815 /nfs/dbraw/zinc/43/88/15/456438815.db2.gz QTGWJDWYCKGEBN-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000298377843 456440169 /nfs/dbraw/zinc/44/01/69/456440169.db2.gz BONBESQYPCSIRK-UHFFFAOYSA-N 2 2 327.472 3.481 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000298377843 456440180 /nfs/dbraw/zinc/44/01/80/456440180.db2.gz BONBESQYPCSIRK-UHFFFAOYSA-N 2 2 327.472 3.481 20 0 EGADLP c1[nH]c2nccnc2c1C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000290915356 456465566 /nfs/dbraw/zinc/46/55/66/456465566.db2.gz PXIMDCCYQFXBNO-GOSISDBHSA-N 2 2 335.455 3.102 20 0 EGADLP c1[nH]c2nccnc2c1C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000290915356 456465570 /nfs/dbraw/zinc/46/55/70/456465570.db2.gz PXIMDCCYQFXBNO-GOSISDBHSA-N 2 2 335.455 3.102 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)no1 ZINC000298507368 456476250 /nfs/dbraw/zinc/47/62/50/456476250.db2.gz QRMKTRITJSSYQS-MRXNPFEDSA-N 2 2 343.471 3.485 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)no1 ZINC000298507368 456476256 /nfs/dbraw/zinc/47/62/56/456476256.db2.gz QRMKTRITJSSYQS-MRXNPFEDSA-N 2 2 343.471 3.485 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340519838 456507061 /nfs/dbraw/zinc/50/70/61/456507061.db2.gz NMTWIONKEVKAKQ-TXPKVOOTSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340519838 456507066 /nfs/dbraw/zinc/50/70/66/456507066.db2.gz NMTWIONKEVKAKQ-TXPKVOOTSA-N 2 2 325.456 3.404 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ncnn1C(C)(C)C ZINC000282636210 456576955 /nfs/dbraw/zinc/57/69/55/456576955.db2.gz JZZMADSLIJZHMD-UHFFFAOYSA-N 2 2 343.519 3.281 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ncnn1C(C)(C)C ZINC000282636210 456576960 /nfs/dbraw/zinc/57/69/60/456576960.db2.gz JZZMADSLIJZHMD-UHFFFAOYSA-N 2 2 343.519 3.281 20 0 EGADLP C[C@H](CC[NH2+]Cc1cn(C)nc1C(F)F)[N@H+](C)Cc1ccccc1 ZINC000291265281 456584416 /nfs/dbraw/zinc/58/44/16/456584416.db2.gz SQAUQCXRJGKEQT-CQSZACIVSA-N 2 2 336.430 3.358 20 0 EGADLP C[C@H](CC[NH2+]Cc1cn(C)nc1C(F)F)[N@@H+](C)Cc1ccccc1 ZINC000291265281 456584423 /nfs/dbraw/zinc/58/44/23/456584423.db2.gz SQAUQCXRJGKEQT-CQSZACIVSA-N 2 2 336.430 3.358 20 0 EGADLP CC(C)Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904284 456593808 /nfs/dbraw/zinc/59/38/08/456593808.db2.gz TVGUMDKMFVUUGG-WOJBJXKFSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904284 456593817 /nfs/dbraw/zinc/59/38/17/456593817.db2.gz TVGUMDKMFVUUGG-WOJBJXKFSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904284 456593822 /nfs/dbraw/zinc/59/38/22/456593822.db2.gz TVGUMDKMFVUUGG-WOJBJXKFSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904284 456593826 /nfs/dbraw/zinc/59/38/26/456593826.db2.gz TVGUMDKMFVUUGG-WOJBJXKFSA-N 2 2 341.503 3.059 20 0 EGADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343399523 456594014 /nfs/dbraw/zinc/59/40/14/456594014.db2.gz PTKMRPSRIRVCIW-RDTXWAMCSA-N 2 2 347.532 3.002 20 0 EGADLP CCCc1csc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343399523 456594017 /nfs/dbraw/zinc/59/40/17/456594017.db2.gz PTKMRPSRIRVCIW-RDTXWAMCSA-N 2 2 347.532 3.002 20 0 EGADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000337997227 456644643 /nfs/dbraw/zinc/64/46/43/456644643.db2.gz LQRKLXRBVYOIBE-QUCCMNQESA-N 3 2 348.510 3.102 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000338204109 456704083 /nfs/dbraw/zinc/70/40/83/456704083.db2.gz ISYQISOCYLJBFG-SFHVURJKSA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000338204109 456704088 /nfs/dbraw/zinc/70/40/88/456704088.db2.gz ISYQISOCYLJBFG-SFHVURJKSA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)[C@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000338204104 456704150 /nfs/dbraw/zinc/70/41/50/456704150.db2.gz ISYQISOCYLJBFG-GOSISDBHSA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)[C@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000338204104 456704159 /nfs/dbraw/zinc/70/41/59/456704159.db2.gz ISYQISOCYLJBFG-GOSISDBHSA-N 2 2 339.439 3.286 20 0 EGADLP CC(C)CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496152 456715129 /nfs/dbraw/zinc/71/51/29/456715129.db2.gz LECUXBIEWDKPET-RBUKOAKNSA-N 2 2 349.519 3.289 20 0 EGADLP CC(C)CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496152 456715133 /nfs/dbraw/zinc/71/51/33/456715133.db2.gz LECUXBIEWDKPET-RBUKOAKNSA-N 2 2 349.519 3.289 20 0 EGADLP CCC[N@H+](CC)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338225105 456717183 /nfs/dbraw/zinc/71/71/83/456717183.db2.gz BIELHHLHIRJDNP-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP CCC[N@@H+](CC)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338225105 456717193 /nfs/dbraw/zinc/71/71/93/456717193.db2.gz BIELHHLHIRJDNP-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP Cc1cc(Cl)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000353520668 456732127 /nfs/dbraw/zinc/73/21/27/456732127.db2.gz OMRQIBRTNOUWSA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000353520668 456732133 /nfs/dbraw/zinc/73/21/33/456732133.db2.gz OMRQIBRTNOUWSA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000353520668 456732138 /nfs/dbraw/zinc/73/21/38/456732138.db2.gz OMRQIBRTNOUWSA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1cc(Cl)cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000353520668 456732145 /nfs/dbraw/zinc/73/21/45/456732145.db2.gz OMRQIBRTNOUWSA-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000283201975 456735703 /nfs/dbraw/zinc/73/57/03/456735703.db2.gz LIOZYBWPEVWREC-IYWMVGAKSA-N 2 2 342.483 3.385 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000283201975 456735709 /nfs/dbraw/zinc/73/57/09/456735709.db2.gz LIOZYBWPEVWREC-IYWMVGAKSA-N 2 2 342.483 3.385 20 0 EGADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)[NH+]1CCCCCC1 ZINC000338259668 456738303 /nfs/dbraw/zinc/73/83/03/456738303.db2.gz XVGLYIBBQFQQRP-YJBOKZPZSA-N 2 2 349.906 3.077 20 0 EGADLP CN(CC1CCCCC1)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353539753 456744128 /nfs/dbraw/zinc/74/41/28/456744128.db2.gz AEOHKCQBCCBDRD-UHFFFAOYSA-N 2 2 349.519 3.072 20 0 EGADLP CN(CC1CCCCC1)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353539753 456744135 /nfs/dbraw/zinc/74/41/35/456744135.db2.gz AEOHKCQBCCBDRD-UHFFFAOYSA-N 2 2 349.519 3.072 20 0 EGADLP CN(CC1CCCCC1)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353539753 456744143 /nfs/dbraw/zinc/74/41/43/456744143.db2.gz AEOHKCQBCCBDRD-UHFFFAOYSA-N 2 2 349.519 3.072 20 0 EGADLP CN(CC1CCCCC1)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353539753 456744150 /nfs/dbraw/zinc/74/41/50/456744150.db2.gz AEOHKCQBCCBDRD-UHFFFAOYSA-N 2 2 349.519 3.072 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000329039489 456819898 /nfs/dbraw/zinc/81/98/98/456819898.db2.gz DBWRJIBVVSZJSJ-ZIAGYGMSSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000329039489 456819899 /nfs/dbraw/zinc/81/98/99/456819899.db2.gz DBWRJIBVVSZJSJ-ZIAGYGMSSA-N 2 2 327.428 3.121 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000301231167 456827935 /nfs/dbraw/zinc/82/79/35/456827935.db2.gz IYSSFJSNPBOKMV-IYBDPMFKSA-N 2 2 326.444 3.006 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000301231167 456827940 /nfs/dbraw/zinc/82/79/40/456827940.db2.gz IYSSFJSNPBOKMV-IYBDPMFKSA-N 2 2 326.444 3.006 20 0 EGADLP CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccnc1 ZINC000341315110 456842960 /nfs/dbraw/zinc/84/29/60/456842960.db2.gz QRWXHYDUVHFHKC-NRFANRHFSA-N 2 2 338.499 3.470 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000338686320 456851375 /nfs/dbraw/zinc/85/13/75/456851375.db2.gz FTIIQGVBKCZSAY-LZQZEXGQSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000338686320 456851381 /nfs/dbraw/zinc/85/13/81/456851381.db2.gz FTIIQGVBKCZSAY-LZQZEXGQSA-N 2 2 330.472 3.242 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000349083702 456895906 /nfs/dbraw/zinc/89/59/06/456895906.db2.gz ZADJYWCZNZPKDV-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN(CC[NH+](C)C)Cc1cccs1 ZINC000349301970 456937309 /nfs/dbraw/zinc/93/73/09/456937309.db2.gz VQVWOJAQROIPEL-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)[C@@H](C)C1 ZINC000341777292 456940047 /nfs/dbraw/zinc/94/00/47/456940047.db2.gz VRYNBWPHRNRIRB-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)[C@@H](C)C1 ZINC000341777292 456940051 /nfs/dbraw/zinc/94/00/51/456940051.db2.gz VRYNBWPHRNRIRB-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329958982 456967750 /nfs/dbraw/zinc/96/77/50/456967750.db2.gz QWOQUFPNCSVNST-VXGBXAGGSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329958982 456967753 /nfs/dbraw/zinc/96/77/53/456967753.db2.gz QWOQUFPNCSVNST-VXGBXAGGSA-N 2 2 329.429 3.462 20 0 EGADLP CC[C@@H](CSC)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901261 456992633 /nfs/dbraw/zinc/99/26/33/456992633.db2.gz BUMNFQPISHVPSU-RBUKOAKNSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@@H](CSC)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901261 456992637 /nfs/dbraw/zinc/99/26/37/456992637.db2.gz BUMNFQPISHVPSU-RBUKOAKNSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@@H](CSC)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341901261 456992639 /nfs/dbraw/zinc/99/26/39/456992639.db2.gz BUMNFQPISHVPSU-RBUKOAKNSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@@H](CSC)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341901261 456992643 /nfs/dbraw/zinc/99/26/43/456992643.db2.gz BUMNFQPISHVPSU-RBUKOAKNSA-N 2 2 336.545 3.351 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038875 457024717 /nfs/dbraw/zinc/02/47/17/457024717.db2.gz NZLHQQFKPUMRSJ-ZWKOTPCHSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038875 457024721 /nfs/dbraw/zinc/02/47/21/457024721.db2.gz NZLHQQFKPUMRSJ-ZWKOTPCHSA-N 2 2 337.552 3.124 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000354039964 457026380 /nfs/dbraw/zinc/02/63/80/457026380.db2.gz VJYZTHNPBOJDHJ-QGZVFWFLSA-N 2 2 348.487 3.319 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000354039964 457026391 /nfs/dbraw/zinc/02/63/91/457026391.db2.gz VJYZTHNPBOJDHJ-QGZVFWFLSA-N 2 2 348.487 3.319 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046621 457030692 /nfs/dbraw/zinc/03/06/92/457030692.db2.gz DXRUWYLIXLWJKM-UXHICEINSA-N 2 2 349.563 3.221 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046621 457030699 /nfs/dbraw/zinc/03/06/99/457030699.db2.gz DXRUWYLIXLWJKM-UXHICEINSA-N 2 2 349.563 3.221 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356525468 457036793 /nfs/dbraw/zinc/03/67/93/457036793.db2.gz MHRUFOZJFKHGAU-YLJYHZDGSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ncccc1CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356525468 457036796 /nfs/dbraw/zinc/03/67/96/457036796.db2.gz MHRUFOZJFKHGAU-YLJYHZDGSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000356525460 457037038 /nfs/dbraw/zinc/03/70/38/457037038.db2.gz MHRUFOZJFKHGAU-PXNSSMCTSA-N 2 2 339.483 3.133 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000356525460 457037047 /nfs/dbraw/zinc/03/70/47/457037047.db2.gz MHRUFOZJFKHGAU-PXNSSMCTSA-N 2 2 339.483 3.133 20 0 EGADLP CCC(CC)(CNC(=O)c1c[nH+]c(C)[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000339282762 457038681 /nfs/dbraw/zinc/03/86/81/457038681.db2.gz IZRLSNGXWHBHKA-AWEZNQCLSA-N 2 2 328.460 3.358 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578951 457065774 /nfs/dbraw/zinc/06/57/74/457065774.db2.gz PBZKBIGYQIXVRB-QYZOEREBSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578951 457065778 /nfs/dbraw/zinc/06/57/78/457065778.db2.gz PBZKBIGYQIXVRB-QYZOEREBSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356578951 457065780 /nfs/dbraw/zinc/06/57/80/457065780.db2.gz PBZKBIGYQIXVRB-QYZOEREBSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356578951 457065783 /nfs/dbraw/zinc/06/57/83/457065783.db2.gz PBZKBIGYQIXVRB-QYZOEREBSA-N 2 2 337.552 3.124 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C2CCCCC2)n1 ZINC000354166473 457104101 /nfs/dbraw/zinc/10/41/01/457104101.db2.gz LJLBJEMVDKVNGS-HXUWFJFHSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C2CCCCC2)n1 ZINC000354166473 457104107 /nfs/dbraw/zinc/10/41/07/457104107.db2.gz LJLBJEMVDKVNGS-HXUWFJFHSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C2CCCCC2)n1 ZINC000354166473 457104113 /nfs/dbraw/zinc/10/41/13/457104113.db2.gz LJLBJEMVDKVNGS-HXUWFJFHSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C2CCCCC2)n1 ZINC000354166473 457104120 /nfs/dbraw/zinc/10/41/20/457104120.db2.gz LJLBJEMVDKVNGS-HXUWFJFHSA-N 2 2 330.520 3.386 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425093 457107625 /nfs/dbraw/zinc/10/76/25/457107625.db2.gz DFTSHVFYGKZOLR-HXUWFJFHSA-N 2 2 330.472 3.206 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339425093 457107630 /nfs/dbraw/zinc/10/76/30/457107630.db2.gz DFTSHVFYGKZOLR-HXUWFJFHSA-N 2 2 330.472 3.206 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339425093 457107633 /nfs/dbraw/zinc/10/76/33/457107633.db2.gz DFTSHVFYGKZOLR-HXUWFJFHSA-N 2 2 330.472 3.206 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339425093 457107636 /nfs/dbraw/zinc/10/76/36/457107636.db2.gz DFTSHVFYGKZOLR-HXUWFJFHSA-N 2 2 330.472 3.206 20 0 EGADLP CCCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000354174231 457109107 /nfs/dbraw/zinc/10/91/07/457109107.db2.gz AHBRFWRGNQUCNK-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC ZINC000354174231 457109109 /nfs/dbraw/zinc/10/91/09/457109109.db2.gz AHBRFWRGNQUCNK-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OC ZINC000354174231 457109115 /nfs/dbraw/zinc/10/91/15/457109115.db2.gz AHBRFWRGNQUCNK-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OC ZINC000354174231 457109119 /nfs/dbraw/zinc/10/91/19/457109119.db2.gz AHBRFWRGNQUCNK-HXUWFJFHSA-N 2 2 332.488 3.402 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000339429592 457113118 /nfs/dbraw/zinc/11/31/18/457113118.db2.gz XFJHGAZLKADLHL-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3sccc3Br)C2)C1 ZINC000339429592 457113123 /nfs/dbraw/zinc/11/31/23/457113123.db2.gz XFJHGAZLKADLHL-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3sccc3Br)C2)C1 ZINC000339429592 457113129 /nfs/dbraw/zinc/11/31/29/457113129.db2.gz XFJHGAZLKADLHL-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000339429592 457113134 /nfs/dbraw/zinc/11/31/34/457113134.db2.gz XFJHGAZLKADLHL-AWEZNQCLSA-N 2 2 329.307 3.428 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000354182128 457115614 /nfs/dbraw/zinc/11/56/14/457115614.db2.gz OWJAZAVFSRTDMF-UHFFFAOYSA-N 2 2 341.455 3.474 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000346701185 457118431 /nfs/dbraw/zinc/11/84/31/457118431.db2.gz RGIATWGGPZPMLF-YLJYHZDGSA-N 2 2 327.516 3.256 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000354256895 457158010 /nfs/dbraw/zinc/15/80/10/457158010.db2.gz XAWIKKWSXLQZFQ-MOPGFXCFSA-N 2 2 349.563 3.218 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000354256895 457158013 /nfs/dbraw/zinc/15/80/13/457158013.db2.gz XAWIKKWSXLQZFQ-MOPGFXCFSA-N 2 2 349.563 3.218 20 0 EGADLP Fc1cc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc(F)c1F ZINC000356790203 457168100 /nfs/dbraw/zinc/16/81/00/457168100.db2.gz XSYBHSOAOQHAMH-UHFFFAOYSA-N 2 2 349.400 3.296 20 0 EGADLP Cc1ccc(-n2c[nH+]c3c2CCN(c2[nH+]cnc4[nH]ccc42)C3)cc1 ZINC000362951879 457170996 /nfs/dbraw/zinc/17/09/96/457170996.db2.gz NXVWJLWVYZJVEE-UHFFFAOYSA-N 2 2 330.395 3.015 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cccc(OC)n1)[N@@H+]1CCc2ccccc2C1 ZINC000359974632 457181648 /nfs/dbraw/zinc/18/16/48/457181648.db2.gz IEDJHBLDHOOTNB-IBGZPJMESA-N 2 2 325.456 3.017 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cccc(OC)n1)[N@H+]1CCc2ccccc2C1 ZINC000359974632 457181651 /nfs/dbraw/zinc/18/16/51/457181651.db2.gz IEDJHBLDHOOTNB-IBGZPJMESA-N 2 2 325.456 3.017 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000356845116 457181727 /nfs/dbraw/zinc/18/17/27/457181727.db2.gz IFSXLZIOHSZCQX-ZYSHUDEJSA-N 2 2 331.504 3.063 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000356845114 457182431 /nfs/dbraw/zinc/18/24/31/457182431.db2.gz IFSXLZIOHSZCQX-SNRMKQJTSA-N 2 2 331.504 3.063 20 0 EGADLP OCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000356868777 457188610 /nfs/dbraw/zinc/18/86/10/457188610.db2.gz NGTFDNDACSQCGV-INIZCTEOSA-N 2 2 330.394 3.117 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000339661362 457198867 /nfs/dbraw/zinc/19/88/67/457198867.db2.gz SYKDOWNRPTWUFB-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000339661362 457198871 /nfs/dbraw/zinc/19/88/71/457198871.db2.gz SYKDOWNRPTWUFB-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000339660659 457198925 /nfs/dbraw/zinc/19/89/25/457198925.db2.gz IUOFPWWWJXRZRB-WOJBJXKFSA-N 2 2 349.478 3.413 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000339660659 457198927 /nfs/dbraw/zinc/19/89/27/457198927.db2.gz IUOFPWWWJXRZRB-WOJBJXKFSA-N 2 2 349.478 3.413 20 0 EGADLP Fc1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347065984 457212461 /nfs/dbraw/zinc/21/24/61/457212461.db2.gz AJNNCGZZNJGDCR-HNNXBMFYSA-N 2 2 336.794 3.406 20 0 EGADLP Fc1ccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347065984 457212464 /nfs/dbraw/zinc/21/24/64/457212464.db2.gz AJNNCGZZNJGDCR-HNNXBMFYSA-N 2 2 336.794 3.406 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C)n21 ZINC000342299574 457222096 /nfs/dbraw/zinc/22/20/96/457222096.db2.gz BQFBGVLERFJCKE-PXNSSMCTSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)n21 ZINC000342299574 457222101 /nfs/dbraw/zinc/22/21/01/457222101.db2.gz BQFBGVLERFJCKE-PXNSSMCTSA-N 2 2 334.467 3.395 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000360046630 457222918 /nfs/dbraw/zinc/22/29/18/457222918.db2.gz QYZCDVIRVHYBPS-DOIPELPJSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000360046630 457222923 /nfs/dbraw/zinc/22/29/23/457222923.db2.gz QYZCDVIRVHYBPS-DOIPELPJSA-N 2 2 340.511 3.444 20 0 EGADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2F)CC1)Cc1ccccc1 ZINC000354441291 457224717 /nfs/dbraw/zinc/22/47/17/457224717.db2.gz YSNFMEFAXPHTQR-UHFFFAOYSA-N 2 2 341.474 3.075 20 0 EGADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2F)CC1)Cc1ccccc1 ZINC000354441291 457224724 /nfs/dbraw/zinc/22/47/24/457224724.db2.gz YSNFMEFAXPHTQR-UHFFFAOYSA-N 2 2 341.474 3.075 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339707113 457225487 /nfs/dbraw/zinc/22/54/87/457225487.db2.gz MLEJPIRSRHMGGR-HXUWFJFHSA-N 2 2 327.472 3.411 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339707113 457225489 /nfs/dbraw/zinc/22/54/89/457225489.db2.gz MLEJPIRSRHMGGR-HXUWFJFHSA-N 2 2 327.472 3.411 20 0 EGADLP Cn1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(-c2cccs2)n1 ZINC000347108924 457233775 /nfs/dbraw/zinc/23/37/75/457233775.db2.gz PAIUJOHIVZKDLA-UHFFFAOYSA-N 2 2 330.501 3.113 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000347146940 457256116 /nfs/dbraw/zinc/25/61/16/457256116.db2.gz FYJWLANQBGIQPX-KRWDZBQOSA-N 2 2 327.428 3.307 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000347146940 457256124 /nfs/dbraw/zinc/25/61/24/457256124.db2.gz FYJWLANQBGIQPX-KRWDZBQOSA-N 2 2 327.428 3.307 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccccc2)cc1F)C1CC[NH+](CCO)CC1 ZINC000356980887 457256190 /nfs/dbraw/zinc/25/61/90/457256190.db2.gz FSUKVINXGGZLTO-UHFFFAOYSA-N 2 2 342.458 3.381 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccccc2)cc1F)C1CC[NH+](CCO)CC1 ZINC000356980887 457256191 /nfs/dbraw/zinc/25/61/91/457256191.db2.gz FSUKVINXGGZLTO-UHFFFAOYSA-N 2 2 342.458 3.381 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000356996880 457265528 /nfs/dbraw/zinc/26/55/28/457265528.db2.gz QYPPOPAYSMKJFS-KSSFIOAISA-N 2 2 341.434 3.079 20 0 EGADLP [NH3+]CC[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000342392400 457276713 /nfs/dbraw/zinc/27/67/13/457276713.db2.gz UEAOHBGDMHFRBG-UHFFFAOYSA-N 2 2 336.439 3.130 20 0 EGADLP [NH3+]CC[N@@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000342392400 457276717 /nfs/dbraw/zinc/27/67/17/457276717.db2.gz UEAOHBGDMHFRBG-UHFFFAOYSA-N 2 2 336.439 3.130 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)s1 ZINC000342411574 457288416 /nfs/dbraw/zinc/28/84/16/457288416.db2.gz CKILOZWSKCTMKM-RDJZCZTQSA-N 2 2 331.485 3.215 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609822 457306581 /nfs/dbraw/zinc/30/65/81/457306581.db2.gz MQFYZLDMUQJIOO-RHSMWYFYSA-N 2 2 326.431 3.097 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C)C1CC1 ZINC000351609822 457306587 /nfs/dbraw/zinc/30/65/87/457306587.db2.gz MQFYZLDMUQJIOO-RHSMWYFYSA-N 2 2 326.431 3.097 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209782 457328100 /nfs/dbraw/zinc/32/81/00/457328100.db2.gz RYOLJQCXLTWWRO-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000332209782 457328105 /nfs/dbraw/zinc/32/81/05/457328105.db2.gz RYOLJQCXLTWWRO-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP COCc1cc(NC[C@H](C)C[NH+]2CCCC2)c2cc(F)ccc2[nH+]1 ZINC000357312354 457438005 /nfs/dbraw/zinc/43/80/05/457438005.db2.gz IVHLKUXGWGMCLM-AWEZNQCLSA-N 2 2 331.435 3.086 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105725 457438421 /nfs/dbraw/zinc/43/84/21/457438421.db2.gz IHZNCQZNYHXKSM-WMLDXEAASA-N 2 2 348.450 3.290 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105725 457438428 /nfs/dbraw/zinc/43/84/28/457438428.db2.gz IHZNCQZNYHXKSM-WMLDXEAASA-N 2 2 348.450 3.290 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)cc2)c1C ZINC000360944417 457450918 /nfs/dbraw/zinc/45/09/18/457450918.db2.gz MURQAXKOIGUDBL-KRWDZBQOSA-N 2 2 335.411 3.202 20 0 EGADLP Cc1ccsc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360943509 457450979 /nfs/dbraw/zinc/45/09/79/457450979.db2.gz UZBQSIWTKMIOGB-KRWDZBQOSA-N 3 2 344.528 3.314 20 0 EGADLP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC000369899604 457451051 /nfs/dbraw/zinc/45/10/51/457451051.db2.gz ILGWEWADJIHURW-LJQANCHMSA-N 2 2 338.455 3.425 20 0 EGADLP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC000369899604 457451054 /nfs/dbraw/zinc/45/10/54/457451054.db2.gz ILGWEWADJIHURW-LJQANCHMSA-N 2 2 338.455 3.425 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000360945460 457452841 /nfs/dbraw/zinc/45/28/41/457452841.db2.gz DZJDRCJGXMYJDI-ZBFHGGJFSA-N 2 2 332.448 3.320 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CCC2 ZINC000352630594 457496425 /nfs/dbraw/zinc/49/64/25/457496425.db2.gz PJEJSSGPXFPQFH-QGZVFWFLSA-N 2 2 335.455 3.259 20 0 EGADLP Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc(C(C)C)[nH+]1 ZINC000361001480 457502065 /nfs/dbraw/zinc/50/20/65/457502065.db2.gz GYXXBGLTPRBBPH-SFHVURJKSA-N 2 2 339.487 3.262 20 0 EGADLP Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(C(C)C)[nH+]1 ZINC000361001480 457502073 /nfs/dbraw/zinc/50/20/73/457502073.db2.gz GYXXBGLTPRBBPH-SFHVURJKSA-N 2 2 339.487 3.262 20 0 EGADLP CCO[C@@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337491 457503269 /nfs/dbraw/zinc/50/32/69/457503269.db2.gz NRBQUOKEXIHSHT-DLBZAZTESA-N 2 2 334.508 3.046 20 0 EGADLP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337491 457503279 /nfs/dbraw/zinc/50/32/79/457503279.db2.gz NRBQUOKEXIHSHT-DLBZAZTESA-N 2 2 334.508 3.046 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374279596 457565402 /nfs/dbraw/zinc/56/54/02/457565402.db2.gz KXSPBCTXIWBLBG-OAQYLSRUSA-N 3 2 338.499 3.149 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374279596 457565408 /nfs/dbraw/zinc/56/54/08/457565408.db2.gz KXSPBCTXIWBLBG-OAQYLSRUSA-N 3 2 338.499 3.149 20 0 EGADLP COCc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357513733 457572942 /nfs/dbraw/zinc/57/29/42/457572942.db2.gz NTKHSOGYYZASNS-HOCLYGCPSA-N 2 2 331.435 3.227 20 0 EGADLP CC(C)[NH+](CCN(C)Cc1[nH+]ccn1Cc1ccccc1)C(C)C ZINC000356365377 457586607 /nfs/dbraw/zinc/58/66/07/457586607.db2.gz FGUTVPYILMYCHO-UHFFFAOYSA-N 2 2 328.504 3.482 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(=O)OC)c2ccsc2)CC1 ZINC000410324976 457637117 /nfs/dbraw/zinc/63/71/17/457637117.db2.gz FRIJSWPNGSBOIZ-KRWDZBQOSA-N 2 2 338.517 3.406 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OC)c2ccsc2)CC1 ZINC000410324976 457637119 /nfs/dbraw/zinc/63/71/19/457637119.db2.gz FRIJSWPNGSBOIZ-KRWDZBQOSA-N 2 2 338.517 3.406 20 0 EGADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374538853 457652192 /nfs/dbraw/zinc/65/21/92/457652192.db2.gz SGZPUDBDCQSQJG-IEBWSBKVSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374538853 457652201 /nfs/dbraw/zinc/65/22/01/457652201.db2.gz SGZPUDBDCQSQJG-IEBWSBKVSA-N 2 2 345.531 3.037 20 0 EGADLP C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357680668 457653030 /nfs/dbraw/zinc/65/30/30/457653030.db2.gz MUOODQOHIGIZAU-LIRRHRJNSA-N 2 2 325.460 3.402 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000374573683 457663992 /nfs/dbraw/zinc/66/39/92/457663992.db2.gz DELAIYRPKCHXHE-YOEHRIQHSA-N 2 2 326.444 3.378 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000370594126 457678867 /nfs/dbraw/zinc/67/88/67/457678867.db2.gz RFKXRJOWEZYCKO-KRWDZBQOSA-N 2 2 338.455 3.454 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000370616276 457682434 /nfs/dbraw/zinc/68/24/34/457682434.db2.gz QSVULBWLWULGNT-GOSISDBHSA-N 2 2 348.535 3.103 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(Br)cc2o1 ZINC000361349744 457702112 /nfs/dbraw/zinc/70/21/12/457702112.db2.gz XRQQMFUDAGUYFV-UHFFFAOYSA-N 2 2 349.232 3.309 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc2ccc(Br)cc2o1 ZINC000361349744 457702115 /nfs/dbraw/zinc/70/21/15/457702115.db2.gz XRQQMFUDAGUYFV-UHFFFAOYSA-N 2 2 349.232 3.309 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[NH+]3[C@H](C)CCC[C@H]3C)CC2)n1 ZINC000361355875 457704876 /nfs/dbraw/zinc/70/48/76/457704876.db2.gz OBDKHBHKIHVTGD-HZPDHXFCSA-N 2 2 336.549 3.273 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)s1 ZINC000425956085 457747174 /nfs/dbraw/zinc/74/71/74/457747174.db2.gz VLUYFMRGJCILGZ-FQEVSTJZSA-N 2 2 344.524 3.434 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(C)s1 ZINC000425956085 457747175 /nfs/dbraw/zinc/74/71/75/457747175.db2.gz VLUYFMRGJCILGZ-FQEVSTJZSA-N 2 2 344.524 3.434 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000425956085 457747178 /nfs/dbraw/zinc/74/71/78/457747178.db2.gz VLUYFMRGJCILGZ-FQEVSTJZSA-N 2 2 344.524 3.434 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000425956085 457747182 /nfs/dbraw/zinc/74/71/82/457747182.db2.gz VLUYFMRGJCILGZ-FQEVSTJZSA-N 2 2 344.524 3.434 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000426030002 457761897 /nfs/dbraw/zinc/76/18/97/457761897.db2.gz MUMMZOAKDCDIBQ-JIZBTBOESA-N 2 2 332.488 3.308 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531416 457774945 /nfs/dbraw/zinc/77/49/45/457774945.db2.gz RITSXYINGNHRIQ-ZFWWWQNUSA-N 2 2 345.409 3.327 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531416 457774950 /nfs/dbraw/zinc/77/49/50/457774950.db2.gz RITSXYINGNHRIQ-ZFWWWQNUSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531416 457774952 /nfs/dbraw/zinc/77/49/52/457774952.db2.gz RITSXYINGNHRIQ-ZFWWWQNUSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC000361531416 457774957 /nfs/dbraw/zinc/77/49/57/457774957.db2.gz RITSXYINGNHRIQ-ZFWWWQNUSA-N 2 2 345.409 3.327 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1)C[NH+]1CCCC1 ZINC000443959856 457830365 /nfs/dbraw/zinc/83/03/65/457830365.db2.gz FJWMYJIQDDBECV-GOSISDBHSA-N 2 2 344.430 3.164 20 0 EGADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295672 457853398 /nfs/dbraw/zinc/85/33/98/457853398.db2.gz QZQTXKMQUKLYKR-SAHWJRBASA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295672 457853405 /nfs/dbraw/zinc/85/34/05/457853405.db2.gz QZQTXKMQUKLYKR-SAHWJRBASA-N 2 2 334.529 3.014 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875054 /nfs/dbraw/zinc/87/50/54/457875054.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875061 /nfs/dbraw/zinc/87/50/61/457875061.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875068 /nfs/dbraw/zinc/87/50/68/457875068.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000358231525 457875076 /nfs/dbraw/zinc/87/50/76/457875076.db2.gz TWDBREZTGCEGKY-TYPHKJRUSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358238189 457878507 /nfs/dbraw/zinc/87/85/07/457878507.db2.gz MKKQIGKLVCQSBI-UMGGQSCQSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000358238189 457878512 /nfs/dbraw/zinc/87/85/12/457878512.db2.gz MKKQIGKLVCQSBI-UMGGQSCQSA-N 2 2 345.531 3.475 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257969 457892928 /nfs/dbraw/zinc/89/29/28/457892928.db2.gz VFPKITWITAIKBX-FUHWJXTLSA-N 2 2 340.895 3.092 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257969 457892932 /nfs/dbraw/zinc/89/29/32/457892932.db2.gz VFPKITWITAIKBX-FUHWJXTLSA-N 2 2 340.895 3.092 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302250 457919863 /nfs/dbraw/zinc/91/98/63/457919863.db2.gz PYRMQXYVMICYGV-RLLQIKCJSA-N 2 2 344.499 3.140 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302250 457919872 /nfs/dbraw/zinc/91/98/72/457919872.db2.gz PYRMQXYVMICYGV-RLLQIKCJSA-N 2 2 344.499 3.140 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888968 457933547 /nfs/dbraw/zinc/93/35/47/457933547.db2.gz MVPQHDPDGUBFES-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888968 457933554 /nfs/dbraw/zinc/93/35/54/457933554.db2.gz MVPQHDPDGUBFES-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332366 457937741 /nfs/dbraw/zinc/93/77/41/457937741.db2.gz VZSTWZWPJGUYEG-CJNGLKHVSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C1 ZINC000358332366 457937748 /nfs/dbraw/zinc/93/77/48/457937748.db2.gz VZSTWZWPJGUYEG-CJNGLKHVSA-N 2 2 330.394 3.195 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434102647 457947408 /nfs/dbraw/zinc/94/74/08/457947408.db2.gz TVVUVSILTLGFOU-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434102647 457947412 /nfs/dbraw/zinc/94/74/12/457947412.db2.gz TVVUVSILTLGFOU-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434102647 457947419 /nfs/dbraw/zinc/94/74/19/457947419.db2.gz TVVUVSILTLGFOU-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000434102647 457947425 /nfs/dbraw/zinc/94/74/25/457947425.db2.gz TVVUVSILTLGFOU-CALCHBBNSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794348 458053112 /nfs/dbraw/zinc/05/31/12/458053112.db2.gz MSMORBGHKAFGAK-QFUCXCTJSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000434794348 458053121 /nfs/dbraw/zinc/05/31/21/458053121.db2.gz MSMORBGHKAFGAK-QFUCXCTJSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434794348 458053131 /nfs/dbraw/zinc/05/31/31/458053131.db2.gz MSMORBGHKAFGAK-QFUCXCTJSA-N 2 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434794348 458053136 /nfs/dbraw/zinc/05/31/36/458053136.db2.gz MSMORBGHKAFGAK-QFUCXCTJSA-N 2 2 327.516 3.428 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)CCC2 ZINC000375840771 458090720 /nfs/dbraw/zinc/09/07/20/458090720.db2.gz PYMHQXJJCOBPPE-HOTGVXAUSA-N 2 2 336.443 3.000 20 0 EGADLP C[C@H]1C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435372336 458123272 /nfs/dbraw/zinc/12/32/72/458123272.db2.gz JONCGJOPHLCGBO-FZMZJTMJSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435372336 458123278 /nfs/dbraw/zinc/12/32/78/458123278.db2.gz JONCGJOPHLCGBO-FZMZJTMJSA-N 2 2 349.276 3.008 20 0 EGADLP Fc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435421951 458142131 /nfs/dbraw/zinc/14/21/31/458142131.db2.gz LZQQHDNBPPJFKS-INIZCTEOSA-N 2 2 331.460 3.427 20 0 EGADLP Fc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435421951 458142139 /nfs/dbraw/zinc/14/21/39/458142139.db2.gz LZQQHDNBPPJFKS-INIZCTEOSA-N 2 2 331.460 3.427 20 0 EGADLP CC[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(C)C ZINC000428468682 458151912 /nfs/dbraw/zinc/15/19/12/458151912.db2.gz GBLJHDILYSVFDB-UHFFFAOYSA-N 2 2 338.521 3.044 20 0 EGADLP CC[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(C)C ZINC000428468682 458151916 /nfs/dbraw/zinc/15/19/16/458151916.db2.gz GBLJHDILYSVFDB-UHFFFAOYSA-N 2 2 338.521 3.044 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1c[nH+]c(C)cc1C)c1ccco1 ZINC000458766173 458164493 /nfs/dbraw/zinc/16/44/93/458164493.db2.gz LETLJIHHWAWUMR-WMLDXEAASA-N 2 2 344.459 3.220 20 0 EGADLP CN(C)c1ccccc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614122 458171744 /nfs/dbraw/zinc/17/17/44/458171744.db2.gz CWTHAFZMZFLNJD-HXUWFJFHSA-N 2 2 338.499 3.292 20 0 EGADLP CN(C)c1ccccc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614122 458171746 /nfs/dbraw/zinc/17/17/46/458171746.db2.gz CWTHAFZMZFLNJD-HXUWFJFHSA-N 2 2 338.499 3.292 20 0 EGADLP CCCCc1noc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369513204 458243465 /nfs/dbraw/zinc/24/34/65/458243465.db2.gz XLPXLYDJHNDIJX-OAHLLOKOSA-N 2 2 329.448 3.192 20 0 EGADLP CCCCc1noc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369513204 458243469 /nfs/dbraw/zinc/24/34/69/458243469.db2.gz XLPXLYDJHNDIJX-OAHLLOKOSA-N 2 2 329.448 3.192 20 0 EGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000446938674 458248081 /nfs/dbraw/zinc/24/80/81/458248081.db2.gz JTRXDPONCZJRDV-MOPGFXCFSA-N 2 2 336.545 3.255 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000376425176 458296648 /nfs/dbraw/zinc/29/66/48/458296648.db2.gz HQOZMSCNVGXAGC-INIZCTEOSA-N 2 2 329.444 3.077 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000376425176 458296653 /nfs/dbraw/zinc/29/66/53/458296653.db2.gz HQOZMSCNVGXAGC-INIZCTEOSA-N 2 2 329.444 3.077 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000376426757 458297801 /nfs/dbraw/zinc/29/78/01/458297801.db2.gz LULJQTXBGWLNOG-CQSZACIVSA-N 2 2 346.862 3.282 20 0 EGADLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c(C)[nH+]1 ZINC000436488321 458313904 /nfs/dbraw/zinc/31/39/04/458313904.db2.gz DSSBEAHUCHHGFC-UHFFFAOYSA-N 2 2 330.432 3.196 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000459370022 458346816 /nfs/dbraw/zinc/34/68/16/458346816.db2.gz GSHREAZYPRYFLW-MRXNPFEDSA-N 2 2 343.862 3.359 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCn1cc(Cl)cn1 ZINC000459370022 458346820 /nfs/dbraw/zinc/34/68/20/458346820.db2.gz GSHREAZYPRYFLW-MRXNPFEDSA-N 2 2 343.862 3.359 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000447895514 458363019 /nfs/dbraw/zinc/36/30/19/458363019.db2.gz CEYGRMKCVWVSEX-HNAYVOBHSA-N 2 2 326.488 3.037 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000447895514 458363022 /nfs/dbraw/zinc/36/30/22/458363022.db2.gz CEYGRMKCVWVSEX-HNAYVOBHSA-N 2 2 326.488 3.037 20 0 EGADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000459420834 458364558 /nfs/dbraw/zinc/36/45/58/458364558.db2.gz GNFUQZXAWRGDQA-INIZCTEOSA-N 2 2 328.460 3.010 20 0 EGADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000459420834 458364561 /nfs/dbraw/zinc/36/45/61/458364561.db2.gz GNFUQZXAWRGDQA-INIZCTEOSA-N 2 2 328.460 3.010 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000459435929 458370304 /nfs/dbraw/zinc/37/03/04/458370304.db2.gz XVQOZTCWZQDBGG-CHWSQXEVSA-N 2 2 327.266 3.117 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436751 458371626 /nfs/dbraw/zinc/37/16/26/458371626.db2.gz ZHUFLXHCQLWCAG-UZLBHIALSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436751 458371630 /nfs/dbraw/zinc/37/16/30/458371630.db2.gz ZHUFLXHCQLWCAG-UZLBHIALSA-N 2 2 336.483 3.354 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448031956 458381727 /nfs/dbraw/zinc/38/17/27/458381727.db2.gz VQYUNCQNTCJROH-AEFFLSMTSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448031956 458381730 /nfs/dbraw/zinc/38/17/30/458381730.db2.gz VQYUNCQNTCJROH-AEFFLSMTSA-N 2 2 331.504 3.422 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(OCc3ccncc3)cc1)CCCC2 ZINC000376758302 458385744 /nfs/dbraw/zinc/38/57/44/458385744.db2.gz NMYRMVKPNBMYEM-UHFFFAOYSA-N 2 2 348.450 3.483 20 0 EGADLP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000430099556 458401380 /nfs/dbraw/zinc/40/13/80/458401380.db2.gz KDJQNDKKBVWFJW-NRFANRHFSA-N 2 2 338.451 3.139 20 0 EGADLP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000430099556 458401383 /nfs/dbraw/zinc/40/13/83/458401383.db2.gz KDJQNDKKBVWFJW-NRFANRHFSA-N 2 2 338.451 3.139 20 0 EGADLP COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430111825 458403374 /nfs/dbraw/zinc/40/33/74/458403374.db2.gz VAGXWLSMDOMVDD-OAQYLSRUSA-N 2 2 338.451 3.139 20 0 EGADLP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000430111825 458403378 /nfs/dbraw/zinc/40/33/78/458403378.db2.gz VAGXWLSMDOMVDD-OAQYLSRUSA-N 2 2 338.451 3.139 20 0 EGADLP Brc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423433158 458432592 /nfs/dbraw/zinc/43/25/92/458432592.db2.gz MXQBNLJREYNVKH-XWTMOSNGSA-N 2 2 343.268 3.346 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423495212 458443863 /nfs/dbraw/zinc/44/38/63/458443863.db2.gz UAJJIRFZTLHZMF-HKUYNNGSSA-N 2 2 346.515 3.474 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423515404 458449080 /nfs/dbraw/zinc/44/90/80/458449080.db2.gz NEIGNSUTBZJGCR-RDJZCZTQSA-N 2 2 349.931 3.179 20 0 EGADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)cs2)cs1 ZINC000423521474 458450198 /nfs/dbraw/zinc/45/01/98/458450198.db2.gz QTAVIQDLMKXLLA-FZMZJTMJSA-N 2 2 337.514 3.209 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000423518614 458450208 /nfs/dbraw/zinc/45/02/08/458450208.db2.gz OWCBWIKOHBWUKX-KBPBESRZSA-N 2 2 333.476 3.108 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423554447 458456904 /nfs/dbraw/zinc/45/69/04/458456904.db2.gz HHLLFSVWAIGAHZ-NRFANRHFSA-N 3 2 335.495 3.257 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1Cl ZINC000423577418 458457841 /nfs/dbraw/zinc/45/78/41/458457841.db2.gz SDXONDPQLZMMRS-RISCZKNCSA-N 2 2 347.684 3.132 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C1CC1 ZINC000430576360 458465401 /nfs/dbraw/zinc/46/54/01/458465401.db2.gz XCUCDJBINDTHHY-SFTDATJTSA-N 2 2 343.515 3.141 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583928 458466355 /nfs/dbraw/zinc/46/63/55/458466355.db2.gz YKWGGZLNOZURON-ZFWWWQNUSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccnn1-c1ccccc1C)CCC2 ZINC000373385123 458477497 /nfs/dbraw/zinc/47/74/97/458477497.db2.gz OWKODYMVVKIEJD-QGZVFWFLSA-N 2 2 335.455 3.353 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)C1CC[NH2+]CC1 ZINC000423806120 458487347 /nfs/dbraw/zinc/48/73/47/458487347.db2.gz DWQPCKMRARWFET-ZDUSSCGKSA-N 2 2 340.471 3.415 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758929 458488066 /nfs/dbraw/zinc/48/80/66/458488066.db2.gz DRFAFFBXISKGCG-SJORKVTESA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758929 458488071 /nfs/dbraw/zinc/48/80/71/458488071.db2.gz DRFAFFBXISKGCG-SJORKVTESA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758929 458488076 /nfs/dbraw/zinc/48/80/76/458488076.db2.gz DRFAFFBXISKGCG-SJORKVTESA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758929 458488080 /nfs/dbraw/zinc/48/80/80/458488080.db2.gz DRFAFFBXISKGCG-SJORKVTESA-N 2 2 342.487 3.186 20 0 EGADLP CC(C)(C)CCNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000437775317 458490879 /nfs/dbraw/zinc/49/08/79/458490879.db2.gz NRYQPIDLOAKFNZ-UHFFFAOYSA-N 2 2 330.476 3.286 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423868716 458501712 /nfs/dbraw/zinc/50/17/12/458501712.db2.gz HXDMWQINXPYKLC-VQIMIIECSA-N 2 2 342.487 3.020 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430921554 458505254 /nfs/dbraw/zinc/50/52/54/458505254.db2.gz YPGCKGHWQPZRKZ-LLVKDONJSA-N 2 2 344.286 3.252 20 0 EGADLP CCC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000430961399 458511173 /nfs/dbraw/zinc/51/11/73/458511173.db2.gz CSSFLUVXKFUNCA-OAHLLOKOSA-N 2 2 334.851 3.006 20 0 EGADLP CCC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000430961399 458511175 /nfs/dbraw/zinc/51/11/75/458511175.db2.gz CSSFLUVXKFUNCA-OAHLLOKOSA-N 2 2 334.851 3.006 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763304 458516689 /nfs/dbraw/zinc/51/66/89/458516689.db2.gz OZJKEQKSAPBVAF-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763304 458516692 /nfs/dbraw/zinc/51/66/92/458516692.db2.gz OZJKEQKSAPBVAF-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763304 458516697 /nfs/dbraw/zinc/51/66/97/458516697.db2.gz OZJKEQKSAPBVAF-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377763304 458516702 /nfs/dbraw/zinc/51/67/02/458516702.db2.gz OZJKEQKSAPBVAF-OALUTQOASA-N 2 2 337.467 3.044 20 0 EGADLP CC[C@@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000460943597 458541357 /nfs/dbraw/zinc/54/13/57/458541357.db2.gz MZYQTJCJPBAYMQ-IAGOWNOFSA-N 2 2 327.472 3.133 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000373818455 458612273 /nfs/dbraw/zinc/61/22/73/458612273.db2.gz MPIDWUHYAACRTO-ZTFGCOKTSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000373818455 458612278 /nfs/dbraw/zinc/61/22/78/458612278.db2.gz MPIDWUHYAACRTO-ZTFGCOKTSA-N 2 2 338.879 3.032 20 0 EGADLP CCCc1csc(C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045687 458619389 /nfs/dbraw/zinc/61/93/89/458619389.db2.gz BULODYJPKQHJOF-RDJZCZTQSA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1csc(C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)n1 ZINC000494045687 458619395 /nfs/dbraw/zinc/61/93/95/458619395.db2.gz BULODYJPKQHJOF-RDJZCZTQSA-N 2 2 339.549 3.322 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000494052543 458620372 /nfs/dbraw/zinc/62/03/72/458620372.db2.gz LBNUWQHCKKCLHZ-JKSUJKDBSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000494052543 458620377 /nfs/dbraw/zinc/62/03/77/458620377.db2.gz LBNUWQHCKKCLHZ-JKSUJKDBSA-N 2 2 348.491 3.236 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000502245827 458642393 /nfs/dbraw/zinc/64/23/93/458642393.db2.gz BQYMJEKXSPAJJV-SJORKVTESA-N 2 2 334.504 3.407 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)c2[nH+]ccn21 ZINC000456363963 458647889 /nfs/dbraw/zinc/64/78/89/458647889.db2.gz FQSRVYYXEFNFAQ-DOMZBBRYSA-N 2 2 338.411 3.127 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494261883 458649853 /nfs/dbraw/zinc/64/98/53/458649853.db2.gz JNDKXDVIHGUUKY-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494261883 458649862 /nfs/dbraw/zinc/64/98/62/458649862.db2.gz JNDKXDVIHGUUKY-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462813539 458656500 /nfs/dbraw/zinc/65/65/00/458656500.db2.gz ABZNKBLZIHGMCT-INIZCTEOSA-N 2 2 331.504 3.392 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462813539 458656506 /nfs/dbraw/zinc/65/65/06/458656506.db2.gz ABZNKBLZIHGMCT-INIZCTEOSA-N 2 2 331.504 3.392 20 0 EGADLP Cc1cc(N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nc(C(C)C)[nH+]1 ZINC000462823597 458657811 /nfs/dbraw/zinc/65/78/11/458657811.db2.gz WCXTYJKPWZQLND-CQSZACIVSA-N 2 2 327.476 3.251 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000494399772 458670969 /nfs/dbraw/zinc/67/09/69/458670969.db2.gz OVJDASALVJRQAD-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000494399772 458670978 /nfs/dbraw/zinc/67/09/78/458670978.db2.gz OVJDASALVJRQAD-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494403937 458672181 /nfs/dbraw/zinc/67/21/81/458672181.db2.gz IZIPQKFBTJLGBG-CQSZACIVSA-N 2 2 349.862 3.439 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026259 458674924 /nfs/dbraw/zinc/67/49/24/458674924.db2.gz VOTYNJXXCODKPS-IEBWSBKVSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026259 458674932 /nfs/dbraw/zinc/67/49/32/458674932.db2.gz VOTYNJXXCODKPS-IEBWSBKVSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026259 458674939 /nfs/dbraw/zinc/67/49/39/458674939.db2.gz VOTYNJXXCODKPS-IEBWSBKVSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000471026259 458674943 /nfs/dbraw/zinc/67/49/43/458674943.db2.gz VOTYNJXXCODKPS-IEBWSBKVSA-N 2 2 345.531 3.090 20 0 EGADLP Cc1cc(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nc(C(C)C)[nH+]1 ZINC000471050040 458677993 /nfs/dbraw/zinc/67/79/93/458677993.db2.gz HWADGZCDXVXXMS-INIZCTEOSA-N 2 2 340.471 3.467 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000463140319 458678381 /nfs/dbraw/zinc/67/83/81/458678381.db2.gz KZGQLXDEEUAWSV-UHFFFAOYSA-N 3 2 347.522 3.298 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177939 458709112 /nfs/dbraw/zinc/70/91/12/458709112.db2.gz LVSMYAHOZGWLRI-FQEVSTJZSA-N 2 2 338.499 3.231 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)CC3 ZINC000547309981 458716738 /nfs/dbraw/zinc/71/67/38/458716738.db2.gz WPCUJQNMUYZLEV-HZPDHXFCSA-N 2 2 341.499 3.498 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000463734666 458717427 /nfs/dbraw/zinc/71/74/27/458717427.db2.gz PUUHVJJMZOFIFD-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000463734666 458717430 /nfs/dbraw/zinc/71/74/30/458717430.db2.gz PUUHVJJMZOFIFD-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530225089 458724048 /nfs/dbraw/zinc/72/40/48/458724048.db2.gz WNGMAUUQSOZHFD-YOEHRIQHSA-N 2 2 330.476 3.152 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3C[N@H+](CC(C)C)CCO3)cc2c1C ZINC000472056911 458765452 /nfs/dbraw/zinc/76/54/52/458765452.db2.gz AUWJVAQDNBJDFR-GOSISDBHSA-N 2 2 329.488 3.231 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]C[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2c1C ZINC000472056911 458765456 /nfs/dbraw/zinc/76/54/56/458765456.db2.gz AUWJVAQDNBJDFR-GOSISDBHSA-N 2 2 329.488 3.231 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495018937 458784615 /nfs/dbraw/zinc/78/46/15/458784615.db2.gz QQUWANJPTQKGJS-GOEBONIOSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495018937 458784617 /nfs/dbraw/zinc/78/46/17/458784617.db2.gz QQUWANJPTQKGJS-GOEBONIOSA-N 2 2 326.444 3.179 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(C(=O)N(C)C)cc1 ZINC000495059613 458790572 /nfs/dbraw/zinc/79/05/72/458790572.db2.gz NNGHKDMRKCVHQQ-MRXNPFEDSA-N 2 2 348.450 3.425 20 0 EGADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530906973 458842157 /nfs/dbraw/zinc/84/21/57/458842157.db2.gz YTJABQMJZUDSJN-MRXNPFEDSA-N 2 2 338.455 3.465 20 0 EGADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530906973 458842163 /nfs/dbraw/zinc/84/21/63/458842163.db2.gz YTJABQMJZUDSJN-MRXNPFEDSA-N 2 2 338.455 3.465 20 0 EGADLP CC1(C)CCC[N@@H+]1CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000457066946 458853713 /nfs/dbraw/zinc/85/37/13/458853713.db2.gz ZTVTZYPUTZFIQB-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP CC1(C)CCC[N@H+]1CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000457066946 458853717 /nfs/dbraw/zinc/85/37/17/458853717.db2.gz ZTVTZYPUTZFIQB-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP C[C@@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000495433706 458855577 /nfs/dbraw/zinc/85/55/77/458855577.db2.gz IWMMGGBJPWYAAA-HUUCEWRRSA-N 2 2 336.480 3.069 20 0 EGADLP C[C@@H]1CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000495433706 458855581 /nfs/dbraw/zinc/85/55/81/458855581.db2.gz IWMMGGBJPWYAAA-HUUCEWRRSA-N 2 2 336.480 3.069 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223316 458903164 /nfs/dbraw/zinc/90/31/64/458903164.db2.gz GSPVJVLLQKVHDE-YLJYHZDGSA-N 2 2 349.478 3.348 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C1 ZINC000441223316 458903168 /nfs/dbraw/zinc/90/31/68/458903168.db2.gz GSPVJVLLQKVHDE-YLJYHZDGSA-N 2 2 349.478 3.348 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000466891487 458930086 /nfs/dbraw/zinc/93/00/86/458930086.db2.gz RLJWBMUVNQNCDA-BWAGFHJFSA-N 2 2 338.495 3.009 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000466891487 458930092 /nfs/dbraw/zinc/93/00/92/458930092.db2.gz RLJWBMUVNQNCDA-BWAGFHJFSA-N 2 2 338.495 3.009 20 0 EGADLP CCOc1c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(C)nn1CC(C)C ZINC000556202073 458936631 /nfs/dbraw/zinc/93/66/31/458936631.db2.gz LZAUMRJDHGHHEE-QGZVFWFLSA-N 2 2 336.524 3.066 20 0 EGADLP CCOc1c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)nn1CC(C)C ZINC000556202073 458936635 /nfs/dbraw/zinc/93/66/35/458936635.db2.gz LZAUMRJDHGHHEE-QGZVFWFLSA-N 2 2 336.524 3.066 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441414620 458937071 /nfs/dbraw/zinc/93/70/71/458937071.db2.gz KJEWKMRAWGQLGV-PKOBYXMFSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441414620 458937079 /nfs/dbraw/zinc/93/70/79/458937079.db2.gz KJEWKMRAWGQLGV-PKOBYXMFSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441414620 458937086 /nfs/dbraw/zinc/93/70/86/458937086.db2.gz KJEWKMRAWGQLGV-PKOBYXMFSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441414620 458937095 /nfs/dbraw/zinc/93/70/95/458937095.db2.gz KJEWKMRAWGQLGV-PKOBYXMFSA-N 2 2 341.499 3.191 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223743 458937802 /nfs/dbraw/zinc/93/78/02/458937802.db2.gz LEKMOOBCJMGEBR-PMUMKWKESA-N 2 2 328.435 3.145 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(-n2cccn2)c(F)c1 ZINC000556223743 458937810 /nfs/dbraw/zinc/93/78/10/458937810.db2.gz LEKMOOBCJMGEBR-PMUMKWKESA-N 2 2 328.435 3.145 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804380 458959901 /nfs/dbraw/zinc/95/99/01/458959901.db2.gz OLXANJFTSPEJGP-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804380 458959907 /nfs/dbraw/zinc/95/99/07/458959907.db2.gz OLXANJFTSPEJGP-WBVHZDCISA-N 2 2 339.524 3.096 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390466 458972793 /nfs/dbraw/zinc/97/27/93/458972793.db2.gz VYKLLCYPSBKFDM-RBUKOAKNSA-N 2 2 335.923 3.407 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000467390466 458972802 /nfs/dbraw/zinc/97/28/02/458972802.db2.gz VYKLLCYPSBKFDM-RBUKOAKNSA-N 2 2 335.923 3.407 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000556953073 459036548 /nfs/dbraw/zinc/03/65/48/459036548.db2.gz SIUVIZTUYAZHED-HXUWFJFHSA-N 2 2 332.451 3.362 20 0 EGADLP CSc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000442798233 459037566 /nfs/dbraw/zinc/03/75/66/459037566.db2.gz WDJYERGDQCKIHY-RDJZCZTQSA-N 2 2 349.544 3.002 20 0 EGADLP CSc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000442798233 459037577 /nfs/dbraw/zinc/03/75/77/459037577.db2.gz WDJYERGDQCKIHY-RDJZCZTQSA-N 2 2 349.544 3.002 20 0 EGADLP Cc1ccc(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000577485292 459040158 /nfs/dbraw/zinc/04/01/58/459040158.db2.gz RDAYHAUADVYYPX-IBGZPJMESA-N 2 2 337.467 3.155 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)C(C)C)cc1 ZINC000567176075 459059839 /nfs/dbraw/zinc/05/98/39/459059839.db2.gz AZLOOYVWSFEQTL-NBHGPNQESA-N 2 2 345.531 3.435 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C(C)C)cc1 ZINC000567176075 459059840 /nfs/dbraw/zinc/05/98/40/459059840.db2.gz AZLOOYVWSFEQTL-NBHGPNQESA-N 2 2 345.531 3.435 20 0 EGADLP CC(C)[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000594522315 459078475 /nfs/dbraw/zinc/07/84/75/459078475.db2.gz PMQHAUZHIDDMMO-KRWDZBQOSA-N 2 2 347.503 3.254 20 0 EGADLP Cc1noc(C(C)(C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000567351737 459091918 /nfs/dbraw/zinc/09/19/18/459091918.db2.gz UKNNGNYPJXTOSE-UHFFFAOYSA-N 2 2 328.460 3.389 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532762822 459140364 /nfs/dbraw/zinc/14/03/64/459140364.db2.gz AGRZRWNTVQNMQX-UIFIKXQLSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532762822 459140368 /nfs/dbraw/zinc/14/03/68/459140368.db2.gz AGRZRWNTVQNMQX-UIFIKXQLSA-N 2 2 330.516 3.428 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]CCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c(C)c1 ZINC000479539928 459147676 /nfs/dbraw/zinc/14/76/76/459147676.db2.gz HWWUBCKWQNMGSF-CALCHBBNSA-N 2 2 329.488 3.374 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c(C)c1 ZINC000479539928 459147683 /nfs/dbraw/zinc/14/76/83/459147683.db2.gz HWWUBCKWQNMGSF-CALCHBBNSA-N 2 2 329.488 3.374 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000480035988 459179465 /nfs/dbraw/zinc/17/94/65/459179465.db2.gz GQHTZFXXHSVORF-FXAWDEMLSA-N 2 2 334.504 3.483 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000480035988 459179468 /nfs/dbraw/zinc/17/94/68/459179468.db2.gz GQHTZFXXHSVORF-FXAWDEMLSA-N 2 2 334.504 3.483 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000567913569 459189648 /nfs/dbraw/zinc/18/96/48/459189648.db2.gz FLCGCUBJSVHPHN-LJQANCHMSA-N 2 2 340.471 3.170 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000567913569 459189655 /nfs/dbraw/zinc/18/96/55/459189655.db2.gz FLCGCUBJSVHPHN-LJQANCHMSA-N 2 2 340.471 3.170 20 0 EGADLP C[N@H+](CC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1 ZINC000522058608 459208991 /nfs/dbraw/zinc/20/89/91/459208991.db2.gz ZYNAJTRTTZKVJJ-UHFFFAOYSA-N 2 2 347.409 3.015 20 0 EGADLP C[N@@H+](CC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1 ZINC000522058608 459208995 /nfs/dbraw/zinc/20/89/95/459208995.db2.gz ZYNAJTRTTZKVJJ-UHFFFAOYSA-N 2 2 347.409 3.015 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000558790833 459211606 /nfs/dbraw/zinc/21/16/06/459211606.db2.gz WTASRHAYVBZGKG-OPYAIIAOSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000558790833 459211613 /nfs/dbraw/zinc/21/16/13/459211613.db2.gz WTASRHAYVBZGKG-OPYAIIAOSA-N 2 2 330.516 3.487 20 0 EGADLP C/C(=C\c1ccccc1)CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000533452749 459239032 /nfs/dbraw/zinc/23/90/32/459239032.db2.gz KUEVTRXNRZPVEM-XMJIKXADSA-N 2 2 336.483 3.159 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccn1 ZINC000559246927 459245027 /nfs/dbraw/zinc/24/50/27/459245027.db2.gz JJUHCIRFAMDZIT-CVEARBPZSA-N 2 2 340.471 3.361 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1Oc1ccccc1)C1CC1 ZINC000568255007 459259443 /nfs/dbraw/zinc/25/94/43/459259443.db2.gz YMUDZYALWYXVLA-SFHVURJKSA-N 2 2 326.440 3.024 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1Oc1ccccc1)C1CC1 ZINC000568255007 459259447 /nfs/dbraw/zinc/25/94/47/459259447.db2.gz YMUDZYALWYXVLA-SFHVURJKSA-N 2 2 326.440 3.024 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000481651766 459267579 /nfs/dbraw/zinc/26/75/79/459267579.db2.gz QVXKNDOWTZEBCQ-CABCVRRESA-N 2 2 344.421 3.194 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)[C@@H]1SC ZINC000590957350 459281579 /nfs/dbraw/zinc/28/15/79/459281579.db2.gz NHWSDIITQPBWOE-BMFAXAFESA-N 2 2 345.512 3.203 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n1C ZINC000582014091 459291686 /nfs/dbraw/zinc/29/16/86/459291686.db2.gz HDLFBRIZRQJEQU-UHFFFAOYSA-N 2 2 349.360 3.223 20 0 EGADLP C[N@H+](CCCc1c(Cl)cccc1Cl)C1CC[NH+](CCO)CC1 ZINC000482137967 459291656 /nfs/dbraw/zinc/29/16/56/459291656.db2.gz BNSTYEJAQADODV-UHFFFAOYSA-N 2 2 345.314 3.315 20 0 EGADLP C[N@@H+](CCCc1c(Cl)cccc1Cl)C1CC[NH+](CCO)CC1 ZINC000482137967 459291657 /nfs/dbraw/zinc/29/16/57/459291657.db2.gz BNSTYEJAQADODV-UHFFFAOYSA-N 2 2 345.314 3.315 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)ccn12 ZINC000582071258 459302727 /nfs/dbraw/zinc/30/27/27/459302727.db2.gz MOMQKQOPMBRPMQ-LJQANCHMSA-N 2 2 348.450 3.210 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000568628229 459319287 /nfs/dbraw/zinc/31/92/87/459319287.db2.gz PDLRMUCJERAEQJ-LPHOPBHVSA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000568628229 459319293 /nfs/dbraw/zinc/31/92/93/459319293.db2.gz PDLRMUCJERAEQJ-LPHOPBHVSA-N 2 2 334.529 3.222 20 0 EGADLP CC(C)(C)OC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595507876 459328948 /nfs/dbraw/zinc/32/89/48/459328948.db2.gz BQWKGKBNLYNMEC-UHFFFAOYSA-N 2 2 332.488 3.363 20 0 EGADLP CC(C)COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000568782349 459345328 /nfs/dbraw/zinc/34/53/28/459345328.db2.gz NXCCPJONGREIQZ-HXUWFJFHSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000568782349 459345333 /nfs/dbraw/zinc/34/53/33/459345333.db2.gz NXCCPJONGREIQZ-HXUWFJFHSA-N 2 2 346.515 3.408 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cc1 ZINC000568831588 459350605 /nfs/dbraw/zinc/35/06/05/459350605.db2.gz ILOUYSGRUURWPP-IOMROCGXSA-N 2 2 341.499 3.388 20 0 EGADLP C[C@@H]1CCC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000540808325 459388589 /nfs/dbraw/zinc/38/85/89/459388589.db2.gz RHLIQIQVTYORRY-HZPDHXFCSA-N 2 2 342.487 3.428 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]C1 ZINC000560943319 459407480 /nfs/dbraw/zinc/40/74/80/459407480.db2.gz SBMNAMWMPKLFON-TZMCWYRMSA-N 2 2 345.468 3.017 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(OC2CCCC2)c1 ZINC000484494952 459416447 /nfs/dbraw/zinc/41/64/47/459416447.db2.gz NADQZIZVIZKVMH-DNVCBOLYSA-N 2 2 332.488 3.446 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(OC2CCCC2)c1 ZINC000484494952 459416451 /nfs/dbraw/zinc/41/64/51/459416451.db2.gz NADQZIZVIZKVMH-DNVCBOLYSA-N 2 2 332.488 3.446 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867302 459457711 /nfs/dbraw/zinc/45/77/11/459457711.db2.gz OGELTGBXWLPCMY-OKZBNKHCSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867302 459457713 /nfs/dbraw/zinc/45/77/13/459457713.db2.gz OGELTGBXWLPCMY-OKZBNKHCSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c2cccc(F)c2[nH+]1 ZINC000583392205 459532157 /nfs/dbraw/zinc/53/21/57/459532157.db2.gz YRUCZYZZQWPOEA-INIZCTEOSA-N 2 2 343.446 3.373 20 0 EGADLP CC(C)(C)OC(=O)CCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000542258257 459539877 /nfs/dbraw/zinc/53/98/77/459539877.db2.gz NRQPMHYFINHUGH-UHFFFAOYSA-N 2 2 333.476 3.470 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054916 459618034 /nfs/dbraw/zinc/61/80/34/459618034.db2.gz KNRFTUNJFHHVRG-QGZVFWFLSA-N 2 2 340.471 3.433 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054916 459618040 /nfs/dbraw/zinc/61/80/40/459618040.db2.gz KNRFTUNJFHHVRG-QGZVFWFLSA-N 2 2 340.471 3.433 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054916 459618043 /nfs/dbraw/zinc/61/80/43/459618043.db2.gz KNRFTUNJFHHVRG-QGZVFWFLSA-N 2 2 340.471 3.433 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499054916 459618047 /nfs/dbraw/zinc/61/80/47/459618047.db2.gz KNRFTUNJFHHVRG-QGZVFWFLSA-N 2 2 340.471 3.433 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000562748976 459640195 /nfs/dbraw/zinc/64/01/95/459640195.db2.gz BMMIVMPTBZPGRO-RDTXWAMCSA-N 2 2 338.411 3.090 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccco1 ZINC000573457819 459681010 /nfs/dbraw/zinc/68/10/10/459681010.db2.gz GLXLIYUIQYIBLT-XJKSGUPXSA-N 2 2 340.427 3.095 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655393 459687158 /nfs/dbraw/zinc/68/71/58/459687158.db2.gz DIDNTHBUGNIWFV-JOYOIKCWSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527655393 459687163 /nfs/dbraw/zinc/68/71/63/459687163.db2.gz DIDNTHBUGNIWFV-JOYOIKCWSA-N 2 2 333.220 3.157 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675296 459695483 /nfs/dbraw/zinc/69/54/83/459695483.db2.gz RYJBDVIGDCEQQE-FZMZJTMJSA-N 2 2 328.378 3.429 20 0 EGADLP COc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675296 459695488 /nfs/dbraw/zinc/69/54/88/459695488.db2.gz RYJBDVIGDCEQQE-FZMZJTMJSA-N 2 2 328.378 3.429 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418345 459733805 /nfs/dbraw/zinc/73/38/05/459733805.db2.gz QQTYIGFUJYPFAU-IRXDYDNUSA-N 2 2 329.488 3.164 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418345 459733812 /nfs/dbraw/zinc/73/38/12/459733812.db2.gz QQTYIGFUJYPFAU-IRXDYDNUSA-N 2 2 329.488 3.164 20 0 EGADLP COC(=O)c1oc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)cc1C ZINC000597043113 459822990 /nfs/dbraw/zinc/82/29/90/459822990.db2.gz HTOBXDDZOUIKFM-UHFFFAOYSA-N 2 2 341.411 3.213 20 0 EGADLP C[C@H](C[C@H](C)[NH3+])NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000566257686 459830804 /nfs/dbraw/zinc/83/08/04/459830804.db2.gz LJPDEKZHNFAKLE-LSDHHAIUSA-N 2 2 342.487 3.326 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000566298906 459837802 /nfs/dbraw/zinc/83/78/02/459837802.db2.gz JXJJYDCEDUAQRP-UWVAXJGDSA-N 2 2 327.472 3.360 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000566298906 459837804 /nfs/dbraw/zinc/83/78/04/459837804.db2.gz JXJJYDCEDUAQRP-UWVAXJGDSA-N 2 2 327.472 3.360 20 0 EGADLP COC(=O)[C@@H]1CC12CC[NH+](Cc1[nH+]c(C(C)C)n3ccccc13)CC2 ZINC000593576008 459926191 /nfs/dbraw/zinc/92/61/91/459926191.db2.gz LKPCJXGTHISYDW-HNNXBMFYSA-N 2 2 341.455 3.233 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690551 459970122 /nfs/dbraw/zinc/97/01/22/459970122.db2.gz ZPRUBXAQUXECBV-RHSMWYFYSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000588690551 459970128 /nfs/dbraw/zinc/97/01/28/459970128.db2.gz ZPRUBXAQUXECBV-RHSMWYFYSA-N 2 2 334.410 3.108 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782145 460061152 /nfs/dbraw/zinc/06/11/52/460061152.db2.gz NBKLFONFXGQCAU-NQIIRXRSSA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000621782145 460061157 /nfs/dbraw/zinc/06/11/57/460061157.db2.gz NBKLFONFXGQCAU-NQIIRXRSSA-N 2 2 335.451 3.252 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000576337133 460120956 /nfs/dbraw/zinc/12/09/56/460120956.db2.gz ACHOATWZZKSQIA-OAHLLOKOSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000576337133 460120960 /nfs/dbraw/zinc/12/09/60/460120960.db2.gz ACHOATWZZKSQIA-OAHLLOKOSA-N 2 2 326.843 3.166 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625329942 460131814 /nfs/dbraw/zinc/13/18/14/460131814.db2.gz KTHVAEUKPPWOAC-RDTXWAMCSA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(O)ccc2Cl)[C@H](C)C1 ZINC000625329942 460131817 /nfs/dbraw/zinc/13/18/17/460131817.db2.gz KTHVAEUKPPWOAC-RDTXWAMCSA-N 2 2 340.895 3.272 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006144 460158710 /nfs/dbraw/zinc/15/87/10/460158710.db2.gz VTDVWLHFBOCRGT-PZJWPPBQSA-N 2 2 338.499 3.170 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006144 460158719 /nfs/dbraw/zinc/15/87/19/460158719.db2.gz VTDVWLHFBOCRGT-PZJWPPBQSA-N 2 2 338.499 3.170 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000625960616 460316132 /nfs/dbraw/zinc/31/61/32/460316132.db2.gz RLTORYICHDQDSO-IBGZPJMESA-N 2 2 328.500 3.293 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C/C[N@H+]1CCOC[C@H]1CC(C)C ZINC000603713039 460335461 /nfs/dbraw/zinc/33/54/61/460335461.db2.gz BDRNTGNRFIROOV-BGEOSOQGSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C/C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000603713039 460335464 /nfs/dbraw/zinc/33/54/64/460335464.db2.gz BDRNTGNRFIROOV-BGEOSOQGSA-N 2 2 338.536 3.036 20 0 EGADLP CC[N@H+](Cc1ncnn1C(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062723 460357750 /nfs/dbraw/zinc/35/77/50/460357750.db2.gz DFBCBRMZEGBJHC-UHFFFAOYSA-N 2 2 329.492 3.117 20 0 EGADLP CC[N@@H+](Cc1ncnn1C(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062723 460357755 /nfs/dbraw/zinc/35/77/55/460357755.db2.gz DFBCBRMZEGBJHC-UHFFFAOYSA-N 2 2 329.492 3.117 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000626089383 460367531 /nfs/dbraw/zinc/36/75/31/460367531.db2.gz OCBOLWFQGFTCPB-INIZCTEOSA-N 2 2 330.463 3.389 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000623089434 460407906 /nfs/dbraw/zinc/40/79/06/460407906.db2.gz HFRYKTBIKKBWSF-UHFFFAOYSA-N 3 2 343.506 3.350 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000634678007 460472149 /nfs/dbraw/zinc/47/21/49/460472149.db2.gz FIKVLDIHOSWMSL-PKOBYXMFSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623342999 460498929 /nfs/dbraw/zinc/49/89/29/460498929.db2.gz YPXFHLLQLQJORA-UHFFFAOYSA-N 2 2 344.409 3.479 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1nccn1C ZINC000631664909 460499876 /nfs/dbraw/zinc/49/98/76/460499876.db2.gz RZBWQAMDWMVBNH-QRQLOZEOSA-N 2 2 326.488 3.229 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1nccn1C ZINC000631664909 460499882 /nfs/dbraw/zinc/49/98/82/460499882.db2.gz RZBWQAMDWMVBNH-QRQLOZEOSA-N 2 2 326.488 3.229 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000623898025 460766923 /nfs/dbraw/zinc/76/69/23/460766923.db2.gz XNRIMCHJAPDISF-CHWSQXEVSA-N 2 2 348.384 3.463 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccccc1Cl ZINC000607142102 460795260 /nfs/dbraw/zinc/79/52/60/460795260.db2.gz GNFGNWWRJRIGMY-OAHLLOKOSA-N 2 2 342.834 3.031 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000624122340 460872633 /nfs/dbraw/zinc/87/26/33/460872633.db2.gz OOHVBHXQWRUVQI-QWRGUYRKSA-N 2 2 332.311 3.288 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000624122340 460872639 /nfs/dbraw/zinc/87/26/39/460872639.db2.gz OOHVBHXQWRUVQI-QWRGUYRKSA-N 2 2 332.311 3.288 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000624122338 460872940 /nfs/dbraw/zinc/87/29/40/460872940.db2.gz OOHVBHXQWRUVQI-GHMZBOCLSA-N 2 2 332.311 3.288 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000624122338 460872947 /nfs/dbraw/zinc/87/29/47/460872947.db2.gz OOHVBHXQWRUVQI-GHMZBOCLSA-N 2 2 332.311 3.288 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702880 460875144 /nfs/dbraw/zinc/87/51/44/460875144.db2.gz VRFAMEZJOUYDBQ-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([C@@H]3[NH2+]CCNC3=O)c2)cc1 ZINC000629702880 460875146 /nfs/dbraw/zinc/87/51/46/460875146.db2.gz VRFAMEZJOUYDBQ-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP COc1cc(C)c(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)cc1C ZINC000629711169 460882017 /nfs/dbraw/zinc/88/20/17/460882017.db2.gz RUCMGSWJRJBICR-UHFFFAOYSA-N 2 2 336.439 3.495 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000607946403 460944938 /nfs/dbraw/zinc/94/49/38/460944938.db2.gz CZKMSEZKFZRSPF-YJBOKZPZSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000607946403 460944942 /nfs/dbraw/zinc/94/49/42/460944942.db2.gz CZKMSEZKFZRSPF-YJBOKZPZSA-N 2 2 349.906 3.030 20 0 EGADLP Cc1cc(NC(=O)C2(C[NH+](C)C)CC2)ccc1Oc1cc[nH+]cc1 ZINC000635867099 460956052 /nfs/dbraw/zinc/95/60/52/460956052.db2.gz MZSVBMYTAVSZNP-UHFFFAOYSA-N 2 2 325.412 3.463 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624335454 460964451 /nfs/dbraw/zinc/96/44/51/460964451.db2.gz RSDNYUSBHMJWIN-JSGCOSHPSA-N 2 2 348.434 3.058 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(SCC(F)(F)F)cc1 ZINC000624335454 460964456 /nfs/dbraw/zinc/96/44/56/460964456.db2.gz RSDNYUSBHMJWIN-JSGCOSHPSA-N 2 2 348.434 3.058 20 0 EGADLP Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000617753381 460966694 /nfs/dbraw/zinc/96/66/94/460966694.db2.gz BDAIANGLYFLMFN-HNNXBMFYSA-N 2 2 327.428 3.252 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000633181120 460991342 /nfs/dbraw/zinc/99/13/42/460991342.db2.gz GKNNEBUAOWCXHA-HNNXBMFYSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@H+](C2CCC2)C1 ZINC000633181120 460991346 /nfs/dbraw/zinc/99/13/46/460991346.db2.gz GKNNEBUAOWCXHA-HNNXBMFYSA-N 2 2 338.455 3.023 20 0 EGADLP Cc1cn2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)cc2[nH+]1 ZINC000635996178 461000904 /nfs/dbraw/zinc/00/09/04/461000904.db2.gz BLAONJXZRDYAPE-SFHVURJKSA-N 2 2 334.423 3.444 20 0 EGADLP Cc1[nH]c(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000628126785 461010153 /nfs/dbraw/zinc/01/01/53/461010153.db2.gz IBBQZAYSZCZKHT-UHFFFAOYSA-N 2 2 332.879 3.388 20 0 EGADLP Cc1[nH]c(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000628126785 461010161 /nfs/dbraw/zinc/01/01/61/461010161.db2.gz IBBQZAYSZCZKHT-UHFFFAOYSA-N 2 2 332.879 3.388 20 0 EGADLP Cc1ccc([C@H](C)C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000628186544 461038313 /nfs/dbraw/zinc/03/83/13/461038313.db2.gz NRAIXJWNNLKEKQ-SVFBPWRDSA-N 2 2 329.532 3.056 20 0 EGADLP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000628186544 461038318 /nfs/dbraw/zinc/03/83/18/461038318.db2.gz NRAIXJWNNLKEKQ-SVFBPWRDSA-N 2 2 329.532 3.056 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2[nH+]1 ZINC000668151724 461138047 /nfs/dbraw/zinc/13/80/47/461138047.db2.gz NQNSHWHZUBOCLF-OAHLLOKOSA-N 2 2 343.456 3.129 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1[nH+]ccn1C(C)C)Cc1ccncc1 ZINC000668159220 461145758 /nfs/dbraw/zinc/14/57/58/461145758.db2.gz NTHZLHVRXWASML-LJQANCHMSA-N 2 2 341.503 3.346 20 0 EGADLP CC[N@H+]1CCC[C@@H]1CN(Cc1[nH+]ccn1C(C)C)Cc1ccncc1 ZINC000668159220 461145766 /nfs/dbraw/zinc/14/57/66/461145766.db2.gz NTHZLHVRXWASML-LJQANCHMSA-N 2 2 341.503 3.346 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980735 461169531 /nfs/dbraw/zinc/16/95/31/461169531.db2.gz ZVJWXQDNHZFNQK-ZIFCJYIRSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980735 461169540 /nfs/dbraw/zinc/16/95/40/461169540.db2.gz ZVJWXQDNHZFNQK-ZIFCJYIRSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980735 461169548 /nfs/dbraw/zinc/16/95/48/461169548.db2.gz ZVJWXQDNHZFNQK-ZIFCJYIRSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980735 461169554 /nfs/dbraw/zinc/16/95/54/461169554.db2.gz ZVJWXQDNHZFNQK-ZIFCJYIRSA-N 2 2 330.520 3.458 20 0 EGADLP C[N@H+](CC1CCSCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000637983403 461172867 /nfs/dbraw/zinc/17/28/67/461172867.db2.gz ONSPGORNBGNVGX-UHFFFAOYSA-N 2 2 333.545 3.164 20 0 EGADLP C[N@@H+](CC1CCSCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000637983403 461172876 /nfs/dbraw/zinc/17/28/76/461172876.db2.gz ONSPGORNBGNVGX-UHFFFAOYSA-N 2 2 333.545 3.164 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633673778 461189973 /nfs/dbraw/zinc/18/99/73/461189973.db2.gz SXANPCNGQWIOHQ-GOSISDBHSA-N 2 2 338.455 3.214 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633673778 461189982 /nfs/dbraw/zinc/18/99/82/461189982.db2.gz SXANPCNGQWIOHQ-GOSISDBHSA-N 2 2 338.455 3.214 20 0 EGADLP Fc1c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cccc1OC1CC1 ZINC000668298627 461234716 /nfs/dbraw/zinc/23/47/16/461234716.db2.gz FOAHVJSLJKXGAR-KRWDZBQOSA-N 2 2 348.462 3.054 20 0 EGADLP Fc1c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cccc1OC1CC1 ZINC000668298627 461234725 /nfs/dbraw/zinc/23/47/25/461234725.db2.gz FOAHVJSLJKXGAR-KRWDZBQOSA-N 2 2 348.462 3.054 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109161 461244704 /nfs/dbraw/zinc/24/47/04/461244704.db2.gz CUABIWUIYCALND-GXTWGEPZSA-N 2 2 326.868 3.359 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109161 461244709 /nfs/dbraw/zinc/24/47/09/461244709.db2.gz CUABIWUIYCALND-GXTWGEPZSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109161 461244713 /nfs/dbraw/zinc/24/47/13/461244713.db2.gz CUABIWUIYCALND-GXTWGEPZSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109161 461244716 /nfs/dbraw/zinc/24/47/16/461244716.db2.gz CUABIWUIYCALND-GXTWGEPZSA-N 2 2 326.868 3.359 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630746602 461283404 /nfs/dbraw/zinc/28/34/04/461283404.db2.gz DLFDWIXYTUDOEN-INIZCTEOSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630746602 461283410 /nfs/dbraw/zinc/28/34/10/461283410.db2.gz DLFDWIXYTUDOEN-INIZCTEOSA-N 2 2 340.471 3.461 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)c3cccc4c3C[NH2+]C4)ccc2n1C1CC1 ZINC000662546296 461291304 /nfs/dbraw/zinc/29/13/04/461291304.db2.gz IHXZLKDTXNYAFV-UHFFFAOYSA-N 2 2 346.434 3.213 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1nc2ccccc2n1C(F)F ZINC000641706137 461328177 /nfs/dbraw/zinc/32/81/77/461328177.db2.gz YKCMCKSNGAADOF-LLVKDONJSA-N 2 2 348.401 3.082 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(OC(F)F)c1 ZINC000655691576 461365836 /nfs/dbraw/zinc/36/58/36/461365836.db2.gz VTNHOJUZZXJEMU-CZUORRHYSA-N 2 2 340.414 3.192 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nc2ccccc2[nH]1 ZINC000655700929 461371985 /nfs/dbraw/zinc/37/19/85/461371985.db2.gz RBXRFXKKWPGIMG-LPHOPBHVSA-N 2 2 342.487 3.103 20 0 EGADLP Cn1c2ccc(NC(=O)c3cccc4c3CC[NH2+]C4)cc2[nH+]c1C1CC1 ZINC000662797099 461372587 /nfs/dbraw/zinc/37/25/87/461372587.db2.gz VJNQNTFMNGEMPW-UHFFFAOYSA-N 2 2 346.434 3.349 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000655712341 461382837 /nfs/dbraw/zinc/38/28/37/461382837.db2.gz RGMPRANXMARCLU-UHFFFAOYSA-N 2 2 338.499 3.453 20 0 EGADLP CSc1ccc(F)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655718684 461386613 /nfs/dbraw/zinc/38/66/13/461386613.db2.gz PITSLISISYTWTH-QGZVFWFLSA-N 2 2 338.492 3.281 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccn1 ZINC000655717463 461387873 /nfs/dbraw/zinc/38/78/73/461387873.db2.gz CWIAKYMKQHWIEF-QAPCUYQASA-N 2 2 336.439 3.458 20 0 EGADLP COc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000638385944 461400141 /nfs/dbraw/zinc/40/01/41/461400141.db2.gz MOENQOMXUMANKH-UHFFFAOYSA-N 2 2 335.448 3.045 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000655736775 461403785 /nfs/dbraw/zinc/40/37/85/461403785.db2.gz SBBVGPPSXZGMON-IUODEOHRSA-N 2 2 326.843 3.383 20 0 EGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000638390623 461403857 /nfs/dbraw/zinc/40/38/57/461403857.db2.gz KVXZZJIVVGHBRX-UHFFFAOYSA-N 2 2 328.456 3.272 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655744046 461409217 /nfs/dbraw/zinc/40/92/17/461409217.db2.gz NSKJPOFDHUVJAK-XJKSGUPXSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655744046 461409224 /nfs/dbraw/zinc/40/92/24/461409224.db2.gz NSKJPOFDHUVJAK-XJKSGUPXSA-N 2 2 332.879 3.406 20 0 EGADLP Fc1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655752643 461417826 /nfs/dbraw/zinc/41/78/26/461417826.db2.gz NXTODVHCESQBHS-LPHOPBHVSA-N 2 2 348.462 3.272 20 0 EGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655758257 461424141 /nfs/dbraw/zinc/42/41/41/461424141.db2.gz UVNOWLYZGACJGB-TYPHKJRUSA-N 2 2 328.500 3.241 20 0 EGADLP Cc1ccc(SC[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655757847 461424446 /nfs/dbraw/zinc/42/44/46/461424446.db2.gz YKQOXCGCXGOMMK-SJLPKXTDSA-N 2 2 334.529 3.319 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655768694 461432214 /nfs/dbraw/zinc/43/22/14/461432214.db2.gz MHEJSRYDWCNYMK-KRWDZBQOSA-N 2 2 341.459 3.110 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000653084623 461494222 /nfs/dbraw/zinc/49/42/22/461494222.db2.gz MJVVMQMTLSLJMG-MOPGFXCFSA-N 2 2 331.504 3.093 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655849922 461498193 /nfs/dbraw/zinc/49/81/93/461498193.db2.gz QWLAJQLJGNBCSW-VDGAXYAQSA-N 2 2 332.488 3.379 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655849922 461498197 /nfs/dbraw/zinc/49/81/97/461498197.db2.gz QWLAJQLJGNBCSW-VDGAXYAQSA-N 2 2 332.488 3.379 20 0 EGADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000638602167 461500327 /nfs/dbraw/zinc/50/03/27/461500327.db2.gz SKKKXHWCRGAJBH-NUJGCVRESA-N 2 2 331.504 3.153 20 0 EGADLP CC[N@@H+](Cc1cc(OC)ns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659969355 461522862 /nfs/dbraw/zinc/52/28/62/461522862.db2.gz AXLSZJISFWBSJW-KRWDZBQOSA-N 2 2 345.512 3.496 20 0 EGADLP CC[N@H+](Cc1cc(OC)ns1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659969355 461522870 /nfs/dbraw/zinc/52/28/70/461522870.db2.gz AXLSZJISFWBSJW-KRWDZBQOSA-N 2 2 345.512 3.496 20 0 EGADLP CC[NH+](Cc1cc(OC)ns1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659969355 461522878 /nfs/dbraw/zinc/52/28/78/461522878.db2.gz AXLSZJISFWBSJW-KRWDZBQOSA-N 2 2 345.512 3.496 20 0 EGADLP CC[NH+](Cc1cc(OC)ns1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659969355 461522886 /nfs/dbraw/zinc/52/28/86/461522886.db2.gz AXLSZJISFWBSJW-KRWDZBQOSA-N 2 2 345.512 3.496 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000631080408 461530917 /nfs/dbraw/zinc/53/09/17/461530917.db2.gz PTCBTSZLWXPRLL-JQWIXIFHSA-N 2 2 345.256 3.169 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1Br ZINC000631080408 461530925 /nfs/dbraw/zinc/53/09/25/461530925.db2.gz PTCBTSZLWXPRLL-JQWIXIFHSA-N 2 2 345.256 3.169 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccnn2CC(C)C)cc1F ZINC000647175525 461545958 /nfs/dbraw/zinc/54/59/58/461545958.db2.gz VCWNBFQIYKLNCZ-UHFFFAOYSA-N 2 2 341.434 3.462 20 0 EGADLP COc1ccc([C@@H](CNc2cc(CO)cc(C)[nH+]2)[NH+]2CCCC2)cc1 ZINC000663321446 461558319 /nfs/dbraw/zinc/55/83/19/461558319.db2.gz CMADXCCYVWTURK-LJQANCHMSA-N 2 2 341.455 3.140 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660077790 461572944 /nfs/dbraw/zinc/57/29/44/461572944.db2.gz QEFRFZNUKXRFGV-BBRMVZONSA-N 2 2 342.468 3.092 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660077790 461572948 /nfs/dbraw/zinc/57/29/48/461572948.db2.gz QEFRFZNUKXRFGV-BBRMVZONSA-N 2 2 342.468 3.092 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663346712 461576669 /nfs/dbraw/zinc/57/66/69/461576669.db2.gz DCIUCALOSABDKI-OAQYLSRUSA-N 3 2 341.543 3.363 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663346712 461576675 /nfs/dbraw/zinc/57/66/75/461576675.db2.gz DCIUCALOSABDKI-OAQYLSRUSA-N 3 2 341.543 3.363 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cn21 ZINC000647262621 461597753 /nfs/dbraw/zinc/59/77/53/461597753.db2.gz HHDQONSUKPBPRK-DYESRHJHSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)cn21 ZINC000647262621 461597758 /nfs/dbraw/zinc/59/77/58/461597758.db2.gz HHDQONSUKPBPRK-DYESRHJHSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc(C)nc(C)n1 ZINC000660127252 461600087 /nfs/dbraw/zinc/60/00/87/461600087.db2.gz KIYZSUIUUDQGDE-SFHVURJKSA-N 2 2 335.455 3.416 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc(C)nc(C)n1 ZINC000660127252 461600095 /nfs/dbraw/zinc/60/00/95/461600095.db2.gz KIYZSUIUUDQGDE-SFHVURJKSA-N 2 2 335.455 3.416 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)CCC2)c1 ZINC000643065578 461601406 /nfs/dbraw/zinc/60/14/06/461601406.db2.gz CTZAXAJGORJDJX-ICSRJNTNSA-N 2 2 344.499 3.066 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4CC[NH2+][C@H]4C3)CCC2)c1 ZINC000643065578 461601414 /nfs/dbraw/zinc/60/14/14/461601414.db2.gz CTZAXAJGORJDJX-ICSRJNTNSA-N 2 2 344.499 3.066 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826810 461603544 /nfs/dbraw/zinc/60/35/44/461603544.db2.gz VFKYAEZSJKTSGI-BMGDILEWSA-N 2 2 340.870 3.487 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826810 461603549 /nfs/dbraw/zinc/60/35/49/461603549.db2.gz VFKYAEZSJKTSGI-BMGDILEWSA-N 2 2 340.870 3.487 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000631171253 461609858 /nfs/dbraw/zinc/60/98/58/461609858.db2.gz PFAVJKXCEMSLPG-RBUKOAKNSA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000631171253 461609863 /nfs/dbraw/zinc/60/98/63/461609863.db2.gz PFAVJKXCEMSLPG-RBUKOAKNSA-N 2 2 343.515 3.271 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000631181250 461619842 /nfs/dbraw/zinc/61/98/42/461619842.db2.gz OJPXEQFKPBOTET-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000631181250 461619850 /nfs/dbraw/zinc/61/98/50/461619850.db2.gz OJPXEQFKPBOTET-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204208 461638127 /nfs/dbraw/zinc/63/81/27/461638127.db2.gz ZPIGFTDFDFPYBK-OXQOHEQNSA-N 2 2 327.472 3.100 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204208 461638131 /nfs/dbraw/zinc/63/81/31/461638131.db2.gz ZPIGFTDFDFPYBK-OXQOHEQNSA-N 2 2 327.472 3.100 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCN2CCc3c([nH+]cn3-c3ccccc3)C2)C1 ZINC000660221087 461646655 /nfs/dbraw/zinc/64/66/55/461646655.db2.gz LVNHCLFTLKZTKP-ROUUACIJSA-N 2 2 338.499 3.208 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000656262235 461689199 /nfs/dbraw/zinc/68/91/99/461689199.db2.gz RLCDNSVUXZIDFM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000656262235 461689208 /nfs/dbraw/zinc/68/92/08/461689208.db2.gz RLCDNSVUXZIDFM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000656262235 461689217 /nfs/dbraw/zinc/68/92/17/461689217.db2.gz RLCDNSVUXZIDFM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000656262235 461689225 /nfs/dbraw/zinc/68/92/25/461689225.db2.gz RLCDNSVUXZIDFM-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP C[NH+](C)CC[C@H](NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C(C)(C)C ZINC000631346552 461723386 /nfs/dbraw/zinc/72/33/86/461723386.db2.gz NBZZPXABKRHKLO-KRWDZBQOSA-N 2 2 328.460 3.173 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])s2)cc1OC ZINC000643529314 461753921 /nfs/dbraw/zinc/75/39/21/461753921.db2.gz YLUGFLABEGYYPN-VXGBXAGGSA-N 2 2 349.500 3.057 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643529981 461754599 /nfs/dbraw/zinc/75/45/99/461754599.db2.gz TWCWLGLRXYOIAN-KCXAZCMYSA-N 2 2 341.293 3.257 20 0 EGADLP Clc1ccc(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1Cl ZINC000647541274 461755021 /nfs/dbraw/zinc/75/50/21/461755021.db2.gz VRMWJVUAINPBKV-LLVKDONJSA-N 2 2 348.705 3.126 20 0 EGADLP Clc1ccc(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1Cl ZINC000647541274 461755027 /nfs/dbraw/zinc/75/50/27/461755027.db2.gz VRMWJVUAINPBKV-LLVKDONJSA-N 2 2 348.705 3.126 20 0 EGADLP CC(C)c1ccc2ncnc(NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000663691856 461756992 /nfs/dbraw/zinc/75/69/92/461756992.db2.gz ODRXUVLEPRNRNO-UHFFFAOYSA-N 2 2 341.503 3.191 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(C)cc1 ZINC000643546784 461759856 /nfs/dbraw/zinc/75/98/56/461759856.db2.gz UUZSXJDUTDALJL-WBVHZDCISA-N 2 2 339.487 3.209 20 0 EGADLP FC(F)(F)c1cnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543773 461759943 /nfs/dbraw/zinc/75/99/43/461759943.db2.gz RTZZMZNQUXNZMX-NEPJUHHUSA-N 2 2 333.423 3.374 20 0 EGADLP FC(F)(F)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543773 461759953 /nfs/dbraw/zinc/75/99/53/461759953.db2.gz RTZZMZNQUXNZMX-NEPJUHHUSA-N 2 2 333.423 3.374 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000643547009 461759928 /nfs/dbraw/zinc/75/99/28/461759928.db2.gz YICNFDAUMWXQHS-CJNGLKHVSA-N 2 2 343.450 3.040 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660429664 461773413 /nfs/dbraw/zinc/77/34/13/461773413.db2.gz JNNUHBSCMWVEDK-UHFFFAOYSA-N 2 2 326.440 3.450 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769659 461795549 /nfs/dbraw/zinc/79/55/49/461795549.db2.gz AFWBEPSRBIETGO-SFHVURJKSA-N 2 2 346.906 3.433 20 0 EGADLP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666770702 461795887 /nfs/dbraw/zinc/79/58/87/461795887.db2.gz RTMHQGLQZXVOIC-OAHLLOKOSA-N 2 2 338.377 3.327 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C(C)(C)C ZINC000639331153 461864282 /nfs/dbraw/zinc/86/42/82/461864282.db2.gz QCSSXHRKVPUIFA-SFHVURJKSA-N 2 2 346.515 3.024 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C(C)(C)C ZINC000639331153 461864290 /nfs/dbraw/zinc/86/42/90/461864290.db2.gz QCSSXHRKVPUIFA-SFHVURJKSA-N 2 2 346.515 3.024 20 0 EGADLP CSc1ccc([C@@H](CNc2cc(CO)cc(C)[nH+]2)[NH+](C)C)cc1 ZINC000663944479 461882578 /nfs/dbraw/zinc/88/25/78/461882578.db2.gz JGLQJOUXVPHLHM-QGZVFWFLSA-N 2 2 331.485 3.319 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000639374579 461894889 /nfs/dbraw/zinc/89/48/89/461894889.db2.gz HJTNWRJXYIXXLN-UHFFFAOYSA-N 3 2 330.501 3.384 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938758 461896450 /nfs/dbraw/zinc/89/64/50/461896450.db2.gz UEJMOLQWOIUITG-ZENOOKHLSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938758 461896453 /nfs/dbraw/zinc/89/64/53/461896453.db2.gz UEJMOLQWOIUITG-ZENOOKHLSA-N 2 2 332.423 3.304 20 0 EGADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647940217 461898700 /nfs/dbraw/zinc/89/87/00/461898700.db2.gz PQJVYFDAQNJVPL-LPHOPBHVSA-N 2 2 337.467 3.351 20 0 EGADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1[NH3+] ZINC000647940217 461898703 /nfs/dbraw/zinc/89/87/03/461898703.db2.gz PQJVYFDAQNJVPL-LPHOPBHVSA-N 2 2 337.467 3.351 20 0 EGADLP [NH3+]Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000650717573 461910035 /nfs/dbraw/zinc/91/00/35/461910035.db2.gz FYFXGGFCFWABDU-UHFFFAOYSA-N 3 2 327.447 3.039 20 0 EGADLP CCCOc1cccc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660698149 461928832 /nfs/dbraw/zinc/92/88/32/461928832.db2.gz NDDDMOBWVVMIDZ-UHFFFAOYSA-N 2 2 334.504 3.048 20 0 EGADLP CCCNC(=O)CCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857267 461996337 /nfs/dbraw/zinc/99/63/37/461996337.db2.gz JLHBUVUAPNCMAZ-UHFFFAOYSA-N 2 2 342.487 3.124 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000644593459 462003537 /nfs/dbraw/zinc/00/35/37/462003537.db2.gz ZPNIRIOEVRVKSR-AEFFLSMTSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000644593459 462003540 /nfs/dbraw/zinc/00/35/40/462003540.db2.gz ZPNIRIOEVRVKSR-AEFFLSMTSA-N 2 2 344.503 3.128 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000644626505 462015957 /nfs/dbraw/zinc/01/59/57/462015957.db2.gz ZYRIAMXMVBZDPG-AEFFLSMTSA-N 2 2 330.497 3.208 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000644626505 462015960 /nfs/dbraw/zinc/01/59/60/462015960.db2.gz ZYRIAMXMVBZDPG-AEFFLSMTSA-N 2 2 330.497 3.208 20 0 EGADLP Clc1cccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CCOCC2)c1 ZINC000657325477 462048400 /nfs/dbraw/zinc/04/84/00/462048400.db2.gz JLFWTIPYSLUVSV-UHFFFAOYSA-N 2 2 345.874 3.321 20 0 EGADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c[nH+]1 ZINC000657328081 462049541 /nfs/dbraw/zinc/04/95/41/462049541.db2.gz RAKMKBARPVVPCB-FQEVSTJZSA-N 2 2 349.434 3.330 20 0 EGADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1(C)C ZINC000639675449 462052420 /nfs/dbraw/zinc/05/24/20/462052420.db2.gz VGLMGZNWEJCARJ-UHFFFAOYSA-N 2 2 340.427 3.432 20 0 EGADLP C[N@H+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1(C)C ZINC000639675449 462052428 /nfs/dbraw/zinc/05/24/28/462052428.db2.gz VGLMGZNWEJCARJ-UHFFFAOYSA-N 2 2 340.427 3.432 20 0 EGADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3c[nH+]c4n3CCC4)c2)CC1 ZINC000657348872 462064551 /nfs/dbraw/zinc/06/45/51/462064551.db2.gz KLKKUVWQKJIOJS-UHFFFAOYSA-N 3 2 338.499 3.351 20 0 EGADLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657366031 462074672 /nfs/dbraw/zinc/07/46/72/462074672.db2.gz JXNONPDVZVYAGI-INIZCTEOSA-N 2 2 328.435 3.035 20 0 EGADLP Cc1cc(C[C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)n(-c2ccccc2)n1 ZINC000657414316 462108171 /nfs/dbraw/zinc/10/81/71/462108171.db2.gz WIMXTPSMISKLJY-HNNXBMFYSA-N 2 2 335.455 3.044 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cncc(Br)c2C)CC1 ZINC000667493949 462110165 /nfs/dbraw/zinc/11/01/65/462110165.db2.gz IMIJYJLQKFVWOF-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cncc(Br)c2C)CC1 ZINC000667493949 462110170 /nfs/dbraw/zinc/11/01/70/462110170.db2.gz IMIJYJLQKFVWOF-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797158 462116529 /nfs/dbraw/zinc/11/65/29/462116529.db2.gz IBLJFAPRMMAPCE-UHFFFAOYSA-N 2 2 333.439 3.204 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797158 462116534 /nfs/dbraw/zinc/11/65/34/462116534.db2.gz IBLJFAPRMMAPCE-UHFFFAOYSA-N 2 2 333.439 3.204 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000648462589 462131197 /nfs/dbraw/zinc/13/11/97/462131197.db2.gz PHQVWPGPOKBSLN-QZTJIDSGSA-N 2 2 325.456 3.395 20 0 EGADLP Brc1cncc([C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C2CC2)c1 ZINC000657459689 462138503 /nfs/dbraw/zinc/13/85/03/462138503.db2.gz BVJFMRQFGMKBNI-INIZCTEOSA-N 2 2 347.260 3.228 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561112 462144544 /nfs/dbraw/zinc/14/45/44/462144544.db2.gz LJGHWMKXBHGCDC-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561112 462144548 /nfs/dbraw/zinc/14/45/48/462144548.db2.gz LJGHWMKXBHGCDC-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561112 462144555 /nfs/dbraw/zinc/14/45/55/462144555.db2.gz LJGHWMKXBHGCDC-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561112 462144559 /nfs/dbraw/zinc/14/45/59/462144559.db2.gz LJGHWMKXBHGCDC-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP c1cn2c(n1)[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629218 462207143 /nfs/dbraw/zinc/20/71/43/462207143.db2.gz VARITUOJCOFWKU-ZGXWSNOMSA-N 2 2 336.483 3.218 20 0 EGADLP c1cn2c(n1)[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000648629218 462207150 /nfs/dbraw/zinc/20/71/50/462207150.db2.gz VARITUOJCOFWKU-ZGXWSNOMSA-N 2 2 336.483 3.218 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667700328 462221082 /nfs/dbraw/zinc/22/10/82/462221082.db2.gz YOLYWEUXXXYIEF-UWVAXJGDSA-N 2 2 343.471 3.380 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000667700328 462221090 /nfs/dbraw/zinc/22/10/90/462221090.db2.gz YOLYWEUXXXYIEF-UWVAXJGDSA-N 2 2 343.471 3.380 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CCC(Oc4cc[nH+]cc4C)CC3)c2c1C ZINC000645227709 462244099 /nfs/dbraw/zinc/24/40/99/462244099.db2.gz COJHWRYATSVEII-UHFFFAOYSA-N 2 2 337.427 3.326 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000657813867 462279522 /nfs/dbraw/zinc/27/95/22/462279522.db2.gz CGFPWCMPDHURSV-UHFFFAOYSA-N 3 2 347.469 3.115 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000657820991 462282510 /nfs/dbraw/zinc/28/25/10/462282510.db2.gz YCAADNGKXBNFSL-CABCVRRESA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)on1 ZINC000657820991 462282513 /nfs/dbraw/zinc/28/25/13/462282513.db2.gz YCAADNGKXBNFSL-CABCVRRESA-N 2 2 327.428 3.067 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824481 462284437 /nfs/dbraw/zinc/28/44/37/462284437.db2.gz JLDXGWZERUYSQC-UKRRQHHQSA-N 2 2 327.419 3.027 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824481 462284442 /nfs/dbraw/zinc/28/44/42/462284442.db2.gz JLDXGWZERUYSQC-UKRRQHHQSA-N 2 2 327.419 3.027 20 0 EGADLP CCCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000648999706 462365348 /nfs/dbraw/zinc/36/53/48/462365348.db2.gz HBNSXDWQVPXSPH-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP CCCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000648999706 462365353 /nfs/dbraw/zinc/36/53/53/462365353.db2.gz HBNSXDWQVPXSPH-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000668004612 462369362 /nfs/dbraw/zinc/36/93/62/462369362.db2.gz HTGSKDOHVZKCIN-ROUUACIJSA-N 2 2 340.471 3.167 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253178 462370951 /nfs/dbraw/zinc/37/09/51/462370951.db2.gz JFSMJKICQQIUNO-ZXYWRSMDSA-N 2 2 331.410 3.465 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093726 462380136 /nfs/dbraw/zinc/38/01/36/462380136.db2.gz WAUCRJCWBLRMPX-SJORKVTESA-N 2 2 331.504 3.483 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093726 462380139 /nfs/dbraw/zinc/38/01/39/462380139.db2.gz WAUCRJCWBLRMPX-SJORKVTESA-N 2 2 331.504 3.483 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000665296854 462390181 /nfs/dbraw/zinc/39/01/81/462390181.db2.gz YUMQUKIMPOXLPA-FOIQADDNSA-N 2 2 328.456 3.185 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000665298418 462390805 /nfs/dbraw/zinc/39/08/05/462390805.db2.gz VTISJNIGDGUVDF-MLGOLLRUSA-N 2 2 341.293 3.114 20 0 EGADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)OC1CCCC1 ZINC000658123191 462395196 /nfs/dbraw/zinc/39/51/96/462395196.db2.gz IQELZONURCLKFE-MRXNPFEDSA-N 2 2 334.426 3.341 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160192 462455480 /nfs/dbraw/zinc/45/54/80/462455480.db2.gz PUHWOYMDVCVTOG-XOKHGSTOSA-N 2 2 348.487 3.236 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160192 462455486 /nfs/dbraw/zinc/45/54/86/462455486.db2.gz PUHWOYMDVCVTOG-XOKHGSTOSA-N 2 2 348.487 3.236 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159020 462456048 /nfs/dbraw/zinc/45/60/48/462456048.db2.gz QBWYGBNVHFASIV-KMFMINBZSA-N 2 2 348.487 3.378 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159020 462456053 /nfs/dbraw/zinc/45/60/53/462456053.db2.gz QBWYGBNVHFASIV-KMFMINBZSA-N 2 2 348.487 3.378 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287542 462457418 /nfs/dbraw/zinc/45/74/18/462457418.db2.gz IZJGFHRXGMMGOM-QAPCUYQASA-N 2 2 332.492 3.351 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287542 462457421 /nfs/dbraw/zinc/45/74/21/462457421.db2.gz IZJGFHRXGMMGOM-QAPCUYQASA-N 2 2 332.492 3.351 20 0 EGADLP CSc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293890 462460328 /nfs/dbraw/zinc/46/03/28/462460328.db2.gz JUDITLABHVAZKY-CRAIPNDOSA-N 2 2 334.529 3.182 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000658296507 462462673 /nfs/dbraw/zinc/46/26/73/462462673.db2.gz SWFBOGYKDAXCSR-OXJNMPFZSA-N 2 2 348.462 3.128 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000658296505 462462808 /nfs/dbraw/zinc/46/28/08/462462808.db2.gz SWFBOGYKDAXCSR-JXFKEZNVSA-N 2 2 348.462 3.128 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000649401584 462499939 /nfs/dbraw/zinc/49/99/39/462499939.db2.gz GWLISQDNLJBOHM-LPHOPBHVSA-N 2 2 325.456 3.123 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)C[NH+]1CCCC1 ZINC000187028176 534126037 /nfs/dbraw/zinc/12/60/37/534126037.db2.gz NQRPOUJGPWGERW-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP COC(=O)c1coc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174403131 534314875 /nfs/dbraw/zinc/31/48/75/534314875.db2.gz ZGTAXVYTBDOWHT-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1coc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174403131 534314878 /nfs/dbraw/zinc/31/48/78/534314878.db2.gz ZGTAXVYTBDOWHT-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1coc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174403131 534314879 /nfs/dbraw/zinc/31/48/79/534314879.db2.gz ZGTAXVYTBDOWHT-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1coc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174403131 534314881 /nfs/dbraw/zinc/31/48/81/534314881.db2.gz ZGTAXVYTBDOWHT-KRWDZBQOSA-N 2 2 342.439 3.020 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944175 527840915 /nfs/dbraw/zinc/84/09/15/527840915.db2.gz WEXASNAYWQOLFT-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944175 527840918 /nfs/dbraw/zinc/84/09/18/527840918.db2.gz WEXASNAYWQOLFT-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944175 527840921 /nfs/dbraw/zinc/84/09/21/527840921.db2.gz WEXASNAYWQOLFT-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944175 527840926 /nfs/dbraw/zinc/84/09/26/527840926.db2.gz WEXASNAYWQOLFT-GJZGRUSLSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncc(Br)cc2F)C1 ZINC000187048548 528260938 /nfs/dbraw/zinc/26/09/38/528260938.db2.gz YKSOCEZNYSWAHP-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ncc(Br)cc2F)C1 ZINC000187048548 528260942 /nfs/dbraw/zinc/26/09/42/528260942.db2.gz YKSOCEZNYSWAHP-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000131010760 528611640 /nfs/dbraw/zinc/61/16/40/528611640.db2.gz ZEOZHXALBGBCLR-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000131010760 528611643 /nfs/dbraw/zinc/61/16/43/528611643.db2.gz ZEOZHXALBGBCLR-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188007546 529202089 /nfs/dbraw/zinc/20/20/89/529202089.db2.gz APCIWNDLCIRDRJ-ROUUACIJSA-N 2 2 330.451 3.492 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000188007546 529202091 /nfs/dbraw/zinc/20/20/91/529202091.db2.gz APCIWNDLCIRDRJ-ROUUACIJSA-N 2 2 330.451 3.492 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820120 535252255 /nfs/dbraw/zinc/25/22/55/535252255.db2.gz FYNLWSUISRIOSC-HOTGVXAUSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820120 535252259 /nfs/dbraw/zinc/25/22/59/535252259.db2.gz FYNLWSUISRIOSC-HOTGVXAUSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820120 535252262 /nfs/dbraw/zinc/25/22/62/535252262.db2.gz FYNLWSUISRIOSC-HOTGVXAUSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000342820120 535252265 /nfs/dbraw/zinc/25/22/65/535252265.db2.gz FYNLWSUISRIOSC-HOTGVXAUSA-N 2 2 335.517 3.053 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@@H]3c3[nH]cc[nH+]3)sc2C1 ZINC000346222474 535253008 /nfs/dbraw/zinc/25/30/08/535253008.db2.gz STUJGAFPANUKIA-OAHLLOKOSA-N 2 2 345.516 3.360 20 0 EGADLP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@@H]3c3[nH]cc[nH+]3)sc2C1 ZINC000346222474 535253014 /nfs/dbraw/zinc/25/30/14/535253014.db2.gz STUJGAFPANUKIA-OAHLLOKOSA-N 2 2 345.516 3.360 20 0 EGADLP Cn1c(CCC[NH2+]Cc2nc3c(s2)CCC3)[nH+]c2ccccc21 ZINC000093076048 546681270 /nfs/dbraw/zinc/68/12/70/546681270.db2.gz FPEWAQINISHJBC-UHFFFAOYSA-N 2 2 326.469 3.241 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059693 546702559 /nfs/dbraw/zinc/70/25/59/546702559.db2.gz CLMWLYRTBNEINZ-UTKZUKDTSA-N 3 2 347.547 3.398 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000125041154 546749871 /nfs/dbraw/zinc/74/98/71/546749871.db2.gz SFCXUPMKJFEPSB-GHTZIAJQSA-N 3 2 329.532 3.452 20 0 EGADLP c1csc(-c2cnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)c1 ZINC000151266966 546853105 /nfs/dbraw/zinc/85/31/05/546853105.db2.gz DSHABHUVYZWGNZ-UHFFFAOYSA-N 2 2 326.425 3.120 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731645 546858981 /nfs/dbraw/zinc/85/89/81/546858981.db2.gz LAXTXTTWHCUADT-GHTZIAJQSA-N 3 2 331.548 3.259 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCSc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153326681 546879058 /nfs/dbraw/zinc/87/90/58/546879058.db2.gz WEDWOERAHQQXKL-XJKSGUPXSA-N 2 2 340.920 3.435 20 0 EGADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000158891533 546931481 /nfs/dbraw/zinc/93/14/81/546931481.db2.gz HATKMVKFMBOVKR-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000158891533 546931486 /nfs/dbraw/zinc/93/14/86/546931486.db2.gz HATKMVKFMBOVKR-UONOGXRCSA-N 2 2 327.241 3.305 20 0 EGADLP CCc1cc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)nc(C)[nH+]1 ZINC000180434463 547056130 /nfs/dbraw/zinc/05/61/30/547056130.db2.gz YQCXXYVDFOOGFW-HNNXBMFYSA-N 2 2 340.471 3.239 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000189117200 547156267 /nfs/dbraw/zinc/15/62/67/547156267.db2.gz OTKJMNUNAQCTLH-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000189117200 547156273 /nfs/dbraw/zinc/15/62/73/547156273.db2.gz OTKJMNUNAQCTLH-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000189117200 547156276 /nfs/dbraw/zinc/15/62/76/547156276.db2.gz OTKJMNUNAQCTLH-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000189117200 547156281 /nfs/dbraw/zinc/15/62/81/547156281.db2.gz OTKJMNUNAQCTLH-MRXNPFEDSA-N 2 2 340.471 3.033 20 0 EGADLP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000311863830 547463262 /nfs/dbraw/zinc/46/32/62/547463262.db2.gz VQFDSRCPHMJVPF-UHFFFAOYSA-N 3 2 349.522 3.429 20 0 EGADLP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000311863830 547463265 /nfs/dbraw/zinc/46/32/65/547463265.db2.gz VQFDSRCPHMJVPF-UHFFFAOYSA-N 3 2 349.522 3.429 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072647 547568107 /nfs/dbraw/zinc/56/81/07/547568107.db2.gz YHXAFNJHSSXPJX-QMMLZNLJSA-N 3 2 327.516 3.428 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072647 547568111 /nfs/dbraw/zinc/56/81/11/547568111.db2.gz YHXAFNJHSSXPJX-QMMLZNLJSA-N 3 2 327.516 3.428 20 0 EGADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331292 547705153 /nfs/dbraw/zinc/70/51/53/547705153.db2.gz CPWQABJPIJVJBW-SLTXQBBLSA-N 2 2 336.442 3.444 20 0 EGADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331292 547705154 /nfs/dbraw/zinc/70/51/54/547705154.db2.gz CPWQABJPIJVJBW-SLTXQBBLSA-N 2 2 336.442 3.444 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671742557 548350396 /nfs/dbraw/zinc/35/03/96/548350396.db2.gz YOZBAUJNZLGPNX-AWEZNQCLSA-N 2 2 325.412 3.316 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671742557 548350397 /nfs/dbraw/zinc/35/03/97/548350397.db2.gz YOZBAUJNZLGPNX-AWEZNQCLSA-N 2 2 325.412 3.316 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CCN(c2ccc3cc(OC)ccc3[nH+]2)C1 ZINC000673816820 548633467 /nfs/dbraw/zinc/63/34/67/548633467.db2.gz DKHQPKZQFBZXCA-SFHVURJKSA-N 2 2 343.471 3.181 20 0 EGADLP CC(C)[NH+]1CCC(C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)CC1 ZINC000674809978 548802328 /nfs/dbraw/zinc/80/23/28/548802328.db2.gz LOFNBISCDVRCMP-UHFFFAOYSA-N 2 2 344.434 3.202 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000675255615 548881966 /nfs/dbraw/zinc/88/19/66/548881966.db2.gz AQPYRGOILSKWPO-DOTOQJQBSA-N 2 2 344.459 3.041 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476778 549094537 /nfs/dbraw/zinc/09/45/37/549094537.db2.gz BDKGPWJGOCYZGM-AEFFLSMTSA-N 2 2 332.492 3.090 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476778 549094539 /nfs/dbraw/zinc/09/45/39/549094539.db2.gz BDKGPWJGOCYZGM-AEFFLSMTSA-N 2 2 332.492 3.090 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217385 549427452 /nfs/dbraw/zinc/42/74/52/549427452.db2.gz TXGGASWUGNDGNW-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217385 549427454 /nfs/dbraw/zinc/42/74/54/549427454.db2.gz TXGGASWUGNDGNW-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217385 549427456 /nfs/dbraw/zinc/42/74/56/549427456.db2.gz TXGGASWUGNDGNW-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000678217385 549427457 /nfs/dbraw/zinc/42/74/57/549427457.db2.gz TXGGASWUGNDGNW-HKUYNNGSSA-N 2 2 330.520 3.234 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235252 549436014 /nfs/dbraw/zinc/43/60/14/549436014.db2.gz PWYVWKDNJKMLME-QGZVFWFLSA-N 2 2 325.391 3.249 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235252 549436017 /nfs/dbraw/zinc/43/60/17/549436017.db2.gz PWYVWKDNJKMLME-QGZVFWFLSA-N 2 2 325.391 3.249 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000678234230 549436242 /nfs/dbraw/zinc/43/62/42/549436242.db2.gz ARGHJMXCSSNBJR-WMLDXEAASA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000678234230 549436245 /nfs/dbraw/zinc/43/62/45/549436245.db2.gz ARGHJMXCSSNBJR-WMLDXEAASA-N 2 2 327.428 3.052 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678236272 549437710 /nfs/dbraw/zinc/43/77/10/549437710.db2.gz XLNYQFOOMRUOAN-INIZCTEOSA-N 2 2 345.443 3.136 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000678236272 549437713 /nfs/dbraw/zinc/43/77/13/549437713.db2.gz XLNYQFOOMRUOAN-INIZCTEOSA-N 2 2 345.443 3.136 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)n1 ZINC000678413977 549487170 /nfs/dbraw/zinc/48/71/70/549487170.db2.gz PPURYRKACIWCGF-KRWDZBQOSA-N 2 2 339.483 3.381 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584337 549524620 /nfs/dbraw/zinc/52/46/20/549524620.db2.gz RZNHLTFJYJWMJC-DYVFJYSZSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000678584337 549524626 /nfs/dbraw/zinc/52/46/26/549524626.db2.gz RZNHLTFJYJWMJC-DYVFJYSZSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(O)cc2)CCOCC1)c1ccccc1 ZINC000679395049 549703525 /nfs/dbraw/zinc/70/35/25/549703525.db2.gz TUNPSQIPTAOMGY-QGZVFWFLSA-N 2 2 340.467 3.382 20 0 EGADLP CC[NH+](CC)CCCC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000679851646 549781718 /nfs/dbraw/zinc/78/17/18/549781718.db2.gz QFFDMWGNQMCHCV-UHFFFAOYSA-N 2 2 342.491 3.001 20 0 EGADLP C[C@H](c1cccc(N[C@@H](c2[nH+]ccn2C)C2CC2)c1)[NH+]1CCOCC1 ZINC000681563209 550014567 /nfs/dbraw/zinc/01/45/67/550014567.db2.gz RDDATAPUIQBCTH-DNVCBOLYSA-N 2 2 340.471 3.377 20 0 EGADLP C[C@@H](c1cccc(N[C@@H](c2[nH+]ccn2C)C2CC2)c1)[NH+]1CCOCC1 ZINC000681563212 550014573 /nfs/dbraw/zinc/01/45/73/550014573.db2.gz RDDATAPUIQBCTH-HNAYVOBHSA-N 2 2 340.471 3.377 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)no2)c(F)c1 ZINC000682027856 550063198 /nfs/dbraw/zinc/06/31/98/550063198.db2.gz KKINRGFZBFCVHS-ZDUSSCGKSA-N 2 2 345.353 3.048 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)no2)c(F)c1 ZINC000682027856 550063201 /nfs/dbraw/zinc/06/32/01/550063201.db2.gz KKINRGFZBFCVHS-ZDUSSCGKSA-N 2 2 345.353 3.048 20 0 EGADLP Fc1cc(Cl)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682086281 550072045 /nfs/dbraw/zinc/07/20/45/550072045.db2.gz PTLUNNFJHBGOEI-INIZCTEOSA-N 2 2 326.843 3.212 20 0 EGADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4c(O)cccc34)CC2)cs1 ZINC000682238155 550085561 /nfs/dbraw/zinc/08/55/61/550085561.db2.gz LAKFFIDAOJCTGA-UHFFFAOYSA-N 2 2 340.452 3.028 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)c2C1 ZINC000682514616 550109092 /nfs/dbraw/zinc/10/90/92/550109092.db2.gz AFDUEUVWRFKFDI-MRXNPFEDSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)c2C1 ZINC000682514616 550109093 /nfs/dbraw/zinc/10/90/93/550109093.db2.gz AFDUEUVWRFKFDI-MRXNPFEDSA-N 2 2 338.455 3.056 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000682732547 550137606 /nfs/dbraw/zinc/13/76/06/550137606.db2.gz JUXSMTPNULDEFJ-IBGZPJMESA-N 2 2 332.488 3.118 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)c[nH+]1 ZINC000684375847 550321547 /nfs/dbraw/zinc/32/15/47/550321547.db2.gz CFPIPOSTXVPXFO-QGZVFWFLSA-N 2 2 331.410 3.469 20 0 EGADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000685412626 550413674 /nfs/dbraw/zinc/41/36/74/550413674.db2.gz ILJFHVZEYFTMPX-QGZVFWFLSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000685412626 550413676 /nfs/dbraw/zinc/41/36/76/550413676.db2.gz ILJFHVZEYFTMPX-QGZVFWFLSA-N 2 2 338.879 3.035 20 0 EGADLP CN(Cc1ccsc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457192 550418781 /nfs/dbraw/zinc/41/87/81/550418781.db2.gz JHDXJRCKWZLVDY-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP CN(Cc1ccsc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457192 550418783 /nfs/dbraw/zinc/41/87/83/550418783.db2.gz JHDXJRCKWZLVDY-OAHLLOKOSA-N 2 2 327.925 3.002 20 0 EGADLP C[NH+](C)CCN(Cc1c[nH+]c2ccccn12)Cc1ccc(F)cc1 ZINC000685455035 550418463 /nfs/dbraw/zinc/41/84/63/550418463.db2.gz YRTJSYNMSJTADM-UHFFFAOYSA-N 2 2 326.419 3.037 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000309946169 574980994 /nfs/dbraw/zinc/98/09/94/574980994.db2.gz GOGGEQHQKAXGFN-CVEARBPZSA-N 2 2 336.480 3.089 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000731867723 575216175 /nfs/dbraw/zinc/21/61/75/575216175.db2.gz RJYHFYWMNJUDCC-IBGZPJMESA-N 2 2 342.487 3.138 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000731867723 575216177 /nfs/dbraw/zinc/21/61/77/575216177.db2.gz RJYHFYWMNJUDCC-IBGZPJMESA-N 2 2 342.487 3.138 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@@H](C)c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000182250756 575343274 /nfs/dbraw/zinc/34/32/74/575343274.db2.gz WBWZJXDTDKNDHJ-MAUKXSAKSA-N 2 2 330.476 3.162 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686401 576169347 /nfs/dbraw/zinc/16/93/47/576169347.db2.gz QITNGJYCWSOTIL-YJBOKZPZSA-N 2 2 329.444 3.304 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686401 576169350 /nfs/dbraw/zinc/16/93/50/576169350.db2.gz QITNGJYCWSOTIL-YJBOKZPZSA-N 2 2 329.444 3.304 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000738091417 576287128 /nfs/dbraw/zinc/28/71/28/576287128.db2.gz WRVCNMZYZOORIR-UHFFFAOYSA-N 2 2 333.501 3.073 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000738091417 576287130 /nfs/dbraw/zinc/28/71/30/576287130.db2.gz WRVCNMZYZOORIR-UHFFFAOYSA-N 2 2 333.501 3.073 20 0 EGADLP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC(C)(C)C ZINC000738414123 576322610 /nfs/dbraw/zinc/32/26/10/576322610.db2.gz DIUKWAZKSMVZMT-CQSZACIVSA-N 2 2 338.517 3.280 20 0 EGADLP COc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1OC ZINC000030901887 1291356824 /nfs/dbraw/zinc/35/68/24/1291356824.db2.gz BHOXHVQRAJWDHW-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000069785250 1292252104 /nfs/dbraw/zinc/25/21/04/1292252104.db2.gz AMRAMJRZGSGOQV-UHFFFAOYSA-N 2 2 343.902 3.377 20 0 EGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000069785250 1292252111 /nfs/dbraw/zinc/25/21/11/1292252111.db2.gz AMRAMJRZGSGOQV-UHFFFAOYSA-N 2 2 343.902 3.377 20 0 EGADLP COc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000070737520 1292257848 /nfs/dbraw/zinc/25/78/48/1292257848.db2.gz UKXQVQAYRDDKQI-UHFFFAOYSA-N 2 2 348.450 3.203 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000128656767 1293600156 /nfs/dbraw/zinc/60/01/56/1293600156.db2.gz KXCUCIKGZLWMND-ZIAGYGMSSA-N 2 2 341.293 3.420 20 0 EGADLP O[C@H](c1ccccc1)C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000129746036 1293633275 /nfs/dbraw/zinc/63/32/75/1293633275.db2.gz RJEQLENEKACGEB-HXUWFJFHSA-N 2 2 333.435 3.476 20 0 EGADLP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131358157 1293687687 /nfs/dbraw/zinc/68/76/87/1293687687.db2.gz SWMZMRNQJOOFRU-IEBWSBKVSA-N 2 2 327.472 3.025 20 0 EGADLP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131358157 1293687690 /nfs/dbraw/zinc/68/76/90/1293687690.db2.gz SWMZMRNQJOOFRU-IEBWSBKVSA-N 2 2 327.472 3.025 20 0 EGADLP CCCn1nc(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1C ZINC000133127459 1293738236 /nfs/dbraw/zinc/73/82/36/1293738236.db2.gz CILJIOHCTQNANB-UHFFFAOYSA-N 2 2 338.459 3.089 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCSCC2)CCOCC1)c1ccccc1 ZINC000152378922 1293966429 /nfs/dbraw/zinc/96/64/29/1293966429.db2.gz UFLWZOFEWHMVDD-MRXNPFEDSA-N 2 2 334.529 3.372 20 0 EGADLP CC(C)C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000177550752 1294676640 /nfs/dbraw/zinc/67/66/40/1294676640.db2.gz MMVXJHBFBMEDBB-KRWDZBQOSA-N 2 2 341.540 3.199 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000181026456 1294933033 /nfs/dbraw/zinc/93/30/33/1294933033.db2.gz CFSSQXRWIGQHPF-SJLPKXTDSA-N 2 2 330.472 3.115 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@H+]1C1CC1 ZINC000181026456 1294933045 /nfs/dbraw/zinc/93/30/45/1294933045.db2.gz CFSSQXRWIGQHPF-SJLPKXTDSA-N 2 2 330.472 3.115 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)ccc1OC ZINC000182217939 1295027985 /nfs/dbraw/zinc/02/79/85/1295027985.db2.gz MWJLTBSDSRGLKZ-INIZCTEOSA-N 3 2 330.476 3.084 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190309978 1295580882 /nfs/dbraw/zinc/58/08/82/1295580882.db2.gz PUBLKODFAHSILC-UHFFFAOYSA-N 2 2 346.515 3.420 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000190309978 1295580895 /nfs/dbraw/zinc/58/08/95/1295580895.db2.gz PUBLKODFAHSILC-UHFFFAOYSA-N 2 2 346.515 3.420 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1occc1Br ZINC000227368060 1296143286 /nfs/dbraw/zinc/14/32/86/1296143286.db2.gz MTOBXLBWLQALCO-CYBMUJFWSA-N 2 2 326.238 3.443 20 0 EGADLP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245922270 1296331160 /nfs/dbraw/zinc/33/11/60/1296331160.db2.gz SWMZMRNQJOOFRU-HKUYNNGSSA-N 2 2 327.472 3.025 20 0 EGADLP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245922270 1296331168 /nfs/dbraw/zinc/33/11/68/1296331168.db2.gz SWMZMRNQJOOFRU-HKUYNNGSSA-N 2 2 327.472 3.025 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957095 1296377498 /nfs/dbraw/zinc/37/74/98/1296377498.db2.gz UVIGTHZCDGJDPI-FXAWDEMLSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957095 1296377507 /nfs/dbraw/zinc/37/75/07/1296377507.db2.gz UVIGTHZCDGJDPI-FXAWDEMLSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957095 1296377523 /nfs/dbraw/zinc/37/75/23/1296377523.db2.gz UVIGTHZCDGJDPI-FXAWDEMLSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC1CCCCCCC1 ZINC000246957095 1296377536 /nfs/dbraw/zinc/37/75/36/1296377536.db2.gz UVIGTHZCDGJDPI-FXAWDEMLSA-N 2 2 347.547 3.164 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000261375281 1296590985 /nfs/dbraw/zinc/59/09/85/1296590985.db2.gz ZALOHELHEQHURO-LJQANCHMSA-N 2 2 325.387 3.143 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000261538135 1296593079 /nfs/dbraw/zinc/59/30/79/1296593079.db2.gz FLMVYEGTOHRYBY-PCCBWWKXSA-N 3 2 327.516 3.161 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CCC1 ZINC000310031294 1297084428 /nfs/dbraw/zinc/08/44/28/1297084428.db2.gz WIKCIVAQSXWTSP-HZPDHXFCSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000326341469 1297235311 /nfs/dbraw/zinc/23/53/11/1297235311.db2.gz RZEQEFUOMVEJTP-RDJZCZTQSA-N 2 2 328.460 3.305 20 0 EGADLP Clc1cnc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000873283202 1297408911 /nfs/dbraw/zinc/40/89/11/1297408911.db2.gz OITUAFJIEGQWPM-WBMJQRKESA-N 2 2 335.860 3.142 20 0 EGADLP Cc1cn2cc(NC(=O)N[C@@H]3CCCCC34CC[NH2+]CC4)ccc2[nH+]1 ZINC000873307922 1297423599 /nfs/dbraw/zinc/42/35/99/1297423599.db2.gz SKRPJXWJSOKFFH-MRXNPFEDSA-N 2 2 341.459 3.077 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000378900939 1297526040 /nfs/dbraw/zinc/52/60/40/1297526040.db2.gz CHSJIDYEWQGYJQ-PKOBYXMFSA-N 2 2 327.472 3.454 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689722 1297538809 /nfs/dbraw/zinc/53/88/09/1297538809.db2.gz IRNOJMNONPDIRK-RDJZCZTQSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000379689722 1297538822 /nfs/dbraw/zinc/53/88/22/1297538822.db2.gz IRNOJMNONPDIRK-RDJZCZTQSA-N 2 2 339.524 3.144 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCC3(CC2)OCCO3)CCC1 ZINC000386741313 1297592994 /nfs/dbraw/zinc/59/29/94/1297592994.db2.gz YIGDLXWSOYGJOC-UHFFFAOYSA-N 2 2 344.499 3.316 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCC3(CC2)OCCO3)CCC1 ZINC000386741313 1297592998 /nfs/dbraw/zinc/59/29/98/1297592998.db2.gz YIGDLXWSOYGJOC-UHFFFAOYSA-N 2 2 344.499 3.316 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708548792 1298244394 /nfs/dbraw/zinc/24/43/94/1298244394.db2.gz CKTOCMZWNQLYHG-PBHICJAKSA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708548792 1298244404 /nfs/dbraw/zinc/24/44/04/1298244404.db2.gz CKTOCMZWNQLYHG-PBHICJAKSA-N 2 2 346.906 3.240 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000724027141 1298343597 /nfs/dbraw/zinc/34/35/97/1298343597.db2.gz BJHDSZTWSGKUAX-IXDOHACOSA-N 2 2 341.540 3.246 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174281 1325458151 /nfs/dbraw/zinc/45/81/51/1325458151.db2.gz QYOHUULZLKMDFJ-FZMZJTMJSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174281 1325458157 /nfs/dbraw/zinc/45/81/57/1325458157.db2.gz QYOHUULZLKMDFJ-FZMZJTMJSA-N 2 2 334.407 3.016 20 0 EGADLP COc1cccc2cc(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)oc21 ZINC000747622016 1298810577 /nfs/dbraw/zinc/81/05/77/1298810577.db2.gz MOWUZLYSJJPCDP-UHFFFAOYSA-N 2 2 346.471 3.420 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000749116180 1299145224 /nfs/dbraw/zinc/14/52/24/1299145224.db2.gz JKDWJRQHOPSHLG-IFXJQAMLSA-N 2 2 325.387 3.223 20 0 EGADLP Brc1ncccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000865636038 1329723545 /nfs/dbraw/zinc/72/35/45/1329723545.db2.gz SDYADBAKIJXNGK-AWEZNQCLSA-N 2 2 338.293 3.056 20 0 EGADLP Brc1ncccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000865636038 1329723547 /nfs/dbraw/zinc/72/35/47/1329723547.db2.gz SDYADBAKIJXNGK-AWEZNQCLSA-N 2 2 338.293 3.056 20 0 EGADLP Cc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)c(N(C)C)[nH+]1 ZINC000750405113 1299394556 /nfs/dbraw/zinc/39/45/56/1299394556.db2.gz BMKURPIZKGXVSL-UHFFFAOYSA-N 2 2 347.507 3.234 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877570017 1299404850 /nfs/dbraw/zinc/40/48/50/1299404850.db2.gz DMAKTRFLHIWJHP-HZMVEIRTSA-N 2 2 339.524 3.094 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059315 1299730709 /nfs/dbraw/zinc/73/07/09/1299730709.db2.gz OWPRISUMRYXYTF-MSOLQXFVSA-N 2 2 326.444 3.246 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059315 1299730716 /nfs/dbraw/zinc/73/07/16/1299730716.db2.gz OWPRISUMRYXYTF-MSOLQXFVSA-N 2 2 326.444 3.246 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125640 1299763375 /nfs/dbraw/zinc/76/33/75/1299763375.db2.gz PORMUISCAGNTGN-PKOBYXMFSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125640 1299763380 /nfs/dbraw/zinc/76/33/80/1299763380.db2.gz PORMUISCAGNTGN-PKOBYXMFSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000878318664 1299915061 /nfs/dbraw/zinc/91/50/61/1299915061.db2.gz BLQOONSMOQRLGC-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000878318664 1299915068 /nfs/dbraw/zinc/91/50/68/1299915068.db2.gz BLQOONSMOQRLGC-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP C[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000754499180 1300152782 /nfs/dbraw/zinc/15/27/82/1300152782.db2.gz FPOWGDKNPJCALW-MRXNPFEDSA-N 2 2 327.428 3.180 20 0 EGADLP CCC/C=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215934 1300301179 /nfs/dbraw/zinc/30/11/79/1300301179.db2.gz YVSVLWCDQOCPMZ-CBLQFRIPSA-N 2 2 335.536 3.138 20 0 EGADLP CCC/C=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215934 1300301191 /nfs/dbraw/zinc/30/11/91/1300301191.db2.gz YVSVLWCDQOCPMZ-CBLQFRIPSA-N 2 2 335.536 3.138 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215564 1300301394 /nfs/dbraw/zinc/30/13/94/1300301394.db2.gz WYSODWVUQLDPKJ-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215564 1300301406 /nfs/dbraw/zinc/30/14/06/1300301406.db2.gz WYSODWVUQLDPKJ-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc(=O)oc2c1C ZINC000880475623 1301137962 /nfs/dbraw/zinc/13/79/62/1301137962.db2.gz ZUVMOADYHATWRF-UHFFFAOYSA-N 2 2 340.467 3.470 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858895 1301179385 /nfs/dbraw/zinc/17/93/85/1301179385.db2.gz PSTDCADWQICMRZ-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858895 1301179387 /nfs/dbraw/zinc/17/93/87/1301179387.db2.gz PSTDCADWQICMRZ-DYVFJYSZSA-N 2 2 328.859 3.176 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000763619574 1301935231 /nfs/dbraw/zinc/93/52/31/1301935231.db2.gz MDCCKFBPMONPKZ-INIZCTEOSA-N 2 2 348.491 3.345 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000763619574 1301935239 /nfs/dbraw/zinc/93/52/39/1301935239.db2.gz MDCCKFBPMONPKZ-INIZCTEOSA-N 2 2 348.491 3.345 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1n[nH]cc1C ZINC000883207138 1302305371 /nfs/dbraw/zinc/30/53/71/1302305371.db2.gz HBZWFKJZPHKBTH-UHFFFAOYSA-N 2 2 326.448 3.022 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC3CCOCC3)CC2)cc1 ZINC000765997554 1302364147 /nfs/dbraw/zinc/36/41/47/1302364147.db2.gz JVQBWDLVBPSPQZ-UHFFFAOYSA-N 2 2 331.504 3.128 20 0 EGADLP CCc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)on1 ZINC000766135522 1302398414 /nfs/dbraw/zinc/39/84/14/1302398414.db2.gz LFUCSHNYGAIZRM-UHFFFAOYSA-N 2 2 328.460 3.062 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387135 1302425821 /nfs/dbraw/zinc/42/58/21/1302425821.db2.gz SCLUKZABQUXNLD-NHCUHLMSSA-N 2 2 335.451 3.472 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883387742 1302426077 /nfs/dbraw/zinc/42/60/77/1302426077.db2.gz DGISMVKXURWLRN-KVZIAJEVSA-N 2 2 341.455 3.336 20 0 EGADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000769876513 1303186777 /nfs/dbraw/zinc/18/67/77/1303186777.db2.gz SQUWJLDWXIXRER-LBPRGKRZSA-N 2 2 325.416 3.285 20 0 EGADLP CCn1nc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c2ccccc21 ZINC000769910223 1303191234 /nfs/dbraw/zinc/19/12/34/1303191234.db2.gz SNPOFWBSPVHANV-GOSISDBHSA-N 2 2 325.460 3.457 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3cc(C)cc(C)c3)CC2)[nH+]c1C ZINC000886664077 1303545512 /nfs/dbraw/zinc/54/55/12/1303545512.db2.gz AWFKMPSVYFYELZ-UHFFFAOYSA-N 2 2 340.471 3.461 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886666190 1303546487 /nfs/dbraw/zinc/54/64/87/1303546487.db2.gz OLUBWBJJBHDOIQ-UHFFFAOYSA-N 2 2 346.862 3.498 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)[nH+]c1C ZINC000886672135 1303551825 /nfs/dbraw/zinc/55/18/25/1303551825.db2.gz JFGYQLVIQRJGKB-QWQRMKEZSA-N 2 2 346.519 3.147 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604424 1303991675 /nfs/dbraw/zinc/99/16/75/1303991675.db2.gz QWGAMQVNUPYDKD-QAPCUYQASA-N 2 2 340.870 3.463 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604424 1303991680 /nfs/dbraw/zinc/99/16/80/1303991680.db2.gz QWGAMQVNUPYDKD-QAPCUYQASA-N 2 2 340.870 3.463 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccnc(Cl)c1 ZINC000777258831 1304276897 /nfs/dbraw/zinc/27/68/97/1304276897.db2.gz MRSIIPDUDXOOEI-XJKSGUPXSA-N 2 2 345.878 3.443 20 0 EGADLP Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000891567495 1305092585 /nfs/dbraw/zinc/09/25/85/1305092585.db2.gz JVNXJZUJPHEIAP-MSOLQXFVSA-N 2 2 342.487 3.434 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C2CC2)n1 ZINC000891920929 1305210693 /nfs/dbraw/zinc/21/06/93/1305210693.db2.gz LKXNQINGABNIQT-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C2CC2)n1 ZINC000891920929 1305210695 /nfs/dbraw/zinc/21/06/95/1305210695.db2.gz LKXNQINGABNIQT-QGZVFWFLSA-N 2 2 330.520 3.386 20 0 EGADLP COc1ccc2[nH+]ccc(N3CCC([N@H+](C)CC(F)F)CC3)c2c1 ZINC000892829070 1305570198 /nfs/dbraw/zinc/57/01/98/1305570198.db2.gz RJHDNWPIHFBIAF-UHFFFAOYSA-N 2 2 335.398 3.409 20 0 EGADLP COc1ccc2[nH+]ccc(N3CCC([N@@H+](C)CC(F)F)CC3)c2c1 ZINC000892829070 1305570203 /nfs/dbraw/zinc/57/02/03/1305570203.db2.gz RJHDNWPIHFBIAF-UHFFFAOYSA-N 2 2 335.398 3.409 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788243778 1305906718 /nfs/dbraw/zinc/90/67/18/1305906718.db2.gz KIDMYZLINPSPCF-LSDHHAIUSA-N 2 2 327.513 3.142 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788502194 1305956210 /nfs/dbraw/zinc/95/62/10/1305956210.db2.gz HHGXOFSYYFTJMD-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788502194 1305956218 /nfs/dbraw/zinc/95/62/18/1305956218.db2.gz HHGXOFSYYFTJMD-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)c2ncnn2C)ccc1OC ZINC000788982279 1306057268 /nfs/dbraw/zinc/05/72/68/1306057268.db2.gz GOAKTBUYHKCPDX-LSDHHAIUSA-N 2 2 345.491 3.077 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000790497162 1306339204 /nfs/dbraw/zinc/33/92/04/1306339204.db2.gz KZWNDWFOKDRBQC-BZUAXINKSA-N 2 2 341.540 3.388 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000790497162 1306339215 /nfs/dbraw/zinc/33/92/15/1306339215.db2.gz KZWNDWFOKDRBQC-BZUAXINKSA-N 2 2 341.540 3.388 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419386 1308870734 /nfs/dbraw/zinc/87/07/34/1308870734.db2.gz TWDMHACFISBLQL-NRFANRHFSA-N 2 2 338.499 3.309 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419386 1308870745 /nfs/dbraw/zinc/87/07/45/1308870745.db2.gz TWDMHACFISBLQL-NRFANRHFSA-N 2 2 338.499 3.309 20 0 EGADLP CCn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419386 1308870757 /nfs/dbraw/zinc/87/07/57/1308870757.db2.gz TWDMHACFISBLQL-NRFANRHFSA-N 2 2 338.499 3.309 20 0 EGADLP CCn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000894419386 1308870767 /nfs/dbraw/zinc/87/07/67/1308870767.db2.gz TWDMHACFISBLQL-NRFANRHFSA-N 2 2 338.499 3.309 20 0 EGADLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000895672481 1309459325 /nfs/dbraw/zinc/45/93/25/1309459325.db2.gz ZWZXCSXVGHOENJ-UHFFFAOYSA-N 2 2 338.455 3.329 20 0 EGADLP COc1cc(C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000895707299 1309478384 /nfs/dbraw/zinc/47/83/84/1309478384.db2.gz QAHWAPFGCBXZAJ-LPHOPBHVSA-N 2 2 336.439 3.249 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000796782082 1310085953 /nfs/dbraw/zinc/08/59/53/1310085953.db2.gz OSQUMTXUHLHWOP-UTKZUKDTSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000796782082 1310085963 /nfs/dbraw/zinc/08/59/63/1310085963.db2.gz OSQUMTXUHLHWOP-UTKZUKDTSA-N 2 2 339.483 3.448 20 0 EGADLP Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957003 1310462627 /nfs/dbraw/zinc/46/26/27/1310462627.db2.gz HRXZZBALXYBRGI-UHFFFAOYSA-N 2 2 331.291 3.035 20 0 EGADLP Cn1c(Cl)nc(Cl)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957003 1310462630 /nfs/dbraw/zinc/46/26/30/1310462630.db2.gz HRXZZBALXYBRGI-UHFFFAOYSA-N 2 2 331.291 3.035 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000897842060 1310488529 /nfs/dbraw/zinc/48/85/29/1310488529.db2.gz UGVQKLCQGPKTNI-KBXCAEBGSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000897842060 1310488537 /nfs/dbraw/zinc/48/85/37/1310488537.db2.gz UGVQKLCQGPKTNI-KBXCAEBGSA-N 2 2 329.444 3.170 20 0 EGADLP Clc1cnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000799167884 1310496368 /nfs/dbraw/zinc/49/63/68/1310496368.db2.gz GYKPHEBADGSPJT-UHFFFAOYSA-N 2 2 331.851 3.042 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982476 1310539233 /nfs/dbraw/zinc/53/92/33/1310539233.db2.gz LKNBHMRBQBVWCP-INIZCTEOSA-N 2 2 332.488 3.207 20 0 EGADLP CC[C@@H](C)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824597694 1320268963 /nfs/dbraw/zinc/26/89/63/1320268963.db2.gz WOGRIHYSDNTXME-OXQOHEQNSA-N 2 2 333.520 3.372 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001019039997 1317017688 /nfs/dbraw/zinc/01/76/88/1317017688.db2.gz CWBNHDMUGIUKJZ-YOEHRIQHSA-N 2 2 334.423 3.128 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001019139633 1317068063 /nfs/dbraw/zinc/06/80/63/1317068063.db2.gz MDQXBKUGGVOABB-AEFFLSMTSA-N 2 2 348.450 3.208 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019493758 1317276953 /nfs/dbraw/zinc/27/69/53/1317276953.db2.gz MIXQMPUZIQZCBO-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019493758 1317276957 /nfs/dbraw/zinc/27/69/57/1317276957.db2.gz MIXQMPUZIQZCBO-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000957420112 1317346942 /nfs/dbraw/zinc/34/69/42/1317346942.db2.gz FTBIUEPCKQOBEF-YLJYHZDGSA-N 2 2 343.515 3.155 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000806132578 1317462929 /nfs/dbraw/zinc/46/29/29/1317462929.db2.gz XQKVTTLTNGPRPJ-MAUKXSAKSA-N 2 2 338.459 3.229 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000806155675 1317466779 /nfs/dbraw/zinc/46/67/79/1317466779.db2.gz SOUFVGUPAZBIIF-MSOLQXFVSA-N 2 2 329.488 3.438 20 0 EGADLP CCC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC000957577467 1317473361 /nfs/dbraw/zinc/47/33/61/1317473361.db2.gz CJKJFPAJMOQPBT-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1OC ZINC000902436098 1317577701 /nfs/dbraw/zinc/57/77/01/1317577701.db2.gz WYYJSIBVSQSBIK-OMWUSAIZSA-N 2 2 326.440 3.288 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000902430595 1317577716 /nfs/dbraw/zinc/57/77/16/1317577716.db2.gz CMAQQRPYFHFMCK-PKEAVRCTSA-N 2 2 340.467 3.410 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1Cn1cccn1 ZINC000902481741 1317583029 /nfs/dbraw/zinc/58/30/29/1317583029.db2.gz GHVSFTZTQNQBHD-QFBILLFUSA-N 2 2 342.487 3.123 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001020256879 1317611629 /nfs/dbraw/zinc/61/16/29/1317611629.db2.gz ICXPKFWMHLHHDG-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001020256879 1317611636 /nfs/dbraw/zinc/61/16/36/1317611636.db2.gz ICXPKFWMHLHHDG-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902786904 1317616549 /nfs/dbraw/zinc/61/65/49/1317616549.db2.gz UUQLZCJPFUOKOA-CYBMUJFWSA-N 2 2 345.409 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902815091 1317619667 /nfs/dbraw/zinc/61/96/67/1317619667.db2.gz SOEMRTBRJBMPAV-RDTXWAMCSA-N 2 2 327.453 3.492 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296598 1317632102 /nfs/dbraw/zinc/63/21/02/1317632102.db2.gz XCSTUWNMDKUTDJ-DJIMGWMZSA-N 2 2 348.450 3.483 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001020296070 1317632412 /nfs/dbraw/zinc/63/24/12/1317632412.db2.gz CEKOCVVWOWCVRX-BXWFABGCSA-N 2 2 346.434 3.101 20 0 EGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000903254211 1317681006 /nfs/dbraw/zinc/68/10/06/1317681006.db2.gz RMTKJYXFANJWCG-FDYSRKEFSA-N 2 2 339.487 3.281 20 0 EGADLP Cc1cc(C)cc(C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)c1 ZINC000903874817 1317740237 /nfs/dbraw/zinc/74/02/37/1317740237.db2.gz KIVIKYCPHAFJEX-UHFFFAOYSA-N 2 2 328.460 3.260 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001020571392 1317782410 /nfs/dbraw/zinc/78/24/10/1317782410.db2.gz MCPADDNOOIARBQ-BRWVUGGUSA-N 2 2 344.503 3.037 20 0 EGADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848427 1328718753 /nfs/dbraw/zinc/71/87/53/1328718753.db2.gz SCGUXNUQEJXAAU-JXFKEZNVSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848427 1328718757 /nfs/dbraw/zinc/71/87/57/1328718757.db2.gz SCGUXNUQEJXAAU-JXFKEZNVSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000929848427 1328718761 /nfs/dbraw/zinc/71/87/61/1328718761.db2.gz SCGUXNUQEJXAAU-JXFKEZNVSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848427 1328718763 /nfs/dbraw/zinc/71/87/63/1328718763.db2.gz SCGUXNUQEJXAAU-JXFKEZNVSA-N 2 2 338.499 3.217 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000809616941 1317845743 /nfs/dbraw/zinc/84/57/43/1317845743.db2.gz CGEKFSFXTAUTCO-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000809616941 1317845748 /nfs/dbraw/zinc/84/57/48/1317845748.db2.gz CGEKFSFXTAUTCO-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1ccc2ccccc2c1 ZINC001020818632 1317947105 /nfs/dbraw/zinc/94/71/05/1317947105.db2.gz VTPHBCCCDJFQJL-JVPBZIDWSA-N 2 2 348.450 3.103 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361920 1328745754 /nfs/dbraw/zinc/74/57/54/1328745754.db2.gz HUUYGELKYYXXCA-UBHSHLNASA-N 2 2 346.368 3.358 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361920 1328745758 /nfs/dbraw/zinc/74/57/58/1328745758.db2.gz HUUYGELKYYXXCA-UBHSHLNASA-N 2 2 346.368 3.358 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c(C)[nH+]1 ZINC000906483347 1318106994 /nfs/dbraw/zinc/10/69/94/1318106994.db2.gz FKRSIJOCIFSAIJ-UHFFFAOYSA-N 2 2 325.456 3.341 20 0 EGADLP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000960082569 1318343107 /nfs/dbraw/zinc/34/31/07/1318343107.db2.gz QVRZNOJTTUCAIA-ACBHZAAOSA-N 2 2 346.519 3.070 20 0 EGADLP CO[C@](C)(C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000812734844 1318445566 /nfs/dbraw/zinc/44/55/66/1318445566.db2.gz SFRUAYLKKWYFRC-HXUWFJFHSA-N 2 2 331.504 3.126 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCC1 ZINC000960681960 1318791563 /nfs/dbraw/zinc/79/15/63/1318791563.db2.gz UGXCCRKHOKZOPF-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCC1 ZINC000960681960 1318791567 /nfs/dbraw/zinc/79/15/67/1318791567.db2.gz UGXCCRKHOKZOPF-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960681960 1318791573 /nfs/dbraw/zinc/79/15/73/1318791573.db2.gz UGXCCRKHOKZOPF-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960681960 1318791577 /nfs/dbraw/zinc/79/15/77/1318791577.db2.gz UGXCCRKHOKZOPF-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1)CC1CCCCCC1 ZINC000960774303 1318874271 /nfs/dbraw/zinc/87/42/71/1318874271.db2.gz IJKFXXFDETVYRQ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1)CC1CCCCCC1 ZINC000960774303 1318874280 /nfs/dbraw/zinc/87/42/80/1318874280.db2.gz IJKFXXFDETVYRQ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC(C)(C)C3)C2)c(C)[nH+]1 ZINC001022461193 1318950962 /nfs/dbraw/zinc/95/09/62/1318950962.db2.gz CCESPUJRJKSENF-CALCHBBNSA-N 2 2 329.488 3.293 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819079538 1319629301 /nfs/dbraw/zinc/62/93/01/1319629301.db2.gz VQIUFTOOLVLPRH-XJKSGUPXSA-N 2 2 330.394 3.203 20 0 EGADLP CC(C)CC[C@@H](O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000819109137 1319637879 /nfs/dbraw/zinc/63/78/79/1319637879.db2.gz UJHOWNLJNAEPMV-HXUWFJFHSA-N 2 2 333.520 3.108 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000841852047 1321323509 /nfs/dbraw/zinc/32/35/09/1321323509.db2.gz VYAXKQKLGFNPGU-INIZCTEOSA-N 2 2 328.460 3.236 20 0 EGADLP CCn1c[nH+]cc1CNc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000841852047 1321323512 /nfs/dbraw/zinc/32/35/12/1321323512.db2.gz VYAXKQKLGFNPGU-INIZCTEOSA-N 2 2 328.460 3.236 20 0 EGADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048373 1321461527 /nfs/dbraw/zinc/46/15/27/1321461527.db2.gz NLDWJCGIIYYROI-AWEZNQCLSA-N 2 2 332.879 3.430 20 0 EGADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000843048373 1321461531 /nfs/dbraw/zinc/46/15/31/1321461531.db2.gz NLDWJCGIIYYROI-AWEZNQCLSA-N 2 2 332.879 3.430 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053091 1321462258 /nfs/dbraw/zinc/46/22/58/1321462258.db2.gz WXXBVGOSNWKQGC-AEFFLSMTSA-N 2 2 346.906 3.452 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053091 1321462259 /nfs/dbraw/zinc/46/22/59/1321462259.db2.gz WXXBVGOSNWKQGC-AEFFLSMTSA-N 2 2 346.906 3.452 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355226 1321505540 /nfs/dbraw/zinc/50/55/40/1321505540.db2.gz XCGNDDCPJHQPAP-DNVCBOLYSA-N 2 2 327.472 3.472 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000843355226 1321505543 /nfs/dbraw/zinc/50/55/43/1321505543.db2.gz XCGNDDCPJHQPAP-DNVCBOLYSA-N 2 2 327.472 3.472 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)c2cc1Cl ZINC000843381869 1321508821 /nfs/dbraw/zinc/50/88/21/1321508821.db2.gz KAQFMLHXYFIQPQ-GOSISDBHSA-N 2 2 334.847 3.180 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)c2cc1Cl ZINC000843381869 1321508823 /nfs/dbraw/zinc/50/88/23/1321508823.db2.gz KAQFMLHXYFIQPQ-GOSISDBHSA-N 2 2 334.847 3.180 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+](C)[C@H](C[NH3+])C3CC3)c2cc1C(C)C ZINC000843387673 1321509608 /nfs/dbraw/zinc/50/96/08/1321509608.db2.gz TVLOPOMEKCMKST-GOSISDBHSA-N 2 2 328.456 3.394 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C[NH3+])C3CC3)c2cc1C(C)C ZINC000843387673 1321509613 /nfs/dbraw/zinc/50/96/13/1321509613.db2.gz TVLOPOMEKCMKST-GOSISDBHSA-N 2 2 328.456 3.394 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000848568422 1321977986 /nfs/dbraw/zinc/97/79/86/1321977986.db2.gz HZDMLVUKNHKQLX-YZDRJCRTSA-N 2 2 328.500 3.423 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000848568422 1321977988 /nfs/dbraw/zinc/97/79/88/1321977988.db2.gz HZDMLVUKNHKQLX-YZDRJCRTSA-N 2 2 328.500 3.423 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)NC(=O)OC(C)(C)C ZINC000848568760 1321978042 /nfs/dbraw/zinc/97/80/42/1321978042.db2.gz QGSBLOITFGCHLW-VVLHAWIVSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)NC(=O)OC(C)(C)C ZINC000848568760 1321978049 /nfs/dbraw/zinc/97/80/49/1321978049.db2.gz QGSBLOITFGCHLW-VVLHAWIVSA-N 2 2 339.524 3.285 20 0 EGADLP Brc1c2ccccc2oc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521255 1322769053 /nfs/dbraw/zinc/76/90/53/1322769053.db2.gz LFUNIXZALPKFFQ-NWDGAFQWSA-N 2 2 335.245 3.237 20 0 EGADLP Brc1c2ccccc2oc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521255 1322769058 /nfs/dbraw/zinc/76/90/58/1322769058.db2.gz LFUNIXZALPKFFQ-NWDGAFQWSA-N 2 2 335.245 3.237 20 0 EGADLP C[NH+](C)C(C)(C)C[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924539083 1323046791 /nfs/dbraw/zinc/04/67/91/1323046791.db2.gz AOIWKMFSMUWQTA-UHFFFAOYSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000924668118 1323103853 /nfs/dbraw/zinc/10/38/53/1323103853.db2.gz OPPJRSRHURECDD-CABCVRRESA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000924668118 1323103859 /nfs/dbraw/zinc/10/38/59/1323103859.db2.gz OPPJRSRHURECDD-CABCVRRESA-N 2 2 328.460 3.461 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668035 1323103979 /nfs/dbraw/zinc/10/39/79/1323103979.db2.gz CHFRSFBNANMSMR-JTDSTZFVSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668035 1323103984 /nfs/dbraw/zinc/10/39/84/1323103984.db2.gz CHFRSFBNANMSMR-JTDSTZFVSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681684 1323111019 /nfs/dbraw/zinc/11/10/19/1323111019.db2.gz ZXSDOSXAYSZUSL-JTDSTZFVSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c2ncnn21 ZINC000924681684 1323111023 /nfs/dbraw/zinc/11/10/23/1323111023.db2.gz ZXSDOSXAYSZUSL-JTDSTZFVSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001024185155 1323196560 /nfs/dbraw/zinc/19/65/60/1323196560.db2.gz UWVXWNHGCLDHCN-MJGOQNOKSA-N 2 2 346.519 3.243 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440463 1323401082 /nfs/dbraw/zinc/40/10/82/1323401082.db2.gz PFAKFCGVQBHHEJ-QAPCUYQASA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440463 1323401086 /nfs/dbraw/zinc/40/10/86/1323401086.db2.gz PFAKFCGVQBHHEJ-QAPCUYQASA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025109165 1323899260 /nfs/dbraw/zinc/89/92/60/1323899260.db2.gz QABDBWQAJSMSGM-VQIMIIECSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025109165 1323899266 /nfs/dbraw/zinc/89/92/66/1323899266.db2.gz QABDBWQAJSMSGM-VQIMIIECSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)c1c[nH+]c[nH]1 ZINC001025138504 1323917407 /nfs/dbraw/zinc/91/74/07/1323917407.db2.gz PDFHJJBSJVUMOL-QGZVFWFLSA-N 2 2 344.503 3.158 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237042 1324028042 /nfs/dbraw/zinc/02/80/42/1324028042.db2.gz JDUXYMCEVVIHLB-RTBURBONSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237042 1324028046 /nfs/dbraw/zinc/02/80/46/1324028046.db2.gz JDUXYMCEVVIHLB-RTBURBONSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237042 1324028053 /nfs/dbraw/zinc/02/80/53/1324028053.db2.gz JDUXYMCEVVIHLB-RTBURBONSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237042 1324028057 /nfs/dbraw/zinc/02/80/57/1324028057.db2.gz JDUXYMCEVVIHLB-RTBURBONSA-N 2 2 344.503 3.154 20 0 EGADLP COC(=O)[C@@H]1CCCC[C@@H]1C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706588 1329167778 /nfs/dbraw/zinc/16/77/78/1329167778.db2.gz GOPHNNARJQMVCU-GUDVDZBRSA-N 2 2 341.455 3.193 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026583937 1324911854 /nfs/dbraw/zinc/91/18/54/1324911854.db2.gz KWHWVTMOGAZDPN-GTPINHCMSA-N 2 2 340.471 3.039 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)on1 ZINC000925133801 1325058809 /nfs/dbraw/zinc/05/88/09/1325058809.db2.gz DSLKWEPIYMKECB-DCGLDWPTSA-N 2 2 335.473 3.478 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)on1 ZINC000925133801 1325058814 /nfs/dbraw/zinc/05/88/14/1325058814.db2.gz DSLKWEPIYMKECB-DCGLDWPTSA-N 2 2 335.473 3.478 20 0 EGADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cn(C)cn1 ZINC000925281399 1325113337 /nfs/dbraw/zinc/11/33/37/1325113337.db2.gz XYMNWJMVURXETP-ULQDDVLXSA-N 2 2 326.488 3.227 20 0 EGADLP CC(C)CC[NH+]1CCC([NH2+]Cc2nc3cc(F)ccc3n2C)CC1 ZINC000925436387 1325149081 /nfs/dbraw/zinc/14/90/81/1325149081.db2.gz PGAFOCRLUMQNPS-UHFFFAOYSA-N 2 2 332.467 3.313 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000925532321 1325193732 /nfs/dbraw/zinc/19/37/32/1325193732.db2.gz QPMFEQKMFBAOAL-LPHOPBHVSA-N 2 2 334.467 3.315 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1C ZINC000925792777 1325302597 /nfs/dbraw/zinc/30/25/97/1325302597.db2.gz PYZOYZKZKOMLAR-IAGOWNOFSA-N 2 2 332.488 3.121 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925800093 1325307218 /nfs/dbraw/zinc/30/72/18/1325307218.db2.gz WMQJMDNQNPAUBC-IEBWSBKVSA-N 2 2 332.488 3.141 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000926111302 1325431974 /nfs/dbraw/zinc/43/19/74/1325431974.db2.gz BZOWAXHMFNTPDY-LNLFQRSKSA-N 2 2 341.503 3.420 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000926111302 1325431977 /nfs/dbraw/zinc/43/19/77/1325431977.db2.gz BZOWAXHMFNTPDY-LNLFQRSKSA-N 2 2 341.503 3.420 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174282 1325458218 /nfs/dbraw/zinc/45/82/18/1325458218.db2.gz QYOHUULZLKMDFJ-RISCZKNCSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1SC(F)(F)F ZINC000926174282 1325458222 /nfs/dbraw/zinc/45/82/22/1325458222.db2.gz QYOHUULZLKMDFJ-RISCZKNCSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609233 1327969211 /nfs/dbraw/zinc/96/92/11/1327969211.db2.gz BKTRCKHSYWEZAE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609233 1327969218 /nfs/dbraw/zinc/96/92/18/1327969218.db2.gz BKTRCKHSYWEZAE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609233 1327969226 /nfs/dbraw/zinc/96/92/26/1327969226.db2.gz BKTRCKHSYWEZAE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609233 1327969233 /nfs/dbraw/zinc/96/92/33/1327969233.db2.gz BKTRCKHSYWEZAE-LPHOPBHVSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633432 1327998048 /nfs/dbraw/zinc/99/80/48/1327998048.db2.gz WSGYMQZNKYHXPC-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633432 1327998056 /nfs/dbraw/zinc/99/80/56/1327998056.db2.gz WSGYMQZNKYHXPC-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)ccn12 ZINC000928004078 1328166649 /nfs/dbraw/zinc/16/66/49/1328166649.db2.gz BWEJPGVMYQIJFL-UHFFFAOYSA-N 2 2 340.471 3.170 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc3)nc12 ZINC000863651185 1329570536 /nfs/dbraw/zinc/57/05/36/1329570536.db2.gz CNASSTBGLMJIJM-MRXNPFEDSA-N 2 2 338.455 3.001 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc3)nc12 ZINC000863651185 1329570538 /nfs/dbraw/zinc/57/05/38/1329570538.db2.gz CNASSTBGLMJIJM-MRXNPFEDSA-N 2 2 338.455 3.001 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]([NH3+])CCC(C)C)n2)cn1 ZINC000863661154 1329572002 /nfs/dbraw/zinc/57/20/02/1329572002.db2.gz FEIAEJDIRMHHJS-AWEZNQCLSA-N 2 2 326.404 3.062 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H](O)C3CCCC3)CC2)cc1 ZINC000865875094 1329747816 /nfs/dbraw/zinc/74/78/16/1329747816.db2.gz LFJQKUILSPSFIS-OAQYLSRUSA-N 2 2 345.531 3.252 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703941 1330143029 /nfs/dbraw/zinc/14/30/29/1330143029.db2.gz QKMSJEFJPIEZIU-SFHVURJKSA-N 2 2 337.895 3.284 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703941 1330143030 /nfs/dbraw/zinc/14/30/30/1330143030.db2.gz QKMSJEFJPIEZIU-SFHVURJKSA-N 2 2 337.895 3.284 20 0 EGADLP CC1(C)C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940839610 1331214777 /nfs/dbraw/zinc/21/47/77/1331214777.db2.gz OSLYXJGYYXNQBV-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940839610 1331214781 /nfs/dbraw/zinc/21/47/81/1331214781.db2.gz OSLYXJGYYXNQBV-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)C[N@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061893 1331314494 /nfs/dbraw/zinc/31/44/94/1331314494.db2.gz SQPLQJLCMINBCL-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)C[N@@H+](CCCC2CCCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061893 1331314498 /nfs/dbraw/zinc/31/44/98/1331314498.db2.gz SQPLQJLCMINBCL-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537443 1331962855 /nfs/dbraw/zinc/96/28/55/1331962855.db2.gz BBIDGHYALBOLTQ-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537443 1331962859 /nfs/dbraw/zinc/96/28/59/1331962859.db2.gz BBIDGHYALBOLTQ-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C[C@@H]1C ZINC000944445658 1332413049 /nfs/dbraw/zinc/41/30/49/1332413049.db2.gz QIMCCOCMDZHRBI-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C[C@@H]1C ZINC000944445658 1332413051 /nfs/dbraw/zinc/41/30/51/1332413051.db2.gz QIMCCOCMDZHRBI-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3Cl)C[C@@H]2C1 ZINC001196788505 1368685528 /nfs/dbraw/zinc/68/55/28/1368685528.db2.gz BXCBLBMYYTYOHO-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3Cl)C[C@@H]2C1 ZINC001196788505 1368685530 /nfs/dbraw/zinc/68/55/30/1368685530.db2.gz BXCBLBMYYTYOHO-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947881818 1333289920 /nfs/dbraw/zinc/28/99/20/1333289920.db2.gz JRCYQYLORZTTJC-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000947881818 1333289921 /nfs/dbraw/zinc/28/99/21/1333289921.db2.gz JRCYQYLORZTTJC-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1C[NH+](CC=C(C)C)C1 ZINC000951362820 1334231469 /nfs/dbraw/zinc/23/14/69/1334231469.db2.gz YUZABJPHOLBSNY-HXUWFJFHSA-N 2 2 347.547 3.282 20 0 EGADLP CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1C[NH+](CC=C(C)C)C1 ZINC000951362820 1334231470 /nfs/dbraw/zinc/23/14/70/1334231470.db2.gz YUZABJPHOLBSNY-HXUWFJFHSA-N 2 2 347.547 3.282 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902303 1336085200 /nfs/dbraw/zinc/08/52/00/1336085200.db2.gz XXGQEQDMIOKDCP-KZNAEPCWSA-N 2 2 346.519 3.310 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902303 1336085203 /nfs/dbraw/zinc/08/52/03/1336085203.db2.gz XXGQEQDMIOKDCP-KZNAEPCWSA-N 2 2 346.519 3.310 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902303 1336085206 /nfs/dbraw/zinc/08/52/06/1336085206.db2.gz XXGQEQDMIOKDCP-KZNAEPCWSA-N 2 2 346.519 3.310 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902303 1336085209 /nfs/dbraw/zinc/08/52/09/1336085209.db2.gz XXGQEQDMIOKDCP-KZNAEPCWSA-N 2 2 346.519 3.310 20 0 EGADLP Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969971897 1336268218 /nfs/dbraw/zinc/26/82/18/1336268218.db2.gz FIKAYGLUVYMYDR-HNNXBMFYSA-N 2 2 348.450 3.122 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072826 1336963593 /nfs/dbraw/zinc/96/35/93/1336963593.db2.gz KAHGRWDRSMVDLD-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072826 1336963596 /nfs/dbraw/zinc/96/35/96/1336963596.db2.gz KAHGRWDRSMVDLD-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076600 1336963943 /nfs/dbraw/zinc/96/39/43/1336963943.db2.gz UZYSSQJOYHLNEJ-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076600 1336963946 /nfs/dbraw/zinc/96/39/46/1336963946.db2.gz UZYSSQJOYHLNEJ-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001206189540 1370987711 /nfs/dbraw/zinc/98/77/11/1370987711.db2.gz XEDZFFYMONLFTQ-STQMWFEESA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001206189540 1370987713 /nfs/dbraw/zinc/98/77/13/1370987713.db2.gz XEDZFFYMONLFTQ-STQMWFEESA-N 2 2 340.748 3.500 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206648737 1371119515 /nfs/dbraw/zinc/11/95/15/1371119515.db2.gz OSFXTHHDEWIAGG-ZDUSSCGKSA-N 2 2 341.293 3.327 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206648737 1371119516 /nfs/dbraw/zinc/11/95/16/1371119516.db2.gz OSFXTHHDEWIAGG-ZDUSSCGKSA-N 2 2 341.293 3.327 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206806134 1371175059 /nfs/dbraw/zinc/17/50/59/1371175059.db2.gz FPIKWKBBHVPSEP-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1 ZINC001206806134 1371175064 /nfs/dbraw/zinc/17/50/64/1371175064.db2.gz FPIKWKBBHVPSEP-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206812221 1371177388 /nfs/dbraw/zinc/17/73/88/1371177388.db2.gz YGYVYGBSFBUFTQ-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031049380 1341270076 /nfs/dbraw/zinc/27/00/76/1341270076.db2.gz CJDLTTXRHJKDIV-YLJYHZDGSA-N 2 2 343.515 3.203 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031844408 1341410932 /nfs/dbraw/zinc/41/09/32/1341410932.db2.gz NOSIXHZXXJLVRU-SFHVURJKSA-N 2 2 348.450 3.147 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)n1cc[nH+]c1 ZINC001032657169 1341572308 /nfs/dbraw/zinc/57/23/08/1341572308.db2.gz ZUOXCMMEPAUXSL-WDSOQIARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1)n1cc[nH+]c1 ZINC001032657169 1341572309 /nfs/dbraw/zinc/57/23/09/1341572309.db2.gz ZUOXCMMEPAUXSL-WDSOQIARSA-N 2 2 344.503 3.090 20 0 EGADLP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033913091 1342082450 /nfs/dbraw/zinc/08/24/50/1342082450.db2.gz NPWFLFXMRQQLMY-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033913091 1342082452 /nfs/dbraw/zinc/08/24/52/1342082452.db2.gz NPWFLFXMRQQLMY-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034743845 1342731935 /nfs/dbraw/zinc/73/19/35/1342731935.db2.gz COCZCFKMGOTOLQ-ULQDDVLXSA-N 2 2 340.471 3.039 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)CC[NH2+]1 ZINC001210496795 1372366417 /nfs/dbraw/zinc/36/64/17/1372366417.db2.gz JTLCBBRNSVAWPL-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)CC[NH2+]1 ZINC001210496795 1372366419 /nfs/dbraw/zinc/36/64/19/1372366419.db2.gz JTLCBBRNSVAWPL-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001036122436 1343316325 /nfs/dbraw/zinc/31/63/25/1343316325.db2.gz DXMVOBFARWAYBJ-MJGOQNOKSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037883252 1344158658 /nfs/dbraw/zinc/15/86/58/1344158658.db2.gz KHDVTHLPEAQXOB-DOTOQJQBSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1[NH2+]CC(C)C ZINC001037884942 1344160150 /nfs/dbraw/zinc/16/01/50/1344160150.db2.gz BLODXWNMJBWURU-QZTJIDSGSA-N 2 2 331.504 3.493 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1CCCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038417337 1344419149 /nfs/dbraw/zinc/41/91/49/1344419149.db2.gz RFZNVTDSSJSHIF-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1CCCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038417337 1344419151 /nfs/dbraw/zinc/41/91/51/1344419151.db2.gz RFZNVTDSSJSHIF-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415718 1344419191 /nfs/dbraw/zinc/41/91/91/1344419191.db2.gz JAYSXFYUYNMWLP-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C)c(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038415718 1344419194 /nfs/dbraw/zinc/41/91/94/1344419194.db2.gz JAYSXFYUYNMWLP-GOSISDBHSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418700 1344420256 /nfs/dbraw/zinc/42/02/56/1344420256.db2.gz YTPUNFPYULHUGC-WBVHZDCISA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038418700 1344420257 /nfs/dbraw/zinc/42/02/57/1344420257.db2.gz YTPUNFPYULHUGC-WBVHZDCISA-N 2 2 348.450 3.437 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039685377 1345158787 /nfs/dbraw/zinc/15/87/87/1345158787.db2.gz LEQMCCUXQJLRHB-HSALFYBXSA-N 2 2 345.531 3.036 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039685377 1345158791 /nfs/dbraw/zinc/15/87/91/1345158791.db2.gz LEQMCCUXQJLRHB-HSALFYBXSA-N 2 2 345.531 3.036 20 0 EGADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001039685377 1345158795 /nfs/dbraw/zinc/15/87/95/1345158795.db2.gz LEQMCCUXQJLRHB-HSALFYBXSA-N 2 2 345.531 3.036 20 0 EGADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001039685377 1345158798 /nfs/dbraw/zinc/15/87/98/1345158798.db2.gz LEQMCCUXQJLRHB-HSALFYBXSA-N 2 2 345.531 3.036 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001039935717 1345250328 /nfs/dbraw/zinc/25/03/28/1345250328.db2.gz KJFDIDYSJCFSQL-KURKYZTESA-N 2 2 346.519 3.336 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001039935717 1345250331 /nfs/dbraw/zinc/25/03/31/1345250331.db2.gz KJFDIDYSJCFSQL-KURKYZTESA-N 2 2 346.519 3.336 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868495 1345590020 /nfs/dbraw/zinc/59/00/20/1345590020.db2.gz SJVNHIJNPDSWKH-ROUUACIJSA-N 2 2 346.519 3.195 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043092730 1346139417 /nfs/dbraw/zinc/13/94/17/1346139417.db2.gz YDUFKXMFCFBHBJ-UHFFFAOYSA-N 2 2 338.455 3.210 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232794 1346155922 /nfs/dbraw/zinc/15/59/22/1346155922.db2.gz VSTQTDZCFRKWTF-INIZCTEOSA-N 2 2 348.450 3.160 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934668 1346772498 /nfs/dbraw/zinc/77/24/98/1346772498.db2.gz AIBNMABGJNOWOY-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045934668 1346772502 /nfs/dbraw/zinc/77/25/02/1346772502.db2.gz AIBNMABGJNOWOY-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001047821320 1347381170 /nfs/dbraw/zinc/38/11/70/1347381170.db2.gz OXBUBDUQXJGWLS-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1 ZINC001052898050 1348733090 /nfs/dbraw/zinc/73/30/90/1348733090.db2.gz SEPTYUSSZWZYEP-GOSISDBHSA-N 2 2 344.503 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001052898050 1348733094 /nfs/dbraw/zinc/73/30/94/1348733094.db2.gz SEPTYUSSZWZYEP-GOSISDBHSA-N 2 2 344.503 3.122 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053027559 1348825482 /nfs/dbraw/zinc/82/54/82/1348825482.db2.gz DSKFDMUQZPUMQG-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053027559 1348825484 /nfs/dbraw/zinc/82/54/84/1348825484.db2.gz DSKFDMUQZPUMQG-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053027559 1348825486 /nfs/dbraw/zinc/82/54/86/1348825486.db2.gz DSKFDMUQZPUMQG-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053027559 1348825489 /nfs/dbraw/zinc/82/54/89/1348825489.db2.gz DSKFDMUQZPUMQG-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032015 1348832654 /nfs/dbraw/zinc/83/26/54/1348832654.db2.gz MSVJWBXLBXBHCI-CVEARBPZSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001053032015 1348832657 /nfs/dbraw/zinc/83/26/57/1348832657.db2.gz MSVJWBXLBXBHCI-CVEARBPZSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092228 1348917953 /nfs/dbraw/zinc/91/79/53/1348917953.db2.gz FUXHPUUVHKGGPV-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092228 1348917957 /nfs/dbraw/zinc/91/79/57/1348917957.db2.gz FUXHPUUVHKGGPV-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001053105621 1348943538 /nfs/dbraw/zinc/94/35/38/1348943538.db2.gz QAIHMWFFLRRXFW-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001053105621 1348943539 /nfs/dbraw/zinc/94/35/39/1348943539.db2.gz QAIHMWFFLRRXFW-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]2C)cc1 ZINC001054797412 1349464753 /nfs/dbraw/zinc/46/47/53/1349464753.db2.gz GLMQDEUQZZIGLP-MGPUTAFESA-N 2 2 348.450 3.122 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071605598 1354791222 /nfs/dbraw/zinc/79/12/22/1354791222.db2.gz BGPFDPUPPSJCIE-WMZOPIPTSA-N 2 2 348.535 3.332 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001071605598 1354791223 /nfs/dbraw/zinc/79/12/23/1354791223.db2.gz BGPFDPUPPSJCIE-WMZOPIPTSA-N 2 2 348.535 3.332 20 0 EGADLP CC(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954353 1355040727 /nfs/dbraw/zinc/04/07/27/1355040727.db2.gz NTFDNHNNRSDGMN-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071954353 1355040732 /nfs/dbraw/zinc/04/07/32/1355040732.db2.gz NTFDNHNNRSDGMN-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]Cc2ccccc2)C2CC2)c(C)[nH+]1 ZINC001323036302 1387272669 /nfs/dbraw/zinc/27/26/69/1387272669.db2.gz SNBSNMAENBMZTE-LJQANCHMSA-N 2 2 337.467 3.305 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457683 1356389781 /nfs/dbraw/zinc/38/97/81/1356389781.db2.gz ZZFGLCKVCVCEGD-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001075457683 1356389785 /nfs/dbraw/zinc/38/97/85/1356389785.db2.gz ZZFGLCKVCVCEGD-SFHVURJKSA-N 2 2 346.519 3.022 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271709 1387289074 /nfs/dbraw/zinc/28/90/74/1387289074.db2.gz ODFVGBABUNMLSQ-SQKUUZPOSA-N 2 2 346.519 3.081 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)c1cccc2[nH+]ccn21 ZINC001085271860 1358448665 /nfs/dbraw/zinc/44/86/65/1358448665.db2.gz AWTCMXYIBWGXSN-IAGOWNOFSA-N 2 2 340.471 3.155 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374707 1358481810 /nfs/dbraw/zinc/48/18/10/1358481810.db2.gz FJLPKZPZYPMQSF-CGTJXYLNSA-N 2 2 340.471 3.039 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001086948105 1359269724 /nfs/dbraw/zinc/26/97/24/1359269724.db2.gz PWRCWOPCSPTOHE-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001086948105 1359269725 /nfs/dbraw/zinc/26/97/25/1359269725.db2.gz PWRCWOPCSPTOHE-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C[NH2+]CC2CCC2)C1 ZINC001087181849 1359314720 /nfs/dbraw/zinc/31/47/20/1359314720.db2.gz LYHSHJACPBHVBH-PBHICJAKSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CC(C)C1 ZINC001087624627 1359561041 /nfs/dbraw/zinc/56/10/41/1359561041.db2.gz PXPMODPCUUPIAA-PLQDADFZSA-N 2 2 340.471 3.192 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CC(C)C1 ZINC001087624627 1359561043 /nfs/dbraw/zinc/56/10/43/1359561043.db2.gz PXPMODPCUUPIAA-PLQDADFZSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955373 1360113585 /nfs/dbraw/zinc/11/35/85/1360113585.db2.gz KYYPKVZPWOQIPD-APWZRJJASA-N 2 2 338.455 3.031 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001088955373 1360113587 /nfs/dbraw/zinc/11/35/87/1360113587.db2.gz KYYPKVZPWOQIPD-APWZRJJASA-N 2 2 338.455 3.031 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)[C@@H]1C ZINC001089006204 1360134885 /nfs/dbraw/zinc/13/48/85/1360134885.db2.gz SINZGCPYVYCKEY-AEFFLSMTSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCCCC2)[C@@H]1C ZINC001089006204 1360134887 /nfs/dbraw/zinc/13/48/87/1360134887.db2.gz SINZGCPYVYCKEY-AEFFLSMTSA-N 2 2 346.519 3.200 20 0 EGADLP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399712 1387449081 /nfs/dbraw/zinc/44/90/81/1387449081.db2.gz MAYCTLZYUWHVLQ-QAPCUYQASA-N 2 2 342.487 3.131 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785494 1361219937 /nfs/dbraw/zinc/21/99/37/1361219937.db2.gz FJVUAONKBFBGGH-KKVAFCGZSA-N 2 2 340.471 3.003 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@]2(C)C1 ZINC001091785494 1361219938 /nfs/dbraw/zinc/21/99/38/1361219938.db2.gz FJVUAONKBFBGGH-KKVAFCGZSA-N 2 2 340.471 3.003 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468860 1361816694 /nfs/dbraw/zinc/81/66/94/1361816694.db2.gz WXPYWYILQKUYLE-YLJYHZDGSA-N 2 2 340.471 3.109 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001094468860 1361816697 /nfs/dbraw/zinc/81/66/97/1361816697.db2.gz WXPYWYILQKUYLE-YLJYHZDGSA-N 2 2 340.471 3.109 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903386 1363512879 /nfs/dbraw/zinc/51/28/79/1363512879.db2.gz LIKYLEMIAMEHPA-JXFKEZNVSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903386 1363512883 /nfs/dbraw/zinc/51/28/83/1363512883.db2.gz LIKYLEMIAMEHPA-JXFKEZNVSA-N 2 2 340.471 3.193 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001324516423 1387657812 /nfs/dbraw/zinc/65/78/12/1387657812.db2.gz NNECUGQEEXGRSD-CYBMUJFWSA-N 2 2 347.846 3.257 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC001324516423 1387657814 /nfs/dbraw/zinc/65/78/14/1387657814.db2.gz NNECUGQEEXGRSD-CYBMUJFWSA-N 2 2 347.846 3.257 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001100819517 1364277691 /nfs/dbraw/zinc/27/76/91/1364277691.db2.gz XWEGLPMXFZNSBL-KLHKWILBSA-N 2 2 340.471 3.016 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC001100920804 1364331628 /nfs/dbraw/zinc/33/16/28/1364331628.db2.gz BLRLOJPJEMFKAF-UHFFFAOYSA-N 2 2 346.519 3.106 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414589 1365045315 /nfs/dbraw/zinc/04/53/15/1365045315.db2.gz KBCRRJXMCAAOFE-FGTMMUONSA-N 2 2 334.508 3.099 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414589 1365045317 /nfs/dbraw/zinc/04/53/17/1365045317.db2.gz KBCRRJXMCAAOFE-FGTMMUONSA-N 2 2 334.508 3.099 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185493874 1387731867 /nfs/dbraw/zinc/73/18/67/1387731867.db2.gz YPAZBCZEQGKWKC-RDJZCZTQSA-N 2 2 348.535 3.198 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106952 1365383429 /nfs/dbraw/zinc/38/34/29/1365383429.db2.gz OBRGWDBLWYCYHS-VDHUWJSZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001103106952 1365383433 /nfs/dbraw/zinc/38/34/33/1365383433.db2.gz OBRGWDBLWYCYHS-VDHUWJSZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106952 1365383437 /nfs/dbraw/zinc/38/34/37/1365383437.db2.gz OBRGWDBLWYCYHS-VDHUWJSZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001103106952 1365383440 /nfs/dbraw/zinc/38/34/40/1365383440.db2.gz OBRGWDBLWYCYHS-VDHUWJSZSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](CC3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001103253978 1365458713 /nfs/dbraw/zinc/45/87/13/1365458713.db2.gz YKTQRQBVCNTMQG-RDTXWAMCSA-N 2 2 329.488 3.105 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](CC3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001103253978 1365458715 /nfs/dbraw/zinc/45/87/15/1365458715.db2.gz YKTQRQBVCNTMQG-RDTXWAMCSA-N 2 2 329.488 3.105 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479555 1365587254 /nfs/dbraw/zinc/58/72/54/1365587254.db2.gz OVIAWIHHODCKST-UWCDRFHNSA-N 2 2 346.519 3.265 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001103479555 1365587256 /nfs/dbraw/zinc/58/72/56/1365587256.db2.gz OVIAWIHHODCKST-UWCDRFHNSA-N 2 2 346.519 3.265 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001104132938 1365921542 /nfs/dbraw/zinc/92/15/42/1365921542.db2.gz ILUDOPFNFYNSDS-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738158 1366151385 /nfs/dbraw/zinc/15/13/85/1366151385.db2.gz IUWWIZICOHEWSW-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104775895 1366167268 /nfs/dbraw/zinc/16/72/68/1366167268.db2.gz QGEQSYOSZIXTNV-FZGCCYDFSA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104775895 1366167271 /nfs/dbraw/zinc/16/72/71/1366167271.db2.gz QGEQSYOSZIXTNV-FZGCCYDFSA-N 2 2 346.519 3.019 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777397 1366168463 /nfs/dbraw/zinc/16/84/63/1366168463.db2.gz ISVXLTWAQADPNY-KZNAEPCWSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777397 1366168465 /nfs/dbraw/zinc/16/84/65/1366168465.db2.gz ISVXLTWAQADPNY-KZNAEPCWSA-N 2 2 348.535 3.243 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001185787341 1387799227 /nfs/dbraw/zinc/79/92/27/1387799227.db2.gz FKILTUHQMOGVAO-OJBOGMDESA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)CCC1 ZINC001105551647 1366526594 /nfs/dbraw/zinc/52/65/94/1366526594.db2.gz JIQIKUBPHNEULP-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566492 1366534681 /nfs/dbraw/zinc/53/46/81/1366534681.db2.gz NYAFQUUKLCMWTC-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318249 1366651443 /nfs/dbraw/zinc/65/14/43/1366651443.db2.gz BAHVEGQCONJGQC-RHSMWYFYSA-N 2 2 342.487 3.297 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318798 1366651474 /nfs/dbraw/zinc/65/14/74/1366651474.db2.gz NJQLPNWAGWOOMM-GDBMZVCRSA-N 2 2 328.460 3.051 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001106318598 1366651599 /nfs/dbraw/zinc/65/15/99/1366651599.db2.gz JDVXAGTUFWJBQA-GWOVIKRFSA-N 2 2 340.471 3.217 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285862 1367039431 /nfs/dbraw/zinc/03/94/31/1367039431.db2.gz QGWXZWNGMWAZPM-SQNIBIBYSA-N 2 2 340.471 3.168 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001109285862 1367039435 /nfs/dbraw/zinc/03/94/35/1367039435.db2.gz QGWXZWNGMWAZPM-SQNIBIBYSA-N 2 2 340.471 3.168 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCC(C)C)c[nH+]1 ZINC001109440382 1367121767 /nfs/dbraw/zinc/12/17/67/1367121767.db2.gz RVUQNSQUGZJMQP-SQNIBIBYSA-N 2 2 346.519 3.084 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC(C)C)c[nH+]1 ZINC001109440382 1367121769 /nfs/dbraw/zinc/12/17/69/1367121769.db2.gz RVUQNSQUGZJMQP-SQNIBIBYSA-N 2 2 346.519 3.084 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321450 1367476853 /nfs/dbraw/zinc/47/68/53/1367476853.db2.gz VCAIKLQOZSWOAV-KEGWNNHHSA-N 2 2 340.471 3.227 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321450 1367476854 /nfs/dbraw/zinc/47/68/54/1367476854.db2.gz VCAIKLQOZSWOAV-KEGWNNHHSA-N 2 2 340.471 3.227 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699539 1367540412 /nfs/dbraw/zinc/54/04/12/1367540412.db2.gz FBDGARJBUWSVGJ-ZOPGNSJXSA-N 2 2 344.503 3.058 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699539 1367540418 /nfs/dbraw/zinc/54/04/18/1367540418.db2.gz FBDGARJBUWSVGJ-ZOPGNSJXSA-N 2 2 344.503 3.058 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(Br)c3Cl)C[C@@H]2C1 ZINC001196788505 1368685522 /nfs/dbraw/zinc/68/55/22/1368685522.db2.gz BXCBLBMYYTYOHO-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(Br)c3Cl)C[C@@H]2C1 ZINC001196788505 1368685525 /nfs/dbraw/zinc/68/55/25/1368685525.db2.gz BXCBLBMYYTYOHO-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP CCC(CC)[C@H](C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC001199170629 1369187574 /nfs/dbraw/zinc/18/75/74/1369187574.db2.gz KQPSKYLOASZSHK-YYWHXJBOSA-N 2 2 331.548 3.463 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(C)c(C)c2)CC1)[NH+](CC)CC ZINC001113340903 1369359101 /nfs/dbraw/zinc/35/91/01/1369359101.db2.gz FFNSQYLYMSUOMC-FQEVSTJZSA-N 2 2 345.531 3.068 20 0 EGADLP CC/C=C\CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529186 1369479302 /nfs/dbraw/zinc/47/93/02/1369479302.db2.gz HVKLQMMIKBKVSM-HCZHMGAMSA-N 2 2 343.515 3.180 20 0 EGADLP CC/C=C\CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529186 1369479305 /nfs/dbraw/zinc/47/93/05/1369479305.db2.gz HVKLQMMIKBKVSM-HCZHMGAMSA-N 2 2 343.515 3.180 20 0 EGADLP C[NH+](C)Cc1cccc(Nc2ccccc2C[NH+]2CCOCC2)c1 ZINC001201396916 1369535933 /nfs/dbraw/zinc/53/59/33/1369535933.db2.gz HLULOXXPUUZXLJ-UHFFFAOYSA-N 2 2 325.456 3.324 20 0 EGADLP CCCC[NH2+][C@@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190952 1370017316 /nfs/dbraw/zinc/01/73/16/1370017316.db2.gz BQBBTBQXMIFWJE-SJORKVTESA-N 2 2 329.488 3.438 20 0 EGADLP CCc1[nH]c(C[NH+]2CCC3(CC[C@@H](COC(C)=O)C3)CC2)c(C)[nH+]1 ZINC001203251213 1370041392 /nfs/dbraw/zinc/04/13/92/1370041392.db2.gz MWWAXJOEIDNIJD-MRXNPFEDSA-N 2 2 333.476 3.226 20 0 EGADLP CCC/C=C/CC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337002 1370088412 /nfs/dbraw/zinc/08/84/12/1370088412.db2.gz CRXGOEONPOSISJ-VOTSOKGWSA-N 2 2 332.492 3.014 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203661981 1370207451 /nfs/dbraw/zinc/20/74/51/1370207451.db2.gz XFCGJWVSDULPKT-IRXDYDNUSA-N 2 2 346.519 3.104 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC001203724258 1370235928 /nfs/dbraw/zinc/23/59/28/1370235928.db2.gz DJPCQVBBVWRZRS-FQEVSTJZSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC001203724258 1370235931 /nfs/dbraw/zinc/23/59/31/1370235931.db2.gz DJPCQVBBVWRZRS-FQEVSTJZSA-N 2 2 346.515 3.387 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccc[nH]1)C2 ZINC001204004443 1370344620 /nfs/dbraw/zinc/34/46/20/1370344620.db2.gz ADDSDRIXOWJRPT-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1ccc[nH]1)C2 ZINC001204004443 1370344624 /nfs/dbraw/zinc/34/46/24/1370344624.db2.gz ADDSDRIXOWJRPT-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccc[nH]1)C2 ZINC001204004443 1370344633 /nfs/dbraw/zinc/34/46/33/1370344633.db2.gz ADDSDRIXOWJRPT-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccc[nH]1)C2 ZINC001204004443 1370344637 /nfs/dbraw/zinc/34/46/37/1370344637.db2.gz ADDSDRIXOWJRPT-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP CSc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204139231 1370386971 /nfs/dbraw/zinc/38/69/71/1370386971.db2.gz GMWUVLQFHHKYTH-HDICACEKSA-N 2 2 339.508 3.367 20 0 EGADLP CSc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204139231 1370386976 /nfs/dbraw/zinc/38/69/76/1370386976.db2.gz GMWUVLQFHHKYTH-HDICACEKSA-N 2 2 339.508 3.367 20 0 EGADLP CSc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204139231 1370386977 /nfs/dbraw/zinc/38/69/77/1370386977.db2.gz GMWUVLQFHHKYTH-HDICACEKSA-N 2 2 339.508 3.367 20 0 EGADLP CSc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001204139231 1370386982 /nfs/dbraw/zinc/38/69/82/1370386982.db2.gz GMWUVLQFHHKYTH-HDICACEKSA-N 2 2 339.508 3.367 20 0 EGADLP Fc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001204224613 1370414051 /nfs/dbraw/zinc/41/40/51/1370414051.db2.gz POXNCVLRJWNXOD-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001204224613 1370414055 /nfs/dbraw/zinc/41/40/55/1370414055.db2.gz POXNCVLRJWNXOD-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001204224613 1370414061 /nfs/dbraw/zinc/41/40/61/1370414061.db2.gz POXNCVLRJWNXOD-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1F ZINC001204224613 1370414064 /nfs/dbraw/zinc/41/40/64/1370414064.db2.gz POXNCVLRJWNXOD-MSOLQXFVSA-N 2 2 343.421 3.314 20 0 EGADLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c2ccccc21 ZINC001204315121 1370440860 /nfs/dbraw/zinc/44/08/60/1370440860.db2.gz SAVKKQCGSDKPBQ-ROUUACIJSA-N 2 2 346.478 3.137 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3cc(F)ccc3Br)C2)CC1 ZINC001204543113 1370510080 /nfs/dbraw/zinc/51/00/80/1370510080.db2.gz VVGRIMJERSWKHV-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP COc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC001204561867 1370516300 /nfs/dbraw/zinc/51/63/00/1370516300.db2.gz WWEMMESZOPJVOF-OALUTQOASA-N 2 2 340.442 3.398 20 0 EGADLP FC(F)(F)c1ccc(N2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001204749131 1370564535 /nfs/dbraw/zinc/56/45/35/1370564535.db2.gz ZEEGWKXJLPBSGF-INIZCTEOSA-N 2 2 341.421 3.360 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@@H+]3CCC[C@](C)([NH3+])C3)c2)cc1 ZINC001204947512 1370613147 /nfs/dbraw/zinc/61/31/47/1370613147.db2.gz ZTIOOHUGUZMWFW-NRFANRHFSA-N 2 2 338.451 3.453 20 0 EGADLP COC(=O)c1ccc(-c2cccc(C[N@H+]3CCC[C@](C)([NH3+])C3)c2)cc1 ZINC001204947512 1370613149 /nfs/dbraw/zinc/61/31/49/1370613149.db2.gz ZTIOOHUGUZMWFW-NRFANRHFSA-N 2 2 338.451 3.453 20 0 EGADLP CC[C@H](C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627836 1370621114 /nfs/dbraw/zinc/62/11/14/1370621114.db2.gz UKAUNXKQZVHTNL-INIZCTEOSA-N 2 2 342.487 3.403 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124533 1370657880 /nfs/dbraw/zinc/65/78/80/1370657880.db2.gz ULSFBFAOHRHYQH-CQSZACIVSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205124533 1370657883 /nfs/dbraw/zinc/65/78/83/1370657883.db2.gz ULSFBFAOHRHYQH-CQSZACIVSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205124710 1370658181 /nfs/dbraw/zinc/65/81/81/1370658181.db2.gz YNRSTODSNIBKOM-GFCCVEGCSA-N 2 2 332.366 3.036 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C(F)(F)F)c1OC ZINC001205124710 1370658184 /nfs/dbraw/zinc/65/81/84/1370658184.db2.gz YNRSTODSNIBKOM-GFCCVEGCSA-N 2 2 332.366 3.036 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115725024 1370705966 /nfs/dbraw/zinc/70/59/66/1370705966.db2.gz GCURTHHKDLCPBG-MRXNPFEDSA-N 2 2 346.519 3.429 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001205332873 1370724449 /nfs/dbraw/zinc/72/44/49/1370724449.db2.gz VOJCNYKZMUHDCX-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001205332873 1370724453 /nfs/dbraw/zinc/72/44/53/1370724453.db2.gz VOJCNYKZMUHDCX-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP CC(C)=CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752578 1370734534 /nfs/dbraw/zinc/73/45/34/1370734534.db2.gz KILWGKDZWUETKY-KRWDZBQOSA-N 2 2 332.492 3.209 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765813 1370750477 /nfs/dbraw/zinc/75/04/77/1370750477.db2.gz GYFVIHMCNFPPTD-INIZCTEOSA-N 2 2 348.535 3.433 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765813 1370750478 /nfs/dbraw/zinc/75/04/78/1370750478.db2.gz GYFVIHMCNFPPTD-INIZCTEOSA-N 2 2 348.535 3.433 20 0 EGADLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001205578439 1370798129 /nfs/dbraw/zinc/79/81/29/1370798129.db2.gz BYFDPGRUEFOIIV-QGZVFWFLSA-N 3 2 336.842 3.179 20 0 EGADLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001205578439 1370798132 /nfs/dbraw/zinc/79/81/32/1370798132.db2.gz BYFDPGRUEFOIIV-QGZVFWFLSA-N 3 2 336.842 3.179 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]CCC3CC3)CC2)c(C)[nH+]1 ZINC001205728316 1370853503 /nfs/dbraw/zinc/85/35/03/1370853503.db2.gz ORVKGDCRDOPUEX-UHFFFAOYSA-N 2 2 329.488 3.249 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc21 ZINC001205795988 1370874754 /nfs/dbraw/zinc/87/47/54/1370874754.db2.gz MQCIDRCKLRCLJG-MRXNPFEDSA-N 3 2 335.442 3.104 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc21 ZINC001205795988 1370874758 /nfs/dbraw/zinc/87/47/58/1370874758.db2.gz MQCIDRCKLRCLJG-MRXNPFEDSA-N 3 2 335.442 3.104 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)CC(C)C)[nH+]1 ZINC001116350755 1370891543 /nfs/dbraw/zinc/89/15/43/1370891543.db2.gz MLCWLQYGJJDTRG-ZWKOTPCHSA-N 2 2 346.519 3.159 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)CC(C)C)[nH+]1 ZINC001116350755 1370891547 /nfs/dbraw/zinc/89/15/47/1370891547.db2.gz MLCWLQYGJJDTRG-ZWKOTPCHSA-N 2 2 346.519 3.159 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205856722 1370893780 /nfs/dbraw/zinc/89/37/80/1370893780.db2.gz YCLFIHVAHZAELG-LSDHHAIUSA-N 2 2 328.456 3.416 20 0 EGADLP COc1cc(OC)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2ccccc12 ZINC001205856722 1370893788 /nfs/dbraw/zinc/89/37/88/1370893788.db2.gz YCLFIHVAHZAELG-LSDHHAIUSA-N 2 2 328.456 3.416 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Br)cc1F ZINC001205912715 1370908456 /nfs/dbraw/zinc/90/84/56/1370908456.db2.gz BTTNTLJDRVVWFW-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(Br)cc1F ZINC001205912715 1370908459 /nfs/dbraw/zinc/90/84/59/1370908459.db2.gz BTTNTLJDRVVWFW-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@@H]1F ZINC001206182494 1370984129 /nfs/dbraw/zinc/98/41/29/1370984129.db2.gz AMDROWJEURRVDP-STQMWFEESA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@@H]1F ZINC001206182494 1370984133 /nfs/dbraw/zinc/98/41/33/1370984133.db2.gz AMDROWJEURRVDP-STQMWFEESA-N 2 2 340.240 3.192 20 0 EGADLP COc1cnccc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001206438787 1371054917 /nfs/dbraw/zinc/05/49/17/1371054917.db2.gz TWGYFNDEWUEQFI-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206572845 1371097608 /nfs/dbraw/zinc/09/76/08/1371097608.db2.gz GAKKZZLHNNFGJT-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206572845 1371097614 /nfs/dbraw/zinc/09/76/14/1371097614.db2.gz GAKKZZLHNNFGJT-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1Br ZINC001206649537 1371119973 /nfs/dbraw/zinc/11/99/73/1371119973.db2.gz VPTZHNJCODMLBO-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(F)c1Br ZINC001206649537 1371119976 /nfs/dbraw/zinc/11/99/76/1371119976.db2.gz VPTZHNJCODMLBO-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206772217 1371160418 /nfs/dbraw/zinc/16/04/18/1371160418.db2.gz ZIXBGKNNUSQRPU-STQMWFEESA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206772217 1371160421 /nfs/dbraw/zinc/16/04/21/1371160421.db2.gz ZIXBGKNNUSQRPU-STQMWFEESA-N 2 2 333.863 3.456 20 0 EGADLP Cc1[nH+]cc(CN(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)n1C ZINC001206795654 1371168776 /nfs/dbraw/zinc/16/87/76/1371168776.db2.gz JJOXETXVSZNRTM-JXFKEZNVSA-N 2 2 326.488 3.071 20 0 EGADLP Cc1[nH+]cc(CN(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)n1C ZINC001206795654 1371168781 /nfs/dbraw/zinc/16/87/81/1371168781.db2.gz JJOXETXVSZNRTM-JXFKEZNVSA-N 2 2 326.488 3.071 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206812221 1371177387 /nfs/dbraw/zinc/17/73/87/1371177387.db2.gz YGYVYGBSFBUFTQ-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206905966 1371217427 /nfs/dbraw/zinc/21/74/27/1371217427.db2.gz XSOUBUYRDPUYNE-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922430 1371226176 /nfs/dbraw/zinc/22/61/76/1371226176.db2.gz LYRINJHWWXOEIC-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206922430 1371226179 /nfs/dbraw/zinc/22/61/79/1371226179.db2.gz LYRINJHWWXOEIC-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cnc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cn1 ZINC001207077550 1371286617 /nfs/dbraw/zinc/28/66/17/1371286617.db2.gz VALORSIZTMVKME-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1cnc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cn1 ZINC001207077550 1371286621 /nfs/dbraw/zinc/28/66/21/1371286621.db2.gz VALORSIZTMVKME-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1cnc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cn1 ZINC001207077550 1371286623 /nfs/dbraw/zinc/28/66/23/1371286623.db2.gz VALORSIZTMVKME-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1cnc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cn1 ZINC001207077550 1371286627 /nfs/dbraw/zinc/28/66/27/1371286627.db2.gz VALORSIZTMVKME-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1cc(C)c(CNC(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c[nH+]1 ZINC001120537513 1371602893 /nfs/dbraw/zinc/60/28/93/1371602893.db2.gz APBUBKYKOCEOAR-KRWDZBQOSA-N 2 2 344.503 3.010 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386778 1371746937 /nfs/dbraw/zinc/74/69/37/1371746937.db2.gz HMOBXMRVMQJAOU-MOPGFXCFSA-N 2 2 348.535 3.487 20 0 EGADLP CCCCCC[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208550926 1371812685 /nfs/dbraw/zinc/81/26/85/1371812685.db2.gz FSIWIYQUAWYSOT-INIZCTEOSA-N 2 2 328.460 3.109 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208604788 1371838900 /nfs/dbraw/zinc/83/89/00/1371838900.db2.gz VNVFIGYJOAFLRV-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208604788 1371838902 /nfs/dbraw/zinc/83/89/02/1371838902.db2.gz VNVFIGYJOAFLRV-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604788 1371838905 /nfs/dbraw/zinc/83/89/05/1371838905.db2.gz VNVFIGYJOAFLRV-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604788 1371838909 /nfs/dbraw/zinc/83/89/09/1371838909.db2.gz VNVFIGYJOAFLRV-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP CCCCOCC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208647548 1371850999 /nfs/dbraw/zinc/85/09/99/1371850999.db2.gz BVEOOEXRIWPBOM-SFHVURJKSA-N 2 2 347.503 3.018 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209013400 1371974886 /nfs/dbraw/zinc/97/48/86/1371974886.db2.gz QIOCJVIRFVPHLF-KZNAEPCWSA-N 2 2 346.471 3.213 20 0 EGADLP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001209013400 1371974888 /nfs/dbraw/zinc/97/48/88/1371974888.db2.gz QIOCJVIRFVPHLF-KZNAEPCWSA-N 2 2 346.471 3.213 20 0 EGADLP CCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001121747814 1372068355 /nfs/dbraw/zinc/06/83/55/1372068355.db2.gz WBKNDOOJWWIANW-ZDHUNYLQSA-N 2 2 344.503 3.037 20 0 EGADLP C[C@H]1CC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382617 1372085136 /nfs/dbraw/zinc/08/51/36/1372085136.db2.gz UIHLLVOFQNSFET-PZBISTMVSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@H]1CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382617 1372085141 /nfs/dbraw/zinc/08/51/41/1372085141.db2.gz UIHLLVOFQNSFET-PZBISTMVSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@H]1CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382617 1372085148 /nfs/dbraw/zinc/08/51/48/1372085148.db2.gz UIHLLVOFQNSFET-PZBISTMVSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@H]1CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382617 1372085151 /nfs/dbraw/zinc/08/51/51/1372085151.db2.gz UIHLLVOFQNSFET-PZBISTMVSA-N 2 2 343.515 3.039 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001121841584 1372098500 /nfs/dbraw/zinc/09/85/00/1372098500.db2.gz IFDJNCKNMMRXKG-UFQJCFOOSA-N 2 2 346.519 3.432 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1O ZINC001209532069 1372129359 /nfs/dbraw/zinc/12/93/59/1372129359.db2.gz OQXOFVNKEFLMQA-HOTGVXAUSA-N 2 2 336.451 3.379 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(F)c1O ZINC001209532069 1372129361 /nfs/dbraw/zinc/12/93/61/1372129361.db2.gz OQXOFVNKEFLMQA-HOTGVXAUSA-N 2 2 336.451 3.379 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(F)c1O ZINC001209532069 1372129363 /nfs/dbraw/zinc/12/93/63/1372129363.db2.gz OQXOFVNKEFLMQA-HOTGVXAUSA-N 2 2 336.451 3.379 20 0 EGADLP COc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(F)c1O ZINC001209532069 1372129368 /nfs/dbraw/zinc/12/93/68/1372129368.db2.gz OQXOFVNKEFLMQA-HOTGVXAUSA-N 2 2 336.451 3.379 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001209866249 1372217835 /nfs/dbraw/zinc/21/78/35/1372217835.db2.gz QCXZKHKLBCSDER-SJORKVTESA-N 2 2 334.508 3.241 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001209866247 1372217909 /nfs/dbraw/zinc/21/79/09/1372217909.db2.gz QCXZKHKLBCSDER-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964752 1373149328 /nfs/dbraw/zinc/14/93/28/1373149328.db2.gz PWFNAYVTACISKN-XWMIQMMGSA-N 2 2 340.471 3.359 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001216988432 1373376169 /nfs/dbraw/zinc/37/61/69/1373376169.db2.gz SVUASQSOTDXXOS-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001129892846 1373432793 /nfs/dbraw/zinc/43/27/93/1373432793.db2.gz BXJPGJZDUALESW-BHUNQDJPSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001129892846 1373432796 /nfs/dbraw/zinc/43/27/96/1373432796.db2.gz BXJPGJZDUALESW-BHUNQDJPSA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001130006901 1373445812 /nfs/dbraw/zinc/44/58/12/1373445812.db2.gz XODRLZLRWUSQTB-CRAIPNDOSA-N 2 2 346.450 3.076 20 0 EGADLP O=C(NCC[NH2+]CC[C@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001130269072 1373482081 /nfs/dbraw/zinc/48/20/81/1373482081.db2.gz XCJHMYHTRMEEJS-MRXNPFEDSA-N 2 2 348.450 3.002 20 0 EGADLP [NH3+][C@@H](CC(=O)Nc1cc[nH+]c2c1CCC2)c1cccc2ccccc21 ZINC001218620680 1373637244 /nfs/dbraw/zinc/63/72/44/1373637244.db2.gz MSIAQWQGLDLGDK-SFHVURJKSA-N 2 2 331.419 3.174 20 0 EGADLP [NH3+][C@H](CC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(C(F)(F)F)cc1 ZINC001218787372 1373654215 /nfs/dbraw/zinc/65/42/15/1373654215.db2.gz CQHCPPVNYQEYCR-CQSZACIVSA-N 2 2 348.328 3.382 20 0 EGADLP COC(=O)c1ccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222389881 1373834021 /nfs/dbraw/zinc/83/40/21/1373834021.db2.gz HXUNBJOCGMJURB-HXUWFJFHSA-N 2 2 341.455 3.063 20 0 EGADLP COC(=O)c1ccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222389881 1373834023 /nfs/dbraw/zinc/83/40/23/1373834023.db2.gz HXUNBJOCGMJURB-HXUWFJFHSA-N 2 2 341.455 3.063 20 0 EGADLP CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226250222 1375226985 /nfs/dbraw/zinc/22/69/85/1375226985.db2.gz AISSHFGNHZGIPZ-ZTFGCOKTSA-N 2 2 342.487 3.319 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC1CCCC1 ZINC001132546725 1375453148 /nfs/dbraw/zinc/45/31/48/1375453148.db2.gz QQLKYFUVBGIFMN-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC1CCCC1 ZINC001132546725 1375453151 /nfs/dbraw/zinc/45/31/51/1375453151.db2.gz QQLKYFUVBGIFMN-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546334 1375453874 /nfs/dbraw/zinc/45/38/74/1375453874.db2.gz KFPYCJXAANJQKE-ZWKOTPCHSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546334 1375453876 /nfs/dbraw/zinc/45/38/76/1375453876.db2.gz KFPYCJXAANJQKE-ZWKOTPCHSA-N 2 2 334.508 3.069 20 0 EGADLP C[NH+](C)Cc1cc(OC2C[NH+](C(C)(C)C)C2)ccc1Br ZINC001228550398 1375594680 /nfs/dbraw/zinc/59/46/80/1375594680.db2.gz WGJRDJSSTASAHD-UHFFFAOYSA-N 2 2 341.293 3.372 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001229558647 1375853800 /nfs/dbraw/zinc/85/38/00/1375853800.db2.gz AWXREILVDSRESL-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001229558647 1375853803 /nfs/dbraw/zinc/85/38/03/1375853803.db2.gz AWXREILVDSRESL-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133240842 1375862097 /nfs/dbraw/zinc/86/20/97/1375862097.db2.gz AXCKBIPHPZUIMB-IRXDYDNUSA-N 2 2 348.535 3.342 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610798 1376101329 /nfs/dbraw/zinc/10/13/29/1376101329.db2.gz HOAMDIWZZZIGRW-WHLIDYPQSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610798 1376101332 /nfs/dbraw/zinc/10/13/32/1376101332.db2.gz HOAMDIWZZZIGRW-WHLIDYPQSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232014537 1376383672 /nfs/dbraw/zinc/38/36/72/1376383672.db2.gz KIRHHJQZQKRWET-UHFFFAOYSA-N 2 2 347.466 3.499 20 0 EGADLP Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232014537 1376383679 /nfs/dbraw/zinc/38/36/79/1376383679.db2.gz KIRHHJQZQKRWET-UHFFFAOYSA-N 2 2 347.466 3.499 20 0 EGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cncc(O)c3)C[C@@H]21 ZINC001232043273 1376388969 /nfs/dbraw/zinc/38/89/69/1376388969.db2.gz QXNFBXJXEFEWQY-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cncc(O)c3)C[C@@H]21 ZINC001232043273 1376388986 /nfs/dbraw/zinc/38/89/86/1376388986.db2.gz QXNFBXJXEFEWQY-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cncc(O)c3)C[C@@H]21 ZINC001232043273 1376388996 /nfs/dbraw/zinc/38/89/96/1376388996.db2.gz QXNFBXJXEFEWQY-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cncc(O)c3)C[C@@H]21 ZINC001232043273 1376389002 /nfs/dbraw/zinc/38/90/02/1376389002.db2.gz QXNFBXJXEFEWQY-ACRUOGEOSA-N 2 2 337.467 3.398 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227781 1376423965 /nfs/dbraw/zinc/42/39/65/1376423965.db2.gz KEIGLKFQFYVEIK-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402496 1376511968 /nfs/dbraw/zinc/51/19/68/1376511968.db2.gz FBBZXIIJMAYKLG-IRXDYDNUSA-N 2 2 348.535 3.215 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001233364070 1376629309 /nfs/dbraw/zinc/62/93/09/1376629309.db2.gz OQYTVHGCJRSSGG-ICSRJNTNSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001233364070 1376629313 /nfs/dbraw/zinc/62/93/13/1376629313.db2.gz OQYTVHGCJRSSGG-ICSRJNTNSA-N 2 2 332.451 3.041 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC2CCCC2)c[nH+]1 ZINC001134730206 1376682151 /nfs/dbraw/zinc/68/21/51/1376682151.db2.gz UJBLXOKGPYKLJI-JKSUJKDBSA-N 2 2 348.535 3.380 20 0 EGADLP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134745767 1376694382 /nfs/dbraw/zinc/69/43/82/1376694382.db2.gz ZUTUOBFYUCZNPI-ZMJQMOPZSA-N 2 2 347.503 3.252 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001234017172 1376754123 /nfs/dbraw/zinc/75/41/23/1376754123.db2.gz UWAWTPNTWFTLPB-UHFFFAOYSA-N 2 2 325.456 3.391 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313480 1376803397 /nfs/dbraw/zinc/80/33/97/1376803397.db2.gz DKPKHPSLJNOHCW-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313480 1376803412 /nfs/dbraw/zinc/80/34/12/1376803412.db2.gz DKPKHPSLJNOHCW-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134971404 1376819716 /nfs/dbraw/zinc/81/97/16/1376819716.db2.gz XLNNFYDSIMUNOD-HUUCEWRRSA-N 2 2 330.476 3.257 20 0 EGADLP Clc1cc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc(Cl)c1Cl ZINC001235041507 1376838817 /nfs/dbraw/zinc/83/88/17/1376838817.db2.gz QUGBPFWYXWUFNV-BXUZGUMPSA-N 2 2 349.689 3.457 20 0 EGADLP Clc1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc(Cl)c1Cl ZINC001235041507 1376838822 /nfs/dbraw/zinc/83/88/22/1376838822.db2.gz QUGBPFWYXWUFNV-BXUZGUMPSA-N 2 2 349.689 3.457 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097810 1376895962 /nfs/dbraw/zinc/89/59/62/1376895962.db2.gz QQRJTTMCKOOQHM-DLBZAZTESA-N 2 2 340.471 3.325 20 0 EGADLP COCOc1ccc(F)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236075935 1376931190 /nfs/dbraw/zinc/93/11/90/1376931190.db2.gz HDNGYPKCJIJXDX-QGZVFWFLSA-N 2 2 330.403 3.008 20 0 EGADLP COCOc1ccc(F)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236075935 1376931201 /nfs/dbraw/zinc/93/12/01/1376931201.db2.gz HDNGYPKCJIJXDX-QGZVFWFLSA-N 2 2 330.403 3.008 20 0 EGADLP Cc1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(F)c1Br ZINC001236228635 1376943424 /nfs/dbraw/zinc/94/34/24/1376943424.db2.gz XFLCKMQSBRUNFR-UHFFFAOYSA-N 2 2 329.257 3.471 20 0 EGADLP Cc1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(F)c1Br ZINC001236228635 1376943425 /nfs/dbraw/zinc/94/34/25/1376943425.db2.gz XFLCKMQSBRUNFR-UHFFFAOYSA-N 2 2 329.257 3.471 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2C[NH2+][C@H](C)C2)CC3)cc1 ZINC001246716315 1377053610 /nfs/dbraw/zinc/05/36/10/1377053610.db2.gz UNOFRFYRPZVBGX-CTNGQTDRSA-N 3 2 341.543 3.423 20 0 EGADLP CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001250746006 1377083409 /nfs/dbraw/zinc/08/34/09/1377083409.db2.gz MJGGLQNMOLMXFJ-FQEVSTJZSA-N 2 2 346.515 3.110 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553712 1377142340 /nfs/dbraw/zinc/14/23/40/1377142340.db2.gz VWBROCOAMAALKS-HOTGVXAUSA-N 2 2 342.487 3.149 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001135578458 1377153747 /nfs/dbraw/zinc/15/37/47/1377153747.db2.gz BJVOFKYSWJZIDL-CVEARBPZSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840909 1377229006 /nfs/dbraw/zinc/22/90/06/1377229006.db2.gz RHJJYBIDOLPQLN-HOTGVXAUSA-N 2 2 340.471 3.159 20 0 EGADLP CCc1ccc([C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[NH+](C)C)cc1 ZINC001135926536 1377264706 /nfs/dbraw/zinc/26/47/06/1377264706.db2.gz LMRAIXNIOIMUGD-IBGZPJMESA-N 2 2 336.439 3.158 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001136031651 1377305933 /nfs/dbraw/zinc/30/59/33/1377305933.db2.gz OCWURKABQXECMX-GJZGRUSLSA-N 2 2 334.508 3.104 20 0 EGADLP Cc1ccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c[nH]c2c1 ZINC001136970219 1377447048 /nfs/dbraw/zinc/44/70/48/1377447048.db2.gz KFHXDZCVYLZWNV-WOJBJXKFSA-N 2 2 346.478 3.435 20 0 EGADLP COc1ncc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1C ZINC001137001688 1377454775 /nfs/dbraw/zinc/45/47/75/1377454775.db2.gz VBONPFAFUTYNIX-IRXDYDNUSA-N 2 2 343.496 3.024 20 0 EGADLP c1nc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001137046887 1377466061 /nfs/dbraw/zinc/46/60/61/1377466061.db2.gz QKZPHHJHXBWFPJ-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC001137046887 1377466062 /nfs/dbraw/zinc/46/60/62/1377466062.db2.gz QKZPHHJHXBWFPJ-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127772 1377483032 /nfs/dbraw/zinc/48/30/32/1377483032.db2.gz MOYITSZMIHFNSL-FHLIZLRMSA-N 2 2 330.501 3.204 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127772 1377483033 /nfs/dbraw/zinc/48/30/33/1377483033.db2.gz MOYITSZMIHFNSL-FHLIZLRMSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127772 1377483035 /nfs/dbraw/zinc/48/30/35/1377483035.db2.gz MOYITSZMIHFNSL-FHLIZLRMSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127772 1377483036 /nfs/dbraw/zinc/48/30/36/1377483036.db2.gz MOYITSZMIHFNSL-FHLIZLRMSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(-n3ccnn3)cc2)C2CCCC2)CC1 ZINC001137370380 1377533579 /nfs/dbraw/zinc/53/35/79/1377533579.db2.gz BHYBKHGTSQRBFZ-UHFFFAOYSA-N 2 2 339.487 3.106 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(-n3ccnn3)cc2)C2CCCC2)CC1 ZINC001137370380 1377533580 /nfs/dbraw/zinc/53/35/80/1377533580.db2.gz BHYBKHGTSQRBFZ-UHFFFAOYSA-N 2 2 339.487 3.106 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535354 1377562377 /nfs/dbraw/zinc/56/23/77/1377562377.db2.gz JEVSSFAXINLCKJ-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535354 1377562383 /nfs/dbraw/zinc/56/23/83/1377562383.db2.gz JEVSSFAXINLCKJ-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535354 1377562388 /nfs/dbraw/zinc/56/23/88/1377562388.db2.gz JEVSSFAXINLCKJ-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC001137535354 1377562396 /nfs/dbraw/zinc/56/23/96/1377562396.db2.gz JEVSSFAXINLCKJ-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP Cn1c2ccccc2nc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001138380543 1377712319 /nfs/dbraw/zinc/71/23/19/1377712319.db2.gz LNEVMQWFNYZGPA-IRXDYDNUSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1c2ccccc2nc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001138380543 1377712320 /nfs/dbraw/zinc/71/23/20/1377712320.db2.gz LNEVMQWFNYZGPA-IRXDYDNUSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1c2ccccc2nc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001138380543 1377712321 /nfs/dbraw/zinc/71/23/21/1377712321.db2.gz LNEVMQWFNYZGPA-IRXDYDNUSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1c2ccccc2nc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001138380543 1377712322 /nfs/dbraw/zinc/71/23/22/1377712322.db2.gz LNEVMQWFNYZGPA-IRXDYDNUSA-N 2 2 326.488 3.412 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3ncccc3C)CC2)cc1 ZINC001138543895 1377740013 /nfs/dbraw/zinc/74/00/13/1377740013.db2.gz ZBBODERLJCAXQC-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138555875 1377741667 /nfs/dbraw/zinc/74/16/67/1377741667.db2.gz VRJFJSXRUCXYJG-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)F)c(OC)c1 ZINC001138555875 1377741668 /nfs/dbraw/zinc/74/16/68/1377741668.db2.gz VRJFJSXRUCXYJG-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccn3-c3ccccc3F)C[C@@H]2C1 ZINC001138635300 1377758487 /nfs/dbraw/zinc/75/84/87/1377758487.db2.gz DGYIBCCLMNDYGQ-IRXDYDNUSA-N 2 2 327.447 3.390 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH+]2CC(OCc3ccccc3)C2)cc1 ZINC001138772584 1377782364 /nfs/dbraw/zinc/78/23/64/1377782364.db2.gz RLCUXEQTOJVTGF-UHFFFAOYSA-N 2 2 340.467 3.028 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccc2o1 ZINC001138823705 1377792870 /nfs/dbraw/zinc/79/28/70/1377792870.db2.gz KTXMNLNBMWMJPW-BGYRXZFFSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccc2o1 ZINC001138823705 1377792871 /nfs/dbraw/zinc/79/28/71/1377792871.db2.gz KTXMNLNBMWMJPW-BGYRXZFFSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2o1 ZINC001138823705 1377792872 /nfs/dbraw/zinc/79/28/72/1377792872.db2.gz KTXMNLNBMWMJPW-BGYRXZFFSA-N 2 2 333.435 3.392 20 0 EGADLP c1cc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc2o1 ZINC001138823705 1377792873 /nfs/dbraw/zinc/79/28/73/1377792873.db2.gz KTXMNLNBMWMJPW-BGYRXZFFSA-N 2 2 333.435 3.392 20 0 EGADLP Cc1cccc2[nH]cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c21 ZINC001139196110 1377849441 /nfs/dbraw/zinc/84/94/41/1377849441.db2.gz ZSUDWUXXWKBHNY-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2[nH]cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c21 ZINC001139196110 1377849443 /nfs/dbraw/zinc/84/94/43/1377849443.db2.gz ZSUDWUXXWKBHNY-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c21 ZINC001139196110 1377849450 /nfs/dbraw/zinc/84/94/50/1377849450.db2.gz ZSUDWUXXWKBHNY-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c21 ZINC001139196110 1377849454 /nfs/dbraw/zinc/84/94/54/1377849454.db2.gz ZSUDWUXXWKBHNY-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP C[N@H+](C/C=C/c1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139323423 1377867731 /nfs/dbraw/zinc/86/77/31/1377867731.db2.gz JNRYSUVMQQWGPK-RMKNXTFCSA-N 2 2 342.512 3.040 20 0 EGADLP C[N@@H+](C/C=C/c1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139323423 1377867734 /nfs/dbraw/zinc/86/77/34/1377867734.db2.gz JNRYSUVMQQWGPK-RMKNXTFCSA-N 2 2 342.512 3.040 20 0 EGADLP COC(=O)c1ccc(C2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC001139360673 1377874146 /nfs/dbraw/zinc/87/41/46/1377874146.db2.gz CGYQMAUGDFLIIH-UHFFFAOYSA-N 2 2 347.418 3.258 20 0 EGADLP COC(=O)c1cccc2[nH]cc(C[N@H+](C(C)C)C3CC[NH+](C)CC3)c21 ZINC001139723946 1377941292 /nfs/dbraw/zinc/94/12/92/1377941292.db2.gz SUIYMPKVGFLNEB-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP COC(=O)c1cccc2[nH]cc(C[N@@H+](C(C)C)C3CC[NH+](C)CC3)c21 ZINC001139723946 1377941293 /nfs/dbraw/zinc/94/12/93/1377941293.db2.gz SUIYMPKVGFLNEB-UHFFFAOYSA-N 2 2 343.471 3.259 20 0 EGADLP c1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139759038 1377947735 /nfs/dbraw/zinc/94/77/35/1377947735.db2.gz AHZKKLLRBPPTGG-PMACEKPBSA-N 2 2 344.499 3.020 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763479 1377948009 /nfs/dbraw/zinc/94/80/09/1377948009.db2.gz OTYASGNKSQVOOW-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP CC[C@H]1CCCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763479 1377948012 /nfs/dbraw/zinc/94/80/12/1377948012.db2.gz OTYASGNKSQVOOW-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP CCC[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H](C)CC ZINC001139760548 1377948081 /nfs/dbraw/zinc/94/80/81/1377948081.db2.gz RNJGUPXHCFIJNX-SFHVURJKSA-N 2 2 334.504 3.408 20 0 EGADLP CCC[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H](C)CC ZINC001139760548 1377948083 /nfs/dbraw/zinc/94/80/83/1377948083.db2.gz RNJGUPXHCFIJNX-SFHVURJKSA-N 2 2 334.504 3.408 20 0 EGADLP Cn1c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc2ccccc21 ZINC001139870990 1377967891 /nfs/dbraw/zinc/96/78/91/1377967891.db2.gz PBRWFGAWFQRVRM-OALUTQOASA-N 2 2 346.478 3.137 20 0 EGADLP CCOC(=O)CC1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140020766 1377991204 /nfs/dbraw/zinc/99/12/04/1377991204.db2.gz CMQSXQUVZCRZST-UHFFFAOYSA-N 2 2 341.455 3.346 20 0 EGADLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)s1 ZINC001276162040 1378168888 /nfs/dbraw/zinc/16/88/88/1378168888.db2.gz DMJCIBXMHTUUBA-AGUYFDCRSA-N 2 2 327.925 3.048 20 0 EGADLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)s1 ZINC001276162040 1378168890 /nfs/dbraw/zinc/16/88/90/1378168890.db2.gz DMJCIBXMHTUUBA-AGUYFDCRSA-N 2 2 327.925 3.048 20 0 EGADLP Cc1nccnc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001140938184 1378186086 /nfs/dbraw/zinc/18/60/86/1378186086.db2.gz AYFZEVNRUFWSRH-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1nccnc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001140938184 1378186087 /nfs/dbraw/zinc/18/60/87/1378186087.db2.gz AYFZEVNRUFWSRH-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1nccnc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140938184 1378186088 /nfs/dbraw/zinc/18/60/88/1378186088.db2.gz AYFZEVNRUFWSRH-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Cc1nccnc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140938184 1378186089 /nfs/dbraw/zinc/18/60/89/1378186089.db2.gz AYFZEVNRUFWSRH-UYWIDEMCSA-N 2 2 338.499 3.180 20 0 EGADLP Oc1cccc2ccc(C[N@@H+]3CCC[C@@H](Oc4cc[nH+]cc4)C3)nc12 ZINC001141026032 1378212055 /nfs/dbraw/zinc/21/20/55/1378212055.db2.gz ZYFGPOBLNXPLNJ-GOSISDBHSA-N 2 2 335.407 3.379 20 0 EGADLP Oc1cccc2ccc(C[N@H+]3CCC[C@@H](Oc4cc[nH+]cc4)C3)nc12 ZINC001141026032 1378212057 /nfs/dbraw/zinc/21/20/57/1378212057.db2.gz ZYFGPOBLNXPLNJ-GOSISDBHSA-N 2 2 335.407 3.379 20 0 EGADLP CN(C)c1cc[nH+]cc1NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142365476 1378436302 /nfs/dbraw/zinc/43/63/02/1378436302.db2.gz JSRKTAIBDZNDNN-BQYQJAHWSA-N 2 2 347.422 3.044 20 0 EGADLP Cc1cc(F)cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001143584884 1378621198 /nfs/dbraw/zinc/62/11/98/1378621198.db2.gz BIOBOWUBEXLYMT-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001143584884 1378621201 /nfs/dbraw/zinc/62/12/01/1378621201.db2.gz BIOBOWUBEXLYMT-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143584884 1378621205 /nfs/dbraw/zinc/62/12/05/1378621205.db2.gz BIOBOWUBEXLYMT-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001143584884 1378621207 /nfs/dbraw/zinc/62/12/07/1378621207.db2.gz BIOBOWUBEXLYMT-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)c(OC)c2)CC1 ZINC001144231935 1378703181 /nfs/dbraw/zinc/70/31/81/1378703181.db2.gz AWZIXTZYWFHFAC-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)c(OC)c2)CC1 ZINC001144231935 1378703190 /nfs/dbraw/zinc/70/31/90/1378703190.db2.gz AWZIXTZYWFHFAC-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Cc1ccc(C[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1C ZINC001146458548 1378843656 /nfs/dbraw/zinc/84/36/56/1378843656.db2.gz LLVMTCCZOGSTEA-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766796 1379075746 /nfs/dbraw/zinc/07/57/46/1379075746.db2.gz HPXWSFBBQNJCED-ROUUACIJSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001147766796 1379075749 /nfs/dbraw/zinc/07/57/49/1379075749.db2.gz HPXWSFBBQNJCED-ROUUACIJSA-N 2 2 346.519 3.051 20 0 EGADLP CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001147779810 1379077358 /nfs/dbraw/zinc/07/73/58/1379077358.db2.gz CUIOINFYCSVRMY-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP CCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001147779810 1379077365 /nfs/dbraw/zinc/07/73/65/1379077365.db2.gz CUIOINFYCSVRMY-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362241 1380064954 /nfs/dbraw/zinc/06/49/54/1380064954.db2.gz MBDJRTSFZWKNFW-KXPUMZMLSA-N 2 2 342.487 3.439 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362241 1380064957 /nfs/dbraw/zinc/06/49/57/1380064957.db2.gz MBDJRTSFZWKNFW-KXPUMZMLSA-N 2 2 342.487 3.439 20 0 EGADLP Cc1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc(C(C)(C)C)[nH+]1 ZINC001155381360 1380443674 /nfs/dbraw/zinc/44/36/74/1380443674.db2.gz BCZMDPFFNWJDJA-HNNXBMFYSA-N 2 2 332.492 3.043 20 0 EGADLP CC[C@@H](F)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149453 1380531179 /nfs/dbraw/zinc/53/11/79/1380531179.db2.gz KFIPRUIVBGRNNV-NVXWUHKLSA-N 2 2 346.450 3.061 20 0 EGADLP CC[C@@H](F)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149453 1380531180 /nfs/dbraw/zinc/53/11/80/1380531180.db2.gz KFIPRUIVBGRNNV-NVXWUHKLSA-N 2 2 346.450 3.061 20 0 EGADLP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149791 1380531593 /nfs/dbraw/zinc/53/15/93/1380531593.db2.gz YDUDKUDUQXKQBI-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149791 1380531594 /nfs/dbraw/zinc/53/15/94/1380531594.db2.gz YDUDKUDUQXKQBI-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC001156377591 1380567940 /nfs/dbraw/zinc/56/79/40/1380567940.db2.gz BOCSVABUIOPDMZ-CQSZACIVSA-N 2 2 327.428 3.165 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC001156377591 1380567941 /nfs/dbraw/zinc/56/79/41/1380567941.db2.gz BOCSVABUIOPDMZ-CQSZACIVSA-N 2 2 327.428 3.165 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153123 1380788037 /nfs/dbraw/zinc/78/80/37/1380788037.db2.gz FABUISQELXEMHQ-MJGOQNOKSA-N 2 2 348.535 3.091 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153123 1380788040 /nfs/dbraw/zinc/78/80/40/1380788040.db2.gz FABUISQELXEMHQ-MJGOQNOKSA-N 2 2 348.535 3.091 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248653 1380823809 /nfs/dbraw/zinc/82/38/09/1380823809.db2.gz VNIJPASMFQFXMG-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248653 1380823812 /nfs/dbraw/zinc/82/38/12/1380823812.db2.gz VNIJPASMFQFXMG-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293239 1380834555 /nfs/dbraw/zinc/83/45/55/1380834555.db2.gz DIJVMYLKGHXTTG-QGZVFWFLSA-N 2 2 342.487 3.033 20 0 EGADLP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293239 1380834559 /nfs/dbraw/zinc/83/45/59/1380834559.db2.gz DIJVMYLKGHXTTG-QGZVFWFLSA-N 2 2 342.487 3.033 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001158107080 1381130379 /nfs/dbraw/zinc/13/03/79/1381130379.db2.gz ASVKMPACDNLOCD-MSOLQXFVSA-N 2 2 334.508 3.193 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001158107080 1381130381 /nfs/dbraw/zinc/13/03/81/1381130381.db2.gz ASVKMPACDNLOCD-MSOLQXFVSA-N 2 2 334.508 3.193 20 0 EGADLP CCOC(=O)Cc1ccc[nH+]c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001158265734 1381178199 /nfs/dbraw/zinc/17/81/99/1381178199.db2.gz IQUBINCNRPFEPH-KXBFYZLASA-N 2 2 333.476 3.143 20 0 EGADLP Cc1ccc2c(C)cc(N3CCO[C@@H](C[NH+]4CCCC4)C3)[nH+]c2c1C ZINC001158305755 1381194109 /nfs/dbraw/zinc/19/41/09/1381194109.db2.gz JJBIAGLMCDFNGI-SFHVURJKSA-N 2 2 339.483 3.461 20 0 EGADLP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534479 1381285265 /nfs/dbraw/zinc/28/52/65/1381285265.db2.gz WQAREGRFQPEEDY-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534479 1381285271 /nfs/dbraw/zinc/28/52/71/1381285271.db2.gz WQAREGRFQPEEDY-LJQANCHMSA-N 2 2 344.503 3.156 20 0 EGADLP CCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533983 1381285724 /nfs/dbraw/zinc/28/57/24/1381285724.db2.gz PKNVNORLEJSVJP-ZWKOTPCHSA-N 2 2 334.508 3.337 20 0 EGADLP CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001158533983 1381285728 /nfs/dbraw/zinc/28/57/28/1381285728.db2.gz PKNVNORLEJSVJP-ZWKOTPCHSA-N 2 2 334.508 3.337 20 0 EGADLP C[N@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949920 1381481762 /nfs/dbraw/zinc/48/17/62/1381481762.db2.gz WFKYVGSSXOGKRH-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCC1)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949920 1381481769 /nfs/dbraw/zinc/48/17/69/1381481769.db2.gz WFKYVGSSXOGKRH-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1c[nH+]c(N2CCC3(CC2)[NH2+]CCc2ccccc23)nc1NC1CC1 ZINC001159010720 1381510436 /nfs/dbraw/zinc/51/04/36/1381510436.db2.gz YPOKHONWCQATCB-UHFFFAOYSA-N 2 2 349.482 3.001 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC001328356740 1388729173 /nfs/dbraw/zinc/72/91/73/1388729173.db2.gz YTIVTIQDOXYLLR-UHFFFAOYSA-N 2 2 349.369 3.377 20 0 EGADLP [NH3+]CCOc1cccc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001159170244 1381706728 /nfs/dbraw/zinc/70/67/28/1381706728.db2.gz GXWXFYBFGCWLCK-UHFFFAOYSA-N 2 2 347.216 3.178 20 0 EGADLP Brc1cc(Nc2ccc3c(c2)C[NH2+]C3)c2[nH+]ccn2c1 ZINC001159171147 1381712781 /nfs/dbraw/zinc/71/27/81/1381712781.db2.gz VVEGSDRQIGSRMH-UHFFFAOYSA-N 2 2 329.201 3.444 20 0 EGADLP COc1c(C)cc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)cc1C ZINC001159334133 1381768126 /nfs/dbraw/zinc/76/81/26/1381768126.db2.gz RMVUHZUKWQXPEL-UHFFFAOYSA-N 2 2 340.471 3.427 20 0 EGADLP C[NH+](C)[C@H](CNc1cc[nH+]c(N)n1)c1ccc(Cl)cc1Cl ZINC001159516720 1381814955 /nfs/dbraw/zinc/81/49/55/1381814955.db2.gz XNMBMEDADNFZNN-GFCCVEGCSA-N 2 2 326.231 3.080 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001160327388 1382074457 /nfs/dbraw/zinc/07/44/57/1382074457.db2.gz WXSJRZPABMRQKA-DAXOMENPSA-N 2 2 346.862 3.024 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001160327388 1382074461 /nfs/dbraw/zinc/07/44/61/1382074461.db2.gz WXSJRZPABMRQKA-DAXOMENPSA-N 2 2 346.862 3.024 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001160330644 1382075137 /nfs/dbraw/zinc/07/51/37/1382075137.db2.gz FKFBMOZADBXFMJ-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001160330644 1382075141 /nfs/dbraw/zinc/07/51/41/1382075141.db2.gz FKFBMOZADBXFMJ-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001160330644 1382075144 /nfs/dbraw/zinc/07/51/44/1382075144.db2.gz FKFBMOZADBXFMJ-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001160330644 1382075150 /nfs/dbraw/zinc/07/51/50/1382075150.db2.gz FKFBMOZADBXFMJ-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001160533634 1382133566 /nfs/dbraw/zinc/13/35/66/1382133566.db2.gz AKHQQBDZAXOBOT-QGZVFWFLSA-N 2 2 334.508 3.002 20 0 EGADLP O=C(NCCC[NH2+]Cc1ccc(Cl)s1)c1cc2c[nH+]ccc2[nH]1 ZINC001160984184 1382261983 /nfs/dbraw/zinc/26/19/83/1382261983.db2.gz GXYHOAZTQHPFRR-UHFFFAOYSA-N 2 2 348.859 3.188 20 0 EGADLP O=C(NCCC[NH2+]Cc1cccc(Cl)c1)c1cc2c[nH+]ccc2[nH]1 ZINC001160990338 1382263290 /nfs/dbraw/zinc/26/32/90/1382263290.db2.gz IYSSZYVBTJVTBG-UHFFFAOYSA-N 2 2 342.830 3.126 20 0 EGADLP c1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc(N2CCCCC2)[nH+]1 ZINC001161186700 1382332335 /nfs/dbraw/zinc/33/23/35/1382332335.db2.gz DSVUMUGIVKTVGV-KRWDZBQOSA-N 2 2 329.492 3.143 20 0 EGADLP c1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc(N2CCCCC2)[nH+]1 ZINC001161186700 1382332341 /nfs/dbraw/zinc/33/23/41/1382332341.db2.gz DSVUMUGIVKTVGV-KRWDZBQOSA-N 2 2 329.492 3.143 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161433889 1382408772 /nfs/dbraw/zinc/40/87/72/1382408772.db2.gz KLAMOBSBISLZPP-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161433889 1382408775 /nfs/dbraw/zinc/40/87/75/1382408775.db2.gz KLAMOBSBISLZPP-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161433889 1382408777 /nfs/dbraw/zinc/40/87/77/1382408777.db2.gz KLAMOBSBISLZPP-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161433889 1382408780 /nfs/dbraw/zinc/40/87/80/1382408780.db2.gz KLAMOBSBISLZPP-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP COc1ccc(C)[nH+]c1N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001161987069 1382589866 /nfs/dbraw/zinc/58/98/66/1382589866.db2.gz JUURWNGSGBKWCZ-UHFFFAOYSA-N 2 2 329.419 3.078 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001162457148 1382762086 /nfs/dbraw/zinc/76/20/86/1382762086.db2.gz MYRUGSDKLXKUTR-WDEREUQCSA-N 2 2 337.265 3.373 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001162457148 1382762088 /nfs/dbraw/zinc/76/20/88/1382762088.db2.gz MYRUGSDKLXKUTR-WDEREUQCSA-N 2 2 337.265 3.373 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1c(Br)c[nH+]c2ccccc21 ZINC001162467697 1382766193 /nfs/dbraw/zinc/76/61/93/1382766193.db2.gz RTPMJBSDPNHUFX-STQMWFEESA-N 2 2 348.288 3.467 20 0 EGADLP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001163897451 1383133759 /nfs/dbraw/zinc/13/37/59/1383133759.db2.gz NHTSWDAICOSAHF-UHFFFAOYSA-N 2 2 337.814 3.382 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC3(C[NH2+]CCC(C)C)CC3)ccn12 ZINC001164541245 1383197566 /nfs/dbraw/zinc/19/75/66/1383197566.db2.gz XZXVTJXKJPEWNV-UHFFFAOYSA-N 2 2 342.487 3.179 20 0 EGADLP CSc1cc[nH+]c(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001165270449 1383263396 /nfs/dbraw/zinc/26/33/96/1383263396.db2.gz NEPSNRDLSKCSBY-ZDUSSCGKSA-N 2 2 331.407 3.314 20 0 EGADLP CSc1cc[nH+]c(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001165270446 1383263414 /nfs/dbraw/zinc/26/34/14/1383263414.db2.gz NEPSNRDLSKCSBY-CYBMUJFWSA-N 2 2 331.407 3.314 20 0 EGADLP CCCN(CCC)c1cc(N2CCCCC23CC[NH2+]CC3)nc[nH+]1 ZINC001165339000 1383277208 /nfs/dbraw/zinc/27/72/08/1383277208.db2.gz NLBKKKPRMSMHRL-UHFFFAOYSA-N 2 2 331.508 3.216 20 0 EGADLP CCCN(CCC)c1cc(N2CCCCC23CC[NH2+]CC3)[nH+]cn1 ZINC001165339000 1383277209 /nfs/dbraw/zinc/27/72/09/1383277209.db2.gz NLBKKKPRMSMHRL-UHFFFAOYSA-N 2 2 331.508 3.216 20 0 EGADLP CC(C)C[NH2+]CC1(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636667 1383318354 /nfs/dbraw/zinc/31/83/54/1383318354.db2.gz FQUKNNCRLLJVQU-QGZVFWFLSA-N 2 2 334.508 3.002 20 0 EGADLP CC(C)C[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165636665 1383318437 /nfs/dbraw/zinc/31/84/37/1383318437.db2.gz FQUKNNCRLLJVQU-KRWDZBQOSA-N 2 2 334.508 3.002 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CC2(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001167331303 1383600239 /nfs/dbraw/zinc/60/02/39/1383600239.db2.gz DLGJQKSZJNGSBC-IAGOWNOFSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@@H](CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001167348646 1383606596 /nfs/dbraw/zinc/60/65/96/1383606596.db2.gz OVSHOJTXVQHGJH-KRWDZBQOSA-N 2 2 346.519 3.291 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)c(Cl)c1 ZINC001167428046 1383631723 /nfs/dbraw/zinc/63/17/23/1383631723.db2.gz GDIADNJNWZDQSC-OAHLLOKOSA-N 2 2 348.878 3.092 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncccc2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017619 1383797963 /nfs/dbraw/zinc/79/79/63/1383797963.db2.gz BIPJGZNZTSQNMI-ALXJQNPVSA-N 2 2 325.456 3.318 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC001168021980 1383798613 /nfs/dbraw/zinc/79/86/13/1383798613.db2.gz RUOOMZOJOBIAJK-HGKCTWBKSA-N 2 2 340.471 3.016 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC001168021980 1383798615 /nfs/dbraw/zinc/79/86/15/1383798615.db2.gz RUOOMZOJOBIAJK-HGKCTWBKSA-N 2 2 340.471 3.016 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH+]1CCC([NH3+])(c3ccccc3F)CC1)C2 ZINC001168252231 1383853333 /nfs/dbraw/zinc/85/33/33/1383853333.db2.gz OPUDDJQPVSNBDK-QGZVFWFLSA-N 2 2 340.442 3.252 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+]CC[NH+]3CCC(C)CC3)CCO2)cc1 ZINC001168573887 1383939193 /nfs/dbraw/zinc/93/91/93/1383939193.db2.gz ACUSCOJBJUNUSZ-AZUAARDMSA-N 2 2 332.488 3.237 20 0 EGADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901930 1384051564 /nfs/dbraw/zinc/05/15/64/1384051564.db2.gz DEMIHBPIKCPNPQ-SFTDATJTSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901930 1384051567 /nfs/dbraw/zinc/05/15/67/1384051567.db2.gz DEMIHBPIKCPNPQ-SFTDATJTSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901930 1384051569 /nfs/dbraw/zinc/05/15/69/1384051569.db2.gz DEMIHBPIKCPNPQ-SFTDATJTSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168901930 1384051573 /nfs/dbraw/zinc/05/15/73/1384051573.db2.gz DEMIHBPIKCPNPQ-SFTDATJTSA-N 2 2 348.531 3.276 20 0 EGADLP [NH3+]CCc1cnn(-c2ccc3[nH+]c(-c4ccc(Cl)cc4)cn3c2)c1 ZINC001168948851 1384069013 /nfs/dbraw/zinc/06/90/13/1384069013.db2.gz CQRVPNLQAZIJNU-UHFFFAOYSA-N 2 2 337.814 3.342 20 0 EGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001169068866 1384102984 /nfs/dbraw/zinc/10/29/84/1384102984.db2.gz XNXBMELOEIERBM-PMACEKPBSA-N 2 2 330.516 3.487 20 0 EGADLP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001169068866 1384102985 /nfs/dbraw/zinc/10/29/85/1384102985.db2.gz XNXBMELOEIERBM-PMACEKPBSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091181 1384105204 /nfs/dbraw/zinc/10/52/04/1384105204.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091181 1384105206 /nfs/dbraw/zinc/10/52/06/1384105206.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091181 1384105207 /nfs/dbraw/zinc/10/52/07/1384105207.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091181 1384105211 /nfs/dbraw/zinc/10/52/11/1384105211.db2.gz OXUBBIYHNBLJFJ-PPQDBTBKSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC001169091178 1384105363 /nfs/dbraw/zinc/10/53/63/1384105363.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC001169091178 1384105365 /nfs/dbraw/zinc/10/53/65/1384105365.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091178 1384105366 /nfs/dbraw/zinc/10/53/66/1384105366.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC001169091178 1384105368 /nfs/dbraw/zinc/10/53/68/1384105368.db2.gz OXUBBIYHNBLJFJ-KPACCLEDSA-N 3 2 327.516 3.254 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC001308197390 1384108159 /nfs/dbraw/zinc/10/81/59/1384108159.db2.gz PWYROVYCFVUGFQ-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cs1 ZINC001308197390 1384108161 /nfs/dbraw/zinc/10/81/61/1384108161.db2.gz PWYROVYCFVUGFQ-GASCZTMLSA-N 2 2 345.512 3.351 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118555 1384109610 /nfs/dbraw/zinc/10/96/10/1384109610.db2.gz KBMKAUWCTWVNLI-ACDBMABISA-N 3 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118555 1384109612 /nfs/dbraw/zinc/10/96/12/1384109612.db2.gz KBMKAUWCTWVNLI-ACDBMABISA-N 3 2 327.516 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114397 /nfs/dbraw/zinc/11/43/97/1384114397.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 3 2 339.527 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114401 /nfs/dbraw/zinc/11/44/01/1384114401.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114404 /nfs/dbraw/zinc/11/44/04/1384114404.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145567 1384114407 /nfs/dbraw/zinc/11/44/07/1384114407.db2.gz MZOHVQKTWCNSRD-LRSLUSHPSA-N 3 2 339.527 3.210 20 0 EGADLP Cn1ccc(C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)c1 ZINC001308303959 1384117872 /nfs/dbraw/zinc/11/78/72/1384117872.db2.gz UNICSNOQMAEFPF-UHFFFAOYSA-N 2 2 344.846 3.244 20 0 EGADLP C/C(=C\C=C\[NH3+])n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169608749 1384164261 /nfs/dbraw/zinc/16/42/61/1384164261.db2.gz NKMZLQMOKVVNBI-ZPBVKXTCSA-N 2 2 325.334 3.374 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC001170117540 1384238628 /nfs/dbraw/zinc/23/86/28/1384238628.db2.gz LQRFYRUVCAQHGK-DNVCBOLYSA-N 2 2 330.472 3.216 20 0 EGADLP CC[C@@H]1C[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215383 1384267297 /nfs/dbraw/zinc/26/72/97/1384267297.db2.gz BJNZANIITVTTSD-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215383 1384267302 /nfs/dbraw/zinc/26/73/02/1384267302.db2.gz BJNZANIITVTTSD-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215383 1384267304 /nfs/dbraw/zinc/26/73/04/1384267304.db2.gz BJNZANIITVTTSD-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP CC[C@@H]1C[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)CCO1 ZINC001170215383 1384267308 /nfs/dbraw/zinc/26/73/08/1384267308.db2.gz BJNZANIITVTTSD-LZLYRXPVSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCCC[NH2+]CCC3CC3)ccn12 ZINC001170784876 1384384367 /nfs/dbraw/zinc/38/43/67/1384384367.db2.gz KFDMRVMMWJVCQJ-OAHLLOKOSA-N 2 2 342.487 3.321 20 0 EGADLP Brc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC001170863431 1384400832 /nfs/dbraw/zinc/40/08/32/1384400832.db2.gz OQNCBTHBTNNUPE-ROUUACIJSA-N 2 2 349.316 3.380 20 0 EGADLP Brc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC001170863431 1384400833 /nfs/dbraw/zinc/40/08/33/1384400833.db2.gz OQNCBTHBTNNUPE-ROUUACIJSA-N 2 2 349.316 3.380 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001171150586 1384455559 /nfs/dbraw/zinc/45/55/59/1384455559.db2.gz CNLTYLXMULDFOB-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001171150586 1384455561 /nfs/dbraw/zinc/45/55/61/1384455561.db2.gz CNLTYLXMULDFOB-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359823 1384501819 /nfs/dbraw/zinc/50/18/19/1384501819.db2.gz VYWQSGJTPGHEOI-KBAYOESNSA-N 2 2 346.519 3.358 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359823 1384501825 /nfs/dbraw/zinc/50/18/25/1384501825.db2.gz VYWQSGJTPGHEOI-KBAYOESNSA-N 2 2 346.519 3.358 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359287 1384502247 /nfs/dbraw/zinc/50/22/47/1384502247.db2.gz QIUXYBZIKJQMPZ-DJIMGWMZSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359287 1384502251 /nfs/dbraw/zinc/50/22/51/1384502251.db2.gz QIUXYBZIKJQMPZ-DJIMGWMZSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001171407307 1384514721 /nfs/dbraw/zinc/51/47/21/1384514721.db2.gz CIKKAHMGIROOBD-SJORKVTESA-N 2 2 340.487 3.095 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnc3ccccc3n2)[nH+]1 ZINC001329008140 1388926617 /nfs/dbraw/zinc/92/66/17/1388926617.db2.gz HJXDYTOKOGCKFU-KRWDZBQOSA-N 2 2 333.439 3.410 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnc3ccccc3n2)[nH+]1 ZINC001329008140 1388926622 /nfs/dbraw/zinc/92/66/22/1388926622.db2.gz HJXDYTOKOGCKFU-KRWDZBQOSA-N 2 2 333.439 3.410 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604512 1384577032 /nfs/dbraw/zinc/57/70/32/1384577032.db2.gz IFTPLHSWDZPHNA-RDJZCZTQSA-N 2 2 346.519 3.054 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604512 1384577035 /nfs/dbraw/zinc/57/70/35/1384577035.db2.gz IFTPLHSWDZPHNA-RDJZCZTQSA-N 2 2 346.519 3.054 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171605740 1384578165 /nfs/dbraw/zinc/57/81/65/1384578165.db2.gz QLSFNDYCDNDMQN-MSOLQXFVSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1(C)C ZINC001171641644 1384589880 /nfs/dbraw/zinc/58/98/80/1384589880.db2.gz RWPRMTFBCGIOLT-MRXNPFEDSA-N 2 2 343.506 3.443 20 0 EGADLP C[C@@H]1C[C@H](NC(=[NH2+])c2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001171732836 1384618574 /nfs/dbraw/zinc/61/85/74/1384618574.db2.gz GCNGZMSAYRRPCO-HIFRSBDPSA-N 2 2 328.847 3.313 20 0 EGADLP C[C@@H]1C[C@H](NC(=[NH2+])c2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC001171732836 1384618576 /nfs/dbraw/zinc/61/85/76/1384618576.db2.gz GCNGZMSAYRRPCO-HIFRSBDPSA-N 2 2 328.847 3.313 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@H]1Cc2cccc(F)c2C1)c1ccc(Br)cc1 ZINC001171780341 1384633954 /nfs/dbraw/zinc/63/39/54/1384633954.db2.gz HSELXHXOYXZKSC-YOEHRIQHSA-N 2 2 349.247 3.345 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084692 1384723968 /nfs/dbraw/zinc/72/39/68/1384723968.db2.gz CSFHKFDRQSNCJD-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084692 1384723973 /nfs/dbraw/zinc/72/39/73/1384723973.db2.gz CSFHKFDRQSNCJD-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084692 1384723974 /nfs/dbraw/zinc/72/39/74/1384723974.db2.gz CSFHKFDRQSNCJD-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCOC4(CC4)C2)C3)cc1 ZINC001172084692 1384723976 /nfs/dbraw/zinc/72/39/76/1384723976.db2.gz CSFHKFDRQSNCJD-ACDBMABISA-N 2 2 326.484 3.437 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110978 1384729879 /nfs/dbraw/zinc/72/98/79/1384729879.db2.gz NERSSGKDOOZXTR-ACDBMABISA-N 3 2 327.516 3.038 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110978 1384729883 /nfs/dbraw/zinc/72/98/83/1384729883.db2.gz NERSSGKDOOZXTR-ACDBMABISA-N 3 2 327.516 3.038 20 0 EGADLP CCOc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC001172127592 1384735819 /nfs/dbraw/zinc/73/58/19/1384735819.db2.gz JPNQSJPVNFLLTP-OPVJXMOQSA-N 2 2 343.515 3.223 20 0 EGADLP CCOc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC001172127592 1384735822 /nfs/dbraw/zinc/73/58/22/1384735822.db2.gz JPNQSJPVNFLLTP-OPVJXMOQSA-N 2 2 343.515 3.223 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001317006809 1384770012 /nfs/dbraw/zinc/77/00/12/1384770012.db2.gz WPSSXIKUUJFMSI-UHFFFAOYSA-N 2 2 348.535 3.102 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CCOC(C)C ZINC001172440481 1384791828 /nfs/dbraw/zinc/79/18/28/1384791828.db2.gz MOWRHYSZBCMUCT-YZGWKJHDSA-N 2 2 334.504 3.069 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CCOC(C)C ZINC001172440481 1384791830 /nfs/dbraw/zinc/79/18/30/1384791830.db2.gz MOWRHYSZBCMUCT-YZGWKJHDSA-N 2 2 334.504 3.069 20 0 EGADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172561464 1384811923 /nfs/dbraw/zinc/81/19/23/1384811923.db2.gz WOQSALNPKJHYDY-MLNNCEHLSA-N 2 2 335.495 3.124 20 0 EGADLP CCCOC1CCC([NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)CC1 ZINC001173097303 1384912953 /nfs/dbraw/zinc/91/29/53/1384912953.db2.gz BPYGAKJVTNGTTH-KHQYNDFOSA-N 2 2 343.515 3.183 20 0 EGADLP c1nc2c(s1)C[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1)CC2 ZINC001173140712 1384923320 /nfs/dbraw/zinc/92/33/20/1384923320.db2.gz LYLUTFZZPKWGID-ROUUACIJSA-N 2 2 341.524 3.297 20 0 EGADLP COC(=O)CCCC[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001173445930 1384972211 /nfs/dbraw/zinc/97/22/11/1384972211.db2.gz PZYLBRNVUIXYBN-OAHLLOKOSA-N 2 2 336.451 3.197 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC(n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001173624431 1384990874 /nfs/dbraw/zinc/99/08/74/1384990874.db2.gz XQNDZVNFCCZIKS-XZZQLLPFSA-N 2 2 331.460 3.035 20 0 EGADLP CCOC(=O)CCCc1[nH+]c2cc(Nc3cc[nH+]cc3)ccc2n1C ZINC001173883461 1385024823 /nfs/dbraw/zinc/02/48/23/1385024823.db2.gz QFWPYSRVAQXEOK-UHFFFAOYSA-N 2 2 338.411 3.020 20 0 EGADLP c1ccc2c(Nc3cccc(OCC[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC001174038914 1385049223 /nfs/dbraw/zinc/04/92/23/1385049223.db2.gz SOLRIMHMFDKUNG-UHFFFAOYSA-N 2 2 349.434 3.111 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001174691398 1385134744 /nfs/dbraw/zinc/13/47/44/1385134744.db2.gz KGXRCUXZSJQMKD-MRXNPFEDSA-N 2 2 348.878 3.161 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175208374 1385220462 /nfs/dbraw/zinc/22/04/62/1385220462.db2.gz CZWFZOXXLVGBBV-HZPDHXFCSA-N 2 2 334.508 3.284 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175461024 1385299353 /nfs/dbraw/zinc/29/93/53/1385299353.db2.gz KWPHLEWRIPEZPR-INIZCTEOSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175461025 1385299513 /nfs/dbraw/zinc/29/95/13/1385299513.db2.gz KWPHLEWRIPEZPR-MRXNPFEDSA-N 2 2 348.535 3.433 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c(C)s1 ZINC001175880896 1385428551 /nfs/dbraw/zinc/42/85/51/1385428551.db2.gz GNJILENTNZSLLX-ZDUSSCGKSA-N 2 2 348.516 3.095 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)cc1 ZINC001176351004 1385559921 /nfs/dbraw/zinc/55/99/21/1385559921.db2.gz OHPOPWLKMOVQBF-INIZCTEOSA-N 2 2 342.487 3.034 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001176351984 1385560510 /nfs/dbraw/zinc/56/05/10/1385560510.db2.gz XYXAEXPYNLZRAH-OAHLLOKOSA-N 2 2 334.508 3.106 20 0 EGADLP CCOc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc(C)[nH+]1 ZINC001176379664 1385569079 /nfs/dbraw/zinc/56/90/79/1385569079.db2.gz KDTISDXSYRTYNS-UHFFFAOYSA-N 2 2 341.455 3.407 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176391176 1385574058 /nfs/dbraw/zinc/57/40/58/1385574058.db2.gz BBQOZWRTQMCSFP-MRXNPFEDSA-N 2 2 336.524 3.054 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1c[nH+]cn1C ZINC001176401871 1385576628 /nfs/dbraw/zinc/57/66/28/1385576628.db2.gz NILCKPLGVIHAHX-INIZCTEOSA-N 2 2 336.524 3.054 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001176656685 1385648385 /nfs/dbraw/zinc/64/83/85/1385648385.db2.gz YHCRWRVSITZICN-UHFFFAOYSA-N 2 2 348.454 3.071 20 0 EGADLP CCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769759 1385690521 /nfs/dbraw/zinc/69/05/21/1385690521.db2.gz UTOZTNAJLVCXRG-PKOBYXMFSA-N 2 2 348.535 3.139 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001176829765 1385716319 /nfs/dbraw/zinc/71/63/19/1385716319.db2.gz PQDVPHDSWUAETO-OAHLLOKOSA-N 2 2 348.878 3.001 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nn(C)c3ccccc23)[nH+]1 ZINC001319710628 1386263783 /nfs/dbraw/zinc/26/37/83/1386263783.db2.gz BEESZDSLZRMUAP-INIZCTEOSA-N 2 2 335.455 3.353 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nn(C)c3ccccc23)[nH+]1 ZINC001319710628 1386263788 /nfs/dbraw/zinc/26/37/88/1386263788.db2.gz BEESZDSLZRMUAP-INIZCTEOSA-N 2 2 335.455 3.353 20 0 EGADLP CC1(C)CCC[C@H](C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC001178778202 1386301004 /nfs/dbraw/zinc/30/10/04/1386301004.db2.gz JHIJUPQOKMSIRG-FXAWDEMLSA-N 2 2 330.516 3.212 20 0 EGADLP CC1(C)CCC[C@H](C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC001178778202 1386301011 /nfs/dbraw/zinc/30/10/11/1386301011.db2.gz JHIJUPQOKMSIRG-FXAWDEMLSA-N 2 2 330.516 3.212 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957294 1386360801 /nfs/dbraw/zinc/36/08/01/1386360801.db2.gz WGUGBRAIBZVCEF-OKZBNKHCSA-N 2 2 334.508 3.095 20 0 EGADLP CCOCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001320184328 1386552042 /nfs/dbraw/zinc/55/20/42/1386552042.db2.gz SSDICCXIYOLUMM-GOSISDBHSA-N 2 2 343.471 3.248 20 0 EGADLP CCOCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001320184328 1386552045 /nfs/dbraw/zinc/55/20/45/1386552045.db2.gz SSDICCXIYOLUMM-GOSISDBHSA-N 2 2 343.471 3.248 20 0 EGADLP C[C@H](CC(=O)NCCCCCC[NH2+]CC1CCCC1)n1cc[nH+]c1 ZINC001179705455 1386560677 /nfs/dbraw/zinc/56/06/77/1386560677.db2.gz FLCSPLDQZMPFHY-QGZVFWFLSA-N 2 2 334.508 3.291 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC001320674806 1386688705 /nfs/dbraw/zinc/68/87/05/1386688705.db2.gz GIDRWZRVCIWYMD-MRXNPFEDSA-N 2 2 348.406 3.340 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001180158294 1386717240 /nfs/dbraw/zinc/71/72/40/1386717240.db2.gz IFKGTBQKVQLZML-UHFFFAOYSA-N 2 2 348.535 3.497 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180179772 1386722747 /nfs/dbraw/zinc/72/27/47/1386722747.db2.gz XJLFAJXYQOGBGG-UHFFFAOYSA-N 2 2 336.524 3.055 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1Cl)C(=O)CCn1cc[nH+]c1 ZINC001320810437 1386725549 /nfs/dbraw/zinc/72/55/49/1386725549.db2.gz VSRDIEWYQRFIIO-HNNXBMFYSA-N 2 2 348.878 3.126 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@H+](C)CCCO)CC2)c(C)c1 ZINC001180233738 1386740886 /nfs/dbraw/zinc/74/08/86/1386740886.db2.gz HEAAIPDSCFMJTL-ALCCZGGFSA-N 2 2 330.516 3.404 20 0 EGADLP Cc1cc(C)c(/C=C\C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC001180233738 1386740890 /nfs/dbraw/zinc/74/08/90/1386740890.db2.gz HEAAIPDSCFMJTL-ALCCZGGFSA-N 2 2 330.516 3.404 20 0 EGADLP COC(=O)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC001321089080 1386806095 /nfs/dbraw/zinc/80/60/95/1386806095.db2.gz JKFDTPGAUMQRBZ-UHFFFAOYSA-N 2 2 339.370 3.088 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180469804 1386807300 /nfs/dbraw/zinc/80/73/00/1386807300.db2.gz GDKKODMVDJWFIP-UHFFFAOYSA-N 2 2 332.492 3.040 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652710 1386949479 /nfs/dbraw/zinc/94/94/79/1386949479.db2.gz LLYCNJLLVKJZBF-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001321652710 1386949482 /nfs/dbraw/zinc/94/94/82/1386949482.db2.gz LLYCNJLLVKJZBF-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001181903538 1387073466 /nfs/dbraw/zinc/07/34/66/1387073466.db2.gz IVOVJGXHEZHWIW-JLTOFOAXSA-N 2 2 340.471 3.051 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001182116454 1387108282 /nfs/dbraw/zinc/10/82/82/1387108282.db2.gz WMVGTTCNFQHKED-JXXFODFXSA-N 2 2 342.487 3.068 20 0 EGADLP CC(C)[NH2+]CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001698698260 1406341889 /nfs/dbraw/zinc/34/18/89/1406341889.db2.gz ROXIKSLQWXPZTQ-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309109 1387144545 /nfs/dbraw/zinc/14/45/45/1387144545.db2.gz NAFVUIZTHMWDBO-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)CN1C(=O)OC(C)(C)C ZINC001182309109 1387144550 /nfs/dbraw/zinc/14/45/50/1387144550.db2.gz NAFVUIZTHMWDBO-CVEARBPZSA-N 2 2 339.524 3.238 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001322870212 1387249994 /nfs/dbraw/zinc/24/99/94/1387249994.db2.gz ZPFBVYUUCCZTRU-UHFFFAOYSA-N 2 2 335.342 3.448 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001698767766 1406426083 /nfs/dbraw/zinc/42/60/83/1406426083.db2.gz YFUAPBSACIXOLQ-KBPBESRZSA-N 2 2 348.516 3.055 20 0 EGADLP CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC001340138379 1390234486 /nfs/dbraw/zinc/23/44/86/1390234486.db2.gz GJQFNIWEHJQRND-YDHLFZDLSA-N 2 2 338.521 3.077 20 0 EGADLP CCc1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)o1 ZINC001334778578 1390587039 /nfs/dbraw/zinc/58/70/39/1390587039.db2.gz BUKYURBSPYGOQR-HZPDHXFCSA-N 2 2 327.472 3.483 20 0 EGADLP CO[C@H]1CCC[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)C1 ZINC001344379723 1390787964 /nfs/dbraw/zinc/78/79/64/1390787964.db2.gz BOUWWLYLTCYAHN-CABCVRRESA-N 2 2 328.416 3.110 20 0 EGADLP C[NH2+][C@H](C)CC[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001345106066 1390837931 /nfs/dbraw/zinc/83/79/31/1390837931.db2.gz VEDDTBBNYNKKDM-CQSZACIVSA-N 2 2 334.895 3.289 20 0 EGADLP O[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001351472997 1391643078 /nfs/dbraw/zinc/64/30/78/1391643078.db2.gz CZOBTFBMPQZCMY-NRFANRHFSA-N 2 2 333.435 3.356 20 0 EGADLP O[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001351472997 1391643081 /nfs/dbraw/zinc/64/30/81/1391643081.db2.gz CZOBTFBMPQZCMY-NRFANRHFSA-N 2 2 333.435 3.356 20 0 EGADLP COCCc1ncc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001352838304 1391858220 /nfs/dbraw/zinc/85/82/20/1391858220.db2.gz AEKCHXWCVJVEES-HNNXBMFYSA-N 2 2 346.500 3.112 20 0 EGADLP COCCc1ncc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)s1 ZINC001352838304 1391858226 /nfs/dbraw/zinc/85/82/26/1391858226.db2.gz AEKCHXWCVJVEES-HNNXBMFYSA-N 2 2 346.500 3.112 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(C)cc3)CC2)[nH+]c1C ZINC001353354027 1391995491 /nfs/dbraw/zinc/99/54/91/1391995491.db2.gz MUOXAPWNVPDPTH-UHFFFAOYSA-N 2 2 326.444 3.153 20 0 EGADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)c1ccccc1Cl ZINC001480991578 1393072925 /nfs/dbraw/zinc/07/29/25/1393072925.db2.gz YMNSEBBHDBEQIK-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H](C)c1ccccc1Cl ZINC001480991578 1393072930 /nfs/dbraw/zinc/07/29/30/1393072930.db2.gz YMNSEBBHDBEQIK-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+][C@H](C)c3ccccc3)ccn12 ZINC001481230350 1393151561 /nfs/dbraw/zinc/15/15/61/1393151561.db2.gz ODCZVUGUTAGZQF-MRXNPFEDSA-N 2 2 336.439 3.066 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001498443222 1396996143 /nfs/dbraw/zinc/99/61/43/1396996143.db2.gz JWBYNJVFYSURMX-OCCSQVGLSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001498443222 1396996146 /nfs/dbraw/zinc/99/61/46/1396996146.db2.gz JWBYNJVFYSURMX-OCCSQVGLSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001690504406 1404616654 /nfs/dbraw/zinc/61/66/54/1404616654.db2.gz DATLNMHFJYCZLC-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001690504406 1404616657 /nfs/dbraw/zinc/61/66/57/1404616657.db2.gz DATLNMHFJYCZLC-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP CC1CC(C[N@@H+]2CC[C@@H](CCNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001691893983 1405616881 /nfs/dbraw/zinc/61/68/81/1405616881.db2.gz XMQGYJBSDXANBC-HWOWSKLDSA-N 2 2 340.471 3.051 20 0 EGADLP CC1CC(C[N@H+]2CC[C@@H](CCNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001691893983 1405616886 /nfs/dbraw/zinc/61/68/86/1405616886.db2.gz XMQGYJBSDXANBC-HWOWSKLDSA-N 2 2 340.471 3.051 20 0 EGADLP CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001699146453 1412534720 /nfs/dbraw/zinc/53/47/20/1412534720.db2.gz DJGZPHCTXDUGFW-CZUORRHYSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001699752237 1413159894 /nfs/dbraw/zinc/15/98/94/1413159894.db2.gz PFTAHUGUBAZONA-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC(C)C[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001699796897 1413206177 /nfs/dbraw/zinc/20/61/77/1413206177.db2.gz WMSTVWQDHIONFT-GOSISDBHSA-N 2 2 328.460 3.097 20 0 EGADLP C[N@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713892011 1418688529 /nfs/dbraw/zinc/68/85/29/1418688529.db2.gz OUWJDGQHENZLBJ-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713892011 1418688532 /nfs/dbraw/zinc/68/85/32/1418688532.db2.gz OUWJDGQHENZLBJ-INIZCTEOSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cccc(Cl)c1 ZINC001714246461 1419033450 /nfs/dbraw/zinc/03/34/50/1419033450.db2.gz FLPAJJOBSVOVCH-LBPRGKRZSA-N 2 2 342.830 3.124 20 0 EGADLP Cc1ccc(C)c(C[N@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001714548755 1419275777 /nfs/dbraw/zinc/27/57/77/1419275777.db2.gz QYTVIYSNIGAMQZ-UHFFFAOYSA-N 2 2 336.439 3.042 20 0 EGADLP Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001714548755 1419275779 /nfs/dbraw/zinc/27/57/79/1419275779.db2.gz QYTVIYSNIGAMQZ-UHFFFAOYSA-N 2 2 336.439 3.042 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609354 1419368774 /nfs/dbraw/zinc/36/87/74/1419368774.db2.gz GBIOPMKZOAPEFA-RTBURBONSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609354 1419368776 /nfs/dbraw/zinc/36/87/76/1419368776.db2.gz GBIOPMKZOAPEFA-RTBURBONSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609354 1419368779 /nfs/dbraw/zinc/36/87/79/1419368779.db2.gz GBIOPMKZOAPEFA-RTBURBONSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609354 1419368780 /nfs/dbraw/zinc/36/87/80/1419368780.db2.gz GBIOPMKZOAPEFA-RTBURBONSA-N 2 2 340.471 3.074 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001714881935 1419618955 /nfs/dbraw/zinc/61/89/55/1419618955.db2.gz ZJCGSNITCGZTNA-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001714881935 1419618958 /nfs/dbraw/zinc/61/89/58/1419618958.db2.gz ZJCGSNITCGZTNA-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001715983603 1420442074 /nfs/dbraw/zinc/44/20/74/1420442074.db2.gz DCQLJDCNLCIOFV-YOEHRIQHSA-N 2 2 348.878 3.172 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001716685883 1420839675 /nfs/dbraw/zinc/83/96/75/1420839675.db2.gz PXNKTZQVZYQUDL-CQSZACIVSA-N 2 2 328.460 3.097 20 0 EGADLP C[C@@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001717116395 1421120692 /nfs/dbraw/zinc/12/06/92/1421120692.db2.gz UFRAPXDWWLUSKM-WCCBRBCKSA-N 2 2 346.862 3.062 20 0 EGADLP C[C@@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717116395 1421120694 /nfs/dbraw/zinc/12/06/94/1421120694.db2.gz UFRAPXDWWLUSKM-WCCBRBCKSA-N 2 2 346.862 3.062 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311295 1421255116 /nfs/dbraw/zinc/25/51/16/1421255116.db2.gz AHIHKOGKCQXKSP-QGZVFWFLSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)CC1(C)C ZINC001717311295 1421255118 /nfs/dbraw/zinc/25/51/18/1421255118.db2.gz AHIHKOGKCQXKSP-QGZVFWFLSA-N 2 2 348.535 3.304 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375252 1421316720 /nfs/dbraw/zinc/31/67/20/1421316720.db2.gz VZKUQCKSJXMOBU-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001717375252 1421316722 /nfs/dbraw/zinc/31/67/22/1421316722.db2.gz VZKUQCKSJXMOBU-RTBURBONSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@H+](CCC2CC2)C1 ZINC001733463469 1429692595 /nfs/dbraw/zinc/69/25/95/1429692595.db2.gz PWRYZGJAHVLOAZ-HXUWFJFHSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@@H+](CCC2CC2)C1 ZINC001733463469 1429692596 /nfs/dbraw/zinc/69/25/96/1429692596.db2.gz PWRYZGJAHVLOAZ-HXUWFJFHSA-N 2 2 340.471 3.195 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325036 1424813106 /nfs/dbraw/zinc/81/31/06/1424813106.db2.gz UDCWXVZRARQTMJ-XLIONFOSSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724325036 1424813107 /nfs/dbraw/zinc/81/31/07/1424813107.db2.gz UDCWXVZRARQTMJ-XLIONFOSSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325036 1424813115 /nfs/dbraw/zinc/81/31/15/1424813115.db2.gz UDCWXVZRARQTMJ-XLIONFOSSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724325036 1424813122 /nfs/dbraw/zinc/81/31/22/1424813122.db2.gz UDCWXVZRARQTMJ-XLIONFOSSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001725515915 1426206136 /nfs/dbraw/zinc/20/61/36/1426206136.db2.gz ONSDJRFVMZOEKO-OAHLLOKOSA-N 2 2 334.508 3.058 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001731387874 1427336670 /nfs/dbraw/zinc/33/66/70/1427336670.db2.gz OXSRQXKAOKXLFU-UHFFFAOYSA-N 2 2 348.535 3.400 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001731603116 1427647049 /nfs/dbraw/zinc/64/70/49/1427647049.db2.gz YVWUHHRBDMFIKJ-YOEHRIQHSA-N 2 2 336.439 3.422 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001734328181 1438052906 /nfs/dbraw/zinc/05/29/06/1438052906.db2.gz ILVLFGKROHSMDA-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001734328181 1438052909 /nfs/dbraw/zinc/05/29/09/1438052909.db2.gz ILVLFGKROHSMDA-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001734335467 1438057846 /nfs/dbraw/zinc/05/78/46/1438057846.db2.gz WITSYOQBHKKMAI-CABCVRRESA-N 2 2 330.476 3.295 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734337152 1438058811 /nfs/dbraw/zinc/05/88/11/1438058811.db2.gz XZURRNWGHXZAAK-JKSUJKDBSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001752143383 1440144894 /nfs/dbraw/zinc/14/48/94/1440144894.db2.gz MKZRWHUGCJBFBA-ZWKOTPCHSA-N 2 2 334.508 3.069 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783265 1440209873 /nfs/dbraw/zinc/20/98/73/1440209873.db2.gz WZGCDJJQIVNHIR-ROUUACIJSA-N 2 2 334.508 3.099 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752783265 1440209874 /nfs/dbraw/zinc/20/98/74/1440209874.db2.gz WZGCDJJQIVNHIR-ROUUACIJSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@@H](CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036390 1440274963 /nfs/dbraw/zinc/27/49/63/1440274963.db2.gz XMMOGMPRSBLPGC-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036390 1440274964 /nfs/dbraw/zinc/27/49/64/1440274964.db2.gz XMMOGMPRSBLPGC-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)(C)CCC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001753506384 1440424547 /nfs/dbraw/zinc/42/45/47/1440424547.db2.gz RPGYZRURLCXQQJ-UHFFFAOYSA-N 2 2 334.508 3.118 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001753587422 1440441732 /nfs/dbraw/zinc/44/17/32/1440441732.db2.gz VWHXDZRJBHJFEH-WKILWMFISA-N 2 2 334.508 3.104 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753714662 1440471454 /nfs/dbraw/zinc/47/14/54/1440471454.db2.gz GTKHXJNMMKIYAE-ZIAGYGMSSA-N 2 2 348.516 3.149 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC001753747352 1440481535 /nfs/dbraw/zinc/48/15/35/1440481535.db2.gz OREVTOMSINCEPK-GOSISDBHSA-N 2 2 348.535 3.364 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001753766898 1440484869 /nfs/dbraw/zinc/48/48/69/1440484869.db2.gz LJAZAQCTXZXGDB-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP C[C@H](CC[NH2+]CC1CCC(C)CC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001753983259 1440528314 /nfs/dbraw/zinc/52/83/14/1440528314.db2.gz XJYLLOLELDDJDK-AQFXKWCLSA-N 2 2 342.487 3.259 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001754277124 1440562468 /nfs/dbraw/zinc/56/24/68/1440562468.db2.gz UTMKYQVHRDESQB-SJORKVTESA-N 2 2 342.487 3.262 20 0 EGADLP C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320480 1440577624 /nfs/dbraw/zinc/57/76/24/1440577624.db2.gz VKRRMDHFWFDKGG-INIZCTEOSA-N 2 2 340.471 3.275 20 0 EGADLP C[C@@H](C[N@@H+](C)CCC1=CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320480 1440577625 /nfs/dbraw/zinc/57/76/25/1440577625.db2.gz VKRRMDHFWFDKGG-INIZCTEOSA-N 2 2 340.471 3.275 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccsc2)c(C)[nH+]1 ZINC001754386911 1440593930 /nfs/dbraw/zinc/59/39/30/1440593930.db2.gz RQPNOFNMGNATLP-UHFFFAOYSA-N 2 2 331.485 3.320 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564714 1440634951 /nfs/dbraw/zinc/63/49/51/1440634951.db2.gz HSKPUJPDYSVWKZ-AZUAARDMSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564714 1440634952 /nfs/dbraw/zinc/63/49/52/1440634952.db2.gz HSKPUJPDYSVWKZ-AZUAARDMSA-N 2 2 346.519 3.051 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001754612983 1440644039 /nfs/dbraw/zinc/64/40/39/1440644039.db2.gz QCAMSNWMRIEKQW-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP C[C@H](F)CC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001754649494 1440651443 /nfs/dbraw/zinc/65/14/43/1440651443.db2.gz DCXYTEKOKCKKOB-UGSOOPFHSA-N 2 2 346.450 3.189 20 0 EGADLP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754678249 1440660857 /nfs/dbraw/zinc/66/08/57/1440660857.db2.gz QGVDBAFJOCMRHO-HXUWFJFHSA-N 2 2 340.471 3.257 20 0 EGADLP CCCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754678249 1440660858 /nfs/dbraw/zinc/66/08/58/1440660858.db2.gz QGVDBAFJOCMRHO-HXUWFJFHSA-N 2 2 340.471 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001755167288 1440767745 /nfs/dbraw/zinc/76/77/45/1440767745.db2.gz MJUVNKPJXWJPNK-HOCLYGCPSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001755167288 1440767746 /nfs/dbraw/zinc/76/77/46/1440767746.db2.gz MJUVNKPJXWJPNK-HOCLYGCPSA-N 2 2 334.508 3.056 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755246606 1440790765 /nfs/dbraw/zinc/79/07/65/1440790765.db2.gz RLCYLTLGLJISDR-IRXDYDNUSA-N 2 2 342.487 3.405 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCCC1 ZINC001755355411 1440829255 /nfs/dbraw/zinc/82/92/55/1440829255.db2.gz FFUFOTQVLCKNPN-UHFFFAOYSA-N 2 2 348.535 3.496 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001755456339 1440855668 /nfs/dbraw/zinc/85/56/68/1440855668.db2.gz SKHCFCTVXLLXNF-PLNGDYQASA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001755456339 1440855669 /nfs/dbraw/zinc/85/56/69/1440855669.db2.gz SKHCFCTVXLLXNF-PLNGDYQASA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001755456339 1440855670 /nfs/dbraw/zinc/85/56/70/1440855670.db2.gz SKHCFCTVXLLXNF-PLNGDYQASA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001755456339 1440855671 /nfs/dbraw/zinc/85/56/71/1440855671.db2.gz SKHCFCTVXLLXNF-PLNGDYQASA-N 2 2 344.503 3.013 20 0 EGADLP C[N@H+](CC1=CCCCC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001755536722 1440869973 /nfs/dbraw/zinc/86/99/73/1440869973.db2.gz FMFFRQQPLHNRKG-UHFFFAOYSA-N 2 2 344.503 3.087 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001755536722 1440869974 /nfs/dbraw/zinc/86/99/74/1440869974.db2.gz FMFFRQQPLHNRKG-UHFFFAOYSA-N 2 2 344.503 3.087 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CC2CCC(C)CC2)c[nH+]1 ZINC001755592984 1440881858 /nfs/dbraw/zinc/88/18/58/1440881858.db2.gz PEAOUVJXMFUTCC-UPTPFMHGSA-N 2 2 348.535 3.189 20 0 EGADLP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCC1=CCCCC1 ZINC001755606538 1440885683 /nfs/dbraw/zinc/88/56/83/1440885683.db2.gz LKHHMRYWMNNNGC-SJORKVTESA-N 2 2 332.492 3.161 20 0 EGADLP CCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164629907 719086386 /nfs/dbraw/zinc/08/63/86/719086386.db2.gz UCSPCAAPORNWDB-QUCCMNQESA-N 2 2 336.483 3.448 20 0 EGADLP CCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164629907 719086391 /nfs/dbraw/zinc/08/63/91/719086391.db2.gz UCSPCAAPORNWDB-QUCCMNQESA-N 2 2 336.483 3.448 20 0 EGADLP CC[NH+](CC)C1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC001165054591 722006646 /nfs/dbraw/zinc/00/66/46/722006646.db2.gz SMPVMQBJGFFQKW-INIZCTEOSA-N 2 2 331.508 3.024 20 0 EGADLP CC[NH+](CC)C1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC001165054591 722006648 /nfs/dbraw/zinc/00/66/48/722006648.db2.gz SMPVMQBJGFFQKW-INIZCTEOSA-N 2 2 331.508 3.024 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[NH2+]CCCn3cc[nH+]c3)n2)ccc1F ZINC000368317170 168342519 /nfs/dbraw/zinc/34/25/19/168342519.db2.gz VZLXHMTZGKTIMI-CYBMUJFWSA-N 2 2 329.379 3.122 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1Br ZINC000130380044 529898885 /nfs/dbraw/zinc/89/88/85/529898885.db2.gz BEQGRXSHIUJUIO-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)ccc1Br ZINC000130380044 529898886 /nfs/dbraw/zinc/89/88/86/529898886.db2.gz BEQGRXSHIUJUIO-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP Cc1nnc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448812 282339328 /nfs/dbraw/zinc/33/93/28/282339328.db2.gz VSQCEVZRKDVZND-QGTPRVQTSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448812 282339332 /nfs/dbraw/zinc/33/93/32/282339332.db2.gz VSQCEVZRKDVZND-QGTPRVQTSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448812 282339336 /nfs/dbraw/zinc/33/93/36/282339336.db2.gz VSQCEVZRKDVZND-QGTPRVQTSA-N 2 2 342.512 3.361 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000352448812 282339340 /nfs/dbraw/zinc/33/93/40/282339340.db2.gz VSQCEVZRKDVZND-QGTPRVQTSA-N 2 2 342.512 3.361 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880735 530059086 /nfs/dbraw/zinc/05/90/86/530059086.db2.gz FHXUGFFDCWSECP-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880735 530059087 /nfs/dbraw/zinc/05/90/87/530059087.db2.gz FHXUGFFDCWSECP-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880735 530059088 /nfs/dbraw/zinc/05/90/88/530059088.db2.gz FHXUGFFDCWSECP-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880735 530059089 /nfs/dbraw/zinc/05/90/89/530059089.db2.gz FHXUGFFDCWSECP-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000069171327 215367445 /nfs/dbraw/zinc/36/74/45/215367445.db2.gz SKHBKFFGLQULKC-HXUWFJFHSA-N 2 2 345.437 3.043 20 0 EGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000361189700 282986075 /nfs/dbraw/zinc/98/60/75/282986075.db2.gz WLNUXHNZXSWTBL-MRXNPFEDSA-N 2 2 345.393 3.442 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)ccc1F ZINC000181105888 234088161 /nfs/dbraw/zinc/08/81/61/234088161.db2.gz LGYADERUXQPSOZ-AWEZNQCLSA-N 2 2 343.406 3.464 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)ccc1F ZINC000181105888 234088163 /nfs/dbraw/zinc/08/81/63/234088163.db2.gz LGYADERUXQPSOZ-AWEZNQCLSA-N 2 2 343.406 3.464 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183408872 235055077 /nfs/dbraw/zinc/05/50/77/235055077.db2.gz PKZPOJPOCANAET-FQEVSTJZSA-N 2 2 343.446 3.011 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ncc(Br)cc1F ZINC000186957656 236078559 /nfs/dbraw/zinc/07/85/59/236078559.db2.gz DIUWXBWYZXEBII-SNVBAGLBSA-N 2 2 342.256 3.261 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000037320221 213139756 /nfs/dbraw/zinc/13/97/56/213139756.db2.gz OHFYSOZQYWYVCO-NEPJUHHUSA-N 2 2 338.249 3.394 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000072803346 216308948 /nfs/dbraw/zinc/30/89/48/216308948.db2.gz XFGGZHHQDUHUKG-IRXDYDNUSA-N 2 2 347.503 3.076 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000072803346 216308951 /nfs/dbraw/zinc/30/89/51/216308951.db2.gz XFGGZHHQDUHUKG-IRXDYDNUSA-N 2 2 347.503 3.076 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868898 216322192 /nfs/dbraw/zinc/32/21/92/216322192.db2.gz TZNZHTDFIYSURS-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868898 216322195 /nfs/dbraw/zinc/32/21/95/216322195.db2.gz TZNZHTDFIYSURS-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868898 216322197 /nfs/dbraw/zinc/32/21/97/216322197.db2.gz TZNZHTDFIYSURS-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868898 216322199 /nfs/dbraw/zinc/32/21/99/216322199.db2.gz TZNZHTDFIYSURS-MJGOQNOKSA-N 2 2 345.531 3.134 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193945887 240373886 /nfs/dbraw/zinc/37/38/86/240373886.db2.gz KPGFQPPSZDMZKC-ATZDWAIDSA-N 2 2 325.456 3.282 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231455074 242268145 /nfs/dbraw/zinc/26/81/45/242268145.db2.gz XZPJXLFDZWDEJW-ZDUSSCGKSA-N 2 2 327.266 3.032 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231455074 242268147 /nfs/dbraw/zinc/26/81/47/242268147.db2.gz XZPJXLFDZWDEJW-ZDUSSCGKSA-N 2 2 327.266 3.032 20 0 EGADLP C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186320677 296114697 /nfs/dbraw/zinc/11/46/97/296114697.db2.gz OCXBXWGLQIHXIS-RHSMWYFYSA-N 2 2 343.437 3.294 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000179508539 296129516 /nfs/dbraw/zinc/12/95/16/296129516.db2.gz FRMVRXQPFXQJKG-MJXUCMMTSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCOC1 ZINC000179508539 296129518 /nfs/dbraw/zinc/12/95/18/296129518.db2.gz FRMVRXQPFXQJKG-MJXUCMMTSA-N 2 2 340.870 3.487 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000110112060 220017962 /nfs/dbraw/zinc/01/79/62/220017962.db2.gz VLILKWPSPMQKNK-KRWDZBQOSA-N 2 2 325.460 3.182 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243485 220122592 /nfs/dbraw/zinc/12/25/92/220122592.db2.gz OIOGKTPSAAYGIE-AWEZNQCLSA-N 2 2 344.484 3.269 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261770154 296226794 /nfs/dbraw/zinc/22/67/94/296226794.db2.gz VWGCSILMYCVGCN-JSGCOSHPSA-N 2 2 328.287 3.034 20 0 EGADLP C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000264914289 247039832 /nfs/dbraw/zinc/03/98/32/247039832.db2.gz OQCSHRRJWYURGC-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000264914289 247039834 /nfs/dbraw/zinc/03/98/34/247039834.db2.gz OQCSHRRJWYURGC-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Cl)ccc1F ZINC000378372966 169109307 /nfs/dbraw/zinc/10/93/07/169109307.db2.gz SMMRXZHRLLWQHF-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)ccc1F ZINC000378372966 169109308 /nfs/dbraw/zinc/10/93/08/169109308.db2.gz SMMRXZHRLLWQHF-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000092066064 218112608 /nfs/dbraw/zinc/11/26/08/218112608.db2.gz IBUWRFUGJDDGSL-BEFAXECRSA-N 2 2 330.472 3.153 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OC)c1 ZINC000092066064 218112610 /nfs/dbraw/zinc/11/26/10/218112610.db2.gz IBUWRFUGJDDGSL-BEFAXECRSA-N 2 2 330.472 3.153 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OC)c1 ZINC000092066064 218112612 /nfs/dbraw/zinc/11/26/12/218112612.db2.gz IBUWRFUGJDDGSL-BEFAXECRSA-N 2 2 330.472 3.153 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OC)c1 ZINC000092066064 218112614 /nfs/dbraw/zinc/11/26/14/218112614.db2.gz IBUWRFUGJDDGSL-BEFAXECRSA-N 2 2 330.472 3.153 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000112173958 220255650 /nfs/dbraw/zinc/25/56/50/220255650.db2.gz UBKMFDHNKTVFJB-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000112173958 220255654 /nfs/dbraw/zinc/25/56/54/220255654.db2.gz UBKMFDHNKTVFJB-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648495 218156111 /nfs/dbraw/zinc/15/61/11/218156111.db2.gz LNWNBZNWXSKSGC-UHFFFAOYSA-N 2 2 343.381 3.389 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648665 218155495 /nfs/dbraw/zinc/15/54/95/218155495.db2.gz YWKBOPKODGCUDN-UHFFFAOYSA-N 2 2 325.391 3.249 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC(F)F ZINC000093770682 218249106 /nfs/dbraw/zinc/24/91/06/218249106.db2.gz NAJQQJGBVYWXPE-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC(F)F ZINC000093770682 218249107 /nfs/dbraw/zinc/24/91/07/218249107.db2.gz NAJQQJGBVYWXPE-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)ccc1OC(F)F ZINC000093770682 218249108 /nfs/dbraw/zinc/24/91/08/218249108.db2.gz NAJQQJGBVYWXPE-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)ccc1OC(F)F ZINC000093770682 218249110 /nfs/dbraw/zinc/24/91/10/218249110.db2.gz NAJQQJGBVYWXPE-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)C[NH+]1CCOCC1 ZINC000153359238 224093190 /nfs/dbraw/zinc/09/31/90/224093190.db2.gz ZEHSOGDUQZWNTR-MSOLQXFVSA-N 2 2 339.483 3.368 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268862637 252312215 /nfs/dbraw/zinc/31/22/15/252312215.db2.gz SGDQJGRIGAYOSM-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268862637 252312218 /nfs/dbraw/zinc/31/22/18/252312218.db2.gz SGDQJGRIGAYOSM-GOEBONIOSA-N 2 2 332.879 3.074 20 0 EGADLP Brc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)nc1 ZINC000351550736 532965265 /nfs/dbraw/zinc/96/52/65/532965265.db2.gz PEMIYXJCNMMZMC-UHFFFAOYSA-N 2 2 344.216 3.096 20 0 EGADLP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268851437 252298714 /nfs/dbraw/zinc/29/87/14/252298714.db2.gz CIRJZWCRIQSQGZ-IEBWSBKVSA-N 2 2 333.520 3.152 20 0 EGADLP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268851437 252298719 /nfs/dbraw/zinc/29/87/19/252298719.db2.gz CIRJZWCRIQSQGZ-IEBWSBKVSA-N 2 2 333.520 3.152 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106543277 296385157 /nfs/dbraw/zinc/38/51/57/296385157.db2.gz GZSLRQBYFVMCQQ-HZPDHXFCSA-N 2 2 347.507 3.157 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106543277 296385160 /nfs/dbraw/zinc/38/51/60/296385160.db2.gz GZSLRQBYFVMCQQ-HZPDHXFCSA-N 2 2 347.507 3.157 20 0 EGADLP C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843851 221194894 /nfs/dbraw/zinc/19/48/94/221194894.db2.gz OZMMVWJBJJQKHA-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000118843851 221194898 /nfs/dbraw/zinc/19/48/98/221194898.db2.gz OZMMVWJBJJQKHA-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843851 221194899 /nfs/dbraw/zinc/19/48/99/221194899.db2.gz OZMMVWJBJJQKHA-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccc(Cl)cc2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843851 221194903 /nfs/dbraw/zinc/19/49/03/221194903.db2.gz OZMMVWJBJJQKHA-CYBMUJFWSA-N 2 2 334.851 3.164 20 0 EGADLP CCc1noc(C)c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000119512448 221337128 /nfs/dbraw/zinc/33/71/28/221337128.db2.gz FEAGWMYDBSJVME-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1noc(C)c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000119512448 221337131 /nfs/dbraw/zinc/33/71/31/221337131.db2.gz FEAGWMYDBSJVME-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1noc(C)c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000119512448 221337133 /nfs/dbraw/zinc/33/71/33/221337133.db2.gz FEAGWMYDBSJVME-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1noc(C)c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000119512448 221337134 /nfs/dbraw/zinc/33/71/34/221337134.db2.gz FEAGWMYDBSJVME-GOSISDBHSA-N 2 2 327.472 3.499 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@@H+]1C1CC1 ZINC000119687210 221378143 /nfs/dbraw/zinc/37/81/43/221378143.db2.gz XMVAAJCFNWKXGN-HOCLYGCPSA-N 2 2 342.512 3.353 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@H+]1C1CC1 ZINC000119687210 221378145 /nfs/dbraw/zinc/37/81/45/221378145.db2.gz XMVAAJCFNWKXGN-HOCLYGCPSA-N 2 2 342.512 3.353 20 0 EGADLP CCOc1cccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000328656904 258018818 /nfs/dbraw/zinc/01/88/18/258018818.db2.gz ZTZMMFIFFMRNAO-QGZVFWFLSA-N 2 2 345.512 3.462 20 0 EGADLP CCOc1cccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000328656904 258018819 /nfs/dbraw/zinc/01/88/19/258018819.db2.gz ZTZMMFIFFMRNAO-QGZVFWFLSA-N 2 2 345.512 3.462 20 0 EGADLP C[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000237531375 141006418 /nfs/dbraw/zinc/00/64/18/141006418.db2.gz ILIHHKUMZKLTAY-JKSUJKDBSA-N 2 2 340.471 3.075 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1nccs1 ZINC000246535073 141013915 /nfs/dbraw/zinc/01/39/15/141013915.db2.gz VOFQVAKCBKJWTG-LSDHHAIUSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1nccs1 ZINC000246535073 141013916 /nfs/dbraw/zinc/01/39/16/141013916.db2.gz VOFQVAKCBKJWTG-LSDHHAIUSA-N 2 2 331.485 3.215 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338060247 141085440 /nfs/dbraw/zinc/08/54/40/141085440.db2.gz OITWGXJDGOESDF-MJBXVCDLSA-N 2 2 330.407 3.211 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338060247 141085443 /nfs/dbraw/zinc/08/54/43/141085443.db2.gz OITWGXJDGOESDF-MJBXVCDLSA-N 2 2 330.407 3.211 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000339544084 141128371 /nfs/dbraw/zinc/12/83/71/141128371.db2.gz NIUOQHYQPXNHQM-HXUWFJFHSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000339544084 141128372 /nfs/dbraw/zinc/12/83/72/141128372.db2.gz NIUOQHYQPXNHQM-HXUWFJFHSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000339545633 141129314 /nfs/dbraw/zinc/12/93/14/141129314.db2.gz SAKUQRLXISEARE-LJQANCHMSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000339545633 141129315 /nfs/dbraw/zinc/12/93/15/141129315.db2.gz SAKUQRLXISEARE-LJQANCHMSA-N 2 2 344.886 3.157 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000341256615 141144906 /nfs/dbraw/zinc/14/49/06/141144906.db2.gz UDLSRWBSWDPDCX-JXFKEZNVSA-N 2 2 334.467 3.358 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000341256615 141144909 /nfs/dbraw/zinc/14/49/09/141144909.db2.gz UDLSRWBSWDPDCX-JXFKEZNVSA-N 2 2 334.467 3.358 20 0 EGADLP CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978717 141227894 /nfs/dbraw/zinc/22/78/94/141227894.db2.gz ZJSHNSSFAOCQAC-WBVHZDCISA-N 2 2 344.434 3.028 20 0 EGADLP CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978717 141227897 /nfs/dbraw/zinc/22/78/97/141227897.db2.gz ZJSHNSSFAOCQAC-WBVHZDCISA-N 2 2 344.434 3.028 20 0 EGADLP CCCCOc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000352931193 141271047 /nfs/dbraw/zinc/27/10/47/141271047.db2.gz NCEQSDYSJULGMB-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)ccc1OC ZINC000352931193 141271051 /nfs/dbraw/zinc/27/10/51/141271051.db2.gz NCEQSDYSJULGMB-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1OC ZINC000352931193 141271053 /nfs/dbraw/zinc/27/10/53/141271053.db2.gz NCEQSDYSJULGMB-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OC ZINC000352931193 141271055 /nfs/dbraw/zinc/27/10/55/141271055.db2.gz NCEQSDYSJULGMB-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(Sc3ccccn3)o1)CC2 ZINC000352977003 141282085 /nfs/dbraw/zinc/28/20/85/141282085.db2.gz NAFZWWMQTWOZCP-ZDUSSCGKSA-N 2 2 326.425 3.127 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003521 141283563 /nfs/dbraw/zinc/28/35/63/141283563.db2.gz SWWJGDWRMACBHW-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003521 141283564 /nfs/dbraw/zinc/28/35/64/141283564.db2.gz SWWJGDWRMACBHW-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003521 141283565 /nfs/dbraw/zinc/28/35/65/141283565.db2.gz SWWJGDWRMACBHW-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003521 141283566 /nfs/dbraw/zinc/28/35/66/141283566.db2.gz SWWJGDWRMACBHW-AZUAARDMSA-N 2 2 337.467 3.187 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c[nH+]1 ZINC000353458830 141301339 /nfs/dbraw/zinc/30/13/39/141301339.db2.gz LBHOAXIRAVHTEF-RTBURBONSA-N 3 2 345.531 3.144 20 0 EGADLP COC[C@]1(C[NH2+]CCCc2ccc(C)[nH+]c2)OCCc2ccccc21 ZINC000356257192 141329982 /nfs/dbraw/zinc/32/99/82/141329982.db2.gz JXQXOBPSGPQGHL-NRFANRHFSA-N 2 2 340.467 3.027 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592615 141381137 /nfs/dbraw/zinc/38/11/37/141381137.db2.gz NZZLYGDFALFPOE-UYAOXDASSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000359592615 141381140 /nfs/dbraw/zinc/38/11/40/141381140.db2.gz NZZLYGDFALFPOE-UYAOXDASSA-N 3 2 344.547 3.146 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)nnn1-c1ccc(C)cc1 ZINC000359630671 141391314 /nfs/dbraw/zinc/39/13/14/141391314.db2.gz HADSFOPKRNULLM-MRXNPFEDSA-N 2 2 329.492 3.265 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)nnn1-c1ccc(C)cc1 ZINC000359630671 141391320 /nfs/dbraw/zinc/39/13/20/141391320.db2.gz HADSFOPKRNULLM-MRXNPFEDSA-N 2 2 329.492 3.265 20 0 EGADLP CCCCC[C@@H](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929535 144031372 /nfs/dbraw/zinc/03/13/72/144031372.db2.gz XXFABMBUBFUVOO-QGZVFWFLSA-N 2 2 337.552 3.268 20 0 EGADLP OCC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000186481495 144134965 /nfs/dbraw/zinc/13/49/65/144134965.db2.gz HBUNEEKDLNWLCV-UHFFFAOYSA-N 2 2 336.907 3.447 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000186741175 144142158 /nfs/dbraw/zinc/14/21/58/144142158.db2.gz LYLUOXZYDJAJCH-VYDXJSESSA-N 2 2 330.501 3.142 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nccs1 ZINC000186741175 144142160 /nfs/dbraw/zinc/14/21/60/144142160.db2.gz LYLUOXZYDJAJCH-VYDXJSESSA-N 2 2 330.501 3.142 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186879276 144145768 /nfs/dbraw/zinc/14/57/68/144145768.db2.gz XYHVXGFCLMXXRE-PXNSSMCTSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186879276 144145770 /nfs/dbraw/zinc/14/57/70/144145770.db2.gz XYHVXGFCLMXXRE-PXNSSMCTSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344723526 144215499 /nfs/dbraw/zinc/21/54/99/144215499.db2.gz KWJAJWSSBIBESP-UYAOXDASSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344723526 144215500 /nfs/dbraw/zinc/21/55/00/144215500.db2.gz KWJAJWSSBIBESP-UYAOXDASSA-N 3 2 329.532 3.219 20 0 EGADLP Cc1ccccc1-n1nccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351544601 144276872 /nfs/dbraw/zinc/27/68/72/144276872.db2.gz JAPGHFPGMCICMK-UHFFFAOYSA-N 2 2 344.422 3.433 20 0 EGADLP Cc1ccc2cc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)ccc2n1 ZINC000351549678 144277580 /nfs/dbraw/zinc/27/75/80/144277580.db2.gz CSUVLBUQBFYNSC-UHFFFAOYSA-N 2 2 329.407 3.217 20 0 EGADLP Cn1c2ccc(F)cc2[nH+]c1NCc1c[nH+]c2ccc(Cl)cn12 ZINC000361652667 144343636 /nfs/dbraw/zinc/34/36/36/144343636.db2.gz XFLIIWMFBQPFQO-UHFFFAOYSA-N 2 2 329.766 3.048 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)CCC2 ZINC000361665007 144346503 /nfs/dbraw/zinc/34/65/03/144346503.db2.gz SVMVJAUTHIQCCL-WREIHNQOSA-N 2 2 331.485 3.157 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000118842519 152155769 /nfs/dbraw/zinc/15/57/69/152155769.db2.gz QITUMIWXPSGURP-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000118842519 152155774 /nfs/dbraw/zinc/15/57/74/152155774.db2.gz QITUMIWXPSGURP-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP C[NH+](CC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118842519 152155778 /nfs/dbraw/zinc/15/57/78/152155778.db2.gz QITUMIWXPSGURP-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP C[NH+](CC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842519 152155783 /nfs/dbraw/zinc/15/57/83/152155783.db2.gz QITUMIWXPSGURP-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842818 152157247 /nfs/dbraw/zinc/15/72/47/152157247.db2.gz RTQOLOUEXLVXGV-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842818 152157252 /nfs/dbraw/zinc/15/72/52/152157252.db2.gz RTQOLOUEXLVXGV-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP C[NH+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842818 152157261 /nfs/dbraw/zinc/15/72/61/152157261.db2.gz RTQOLOUEXLVXGV-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP C[NH+](Cc1nn(-c2ccccc2)c2c1CCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842818 152157264 /nfs/dbraw/zinc/15/72/64/152157264.db2.gz RTQOLOUEXLVXGV-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000120651577 152290520 /nfs/dbraw/zinc/29/05/20/152290520.db2.gz MTXUPZOZTGHDLF-AWEZNQCLSA-N 2 2 337.423 3.467 20 0 EGADLP FC(F)CN1CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000120831142 152303715 /nfs/dbraw/zinc/30/37/15/152303715.db2.gz YIBBLKMZJVNCLY-GOSISDBHSA-N 2 2 337.458 3.143 20 0 EGADLP CC[C@@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189755694 153095015 /nfs/dbraw/zinc/09/50/15/153095015.db2.gz DIPFUKYNUHDGOI-NZSAHSFTSA-N 2 2 337.552 3.218 20 0 EGADLP CC[C@@H](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189755694 153095019 /nfs/dbraw/zinc/09/50/19/153095019.db2.gz DIPFUKYNUHDGOI-NZSAHSFTSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000191404848 153194122 /nfs/dbraw/zinc/19/41/22/153194122.db2.gz NNQOQCIWWWRHKI-LJQANCHMSA-N 2 2 330.520 3.234 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000191404848 153194125 /nfs/dbraw/zinc/19/41/25/153194125.db2.gz NNQOQCIWWWRHKI-LJQANCHMSA-N 2 2 330.520 3.234 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000191604173 153210352 /nfs/dbraw/zinc/21/03/52/153210352.db2.gz DLXWJNVBSMGZSN-INIZCTEOSA-N 2 2 343.309 3.146 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000191604173 153210355 /nfs/dbraw/zinc/21/03/55/153210355.db2.gz DLXWJNVBSMGZSN-INIZCTEOSA-N 2 2 343.309 3.146 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192925111 153268401 /nfs/dbraw/zinc/26/84/01/153268401.db2.gz OPSOMPKOZBDAFR-QGZVFWFLSA-N 2 2 342.439 3.068 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192925111 153268405 /nfs/dbraw/zinc/26/84/05/153268405.db2.gz OPSOMPKOZBDAFR-QGZVFWFLSA-N 2 2 342.439 3.068 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000193158760 153280541 /nfs/dbraw/zinc/28/05/41/153280541.db2.gz AUISWZYTVULNSC-FXAWDEMLSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000193158760 153280548 /nfs/dbraw/zinc/28/05/48/153280548.db2.gz AUISWZYTVULNSC-FXAWDEMLSA-N 2 2 344.499 3.172 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)c3ccco3)c2cc1C ZINC000303232937 154041448 /nfs/dbraw/zinc/04/14/48/154041448.db2.gz XDRJLPDJBDHOLY-CVEARBPZSA-N 2 2 327.428 3.300 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)c3ccco3)c2cc1C ZINC000303232937 154041451 /nfs/dbraw/zinc/04/14/51/154041451.db2.gz XDRJLPDJBDHOLY-CVEARBPZSA-N 2 2 327.428 3.300 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000305809232 154130352 /nfs/dbraw/zinc/13/03/52/154130352.db2.gz IDUGUYUKAAOMSI-UHFFFAOYSA-N 2 2 336.545 3.466 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000305809232 154130358 /nfs/dbraw/zinc/13/03/58/154130358.db2.gz IDUGUYUKAAOMSI-UHFFFAOYSA-N 2 2 336.545 3.466 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000337378588 154320661 /nfs/dbraw/zinc/32/06/61/154320661.db2.gz XEMNQLBEAZTKQI-SFHVURJKSA-N 2 2 346.519 3.077 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000337378588 154320666 /nfs/dbraw/zinc/32/06/66/154320666.db2.gz XEMNQLBEAZTKQI-SFHVURJKSA-N 2 2 346.519 3.077 20 0 EGADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)n2c1CCCC2 ZINC000337409471 154338452 /nfs/dbraw/zinc/33/84/52/154338452.db2.gz WDEXGUOQQJKAGK-OAHLLOKOSA-N 2 2 335.455 3.475 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000339908174 155026538 /nfs/dbraw/zinc/02/65/38/155026538.db2.gz VJZWUIKRMIWKJS-AWEZNQCLSA-N 2 2 339.361 3.351 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000339908174 155026542 /nfs/dbraw/zinc/02/65/42/155026542.db2.gz VJZWUIKRMIWKJS-AWEZNQCLSA-N 2 2 339.361 3.351 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)[C@@H](C)C1 ZINC000345310383 156049961 /nfs/dbraw/zinc/04/99/61/156049961.db2.gz XAYRTXGZZJRTTL-WDKDSRHDSA-N 2 2 344.503 3.029 20 0 EGADLP CC1(C)OCc2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000346925614 156198974 /nfs/dbraw/zinc/19/89/74/156198974.db2.gz HTVFSWJGWGSHAV-GOSISDBHSA-N 2 2 340.423 3.380 20 0 EGADLP CC1(C)OCc2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)ccc2O1 ZINC000346925614 156198977 /nfs/dbraw/zinc/19/89/77/156198977.db2.gz HTVFSWJGWGSHAV-GOSISDBHSA-N 2 2 340.423 3.380 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1(C)C ZINC000182054673 286537684 /nfs/dbraw/zinc/53/76/84/286537684.db2.gz SBLBLHZWSWLGID-SNRMKQJTSA-N 2 2 331.504 3.400 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347003759 156239698 /nfs/dbraw/zinc/23/96/98/156239698.db2.gz MDDPTCXFZRDKKJ-DOMZBBRYSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000347003759 156239705 /nfs/dbraw/zinc/23/97/05/156239705.db2.gz MDDPTCXFZRDKKJ-DOMZBBRYSA-N 2 2 326.868 3.307 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000352761070 156468934 /nfs/dbraw/zinc/46/89/34/156468934.db2.gz UAFXXZSLMITXFM-MAUKXSAKSA-N 2 2 345.512 3.462 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000358222993 156755785 /nfs/dbraw/zinc/75/57/85/156755785.db2.gz OJDYUCJTANYPPT-INIZCTEOSA-N 2 2 331.423 3.413 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1ccc(C)cc1 ZINC000361973396 156965502 /nfs/dbraw/zinc/96/55/02/156965502.db2.gz WZYVRSJOMRTQHG-VDZJLULYSA-N 2 2 341.503 3.408 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401987 157113255 /nfs/dbraw/zinc/11/32/55/157113255.db2.gz HXHYNGGXTUQXDD-RBUKOAKNSA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401987 157113259 /nfs/dbraw/zinc/11/32/59/157113259.db2.gz HXHYNGGXTUQXDD-RBUKOAKNSA-N 2 2 331.504 3.060 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000365514025 157153187 /nfs/dbraw/zinc/15/31/87/157153187.db2.gz PTUKJQAPIDIVNR-HNNXBMFYSA-N 2 2 331.435 3.413 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000365514025 157153192 /nfs/dbraw/zinc/15/31/92/157153192.db2.gz PTUKJQAPIDIVNR-HNNXBMFYSA-N 2 2 331.435 3.413 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365627945 157196974 /nfs/dbraw/zinc/19/69/74/157196974.db2.gz KWENEGJUNREOLT-CQSZACIVSA-N 2 2 347.846 3.240 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365627945 157196978 /nfs/dbraw/zinc/19/69/78/157196978.db2.gz KWENEGJUNREOLT-CQSZACIVSA-N 2 2 347.846 3.240 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000365658536 157207826 /nfs/dbraw/zinc/20/78/26/157207826.db2.gz DSLOHNNPLGBDEJ-CQSZACIVSA-N 2 2 339.468 3.318 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000365658536 157207829 /nfs/dbraw/zinc/20/78/29/157207829.db2.gz DSLOHNNPLGBDEJ-CQSZACIVSA-N 2 2 339.468 3.318 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368684671 157263487 /nfs/dbraw/zinc/26/34/87/157263487.db2.gz WMFMEMGOJLQWKI-SFHVURJKSA-N 2 2 341.846 3.478 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000114199025 162224513 /nfs/dbraw/zinc/22/45/13/162224513.db2.gz HCNHDCJPKSKIBO-PXNSSMCTSA-N 2 2 337.467 3.250 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000114199025 162224515 /nfs/dbraw/zinc/22/45/15/162224515.db2.gz HCNHDCJPKSKIBO-PXNSSMCTSA-N 2 2 337.467 3.250 20 0 EGADLP OCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc21 ZINC000114467256 162234045 /nfs/dbraw/zinc/23/40/45/162234045.db2.gz PLUHSPWEXMQWBY-NRFANRHFSA-N 2 2 333.435 3.354 20 0 EGADLP OCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCc2ccccc21 ZINC000114467256 162234048 /nfs/dbraw/zinc/23/40/48/162234048.db2.gz PLUHSPWEXMQWBY-NRFANRHFSA-N 2 2 333.435 3.354 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000125216135 162267614 /nfs/dbraw/zinc/26/76/14/162267614.db2.gz DUFGLUIZHVWCFX-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2OC(F)F)CC1 ZINC000125216135 162267616 /nfs/dbraw/zinc/26/76/16/162267616.db2.gz DUFGLUIZHVWCFX-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000125219087 162267684 /nfs/dbraw/zinc/26/76/84/162267684.db2.gz IABTWIGBPQLNTC-UHFFFAOYSA-N 2 2 334.414 3.271 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000125219087 162267686 /nfs/dbraw/zinc/26/76/86/162267686.db2.gz IABTWIGBPQLNTC-UHFFFAOYSA-N 2 2 334.414 3.271 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125539002 162277188 /nfs/dbraw/zinc/27/71/88/162277188.db2.gz JSXCKHXFCBXELL-NRFANRHFSA-N 3 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000125539002 162277190 /nfs/dbraw/zinc/27/71/90/162277190.db2.gz JSXCKHXFCBXELL-NRFANRHFSA-N 3 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000125539002 162277191 /nfs/dbraw/zinc/27/71/91/162277191.db2.gz JSXCKHXFCBXELL-NRFANRHFSA-N 3 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000125539002 162277195 /nfs/dbraw/zinc/27/71/95/162277195.db2.gz JSXCKHXFCBXELL-NRFANRHFSA-N 3 2 340.515 3.426 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCCO2 ZINC000126589054 162307231 /nfs/dbraw/zinc/30/72/31/162307231.db2.gz YZHHBFYNAQGOQW-FQEVSTJZSA-N 2 2 346.515 3.460 20 0 EGADLP C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000129286195 162352480 /nfs/dbraw/zinc/35/24/80/162352480.db2.gz SPLRXDMNLGYKML-KRWDZBQOSA-N 2 2 348.450 3.229 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248899190 163044407 /nfs/dbraw/zinc/04/44/07/163044407.db2.gz UZGZQISRSCVGIT-ICSRJNTNSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000248899190 163044409 /nfs/dbraw/zinc/04/44/09/163044409.db2.gz UZGZQISRSCVGIT-ICSRJNTNSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000248899190 163044411 /nfs/dbraw/zinc/04/44/11/163044411.db2.gz UZGZQISRSCVGIT-ICSRJNTNSA-N 2 2 342.531 3.375 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000248899190 163044414 /nfs/dbraw/zinc/04/44/14/163044414.db2.gz UZGZQISRSCVGIT-ICSRJNTNSA-N 2 2 342.531 3.375 20 0 EGADLP Cc1oncc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249089596 163055457 /nfs/dbraw/zinc/05/54/57/163055457.db2.gz CTSCFQPUIXFSJU-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249089596 163055460 /nfs/dbraw/zinc/05/54/60/163055460.db2.gz CTSCFQPUIXFSJU-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249089596 163055464 /nfs/dbraw/zinc/05/54/64/163055464.db2.gz CTSCFQPUIXFSJU-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249089596 163055467 /nfs/dbraw/zinc/05/54/67/163055467.db2.gz CTSCFQPUIXFSJU-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000305161554 163076199 /nfs/dbraw/zinc/07/61/99/163076199.db2.gz XDQMMYJLAYLKPC-RKDXNWHRSA-N 2 2 325.667 3.220 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccn1 ZINC000338332297 163214711 /nfs/dbraw/zinc/21/47/11/163214711.db2.gz JFSDBUBTDDLXBV-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccn1 ZINC000338332297 163214714 /nfs/dbraw/zinc/21/47/14/163214714.db2.gz JFSDBUBTDDLXBV-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP Cc1cccc(OC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000341510708 163713821 /nfs/dbraw/zinc/71/38/21/163713821.db2.gz NOHVEFVSMAZAJT-GOSISDBHSA-N 2 2 339.483 3.412 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1C ZINC000354830033 166042708 /nfs/dbraw/zinc/04/27/08/166042708.db2.gz XOXJIZSEWXPXSS-SFHVURJKSA-N 2 2 347.503 3.176 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306457 164366993 /nfs/dbraw/zinc/36/69/93/164366993.db2.gz DSCPYPKZXQVNDR-QFBILLFUSA-N 2 2 338.455 3.185 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306457 164366994 /nfs/dbraw/zinc/36/69/94/164366994.db2.gz DSCPYPKZXQVNDR-QFBILLFUSA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306457 164366996 /nfs/dbraw/zinc/36/69/96/164366996.db2.gz DSCPYPKZXQVNDR-QFBILLFUSA-N 2 2 338.455 3.185 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)nn3)CC[C@H]21 ZINC000346306457 164366998 /nfs/dbraw/zinc/36/69/98/164366998.db2.gz DSCPYPKZXQVNDR-QFBILLFUSA-N 2 2 338.455 3.185 20 0 EGADLP COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346327800 164369546 /nfs/dbraw/zinc/36/95/46/164369546.db2.gz IQJLHJXSFVMRBE-PMACEKPBSA-N 2 2 342.483 3.481 20 0 EGADLP COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346327800 164369547 /nfs/dbraw/zinc/36/95/47/164369547.db2.gz IQJLHJXSFVMRBE-PMACEKPBSA-N 2 2 342.483 3.481 20 0 EGADLP C[NH+](C)CCOc1cc(CNc2[nH+]ccc3ccc(F)cc32)ccn1 ZINC000354872882 166052875 /nfs/dbraw/zinc/05/28/75/166052875.db2.gz CSOSCERBYGMCDW-UHFFFAOYSA-N 2 2 340.402 3.321 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@]3([NH+](C)C)CCC[C@@H](C)C3)cc2n1C ZINC000354972865 166076815 /nfs/dbraw/zinc/07/68/15/166076815.db2.gz ARWQKOKHARAUQA-VLIAUNLRSA-N 2 2 342.487 3.122 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000350750367 165070264 /nfs/dbraw/zinc/07/02/64/165070264.db2.gz VHQDVEFWADJECK-MRXNPFEDSA-N 2 2 340.462 3.092 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000350750367 165070266 /nfs/dbraw/zinc/07/02/66/165070266.db2.gz VHQDVEFWADJECK-MRXNPFEDSA-N 2 2 340.462 3.092 20 0 EGADLP C[C@H]1CCC[C@@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940842 165084725 /nfs/dbraw/zinc/08/47/25/165084725.db2.gz NCLCPKWGXBFQCK-RBUKOAKNSA-N 3 2 330.520 3.010 20 0 EGADLP O=C(NCCC[NH+]1CCCC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351916842 165149164 /nfs/dbraw/zinc/14/91/64/165149164.db2.gz IFXAOOPPTBDSDI-UHFFFAOYSA-N 2 2 340.427 3.481 20 0 EGADLP CC[C@@H](C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)[NH+](CC)CC ZINC000352145961 165258432 /nfs/dbraw/zinc/25/84/32/165258432.db2.gz HRUWYSCMOPCCRY-INIZCTEOSA-N 2 2 348.878 3.262 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000352172855 165268344 /nfs/dbraw/zinc/26/83/44/165268344.db2.gz XLCWDLRRTJWBLY-SFHVURJKSA-N 2 2 346.519 3.101 20 0 EGADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000352256398 165313829 /nfs/dbraw/zinc/31/38/29/165313829.db2.gz IOTMXTGXDWXUEJ-UHFFFAOYSA-N 2 2 328.456 3.316 20 0 EGADLP COc1cccc(OC)c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000352256398 165313833 /nfs/dbraw/zinc/31/38/33/165313833.db2.gz IOTMXTGXDWXUEJ-UHFFFAOYSA-N 2 2 328.456 3.316 20 0 EGADLP CC(C)n1nccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352429412 165397341 /nfs/dbraw/zinc/39/73/41/165397341.db2.gz BBZGESGSWLDJBZ-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352429412 165397344 /nfs/dbraw/zinc/39/73/44/165397344.db2.gz BBZGESGSWLDJBZ-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352429412 165397346 /nfs/dbraw/zinc/39/73/46/165397346.db2.gz BBZGESGSWLDJBZ-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1nccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352429412 165397348 /nfs/dbraw/zinc/39/73/48/165397348.db2.gz BBZGESGSWLDJBZ-VQTJNVASSA-N 2 2 338.499 3.418 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000355367364 166176852 /nfs/dbraw/zinc/17/68/52/166176852.db2.gz OWQDKBRGNBHFJZ-INIZCTEOSA-N 2 2 343.471 3.282 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000355367364 166176854 /nfs/dbraw/zinc/17/68/54/166176854.db2.gz OWQDKBRGNBHFJZ-INIZCTEOSA-N 2 2 343.471 3.282 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000359068675 167057390 /nfs/dbraw/zinc/05/73/90/167057390.db2.gz VYGFZABXDQUJBI-WOJBJXKFSA-N 2 2 340.467 3.204 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000359068675 167057392 /nfs/dbraw/zinc/05/73/92/167057392.db2.gz VYGFZABXDQUJBI-WOJBJXKFSA-N 2 2 340.467 3.204 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000359403761 167146469 /nfs/dbraw/zinc/14/64/69/167146469.db2.gz HQTWJYWXKIVPIS-BBRMVZONSA-N 2 2 328.859 3.488 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000359783365 167230800 /nfs/dbraw/zinc/23/08/00/167230800.db2.gz HGNXGQSRNMLMRS-INIZCTEOSA-N 2 2 328.460 3.031 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000359783365 167230803 /nfs/dbraw/zinc/23/08/03/167230803.db2.gz HGNXGQSRNMLMRS-INIZCTEOSA-N 2 2 328.460 3.031 20 0 EGADLP CC1(C)CCC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000360517054 167346530 /nfs/dbraw/zinc/34/65/30/167346530.db2.gz JEGNDUWRMQCBCH-UHFFFAOYSA-N 2 2 346.515 3.456 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552316 167356026 /nfs/dbraw/zinc/35/60/26/167356026.db2.gz NTIKMTATAXJRJN-VGOFRKELSA-N 2 2 349.478 3.366 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552316 167356029 /nfs/dbraw/zinc/35/60/29/167356029.db2.gz NTIKMTATAXJRJN-VGOFRKELSA-N 2 2 349.478 3.366 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000366921944 168157408 /nfs/dbraw/zinc/15/74/08/168157408.db2.gz LGSUDXWQPVITBW-AWEZNQCLSA-N 2 2 339.361 3.351 20 0 EGADLP Fc1ccc(N2CCC([NH2+]Cc3c[nH+]c4n3CCCC4)CC2)c(F)c1 ZINC000367438598 168226350 /nfs/dbraw/zinc/22/63/50/168226350.db2.gz OEMNVBKHXQCIPL-UHFFFAOYSA-N 2 2 346.425 3.256 20 0 EGADLP Fc1ccc(/C=C/C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000367524527 168236406 /nfs/dbraw/zinc/23/64/06/168236406.db2.gz QWWLABOULCSQDI-OWOJBTEDSA-N 2 2 326.350 3.349 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000122039168 222000936 /nfs/dbraw/zinc/00/09/36/222000936.db2.gz QNMGFKCCZCXTRC-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000122039168 222000940 /nfs/dbraw/zinc/00/09/40/222000940.db2.gz QNMGFKCCZCXTRC-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCc3cccs3)c2cc1C ZINC000174156756 265027804 /nfs/dbraw/zinc/02/78/04/265027804.db2.gz GIQUJMIFKGLXGD-INIZCTEOSA-N 2 2 343.496 3.250 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCc3cccs3)c2cc1C ZINC000174156756 265027807 /nfs/dbraw/zinc/02/78/07/265027807.db2.gz GIQUJMIFKGLXGD-INIZCTEOSA-N 2 2 343.496 3.250 20 0 EGADLP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000177357954 265248952 /nfs/dbraw/zinc/24/89/52/265248952.db2.gz ZOKKCWANAYENAK-DYESRHJHSA-N 2 2 342.458 3.473 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177484435 265256282 /nfs/dbraw/zinc/25/62/82/265256282.db2.gz AANWGFDWMLAQHZ-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000178331484 265308710 /nfs/dbraw/zinc/30/87/10/265308710.db2.gz HBFKZBMVAOOVJI-UWVAXJGDSA-N 2 2 334.504 3.134 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000178331484 265308717 /nfs/dbraw/zinc/30/87/17/265308717.db2.gz HBFKZBMVAOOVJI-UWVAXJGDSA-N 2 2 334.504 3.134 20 0 EGADLP c1ccc([C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)cc1 ZINC000193937877 266075926 /nfs/dbraw/zinc/07/59/26/266075926.db2.gz JZMFCMVGPAJBOD-YSTOQKLRSA-N 2 2 326.484 3.371 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194362298 266110914 /nfs/dbraw/zinc/11/09/14/266110914.db2.gz IDXVOABIAHPBRI-HUUCEWRRSA-N 2 2 341.952 3.392 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000271716331 266711653 /nfs/dbraw/zinc/71/16/53/266711653.db2.gz CGIDZGNFNXLFFB-HXUWFJFHSA-N 2 2 330.472 3.145 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C2CCN(c3nccs3)CC2)[NH+](C)C)cc1 ZINC000272634962 266885690 /nfs/dbraw/zinc/88/56/90/266885690.db2.gz BAMFVMJFWCMPMO-SFHVURJKSA-N 2 2 344.528 3.313 20 0 EGADLP CCC[NH+](CCC)CCCc1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000273634240 267072754 /nfs/dbraw/zinc/07/27/54/267072754.db2.gz BAMYQHCSMJVNRA-UHFFFAOYSA-N 2 2 341.459 3.363 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Br)ncc1F ZINC000273842993 267123085 /nfs/dbraw/zinc/12/30/85/267123085.db2.gz IFTLDARVVZHPFN-JTQLQIEISA-N 2 2 342.256 3.261 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000274277091 267210982 /nfs/dbraw/zinc/21/09/82/267210982.db2.gz TXCNBEYBHZBNNS-IBGZPJMESA-N 2 2 335.407 3.494 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)n1-c1ccccc1 ZINC000276712571 267609620 /nfs/dbraw/zinc/60/96/20/267609620.db2.gz QIHRPGHFEOQDLQ-SFHVURJKSA-N 2 2 339.414 3.013 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156488978 274203061 /nfs/dbraw/zinc/20/30/61/274203061.db2.gz ISCFOIMGFQQAPQ-ZQIUZPCESA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156488978 274203062 /nfs/dbraw/zinc/20/30/62/274203062.db2.gz ISCFOIMGFQQAPQ-ZQIUZPCESA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000342459613 274213186 /nfs/dbraw/zinc/21/31/86/274213186.db2.gz VAGFLOKFSHDVLD-AWEZNQCLSA-N 2 2 340.393 3.056 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000342459613 274213187 /nfs/dbraw/zinc/21/31/87/274213187.db2.gz VAGFLOKFSHDVLD-AWEZNQCLSA-N 2 2 340.393 3.056 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)c(C)n2n1 ZINC000371451912 274730380 /nfs/dbraw/zinc/73/03/80/274730380.db2.gz TWMGQSARGADMBR-GOEBONIOSA-N 2 2 338.459 3.079 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)c(C)n2n1 ZINC000371451911 274730627 /nfs/dbraw/zinc/73/06/27/274730627.db2.gz TWMGQSARGADMBR-GDBMZVCRSA-N 2 2 338.459 3.079 20 0 EGADLP O[C@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000090914091 275153731 /nfs/dbraw/zinc/15/37/31/275153731.db2.gz IDBGOLIHWICPQM-RZUBCFFCSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@H]1C[C@H](C[NH2+][C@@H]2CCCc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000090914091 275153732 /nfs/dbraw/zinc/15/37/32/275153732.db2.gz IDBGOLIHWICPQM-RZUBCFFCSA-N 2 2 336.479 3.289 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000192179196 275223640 /nfs/dbraw/zinc/22/36/40/275223640.db2.gz XEMCAVMJFACQJE-IBGZPJMESA-N 2 2 340.471 3.095 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cnn1C(C)(C)C ZINC000278901379 275285976 /nfs/dbraw/zinc/28/59/76/275285976.db2.gz FSHRWRXGVLXLAK-JOQOYGCGSA-N 2 2 345.491 3.251 20 0 EGADLP OC[C@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000279617096 275344353 /nfs/dbraw/zinc/34/43/53/275344353.db2.gz AJCVKPAHYBGPDG-IBGZPJMESA-N 2 2 336.907 3.445 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cn1 ZINC000279932907 275377850 /nfs/dbraw/zinc/37/78/50/275377850.db2.gz ATVHCGVLNXXILL-CYBMUJFWSA-N 2 2 326.282 3.371 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000281455783 275551053 /nfs/dbraw/zinc/55/10/53/275551053.db2.gz DMMWZWQXYIRSNS-ZIFCJYIRSA-N 2 2 333.545 3.443 20 0 EGADLP COCCn1c2ccccc2[nH+]c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000284037833 275769631 /nfs/dbraw/zinc/76/96/31/275769631.db2.gz SCWCLRCXWMIVST-UHFFFAOYSA-N 2 2 335.411 3.251 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000286958584 276063159 /nfs/dbraw/zinc/06/31/59/276063159.db2.gz APIUFRDVEXYOMM-UHFFFAOYSA-N 2 2 344.434 3.433 20 0 EGADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2c(C)cc[nH+]c2C)cc1 ZINC000287545183 276131323 /nfs/dbraw/zinc/13/13/23/276131323.db2.gz OLNUULSGCCAZDU-KRWDZBQOSA-N 2 2 342.443 3.131 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1F ZINC000287603153 276138398 /nfs/dbraw/zinc/13/83/98/276138398.db2.gz IRNPRBUXHYGOCQ-MRXNPFEDSA-N 2 2 326.843 3.383 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@@H+]1C ZINC000287700766 276148626 /nfs/dbraw/zinc/14/86/26/276148626.db2.gz XDAWMSWODFVXDT-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccncc2OCc2ccccc2)CC[N@H+]1C ZINC000287700766 276148627 /nfs/dbraw/zinc/14/86/27/276148627.db2.gz XDAWMSWODFVXDT-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000287735507 276152054 /nfs/dbraw/zinc/15/20/54/276152054.db2.gz PJBSSRRKQFPNFQ-IKGGRYGDSA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000287735507 276152056 /nfs/dbraw/zinc/15/20/56/276152056.db2.gz PJBSSRRKQFPNFQ-IKGGRYGDSA-N 2 2 342.405 3.351 20 0 EGADLP CCCCC[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369726081 276228865 /nfs/dbraw/zinc/22/88/65/276228865.db2.gz CYDWBEFLQPJKAZ-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369726081 276228866 /nfs/dbraw/zinc/22/88/66/276228866.db2.gz CYDWBEFLQPJKAZ-PKOBYXMFSA-N 2 2 337.552 3.220 20 0 EGADLP COc1ccc(CC[NH2+]CCCc2c[nH+]ccc2C)c(OC)c1OC ZINC000289313937 276320515 /nfs/dbraw/zinc/32/05/15/276320515.db2.gz SKMPBVLOLYMRQL-UHFFFAOYSA-N 2 2 344.455 3.181 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000289414113 276335270 /nfs/dbraw/zinc/33/52/70/276335270.db2.gz PSCTTZGGAKMIRV-GOSISDBHSA-N 2 2 330.403 3.106 20 0 EGADLP C[N@H+](Cc1cc2c(cc1Cl)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289578020 276360585 /nfs/dbraw/zinc/36/05/85/276360585.db2.gz YWTMVVVKAZWTDZ-YIONKMFJSA-N 2 2 336.863 3.168 20 0 EGADLP C[N@@H+](Cc1cc2c(cc1Cl)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289578020 276360586 /nfs/dbraw/zinc/36/05/86/276360586.db2.gz YWTMVVVKAZWTDZ-YIONKMFJSA-N 2 2 336.863 3.168 20 0 EGADLP C[NH+](Cc1cc2c(cc1Cl)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289578020 276360587 /nfs/dbraw/zinc/36/05/87/276360587.db2.gz YWTMVVVKAZWTDZ-YIONKMFJSA-N 2 2 336.863 3.168 20 0 EGADLP C[NH+](Cc1cc2c(cc1Cl)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289578020 276360589 /nfs/dbraw/zinc/36/05/89/276360589.db2.gz YWTMVVVKAZWTDZ-YIONKMFJSA-N 2 2 336.863 3.168 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]CCCc3c[nH+]ccc3C)n2)c1 ZINC000289589554 276362553 /nfs/dbraw/zinc/36/25/53/276362553.db2.gz IKXINAHPKQWPQP-OAHLLOKOSA-N 2 2 336.443 3.162 20 0 EGADLP OC[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC000289802979 276397581 /nfs/dbraw/zinc/39/75/81/276397581.db2.gz LBCHWBGDAIBEEK-LEWJYISDSA-N 2 2 333.435 3.128 20 0 EGADLP Fc1ccc(OCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000291093221 276588102 /nfs/dbraw/zinc/58/81/02/276588102.db2.gz PVIIBTBFAZGVNZ-UHFFFAOYSA-N 2 2 334.357 3.211 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198293 277069250 /nfs/dbraw/zinc/06/92/50/277069250.db2.gz XUPCONUKYLFKDI-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198293 277069252 /nfs/dbraw/zinc/06/92/52/277069252.db2.gz XUPCONUKYLFKDI-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198293 277069253 /nfs/dbraw/zinc/06/92/53/277069253.db2.gz XUPCONUKYLFKDI-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198293 277069255 /nfs/dbraw/zinc/06/92/55/277069255.db2.gz XUPCONUKYLFKDI-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000093564052 277376944 /nfs/dbraw/zinc/37/69/44/277376944.db2.gz ORELLSFPRDLYME-KRWDZBQOSA-N 2 2 348.487 3.163 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000093564052 277376946 /nfs/dbraw/zinc/37/69/46/277376946.db2.gz ORELLSFPRDLYME-KRWDZBQOSA-N 2 2 348.487 3.163 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348272080 281208979 /nfs/dbraw/zinc/20/89/79/281208979.db2.gz XPRBJZDMXIQSIV-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348272080 281208981 /nfs/dbraw/zinc/20/89/81/281208981.db2.gz XPRBJZDMXIQSIV-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348272080 281208985 /nfs/dbraw/zinc/20/89/85/281208985.db2.gz XPRBJZDMXIQSIV-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348272080 281208989 /nfs/dbraw/zinc/20/89/89/281208989.db2.gz XPRBJZDMXIQSIV-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982926 290027527 /nfs/dbraw/zinc/02/75/27/290027527.db2.gz SBDSHAPUZVIEFP-FHSNZYRGSA-N 2 2 327.472 3.050 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982926 290027528 /nfs/dbraw/zinc/02/75/28/290027528.db2.gz SBDSHAPUZVIEFP-FHSNZYRGSA-N 2 2 327.472 3.050 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)nc(=O)c2c1C ZINC000342138901 294083405 /nfs/dbraw/zinc/08/34/05/294083405.db2.gz SHCNPZYISHOFGB-DOERSZECSA-N 2 2 346.500 3.134 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)nc(=O)c2c1C ZINC000342138901 294083411 /nfs/dbraw/zinc/08/34/11/294083411.db2.gz SHCNPZYISHOFGB-DOERSZECSA-N 2 2 346.500 3.134 20 0 EGADLP C[NH+](C)CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000058297318 307348285 /nfs/dbraw/zinc/34/82/85/307348285.db2.gz YGLUBCIRIRFOLW-UHFFFAOYSA-N 2 2 348.450 3.140 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718375 307381674 /nfs/dbraw/zinc/38/16/74/307381674.db2.gz XLDBQKNVNKOLGM-HZPDHXFCSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718375 307381675 /nfs/dbraw/zinc/38/16/75/307381675.db2.gz XLDBQKNVNKOLGM-HZPDHXFCSA-N 2 2 349.906 3.475 20 0 EGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414083142 309059971 /nfs/dbraw/zinc/05/99/71/309059971.db2.gz VUTZJRMBVVENJQ-CYBMUJFWSA-N 2 2 347.484 3.232 20 0 EGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414083142 309059972 /nfs/dbraw/zinc/05/99/72/309059972.db2.gz VUTZJRMBVVENJQ-CYBMUJFWSA-N 2 2 347.484 3.232 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414141632 309063250 /nfs/dbraw/zinc/06/32/50/309063250.db2.gz RGPJBMRBKMJDNC-FUHIMQAGSA-N 2 2 339.483 3.131 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000414141632 309063251 /nfs/dbraw/zinc/06/32/51/309063251.db2.gz RGPJBMRBKMJDNC-FUHIMQAGSA-N 2 2 339.483 3.131 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000185678560 533696722 /nfs/dbraw/zinc/69/67/22/533696722.db2.gz SUUQXIRISUFLML-FOIQADDNSA-N 2 2 328.456 3.485 20 0 EGADLP CCn1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000414209404 309066840 /nfs/dbraw/zinc/06/68/40/309066840.db2.gz NGRKBYZQTVTFAC-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP Cc1occc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000414285776 309070725 /nfs/dbraw/zinc/07/07/25/309070725.db2.gz IIGZPJCWYSVIDI-UHFFFAOYSA-N 2 2 341.499 3.276 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248737715 308010334 /nfs/dbraw/zinc/01/03/34/308010334.db2.gz OUSLPBQLONEYBT-ZGXWSNOMSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000248737715 308010335 /nfs/dbraw/zinc/01/03/35/308010335.db2.gz OUSLPBQLONEYBT-ZGXWSNOMSA-N 2 2 326.484 3.198 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416196 309078757 /nfs/dbraw/zinc/07/87/57/309078757.db2.gz WEARJEJFMJXUPX-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nn1 ZINC000414416196 309078758 /nfs/dbraw/zinc/07/87/58/309078758.db2.gz WEARJEJFMJXUPX-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000414416196 309078759 /nfs/dbraw/zinc/07/87/59/309078759.db2.gz WEARJEJFMJXUPX-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nn1 ZINC000414416196 309078760 /nfs/dbraw/zinc/07/87/60/309078760.db2.gz WEARJEJFMJXUPX-TZIWHRDSSA-N 2 2 336.483 3.272 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnc(Br)c2)CC1 ZINC000293014787 308090488 /nfs/dbraw/zinc/09/04/88/308090488.db2.gz HTRXFLHGRQGZKF-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292923579 308080417 /nfs/dbraw/zinc/08/04/17/308080417.db2.gz ILFUZUVGSYTYDM-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292923579 308080419 /nfs/dbraw/zinc/08/04/19/308080419.db2.gz ILFUZUVGSYTYDM-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292923579 308080421 /nfs/dbraw/zinc/08/04/21/308080421.db2.gz ILFUZUVGSYTYDM-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292923579 308080422 /nfs/dbraw/zinc/08/04/22/308080422.db2.gz ILFUZUVGSYTYDM-HNAYVOBHSA-N 2 2 349.906 3.393 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccnc(Br)c2)CC1 ZINC000293014787 308090486 /nfs/dbraw/zinc/09/04/86/308090486.db2.gz HTRXFLHGRQGZKF-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047072 308093820 /nfs/dbraw/zinc/09/38/20/308093820.db2.gz SUJSVMUAHGZHTD-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047072 308093822 /nfs/dbraw/zinc/09/38/22/308093822.db2.gz SUJSVMUAHGZHTD-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000293047072 308093824 /nfs/dbraw/zinc/09/38/24/308093824.db2.gz SUJSVMUAHGZHTD-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000293047072 308093826 /nfs/dbraw/zinc/09/38/26/308093826.db2.gz SUJSVMUAHGZHTD-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087767 308098321 /nfs/dbraw/zinc/09/83/21/308098321.db2.gz WSZUXBBHGRUGHE-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087767 308098322 /nfs/dbraw/zinc/09/83/22/308098322.db2.gz WSZUXBBHGRUGHE-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293087767 308098323 /nfs/dbraw/zinc/09/83/23/308098323.db2.gz WSZUXBBHGRUGHE-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087767 308098324 /nfs/dbraw/zinc/09/83/24/308098324.db2.gz WSZUXBBHGRUGHE-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CC(C)[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094974 308099196 /nfs/dbraw/zinc/09/91/96/308099196.db2.gz KRIAGOPFWLYKPO-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094974 308099197 /nfs/dbraw/zinc/09/91/97/308099197.db2.gz KRIAGOPFWLYKPO-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094974 308099198 /nfs/dbraw/zinc/09/91/98/308099198.db2.gz KRIAGOPFWLYKPO-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCO1 ZINC000293094974 308099199 /nfs/dbraw/zinc/09/91/99/308099199.db2.gz KRIAGOPFWLYKPO-RTWAWAEBSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225615 308111383 /nfs/dbraw/zinc/11/13/83/308111383.db2.gz AORPUBCEYCNGTM-YJBOKZPZSA-N 2 2 345.466 3.277 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293225615 308111385 /nfs/dbraw/zinc/11/13/85/308111385.db2.gz AORPUBCEYCNGTM-YJBOKZPZSA-N 2 2 345.466 3.277 20 0 EGADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000293595438 308145202 /nfs/dbraw/zinc/14/52/02/308145202.db2.gz ONUPNVSDAHAUAN-OALUTQOASA-N 2 2 330.497 3.029 20 0 EGADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000293595438 308145204 /nfs/dbraw/zinc/14/52/04/308145204.db2.gz ONUPNVSDAHAUAN-OALUTQOASA-N 2 2 330.497 3.029 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600389 308145535 /nfs/dbraw/zinc/14/55/35/308145535.db2.gz JDHCRALVTKQFKR-IBGZPJMESA-N 2 2 346.425 3.273 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600389 308145536 /nfs/dbraw/zinc/14/55/36/308145536.db2.gz JDHCRALVTKQFKR-IBGZPJMESA-N 2 2 346.425 3.273 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600389 308145537 /nfs/dbraw/zinc/14/55/37/308145537.db2.gz JDHCRALVTKQFKR-IBGZPJMESA-N 2 2 346.425 3.273 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600389 308145538 /nfs/dbraw/zinc/14/55/38/308145538.db2.gz JDHCRALVTKQFKR-IBGZPJMESA-N 2 2 346.425 3.273 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000293880432 308170456 /nfs/dbraw/zinc/17/04/56/308170456.db2.gz VKQTUHOUUHNIOH-JPXCIIHESA-N 2 2 343.515 3.076 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000293880432 308170458 /nfs/dbraw/zinc/17/04/58/308170458.db2.gz VKQTUHOUUHNIOH-JPXCIIHESA-N 2 2 343.515 3.076 20 0 EGADLP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882919 308170766 /nfs/dbraw/zinc/17/07/66/308170766.db2.gz VNADLHUCIVLWCK-HOCLYGCPSA-N 2 2 333.505 3.057 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882919 308170768 /nfs/dbraw/zinc/17/07/68/308170768.db2.gz VNADLHUCIVLWCK-HOCLYGCPSA-N 2 2 333.505 3.057 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000294070060 308187552 /nfs/dbraw/zinc/18/75/52/308187552.db2.gz KOKAXAZLXUFSKU-GOSISDBHSA-N 2 2 331.504 3.058 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000294070060 308187553 /nfs/dbraw/zinc/18/75/53/308187553.db2.gz KOKAXAZLXUFSKU-GOSISDBHSA-N 2 2 331.504 3.058 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3COc3ccccc3)cn2)c[nH+]1 ZINC000295073255 308287846 /nfs/dbraw/zinc/28/78/46/308287846.db2.gz PNAJMKBTPICCDZ-SFHVURJKSA-N 2 2 334.423 3.311 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3COc3ccccc3)cn2)c[nH+]1 ZINC000295073255 308287848 /nfs/dbraw/zinc/28/78/48/308287848.db2.gz PNAJMKBTPICCDZ-SFHVURJKSA-N 2 2 334.423 3.311 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000295107980 308292013 /nfs/dbraw/zinc/29/20/13/308292013.db2.gz UQHPZRPCHXVFIE-UHFFFAOYSA-N 2 2 336.361 3.254 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295143350 308296429 /nfs/dbraw/zinc/29/64/29/308296429.db2.gz QFCXJHFTABMEGO-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295143350 308296431 /nfs/dbraw/zinc/29/64/31/308296431.db2.gz QFCXJHFTABMEGO-RHSMWYFYSA-N 2 2 344.421 3.073 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766612 309099591 /nfs/dbraw/zinc/09/95/91/309099591.db2.gz HZOMHSFIXNZUHT-OCCSQVGLSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766612 309099592 /nfs/dbraw/zinc/09/95/92/309099592.db2.gz HZOMHSFIXNZUHT-OCCSQVGLSA-N 2 2 346.393 3.196 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414769899 309099795 /nfs/dbraw/zinc/09/97/95/309099795.db2.gz ODEVZDFVVUYBME-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000414769899 309099796 /nfs/dbraw/zinc/09/97/96/309099796.db2.gz ODEVZDFVVUYBME-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414797952 309102062 /nfs/dbraw/zinc/10/20/62/309102062.db2.gz PWFGOIATHDWQKG-GOSISDBHSA-N 2 2 334.895 3.275 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414801604 309102411 /nfs/dbraw/zinc/10/24/11/309102411.db2.gz UMRRYYSTWIBSKA-GOSISDBHSA-N 2 2 334.895 3.275 20 0 EGADLP C[NH2+]CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC000414824333 309103923 /nfs/dbraw/zinc/10/39/23/309103923.db2.gz KBHZZEBOKCYWBM-UHFFFAOYSA-N 2 2 334.467 3.216 20 0 EGADLP Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)c2cccc(F)c2[nH+]1 ZINC000301638997 308708472 /nfs/dbraw/zinc/70/84/72/308708472.db2.gz ATGXSSCYAVWWSP-HNNXBMFYSA-N 2 2 331.435 3.187 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C1CCCCC1 ZINC000414839647 309104790 /nfs/dbraw/zinc/10/47/90/309104790.db2.gz LSWJOOGFFQXYRD-LJQANCHMSA-N 2 2 330.451 3.068 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CCN(c2cccc[nH+]2)CC1 ZINC000302729638 308743435 /nfs/dbraw/zinc/74/34/35/308743435.db2.gz UVTLMEOZYVIWSZ-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000334079111 308875760 /nfs/dbraw/zinc/87/57/60/308875760.db2.gz NXQPEFZPLZVDKV-HZPDHXFCSA-N 2 2 349.523 3.116 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414851336 309105435 /nfs/dbraw/zinc/10/54/35/309105435.db2.gz JASBLFJHPHFTRV-RDJZCZTQSA-N 3 2 335.923 3.282 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414870072 309106429 /nfs/dbraw/zinc/10/64/29/309106429.db2.gz RZDXQXQKKPRMFE-INIZCTEOSA-N 2 2 332.879 3.043 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000414880769 309107021 /nfs/dbraw/zinc/10/70/21/309107021.db2.gz KCWDJLGDWINZMC-UNMCSNQZSA-N 2 2 347.462 3.479 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000414884414 309107185 /nfs/dbraw/zinc/10/71/85/309107185.db2.gz OANCWFAYALGXSF-NHCUHLMSSA-N 2 2 340.467 3.329 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414892390 309107752 /nfs/dbraw/zinc/10/77/52/309107752.db2.gz WZFVDXAQEFVKHT-JKSUJKDBSA-N 2 2 330.394 3.167 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414899728 309108164 /nfs/dbraw/zinc/10/81/64/309108164.db2.gz VDIWFKRZSYZIEV-CQSZACIVSA-N 2 2 327.266 3.065 20 0 EGADLP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000414921347 309109505 /nfs/dbraw/zinc/10/95/05/309109505.db2.gz DLGITBWDNICZTF-NRFANRHFSA-N 2 2 336.483 3.295 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCC[NH2+]1 ZINC000414945305 309110535 /nfs/dbraw/zinc/11/05/35/309110535.db2.gz PYSHJTKANXATMY-NRFANRHFSA-N 2 2 340.467 3.124 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414949414 309110998 /nfs/dbraw/zinc/11/09/98/309110998.db2.gz DXFQATYSLHZJCE-QFBILLFUSA-N 2 2 348.441 3.286 20 0 EGADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000414973030 309112390 /nfs/dbraw/zinc/11/23/90/309112390.db2.gz BLTBMHKQGHJMFY-CQSZACIVSA-N 2 2 331.847 3.419 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000414977847 309112449 /nfs/dbraw/zinc/11/24/49/309112449.db2.gz SEYXLAQCUOWBMF-MRXNPFEDSA-N 2 2 331.485 3.200 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC(F)F ZINC000415057744 309117195 /nfs/dbraw/zinc/11/71/95/309117195.db2.gz URIHMYBVQQJLGE-JKSUJKDBSA-N 2 2 348.393 3.142 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415180081 309125071 /nfs/dbraw/zinc/12/50/71/309125071.db2.gz FBVIZFINRVBKTH-GJZGRUSLSA-N 2 2 340.427 3.465 20 0 EGADLP C[C@@](C[NH3+])(NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000415184399 309125188 /nfs/dbraw/zinc/12/51/88/309125188.db2.gz KFGZHVKUFZLOHO-SFHVURJKSA-N 2 2 326.400 3.123 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(OC4CCC4)CC3)sc2C1 ZINC000418088180 309234917 /nfs/dbraw/zinc/23/49/17/309234917.db2.gz FZJLDNOTKUCYJJ-UHFFFAOYSA-N 2 2 349.544 3.443 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(OC4CCC4)CC3)sc2C1 ZINC000418088180 309234918 /nfs/dbraw/zinc/23/49/18/309234918.db2.gz FZJLDNOTKUCYJJ-UHFFFAOYSA-N 2 2 349.544 3.443 20 0 EGADLP Cc1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298276 309280107 /nfs/dbraw/zinc/28/01/07/309280107.db2.gz ZUUNBKPMBDMMQX-SFHVURJKSA-N 2 2 330.863 3.322 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[NH2+]CC2([NH3+])CCC2)on1 ZINC000420312532 309281301 /nfs/dbraw/zinc/28/13/01/309281301.db2.gz SGMLAICWUWDAPD-UHFFFAOYSA-N 2 2 337.423 3.474 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420313946 309281448 /nfs/dbraw/zinc/28/14/48/309281448.db2.gz KLLFSFLLUXLCLO-NWDGAFQWSA-N 2 2 335.423 3.130 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000420313946 309281449 /nfs/dbraw/zinc/28/14/49/309281449.db2.gz KLLFSFLLUXLCLO-NWDGAFQWSA-N 2 2 335.423 3.130 20 0 EGADLP CC(C)n1ncnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420318673 309281825 /nfs/dbraw/zinc/28/18/25/309281825.db2.gz WITLSCGNEVIUIK-RTBURBONSA-N 2 2 341.503 3.031 20 0 EGADLP CC(C)n1ncnc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420318673 309281826 /nfs/dbraw/zinc/28/18/26/309281826.db2.gz WITLSCGNEVIUIK-RTBURBONSA-N 2 2 341.503 3.031 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000420325810 309282423 /nfs/dbraw/zinc/28/24/23/309282423.db2.gz BVELAJLEUDSWLQ-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000420325810 309282424 /nfs/dbraw/zinc/28/24/24/309282424.db2.gz BVELAJLEUDSWLQ-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420347341 309283682 /nfs/dbraw/zinc/28/36/82/309283682.db2.gz YCDCIUMEDCVUAZ-JBACZVJFSA-N 2 2 349.478 3.359 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420347341 309283683 /nfs/dbraw/zinc/28/36/83/309283683.db2.gz YCDCIUMEDCVUAZ-JBACZVJFSA-N 2 2 349.478 3.359 20 0 EGADLP CC(C)(C)c1ccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420362984 309284367 /nfs/dbraw/zinc/28/43/67/309284367.db2.gz OPPUJUFVXCHHNT-GOSISDBHSA-N 2 2 331.504 3.420 20 0 EGADLP CN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H]1CCCc2ccccc21 ZINC000420365046 309284373 /nfs/dbraw/zinc/28/43/73/309284373.db2.gz RSKVPCLVWACIER-PMACEKPBSA-N 2 2 343.515 3.020 20 0 EGADLP CC(C)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCCc2cccnc21 ZINC000420372145 309284752 /nfs/dbraw/zinc/28/47/52/309284752.db2.gz LDXMDGIKGDUKCB-HNNXBMFYSA-N 2 2 343.475 3.194 20 0 EGADLP CC(C)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCCc2cccnc21 ZINC000420372145 309284753 /nfs/dbraw/zinc/28/47/53/309284753.db2.gz LDXMDGIKGDUKCB-HNNXBMFYSA-N 2 2 343.475 3.194 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378043 309285247 /nfs/dbraw/zinc/28/52/47/309285247.db2.gz BAJPRZJSWICVII-VQIMIIECSA-N 2 2 329.488 3.213 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378043 309285248 /nfs/dbraw/zinc/28/52/48/309285248.db2.gz BAJPRZJSWICVII-VQIMIIECSA-N 2 2 329.488 3.213 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000420385779 309285688 /nfs/dbraw/zinc/28/56/88/309285688.db2.gz FHYQJMJFWPZOPV-CRAIPNDOSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000420385779 309285689 /nfs/dbraw/zinc/28/56/89/309285689.db2.gz FHYQJMJFWPZOPV-CRAIPNDOSA-N 2 2 329.419 3.445 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420414091 309287209 /nfs/dbraw/zinc/28/72/09/309287209.db2.gz UJBSSHILAFNNGK-VKJFTORMSA-N 2 2 331.504 3.055 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420414091 309287210 /nfs/dbraw/zinc/28/72/10/309287210.db2.gz UJBSSHILAFNNGK-VKJFTORMSA-N 2 2 331.504 3.055 20 0 EGADLP CC[C@](C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420945217 309303118 /nfs/dbraw/zinc/30/31/18/309303118.db2.gz YREFCYUZBZQDMC-IBGZPJMESA-N 2 2 345.512 3.390 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)cncc1F ZINC000420966445 309304819 /nfs/dbraw/zinc/30/48/19/309304819.db2.gz QUEMEECUJIBUAS-AWEZNQCLSA-N 2 2 347.409 3.043 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358985 309320239 /nfs/dbraw/zinc/32/02/39/309320239.db2.gz DUNLGSJEIBEZKG-CABCVRRESA-N 2 2 329.444 3.277 20 0 EGADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000421358985 309320240 /nfs/dbraw/zinc/32/02/40/309320240.db2.gz DUNLGSJEIBEZKG-CABCVRRESA-N 2 2 329.444 3.277 20 0 EGADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCc4cccnc4CC3)cc2)c[nH+]1 ZINC000421821579 309341387 /nfs/dbraw/zinc/34/13/87/309341387.db2.gz SDEYXXZWGBDTMU-HXUWFJFHSA-N 2 2 332.451 3.364 20 0 EGADLP COC1([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849909 309343281 /nfs/dbraw/zinc/34/32/81/309343281.db2.gz CPTVLIAJSDBGPN-ICSRJNTNSA-N 2 2 346.515 3.215 20 0 EGADLP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000421849909 309343282 /nfs/dbraw/zinc/34/32/82/309343282.db2.gz CPTVLIAJSDBGPN-ICSRJNTNSA-N 2 2 346.515 3.215 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)CC1 ZINC000422017656 309351202 /nfs/dbraw/zinc/35/12/02/309351202.db2.gz JOHXOCMAWVCBED-GUDVDZBRSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](C)[C@H](C)C3)CC2)CC1 ZINC000422017656 309351203 /nfs/dbraw/zinc/35/12/03/309351203.db2.gz JOHXOCMAWVCBED-GUDVDZBRSA-N 2 2 349.563 3.077 20 0 EGADLP CCC[C@](C)(CC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023522 309351622 /nfs/dbraw/zinc/35/16/22/309351622.db2.gz PPYITMPMSGMFHH-FQEVSTJZSA-N 2 2 337.552 3.221 20 0 EGADLP CCC[C@](C)(CC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023522 309351623 /nfs/dbraw/zinc/35/16/23/309351623.db2.gz PPYITMPMSGMFHH-FQEVSTJZSA-N 2 2 337.552 3.221 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccco1 ZINC000422148496 309355707 /nfs/dbraw/zinc/35/57/07/309355707.db2.gz ADTWJSHQPWZJRI-KRWDZBQOSA-N 2 2 344.459 3.174 20 0 EGADLP CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1OC(F)F ZINC000422695897 309363654 /nfs/dbraw/zinc/36/36/54/309363654.db2.gz QLFZCJCBDRVLLP-GXTWGEPZSA-N 2 2 328.403 3.307 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422709366 309364281 /nfs/dbraw/zinc/36/42/81/309364281.db2.gz YZUXCJRNKAYZPG-CJNGLKHVSA-N 2 2 342.405 3.094 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422714818 309364338 /nfs/dbraw/zinc/36/43/38/309364338.db2.gz ROCWZCVLRYSQSN-BEFAXECRSA-N 2 2 329.488 3.436 20 0 EGADLP c1cn(-c2cccc(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)c[nH+]1 ZINC000422739869 309366081 /nfs/dbraw/zinc/36/60/81/309366081.db2.gz ANZSIJGOJAEKNB-TZIWHRDSSA-N 3 2 332.451 3.455 20 0 EGADLP CC[C@@H](NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422838559 309371109 /nfs/dbraw/zinc/37/11/09/309371109.db2.gz XMHDYUHPUMHRHO-MOPGFXCFSA-N 2 2 326.488 3.136 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422868663 309372964 /nfs/dbraw/zinc/37/29/64/309372964.db2.gz VHMFYQZNRRLWMK-RBUKOAKNSA-N 2 2 326.440 3.255 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000422872995 309373098 /nfs/dbraw/zinc/37/30/98/309373098.db2.gz JKVCOJQBXBPLIK-OXFYSEKESA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000422872995 309373099 /nfs/dbraw/zinc/37/30/99/309373099.db2.gz JKVCOJQBXBPLIK-OXFYSEKESA-N 3 2 338.499 3.162 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422874765 309373263 /nfs/dbraw/zinc/37/32/63/309373263.db2.gz BATUDQTVVXOFQP-KGLIPLIRSA-N 2 2 327.266 3.078 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921951 309376196 /nfs/dbraw/zinc/37/61/96/309376196.db2.gz RHYMYRUKEUZEEC-MLGOLLRUSA-N 2 2 338.373 3.475 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942839 309377399 /nfs/dbraw/zinc/37/73/99/309377399.db2.gz QGNMRBOCGCNYQG-WMQCIHAUSA-N 3 2 329.532 3.047 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942839 309377400 /nfs/dbraw/zinc/37/74/00/309377400.db2.gz QGNMRBOCGCNYQG-WMQCIHAUSA-N 3 2 329.532 3.047 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000423042535 309382592 /nfs/dbraw/zinc/38/25/92/309382592.db2.gz LDYGFDDTJIUCGL-GDZNZVCISA-N 2 2 325.859 3.178 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000423046907 309382869 /nfs/dbraw/zinc/38/28/69/309382869.db2.gz FITOCZCBYHQIOY-DKICVRJWSA-N 3 2 326.488 3.191 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051001 309383177 /nfs/dbraw/zinc/38/31/77/309383177.db2.gz MRXDBBBEEFBJQO-NEPJUHHUSA-N 2 2 348.082 3.181 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423061014 309383797 /nfs/dbraw/zinc/38/37/97/309383797.db2.gz JPXTXYIAZKMWOH-ZBFHGGJFSA-N 2 2 338.442 3.133 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423080458 309384805 /nfs/dbraw/zinc/38/48/05/309384805.db2.gz AGXHBHXZQPXERZ-KXBFYZLASA-N 2 2 326.488 3.227 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2cccc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423087364 309385320 /nfs/dbraw/zinc/38/53/20/309385320.db2.gz PHXSFJOTKWGFJR-PMACEKPBSA-N 2 2 325.456 3.024 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(=O)N1c2ccccc2C[C@@H]1C ZINC000423153547 309388457 /nfs/dbraw/zinc/38/84/57/309388457.db2.gz HSPZYDDXHLKEDN-KODHJQJWSA-N 2 2 335.451 3.087 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229412 309391325 /nfs/dbraw/zinc/39/13/25/309391325.db2.gz BGERQRMXHKITKX-GXTWGEPZSA-N 2 2 325.250 3.004 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCCCC1 ZINC000423264302 309392960 /nfs/dbraw/zinc/39/29/60/309392960.db2.gz PUTJQNWSHNKWOI-YSFYHYPLSA-N 3 2 341.543 3.394 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CCCCC1 ZINC000423264302 309392961 /nfs/dbraw/zinc/39/29/61/309392961.db2.gz PUTJQNWSHNKWOI-YSFYHYPLSA-N 3 2 341.543 3.394 20 0 EGADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423318947 309395018 /nfs/dbraw/zinc/39/50/18/309395018.db2.gz LEZWEFVHLHTANC-PELKAZGASA-N 2 2 336.329 3.277 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000423332484 309395525 /nfs/dbraw/zinc/39/55/25/309395525.db2.gz NMIXLOAFZMKSGH-HNNXBMFYSA-N 2 2 349.475 3.152 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2cncc(C)c2)cc1 ZINC000423337439 309395955 /nfs/dbraw/zinc/39/59/55/309395955.db2.gz QZOKJBBTFKKQKZ-RYGJVYDSSA-N 2 2 325.456 3.195 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(Br)c1 ZINC000423367113 309397290 /nfs/dbraw/zinc/39/72/90/309397290.db2.gz CYENMYZAHXZCEV-GRYCIOLGSA-N 2 2 327.266 3.249 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc(OC)c1OC ZINC000423382976 309398011 /nfs/dbraw/zinc/39/80/11/309398011.db2.gz IZKOCVFATIVERE-SUMWQHHRSA-N 2 2 336.476 3.141 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(-n2cncn2)cc1Cl ZINC000423394878 309398475 /nfs/dbraw/zinc/39/84/75/309398475.db2.gz SHLSKSXBIDRHFT-DYVFJYSZSA-N 2 2 347.894 3.350 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)CCC[NH2+]1 ZINC000423413820 309399238 /nfs/dbraw/zinc/39/92/38/309399238.db2.gz BBBAGCJICNDGSW-SUMWQHHRSA-N 2 2 344.471 3.463 20 0 EGADLP Clc1ccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000423514588 309404051 /nfs/dbraw/zinc/40/40/51/309404051.db2.gz DJASWBILMAOWKG-RTBURBONSA-N 2 2 330.859 3.202 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000423532715 309405348 /nfs/dbraw/zinc/40/53/48/309405348.db2.gz RPLWQOQBKFUREP-GBESFXJTSA-N 2 2 338.451 3.254 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@H](C)C2CC[NH2+]CC2)[nH+]1 ZINC000423776641 309412160 /nfs/dbraw/zinc/41/21/60/309412160.db2.gz QTBHUABLQQMNKA-ZDUSSCGKSA-N 2 2 326.444 3.349 20 0 EGADLP CCC(CC)(C[NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423837851 309415774 /nfs/dbraw/zinc/41/57/74/309415774.db2.gz GVJDYQHUUICOIJ-UHFFFAOYSA-N 2 2 338.455 3.305 20 0 EGADLP CC(C)(CC[NH3+])NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000424043692 309427044 /nfs/dbraw/zinc/42/70/44/309427044.db2.gz BZEUOFBEQCLIKV-UHFFFAOYSA-N 2 2 333.819 3.385 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCc2c1c(Br)ccc2F)C[NH+](C)C ZINC000425944440 309495447 /nfs/dbraw/zinc/49/54/47/309495447.db2.gz MZXSNXKWASWMAU-HZMBPMFUSA-N 2 2 329.257 3.363 20 0 EGADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)oc2c1 ZINC000426035936 309498155 /nfs/dbraw/zinc/49/81/55/309498155.db2.gz OGCCIDVVOSPJQH-FUHWJXTLSA-N 2 2 330.472 3.485 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1Br ZINC000427890285 309537721 /nfs/dbraw/zinc/53/77/21/309537721.db2.gz ISUWDIGOSABAIY-PWSUYJOCSA-N 2 2 338.224 3.450 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C)[nH+]1 ZINC000436494272 309757257 /nfs/dbraw/zinc/75/72/57/309757257.db2.gz NEZHXGPNQAXFKG-AWEZNQCLSA-N 2 2 332.473 3.493 20 0 EGADLP CCCC[C@@H](CC)C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000448210823 310000284 /nfs/dbraw/zinc/00/02/84/310000284.db2.gz ACKFDUBUOCBSFQ-IAGOWNOFSA-N 2 2 346.519 3.107 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027162 310030629 /nfs/dbraw/zinc/03/06/29/310030629.db2.gz HTVVFRUYYDEQML-QFBILLFUSA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027162 310030630 /nfs/dbraw/zinc/03/06/30/310030630.db2.gz HTVVFRUYYDEQML-QFBILLFUSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027162 310030631 /nfs/dbraw/zinc/03/06/31/310030631.db2.gz HTVVFRUYYDEQML-QFBILLFUSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@@H]1C ZINC000449027162 310030632 /nfs/dbraw/zinc/03/06/32/310030632.db2.gz HTVVFRUYYDEQML-QFBILLFUSA-N 2 2 342.487 3.186 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037639 310031955 /nfs/dbraw/zinc/03/19/55/310031955.db2.gz NRGLUKAUPUQGEF-IBGZPJMESA-N 2 2 344.499 3.402 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037639 310031956 /nfs/dbraw/zinc/03/19/56/310031956.db2.gz NRGLUKAUPUQGEF-IBGZPJMESA-N 2 2 344.499 3.402 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037639 310031957 /nfs/dbraw/zinc/03/19/57/310031957.db2.gz NRGLUKAUPUQGEF-IBGZPJMESA-N 2 2 344.499 3.402 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037639 310031958 /nfs/dbraw/zinc/03/19/58/310031958.db2.gz NRGLUKAUPUQGEF-IBGZPJMESA-N 2 2 344.499 3.402 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449112271 310038009 /nfs/dbraw/zinc/03/80/09/310038009.db2.gz QFFSMBPGWIOOGN-MSOLQXFVSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000449112271 310038010 /nfs/dbraw/zinc/03/80/10/310038010.db2.gz QFFSMBPGWIOOGN-MSOLQXFVSA-N 2 2 335.536 3.022 20 0 EGADLP COc1cccc2c(C[NH2+]C[C@@]3([NH+](C)C)CCSC3)cccc12 ZINC000449175348 310042277 /nfs/dbraw/zinc/04/22/77/310042277.db2.gz JUSAKPNTTPCUDT-IBGZPJMESA-N 2 2 330.497 3.375 20 0 EGADLP CC(C)CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000449323785 310053686 /nfs/dbraw/zinc/05/36/86/310053686.db2.gz XAXWXEISKCACLE-XIBWBMNSSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000449323785 310053687 /nfs/dbraw/zinc/05/36/87/310053687.db2.gz XAXWXEISKCACLE-XIBWBMNSSA-N 2 2 349.563 3.265 20 0 EGADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000449337157 310054657 /nfs/dbraw/zinc/05/46/57/310054657.db2.gz ADTCLKQEQVYBIQ-BXUZGUMPSA-N 2 2 331.803 3.321 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394856 310058396 /nfs/dbraw/zinc/05/83/96/310058396.db2.gz HFXSPPQNUOPDHN-CBBWQLFWSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394856 310058397 /nfs/dbraw/zinc/05/83/97/310058397.db2.gz HFXSPPQNUOPDHN-CBBWQLFWSA-N 2 2 342.936 3.330 20 0 EGADLP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCO1 ZINC000449489513 310066315 /nfs/dbraw/zinc/06/63/15/310066315.db2.gz AFUKCULKOUTZIG-XLIONFOSSA-N 2 2 331.504 3.087 20 0 EGADLP COc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450345425 310116929 /nfs/dbraw/zinc/11/69/29/310116929.db2.gz FRSFOMGTIWATSI-FQEVSTJZSA-N 2 2 345.531 3.076 20 0 EGADLP COc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450345425 310116930 /nfs/dbraw/zinc/11/69/30/310116930.db2.gz FRSFOMGTIWATSI-FQEVSTJZSA-N 2 2 345.531 3.076 20 0 EGADLP CCc1cc(CCC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)on1 ZINC000450791014 310142730 /nfs/dbraw/zinc/14/27/30/310142730.db2.gz LMQCAHIGYCIQEP-PXNSSMCTSA-N 2 2 342.487 3.189 20 0 EGADLP CCc1cc(CCC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)on1 ZINC000450791014 310142731 /nfs/dbraw/zinc/14/27/31/310142731.db2.gz LMQCAHIGYCIQEP-PXNSSMCTSA-N 2 2 342.487 3.189 20 0 EGADLP CCc1cc(CCC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)on1 ZINC000450791014 310142732 /nfs/dbraw/zinc/14/27/32/310142732.db2.gz LMQCAHIGYCIQEP-PXNSSMCTSA-N 2 2 342.487 3.189 20 0 EGADLP CCc1cc(CCC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)on1 ZINC000450791014 310142733 /nfs/dbraw/zinc/14/27/33/310142733.db2.gz LMQCAHIGYCIQEP-PXNSSMCTSA-N 2 2 342.487 3.189 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833628 310144835 /nfs/dbraw/zinc/14/48/35/310144835.db2.gz KLZSVKBCBYHYLQ-RTWAWAEBSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833628 310144836 /nfs/dbraw/zinc/14/48/36/310144836.db2.gz KLZSVKBCBYHYLQ-RTWAWAEBSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833628 310144837 /nfs/dbraw/zinc/14/48/37/310144837.db2.gz KLZSVKBCBYHYLQ-RTWAWAEBSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833628 310144838 /nfs/dbraw/zinc/14/48/38/310144838.db2.gz KLZSVKBCBYHYLQ-RTWAWAEBSA-N 2 2 330.516 3.319 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000451022643 310156050 /nfs/dbraw/zinc/15/60/50/310156050.db2.gz DBRZLDGJWWXASR-CQSZACIVSA-N 2 2 344.484 3.135 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000451022643 310156051 /nfs/dbraw/zinc/15/60/51/310156051.db2.gz DBRZLDGJWWXASR-CQSZACIVSA-N 2 2 344.484 3.135 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646044 310191136 /nfs/dbraw/zinc/19/11/36/310191136.db2.gz CZIQRKXMXHUDQH-PMACEKPBSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646044 310191137 /nfs/dbraw/zinc/19/11/37/310191137.db2.gz CZIQRKXMXHUDQH-PMACEKPBSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646044 310191138 /nfs/dbraw/zinc/19/11/38/310191138.db2.gz CZIQRKXMXHUDQH-PMACEKPBSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646044 310191139 /nfs/dbraw/zinc/19/11/39/310191139.db2.gz CZIQRKXMXHUDQH-PMACEKPBSA-N 2 2 346.540 3.105 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918853 310203844 /nfs/dbraw/zinc/20/38/44/310203844.db2.gz YWXLPNHXRNYPIW-JKSUJKDBSA-N 2 2 331.287 3.275 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918853 310203845 /nfs/dbraw/zinc/20/38/45/310203845.db2.gz YWXLPNHXRNYPIW-JKSUJKDBSA-N 2 2 331.287 3.275 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092980 310257395 /nfs/dbraw/zinc/25/73/95/310257395.db2.gz ROWWQUXBWNTVFX-HLLBOEOZSA-N 2 2 330.501 3.452 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453118982 310259211 /nfs/dbraw/zinc/25/92/11/310259211.db2.gz VPFJIMJLUHRHJX-QGZVFWFLSA-N 2 2 333.520 3.272 20 0 EGADLP C[C@H](CCCc1cccnc1)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000453125309 310259547 /nfs/dbraw/zinc/25/95/47/310259547.db2.gz OMFDIEGQRSCFKV-GOSISDBHSA-N 2 2 337.511 3.482 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCCO1 ZINC000453196674 310263624 /nfs/dbraw/zinc/26/36/24/310263624.db2.gz DXKMMFGQMSSQDV-SZMVWBNQSA-N 2 2 345.874 3.231 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264414 310267760 /nfs/dbraw/zinc/26/77/60/310267760.db2.gz MWKJMSSVDRDXJY-WBVHZDCISA-N 2 2 340.895 3.236 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264414 310267761 /nfs/dbraw/zinc/26/77/61/310267761.db2.gz MWKJMSSVDRDXJY-WBVHZDCISA-N 2 2 340.895 3.236 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)s1 ZINC000453571260 310282317 /nfs/dbraw/zinc/28/23/17/310282317.db2.gz BVWNZTWNPIOSRN-OAHLLOKOSA-N 2 2 339.530 3.116 20 0 EGADLP Cc1cc(Br)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000453618498 310284916 /nfs/dbraw/zinc/28/49/16/310284916.db2.gz ZCGCWDUIQNBUFT-JTQLQIEISA-N 2 2 326.263 3.120 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)NCc2c[nH+]c(C)cc2C)[NH+](C)C)cc1 ZINC000454459028 310310798 /nfs/dbraw/zinc/31/07/98/310310798.db2.gz PQHZMLAEWPHYPS-LJQANCHMSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455470900 310362162 /nfs/dbraw/zinc/36/21/62/310362162.db2.gz AWCSVFWYKDCIGL-QGZVFWFLSA-N 2 2 332.492 3.496 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000455470900 310362163 /nfs/dbraw/zinc/36/21/63/310362163.db2.gz AWCSVFWYKDCIGL-QGZVFWFLSA-N 2 2 332.492 3.496 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000459089774 310533354 /nfs/dbraw/zinc/53/33/54/310533354.db2.gz YXPQBGMZBNKSBG-MJGOQNOKSA-N 2 2 346.519 3.398 20 0 EGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000474365376 310791565 /nfs/dbraw/zinc/79/15/65/310791565.db2.gz AKROEYFIYGOXET-MOPGFXCFSA-N 2 2 336.907 3.370 20 0 EGADLP CCc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000474365379 310791630 /nfs/dbraw/zinc/79/16/30/310791630.db2.gz AKROEYFIYGOXET-RTBURBONSA-N 2 2 336.907 3.370 20 0 EGADLP Cc1ccc(-n2c[nH+]c3c2CCN(CCC[NH+]2CCCCC2)C3)cc1 ZINC000488001082 311047120 /nfs/dbraw/zinc/04/71/20/311047120.db2.gz IEUXAZGPLAUWSN-UHFFFAOYSA-N 2 2 338.499 3.415 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+](C)C)cc1 ZINC000488116367 311051870 /nfs/dbraw/zinc/05/18/70/311051870.db2.gz IIUSVUKNECTQMM-IYWMVGAKSA-N 2 2 328.500 3.399 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCCO2 ZINC000489605543 311114001 /nfs/dbraw/zinc/11/40/01/311114001.db2.gz PEAQXCCMFXFCBE-IEBWSBKVSA-N 2 2 332.488 3.070 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000492168756 311223404 /nfs/dbraw/zinc/22/34/04/311223404.db2.gz KPSFYGPDVQTVBA-JXMROGBWSA-N 2 2 326.444 3.407 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000492315772 311236985 /nfs/dbraw/zinc/23/69/85/311236985.db2.gz CKJUXUOREVNTMS-KVPUOBJLSA-N 2 2 349.438 3.288 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492455815 311253053 /nfs/dbraw/zinc/25/30/53/311253053.db2.gz KFYLLPUNQATNGG-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000492455815 311253055 /nfs/dbraw/zinc/25/30/55/311253055.db2.gz KFYLLPUNQATNGG-KRWDZBQOSA-N 2 2 333.476 3.264 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000492810289 311294176 /nfs/dbraw/zinc/29/41/76/311294176.db2.gz HXLFLHZYZFCPFE-IWAYRVGRSA-N 2 2 344.846 3.030 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493124308 311331036 /nfs/dbraw/zinc/33/10/36/311331036.db2.gz WLXCFGQBHFZKGH-ZBTGYSDGSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493124308 311331037 /nfs/dbraw/zinc/33/10/37/311331037.db2.gz WLXCFGQBHFZKGH-ZBTGYSDGSA-N 2 2 338.455 3.114 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)Cc2ccccc2C1 ZINC000493893537 311443683 /nfs/dbraw/zinc/44/36/83/311443683.db2.gz HCHHGVAMNVZZBM-VAMGGRTRSA-N 2 2 340.511 3.023 20 0 EGADLP C[N@H+](CCCOc1cccc(C(C)(C)C)c1)C1CC[NH+](CCO)CC1 ZINC000511601589 312164167 /nfs/dbraw/zinc/16/41/67/312164167.db2.gz UGLRIJBGLXXIPK-UHFFFAOYSA-N 2 2 348.531 3.142 20 0 EGADLP C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)C1CC[NH+](CCO)CC1 ZINC000511601589 312164168 /nfs/dbraw/zinc/16/41/68/312164168.db2.gz UGLRIJBGLXXIPK-UHFFFAOYSA-N 2 2 348.531 3.142 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000512307592 312182676 /nfs/dbraw/zinc/18/26/76/312182676.db2.gz BAZXIHJNKNHNPA-DFQSSKMNSA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000512307592 312182678 /nfs/dbraw/zinc/18/26/78/312182678.db2.gz BAZXIHJNKNHNPA-DFQSSKMNSA-N 2 2 349.563 3.077 20 0 EGADLP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc3c(cc[nH+]c3N(C)C)c1)CC2 ZINC000515305940 312275461 /nfs/dbraw/zinc/27/54/61/312275461.db2.gz MKHUMPUZTNYCOI-OAHLLOKOSA-N 2 2 349.438 3.007 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3CCC[C@H]3C3CC3)c12 ZINC000516014809 312305889 /nfs/dbraw/zinc/30/58/89/312305889.db2.gz PTUNWHDTEWDZIR-HOCLYGCPSA-N 2 2 334.427 3.449 20 0 EGADLP Cc1cc(CNc2nc(C)[nH+]c3c2CCCC3)cc(N2CCCC2)[nH+]1 ZINC000517636857 312386384 /nfs/dbraw/zinc/38/63/84/312386384.db2.gz RQYXWVXVLGQGGP-UHFFFAOYSA-N 2 2 337.471 3.001 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000521266838 312539228 /nfs/dbraw/zinc/53/92/28/312539228.db2.gz HUQAELGRGHNHJB-WFASDCNBSA-N 2 2 334.851 3.037 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383424 313079524 /nfs/dbraw/zinc/07/95/24/313079524.db2.gz VXUJMHCPLQWVOB-RTBURBONSA-N 2 2 345.462 3.479 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383424 313079527 /nfs/dbraw/zinc/07/95/27/313079527.db2.gz VXUJMHCPLQWVOB-RTBURBONSA-N 2 2 345.462 3.479 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528679091 313145599 /nfs/dbraw/zinc/14/55/99/313145599.db2.gz HDQZHBYVHCOGBI-KRWDZBQOSA-N 2 2 338.411 3.280 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529377 313344691 /nfs/dbraw/zinc/34/46/91/313344691.db2.gz KTNZZBGVIJDOJZ-CYBMUJFWSA-N 2 2 330.394 3.488 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529377 313344695 /nfs/dbraw/zinc/34/46/95/313344695.db2.gz KTNZZBGVIJDOJZ-CYBMUJFWSA-N 2 2 330.394 3.488 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529377 313344697 /nfs/dbraw/zinc/34/46/97/313344697.db2.gz KTNZZBGVIJDOJZ-CYBMUJFWSA-N 2 2 330.394 3.488 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(F)(F)F)c2)C1 ZINC000529529377 313344700 /nfs/dbraw/zinc/34/47/00/313344700.db2.gz KTNZZBGVIJDOJZ-CYBMUJFWSA-N 2 2 330.394 3.488 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(F)ccc(F)c1Cl ZINC000529564504 313356206 /nfs/dbraw/zinc/35/62/06/313356206.db2.gz DFEPTBYTYYFTQU-UHFFFAOYSA-N 2 2 345.865 3.076 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(F)ccc(F)c1Cl ZINC000529564504 313356209 /nfs/dbraw/zinc/35/62/09/313356209.db2.gz DFEPTBYTYYFTQU-UHFFFAOYSA-N 2 2 345.865 3.076 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530244947 313504817 /nfs/dbraw/zinc/50/48/17/313504817.db2.gz RGFQAYOUOJLTQU-SFHVURJKSA-N 2 2 346.425 3.142 20 0 EGADLP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000531952616 313735568 /nfs/dbraw/zinc/73/55/68/313735568.db2.gz ZBFBVHFWUAIWEX-HKUYNNGSSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ncc(Br)s1 ZINC000533783197 313933614 /nfs/dbraw/zinc/93/36/14/313933614.db2.gz HLTJCEWCKOLYQC-SNVBAGLBSA-N 2 2 329.267 3.233 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534859538 314002852 /nfs/dbraw/zinc/00/28/52/314002852.db2.gz INCKCEDPYSBZKD-INIZCTEOSA-N 2 2 338.455 3.294 20 0 EGADLP Cc1cc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(C)c[nH+]1 ZINC000535060743 314021998 /nfs/dbraw/zinc/02/19/98/314021998.db2.gz KSFKANMBFRLOGO-UHFFFAOYSA-N 2 2 344.503 3.240 20 0 EGADLP Cc1cc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c(C)c[nH+]1 ZINC000535060743 314022001 /nfs/dbraw/zinc/02/20/01/314022001.db2.gz KSFKANMBFRLOGO-UHFFFAOYSA-N 2 2 344.503 3.240 20 0 EGADLP Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c[nH+]1 ZINC000535772495 314071779 /nfs/dbraw/zinc/07/17/79/314071779.db2.gz FVASBVKMRBPYCY-UHFFFAOYSA-N 2 2 338.455 3.038 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067107 314092585 /nfs/dbraw/zinc/09/25/85/314092585.db2.gz MEFOXVRPZIWAGQ-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067107 314092588 /nfs/dbraw/zinc/09/25/88/314092588.db2.gz MEFOXVRPZIWAGQ-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695389 314139371 /nfs/dbraw/zinc/13/93/71/314139371.db2.gz AKBTUBIOSLBEIO-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695389 314139373 /nfs/dbraw/zinc/13/93/73/314139373.db2.gz AKBTUBIOSLBEIO-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695389 314139376 /nfs/dbraw/zinc/13/93/76/314139376.db2.gz AKBTUBIOSLBEIO-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP COc1cc2c(c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c1)O[C@H](C)C2 ZINC000536695389 314139380 /nfs/dbraw/zinc/13/93/80/314139380.db2.gz AKBTUBIOSLBEIO-WBVHZDCISA-N 2 2 344.499 3.182 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000537296737 314173139 /nfs/dbraw/zinc/17/31/39/314173139.db2.gz WYQLKEZJUUXSJU-JKSUJKDBSA-N 2 2 330.472 3.411 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@H](C)C1 ZINC000537455263 314182292 /nfs/dbraw/zinc/18/22/92/314182292.db2.gz BPROTGPKNGJDFC-MJGOQNOKSA-N 2 2 348.535 3.477 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@H](C)C1 ZINC000537455263 314182294 /nfs/dbraw/zinc/18/22/94/314182294.db2.gz BPROTGPKNGJDFC-MJGOQNOKSA-N 2 2 348.535 3.477 20 0 EGADLP COc1ccc(OC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000539407985 314312295 /nfs/dbraw/zinc/31/22/95/314312295.db2.gz CIKKAACPJWRXQY-UHFFFAOYSA-N 2 2 337.423 3.386 20 0 EGADLP Cc1cc(C)cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000539525553 314319468 /nfs/dbraw/zinc/31/94/68/314319468.db2.gz AYKDKSINHRPABA-UHFFFAOYSA-N 2 2 338.499 3.263 20 0 EGADLP C[C@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000550818607 315135465 /nfs/dbraw/zinc/13/54/65/315135465.db2.gz OLACERPCYWTDHD-MJUUVYJYSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H]1[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)CCC[N@H+]1Cc1ccccc1 ZINC000550818607 315135466 /nfs/dbraw/zinc/13/54/66/315135466.db2.gz OLACERPCYWTDHD-MJUUVYJYSA-N 2 2 330.516 3.428 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)c(C)c1OC ZINC000552223219 315207204 /nfs/dbraw/zinc/20/72/04/315207204.db2.gz GBJQXTQJDBUNRE-HOTGVXAUSA-N 2 2 334.504 3.407 20 0 EGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CC[C@H]3C3CC3)CC2)cc1 ZINC000554049779 315295400 /nfs/dbraw/zinc/29/54/00/315295400.db2.gz BRWGABWBATXZTA-FCHUYYIVSA-N 2 2 341.543 3.363 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)c1 ZINC000554349050 315312084 /nfs/dbraw/zinc/31/20/84/315312084.db2.gz GUENJUBRWPHBJV-NHCUHLMSSA-N 2 2 327.516 3.285 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)c1C ZINC000562280867 315811813 /nfs/dbraw/zinc/81/18/13/315811813.db2.gz KRSLYVRXUIXMFY-UHFFFAOYSA-N 2 2 326.444 3.160 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354671 316004512 /nfs/dbraw/zinc/00/45/12/316004512.db2.gz NSTRVNPYHQZOKF-HZPDHXFCSA-N 2 2 332.410 3.449 20 0 EGADLP CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000563354671 316004516 /nfs/dbraw/zinc/00/45/16/316004516.db2.gz NSTRVNPYHQZOKF-HZPDHXFCSA-N 2 2 332.410 3.449 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)ccn12 ZINC000563392801 316013559 /nfs/dbraw/zinc/01/35/59/316013559.db2.gz ADEADGFHKVUYJQ-UHFFFAOYSA-N 2 2 342.487 3.369 20 0 EGADLP COc1cncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000563539862 316036012 /nfs/dbraw/zinc/03/60/12/316036012.db2.gz YZWKKRSOUANLRH-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000563539862 316036016 /nfs/dbraw/zinc/03/60/16/316036016.db2.gz YZWKKRSOUANLRH-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000563539862 316036017 /nfs/dbraw/zinc/03/60/17/316036017.db2.gz YZWKKRSOUANLRH-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000563539862 316036021 /nfs/dbraw/zinc/03/60/21/316036021.db2.gz YZWKKRSOUANLRH-MRXNPFEDSA-N 2 2 345.512 3.414 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000563880531 316084918 /nfs/dbraw/zinc/08/49/18/316084918.db2.gz RGXXANGBMPWAJS-KUHUBIRLSA-N 2 2 341.430 3.166 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330347 316138469 /nfs/dbraw/zinc/13/84/69/316138469.db2.gz HFJQJNMZGLSHRX-APWZRJJASA-N 2 2 348.450 3.497 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000564330347 316138470 /nfs/dbraw/zinc/13/84/70/316138470.db2.gz HFJQJNMZGLSHRX-APWZRJJASA-N 2 2 348.450 3.497 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000125286318 454811797 /nfs/dbraw/zinc/81/17/97/454811797.db2.gz WDKGHXWQVPPQFF-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000125286318 454811802 /nfs/dbraw/zinc/81/18/02/454811802.db2.gz WDKGHXWQVPPQFF-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000569622448 316939925 /nfs/dbraw/zinc/93/99/25/316939925.db2.gz IWFYIHAFBUYIHI-HZPDHXFCSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000570154816 317014816 /nfs/dbraw/zinc/01/48/16/317014816.db2.gz FTLRAZHUHHNBOX-DYESRHJHSA-N 2 2 335.451 3.186 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000570276009 317032014 /nfs/dbraw/zinc/03/20/14/317032014.db2.gz ZSXPHKNEJPPNOU-UHFFFAOYSA-N 3 2 344.890 3.490 20 0 EGADLP Clc1cccc(-n2ccnc2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000570276009 317032016 /nfs/dbraw/zinc/03/20/16/317032016.db2.gz ZSXPHKNEJPPNOU-UHFFFAOYSA-N 2 2 344.890 3.490 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462596 317059403 /nfs/dbraw/zinc/05/94/03/317059403.db2.gz IOKDSEUDDKSQQV-CRAIPNDOSA-N 2 2 336.439 3.223 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462596 317059407 /nfs/dbraw/zinc/05/94/07/317059407.db2.gz IOKDSEUDDKSQQV-CRAIPNDOSA-N 2 2 336.439 3.223 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222101 317167743 /nfs/dbraw/zinc/16/77/43/317167743.db2.gz XRRPQSHJLRHLCL-JXFKEZNVSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222101 317167747 /nfs/dbraw/zinc/16/77/47/317167747.db2.gz XRRPQSHJLRHLCL-JXFKEZNVSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000571312768 317182587 /nfs/dbraw/zinc/18/25/87/317182587.db2.gz AAYORDDFEYJVQV-ZRGWGRIASA-N 2 2 338.455 3.125 20 0 EGADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH]c1C ZINC000572135639 317297212 /nfs/dbraw/zinc/29/72/12/317297212.db2.gz HINGWJWDIMYUAQ-QVDMIQRCSA-N 2 2 326.488 3.273 20 0 EGADLP Cc1nc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH]c1C ZINC000572135639 317297214 /nfs/dbraw/zinc/29/72/14/317297214.db2.gz HINGWJWDIMYUAQ-QVDMIQRCSA-N 2 2 326.488 3.273 20 0 EGADLP Cc1[nH]c(CN[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000572135639 317297217 /nfs/dbraw/zinc/29/72/17/317297217.db2.gz HINGWJWDIMYUAQ-QVDMIQRCSA-N 2 2 326.488 3.273 20 0 EGADLP Cc1[nH]c(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000572135639 317297221 /nfs/dbraw/zinc/29/72/21/317297221.db2.gz HINGWJWDIMYUAQ-QVDMIQRCSA-N 2 2 326.488 3.273 20 0 EGADLP C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000573200352 317451170 /nfs/dbraw/zinc/45/11/70/317451170.db2.gz LTUXBOQFWURWLH-YWZLYKJASA-N 2 2 343.446 3.435 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCS2 ZINC000155703069 455033160 /nfs/dbraw/zinc/03/31/60/455033160.db2.gz DPHFDGJHQNSYHL-CYBMUJFWSA-N 2 2 338.274 3.472 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3Cc4ccccc4C3)c2cc1C ZINC000574127085 317563110 /nfs/dbraw/zinc/56/31/10/317563110.db2.gz KMFQJJBQLQEJBC-HXUWFJFHSA-N 2 2 349.478 3.019 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000285610023 455881790 /nfs/dbraw/zinc/88/17/90/455881790.db2.gz YUNZQOMTOUYIEQ-LBPRGKRZSA-N 2 2 339.277 3.032 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000174510117 323307415 /nfs/dbraw/zinc/30/74/15/323307415.db2.gz PABZPPRMLUYVPZ-ZWKOTPCHSA-N 2 2 329.419 3.449 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1CC1 ZINC000179153313 323371893 /nfs/dbraw/zinc/37/18/93/323371893.db2.gz NXWVIUUSEKZDEK-UHFFFAOYSA-N 2 2 326.444 3.186 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C1CC1 ZINC000179153313 323371897 /nfs/dbraw/zinc/37/18/97/323371897.db2.gz NXWVIUUSEKZDEK-UHFFFAOYSA-N 2 2 326.444 3.186 20 0 EGADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CCOCC1 ZINC000188011208 323758423 /nfs/dbraw/zinc/75/84/23/323758423.db2.gz QUFLNJZRIPWDEV-QFBILLFUSA-N 2 2 334.504 3.147 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000276692899 456552329 /nfs/dbraw/zinc/55/23/29/456552329.db2.gz ANMRACWAMUALHE-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000459389063 324358873 /nfs/dbraw/zinc/35/88/73/324358873.db2.gz LLVYVOQWUZGJFP-UHFFFAOYSA-N 2 2 336.483 3.417 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000576604065 324648579 /nfs/dbraw/zinc/64/85/79/324648579.db2.gz JYMAJVBZLLHXDQ-OAHLLOKOSA-N 2 2 326.444 3.035 20 0 EGADLP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000578529377 324982658 /nfs/dbraw/zinc/98/26/58/324982658.db2.gz XYLLRKKZMVPMPM-HNAYVOBHSA-N 2 2 336.907 3.445 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1c1ccccc1 ZINC000579328303 325094995 /nfs/dbraw/zinc/09/49/95/325094995.db2.gz VVHIQOQUQYLHJP-HZPDHXFCSA-N 2 2 327.476 3.027 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C[C@@H]1c1ccccc1 ZINC000579328303 325094997 /nfs/dbraw/zinc/09/49/97/325094997.db2.gz VVHIQOQUQYLHJP-HZPDHXFCSA-N 2 2 327.476 3.027 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)O[C@H](C)C2 ZINC000579668340 325141152 /nfs/dbraw/zinc/14/11/52/325141152.db2.gz ZWBKHJWNAGJISS-RDTXWAMCSA-N 2 2 340.423 3.067 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)O[C@H](C)C2 ZINC000579668340 325141156 /nfs/dbraw/zinc/14/11/56/325141156.db2.gz ZWBKHJWNAGJISS-RDTXWAMCSA-N 2 2 340.423 3.067 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)n2c1 ZINC000189627594 455224276 /nfs/dbraw/zinc/22/42/76/455224276.db2.gz PMKXVUPUBUCUGY-BBRMVZONSA-N 2 2 341.377 3.216 20 0 EGADLP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000180695825 455229352 /nfs/dbraw/zinc/22/93/52/455229352.db2.gz NOYUNUBOSUCAOD-ZBFHGGJFSA-N 2 2 327.453 3.484 20 0 EGADLP O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21)c1cccs1 ZINC000180695825 455229357 /nfs/dbraw/zinc/22/93/57/455229357.db2.gz NOYUNUBOSUCAOD-ZBFHGGJFSA-N 2 2 327.453 3.484 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(Br)c1 ZINC000427864968 458045866 /nfs/dbraw/zinc/04/58/66/458045866.db2.gz GMRMVDIHSGUOKH-ZYHUDNBSSA-N 2 2 338.224 3.450 20 0 EGADLP c1cncc(C[NH+](CCC[N@H+](Cc2cccnc2)C2CC2)C2CC2)c1 ZINC000180738164 455236699 /nfs/dbraw/zinc/23/66/99/455236699.db2.gz VTOMJSXWPTZUSK-UHFFFAOYSA-N 2 2 336.483 3.496 20 0 EGADLP c1cncc(C[NH+](CCC[N@@H+](Cc2cccnc2)C2CC2)C2CC2)c1 ZINC000180738164 455236703 /nfs/dbraw/zinc/23/67/03/455236703.db2.gz VTOMJSXWPTZUSK-UHFFFAOYSA-N 2 2 336.483 3.496 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851183 458596541 /nfs/dbraw/zinc/59/65/41/458596541.db2.gz HJQQIMJSHYUJSD-ONGXEEELSA-N 2 2 349.219 3.220 20 0 EGADLP COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180757978 455239916 /nfs/dbraw/zinc/23/99/16/455239916.db2.gz GPZOJSUOIUWXLM-UHFFFAOYSA-N 2 2 337.423 3.290 20 0 EGADLP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc2[nH+]ccn21 ZINC000180757978 455239919 /nfs/dbraw/zinc/23/99/19/455239919.db2.gz GPZOJSUOIUWXLM-UHFFFAOYSA-N 2 2 337.423 3.290 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008559 459177546 /nfs/dbraw/zinc/17/75/46/459177546.db2.gz AVDNXNJYUNKVNR-ZFWWWQNUSA-N 2 2 328.859 3.487 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000480008559 459177557 /nfs/dbraw/zinc/17/75/57/459177557.db2.gz AVDNXNJYUNKVNR-ZFWWWQNUSA-N 2 2 328.859 3.487 20 0 EGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1Br ZINC000158073538 455265925 /nfs/dbraw/zinc/26/59/25/455265925.db2.gz IJVKLPGLHZUCBC-CHWSQXEVSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Br ZINC000158073538 455265928 /nfs/dbraw/zinc/26/59/28/455265928.db2.gz IJVKLPGLHZUCBC-CHWSQXEVSA-N 2 2 327.241 3.305 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1OC ZINC000173344600 455270070 /nfs/dbraw/zinc/27/00/70/455270070.db2.gz IBBOZUWFANKFAL-MRXNPFEDSA-N 2 2 328.456 3.486 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000173344600 455270072 /nfs/dbraw/zinc/27/00/72/455270072.db2.gz IBBOZUWFANKFAL-MRXNPFEDSA-N 2 2 328.456 3.486 20 0 EGADLP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000183381207 455285363 /nfs/dbraw/zinc/28/53/63/455285363.db2.gz VOQDBFWGMKSZOJ-OAHLLOKOSA-N 2 2 332.411 3.108 20 0 EGADLP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000183381207 455285366 /nfs/dbraw/zinc/28/53/66/455285366.db2.gz VOQDBFWGMKSZOJ-OAHLLOKOSA-N 2 2 332.411 3.108 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000158894181 455335981 /nfs/dbraw/zinc/33/59/81/455335981.db2.gz FQINRAONVYXBNZ-UHFFFAOYSA-N 2 2 325.500 3.460 20 0 EGADLP Cc1cc(C)cc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000605437390 460580913 /nfs/dbraw/zinc/58/09/13/460580913.db2.gz PFQFYKBSRZBRQO-IBGZPJMESA-N 2 2 337.467 3.421 20 0 EGADLP O=C(CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)Nc1c(Cl)cccc1Cl ZINC000631868651 460584287 /nfs/dbraw/zinc/58/42/87/460584287.db2.gz MDGJHZVTUONTOC-BZNIZROVSA-N 2 2 342.270 3.054 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000631889319 460590050 /nfs/dbraw/zinc/59/00/50/460590050.db2.gz IPVKJMYXLNYTHP-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975059 455346871 /nfs/dbraw/zinc/34/68/71/455346871.db2.gz YWADARVUUKAXGV-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975059 455346875 /nfs/dbraw/zinc/34/68/75/455346875.db2.gz YWADARVUUKAXGV-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975059 455346878 /nfs/dbraw/zinc/34/68/78/455346878.db2.gz YWADARVUUKAXGV-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975059 455346881 /nfs/dbraw/zinc/34/68/81/455346881.db2.gz YWADARVUUKAXGV-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CN(C(=O)c1ccsc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245732218 455367964 /nfs/dbraw/zinc/36/79/64/455367964.db2.gz SEDTUHJQXLZUSL-QZTJIDSGSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1ccsc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245732218 455367968 /nfs/dbraw/zinc/36/79/68/455367968.db2.gz SEDTUHJQXLZUSL-QZTJIDSGSA-N 2 2 349.544 3.157 20 0 EGADLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCc1ccccc1 ZINC000032087299 453864237 /nfs/dbraw/zinc/86/42/37/453864237.db2.gz KUMYRTJBQUERDH-UHFFFAOYSA-N 2 2 326.440 3.197 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571462 453889512 /nfs/dbraw/zinc/88/95/12/453889512.db2.gz CCFPRAPJWIWQCO-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571462 453889514 /nfs/dbraw/zinc/88/95/14/453889514.db2.gz CCFPRAPJWIWQCO-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571462 453889517 /nfs/dbraw/zinc/88/95/17/453889517.db2.gz CCFPRAPJWIWQCO-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000081571462 453889520 /nfs/dbraw/zinc/88/95/20/453889520.db2.gz CCFPRAPJWIWQCO-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000054286573 453920950 /nfs/dbraw/zinc/92/09/50/453920950.db2.gz PRXUUOJSBFYCIC-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000054286573 453920954 /nfs/dbraw/zinc/92/09/54/453920954.db2.gz PRXUUOJSBFYCIC-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000076004608 453948850 /nfs/dbraw/zinc/94/88/50/453948850.db2.gz WSVNYTAITKRHCQ-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000076004608 453948851 /nfs/dbraw/zinc/94/88/51/453948851.db2.gz WSVNYTAITKRHCQ-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CC[N@@H+](Cc1ncc(Cl)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108402 453964461 /nfs/dbraw/zinc/96/44/61/453964461.db2.gz JKYIHMQICVNCMU-UHFFFAOYSA-N 2 2 347.894 3.207 20 0 EGADLP CC[N@H+](Cc1ncc(Cl)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108402 453964464 /nfs/dbraw/zinc/96/44/64/453964464.db2.gz JKYIHMQICVNCMU-UHFFFAOYSA-N 2 2 347.894 3.207 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000068392563 454022999 /nfs/dbraw/zinc/02/29/99/454022999.db2.gz MMYYXMKNMDYUHA-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP c1sc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804314 454145887 /nfs/dbraw/zinc/14/58/87/454145887.db2.gz FMADGCKLJOLFCD-INIZCTEOSA-N 2 2 330.497 3.446 20 0 EGADLP c1sc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804314 454145890 /nfs/dbraw/zinc/14/58/90/454145890.db2.gz FMADGCKLJOLFCD-INIZCTEOSA-N 2 2 330.497 3.446 20 0 EGADLP COc1cccc(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000089549968 454161955 /nfs/dbraw/zinc/16/19/55/454161955.db2.gz NLQHKQDBDOQSIT-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000089622248 454168536 /nfs/dbraw/zinc/16/85/36/454168536.db2.gz YSWJQFTVDDZUTL-KRWDZBQOSA-N 2 2 339.483 3.275 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000119791492 454220453 /nfs/dbraw/zinc/22/04/53/454220453.db2.gz KOZNPPLHYUQGNK-HNNXBMFYSA-N 2 2 344.459 3.438 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000071857566 454233571 /nfs/dbraw/zinc/23/35/71/454233571.db2.gz PIIBFXUBHDHURI-UZLBHIALSA-N 2 2 347.466 3.397 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000071857566 454233575 /nfs/dbraw/zinc/23/35/75/454233575.db2.gz PIIBFXUBHDHURI-UZLBHIALSA-N 2 2 347.466 3.397 20 0 EGADLP CCc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078454915 454255346 /nfs/dbraw/zinc/25/53/46/454255346.db2.gz XLAHSAJQXGYDAZ-GOSISDBHSA-N 2 2 339.487 3.412 20 0 EGADLP CCc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078454915 454255349 /nfs/dbraw/zinc/25/53/49/454255349.db2.gz XLAHSAJQXGYDAZ-GOSISDBHSA-N 2 2 339.487 3.412 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000090047386 454267085 /nfs/dbraw/zinc/26/70/85/454267085.db2.gz QYNKBWNHAVFLNI-WMLDXEAASA-N 2 2 338.879 3.254 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000090048010 454267206 /nfs/dbraw/zinc/26/72/06/454267206.db2.gz QMQISCALPJGVNT-VNHYZAJKSA-N 2 2 326.531 3.374 20 0 EGADLP Clc1ccc(O[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)cc1Cl ZINC000131716355 454278406 /nfs/dbraw/zinc/27/84/06/454278406.db2.gz MNOUEIPGGURJEF-CYBMUJFWSA-N 2 2 326.227 3.343 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131761506 454283491 /nfs/dbraw/zinc/28/34/91/454283491.db2.gz IBNPTCWRKVLPII-KRWDZBQOSA-N 2 2 328.412 3.012 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131761506 454283499 /nfs/dbraw/zinc/28/34/99/454283499.db2.gz IBNPTCWRKVLPII-KRWDZBQOSA-N 2 2 328.412 3.012 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131872330 454293712 /nfs/dbraw/zinc/29/37/12/454293712.db2.gz MZNAYLXVKMQIMN-INIZCTEOSA-N 2 2 345.830 3.135 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131872330 454293717 /nfs/dbraw/zinc/29/37/17/454293717.db2.gz MZNAYLXVKMQIMN-INIZCTEOSA-N 2 2 345.830 3.135 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090780102 454340572 /nfs/dbraw/zinc/34/05/72/454340572.db2.gz BZFOVRPZJFXVER-KKSFZXQISA-N 2 2 333.435 3.357 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000090914088 454349817 /nfs/dbraw/zinc/34/98/17/454349817.db2.gz YYDKJRVOQSVEQZ-BEVDRBHNSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000090914088 454349824 /nfs/dbraw/zinc/34/98/24/454349824.db2.gz YYDKJRVOQSVEQZ-BEVDRBHNSA-N 2 2 328.431 3.112 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868269 454354504 /nfs/dbraw/zinc/35/45/04/454354504.db2.gz SLRUHIOIGCYQDM-GGPKGHCWSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868269 454354506 /nfs/dbraw/zinc/35/45/06/454354506.db2.gz SLRUHIOIGCYQDM-GGPKGHCWSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868269 454354512 /nfs/dbraw/zinc/35/45/12/454354512.db2.gz SLRUHIOIGCYQDM-GGPKGHCWSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868269 454354516 /nfs/dbraw/zinc/35/45/16/454354516.db2.gz SLRUHIOIGCYQDM-GGPKGHCWSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3nccnc3c2)C[N@@H+]1Cc1ccccc1 ZINC000634968770 460633361 /nfs/dbraw/zinc/63/33/61/460633361.db2.gz WVVZAOZYLORGAN-LPHOPBHVSA-N 2 2 332.451 3.382 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3nccnc3c2)C[N@H+]1Cc1ccccc1 ZINC000634968770 460633365 /nfs/dbraw/zinc/63/33/65/460633365.db2.gz WVVZAOZYLORGAN-LPHOPBHVSA-N 2 2 332.451 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCc4ccsc4C3)c2cc1C ZINC000132931952 454378577 /nfs/dbraw/zinc/37/85/77/454378577.db2.gz IXQSKTWBZGVCAP-INIZCTEOSA-N 2 2 341.480 3.134 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143744 454462442 /nfs/dbraw/zinc/46/24/42/454462442.db2.gz KCERRWFGRPHVFM-MAUKXSAKSA-N 2 2 344.886 3.410 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000098143744 454462444 /nfs/dbraw/zinc/46/24/44/454462444.db2.gz KCERRWFGRPHVFM-MAUKXSAKSA-N 2 2 344.886 3.410 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000121865449 454487270 /nfs/dbraw/zinc/48/72/70/454487270.db2.gz WYFYYQSRXKVSFU-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000121865449 454487272 /nfs/dbraw/zinc/48/72/72/454487272.db2.gz WYFYYQSRXKVSFU-OAHLLOKOSA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960199 454496177 /nfs/dbraw/zinc/49/61/77/454496177.db2.gz XSAVOBNIEOXZIB-ZFWWWQNUSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960199 454496182 /nfs/dbraw/zinc/49/61/82/454496182.db2.gz XSAVOBNIEOXZIB-ZFWWWQNUSA-N 2 2 327.457 3.418 20 0 EGADLP Cc1ccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)c[nH+]1 ZINC000092412595 454563599 /nfs/dbraw/zinc/56/35/99/454563599.db2.gz VOEZTVUMWMOURS-UHFFFAOYSA-N 2 2 330.863 3.407 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134859843 454599093 /nfs/dbraw/zinc/59/90/93/454599093.db2.gz YDIPTMCRSMYJIF-YVWKXTFCSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134859843 454599099 /nfs/dbraw/zinc/59/90/99/454599099.db2.gz YDIPTMCRSMYJIF-YVWKXTFCSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134859843 454599103 /nfs/dbraw/zinc/59/91/03/454599103.db2.gz YDIPTMCRSMYJIF-YVWKXTFCSA-N 2 2 347.547 3.020 20 0 EGADLP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134859843 454599108 /nfs/dbraw/zinc/59/91/08/454599108.db2.gz YDIPTMCRSMYJIF-YVWKXTFCSA-N 2 2 347.547 3.020 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000080958974 454657516 /nfs/dbraw/zinc/65/75/16/454657516.db2.gz CUGARBBHQRKJFY-MRXNPFEDSA-N 2 2 337.427 3.272 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000080958974 454657520 /nfs/dbraw/zinc/65/75/20/454657520.db2.gz CUGARBBHQRKJFY-MRXNPFEDSA-N 2 2 337.427 3.272 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080972760 454663506 /nfs/dbraw/zinc/66/35/06/454663506.db2.gz BUAJOKQJLIVDHQ-INIZCTEOSA-N 2 2 337.427 3.402 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080972760 454663511 /nfs/dbraw/zinc/66/35/11/454663511.db2.gz BUAJOKQJLIVDHQ-INIZCTEOSA-N 2 2 337.427 3.402 20 0 EGADLP CC[NH+](CC)CCOC1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000075007973 454673639 /nfs/dbraw/zinc/67/36/39/454673639.db2.gz JYPOOCYJVWQUAR-UHFFFAOYSA-N 2 2 349.519 3.030 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[NH+](C)C ZINC000106459930 454695790 /nfs/dbraw/zinc/69/57/90/454695790.db2.gz OHFLGWGKWSMHHZ-IBGZPJMESA-N 2 2 340.471 3.411 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2ccccn2)cc1 ZINC000124380436 454725742 /nfs/dbraw/zinc/72/57/42/454725742.db2.gz QYKWOONATCMILI-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2ccccn2)cc1 ZINC000124380436 454725744 /nfs/dbraw/zinc/72/57/44/454725744.db2.gz QYKWOONATCMILI-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000136310933 454735122 /nfs/dbraw/zinc/73/51/22/454735122.db2.gz JTWUTHVDHIYNLO-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000136310933 454735128 /nfs/dbraw/zinc/73/51/28/454735128.db2.gz JTWUTHVDHIYNLO-UHFFFAOYSA-N 2 2 345.834 3.417 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000107368942 454754016 /nfs/dbraw/zinc/75/40/16/454754016.db2.gz ULYOHQSADLQDSF-MRXNPFEDSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000107368942 454754020 /nfs/dbraw/zinc/75/40/20/454754020.db2.gz ULYOHQSADLQDSF-MRXNPFEDSA-N 2 2 342.314 3.205 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccccc1 ZINC000635011812 460655513 /nfs/dbraw/zinc/65/55/13/460655513.db2.gz PGSLUGTXZNOKCA-HOCLYGCPSA-N 2 2 327.476 3.005 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1CCOCC1 ZINC000163042282 454819127 /nfs/dbraw/zinc/81/91/27/454819127.db2.gz BYULOZWRGOHUHN-INIZCTEOSA-N 2 2 326.550 3.143 20 0 EGADLP c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)[nH+]c1 ZINC000126078019 454868826 /nfs/dbraw/zinc/86/88/26/454868826.db2.gz UWYFYCXRYTZJGG-UHFFFAOYSA-N 2 2 339.439 3.002 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360950 454898540 /nfs/dbraw/zinc/89/85/40/454898540.db2.gz IOIZYPXEJMNHHY-OXQOHEQNSA-N 3 2 333.495 3.110 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165360950 454898542 /nfs/dbraw/zinc/89/85/42/454898542.db2.gz IOIZYPXEJMNHHY-OXQOHEQNSA-N 3 2 333.495 3.110 20 0 EGADLP C[C@H]([NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CCOC1 ZINC000165358216 454898778 /nfs/dbraw/zinc/89/87/78/454898778.db2.gz DVHMZBGIIXFNJI-DBVUQKKJSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@H]([NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)[C@@H]1CCOC1 ZINC000165358216 454898783 /nfs/dbraw/zinc/89/87/83/454898783.db2.gz DVHMZBGIIXFNJI-DBVUQKKJSA-N 2 2 330.516 3.474 20 0 EGADLP CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000177883401 454916562 /nfs/dbraw/zinc/91/65/62/454916562.db2.gz VYMDDZLVHAXADZ-MRXNPFEDSA-N 2 2 348.450 3.473 20 0 EGADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)oc1C ZINC000113247371 454919356 /nfs/dbraw/zinc/91/93/56/454919356.db2.gz GSHLDCIVZXLZRR-UHFFFAOYSA-N 2 2 340.402 3.301 20 0 EGADLP COc1ncccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000151148855 454944959 /nfs/dbraw/zinc/94/49/59/454944959.db2.gz CYKXGZNHYCITPI-UHFFFAOYSA-N 2 2 343.446 3.026 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199720 454946423 /nfs/dbraw/zinc/94/64/23/454946423.db2.gz PESKITWXDMAHCX-HZPDHXFCSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199720 454946427 /nfs/dbraw/zinc/94/64/27/454946427.db2.gz PESKITWXDMAHCX-HZPDHXFCSA-N 2 2 325.456 3.050 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151334981 454970112 /nfs/dbraw/zinc/97/01/12/454970112.db2.gz OGCUBEBBQNNAQY-OAQYLSRUSA-N 2 2 335.451 3.279 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1OC ZINC000151358714 454974301 /nfs/dbraw/zinc/97/43/01/454974301.db2.gz YXPNTCRPXFQMTF-KRWDZBQOSA-N 2 2 340.895 3.236 20 0 EGADLP Clc1ccc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000267106752 455501538 /nfs/dbraw/zinc/50/15/38/455501538.db2.gz XTGMENLBCAUKKP-UHFFFAOYSA-N 2 2 331.847 3.189 20 0 EGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151795078 455032057 /nfs/dbraw/zinc/03/20/57/455032057.db2.gz ZLOVPJPPTQOFTH-FCHUYYIVSA-N 2 2 338.495 3.017 20 0 EGADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151795078 455032061 /nfs/dbraw/zinc/03/20/61/455032061.db2.gz ZLOVPJPPTQOFTH-FCHUYYIVSA-N 2 2 338.495 3.017 20 0 EGADLP CCc1noc(-c2ccc(CC[NH2+]Cc3cccc4[nH+]ccn43)cc2)n1 ZINC000179423979 455046513 /nfs/dbraw/zinc/04/65/13/455046513.db2.gz WAFQMGCELHQEQL-UHFFFAOYSA-N 2 2 347.422 3.279 20 0 EGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@H]1CCOC1 ZINC000179782050 455078534 /nfs/dbraw/zinc/07/85/34/455078534.db2.gz OGBUONMNIBYZPG-GJZGRUSLSA-N 2 2 335.467 3.193 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095696 455081482 /nfs/dbraw/zinc/08/14/82/455081482.db2.gz KDSFDDPIQAZVCZ-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095696 455081483 /nfs/dbraw/zinc/08/14/83/455081483.db2.gz KDSFDDPIQAZVCZ-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095696 455081486 /nfs/dbraw/zinc/08/14/86/455081486.db2.gz KDSFDDPIQAZVCZ-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(O)ccc3Br)CC[C@@H]21 ZINC000156095696 455081489 /nfs/dbraw/zinc/08/14/89/455081489.db2.gz KDSFDDPIQAZVCZ-WBMJQRKESA-N 2 2 339.277 3.071 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000156179043 455090354 /nfs/dbraw/zinc/09/03/54/455090354.db2.gz BCALKDODVGFFMX-GDBMZVCRSA-N 2 2 325.412 3.073 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000156252667 455098055 /nfs/dbraw/zinc/09/80/55/455098055.db2.gz BHGDRHOGTLGWHV-OWJWWREXSA-N 2 2 343.496 3.139 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000129168608 455100513 /nfs/dbraw/zinc/10/05/13/455100513.db2.gz FMVPIUQAFFMPIO-IINYFYTJSA-N 2 2 327.241 3.303 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000129168608 455100518 /nfs/dbraw/zinc/10/05/18/455100518.db2.gz FMVPIUQAFFMPIO-IINYFYTJSA-N 2 2 327.241 3.303 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000156311777 455103382 /nfs/dbraw/zinc/10/33/82/455103382.db2.gz WYHIWXNSPFAQQI-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000156311777 455103384 /nfs/dbraw/zinc/10/33/84/455103384.db2.gz WYHIWXNSPFAQQI-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309355 455103680 /nfs/dbraw/zinc/10/36/80/455103680.db2.gz WJWNJROWJOOBBY-IBGZPJMESA-N 2 2 328.412 3.012 20 0 EGADLP COc1ccc(OCCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156309355 455103683 /nfs/dbraw/zinc/10/36/83/455103683.db2.gz WJWNJROWJOOBBY-IBGZPJMESA-N 2 2 328.412 3.012 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156407261 455115159 /nfs/dbraw/zinc/11/51/59/455115159.db2.gz YVNYSMQFNZOUCG-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156407261 455115162 /nfs/dbraw/zinc/11/51/62/455115162.db2.gz YVNYSMQFNZOUCG-WMZOPIPTSA-N 2 2 339.439 3.179 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152417934 455115911 /nfs/dbraw/zinc/11/59/11/455115911.db2.gz MUDNUOCBVXTYDF-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152417934 455115914 /nfs/dbraw/zinc/11/59/14/455115914.db2.gz MUDNUOCBVXTYDF-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152417934 455115917 /nfs/dbraw/zinc/11/59/17/455115917.db2.gz MUDNUOCBVXTYDF-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152417934 455115920 /nfs/dbraw/zinc/11/59/20/455115920.db2.gz MUDNUOCBVXTYDF-YQVWRLOYSA-N 2 2 345.531 3.088 20 0 EGADLP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156422095 455116661 /nfs/dbraw/zinc/11/66/61/455116661.db2.gz IXBKUADGRJBBSL-YOEHRIQHSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156422095 455116664 /nfs/dbraw/zinc/11/66/64/455116664.db2.gz IXBKUADGRJBBSL-YOEHRIQHSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@@H](C[NH2+]Cc1csc(COc2ccccc2)n1)Cn1cc[nH+]c1 ZINC000172116585 455123928 /nfs/dbraw/zinc/12/39/28/455123928.db2.gz BJCZZPUHUQOMFZ-HNNXBMFYSA-N 2 2 342.468 3.345 20 0 EGADLP C[N@@H+](Cc1cccc2nccn21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180197075 455147598 /nfs/dbraw/zinc/14/75/98/455147598.db2.gz QIWSQZSTAPHQGF-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cccc2nccn21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000180197075 455147600 /nfs/dbraw/zinc/14/76/00/455147600.db2.gz QIWSQZSTAPHQGF-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2nccn21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000180197075 455147602 /nfs/dbraw/zinc/14/76/02/455147602.db2.gz QIWSQZSTAPHQGF-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2nccn21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180197075 455147604 /nfs/dbraw/zinc/14/76/04/455147604.db2.gz QIWSQZSTAPHQGF-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000237305204 455171623 /nfs/dbraw/zinc/17/16/23/455171623.db2.gz RDOOFYJEXCLSDV-UHFFFAOYSA-N 2 2 336.476 3.065 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157301065 455182005 /nfs/dbraw/zinc/18/20/05/455182005.db2.gz ZTBOBBWFKUYBKD-OALUTQOASA-N 2 2 343.515 3.378 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157301065 455182009 /nfs/dbraw/zinc/18/20/09/455182009.db2.gz ZTBOBBWFKUYBKD-OALUTQOASA-N 2 2 343.515 3.378 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417390 455293043 /nfs/dbraw/zinc/29/30/43/455293043.db2.gz FZROQMUBOQBNLU-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417390 455293045 /nfs/dbraw/zinc/29/30/45/455293045.db2.gz FZROQMUBOQBNLU-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417390 455293049 /nfs/dbraw/zinc/29/30/49/455293049.db2.gz FZROQMUBOQBNLU-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245417390 455293051 /nfs/dbraw/zinc/29/30/51/455293051.db2.gz FZROQMUBOQBNLU-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000623657323 460666212 /nfs/dbraw/zinc/66/62/12/460666212.db2.gz NMGPCXQOOJQHNB-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000623657323 460666217 /nfs/dbraw/zinc/66/62/17/460666217.db2.gz NMGPCXQOOJQHNB-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245444567 455301171 /nfs/dbraw/zinc/30/11/71/455301171.db2.gz JTIUEYTVSOBCBT-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000245444567 455301175 /nfs/dbraw/zinc/30/11/75/455301175.db2.gz JTIUEYTVSOBCBT-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CC[C@@H](CSC)[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245630433 455344404 /nfs/dbraw/zinc/34/44/04/455344404.db2.gz ZUTUYJUSSSVJGB-JKSUJKDBSA-N 2 2 335.517 3.087 20 0 EGADLP CC[C@@H](CSC)[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245630433 455344407 /nfs/dbraw/zinc/34/44/07/455344407.db2.gz ZUTUYJUSSSVJGB-JKSUJKDBSA-N 2 2 335.517 3.087 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000245754898 455373717 /nfs/dbraw/zinc/37/37/17/455373717.db2.gz ZGJRCQVBMKEICZ-ZIFCJYIRSA-N 2 2 346.519 3.336 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000245754898 455373722 /nfs/dbraw/zinc/37/37/22/455373722.db2.gz ZGJRCQVBMKEICZ-ZIFCJYIRSA-N 2 2 346.519 3.336 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1 ZINC000181986299 455410524 /nfs/dbraw/zinc/41/05/24/455410524.db2.gz FJWJYSKTJUKJLP-MRXNPFEDSA-N 2 2 325.456 3.428 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1 ZINC000181986299 455410528 /nfs/dbraw/zinc/41/05/28/455410528.db2.gz FJWJYSKTJUKJLP-MRXNPFEDSA-N 2 2 325.456 3.428 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124046 455431800 /nfs/dbraw/zinc/43/18/00/455431800.db2.gz DJNOBIQTULCSAX-QZTJIDSGSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124046 455431805 /nfs/dbraw/zinc/43/18/05/455431805.db2.gz DJNOBIQTULCSAX-QZTJIDSGSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124046 455431808 /nfs/dbraw/zinc/43/18/08/455431808.db2.gz DJNOBIQTULCSAX-QZTJIDSGSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000246124046 455431814 /nfs/dbraw/zinc/43/18/14/455431814.db2.gz DJNOBIQTULCSAX-QZTJIDSGSA-N 2 2 331.504 3.092 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266929057 455477178 /nfs/dbraw/zinc/47/71/78/455477178.db2.gz OFBLDPGQPAZXDH-UONOGXRCSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266929057 455477182 /nfs/dbraw/zinc/47/71/82/455477182.db2.gz OFBLDPGQPAZXDH-UONOGXRCSA-N 2 2 330.407 3.064 20 0 EGADLP CN(C)c1cc[nH+]cc1CNC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000185125086 455506079 /nfs/dbraw/zinc/50/60/79/455506079.db2.gz FIKRTFNGDGAPQO-SFHVURJKSA-N 2 2 328.460 3.057 20 0 EGADLP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000185201281 455520547 /nfs/dbraw/zinc/52/05/47/455520547.db2.gz MPUFPDZKQQCZEL-RTBURBONSA-N 2 2 331.504 3.228 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246837674 455529428 /nfs/dbraw/zinc/52/94/28/455529428.db2.gz OONSCMPWWAHJJJ-ORZNMBHWSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246837674 455529432 /nfs/dbraw/zinc/52/94/32/455529432.db2.gz OONSCMPWWAHJJJ-ORZNMBHWSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246837674 455529434 /nfs/dbraw/zinc/52/94/34/455529434.db2.gz OONSCMPWWAHJJJ-ORZNMBHWSA-N 2 2 347.547 3.019 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000246843830 455529594 /nfs/dbraw/zinc/52/95/94/455529594.db2.gz RZJUDCPKLFVZJN-SUMDDJOVSA-N 2 2 347.890 3.249 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000246843830 455529598 /nfs/dbraw/zinc/52/95/98/455529598.db2.gz RZJUDCPKLFVZJN-SUMDDJOVSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000246843830 455529602 /nfs/dbraw/zinc/52/96/02/455529602.db2.gz RZJUDCPKLFVZJN-SUMDDJOVSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@@H]21 ZINC000246843830 455529604 /nfs/dbraw/zinc/52/96/04/455529604.db2.gz RZJUDCPKLFVZJN-SUMDDJOVSA-N 2 2 347.890 3.249 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1C ZINC000247145753 455566161 /nfs/dbraw/zinc/56/61/61/455566161.db2.gz WOXCNQKBCYKSPG-YLJYHZDGSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1C ZINC000247145753 455566164 /nfs/dbraw/zinc/56/61/64/455566164.db2.gz WOXCNQKBCYKSPG-YLJYHZDGSA-N 2 2 339.483 3.399 20 0 EGADLP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247236046 455576850 /nfs/dbraw/zinc/57/68/50/455576850.db2.gz YOBMKWKQTSMAEV-RMVXJAJNSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247236046 455576852 /nfs/dbraw/zinc/57/68/52/455576852.db2.gz YOBMKWKQTSMAEV-RMVXJAJNSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247325177 455588067 /nfs/dbraw/zinc/58/80/67/455588067.db2.gz GFLHMJDPZVYVDI-LMMKCTJWSA-N 2 2 344.503 3.161 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247325177 455588071 /nfs/dbraw/zinc/58/80/71/455588071.db2.gz GFLHMJDPZVYVDI-LMMKCTJWSA-N 2 2 344.503 3.161 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185678441 455594488 /nfs/dbraw/zinc/59/44/88/455594488.db2.gz GLKLILFWMKIMIS-QRWLVFNGSA-N 2 2 325.456 3.426 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1-n1cncn1 ZINC000185681690 455595325 /nfs/dbraw/zinc/59/53/25/455595325.db2.gz JWELRDXPUPWWNS-DYESRHJHSA-N 2 2 349.482 3.357 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)OC(C)C ZINC000185724355 455606695 /nfs/dbraw/zinc/60/66/95/455606695.db2.gz WNNAMRKBAQXQFP-FTRWYGJKSA-N 2 2 332.488 3.376 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)OC(C)C ZINC000185724355 455606699 /nfs/dbraw/zinc/60/66/99/455606699.db2.gz WNNAMRKBAQXQFP-FTRWYGJKSA-N 2 2 332.488 3.376 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247485068 455609320 /nfs/dbraw/zinc/60/93/20/455609320.db2.gz KLYZYQAFUXJWAW-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247485068 455609325 /nfs/dbraw/zinc/60/93/25/455609325.db2.gz KLYZYQAFUXJWAW-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP Fc1cccc(Br)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000192457953 455622241 /nfs/dbraw/zinc/62/22/41/455622241.db2.gz BPWFZMNOILJQPE-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247569654 455626187 /nfs/dbraw/zinc/62/61/87/455626187.db2.gz GZSLRQBYFVMCQQ-HOTGVXAUSA-N 2 2 347.507 3.157 20 0 EGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247569654 455626195 /nfs/dbraw/zinc/62/61/95/455626195.db2.gz GZSLRQBYFVMCQQ-HOTGVXAUSA-N 2 2 347.507 3.157 20 0 EGADLP CC1CC[NH+](CCc2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)CC1 ZINC000271517569 455667975 /nfs/dbraw/zinc/66/79/75/455667975.db2.gz WKJOEUSSDCXVGK-UHFFFAOYSA-N 2 2 341.459 3.006 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000248033681 455673727 /nfs/dbraw/zinc/67/37/27/455673727.db2.gz RBJCYBAXUGKEPG-AEFFLSMTSA-N 2 2 342.487 3.134 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000248033681 455673733 /nfs/dbraw/zinc/67/37/33/455673733.db2.gz RBJCYBAXUGKEPG-AEFFLSMTSA-N 2 2 342.487 3.134 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000248043547 455674495 /nfs/dbraw/zinc/67/44/95/455674495.db2.gz UHZFPUWBVFYILW-RHSMWYFYSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000248043547 455674501 /nfs/dbraw/zinc/67/45/01/455674501.db2.gz UHZFPUWBVFYILW-RHSMWYFYSA-N 2 2 342.430 3.295 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000248057572 455675789 /nfs/dbraw/zinc/67/57/89/455675789.db2.gz XSKAVRUVGBPRIK-FCEWJHQRSA-N 2 2 334.529 3.106 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CSCCc3ccccc32)C[C@H](C)O1 ZINC000248057572 455675793 /nfs/dbraw/zinc/67/57/93/455675793.db2.gz XSKAVRUVGBPRIK-FCEWJHQRSA-N 2 2 334.529 3.106 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000277942502 455716036 /nfs/dbraw/zinc/71/60/36/455716036.db2.gz RBSBZPZGASLVJU-GDBMZVCRSA-N 2 2 344.459 3.069 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268945930 455740569 /nfs/dbraw/zinc/74/05/69/455740569.db2.gz WPBQYGXPKVHUQL-OPYAIIAOSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268945930 455740571 /nfs/dbraw/zinc/74/05/71/455740571.db2.gz WPBQYGXPKVHUQL-OPYAIIAOSA-N 3 2 340.515 3.470 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cccs2)C[N@@H+]1Cc1ccccc1 ZINC000268963862 455746134 /nfs/dbraw/zinc/74/61/34/455746134.db2.gz GILQQGNACMKOPP-HHXXYDBFSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cccs2)C[N@H+]1Cc1ccccc1 ZINC000268963862 455746140 /nfs/dbraw/zinc/74/61/40/455746140.db2.gz GILQQGNACMKOPP-HHXXYDBFSA-N 2 2 330.497 3.208 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000278151593 455771372 /nfs/dbraw/zinc/77/13/72/455771372.db2.gz ADOXAIDNAJGXDF-JSGCOSHPSA-N 2 2 331.416 3.017 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000285076263 455786230 /nfs/dbraw/zinc/78/62/30/455786230.db2.gz KMBQXPUTFAWVDA-DXJOGWAWSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000285076263 455786236 /nfs/dbraw/zinc/78/62/36/455786236.db2.gz KMBQXPUTFAWVDA-DXJOGWAWSA-N 2 2 349.906 3.074 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cccc2ccccc21 ZINC000269196505 455809262 /nfs/dbraw/zinc/80/92/62/455809262.db2.gz VRTFRJZGOAAXDA-UHFFFAOYSA-N 2 2 336.439 3.387 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1cccc2ccccc21 ZINC000269196505 455809266 /nfs/dbraw/zinc/80/92/66/455809266.db2.gz VRTFRJZGOAAXDA-UHFFFAOYSA-N 2 2 336.439 3.387 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ncc(Br)cc1F ZINC000186904007 455849502 /nfs/dbraw/zinc/84/95/02/455849502.db2.gz SENPUQVYRYGCID-JTQLQIEISA-N 2 2 332.261 3.222 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000285408572 455838309 /nfs/dbraw/zinc/83/83/09/455838309.db2.gz FSHWWTLCETZYOV-DAABDDCCSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000285408572 455838318 /nfs/dbraw/zinc/83/83/18/455838318.db2.gz FSHWWTLCETZYOV-DAABDDCCSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000285408572 455838322 /nfs/dbraw/zinc/83/83/22/455838322.db2.gz FSHWWTLCETZYOV-DAABDDCCSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000285408572 455838327 /nfs/dbraw/zinc/83/83/27/455838327.db2.gz FSHWWTLCETZYOV-DAABDDCCSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccncc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272197136 455873765 /nfs/dbraw/zinc/87/37/65/455873765.db2.gz IJRKZSFVGHWUKU-NVXWUHKLSA-N 2 2 325.460 3.098 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000285610023 455881787 /nfs/dbraw/zinc/88/17/87/455881787.db2.gz YUNZQOMTOUYIEQ-LBPRGKRZSA-N 2 2 339.277 3.032 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1ccccc1)Cc1ccco1 ZINC000285844036 455927908 /nfs/dbraw/zinc/92/79/08/455927908.db2.gz XMYCSBYFECCOJZ-UHFFFAOYSA-N 2 2 329.444 3.062 20 0 EGADLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1ccccc1)Cc1ccco1 ZINC000285844036 455927911 /nfs/dbraw/zinc/92/79/11/455927911.db2.gz XMYCSBYFECCOJZ-UHFFFAOYSA-N 2 2 329.444 3.062 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1ccccc1 ZINC000285844036 455927917 /nfs/dbraw/zinc/92/79/17/455927917.db2.gz XMYCSBYFECCOJZ-UHFFFAOYSA-N 2 2 329.444 3.062 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1ccccc1 ZINC000285844036 455927922 /nfs/dbraw/zinc/92/79/22/455927922.db2.gz XMYCSBYFECCOJZ-UHFFFAOYSA-N 2 2 329.444 3.062 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000612691587 460701683 /nfs/dbraw/zinc/70/16/83/460701683.db2.gz RYTPFFBCSMFNRK-UHFFFAOYSA-N 2 2 341.455 3.393 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000261839789 455957396 /nfs/dbraw/zinc/95/73/96/455957396.db2.gz ZRWDBVMSURHZQT-MRXNPFEDSA-N 2 2 349.276 3.010 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000261839789 455957400 /nfs/dbraw/zinc/95/74/00/455957400.db2.gz ZRWDBVMSURHZQT-MRXNPFEDSA-N 2 2 349.276 3.010 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000296563990 455974391 /nfs/dbraw/zinc/97/43/91/455974391.db2.gz VKPZWCDPDLXFJU-MRXNPFEDSA-N 2 2 341.503 3.128 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000296563990 455974394 /nfs/dbraw/zinc/97/43/94/455974394.db2.gz VKPZWCDPDLXFJU-MRXNPFEDSA-N 2 2 341.503 3.128 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188068783 455990689 /nfs/dbraw/zinc/99/06/89/455990689.db2.gz JHDJVIYYVOJLAY-KRWDZBQOSA-N 2 2 327.407 3.213 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000262090753 455995535 /nfs/dbraw/zinc/99/55/35/455995535.db2.gz UURVYPJRISHPLD-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000262090753 455995540 /nfs/dbraw/zinc/99/55/40/455995540.db2.gz UURVYPJRISHPLD-SFHVURJKSA-N 2 2 338.879 3.323 20 0 EGADLP Fc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2ncc[nH]2)cc1 ZINC000188118128 456002239 /nfs/dbraw/zinc/00/22/39/456002239.db2.gz OJJSEBCEBXUQRV-KRWDZBQOSA-N 2 2 325.391 3.125 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286244718 456007465 /nfs/dbraw/zinc/00/74/65/456007465.db2.gz GQUQXKYTRMDVDS-IJDCCNJMSA-N 2 2 346.862 3.276 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286244718 456007467 /nfs/dbraw/zinc/00/74/67/456007467.db2.gz GQUQXKYTRMDVDS-IJDCCNJMSA-N 2 2 346.862 3.276 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664232 456031409 /nfs/dbraw/zinc/03/14/09/456031409.db2.gz RZKULVXKHIEFDD-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664232 456031415 /nfs/dbraw/zinc/03/14/15/456031415.db2.gz RZKULVXKHIEFDD-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664232 456031419 /nfs/dbraw/zinc/03/14/19/456031419.db2.gz RZKULVXKHIEFDD-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C1 ZINC000272664232 456031422 /nfs/dbraw/zinc/03/14/22/456031422.db2.gz RZKULVXKHIEFDD-WIYYLYMNSA-N 2 2 337.467 3.187 20 0 EGADLP COC(=O)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000272728554 456054048 /nfs/dbraw/zinc/05/40/48/456054048.db2.gz HVNIPIVNMMAVGB-UHFFFAOYSA-N 2 2 338.879 3.093 20 0 EGADLP COc1ccc2[nH]cc(C3=CC[N@H+](CCn4cc[nH+]c4C)CC3)c2c1 ZINC000270862810 456054480 /nfs/dbraw/zinc/05/44/80/456054480.db2.gz KIFWGAQDWHVPDA-UHFFFAOYSA-N 2 2 336.439 3.471 20 0 EGADLP COc1ccc2[nH]cc(C3=CC[N@@H+](CCn4cc[nH+]c4C)CC3)c2c1 ZINC000270862810 456054485 /nfs/dbraw/zinc/05/44/85/456054485.db2.gz KIFWGAQDWHVPDA-UHFFFAOYSA-N 2 2 336.439 3.471 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)ccc1Cl ZINC000225255898 456075919 /nfs/dbraw/zinc/07/59/19/456075919.db2.gz ALXHHBTUILZDSD-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000301345185 456095243 /nfs/dbraw/zinc/09/52/43/456095243.db2.gz JNNOXNVJVYHRAB-OAHLLOKOSA-N 2 2 341.455 3.190 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000301345185 456095249 /nfs/dbraw/zinc/09/52/49/456095249.db2.gz JNNOXNVJVYHRAB-OAHLLOKOSA-N 2 2 341.455 3.190 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2cc3ccccc3c(Cl)n2)CC1 ZINC000301490421 456129278 /nfs/dbraw/zinc/12/92/78/456129278.db2.gz ATBXCUMRXWBZGY-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP COc1cccc([C@@H](CNc2nc(C)[nH+]c3c2CCCC3)[NH+](C)C)c1 ZINC000301558444 456145926 /nfs/dbraw/zinc/14/59/26/456145926.db2.gz JMCONDWCCYPBCV-LJQANCHMSA-N 2 2 340.471 3.387 20 0 EGADLP Cc1cc(NC(=O)C2CC[NH+](C)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000273036306 456154670 /nfs/dbraw/zinc/15/46/70/456154670.db2.gz UMRLRMVGPOEYTB-HNNXBMFYSA-N 2 2 330.476 3.049 20 0 EGADLP CN(C)c1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000271173399 456155072 /nfs/dbraw/zinc/15/50/72/456155072.db2.gz ROUQVQOGHLBQTP-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP CN(C)c1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000271173399 456155079 /nfs/dbraw/zinc/15/50/79/456155079.db2.gz ROUQVQOGHLBQTP-UHFFFAOYSA-N 2 2 344.528 3.306 20 0 EGADLP CCc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301609942 456160844 /nfs/dbraw/zinc/16/08/44/456160844.db2.gz QETLZURXXHIQQB-INIZCTEOSA-N 2 2 339.487 3.491 20 0 EGADLP CCc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301609942 456160851 /nfs/dbraw/zinc/16/08/51/456160851.db2.gz QETLZURXXHIQQB-INIZCTEOSA-N 2 2 339.487 3.491 20 0 EGADLP C[C@H]1C[NH+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@H](C)O1 ZINC000301705889 456192097 /nfs/dbraw/zinc/19/20/97/456192097.db2.gz GFSYNFLFUPJECH-STQMWFEESA-N 2 2 331.382 3.402 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(Nc3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000301709957 456194813 /nfs/dbraw/zinc/19/48/13/456194813.db2.gz DDIXVTRDXTUYCE-UHFFFAOYSA-N 2 2 348.438 3.132 20 0 EGADLP C[C@H]([NH2+]Cc1ncccc1N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966758 456198747 /nfs/dbraw/zinc/19/87/47/456198747.db2.gz XEQFXEKMJMDEPC-PKOBYXMFSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@H]([NH2+]Cc1ncccc1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966758 456198753 /nfs/dbraw/zinc/19/87/53/456198753.db2.gz XEQFXEKMJMDEPC-PKOBYXMFSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@H]1C[N@H+](C)CCO1 ZINC000301734283 456200828 /nfs/dbraw/zinc/20/08/28/456200828.db2.gz AOIMHWRVCBYTED-ZIAGYGMSSA-N 2 2 334.508 3.203 20 0 EGADLP C[C@@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000301734283 456200835 /nfs/dbraw/zinc/20/08/35/456200835.db2.gz AOIMHWRVCBYTED-ZIAGYGMSSA-N 2 2 334.508 3.203 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000237199266 456246277 /nfs/dbraw/zinc/24/62/77/456246277.db2.gz UKROMQKZGBXDLV-UHFFFAOYSA-N 2 2 348.459 3.326 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(Cl)c1O ZINC000297555347 456250724 /nfs/dbraw/zinc/25/07/24/456250724.db2.gz BVDVGKKSMDRNLU-CQSZACIVSA-N 2 2 338.879 3.362 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727788 456255384 /nfs/dbraw/zinc/25/53/84/456255384.db2.gz VQJBGDSUCYYFJN-LIRRHRJNSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727788 456255389 /nfs/dbraw/zinc/25/53/89/456255389.db2.gz VQJBGDSUCYYFJN-LIRRHRJNSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000333736256 456256150 /nfs/dbraw/zinc/25/61/50/456256150.db2.gz WYCIZKZNRLABDI-BEFAXECRSA-N 2 2 326.444 3.182 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000333736256 456256159 /nfs/dbraw/zinc/25/61/59/456256159.db2.gz WYCIZKZNRLABDI-BEFAXECRSA-N 2 2 326.444 3.182 20 0 EGADLP Cn1c(Cl)cnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000263906166 456260350 /nfs/dbraw/zinc/26/03/50/456260350.db2.gz GPTWVNOZRWODDP-UHFFFAOYSA-N 2 2 346.906 3.418 20 0 EGADLP Cn1c(Cl)cnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000263906166 456260354 /nfs/dbraw/zinc/26/03/54/456260354.db2.gz GPTWVNOZRWODDP-UHFFFAOYSA-N 2 2 346.906 3.418 20 0 EGADLP COc1cc(OC)cc(OCC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000290209963 456268157 /nfs/dbraw/zinc/26/81/57/456268157.db2.gz DTMRVHVREMUTDN-UHFFFAOYSA-N 2 2 330.428 3.008 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)s1 ZINC000352765638 456286940 /nfs/dbraw/zinc/28/69/40/456286940.db2.gz QGCFSEXUVXHIRM-WMZOPIPTSA-N 2 2 349.475 3.354 20 0 EGADLP COc1cccc(OC)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000352771816 456293610 /nfs/dbraw/zinc/29/36/10/456293610.db2.gz ONGDIDWWYGCUNO-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178939 456294212 /nfs/dbraw/zinc/29/42/12/456294212.db2.gz SRSQAOYYPUFDDK-IPMKNSEASA-N 2 2 327.472 3.307 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178939 456294218 /nfs/dbraw/zinc/29/42/18/456294218.db2.gz SRSQAOYYPUFDDK-IPMKNSEASA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178939 456294222 /nfs/dbraw/zinc/29/42/22/456294222.db2.gz SRSQAOYYPUFDDK-IPMKNSEASA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178939 456294229 /nfs/dbraw/zinc/29/42/29/456294229.db2.gz SRSQAOYYPUFDDK-IPMKNSEASA-N 2 2 327.472 3.307 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178938 456294874 /nfs/dbraw/zinc/29/48/74/456294874.db2.gz SRSQAOYYPUFDDK-GUDVDZBRSA-N 2 2 327.472 3.307 20 0 EGADLP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178938 456294879 /nfs/dbraw/zinc/29/48/79/456294879.db2.gz SRSQAOYYPUFDDK-GUDVDZBRSA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178938 456294884 /nfs/dbraw/zinc/29/48/84/456294884.db2.gz SRSQAOYYPUFDDK-GUDVDZBRSA-N 2 2 327.472 3.307 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccco1 ZINC000340178938 456294887 /nfs/dbraw/zinc/29/48/87/456294887.db2.gz SRSQAOYYPUFDDK-GUDVDZBRSA-N 2 2 327.472 3.307 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790026 456307935 /nfs/dbraw/zinc/30/79/35/456307935.db2.gz VMYQZSIMYLJVCD-APWZRJJASA-N 2 2 338.451 3.210 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790026 456307944 /nfs/dbraw/zinc/30/79/44/456307944.db2.gz VMYQZSIMYLJVCD-APWZRJJASA-N 2 2 338.451 3.210 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1O ZINC000340220847 456321888 /nfs/dbraw/zinc/32/18/88/456321888.db2.gz FSJCOJAULWYBHJ-ROUUACIJSA-N 2 2 326.440 3.326 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1O ZINC000340220847 456321892 /nfs/dbraw/zinc/32/18/92/456321892.db2.gz FSJCOJAULWYBHJ-ROUUACIJSA-N 2 2 326.440 3.326 20 0 EGADLP C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985455 456338309 /nfs/dbraw/zinc/33/83/09/456338309.db2.gz YJDYEDVXNHGPEL-AEFFLSMTSA-N 2 2 340.471 3.014 20 0 EGADLP C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985455 456338315 /nfs/dbraw/zinc/33/83/15/456338315.db2.gz YJDYEDVXNHGPEL-AEFFLSMTSA-N 2 2 340.471 3.014 20 0 EGADLP COc1sc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Br ZINC000290548906 456361184 /nfs/dbraw/zinc/36/11/84/456361184.db2.gz RRTAXTRBZHNLKJ-ZWNOBZJWSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000290548906 456361191 /nfs/dbraw/zinc/36/11/91/456361191.db2.gz RRTAXTRBZHNLKJ-ZWNOBZJWSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290548906 456361173 /nfs/dbraw/zinc/36/11/73/456361173.db2.gz RRTAXTRBZHNLKJ-ZWNOBZJWSA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Br ZINC000290548906 456361180 /nfs/dbraw/zinc/36/11/80/456361180.db2.gz RRTAXTRBZHNLKJ-ZWNOBZJWSA-N 2 2 347.322 3.291 20 0 EGADLP COc1cccc2c(N[C@H](C)[C@@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000302610393 456364335 /nfs/dbraw/zinc/36/43/35/456364335.db2.gz DUUUKHLAOVLRHG-HUUCEWRRSA-N 2 2 329.444 3.073 20 0 EGADLP COC(=O)c1coc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000290565339 456365930 /nfs/dbraw/zinc/36/59/30/456365930.db2.gz SQZTZNQJTGVLOU-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP COC(=O)c1coc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000290565339 456365938 /nfs/dbraw/zinc/36/59/38/456365938.db2.gz SQZTZNQJTGVLOU-UHFFFAOYSA-N 2 2 342.439 3.163 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000347833508 456392228 /nfs/dbraw/zinc/39/22/28/456392228.db2.gz NYSIUMFSINRWPO-OAHLLOKOSA-N 2 2 332.419 3.286 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000298245331 456401954 /nfs/dbraw/zinc/40/19/54/456401954.db2.gz CXWXHTLRKBBRQL-UHFFFAOYSA-N 2 2 340.290 3.451 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000298245331 456401959 /nfs/dbraw/zinc/40/19/59/456401959.db2.gz CXWXHTLRKBBRQL-UHFFFAOYSA-N 2 2 340.290 3.451 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340373380 456422139 /nfs/dbraw/zinc/42/21/39/456422139.db2.gz NKFNZVRMVXXTNW-ICSRJNTNSA-N 2 2 347.466 3.192 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2ncnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000340373380 456422143 /nfs/dbraw/zinc/42/21/43/456422143.db2.gz NKFNZVRMVXXTNW-ICSRJNTNSA-N 2 2 347.466 3.192 20 0 EGADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)C2 ZINC000290796940 456432208 /nfs/dbraw/zinc/43/22/08/456432208.db2.gz DRDCRRRZVKGSQU-CYBMUJFWSA-N 2 2 346.862 3.108 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1C ZINC000282223610 456447201 /nfs/dbraw/zinc/44/72/01/456447201.db2.gz PACLTUZXWRFXQC-JENIJYKNSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1C ZINC000282223610 456447207 /nfs/dbraw/zinc/44/72/07/456447207.db2.gz PACLTUZXWRFXQC-JENIJYKNSA-N 2 2 326.488 3.432 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1C ZINC000348071662 456455749 /nfs/dbraw/zinc/45/57/49/456455749.db2.gz KIUOALNKFWRLIG-UHFFFAOYSA-N 2 2 343.446 3.164 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000298448068 456459871 /nfs/dbraw/zinc/45/98/71/456459871.db2.gz NVVDZPPXUPTJJR-UHFFFAOYSA-N 3 2 347.466 3.085 20 0 EGADLP COCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000340443209 456464841 /nfs/dbraw/zinc/46/48/41/456464841.db2.gz DVYFKJMLXSRDPH-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000340443209 456464847 /nfs/dbraw/zinc/46/48/47/456464847.db2.gz DVYFKJMLXSRDPH-HKUYNNGSSA-N 2 2 331.504 3.088 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456258 456471255 /nfs/dbraw/zinc/47/12/55/456471255.db2.gz PUCOXPVIFMIUAK-DZKIICNBSA-N 2 2 328.435 3.287 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000340456258 456471259 /nfs/dbraw/zinc/47/12/59/456471259.db2.gz PUCOXPVIFMIUAK-DZKIICNBSA-N 2 2 328.435 3.287 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)O[C@H](C)C2 ZINC000337672178 456473290 /nfs/dbraw/zinc/47/32/90/456473290.db2.gz YEUNPHQEGSDRNY-OLMNPRSZSA-N 2 2 330.472 3.125 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)O[C@H](C)C2 ZINC000337672178 456473294 /nfs/dbraw/zinc/47/32/94/456473294.db2.gz YEUNPHQEGSDRNY-OLMNPRSZSA-N 2 2 330.472 3.125 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340482031 456486445 /nfs/dbraw/zinc/48/64/45/456486445.db2.gz CLNIJIIZOLEACX-YFVAEKQCSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)C1CCCCC1 ZINC000340482031 456486454 /nfs/dbraw/zinc/48/64/54/456486454.db2.gz CLNIJIIZOLEACX-YFVAEKQCSA-N 2 2 345.531 3.070 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[nH+]1 ZINC000340516884 456504638 /nfs/dbraw/zinc/50/46/38/456504638.db2.gz CUNRYKLPVLUAFD-DFQSSKMNSA-N 2 2 337.467 3.021 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000340518319 456505955 /nfs/dbraw/zinc/50/59/55/456505955.db2.gz IDFQATMZQRGQTO-HOJAQTOUSA-N 2 2 326.488 3.160 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000340518319 456505963 /nfs/dbraw/zinc/50/59/63/456505963.db2.gz IDFQATMZQRGQTO-HOJAQTOUSA-N 2 2 326.488 3.160 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340519836 456507351 /nfs/dbraw/zinc/50/73/51/456507351.db2.gz NMTWIONKEVKAKQ-GJYPPUQNSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340519836 456507355 /nfs/dbraw/zinc/50/73/55/456507355.db2.gz NMTWIONKEVKAKQ-GJYPPUQNSA-N 2 2 325.456 3.404 20 0 EGADLP C[C@H]1[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@@H+]1C ZINC000337812324 456562446 /nfs/dbraw/zinc/56/24/46/456562446.db2.gz MDUZKBOJEMWKPP-WMLDXEAASA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H]1[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CCC[N@H+]1C ZINC000337812324 456562455 /nfs/dbraw/zinc/56/24/55/456562455.db2.gz MDUZKBOJEMWKPP-WMLDXEAASA-N 2 2 325.412 3.086 20 0 EGADLP COCCCn1nccc1C[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000282601625 456565481 /nfs/dbraw/zinc/56/54/81/456565481.db2.gz HTTOUKVCVCLKFO-QGZVFWFLSA-N 2 2 344.503 3.139 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310731495 456583838 /nfs/dbraw/zinc/58/38/38/456583838.db2.gz CDZHDRBYRDKEPZ-ACAXCVFMSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000310731495 456583845 /nfs/dbraw/zinc/58/38/45/456583845.db2.gz CDZHDRBYRDKEPZ-ACAXCVFMSA-N 2 2 344.499 3.361 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)CCO1 ZINC000340637993 456590255 /nfs/dbraw/zinc/59/02/55/456590255.db2.gz LMJFLZRTYQMIBR-HNNXBMFYSA-N 2 2 343.446 3.059 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)CCO1 ZINC000340637993 456590261 /nfs/dbraw/zinc/59/02/61/456590261.db2.gz LMJFLZRTYQMIBR-HNNXBMFYSA-N 2 2 343.446 3.059 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCOCc2ccccc2)s1 ZINC000348290625 456601084 /nfs/dbraw/zinc/60/10/84/456601084.db2.gz PZGYHDSVDLORMW-UHFFFAOYSA-N 2 2 333.501 3.243 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCOCc2ccccc2)s1 ZINC000348290625 456601091 /nfs/dbraw/zinc/60/10/91/456601091.db2.gz PZGYHDSVDLORMW-UHFFFAOYSA-N 2 2 333.501 3.243 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447504 456626921 /nfs/dbraw/zinc/62/69/21/456626921.db2.gz PHKPSHPWCGPOMJ-MAUKXSAKSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1Oc1cc[nH+]cc1 ZINC000343447504 456626925 /nfs/dbraw/zinc/62/69/25/456626925.db2.gz PHKPSHPWCGPOMJ-MAUKXSAKSA-N 2 2 339.439 3.395 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C[C@@H]1COc2ccccc2O1 ZINC000353366673 456651522 /nfs/dbraw/zinc/65/15/22/456651522.db2.gz ZLIJVFYHFZGJTE-GOSISDBHSA-N 2 2 326.440 3.485 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@@H]1COc2ccccc2O1 ZINC000353366673 456651528 /nfs/dbraw/zinc/65/15/28/456651528.db2.gz ZLIJVFYHFZGJTE-GOSISDBHSA-N 2 2 326.440 3.485 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000353384104 456663819 /nfs/dbraw/zinc/66/38/19/456663819.db2.gz JXMDENAINQNFHO-BBRMVZONSA-N 2 2 334.410 3.205 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000348414774 456675528 /nfs/dbraw/zinc/67/55/28/456675528.db2.gz QAVYPOAGEYHXKR-UXHICEINSA-N 2 2 328.431 3.218 20 0 EGADLP c1ccc(C[C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cccnc2)nc1 ZINC000338165677 456678670 /nfs/dbraw/zinc/67/86/70/456678670.db2.gz DXPOCJKOSGDLHZ-LJQANCHMSA-N 2 2 333.439 3.247 20 0 EGADLP CN(CC[NH+]1CCCC1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338170497 456680219 /nfs/dbraw/zinc/68/02/19/456680219.db2.gz JJDQUEMKPFWXJF-UHFFFAOYSA-N 2 2 325.412 3.042 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277117053 456687012 /nfs/dbraw/zinc/68/70/12/456687012.db2.gz HNXMOYMGOFHGTA-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277117053 456687017 /nfs/dbraw/zinc/68/70/17/456687017.db2.gz HNXMOYMGOFHGTA-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CCOc1ccc([C@H](O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000291638609 456704277 /nfs/dbraw/zinc/70/42/77/456704277.db2.gz DPCJTENAYHAADY-FQEVSTJZSA-N 2 2 343.471 3.118 20 0 EGADLP CC(C)C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000353503443 456720425 /nfs/dbraw/zinc/72/04/25/456720425.db2.gz VCXSDLBAOCFZTP-FUHWJXTLSA-N 2 2 342.487 3.224 20 0 EGADLP COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000353521919 456733845 /nfs/dbraw/zinc/73/38/45/456733845.db2.gz QYACWDBQNOMMPI-FXFXYLOPSA-N 2 2 325.456 3.459 20 0 EGADLP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000353521919 456733850 /nfs/dbraw/zinc/73/38/50/456733850.db2.gz QYACWDBQNOMMPI-FXFXYLOPSA-N 2 2 325.456 3.459 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000348536142 456745797 /nfs/dbraw/zinc/74/57/97/456745797.db2.gz RGRHYXIYHQMSNT-LBPRGKRZSA-N 2 2 329.379 3.040 20 0 EGADLP C[C@H]([NH2+]CCCO[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338290380 456750033 /nfs/dbraw/zinc/75/00/33/456750033.db2.gz RWOKWQZCXSPKBX-LPHOPBHVSA-N 2 2 329.444 3.456 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000353580974 456779562 /nfs/dbraw/zinc/77/95/62/456779562.db2.gz ZTBBSVCCNZAVJJ-GOSISDBHSA-N 2 2 349.519 3.070 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000353580974 456779565 /nfs/dbraw/zinc/77/95/65/456779565.db2.gz ZTBBSVCCNZAVJJ-GOSISDBHSA-N 2 2 349.519 3.070 20 0 EGADLP C[NH+](CCC[N@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O)Cc1ccco1 ZINC000353580974 456779570 /nfs/dbraw/zinc/77/95/70/456779570.db2.gz ZTBBSVCCNZAVJJ-GOSISDBHSA-N 2 2 349.519 3.070 20 0 EGADLP C[NH+](CCC[N@@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O)Cc1ccco1 ZINC000353580974 456779575 /nfs/dbraw/zinc/77/95/75/456779575.db2.gz ZTBBSVCCNZAVJJ-GOSISDBHSA-N 2 2 349.519 3.070 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000348640189 456795339 /nfs/dbraw/zinc/79/53/39/456795339.db2.gz HUCMVLVUSYYYJT-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C12CCCC2 ZINC000344161575 456802095 /nfs/dbraw/zinc/80/20/95/456802095.db2.gz GQZKQRTXKODZPV-ZWKOTPCHSA-N 2 2 338.536 3.203 20 0 EGADLP COc1ccc([C@H](C[NH+](C)C)NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000341215979 456823005 /nfs/dbraw/zinc/82/30/05/456823005.db2.gz RYAIJVAPGLFQAG-IBGZPJMESA-N 2 2 338.455 3.044 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000344810665 456863011 /nfs/dbraw/zinc/86/30/11/456863011.db2.gz HSFOKAHGSMLKQD-YJBOKZPZSA-N 2 2 336.476 3.365 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000348832215 456875538 /nfs/dbraw/zinc/87/55/38/456875538.db2.gz HQUCSSTWEKSDMC-UHFFFAOYSA-N 2 2 331.504 3.436 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000348832215 456875542 /nfs/dbraw/zinc/87/55/42/456875542.db2.gz HQUCSSTWEKSDMC-UHFFFAOYSA-N 2 2 331.504 3.436 20 0 EGADLP CC[N@H+](CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000353775273 456901719 /nfs/dbraw/zinc/90/17/19/456901719.db2.gz LAEIWSIBFTYTCX-ZVBHREPYSA-N 2 2 343.515 3.173 20 0 EGADLP CC[N@@H+](CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000353775273 456901723 /nfs/dbraw/zinc/90/17/23/456901723.db2.gz LAEIWSIBFTYTCX-ZVBHREPYSA-N 2 2 343.515 3.173 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000349194155 456909918 /nfs/dbraw/zinc/90/99/18/456909918.db2.gz RGGALABZLQHGCE-CQSZACIVSA-N 2 2 341.846 3.453 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000349194155 456909924 /nfs/dbraw/zinc/90/99/24/456909924.db2.gz RGGALABZLQHGCE-CQSZACIVSA-N 2 2 341.846 3.453 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccon1)c1ccon1 ZINC000349196870 456910636 /nfs/dbraw/zinc/91/06/36/456910636.db2.gz HIMSSXXZKCMZNW-ZIAGYGMSSA-N 2 2 326.400 3.364 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000339053152 456917776 /nfs/dbraw/zinc/91/77/76/456917776.db2.gz VCJCYFPPYIECEM-OXJNMPFZSA-N 2 2 337.467 3.369 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000339053152 456917777 /nfs/dbraw/zinc/91/77/77/456917777.db2.gz VCJCYFPPYIECEM-OXJNMPFZSA-N 2 2 337.467 3.369 20 0 EGADLP COCc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101993 456941130 /nfs/dbraw/zinc/94/11/30/456941130.db2.gz IILHIFYOXLLSHG-LEWJYISDSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101993 456941131 /nfs/dbraw/zinc/94/11/31/456941131.db2.gz IILHIFYOXLLSHG-LEWJYISDSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101993 456941132 /nfs/dbraw/zinc/94/11/32/456941132.db2.gz IILHIFYOXLLSHG-LEWJYISDSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cc1 ZINC000339101993 456941134 /nfs/dbraw/zinc/94/11/34/456941134.db2.gz IILHIFYOXLLSHG-LEWJYISDSA-N 2 2 339.483 3.353 20 0 EGADLP CN(CC[NH+](C)C)C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000341810266 456954503 /nfs/dbraw/zinc/95/45/03/456954503.db2.gz QKJXVTVTIBBMGQ-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353918274 456965174 /nfs/dbraw/zinc/96/51/74/456965174.db2.gz SXQZUZJMMKORKL-OALUTQOASA-N 2 2 327.472 3.269 20 0 EGADLP COc1cccc([C@@H](C[NH2+]CCCc2ccc(C)[nH+]c2)N(C)C)c1 ZINC000353925761 456968786 /nfs/dbraw/zinc/96/87/86/456968786.db2.gz FQSRJUKGRPARNG-HXUWFJFHSA-N 2 2 327.472 3.224 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccnn1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000353935999 456972188 /nfs/dbraw/zinc/97/21/88/456972188.db2.gz YUTUQFSPJLOAFT-LJQANCHMSA-N 2 2 326.488 3.391 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccnn1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000353935999 456972193 /nfs/dbraw/zinc/97/21/93/456972193.db2.gz YUTUQFSPJLOAFT-LJQANCHMSA-N 2 2 326.488 3.391 20 0 EGADLP CC[C@H](C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)[NH+](CC)CC ZINC000345779893 456993935 /nfs/dbraw/zinc/99/39/35/456993935.db2.gz DPLNSIXJLMYLJI-GOSISDBHSA-N 2 2 346.519 3.199 20 0 EGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353999267 456997017 /nfs/dbraw/zinc/99/70/17/456997017.db2.gz ZSPXQFLXFAXURG-VEHMJYNQSA-N 2 2 337.552 3.120 20 0 EGADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353999267 456997023 /nfs/dbraw/zinc/99/70/23/456997023.db2.gz ZSPXQFLXFAXURG-VEHMJYNQSA-N 2 2 337.552 3.120 20 0 EGADLP COC[C@H]1CCCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917174 457000232 /nfs/dbraw/zinc/00/02/32/457000232.db2.gz XNOGUMIMTRKHRY-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@H]1CCCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917174 457000237 /nfs/dbraw/zinc/00/02/37/457000237.db2.gz XNOGUMIMTRKHRY-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@H]1CCCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917174 457000243 /nfs/dbraw/zinc/00/02/43/457000243.db2.gz XNOGUMIMTRKHRY-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@H]1CCCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917174 457000247 /nfs/dbraw/zinc/00/02/47/457000247.db2.gz XNOGUMIMTRKHRY-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)s1 ZINC000354009471 457006130 /nfs/dbraw/zinc/00/61/30/457006130.db2.gz MNJPORCJEFWTDH-SFHVURJKSA-N 2 2 345.512 3.198 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000349806290 457059332 /nfs/dbraw/zinc/05/93/32/457059332.db2.gz YTWBYWMPILMGRL-UHFFFAOYSA-N 2 2 328.460 3.428 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000339358370 457065601 /nfs/dbraw/zinc/06/56/01/457065601.db2.gz GTTAEZRBIOAMBE-CEXWTWQISA-N 2 2 349.563 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000339358370 457065604 /nfs/dbraw/zinc/06/56/04/457065604.db2.gz GTTAEZRBIOAMBE-CEXWTWQISA-N 2 2 349.563 3.077 20 0 EGADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CN1C(C)=O ZINC000354127304 457081562 /nfs/dbraw/zinc/08/15/62/457081562.db2.gz OAPFFJQWEOEXRV-OALUTQOASA-N 2 2 340.471 3.094 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](CC)CN1C(C)=O ZINC000354127304 457081565 /nfs/dbraw/zinc/08/15/65/457081565.db2.gz OAPFFJQWEOEXRV-OALUTQOASA-N 2 2 340.471 3.094 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129443 457082661 /nfs/dbraw/zinc/08/26/61/457082661.db2.gz CYGXQMNQAWUUGF-GPMSIDNRSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129443 457082668 /nfs/dbraw/zinc/08/26/68/457082668.db2.gz CYGXQMNQAWUUGF-GPMSIDNRSA-N 2 2 325.456 3.348 20 0 EGADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccsc1 ZINC000359683562 457112449 /nfs/dbraw/zinc/11/24/49/457112449.db2.gz YPGAIZWYHJIXTQ-IBGZPJMESA-N 2 2 344.528 3.000 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@@H+]1C1CC1 ZINC000346697057 457117839 /nfs/dbraw/zinc/11/78/39/457117839.db2.gz ZUVAZYVGVQWRMQ-QWHCGFSZSA-N 2 2 334.414 3.189 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@H+]1C1CC1 ZINC000346697057 457117846 /nfs/dbraw/zinc/11/78/46/457117846.db2.gz ZUVAZYVGVQWRMQ-QWHCGFSZSA-N 2 2 334.414 3.189 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438944 457120190 /nfs/dbraw/zinc/12/01/90/457120190.db2.gz XGHCDTRWATZJRO-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438944 457120193 /nfs/dbraw/zinc/12/01/93/457120193.db2.gz XGHCDTRWATZJRO-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438944 457120199 /nfs/dbraw/zinc/12/01/99/457120199.db2.gz XGHCDTRWATZJRO-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000339438944 457120203 /nfs/dbraw/zinc/12/02/03/457120203.db2.gz XGHCDTRWATZJRO-SFHVURJKSA-N 2 2 346.862 3.308 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]21 ZINC000342127155 457123312 /nfs/dbraw/zinc/12/33/12/457123312.db2.gz LUTLUPSTFNEKTF-QXAKKESOSA-N 2 2 341.524 3.488 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]21 ZINC000342127155 457123318 /nfs/dbraw/zinc/12/33/18/457123318.db2.gz LUTLUPSTFNEKTF-QXAKKESOSA-N 2 2 341.524 3.488 20 0 EGADLP CS[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(C)(C)C ZINC000342159920 457141386 /nfs/dbraw/zinc/14/13/86/457141386.db2.gz KJXOJNOTVRXBHR-CQSZACIVSA-N 2 2 342.472 3.400 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000356759977 457154313 /nfs/dbraw/zinc/15/43/13/457154313.db2.gz NKBDGQMBERCGRJ-MRXNPFEDSA-N 2 2 342.487 3.057 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590272 457158552 /nfs/dbraw/zinc/15/85/52/457158552.db2.gz HYHVVQZGGUUEEX-GMBSWORKSA-N 2 2 333.545 3.226 20 0 EGADLP CSc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590272 457158559 /nfs/dbraw/zinc/15/85/59/457158559.db2.gz HYHVVQZGGUUEEX-GMBSWORKSA-N 2 2 333.545 3.226 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1C ZINC000362958917 457175621 /nfs/dbraw/zinc/17/56/21/457175621.db2.gz UBWYWCJTEBPMLG-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nn1C ZINC000362958917 457175625 /nfs/dbraw/zinc/17/56/25/457175625.db2.gz UBWYWCJTEBPMLG-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nn1C ZINC000362958917 457175630 /nfs/dbraw/zinc/17/56/30/457175630.db2.gz UBWYWCJTEBPMLG-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nn1C ZINC000362958917 457175632 /nfs/dbraw/zinc/17/56/32/457175632.db2.gz UBWYWCJTEBPMLG-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000354402038 457200154 /nfs/dbraw/zinc/20/01/54/457200154.db2.gz UMJBEWHJESVVCL-NSISKUIASA-N 2 2 337.467 3.028 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)C1 ZINC000354402038 457200161 /nfs/dbraw/zinc/20/01/61/457200161.db2.gz UMJBEWHJESVVCL-NSISKUIASA-N 2 2 337.467 3.028 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347057488 457209264 /nfs/dbraw/zinc/20/92/64/457209264.db2.gz WBLIWUCUPHJOGB-IUODEOHRSA-N 2 2 341.293 3.407 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347057488 457209269 /nfs/dbraw/zinc/20/92/69/457209269.db2.gz WBLIWUCUPHJOGB-IUODEOHRSA-N 2 2 341.293 3.407 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000360046724 457223216 /nfs/dbraw/zinc/22/32/16/457223216.db2.gz YNCOKIRORLONDT-UHFFFAOYSA-N 2 2 349.438 3.256 20 0 EGADLP CCCOc1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347088938 457225216 /nfs/dbraw/zinc/22/52/16/457225216.db2.gz NMLKETWWTCETMI-FQEVSTJZSA-N 2 2 342.439 3.403 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000347088938 457225220 /nfs/dbraw/zinc/22/52/20/457225220.db2.gz NMLKETWWTCETMI-FQEVSTJZSA-N 2 2 342.439 3.403 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc(O)c2n1 ZINC000347114917 457237146 /nfs/dbraw/zinc/23/71/46/457237146.db2.gz BQNVEIRXYAWLLW-KRWDZBQOSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1ccc2c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)ccc(O)c2n1 ZINC000347114917 457237152 /nfs/dbraw/zinc/23/71/52/457237152.db2.gz BQNVEIRXYAWLLW-KRWDZBQOSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852785 457261638 /nfs/dbraw/zinc/26/16/38/457261638.db2.gz WPYQBBDVOOHSGF-RDJZCZTQSA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852785 457261644 /nfs/dbraw/zinc/26/16/44/457261644.db2.gz WPYQBBDVOOHSGF-RDJZCZTQSA-N 2 2 339.439 3.395 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1)CC1CC1 ZINC000357020123 457280982 /nfs/dbraw/zinc/28/09/82/457280982.db2.gz NFKJRBNUDYCJSL-UHFFFAOYSA-N 2 2 344.503 3.178 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1)CC1CC1 ZINC000357020123 457280987 /nfs/dbraw/zinc/28/09/87/457280987.db2.gz NFKJRBNUDYCJSL-UHFFFAOYSA-N 2 2 344.503 3.178 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)s1 ZINC000342411572 457289094 /nfs/dbraw/zinc/28/90/94/457289094.db2.gz CKILOZWSKCTMKM-NVXWUHKLSA-N 2 2 331.485 3.215 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1COc2cccc(Cl)c21 ZINC000342418154 457292257 /nfs/dbraw/zinc/29/22/57/457292257.db2.gz OHLUCXIEJXHMNI-INIZCTEOSA-N 2 2 340.814 3.452 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845816 457308226 /nfs/dbraw/zinc/30/82/26/457308226.db2.gz JISGDVQVCXPTLE-CHWSQXEVSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(Br)c2)C1 ZINC000339845816 457308231 /nfs/dbraw/zinc/30/82/31/457308231.db2.gz JISGDVQVCXPTLE-CHWSQXEVSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000339845816 457308237 /nfs/dbraw/zinc/30/82/37/457308237.db2.gz JISGDVQVCXPTLE-CHWSQXEVSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000339845816 457308242 /nfs/dbraw/zinc/30/82/42/457308242.db2.gz JISGDVQVCXPTLE-CHWSQXEVSA-N 2 2 329.307 3.427 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357098287 457321247 /nfs/dbraw/zinc/32/12/47/457321247.db2.gz AHSDEYWTVNYWQT-HOTGVXAUSA-N 2 2 344.890 3.184 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357098287 457321252 /nfs/dbraw/zinc/32/12/52/457321252.db2.gz AHSDEYWTVNYWQT-HOTGVXAUSA-N 2 2 344.890 3.184 20 0 EGADLP CCc1nc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(C)[nH+]1 ZINC000342480306 457327055 /nfs/dbraw/zinc/32/70/55/457327055.db2.gz NKFYGFGQBIGIQV-CALCHBBNSA-N 2 2 346.519 3.063 20 0 EGADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cn2cc[nH+]c12 ZINC000355400424 457370069 /nfs/dbraw/zinc/37/00/69/457370069.db2.gz HLQXABQVOONHKX-HNNXBMFYSA-N 2 2 334.423 3.028 20 0 EGADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cn2cc[nH+]c12 ZINC000355400424 457370075 /nfs/dbraw/zinc/37/00/75/457370075.db2.gz HLQXABQVOONHKX-HNNXBMFYSA-N 2 2 334.423 3.028 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389805168 457435794 /nfs/dbraw/zinc/43/57/94/457435794.db2.gz AHYXLPOVVWZHNL-SGZDXZSOSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389805168 457435801 /nfs/dbraw/zinc/43/58/01/457435801.db2.gz AHYXLPOVVWZHNL-SGZDXZSOSA-N 2 2 344.499 3.218 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352526716 457439690 /nfs/dbraw/zinc/43/96/90/457439690.db2.gz QYTMTSFCDRQRIM-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352526716 457439694 /nfs/dbraw/zinc/43/96/94/457439694.db2.gz QYTMTSFCDRQRIM-INIZCTEOSA-N 2 2 339.277 3.033 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425108783 457440544 /nfs/dbraw/zinc/44/05/44/457440544.db2.gz QXKQKYDYTFYZHA-UHFFFAOYSA-N 2 2 336.439 3.432 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425108783 457440552 /nfs/dbraw/zinc/44/05/52/457440552.db2.gz QXKQKYDYTFYZHA-UHFFFAOYSA-N 2 2 336.439 3.432 20 0 EGADLP C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@@H]1CCCC[NH2+]1 ZINC000395169377 457476457 /nfs/dbraw/zinc/47/64/57/457476457.db2.gz VVLXISGVEJNSDM-NHYWBVRUSA-N 2 2 339.277 3.004 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230773 457476554 /nfs/dbraw/zinc/47/65/54/457476554.db2.gz VRLYTEUUSZSCPS-CEWLAPEOSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395230773 457476558 /nfs/dbraw/zinc/47/65/58/457476558.db2.gz VRLYTEUUSZSCPS-CEWLAPEOSA-N 3 2 329.532 3.409 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1)CC1CC1 ZINC000347539921 457495624 /nfs/dbraw/zinc/49/56/24/457495624.db2.gz MEFITFKWMXJJDU-UHFFFAOYSA-N 2 2 331.508 3.016 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1)CC1CC1 ZINC000347539921 457495628 /nfs/dbraw/zinc/49/56/28/457495628.db2.gz MEFITFKWMXJJDU-UHFFFAOYSA-N 2 2 331.508 3.016 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1C ZINC000425342015 457506060 /nfs/dbraw/zinc/50/60/60/457506060.db2.gz YBVITNKDYDYTBI-UHFFFAOYSA-N 2 2 330.451 3.080 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)n1C ZINC000425340640 457506678 /nfs/dbraw/zinc/50/66/78/457506678.db2.gz FCYYDWXEZDVNRC-OAHLLOKOSA-N 2 2 330.451 3.395 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)n1C ZINC000425340640 457506683 /nfs/dbraw/zinc/50/66/83/457506683.db2.gz FCYYDWXEZDVNRC-OAHLLOKOSA-N 2 2 330.451 3.395 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)n1C ZINC000425343541 457506725 /nfs/dbraw/zinc/50/67/25/457506725.db2.gz SAGHOKLFSDIFOD-UHFFFAOYSA-N 2 2 348.441 3.219 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000361008153 457507119 /nfs/dbraw/zinc/50/71/19/457507119.db2.gz KBRCQVWLIQRDPO-UHFFFAOYSA-N 2 2 333.819 3.113 20 0 EGADLP C[C@H](C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000400369438 457513185 /nfs/dbraw/zinc/51/31/85/457513185.db2.gz SWUBMSVEDLTEQL-HUUCEWRRSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000400369438 457513193 /nfs/dbraw/zinc/51/31/93/457513193.db2.gz SWUBMSVEDLTEQL-HUUCEWRRSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779060 457519519 /nfs/dbraw/zinc/51/95/19/457519519.db2.gz NPUAAVVTFQUQBO-APWZRJJASA-N 2 2 338.499 3.384 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342779060 457519527 /nfs/dbraw/zinc/51/95/27/457519527.db2.gz NPUAAVVTFQUQBO-APWZRJJASA-N 2 2 338.499 3.384 20 0 EGADLP C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210319 457527987 /nfs/dbraw/zinc/52/79/87/457527987.db2.gz ZGQSIPDOITWVFZ-FGTMMUONSA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)C1 ZINC000364210319 457527991 /nfs/dbraw/zinc/52/79/91/457527991.db2.gz ZGQSIPDOITWVFZ-FGTMMUONSA-N 2 2 349.563 3.124 20 0 EGADLP COC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000352709522 457549015 /nfs/dbraw/zinc/54/90/15/457549015.db2.gz CPTVRLZCWXBXDO-HNNXBMFYSA-N 2 2 339.892 3.335 20 0 EGADLP COc1c(O)cccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000352715897 457553029 /nfs/dbraw/zinc/55/30/29/457553029.db2.gz HDFJKVXKPUQVQM-IRXDYDNUSA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000352715897 457553036 /nfs/dbraw/zinc/55/30/36/457553036.db2.gz HDFJKVXKPUQVQM-IRXDYDNUSA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000352715897 457553043 /nfs/dbraw/zinc/55/30/43/457553043.db2.gz HDFJKVXKPUQVQM-IRXDYDNUSA-N 2 2 332.488 3.487 20 0 EGADLP COc1c(O)cccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000352715897 457553048 /nfs/dbraw/zinc/55/30/48/457553048.db2.gz HDFJKVXKPUQVQM-IRXDYDNUSA-N 2 2 332.488 3.487 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)s1 ZINC000352736992 457570856 /nfs/dbraw/zinc/57/08/56/457570856.db2.gz IHBDMRHGGZACMO-UHFFFAOYSA-N 2 2 334.489 3.067 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744933 457576105 /nfs/dbraw/zinc/57/61/05/457576105.db2.gz FYXJTYYLNPZOBZ-BONVTDFDSA-N 2 2 327.241 3.161 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744933 457576106 /nfs/dbraw/zinc/57/61/06/457576106.db2.gz FYXJTYYLNPZOBZ-BONVTDFDSA-N 2 2 327.241 3.161 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425920 457625123 /nfs/dbraw/zinc/62/51/23/457625123.db2.gz APDZOWLLTFRPQN-KZNAEPCWSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425920 457625129 /nfs/dbraw/zinc/62/51/29/457625129.db2.gz APDZOWLLTFRPQN-KZNAEPCWSA-N 2 2 341.455 3.025 20 0 EGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650512 457639530 /nfs/dbraw/zinc/63/95/30/457639530.db2.gz OMVNQEBGTYJEMQ-CYBMUJFWSA-N 2 2 346.393 3.035 20 0 EGADLP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650512 457639534 /nfs/dbraw/zinc/63/95/34/457639534.db2.gz OMVNQEBGTYJEMQ-CYBMUJFWSA-N 2 2 346.393 3.035 20 0 EGADLP CC(C)[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479133 457657927 /nfs/dbraw/zinc/65/79/27/457657927.db2.gz YZFHRCLFOULDSV-BVSLBCMMSA-N 2 2 343.559 3.384 20 0 EGADLP CC(C)[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479133 457657930 /nfs/dbraw/zinc/65/79/30/457657930.db2.gz YZFHRCLFOULDSV-BVSLBCMMSA-N 2 2 343.559 3.384 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361292106 457681532 /nfs/dbraw/zinc/68/15/32/457681532.db2.gz XXPPJGZFRZOERJ-UYAOXDASSA-N 2 2 346.515 3.200 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794916 457692303 /nfs/dbraw/zinc/69/23/03/457692303.db2.gz ODKHQKJLZNHFIC-IEBWSBKVSA-N 2 2 334.504 3.401 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794916 457692305 /nfs/dbraw/zinc/69/23/05/457692305.db2.gz ODKHQKJLZNHFIC-IEBWSBKVSA-N 2 2 334.504 3.401 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357799936 457694580 /nfs/dbraw/zinc/69/45/80/457694580.db2.gz SOENBLBBMOFSGW-QGZVFWFLSA-N 2 2 342.462 3.244 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357799936 457694582 /nfs/dbraw/zinc/69/45/82/457694582.db2.gz SOENBLBBMOFSGW-QGZVFWFLSA-N 2 2 342.462 3.244 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000361328288 457694872 /nfs/dbraw/zinc/69/48/72/457694872.db2.gz JYKJEJXYNQZHAV-CRAIPNDOSA-N 2 2 337.458 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000361328288 457694869 /nfs/dbraw/zinc/69/48/69/457694869.db2.gz JYKJEJXYNQZHAV-CRAIPNDOSA-N 2 2 337.458 3.141 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000361373149 457710272 /nfs/dbraw/zinc/71/02/72/457710272.db2.gz ARNPYFDYGXKVSI-UPCLLVRISA-N 2 2 347.528 3.358 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000361373149 457710276 /nfs/dbraw/zinc/71/02/76/457710276.db2.gz ARNPYFDYGXKVSI-UPCLLVRISA-N 2 2 347.528 3.358 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000357896271 457726629 /nfs/dbraw/zinc/72/66/29/457726629.db2.gz VASGKOVLZMFYNM-KRWDZBQOSA-N 2 2 340.471 3.031 20 0 EGADLP CCS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361440495 457732994 /nfs/dbraw/zinc/73/29/94/457732994.db2.gz OQATXIBADALQIX-IRXDYDNUSA-N 2 2 342.549 3.058 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000361442231 457733772 /nfs/dbraw/zinc/73/37/72/457733772.db2.gz ZMGWJZHLKMDJTR-MRXNPFEDSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000361442231 457733776 /nfs/dbraw/zinc/73/37/76/457733776.db2.gz ZMGWJZHLKMDJTR-MRXNPFEDSA-N 2 2 333.442 3.010 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001068 457736337 /nfs/dbraw/zinc/73/63/37/457736337.db2.gz DAFJRBWNILEEFO-JXFKEZNVSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001068 457736340 /nfs/dbraw/zinc/73/63/40/457736340.db2.gz DAFJRBWNILEEFO-JXFKEZNVSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358013303 457739101 /nfs/dbraw/zinc/73/91/01/457739101.db2.gz AHPLLBREJUXSIY-CHWSQXEVSA-N 2 2 327.350 3.490 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365311924 457741377 /nfs/dbraw/zinc/74/13/77/457741377.db2.gz USMSORASIOYDTA-UHFFFAOYSA-N 2 2 334.508 3.080 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000361471638 457743585 /nfs/dbraw/zinc/74/35/85/457743585.db2.gz SIEOOPKSRLNCFC-ZFWWWQNUSA-N 2 2 346.393 3.083 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000361471638 457743590 /nfs/dbraw/zinc/74/35/90/457743590.db2.gz SIEOOPKSRLNCFC-ZFWWWQNUSA-N 2 2 346.393 3.083 20 0 EGADLP Cn1c(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]c2cccc(F)c21 ZINC000443403271 457758821 /nfs/dbraw/zinc/75/88/21/457758821.db2.gz AFGDRTIJUVAWQX-UHFFFAOYSA-N 2 2 338.430 3.211 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358087976 457779131 /nfs/dbraw/zinc/77/91/31/457779131.db2.gz RFUVCZDCFHDDNM-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358087976 457779139 /nfs/dbraw/zinc/77/91/39/457779139.db2.gz RFUVCZDCFHDDNM-AEFFLSMTSA-N 2 2 332.488 3.361 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000371091063 457785679 /nfs/dbraw/zinc/78/56/79/457785679.db2.gz XECPCVDCKNJZRS-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000371091063 457785686 /nfs/dbraw/zinc/78/56/86/457785686.db2.gz XECPCVDCKNJZRS-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP OCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(F)c1 ZINC000426378605 457817080 /nfs/dbraw/zinc/81/70/80/457817080.db2.gz MIAJDRVEGWZWGA-UHFFFAOYSA-N 2 2 331.416 3.067 20 0 EGADLP OCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(F)c1 ZINC000426378605 457817088 /nfs/dbraw/zinc/81/70/88/457817088.db2.gz MIAJDRVEGWZWGA-UHFFFAOYSA-N 2 2 331.416 3.067 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749385 457831130 /nfs/dbraw/zinc/83/11/30/457831130.db2.gz DQBMESCROJVFFV-XEZPLFJOSA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000361749385 457831136 /nfs/dbraw/zinc/83/11/36/457831136.db2.gz DQBMESCROJVFFV-XEZPLFJOSA-N 2 2 347.894 3.362 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1Cl ZINC000444000514 457838734 /nfs/dbraw/zinc/83/87/34/457838734.db2.gz GVOXYIKSGJZLDQ-MOPGFXCFSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1Cl ZINC000444000514 457838739 /nfs/dbraw/zinc/83/87/39/457838739.db2.gz GVOXYIKSGJZLDQ-MOPGFXCFSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000411256021 457842473 /nfs/dbraw/zinc/84/24/73/457842473.db2.gz HPQQHEKSCFOLJI-SFHVURJKSA-N 2 2 339.483 3.087 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(N)c2ccccc2n1 ZINC000411550325 457917609 /nfs/dbraw/zinc/91/76/09/457917609.db2.gz KGRQEFAVTFIJAP-RDJZCZTQSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1nc2c(s1)CCCC2 ZINC000358305520 457923043 /nfs/dbraw/zinc/92/30/43/457923043.db2.gz VFIQJGIHDFGZBX-IAOVAPTHSA-N 2 2 349.544 3.050 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876087 457923440 /nfs/dbraw/zinc/92/34/40/457923440.db2.gz CQBRCLOGBJEZCG-UZLBHIALSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876087 457923446 /nfs/dbraw/zinc/92/34/46/457923446.db2.gz CQBRCLOGBJEZCG-UZLBHIALSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888967 457933208 /nfs/dbraw/zinc/93/32/08/457933208.db2.gz MVPQHDPDGUBFES-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000361888967 457933213 /nfs/dbraw/zinc/93/32/13/457933213.db2.gz MVPQHDPDGUBFES-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891791 457934637 /nfs/dbraw/zinc/93/46/37/457934637.db2.gz YNGFMNDUXQFKQD-YTQUADARSA-N 2 2 328.456 3.122 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000361891791 457934643 /nfs/dbraw/zinc/93/46/43/457934643.db2.gz YNGFMNDUXQFKQD-YTQUADARSA-N 2 2 328.456 3.122 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427129032 457947605 /nfs/dbraw/zinc/94/76/05/457947605.db2.gz SMJBFYOEGMJZGY-PZJWPPBQSA-N 2 2 338.499 3.040 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427129032 457947608 /nfs/dbraw/zinc/94/76/08/457947608.db2.gz SMJBFYOEGMJZGY-PZJWPPBQSA-N 2 2 338.499 3.040 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468809 457948473 /nfs/dbraw/zinc/94/84/73/457948473.db2.gz BJESEUPUMTXLOJ-XOKHGSTOSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)c(Cl)c1 ZINC000371468809 457948479 /nfs/dbraw/zinc/94/84/79/457948479.db2.gz BJESEUPUMTXLOJ-XOKHGSTOSA-N 2 2 326.843 3.163 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358412036 457986988 /nfs/dbraw/zinc/98/69/88/457986988.db2.gz ZOVCIJKBSUWXKY-DGCLKSJQSA-N 2 2 327.266 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358412036 457986991 /nfs/dbraw/zinc/98/69/91/457986991.db2.gz ZOVCIJKBSUWXKY-DGCLKSJQSA-N 2 2 327.266 3.030 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1F ZINC000427838729 458042737 /nfs/dbraw/zinc/04/27/37/458042737.db2.gz CHQZNURZKOAJJI-CMPLNLGQSA-N 2 2 338.224 3.450 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434797089 458054135 /nfs/dbraw/zinc/05/41/35/458054135.db2.gz WQVGTQRPLMOHRC-LEOMRAHMSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434797089 458054141 /nfs/dbraw/zinc/05/41/41/458054141.db2.gz WQVGTQRPLMOHRC-LEOMRAHMSA-N 2 2 336.520 3.493 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037653 458068968 /nfs/dbraw/zinc/06/89/68/458068968.db2.gz KQDHIJCSQXDHMW-YLJYHZDGSA-N 2 2 341.499 3.036 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N(c1ccccc1)C1CCCCC1 ZINC000428037653 458068976 /nfs/dbraw/zinc/06/89/76/458068976.db2.gz KQDHIJCSQXDHMW-YLJYHZDGSA-N 2 2 341.499 3.036 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032181 458069222 /nfs/dbraw/zinc/06/92/22/458069222.db2.gz JJFVEUVOLSPRBQ-CZUORRHYSA-N 2 2 346.272 3.181 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032181 458069232 /nfs/dbraw/zinc/06/92/32/458069232.db2.gz JJFVEUVOLSPRBQ-CZUORRHYSA-N 2 2 346.272 3.181 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000362281361 458076131 /nfs/dbraw/zinc/07/61/31/458076131.db2.gz OPTGAXJYAWMFFF-UHFFFAOYSA-N 2 2 337.423 3.090 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(C)n1-c1ccccc1)CCC2 ZINC000371901825 458113218 /nfs/dbraw/zinc/11/32/18/458113218.db2.gz FIMRTUNRZGDOHR-QGZVFWFLSA-N 2 2 335.455 3.353 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376042 458126939 /nfs/dbraw/zinc/12/69/39/458126939.db2.gz YEYOMRJBHWBXCK-VXGBXAGGSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376042 458126942 /nfs/dbraw/zinc/12/69/42/458126942.db2.gz YEYOMRJBHWBXCK-VXGBXAGGSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000435378989 458128146 /nfs/dbraw/zinc/12/81/46/458128146.db2.gz HHCZDPDZBCIDER-XOKHGSTOSA-N 2 2 338.879 3.067 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000435378989 458128153 /nfs/dbraw/zinc/12/81/53/458128153.db2.gz HHCZDPDZBCIDER-XOKHGSTOSA-N 2 2 338.879 3.067 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383769 458130247 /nfs/dbraw/zinc/13/02/47/458130247.db2.gz JTTIKIHFIUEEGF-JSGCOSHPSA-N 2 2 346.393 3.338 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383769 458130252 /nfs/dbraw/zinc/13/02/52/458130252.db2.gz JTTIKIHFIUEEGF-JSGCOSHPSA-N 2 2 346.393 3.338 20 0 EGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000435385368 458132130 /nfs/dbraw/zinc/13/21/30/458132130.db2.gz PWVJZBGUSLRDKP-RBUKOAKNSA-N 2 2 340.467 3.300 20 0 EGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000435385368 458132135 /nfs/dbraw/zinc/13/21/35/458132135.db2.gz PWVJZBGUSLRDKP-RBUKOAKNSA-N 2 2 340.467 3.300 20 0 EGADLP C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]CC1 ZINC000435435853 458146545 /nfs/dbraw/zinc/14/65/45/458146545.db2.gz COLNPJIJUWIWQD-HNNXBMFYSA-N 2 2 345.468 3.113 20 0 EGADLP C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]CC1 ZINC000435435853 458146552 /nfs/dbraw/zinc/14/65/52/458146552.db2.gz COLNPJIJUWIWQD-HNNXBMFYSA-N 2 2 345.468 3.113 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617920 458173518 /nfs/dbraw/zinc/17/35/18/458173518.db2.gz REAQDFMTNOXLNW-OXQOHEQNSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000435617920 458173521 /nfs/dbraw/zinc/17/35/21/458173521.db2.gz REAQDFMTNOXLNW-OXQOHEQNSA-N 2 2 339.483 3.091 20 0 EGADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435622235 458174474 /nfs/dbraw/zinc/17/44/74/458174474.db2.gz CIFFGDXCAZNCCX-PZJWPPBQSA-N 2 2 343.515 3.108 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435622235 458174482 /nfs/dbraw/zinc/17/44/82/458174482.db2.gz CIFFGDXCAZNCCX-PZJWPPBQSA-N 2 2 343.515 3.108 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435732601 458193299 /nfs/dbraw/zinc/19/32/99/458193299.db2.gz PXFYTSDMHKFINV-OAHLLOKOSA-N 2 2 349.475 3.081 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1cccc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435732601 458193306 /nfs/dbraw/zinc/19/33/06/458193306.db2.gz PXFYTSDMHKFINV-OAHLLOKOSA-N 2 2 349.475 3.081 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000459059895 458255090 /nfs/dbraw/zinc/25/50/90/458255090.db2.gz NUGCVMSXOFPXRG-INIZCTEOSA-N 2 2 349.523 3.308 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065489 458257922 /nfs/dbraw/zinc/25/79/22/458257922.db2.gz UBPQXGJWSDSZHQ-IKGGRYGDSA-N 2 2 349.523 3.164 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000369627914 458294910 /nfs/dbraw/zinc/29/49/10/458294910.db2.gz DPSRUCYIELCSLX-SJORKVTESA-N 2 2 327.476 3.323 20 0 EGADLP Cc1cccn2c(CN[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c[nH+]c12 ZINC000414895114 458326434 /nfs/dbraw/zinc/32/64/34/458326434.db2.gz MIEAOJMCAYRXDC-RTBURBONSA-N 2 2 338.430 3.017 20 0 EGADLP Oc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000459322591 458329032 /nfs/dbraw/zinc/32/90/32/458329032.db2.gz HOEHXENJPYTRIR-LBPRGKRZSA-N 2 2 336.233 3.257 20 0 EGADLP Oc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1Br ZINC000459322591 458329037 /nfs/dbraw/zinc/32/90/37/458329037.db2.gz HOEHXENJPYTRIR-LBPRGKRZSA-N 2 2 336.233 3.257 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000447728060 458334878 /nfs/dbraw/zinc/33/48/78/458334878.db2.gz KMBLEPLZFCSQCD-APWZRJJASA-N 2 2 335.923 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000447728060 458334883 /nfs/dbraw/zinc/33/48/83/458334883.db2.gz KMBLEPLZFCSQCD-APWZRJJASA-N 2 2 335.923 3.106 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376555638 458337102 /nfs/dbraw/zinc/33/71/02/458337102.db2.gz VXNHZHKPIKKGHG-LJQANCHMSA-N 2 2 340.423 3.336 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376555638 458337108 /nfs/dbraw/zinc/33/71/08/458337108.db2.gz VXNHZHKPIKKGHG-LJQANCHMSA-N 2 2 340.423 3.336 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531085 458340100 /nfs/dbraw/zinc/34/01/00/458340100.db2.gz AANKUISAFCGLJN-DOTOQJQBSA-N 2 2 349.544 3.000 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531085 458340104 /nfs/dbraw/zinc/34/01/04/458340104.db2.gz AANKUISAFCGLJN-DOTOQJQBSA-N 2 2 349.544 3.000 20 0 EGADLP CC(C[NH+]1CCO[C@H](C(C)(C)C)C1)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447844817 458354443 /nfs/dbraw/zinc/35/44/43/458354443.db2.gz RRJVVOAKZUVGNH-ROUUACIJSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C[NH+]1CCO[C@H](C(C)(C)C)C1)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447844817 458354446 /nfs/dbraw/zinc/35/44/46/458354446.db2.gz RRJVVOAKZUVGNH-ROUUACIJSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C)(C)C[N@H+](CCCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429692116 458358641 /nfs/dbraw/zinc/35/86/41/458358641.db2.gz ZKECHDIORPMNOQ-HXUWFJFHSA-N 2 2 348.531 3.008 20 0 EGADLP CC(C)(C)C[N@@H+](CCCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429692116 458358644 /nfs/dbraw/zinc/35/86/44/458358644.db2.gz ZKECHDIORPMNOQ-HXUWFJFHSA-N 2 2 348.531 3.008 20 0 EGADLP CC(C)(C)C[NH+](CCCO)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429692116 458358648 /nfs/dbraw/zinc/35/86/48/458358648.db2.gz ZKECHDIORPMNOQ-HXUWFJFHSA-N 2 2 348.531 3.008 20 0 EGADLP CC(C)(C)C[NH+](CCCO)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429692116 458358651 /nfs/dbraw/zinc/35/86/51/458358651.db2.gz ZKECHDIORPMNOQ-HXUWFJFHSA-N 2 2 348.531 3.008 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000459435934 458369851 /nfs/dbraw/zinc/36/98/51/458369851.db2.gz XVQOZTCWZQDBGG-STQMWFEESA-N 2 2 327.266 3.117 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436746 458371276 /nfs/dbraw/zinc/37/12/76/458371276.db2.gz ZHUFLXHCQLWCAG-JXFKEZNVSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436746 458371280 /nfs/dbraw/zinc/37/12/80/458371280.db2.gz ZHUFLXHCQLWCAG-JXFKEZNVSA-N 2 2 336.483 3.354 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)c1 ZINC000459440999 458372199 /nfs/dbraw/zinc/37/21/99/458372199.db2.gz KERWSHDVXKKROR-MSOLQXFVSA-N 2 2 340.870 3.255 20 0 EGADLP C[NH+](C)CC1(C[NH2+]Cc2cccc(O)c2Br)CCCC1 ZINC000459477664 458386837 /nfs/dbraw/zinc/38/68/37/458386837.db2.gz JKBIVBBIEHEWHK-UHFFFAOYSA-N 2 2 341.293 3.366 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067635 458389980 /nfs/dbraw/zinc/38/99/80/458389980.db2.gz BVYBSZLEIUQTHA-UKRRQHHQSA-N 2 2 348.384 3.329 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067635 458389985 /nfs/dbraw/zinc/38/99/85/458389985.db2.gz BVYBSZLEIUQTHA-UKRRQHHQSA-N 2 2 348.384 3.329 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1-c1ccccc1 ZINC000430132962 458406665 /nfs/dbraw/zinc/40/66/65/458406665.db2.gz DGOMPXLPCLHKFK-CBGDNZLLSA-N 2 2 338.499 3.343 20 0 EGADLP Cc1[nH+]cc(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1-c1ccccc1 ZINC000430132962 458406667 /nfs/dbraw/zinc/40/66/67/458406667.db2.gz DGOMPXLPCLHKFK-CBGDNZLLSA-N 2 2 338.499 3.343 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000459553799 458409710 /nfs/dbraw/zinc/40/97/10/458409710.db2.gz ZKJYPGLYWWGGRG-AWEZNQCLSA-N 2 2 341.484 3.305 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000459553799 458409716 /nfs/dbraw/zinc/40/97/16/458409716.db2.gz ZKJYPGLYWWGGRG-AWEZNQCLSA-N 2 2 341.484 3.305 20 0 EGADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CCO1 ZINC000430227241 458424162 /nfs/dbraw/zinc/42/41/62/458424162.db2.gz OFZKDDKFDCGXAX-KRWDZBQOSA-N 2 2 328.500 3.251 20 0 EGADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CCO1 ZINC000430227241 458424165 /nfs/dbraw/zinc/42/41/65/458424165.db2.gz OFZKDDKFDCGXAX-KRWDZBQOSA-N 2 2 328.500 3.251 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000423431288 458431454 /nfs/dbraw/zinc/43/14/54/458431454.db2.gz QINYDTJFRXBNDZ-HQRMLTQVSA-N 2 2 344.499 3.365 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000423509766 458447955 /nfs/dbraw/zinc/44/79/55/458447955.db2.gz JGGXMYMBQIDGHY-RBUKOAKNSA-N 2 2 347.865 3.062 20 0 EGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423519909 458450378 /nfs/dbraw/zinc/45/03/78/458450378.db2.gz JRWNSPFEGYIUDV-YJBOKZPZSA-N 2 2 326.440 3.001 20 0 EGADLP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526172 458451803 /nfs/dbraw/zinc/45/18/03/458451803.db2.gz UYVCZUOEEPGHPR-CVEARBPZSA-N 2 2 329.410 3.040 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423527125 458452348 /nfs/dbraw/zinc/45/23/48/458452348.db2.gz RFNFPZGLZJCSQQ-MGPUTAFESA-N 2 2 344.430 3.044 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423548121 458456308 /nfs/dbraw/zinc/45/63/08/458456308.db2.gz DQRBZHDYBZPMBF-FUHWJXTLSA-N 2 2 332.488 3.084 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H]1C[NH3+] ZINC000430553098 458459181 /nfs/dbraw/zinc/45/91/81/458459181.db2.gz CMONHUYJRIRBIO-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H]1C[NH3+] ZINC000430553098 458459185 /nfs/dbraw/zinc/45/91/85/458459185.db2.gz CMONHUYJRIRBIO-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP C[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)CC(C)(C)C[NH3+] ZINC000430553608 458459879 /nfs/dbraw/zinc/45/98/79/458459879.db2.gz DLMNAIPIWRAKGP-IBGZPJMESA-N 2 2 349.494 3.090 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)CC(C)(C)C[NH3+] ZINC000430553608 458459883 /nfs/dbraw/zinc/45/98/83/458459883.db2.gz DLMNAIPIWRAKGP-IBGZPJMESA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577391 458465434 /nfs/dbraw/zinc/46/54/34/458465434.db2.gz UQMSWNXDIJOQKT-OALUTQOASA-N 2 2 331.504 3.045 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000430577391 458465439 /nfs/dbraw/zinc/46/54/39/458465439.db2.gz UQMSWNXDIJOQKT-OALUTQOASA-N 2 2 331.504 3.045 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000430576117 458465638 /nfs/dbraw/zinc/46/56/38/458465638.db2.gz RQDRVLAYNOHGOL-FXAWDEMLSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000430576117 458465640 /nfs/dbraw/zinc/46/56/40/458465640.db2.gz RQDRVLAYNOHGOL-FXAWDEMLSA-N 2 2 345.531 3.119 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000430594047 458467554 /nfs/dbraw/zinc/46/75/54/458467554.db2.gz UYAZQTANGDOVEV-OAQYLSRUSA-N 2 2 339.483 3.183 20 0 EGADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430614663 458471973 /nfs/dbraw/zinc/47/19/73/458471973.db2.gz ZQVLPKJBIDWOOI-KRWDZBQOSA-N 2 2 339.439 3.101 20 0 EGADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430614663 458471976 /nfs/dbraw/zinc/47/19/76/458471976.db2.gz ZQVLPKJBIDWOOI-KRWDZBQOSA-N 2 2 339.439 3.101 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000430629391 458473263 /nfs/dbraw/zinc/47/32/63/458473263.db2.gz WOZKBBMSQFRHIA-INIZCTEOSA-N 2 2 339.439 3.088 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000430629391 458473271 /nfs/dbraw/zinc/47/32/71/458473271.db2.gz WOZKBBMSQFRHIA-INIZCTEOSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C[N@H+](Cc2ccccc2)C1 ZINC000459794406 458481065 /nfs/dbraw/zinc/48/10/65/458481065.db2.gz UPNIEDPUGJAKLE-HMXCVIKNSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH+](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000459794406 458481069 /nfs/dbraw/zinc/48/10/69/458481069.db2.gz UPNIEDPUGJAKLE-HMXCVIKNSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794406 458481075 /nfs/dbraw/zinc/48/10/75/458481075.db2.gz UPNIEDPUGJAKLE-HMXCVIKNSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000459794406 458481081 /nfs/dbraw/zinc/48/10/81/458481081.db2.gz UPNIEDPUGJAKLE-HMXCVIKNSA-N 3 2 329.532 3.219 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2[nH+]c1C1CC1 ZINC000423817911 458490148 /nfs/dbraw/zinc/49/01/48/458490148.db2.gz YWNPQPNAJXOKOG-ZDUSSCGKSA-N 2 2 326.444 3.169 20 0 EGADLP O=C(CC[C@H]1CCC[NH2+]1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423853527 458498176 /nfs/dbraw/zinc/49/81/76/458498176.db2.gz UYCZOUDBJTTXMJ-MRXNPFEDSA-N 2 2 336.439 3.073 20 0 EGADLP [NH3+]C[C@@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916371 458503800 /nfs/dbraw/zinc/50/38/00/458503800.db2.gz AFVDJIPRTQAHAR-MAUKXSAKSA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+]C[C@@H]1CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916371 458503803 /nfs/dbraw/zinc/50/38/03/458503803.db2.gz AFVDJIPRTQAHAR-MAUKXSAKSA-N 2 2 334.423 3.107 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430938594 458507231 /nfs/dbraw/zinc/50/72/31/458507231.db2.gz IKIWMNLQLGDMRT-VQIMIIECSA-N 2 2 335.536 3.150 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430938594 458507235 /nfs/dbraw/zinc/50/72/35/458507235.db2.gz IKIWMNLQLGDMRT-VQIMIIECSA-N 2 2 335.536 3.150 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\C3CCCCC3)CC2)CC1 ZINC000493624744 458516995 /nfs/dbraw/zinc/51/69/95/458516995.db2.gz HVQTVHFXOYTSRE-KTKRTIGZSA-N 2 2 347.547 3.142 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\C3CCCCC3)CC2)CC1 ZINC000493624744 458517001 /nfs/dbraw/zinc/51/70/01/458517001.db2.gz HVQTVHFXOYTSRE-KTKRTIGZSA-N 2 2 347.547 3.142 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101603 458531619 /nfs/dbraw/zinc/53/16/19/458531619.db2.gz OTHOJOSGMHHMMW-UZLBHIALSA-N 2 2 344.478 3.375 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101603 458531623 /nfs/dbraw/zinc/53/16/23/458531623.db2.gz OTHOJOSGMHHMMW-UZLBHIALSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101603 458531628 /nfs/dbraw/zinc/53/16/28/458531628.db2.gz OTHOJOSGMHHMMW-UZLBHIALSA-N 2 2 344.478 3.375 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C ZINC000438101603 458531633 /nfs/dbraw/zinc/53/16/33/458531633.db2.gz OTHOJOSGMHHMMW-UZLBHIALSA-N 2 2 344.478 3.375 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000377826317 458543169 /nfs/dbraw/zinc/54/31/69/458543169.db2.gz LGSZQJHFMXVDSE-GFCCVEGCSA-N 2 2 343.381 3.078 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000377826317 458543175 /nfs/dbraw/zinc/54/31/75/458543175.db2.gz LGSZQJHFMXVDSE-GFCCVEGCSA-N 2 2 343.381 3.078 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377887263 458564114 /nfs/dbraw/zinc/56/41/14/458564114.db2.gz DPMVLQSYSQKRPX-SFHVURJKSA-N 2 2 348.450 3.480 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377887263 458564122 /nfs/dbraw/zinc/56/41/22/458564122.db2.gz DPMVLQSYSQKRPX-SFHVURJKSA-N 2 2 348.450 3.480 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000377887437 458564899 /nfs/dbraw/zinc/56/48/99/458564899.db2.gz FKHPOVXHKSAVTL-ZDUSSCGKSA-N 2 2 325.334 3.308 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000377887437 458564900 /nfs/dbraw/zinc/56/49/00/458564900.db2.gz FKHPOVXHKSAVTL-ZDUSSCGKSA-N 2 2 325.334 3.308 20 0 EGADLP CN(CCC[N@@H+](C)Cc1ccco1)c1[nH+]c2ccc(F)cc2n1C ZINC000431412221 458569276 /nfs/dbraw/zinc/56/92/76/458569276.db2.gz CARIRSYKNNOCRH-UHFFFAOYSA-N 2 2 330.407 3.264 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772261 458591395 /nfs/dbraw/zinc/59/13/95/458591395.db2.gz KPJWPNFHMPBYSC-SJORKVTESA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772261 458591397 /nfs/dbraw/zinc/59/13/97/458591397.db2.gz KPJWPNFHMPBYSC-SJORKVTESA-N 2 2 344.421 3.245 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OC(F)F)c(Br)c1 ZINC000469851183 458596534 /nfs/dbraw/zinc/59/65/34/458596534.db2.gz HJQQIMJSHYUJSD-ONGXEEELSA-N 2 2 349.219 3.220 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000494052540 458621554 /nfs/dbraw/zinc/62/15/54/458621554.db2.gz LBNUWQHCKKCLHZ-HZPDHXFCSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000494052540 458621559 /nfs/dbraw/zinc/62/15/59/458621559.db2.gz LBNUWQHCKKCLHZ-HZPDHXFCSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2[nH+]ccn21 ZINC000456403450 458666189 /nfs/dbraw/zinc/66/61/89/458666189.db2.gz FSRSPBCNNMXKIT-YJBOKZPZSA-N 2 2 338.455 3.305 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)CCCO1 ZINC000432357634 458723143 /nfs/dbraw/zinc/72/31/43/458723143.db2.gz IZCOJXJNRFEQAB-CYBMUJFWSA-N 2 2 337.464 3.026 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)CCCO1 ZINC000432357634 458723149 /nfs/dbraw/zinc/72/31/49/458723149.db2.gz IZCOJXJNRFEQAB-CYBMUJFWSA-N 2 2 337.464 3.026 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547654733 458769127 /nfs/dbraw/zinc/76/91/27/458769127.db2.gz OLSZTYALZHUKIQ-JKSUJKDBSA-N 2 2 340.471 3.328 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724555 458775103 /nfs/dbraw/zinc/77/51/03/458775103.db2.gz ZRABZAYRWRXLNY-XBFCOCLRSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724555 458775107 /nfs/dbraw/zinc/77/51/07/458775107.db2.gz ZRABZAYRWRXLNY-XBFCOCLRSA-N 2 2 348.434 3.450 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463774 458798361 /nfs/dbraw/zinc/79/83/61/458798361.db2.gz GBPRMPJFFIAVOK-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463774 458798367 /nfs/dbraw/zinc/79/83/67/458798367.db2.gz GBPRMPJFFIAVOK-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000472463774 458798371 /nfs/dbraw/zinc/79/83/71/458798371.db2.gz GBPRMPJFFIAVOK-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000472463774 458798375 /nfs/dbraw/zinc/79/83/75/458798375.db2.gz GBPRMPJFFIAVOK-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000456866206 458805670 /nfs/dbraw/zinc/80/56/70/458805670.db2.gz UQOXUGMFIINBGZ-LJQANCHMSA-N 2 2 337.467 3.227 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000456866206 458805675 /nfs/dbraw/zinc/80/56/75/458805675.db2.gz UQOXUGMFIINBGZ-LJQANCHMSA-N 2 2 337.467 3.227 20 0 EGADLP CC[C@@H](C[NH2+]C1CCC(C(=O)OC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000495258530 458821506 /nfs/dbraw/zinc/82/15/06/458821506.db2.gz CKQSWMZDIJDTGL-UUKMXZOPSA-N 2 2 344.499 3.145 20 0 EGADLP CC[C@@H](C[NH2+]C1CCC(C(=O)OC)CC1)[N@H+]1CCc2ccccc2C1 ZINC000495258530 458821510 /nfs/dbraw/zinc/82/15/10/458821510.db2.gz CKQSWMZDIJDTGL-UUKMXZOPSA-N 2 2 344.499 3.145 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000495457714 458861240 /nfs/dbraw/zinc/86/12/40/458861240.db2.gz BDHWSBPDEIHEMD-IBGZPJMESA-N 2 2 348.491 3.236 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000518797507 458894502 /nfs/dbraw/zinc/89/45/02/458894502.db2.gz WNBLTLIDASCKRM-PKOBYXMFSA-N 2 2 347.547 3.459 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000518797507 458894508 /nfs/dbraw/zinc/89/45/08/458894508.db2.gz WNBLTLIDASCKRM-PKOBYXMFSA-N 2 2 347.547 3.459 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466898632 458930237 /nfs/dbraw/zinc/93/02/37/458930237.db2.gz ZKLNQWVDBFMCSI-YUXAGFNASA-N 2 2 338.495 3.151 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466898632 458930244 /nfs/dbraw/zinc/93/02/44/458930244.db2.gz ZKLNQWVDBFMCSI-YUXAGFNASA-N 2 2 338.495 3.151 20 0 EGADLP CCc1cccc(Cl)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000475579479 458953566 /nfs/dbraw/zinc/95/35/66/458953566.db2.gz HPTCETCQKIMESB-UHFFFAOYSA-N 2 2 335.923 3.116 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631730 458957089 /nfs/dbraw/zinc/95/70/89/458957089.db2.gz ONZDEZUQMDMMRD-DYVFJYSZSA-N 2 2 342.405 3.243 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631730 458957094 /nfs/dbraw/zinc/95/70/94/458957094.db2.gz ONZDEZUQMDMMRD-DYVFJYSZSA-N 2 2 342.405 3.243 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531948254 459005376 /nfs/dbraw/zinc/00/53/76/459005376.db2.gz XMQFUHREPQTOMZ-AYOQOUSVSA-N 2 2 335.923 3.407 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1)C1CC1 ZINC000577262138 459006114 /nfs/dbraw/zinc/00/61/14/459006114.db2.gz ADJSDECQQZUBGA-UHFFFAOYSA-N 2 2 338.455 3.456 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324063 459015188 /nfs/dbraw/zinc/01/51/88/459015188.db2.gz HNBRVHAZRDMTAN-HOTGVXAUSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324063 459015191 /nfs/dbraw/zinc/01/51/91/459015191.db2.gz HNBRVHAZRDMTAN-HOTGVXAUSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324063 459015197 /nfs/dbraw/zinc/01/51/97/459015197.db2.gz HNBRVHAZRDMTAN-HOTGVXAUSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)c3cnccn3)C2)s1 ZINC000577324063 459015200 /nfs/dbraw/zinc/01/52/00/459015200.db2.gz HNBRVHAZRDMTAN-HOTGVXAUSA-N 2 2 330.501 3.361 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000566941775 459024395 /nfs/dbraw/zinc/02/43/95/459024395.db2.gz UQLRVWAMXMAFDI-JXFKEZNVSA-N 2 2 338.451 3.398 20 0 EGADLP c1cn(CCCC[NH2+]Cc2ccccc2OCc2ccncc2)c[nH+]1 ZINC000520202438 459038411 /nfs/dbraw/zinc/03/84/11/459038411.db2.gz GIIIKSRSUOTFAI-UHFFFAOYSA-N 2 2 336.439 3.427 20 0 EGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239614 459052337 /nfs/dbraw/zinc/05/23/37/459052337.db2.gz TXFZJTJPXBHUCL-GUYCJALGSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239614 459052333 /nfs/dbraw/zinc/05/23/33/459052333.db2.gz TXFZJTJPXBHUCL-GUYCJALGSA-N 2 2 337.305 3.238 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000557300554 459062629 /nfs/dbraw/zinc/06/26/29/459062629.db2.gz LGSSSPGTHVABMD-FQEVSTJZSA-N 2 2 345.531 3.040 20 0 EGADLP Cn1cnc2cc(C[N@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC000577633523 459066594 /nfs/dbraw/zinc/06/65/94/459066594.db2.gz MQSPWHHEJARRDY-LJQANCHMSA-N 2 2 334.467 3.328 20 0 EGADLP Cn1cnc2cc(C[N@@H+](Cc3ccccc3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC000577633523 459066596 /nfs/dbraw/zinc/06/65/96/459066596.db2.gz MQSPWHHEJARRDY-LJQANCHMSA-N 2 2 334.467 3.328 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000594516584 459074322 /nfs/dbraw/zinc/07/43/22/459074322.db2.gz XPQNFTSQDHDUAR-AWEZNQCLSA-N 2 2 329.444 3.248 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000577741457 459087642 /nfs/dbraw/zinc/08/76/42/459087642.db2.gz LURATOHVJRUXCI-CZUORRHYSA-N 2 2 330.394 3.115 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)O[C@@H](C)C2 ZINC000532454885 459092433 /nfs/dbraw/zinc/09/24/33/459092433.db2.gz SSWCVMJMJXIBKR-RLFYNMQTSA-N 2 2 332.488 3.229 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)O[C@@H](C)C2 ZINC000532454885 459092437 /nfs/dbraw/zinc/09/24/37/459092437.db2.gz SSWCVMJMJXIBKR-RLFYNMQTSA-N 2 2 332.488 3.229 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000443214346 459099753 /nfs/dbraw/zinc/09/97/53/459099753.db2.gz NCBFOEBWLPECAJ-LLVKDONJSA-N 2 2 347.322 3.272 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc3c(c1)CCC(=O)N3)CCC2 ZINC000532537718 459107849 /nfs/dbraw/zinc/10/78/49/459107849.db2.gz YEDXKMJYZZYQIQ-YOEHRIQHSA-N 2 2 338.455 3.304 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc3c(c1)CCC(=O)N3)CCC2 ZINC000532537715 459108115 /nfs/dbraw/zinc/10/81/15/459108115.db2.gz YEDXKMJYZZYQIQ-PBHICJAKSA-N 2 2 338.455 3.304 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063360 459116277 /nfs/dbraw/zinc/11/62/77/459116277.db2.gz RLNICPHGNOPUOS-CZUORRHYSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063360 459116283 /nfs/dbraw/zinc/11/62/83/459116283.db2.gz RLNICPHGNOPUOS-CZUORRHYSA-N 2 2 333.501 3.082 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000567641271 459139027 /nfs/dbraw/zinc/13/90/27/459139027.db2.gz PWPJIGNIUQRMKK-RPVQJOFSSA-N 2 2 334.460 3.333 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532762819 459140088 /nfs/dbraw/zinc/14/00/88/459140088.db2.gz AGRZRWNTVQNMQX-DUXKGJEZSA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000532762819 459140093 /nfs/dbraw/zinc/14/00/93/459140093.db2.gz AGRZRWNTVQNMQX-DUXKGJEZSA-N 2 2 330.516 3.428 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352967 459162530 /nfs/dbraw/zinc/16/25/30/459162530.db2.gz WKKAFSPTFDGQFS-ZQIUZPCESA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352967 459162535 /nfs/dbraw/zinc/16/25/35/459162535.db2.gz WKKAFSPTFDGQFS-ZQIUZPCESA-N 2 2 348.491 3.035 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000578439046 459201564 /nfs/dbraw/zinc/20/15/64/459201564.db2.gz VGJDSXDJFSLTSV-YLJYHZDGSA-N 2 2 338.499 3.005 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000558714118 459201762 /nfs/dbraw/zinc/20/17/62/459201762.db2.gz PIIIIPIHXQGICX-UHFFFAOYSA-N 2 2 331.479 3.390 20 0 EGADLP CC[NH+]1CCC(NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000558715555 459202750 /nfs/dbraw/zinc/20/27/50/459202750.db2.gz JHAUKXUABQYYPC-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994234 459204314 /nfs/dbraw/zinc/20/43/14/459204314.db2.gz HITKVIDEKACMBG-QGZVFWFLSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994234 459204320 /nfs/dbraw/zinc/20/43/20/459204320.db2.gz HITKVIDEKACMBG-QGZVFWFLSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994234 459204325 /nfs/dbraw/zinc/20/43/25/459204325.db2.gz HITKVIDEKACMBG-QGZVFWFLSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)ccn1 ZINC000567994234 459204328 /nfs/dbraw/zinc/20/43/28/459204328.db2.gz HITKVIDEKACMBG-QGZVFWFLSA-N 2 2 345.512 3.414 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083104 459309591 /nfs/dbraw/zinc/30/95/91/459309591.db2.gz OGSFZDVGQRFWIR-HNNXBMFYSA-N 2 2 346.862 3.429 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083104 459309597 /nfs/dbraw/zinc/30/95/97/459309597.db2.gz OGSFZDVGQRFWIR-HNNXBMFYSA-N 2 2 346.862 3.429 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082989 459309737 /nfs/dbraw/zinc/30/97/37/459309737.db2.gz XJNGGKPDPZGHMP-OLZOCXBDSA-N 2 2 329.429 3.393 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082989 459309741 /nfs/dbraw/zinc/30/97/41/459309741.db2.gz XJNGGKPDPZGHMP-OLZOCXBDSA-N 2 2 329.429 3.393 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083103 459309783 /nfs/dbraw/zinc/30/97/83/459309783.db2.gz OEXTZRWZJFADTP-LSDHHAIUSA-N 2 2 346.862 3.051 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000591083103 459309787 /nfs/dbraw/zinc/30/97/87/459309787.db2.gz OEXTZRWZJFADTP-LSDHHAIUSA-N 2 2 346.862 3.051 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000560267251 459318173 /nfs/dbraw/zinc/31/81/73/459318173.db2.gz HZXJSHUOTWPNNU-OAHLLOKOSA-N 2 2 343.471 3.266 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC000595503725 459327027 /nfs/dbraw/zinc/32/70/27/459327027.db2.gz ATBAVZPTKHNIAP-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1Cl ZINC000595503725 459327038 /nfs/dbraw/zinc/32/70/38/459327038.db2.gz ATBAVZPTKHNIAP-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1Cl ZINC000595503725 459327047 /nfs/dbraw/zinc/32/70/47/459327047.db2.gz ATBAVZPTKHNIAP-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000595503725 459327056 /nfs/dbraw/zinc/32/70/56/459327056.db2.gz ATBAVZPTKHNIAP-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764280 459340649 /nfs/dbraw/zinc/34/06/49/459340649.db2.gz OVNSJAITEZZOQL-QFBILLFUSA-N 2 2 342.483 3.325 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000568764280 459340657 /nfs/dbraw/zinc/34/06/57/459340657.db2.gz OVNSJAITEZZOQL-QFBILLFUSA-N 2 2 342.483 3.325 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3F)C[C@H]21 ZINC000568772101 459344576 /nfs/dbraw/zinc/34/45/76/459344576.db2.gz OAVDQLJSRUYTDI-GAJTVXKRSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3F)C[C@H]21 ZINC000568772101 459344580 /nfs/dbraw/zinc/34/45/80/459344580.db2.gz OAVDQLJSRUYTDI-GAJTVXKRSA-N 2 2 345.231 3.287 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000582591760 459391811 /nfs/dbraw/zinc/39/18/11/459391811.db2.gz NKQBOKCGGSDRKD-ZDUSSCGKSA-N 2 2 339.468 3.372 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000484514892 459416274 /nfs/dbraw/zinc/41/62/74/459416274.db2.gz XTNLUQZUNVMYOS-BFQNTYOBSA-N 2 2 338.879 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000484514892 459416279 /nfs/dbraw/zinc/41/62/79/459416279.db2.gz XTNLUQZUNVMYOS-BFQNTYOBSA-N 2 2 338.879 3.491 20 0 EGADLP Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)[nH]2)cc1 ZINC000582779652 459425767 /nfs/dbraw/zinc/42/57/67/459425767.db2.gz JNFBXOOTNKDBKI-IXDOHACOSA-N 2 2 343.450 3.011 20 0 EGADLP Fc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000582779652 459425771 /nfs/dbraw/zinc/42/57/71/459425771.db2.gz JNFBXOOTNKDBKI-IXDOHACOSA-N 2 2 343.450 3.011 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000561291849 459439404 /nfs/dbraw/zinc/43/94/04/459439404.db2.gz HENQTXVFYQJHRX-URVUXULASA-N 2 2 343.559 3.213 20 0 EGADLP C[C@H](CCc1ccccc1)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000561291849 459439408 /nfs/dbraw/zinc/43/94/08/459439408.db2.gz HENQTXVFYQJHRX-URVUXULASA-N 2 2 343.559 3.213 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000582976850 459460514 /nfs/dbraw/zinc/46/05/14/459460514.db2.gz VIIDPWJKGITSLG-DLBZAZTESA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000582976853 459460863 /nfs/dbraw/zinc/46/08/63/459460863.db2.gz VIIDPWJKGITSLG-SJORKVTESA-N 2 2 347.503 3.122 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000583052282 459473373 /nfs/dbraw/zinc/47/33/73/459473373.db2.gz ZTCUETFXTOGAQP-MRXNPFEDSA-N 2 2 332.488 3.326 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000583052282 459473376 /nfs/dbraw/zinc/47/33/76/459473376.db2.gz ZTCUETFXTOGAQP-MRXNPFEDSA-N 2 2 332.488 3.326 20 0 EGADLP C[C@@]1(NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000569609183 459481637 /nfs/dbraw/zinc/48/16/37/459481637.db2.gz MJMJKORGPQYUNA-HXUWFJFHSA-N 2 2 349.438 3.120 20 0 EGADLP C[C@@]1(NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000569609183 459481639 /nfs/dbraw/zinc/48/16/39/459481639.db2.gz MJMJKORGPQYUNA-HXUWFJFHSA-N 2 2 349.438 3.120 20 0 EGADLP FC(F)n1c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000591915726 459482888 /nfs/dbraw/zinc/48/28/88/459482888.db2.gz JOYOQZMTRBURQD-ZDUSSCGKSA-N 2 2 331.370 3.465 20 0 EGADLP FC(F)n1c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000591915726 459482896 /nfs/dbraw/zinc/48/28/96/459482896.db2.gz JOYOQZMTRBURQD-ZDUSSCGKSA-N 2 2 331.370 3.465 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1CCC[NH2+]1 ZINC000562958926 459680647 /nfs/dbraw/zinc/68/06/47/459680647.db2.gz BFPOOTMBTHQKQY-HNAYVOBHSA-N 2 2 329.488 3.436 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527644993 459683031 /nfs/dbraw/zinc/68/30/31/459683031.db2.gz LSXXJIAROXXGIS-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527644993 459683032 /nfs/dbraw/zinc/68/30/32/459683032.db2.gz LSXXJIAROXXGIS-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000562988945 459687214 /nfs/dbraw/zinc/68/72/14/459687214.db2.gz ULFJPGPCWADFJF-LJQANCHMSA-N 2 2 337.467 3.318 20 0 EGADLP Fc1ccc(F)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1Cl ZINC000527663258 459689766 /nfs/dbraw/zinc/68/97/66/459689766.db2.gz XNSBFZDIEVGRBK-GFCCVEGCSA-N 2 2 344.833 3.209 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1Cl ZINC000543994925 459717347 /nfs/dbraw/zinc/71/73/47/459717347.db2.gz JMOCRAHRNFVBSW-DZGCQCFKSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1Cl ZINC000543994925 459717352 /nfs/dbraw/zinc/71/73/52/459717352.db2.gz JMOCRAHRNFVBSW-DZGCQCFKSA-N 2 2 337.895 3.297 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000544349264 459749903 /nfs/dbraw/zinc/74/99/03/459749903.db2.gz WUMBOLXXKHQKJT-YADHBBJMSA-N 2 2 338.495 3.234 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000544349264 459749909 /nfs/dbraw/zinc/74/99/09/459749909.db2.gz WUMBOLXXKHQKJT-YADHBBJMSA-N 2 2 338.495 3.234 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000573910998 459754289 /nfs/dbraw/zinc/75/42/89/459754289.db2.gz XRNSJJWCTSRQOS-YNVMFWSZSA-N 2 2 332.488 3.378 20 0 EGADLP COc1ccc[nH+]c1NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000527842894 459756120 /nfs/dbraw/zinc/75/61/20/459756120.db2.gz MAFLAUIIBPXUMA-IYBDPMFKSA-N 2 2 341.455 3.312 20 0 EGADLP COc1ccc[nH+]c1NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000527842894 459756124 /nfs/dbraw/zinc/75/61/24/459756124.db2.gz MAFLAUIIBPXUMA-IYBDPMFKSA-N 2 2 341.455 3.312 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCCC(F)(F)C3)c2cc1C ZINC000584524821 459761579 /nfs/dbraw/zinc/76/15/79/459761579.db2.gz KBHIRRVQYUFHBT-HUUCEWRRSA-N 2 2 337.414 3.182 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCOCC1 ZINC000527869569 459762598 /nfs/dbraw/zinc/76/25/98/459762598.db2.gz RFCOMLSWGRWSIY-YVEFUNNKSA-N 2 2 326.843 3.024 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000544566807 459768865 /nfs/dbraw/zinc/76/88/65/459768865.db2.gz LJPOQTJCNGZVIQ-WDSOQIARSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000544566807 459768867 /nfs/dbraw/zinc/76/88/67/459768867.db2.gz LJPOQTJCNGZVIQ-WDSOQIARSA-N 2 2 326.488 3.371 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527948069 459779854 /nfs/dbraw/zinc/77/98/54/459779854.db2.gz MCATZJAGPPYAQV-SIWZUTFBSA-N 2 2 334.426 3.219 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527948069 459779850 /nfs/dbraw/zinc/77/98/50/459779850.db2.gz MCATZJAGPPYAQV-SIWZUTFBSA-N 2 2 334.426 3.219 20 0 EGADLP c1ccc(C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010787 459796084 /nfs/dbraw/zinc/79/60/84/459796084.db2.gz JQIYIFPWYUABAW-NHCUHLMSSA-N 2 2 336.483 3.367 20 0 EGADLP c1ccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c2cccnc2)nc1 ZINC000528010787 459796087 /nfs/dbraw/zinc/79/60/87/459796087.db2.gz JQIYIFPWYUABAW-NHCUHLMSSA-N 2 2 336.483 3.367 20 0 EGADLP Cc1cc[nH+]c(N2CCN(Cc3[nH+]c(C(C)C)n4ccccc34)CC2)c1 ZINC000566336356 459845762 /nfs/dbraw/zinc/84/57/62/459845762.db2.gz AYRPLXKFCKQQHN-UHFFFAOYSA-N 2 2 349.482 3.483 20 0 EGADLP c1cc2c(nc[nH+]c2Nc2ccc(CC[NH+]3CCSCC3)cc2)[nH]1 ZINC000588898442 459999949 /nfs/dbraw/zinc/99/99/49/459999949.db2.gz SGVBFOIRMUPLPQ-UHFFFAOYSA-N 2 2 339.468 3.293 20 0 EGADLP Clc1ccccc1[C@@H](CNc1[nH+]cnc2[nH]ccc21)[NH+]1CCCC1 ZINC000588895588 460000213 /nfs/dbraw/zinc/00/02/13/460000213.db2.gz PYUNSGUPOAICRU-MRXNPFEDSA-N 2 2 341.846 3.282 20 0 EGADLP O=C(NCC12CCC[NH+]1CCC2)c1ccccc1Oc1cc[nH+]cc1 ZINC000614223301 460054815 /nfs/dbraw/zinc/05/48/15/460054815.db2.gz AEFHQCOGWJVBHR-UHFFFAOYSA-N 2 2 337.423 3.232 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000576031335 460056059 /nfs/dbraw/zinc/05/60/59/460056059.db2.gz NXSCUMKRRMKAFA-OXQOHEQNSA-N 2 2 325.456 3.296 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784080 460061089 /nfs/dbraw/zinc/06/10/89/460061089.db2.gz JMYPRQKROGLPCR-HNAYVOBHSA-N 2 2 342.874 3.419 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784080 460061092 /nfs/dbraw/zinc/06/10/92/460061092.db2.gz JMYPRQKROGLPCR-HNAYVOBHSA-N 2 2 342.874 3.419 20 0 EGADLP Cn1nc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000589641327 460118845 /nfs/dbraw/zinc/11/88/45/460118845.db2.gz NGZJLUJXCGSVJN-UHFFFAOYSA-N 2 2 348.494 3.370 20 0 EGADLP C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1 ZINC000576398248 460132976 /nfs/dbraw/zinc/13/29/76/460132976.db2.gz ACVKZOUJSDSYLS-KRWDZBQOSA-N 2 2 329.831 3.185 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000599041883 460137221 /nfs/dbraw/zinc/13/72/21/460137221.db2.gz CYPZKGGGPIJGEV-OQUMVOOASA-N 2 2 344.499 3.218 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000599041883 460137229 /nfs/dbraw/zinc/13/72/29/460137229.db2.gz CYPZKGGGPIJGEV-OQUMVOOASA-N 2 2 344.499 3.218 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnc3ccccc3n2)c[nH+]1 ZINC000589832449 460144360 /nfs/dbraw/zinc/14/43/60/460144360.db2.gz CTYHOAVYXWRIRN-UHFFFAOYSA-N 2 2 329.407 3.164 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003794 460158276 /nfs/dbraw/zinc/15/82/76/460158276.db2.gz GAISZQFUGZRPQK-UZLBHIALSA-N 2 2 336.439 3.147 20 0 EGADLP Cn1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003794 460158280 /nfs/dbraw/zinc/15/82/80/460158280.db2.gz GAISZQFUGZRPQK-UZLBHIALSA-N 2 2 336.439 3.147 20 0 EGADLP FC(F)(F)C1CCC(C[NH+]2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000625545839 460204145 /nfs/dbraw/zinc/20/41/45/460204145.db2.gz JBFNEDIDDYFJIS-UHFFFAOYSA-N 2 2 334.426 3.152 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000610992486 460272919 /nfs/dbraw/zinc/27/29/19/460272919.db2.gz JKGAHZOXMLNAPG-GOSISDBHSA-N 2 2 327.428 3.285 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000610992486 460272923 /nfs/dbraw/zinc/27/29/23/460272923.db2.gz JKGAHZOXMLNAPG-GOSISDBHSA-N 2 2 327.428 3.285 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C\C[N@H+]1CCOC[C@H]1CC(C)C ZINC000603713041 460335303 /nfs/dbraw/zinc/33/53/03/460335303.db2.gz BDRNTGNRFIROOV-SBUVDCAVSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C/C=C\C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000603713041 460335308 /nfs/dbraw/zinc/33/53/08/460335308.db2.gz BDRNTGNRFIROOV-SBUVDCAVSA-N 2 2 338.536 3.036 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740925 460338085 /nfs/dbraw/zinc/33/80/85/460338085.db2.gz XUXUEDMPSCTFRB-GUDVDZBRSA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740925 460338089 /nfs/dbraw/zinc/33/80/89/460338089.db2.gz XUXUEDMPSCTFRB-GUDVDZBRSA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740925 460338094 /nfs/dbraw/zinc/33/80/94/460338094.db2.gz XUXUEDMPSCTFRB-GUDVDZBRSA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000603740925 460338099 /nfs/dbraw/zinc/33/80/99/460338099.db2.gz XUXUEDMPSCTFRB-GUDVDZBRSA-N 2 2 344.499 3.413 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000628476075 460430728 /nfs/dbraw/zinc/43/07/28/460430728.db2.gz BBVBSZGNSSCKCZ-GOSISDBHSA-N 2 2 344.499 3.130 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195476 460434144 /nfs/dbraw/zinc/43/41/44/460434144.db2.gz JMKFOIVZXIFBQE-ZBFHGGJFSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195476 460434146 /nfs/dbraw/zinc/43/41/46/460434146.db2.gz JMKFOIVZXIFBQE-ZBFHGGJFSA-N 2 2 329.444 3.134 20 0 EGADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000631570785 460449754 /nfs/dbraw/zinc/44/97/54/460449754.db2.gz YDJGQVGYKIKBHP-NRFANRHFSA-N 2 2 337.467 3.332 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000631586839 460459109 /nfs/dbraw/zinc/45/91/09/460459109.db2.gz KYLNWAPFKVQIOZ-MRXNPFEDSA-N 2 2 329.488 3.189 20 0 EGADLP Cc1cc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000604758742 460472206 /nfs/dbraw/zinc/47/22/06/460472206.db2.gz RWFOMRZONWEJRF-GOSISDBHSA-N 2 2 336.483 3.408 20 0 EGADLP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000604758742 460472212 /nfs/dbraw/zinc/47/22/12/460472212.db2.gz RWFOMRZONWEJRF-GOSISDBHSA-N 2 2 336.483 3.408 20 0 EGADLP CCc1cc(N2CCC[C@@H](C)[C@@H]2CC[NH3+])nc(-c2ccncc2)[nH+]1 ZINC000634811550 460533249 /nfs/dbraw/zinc/53/32/49/460533249.db2.gz JAQSVSAFQIHRJL-PBHICJAKSA-N 2 2 325.460 3.055 20 0 EGADLP Cc1ccc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000606913126 460759632 /nfs/dbraw/zinc/75/96/32/460759632.db2.gz HFHMUEQRYWODMU-SFHVURJKSA-N 2 2 328.456 3.474 20 0 EGADLP O[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000629557403 460807494 /nfs/dbraw/zinc/80/74/94/460807494.db2.gz LERVKWZHHQEVDQ-VQTJNVASSA-N 2 2 344.886 3.476 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H]1C(F)(F)F ZINC000629559700 460807620 /nfs/dbraw/zinc/80/76/20/460807620.db2.gz BRPPHJWOHFRMNN-SKDRFNHKSA-N 2 2 341.299 3.060 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)CC[C@@H]1C(F)(F)F ZINC000629559700 460807625 /nfs/dbraw/zinc/80/76/25/460807625.db2.gz BRPPHJWOHFRMNN-SKDRFNHKSA-N 2 2 341.299 3.060 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1C(F)(F)F ZINC000629657280 460851355 /nfs/dbraw/zinc/85/13/55/460851355.db2.gz VRXVIRMKWKKNLB-JQWIXIFHSA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1C(F)(F)F ZINC000629657280 460851361 /nfs/dbraw/zinc/85/13/61/460851361.db2.gz VRXVIRMKWKKNLB-JQWIXIFHSA-N 2 2 344.406 3.097 20 0 EGADLP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676442 460862134 /nfs/dbraw/zinc/86/21/34/460862134.db2.gz UOWRADCPHDFRFU-IUODEOHRSA-N 2 2 334.851 3.211 20 0 EGADLP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676442 460862143 /nfs/dbraw/zinc/86/21/43/460862143.db2.gz UOWRADCPHDFRFU-IUODEOHRSA-N 2 2 334.851 3.211 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120896 460870743 /nfs/dbraw/zinc/87/07/43/460870743.db2.gz JNXXXBWXAQQDKF-HOCLYGCPSA-N 2 2 345.466 3.097 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120896 460870751 /nfs/dbraw/zinc/87/07/51/460870751.db2.gz JNXXXBWXAQQDKF-HOCLYGCPSA-N 2 2 345.466 3.097 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702950 460874895 /nfs/dbraw/zinc/87/48/95/460874895.db2.gz XSMMWGAXFSNBTA-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)c1 ZINC000629702950 460874898 /nfs/dbraw/zinc/87/48/98/460874898.db2.gz XSMMWGAXFSNBTA-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCc4ccccc43)c2cc1C ZINC000613342948 460916155 /nfs/dbraw/zinc/91/61/55/460916155.db2.gz MFZGZBUYTXRIAL-MJGOQNOKSA-N 2 2 335.451 3.291 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000635893160 460966919 /nfs/dbraw/zinc/96/69/19/460966919.db2.gz LOVANENITYFMJS-UHFFFAOYSA-N 2 2 334.851 3.360 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000635976368 460995702 /nfs/dbraw/zinc/99/57/02/460995702.db2.gz UANMRLNOOLCOOP-UHFFFAOYSA-N 2 2 337.427 3.259 20 0 EGADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000628211661 461049987 /nfs/dbraw/zinc/04/99/87/461049987.db2.gz VKLDSYWBKUBXMV-QGZVFWFLSA-N 2 2 325.456 3.206 20 0 EGADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000628211661 461049994 /nfs/dbraw/zinc/04/99/94/461049994.db2.gz VKLDSYWBKUBXMV-QGZVFWFLSA-N 2 2 325.456 3.206 20 0 EGADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000628211660 461050138 /nfs/dbraw/zinc/05/01/38/461050138.db2.gz VKLDSYWBKUBXMV-KRWDZBQOSA-N 2 2 325.456 3.206 20 0 EGADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000628211660 461050142 /nfs/dbraw/zinc/05/01/42/461050142.db2.gz VKLDSYWBKUBXMV-KRWDZBQOSA-N 2 2 325.456 3.206 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000652353588 461146968 /nfs/dbraw/zinc/14/69/68/461146968.db2.gz SPSHCRYPYJNVFY-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1CC[NH3+] ZINC000652353588 461146976 /nfs/dbraw/zinc/14/69/76/461146976.db2.gz SPSHCRYPYJNVFY-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP COc1cccc(CN(CC[NH+](C)C)Cc2[nH+]ccn2C(C)C)c1 ZINC000668167255 461151103 /nfs/dbraw/zinc/15/11/03/461151103.db2.gz XYTOFYMJRDEASN-UHFFFAOYSA-N 2 2 330.476 3.036 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269941 461157057 /nfs/dbraw/zinc/15/70/57/461157057.db2.gz FVFFDOKJCSJIBL-CTNGQTDRSA-N 3 2 340.515 3.025 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000662269941 461157062 /nfs/dbraw/zinc/15/70/62/461157062.db2.gz FVFFDOKJCSJIBL-CTNGQTDRSA-N 3 2 340.515 3.025 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633630407 461165895 /nfs/dbraw/zinc/16/58/95/461165895.db2.gz LDTUVSXNQQIWDB-KRWDZBQOSA-N 2 2 338.455 3.214 20 0 EGADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633630407 461165903 /nfs/dbraw/zinc/16/59/03/461165903.db2.gz LDTUVSXNQQIWDB-KRWDZBQOSA-N 2 2 338.455 3.214 20 0 EGADLP Cc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000662292838 461170642 /nfs/dbraw/zinc/17/06/42/461170642.db2.gz OXVDFKRZHKUSGF-QGZVFWFLSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000649574669 461188164 /nfs/dbraw/zinc/18/81/64/461188164.db2.gz RCQWDWIZROZQMA-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCc2cccnc2)cc1 ZINC000649574669 461188173 /nfs/dbraw/zinc/18/81/73/461188173.db2.gz RCQWDWIZROZQMA-QFBILLFUSA-N 2 2 325.456 3.405 20 0 EGADLP COc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000638065900 461222982 /nfs/dbraw/zinc/22/29/82/461222982.db2.gz CIZYKZNQJAEDLG-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000638065900 461222991 /nfs/dbraw/zinc/22/29/91/461222991.db2.gz CIZYKZNQJAEDLG-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000638065900 461223000 /nfs/dbraw/zinc/22/30/00/461223000.db2.gz CIZYKZNQJAEDLG-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638065900 461223007 /nfs/dbraw/zinc/22/30/07/461223007.db2.gz CIZYKZNQJAEDLG-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C(C)(C)C ZINC000638083544 461229815 /nfs/dbraw/zinc/22/98/15/461229815.db2.gz NLWSXCUUXFTYOY-UHFFFAOYSA-N 2 2 348.531 3.271 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C(C)(C)C ZINC000638083544 461229822 /nfs/dbraw/zinc/22/98/22/461229822.db2.gz NLWSXCUUXFTYOY-UHFFFAOYSA-N 2 2 348.531 3.271 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1OCCCCO ZINC000638116690 461251211 /nfs/dbraw/zinc/25/12/11/461251211.db2.gz FPGXPBAVCCTYPV-LJQANCHMSA-N 2 2 334.504 3.144 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1OCCCCO ZINC000638116690 461251218 /nfs/dbraw/zinc/25/12/18/461251218.db2.gz FPGXPBAVCCTYPV-LJQANCHMSA-N 2 2 334.504 3.144 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1OCCCCO ZINC000638116690 461251223 /nfs/dbraw/zinc/25/12/23/461251223.db2.gz FPGXPBAVCCTYPV-LJQANCHMSA-N 2 2 334.504 3.144 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1OCCCCO ZINC000638116690 461251232 /nfs/dbraw/zinc/25/12/32/461251232.db2.gz FPGXPBAVCCTYPV-LJQANCHMSA-N 2 2 334.504 3.144 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)cc1O ZINC000638119892 461253392 /nfs/dbraw/zinc/25/33/92/461253392.db2.gz BHZZPGZOZCXILF-AWEZNQCLSA-N 2 2 338.879 3.362 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)cc1O ZINC000638119892 461253403 /nfs/dbraw/zinc/25/34/03/461253403.db2.gz BHZZPGZOZCXILF-AWEZNQCLSA-N 2 2 338.879 3.362 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144426 461270483 /nfs/dbraw/zinc/27/04/83/461270483.db2.gz CKNOXFXKFKAUPU-WMZOPIPTSA-N 2 2 341.455 3.361 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144426 461270488 /nfs/dbraw/zinc/27/04/88/461270488.db2.gz CKNOXFXKFKAUPU-WMZOPIPTSA-N 2 2 341.455 3.361 20 0 EGADLP CC[NH+]1CCN(c2ccccc2N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000638208924 461310661 /nfs/dbraw/zinc/31/06/61/461310661.db2.gz WSPSECXAOVCNPO-LJQANCHMSA-N 2 2 339.487 3.125 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630794038 461320918 /nfs/dbraw/zinc/32/09/18/461320918.db2.gz HDWQRXLCVGJPKA-OAHLLOKOSA-N 2 2 328.460 3.317 20 0 EGADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630843612 461360578 /nfs/dbraw/zinc/36/05/78/461360578.db2.gz MQTGNCLWFJGFND-UHFFFAOYSA-N 2 2 340.471 3.413 20 0 EGADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630843612 461360583 /nfs/dbraw/zinc/36/05/83/461360583.db2.gz MQTGNCLWFJGFND-UHFFFAOYSA-N 2 2 340.471 3.413 20 0 EGADLP COc1cccc([C@H](C[NH2+]Cc2ccc(CO)cc2)[NH+]2CCCC2)c1 ZINC000638316539 461362695 /nfs/dbraw/zinc/36/26/95/461362695.db2.gz MIMLRUUCNXPKSA-NRFANRHFSA-N 2 2 340.467 3.114 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]Cc1ccc(CO)cc1)c1cccc(OC)c1 ZINC000638317388 461363849 /nfs/dbraw/zinc/36/38/49/461363849.db2.gz SHTCEDKXSSFOEU-OAQYLSRUSA-N 2 2 342.483 3.360 20 0 EGADLP Cc1cnccc1CNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000641778530 461368039 /nfs/dbraw/zinc/36/80/39/461368039.db2.gz TXTYUQHXOGIHGI-UHFFFAOYSA-N 2 2 346.438 3.061 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000641780431 461369006 /nfs/dbraw/zinc/36/90/06/461369006.db2.gz YZQHFJIUPBZLOF-DOHHPOSVSA-N 2 2 344.503 3.173 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655718821 461386423 /nfs/dbraw/zinc/38/64/23/461386423.db2.gz NUWPTVGDDRGKFR-HKBOAZHASA-N 2 2 344.499 3.058 20 0 EGADLP Cc1csc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)n1 ZINC000655720541 461389052 /nfs/dbraw/zinc/38/90/52/461389052.db2.gz YYLFKPJZFAJGAS-SJORKVTESA-N 2 2 335.517 3.136 20 0 EGADLP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655728821 461396615 /nfs/dbraw/zinc/39/66/15/461396615.db2.gz YOJWKKKEXTXJBF-JBACZVJFSA-N 2 2 328.500 3.241 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668738434 461408259 /nfs/dbraw/zinc/40/82/59/461408259.db2.gz COOSYMYRPXMBBX-KRWDZBQOSA-N 2 2 342.405 3.045 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668738434 461408266 /nfs/dbraw/zinc/40/82/66/461408266.db2.gz COOSYMYRPXMBBX-KRWDZBQOSA-N 2 2 342.405 3.045 20 0 EGADLP c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]cc1N1CCCCC1 ZINC000655742431 461409947 /nfs/dbraw/zinc/40/99/47/461409947.db2.gz TXESZECFWQXTQH-IBGZPJMESA-N 2 2 344.503 3.127 20 0 EGADLP CO[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[C@H]1CCOC1 ZINC000638404554 461410849 /nfs/dbraw/zinc/41/08/49/461410849.db2.gz GKIBYDHFNJGLBM-PCCBWWKXSA-N 2 2 346.515 3.101 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](C[C@@H]4CCCO4)CC3)[nH+]c2c1 ZINC000641935242 461412953 /nfs/dbraw/zinc/41/29/53/461412953.db2.gz OGFPGDLAMQEBQD-KRWDZBQOSA-N 2 2 325.456 3.153 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881844 461479876 /nfs/dbraw/zinc/47/98/76/461479876.db2.gz AXQAXYLBDFNZMT-YOEHRIQHSA-N 2 2 342.468 3.023 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881844 461479884 /nfs/dbraw/zinc/47/98/84/461479884.db2.gz AXQAXYLBDFNZMT-YOEHRIQHSA-N 2 2 342.468 3.023 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000631032698 461484660 /nfs/dbraw/zinc/48/46/60/461484660.db2.gz IKJQACVCDALYIC-SFHVURJKSA-N 2 2 340.467 3.248 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000631038049 461489809 /nfs/dbraw/zinc/48/98/09/461489809.db2.gz RAWUGGITLOAAGA-UHFFFAOYSA-N 2 2 337.467 3.183 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000631038049 461489821 /nfs/dbraw/zinc/48/98/21/461489821.db2.gz RAWUGGITLOAAGA-UHFFFAOYSA-N 2 2 337.467 3.183 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495844 /nfs/dbraw/zinc/49/58/44/461495844.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495854 /nfs/dbraw/zinc/49/58/54/461495854.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495865 /nfs/dbraw/zinc/49/58/65/461495865.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638587423 461495873 /nfs/dbraw/zinc/49/58/73/461495873.db2.gz CKXMLQISTJQCFT-QFUCXCTJSA-N 3 2 327.516 3.286 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(Br)cc2F)C1 ZINC000631046007 461497770 /nfs/dbraw/zinc/49/77/70/461497770.db2.gz YDLXRIVANSKGSD-NSHDSACASA-N 2 2 345.256 3.028 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(Br)cc2F)C1 ZINC000631046007 461497782 /nfs/dbraw/zinc/49/77/82/461497782.db2.gz YDLXRIVANSKGSD-NSHDSACASA-N 2 2 345.256 3.028 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CCC4(CCCC4)O3)CC2)ccn1 ZINC000655852228 461501094 /nfs/dbraw/zinc/50/10/94/461501094.db2.gz LBVYTWOTFMQSHY-LJQANCHMSA-N 2 2 329.488 3.127 20 0 EGADLP COc1cccc(C)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000638789907 461579844 /nfs/dbraw/zinc/57/98/44/461579844.db2.gz KUZBHZXEOPVXLF-KRWDZBQOSA-N 2 2 340.471 3.151 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660129613 461601802 /nfs/dbraw/zinc/60/18/02/461601802.db2.gz SETBFGPBKLSXIU-LLVKDONJSA-N 2 2 325.334 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000660129613 461601811 /nfs/dbraw/zinc/60/18/11/461601811.db2.gz SETBFGPBKLSXIU-LLVKDONJSA-N 2 2 325.334 3.150 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000631168540 461607690 /nfs/dbraw/zinc/60/76/90/461607690.db2.gz LEKIXNJBUVDZQO-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000631168540 461607699 /nfs/dbraw/zinc/60/76/99/461607699.db2.gz LEKIXNJBUVDZQO-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]CCC[NH+]3CCCC3)CC[N@H+]2C2CC2)cc1 ZINC000638849275 461615403 /nfs/dbraw/zinc/61/54/03/461615403.db2.gz RSWHSQLAAASUBZ-PZJWPPBQSA-N 3 2 327.516 3.430 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCc3ccc(SC)cc32)CC1 ZINC000647291206 461618020 /nfs/dbraw/zinc/61/80/20/461618020.db2.gz JMPDEEHWDNBZTB-IBGZPJMESA-N 2 2 334.529 3.486 20 0 EGADLP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466150 461655215 /nfs/dbraw/zinc/65/52/15/461655215.db2.gz OOXNPYDOSJSOJJ-GHTZIAJQSA-N 2 2 336.483 3.278 20 0 EGADLP c1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466150 461655222 /nfs/dbraw/zinc/65/52/22/461655222.db2.gz OOXNPYDOSJSOJJ-GHTZIAJQSA-N 2 2 336.483 3.278 20 0 EGADLP c1nnc([C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466722 461655627 /nfs/dbraw/zinc/65/56/27/461655627.db2.gz XHGJHOWFXMPHAY-FUHWJXTLSA-N 2 2 331.508 3.138 20 0 EGADLP c1nnc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C2CCCCC2)[nH]1 ZINC000663466722 461655632 /nfs/dbraw/zinc/65/56/32/461655632.db2.gz XHGJHOWFXMPHAY-FUHWJXTLSA-N 2 2 331.508 3.138 20 0 EGADLP O=C(NCCCCC[NH+]1CCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631228343 461658089 /nfs/dbraw/zinc/65/80/89/461658089.db2.gz TZKQPTSPNIQITA-UHFFFAOYSA-N 2 2 340.471 3.463 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c(C)c2c1 ZINC000660265378 461673784 /nfs/dbraw/zinc/67/37/84/461673784.db2.gz GRONMJIWCLUZAU-LSDHHAIUSA-N 2 2 334.460 3.102 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c(C)c2c1 ZINC000660265378 461673790 /nfs/dbraw/zinc/67/37/90/461673790.db2.gz GRONMJIWCLUZAU-LSDHHAIUSA-N 2 2 334.460 3.102 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000663508521 461678639 /nfs/dbraw/zinc/67/86/39/461678639.db2.gz BZLJKAJFMIFLRM-OAHLLOKOSA-N 2 2 338.430 3.376 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1)CC2 ZINC000639042836 461687524 /nfs/dbraw/zinc/68/75/24/461687524.db2.gz LAFKQOKIJBAHGR-NVXWUHKLSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@@H]1Cn1cc[nH+]c1)CC2 ZINC000639042836 461687532 /nfs/dbraw/zinc/68/75/32/461687532.db2.gz LAFKQOKIJBAHGR-NVXWUHKLSA-N 2 2 327.428 3.052 20 0 EGADLP Cn1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C(F)F)n1 ZINC000643329157 461687699 /nfs/dbraw/zinc/68/76/99/461687699.db2.gz YFOJZFYGQWHIBP-HNNXBMFYSA-N 2 2 345.397 3.165 20 0 EGADLP Cc1ncc([C@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075085 461711224 /nfs/dbraw/zinc/71/12/24/461711224.db2.gz DHXQCYSNFPMICT-GOEBONIOSA-N 2 2 325.460 3.177 20 0 EGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075085 461711228 /nfs/dbraw/zinc/71/12/28/461711228.db2.gz DHXQCYSNFPMICT-GOEBONIOSA-N 2 2 325.460 3.177 20 0 EGADLP C[C@H](c1ccccc1)[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643377322 461712644 /nfs/dbraw/zinc/71/26/44/461712644.db2.gz CSQBXSWCPDQTQV-PBHICJAKSA-N 2 2 344.421 3.157 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2nc(C)cs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643460700 461735235 /nfs/dbraw/zinc/73/52/35/461735235.db2.gz GPPUHMPLHGRZFS-WMZOPIPTSA-N 2 2 331.485 3.086 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cccc(Br)c2OC)CC[C@H]1[NH3+] ZINC000647497346 461736979 /nfs/dbraw/zinc/73/69/79/461736979.db2.gz DIEYGCLWMBFYJR-SMDDNHRTSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cccc(Br)c2OC)CC[C@H]1[NH3+] ZINC000647497346 461736987 /nfs/dbraw/zinc/73/69/87/461736987.db2.gz DIEYGCLWMBFYJR-SMDDNHRTSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000643528791 461754375 /nfs/dbraw/zinc/75/43/75/461754375.db2.gz OXMQWSLRDJNEAB-NXEZZACHSA-N 2 2 327.259 3.485 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)cc1F ZINC000643548318 461761387 /nfs/dbraw/zinc/76/13/87/461761387.db2.gz NOXBVYXYHVGBKT-CMPLNLGQSA-N 2 2 342.256 3.309 20 0 EGADLP Cc1cc(CO)cc(NCc2[nH+]ccn2CCCc2ccccc2)[nH+]1 ZINC000663701684 461762349 /nfs/dbraw/zinc/76/23/49/461762349.db2.gz WJPAQYACOIGWHX-UHFFFAOYSA-N 2 2 336.439 3.324 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498702 461767427 /nfs/dbraw/zinc/76/74/27/461767427.db2.gz AHABNLNORGWSAS-GSEOLPGOSA-N 2 2 346.540 3.399 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)[C@H]1Sc1ccccc1 ZINC000656498702 461767435 /nfs/dbraw/zinc/76/74/35/461767435.db2.gz AHABNLNORGWSAS-GSEOLPGOSA-N 2 2 346.540 3.399 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@]2(OC)CCOC2)CC1 ZINC000639175073 461781338 /nfs/dbraw/zinc/78/13/38/461781338.db2.gz HTUYQLBXNFPFPF-HXUWFJFHSA-N 2 2 343.471 3.041 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H](C)C[C@@H]3CCCC(=O)N3)cc2)c1C ZINC000639199510 461797932 /nfs/dbraw/zinc/79/79/32/461797932.db2.gz YDAULQALNGPTDL-DYVFJYSZSA-N 2 2 326.444 3.348 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000663775373 461800184 /nfs/dbraw/zinc/80/01/84/461800184.db2.gz PWLFHNJNGJJYEA-GJZGRUSLSA-N 2 2 340.471 3.078 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000663775373 461800188 /nfs/dbraw/zinc/80/01/88/461800188.db2.gz PWLFHNJNGJJYEA-GJZGRUSLSA-N 2 2 340.471 3.078 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000639330566 461865223 /nfs/dbraw/zinc/86/52/23/461865223.db2.gz MMQHUAUPFDRUOT-KTBYTZPXSA-N 2 2 328.500 3.156 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000639330566 461865228 /nfs/dbraw/zinc/86/52/28/461865228.db2.gz MMQHUAUPFDRUOT-KTBYTZPXSA-N 2 2 328.500 3.156 20 0 EGADLP C[NH+]1CCN(c2ccc(NCc3cc4ccncc4s3)[nH+]c2)CC1 ZINC000656770138 461883709 /nfs/dbraw/zinc/88/37/09/461883709.db2.gz PKCCLHNPNRLLLN-UHFFFAOYSA-N 2 2 339.468 3.055 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925517 461888712 /nfs/dbraw/zinc/88/87/12/461888712.db2.gz LZZSIVBVGCEIFT-JKSUJKDBSA-N 2 2 339.483 3.219 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@H]1[NH3+] ZINC000647937415 461893454 /nfs/dbraw/zinc/89/34/54/461893454.db2.gz YJJPVEFIRHBNFS-RDTXWAMCSA-N 2 2 342.462 3.059 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@H]1[NH3+] ZINC000647937415 461893462 /nfs/dbraw/zinc/89/34/62/461893462.db2.gz YJJPVEFIRHBNFS-RDTXWAMCSA-N 2 2 342.462 3.059 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000639375209 461894151 /nfs/dbraw/zinc/89/41/51/461894151.db2.gz RWSUXYIAXMBQQK-UHFFFAOYSA-N 2 2 328.504 3.132 20 0 EGADLP c1ccc(C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCC[NH2+]C2)cc1 ZINC000656784855 461894684 /nfs/dbraw/zinc/89/46/84/461894684.db2.gz DCSVGMMRNTZVPL-JOCHJYFZSA-N 3 2 335.495 3.087 20 0 EGADLP c1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCC[NH2+]C2)cc1 ZINC000656784855 461894689 /nfs/dbraw/zinc/89/46/89/461894689.db2.gz DCSVGMMRNTZVPL-JOCHJYFZSA-N 3 2 335.495 3.087 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(Cc2c[nH+]c3cccc(C)n23)CC1 ZINC000639376703 461895889 /nfs/dbraw/zinc/89/58/89/461895889.db2.gz VQZHGBPJLAULBC-UHFFFAOYSA-N 2 2 326.488 3.483 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cnc3cccc(C)n23)CC1 ZINC000639376703 461895891 /nfs/dbraw/zinc/89/58/91/461895891.db2.gz VQZHGBPJLAULBC-UHFFFAOYSA-N 2 2 326.488 3.483 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647939056 461896083 /nfs/dbraw/zinc/89/60/83/461896083.db2.gz ZRTVCPTWMLGFKD-QGTPRVQTSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647939056 461896088 /nfs/dbraw/zinc/89/60/88/461896088.db2.gz ZRTVCPTWMLGFKD-QGTPRVQTSA-N 2 2 331.504 3.198 20 0 EGADLP Cc1ccc2[nH+]c(CN3CCC([NH2+]Cc4ccccc4)CC3)cn2c1 ZINC000660674519 461920469 /nfs/dbraw/zinc/92/04/69/461920469.db2.gz QPKYSPKFWUIPPM-UHFFFAOYSA-N 2 2 334.467 3.397 20 0 EGADLP CC(C)Cn1nccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000648004487 461934057 /nfs/dbraw/zinc/93/40/57/461934057.db2.gz LFVHZKUSAQJSEN-LJQANCHMSA-N 2 2 332.536 3.483 20 0 EGADLP CC(C)Cn1nccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000648004487 461934062 /nfs/dbraw/zinc/93/40/62/461934062.db2.gz LFVHZKUSAQJSEN-LJQANCHMSA-N 2 2 332.536 3.483 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)C1 ZINC000657310904 462034858 /nfs/dbraw/zinc/03/48/58/462034858.db2.gz RMSJYYHDGRDTGB-QGZVFWFLSA-N 3 2 338.499 3.351 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)C1 ZINC000657310904 462034863 /nfs/dbraw/zinc/03/48/63/462034863.db2.gz RMSJYYHDGRDTGB-QGZVFWFLSA-N 3 2 338.499 3.351 20 0 EGADLP Cc1c[nH]c(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000657313711 462038553 /nfs/dbraw/zinc/03/85/53/462038553.db2.gz WCTBAESRFNQNGW-HOTGVXAUSA-N 2 2 326.488 3.486 20 0 EGADLP C[N@H+](CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1 ZINC000657324383 462047282 /nfs/dbraw/zinc/04/72/82/462047282.db2.gz AGEYXIWRZDTKPC-OAQYLSRUSA-N 2 2 340.467 3.076 20 0 EGADLP C[N@@H+](CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)Cc1ccccc1 ZINC000657324383 462047287 /nfs/dbraw/zinc/04/72/87/462047287.db2.gz AGEYXIWRZDTKPC-OAQYLSRUSA-N 2 2 340.467 3.076 20 0 EGADLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c[nH+]1 ZINC000657328082 462049821 /nfs/dbraw/zinc/04/98/21/462049821.db2.gz RAKMKBARPVVPCB-HXUWFJFHSA-N 2 2 349.434 3.330 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC1CCCC1 ZINC000657351819 462065713 /nfs/dbraw/zinc/06/57/13/462065713.db2.gz GHBPMKKXBWEDQG-UHFFFAOYSA-N 2 2 341.455 3.449 20 0 EGADLP c1[nH+]c2n(c1CNc1ccc(CC[NH+]3CCSCC3)cc1)CCC2 ZINC000657407011 462101813 /nfs/dbraw/zinc/10/18/13/462101813.db2.gz GQOVFQOKEYOWSI-UHFFFAOYSA-N 2 2 342.512 3.033 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648409895 462104790 /nfs/dbraw/zinc/10/47/90/462104790.db2.gz ICKMSXSASNORNH-STQMWFEESA-N 2 2 337.851 3.070 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)n1cc[nH+]c1 ZINC000651238095 462151346 /nfs/dbraw/zinc/15/13/46/462151346.db2.gz DDLVMTLXVSKOBW-MJGOQNOKSA-N 2 2 340.471 3.178 20 0 EGADLP Cc1[nH]c2nc[nH+]c(Nc3cccc(C[NH+]4CCOCC4)c3)c2c1C ZINC000645142878 462198777 /nfs/dbraw/zinc/19/87/77/462198777.db2.gz OCXVRGYEENQLOV-UHFFFAOYSA-N 2 2 337.427 3.151 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)n1C ZINC000657601278 462201028 /nfs/dbraw/zinc/20/10/28/462201028.db2.gz IHBBZKJHIIRBFT-GOSISDBHSA-N 2 2 333.863 3.263 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)c2c1C ZINC000645180504 462220539 /nfs/dbraw/zinc/22/05/39/462220539.db2.gz QMGKKNKZKLGKDS-QGZVFWFLSA-N 2 2 335.455 3.285 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)c2c1C ZINC000645180504 462220543 /nfs/dbraw/zinc/22/05/43/462220543.db2.gz QMGKKNKZKLGKDS-QGZVFWFLSA-N 2 2 335.455 3.285 20 0 EGADLP Clc1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000661377955 462223225 /nfs/dbraw/zinc/22/32/25/462223225.db2.gz XQDAUSJZAXFNAW-UHFFFAOYSA-N 2 2 339.270 3.402 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2c1C ZINC000645229016 462244175 /nfs/dbraw/zinc/24/41/75/462244175.db2.gz FOVGHDPWCCSQSE-HDICACEKSA-N 2 2 347.466 3.143 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c2c1C ZINC000645229016 462244178 /nfs/dbraw/zinc/24/41/78/462244178.db2.gz FOVGHDPWCCSQSE-HDICACEKSA-N 2 2 347.466 3.143 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000657750282 462249875 /nfs/dbraw/zinc/24/98/75/462249875.db2.gz GCQNHVMWGAVKMQ-AWEZNQCLSA-N 2 2 346.368 3.187 20 0 EGADLP c1cc(-c2nc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cs2)cs1 ZINC000657750170 462250375 /nfs/dbraw/zinc/25/03/75/462250375.db2.gz CFHAYZJOJQCQQN-MRXNPFEDSA-N 2 2 349.525 3.215 20 0 EGADLP c1nc(C2CCCC2)sc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751499 462252159 /nfs/dbraw/zinc/25/21/59/462252159.db2.gz RFWGGAPUTJTWJA-INIZCTEOSA-N 2 2 335.517 3.144 20 0 EGADLP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750586 462252290 /nfs/dbraw/zinc/25/22/90/462252290.db2.gz BWLPKZSMOYEOHK-HXUWFJFHSA-N 2 2 340.467 3.191 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000657782151 462263949 /nfs/dbraw/zinc/26/39/49/462263949.db2.gz KTPFLKUBLQIHIF-HXUWFJFHSA-N 2 2 331.504 3.231 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657782610 462264470 /nfs/dbraw/zinc/26/44/70/462264470.db2.gz OTGIOKKAJDVSCJ-UHFFFAOYSA-N 2 2 325.334 3.178 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000651643488 462287763 /nfs/dbraw/zinc/28/77/63/462287763.db2.gz BZKZIXYXOPIJSM-IBGZPJMESA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000651643488 462287768 /nfs/dbraw/zinc/28/77/68/462287768.db2.gz BZKZIXYXOPIJSM-IBGZPJMESA-N 2 2 338.499 3.407 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000645416259 462318610 /nfs/dbraw/zinc/31/86/10/462318610.db2.gz RRJMZNUYQPFKNJ-LJQANCHMSA-N 2 2 336.907 3.362 20 0 EGADLP CCCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000648999704 462365639 /nfs/dbraw/zinc/36/56/39/462365639.db2.gz HBNSXDWQVPXSPH-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP CCCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000648999704 462365645 /nfs/dbraw/zinc/36/56/45/462365645.db2.gz HBNSXDWQVPXSPH-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP Cc1cn2ccc(NC(=O)N(C)CCCC[NH+]3CCCCC3)cc2[nH+]1 ZINC000640372805 462377278 /nfs/dbraw/zinc/37/72/78/462377278.db2.gz MRNGOIIBIFAGJD-UHFFFAOYSA-N 2 2 343.475 3.373 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CC3 ZINC000658090254 462379150 /nfs/dbraw/zinc/37/91/50/462379150.db2.gz FVUORTUJMSGGEI-CABCVRRESA-N 2 2 341.499 3.496 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CC3 ZINC000658090254 462379154 /nfs/dbraw/zinc/37/91/54/462379154.db2.gz FVUORTUJMSGGEI-CABCVRRESA-N 2 2 341.499 3.496 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](OC)C2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665275721 462379525 /nfs/dbraw/zinc/37/95/25/462379525.db2.gz PVCZYVUEIAJNNT-ZCNNSNEGSA-N 2 2 332.488 3.283 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093715 462379608 /nfs/dbraw/zinc/37/96/08/462379608.db2.gz WAUCRJCWBLRMPX-IAGOWNOFSA-N 2 2 331.504 3.483 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1 ZINC000658093715 462379611 /nfs/dbraw/zinc/37/96/11/462379611.db2.gz WAUCRJCWBLRMPX-IAGOWNOFSA-N 2 2 331.504 3.483 20 0 EGADLP CC(C)(C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2ccccc2o1 ZINC000665291720 462388539 /nfs/dbraw/zinc/38/85/39/462388539.db2.gz JGLOHNGOXHVRFW-SFHVURJKSA-N 2 2 340.427 3.264 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286935 462456433 /nfs/dbraw/zinc/45/64/33/462456433.db2.gz DMQRUNOAELEMPJ-KDOFPFPSSA-N 2 2 330.476 3.105 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000658286935 462456438 /nfs/dbraw/zinc/45/64/38/462456438.db2.gz DMQRUNOAELEMPJ-KDOFPFPSSA-N 2 2 330.476 3.105 20 0 EGADLP CSc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293895 462460001 /nfs/dbraw/zinc/46/00/01/462460001.db2.gz JUDITLABHVAZKY-QAPCUYQASA-N 2 2 334.529 3.182 20 0 EGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658292819 462460733 /nfs/dbraw/zinc/46/07/33/462460733.db2.gz BVBDSPKCFBFTML-HBMCJLEFSA-N 2 2 328.500 3.340 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658304740 462467823 /nfs/dbraw/zinc/46/78/23/462467823.db2.gz WEZUIIAHFSPADC-JKSUJKDBSA-N 2 2 340.471 3.170 20 0 EGADLP CC(C)([NH3+])CCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000649304795 462474527 /nfs/dbraw/zinc/47/45/27/462474527.db2.gz GVDBMILCRPWZLS-UHFFFAOYSA-N 2 2 326.444 3.342 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000655085730 462476701 /nfs/dbraw/zinc/47/67/01/462476701.db2.gz WXUJOSYTEARDTC-SFHVURJKSA-N 2 2 344.503 3.221 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000655083734 462477427 /nfs/dbraw/zinc/47/74/27/462477427.db2.gz DJNCZUWPKSAQEP-INIZCTEOSA-N 2 2 337.427 3.227 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000658330163 462479673 /nfs/dbraw/zinc/47/96/73/462479673.db2.gz QQVUEORRZLSIQH-DUXKGJEZSA-N 2 2 345.531 3.477 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCCC1 ZINC000658330163 462479676 /nfs/dbraw/zinc/47/96/76/462479676.db2.gz QQVUEORRZLSIQH-DUXKGJEZSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)cc2)c1C ZINC000652267877 462493012 /nfs/dbraw/zinc/49/30/12/462493012.db2.gz DPMYQPXQINMMLX-UHFFFAOYSA-N 2 2 349.438 3.203 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000662152777 462532149 /nfs/dbraw/zinc/53/21/49/462532149.db2.gz ZQXNXIRFJFIVDF-NRFANRHFSA-N 2 2 328.500 3.375 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000662152777 462532150 /nfs/dbraw/zinc/53/21/50/462532150.db2.gz ZQXNXIRFJFIVDF-NRFANRHFSA-N 2 2 328.500 3.375 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917455 527841142 /nfs/dbraw/zinc/84/11/42/527841142.db2.gz FMZIBIYUGHSHOY-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917455 527841147 /nfs/dbraw/zinc/84/11/47/527841147.db2.gz FMZIBIYUGHSHOY-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917455 527841151 /nfs/dbraw/zinc/84/11/51/527841151.db2.gz FMZIBIYUGHSHOY-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000173917455 527841158 /nfs/dbraw/zinc/84/11/58/527841158.db2.gz FMZIBIYUGHSHOY-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944201 527850843 /nfs/dbraw/zinc/85/08/43/527850843.db2.gz WEXASNAYWQOLFT-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944201 527850847 /nfs/dbraw/zinc/85/08/47/527850847.db2.gz WEXASNAYWQOLFT-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944201 527850852 /nfs/dbraw/zinc/85/08/52/527850852.db2.gz WEXASNAYWQOLFT-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000174944201 527850859 /nfs/dbraw/zinc/85/08/59/527850859.db2.gz WEXASNAYWQOLFT-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965029 527851489 /nfs/dbraw/zinc/85/14/89/527851489.db2.gz FZROQMUBOQBNLU-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965029 527851491 /nfs/dbraw/zinc/85/14/91/527851491.db2.gz FZROQMUBOQBNLU-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965029 527851500 /nfs/dbraw/zinc/85/15/00/527851500.db2.gz FZROQMUBOQBNLU-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000174965029 527851505 /nfs/dbraw/zinc/85/15/05/527851505.db2.gz FZROQMUBOQBNLU-JKSUJKDBSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@H+](CC)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000174637991 527977323 /nfs/dbraw/zinc/97/73/23/527977323.db2.gz LAUZDADFQBCWQZ-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP CCC[N@@H+](CC)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000174637991 527977326 /nfs/dbraw/zinc/97/73/26/527977326.db2.gz LAUZDADFQBCWQZ-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP CC(C)N(C)c1ccc(CN(CCC[NH3+])c2cccc(F)c2)c[nH+]1 ZINC000361587705 535024942 /nfs/dbraw/zinc/02/49/42/535024942.db2.gz PNOJFWYKYACBML-UHFFFAOYSA-N 2 2 330.451 3.421 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000354636333 535720746 /nfs/dbraw/zinc/72/07/46/535720746.db2.gz SGNYHBLJXSGWSD-CABCVRRESA-N 2 2 334.460 3.199 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000354636333 535720753 /nfs/dbraw/zinc/72/07/53/535720753.db2.gz SGNYHBLJXSGWSD-CABCVRRESA-N 2 2 334.460 3.199 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(C(=O)OC)CCC1 ZINC000353345944 535805707 /nfs/dbraw/zinc/80/57/07/535805707.db2.gz MDTFXZNJOIPMAO-QGZVFWFLSA-N 2 2 345.418 3.223 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927733 546668361 /nfs/dbraw/zinc/66/83/61/546668361.db2.gz LZHSKNUSIWCHDP-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927733 546668365 /nfs/dbraw/zinc/66/83/65/546668365.db2.gz LZHSKNUSIWCHDP-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927733 546668370 /nfs/dbraw/zinc/66/83/70/546668370.db2.gz LZHSKNUSIWCHDP-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927733 546668374 /nfs/dbraw/zinc/66/83/74/546668374.db2.gz LZHSKNUSIWCHDP-PMACEKPBSA-N 2 2 346.515 3.024 20 0 EGADLP CCc1noc(C[NH+]2CCC(n3c4ccccc4[nH+]c3CC)CC2)n1 ZINC000093301894 546683741 /nfs/dbraw/zinc/68/37/41/546683741.db2.gz FNOZPOKYBHHWPK-UHFFFAOYSA-N 2 2 339.443 3.381 20 0 EGADLP Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000093459657 546684471 /nfs/dbraw/zinc/68/44/71/546684471.db2.gz BFPVMWCPFXDOTF-IBGZPJMESA-N 2 2 344.455 3.102 20 0 EGADLP Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000093459657 546684475 /nfs/dbraw/zinc/68/44/75/546684475.db2.gz BFPVMWCPFXDOTF-IBGZPJMESA-N 2 2 344.455 3.102 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125248951 546750639 /nfs/dbraw/zinc/75/06/39/546750639.db2.gz FDUUMYTUWVPCRN-CYBMUJFWSA-N 2 2 341.440 3.076 20 0 EGADLP Cc1oc(-c2cccs2)nc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125294909 546750704 /nfs/dbraw/zinc/75/07/04/546750704.db2.gz TWIYYPVDIFEFNQ-UHFFFAOYSA-N 2 2 340.452 3.429 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784453 547458222 /nfs/dbraw/zinc/45/82/22/547458222.db2.gz WZMHDVWKMZGUPA-ZBFHGGJFSA-N 2 2 334.410 3.108 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cccc(F)c1F ZINC000305784453 547458224 /nfs/dbraw/zinc/45/82/24/547458224.db2.gz WZMHDVWKMZGUPA-ZBFHGGJFSA-N 2 2 334.410 3.108 20 0 EGADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338198389 547560984 /nfs/dbraw/zinc/56/09/84/547560984.db2.gz RQGANGPCPOAKOA-OAHLLOKOSA-N 2 2 327.428 3.334 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341684567 547589184 /nfs/dbraw/zinc/58/91/84/547589184.db2.gz OYDPXLFOMRNDBE-JTJHWIPRSA-N 2 2 348.531 3.142 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341684567 547589188 /nfs/dbraw/zinc/58/91/88/547589188.db2.gz OYDPXLFOMRNDBE-JTJHWIPRSA-N 2 2 348.531 3.142 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)CC2 ZINC000358949789 547748204 /nfs/dbraw/zinc/74/82/04/547748204.db2.gz VQVHOPOUBYICOT-LJQANCHMSA-N 2 2 340.467 3.413 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)CC2 ZINC000358949789 547748208 /nfs/dbraw/zinc/74/82/08/547748208.db2.gz VQVHOPOUBYICOT-LJQANCHMSA-N 2 2 340.467 3.413 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949055 547886055 /nfs/dbraw/zinc/88/60/55/547886055.db2.gz GENJVJVKRYDFRS-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949055 547886057 /nfs/dbraw/zinc/88/60/57/547886057.db2.gz GENJVJVKRYDFRS-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425949055 547886061 /nfs/dbraw/zinc/88/60/61/547886061.db2.gz GENJVJVKRYDFRS-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H](c1cccc(F)c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425949055 547886065 /nfs/dbraw/zinc/88/60/65/547886065.db2.gz GENJVJVKRYDFRS-UWJYYQICSA-N 2 2 342.458 3.456 20 0 EGADLP c1nc(C2CC2)c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000486975225 547969691 /nfs/dbraw/zinc/96/96/91/547969691.db2.gz XWOVMFMIIBCWNQ-UHFFFAOYSA-N 2 2 328.485 3.170 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193403 548259202 /nfs/dbraw/zinc/25/92/02/548259202.db2.gz MQWXPFZEFWKVBD-HRAATJIYSA-N 2 2 334.467 3.216 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000671193403 548259207 /nfs/dbraw/zinc/25/92/07/548259207.db2.gz MQWXPFZEFWKVBD-HRAATJIYSA-N 2 2 334.467 3.216 20 0 EGADLP CC1(C)C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241004 548266883 /nfs/dbraw/zinc/26/68/83/548266883.db2.gz MZEISZDFOSWGOQ-IBGZPJMESA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241004 548266890 /nfs/dbraw/zinc/26/68/90/548266890.db2.gz MZEISZDFOSWGOQ-IBGZPJMESA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241004 548266893 /nfs/dbraw/zinc/26/68/93/548266893.db2.gz MZEISZDFOSWGOQ-IBGZPJMESA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)CO1 ZINC000671241004 548266899 /nfs/dbraw/zinc/26/68/99/548266899.db2.gz MZEISZDFOSWGOQ-IBGZPJMESA-N 2 2 346.515 3.167 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)cn2c1 ZINC000674266312 548716065 /nfs/dbraw/zinc/71/60/65/548716065.db2.gz PABKKCLLDQUURP-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)cn2c1 ZINC000674266312 548716068 /nfs/dbraw/zinc/71/60/68/548716068.db2.gz PABKKCLLDQUURP-HXUWFJFHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccccc1-c1cnc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000675499275 548930765 /nfs/dbraw/zinc/93/07/65/548930765.db2.gz DTNPDTRZIBBFAM-UHFFFAOYSA-N 2 2 334.423 3.367 20 0 EGADLP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882663 548996765 /nfs/dbraw/zinc/99/67/65/548996765.db2.gz UFDXRPZELJWOMK-FUHWJXTLSA-N 2 2 332.488 3.379 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000678080876 549393041 /nfs/dbraw/zinc/39/30/41/549393041.db2.gz PCRPILFAXOXSRN-KXBFYZLASA-N 2 2 339.418 3.291 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000678080876 549393043 /nfs/dbraw/zinc/39/30/43/549393043.db2.gz PCRPILFAXOXSRN-KXBFYZLASA-N 2 2 339.418 3.291 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000678190554 549421261 /nfs/dbraw/zinc/42/12/61/549421261.db2.gz JQOPWIGCDUMGFS-HNNXBMFYSA-N 2 2 337.427 3.188 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000678190554 549421263 /nfs/dbraw/zinc/42/12/63/549421263.db2.gz JQOPWIGCDUMGFS-HNNXBMFYSA-N 2 2 337.427 3.188 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000678234468 549435399 /nfs/dbraw/zinc/43/53/99/549435399.db2.gz FWSZMYGJNNFKKQ-WMLDXEAASA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c1)O[C@@H](C)C2 ZINC000678234468 549435402 /nfs/dbraw/zinc/43/54/02/549435402.db2.gz FWSZMYGJNNFKKQ-WMLDXEAASA-N 2 2 327.428 3.052 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC(F)F ZINC000678235205 549436412 /nfs/dbraw/zinc/43/64/12/549436412.db2.gz PJEJEDHJFIMZFW-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC(F)F ZINC000678235205 549436415 /nfs/dbraw/zinc/43/64/15/549436415.db2.gz PJEJEDHJFIMZFW-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP CC(C)Oc1ccccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719816 549547646 /nfs/dbraw/zinc/54/76/46/549547646.db2.gz OTDGRAXCIYMPRB-FQEVSTJZSA-N 2 2 345.531 3.074 20 0 EGADLP CC(C)Oc1ccccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719816 549547649 /nfs/dbraw/zinc/54/76/49/549547649.db2.gz OTDGRAXCIYMPRB-FQEVSTJZSA-N 2 2 345.531 3.074 20 0 EGADLP c1oc(-c2ccccc2)nc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678930096 549598187 /nfs/dbraw/zinc/59/81/87/549598187.db2.gz QELRGCJOFSDHPH-IBGZPJMESA-N 2 2 341.455 3.075 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c5ccncc45)[C@@H]3C2)cc1 ZINC000680075146 549816276 /nfs/dbraw/zinc/81/62/76/549816276.db2.gz ZRWKEEUFQWWNPL-FBBABVLZSA-N 2 2 344.462 3.374 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c5ccncc45)[C@@H]3C2)cc1 ZINC000680075146 549816278 /nfs/dbraw/zinc/81/62/78/549816278.db2.gz ZRWKEEUFQWWNPL-FBBABVLZSA-N 2 2 344.462 3.374 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)n1-c1ccccc1 ZINC000682617152 550120942 /nfs/dbraw/zinc/12/09/42/550120942.db2.gz NYRYATAFODCUHB-IBGZPJMESA-N 2 2 337.471 3.444 20 0 EGADLP CO[C@H](c1ccccc1)[C@@H](C)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000683819993 550265479 /nfs/dbraw/zinc/26/54/79/550265479.db2.gz OUYPUMXPEMSJAW-UZLBHIALSA-N 2 2 340.471 3.022 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000684112107 550292659 /nfs/dbraw/zinc/29/26/59/550292659.db2.gz JETLGDMWWUITME-AABGKKOBSA-N 2 2 340.515 3.209 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000684667291 550353695 /nfs/dbraw/zinc/35/36/95/550353695.db2.gz YAVKLYBDTSRTRF-SJORKVTESA-N 2 2 347.507 3.014 20 0 EGADLP CCCOc1cccc2c(N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc[nH+]c12 ZINC000684890245 550381014 /nfs/dbraw/zinc/38/10/14/550381014.db2.gz DTMDXJWIENMPQV-RDTXWAMCSA-N 2 2 329.444 3.155 20 0 EGADLP CCCOc1cccc2c(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc[nH+]c12 ZINC000684890245 550381015 /nfs/dbraw/zinc/38/10/15/550381015.db2.gz DTMDXJWIENMPQV-RDTXWAMCSA-N 2 2 329.444 3.155 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000684956997 550388452 /nfs/dbraw/zinc/38/84/52/550388452.db2.gz FOHCDXJCEPRMCR-QZTJIDSGSA-N 2 2 331.504 3.117 20 0 EGADLP C[NH+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000685326914 550411318 /nfs/dbraw/zinc/41/13/18/550411318.db2.gz PMFZKQPQOJVFOF-NPYXIHBLSA-N 2 2 326.444 3.061 20 0 EGADLP C[NH+](C)[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685326914 550411320 /nfs/dbraw/zinc/41/13/20/550411320.db2.gz PMFZKQPQOJVFOF-NPYXIHBLSA-N 2 2 326.444 3.061 20 0 EGADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000685876312 550450905 /nfs/dbraw/zinc/45/09/05/550450905.db2.gz KRKQSRPVKASTHR-DLBZAZTESA-N 2 2 332.492 3.221 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000727465799 574669554 /nfs/dbraw/zinc/66/95/54/574669554.db2.gz KIDPVWZOGDMBDV-ULQDDVLXSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000727465799 574669556 /nfs/dbraw/zinc/66/95/56/574669556.db2.gz KIDPVWZOGDMBDV-ULQDDVLXSA-N 2 2 339.524 3.096 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]2CNc2nc(N3CCCC3)cc[nH+]2)cc1 ZINC000734145257 575441858 /nfs/dbraw/zinc/44/18/58/575441858.db2.gz KWUCXKZEFLFGKM-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]2CNc2nc(N3CCCC3)cc[nH+]2)cc1 ZINC000734145257 575441861 /nfs/dbraw/zinc/44/18/61/575441861.db2.gz KWUCXKZEFLFGKM-SFHVURJKSA-N 2 2 337.471 3.153 20 0 EGADLP S=c1n(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc(C2CC2)n1C1CC1 ZINC000738158986 576294753 /nfs/dbraw/zinc/29/47/53/576294753.db2.gz PLICAVLNKWZTQT-HNNXBMFYSA-N 2 2 344.488 3.117 20 0 EGADLP S=c1n(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nc(C2CC2)n1C1CC1 ZINC000738158986 576294756 /nfs/dbraw/zinc/29/47/56/576294756.db2.gz PLICAVLNKWZTQT-HNNXBMFYSA-N 2 2 344.488 3.117 20 0 EGADLP Fc1cc(C[NH2+]Cc2cnn(-c3ccccc3)c2)ccc1-n1cc[nH+]c1 ZINC000042205921 1291434591 /nfs/dbraw/zinc/43/45/91/1291434591.db2.gz VRCUVFNMVIAVOQ-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000071895962 1292270096 /nfs/dbraw/zinc/27/00/96/1292270096.db2.gz FHEZMEZGWUPJOO-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000071895962 1292270104 /nfs/dbraw/zinc/27/01/04/1292270104.db2.gz FHEZMEZGWUPJOO-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CCn3cc[nH+]c3)CC[C@H]21 ZINC000827933777 1292405604 /nfs/dbraw/zinc/40/56/04/1292405604.db2.gz PZFRPVQBKRUFJP-BRWVUGGUSA-N 2 2 348.491 3.041 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000079751263 1292574009 /nfs/dbraw/zinc/57/40/09/1292574009.db2.gz JKIKVUHEGIWGPM-LJQANCHMSA-N 3 2 329.532 3.363 20 0 EGADLP CC/C=C(/C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124608277 1293480105 /nfs/dbraw/zinc/48/01/05/1293480105.db2.gz BMYBFOAVESHSMS-FOQVZNEXSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C=C(/C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124608277 1293480106 /nfs/dbraw/zinc/48/01/06/1293480106.db2.gz BMYBFOAVESHSMS-FOQVZNEXSA-N 2 2 335.536 3.138 20 0 EGADLP Cn1c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000133347669 1293742051 /nfs/dbraw/zinc/74/20/51/1293742051.db2.gz IFXLHGNGLPKQCE-LBPRGKRZSA-N 2 2 340.393 3.024 20 0 EGADLP Cn1c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000133347669 1293742056 /nfs/dbraw/zinc/74/20/56/1293742056.db2.gz IFXLHGNGLPKQCE-LBPRGKRZSA-N 2 2 340.393 3.024 20 0 EGADLP Cn1c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000133347868 1293742231 /nfs/dbraw/zinc/74/22/31/1293742231.db2.gz IFXLHGNGLPKQCE-GFCCVEGCSA-N 2 2 340.393 3.024 20 0 EGADLP Cn1c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000133347868 1293742235 /nfs/dbraw/zinc/74/22/35/1293742235.db2.gz IFXLHGNGLPKQCE-GFCCVEGCSA-N 2 2 340.393 3.024 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135946012 1293804978 /nfs/dbraw/zinc/80/49/78/1293804978.db2.gz HRNGXOPUPVWWQR-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2Br)C1 ZINC000135946012 1293804986 /nfs/dbraw/zinc/80/49/86/1293804986.db2.gz HRNGXOPUPVWWQR-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC000161088659 1294284636 /nfs/dbraw/zinc/28/46/36/1294284636.db2.gz CWGSPYLTPRZWAI-NQIIRXRSSA-N 3 2 344.547 3.184 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCOC3CCCC3)CC2)cc1 ZINC000163269642 1294331733 /nfs/dbraw/zinc/33/17/33/1294331733.db2.gz FZAULIAELOYMHL-UHFFFAOYSA-N 2 2 331.504 3.270 20 0 EGADLP C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000164029639 1294342087 /nfs/dbraw/zinc/34/20/87/1294342087.db2.gz XRUJBEHFJZFAGA-AWEZNQCLSA-N 2 2 342.443 3.142 20 0 EGADLP [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000870910524 1296137826 /nfs/dbraw/zinc/13/78/26/1296137826.db2.gz PLKAKCMDABBZKX-KOMQPUFPSA-N 2 2 336.439 3.058 20 0 EGADLP CC(=O)N1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000236662361 1296195658 /nfs/dbraw/zinc/19/56/58/1296195658.db2.gz VNKUCTHIPCXXFD-OAQYLSRUSA-N 2 2 343.515 3.060 20 0 EGADLP CCOC(=O)N[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000236923837 1296212022 /nfs/dbraw/zinc/21/20/22/1296212022.db2.gz UNDFIZMQSTXUCH-KRWDZBQOSA-N 2 2 344.459 3.123 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000301465298 1296787702 /nfs/dbraw/zinc/78/77/02/1296787702.db2.gz BRIIXHOXLNLDGU-BBWFWOEESA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+](C)C ZINC000301465301 1296789966 /nfs/dbraw/zinc/78/99/66/1296789966.db2.gz BRIIXHOXLNLDGU-ZACQAIPSSA-N 2 2 341.540 3.246 20 0 EGADLP Fc1cccc(-c2ccn(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000872582285 1297012362 /nfs/dbraw/zinc/01/23/62/1297012362.db2.gz VTGZLLJUGOCGHD-UHFFFAOYSA-N 2 2 325.391 3.180 20 0 EGADLP Cn1c2ccccc2c(Br)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000873008977 1297219201 /nfs/dbraw/zinc/21/92/01/1297219201.db2.gz DNYAGIAOOXZNRV-UHFFFAOYSA-N 2 2 336.277 3.125 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203309 1297347886 /nfs/dbraw/zinc/34/78/86/1297347886.db2.gz XTLIXPBDTKLSNA-UHFFFAOYSA-N 2 2 343.496 3.081 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203309 1297347899 /nfs/dbraw/zinc/34/78/99/1297347899.db2.gz XTLIXPBDTKLSNA-UHFFFAOYSA-N 2 2 343.496 3.081 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061071 1297513526 /nfs/dbraw/zinc/51/35/26/1297513526.db2.gz DZHHJFNVFXDONM-NVXWUHKLSA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370061071 1297513531 /nfs/dbraw/zinc/51/35/31/1297513531.db2.gz DZHHJFNVFXDONM-NVXWUHKLSA-N 2 2 340.471 3.189 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000382381638 1297558413 /nfs/dbraw/zinc/55/84/13/1297558413.db2.gz FMDOXKAHFPRIRS-GVDBMIGSSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000382381638 1297558420 /nfs/dbraw/zinc/55/84/20/1297558420.db2.gz FMDOXKAHFPRIRS-GVDBMIGSSA-N 2 2 339.524 3.144 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)c(C)n2n1 ZINC000392728990 1297660425 /nfs/dbraw/zinc/66/04/25/1297660425.db2.gz UUSLCVMRPLNTJY-WMLDXEAASA-N 2 2 340.475 3.308 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000394493460 1297678215 /nfs/dbraw/zinc/67/82/15/1297678215.db2.gz CSMHDRODGDOFFF-GOSISDBHSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000394493460 1297678224 /nfs/dbraw/zinc/67/82/24/1297678224.db2.gz CSMHDRODGDOFFF-GOSISDBHSA-N 2 2 332.879 3.075 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@]4(CCC[NH2+]4)C3)CCC2)c1 ZINC000420404089 1297787973 /nfs/dbraw/zinc/78/79/73/1297787973.db2.gz NUEPVNCJKFYBDV-OAQYLSRUSA-N 2 2 344.499 3.210 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CC[C@]4(CCC[NH2+]4)C3)CCC2)c1 ZINC000420404089 1297787979 /nfs/dbraw/zinc/78/79/79/1297787979.db2.gz NUEPVNCJKFYBDV-OAQYLSRUSA-N 2 2 344.499 3.210 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000712450280 1298266596 /nfs/dbraw/zinc/26/65/96/1298266596.db2.gz IOLFLRJXUCKKSJ-GOSISDBHSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000712450280 1298266602 /nfs/dbraw/zinc/26/66/02/1298266602.db2.gz IOLFLRJXUCKKSJ-GOSISDBHSA-N 2 2 332.879 3.075 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000876828261 1299019060 /nfs/dbraw/zinc/01/90/60/1299019060.db2.gz PFSGFIMMYGQJAR-GJZGRUSLSA-N 2 2 335.517 3.143 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000877429094 1299294374 /nfs/dbraw/zinc/29/43/74/1299294374.db2.gz AWTVFOGJJJEHKZ-MRXNPFEDSA-N 2 2 342.443 3.335 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743835 1299521726 /nfs/dbraw/zinc/52/17/26/1299521726.db2.gz NBUCHHGUQOHZLH-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743835 1299521732 /nfs/dbraw/zinc/52/17/32/1299521732.db2.gz NBUCHHGUQOHZLH-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1OCC(C)C ZINC000877743835 1299521742 /nfs/dbraw/zinc/52/17/42/1299521742.db2.gz NBUCHHGUQOHZLH-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1OCC(C)C ZINC000877743835 1299521750 /nfs/dbraw/zinc/52/17/50/1299521750.db2.gz NBUCHHGUQOHZLH-MSOLQXFVSA-N 2 2 332.488 3.256 20 0 EGADLP FC(F)(F)COCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568926 1301163904 /nfs/dbraw/zinc/16/39/04/1301163904.db2.gz HIDHDSNPGGNPNE-HNNXBMFYSA-N 2 2 327.350 3.183 20 0 EGADLP C[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295303 1301437149 /nfs/dbraw/zinc/43/71/49/1301437149.db2.gz WYOKEHSZPZFRIZ-MJGOQNOKSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295303 1301437156 /nfs/dbraw/zinc/43/71/56/1301437156.db2.gz WYOKEHSZPZFRIZ-MJGOQNOKSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295304 1301437780 /nfs/dbraw/zinc/43/77/80/1301437780.db2.gz WYOKEHSZPZFRIZ-PKOBYXMFSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295304 1301437785 /nfs/dbraw/zinc/43/77/85/1301437785.db2.gz WYOKEHSZPZFRIZ-PKOBYXMFSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000765256832 1302230413 /nfs/dbraw/zinc/23/04/13/1302230413.db2.gz YGGFMXMJGYAPQX-MAUKXSAKSA-N 2 2 338.459 3.229 20 0 EGADLP OCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000766138927 1302399861 /nfs/dbraw/zinc/39/98/61/1302399861.db2.gz ZWUBEJIEFFWJAS-LJQANCHMSA-N 2 2 344.524 3.468 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137553 1302400294 /nfs/dbraw/zinc/40/02/94/1302400294.db2.gz ZZCOVTQZFMSSLA-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137553 1302400299 /nfs/dbraw/zinc/40/02/99/1302400299.db2.gz ZZCOVTQZFMSSLA-DNVCBOLYSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191710 1302407802 /nfs/dbraw/zinc/40/78/02/1302407802.db2.gz NDJQTLBCTILEQA-IRXDYDNUSA-N 2 2 331.504 3.126 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)CC2)cc1 ZINC000766602108 1302486465 /nfs/dbraw/zinc/48/64/65/1302486465.db2.gz SFWQOYIRMOSKJE-PWRODBHTSA-N 2 2 343.515 3.269 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000767626136 1302724809 /nfs/dbraw/zinc/72/48/09/1302724809.db2.gz AXHNPUAXJGLTDB-GOSISDBHSA-N 2 2 329.444 3.208 20 0 EGADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000884177750 1302765494 /nfs/dbraw/zinc/76/54/94/1302765494.db2.gz RVHPETMOWWRLFE-AWEZNQCLSA-N 2 2 338.521 3.077 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769687923 1303158589 /nfs/dbraw/zinc/15/85/89/1303158589.db2.gz GSIKBTKTUXZBIK-HRCADAONSA-N 2 2 327.513 3.142 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000769687923 1303158593 /nfs/dbraw/zinc/15/85/93/1303158593.db2.gz GSIKBTKTUXZBIK-HRCADAONSA-N 2 2 327.513 3.142 20 0 EGADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc2[nH+]ccn21 ZINC000770413985 1303265196 /nfs/dbraw/zinc/26/51/96/1303265196.db2.gz ZLFCHUWDCSHBBZ-UHFFFAOYSA-N 2 2 334.423 3.225 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000886315260 1303431453 /nfs/dbraw/zinc/43/14/53/1303431453.db2.gz CZPNBEQSNRHMRE-GHTZIAJQSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000886315260 1303431458 /nfs/dbraw/zinc/43/14/58/1303431458.db2.gz CZPNBEQSNRHMRE-GHTZIAJQSA-N 2 2 346.515 3.072 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)[nH+]c1C ZINC000886664636 1303545721 /nfs/dbraw/zinc/54/57/21/1303545721.db2.gz SNPZLAMTBTUSLO-UHFFFAOYSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccnc1Cl ZINC000773068376 1303617741 /nfs/dbraw/zinc/61/77/41/1303617741.db2.gz JIRHBWRYVKCROD-IAOVAPTHSA-N 2 2 337.895 3.154 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867722 1303619488 /nfs/dbraw/zinc/61/94/88/1303619488.db2.gz LYLAREQUORQNMB-KXBFYZLASA-N 2 2 349.906 3.441 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867722 1303619498 /nfs/dbraw/zinc/61/94/98/1303619498.db2.gz LYLAREQUORQNMB-KXBFYZLASA-N 2 2 349.906 3.441 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867943 1303619617 /nfs/dbraw/zinc/61/96/17/1303619617.db2.gz RIIUURRVBAQDDT-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867943 1303619624 /nfs/dbraw/zinc/61/96/24/1303619624.db2.gz RIIUURRVBAQDDT-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP Fc1ccccc1-c1nc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)co1 ZINC000886874788 1303622225 /nfs/dbraw/zinc/62/22/25/1303622225.db2.gz WVABBYKRJBAQAB-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccccc1-c1nc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)co1 ZINC000886874788 1303622231 /nfs/dbraw/zinc/62/22/31/1303622231.db2.gz WVABBYKRJBAQAB-LJQANCHMSA-N 2 2 329.419 3.446 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874298 1303622785 /nfs/dbraw/zinc/62/27/85/1303622785.db2.gz LBMNFCCQTVJNDI-OXJNMPFZSA-N 2 2 329.488 3.042 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874298 1303622790 /nfs/dbraw/zinc/62/27/90/1303622790.db2.gz LBMNFCCQTVJNDI-OXJNMPFZSA-N 2 2 329.488 3.042 20 0 EGADLP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000775420572 1303961738 /nfs/dbraw/zinc/96/17/38/1303961738.db2.gz YCINIORYYLYYGA-OXQOHEQNSA-N 2 2 331.504 3.126 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3c(-c4ccccc4)nc4sccn34)C[C@@H]2C1 ZINC000783643193 1305122068 /nfs/dbraw/zinc/12/20/68/1305122068.db2.gz XHJASTHRRIAPTE-IYBDPMFKSA-N 2 2 338.480 3.056 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3c(-c4ccccc4)nc4sccn34)C[C@@H]2C1 ZINC000783643193 1305122076 /nfs/dbraw/zinc/12/20/76/1305122076.db2.gz XHJASTHRRIAPTE-IYBDPMFKSA-N 2 2 338.480 3.056 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4sccn34)C[C@@H]2C1 ZINC000783643193 1305122085 /nfs/dbraw/zinc/12/20/85/1305122085.db2.gz XHJASTHRRIAPTE-IYBDPMFKSA-N 2 2 338.480 3.056 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3c(-c4ccccc4)nc4sccn34)C[C@@H]2C1 ZINC000783643193 1305122093 /nfs/dbraw/zinc/12/20/93/1305122093.db2.gz XHJASTHRRIAPTE-IYBDPMFKSA-N 2 2 338.480 3.056 20 0 EGADLP C[C@@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000785480589 1305361326 /nfs/dbraw/zinc/36/13/26/1305361326.db2.gz OBUIPMGFCPUALD-INIZCTEOSA-N 2 2 349.519 3.400 20 0 EGADLP C[C@@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000785480589 1305361338 /nfs/dbraw/zinc/36/13/38/1305361338.db2.gz OBUIPMGFCPUALD-INIZCTEOSA-N 2 2 349.519 3.400 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000892946499 1305620702 /nfs/dbraw/zinc/62/07/02/1305620702.db2.gz DNYQJLXNIAJPPZ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP COc1cccc(-c2csc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)n2)c1 ZINC000892946499 1305620707 /nfs/dbraw/zinc/62/07/07/1305620707.db2.gz DNYQJLXNIAJPPZ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CC2)CC1 ZINC000893202845 1305760595 /nfs/dbraw/zinc/76/05/95/1305760595.db2.gz PDHHGVSXYAKLFY-HNNXBMFYSA-N 2 2 339.487 3.008 20 0 EGADLP CCCCOC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789353426 1306145928 /nfs/dbraw/zinc/14/59/28/1306145928.db2.gz UCVHNVIFQGNBLN-HNNXBMFYSA-N 2 2 333.476 3.131 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn(C)nc2C2CC2)CC1 ZINC000894079344 1306205401 /nfs/dbraw/zinc/20/54/01/1306205401.db2.gz FKBGASPAKRZZPW-UHFFFAOYSA-N 2 2 326.444 3.044 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000894196524 1306272281 /nfs/dbraw/zinc/27/22/81/1306272281.db2.gz ZEVDWAJTLLHJAJ-UHFFFAOYSA-N 2 2 343.471 3.307 20 0 EGADLP Cc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc(Cl)n1 ZINC000797600635 1310219136 /nfs/dbraw/zinc/21/91/36/1310219136.db2.gz BIZDJMFUGITRIL-MRXNPFEDSA-N 2 2 345.878 3.191 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164579 1310496267 /nfs/dbraw/zinc/49/62/67/1310496267.db2.gz LVUYPSZVLSPPRI-YOEHRIQHSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164579 1310496271 /nfs/dbraw/zinc/49/62/71/1310496271.db2.gz LVUYPSZVLSPPRI-YOEHRIQHSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cnn(CC2CCC2)c1 ZINC000898180343 1310616860 /nfs/dbraw/zinc/61/68/60/1310616860.db2.gz XVJCUNPQFLOLJZ-MRXNPFEDSA-N 2 2 339.487 3.398 20 0 EGADLP CC[C@H](C)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824597691 1320269008 /nfs/dbraw/zinc/26/90/08/1320269008.db2.gz WOGRIHYSDNTXME-JXFKEZNVSA-N 2 2 333.520 3.372 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1)[NH+](C)C ZINC000957356375 1317306839 /nfs/dbraw/zinc/30/68/39/1317306839.db2.gz OMMSMGJIUSOHBK-YLJYHZDGSA-N 2 2 345.531 3.355 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827791 1317428191 /nfs/dbraw/zinc/42/81/91/1317428191.db2.gz WMAXARVUWMVFCA-GOSISDBHSA-N 2 2 348.491 3.105 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827791 1317428195 /nfs/dbraw/zinc/42/81/95/1317428195.db2.gz WMAXARVUWMVFCA-GOSISDBHSA-N 2 2 348.491 3.105 20 0 EGADLP CC(C)=CC[NH+]1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000957541762 1317438473 /nfs/dbraw/zinc/43/84/73/1317438473.db2.gz DAMPAPAQJADKPO-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000957586586 1317479505 /nfs/dbraw/zinc/47/95/05/1317479505.db2.gz NYTYUXBRVHLAHV-GOSISDBHSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902815089 1317619533 /nfs/dbraw/zinc/61/95/33/1317619533.db2.gz SOEMRTBRJBMPAV-KDOFPFPSSA-N 2 2 327.453 3.492 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)c1ccccc1 ZINC000957790386 1317645376 /nfs/dbraw/zinc/64/53/76/1317645376.db2.gz UHOVMYFCGUXPIZ-FQEVSTJZSA-N 2 2 343.515 3.014 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3F)no2)CCC1 ZINC000903812386 1317736261 /nfs/dbraw/zinc/73/62/61/1317736261.db2.gz SGWLDHPUBHNXDC-INIZCTEOSA-N 2 2 344.434 3.359 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccccc3F)no2)CCC1 ZINC000903812386 1317736269 /nfs/dbraw/zinc/73/62/69/1317736269.db2.gz SGWLDHPUBHNXDC-INIZCTEOSA-N 2 2 344.434 3.359 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000903899834 1317745028 /nfs/dbraw/zinc/74/50/28/1317745028.db2.gz WGWAHXPSLDRATD-HZSPNIEDSA-N 2 2 332.460 3.399 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000903899834 1317745033 /nfs/dbraw/zinc/74/50/33/1317745033.db2.gz WGWAHXPSLDRATD-HZSPNIEDSA-N 2 2 332.460 3.399 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000903954262 1317756811 /nfs/dbraw/zinc/75/68/11/1317756811.db2.gz BSBKQQCUWYHNBS-SNVBAGLBSA-N 2 2 339.213 3.336 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000858244997 1328721199 /nfs/dbraw/zinc/72/11/99/1328721199.db2.gz AGAZKYWCOHZHAV-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000858244997 1328721203 /nfs/dbraw/zinc/72/12/03/1328721203.db2.gz AGAZKYWCOHZHAV-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP Cc1ccc(NC(=O)C2CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC2)nc1 ZINC000904309637 1317828485 /nfs/dbraw/zinc/82/84/85/1317828485.db2.gz NRDJAASIVVDRMD-KRWDZBQOSA-N 2 2 346.519 3.194 20 0 EGADLP COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1OC(C)C ZINC000904461882 1317851040 /nfs/dbraw/zinc/85/10/40/1317851040.db2.gz PLGGVACEQJBBEH-YLJYHZDGSA-N 2 2 326.440 3.197 20 0 EGADLP C[C@H](C[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)CO)c1ccccc1 ZINC000809774718 1317895390 /nfs/dbraw/zinc/89/53/90/1317895390.db2.gz PTCVNFNLILCNHQ-CVEARBPZSA-N 2 2 347.528 3.191 20 0 EGADLP C[C@H](C[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)CO)c1ccccc1 ZINC000809774718 1317895395 /nfs/dbraw/zinc/89/53/95/1317895395.db2.gz PTCVNFNLILCNHQ-CVEARBPZSA-N 2 2 347.528 3.191 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1ccc2ccccc2c1 ZINC001020818633 1317947186 /nfs/dbraw/zinc/94/71/86/1317947186.db2.gz VTPHBCCCDJFQJL-NIKGAXFTSA-N 2 2 348.450 3.103 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2c[nH+]cn2CC)C1 ZINC000908251756 1318318721 /nfs/dbraw/zinc/31/87/21/1318318721.db2.gz NBVBDTOCRAJKDC-SJORKVTESA-N 2 2 332.492 3.079 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2c[nH+]cn2CC)C1 ZINC000908251756 1318318728 /nfs/dbraw/zinc/31/87/28/1318318728.db2.gz NBVBDTOCRAJKDC-SJORKVTESA-N 2 2 332.492 3.079 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC000960062430 1318336472 /nfs/dbraw/zinc/33/64/72/1318336472.db2.gz VIANGDASBQKCLM-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP CC(C)C[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)n1cc[nH+]c1 ZINC000908491170 1318352749 /nfs/dbraw/zinc/35/27/49/1318352749.db2.gz UKSNTEHCDVGUSW-SFHVURJKSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000812825475 1318464556 /nfs/dbraw/zinc/46/45/56/1318464556.db2.gz USCUHODCGWDIBF-HNNXBMFYSA-N 2 2 346.441 3.304 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640983 1318497568 /nfs/dbraw/zinc/49/75/68/1318497568.db2.gz AWOULRMWMCEEIE-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640983 1318497574 /nfs/dbraw/zinc/49/75/74/1318497574.db2.gz AWOULRMWMCEEIE-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000813323096 1318532554 /nfs/dbraw/zinc/53/25/54/1318532554.db2.gz LJESXMFCHXMDHE-MRXNPFEDSA-N 2 2 327.476 3.038 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000960592789 1318723518 /nfs/dbraw/zinc/72/35/18/1318723518.db2.gz BLCRSKPJBLDDEM-DAWZGUTISA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000960592789 1318723524 /nfs/dbraw/zinc/72/35/24/1318723524.db2.gz BLCRSKPJBLDDEM-DAWZGUTISA-N 2 2 346.519 3.091 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1Cl ZINC000815127030 1318902859 /nfs/dbraw/zinc/90/28/59/1318902859.db2.gz JSNPQRYKYQPHCB-SWLSCSKDSA-N 2 2 338.908 3.308 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1Cl ZINC000815127030 1318902868 /nfs/dbraw/zinc/90/28/68/1318902868.db2.gz JSNPQRYKYQPHCB-SWLSCSKDSA-N 2 2 338.908 3.308 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423950 1318935495 /nfs/dbraw/zinc/93/54/95/1318935495.db2.gz OPXDRGVBGWCRPR-ZACQAIPSSA-N 2 2 348.450 3.254 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)c(C)[nH+]1 ZINC001022463017 1318950607 /nfs/dbraw/zinc/95/06/07/1318950607.db2.gz YKTBIBKJHKHTMN-FQBWVUSXSA-N 2 2 341.499 3.293 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001022776180 1319101893 /nfs/dbraw/zinc/10/18/93/1319101893.db2.gz WAXYDLCWYWVEDE-OLMNPRSZSA-N 2 2 340.471 3.074 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187532 1319302304 /nfs/dbraw/zinc/30/23/04/1319302304.db2.gz LOXQWZZLRKDAIR-JKSUJKDBSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187532 1319302314 /nfs/dbraw/zinc/30/23/14/1319302314.db2.gz LOXQWZZLRKDAIR-JKSUJKDBSA-N 2 2 340.471 3.147 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000817940062 1319469020 /nfs/dbraw/zinc/46/90/20/1319469020.db2.gz CPTMNOJKKXNDCX-QFBILLFUSA-N 3 2 331.504 3.084 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961433262 1319586620 /nfs/dbraw/zinc/58/66/20/1319586620.db2.gz VUOOYDFDPHEWOM-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000961433262 1319586626 /nfs/dbraw/zinc/58/66/26/1319586626.db2.gz VUOOYDFDPHEWOM-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514447 1319620161 /nfs/dbraw/zinc/62/01/61/1319620161.db2.gz MJYJTWJTSGGWRL-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001023514447 1319620174 /nfs/dbraw/zinc/62/01/74/1319620174.db2.gz MJYJTWJTSGGWRL-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819078647 1319629708 /nfs/dbraw/zinc/62/97/08/1319629708.db2.gz KIRCKPLUOUNKED-CVEARBPZSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c2nccn21 ZINC000825016952 1320304311 /nfs/dbraw/zinc/30/43/11/1320304311.db2.gz JVEWPGHVUHDLLM-KXBFYZLASA-N 2 2 339.487 3.214 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000825915960 1320370660 /nfs/dbraw/zinc/37/06/60/1320370660.db2.gz FUQSFBXXKBCVHZ-UHFFFAOYSA-N 2 2 340.393 3.133 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000825915960 1320370663 /nfs/dbraw/zinc/37/06/63/1320370663.db2.gz FUQSFBXXKBCVHZ-UHFFFAOYSA-N 2 2 340.393 3.133 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1Cl ZINC000827497394 1320457146 /nfs/dbraw/zinc/45/71/46/1320457146.db2.gz WIVFWJXHOVBYFZ-RYUDHWBXSA-N 2 2 335.810 3.302 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2cc1Cl ZINC000827497394 1320457149 /nfs/dbraw/zinc/45/71/49/1320457149.db2.gz WIVFWJXHOVBYFZ-RYUDHWBXSA-N 2 2 335.810 3.302 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841062920 1321211944 /nfs/dbraw/zinc/21/19/44/1321211944.db2.gz ZIIJUWJUWBYUJW-XJKSGUPXSA-N 2 2 332.879 3.123 20 0 EGADLP Cc1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(N(C)C)[nH+]1 ZINC000841155006 1321227639 /nfs/dbraw/zinc/22/76/39/1321227639.db2.gz QLDBBIFUHUHZMU-MRXNPFEDSA-N 2 2 341.459 3.058 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000859215645 1328949379 /nfs/dbraw/zinc/94/93/79/1328949379.db2.gz MPXSPDRXAANOGL-UHFFFAOYSA-N 2 2 336.439 3.430 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000859215645 1328949384 /nfs/dbraw/zinc/94/93/84/1328949384.db2.gz MPXSPDRXAANOGL-UHFFFAOYSA-N 2 2 336.439 3.430 20 0 EGADLP NC(Cc1cccnc1)=[NH+]OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000842036168 1321337841 /nfs/dbraw/zinc/33/78/41/1321337841.db2.gz KUOIJBMSWZETGV-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CC[C@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053093 1321462327 /nfs/dbraw/zinc/46/23/27/1321462327.db2.gz WXXBVGOSNWKQGC-FUHWJXTLSA-N 2 2 346.906 3.452 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053093 1321462328 /nfs/dbraw/zinc/46/23/28/1321462328.db2.gz WXXBVGOSNWKQGC-FUHWJXTLSA-N 2 2 346.906 3.452 20 0 EGADLP Cc1ccc(-n2c(Cl)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])nc2N(C)C)cc1 ZINC000843126912 1321474425 /nfs/dbraw/zinc/47/44/25/1321474425.db2.gz BAKDFNHLMAZYSC-ZIAGYGMSSA-N 2 2 349.910 3.116 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000845926505 1321754106 /nfs/dbraw/zinc/75/41/06/1321754106.db2.gz FCHNEVXOBJZCMC-KRWDZBQOSA-N 2 2 335.423 3.244 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC2(Br)CC2)CC1 ZINC000846877641 1321819487 /nfs/dbraw/zinc/81/94/87/1321819487.db2.gz BJGRBPSCUPZBFL-UHFFFAOYSA-N 2 2 325.250 3.161 20 0 EGADLP CC(C)Oc1ccc(NC(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000849069732 1322065572 /nfs/dbraw/zinc/06/55/72/1322065572.db2.gz VCOYVLGYSVOXNM-UHFFFAOYSA-N 2 2 341.459 3.186 20 0 EGADLP [NH2+]=C(NCCCCn1cc[nH+]c1)Nc1ccccc1OC(F)(F)F ZINC000849107264 1322081385 /nfs/dbraw/zinc/08/13/85/1322081385.db2.gz HKPZRRHADFGHOA-UHFFFAOYSA-N 2 2 341.337 3.198 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ncc(C)o1 ZINC000922330130 1322502881 /nfs/dbraw/zinc/50/28/81/1322502881.db2.gz YMOBQQZCXPCDIS-UHFFFAOYSA-N 2 2 327.432 3.287 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000924632912 1323085638 /nfs/dbraw/zinc/08/56/38/1323085638.db2.gz SZLUQSUEPNPZLU-YSSFQJQWSA-N 2 2 349.494 3.101 20 0 EGADLP COc1ccccc1[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccccn1 ZINC000924731122 1323137871 /nfs/dbraw/zinc/13/78/71/1323137871.db2.gz HYGYTKMTHPWCKZ-FQEVSTJZSA-N 2 2 336.439 3.446 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000924772498 1323155290 /nfs/dbraw/zinc/15/52/90/1323155290.db2.gz BYIQLCYJJTYFKP-AHRSYUTCSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000924772498 1323155295 /nfs/dbraw/zinc/15/52/95/1323155295.db2.gz BYIQLCYJJTYFKP-AHRSYUTCSA-N 2 2 331.479 3.259 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000924777493 1323159638 /nfs/dbraw/zinc/15/96/38/1323159638.db2.gz QAOZJSRCQDDVNC-HUUCEWRRSA-N 2 2 343.471 3.363 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000924777493 1323159643 /nfs/dbraw/zinc/15/96/43/1323159643.db2.gz QAOZJSRCQDDVNC-HUUCEWRRSA-N 2 2 343.471 3.363 20 0 EGADLP CC1([NH+]2CCCC2)CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000931223001 1329074215 /nfs/dbraw/zinc/07/42/15/1329074215.db2.gz CWZCIGRGEDSRIK-UHFFFAOYSA-N 2 2 341.459 3.253 20 0 EGADLP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001024236628 1323223121 /nfs/dbraw/zinc/22/31/21/1323223121.db2.gz MZQLRZGRATZEJJ-QGZVFWFLSA-N 2 2 346.519 3.096 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708492 1323229854 /nfs/dbraw/zinc/22/98/54/1323229854.db2.gz CCSUYHFIFRCCMU-DYVFJYSZSA-N 2 2 342.405 3.297 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708492 1323229866 /nfs/dbraw/zinc/22/98/66/1323229866.db2.gz CCSUYHFIFRCCMU-DYVFJYSZSA-N 2 2 342.405 3.297 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853094143 1323277826 /nfs/dbraw/zinc/27/78/26/1323277826.db2.gz YSVNSSVURWNEQJ-HNNXBMFYSA-N 2 2 338.927 3.409 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853094143 1323277835 /nfs/dbraw/zinc/27/78/35/1323277835.db2.gz YSVNSSVURWNEQJ-HNNXBMFYSA-N 2 2 338.927 3.409 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510404 1323458474 /nfs/dbraw/zinc/45/84/74/1323458474.db2.gz LHIVZODQAYZYGC-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510404 1323458478 /nfs/dbraw/zinc/45/84/78/1323458478.db2.gz LHIVZODQAYZYGC-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227070 1324014508 /nfs/dbraw/zinc/01/45/08/1324014508.db2.gz MNDKJARTHAFBKL-QZTJIDSGSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227070 1324014513 /nfs/dbraw/zinc/01/45/13/1324014513.db2.gz MNDKJARTHAFBKL-QZTJIDSGSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293869 1324121996 /nfs/dbraw/zinc/12/19/96/1324121996.db2.gz VMMXCUZBSKBKEM-RTBURBONSA-N 2 2 344.503 3.072 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001025293869 1324121999 /nfs/dbraw/zinc/12/19/99/1324121999.db2.gz VMMXCUZBSKBKEM-RTBURBONSA-N 2 2 344.503 3.072 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000860095695 1329145102 /nfs/dbraw/zinc/14/51/02/1329145102.db2.gz RRSKHGBXSAQKAE-HNNXBMFYSA-N 2 2 344.459 3.217 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000860095695 1329145105 /nfs/dbraw/zinc/14/51/05/1329145105.db2.gz RRSKHGBXSAQKAE-HNNXBMFYSA-N 2 2 344.459 3.217 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480998 1324329501 /nfs/dbraw/zinc/32/95/01/1324329501.db2.gz CSXDWLVYKAURDL-SJORKVTESA-N 2 2 340.471 3.131 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480998 1324329509 /nfs/dbraw/zinc/32/95/09/1324329509.db2.gz CSXDWLVYKAURDL-SJORKVTESA-N 2 2 340.471 3.131 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001026598499 1324923246 /nfs/dbraw/zinc/92/32/46/1324923246.db2.gz JZFBEBAXCIBBFR-UHFFFAOYSA-N 2 2 344.503 3.168 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(O[C@@H]2CCOC2)c1 ZINC000925267858 1325106081 /nfs/dbraw/zinc/10/60/81/1325106081.db2.gz JSXNVOKZRYXPAE-VAMGGRTRSA-N 2 2 344.499 3.269 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c(O[C@@H]2CCOC2)c1 ZINC000925267858 1325106086 /nfs/dbraw/zinc/10/60/86/1325106086.db2.gz JSXNVOKZRYXPAE-VAMGGRTRSA-N 2 2 344.499 3.269 20 0 EGADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cn(C)cn1 ZINC000925281402 1325112690 /nfs/dbraw/zinc/11/26/90/1325112690.db2.gz XYMNWJMVURXETP-ZACQAIPSSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925419805 1325145983 /nfs/dbraw/zinc/14/59/83/1325145983.db2.gz DFOPMZXCKKXEAX-FZKQIMNGSA-N 2 2 334.410 3.411 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368241 1325174183 /nfs/dbraw/zinc/17/41/83/1325174183.db2.gz VAPIJSCMAGOEJA-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368241 1325174186 /nfs/dbraw/zinc/17/41/86/1325174186.db2.gz VAPIJSCMAGOEJA-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP [NH3+][C@H]1C[C@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512978 1325185687 /nfs/dbraw/zinc/18/56/87/1325185687.db2.gz GOLJJFGJUXWVSN-ROUUACIJSA-N 2 2 333.907 3.164 20 0 EGADLP c1ccc(COCc2cccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c2)cc1 ZINC000925546849 1325201475 /nfs/dbraw/zinc/20/14/75/1325201475.db2.gz QKZLSSPJNJIUMU-IACLWVNRSA-N 2 2 348.490 3.489 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556078 1325207237 /nfs/dbraw/zinc/20/72/37/1325207237.db2.gz JTLXPDMOSMBOPR-PPLKHSGQSA-N 3 2 327.516 3.003 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556078 1325207245 /nfs/dbraw/zinc/20/72/45/1325207245.db2.gz JTLXPDMOSMBOPR-PPLKHSGQSA-N 3 2 327.516 3.003 20 0 EGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793259 1325303919 /nfs/dbraw/zinc/30/39/19/1325303919.db2.gz HYMPPXSNWQEMNM-AEFFLSMTSA-N 2 2 332.488 3.283 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(OC(F)F)c1 ZINC000925795754 1325304567 /nfs/dbraw/zinc/30/45/67/1325304567.db2.gz PLSYBHKYWPGWEE-HIFRSBDPSA-N 2 2 340.414 3.097 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cn1 ZINC000926745281 1327696497 /nfs/dbraw/zinc/69/64/97/1327696497.db2.gz NDQYOHYYVCCDQC-SXLOBPIMSA-N 2 2 330.520 3.128 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000926745281 1327696507 /nfs/dbraw/zinc/69/65/07/1327696507.db2.gz NDQYOHYYVCCDQC-SXLOBPIMSA-N 2 2 330.520 3.128 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595042 1327941112 /nfs/dbraw/zinc/94/11/12/1327941112.db2.gz UAWRQTKOEKUYLB-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595042 1327941114 /nfs/dbraw/zinc/94/11/14/1327941114.db2.gz UAWRQTKOEKUYLB-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609235 1327970395 /nfs/dbraw/zinc/97/03/95/1327970395.db2.gz BKTRCKHSYWEZAE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609235 1327970399 /nfs/dbraw/zinc/97/03/99/1327970399.db2.gz BKTRCKHSYWEZAE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027609235 1327970403 /nfs/dbraw/zinc/97/04/03/1327970403.db2.gz BKTRCKHSYWEZAE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027609235 1327970407 /nfs/dbraw/zinc/97/04/07/1327970407.db2.gz BKTRCKHSYWEZAE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000866239520 1330083746 /nfs/dbraw/zinc/08/37/46/1330083746.db2.gz SHZBCJYHOCEHFU-LJQANCHMSA-N 2 2 334.423 3.361 20 0 EGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1 ZINC000866665815 1330139053 /nfs/dbraw/zinc/13/90/53/1330139053.db2.gz HQFMYRJZAWJUDG-WBMJQRKESA-N 2 2 344.286 3.107 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000866666520 1330139650 /nfs/dbraw/zinc/13/96/50/1330139650.db2.gz RCHLGQLIXDXJKU-QAPCUYQASA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)co1 ZINC000866666520 1330139653 /nfs/dbraw/zinc/13/96/53/1330139653.db2.gz RCHLGQLIXDXJKU-QAPCUYQASA-N 2 2 341.455 3.314 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839840 1331214429 /nfs/dbraw/zinc/21/44/29/1331214429.db2.gz PWDBFQKSKKMNOR-QGZVFWFLSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839840 1331214434 /nfs/dbraw/zinc/21/44/34/1331214434.db2.gz PWDBFQKSKKMNOR-QGZVFWFLSA-N 2 2 328.460 3.049 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948451502 1333531246 /nfs/dbraw/zinc/53/12/46/1333531246.db2.gz AQNZODSBVSFBRC-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948451502 1333531248 /nfs/dbraw/zinc/53/12/48/1333531248.db2.gz AQNZODSBVSFBRC-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000948451502 1333531249 /nfs/dbraw/zinc/53/12/49/1333531249.db2.gz AQNZODSBVSFBRC-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000948451502 1333531253 /nfs/dbraw/zinc/53/12/53/1333531253.db2.gz AQNZODSBVSFBRC-BRWVUGGUSA-N 2 2 346.519 3.262 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616592 1333598113 /nfs/dbraw/zinc/59/81/13/1333598113.db2.gz JMNOLOKBJTUJJZ-IRXDYDNUSA-N 2 2 342.487 3.307 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616592 1333598117 /nfs/dbraw/zinc/59/81/17/1333598117.db2.gz JMNOLOKBJTUJJZ-IRXDYDNUSA-N 2 2 342.487 3.307 20 0 EGADLP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950787459 1334129147 /nfs/dbraw/zinc/12/91/47/1334129147.db2.gz NTXMTPZJCJFTIN-INIZCTEOSA-N 2 2 348.450 3.011 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCC2CCCC2)C1 ZINC000969973002 1336268265 /nfs/dbraw/zinc/26/82/65/1336268265.db2.gz JOSMEWGJJJVNCQ-CQSZACIVSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC000970128279 1336282579 /nfs/dbraw/zinc/28/25/79/1336282579.db2.gz FRUOANPGKLRSTH-FUHWJXTLSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH+]2CCC(N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001006191709 1336464604 /nfs/dbraw/zinc/46/46/04/1336464604.db2.gz GNKKEIHUZFTXJF-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006341840 1336492464 /nfs/dbraw/zinc/49/24/64/1336492464.db2.gz ZUXUAAMBRCJKPZ-UHFFFAOYSA-N 2 2 346.519 3.154 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007530791 1336665147 /nfs/dbraw/zinc/66/51/47/1336665147.db2.gz WFKHSOPTINLKNH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007530791 1336665149 /nfs/dbraw/zinc/66/51/49/1336665149.db2.gz WFKHSOPTINLKNH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007530791 1336665150 /nfs/dbraw/zinc/66/51/50/1336665150.db2.gz WFKHSOPTINLKNH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007530791 1336665152 /nfs/dbraw/zinc/66/51/52/1336665152.db2.gz WFKHSOPTINLKNH-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806755 1371175134 /nfs/dbraw/zinc/17/51/34/1371175134.db2.gz HLKWUFASJPPODR-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206806755 1371175136 /nfs/dbraw/zinc/17/51/36/1371175136.db2.gz HLKWUFASJPPODR-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014809167 1337913570 /nfs/dbraw/zinc/91/35/70/1337913570.db2.gz CFPRCOVDDUDHNT-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014809167 1337913575 /nfs/dbraw/zinc/91/35/75/1337913575.db2.gz CFPRCOVDDUDHNT-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001014809167 1337913580 /nfs/dbraw/zinc/91/35/80/1337913580.db2.gz CFPRCOVDDUDHNT-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001014809167 1337913583 /nfs/dbraw/zinc/91/35/83/1337913583.db2.gz CFPRCOVDDUDHNT-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940706 1337960886 /nfs/dbraw/zinc/96/08/86/1337960886.db2.gz LOSNNOLLLGZEDV-OXJNMPFZSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(N[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940706 1337960889 /nfs/dbraw/zinc/96/08/89/1337960889.db2.gz LOSNNOLLLGZEDV-OXJNMPFZSA-N 2 2 346.434 3.055 20 0 EGADLP C[N@H+](C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001017238449 1338972415 /nfs/dbraw/zinc/97/24/15/1338972415.db2.gz QKZISNKMKQXFKF-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001017238449 1338972416 /nfs/dbraw/zinc/97/24/16/1338972416.db2.gz QKZISNKMKQXFKF-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029359966 1340977095 /nfs/dbraw/zinc/97/70/95/1340977095.db2.gz PCMVWWQFQJUEDP-CALCHBBNSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029359966 1340977097 /nfs/dbraw/zinc/97/70/97/1340977097.db2.gz PCMVWWQFQJUEDP-CALCHBBNSA-N 2 2 338.455 3.042 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001029495847 1341000505 /nfs/dbraw/zinc/00/05/05/1341000505.db2.gz VAWZNZONJQDDFP-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001029495847 1341000507 /nfs/dbraw/zinc/00/05/07/1341000507.db2.gz VAWZNZONJQDDFP-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856299 1341097072 /nfs/dbraw/zinc/09/70/72/1341097072.db2.gz LKSKSCQDUJLMFO-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856299 1341097073 /nfs/dbraw/zinc/09/70/73/1341097073.db2.gz LKSKSCQDUJLMFO-HKUYNNGSSA-N 2 2 346.519 3.195 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001030400741 1341184650 /nfs/dbraw/zinc/18/46/50/1341184650.db2.gz DNUKTEPHMBBSGC-XLIONFOSSA-N 2 2 343.515 3.039 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001030400741 1341184651 /nfs/dbraw/zinc/18/46/51/1341184651.db2.gz DNUKTEPHMBBSGC-XLIONFOSSA-N 2 2 343.515 3.039 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001030532070 1341195234 /nfs/dbraw/zinc/19/52/34/1341195234.db2.gz DRQAUZKSTWVQFZ-UZLBHIALSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001030532070 1341195235 /nfs/dbraw/zinc/19/52/35/1341195235.db2.gz DRQAUZKSTWVQFZ-UZLBHIALSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)c1 ZINC001031049959 1341270084 /nfs/dbraw/zinc/27/00/84/1341270084.db2.gz UPRGINLRCIFTNM-ZWKOTPCHSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1ccc(C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001031772030 1341399667 /nfs/dbraw/zinc/39/96/67/1341399667.db2.gz CYSMSYBCVIPLNR-UHFFFAOYSA-N 2 2 348.450 3.042 20 0 EGADLP Cc1ccc(C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001031773128 1341399726 /nfs/dbraw/zinc/39/97/26/1341399726.db2.gz NDXAIQDKEXFVTN-UHFFFAOYSA-N 2 2 348.450 3.042 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001031844264 1341410823 /nfs/dbraw/zinc/41/08/23/1341410823.db2.gz HLJVOCOREJVIDE-INIZCTEOSA-N 2 2 348.450 3.066 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033595834 1341889436 /nfs/dbraw/zinc/88/94/36/1341889436.db2.gz VLFGFBCYBGZPDG-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033595834 1341889438 /nfs/dbraw/zinc/88/94/38/1341889438.db2.gz VLFGFBCYBGZPDG-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001034745016 1342732737 /nfs/dbraw/zinc/73/27/37/1342732737.db2.gz CXDMOAXJAGFIAE-XSLAGTTESA-N 2 2 346.519 3.186 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001034802332 1342767545 /nfs/dbraw/zinc/76/75/45/1342767545.db2.gz YBWIOYULRHJRQO-WGSAOQKQSA-N 2 2 346.519 3.261 20 0 EGADLP O=C(NCc1ccc(C[NH2+]CC2CCC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001034819976 1342783061 /nfs/dbraw/zinc/78/30/61/1342783061.db2.gz DJWUTEGINOWLQJ-UHFFFAOYSA-N 2 2 348.450 3.383 20 0 EGADLP O=C(NCc1ccc(C[NH2+]CC2CCC2)cc1)c1cccc2[nH+]ccn21 ZINC001034820817 1342783777 /nfs/dbraw/zinc/78/37/77/1342783777.db2.gz YWDHZFGDCRNNNY-UHFFFAOYSA-N 2 2 348.450 3.154 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001034992762 1342867141 /nfs/dbraw/zinc/86/71/41/1342867141.db2.gz HNTQFYSNLGUPGA-SJLPKXTDSA-N 2 2 348.450 3.290 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001036277498 1343392161 /nfs/dbraw/zinc/39/21/61/1343392161.db2.gz ZBRWVMGIJYIPRC-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037209500 1344044241 /nfs/dbraw/zinc/04/42/41/1344044241.db2.gz CCPSXGUWTANKCB-DOTOQJQBSA-N 2 2 340.471 3.241 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037883260 1344158952 /nfs/dbraw/zinc/15/89/52/1344158952.db2.gz KHDVTHLPEAQXOB-WBVHZDCISA-N 2 2 340.471 3.193 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1C/C=C/c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416881 1344419597 /nfs/dbraw/zinc/41/95/97/1344419597.db2.gz PWHWYAWLEVRUBC-WEBJUUICSA-N 2 2 346.434 3.080 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1C/C=C/c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001038416881 1344419599 /nfs/dbraw/zinc/41/95/99/1344419599.db2.gz PWHWYAWLEVRUBC-WEBJUUICSA-N 2 2 346.434 3.080 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220448 1344937721 /nfs/dbraw/zinc/93/77/21/1344937721.db2.gz ACCSUJVIZAGGEV-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039220448 1344937724 /nfs/dbraw/zinc/93/77/24/1344937724.db2.gz ACCSUJVIZAGGEV-QZTJIDSGSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426968 1345491176 /nfs/dbraw/zinc/49/11/76/1345491176.db2.gz ZMEFZHRIMQPNIM-AZUAARDMSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426968 1345491177 /nfs/dbraw/zinc/49/11/77/1345491177.db2.gz ZMEFZHRIMQPNIM-AZUAARDMSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426971 1345491236 /nfs/dbraw/zinc/49/12/36/1345491236.db2.gz ZMEFZHRIMQPNIM-UYAOXDASSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001040426971 1345491238 /nfs/dbraw/zinc/49/12/38/1345491238.db2.gz ZMEFZHRIMQPNIM-UYAOXDASSA-N 2 2 344.503 3.115 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042312930 1346028900 /nfs/dbraw/zinc/02/89/00/1346028900.db2.gz GNKUTVJECGYELY-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042312930 1346028903 /nfs/dbraw/zinc/02/89/03/1346028903.db2.gz GNKUTVJECGYELY-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP CN(C(=O)c1occc1C[NH+](C)C)C1C[NH+](CCCC2CCCC2)C1 ZINC001043667711 1346198486 /nfs/dbraw/zinc/19/84/86/1346198486.db2.gz QCIPJZCJBQUIME-UHFFFAOYSA-N 2 2 347.503 3.068 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579460 1346373590 /nfs/dbraw/zinc/37/35/90/1346373590.db2.gz HEGVMEVALZQOKI-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628716 1346386778 /nfs/dbraw/zinc/38/67/78/1346386778.db2.gz XWCYWDCKHCFAJN-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628716 1346386781 /nfs/dbraw/zinc/38/67/81/1346386781.db2.gz XWCYWDCKHCFAJN-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001044694468 1346405170 /nfs/dbraw/zinc/40/51/70/1346405170.db2.gz SDEBYRBVOBGUKM-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001044802767 1346431313 /nfs/dbraw/zinc/43/13/13/1346431313.db2.gz YUVHXPQKBSWPDN-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044809872 1346432610 /nfs/dbraw/zinc/43/26/10/1346432610.db2.gz RWMLMXLKOHNDGY-NVXWUHKLSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876713 1346452604 /nfs/dbraw/zinc/45/26/04/1346452604.db2.gz BTMFPKOAMLZZKF-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935802 1346773257 /nfs/dbraw/zinc/77/32/57/1346773257.db2.gz SZUGWGNBFFGFQM-FQEVSTJZSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001045935802 1346773259 /nfs/dbraw/zinc/77/32/59/1346773259.db2.gz SZUGWGNBFFGFQM-FQEVSTJZSA-N 2 2 344.503 3.013 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739714 1347078502 /nfs/dbraw/zinc/07/85/02/1347078502.db2.gz UEUVYIZDEYOZNU-JXFKEZNVSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046739714 1347078505 /nfs/dbraw/zinc/07/85/05/1347078505.db2.gz UEUVYIZDEYOZNU-JXFKEZNVSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001048051939 1347453393 /nfs/dbraw/zinc/45/33/93/1347453393.db2.gz ZSECKUJMARBPBD-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049552961 1347906041 /nfs/dbraw/zinc/90/60/41/1347906041.db2.gz RJXJLEDEAUMGKJ-RBUKOAKNSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049552961 1347906042 /nfs/dbraw/zinc/90/60/42/1347906042.db2.gz RJXJLEDEAUMGKJ-RBUKOAKNSA-N 2 2 338.455 3.042 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554005 1347906233 /nfs/dbraw/zinc/90/62/33/1347906233.db2.gz YSUXSBABCMAKON-ZOCIIQOWSA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049554005 1347906234 /nfs/dbraw/zinc/90/62/34/1347906234.db2.gz YSUXSBABCMAKON-ZOCIIQOWSA-N 2 2 340.471 3.288 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759466 1348004866 /nfs/dbraw/zinc/00/48/66/1348004866.db2.gz PNOPKQXBCYJVLC-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759466 1348004868 /nfs/dbraw/zinc/00/48/68/1348004868.db2.gz PNOPKQXBCYJVLC-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077295 1348174684 /nfs/dbraw/zinc/17/46/84/1348174684.db2.gz QUJOCPAZAXXNBD-ZRGWGRIASA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001050077295 1348174686 /nfs/dbraw/zinc/17/46/86/1348174686.db2.gz QUJOCPAZAXXNBD-ZRGWGRIASA-N 2 2 340.471 3.145 20 0 EGADLP CC1CCC(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001050383765 1348245363 /nfs/dbraw/zinc/24/53/63/1348245363.db2.gz VYTKGXSWCNSCLB-VNGAXPGBSA-N 2 2 346.519 3.043 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052898371 1348733903 /nfs/dbraw/zinc/73/39/03/1348733903.db2.gz YPQBCSSTYNTRQV-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052898371 1348733904 /nfs/dbraw/zinc/73/39/04/1348733904.db2.gz YPQBCSSTYNTRQV-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001053105618 1348943262 /nfs/dbraw/zinc/94/32/62/1348943262.db2.gz QAIHMWFFLRRXFW-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001053105618 1348943267 /nfs/dbraw/zinc/94/32/67/1348943267.db2.gz QAIHMWFFLRRXFW-HKUYNNGSSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962350 1357440115 /nfs/dbraw/zinc/44/01/15/1357440115.db2.gz FIXUJNMDBNXQTO-CXAGYDPISA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962350 1357440116 /nfs/dbraw/zinc/44/01/16/1357440116.db2.gz FIXUJNMDBNXQTO-CXAGYDPISA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2C1 ZINC001054274063 1349275349 /nfs/dbraw/zinc/27/53/49/1349275349.db2.gz PNRLQPSFAZKOCY-UHFFFAOYSA-N 2 2 348.450 3.236 20 0 EGADLP CC(C)C[N@H+]1Cc2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2C1 ZINC001054274063 1349275353 /nfs/dbraw/zinc/27/53/53/1349275353.db2.gz PNRLQPSFAZKOCY-UHFFFAOYSA-N 2 2 348.450 3.236 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054798606 1349465330 /nfs/dbraw/zinc/46/53/30/1349465330.db2.gz XKTDVZKZZPJTRK-SCLBCKFNSA-N 2 2 340.471 3.049 20 0 EGADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001054951347 1349526160 /nfs/dbraw/zinc/52/61/60/1349526160.db2.gz LYAWWVTYCKYQAT-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)=CC[N@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071511999 1354735371 /nfs/dbraw/zinc/73/53/71/1354735371.db2.gz SPOUXBNIBOBPMS-CRAIPNDOSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071511999 1354735374 /nfs/dbraw/zinc/73/53/74/1354735374.db2.gz SPOUXBNIBOBPMS-CRAIPNDOSA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711631 1354869589 /nfs/dbraw/zinc/86/95/89/1354869589.db2.gz BDKODVILTZGUOQ-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1C ZINC001071711631 1354869596 /nfs/dbraw/zinc/86/95/96/1354869596.db2.gz BDKODVILTZGUOQ-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458366 1356389927 /nfs/dbraw/zinc/38/99/27/1356389927.db2.gz DETJQFMLJQVCFT-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001075458366 1356389931 /nfs/dbraw/zinc/38/99/31/1356389931.db2.gz DETJQFMLJQVCFT-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496175 1387313216 /nfs/dbraw/zinc/31/32/16/1387313216.db2.gz HVJUBPUJMWZNEH-MSOLQXFVSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001183496193 1387313391 /nfs/dbraw/zinc/31/33/91/1387313391.db2.gz IVEFXLLGOZBRRH-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673432 1358677151 /nfs/dbraw/zinc/67/71/51/1358677151.db2.gz XMLCNKANGCJNBM-CRAIPNDOSA-N 2 2 348.450 3.470 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673432 1358677157 /nfs/dbraw/zinc/67/71/57/1358677157.db2.gz XMLCNKANGCJNBM-CRAIPNDOSA-N 2 2 348.450 3.470 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673411 1358677730 /nfs/dbraw/zinc/67/77/30/1358677730.db2.gz WUOKLSKIIHJBIZ-QGZVFWFLSA-N 2 2 338.455 3.210 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673411 1358677735 /nfs/dbraw/zinc/67/77/35/1358677735.db2.gz WUOKLSKIIHJBIZ-QGZVFWFLSA-N 2 2 338.455 3.210 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001088349855 1359836362 /nfs/dbraw/zinc/83/63/62/1359836362.db2.gz GVVMWOIAUQFNHU-GOSISDBHSA-N 2 2 329.488 3.391 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088419312 1359889239 /nfs/dbraw/zinc/88/92/39/1359889239.db2.gz MZCNOARDWYHVIH-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001089206964 1360252634 /nfs/dbraw/zinc/25/26/34/1360252634.db2.gz VCAIFGVCCMGVTJ-IBGZPJMESA-N 2 2 344.503 3.087 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001089206964 1360252635 /nfs/dbraw/zinc/25/26/35/1360252635.db2.gz VCAIFGVCCMGVTJ-IBGZPJMESA-N 2 2 344.503 3.087 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089539966 1360497356 /nfs/dbraw/zinc/49/73/56/1360497356.db2.gz PZCAVWAQVYNYGY-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)CC(C)(C)C1 ZINC001089539966 1360497357 /nfs/dbraw/zinc/49/73/57/1360497357.db2.gz PZCAVWAQVYNYGY-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693817 1360598852 /nfs/dbraw/zinc/59/88/52/1360598852.db2.gz PGTZWFOPSOWFSI-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693817 1360598856 /nfs/dbraw/zinc/59/88/56/1360598856.db2.gz PGTZWFOPSOWFSI-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001184852133 1387549391 /nfs/dbraw/zinc/54/93/91/1387549391.db2.gz SYZPGTSKKRPDNB-QAPCUYQASA-N 2 2 331.504 3.495 20 0 EGADLP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001184852135 1387549459 /nfs/dbraw/zinc/54/94/59/1387549459.db2.gz SYZPGTSKKRPDNB-YJBOKZPZSA-N 2 2 331.504 3.495 20 0 EGADLP CCC[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098833700 1363486641 /nfs/dbraw/zinc/48/66/41/1363486641.db2.gz SPXRNPXFLHSHHQ-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165644 1363665753 /nfs/dbraw/zinc/66/57/53/1363665753.db2.gz OGUZQPGLXLOLML-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165644 1363665756 /nfs/dbraw/zinc/66/57/56/1363665756.db2.gz OGUZQPGLXLOLML-QGZVFWFLSA-N 2 2 348.535 3.316 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099263697 1363721629 /nfs/dbraw/zinc/72/16/29/1363721629.db2.gz IMKFIZCPTNNINP-FUHWJXTLSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001099263697 1363721630 /nfs/dbraw/zinc/72/16/30/1363721630.db2.gz IMKFIZCPTNNINP-FUHWJXTLSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099263697 1363721634 /nfs/dbraw/zinc/72/16/34/1363721634.db2.gz IMKFIZCPTNNINP-FUHWJXTLSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001099263697 1363721635 /nfs/dbraw/zinc/72/16/35/1363721635.db2.gz IMKFIZCPTNNINP-FUHWJXTLSA-N 2 2 348.535 3.385 20 0 EGADLP CC(=O)c1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cs1 ZINC001324513829 1387657611 /nfs/dbraw/zinc/65/76/11/1387657611.db2.gz NOMMDLNBJXGACR-UHFFFAOYSA-N 2 2 326.381 3.092 20 0 EGADLP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145623 1365408092 /nfs/dbraw/zinc/40/80/92/1365408092.db2.gz NCBBLROMKIRCTO-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145623 1365408094 /nfs/dbraw/zinc/40/80/94/1365408094.db2.gz NCBBLROMKIRCTO-HUUCEWRRSA-N 2 2 328.460 3.051 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C)c(C)[nH+]1 ZINC001103253601 1365458774 /nfs/dbraw/zinc/45/87/74/1365458774.db2.gz CVPHJKHKNVQJMJ-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C)c(C)[nH+]1 ZINC001103253601 1365458776 /nfs/dbraw/zinc/45/87/76/1365458776.db2.gz CVPHJKHKNVQJMJ-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677382 1365722961 /nfs/dbraw/zinc/72/29/61/1365722961.db2.gz ZWNWQMIMRZQDHA-MYOVTOPRSA-N 2 2 346.519 3.081 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677382 1365722965 /nfs/dbraw/zinc/72/29/65/1365722965.db2.gz ZWNWQMIMRZQDHA-MYOVTOPRSA-N 2 2 346.519 3.081 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103687977 1365728814 /nfs/dbraw/zinc/72/88/14/1365728814.db2.gz DAIIDVFVQFWHAK-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001103687977 1365728816 /nfs/dbraw/zinc/72/88/16/1365728816.db2.gz DAIIDVFVQFWHAK-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC[NH2+]C/C=C\Cl ZINC001104352370 1365982941 /nfs/dbraw/zinc/98/29/41/1365982941.db2.gz QZCOZRGHCQMXQD-HJHBSRAZSA-N 2 2 346.862 3.003 20 0 EGADLP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414224 1366014092 /nfs/dbraw/zinc/01/40/92/1366014092.db2.gz JPIDYOZYJBOQLF-BRWVUGGUSA-N 2 2 342.487 3.068 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001104777398 1366168502 /nfs/dbraw/zinc/16/85/02/1366168502.db2.gz ISVXLTWAQADPNY-RCCFBDPRSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104777398 1366168504 /nfs/dbraw/zinc/16/85/04/1366168504.db2.gz ISVXLTWAQADPNY-RCCFBDPRSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001104954476 1366240964 /nfs/dbraw/zinc/24/09/64/1366240964.db2.gz DHCCTCSCZAPVJC-NVXWUHKLSA-N 2 2 348.535 3.161 20 0 EGADLP CC[NH2+]CC1([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001105549208 1366524706 /nfs/dbraw/zinc/52/47/06/1366524706.db2.gz DGSJTPZNWWUJJV-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566509 1366534951 /nfs/dbraw/zinc/53/49/51/1366534951.db2.gz OKKUDRFGJHOLLV-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567953 1366535898 /nfs/dbraw/zinc/53/58/98/1366535898.db2.gz BKXHPUFKUMDQQR-AEFFLSMTSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567953 1366535900 /nfs/dbraw/zinc/53/59/00/1366535900.db2.gz BKXHPUFKUMDQQR-AEFFLSMTSA-N 2 2 346.519 3.138 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321452 1367476515 /nfs/dbraw/zinc/47/65/15/1367476515.db2.gz VCAIKLQOZSWOAV-RTRPANQVSA-N 2 2 340.471 3.227 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321452 1367476520 /nfs/dbraw/zinc/47/65/20/1367476520.db2.gz VCAIKLQOZSWOAV-RTRPANQVSA-N 2 2 340.471 3.227 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([N@H+](C)CCCCCF)C2)c(C)[nH+]1 ZINC001191451180 1367506128 /nfs/dbraw/zinc/50/61/28/1367506128.db2.gz YZXQPIYXIXAJHJ-KRWDZBQOSA-N 2 2 335.467 3.293 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)c(C)[nH+]1 ZINC001191451180 1367506132 /nfs/dbraw/zinc/50/61/32/1367506132.db2.gz YZXQPIYXIXAJHJ-KRWDZBQOSA-N 2 2 335.467 3.293 20 0 EGADLP CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587470 1367535609 /nfs/dbraw/zinc/53/56/09/1367535609.db2.gz XWXSSIRPDGXBEP-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587470 1367535614 /nfs/dbraw/zinc/53/56/14/1367535614.db2.gz XWXSSIRPDGXBEP-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885601 1368529832 /nfs/dbraw/zinc/52/98/32/1368529832.db2.gz VMYHVGOSRNQUGP-BUXHUDTESA-N 2 2 344.503 3.161 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001111885601 1368529836 /nfs/dbraw/zinc/52/98/36/1368529836.db2.gz VMYHVGOSRNQUGP-BUXHUDTESA-N 2 2 344.503 3.161 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](CCCC(C)(C)C)CC2)c[nH+]1 ZINC001196269342 1368579190 /nfs/dbraw/zinc/57/91/90/1368579190.db2.gz UESGTMBDHMMWIC-UHFFFAOYSA-N 2 2 348.535 3.287 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](CCCC(C)(C)C)CC2)c[nH+]1 ZINC001196269342 1368579191 /nfs/dbraw/zinc/57/91/91/1368579191.db2.gz UESGTMBDHMMWIC-UHFFFAOYSA-N 2 2 348.535 3.287 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268187 1368579549 /nfs/dbraw/zinc/57/95/49/1368579549.db2.gz CGVXTBQSMVCPET-FPLPWBNLSA-N 2 2 346.519 3.207 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001196268187 1368579555 /nfs/dbraw/zinc/57/95/55/1368579555.db2.gz CGVXTBQSMVCPET-FPLPWBNLSA-N 2 2 346.519 3.207 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197283470 1368779466 /nfs/dbraw/zinc/77/94/66/1368779466.db2.gz NMOOHUFDTNLKCV-DUMMIQTOSA-N 2 2 332.492 3.115 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197283470 1368779469 /nfs/dbraw/zinc/77/94/69/1368779469.db2.gz NMOOHUFDTNLKCV-DUMMIQTOSA-N 2 2 332.492 3.115 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001197929663 1368926143 /nfs/dbraw/zinc/92/61/43/1368926143.db2.gz KFKWSXYGSOGNMH-ACJLOTCBSA-N 2 2 349.837 3.118 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001197929663 1368926147 /nfs/dbraw/zinc/92/61/47/1368926147.db2.gz KFKWSXYGSOGNMH-ACJLOTCBSA-N 2 2 349.837 3.118 20 0 EGADLP CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590330 1368939885 /nfs/dbraw/zinc/93/98/85/1368939885.db2.gz PCIMCPNOKSEVCR-ICSRJNTNSA-N 2 2 346.519 3.072 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198007089 1368940991 /nfs/dbraw/zinc/94/09/91/1368940991.db2.gz KEKPIFSDKPNMGU-QZTJIDSGSA-N 2 2 345.531 3.473 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198007089 1368940995 /nfs/dbraw/zinc/94/09/95/1368940995.db2.gz KEKPIFSDKPNMGU-QZTJIDSGSA-N 2 2 345.531 3.473 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001199266297 1369200362 /nfs/dbraw/zinc/20/03/62/1369200362.db2.gz GXFPGUZONLEUAZ-MSOLQXFVSA-N 2 2 345.531 3.374 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001199266297 1369200365 /nfs/dbraw/zinc/20/03/65/1369200365.db2.gz GXFPGUZONLEUAZ-MSOLQXFVSA-N 2 2 345.531 3.374 20 0 EGADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1)[NH+](CC)CC ZINC001113341057 1369359448 /nfs/dbraw/zinc/35/94/48/1369359448.db2.gz JBQFZJBNCXTMNI-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]CCCC3CCC3)CC2)c[nH+]1 ZINC001201230739 1369500610 /nfs/dbraw/zinc/50/06/10/1369500610.db2.gz UXOUBYCEAUDCEN-UHFFFAOYSA-N 2 2 346.519 3.088 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520726 1369564645 /nfs/dbraw/zinc/56/46/45/1369564645.db2.gz LZNNCQHEDNRLAN-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520726 1369564652 /nfs/dbraw/zinc/56/46/52/1369564652.db2.gz LZNNCQHEDNRLAN-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001113686714 1369565011 /nfs/dbraw/zinc/56/50/11/1369565011.db2.gz RSILCOUWSDFWLM-SFHVURJKSA-N 2 2 345.531 3.355 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001113686714 1369565014 /nfs/dbraw/zinc/56/50/14/1369565014.db2.gz RSILCOUWSDFWLM-SFHVURJKSA-N 2 2 345.531 3.355 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c(C)c[nH+]1 ZINC001202245767 1369722663 /nfs/dbraw/zinc/72/26/63/1369722663.db2.gz PSZKIDKDYZRUPZ-GOSISDBHSA-N 2 2 344.503 3.239 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203011840 1369953736 /nfs/dbraw/zinc/95/37/36/1369953736.db2.gz BVMNEUCAOSEBLM-IAGOWNOFSA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203011840 1369953743 /nfs/dbraw/zinc/95/37/43/1369953743.db2.gz BVMNEUCAOSEBLM-IAGOWNOFSA-N 2 2 346.519 3.186 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203536709 1370159784 /nfs/dbraw/zinc/15/97/84/1370159784.db2.gz FLJVKKREMLCPJY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001203536709 1370159787 /nfs/dbraw/zinc/15/97/87/1370159787.db2.gz FLJVKKREMLCPJY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001203536709 1370159792 /nfs/dbraw/zinc/15/97/92/1370159792.db2.gz FLJVKKREMLCPJY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001203536709 1370159798 /nfs/dbraw/zinc/15/97/98/1370159798.db2.gz FLJVKKREMLCPJY-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001203969689 1370334906 /nfs/dbraw/zinc/33/49/06/1370334906.db2.gz CJQZWQNZOKHVQU-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP CCCCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)cc1 ZINC001203969689 1370334909 /nfs/dbraw/zinc/33/49/09/1370334909.db2.gz CJQZWQNZOKHVQU-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP CCCCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)cc1 ZINC001203969689 1370334913 /nfs/dbraw/zinc/33/49/13/1370334913.db2.gz CJQZWQNZOKHVQU-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP CCCCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)cc1 ZINC001203969689 1370334916 /nfs/dbraw/zinc/33/49/16/1370334916.db2.gz CJQZWQNZOKHVQU-AZUAARDMSA-N 2 2 332.488 3.018 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204043031 1370357211 /nfs/dbraw/zinc/35/72/11/1370357211.db2.gz KFFZTDBCGBXLNV-GOSISDBHSA-N 2 2 327.472 3.243 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204043031 1370357213 /nfs/dbraw/zinc/35/72/13/1370357213.db2.gz KFFZTDBCGBXLNV-GOSISDBHSA-N 2 2 327.472 3.243 20 0 EGADLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c2ccccc21 ZINC001204315120 1370440794 /nfs/dbraw/zinc/44/07/94/1370440794.db2.gz SAVKKQCGSDKPBQ-QZTJIDSGSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c2ccccc21 ZINC001204317421 1370442306 /nfs/dbraw/zinc/44/23/06/1370442306.db2.gz UWCKDNDFRZSLRS-RTBURBONSA-N 2 2 346.478 3.137 20 0 EGADLP COCC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204485362 1370487736 /nfs/dbraw/zinc/48/77/36/1370487736.db2.gz SGTJRHORKTVDLH-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP COCC[N@@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001204485362 1370487740 /nfs/dbraw/zinc/48/77/40/1370487740.db2.gz SGTJRHORKTVDLH-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510354 1370509237 /nfs/dbraw/zinc/50/92/37/1370509237.db2.gz RMNMURFIORDYEM-PLNGDYQASA-N 2 2 346.519 3.497 20 0 EGADLP COCOc1cc(C)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(C)c1 ZINC001204611784 1370529921 /nfs/dbraw/zinc/52/99/21/1370529921.db2.gz CKSILWDYZKGWAW-IBGZPJMESA-N 2 2 340.467 3.486 20 0 EGADLP COCOc1cc(C)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(C)c1 ZINC001204611784 1370529925 /nfs/dbraw/zinc/52/99/25/1370529925.db2.gz CKSILWDYZKGWAW-IBGZPJMESA-N 2 2 340.467 3.486 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115566836 1370567042 /nfs/dbraw/zinc/56/70/42/1370567042.db2.gz AVCUCGMCJZCUMU-UHFFFAOYSA-N 2 2 346.500 3.013 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115566836 1370567046 /nfs/dbraw/zinc/56/70/46/1370567046.db2.gz AVCUCGMCJZCUMU-UHFFFAOYSA-N 2 2 346.500 3.013 20 0 EGADLP Cc1ccc(C[N@@H+]2CCO[C@H](CC[NH3+])C2)c(OCc2ccccc2)c1 ZINC001204755332 1370567791 /nfs/dbraw/zinc/56/77/91/1370567791.db2.gz GNJLRURYHJTSRW-HXUWFJFHSA-N 2 2 340.467 3.124 20 0 EGADLP Cc1ccc(C[N@H+]2CCO[C@H](CC[NH3+])C2)c(OCc2ccccc2)c1 ZINC001204755332 1370567792 /nfs/dbraw/zinc/56/77/92/1370567792.db2.gz GNJLRURYHJTSRW-HXUWFJFHSA-N 2 2 340.467 3.124 20 0 EGADLP CCC[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCCCC1 ZINC001115583783 1370585658 /nfs/dbraw/zinc/58/56/58/1370585658.db2.gz YLLGLDFCDXMHKV-KRWDZBQOSA-N 2 2 334.508 3.289 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC001115655613 1370641985 /nfs/dbraw/zinc/64/19/85/1370641985.db2.gz AHIQFKKGWAHLLZ-ARJAWSKDSA-N 2 2 332.492 3.038 20 0 EGADLP C[NH+](C)CCCOc1ccc(-c2ccccc2Cn2cc[nH+]c2)cn1 ZINC001205240255 1370692008 /nfs/dbraw/zinc/69/20/08/1370692008.db2.gz XCXCOJHMFPFDNB-UHFFFAOYSA-N 2 2 336.439 3.324 20 0 EGADLP COc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(Cl)cc1O ZINC001205299925 1370712214 /nfs/dbraw/zinc/71/22/14/1370712214.db2.gz SMUMEWWZVYEPBN-UHFFFAOYSA-N 2 2 326.868 3.266 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752420 1370733713 /nfs/dbraw/zinc/73/37/13/1370733713.db2.gz BJPSKCDKGTVIDE-IAGOWNOFSA-N 2 2 334.508 3.289 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])n2)cc1 ZINC001205826831 1370884497 /nfs/dbraw/zinc/88/44/97/1370884497.db2.gz CHBTYBVLSYBFMX-QAPCUYQASA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])n2)cc1 ZINC001205826831 1370884503 /nfs/dbraw/zinc/88/45/03/1370884503.db2.gz CHBTYBVLSYBFMX-QAPCUYQASA-N 2 2 325.456 3.316 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351119 1370891707 /nfs/dbraw/zinc/89/17/07/1370891707.db2.gz ZKZDWGNXFACWOT-YJBOKZPZSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351119 1370891713 /nfs/dbraw/zinc/89/17/13/1370891713.db2.gz ZKZDWGNXFACWOT-YJBOKZPZSA-N 2 2 347.409 3.278 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013794 1370938988 /nfs/dbraw/zinc/93/89/88/1370938988.db2.gz UIKKRIMJVRDWMJ-JQWIXIFHSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013794 1370938993 /nfs/dbraw/zinc/93/89/93/1370938993.db2.gz UIKKRIMJVRDWMJ-JQWIXIFHSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027299 1370941979 /nfs/dbraw/zinc/94/19/79/1370941979.db2.gz VUWJIZUTDMVLED-GJZGRUSLSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206027299 1370941980 /nfs/dbraw/zinc/94/19/80/1370941980.db2.gz VUWJIZUTDMVLED-GJZGRUSLSA-N 3 2 332.879 3.333 20 0 EGADLP Cc1c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Br ZINC001206197924 1370990783 /nfs/dbraw/zinc/99/07/83/1370990783.db2.gz KKRBBEULLKCBRG-HUUCEWRRSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)ccc1Br ZINC001206197924 1370990786 /nfs/dbraw/zinc/99/07/86/1370990786.db2.gz KKRBBEULLKCBRG-HUUCEWRRSA-N 2 2 329.257 3.327 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238145 1371000027 /nfs/dbraw/zinc/00/00/27/1371000027.db2.gz INKPVRAEEGFSBZ-KRWDZBQOSA-N 2 2 346.519 3.238 20 0 EGADLP CCCCCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206427836 1371051552 /nfs/dbraw/zinc/05/15/52/1371051552.db2.gz NDBPDVXUOJZURW-KRWDZBQOSA-N 2 2 334.508 3.243 20 0 EGADLP CN(C)c1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001117616712 1371056232 /nfs/dbraw/zinc/05/62/32/1371056232.db2.gz GVRUZUNDDKSVNC-SFHVURJKSA-N 2 2 330.520 3.236 20 0 EGADLP CN(C)c1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001117616712 1371056235 /nfs/dbraw/zinc/05/62/35/1371056235.db2.gz GVRUZUNDDKSVNC-SFHVURJKSA-N 2 2 330.520 3.236 20 0 EGADLP COc1cc(Cl)cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001117712860 1371067867 /nfs/dbraw/zinc/06/78/67/1371067867.db2.gz KGMBTTGCDBOAJT-UHFFFAOYSA-N 2 2 342.786 3.490 20 0 EGADLP Cc1cncc(Br)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573162 1371097794 /nfs/dbraw/zinc/09/77/94/1371097794.db2.gz IZNMVHGDCKOWCX-HNNXBMFYSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1cncc(Br)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206573162 1371097798 /nfs/dbraw/zinc/09/77/98/1371097798.db2.gz IZNMVHGDCKOWCX-HNNXBMFYSA-N 2 2 326.282 3.103 20 0 EGADLP COc1cccnc1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001206610241 1371108335 /nfs/dbraw/zinc/10/83/35/1371108335.db2.gz CCUYSRFQEWOPMO-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1F ZINC001206770937 1371159614 /nfs/dbraw/zinc/15/96/14/1371159614.db2.gz VCVLCHJAMOEVTD-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1F ZINC001206770937 1371159616 /nfs/dbraw/zinc/15/96/16/1371159616.db2.gz VCVLCHJAMOEVTD-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)n1C ZINC001206792114 1371167601 /nfs/dbraw/zinc/16/76/01/1371167601.db2.gz FPYQTXVSDDTXOM-GOSISDBHSA-N 2 2 325.456 3.267 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805244 1371174463 /nfs/dbraw/zinc/17/44/63/1371174463.db2.gz BAUHKTGFVWVRHB-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206805244 1371174464 /nfs/dbraw/zinc/17/44/64/1371174464.db2.gz BAUHKTGFVWVRHB-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001206862088 1371192649 /nfs/dbraw/zinc/19/26/49/1371192649.db2.gz DVVGDRWZBSRYKK-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ncsc1C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001206862088 1371192654 /nfs/dbraw/zinc/19/26/54/1371192654.db2.gz DVVGDRWZBSRYKK-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ncsc1C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001206862088 1371192659 /nfs/dbraw/zinc/19/26/59/1371192659.db2.gz DVVGDRWZBSRYKK-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ncsc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001206862088 1371192664 /nfs/dbraw/zinc/19/26/64/1371192664.db2.gz DVVGDRWZBSRYKK-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)sc2C1 ZINC001118629170 1371208038 /nfs/dbraw/zinc/20/80/38/1371208038.db2.gz CFYBEKXZNCSGJM-GOEBONIOSA-N 2 2 333.545 3.480 20 0 EGADLP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)sc2C1 ZINC001118629170 1371208045 /nfs/dbraw/zinc/20/80/45/1371208045.db2.gz CFYBEKXZNCSGJM-GOEBONIOSA-N 2 2 333.545 3.480 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC001118863054 1371242778 /nfs/dbraw/zinc/24/27/78/1371242778.db2.gz GNRGMIMXRQRXRQ-MRXNPFEDSA-N 2 2 344.528 3.050 20 0 EGADLP Fc1cnc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC001207098017 1371293142 /nfs/dbraw/zinc/29/31/42/1371293142.db2.gz DVAYZUCXTXZBKE-UHFFFAOYSA-N 2 2 343.421 3.458 20 0 EGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207125809 1371302700 /nfs/dbraw/zinc/30/27/00/1371302700.db2.gz KAADZSGJZRWUGH-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207125809 1371302704 /nfs/dbraw/zinc/30/27/04/1371302704.db2.gz KAADZSGJZRWUGH-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138941 1371307494 /nfs/dbraw/zinc/30/74/94/1371307494.db2.gz HKKVSEJHUALJMJ-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138941 1371307496 /nfs/dbraw/zinc/30/74/96/1371307496.db2.gz HKKVSEJHUALJMJ-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138941 1371307499 /nfs/dbraw/zinc/30/74/99/1371307499.db2.gz HKKVSEJHUALJMJ-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207138941 1371307503 /nfs/dbraw/zinc/30/75/03/1371307503.db2.gz HKKVSEJHUALJMJ-MOPGFXCFSA-N 2 2 325.456 3.245 20 0 EGADLP c1cn(C2CC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)c[nH+]1 ZINC001207292739 1371353055 /nfs/dbraw/zinc/35/30/55/1371353055.db2.gz YGLIQFLVCQQYMQ-UHFFFAOYSA-N 3 2 338.499 3.432 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC[C@@H]3CCCO)cc2)CC1 ZINC001119631760 1371379146 /nfs/dbraw/zinc/37/91/46/1371379146.db2.gz DEIKNQIYFNZKIU-YLJYHZDGSA-N 2 2 331.504 3.182 20 0 EGADLP Fc1ccccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207499643 1371415609 /nfs/dbraw/zinc/41/56/09/1371415609.db2.gz WCMFQVSTIQLINF-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207499643 1371415612 /nfs/dbraw/zinc/41/56/12/1371415612.db2.gz WCMFQVSTIQLINF-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207499643 1371415616 /nfs/dbraw/zinc/41/56/16/1371415616.db2.gz WCMFQVSTIQLINF-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207499643 1371415618 /nfs/dbraw/zinc/41/56/18/1371415618.db2.gz WCMFQVSTIQLINF-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207600634 1371448219 /nfs/dbraw/zinc/44/82/19/1371448219.db2.gz VYKWSGKNVHGMMT-PMACEKPBSA-N 2 2 339.458 3.217 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120069040 1371477058 /nfs/dbraw/zinc/47/70/58/1371477058.db2.gz SCIMGXIPFPBJLF-AATRIKPKSA-N 2 2 346.519 3.416 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001207831958 1371514631 /nfs/dbraw/zinc/51/46/31/1371514631.db2.gz IKBRXRVJTMUUGX-KDURUIRLSA-N 2 2 333.479 3.177 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001207831958 1371514637 /nfs/dbraw/zinc/51/46/37/1371514637.db2.gz IKBRXRVJTMUUGX-KDURUIRLSA-N 2 2 333.479 3.177 20 0 EGADLP c1ccc(C2(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001207831958 1371514640 /nfs/dbraw/zinc/51/46/40/1371514640.db2.gz IKBRXRVJTMUUGX-KDURUIRLSA-N 2 2 333.479 3.177 20 0 EGADLP c1ccc(C2(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)CC2)cc1 ZINC001207831958 1371514645 /nfs/dbraw/zinc/51/46/45/1371514645.db2.gz IKBRXRVJTMUUGX-KDURUIRLSA-N 2 2 333.479 3.177 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208084187 1371591387 /nfs/dbraw/zinc/59/13/87/1371591387.db2.gz OWAHAICCEKHOPR-UHFFFAOYSA-N 2 2 330.451 3.009 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208084187 1371591391 /nfs/dbraw/zinc/59/13/91/1371591391.db2.gz OWAHAICCEKHOPR-UHFFFAOYSA-N 2 2 330.451 3.009 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411175 1371757216 /nfs/dbraw/zinc/75/72/16/1371757216.db2.gz OLRIDNZQBUILBW-JTHGQSKGSA-N 2 2 346.519 3.254 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208421131 1371762071 /nfs/dbraw/zinc/76/20/71/1371762071.db2.gz WPYSRHYCLCSLKS-MJSXRHKHSA-N 2 2 326.444 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001208648550 1371851958 /nfs/dbraw/zinc/85/19/58/1371851958.db2.gz KCZPJBQQIMRDIP-CQSZACIVSA-N 2 2 343.393 3.153 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208700461 1371867068 /nfs/dbraw/zinc/86/70/68/1371867068.db2.gz JRZBKCJPQARZSE-RXVVDRJESA-N 2 2 346.515 3.167 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](C)OCc2ccccc2)CC1 ZINC001208700461 1371867072 /nfs/dbraw/zinc/86/70/72/1371867072.db2.gz JRZBKCJPQARZSE-RXVVDRJESA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)Oc1ncccc1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001208787726 1371896891 /nfs/dbraw/zinc/89/68/91/1371896891.db2.gz GPWQZLOEVOUBOP-UHFFFAOYSA-N 2 2 331.504 3.362 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824420 1371906699 /nfs/dbraw/zinc/90/66/99/1371906699.db2.gz HVTVNQKWLOIKAM-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824420 1371906703 /nfs/dbraw/zinc/90/67/03/1371906703.db2.gz HVTVNQKWLOIKAM-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824420 1371906706 /nfs/dbraw/zinc/90/67/06/1371906706.db2.gz HVTVNQKWLOIKAM-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3cccc(Br)c3)C[C@H]21 ZINC001208824420 1371906710 /nfs/dbraw/zinc/90/67/10/1371906710.db2.gz HVTVNQKWLOIKAM-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP FC1(F)CSC2(C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952824 1371961460 /nfs/dbraw/zinc/96/14/60/1371961460.db2.gz MFNOFANSAGZRDT-INIZCTEOSA-N 2 2 338.467 3.335 20 0 EGADLP FC1(F)CSC2(C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208952824 1371961461 /nfs/dbraw/zinc/96/14/61/1371961461.db2.gz MFNOFANSAGZRDT-INIZCTEOSA-N 2 2 338.467 3.335 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121500956 1371994013 /nfs/dbraw/zinc/99/40/13/1371994013.db2.gz LRXJQMZFNNZSAE-PLNGDYQASA-N 2 2 344.503 3.037 20 0 EGADLP c1csc(CC[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001209223027 1372042271 /nfs/dbraw/zinc/04/22/71/1372042271.db2.gz SEOYSIDPECKYRR-UHFFFAOYSA-N 2 2 346.496 3.251 20 0 EGADLP c1csc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001209223027 1372042277 /nfs/dbraw/zinc/04/22/77/1372042277.db2.gz SEOYSIDPECKYRR-UHFFFAOYSA-N 2 2 346.496 3.251 20 0 EGADLP COCC[N@@H+](CCc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001209284470 1372057122 /nfs/dbraw/zinc/05/71/22/1372057122.db2.gz HKEJWBIUFXGGOB-UHFFFAOYSA-N 2 2 344.421 3.291 20 0 EGADLP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378652 1372082895 /nfs/dbraw/zinc/08/28/95/1372082895.db2.gz DVXOYWHEBOGZKL-CWQOZTLDSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378652 1372082898 /nfs/dbraw/zinc/08/28/98/1372082898.db2.gz DVXOYWHEBOGZKL-CWQOZTLDSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378652 1372082901 /nfs/dbraw/zinc/08/29/01/1372082901.db2.gz DVXOYWHEBOGZKL-CWQOZTLDSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C[C@H](C)O1 ZINC001209378652 1372082904 /nfs/dbraw/zinc/08/29/04/1372082904.db2.gz DVXOYWHEBOGZKL-CWQOZTLDSA-N 2 2 349.544 3.243 20 0 EGADLP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209447701 1372108173 /nfs/dbraw/zinc/10/81/73/1372108173.db2.gz CQRAGFPCMAEOIG-LJQANCHMSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209447701 1372108179 /nfs/dbraw/zinc/10/81/79/1372108179.db2.gz CQRAGFPCMAEOIG-LJQANCHMSA-N 2 2 339.524 3.242 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121897322 1372117482 /nfs/dbraw/zinc/11/74/82/1372117482.db2.gz YQZXSDGHHMNOHZ-YUCHZMFVSA-N 2 2 346.519 3.186 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121897322 1372117486 /nfs/dbraw/zinc/11/74/86/1372117486.db2.gz YQZXSDGHHMNOHZ-YUCHZMFVSA-N 2 2 346.519 3.186 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc2[nH]1 ZINC001209509480 1372124211 /nfs/dbraw/zinc/12/42/11/1372124211.db2.gz BUEVQWDYGLDQRF-PMACEKPBSA-N 2 2 332.451 3.127 20 0 EGADLP COCC[N@H+](Cc1cccc2[nH]cc(Cl)c21)C1CC[NH+](C)CC1 ZINC001209655345 1372162491 /nfs/dbraw/zinc/16/24/91/1372162491.db2.gz UZPKEDJSLUJWQM-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COCC[N@@H+](Cc1cccc2[nH]cc(Cl)c21)C1CC[NH+](C)CC1 ZINC001209655345 1372162495 /nfs/dbraw/zinc/16/24/95/1372162495.db2.gz UZPKEDJSLUJWQM-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP CC(C)(C)CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285020 1372221787 /nfs/dbraw/zinc/22/17/87/1372221787.db2.gz KRBHLPHFVJQDOI-UHFFFAOYSA-N 2 2 346.519 3.117 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051928 1372263411 /nfs/dbraw/zinc/26/34/11/1372263411.db2.gz LVQMPWGWKDBQDU-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001210051928 1372263412 /nfs/dbraw/zinc/26/34/12/1372263412.db2.gz LVQMPWGWKDBQDU-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP Cn1c2ccccc2c(C[N@@H+]2CCO[C@@H](C[NH3+])C2)c1-c1ccccc1 ZINC001210399992 1372343237 /nfs/dbraw/zinc/34/32/37/1372343237.db2.gz OQYDHKJKJPLMKU-KRWDZBQOSA-N 2 2 335.451 3.005 20 0 EGADLP Cn1c2ccccc2c(C[N@H+]2CCO[C@@H](C[NH3+])C2)c1-c1ccccc1 ZINC001210399992 1372343242 /nfs/dbraw/zinc/34/32/42/1372343242.db2.gz OQYDHKJKJPLMKU-KRWDZBQOSA-N 2 2 335.451 3.005 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210437382 1372353350 /nfs/dbraw/zinc/35/33/50/1372353350.db2.gz JNDVWCFHNPOIHJ-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)CC[NH2+]1 ZINC001210496793 1372366275 /nfs/dbraw/zinc/36/62/75/1372366275.db2.gz JTLCBBRNSVAWPL-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)CC[NH2+]1 ZINC001210496793 1372366279 /nfs/dbraw/zinc/36/62/79/1372366279.db2.gz JTLCBBRNSVAWPL-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)CC[NH2+]1 ZINC001210518231 1372371025 /nfs/dbraw/zinc/37/10/25/1372371025.db2.gz DFSBYPKSJASOQI-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)CC[NH2+]1 ZINC001210518231 1372371029 /nfs/dbraw/zinc/37/10/29/1372371029.db2.gz DFSBYPKSJASOQI-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001210667204 1372402877 /nfs/dbraw/zinc/40/28/77/1372402877.db2.gz CXMQPSXTPYDQOM-KRWDZBQOSA-N 2 2 346.519 3.238 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC[C@H]3CCC[C@H](C)C3)ccn12 ZINC001127298779 1373113232 /nfs/dbraw/zinc/11/32/32/1373113232.db2.gz FYJPBRCXEISDIV-DOTOQJQBSA-N 2 2 342.487 3.179 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001129902891 1373433434 /nfs/dbraw/zinc/43/34/34/1373433434.db2.gz JFBMLIYFMPAAIA-NIKGAXFTSA-N 2 2 348.450 3.133 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc2ccccc2c1 ZINC001129902891 1373433438 /nfs/dbraw/zinc/43/34/38/1373433438.db2.gz JFBMLIYFMPAAIA-NIKGAXFTSA-N 2 2 348.450 3.133 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001130006904 1373446199 /nfs/dbraw/zinc/44/61/99/1373446199.db2.gz XODRLZLRWUSQTB-YJBOKZPZSA-N 2 2 346.450 3.076 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@H](C)c2cccc(Cl)c2)c[nH+]1 ZINC001130165295 1373467222 /nfs/dbraw/zinc/46/72/22/1373467222.db2.gz XRWVGJHLKFJRNN-CQSZACIVSA-N 2 2 348.878 3.047 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@@H](C)c2cccc(Cl)c2)c[nH+]1 ZINC001130165294 1373467328 /nfs/dbraw/zinc/46/73/28/1373467328.db2.gz XRWVGJHLKFJRNN-AWEZNQCLSA-N 2 2 348.878 3.047 20 0 EGADLP O=C(NCC[NH2+]Cc1ccc(C(F)F)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001130266280 1373481239 /nfs/dbraw/zinc/48/12/39/1373481239.db2.gz RQNLLRMLBMDQAQ-UHFFFAOYSA-N 2 2 344.365 3.020 20 0 EGADLP O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1cc2c[nH+]ccc2[nH]1 ZINC001130268890 1373481906 /nfs/dbraw/zinc/48/19/06/1373481906.db2.gz NYYABHKBNCIILH-UHFFFAOYSA-N 2 2 344.418 3.236 20 0 EGADLP c1ccc2cc(-c3nnc([C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)o3)ccc2c1 ZINC001217704870 1373491408 /nfs/dbraw/zinc/49/14/08/1373491408.db2.gz IZUVYHDSDZMHFD-QGZVFWFLSA-N 2 2 334.423 3.437 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 ZINC001218950003 1373669271 /nfs/dbraw/zinc/66/92/71/1373669271.db2.gz NBKPOTHGGJNSDB-FQEVSTJZSA-N 2 2 345.446 3.488 20 0 EGADLP Clc1cc(CN2CC[C@]3(C2)CCCC[NH2+]3)ccc1-n1cc[nH+]c1 ZINC001222435419 1373843843 /nfs/dbraw/zinc/84/38/43/1373843843.db2.gz OPMUPYYGHLVSNS-SFHVURJKSA-N 2 2 330.863 3.244 20 0 EGADLP Fc1ccc(-c2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222497745 1373849892 /nfs/dbraw/zinc/84/98/92/1373849892.db2.gz YWBBCBUMDYAOKL-SFTDATJTSA-N 2 2 339.458 3.019 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188348483 1388294069 /nfs/dbraw/zinc/29/40/69/1388294069.db2.gz BWLLEZMFDSQKRJ-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188348483 1388294073 /nfs/dbraw/zinc/29/40/73/1388294073.db2.gz BWLLEZMFDSQKRJ-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188349234 1388294345 /nfs/dbraw/zinc/29/43/45/1388294345.db2.gz KFWORYCGYIGFNF-LNFBDUAVSA-N 2 2 338.455 3.066 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188349234 1388294351 /nfs/dbraw/zinc/29/43/51/1388294351.db2.gz KFWORYCGYIGFNF-LNFBDUAVSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132023886 1375103307 /nfs/dbraw/zinc/10/33/07/1375103307.db2.gz BOFDNCKIHNKGCB-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132023886 1375103312 /nfs/dbraw/zinc/10/33/12/1375103312.db2.gz BOFDNCKIHNKGCB-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132026048 1375105297 /nfs/dbraw/zinc/10/52/97/1375105297.db2.gz YTQQFQJOWAVCMM-JKSUJKDBSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132026048 1375105300 /nfs/dbraw/zinc/10/53/00/1375105300.db2.gz YTQQFQJOWAVCMM-JKSUJKDBSA-N 2 2 334.508 3.138 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225646594 1375138611 /nfs/dbraw/zinc/13/86/11/1375138611.db2.gz FKZGTKQCIVJRGO-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091187 1375140994 /nfs/dbraw/zinc/14/09/94/1375140994.db2.gz TZMJALJWODIITM-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132091187 1375140995 /nfs/dbraw/zinc/14/09/95/1375140995.db2.gz TZMJALJWODIITM-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091187 1375140997 /nfs/dbraw/zinc/14/09/97/1375140997.db2.gz TZMJALJWODIITM-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CC1CCCCCC1 ZINC001132091187 1375141000 /nfs/dbraw/zinc/14/10/00/1375141000.db2.gz TZMJALJWODIITM-LPHOPBHVSA-N 2 2 346.519 3.282 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132124825 1375158657 /nfs/dbraw/zinc/15/86/57/1375158657.db2.gz QCXOLXWHNLONGE-MSOLQXFVSA-N 2 2 348.535 3.476 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132124825 1375158660 /nfs/dbraw/zinc/15/86/60/1375158660.db2.gz QCXOLXWHNLONGE-MSOLQXFVSA-N 2 2 348.535 3.476 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546935 1375454618 /nfs/dbraw/zinc/45/46/18/1375454618.db2.gz UTERNRVOTUNFAJ-SJLPKXTDSA-N 2 2 334.508 3.069 20 0 EGADLP CCC(CC)C[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001132546935 1375454621 /nfs/dbraw/zinc/45/46/21/1375454621.db2.gz UTERNRVOTUNFAJ-SJLPKXTDSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001229046854 1375750935 /nfs/dbraw/zinc/75/09/35/1375750935.db2.gz UMTYGMFDUDGRCB-ZTFGCOKTSA-N 2 2 346.519 3.042 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001229046854 1375750938 /nfs/dbraw/zinc/75/09/38/1375750938.db2.gz UMTYGMFDUDGRCB-ZTFGCOKTSA-N 2 2 346.519 3.042 20 0 EGADLP C[NH+]1CCC2(CC[C@@H](COc3ccc(-c4[nH]cc[nH+]4)cc3)O2)CC1 ZINC001231083203 1376199969 /nfs/dbraw/zinc/19/99/69/1376199969.db2.gz FUAVETAJSGSJLM-KRWDZBQOSA-N 2 2 327.428 3.099 20 0 EGADLP CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001232013894 1376381314 /nfs/dbraw/zinc/38/13/14/1376381314.db2.gz HRSQYPOHAHBQFJ-UHFFFAOYSA-N 2 2 344.459 3.394 20 0 EGADLP CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001232013894 1376381325 /nfs/dbraw/zinc/38/13/25/1376381325.db2.gz HRSQYPOHAHBQFJ-UHFFFAOYSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CC1CCC2(CC2)CC1 ZINC001134228109 1376424123 /nfs/dbraw/zinc/42/41/23/1376424123.db2.gz LPKYVXIYGVNXQC-CVEARBPZSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)c1 ZINC001134227479 1376424177 /nfs/dbraw/zinc/42/41/77/1376424177.db2.gz HQDGTGUKVPLWHM-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP Nc1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511811 1376473051 /nfs/dbraw/zinc/47/30/51/1376473051.db2.gz RZBVGMAQLGZHGW-MJGOQNOKSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511811 1376473053 /nfs/dbraw/zinc/47/30/53/1376473053.db2.gz RZBVGMAQLGZHGW-MJGOQNOKSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511811 1376473057 /nfs/dbraw/zinc/47/30/57/1376473057.db2.gz RZBVGMAQLGZHGW-MJGOQNOKSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511811 1376473060 /nfs/dbraw/zinc/47/30/60/1376473060.db2.gz RZBVGMAQLGZHGW-MJGOQNOKSA-N 2 2 339.458 3.362 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3Cl)C[C@H]2C1 ZINC001232596709 1376486954 /nfs/dbraw/zinc/48/69/54/1376486954.db2.gz RTAWWMJERWUIPT-IAGOWNOFSA-N 2 2 344.890 3.299 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCCF)ccn12 ZINC001134369227 1376496245 /nfs/dbraw/zinc/49/62/45/1376496245.db2.gz IWBJQYGHZKIDIC-GJZGRUSLSA-N 2 2 348.466 3.269 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134368911 1376496518 /nfs/dbraw/zinc/49/65/18/1376496518.db2.gz CEFMFTKZAUOPBY-UWUBPMADSA-N 2 2 342.487 3.486 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134368912 1376496895 /nfs/dbraw/zinc/49/68/95/1376496895.db2.gz CEFMFTKZAUOPBY-YCZSJOHXSA-N 2 2 342.487 3.486 20 0 EGADLP Oc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OCC1CC1 ZINC001233227849 1376593150 /nfs/dbraw/zinc/59/31/50/1376593150.db2.gz DIFXAPQMNXVMGS-SFHVURJKSA-N 2 2 340.423 3.229 20 0 EGADLP Oc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OCC1CC1 ZINC001233227849 1376593151 /nfs/dbraw/zinc/59/31/51/1376593151.db2.gz DIFXAPQMNXVMGS-SFHVURJKSA-N 2 2 340.423 3.229 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313469 1376610929 /nfs/dbraw/zinc/61/09/29/1376610929.db2.gz XKBBTLSHNVAGSL-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313469 1376610941 /nfs/dbraw/zinc/61/09/41/1376610941.db2.gz XKBBTLSHNVAGSL-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313469 1376610946 /nfs/dbraw/zinc/61/09/46/1376610946.db2.gz XKBBTLSHNVAGSL-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)sn1 ZINC001233313469 1376610948 /nfs/dbraw/zinc/61/09/48/1376610948.db2.gz XKBBTLSHNVAGSL-ZWKOTPCHSA-N 2 2 327.497 3.405 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001134733380 1376685069 /nfs/dbraw/zinc/68/50/69/1376685069.db2.gz YYWACQQHVRZZKK-CVEARBPZSA-N 2 2 347.503 3.086 20 0 EGADLP Brc1ccc2ccccc2c1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024910 1376830158 /nfs/dbraw/zinc/83/01/58/1376830158.db2.gz SHVNEYDOQSSMBL-UHFFFAOYSA-N 2 2 331.257 3.398 20 0 EGADLP Brc1ccc2ccccc2c1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024910 1376830165 /nfs/dbraw/zinc/83/01/65/1376830165.db2.gz SHVNEYDOQSSMBL-UHFFFAOYSA-N 2 2 331.257 3.398 20 0 EGADLP Brc1cc(C[NH+]2CC3CC(C3)C2)ccc1-n1cc[nH+]c1 ZINC001235039950 1376838215 /nfs/dbraw/zinc/83/82/15/1376838215.db2.gz RSUUSBZIGYZYDP-UHFFFAOYSA-N 2 2 332.245 3.477 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1C(C)C ZINC001235121928 1376852804 /nfs/dbraw/zinc/85/28/04/1376852804.db2.gz WPCQVBJAOPNETH-HXUWFJFHSA-N 2 2 332.488 3.081 20 0 EGADLP COc1cc(C)c(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1C(C)C ZINC001235121928 1376852806 /nfs/dbraw/zinc/85/28/06/1376852806.db2.gz WPCQVBJAOPNETH-HXUWFJFHSA-N 2 2 332.488 3.081 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632739 1376880972 /nfs/dbraw/zinc/88/09/72/1376880972.db2.gz KKRIHCMGLASTCJ-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001235632739 1376880977 /nfs/dbraw/zinc/88/09/77/1376880977.db2.gz KKRIHCMGLASTCJ-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097815 1376895163 /nfs/dbraw/zinc/89/51/63/1376895163.db2.gz QQRJTTMCKOOQHM-SJORKVTESA-N 2 2 340.471 3.325 20 0 EGADLP CCCC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC[NH2+]1 ZINC001236140870 1376936321 /nfs/dbraw/zinc/93/63/21/1376936321.db2.gz IEEMLINFOSJGQX-INIZCTEOSA-N 2 2 332.879 3.490 20 0 EGADLP CCC[N@@H+](Cc1cccc(OC)c1Br)C[C@H]1CC[NH2+]C1 ZINC001236842934 1376966702 /nfs/dbraw/zinc/96/67/02/1376966702.db2.gz HYDGHINRVVWYGA-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP CCC[N@H+](Cc1cccc(OC)c1Br)C[C@H]1CC[NH2+]C1 ZINC001236842934 1376966705 /nfs/dbraw/zinc/96/67/05/1376966705.db2.gz HYDGHINRVVWYGA-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237141640 1376976330 /nfs/dbraw/zinc/97/63/30/1376976330.db2.gz JCWKVFBYRVNZSU-LAUBAEHRSA-N 2 2 330.516 3.227 20 0 EGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237141640 1376976332 /nfs/dbraw/zinc/97/63/32/1376976332.db2.gz JCWKVFBYRVNZSU-LAUBAEHRSA-N 2 2 330.516 3.227 20 0 EGADLP CCCC[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380426 1377051742 /nfs/dbraw/zinc/05/17/42/1377051742.db2.gz HCGJRZVKWWOWKV-RBUKOAKNSA-N 3 2 347.522 3.391 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246937524 1377056056 /nfs/dbraw/zinc/05/60/56/1377056056.db2.gz PLRIXQGGRHUROT-BHIYHBOVSA-N 2 2 348.462 3.112 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)C1 ZINC001246937524 1377056058 /nfs/dbraw/zinc/05/60/58/1377056058.db2.gz PLRIXQGGRHUROT-BHIYHBOVSA-N 2 2 348.462 3.112 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258519601 1377116990 /nfs/dbraw/zinc/11/69/90/1377116990.db2.gz MTIKZXZNLVTHJU-KRWDZBQOSA-N 2 2 338.536 3.408 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798105 1377213166 /nfs/dbraw/zinc/21/31/66/1377213166.db2.gz BBTSFXJQFLJDSQ-HUUCEWRRSA-N 2 2 334.508 3.042 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)o2)C1 ZINC001137071827 1377473152 /nfs/dbraw/zinc/47/31/52/1377473152.db2.gz DZPUZGJTHMTWNG-QGZVFWFLSA-N 2 2 327.428 3.237 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)o2)C1 ZINC001137071827 1377473153 /nfs/dbraw/zinc/47/31/53/1377473153.db2.gz DZPUZGJTHMTWNG-QGZVFWFLSA-N 2 2 327.428 3.237 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127771 1377482933 /nfs/dbraw/zinc/48/29/33/1377482933.db2.gz MOYITSZMIHFNSL-BMGDILEWSA-N 2 2 330.501 3.204 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127771 1377482935 /nfs/dbraw/zinc/48/29/35/1377482935.db2.gz MOYITSZMIHFNSL-BMGDILEWSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127771 1377482936 /nfs/dbraw/zinc/48/29/36/1377482936.db2.gz MOYITSZMIHFNSL-BMGDILEWSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@H]21 ZINC001137127771 1377482938 /nfs/dbraw/zinc/48/29/38/1377482938.db2.gz MOYITSZMIHFNSL-BMGDILEWSA-N 2 2 330.501 3.204 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268075360 1377485018 /nfs/dbraw/zinc/48/50/18/1377485018.db2.gz NUCUIUFZEBCQPI-CVEARBPZSA-N 2 2 336.439 3.146 20 0 EGADLP c1ccc2ncc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001137279313 1377509425 /nfs/dbraw/zinc/50/94/25/1377509425.db2.gz KBOXQYADWVITSS-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2ncc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001137279313 1377509426 /nfs/dbraw/zinc/50/94/26/1377509426.db2.gz KBOXQYADWVITSS-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2ncc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001137279313 1377509428 /nfs/dbraw/zinc/50/94/28/1377509428.db2.gz KBOXQYADWVITSS-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2ncc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001137279313 1377509430 /nfs/dbraw/zinc/50/94/30/1377509430.db2.gz KBOXQYADWVITSS-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3c(F)cccc3Br)C2)CC1 ZINC001137467902 1377552781 /nfs/dbraw/zinc/55/27/81/1377552781.db2.gz VWSUXBZMYBKKIZ-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(Cl)c1F)CC2 ZINC001137961217 1377653629 /nfs/dbraw/zinc/65/36/29/1377653629.db2.gz ZHAJHTGOIGNMDW-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001138577368 1377746677 /nfs/dbraw/zinc/74/66/77/1377746677.db2.gz ZQKMIQGMNDWDJE-HZPDHXFCSA-N 2 2 344.528 3.333 20 0 EGADLP Fc1ccccc1-n1cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001138631113 1377757954 /nfs/dbraw/zinc/75/79/54/1377757954.db2.gz LIDPMHMCQLKJEI-UHFFFAOYSA-N 2 2 336.414 3.334 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)cc[nH+]1 ZINC001138911877 1377802698 /nfs/dbraw/zinc/80/26/98/1377802698.db2.gz NMTXYEHASVHQMW-UHFFFAOYSA-N 2 2 333.382 3.314 20 0 EGADLP F[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1[NH+]1CCCCC1 ZINC001139364526 1377874525 /nfs/dbraw/zinc/87/45/25/1377874525.db2.gz VGPJSIAPXDHTQL-PMACEKPBSA-N 2 2 342.462 3.271 20 0 EGADLP Clc1ccnc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001139562300 1377908395 /nfs/dbraw/zinc/90/83/95/1377908395.db2.gz QZQIDRPFWINWOP-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccnc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001139562300 1377908405 /nfs/dbraw/zinc/90/84/05/1377908405.db2.gz QZQIDRPFWINWOP-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccnc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001139562300 1377908406 /nfs/dbraw/zinc/90/84/06/1377908406.db2.gz QZQIDRPFWINWOP-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccnc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001139562300 1377908413 /nfs/dbraw/zinc/90/84/13/1377908413.db2.gz QZQIDRPFWINWOP-SJORKVTESA-N 2 2 342.874 3.084 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@H]1C ZINC001139767586 1377948100 /nfs/dbraw/zinc/94/81/00/1377948100.db2.gz WWFJINLGGBMBNN-ROUUACIJSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@H]1C ZINC001139767586 1377948101 /nfs/dbraw/zinc/94/81/01/1377948101.db2.gz WWFJINLGGBMBNN-ROUUACIJSA-N 2 2 332.488 3.018 20 0 EGADLP Cn1ncc2ccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc21 ZINC001139906250 1377975487 /nfs/dbraw/zinc/97/54/87/1377975487.db2.gz IIAPNOLCAMGFQS-UHFFFAOYSA-N 2 2 338.499 3.414 20 0 EGADLP Cn1ncc2ccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)cc21 ZINC001139906250 1377975492 /nfs/dbraw/zinc/97/54/92/1377975492.db2.gz IIAPNOLCAMGFQS-UHFFFAOYSA-N 2 2 338.499 3.414 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2ncccc2C)CC1 ZINC001140023844 1377991790 /nfs/dbraw/zinc/99/17/90/1377991790.db2.gz ZZHNWQGVANTRNX-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3cc(C)c(O)cc3C)CC2)CC1 ZINC001140204071 1378031860 /nfs/dbraw/zinc/03/18/60/1378031860.db2.gz QCEQXYUXONYFRP-UHFFFAOYSA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140643703 1378104031 /nfs/dbraw/zinc/10/40/31/1378104031.db2.gz IVWFHFBGQLPPGQ-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc3ccncc32)CC1 ZINC001140643703 1378104033 /nfs/dbraw/zinc/10/40/33/1378104033.db2.gz IVWFHFBGQLPPGQ-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(N)[nH+]1)C2 ZINC001276493236 1378176239 /nfs/dbraw/zinc/17/62/39/1378176239.db2.gz QRFKCIWNKOPOLJ-LMMKCTJWSA-N 2 2 330.520 3.386 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(N)[nH+]1)C2 ZINC001276493236 1378176243 /nfs/dbraw/zinc/17/62/43/1378176243.db2.gz QRFKCIWNKOPOLJ-LMMKCTJWSA-N 2 2 330.520 3.386 20 0 EGADLP c1cn(-c2ccc(CN3CC[C@H]4C[N@@H+](C5CCCC5)C[C@H]43)cc2)c[nH+]1 ZINC001276872002 1378190811 /nfs/dbraw/zinc/19/08/11/1378190811.db2.gz CTKZJIVACAQVGI-GHTZIAJQSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccc(CN3CC[C@H]4C[N@H+](C5CCCC5)C[C@H]43)cc2)c[nH+]1 ZINC001276872002 1378190812 /nfs/dbraw/zinc/19/08/12/1378190812.db2.gz CTKZJIVACAQVGI-GHTZIAJQSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn2ccc(CN3CCC([N@@H+]4CCc5ccccc5C4)CC3)cc2[nH+]1 ZINC001141046541 1378218307 /nfs/dbraw/zinc/21/83/07/1378218307.db2.gz FIRKDLALILGUQN-UHFFFAOYSA-N 2 2 346.478 3.357 20 0 EGADLP c1cn2ccc(CN3CCC([N@H+]4CCc5ccccc5C4)CC3)cc2[nH+]1 ZINC001141046541 1378218310 /nfs/dbraw/zinc/21/83/10/1378218310.db2.gz FIRKDLALILGUQN-UHFFFAOYSA-N 2 2 346.478 3.357 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001277382122 1378220471 /nfs/dbraw/zinc/22/04/71/1378220471.db2.gz GYFNAFPIECICJX-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001277382122 1378220477 /nfs/dbraw/zinc/22/04/77/1378220477.db2.gz GYFNAFPIECICJX-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001277382122 1378220480 /nfs/dbraw/zinc/22/04/80/1378220480.db2.gz GYFNAFPIECICJX-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001277382122 1378220484 /nfs/dbraw/zinc/22/04/84/1378220484.db2.gz GYFNAFPIECICJX-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(O)c1OC ZINC001141171763 1378258864 /nfs/dbraw/zinc/25/88/64/1378258864.db2.gz GTRGWGBVEMOQBJ-QGZVFWFLSA-N 2 2 348.487 3.250 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(O)c1OC ZINC001141171763 1378258866 /nfs/dbraw/zinc/25/88/66/1378258866.db2.gz GTRGWGBVEMOQBJ-QGZVFWFLSA-N 2 2 348.487 3.250 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611877 1378350752 /nfs/dbraw/zinc/35/07/52/1378350752.db2.gz KYJLASPJPFEJAI-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611877 1378350754 /nfs/dbraw/zinc/35/07/54/1378350754.db2.gz KYJLASPJPFEJAI-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611877 1378350756 /nfs/dbraw/zinc/35/07/56/1378350756.db2.gz KYJLASPJPFEJAI-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3OC)C[C@@H]2C1 ZINC001141611877 1378350757 /nfs/dbraw/zinc/35/07/57/1378350757.db2.gz KYJLASPJPFEJAI-OKILXGFUSA-N 2 2 328.378 3.098 20 0 EGADLP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143035836 1378531690 /nfs/dbraw/zinc/53/16/90/1378531690.db2.gz STSOLVDZDWRKJR-KRWDZBQOSA-N 2 2 341.455 3.280 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143692110 1378635610 /nfs/dbraw/zinc/63/56/10/1378635610.db2.gz UXYPGYRGGDCQBK-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143692110 1378635612 /nfs/dbraw/zinc/63/56/12/1378635612.db2.gz UXYPGYRGGDCQBK-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP Cc1c(O)cccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001144111032 1378683097 /nfs/dbraw/zinc/68/30/97/1378683097.db2.gz QZZUFWIJXCAOCU-IRXDYDNUSA-N 2 2 328.481 3.326 20 0 EGADLP COc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001144494800 1378737090 /nfs/dbraw/zinc/73/70/90/1378737090.db2.gz DZUHYPKNRNFIGZ-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458988 1378843206 /nfs/dbraw/zinc/84/32/06/1378843206.db2.gz VGFYRCRLGDAPMA-KRWDZBQOSA-N 2 2 348.450 3.261 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC001146458543 1378843531 /nfs/dbraw/zinc/84/35/31/1378843531.db2.gz LIUXRBMMEJJRJY-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001146707235 1378904131 /nfs/dbraw/zinc/90/41/31/1378904131.db2.gz PJCMYWFXNOVBOY-ROUUACIJSA-N 2 2 342.487 3.045 20 0 EGADLP C[C@H](CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001148358127 1379156688 /nfs/dbraw/zinc/15/66/88/1379156688.db2.gz UYAYKVSRBVQNGT-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001148358127 1379156690 /nfs/dbraw/zinc/15/66/90/1379156690.db2.gz UYAYKVSRBVQNGT-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@H+](CCCCCOC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403181 1380270785 /nfs/dbraw/zinc/27/07/85/1380270785.db2.gz FHQPSRYRNXKVMR-QGZVFWFLSA-N 2 2 349.519 3.264 20 0 EGADLP CC[N@@H+](CCCCCOC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403181 1380270786 /nfs/dbraw/zinc/27/07/86/1380270786.db2.gz FHQPSRYRNXKVMR-QGZVFWFLSA-N 2 2 349.519 3.264 20 0 EGADLP COc1cc2ccc(NC[C@@H]3CCC[NH2+]C[C@H]3C)[nH+]c2cc1OC ZINC001155032189 1380395171 /nfs/dbraw/zinc/39/51/71/1380395171.db2.gz OJVPMVUSMONKNQ-HIFRSBDPSA-N 2 2 329.444 3.300 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001155030705 1380395279 /nfs/dbraw/zinc/39/52/79/1380395279.db2.gz QSIRXHYPXJXKBH-NWDGAFQWSA-N 2 2 327.407 3.298 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321425 1380436709 /nfs/dbraw/zinc/43/67/09/1380436709.db2.gz MVYDCNFQSBDHJX-NREHPGHKSA-N 2 2 346.519 3.097 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321425 1380436711 /nfs/dbraw/zinc/43/67/11/1380436711.db2.gz MVYDCNFQSBDHJX-NREHPGHKSA-N 2 2 346.519 3.097 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522308 1380464325 /nfs/dbraw/zinc/46/43/25/1380464325.db2.gz UPHUZMHETMHDQD-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522308 1380464327 /nfs/dbraw/zinc/46/43/27/1380464327.db2.gz UPHUZMHETMHDQD-IAGOWNOFSA-N 2 2 334.508 3.241 20 0 EGADLP COc1cc2[nH+]c(NCC[C@H]3CCC[N@H+](C)C3)ccc2c(OC)c1 ZINC001156386585 1380569288 /nfs/dbraw/zinc/56/92/88/1380569288.db2.gz YOMSZNNNKMRYFH-CQSZACIVSA-N 2 2 329.444 3.396 20 0 EGADLP COc1cc2[nH+]c(NCC[C@H]3CCC[N@@H+](C)C3)ccc2c(OC)c1 ZINC001156386585 1380569290 /nfs/dbraw/zinc/56/92/90/1380569290.db2.gz YOMSZNNNKMRYFH-CQSZACIVSA-N 2 2 329.444 3.396 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2c(C3CC3)cnn2C)[nH+]1 ZINC001328185918 1388686365 /nfs/dbraw/zinc/68/63/65/1388686365.db2.gz QPLLVERFUAJKKQ-INIZCTEOSA-N 2 2 325.460 3.077 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2c(C3CC3)cnn2C)[nH+]1 ZINC001328185918 1388686370 /nfs/dbraw/zinc/68/63/70/1388686370.db2.gz QPLLVERFUAJKKQ-INIZCTEOSA-N 2 2 325.460 3.077 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879990 1381057101 /nfs/dbraw/zinc/05/71/01/1381057101.db2.gz GDFZRIKCPZYHFE-ZWKOTPCHSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879990 1381057105 /nfs/dbraw/zinc/05/71/05/1381057105.db2.gz GDFZRIKCPZYHFE-ZWKOTPCHSA-N 2 2 348.535 3.337 20 0 EGADLP CCC/C=C/CC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158062000 1381116899 /nfs/dbraw/zinc/11/68/99/1381116899.db2.gz NIZDJBFLXNYTIR-AATRIKPKSA-N 2 2 328.460 3.099 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+][C@H](C)c3ccccc3)ccn12 ZINC001158062242 1381118048 /nfs/dbraw/zinc/11/80/48/1381118048.db2.gz QXYWRWYUMWFICJ-MRXNPFEDSA-N 2 2 336.439 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217405 1381162049 /nfs/dbraw/zinc/16/20/49/1381162049.db2.gz NGZDUSUAXQFFME-IAGOWNOFSA-N 2 2 342.487 3.307 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001158217405 1381162053 /nfs/dbraw/zinc/16/20/53/1381162053.db2.gz NGZDUSUAXQFFME-IAGOWNOFSA-N 2 2 342.487 3.307 20 0 EGADLP Cc1cccc2c(C)cc(N3CCO[C@H](C[NH+]4CCCC4)C3)[nH+]c12 ZINC001158303890 1381192521 /nfs/dbraw/zinc/19/25/21/1381192521.db2.gz GQTAKQNPBLDCMD-QGZVFWFLSA-N 2 2 325.456 3.153 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654445 1381338788 /nfs/dbraw/zinc/33/87/88/1381338788.db2.gz YAMJBGJZXRAPGD-KEGWNNHHSA-N 2 2 332.492 3.012 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654445 1381338796 /nfs/dbraw/zinc/33/87/96/1381338796.db2.gz YAMJBGJZXRAPGD-KEGWNNHHSA-N 2 2 332.492 3.012 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654443 1381338976 /nfs/dbraw/zinc/33/89/76/1381338976.db2.gz YAMJBGJZXRAPGD-FUTAKVPZSA-N 2 2 332.492 3.012 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654443 1381338979 /nfs/dbraw/zinc/33/89/79/1381338979.db2.gz YAMJBGJZXRAPGD-FUTAKVPZSA-N 2 2 332.492 3.012 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401112 1388737392 /nfs/dbraw/zinc/73/73/92/1388737392.db2.gz RSYPDRUNZZLNGS-UWVGGRQHSA-N 2 2 336.329 3.059 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401112 1388737396 /nfs/dbraw/zinc/73/73/96/1388737396.db2.gz RSYPDRUNZZLNGS-UWVGGRQHSA-N 2 2 336.329 3.059 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401114 1388737561 /nfs/dbraw/zinc/73/75/61/1388737561.db2.gz RSYPDRUNZZLNGS-VHSXEESVSA-N 2 2 336.329 3.059 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401114 1388737564 /nfs/dbraw/zinc/73/75/64/1388737564.db2.gz RSYPDRUNZZLNGS-VHSXEESVSA-N 2 2 336.329 3.059 20 0 EGADLP CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159416898 1381790672 /nfs/dbraw/zinc/79/06/72/1381790672.db2.gz MAZQNRGFOHZDOT-UHFFFAOYSA-N 2 2 349.438 3.228 20 0 EGADLP CNc1ccc(Nc2ccc(OCC3CC[NH2+]CC3)c(F)c2)c[nH+]1 ZINC001159880732 1381927215 /nfs/dbraw/zinc/92/72/15/1381927215.db2.gz GDFLVTAFWUCZSF-UHFFFAOYSA-N 2 2 330.407 3.384 20 0 EGADLP CCN(CC)c1cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)nc[nH+]1 ZINC001160013888 1381968538 /nfs/dbraw/zinc/96/85/38/1381968538.db2.gz XEUCMUGBSPJCFA-HNNXBMFYSA-N 2 2 337.471 3.465 20 0 EGADLP Fc1ccc(N2CC[NH2+]CC2)c(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001160045217 1381978901 /nfs/dbraw/zinc/97/89/01/1381978901.db2.gz FKILGTFHQSLYSY-UHFFFAOYSA-N 2 2 337.402 3.369 20 0 EGADLP Nc1c(F)cccc1N(CC1CC[NH2+]CC1)c1ccn2cc[nH+]c2c1 ZINC001160082351 1381991742 /nfs/dbraw/zinc/99/17/42/1381991742.db2.gz SZCLQEOWYFSQNL-UHFFFAOYSA-N 2 2 339.418 3.193 20 0 EGADLP FC1(F)C[NH2+]CC[C@H]1Oc1ccc(Nc2ccc3[nH+]ccn3c2)cc1 ZINC001160341241 1382077188 /nfs/dbraw/zinc/07/71/88/1382077188.db2.gz NCYPQWPRHGSMOT-MRXNPFEDSA-N 2 2 344.365 3.454 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001160528380 1382131885 /nfs/dbraw/zinc/13/18/85/1382131885.db2.gz NQHVOBOERGMCAW-ACBHZAAOSA-N 2 2 348.535 3.393 20 0 EGADLP COc1cc[nH+]c(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])c1 ZINC001160632437 1382156402 /nfs/dbraw/zinc/15/64/02/1382156402.db2.gz GFUFHLRTSARRFL-UJKMTWAASA-N 2 2 343.430 3.489 20 0 EGADLP Cc1cccn2c([C@H](C)Nc3cccc(N4CCOCC4)[nH+]3)c[nH+]c12 ZINC001160686952 1382170825 /nfs/dbraw/zinc/17/08/25/1382170825.db2.gz UVCFJWYYEHLEFV-HNNXBMFYSA-N 2 2 337.427 3.047 20 0 EGADLP O=C(NCCC[NH2+]Cc1cc2ccccc2o1)c1cc2c[nH+]ccc2[nH]1 ZINC001160984249 1382261995 /nfs/dbraw/zinc/26/19/95/1382261995.db2.gz IURFVIKZUNFOTR-UHFFFAOYSA-N 2 2 348.406 3.219 20 0 EGADLP O=C(NCCC[NH2+]CC1CCCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160992170 1382266142 /nfs/dbraw/zinc/26/61/42/1382266142.db2.gz RTNCPUFIEFPUGJ-UHFFFAOYSA-N 2 2 328.460 3.243 20 0 EGADLP CC(C)c1ccc(NCC(=O)N2CC[NH+](C3CCCCC3)CC2)[nH+]c1 ZINC001161059803 1382285906 /nfs/dbraw/zinc/28/59/06/1382285906.db2.gz ZTWZJKTXTOZWLC-UHFFFAOYSA-N 2 2 344.503 3.094 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434581 1382409464 /nfs/dbraw/zinc/40/94/64/1382409464.db2.gz ULNFGHDIGPUPIA-BDUNBXCCSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434581 1382409466 /nfs/dbraw/zinc/40/94/66/1382409466.db2.gz ULNFGHDIGPUPIA-BDUNBXCCSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434581 1382409473 /nfs/dbraw/zinc/40/94/73/1382409473.db2.gz ULNFGHDIGPUPIA-BDUNBXCCSA-N 2 2 344.503 3.083 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434581 1382409479 /nfs/dbraw/zinc/40/94/79/1382409479.db2.gz ULNFGHDIGPUPIA-BDUNBXCCSA-N 2 2 344.503 3.083 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001162457145 1382761970 /nfs/dbraw/zinc/76/19/70/1382761970.db2.gz MYRUGSDKLXKUTR-GHMZBOCLSA-N 2 2 337.265 3.373 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001162457145 1382761972 /nfs/dbraw/zinc/76/19/72/1382761972.db2.gz MYRUGSDKLXKUTR-GHMZBOCLSA-N 2 2 337.265 3.373 20 0 EGADLP CCN(CC)c1cc(-n2cc(CC[NH3+])c3c2cccc3Cl)nc[nH+]1 ZINC001162659231 1382823954 /nfs/dbraw/zinc/82/39/54/1382823954.db2.gz VWENEGKGLGTFRF-UHFFFAOYSA-N 2 2 343.862 3.421 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001162910659 1382913523 /nfs/dbraw/zinc/91/35/23/1382913523.db2.gz UAADFYOSQHQYTE-UHFFFAOYSA-N 2 2 325.456 3.225 20 0 EGADLP COc1cc2cc[nH+]c(Nc3ccc([C@@H](C[NH3+])CO)cc3)c2cc1F ZINC001163058830 1382958075 /nfs/dbraw/zinc/95/80/75/1382958075.db2.gz STYVOBZBOBVNEV-AWEZNQCLSA-N 2 2 341.386 3.161 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC001328716262 1388822054 /nfs/dbraw/zinc/82/20/54/1388822054.db2.gz HEEPIWMDLZVIDZ-BVBHFADKSA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC001328716262 1388822059 /nfs/dbraw/zinc/82/20/59/1388822059.db2.gz HEEPIWMDLZVIDZ-BVBHFADKSA-N 2 2 331.508 3.004 20 0 EGADLP CCC/C=C\CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473826 1383059159 /nfs/dbraw/zinc/05/91/59/1383059159.db2.gz XALXTIOGUUTEKN-PLNGDYQASA-N 2 2 340.471 3.328 20 0 EGADLP CCCCCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163479913 1383061114 /nfs/dbraw/zinc/06/11/14/1383061114.db2.gz VOMOGUPPYKYJGD-UHFFFAOYSA-N 2 2 328.460 3.162 20 0 EGADLP C[N@@H+]1CCC[C@@H](CC[NH2+]c2ccc3c(c2)C2(CN3)CCOCC2)C1 ZINC001165279562 1383264637 /nfs/dbraw/zinc/26/46/37/1383264637.db2.gz WCOZOHUKNRRHDQ-INIZCTEOSA-N 2 2 329.488 3.304 20 0 EGADLP C[N@H+]1CCC[C@@H](CC[NH2+]c2ccc3c(c2)C2(CN3)CCOCC2)C1 ZINC001165279562 1383264638 /nfs/dbraw/zinc/26/46/38/1383264638.db2.gz WCOZOHUKNRRHDQ-INIZCTEOSA-N 2 2 329.488 3.304 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)nc3c(Cl)cccc31)CC[NH2+]CC2 ZINC001165353632 1383280324 /nfs/dbraw/zinc/28/03/24/1383280324.db2.gz SNOUOONIEXBXMS-UHFFFAOYSA-N 2 2 348.237 3.119 20 0 EGADLP Cc1csc2c1nc(Cl)cc2-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165354700 1383281231 /nfs/dbraw/zinc/28/12/31/1383281231.db2.gz HARKJYMZJPKUTL-UHFFFAOYSA-N 2 2 332.860 3.440 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001328752255 1388844440 /nfs/dbraw/zinc/84/44/40/1388844440.db2.gz HAEAKJAWOATRMY-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001328752255 1388844443 /nfs/dbraw/zinc/84/44/43/1388844443.db2.gz HAEAKJAWOATRMY-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP Cc1cc2ccccc2c(N2CCc3onc(Cn4cc[nH+]c4)c3C2)[nH+]1 ZINC001165548245 1383309493 /nfs/dbraw/zinc/30/94/93/1383309493.db2.gz TXXCYSITLAPXEQ-UHFFFAOYSA-N 2 2 345.406 3.339 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593601 1383314094 /nfs/dbraw/zinc/31/40/94/1383314094.db2.gz LVBPTMDOBCHZRO-OSNZYPHYSA-N 2 2 344.503 3.136 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593601 1383314099 /nfs/dbraw/zinc/31/40/99/1383314099.db2.gz LVBPTMDOBCHZRO-OSNZYPHYSA-N 2 2 344.503 3.136 20 0 EGADLP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1cc3ccccc3c[nH+]1)C2 ZINC001165909005 1383363285 /nfs/dbraw/zinc/36/32/85/1383363285.db2.gz UIMLESFKQBTTOQ-UHFFFAOYSA-N 2 2 347.466 3.484 20 0 EGADLP CC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348566 1383606397 /nfs/dbraw/zinc/60/63/97/1383606397.db2.gz MHLRFVTUVFJKPU-VGOKWCNXSA-N 2 2 332.492 3.067 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001167435521 1383633593 /nfs/dbraw/zinc/63/35/93/1383633593.db2.gz CUCMLIYYSGUPIQ-CABCVRRESA-N 2 2 348.878 3.345 20 0 EGADLP C[C@@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575758 1383675297 /nfs/dbraw/zinc/67/52/97/1383675297.db2.gz HRIBUAKISZNCFW-QIJUGHKUSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575758 1383675299 /nfs/dbraw/zinc/67/52/99/1383675299.db2.gz HRIBUAKISZNCFW-QIJUGHKUSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575758 1383675302 /nfs/dbraw/zinc/67/53/02/1383675302.db2.gz HRIBUAKISZNCFW-QIJUGHKUSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575758 1383675304 /nfs/dbraw/zinc/67/53/04/1383675304.db2.gz HRIBUAKISZNCFW-QIJUGHKUSA-N 2 2 336.479 3.316 20 0 EGADLP FC1(F)COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167988043 1383789233 /nfs/dbraw/zinc/78/92/33/1383789233.db2.gz OPOJANPSHAYSLQ-SJPCQFCGSA-N 2 2 340.458 3.282 20 0 EGADLP FC1(F)COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167988043 1383789237 /nfs/dbraw/zinc/78/92/37/1383789237.db2.gz OPOJANPSHAYSLQ-SJPCQFCGSA-N 2 2 340.458 3.282 20 0 EGADLP C[C@@H]1CC([NH2+]C2(c3cnn(C)c3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012755 1383796892 /nfs/dbraw/zinc/79/68/92/1383796892.db2.gz DSDQPHFBFFSQIL-IAGOWNOFSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137224 1383824933 /nfs/dbraw/zinc/82/49/33/1383824933.db2.gz NNMWQUHVFWREJB-MTNDGHDBSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137224 1383824936 /nfs/dbraw/zinc/82/49/36/1383824936.db2.gz NNMWQUHVFWREJB-MTNDGHDBSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137224 1383824943 /nfs/dbraw/zinc/82/49/43/1383824943.db2.gz NNMWQUHVFWREJB-MTNDGHDBSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137224 1383824947 /nfs/dbraw/zinc/82/49/47/1383824947.db2.gz NNMWQUHVFWREJB-MTNDGHDBSA-N 2 2 330.516 3.449 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC001168360797 1383882702 /nfs/dbraw/zinc/88/27/02/1383882702.db2.gz VMDNTOJFIPUCTJ-KRWDZBQOSA-N 2 2 343.298 3.491 20 0 EGADLP CCOC(=O)C1=C(Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CCCC1 ZINC001168565059 1383938066 /nfs/dbraw/zinc/93/80/66/1383938066.db2.gz VCHUCFAVWXKKAH-MRXNPFEDSA-N 2 2 343.471 3.023 20 0 EGADLP CCOC(=O)C1=C(Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)CCCC1 ZINC001168565059 1383938071 /nfs/dbraw/zinc/93/80/71/1383938071.db2.gz VCHUCFAVWXKKAH-MRXNPFEDSA-N 2 2 343.471 3.023 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+]CC[NH+]3CCC(C)CC3)CCO2)cc1 ZINC001168573888 1383939835 /nfs/dbraw/zinc/93/98/35/1383939835.db2.gz ACUSCOJBJUNUSZ-ICSRJNTNSA-N 2 2 332.488 3.237 20 0 EGADLP Clc1cccc2c1C[C@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168744490 1383988018 /nfs/dbraw/zinc/98/80/18/1383988018.db2.gz QKWXPFWKBWVJTF-MRXNPFEDSA-N 2 2 327.859 3.461 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001169082143 1384104151 /nfs/dbraw/zinc/10/41/51/1384104151.db2.gz YAZNYHOJOOFYJD-CLLJXQQHSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001169082143 1384104153 /nfs/dbraw/zinc/10/41/53/1384104153.db2.gz YAZNYHOJOOFYJD-CLLJXQQHSA-N 2 2 327.241 3.303 20 0 EGADLP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001169086221 1384104700 /nfs/dbraw/zinc/10/47/00/1384104700.db2.gz RRQOGHMLCJCDQE-RTWAWAEBSA-N 2 2 330.516 3.440 20 0 EGADLP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001169086221 1384104704 /nfs/dbraw/zinc/10/47/04/1384104704.db2.gz RRQOGHMLCJCDQE-RTWAWAEBSA-N 2 2 330.516 3.440 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc4c3CCC4)[nH+]c2)C1 ZINC001308337992 1384120260 /nfs/dbraw/zinc/12/02/60/1384120260.db2.gz QXBALQKEGRXBDQ-IBGZPJMESA-N 2 2 336.483 3.323 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC001308625022 1384137219 /nfs/dbraw/zinc/13/72/19/1384137219.db2.gz WVHURPITVKPGIG-FNORWQNLSA-N 2 2 330.516 3.404 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC001308625022 1384137221 /nfs/dbraw/zinc/13/72/21/1384137221.db2.gz WVHURPITVKPGIG-FNORWQNLSA-N 2 2 330.516 3.404 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169734064 1384180460 /nfs/dbraw/zinc/18/04/60/1384180460.db2.gz XYYBJVMJHUULLF-QUCCMNQESA-N 2 2 343.515 3.001 20 0 EGADLP C(C1CC1)[N@@H+]1CCCC12CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945895 1384202240 /nfs/dbraw/zinc/20/22/40/1384202240.db2.gz QMMRSCNYURNEBJ-SFHVURJKSA-N 2 2 334.504 3.013 20 0 EGADLP C(C1CC1)[N@H+]1CCCC12CC[NH+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169945895 1384202245 /nfs/dbraw/zinc/20/22/45/1384202245.db2.gz QMMRSCNYURNEBJ-SFHVURJKSA-N 2 2 334.504 3.013 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001170164646 1384252975 /nfs/dbraw/zinc/25/29/75/1384252975.db2.gz MGERFMUCADZXTI-SFTDATJTSA-N 2 2 330.516 3.488 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001170449271 1384321822 /nfs/dbraw/zinc/32/18/22/1384321822.db2.gz LORFQDDWWRAHAZ-HZPDHXFCSA-N 2 2 327.428 3.273 20 0 EGADLP CC[C@@H]1CC([NH2+]CC2C[NH+](C)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170469178 1384326264 /nfs/dbraw/zinc/32/62/64/1384326264.db2.gz JUEGLYXPASMIGW-IAGOWNOFSA-N 2 2 339.524 3.094 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3C)CC2)C1 ZINC001170524711 1384335333 /nfs/dbraw/zinc/33/53/33/1384335333.db2.gz NUBMLWYHZHSRTM-BEFAXECRSA-N 2 2 348.462 3.030 20 0 EGADLP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc[nH+]c(N4CCCC4)n3)c2c1 ZINC001171167383 1384458908 /nfs/dbraw/zinc/45/89/08/1384458908.db2.gz YLZZDGPMNMTFJD-OAHLLOKOSA-N 2 2 335.455 3.219 20 0 EGADLP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171410950 1384515843 /nfs/dbraw/zinc/51/58/43/1384515843.db2.gz ZCVQDBWRFDNQQW-QZTJIDSGSA-N 2 2 336.524 3.391 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525489 1384550925 /nfs/dbraw/zinc/55/09/25/1384550925.db2.gz DUKUCMLLNVNGEY-HNNXBMFYSA-N 2 2 330.476 3.487 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171596075 1384574455 /nfs/dbraw/zinc/57/44/55/1384574455.db2.gz KCIKBOPOEFCSMC-ROUUACIJSA-N 2 2 348.535 3.146 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171597499 1384574798 /nfs/dbraw/zinc/57/47/98/1384574798.db2.gz ZNSSPFNQZFPSBV-WMZOPIPTSA-N 2 2 348.535 3.146 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604513 1384577160 /nfs/dbraw/zinc/57/71/60/1384577160.db2.gz IFTPLHSWDZPHNA-WBVHZDCISA-N 2 2 346.519 3.054 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604513 1384577162 /nfs/dbraw/zinc/57/71/62/1384577162.db2.gz IFTPLHSWDZPHNA-WBVHZDCISA-N 2 2 346.519 3.054 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CC1(C)C ZINC001171625308 1384583714 /nfs/dbraw/zinc/58/37/14/1384583714.db2.gz GRHRTEBRAVVOTL-MRXNPFEDSA-N 2 2 349.906 3.444 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171895551 1384673321 /nfs/dbraw/zinc/67/33/21/1384673321.db2.gz ATBCRURWIYGPEV-INIZCTEOSA-N 2 2 336.524 3.054 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001171896507 1384673951 /nfs/dbraw/zinc/67/39/51/1384673951.db2.gz PPZMAUHGXUBRKV-INIZCTEOSA-N 2 2 336.524 3.054 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CCC3(CC2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC001171981542 1384701836 /nfs/dbraw/zinc/70/18/36/1384701836.db2.gz MQYWJMGDIPUDPH-IBGZPJMESA-N 2 2 344.499 3.269 20 0 EGADLP CC1(C)C[C@@H]([NH+]2CCC3(CC2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC001171981542 1384701839 /nfs/dbraw/zinc/70/18/39/1384701839.db2.gz MQYWJMGDIPUDPH-IBGZPJMESA-N 2 2 344.499 3.269 20 0 EGADLP CC[C@H](CC(C)C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001172383215 1384782183 /nfs/dbraw/zinc/78/21/83/1384782183.db2.gz LFLHSQBJJHSTBR-LJQANCHMSA-N 2 2 334.504 3.312 20 0 EGADLP CCCCCC[C@H](CCC)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001172388413 1384782833 /nfs/dbraw/zinc/78/28/33/1384782833.db2.gz YBDGRYBGGNOFTH-FQEVSTJZSA-N 2 2 339.568 3.075 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)CCOC(C)C)CC2)c1 ZINC001172436343 1384791861 /nfs/dbraw/zinc/79/18/61/1384791861.db2.gz ABKLGQMUAADGBM-KRWDZBQOSA-N 2 2 334.504 3.453 20 0 EGADLP CC(C)OCC[C@@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001172448199 1384793834 /nfs/dbraw/zinc/79/38/34/1384793834.db2.gz MAXFYIDYGKLGQQ-CQSZACIVSA-N 2 2 345.578 3.231 20 0 EGADLP CCCC[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001172630263 1384822580 /nfs/dbraw/zinc/82/25/80/1384822580.db2.gz BKAZLIBTUHXHAN-BRWVUGGUSA-N 2 2 341.540 3.484 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)c1 ZINC001172926811 1384880457 /nfs/dbraw/zinc/88/04/57/1384880457.db2.gz SWRSBZZBPIBDNN-UYAOXDASSA-N 2 2 332.488 3.207 20 0 EGADLP CCCOC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001173098075 1384914281 /nfs/dbraw/zinc/91/42/81/1384914281.db2.gz VTYWIYYYEATPJL-IKJYFWGWSA-N 2 2 343.515 3.183 20 0 EGADLP COc1cccc2c1C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1ccccc1)CO2 ZINC001173148576 1384924679 /nfs/dbraw/zinc/92/46/79/1384924679.db2.gz JVEUGASSYVFYOP-IEBWSBKVSA-N 2 2 340.467 3.281 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001173630120 1384992272 /nfs/dbraw/zinc/99/22/72/1384992272.db2.gz FTLCKOZAZRHTSD-AABGKKOBSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001173630120 1384992275 /nfs/dbraw/zinc/99/22/75/1384992275.db2.gz FTLCKOZAZRHTSD-AABGKKOBSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173664774 1385000046 /nfs/dbraw/zinc/00/00/46/1385000046.db2.gz OCOLNHTYEZFANT-WMZOPIPTSA-N 2 2 345.487 3.070 20 0 EGADLP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001173712640 1385007132 /nfs/dbraw/zinc/00/71/32/1385007132.db2.gz SBHCKDSDWRMBBX-SJORKVTESA-N 2 2 332.488 3.114 20 0 EGADLP C[NH+](C)Cc1ccccc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001173929379 1385032462 /nfs/dbraw/zinc/03/24/62/1385032462.db2.gz FECCWCKHVSFSHJ-UHFFFAOYSA-N 2 2 325.456 3.324 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317397392 1385113762 /nfs/dbraw/zinc/11/37/62/1385113762.db2.gz LNBOTXOBJBJEHF-GJZGRUSLSA-N 2 2 330.476 3.343 20 0 EGADLP CCOc1cc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc(C)[nH+]1 ZINC001174814479 1385153778 /nfs/dbraw/zinc/15/37/78/1385153778.db2.gz DOKAWFXMEDJJCZ-UHFFFAOYSA-N 2 2 326.444 3.284 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175207662 1385219806 /nfs/dbraw/zinc/21/98/06/1385219806.db2.gz AFYJGJIPLZPUSM-PPPANMTLSA-N 2 2 346.519 3.451 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501169 1385312696 /nfs/dbraw/zinc/31/26/96/1385312696.db2.gz BSQIVSFXNRBYCT-SLXDBMQSSA-N 2 2 334.508 3.455 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001175644654 1385362318 /nfs/dbraw/zinc/36/23/18/1385362318.db2.gz OUOSCQAJTIUOCC-SJORKVTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCC1 ZINC001175644654 1385362325 /nfs/dbraw/zinc/36/23/25/1385362325.db2.gz OUOSCQAJTIUOCC-SJORKVTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880592 1385428182 /nfs/dbraw/zinc/42/81/82/1385428182.db2.gz AQJUYEXGWLDFSF-GJZGRUSLSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881612 1385429123 /nfs/dbraw/zinc/42/91/23/1385429123.db2.gz RQVVKIRDGOSQTD-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001176167393 1385500801 /nfs/dbraw/zinc/50/08/01/1385500801.db2.gz YRSAMBREXYAVIL-LXPRWKDFSA-N 2 2 348.535 3.054 20 0 EGADLP C[NH+](C)CCCOc1ccc(Nc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC001176355117 1385561831 /nfs/dbraw/zinc/56/18/31/1385561831.db2.gz LWGJOLXSPUCOSH-UHFFFAOYSA-N 2 2 337.427 3.341 20 0 EGADLP Cc1cc([NH+]2CCCCC2)ccc1Nc1cnn(CC[NH+](C)C)c1 ZINC001176450206 1385592065 /nfs/dbraw/zinc/59/20/65/1385592065.db2.gz AAAZPDWKEDMADO-UHFFFAOYSA-N 2 2 327.476 3.487 20 0 EGADLP CCOc1ccc(CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001318477200 1385712372 /nfs/dbraw/zinc/71/23/72/1385712372.db2.gz DGFDVCKXENIVNY-UHFFFAOYSA-N 2 2 336.395 3.156 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC001177351800 1385925097 /nfs/dbraw/zinc/92/50/97/1385925097.db2.gz RQENNYZKWXLUNU-OAHLLOKOSA-N 2 2 348.878 3.174 20 0 EGADLP O=C(CCn1cc[nH+]c1)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177378907 1385935167 /nfs/dbraw/zinc/93/51/67/1385935167.db2.gz OEAFJNKMVLKIIK-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177492204 1385977104 /nfs/dbraw/zinc/97/71/04/1385977104.db2.gz CRLFMXICMULHFM-UHFFFAOYSA-N 2 2 334.508 3.072 20 0 EGADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001319551931 1386175147 /nfs/dbraw/zinc/17/51/47/1386175147.db2.gz JQLOSKHDUSQIGA-SFHVURJKSA-N 2 2 327.472 3.370 20 0 EGADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001319551931 1386175150 /nfs/dbraw/zinc/17/51/50/1386175150.db2.gz JQLOSKHDUSQIGA-SFHVURJKSA-N 2 2 327.472 3.370 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178346974 1386193302 /nfs/dbraw/zinc/19/33/02/1386193302.db2.gz YVURBQCRZVBVSL-KRWDZBQOSA-N 2 2 336.524 3.291 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccccc1F ZINC001319763890 1386285650 /nfs/dbraw/zinc/28/56/50/1386285650.db2.gz VREIDVYWRGEGDU-KRWDZBQOSA-N 2 2 341.474 3.424 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001319817120 1386313006 /nfs/dbraw/zinc/31/30/06/1386313006.db2.gz MWEIURSBZNRYEY-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178851768 1386328612 /nfs/dbraw/zinc/32/86/12/1386328612.db2.gz HITWPSGPGCNVRV-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178851769 1386328833 /nfs/dbraw/zinc/32/88/33/1386328833.db2.gz HITWPSGPGCNVRV-SFHVURJKSA-N 2 2 348.535 3.148 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178866066 1386333001 /nfs/dbraw/zinc/33/30/01/1386333001.db2.gz UKGSBTFNMSUGFM-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179098027 1386399598 /nfs/dbraw/zinc/39/95/98/1386399598.db2.gz YXADLVCODOQNOO-WAYWQWQTSA-N 2 2 348.535 3.365 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276603 1386752717 /nfs/dbraw/zinc/75/27/17/1386752717.db2.gz WNWZFWMVFZIHLI-IRXDYDNUSA-N 2 2 334.508 3.069 20 0 EGADLP CC1(C)CC(C[NH2+]CCCCCCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001180451456 1386800654 /nfs/dbraw/zinc/80/06/54/1386800654.db2.gz AWYPDVLJFUNZAW-UHFFFAOYSA-N 2 2 348.535 3.366 20 0 EGADLP C[N@H+](CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC001181137446 1386944204 /nfs/dbraw/zinc/94/42/04/1386944204.db2.gz SIGMYPLAWSVLSI-UHFFFAOYSA-N 2 2 334.423 3.333 20 0 EGADLP C[N@@H+](CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC001181137446 1386944209 /nfs/dbraw/zinc/94/42/09/1386944209.db2.gz SIGMYPLAWSVLSI-UHFFFAOYSA-N 2 2 334.423 3.333 20 0 EGADLP COc1ccc(CCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001321818711 1386990303 /nfs/dbraw/zinc/99/03/03/1386990303.db2.gz KZKIOXBIOFHDGL-UHFFFAOYSA-N 2 2 336.395 3.156 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)[nH+]1 ZINC001322861222 1387248248 /nfs/dbraw/zinc/24/82/48/1387248248.db2.gz HZFYVJUJFOZDLN-KRWDZBQOSA-N 2 2 339.439 3.238 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861582 1387248814 /nfs/dbraw/zinc/24/88/14/1387248814.db2.gz JNPLJGUTXWPCII-CRAIPNDOSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(F)c(F)c2)[nH+]1 ZINC001322861582 1387248818 /nfs/dbraw/zinc/24/88/18/1387248818.db2.gz JNPLJGUTXWPCII-CRAIPNDOSA-N 2 2 347.409 3.278 20 0 EGADLP CNc1nc(NC2CCN(c3cc[nH+]cc3)CC2)[nH+]c2ccccc21 ZINC001336900209 1389200929 /nfs/dbraw/zinc/20/09/29/1389200929.db2.gz UCCFSMRXGYYMEO-UHFFFAOYSA-N 2 2 334.427 3.147 20 0 EGADLP CC[NH+](CC)CC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001337344863 1389312161 /nfs/dbraw/zinc/31/21/61/1389312161.db2.gz TTZSOQWETJCVIA-HNNXBMFYSA-N 2 2 338.459 3.348 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001331538300 1389789460 /nfs/dbraw/zinc/78/94/60/1389789460.db2.gz CWHUXXZMKPVXQJ-RTBURBONSA-N 2 2 334.529 3.235 20 0 EGADLP CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001331538300 1389789465 /nfs/dbraw/zinc/78/94/65/1389789465.db2.gz CWHUXXZMKPVXQJ-RTBURBONSA-N 2 2 334.529 3.235 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC001339092608 1389896088 /nfs/dbraw/zinc/89/60/88/1389896088.db2.gz CUUCVQUNNPQFAX-LBPRGKRZSA-N 2 2 340.358 3.121 20 0 EGADLP CC(C)C[C@H]([NH3+])CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001341029210 1390428325 /nfs/dbraw/zinc/42/83/25/1390428325.db2.gz FAOPXSZCCFLSLT-INIZCTEOSA-N 2 2 338.455 3.304 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC001334355751 1390524188 /nfs/dbraw/zinc/52/41/88/1390524188.db2.gz QFKRALGEFDJFCA-MOPGFXCFSA-N 2 2 327.472 3.142 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC001334355751 1390524190 /nfs/dbraw/zinc/52/41/90/1390524190.db2.gz QFKRALGEFDJFCA-MOPGFXCFSA-N 2 2 327.472 3.142 20 0 EGADLP COc1cccc(SCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001347105112 1391001169 /nfs/dbraw/zinc/00/11/69/1391001169.db2.gz UPEHPORUXNQFRL-INIZCTEOSA-N 2 2 345.512 3.476 20 0 EGADLP COc1cccc(SCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC001347105112 1391001170 /nfs/dbraw/zinc/00/11/70/1391001170.db2.gz UPEHPORUXNQFRL-INIZCTEOSA-N 2 2 345.512 3.476 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CCCC2)c1 ZINC001698805971 1406487102 /nfs/dbraw/zinc/48/71/02/1406487102.db2.gz BFMFIGKVJCOZII-MRXNPFEDSA-N 2 2 340.471 3.040 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001480487044 1392767291 /nfs/dbraw/zinc/76/72/91/1392767291.db2.gz RNAAPCYVIHWBNW-CQSZACIVSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001480507221 1392773604 /nfs/dbraw/zinc/77/36/04/1392773604.db2.gz JMOSSLMJJZFKAU-JKSUJKDBSA-N 2 2 325.456 3.476 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C/c1ccccc1 ZINC001481824182 1394546867 /nfs/dbraw/zinc/54/68/67/1394546867.db2.gz PZAASSSXPAMVPI-YOCVDRLZSA-N 2 2 348.450 3.374 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001482154047 1394774067 /nfs/dbraw/zinc/77/40/67/1394774067.db2.gz HHSWSMCHJHUQMY-HOTGVXAUSA-N 2 2 342.487 3.179 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001482544471 1395081349 /nfs/dbraw/zinc/08/13/49/1395081349.db2.gz FXIRAFUQDILJLP-HKUYNNGSSA-N 2 2 342.487 3.073 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001484766438 1395521549 /nfs/dbraw/zinc/52/15/49/1395521549.db2.gz RMHQEWLYYWTASW-WMZOPIPTSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001484766438 1395521553 /nfs/dbraw/zinc/52/15/53/1395521553.db2.gz RMHQEWLYYWTASW-WMZOPIPTSA-N 2 2 348.535 3.257 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001698989316 1406776586 /nfs/dbraw/zinc/77/65/86/1406776586.db2.gz JGWMTHULXHKVFS-GOSISDBHSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001698989316 1406776588 /nfs/dbraw/zinc/77/65/88/1406776588.db2.gz JGWMTHULXHKVFS-GOSISDBHSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001698989316 1406776590 /nfs/dbraw/zinc/77/65/90/1406776590.db2.gz JGWMTHULXHKVFS-GOSISDBHSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001698989316 1406776595 /nfs/dbraw/zinc/77/65/95/1406776595.db2.gz JGWMTHULXHKVFS-GOSISDBHSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001495203702 1396524262 /nfs/dbraw/zinc/52/42/62/1396524262.db2.gz YXXKRWYVXMBYEB-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001495203702 1396524274 /nfs/dbraw/zinc/52/42/74/1396524274.db2.gz YXXKRWYVXMBYEB-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001690392482 1404533791 /nfs/dbraw/zinc/53/37/91/1404533791.db2.gz YTTHXMSBBLSYHM-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001690392482 1404533797 /nfs/dbraw/zinc/53/37/97/1404533797.db2.gz YTTHXMSBBLSYHM-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001690590619 1404642952 /nfs/dbraw/zinc/64/29/52/1404642952.db2.gz CJESSOJXDVWRAI-GJZGRUSLSA-N 2 2 336.439 3.340 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)cc2C)c(C)[nH+]1 ZINC001690604817 1404648652 /nfs/dbraw/zinc/64/86/52/1404648652.db2.gz RKHMTNIMXVSJFC-HNNXBMFYSA-N 2 2 343.446 3.362 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001690980831 1404893145 /nfs/dbraw/zinc/89/31/45/1404893145.db2.gz ULSCTTUEOIPJLG-LSDHHAIUSA-N 2 2 348.878 3.297 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001690980831 1404893149 /nfs/dbraw/zinc/89/31/49/1404893149.db2.gz ULSCTTUEOIPJLG-LSDHHAIUSA-N 2 2 348.878 3.297 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)cc1 ZINC001692203317 1405839591 /nfs/dbraw/zinc/83/95/91/1405839591.db2.gz CBRGYJFZTHRCHR-MRXNPFEDSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001692203317 1405839596 /nfs/dbraw/zinc/83/95/96/1405839596.db2.gz CBRGYJFZTHRCHR-MRXNPFEDSA-N 2 2 343.515 3.156 20 0 EGADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001732222406 1428471391 /nfs/dbraw/zinc/47/13/91/1428471391.db2.gz JQBMOOPJZLBBDE-CRAIPNDOSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]C/C=C\Cl)CCCC3)ccn12 ZINC001732393028 1428561638 /nfs/dbraw/zinc/56/16/38/1428561638.db2.gz ZCOVZYVQXQKMPJ-YWEYNIOJSA-N 2 2 346.862 3.027 20 0 EGADLP CC[C@@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC001732397001 1428564210 /nfs/dbraw/zinc/56/42/10/1428564210.db2.gz IMWXLQRPUAWVCD-QGZVFWFLSA-N 2 2 340.471 3.122 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624583 1412990128 /nfs/dbraw/zinc/99/01/28/1412990128.db2.gz UZSVTANBOLVDQR-KSSFIOAISA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624583 1412990134 /nfs/dbraw/zinc/99/01/34/1412990134.db2.gz UZSVTANBOLVDQR-KSSFIOAISA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001699624583 1412990135 /nfs/dbraw/zinc/99/01/35/1412990135.db2.gz UZSVTANBOLVDQR-KSSFIOAISA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699624583 1412990140 /nfs/dbraw/zinc/99/01/40/1412990140.db2.gz UZSVTANBOLVDQR-KSSFIOAISA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001699824034 1413248100 /nfs/dbraw/zinc/24/81/00/1413248100.db2.gz IPXQRGXCFZJDOB-IBGZPJMESA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001699824034 1413248104 /nfs/dbraw/zinc/24/81/04/1413248104.db2.gz IPXQRGXCFZJDOB-IBGZPJMESA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001700765736 1414439815 /nfs/dbraw/zinc/43/98/15/1414439815.db2.gz BOGOVZGWZQALTL-HZPDHXFCSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CC(C)C)C(C)(C)C)ccn12 ZINC001700985486 1414627319 /nfs/dbraw/zinc/62/73/19/1414627319.db2.gz OTGTZUISPIHUML-INIZCTEOSA-N 2 2 330.476 3.033 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)c1ccccc1 ZINC001700995352 1414643429 /nfs/dbraw/zinc/64/34/29/1414643429.db2.gz PABUQWQUXKPXGD-SJORKVTESA-N 2 2 342.487 3.224 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001713000240 1417553656 /nfs/dbraw/zinc/55/36/56/1417553656.db2.gz QYFBQCPSBMXIJV-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001713000240 1417553659 /nfs/dbraw/zinc/55/36/59/1417553659.db2.gz QYFBQCPSBMXIJV-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCCC(C)(C)C)C3)ccn12 ZINC001713082680 1417628921 /nfs/dbraw/zinc/62/89/21/1417628921.db2.gz FXWHBGDWLSVJCI-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCCC(C)(C)C)C3)ccn12 ZINC001713082680 1417628924 /nfs/dbraw/zinc/62/89/24/1417628924.db2.gz FXWHBGDWLSVJCI-KRWDZBQOSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1Cl ZINC001713413975 1418037131 /nfs/dbraw/zinc/03/71/31/1418037131.db2.gz KZUIYHJFEFNXAA-HUUCEWRRSA-N 2 2 348.878 3.172 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609347 1419368501 /nfs/dbraw/zinc/36/85/01/1419368501.db2.gz GBIOPMKZOAPEFA-MOPGFXCFSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609347 1419368502 /nfs/dbraw/zinc/36/85/02/1419368502.db2.gz GBIOPMKZOAPEFA-MOPGFXCFSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609347 1419368505 /nfs/dbraw/zinc/36/85/05/1419368505.db2.gz GBIOPMKZOAPEFA-MOPGFXCFSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609347 1419368509 /nfs/dbraw/zinc/36/85/09/1419368509.db2.gz GBIOPMKZOAPEFA-MOPGFXCFSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H]([NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1)c1ccccc1 ZINC001714844822 1419557101 /nfs/dbraw/zinc/55/71/01/1419557101.db2.gz GUMCYTZWHGFWQH-APWZRJJASA-N 2 2 348.450 3.161 20 0 EGADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001715038845 1419776092 /nfs/dbraw/zinc/77/60/92/1419776092.db2.gz JAXVFKUNIDVNFA-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001715038845 1419776095 /nfs/dbraw/zinc/77/60/95/1419776095.db2.gz JAXVFKUNIDVNFA-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCC1CCCC1 ZINC001715055635 1419796441 /nfs/dbraw/zinc/79/64/41/1419796441.db2.gz IBAAFVJRSOHOTM-GOSISDBHSA-N 2 2 342.487 3.321 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@@H](C)c1ccccc1C)C(C)C ZINC001715502794 1420185838 /nfs/dbraw/zinc/18/58/38/1420185838.db2.gz BOMUVFVYIALDFE-KXBFYZLASA-N 2 2 342.487 3.061 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+][C@@H](C)c3ccccc3)ccn12 ZINC001715929029 1420402344 /nfs/dbraw/zinc/40/23/44/1420402344.db2.gz BUONVKGKEXPLLZ-ZBFHGGJFSA-N 2 2 336.439 3.112 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715984712 1420443503 /nfs/dbraw/zinc/44/35/03/1420443503.db2.gz HIKXSHDFDRZUEI-IRXDYDNUSA-N 2 2 348.450 3.341 20 0 EGADLP O=C(NCC1([NH2+]CC2CCCCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001716687747 1420840934 /nfs/dbraw/zinc/84/09/34/1420840934.db2.gz HBBRJGJETKWCCL-UHFFFAOYSA-N 2 2 340.471 3.157 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001716768977 1420913809 /nfs/dbraw/zinc/91/38/09/1420913809.db2.gz JOMFTLUBPGVSJU-FUHWJXTLSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001717202700 1421171146 /nfs/dbraw/zinc/17/11/46/1421171146.db2.gz YIZWOYGFYQAFMY-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001717202700 1421171147 /nfs/dbraw/zinc/17/11/47/1421171147.db2.gz YIZWOYGFYQAFMY-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC1CCCCCC1 ZINC001725001343 1425410887 /nfs/dbraw/zinc/41/08/87/1425410887.db2.gz HHZBLIZMZPIDAR-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC1CCCCCC1 ZINC001725001343 1425410891 /nfs/dbraw/zinc/41/08/91/1425410891.db2.gz HHZBLIZMZPIDAR-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCC1 ZINC001725237462 1425828249 /nfs/dbraw/zinc/82/82/49/1425828249.db2.gz CEYQXSBRKQIPTM-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@H+]1CCCC1CCC1 ZINC001725237462 1425828255 /nfs/dbraw/zinc/82/82/55/1425828255.db2.gz CEYQXSBRKQIPTM-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001725512559 1426200926 /nfs/dbraw/zinc/20/09/26/1426200926.db2.gz CCMRGXMLQACMKQ-STQMWFEESA-N 2 2 348.878 3.112 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C)cs1 ZINC001725740616 1426416647 /nfs/dbraw/zinc/41/66/47/1426416647.db2.gz QKCOWJAUDFSLRO-INIZCTEOSA-N 2 2 348.516 3.033 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C)cs1 ZINC001725740616 1426416650 /nfs/dbraw/zinc/41/66/50/1426416650.db2.gz QKCOWJAUDFSLRO-INIZCTEOSA-N 2 2 348.516 3.033 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001731543291 1427556920 /nfs/dbraw/zinc/55/69/20/1427556920.db2.gz VWTUUNRDBLGRBD-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001731543291 1427556923 /nfs/dbraw/zinc/55/69/23/1427556923.db2.gz VWTUUNRDBLGRBD-SFHVURJKSA-N 2 2 348.535 3.460 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001731559708 1427592474 /nfs/dbraw/zinc/59/24/74/1427592474.db2.gz QXVKCINWRFBXLW-NVXWUHKLSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001731559708 1427592478 /nfs/dbraw/zinc/59/24/78/1427592478.db2.gz QXVKCINWRFBXLW-NVXWUHKLSA-N 2 2 348.535 3.304 20 0 EGADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1CCCCCC1 ZINC001731607456 1427652859 /nfs/dbraw/zinc/65/28/59/1427652859.db2.gz UPUCJYDEFVVBHJ-INIZCTEOSA-N 2 2 342.487 3.403 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001734043258 1437831356 /nfs/dbraw/zinc/83/13/56/1437831356.db2.gz CFVAJCZEGLPJGP-LBPRGKRZSA-N 2 2 342.468 3.183 20 0 EGADLP Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001734043258 1437831358 /nfs/dbraw/zinc/83/13/58/1437831358.db2.gz CFVAJCZEGLPJGP-LBPRGKRZSA-N 2 2 342.468 3.183 20 0 EGADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001752440442 1440181262 /nfs/dbraw/zinc/18/12/62/1440181262.db2.gz WZCQTHGRWYGXPG-QGZVFWFLSA-N 2 2 348.535 3.337 20 0 EGADLP C[C@H](CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036388 1440274937 /nfs/dbraw/zinc/27/49/37/1440274937.db2.gz XMMOGMPRSBLPGC-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCCC1)n1cc[nH+]c1 ZINC001753036388 1440274938 /nfs/dbraw/zinc/27/49/38/1440274938.db2.gz XMMOGMPRSBLPGC-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001753039557 1440275692 /nfs/dbraw/zinc/27/56/92/1440275692.db2.gz FEPWWQALDXHUAF-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC001753039557 1440275693 /nfs/dbraw/zinc/27/56/93/1440275693.db2.gz FEPWWQALDXHUAF-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001753300737 1440353960 /nfs/dbraw/zinc/35/39/60/1440353960.db2.gz ZMPDAVMOVDIFTO-IBGZPJMESA-N 2 2 336.439 3.280 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352372 1440378480 /nfs/dbraw/zinc/37/84/80/1440378480.db2.gz MKMISIWWKGQUPL-OALUTQOASA-N 2 2 346.519 3.217 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352372 1440378481 /nfs/dbraw/zinc/37/84/81/1440378481.db2.gz MKMISIWWKGQUPL-OALUTQOASA-N 2 2 346.519 3.217 20 0 EGADLP C[C@@H](CC(=O)N[C@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1)n1cc[nH+]c1 ZINC001753525295 1440429569 /nfs/dbraw/zinc/42/95/69/1440429569.db2.gz WOUVQRNKYOUNRF-MGPUTAFESA-N 2 2 346.519 3.145 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C[NH2+]C/C=C/Cl ZINC001753806745 1440491844 /nfs/dbraw/zinc/49/18/44/1440491844.db2.gz DLACYJVOMQZDOF-QWIYWNQMSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753975794 1440527574 /nfs/dbraw/zinc/52/75/74/1440527574.db2.gz MIBZWLPDRPCOEX-LIRRHRJNSA-N 2 2 348.450 3.348 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC001754242192 1440555996 /nfs/dbraw/zinc/55/59/96/1440555996.db2.gz CPIYPUBUFSXLJG-QZTJIDSGSA-N 2 2 342.487 3.054 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001754267389 1440560757 /nfs/dbraw/zinc/56/07/57/1440560757.db2.gz IBCJMHOFIUELTF-LFAOLKIESA-N 2 2 328.460 3.097 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC001754297997 1440566891 /nfs/dbraw/zinc/56/68/91/1440566891.db2.gz UJSACMGAYSQCEY-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001754378149 1440593060 /nfs/dbraw/zinc/59/30/60/1440593060.db2.gz YSJXLRSQWWAXPB-QZTJIDSGSA-N 2 2 346.519 3.312 20 0 EGADLP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001754378149 1440593061 /nfs/dbraw/zinc/59/30/61/1440593061.db2.gz YSJXLRSQWWAXPB-QZTJIDSGSA-N 2 2 346.519 3.312 20 0 EGADLP Cc1cccn2cc(CC(=O)N(C)CCC[NH2+]CCC(C)(C)C)[nH+]c12 ZINC001754403293 1440595341 /nfs/dbraw/zinc/59/53/41/1440595341.db2.gz MTKFTZWEUKXXCM-UHFFFAOYSA-N 2 2 344.503 3.060 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564715 1440634971 /nfs/dbraw/zinc/63/49/71/1440634971.db2.gz HSKPUJPDYSVWKZ-ICSRJNTNSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564715 1440634972 /nfs/dbraw/zinc/63/49/72/1440634972.db2.gz HSKPUJPDYSVWKZ-ICSRJNTNSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001754649492 1440651455 /nfs/dbraw/zinc/65/14/55/1440651455.db2.gz DCXYTEKOKCKKOB-FZKQIMNGSA-N 2 2 346.450 3.189 20 0 EGADLP CC(C)(C)CCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001754938818 1440711616 /nfs/dbraw/zinc/71/16/16/1440711616.db2.gz FSGFNJZHGJTDQO-INIZCTEOSA-N 2 2 348.535 3.342 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024779 1440728205 /nfs/dbraw/zinc/72/82/05/1440728205.db2.gz INEKDEIOJJWXGU-OALUTQOASA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024779 1440728206 /nfs/dbraw/zinc/72/82/06/1440728206.db2.gz INEKDEIOJJWXGU-OALUTQOASA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029785 1440730952 /nfs/dbraw/zinc/73/09/52/1440730952.db2.gz QKKLRJYUDCZARE-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029785 1440730953 /nfs/dbraw/zinc/73/09/53/1440730953.db2.gz QKKLRJYUDCZARE-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029785 1440730954 /nfs/dbraw/zinc/73/09/54/1440730954.db2.gz QKKLRJYUDCZARE-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029785 1440730955 /nfs/dbraw/zinc/73/09/55/1440730955.db2.gz QKKLRJYUDCZARE-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366254 1440834709 /nfs/dbraw/zinc/83/47/09/1440834709.db2.gz NVZVIYFEQINHKG-XDXAGZTOSA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C\CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001755366254 1440834710 /nfs/dbraw/zinc/83/47/10/1440834710.db2.gz NVZVIYFEQINHKG-XDXAGZTOSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001755368679 1440836429 /nfs/dbraw/zinc/83/64/29/1440836429.db2.gz VBXIPRDWGQSTQZ-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001755368679 1440836430 /nfs/dbraw/zinc/83/64/30/1440836430.db2.gz VBXIPRDWGQSTQZ-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCC(C)C)C[C@H]32)c(C)[nH+]1 ZINC001755425415 1440850402 /nfs/dbraw/zinc/85/04/02/1440850402.db2.gz JUYSGJYOEHHYTO-LDLYASANSA-N 2 2 343.515 3.351 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCC(C)C)C[C@H]32)c(C)[nH+]1 ZINC001755425415 1440850403 /nfs/dbraw/zinc/85/04/03/1440850403.db2.gz JUYSGJYOEHHYTO-LDLYASANSA-N 2 2 343.515 3.351 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001755507291 1440863199 /nfs/dbraw/zinc/86/31/99/1440863199.db2.gz CJINZFGPTMRUGG-GFCCVEGCSA-N 2 2 345.409 3.447 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001755756444 1440914125 /nfs/dbraw/zinc/91/41/25/1440914125.db2.gz DEBYPAQMHCEATM-LZYNDVPASA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001755756444 1440914126 /nfs/dbraw/zinc/91/41/26/1440914126.db2.gz DEBYPAQMHCEATM-LZYNDVPASA-N 2 2 344.503 3.086 20 0 EGADLP Cc1cc(C)[nH+]c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001164646280 719307029 /nfs/dbraw/zinc/30/70/29/719307029.db2.gz DEYHSFATDVEZHR-UHFFFAOYSA-N 2 2 327.476 3.100 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000368134317 168315685 /nfs/dbraw/zinc/31/56/85/168315685.db2.gz LRFGMWGZEBZEIZ-GOSISDBHSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000368134317 168315687 /nfs/dbraw/zinc/31/56/87/168315687.db2.gz LRFGMWGZEBZEIZ-GOSISDBHSA-N 2 2 348.450 3.384 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302111 168340953 /nfs/dbraw/zinc/34/09/53/168340953.db2.gz QZVXNAADBGWWPP-HIFRSBDPSA-N 2 2 346.368 3.293 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302111 168340954 /nfs/dbraw/zinc/34/09/54/168340954.db2.gz QZVXNAADBGWWPP-HIFRSBDPSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302111 168340957 /nfs/dbraw/zinc/34/09/57/168340957.db2.gz QZVXNAADBGWWPP-HIFRSBDPSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@H]2C1 ZINC000368302111 168340958 /nfs/dbraw/zinc/34/09/58/168340958.db2.gz QZVXNAADBGWWPP-HIFRSBDPSA-N 2 2 346.368 3.293 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000368569568 168374493 /nfs/dbraw/zinc/37/44/93/168374493.db2.gz XAFBJFVCJWZRPB-ZDUSSCGKSA-N 2 2 349.475 3.090 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000368578328 168376621 /nfs/dbraw/zinc/37/66/21/168376621.db2.gz MAZYNOBGWSVMPM-LJQANCHMSA-N 2 2 329.488 3.093 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](CO)C2CCCCC2)n1-c1ccccc1 ZINC000339518770 282153676 /nfs/dbraw/zinc/15/36/76/282153676.db2.gz ORVYCLNBRKPHRU-GOSISDBHSA-N 2 2 327.472 3.459 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352527271 282240146 /nfs/dbraw/zinc/24/01/46/282240146.db2.gz YNUAJGQZVJUXAH-IBGZPJMESA-N 2 2 344.890 3.410 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352527271 282240147 /nfs/dbraw/zinc/24/01/47/282240147.db2.gz YNUAJGQZVJUXAH-IBGZPJMESA-N 2 2 344.890 3.410 20 0 EGADLP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000068510968 215314227 /nfs/dbraw/zinc/31/42/27/215314227.db2.gz NBXHNSRKAKSQJT-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181083613 234082333 /nfs/dbraw/zinc/08/23/33/234082333.db2.gz ZRRRWLLWFQZYCU-LBPRGKRZSA-N 2 2 338.814 3.025 20 0 EGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181083613 234082338 /nfs/dbraw/zinc/08/23/38/234082338.db2.gz ZRRRWLLWFQZYCU-LBPRGKRZSA-N 2 2 338.814 3.025 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181098234 234085337 /nfs/dbraw/zinc/08/53/37/234085337.db2.gz LOECDTDEXSHRNT-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181098234 234085340 /nfs/dbraw/zinc/08/53/40/234085340.db2.gz LOECDTDEXSHRNT-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000342700713 291188999 /nfs/dbraw/zinc/18/89/99/291188999.db2.gz JADWILHUYHXDQO-HIFRSBDPSA-N 2 2 326.444 3.089 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130576533 223162730 /nfs/dbraw/zinc/16/27/30/223162730.db2.gz NALGRTYSQZWOAI-UHFFFAOYSA-N 2 2 329.423 3.222 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130576533 223162732 /nfs/dbraw/zinc/16/27/32/223162732.db2.gz NALGRTYSQZWOAI-UHFFFAOYSA-N 2 2 329.423 3.222 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000131614244 223251336 /nfs/dbraw/zinc/25/13/36/223251336.db2.gz DZOQZOUOGXQWAD-NSHDSACASA-N 2 2 327.350 3.230 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000131614244 223251339 /nfs/dbraw/zinc/25/13/39/223251339.db2.gz DZOQZOUOGXQWAD-NSHDSACASA-N 2 2 327.350 3.230 20 0 EGADLP CC(C)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCCCC1 ZINC000194977435 240791456 /nfs/dbraw/zinc/79/14/56/240791456.db2.gz GWEISIRZABLSRJ-MOPGFXCFSA-N 2 2 341.503 3.384 20 0 EGADLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231668863 242269851 /nfs/dbraw/zinc/26/98/51/242269851.db2.gz STDDPQCLTOBBJM-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231668863 242269855 /nfs/dbraw/zinc/26/98/55/242269855.db2.gz STDDPQCLTOBBJM-GFCCVEGCSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000247163143 243386462 /nfs/dbraw/zinc/38/64/62/243386462.db2.gz AMQIWXUSSYPHOP-HNAYVOBHSA-N 2 2 339.439 3.286 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000247163143 243386468 /nfs/dbraw/zinc/38/64/68/243386468.db2.gz AMQIWXUSSYPHOP-HNAYVOBHSA-N 2 2 339.439 3.286 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000265011401 247133083 /nfs/dbraw/zinc/13/30/83/247133083.db2.gz UUTGFFDSIYVCMJ-UHFFFAOYSA-N 2 2 337.423 3.184 20 0 EGADLP Fc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377337865 169012294 /nfs/dbraw/zinc/01/22/94/169012294.db2.gz QPLPVFLMYHXQCV-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377337865 169012296 /nfs/dbraw/zinc/01/22/96/169012296.db2.gz QPLPVFLMYHXQCV-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377337865 169012298 /nfs/dbraw/zinc/01/22/98/169012298.db2.gz QPLPVFLMYHXQCV-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377337865 169012300 /nfs/dbraw/zinc/01/23/00/169012300.db2.gz QPLPVFLMYHXQCV-RBUKOAKNSA-N 2 2 325.431 3.175 20 0 EGADLP COC(=O)c1oc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C ZINC000377653626 169055501 /nfs/dbraw/zinc/05/55/01/169055501.db2.gz UYUHZPZQASNSGA-UHFFFAOYSA-N 2 2 344.411 3.121 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2[nH+]c1C1CC1 ZINC000377738498 169069924 /nfs/dbraw/zinc/06/99/24/169069924.db2.gz PSQLKUZRWOSZGU-JKSUJKDBSA-N 2 2 338.455 3.025 20 0 EGADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(SC)cc1OC ZINC000092648381 218156184 /nfs/dbraw/zinc/15/61/84/218156184.db2.gz QQTFPAHAJWTVRJ-UHFFFAOYSA-N 2 2 347.484 3.459 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000192868140 284773691 /nfs/dbraw/zinc/77/36/91/284773691.db2.gz PZWWGBKRIMLEKB-IBGZPJMESA-N 2 2 332.488 3.345 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451753 251070359 /nfs/dbraw/zinc/07/03/59/251070359.db2.gz RRMGBYHLNDATTB-CVEARBPZSA-N 2 2 326.444 3.031 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451753 251070362 /nfs/dbraw/zinc/07/03/62/251070362.db2.gz RRMGBYHLNDATTB-CVEARBPZSA-N 2 2 326.444 3.031 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469512 251086466 /nfs/dbraw/zinc/08/64/66/251086466.db2.gz XNLXURQISYWCKP-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000267469512 251086471 /nfs/dbraw/zinc/08/64/71/251086471.db2.gz XNLXURQISYWCKP-JKSUJKDBSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Cl)c1 ZINC000268794377 252245749 /nfs/dbraw/zinc/24/57/49/252245749.db2.gz FDEHAGQOIKHYAQ-STQMWFEESA-N 2 2 344.850 3.165 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797836 252250438 /nfs/dbraw/zinc/25/04/38/252250438.db2.gz FKGXVMUERAOTEI-YLJYHZDGSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797836 252250440 /nfs/dbraw/zinc/25/04/40/252250440.db2.gz FKGXVMUERAOTEI-YLJYHZDGSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815489 252267492 /nfs/dbraw/zinc/26/74/92/252267492.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815489 252267497 /nfs/dbraw/zinc/26/74/97/252267497.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815489 252267500 /nfs/dbraw/zinc/26/75/00/252267500.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815489 252267504 /nfs/dbraw/zinc/26/75/04/252267504.db2.gz MDVSGSIKKKMMGU-HOJAQTOUSA-N 3 2 327.516 3.113 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000268820784 252270805 /nfs/dbraw/zinc/27/08/05/252270805.db2.gz NXOWLEXJWPXKDX-BXWFABGCSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000268820784 252270808 /nfs/dbraw/zinc/27/08/08/252270808.db2.gz NXOWLEXJWPXKDX-BXWFABGCSA-N 2 2 326.488 3.432 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000268834101 252283694 /nfs/dbraw/zinc/28/36/94/252283694.db2.gz LHRIZRYBFAUSAW-MRXNPFEDSA-N 2 2 340.920 3.313 20 0 EGADLP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268843016 252289887 /nfs/dbraw/zinc/28/98/87/252289887.db2.gz AZHJKHZUODDYDS-UYAOXDASSA-N 2 2 333.520 3.008 20 0 EGADLP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268843016 252289891 /nfs/dbraw/zinc/28/98/91/252289891.db2.gz AZHJKHZUODDYDS-UYAOXDASSA-N 2 2 333.520 3.008 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000268854075 252301968 /nfs/dbraw/zinc/30/19/68/252301968.db2.gz XGOYJFAKLFNHCN-ZIAGYGMSSA-N 2 2 327.407 3.256 20 0 EGADLP C[NH+](C)CC(C)(C)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112627132 220359542 /nfs/dbraw/zinc/35/95/42/220359542.db2.gz IPYSUBNRIQAUIL-UHFFFAOYSA-N 2 2 327.428 3.192 20 0 EGADLP CCOCc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000119557328 221347040 /nfs/dbraw/zinc/34/70/40/221347040.db2.gz KXYSZYPPXYGTEO-UHFFFAOYSA-N 2 2 325.456 3.377 20 0 EGADLP CCOc1cccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000328656903 258018822 /nfs/dbraw/zinc/01/88/22/258018822.db2.gz ZTZMMFIFFMRNAO-KRWDZBQOSA-N 2 2 345.512 3.462 20 0 EGADLP CCOc1cccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000328656903 258018824 /nfs/dbraw/zinc/01/88/24/258018824.db2.gz ZTZMMFIFFMRNAO-KRWDZBQOSA-N 2 2 345.512 3.462 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1OC(F)F ZINC000153330262 533426320 /nfs/dbraw/zinc/42/63/20/533426320.db2.gz RVGNTSGKPWWHLX-QWHCGFSZSA-N 2 2 346.393 3.046 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000246733061 141028615 /nfs/dbraw/zinc/02/86/15/141028615.db2.gz GHUFTVVFLXOLIE-WSTZPKSXSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000246733061 141028618 /nfs/dbraw/zinc/02/86/18/141028618.db2.gz GHUFTVVFLXOLIE-WSTZPKSXSA-N 2 2 343.515 3.373 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246968095 141046771 /nfs/dbraw/zinc/04/67/71/141046771.db2.gz JFACCFUYFKPSBH-QUCCMNQESA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246968095 141046773 /nfs/dbraw/zinc/04/67/73/141046773.db2.gz JFACCFUYFKPSBH-QUCCMNQESA-N 2 2 339.483 3.269 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000338148790 141103372 /nfs/dbraw/zinc/10/33/72/141103372.db2.gz BTLPHXLWNXULJX-UHFFFAOYSA-N 2 2 344.503 3.171 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)nc1 ZINC000341261367 141146777 /nfs/dbraw/zinc/14/67/77/141146777.db2.gz CLHFJRYPHHVORG-UHFFFAOYSA-N 3 2 344.547 3.292 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2[nH+]c1C(C)(C)C ZINC000346270896 141189459 /nfs/dbraw/zinc/18/94/59/141189459.db2.gz MDZMAFZIEUCZRS-OLZOCXBDSA-N 2 2 328.460 3.327 20 0 EGADLP C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915909 141216279 /nfs/dbraw/zinc/21/62/79/141216279.db2.gz JSDSGJPNGVITQN-SUMWQHHRSA-N 2 2 331.485 3.029 20 0 EGADLP C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347915909 141216281 /nfs/dbraw/zinc/21/62/81/141216281.db2.gz JSDSGJPNGVITQN-SUMWQHHRSA-N 2 2 331.485 3.029 20 0 EGADLP CSc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000352949370 141275542 /nfs/dbraw/zinc/27/55/42/141275542.db2.gz XCGGGLNDYZWOHX-HDICACEKSA-N 2 2 347.572 3.399 20 0 EGADLP CSc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000352949370 141275545 /nfs/dbraw/zinc/27/55/45/141275545.db2.gz XCGGGLNDYZWOHX-HDICACEKSA-N 2 2 347.572 3.399 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cc2n1C ZINC000354606241 141313936 /nfs/dbraw/zinc/31/39/36/141313936.db2.gz ZUMTVWVDVANIJH-HNNXBMFYSA-N 2 2 342.487 3.124 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2n1C ZINC000354606241 141313938 /nfs/dbraw/zinc/31/39/38/141313938.db2.gz ZUMTVWVDVANIJH-HNNXBMFYSA-N 2 2 342.487 3.124 20 0 EGADLP CSc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000356277008 141334458 /nfs/dbraw/zinc/33/44/58/141334458.db2.gz IJMYXVLDBQCOGG-CQSZACIVSA-N 2 2 326.531 3.014 20 0 EGADLP CSc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000356277008 141334459 /nfs/dbraw/zinc/33/44/59/141334459.db2.gz IJMYXVLDBQCOGG-CQSZACIVSA-N 2 2 326.531 3.014 20 0 EGADLP O=C(NCCC[NH+]1CCCC1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000172000742 144014360 /nfs/dbraw/zinc/01/43/60/144014360.db2.gz UVWDWVFLEUNWOW-UHFFFAOYSA-N 2 2 325.412 3.090 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000184973243 144101741 /nfs/dbraw/zinc/10/17/41/144101741.db2.gz GNPHMMQKBCGRGW-OAHLLOKOSA-N 2 2 326.469 3.275 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540477 144276208 /nfs/dbraw/zinc/27/62/08/144276208.db2.gz WAGJSFBYTYYUBO-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540477 144276210 /nfs/dbraw/zinc/27/62/10/144276210.db2.gz WAGJSFBYTYYUBO-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540477 144276212 /nfs/dbraw/zinc/27/62/12/144276212.db2.gz WAGJSFBYTYYUBO-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540477 144276213 /nfs/dbraw/zinc/27/62/13/144276213.db2.gz WAGJSFBYTYYUBO-GOSISDBHSA-N 2 2 338.442 3.165 20 0 EGADLP c1cn(Cc2ccc(NCc3c[nH]nc3-c3ccsc3)[nH+]c2)c[nH+]1 ZINC000351546312 144276865 /nfs/dbraw/zinc/27/68/65/144276865.db2.gz QNQBWENWHVOIOR-UHFFFAOYSA-N 2 2 336.424 3.390 20 0 EGADLP CSCC[C@H](C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351881209 144319503 /nfs/dbraw/zinc/31/95/03/144319503.db2.gz LSGYQCHTWMSRDG-SFHVURJKSA-N 2 2 335.561 3.272 20 0 EGADLP CSCC[C@H](C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351881209 144319505 /nfs/dbraw/zinc/31/95/05/144319505.db2.gz LSGYQCHTWMSRDG-SFHVURJKSA-N 2 2 335.561 3.272 20 0 EGADLP COc1cccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)c(C)c[nH+]c12 ZINC000364287230 144396143 /nfs/dbraw/zinc/39/61/43/144396143.db2.gz ZZHKZYDFMZRAOE-INIZCTEOSA-N 2 2 341.455 3.217 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000372987768 144488202 /nfs/dbraw/zinc/48/82/02/144488202.db2.gz XSJVQBQFYSMWSY-KRWDZBQOSA-N 2 2 347.507 3.012 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806022 549335389 /nfs/dbraw/zinc/33/53/89/549335389.db2.gz UMLLMMCVSVDHHO-PKOBYXMFSA-N 2 2 338.499 3.440 20 0 EGADLP Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806022 549335391 /nfs/dbraw/zinc/33/53/91/549335391.db2.gz UMLLMMCVSVDHHO-PKOBYXMFSA-N 2 2 338.499 3.440 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(C)(C)C ZINC000341122680 155173726 /nfs/dbraw/zinc/17/37/26/155173726.db2.gz GPGABRYRLKTVGO-UHFFFAOYSA-N 2 2 328.460 3.141 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(C)(C)C ZINC000341122680 155173729 /nfs/dbraw/zinc/17/37/29/155173729.db2.gz GPGABRYRLKTVGO-UHFFFAOYSA-N 2 2 328.460 3.141 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](c2ccccc2)C1 ZINC000117581459 152105264 /nfs/dbraw/zinc/10/52/64/152105264.db2.gz NYIDLFAMWJOXAB-HXUWFJFHSA-N 2 2 346.434 3.001 20 0 EGADLP C[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](c2ccccc2)C1 ZINC000117581459 152105266 /nfs/dbraw/zinc/10/52/66/152105266.db2.gz NYIDLFAMWJOXAB-HXUWFJFHSA-N 2 2 346.434 3.001 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117761991 152114653 /nfs/dbraw/zinc/11/46/53/152114653.db2.gz OKLUDZYYGJTDNC-INIZCTEOSA-N 2 2 328.460 3.113 20 0 EGADLP CC(C)CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000117803629 152117140 /nfs/dbraw/zinc/11/71/40/152117140.db2.gz MEYQTXLYWWJXGN-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH+]1 ZINC000121151277 152329393 /nfs/dbraw/zinc/32/93/93/152329393.db2.gz CUNRYKLPVLUAFD-SXLOBPIMSA-N 2 2 337.467 3.021 20 0 EGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(CO)c1 ZINC000121151893 152329454 /nfs/dbraw/zinc/32/94/54/152329454.db2.gz MGLXZHTYGYSKDJ-KRWDZBQOSA-N 2 2 335.451 3.317 20 0 EGADLP COc1ccnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1OC ZINC000191078338 153174902 /nfs/dbraw/zinc/17/49/02/153174902.db2.gz KOTPBOBLHVUPSQ-CQSZACIVSA-N 2 2 338.411 3.135 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191341047 153189456 /nfs/dbraw/zinc/18/94/56/153189456.db2.gz OSLPAGXEGYYSDL-UHFFFAOYSA-N 2 2 335.455 3.061 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000191604192 153210171 /nfs/dbraw/zinc/21/01/71/153210171.db2.gz DLXWJNVBSMGZSN-MRXNPFEDSA-N 2 2 343.309 3.146 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000191604192 153210174 /nfs/dbraw/zinc/21/01/74/153210174.db2.gz DLXWJNVBSMGZSN-MRXNPFEDSA-N 2 2 343.309 3.146 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300706188 154022858 /nfs/dbraw/zinc/02/28/58/154022858.db2.gz AVTGATRPRLDBCG-QWRGUYRKSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300706188 154022861 /nfs/dbraw/zinc/02/28/61/154022861.db2.gz AVTGATRPRLDBCG-QWRGUYRKSA-N 2 2 345.231 3.444 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c(Cl)c1 ZINC000302069204 154025526 /nfs/dbraw/zinc/02/55/26/154025526.db2.gz ZMKOOISMWNNERB-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c(Cl)c1 ZINC000302069204 154025528 /nfs/dbraw/zinc/02/55/28/154025528.db2.gz ZMKOOISMWNNERB-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)C1 ZINC000304960992 154078146 /nfs/dbraw/zinc/07/81/46/154078146.db2.gz MALYTXZKRXACMI-AYOQOUSVSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccsc2)C1 ZINC000304960992 154078156 /nfs/dbraw/zinc/07/81/56/154078156.db2.gz MALYTXZKRXACMI-AYOQOUSVSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285620 154141914 /nfs/dbraw/zinc/14/19/14/154141914.db2.gz QMBJZFCEKOOBNM-HKUYNNGSSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285620 154141918 /nfs/dbraw/zinc/14/19/18/154141918.db2.gz QMBJZFCEKOOBNM-HKUYNNGSSA-N 2 2 326.488 3.373 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000310592965 154143117 /nfs/dbraw/zinc/14/31/17/154143117.db2.gz ZNNMGFNGWAIGKO-VQTJNVASSA-N 2 2 343.515 3.019 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1 ZINC000310592965 154143119 /nfs/dbraw/zinc/14/31/19/154143119.db2.gz ZNNMGFNGWAIGKO-VQTJNVASSA-N 2 2 343.515 3.019 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000336853189 154219319 /nfs/dbraw/zinc/21/93/19/154219319.db2.gz FDLAMIBFICRZIR-HNNXBMFYSA-N 2 2 325.884 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000336853189 154219322 /nfs/dbraw/zinc/21/93/22/154219322.db2.gz FDLAMIBFICRZIR-HNNXBMFYSA-N 2 2 325.884 3.201 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc3ccsc32)CC1 ZINC000337331443 154288918 /nfs/dbraw/zinc/28/89/18/154288918.db2.gz WABFHGJFBMWYJV-UHFFFAOYSA-N 2 2 346.500 3.049 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1OC ZINC000337465530 154366568 /nfs/dbraw/zinc/36/65/68/154366568.db2.gz LUCYKHRARFUVEO-INIZCTEOSA-N 2 2 343.471 3.430 20 0 EGADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000337495182 154382001 /nfs/dbraw/zinc/38/20/01/154382001.db2.gz YATUQYRCKAXVIB-MOPGFXCFSA-N 2 2 338.536 3.064 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2c[nH+]cn2c1 ZINC000339890599 155020673 /nfs/dbraw/zinc/02/06/73/155020673.db2.gz IKZYZVUYRIXSIQ-UHFFFAOYSA-N 2 2 337.770 3.426 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365671700 157213931 /nfs/dbraw/zinc/21/39/31/157213931.db2.gz GJDWGUPGIVIZQN-MRXNPFEDSA-N 2 2 345.830 3.135 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365768202 157226538 /nfs/dbraw/zinc/22/65/38/157226538.db2.gz SAJKZZAMOBAXRW-RHSMWYFYSA-N 2 2 336.395 3.346 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365768202 157226543 /nfs/dbraw/zinc/22/65/43/157226543.db2.gz SAJKZZAMOBAXRW-RHSMWYFYSA-N 2 2 336.395 3.346 20 0 EGADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000239352477 292370055 /nfs/dbraw/zinc/37/00/55/292370055.db2.gz ACIHZHQYILXVID-IEBWSBKVSA-N 2 2 346.434 3.091 20 0 EGADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000239352477 292370057 /nfs/dbraw/zinc/37/00/57/292370057.db2.gz ACIHZHQYILXVID-IEBWSBKVSA-N 2 2 346.434 3.091 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000093564173 162014811 /nfs/dbraw/zinc/01/48/11/162014811.db2.gz COOJFTYKXXBGBO-IBGZPJMESA-N 2 2 342.462 3.462 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000093564173 162014816 /nfs/dbraw/zinc/01/48/16/162014816.db2.gz COOJFTYKXXBGBO-IBGZPJMESA-N 2 2 342.462 3.462 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cn1 ZINC000093942783 162034158 /nfs/dbraw/zinc/03/41/58/162034158.db2.gz RIRZXRWFMOYECH-HNNXBMFYSA-N 2 2 335.455 3.493 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480792 162234732 /nfs/dbraw/zinc/23/47/32/162234732.db2.gz WTTURGKBVRXLKO-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480792 162234737 /nfs/dbraw/zinc/23/47/37/162234737.db2.gz WTTURGKBVRXLKO-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP C[S@](=O)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000121839226 162247971 /nfs/dbraw/zinc/24/79/71/162247971.db2.gz BMRVWGQAVLOKHC-NTKDMRAZSA-N 2 2 339.464 3.082 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccco1 ZINC000249064320 163054495 /nfs/dbraw/zinc/05/44/95/163054495.db2.gz ZCBHXYWMGPPFCP-WTGUMLROSA-N 2 2 340.467 3.203 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccco1 ZINC000249064320 163054499 /nfs/dbraw/zinc/05/44/99/163054499.db2.gz ZCBHXYWMGPPFCP-WTGUMLROSA-N 2 2 340.467 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cnc2ccsc2c1 ZINC000305170362 163075910 /nfs/dbraw/zinc/07/59/10/163075910.db2.gz ZQICKRZPHXPNLB-HOCLYGCPSA-N 2 2 333.501 3.040 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCSC(C)(C)CC3)c2cc1C ZINC000336878335 163085273 /nfs/dbraw/zinc/08/52/73/163085273.db2.gz DGWWHXBTAOVBTI-MRXNPFEDSA-N 2 2 347.528 3.232 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCSC(C)(C)CC3)c2cc1C ZINC000336878335 163085277 /nfs/dbraw/zinc/08/52/77/163085277.db2.gz DGWWHXBTAOVBTI-MRXNPFEDSA-N 2 2 347.528 3.232 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337222669 163168063 /nfs/dbraw/zinc/16/80/63/163168063.db2.gz FSTJIVVPEYGZRY-UHFFFAOYSA-N 2 2 341.293 3.375 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337222669 163168066 /nfs/dbraw/zinc/16/80/66/163168066.db2.gz FSTJIVVPEYGZRY-UHFFFAOYSA-N 2 2 341.293 3.375 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337224295 163169308 /nfs/dbraw/zinc/16/93/08/163169308.db2.gz NICXLTMPSJVNMT-HNNXBMFYSA-N 2 2 335.517 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337224295 163169309 /nfs/dbraw/zinc/16/93/09/163169309.db2.gz NICXLTMPSJVNMT-HNNXBMFYSA-N 2 2 335.517 3.153 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC000337273503 163189933 /nfs/dbraw/zinc/18/99/33/163189933.db2.gz PDNDZEPSDKAIFY-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c(Cl)c1 ZINC000337273503 163189936 /nfs/dbraw/zinc/18/99/36/163189936.db2.gz PDNDZEPSDKAIFY-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP COc1cc(OC)c(CC[NH2+]CCCc2ccc(C)[nH+]c2)c(OC)c1 ZINC000354334881 166005118 /nfs/dbraw/zinc/00/51/18/166005118.db2.gz PAUVROZBAQEAGT-UHFFFAOYSA-N 2 2 344.455 3.181 20 0 EGADLP C[NH+](C)C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1 ZINC000338753268 163338499 /nfs/dbraw/zinc/33/84/99/163338499.db2.gz BDSXGNHBDMDBCJ-MRXNPFEDSA-N 2 2 342.830 3.020 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000354402024 166014096 /nfs/dbraw/zinc/01/40/96/166014096.db2.gz UMJBEWHJESVVCL-AHRSYUTCSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)C1 ZINC000354402024 166014097 /nfs/dbraw/zinc/01/40/97/166014097.db2.gz UMJBEWHJESVVCL-AHRSYUTCSA-N 2 2 337.467 3.028 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000343754303 164027181 /nfs/dbraw/zinc/02/71/81/164027181.db2.gz VEESYRUOXZIBOU-OAHLLOKOSA-N 2 2 346.814 3.160 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000343754303 164027184 /nfs/dbraw/zinc/02/71/84/164027184.db2.gz VEESYRUOXZIBOU-OAHLLOKOSA-N 2 2 346.814 3.160 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000343812000 164040763 /nfs/dbraw/zinc/04/07/63/164040763.db2.gz JVMKEEFDVHNJAR-AWEZNQCLSA-N 2 2 343.862 3.457 20 0 EGADLP Cc1ccoc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000343918498 164066134 /nfs/dbraw/zinc/06/61/34/164066134.db2.gz IJMPIMAMGBBQBO-IAGOWNOFSA-N 2 2 328.456 3.487 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCCCC2 ZINC000344097527 164102410 /nfs/dbraw/zinc/10/24/10/164102410.db2.gz RZOFIJYQGJHKPX-ZWKOTPCHSA-N 2 2 331.504 3.479 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309489 164151875 /nfs/dbraw/zinc/15/18/75/164151875.db2.gz ZURAKAKZWBNOTE-GGPKGHCWSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309489 164151877 /nfs/dbraw/zinc/15/18/77/164151877.db2.gz ZURAKAKZWBNOTE-GGPKGHCWSA-N 2 2 345.531 3.070 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000346320225 164368992 /nfs/dbraw/zinc/36/89/92/164368992.db2.gz FRSJDXBARQCGPP-OAHLLOKOSA-N 2 2 348.409 3.234 20 0 EGADLP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c4cccc(C)n34)c2)CC1 ZINC000354976106 166077606 /nfs/dbraw/zinc/07/76/06/166077606.db2.gz GHMQCXRYNBDRFI-UHFFFAOYSA-N 2 2 349.482 3.397 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCc1noc([C@H]2CCCc3[nH+]ccn32)n1 ZINC000350424092 165047805 /nfs/dbraw/zinc/04/78/05/165047805.db2.gz YYYBFLTZSSMCOC-MRXNPFEDSA-N 2 2 348.410 3.093 20 0 EGADLP C[N@@H+](Cc1ccccc1OCc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000351589042 165101675 /nfs/dbraw/zinc/10/16/75/165101675.db2.gz LNYLVJIBMZURJR-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccccc1OCc1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000351589042 165101677 /nfs/dbraw/zinc/10/16/77/165101677.db2.gz LNYLVJIBMZURJR-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000351589042 165101680 /nfs/dbraw/zinc/10/16/80/165101680.db2.gz LNYLVJIBMZURJR-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000351589042 165101682 /nfs/dbraw/zinc/10/16/82/165101682.db2.gz LNYLVJIBMZURJR-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(F)c1 ZINC000351620706 165104298 /nfs/dbraw/zinc/10/42/98/165104298.db2.gz QSINRYYSIHYDTI-NBHGPNQESA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(F)c1 ZINC000351620706 165104300 /nfs/dbraw/zinc/10/43/00/165104300.db2.gz QSINRYYSIHYDTI-NBHGPNQESA-N 2 2 342.458 3.359 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000353940123 165926748 /nfs/dbraw/zinc/92/67/48/165926748.db2.gz ARJKOLISBAYQGE-FDYSRKEFSA-N 2 2 332.488 3.391 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355220286 166138620 /nfs/dbraw/zinc/13/86/20/166138620.db2.gz KPHFRNJMQWZPJD-OLMNPRSZSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000355220286 166138621 /nfs/dbraw/zinc/13/86/21/166138621.db2.gz KPHFRNJMQWZPJD-OLMNPRSZSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000355220286 166138624 /nfs/dbraw/zinc/13/86/24/166138624.db2.gz KPHFRNJMQWZPJD-OLMNPRSZSA-N 2 2 347.528 3.443 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000355220286 166138626 /nfs/dbraw/zinc/13/86/26/166138626.db2.gz KPHFRNJMQWZPJD-OLMNPRSZSA-N 2 2 347.528 3.443 20 0 EGADLP Oc1cc(F)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355275111 166151373 /nfs/dbraw/zinc/15/13/73/166151373.db2.gz CTSIHYYKWJCOCA-HDICACEKSA-N 2 2 326.415 3.095 20 0 EGADLP Oc1cc(F)cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355275111 166151378 /nfs/dbraw/zinc/15/13/78/166151378.db2.gz CTSIHYYKWJCOCA-HDICACEKSA-N 2 2 326.415 3.095 20 0 EGADLP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000355278071 166152522 /nfs/dbraw/zinc/15/25/22/166152522.db2.gz XSAVOBNIEOXZIB-DZGCQCFKSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000355278071 166152525 /nfs/dbraw/zinc/15/25/25/166152525.db2.gz XSAVOBNIEOXZIB-DZGCQCFKSA-N 2 2 327.457 3.418 20 0 EGADLP CCc1ncc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000355295753 166156161 /nfs/dbraw/zinc/15/61/61/166156161.db2.gz WJNCTDFJXKKAKI-IAGOWNOFSA-N 2 2 327.497 3.269 20 0 EGADLP Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cn2cc[nH+]c12 ZINC000355442505 166200895 /nfs/dbraw/zinc/20/08/95/166200895.db2.gz VIAHGIGTQIXTMC-UHFFFAOYSA-N 2 2 331.379 3.140 20 0 EGADLP CCCCn1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)n1 ZINC000359334170 167129100 /nfs/dbraw/zinc/12/91/00/167129100.db2.gz RNBCEQUYXVOVRO-UHFFFAOYSA-N 2 2 341.503 3.141 20 0 EGADLP COCCCCc1ccc[nH+]c1NCc1ncc(C[NH+](C)C)s1 ZINC000359470922 167165757 /nfs/dbraw/zinc/16/57/57/167165757.db2.gz KCLLRMOAFQDNTD-UHFFFAOYSA-N 2 2 334.489 3.181 20 0 EGADLP Cc1cc(NC(=O)[C@]23CCC[C@H]2C[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245954 167281000 /nfs/dbraw/zinc/28/10/00/167281000.db2.gz RDJYQIIXYRIATF-RXVVDRJESA-N 2 2 335.451 3.053 20 0 EGADLP Cc1cc(NC(=O)[C@]23CCC[C@H]2C[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245954 167281002 /nfs/dbraw/zinc/28/10/02/167281002.db2.gz RDJYQIIXYRIATF-RXVVDRJESA-N 2 2 335.451 3.053 20 0 EGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360559282 167357879 /nfs/dbraw/zinc/35/78/79/167357879.db2.gz AXWJLHXMFHJQGA-KRWDZBQOSA-N 2 2 346.272 3.183 20 0 EGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360559282 167357881 /nfs/dbraw/zinc/35/78/81/167357881.db2.gz AXWJLHXMFHJQGA-KRWDZBQOSA-N 2 2 346.272 3.183 20 0 EGADLP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)nn1 ZINC000365076939 168018808 /nfs/dbraw/zinc/01/88/08/168018808.db2.gz JXZXIWMVQBLIPD-UHFFFAOYSA-N 2 2 333.524 3.167 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000367699230 168259397 /nfs/dbraw/zinc/25/93/97/168259397.db2.gz GSWXARVOQJOJDF-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000367699230 168259398 /nfs/dbraw/zinc/25/93/98/168259398.db2.gz GSWXARVOQJOJDF-AWEZNQCLSA-N 2 2 334.261 3.481 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(OC(F)F)c1 ZINC000367698218 168260059 /nfs/dbraw/zinc/26/00/59/168260059.db2.gz DRUKNSSTYYFZBW-CYBMUJFWSA-N 2 2 337.370 3.020 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(OC(F)F)c1 ZINC000367698218 168260061 /nfs/dbraw/zinc/26/00/61/168260061.db2.gz DRUKNSSTYYFZBW-CYBMUJFWSA-N 2 2 337.370 3.020 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337898 226065383 /nfs/dbraw/zinc/06/53/83/226065383.db2.gz DXYICPSWXBTLDY-WSTZPKSXSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000164337898 226065387 /nfs/dbraw/zinc/06/53/87/226065387.db2.gz DXYICPSWXBTLDY-WSTZPKSXSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000163845720 226022230 /nfs/dbraw/zinc/02/22/30/226022230.db2.gz YQJLANYQHWRRBH-KRWDZBQOSA-N 2 2 335.455 3.479 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3cc(C)no3)CC2)c2ccccc2[nH+]1 ZINC000123273109 222247045 /nfs/dbraw/zinc/24/70/45/222247045.db2.gz FBIMGQHXPLZRGI-UHFFFAOYSA-N 2 2 336.439 3.416 20 0 EGADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)Cn1cc[nH+]c1 ZINC000180147754 265397115 /nfs/dbraw/zinc/39/71/15/265397115.db2.gz GQYAJRFIFQYBLT-MGNMYUMUSA-N 2 2 348.491 3.039 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)CCCc2c(Cl)cccc2Cl)CC1 ZINC000193232646 266018090 /nfs/dbraw/zinc/01/80/90/266018090.db2.gz BRTCOGITVDSHGY-UHFFFAOYSA-N 2 2 345.314 3.315 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)CCCc2c(Cl)cccc2Cl)CC1 ZINC000193232646 266018093 /nfs/dbraw/zinc/01/80/93/266018093.db2.gz BRTCOGITVDSHGY-UHFFFAOYSA-N 2 2 345.314 3.315 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)C[N@@H+]1C1CC1 ZINC000222688830 266195371 /nfs/dbraw/zinc/19/53/71/266195371.db2.gz ZAMUXEMSSHNNIE-MNOVXSKESA-N 2 2 329.307 3.268 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(Br)s2)C[N@H+]1C1CC1 ZINC000222688830 266195376 /nfs/dbraw/zinc/19/53/76/266195376.db2.gz ZAMUXEMSSHNNIE-MNOVXSKESA-N 2 2 329.307 3.268 20 0 EGADLP C[NH2+]C[C@H](C)CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237189021 266226246 /nfs/dbraw/zinc/22/62/46/266226246.db2.gz RTJDQWPVQRWGSM-LBPRGKRZSA-N 2 2 333.819 3.113 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237413596 266233266 /nfs/dbraw/zinc/23/32/66/266233266.db2.gz DEMRFODXKKGSEB-OAHLLOKOSA-N 2 2 349.906 3.064 20 0 EGADLP Cc1nc(NC2CC[NH+](Cc3ccccn3)CC2)c2c([nH+]1)CCCC2 ZINC000272854303 266930908 /nfs/dbraw/zinc/93/09/08/266930908.db2.gz KXOORNMQZUFIGN-UHFFFAOYSA-N 2 2 337.471 3.135 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Br)ccc1F ZINC000273590077 267063388 /nfs/dbraw/zinc/06/33/88/267063388.db2.gz JQEDTBOIHPKBOO-UHFFFAOYSA-N 2 2 338.224 3.339 20 0 EGADLP COc1ccsc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000274414253 267232675 /nfs/dbraw/zinc/23/26/75/267232675.db2.gz FJDWUVOSXZKALL-DZGCQCFKSA-N 2 2 346.500 3.465 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000274812423 267291243 /nfs/dbraw/zinc/29/12/43/267291243.db2.gz DUZDLNGMXGBXQK-AWEZNQCLSA-N 2 2 339.395 3.108 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974819 267313756 /nfs/dbraw/zinc/31/37/56/267313756.db2.gz YLMHNZOONYRMJL-ICSRJNTNSA-N 3 2 338.499 3.384 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974819 267313758 /nfs/dbraw/zinc/31/37/58/267313758.db2.gz YLMHNZOONYRMJL-ICSRJNTNSA-N 3 2 338.499 3.384 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000275337070 267347938 /nfs/dbraw/zinc/34/79/38/267347938.db2.gz WMOYCEFIGFXPLH-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000275337070 267347940 /nfs/dbraw/zinc/34/79/40/267347940.db2.gz WMOYCEFIGFXPLH-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000275337070 267347941 /nfs/dbraw/zinc/34/79/41/267347941.db2.gz WMOYCEFIGFXPLH-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000275337070 267347943 /nfs/dbraw/zinc/34/79/43/267347943.db2.gz WMOYCEFIGFXPLH-WFASDCNBSA-N 2 2 341.293 3.230 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1C(=O)OC(C)(C)C ZINC000278527086 268032473 /nfs/dbraw/zinc/03/24/73/268032473.db2.gz UFEQYOGZINHAEI-GJZGRUSLSA-N 2 2 344.459 3.212 20 0 EGADLP FC(F)(F)c1cc(Br)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000353944034 274906176 /nfs/dbraw/zinc/90/61/76/274906176.db2.gz JEXJNJBJSUKEKN-UHFFFAOYSA-N 2 2 348.166 3.454 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)CC2 ZINC000090913902 275153616 /nfs/dbraw/zinc/15/36/16/275153616.db2.gz TXJROAUXBNHOMW-RZUBCFFCSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CC2 ZINC000090913902 275153618 /nfs/dbraw/zinc/15/36/18/275153618.db2.gz TXJROAUXBNHOMW-RZUBCFFCSA-N 2 2 336.479 3.207 20 0 EGADLP CC(C)C[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000092560708 275154583 /nfs/dbraw/zinc/15/45/83/275154583.db2.gz WIVMFJUMRHNUPS-OFLPRAFFSA-N 2 2 326.525 3.453 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181091256 275205011 /nfs/dbraw/zinc/20/50/11/275205011.db2.gz BUIHJRJISDJBHM-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181091256 275205013 /nfs/dbraw/zinc/20/50/13/275205013.db2.gz BUIHJRJISDJBHM-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP C[N@H+]1CC=C(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000271906087 275240197 /nfs/dbraw/zinc/24/01/97/275240197.db2.gz WRIFTZUFYFZQLU-UHFFFAOYSA-N 3 2 333.907 3.156 20 0 EGADLP C[N@@H+]1CC=C(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000271906087 275240199 /nfs/dbraw/zinc/24/01/99/275240199.db2.gz WRIFTZUFYFZQLU-UHFFFAOYSA-N 3 2 333.907 3.156 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000278669782 275263998 /nfs/dbraw/zinc/26/39/98/275263998.db2.gz LLHXIYWZWJCXDM-UHFFFAOYSA-N 2 2 340.423 3.220 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000278714209 275267933 /nfs/dbraw/zinc/26/79/33/275267933.db2.gz UOWKOXWNTOKXFY-UHFFFAOYSA-N 2 2 343.402 3.011 20 0 EGADLP OCC1(Cc2ccccc2)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000278777559 275273957 /nfs/dbraw/zinc/27/39/57/275273957.db2.gz VIFQCTFGBVFPAR-UHFFFAOYSA-N 2 2 335.451 3.152 20 0 EGADLP CC(C)Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000279434545 275330890 /nfs/dbraw/zinc/33/08/90/275330890.db2.gz OLKQVITWSUOXCF-UHFFFAOYSA-N 2 2 341.503 3.452 20 0 EGADLP Fc1ccccc1CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000279626706 275345174 /nfs/dbraw/zinc/34/51/74/275345174.db2.gz AGIJFMDJDCDQSE-UHFFFAOYSA-N 2 2 327.447 3.408 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000279789817 275359588 /nfs/dbraw/zinc/35/95/88/275359588.db2.gz MELZEHYIDZGLAD-UHFFFAOYSA-N 2 2 346.438 3.225 20 0 EGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279846067 275365296 /nfs/dbraw/zinc/36/52/96/275365296.db2.gz LSDDTWOPSKBQAW-IBGZPJMESA-N 2 2 348.450 3.167 20 0 EGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279846067 275365298 /nfs/dbraw/zinc/36/52/98/275365298.db2.gz LSDDTWOPSKBQAW-IBGZPJMESA-N 2 2 348.450 3.167 20 0 EGADLP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000282557214 275647146 /nfs/dbraw/zinc/64/71/46/275647146.db2.gz DDDUSXAQNVBDRI-INIZCTEOSA-N 3 2 349.950 3.419 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000282839972 275675571 /nfs/dbraw/zinc/67/55/71/275675571.db2.gz SQQVMNLVELZSHT-UHFFFAOYSA-N 2 2 330.863 3.193 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)n(C)n1 ZINC000284223058 275783314 /nfs/dbraw/zinc/78/33/14/275783314.db2.gz HJAPJCHGDWSZAY-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000287464368 276122124 /nfs/dbraw/zinc/12/21/24/276122124.db2.gz IZONAUVKDPPUCF-INIZCTEOSA-N 2 2 330.407 3.262 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000287506226 276126641 /nfs/dbraw/zinc/12/66/41/276126641.db2.gz LXACBOIRAWCHHO-UHFFFAOYSA-N 2 2 339.443 3.132 20 0 EGADLP COc1cc2c(cc1OC)C[N@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000288995425 276276593 /nfs/dbraw/zinc/27/65/93/276276593.db2.gz DMUFUWXVIRWMIT-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP COc1cc2c(cc1OC)C[N@@H+](CCCc1c[nH+]ccc1C)CC2 ZINC000288995425 276276594 /nfs/dbraw/zinc/27/65/94/276276594.db2.gz DMUFUWXVIRWMIT-UHFFFAOYSA-N 2 2 326.440 3.398 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000289280011 276315563 /nfs/dbraw/zinc/31/55/63/276315563.db2.gz QBEMMDHUDATZQI-QGZVFWFLSA-N 2 2 345.487 3.114 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000289280011 276315564 /nfs/dbraw/zinc/31/55/64/276315564.db2.gz QBEMMDHUDATZQI-QGZVFWFLSA-N 2 2 345.487 3.114 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000289350440 276326142 /nfs/dbraw/zinc/32/61/42/276326142.db2.gz XYIVHMOVAKBDRU-IRXDYDNUSA-N 2 2 345.487 3.112 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000289350440 276326143 /nfs/dbraw/zinc/32/61/43/276326143.db2.gz XYIVHMOVAKBDRU-IRXDYDNUSA-N 2 2 345.487 3.112 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000289351786 276326363 /nfs/dbraw/zinc/32/63/63/276326363.db2.gz XMLGCNYBURKUEX-UHFFFAOYSA-N 3 2 327.472 3.053 20 0 EGADLP C[C@@H](O)c1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289403445 276333875 /nfs/dbraw/zinc/33/38/75/276333875.db2.gz SGLFDBWSMGFURK-OAHLLOKOSA-N 2 2 345.512 3.293 20 0 EGADLP C[C@@H](O)c1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289403445 276333876 /nfs/dbraw/zinc/33/38/76/276333876.db2.gz SGLFDBWSMGFURK-OAHLLOKOSA-N 2 2 345.512 3.293 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289459877 276342295 /nfs/dbraw/zinc/34/22/95/276342295.db2.gz GCPPCTPSWGOQKL-SUMWQHHRSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289459877 276342297 /nfs/dbraw/zinc/34/22/97/276342297.db2.gz GCPPCTPSWGOQKL-SUMWQHHRSA-N 2 2 345.512 3.224 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000289768372 276390857 /nfs/dbraw/zinc/39/08/57/276390857.db2.gz PDDFJODVAYROSI-NWDGAFQWSA-N 2 2 340.240 3.394 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1O ZINC000289772160 276391617 /nfs/dbraw/zinc/39/16/17/276391617.db2.gz NMIVACPSRLGLEP-HNNXBMFYSA-N 2 2 337.423 3.496 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000290110267 276448261 /nfs/dbraw/zinc/44/82/61/276448261.db2.gz IQNXKNLOFLZOHY-LJQANCHMSA-N 2 2 336.907 3.445 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185678480 277075696 /nfs/dbraw/zinc/07/56/96/277075696.db2.gz GLKLILFWMKIMIS-FOIQADDNSA-N 2 2 325.456 3.426 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1C ZINC000353933738 277326152 /nfs/dbraw/zinc/32/61/52/277326152.db2.gz QQDTTZWCHKDFQN-GTAWCEEGSA-N 2 2 344.499 3.391 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000130833332 277390673 /nfs/dbraw/zinc/39/06/73/277390673.db2.gz RURBKQCUQZLRCT-DLBZAZTESA-N 2 2 347.507 3.014 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000130833332 277390674 /nfs/dbraw/zinc/39/06/74/277390674.db2.gz RURBKQCUQZLRCT-DLBZAZTESA-N 2 2 347.507 3.014 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477975 278214383 /nfs/dbraw/zinc/21/43/83/278214383.db2.gz IRAULVLDMIFSLL-NWDGAFQWSA-N 2 2 344.286 3.204 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477975 278214385 /nfs/dbraw/zinc/21/43/85/278214385.db2.gz IRAULVLDMIFSLL-NWDGAFQWSA-N 2 2 344.286 3.204 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000183915980 278222681 /nfs/dbraw/zinc/22/26/81/278222681.db2.gz LCBVMOSKRCFZFZ-HOTGVXAUSA-N 2 2 347.503 3.317 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041655 278317699 /nfs/dbraw/zinc/31/76/99/278317699.db2.gz LHNOCKXQKQXBJE-NEPJUHHUSA-N 2 2 340.393 3.151 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041655 278317700 /nfs/dbraw/zinc/31/77/00/278317700.db2.gz LHNOCKXQKQXBJE-NEPJUHHUSA-N 2 2 340.393 3.151 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1nc2ccccc2n1C ZINC000091287548 278335931 /nfs/dbraw/zinc/33/59/31/278335931.db2.gz RNSJMPRBWAHLNX-MRXNPFEDSA-N 2 2 349.482 3.284 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000246293681 278391483 /nfs/dbraw/zinc/39/14/83/278391483.db2.gz XYRVVGOMFUTVAP-BRWVUGGUSA-N 2 2 348.491 3.041 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320828 280335301 /nfs/dbraw/zinc/33/53/01/280335301.db2.gz KNXDLVVXJTXRSG-IWEFOYFVSA-N 2 2 329.444 3.303 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2[nH]c(=O)oc2c1 ZINC000359320828 280335303 /nfs/dbraw/zinc/33/53/03/280335303.db2.gz KNXDLVVXJTXRSG-IWEFOYFVSA-N 2 2 329.444 3.303 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)Nc1cc(N2CCCC2)[nH+]cn1)[NH+](C)C ZINC000357536580 281389842 /nfs/dbraw/zinc/38/98/42/281389842.db2.gz QWAAHVLSTYHGJO-JXFKEZNVSA-N 2 2 339.487 3.489 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCSC3(CCCCC3)C2)s1 ZINC000347859096 289226753 /nfs/dbraw/zinc/22/67/53/289226753.db2.gz QTEUMEWTTSAMQM-UHFFFAOYSA-N 2 2 325.547 3.456 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCSC3(CCCCC3)C2)s1 ZINC000347859096 289226754 /nfs/dbraw/zinc/22/67/54/289226754.db2.gz QTEUMEWTTSAMQM-UHFFFAOYSA-N 2 2 325.547 3.456 20 0 EGADLP CSc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1F ZINC000153190998 307767830 /nfs/dbraw/zinc/76/78/30/307767830.db2.gz BRRHLLFGNMBWJY-KBPBESRZSA-N 2 2 326.481 3.167 20 0 EGADLP OC[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309227 309072074 /nfs/dbraw/zinc/07/20/74/309072074.db2.gz JCQSCNWWUFZTGS-FPOVZHCZSA-N 2 2 342.458 3.156 20 0 EGADLP OC[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309227 309072075 /nfs/dbraw/zinc/07/20/75/309072075.db2.gz JCQSCNWWUFZTGS-FPOVZHCZSA-N 2 2 342.458 3.156 20 0 EGADLP Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414361021 309075205 /nfs/dbraw/zinc/07/52/05/309075205.db2.gz PAOCGMLSAYQLHG-IEBWSBKVSA-N 2 2 342.487 3.274 20 0 EGADLP CSCc1cnc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000293712007 308154943 /nfs/dbraw/zinc/15/49/43/308154943.db2.gz XVQFAQOXAKIKIT-UHFFFAOYSA-N 2 2 330.482 3.482 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CSC[C@H]1C ZINC000294889456 308268240 /nfs/dbraw/zinc/26/82/40/308268240.db2.gz RGGRLGLGYKONGI-PBHICJAKSA-N 2 2 335.517 3.001 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938567 308274002 /nfs/dbraw/zinc/27/40/02/308274002.db2.gz KZJJXDQTGUFRQJ-SUMWQHHRSA-N 2 2 347.846 3.406 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000294938567 308274004 /nfs/dbraw/zinc/27/40/04/308274004.db2.gz KZJJXDQTGUFRQJ-SUMWQHHRSA-N 2 2 347.846 3.406 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588537 308341094 /nfs/dbraw/zinc/34/10/94/308341094.db2.gz DZRCYDHUINBKCQ-KSSFIOAISA-N 2 2 331.410 3.360 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ncc1F ZINC000295588537 308341096 /nfs/dbraw/zinc/34/10/96/308341096.db2.gz DZRCYDHUINBKCQ-KSSFIOAISA-N 2 2 331.410 3.360 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000414661756 309094408 /nfs/dbraw/zinc/09/44/08/309094408.db2.gz XVAMYYLICZNRJU-OAQYLSRUSA-N 2 2 346.478 3.440 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000414661756 309094409 /nfs/dbraw/zinc/09/44/09/309094409.db2.gz XVAMYYLICZNRJU-OAQYLSRUSA-N 2 2 346.478 3.440 20 0 EGADLP CCc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301503235 308702934 /nfs/dbraw/zinc/70/29/34/308702934.db2.gz BRZBEAFUMGTNMQ-IRXDYDNUSA-N 2 2 325.460 3.386 20 0 EGADLP CCc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000301547865 308704719 /nfs/dbraw/zinc/70/47/19/308704719.db2.gz FRXPYSPWQKPXRF-AWEZNQCLSA-N 2 2 327.476 3.489 20 0 EGADLP Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c2cccc(F)c2[nH+]1 ZINC000301638999 308708444 /nfs/dbraw/zinc/70/84/44/308708444.db2.gz ATGXSSCYAVWWSP-OAHLLOKOSA-N 2 2 331.435 3.187 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000414839614 309104779 /nfs/dbraw/zinc/10/47/79/309104779.db2.gz GERDHMOVNHQWBZ-LJQANCHMSA-N 2 2 345.531 3.437 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414838253 309104907 /nfs/dbraw/zinc/10/49/07/309104907.db2.gz LCXMMFLEPWDNQO-MRXNPFEDSA-N 3 2 335.923 3.284 20 0 EGADLP C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)C[NH+]1CCCCC1 ZINC000301839606 308717790 /nfs/dbraw/zinc/71/77/90/308717790.db2.gz OHZZESWEHQSEAD-CQSZACIVSA-N 2 2 330.480 3.115 20 0 EGADLP COc1cccc2c(NC[C@@H](O)C[NH+]3CCC(C)CC3)c(C)c[nH+]c12 ZINC000302670911 308741641 /nfs/dbraw/zinc/74/16/41/308741641.db2.gz RMBAASIRXAXLDV-MRXNPFEDSA-N 2 2 343.471 3.057 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414933122 309110017 /nfs/dbraw/zinc/11/00/17/309110017.db2.gz ANCNALSAWYQJQU-JOYOIKCWSA-N 2 2 349.219 3.281 20 0 EGADLP [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000333714086 308866509 /nfs/dbraw/zinc/86/65/09/308866509.db2.gz STGLRDZEHQMEHW-ZWKOTPCHSA-N 2 2 329.419 3.097 20 0 EGADLP Cc1ccc([C@H](CNc2cc(NC3CC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000413114103 309016787 /nfs/dbraw/zinc/01/67/87/309016787.db2.gz SNVQIDGCOYYCRB-HNNXBMFYSA-N 2 2 327.432 3.201 20 0 EGADLP [NH3+]C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000414850016 309105485 /nfs/dbraw/zinc/10/54/85/309105485.db2.gz YTBNMEWSAFTJBO-UHFFFAOYSA-N 3 2 333.495 3.084 20 0 EGADLP O=C(Nc1cccc(C[NH2+]C[C@H]2CCC[NH2+]2)c1)c1ccc(Cl)cc1 ZINC000414850506 309105563 /nfs/dbraw/zinc/10/55/63/309105563.db2.gz SJRQRPGPNQKJFI-GOSISDBHSA-N 2 2 343.858 3.434 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414892697 309107820 /nfs/dbraw/zinc/10/78/20/309107820.db2.gz YBLOXSZSOCGNIN-OAQYLSRUSA-N 2 2 346.478 3.358 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895062 309107922 /nfs/dbraw/zinc/10/79/22/309107922.db2.gz VPAKWIFGWXXWLV-GOSISDBHSA-N 2 2 326.488 3.056 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414927078 309109574 /nfs/dbraw/zinc/10/95/74/309109574.db2.gz KXGOUJAZWZZGCE-QGZVFWFLSA-N 2 2 334.467 3.344 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CCC[NH2+]1 ZINC000414947425 309110742 /nfs/dbraw/zinc/11/07/42/309110742.db2.gz VBTZGBGCZZQTIL-SFHVURJKSA-N 2 2 334.460 3.412 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000414953217 309111161 /nfs/dbraw/zinc/11/11/61/309111161.db2.gz JIJLIPVLMWIRNM-OAHLLOKOSA-N 2 2 344.503 3.401 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000414973652 309112328 /nfs/dbraw/zinc/11/23/28/309112328.db2.gz ZXUDUHDZRQPAQN-OAHLLOKOSA-N 2 2 335.904 3.062 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000415009516 309114143 /nfs/dbraw/zinc/11/41/43/309114143.db2.gz UELZDALNERNUBL-SJLPKXTDSA-N 3 2 335.923 3.412 20 0 EGADLP c1cncc(C[NH+]2CCC([NH2+]Cc3cccc4c3CCCN4)CC2)c1 ZINC000415030699 309115275 /nfs/dbraw/zinc/11/52/75/309115275.db2.gz GSVSSORROSNJST-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c2c(c1)NCCC2 ZINC000415038532 309115790 /nfs/dbraw/zinc/11/57/90/309115790.db2.gz POHXQWNLSAXBHW-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)sc2c1 ZINC000415039506 309115867 /nfs/dbraw/zinc/11/58/67/309115867.db2.gz IZHURWYHGSCZRN-CJNGLKHVSA-N 2 2 331.485 3.269 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)sc2c1 ZINC000415039506 309115868 /nfs/dbraw/zinc/11/58/68/309115868.db2.gz IZHURWYHGSCZRN-CJNGLKHVSA-N 2 2 331.485 3.269 20 0 EGADLP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415060827 309117588 /nfs/dbraw/zinc/11/75/88/309117588.db2.gz YXSZQVAVVVJMQR-DLBZAZTESA-N 2 2 336.357 3.430 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000415069397 309118074 /nfs/dbraw/zinc/11/80/74/309118074.db2.gz SLSCUVONIHUAML-HXUWFJFHSA-N 2 2 338.430 3.363 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000415072049 309118277 /nfs/dbraw/zinc/11/82/77/309118277.db2.gz XMKKPMNZACCEGC-LJQANCHMSA-N 2 2 337.471 3.364 20 0 EGADLP C[N@@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C[C@@H](O)C[NH3+] ZINC000415072280 309118301 /nfs/dbraw/zinc/11/83/01/309118301.db2.gz WABSUHOWMASGON-AWEZNQCLSA-N 2 2 338.810 3.023 20 0 EGADLP C[N@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C[C@@H](O)C[NH3+] ZINC000415072280 309118302 /nfs/dbraw/zinc/11/83/02/309118302.db2.gz WABSUHOWMASGON-AWEZNQCLSA-N 2 2 338.810 3.023 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000415127467 309122367 /nfs/dbraw/zinc/12/23/67/309122367.db2.gz IEISRSVDDIKTOF-GGPKGHCWSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@@H](C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415138389 309123225 /nfs/dbraw/zinc/12/32/25/309123225.db2.gz VAXUYRYVPKGYMU-IBGZPJMESA-N 3 2 337.511 3.373 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000415292935 309130097 /nfs/dbraw/zinc/13/00/97/309130097.db2.gz KUZHIELVFNHORB-QGZVFWFLSA-N 2 2 341.459 3.209 20 0 EGADLP Cc1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420298273 309280331 /nfs/dbraw/zinc/28/03/31/309280331.db2.gz ZUUNBKPMBDMMQX-GOSISDBHSA-N 2 2 330.863 3.322 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000420313200 309281186 /nfs/dbraw/zinc/28/11/86/309281186.db2.gz XSCDSGJWCMOMNQ-HNNXBMFYSA-N 2 2 341.480 3.479 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000420313200 309281187 /nfs/dbraw/zinc/28/11/87/309281187.db2.gz XSCDSGJWCMOMNQ-HNNXBMFYSA-N 2 2 341.480 3.479 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)cc1OC ZINC000420315917 309281415 /nfs/dbraw/zinc/28/14/15/309281415.db2.gz LUTLIESAEPEZFX-SFHVURJKSA-N 2 2 349.500 3.290 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000420354354 309283824 /nfs/dbraw/zinc/28/38/24/309283824.db2.gz CYRVQUBDOJAWFL-INIZCTEOSA-N 2 2 337.895 3.393 20 0 EGADLP CN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)[C@H]1CCCc2ccccc21 ZINC000420365051 309284378 /nfs/dbraw/zinc/28/43/78/309284378.db2.gz RSKVPCLVWACIER-UXHICEINSA-N 2 2 343.515 3.020 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1 ZINC000420371755 309284933 /nfs/dbraw/zinc/28/49/33/309284933.db2.gz DNQORMMCLURRAC-PBHICJAKSA-N 2 2 328.460 3.277 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1 ZINC000420371755 309284934 /nfs/dbraw/zinc/28/49/34/309284934.db2.gz DNQORMMCLURRAC-PBHICJAKSA-N 2 2 328.460 3.277 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c(Cl)c1 ZINC000420375168 309284985 /nfs/dbraw/zinc/28/49/85/309284985.db2.gz STESJGQNATVALC-ZGMNHVEMSA-N 2 2 337.895 3.260 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000420377678 309285284 /nfs/dbraw/zinc/28/52/84/309285284.db2.gz WIVMMWKZSLKIIA-GUXCAODWSA-N 2 2 325.456 3.137 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420382829 309285580 /nfs/dbraw/zinc/28/55/80/309285580.db2.gz DHMUURMBQRMDKZ-LPHOPBHVSA-N 2 2 343.515 3.387 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420382829 309285581 /nfs/dbraw/zinc/28/55/81/309285581.db2.gz DHMUURMBQRMDKZ-LPHOPBHVSA-N 2 2 343.515 3.387 20 0 EGADLP CC(C)[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCS1 ZINC000420903590 309300078 /nfs/dbraw/zinc/30/00/78/309300078.db2.gz AZRVXNGDVJHIHR-IBGZPJMESA-N 2 2 334.529 3.092 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCS1 ZINC000420903590 309300079 /nfs/dbraw/zinc/30/00/79/309300079.db2.gz AZRVXNGDVJHIHR-IBGZPJMESA-N 2 2 334.529 3.092 20 0 EGADLP C[N@H+](Cc1cccc(F)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420907228 309300464 /nfs/dbraw/zinc/30/04/64/309300464.db2.gz UXUWEVHKFSLGNI-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420907228 309300465 /nfs/dbraw/zinc/30/04/65/309300465.db2.gz UXUWEVHKFSLGNI-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[C@@H]1C ZINC000420921369 309301149 /nfs/dbraw/zinc/30/11/49/309301149.db2.gz LGRLHMNQUVVZPY-GHTZIAJQSA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[C@@H]1C ZINC000420921369 309301150 /nfs/dbraw/zinc/30/11/50/309301150.db2.gz LGRLHMNQUVVZPY-GHTZIAJQSA-N 2 2 346.515 3.156 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(C)noc1C ZINC000420929814 309302049 /nfs/dbraw/zinc/30/20/49/309302049.db2.gz DSOSPPCTMLZLFZ-IBGZPJMESA-N 2 2 343.471 3.365 20 0 EGADLP CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932499 309302064 /nfs/dbraw/zinc/30/20/64/309302064.db2.gz HIBBNXLONSUXMK-OAQYLSRUSA-N 2 2 339.483 3.497 20 0 EGADLP CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932499 309302065 /nfs/dbraw/zinc/30/20/65/309302065.db2.gz HIBBNXLONSUXMK-OAQYLSRUSA-N 2 2 339.483 3.497 20 0 EGADLP C[C@@H]1Cc2[nH+]cn(Cc3ccc(C[NH+]4CCOCC4)cc3)c2C[C@H]1C ZINC000420970848 309304979 /nfs/dbraw/zinc/30/49/79/309304979.db2.gz JISQTPPWEKMGEZ-IAGOWNOFSA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000421576025 309330405 /nfs/dbraw/zinc/33/04/05/309330405.db2.gz LKHRZFGNHRBHTG-IBGZPJMESA-N 2 2 341.430 3.118 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000421576025 309330406 /nfs/dbraw/zinc/33/04/06/309330406.db2.gz LKHRZFGNHRBHTG-IBGZPJMESA-N 2 2 341.430 3.118 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccncc1Cl ZINC000421823037 309341666 /nfs/dbraw/zinc/34/16/66/309341666.db2.gz YNYKSIAPDSQNIQ-AWEZNQCLSA-N 2 2 330.863 3.445 20 0 EGADLP COC1([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCCC1 ZINC000421832353 309342232 /nfs/dbraw/zinc/34/22/32/309342232.db2.gz GSRYGCQIIHRESY-INIZCTEOSA-N 2 2 346.519 3.372 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421847651 309343190 /nfs/dbraw/zinc/34/31/90/309343190.db2.gz XYHVMGFYWLMWID-DNVCBOLYSA-N 2 2 338.467 3.232 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423266916 309393235 /nfs/dbraw/zinc/39/32/35/309393235.db2.gz DYIDBFBCFAGXPI-ZIAGYGMSSA-N 2 2 327.266 3.236 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1OC ZINC000422700159 309363822 /nfs/dbraw/zinc/36/38/22/309363822.db2.gz BOKHWCYKBGMHDO-ZWKOTPCHSA-N 2 2 326.440 3.287 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1OC ZINC000422700158 309363918 /nfs/dbraw/zinc/36/39/18/309363918.db2.gz BOKHWCYKBGMHDO-ROUUACIJSA-N 2 2 326.440 3.287 20 0 EGADLP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422721201 309364771 /nfs/dbraw/zinc/36/47/71/309364771.db2.gz NPWNYCKPBNOTKB-KUHUBIRLSA-N 2 2 337.458 3.049 20 0 EGADLP C[C@@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422721201 309364772 /nfs/dbraw/zinc/36/47/72/309364772.db2.gz NPWNYCKPBNOTKB-KUHUBIRLSA-N 2 2 337.458 3.049 20 0 EGADLP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422758249 309366802 /nfs/dbraw/zinc/36/68/02/309366802.db2.gz IOIUSCGIKJIDRX-ONCXSQPRSA-N 3 2 347.547 3.238 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)oc21 ZINC000422790370 309368377 /nfs/dbraw/zinc/36/83/77/309368377.db2.gz TYCIRVRSFCTGDM-YCPHGPKFSA-N 2 2 332.444 3.249 20 0 EGADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000422802637 309369241 /nfs/dbraw/zinc/36/92/41/309369241.db2.gz HSHFADSPJCKVAL-HKUYNNGSSA-N 2 2 326.440 3.287 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422805084 309369343 /nfs/dbraw/zinc/36/93/43/309369343.db2.gz GEYIVGHEKSTPQM-BBRMVZONSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1)[C@H]1CCC[NH2+]1 ZINC000422827483 309370589 /nfs/dbraw/zinc/37/05/89/309370589.db2.gz NAPIHGHILBDIKO-QFBILLFUSA-N 2 2 334.467 3.315 20 0 EGADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422838600 309371228 /nfs/dbraw/zinc/37/12/28/309371228.db2.gz XRNWFWGUGMLIIW-XUVXKRRUSA-N 2 2 338.499 3.136 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422879173 309373618 /nfs/dbraw/zinc/37/36/18/309373618.db2.gz UWRFQUWNOGMALH-JSGCOSHPSA-N 2 2 328.403 3.307 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921952 309376293 /nfs/dbraw/zinc/37/62/93/309376293.db2.gz RHYMYRUKEUZEEC-WBMJQRKESA-N 2 2 338.373 3.475 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422938939 309377202 /nfs/dbraw/zinc/37/72/02/309377202.db2.gz FDWQPLGCCQIUFF-RISCZKNCSA-N 2 2 327.266 3.078 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCC[NH2+]1 ZINC000422947768 309377511 /nfs/dbraw/zinc/37/75/11/309377511.db2.gz YVMXENWCIWIUJJ-LPHOPBHVSA-N 2 2 334.467 3.315 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000422970844 309379041 /nfs/dbraw/zinc/37/90/41/309379041.db2.gz HCPJZPKKEQJRHQ-UZLBHIALSA-N 2 2 339.483 3.451 20 0 EGADLP CCCCCn1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(C)n1 ZINC000423024844 309381548 /nfs/dbraw/zinc/38/15/48/309381548.db2.gz MUWYKAAZMKKMRJ-OXQOHEQNSA-N 2 2 328.504 3.430 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423033203 309382019 /nfs/dbraw/zinc/38/20/19/309382019.db2.gz ZEADPOYNSGOWMB-IFIJOSMWSA-N 3 2 327.875 3.189 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423033203 309382020 /nfs/dbraw/zinc/38/20/20/309382020.db2.gz ZEADPOYNSGOWMB-IFIJOSMWSA-N 3 2 327.875 3.189 20 0 EGADLP C[C@H]([NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2)C1C[NH2+]C1 ZINC000423053501 309383189 /nfs/dbraw/zinc/38/31/89/309383189.db2.gz SQFLXGRRVRMCKL-DZGCQCFKSA-N 2 2 327.497 3.113 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423088858 309385332 /nfs/dbraw/zinc/38/53/32/309385332.db2.gz RAFKJHDSMBKBMP-DZKIICNBSA-N 2 2 330.394 3.345 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC000423089362 309385465 /nfs/dbraw/zinc/38/54/65/309385465.db2.gz UXSHHIHDKRGDAO-MRVPVSSYSA-N 2 2 327.325 3.256 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423099123 309385863 /nfs/dbraw/zinc/38/58/63/309385863.db2.gz DWZCOUDARAIBCJ-JXFKEZNVSA-N 2 2 341.474 3.474 20 0 EGADLP Fc1cc(F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000423134344 309387607 /nfs/dbraw/zinc/38/76/07/309387607.db2.gz LZMSNEAKYJWZOL-PKOBYXMFSA-N 2 2 348.368 3.449 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144360 309388143 /nfs/dbraw/zinc/38/81/43/309388143.db2.gz YRWXSXBGWPIFPE-HBMCJLEFSA-N 3 2 329.532 3.409 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144360 309388144 /nfs/dbraw/zinc/38/81/44/309388144.db2.gz YRWXSXBGWPIFPE-HBMCJLEFSA-N 3 2 329.532 3.409 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188644 309389768 /nfs/dbraw/zinc/38/97/68/309389768.db2.gz LYAGSXOMFZMMHI-BQJUDKOJSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423188644 309389769 /nfs/dbraw/zinc/38/97/69/309389769.db2.gz LYAGSXOMFZMMHI-BQJUDKOJSA-N 3 2 327.516 3.019 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423231151 309391673 /nfs/dbraw/zinc/39/16/73/309391673.db2.gz FUQYATIPVZWVGM-IINYFYTJSA-N 2 2 329.669 3.431 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423238784 309391896 /nfs/dbraw/zinc/39/18/96/309391896.db2.gz JLASVFRKVDGVNZ-BEFAXECRSA-N 2 2 327.472 3.434 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)C12CCOCC2 ZINC000423251861 309392435 /nfs/dbraw/zinc/39/24/35/309392435.db2.gz WTDJBXMNIWQAFY-VAMGGRTRSA-N 2 2 346.515 3.374 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423270482 309393371 /nfs/dbraw/zinc/39/33/71/309393371.db2.gz WWTSKBXUQHNBHA-ACJLOTCBSA-N 2 2 333.476 3.212 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000423338407 309395917 /nfs/dbraw/zinc/39/59/17/309395917.db2.gz RMODTDOFXLDYLH-INIZCTEOSA-N 2 2 341.293 3.042 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423397234 309398649 /nfs/dbraw/zinc/39/86/49/309398649.db2.gz UMBPRCMOUJBZSX-KBXCAEBGSA-N 2 2 344.503 3.399 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423417356 309399409 /nfs/dbraw/zinc/39/94/09/309399409.db2.gz GXKMPXRRIQJBBV-NVXWUHKLSA-N 2 2 326.868 3.158 20 0 EGADLP Cn1c2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2[nH+]c1C(C)(C)C ZINC000423812588 309414248 /nfs/dbraw/zinc/41/42/48/309414248.db2.gz PCAMPDJJYWPMKW-CYBMUJFWSA-N 2 2 328.460 3.199 20 0 EGADLP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424287664 309436691 /nfs/dbraw/zinc/43/66/91/309436691.db2.gz JLTZCSDUZXHNQL-ZDUSSCGKSA-N 2 2 343.475 3.170 20 0 EGADLP CCN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc2ccccc21 ZINC000424329527 309439186 /nfs/dbraw/zinc/43/91/86/309439186.db2.gz GTOMEBCXMNCIPO-QZTJIDSGSA-N 2 2 325.456 3.052 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000427894663 309537821 /nfs/dbraw/zinc/53/78/21/309537821.db2.gz RBAYXDXJGHITSM-DGCLKSJQSA-N 2 2 325.334 3.447 20 0 EGADLP Fc1ccc(-c2cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)on2)cc1 ZINC000430556703 309610707 /nfs/dbraw/zinc/61/07/07/309610707.db2.gz ZJQGUDYWCBVDOM-UHFFFAOYSA-N 2 2 329.419 3.445 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000430579963 309611672 /nfs/dbraw/zinc/61/16/72/309611672.db2.gz CZRWPERZGUNSSN-CQSZACIVSA-N 2 2 349.784 3.014 20 0 EGADLP Cc1ccc([C@H](CNc2[nH+]c3ccc(F)cc3n2C)[NH+]2CCCC2)o1 ZINC000431428946 309632839 /nfs/dbraw/zinc/63/28/39/309632839.db2.gz HKWYMXCMUHNSLN-KRWDZBQOSA-N 2 2 342.418 3.285 20 0 EGADLP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000433154922 309680205 /nfs/dbraw/zinc/68/02/05/309680205.db2.gz VOUJDAUFRITVCB-QGZVFWFLSA-N 2 2 326.444 3.056 20 0 EGADLP Cn1c(N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[nH+]c2cccc(F)c21 ZINC000443512777 309902430 /nfs/dbraw/zinc/90/24/30/309902430.db2.gz XDGQNSAJRJGGJU-GFCCVEGCSA-N 2 2 341.434 3.055 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc2ccccc21 ZINC000449028581 310030881 /nfs/dbraw/zinc/03/08/81/310030881.db2.gz LUOAQQCPJVUUPJ-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc2ccccc21 ZINC000449028581 310030882 /nfs/dbraw/zinc/03/08/82/310030882.db2.gz LUOAQQCPJVUUPJ-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039237 310032195 /nfs/dbraw/zinc/03/21/95/310032195.db2.gz YQMNBCOHZZHIKJ-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039237 310032196 /nfs/dbraw/zinc/03/21/96/310032196.db2.gz YQMNBCOHZZHIKJ-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039237 310032197 /nfs/dbraw/zinc/03/21/97/310032197.db2.gz YQMNBCOHZZHIKJ-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449039237 310032198 /nfs/dbraw/zinc/03/21/98/310032198.db2.gz YQMNBCOHZZHIKJ-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CC(C)[C@H](C[NH2+]Cc1ccncc1F)[N@@H+]1CCc2ccccc2C1 ZINC000449069384 310034470 /nfs/dbraw/zinc/03/44/70/310034470.db2.gz GELSSRFQOLNHOT-FQEVSTJZSA-N 2 2 327.447 3.393 20 0 EGADLP CC(C)[C@H](C[NH2+]Cc1ccncc1F)[N@H+]1CCc2ccccc2C1 ZINC000449069384 310034471 /nfs/dbraw/zinc/03/44/71/310034471.db2.gz GELSSRFQOLNHOT-FQEVSTJZSA-N 2 2 327.447 3.393 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449113175 310038015 /nfs/dbraw/zinc/03/80/15/310038015.db2.gz VNLMRXOKNGHYPK-UHFFFAOYSA-N 2 2 334.504 3.312 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000449323935 310053553 /nfs/dbraw/zinc/05/35/53/310053553.db2.gz BWJIGUFQINVAFP-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(Br)c2F)C1 ZINC000449323935 310053554 /nfs/dbraw/zinc/05/35/54/310053554.db2.gz BWJIGUFQINVAFP-LBPRGKRZSA-N 2 2 338.224 3.311 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334442 310054349 /nfs/dbraw/zinc/05/43/49/310054349.db2.gz XJRGUTOXHXJMFY-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334442 310054350 /nfs/dbraw/zinc/05/43/50/310054350.db2.gz XJRGUTOXHXJMFY-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334442 310054351 /nfs/dbraw/zinc/05/43/51/310054351.db2.gz XJRGUTOXHXJMFY-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334442 310054352 /nfs/dbraw/zinc/05/43/52/310054352.db2.gz XJRGUTOXHXJMFY-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000449475944 310065280 /nfs/dbraw/zinc/06/52/80/310065280.db2.gz FZFQEEUZDLUILS-LBPRGKRZSA-N 2 2 329.835 3.418 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449480881 310065536 /nfs/dbraw/zinc/06/55/36/310065536.db2.gz PNXOQTSLHQJUHD-YZGWKJHDSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449480881 310065537 /nfs/dbraw/zinc/06/55/37/310065537.db2.gz PNXOQTSLHQJUHD-YZGWKJHDSA-N 2 2 328.500 3.446 20 0 EGADLP CCO[C@H]1CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@@H]1C ZINC000449496715 310066908 /nfs/dbraw/zinc/06/69/08/310066908.db2.gz JHBCZIKASCGWJY-HOCLYGCPSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@H]1CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C[C@@H]1C ZINC000449496715 310066909 /nfs/dbraw/zinc/06/69/09/310066909.db2.gz JHBCZIKASCGWJY-HOCLYGCPSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@H]1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C[C@@H]1C ZINC000449496715 310066910 /nfs/dbraw/zinc/06/69/10/310066910.db2.gz JHBCZIKASCGWJY-HOCLYGCPSA-N 2 2 337.533 3.157 20 0 EGADLP CCO[C@H]1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C[C@@H]1C ZINC000449496715 310066911 /nfs/dbraw/zinc/06/69/11/310066911.db2.gz JHBCZIKASCGWJY-HOCLYGCPSA-N 2 2 337.533 3.157 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)n1-c1ccccc1 ZINC000449514937 310068454 /nfs/dbraw/zinc/06/84/54/310068454.db2.gz ZCNJDTNCOVTEIP-PMACEKPBSA-N 2 2 325.456 3.067 20 0 EGADLP COC(=O)[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1c1ccccc1 ZINC000449757420 310084820 /nfs/dbraw/zinc/08/48/20/310084820.db2.gz RNOQBAQRMBKXEV-VQTJNVASSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1c1ccccc1 ZINC000449757420 310084821 /nfs/dbraw/zinc/08/48/21/310084821.db2.gz RNOQBAQRMBKXEV-VQTJNVASSA-N 2 2 338.451 3.211 20 0 EGADLP C[C@@H](c1csnn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450651753 310135328 /nfs/dbraw/zinc/13/53/28/310135328.db2.gz LXFMNZDWBMBISS-AWEZNQCLSA-N 2 2 331.489 3.233 20 0 EGADLP C[C@@H](c1csnn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450651753 310135329 /nfs/dbraw/zinc/13/53/29/310135329.db2.gz LXFMNZDWBMBISS-AWEZNQCLSA-N 2 2 331.489 3.233 20 0 EGADLP Fc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451014261 310155489 /nfs/dbraw/zinc/15/54/89/310155489.db2.gz CJZWNONAQKOPFA-KRWDZBQOSA-N 2 2 341.430 3.474 20 0 EGADLP Fc1ccccc1C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451014261 310155490 /nfs/dbraw/zinc/15/54/90/310155490.db2.gz CJZWNONAQKOPFA-KRWDZBQOSA-N 2 2 341.430 3.474 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418221 310177258 /nfs/dbraw/zinc/17/72/58/310177258.db2.gz IXGZNBBGKYLHNG-AQNXPRMDSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418221 310177259 /nfs/dbraw/zinc/17/72/59/310177259.db2.gz IXGZNBBGKYLHNG-AQNXPRMDSA-N 2 2 325.456 3.306 20 0 EGADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776554 310196750 /nfs/dbraw/zinc/19/67/50/310196750.db2.gz AOPWWNYMRDHHOY-VQTJNVASSA-N 2 2 348.531 3.006 20 0 EGADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776554 310196751 /nfs/dbraw/zinc/19/67/51/310196751.db2.gz AOPWWNYMRDHHOY-VQTJNVASSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776554 310196752 /nfs/dbraw/zinc/19/67/52/310196752.db2.gz AOPWWNYMRDHHOY-VQTJNVASSA-N 2 2 348.531 3.006 20 0 EGADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H](CO)CC(C)(C)C ZINC000451776554 310196753 /nfs/dbraw/zinc/19/67/53/310196753.db2.gz AOPWWNYMRDHHOY-VQTJNVASSA-N 2 2 348.531 3.006 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000452336833 310223988 /nfs/dbraw/zinc/22/39/88/310223988.db2.gz WYFWCCDRRGEKJN-UHFFFAOYSA-N 2 2 326.444 3.314 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453227088 310265252 /nfs/dbraw/zinc/26/52/52/310265252.db2.gz AORWNDSAMXCPHI-FOIQADDNSA-N 2 2 339.414 3.266 20 0 EGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000453236214 310265884 /nfs/dbraw/zinc/26/58/84/310265884.db2.gz MTSCKSMXIXWBEE-MRXNPFEDSA-N 2 2 341.846 3.426 20 0 EGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453270201 310268178 /nfs/dbraw/zinc/26/81/78/310268178.db2.gz SBTIPHRLZPQYLU-PKOBYXMFSA-N 2 2 336.545 3.240 20 0 EGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453270201 310268179 /nfs/dbraw/zinc/26/81/79/310268179.db2.gz SBTIPHRLZPQYLU-PKOBYXMFSA-N 2 2 336.545 3.240 20 0 EGADLP Cc1cc(Br)c(C[NH2+][C@H](C)CC[NH+]2CCOCC2)s1 ZINC000453576021 310282408 /nfs/dbraw/zinc/28/24/08/310282408.db2.gz UMHDDHSHJLLDDU-LLVKDONJSA-N 2 2 347.322 3.019 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c[nH+]1 ZINC000454266426 310300398 /nfs/dbraw/zinc/30/03/98/310300398.db2.gz NHZWBYJFGLFWFN-IBGZPJMESA-N 2 2 346.519 3.254 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3cn4ccccc4[nH+]3)ccc21 ZINC000456284870 310396553 /nfs/dbraw/zinc/39/65/53/310396553.db2.gz ULFJOBUBVDLXCS-GOSISDBHSA-N 2 2 334.423 3.064 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000459420378 310551417 /nfs/dbraw/zinc/55/14/17/310551417.db2.gz BEWLEMUYRXQIEE-AWEZNQCLSA-N 2 2 340.870 3.378 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)c1 ZINC000459441002 310553018 /nfs/dbraw/zinc/55/30/18/310553018.db2.gz KERWSHDVXKKROR-ZWKOTPCHSA-N 2 2 340.870 3.255 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000459716529 310570342 /nfs/dbraw/zinc/57/03/42/310570342.db2.gz WHJCRIQAICAAEJ-DOTOQJQBSA-N 2 2 332.469 3.247 20 0 EGADLP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000462357028 310598834 /nfs/dbraw/zinc/59/88/34/310598834.db2.gz GVUAQDNRNLHRLC-QUCCMNQESA-N 2 2 346.515 3.456 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1I ZINC000481948833 310924132 /nfs/dbraw/zinc/92/41/32/310924132.db2.gz BPQUWIIRMYQXHV-NWDGAFQWSA-N 2 2 346.256 3.282 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000482156243 310927382 /nfs/dbraw/zinc/92/73/82/310927382.db2.gz KLZHRKFVHXUOHJ-RDJZCZTQSA-N 2 2 336.476 3.365 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000486953987 311003622 /nfs/dbraw/zinc/00/36/22/311003622.db2.gz HIBBUFFWLHDTAB-GJZGRUSLSA-N 2 2 340.895 3.328 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339961 311361926 /nfs/dbraw/zinc/36/19/26/311361926.db2.gz YEGNZAMQPUKULV-PBHICJAKSA-N 2 2 333.476 3.116 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000493339961 311361928 /nfs/dbraw/zinc/36/19/28/311361928.db2.gz YEGNZAMQPUKULV-PBHICJAKSA-N 2 2 333.476 3.116 20 0 EGADLP Fc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OCC(F)(F)F ZINC000494393250 311474711 /nfs/dbraw/zinc/47/47/11/311474711.db2.gz RDSPFMKJZCPJIC-LBPRGKRZSA-N 2 2 343.324 3.068 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)c[nH+]c12 ZINC000496014489 311647846 /nfs/dbraw/zinc/64/78/46/311647846.db2.gz LMKBCLBXWDFCIL-OAHLLOKOSA-N 2 2 346.475 3.426 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508828447 312103461 /nfs/dbraw/zinc/10/34/61/312103461.db2.gz ONONVJOCSXBGOD-GOSISDBHSA-N 2 2 327.472 3.429 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508828447 312103462 /nfs/dbraw/zinc/10/34/62/312103462.db2.gz ONONVJOCSXBGOD-GOSISDBHSA-N 2 2 327.472 3.429 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508828447 312103463 /nfs/dbraw/zinc/10/34/63/312103463.db2.gz ONONVJOCSXBGOD-GOSISDBHSA-N 2 2 327.472 3.429 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508828447 312103465 /nfs/dbraw/zinc/10/34/65/312103465.db2.gz ONONVJOCSXBGOD-GOSISDBHSA-N 2 2 327.472 3.429 20 0 EGADLP CC(C)[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000509685606 312123362 /nfs/dbraw/zinc/12/33/62/312123362.db2.gz CUAKSURSOGXJFP-HXUWFJFHSA-N 2 2 347.572 3.272 20 0 EGADLP CC(C)[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCS1 ZINC000509685606 312123364 /nfs/dbraw/zinc/12/33/64/312123364.db2.gz CUAKSURSOGXJFP-HXUWFJFHSA-N 2 2 347.572 3.272 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512682160 312192161 /nfs/dbraw/zinc/19/21/61/312192161.db2.gz DLCJJBDSMFFCIW-FQEVSTJZSA-N 2 2 344.547 3.352 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000512682160 312192163 /nfs/dbraw/zinc/19/21/63/312192163.db2.gz DLCJJBDSMFFCIW-FQEVSTJZSA-N 2 2 344.547 3.352 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000513430264 312210043 /nfs/dbraw/zinc/21/00/43/312210043.db2.gz OSLBAJVCGZVMGG-HXUWFJFHSA-N 2 2 346.515 3.410 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000513430264 312210044 /nfs/dbraw/zinc/21/00/44/312210044.db2.gz OSLBAJVCGZVMGG-HXUWFJFHSA-N 2 2 346.515 3.410 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000514795362 312246108 /nfs/dbraw/zinc/24/61/08/312246108.db2.gz KWGOBYSGTFTKON-JKSUJKDBSA-N 2 2 330.394 3.059 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000514795362 312246111 /nfs/dbraw/zinc/24/61/11/312246111.db2.gz KWGOBYSGTFTKON-JKSUJKDBSA-N 2 2 330.394 3.059 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000514938712 312254932 /nfs/dbraw/zinc/25/49/32/312254932.db2.gz LUCVGPRCPNXXQJ-RBUKOAKNSA-N 2 2 333.435 3.170 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000514938712 312254934 /nfs/dbraw/zinc/25/49/34/312254934.db2.gz LUCVGPRCPNXXQJ-RBUKOAKNSA-N 2 2 333.435 3.170 20 0 EGADLP CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000515188012 312270309 /nfs/dbraw/zinc/27/03/09/312270309.db2.gz JQBRHBNZYUDWEZ-ZIAGYGMSSA-N 2 2 343.393 3.335 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(-c2ccccc2)s1 ZINC000516562084 312329624 /nfs/dbraw/zinc/32/96/24/312329624.db2.gz LUQQGNBOJFHRSY-ZBFHGGJFSA-N 2 2 345.512 3.434 20 0 EGADLP Cc1ccc(-n2cnc3c2CC[N@H+](CCc2cc[nH+]cc2C)C3)cc1 ZINC000516924547 312351063 /nfs/dbraw/zinc/35/10/63/312351063.db2.gz OZBXURYUQBOOIH-UHFFFAOYSA-N 2 2 332.451 3.485 20 0 EGADLP Cc1ccc(-n2cnc3c2CC[N@@H+](CCc2cc[nH+]cc2C)C3)cc1 ZINC000516924547 312351066 /nfs/dbraw/zinc/35/10/66/312351066.db2.gz OZBXURYUQBOOIH-UHFFFAOYSA-N 2 2 332.451 3.485 20 0 EGADLP Cc1csc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000520568955 312511538 /nfs/dbraw/zinc/51/15/38/312511538.db2.gz NUCHADXIDTYQCS-OAHLLOKOSA-N 2 2 329.469 3.174 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc(F)cn2)CC1 ZINC000529551762 313352755 /nfs/dbraw/zinc/35/27/55/313352755.db2.gz GUMVTZOKZXVHLE-IBGZPJMESA-N 2 2 328.435 3.102 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](Cc2ccc(F)cn2)CC1 ZINC000529551762 313352757 /nfs/dbraw/zinc/35/27/57/313352757.db2.gz GUMVTZOKZXVHLE-IBGZPJMESA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cn2)CC1 ZINC000529551762 313352759 /nfs/dbraw/zinc/35/27/59/313352759.db2.gz GUMVTZOKZXVHLE-IBGZPJMESA-N 2 2 328.435 3.102 20 0 EGADLP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)CC1 ZINC000529551762 313352761 /nfs/dbraw/zinc/35/27/61/313352761.db2.gz GUMVTZOKZXVHLE-IBGZPJMESA-N 2 2 328.435 3.102 20 0 EGADLP Cc1[nH]c(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)[nH+]c1C ZINC000529641636 313376532 /nfs/dbraw/zinc/37/65/32/313376532.db2.gz OGLLAWCYANVDJF-LJQANCHMSA-N 2 2 326.488 3.369 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)[NH+](C)C ZINC000532441826 313799520 /nfs/dbraw/zinc/79/95/20/313799520.db2.gz AZYUTNYBYDZMQJ-GFCCVEGCSA-N 2 2 345.409 3.352 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)CCC2 ZINC000533123024 313876665 /nfs/dbraw/zinc/87/66/65/313876665.db2.gz IHLRBHKOGGQKCS-QUCCMNQESA-N 2 2 347.466 3.433 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c(C)c[nH+]1 ZINC000535061141 314021668 /nfs/dbraw/zinc/02/16/68/314021668.db2.gz WEPQTPKLRNEGEH-LJQANCHMSA-N 2 2 338.455 3.079 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000535848593 314080331 /nfs/dbraw/zinc/08/03/31/314080331.db2.gz KSMMWJHRYZZYNZ-QFBILLFUSA-N 2 2 333.439 3.423 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1n1cc[nH+]c1 ZINC000535848593 314080336 /nfs/dbraw/zinc/08/03/36/314080336.db2.gz KSMMWJHRYZZYNZ-QFBILLFUSA-N 2 2 333.439 3.423 20 0 EGADLP Cn1c2ccccc2[nH+]c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000536503085 314118268 /nfs/dbraw/zinc/11/82/68/314118268.db2.gz PZYGUAUAGVAMLK-INIZCTEOSA-N 2 2 326.469 3.306 20 0 EGADLP CC[C@](C)(COc1ncccc1Cl)[NH2+]CC[NH+]1CCCCC1 ZINC000536732769 314142690 /nfs/dbraw/zinc/14/26/90/314142690.db2.gz LCLFUCGPISWSKE-QGZVFWFLSA-N 2 2 325.884 3.358 20 0 EGADLP CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCn1cc[nH+]c1 ZINC000536784282 314145259 /nfs/dbraw/zinc/14/52/59/314145259.db2.gz SKIWDFCDTSDSPY-INIZCTEOSA-N 2 2 335.835 3.163 20 0 EGADLP CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCn1cc[nH+]c1 ZINC000536784282 314145260 /nfs/dbraw/zinc/14/52/60/314145260.db2.gz SKIWDFCDTSDSPY-INIZCTEOSA-N 2 2 335.835 3.163 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708231 315132907 /nfs/dbraw/zinc/13/29/07/315132907.db2.gz FYIBFUBPEVXYTA-GUDVDZBRSA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708231 315132909 /nfs/dbraw/zinc/13/29/09/315132909.db2.gz FYIBFUBPEVXYTA-GUDVDZBRSA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000550708231 315132911 /nfs/dbraw/zinc/13/29/11/315132911.db2.gz FYIBFUBPEVXYTA-GUDVDZBRSA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000550708231 315132913 /nfs/dbraw/zinc/13/29/13/315132913.db2.gz FYIBFUBPEVXYTA-GUDVDZBRSA-N 2 2 337.552 3.266 20 0 EGADLP CCC1CC([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000551542134 315157733 /nfs/dbraw/zinc/15/77/33/315157733.db2.gz YOKMMEFFIJLOCU-UHFFFAOYSA-N 2 2 329.532 3.363 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000551574787 315159396 /nfs/dbraw/zinc/15/93/96/315159396.db2.gz QJPOLOUWOUHSAZ-HKUYNNGSSA-N 2 2 338.499 3.362 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000551574787 315159397 /nfs/dbraw/zinc/15/93/97/315159397.db2.gz QJPOLOUWOUHSAZ-HKUYNNGSSA-N 2 2 338.499 3.362 20 0 EGADLP OC1(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000554842012 315351417 /nfs/dbraw/zinc/35/14/17/315351417.db2.gz BMDFYWGNFBASPS-LEWJYISDSA-N 2 2 336.479 3.159 20 0 EGADLP OC1(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000554842012 315351419 /nfs/dbraw/zinc/35/14/19/315351419.db2.gz BMDFYWGNFBASPS-LEWJYISDSA-N 2 2 336.479 3.159 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C2CC2)CC1 ZINC000556885588 315480057 /nfs/dbraw/zinc/48/00/57/315480057.db2.gz XRTAUGYETZDMIX-HXUWFJFHSA-N 2 2 344.499 3.187 20 0 EGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000557339601 315506910 /nfs/dbraw/zinc/50/69/10/315506910.db2.gz WZOKXYPNUMRSPF-HOCLYGCPSA-N 2 2 344.286 3.107 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CCCCn2cc[nH+]c2)c(C)c1OC ZINC000560515841 315701859 /nfs/dbraw/zinc/70/18/59/315701859.db2.gz BKOZFLAQASOUNM-HNNXBMFYSA-N 2 2 331.460 3.210 20 0 EGADLP COc1ccc([C@H](C[NH2+]Cc2c[nH+]c(C)n2C)N2CCCCC2)cc1 ZINC000563439953 316022329 /nfs/dbraw/zinc/02/23/29/316022329.db2.gz JOTMCMUVGDCXHB-FQEVSTJZSA-N 2 2 342.487 3.054 20 0 EGADLP COc1cncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000563539861 316036332 /nfs/dbraw/zinc/03/63/32/316036332.db2.gz YZWKKRSOUANLRH-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000563539861 316036336 /nfs/dbraw/zinc/03/63/36/316036336.db2.gz YZWKKRSOUANLRH-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000563539861 316036339 /nfs/dbraw/zinc/03/63/39/316036339.db2.gz YZWKKRSOUANLRH-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1cncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000563539861 316036344 /nfs/dbraw/zinc/03/63/44/316036344.db2.gz YZWKKRSOUANLRH-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP Cc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563668515 316052997 /nfs/dbraw/zinc/05/29/97/316052997.db2.gz ADQRSLGXRCPQBN-SJORKVTESA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563668515 316053002 /nfs/dbraw/zinc/05/30/02/316053002.db2.gz ADQRSLGXRCPQBN-SJORKVTESA-N 2 2 326.444 3.009 20 0 EGADLP C[C@H](CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930698 316233908 /nfs/dbraw/zinc/23/39/08/316233908.db2.gz XRHHVTQAVBZEQK-KURKYZTESA-N 2 2 336.520 3.052 20 0 EGADLP C[C@H](CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930698 316233912 /nfs/dbraw/zinc/23/39/12/316233912.db2.gz XRHHVTQAVBZEQK-KURKYZTESA-N 2 2 336.520 3.052 20 0 EGADLP C[C@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930698 316233915 /nfs/dbraw/zinc/23/39/15/316233915.db2.gz XRHHVTQAVBZEQK-KURKYZTESA-N 2 2 336.520 3.052 20 0 EGADLP C[C@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564930698 316233917 /nfs/dbraw/zinc/23/39/17/316233917.db2.gz XRHHVTQAVBZEQK-KURKYZTESA-N 2 2 336.520 3.052 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000565014704 316248591 /nfs/dbraw/zinc/24/85/91/316248591.db2.gz YLYOPZHKINTUEV-SFHVURJKSA-N 2 2 337.552 3.243 20 0 EGADLP CC(C)=CCC[C@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000565014704 316248593 /nfs/dbraw/zinc/24/85/93/316248593.db2.gz YLYOPZHKINTUEV-SFHVURJKSA-N 2 2 337.552 3.243 20 0 EGADLP COCC[N@H+](CCOc1ccc(F)cc1)CCc1cc[nH+]cc1C ZINC000565477877 316329865 /nfs/dbraw/zinc/32/98/65/316329865.db2.gz HLIZSHVVAMPXPF-UHFFFAOYSA-N 2 2 332.419 3.099 20 0 EGADLP COCC[N@@H+](CCOc1ccc(F)cc1)CCc1cc[nH+]cc1C ZINC000565477877 316329866 /nfs/dbraw/zinc/32/98/66/316329866.db2.gz HLIZSHVVAMPXPF-UHFFFAOYSA-N 2 2 332.419 3.099 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000565611722 316346973 /nfs/dbraw/zinc/34/69/73/316346973.db2.gz CGACUZFAXNTXJU-PGRDOPGGSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C ZINC000565611722 316346976 /nfs/dbraw/zinc/34/69/76/316346976.db2.gz CGACUZFAXNTXJU-PGRDOPGGSA-N 2 2 338.495 3.373 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)n1cc[nH+]c1 ZINC000566800478 316529021 /nfs/dbraw/zinc/52/90/21/316529021.db2.gz UKELGXNMFYKZQW-HNNXBMFYSA-N 2 2 347.422 3.388 20 0 EGADLP CCn1cc[nH+]c1CNc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000570105508 317008378 /nfs/dbraw/zinc/00/83/78/317008378.db2.gz HYDISRVVANWNKW-UHFFFAOYSA-N 2 2 341.503 3.354 20 0 EGADLP FC1(F)CC(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000570614815 317080989 /nfs/dbraw/zinc/08/09/89/317080989.db2.gz KYGBAJUFZPWLGF-UHFFFAOYSA-N 2 2 330.342 3.058 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cncc(Br)c1 ZINC000570647020 317087121 /nfs/dbraw/zinc/08/71/21/317087121.db2.gz INDAWMKBRBLJHA-GFCCVEGCSA-N 2 2 335.249 3.392 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571030603 317141720 /nfs/dbraw/zinc/14/17/20/317141720.db2.gz HEMLGINZCTXPTG-AQNXPRMDSA-N 2 2 338.499 3.310 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571030603 317141723 /nfs/dbraw/zinc/14/17/23/317141723.db2.gz HEMLGINZCTXPTG-AQNXPRMDSA-N 2 2 338.499 3.310 20 0 EGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000571073227 317147443 /nfs/dbraw/zinc/14/74/43/317147443.db2.gz IRTWWIFANIDFMA-BBRMVZONSA-N 2 2 331.439 3.011 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000572478579 317344813 /nfs/dbraw/zinc/34/48/13/317344813.db2.gz RVUZMUYFRGZLAQ-GOSISDBHSA-N 2 2 338.499 3.150 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000572478579 317344817 /nfs/dbraw/zinc/34/48/17/317344817.db2.gz RVUZMUYFRGZLAQ-GOSISDBHSA-N 2 2 338.499 3.150 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000572493259 317347733 /nfs/dbraw/zinc/34/77/33/317347733.db2.gz DXUGVPDQWYYGCC-LJQANCHMSA-N 2 2 336.414 3.192 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1COc3ccccc3C1)C2 ZINC000572623278 317366619 /nfs/dbraw/zinc/36/66/19/317366619.db2.gz VAIWUSQODSHTIR-HZPDHXFCSA-N 2 2 325.456 3.089 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1OC1CCCC1 ZINC000573339269 317472113 /nfs/dbraw/zinc/47/21/13/317472113.db2.gz KEPYCUCKINPZLL-UHFFFAOYSA-N 2 2 329.444 3.348 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c(OC)n1 ZINC000573966634 317546918 /nfs/dbraw/zinc/54/69/18/317546918.db2.gz XAQZDNGALMZEFH-YJBOKZPZSA-N 2 2 347.503 3.232 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000574392376 317592830 /nfs/dbraw/zinc/59/28/30/317592830.db2.gz SNEOGZWIPRKCCN-FFZOFVMBSA-N 2 2 337.467 3.057 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Br)C[C@@H]12 ZINC000261561645 455908271 /nfs/dbraw/zinc/90/82/71/455908271.db2.gz GBVQTEHSTMFAAL-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Br)C[C@@H]12 ZINC000261561645 455908275 /nfs/dbraw/zinc/90/82/75/455908275.db2.gz GBVQTEHSTMFAAL-GAJTVXKRSA-N 2 2 329.669 3.272 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000179460793 323388834 /nfs/dbraw/zinc/38/88/34/323388834.db2.gz LDXOEBOBCSTJIJ-ZNTUOZHHSA-N 2 2 336.479 3.315 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000179460793 323388838 /nfs/dbraw/zinc/38/88/38/323388838.db2.gz LDXOEBOBCSTJIJ-ZNTUOZHHSA-N 2 2 336.479 3.315 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000184371275 323655483 /nfs/dbraw/zinc/65/54/83/323655483.db2.gz CCBGZEHZRVJIQD-GJZGRUSLSA-N 2 2 345.512 3.105 20 0 EGADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000575172776 324431256 /nfs/dbraw/zinc/43/12/56/324431256.db2.gz CUOKUCYOXVDXGT-QRTARXTBSA-N 2 2 332.879 3.141 20 0 EGADLP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000579941856 325179537 /nfs/dbraw/zinc/17/95/37/325179537.db2.gz HTXYCNHUWZSOOS-VQTJNVASSA-N 2 2 337.467 3.019 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979341 325316023 /nfs/dbraw/zinc/31/60/23/325316023.db2.gz OUXNSEXEBNXXCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Br)cs2)C1 ZINC000580979341 325316026 /nfs/dbraw/zinc/31/60/26/325316026.db2.gz OUXNSEXEBNXXCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Br)cs2)C1 ZINC000580979341 325316029 /nfs/dbraw/zinc/31/60/29/325316029.db2.gz OUXNSEXEBNXXCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000580979341 325316032 /nfs/dbraw/zinc/31/60/32/325316032.db2.gz OUXNSEXEBNXXCF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000581412485 325358874 /nfs/dbraw/zinc/35/88/74/325358874.db2.gz QZBZUDNMSKPGMG-NVXWUHKLSA-N 2 2 347.507 3.060 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000581412485 325358877 /nfs/dbraw/zinc/35/88/77/325358877.db2.gz QZBZUDNMSKPGMG-NVXWUHKLSA-N 2 2 347.507 3.060 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000581469112 325363625 /nfs/dbraw/zinc/36/36/25/325363625.db2.gz SJEXVULRRPFDKN-HLNWXESRSA-N 2 2 346.515 3.432 20 0 EGADLP Cn1c(C[NH2+][C@H](C[NH3+])C2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000581479257 325364805 /nfs/dbraw/zinc/36/48/05/325364805.db2.gz MYYOTONSZVZHLG-MRXNPFEDSA-N 2 2 347.894 3.133 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)COc1ccccc1)[NH+](C)C ZINC000582356025 325435080 /nfs/dbraw/zinc/43/50/80/325435080.db2.gz RDFXNGWTRQIJDE-LQWHRVPQSA-N 2 2 342.483 3.016 20 0 EGADLP C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677870 455225429 /nfs/dbraw/zinc/22/54/29/455225429.db2.gz PWXPMWKHCHGPPE-FATZIPQQSA-N 2 2 327.453 3.265 20 0 EGADLP C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677870 455225435 /nfs/dbraw/zinc/22/54/35/455225435.db2.gz PWXPMWKHCHGPPE-FATZIPQQSA-N 2 2 327.453 3.265 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000157793574 455232686 /nfs/dbraw/zinc/23/26/86/455232686.db2.gz JBXGJBBFBPFZLU-KRWDZBQOSA-N 2 2 336.549 3.003 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(Cl)cccc1Cl ZINC000180957391 455269058 /nfs/dbraw/zinc/26/90/58/455269058.db2.gz DXFFKDUBCHGKGF-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(Cl)cccc1Cl ZINC000180957391 455269059 /nfs/dbraw/zinc/26/90/59/455269059.db2.gz DXFFKDUBCHGKGF-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245681770 455353934 /nfs/dbraw/zinc/35/39/34/455353934.db2.gz PDSKPGVXYNXSSG-FHLIZLRMSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245681770 455353938 /nfs/dbraw/zinc/35/39/38/455353938.db2.gz PDSKPGVXYNXSSG-FHLIZLRMSA-N 2 2 340.471 3.410 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245685968 455355719 /nfs/dbraw/zinc/35/57/19/455355719.db2.gz AHHXVSYNJLDYIT-AZUAARDMSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245685968 455355722 /nfs/dbraw/zinc/35/57/22/455355722.db2.gz AHHXVSYNJLDYIT-AZUAARDMSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245685968 455355728 /nfs/dbraw/zinc/35/57/28/455355728.db2.gz AHHXVSYNJLDYIT-AZUAARDMSA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245685968 455355732 /nfs/dbraw/zinc/35/57/32/455355732.db2.gz AHHXVSYNJLDYIT-AZUAARDMSA-N 2 2 340.515 3.131 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517134 453880575 /nfs/dbraw/zinc/88/05/75/453880575.db2.gz BCSZOGSUHNZNNE-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517134 453880578 /nfs/dbraw/zinc/88/05/78/453880578.db2.gz BCSZOGSUHNZNNE-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517134 453880580 /nfs/dbraw/zinc/88/05/80/453880580.db2.gz BCSZOGSUHNZNNE-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517134 453880583 /nfs/dbraw/zinc/88/05/83/453880583.db2.gz BCSZOGSUHNZNNE-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000081631011 453898130 /nfs/dbraw/zinc/89/81/30/453898130.db2.gz YMWADTZEIIXHBM-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000081631011 453898133 /nfs/dbraw/zinc/89/81/33/453898133.db2.gz YMWADTZEIIXHBM-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)c1 ZINC000081631011 453898135 /nfs/dbraw/zinc/89/81/35/453898135.db2.gz YMWADTZEIIXHBM-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000081631011 453898136 /nfs/dbraw/zinc/89/81/36/453898136.db2.gz YMWADTZEIIXHBM-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877962 453961016 /nfs/dbraw/zinc/96/10/16/453961016.db2.gz DAXCBMNSNOTAJD-OAHLLOKOSA-N 2 2 345.409 3.329 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877962 453961021 /nfs/dbraw/zinc/96/10/21/453961021.db2.gz DAXCBMNSNOTAJD-OAHLLOKOSA-N 2 2 345.409 3.329 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877962 453961022 /nfs/dbraw/zinc/96/10/22/453961022.db2.gz DAXCBMNSNOTAJD-OAHLLOKOSA-N 2 2 345.409 3.329 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000083877962 453961026 /nfs/dbraw/zinc/96/10/26/453961026.db2.gz DAXCBMNSNOTAJD-OAHLLOKOSA-N 2 2 345.409 3.329 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CCO)c2cccs2)n1-c1ccccc1 ZINC000084046575 453966134 /nfs/dbraw/zinc/96/61/34/453966134.db2.gz VPXSZUJWRZKARF-QGZVFWFLSA-N 2 2 327.453 3.456 20 0 EGADLP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cn2ccccc2[nH+]1 ZINC000084139997 453972957 /nfs/dbraw/zinc/97/29/57/453972957.db2.gz RPLZENJSJPBEHN-UHFFFAOYSA-N 2 2 342.409 3.431 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000068282731 454014196 /nfs/dbraw/zinc/01/41/96/454014196.db2.gz SFVSMGLTKLXKSH-LJQANCHMSA-N 2 2 349.438 3.207 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000068282731 454014198 /nfs/dbraw/zinc/01/41/98/454014198.db2.gz SFVSMGLTKLXKSH-LJQANCHMSA-N 2 2 349.438 3.207 20 0 EGADLP CCc1cc(N2CCC([NH2+]C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068699186 454045036 /nfs/dbraw/zinc/04/50/36/454045036.db2.gz TYWIEDWPRYISPB-UHFFFAOYSA-N 2 2 325.460 3.068 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000076897933 454047500 /nfs/dbraw/zinc/04/75/00/454047500.db2.gz XYFGOORYYXBZGG-LBPRGKRZSA-N 2 2 348.821 3.142 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(NC(C)=O)n2)CC1 ZINC000056495173 454062195 /nfs/dbraw/zinc/06/21/95/454062195.db2.gz KQZLQJNCLSVEFZ-UHFFFAOYSA-N 2 2 338.521 3.045 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(NC(C)=O)n2)CC1 ZINC000056495173 454062198 /nfs/dbraw/zinc/06/21/98/454062198.db2.gz KQZLQJNCLSVEFZ-UHFFFAOYSA-N 2 2 338.521 3.045 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000245987842 455410850 /nfs/dbraw/zinc/41/08/50/455410850.db2.gz HNCWMHTUCDEOHO-HZPDHXFCSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000245987842 455410851 /nfs/dbraw/zinc/41/08/51/455410851.db2.gz HNCWMHTUCDEOHO-HZPDHXFCSA-N 2 2 334.460 3.386 20 0 EGADLP Fc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Br ZINC000044353307 454097883 /nfs/dbraw/zinc/09/78/83/454097883.db2.gz ZOZNRAOEVGWCOP-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP C[NH+]1CCC([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000089694325 454178931 /nfs/dbraw/zinc/17/89/31/454178931.db2.gz YOUZRDJKTTZFAY-AWEZNQCLSA-N 2 2 327.241 3.259 20 0 EGADLP C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926367 454236062 /nfs/dbraw/zinc/23/60/62/454236062.db2.gz WEBJHPSXRHREKM-CYBMUJFWSA-N 2 2 349.276 3.066 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000090047387 454266657 /nfs/dbraw/zinc/26/66/57/454266657.db2.gz QYNKBWNHAVFLNI-RHSMWYFYSA-N 2 2 338.879 3.254 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090047698 454267292 /nfs/dbraw/zinc/26/72/92/454267292.db2.gz ADNWYTDDSWAAKT-KGLIPLIRSA-N 2 2 330.394 3.467 20 0 EGADLP CCc1cc(N2CC[C@@H]([NH+](CC)CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000078575284 454278479 /nfs/dbraw/zinc/27/84/79/454278479.db2.gz PHTQMSUTLDTULS-QGZVFWFLSA-N 2 2 325.460 3.022 20 0 EGADLP c1ccc(N2CCC([NH2+]CCNc3ccc4ccccc4n3)CC2)[nH+]c1 ZINC000090229823 454294871 /nfs/dbraw/zinc/29/48/71/454294871.db2.gz WAGPJQXOOIZAPK-UHFFFAOYSA-N 2 2 347.466 3.300 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000120393907 454296663 /nfs/dbraw/zinc/29/66/63/454296663.db2.gz NAJZYXHESQWOSH-UHFFFAOYSA-N 2 2 348.487 3.175 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCc3n[nH]cc3C2)CC1 ZINC000090455760 454308137 /nfs/dbraw/zinc/30/81/37/454308137.db2.gz DSESZEMPUSQMLK-KRWDZBQOSA-N 2 2 344.890 3.175 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1COc2ccccc21 ZINC000090844915 454344295 /nfs/dbraw/zinc/34/42/95/454344295.db2.gz OAGUBBNDXOXORC-UZLBHIALSA-N 2 2 337.467 3.200 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000090847494 454345306 /nfs/dbraw/zinc/34/53/06/454345306.db2.gz PQJDLKRRFVAWFA-OAHLLOKOSA-N 2 2 325.412 3.240 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000078974188 454347053 /nfs/dbraw/zinc/34/70/53/454347053.db2.gz HVACUMQDDNKBKD-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000078974188 454347054 /nfs/dbraw/zinc/34/70/54/454347054.db2.gz HVACUMQDDNKBKD-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254596 454372733 /nfs/dbraw/zinc/37/27/33/454372733.db2.gz MVGFSISFQBRFGO-AWEZNQCLSA-N 2 2 343.862 3.457 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[S@@](=O)c2ccccc2)C1 ZINC000072974841 454374339 /nfs/dbraw/zinc/37/43/39/454374339.db2.gz VHNCKALLSGVGIZ-IECBHUPTSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[S@@](=O)c2ccccc2)C1 ZINC000072974841 454374343 /nfs/dbraw/zinc/37/43/43/454374343.db2.gz VHNCKALLSGVGIZ-IECBHUPTSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000072974841 454374346 /nfs/dbraw/zinc/37/43/46/454374346.db2.gz VHNCKALLSGVGIZ-IECBHUPTSA-N 2 2 348.556 3.381 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000072974841 454374349 /nfs/dbraw/zinc/37/43/49/454374349.db2.gz VHNCKALLSGVGIZ-IECBHUPTSA-N 2 2 348.556 3.381 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000073025157 454384234 /nfs/dbraw/zinc/38/42/34/454384234.db2.gz TYGQLVWLGGUMNN-IBGZPJMESA-N 2 2 348.450 3.001 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000079438487 454414826 /nfs/dbraw/zinc/41/48/26/454414826.db2.gz SEDBVCBDWYXLAL-MRXNPFEDSA-N 2 2 337.427 3.072 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000079438487 454414831 /nfs/dbraw/zinc/41/48/31/454414831.db2.gz SEDBVCBDWYXLAL-MRXNPFEDSA-N 2 2 337.427 3.072 20 0 EGADLP Fc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000091672715 454455807 /nfs/dbraw/zinc/45/58/07/454455807.db2.gz MWCRUYXTDZVSQG-AWEZNQCLSA-N 2 2 326.843 3.276 20 0 EGADLP Fc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000091672715 454455811 /nfs/dbraw/zinc/45/58/11/454455811.db2.gz MWCRUYXTDZVSQG-AWEZNQCLSA-N 2 2 326.843 3.276 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000121795078 454477334 /nfs/dbraw/zinc/47/73/34/454477334.db2.gz DJEZSZHZFKVIPY-KDOFPFPSSA-N 2 2 325.412 3.216 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000101647871 454479204 /nfs/dbraw/zinc/47/92/04/454479204.db2.gz UAVXXKUOUHDIFO-UHFFFAOYSA-N 2 2 334.423 3.401 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(Cl)c1OC ZINC000092072293 454516139 /nfs/dbraw/zinc/51/61/39/454516139.db2.gz MDSPCUQXKUCODE-CYBMUJFWSA-N 2 2 335.835 3.460 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(Cl)c1OC ZINC000092072293 454516142 /nfs/dbraw/zinc/51/61/42/454516142.db2.gz MDSPCUQXKUCODE-CYBMUJFWSA-N 2 2 335.835 3.460 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073848 454516583 /nfs/dbraw/zinc/51/65/83/454516583.db2.gz UDMLHQVDSAGPHF-HNNXBMFYSA-N 2 2 337.427 3.188 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073848 454516586 /nfs/dbraw/zinc/51/65/86/454516586.db2.gz UDMLHQVDSAGPHF-HNNXBMFYSA-N 2 2 337.427 3.188 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+]1CCCCCC1 ZINC000074505114 454593765 /nfs/dbraw/zinc/59/37/65/454593765.db2.gz IJUIVSTZHPKILT-HNNXBMFYSA-N 2 2 326.444 3.290 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134897269 454604506 /nfs/dbraw/zinc/60/45/06/454604506.db2.gz DEBISDSHEVSZJN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134897269 454604511 /nfs/dbraw/zinc/60/45/11/454604511.db2.gz DEBISDSHEVSZJN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000134897269 454604515 /nfs/dbraw/zinc/60/45/15/454604515.db2.gz DEBISDSHEVSZJN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000134897269 454604519 /nfs/dbraw/zinc/60/45/19/454604519.db2.gz DEBISDSHEVSZJN-XLIONFOSSA-N 2 2 341.499 3.191 20 0 EGADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902850 454606843 /nfs/dbraw/zinc/60/68/43/454606843.db2.gz ADSOOPNRNNHGPE-WIYYLYMNSA-N 2 2 336.483 3.321 20 0 EGADLP c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902850 454606847 /nfs/dbraw/zinc/60/68/47/454606847.db2.gz ADSOOPNRNNHGPE-WIYYLYMNSA-N 2 2 336.483 3.321 20 0 EGADLP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902850 454606852 /nfs/dbraw/zinc/60/68/52/454606852.db2.gz ADSOOPNRNNHGPE-WIYYLYMNSA-N 2 2 336.483 3.321 20 0 EGADLP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902850 454606857 /nfs/dbraw/zinc/60/68/57/454606857.db2.gz ADSOOPNRNNHGPE-WIYYLYMNSA-N 2 2 336.483 3.321 20 0 EGADLP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000634990928 460643273 /nfs/dbraw/zinc/64/32/73/460643273.db2.gz IHXBYOHRSWRYEY-RTWAWAEBSA-N 2 2 336.483 3.437 20 0 EGADLP Nc1ccc(-c2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]3)n2)cc1 ZINC000634990928 460643281 /nfs/dbraw/zinc/64/32/81/460643281.db2.gz IHXBYOHRSWRYEY-RTWAWAEBSA-N 2 2 336.483 3.437 20 0 EGADLP CCc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931235 454611034 /nfs/dbraw/zinc/61/10/34/454611034.db2.gz IKJWDMWFYVWEDP-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134931235 454611039 /nfs/dbraw/zinc/61/10/39/454611039.db2.gz IKJWDMWFYVWEDP-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931235 454611043 /nfs/dbraw/zinc/61/10/43/454611043.db2.gz IKJWDMWFYVWEDP-XLIONFOSSA-N 2 2 341.499 3.136 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939947 454614162 /nfs/dbraw/zinc/61/41/62/454614162.db2.gz UEHVGVSFMXZLNZ-NLWGTHIKSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939947 454614167 /nfs/dbraw/zinc/61/41/67/454614167.db2.gz UEHVGVSFMXZLNZ-NLWGTHIKSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134939947 454614172 /nfs/dbraw/zinc/61/41/72/454614172.db2.gz UEHVGVSFMXZLNZ-NLWGTHIKSA-N 2 2 349.563 3.266 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134939947 454614175 /nfs/dbraw/zinc/61/41/75/454614175.db2.gz UEHVGVSFMXZLNZ-NLWGTHIKSA-N 2 2 349.563 3.266 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000080960543 454657217 /nfs/dbraw/zinc/65/72/17/454657217.db2.gz XHEDLCBWZFLASP-LLVKDONJSA-N 2 2 336.798 3.020 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000080960543 454657221 /nfs/dbraw/zinc/65/72/21/454657221.db2.gz XHEDLCBWZFLASP-LLVKDONJSA-N 2 2 336.798 3.020 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000080961813 454659399 /nfs/dbraw/zinc/65/93/99/454659399.db2.gz NTEZWEQLCWKWHA-XJKSGUPXSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000080961813 454659403 /nfs/dbraw/zinc/65/94/03/454659403.db2.gz NTEZWEQLCWKWHA-XJKSGUPXSA-N 2 2 344.846 3.048 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[NH+](C)C ZINC000106459933 454695805 /nfs/dbraw/zinc/69/58/05/454695805.db2.gz OHFLGWGKWSMHHZ-LJQANCHMSA-N 2 2 340.471 3.411 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1OC ZINC000093604575 454723273 /nfs/dbraw/zinc/72/32/73/454723273.db2.gz VWXUKTSVBFNBSH-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1OC ZINC000093604575 454723277 /nfs/dbraw/zinc/72/32/77/454723277.db2.gz VWXUKTSVBFNBSH-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093693096 454730778 /nfs/dbraw/zinc/73/07/78/454730778.db2.gz FSSKOSZCYHYPBU-MRXNPFEDSA-N 2 2 327.472 3.407 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093693096 454730781 /nfs/dbraw/zinc/73/07/81/454730781.db2.gz FSSKOSZCYHYPBU-MRXNPFEDSA-N 2 2 327.472 3.407 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124457848 454735690 /nfs/dbraw/zinc/73/56/90/454735690.db2.gz LGYFQZDOBGYMIO-INIZCTEOSA-N 2 2 336.439 3.385 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124457848 454735693 /nfs/dbraw/zinc/73/56/93/454735693.db2.gz LGYFQZDOBGYMIO-INIZCTEOSA-N 2 2 336.439 3.385 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1OC ZINC000093866278 454740874 /nfs/dbraw/zinc/74/08/74/454740874.db2.gz BCJTZAHWULUIPP-HNNXBMFYSA-N 2 2 348.830 3.406 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1OC ZINC000093866278 454740877 /nfs/dbraw/zinc/74/08/77/454740877.db2.gz BCJTZAHWULUIPP-HNNXBMFYSA-N 2 2 348.830 3.406 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866280 454742112 /nfs/dbraw/zinc/74/21/12/454742112.db2.gz YOGLHDDBBVHTMS-KRWDZBQOSA-N 2 2 341.430 3.474 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866280 454742113 /nfs/dbraw/zinc/74/21/13/454742113.db2.gz YOGLHDDBBVHTMS-KRWDZBQOSA-N 2 2 341.430 3.474 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000162228608 454760866 /nfs/dbraw/zinc/76/08/66/454760866.db2.gz URLFQXOXHHMWOM-NRFANRHFSA-N 2 2 337.467 3.332 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153275277 454777551 /nfs/dbraw/zinc/77/75/51/454777551.db2.gz TXEQPWKJTUTKHT-KBPBESRZSA-N 2 2 339.549 3.368 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033957 454813792 /nfs/dbraw/zinc/81/37/92/454813792.db2.gz ZVVXUGCWCNGDSQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033957 454813793 /nfs/dbraw/zinc/81/37/93/454813793.db2.gz ZVVXUGCWCNGDSQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033957 454813796 /nfs/dbraw/zinc/81/37/96/454813796.db2.gz ZVVXUGCWCNGDSQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177033957 454813799 /nfs/dbraw/zinc/81/37/99/454813799.db2.gz ZVVXUGCWCNGDSQ-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CN(C)[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1cccs1 ZINC000125528768 454829021 /nfs/dbraw/zinc/82/90/21/454829021.db2.gz OTUFFDBISFHQGW-WBVHZDCISA-N 2 2 326.469 3.453 20 0 EGADLP C[NH+](C)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccs1 ZINC000125528768 454829024 /nfs/dbraw/zinc/82/90/24/454829024.db2.gz OTUFFDBISFHQGW-WBVHZDCISA-N 2 2 326.469 3.453 20 0 EGADLP OCCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc21 ZINC000177165836 454831621 /nfs/dbraw/zinc/83/16/21/454831621.db2.gz XGACJJUWPXOBRL-HXUWFJFHSA-N 2 2 348.450 3.139 20 0 EGADLP OCCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCc2ccccc21 ZINC000177165836 454831624 /nfs/dbraw/zinc/83/16/24/454831624.db2.gz XGACJJUWPXOBRL-HXUWFJFHSA-N 2 2 348.450 3.139 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000177194086 454834710 /nfs/dbraw/zinc/83/47/10/454834710.db2.gz MFLWEWJTGTWUDD-HOCLYGCPSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@H+]1C1CC1 ZINC000177194086 454834715 /nfs/dbraw/zinc/83/47/15/454834715.db2.gz MFLWEWJTGTWUDD-HOCLYGCPSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCOCC2)CCOCC1)c1ccccc1 ZINC000154025929 454858087 /nfs/dbraw/zinc/85/80/87/454858087.db2.gz LOFZYFVIYVTEBU-ZWKOTPCHSA-N 2 2 346.515 3.291 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037011 454872610 /nfs/dbraw/zinc/87/26/10/454872610.db2.gz XEBNBEXUZUBDFJ-CKEIUWERSA-N 2 2 330.451 3.453 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037011 454872613 /nfs/dbraw/zinc/87/26/13/454872613.db2.gz XEBNBEXUZUBDFJ-CKEIUWERSA-N 2 2 330.451 3.453 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CCC3)cc1 ZINC000154265956 454879018 /nfs/dbraw/zinc/87/90/18/454879018.db2.gz ZYIWBXJXXMQBGG-JKSUJKDBSA-N 2 2 345.512 3.008 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177794708 454906367 /nfs/dbraw/zinc/90/63/67/454906367.db2.gz IAMFMMLEHRGWMO-FUHWJXTLSA-N 2 2 346.434 3.328 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000114198191 454946288 /nfs/dbraw/zinc/94/62/88/454946288.db2.gz PFEOWODDOLIDQD-QGZVFWFLSA-N 2 2 337.467 3.176 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000114198191 454946291 /nfs/dbraw/zinc/94/62/91/454946291.db2.gz PFEOWODDOLIDQD-QGZVFWFLSA-N 2 2 337.467 3.176 20 0 EGADLP CC[NH+]1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000114313707 454950670 /nfs/dbraw/zinc/95/06/70/454950670.db2.gz VOEVBFWCZYTUGQ-UHFFFAOYSA-N 2 2 345.830 3.305 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155023844 454954530 /nfs/dbraw/zinc/95/45/30/454954530.db2.gz BOPHPUUDQAWIRA-BEFAXECRSA-N 2 2 338.442 3.460 20 0 EGADLP COCCC[C@@H](C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000178535562 454960640 /nfs/dbraw/zinc/96/06/40/454960640.db2.gz ZEPCUDGXHHUXQR-QZTJIDSGSA-N 2 2 334.504 3.291 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000127411290 454962501 /nfs/dbraw/zinc/96/25/01/454962501.db2.gz IYXDRYDIRPYNJF-UHFFFAOYSA-N 2 2 332.879 3.053 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000151284570 454963190 /nfs/dbraw/zinc/96/31/90/454963190.db2.gz YENBUAHKRKYOSN-HNAYVOBHSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000151284570 454963192 /nfs/dbraw/zinc/96/31/92/454963192.db2.gz YENBUAHKRKYOSN-HNAYVOBHSA-N 2 2 349.482 3.029 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178803747 454979412 /nfs/dbraw/zinc/97/94/12/454979412.db2.gz RDJIECCJJWODKD-XMMPIXPASA-N 2 2 339.464 3.242 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178803747 454979416 /nfs/dbraw/zinc/97/94/16/454979416.db2.gz RDJIECCJJWODKD-XMMPIXPASA-N 2 2 339.464 3.242 20 0 EGADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000115439810 455015589 /nfs/dbraw/zinc/01/55/89/455015589.db2.gz RDRLSGKRRGAPOJ-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000115439810 455015590 /nfs/dbraw/zinc/01/55/90/455015590.db2.gz RDRLSGKRRGAPOJ-MRXNPFEDSA-N 2 2 339.439 3.288 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151801920 455032616 /nfs/dbraw/zinc/03/26/16/455032616.db2.gz ZNYOPLONPFBLSU-SFTDATJTSA-N 2 2 342.458 3.286 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128389199 455051444 /nfs/dbraw/zinc/05/14/44/455051444.db2.gz BOYZMAJMPUMBQT-UHFFFAOYSA-N 2 2 342.487 3.312 20 0 EGADLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000128690254 455077508 /nfs/dbraw/zinc/07/75/08/455077508.db2.gz BWPKZPYMUQVFSO-UHFFFAOYSA-N 3 2 330.451 3.120 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156163665 455088667 /nfs/dbraw/zinc/08/86/67/455088667.db2.gz WTPFOCPXBQULHO-HKUYNNGSSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156163665 455088669 /nfs/dbraw/zinc/08/86/69/455088669.db2.gz WTPFOCPXBQULHO-HKUYNNGSSA-N 2 2 335.536 3.116 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000152489421 455126820 /nfs/dbraw/zinc/12/68/20/455126820.db2.gz DNGUADCFBLELEV-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000152489421 455126823 /nfs/dbraw/zinc/12/68/23/455126823.db2.gz DNGUADCFBLELEV-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000152489421 455126827 /nfs/dbraw/zinc/12/68/27/455126827.db2.gz DNGUADCFBLELEV-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000152489421 455126829 /nfs/dbraw/zinc/12/68/29/455126829.db2.gz DNGUADCFBLELEV-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000156600397 455136861 /nfs/dbraw/zinc/13/68/61/455136861.db2.gz JPQQKWMZSDAJIK-XLIONFOSSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000156600397 455136865 /nfs/dbraw/zinc/13/68/65/455136865.db2.gz JPQQKWMZSDAJIK-XLIONFOSSA-N 2 2 327.472 3.442 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180402713 455164216 /nfs/dbraw/zinc/16/42/16/455164216.db2.gz YDNZNVQWDPQRPM-OAQYLSRUSA-N 2 2 339.483 3.262 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cccc2[nH+]ccn21 ZINC000180405080 455164751 /nfs/dbraw/zinc/16/47/51/455164751.db2.gz UHHQNUGPTZOHHG-GOSISDBHSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc2[nH+]ccn21 ZINC000180405080 455164753 /nfs/dbraw/zinc/16/47/53/455164753.db2.gz UHHQNUGPTZOHHG-GOSISDBHSA-N 2 2 334.467 3.431 20 0 EGADLP Cc1nc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000172739370 455180759 /nfs/dbraw/zinc/18/07/59/455180759.db2.gz LBDHGXSULFFGKE-UHFFFAOYSA-N 2 2 345.516 3.304 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237400565 455181737 /nfs/dbraw/zinc/18/17/37/455181737.db2.gz PSRIMLPDZJNIST-GOEBONIOSA-N 2 2 326.444 3.051 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463484 455307011 /nfs/dbraw/zinc/30/70/11/455307011.db2.gz XLDBQKNVNKOLGM-CVEARBPZSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463484 455307013 /nfs/dbraw/zinc/30/70/13/455307013.db2.gz XLDBQKNVNKOLGM-CVEARBPZSA-N 2 2 349.906 3.475 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1F ZINC000158939783 455338807 /nfs/dbraw/zinc/33/88/07/455338807.db2.gz LXNHWVMQJBSNJO-CRAIPNDOSA-N 2 2 326.431 3.098 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245739318 455369300 /nfs/dbraw/zinc/36/93/00/455369300.db2.gz XBIFYUDECXIWTL-IUODEOHRSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cncc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245739318 455369303 /nfs/dbraw/zinc/36/93/03/455369303.db2.gz XBIFYUDECXIWTL-IUODEOHRSA-N 2 2 335.249 3.124 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000181965125 455406308 /nfs/dbraw/zinc/40/63/08/455406308.db2.gz BGBUWBMHQAQQFB-UHFFFAOYSA-N 2 2 338.879 3.433 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000181965125 455406311 /nfs/dbraw/zinc/40/63/11/455406311.db2.gz BGBUWBMHQAQQFB-UHFFFAOYSA-N 2 2 338.879 3.433 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000246074192 455422285 /nfs/dbraw/zinc/42/22/85/455422285.db2.gz FEXUPDWJTYAACB-WFASDCNBSA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000246074192 455422290 /nfs/dbraw/zinc/42/22/90/455422290.db2.gz FEXUPDWJTYAACB-WFASDCNBSA-N 2 2 341.293 3.278 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000246167925 455439483 /nfs/dbraw/zinc/43/94/83/455439483.db2.gz IVRXKROOHIWEJW-AZUAARDMSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1)c1ccccc1 ZINC000246167925 455439487 /nfs/dbraw/zinc/43/94/87/455439487.db2.gz IVRXKROOHIWEJW-AZUAARDMSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000246167925 455439491 /nfs/dbraw/zinc/43/94/91/455439491.db2.gz IVRXKROOHIWEJW-AZUAARDMSA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000246167925 455439498 /nfs/dbraw/zinc/43/94/98/455439498.db2.gz IVRXKROOHIWEJW-AZUAARDMSA-N 2 2 345.531 3.308 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000182172527 455452581 /nfs/dbraw/zinc/45/25/81/455452581.db2.gz VRWJUDTZZKAKOG-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000182172527 455452585 /nfs/dbraw/zinc/45/25/85/455452585.db2.gz VRWJUDTZZKAKOG-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328498 455472098 /nfs/dbraw/zinc/47/20/98/455472098.db2.gz KBRGWBJALUQWQW-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328498 455472102 /nfs/dbraw/zinc/47/21/02/455472102.db2.gz KBRGWBJALUQWQW-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328498 455472103 /nfs/dbraw/zinc/47/21/03/455472103.db2.gz KBRGWBJALUQWQW-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328498 455472105 /nfs/dbraw/zinc/47/21/05/455472105.db2.gz KBRGWBJALUQWQW-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946334 455480195 /nfs/dbraw/zinc/48/01/95/455480195.db2.gz SKTLPIINGXRHAH-HUUCEWRRSA-N 2 2 349.438 3.165 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946334 455480198 /nfs/dbraw/zinc/48/01/98/455480198.db2.gz SKTLPIINGXRHAH-HUUCEWRRSA-N 2 2 349.438 3.165 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247025167 455546142 /nfs/dbraw/zinc/54/61/42/455546142.db2.gz DJSLLUHBKWITAN-IEZWGBDMSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000247025167 455546145 /nfs/dbraw/zinc/54/61/45/455546145.db2.gz DJSLLUHBKWITAN-IEZWGBDMSA-N 2 2 340.471 3.410 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000182585903 455547391 /nfs/dbraw/zinc/54/73/91/455547391.db2.gz MPNDXVOHKZJCBK-IBGZPJMESA-N 2 2 327.472 3.282 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000182585903 455547393 /nfs/dbraw/zinc/54/73/93/455547393.db2.gz MPNDXVOHKZJCBK-IBGZPJMESA-N 2 2 327.472 3.282 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692172 455569605 /nfs/dbraw/zinc/56/96/05/455569605.db2.gz GMQROGQQJHKOMY-RDJZCZTQSA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nccn1C ZINC000182692172 455569608 /nfs/dbraw/zinc/56/96/08/455569608.db2.gz GMQROGQQJHKOMY-RDJZCZTQSA-N 2 2 332.517 3.435 20 0 EGADLP CC[NH+](CC)CCOc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000192279092 455586397 /nfs/dbraw/zinc/58/63/97/455586397.db2.gz YJAGLTFCJVSXCX-UHFFFAOYSA-N 2 2 349.866 3.045 20 0 EGADLP CC[NH+](CC)CCOc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000192279092 455586400 /nfs/dbraw/zinc/58/64/00/455586400.db2.gz YJAGLTFCJVSXCX-UHFFFAOYSA-N 2 2 349.866 3.045 20 0 EGADLP COCCOc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185675681 455594138 /nfs/dbraw/zinc/59/41/38/455594138.db2.gz KVTRGFBPJAQPNQ-LAUBAEHRSA-N 2 2 342.483 3.493 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000192355308 455596103 /nfs/dbraw/zinc/59/61/03/455596103.db2.gz JGFQZBLKDDNIPN-GOSISDBHSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000192355308 455596108 /nfs/dbraw/zinc/59/61/08/455596108.db2.gz JGFQZBLKDDNIPN-GOSISDBHSA-N 2 2 346.421 3.346 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343383 455604729 /nfs/dbraw/zinc/60/47/29/455604729.db2.gz OSNYJVBMACIMNG-LPHOPBHVSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343383 455604735 /nfs/dbraw/zinc/60/47/35/455604735.db2.gz OSNYJVBMACIMNG-LPHOPBHVSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343383 455604741 /nfs/dbraw/zinc/60/47/41/455604741.db2.gz OSNYJVBMACIMNG-LPHOPBHVSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343383 455604746 /nfs/dbraw/zinc/60/47/46/455604746.db2.gz OSNYJVBMACIMNG-LPHOPBHVSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc2c(s1)C[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000283875207 455606682 /nfs/dbraw/zinc/60/66/82/455606682.db2.gz AKOQZXYWTQOTKH-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)C[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000283875207 455606689 /nfs/dbraw/zinc/60/66/89/455606689.db2.gz AKOQZXYWTQOTKH-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)C[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)CC2 ZINC000283875207 455606693 /nfs/dbraw/zinc/60/66/93/455606693.db2.gz AKOQZXYWTQOTKH-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)C[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)CC2 ZINC000283875207 455606698 /nfs/dbraw/zinc/60/66/98/455606698.db2.gz AKOQZXYWTQOTKH-IBGZPJMESA-N 2 2 342.508 3.397 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000268165351 455607390 /nfs/dbraw/zinc/60/73/90/455607390.db2.gz OQSHHKBPMLMBMN-MRXNPFEDSA-N 2 2 328.460 3.469 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193367 455614590 /nfs/dbraw/zinc/61/45/90/455614590.db2.gz NIWBBSVKHNLECC-KUHUBIRLSA-N 2 2 337.423 3.086 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193367 455614593 /nfs/dbraw/zinc/61/45/93/455614593.db2.gz NIWBBSVKHNLECC-KUHUBIRLSA-N 2 2 337.423 3.086 20 0 EGADLP Cc1noc(C2CCC([NH2+]CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000292291653 455620305 /nfs/dbraw/zinc/62/03/05/455620305.db2.gz VHHHXQGXTRJVAN-UHFFFAOYSA-N 2 2 328.460 3.126 20 0 EGADLP Cc1noc(C2CCC([NH2+]CC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000292291653 455620307 /nfs/dbraw/zinc/62/03/07/455620307.db2.gz VHHHXQGXTRJVAN-UHFFFAOYSA-N 2 2 328.460 3.126 20 0 EGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)cn2c1 ZINC000284083735 455633835 /nfs/dbraw/zinc/63/38/35/455633835.db2.gz VFNGITPXXGRPNV-QGZVFWFLSA-N 2 2 349.482 3.353 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247701663 455640139 /nfs/dbraw/zinc/64/01/39/455640139.db2.gz YAJLBCHOBATNFB-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247701663 455640142 /nfs/dbraw/zinc/64/01/42/455640142.db2.gz YAJLBCHOBATNFB-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247701663 455640146 /nfs/dbraw/zinc/64/01/46/455640146.db2.gz YAJLBCHOBATNFB-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247701663 455640148 /nfs/dbraw/zinc/64/01/48/455640148.db2.gz YAJLBCHOBATNFB-DZGCQCFKSA-N 2 2 339.430 3.098 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000284267556 455659801 /nfs/dbraw/zinc/65/98/01/455659801.db2.gz MNIPJGWZYCWAOU-UHFFFAOYSA-N 2 2 345.487 3.072 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000271505491 455663886 /nfs/dbraw/zinc/66/38/86/455663886.db2.gz MVXDUUOETZDDDT-FHWLQOOXSA-N 2 2 338.442 3.383 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)C(F)(F)F ZINC000271538649 455677540 /nfs/dbraw/zinc/67/75/40/455677540.db2.gz QOAXYENENLPLJU-SIXLDLHFSA-N 2 2 344.421 3.331 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H](O)C(F)(F)F ZINC000271538649 455677544 /nfs/dbraw/zinc/67/75/44/455677544.db2.gz QOAXYENENLPLJU-SIXLDLHFSA-N 2 2 344.421 3.331 20 0 EGADLP C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277900516 455702553 /nfs/dbraw/zinc/70/25/53/455702553.db2.gz UIVGEHRLIJOHGO-TZMCWYRMSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277900516 455702559 /nfs/dbraw/zinc/70/25/59/455702559.db2.gz UIVGEHRLIJOHGO-TZMCWYRMSA-N 2 2 331.851 3.035 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H](C)c2ccccc2)CC1 ZINC000271717774 455732299 /nfs/dbraw/zinc/73/22/99/455732299.db2.gz CRLLLTQGKDTFMB-KRWDZBQOSA-N 2 2 332.488 3.187 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799117 455760549 /nfs/dbraw/zinc/76/05/49/455760549.db2.gz BHQFPMNAHBOSOT-RDJZCZTQSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799117 455760552 /nfs/dbraw/zinc/76/05/52/455760552.db2.gz BHQFPMNAHBOSOT-RDJZCZTQSA-N 2 2 341.503 3.102 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000271796174 455762862 /nfs/dbraw/zinc/76/28/62/455762862.db2.gz KEWIDTFEBLCGPP-ZDUSSCGKSA-N 2 2 340.414 3.033 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)CCC2 ZINC000278151588 455771113 /nfs/dbraw/zinc/77/11/13/455771113.db2.gz ADOXAIDNAJGXDF-GXTWGEPZSA-N 2 2 331.416 3.017 20 0 EGADLP Cn1nc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000186478063 455776567 /nfs/dbraw/zinc/77/65/67/455776567.db2.gz NHKBIIJBCHKPIL-LJQANCHMSA-N 2 2 348.494 3.370 20 0 EGADLP Cn1nc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000186478063 455776572 /nfs/dbraw/zinc/77/65/72/455776572.db2.gz NHKBIIJBCHKPIL-LJQANCHMSA-N 2 2 348.494 3.370 20 0 EGADLP Cc1c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057411 455778154 /nfs/dbraw/zinc/77/81/54/455778154.db2.gz ZLRPTASUUTUSRG-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057411 455778157 /nfs/dbraw/zinc/77/81/57/455778157.db2.gz ZLRPTASUUTUSRG-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057411 455778162 /nfs/dbraw/zinc/77/81/62/455778162.db2.gz ZLRPTASUUTUSRG-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000269057411 455778168 /nfs/dbraw/zinc/77/81/68/455778168.db2.gz ZLRPTASUUTUSRG-JXFKEZNVSA-N 2 2 326.488 3.213 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2cccs2)CC1 ZINC000271846523 455784702 /nfs/dbraw/zinc/78/47/02/455784702.db2.gz VCGRYBQWMSOBMN-UHFFFAOYSA-N 2 2 338.517 3.033 20 0 EGADLP OCC[C@H]([NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000186521425 455785768 /nfs/dbraw/zinc/78/57/68/455785768.db2.gz ZCBHXYWMGPPFCP-YRPNKDGESA-N 2 2 340.467 3.203 20 0 EGADLP OCC[C@H]([NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000186521425 455785775 /nfs/dbraw/zinc/78/57/75/455785775.db2.gz ZCBHXYWMGPPFCP-YRPNKDGESA-N 2 2 340.467 3.203 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186579543 455798605 /nfs/dbraw/zinc/79/86/05/455798605.db2.gz CEINYZSENUOVTA-GPANFISMSA-N 2 2 336.442 3.302 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000186579543 455798606 /nfs/dbraw/zinc/79/86/06/455798606.db2.gz CEINYZSENUOVTA-GPANFISMSA-N 2 2 336.442 3.302 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285365340 455831325 /nfs/dbraw/zinc/83/13/25/455831325.db2.gz BSFMKLLXJUFAAM-DFNIBXOVSA-N 2 2 329.488 3.306 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285365340 455831328 /nfs/dbraw/zinc/83/13/28/455831328.db2.gz BSFMKLLXJUFAAM-DFNIBXOVSA-N 2 2 329.488 3.306 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285365340 455831332 /nfs/dbraw/zinc/83/13/32/455831332.db2.gz BSFMKLLXJUFAAM-DFNIBXOVSA-N 2 2 329.488 3.306 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285365340 455831335 /nfs/dbraw/zinc/83/13/35/455831335.db2.gz BSFMKLLXJUFAAM-DFNIBXOVSA-N 2 2 329.488 3.306 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186850478 455842943 /nfs/dbraw/zinc/84/29/43/455842943.db2.gz PPMMCWHCPQIYPY-MSOLQXFVSA-N 2 2 330.472 3.390 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186850478 455842947 /nfs/dbraw/zinc/84/29/47/455842947.db2.gz PPMMCWHCPQIYPY-MSOLQXFVSA-N 2 2 330.472 3.390 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186850478 455842950 /nfs/dbraw/zinc/84/29/50/455842950.db2.gz PPMMCWHCPQIYPY-MSOLQXFVSA-N 2 2 330.472 3.390 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186850478 455842953 /nfs/dbraw/zinc/84/29/53/455842953.db2.gz PPMMCWHCPQIYPY-MSOLQXFVSA-N 2 2 330.472 3.390 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000285486888 455856282 /nfs/dbraw/zinc/85/62/82/455856282.db2.gz OZVXACKRZOXSPJ-UHFFFAOYSA-N 2 2 338.377 3.075 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cncs1 ZINC000272198610 455873869 /nfs/dbraw/zinc/87/38/69/455873869.db2.gz IQRJPKFYROFDSS-CYBMUJFWSA-N 2 2 331.489 3.242 20 0 EGADLP c1c[nH+]c([C@@H](NC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)[nH]1 ZINC000194957534 455905426 /nfs/dbraw/zinc/90/54/26/455905426.db2.gz YQDWCCZRVCMBHA-FQEVSTJZSA-N 2 2 347.466 3.148 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261594544 455909714 /nfs/dbraw/zinc/90/97/14/455909714.db2.gz ZVQPTUCHJMAVAZ-PXNSSMCTSA-N 2 2 340.467 3.122 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261643598 455919724 /nfs/dbraw/zinc/91/97/24/455919724.db2.gz IPAIXSABVPIEBU-MJGOQNOKSA-N 2 2 326.440 3.417 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261643598 455919732 /nfs/dbraw/zinc/91/97/32/455919732.db2.gz IPAIXSABVPIEBU-MJGOQNOKSA-N 2 2 326.440 3.417 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000261755681 455942804 /nfs/dbraw/zinc/94/28/04/455942804.db2.gz QPXBDVPKAMKHGO-NHCUHLMSSA-N 2 2 343.515 3.095 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000261755681 455942808 /nfs/dbraw/zinc/94/28/08/455942808.db2.gz QPXBDVPKAMKHGO-NHCUHLMSSA-N 2 2 343.515 3.095 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261759826 455942906 /nfs/dbraw/zinc/94/29/06/455942906.db2.gz PUVJWAVTZWSUPT-MRXNPFEDSA-N 2 2 335.879 3.051 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000272441587 455953309 /nfs/dbraw/zinc/95/33/09/455953309.db2.gz TXNLYLRPDIEPGE-GXTWGEPZSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000272441587 455953313 /nfs/dbraw/zinc/95/33/13/455953313.db2.gz TXNLYLRPDIEPGE-GXTWGEPZSA-N 2 2 335.249 3.124 20 0 EGADLP CC(C)[NH+]1CCN(C2CCN(c3cc[nH+]c4ccsc43)CC2)CC1 ZINC000270518371 455973755 /nfs/dbraw/zinc/97/37/55/455973755.db2.gz ZIVWGLXGHSHZCV-UHFFFAOYSA-N 2 2 344.528 3.291 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)Nc1ccccc1 ZINC000272514538 455977958 /nfs/dbraw/zinc/97/79/58/455977958.db2.gz GVRFLMJZVALZRA-CYBMUJFWSA-N 2 2 343.393 3.020 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@H]1[NH3+] ZINC000262026854 455987137 /nfs/dbraw/zinc/98/71/37/455987137.db2.gz NPRZBOXOADIMNQ-UGSOOPFHSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@H]1[NH3+] ZINC000262026854 455987144 /nfs/dbraw/zinc/98/71/44/455987144.db2.gz NPRZBOXOADIMNQ-UGSOOPFHSA-N 2 2 343.858 3.371 20 0 EGADLP c1ccc(-c2noc([C@@H]3CCCC[N@H+]3C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034331 455988002 /nfs/dbraw/zinc/98/80/02/455988002.db2.gz XNQZYLKWDCXQSP-RDJZCZTQSA-N 2 2 326.444 3.263 20 0 EGADLP c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3C[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034331 455988004 /nfs/dbraw/zinc/98/80/04/455988004.db2.gz XNQZYLKWDCXQSP-RDJZCZTQSA-N 2 2 326.444 3.263 20 0 EGADLP O=C(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Nc1ccccc1 ZINC000272567543 455996783 /nfs/dbraw/zinc/99/67/83/455996783.db2.gz OMCKNDPXEOGAAF-UHFFFAOYSA-N 2 2 343.393 3.022 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000262112528 455999957 /nfs/dbraw/zinc/99/99/57/455999957.db2.gz BDODHWGKHWTXJP-XLIONFOSSA-N 2 2 339.483 3.355 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000262112528 455999963 /nfs/dbraw/zinc/99/99/63/455999963.db2.gz BDODHWGKHWTXJP-XLIONFOSSA-N 2 2 339.483 3.355 20 0 EGADLP C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000262307035 456022543 /nfs/dbraw/zinc/02/25/43/456022543.db2.gz CKIICINUNSPEBE-SFHVURJKSA-N 2 2 345.830 3.338 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286349703 456029882 /nfs/dbraw/zinc/02/98/82/456029882.db2.gz ZEQFPAQKXGKDAK-HKLFFYFNSA-N 2 2 340.870 3.365 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000286349703 456029886 /nfs/dbraw/zinc/02/98/86/456029886.db2.gz ZEQFPAQKXGKDAK-HKLFFYFNSA-N 2 2 340.870 3.365 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695367 456042447 /nfs/dbraw/zinc/04/24/47/456042447.db2.gz XRXVFIWTOOUBFX-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695367 456042449 /nfs/dbraw/zinc/04/24/49/456042449.db2.gz XRXVFIWTOOUBFX-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695367 456042452 /nfs/dbraw/zinc/04/24/52/456042452.db2.gz XRXVFIWTOOUBFX-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCc3cccnc3)[C@@H]2C1 ZINC000272695367 456042453 /nfs/dbraw/zinc/04/24/53/456042453.db2.gz XRXVFIWTOOUBFX-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP C[C@H](CCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000188451642 456065557 /nfs/dbraw/zinc/06/55/57/456065557.db2.gz MJICLTSRWWNHCZ-CRAIPNDOSA-N 2 2 330.451 3.492 20 0 EGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000271166088 456151688 /nfs/dbraw/zinc/15/16/88/456151688.db2.gz CLIBOLDSDDHETG-AWEZNQCLSA-N 2 2 334.847 3.240 20 0 EGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000271166088 456151689 /nfs/dbraw/zinc/15/16/89/456151689.db2.gz CLIBOLDSDDHETG-AWEZNQCLSA-N 2 2 334.847 3.240 20 0 EGADLP c1cc(C[NH2+]C2CCCCCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000236583809 456156611 /nfs/dbraw/zinc/15/66/11/456156611.db2.gz AAYWVAUDFWHKBB-UHFFFAOYSA-N 2 2 332.488 3.210 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)n1-c1ccccc1 ZINC000289934803 456187203 /nfs/dbraw/zinc/18/72/03/456187203.db2.gz TZWIGMGROGVIBK-FCHUYYIVSA-N 2 2 347.462 3.437 20 0 EGADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000236842179 456191640 /nfs/dbraw/zinc/19/16/40/456191640.db2.gz KOIDCLGENMAWSH-MRXNPFEDSA-N 2 2 326.444 3.342 20 0 EGADLP C[C@@H]1C[N@@H+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@H](C)O1 ZINC000301705886 456193053 /nfs/dbraw/zinc/19/30/53/456193053.db2.gz GFSYNFLFUPJECH-BETUJISGSA-N 2 2 331.382 3.402 20 0 EGADLP C[C@@H]1C[N@H+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)C[C@H](C)O1 ZINC000301705886 456193060 /nfs/dbraw/zinc/19/30/60/456193060.db2.gz GFSYNFLFUPJECH-BETUJISGSA-N 2 2 331.382 3.402 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000333349559 456204650 /nfs/dbraw/zinc/20/46/50/456204650.db2.gz VPHYKGWXLQUIPJ-IRXDYDNUSA-N 2 2 347.507 3.157 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000333349559 456204654 /nfs/dbraw/zinc/20/46/54/456204654.db2.gz VPHYKGWXLQUIPJ-IRXDYDNUSA-N 2 2 347.507 3.157 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2Br)C1 ZINC000290054135 456228455 /nfs/dbraw/zinc/22/84/55/456228455.db2.gz OWLXCYSMPAJQFO-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)cc2Br)C1 ZINC000290054135 456228461 /nfs/dbraw/zinc/22/84/61/456228461.db2.gz OWLXCYSMPAJQFO-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC000290054135 456228466 /nfs/dbraw/zinc/22/84/66/456228466.db2.gz OWLXCYSMPAJQFO-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2Br)C1 ZINC000290054135 456228471 /nfs/dbraw/zinc/22/84/71/456228471.db2.gz OWLXCYSMPAJQFO-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP C[C@@H](O)c1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085657 456235566 /nfs/dbraw/zinc/23/55/66/456235566.db2.gz QYMZZZWDQVMYFT-WBVHZDCISA-N 2 2 345.512 3.150 20 0 EGADLP C[C@@H](O)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000290085657 456235572 /nfs/dbraw/zinc/23/55/72/456235572.db2.gz QYMZZZWDQVMYFT-WBVHZDCISA-N 2 2 345.512 3.150 20 0 EGADLP C[C@@H](O)c1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000290085657 456235575 /nfs/dbraw/zinc/23/55/75/456235575.db2.gz QYMZZZWDQVMYFT-WBVHZDCISA-N 2 2 345.512 3.150 20 0 EGADLP C[C@@H](O)c1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000290085657 456235581 /nfs/dbraw/zinc/23/55/81/456235581.db2.gz QYMZZZWDQVMYFT-WBVHZDCISA-N 2 2 345.512 3.150 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301863129 456236582 /nfs/dbraw/zinc/23/65/82/456236582.db2.gz AQORVSINDGUHMX-HNNXBMFYSA-N 2 2 344.507 3.361 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301863129 456236585 /nfs/dbraw/zinc/23/65/85/456236585.db2.gz AQORVSINDGUHMX-HNNXBMFYSA-N 2 2 344.507 3.361 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)[nH]1 ZINC000333616481 456241890 /nfs/dbraw/zinc/24/18/90/456241890.db2.gz XRSFIAXOPSTQOJ-MRXNPFEDSA-N 2 2 327.428 3.341 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)[nH]1 ZINC000333616481 456241897 /nfs/dbraw/zinc/24/18/97/456241897.db2.gz XRSFIAXOPSTQOJ-MRXNPFEDSA-N 2 2 327.428 3.341 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727782 456254561 /nfs/dbraw/zinc/25/45/61/456254561.db2.gz VQJBGDSUCYYFJN-IFXJQAMLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000333727782 456254567 /nfs/dbraw/zinc/25/45/67/456254567.db2.gz VQJBGDSUCYYFJN-IFXJQAMLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(CNc2cc(NCC3CC3)[nH+]cn2)c(N2CCCC2)[nH+]1 ZINC000302034418 456273302 /nfs/dbraw/zinc/27/33/02/456273302.db2.gz DSCHQZPQWVFSQG-UHFFFAOYSA-N 2 2 338.459 3.214 20 0 EGADLP Cc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)c(N2CCCC2)[nH+]1 ZINC000302034418 456273307 /nfs/dbraw/zinc/27/33/07/456273307.db2.gz DSCHQZPQWVFSQG-UHFFFAOYSA-N 2 2 338.459 3.214 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000352765774 456287006 /nfs/dbraw/zinc/28/70/06/456287006.db2.gz SBNRCAJKYOCFBF-CYBMUJFWSA-N 2 2 349.500 3.381 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000334059403 456294589 /nfs/dbraw/zinc/29/45/89/456294589.db2.gz XVTXVQMQXPBYHH-KRXQYRFLSA-N 2 2 344.503 3.213 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000334059403 456294596 /nfs/dbraw/zinc/29/45/96/456294596.db2.gz XVTXVQMQXPBYHH-KRXQYRFLSA-N 2 2 344.503 3.213 20 0 EGADLP CCCOCc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352777661 456297202 /nfs/dbraw/zinc/29/72/02/456297202.db2.gz CCPXBRTUXGUUPA-UHFFFAOYSA-N 2 2 333.501 3.421 20 0 EGADLP Cc1ccc(OC(F)F)c(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352778590 456298176 /nfs/dbraw/zinc/29/81/76/456298176.db2.gz VXJNRBKWMTYWJB-UHFFFAOYSA-N 2 2 341.427 3.404 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340184307 456298162 /nfs/dbraw/zinc/29/81/62/456298162.db2.gz PLTRVBBBMWRYOB-BXWFABGCSA-N 2 2 348.487 3.013 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000336790029 456308989 /nfs/dbraw/zinc/30/89/89/456308989.db2.gz VMYQZSIMYLJVCD-VQIMIIECSA-N 2 2 338.451 3.210 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000336790029 456308992 /nfs/dbraw/zinc/30/89/92/456308992.db2.gz VMYQZSIMYLJVCD-VQIMIIECSA-N 2 2 338.451 3.210 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000337019350 456321215 /nfs/dbraw/zinc/32/12/15/456321215.db2.gz PHEXOOBCVURLOY-GUYCJALGSA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000337019350 456321220 /nfs/dbraw/zinc/32/12/20/456321220.db2.gz PHEXOOBCVURLOY-GUYCJALGSA-N 2 2 328.435 3.166 20 0 EGADLP CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352806911 456325258 /nfs/dbraw/zinc/32/52/58/456325258.db2.gz BEBKUCSUXCXOFW-HNNXBMFYSA-N 2 2 327.428 3.334 20 0 EGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814498 456330995 /nfs/dbraw/zinc/33/09/95/456330995.db2.gz HAKFNVZCDMJDPB-QFIPXVFZSA-N 3 2 341.543 3.460 20 0 EGADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814498 456331000 /nfs/dbraw/zinc/33/10/00/456331000.db2.gz HAKFNVZCDMJDPB-QFIPXVFZSA-N 3 2 341.543 3.460 20 0 EGADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814498 456331007 /nfs/dbraw/zinc/33/10/07/456331007.db2.gz HAKFNVZCDMJDPB-QFIPXVFZSA-N 3 2 341.543 3.460 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCC[NH+]4CCCCC4)C3)C2)cc1 ZINC000352814498 456331012 /nfs/dbraw/zinc/33/10/12/456331012.db2.gz HAKFNVZCDMJDPB-QFIPXVFZSA-N 3 2 341.543 3.460 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817841 456333562 /nfs/dbraw/zinc/33/35/62/456333562.db2.gz SAMUSZHGGZWEKV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817841 456333569 /nfs/dbraw/zinc/33/35/69/456333569.db2.gz SAMUSZHGGZWEKV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817841 456333575 /nfs/dbraw/zinc/33/35/75/456333575.db2.gz SAMUSZHGGZWEKV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000352817841 456333578 /nfs/dbraw/zinc/33/35/78/456333578.db2.gz SAMUSZHGGZWEKV-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)ccc1Br ZINC000290531078 456355794 /nfs/dbraw/zinc/35/57/94/456355794.db2.gz QSNNUYCEUDOPQF-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531078 456355776 /nfs/dbraw/zinc/35/57/76/456355776.db2.gz QSNNUYCEUDOPQF-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531078 456355784 /nfs/dbraw/zinc/35/57/84/456355784.db2.gz QSNNUYCEUDOPQF-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)ccc1Br ZINC000290531078 456355791 /nfs/dbraw/zinc/35/57/91/456355791.db2.gz QSNNUYCEUDOPQF-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352858324 456368581 /nfs/dbraw/zinc/36/85/81/456368581.db2.gz OFIWUSICGZCAQG-HNNXBMFYSA-N 2 2 335.448 3.130 20 0 EGADLP CC[NH+](CC)[C@H](CNc1nc[nH+]c(N)c1Cl)c1ccsc1 ZINC000302774585 456396705 /nfs/dbraw/zinc/39/67/05/456396705.db2.gz DRFDONGJINJKNP-LLVKDONJSA-N 2 2 325.869 3.269 20 0 EGADLP COc1ccccc1[C@H](C[NH2+]CCCc1c[nH+]ccc1C)N(C)C ZINC000347956538 456429178 /nfs/dbraw/zinc/42/91/78/456429178.db2.gz JGZBCHWIJPIIKN-IBGZPJMESA-N 2 2 327.472 3.224 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511145 456464382 /nfs/dbraw/zinc/46/43/82/456464382.db2.gz BLEFVYNVOVSKLJ-AZUAARDMSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511145 456464390 /nfs/dbraw/zinc/46/43/90/456464390.db2.gz BLEFVYNVOVSKLJ-AZUAARDMSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511145 456464396 /nfs/dbraw/zinc/46/43/96/456464396.db2.gz BLEFVYNVOVSKLJ-AZUAARDMSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511145 456464404 /nfs/dbraw/zinc/46/44/04/456464404.db2.gz BLEFVYNVOVSKLJ-AZUAARDMSA-N 2 2 349.563 3.269 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c(F)cn1 ZINC000348099304 456477986 /nfs/dbraw/zinc/47/79/86/456477986.db2.gz BEFDADZLLVOUND-OAHLLOKOSA-N 2 2 331.435 3.402 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(F)cn1 ZINC000348099304 456477988 /nfs/dbraw/zinc/47/79/88/456477988.db2.gz BEFDADZLLVOUND-OAHLLOKOSA-N 2 2 331.435 3.402 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510800 456501009 /nfs/dbraw/zinc/50/10/09/456501009.db2.gz OPQOVCJHVKDIRX-YADHBBJMSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510800 456501018 /nfs/dbraw/zinc/50/10/18/456501018.db2.gz OPQOVCJHVKDIRX-YADHBBJMSA-N 2 2 338.495 3.455 20 0 EGADLP C[C@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613068 456501524 /nfs/dbraw/zinc/50/15/24/456501524.db2.gz OJFQIIMFZZLPFW-HPFXQQBRSA-N 2 2 340.471 3.219 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)ccn12 ZINC000654448462 462228958 /nfs/dbraw/zinc/22/89/58/462228958.db2.gz OJQSIPIDNDPAGN-UHFFFAOYSA-N 2 2 328.460 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)ccn12 ZINC000654448462 462228963 /nfs/dbraw/zinc/22/89/63/462228963.db2.gz OJQSIPIDNDPAGN-UHFFFAOYSA-N 2 2 328.460 3.027 20 0 EGADLP C[C@H]([NH2+]C[C@@](C)(CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348253376 456572699 /nfs/dbraw/zinc/57/26/99/456572699.db2.gz DXYSJHYPWDUZAG-UWJYYQICSA-N 2 2 335.451 3.473 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277414 456591714 /nfs/dbraw/zinc/59/17/14/456591714.db2.gz LYOUNLSMDQQXEO-DOTOQJQBSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277414 456591722 /nfs/dbraw/zinc/59/17/22/456591722.db2.gz LYOUNLSMDQQXEO-DOTOQJQBSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000348277414 456591728 /nfs/dbraw/zinc/59/17/28/456591728.db2.gz LYOUNLSMDQQXEO-DOTOQJQBSA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000348277414 456591734 /nfs/dbraw/zinc/59/17/34/456591734.db2.gz LYOUNLSMDQQXEO-DOTOQJQBSA-N 2 2 347.478 3.125 20 0 EGADLP CC1CC[NH+](CCC[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315110180 456606014 /nfs/dbraw/zinc/60/60/14/456606014.db2.gz YERQSCSFLLUVEP-UHFFFAOYSA-N 2 2 341.293 3.366 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315511427 456609006 /nfs/dbraw/zinc/60/90/06/456609006.db2.gz DVFUGAFWLRODNV-UHFFFAOYSA-N 2 2 327.266 3.119 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000282746394 456611982 /nfs/dbraw/zinc/61/19/82/456611982.db2.gz GMHWCEDYCUQUDB-GOSISDBHSA-N 2 2 341.503 3.190 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000282746394 456611990 /nfs/dbraw/zinc/61/19/90/456611990.db2.gz GMHWCEDYCUQUDB-GOSISDBHSA-N 2 2 341.503 3.190 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000282746394 456611995 /nfs/dbraw/zinc/61/19/95/456611995.db2.gz GMHWCEDYCUQUDB-GOSISDBHSA-N 2 2 341.503 3.190 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000282746394 456612001 /nfs/dbraw/zinc/61/20/01/456612001.db2.gz GMHWCEDYCUQUDB-GOSISDBHSA-N 2 2 341.503 3.190 20 0 EGADLP Clc1cnccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348330386 456628173 /nfs/dbraw/zinc/62/81/73/456628173.db2.gz XHMCOOHLZZEBGS-QZTJIDSGSA-N 2 2 327.859 3.299 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000343461421 456636759 /nfs/dbraw/zinc/63/67/59/456636759.db2.gz AJMZZRKSNKMMIP-FGZHOGPDSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343461421 456636765 /nfs/dbraw/zinc/63/67/65/456636765.db2.gz AJMZZRKSNKMMIP-FGZHOGPDSA-N 2 2 338.495 3.153 20 0 EGADLP OC[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1Cl ZINC000348395828 456664133 /nfs/dbraw/zinc/66/41/33/456664133.db2.gz JZWSEEHRVQSKMS-HNNXBMFYSA-N 2 2 345.874 3.070 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000299352635 456666637 /nfs/dbraw/zinc/66/66/37/456666637.db2.gz PHWFUHSJHNUFQM-NVXWUHKLSA-N 2 2 347.459 3.161 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000299352635 456666642 /nfs/dbraw/zinc/66/66/42/456666642.db2.gz PHWFUHSJHNUFQM-NVXWUHKLSA-N 2 2 347.459 3.161 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)[C@@H]3OCCc4sccc43)n2c1 ZINC000291643257 456705238 /nfs/dbraw/zinc/70/52/38/456705238.db2.gz BRYNRBDSVZOYQU-ACJLOTCBSA-N 2 2 327.453 3.496 20 0 EGADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccoc2C(=O)OC)c1 ZINC000343570164 456711960 /nfs/dbraw/zinc/71/19/60/456711960.db2.gz MBPDKIYXQOMKKX-UHFFFAOYSA-N 2 2 330.428 3.198 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000277212194 456726260 /nfs/dbraw/zinc/72/62/60/456726260.db2.gz NISIMUSBNGBKSK-QGZVFWFLSA-N 2 2 325.456 3.194 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000277212194 456726262 /nfs/dbraw/zinc/72/62/62/456726262.db2.gz NISIMUSBNGBKSK-QGZVFWFLSA-N 2 2 325.456 3.194 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000353539406 456743559 /nfs/dbraw/zinc/74/35/59/456743559.db2.gz XIZAUAXGZXKUDF-HOTGVXAUSA-N 2 2 332.488 3.143 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000353539406 456743564 /nfs/dbraw/zinc/74/35/64/456743564.db2.gz XIZAUAXGZXKUDF-HOTGVXAUSA-N 2 2 332.488 3.143 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543245 456746934 /nfs/dbraw/zinc/74/69/34/456746934.db2.gz AZVLUJYRLNUFNF-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543245 456746942 /nfs/dbraw/zinc/74/69/42/456746942.db2.gz AZVLUJYRLNUFNF-SJLPKXTDSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544714 456748543 /nfs/dbraw/zinc/74/85/43/456748543.db2.gz QAHQTCAXRQXPRN-IEBWSBKVSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544714 456748548 /nfs/dbraw/zinc/74/85/48/456748548.db2.gz QAHQTCAXRQXPRN-IEBWSBKVSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353544714 456748554 /nfs/dbraw/zinc/74/85/54/456748554.db2.gz QAHQTCAXRQXPRN-IEBWSBKVSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544714 456748561 /nfs/dbraw/zinc/74/85/61/456748561.db2.gz QAHQTCAXRQXPRN-IEBWSBKVSA-N 2 2 349.519 3.070 20 0 EGADLP CC[NH+](CC)CCCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000338291694 456750863 /nfs/dbraw/zinc/75/08/63/456750863.db2.gz PEJYIUUPCANLOX-UHFFFAOYSA-N 2 2 330.451 3.101 20 0 EGADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299681585 456763168 /nfs/dbraw/zinc/76/31/68/456763168.db2.gz RXMFMHKBCOVFCC-UHFFFAOYSA-N 2 2 338.455 3.025 20 0 EGADLP c1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000348555095 456765146 /nfs/dbraw/zinc/76/51/46/456765146.db2.gz ZIAYHYMELDLYGC-FQEVSTJZSA-N 2 2 341.524 3.140 20 0 EGADLP c1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000348555095 456765149 /nfs/dbraw/zinc/76/51/49/456765149.db2.gz ZIAYHYMELDLYGC-FQEVSTJZSA-N 2 2 341.524 3.140 20 0 EGADLP O=C(CCn1cc[nH+]c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000299698076 456767169 /nfs/dbraw/zinc/76/71/69/456767169.db2.gz ZDWVVKUSGZGECX-UHFFFAOYSA-N 2 2 335.411 3.112 20 0 EGADLP Cc1ccc2[nH+]c(CN(C)CCC[N@H+](C)Cc3ccco3)cn2c1 ZINC000353576454 456776144 /nfs/dbraw/zinc/77/61/44/456776144.db2.gz QWFNTSTUWDSIPK-UHFFFAOYSA-N 2 2 326.444 3.190 20 0 EGADLP Cc1ccc2[nH+]c(CN(C)CCC[N@@H+](C)Cc3ccco3)cn2c1 ZINC000353576454 456776147 /nfs/dbraw/zinc/77/61/47/456776147.db2.gz QWFNTSTUWDSIPK-UHFFFAOYSA-N 2 2 326.444 3.190 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578895 456777791 /nfs/dbraw/zinc/77/77/91/456777791.db2.gz VFOGMQQNJVQFQO-LXPRWKDFSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353578895 456777798 /nfs/dbraw/zinc/77/77/98/456777798.db2.gz VFOGMQQNJVQFQO-LXPRWKDFSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353578895 456777804 /nfs/dbraw/zinc/77/78/04/456777804.db2.gz VFOGMQQNJVQFQO-LXPRWKDFSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@H](C(=O)NC1CCC(C)CC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353578895 456777808 /nfs/dbraw/zinc/77/78/08/456777808.db2.gz VFOGMQQNJVQFQO-LXPRWKDFSA-N 2 2 349.519 3.117 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579901 456779821 /nfs/dbraw/zinc/77/98/21/456779821.db2.gz XWUBCXDKLPGYPW-MSOLQXFVSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579901 456779827 /nfs/dbraw/zinc/77/98/27/456779827.db2.gz XWUBCXDKLPGYPW-MSOLQXFVSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353579901 456779831 /nfs/dbraw/zinc/77/98/31/456779831.db2.gz XWUBCXDKLPGYPW-MSOLQXFVSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353579901 456779838 /nfs/dbraw/zinc/77/98/38/456779838.db2.gz XWUBCXDKLPGYPW-MSOLQXFVSA-N 2 2 349.519 3.213 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000344128139 456798815 /nfs/dbraw/zinc/79/88/15/456798815.db2.gz JCXCOGPLOHAUIO-SEVLPDGMSA-N 2 2 343.515 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000344128139 456798822 /nfs/dbraw/zinc/79/88/22/456798822.db2.gz JCXCOGPLOHAUIO-SEVLPDGMSA-N 2 2 343.515 3.087 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283581151 456807010 /nfs/dbraw/zinc/80/70/10/456807010.db2.gz WLXCFGQBHFZKGH-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283581151 456807013 /nfs/dbraw/zinc/80/70/13/456807013.db2.gz WLXCFGQBHFZKGH-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nncn1C ZINC000348714419 456825427 /nfs/dbraw/zinc/82/54/27/456825427.db2.gz YQUXUCXKNHSZCL-KBAYOESNSA-N 2 2 333.524 3.145 20 0 EGADLP CCCc1nc(C)c(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)o1 ZINC000292004715 456826659 /nfs/dbraw/zinc/82/66/59/456826659.db2.gz XZCGQWLCQSHPEI-UHFFFAOYSA-N 2 2 349.398 3.072 20 0 EGADLP COc1cc2c(c(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)c1)O[C@H](C)C2 ZINC000353676320 456848069 /nfs/dbraw/zinc/84/80/69/456848069.db2.gz XFZIKWBHFIJCDQ-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)c1)O[C@H](C)C2 ZINC000353676320 456848076 /nfs/dbraw/zinc/84/80/76/456848076.db2.gz XFZIKWBHFIJCDQ-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)c1)O[C@H](C)C2 ZINC000353676320 456848081 /nfs/dbraw/zinc/84/80/81/456848081.db2.gz XFZIKWBHFIJCDQ-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)c1)O[C@H](C)C2 ZINC000353676320 456848087 /nfs/dbraw/zinc/84/80/87/456848087.db2.gz XFZIKWBHFIJCDQ-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513414 456848987 /nfs/dbraw/zinc/84/89/87/456848987.db2.gz RIBFTQGCROTULT-DZGCQCFKSA-N 2 2 348.384 3.014 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513414 456848990 /nfs/dbraw/zinc/84/89/90/456848990.db2.gz RIBFTQGCROTULT-DZGCQCFKSA-N 2 2 348.384 3.014 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000348803738 456862392 /nfs/dbraw/zinc/86/23/92/456862392.db2.gz CNSQGMURZKIURD-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cn1 ZINC000348803738 456862394 /nfs/dbraw/zinc/86/23/94/456862394.db2.gz CNSQGMURZKIURD-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cn1 ZINC000348803738 456862395 /nfs/dbraw/zinc/86/23/95/456862395.db2.gz CNSQGMURZKIURD-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000348803738 456862397 /nfs/dbraw/zinc/86/23/97/456862397.db2.gz CNSQGMURZKIURD-UHFFFAOYSA-N 2 2 344.503 3.473 20 0 EGADLP Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000341468268 456867085 /nfs/dbraw/zinc/86/70/85/456867085.db2.gz DQIFOUFEALQIJM-VMPITWQZSA-N 2 2 334.467 3.498 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749584 456887881 /nfs/dbraw/zinc/88/78/81/456887881.db2.gz VQZWYVGLXCAVMT-CABCVRRESA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749584 456887884 /nfs/dbraw/zinc/88/78/84/456887884.db2.gz VQZWYVGLXCAVMT-CABCVRRESA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749584 456887887 /nfs/dbraw/zinc/88/78/87/456887887.db2.gz VQZWYVGLXCAVMT-CABCVRRESA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749584 456887891 /nfs/dbraw/zinc/88/78/91/456887891.db2.gz VQZWYVGLXCAVMT-CABCVRRESA-N 2 2 336.476 3.017 20 0 EGADLP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574087 456910755 /nfs/dbraw/zinc/91/07/55/456910755.db2.gz JOWMFONNRSMGAT-JTDSTZFVSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@H]3CCC[NH+]3C3CCCC3)n1)OC2 ZINC000329574087 456910760 /nfs/dbraw/zinc/91/07/60/456910760.db2.gz JOWMFONNRSMGAT-JTDSTZFVSA-N 2 2 346.475 3.075 20 0 EGADLP C[C@]12CCC[NH+]1C[C@@H](c1noc([C@H]3CCC[N@@H+]3C3CCCC3)n1)OC2 ZINC000329574087 456910763 /nfs/dbraw/zinc/91/07/63/456910763.db2.gz JOWMFONNRSMGAT-JTDSTZFVSA-N 2 2 346.475 3.075 20 0 EGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000353918270 456964478 /nfs/dbraw/zinc/96/44/78/456964478.db2.gz SXQZUZJMMKORKL-MOPGFXCFSA-N 2 2 327.472 3.269 20 0 EGADLP Clc1oc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000349545636 456984960 /nfs/dbraw/zinc/98/49/60/456984960.db2.gz RNBNAMJOODELQU-UHFFFAOYSA-N 2 2 347.890 3.300 20 0 EGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353999268 456997837 /nfs/dbraw/zinc/99/78/37/456997837.db2.gz ZSPXQFLXFAXURG-WJXKREEZSA-N 2 2 337.552 3.120 20 0 EGADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353999268 456997839 /nfs/dbraw/zinc/99/78/39/456997839.db2.gz ZSPXQFLXFAXURG-WJXKREEZSA-N 2 2 337.552 3.120 20 0 EGADLP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354039340 457027222 /nfs/dbraw/zinc/02/72/22/457027222.db2.gz RFGPDYZCQCXDHL-LJQANCHMSA-N 2 2 337.552 3.079 20 0 EGADLP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354039340 457027227 /nfs/dbraw/zinc/02/72/27/457027227.db2.gz RFGPDYZCQCXDHL-LJQANCHMSA-N 2 2 337.552 3.079 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000346472055 457046017 /nfs/dbraw/zinc/04/60/17/457046017.db2.gz AQGHMJSMIQMSDR-RHSMWYFYSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000346472055 457046021 /nfs/dbraw/zinc/04/60/21/457046021.db2.gz AQGHMJSMIQMSDR-RHSMWYFYSA-N 2 2 343.402 3.009 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346498860 457047764 /nfs/dbraw/zinc/04/77/64/457047764.db2.gz KRPGBSDHMIIIPP-CXAGYDPISA-N 2 2 345.830 3.215 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346498860 457047768 /nfs/dbraw/zinc/04/77/68/457047768.db2.gz KRPGBSDHMIIIPP-CXAGYDPISA-N 2 2 345.830 3.215 20 0 EGADLP Cc1[nH+]cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087839 457054656 /nfs/dbraw/zinc/05/46/56/457054656.db2.gz HAASWFPGKMUUEJ-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1[nH+]cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087839 457054662 /nfs/dbraw/zinc/05/46/62/457054662.db2.gz HAASWFPGKMUUEJ-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087839 457054666 /nfs/dbraw/zinc/05/46/66/457054666.db2.gz HAASWFPGKMUUEJ-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087839 457054672 /nfs/dbraw/zinc/05/46/72/457054672.db2.gz HAASWFPGKMUUEJ-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087839 457054679 /nfs/dbraw/zinc/05/46/79/457054679.db2.gz HAASWFPGKMUUEJ-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1-c1ccccc1 ZINC000354087839 457054684 /nfs/dbraw/zinc/05/46/84/457054684.db2.gz HAASWFPGKMUUEJ-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354099427 457062206 /nfs/dbraw/zinc/06/22/06/457062206.db2.gz DPEIMRPOSVNAHD-GOSISDBHSA-N 2 2 332.536 3.419 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354099427 457062214 /nfs/dbraw/zinc/06/22/14/457062214.db2.gz DPEIMRPOSVNAHD-GOSISDBHSA-N 2 2 332.536 3.419 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354099427 457062220 /nfs/dbraw/zinc/06/22/20/457062220.db2.gz DPEIMRPOSVNAHD-GOSISDBHSA-N 2 2 332.536 3.419 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354099427 457062225 /nfs/dbraw/zinc/06/22/25/457062225.db2.gz DPEIMRPOSVNAHD-GOSISDBHSA-N 2 2 332.536 3.419 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H]([NH2+]CC2([NH3+])CCC2)c2ccccc2)c1 ZINC000342125187 457121952 /nfs/dbraw/zinc/12/19/52/457121952.db2.gz DBGWAGMZDOYDAY-LJQANCHMSA-N 2 2 337.467 3.454 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000354256900 457158322 /nfs/dbraw/zinc/15/83/22/457158322.db2.gz XAWIKKWSXLQZFQ-RTBURBONSA-N 2 2 349.563 3.218 20 0 EGADLP CN(C(=O)C1CC(C)(C)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000354256900 457158325 /nfs/dbraw/zinc/15/83/25/457158325.db2.gz XAWIKKWSXLQZFQ-RTBURBONSA-N 2 2 349.563 3.218 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356909738 457212484 /nfs/dbraw/zinc/21/24/84/457212484.db2.gz YQLKMAUHEDIFTK-UHFFFAOYSA-N 3 2 335.458 3.113 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)n21 ZINC000342299578 457222167 /nfs/dbraw/zinc/22/21/67/457222167.db2.gz BQFBGVLERFJCKE-XLIONFOSSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)n21 ZINC000342299578 457222173 /nfs/dbraw/zinc/22/21/73/457222173.db2.gz BQFBGVLERFJCKE-XLIONFOSSA-N 2 2 334.467 3.395 20 0 EGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1OC ZINC000347096188 457227190 /nfs/dbraw/zinc/22/71/90/457227190.db2.gz IZELLMDBKUUKMO-UHFFFAOYSA-N 2 2 332.488 3.448 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Oc3cnccn3)cc1)CCC2 ZINC000363168236 457243853 /nfs/dbraw/zinc/24/38/53/457243853.db2.gz VTAUWSVGISCMGW-QGZVFWFLSA-N 2 2 349.438 3.441 20 0 EGADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000331790538 457252178 /nfs/dbraw/zinc/25/21/78/457252178.db2.gz KCBOGQKNHZVNNL-HUUCEWRRSA-N 2 2 340.427 3.430 20 0 EGADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000331790538 457252182 /nfs/dbraw/zinc/25/21/82/457252182.db2.gz KCBOGQKNHZVNNL-HUUCEWRRSA-N 2 2 340.427 3.430 20 0 EGADLP CCOC(=O)CC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000347167715 457267979 /nfs/dbraw/zinc/26/79/79/457267979.db2.gz MUXOPDQNEKLGPL-GOSISDBHSA-N 2 2 332.488 3.002 20 0 EGADLP CCOC(=O)CC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000347167715 457267985 /nfs/dbraw/zinc/26/79/85/457267985.db2.gz MUXOPDQNEKLGPL-GOSISDBHSA-N 2 2 332.488 3.002 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000363300100 457287608 /nfs/dbraw/zinc/28/76/08/457287608.db2.gz XUOJLLKKFWSDKD-MRXNPFEDSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000363300100 457287615 /nfs/dbraw/zinc/28/76/15/457287615.db2.gz XUOJLLKKFWSDKD-MRXNPFEDSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347216184 457292557 /nfs/dbraw/zinc/29/25/57/457292557.db2.gz RCKBQRMSRRREMK-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H]1C[NH3+] ZINC000347216184 457292559 /nfs/dbraw/zinc/29/25/59/457292559.db2.gz RCKBQRMSRRREMK-OXJNMPFZSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1C[NH3+] ZINC000347216183 457292828 /nfs/dbraw/zinc/29/28/28/457292828.db2.gz RCKBQRMSRRREMK-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1C[NH3+] ZINC000347216183 457292831 /nfs/dbraw/zinc/29/28/31/457292831.db2.gz RCKBQRMSRRREMK-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[NH+](C2CCC2)CC1 ZINC000354650741 457297759 /nfs/dbraw/zinc/29/77/59/457297759.db2.gz BRYAFUFHOTUGBM-UHFFFAOYSA-N 2 2 339.439 3.086 20 0 EGADLP CCn1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000347269952 457322737 /nfs/dbraw/zinc/32/27/37/457322737.db2.gz KEOKTBRLUXTOPX-HNNXBMFYSA-N 2 2 342.491 3.002 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363459106 457337187 /nfs/dbraw/zinc/33/71/87/457337187.db2.gz HFPIVAMWAUIBNI-ZDUSSCGKSA-N 2 2 325.865 3.370 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000363459106 457337190 /nfs/dbraw/zinc/33/71/90/457337190.db2.gz HFPIVAMWAUIBNI-ZDUSSCGKSA-N 2 2 325.865 3.370 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000352342801 457357437 /nfs/dbraw/zinc/35/74/37/457357437.db2.gz YPGVZBKNHOWWDT-UHFFFAOYSA-N 2 2 325.456 3.370 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000342561644 457366991 /nfs/dbraw/zinc/36/69/91/457366991.db2.gz WLQJZSXMDGGGIN-INIZCTEOSA-N 2 2 348.487 3.072 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363565315 457367167 /nfs/dbraw/zinc/36/71/67/457367167.db2.gz CKXRZIQSIQKDGP-WMLDXEAASA-N 2 2 342.443 3.015 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000363565315 457367169 /nfs/dbraw/zinc/36/71/69/457367169.db2.gz CKXRZIQSIQKDGP-WMLDXEAASA-N 2 2 342.443 3.015 20 0 EGADLP CCc1ccc([C@@H](CC)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360896753 457418286 /nfs/dbraw/zinc/41/82/86/457418286.db2.gz IHKYXGWLEPMDMM-WOJBJXKFSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](CC)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360896753 457418291 /nfs/dbraw/zinc/41/82/91/457418291.db2.gz IHKYXGWLEPMDMM-WOJBJXKFSA-N 2 2 345.531 3.232 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n(C)n1 ZINC000391074643 457449366 /nfs/dbraw/zinc/44/93/66/457449366.db2.gz QURGVDNHMAQBKN-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n(C)n1 ZINC000391074643 457449369 /nfs/dbraw/zinc/44/93/69/457449369.db2.gz QURGVDNHMAQBKN-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1cccc2[nH+]ccn21 ZINC000342706697 457469445 /nfs/dbraw/zinc/46/94/45/457469445.db2.gz RIYNZUQXCDESQW-UHFFFAOYSA-N 2 2 325.412 3.374 20 0 EGADLP CC[N@H+](Cc1ccc(OC)cc1OC)Cc1cccc2[nH+]ccn21 ZINC000342706697 457469449 /nfs/dbraw/zinc/46/94/49/457469449.db2.gz RIYNZUQXCDESQW-UHFFFAOYSA-N 2 2 325.412 3.374 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000374141286 457493725 /nfs/dbraw/zinc/49/37/25/457493725.db2.gz HGTGJHFHSWYBPC-CQSZACIVSA-N 2 2 332.879 3.389 20 0 EGADLP Cc1cncc(CC[NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000402724884 457532747 /nfs/dbraw/zinc/53/27/47/457532747.db2.gz OSNSQHRPRYNWMT-HXUWFJFHSA-N 2 2 326.488 3.074 20 0 EGADLP Cc1cncc(CC[NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000402724884 457532756 /nfs/dbraw/zinc/53/27/56/457532756.db2.gz OSNSQHRPRYNWMT-HXUWFJFHSA-N 2 2 326.488 3.074 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361062417 457556957 /nfs/dbraw/zinc/55/69/57/457556957.db2.gz LTEDXMXZLZWFKP-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073836 457565032 /nfs/dbraw/zinc/56/50/32/457565032.db2.gz NMCRAPLOAHWVOI-IAGOWNOFSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000361087720 457575750 /nfs/dbraw/zinc/57/57/50/457575750.db2.gz UEIKHWTVGDNVKW-HXUWFJFHSA-N 2 2 325.456 3.001 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000361087720 457575756 /nfs/dbraw/zinc/57/57/56/457575756.db2.gz UEIKHWTVGDNVKW-HXUWFJFHSA-N 2 2 325.456 3.001 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000361087719 457575911 /nfs/dbraw/zinc/57/59/11/457575911.db2.gz UEIKHWTVGDNVKW-FQEVSTJZSA-N 2 2 325.456 3.001 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000361087719 457575916 /nfs/dbraw/zinc/57/59/16/457575916.db2.gz UEIKHWTVGDNVKW-FQEVSTJZSA-N 2 2 325.456 3.001 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000364453955 457609812 /nfs/dbraw/zinc/60/98/12/457609812.db2.gz BYVSCTNDEAXIBG-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181603 457633166 /nfs/dbraw/zinc/63/31/66/457633166.db2.gz ORRLJFZMURLECY-GJZGRUSLSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181603 457633170 /nfs/dbraw/zinc/63/31/70/457633170.db2.gz ORRLJFZMURLECY-GJZGRUSLSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181603 457633177 /nfs/dbraw/zinc/63/31/77/457633177.db2.gz ORRLJFZMURLECY-GJZGRUSLSA-N 2 2 340.462 3.444 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000361181603 457633183 /nfs/dbraw/zinc/63/31/83/457633183.db2.gz ORRLJFZMURLECY-GJZGRUSLSA-N 2 2 340.462 3.444 20 0 EGADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361232262 457658619 /nfs/dbraw/zinc/65/86/19/457658619.db2.gz XWJFZFRNAUQUAY-RTBURBONSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361232262 457658623 /nfs/dbraw/zinc/65/86/23/457658623.db2.gz XWJFZFRNAUQUAY-RTBURBONSA-N 2 2 331.504 3.012 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)[NH+](CC)CC ZINC000361315332 457689943 /nfs/dbraw/zinc/68/99/43/457689943.db2.gz ULOLYDSREARJGW-RDJZCZTQSA-N 2 2 337.533 3.074 20 0 EGADLP CSc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370724795 457707880 /nfs/dbraw/zinc/70/78/80/457707880.db2.gz MJLRCSQPOMLPQN-OAHLLOKOSA-N 2 2 331.485 3.400 20 0 EGADLP CSc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000370724795 457707885 /nfs/dbraw/zinc/70/78/85/457707885.db2.gz MJLRCSQPOMLPQN-OAHLLOKOSA-N 2 2 331.485 3.400 20 0 EGADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc2[nH+]ccn2c1)[NH+](C)C ZINC000357885037 457723782 /nfs/dbraw/zinc/72/37/82/457723782.db2.gz ZFHRAQBGMMENQF-HNAYVOBHSA-N 2 2 336.439 3.064 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000361442230 457733596 /nfs/dbraw/zinc/73/35/96/457733596.db2.gz ZMGWJZHLKMDJTR-INIZCTEOSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000361442230 457733601 /nfs/dbraw/zinc/73/36/01/457733601.db2.gz ZMGWJZHLKMDJTR-INIZCTEOSA-N 2 2 333.442 3.010 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358016992 457740585 /nfs/dbraw/zinc/74/05/85/457740585.db2.gz NMHJDUIEXLJQTM-IERDGZPVSA-N 2 2 338.499 3.186 20 0 EGADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358016992 457740588 /nfs/dbraw/zinc/74/05/88/457740588.db2.gz NMHJDUIEXLJQTM-IERDGZPVSA-N 2 2 338.499 3.186 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000361470977 457742302 /nfs/dbraw/zinc/74/23/02/457742302.db2.gz WSINKERLSOLOPH-FQEVSTJZSA-N 2 2 348.450 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000361470977 457742305 /nfs/dbraw/zinc/74/23/05/457742305.db2.gz WSINKERLSOLOPH-FQEVSTJZSA-N 2 2 348.450 3.229 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040070 457748324 /nfs/dbraw/zinc/74/83/24/457748324.db2.gz BMOCOPPOZFWCCI-VGOFRKELSA-N 2 2 335.495 3.297 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000358040070 457748327 /nfs/dbraw/zinc/74/83/27/457748327.db2.gz BMOCOPPOZFWCCI-VGOFRKELSA-N 2 2 335.495 3.297 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000426348312 457808770 /nfs/dbraw/zinc/80/87/70/457808770.db2.gz QHTKMXPRXLRHCG-MAUKXSAKSA-N 2 2 342.487 3.331 20 0 EGADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000426348312 457808774 /nfs/dbraw/zinc/80/87/74/457808774.db2.gz QHTKMXPRXLRHCG-MAUKXSAKSA-N 2 2 342.487 3.331 20 0 EGADLP c1ccc2c(c1)ccnc2C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358139594 457810268 /nfs/dbraw/zinc/81/02/68/457810268.db2.gz KNOWXBPUXJTYJM-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP Fc1ccc2c(c1)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CCO2 ZINC000426525099 457848787 /nfs/dbraw/zinc/84/87/87/457848787.db2.gz RKDJEHLUMQGUBK-UHFFFAOYSA-N 2 2 329.400 3.468 20 0 EGADLP Fc1ccc2c(c1)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CCO2 ZINC000426525099 457848793 /nfs/dbraw/zinc/84/87/93/457848793.db2.gz RKDJEHLUMQGUBK-UHFFFAOYSA-N 2 2 329.400 3.468 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1Cl ZINC000371291935 457852062 /nfs/dbraw/zinc/85/20/62/457852062.db2.gz AIDGGCJHDWMZHB-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)cc1Cl ZINC000371291935 457852064 /nfs/dbraw/zinc/85/20/64/457852064.db2.gz AIDGGCJHDWMZHB-HYVNUMGLSA-N 2 2 326.843 3.163 20 0 EGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358236989 457879024 /nfs/dbraw/zinc/87/90/24/457879024.db2.gz VOMUJVQSUMLREJ-HXUWFJFHSA-N 2 2 325.431 3.462 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000358266435 457898958 /nfs/dbraw/zinc/89/89/58/457898958.db2.gz MLFNOWHQOUBYGU-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(N)c2ccccc2n1 ZINC000411550326 457916700 /nfs/dbraw/zinc/91/67/00/457916700.db2.gz KGRQEFAVTFIJAP-WBVHZDCISA-N 2 2 341.503 3.033 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(F)c1 ZINC000358308755 457924591 /nfs/dbraw/zinc/92/45/91/457924591.db2.gz YXGHKSPZBSNCHY-YWZLYKJASA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(F)c1 ZINC000358308755 457924598 /nfs/dbraw/zinc/92/45/98/457924598.db2.gz YXGHKSPZBSNCHY-YWZLYKJASA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(F)c1 ZINC000358308746 457924782 /nfs/dbraw/zinc/92/47/82/457924782.db2.gz YXGHKSPZBSNCHY-MGPUTAFESA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(F)c1 ZINC000358308746 457924789 /nfs/dbraw/zinc/92/47/89/457924789.db2.gz YXGHKSPZBSNCHY-MGPUTAFESA-N 2 2 343.446 3.230 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328443 457936845 /nfs/dbraw/zinc/93/68/45/457936845.db2.gz LTVLCPZDJJFEQT-ZCLUNYJNSA-N 2 2 346.515 3.242 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328443 457936853 /nfs/dbraw/zinc/93/68/53/457936853.db2.gz LTVLCPZDJJFEQT-ZCLUNYJNSA-N 2 2 346.515 3.242 20 0 EGADLP CCC(CC)[C@H](CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)OC ZINC000358345367 457947812 /nfs/dbraw/zinc/94/78/12/457947812.db2.gz NMJFLBMEESLTAW-FQEVSTJZSA-N 2 2 333.520 3.477 20 0 EGADLP COc1cccc(C2([NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000371482009 457954770 /nfs/dbraw/zinc/95/47/70/457954770.db2.gz XNGOTNCBPBOHJW-UHFFFAOYSA-N 2 2 337.467 3.334 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929752 457962499 /nfs/dbraw/zinc/96/24/99/457962499.db2.gz ZOMLJKFGPHBNHI-QAPCUYQASA-N 2 2 329.513 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000361929752 457962501 /nfs/dbraw/zinc/96/25/01/457962501.db2.gz ZOMLJKFGPHBNHI-QAPCUYQASA-N 2 2 329.513 3.358 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599172 457965901 /nfs/dbraw/zinc/96/59/01/457965901.db2.gz UKKIUDMPYZEFCN-SJLPKXTDSA-N 2 2 334.508 3.122 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599172 457965905 /nfs/dbraw/zinc/96/59/05/457965905.db2.gz UKKIUDMPYZEFCN-SJLPKXTDSA-N 2 2 334.508 3.122 20 0 EGADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411821566 457986485 /nfs/dbraw/zinc/98/64/85/457986485.db2.gz UDBAXJOJSPLFOJ-UHFFFAOYSA-N 2 2 332.275 3.252 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(C)cc1 ZINC000361973394 457987403 /nfs/dbraw/zinc/98/74/03/457987403.db2.gz WZYVRSJOMRTQHG-IEZWGBDMSA-N 2 2 341.503 3.408 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663248 458009825 /nfs/dbraw/zinc/00/98/25/458009825.db2.gz JFAQIVIRZGRFLD-DOTOQJQBSA-N 2 2 342.439 3.239 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663248 458009828 /nfs/dbraw/zinc/00/98/28/458009828.db2.gz JFAQIVIRZGRFLD-DOTOQJQBSA-N 2 2 342.439 3.239 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427861415 458045237 /nfs/dbraw/zinc/04/52/37/458045237.db2.gz SUWZCIQJJQUIHX-NWDGAFQWSA-N 2 2 335.835 3.219 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(Cl)c3Cl)C2)CC1 ZINC000368896079 458064408 /nfs/dbraw/zinc/06/44/08/458064408.db2.gz LORSLZFHLCLCSZ-CYBMUJFWSA-N 2 2 348.343 3.267 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(Cl)c3Cl)C2)CC1 ZINC000368896079 458064412 /nfs/dbraw/zinc/06/44/12/458064412.db2.gz LORSLZFHLCLCSZ-CYBMUJFWSA-N 2 2 348.343 3.267 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428052699 458072331 /nfs/dbraw/zinc/07/23/31/458072331.db2.gz ZNPHMLLJRJCXOE-ZLDLUXBVSA-N 2 2 332.835 3.135 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428052699 458072335 /nfs/dbraw/zinc/07/23/35/458072335.db2.gz ZNPHMLLJRJCXOE-ZLDLUXBVSA-N 2 2 332.835 3.135 20 0 EGADLP Cn1cc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2)cn1 ZINC000371808305 458082798 /nfs/dbraw/zinc/08/27/98/458082798.db2.gz HNSWKEWUEPDZFO-NRFANRHFSA-N 2 2 347.466 3.163 20 0 EGADLP C[C@H]1CN(Cc2cc(F)ccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000445805635 458090750 /nfs/dbraw/zinc/09/07/50/458090750.db2.gz MUSRTDOUNANUPY-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2cc(F)ccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000445805635 458090760 /nfs/dbraw/zinc/09/07/60/458090760.db2.gz MUSRTDOUNANUPY-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000435377134 458126435 /nfs/dbraw/zinc/12/64/35/458126435.db2.gz YIPHHXBQTQTFLF-CYBMUJFWSA-N 2 2 326.868 3.308 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000435377134 458126442 /nfs/dbraw/zinc/12/64/42/458126442.db2.gz YIPHHXBQTQTFLF-CYBMUJFWSA-N 2 2 326.868 3.308 20 0 EGADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000435385473 458132662 /nfs/dbraw/zinc/13/26/62/458132662.db2.gz QGXHDFLDMRYRNU-UHFFFAOYSA-N 2 2 340.515 3.413 20 0 EGADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1CC[NH2+]CC1 ZINC000435385473 458132666 /nfs/dbraw/zinc/13/26/66/458132666.db2.gz QGXHDFLDMRYRNU-UHFFFAOYSA-N 2 2 340.515 3.413 20 0 EGADLP CCc1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000428421287 458139919 /nfs/dbraw/zinc/13/99/19/458139919.db2.gz LCPLLKZKINEGMP-LPHOPBHVSA-N 2 2 328.460 3.065 20 0 EGADLP CCc1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)o1 ZINC000428421287 458139923 /nfs/dbraw/zinc/13/99/23/458139923.db2.gz LCPLLKZKINEGMP-LPHOPBHVSA-N 2 2 328.460 3.065 20 0 EGADLP CCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)o1 ZINC000428421287 458139927 /nfs/dbraw/zinc/13/99/27/458139927.db2.gz LCPLLKZKINEGMP-LPHOPBHVSA-N 2 2 328.460 3.065 20 0 EGADLP CCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000428421287 458139930 /nfs/dbraw/zinc/13/99/30/458139930.db2.gz LCPLLKZKINEGMP-LPHOPBHVSA-N 2 2 328.460 3.065 20 0 EGADLP CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435618058 458174302 /nfs/dbraw/zinc/17/43/02/458174302.db2.gz PMIBLQWNIYGMKH-HNNXBMFYSA-N 2 2 337.895 3.359 20 0 EGADLP CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435618058 458174306 /nfs/dbraw/zinc/17/43/06/458174306.db2.gz PMIBLQWNIYGMKH-HNNXBMFYSA-N 2 2 337.895 3.359 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622233 458174417 /nfs/dbraw/zinc/17/44/17/458174417.db2.gz CIFFGDXCAZNCCX-CTNGQTDRSA-N 2 2 343.515 3.108 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622233 458174424 /nfs/dbraw/zinc/17/44/24/458174424.db2.gz CIFFGDXCAZNCCX-CTNGQTDRSA-N 2 2 343.515 3.108 20 0 EGADLP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369334845 458175565 /nfs/dbraw/zinc/17/55/65/458175565.db2.gz JEWNDFRUIQKCAH-ICSRJNTNSA-N 2 2 349.563 3.220 20 0 EGADLP CC[C@@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369334845 458175569 /nfs/dbraw/zinc/17/55/69/458175569.db2.gz JEWNDFRUIQKCAH-ICSRJNTNSA-N 2 2 349.563 3.220 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+](CC)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435630441 458177068 /nfs/dbraw/zinc/17/70/68/458177068.db2.gz XCOUVEYHUGIFQY-KRWDZBQOSA-N 2 2 328.460 3.263 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+](CC)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435630441 458177075 /nfs/dbraw/zinc/17/70/75/458177075.db2.gz XCOUVEYHUGIFQY-KRWDZBQOSA-N 2 2 328.460 3.263 20 0 EGADLP CC(C)c1noc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435698029 458186148 /nfs/dbraw/zinc/18/61/48/458186148.db2.gz UWGVRAUPQIPUCZ-OAHLLOKOSA-N 2 2 346.500 3.399 20 0 EGADLP CC(C)c1noc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435698029 458186154 /nfs/dbraw/zinc/18/61/54/458186154.db2.gz UWGVRAUPQIPUCZ-OAHLLOKOSA-N 2 2 346.500 3.399 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000412557227 458232830 /nfs/dbraw/zinc/23/28/30/458232830.db2.gz IBBZMAKRNXSHSI-LJQANCHMSA-N 2 2 341.430 3.100 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000412557227 458232838 /nfs/dbraw/zinc/23/28/38/458232838.db2.gz IBBZMAKRNXSHSI-LJQANCHMSA-N 2 2 341.430 3.100 20 0 EGADLP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000446938676 458248495 /nfs/dbraw/zinc/24/84/95/458248495.db2.gz JTRXDPONCZJRDV-RBUKOAKNSA-N 2 2 336.545 3.255 20 0 EGADLP CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000447165284 458269880 /nfs/dbraw/zinc/26/98/80/458269880.db2.gz FWUWFZWABGBBFI-UHFFFAOYSA-N 2 2 348.491 3.053 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429133470 458277605 /nfs/dbraw/zinc/27/76/05/458277605.db2.gz GZYZQRIBZQRGGC-CYBMUJFWSA-N 2 2 336.842 3.195 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000429133470 458277611 /nfs/dbraw/zinc/27/76/11/458277611.db2.gz GZYZQRIBZQRGGC-CYBMUJFWSA-N 2 2 336.842 3.195 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330232 458278596 /nfs/dbraw/zinc/27/85/96/458278596.db2.gz FQPRYQYWXLEOEO-CTNGQTDRSA-N 2 2 329.532 3.070 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000372330232 458278599 /nfs/dbraw/zinc/27/85/99/458278599.db2.gz FQPRYQYWXLEOEO-CTNGQTDRSA-N 2 2 329.532 3.070 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364201 458290589 /nfs/dbraw/zinc/29/05/89/458290589.db2.gz DSBIFXONWJHXTF-QAPCUYQASA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364201 458290593 /nfs/dbraw/zinc/29/05/93/458290593.db2.gz DSBIFXONWJHXTF-QAPCUYQASA-N 2 2 326.488 3.432 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3c(OC)cccc23)C1 ZINC000436429044 458304049 /nfs/dbraw/zinc/30/40/49/458304049.db2.gz FWHALAJNYMHXID-INIZCTEOSA-N 2 2 343.471 3.181 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000447542406 458307669 /nfs/dbraw/zinc/30/76/69/458307669.db2.gz JEEFKTATVMDHFM-AEGPPILISA-N 2 2 334.460 3.214 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000447542406 458307672 /nfs/dbraw/zinc/30/76/72/458307672.db2.gz JEEFKTATVMDHFM-AEGPPILISA-N 2 2 334.460 3.214 20 0 EGADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000447597691 458318673 /nfs/dbraw/zinc/31/86/73/458318673.db2.gz GAIYDLFOCRUCHV-IIBYNOLFSA-N 2 2 343.515 3.033 20 0 EGADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000447597691 458318679 /nfs/dbraw/zinc/31/86/79/458318679.db2.gz GAIYDLFOCRUCHV-IIBYNOLFSA-N 2 2 343.515 3.033 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)c[nH+]1 ZINC000459360006 458343862 /nfs/dbraw/zinc/34/38/62/458343862.db2.gz DAFVDUQJTZVPBB-UHFFFAOYSA-N 3 2 347.466 3.085 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCO[C@H](C(C)(C)C)C2)CCO1 ZINC000447843775 458354410 /nfs/dbraw/zinc/35/44/10/458354410.db2.gz NWCKISQXRSFOFY-VUOWKATKSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C/C[N@H+]2CCO[C@H](C(C)(C)C)C2)CCO1 ZINC000447843775 458354412 /nfs/dbraw/zinc/35/44/12/458354412.db2.gz NWCKISQXRSFOFY-VUOWKATKSA-N 2 2 338.536 3.036 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459462375 458379000 /nfs/dbraw/zinc/37/90/00/458379000.db2.gz LFCSHDYEWYLITQ-GOSISDBHSA-N 3 2 338.499 3.231 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459462375 458379006 /nfs/dbraw/zinc/37/90/06/458379006.db2.gz LFCSHDYEWYLITQ-GOSISDBHSA-N 3 2 338.499 3.231 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032692 458381877 /nfs/dbraw/zinc/38/18/77/458381877.db2.gz XHXPCJWKVZTKPH-MOPGFXCFSA-N 2 2 349.563 3.364 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CCCCC1 ZINC000448032692 458381880 /nfs/dbraw/zinc/38/18/80/458381880.db2.gz XHXPCJWKVZTKPH-MOPGFXCFSA-N 2 2 349.563 3.364 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448032501 458382154 /nfs/dbraw/zinc/38/21/54/458382154.db2.gz WUVRSMIGDUBAAG-CRAIPNDOSA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448032501 458382157 /nfs/dbraw/zinc/38/21/57/458382157.db2.gz WUVRSMIGDUBAAG-CRAIPNDOSA-N 2 2 347.503 3.122 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559925 458411174 /nfs/dbraw/zinc/41/11/74/458411174.db2.gz ISNCHELZCSMRJO-LEWJYISDSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559925 458411178 /nfs/dbraw/zinc/41/11/78/458411178.db2.gz ISNCHELZCSMRJO-LEWJYISDSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559925 458411182 /nfs/dbraw/zinc/41/11/82/458411182.db2.gz ISNCHELZCSMRJO-LEWJYISDSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559925 458411185 /nfs/dbraw/zinc/41/11/85/458411185.db2.gz ISNCHELZCSMRJO-LEWJYISDSA-N 2 2 348.494 3.308 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)sc1Br ZINC000430149587 458411575 /nfs/dbraw/zinc/41/15/75/458411575.db2.gz NJBROWCGWRZFIE-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)sc1Br ZINC000430149587 458411580 /nfs/dbraw/zinc/41/15/80/458411580.db2.gz NJBROWCGWRZFIE-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)sc1Br ZINC000430149587 458411584 /nfs/dbraw/zinc/41/15/84/458411584.db2.gz NJBROWCGWRZFIE-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)sc1Br ZINC000430149587 458411587 /nfs/dbraw/zinc/41/15/87/458411587.db2.gz NJBROWCGWRZFIE-CQSZACIVSA-N 2 2 329.307 3.347 20 0 EGADLP CSC[C@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430192596 458418632 /nfs/dbraw/zinc/41/86/32/458418632.db2.gz OZLFVHZEYMWAJF-AWEZNQCLSA-N 2 2 339.574 3.485 20 0 EGADLP CSC[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430192596 458418636 /nfs/dbraw/zinc/41/86/36/458418636.db2.gz OZLFVHZEYMWAJF-AWEZNQCLSA-N 2 2 339.574 3.485 20 0 EGADLP CSC[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000430192596 458418638 /nfs/dbraw/zinc/41/86/38/458418638.db2.gz OZLFVHZEYMWAJF-AWEZNQCLSA-N 2 2 339.574 3.485 20 0 EGADLP CSC[C@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000430192596 458418641 /nfs/dbraw/zinc/41/86/41/458418641.db2.gz OZLFVHZEYMWAJF-AWEZNQCLSA-N 2 2 339.574 3.485 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105819 458427351 /nfs/dbraw/zinc/42/73/51/458427351.db2.gz FGDNAVVRQAFSPP-PCCBWWKXSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105819 458427356 /nfs/dbraw/zinc/42/73/56/458427356.db2.gz FGDNAVVRQAFSPP-PCCBWWKXSA-N 3 2 341.543 3.361 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000423444517 458434746 /nfs/dbraw/zinc/43/47/46/458434746.db2.gz XRNNEHPMHVLJIK-RBUKOAKNSA-N 2 2 338.451 3.386 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCCC1 ZINC000423510076 458447391 /nfs/dbraw/zinc/44/73/91/458447391.db2.gz RZFKBUCOAFAUPO-NCYKPQTJSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CCCC1 ZINC000423510076 458447397 /nfs/dbraw/zinc/44/73/97/458447397.db2.gz RZFKBUCOAFAUPO-NCYKPQTJSA-N 3 2 327.516 3.004 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423516802 458448783 /nfs/dbraw/zinc/44/87/83/458448783.db2.gz NQLITIHENKPTHB-RBUKOAKNSA-N 2 2 347.865 3.062 20 0 EGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423516013 458449308 /nfs/dbraw/zinc/44/93/08/458449308.db2.gz AKTDXGRMXOAKNK-HBFSDRIKSA-N 3 2 329.532 3.394 20 0 EGADLP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000423577656 458458645 /nfs/dbraw/zinc/45/86/45/458458645.db2.gz SKWBVXWNDIPMCC-DOTOQJQBSA-N 2 2 336.888 3.263 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430547707 458459913 /nfs/dbraw/zinc/45/99/13/458459913.db2.gz AFAXKMDZQKYJMU-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430547707 458459915 /nfs/dbraw/zinc/45/99/15/458459915.db2.gz AFAXKMDZQKYJMU-SNVBAGLBSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1C[NH3+] ZINC000430594185 458468120 /nfs/dbraw/zinc/46/81/20/458468120.db2.gz JZOYMUXHBMOOMM-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1C[NH3+] ZINC000430594185 458468122 /nfs/dbraw/zinc/46/81/22/458468122.db2.gz JZOYMUXHBMOOMM-OXJNMPFZSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[C@@H]1CCC[NH2+]C1 ZINC000423813351 458489079 /nfs/dbraw/zinc/48/90/79/458489079.db2.gz QJSAZANNCLECJN-DZGCQCFKSA-N 2 2 340.471 3.415 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437799227 458495702 /nfs/dbraw/zinc/49/57/02/458495702.db2.gz VZRBPNRTGIOLSJ-CQSZACIVSA-N 2 2 326.419 3.495 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000437799227 458495706 /nfs/dbraw/zinc/49/57/06/458495706.db2.gz VZRBPNRTGIOLSJ-CQSZACIVSA-N 2 2 326.419 3.495 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430920036 458505603 /nfs/dbraw/zinc/50/56/03/458505603.db2.gz NFNQFNIVNXIJQX-DNVCBOLYSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430920036 458505610 /nfs/dbraw/zinc/50/56/10/458505610.db2.gz NFNQFNIVNXIJQX-DNVCBOLYSA-N 2 2 339.439 3.087 20 0 EGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430922747 458506657 /nfs/dbraw/zinc/50/66/57/458506657.db2.gz AHTVWIBUDJRWPX-AWEZNQCLSA-N 2 2 331.847 3.095 20 0 EGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430922747 458506663 /nfs/dbraw/zinc/50/66/63/458506663.db2.gz AHTVWIBUDJRWPX-AWEZNQCLSA-N 2 2 331.847 3.095 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430938593 458507920 /nfs/dbraw/zinc/50/79/20/458507920.db2.gz IKIWMNLQLGDMRT-QFBILLFUSA-N 2 2 335.536 3.150 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430938593 458507922 /nfs/dbraw/zinc/50/79/22/458507922.db2.gz IKIWMNLQLGDMRT-QFBILLFUSA-N 2 2 335.536 3.150 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000431024618 458518498 /nfs/dbraw/zinc/51/84/98/458518498.db2.gz BFXWGJAGQZWTGZ-UHFFFAOYSA-N 2 2 339.418 3.132 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNc1[nH+]c2ccc(F)cc2n1C ZINC000431032355 458518689 /nfs/dbraw/zinc/51/86/89/458518689.db2.gz BQIGJUIERZEUSZ-UHFFFAOYSA-N 2 2 337.402 3.295 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000377859646 458554536 /nfs/dbraw/zinc/55/45/36/458554536.db2.gz IOCMQQIGRBMRMK-UHFFFAOYSA-N 2 2 340.427 3.359 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000377859646 458554539 /nfs/dbraw/zinc/55/45/39/458554539.db2.gz IOCMQQIGRBMRMK-UHFFFAOYSA-N 2 2 340.427 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000438354953 458569394 /nfs/dbraw/zinc/56/93/94/458569394.db2.gz QQQAHLAFRCHGMT-QIJUGHKUSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000438354953 458569399 /nfs/dbraw/zinc/56/93/99/458569399.db2.gz QQQAHLAFRCHGMT-QIJUGHKUSA-N 2 2 338.495 3.090 20 0 EGADLP Cc1cc(F)c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(F)c1 ZINC000424162744 458575356 /nfs/dbraw/zinc/57/53/56/458575356.db2.gz TZGOWDNILFCTDK-OAHLLOKOSA-N 2 2 346.425 3.421 20 0 EGADLP CCC[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000469988864 458604029 /nfs/dbraw/zinc/60/40/29/458604029.db2.gz AGYCOIZYYMVBSE-CYBMUJFWSA-N 2 2 334.357 3.341 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000469988864 458604038 /nfs/dbraw/zinc/60/40/38/458604038.db2.gz AGYCOIZYYMVBSE-CYBMUJFWSA-N 2 2 334.357 3.341 20 0 EGADLP [NH3+]C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301780 458609518 /nfs/dbraw/zinc/60/95/18/458609518.db2.gz LIDFMSBGXGKTIU-UYAOXDASSA-N 3 2 347.522 3.456 20 0 EGADLP [NH3+]C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccc(F)cc1 ZINC000424301780 458609519 /nfs/dbraw/zinc/60/95/19/458609519.db2.gz LIDFMSBGXGKTIU-UYAOXDASSA-N 3 2 347.522 3.456 20 0 EGADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000462413172 458618636 /nfs/dbraw/zinc/61/86/36/458618636.db2.gz INRNTURFQXHIDK-OAQYLSRUSA-N 2 2 347.547 3.166 20 0 EGADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000462413172 458618641 /nfs/dbraw/zinc/61/86/41/458618641.db2.gz INRNTURFQXHIDK-OAQYLSRUSA-N 2 2 347.547 3.166 20 0 EGADLP C[NH+](C)[C@@H](CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000431763391 458619610 /nfs/dbraw/zinc/61/96/10/458619610.db2.gz AXAUBBPVWQCESC-SJORKVTESA-N 2 2 326.444 3.156 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000494141340 458632083 /nfs/dbraw/zinc/63/20/83/458632083.db2.gz IVUSIGLRYZJETJ-SJORKVTESA-N 2 2 348.491 3.137 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000494141340 458632088 /nfs/dbraw/zinc/63/20/88/458632088.db2.gz IVUSIGLRYZJETJ-SJORKVTESA-N 2 2 348.491 3.137 20 0 EGADLP Cc1nc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)c(C)[nH+]1 ZINC000439100552 458653176 /nfs/dbraw/zinc/65/31/76/458653176.db2.gz QWBXZKLKQFAORW-OAHLLOKOSA-N 2 2 325.460 3.434 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000456394740 458661634 /nfs/dbraw/zinc/66/16/34/458661634.db2.gz RCAXZZUWBLWHFE-HNNXBMFYSA-N 2 2 340.471 3.378 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000456394740 458661638 /nfs/dbraw/zinc/66/16/38/458661638.db2.gz RCAXZZUWBLWHFE-HNNXBMFYSA-N 2 2 340.471 3.378 20 0 EGADLP CC(C)[C@@H](C[NH2+]Cc1cncc(F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000494593064 458707880 /nfs/dbraw/zinc/70/78/80/458707880.db2.gz VXCAYAXUDHNFFA-HXUWFJFHSA-N 2 2 327.447 3.393 20 0 EGADLP CC(C)[C@@H](C[NH2+]Cc1cncc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000494593064 458707884 /nfs/dbraw/zinc/70/78/84/458707884.db2.gz VXCAYAXUDHNFFA-HXUWFJFHSA-N 2 2 327.447 3.393 20 0 EGADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000503577274 458716476 /nfs/dbraw/zinc/71/64/76/458716476.db2.gz VUEXRUKLALRUQS-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000503577274 458716480 /nfs/dbraw/zinc/71/64/80/458716480.db2.gz VUEXRUKLALRUQS-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530244941 458729036 /nfs/dbraw/zinc/72/90/36/458729036.db2.gz RGFQAYOUOJLTQU-GOSISDBHSA-N 2 2 346.425 3.142 20 0 EGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494939535 458769394 /nfs/dbraw/zinc/76/93/94/458769394.db2.gz JZWHMAKQMSXCGY-JLSDUUJJSA-N 2 2 329.419 3.095 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000464781698 458773046 /nfs/dbraw/zinc/77/30/46/458773046.db2.gz ZZNGVIYNSJCWNB-HKUYNNGSSA-N 2 2 345.531 3.090 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000464781698 458773052 /nfs/dbraw/zinc/77/30/52/458773052.db2.gz ZZNGVIYNSJCWNB-HKUYNNGSSA-N 2 2 345.531 3.090 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)CC[N@H+](C)C2CCCCC2)c1C ZINC000547733491 458782576 /nfs/dbraw/zinc/78/25/76/458782576.db2.gz HRPKEGNCRYASGF-UHFFFAOYSA-N 2 2 347.503 3.320 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)CC[N@@H+](C)C2CCCCC2)c1C ZINC000547733491 458782579 /nfs/dbraw/zinc/78/25/79/458782579.db2.gz HRPKEGNCRYASGF-UHFFFAOYSA-N 2 2 347.503 3.320 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000495047309 458788895 /nfs/dbraw/zinc/78/88/95/458788895.db2.gz HKCNSRHQOIATNU-NHCUHLMSSA-N 2 2 344.474 3.402 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000495047312 458789248 /nfs/dbraw/zinc/78/92/48/458789248.db2.gz HKCNSRHQOIATNU-SFTDATJTSA-N 2 2 344.474 3.402 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495054697 458790348 /nfs/dbraw/zinc/79/03/48/458790348.db2.gz WEDYCZBVHLZSMH-ZBFHGGJFSA-N 2 2 338.904 3.197 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000474264450 458871948 /nfs/dbraw/zinc/87/19/48/458871948.db2.gz FMBQHLMZUPBWEW-SFHVURJKSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000474264450 458871951 /nfs/dbraw/zinc/87/19/51/458871951.db2.gz FMBQHLMZUPBWEW-SFHVURJKSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000474264450 458871955 /nfs/dbraw/zinc/87/19/55/458871955.db2.gz FMBQHLMZUPBWEW-SFHVURJKSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000474264450 458871958 /nfs/dbraw/zinc/87/19/58/458871958.db2.gz FMBQHLMZUPBWEW-SFHVURJKSA-N 2 2 326.488 3.487 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000531143414 458878541 /nfs/dbraw/zinc/87/85/41/458878541.db2.gz MFBSMFSIXYAGAJ-ABSDTBQOSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000531143414 458878546 /nfs/dbraw/zinc/87/85/46/458878546.db2.gz MFBSMFSIXYAGAJ-ABSDTBQOSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000531143414 458878549 /nfs/dbraw/zinc/87/85/49/458878549.db2.gz MFBSMFSIXYAGAJ-ABSDTBQOSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000531143414 458878553 /nfs/dbraw/zinc/87/85/53/458878553.db2.gz MFBSMFSIXYAGAJ-ABSDTBQOSA-N 2 2 345.531 3.231 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796073 458894772 /nfs/dbraw/zinc/89/47/72/458894772.db2.gz PNFYYYCWYVKCLC-DUXHTMCSSA-N 2 2 336.426 3.165 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796073 458894778 /nfs/dbraw/zinc/89/47/78/458894778.db2.gz PNFYYYCWYVKCLC-DUXHTMCSSA-N 2 2 336.426 3.165 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270049 458908673 /nfs/dbraw/zinc/90/86/73/458908673.db2.gz NKCYZPNGECBGFD-RBSFLKMASA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ncc(-c2cccs2)o1 ZINC000441270049 458908675 /nfs/dbraw/zinc/90/86/75/458908675.db2.gz NKCYZPNGECBGFD-RBSFLKMASA-N 2 2 347.484 3.087 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329379 458918913 /nfs/dbraw/zinc/91/89/13/458918913.db2.gz XMNWNNQBVHYTMT-APWZRJJASA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329379 458918916 /nfs/dbraw/zinc/91/89/16/458918916.db2.gz XMNWNNQBVHYTMT-APWZRJJASA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441329379 458918921 /nfs/dbraw/zinc/91/89/21/458918921.db2.gz XMNWNNQBVHYTMT-APWZRJJASA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441329379 458918926 /nfs/dbraw/zinc/91/89/26/458918926.db2.gz XMNWNNQBVHYTMT-APWZRJJASA-N 2 2 331.504 3.382 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000556084193 458926411 /nfs/dbraw/zinc/92/64/11/458926411.db2.gz AASTZRSZMOAPLL-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000556084193 458926415 /nfs/dbraw/zinc/92/64/15/458926415.db2.gz AASTZRSZMOAPLL-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000466906244 458931848 /nfs/dbraw/zinc/93/18/48/458931848.db2.gz JXGKOCVGXQPXQC-YUXAGFNASA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000466906244 458931855 /nfs/dbraw/zinc/93/18/55/458931855.db2.gz JXGKOCVGXQPXQC-YUXAGFNASA-N 2 2 338.495 3.151 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H](C)c1ccccc1 ZINC000556242749 458942239 /nfs/dbraw/zinc/94/22/39/458942239.db2.gz VOKJKODMPPPYIL-JBYIUTFZSA-N 2 2 338.495 3.187 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H](C)c1ccccc1 ZINC000556242749 458942244 /nfs/dbraw/zinc/94/22/44/458942244.db2.gz VOKJKODMPPPYIL-JBYIUTFZSA-N 2 2 338.495 3.187 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466868 458950415 /nfs/dbraw/zinc/95/04/15/458950415.db2.gz OJYRZHZSPWXOAA-MOPGFXCFSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466868 458950418 /nfs/dbraw/zinc/95/04/18/458950418.db2.gz OJYRZHZSPWXOAA-MOPGFXCFSA-N 2 2 343.515 3.014 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000475630688 458955033 /nfs/dbraw/zinc/95/50/33/458955033.db2.gz IDWUPBAHGDWRKT-XJKSGUPXSA-N 2 2 330.394 3.100 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000475630688 458955039 /nfs/dbraw/zinc/95/50/39/458955039.db2.gz IDWUPBAHGDWRKT-XJKSGUPXSA-N 2 2 330.394 3.100 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)o1 ZINC000531677728 458959565 /nfs/dbraw/zinc/95/95/65/458959565.db2.gz STMGDXBWGVJDSF-JKSUJKDBSA-N 2 2 333.501 3.289 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531706251 458964153 /nfs/dbraw/zinc/96/41/53/458964153.db2.gz NUPKXGNVDMPXPV-UXHICEINSA-N 2 2 343.515 3.060 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000531706251 458964160 /nfs/dbraw/zinc/96/41/60/458964160.db2.gz NUPKXGNVDMPXPV-UXHICEINSA-N 2 2 343.515 3.060 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715749 458966467 /nfs/dbraw/zinc/96/64/67/458966467.db2.gz QCPOCMPRYRVBOY-IEBWSBKVSA-N 2 2 337.552 3.268 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715749 458966470 /nfs/dbraw/zinc/96/64/70/458966470.db2.gz QCPOCMPRYRVBOY-IEBWSBKVSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC000519592898 458969253 /nfs/dbraw/zinc/96/92/53/458969253.db2.gz BTEIVTVLIIXDJW-IBGZPJMESA-N 2 2 344.503 3.295 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(C)[nH+]1 ZINC000519592898 458969257 /nfs/dbraw/zinc/96/92/57/458969257.db2.gz BTEIVTVLIIXDJW-IBGZPJMESA-N 2 2 344.503 3.295 20 0 EGADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCCCC1CCCCC1 ZINC000476568735 459007114 /nfs/dbraw/zinc/00/71/14/459007114.db2.gz HCEBURNFPWZUDB-HXUWFJFHSA-N 2 2 349.563 3.271 20 0 EGADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCCCC1CCCCC1 ZINC000476568735 459007117 /nfs/dbraw/zinc/00/71/17/459007117.db2.gz HCEBURNFPWZUDB-HXUWFJFHSA-N 2 2 349.563 3.271 20 0 EGADLP C[N@H+](CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000519859259 459017567 /nfs/dbraw/zinc/01/75/67/459017567.db2.gz CTZJMDRHFJVWFW-UHFFFAOYSA-N 2 2 345.874 3.390 20 0 EGADLP C[N@@H+](CC[NH2+]CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000519859259 459017569 /nfs/dbraw/zinc/01/75/69/459017569.db2.gz CTZJMDRHFJVWFW-UHFFFAOYSA-N 2 2 345.874 3.390 20 0 EGADLP C[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442797852 459037502 /nfs/dbraw/zinc/03/75/02/459037502.db2.gz XEBJPILSMAIGMV-DPXCBNATSA-N 2 2 349.544 3.166 20 0 EGADLP C[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442797852 459037509 /nfs/dbraw/zinc/03/75/09/459037509.db2.gz XEBJPILSMAIGMV-DPXCBNATSA-N 2 2 349.544 3.166 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154865 459038132 /nfs/dbraw/zinc/03/81/32/459038132.db2.gz KPWSHVJBLUBPSM-PKOBYXMFSA-N 2 2 337.552 3.268 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154865 459038140 /nfs/dbraw/zinc/03/81/40/459038140.db2.gz KPWSHVJBLUBPSM-PKOBYXMFSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154865 459038147 /nfs/dbraw/zinc/03/81/47/459038147.db2.gz KPWSHVJBLUBPSM-PKOBYXMFSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)C[C@@H]1C ZINC000532154865 459038151 /nfs/dbraw/zinc/03/81/51/459038151.db2.gz KPWSHVJBLUBPSM-PKOBYXMFSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000557044441 459045331 /nfs/dbraw/zinc/04/53/31/459045331.db2.gz QTIKARKFMIQJMG-MRXNPFEDSA-N 2 2 341.459 3.145 20 0 EGADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1C ZINC000567179450 459060958 /nfs/dbraw/zinc/06/09/58/459060958.db2.gz FYVLZBRPKYZQQP-IBGZPJMESA-N 2 2 341.499 3.471 20 0 EGADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2c1C ZINC000567179450 459060965 /nfs/dbraw/zinc/06/09/65/459060965.db2.gz FYVLZBRPKYZQQP-IBGZPJMESA-N 2 2 341.499 3.471 20 0 EGADLP CNC(=O)c1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000442990881 459071043 /nfs/dbraw/zinc/07/10/43/459071043.db2.gz MQSOYQOVRCFLCV-OXQOHEQNSA-N 2 2 339.483 3.136 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513121 459071057 /nfs/dbraw/zinc/07/10/57/459071057.db2.gz LDBVIVDQSJKQRP-SOLBZPMBSA-N 2 2 332.488 3.389 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513121 459071060 /nfs/dbraw/zinc/07/10/60/459071060.db2.gz LDBVIVDQSJKQRP-SOLBZPMBSA-N 2 2 332.488 3.389 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000567337473 459087885 /nfs/dbraw/zinc/08/78/85/459087885.db2.gz XXLFTPOFSBOTSO-KBRIMQKVSA-N 2 2 341.459 3.012 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000567337472 459088145 /nfs/dbraw/zinc/08/81/45/459088145.db2.gz XXLFTPOFSBOTSO-IAOVAPTHSA-N 2 2 341.459 3.012 20 0 EGADLP C[NH+](C)CCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000532486831 459097879 /nfs/dbraw/zinc/09/78/79/459097879.db2.gz LLFQMIORVHZNCJ-UHFFFAOYSA-N 2 2 348.878 3.153 20 0 EGADLP c1cn(Cc2ccc(N[C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)[nH+]c2)c[nH+]1 ZINC000558417558 459156787 /nfs/dbraw/zinc/15/67/87/459156787.db2.gz GQBDTFZSJQXCHG-KZNAEPCWSA-N 2 2 326.444 3.334 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000480036194 459178671 /nfs/dbraw/zinc/17/86/71/459178671.db2.gz DDAODOXHCVFBEW-HOCLYGCPSA-N 2 2 340.895 3.356 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000480036194 459178676 /nfs/dbraw/zinc/17/86/76/459178676.db2.gz DDAODOXHCVFBEW-HOCLYGCPSA-N 2 2 340.895 3.356 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000578322822 459181840 /nfs/dbraw/zinc/18/18/40/459181840.db2.gz MXWMZXUDAAFPLF-MOPGFXCFSA-N 2 2 332.488 3.338 20 0 EGADLP CCOCc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1OC ZINC000578322822 459181842 /nfs/dbraw/zinc/18/18/42/459181842.db2.gz MXWMZXUDAAFPLF-MOPGFXCFSA-N 2 2 332.488 3.338 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496412885 459184392 /nfs/dbraw/zinc/18/43/92/459184392.db2.gz COCLFNSXRZPYTO-SFHVURJKSA-N 2 2 331.460 3.066 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496412885 459184394 /nfs/dbraw/zinc/18/43/94/459184394.db2.gz COCLFNSXRZPYTO-SFHVURJKSA-N 2 2 331.460 3.066 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000594965453 459198685 /nfs/dbraw/zinc/19/86/85/459198685.db2.gz IRCLFEVBVQFVNX-KCIRWWNTSA-N 2 2 348.556 3.319 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000594965453 459198690 /nfs/dbraw/zinc/19/86/90/459198690.db2.gz IRCLFEVBVQFVNX-KCIRWWNTSA-N 2 2 348.556 3.319 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000578438165 459201952 /nfs/dbraw/zinc/20/19/52/459201952.db2.gz ZQSSUTWNIMEDNE-IRXDYDNUSA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000578438165 459201954 /nfs/dbraw/zinc/20/19/54/459201954.db2.gz ZQSSUTWNIMEDNE-IRXDYDNUSA-N 2 2 344.503 3.151 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@@H+]1C ZINC000558715095 459202785 /nfs/dbraw/zinc/20/27/85/459202785.db2.gz BUPQJJMEYZDIRW-LSDHHAIUSA-N 2 2 325.412 3.086 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)CC[N@H+]1C ZINC000558715095 459202791 /nfs/dbraw/zinc/20/27/91/459202791.db2.gz BUPQJJMEYZDIRW-LSDHHAIUSA-N 2 2 325.412 3.086 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1cncnc1C)c1ccccc1 ZINC000578522368 459215551 /nfs/dbraw/zinc/21/55/51/459215551.db2.gz JLVMALPTVGLNLK-YLJYHZDGSA-N 2 2 342.487 3.145 20 0 EGADLP CC(C)(C)OC(=O)NCc1ccc[nH+]c1NC1CC[NH+](C2CC2)CC1 ZINC000496512793 459221695 /nfs/dbraw/zinc/22/16/95/459221695.db2.gz MMYPNWYPYZLPMO-UHFFFAOYSA-N 2 2 346.475 3.145 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)ccn12 ZINC000568189743 459243750 /nfs/dbraw/zinc/24/37/50/459243750.db2.gz RWLHDHFGCNSJQI-LPHOPBHVSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)ccn12 ZINC000568189743 459243756 /nfs/dbraw/zinc/24/37/56/459243756.db2.gz RWLHDHFGCNSJQI-LPHOPBHVSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)ccn12 ZINC000568189745 459243857 /nfs/dbraw/zinc/24/38/57/459243857.db2.gz RWLHDHFGCNSJQI-VQIMIIECSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)ccn12 ZINC000568189745 459243862 /nfs/dbraw/zinc/24/38/62/459243862.db2.gz RWLHDHFGCNSJQI-VQIMIIECSA-N 2 2 348.450 3.208 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312408 459251555 /nfs/dbraw/zinc/25/15/55/459251555.db2.gz TXQPNVFXJMOCBQ-OAQYLSRUSA-N 2 2 343.515 3.340 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312408 459251560 /nfs/dbraw/zinc/25/15/60/459251560.db2.gz TXQPNVFXJMOCBQ-OAQYLSRUSA-N 2 2 343.515 3.340 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312408 459251562 /nfs/dbraw/zinc/25/15/62/459251562.db2.gz TXQPNVFXJMOCBQ-OAQYLSRUSA-N 2 2 343.515 3.340 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312408 459251567 /nfs/dbraw/zinc/25/15/67/459251567.db2.gz TXQPNVFXJMOCBQ-OAQYLSRUSA-N 2 2 343.515 3.340 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c[nH+]1 ZINC000496664175 459278063 /nfs/dbraw/zinc/27/80/63/459278063.db2.gz YVZWKRMHZMNESP-GOSISDBHSA-N 2 2 331.460 3.066 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c[nH+]1 ZINC000496664175 459278070 /nfs/dbraw/zinc/27/80/70/459278070.db2.gz YVZWKRMHZMNESP-GOSISDBHSA-N 2 2 331.460 3.066 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[N@H+](C)Cc1ccccc1 ZINC000534063993 459288396 /nfs/dbraw/zinc/28/83/96/459288396.db2.gz ZBTGIARCXQOTLI-GSEOLPGOSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000534063993 459288402 /nfs/dbraw/zinc/28/84/02/459288402.db2.gz ZBTGIARCXQOTLI-GSEOLPGOSA-N 2 2 328.500 3.444 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560044521 459295519 /nfs/dbraw/zinc/29/55/19/459295519.db2.gz GWOIJSUEJYCACX-QGZVFWFLSA-N 2 2 346.519 3.289 20 0 EGADLP Cc1nn2c(C[NH2+]Cc3c[nH+]c4n3CCCC4)c(C(C)C)nc2s1 ZINC000560094340 459300887 /nfs/dbraw/zinc/30/08/87/459300887.db2.gz DQMOYNBDKCKILL-UHFFFAOYSA-N 2 2 344.488 3.045 20 0 EGADLP COc1ccc(C[N@H+](C)CCC[NH+](C)C)c(OCc2cccnc2)c1 ZINC000582089776 459305272 /nfs/dbraw/zinc/30/52/72/459305272.db2.gz WGEDAYVJJXIPRI-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP COc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(OCc2cccnc2)c1 ZINC000582089776 459305278 /nfs/dbraw/zinc/30/52/78/459305278.db2.gz WGEDAYVJJXIPRI-UHFFFAOYSA-N 2 2 343.471 3.053 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083398 459310771 /nfs/dbraw/zinc/31/07/71/459310771.db2.gz UVDPSFMDXPFRKW-AWEZNQCLSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083398 459310779 /nfs/dbraw/zinc/31/07/79/459310779.db2.gz UVDPSFMDXPFRKW-AWEZNQCLSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000582165134 459319514 /nfs/dbraw/zinc/31/95/14/459319514.db2.gz ZANUVFYDMSRXKT-KRWDZBQOSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000582165134 459319520 /nfs/dbraw/zinc/31/95/20/459319520.db2.gz ZANUVFYDMSRXKT-KRWDZBQOSA-N 2 2 349.438 3.039 20 0 EGADLP CCOC(=O)CCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550804 459344693 /nfs/dbraw/zinc/34/46/93/459344693.db2.gz CYULAEOMHYEJDE-UHFFFAOYSA-N 2 2 329.444 3.161 20 0 EGADLP C[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000560502707 459359772 /nfs/dbraw/zinc/35/97/72/459359772.db2.gz BWHYFRSIOPQGMR-UKRRCNANSA-N 2 2 330.516 3.329 20 0 EGADLP C[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000560502707 459359779 /nfs/dbraw/zinc/35/97/79/459359779.db2.gz BWHYFRSIOPQGMR-UKRRCNANSA-N 2 2 330.516 3.329 20 0 EGADLP C[NH+](CC(=O)C12CC3CC(CC(C3)C1)C2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000560502707 459359787 /nfs/dbraw/zinc/35/97/87/459359787.db2.gz BWHYFRSIOPQGMR-UKRRCNANSA-N 2 2 330.516 3.329 20 0 EGADLP C[NH+](CC(=O)C12CC3CC(CC(C3)C1)C2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000560502707 459359795 /nfs/dbraw/zinc/35/97/95/459359795.db2.gz BWHYFRSIOPQGMR-UKRRCNANSA-N 2 2 330.516 3.329 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000582488822 459373383 /nfs/dbraw/zinc/37/33/83/459373383.db2.gz SJDQGEUOOPAIHA-OALUTQOASA-N 2 2 331.504 3.171 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000582488822 459373389 /nfs/dbraw/zinc/37/33/89/459373389.db2.gz SJDQGEUOOPAIHA-OALUTQOASA-N 2 2 331.504 3.171 20 0 EGADLP Cc1ccsc1CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000568976570 459375654 /nfs/dbraw/zinc/37/56/54/459375654.db2.gz YFRCUODKQUFZSK-MRXNPFEDSA-N 2 2 343.496 3.216 20 0 EGADLP CCc1cc(NCCC[NH2+]C2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000524621069 459376808 /nfs/dbraw/zinc/37/68/08/459376808.db2.gz RXBJUAGDQORYHU-UHFFFAOYSA-N 2 2 339.487 3.247 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC000582606023 459393959 /nfs/dbraw/zinc/39/39/59/459393959.db2.gz DOXPOMKXPKLZGG-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC000582606023 459393961 /nfs/dbraw/zinc/39/39/61/459393961.db2.gz DOXPOMKXPKLZGG-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP OC[C@H](C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053845 459415499 /nfs/dbraw/zinc/41/54/99/459415499.db2.gz YZWJAMOCWMIENF-LEWJYISDSA-N 2 2 330.516 3.082 20 0 EGADLP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000561053845 459415506 /nfs/dbraw/zinc/41/55/06/459415506.db2.gz YZWJAMOCWMIENF-LEWJYISDSA-N 2 2 330.516 3.082 20 0 EGADLP CC[C@@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C(C)C ZINC000541239853 459436484 /nfs/dbraw/zinc/43/64/84/459436484.db2.gz POVOXGUQXURMKU-MRXNPFEDSA-N 2 2 330.476 3.284 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000541572524 459467487 /nfs/dbraw/zinc/46/74/87/459467487.db2.gz QBIJOBTYRCPNEF-DVESRUBUSA-N 2 2 343.515 3.011 20 0 EGADLP CC1(C)COc2ccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3)cc21 ZINC000569755246 459503959 /nfs/dbraw/zinc/50/39/59/459503959.db2.gz AYKAVMYPNXTPIT-UHFFFAOYSA-N 2 2 334.379 3.190 20 0 EGADLP Cn1ncc2ccc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)cc21 ZINC000569755045 459504093 /nfs/dbraw/zinc/50/40/93/459504093.db2.gz LTSNWIJLRYIDRT-UHFFFAOYSA-N 2 2 340.393 3.080 20 0 EGADLP CC[NH+]1CCN(c2ccc(NCc3[nH]c(C)c(C)[nH+]3)c(C)c2)CC1 ZINC000583452239 459541882 /nfs/dbraw/zinc/54/18/82/459541882.db2.gz YBNBZVCKSLVTKD-UHFFFAOYSA-N 2 2 327.476 3.089 20 0 EGADLP C[C@@H]1CCCC[C@H]1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000542312110 459546036 /nfs/dbraw/zinc/54/60/36/459546036.db2.gz RBMHYKHMYIEERZ-SJORKVTESA-N 2 2 330.520 3.272 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000526118923 459551054 /nfs/dbraw/zinc/55/10/54/459551054.db2.gz VDBHAIHQRCYUOU-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000526118923 459551059 /nfs/dbraw/zinc/55/10/59/459551059.db2.gz VDBHAIHQRCYUOU-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000562571838 459591472 /nfs/dbraw/zinc/59/14/72/459591472.db2.gz NPFOLHYHKDAFJX-KZNAEPCWSA-N 2 2 342.512 3.379 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000562571838 459591476 /nfs/dbraw/zinc/59/14/76/459591476.db2.gz NPFOLHYHKDAFJX-KZNAEPCWSA-N 2 2 342.512 3.379 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000583986654 459630591 /nfs/dbraw/zinc/63/05/91/459630591.db2.gz DAEVRLAXTPLKHW-UHFFFAOYSA-N 2 2 340.393 3.479 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000583986654 459630593 /nfs/dbraw/zinc/63/05/93/459630593.db2.gz DAEVRLAXTPLKHW-UHFFFAOYSA-N 2 2 340.393 3.479 20 0 EGADLP Cc1cc(C)cc(OCCC[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000584121290 459661124 /nfs/dbraw/zinc/66/11/24/459661124.db2.gz GZZCQVZQNTUUBA-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP Cc1cc(C)cc(OCCC[NH+]2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000584121290 459661128 /nfs/dbraw/zinc/66/11/28/459661128.db2.gz GZZCQVZQNTUUBA-IBGZPJMESA-N 2 2 346.515 3.257 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562962640 459681138 /nfs/dbraw/zinc/68/11/38/459681138.db2.gz GHYCISAABBZYID-GZRFBZBPSA-N 2 2 349.478 3.323 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676424 459715710 /nfs/dbraw/zinc/71/57/10/459715710.db2.gz JXZARNZRYRGLIS-WOJBJXKFSA-N 2 2 344.886 3.474 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1)C1CC1 ZINC000573676424 459715713 /nfs/dbraw/zinc/71/57/13/459715713.db2.gz JXZARNZRYRGLIS-WOJBJXKFSA-N 2 2 344.886 3.474 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000573698612 459721515 /nfs/dbraw/zinc/72/15/15/459721515.db2.gz CPOOXSDPCXRZOA-MRXNPFEDSA-N 3 2 326.488 3.250 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1C ZINC000573698612 459721522 /nfs/dbraw/zinc/72/15/22/459721522.db2.gz CPOOXSDPCXRZOA-MRXNPFEDSA-N 3 2 326.488 3.250 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000527760448 459727691 /nfs/dbraw/zinc/72/76/91/459727691.db2.gz CHFAXBXWDWAAJG-OXJNMPFZSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3cn(C)nc3c2)C[N@H+]1Cc1ccccc1 ZINC000527760448 459727696 /nfs/dbraw/zinc/72/76/96/459727696.db2.gz CHFAXBXWDWAAJG-OXJNMPFZSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760163 459727735 /nfs/dbraw/zinc/72/77/35/459727735.db2.gz ABIDZSQAHJUUMO-IIBYNOLFSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000527760163 459727738 /nfs/dbraw/zinc/72/77/38/459727738.db2.gz ABIDZSQAHJUUMO-IIBYNOLFSA-N 2 2 334.467 3.183 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214697 459740559 /nfs/dbraw/zinc/74/05/59/459740559.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@@H]3CCC[NH+]3C)C2)s1 ZINC000563214697 459740566 /nfs/dbraw/zinc/74/05/66/459740566.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[NH+](C)CC[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214697 459740573 /nfs/dbraw/zinc/74/05/73/459740573.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[NH+](C)CC[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000563214697 459740578 /nfs/dbraw/zinc/74/05/78/459740578.db2.gz CVRKRXICARLHIW-ROUUACIJSA-N 3 2 335.561 3.295 20 0 EGADLP CCC[NH+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)CC1 ZINC000584674561 459781895 /nfs/dbraw/zinc/78/18/95/459781895.db2.gz HHMBUFUTWZZLAN-UHFFFAOYSA-N 2 2 339.439 3.350 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566229856 459826798 /nfs/dbraw/zinc/82/67/98/459826798.db2.gz PIVVCZRQLVJVPM-IRXDYDNUSA-N 2 2 338.499 3.211 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566229856 459826806 /nfs/dbraw/zinc/82/68/06/459826806.db2.gz PIVVCZRQLVJVPM-IRXDYDNUSA-N 2 2 338.499 3.211 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519461 459829033 /nfs/dbraw/zinc/82/90/33/459829033.db2.gz KQRNUCWLEDKKDX-DNVCBOLYSA-N 2 2 341.430 3.176 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000574519461 459829038 /nfs/dbraw/zinc/82/90/38/459829038.db2.gz KQRNUCWLEDKKDX-DNVCBOLYSA-N 2 2 341.430 3.176 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866531 459864299 /nfs/dbraw/zinc/86/42/99/459864299.db2.gz APMSVXUETFCOFQ-MOPGFXCFSA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866531 459864303 /nfs/dbraw/zinc/86/43/03/459864303.db2.gz APMSVXUETFCOFQ-MOPGFXCFSA-N 2 2 348.849 3.225 20 0 EGADLP Clc1cc(Cl)cc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)co2)c1 ZINC000625099733 460032001 /nfs/dbraw/zinc/03/20/01/460032001.db2.gz SPOQJWXWQQUGEP-RYUDHWBXSA-N 2 2 338.238 3.300 20 0 EGADLP CCOc1cncc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000621730370 460036009 /nfs/dbraw/zinc/03/60/09/460036009.db2.gz JXEMPPWGMSCDAU-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP CCOc1cncc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000621730370 460036015 /nfs/dbraw/zinc/03/60/15/460036015.db2.gz JXEMPPWGMSCDAU-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP CC[C@H](C[NH2+]Cc1nn(C)c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000589639217 460116929 /nfs/dbraw/zinc/11/69/29/460116929.db2.gz WQIXVDGQVBKFDM-LJQANCHMSA-N 2 2 348.494 3.500 20 0 EGADLP CC[C@H](C[NH2+]Cc1nn(C)c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000589639217 460116933 /nfs/dbraw/zinc/11/69/33/460116933.db2.gz WQIXVDGQVBKFDM-LJQANCHMSA-N 2 2 348.494 3.500 20 0 EGADLP Cn1nc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000589638965 460117895 /nfs/dbraw/zinc/11/78/95/460117895.db2.gz JAOKQGLHKVWCFD-UHFFFAOYSA-N 2 2 334.467 3.111 20 0 EGADLP Cn1nc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000589638965 460117902 /nfs/dbraw/zinc/11/79/02/460117902.db2.gz JAOKQGLHKVWCFD-UHFFFAOYSA-N 2 2 334.467 3.111 20 0 EGADLP CC(C)COc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576358991 460126588 /nfs/dbraw/zinc/12/65/88/460126588.db2.gz BZCYPOZKWIPJMT-HXUWFJFHSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)COc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000576358991 460126592 /nfs/dbraw/zinc/12/65/92/460126592.db2.gz BZCYPOZKWIPJMT-HXUWFJFHSA-N 2 2 346.515 3.408 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000602942885 460194377 /nfs/dbraw/zinc/19/43/77/460194377.db2.gz LTEINCLCTIUYSC-GOSISDBHSA-N 2 2 343.471 3.124 20 0 EGADLP CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000611346474 460342470 /nfs/dbraw/zinc/34/24/70/460342470.db2.gz IXWVOAJULFECNI-UHFFFAOYSA-N 2 2 329.444 3.474 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000623089292 460407881 /nfs/dbraw/zinc/40/78/81/460407881.db2.gz APAIPZDLYLVGFK-UHFFFAOYSA-N 2 2 344.833 3.342 20 0 EGADLP Oc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000628419279 460408313 /nfs/dbraw/zinc/40/83/13/460408313.db2.gz SJLXGTGWVVLLIJ-UHFFFAOYSA-N 2 2 338.451 3.383 20 0 EGADLP Oc1ccc2c(c1)C[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000628419279 460408317 /nfs/dbraw/zinc/40/83/17/460408317.db2.gz SJLXGTGWVVLLIJ-UHFFFAOYSA-N 2 2 338.451 3.383 20 0 EGADLP Cc1cn2c(C[NH2+]CC3CC[NH+](CC(F)F)CC3)c(C)nc2s1 ZINC000623089062 460408550 /nfs/dbraw/zinc/40/85/50/460408550.db2.gz SNWNXDKVXMJMGY-UHFFFAOYSA-N 2 2 342.459 3.079 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628476326 460430638 /nfs/dbraw/zinc/43/06/38/460430638.db2.gz WBWLYUUBSIRXNT-UHFFFAOYSA-N 2 2 327.472 3.245 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000628476184 460431208 /nfs/dbraw/zinc/43/12/08/460431208.db2.gz KJQBNZRQYQJHLM-VQTJNVASSA-N 2 2 328.500 3.367 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C2(CCCCC2)C1 ZINC000631566211 460445665 /nfs/dbraw/zinc/44/56/65/460445665.db2.gz NONSTWJUHHESRM-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP C[N@H+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C2(CCCCC2)C1 ZINC000631566211 460445670 /nfs/dbraw/zinc/44/56/70/460445670.db2.gz NONSTWJUHHESRM-UHFFFAOYSA-N 2 2 338.455 3.167 20 0 EGADLP COc1cccc2c1OCCC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000631565804 460445981 /nfs/dbraw/zinc/44/59/81/460445981.db2.gz KOVWVDZVWWDNOF-QGZVFWFLSA-N 2 2 337.423 3.389 20 0 EGADLP COc1cccc2c1OCCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000631567388 460447300 /nfs/dbraw/zinc/44/73/00/460447300.db2.gz ZCSQAEZHDCMXMS-KRWDZBQOSA-N 2 2 341.455 3.274 20 0 EGADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000631579468 460453836 /nfs/dbraw/zinc/45/38/36/460453836.db2.gz IQTMSBXPNKRYPE-GCJKJVERSA-N 2 2 337.511 3.120 20 0 EGADLP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000631579468 460453842 /nfs/dbraw/zinc/45/38/42/460453842.db2.gz IQTMSBXPNKRYPE-GCJKJVERSA-N 2 2 337.511 3.120 20 0 EGADLP O[C@]1(Cn2cc[nH+]c2-c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634645161 460456379 /nfs/dbraw/zinc/45/63/79/460456379.db2.gz IDTOTDNUOLSKNM-OAQYLSRUSA-N 2 2 333.435 3.187 20 0 EGADLP O[C@]1(Cn2cc[nH+]c2-c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634645161 460456385 /nfs/dbraw/zinc/45/63/85/460456385.db2.gz IDTOTDNUOLSKNM-OAQYLSRUSA-N 2 2 333.435 3.187 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000631662837 460498128 /nfs/dbraw/zinc/49/81/28/460498128.db2.gz GACGQAOUAITECK-LNLFQRSKSA-N 2 2 338.499 3.248 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000631662837 460498135 /nfs/dbraw/zinc/49/81/35/460498135.db2.gz GACGQAOUAITECK-LNLFQRSKSA-N 2 2 338.499 3.248 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000631665857 460499801 /nfs/dbraw/zinc/49/98/01/460499801.db2.gz YZDXGBKUFWCTGW-IEZWGBDMSA-N 2 2 326.488 3.147 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000631665857 460499804 /nfs/dbraw/zinc/49/98/04/460499804.db2.gz YZDXGBKUFWCTGW-IEZWGBDMSA-N 2 2 326.488 3.147 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)n1 ZINC000623853120 460745438 /nfs/dbraw/zinc/74/54/38/460745438.db2.gz NDERSLZVSOWEDL-OAHLLOKOSA-N 2 2 331.485 3.135 20 0 EGADLP Cc1csc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000623885548 460760772 /nfs/dbraw/zinc/76/07/72/460760772.db2.gz AXYFSPVOLXKEOB-WMZOPIPTSA-N 2 2 344.528 3.091 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000629560702 460809187 /nfs/dbraw/zinc/80/91/87/460809187.db2.gz MXWBQGSFWIOVFF-VXGBXAGGSA-N 2 2 336.785 3.308 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000629560702 460809195 /nfs/dbraw/zinc/80/91/95/460809195.db2.gz MXWBQGSFWIOVFF-VXGBXAGGSA-N 2 2 336.785 3.308 20 0 EGADLP CC(C)([NH3+])C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000629649861 460846074 /nfs/dbraw/zinc/84/60/74/460846074.db2.gz INLKQMSVBXPYFJ-CYBMUJFWSA-N 2 2 329.307 3.353 20 0 EGADLP CC(C)([NH3+])C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000629649861 460846078 /nfs/dbraw/zinc/84/60/78/460846078.db2.gz INLKQMSVBXPYFJ-CYBMUJFWSA-N 2 2 329.307 3.353 20 0 EGADLP O=C1NCC[NH2+][C@H]1c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000629696913 460870668 /nfs/dbraw/zinc/87/06/68/460870668.db2.gz NOPFFWVMCQEBLD-NRFANRHFSA-N 2 2 349.478 3.100 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000624124174 460873042 /nfs/dbraw/zinc/87/30/42/460873042.db2.gz ZCBGZXNECRMCBK-CZUORRHYSA-N 2 2 328.859 3.488 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000624124174 460873046 /nfs/dbraw/zinc/87/30/46/460873046.db2.gz ZCBGZXNECRMCBK-CZUORRHYSA-N 2 2 328.859 3.488 20 0 EGADLP C[NH+](C)Cc1cccc(-c2ccc(NCC3CCOCC3)[nH+]c2)c1 ZINC000629706691 460878554 /nfs/dbraw/zinc/87/85/54/460878554.db2.gz MYZDTTZINRSWQH-UHFFFAOYSA-N 2 2 325.456 3.071 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000629731197 460893315 /nfs/dbraw/zinc/89/33/15/460893315.db2.gz GLMIRAGWRUCQFT-HXUWFJFHSA-N 2 2 337.398 3.398 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000608072409 460978406 /nfs/dbraw/zinc/97/84/06/460978406.db2.gz HSVKZUANUIVOOX-CQSZACIVSA-N 2 2 346.475 3.158 20 0 EGADLP C[NH2+]C1(CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CCC1 ZINC000629999951 460993667 /nfs/dbraw/zinc/99/36/67/460993667.db2.gz DQMCCCGMQQFLFO-UHFFFAOYSA-N 2 2 345.830 3.399 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340436 460997413 /nfs/dbraw/zinc/99/74/13/460997413.db2.gz FBSBARFRZKITRV-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621344586 460999690 /nfs/dbraw/zinc/99/96/90/460999690.db2.gz MFRFDCPHERUABP-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP CCOc1cncc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000621344586 460999699 /nfs/dbraw/zinc/99/96/99/460999699.db2.gz MFRFDCPHERUABP-OXJNMPFZSA-N 2 2 325.456 3.090 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190362 461042342 /nfs/dbraw/zinc/04/23/42/461042342.db2.gz DJFPMTRNXHFWRA-LRDDRELGSA-N 2 2 349.276 3.432 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628190362 461042343 /nfs/dbraw/zinc/04/23/43/461042343.db2.gz DJFPMTRNXHFWRA-LRDDRELGSA-N 2 2 349.276 3.432 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000633314955 461045024 /nfs/dbraw/zinc/04/50/24/461045024.db2.gz JFQJSQNYCMHNII-UHFFFAOYSA-N 2 2 344.503 3.248 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)cc2[nH+]1 ZINC000668152045 461137652 /nfs/dbraw/zinc/13/76/52/461137652.db2.gz XMXYWSVWOHEJCU-LSDHHAIUSA-N 2 2 329.448 3.027 20 0 EGADLP Cc1cn2ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc2[nH+]1 ZINC000668155511 461141604 /nfs/dbraw/zinc/14/16/04/461141604.db2.gz RGVQIYIKSJQPEG-OAHLLOKOSA-N 2 2 331.464 3.131 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353479 461146549 /nfs/dbraw/zinc/14/65/49/461146549.db2.gz LNKWDTKNFRKLKX-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353479 461146555 /nfs/dbraw/zinc/14/65/55/461146555.db2.gz LNKWDTKNFRKLKX-IUODEOHRSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H]1CC[NH3+] ZINC000652355938 461150237 /nfs/dbraw/zinc/15/02/37/461150237.db2.gz NJGLAJXZGWUJJW-XJKSGUPXSA-N 2 2 347.894 3.085 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H]1CC[NH3+] ZINC000652355938 461150247 /nfs/dbraw/zinc/15/02/47/461150247.db2.gz NJGLAJXZGWUJJW-XJKSGUPXSA-N 2 2 347.894 3.085 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185585 /nfs/dbraw/zinc/18/55/85/461185585.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185592 /nfs/dbraw/zinc/18/55/92/461185592.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185602 /nfs/dbraw/zinc/18/56/02/461185602.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000649571221 461185610 /nfs/dbraw/zinc/18/56/10/461185610.db2.gz COWOTNQKZTWQIF-HXUWFJFHSA-N 3 2 327.516 3.069 20 0 EGADLP Cn1cc[nH+]c1C[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccccc1 ZINC000665703709 461217889 /nfs/dbraw/zinc/21/78/89/461217889.db2.gz WRCJIDCWQJVOPG-INIZCTEOSA-N 2 2 334.427 3.180 20 0 EGADLP Cn1cc[nH+]c1C[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccccc1 ZINC000665703709 461217899 /nfs/dbraw/zinc/21/78/99/461217899.db2.gz WRCJIDCWQJVOPG-INIZCTEOSA-N 2 2 334.427 3.180 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)n1C ZINC000668281805 461225331 /nfs/dbraw/zinc/22/53/31/461225331.db2.gz CLQKGJJWWKIXRK-YESZJQIVSA-N 2 2 326.488 3.212 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)n1C ZINC000668281805 461225338 /nfs/dbraw/zinc/22/53/38/461225338.db2.gz CLQKGJJWWKIXRK-YESZJQIVSA-N 2 2 326.488 3.212 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000668298194 461235700 /nfs/dbraw/zinc/23/57/00/461235700.db2.gz QFWLYBZAABISTA-YYWHXJBOSA-N 2 2 346.515 3.249 20 0 EGADLP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000668298194 461235709 /nfs/dbraw/zinc/23/57/09/461235709.db2.gz QFWLYBZAABISTA-YYWHXJBOSA-N 2 2 346.515 3.249 20 0 EGADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000638120225 461252323 /nfs/dbraw/zinc/25/23/23/461252323.db2.gz YKHVZVOHFPLJFQ-MRXNPFEDSA-N 2 2 328.431 3.133 20 0 EGADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ccccc12 ZINC000638120225 461252328 /nfs/dbraw/zinc/25/23/28/461252328.db2.gz YKHVZVOHFPLJFQ-MRXNPFEDSA-N 2 2 328.431 3.133 20 0 EGADLP Cc1cn2cc(NC(=O)c3ccc4c(c3)[C@@H](C[NH3+])CCC4)ccc2[nH+]1 ZINC000659287042 461276020 /nfs/dbraw/zinc/27/60/20/461276020.db2.gz CEJAPQGNYCEELW-MRXNPFEDSA-N 2 2 334.423 3.274 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000646578296 461338668 /nfs/dbraw/zinc/33/86/68/461338668.db2.gz XYTNULIYFURGTM-IBGZPJMESA-N 2 2 341.430 3.278 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000646578296 461338677 /nfs/dbraw/zinc/33/86/77/461338677.db2.gz XYTNULIYFURGTM-IBGZPJMESA-N 2 2 341.430 3.278 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCOC(C4CC4)(C4CC4)C3)c2)c[nH+]1 ZINC000668684360 461380557 /nfs/dbraw/zinc/38/05/57/461380557.db2.gz HIDDYSRZFLSGNL-UHFFFAOYSA-N 2 2 329.469 3.325 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)c2)c[nH+]1 ZINC000668684360 461380560 /nfs/dbraw/zinc/38/05/60/461380560.db2.gz HIDDYSRZFLSGNL-UHFFFAOYSA-N 2 2 329.469 3.325 20 0 EGADLP c1cc(N2CCCCC2)[nH+]cc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655752624 461418109 /nfs/dbraw/zinc/41/81/09/461418109.db2.gz SGILYDLITFDJOG-LJQANCHMSA-N 2 2 344.503 3.127 20 0 EGADLP Cc1ccc(SC[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655757848 461425170 /nfs/dbraw/zinc/42/51/70/461425170.db2.gz YKQOXCGCXGOMMK-WMZOPIPTSA-N 2 2 334.529 3.319 20 0 EGADLP Cc1ccc([C@H](C[NH2+]CCCc2cnn(C)c2)[NH+]2CCCC2)cc1 ZINC000638453559 461435338 /nfs/dbraw/zinc/43/53/38/461435338.db2.gz FHHZNVWUSTTYOI-FQEVSTJZSA-N 2 2 326.488 3.088 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000668793478 461437181 /nfs/dbraw/zinc/43/71/81/461437181.db2.gz CSISMRKUZLOYJP-UHFFFAOYSA-N 2 2 340.402 3.141 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000638522224 461466429 /nfs/dbraw/zinc/46/64/29/461466429.db2.gz YIRKXWHOMCCEBW-SFHVURJKSA-N 2 2 335.451 3.482 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3nc4ccccc4o3)C2)cc1 ZINC000638522224 461466438 /nfs/dbraw/zinc/46/64/38/461466438.db2.gz YIRKXWHOMCCEBW-SFHVURJKSA-N 2 2 335.451 3.482 20 0 EGADLP Clc1c(Br)cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000631030637 461482793 /nfs/dbraw/zinc/48/27/93/461482793.db2.gz UBGJBCPXYSUHQH-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccncc1Br ZINC000631035765 461490350 /nfs/dbraw/zinc/49/03/50/461490350.db2.gz QBDFJIMBXPDDMZ-UHFFFAOYSA-N 2 2 345.244 3.292 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Br)c1Cl ZINC000631040474 461494509 /nfs/dbraw/zinc/49/45/09/461494509.db2.gz JKDMPZZUAYXLMQ-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1NC(C)=O ZINC000655849823 461494920 /nfs/dbraw/zinc/49/49/20/461494920.db2.gz ZAMCSBKOAKCHKN-UCLAIMLFSA-N 2 2 345.487 3.321 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1NC(C)=O ZINC000655849823 461494928 /nfs/dbraw/zinc/49/49/28/461494928.db2.gz ZAMCSBKOAKCHKN-UCLAIMLFSA-N 2 2 345.487 3.321 20 0 EGADLP O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653112351 461506131 /nfs/dbraw/zinc/50/61/31/461506131.db2.gz WCNYGVCRPZCVHY-MRXNPFEDSA-N 2 2 338.455 3.215 20 0 EGADLP CCC[C@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)OC ZINC000638638268 461513392 /nfs/dbraw/zinc/51/33/92/461513392.db2.gz BSXRVCLCBDNJRJ-PKOBYXMFSA-N 2 2 334.504 3.291 20 0 EGADLP CO[C@]1(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CCOC1 ZINC000638639105 461514010 /nfs/dbraw/zinc/51/40/10/461514010.db2.gz IPVXIEQQNKTEIU-PXNSSMCTSA-N 2 2 332.488 3.045 20 0 EGADLP CO[C@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@@H]1CCOC1 ZINC000638642195 461514299 /nfs/dbraw/zinc/51/42/99/461514299.db2.gz VSEDVIQGSPRUGT-DFQSSKMNSA-N 2 2 346.515 3.291 20 0 EGADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000655942417 461547705 /nfs/dbraw/zinc/54/77/05/461547705.db2.gz RFBFZXMQARTKSN-UHFFFAOYSA-N 2 2 337.467 3.364 20 0 EGADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000655942417 461547717 /nfs/dbraw/zinc/54/77/17/461547717.db2.gz RFBFZXMQARTKSN-UHFFFAOYSA-N 2 2 337.467 3.364 20 0 EGADLP FC(F)(F)c1cccnc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345004 461574982 /nfs/dbraw/zinc/57/49/82/461574982.db2.gz DTSYNEUZVZDUIV-CQSZACIVSA-N 2 2 327.394 3.312 20 0 EGADLP FC(F)(F)c1cccnc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345004 461574986 /nfs/dbraw/zinc/57/49/86/461574986.db2.gz DTSYNEUZVZDUIV-CQSZACIVSA-N 2 2 327.394 3.312 20 0 EGADLP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC000663347259 461577595 /nfs/dbraw/zinc/57/75/95/461577595.db2.gz IFGUUCRZNITSHI-ZDUSSCGKSA-N 2 2 327.266 3.254 20 0 EGADLP Brc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000663347259 461577605 /nfs/dbraw/zinc/57/76/05/461577605.db2.gz IFGUUCRZNITSHI-ZDUSSCGKSA-N 2 2 327.266 3.254 20 0 EGADLP C[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H]1CC[NH3+] ZINC000653239968 461585403 /nfs/dbraw/zinc/58/54/03/461585403.db2.gz HXTKPJLNVUVYHK-HNAYVOBHSA-N 2 2 339.439 3.463 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CCC2)c1 ZINC000643065577 461600573 /nfs/dbraw/zinc/60/05/73/461600573.db2.gz CTZAXAJGORJDJX-AZUAARDMSA-N 2 2 344.499 3.066 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4CC[NH2+][C@@H]4C3)CCC2)c1 ZINC000643065577 461600582 /nfs/dbraw/zinc/60/05/82/461600582.db2.gz CTZAXAJGORJDJX-AZUAARDMSA-N 2 2 344.499 3.066 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000631168542 461607330 /nfs/dbraw/zinc/60/73/30/461607330.db2.gz LEKIXNJBUVDZQO-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000631168542 461607341 /nfs/dbraw/zinc/60/73/41/461607341.db2.gz LEKIXNJBUVDZQO-OAQYLSRUSA-N 2 2 337.467 3.399 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638860534 461623008 /nfs/dbraw/zinc/62/30/08/461623008.db2.gz ZBDQHTQNGRKQJN-YTXYEVPYSA-N 2 2 343.515 3.247 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638860534 461623018 /nfs/dbraw/zinc/62/30/18/461623018.db2.gz ZBDQHTQNGRKQJN-YTXYEVPYSA-N 2 2 343.515 3.247 20 0 EGADLP COc1cc(C[C@@H](C)[NH2+]CCCc2[nH+]c3ccccc3n2C)ccn1 ZINC000638872272 461631890 /nfs/dbraw/zinc/63/18/90/461631890.db2.gz RRNZBUMQTVBDJO-OAHLLOKOSA-N 2 2 338.455 3.130 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194169 461632861 /nfs/dbraw/zinc/63/28/61/461632861.db2.gz JFMHQNYVKTYMKO-PKOBYXMFSA-N 2 2 326.488 3.322 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194169 461632867 /nfs/dbraw/zinc/63/28/67/461632867.db2.gz JFMHQNYVKTYMKO-PKOBYXMFSA-N 2 2 326.488 3.322 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202714 461635352 /nfs/dbraw/zinc/63/53/52/461635352.db2.gz UWOCWRQCFLGFCG-PBHICJAKSA-N 2 2 328.447 3.343 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202714 461635363 /nfs/dbraw/zinc/63/53/63/461635363.db2.gz UWOCWRQCFLGFCG-PBHICJAKSA-N 2 2 328.447 3.343 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000656230697 461659839 /nfs/dbraw/zinc/65/98/39/461659839.db2.gz NJDGZMJBAIRYSO-SFHVURJKSA-N 2 2 325.456 3.234 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470640 461660424 /nfs/dbraw/zinc/66/04/24/461660424.db2.gz VVLDWRCNXIKSPA-RDJZCZTQSA-N 2 2 326.488 3.346 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccccc2n1C ZINC000663470640 461660431 /nfs/dbraw/zinc/66/04/31/461660431.db2.gz VVLDWRCNXIKSPA-RDJZCZTQSA-N 2 2 326.488 3.346 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000656256159 461678499 /nfs/dbraw/zinc/67/84/99/461678499.db2.gz TZKPCFYEYRNBGV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000656256159 461678508 /nfs/dbraw/zinc/67/85/08/461678508.db2.gz TZKPCFYEYRNBGV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656256159 461678514 /nfs/dbraw/zinc/67/85/14/461678514.db2.gz TZKPCFYEYRNBGV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656256159 461678522 /nfs/dbraw/zinc/67/85/22/461678522.db2.gz TZKPCFYEYRNBGV-QFBILLFUSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262167 461685413 /nfs/dbraw/zinc/68/54/13/461685413.db2.gz PLCAGMWQVZMQED-RDTXWAMCSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000656262167 461685418 /nfs/dbraw/zinc/68/54/18/461685418.db2.gz PLCAGMWQVZMQED-RDTXWAMCSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262167 461685425 /nfs/dbraw/zinc/68/54/25/461685425.db2.gz PLCAGMWQVZMQED-RDTXWAMCSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000656262167 461685431 /nfs/dbraw/zinc/68/54/31/461685431.db2.gz PLCAGMWQVZMQED-RDTXWAMCSA-N 2 2 330.451 3.092 20 0 EGADLP Cn1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C(F)F)n1 ZINC000643329158 461687776 /nfs/dbraw/zinc/68/77/76/461687776.db2.gz YFOJZFYGQWHIBP-OAHLLOKOSA-N 2 2 345.397 3.165 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643377327 461712793 /nfs/dbraw/zinc/71/27/93/461712793.db2.gz CSQBXSWCPDQTQV-RHSMWYFYSA-N 2 2 344.421 3.157 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000653561667 461723324 /nfs/dbraw/zinc/72/33/24/461723324.db2.gz OCRPYOWYMGDEFS-PHIMTYICSA-N 2 2 329.288 3.025 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000653561667 461723327 /nfs/dbraw/zinc/72/33/27/461723327.db2.gz OCRPYOWYMGDEFS-PHIMTYICSA-N 2 2 329.288 3.025 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000643502712 461749089 /nfs/dbraw/zinc/74/90/89/461749089.db2.gz OPIMZHDWYDVNOL-XSDIEEQYSA-N 3 2 327.516 3.161 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000643502712 461749096 /nfs/dbraw/zinc/74/90/96/461749096.db2.gz OPIMZHDWYDVNOL-XSDIEEQYSA-N 3 2 327.516 3.161 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000660393968 461751533 /nfs/dbraw/zinc/75/15/33/461751533.db2.gz WNTYOJBNEDTOPO-CQSZACIVSA-N 2 2 348.409 3.111 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000660393968 461751540 /nfs/dbraw/zinc/75/15/40/461751540.db2.gz WNTYOJBNEDTOPO-CQSZACIVSA-N 2 2 348.409 3.111 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccn4cc[nH+]c4c3)ccc21 ZINC000653616616 461762086 /nfs/dbraw/zinc/76/20/86/461762086.db2.gz PJUBTYLIPVJXSB-SFHVURJKSA-N 2 2 349.438 3.205 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000666774132 461797190 /nfs/dbraw/zinc/79/71/90/461797190.db2.gz CAYHEORXDLYIJB-DZGCQCFKSA-N 2 2 331.485 3.296 20 0 EGADLP c1ccc2c(CC[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)nsc2c1 ZINC000660475873 461801696 /nfs/dbraw/zinc/80/16/96/461801696.db2.gz WFRQVLJCUCNPOC-MRXNPFEDSA-N 2 2 345.512 3.026 20 0 EGADLP c1ccc2c(CC[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)nsc2c1 ZINC000660475873 461801701 /nfs/dbraw/zinc/80/17/01/461801701.db2.gz WFRQVLJCUCNPOC-MRXNPFEDSA-N 2 2 345.512 3.026 20 0 EGADLP CO[C@@H](C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000639225989 461813825 /nfs/dbraw/zinc/81/38/25/461813825.db2.gz BIPVHWDADYVPPV-FQEVSTJZSA-N 2 2 346.515 3.072 20 0 EGADLP CO[C@@H](C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000639225989 461813831 /nfs/dbraw/zinc/81/38/31/461813831.db2.gz BIPVHWDADYVPPV-FQEVSTJZSA-N 2 2 346.515 3.072 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c(=O)c1 ZINC000663831601 461827473 /nfs/dbraw/zinc/82/74/73/461827473.db2.gz WSIOVSJLICNWMZ-IBGZPJMESA-N 2 2 344.499 3.326 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c(=O)c1 ZINC000663831601 461827477 /nfs/dbraw/zinc/82/74/77/461827477.db2.gz WSIOVSJLICNWMZ-IBGZPJMESA-N 2 2 344.499 3.326 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831650 461827917 /nfs/dbraw/zinc/82/79/17/461827917.db2.gz UHJBFIOZUVGGGO-CRAIPNDOSA-N 2 2 341.455 3.155 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831650 461827921 /nfs/dbraw/zinc/82/79/21/461827921.db2.gz UHJBFIOZUVGGGO-CRAIPNDOSA-N 2 2 341.455 3.155 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(OC)c1 ZINC000647789134 461835457 /nfs/dbraw/zinc/83/54/57/461835457.db2.gz ZDKPRZKVIXWXLC-QEUVDIPISA-N 3 2 345.531 3.056 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@H]3CCC[NH2+]CC3)cs2)cc1 ZINC000666856571 461838696 /nfs/dbraw/zinc/83/86/96/461838696.db2.gz RBCFAESKSNXXSC-HNNXBMFYSA-N 2 2 331.485 3.262 20 0 EGADLP Brc1ccc(-c2c[nH]c(C[NH2+][C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000666856653 461838899 /nfs/dbraw/zinc/83/88/99/461838899.db2.gz WNSAWMFETBZMQL-AWEZNQCLSA-N 2 2 349.276 3.071 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cn21 ZINC000647803929 461845028 /nfs/dbraw/zinc/84/50/28/461845028.db2.gz DRFILFPCULRVTF-CEXWTWQISA-N 3 2 326.488 3.086 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cn21 ZINC000647803932 461845148 /nfs/dbraw/zinc/84/51/48/461845148.db2.gz DRFILFPCULRVTF-IPMKNSEASA-N 3 2 326.488 3.086 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660590548 461868158 /nfs/dbraw/zinc/86/81/58/461868158.db2.gz PIMGAOMIJDWRNW-HKUYNNGSSA-N 2 2 328.500 3.292 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000660590548 461868164 /nfs/dbraw/zinc/86/81/64/461868164.db2.gz PIMGAOMIJDWRNW-HKUYNNGSSA-N 2 2 328.500 3.292 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)o1 ZINC000650671233 461880292 /nfs/dbraw/zinc/88/02/92/461880292.db2.gz CAGMZGQMYMSSEQ-MRXNPFEDSA-N 2 2 344.459 3.078 20 0 EGADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1cccc2ccccc21 ZINC000647925252 461889140 /nfs/dbraw/zinc/88/91/40/461889140.db2.gz ADXULJFZRZKNGN-CVEARBPZSA-N 2 2 339.483 3.219 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CCC(C)([NH+]4CCCC4)CC3)cnc21 ZINC000639375494 461894643 /nfs/dbraw/zinc/89/46/43/461894643.db2.gz WKNOKIMNBLJHMD-UHFFFAOYSA-N 2 2 341.503 3.463 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647939054 461895558 /nfs/dbraw/zinc/89/55/58/461895558.db2.gz ZRTVCPTWMLGFKD-BMGDILEWSA-N 2 2 331.504 3.198 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647939054 461895562 /nfs/dbraw/zinc/89/55/62/461895562.db2.gz ZRTVCPTWMLGFKD-BMGDILEWSA-N 2 2 331.504 3.198 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939811 461895612 /nfs/dbraw/zinc/89/56/12/461895612.db2.gz BQACWSGLNZEHCI-VQIMIIECSA-N 2 2 339.483 3.252 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(CC)c2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000647939811 461895620 /nfs/dbraw/zinc/89/56/20/461895620.db2.gz BQACWSGLNZEHCI-VQIMIIECSA-N 2 2 339.483 3.252 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647938341 461896820 /nfs/dbraw/zinc/89/68/20/461896820.db2.gz KGXIVXUWXVRQOP-HWMZRRJGSA-N 2 2 343.471 3.058 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647938341 461896824 /nfs/dbraw/zinc/89/68/24/461896824.db2.gz KGXIVXUWXVRQOP-HWMZRRJGSA-N 2 2 343.471 3.058 20 0 EGADLP Clc1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000656787871 461897525 /nfs/dbraw/zinc/89/75/25/461897525.db2.gz XXGMVAQSJRLFPC-ZDUSSCGKSA-N 2 2 328.287 3.115 20 0 EGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000656790227 461899716 /nfs/dbraw/zinc/89/97/16/461899716.db2.gz KXHALKZWGCUHJI-IRXDYDNUSA-N 2 2 331.460 3.395 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656282 461907494 /nfs/dbraw/zinc/90/74/94/461907494.db2.gz TUCXTIYZYIRZBX-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656282 461907498 /nfs/dbraw/zinc/90/74/98/461907498.db2.gz TUCXTIYZYIRZBX-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656282 461907501 /nfs/dbraw/zinc/90/75/01/461907501.db2.gz TUCXTIYZYIRZBX-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656282 461907504 /nfs/dbraw/zinc/90/75/04/461907504.db2.gz TUCXTIYZYIRZBX-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647969128 461911896 /nfs/dbraw/zinc/91/18/96/461911896.db2.gz NRZZZQLKOLGDGC-LSDHHAIUSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647969128 461911899 /nfs/dbraw/zinc/91/18/99/461911899.db2.gz NRZZZQLKOLGDGC-LSDHHAIUSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647969128 461911905 /nfs/dbraw/zinc/91/19/05/461911905.db2.gz NRZZZQLKOLGDGC-LSDHHAIUSA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647969128 461911912 /nfs/dbraw/zinc/91/19/12/461911912.db2.gz NRZZZQLKOLGDGC-LSDHHAIUSA-N 2 2 327.538 3.269 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663014 461912895 /nfs/dbraw/zinc/91/28/95/461912895.db2.gz MMXHHPRLKQKHJH-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663014 461912902 /nfs/dbraw/zinc/91/29/02/461912902.db2.gz MMXHHPRLKQKHJH-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663014 461912907 /nfs/dbraw/zinc/91/29/07/461912907.db2.gz MMXHHPRLKQKHJH-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Oc3ccccc3)nn1)C2 ZINC000660663014 461912913 /nfs/dbraw/zinc/91/29/13/461912913.db2.gz MMXHHPRLKQKHJH-FQEVSTJZSA-N 2 2 338.455 3.187 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970137 461913758 /nfs/dbraw/zinc/91/37/58/461913758.db2.gz DYFXRPSUQVATBZ-GJZGRUSLSA-N 2 2 336.373 3.110 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000647970137 461913762 /nfs/dbraw/zinc/91/37/62/461913762.db2.gz DYFXRPSUQVATBZ-GJZGRUSLSA-N 2 2 336.373 3.110 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672204 461918823 /nfs/dbraw/zinc/91/88/23/461918823.db2.gz AEXYTQGZVGJFSC-YOEHRIQHSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000660672204 461918828 /nfs/dbraw/zinc/91/88/28/461918828.db2.gz AEXYTQGZVGJFSC-YOEHRIQHSA-N 2 2 328.859 3.221 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000660691517 461926039 /nfs/dbraw/zinc/92/60/39/461926039.db2.gz FMJAPHUFHGJRNK-UHFFFAOYSA-N 2 2 344.421 3.278 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CNc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000650748416 461931808 /nfs/dbraw/zinc/93/18/08/461931808.db2.gz UCXIQPAZSDARDD-YYWHXJBOSA-N 2 2 337.467 3.115 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000648003039 461933203 /nfs/dbraw/zinc/93/32/03/461933203.db2.gz CDGXXAJSQZLCEC-AWEZNQCLSA-N 2 2 325.416 3.091 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000648003039 461933210 /nfs/dbraw/zinc/93/32/10/461933210.db2.gz CDGXXAJSQZLCEC-AWEZNQCLSA-N 2 2 325.416 3.091 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000648003040 461933831 /nfs/dbraw/zinc/93/38/31/461933831.db2.gz CDGXXAJSQZLCEC-CQSZACIVSA-N 2 2 325.416 3.091 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)o1 ZINC000648003040 461933837 /nfs/dbraw/zinc/93/38/37/461933837.db2.gz CDGXXAJSQZLCEC-CQSZACIVSA-N 2 2 325.416 3.091 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648010493 461939724 /nfs/dbraw/zinc/93/97/24/461939724.db2.gz FJTCUGSIEXONMD-INIZCTEOSA-N 2 2 330.476 3.152 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648010493 461939728 /nfs/dbraw/zinc/93/97/28/461939728.db2.gz FJTCUGSIEXONMD-INIZCTEOSA-N 2 2 330.476 3.152 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CCC[NH2+]CC1 ZINC000667099622 461949000 /nfs/dbraw/zinc/94/90/00/461949000.db2.gz JAMXCVDTCQYQBE-AWEZNQCLSA-N 2 2 326.400 3.138 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)n1-c1ccccc1 ZINC000644420769 461950981 /nfs/dbraw/zinc/95/09/81/461950981.db2.gz CSOTZAZMDIVLEF-CJNGLKHVSA-N 2 2 339.361 3.116 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000667118792 461957976 /nfs/dbraw/zinc/95/79/76/461957976.db2.gz ZOVREZAVUVPKSY-KRWDZBQOSA-N 2 2 330.476 3.250 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000667118792 461957981 /nfs/dbraw/zinc/95/79/81/461957981.db2.gz ZOVREZAVUVPKSY-KRWDZBQOSA-N 2 2 330.476 3.250 20 0 EGADLP CC[C@@H](O)C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000644528674 461970771 /nfs/dbraw/zinc/97/07/71/461970771.db2.gz LSSOIQCZZURNHH-HZPDHXFCSA-N 2 2 332.410 3.449 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853377 461997326 /nfs/dbraw/zinc/99/73/26/461997326.db2.gz WQBMGMWQZPVRMQ-GJZGRUSLSA-N 2 2 342.487 3.121 20 0 EGADLP CCn1cc(CC[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000660857471 461997916 /nfs/dbraw/zinc/99/79/16/461997916.db2.gz PCAPUGXHRNADOP-UHFFFAOYSA-N 2 2 337.471 3.277 20 0 EGADLP COc1cncc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000660857923 461999054 /nfs/dbraw/zinc/99/90/54/461999054.db2.gz YMQJFLQTKQAAAA-UHFFFAOYSA-N 2 2 336.439 3.421 20 0 EGADLP c1cn(CCCC2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)c[nH+]1 ZINC000639584664 462003241 /nfs/dbraw/zinc/00/32/41/462003241.db2.gz UMOWJKIYMXGKSY-GOSISDBHSA-N 2 2 341.455 3.215 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000644653393 462023717 /nfs/dbraw/zinc/02/37/17/462023717.db2.gz DOFTZZFZXIJODM-IBGZPJMESA-N 2 2 348.437 3.381 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000644653393 462023725 /nfs/dbraw/zinc/02/37/25/462023725.db2.gz DOFTZZFZXIJODM-IBGZPJMESA-N 2 2 348.437 3.381 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000657298523 462026445 /nfs/dbraw/zinc/02/64/45/462026445.db2.gz RMJIQIHNJNVBMX-UHFFFAOYSA-N 2 2 338.499 3.224 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000657298523 462026449 /nfs/dbraw/zinc/02/64/49/462026449.db2.gz RMJIQIHNJNVBMX-UHFFFAOYSA-N 2 2 338.499 3.224 20 0 EGADLP CCCn1nccc1C[NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000657300149 462028834 /nfs/dbraw/zinc/02/88/34/462028834.db2.gz JNSJRDUHJZOPAE-IBGZPJMESA-N 2 2 326.488 3.220 20 0 EGADLP CCCn1nccc1C[NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000657300149 462028839 /nfs/dbraw/zinc/02/88/39/462028839.db2.gz JNSJRDUHJZOPAE-IBGZPJMESA-N 2 2 326.488 3.220 20 0 EGADLP c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000639661019 462045704 /nfs/dbraw/zinc/04/57/04/462045704.db2.gz MLSALQHVYNGKLS-LJQANCHMSA-N 2 2 338.451 3.081 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1C ZINC000657336957 462055744 /nfs/dbraw/zinc/05/57/44/462055744.db2.gz BVJSLGKHMLRMTF-UHFFFAOYSA-N 3 2 326.488 3.394 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)c[nH+]1 ZINC000648366879 462081983 /nfs/dbraw/zinc/08/19/83/462081983.db2.gz BYDDHVDYFOGVOU-QGZVFWFLSA-N 2 2 327.428 3.272 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)c[nH+]1 ZINC000648366879 462081986 /nfs/dbraw/zinc/08/19/86/462081986.db2.gz BYDDHVDYFOGVOU-QGZVFWFLSA-N 2 2 327.428 3.272 20 0 EGADLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(OCC(F)(F)F)c1 ZINC000657395543 462095037 /nfs/dbraw/zinc/09/50/37/462095037.db2.gz AEZBPHDXHHYPHH-UHFFFAOYSA-N 2 2 339.361 3.369 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657396346 462095315 /nfs/dbraw/zinc/09/53/15/462095315.db2.gz RDRMPTKKILWQMC-GFCCVEGCSA-N 2 2 334.261 3.313 20 0 EGADLP COc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)c(OC)c1 ZINC000667488557 462108006 /nfs/dbraw/zinc/10/80/06/462108006.db2.gz JTYQKEDFWOWQFP-QGZVFWFLSA-N 2 2 327.428 3.184 20 0 EGADLP COc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)c(OC)c1 ZINC000667488557 462108011 /nfs/dbraw/zinc/10/80/11/462108011.db2.gz JTYQKEDFWOWQFP-QGZVFWFLSA-N 2 2 327.428 3.184 20 0 EGADLP C[C@H]1C[C@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667617895 462176108 /nfs/dbraw/zinc/17/61/08/462176108.db2.gz DOIQATAXPJHVOO-PKOBYXMFSA-N 2 2 338.499 3.314 20 0 EGADLP C[C@H]1C[C@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667617895 462176116 /nfs/dbraw/zinc/17/61/16/462176116.db2.gz DOIQATAXPJHVOO-PKOBYXMFSA-N 2 2 338.499 3.314 20 0 EGADLP Cc1c(Br)cncc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000667668313 462201614 /nfs/dbraw/zinc/20/16/14/462201614.db2.gz JKSOBBYUPNCOIR-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000667668313 462201618 /nfs/dbraw/zinc/20/16/18/462201618.db2.gz JKSOBBYUPNCOIR-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1c(Br)cncc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000667668313 462201620 /nfs/dbraw/zinc/20/16/20/462201620.db2.gz JKSOBBYUPNCOIR-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1c(Br)cncc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000667668313 462201622 /nfs/dbraw/zinc/20/16/22/462201622.db2.gz JKSOBBYUPNCOIR-OAHLLOKOSA-N 2 2 340.309 3.459 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982817 462203303 /nfs/dbraw/zinc/20/33/03/462203303.db2.gz ISTFMISNTMZHJC-ZWKOTPCHSA-N 2 2 335.536 3.116 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1C ZINC000667687338 462214792 /nfs/dbraw/zinc/21/47/92/462214792.db2.gz JRBJYWVEEZVFFQ-CQSZACIVSA-N 2 2 330.501 3.443 20 0 EGADLP CCC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667758355 462249375 /nfs/dbraw/zinc/24/93/75/462249375.db2.gz BPQZVHGDIIXXQP-LJQANCHMSA-N 2 2 338.499 3.316 20 0 EGADLP CCC[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667758355 462249379 /nfs/dbraw/zinc/24/93/79/462249379.db2.gz BPQZVHGDIIXXQP-LJQANCHMSA-N 2 2 338.499 3.316 20 0 EGADLP Cc1cc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)oc2cc1C ZINC000657750349 462250090 /nfs/dbraw/zinc/25/00/90/462250090.db2.gz HXBCNPSSOMKGCZ-SFHVURJKSA-N 2 2 328.456 3.393 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000651645049 462287731 /nfs/dbraw/zinc/28/77/31/462287731.db2.gz GQVWVFZVRNBVID-HNNXBMFYSA-N 2 2 336.451 3.151 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000651645049 462287735 /nfs/dbraw/zinc/28/77/35/462287735.db2.gz GQVWVFZVRNBVID-HNNXBMFYSA-N 2 2 336.451 3.151 20 0 EGADLP CCC(CC)(C[NH2+][C@H](C)Cn1cncn1)[NH2+][C@@H](C)c1ccccc1 ZINC000657891402 462310302 /nfs/dbraw/zinc/31/03/02/462310302.db2.gz XFLXRPBOMDETRT-SJORKVTESA-N 2 2 329.492 3.166 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657902333 462312390 /nfs/dbraw/zinc/31/23/90/462312390.db2.gz ZKPDMWLWFQCCCD-KRWDZBQOSA-N 2 2 330.516 3.197 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000651786462 462335774 /nfs/dbraw/zinc/33/57/74/462335774.db2.gz ZJLLOXYKKBJPOV-LJQANCHMSA-N 2 2 326.488 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000651786462 462335777 /nfs/dbraw/zinc/33/57/77/462335777.db2.gz ZJLLOXYKKBJPOV-LJQANCHMSA-N 2 2 326.488 3.405 20 0 EGADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000661649466 462349540 /nfs/dbraw/zinc/34/95/40/462349540.db2.gz PXVMVHJZTNIHGF-LJQANCHMSA-N 2 2 334.467 3.083 20 0 EGADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccccn23)C1 ZINC000661649466 462349544 /nfs/dbraw/zinc/34/95/44/462349544.db2.gz PXVMVHJZTNIHGF-LJQANCHMSA-N 2 2 334.467 3.083 20 0 EGADLP COc1cc(F)c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1OC ZINC000651846531 462355590 /nfs/dbraw/zinc/35/55/90/462355590.db2.gz VFQUYRFKIKCNDX-UHFFFAOYSA-N 2 2 343.402 3.131 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000658070426 462367906 /nfs/dbraw/zinc/36/79/06/462367906.db2.gz YWQCUATWZKINAC-RKVPGOIHSA-N 2 2 333.907 3.239 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000658070426 462367911 /nfs/dbraw/zinc/36/79/11/462367911.db2.gz YWQCUATWZKINAC-RKVPGOIHSA-N 2 2 333.907 3.239 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000665253194 462369838 /nfs/dbraw/zinc/36/98/38/462369838.db2.gz JWPHOQBXBVGUIB-KPAZRMRSSA-N 2 2 346.425 3.168 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc(CO)c1 ZINC000665252925 462370833 /nfs/dbraw/zinc/37/08/33/462370833.db2.gz AKQVLZXIBAQUPL-YXKFXFPPSA-N 2 2 346.421 3.253 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089855 462378943 /nfs/dbraw/zinc/37/89/43/462378943.db2.gz BJPGIHOEMDOIBR-DOTOQJQBSA-N 2 2 331.504 3.429 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089855 462378948 /nfs/dbraw/zinc/37/89/48/462378948.db2.gz BJPGIHOEMDOIBR-DOTOQJQBSA-N 2 2 331.504 3.429 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000665298416 462389999 /nfs/dbraw/zinc/38/99/99/462389999.db2.gz VTISJNIGDGUVDF-BLLLJJGKSA-N 2 2 341.293 3.114 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1)CC(C)C ZINC000645845565 462443320 /nfs/dbraw/zinc/44/33/20/462443320.db2.gz SYTQMMVWOUIECQ-UHFFFAOYSA-N 2 2 347.551 3.273 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2nc(C3CC3)nn2C)CC1)CC(C)C ZINC000645845565 462443326 /nfs/dbraw/zinc/44/33/26/462443326.db2.gz SYTQMMVWOUIECQ-UHFFFAOYSA-N 2 2 347.551 3.273 20 0 EGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000645849907 462444302 /nfs/dbraw/zinc/44/43/02/462444302.db2.gz POEKTDRJXAUQLL-KRWDZBQOSA-N 2 2 338.373 3.358 20 0 EGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000645849907 462444308 /nfs/dbraw/zinc/44/43/08/462444308.db2.gz POEKTDRJXAUQLL-KRWDZBQOSA-N 2 2 338.373 3.358 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000658294653 462461659 /nfs/dbraw/zinc/46/16/59/462461659.db2.gz ONUUSACZSPSHPN-SLFFLAALSA-N 2 2 328.500 3.412 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658295054 462461763 /nfs/dbraw/zinc/46/17/63/462461763.db2.gz QYHVHOYLNFOWIS-ICSRJNTNSA-N 2 2 344.499 3.360 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658304739 462468244 /nfs/dbraw/zinc/46/82/44/462468244.db2.gz WEZUIIAHFSPADC-HZPDHXFCSA-N 2 2 340.471 3.170 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4[NH2+]CC4(C)C)cc3)[nH+]c12 ZINC000649300641 462472825 /nfs/dbraw/zinc/47/28/25/462472825.db2.gz GBLDULCJDKOMOC-KRWDZBQOSA-N 2 2 334.423 3.246 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000658353429 462487766 /nfs/dbraw/zinc/48/77/66/462487766.db2.gz MNQXEIQHHSGHQJ-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP C[C@@H](CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1)c1ccc(F)cc1 ZINC000525874813 478398605 /nfs/dbraw/zinc/39/86/05/478398605.db2.gz WEUBXKVXVXVVQJ-HNNXBMFYSA-N 2 2 328.435 3.188 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181098272 533723698 /nfs/dbraw/zinc/72/36/98/533723698.db2.gz LOECDTDEXSHRNT-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000181098272 533723709 /nfs/dbraw/zinc/72/37/09/533723709.db2.gz LOECDTDEXSHRNT-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000130669411 533874321 /nfs/dbraw/zinc/87/43/21/533874321.db2.gz ZIYLJYOCTHKPEZ-INIZCTEOSA-N 2 2 348.450 3.354 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3cccc(O)c3)c2cc1C ZINC000181515938 534138158 /nfs/dbraw/zinc/13/81/58/534138158.db2.gz PJUUHQWYWVIEHO-CRAIPNDOSA-N 2 2 339.439 3.070 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569926870 518182634 /nfs/dbraw/zinc/18/26/34/518182634.db2.gz GVRFCZYGAGZTIS-KBPBESRZSA-N 2 2 341.459 3.134 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387613 527838839 /nfs/dbraw/zinc/83/88/39/527838839.db2.gz NSLADDWCFWGTQB-SFHVURJKSA-N 2 2 344.478 3.234 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387613 527838847 /nfs/dbraw/zinc/83/88/47/527838847.db2.gz NSLADDWCFWGTQB-SFHVURJKSA-N 2 2 344.478 3.234 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387613 527838851 /nfs/dbraw/zinc/83/88/51/527838851.db2.gz NSLADDWCFWGTQB-SFHVURJKSA-N 2 2 344.478 3.234 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000187387613 527838855 /nfs/dbraw/zinc/83/88/55/527838855.db2.gz NSLADDWCFWGTQB-SFHVURJKSA-N 2 2 344.478 3.234 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)o1 ZINC000181346620 528218920 /nfs/dbraw/zinc/21/89/20/528218920.db2.gz IAZXHOLTMZWEAP-UHFFFAOYSA-N 2 2 341.411 3.065 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c(Cl)nc21 ZINC000179631932 528662941 /nfs/dbraw/zinc/66/29/41/528662941.db2.gz RZXARPYQMMRDLF-ZDUSSCGKSA-N 2 2 335.883 3.049 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c(Cl)nc21 ZINC000179631932 528662946 /nfs/dbraw/zinc/66/29/46/528662946.db2.gz RZXARPYQMMRDLF-ZDUSSCGKSA-N 2 2 335.883 3.049 20 0 EGADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000171853180 528834631 /nfs/dbraw/zinc/83/46/31/528834631.db2.gz YZHJLVOKCOTOBE-UHFFFAOYSA-N 2 2 336.439 3.105 20 0 EGADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000171853180 528834635 /nfs/dbraw/zinc/83/46/35/528834635.db2.gz YZHJLVOKCOTOBE-UHFFFAOYSA-N 2 2 336.439 3.105 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000191509517 528865575 /nfs/dbraw/zinc/86/55/75/528865575.db2.gz WOGCZEFYWODVIB-UHFFFAOYSA-N 2 2 345.472 3.469 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000191509517 528865583 /nfs/dbraw/zinc/86/55/83/528865583.db2.gz WOGCZEFYWODVIB-UHFFFAOYSA-N 2 2 345.472 3.469 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]2CCCO[C@H]21 ZINC000246505093 535072970 /nfs/dbraw/zinc/07/29/70/535072970.db2.gz XXFMERYDRRBIFP-ZTFGCOKTSA-N 2 2 329.419 3.305 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000351409949 536354312 /nfs/dbraw/zinc/35/43/12/536354312.db2.gz JDFGGGRNIJQZBD-LJQANCHMSA-N 2 2 338.499 3.231 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000351409949 536354313 /nfs/dbraw/zinc/35/43/13/536354313.db2.gz JDFGGGRNIJQZBD-LJQANCHMSA-N 2 2 338.499 3.231 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000120635138 546717006 /nfs/dbraw/zinc/71/70/06/546717006.db2.gz TXGGASWUGNDGNW-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N(C)C)nc2)C1 ZINC000120635138 546717010 /nfs/dbraw/zinc/71/70/10/546717010.db2.gz TXGGASWUGNDGNW-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000120635138 546717015 /nfs/dbraw/zinc/71/70/15/546717015.db2.gz TXGGASWUGNDGNW-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000120635138 546717019 /nfs/dbraw/zinc/71/70/19/546717019.db2.gz TXGGASWUGNDGNW-PKOBYXMFSA-N 2 2 330.520 3.234 20 0 EGADLP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(Br)c1 ZINC000312224588 547463305 /nfs/dbraw/zinc/46/33/05/547463305.db2.gz BWHRUGRULHBUMI-UHFFFAOYSA-N 2 2 338.249 3.224 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)[nH]1 ZINC000353903637 547698802 /nfs/dbraw/zinc/69/88/02/547698802.db2.gz WURADKAPJZXNBC-UHFFFAOYSA-N 2 2 332.451 3.395 20 0 EGADLP C[C@@](CO)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000361735358 547765918 /nfs/dbraw/zinc/76/59/18/547765918.db2.gz ITUFIWRKJMORTM-NRFANRHFSA-N 2 2 335.451 3.203 20 0 EGADLP C[N@@H+](Cc1ccsc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671239970 548266600 /nfs/dbraw/zinc/26/66/00/548266600.db2.gz SJOLPFMBHFARPR-LJQANCHMSA-N 2 2 330.497 3.471 20 0 EGADLP C[N@H+](Cc1ccsc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671239970 548266603 /nfs/dbraw/zinc/26/66/03/548266603.db2.gz SJOLPFMBHFARPR-LJQANCHMSA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1ccsc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671239970 548266607 /nfs/dbraw/zinc/26/66/07/548266607.db2.gz SJOLPFMBHFARPR-LJQANCHMSA-N 2 2 330.497 3.471 20 0 EGADLP C[NH+](Cc1ccsc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671239970 548266609 /nfs/dbraw/zinc/26/66/09/548266609.db2.gz SJOLPFMBHFARPR-LJQANCHMSA-N 2 2 330.497 3.471 20 0 EGADLP Cc1cccn2cc(CN3CC[C@H]([N@H+](C)Cc4ccccc4)C3)[nH+]c12 ZINC000674251746 548713443 /nfs/dbraw/zinc/71/34/43/548713443.db2.gz PHCKQTHDFLGVFQ-FQEVSTJZSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2cc(CN3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)[nH+]c12 ZINC000674251746 548713444 /nfs/dbraw/zinc/71/34/44/548713444.db2.gz PHCKQTHDFLGVFQ-FQEVSTJZSA-N 2 2 334.467 3.349 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2sccc2Br)CC1 ZINC000675771131 548978265 /nfs/dbraw/zinc/97/82/65/548978265.db2.gz LNBQSLYPULMKCY-LLVKDONJSA-N 2 2 347.322 3.272 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000675926112 549005750 /nfs/dbraw/zinc/00/57/50/549005750.db2.gz KFUYQWKEITYHIN-NVXWUHKLSA-N 2 2 344.528 3.352 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000675926112 549005752 /nfs/dbraw/zinc/00/57/52/549005752.db2.gz KFUYQWKEITYHIN-NVXWUHKLSA-N 2 2 344.528 3.352 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)[nH+]c12 ZINC000675925436 549006209 /nfs/dbraw/zinc/00/62/09/549006209.db2.gz SQOHOAXKHHVPCM-HNNXBMFYSA-N 2 2 348.450 3.421 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)[nH+]c12 ZINC000675925437 549006328 /nfs/dbraw/zinc/00/63/28/549006328.db2.gz SQOHOAXKHHVPCM-OAHLLOKOSA-N 2 2 348.450 3.421 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)s1 ZINC000676838895 549164210 /nfs/dbraw/zinc/16/42/10/549164210.db2.gz HOPGMBVXPDBLRE-CYBMUJFWSA-N 2 2 330.501 3.470 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000676901815 549176026 /nfs/dbraw/zinc/17/60/26/549176026.db2.gz FBJLSLNKNUQDKI-MRXNPFEDSA-N 2 2 332.488 3.032 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000677751236 549325860 /nfs/dbraw/zinc/32/58/60/549325860.db2.gz SOBKRPVYLRAVNF-MOPGFXCFSA-N 2 2 342.483 3.073 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000677751236 549325866 /nfs/dbraw/zinc/32/58/66/549325866.db2.gz SOBKRPVYLRAVNF-MOPGFXCFSA-N 2 2 342.483 3.073 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1 ZINC000678082037 549392803 /nfs/dbraw/zinc/39/28/03/549392803.db2.gz HSFJIDVOTAGHDT-MJGOQNOKSA-N 2 2 343.515 3.087 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1 ZINC000678082037 549392807 /nfs/dbraw/zinc/39/28/07/549392807.db2.gz HSFJIDVOTAGHDT-MJGOQNOKSA-N 2 2 343.515 3.087 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235113 549436158 /nfs/dbraw/zinc/43/61/58/549436158.db2.gz OFTRWJZRDVLYQD-AWEZNQCLSA-N 2 2 343.381 3.389 20 0 EGADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235113 549436159 /nfs/dbraw/zinc/43/61/59/549436159.db2.gz OFTRWJZRDVLYQD-AWEZNQCLSA-N 2 2 343.381 3.389 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000678335365 549471497 /nfs/dbraw/zinc/47/14/97/549471497.db2.gz YLAVADGOIJEMMH-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000678335365 549471501 /nfs/dbraw/zinc/47/15/01/549471501.db2.gz YLAVADGOIJEMMH-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000678335365 549471505 /nfs/dbraw/zinc/47/15/05/549471505.db2.gz YLAVADGOIJEMMH-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000678335365 549471508 /nfs/dbraw/zinc/47/15/08/549471508.db2.gz YLAVADGOIJEMMH-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781848 549560913 /nfs/dbraw/zinc/56/09/13/549560913.db2.gz BSCZWTCTXDTYGJ-FXAWDEMLSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1cc(F)ccc1F ZINC000678781848 549560915 /nfs/dbraw/zinc/56/09/15/549560915.db2.gz BSCZWTCTXDTYGJ-FXAWDEMLSA-N 2 2 348.437 3.498 20 0 EGADLP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000678839860 549576139 /nfs/dbraw/zinc/57/61/39/549576139.db2.gz DEQFZPGSOQWWTC-QGZVFWFLSA-N 2 2 337.471 3.305 20 0 EGADLP CCc1nn(C)cc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000678839860 549576142 /nfs/dbraw/zinc/57/61/42/549576142.db2.gz DEQFZPGSOQWWTC-QGZVFWFLSA-N 2 2 337.471 3.305 20 0 EGADLP Cn1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc21 ZINC000684026644 550282982 /nfs/dbraw/zinc/28/29/82/550282982.db2.gz BBAKAWLPXNPAAW-UHFFFAOYSA-N 2 2 349.482 3.486 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684203230 550303659 /nfs/dbraw/zinc/30/36/59/550303659.db2.gz DYXYHLZNDXCENM-LEWJYISDSA-N 2 2 335.451 3.277 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684203230 550303662 /nfs/dbraw/zinc/30/36/62/550303662.db2.gz DYXYHLZNDXCENM-LEWJYISDSA-N 2 2 335.451 3.277 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4nc5c(s4)CCC5)C[C@@H]3C2)cc1 ZINC000684413072 550327154 /nfs/dbraw/zinc/32/71/54/550327154.db2.gz MXAZMKRVKQLSMU-CALCHBBNSA-N 2 2 339.508 3.196 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4nc5c(s4)CCC5)C[C@@H]3C2)cc1 ZINC000684413072 550327156 /nfs/dbraw/zinc/32/71/56/550327156.db2.gz MXAZMKRVKQLSMU-CALCHBBNSA-N 2 2 339.508 3.196 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4nc5c(s4)CCC5)C[C@@H]3C2)cc1 ZINC000684413072 550327157 /nfs/dbraw/zinc/32/71/57/550327157.db2.gz MXAZMKRVKQLSMU-CALCHBBNSA-N 2 2 339.508 3.196 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4nc5c(s4)CCC5)C[C@@H]3C2)cc1 ZINC000684413072 550327159 /nfs/dbraw/zinc/32/71/59/550327159.db2.gz MXAZMKRVKQLSMU-CALCHBBNSA-N 2 2 339.508 3.196 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000684611636 550348238 /nfs/dbraw/zinc/34/82/38/550348238.db2.gz JYDMYPGJFQKWHJ-AWEZNQCLSA-N 2 2 344.421 3.337 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000727491859 574671383 /nfs/dbraw/zinc/67/13/83/574671383.db2.gz QTZXIOBMNIWUAQ-KRWDZBQOSA-N 2 2 346.475 3.163 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCc4c(C)cccc4C3)c2cc1C ZINC000729480338 574865215 /nfs/dbraw/zinc/86/52/15/574865215.db2.gz VEFXXFUSGGDMAR-LJQANCHMSA-N 2 2 349.478 3.381 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCc4c(C)cccc4C3)c2cc1C ZINC000729480338 574865216 /nfs/dbraw/zinc/86/52/16/574865216.db2.gz VEFXXFUSGGDMAR-LJQANCHMSA-N 2 2 349.478 3.381 20 0 EGADLP O[C@H](C[N@H+](Cc1c(F)cccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543453 574870391 /nfs/dbraw/zinc/87/03/91/574870391.db2.gz FZZMGCXKAGCBSG-INIZCTEOSA-N 2 2 338.442 3.166 20 0 EGADLP O[C@H](C[N@@H+](Cc1c(F)cccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543453 574870393 /nfs/dbraw/zinc/87/03/93/574870393.db2.gz FZZMGCXKAGCBSG-INIZCTEOSA-N 2 2 338.442 3.166 20 0 EGADLP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC(C)(C)C ZINC000738414122 576322772 /nfs/dbraw/zinc/32/27/72/576322772.db2.gz DIUKWAZKSMVZMT-AWEZNQCLSA-N 2 2 338.517 3.280 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cnn4ccccc34)CC2)cc1 ZINC000742378299 576776328 /nfs/dbraw/zinc/77/63/28/576776328.db2.gz QBAYCTPPECTBBD-UHFFFAOYSA-N 2 2 349.482 3.159 20 0 EGADLP C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000048682225 1291615500 /nfs/dbraw/zinc/61/55/00/1291615500.db2.gz UEMAOQFDRZOYEY-INIZCTEOSA-N 2 2 348.454 3.113 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]Cc3cccc4c3OCCCO4)c2)c[nH+]1 ZINC000048711347 1291617398 /nfs/dbraw/zinc/61/73/98/1291617398.db2.gz RHEJXHCJEMASDU-UHFFFAOYSA-N 2 2 349.434 3.383 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)Cn1cc[nH+]c1 ZINC000062254698 1291984260 /nfs/dbraw/zinc/98/42/60/1291984260.db2.gz IEJJFEOCWYDJEY-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP CCN(CC)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000079751489 1292573471 /nfs/dbraw/zinc/57/34/71/1292573471.db2.gz TYDWUYDCRZSLLJ-UHFFFAOYSA-N 2 2 335.455 3.403 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000090117566 1292789064 /nfs/dbraw/zinc/78/90/64/1292789064.db2.gz QXUNZPMFEHUNKJ-QRWLVFNGSA-N 2 2 338.430 3.093 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000090117566 1292789069 /nfs/dbraw/zinc/78/90/69/1292789069.db2.gz QXUNZPMFEHUNKJ-QRWLVFNGSA-N 2 2 338.430 3.093 20 0 EGADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000093067046 1292905292 /nfs/dbraw/zinc/90/52/92/1292905292.db2.gz FGNPJEZPDZFWTE-QGZVFWFLSA-N 2 2 341.524 3.286 20 0 EGADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3nc4c(s3)CCC4)C2)cc1 ZINC000093067046 1292905298 /nfs/dbraw/zinc/90/52/98/1292905298.db2.gz FGNPJEZPDZFWTE-QGZVFWFLSA-N 2 2 341.524 3.286 20 0 EGADLP CC[NH+](CC)C1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000121695862 1293384440 /nfs/dbraw/zinc/38/44/40/1293384440.db2.gz GEKAYENZKYTEMW-UHFFFAOYSA-N 2 2 326.488 3.487 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000124295486 1293472281 /nfs/dbraw/zinc/47/22/81/1293472281.db2.gz DXYFTPHDYBGZDT-UHFFFAOYSA-N 2 2 337.423 3.000 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000124295486 1293472285 /nfs/dbraw/zinc/47/22/85/1293472285.db2.gz DXYFTPHDYBGZDT-UHFFFAOYSA-N 2 2 337.423 3.000 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000128656581 1293600601 /nfs/dbraw/zinc/60/06/01/1293600601.db2.gz KXCUCIKGZLWMND-KBPBESRZSA-N 2 2 341.293 3.420 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(O)CCCCCC3)CC2)cc1 ZINC000129832145 1293636441 /nfs/dbraw/zinc/63/64/41/1293636441.db2.gz HKFKNGIPIGXMBH-UHFFFAOYSA-N 2 2 345.531 3.396 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC000178554259 1294741833 /nfs/dbraw/zinc/74/18/33/1294741833.db2.gz KMHCZWUQXWVIOJ-QGZVFWFLSA-N 2 2 344.421 3.289 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404109 1295261976 /nfs/dbraw/zinc/26/19/76/1295261976.db2.gz IKKQUVPFQCAYMD-GHMZBOCLSA-N 2 2 345.256 3.286 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404109 1295261982 /nfs/dbraw/zinc/26/19/82/1295261982.db2.gz IKKQUVPFQCAYMD-GHMZBOCLSA-N 2 2 345.256 3.286 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000229052337 1296156560 /nfs/dbraw/zinc/15/65/60/1296156560.db2.gz NCOLMZAWDFNEBE-HOTGVXAUSA-N 2 2 327.513 3.001 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000237417717 1296242020 /nfs/dbraw/zinc/24/20/20/1296242020.db2.gz BPGMFHBBQXTKDM-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OC(F)F ZINC000237417717 1296242029 /nfs/dbraw/zinc/24/20/29/1296242029.db2.gz BPGMFHBBQXTKDM-KBPBESRZSA-N 2 2 326.387 3.013 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237739323 1296261219 /nfs/dbraw/zinc/26/12/19/1296261219.db2.gz BUVLIJSBAAYKBR-KRWDZBQOSA-N 2 2 346.906 3.036 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237739323 1296261230 /nfs/dbraw/zinc/26/12/30/1296261230.db2.gz BUVLIJSBAAYKBR-KRWDZBQOSA-N 2 2 346.906 3.036 20 0 EGADLP [NH3+][C@@H](C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1)C1CCCC1 ZINC000871666320 1296471801 /nfs/dbraw/zinc/47/18/01/1296471801.db2.gz CIVRDFHHYKENIT-WMZOPIPTSA-N 2 2 343.519 3.201 20 0 EGADLP [NH3+][C@@H](C[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1)C1CCCC1 ZINC000871666320 1296471805 /nfs/dbraw/zinc/47/18/05/1296471805.db2.gz CIVRDFHHYKENIT-WMZOPIPTSA-N 2 2 343.519 3.201 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)ccc1F ZINC000872058479 1296705591 /nfs/dbraw/zinc/70/55/91/1296705591.db2.gz VIIGFWIEKSZFDC-HIFRSBDPSA-N 2 2 344.434 3.240 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147437 1296767061 /nfs/dbraw/zinc/76/70/61/1296767061.db2.gz ATFSVBYHTFSMRC-FZMZJTMJSA-N 2 2 343.324 3.050 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147437 1296767074 /nfs/dbraw/zinc/76/70/74/1296767074.db2.gz ATFSVBYHTFSMRC-FZMZJTMJSA-N 2 2 343.324 3.050 20 0 EGADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000301708752 1296793000 /nfs/dbraw/zinc/79/30/00/1296793000.db2.gz MNAUQHPBCGTIRI-IXDOHACOSA-N 2 2 341.540 3.484 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044918 1297082536 /nfs/dbraw/zinc/08/25/36/1297082536.db2.gz DODPWTYQUXTKDD-RDJZCZTQSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000310044918 1297082550 /nfs/dbraw/zinc/08/25/50/1297082550.db2.gz DODPWTYQUXTKDD-RDJZCZTQSA-N 2 2 339.524 3.238 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000310641797 1297097008 /nfs/dbraw/zinc/09/70/08/1297097008.db2.gz CDKQUGRWBGGXNG-MRXNPFEDSA-N 2 2 344.459 3.265 20 0 EGADLP CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209634 1297353930 /nfs/dbraw/zinc/35/39/30/1297353930.db2.gz RBFUUPQJTIGCFG-INIZCTEOSA-N 2 2 330.501 3.337 20 0 EGADLP CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873209634 1297353938 /nfs/dbraw/zinc/35/39/38/1297353938.db2.gz RBFUUPQJTIGCFG-INIZCTEOSA-N 2 2 330.501 3.337 20 0 EGADLP Cc1cc(NC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c(C)c[nH+]1 ZINC000873314344 1297427605 /nfs/dbraw/zinc/42/76/05/1297427605.db2.gz NFHTXWITHDDZTK-WMZOPIPTSA-N 2 2 344.503 3.272 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647229 1297508319 /nfs/dbraw/zinc/50/83/19/1297508319.db2.gz CBBWLPAJTMXCOF-KGLIPLIRSA-N 2 2 331.416 3.049 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647229 1297508324 /nfs/dbraw/zinc/50/83/24/1297508324.db2.gz CBBWLPAJTMXCOF-KGLIPLIRSA-N 2 2 331.416 3.049 20 0 EGADLP C[C@@]1(C[NH2+]Cc2cn3ccccc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000386218378 1297588469 /nfs/dbraw/zinc/58/84/69/1297588469.db2.gz YQFXIYUUFZOTDZ-NRFANRHFSA-N 2 2 334.467 3.336 20 0 EGADLP C[C@@]1(C[NH2+]Cc2cn3ccccc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000386218378 1297588475 /nfs/dbraw/zinc/58/84/75/1297588475.db2.gz YQFXIYUUFZOTDZ-NRFANRHFSA-N 2 2 334.467 3.336 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415135928 1297779093 /nfs/dbraw/zinc/77/90/93/1297779093.db2.gz KXJAUJAGYWBSRA-OAQYLSRUSA-N 2 2 332.451 3.353 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415135928 1297779106 /nfs/dbraw/zinc/77/91/06/1297779106.db2.gz KXJAUJAGYWBSRA-OAQYLSRUSA-N 2 2 332.451 3.353 20 0 EGADLP Cc1nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000715534027 1298279796 /nfs/dbraw/zinc/27/97/96/1298279796.db2.gz UDGFQJQVBREFMR-VXGBXAGGSA-N 2 2 327.270 3.141 20 0 EGADLP Cc1nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000715534022 1298280683 /nfs/dbraw/zinc/28/06/83/1298280683.db2.gz UDGFQJQVBREFMR-NWDGAFQWSA-N 2 2 327.270 3.141 20 0 EGADLP O=C(CC[NH2+]CC1CC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000876731497 1298943207 /nfs/dbraw/zinc/94/32/07/1298943207.db2.gz RPEREWVACZBODI-UHFFFAOYSA-N 2 2 338.455 3.215 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(Cl)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168407 1299190162 /nfs/dbraw/zinc/19/01/62/1299190162.db2.gz SZHDPBDWFYKKOS-GDBMZVCRSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(Cl)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168407 1299190167 /nfs/dbraw/zinc/19/01/67/1299190167.db2.gz SZHDPBDWFYKKOS-GDBMZVCRSA-N 2 2 330.863 3.130 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000877479676 1299331570 /nfs/dbraw/zinc/33/15/70/1299331570.db2.gz XPLHOEAEZFFCNU-MRXNPFEDSA-N 2 2 348.441 3.281 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(-c2cc(F)ccc2F)n1 ZINC000877479676 1299331579 /nfs/dbraw/zinc/33/15/79/1299331579.db2.gz XPLHOEAEZFFCNU-MRXNPFEDSA-N 2 2 348.441 3.281 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3Cc4cccnc4N4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000877715905 1299501926 /nfs/dbraw/zinc/50/19/26/1299501926.db2.gz LSKJYWVARUGZMW-HXUWFJFHSA-N 2 2 345.450 3.252 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3Cc4cccnc4N4CCC[C@@H]4C3)cc2)c[nH+]1 ZINC000877715905 1299501938 /nfs/dbraw/zinc/50/19/38/1299501938.db2.gz LSKJYWVARUGZMW-HXUWFJFHSA-N 2 2 345.450 3.252 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125638 1299764599 /nfs/dbraw/zinc/76/45/99/1299764599.db2.gz PORMUISCAGNTGN-IEBWSBKVSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125638 1299764609 /nfs/dbraw/zinc/76/46/09/1299764609.db2.gz PORMUISCAGNTGN-IEBWSBKVSA-N 2 2 329.488 3.130 20 0 EGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000753858406 1300031258 /nfs/dbraw/zinc/03/12/58/1300031258.db2.gz KPNVRHOFSFDSJR-KSSFIOAISA-N 2 2 336.426 3.185 20 0 EGADLP CC(C)[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCCC1 ZINC000754499615 1300152955 /nfs/dbraw/zinc/15/29/55/1300152955.db2.gz NGHURCAYRHMZEO-IBGZPJMESA-N 2 2 341.455 3.426 20 0 EGADLP COc1cc2c(cc1OC)C(C)(C)[N@H+](CCn1cc[nH+]c1C)CC2 ZINC000880392476 1301101663 /nfs/dbraw/zinc/10/16/63/1301101663.db2.gz AJRGJMNGRZFFTF-UHFFFAOYSA-N 2 2 329.444 3.002 20 0 EGADLP COc1cc2c(cc1OC)C(C)(C)[N@@H+](CCn1cc[nH+]c1C)CC2 ZINC000880392476 1301101668 /nfs/dbraw/zinc/10/16/68/1301101668.db2.gz AJRGJMNGRZFFTF-UHFFFAOYSA-N 2 2 329.444 3.002 20 0 EGADLP CO[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)Cc1ccccc1 ZINC000880568842 1301164444 /nfs/dbraw/zinc/16/44/44/1301164444.db2.gz FAXPXJFNXOMFGS-NHCUHLMSSA-N 2 2 335.451 3.472 20 0 EGADLP COc1ccc(OCC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880568563 1301164785 /nfs/dbraw/zinc/16/47/85/1301164785.db2.gz CIIUIPACCQOKKF-FQEVSTJZSA-N 2 2 337.423 3.302 20 0 EGADLP c1cn(C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)c2ccccc2)c[nH+]1 ZINC000880569116 1301166248 /nfs/dbraw/zinc/16/62/48/1301166248.db2.gz HULGTGLPWWYXKW-GOSISDBHSA-N 2 2 335.407 3.185 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860047 1301179484 /nfs/dbraw/zinc/17/94/84/1301179484.db2.gz XCASVVAHUFCLEF-CRAIPNDOSA-N 2 2 340.870 3.463 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860047 1301179487 /nfs/dbraw/zinc/17/94/87/1301179487.db2.gz XCASVVAHUFCLEF-CRAIPNDOSA-N 2 2 340.870 3.463 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Br)ncc1F ZINC000762737533 1301741132 /nfs/dbraw/zinc/74/11/32/1301741132.db2.gz SHVKDXHISNDEAI-NSHDSACASA-N 2 2 341.228 3.311 20 0 EGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000764107122 1302013232 /nfs/dbraw/zinc/01/32/32/1302013232.db2.gz HVQKTPNNESWMQI-UHFFFAOYSA-N 2 2 336.439 3.058 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000765322438 1302245165 /nfs/dbraw/zinc/24/51/65/1302245165.db2.gz FRQZYUGEZWZMSR-QAPCUYQASA-N 2 2 326.488 3.370 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000765322438 1302245171 /nfs/dbraw/zinc/24/51/71/1302245171.db2.gz FRQZYUGEZWZMSR-QAPCUYQASA-N 2 2 326.488 3.370 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765793509 1302328900 /nfs/dbraw/zinc/32/89/00/1302328900.db2.gz ZBEYAQWNPYOSPG-IMJJTQAJSA-N 2 2 338.879 3.253 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765793509 1302328909 /nfs/dbraw/zinc/32/89/09/1302328909.db2.gz ZBEYAQWNPYOSPG-IMJJTQAJSA-N 2 2 338.879 3.253 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765795302 1302329918 /nfs/dbraw/zinc/32/99/18/1302329918.db2.gz AVNIPPQZQZSCFI-WWGRRREGSA-N 2 2 338.904 3.330 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765795302 1302329930 /nfs/dbraw/zinc/32/99/30/1302329930.db2.gz AVNIPPQZQZSCFI-WWGRRREGSA-N 2 2 338.904 3.330 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000883388193 1302428060 /nfs/dbraw/zinc/42/80/60/1302428060.db2.gz OZFYXUHBMLTHDV-APWZRJJASA-N 2 2 336.439 3.249 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883397590 1302431953 /nfs/dbraw/zinc/43/19/53/1302431953.db2.gz QFSNQGSCWQEJCV-LJQANCHMSA-N 2 2 335.455 3.265 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414025 1302666679 /nfs/dbraw/zinc/66/66/79/1302666679.db2.gz DTVIWPZRMCGIDB-PMACEKPBSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000767414025 1302666695 /nfs/dbraw/zinc/66/66/95/1302666695.db2.gz DTVIWPZRMCGIDB-PMACEKPBSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414025 1302666708 /nfs/dbraw/zinc/66/67/08/1302666708.db2.gz DTVIWPZRMCGIDB-PMACEKPBSA-N 2 2 326.484 3.342 20 0 EGADLP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000767414025 1302666717 /nfs/dbraw/zinc/66/67/17/1302666717.db2.gz DTVIWPZRMCGIDB-PMACEKPBSA-N 2 2 326.484 3.342 20 0 EGADLP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000886648028 1303538601 /nfs/dbraw/zinc/53/86/01/1303538601.db2.gz JXVLYAZBGOPMOR-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000886648028 1303538605 /nfs/dbraw/zinc/53/86/05/1303538605.db2.gz JXVLYAZBGOPMOR-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000886648028 1303538611 /nfs/dbraw/zinc/53/86/11/1303538611.db2.gz JXVLYAZBGOPMOR-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000886648028 1303538618 /nfs/dbraw/zinc/53/86/18/1303538618.db2.gz JXVLYAZBGOPMOR-ZWKOTPCHSA-N 2 2 325.431 3.175 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000772951954 1303597524 /nfs/dbraw/zinc/59/75/24/1303597524.db2.gz PUHUSYKKPYZJEB-PWSUYJOCSA-N 2 2 330.259 3.004 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000772951954 1303597529 /nfs/dbraw/zinc/59/75/29/1303597529.db2.gz PUHUSYKKPYZJEB-PWSUYJOCSA-N 2 2 330.259 3.004 20 0 EGADLP C[C@@H](CCO)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000779344660 1304559672 /nfs/dbraw/zinc/55/96/72/1304559672.db2.gz JORCUENVWAWUDC-KRWDZBQOSA-N 2 2 335.451 3.459 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cn1 ZINC000779402441 1304566965 /nfs/dbraw/zinc/56/69/65/1304566965.db2.gz BIROGQOYLAWCDD-IEBWSBKVSA-N 2 2 335.467 3.151 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000780521939 1304704368 /nfs/dbraw/zinc/70/43/68/1304704368.db2.gz AZGFHCKCVCTEJA-GJZGRUSLSA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000780521939 1304704371 /nfs/dbraw/zinc/70/43/71/1304704371.db2.gz AZGFHCKCVCTEJA-GJZGRUSLSA-N 2 2 348.796 3.312 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000783997463 1305172826 /nfs/dbraw/zinc/17/28/26/1305172826.db2.gz VGJGWDIUOYOLBI-ZWKOTPCHSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000783997463 1305172832 /nfs/dbraw/zinc/17/28/32/1305172832.db2.gz VGJGWDIUOYOLBI-ZWKOTPCHSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C2CC2)n1 ZINC000891920928 1305210394 /nfs/dbraw/zinc/21/03/94/1305210394.db2.gz LKXNQINGABNIQT-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C2CC2)n1 ZINC000891920928 1305210401 /nfs/dbraw/zinc/21/04/01/1305210401.db2.gz LKXNQINGABNIQT-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228242 1305287108 /nfs/dbraw/zinc/28/71/08/1305287108.db2.gz NPULKAGJFUQVPA-WCQYABFASA-N 2 2 333.423 3.164 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228242 1305287111 /nfs/dbraw/zinc/28/71/11/1305287111.db2.gz NPULKAGJFUQVPA-WCQYABFASA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228242 1305287116 /nfs/dbraw/zinc/28/71/16/1305287116.db2.gz NPULKAGJFUQVPA-WCQYABFASA-N 2 2 333.423 3.164 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(CC(F)(F)F)s3)CC[C@H]21 ZINC000892228242 1305287118 /nfs/dbraw/zinc/28/71/18/1305287118.db2.gz NPULKAGJFUQVPA-WCQYABFASA-N 2 2 333.423 3.164 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cnc1F ZINC000893202520 1305758915 /nfs/dbraw/zinc/75/89/15/1305758915.db2.gz JPZGTGYKIOVJAV-OAHLLOKOSA-N 2 2 328.435 3.239 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000788246419 1305906531 /nfs/dbraw/zinc/90/65/31/1305906531.db2.gz DDKJSDDFHRBBPA-PVAVHDDUSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000788246419 1305906538 /nfs/dbraw/zinc/90/65/38/1305906538.db2.gz DDKJSDDFHRBBPA-PVAVHDDUSA-N 2 2 339.524 3.285 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788434642 1305940587 /nfs/dbraw/zinc/94/05/87/1305940587.db2.gz FHZQEIHUPPUMNA-IXDOHACOSA-N 2 2 349.906 3.080 20 0 EGADLP CC(C)(C)c1nnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000789358445 1306147339 /nfs/dbraw/zinc/14/73/39/1306147339.db2.gz RZEYEONCQZBFAO-UHFFFAOYSA-N 2 2 343.475 3.280 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000893980085 1306161547 /nfs/dbraw/zinc/16/15/47/1306161547.db2.gz GXHDFLDHMOOVSJ-GZUQHIBUSA-N 2 2 345.506 3.329 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062905 1306198487 /nfs/dbraw/zinc/19/84/87/1306198487.db2.gz GNJQZRUEIBMLFD-OAHLLOKOSA-N 2 2 343.471 3.118 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062905 1306198490 /nfs/dbraw/zinc/19/84/90/1306198490.db2.gz GNJQZRUEIBMLFD-OAHLLOKOSA-N 2 2 343.471 3.118 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062905 1306198494 /nfs/dbraw/zinc/19/84/94/1306198494.db2.gz GNJQZRUEIBMLFD-OAHLLOKOSA-N 2 2 343.471 3.118 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062905 1306198496 /nfs/dbraw/zinc/19/84/96/1306198496.db2.gz GNJQZRUEIBMLFD-OAHLLOKOSA-N 2 2 343.471 3.118 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000790497151 1306338544 /nfs/dbraw/zinc/33/85/44/1306338544.db2.gz KXZAVYXRTROHMS-RBSFLKMASA-N 2 2 346.462 3.064 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000790497151 1306338554 /nfs/dbraw/zinc/33/85/54/1306338554.db2.gz KXZAVYXRTROHMS-RBSFLKMASA-N 2 2 346.462 3.064 20 0 EGADLP c1cn(CCCC2CC[NH+](Cc3cnn(C4CCC4)c3)CC2)c[nH+]1 ZINC000894472148 1308908639 /nfs/dbraw/zinc/90/86/39/1308908639.db2.gz PYIRNNKMFFPJIA-UHFFFAOYSA-N 2 2 327.476 3.497 20 0 EGADLP Nc1cc(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC000791546820 1309022534 /nfs/dbraw/zinc/02/25/34/1309022534.db2.gz VLZUPSSIMDARAU-UHFFFAOYSA-N 2 2 325.412 3.007 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n(C)n1 ZINC000793521757 1309392103 /nfs/dbraw/zinc/39/21/03/1309392103.db2.gz LUNDIVVXEKXRQN-ZDUSSCGKSA-N 2 2 327.407 3.213 20 0 EGADLP c1cn(C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c[nH+]1 ZINC000895707847 1309479578 /nfs/dbraw/zinc/47/95/78/1309479578.db2.gz WJXBSDGSXYLMAX-NRFANRHFSA-N 3 2 347.466 3.278 20 0 EGADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794223545 1309489623 /nfs/dbraw/zinc/48/96/23/1309489623.db2.gz XRFLPSWSYZWNLG-UHFFFAOYSA-N 2 2 334.851 3.325 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164578 1310496343 /nfs/dbraw/zinc/49/63/43/1310496343.db2.gz LVUYPSZVLSPPRI-WMLDXEAASA-N 2 2 330.863 3.130 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164578 1310496347 /nfs/dbraw/zinc/49/63/47/1310496347.db2.gz LVUYPSZVLSPPRI-WMLDXEAASA-N 2 2 330.863 3.130 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccco1 ZINC000899076097 1310926773 /nfs/dbraw/zinc/92/67/73/1310926773.db2.gz JSQBREDJPDSYTL-LRDDRELGSA-N 2 2 326.400 3.015 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000825005306 1320303326 /nfs/dbraw/zinc/30/33/26/1320303326.db2.gz GQJJMIGKOCPGEV-MRXNPFEDSA-N 2 2 341.503 3.289 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000825101964 1320310146 /nfs/dbraw/zinc/31/01/46/1320310146.db2.gz IVRNBVBVDKTVPU-XHSDSOJGSA-N 2 2 346.462 3.208 20 0 EGADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929474739 1328608680 /nfs/dbraw/zinc/60/86/80/1328608680.db2.gz XHZXRIPTUOCPES-LJQANCHMSA-N 2 2 334.423 3.130 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)c(C)[nH+]1 ZINC001019171945 1317086402 /nfs/dbraw/zinc/08/64/02/1317086402.db2.gz YOLOHFQTHIJOIE-SFHVURJKSA-N 2 2 341.499 3.391 20 0 EGADLP CC[C@@H](C)C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000900000186 1317216544 /nfs/dbraw/zinc/21/65/44/1317216544.db2.gz CXYUEQOHSFYTSG-RHSMWYFYSA-N 2 2 344.459 3.005 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+]CC4CCCCC4)C3)ccn12 ZINC001020153513 1317565706 /nfs/dbraw/zinc/56/57/06/1317565706.db2.gz MPYFTXROAYMRTM-IYARVYRRSA-N 2 2 340.471 3.073 20 0 EGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@H]2CCC[NH2+]2)cc1 ZINC000902436142 1317578005 /nfs/dbraw/zinc/57/80/05/1317578005.db2.gz XMAMFUGQBPTKQS-LDTOTXGLSA-N 2 2 332.488 3.019 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)c1ccccc1 ZINC000957790387 1317646154 /nfs/dbraw/zinc/64/61/54/1317646154.db2.gz UHOVMYFCGUXPIZ-HXUWFJFHSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cn(C)cn2)C1 ZINC000808379050 1317668526 /nfs/dbraw/zinc/66/85/26/1317668526.db2.gz DZLVNEYSINFEFS-IRXDYDNUSA-N 2 2 326.488 3.188 20 0 EGADLP CN(C)c1cc[nH+]c(C[NH2+][C@H](c2ccccc2)C2CCOCC2)c1 ZINC000903198340 1317672615 /nfs/dbraw/zinc/67/26/15/1317672615.db2.gz JCVCSUUPXLVOSD-HXUWFJFHSA-N 2 2 325.456 3.405 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765447 1317730570 /nfs/dbraw/zinc/73/05/70/1317730570.db2.gz HIKLDJKMEUXAJO-SUMWQHHRSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765447 1317730573 /nfs/dbraw/zinc/73/05/73/1317730573.db2.gz HIKLDJKMEUXAJO-SUMWQHHRSA-N 2 2 341.282 3.120 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000904305606 1317827174 /nfs/dbraw/zinc/82/71/74/1317827174.db2.gz QMCXPJMKWTXSPX-CVEARBPZSA-N 2 2 329.492 3.062 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000904305606 1317827182 /nfs/dbraw/zinc/82/71/82/1317827182.db2.gz QMCXPJMKWTXSPX-CVEARBPZSA-N 2 2 329.492 3.062 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904421135 1317846052 /nfs/dbraw/zinc/84/60/52/1317846052.db2.gz PUCWNILGRCOVFH-LSDHHAIUSA-N 2 2 338.879 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904421135 1317846057 /nfs/dbraw/zinc/84/60/57/1317846057.db2.gz PUCWNILGRCOVFH-LSDHHAIUSA-N 2 2 338.879 3.179 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(-c2cnn(C)c2)c1 ZINC000904458664 1317850283 /nfs/dbraw/zinc/85/02/83/1317850283.db2.gz DRAYGQHBGACTHE-NHCUHLMSSA-N 2 2 332.451 3.110 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000905097037 1317922770 /nfs/dbraw/zinc/92/27/70/1317922770.db2.gz KULRKWHHCCEUHW-MJGOQNOKSA-N 2 2 348.531 3.152 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575967 1318422686 /nfs/dbraw/zinc/42/26/86/1318422686.db2.gz PTLZTTOAFAGUQF-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575967 1318422689 /nfs/dbraw/zinc/42/26/89/1318422689.db2.gz PTLZTTOAFAGUQF-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022230720 1318851987 /nfs/dbraw/zinc/85/19/87/1318851987.db2.gz ICXPKFWMHLHHDG-XMTFNYHQSA-N 2 2 344.503 3.111 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022230720 1318852000 /nfs/dbraw/zinc/85/20/00/1318852000.db2.gz ICXPKFWMHLHHDG-XMTFNYHQSA-N 2 2 344.503 3.111 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901041 1319042223 /nfs/dbraw/zinc/04/22/23/1319042223.db2.gz LZRYPLKFZNHZCD-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901041 1319042229 /nfs/dbraw/zinc/04/22/29/1319042229.db2.gz LZRYPLKFZNHZCD-HKUYNNGSSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905679 1319049448 /nfs/dbraw/zinc/04/94/48/1319049448.db2.gz XMQSGWWROQSFQQ-WBVHZDCISA-N 2 2 346.500 3.019 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905679 1319049457 /nfs/dbraw/zinc/04/94/57/1319049457.db2.gz XMQSGWWROQSFQQ-WBVHZDCISA-N 2 2 346.500 3.019 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557915 1319182511 /nfs/dbraw/zinc/18/25/11/1319182511.db2.gz GQNFNDGQDLOPQA-DOTOQJQBSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557915 1319182521 /nfs/dbraw/zinc/18/25/21/1319182521.db2.gz GQNFNDGQDLOPQA-DOTOQJQBSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557917 1319182550 /nfs/dbraw/zinc/18/25/50/1319182550.db2.gz GQNFNDGQDLOPQA-RDJZCZTQSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816557917 1319182554 /nfs/dbraw/zinc/18/25/54/1319182554.db2.gz GQNFNDGQDLOPQA-RDJZCZTQSA-N 2 2 339.524 3.094 20 0 EGADLP NC(=[NH+]OCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCOC1 ZINC000818093650 1319499485 /nfs/dbraw/zinc/49/94/85/1319499485.db2.gz UJKXONSFNFPNPC-SFHVURJKSA-N 2 2 331.460 3.098 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487101 1319592048 /nfs/dbraw/zinc/59/20/48/1319592048.db2.gz BCCWXJRIHKDNSO-MRXNPFEDSA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001023487101 1319592054 /nfs/dbraw/zinc/59/20/54/1319592054.db2.gz BCCWXJRIHKDNSO-MRXNPFEDSA-N 2 2 342.487 3.212 20 0 EGADLP O[C@H](C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000819057172 1319623762 /nfs/dbraw/zinc/62/37/62/1319623762.db2.gz SYLGZPMOFVOMNF-GOSISDBHSA-N 2 2 334.529 3.061 20 0 EGADLP O[C@@H](C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000917017813 1319740316 /nfs/dbraw/zinc/74/03/16/1319740316.db2.gz ZHOUPVCVOCOOKL-OAHLLOKOSA-N 2 2 343.298 3.415 20 0 EGADLP O[C@@H](C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C[NH+]1CCCC1 ZINC000917017813 1319740323 /nfs/dbraw/zinc/74/03/23/1319740323.db2.gz ZHOUPVCVOCOOKL-OAHLLOKOSA-N 2 2 343.298 3.415 20 0 EGADLP O=C(NC1CC(C[NH2+]CC2CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC000962076897 1319818704 /nfs/dbraw/zinc/81/87/04/1319818704.db2.gz RUPPAWAGODTXPK-UHFFFAOYSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1ncsc1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824738913 1320281715 /nfs/dbraw/zinc/28/17/15/1320281715.db2.gz SEFFERBEZCBBNM-UHFFFAOYSA-N 2 2 344.528 3.319 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]CC3([NH3+])CCCCC3)c(Cl)nc21 ZINC000841039158 1321206627 /nfs/dbraw/zinc/20/66/27/1321206627.db2.gz CWJFUTSCNFADOH-UHFFFAOYSA-N 2 2 335.883 3.417 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000841058285 1321210863 /nfs/dbraw/zinc/21/08/63/1321210863.db2.gz VDGQBQBFHQIANS-LJQANCHMSA-N 2 2 346.906 3.373 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH2+][C@H](C[NH3+])C3CCCCC3)c2cc1C ZINC000842476715 1321394039 /nfs/dbraw/zinc/39/40/39/1321394039.db2.gz STCSPHQNOJCHGR-GOSISDBHSA-N 2 2 328.456 3.407 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000842831240 1321438419 /nfs/dbraw/zinc/43/84/19/1321438419.db2.gz RMRGFGIFLCCREV-GOSISDBHSA-N 2 2 341.455 3.209 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](COC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000842831240 1321438423 /nfs/dbraw/zinc/43/84/23/1321438423.db2.gz RMRGFGIFLCCREV-GOSISDBHSA-N 2 2 341.455 3.209 20 0 EGADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843048370 1321460994 /nfs/dbraw/zinc/46/09/94/1321460994.db2.gz NBJTXJYMGYVGCR-OAHLLOKOSA-N 2 2 332.879 3.232 20 0 EGADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843048370 1321460996 /nfs/dbraw/zinc/46/09/96/1321460996.db2.gz NBJTXJYMGYVGCR-OAHLLOKOSA-N 2 2 332.879 3.232 20 0 EGADLP Cc1cccn2cc(Cc3noc([C@H](C)[C@@H]([NH3+])c4ccccc4)n3)[nH+]c12 ZINC000843182456 1321483080 /nfs/dbraw/zinc/48/30/80/1321483080.db2.gz GGSUGNNTRQGBGA-RDTXWAMCSA-N 2 2 347.422 3.420 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)c2cc1Cl ZINC000843348078 1321503243 /nfs/dbraw/zinc/50/32/43/1321503243.db2.gz UPXQDBLPMWFHLT-GFCCVEGCSA-N 2 2 334.847 3.180 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C[NH3+])C3)c2cc1Cl ZINC000843348078 1321503245 /nfs/dbraw/zinc/50/32/45/1321503245.db2.gz UPXQDBLPMWFHLT-GFCCVEGCSA-N 2 2 334.847 3.180 20 0 EGADLP CC1CC[NH+](CC[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845922736 1321754373 /nfs/dbraw/zinc/75/43/73/1321754373.db2.gz GVFYGWITFBOPBT-UHFFFAOYSA-N 2 2 339.524 3.001 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)c1 ZINC000921580910 1322358029 /nfs/dbraw/zinc/35/80/29/1322358029.db2.gz XNCKMNAVGJAWMT-INIZCTEOSA-N 2 2 333.407 3.013 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000921802593 1322399949 /nfs/dbraw/zinc/39/99/49/1322399949.db2.gz TVRBUQXNWWUALN-HXUWFJFHSA-N 2 2 349.482 3.490 20 0 EGADLP O=C(CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)Nc1cccc2ccccc21 ZINC000923538664 1322771358 /nfs/dbraw/zinc/77/13/58/1322771358.db2.gz KPBDSISJPKFJIR-NRFANRHFSA-N 2 2 337.467 3.386 20 0 EGADLP O=C(CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)Nc1cccc2ccccc21 ZINC000923538664 1322771362 /nfs/dbraw/zinc/77/13/62/1322771362.db2.gz KPBDSISJPKFJIR-NRFANRHFSA-N 2 2 337.467 3.386 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000924619656 1323077734 /nfs/dbraw/zinc/07/77/34/1323077734.db2.gz GKMXJVUVXIOTRP-PMACEKPBSA-N 2 2 343.515 3.275 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000924619656 1323077745 /nfs/dbraw/zinc/07/77/45/1323077745.db2.gz GKMXJVUVXIOTRP-PMACEKPBSA-N 2 2 343.515 3.275 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000924667827 1323102782 /nfs/dbraw/zinc/10/27/82/1323102782.db2.gz PEXVJIVCLLSGSJ-ULMVMLMRSA-N 2 2 349.494 3.101 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000924667827 1323102787 /nfs/dbraw/zinc/10/27/87/1323102787.db2.gz PEXVJIVCLLSGSJ-ULMVMLMRSA-N 2 2 349.494 3.101 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc3c2OCO3)cn1 ZINC000924722229 1323133155 /nfs/dbraw/zinc/13/31/55/1323133155.db2.gz GQBMWFNGUWUQJQ-ZDUSSCGKSA-N 2 2 336.395 3.155 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852106597 1323149528 /nfs/dbraw/zinc/14/95/28/1323149528.db2.gz ACMOBMFHGUVXAX-FQEVSTJZSA-N 2 2 326.440 3.019 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000852106597 1323149538 /nfs/dbraw/zinc/14/95/38/1323149538.db2.gz ACMOBMFHGUVXAX-FQEVSTJZSA-N 2 2 326.440 3.019 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852106597 1323149543 /nfs/dbraw/zinc/14/95/43/1323149543.db2.gz ACMOBMFHGUVXAX-FQEVSTJZSA-N 2 2 326.440 3.019 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000852106597 1323149546 /nfs/dbraw/zinc/14/95/46/1323149546.db2.gz ACMOBMFHGUVXAX-FQEVSTJZSA-N 2 2 326.440 3.019 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924911567 1323210267 /nfs/dbraw/zinc/21/02/67/1323210267.db2.gz GOPWKASYBFDQFV-INIZCTEOSA-N 2 2 343.471 3.493 20 0 EGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280370 1329084347 /nfs/dbraw/zinc/08/43/47/1329084347.db2.gz MBJNKFXKYYIWMK-JWOSDPRPSA-N 2 2 349.478 3.492 20 0 EGADLP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280370 1329084350 /nfs/dbraw/zinc/08/43/50/1329084350.db2.gz MBJNKFXKYYIWMK-JWOSDPRPSA-N 2 2 349.478 3.492 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@@H+]3CC3CCC3)ccn12 ZINC001024440204 1323401779 /nfs/dbraw/zinc/40/17/79/1323401779.db2.gz LVPSEAXUWUTKMD-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@H+]3CC3CCC3)ccn12 ZINC001024440204 1323401785 /nfs/dbraw/zinc/40/17/85/1323401785.db2.gz LVPSEAXUWUTKMD-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3C[NH2+]CC3CCC3)ccn12 ZINC001024962935 1323803400 /nfs/dbraw/zinc/80/34/00/1323803400.db2.gz CAAMRZHNUHIJHL-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245862 1324044594 /nfs/dbraw/zinc/04/45/94/1324044594.db2.gz SFKSYWMKCFPSEU-RTBURBONSA-N 2 2 340.471 3.432 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245862 1324044599 /nfs/dbraw/zinc/04/45/99/1324044599.db2.gz SFKSYWMKCFPSEU-RTBURBONSA-N 2 2 340.471 3.432 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000860030594 1329130728 /nfs/dbraw/zinc/13/07/28/1329130728.db2.gz SEJQRTRRLGSMHL-CQSZACIVSA-N 2 2 335.319 3.147 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480995 1324329206 /nfs/dbraw/zinc/32/92/06/1324329206.db2.gz CSXDWLVYKAURDL-IAGOWNOFSA-N 2 2 340.471 3.131 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001025480995 1324329212 /nfs/dbraw/zinc/32/92/12/1324329212.db2.gz CSXDWLVYKAURDL-IAGOWNOFSA-N 2 2 340.471 3.131 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582012 1324421926 /nfs/dbraw/zinc/42/19/26/1324421926.db2.gz MSQNDTSEXLZLMD-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582012 1324421929 /nfs/dbraw/zinc/42/19/29/1324421929.db2.gz MSQNDTSEXLZLMD-SJLPKXTDSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001026568428 1324901556 /nfs/dbraw/zinc/90/15/56/1324901556.db2.gz GMWNOAXTKHHYLS-ZLPCBKJTSA-N 2 2 340.471 3.039 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001026613644 1324934669 /nfs/dbraw/zinc/93/46/69/1324934669.db2.gz YBWIOYULRHJRQO-UHFFFAOYSA-N 2 2 346.519 3.261 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368240 1325173737 /nfs/dbraw/zinc/17/37/37/1325173737.db2.gz VAPIJSCMAGOEJA-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368240 1325173745 /nfs/dbraw/zinc/17/37/45/1325173745.db2.gz VAPIJSCMAGOEJA-MJGOQNOKSA-N 2 2 346.519 3.091 20 0 EGADLP COCCSc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925495514 1325176999 /nfs/dbraw/zinc/17/69/99/1325176999.db2.gz YYGFHNFNYJXVTL-DGARUKMUSA-N 2 2 332.513 3.072 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853998831 1325199480 /nfs/dbraw/zinc/19/94/80/1325199480.db2.gz DGFZGNRYNDTGPW-HNNXBMFYSA-N 2 2 342.491 3.115 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853998831 1325199486 /nfs/dbraw/zinc/19/94/86/1325199486.db2.gz DGFZGNRYNDTGPW-HNNXBMFYSA-N 2 2 342.491 3.115 20 0 EGADLP c1ccc(COCc2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)cc2)cc1 ZINC000925545680 1325201355 /nfs/dbraw/zinc/20/13/55/1325201355.db2.gz JOEMASBHYXRSOP-JFDBCFPISA-N 2 2 348.490 3.489 20 0 EGADLP c1ccc(COCc2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)cc2)cc1 ZINC000925545678 1325201705 /nfs/dbraw/zinc/20/17/05/1325201705.db2.gz JOEMASBHYXRSOP-IACLWVNRSA-N 2 2 348.490 3.489 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC(C)C)C1 ZINC000963408546 1325210961 /nfs/dbraw/zinc/21/09/61/1325210961.db2.gz VCFLSSFGZYKWEN-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC(C)C)C1 ZINC000963408546 1325210970 /nfs/dbraw/zinc/21/09/70/1325210970.db2.gz VCFLSSFGZYKWEN-PKOBYXMFSA-N 2 2 346.519 3.010 20 0 EGADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925665256 1325254877 /nfs/dbraw/zinc/25/48/77/1325254877.db2.gz KNYREKSOCDJXMN-SFTDATJTSA-N 2 2 338.499 3.189 20 0 EGADLP O[C@H](c1ccccc1)[C@@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925668007 1325255968 /nfs/dbraw/zinc/25/59/68/1325255968.db2.gz DZRZXHSPJXTTKQ-ZFELAIKPSA-N 2 2 334.463 3.047 20 0 EGADLP O[C@@H](c1ccccc1)[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1 ZINC000925671664 1325257399 /nfs/dbraw/zinc/25/73/99/1325257399.db2.gz DZRZXHSPJXTTKQ-HGGGDRJSSA-N 2 2 334.463 3.047 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925797070 1325306800 /nfs/dbraw/zinc/30/68/00/1325306800.db2.gz NXNAIDYCQCHKOC-HIFRSBDPSA-N 2 2 337.533 3.384 20 0 EGADLP C[C@H](Cc1ccccn1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925905501 1325352501 /nfs/dbraw/zinc/35/25/01/1325352501.db2.gz FWMGKJTYTJLRQC-MRXNPFEDSA-N 2 2 339.487 3.050 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387981 1325588868 /nfs/dbraw/zinc/58/88/68/1325588868.db2.gz IFKJRGJHOQMIKO-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387981 1325588874 /nfs/dbraw/zinc/58/88/74/1325588874.db2.gz IFKJRGJHOQMIKO-GOSISDBHSA-N 2 2 344.503 3.156 20 0 EGADLP C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cccc(C[NH+](C)C)c1 ZINC000926585053 1327625589 /nfs/dbraw/zinc/62/55/89/1327625589.db2.gz HUJIEOFFVZFVDA-GFCCVEGCSA-N 2 2 338.377 3.408 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000926778790 1327712858 /nfs/dbraw/zinc/71/28/58/1327712858.db2.gz SCEJKQMDWNFKBF-ZOBUZTSGSA-N 2 2 329.444 3.102 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000926778790 1327712868 /nfs/dbraw/zinc/71/28/68/1327712868.db2.gz SCEJKQMDWNFKBF-ZOBUZTSGSA-N 2 2 329.444 3.102 20 0 EGADLP C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490548 1327749895 /nfs/dbraw/zinc/74/98/95/1327749895.db2.gz VUBSQXQNXMQRJG-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CC1CCCC1)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490548 1327749902 /nfs/dbraw/zinc/74/99/02/1327749902.db2.gz VUBSQXQNXMQRJG-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649353 1328029917 /nfs/dbraw/zinc/02/99/17/1328029917.db2.gz IWKKZOTTYQFLBK-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649353 1328029926 /nfs/dbraw/zinc/02/99/26/1328029926.db2.gz IWKKZOTTYQFLBK-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[N@H+](CCC(C)C)CC[C@@H]3C)ccn12 ZINC000966133631 1328201161 /nfs/dbraw/zinc/20/11/61/1328201161.db2.gz OKOZIBADLKXVPR-YJBOKZPZSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[N@@H+](CCC(C)C)CC[C@@H]3C)ccn12 ZINC000966133631 1328201166 /nfs/dbraw/zinc/20/11/66/1328201166.db2.gz OKOZIBADLKXVPR-YJBOKZPZSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027971156 1328443694 /nfs/dbraw/zinc/44/36/94/1328443694.db2.gz ZYXNTGDJFNLFAA-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027971156 1328443700 /nfs/dbraw/zinc/44/37/00/1328443700.db2.gz ZYXNTGDJFNLFAA-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccsc1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970666 1328443886 /nfs/dbraw/zinc/44/38/86/1328443886.db2.gz OJIYVQZJRAPDMQ-HNNXBMFYSA-N 2 2 340.452 3.019 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccsc1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970666 1328443889 /nfs/dbraw/zinc/44/38/89/1328443889.db2.gz OJIYVQZJRAPDMQ-HNNXBMFYSA-N 2 2 340.452 3.019 20 0 EGADLP c1coc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N2CCCC2)c1 ZINC000863983410 1329592506 /nfs/dbraw/zinc/59/25/06/1329592506.db2.gz GZLMDIBESKBERI-ZCTYVAAUSA-N 2 2 329.488 3.164 20 0 EGADLP c1coc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N2CCCC2)c1 ZINC000863983410 1329592507 /nfs/dbraw/zinc/59/25/07/1329592507.db2.gz GZLMDIBESKBERI-ZCTYVAAUSA-N 2 2 329.488 3.164 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000864049154 1329595000 /nfs/dbraw/zinc/59/50/00/1329595000.db2.gz BLWAOOMIKCZLFX-UHFFFAOYSA-N 3 2 333.545 3.234 20 0 EGADLP C[N@@H+]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CCC1(C)C ZINC000934087170 1329945790 /nfs/dbraw/zinc/94/57/90/1329945790.db2.gz CSPUGMNQTGEIDC-UHFFFAOYSA-N 2 2 345.491 3.020 20 0 EGADLP C[N@H+]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CCC1(C)C ZINC000934087170 1329945791 /nfs/dbraw/zinc/94/57/91/1329945791.db2.gz CSPUGMNQTGEIDC-UHFFFAOYSA-N 2 2 345.491 3.020 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935172508 1330033184 /nfs/dbraw/zinc/03/31/84/1330033184.db2.gz SUGVCUZLTNGGIC-HOTGVXAUSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935172508 1330033186 /nfs/dbraw/zinc/03/31/86/1330033186.db2.gz SUGVCUZLTNGGIC-HOTGVXAUSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866530058 1330122405 /nfs/dbraw/zinc/12/24/05/1330122405.db2.gz WFIFJVXGQDCROF-QWFCFKBJSA-N 2 2 343.515 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866530058 1330122406 /nfs/dbraw/zinc/12/24/06/1330122406.db2.gz WFIFJVXGQDCROF-QWFCFKBJSA-N 2 2 343.515 3.088 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866596150 1330131498 /nfs/dbraw/zinc/13/14/98/1330131498.db2.gz BOCYNXVGZULSCH-RCBQFDQVSA-N 2 2 341.293 3.209 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866596150 1330131499 /nfs/dbraw/zinc/13/14/99/1330131499.db2.gz BOCYNXVGZULSCH-RCBQFDQVSA-N 2 2 341.293 3.209 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702277 1330142491 /nfs/dbraw/zinc/14/24/91/1330142491.db2.gz ADBQGPHXGDKESN-QRWLVFNGSA-N 2 2 347.503 3.028 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702277 1330142492 /nfs/dbraw/zinc/14/24/92/1330142492.db2.gz ADBQGPHXGDKESN-QRWLVFNGSA-N 2 2 347.503 3.028 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)[C@H](C)C2)c[nH+]1 ZINC000947436427 1333127172 /nfs/dbraw/zinc/12/71/72/1333127172.db2.gz ITGHXADSMSWDFP-AEFFLSMTSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@H](C)C2)c[nH+]1 ZINC000947436427 1333127176 /nfs/dbraw/zinc/12/71/76/1333127176.db2.gz ITGHXADSMSWDFP-AEFFLSMTSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947980064 1333330260 /nfs/dbraw/zinc/33/02/60/1333330260.db2.gz NKMSEPDKBYPRGU-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)[C@@H](C)C1 ZINC000947980064 1333330262 /nfs/dbraw/zinc/33/02/62/1333330262.db2.gz NKMSEPDKBYPRGU-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCC1CCCCCC1 ZINC000948090752 1333372032 /nfs/dbraw/zinc/37/20/32/1333372032.db2.gz NTKPLURSNTYPHC-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCC1CCCCCC1 ZINC000948090752 1333372035 /nfs/dbraw/zinc/37/20/35/1333372035.db2.gz NTKPLURSNTYPHC-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CCC[N@@H+](CC(C)C)CC3)ccn12 ZINC000948374621 1333500339 /nfs/dbraw/zinc/50/03/39/1333500339.db2.gz XMYIBAOKLMRRGJ-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CCC[N@H+](CC(C)C)CC3)ccn12 ZINC000948374621 1333500342 /nfs/dbraw/zinc/50/03/42/1333500342.db2.gz XMYIBAOKLMRRGJ-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000948554645 1333573058 /nfs/dbraw/zinc/57/30/58/1333573058.db2.gz YGRBRUMOJBRYBU-NKPGBKMFSA-N 2 2 346.862 3.242 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948554645 1333573059 /nfs/dbraw/zinc/57/30/59/1333573059.db2.gz YGRBRUMOJBRYBU-NKPGBKMFSA-N 2 2 346.862 3.242 20 0 EGADLP C[NH+](C)Cc1ccoc1C(=O)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000949901107 1333959280 /nfs/dbraw/zinc/95/92/80/1333959280.db2.gz WXMNOSTWMQUWEU-UHFFFAOYSA-N 2 2 347.503 3.069 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCC(C)(C)C)C1 ZINC000950627854 1334098710 /nfs/dbraw/zinc/09/87/10/1334098710.db2.gz LRQRUTNIEYIZGD-UHFFFAOYSA-N 2 2 328.460 3.145 20 0 EGADLP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965341 1336104202 /nfs/dbraw/zinc/10/42/02/1336104202.db2.gz MLNCBRVWNPSYOO-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000968965341 1336104203 /nfs/dbraw/zinc/10/42/03/1336104203.db2.gz MLNCBRVWNPSYOO-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205314784 1370719204 /nfs/dbraw/zinc/71/92/04/1370719204.db2.gz CHEGBURTPGAEIC-FZMZJTMJSA-N 2 2 341.293 3.183 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205314784 1370719210 /nfs/dbraw/zinc/71/92/10/1370719210.db2.gz CHEGBURTPGAEIC-FZMZJTMJSA-N 2 2 341.293 3.183 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001205332872 1370724633 /nfs/dbraw/zinc/72/46/33/1370724633.db2.gz VOJCNYKZMUHDCX-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000970150579 1336284798 /nfs/dbraw/zinc/28/47/98/1336284798.db2.gz MBPWSGDLFOANAV-CVEARBPZSA-N 2 2 348.450 3.146 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088539 1336767106 /nfs/dbraw/zinc/76/71/06/1336767106.db2.gz MEPGXDVWRLRDEN-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088539 1336767107 /nfs/dbraw/zinc/76/71/07/1336767107.db2.gz MEPGXDVWRLRDEN-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Br ZINC001206639017 1371115337 /nfs/dbraw/zinc/11/53/37/1371115337.db2.gz ANNLISUWWQHWRG-AWEZNQCLSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)ccc1Br ZINC001206639017 1371115339 /nfs/dbraw/zinc/11/53/39/1371115339.db2.gz ANNLISUWWQHWRG-AWEZNQCLSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206640651 1371115783 /nfs/dbraw/zinc/11/57/83/1371115783.db2.gz KFVJVMKFVUVQOZ-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1Br ZINC001206640651 1371115784 /nfs/dbraw/zinc/11/57/84/1371115784.db2.gz KFVJVMKFVUVQOZ-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC001014903334 1337944823 /nfs/dbraw/zinc/94/48/23/1337944823.db2.gz ZNPSHTTWDMKMEV-SFHVURJKSA-N 2 2 344.503 3.008 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)c[nH+]1 ZINC001014903334 1337944828 /nfs/dbraw/zinc/94/48/28/1337944828.db2.gz ZNPSHTTWDMKMEV-SFHVURJKSA-N 2 2 344.503 3.008 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632739 1340735966 /nfs/dbraw/zinc/73/59/66/1340735966.db2.gz QYBMVHTXKOJEMX-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632739 1340735969 /nfs/dbraw/zinc/73/59/69/1340735969.db2.gz QYBMVHTXKOJEMX-INIZCTEOSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001029111829 1340932689 /nfs/dbraw/zinc/93/26/89/1340932689.db2.gz PCJFZRGQNYFAJT-AWEZNQCLSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857197 1341097078 /nfs/dbraw/zinc/09/70/78/1341097078.db2.gz WHWYKBYSVWPCBM-IAGOWNOFSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857197 1341097079 /nfs/dbraw/zinc/09/70/79/1341097079.db2.gz WHWYKBYSVWPCBM-IAGOWNOFSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025465 1341160479 /nfs/dbraw/zinc/16/04/79/1341160479.db2.gz UYQSOHNIHRQAAB-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030025465 1341160480 /nfs/dbraw/zinc/16/04/80/1341160480.db2.gz UYQSOHNIHRQAAB-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030025465 1341160481 /nfs/dbraw/zinc/16/04/81/1341160481.db2.gz UYQSOHNIHRQAAB-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030025465 1341160482 /nfs/dbraw/zinc/16/04/82/1341160482.db2.gz UYQSOHNIHRQAAB-BMGDILEWSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032196 1341162333 /nfs/dbraw/zinc/16/23/33/1341162333.db2.gz COTLDLOAKVWXLD-RVKKMQEKSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032196 1341162334 /nfs/dbraw/zinc/16/23/34/1341162334.db2.gz COTLDLOAKVWXLD-RVKKMQEKSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032196 1341162335 /nfs/dbraw/zinc/16/23/35/1341162335.db2.gz COTLDLOAKVWXLD-RVKKMQEKSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032196 1341162336 /nfs/dbraw/zinc/16/23/36/1341162336.db2.gz COTLDLOAKVWXLD-RVKKMQEKSA-N 2 2 349.906 3.076 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030593753 1341199676 /nfs/dbraw/zinc/19/96/76/1341199676.db2.gz BSMHKCLUOXSSFQ-UXHICEINSA-N 2 2 343.515 3.059 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030593753 1341199677 /nfs/dbraw/zinc/19/96/77/1341199677.db2.gz BSMHKCLUOXSSFQ-UXHICEINSA-N 2 2 343.515 3.059 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001032477827 1341519988 /nfs/dbraw/zinc/51/99/88/1341519988.db2.gz TUUZOUIPJXNVRX-IRXDYDNUSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001032477827 1341519990 /nfs/dbraw/zinc/51/99/90/1341519990.db2.gz TUUZOUIPJXNVRX-IRXDYDNUSA-N 2 2 338.455 3.042 20 0 EGADLP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004214 1342141953 /nfs/dbraw/zinc/14/19/53/1342141953.db2.gz KKOJPXDYDMQZJA-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034004214 1342141961 /nfs/dbraw/zinc/14/19/61/1342141961.db2.gz KKOJPXDYDMQZJA-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001035064894 1342906632 /nfs/dbraw/zinc/90/66/32/1342906632.db2.gz XSPYWNWMFJTFSY-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001036273820 1343391241 /nfs/dbraw/zinc/39/12/41/1343391241.db2.gz HOMQCAGVQANWDR-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869308 1343806584 /nfs/dbraw/zinc/80/65/84/1343806584.db2.gz AUSKEOSABZTPDH-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001036869308 1343806586 /nfs/dbraw/zinc/80/65/86/1343806586.db2.gz AUSKEOSABZTPDH-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037944694 1344195001 /nfs/dbraw/zinc/19/50/01/1344195001.db2.gz WNBFMRJHHIQMDT-MSOLQXFVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416769 1344419499 /nfs/dbraw/zinc/41/94/99/1344419499.db2.gz PEHLHIOCHNEAAL-YOEHRIQHSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038416769 1344419504 /nfs/dbraw/zinc/41/95/04/1344419504.db2.gz PEHLHIOCHNEAAL-YOEHRIQHSA-N 2 2 334.423 3.128 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253275 1344984839 /nfs/dbraw/zinc/98/48/39/1344984839.db2.gz CAWNQLXIIXQMRQ-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253275 1344984842 /nfs/dbraw/zinc/98/48/42/1344984842.db2.gz CAWNQLXIIXQMRQ-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039941825 1345254511 /nfs/dbraw/zinc/25/45/11/1345254511.db2.gz JMXBBUAGCUDYIU-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039941825 1345254516 /nfs/dbraw/zinc/25/45/16/1345254516.db2.gz JMXBBUAGCUDYIU-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039941825 1345254519 /nfs/dbraw/zinc/25/45/19/1345254519.db2.gz JMXBBUAGCUDYIU-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039941825 1345254523 /nfs/dbraw/zinc/25/45/23/1345254523.db2.gz JMXBBUAGCUDYIU-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717144 1345829642 /nfs/dbraw/zinc/82/96/42/1345829642.db2.gz KZJAQUMGNQIRTA-YLJYHZDGSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717144 1345829644 /nfs/dbraw/zinc/82/96/44/1345829644.db2.gz KZJAQUMGNQIRTA-YLJYHZDGSA-N 2 2 346.519 3.195 20 0 EGADLP CN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001042831856 1346120190 /nfs/dbraw/zinc/12/01/90/1346120190.db2.gz ZIWWECGGJHTJJC-UHFFFAOYSA-N 2 2 349.544 3.146 20 0 EGADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC001044802766 1346431302 /nfs/dbraw/zinc/43/13/02/1346431302.db2.gz YUVHXPQKBSWPDN-FUHWJXTLSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878673 1346453078 /nfs/dbraw/zinc/45/30/78/1346453078.db2.gz MSEJQLWDAARLPU-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](CC2CCCCC2)CC1 ZINC001045467158 1346600892 /nfs/dbraw/zinc/60/08/92/1346600892.db2.gz HCYCOXPKANKYQT-IAGOWNOFSA-N 2 2 344.503 3.064 20 0 EGADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](CC2CCCCC2)CC1 ZINC001045467158 1346600897 /nfs/dbraw/zinc/60/08/97/1346600897.db2.gz HCYCOXPKANKYQT-IAGOWNOFSA-N 2 2 344.503 3.064 20 0 EGADLP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045946943 1346782212 /nfs/dbraw/zinc/78/22/12/1346782212.db2.gz FUOGGCPTFUUGTB-HXUWFJFHSA-N 2 2 340.471 3.291 20 0 EGADLP CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001045946943 1346782216 /nfs/dbraw/zinc/78/22/16/1346782216.db2.gz FUOGGCPTFUUGTB-HXUWFJFHSA-N 2 2 340.471 3.291 20 0 EGADLP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953375 1346788876 /nfs/dbraw/zinc/78/88/76/1346788876.db2.gz YABAAUCKJZTQEU-FQEVSTJZSA-N 2 2 340.471 3.063 20 0 EGADLP CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001045953375 1346788879 /nfs/dbraw/zinc/78/88/79/1346788879.db2.gz YABAAUCKJZTQEU-FQEVSTJZSA-N 2 2 340.471 3.063 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981277 1346819655 /nfs/dbraw/zinc/81/96/55/1346819655.db2.gz FBRMICIKVYLHCF-UZLBHIALSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001045981277 1346819660 /nfs/dbraw/zinc/81/96/60/1346819660.db2.gz FBRMICIKVYLHCF-UZLBHIALSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CC2CCCCCC2)C1 ZINC001046386541 1346958616 /nfs/dbraw/zinc/95/86/16/1346958616.db2.gz DYYXDOZPIZBZJP-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046386541 1346958618 /nfs/dbraw/zinc/95/86/18/1346958618.db2.gz DYYXDOZPIZBZJP-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](CC2CCCCCC2)C1 ZINC001046386541 1346958619 /nfs/dbraw/zinc/95/86/19/1346958619.db2.gz DYYXDOZPIZBZJP-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001046386541 1346958621 /nfs/dbraw/zinc/95/86/21/1346958621.db2.gz DYYXDOZPIZBZJP-MBOZVWFJSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CC2CCCCC2)C1 ZINC001046413813 1346966820 /nfs/dbraw/zinc/96/68/20/1346966820.db2.gz BUTDZJCBNRLNNY-FQEVSTJZSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CC2CCCCC2)C1 ZINC001046413813 1346966823 /nfs/dbraw/zinc/96/68/23/1346966823.db2.gz BUTDZJCBNRLNNY-FQEVSTJZSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](Cc2ccsc2)C1 ZINC001046414782 1346966998 /nfs/dbraw/zinc/96/69/98/1346966998.db2.gz JFWZZLMPDYTOFW-SFHVURJKSA-N 2 2 340.452 3.019 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](Cc2ccsc2)C1 ZINC001046414782 1346967002 /nfs/dbraw/zinc/96/70/02/1346967002.db2.gz JFWZZLMPDYTOFW-SFHVURJKSA-N 2 2 340.452 3.019 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837582 1348695792 /nfs/dbraw/zinc/69/57/92/1348695792.db2.gz ZENXZTUDCRBFJA-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052837582 1348695794 /nfs/dbraw/zinc/69/57/94/1348695794.db2.gz ZENXZTUDCRBFJA-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970816 1348780711 /nfs/dbraw/zinc/78/07/11/1348780711.db2.gz YOYFIPLJPBXFLA-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970816 1348780713 /nfs/dbraw/zinc/78/07/13/1348780713.db2.gz YOYFIPLJPBXFLA-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071512001 1354735602 /nfs/dbraw/zinc/73/56/02/1354735602.db2.gz SPOUXBNIBOBPMS-QAPCUYQASA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1C ZINC001071512001 1354735606 /nfs/dbraw/zinc/73/56/06/1354735606.db2.gz SPOUXBNIBOBPMS-QAPCUYQASA-N 2 2 340.471 3.192 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](C)[N@@H+](CC4CCC4)C3)ccn12 ZINC001071511732 1354735997 /nfs/dbraw/zinc/73/59/97/1354735997.db2.gz PBKSCFLHJBWTPR-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](C)[N@H+](CC4CCC4)C3)ccn12 ZINC001071511732 1354736000 /nfs/dbraw/zinc/73/60/00/1354736000.db2.gz PBKSCFLHJBWTPR-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP COc1cc(CC[NH2+][C@@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC001183238794 1387283264 /nfs/dbraw/zinc/28/32/64/1387283264.db2.gz PBIASKQZRRKIFJ-YLJYHZDGSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cc(CC[NH2+][C@@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001183238794 1387283266 /nfs/dbraw/zinc/28/32/66/1387283266.db2.gz PBIASKQZRRKIFJ-YLJYHZDGSA-N 2 2 339.483 3.275 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C)c1ccccc1 ZINC001074629476 1356218454 /nfs/dbraw/zinc/21/84/54/1356218454.db2.gz ZTSIUURNZHMSJD-SZMVWBNQSA-N 2 2 340.471 3.073 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001075460542 1356394519 /nfs/dbraw/zinc/39/45/19/1356394519.db2.gz VUEMPKPUTRILOX-ZWKOTPCHSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001075460542 1356394523 /nfs/dbraw/zinc/39/45/23/1356394523.db2.gz VUEMPKPUTRILOX-ZWKOTPCHSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107143 1363626481 /nfs/dbraw/zinc/62/64/81/1363626481.db2.gz VWRDFHOQPAYVAC-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107143 1363626484 /nfs/dbraw/zinc/62/64/84/1363626484.db2.gz VWRDFHOQPAYVAC-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107143 1363626486 /nfs/dbraw/zinc/62/64/86/1363626486.db2.gz VWRDFHOQPAYVAC-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107143 1363626492 /nfs/dbraw/zinc/62/64/92/1363626492.db2.gz VWRDFHOQPAYVAC-KRWDZBQOSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245860 1387316551 /nfs/dbraw/zinc/31/65/51/1387316551.db2.gz HSYPRZJFRHVKLO-GJZGRUSLSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245860 1387316553 /nfs/dbraw/zinc/31/65/53/1387316553.db2.gz HSYPRZJFRHVKLO-GJZGRUSLSA-N 2 2 349.906 3.076 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672749 1358677624 /nfs/dbraw/zinc/67/76/24/1358677624.db2.gz GFVUVMCFTFUJAI-OAHLLOKOSA-N 2 2 328.460 3.145 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672749 1358677628 /nfs/dbraw/zinc/67/76/28/1358677628.db2.gz GFVUVMCFTFUJAI-OAHLLOKOSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001086919969 1359247445 /nfs/dbraw/zinc/24/74/45/1359247445.db2.gz CRMUSIJQEUJLMI-QGZVFWFLSA-N 2 2 344.503 3.012 20 0 EGADLP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001086932334 1359256081 /nfs/dbraw/zinc/25/60/81/1359256081.db2.gz HXHFPXIMWOIFAQ-INIZCTEOSA-N 2 2 340.471 3.061 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CC1CCCCCC1 ZINC001087810223 1359659228 /nfs/dbraw/zinc/65/92/28/1359659228.db2.gz JDIHUHMJRKJRTI-PKOBYXMFSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CC1CCCCCC1 ZINC001087810223 1359659230 /nfs/dbraw/zinc/65/92/30/1359659230.db2.gz JDIHUHMJRKJRTI-PKOBYXMFSA-N 2 2 346.519 3.200 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663531 1360006182 /nfs/dbraw/zinc/00/61/82/1360006182.db2.gz HMOGSQOXPJKAQW-CJNGLKHVSA-N 2 2 328.460 3.192 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001088663531 1360006184 /nfs/dbraw/zinc/00/61/84/1360006184.db2.gz HMOGSQOXPJKAQW-CJNGLKHVSA-N 2 2 328.460 3.192 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416047 1360410188 /nfs/dbraw/zinc/41/01/88/1360410188.db2.gz GBAPDCUGCXGDSF-KRWDZBQOSA-N 2 2 347.503 3.040 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC(C)(C)C1 ZINC001089416047 1360410189 /nfs/dbraw/zinc/41/01/89/1360410189.db2.gz GBAPDCUGCXGDSF-KRWDZBQOSA-N 2 2 347.503 3.040 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693457 1360599116 /nfs/dbraw/zinc/59/91/16/1360599116.db2.gz KVABXECBIVMCSD-CVEARBPZSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001089693457 1360599119 /nfs/dbraw/zinc/59/91/19/1360599119.db2.gz KVABXECBIVMCSD-CVEARBPZSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@H]([NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001091141959 1360997939 /nfs/dbraw/zinc/99/79/39/1360997939.db2.gz VAOILJDQEFVXOW-HJOIGYKYSA-N 2 2 348.450 3.194 20 0 EGADLP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184650952 1387503087 /nfs/dbraw/zinc/50/30/87/1387503087.db2.gz BGYIQDFAJQGBRU-JKSUJKDBSA-N 2 2 342.487 3.441 20 0 EGADLP CC(C)[NH2+][C@H](C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098819632 1363480966 /nfs/dbraw/zinc/48/09/66/1363480966.db2.gz BUYCYGUOAVFRCO-SJLPKXTDSA-N 2 2 346.519 3.138 20 0 EGADLP CCC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098822392 1363482881 /nfs/dbraw/zinc/48/28/81/1363482881.db2.gz YSIJLGOFMAFKGT-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049230 1363594857 /nfs/dbraw/zinc/59/48/57/1363594857.db2.gz PJFSMLBYNFAPAM-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049230 1363594858 /nfs/dbraw/zinc/59/48/58/1363594858.db2.gz PJFSMLBYNFAPAM-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049839 1363595589 /nfs/dbraw/zinc/59/55/89/1363595589.db2.gz XUXYQZQBNYASQQ-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049839 1363595590 /nfs/dbraw/zinc/59/55/90/1363595590.db2.gz XUXYQZQBNYASQQ-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049838 1363595670 /nfs/dbraw/zinc/59/56/70/1363595670.db2.gz XUXYQZQBNYASQQ-INIZCTEOSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001099049838 1363595674 /nfs/dbraw/zinc/59/56/74/1363595674.db2.gz XUXYQZQBNYASQQ-INIZCTEOSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCCC[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500443 1364137400 /nfs/dbraw/zinc/13/74/00/1364137400.db2.gz MNLNAPYJVSVFSN-UHFFFAOYSA-N 2 2 328.460 3.013 20 0 EGADLP CCCCC[NH2+]C1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001100541674 1364152951 /nfs/dbraw/zinc/15/29/51/1364152951.db2.gz UWRFHDCHNFDCRZ-UHFFFAOYSA-N 2 2 340.471 3.161 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088122 1364848209 /nfs/dbraw/zinc/84/82/09/1364848209.db2.gz NEPQJHIRKYHIRB-NVXWUHKLSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088122 1364848212 /nfs/dbraw/zinc/84/82/12/1364848212.db2.gz NEPQJHIRKYHIRB-NVXWUHKLSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224381 1365443845 /nfs/dbraw/zinc/44/38/45/1365443845.db2.gz ZBLQOLHZTOBKGV-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001103224381 1365443847 /nfs/dbraw/zinc/44/38/47/1365443847.db2.gz ZBLQOLHZTOBKGV-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CC[C@@H](F)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253860 1365458691 /nfs/dbraw/zinc/45/86/91/1365458691.db2.gz QRYPODVSGQBMDJ-ZTFGCOKTSA-N 2 2 349.494 3.443 20 0 EGADLP CC[C@@H](F)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253860 1365458693 /nfs/dbraw/zinc/45/86/93/1365458693.db2.gz QRYPODVSGQBMDJ-ZTFGCOKTSA-N 2 2 349.494 3.443 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517472 1365608562 /nfs/dbraw/zinc/60/85/62/1365608562.db2.gz ONMACAXKCWVAMN-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517472 1365608565 /nfs/dbraw/zinc/60/85/65/1365608565.db2.gz ONMACAXKCWVAMN-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517472 1365608568 /nfs/dbraw/zinc/60/85/68/1365608568.db2.gz ONMACAXKCWVAMN-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517472 1365608571 /nfs/dbraw/zinc/60/85/71/1365608571.db2.gz ONMACAXKCWVAMN-BRWVUGGUSA-N 2 2 348.535 3.099 20 0 EGADLP CCCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345909 1365982456 /nfs/dbraw/zinc/98/24/56/1365982456.db2.gz ZURKYEPHXGADIR-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542087 1366520747 /nfs/dbraw/zinc/52/07/47/1366520747.db2.gz OTWTXYVAEYKDNU-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542087 1366520748 /nfs/dbraw/zinc/52/07/48/1366520748.db2.gz OTWTXYVAEYKDNU-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566931 1366535263 /nfs/dbraw/zinc/53/52/63/1366535263.db2.gz ZNJLSFFUBVIDBY-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP CC[C@H](C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105582218 1366543502 /nfs/dbraw/zinc/54/35/02/1366543502.db2.gz QLPNZFHVNCPTPT-ZWKOTPCHSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([N@H+](C)CCC(C)(C)C)C3)ccn12 ZINC001190178462 1367192919 /nfs/dbraw/zinc/19/29/19/1367192919.db2.gz WKCIXUOWERLFLC-QGZVFWFLSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([N@@H+](C)CCC(C)(C)C)C3)ccn12 ZINC001190178462 1367192924 /nfs/dbraw/zinc/19/29/24/1367192924.db2.gz WKCIXUOWERLFLC-QGZVFWFLSA-N 2 2 342.487 3.225 20 0 EGADLP CC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799653 1367603048 /nfs/dbraw/zinc/60/30/48/1367603048.db2.gz QPFODRMCTIDIPM-JYJNAYRXSA-N 2 2 346.519 3.093 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110644498 1367888137 /nfs/dbraw/zinc/88/81/37/1367888137.db2.gz OFFCQUYZSRRMRE-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110644498 1367888141 /nfs/dbraw/zinc/88/81/41/1367888141.db2.gz OFFCQUYZSRRMRE-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001110644498 1367888145 /nfs/dbraw/zinc/88/81/45/1367888145.db2.gz OFFCQUYZSRRMRE-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001110644498 1367888148 /nfs/dbraw/zinc/88/81/48/1367888148.db2.gz OFFCQUYZSRRMRE-QRVBRYPASA-N 2 2 344.503 3.034 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112019893 1368622314 /nfs/dbraw/zinc/62/23/14/1368622314.db2.gz ZBWDQNSZJSXMKX-ICSRJNTNSA-N 2 2 346.519 3.214 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112019893 1368622317 /nfs/dbraw/zinc/62/23/17/1368622317.db2.gz ZBWDQNSZJSXMKX-ICSRJNTNSA-N 2 2 346.519 3.214 20 0 EGADLP CCCC[N@H+](CC(=O)Nc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545059 1368636203 /nfs/dbraw/zinc/63/62/03/1368636203.db2.gz KCTVNJXWTBWPCX-UHFFFAOYSA-N 2 2 346.519 3.431 20 0 EGADLP CCCC[N@@H+](CC(=O)Nc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545059 1368636206 /nfs/dbraw/zinc/63/62/06/1368636206.db2.gz KCTVNJXWTBWPCX-UHFFFAOYSA-N 2 2 346.519 3.431 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197284121 1368779210 /nfs/dbraw/zinc/77/92/10/1368779210.db2.gz WHAQCPMWQLQJCM-ROUUACIJSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197284121 1368779212 /nfs/dbraw/zinc/77/92/12/1368779212.db2.gz WHAQCPMWQLQJCM-ROUUACIJSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197284119 1368779300 /nfs/dbraw/zinc/77/93/00/1368779300.db2.gz WHAQCPMWQLQJCM-MSOLQXFVSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001197284119 1368779303 /nfs/dbraw/zinc/77/93/03/1368779303.db2.gz WHAQCPMWQLQJCM-MSOLQXFVSA-N 2 2 334.508 3.051 20 0 EGADLP C[C@@H](CC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001197284336 1368780585 /nfs/dbraw/zinc/78/05/85/1368780585.db2.gz YKKIEIXKUZJOCZ-KRWDZBQOSA-N 2 2 334.508 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001197284336 1368780588 /nfs/dbraw/zinc/78/05/88/1368780588.db2.gz YKKIEIXKUZJOCZ-KRWDZBQOSA-N 2 2 334.508 3.195 20 0 EGADLP COc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1Cl ZINC001197928998 1368926348 /nfs/dbraw/zinc/92/63/48/1368926348.db2.gz BTYHLBNRACRJJL-AWEZNQCLSA-N 2 2 331.847 3.454 20 0 EGADLP COc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1Cl ZINC001197928998 1368926351 /nfs/dbraw/zinc/92/63/51/1368926351.db2.gz BTYHLBNRACRJJL-AWEZNQCLSA-N 2 2 331.847 3.454 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001112865114 1369056123 /nfs/dbraw/zinc/05/61/23/1369056123.db2.gz UJIDYNHEMODQJM-DVBCCOPCSA-N 2 2 346.519 3.287 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1)[NH+](CC)CC ZINC001113341283 1369359537 /nfs/dbraw/zinc/35/95/37/1369359537.db2.gz QQEXBMIUYOPGPT-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113397974 1369398068 /nfs/dbraw/zinc/39/80/68/1369398068.db2.gz VNEQETWMRIPOGT-UHFFFAOYSA-N 2 2 334.508 3.121 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001203069000 1369971843 /nfs/dbraw/zinc/97/18/43/1369971843.db2.gz JRILUBQUJRKADC-DLBZAZTESA-N 2 2 346.519 3.134 20 0 EGADLP CC(C)CC[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001203171563 1370008841 /nfs/dbraw/zinc/00/88/41/1370008841.db2.gz KVNDTLZDTZOIQC-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP CCc1[nH]c(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c(C)[nH+]1 ZINC001203247500 1370039606 /nfs/dbraw/zinc/03/96/06/1370039606.db2.gz GZWBTGQTVMTNIU-FQEVSTJZSA-N 2 2 338.499 3.476 20 0 EGADLP c1c[nH+]c(N2CCOCC2)c(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001203773822 1370259530 /nfs/dbraw/zinc/25/95/30/1370259530.db2.gz SGRNGVVXDOIZIH-UHFFFAOYSA-N 2 2 338.455 3.258 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001203822471 1370278014 /nfs/dbraw/zinc/27/80/14/1370278014.db2.gz RGYHLOJKHLNEJJ-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1cccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001203822471 1370278017 /nfs/dbraw/zinc/27/80/17/1370278017.db2.gz RGYHLOJKHLNEJJ-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1cccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001203822471 1370278019 /nfs/dbraw/zinc/27/80/19/1370278019.db2.gz RGYHLOJKHLNEJJ-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1cccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001203822471 1370278022 /nfs/dbraw/zinc/27/80/22/1370278022.db2.gz RGYHLOJKHLNEJJ-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001204069385 1370366212 /nfs/dbraw/zinc/36/62/12/1370366212.db2.gz NPEQEWBGIRTHDK-UHFFFAOYSA-N 2 2 344.503 3.134 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1OC ZINC001204194182 1370403808 /nfs/dbraw/zinc/40/38/08/1370403808.db2.gz XTDRUUFZEIPRBT-KRWDZBQOSA-N 2 2 342.439 3.451 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1OC ZINC001204194182 1370403810 /nfs/dbraw/zinc/40/38/10/1370403810.db2.gz XTDRUUFZEIPRBT-KRWDZBQOSA-N 2 2 342.439 3.451 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115510362 1370509395 /nfs/dbraw/zinc/50/93/95/1370509395.db2.gz RZIKQBMLNVZPJZ-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP COc1ccc(-c2ccc(C[NH+](C)C)cc2)cc1C[NH+]1CCOCC1 ZINC001204660730 1370538697 /nfs/dbraw/zinc/53/86/97/1370538697.db2.gz KQYQTRNQLOQWAD-UHFFFAOYSA-N 2 2 340.467 3.256 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115566898 1370567427 /nfs/dbraw/zinc/56/74/27/1370567427.db2.gz DJTYOOHOCCZBIE-PLNGDYQASA-N 2 2 346.519 3.497 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115566898 1370567432 /nfs/dbraw/zinc/56/74/32/1370567432.db2.gz DJTYOOHOCCZBIE-PLNGDYQASA-N 2 2 346.519 3.497 20 0 EGADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001205110698 1370654145 /nfs/dbraw/zinc/65/41/45/1370654145.db2.gz YKONMBNBAULKJU-GFCCVEGCSA-N 2 2 325.790 3.480 20 0 EGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001205110698 1370654149 /nfs/dbraw/zinc/65/41/49/1370654149.db2.gz YKONMBNBAULKJU-GFCCVEGCSA-N 2 2 325.790 3.480 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288041 1370707320 /nfs/dbraw/zinc/70/73/20/1370707320.db2.gz FWOKFZUHLKDZPJ-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205288041 1370707322 /nfs/dbraw/zinc/70/73/22/1370707322.db2.gz FWOKFZUHLKDZPJ-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1Br ZINC001205289245 1370707896 /nfs/dbraw/zinc/70/78/96/1370707896.db2.gz VGDBHFAENPSURE-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1Br ZINC001205289245 1370707899 /nfs/dbraw/zinc/70/78/99/1370707899.db2.gz VGDBHFAENPSURE-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205317196 1370718574 /nfs/dbraw/zinc/71/85/74/1370718574.db2.gz NIUQTJZZOYFODJ-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205317196 1370718578 /nfs/dbraw/zinc/71/85/78/1370718578.db2.gz NIUQTJZZOYFODJ-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)cc1F ZINC001205318126 1370720020 /nfs/dbraw/zinc/72/00/20/1370720020.db2.gz RWCGACYLIIBYCP-ZWNOBZJWSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(Br)cc1F ZINC001205318126 1370720023 /nfs/dbraw/zinc/72/00/23/1370720023.db2.gz RWCGACYLIIBYCP-ZWNOBZJWSA-N 2 2 329.257 3.313 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001205332872 1370724629 /nfs/dbraw/zinc/72/46/29/1370724629.db2.gz VOJCNYKZMUHDCX-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001205411948 1370747459 /nfs/dbraw/zinc/74/74/59/1370747459.db2.gz STTUULMLBKFQSV-UXHICEINSA-N 2 2 348.531 3.318 20 0 EGADLP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001205411948 1370747463 /nfs/dbraw/zinc/74/74/63/1370747463.db2.gz STTUULMLBKFQSV-UXHICEINSA-N 2 2 348.531 3.318 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115765981 1370750981 /nfs/dbraw/zinc/75/09/81/1370750981.db2.gz OJIVUKDRSIOTOY-INIZCTEOSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCC(C)(C)C)CCCCC1 ZINC001115765981 1370750986 /nfs/dbraw/zinc/75/09/86/1370750986.db2.gz OJIVUKDRSIOTOY-INIZCTEOSA-N 2 2 348.535 3.433 20 0 EGADLP CCCC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500275 1370773592 /nfs/dbraw/zinc/77/35/92/1370773592.db2.gz OWPLXZBJEYRVPL-SFHVURJKSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)CC[NH2+]CC1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500442 1370773658 /nfs/dbraw/zinc/77/36/58/1370773658.db2.gz WGZAXIJUNUTXGE-IBGZPJMESA-N 2 2 348.535 3.345 20 0 EGADLP CCC(CC)(CNC(=O)[C@H](C)n1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC001116036615 1370824850 /nfs/dbraw/zinc/82/48/50/1370824850.db2.gz LKFLCHCBFINPBW-IRXDYDNUSA-N 2 2 342.487 3.470 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2cccnc21 ZINC001116065609 1370830260 /nfs/dbraw/zinc/83/02/60/1370830260.db2.gz VFXIVDDUKTXPSI-UHFFFAOYSA-N 2 2 329.363 3.376 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC001116066315 1370830782 /nfs/dbraw/zinc/83/07/82/1370830782.db2.gz CDGZZWBFOWSNLJ-SUMWQHHRSA-N 2 2 328.416 3.110 20 0 EGADLP CCC(CC)C[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679489 1370840845 /nfs/dbraw/zinc/84/08/45/1370840845.db2.gz JECQEJPLPSNFRX-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205916625 1370910384 /nfs/dbraw/zinc/91/03/84/1370910384.db2.gz UYGLPIASRSOGQK-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)ccc1Br ZINC001205916625 1370910388 /nfs/dbraw/zinc/91/03/88/1370910388.db2.gz UYGLPIASRSOGQK-GXTWGEPZSA-N 2 2 341.293 3.407 20 0 EGADLP COC(C[N@H+](CCC[NH2+]C1CCCCC1)Cc1ccccc1)OC ZINC001205925148 1370913355 /nfs/dbraw/zinc/91/33/55/1370913355.db2.gz VWDVAEUTTLNTQU-UHFFFAOYSA-N 2 2 334.504 3.420 20 0 EGADLP COC(C[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccccc1)OC ZINC001205925148 1370913362 /nfs/dbraw/zinc/91/33/62/1370913362.db2.gz VWDVAEUTTLNTQU-UHFFFAOYSA-N 2 2 334.504 3.420 20 0 EGADLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001205939848 1370919255 /nfs/dbraw/zinc/91/92/55/1370919255.db2.gz UONBTHLNIQWNQE-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C1 ZINC001205939848 1370919257 /nfs/dbraw/zinc/91/92/57/1370919257.db2.gz UONBTHLNIQWNQE-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001116526239 1370929750 /nfs/dbraw/zinc/92/97/50/1370929750.db2.gz VHKXKUSYLHVIIG-CRAIPNDOSA-N 2 2 342.443 3.356 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1[NH3+] ZINC001206043728 1370947057 /nfs/dbraw/zinc/94/70/57/1370947057.db2.gz UWILHJLWEQVOON-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cc(Br)cnc3c2)C[C@H]1[NH3+] ZINC001206043728 1370947059 /nfs/dbraw/zinc/94/70/59/1370947059.db2.gz UWILHJLWEQVOON-IAQYHMDHSA-N 2 2 334.261 3.166 20 0 EGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206173194 1370980135 /nfs/dbraw/zinc/98/01/35/1370980135.db2.gz FZAQFWHSOBCPGY-LSDHHAIUSA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c(Cl)nc2c1 ZINC001206173194 1370980137 /nfs/dbraw/zinc/98/01/37/1370980137.db2.gz FZAQFWHSOBCPGY-LSDHHAIUSA-N 2 2 337.826 3.158 20 0 EGADLP [NH3+]Cc1ccc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC001206285925 1371013141 /nfs/dbraw/zinc/01/31/41/1371013141.db2.gz PKPCHTZACGWEIL-UHFFFAOYSA-N 2 2 331.257 3.466 20 0 EGADLP [NH3+]Cc1ccc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC001206285925 1371013145 /nfs/dbraw/zinc/01/31/45/1371013145.db2.gz PKPCHTZACGWEIL-UHFFFAOYSA-N 2 2 331.257 3.466 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206381423 1371039420 /nfs/dbraw/zinc/03/94/20/1371039420.db2.gz YKOKRLFPFMNSKC-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001206381423 1371039424 /nfs/dbraw/zinc/03/94/24/1371039424.db2.gz YKOKRLFPFMNSKC-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(F)cc1Br ZINC001206632476 1371114713 /nfs/dbraw/zinc/11/47/13/1371114713.db2.gz LEMOBZPLDLUYJU-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(F)cc1Br ZINC001206632476 1371114715 /nfs/dbraw/zinc/11/47/15/1371114715.db2.gz LEMOBZPLDLUYJU-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207125717 1371301577 /nfs/dbraw/zinc/30/15/77/1371301577.db2.gz IBKQPLIMRGZWHJ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC001207125717 1371301579 /nfs/dbraw/zinc/30/15/79/1371301579.db2.gz IBKQPLIMRGZWHJ-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001119381344 1371326378 /nfs/dbraw/zinc/32/63/78/1371326378.db2.gz RWAYTBUXBSNIOA-KRWDZBQOSA-N 2 2 331.847 3.349 20 0 EGADLP CC(C)[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207213374 1371330626 /nfs/dbraw/zinc/33/06/26/1371330626.db2.gz CMSSONAOTHMPHS-MRXNPFEDSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207213374 1371330627 /nfs/dbraw/zinc/33/06/27/1371330627.db2.gz CMSSONAOTHMPHS-MRXNPFEDSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001207274950 1371347484 /nfs/dbraw/zinc/34/74/84/1371347484.db2.gz HUPVIACYPRDZFW-UHFFFAOYSA-N 2 2 343.437 3.415 20 0 EGADLP COc1ccccc1CC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001207456528 1371401144 /nfs/dbraw/zinc/40/11/44/1371401144.db2.gz PCCVBIYAFKNTHA-HDICACEKSA-N 2 2 340.467 3.285 20 0 EGADLP COc1ccccc1CC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001207456528 1371401148 /nfs/dbraw/zinc/40/11/48/1371401148.db2.gz PCCVBIYAFKNTHA-HDICACEKSA-N 2 2 340.467 3.285 20 0 EGADLP COc1ccccc1CC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001207456528 1371401153 /nfs/dbraw/zinc/40/11/53/1371401153.db2.gz PCCVBIYAFKNTHA-HDICACEKSA-N 2 2 340.467 3.285 20 0 EGADLP COc1ccccc1CC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001207456528 1371401161 /nfs/dbraw/zinc/40/11/61/1371401161.db2.gz PCCVBIYAFKNTHA-HDICACEKSA-N 2 2 340.467 3.285 20 0 EGADLP COc1cccc(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207572669 1371439289 /nfs/dbraw/zinc/43/92/89/1371439289.db2.gz BCSBVUUALOMUGN-IBGZPJMESA-N 2 2 326.440 3.485 20 0 EGADLP COc1cccc(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001207572669 1371439291 /nfs/dbraw/zinc/43/92/91/1371439291.db2.gz BCSBVUUALOMUGN-IBGZPJMESA-N 2 2 326.440 3.485 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620976 1371453965 /nfs/dbraw/zinc/45/39/65/1371453965.db2.gz YIAFOSKMWDTYLM-BBWFWOEESA-N 2 2 328.504 3.096 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001120069121 1371477195 /nfs/dbraw/zinc/47/71/95/1371477195.db2.gz ULVMMVGMRIVPLQ-UHFFFAOYSA-N 2 2 346.519 3.106 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CCSCC1)[C@H]2C ZINC001207727537 1371487256 /nfs/dbraw/zinc/48/72/56/1371487256.db2.gz GGKAACMSYZJITO-HNNXBMFYSA-N 2 2 336.549 3.243 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CCSCC1)[C@H]2C ZINC001207727537 1371487259 /nfs/dbraw/zinc/48/72/59/1371487259.db2.gz GGKAACMSYZJITO-HNNXBMFYSA-N 2 2 336.549 3.243 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CCSCC1)[C@H]2C ZINC001207727537 1371487262 /nfs/dbraw/zinc/48/72/62/1371487262.db2.gz GGKAACMSYZJITO-HNNXBMFYSA-N 2 2 336.549 3.243 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CCSCC1)[C@H]2C ZINC001207727537 1371487266 /nfs/dbraw/zinc/48/72/66/1371487266.db2.gz GGKAACMSYZJITO-HNNXBMFYSA-N 2 2 336.549 3.243 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175783 1371619127 /nfs/dbraw/zinc/61/91/27/1371619127.db2.gz NTOPSKXNCURCBY-ZWKOTPCHSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[NH+]2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175783 1371619131 /nfs/dbraw/zinc/61/91/31/1371619131.db2.gz NTOPSKXNCURCBY-ZWKOTPCHSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175783 1371619134 /nfs/dbraw/zinc/61/91/34/1371619134.db2.gz NTOPSKXNCURCBY-ZWKOTPCHSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175783 1371619138 /nfs/dbraw/zinc/61/91/38/1371619138.db2.gz NTOPSKXNCURCBY-ZWKOTPCHSA-N 2 2 345.535 3.316 20 0 EGADLP CC(C)CC[C@@H](O)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001120581160 1371623310 /nfs/dbraw/zinc/62/33/10/1371623310.db2.gz HJKUQUNWLQYELL-AZUAARDMSA-N 2 2 348.531 3.273 20 0 EGADLP C[NH+](C)CC1(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)CCCC1 ZINC001208184520 1371624160 /nfs/dbraw/zinc/62/41/60/1371624160.db2.gz MBTXSXZOTHTOFJ-DHZHZOJOSA-N 2 2 341.543 3.439 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001208421146 1371761943 /nfs/dbraw/zinc/76/19/43/1371761943.db2.gz XELICMIBGJGCDO-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208421147 1371762106 /nfs/dbraw/zinc/76/21/06/1371762106.db2.gz XELICMIBGJGCDO-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371844999 /nfs/dbraw/zinc/84/49/99/1371844999.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371845004 /nfs/dbraw/zinc/84/50/04/1371845004.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371845006 /nfs/dbraw/zinc/84/50/06/1371845006.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208619085 1371845013 /nfs/dbraw/zinc/84/50/13/1371845013.db2.gz VDIBZKDGPQZATG-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001208648547 1371852148 /nfs/dbraw/zinc/85/21/48/1371852148.db2.gz KCZPJBQQIMRDIP-AWEZNQCLSA-N 2 2 343.393 3.153 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](CCCc3ccccc3Br)C[C@@H]2C1 ZINC001208847925 1371916177 /nfs/dbraw/zinc/91/61/77/1371916177.db2.gz IHELZRUFSOZQLE-HOTGVXAUSA-N 2 2 337.305 3.265 20 0 EGADLP c1csc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001209223174 1372042098 /nfs/dbraw/zinc/04/20/98/1372042098.db2.gz UICPEOKDSPCOKZ-MSOLQXFVSA-N 2 2 327.497 3.140 20 0 EGADLP c1csc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001209223174 1372042100 /nfs/dbraw/zinc/04/21/00/1372042100.db2.gz UICPEOKDSPCOKZ-MSOLQXFVSA-N 2 2 327.497 3.140 20 0 EGADLP c1csc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001209223174 1372042104 /nfs/dbraw/zinc/04/21/04/1372042104.db2.gz UICPEOKDSPCOKZ-MSOLQXFVSA-N 2 2 327.497 3.140 20 0 EGADLP c1csc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001209223174 1372042107 /nfs/dbraw/zinc/04/21/07/1372042107.db2.gz UICPEOKDSPCOKZ-MSOLQXFVSA-N 2 2 327.497 3.140 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC001209382864 1372084561 /nfs/dbraw/zinc/08/45/61/1372084561.db2.gz STJWEGKKXMXWBZ-BJWYYQGGSA-N 2 2 348.535 3.087 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC001209382864 1372084563 /nfs/dbraw/zinc/08/45/63/1372084563.db2.gz STJWEGKKXMXWBZ-BJWYYQGGSA-N 2 2 348.535 3.087 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121841583 1372098272 /nfs/dbraw/zinc/09/82/72/1372098272.db2.gz IFDJNCKNMMRXKG-FUSSNKQKSA-N 2 2 346.519 3.432 20 0 EGADLP FC(F)(F)c1nc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)no1 ZINC001209448834 1372109414 /nfs/dbraw/zinc/10/94/14/1372109414.db2.gz LELMDEVSJPFSKZ-UHFFFAOYSA-N 2 2 346.397 3.144 20 0 EGADLP Cc1cc(N)[nH+]cc1Nc1cc[nH+]c(CNC(=O)OC(C)(C)C)c1 ZINC001209967213 1372243670 /nfs/dbraw/zinc/24/36/70/1372243670.db2.gz OHCFFRVBBZSSAY-UHFFFAOYSA-N 2 2 329.404 3.136 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438628 1372353647 /nfs/dbraw/zinc/35/36/47/1372353647.db2.gz VOIXPCCHEPKJPE-SFHVURJKSA-N 2 2 338.455 3.033 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210519435 1372371106 /nfs/dbraw/zinc/37/11/06/1372371106.db2.gz PKVHPBADMQSKSF-GFCCVEGCSA-N 2 2 338.377 3.279 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210519435 1372371109 /nfs/dbraw/zinc/37/11/09/1372371109.db2.gz PKVHPBADMQSKSF-GFCCVEGCSA-N 2 2 338.377 3.279 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001214946000 1373146217 /nfs/dbraw/zinc/14/62/17/1373146217.db2.gz HKOZOULAGQWHHT-JFIYKMOQSA-N 2 2 348.535 3.045 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001130001081 1373444716 /nfs/dbraw/zinc/44/47/16/1373444716.db2.gz BUNJFJNIELWSHI-GOSISDBHSA-N 2 2 348.535 3.393 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1 ZINC001217699064 1373490067 /nfs/dbraw/zinc/49/00/67/1373490067.db2.gz JVKHIOILTPFYGP-CQSZACIVSA-N 2 2 348.328 3.381 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001131562737 1373721906 /nfs/dbraw/zinc/72/19/06/1373721906.db2.gz HWPGPMAFQNAOKI-MRXNPFEDSA-N 2 2 325.456 3.396 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001326845929 1388328929 /nfs/dbraw/zinc/32/89/29/1388328929.db2.gz WWIOFEYLENYMIM-UHFFFAOYSA-N 2 2 328.460 3.241 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195642 1375201500 /nfs/dbraw/zinc/20/15/00/1375201500.db2.gz RVKJDGOIKYAFFJ-ZGKJDNBHSA-N 2 2 346.519 3.068 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195642 1375201510 /nfs/dbraw/zinc/20/15/10/1375201510.db2.gz RVKJDGOIKYAFFJ-ZGKJDNBHSA-N 2 2 346.519 3.068 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC001226696744 1375310715 /nfs/dbraw/zinc/31/07/15/1375310715.db2.gz KOFUAOJGQCBQSZ-KFKAGJAMSA-N 2 2 340.471 3.121 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC001226696744 1375310721 /nfs/dbraw/zinc/31/07/21/1375310721.db2.gz KOFUAOJGQCBQSZ-KFKAGJAMSA-N 2 2 340.471 3.121 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073054 1375384462 /nfs/dbraw/zinc/38/44/62/1375384462.db2.gz GQJQKSYKJXQMAP-IAGOWNOFSA-N 2 2 328.460 3.384 20 0 EGADLP CC1(C)CCC(C[NH+]2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001227139160 1375395577 /nfs/dbraw/zinc/39/55/77/1375395577.db2.gz WRIAWFJSUBQUKR-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cc[nH+]c(C)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001227263730 1375413781 /nfs/dbraw/zinc/41/37/81/1375413781.db2.gz HPTJFVLTNOMOSB-IBGZPJMESA-N 2 2 326.440 3.368 20 0 EGADLP Cc1cc[nH+]c(C)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001227263730 1375413785 /nfs/dbraw/zinc/41/37/85/1375413785.db2.gz HPTJFVLTNOMOSB-IBGZPJMESA-N 2 2 326.440 3.368 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132545666 1375452506 /nfs/dbraw/zinc/45/25/06/1375452506.db2.gz DGXBEFQWUXGYJG-WMZOPIPTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132545666 1375452508 /nfs/dbraw/zinc/45/25/08/1375452508.db2.gz DGXBEFQWUXGYJG-WMZOPIPTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001228852360 1375693445 /nfs/dbraw/zinc/69/34/45/1375693445.db2.gz JHIXPAVOXBIGNH-GVDBMIGSSA-N 2 2 334.508 3.287 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610793 1376101021 /nfs/dbraw/zinc/10/10/21/1376101021.db2.gz HOAMDIWZZZIGRW-DDKKJVIOSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610793 1376101024 /nfs/dbraw/zinc/10/10/24/1376101024.db2.gz HOAMDIWZZZIGRW-DDKKJVIOSA-N 2 2 344.503 3.012 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629948 1376108192 /nfs/dbraw/zinc/10/81/92/1376108192.db2.gz QYKXYXTXIBCSDX-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230629948 1376108198 /nfs/dbraw/zinc/10/81/98/1376108198.db2.gz QYKXYXTXIBCSDX-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)s1 ZINC001231499231 1376251685 /nfs/dbraw/zinc/25/16/85/1376251685.db2.gz KCQRKAKIKNFAHC-HZPDHXFCSA-N 2 2 327.497 3.269 20 0 EGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)s1 ZINC001231498204 1376252257 /nfs/dbraw/zinc/25/22/57/1376252257.db2.gz BYTYTHFLBQWERU-IRXDYDNUSA-N 2 2 327.497 3.269 20 0 EGADLP CCCC[NH+]1CCC([N@H+](C)Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232138486 1376406211 /nfs/dbraw/zinc/40/62/11/1376406211.db2.gz UIUFIBLDZPTQPD-UHFFFAOYSA-N 2 2 328.460 3.433 20 0 EGADLP CCCC[NH+]1CCC([N@@H+](C)Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232138486 1376406213 /nfs/dbraw/zinc/40/62/13/1376406213.db2.gz UIUFIBLDZPTQPD-UHFFFAOYSA-N 2 2 328.460 3.433 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403807 1376512440 /nfs/dbraw/zinc/51/24/40/1376512440.db2.gz UHXDTKSMBLNPOL-DLBZAZTESA-N 2 2 348.535 3.071 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544102 1376584091 /nfs/dbraw/zinc/58/40/91/1376584091.db2.gz CPGBNUJHQVHKBZ-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544102 1376584094 /nfs/dbraw/zinc/58/40/94/1376584094.db2.gz CPGBNUJHQVHKBZ-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544369 1376584159 /nfs/dbraw/zinc/58/41/59/1376584159.db2.gz GGRKBBCSKNIEKX-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544369 1376584166 /nfs/dbraw/zinc/58/41/66/1376584166.db2.gz GGRKBBCSKNIEKX-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233228540 1376593420 /nfs/dbraw/zinc/59/34/20/1376593420.db2.gz CPWYSUYEZIHCTC-IRXDYDNUSA-N 2 2 328.481 3.326 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3cc4cccnc4s3)CC2)CC1 ZINC001233349814 1376625242 /nfs/dbraw/zinc/62/52/42/1376625242.db2.gz JDWRWSSIWTXWGM-UHFFFAOYSA-N 2 2 345.512 3.372 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1 ZINC001134737027 1376687706 /nfs/dbraw/zinc/68/77/06/1376687706.db2.gz MTEKCZZWDWAAOL-CABCVRRESA-N 2 2 336.439 3.250 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001134745305 1376693476 /nfs/dbraw/zinc/69/34/76/1376693476.db2.gz USNLKLFPTFVOPO-JKSUJKDBSA-N 2 2 349.519 3.332 20 0 EGADLP CC/C=C\CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134968963 1376817697 /nfs/dbraw/zinc/81/76/97/1376817697.db2.gz KHPYDAKPTKRKDX-ILNYKDOHSA-N 2 2 328.460 3.177 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CC(C)(C)C1 ZINC001134970586 1376819643 /nfs/dbraw/zinc/81/96/43/1376819643.db2.gz RAQYPZWSUYWFSM-CABCVRRESA-N 2 2 342.487 3.257 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021510 1376829297 /nfs/dbraw/zinc/82/92/97/1376829297.db2.gz JBAKDNWINDJEGU-HXUWFJFHSA-N 2 2 326.440 3.149 20 0 EGADLP c1cc(-c2ccccc2)oc1C[N@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235021510 1376829301 /nfs/dbraw/zinc/82/93/01/1376829301.db2.gz JBAKDNWINDJEGU-HXUWFJFHSA-N 2 2 326.440 3.149 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccns2)c(C)[nH+]1 ZINC001135042908 1376863866 /nfs/dbraw/zinc/86/38/66/1376863866.db2.gz DLOWHEONAAWNHZ-OCCSQVGLSA-N 2 2 346.500 3.150 20 0 EGADLP CCCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044061 1376864914 /nfs/dbraw/zinc/86/49/14/1376864914.db2.gz OFVLZCJWPQKPEU-NVXWUHKLSA-N 2 2 349.519 3.310 20 0 EGADLP CCOC(=O)CC[N@@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235430586 1376871363 /nfs/dbraw/zinc/87/13/63/1376871363.db2.gz JDHCLAWDSIXYNC-HXUWFJFHSA-N 2 2 340.467 3.012 20 0 EGADLP CCOC(=O)CC[N@H+](Cc1ccccc1)C[C@H]([NH3+])Cc1ccccc1 ZINC001235430586 1376871368 /nfs/dbraw/zinc/87/13/68/1376871368.db2.gz JDHCLAWDSIXYNC-HXUWFJFHSA-N 2 2 340.467 3.012 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001135071726 1376880582 /nfs/dbraw/zinc/88/05/82/1376880582.db2.gz JCOOPLKIXCCJBF-GTPINHCMSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001135071726 1376880585 /nfs/dbraw/zinc/88/05/85/1376880585.db2.gz JCOOPLKIXCCJBF-GTPINHCMSA-N 2 2 348.535 3.147 20 0 EGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OC)c3ccc(OC)cc23)CC1 ZINC001235725757 1376886527 /nfs/dbraw/zinc/88/65/27/1376886527.db2.gz ZUJAFUUYTRKJEL-UHFFFAOYSA-N 2 2 328.456 3.431 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135096885 1376894479 /nfs/dbraw/zinc/89/44/79/1376894479.db2.gz CKZCUAAJDQKJPK-PXQLCEJZSA-N 2 2 346.862 3.111 20 0 EGADLP C[C@@H]([NH3+])C[NH+]1CCC(n2c3ccccc3nc2C(F)(F)F)CC1 ZINC001235783076 1376895922 /nfs/dbraw/zinc/89/59/22/1376895922.db2.gz ZZRHBSQXZSUZML-LLVKDONJSA-N 2 2 326.366 3.039 20 0 EGADLP COCC[N@H+](CCCCCOCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236331754 1376950931 /nfs/dbraw/zinc/95/09/31/1376950931.db2.gz YZIYQYOFFCDGOS-HXUWFJFHSA-N 2 2 334.504 3.074 20 0 EGADLP COCC[N@@H+](CCCCCOCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236331754 1376950939 /nfs/dbraw/zinc/95/09/39/1376950939.db2.gz YZIYQYOFFCDGOS-HXUWFJFHSA-N 2 2 334.504 3.074 20 0 EGADLP C[NH+]1CCC(CC[N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236388928 1376952193 /nfs/dbraw/zinc/95/21/93/1376952193.db2.gz RBPVUJUJIJAZHY-FQEVSTJZSA-N 3 2 333.495 3.112 20 0 EGADLP C[NH+]1CCC(CC[N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236388928 1376952198 /nfs/dbraw/zinc/95/21/98/1376952198.db2.gz RBPVUJUJIJAZHY-FQEVSTJZSA-N 3 2 333.495 3.112 20 0 EGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237141639 1376975589 /nfs/dbraw/zinc/97/55/89/1376975589.db2.gz JCWKVFBYRVNZSU-DYESRHJHSA-N 2 2 330.516 3.227 20 0 EGADLP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237141639 1376975591 /nfs/dbraw/zinc/97/55/91/1376975591.db2.gz JCWKVFBYRVNZSU-DYESRHJHSA-N 2 2 330.516 3.227 20 0 EGADLP Cc1ccc(Oc2cccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142110 1376976234 /nfs/dbraw/zinc/97/62/34/1376976234.db2.gz MJFLCYQOKDNPGT-NRFANRHFSA-N 2 2 338.451 3.352 20 0 EGADLP Cc1ccc(Oc2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142110 1376976239 /nfs/dbraw/zinc/97/62/39/1376976239.db2.gz MJFLCYQOKDNPGT-NRFANRHFSA-N 2 2 338.451 3.352 20 0 EGADLP Fc1ccc(Oc2cccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142071 1376976954 /nfs/dbraw/zinc/97/69/54/1376976954.db2.gz LUALERREDNHFKC-FQEVSTJZSA-N 2 2 342.414 3.182 20 0 EGADLP Fc1ccc(Oc2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)cc1 ZINC001237142071 1376976956 /nfs/dbraw/zinc/97/69/56/1376976956.db2.gz LUALERREDNHFKC-FQEVSTJZSA-N 2 2 342.414 3.182 20 0 EGADLP Cc1cc(-c2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)c[nH+]c1N ZINC001245535789 1377047079 /nfs/dbraw/zinc/04/70/79/1377047079.db2.gz AADSUIUAVXKBIQ-UHFFFAOYSA-N 2 2 334.345 3.430 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C2(Cc3ccccc3Cl)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381951 1377051746 /nfs/dbraw/zinc/05/17/46/1377051746.db2.gz VJGXDBRIGBKQMH-INIZCTEOSA-N 3 2 335.923 3.125 20 0 EGADLP Fc1cccc(C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCc3ncsc3C2)c1 ZINC001246939245 1377055933 /nfs/dbraw/zinc/05/59/33/1377055933.db2.gz UJIGPMRDYIGCDG-IAGOWNOFSA-N 2 2 345.487 3.394 20 0 EGADLP Fc1cccc(C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2CCc3ncsc3C2)c1 ZINC001246939245 1377055935 /nfs/dbraw/zinc/05/59/35/1377055935.db2.gz UJIGPMRDYIGCDG-IAGOWNOFSA-N 2 2 345.487 3.394 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254508502 1377105487 /nfs/dbraw/zinc/10/54/87/1377105487.db2.gz JTYREOHZUVCMJE-SFHVURJKSA-N 3 2 333.495 3.172 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254508502 1377105489 /nfs/dbraw/zinc/10/54/89/1377105489.db2.gz JTYREOHZUVCMJE-SFHVURJKSA-N 3 2 333.495 3.172 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840256 1377228281 /nfs/dbraw/zinc/22/82/81/1377228281.db2.gz FZRYJMAFLQZNMZ-DGPIVGRDSA-N 2 2 346.862 3.111 20 0 EGADLP CC(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840509 1377228989 /nfs/dbraw/zinc/22/89/89/1377228989.db2.gz KBANMKRRXVFLQP-IAGOWNOFSA-N 2 2 342.487 3.405 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001267153307 1377418239 /nfs/dbraw/zinc/41/82/39/1377418239.db2.gz GALAEYYWOIEFSC-HNNXBMFYSA-N 2 2 334.508 3.106 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465238 /nfs/dbraw/zinc/46/52/38/1377465238.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5[nH]cnc5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465240 /nfs/dbraw/zinc/46/52/40/1377465240.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5[nH]cnc5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465242 /nfs/dbraw/zinc/46/52/42/1377465242.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5[nH]cnc5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465244 /nfs/dbraw/zinc/46/52/44/1377465244.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465246 /nfs/dbraw/zinc/46/52/46/1377465246.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc5nc[nH]c5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465248 /nfs/dbraw/zinc/46/52/48/1377465248.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc5nc[nH]c5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465250 /nfs/dbraw/zinc/46/52/50/1377465250.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc5nc[nH]c5c4)C[C@@H]3C2)cc1 ZINC001137044213 1377465252 /nfs/dbraw/zinc/46/52/52/1377465252.db2.gz RUKSXRQBZRIFLN-BGYRXZFFSA-N 2 2 346.478 3.435 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3ccccc3-n3cccn3)CC2)CC1 ZINC001137099462 1377477778 /nfs/dbraw/zinc/47/77/78/1377477778.db2.gz OYXMTKWLKGBLJC-UHFFFAOYSA-N 2 2 342.462 3.271 20 0 EGADLP Cc1csc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001137155721 1377487407 /nfs/dbraw/zinc/48/74/07/1377487407.db2.gz GKXRYDUGPXLQJE-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP Cc1csc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001137155721 1377487408 /nfs/dbraw/zinc/48/74/08/1377487408.db2.gz GKXRYDUGPXLQJE-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP Cc1csc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001137155721 1377487409 /nfs/dbraw/zinc/48/74/09/1377487409.db2.gz GKXRYDUGPXLQJE-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP Cc1csc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001137155721 1377487410 /nfs/dbraw/zinc/48/74/10/1377487410.db2.gz GKXRYDUGPXLQJE-PKOBYXMFSA-N 2 2 334.529 3.379 20 0 EGADLP Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)n2c1 ZINC001137309007 1377514261 /nfs/dbraw/zinc/51/42/61/1377514261.db2.gz SSSYUQIGUFAHHB-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)n2c1 ZINC001137309007 1377514264 /nfs/dbraw/zinc/51/42/64/1377514264.db2.gz SSSYUQIGUFAHHB-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP COCC[N@H+](Cc1ccc(O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001138060229 1377672191 /nfs/dbraw/zinc/67/21/91/1377672191.db2.gz VAOSJJSUDZEDGQ-UHFFFAOYSA-N 2 2 328.456 3.088 20 0 EGADLP COCC[N@@H+](Cc1ccc(O)c2ccccc12)C1CC[NH+](C)CC1 ZINC001138060229 1377672195 /nfs/dbraw/zinc/67/21/95/1377672195.db2.gz VAOSJJSUDZEDGQ-UHFFFAOYSA-N 2 2 328.456 3.088 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)cc2c1 ZINC001138418868 1377720047 /nfs/dbraw/zinc/72/00/47/1377720047.db2.gz UNEKUVKFQBMGPF-UHFFFAOYSA-N 2 2 326.444 3.106 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)cc1 ZINC001138547137 1377740156 /nfs/dbraw/zinc/74/01/56/1377740156.db2.gz FUBZQCMQGPXUFY-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC[NH+](C)CC1 ZINC001138554839 1377741767 /nfs/dbraw/zinc/74/17/67/1377741767.db2.gz XRSHMKWPGLECBK-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC[NH+](C)CC1 ZINC001138554839 1377741768 /nfs/dbraw/zinc/74/17/68/1377741768.db2.gz XRSHMKWPGLECBK-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[N@@H+](Cc1cc(Cl)cc(OC)c1OC)C1CC[NH+](C)CC1 ZINC001138746779 1377779068 /nfs/dbraw/zinc/77/90/68/1377779068.db2.gz NBKIBUKEQPBJTK-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CC[N@H+](Cc1cc(Cl)cc(OC)c1OC)C1CC[NH+](C)CC1 ZINC001138746779 1377779067 /nfs/dbraw/zinc/77/90/67/1377779067.db2.gz NBKIBUKEQPBJTK-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCC)c(OCC)c3)C[C@H]2C1 ZINC001138976534 1377811928 /nfs/dbraw/zinc/81/19/28/1377811928.db2.gz HPPOUHAROZMGEV-QZTJIDSGSA-N 2 2 332.488 3.258 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001139156604 1377841469 /nfs/dbraw/zinc/84/14/69/1377841469.db2.gz XGDVCFYWCZXNRS-WOJBJXKFSA-N 2 2 346.478 3.137 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)c1 ZINC001139339672 1377870967 /nfs/dbraw/zinc/87/09/67/1377870967.db2.gz FSFNSKNUSALGIB-UHFFFAOYSA-N 2 2 349.434 3.271 20 0 EGADLP CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139358357 1377873270 /nfs/dbraw/zinc/87/32/70/1377873270.db2.gz PRBGHXBBVUNEAX-KRWDZBQOSA-N 2 2 343.427 3.398 20 0 EGADLP CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139358357 1377873278 /nfs/dbraw/zinc/87/32/78/1377873278.db2.gz PRBGHXBBVUNEAX-KRWDZBQOSA-N 2 2 343.427 3.398 20 0 EGADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139767592 1377948152 /nfs/dbraw/zinc/94/81/52/1377948152.db2.gz WWFJINLGGBMBNN-ZWKOTPCHSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139767592 1377948153 /nfs/dbraw/zinc/94/81/53/1377948153.db2.gz WWFJINLGGBMBNN-ZWKOTPCHSA-N 2 2 332.488 3.018 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cncc5ccccc54)C[C@H]3C2)nc1 ZINC001139895535 1377974083 /nfs/dbraw/zinc/97/40/83/1377974083.db2.gz HIVXEQUOZIGWSZ-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cncc5ccccc54)C[C@H]3C2)nc1 ZINC001139895535 1377974084 /nfs/dbraw/zinc/97/40/84/1377974084.db2.gz HIVXEQUOZIGWSZ-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cncc5ccccc54)C[C@H]3C2)nc1 ZINC001139895535 1377974086 /nfs/dbraw/zinc/97/40/86/1377974086.db2.gz HIVXEQUOZIGWSZ-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cncc5ccccc54)C[C@H]3C2)nc1 ZINC001139895535 1377974088 /nfs/dbraw/zinc/97/40/88/1377974088.db2.gz HIVXEQUOZIGWSZ-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140022171 1377991326 /nfs/dbraw/zinc/99/13/26/1377991326.db2.gz ZXQRKQMCTSUTEL-KRWDZBQOSA-N 2 2 341.455 3.346 20 0 EGADLP CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140022171 1377991328 /nfs/dbraw/zinc/99/13/28/1377991328.db2.gz ZXQRKQMCTSUTEL-KRWDZBQOSA-N 2 2 341.455 3.346 20 0 EGADLP COc1cc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)ccc1C ZINC001140162445 1378023172 /nfs/dbraw/zinc/02/31/72/1378023172.db2.gz WEIZICBFMDCCOJ-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP c1oc2ccccc2c1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140783847 1378135719 /nfs/dbraw/zinc/13/57/19/1378135719.db2.gz MIMSXNCIZLHIFM-CALCHBBNSA-N 2 2 333.435 3.392 20 0 EGADLP c1oc2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140783847 1378135721 /nfs/dbraw/zinc/13/57/21/1378135721.db2.gz MIMSXNCIZLHIFM-CALCHBBNSA-N 2 2 333.435 3.392 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140783847 1378135724 /nfs/dbraw/zinc/13/57/24/1378135724.db2.gz MIMSXNCIZLHIFM-CALCHBBNSA-N 2 2 333.435 3.392 20 0 EGADLP c1oc2ccccc2c1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140783847 1378135725 /nfs/dbraw/zinc/13/57/25/1378135725.db2.gz MIMSXNCIZLHIFM-CALCHBBNSA-N 2 2 333.435 3.392 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803987 1378143840 /nfs/dbraw/zinc/14/38/40/1378143840.db2.gz YGGHQFJTOVAWLW-AWEZNQCLSA-N 2 2 344.459 3.300 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803987 1378143844 /nfs/dbraw/zinc/14/38/44/1378143844.db2.gz YGGHQFJTOVAWLW-AWEZNQCLSA-N 2 2 344.459 3.300 20 0 EGADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@H]3COC)CC2)c[nH+]1 ZINC001141070978 1378228486 /nfs/dbraw/zinc/22/84/86/1378228486.db2.gz WJTPGRMYDJMCKC-MRXNPFEDSA-N 2 2 335.492 3.017 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141243219 1378281387 /nfs/dbraw/zinc/28/13/87/1378281387.db2.gz AIXOXHCRTCVNST-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(-n3ccnc3)c2)C1 ZINC001141243219 1378281389 /nfs/dbraw/zinc/28/13/89/1378281389.db2.gz AIXOXHCRTCVNST-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)nc3C)C[C@@H]2C1 ZINC001141438263 1378326407 /nfs/dbraw/zinc/32/64/07/1378326407.db2.gz QDIOIVAAEOPEGU-GJZGRUSLSA-N 2 2 327.394 3.182 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@H]3C2)c1 ZINC001142676689 1378474804 /nfs/dbraw/zinc/47/48/04/1378474804.db2.gz NRIHHVXAZRGHPZ-HOTGVXAUSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@H]3C2)c1 ZINC001142676689 1378474805 /nfs/dbraw/zinc/47/48/05/1378474805.db2.gz NRIHHVXAZRGHPZ-HOTGVXAUSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5[nH]cnc54)C[C@@H]3C2)c1 ZINC001142676690 1378474842 /nfs/dbraw/zinc/47/48/42/1378474842.db2.gz NRIHHVXAZRGHPZ-HZPDHXFCSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5nc[nH]c54)C[C@@H]3C2)c1 ZINC001142676690 1378474843 /nfs/dbraw/zinc/47/48/43/1378474843.db2.gz NRIHHVXAZRGHPZ-HZPDHXFCSA-N 2 2 338.480 3.188 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1nccnc1-c1ccc(Cl)cc1)C2 ZINC001142978639 1378521113 /nfs/dbraw/zinc/52/11/13/1378521113.db2.gz WNFJQSPICFSHLO-DNVCBOLYSA-N 2 2 342.874 3.181 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1nccnc1-c1ccc(Cl)cc1)C2 ZINC001142978639 1378521116 /nfs/dbraw/zinc/52/11/16/1378521116.db2.gz WNFJQSPICFSHLO-DNVCBOLYSA-N 2 2 342.874 3.181 20 0 EGADLP c1sc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2c1OCCO2 ZINC001143187590 1378556049 /nfs/dbraw/zinc/55/60/49/1378556049.db2.gz XHXVHIVEILGGBZ-HNNXBMFYSA-N 2 2 336.501 3.360 20 0 EGADLP c1sc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2c1OCCO2 ZINC001143187590 1378556050 /nfs/dbraw/zinc/55/60/50/1378556050.db2.gz XHXVHIVEILGGBZ-HNNXBMFYSA-N 2 2 336.501 3.360 20 0 EGADLP FC(F)(F)Oc1cc(Cl)ccc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001143436576 1378597392 /nfs/dbraw/zinc/59/73/92/1378597392.db2.gz ONUKHWLOAONFLT-UHFFFAOYSA-N 2 2 345.752 3.493 20 0 EGADLP FC(F)(F)Oc1cc(Cl)ccc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001143436576 1378597393 /nfs/dbraw/zinc/59/73/93/1378597393.db2.gz ONUKHWLOAONFLT-UHFFFAOYSA-N 2 2 345.752 3.493 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn2cc[nH+]c2)cs1 ZINC001146713290 1378905698 /nfs/dbraw/zinc/90/56/98/1378905698.db2.gz IZYKYLAMHMNXPN-LSDHHAIUSA-N 2 2 348.516 3.106 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358235 1379156660 /nfs/dbraw/zinc/15/66/60/1379156660.db2.gz YFMIUCTUDFOXQP-ZWKOTPCHSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358235 1379156663 /nfs/dbraw/zinc/15/66/63/1379156663.db2.gz YFMIUCTUDFOXQP-ZWKOTPCHSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)Cc1ccccc1 ZINC001149138402 1379332081 /nfs/dbraw/zinc/33/20/81/1379332081.db2.gz JAWGHEOFKLEQEZ-HNNXBMFYSA-N 2 2 336.439 3.203 20 0 EGADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)Cc1ccccc1 ZINC001149138402 1379332086 /nfs/dbraw/zinc/33/20/86/1379332086.db2.gz JAWGHEOFKLEQEZ-HNNXBMFYSA-N 2 2 336.439 3.203 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284600085 1380001045 /nfs/dbraw/zinc/00/10/45/1380001045.db2.gz YXYZSWFBQCGQNY-SFHVURJKSA-N 2 2 348.535 3.433 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284600085 1380001046 /nfs/dbraw/zinc/00/10/46/1380001046.db2.gz YXYZSWFBQCGQNY-SFHVURJKSA-N 2 2 348.535 3.433 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)CCCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001153351123 1380061445 /nfs/dbraw/zinc/06/14/45/1380061445.db2.gz OIWIDVICNCYCRT-KRWDZBQOSA-N 2 2 348.878 3.174 20 0 EGADLP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362635 1380065008 /nfs/dbraw/zinc/06/50/08/1380065008.db2.gz QATGEKURJJYGQQ-OAHLLOKOSA-N 2 2 348.466 3.223 20 0 EGADLP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001153362635 1380065012 /nfs/dbraw/zinc/06/50/12/1380065012.db2.gz QATGEKURJJYGQQ-OAHLLOKOSA-N 2 2 348.466 3.223 20 0 EGADLP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760687 1380123309 /nfs/dbraw/zinc/12/33/09/1380123309.db2.gz WLXDICXKLULEJZ-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760687 1380123310 /nfs/dbraw/zinc/12/33/10/1380123310.db2.gz WLXDICXKLULEJZ-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760687 1380123311 /nfs/dbraw/zinc/12/33/11/1380123311.db2.gz WLXDICXKLULEJZ-MRXNPFEDSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@@H+](CC1CCC(C)(C)CC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760687 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3.071 20 0 EGADLP C[C@H](CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001161356306 1382380725 /nfs/dbraw/zinc/38/07/25/1382380725.db2.gz JRXYWIRTWLWMRX-QGZVFWFLSA-N 2 2 346.519 3.409 20 0 EGADLP C[C@H](CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001161356306 1382380732 /nfs/dbraw/zinc/38/07/32/1382380732.db2.gz JRXYWIRTWLWMRX-QGZVFWFLSA-N 2 2 346.519 3.409 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439359 1382411676 /nfs/dbraw/zinc/41/16/76/1382411676.db2.gz LNUOZQSTLJHMOO-QGZVFWFLSA-N 2 2 346.519 3.307 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439359 1382411678 /nfs/dbraw/zinc/41/16/78/1382411678.db2.gz LNUOZQSTLJHMOO-QGZVFWFLSA-N 2 2 346.519 3.307 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439359 1382411681 /nfs/dbraw/zinc/41/16/81/1382411681.db2.gz LNUOZQSTLJHMOO-QGZVFWFLSA-N 2 2 346.519 3.307 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439359 1382411685 /nfs/dbraw/zinc/41/16/85/1382411685.db2.gz LNUOZQSTLJHMOO-QGZVFWFLSA-N 2 2 346.519 3.307 20 0 EGADLP CCOc1cc[nH+]c(NCc2c[nH+]cn2Cc2ccc(OC)cc2)c1 ZINC001161507585 1382425709 /nfs/dbraw/zinc/42/57/09/1382425709.db2.gz QLSJCIJGELMIRX-UHFFFAOYSA-N 2 2 338.411 3.346 20 0 EGADLP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001328631663 1388792831 /nfs/dbraw/zinc/79/28/31/1388792831.db2.gz SFEYIAJRKXYTAV-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP COc1cc[nH+]c(C(C)(C)CNc2cc(N3CCCC3)cc[nH+]2)c1 ZINC001162130122 1382633889 /nfs/dbraw/zinc/63/38/89/1382633889.db2.gz YBTGIEAEHZEWMJ-UHFFFAOYSA-N 2 2 326.444 3.475 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001162432626 1382757121 /nfs/dbraw/zinc/75/71/21/1382757121.db2.gz CYJGLIJOQBAELS-QGZVFWFLSA-N 2 2 336.439 3.195 20 0 EGADLP O=C(NCCC[NH2+]CC1CCC2(CC2)CC1)c1cccc2[nH+]ccn21 ZINC001162433353 1382758029 /nfs/dbraw/zinc/75/80/29/1382758029.db2.gz WSSVRJMAZYFNHN-UHFFFAOYSA-N 2 2 340.471 3.014 20 0 EGADLP CCc1ccccc1C[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910530 1382913216 /nfs/dbraw/zinc/91/32/16/1382913216.db2.gz PYNDYVDLSWVCHK-UHFFFAOYSA-N 2 2 339.483 3.479 20 0 EGADLP C[NH+]1CCN(c2cccc(N[C@H]3CCCc4cc(F)ccc43)[nH+]2)CC1 ZINC001162971298 1382932534 /nfs/dbraw/zinc/93/25/34/1382932534.db2.gz DXYZMZQPWSSJAP-SFHVURJKSA-N 2 2 340.446 3.462 20 0 EGADLP Cc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]cc1C(F)(F)F ZINC001163646818 1383094728 /nfs/dbraw/zinc/09/47/28/1383094728.db2.gz WNZDLSFISAVETC-DZGCQCFKSA-N 2 2 329.366 3.122 20 0 EGADLP c1cnc(C2CC[NH2+]CC2)c(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001163907978 1383135004 /nfs/dbraw/zinc/13/50/04/1383135004.db2.gz CWSJTELWSVVFAP-UHFFFAOYSA-N 2 2 337.471 3.156 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(N2CCC[C@](C)(C[NH3+])CC2)c1)C1CC1 ZINC001164246593 1383171010 /nfs/dbraw/zinc/17/10/10/1383171010.db2.gz BFNTVHSZFVKBNB-PXNSSMCTSA-N 2 2 345.487 3.094 20 0 EGADLP CCCc1cc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC001165089858 1383225919 /nfs/dbraw/zinc/22/59/19/1383225919.db2.gz VEQBNKZOZJYQCA-QUCCMNQESA-N 2 2 336.483 3.448 20 0 EGADLP CCCc1cc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC001165089858 1383225923 /nfs/dbraw/zinc/22/59/23/1383225923.db2.gz VEQBNKZOZJYQCA-QUCCMNQESA-N 2 2 336.483 3.448 20 0 EGADLP C[NH+]1CCN(c2cccc(N3CC[C@H](C4CCCCC4)C3)[nH+]2)CC1 ZINC001165145300 1383236530 /nfs/dbraw/zinc/23/65/30/1383236530.db2.gz VOHXIPMJRFCMDP-SFHVURJKSA-N 2 2 328.504 3.240 20 0 EGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001165195386 1383244990 /nfs/dbraw/zinc/24/49/90/1383244990.db2.gz PWJIZERUSOFTOJ-SREVYHEPSA-N 2 2 343.471 3.031 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@H+](C(C)C)[C@H](C)C3)c2cc1OC ZINC001165199393 1383245510 /nfs/dbraw/zinc/24/55/10/1383245510.db2.gz STEAHKMRXNHYMA-CQSZACIVSA-N 2 2 329.444 3.171 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@@H+](C(C)C)[C@H](C)C3)c2cc1OC ZINC001165199393 1383245512 /nfs/dbraw/zinc/24/55/12/1383245512.db2.gz STEAHKMRXNHYMA-CQSZACIVSA-N 2 2 329.444 3.171 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)cc3ccc(C)cc31)CC[NH2+]CC2 ZINC001165355350 1383280801 /nfs/dbraw/zinc/28/08/01/1383280801.db2.gz VPMDYOYDRSMUHY-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP COc1ccc2[nH+]c(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)cc(C)c2c1 ZINC001165430979 1383295231 /nfs/dbraw/zinc/29/52/31/1383295231.db2.gz OVKOTIHKHRUYTF-BBRMVZONSA-N 2 2 329.419 3.065 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001165593599 1383314113 /nfs/dbraw/zinc/31/41/13/1383314113.db2.gz LVBPTMDOBCHZRO-ADDHZHGLSA-N 2 2 344.503 3.136 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001165593599 1383314120 /nfs/dbraw/zinc/31/41/20/1383314120.db2.gz LVBPTMDOBCHZRO-ADDHZHGLSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001167331304 1383600046 /nfs/dbraw/zinc/60/00/46/1383600046.db2.gz DLGJQKSZJNGSBC-IRXDYDNUSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1)n1cc[nH+]c1 ZINC001167428060 1383631738 /nfs/dbraw/zinc/63/17/38/1383631738.db2.gz GIVSDOFAWKHCLQ-MRXNPFEDSA-N 2 2 340.471 3.008 20 0 EGADLP COC(=[NH2+])c1cccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c1 ZINC001167643708 1383697147 /nfs/dbraw/zinc/69/71/47/1383697147.db2.gz MVSSCXWYVKULBM-UHFFFAOYSA-N 2 2 347.459 3.052 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001167841927 1383756493 /nfs/dbraw/zinc/75/64/93/1383756493.db2.gz USVKMQODGJIBSB-QWHCGFSZSA-N 2 2 347.429 3.184 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001167841927 1383756497 /nfs/dbraw/zinc/75/64/97/1383756497.db2.gz USVKMQODGJIBSB-QWHCGFSZSA-N 2 2 347.429 3.184 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001167977825 1383784808 /nfs/dbraw/zinc/78/48/08/1383784808.db2.gz KEXWHZOUIVTKSC-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001167977825 1383784811 /nfs/dbraw/zinc/78/48/11/1383784811.db2.gz KEXWHZOUIVTKSC-KBPBESRZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001167991336 1383789779 /nfs/dbraw/zinc/78/97/79/1383789779.db2.gz MSMCBUBACYVNNI-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001167991336 1383789782 /nfs/dbraw/zinc/78/97/82/1383789782.db2.gz MSMCBUBACYVNNI-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001350 1383792498 /nfs/dbraw/zinc/79/24/98/1383792498.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 3 2 341.499 3.249 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001350 1383792502 /nfs/dbraw/zinc/79/25/02/1383792502.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 3 2 341.499 3.249 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001350 1383792507 /nfs/dbraw/zinc/79/25/07/1383792507.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 3 2 341.499 3.249 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001350 1383792510 /nfs/dbraw/zinc/79/25/10/1383792510.db2.gz ATHRGXOEISENLO-XNMUZJSGSA-N 3 2 341.499 3.249 20 0 EGADLP C[C@@H]1CC([NH2+]CCCn2cc[nH+]c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005438 1383794743 /nfs/dbraw/zinc/79/47/43/1383794743.db2.gz ITSDBTDKVBKIBW-QZTJIDSGSA-N 3 2 326.488 3.304 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137209 1383824751 /nfs/dbraw/zinc/82/47/51/1383824751.db2.gz NNMWQUHVFWREJB-IZXGSOTDSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@@H]1C[C@H]([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137209 1383824753 /nfs/dbraw/zinc/82/47/53/1383824753.db2.gz NNMWQUHVFWREJB-IZXGSOTDSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137209 1383824756 /nfs/dbraw/zinc/82/47/56/1383824756.db2.gz NNMWQUHVFWREJB-IZXGSOTDSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CCO1 ZINC001168137209 1383824758 /nfs/dbraw/zinc/82/47/58/1383824758.db2.gz NNMWQUHVFWREJB-IZXGSOTDSA-N 2 2 330.516 3.449 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371607 1383886821 /nfs/dbraw/zinc/88/68/21/1383886821.db2.gz PJQZJHNNIBIXKL-AVRDEDQJSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371607 1383886824 /nfs/dbraw/zinc/88/68/24/1383886824.db2.gz PJQZJHNNIBIXKL-AVRDEDQJSA-N 3 2 341.543 3.361 20 0 EGADLP Fc1ccc(F)c(O[C@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390274 1383893596 /nfs/dbraw/zinc/89/35/96/1383893596.db2.gz GAHKYMVDBNWADE-KRWDZBQOSA-N 2 2 336.426 3.292 20 0 EGADLP Fc1ccc(F)c(O[C@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168390274 1383893600 /nfs/dbraw/zinc/89/36/00/1383893600.db2.gz GAHKYMVDBNWADE-KRWDZBQOSA-N 2 2 336.426 3.292 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609309 1383947588 /nfs/dbraw/zinc/94/75/88/1383947588.db2.gz GHXJGNAUDBHQDB-IRFCIJBXSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609309 1383947591 /nfs/dbraw/zinc/94/75/91/1383947591.db2.gz GHXJGNAUDBHQDB-IRFCIJBXSA-N 2 2 344.499 3.379 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307940607 1384060379 /nfs/dbraw/zinc/06/03/79/1384060379.db2.gz HCWLSFOYNYVJIZ-SJORKVTESA-N 2 2 341.540 3.344 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307940607 1384060384 /nfs/dbraw/zinc/06/03/84/1384060384.db2.gz HCWLSFOYNYVJIZ-SJORKVTESA-N 2 2 341.540 3.344 20 0 EGADLP [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cccn2cc[nH+]c12 ZINC001168993727 1384081220 /nfs/dbraw/zinc/08/12/20/1384081220.db2.gz MOEVSMYJLLUDCD-UHFFFAOYSA-N 2 2 325.803 3.218 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001169082208 1384104016 /nfs/dbraw/zinc/10/40/16/1384104016.db2.gz YHKFJUOSAONIIR-BTTYYORXSA-N 2 2 332.341 3.439 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)(F)F)C2 ZINC001169082208 1384104018 /nfs/dbraw/zinc/10/40/18/1384104018.db2.gz YHKFJUOSAONIIR-BTTYYORXSA-N 2 2 332.341 3.439 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100013 1384107574 /nfs/dbraw/zinc/10/75/74/1384107574.db2.gz ZHQJIUJUGSHTFR-ZSOGYDGISA-N 2 2 344.377 3.309 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100013 1384107575 /nfs/dbraw/zinc/10/75/75/1384107575.db2.gz ZHQJIUJUGSHTFR-ZSOGYDGISA-N 2 2 344.377 3.309 20 0 EGADLP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169153540 1384115947 /nfs/dbraw/zinc/11/59/47/1384115947.db2.gz KSIJTBILPHPWJA-INDMIFKZSA-N 2 2 334.504 3.057 20 0 EGADLP CC(=O)OC[C@H]1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169153540 1384115949 /nfs/dbraw/zinc/11/59/49/1384115949.db2.gz KSIJTBILPHPWJA-INDMIFKZSA-N 2 2 334.504 3.057 20 0 EGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160014 1384117270 /nfs/dbraw/zinc/11/72/70/1384117270.db2.gz AEXGEMIEMAQCGE-GEALJGNFSA-N 2 2 331.479 3.130 20 0 EGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160014 1384117271 /nfs/dbraw/zinc/11/72/71/1384117271.db2.gz AEXGEMIEMAQCGE-GEALJGNFSA-N 2 2 331.479 3.130 20 0 EGADLP C[C@H]1CN(c2ccc(NC3CC[NH+](C(C)(C)C)CC3)c[nH+]2)C[C@H](C)O1 ZINC001308730220 1384145280 /nfs/dbraw/zinc/14/52/80/1384145280.db2.gz DWGZWODGMCQDTD-HOTGVXAUSA-N 2 2 346.519 3.370 20 0 EGADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC001308786835 1384149697 /nfs/dbraw/zinc/14/96/97/1384149697.db2.gz HFVCRZBBYGWHKW-MRXNPFEDSA-N 2 2 334.533 3.128 20 0 EGADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)C1 ZINC001308786835 1384149698 /nfs/dbraw/zinc/14/96/98/1384149698.db2.gz HFVCRZBBYGWHKW-MRXNPFEDSA-N 2 2 334.533 3.128 20 0 EGADLP CCOC(=O)N1CCC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001169673039 1384171419 /nfs/dbraw/zinc/17/14/19/1384171419.db2.gz SSDVGPPOFPFUJR-QGZVFWFLSA-N 2 2 342.443 3.192 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001170428194 1384316558 /nfs/dbraw/zinc/31/65/58/1384316558.db2.gz FUDCKXIVTQLYEU-RTBURBONSA-N 2 2 338.451 3.122 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC001170428194 1384316561 /nfs/dbraw/zinc/31/65/61/1384316561.db2.gz FUDCKXIVTQLYEU-RTBURBONSA-N 2 2 338.451 3.122 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001170428191 1384316654 /nfs/dbraw/zinc/31/66/54/1384316654.db2.gz FUDCKXIVTQLYEU-MOPGFXCFSA-N 2 2 338.451 3.122 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001170428191 1384316658 /nfs/dbraw/zinc/31/66/58/1384316658.db2.gz FUDCKXIVTQLYEU-MOPGFXCFSA-N 2 2 338.451 3.122 20 0 EGADLP CC1(C)[C@@H]2C[C@@H]([NH+]3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)C[C@@H]21 ZINC001170749227 1384377483 /nfs/dbraw/zinc/37/74/83/1384377483.db2.gz DHLYKNXVLOBXFH-NNZMDNLPSA-N 2 2 341.499 3.187 20 0 EGADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170868799 1384402055 /nfs/dbraw/zinc/40/20/55/1384402055.db2.gz NMOLTKGGXSGNCO-QGZVFWFLSA-N 2 2 337.305 3.332 20 0 EGADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170868799 1384402057 /nfs/dbraw/zinc/40/20/57/1384402057.db2.gz NMOLTKGGXSGNCO-QGZVFWFLSA-N 2 2 337.305 3.332 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150485 1384455677 /nfs/dbraw/zinc/45/56/77/1384455677.db2.gz AYMNMBPZAZXTJT-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150485 1384455681 /nfs/dbraw/zinc/45/56/81/1384455681.db2.gz AYMNMBPZAZXTJT-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153528 1384455849 /nfs/dbraw/zinc/45/58/49/1384455849.db2.gz YXUGIPGBKAALKO-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153528 1384455852 /nfs/dbraw/zinc/45/58/52/1384455852.db2.gz YXUGIPGBKAALKO-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP COc1cccc2c(NCc3ccccc3N3CC[NH2+]CC3)cc[nH+]c12 ZINC001171283420 1384485295 /nfs/dbraw/zinc/48/52/95/1384485295.db2.gz FJZRMFHUKBOSKL-UHFFFAOYSA-N 2 2 348.450 3.265 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358495 1384501075 /nfs/dbraw/zinc/50/10/75/1384501075.db2.gz IBDRRMAGQFYCER-KBAYOESNSA-N 2 2 346.519 3.358 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358495 1384501082 /nfs/dbraw/zinc/50/10/82/1384501082.db2.gz IBDRRMAGQFYCER-KBAYOESNSA-N 2 2 346.519 3.358 20 0 EGADLP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001171410948 1384515676 /nfs/dbraw/zinc/51/56/76/1384515676.db2.gz ZCVQDBWRFDNQQW-MSOLQXFVSA-N 2 2 336.524 3.391 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171543789 1384557900 /nfs/dbraw/zinc/55/79/00/1384557900.db2.gz ONDIDTUIGXKWBE-CQSZACIVSA-N 2 2 335.373 3.495 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@H](n1cc[nH+]c1[C@@H]1CCC[NH2+]C1)CC2 ZINC001171543448 1384558323 /nfs/dbraw/zinc/55/83/23/1384558323.db2.gz JXAVATUBJPEYTJ-CHWSQXEVSA-N 2 2 335.373 3.497 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CC12CCCCC2 ZINC001172049136 1384712934 /nfs/dbraw/zinc/71/29/34/1384712934.db2.gz NLHGVGGSILMRDO-HOTGVXAUSA-N 2 2 337.508 3.122 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)CC12CCCCC2 ZINC001172049136 1384712935 /nfs/dbraw/zinc/71/29/35/1384712935.db2.gz NLHGVGGSILMRDO-HOTGVXAUSA-N 2 2 337.508 3.122 20 0 EGADLP CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064569 1384715516 /nfs/dbraw/zinc/71/55/16/1384715516.db2.gz COHTYDVQCZSXFF-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064569 1384715518 /nfs/dbraw/zinc/71/55/18/1384715518.db2.gz COHTYDVQCZSXFF-MXEMCNAFSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nc(Br)cs1)C2 ZINC001172108938 1384728358 /nfs/dbraw/zinc/72/83/58/1384728358.db2.gz AKBKGGDFCUDNDS-JGPRNRPPSA-N 2 2 330.295 3.011 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1nc(Br)cs1)C2 ZINC001172108938 1384728360 /nfs/dbraw/zinc/72/83/60/1384728360.db2.gz AKBKGGDFCUDNDS-JGPRNRPPSA-N 2 2 330.295 3.011 20 0 EGADLP CC[C@@H](CC(C)C)[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001172404239 1384785871 /nfs/dbraw/zinc/78/58/71/1384785871.db2.gz TZVJKJPHHOYPST-KRWDZBQOSA-N 2 2 331.508 3.024 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCOC(C)C)CC2)cc1 ZINC001172432639 1384791403 /nfs/dbraw/zinc/79/14/03/1384791403.db2.gz BTQBYQBKHJXFNF-QGZVFWFLSA-N 2 2 334.504 3.453 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CCOC(C)C ZINC001172440477 1384791621 /nfs/dbraw/zinc/79/16/21/1384791621.db2.gz MOWRHYSZBCMUCT-MISYRCLQSA-N 2 2 334.504 3.069 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C)CCOC(C)C ZINC001172440477 1384791627 /nfs/dbraw/zinc/79/16/27/1384791627.db2.gz MOWRHYSZBCMUCT-MISYRCLQSA-N 2 2 334.504 3.069 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001172774474 1384848467 /nfs/dbraw/zinc/84/84/67/1384848467.db2.gz BLIUXKCPMUWDHY-ZCNNSNEGSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001172774474 1384848473 /nfs/dbraw/zinc/84/84/73/1384848473.db2.gz BLIUXKCPMUWDHY-ZCNNSNEGSA-N 2 2 344.499 3.363 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059868 1384904364 /nfs/dbraw/zinc/90/43/64/1384904364.db2.gz LIQSOSJNYIEVKL-BBWFWOEESA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001173059868 1384904367 /nfs/dbraw/zinc/90/43/67/1384904367.db2.gz LIQSOSJNYIEVKL-BBWFWOEESA-N 2 2 339.524 3.094 20 0 EGADLP CC[NH+](CC)C1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173113975 1384917906 /nfs/dbraw/zinc/91/79/06/1384917906.db2.gz QKHSLVGRXKZPEL-UHFFFAOYSA-N 3 2 330.520 3.293 20 0 EGADLP c1coc(C[N@H+]2C[C@H]3C[C@H](C[NH+]([C@H]4CCc5ncsc5C4)C3)C2)c1 ZINC001173138935 1384922436 /nfs/dbraw/zinc/92/24/36/1384922436.db2.gz QHBXIGANGTZDCG-XHSDSOJGSA-N 2 2 343.496 3.047 20 0 EGADLP c1coc(C[N@@H+]2C[C@H]3C[C@H](C[NH+]([C@H]4CCc5ncsc5C4)C3)C2)c1 ZINC001173138935 1384922438 /nfs/dbraw/zinc/92/24/38/1384922438.db2.gz QHBXIGANGTZDCG-XHSDSOJGSA-N 2 2 343.496 3.047 20 0 EGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+]([C@H]2CCc4ncsc4C2)C3)c1 ZINC001173138935 1384922446 /nfs/dbraw/zinc/92/24/46/1384922446.db2.gz QHBXIGANGTZDCG-XHSDSOJGSA-N 2 2 343.496 3.047 20 0 EGADLP c1coc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+]([C@H]2CCc4ncsc4C2)C3)c1 ZINC001173138935 1384922450 /nfs/dbraw/zinc/92/24/50/1384922450.db2.gz QHBXIGANGTZDCG-XHSDSOJGSA-N 2 2 343.496 3.047 20 0 EGADLP CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC001173260868 1384946487 /nfs/dbraw/zinc/94/64/87/1384946487.db2.gz OUPSQEDTUSUOJS-MJGOQNOKSA-N 2 2 332.488 3.066 20 0 EGADLP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001173280153 1384950248 /nfs/dbraw/zinc/95/02/48/1384950248.db2.gz SVRQLOXQMVYGAR-QZTJIDSGSA-N 2 2 329.488 3.332 20 0 EGADLP C[C@@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001173539760 1384980728 /nfs/dbraw/zinc/98/07/28/1384980728.db2.gz RPBAKXGLBCSDOI-LBPRGKRZSA-N 2 2 343.302 3.086 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([NH2+][C@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001173616029 1384988459 /nfs/dbraw/zinc/98/84/59/1384988459.db2.gz IULZZQKYKCULHG-BOHSKOPMSA-N 2 2 336.520 3.208 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001173624863 1384991366 /nfs/dbraw/zinc/99/13/66/1384991366.db2.gz YMKOCOKACUTVSC-URSIVYNOSA-N 2 2 331.460 3.032 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633301 1384992719 /nfs/dbraw/zinc/99/27/19/1384992719.db2.gz PKUKLMZYBXTYDI-TVFCKZIOSA-N 2 2 345.487 3.280 20 0 EGADLP CC(=O)Oc1ccc(C2CCC([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC001173780533 1385016167 /nfs/dbraw/zinc/01/61/67/1385016167.db2.gz OEHJWCDGPNYARZ-UHFFFAOYSA-N 2 2 327.428 3.124 20 0 EGADLP Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CCn2cc[nH+]c2)cs1 ZINC001174581454 1385122254 /nfs/dbraw/zinc/12/22/54/1385122254.db2.gz SVJOJWWDYPHSJE-OAHLLOKOSA-N 2 2 348.516 3.108 20 0 EGADLP CCC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317540002 1385275515 /nfs/dbraw/zinc/27/55/15/1385275515.db2.gz AKXOFVOHKKESGN-KRWDZBQOSA-N 2 2 348.535 3.100 20 0 EGADLP CCC[N@@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317540002 1385275519 /nfs/dbraw/zinc/27/55/19/1385275519.db2.gz AKXOFVOHKKESGN-KRWDZBQOSA-N 2 2 348.535 3.100 20 0 EGADLP Cc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC001175857182 1385423193 /nfs/dbraw/zinc/42/31/93/1385423193.db2.gz CVRNWGUIEXXKMS-UHFFFAOYSA-N 2 2 349.438 3.152 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCCC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175881132 1385428434 /nfs/dbraw/zinc/42/84/34/1385428434.db2.gz KDWCYWAEFSIKMY-QGZVFWFLSA-N 2 2 342.487 3.034 20 0 EGADLP CC[C@@H]([NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1 ZINC001175881860 1385428791 /nfs/dbraw/zinc/42/87/91/1385428791.db2.gz YQDZQXIRSBHHNX-SJLPKXTDSA-N 2 2 342.487 3.368 20 0 EGADLP CC(C)[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993716 1385455548 /nfs/dbraw/zinc/45/55/48/1385455548.db2.gz WJIAMBVXPRPCCX-MRXNPFEDSA-N 2 2 328.460 3.159 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176351457 1385560113 /nfs/dbraw/zinc/56/01/13/1385560113.db2.gz UILQDRYYQVXJAN-HNNXBMFYSA-N 2 2 334.508 3.106 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001698615970 1406248941 /nfs/dbraw/zinc/24/89/41/1406248941.db2.gz ILCJYANKBKSLMO-SJORKVTESA-N 2 2 346.450 3.035 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H]([NH2+]C/C=C\Cl)CC3)ccn12 ZINC001318953802 1385894663 /nfs/dbraw/zinc/89/46/63/1385894663.db2.gz UYEJKOCAHBFUEO-XGSVPXQYSA-N 2 2 346.862 3.026 20 0 EGADLP CCCCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492460 1385978045 /nfs/dbraw/zinc/97/80/45/1385978045.db2.gz IMNDJUQAUONVPA-UHFFFAOYSA-N 2 2 348.535 3.462 20 0 EGADLP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001177493394 1385978853 /nfs/dbraw/zinc/97/88/53/1385978853.db2.gz WEKSEASXRJXDPB-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP CC[C@H](C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1)OC ZINC001319363427 1386081098 /nfs/dbraw/zinc/08/10/98/1386081098.db2.gz BBCUUJPIDXCUNX-QGZVFWFLSA-N 2 2 347.503 3.064 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCC1CCCC1 ZINC001178349575 1386194245 /nfs/dbraw/zinc/19/42/45/1386194245.db2.gz FRPFIAOHSOVZGB-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001178852042 1386328686 /nfs/dbraw/zinc/32/86/86/1386328686.db2.gz KFEHOJIKWHUIFF-WHLIDYPQSA-N 2 2 346.519 3.068 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178853444 1386329909 /nfs/dbraw/zinc/32/99/09/1386329909.db2.gz KAHHVMQGPDVZGN-GOSISDBHSA-N 2 2 348.535 3.292 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCCCC[NH2+]CCC(C)C)C2 ZINC001178880974 1386337525 /nfs/dbraw/zinc/33/75/25/1386337525.db2.gz RKGRTGZVFZDDBP-QGZVFWFLSA-N 2 2 348.535 3.135 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCCCC[NH2+]CCC(C)C)CC2 ZINC001178880974 1386337531 /nfs/dbraw/zinc/33/75/31/1386337531.db2.gz RKGRTGZVFZDDBP-QGZVFWFLSA-N 2 2 348.535 3.135 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179097947 1386400109 /nfs/dbraw/zinc/40/01/09/1386400109.db2.gz VPDOKWKEBQJSEB-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP CC(C)C[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157643 1386413429 /nfs/dbraw/zinc/41/34/29/1386413429.db2.gz NYYMXDBHZKDQKU-UHFFFAOYSA-N 2 2 342.487 3.408 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001180158749 1386716699 /nfs/dbraw/zinc/71/66/99/1386716699.db2.gz QKTATMJLYMXNTR-UHFFFAOYSA-N 2 2 346.519 3.417 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c(C)o1 ZINC001321282511 1386866080 /nfs/dbraw/zinc/86/60/80/1386866080.db2.gz JXVKNLUFCLICSH-KRWDZBQOSA-N 2 2 341.499 3.495 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001321643479 1386947540 /nfs/dbraw/zinc/94/75/40/1386947540.db2.gz VGLFZVOSDQLVGH-UHFFFAOYSA-N 2 2 336.549 3.360 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001321643479 1386947543 /nfs/dbraw/zinc/94/75/43/1386947543.db2.gz VGLFZVOSDQLVGH-UHFFFAOYSA-N 2 2 336.549 3.360 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001322298519 1387148220 /nfs/dbraw/zinc/14/82/20/1387148220.db2.gz LXCQJFJPSLZZQZ-UONOGXRCSA-N 2 2 348.878 3.043 20 0 EGADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001322298519 1387148223 /nfs/dbraw/zinc/14/82/23/1387148223.db2.gz LXCQJFJPSLZZQZ-UONOGXRCSA-N 2 2 348.878 3.043 20 0 EGADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CC1CCC(C)(C)CC1 ZINC001329504267 1389136129 /nfs/dbraw/zinc/13/61/29/1389136129.db2.gz ZMUWHVRDEBTFLR-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001329504267 1389136130 /nfs/dbraw/zinc/13/61/30/1389136130.db2.gz ZMUWHVRDEBTFLR-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccccc1C)[NH+]1CCOCC1 ZINC001330027974 1389288199 /nfs/dbraw/zinc/28/81/99/1389288199.db2.gz SOFPFMWRAAWZEP-GOSISDBHSA-N 2 2 332.492 3.068 20 0 EGADLP CCOc1cncc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001331343956 1389710891 /nfs/dbraw/zinc/71/08/91/1389710891.db2.gz LPJSTZNENWMZNY-QGZVFWFLSA-N 2 2 326.444 3.260 20 0 EGADLP CCOc1cncc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001331343956 1389710894 /nfs/dbraw/zinc/71/08/94/1389710894.db2.gz LPJSTZNENWMZNY-QGZVFWFLSA-N 2 2 326.444 3.260 20 0 EGADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001331520914 1389781838 /nfs/dbraw/zinc/78/18/38/1389781838.db2.gz WPXGEUAWHPFXCO-GJZGRUSLSA-N 2 2 348.878 3.124 20 0 EGADLP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCc3scnc32)CC1 ZINC001331532418 1389786340 /nfs/dbraw/zinc/78/63/40/1389786340.db2.gz HEXFEKYJKSVYED-INIZCTEOSA-N 2 2 342.512 3.062 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001331761704 1389868065 /nfs/dbraw/zinc/86/80/65/1389868065.db2.gz HBPDLKVQNAVUPR-AAEUAGOBSA-N 2 2 349.828 3.365 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001331761704 1389868075 /nfs/dbraw/zinc/86/80/75/1389868075.db2.gz HBPDLKVQNAVUPR-AAEUAGOBSA-N 2 2 349.828 3.365 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CO2 ZINC001333161303 1390258262 /nfs/dbraw/zinc/25/82/62/1390258262.db2.gz MJPABGMGHDTBGK-UYAOXDASSA-N 2 2 349.434 3.226 20 0 EGADLP Cn1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961803 1391725440 /nfs/dbraw/zinc/72/54/40/1391725440.db2.gz TYMVAEFKTCCOES-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961803 1391725446 /nfs/dbraw/zinc/72/54/46/1391725446.db2.gz TYMVAEFKTCCOES-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961803 1391725448 /nfs/dbraw/zinc/72/54/48/1391725448.db2.gz TYMVAEFKTCCOES-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961803 1391725452 /nfs/dbraw/zinc/72/54/52/1391725452.db2.gz TYMVAEFKTCCOES-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCC(C)CC3)ccn12 ZINC001354888424 1392175488 /nfs/dbraw/zinc/17/54/88/1392175488.db2.gz FMUDGARFRULCHT-GOSISDBHSA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001698853199 1406556930 /nfs/dbraw/zinc/55/69/30/1406556930.db2.gz VKQAYKOWIAKCJO-CJNGLKHVSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374729 1392717522 /nfs/dbraw/zinc/71/75/22/1392717522.db2.gz WPDHQKCWQQTNMJ-RBUKOAKNSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001480374729 1392717525 /nfs/dbraw/zinc/71/75/25/1392717525.db2.gz WPDHQKCWQQTNMJ-RBUKOAKNSA-N 2 2 346.519 3.165 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387667 1392733064 /nfs/dbraw/zinc/73/30/64/1392733064.db2.gz SMRCINVDWJXNOD-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387667 1392733065 /nfs/dbraw/zinc/73/30/65/1392733065.db2.gz SMRCINVDWJXNOD-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001698871526 1406591404 /nfs/dbraw/zinc/59/14/04/1406591404.db2.gz NSXFNYNPVKNSFE-GOSISDBHSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@H]([NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1)c1ccccc1 ZINC001490687684 1394295735 /nfs/dbraw/zinc/29/57/35/1394295735.db2.gz TWHJFDXHFAPAEK-MAUKXSAKSA-N 2 2 348.450 3.194 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514960 1394363098 /nfs/dbraw/zinc/36/30/98/1394363098.db2.gz VRRDPHGJAPZXGQ-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514960 1394363104 /nfs/dbraw/zinc/36/31/04/1394363104.db2.gz VRRDPHGJAPZXGQ-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514960 1394363109 /nfs/dbraw/zinc/36/31/09/1394363109.db2.gz VRRDPHGJAPZXGQ-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514960 1394363112 /nfs/dbraw/zinc/36/31/12/1394363112.db2.gz VRRDPHGJAPZXGQ-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001491126328 1394442890 /nfs/dbraw/zinc/44/28/90/1394442890.db2.gz NCMJEDRXNACDPB-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001491126328 1394442891 /nfs/dbraw/zinc/44/28/91/1394442891.db2.gz NCMJEDRXNACDPB-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C/C=C/Cl ZINC001485433867 1395901198 /nfs/dbraw/zinc/90/11/98/1395901198.db2.gz CVTQJLZUCRFLMX-FUVBFXSKSA-N 2 2 348.878 3.163 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001687481627 1396389793 /nfs/dbraw/zinc/38/97/93/1396389793.db2.gz OUMSPGQNTLNOEU-HXUWFJFHSA-N 2 2 348.450 3.472 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1)n1cc[nH+]c1 ZINC001495948803 1396574691 /nfs/dbraw/zinc/57/46/91/1396574691.db2.gz KSUXVUQKICQDDZ-QGZVFWFLSA-N 2 2 346.519 3.433 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496091255 1396599962 /nfs/dbraw/zinc/59/99/62/1396599962.db2.gz ACVDLBPRVLBEQK-HUUCEWRRSA-N 2 2 336.439 3.374 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001496349502 1396660010 /nfs/dbraw/zinc/66/00/10/1396660010.db2.gz CRXFRQPVHZNXQG-WMLDXEAASA-N 2 2 342.487 3.439 20 0 EGADLP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001690163277 1404361629 /nfs/dbraw/zinc/36/16/29/1404361629.db2.gz ZOTTWKVXGZIPEM-BEFAXECRSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H]1CCCc2ccccc21 ZINC001690591333 1404642709 /nfs/dbraw/zinc/64/27/09/1404642709.db2.gz LNBZVWRTPLRBKX-KUHUBIRLSA-N 2 2 348.450 3.348 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001690591332 1404642813 /nfs/dbraw/zinc/64/28/13/1404642813.db2.gz LNBZVWRTPLRBKX-IFXJQAMLSA-N 2 2 348.450 3.348 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732051642 1428292137 /nfs/dbraw/zinc/29/21/37/1428292137.db2.gz YNXYZNOHQZNTCM-INIZCTEOSA-N 2 2 342.487 3.441 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732051642 1428292139 /nfs/dbraw/zinc/29/21/39/1428292139.db2.gz YNXYZNOHQZNTCM-INIZCTEOSA-N 2 2 342.487 3.441 20 0 EGADLP CC[C@H]([NH2+]CCN(CC)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001699209827 1412575769 /nfs/dbraw/zinc/57/57/69/1412575769.db2.gz LNQPALFYHHIWQJ-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001700355571 1413855017 /nfs/dbraw/zinc/85/50/17/1413855017.db2.gz KCELBZPFPANALO-KRWDZBQOSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001700355571 1413855020 /nfs/dbraw/zinc/85/50/20/1413855020.db2.gz KCELBZPFPANALO-KRWDZBQOSA-N 2 2 348.535 3.102 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)C/C=C\c1ccccc1 ZINC001700467259 1414077727 /nfs/dbraw/zinc/07/77/27/1414077727.db2.gz RIPFTCCAULMMKP-HWYHOQROSA-N 2 2 348.450 3.326 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)C/C=C\c1ccccc1 ZINC001700467259 1414077732 /nfs/dbraw/zinc/07/77/32/1414077732.db2.gz RIPFTCCAULMMKP-HWYHOQROSA-N 2 2 348.450 3.326 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@H](C[NH2+]CC2CC(C)C2)C2CC2)c(C)[nH+]1 ZINC001700725768 1414387220 /nfs/dbraw/zinc/38/72/20/1414387220.db2.gz FGCYESHWOFNCJA-GFEPPQMASA-N 2 2 343.515 3.493 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713278695 1417902375 /nfs/dbraw/zinc/90/23/75/1417902375.db2.gz HGHMALNMZNXVIG-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713278695 1417902379 /nfs/dbraw/zinc/90/23/79/1417902379.db2.gz HGHMALNMZNXVIG-MAUKXSAKSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713643091 1418409037 /nfs/dbraw/zinc/40/90/37/1418409037.db2.gz CNHNKXVAJABGRF-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713643091 1418409042 /nfs/dbraw/zinc/40/90/42/1418409042.db2.gz CNHNKXVAJABGRF-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001713758647 1418565159 /nfs/dbraw/zinc/56/51/59/1418565159.db2.gz FMGRIEZGIQXZNG-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCCC2)C1 ZINC001713758647 1418565163 /nfs/dbraw/zinc/56/51/63/1418565163.db2.gz FMGRIEZGIQXZNG-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001714286072 1419065323 /nfs/dbraw/zinc/06/53/23/1419065323.db2.gz IFQALZZRCXONCH-LSDHHAIUSA-N 2 2 342.487 3.105 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001715343868 1420046257 /nfs/dbraw/zinc/04/62/57/1420046257.db2.gz ZFXJQHSDRHOVDR-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001715343868 1420046261 /nfs/dbraw/zinc/04/62/61/1420046261.db2.gz ZFXJQHSDRHOVDR-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001715533061 1420224344 /nfs/dbraw/zinc/22/43/44/1420224344.db2.gz QLLXUTBIANSXDN-VQIMIIECSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001715533061 1420224346 /nfs/dbraw/zinc/22/43/46/1420224346.db2.gz QLLXUTBIANSXDN-VQIMIIECSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001715533061 1420224348 /nfs/dbraw/zinc/22/43/48/1420224348.db2.gz QLLXUTBIANSXDN-VQIMIIECSA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001715533061 1420224349 /nfs/dbraw/zinc/22/43/49/1420224349.db2.gz QLLXUTBIANSXDN-VQIMIIECSA-N 2 2 342.487 3.130 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001715687825 1420294966 /nfs/dbraw/zinc/29/49/66/1420294966.db2.gz SGIMYSLNQLWUMM-HOTGVXAUSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487655 1420706921 /nfs/dbraw/zinc/70/69/21/1420706921.db2.gz UYGCHKCHECXPKX-HOTGVXAUSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487655 1420706923 /nfs/dbraw/zinc/70/69/23/1420706923.db2.gz UYGCHKCHECXPKX-HOTGVXAUSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C/C=C\Cl ZINC001717513891 1421450760 /nfs/dbraw/zinc/45/07/60/1421450760.db2.gz DRQYNEPAMLNOAT-IJVDHGTGSA-N 2 2 348.878 3.392 20 0 EGADLP CC(C)C[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001717964060 1421735444 /nfs/dbraw/zinc/73/54/44/1421735444.db2.gz PJECKVXLCNHFNB-GOSISDBHSA-N 2 2 342.487 3.262 20 0 EGADLP CC[C@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1)c1ccccc1 ZINC001717992400 1421761594 /nfs/dbraw/zinc/76/15/94/1421761594.db2.gz DHANINPEPYOZEH-ACBHZAAOSA-N 2 2 340.471 3.073 20 0 EGADLP CC[C@H]([NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001717992400 1421761595 /nfs/dbraw/zinc/76/15/95/1421761595.db2.gz DHANINPEPYOZEH-ACBHZAAOSA-N 2 2 340.471 3.073 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001733361536 1429546070 /nfs/dbraw/zinc/54/60/70/1429546070.db2.gz ZXXMAVWCYNWGGG-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP CC1CC(C[N@H+](CCNC(=O)Cc2c[nH]c[nH+]2)C2CCCCCC2)C1 ZINC001723640748 1424507859 /nfs/dbraw/zinc/50/78/59/1424507859.db2.gz KCOXZJMVOAZWRW-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP CC1CC(C[N@@H+](CCNC(=O)Cc2c[nH]c[nH+]2)C2CCCCCC2)C1 ZINC001723640748 1424507864 /nfs/dbraw/zinc/50/78/64/1424507864.db2.gz KCOXZJMVOAZWRW-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001723874752 1424594125 /nfs/dbraw/zinc/59/41/25/1424594125.db2.gz JPERPEGIXSVBNQ-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001724933036 1425318999 /nfs/dbraw/zinc/31/89/99/1425318999.db2.gz GKJADJWNEKYJQR-RISCZKNCSA-N 2 2 343.393 3.009 20 0 EGADLP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001725136685 1425611782 /nfs/dbraw/zinc/61/17/82/1425611782.db2.gz KFNYFNLQQNADGN-UHFFFAOYSA-N 2 2 348.535 3.148 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725479938 1426155136 /nfs/dbraw/zinc/15/51/36/1426155136.db2.gz HYJFSWVVYRAJLP-CQSZACIVSA-N 2 2 330.476 3.129 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCCC1CCC1 ZINC001725626679 1426293409 /nfs/dbraw/zinc/29/34/09/1426293409.db2.gz PWXPFBJDCZHQDL-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCCC1CCC1 ZINC001725626679 1426293411 /nfs/dbraw/zinc/29/34/11/1426293411.db2.gz PWXPFBJDCZHQDL-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001731727735 1427802137 /nfs/dbraw/zinc/80/21/37/1427802137.db2.gz XIWLWAQQGDQHHR-JKSUJKDBSA-N 2 2 344.503 3.423 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001734328482 1438052940 /nfs/dbraw/zinc/05/29/40/1438052940.db2.gz MZECGYLOHVTNAH-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001734328482 1438052941 /nfs/dbraw/zinc/05/29/41/1438052941.db2.gz MZECGYLOHVTNAH-KDOFPFPSSA-N 2 2 346.450 3.069 20 0 EGADLP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC001753213407 1440339538 /nfs/dbraw/zinc/33/95/38/1440339538.db2.gz QFXKHLLVOIJNBV-UHFFFAOYSA-N 2 2 348.450 3.074 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001753368280 1440386586 /nfs/dbraw/zinc/38/65/86/1440386586.db2.gz JPWGFOUNBPLBGR-WIJVFFIESA-N 2 2 332.492 3.161 20 0 EGADLP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753704430 1440469158 /nfs/dbraw/zinc/46/91/58/1440469158.db2.gz CBPOZDFTIWFMQH-RTRPANQVSA-N 2 2 340.471 3.279 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001753781837 1440487336 /nfs/dbraw/zinc/48/73/36/1440487336.db2.gz TTXUYWKWHCVWIP-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CC(C)(C)CCC[NH2+]C/C=C/CNC(=O)c1cccc2[nH+]ccn21 ZINC001754149117 1440544882 /nfs/dbraw/zinc/54/48/82/1440544882.db2.gz VDEGRMSUSBWZQM-SNAWJCMRSA-N 2 2 328.460 3.036 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+][C@H]2CCc3ccccc32)c(C)[nH+]1 ZINC001754283407 1440563570 /nfs/dbraw/zinc/56/35/70/1440563570.db2.gz MYSTUYZODZIQEA-KXBFYZLASA-N 2 2 337.467 3.402 20 0 EGADLP CC[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001754468523 1440604856 /nfs/dbraw/zinc/60/48/56/1440604856.db2.gz OTONUKDCPWQRER-RBUKOAKNSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CC2CCCCCC2)C1 ZINC001754685525 1440664786 /nfs/dbraw/zinc/66/47/86/1440664786.db2.gz MKLHATHNSUBELK-FQEVSTJZSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001754685525 1440664787 /nfs/dbraw/zinc/66/47/87/1440664787.db2.gz MKLHATHNSUBELK-FQEVSTJZSA-N 2 2 346.519 3.214 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001754798120 1440689831 /nfs/dbraw/zinc/68/98/31/1440689831.db2.gz WRNNGTWNXBJUKQ-SJLPKXTDSA-N 2 2 331.504 3.493 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001754874360 1440706178 /nfs/dbraw/zinc/70/61/78/1440706178.db2.gz UNIHWNIYQPTSKU-IPMKNSEASA-N 2 2 346.519 3.049 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001754874360 1440706179 /nfs/dbraw/zinc/70/61/79/1440706179.db2.gz UNIHWNIYQPTSKU-IPMKNSEASA-N 2 2 346.519 3.049 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](CC[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001754923284 1440709613 /nfs/dbraw/zinc/70/96/13/1440709613.db2.gz LSDJJGLQVKDJNI-OUOZUETKSA-N 2 2 335.879 3.201 20 0 EGADLP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001755070343 1440746321 /nfs/dbraw/zinc/74/63/21/1440746321.db2.gz BKJYCLYTXUMJTH-SREVYHEPSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001755135405 1440758051 /nfs/dbraw/zinc/75/80/51/1440758051.db2.gz OETISFXDFUJEGG-QGZVFWFLSA-N 2 2 348.535 3.006 20 0 EGADLP CC[N@H+](C[C@@H](C)CC(C)C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755185184 1440772876 /nfs/dbraw/zinc/77/28/76/1440772876.db2.gz XIQVRHZOHNQHJF-SFHVURJKSA-N 2 2 348.535 3.126 20 0 EGADLP CC[N@@H+](C[C@@H](C)CC(C)C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755185184 1440772877 /nfs/dbraw/zinc/77/28/77/1440772877.db2.gz XIQVRHZOHNQHJF-SFHVURJKSA-N 2 2 348.535 3.126 20 0 EGADLP CCCCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001755411868 1440846854 /nfs/dbraw/zinc/84/68/54/1440846854.db2.gz HUMGNFMPCQNDSI-KRWDZBQOSA-N 2 2 328.460 3.193 20 0 EGADLP CCCCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001755411868 1440846855 /nfs/dbraw/zinc/84/68/55/1440846855.db2.gz HUMGNFMPCQNDSI-KRWDZBQOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755535589 1440869191 /nfs/dbraw/zinc/86/91/91/1440869191.db2.gz MTRVQZSUVJEAGA-INIZCTEOSA-N 2 2 348.535 3.292 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755535589 1440869192 /nfs/dbraw/zinc/86/91/92/1440869192.db2.gz MTRVQZSUVJEAGA-INIZCTEOSA-N 2 2 348.535 3.292 20 0 EGADLP C[C@@H](CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)n1cc[nH+]c1 ZINC001755833980 1440929561 /nfs/dbraw/zinc/92/95/61/1440929561.db2.gz TWBPHGUDIBYKEQ-WMZOPIPTSA-N 2 2 346.519 3.455 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001755862524 1440937064 /nfs/dbraw/zinc/93/70/64/1440937064.db2.gz NCSVJJWPMGZCJW-LSJNQWAISA-N 2 2 344.503 3.058 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001755862524 1440937065 /nfs/dbraw/zinc/93/70/65/1440937065.db2.gz NCSVJJWPMGZCJW-LSJNQWAISA-N 2 2 344.503 3.058 20 0 EGADLP CCc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001164630094 719099914 /nfs/dbraw/zinc/09/99/14/719099914.db2.gz VDRVDFYICSWXEV-OALUTQOASA-N 2 2 336.483 3.448 20 0 EGADLP CCc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001164630094 719099919 /nfs/dbraw/zinc/09/99/19/719099919.db2.gz VDRVDFYICSWXEV-OALUTQOASA-N 2 2 336.483 3.448 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2c1C ZINC001165046335 721971189 /nfs/dbraw/zinc/97/11/89/721971189.db2.gz DXPLXPMGPNGUSH-MRXNPFEDSA-N 2 2 327.476 3.420 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000174155397 231134531 /nfs/dbraw/zinc/13/45/31/231134531.db2.gz RWEQOPNGIXDEKL-AWEZNQCLSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000174155397 231134536 /nfs/dbraw/zinc/13/45/36/231134536.db2.gz RWEQOPNGIXDEKL-AWEZNQCLSA-N 2 2 340.427 3.454 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000181100177 529898841 /nfs/dbraw/zinc/89/88/41/529898841.db2.gz PDCYCPXSRMEAIQ-QGZVFWFLSA-N 2 2 348.516 3.170 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000181100177 529898842 /nfs/dbraw/zinc/89/88/42/529898842.db2.gz PDCYCPXSRMEAIQ-QGZVFWFLSA-N 2 2 348.516 3.170 20 0 EGADLP C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068333364 215299675 /nfs/dbraw/zinc/29/96/75/215299675.db2.gz KEWHLCYMMLOHSZ-UHFFFAOYSA-N 2 2 349.438 3.093 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000181594223 234245333 /nfs/dbraw/zinc/24/53/33/234245333.db2.gz RNLAXHUDJKVING-CVEARBPZSA-N 2 2 327.476 3.174 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130590081 223163774 /nfs/dbraw/zinc/16/37/74/223163774.db2.gz VFXLZOBYFYJFBG-INIZCTEOSA-N 2 2 339.439 3.253 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000072809314 216309951 /nfs/dbraw/zinc/30/99/51/216309951.db2.gz GWFXGEALBHTDEF-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000072809314 216309953 /nfs/dbraw/zinc/30/99/53/216309953.db2.gz GWFXGEALBHTDEF-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749008 549326175 /nfs/dbraw/zinc/32/61/75/549326175.db2.gz GEGQPWVBFLYLJV-HXUWFJFHSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000677749008 549326178 /nfs/dbraw/zinc/32/61/78/549326178.db2.gz GEGQPWVBFLYLJV-HXUWFJFHSA-N 3 2 329.532 3.361 20 0 EGADLP c1ccc2[nH+]c(CCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)[nH]c2c1 ZINC000193996938 240393095 /nfs/dbraw/zinc/39/30/95/240393095.db2.gz SEGLAUHYNZPLEY-MDASCCDHSA-N 2 2 325.456 3.433 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000132811736 223364506 /nfs/dbraw/zinc/36/45/06/223364506.db2.gz HAYNDTPRTBAGTR-UHFFFAOYSA-N 2 2 332.835 3.121 20 0 EGADLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231668868 242269463 /nfs/dbraw/zinc/26/94/63/242269463.db2.gz STDDPQCLTOBBJM-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231668868 242269467 /nfs/dbraw/zinc/26/94/67/242269467.db2.gz STDDPQCLTOBBJM-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000020967854 212192696 /nfs/dbraw/zinc/19/26/96/212192696.db2.gz IFFHZODMQNSCLN-UHFFFAOYSA-N 2 2 329.282 3.279 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246021386 243182609 /nfs/dbraw/zinc/18/26/09/243182609.db2.gz VLFKZDZKEDDZQJ-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246021386 243182612 /nfs/dbraw/zinc/18/26/12/243182612.db2.gz VLFKZDZKEDDZQJ-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP O=C(NC1CC[NH2+]CC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262522414 245015250 /nfs/dbraw/zinc/01/52/50/245015250.db2.gz YFXOKRALNWVWBP-UHFFFAOYSA-N 2 2 331.803 3.009 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C2 ZINC000110820491 220068172 /nfs/dbraw/zinc/06/81/72/220068172.db2.gz XWMHOBAVJALBRZ-MRXNPFEDSA-N 2 2 334.261 3.183 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000111234040 220119636 /nfs/dbraw/zinc/11/96/36/220119636.db2.gz LWZPGHDKAXXWLS-LBPRGKRZSA-N 2 2 325.416 3.449 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc(=O)oc2c1C ZINC000111244032 220121954 /nfs/dbraw/zinc/12/19/54/220121954.db2.gz LHYMCZOWXJABEO-UHFFFAOYSA-N 2 2 337.423 3.443 20 0 EGADLP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261788903 296224529 /nfs/dbraw/zinc/22/45/29/296224529.db2.gz XRDOOMPDMICZBZ-GXTWGEPZSA-N 2 2 328.287 3.034 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC000264936370 247061120 /nfs/dbraw/zinc/06/11/20/247061120.db2.gz DAAVAPQOJXFNDY-OAHLLOKOSA-N 2 2 342.468 3.405 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[NH+](C)C ZINC000265098461 247199753 /nfs/dbraw/zinc/19/97/53/247199753.db2.gz GJQJNTXAMFQDOR-LBPRGKRZSA-N 2 2 333.819 3.207 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000265049850 247161578 /nfs/dbraw/zinc/16/15/78/247161578.db2.gz LJYIDTDEVQWPTD-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC000265049850 247161583 /nfs/dbraw/zinc/16/15/83/247161583.db2.gz LJYIDTDEVQWPTD-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000265049850 247161586 /nfs/dbraw/zinc/16/15/86/247161586.db2.gz LJYIDTDEVQWPTD-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000265049850 247161589 /nfs/dbraw/zinc/16/15/89/247161589.db2.gz LJYIDTDEVQWPTD-UWVAXJGDSA-N 2 2 334.479 3.446 20 0 EGADLP O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000376389540 168899050 /nfs/dbraw/zinc/89/90/50/168899050.db2.gz XJGVIMIAFTZMIX-CQSZACIVSA-N 2 2 345.830 3.399 20 0 EGADLP Cc1nc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc[nH+]1 ZINC000266089656 248089752 /nfs/dbraw/zinc/08/97/52/248089752.db2.gz DMORFBWUSZGCPJ-HUUCEWRRSA-N 2 2 326.444 3.006 20 0 EGADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)oc1C ZINC000266434275 248299293 /nfs/dbraw/zinc/29/92/93/248299293.db2.gz UTUWUWGPDVZLLP-UHFFFAOYSA-N 2 2 328.441 3.223 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000377348540 169013532 /nfs/dbraw/zinc/01/35/32/169013532.db2.gz VNVQSWVDGKFULL-OXQOHEQNSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000377348540 169013533 /nfs/dbraw/zinc/01/35/33/169013533.db2.gz VNVQSWVDGKFULL-OXQOHEQNSA-N 2 2 349.482 3.029 20 0 EGADLP CC(C)CCn1cccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377632530 169051641 /nfs/dbraw/zinc/05/16/41/169051641.db2.gz STLYRURXWJETMT-HXUWFJFHSA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377632530 169051642 /nfs/dbraw/zinc/05/16/42/169051642.db2.gz STLYRURXWJETMT-HXUWFJFHSA-N 2 2 346.563 3.135 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166010 169079016 /nfs/dbraw/zinc/07/90/16/169079016.db2.gz NEHFTTUYXBUHBK-MELADBBJSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1OC(F)(F)F ZINC000378166010 169079018 /nfs/dbraw/zinc/07/90/18/169079018.db2.gz NEHFTTUYXBUHBK-MELADBBJSA-N 2 2 344.377 3.099 20 0 EGADLP Fc1ccc2nc([C@@H]3CCC[N@H+](CCCn4cc[nH+]c4)C3)oc2c1 ZINC000378440609 169120659 /nfs/dbraw/zinc/12/06/59/169120659.db2.gz CODQBXCRZJKZJN-CQSZACIVSA-N 2 2 328.391 3.433 20 0 EGADLP Fc1ccc2nc([C@@H]3CCC[N@@H+](CCCn4cc[nH+]c4)C3)oc2c1 ZINC000378440609 169120661 /nfs/dbraw/zinc/12/06/61/169120661.db2.gz CODQBXCRZJKZJN-CQSZACIVSA-N 2 2 328.391 3.433 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(C4CCCC4)s3)CC2)C1 ZINC000378351560 169106236 /nfs/dbraw/zinc/10/62/36/169106236.db2.gz AHKRGBPZONIYBJ-KRWDZBQOSA-N 2 2 348.560 3.013 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)c(F)c1 ZINC000378518971 169135146 /nfs/dbraw/zinc/13/51/46/169135146.db2.gz MMRZGQWFDNPEFV-PBHICJAKSA-N 2 2 335.398 3.324 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)c1ccc(F)c(F)c1 ZINC000378518977 169135413 /nfs/dbraw/zinc/13/54/13/169135413.db2.gz MMRZGQWFDNPEFV-WMLDXEAASA-N 2 2 335.398 3.324 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3cnccn23)CC[N@@H+]1Cc1ccccc1 ZINC000093318124 218214598 /nfs/dbraw/zinc/21/45/98/218214598.db2.gz JPALCXCIEPTFQN-MJGOQNOKSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3cnccn23)CC[N@H+]1Cc1ccccc1 ZINC000093318124 218214600 /nfs/dbraw/zinc/21/46/00/218214600.db2.gz JPALCXCIEPTFQN-MJGOQNOKSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318124 218214602 /nfs/dbraw/zinc/21/46/02/218214602.db2.gz JPALCXCIEPTFQN-MJGOQNOKSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318124 218214604 /nfs/dbraw/zinc/21/46/04/218214604.db2.gz JPALCXCIEPTFQN-MJGOQNOKSA-N 2 2 349.482 3.214 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1OC(F)F ZINC000093770077 218248572 /nfs/dbraw/zinc/24/85/72/218248572.db2.gz KPNDJVQTARJWFD-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1OC(F)F ZINC000093770077 218248574 /nfs/dbraw/zinc/24/85/74/218248574.db2.gz KPNDJVQTARJWFD-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1OC(F)F ZINC000093770077 218248577 /nfs/dbraw/zinc/24/85/77/218248577.db2.gz KPNDJVQTARJWFD-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1OC(F)F ZINC000093770077 218248578 /nfs/dbraw/zinc/24/85/78/218248578.db2.gz KPNDJVQTARJWFD-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770068 218249020 /nfs/dbraw/zinc/24/90/20/218249020.db2.gz WOPGNLFKSNFDRX-CQSZACIVSA-N 2 2 349.910 3.439 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770068 218249022 /nfs/dbraw/zinc/24/90/22/218249022.db2.gz WOPGNLFKSNFDRX-CQSZACIVSA-N 2 2 349.910 3.439 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770068 218249024 /nfs/dbraw/zinc/24/90/24/218249024.db2.gz WOPGNLFKSNFDRX-CQSZACIVSA-N 2 2 349.910 3.439 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000093770068 218249025 /nfs/dbraw/zinc/24/90/25/218249025.db2.gz WOPGNLFKSNFDRX-CQSZACIVSA-N 2 2 349.910 3.439 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)cn1 ZINC000268785749 252236693 /nfs/dbraw/zinc/23/66/93/252236693.db2.gz KAXGWFSKQSSWPD-CQSZACIVSA-N 2 2 334.423 3.457 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268792196 252243083 /nfs/dbraw/zinc/24/30/83/252243083.db2.gz DNBNBRPMOWTJPG-XHDPSFHLSA-N 2 2 325.334 3.447 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815491 252267676 /nfs/dbraw/zinc/26/76/76/252267676.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815491 252267680 /nfs/dbraw/zinc/26/76/80/252267680.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815491 252267683 /nfs/dbraw/zinc/26/76/83/252267683.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815491 252267686 /nfs/dbraw/zinc/26/76/86/252267686.db2.gz MDVSGSIKKKMMGU-RLLQIKCJSA-N 3 2 327.516 3.113 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OC(F)F ZINC000268834263 252283204 /nfs/dbraw/zinc/28/32/04/252283204.db2.gz RWQSGVUJKBESJL-SLEUVZQESA-N 2 2 340.414 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OC(F)F ZINC000268834263 252283207 /nfs/dbraw/zinc/28/32/07/252283207.db2.gz RWQSGVUJKBESJL-SLEUVZQESA-N 2 2 340.414 3.430 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000268834098 252283301 /nfs/dbraw/zinc/28/33/01/252283301.db2.gz LHRIZRYBFAUSAW-INIZCTEOSA-N 2 2 340.920 3.313 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)ccc1OC(F)F ZINC000268834262 252283613 /nfs/dbraw/zinc/28/36/13/252283613.db2.gz RWQSGVUJKBESJL-HUBLWGQQSA-N 2 2 340.414 3.430 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OC(F)F ZINC000268834262 252283615 /nfs/dbraw/zinc/28/36/15/252283615.db2.gz RWQSGVUJKBESJL-HUBLWGQQSA-N 2 2 340.414 3.430 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000268844717 252292677 /nfs/dbraw/zinc/29/26/77/252292677.db2.gz OOCPEVPWOIUSNJ-VQIMIIECSA-N 2 2 338.499 3.181 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000268844717 252292680 /nfs/dbraw/zinc/29/26/80/252292680.db2.gz OOCPEVPWOIUSNJ-VQIMIIECSA-N 2 2 338.499 3.181 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611696 285228894 /nfs/dbraw/zinc/22/88/94/285228894.db2.gz RLHRWANUOVKAPQ-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611696 285228895 /nfs/dbraw/zinc/22/88/95/285228895.db2.gz RLHRWANUOVKAPQ-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611696 285228897 /nfs/dbraw/zinc/22/88/97/285228897.db2.gz RLHRWANUOVKAPQ-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC2(OC)CCCC2)[C@H]1c1cnn(C)c1 ZINC000361611696 285228898 /nfs/dbraw/zinc/22/88/98/285228898.db2.gz RLHRWANUOVKAPQ-HKUYNNGSSA-N 2 2 348.535 3.084 20 0 EGADLP C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000118835671 221192892 /nfs/dbraw/zinc/19/28/92/221192892.db2.gz MYYCVUYYINKVNL-SFHVURJKSA-N 2 2 347.466 3.146 20 0 EGADLP O[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1C(F)(F)F ZINC000171941979 227376762 /nfs/dbraw/zinc/37/67/62/227376762.db2.gz KSZBGXDETARGJG-INIZCTEOSA-N 2 2 339.361 3.272 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000178231671 533296469 /nfs/dbraw/zinc/29/64/69/533296469.db2.gz QJRONAJCFIQNJH-OAQYLSRUSA-N 2 2 337.467 3.332 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@@H+]1C1CC1 ZINC000184168880 533646413 /nfs/dbraw/zinc/64/64/13/533646413.db2.gz ZGRMAXCOCCJOQG-CZUORRHYSA-N 2 2 344.434 3.023 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[N@H+]1C1CC1 ZINC000184168880 533646421 /nfs/dbraw/zinc/64/64/21/533646421.db2.gz ZGRMAXCOCCJOQG-CZUORRHYSA-N 2 2 344.434 3.023 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000246733026 141028739 /nfs/dbraw/zinc/02/87/39/141028739.db2.gz GHUFTVVFLXOLIE-HBFSDRIKSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000246733026 141028743 /nfs/dbraw/zinc/02/87/43/141028743.db2.gz GHUFTVVFLXOLIE-HBFSDRIKSA-N 2 2 343.515 3.373 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039971 /nfs/dbraw/zinc/03/99/71/141039971.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 3 2 329.532 3.359 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039972 /nfs/dbraw/zinc/03/99/72/141039972.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039974 /nfs/dbraw/zinc/03/99/74/141039974.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000246864482 141039977 /nfs/dbraw/zinc/03/99/77/141039977.db2.gz CQLVGNNCXHCXGG-MMKMLUHNSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246936438 141044821 /nfs/dbraw/zinc/04/48/21/141044821.db2.gz HJQNEDNGQGISHA-CBGDNZLLSA-N 2 2 339.483 3.218 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246936438 141044822 /nfs/dbraw/zinc/04/48/22/141044822.db2.gz HJQNEDNGQGISHA-CBGDNZLLSA-N 2 2 339.483 3.218 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000246964826 141046897 /nfs/dbraw/zinc/04/68/97/141046897.db2.gz JASYFEVXLWVGBS-YLJYHZDGSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000246964826 141046899 /nfs/dbraw/zinc/04/68/99/141046899.db2.gz JASYFEVXLWVGBS-YLJYHZDGSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246985600 141047430 /nfs/dbraw/zinc/04/74/30/141047430.db2.gz JZNDJAWVIFRHQZ-WWMYMODYSA-N 2 2 339.483 3.135 20 0 EGADLP C[C@H](O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246985600 141047431 /nfs/dbraw/zinc/04/74/31/141047431.db2.gz JZNDJAWVIFRHQZ-WWMYMODYSA-N 2 2 339.483 3.135 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247002369 141048833 /nfs/dbraw/zinc/04/88/33/141048833.db2.gz WZNWCPKNEWKDDX-QKLQHJQFSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247002369 141048834 /nfs/dbraw/zinc/04/88/34/141048834.db2.gz WZNWCPKNEWKDDX-QKLQHJQFSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247002369 141048835 /nfs/dbraw/zinc/04/88/35/141048835.db2.gz WZNWCPKNEWKDDX-QKLQHJQFSA-N 2 2 341.499 3.271 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247002369 141048836 /nfs/dbraw/zinc/04/88/36/141048836.db2.gz WZNWCPKNEWKDDX-QKLQHJQFSA-N 2 2 341.499 3.271 20 0 EGADLP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337896834 141070823 /nfs/dbraw/zinc/07/08/23/141070823.db2.gz MAUKIFOSEPTQHU-TZIWHRDSSA-N 2 2 337.467 3.141 20 0 EGADLP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337896834 141070825 /nfs/dbraw/zinc/07/08/25/141070825.db2.gz MAUKIFOSEPTQHU-TZIWHRDSSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337896834 141070827 /nfs/dbraw/zinc/07/08/27/141070827.db2.gz MAUKIFOSEPTQHU-TZIWHRDSSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337896834 141070830 /nfs/dbraw/zinc/07/08/30/141070830.db2.gz MAUKIFOSEPTQHU-TZIWHRDSSA-N 2 2 337.467 3.141 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[NH+](Cc4ccccc4C)CC3)cn2c1 ZINC000338370522 141109916 /nfs/dbraw/zinc/10/99/16/141109916.db2.gz BOWDPBOMPVZSFN-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP c1[nH]nc2cc(CC[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000342810137 141149822 /nfs/dbraw/zinc/14/98/22/141149822.db2.gz OUKLHDRKJFJJRO-FQEVSTJZSA-N 2 2 334.467 3.360 20 0 EGADLP c1[nH]nc2cc(CC[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000342810137 141149823 /nfs/dbraw/zinc/14/98/23/141149823.db2.gz OUKLHDRKJFJJRO-FQEVSTJZSA-N 2 2 334.467 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810261 141149845 /nfs/dbraw/zinc/14/98/45/141149845.db2.gz PYWFEZLRLGWVNV-OXQOHEQNSA-N 2 2 349.482 3.001 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnn(-c3ccc(F)cc3)c1)CCC2 ZINC000344528897 141169220 /nfs/dbraw/zinc/16/92/20/141169220.db2.gz BGJSRMSTKMJNRK-INIZCTEOSA-N 2 2 339.418 3.184 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346467119 141200809 /nfs/dbraw/zinc/20/08/09/141200809.db2.gz IVSDXAFFJMXHOS-RHSMWYFYSA-N 2 2 343.402 3.009 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346467119 141200810 /nfs/dbraw/zinc/20/08/10/141200810.db2.gz IVSDXAFFJMXHOS-RHSMWYFYSA-N 2 2 343.402 3.009 20 0 EGADLP CCC1(CC)[C@H]([N@@H+](C)Cc2ncc(C[NH+](C)C)s2)C[C@@H]1OC ZINC000347910187 141214752 /nfs/dbraw/zinc/21/47/52/141214752.db2.gz JMRCJFGLTJKWKO-CABCVRRESA-N 2 2 325.522 3.230 20 0 EGADLP CCC1(CC)[C@H]([N@H+](C)Cc2ncc(C[NH+](C)C)s2)C[C@@H]1OC ZINC000347910187 141214751 /nfs/dbraw/zinc/21/47/51/141214751.db2.gz JMRCJFGLTJKWKO-CABCVRRESA-N 2 2 325.522 3.230 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000347945714 141223099 /nfs/dbraw/zinc/22/30/99/141223099.db2.gz CZXWCXZAYMDVHO-UHFFFAOYSA-N 2 2 340.471 3.325 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000347993999 141230191 /nfs/dbraw/zinc/23/01/91/141230191.db2.gz DDOIPALVVIPJAV-QZTJIDSGSA-N 2 2 334.410 3.150 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000352973071 141280933 /nfs/dbraw/zinc/28/09/33/141280933.db2.gz KSYBPBTZCRRDTE-CALCHBBNSA-N 2 2 335.923 3.330 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000352973071 141280936 /nfs/dbraw/zinc/28/09/36/141280936.db2.gz KSYBPBTZCRRDTE-CALCHBBNSA-N 2 2 335.923 3.330 20 0 EGADLP C[N@H+](CCCNC(=O)Nc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000353336214 141289327 /nfs/dbraw/zinc/28/93/27/141289327.db2.gz KBWSECWJEMKXTQ-UHFFFAOYSA-N 2 2 329.448 3.110 20 0 EGADLP C[N@@H+](CCCNC(=O)Nc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000353336214 141289328 /nfs/dbraw/zinc/28/93/28/141289328.db2.gz KBWSECWJEMKXTQ-UHFFFAOYSA-N 2 2 329.448 3.110 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833773 141351393 /nfs/dbraw/zinc/35/13/93/141351393.db2.gz BTZYRSMNGGVIDB-HOTGVXAUSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000356833773 141351395 /nfs/dbraw/zinc/35/13/95/141351395.db2.gz BTZYRSMNGGVIDB-HOTGVXAUSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356839690 141351795 /nfs/dbraw/zinc/35/17/95/141351795.db2.gz FHHNWPFTVOKGNG-NSHDSACASA-N 2 2 333.398 3.401 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000357928163 141360308 /nfs/dbraw/zinc/36/03/08/141360308.db2.gz KKEHMHDFHXXDLM-KRWDZBQOSA-N 2 2 345.535 3.091 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000357928163 141360312 /nfs/dbraw/zinc/36/03/12/141360312.db2.gz KKEHMHDFHXXDLM-KRWDZBQOSA-N 2 2 345.535 3.091 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H]2CCO[C@H]21 ZINC000677806918 549334762 /nfs/dbraw/zinc/33/47/62/549334762.db2.gz UNLAMKQOCRBTPL-WJFTUGDTSA-N 2 2 328.500 3.443 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H]2CCO[C@H]21 ZINC000677806918 549334768 /nfs/dbraw/zinc/33/47/68/549334768.db2.gz UNLAMKQOCRBTPL-WJFTUGDTSA-N 2 2 328.500 3.443 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000172266874 144019279 /nfs/dbraw/zinc/01/92/79/144019279.db2.gz ADHIPIZKUDVHLT-KRWDZBQOSA-N 2 2 344.503 3.081 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173616656 144045002 /nfs/dbraw/zinc/04/50/02/144045002.db2.gz DBIBRSSAMDHRIQ-CQSZACIVSA-N 2 2 337.895 3.438 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950912 144082527 /nfs/dbraw/zinc/08/25/27/144082527.db2.gz ZLWFSCHYEKYSDD-ICSRJNTNSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183950912 144082528 /nfs/dbraw/zinc/08/25/28/144082528.db2.gz ZLWFSCHYEKYSDD-ICSRJNTNSA-N 3 2 344.547 3.004 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1F ZINC000187834738 144164739 /nfs/dbraw/zinc/16/47/39/144164739.db2.gz DKNNSPNXZIPTCI-ZDUSSCGKSA-N 2 2 325.391 3.269 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@@H+]1C ZINC000344621512 144200378 /nfs/dbraw/zinc/20/03/78/144200378.db2.gz GEEGDJYUDVKJGI-JSGCOSHPSA-N 2 2 345.468 3.111 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@H+]1C ZINC000344621512 144200380 /nfs/dbraw/zinc/20/03/80/144200380.db2.gz GEEGDJYUDVKJGI-JSGCOSHPSA-N 2 2 345.468 3.111 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680934 144209333 /nfs/dbraw/zinc/20/93/33/144209333.db2.gz QRCSJXMHWNBKSE-KXBFYZLASA-N 2 2 327.472 3.334 20 0 EGADLP Cc1nc(CC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000344680934 144209334 /nfs/dbraw/zinc/20/93/34/144209334.db2.gz QRCSJXMHWNBKSE-KXBFYZLASA-N 2 2 327.472 3.334 20 0 EGADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000347032421 144251187 /nfs/dbraw/zinc/25/11/87/144251187.db2.gz ABGQFXGPRVOEJS-SECBINFHSA-N 2 2 337.183 3.249 20 0 EGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000347032421 144251188 /nfs/dbraw/zinc/25/11/88/144251188.db2.gz ABGQFXGPRVOEJS-SECBINFHSA-N 2 2 337.183 3.249 20 0 EGADLP c1cn(Cc2ccc(NCc3cccc(-c4ccccn4)c3)[nH+]c2)c[nH+]1 ZINC000351546109 144276960 /nfs/dbraw/zinc/27/69/60/144276960.db2.gz OBXUQVFQZJTYEL-UHFFFAOYSA-N 2 2 341.418 3.422 20 0 EGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351583654 144283594 /nfs/dbraw/zinc/28/35/94/144283594.db2.gz UUPKWYUORYITBS-QFBILLFUSA-N 2 2 330.472 3.483 20 0 EGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351583654 144283596 /nfs/dbraw/zinc/28/35/96/144283596.db2.gz UUPKWYUORYITBS-QFBILLFUSA-N 2 2 330.472 3.483 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351777542 144305531 /nfs/dbraw/zinc/30/55/31/144305531.db2.gz FZQWDVHOZVLPOE-INIZCTEOSA-N 2 2 342.487 3.447 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000351777542 144305534 /nfs/dbraw/zinc/30/55/34/144305534.db2.gz FZQWDVHOZVLPOE-INIZCTEOSA-N 2 2 342.487 3.447 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851273 144316612 /nfs/dbraw/zinc/31/66/12/144316612.db2.gz KZBHPUAJDXIMNJ-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851273 144316613 /nfs/dbraw/zinc/31/66/13/144316613.db2.gz KZBHPUAJDXIMNJ-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000351877245 144319252 /nfs/dbraw/zinc/31/92/52/144319252.db2.gz BJAGOMCQQCPQOK-DYVFJYSZSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000351877245 144319253 /nfs/dbraw/zinc/31/92/53/144319253.db2.gz BJAGOMCQQCPQOK-DYVFJYSZSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000351877245 144319254 /nfs/dbraw/zinc/31/92/54/144319254.db2.gz BJAGOMCQQCPQOK-DYVFJYSZSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000351877245 144319255 /nfs/dbraw/zinc/31/92/55/144319255.db2.gz BJAGOMCQQCPQOK-DYVFJYSZSA-N 2 2 336.863 3.043 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CCCOC3CCCCC3)CC2)nc1 ZINC000341430887 155288051 /nfs/dbraw/zinc/28/80/51/155288051.db2.gz BKYNPKKMUFYPMY-UHFFFAOYSA-N 2 2 331.504 3.375 20 0 EGADLP CC[NH+](CC)CCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115314419 152005756 /nfs/dbraw/zinc/00/57/56/152005756.db2.gz QPIZJEDHAULSHW-UHFFFAOYSA-N 2 2 327.428 3.254 20 0 EGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccco3)CC2)c1 ZINC000117350944 152096739 /nfs/dbraw/zinc/09/67/39/152096739.db2.gz ZMXMWLMSLVLIAW-UHFFFAOYSA-N 2 2 333.863 3.235 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843585 152156199 /nfs/dbraw/zinc/15/61/99/152156199.db2.gz FJOARMBOJBLBIV-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843585 152156201 /nfs/dbraw/zinc/15/62/01/152156201.db2.gz FJOARMBOJBLBIV-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843585 152156202 /nfs/dbraw/zinc/15/62/02/152156202.db2.gz FJOARMBOJBLBIV-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843585 152156204 /nfs/dbraw/zinc/15/62/04/152156204.db2.gz FJOARMBOJBLBIV-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000119919853 152238865 /nfs/dbraw/zinc/23/88/65/152238865.db2.gz PCNMNCWDWLIRRX-ZNMIVQPWSA-N 2 2 337.533 3.172 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000119919853 152238866 /nfs/dbraw/zinc/23/88/66/152238866.db2.gz PCNMNCWDWLIRRX-ZNMIVQPWSA-N 2 2 337.533 3.172 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000120651740 152290249 /nfs/dbraw/zinc/29/02/49/152290249.db2.gz MTXUPZOZTGHDLF-CQSZACIVSA-N 2 2 337.423 3.467 20 0 EGADLP C[C@H]1CCc2nc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)sc2C1 ZINC000121782093 152371005 /nfs/dbraw/zinc/37/10/05/152371005.db2.gz LBWZIAZJGVARCC-AWEZNQCLSA-N 2 2 344.528 3.456 20 0 EGADLP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341588174 155370599 /nfs/dbraw/zinc/37/05/99/155370599.db2.gz IWUNMGWGEFJOQK-XLIONFOSSA-N 2 2 345.531 3.477 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCSCC1 ZINC000187024885 153007004 /nfs/dbraw/zinc/00/70/04/153007004.db2.gz NQOUNVHAISHKIX-INIZCTEOSA-N 2 2 334.529 3.140 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000190993520 153169878 /nfs/dbraw/zinc/16/98/78/153169878.db2.gz GFRZHPAULQGBEQ-KRWDZBQOSA-N 2 2 326.488 3.148 20 0 EGADLP CCN(C)c1ccc(CNc2ccc(C)cc2OCC[NH+](C)C)c[nH+]1 ZINC000191434200 153196141 /nfs/dbraw/zinc/19/61/41/153196141.db2.gz MQYQTMCKMMAPFZ-UHFFFAOYSA-N 2 2 342.487 3.399 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H](CNc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000192959181 153270588 /nfs/dbraw/zinc/27/05/88/153270588.db2.gz HGWFWJZKYCJDKV-SFHVURJKSA-N 2 2 337.471 3.011 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H](CNc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000192959181 153270592 /nfs/dbraw/zinc/27/05/92/153270592.db2.gz HGWFWJZKYCJDKV-SFHVURJKSA-N 2 2 337.471 3.011 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H](CNc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000192959181 153270599 /nfs/dbraw/zinc/27/05/99/153270599.db2.gz HGWFWJZKYCJDKV-SFHVURJKSA-N 2 2 337.471 3.011 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H](CNc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000192959181 153270603 /nfs/dbraw/zinc/27/06/03/153270603.db2.gz HGWFWJZKYCJDKV-SFHVURJKSA-N 2 2 337.471 3.011 20 0 EGADLP Cc1cccc(O[C@@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000341647141 155399387 /nfs/dbraw/zinc/39/93/87/155399387.db2.gz YRNFYCTYQDOACI-SFHVURJKSA-N 2 2 339.483 3.412 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310964977 154145300 /nfs/dbraw/zinc/14/53/00/154145300.db2.gz OLXREMGXZXLJAS-MAUKXSAKSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310964977 154145302 /nfs/dbraw/zinc/14/53/02/154145302.db2.gz OLXREMGXZXLJAS-MAUKXSAKSA-N 2 2 342.439 3.066 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)ccc2c1 ZINC000327394924 154186804 /nfs/dbraw/zinc/18/68/04/154186804.db2.gz DCADPHITQYDSPL-PAXLWEDBSA-N 2 2 340.467 3.362 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)ccc2c1 ZINC000327394924 154186807 /nfs/dbraw/zinc/18/68/07/154186807.db2.gz DCADPHITQYDSPL-PAXLWEDBSA-N 2 2 340.467 3.362 20 0 EGADLP c1[nH]nc2c1cccc2C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337386100 154324021 /nfs/dbraw/zinc/32/40/21/154324021.db2.gz LJVRBIPDUNKJBV-QGZVFWFLSA-N 2 2 335.455 3.475 20 0 EGADLP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337386100 154324028 /nfs/dbraw/zinc/32/40/28/154324028.db2.gz LJVRBIPDUNKJBV-QGZVFWFLSA-N 2 2 335.455 3.475 20 0 EGADLP C[C@@H](CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442893 154355768 /nfs/dbraw/zinc/35/57/68/154355768.db2.gz GUUALHNDTLPCQS-FPOVZHCZSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@@H](CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442893 154355771 /nfs/dbraw/zinc/35/57/71/154355771.db2.gz GUUALHNDTLPCQS-FPOVZHCZSA-N 2 2 346.515 3.026 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn2c1 ZINC000341037222 155127079 /nfs/dbraw/zinc/12/70/79/155127079.db2.gz ARCKDSANFDVMPS-FXAWDEMLSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn2c1 ZINC000341037222 155127080 /nfs/dbraw/zinc/12/70/80/155127080.db2.gz ARCKDSANFDVMPS-FXAWDEMLSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000345507015 156128997 /nfs/dbraw/zinc/12/89/97/156128997.db2.gz MFRCWAULXUZWMN-IRXDYDNUSA-N 2 2 340.471 3.173 20 0 EGADLP FC(F)(F)c1cccc([C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983904 156229636 /nfs/dbraw/zinc/22/96/36/156229636.db2.gz OEOPLFZJZRIBJV-CJNGLKHVSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1cccc([C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983904 156229642 /nfs/dbraw/zinc/22/96/42/156229642.db2.gz OEOPLFZJZRIBJV-CJNGLKHVSA-N 2 2 328.378 3.078 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000347012249 156246606 /nfs/dbraw/zinc/24/66/06/156246606.db2.gz VTZGOJKJCCGGBM-NSHDSACASA-N 2 2 349.219 3.092 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000347012249 156246608 /nfs/dbraw/zinc/24/66/08/156246608.db2.gz VTZGOJKJCCGGBM-NSHDSACASA-N 2 2 349.219 3.092 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)CCC2 ZINC000352630571 156390725 /nfs/dbraw/zinc/39/07/25/156390725.db2.gz PJEJSSGPXFPQFH-KRWDZBQOSA-N 2 2 335.455 3.259 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401986 157114287 /nfs/dbraw/zinc/11/42/87/157114287.db2.gz HXHYNGGXTUQXDD-OALUTQOASA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000365401986 157114291 /nfs/dbraw/zinc/11/42/91/157114291.db2.gz HXHYNGGXTUQXDD-OALUTQOASA-N 2 2 331.504 3.060 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365625681 157196556 /nfs/dbraw/zinc/19/65/56/157196556.db2.gz MZHFIHFZLYLFFD-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365625681 157196561 /nfs/dbraw/zinc/19/65/61/157196561.db2.gz MZHFIHFZLYLFFD-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000365634425 157198372 /nfs/dbraw/zinc/19/83/72/157198372.db2.gz YQIDCOPFHALIMG-OAHLLOKOSA-N 2 2 337.423 3.215 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000365634425 157198377 /nfs/dbraw/zinc/19/83/77/157198377.db2.gz YQIDCOPFHALIMG-OAHLLOKOSA-N 2 2 337.423 3.215 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631428 157198458 /nfs/dbraw/zinc/19/84/58/157198458.db2.gz QUZMCSPHEVABFK-GOSISDBHSA-N 2 2 341.455 3.365 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365631428 157198461 /nfs/dbraw/zinc/19/84/61/157198461.db2.gz QUZMCSPHEVABFK-GOSISDBHSA-N 2 2 341.455 3.365 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318046 162002886 /nfs/dbraw/zinc/00/28/86/162002886.db2.gz ZPGDTTCSVUFRKZ-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000093318046 162002888 /nfs/dbraw/zinc/00/28/88/162002888.db2.gz ZPGDTTCSVUFRKZ-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318046 162002890 /nfs/dbraw/zinc/00/28/90/162002890.db2.gz ZPGDTTCSVUFRKZ-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1nn(C)cc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000093318046 162002893 /nfs/dbraw/zinc/00/28/93/162002893.db2.gz ZPGDTTCSVUFRKZ-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(C)C ZINC000093597096 162017405 /nfs/dbraw/zinc/01/74/05/162017405.db2.gz NFWLQKCLHKBWKN-GOSISDBHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(C)C ZINC000093597096 162017415 /nfs/dbraw/zinc/01/74/15/162017415.db2.gz NFWLQKCLHKBWKN-GOSISDBHSA-N 2 2 332.488 3.400 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093693364 162023720 /nfs/dbraw/zinc/02/37/20/162023720.db2.gz FHWGIYJMXKQWGB-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093693364 162023723 /nfs/dbraw/zinc/02/37/23/162023723.db2.gz FHWGIYJMXKQWGB-OAHLLOKOSA-N 2 2 342.430 3.460 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111242994 162148566 /nfs/dbraw/zinc/14/85/66/162148566.db2.gz CNQDADBPRGAJIS-UHFFFAOYSA-N 2 2 329.835 3.260 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126805017 162313509 /nfs/dbraw/zinc/31/35/09/162313509.db2.gz BPLGYLIYPAFAPQ-AOIWGVFYSA-N 3 2 335.561 3.280 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126805017 162313511 /nfs/dbraw/zinc/31/35/11/162313511.db2.gz BPLGYLIYPAFAPQ-AOIWGVFYSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126805017 162313515 /nfs/dbraw/zinc/31/35/15/162313515.db2.gz BPLGYLIYPAFAPQ-AOIWGVFYSA-N 3 2 335.561 3.280 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126805017 162313518 /nfs/dbraw/zinc/31/35/18/162313518.db2.gz BPLGYLIYPAFAPQ-AOIWGVFYSA-N 3 2 335.561 3.280 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130997678 162388100 /nfs/dbraw/zinc/38/81/00/162388100.db2.gz FAFGLDGREQHVLQ-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000248497628 163009290 /nfs/dbraw/zinc/00/92/90/163009290.db2.gz LYLUOXZYDJAJCH-BFYDXBDKSA-N 2 2 330.501 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nccs1 ZINC000248497628 163009291 /nfs/dbraw/zinc/00/92/91/163009291.db2.gz LYLUOXZYDJAJCH-BFYDXBDKSA-N 2 2 330.501 3.142 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108360 163074480 /nfs/dbraw/zinc/07/44/80/163074480.db2.gz DTFVYMNWPIVNDR-MSOLQXFVSA-N 2 2 330.497 3.208 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108360 163074484 /nfs/dbraw/zinc/07/44/84/163074484.db2.gz DTFVYMNWPIVNDR-MSOLQXFVSA-N 2 2 330.497 3.208 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108361 163074720 /nfs/dbraw/zinc/07/47/20/163074720.db2.gz DTFVYMNWPIVNDR-QZTJIDSGSA-N 2 2 330.497 3.208 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000305108361 163074723 /nfs/dbraw/zinc/07/47/23/163074723.db2.gz DTFVYMNWPIVNDR-QZTJIDSGSA-N 2 2 330.497 3.208 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000326860150 163084512 /nfs/dbraw/zinc/08/45/12/163084512.db2.gz UDPCWJSQOZRELK-UHFFFAOYSA-N 2 2 330.395 3.374 20 0 EGADLP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269822 163189356 /nfs/dbraw/zinc/18/93/56/163189356.db2.gz MHCIMXXIZPOPLV-MSOLQXFVSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269822 163189357 /nfs/dbraw/zinc/18/93/57/163189357.db2.gz MHCIMXXIZPOPLV-MSOLQXFVSA-N 2 2 343.515 3.161 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337278681 163192169 /nfs/dbraw/zinc/19/21/69/163192169.db2.gz SZQHWKJSWDOQNF-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337278681 163192172 /nfs/dbraw/zinc/19/21/72/163192172.db2.gz SZQHWKJSWDOQNF-OAHLLOKOSA-N 2 2 337.895 3.393 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O)c2nc(C)ccc12 ZINC000338314111 163209845 /nfs/dbraw/zinc/20/98/45/163209845.db2.gz JIJSZNHJBPHRQZ-SJORKVTESA-N 2 2 325.456 3.307 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O)c2nc(C)ccc12 ZINC000338314111 163209847 /nfs/dbraw/zinc/20/98/47/163209847.db2.gz JIJSZNHJBPHRQZ-SJORKVTESA-N 2 2 325.456 3.307 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c2nc(C)ccc12 ZINC000338314111 163209850 /nfs/dbraw/zinc/20/98/50/163209850.db2.gz JIJSZNHJBPHRQZ-SJORKVTESA-N 2 2 325.456 3.307 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)c2nc(C)ccc12 ZINC000338314111 163209853 /nfs/dbraw/zinc/20/98/53/163209853.db2.gz JIJSZNHJBPHRQZ-SJORKVTESA-N 2 2 325.456 3.307 20 0 EGADLP CSc1ccc([C@@H](CNc2nc(C)[nH+]c(C)c2C)[NH+](C)C)cc1 ZINC000338831843 163359419 /nfs/dbraw/zinc/35/94/19/163359419.db2.gz LNZYUWNZWPIRLK-QGZVFWFLSA-N 2 2 330.501 3.260 20 0 EGADLP CSc1ccc([C@@H](CNc2cc[nH+]c3ccncc23)[NH+](C)C)cc1 ZINC000338838051 163360472 /nfs/dbraw/zinc/36/04/72/163360472.db2.gz RJCQBNYEKZTFCH-LJQANCHMSA-N 2 2 338.480 3.488 20 0 EGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000338927697 163390100 /nfs/dbraw/zinc/39/01/00/163390100.db2.gz WEROZDMSTMRVQY-MRXNPFEDSA-N 2 2 331.504 3.199 20 0 EGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000338927697 163390104 /nfs/dbraw/zinc/39/01/04/163390104.db2.gz WEROZDMSTMRVQY-MRXNPFEDSA-N 2 2 331.504 3.199 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccnn2C)c1 ZINC000338945413 163397673 /nfs/dbraw/zinc/39/76/73/163397673.db2.gz QHEKAWXKKDKGJL-LJQANCHMSA-N 2 2 348.450 3.444 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccnn2C)c1 ZINC000338945413 163397674 /nfs/dbraw/zinc/39/76/74/163397674.db2.gz QHEKAWXKKDKGJL-LJQANCHMSA-N 2 2 348.450 3.444 20 0 EGADLP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(F)c1F ZINC000343945509 164071505 /nfs/dbraw/zinc/07/15/05/164071505.db2.gz VZRMJAGIMJHOEO-ZDUSSCGKSA-N 2 2 335.398 3.151 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000344004983 164080748 /nfs/dbraw/zinc/08/07/48/164080748.db2.gz YVVXVVIZIZDVAD-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000344004983 164080749 /nfs/dbraw/zinc/08/07/49/164080749.db2.gz YVVXVVIZIZDVAD-MSOLQXFVSA-N 2 2 349.482 3.438 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(Br)c1 ZINC000344022609 164084456 /nfs/dbraw/zinc/08/44/56/164084456.db2.gz NZSJLZVIFMDDBE-NEPJUHHUSA-N 2 2 329.282 3.449 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296389 164148690 /nfs/dbraw/zinc/14/86/90/164148690.db2.gz MCFNGPTWOVJKJK-WSTZPKSXSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296389 164148692 /nfs/dbraw/zinc/14/86/92/164148692.db2.gz MCFNGPTWOVJKJK-WSTZPKSXSA-N 2 2 330.516 3.285 20 0 EGADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344372467 164166156 /nfs/dbraw/zinc/16/61/56/164166156.db2.gz GSWMJOLUVJDHDR-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344372467 164166158 /nfs/dbraw/zinc/16/61/58/164166158.db2.gz GSWMJOLUVJDHDR-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000345936906 164299500 /nfs/dbraw/zinc/29/95/00/164299500.db2.gz QZKYYUHQVGCKIR-KURKYZTESA-N 2 2 346.519 3.163 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCOC[C@@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346149324 164350097 /nfs/dbraw/zinc/35/00/97/164350097.db2.gz WUBCQRDKENSQHO-KRWDZBQOSA-N 2 2 339.464 3.377 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCOC[C@@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346149324 164350098 /nfs/dbraw/zinc/35/00/98/164350098.db2.gz WUBCQRDKENSQHO-KRWDZBQOSA-N 2 2 339.464 3.377 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCOC[C@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346149326 164350528 /nfs/dbraw/zinc/35/05/28/164350528.db2.gz WUBCQRDKENSQHO-QGZVFWFLSA-N 2 2 339.464 3.377 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCOC[C@H]3Cc3ccccc3)c2)c[nH+]1 ZINC000346149326 164350529 /nfs/dbraw/zinc/35/05/29/164350529.db2.gz WUBCQRDKENSQHO-QGZVFWFLSA-N 2 2 339.464 3.377 20 0 EGADLP CCc1cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000346302750 164366140 /nfs/dbraw/zinc/36/61/40/164366140.db2.gz TYXKOLQEZDLROR-UHFFFAOYSA-N 2 2 337.533 3.030 20 0 EGADLP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(F)c1F ZINC000346331756 164369917 /nfs/dbraw/zinc/36/99/17/164369917.db2.gz OJFHIQFUAQEVAW-UHFFFAOYSA-N 2 2 349.400 3.296 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC000354933839 166067301 /nfs/dbraw/zinc/06/73/01/166067301.db2.gz HSZAMBVBEICKRM-HZPDHXFCSA-N 2 2 330.394 3.396 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc4occc4c3)[nH+]c2)C1 ZINC000351618598 165102580 /nfs/dbraw/zinc/10/25/80/165102580.db2.gz AJBBJDZSULENKK-GOSISDBHSA-N 2 2 336.439 3.002 20 0 EGADLP CCN(CCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058766 166095715 /nfs/dbraw/zinc/09/57/15/166095715.db2.gz ONOBSRUYJULEGU-LSDHHAIUSA-N 2 2 332.414 3.040 20 0 EGADLP CCN(CCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058766 166095719 /nfs/dbraw/zinc/09/57/19/166095719.db2.gz ONOBSRUYJULEGU-LSDHHAIUSA-N 2 2 332.414 3.040 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)nnn1-c1ccccc1 ZINC000355072882 166100440 /nfs/dbraw/zinc/10/04/40/166100440.db2.gz YGIDSFAZAIOETI-MRXNPFEDSA-N 2 2 341.503 3.348 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745053 287135108 /nfs/dbraw/zinc/13/51/08/287135108.db2.gz WDDOVLLUOSPYIS-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745053 287135109 /nfs/dbraw/zinc/13/51/09/287135109.db2.gz WDDOVLLUOSPYIS-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745053 287135110 /nfs/dbraw/zinc/13/51/10/287135110.db2.gz WDDOVLLUOSPYIS-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1ccc(F)c(F)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343745053 287135111 /nfs/dbraw/zinc/13/51/11/287135111.db2.gz WDDOVLLUOSPYIS-GJZGRUSLSA-N 2 2 337.458 3.126 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c[nH+]1 ZINC000355142339 166116918 /nfs/dbraw/zinc/11/69/18/166116918.db2.gz XWOUVNJFAYSQNB-WOJBJXKFSA-N 2 2 328.431 3.218 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355284495 166153332 /nfs/dbraw/zinc/15/33/32/166153332.db2.gz AZNBIFPYQYXIJP-KRWDZBQOSA-N 2 2 334.423 3.185 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355284495 166153336 /nfs/dbraw/zinc/15/33/36/166153336.db2.gz AZNBIFPYQYXIJP-KRWDZBQOSA-N 2 2 334.423 3.185 20 0 EGADLP Cc1cccc2ncc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)n21 ZINC000355300166 166157230 /nfs/dbraw/zinc/15/72/30/166157230.db2.gz ZJYPXGWIMOSGJG-PMACEKPBSA-N 2 2 346.478 3.207 20 0 EGADLP CO[C@H]1CC[N@H+](CCCSc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000359052165 167051444 /nfs/dbraw/zinc/05/14/44/167051444.db2.gz FRPWCSWBFMDLAD-KBPBESRZSA-N 2 2 328.909 3.260 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000359052165 167051447 /nfs/dbraw/zinc/05/14/47/167051447.db2.gz FRPWCSWBFMDLAD-KBPBESRZSA-N 2 2 328.909 3.260 20 0 EGADLP Cc1ccsc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000359312863 167122256 /nfs/dbraw/zinc/12/22/56/167122256.db2.gz OVVISPNJZHOGMI-WMZOPIPTSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ccsc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000359312863 167122259 /nfs/dbraw/zinc/12/22/59/167122259.db2.gz OVVISPNJZHOGMI-WMZOPIPTSA-N 2 2 329.513 3.494 20 0 EGADLP [NH3+]CCC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1 ZINC000359473837 167166415 /nfs/dbraw/zinc/16/64/15/167166415.db2.gz OQCACHQGVITKSS-UHFFFAOYSA-N 2 2 328.847 3.339 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccccc1 ZINC000359473837 167166418 /nfs/dbraw/zinc/16/64/18/167166418.db2.gz OQCACHQGVITKSS-UHFFFAOYSA-N 2 2 328.847 3.339 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560002 167357616 /nfs/dbraw/zinc/35/76/16/167357616.db2.gz DPAPEXYTRRQVFJ-UZLBHIALSA-N 2 2 329.488 3.131 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560002 167357620 /nfs/dbraw/zinc/35/76/20/167357620.db2.gz DPAPEXYTRRQVFJ-UZLBHIALSA-N 2 2 329.488 3.131 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360559995 167357807 /nfs/dbraw/zinc/35/78/07/167357807.db2.gz DPAPEXYTRRQVFJ-OXJNMPFZSA-N 2 2 329.488 3.131 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360559995 167357809 /nfs/dbraw/zinc/35/78/09/167357809.db2.gz DPAPEXYTRRQVFJ-OXJNMPFZSA-N 2 2 329.488 3.131 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC000366092499 168081535 /nfs/dbraw/zinc/08/15/35/168081535.db2.gz NKXVHXYRYQOFBV-UYSNPLJNSA-N 2 2 334.508 3.368 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC000366092499 168081537 /nfs/dbraw/zinc/08/15/37/168081537.db2.gz NKXVHXYRYQOFBV-UYSNPLJNSA-N 2 2 334.508 3.368 20 0 EGADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441263 168121680 /nfs/dbraw/zinc/12/16/80/168121680.db2.gz FABIFAMQPHICJM-CZUORRHYSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441263 168121682 /nfs/dbraw/zinc/12/16/82/168121682.db2.gz FABIFAMQPHICJM-CZUORRHYSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000367359657 168213429 /nfs/dbraw/zinc/21/34/29/168213429.db2.gz AHMMPHKEBALUOG-KXBFYZLASA-N 2 2 345.512 3.198 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000367359657 168213432 /nfs/dbraw/zinc/21/34/32/168213432.db2.gz AHMMPHKEBALUOG-KXBFYZLASA-N 2 2 345.512 3.198 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000367450208 168227360 /nfs/dbraw/zinc/22/73/60/168227360.db2.gz HDCUDTABNCXRBY-WMZOPIPTSA-N 2 2 327.476 3.002 20 0 EGADLP CC(C)n1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000367450208 168227361 /nfs/dbraw/zinc/22/73/61/168227361.db2.gz HDCUDTABNCXRBY-WMZOPIPTSA-N 2 2 327.476 3.002 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc(-n3ccnn3)c1)CCC2 ZINC000367893966 168281349 /nfs/dbraw/zinc/28/13/49/168281349.db2.gz ANSNXSQLYKCJIY-NVXWUHKLSA-N 2 2 336.443 3.000 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158767835 225080812 /nfs/dbraw/zinc/08/08/12/225080812.db2.gz XUMWZRNWIMTDIQ-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1 ZINC000158767835 225080815 /nfs/dbraw/zinc/08/08/15/225080815.db2.gz XUMWZRNWIMTDIQ-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1 ZINC000158767835 225080819 /nfs/dbraw/zinc/08/08/19/225080819.db2.gz XUMWZRNWIMTDIQ-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1 ZINC000158767835 225080822 /nfs/dbraw/zinc/08/08/22/225080822.db2.gz XUMWZRNWIMTDIQ-ZHALLVOQSA-N 2 2 329.488 3.047 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000122966285 222192045 /nfs/dbraw/zinc/19/20/45/222192045.db2.gz GWRAACYUBAUPLF-UHFFFAOYSA-N 2 2 336.476 3.067 20 0 EGADLP Cc1cccc(OCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000178862731 265347216 /nfs/dbraw/zinc/34/72/16/265347216.db2.gz JFMAXKBDMPUVNA-UHFFFAOYSA-N 2 2 346.394 3.010 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000179039320 265357526 /nfs/dbraw/zinc/35/75/26/265357526.db2.gz RFOCEKUEMQJMDM-UHFFFAOYSA-N 2 2 332.879 3.447 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187957398 265639044 /nfs/dbraw/zinc/63/90/44/265639044.db2.gz XNVGICRVMWTBTF-CXAGYDPISA-N 2 2 327.407 3.069 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000190005867 265812484 /nfs/dbraw/zinc/81/24/84/265812484.db2.gz JOVPDDMUTQNYJB-UHFFFAOYSA-N 2 2 344.459 3.214 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000237760981 266242780 /nfs/dbraw/zinc/24/27/80/266242780.db2.gz MCERFXFNTZMVNG-IRXDYDNUSA-N 2 2 342.487 3.149 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000250138209 266262796 /nfs/dbraw/zinc/26/27/96/266262796.db2.gz YKSOCEZNYSWAHP-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)C1 ZINC000250138209 266262802 /nfs/dbraw/zinc/26/28/02/266262802.db2.gz YKSOCEZNYSWAHP-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc4[nH]ccc43)[nH+]c2)C1 ZINC000269508676 266308129 /nfs/dbraw/zinc/30/81/29/266308129.db2.gz NYKOIKAOMSKUIZ-KRWDZBQOSA-N 2 2 335.455 3.315 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000271508732 266675813 /nfs/dbraw/zinc/67/58/13/266675813.db2.gz NKGBKFZZKLRXHV-LJQANCHMSA-N 2 2 342.462 3.223 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000273535401 267055806 /nfs/dbraw/zinc/05/58/06/267055806.db2.gz SDKIZUJXXULOEA-UHFFFAOYSA-N 2 2 338.224 3.151 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000273535401 267055811 /nfs/dbraw/zinc/05/58/11/267055811.db2.gz SDKIZUJXXULOEA-UHFFFAOYSA-N 2 2 338.224 3.151 20 0 EGADLP C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000274364106 267224907 /nfs/dbraw/zinc/22/49/07/267224907.db2.gz IZQMPICWMKFOKW-AWEZNQCLSA-N 2 2 339.468 3.068 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000274682863 267272127 /nfs/dbraw/zinc/27/21/27/267272127.db2.gz RVQJHUPIGYBSPN-KRWDZBQOSA-N 2 2 343.437 3.382 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000274726980 267277345 /nfs/dbraw/zinc/27/73/45/267277345.db2.gz FZWHLNIKDXUJKI-INIZCTEOSA-N 2 2 346.519 3.245 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1C(=O)OC(C)(C)C ZINC000278527084 268032079 /nfs/dbraw/zinc/03/20/79/268032079.db2.gz UFEQYOGZINHAEI-CABCVRRESA-N 2 2 344.459 3.212 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000336868680 274253172 /nfs/dbraw/zinc/25/31/72/274253172.db2.gz VVPISOLORZTQTD-LLVKDONJSA-N 2 2 326.366 3.356 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110822728 275181700 /nfs/dbraw/zinc/18/17/00/275181700.db2.gz RIGCBHMUUXGBAA-CVEARBPZSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110822728 275181701 /nfs/dbraw/zinc/18/17/01/275181701.db2.gz RIGCBHMUUXGBAA-CVEARBPZSA-N 2 2 335.289 3.133 20 0 EGADLP COc1ccc(OCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000237430391 275231599 /nfs/dbraw/zinc/23/15/99/275231599.db2.gz LFWNCHIYUZAXST-LJQANCHMSA-N 2 2 340.467 3.328 20 0 EGADLP COc1ccc(OCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237430391 275231600 /nfs/dbraw/zinc/23/16/00/275231600.db2.gz LFWNCHIYUZAXST-LJQANCHMSA-N 2 2 340.467 3.328 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Br ZINC000277036123 275254113 /nfs/dbraw/zinc/25/41/13/275254113.db2.gz BNOFKVONLPFYAD-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Br ZINC000277036123 275254114 /nfs/dbraw/zinc/25/41/14/275254114.db2.gz BNOFKVONLPFYAD-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1noc(C)n1 ZINC000278750981 275271590 /nfs/dbraw/zinc/27/15/90/275271590.db2.gz XAZDWMGJCVFCQY-CQSZACIVSA-N 2 2 329.448 3.073 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1noc(C)n1 ZINC000278750981 275271591 /nfs/dbraw/zinc/27/15/91/275271591.db2.gz XAZDWMGJCVFCQY-CQSZACIVSA-N 2 2 329.448 3.073 20 0 EGADLP CC(C)(C)c1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278794673 275275432 /nfs/dbraw/zinc/27/54/32/275275432.db2.gz FHKJTAFKFRUAAC-UHFFFAOYSA-N 2 2 343.475 3.280 20 0 EGADLP C[NH+]1CCN(c2ccc(NCc3ncc(C(C)(C)C)s3)[nH+]c2)CC1 ZINC000279189925 275311016 /nfs/dbraw/zinc/31/10/16/275311016.db2.gz SZLPPMUUDLYVGT-UHFFFAOYSA-N 2 2 345.516 3.200 20 0 EGADLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1O ZINC000279434141 275330807 /nfs/dbraw/zinc/33/08/07/275330807.db2.gz OKDOGQWXHMODNX-UHFFFAOYSA-N 2 2 341.455 3.313 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000279620209 275344518 /nfs/dbraw/zinc/34/45/18/275344518.db2.gz ASCHPPRVZSLBIH-UHFFFAOYSA-N 2 2 348.450 3.281 20 0 EGADLP CN(CCC[NH+]1CCCC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000281825612 275579981 /nfs/dbraw/zinc/57/99/81/275579981.db2.gz WBPUJYUVPZILKV-UHFFFAOYSA-N 2 2 339.439 3.432 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3cn[nH]c3)[nH+]c12 ZINC000285330031 275865348 /nfs/dbraw/zinc/86/53/48/275865348.db2.gz UFEVDXWBPDTKQX-NSHDSACASA-N 2 2 348.248 3.022 20 0 EGADLP CC[C@]([NH2+]CCCn1cc[nH+]c1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285514990 275884306 /nfs/dbraw/zinc/88/43/06/275884306.db2.gz KARACTLYIVVTNL-GOSISDBHSA-N 2 2 349.862 3.303 20 0 EGADLP COc1ccncc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286935497 276060025 /nfs/dbraw/zinc/06/00/25/276060025.db2.gz NNLCUZLVGBFUDI-OAHLLOKOSA-N 2 2 326.444 3.003 20 0 EGADLP COc1ccncc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286935497 276060026 /nfs/dbraw/zinc/06/00/26/276060026.db2.gz NNLCUZLVGBFUDI-OAHLLOKOSA-N 2 2 326.444 3.003 20 0 EGADLP C[NH+](C)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000287195072 276095121 /nfs/dbraw/zinc/09/51/21/276095121.db2.gz VZXKYSGXICBERL-INIZCTEOSA-N 2 2 341.293 3.068 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000287674444 276146115 /nfs/dbraw/zinc/14/61/15/276146115.db2.gz XVEWMJLGLQUYFQ-INIZCTEOSA-N 2 2 330.407 3.262 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287764496 276155019 /nfs/dbraw/zinc/15/50/19/276155019.db2.gz RDLYYPZCFLACSZ-WFASDCNBSA-N 2 2 327.350 3.044 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000287775210 276155956 /nfs/dbraw/zinc/15/59/56/276155956.db2.gz RUOJAIDGSYAFBE-IWCQGFGOSA-N 2 2 342.405 3.349 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000287775210 276155957 /nfs/dbraw/zinc/15/59/57/276155957.db2.gz RUOJAIDGSYAFBE-IWCQGFGOSA-N 2 2 342.405 3.349 20 0 EGADLP FC(F)(F)[C@H]1C[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCO1 ZINC000287792494 276157568 /nfs/dbraw/zinc/15/75/68/276157568.db2.gz SWGUXHKCKLHHHC-BXUZGUMPSA-N 2 2 327.350 3.195 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287857816 276164232 /nfs/dbraw/zinc/16/42/32/276164232.db2.gz XELDRCAJUVHKRM-FVQBIDKESA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287857816 276164234 /nfs/dbraw/zinc/16/42/34/276164234.db2.gz XELDRCAJUVHKRM-FVQBIDKESA-N 2 2 330.394 3.206 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000289342627 276324912 /nfs/dbraw/zinc/32/49/12/276324912.db2.gz WIRAHCWKHYVPCW-UHFFFAOYSA-N 3 2 341.499 3.443 20 0 EGADLP C[NH+](C)CCN(Cc1cccs1)Cc1[nH+]ccn1CC(F)(F)F ZINC000289428087 276337570 /nfs/dbraw/zinc/33/75/70/276337570.db2.gz KDZMUEXTJFKSQW-UHFFFAOYSA-N 2 2 346.422 3.071 20 0 EGADLP C[C@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704892 276380807 /nfs/dbraw/zinc/38/08/07/276380807.db2.gz HOHLVYKLQRKROB-WMZOPIPTSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704892 276380808 /nfs/dbraw/zinc/38/08/08/276380808.db2.gz HOHLVYKLQRKROB-WMZOPIPTSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704892 276380809 /nfs/dbraw/zinc/38/08/09/276380809.db2.gz HOHLVYKLQRKROB-WMZOPIPTSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704892 276380812 /nfs/dbraw/zinc/38/08/12/276380812.db2.gz HOHLVYKLQRKROB-WMZOPIPTSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCn1cc[nH+]c1 ZINC000289781473 276393476 /nfs/dbraw/zinc/39/34/76/276393476.db2.gz PZRUIAAPRSIOAC-GFCCVEGCSA-N 2 2 340.240 3.396 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1O ZINC000289894283 276414695 /nfs/dbraw/zinc/41/46/95/276414695.db2.gz XEOKBUBETXEEHS-LIRRHRJNSA-N 2 2 344.455 3.190 20 0 EGADLP Cc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000290280570 276474590 /nfs/dbraw/zinc/47/45/90/276474590.db2.gz XCGJVKBENLPYMI-INIZCTEOSA-N 2 2 342.405 3.305 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4cc(F)ccc43)[nH+]c2)C1 ZINC000346951520 276837648 /nfs/dbraw/zinc/83/76/48/276837648.db2.gz COMRHVNQXVKXMQ-IEBWSBKVSA-N 2 2 340.446 3.460 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000363652545 278047657 /nfs/dbraw/zinc/04/76/57/278047657.db2.gz QJLPVVDJUVJSLZ-OXJNMPFZSA-N 2 2 343.515 3.285 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000363652545 278047658 /nfs/dbraw/zinc/04/76/58/278047658.db2.gz QJLPVVDJUVJSLZ-OXJNMPFZSA-N 2 2 343.515 3.285 20 0 EGADLP C[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000361456117 278233437 /nfs/dbraw/zinc/23/34/37/278233437.db2.gz IBBMEYCLQOZCPM-HNNXBMFYSA-N 3 2 335.458 3.257 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841265 280233610 /nfs/dbraw/zinc/23/36/10/280233610.db2.gz ZBVFRFSYNIIALP-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841265 280233611 /nfs/dbraw/zinc/23/36/11/280233611.db2.gz ZBVFRFSYNIIALP-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841265 280233613 /nfs/dbraw/zinc/23/36/13/280233613.db2.gz ZBVFRFSYNIIALP-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841265 280233614 /nfs/dbraw/zinc/23/36/14/280233614.db2.gz ZBVFRFSYNIIALP-HUUCEWRRSA-N 2 2 337.895 3.249 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)CC1 ZINC000182628109 290058100 /nfs/dbraw/zinc/05/81/00/290058100.db2.gz FSAGTAGVZOGEEB-ZCNNSNEGSA-N 2 2 341.499 3.198 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000090936785 290128500 /nfs/dbraw/zinc/12/85/00/290128500.db2.gz WPNMIGDDUBVSRW-KBXCAEBGSA-N 3 2 339.886 3.156 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000090936785 290128504 /nfs/dbraw/zinc/12/85/04/290128504.db2.gz WPNMIGDDUBVSRW-KBXCAEBGSA-N 3 2 339.886 3.156 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935510 294238232 /nfs/dbraw/zinc/23/82/32/294238232.db2.gz ZJCQPXIIAYTWJJ-KSSFIOAISA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935510 294238233 /nfs/dbraw/zinc/23/82/33/294238233.db2.gz ZJCQPXIIAYTWJJ-KSSFIOAISA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935510 294238234 /nfs/dbraw/zinc/23/82/34/294238234.db2.gz ZJCQPXIIAYTWJJ-KSSFIOAISA-N 2 2 344.890 3.267 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(-c2ccccc2Cl)n1 ZINC000352935510 294238235 /nfs/dbraw/zinc/23/82/35/294238235.db2.gz ZJCQPXIIAYTWJJ-KSSFIOAISA-N 2 2 344.890 3.267 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(Br)ccc1F)C[NH+]1CCCC1 ZINC000057994148 307347728 /nfs/dbraw/zinc/34/77/28/307347728.db2.gz MYKBYRZSBGYJTK-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000072718950 307381710 /nfs/dbraw/zinc/38/17/10/307381710.db2.gz QGTGZVJXZVFIJI-RTBURBONSA-N 2 2 343.515 3.236 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000072718950 307381711 /nfs/dbraw/zinc/38/17/11/307381711.db2.gz QGTGZVJXZVFIJI-RTBURBONSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414063353 309058551 /nfs/dbraw/zinc/05/85/51/309058551.db2.gz MICTVYRLZSCUPV-QGZVFWFLSA-N 2 2 338.499 3.187 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122580 309062320 /nfs/dbraw/zinc/06/23/20/309062320.db2.gz GBTJUEPYQOZXFX-MJGOQNOKSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122580 309062321 /nfs/dbraw/zinc/06/23/21/309062321.db2.gz GBTJUEPYQOZXFX-MJGOQNOKSA-N 2 2 326.488 3.373 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000414129696 309062553 /nfs/dbraw/zinc/06/25/53/309062553.db2.gz VGPOTWZMSNNRSH-QKLQHJQFSA-N 2 2 339.483 3.446 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000414129696 309062554 /nfs/dbraw/zinc/06/25/54/309062554.db2.gz VGPOTWZMSNNRSH-QKLQHJQFSA-N 2 2 339.483 3.446 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000153345695 307771273 /nfs/dbraw/zinc/77/12/73/307771273.db2.gz PUJXXJYQPYSIMM-ZIAGYGMSSA-N 2 2 346.393 3.204 20 0 EGADLP CC(C)CO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000156669239 307836708 /nfs/dbraw/zinc/83/67/08/307836708.db2.gz GLTDTFPSWWYLFT-PMACEKPBSA-N 2 2 345.531 3.475 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)n1C ZINC000414361828 309075134 /nfs/dbraw/zinc/07/51/34/309075134.db2.gz DACIDANWOAFUFJ-UHFFFAOYSA-N 2 2 334.414 3.323 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000414366990 309075520 /nfs/dbraw/zinc/07/55/20/309075520.db2.gz DCKNKYRZAYHEPW-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000414366990 309075521 /nfs/dbraw/zinc/07/55/21/309075521.db2.gz DCKNKYRZAYHEPW-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000414366990 309075522 /nfs/dbraw/zinc/07/55/22/309075522.db2.gz DCKNKYRZAYHEPW-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000414366990 309075523 /nfs/dbraw/zinc/07/55/23/309075523.db2.gz DCKNKYRZAYHEPW-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000414372118 309075964 /nfs/dbraw/zinc/07/59/64/309075964.db2.gz OXCCIUWZXUKUCJ-OAHLLOKOSA-N 2 2 339.418 3.423 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000414372118 309075965 /nfs/dbraw/zinc/07/59/65/309075965.db2.gz OXCCIUWZXUKUCJ-OAHLLOKOSA-N 2 2 339.418 3.423 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248389097 308001754 /nfs/dbraw/zinc/00/17/54/308001754.db2.gz RRJFQWNFPBWRFY-HKUYNNGSSA-N 2 2 334.479 3.191 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248389097 308001755 /nfs/dbraw/zinc/00/17/55/308001755.db2.gz RRJFQWNFPBWRFY-HKUYNNGSSA-N 2 2 334.479 3.191 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862312 308073659 /nfs/dbraw/zinc/07/36/59/308073659.db2.gz CNXMRKGVCIELDQ-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862312 308073661 /nfs/dbraw/zinc/07/36/61/308073661.db2.gz CNXMRKGVCIELDQ-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862312 308073662 /nfs/dbraw/zinc/07/36/62/308073662.db2.gz CNXMRKGVCIELDQ-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000292862312 308073664 /nfs/dbraw/zinc/07/36/64/308073664.db2.gz CNXMRKGVCIELDQ-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000293762201 308159661 /nfs/dbraw/zinc/15/96/61/308159661.db2.gz ZDYHPFAOHAAMPB-UHFFFAOYSA-N 2 2 331.366 3.280 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000295170039 308299013 /nfs/dbraw/zinc/29/90/13/308299013.db2.gz LHNTXJXLWCYXKC-UHFFFAOYSA-N 2 2 341.503 3.272 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@H](C)c1nc2ccccc2s1 ZINC000295199773 308302055 /nfs/dbraw/zinc/30/20/55/308302055.db2.gz YNISARWPJBLQKU-HRCADAONSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@H](C)c1nc2ccccc2s1 ZINC000295199773 308302056 /nfs/dbraw/zinc/30/20/56/308302056.db2.gz YNISARWPJBLQKU-HRCADAONSA-N 2 2 347.528 3.225 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1 ZINC000295325697 308314811 /nfs/dbraw/zinc/31/48/11/308314811.db2.gz ZIHPMPAWNZJWSC-UHFFFAOYSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000295895199 308372142 /nfs/dbraw/zinc/37/21/42/308372142.db2.gz IKFPYVDBZFEJRX-IRXDYDNUSA-N 2 2 332.517 3.396 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(F)c1Br)Cn1cc[nH+]c1 ZINC000296546148 308439394 /nfs/dbraw/zinc/43/93/94/308439394.db2.gz UFHSSBNTPFCVAI-LLVKDONJSA-N 2 2 326.213 3.211 20 0 EGADLP CCCNC(=O)CCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000297935777 308573659 /nfs/dbraw/zinc/57/36/59/308573659.db2.gz AAGJQQHOISBWDG-UHFFFAOYSA-N 2 2 342.487 3.288 20 0 EGADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414792504 309101645 /nfs/dbraw/zinc/10/16/45/309101645.db2.gz RZZMJBAHCWWLOM-UHFFFAOYSA-N 2 2 325.186 3.436 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC12CCOCC2 ZINC000414792760 309101675 /nfs/dbraw/zinc/10/16/75/309101675.db2.gz SEVLHFYEGBGLTO-CQSZACIVSA-N 2 2 349.525 3.059 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC12CCOCC2 ZINC000414792760 309101676 /nfs/dbraw/zinc/10/16/76/309101676.db2.gz SEVLHFYEGBGLTO-CQSZACIVSA-N 2 2 349.525 3.059 20 0 EGADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414809480 309102847 /nfs/dbraw/zinc/10/28/47/309102847.db2.gz UGQUYIKSXWZADX-DNVCBOLYSA-N 3 2 335.923 3.412 20 0 EGADLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)C(C)(C)C[NH+](C)C ZINC000301543657 308704536 /nfs/dbraw/zinc/70/45/36/308704536.db2.gz DFPDOYLTRCKLQZ-CQSZACIVSA-N 2 2 338.459 3.204 20 0 EGADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(NC2CC2)[nH+]cn1 ZINC000413177202 309019818 /nfs/dbraw/zinc/01/98/18/309019818.db2.gz VQKOMKPROHRTRQ-QGZVFWFLSA-N 2 2 337.471 3.009 20 0 EGADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(NC2CC2)[nH+]cn1 ZINC000413177202 309019819 /nfs/dbraw/zinc/01/98/19/309019819.db2.gz VQKOMKPROHRTRQ-QGZVFWFLSA-N 2 2 337.471 3.009 20 0 EGADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(NC2CC2)nc[nH+]1 ZINC000413177202 309019820 /nfs/dbraw/zinc/01/98/20/309019820.db2.gz VQKOMKPROHRTRQ-QGZVFWFLSA-N 2 2 337.471 3.009 20 0 EGADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(NC2CC2)nc[nH+]1 ZINC000413177202 309019821 /nfs/dbraw/zinc/01/98/21/309019821.db2.gz VQKOMKPROHRTRQ-QGZVFWFLSA-N 2 2 337.471 3.009 20 0 EGADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414867630 309106397 /nfs/dbraw/zinc/10/63/97/309106397.db2.gz GUADULQQRRDFSA-MLGOLLRUSA-N 2 2 349.272 3.321 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(C)ccc2OC)cc1 ZINC000414876218 309106728 /nfs/dbraw/zinc/10/67/28/309106728.db2.gz CXXKHDMFQHABIL-VQTJNVASSA-N 2 2 340.467 3.248 20 0 EGADLP Cc1cc(Br)cc(C[NH2+]C[C@H]([NH3+])C2CC2)c1OC(F)F ZINC000414892569 309107736 /nfs/dbraw/zinc/10/77/36/309107736.db2.gz QDGGXMOOHUYUGW-LBPRGKRZSA-N 2 2 349.219 3.186 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895063 309107893 /nfs/dbraw/zinc/10/78/93/309107893.db2.gz VPAKWIFGWXXWLV-SFHVURJKSA-N 2 2 326.488 3.056 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CCC[NH2+]1 ZINC000414938907 309110205 /nfs/dbraw/zinc/11/02/05/309110205.db2.gz FQLJPCWDVNHIAR-HXUWFJFHSA-N 2 2 341.455 3.041 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414978225 309112439 /nfs/dbraw/zinc/11/24/39/309112439.db2.gz SVIRQELXJIDUEL-GOSISDBHSA-N 3 2 335.923 3.426 20 0 EGADLP CCCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])CC)cc1OC ZINC000414988388 309113008 /nfs/dbraw/zinc/11/30/08/309113008.db2.gz ZUMMUMQHJMSAEN-LBPRGKRZSA-N 2 2 345.281 3.073 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000415009543 309114049 /nfs/dbraw/zinc/11/40/49/309114049.db2.gz UGDDUZVHFZUKRM-OCCSQVGLSA-N 2 2 339.867 3.419 20 0 EGADLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OCC ZINC000415053132 309116783 /nfs/dbraw/zinc/11/67/83/309116783.db2.gz ODQXOFZRLCRRSY-RBUKOAKNSA-N 2 2 340.467 3.329 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000415058635 309117486 /nfs/dbraw/zinc/11/74/86/309117486.db2.gz WDYFFQMNRTXVJW-CYBMUJFWSA-N 2 2 328.382 3.055 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415127570 309122398 /nfs/dbraw/zinc/12/23/98/309122398.db2.gz IRKZXCNUQUKKED-UHFFFAOYSA-N 3 2 337.511 3.387 20 0 EGADLP C[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C[NH3+] ZINC000415188876 309125569 /nfs/dbraw/zinc/12/55/69/309125569.db2.gz RTHBLKUWSKGRCG-CABCVRRESA-N 2 2 340.427 3.323 20 0 EGADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415194019 309125803 /nfs/dbraw/zinc/12/58/03/309125803.db2.gz ZLBHCARYKDKIPA-HIFRSBDPSA-N 2 2 326.400 3.123 20 0 EGADLP Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000415432996 309133341 /nfs/dbraw/zinc/13/33/41/309133341.db2.gz HSVBOTNQQONSSB-KUHUBIRLSA-N 2 2 345.491 3.018 20 0 EGADLP Cc1cc(NC(=O)NC2(C[NH3+])CCCC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000415435322 309133423 /nfs/dbraw/zinc/13/34/23/309133423.db2.gz JFISTPDMJAWTSY-HNNXBMFYSA-N 2 2 345.491 3.162 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000415439983 309133523 /nfs/dbraw/zinc/13/35/23/309133523.db2.gz DYXCLAFKEOVPRE-ARFHVFGLSA-N 2 2 345.491 3.018 20 0 EGADLP CCn1cncc1C[N@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417813987 309223748 /nfs/dbraw/zinc/22/37/48/309223748.db2.gz QKVJNSXMPFIXPR-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cncc1C[N@@H+](CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417813987 309223749 /nfs/dbraw/zinc/22/37/49/309223749.db2.gz QKVJNSXMPFIXPR-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cncc1C[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417813987 309223750 /nfs/dbraw/zinc/22/37/50/309223750.db2.gz QKVJNSXMPFIXPR-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cncc1C[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417813987 309223751 /nfs/dbraw/zinc/22/37/51/309223751.db2.gz QKVJNSXMPFIXPR-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCN(Cc1c[nH+]cn1CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417813987 309223752 /nfs/dbraw/zinc/22/37/52/309223752.db2.gz QKVJNSXMPFIXPR-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCN(Cc1c[nH+]cn1CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417813987 309223753 /nfs/dbraw/zinc/22/37/53/309223753.db2.gz QKVJNSXMPFIXPR-LJQANCHMSA-N 2 2 326.488 3.247 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419298105 309263558 /nfs/dbraw/zinc/26/35/58/309263558.db2.gz VJLQFDSHDFLKDT-HNNXBMFYSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C3CC3)cs2)cc1OC ZINC000420291897 309279737 /nfs/dbraw/zinc/27/97/37/309279737.db2.gz OJAAYZAXGHAABV-SFHVURJKSA-N 2 2 347.484 3.044 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301872 309280347 /nfs/dbraw/zinc/28/03/47/309280347.db2.gz VZKPAKGOAFHFIR-HNAYVOBHSA-N 2 2 341.430 3.047 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301872 309280348 /nfs/dbraw/zinc/28/03/48/309280348.db2.gz VZKPAKGOAFHFIR-HNAYVOBHSA-N 2 2 341.430 3.047 20 0 EGADLP CCC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)C1CC[NH2+]CC1 ZINC000420308640 309280971 /nfs/dbraw/zinc/28/09/71/309280971.db2.gz DEEHWROYRMUAFI-UHFFFAOYSA-N 2 2 344.459 3.018 20 0 EGADLP CCC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)C1CC[NH2+]CC1 ZINC000420308640 309280972 /nfs/dbraw/zinc/28/09/72/309280972.db2.gz DEEHWROYRMUAFI-UHFFFAOYSA-N 2 2 344.459 3.018 20 0 EGADLP CCC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CC[NH2+]CC1 ZINC000420328163 309282641 /nfs/dbraw/zinc/28/26/41/309282641.db2.gz ZMNBEMUZBPYIOH-UHFFFAOYSA-N 2 2 347.894 3.100 20 0 EGADLP CCC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C1CC[NH2+]CC1 ZINC000420328163 309282642 /nfs/dbraw/zinc/28/26/42/309282642.db2.gz ZMNBEMUZBPYIOH-UHFFFAOYSA-N 2 2 347.894 3.100 20 0 EGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420379673 309285292 /nfs/dbraw/zinc/28/52/92/309285292.db2.gz NEXOOKAORKYWTH-SJLPKXTDSA-N 2 2 337.467 3.209 20 0 EGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000420379673 309285293 /nfs/dbraw/zinc/28/52/93/309285293.db2.gz NEXOOKAORKYWTH-SJLPKXTDSA-N 2 2 337.467 3.209 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000420392156 309286012 /nfs/dbraw/zinc/28/60/12/309286012.db2.gz UKFHABHXMQQIMD-NEPJUHHUSA-N 2 2 346.302 3.100 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000420392156 309286013 /nfs/dbraw/zinc/28/60/13/309286013.db2.gz UKFHABHXMQQIMD-NEPJUHHUSA-N 2 2 346.302 3.100 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000420410696 309286954 /nfs/dbraw/zinc/28/69/54/309286954.db2.gz RFEFRMYZFOMGSC-QEJZJMRPSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000420410696 309286955 /nfs/dbraw/zinc/28/69/55/309286955.db2.gz RFEFRMYZFOMGSC-QEJZJMRPSA-N 2 2 337.895 3.201 20 0 EGADLP COc1ccccc1C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902861 309300089 /nfs/dbraw/zinc/30/00/89/309300089.db2.gz NKMDAYQVUBLATF-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP COc1ccccc1C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902861 309300090 /nfs/dbraw/zinc/30/00/90/309300090.db2.gz NKMDAYQVUBLATF-UHFFFAOYSA-N 2 2 340.467 3.159 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000420903627 309300115 /nfs/dbraw/zinc/30/01/15/309300115.db2.gz BGWGAKMEXPWBEC-WOJBJXKFSA-N 2 2 346.540 3.379 20 0 EGADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000420903627 309300116 /nfs/dbraw/zinc/30/01/16/309300116.db2.gz BGWGAKMEXPWBEC-WOJBJXKFSA-N 2 2 346.540 3.379 20 0 EGADLP c1cc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)ccn1 ZINC000420935364 309302577 /nfs/dbraw/zinc/30/25/77/309302577.db2.gz JXEIANZSSQVYKC-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)ccn1 ZINC000420935364 309302578 /nfs/dbraw/zinc/30/25/78/309302578.db2.gz JXEIANZSSQVYKC-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP Cc1cnc(C(C)(C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420938573 309302770 /nfs/dbraw/zinc/30/27/70/309302770.db2.gz MICNYXVXEPZJGW-UHFFFAOYSA-N 2 2 345.512 3.309 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)n2)cc1 ZINC000422625999 309362783 /nfs/dbraw/zinc/36/27/83/309362783.db2.gz CYRKRIFOICMFON-KEYYUXOJSA-N 2 2 328.460 3.104 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)n2)cc1 ZINC000422625999 309362784 /nfs/dbraw/zinc/36/27/84/309362784.db2.gz CYRKRIFOICMFON-KEYYUXOJSA-N 2 2 328.460 3.104 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715350 309364466 /nfs/dbraw/zinc/36/44/66/309364466.db2.gz JDZOECJSSVWPRO-NJDAHSKKSA-N 3 2 345.506 3.300 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422715352 309364649 /nfs/dbraw/zinc/36/46/49/309364649.db2.gz JDZOECJSSVWPRO-PWRODBHTSA-N 3 2 345.506 3.300 20 0 EGADLP [NH3+][C@H]1CCCCC[C@@H]1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000422722607 309365024 /nfs/dbraw/zinc/36/50/24/309365024.db2.gz PMBZIKDGLJLZDB-OALUTQOASA-N 2 2 337.458 3.179 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422723072 309365089 /nfs/dbraw/zinc/36/50/89/309365089.db2.gz ZNRSIBXXZHKMNX-PBHICJAKSA-N 2 2 327.428 3.152 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422762171 309367051 /nfs/dbraw/zinc/36/70/51/309367051.db2.gz RXMALDVGWBSWQD-UZLBHIALSA-N 3 2 336.483 3.283 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422793080 309368478 /nfs/dbraw/zinc/36/84/78/309368478.db2.gz XUVDXHAQKAUKGH-MMOPVJDHSA-N 2 2 342.458 3.466 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422791494 309368495 /nfs/dbraw/zinc/36/84/95/309368495.db2.gz QFVGTQMDVKTHTQ-UZLBHIALSA-N 2 2 326.488 3.168 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422795165 309368675 /nfs/dbraw/zinc/36/86/75/309368675.db2.gz ZSJSIFOVNSUTDC-QRWLVFNGSA-N 3 2 326.488 3.111 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccnc2OCC(F)(F)F)c2ccccc21 ZINC000422827498 309370528 /nfs/dbraw/zinc/37/05/28/309370528.db2.gz NBXFHHOYVYPCOF-CABCVRRESA-N 2 2 337.345 3.257 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000422870143 309372866 /nfs/dbraw/zinc/37/28/66/309372866.db2.gz BDNJJHYQKYBADL-YSGRDPCXSA-N 2 2 328.431 3.272 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000422893035 309374732 /nfs/dbraw/zinc/37/47/32/309374732.db2.gz OGOQAJDDOGXZRR-YLJYHZDGSA-N 3 2 333.520 3.027 20 0 EGADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CCC3)cc1 ZINC000422904259 309375332 /nfs/dbraw/zinc/37/53/32/309375332.db2.gz GOBSNJOKSHEVEJ-HIFRSBDPSA-N 2 2 329.469 3.148 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422909062 309375521 /nfs/dbraw/zinc/37/55/21/309375521.db2.gz ZRAFQOFESCACDZ-UMVBOHGHSA-N 2 2 346.393 3.045 20 0 EGADLP Cc1sc(CC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000422932091 309376833 /nfs/dbraw/zinc/37/68/33/309376833.db2.gz YTIKFNAZLDAPQY-RHSMWYFYSA-N 2 2 345.512 3.018 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422938738 309377257 /nfs/dbraw/zinc/37/72/57/309377257.db2.gz FDWQPLGCCQIUFF-FZMZJTMJSA-N 2 2 327.266 3.078 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422942837 309377291 /nfs/dbraw/zinc/37/72/91/309377291.db2.gz QGNMRBOCGCNYQG-QMMLZNLJSA-N 3 2 329.532 3.047 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422942837 309377292 /nfs/dbraw/zinc/37/72/92/309377292.db2.gz QGNMRBOCGCNYQG-QMMLZNLJSA-N 3 2 329.532 3.047 20 0 EGADLP C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422972976 309378875 /nfs/dbraw/zinc/37/88/75/309378875.db2.gz NHUBMTJDPPUSFD-APWZRJJASA-N 2 2 325.456 3.281 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423029747 309381846 /nfs/dbraw/zinc/38/18/46/309381846.db2.gz VIHWSHBRTCVPHW-JFTQMJAMSA-N 3 2 339.886 3.189 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423029747 309381847 /nfs/dbraw/zinc/38/18/47/309381847.db2.gz VIHWSHBRTCVPHW-JFTQMJAMSA-N 3 2 339.886 3.189 20 0 EGADLP O=C1CCN1c1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423114242 309386697 /nfs/dbraw/zinc/38/66/97/309386697.db2.gz ZBHYPAYUWYUCDU-UYAOXDASSA-N 2 2 335.451 3.006 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)sc1Br ZINC000423163902 309388849 /nfs/dbraw/zinc/38/88/49/309388849.db2.gz WCFDYWLELBHHDO-GRYCIOLGSA-N 2 2 344.322 3.224 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000423264987 309393043 /nfs/dbraw/zinc/39/30/43/309393043.db2.gz QLBJMWBVNYEKFA-JXFKEZNVSA-N 2 2 326.488 3.490 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423270484 309393279 /nfs/dbraw/zinc/39/32/79/309393279.db2.gz WWTSKBXUQHNBHA-SCLBCKFNSA-N 2 2 333.476 3.212 20 0 EGADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000423296794 309394270 /nfs/dbraw/zinc/39/42/70/309394270.db2.gz ZWBABHPIVJVLCC-LIRRHRJNSA-N 2 2 338.430 3.458 20 0 EGADLP C[C@]1(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000423326541 309395269 /nfs/dbraw/zinc/39/52/69/309395269.db2.gz CJVBWPXIZBWKFZ-OALUTQOASA-N 2 2 331.410 3.429 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2cnccc2C)cc1 ZINC000423347193 309396391 /nfs/dbraw/zinc/39/63/91/309396391.db2.gz ZSXUJHQWDMTMBM-ZAAXVRCTSA-N 2 2 325.456 3.195 20 0 EGADLP [NH3+][C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cscn1 ZINC000423359900 309396903 /nfs/dbraw/zinc/39/69/03/309396903.db2.gz PVPOJQLSKHSGTB-QGZVFWFLSA-N 2 2 344.484 3.158 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000423550875 309406085 /nfs/dbraw/zinc/40/60/85/309406085.db2.gz FZWZVHSOADWDGP-KRWDZBQOSA-N 3 2 347.572 3.101 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423823970 309414908 /nfs/dbraw/zinc/41/49/08/309414908.db2.gz VFACCEJFRMDKNK-MRXNPFEDSA-N 2 2 349.544 3.253 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC([NH3+])CC1 ZINC000430670008 309614338 /nfs/dbraw/zinc/61/43/38/309614338.db2.gz VDBZFLGBOQBVSK-VIFPVBQESA-N 2 2 349.784 3.109 20 0 EGADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430918309 309620946 /nfs/dbraw/zinc/62/09/46/309620946.db2.gz MPWAGBBOOQUIEE-HZPDHXFCSA-N 2 2 339.483 3.089 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000435997661 309744565 /nfs/dbraw/zinc/74/45/65/309744565.db2.gz UGZITZFGEXECKA-QGZVFWFLSA-N 2 2 332.492 3.077 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CSC[NH2+]3)n2)c1 ZINC000442750151 309886201 /nfs/dbraw/zinc/88/62/01/309886201.db2.gz OGSIAJPCGSVEQN-OAHLLOKOSA-N 2 2 330.457 3.058 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(F)cc2)n1 ZINC000449013823 310029015 /nfs/dbraw/zinc/02/90/15/310029015.db2.gz FLHACSQFAUQRJB-OAHLLOKOSA-N 2 2 339.418 3.329 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc(F)cc2)n1 ZINC000449013823 310029016 /nfs/dbraw/zinc/02/90/16/310029016.db2.gz FLHACSQFAUQRJB-OAHLLOKOSA-N 2 2 339.418 3.329 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449086317 310035925 /nfs/dbraw/zinc/03/59/25/310035925.db2.gz CASWHWHGLRUXNS-LJQANCHMSA-N 2 2 332.463 3.481 20 0 EGADLP CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449377990 310057470 /nfs/dbraw/zinc/05/74/70/310057470.db2.gz CFLPKJVYBUVTMM-AWEZNQCLSA-N 2 2 327.350 3.319 20 0 EGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388235 310058232 /nfs/dbraw/zinc/05/82/32/310058232.db2.gz ORNZURSSDOMSHN-WMLDXEAASA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388235 310058233 /nfs/dbraw/zinc/05/82/33/310058233.db2.gz ORNZURSSDOMSHN-WMLDXEAASA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388236 310058303 /nfs/dbraw/zinc/05/83/03/310058303.db2.gz ORNZURSSDOMSHN-YOEHRIQHSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000449388236 310058304 /nfs/dbraw/zinc/05/83/04/310058304.db2.gz ORNZURSSDOMSHN-YOEHRIQHSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394855 310058514 /nfs/dbraw/zinc/05/85/14/310058514.db2.gz HFXSPPQNUOPDHN-APIJFGDWSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394855 310058515 /nfs/dbraw/zinc/05/85/15/310058515.db2.gz HFXSPPQNUOPDHN-APIJFGDWSA-N 2 2 342.936 3.330 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000449481854 310065669 /nfs/dbraw/zinc/06/56/69/310065669.db2.gz WEGPRQVKURLVDA-JFIYKMOQSA-N 2 2 344.890 3.074 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000449481854 310065670 /nfs/dbraw/zinc/06/56/70/310065670.db2.gz WEGPRQVKURLVDA-JFIYKMOQSA-N 2 2 344.890 3.074 20 0 EGADLP Cc1ccc(F)c(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000449554067 310071574 /nfs/dbraw/zinc/07/15/74/310071574.db2.gz ORVTZUHEYSKIGA-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP Cc1ccc(F)c(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000449554712 310071579 /nfs/dbraw/zinc/07/15/79/310071579.db2.gz PLXHTEVELVTKRI-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)n2c1 ZINC000449645676 310077170 /nfs/dbraw/zinc/07/71/70/310077170.db2.gz KZPQALXXFWIMNL-CVEARBPZSA-N 2 2 348.450 3.099 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000449649762 310077554 /nfs/dbraw/zinc/07/75/54/310077554.db2.gz XLGQVACLWBUKJE-CVEARBPZSA-N 2 2 343.515 3.205 20 0 EGADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000449714881 310082157 /nfs/dbraw/zinc/08/21/57/310082157.db2.gz AIXWHMMXTKVKGZ-TZMCWYRMSA-N 2 2 345.830 3.385 20 0 EGADLP COCCC[NH+]1CCC(Nc2[nH+]ccc3c(OC)cccc32)CC1 ZINC000450305012 310114277 /nfs/dbraw/zinc/11/42/77/310114277.db2.gz OSHRWSYIUHPRCL-UHFFFAOYSA-N 2 2 329.444 3.156 20 0 EGADLP COc1cccc2c1cc[nH+]c2N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000450392953 310119844 /nfs/dbraw/zinc/11/98/44/310119844.db2.gz PHKXNFHXEAKHPO-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450769944 310141857 /nfs/dbraw/zinc/14/18/57/310141857.db2.gz YVVCISBQSNMQDC-ZBFHGGJFSA-N 2 2 346.441 3.436 20 0 EGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000452051744 310209492 /nfs/dbraw/zinc/20/94/92/310209492.db2.gz MJNAWRYLFTUQPE-NJDAHSKKSA-N 2 2 346.515 3.215 20 0 EGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000452051744 310209493 /nfs/dbraw/zinc/20/94/93/310209493.db2.gz MJNAWRYLFTUQPE-NJDAHSKKSA-N 2 2 346.515 3.215 20 0 EGADLP Cc1ncsc1CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121597 310213453 /nfs/dbraw/zinc/21/34/53/310213453.db2.gz SZZNPDWJUWPDDL-UHFFFAOYSA-N 2 2 335.439 3.343 20 0 EGADLP Cc1ncsc1CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121597 310213454 /nfs/dbraw/zinc/21/34/54/310213454.db2.gz SZZNPDWJUWPDDL-UHFFFAOYSA-N 2 2 335.439 3.343 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000453077952 310256437 /nfs/dbraw/zinc/25/64/37/310256437.db2.gz WUJOSHWBRKWSCP-QGZVFWFLSA-N 2 2 327.407 3.022 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453107854 310258448 /nfs/dbraw/zinc/25/84/48/310258448.db2.gz MRAFNQZQTUXQPU-IHPCNDPISA-N 2 2 326.488 3.333 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000453107854 310258449 /nfs/dbraw/zinc/25/84/49/310258449.db2.gz MRAFNQZQTUXQPU-IHPCNDPISA-N 2 2 326.488 3.333 20 0 EGADLP CCCC[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453124130 310259565 /nfs/dbraw/zinc/25/95/65/310259565.db2.gz PXDZCBHWJDZCCX-KRWDZBQOSA-N 2 2 334.895 3.484 20 0 EGADLP CCCC[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453124130 310259566 /nfs/dbraw/zinc/25/95/66/310259566.db2.gz PXDZCBHWJDZCCX-KRWDZBQOSA-N 2 2 334.895 3.484 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263530 310267787 /nfs/dbraw/zinc/26/77/87/310267787.db2.gz UFVGSKAEHAXSQR-RDJZCZTQSA-N 2 2 342.430 3.176 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)F)cc1 ZINC000453263530 310267788 /nfs/dbraw/zinc/26/77/88/310267788.db2.gz UFVGSKAEHAXSQR-RDJZCZTQSA-N 2 2 342.430 3.176 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273171 310268354 /nfs/dbraw/zinc/26/83/54/310268354.db2.gz VLDVWESXWUEVPX-UTKZUKDTSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273171 310268355 /nfs/dbraw/zinc/26/83/55/310268355.db2.gz VLDVWESXWUEVPX-UTKZUKDTSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000453395380 310274684 /nfs/dbraw/zinc/27/46/84/310274684.db2.gz JOYXECADQKVJKS-PXNSSMCTSA-N 2 2 331.504 3.088 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000453395380 310274685 /nfs/dbraw/zinc/27/46/85/310274685.db2.gz JOYXECADQKVJKS-PXNSSMCTSA-N 2 2 331.504 3.088 20 0 EGADLP Cc1cc(Br)c(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)s1 ZINC000453576022 310282392 /nfs/dbraw/zinc/28/23/92/310282392.db2.gz UMHDDHSHJLLDDU-NSHDSACASA-N 2 2 347.322 3.019 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000455476228 310362664 /nfs/dbraw/zinc/36/26/64/310362664.db2.gz SPRNBMQUHABUEN-INIZCTEOSA-N 2 2 349.523 3.021 20 0 EGADLP Cc1cc(N2CC[NH+](CCc3ccccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000469229926 310701781 /nfs/dbraw/zinc/70/17/81/310701781.db2.gz IYOCHHYUDZFKQH-UHFFFAOYSA-N 2 2 342.462 3.412 20 0 EGADLP Cc1ccc2[nH]c(C[NH2+]CCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c1C ZINC000472055492 310757775 /nfs/dbraw/zinc/75/77/75/310757775.db2.gz ZWCFJUFWPKGNSL-HOTGVXAUSA-N 2 2 329.488 3.374 20 0 EGADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488928 311025949 /nfs/dbraw/zinc/02/59/49/311025949.db2.gz TYXOIACSHDKXDW-PBHICJAKSA-N 2 2 325.412 3.319 20 0 EGADLP Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1Oc1cc[nH+]cc1 ZINC000487488928 311025950 /nfs/dbraw/zinc/02/59/50/311025950.db2.gz TYXOIACSHDKXDW-PBHICJAKSA-N 2 2 325.412 3.319 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524731 311027337 /nfs/dbraw/zinc/02/73/37/311027337.db2.gz STJXHIYGHNKWQZ-RDTXWAMCSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000487524731 311027339 /nfs/dbraw/zinc/02/73/39/311027339.db2.gz STJXHIYGHNKWQZ-RDTXWAMCSA-N 2 2 338.455 3.023 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414674 311064545 /nfs/dbraw/zinc/06/45/45/311064545.db2.gz HKGOVGRXDHKZER-ZBFHGGJFSA-N 2 2 328.566 3.386 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491064191 311163041 /nfs/dbraw/zinc/16/30/41/311163041.db2.gz XJSRBUNNBKNVJO-LJQANCHMSA-N 2 2 337.552 3.223 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491064191 311163042 /nfs/dbraw/zinc/16/30/42/311163042.db2.gz XJSRBUNNBKNVJO-LJQANCHMSA-N 2 2 337.552 3.223 20 0 EGADLP CC(C)(C)OC1CC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000491356962 311175248 /nfs/dbraw/zinc/17/52/48/311175248.db2.gz UDMOYQBRMVYAEA-UHFFFAOYSA-N 2 2 345.531 3.134 20 0 EGADLP CCCc1csc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000492150221 311221418 /nfs/dbraw/zinc/22/14/18/311221418.db2.gz IAMQEBIOMUQDNS-INIZCTEOSA-N 2 2 345.516 3.243 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000492290160 311234416 /nfs/dbraw/zinc/23/44/16/311234416.db2.gz GNMSFBPMBWRGNY-RDJZCZTQSA-N 2 2 344.528 3.457 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000492290160 311234417 /nfs/dbraw/zinc/23/44/17/311234417.db2.gz GNMSFBPMBWRGNY-RDJZCZTQSA-N 2 2 344.528 3.457 20 0 EGADLP O=C(/C=C\c1cc(F)c(F)c(F)c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492614310 311271493 /nfs/dbraw/zinc/27/14/93/311271493.db2.gz FQSJOKMRQWPXOU-UPHRSURJSA-N 2 2 344.296 3.337 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)/C=C\c2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC000493120626 311330412 /nfs/dbraw/zinc/33/04/12/311330412.db2.gz QNIJIQQFXDZGRG-YDZSZYSISA-N 2 2 338.455 3.203 20 0 EGADLP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494406225 311475394 /nfs/dbraw/zinc/47/53/94/311475394.db2.gz PJSNCJXYJHQRGF-GFCCVEGCSA-N 2 2 340.652 3.404 20 0 EGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494428439 311477224 /nfs/dbraw/zinc/47/72/24/311477224.db2.gz IFAKPBPKVJIGAK-LBPRGKRZSA-N 2 2 326.227 3.303 20 0 EGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494939537 311524740 /nfs/dbraw/zinc/52/47/40/311524740.db2.gz JZWHMAKQMSXCGY-QGTPRVQTSA-N 2 2 329.419 3.095 20 0 EGADLP CC[NH+](CC)CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000496517348 311724175 /nfs/dbraw/zinc/72/41/75/311724175.db2.gz FSBWQAZAZMAZSP-UHFFFAOYSA-N 2 2 327.513 3.001 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496666232 311746771 /nfs/dbraw/zinc/74/67/71/311746771.db2.gz ZNGXYKJQVMPNSC-JYJNAYRXSA-N 2 2 336.480 3.039 20 0 EGADLP Cc1cccn2c(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c[nH+]c12 ZINC000505842502 312036453 /nfs/dbraw/zinc/03/64/53/312036453.db2.gz KSCZALZVBPWVDQ-UXBLZVDNSA-N 2 2 346.478 3.474 20 0 EGADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000506480762 312050376 /nfs/dbraw/zinc/05/03/76/312050376.db2.gz MSLIAYAIHGFQTR-KAXARAQCSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000506480762 312050378 /nfs/dbraw/zinc/05/03/78/312050378.db2.gz MSLIAYAIHGFQTR-KAXARAQCSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506480762 312050381 /nfs/dbraw/zinc/05/03/81/312050381.db2.gz MSLIAYAIHGFQTR-KAXARAQCSA-N 2 2 349.563 3.268 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506480762 312050383 /nfs/dbraw/zinc/05/03/83/312050383.db2.gz MSLIAYAIHGFQTR-KAXARAQCSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507503577 312075004 /nfs/dbraw/zinc/07/50/04/312075004.db2.gz AOQQISKNDLMORR-PSWRPDDJSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507503576 312075068 /nfs/dbraw/zinc/07/50/68/312075068.db2.gz AOQQISKNDLMORR-FVTFTPSCSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142776 312156077 /nfs/dbraw/zinc/15/60/77/312156077.db2.gz GFPMXVWBYXNKJM-BBRMVZONSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142776 312156080 /nfs/dbraw/zinc/15/60/80/312156080.db2.gz GFPMXVWBYXNKJM-BBRMVZONSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142776 312156083 /nfs/dbraw/zinc/15/60/83/312156083.db2.gz GFPMXVWBYXNKJM-BBRMVZONSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@@H]1C ZINC000511142776 312156084 /nfs/dbraw/zinc/15/60/84/312156084.db2.gz GFPMXVWBYXNKJM-BBRMVZONSA-N 2 2 338.879 3.431 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000515853643 312300766 /nfs/dbraw/zinc/30/07/66/312300766.db2.gz CMXSFQVAHRKPTQ-OAHLLOKOSA-N 2 2 338.467 3.301 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000515853643 312300767 /nfs/dbraw/zinc/30/07/67/312300767.db2.gz CMXSFQVAHRKPTQ-OAHLLOKOSA-N 2 2 338.467 3.301 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000519111729 312440696 /nfs/dbraw/zinc/44/06/96/312440696.db2.gz WYHWQSFLSVQAND-VFNWGFHPSA-N 2 2 334.467 3.361 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)ccc2n1C ZINC000525211650 312706100 /nfs/dbraw/zinc/70/61/00/312706100.db2.gz VQHGPBLAFHBMKY-GOSISDBHSA-N 2 2 328.460 3.331 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383417 313079590 /nfs/dbraw/zinc/07/95/90/313079590.db2.gz VXUJMHCPLQWVOB-MOPGFXCFSA-N 2 2 345.462 3.479 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528383417 313079591 /nfs/dbraw/zinc/07/95/91/313079591.db2.gz VXUJMHCPLQWVOB-MOPGFXCFSA-N 2 2 345.462 3.479 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000528421569 313089374 /nfs/dbraw/zinc/08/93/74/313089374.db2.gz AJDDQSUDCSEPNQ-KFKAGJAMSA-N 2 2 331.435 3.163 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000528421569 313089376 /nfs/dbraw/zinc/08/93/76/313089376.db2.gz AJDDQSUDCSEPNQ-KFKAGJAMSA-N 2 2 331.435 3.163 20 0 EGADLP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426047 313091571 /nfs/dbraw/zinc/09/15/71/313091571.db2.gz STYZSSXLJGADOK-NSISKUIASA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426047 313091574 /nfs/dbraw/zinc/09/15/74/313091574.db2.gz STYZSSXLJGADOK-NSISKUIASA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426047 313091577 /nfs/dbraw/zinc/09/15/77/313091577.db2.gz STYZSSXLJGADOK-NSISKUIASA-N 2 2 332.463 3.462 20 0 EGADLP CO[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000528426047 313091581 /nfs/dbraw/zinc/09/15/81/313091581.db2.gz STYZSSXLJGADOK-NSISKUIASA-N 2 2 332.463 3.462 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000529662538 313380366 /nfs/dbraw/zinc/38/03/66/313380366.db2.gz HIDZXWWBSCVKBE-UHFFFAOYSA-N 2 2 332.419 3.259 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)O[C@@H](C)C2 ZINC000535079966 314024160 /nfs/dbraw/zinc/02/41/60/314024160.db2.gz IUPGWURUVKIQEN-KBPBESRZSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)O[C@@H](C)C2 ZINC000535079966 314024163 /nfs/dbraw/zinc/02/41/63/314024163.db2.gz IUPGWURUVKIQEN-KBPBESRZSA-N 2 2 327.428 3.121 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000535316395 314040157 /nfs/dbraw/zinc/04/01/57/314040157.db2.gz CCDATIUERMCAFP-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000535316395 314040160 /nfs/dbraw/zinc/04/01/60/314040160.db2.gz CCDATIUERMCAFP-ZDUSSCGKSA-N 2 2 343.818 3.113 20 0 EGADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536605880 314129392 /nfs/dbraw/zinc/12/93/92/314129392.db2.gz GSUAVWOAQUWFFR-CQSZACIVSA-N 2 2 349.438 3.106 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000536883569 314152147 /nfs/dbraw/zinc/15/21/47/314152147.db2.gz WUEZYGXLHMWNJN-PCCBWWKXSA-N 2 2 330.516 3.474 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000536883569 314152150 /nfs/dbraw/zinc/15/21/50/314152150.db2.gz WUEZYGXLHMWNJN-PCCBWWKXSA-N 2 2 330.516 3.474 20 0 EGADLP COc1nc2ccccc2cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000537287415 314172103 /nfs/dbraw/zinc/17/21/03/314172103.db2.gz VSQUNJITILMRDZ-UHFFFAOYSA-N 2 2 325.456 3.350 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000538394459 314244443 /nfs/dbraw/zinc/24/44/43/314244443.db2.gz ATTPQWQOBPXOMA-UWHLTILDSA-N 2 2 342.527 3.472 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000538394459 314244447 /nfs/dbraw/zinc/24/44/47/314244447.db2.gz ATTPQWQOBPXOMA-UWHLTILDSA-N 2 2 342.527 3.472 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000539496523 314317148 /nfs/dbraw/zinc/31/71/48/314317148.db2.gz NCZYJOZYRPWVNM-JKSUJKDBSA-N 2 2 329.488 3.200 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000539496523 314317151 /nfs/dbraw/zinc/31/71/51/314317151.db2.gz NCZYJOZYRPWVNM-JKSUJKDBSA-N 2 2 329.488 3.200 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1)CC(C)C ZINC000540229716 314371235 /nfs/dbraw/zinc/37/12/35/314371235.db2.gz MDBHYYFLPGDNJQ-UHFFFAOYSA-N 2 2 346.519 3.424 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1)CC(C)C ZINC000540229716 314371237 /nfs/dbraw/zinc/37/12/37/314371237.db2.gz MDBHYYFLPGDNJQ-UHFFFAOYSA-N 2 2 346.519 3.424 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)CC3 ZINC000545189371 314739974 /nfs/dbraw/zinc/73/99/74/314739974.db2.gz TXOCHWHBJSPOMZ-INIZCTEOSA-N 2 2 341.499 3.355 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547655515 314922440 /nfs/dbraw/zinc/92/24/40/314922440.db2.gz OMPKHPOIBICMBX-SWLSCSKDSA-N 2 2 339.468 3.376 20 0 EGADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C[NH+](CC)Cc1ccccc1Cl ZINC000550233397 315121313 /nfs/dbraw/zinc/12/13/13/315121313.db2.gz FWYBKPHNNMUFFW-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+](CC)Cc1ccccc1Cl ZINC000550233397 315121316 /nfs/dbraw/zinc/12/13/16/315121316.db2.gz FWYBKPHNNMUFFW-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP CC[C@@H](C)[NH+](C)CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000550233397 315121319 /nfs/dbraw/zinc/12/13/19/315121319.db2.gz FWYBKPHNNMUFFW-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP CC[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000550233397 315121321 /nfs/dbraw/zinc/12/13/21/315121321.db2.gz FWYBKPHNNMUFFW-OAHLLOKOSA-N 2 2 339.911 3.008 20 0 EGADLP CC(C)OC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699694 315163862 /nfs/dbraw/zinc/16/38/62/315163862.db2.gz MBJCQLBBMGPBRG-NRFANRHFSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)OC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699694 315163865 /nfs/dbraw/zinc/16/38/65/315163865.db2.gz MBJCQLBBMGPBRG-NRFANRHFSA-N 2 2 346.515 3.167 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244991 315208352 /nfs/dbraw/zinc/20/83/52/315208352.db2.gz PTDUOEFFYQIFDD-CRAIPNDOSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000552244991 315208354 /nfs/dbraw/zinc/20/83/54/315208354.db2.gz PTDUOEFFYQIFDD-CRAIPNDOSA-N 2 2 334.504 3.407 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000552282858 315210716 /nfs/dbraw/zinc/21/07/16/315210716.db2.gz PWYNAWNXXHPFMI-ICSRJNTNSA-N 2 2 348.450 3.175 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[NH+](CC4CCCCC4)CC3)cn2c1 ZINC000553639768 315274339 /nfs/dbraw/zinc/27/43/39/315274339.db2.gz GJYRXKWRDPEAOG-UHFFFAOYSA-N 2 2 326.488 3.341 20 0 EGADLP CC[C@@H]1CC[C@@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000554349140 315312102 /nfs/dbraw/zinc/31/21/02/315312102.db2.gz JYRJQYWSHRRGAQ-RTWAWAEBSA-N 2 2 329.532 3.363 20 0 EGADLP CC[C@@H]1CC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000554385370 315314764 /nfs/dbraw/zinc/31/47/64/315314764.db2.gz ZWHAQNMHPKGZLL-ZBFHGGJFSA-N 2 2 328.460 3.038 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccc21 ZINC000555168439 315370220 /nfs/dbraw/zinc/37/02/20/315370220.db2.gz UIXGLFZEGPTMHX-MOPGFXCFSA-N 2 2 341.455 3.435 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000556873388 315478403 /nfs/dbraw/zinc/47/84/03/315478403.db2.gz WYKJIQMSIFFANZ-NQIIRXRSSA-N 2 2 338.499 3.029 20 0 EGADLP c1csc([C@@H](C[NH2+][C@H]2COc3ccccc3C2)[NH+]2CCCC2)c1 ZINC000559721829 315643191 /nfs/dbraw/zinc/64/31/91/315643191.db2.gz JCLXLLRRPJERFR-IAGOWNOFSA-N 2 2 328.481 3.478 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC000561018022 315735182 /nfs/dbraw/zinc/73/51/82/315735182.db2.gz QNSKSQHTDISVMP-KRWDZBQOSA-N 2 2 337.427 3.279 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570279 316039611 /nfs/dbraw/zinc/03/96/11/316039611.db2.gz BDULZNVNLWBCMP-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2sccc2Br)C1 ZINC000563570279 316039615 /nfs/dbraw/zinc/03/96/15/316039615.db2.gz BDULZNVNLWBCMP-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2sccc2Br)C1 ZINC000563570279 316039620 /nfs/dbraw/zinc/03/96/20/316039620.db2.gz BDULZNVNLWBCMP-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2sccc2Br)C1 ZINC000563570279 316039622 /nfs/dbraw/zinc/03/96/22/316039622.db2.gz BDULZNVNLWBCMP-DGCLKSJQSA-N 2 2 329.307 3.427 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000564458730 316155924 /nfs/dbraw/zinc/15/59/24/316155924.db2.gz TZGDYILALWDEAV-GDBMZVCRSA-N 2 2 334.489 3.095 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465323 316156222 /nfs/dbraw/zinc/15/62/22/316156222.db2.gz KXRZKAWWIFXDHF-SMDDNHRTSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000564465323 316156226 /nfs/dbraw/zinc/15/62/26/316156226.db2.gz KXRZKAWWIFXDHF-SMDDNHRTSA-N 2 2 349.276 3.151 20 0 EGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)[nH]1 ZINC000564823305 316212739 /nfs/dbraw/zinc/21/27/39/316212739.db2.gz IXSCUVCANRPRMH-XJNFMUPTSA-N 2 2 327.476 3.462 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000565054634 316257350 /nfs/dbraw/zinc/25/73/50/316257350.db2.gz PZLNITJJCHGFIW-HXUWFJFHSA-N 2 2 338.455 3.485 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000565155882 316277011 /nfs/dbraw/zinc/27/70/11/316277011.db2.gz HVHRHDMRJLDLBH-GXTWGEPZSA-N 2 2 326.868 3.449 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000565155882 316277016 /nfs/dbraw/zinc/27/70/16/316277016.db2.gz HVHRHDMRJLDLBH-GXTWGEPZSA-N 2 2 326.868 3.449 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158418 316277369 /nfs/dbraw/zinc/27/73/69/316277369.db2.gz UFBOFWNPCKLNQE-XHDPSFHLSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Br)cc2cccnc21 ZINC000565158418 316277371 /nfs/dbraw/zinc/27/73/71/316277371.db2.gz UFBOFWNPCKLNQE-XHDPSFHLSA-N 2 2 334.261 3.309 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229920 316295236 /nfs/dbraw/zinc/29/52/36/316295236.db2.gz OSYPOKVGKBSZSG-PBMKKYJASA-N 2 2 336.426 3.165 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229920 316295239 /nfs/dbraw/zinc/29/52/39/316295239.db2.gz OSYPOKVGKBSZSG-PBMKKYJASA-N 2 2 336.426 3.165 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)n1C ZINC000565238257 316296999 /nfs/dbraw/zinc/29/69/99/316296999.db2.gz ONVHZVXVCCURFO-UHFFFAOYSA-N 2 2 342.365 3.090 20 0 EGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000565432852 316324048 /nfs/dbraw/zinc/32/40/48/316324048.db2.gz OPMWOYIYECPGIK-MRXNPFEDSA-N 2 2 340.471 3.334 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000565892150 316384032 /nfs/dbraw/zinc/38/40/32/316384032.db2.gz QFEBGMFKRDSOAZ-LLVKDONJSA-N 2 2 329.307 3.342 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000565892150 316384036 /nfs/dbraw/zinc/38/40/36/316384036.db2.gz QFEBGMFKRDSOAZ-LLVKDONJSA-N 2 2 329.307 3.342 20 0 EGADLP CC(C)Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000567707368 316660879 /nfs/dbraw/zinc/66/08/79/316660879.db2.gz RERYXJVOMIUXRC-IRXDYDNUSA-N 2 2 346.437 3.391 20 0 EGADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000569085000 316863368 /nfs/dbraw/zinc/86/33/68/316863368.db2.gz PTTPJCWPIGMPAN-INIZCTEOSA-N 2 2 341.459 3.145 20 0 EGADLP Cc1cccc(C)c1OCCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000570237101 317026536 /nfs/dbraw/zinc/02/65/36/317026536.db2.gz ZEDYALMXMVEQSJ-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP Cc1cccn2cc(CC(=O)Nc3ccc(C[NH+](C)C)cc3F)[nH+]c12 ZINC000570260790 317029280 /nfs/dbraw/zinc/02/92/80/317029280.db2.gz AUCNOPQZZNGIBL-UHFFFAOYSA-N 2 2 340.402 3.025 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cncc(Br)c1 ZINC000570647050 317087323 /nfs/dbraw/zinc/08/73/23/317087323.db2.gz INDAWMKBRBLJHA-LBPRGKRZSA-N 2 2 335.249 3.392 20 0 EGADLP Cc1nc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[nH]c1C ZINC000572135637 317297193 /nfs/dbraw/zinc/29/71/93/317297193.db2.gz HINGWJWDIMYUAQ-GJZGRUSLSA-N 2 2 326.488 3.273 20 0 EGADLP Cc1[nH]c(CNC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)[nH+]c1C ZINC000572135637 317297196 /nfs/dbraw/zinc/29/71/96/317297196.db2.gz HINGWJWDIMYUAQ-GJZGRUSLSA-N 2 2 326.488 3.273 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@@H](O)CCOC(C)C)ccc2n1C1CC1 ZINC000572394586 317332525 /nfs/dbraw/zinc/33/25/25/317332525.db2.gz KCCKVGQMYHDOAF-KRWDZBQOSA-N 2 2 345.487 3.199 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000574392377 317592930 /nfs/dbraw/zinc/59/29/30/317592930.db2.gz SNEOGZWIPRKCCN-LSTHTHJFSA-N 2 2 337.467 3.057 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@H](C)C3)c[nH+]c12 ZINC000273116905 456182963 /nfs/dbraw/zinc/18/29/63/456182963.db2.gz YOXWSKWJTIKECA-YPMHNXCESA-N 2 2 338.249 3.062 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccoc3)cc2)CC1 ZINC000178132960 323351768 /nfs/dbraw/zinc/35/17/68/323351768.db2.gz WXQNOBLPFOHKPZ-KRWDZBQOSA-N 2 2 327.472 3.268 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000390860279 324284861 /nfs/dbraw/zinc/28/48/61/324284861.db2.gz FAHRHBJPBAPVNQ-HXUWFJFHSA-N 3 2 329.532 3.363 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000390860279 324284866 /nfs/dbraw/zinc/28/48/66/324284866.db2.gz FAHRHBJPBAPVNQ-HXUWFJFHSA-N 3 2 329.532 3.363 20 0 EGADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCc3cc[nH+]cc3C)ccc2NC1=O ZINC000575284598 324445806 /nfs/dbraw/zinc/44/58/06/324445806.db2.gz UKATYGDZUPYCNL-KSSFIOAISA-N 2 2 339.439 3.393 20 0 EGADLP [NH3+]C[C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000579931868 325178453 /nfs/dbraw/zinc/17/84/53/325178453.db2.gz PVDNZMHVVPKFQK-AWEZNQCLSA-N 2 2 326.400 3.077 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000580312608 325233249 /nfs/dbraw/zinc/23/32/49/325233249.db2.gz CSJLUIZOZDQZQJ-GUYCJALGSA-N 2 2 329.488 3.345 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@H]2CCC[NH2+]2)cc1 ZINC000580708777 325286522 /nfs/dbraw/zinc/28/65/22/325286522.db2.gz XZUHCONGSCOFTA-FYQPLNBISA-N 2 2 332.488 3.019 20 0 EGADLP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCC[NH2+]1 ZINC000582295454 325430114 /nfs/dbraw/zinc/43/01/14/325430114.db2.gz NHKPMAYRIKNDKG-OXJNMPFZSA-N 2 2 347.466 3.164 20 0 EGADLP CC(=O)N(c1nc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cs1)c1ccc(C)cc1 ZINC000583440560 325524787 /nfs/dbraw/zinc/52/47/87/325524787.db2.gz KUMPXRRYDXWURJ-KGLIPLIRSA-N 2 2 346.500 3.352 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000361036117 457530154 /nfs/dbraw/zinc/53/01/54/457530154.db2.gz JOPSQVQNSZETIP-HNNXBMFYSA-N 2 2 328.909 3.435 20 0 EGADLP FC(F)(F)COCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063508 457557885 /nfs/dbraw/zinc/55/78/85/457557885.db2.gz RNQYRKXTMYUFGB-UHFFFAOYSA-N 2 2 333.398 3.344 20 0 EGADLP FC(F)Oc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000237876492 455227659 /nfs/dbraw/zinc/22/76/59/455227659.db2.gz PNAPVFPADXFDBK-UHFFFAOYSA-N 2 2 333.382 3.442 20 0 EGADLP C[C@@H](C[NH2+]CCCc1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000428280228 458111965 /nfs/dbraw/zinc/11/19/65/458111965.db2.gz FPDGWMDYZFFBEX-AWEZNQCLSA-N 2 2 345.314 3.484 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435628441 458176691 /nfs/dbraw/zinc/17/66/91/458176691.db2.gz QUVULMNGIBAENF-CYBMUJFWSA-N 2 2 344.286 3.396 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000495671913 458914735 /nfs/dbraw/zinc/91/47/35/458914735.db2.gz QWOHIZNUKCMYJP-UHFFFAOYSA-N 2 2 341.540 3.484 20 0 EGADLP CC(C)CN(C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000189885818 455250399 /nfs/dbraw/zinc/25/03/99/455250399.db2.gz HGKMCRLCPXIWIQ-KRWDZBQOSA-N 2 2 342.487 3.416 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H]3c3ccc[nH]3)c2cc1C ZINC000239667445 455262766 /nfs/dbraw/zinc/26/27/66/455262766.db2.gz BQCZRXKJZZQRRZ-LPHOPBHVSA-N 2 2 338.455 3.179 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241630867 455268881 /nfs/dbraw/zinc/26/88/81/455268881.db2.gz PLZAKWKRFLRXOI-CXAGYDPISA-N 2 2 326.843 3.241 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241630867 455268887 /nfs/dbraw/zinc/26/88/87/455268887.db2.gz PLZAKWKRFLRXOI-CXAGYDPISA-N 2 2 326.843 3.241 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000173432853 455281765 /nfs/dbraw/zinc/28/17/65/455281765.db2.gz MAZXXRPHDIHETI-KBPBESRZSA-N 2 2 341.293 3.068 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000173432894 455281865 /nfs/dbraw/zinc/28/18/65/455281865.db2.gz MAZXXRPHDIHETI-ZIAGYGMSSA-N 2 2 341.293 3.068 20 0 EGADLP [NH3+]C1CC[NH+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000631820955 460573887 /nfs/dbraw/zinc/57/38/87/460573887.db2.gz LGDYORDRBSNUBT-UHFFFAOYSA-N 2 2 325.334 3.284 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)co2)cc1F ZINC000631889671 460590022 /nfs/dbraw/zinc/59/00/22/460590022.db2.gz LEWWHHWWBFZOJT-CXAGYDPISA-N 2 2 333.382 3.194 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)co2)cc1F ZINC000631889671 460590029 /nfs/dbraw/zinc/59/00/29/460590029.db2.gz LEWWHHWWBFZOJT-CXAGYDPISA-N 2 2 333.382 3.194 20 0 EGADLP COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616772659 460617095 /nfs/dbraw/zinc/61/70/95/460617095.db2.gz MOKOVYDEEXESSQ-SFHVURJKSA-N 2 2 327.428 3.098 20 0 EGADLP COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000616772659 460617099 /nfs/dbraw/zinc/61/70/99/460617099.db2.gz MOKOVYDEEXESSQ-SFHVURJKSA-N 2 2 327.428 3.098 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572436 453889741 /nfs/dbraw/zinc/88/97/41/453889741.db2.gz VOTYNJXXCODKPS-HKUYNNGSSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572436 453889745 /nfs/dbraw/zinc/88/97/45/453889745.db2.gz VOTYNJXXCODKPS-HKUYNNGSSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572436 453889748 /nfs/dbraw/zinc/88/97/48/453889748.db2.gz VOTYNJXXCODKPS-HKUYNNGSSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572436 453889750 /nfs/dbraw/zinc/88/97/50/453889750.db2.gz VOTYNJXXCODKPS-HKUYNNGSSA-N 2 2 345.531 3.090 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860075 453932367 /nfs/dbraw/zinc/93/23/67/453932367.db2.gz JBJWCMBRQQTEDP-FQEVSTJZSA-N 2 2 345.531 3.379 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860075 453932370 /nfs/dbraw/zinc/93/23/70/453932370.db2.gz JBJWCMBRQQTEDP-FQEVSTJZSA-N 2 2 345.531 3.379 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075860075 453932374 /nfs/dbraw/zinc/93/23/74/453932374.db2.gz JBJWCMBRQQTEDP-FQEVSTJZSA-N 2 2 345.531 3.379 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075860075 453932377 /nfs/dbraw/zinc/93/23/77/453932377.db2.gz JBJWCMBRQQTEDP-FQEVSTJZSA-N 2 2 345.531 3.379 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000076001165 453948045 /nfs/dbraw/zinc/94/80/45/453948045.db2.gz GEULJDKEHXYPJR-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000076001165 453948049 /nfs/dbraw/zinc/94/80/49/453948049.db2.gz GEULJDKEHXYPJR-CQSZACIVSA-N 2 2 338.879 3.275 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000041119715 453957006 /nfs/dbraw/zinc/95/70/06/453957006.db2.gz JPJNDRPRJKSZOE-AWEZNQCLSA-N 2 2 336.233 3.149 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000190862631 455393816 /nfs/dbraw/zinc/39/38/16/455393816.db2.gz RUOMIUXZXCXVGL-UHFFFAOYSA-N 2 2 335.455 3.402 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000077249180 454082076 /nfs/dbraw/zinc/08/20/76/454082076.db2.gz QDECPKSONJDCJW-HXUWFJFHSA-N 2 2 345.531 3.306 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000077249180 454082079 /nfs/dbraw/zinc/08/20/79/454082079.db2.gz QDECPKSONJDCJW-HXUWFJFHSA-N 2 2 345.531 3.306 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069804791 454145950 /nfs/dbraw/zinc/14/59/50/454145950.db2.gz CDMQLLJCRRCHKY-MRXNPFEDSA-N 2 2 342.405 3.250 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069804791 454145953 /nfs/dbraw/zinc/14/59/53/454145953.db2.gz CDMQLLJCRRCHKY-MRXNPFEDSA-N 2 2 342.405 3.250 20 0 EGADLP COc1cccc(CCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000089549594 454161918 /nfs/dbraw/zinc/16/19/18/454161918.db2.gz QWHUDLTWOYZWEL-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000089668001 454175563 /nfs/dbraw/zinc/17/55/63/454175563.db2.gz VSFCSAOGPISSBL-HXUWFJFHSA-N 2 2 325.456 3.023 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131243862 454241592 /nfs/dbraw/zinc/24/15/92/454241592.db2.gz QAISICSXEXXFCR-QZTJIDSGSA-N 2 2 349.906 3.205 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131243862 454241596 /nfs/dbraw/zinc/24/15/96/454241596.db2.gz QAISICSXEXXFCR-QZTJIDSGSA-N 2 2 349.906 3.205 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000095980631 454247961 /nfs/dbraw/zinc/24/79/61/454247961.db2.gz GPRHIELMKKSPHD-TZMCWYRMSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000095980631 454247964 /nfs/dbraw/zinc/24/79/64/454247964.db2.gz GPRHIELMKKSPHD-TZMCWYRMSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000090048287 454266637 /nfs/dbraw/zinc/26/66/37/454266637.db2.gz ZHSVNSMEXYMKPX-FUHWJXTLSA-N 2 2 330.472 3.133 20 0 EGADLP C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090082917 454274890 /nfs/dbraw/zinc/27/48/90/454274890.db2.gz OOEKZHJEZVCJCT-MRXNPFEDSA-N 2 2 329.444 3.109 20 0 EGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000090218122 454294405 /nfs/dbraw/zinc/29/44/05/454294405.db2.gz ZRLNRIQXOFILCR-YXYSEUPNSA-N 2 2 345.531 3.333 20 0 EGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000090218122 454294408 /nfs/dbraw/zinc/29/44/08/454294408.db2.gz ZRLNRIQXOFILCR-YXYSEUPNSA-N 2 2 345.531 3.333 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868274 454353963 /nfs/dbraw/zinc/35/39/63/454353963.db2.gz SLRUHIOIGCYQDM-NSHGMRRFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868274 454353965 /nfs/dbraw/zinc/35/39/65/454353965.db2.gz SLRUHIOIGCYQDM-NSHGMRRFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868274 454353969 /nfs/dbraw/zinc/35/39/69/454353969.db2.gz SLRUHIOIGCYQDM-NSHGMRRFSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868274 454353974 /nfs/dbraw/zinc/35/39/74/454353974.db2.gz SLRUHIOIGCYQDM-NSHGMRRFSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3nccnc3c2)C[N@@H+]1Cc1ccccc1 ZINC000634968771 460633893 /nfs/dbraw/zinc/63/38/93/460633893.db2.gz WVVZAOZYLORGAN-QFBILLFUSA-N 2 2 332.451 3.382 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc3nccnc3c2)C[N@H+]1Cc1ccccc1 ZINC000634968771 460633900 /nfs/dbraw/zinc/63/39/00/460633900.db2.gz WVVZAOZYLORGAN-QFBILLFUSA-N 2 2 332.451 3.382 20 0 EGADLP CC[NH+](CC)CC1CC[NH+](Cc2noc(-c3ccccc3)n2)CC1 ZINC000047978127 454427103 /nfs/dbraw/zinc/42/71/03/454427103.db2.gz DHGQFNOJPGWQHE-UHFFFAOYSA-N 2 2 328.460 3.290 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336992 454429138 /nfs/dbraw/zinc/42/91/38/454429138.db2.gz UOSZMVDPJRSKOW-DLBZAZTESA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336992 454429141 /nfs/dbraw/zinc/42/91/41/454429141.db2.gz UOSZMVDPJRSKOW-DLBZAZTESA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337056 454429262 /nfs/dbraw/zinc/42/92/62/454429262.db2.gz HJDKTGPPMSOHRE-DLBZAZTESA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(C(F)(F)F)c1 ZINC000091337056 454429263 /nfs/dbraw/zinc/42/92/63/454429263.db2.gz HJDKTGPPMSOHRE-DLBZAZTESA-N 2 2 343.437 3.238 20 0 EGADLP O[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000098144174 454462690 /nfs/dbraw/zinc/46/26/90/454462690.db2.gz TVOBIOZZDGOXNB-FGZHOGPDSA-N 2 2 336.479 3.147 20 0 EGADLP O[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000098144174 454462698 /nfs/dbraw/zinc/46/26/98/454462698.db2.gz TVOBIOZZDGOXNB-FGZHOGPDSA-N 2 2 336.479 3.147 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000091893010 454485816 /nfs/dbraw/zinc/48/58/16/454485816.db2.gz CGUZVTYBIQUJMC-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000091893010 454485819 /nfs/dbraw/zinc/48/58/19/454485819.db2.gz CGUZVTYBIQUJMC-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000091893010 454485822 /nfs/dbraw/zinc/48/58/22/454485822.db2.gz CGUZVTYBIQUJMC-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000091893010 454485828 /nfs/dbraw/zinc/48/58/28/454485828.db2.gz CGUZVTYBIQUJMC-MSOLQXFVSA-N 2 2 340.471 3.144 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959980 454495651 /nfs/dbraw/zinc/49/56/51/454495651.db2.gz VMSYZUYYQRLUJQ-XJKSGUPXSA-N 2 2 325.416 3.258 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959980 454495659 /nfs/dbraw/zinc/49/56/59/454495659.db2.gz VMSYZUYYQRLUJQ-XJKSGUPXSA-N 2 2 325.416 3.258 20 0 EGADLP CC[C@H]1C[N@H+](Cc2ccc(OC)c(Br)c2)CC[C@@H]1[NH3+] ZINC000122371888 454527149 /nfs/dbraw/zinc/52/71/49/454527149.db2.gz YIDKAKRLYJYGIC-JSGCOSHPSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(Br)c2)CC[C@@H]1[NH3+] ZINC000122371888 454527150 /nfs/dbraw/zinc/52/71/50/454527150.db2.gz YIDKAKRLYJYGIC-JSGCOSHPSA-N 2 2 327.266 3.017 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000134733568 454584678 /nfs/dbraw/zinc/58/46/78/454584678.db2.gz NIQPHECPXFCIBM-OAHLLOKOSA-N 2 2 346.434 3.462 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000134733568 454584683 /nfs/dbraw/zinc/58/46/83/454584683.db2.gz NIQPHECPXFCIBM-OAHLLOKOSA-N 2 2 346.434 3.462 20 0 EGADLP c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134875257 454600897 /nfs/dbraw/zinc/60/08/97/454600897.db2.gz HYVCVNDJZBXZKF-SJLPKXTDSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2noc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134875257 454600903 /nfs/dbraw/zinc/60/09/03/454600903.db2.gz HYVCVNDJZBXZKF-SJLPKXTDSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134875257 454600906 /nfs/dbraw/zinc/60/09/06/454600906.db2.gz HYVCVNDJZBXZKF-SJLPKXTDSA-N 2 2 338.455 3.185 20 0 EGADLP c1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134875257 454600913 /nfs/dbraw/zinc/60/09/13/454600913.db2.gz HYVCVNDJZBXZKF-SJLPKXTDSA-N 2 2 338.455 3.185 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccccc3F)c2cc1C ZINC000051118158 454608909 /nfs/dbraw/zinc/60/89/09/454608909.db2.gz KEQYLUIUMHOMRP-KRWDZBQOSA-N 2 2 341.430 3.285 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccccc3F)c2cc1C ZINC000051118158 454608913 /nfs/dbraw/zinc/60/89/13/454608913.db2.gz KEQYLUIUMHOMRP-KRWDZBQOSA-N 2 2 341.430 3.285 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000123197723 454614543 /nfs/dbraw/zinc/61/45/43/454614543.db2.gz YBSLKHBEBIZRBZ-HYVNUMGLSA-N 2 2 337.508 3.039 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000123197723 454614548 /nfs/dbraw/zinc/61/45/48/454614548.db2.gz YBSLKHBEBIZRBZ-HYVNUMGLSA-N 2 2 337.508 3.039 20 0 EGADLP Fc1ccc2oc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000093017071 454671297 /nfs/dbraw/zinc/67/12/97/454671297.db2.gz NBPZIDWVDISTQX-OAHLLOKOSA-N 2 2 332.419 3.116 20 0 EGADLP Fc1ccc2oc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000093017071 454671302 /nfs/dbraw/zinc/67/13/02/454671302.db2.gz NBPZIDWVDISTQX-OAHLLOKOSA-N 2 2 332.419 3.116 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000161627189 454708679 /nfs/dbraw/zinc/70/86/79/454708679.db2.gz AMXQXEMODPTYOT-AWEZNQCLSA-N 2 2 345.466 3.240 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)OCCCO2 ZINC000093563636 454720370 /nfs/dbraw/zinc/72/03/70/454720370.db2.gz FVLLVKDFGVIGPC-SFHVURJKSA-N 2 2 330.472 3.298 20 0 EGADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)OCCCO2 ZINC000093563636 454720374 /nfs/dbraw/zinc/72/03/74/454720374.db2.gz FVLLVKDFGVIGPC-SFHVURJKSA-N 2 2 330.472 3.298 20 0 EGADLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000093665175 454727261 /nfs/dbraw/zinc/72/72/61/454727261.db2.gz ALDOGHOAFAXJLO-SFHVURJKSA-N 2 2 340.467 3.409 20 0 EGADLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000093665175 454727264 /nfs/dbraw/zinc/72/72/64/454727264.db2.gz ALDOGHOAFAXJLO-SFHVURJKSA-N 2 2 340.467 3.409 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)OCCCO2 ZINC000152828600 454729647 /nfs/dbraw/zinc/72/96/47/454729647.db2.gz YKQAAAUFNAHOMJ-OAHLLOKOSA-N 2 2 341.455 3.274 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124418545 454729625 /nfs/dbraw/zinc/72/96/25/454729625.db2.gz NWDCFBRJGPSQAN-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124418545 454729629 /nfs/dbraw/zinc/72/96/29/454729629.db2.gz NWDCFBRJGPSQAN-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008653 460651215 /nfs/dbraw/zinc/65/12/15/460651215.db2.gz GDEKNSVJYRCDQC-UTKZUKDTSA-N 3 2 335.495 3.257 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008653 460651222 /nfs/dbraw/zinc/65/12/22/460651222.db2.gz GDEKNSVJYRCDQC-UTKZUKDTSA-N 3 2 335.495 3.257 20 0 EGADLP CC[N@@H+](Cc1cnc2cnccn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818738 454737965 /nfs/dbraw/zinc/73/79/65/454737965.db2.gz FLMWMIYRJXSBNL-IBGZPJMESA-N 2 2 349.482 3.073 20 0 EGADLP CC[N@H+](Cc1cnc2cnccn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818738 454737969 /nfs/dbraw/zinc/73/79/69/454737969.db2.gz FLMWMIYRJXSBNL-IBGZPJMESA-N 2 2 349.482 3.073 20 0 EGADLP CC[NH+](Cc1cnc2cnccn12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818738 454737973 /nfs/dbraw/zinc/73/79/73/454737973.db2.gz FLMWMIYRJXSBNL-IBGZPJMESA-N 2 2 349.482 3.073 20 0 EGADLP CC[NH+](Cc1cnc2cnccn12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818738 454737976 /nfs/dbraw/zinc/73/79/76/454737976.db2.gz FLMWMIYRJXSBNL-IBGZPJMESA-N 2 2 349.482 3.073 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000093865928 454740735 /nfs/dbraw/zinc/74/07/35/454740735.db2.gz ZBDCZOXABBLSSU-KRWDZBQOSA-N 2 2 328.412 3.142 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000093865928 454740737 /nfs/dbraw/zinc/74/07/37/454740737.db2.gz ZBDCZOXABBLSSU-KRWDZBQOSA-N 2 2 328.412 3.142 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC000093865742 454742301 /nfs/dbraw/zinc/74/23/01/454742301.db2.gz ORANHQZPGUXYAB-CQSZACIVSA-N 2 2 338.329 3.475 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC000093865742 454742306 /nfs/dbraw/zinc/74/23/06/454742306.db2.gz ORANHQZPGUXYAB-CQSZACIVSA-N 2 2 338.329 3.475 20 0 EGADLP CCC[NH+]1CCC(NC(=O)NCCC[N@H+](CC)c2ccccc2)CC1 ZINC000107328724 454751780 /nfs/dbraw/zinc/75/17/80/454751780.db2.gz YALRXHIXTTZDNJ-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CCC[NH+]1CCC(NC(=O)NCCC[N@@H+](CC)c2ccccc2)CC1 ZINC000107328724 454751784 /nfs/dbraw/zinc/75/17/84/454751784.db2.gz YALRXHIXTTZDNJ-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144615 454754284 /nfs/dbraw/zinc/75/42/84/454754284.db2.gz QAVGDYOZBSXUEW-WAOWUJCRSA-N 3 2 329.532 3.278 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144615 454754286 /nfs/dbraw/zinc/75/42/86/454754286.db2.gz QAVGDYOZBSXUEW-WAOWUJCRSA-N 3 2 329.532 3.278 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cccc(OC)c2OC(F)F)CC1 ZINC000125247255 454807324 /nfs/dbraw/zinc/80/73/24/454807324.db2.gz UFRMCVGJKPPUSC-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2OC(F)F)CC1 ZINC000125247255 454807327 /nfs/dbraw/zinc/80/73/27/454807327.db2.gz UFRMCVGJKPPUSC-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000125244349 454807410 /nfs/dbraw/zinc/80/74/10/454807410.db2.gz UAISPDBMZFUTHD-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000125244349 454807411 /nfs/dbraw/zinc/80/74/11/454807411.db2.gz UAISPDBMZFUTHD-UHFFFAOYSA-N 2 2 328.403 3.213 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000125501756 454827808 /nfs/dbraw/zinc/82/78/08/454827808.db2.gz BRWZQQUZNOVGRD-AWEZNQCLSA-N 2 2 346.393 3.020 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000125501756 454827812 /nfs/dbraw/zinc/82/78/12/454827812.db2.gz BRWZQQUZNOVGRD-AWEZNQCLSA-N 2 2 346.393 3.020 20 0 EGADLP OCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCc2ccccc21 ZINC000177165716 454830990 /nfs/dbraw/zinc/83/09/90/454830990.db2.gz IUQAOUIFUSDJNJ-FQEVSTJZSA-N 2 2 348.450 3.139 20 0 EGADLP OCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCc2ccccc21 ZINC000177165716 454830995 /nfs/dbraw/zinc/83/09/95/454830995.db2.gz IUQAOUIFUSDJNJ-FQEVSTJZSA-N 2 2 348.450 3.139 20 0 EGADLP c1ccc(NC[C@@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]c1 ZINC000154041743 454859602 /nfs/dbraw/zinc/85/96/02/454859602.db2.gz PFEFUCJAFGTBGA-AWEZNQCLSA-N 2 2 327.432 3.056 20 0 EGADLP c1ccc(NC[C@@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]c1 ZINC000154041743 454859605 /nfs/dbraw/zinc/85/96/05/454859605.db2.gz PFEFUCJAFGTBGA-AWEZNQCLSA-N 2 2 327.432 3.056 20 0 EGADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]1 ZINC000154047307 454860818 /nfs/dbraw/zinc/86/08/18/454860818.db2.gz LOYHYLXUWXWTPC-OAHLLOKOSA-N 2 2 341.459 3.365 20 0 EGADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)[nH+]1 ZINC000154047307 454860823 /nfs/dbraw/zinc/86/08/23/454860823.db2.gz LOYHYLXUWXWTPC-OAHLLOKOSA-N 2 2 341.459 3.365 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150774696 454890747 /nfs/dbraw/zinc/89/07/47/454890747.db2.gz FQLJGJHZTCRBJZ-INIZCTEOSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)cc1 ZINC000150774696 454890752 /nfs/dbraw/zinc/89/07/52/454890752.db2.gz FQLJGJHZTCRBJZ-INIZCTEOSA-N 2 2 341.455 3.268 20 0 EGADLP CC(C)c1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000166658551 454914180 /nfs/dbraw/zinc/91/41/80/454914180.db2.gz KXAWLEHGLLOOHS-APWZRJJASA-N 2 2 332.488 3.192 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@@H+]1C1CC1 ZINC000151064733 454932068 /nfs/dbraw/zinc/93/20/68/454932068.db2.gz OVSLOLIUGKJHSY-QFBILLFUSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)C[N@H+]1C1CC1 ZINC000151064733 454932072 /nfs/dbraw/zinc/93/20/72/454932072.db2.gz OVSLOLIUGKJHSY-QFBILLFUSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200037 454946352 /nfs/dbraw/zinc/94/63/52/454946352.db2.gz SSOYROOVELRDKP-JKSUJKDBSA-N 2 2 325.456 3.050 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200037 454946356 /nfs/dbraw/zinc/94/63/56/454946356.db2.gz SSOYROOVELRDKP-JKSUJKDBSA-N 2 2 325.456 3.050 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151335027 454970330 /nfs/dbraw/zinc/97/03/30/454970330.db2.gz OGCUBEBBQNNAQY-NRFANRHFSA-N 2 2 335.451 3.279 20 0 EGADLP CC(C)COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccco1 ZINC000175782830 455497210 /nfs/dbraw/zinc/49/72/10/455497210.db2.gz CQWQAYDQVQIXLS-KRWDZBQOSA-N 2 2 340.427 3.364 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151367012 454975813 /nfs/dbraw/zinc/97/58/13/454975813.db2.gz DTHSVPKVSAVVJW-OJAHFUOMSA-N 2 2 346.540 3.151 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151367012 454975815 /nfs/dbraw/zinc/97/58/15/454975815.db2.gz DTHSVPKVSAVVJW-OJAHFUOMSA-N 2 2 346.540 3.151 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246477746 455498318 /nfs/dbraw/zinc/49/83/18/455498318.db2.gz RBBWMRINTGRBEP-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246477746 455498323 /nfs/dbraw/zinc/49/83/23/455498323.db2.gz RBBWMRINTGRBEP-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000170901355 454996835 /nfs/dbraw/zinc/99/68/35/454996835.db2.gz MWDCBPCLIWSQFA-IBGZPJMESA-N 2 2 349.438 3.289 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000127915056 455009157 /nfs/dbraw/zinc/00/91/57/455009157.db2.gz XLOIHQGEMJVBKB-HXUWFJFHSA-N 2 2 332.488 3.207 20 0 EGADLP c1ccc2c(c1)C[C@@H]1[C@@H](C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)[C@H]21 ZINC000128050190 455022120 /nfs/dbraw/zinc/02/21/20/455022120.db2.gz IAPAIDSCGNIAEL-YPAWHYETSA-N 2 2 333.479 3.222 20 0 EGADLP O=C(CCC1CC[NH2+]CC1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000179246170 455024104 /nfs/dbraw/zinc/02/41/04/455024104.db2.gz NELRUCSGJAMWIY-UHFFFAOYSA-N 2 2 340.471 3.481 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770812 455028894 /nfs/dbraw/zinc/02/88/94/455028894.db2.gz WUFOZTVDDYRBMS-DNVCBOLYSA-N 2 2 344.524 3.435 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770812 455028896 /nfs/dbraw/zinc/02/88/96/455028896.db2.gz WUFOZTVDDYRBMS-DNVCBOLYSA-N 2 2 344.524 3.435 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000155748125 455040176 /nfs/dbraw/zinc/04/01/76/455040176.db2.gz AMRMNIBSWHJMRH-ZDUSSCGKSA-N 2 2 345.409 3.352 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000155748125 455040178 /nfs/dbraw/zinc/04/01/78/455040178.db2.gz AMRMNIBSWHJMRH-ZDUSSCGKSA-N 2 2 345.409 3.352 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155840131 455052007 /nfs/dbraw/zinc/05/20/07/455052007.db2.gz ZRDFPYZBBPCXBP-FPOVZHCZSA-N 3 2 346.563 3.391 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000155840131 455052009 /nfs/dbraw/zinc/05/20/09/455052009.db2.gz ZRDFPYZBBPCXBP-FPOVZHCZSA-N 3 2 346.563 3.391 20 0 EGADLP CCc1nc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000171305169 455060460 /nfs/dbraw/zinc/06/04/60/455060460.db2.gz VBTNIEVMNMCLTE-GJZGRUSLSA-N 2 2 337.533 3.027 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OC(F)F ZINC000179834836 455086516 /nfs/dbraw/zinc/08/65/16/455086516.db2.gz UTZOMQDYDLSBNH-UHFFFAOYSA-N 2 2 328.403 3.259 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)N(C)c1ccccc1 ZINC000156177050 455089918 /nfs/dbraw/zinc/08/99/18/455089918.db2.gz UZWHWKPDGIGLTA-GOSISDBHSA-N 2 2 338.499 3.161 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152392108 455111659 /nfs/dbraw/zinc/11/16/59/455111659.db2.gz BVTXMYNKTFCENC-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152392108 455111663 /nfs/dbraw/zinc/11/16/63/455111663.db2.gz BVTXMYNKTFCENC-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152392108 455111664 /nfs/dbraw/zinc/11/16/64/455111664.db2.gz BVTXMYNKTFCENC-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152392108 455111668 /nfs/dbraw/zinc/11/16/68/455111668.db2.gz BVTXMYNKTFCENC-LSDHHAIUSA-N 2 2 335.517 3.009 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156388393 455112013 /nfs/dbraw/zinc/11/20/13/455112013.db2.gz KRPGBSDHMIIIPP-DYVFJYSZSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156388393 455112016 /nfs/dbraw/zinc/11/20/16/455112016.db2.gz KRPGBSDHMIIIPP-DYVFJYSZSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1c(F)cccc1F ZINC000172092651 455120973 /nfs/dbraw/zinc/12/09/73/455120973.db2.gz ZGORMBSOVAGPFT-IUODEOHRSA-N 2 2 341.446 3.248 20 0 EGADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156487916 455124414 /nfs/dbraw/zinc/12/44/14/455124414.db2.gz RUKKTAMTOJMFPM-BBRMVZONSA-N 2 2 332.835 3.058 20 0 EGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156487916 455124418 /nfs/dbraw/zinc/12/44/18/455124418.db2.gz RUKKTAMTOJMFPM-BBRMVZONSA-N 2 2 332.835 3.058 20 0 EGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156487791 455124501 /nfs/dbraw/zinc/12/45/01/455124501.db2.gz RUKKTAMTOJMFPM-CJNGLKHVSA-N 2 2 332.835 3.058 20 0 EGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156487791 455124505 /nfs/dbraw/zinc/12/45/05/455124505.db2.gz RUKKTAMTOJMFPM-CJNGLKHVSA-N 2 2 332.835 3.058 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129786279 455125905 /nfs/dbraw/zinc/12/59/05/455125905.db2.gz NBZREZWKNWYAKM-BZSNNMDCSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129786279 455125908 /nfs/dbraw/zinc/12/59/08/455125908.db2.gz NBZREZWKNWYAKM-BZSNNMDCSA-N 2 2 334.508 3.097 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000180416351 455165695 /nfs/dbraw/zinc/16/56/95/455165695.db2.gz LHAXYPXMAXWRQZ-UHFFFAOYSA-N 2 2 339.487 3.026 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(C3CC3)[nH]2)CC1 ZINC000180416351 455165697 /nfs/dbraw/zinc/16/56/97/455165697.db2.gz LHAXYPXMAXWRQZ-UHFFFAOYSA-N 2 2 339.487 3.026 20 0 EGADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000237273469 455166939 /nfs/dbraw/zinc/16/69/39/455166939.db2.gz WCGXVTWGGJNHIP-GFCCVEGCSA-N 2 2 340.402 3.087 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263951002 455172084 /nfs/dbraw/zinc/17/20/84/455172084.db2.gz NXOIXZMEPXBWDB-UHFFFAOYSA-N 2 2 342.487 3.173 20 0 EGADLP c1ccc2c(c1)CC[NH+](CC1(C[N@@H+]3CCc4ccccc4C3)COC1)C2 ZINC000157306265 455182043 /nfs/dbraw/zinc/18/20/43/455182043.db2.gz FGHGARZRFHRBRS-UHFFFAOYSA-N 2 2 348.490 3.120 20 0 EGADLP c1ccc2c(c1)CC[NH+](CC1(C[N@H+]3CCc4ccccc4C3)COC1)C2 ZINC000157306265 455182048 /nfs/dbraw/zinc/18/20/48/455182048.db2.gz FGHGARZRFHRBRS-UHFFFAOYSA-N 2 2 348.490 3.120 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000157326882 455184191 /nfs/dbraw/zinc/18/41/91/455184191.db2.gz UIYSRYHTEYLXSW-ICSRJNTNSA-N 2 2 341.499 3.132 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000157326882 455184195 /nfs/dbraw/zinc/18/41/95/455184195.db2.gz UIYSRYHTEYLXSW-ICSRJNTNSA-N 2 2 341.499 3.132 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000157448091 455195593 /nfs/dbraw/zinc/19/55/93/455195593.db2.gz KVZVESAPFVCBDI-GOSISDBHSA-N 2 2 335.536 3.116 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000157448091 455195597 /nfs/dbraw/zinc/19/55/97/455195597.db2.gz KVZVESAPFVCBDI-GOSISDBHSA-N 2 2 335.536 3.116 20 0 EGADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]CC3CC3)CC2)c1 ZINC000237683201 455207025 /nfs/dbraw/zinc/20/70/25/455207025.db2.gz URLUPWJHWWVCIJ-UHFFFAOYSA-N 2 2 341.421 3.217 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000157615967 455212997 /nfs/dbraw/zinc/21/29/97/455212997.db2.gz LHQWKAVFFJRCNC-INIZCTEOSA-N 2 2 330.451 3.055 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C)CCCCCC3)CC2)CC1 ZINC000180644842 455217397 /nfs/dbraw/zinc/21/73/97/455217397.db2.gz ZUPOVXYXBVZDOV-UHFFFAOYSA-N 2 2 335.536 3.022 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426800 455295608 /nfs/dbraw/zinc/29/56/08/455295608.db2.gz LMYRANRSJDROAS-IAGOWNOFSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426800 455295611 /nfs/dbraw/zinc/29/56/11/455295611.db2.gz LMYRANRSJDROAS-IAGOWNOFSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426800 455295615 /nfs/dbraw/zinc/29/56/15/455295615.db2.gz LMYRANRSJDROAS-IAGOWNOFSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426800 455295619 /nfs/dbraw/zinc/29/56/19/455295619.db2.gz LMYRANRSJDROAS-IAGOWNOFSA-N 2 2 347.503 3.076 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438774 455299225 /nfs/dbraw/zinc/29/92/25/455299225.db2.gz FMZIBIYUGHSHOY-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438774 455299228 /nfs/dbraw/zinc/29/92/28/455299228.db2.gz FMZIBIYUGHSHOY-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438774 455299232 /nfs/dbraw/zinc/29/92/32/455299232.db2.gz FMZIBIYUGHSHOY-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438774 455299237 /nfs/dbraw/zinc/29/92/37/455299237.db2.gz FMZIBIYUGHSHOY-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441722 455300170 /nfs/dbraw/zinc/30/01/70/455300170.db2.gz VQVPYHBRFDSIOS-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441722 455300174 /nfs/dbraw/zinc/30/01/74/455300174.db2.gz VQVPYHBRFDSIOS-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441722 455300176 /nfs/dbraw/zinc/30/01/76/455300176.db2.gz VQVPYHBRFDSIOS-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441722 455300178 /nfs/dbraw/zinc/30/01/78/455300178.db2.gz VQVPYHBRFDSIOS-IAGOWNOFSA-N 2 2 349.494 3.009 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443177 455301590 /nfs/dbraw/zinc/30/15/90/455301590.db2.gz IPOAXSKIIDELIU-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443177 455301593 /nfs/dbraw/zinc/30/15/93/455301593.db2.gz IPOAXSKIIDELIU-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443177 455301598 /nfs/dbraw/zinc/30/15/98/455301598.db2.gz IPOAXSKIIDELIU-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000245443177 455301602 /nfs/dbraw/zinc/30/16/02/455301602.db2.gz IPOAXSKIIDELIU-SJORKVTESA-N 2 2 339.483 3.440 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245465375 455308174 /nfs/dbraw/zinc/30/81/74/455308174.db2.gz YKIHBJLVLVECNB-MJGOQNOKSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245465375 455308179 /nfs/dbraw/zinc/30/81/79/455308179.db2.gz YKIHBJLVLVECNB-MJGOQNOKSA-N 2 2 343.515 3.384 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000600996907 460669070 /nfs/dbraw/zinc/66/90/70/460669070.db2.gz MMWNNGXCAMVMST-IAGOWNOFSA-N 2 2 346.862 3.003 20 0 EGADLP CSc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245725948 455364967 /nfs/dbraw/zinc/36/49/67/455364967.db2.gz VJATXXFFTBWJNC-WMLDXEAASA-N 2 2 344.484 3.127 20 0 EGADLP CSc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245725948 455364972 /nfs/dbraw/zinc/36/49/72/455364972.db2.gz VJATXXFFTBWJNC-WMLDXEAASA-N 2 2 344.484 3.127 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000181728037 455375981 /nfs/dbraw/zinc/37/59/81/455375981.db2.gz IYZVJWRPQBRHIG-STQMWFEESA-N 2 2 341.293 3.450 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000181728037 455375983 /nfs/dbraw/zinc/37/59/83/455375983.db2.gz IYZVJWRPQBRHIG-STQMWFEESA-N 2 2 341.293 3.450 20 0 EGADLP CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000184478610 455387578 /nfs/dbraw/zinc/38/75/78/455387578.db2.gz LJEXSUNEYWPLMD-SFHVURJKSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000184478610 455387582 /nfs/dbraw/zinc/38/75/82/455387582.db2.gz LJEXSUNEYWPLMD-SFHVURJKSA-N 2 2 341.455 3.426 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245946045 455405448 /nfs/dbraw/zinc/40/54/48/455405448.db2.gz KNFFNORHQSKLHR-MJVIPROJSA-N 2 2 332.414 3.196 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245946045 455405452 /nfs/dbraw/zinc/40/54/52/455405452.db2.gz KNFFNORHQSKLHR-MJVIPROJSA-N 2 2 332.414 3.196 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)c(C)c1 ZINC000190972402 455417140 /nfs/dbraw/zinc/41/71/40/455417140.db2.gz XYJHIUMCJLTKSL-LJQANCHMSA-N 2 2 343.515 3.180 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000182020213 455417802 /nfs/dbraw/zinc/41/78/02/455417802.db2.gz VPWCEZWYPNDWKN-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000182020213 455417809 /nfs/dbraw/zinc/41/78/09/455417809.db2.gz VPWCEZWYPNDWKN-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000182020213 455417814 /nfs/dbraw/zinc/41/78/14/455417814.db2.gz VPWCEZWYPNDWKN-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000182020213 455417820 /nfs/dbraw/zinc/41/78/20/455417820.db2.gz VPWCEZWYPNDWKN-BEFAXECRSA-N 2 2 346.446 3.061 20 0 EGADLP CC(C)[NH+](CCCNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)C ZINC000266802908 455454635 /nfs/dbraw/zinc/45/46/35/455454635.db2.gz JOLGYTVNCMPZIO-UHFFFAOYSA-N 2 2 342.487 3.170 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000266898750 455471419 /nfs/dbraw/zinc/47/14/19/455471419.db2.gz FXCYTHYRHLVTDU-SJLPKXTDSA-N 2 2 340.471 3.083 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000266898750 455471423 /nfs/dbraw/zinc/47/14/23/455471423.db2.gz FXCYTHYRHLVTDU-SJLPKXTDSA-N 2 2 340.471 3.083 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000191488443 455489912 /nfs/dbraw/zinc/48/99/12/455489912.db2.gz QHHGYDZPMWSMMZ-UHFFFAOYSA-N 2 2 343.397 3.110 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000185489899 455565543 /nfs/dbraw/zinc/56/55/43/455565543.db2.gz ITAUYSQEKKFXCU-OAHLLOKOSA-N 2 2 326.469 3.275 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1C ZINC000247145739 455566293 /nfs/dbraw/zinc/56/62/93/455566293.db2.gz WOXCNQKBCYKSPG-XLIONFOSSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1C ZINC000247145739 455566295 /nfs/dbraw/zinc/56/62/95/455566295.db2.gz WOXCNQKBCYKSPG-XLIONFOSSA-N 2 2 339.483 3.399 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247203887 455572089 /nfs/dbraw/zinc/57/20/89/455572089.db2.gz WHWYMWQAUOEJPL-CRAIPNDOSA-N 2 2 333.451 3.103 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247203887 455572095 /nfs/dbraw/zinc/57/20/95/455572095.db2.gz WHWYMWQAUOEJPL-CRAIPNDOSA-N 2 2 333.451 3.103 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000247461367 455604487 /nfs/dbraw/zinc/60/44/87/455604487.db2.gz IKINEAMZUAHTSF-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(C)c1 ZINC000247461367 455604490 /nfs/dbraw/zinc/60/44/90/455604490.db2.gz IKINEAMZUAHTSF-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000247461367 455604496 /nfs/dbraw/zinc/60/44/96/455604496.db2.gz IKINEAMZUAHTSF-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000247461367 455604498 /nfs/dbraw/zinc/60/44/98/455604498.db2.gz IKINEAMZUAHTSF-QZTJIDSGSA-N 2 2 331.504 3.437 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185769426 455618443 /nfs/dbraw/zinc/61/84/43/455618443.db2.gz XGEWHFVVTSDSDG-ZBFHGGJFSA-N 2 2 348.462 3.355 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769426 455618449 /nfs/dbraw/zinc/61/84/49/455618449.db2.gz XGEWHFVVTSDSDG-ZBFHGGJFSA-N 2 2 348.462 3.355 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)c3ccncc3)c2cc1C ZINC000271386940 455618695 /nfs/dbraw/zinc/61/86/95/455618695.db2.gz LCBXSGIBSCRUET-SJLPKXTDSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)c3ccncc3)c2cc1C ZINC000271386940 455618698 /nfs/dbraw/zinc/61/86/98/455618698.db2.gz LCBXSGIBSCRUET-SJLPKXTDSA-N 2 2 338.455 3.102 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000247702785 455640242 /nfs/dbraw/zinc/64/02/42/455640242.db2.gz YGGDSXJNRALSRN-NQIIRXRSSA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000247702785 455640247 /nfs/dbraw/zinc/64/02/47/455640247.db2.gz YGGDSXJNRALSRN-NQIIRXRSSA-N 2 2 345.531 3.164 20 0 EGADLP CCCn1nc(C)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1C ZINC000268347249 455658093 /nfs/dbraw/zinc/65/80/93/455658093.db2.gz MJIQBOKKBYSRTJ-UHFFFAOYSA-N 2 2 337.471 3.445 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000247977871 455664591 /nfs/dbraw/zinc/66/45/91/455664591.db2.gz LOZXCDGDPRFGKH-GDBMZVCRSA-N 2 2 333.501 3.304 20 0 EGADLP Cc1nnc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000271552690 455682231 /nfs/dbraw/zinc/68/22/31/455682231.db2.gz LRZLIQAYIQPHHY-CQSZACIVSA-N 2 2 327.457 3.169 20 0 EGADLP Cc1nnc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000271552690 455682238 /nfs/dbraw/zinc/68/22/38/455682238.db2.gz LRZLIQAYIQPHHY-CQSZACIVSA-N 2 2 327.457 3.169 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248126604 455684709 /nfs/dbraw/zinc/68/47/09/455684709.db2.gz NYSGKNFAKJMURS-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248126604 455684712 /nfs/dbraw/zinc/68/47/12/455684712.db2.gz NYSGKNFAKJMURS-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248126604 455684715 /nfs/dbraw/zinc/68/47/15/455684715.db2.gz NYSGKNFAKJMURS-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248126604 455684718 /nfs/dbraw/zinc/68/47/18/455684718.db2.gz NYSGKNFAKJMURS-JENIJYKNSA-N 2 2 329.488 3.047 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)co2)cc1 ZINC000248166520 455692594 /nfs/dbraw/zinc/69/25/94/455692594.db2.gz TVENBHUXDIBBJV-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)co2)cc1 ZINC000248166520 455692599 /nfs/dbraw/zinc/69/25/99/455692599.db2.gz TVENBHUXDIBBJV-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)co2)cc1 ZINC000248166520 455692603 /nfs/dbraw/zinc/69/26/03/455692603.db2.gz TVENBHUXDIBBJV-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)co2)cc1 ZINC000248166520 455692607 /nfs/dbraw/zinc/69/26/07/455692607.db2.gz TVENBHUXDIBBJV-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887944 455719288 /nfs/dbraw/zinc/71/92/88/455719288.db2.gz IWPSSQDTSOOJMZ-IEBWSBKVSA-N 2 2 339.483 3.375 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Oc2ccccc2)cc1 ZINC000268887944 455719293 /nfs/dbraw/zinc/71/92/93/455719293.db2.gz IWPSSQDTSOOJMZ-IEBWSBKVSA-N 2 2 339.483 3.375 20 0 EGADLP C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248556208 455720229 /nfs/dbraw/zinc/72/02/29/455720229.db2.gz IFKBEMVZEBKWGU-ILZDJORESA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248556208 455720233 /nfs/dbraw/zinc/72/02/33/455720233.db2.gz IFKBEMVZEBKWGU-ILZDJORESA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944201 455739500 /nfs/dbraw/zinc/73/95/00/455739500.db2.gz UBAXBVKPLNKPHB-RXVVDRJESA-N 2 2 337.511 3.042 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C(c1ccccc1)c1ccccc1 ZINC000268944201 455739507 /nfs/dbraw/zinc/73/95/07/455739507.db2.gz UBAXBVKPLNKPHB-RXVVDRJESA-N 2 2 337.511 3.042 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(C)cc2)CC1 ZINC000271862334 455791293 /nfs/dbraw/zinc/79/12/93/455791293.db2.gz ZAKSUSGBWKKYCU-UHFFFAOYSA-N 2 2 346.515 3.280 20 0 EGADLP CCc1ncc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000269148860 455799391 /nfs/dbraw/zinc/79/93/91/455799391.db2.gz PBAYZIHFGAZOGC-UHFFFAOYSA-N 2 2 345.516 3.243 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000285257667 455813393 /nfs/dbraw/zinc/81/33/93/455813393.db2.gz AZODPJUDGWUWHW-UHFFFAOYSA-N 2 2 335.883 3.051 20 0 EGADLP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)OCc1ccccc1 ZINC000272015207 455821281 /nfs/dbraw/zinc/82/12/81/455821281.db2.gz LOHYDJLOQPPWMU-UHFFFAOYSA-N 2 2 330.472 3.070 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354511 455826203 /nfs/dbraw/zinc/82/62/03/455826203.db2.gz AZZDZEWQZFUVNI-ZWKOTPCHSA-N 3 2 342.487 3.024 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000278354511 455826208 /nfs/dbraw/zinc/82/62/08/455826208.db2.gz AZZDZEWQZFUVNI-ZWKOTPCHSA-N 3 2 342.487 3.024 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285439748 455846020 /nfs/dbraw/zinc/84/60/20/455846020.db2.gz IFEQNMVIVHRPLU-YIONKMFJSA-N 2 2 330.451 3.252 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285439748 455846026 /nfs/dbraw/zinc/84/60/26/455846026.db2.gz IFEQNMVIVHRPLU-YIONKMFJSA-N 2 2 330.451 3.252 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285439748 455846029 /nfs/dbraw/zinc/84/60/29/455846029.db2.gz IFEQNMVIVHRPLU-YIONKMFJSA-N 2 2 330.451 3.252 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285439748 455846030 /nfs/dbraw/zinc/84/60/30/455846030.db2.gz IFEQNMVIVHRPLU-YIONKMFJSA-N 2 2 330.451 3.252 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209588 455878106 /nfs/dbraw/zinc/87/81/06/455878106.db2.gz PYTVYUIQSNHJOH-MJGOQNOKSA-N 3 2 334.467 3.335 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209588 455878111 /nfs/dbraw/zinc/87/81/11/455878111.db2.gz PYTVYUIQSNHJOH-MJGOQNOKSA-N 3 2 334.467 3.335 20 0 EGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000280092253 455889722 /nfs/dbraw/zinc/88/97/22/455889722.db2.gz MNZNTENWIWFSSO-FQEVSTJZSA-N 2 2 338.499 3.094 20 0 EGADLP OC1(c2ccccc2Cl)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000194950525 455904341 /nfs/dbraw/zinc/90/43/41/455904341.db2.gz FBXQQCJUKCQJLJ-UHFFFAOYSA-N 2 2 341.842 3.471 20 0 EGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C)cc1 ZINC000285743006 455907544 /nfs/dbraw/zinc/90/75/44/455907544.db2.gz RNLKOZIWBIMPGO-NXEWRWPSSA-N 2 2 343.515 3.119 20 0 EGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C)cc1 ZINC000285743006 455907546 /nfs/dbraw/zinc/90/75/46/455907546.db2.gz RNLKOZIWBIMPGO-NXEWRWPSSA-N 2 2 343.515 3.119 20 0 EGADLP CCO[C@@H](C)c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261608248 455912501 /nfs/dbraw/zinc/91/25/01/455912501.db2.gz BOPNFBXJJDYWOU-LESCRADOSA-N 2 2 345.512 3.415 20 0 EGADLP CCO[C@@H](C)c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261608248 455912506 /nfs/dbraw/zinc/91/25/06/455912506.db2.gz BOPNFBXJJDYWOU-LESCRADOSA-N 2 2 345.512 3.415 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000261685526 455927878 /nfs/dbraw/zinc/92/78/78/455927878.db2.gz KJHACIVJKJAKEF-AWEZNQCLSA-N 2 2 349.219 3.221 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000261685526 455927883 /nfs/dbraw/zinc/92/78/83/455927883.db2.gz KJHACIVJKJAKEF-AWEZNQCLSA-N 2 2 349.219 3.221 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000280228533 455921915 /nfs/dbraw/zinc/92/19/15/455921915.db2.gz MAGSOCGSCDNHDN-UHFFFAOYSA-N 2 2 329.444 3.323 20 0 EGADLP Nc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907106 455969534 /nfs/dbraw/zinc/96/95/34/455969534.db2.gz XJEFLJRFEFEHEJ-AEFFLSMTSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907106 455969536 /nfs/dbraw/zinc/96/95/36/455969536.db2.gz XJEFLJRFEFEHEJ-AEFFLSMTSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000261907106 455969539 /nfs/dbraw/zinc/96/95/39/455969539.db2.gz XJEFLJRFEFEHEJ-AEFFLSMTSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000261907106 455969541 /nfs/dbraw/zinc/96/95/41/455969541.db2.gz XJEFLJRFEFEHEJ-AEFFLSMTSA-N 2 2 342.512 3.212 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262039706 455988863 /nfs/dbraw/zinc/98/88/63/455988863.db2.gz PAMKJYNYJWLEEO-RHSMWYFYSA-N 2 2 338.480 3.380 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C[C@H]1[NH3+] ZINC000262039706 455988867 /nfs/dbraw/zinc/98/88/67/455988867.db2.gz PAMKJYNYJWLEEO-RHSMWYFYSA-N 2 2 338.480 3.380 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000270660715 456007850 /nfs/dbraw/zinc/00/78/50/456007850.db2.gz OUNYYLBVZLPYJD-UHFFFAOYSA-N 3 2 326.488 3.036 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000270660715 456007859 /nfs/dbraw/zinc/00/78/59/456007859.db2.gz OUNYYLBVZLPYJD-UHFFFAOYSA-N 3 2 326.488 3.036 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000204037707 456016656 /nfs/dbraw/zinc/01/66/56/456016656.db2.gz NKVSQVGWVWPNCE-MRXNPFEDSA-N 2 2 339.439 3.088 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000204037707 456016659 /nfs/dbraw/zinc/01/66/59/456016659.db2.gz NKVSQVGWVWPNCE-MRXNPFEDSA-N 2 2 339.439 3.088 20 0 EGADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000286294590 456018171 /nfs/dbraw/zinc/01/81/71/456018171.db2.gz GDOJPFYQZCWYIV-QGZVFWFLSA-N 2 2 330.472 3.076 20 0 EGADLP COc1ccc(C(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000286294590 456018176 /nfs/dbraw/zinc/01/81/76/456018176.db2.gz GDOJPFYQZCWYIV-QGZVFWFLSA-N 2 2 330.472 3.076 20 0 EGADLP C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC[NH2+]1 ZINC000262457956 456037914 /nfs/dbraw/zinc/03/79/14/456037914.db2.gz VNTSROWIOVCNLE-HOCLYGCPSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000296842870 456050473 /nfs/dbraw/zinc/05/04/73/456050473.db2.gz OGXROOQSYLCLLT-AWEZNQCLSA-N 2 2 344.459 3.184 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000272718049 456051503 /nfs/dbraw/zinc/05/15/03/456051503.db2.gz ZFCRYDSLCUEHQR-IAGOWNOFSA-N 2 2 342.443 3.184 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968217 456095496 /nfs/dbraw/zinc/09/54/96/456095496.db2.gz KGUAJHIPGUSKQK-GUDVDZBRSA-N 2 2 340.471 3.173 20 0 EGADLP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000280968217 456095499 /nfs/dbraw/zinc/09/54/99/456095499.db2.gz KGUAJHIPGUSKQK-GUDVDZBRSA-N 2 2 340.471 3.173 20 0 EGADLP COCCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000271031273 456103650 /nfs/dbraw/zinc/10/36/50/456103650.db2.gz HIXZIZVCHZQMFH-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP C[C@@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000188656034 456105527 /nfs/dbraw/zinc/10/55/27/456105527.db2.gz XFILOFXYARQPTK-MRXNPFEDSA-N 2 2 336.442 3.324 20 0 EGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)c1c[nH]c2ncccc12 ZINC000271061961 456116798 /nfs/dbraw/zinc/11/67/98/456116798.db2.gz KVQAFKYHZITZGC-CZUORRHYSA-N 2 2 330.476 3.090 20 0 EGADLP CC[NH+]1CCC(Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC1 ZINC000281142375 456144510 /nfs/dbraw/zinc/14/45/10/456144510.db2.gz OLYVACWXAAUHSK-UHFFFAOYSA-N 2 2 337.895 3.068 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)n2c1 ZINC000271182834 456160018 /nfs/dbraw/zinc/16/00/18/456160018.db2.gz ICSVXHRRAGWQPS-MRXNPFEDSA-N 2 2 332.879 3.438 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000263679015 456189593 /nfs/dbraw/zinc/18/95/93/456189593.db2.gz HXZXMKSRQAYCSR-QGZVFWFLSA-N 2 2 343.515 3.159 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000263679015 456189599 /nfs/dbraw/zinc/18/95/99/456189599.db2.gz HXZXMKSRQAYCSR-QGZVFWFLSA-N 2 2 343.515 3.159 20 0 EGADLP Cc1cn2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC000620649227 460720273 /nfs/dbraw/zinc/72/02/73/460720273.db2.gz YLRPTHYOLWXMLX-UHFFFAOYSA-N 2 2 348.450 3.493 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c(OC)n1 ZINC000290173983 456258874 /nfs/dbraw/zinc/25/88/74/456258874.db2.gz MZNTXRSJDDXVTG-AWEZNQCLSA-N 2 2 338.411 3.135 20 0 EGADLP CCc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302030530 456272035 /nfs/dbraw/zinc/27/20/35/456272035.db2.gz BRXTYXFWKNPTIZ-UHFFFAOYSA-N 2 2 338.499 3.492 20 0 EGADLP CCc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc(C)[nH+]1 ZINC000302030530 456272040 /nfs/dbraw/zinc/27/20/40/456272040.db2.gz BRXTYXFWKNPTIZ-UHFFFAOYSA-N 2 2 338.499 3.492 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061869 456277620 /nfs/dbraw/zinc/27/76/20/456277620.db2.gz UDINRCUCSRUKIT-CABCVRRESA-N 2 2 346.523 3.126 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061869 456277625 /nfs/dbraw/zinc/27/76/25/456277625.db2.gz UDINRCUCSRUKIT-CABCVRRESA-N 2 2 346.523 3.126 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000302063655 456279145 /nfs/dbraw/zinc/27/91/45/456279145.db2.gz VBXDGMATVDRJKJ-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP COc1sc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000290350425 456303125 /nfs/dbraw/zinc/30/31/25/456303125.db2.gz GAGUEYVIWVUAOX-UHFFFAOYSA-N 2 2 344.278 3.238 20 0 EGADLP COc1sc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000290350425 456303131 /nfs/dbraw/zinc/30/31/31/456303131.db2.gz GAGUEYVIWVUAOX-UHFFFAOYSA-N 2 2 344.278 3.238 20 0 EGADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721925 456296210 /nfs/dbraw/zinc/29/62/10/456296210.db2.gz SPJGRQYOCARKLF-DZGCQCFKSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721925 456296215 /nfs/dbraw/zinc/29/62/15/456296215.db2.gz SPJGRQYOCARKLF-DZGCQCFKSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721925 456296218 /nfs/dbraw/zinc/29/62/18/456296218.db2.gz SPJGRQYOCARKLF-DZGCQCFKSA-N 2 2 338.517 3.198 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(SC)cc1OC ZINC000275721925 456296223 /nfs/dbraw/zinc/29/62/23/456296223.db2.gz SPJGRQYOCARKLF-DZGCQCFKSA-N 2 2 338.517 3.198 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215894 456320302 /nfs/dbraw/zinc/32/03/02/456320302.db2.gz KYXGYJCWKRIKKF-RTBURBONSA-N 2 2 341.430 3.189 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340215894 456320307 /nfs/dbraw/zinc/32/03/07/456320307.db2.gz KYXGYJCWKRIKKF-RTBURBONSA-N 2 2 341.430 3.189 20 0 EGADLP COc1cc(OC)cc(OCCC[NH2+]CCCc2c[nH+]ccc2C)c1 ZINC000290461127 456334668 /nfs/dbraw/zinc/33/46/68/456334668.db2.gz UCONKCQRAOVFCU-UHFFFAOYSA-N 2 2 344.455 3.399 20 0 EGADLP CN(C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000340263015 456347707 /nfs/dbraw/zinc/34/77/07/456347707.db2.gz FYTPUSIDOCRXJE-UYAOXDASSA-N 2 2 343.515 3.203 20 0 EGADLP CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000340263015 456347713 /nfs/dbraw/zinc/34/77/13/456347713.db2.gz FYTPUSIDOCRXJE-UYAOXDASSA-N 2 2 343.515 3.203 20 0 EGADLP COc1cccc2c(N3CCC(Cc4[nH+]ccn4C)CC3)cc[nH+]c12 ZINC000302519606 456353492 /nfs/dbraw/zinc/35/34/92/456353492.db2.gz IGEYEYWFQYYELO-UHFFFAOYSA-N 2 2 336.439 3.436 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4ccncc34)c2)CCO1 ZINC000290620086 456386595 /nfs/dbraw/zinc/38/65/95/456386595.db2.gz LJDHGRKPEAKKDK-INIZCTEOSA-N 2 2 348.450 3.463 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccncc34)c2)CCO1 ZINC000290620086 456386600 /nfs/dbraw/zinc/38/66/00/456386600.db2.gz LJDHGRKPEAKKDK-INIZCTEOSA-N 2 2 348.450 3.463 20 0 EGADLP COc1ccc([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N2CCCC2)cc1 ZINC000298252844 456405177 /nfs/dbraw/zinc/40/51/77/456405177.db2.gz DPVCZDQTCASVHJ-OAQYLSRUSA-N 2 2 343.515 3.049 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)s1 ZINC000347853908 456407009 /nfs/dbraw/zinc/40/70/09/456407009.db2.gz KUMKSACJSVHYKS-KRWDZBQOSA-N 2 2 344.528 3.306 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)s1 ZINC000347853908 456407018 /nfs/dbraw/zinc/40/70/18/456407018.db2.gz KUMKSACJSVHYKS-KRWDZBQOSA-N 2 2 344.528 3.306 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156293 456439437 /nfs/dbraw/zinc/43/94/37/456439437.db2.gz BAAFLXOAMZMJTP-CJNGLKHVSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C1 ZINC000343156293 456439445 /nfs/dbraw/zinc/43/94/45/456439445.db2.gz BAAFLXOAMZMJTP-CJNGLKHVSA-N 2 2 330.394 3.195 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)cc2)cs1 ZINC000340423595 456451195 /nfs/dbraw/zinc/45/11/95/456451195.db2.gz GFMUEVBNYFYZQI-CQSZACIVSA-N 2 2 342.468 3.405 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(C(F)(F)F)CC3)sc2C1 ZINC000353046984 456460741 /nfs/dbraw/zinc/46/07/41/456460741.db2.gz MHRGBXQAYBEDDU-UHFFFAOYSA-N 2 2 333.423 3.342 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(C(F)(F)F)CC3)sc2C1 ZINC000353046984 456460744 /nfs/dbraw/zinc/46/07/44/456460744.db2.gz MHRGBXQAYBEDDU-UHFFFAOYSA-N 2 2 333.423 3.342 20 0 EGADLP Cc1ccncc1CCCNc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000348109136 456486273 /nfs/dbraw/zinc/48/62/73/456486273.db2.gz CPKUOBAUNTXNEI-IAGOWNOFSA-N 2 2 340.471 3.443 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000348109136 456486282 /nfs/dbraw/zinc/48/62/82/456486282.db2.gz CPKUOBAUNTXNEI-IAGOWNOFSA-N 2 2 340.471 3.443 20 0 EGADLP COCCC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(F)cc1 ZINC000282272464 456462964 /nfs/dbraw/zinc/46/29/64/456462964.db2.gz KNINQWHAURRGGF-ZWKOTPCHSA-N 2 2 340.508 3.320 20 0 EGADLP COCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000340443213 456464962 /nfs/dbraw/zinc/46/49/62/456464962.db2.gz DVYFKJMLXSRDPH-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP COCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000340443213 456464971 /nfs/dbraw/zinc/46/49/71/456464971.db2.gz DVYFKJMLXSRDPH-MJGOQNOKSA-N 2 2 331.504 3.088 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504065 456497127 /nfs/dbraw/zinc/49/71/27/456497127.db2.gz GCCGFIAAURUASY-WVBUVRCRSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000340504065 456497129 /nfs/dbraw/zinc/49/71/29/456497129.db2.gz GCCGFIAAURUASY-WVBUVRCRSA-N 2 2 336.479 3.244 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340536854 456518603 /nfs/dbraw/zinc/51/86/03/456518603.db2.gz SZHWBTXHHDSBAQ-LSDHHAIUSA-N 2 2 328.435 3.492 20 0 EGADLP COC[C@H](CC(C)(C)C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000651741742 462321864 /nfs/dbraw/zinc/32/18/64/462321864.db2.gz UTTYLQOKSRNGOX-RDJZCZTQSA-N 2 2 334.508 3.085 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282692253 456593290 /nfs/dbraw/zinc/59/32/90/456593290.db2.gz KKZFZSZUFYXLPG-MISYRCLQSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282692253 456593292 /nfs/dbraw/zinc/59/32/92/456593292.db2.gz KKZFZSZUFYXLPG-MISYRCLQSA-N 2 2 328.500 3.446 20 0 EGADLP CC(C)Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000337904282 456593692 /nfs/dbraw/zinc/59/36/92/456593692.db2.gz TVGUMDKMFVUUGG-UXHICEINSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000337904282 456593699 /nfs/dbraw/zinc/59/36/99/456593699.db2.gz TVGUMDKMFVUUGG-UXHICEINSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000337904282 456593706 /nfs/dbraw/zinc/59/37/06/456593706.db2.gz TVGUMDKMFVUUGG-UXHICEINSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000337904282 456593712 /nfs/dbraw/zinc/59/37/12/456593712.db2.gz TVGUMDKMFVUUGG-UXHICEINSA-N 2 2 341.503 3.059 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000343461420 456636865 /nfs/dbraw/zinc/63/68/65/456636865.db2.gz AJMZZRKSNKMMIP-FCHUYYIVSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343461420 456636872 /nfs/dbraw/zinc/63/68/72/456636872.db2.gz AJMZZRKSNKMMIP-FCHUYYIVSA-N 2 2 338.495 3.153 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000343476855 456649486 /nfs/dbraw/zinc/64/94/86/456649486.db2.gz OBQHRDQRWRTMID-DNVCBOLYSA-N 2 2 329.488 3.245 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000343476855 456649490 /nfs/dbraw/zinc/64/94/90/456649490.db2.gz OBQHRDQRWRTMID-DNVCBOLYSA-N 2 2 329.488 3.245 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4OC3)CC2)nc1 ZINC000338009441 456654071 /nfs/dbraw/zinc/65/40/71/456654071.db2.gz URRFGOKHPCWPRN-HXUWFJFHSA-N 2 2 337.467 3.029 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025606 456657626 /nfs/dbraw/zinc/65/76/26/456657626.db2.gz ATEIRGKPIULHCB-OALUTQOASA-N 2 2 331.504 3.012 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025606 456657631 /nfs/dbraw/zinc/65/76/31/456657631.db2.gz ATEIRGKPIULHCB-OALUTQOASA-N 2 2 331.504 3.012 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000299366973 456670324 /nfs/dbraw/zinc/67/03/24/456670324.db2.gz PYNPASIODYOMFE-HRAATJIYSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000299366973 456670331 /nfs/dbraw/zinc/67/03/31/456670331.db2.gz PYNPASIODYOMFE-HRAATJIYSA-N 2 2 339.483 3.399 20 0 EGADLP CCOc1ccc([C@@H](O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000291638612 456704261 /nfs/dbraw/zinc/70/42/61/456704261.db2.gz DPCJTENAYHAADY-HXUWFJFHSA-N 2 2 343.471 3.118 20 0 EGADLP Cc1cnc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000353529940 456738949 /nfs/dbraw/zinc/73/89/49/456738949.db2.gz KVTIUFDWDPEULP-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1cnc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000353529940 456738955 /nfs/dbraw/zinc/73/89/55/456738955.db2.gz KVTIUFDWDPEULP-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000353529940 456738960 /nfs/dbraw/zinc/73/89/60/456738960.db2.gz KVTIUFDWDPEULP-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000353529940 456738964 /nfs/dbraw/zinc/73/89/64/456738964.db2.gz KVTIUFDWDPEULP-NRFANRHFSA-N 2 2 336.483 3.273 20 0 EGADLP c1cn(Cc2ccccc2)c(CN2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000299600339 456741557 /nfs/dbraw/zinc/74/15/57/456741557.db2.gz HJXVUVVOLBNSMJ-UHFFFAOYSA-N 2 2 338.499 3.382 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544155 456746877 /nfs/dbraw/zinc/74/68/77/456746877.db2.gz AUQQHVLQENGWCY-AOIWGVFYSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544155 456746881 /nfs/dbraw/zinc/74/68/81/456746881.db2.gz AUQQHVLQENGWCY-AOIWGVFYSA-N 2 2 349.519 3.117 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544155 456746893 /nfs/dbraw/zinc/74/68/93/456746893.db2.gz AUQQHVLQENGWCY-AOIWGVFYSA-N 2 2 349.519 3.117 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579903 456779328 /nfs/dbraw/zinc/77/93/28/456779328.db2.gz XWUBCXDKLPGYPW-ROUUACIJSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353579903 456779334 /nfs/dbraw/zinc/77/93/34/456779334.db2.gz XWUBCXDKLPGYPW-ROUUACIJSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353579903 456779339 /nfs/dbraw/zinc/77/93/39/456779339.db2.gz XWUBCXDKLPGYPW-ROUUACIJSA-N 2 2 349.519 3.213 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353579903 456779346 /nfs/dbraw/zinc/77/93/46/456779346.db2.gz XWUBCXDKLPGYPW-ROUUACIJSA-N 2 2 349.519 3.213 20 0 EGADLP COc1ccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)cc1OC ZINC000301087355 456793893 /nfs/dbraw/zinc/79/38/93/456793893.db2.gz QMSPQAOSOZSRGY-MRXNPFEDSA-N 2 2 340.427 3.295 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662555 456840797 /nfs/dbraw/zinc/84/07/97/456840797.db2.gz AGRRBXLMJCOLAY-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662555 456840803 /nfs/dbraw/zinc/84/08/03/456840803.db2.gz AGRRBXLMJCOLAY-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662555 456840811 /nfs/dbraw/zinc/84/08/11/456840811.db2.gz AGRRBXLMJCOLAY-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662555 456840817 /nfs/dbraw/zinc/84/08/17/456840817.db2.gz AGRRBXLMJCOLAY-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513423 456849591 /nfs/dbraw/zinc/84/95/91/456849591.db2.gz RIBFTQGCROTULT-UKRRQHHQSA-N 2 2 348.384 3.014 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000277513423 456849594 /nfs/dbraw/zinc/84/95/94/456849594.db2.gz RIBFTQGCROTULT-UKRRQHHQSA-N 2 2 348.384 3.014 20 0 EGADLP CCc1oc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948137 456868995 /nfs/dbraw/zinc/86/89/95/456868995.db2.gz MCMNBUZHKFCQFU-KDOFPFPSSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C(=O)OC ZINC000338948137 456868996 /nfs/dbraw/zinc/86/89/96/456868996.db2.gz MCMNBUZHKFCQFU-KDOFPFPSSA-N 2 2 346.471 3.077 20 0 EGADLP CCc1oc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(=O)OC ZINC000338948137 456868999 /nfs/dbraw/zinc/86/89/99/456868999.db2.gz MCMNBUZHKFCQFU-KDOFPFPSSA-N 2 2 346.471 3.077 20 0 EGADLP COc1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc(OC)c1 ZINC000348819680 456870779 /nfs/dbraw/zinc/87/07/79/456870779.db2.gz YCGQWQSSTQRPJH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc(OC)c1 ZINC000348819680 456870783 /nfs/dbraw/zinc/87/07/83/456870783.db2.gz YCGQWQSSTQRPJH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc(OC)c1 ZINC000348819680 456870787 /nfs/dbraw/zinc/87/07/87/456870787.db2.gz YCGQWQSSTQRPJH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP COc1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc(OC)c1 ZINC000348819680 456870791 /nfs/dbraw/zinc/87/07/91/456870791.db2.gz YCGQWQSSTQRPJH-UHFFFAOYSA-N 2 2 332.444 3.251 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834527 456875929 /nfs/dbraw/zinc/87/59/29/456875929.db2.gz QSSFJVIBPQGHGP-FXAWDEMLSA-N 2 2 347.466 3.259 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348834527 456875933 /nfs/dbraw/zinc/87/59/33/456875933.db2.gz QSSFJVIBPQGHGP-FXAWDEMLSA-N 2 2 347.466 3.259 20 0 EGADLP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@H]1C ZINC000353745737 456885552 /nfs/dbraw/zinc/88/55/52/456885552.db2.gz JCHRSKRAIBHRGY-APWZRJJASA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@H]1C ZINC000353745737 456885555 /nfs/dbraw/zinc/88/55/55/456885555.db2.gz JCHRSKRAIBHRGY-APWZRJJASA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745737 456885557 /nfs/dbraw/zinc/88/55/57/456885557.db2.gz JCHRSKRAIBHRGY-APWZRJJASA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745737 456885562 /nfs/dbraw/zinc/88/55/62/456885562.db2.gz JCHRSKRAIBHRGY-APWZRJJASA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745737 456885566 /nfs/dbraw/zinc/88/55/66/456885566.db2.gz JCHRSKRAIBHRGY-APWZRJJASA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745737 456885570 /nfs/dbraw/zinc/88/55/70/456885570.db2.gz JCHRSKRAIBHRGY-APWZRJJASA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@@H]1CCC[NH2+]CC1 ZINC000345193642 456961976 /nfs/dbraw/zinc/96/19/76/456961976.db2.gz XBRNAFNUZVTNEW-MRXNPFEDSA-N 2 2 334.414 3.115 20 0 EGADLP CC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@@H]1CCC[NH2+]CC1 ZINC000345193642 456961978 /nfs/dbraw/zinc/96/19/78/456961978.db2.gz XBRNAFNUZVTNEW-MRXNPFEDSA-N 2 2 334.414 3.115 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccn(C)n1 ZINC000349469142 456974364 /nfs/dbraw/zinc/97/43/64/456974364.db2.gz ZMSGGDGQNGEBCE-MRXNPFEDSA-N 2 2 327.407 3.294 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[NH+](Cc4cccs4)CC3)n21 ZINC000349578775 456990692 /nfs/dbraw/zinc/99/06/92/456990692.db2.gz RKWYWFAVJBPYCQ-UHFFFAOYSA-N 2 2 326.469 3.022 20 0 EGADLP COC[C@H]1CCCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917179 456999903 /nfs/dbraw/zinc/99/99/03/456999903.db2.gz XNOGUMIMTRKHRY-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@H]1CCCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341917179 456999908 /nfs/dbraw/zinc/99/99/08/456999908.db2.gz XNOGUMIMTRKHRY-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@H]1CCCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917179 456999913 /nfs/dbraw/zinc/99/99/13/456999913.db2.gz XNOGUMIMTRKHRY-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP COC[C@H]1CCCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341917179 456999917 /nfs/dbraw/zinc/99/99/17/456999917.db2.gz XNOGUMIMTRKHRY-SFTDATJTSA-N 2 2 346.515 3.026 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)O[C@@H](C)C2 ZINC000354033647 457022575 /nfs/dbraw/zinc/02/25/75/457022575.db2.gz MNSYUDJKPZRKHD-KBXCAEBGSA-N 2 2 340.423 3.067 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)O[C@@H](C)C2 ZINC000354033647 457022581 /nfs/dbraw/zinc/02/25/81/457022581.db2.gz MNSYUDJKPZRKHD-KBXCAEBGSA-N 2 2 340.423 3.067 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346501112 457047728 /nfs/dbraw/zinc/04/77/28/457047728.db2.gz ZIEHLLMPGTZIRA-SUMWQHHRSA-N 2 2 345.830 3.215 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346501112 457047732 /nfs/dbraw/zinc/04/77/32/457047732.db2.gz ZIEHLLMPGTZIRA-SUMWQHHRSA-N 2 2 345.830 3.215 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087917 457053872 /nfs/dbraw/zinc/05/38/72/457053872.db2.gz HZHMPOGVQZXTKI-DOTOQJQBSA-N 2 2 335.517 3.158 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087917 457053879 /nfs/dbraw/zinc/05/38/79/457053879.db2.gz HZHMPOGVQZXTKI-DOTOQJQBSA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087917 457053886 /nfs/dbraw/zinc/05/38/86/457053886.db2.gz HZHMPOGVQZXTKI-DOTOQJQBSA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087917 457053891 /nfs/dbraw/zinc/05/38/91/457053891.db2.gz HZHMPOGVQZXTKI-DOTOQJQBSA-N 2 2 335.517 3.158 20 0 EGADLP CSCc1cnc(C[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)s1 ZINC000339333584 457056674 /nfs/dbraw/zinc/05/66/74/457056674.db2.gz YLESJNIHZXIQBU-UHFFFAOYSA-N 2 2 339.505 3.497 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093715 457058442 /nfs/dbraw/zinc/05/84/42/457058442.db2.gz QZGBATVACZDMJM-QRQLOZEOSA-N 2 2 344.499 3.361 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093715 457058450 /nfs/dbraw/zinc/05/84/50/457058450.db2.gz QZGBATVACZDMJM-QRQLOZEOSA-N 2 2 344.499 3.361 20 0 EGADLP CN(Cc1ccc(F)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362720185 457061027 /nfs/dbraw/zinc/06/10/27/457061027.db2.gz SVGIRFYISPBCIE-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1ccc(F)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362720185 457061034 /nfs/dbraw/zinc/06/10/34/457061034.db2.gz SVGIRFYISPBCIE-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362720185 457061038 /nfs/dbraw/zinc/06/10/38/457061038.db2.gz SVGIRFYISPBCIE-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362720185 457061043 /nfs/dbraw/zinc/06/10/43/457061043.db2.gz SVGIRFYISPBCIE-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccsc1 ZINC000346599218 457069594 /nfs/dbraw/zinc/06/95/94/457069594.db2.gz ZMJDVPVOPQDBPL-OAHLLOKOSA-N 2 2 331.489 3.243 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](CC)CN1C(C)=O ZINC000354127306 457082130 /nfs/dbraw/zinc/08/21/30/457082130.db2.gz OAPFFJQWEOEXRV-RTBURBONSA-N 2 2 340.471 3.094 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](CC)CN1C(C)=O ZINC000354127306 457082136 /nfs/dbraw/zinc/08/21/36/457082136.db2.gz OAPFFJQWEOEXRV-RTBURBONSA-N 2 2 340.471 3.094 20 0 EGADLP Cc1cn2cc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc2[nH+]1 ZINC000356647523 457101114 /nfs/dbraw/zinc/10/11/14/457101114.db2.gz GHBYKLDWRIRIIP-UHFFFAOYSA-N 2 2 331.464 3.225 20 0 EGADLP CSc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)OCCO2 ZINC000354167555 457105353 /nfs/dbraw/zinc/10/53/53/457105353.db2.gz RIYKMJGAASDLFO-IBGZPJMESA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCC[NH+](C)C3)OCCO2 ZINC000354167555 457105359 /nfs/dbraw/zinc/10/53/59/457105359.db2.gz RIYKMJGAASDLFO-IBGZPJMESA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CC[C@@]3(C1)CCC[N@H+](C)C3)OCCO2 ZINC000354167555 457105364 /nfs/dbraw/zinc/10/53/64/457105364.db2.gz RIYKMJGAASDLFO-IBGZPJMESA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[NH+]1CC[C@@]3(C1)CCC[N@@H+](C)C3)OCCO2 ZINC000354167555 457105370 /nfs/dbraw/zinc/10/53/70/457105370.db2.gz RIYKMJGAASDLFO-IBGZPJMESA-N 2 2 348.512 3.097 20 0 EGADLP CC1(C)C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC(C)(C)O1 ZINC000342129954 457125685 /nfs/dbraw/zinc/12/56/85/457125685.db2.gz OPYVOJLYFNMEOP-IBGZPJMESA-N 2 2 346.515 3.167 20 0 EGADLP CC1(C)C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC(C)(C)O1 ZINC000342129954 457125690 /nfs/dbraw/zinc/12/56/90/457125690.db2.gz OPYVOJLYFNMEOP-IBGZPJMESA-N 2 2 346.515 3.167 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000346738418 457139376 /nfs/dbraw/zinc/13/93/76/457139376.db2.gz BMTSGLQKYBRRPV-IRXDYDNUSA-N 2 2 331.508 3.247 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCNc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000346738418 457139381 /nfs/dbraw/zinc/13/93/81/457139381.db2.gz BMTSGLQKYBRRPV-IRXDYDNUSA-N 2 2 331.508 3.247 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(C)c1OC ZINC000342187281 457157707 /nfs/dbraw/zinc/15/77/07/457157707.db2.gz LZUXMUOTTZQWOY-INIZCTEOSA-N 2 2 329.444 3.184 20 0 EGADLP c1ccc2nc(C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)ccc2c1 ZINC000346778073 457164743 /nfs/dbraw/zinc/16/47/43/457164743.db2.gz LVQNQAUBDXDQKQ-UHFFFAOYSA-N 2 2 332.451 3.384 20 0 EGADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000356877196 457193897 /nfs/dbraw/zinc/19/38/97/457193897.db2.gz SCOCQGALURSELC-QGZVFWFLSA-N 2 2 339.483 3.327 20 0 EGADLP CCCCNC(=O)CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659858 457197475 /nfs/dbraw/zinc/19/74/75/457197475.db2.gz CEPYCYGMWADKSP-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CCCCNC(=O)CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659858 457197480 /nfs/dbraw/zinc/19/74/80/457197480.db2.gz CEPYCYGMWADKSP-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000354409801 457203681 /nfs/dbraw/zinc/20/36/81/457203681.db2.gz LNBNTGBBAVKKBZ-AWEZNQCLSA-N 2 2 339.395 3.493 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000347078480 457218215 /nfs/dbraw/zinc/21/82/15/457218215.db2.gz VRPSKEIXHLRQKZ-STQMWFEESA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1OC(F)F ZINC000347078480 457218221 /nfs/dbraw/zinc/21/82/21/457218221.db2.gz VRPSKEIXHLRQKZ-STQMWFEESA-N 2 2 328.403 3.246 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)s1 ZINC000342300857 457223598 /nfs/dbraw/zinc/22/35/98/457223598.db2.gz MLQITVJRZGQSAM-HNNXBMFYSA-N 2 2 339.892 3.071 20 0 EGADLP COC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(Cl)c1 ZINC000342407766 457285784 /nfs/dbraw/zinc/28/57/84/457285784.db2.gz BIZDAGVRAMORGC-OAHLLOKOSA-N 2 2 339.892 3.335 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832213 457298236 /nfs/dbraw/zinc/29/82/36/457298236.db2.gz VCFLEWMCDYHJJP-HXUWFJFHSA-N 2 2 338.499 3.095 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832213 457298241 /nfs/dbraw/zinc/29/82/41/457298241.db2.gz VCFLEWMCDYHJJP-HXUWFJFHSA-N 2 2 338.499 3.095 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832213 457298247 /nfs/dbraw/zinc/29/82/47/457298247.db2.gz VCFLEWMCDYHJJP-HXUWFJFHSA-N 2 2 338.499 3.095 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000339832213 457298251 /nfs/dbraw/zinc/29/82/51/457298251.db2.gz VCFLEWMCDYHJJP-HXUWFJFHSA-N 2 2 338.499 3.095 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087920 457315318 /nfs/dbraw/zinc/31/53/18/457315318.db2.gz SNJWDSDQVGDNKU-IAGOWNOFSA-N 2 2 343.515 3.413 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087920 457315323 /nfs/dbraw/zinc/31/53/23/457315323.db2.gz SNJWDSDQVGDNKU-IAGOWNOFSA-N 2 2 343.515 3.413 20 0 EGADLP Cc1cc(N2CC[NH+](CCCc3ccncc3)CC2)nc(C(C)C)[nH+]1 ZINC000347357342 457372567 /nfs/dbraw/zinc/37/25/67/457372567.db2.gz JPNYMDWHIWLWMC-UHFFFAOYSA-N 2 2 339.487 3.058 20 0 EGADLP CCc1nnc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447850 457373335 /nfs/dbraw/zinc/37/33/35/457373335.db2.gz OVGBAZQYBMXDFV-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447850 457373339 /nfs/dbraw/zinc/37/33/39/457373339.db2.gz OVGBAZQYBMXDFV-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447850 457373347 /nfs/dbraw/zinc/37/33/47/457373347.db2.gz OVGBAZQYBMXDFV-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000352447850 457373351 /nfs/dbraw/zinc/37/33/51/457373351.db2.gz OVGBAZQYBMXDFV-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(SC)cc1OC ZINC000352535310 457446328 /nfs/dbraw/zinc/44/63/28/457446328.db2.gz OYEPKWANHOWCSJ-GOSISDBHSA-N 2 2 336.501 3.001 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(SC)cc1OC ZINC000352535310 457446330 /nfs/dbraw/zinc/44/63/30/457446330.db2.gz OYEPKWANHOWCSJ-GOSISDBHSA-N 2 2 336.501 3.001 20 0 EGADLP Fc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000395033467 457475144 /nfs/dbraw/zinc/47/51/44/457475144.db2.gz YQBVBLZYOLEGCP-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Fc1c(Br)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000395033467 457475134 /nfs/dbraw/zinc/47/51/34/457475134.db2.gz YQBVBLZYOLEGCP-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000397322163 457486309 /nfs/dbraw/zinc/48/63/09/457486309.db2.gz NJKDJDKCMBPJHO-SNPRPXQTSA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000397322163 457486318 /nfs/dbraw/zinc/48/63/18/457486318.db2.gz NJKDJDKCMBPJHO-SNPRPXQTSA-N 2 2 337.895 3.201 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000347534231 457491129 /nfs/dbraw/zinc/49/11/29/457491129.db2.gz WPOVGKCRLCVWKB-CYBMUJFWSA-N 2 2 338.521 3.234 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000360998665 457500792 /nfs/dbraw/zinc/50/07/92/457500792.db2.gz QIFDBCXWBHTHCV-IBGZPJMESA-N 2 2 332.488 3.249 20 0 EGADLP CC[N@H+](Cc1cnn(C)c1)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352671513 457518088 /nfs/dbraw/zinc/51/80/88/457518088.db2.gz JCRFGEXKMXWQHA-UHFFFAOYSA-N 2 2 328.504 3.400 20 0 EGADLP CC[N@@H+](Cc1cnn(C)c1)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000352671513 457518098 /nfs/dbraw/zinc/51/80/98/457518098.db2.gz JCRFGEXKMXWQHA-UHFFFAOYSA-N 2 2 328.504 3.400 20 0 EGADLP CC[NH+](Cc1cnn(C)c1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000352671513 457518104 /nfs/dbraw/zinc/51/81/04/457518104.db2.gz JCRFGEXKMXWQHA-UHFFFAOYSA-N 2 2 328.504 3.400 20 0 EGADLP CC[NH+](Cc1cnn(C)c1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352671513 457518109 /nfs/dbraw/zinc/51/81/09/457518109.db2.gz JCRFGEXKMXWQHA-UHFFFAOYSA-N 2 2 328.504 3.400 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000361036117 457530148 /nfs/dbraw/zinc/53/01/48/457530148.db2.gz JOPSQVQNSZETIP-HNNXBMFYSA-N 2 2 328.909 3.435 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000352695560 457537643 /nfs/dbraw/zinc/53/76/43/457537643.db2.gz WZAFBEIQJUFESO-ROUUACIJSA-N 2 2 333.495 3.125 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404278231 457540334 /nfs/dbraw/zinc/54/03/34/457540334.db2.gz OCYWSYLRVFFOSB-XJKSGUPXSA-N 2 2 337.895 3.345 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(Cl)c1 ZINC000404278231 457540338 /nfs/dbraw/zinc/54/03/38/457540338.db2.gz OCYWSYLRVFFOSB-XJKSGUPXSA-N 2 2 337.895 3.345 20 0 EGADLP COCc1cc(NCCNc2cccc(C)[nH+]2)c2cc(F)ccc2[nH+]1 ZINC000357493227 457563995 /nfs/dbraw/zinc/56/39/95/457563995.db2.gz VRDWPATZAJFFSL-UHFFFAOYSA-N 2 2 340.402 3.170 20 0 EGADLP Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352740834 457574081 /nfs/dbraw/zinc/57/40/81/457574081.db2.gz ANRQJOIBSXKGOP-UHFFFAOYSA-N 2 2 343.500 3.116 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)n21 ZINC000356395753 457603649 /nfs/dbraw/zinc/60/36/49/457603649.db2.gz NSGMUUQAOLUWSR-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)n21 ZINC000356395753 457603654 /nfs/dbraw/zinc/60/36/54/457603654.db2.gz NSGMUUQAOLUWSR-GOSISDBHSA-N 2 2 332.451 3.280 20 0 EGADLP c1nc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(-c2ccccc2)o1 ZINC000364493113 457622838 /nfs/dbraw/zinc/62/28/38/457622838.db2.gz LNHXPHDREPSGIE-UHFFFAOYSA-N 2 2 348.450 3.491 20 0 EGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000374573673 457663637 /nfs/dbraw/zinc/66/36/37/457663637.db2.gz DELAIYRPKCHXHE-PBHICJAKSA-N 2 2 326.444 3.378 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000374577325 457664333 /nfs/dbraw/zinc/66/43/33/457664333.db2.gz RJOJLUIGWFYDRP-FUHWJXTLSA-N 2 2 343.471 3.445 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000361254434 457667997 /nfs/dbraw/zinc/66/79/97/457667997.db2.gz YKNSYCWOOTUCGU-KBPBESRZSA-N 2 2 339.443 3.256 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000361254434 457668003 /nfs/dbraw/zinc/66/80/03/457668003.db2.gz YKNSYCWOOTUCGU-KBPBESRZSA-N 2 2 339.443 3.256 20 0 EGADLP Cc1cc(OCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1C(C)C ZINC000357728393 457670965 /nfs/dbraw/zinc/67/09/65/457670965.db2.gz BBHRYZWUTQRWKB-UHFFFAOYSA-N 2 2 342.487 3.038 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283528 457678043 /nfs/dbraw/zinc/67/80/43/457678043.db2.gz YPKWEGGCPIUJSB-IFXJQAMLSA-N 2 2 329.419 3.443 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000361283528 457678047 /nfs/dbraw/zinc/67/80/47/457678047.db2.gz YPKWEGGCPIUJSB-IFXJQAMLSA-N 2 2 329.419 3.443 20 0 EGADLP CC1CC[NH+](CCN2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)CC1 ZINC000357806974 457696882 /nfs/dbraw/zinc/69/68/82/457696882.db2.gz OSISXXKVAXIIKX-UHFFFAOYSA-N 2 2 342.462 3.101 20 0 EGADLP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000357820099 457701698 /nfs/dbraw/zinc/70/16/98/457701698.db2.gz SRNBAUPEVPGSFD-VQTJNVASSA-N 2 2 336.483 3.360 20 0 EGADLP Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000357820099 457701701 /nfs/dbraw/zinc/70/17/01/457701701.db2.gz SRNBAUPEVPGSFD-VQTJNVASSA-N 2 2 336.483 3.360 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[N@@H+]3CCCC(C)(C)C3)CC2)n1 ZINC000361431913 457729981 /nfs/dbraw/zinc/72/99/81/457729981.db2.gz GHTOEIXNAPXFNU-UHFFFAOYSA-N 2 2 336.549 3.132 20 0 EGADLP Cc1csc(N2CCC([NH2+]CC[N@H+]3CCCC(C)(C)C3)CC2)n1 ZINC000361431913 457729983 /nfs/dbraw/zinc/72/99/83/457729983.db2.gz GHTOEIXNAPXFNU-UHFFFAOYSA-N 2 2 336.549 3.132 20 0 EGADLP C[NH+](C)CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000361455224 457737354 /nfs/dbraw/zinc/73/73/54/457737354.db2.gz BNFBXGYQIWZCAL-UHFFFAOYSA-N 3 2 335.458 3.115 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1nnc2ccccn21 ZINC000358079426 457771013 /nfs/dbraw/zinc/77/10/13/457771013.db2.gz FLACGQNOZBKXJW-OAHLLOKOSA-N 2 2 327.476 3.177 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358077839 457771378 /nfs/dbraw/zinc/77/13/78/457771378.db2.gz BFQMXELTWPYWKJ-LQWHRVPQSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358077839 457771380 /nfs/dbraw/zinc/77/13/80/457771380.db2.gz BFQMXELTWPYWKJ-LQWHRVPQSA-N 3 2 340.515 3.328 20 0 EGADLP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000443506704 457772289 /nfs/dbraw/zinc/77/22/89/457772289.db2.gz CTWGOGLQLHVKTF-JTQLQIEISA-N 2 2 340.240 3.310 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411216748 457833084 /nfs/dbraw/zinc/83/30/84/457833084.db2.gz FPFXDKIKKAAYPB-SGLNWRHMSA-N 2 2 345.506 3.172 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536719 457842458 /nfs/dbraw/zinc/84/24/58/457842458.db2.gz TVIUZIXURDJNGH-INIZCTEOSA-N 2 2 346.368 3.294 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536719 457842465 /nfs/dbraw/zinc/84/24/65/457842465.db2.gz TVIUZIXURDJNGH-INIZCTEOSA-N 2 2 346.368 3.294 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536719 457842474 /nfs/dbraw/zinc/84/24/74/457842474.db2.gz TVIUZIXURDJNGH-INIZCTEOSA-N 2 2 346.368 3.294 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000366536719 457842481 /nfs/dbraw/zinc/84/24/81/457842481.db2.gz TVIUZIXURDJNGH-INIZCTEOSA-N 2 2 346.368 3.294 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000358196833 457852567 /nfs/dbraw/zinc/85/25/67/457852567.db2.gz FBAQULGLMUSUKV-HXUWFJFHSA-N 2 2 343.446 3.162 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000371331474 457872896 /nfs/dbraw/zinc/87/28/96/457872896.db2.gz IEFDZSUUKLWVOZ-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000371331474 457872902 /nfs/dbraw/zinc/87/29/02/457872902.db2.gz IEFDZSUUKLWVOZ-INIZCTEOSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1ccnc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)c1 ZINC000361824506 457887187 /nfs/dbraw/zinc/88/71/87/457887187.db2.gz DCGGMFWEPOSFFZ-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361826534 457888847 /nfs/dbraw/zinc/88/88/47/457888847.db2.gz YTLLJJFQHVDFPU-INIZCTEOSA-N 2 2 339.361 3.070 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000361826534 457888851 /nfs/dbraw/zinc/88/88/51/457888851.db2.gz YTLLJJFQHVDFPU-INIZCTEOSA-N 2 2 339.361 3.070 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253491 457889610 /nfs/dbraw/zinc/88/96/10/457889610.db2.gz NVBLEDIXFWWKDO-HZMBPMFUSA-N 2 2 335.300 3.089 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253491 457889614 /nfs/dbraw/zinc/88/96/14/457889614.db2.gz NVBLEDIXFWWKDO-HZMBPMFUSA-N 2 2 335.300 3.089 20 0 EGADLP CCOC(=O)[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000444605141 457916879 /nfs/dbraw/zinc/91/68/79/457916879.db2.gz CECILJFXOBDLFF-LJQANCHMSA-N 2 2 330.472 3.025 20 0 EGADLP CCOC(=O)[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000444605141 457916890 /nfs/dbraw/zinc/91/68/90/457916890.db2.gz CECILJFXOBDLFF-LJQANCHMSA-N 2 2 330.472 3.025 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302252 457920083 /nfs/dbraw/zinc/92/00/83/457920083.db2.gz PYRMQXYVMICYGV-YZGWKJHDSA-N 2 2 344.499 3.140 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302252 457920084 /nfs/dbraw/zinc/92/00/84/457920084.db2.gz PYRMQXYVMICYGV-YZGWKJHDSA-N 2 2 344.499 3.140 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343730 457947451 /nfs/dbraw/zinc/94/74/51/457947451.db2.gz UCPOGQYRHICQCI-OXJNMPFZSA-N 2 2 334.467 3.216 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000358343730 457947456 /nfs/dbraw/zinc/94/74/56/457947456.db2.gz UCPOGQYRHICQCI-OXJNMPFZSA-N 2 2 334.467 3.216 20 0 EGADLP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCCn1cc[nH+]c1 ZINC000371471506 457949070 /nfs/dbraw/zinc/94/90/70/457949070.db2.gz UZMKODDNIHVHFE-UHFFFAOYSA-N 2 2 341.434 3.367 20 0 EGADLP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCCn1cc[nH+]c1 ZINC000371471506 457949074 /nfs/dbraw/zinc/94/90/74/457949074.db2.gz UZMKODDNIHVHFE-UHFFFAOYSA-N 2 2 341.434 3.367 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1nc2ccc(Cl)cc2n1C ZINC000427870409 458046658 /nfs/dbraw/zinc/04/66/58/458046658.db2.gz YDTQISDGNGSEHM-DGCLKSJQSA-N 2 2 329.835 3.089 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)(F)F ZINC000427889582 458048184 /nfs/dbraw/zinc/04/81/84/458048184.db2.gz HFEGLLVJQXDKEV-RYUDHWBXSA-N 2 2 325.334 3.447 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1cccc(Cl)c1 ZINC000368935527 458066932 /nfs/dbraw/zinc/06/69/32/458066932.db2.gz ZXDZNMXILNETAV-HLIPFELVSA-N 2 2 349.950 3.401 20 0 EGADLP C[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1cccc(Cl)c1 ZINC000368935527 458066934 /nfs/dbraw/zinc/06/69/34/458066934.db2.gz ZXDZNMXILNETAV-HLIPFELVSA-N 2 2 349.950 3.401 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(-c3cnn(C)c3)s1)CCC2 ZINC000369215701 458127485 /nfs/dbraw/zinc/12/74/85/458127485.db2.gz RBRGFUVYCVRKHQ-CQSZACIVSA-N 2 2 341.484 3.321 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000435378984 458128606 /nfs/dbraw/zinc/12/86/06/458128606.db2.gz HHCZDPDZBCIDER-COXVUDFISA-N 2 2 338.879 3.067 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000435378984 458128612 /nfs/dbraw/zinc/12/86/12/458128612.db2.gz HHCZDPDZBCIDER-COXVUDFISA-N 2 2 338.879 3.067 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000428423237 458139677 /nfs/dbraw/zinc/13/96/77/458139677.db2.gz TURLZUJGBQDLDS-IAGOWNOFSA-N 2 2 348.535 3.097 20 0 EGADLP Cn1ccnc1C[N@H+](C/C=C\c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432734 458144088 /nfs/dbraw/zinc/14/40/88/458144088.db2.gz OMJGBHICIGJCEY-NVAPOSRTSA-N 2 2 336.483 3.078 20 0 EGADLP Cn1ccnc1C[N@@H+](C/C=C\c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432734 458144091 /nfs/dbraw/zinc/14/40/91/458144091.db2.gz OMJGBHICIGJCEY-NVAPOSRTSA-N 2 2 336.483 3.078 20 0 EGADLP Cc1cc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)ccc1F ZINC000435436566 458146712 /nfs/dbraw/zinc/14/67/12/458146712.db2.gz GBNCRKCZVNVZMB-GOSISDBHSA-N 2 2 342.462 3.012 20 0 EGADLP Cc1cc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)ccc1F ZINC000435436566 458146718 /nfs/dbraw/zinc/14/67/18/458146718.db2.gz GBNCRKCZVNVZMB-GOSISDBHSA-N 2 2 342.462 3.012 20 0 EGADLP C[C@@H](CCc1cccn1C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358713235 458165562 /nfs/dbraw/zinc/16/55/62/458165562.db2.gz KBEAZBOZYQEXFO-AWEZNQCLSA-N 2 2 331.426 3.353 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000362433067 458172942 /nfs/dbraw/zinc/17/29/42/458172942.db2.gz CIRBXRINWHFJCK-KRWDZBQOSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc[nH+]c(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000362433067 458172949 /nfs/dbraw/zinc/17/29/49/458172949.db2.gz CIRBXRINWHFJCK-KRWDZBQOSA-N 2 2 325.456 3.187 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435628441 458176688 /nfs/dbraw/zinc/17/66/88/458176688.db2.gz QUVULMNGIBAENF-CYBMUJFWSA-N 2 2 344.286 3.396 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435737245 458192873 /nfs/dbraw/zinc/19/28/73/458192873.db2.gz GIENGZNCDLNLRV-HNNXBMFYSA-N 2 2 349.475 3.081 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435737245 458192878 /nfs/dbraw/zinc/19/28/78/458192878.db2.gz GIENGZNCDLNLRV-HNNXBMFYSA-N 2 2 349.475 3.081 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000362480091 458206895 /nfs/dbraw/zinc/20/68/95/458206895.db2.gz QMEKXSXORNRKPJ-OAHLLOKOSA-N 2 2 336.501 3.007 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)s1 ZINC000362480091 458206899 /nfs/dbraw/zinc/20/68/99/458206899.db2.gz QMEKXSXORNRKPJ-OAHLLOKOSA-N 2 2 336.501 3.007 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)s1 ZINC000362480091 458206906 /nfs/dbraw/zinc/20/69/06/458206906.db2.gz QMEKXSXORNRKPJ-OAHLLOKOSA-N 2 2 336.501 3.007 20 0 EGADLP COC(=O)c1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)s1 ZINC000362480091 458206910 /nfs/dbraw/zinc/20/69/10/458206910.db2.gz QMEKXSXORNRKPJ-OAHLLOKOSA-N 2 2 336.501 3.007 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000459383280 458352189 /nfs/dbraw/zinc/35/21/89/458352189.db2.gz AXAVMMKTMIPWDB-INIZCTEOSA-N 3 2 333.545 3.177 20 0 EGADLP CSCC[C@@H](C)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687688 458358992 /nfs/dbraw/zinc/35/89/92/458358992.db2.gz ADBFFBQHLRERKN-MJGOQNOKSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@@H](C)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429687688 458358995 /nfs/dbraw/zinc/35/89/95/458358995.db2.gz ADBFFBQHLRERKN-MJGOQNOKSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@@H](C)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429687688 458358998 /nfs/dbraw/zinc/35/89/98/458358998.db2.gz ADBFFBQHLRERKN-MJGOQNOKSA-N 2 2 336.545 3.351 20 0 EGADLP CSCC[C@@H](C)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429687688 458359000 /nfs/dbraw/zinc/35/90/00/458359000.db2.gz ADBFFBQHLRERKN-MJGOQNOKSA-N 2 2 336.545 3.351 20 0 EGADLP Oc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1Br ZINC000459451143 458376117 /nfs/dbraw/zinc/37/61/17/458376117.db2.gz ANVQEWVXPKZSCB-UHFFFAOYSA-N 2 2 336.233 3.142 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(OC[C@@H]3CCCO3)cc1)CCCC2 ZINC000376728439 458377496 /nfs/dbraw/zinc/37/74/96/458377496.db2.gz KHUNVDWUJJZRSJ-IBGZPJMESA-N 2 2 341.455 3.067 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CC4(CCC4)C3)CC2)c1 ZINC000448068564 458385951 /nfs/dbraw/zinc/38/59/51/458385951.db2.gz BMKUYRCEIMVLQS-UHFFFAOYSA-N 2 2 327.516 3.429 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105817 458427297 /nfs/dbraw/zinc/42/72/97/458427297.db2.gz FGDNAVVRQAFSPP-NJDAHSKKSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000437105817 458427302 /nfs/dbraw/zinc/42/73/02/458427302.db2.gz FGDNAVVRQAFSPP-NJDAHSKKSA-N 3 2 341.543 3.361 20 0 EGADLP COC(=O)[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C)c(C)c1 ZINC000459617303 458429388 /nfs/dbraw/zinc/42/93/88/458429388.db2.gz DJVVGWWZDJTIKT-GOSISDBHSA-N 2 2 329.444 3.092 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)CC2)n1 ZINC000373206655 458430265 /nfs/dbraw/zinc/43/02/65/458430265.db2.gz ULAJFWRSULHQMQ-KRWDZBQOSA-N 2 2 334.533 3.027 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)CC2)n1 ZINC000373206655 458430267 /nfs/dbraw/zinc/43/02/67/458430267.db2.gz ULAJFWRSULHQMQ-KRWDZBQOSA-N 2 2 334.533 3.027 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2nccn21 ZINC000423481002 458439631 /nfs/dbraw/zinc/43/96/31/458439631.db2.gz WLYZGXDLQJSSKG-AETAKHFUSA-N 2 2 328.435 3.011 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000423497055 458443487 /nfs/dbraw/zinc/44/34/87/458443487.db2.gz FXCBOVJNKMXIIQ-KXBFYZLASA-N 2 2 335.455 3.180 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)nnn1-c1ccc(Cl)cc1 ZINC000423516634 458449033 /nfs/dbraw/zinc/44/90/33/458449033.db2.gz AXYNOMBGUDUPQX-GFCCVEGCSA-N 2 2 333.867 3.022 20 0 EGADLP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526178 458450944 /nfs/dbraw/zinc/45/09/44/458450944.db2.gz UYVCZUOEEPGHPR-HOTGVXAUSA-N 2 2 329.410 3.040 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000423541330 458454482 /nfs/dbraw/zinc/45/44/82/458454482.db2.gz AQURPIHWXZELGX-SFHVURJKSA-N 3 2 338.499 3.034 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000430539784 458458083 /nfs/dbraw/zinc/45/80/83/458458083.db2.gz FVBABBITWAICIP-RHSMWYFYSA-N 2 2 339.549 3.257 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000430539784 458458086 /nfs/dbraw/zinc/45/80/86/458458086.db2.gz FVBABBITWAICIP-RHSMWYFYSA-N 2 2 339.549 3.257 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000423582303 458459227 /nfs/dbraw/zinc/45/92/27/458459227.db2.gz ZVKWVFVIQSGJGU-QGZVFWFLSA-N 3 2 339.483 3.036 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555412 458461104 /nfs/dbraw/zinc/46/11/04/458461104.db2.gz XCVPICMJXKEACB-FUHWJXTLSA-N 2 2 337.467 3.351 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430555412 458461112 /nfs/dbraw/zinc/46/11/12/458461112.db2.gz XCVPICMJXKEACB-FUHWJXTLSA-N 2 2 337.467 3.351 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000430571377 458464112 /nfs/dbraw/zinc/46/41/12/458464112.db2.gz CQMRGJDIGZMSMQ-WMLDXEAASA-N 2 2 339.911 3.165 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000430571377 458464116 /nfs/dbraw/zinc/46/41/16/458464116.db2.gz CQMRGJDIGZMSMQ-WMLDXEAASA-N 2 2 339.911 3.165 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000430593383 458468290 /nfs/dbraw/zinc/46/82/90/458468290.db2.gz SJGDOAKNBGFUJX-JXFKEZNVSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000430593383 458468294 /nfs/dbraw/zinc/46/82/94/458468294.db2.gz SJGDOAKNBGFUJX-JXFKEZNVSA-N 2 2 341.499 3.322 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c(Cl)c1 ZINC000430597581 458469018 /nfs/dbraw/zinc/46/90/18/458469018.db2.gz QOJFPPDQHLNGBK-CYBMUJFWSA-N 2 2 325.884 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c(Cl)c1 ZINC000430597581 458469022 /nfs/dbraw/zinc/46/90/22/458469022.db2.gz QOJFPPDQHLNGBK-CYBMUJFWSA-N 2 2 325.884 3.201 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430598397 458469688 /nfs/dbraw/zinc/46/96/88/458469688.db2.gz NZXZOKRXQJXIGU-YQQAZPJKSA-N 2 2 343.471 3.011 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430598397 458469692 /nfs/dbraw/zinc/46/96/92/458469692.db2.gz NZXZOKRXQJXIGU-YQQAZPJKSA-N 2 2 343.471 3.011 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640337 458474027 /nfs/dbraw/zinc/47/40/27/458474027.db2.gz HDHHJROARXBUIM-YLJYHZDGSA-N 2 2 337.467 3.298 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430640337 458474032 /nfs/dbraw/zinc/47/40/32/458474032.db2.gz HDHHJROARXBUIM-YLJYHZDGSA-N 2 2 337.467 3.298 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430646155 458474105 /nfs/dbraw/zinc/47/41/05/458474105.db2.gz DMCBBZYSPIOLGS-SFHVURJKSA-N 2 2 337.467 3.495 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430646155 458474109 /nfs/dbraw/zinc/47/41/09/458474109.db2.gz DMCBBZYSPIOLGS-SFHVURJKSA-N 2 2 337.467 3.495 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638592 458474601 /nfs/dbraw/zinc/47/46/01/458474601.db2.gz FXFFLWABIKEJDS-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000430638592 458474608 /nfs/dbraw/zinc/47/46/08/458474608.db2.gz FXFFLWABIKEJDS-OXJNMPFZSA-N 2 2 325.456 3.362 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1)c1cccc2ccccc21 ZINC000430639807 458474628 /nfs/dbraw/zinc/47/46/28/458474628.db2.gz GHBGNZMXUAABPE-QGZVFWFLSA-N 2 2 339.483 3.124 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1)c1cccc2ccccc21 ZINC000430639807 458474636 /nfs/dbraw/zinc/47/46/36/458474636.db2.gz GHBGNZMXUAABPE-QGZVFWFLSA-N 2 2 339.483 3.124 20 0 EGADLP Cn1c2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000423808901 458488276 /nfs/dbraw/zinc/48/82/76/458488276.db2.gz JETCGEIXLUTNPI-HXUWFJFHSA-N 2 2 334.423 3.263 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2[nH+]c1C1CC1 ZINC000423817045 458489299 /nfs/dbraw/zinc/48/92/99/458489299.db2.gz XJAARAHDOLBOIZ-SFHVURJKSA-N 2 2 346.434 3.104 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423821570 458490876 /nfs/dbraw/zinc/49/08/76/458490876.db2.gz RDVQTHIGEHBZCM-KBAYOESNSA-N 2 2 349.544 3.251 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000431029856 458518653 /nfs/dbraw/zinc/51/86/53/458518653.db2.gz HKIJIPAJCMEQOB-UHFFFAOYSA-N 2 2 338.430 3.211 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000377887873 458563876 /nfs/dbraw/zinc/56/38/76/458563876.db2.gz HMNDPWVPXACTIB-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000377887873 458563885 /nfs/dbraw/zinc/56/38/85/458563885.db2.gz HMNDPWVPXACTIB-LJQANCHMSA-N 2 2 348.450 3.384 20 0 EGADLP Cc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc(C(C)C)[nH+]1 ZINC000431374290 458564330 /nfs/dbraw/zinc/56/43/30/458564330.db2.gz NKBXPTNWVOVBKH-HNNXBMFYSA-N 2 2 325.460 3.435 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000431422632 458571865 /nfs/dbraw/zinc/57/18/65/458571865.db2.gz QCZXCGKEUCGFFP-UHFFFAOYSA-N 2 2 330.451 3.201 20 0 EGADLP F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000424185929 458580144 /nfs/dbraw/zinc/58/01/44/458580144.db2.gz RIBAXDRDSYVRTH-UXHICEINSA-N 2 2 325.431 3.273 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000377967342 458584791 /nfs/dbraw/zinc/58/47/91/458584791.db2.gz ZLVZGJJMDKPWHC-HOCLYGCPSA-N 2 2 329.444 3.437 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+](C)Cc1ccccc1 ZINC000493929625 458601292 /nfs/dbraw/zinc/60/12/92/458601292.db2.gz ZBTGIARCXQOTLI-VBSBHUPXSA-N 2 2 328.500 3.444 20 0 EGADLP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929625 458601298 /nfs/dbraw/zinc/60/12/98/458601298.db2.gz ZBTGIARCXQOTLI-VBSBHUPXSA-N 2 2 328.500 3.444 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCC3)C2 ZINC000493933661 458602274 /nfs/dbraw/zinc/60/22/74/458602274.db2.gz DVXYJNZFCTWFLE-IHETXDGRSA-N 2 2 329.488 3.043 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](Cc3cc(-c4ccccc4)cs3)C[C@H]2[NH3+])cn1 ZINC000424375052 458627392 /nfs/dbraw/zinc/62/73/92/458627392.db2.gz JDYAONLELLFDSN-RBUKOAKNSA-N 2 2 338.480 3.075 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)cs3)C[C@H]2[NH3+])cn1 ZINC000424375052 458627399 /nfs/dbraw/zinc/62/73/99/458627399.db2.gz JDYAONLELLFDSN-RBUKOAKNSA-N 2 2 338.480 3.075 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000456415919 458670551 /nfs/dbraw/zinc/67/05/51/458670551.db2.gz JOEVECBXDOHJTM-WMLDXEAASA-N 2 2 326.444 3.161 20 0 EGADLP CCc1cnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)o1 ZINC000530337263 458750075 /nfs/dbraw/zinc/75/00/75/458750075.db2.gz LXGMYLIVUJQCCI-HZPDHXFCSA-N 2 2 327.472 3.483 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000464774045 458771981 /nfs/dbraw/zinc/77/19/81/458771981.db2.gz HQBPZWZCDYEASW-IBGZPJMESA-N 2 2 337.552 3.127 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000464774045 458771986 /nfs/dbraw/zinc/77/19/86/458771986.db2.gz HQBPZWZCDYEASW-IBGZPJMESA-N 2 2 337.552 3.127 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721848 458774775 /nfs/dbraw/zinc/77/47/75/458774775.db2.gz FPXPZZAXBQQBLG-FVQBIDKESA-N 2 2 349.475 3.119 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721848 458774779 /nfs/dbraw/zinc/77/47/79/458774779.db2.gz FPXPZZAXBQQBLG-FVQBIDKESA-N 2 2 349.475 3.119 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cn2ccccc2n1 ZINC000547727804 458780943 /nfs/dbraw/zinc/78/09/43/458780943.db2.gz ZDTZJYYCENKLJW-INIZCTEOSA-N 2 2 331.423 3.430 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432863786 458803275 /nfs/dbraw/zinc/80/32/75/458803275.db2.gz JPFSVYCAYGEKJT-RDJZCZTQSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432863786 458803279 /nfs/dbraw/zinc/80/32/79/458803279.db2.gz JPFSVYCAYGEKJT-RDJZCZTQSA-N 2 2 341.503 3.102 20 0 EGADLP Cc1cccn2cc(Cc3nc(-c4ccc(C[NH+](C)C)cc4)no3)[nH+]c12 ZINC000530633268 458803588 /nfs/dbraw/zinc/80/35/88/458803588.db2.gz LXOUZOKDPNHIPR-UHFFFAOYSA-N 2 2 347.422 3.345 20 0 EGADLP Cc1ccccc1C([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1C ZINC000518011438 458835065 /nfs/dbraw/zinc/83/50/65/458835065.db2.gz NBAUUEYPMHHMFS-LJQANCHMSA-N 2 2 338.495 3.438 20 0 EGADLP Cc1ccccc1C([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1C ZINC000518011438 458835069 /nfs/dbraw/zinc/83/50/69/458835069.db2.gz NBAUUEYPMHHMFS-LJQANCHMSA-N 2 2 338.495 3.438 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902185 458843342 /nfs/dbraw/zinc/84/33/42/458843342.db2.gz LTJJZKNLUOKTQC-LMNJBCLMSA-N 2 2 345.531 3.305 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902185 458843345 /nfs/dbraw/zinc/84/33/45/458843345.db2.gz LTJJZKNLUOKTQC-LMNJBCLMSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902185 458843348 /nfs/dbraw/zinc/84/33/48/458843348.db2.gz LTJJZKNLUOKTQC-LMNJBCLMSA-N 2 2 345.531 3.305 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@H]1C ZINC000530902185 458843350 /nfs/dbraw/zinc/84/33/50/458843350.db2.gz LTJJZKNLUOKTQC-LMNJBCLMSA-N 2 2 345.531 3.305 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000531042664 458864223 /nfs/dbraw/zinc/86/42/23/458864223.db2.gz CSNPUYOKTOUIQT-UHFFFAOYSA-N 2 2 340.471 3.175 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+]CCC(C)(C)C(=O)OC)c(C)c2)CC1 ZINC000474383550 458882038 /nfs/dbraw/zinc/88/20/38/458882038.db2.gz CWFULNHPTAJBAJ-UHFFFAOYSA-N 2 2 347.503 3.138 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@H]1C ZINC000474722246 458899159 /nfs/dbraw/zinc/89/91/59/458899159.db2.gz YZVWBRMHLZOGQF-HNULKUCHSA-N 2 2 344.499 3.389 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@H]1C ZINC000474722246 458899163 /nfs/dbraw/zinc/89/91/63/458899163.db2.gz YZVWBRMHLZOGQF-HNULKUCHSA-N 2 2 344.499 3.389 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329880 458919322 /nfs/dbraw/zinc/91/93/22/458919322.db2.gz YPSCWSTYXJMITA-XLIONFOSSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329880 458919326 /nfs/dbraw/zinc/91/93/26/458919326.db2.gz YPSCWSTYXJMITA-XLIONFOSSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441329880 458919329 /nfs/dbraw/zinc/91/93/29/458919329.db2.gz YPSCWSTYXJMITA-XLIONFOSSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441329880 458919332 /nfs/dbraw/zinc/91/93/32/458919332.db2.gz YPSCWSTYXJMITA-XLIONFOSSA-N 2 2 345.531 3.232 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441335094 458921130 /nfs/dbraw/zinc/92/11/30/458921130.db2.gz XLSVIJXYAHXWQD-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000441335094 458921134 /nfs/dbraw/zinc/92/11/34/458921134.db2.gz XLSVIJXYAHXWQD-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000441335094 458921137 /nfs/dbraw/zinc/92/11/37/458921137.db2.gz XLSVIJXYAHXWQD-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000441335094 458921140 /nfs/dbraw/zinc/92/11/40/458921140.db2.gz XLSVIJXYAHXWQD-HKUYNNGSSA-N 2 2 331.504 3.437 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441387570 458933188 /nfs/dbraw/zinc/93/31/88/458933188.db2.gz YCCDYKITDDBUHW-ZHALLVOQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441387570 458933195 /nfs/dbraw/zinc/93/31/95/458933195.db2.gz YCCDYKITDDBUHW-ZHALLVOQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441387570 458933199 /nfs/dbraw/zinc/93/31/99/458933199.db2.gz YCCDYKITDDBUHW-ZHALLVOQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441387570 458933207 /nfs/dbraw/zinc/93/32/07/458933207.db2.gz YCCDYKITDDBUHW-ZHALLVOQSA-N 2 2 343.515 3.159 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026198 458965862 /nfs/dbraw/zinc/96/58/62/458965862.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026198 458965870 /nfs/dbraw/zinc/96/58/70/458965870.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026198 458965878 /nfs/dbraw/zinc/96/58/78/458965878.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCn3cc[nH+]c3)C2)s1 ZINC000577026198 458965884 /nfs/dbraw/zinc/96/58/84/458965884.db2.gz SDWJLHOBFOCWKV-QGZVFWFLSA-N 3 2 332.517 3.097 20 0 EGADLP Cc1cccc(C[C@@H](CO)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000467361000 458969515 /nfs/dbraw/zinc/96/95/15/458969515.db2.gz XWLRUYWRONXWNH-VXKWHMMOSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1cccc(C[C@@H](CO)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000467361000 458969522 /nfs/dbraw/zinc/96/95/22/458969522.db2.gz XWLRUYWRONXWNH-VXKWHMMOSA-N 2 2 338.495 3.153 20 0 EGADLP Fc1ccc([C@@H](NC[C@@H]2[NH2+]CCc3ccccc32)c2[nH]cc[nH+]2)cc1 ZINC000566614234 458970237 /nfs/dbraw/zinc/97/02/37/458970237.db2.gz WZUYEAOCOYHLPE-RBUKOAKNSA-N 2 2 336.414 3.115 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000495849883 458976297 /nfs/dbraw/zinc/97/62/97/458976297.db2.gz LOWAQYSHWXMPQR-WBVHZDCISA-N 2 2 339.524 3.286 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000495849883 458976303 /nfs/dbraw/zinc/97/63/03/458976303.db2.gz LOWAQYSHWXMPQR-WBVHZDCISA-N 2 2 339.524 3.286 20 0 EGADLP C[NH+](C)[C@H](C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)Cc1ccccc1 ZINC000442652989 459021315 /nfs/dbraw/zinc/02/13/15/459021315.db2.gz QSIIERSLIJPDBR-MSOLQXFVSA-N 2 2 333.479 3.398 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000556952453 459036747 /nfs/dbraw/zinc/03/67/47/459036747.db2.gz YXHGGFYYOGJROG-LJQANCHMSA-N 2 2 336.414 3.192 20 0 EGADLP Cn1cc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000577520516 459045729 /nfs/dbraw/zinc/04/57/29/459045729.db2.gz WXMUWQAOLBDJTE-GOSISDBHSA-N 2 2 334.414 3.112 20 0 EGADLP Cn1cc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C(F)F)n1 ZINC000577520516 459045735 /nfs/dbraw/zinc/04/57/35/459045735.db2.gz WXMUWQAOLBDJTE-GOSISDBHSA-N 2 2 334.414 3.112 20 0 EGADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239616 459051997 /nfs/dbraw/zinc/05/19/97/459051997.db2.gz TXFZJTJPXBHUCL-SUMWQHHRSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000532239616 459052001 /nfs/dbraw/zinc/05/20/01/459052001.db2.gz TXFZJTJPXBHUCL-SUMWQHHRSA-N 2 2 337.305 3.238 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000532239255 459052737 /nfs/dbraw/zinc/05/27/37/459052737.db2.gz MGSZFSHAXCALDG-GJZGRUSLSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c(Cl)c1 ZINC000532239255 459052743 /nfs/dbraw/zinc/05/27/43/459052743.db2.gz MGSZFSHAXCALDG-GJZGRUSLSA-N 2 2 337.895 3.297 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+]Cc3c[nH+]c(C)n3C)cn2)c1 ZINC000577628256 459064507 /nfs/dbraw/zinc/06/45/07/459064507.db2.gz VQHLAWCMACWXHG-UHFFFAOYSA-N 2 2 338.411 3.214 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000567279193 459078455 /nfs/dbraw/zinc/07/84/55/459078455.db2.gz ZEUHQWQRBOPXPP-OAQYLSRUSA-N 2 2 338.499 3.292 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000567279193 459078457 /nfs/dbraw/zinc/07/84/57/459078457.db2.gz ZEUHQWQRBOPXPP-OAQYLSRUSA-N 2 2 338.499 3.292 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496137227 459082253 /nfs/dbraw/zinc/08/22/53/459082253.db2.gz ASJWHELZKTXEII-GOSISDBHSA-N 2 2 347.503 3.361 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496137227 459082264 /nfs/dbraw/zinc/08/22/64/459082264.db2.gz ASJWHELZKTXEII-GOSISDBHSA-N 2 2 347.503 3.361 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149720 459087314 /nfs/dbraw/zinc/08/73/14/459087314.db2.gz WKKAFSPTFDGQFS-JKIFEVAISA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496149720 459087320 /nfs/dbraw/zinc/08/73/20/459087320.db2.gz WKKAFSPTFDGQFS-JKIFEVAISA-N 2 2 348.491 3.035 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765320 459091411 /nfs/dbraw/zinc/09/14/11/459091411.db2.gz YKNBZPPRMMGSQX-QFBILLFUSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765320 459091414 /nfs/dbraw/zinc/09/14/14/459091414.db2.gz YKNBZPPRMMGSQX-QFBILLFUSA-N 2 2 337.467 3.028 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H](C)[NH2+]C4CC4)cc3)[nH+]c12 ZINC000578129477 459149951 /nfs/dbraw/zinc/14/99/51/459149951.db2.gz IKHDYRSMQDNPDZ-AWEZNQCLSA-N 2 2 334.423 3.389 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000496327081 459152531 /nfs/dbraw/zinc/15/25/31/459152531.db2.gz NMQIYUDXNKLUIR-INIZCTEOSA-N 2 2 348.491 3.167 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567723920 459153832 /nfs/dbraw/zinc/15/38/32/459153832.db2.gz BSQGLWLNKDCVKH-BEVDRBHNSA-N 2 2 345.918 3.491 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000567723920 459153836 /nfs/dbraw/zinc/15/38/36/459153836.db2.gz BSQGLWLNKDCVKH-BEVDRBHNSA-N 2 2 345.918 3.491 20 0 EGADLP Oc1cccnc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000558402131 459154138 /nfs/dbraw/zinc/15/41/38/459154138.db2.gz ZIVHWWWYXRGNES-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cccnc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000558402131 459154145 /nfs/dbraw/zinc/15/41/45/459154145.db2.gz ZIVHWWWYXRGNES-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000558402131 459154150 /nfs/dbraw/zinc/15/41/50/459154150.db2.gz ZIVHWWWYXRGNES-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000558402131 459154157 /nfs/dbraw/zinc/15/41/57/459154157.db2.gz ZIVHWWWYXRGNES-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352964 459162344 /nfs/dbraw/zinc/16/23/44/459162344.db2.gz WKKAFSPTFDGQFS-CPUCHLNUSA-N 2 2 348.491 3.035 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496352964 459162353 /nfs/dbraw/zinc/16/23/53/459162353.db2.gz WKKAFSPTFDGQFS-CPUCHLNUSA-N 2 2 348.491 3.035 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000578439043 459201458 /nfs/dbraw/zinc/20/14/58/459201458.db2.gz VGJDSXDJFSLTSV-FXAWDEMLSA-N 2 2 338.499 3.005 20 0 EGADLP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000521994040 459201840 /nfs/dbraw/zinc/20/18/40/459201840.db2.gz LARSMWSFITZZBK-CQSZACIVSA-N 2 2 326.444 3.307 20 0 EGADLP C[C@H](c1nc(C2([NH3+])CCCCC2)no1)[N@H+]1CCc2ccccc2C1 ZINC000521994040 459201846 /nfs/dbraw/zinc/20/18/46/459201846.db2.gz LARSMWSFITZZBK-CQSZACIVSA-N 2 2 326.444 3.307 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447106 459237986 /nfs/dbraw/zinc/23/79/86/459237986.db2.gz ATWOGWIMQMZKFK-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447106 459237990 /nfs/dbraw/zinc/23/79/90/459237990.db2.gz ATWOGWIMQMZKFK-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447106 459237993 /nfs/dbraw/zinc/23/79/93/459237993.db2.gz ATWOGWIMQMZKFK-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@@H]1C ZINC000533447106 459237996 /nfs/dbraw/zinc/23/79/96/459237996.db2.gz ATWOGWIMQMZKFK-GOEBONIOSA-N 2 2 337.895 3.392 20 0 EGADLP C[C@@H]1[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000559753078 459276355 /nfs/dbraw/zinc/27/63/55/459276355.db2.gz KYHNNQAPVVHXDB-WIYYLYMNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000559753078 459276360 /nfs/dbraw/zinc/27/63/60/459276360.db2.gz KYHNNQAPVVHXDB-WIYYLYMNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](Cn1cccn1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000559892101 459283290 /nfs/dbraw/zinc/28/32/90/459283290.db2.gz BOLZOMYJERAAKH-SFTDATJTSA-N 2 2 340.515 3.334 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](Cn1cccn1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000559892101 459283296 /nfs/dbraw/zinc/28/32/96/459283296.db2.gz BOLZOMYJERAAKH-SFTDATJTSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129632 459292131 /nfs/dbraw/zinc/29/21/31/459292131.db2.gz XMOQRSYGBJAOOI-RYRKJORJSA-N 2 2 344.503 3.041 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000568528656 459303274 /nfs/dbraw/zinc/30/32/74/459303274.db2.gz GMQDPMCOQHCICG-LJQANCHMSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000568528656 459303282 /nfs/dbraw/zinc/30/32/82/459303282.db2.gz GMQDPMCOQHCICG-LJQANCHMSA-N 2 2 348.450 3.037 20 0 EGADLP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482644897 459319191 /nfs/dbraw/zinc/31/91/91/459319191.db2.gz ULVZUVRDLWZBBJ-APWZRJJASA-N 2 2 331.504 3.020 20 0 EGADLP CCCCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000482644897 459319197 /nfs/dbraw/zinc/31/91/97/459319197.db2.gz ULVZUVRDLWZBBJ-APWZRJJASA-N 2 2 331.504 3.020 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000595505417 459327783 /nfs/dbraw/zinc/32/77/83/459327783.db2.gz TYWWQGFFMMVGTA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000595505417 459327787 /nfs/dbraw/zinc/32/77/87/459327787.db2.gz TYWWQGFFMMVGTA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000595505417 459327790 /nfs/dbraw/zinc/32/77/90/459327790.db2.gz TYWWQGFFMMVGTA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000595505417 459327793 /nfs/dbraw/zinc/32/77/93/459327793.db2.gz TYWWQGFFMMVGTA-SFHVURJKSA-N 2 2 336.863 3.044 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n2c1 ZINC000496821778 459337149 /nfs/dbraw/zinc/33/71/49/459337149.db2.gz SDSAJNHIMZQTEV-UONOGXRCSA-N 2 2 332.448 3.034 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)c1 ZINC000483521624 459374522 /nfs/dbraw/zinc/37/45/22/459374522.db2.gz CUXXVRWKSAYRNK-UHFFFAOYSA-N 2 2 329.419 3.120 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000540918158 459402284 /nfs/dbraw/zinc/40/22/84/459402284.db2.gz CFUSSYQVPIKIBS-GFCCVEGCSA-N 2 2 343.818 3.113 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000540918158 459402287 /nfs/dbraw/zinc/40/22/87/459402287.db2.gz CFUSSYQVPIKIBS-GFCCVEGCSA-N 2 2 343.818 3.113 20 0 EGADLP C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]C1 ZINC000560943316 459407742 /nfs/dbraw/zinc/40/77/42/459407742.db2.gz SBMNAMWMPKLFON-GXTWGEPZSA-N 2 2 345.468 3.017 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N[C@@H](CC(C)C)C[NH+]3CCCC3)cc2n1C ZINC000569197662 459411757 /nfs/dbraw/zinc/41/17/57/459411757.db2.gz NSUXLGOFLOMTRE-KRWDZBQOSA-N 2 2 342.487 3.122 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469098 459457676 /nfs/dbraw/zinc/45/76/76/459457676.db2.gz NBYWKOLKHBTJHZ-VQTJNVASSA-N 2 2 348.437 3.151 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469098 459457682 /nfs/dbraw/zinc/45/76/82/459457682.db2.gz NBYWKOLKHBTJHZ-VQTJNVASSA-N 2 2 348.437 3.151 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000583079412 459478569 /nfs/dbraw/zinc/47/85/69/459478569.db2.gz RWXJSLVSPHWOSO-HNNXBMFYSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000583079412 459478572 /nfs/dbraw/zinc/47/85/72/459478572.db2.gz RWXJSLVSPHWOSO-HNNXBMFYSA-N 2 2 333.451 3.069 20 0 EGADLP O[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000486176523 459491711 /nfs/dbraw/zinc/49/17/11/459491711.db2.gz VMRKXTDSCFAXOQ-PMACEKPBSA-N 2 2 344.886 3.476 20 0 EGADLP O[C@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000569686341 459493630 /nfs/dbraw/zinc/49/36/30/459493630.db2.gz LXQWJRWSOYZNFL-LJQANCHMSA-N 2 2 327.472 3.005 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]Cc3c[nH]c4nccnc34)ccc2n1C1CC1 ZINC000562206029 459518731 /nfs/dbraw/zinc/51/87/31/459518731.db2.gz VBVZLOGDIKRTBF-UHFFFAOYSA-N 2 2 346.438 3.446 20 0 EGADLP c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000583388684 459530843 /nfs/dbraw/zinc/53/08/43/459530843.db2.gz AOPMCUCFBNSEFD-FPOVZHCZSA-N 2 2 327.516 3.258 20 0 EGADLP c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000583388684 459530851 /nfs/dbraw/zinc/53/08/51/459530851.db2.gz AOPMCUCFBNSEFD-FPOVZHCZSA-N 2 2 327.516 3.258 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000583449129 459541137 /nfs/dbraw/zinc/54/11/37/459541137.db2.gz CFQMYBICIOJWEV-HNAYVOBHSA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)ccn12 ZINC000583449129 459541141 /nfs/dbraw/zinc/54/11/41/459541141.db2.gz CFQMYBICIOJWEV-HNAYVOBHSA-N 2 2 348.450 3.036 20 0 EGADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000498841813 459606122 /nfs/dbraw/zinc/60/61/22/459606122.db2.gz XMVRNFYASAHHFF-SKINQDTJSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000498841813 459606126 /nfs/dbraw/zinc/60/61/26/459606126.db2.gz XMVRNFYASAHHFF-SKINQDTJSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000498816351 459607037 /nfs/dbraw/zinc/60/70/37/459607037.db2.gz DWIFFXRIERQRHE-LJQANCHMSA-N 2 2 349.563 3.269 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000498816351 459607039 /nfs/dbraw/zinc/60/70/39/459607039.db2.gz DWIFFXRIERQRHE-LJQANCHMSA-N 2 2 349.563 3.269 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933731 459613758 /nfs/dbraw/zinc/61/37/58/459613758.db2.gz NHZVDOPBMOFXAY-LPHOPBHVSA-N 2 2 329.488 3.355 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000498933731 459613765 /nfs/dbraw/zinc/61/37/65/459613765.db2.gz NHZVDOPBMOFXAY-LPHOPBHVSA-N 2 2 329.488 3.355 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000543447975 459658213 /nfs/dbraw/zinc/65/82/13/459658213.db2.gz KWLZJAPFGLZPCB-LEWJYISDSA-N 2 2 326.484 3.445 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573357917 459664081 /nfs/dbraw/zinc/66/40/81/459664081.db2.gz DLNGQNIZATYTFJ-PBHICJAKSA-N 2 2 340.870 3.367 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]CC2(O)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573357917 459664087 /nfs/dbraw/zinc/66/40/87/459664087.db2.gz DLNGQNIZATYTFJ-PBHICJAKSA-N 2 2 340.870 3.367 20 0 EGADLP Cc1ncncc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000584242481 459690337 /nfs/dbraw/zinc/69/03/37/459690337.db2.gz VMJZQTJGGNDAKA-HNNXBMFYSA-N 2 2 328.435 3.239 20 0 EGADLP C[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)C1CC([NH3+])C1 ZINC000573729618 459725058 /nfs/dbraw/zinc/72/50/58/459725058.db2.gz YODSRHUXFILXRQ-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP C[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)C1CC([NH3+])C1 ZINC000573729618 459725061 /nfs/dbraw/zinc/72/50/61/459725061.db2.gz YODSRHUXFILXRQ-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP Clc1ccccc1SCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584506344 459755323 /nfs/dbraw/zinc/75/53/23/459755323.db2.gz NWMCHCNFZCAULE-UHFFFAOYSA-N 2 2 336.892 3.368 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977191 459786754 /nfs/dbraw/zinc/78/67/54/459786754.db2.gz CONRRHBFEBOHQY-LKFCYVNXSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000527977191 459786758 /nfs/dbraw/zinc/78/67/58/459786758.db2.gz CONRRHBFEBOHQY-LKFCYVNXSA-N 2 2 333.220 3.157 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CCCC3(F)F)c2cc1C ZINC000566120125 459809443 /nfs/dbraw/zinc/80/94/43/459809443.db2.gz JKVWBOHCPLMWBB-CABCVRRESA-N 2 2 337.414 3.039 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410191 459815760 /nfs/dbraw/zinc/81/57/60/459815760.db2.gz BKYKEOUSYCNVCY-YOEHRIQHSA-N 2 2 347.528 3.390 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410191 459815765 /nfs/dbraw/zinc/81/57/65/459815765.db2.gz BKYKEOUSYCNVCY-YOEHRIQHSA-N 2 2 347.528 3.390 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3oc4ccccc4c3Cl)C2)CC1 ZINC000602463333 459949925 /nfs/dbraw/zinc/94/99/25/459949925.db2.gz FRJZHVOVTPYEEN-HNNXBMFYSA-N 2 2 347.890 3.298 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3oc4ccccc4c3Cl)C2)CC1 ZINC000602463333 459949933 /nfs/dbraw/zinc/94/99/33/459949933.db2.gz FRJZHVOVTPYEEN-HNNXBMFYSA-N 2 2 347.890 3.298 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)o1 ZINC000589196908 460050773 /nfs/dbraw/zinc/05/07/73/460050773.db2.gz GKXWYAQPDHYJLV-UHFFFAOYSA-N 2 2 339.395 3.240 20 0 EGADLP CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000594045865 460072112 /nfs/dbraw/zinc/07/21/12/460072112.db2.gz LREDQYAGDNWMTM-GOSISDBHSA-N 2 2 329.444 3.328 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC1CC[NH+](CC)CC1 ZINC000610159310 460072306 /nfs/dbraw/zinc/07/23/06/460072306.db2.gz GRUYXXOLFVDGBG-UHFFFAOYSA-N 2 2 341.455 3.038 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1F ZINC000589644727 460121825 /nfs/dbraw/zinc/12/18/25/460121825.db2.gz VWZPOFNODSKCAA-UHFFFAOYSA-N 2 2 335.386 3.486 20 0 EGADLP C[C@@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC[NH+](C)CC1 ZINC000603333691 460286293 /nfs/dbraw/zinc/28/62/93/460286293.db2.gz AJZXUYOTTRRKIC-OAHLLOKOSA-N 2 2 339.439 3.334 20 0 EGADLP C[NH+](C)CC1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000615510910 460338896 /nfs/dbraw/zinc/33/88/96/460338896.db2.gz ZJQVEUBAKDADDB-UHFFFAOYSA-N 2 2 345.830 3.161 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000623089402 460408763 /nfs/dbraw/zinc/40/87/63/460408763.db2.gz GFGJEUFZABTALX-UHFFFAOYSA-N 2 2 337.458 3.222 20 0 EGADLP CC(C)[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000628422200 460409023 /nfs/dbraw/zinc/40/90/23/460409023.db2.gz RUUSSMUISDUNRB-FQEVSTJZSA-N 2 2 338.499 3.172 20 0 EGADLP CC(C)[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000628422200 460409032 /nfs/dbraw/zinc/40/90/32/460409032.db2.gz RUUSSMUISDUNRB-FQEVSTJZSA-N 2 2 338.499 3.172 20 0 EGADLP COc1ccc([C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)C2CC2)cn1 ZINC000626180945 460413927 /nfs/dbraw/zinc/41/39/27/460413927.db2.gz NNXUBQSHKINIPC-HXUWFJFHSA-N 2 2 325.456 3.263 20 0 EGADLP COc1ccc([C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)C2CC2)cn1 ZINC000626180945 460413934 /nfs/dbraw/zinc/41/39/34/460413934.db2.gz NNXUBQSHKINIPC-HXUWFJFHSA-N 2 2 325.456 3.263 20 0 EGADLP Cc1ccc2cc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000628452756 460416950 /nfs/dbraw/zinc/41/69/50/460416950.db2.gz VQVUZZHNXITQQU-UHFFFAOYSA-N 2 2 327.472 3.163 20 0 EGADLP [NH3+]C1(c2noc([C@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)n2)CCC1 ZINC000634556251 460418870 /nfs/dbraw/zinc/41/88/70/460418870.db2.gz LZUVYBNBJRFGTD-CQSZACIVSA-N 2 2 332.835 3.398 20 0 EGADLP [NH3+]C1(c2noc([C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)CCC1 ZINC000634556251 460418876 /nfs/dbraw/zinc/41/88/76/460418876.db2.gz LZUVYBNBJRFGTD-CQSZACIVSA-N 2 2 332.835 3.398 20 0 EGADLP COc1ccc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cc1F ZINC000628483528 460436498 /nfs/dbraw/zinc/43/64/98/460436498.db2.gz QJIDKFPWEQJKGO-OAHLLOKOSA-N 2 2 325.387 3.472 20 0 EGADLP COc1ccc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cc1F ZINC000628483528 460436507 /nfs/dbraw/zinc/43/65/07/460436507.db2.gz QJIDKFPWEQJKGO-OAHLLOKOSA-N 2 2 325.387 3.472 20 0 EGADLP O[C@]1(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649548 460458296 /nfs/dbraw/zinc/45/82/96/460458296.db2.gz PJWPZSTWXGNHOQ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[N@H+]2CC[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)C1 ZINC000634649548 460458304 /nfs/dbraw/zinc/45/83/04/460458304.db2.gz PJWPZSTWXGNHOQ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634649548 460458313 /nfs/dbraw/zinc/45/83/13/460458313.db2.gz PJWPZSTWXGNHOQ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP O[C@]1(C[NH+]2CC[C@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649548 460458319 /nfs/dbraw/zinc/45/83/19/460458319.db2.gz PJWPZSTWXGNHOQ-LEWJYISDSA-N 2 2 340.442 3.210 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000634678313 460472101 /nfs/dbraw/zinc/47/21/01/460472101.db2.gz PHANIZZUNUVQJG-MJGOQNOKSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1cccn2cc(CN3CCC[C@H]([NH+]4[C@@H](C)CC[C@@H]4C)C3)[nH+]c12 ZINC000605150454 460544951 /nfs/dbraw/zinc/54/49/51/460544951.db2.gz QQFPMCKJDVJNKM-LNLFQRSKSA-N 2 2 326.488 3.480 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629561283 460808441 /nfs/dbraw/zinc/80/84/41/460808441.db2.gz HNLOYJDFRSQBBX-RYUDHWBXSA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Cl ZINC000629561283 460808448 /nfs/dbraw/zinc/80/84/48/460808448.db2.gz HNLOYJDFRSQBBX-RYUDHWBXSA-N 2 2 336.785 3.308 20 0 EGADLP OC1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCC(c2ccccc2)CC1 ZINC000629561219 460808462 /nfs/dbraw/zinc/80/84/62/460808462.db2.gz GURITJLQKVBNMN-NYLDSWQDSA-N 2 2 328.500 3.149 20 0 EGADLP OC1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCC(c2ccccc2)CC1 ZINC000629561219 460808464 /nfs/dbraw/zinc/80/84/64/460808464.db2.gz GURITJLQKVBNMN-NYLDSWQDSA-N 2 2 328.500 3.149 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566554 460812555 /nfs/dbraw/zinc/81/25/55/460812555.db2.gz ZQTXCAURVAEBEV-HUUCEWRRSA-N 2 2 330.394 3.433 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566554 460812558 /nfs/dbraw/zinc/81/25/58/460812558.db2.gz ZQTXCAURVAEBEV-HUUCEWRRSA-N 2 2 330.394 3.433 20 0 EGADLP CCc1ccc(C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000629584713 460815122 /nfs/dbraw/zinc/81/51/22/460815122.db2.gz WRQYXOQTIBFVBR-UHFFFAOYSA-N 2 2 328.460 3.205 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC[NH+]1CCCC1 ZINC000620879222 460815915 /nfs/dbraw/zinc/81/59/15/460815915.db2.gz DGKMHGMFMOSCDL-CYBMUJFWSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000629651773 460847253 /nfs/dbraw/zinc/84/72/53/460847253.db2.gz YQZUOLMYVAUPTE-UHFFFAOYSA-N 2 2 341.171 3.128 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000629651773 460847258 /nfs/dbraw/zinc/84/72/58/460847258.db2.gz YQZUOLMYVAUPTE-UHFFFAOYSA-N 2 2 341.171 3.128 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000632923296 460887556 /nfs/dbraw/zinc/88/75/56/460887556.db2.gz NKGGRQYRTGHSEJ-HOCLYGCPSA-N 2 2 341.459 3.304 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624338005 460966092 /nfs/dbraw/zinc/96/60/92/460966092.db2.gz RGKIXVLURSYHGQ-YOEHRIQHSA-N 2 2 346.421 3.349 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000624338005 460966098 /nfs/dbraw/zinc/96/60/98/460966098.db2.gz RGKIXVLURSYHGQ-YOEHRIQHSA-N 2 2 346.421 3.349 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(O)c2)CC1 ZINC000608070842 460978159 /nfs/dbraw/zinc/97/81/59/460978159.db2.gz LRHXWILXYYKBQF-UHFFFAOYSA-N 2 2 345.874 3.087 20 0 EGADLP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000621336148 460994695 /nfs/dbraw/zinc/99/46/95/460994695.db2.gz MTCSEUCNPOLMQH-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000621336148 460994699 /nfs/dbraw/zinc/99/46/99/460994699.db2.gz MTCSEUCNPOLMQH-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(Br)cn2)CC1 ZINC000628128452 461010300 /nfs/dbraw/zinc/01/03/00/461010300.db2.gz GBIABRREZSBYLP-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(Br)cn2)CC1 ZINC000628128452 461010304 /nfs/dbraw/zinc/01/03/04/461010304.db2.gz GBIABRREZSBYLP-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183143 461035593 /nfs/dbraw/zinc/03/55/93/461035593.db2.gz RVWVCTPRTXVWNY-DZGCQCFKSA-N 2 2 325.447 3.335 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183143 461035601 /nfs/dbraw/zinc/03/56/01/461035601.db2.gz RVWVCTPRTXVWNY-DZGCQCFKSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183143 461035606 /nfs/dbraw/zinc/03/56/06/461035606.db2.gz RVWVCTPRTXVWNY-DZGCQCFKSA-N 2 2 325.447 3.335 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(F)c2N(C)C)C[C@@H]1C ZINC000628183143 461035610 /nfs/dbraw/zinc/03/56/10/461035610.db2.gz RVWVCTPRTXVWNY-DZGCQCFKSA-N 2 2 325.447 3.335 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)[C@H](C)C1 ZINC000628261411 461065639 /nfs/dbraw/zinc/06/56/39/461065639.db2.gz UZGPJPHPFMRLMF-OAHLLOKOSA-N 2 2 342.487 3.132 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)[C@H](C)C1 ZINC000628261411 461065645 /nfs/dbraw/zinc/06/56/45/461065645.db2.gz UZGPJPHPFMRLMF-OAHLLOKOSA-N 2 2 342.487 3.132 20 0 EGADLP COCc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cs1 ZINC000608492277 461074019 /nfs/dbraw/zinc/07/40/19/461074019.db2.gz CNGZBSSAZYXOAY-UHFFFAOYSA-N 2 2 337.533 3.378 20 0 EGADLP CCC1([NH+]2CCOCC2)CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000624702288 461095415 /nfs/dbraw/zinc/09/54/15/461095415.db2.gz AHFMLGOWWZYQIZ-UHFFFAOYSA-N 2 2 343.393 3.182 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000637887549 461103683 /nfs/dbraw/zinc/10/36/83/461103683.db2.gz WELWQRKRIOFFJT-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000637887549 461103689 /nfs/dbraw/zinc/10/36/89/461103689.db2.gz WELWQRKRIOFFJT-UHFFFAOYSA-N 2 2 326.868 3.273 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1cccs1 ZINC000652351626 461147332 /nfs/dbraw/zinc/14/73/32/461147332.db2.gz LZMIUOLXZZHUNT-FNHZYXHNSA-N 2 2 349.544 3.012 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1cccs1 ZINC000652351626 461147345 /nfs/dbraw/zinc/14/73/45/461147345.db2.gz LZMIUOLXZZHUNT-FNHZYXHNSA-N 2 2 349.544 3.012 20 0 EGADLP CC[N@H+](CCCNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000662356138 461206699 /nfs/dbraw/zinc/20/66/99/461206699.db2.gz MNPRNZCBZMWBNS-UHFFFAOYSA-N 2 2 343.496 3.040 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1cc2c(s1)CC[NH2+]C2)c1ccccc1 ZINC000662356138 461206704 /nfs/dbraw/zinc/20/67/04/461206704.db2.gz MNPRNZCBZMWBNS-UHFFFAOYSA-N 2 2 343.496 3.040 20 0 EGADLP c1nc(N2CCC(C[NH+]3CCCCCC3)CC2)cc(NC2CC2)[nH+]1 ZINC000665692029 461211274 /nfs/dbraw/zinc/21/12/74/461211274.db2.gz VKXIZYBMAKLENT-UHFFFAOYSA-N 2 2 329.492 3.143 20 0 EGADLP c1nc(NC2CC2)cc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000665692029 461211284 /nfs/dbraw/zinc/21/12/84/461211284.db2.gz VKXIZYBMAKLENT-UHFFFAOYSA-N 2 2 329.492 3.143 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000641443811 461249216 /nfs/dbraw/zinc/24/92/16/461249216.db2.gz MBLDLZUWNBOXMJ-UXHICEINSA-N 2 2 337.467 3.065 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000641443811 461249224 /nfs/dbraw/zinc/24/92/24/461249224.db2.gz MBLDLZUWNBOXMJ-UXHICEINSA-N 2 2 337.467 3.065 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000630738551 461278304 /nfs/dbraw/zinc/27/83/04/461278304.db2.gz PQFCFQOOZXGWII-CABCVRRESA-N 2 2 326.444 3.069 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCCC[C@H]1C ZINC000630738551 461278311 /nfs/dbraw/zinc/27/83/11/461278311.db2.gz PQFCFQOOZXGWII-CABCVRRESA-N 2 2 326.444 3.069 20 0 EGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630747887 461284984 /nfs/dbraw/zinc/28/49/84/461284984.db2.gz XPDYJYDPTCJTRD-INIZCTEOSA-N 2 2 340.471 3.319 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630747887 461284988 /nfs/dbraw/zinc/28/49/88/461284988.db2.gz XPDYJYDPTCJTRD-INIZCTEOSA-N 2 2 340.471 3.319 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173382 461285326 /nfs/dbraw/zinc/28/53/26/461285326.db2.gz WRPYGITZRDPIOL-BBRMVZONSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173382 461285335 /nfs/dbraw/zinc/28/53/35/461285335.db2.gz WRPYGITZRDPIOL-BBRMVZONSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C)[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638170669 461286416 /nfs/dbraw/zinc/28/64/16/461286416.db2.gz HRUZKTCZZDMSGR-OLMNPRSZSA-N 2 2 341.455 3.471 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C)[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000638170669 461286420 /nfs/dbraw/zinc/28/64/20/461286420.db2.gz HRUZKTCZZDMSGR-OLMNPRSZSA-N 2 2 341.455 3.471 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173383 461286913 /nfs/dbraw/zinc/28/69/13/461286913.db2.gz WRPYGITZRDPIOL-CJNGLKHVSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000638173383 461286921 /nfs/dbraw/zinc/28/69/21/461286921.db2.gz WRPYGITZRDPIOL-CJNGLKHVSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000638176437 461288567 /nfs/dbraw/zinc/28/85/67/461288567.db2.gz DQEWKSLSJNWPDL-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000638176437 461288573 /nfs/dbraw/zinc/28/85/73/461288573.db2.gz DQEWKSLSJNWPDL-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000638176437 461288584 /nfs/dbraw/zinc/28/85/84/461288584.db2.gz DQEWKSLSJNWPDL-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000638176437 461288591 /nfs/dbraw/zinc/28/85/91/461288591.db2.gz DQEWKSLSJNWPDL-BBRMVZONSA-N 2 2 338.879 3.273 20 0 EGADLP Fc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655688258 461363070 /nfs/dbraw/zinc/36/30/70/461363070.db2.gz STKGKFIXASKTIF-WMLDXEAASA-N 2 2 336.476 3.206 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCS2 ZINC000655701014 461372336 /nfs/dbraw/zinc/37/23/36/461372336.db2.gz OPPNKRSKRLIQFF-RDJZCZTQSA-N 2 2 336.476 3.206 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655718819 461387103 /nfs/dbraw/zinc/38/71/03/461387103.db2.gz NUWPTVGDDRGKFR-ACRUOGEOSA-N 2 2 344.499 3.058 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(N2CCCC2)c1 ZINC000655724469 461394050 /nfs/dbraw/zinc/39/40/50/461394050.db2.gz YLYJANXRPZEKLO-LAUBAEHRSA-N 2 2 343.515 3.191 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398811 /nfs/dbraw/zinc/39/88/11/461398811.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398814 /nfs/dbraw/zinc/39/88/14/461398814.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398819 /nfs/dbraw/zinc/39/88/19/461398819.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP CC[NH+]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382201 461398827 /nfs/dbraw/zinc/39/88/27/461398827.db2.gz TWJDDKWPUBUWSB-LMNJBCLMSA-N 3 2 327.516 3.286 20 0 EGADLP Fc1ccc(C2([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c(F)c1 ZINC000655748626 461416928 /nfs/dbraw/zinc/41/69/28/461416928.db2.gz DWXNBWYYEZYBFD-MRXNPFEDSA-N 2 2 336.426 3.187 20 0 EGADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)sn1 ZINC000638419809 461419359 /nfs/dbraw/zinc/41/93/59/461419359.db2.gz JSYKBBUXHSUMHI-UHFFFAOYSA-N 2 2 332.404 3.075 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000668792573 461438276 /nfs/dbraw/zinc/43/82/76/461438276.db2.gz CIBKSONVSAYMFF-UHFFFAOYSA-N 2 2 346.478 3.374 20 0 EGADLP C[N@H+](Cc1nnc2ccccn21)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663073610 461445747 /nfs/dbraw/zinc/44/57/47/461445747.db2.gz JTIJEUHSYBEULE-UHFFFAOYSA-N 2 2 349.482 3.347 20 0 EGADLP C[N@@H+](Cc1nnc2ccccn21)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000663073610 461445758 /nfs/dbraw/zinc/44/57/58/461445758.db2.gz JTIJEUHSYBEULE-UHFFFAOYSA-N 2 2 349.482 3.347 20 0 EGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc2n(n1)CCC2 ZINC000666094373 461451675 /nfs/dbraw/zinc/45/16/75/461451675.db2.gz ZZXNQRPPNGGBQA-HNAYVOBHSA-N 2 2 335.455 3.197 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3F)CC2)c1 ZINC000642198092 461468284 /nfs/dbraw/zinc/46/82/84/461468284.db2.gz SFLAESODKUBWNH-UHFFFAOYSA-N 2 2 341.474 3.436 20 0 EGADLP CCCCc1ccc([C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061295 461481188 /nfs/dbraw/zinc/48/11/88/461481188.db2.gz JWDNFQZZIYZASR-RTBURBONSA-N 2 2 333.520 3.122 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000631032697 461484646 /nfs/dbraw/zinc/48/46/46/461484646.db2.gz IKJQACVCDALYIC-GOSISDBHSA-N 2 2 340.467 3.248 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000631039117 461491387 /nfs/dbraw/zinc/49/13/87/461491387.db2.gz CKLDXYIKRLTTPF-KRWDZBQOSA-N 2 2 331.504 3.128 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000653081155 461491784 /nfs/dbraw/zinc/49/17/84/461491784.db2.gz DNLYUHIERIHRDO-KRWDZBQOSA-N 2 2 347.846 3.350 20 0 EGADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000666219166 461514091 /nfs/dbraw/zinc/51/40/91/461514091.db2.gz IAIPZXWZXKSYLT-IAGOWNOFSA-N 2 2 326.444 3.004 20 0 EGADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992469 461534990 /nfs/dbraw/zinc/53/49/90/461534990.db2.gz ITZBAVWYUICKJR-DOTOQJQBSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992469 461534995 /nfs/dbraw/zinc/53/49/95/461534995.db2.gz ITZBAVWYUICKJR-DOTOQJQBSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992469 461535003 /nfs/dbraw/zinc/53/50/03/461535003.db2.gz ITZBAVWYUICKJR-DOTOQJQBSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)on1 ZINC000659992469 461535010 /nfs/dbraw/zinc/53/50/10/461535010.db2.gz ITZBAVWYUICKJR-DOTOQJQBSA-N 2 2 329.444 3.168 20 0 EGADLP FC1(F)CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000647206136 461563619 /nfs/dbraw/zinc/56/36/19/461563619.db2.gz IYBLMOODTCEFSS-GOSISDBHSA-N 2 2 338.442 3.445 20 0 EGADLP FC1(F)CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000647206136 461563627 /nfs/dbraw/zinc/56/36/27/461563627.db2.gz IYBLMOODTCEFSS-GOSISDBHSA-N 2 2 338.442 3.445 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000638788473 461577840 /nfs/dbraw/zinc/57/78/40/461577840.db2.gz KRWDWPOFKLOBCR-UZLBHIALSA-N 2 2 331.504 3.402 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000666364787 461594180 /nfs/dbraw/zinc/59/41/80/461594180.db2.gz GAVVBMZDCYBFAF-UHFFFAOYSA-N 2 2 339.418 3.142 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCc3ccc(SC)cc32)CC1 ZINC000647291207 461617904 /nfs/dbraw/zinc/61/79/04/461617904.db2.gz JMPDEEHWDNBZTB-LJQANCHMSA-N 2 2 334.529 3.486 20 0 EGADLP CCn1cc[nH+]c1CN[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000631193108 461632390 /nfs/dbraw/zinc/63/23/90/461632390.db2.gz MHMMLYKQJYCRSP-HNNXBMFYSA-N 2 2 340.393 3.314 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3nc4ccccc4n3C)cn21 ZINC000647364072 461658739 /nfs/dbraw/zinc/65/87/39/461658739.db2.gz RDIXPAVEHBEKNK-OAHLLOKOSA-N 2 2 333.439 3.423 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000656250653 461673517 /nfs/dbraw/zinc/67/35/17/461673517.db2.gz WWMKUSNCERNAGO-HNNXBMFYSA-N 2 2 339.418 3.423 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000656250653 461673521 /nfs/dbraw/zinc/67/35/21/461673521.db2.gz WWMKUSNCERNAGO-HNNXBMFYSA-N 2 2 339.418 3.423 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000663511537 461681288 /nfs/dbraw/zinc/68/12/88/461681288.db2.gz WXFMTHWDHRIFEJ-AWEZNQCLSA-N 2 2 326.469 3.298 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656258507 461681575 /nfs/dbraw/zinc/68/15/75/461681575.db2.gz UCXLXBOERIDICM-KRWDZBQOSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656258507 461681581 /nfs/dbraw/zinc/68/15/81/461681581.db2.gz UCXLXBOERIDICM-KRWDZBQOSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000656261953 461685757 /nfs/dbraw/zinc/68/57/57/461685757.db2.gz NYXJRIKYRONCLI-KRWDZBQOSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000656261953 461685768 /nfs/dbraw/zinc/68/57/68/461685768.db2.gz NYXJRIKYRONCLI-KRWDZBQOSA-N 2 2 335.455 3.212 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1)CC2 ZINC000639042838 461687284 /nfs/dbraw/zinc/68/72/84/461687284.db2.gz LAFKQOKIJBAHGR-WBVHZDCISA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@@H]1Cn1cc[nH+]c1)CC2 ZINC000639042838 461687293 /nfs/dbraw/zinc/68/72/93/461687293.db2.gz LAFKQOKIJBAHGR-WBVHZDCISA-N 2 2 327.428 3.052 20 0 EGADLP CC[NH+]1CCN(c2cccc(N[C@@H](c3[nH+]ccn3C)C3CC3)c2)CC1 ZINC000639056970 461697797 /nfs/dbraw/zinc/69/77/97/461697797.db2.gz KBQBZGCVBOBLHB-LJQANCHMSA-N 2 2 339.487 3.125 20 0 EGADLP Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000656276615 461699763 /nfs/dbraw/zinc/69/97/63/461699763.db2.gz YLGXZGJHBIYXJC-OAHLLOKOSA-N 2 2 344.459 3.046 20 0 EGADLP Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000656276615 461699775 /nfs/dbraw/zinc/69/97/75/461699775.db2.gz YLGXZGJHBIYXJC-OAHLLOKOSA-N 2 2 344.459 3.046 20 0 EGADLP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2n1 ZINC000656281173 461704271 /nfs/dbraw/zinc/70/42/71/461704271.db2.gz PTVBQNMMFAEGMX-HXUWFJFHSA-N 2 2 339.483 3.230 20 0 EGADLP Cc1ccc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2n1 ZINC000656281173 461704276 /nfs/dbraw/zinc/70/42/76/461704276.db2.gz PTVBQNMMFAEGMX-HXUWFJFHSA-N 2 2 339.483 3.230 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CCO1 ZINC000639078644 461711899 /nfs/dbraw/zinc/71/18/99/461711899.db2.gz GJZNWMPWLJGBHM-SPUZQDLCSA-N 2 2 347.503 3.356 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000637800520 461723421 /nfs/dbraw/zinc/72/34/21/461723421.db2.gz FELJOERLQOMHQV-SFHVURJKSA-N 2 2 343.858 3.402 20 0 EGADLP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000637800520 461723429 /nfs/dbraw/zinc/72/34/29/461723429.db2.gz FELJOERLQOMHQV-SFHVURJKSA-N 2 2 343.858 3.402 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000639103262 461728862 /nfs/dbraw/zinc/72/88/62/461728862.db2.gz JIEIXYCDSMAPFW-AWEZNQCLSA-N 2 2 326.868 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000639103262 461728868 /nfs/dbraw/zinc/72/88/68/461728868.db2.gz JIEIXYCDSMAPFW-AWEZNQCLSA-N 2 2 326.868 3.273 20 0 EGADLP Cc1cn2ccc(C(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)cc2[nH+]1 ZINC000637830910 461731933 /nfs/dbraw/zinc/73/19/33/461731933.db2.gz JCVIKJZQMGGODY-SFHVURJKSA-N 2 2 336.439 3.196 20 0 EGADLP Cc1cccc2[nH+]cc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)n21 ZINC000647493756 461734618 /nfs/dbraw/zinc/73/46/18/461734618.db2.gz FULHGLGBGAVBGB-IBGZPJMESA-N 2 2 334.467 3.397 20 0 EGADLP C[NH+](C)C1(CNc2[nH+]ccc3c(N)cccc32)Cc2ccccc2C1 ZINC000663657837 461739451 /nfs/dbraw/zinc/73/94/51/461739451.db2.gz LWMQRECFABFPQM-UHFFFAOYSA-N 2 2 332.451 3.328 20 0 EGADLP Brc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643497076 461747364 /nfs/dbraw/zinc/74/73/64/461747364.db2.gz UDNXWNMXQYNPCE-XHSDSOJGSA-N 2 2 339.277 3.011 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000643502709 461749364 /nfs/dbraw/zinc/74/93/64/461749364.db2.gz OPIMZHDWYDVNOL-JSXRDJHFSA-N 3 2 327.516 3.161 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000643502709 461749369 /nfs/dbraw/zinc/74/93/69/461749369.db2.gz OPIMZHDWYDVNOL-JSXRDJHFSA-N 3 2 327.516 3.161 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643502710 461749404 /nfs/dbraw/zinc/74/94/04/461749404.db2.gz OPIMZHDWYDVNOL-TUFLPTIASA-N 3 2 327.516 3.161 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643502710 461749407 /nfs/dbraw/zinc/74/94/07/461749407.db2.gz OPIMZHDWYDVNOL-TUFLPTIASA-N 3 2 327.516 3.161 20 0 EGADLP C[N@H+](Cc1ccsc1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637874413 461749467 /nfs/dbraw/zinc/74/94/67/461749467.db2.gz XXFDNXDRMZVZJU-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP C[N@@H+](Cc1ccsc1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637874413 461749475 /nfs/dbraw/zinc/74/94/75/461749475.db2.gz XXFDNXDRMZVZJU-UHFFFAOYSA-N 2 2 346.496 3.091 20 0 EGADLP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000643538553 461758422 /nfs/dbraw/zinc/75/84/22/461758422.db2.gz MYLPHIGRNYWWSJ-MELADBBJSA-N 2 2 327.241 3.034 20 0 EGADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643538572 461759515 /nfs/dbraw/zinc/75/95/15/461759515.db2.gz NRJTWZPTRJGZNW-HUBLWGQQSA-N 2 2 345.231 3.329 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]CCCc3cnn(C)c3)ccc2n1C1CC1 ZINC000639141740 461759548 /nfs/dbraw/zinc/75/95/48/461759548.db2.gz KBYNRGAGINFYKK-UHFFFAOYSA-N 2 2 337.471 3.390 20 0 EGADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000666770290 461795602 /nfs/dbraw/zinc/79/56/02/461795602.db2.gz RKJRPMBILXAJHX-CQSZACIVSA-N 2 2 338.377 3.123 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474384 461800793 /nfs/dbraw/zinc/80/07/93/461800793.db2.gz IEMVJSLMSRPAFD-WOJBJXKFSA-N 2 2 328.500 3.293 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474384 461800798 /nfs/dbraw/zinc/80/07/98/461800798.db2.gz IEMVJSLMSRPAFD-WOJBJXKFSA-N 2 2 328.500 3.293 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@@H+]2C2CC2)cc1 ZINC000639221098 461810578 /nfs/dbraw/zinc/81/05/78/461810578.db2.gz LGIAPPCROZJBEL-AEFFLSMTSA-N 2 2 337.471 3.140 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@H+]2C2CC2)cc1 ZINC000639221098 461810584 /nfs/dbraw/zinc/81/05/84/461810584.db2.gz LGIAPPCROZJBEL-AEFFLSMTSA-N 2 2 337.471 3.140 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647847128 461857377 /nfs/dbraw/zinc/85/73/77/461857377.db2.gz AGSQCQXLOSDEFU-IBGZPJMESA-N 2 2 341.455 3.046 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647847128 461857381 /nfs/dbraw/zinc/85/73/81/461857381.db2.gz AGSQCQXLOSDEFU-IBGZPJMESA-N 2 2 341.455 3.046 20 0 EGADLP Fc1ccc(Br)cc1C[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647874912 461866820 /nfs/dbraw/zinc/86/68/20/461866820.db2.gz IZEKUDSLNWNBFE-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(Br)cc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647874912 461866826 /nfs/dbraw/zinc/86/68/26/461866826.db2.gz IZEKUDSLNWNBFE-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP COc1cc2cc[nH+]c(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c2cc1OC ZINC000663904695 461863099 /nfs/dbraw/zinc/86/30/99/461863099.db2.gz DSDJFRAPVKCDDF-ZBFHGGJFSA-N 2 2 341.455 3.315 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358730 461879563 /nfs/dbraw/zinc/87/95/63/461879563.db2.gz AOQTVTGJWXGKLJ-MAUKXSAKSA-N 2 2 325.456 3.410 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000639358730 461879570 /nfs/dbraw/zinc/87/95/70/461879570.db2.gz AOQTVTGJWXGKLJ-MAUKXSAKSA-N 2 2 325.456 3.410 20 0 EGADLP COc1ccc(-c2ccccc2C)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948154 461883952 /nfs/dbraw/zinc/88/39/52/461883952.db2.gz SWWPKNYYXQNZNC-ROUUACIJSA-N 2 2 328.431 3.460 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cn1 ZINC000639375278 461894281 /nfs/dbraw/zinc/89/42/81/461894281.db2.gz SQETYOOJOUKIEB-UHFFFAOYSA-N 2 2 330.520 3.377 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000639374685 461894559 /nfs/dbraw/zinc/89/45/59/461894559.db2.gz IYJHSMYUDMZDKI-UHFFFAOYSA-N 3 2 345.531 3.077 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1Br ZINC000650710918 461905818 /nfs/dbraw/zinc/90/58/18/461905818.db2.gz CXEHSGKHLYGSJC-GXFFZTMASA-N 2 2 347.322 3.469 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1Br ZINC000650710918 461905821 /nfs/dbraw/zinc/90/58/21/461905821.db2.gz CXEHSGKHLYGSJC-GXFFZTMASA-N 2 2 347.322 3.469 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673873 461918296 /nfs/dbraw/zinc/91/82/96/461918296.db2.gz JGJNKWKGVOLWIC-QGZVFWFLSA-N 2 2 343.515 3.078 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674040 461918779 /nfs/dbraw/zinc/91/87/79/461918779.db2.gz KYTUWFCBBDEWSU-SFHVURJKSA-N 2 2 343.515 3.032 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650741110 461928316 /nfs/dbraw/zinc/92/83/16/461928316.db2.gz YEUBNNOGKRTDFD-DOTOQJQBSA-N 2 2 344.430 3.475 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000660699532 461929732 /nfs/dbraw/zinc/92/97/32/461929732.db2.gz XWHBDSBXBKBLNJ-ONEGZZNKSA-N 2 2 336.907 3.426 20 0 EGADLP [NH3+][C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052283 461929913 /nfs/dbraw/zinc/92/99/13/461929913.db2.gz FLJGDKGTXHZZIH-ZYSHUDEJSA-N 2 2 326.415 3.119 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000667052283 461929919 /nfs/dbraw/zinc/92/99/19/461929919.db2.gz FLJGDKGTXHZZIH-ZYSHUDEJSA-N 2 2 326.415 3.119 20 0 EGADLP CC(C)Cn1nccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000648036030 461953063 /nfs/dbraw/zinc/95/30/63/461953063.db2.gz ZGHQUQSVOZUDQI-UHFFFAOYSA-N 2 2 329.492 3.428 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000644423041 461953137 /nfs/dbraw/zinc/95/31/37/461953137.db2.gz MMWFYOZMPFZAFN-BSWAZPDLSA-N 2 2 342.405 3.085 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000644423041 461953140 /nfs/dbraw/zinc/95/31/40/461953140.db2.gz MMWFYOZMPFZAFN-BSWAZPDLSA-N 2 2 342.405 3.085 20 0 EGADLP Cc1noc([C@@H](C)[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660853548 461997066 /nfs/dbraw/zinc/99/70/66/461997066.db2.gz AYHMGIRSCIMWFI-GFCCVEGCSA-N 2 2 325.416 3.270 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657295776 462025466 /nfs/dbraw/zinc/02/54/66/462025466.db2.gz YJOFWXDSSSCUNJ-BETUJISGSA-N 2 2 346.393 3.016 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657295776 462025472 /nfs/dbraw/zinc/02/54/72/462025472.db2.gz YJOFWXDSSSCUNJ-BETUJISGSA-N 2 2 346.393 3.016 20 0 EGADLP Fc1cccc(Oc2ncccc2C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657307091 462033268 /nfs/dbraw/zinc/03/32/68/462033268.db2.gz AALYHIPTXUCMID-UHFFFAOYSA-N 2 2 338.386 3.446 20 0 EGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657323217 462045236 /nfs/dbraw/zinc/04/52/36/462045236.db2.gz XFCIYOGAYZWKTO-AWEZNQCLSA-N 2 2 326.444 3.104 20 0 EGADLP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657327126 462049773 /nfs/dbraw/zinc/04/97/73/462049773.db2.gz HUVKGXZVCJMOKC-GFCCVEGCSA-N 2 2 339.361 3.405 20 0 EGADLP C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682900 462055394 /nfs/dbraw/zinc/05/53/94/462055394.db2.gz CXYFTSRBVGMNNK-INIZCTEOSA-N 2 2 349.438 3.405 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138363 462102979 /nfs/dbraw/zinc/10/29/79/462102979.db2.gz FUKCSFPGGVPBEJ-WBVHZDCISA-N 2 2 347.507 3.233 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138363 462102988 /nfs/dbraw/zinc/10/29/88/462102988.db2.gz FUKCSFPGGVPBEJ-WBVHZDCISA-N 2 2 347.507 3.233 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)CCOc2ccc(Br)cc2)n1C ZINC000667479063 462103951 /nfs/dbraw/zinc/10/39/51/462103951.db2.gz XRXRMMAXCVDLLR-UHFFFAOYSA-N 2 2 338.249 3.002 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)CCOc2ccc(Br)cc2)n1C ZINC000667479063 462103956 /nfs/dbraw/zinc/10/39/56/462103956.db2.gz XRXRMMAXCVDLLR-UHFFFAOYSA-N 2 2 338.249 3.002 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](Cc1c[nH+]c(C)n1C)CC2 ZINC000667488094 462106876 /nfs/dbraw/zinc/10/68/76/462106876.db2.gz RYVLUAKXZNHWCG-UHFFFAOYSA-N 2 2 329.444 3.084 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](Cc1c[nH+]c(C)n1C)CC2 ZINC000667488094 462106877 /nfs/dbraw/zinc/10/68/77/462106877.db2.gz RYVLUAKXZNHWCG-UHFFFAOYSA-N 2 2 329.444 3.084 20 0 EGADLP c1nnn(-c2ccccc2)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000644890474 462120140 /nfs/dbraw/zinc/12/01/40/462120140.db2.gz UIKNTKWMCJXTNX-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP Fc1ccc(Oc2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cn2)cc1 ZINC000657439799 462125953 /nfs/dbraw/zinc/12/59/53/462125953.db2.gz HLLAGMHWPTWBHC-INIZCTEOSA-N 2 2 338.386 3.314 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)n1C ZINC000667530678 462126830 /nfs/dbraw/zinc/12/68/30/462126830.db2.gz HBCSJOMLTRYSHK-HOTGVXAUSA-N 2 2 340.254 3.125 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)n1C ZINC000667530678 462126836 /nfs/dbraw/zinc/12/68/36/462126836.db2.gz HBCSJOMLTRYSHK-HOTGVXAUSA-N 2 2 340.254 3.125 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000639902317 462160576 /nfs/dbraw/zinc/16/05/76/462160576.db2.gz IDGCHUUFJNGPLX-NRFANRHFSA-N 2 2 335.451 3.198 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000639902317 462160583 /nfs/dbraw/zinc/16/05/83/462160583.db2.gz IDGCHUUFJNGPLX-NRFANRHFSA-N 2 2 335.451 3.198 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000639919617 462173748 /nfs/dbraw/zinc/17/37/48/462173748.db2.gz GMDAHHVHLJIZGH-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(Br)cc1F ZINC000639919617 462173751 /nfs/dbraw/zinc/17/37/51/462173751.db2.gz GMDAHHVHLJIZGH-UHFFFAOYSA-N 2 2 326.213 3.225 20 0 EGADLP c1cn2c(n1)[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629215 462207190 /nfs/dbraw/zinc/20/71/90/462207190.db2.gz VARITUOJCOFWKU-LWYYNNOASA-N 2 2 336.483 3.218 20 0 EGADLP c1cn2c(n1)[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000648629215 462207196 /nfs/dbraw/zinc/20/71/96/462207196.db2.gz VARITUOJCOFWKU-LWYYNNOASA-N 2 2 336.483 3.218 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000657647262 462215394 /nfs/dbraw/zinc/21/53/94/462215394.db2.gz BHPPSCZESRLUNO-QRVBRYPASA-N 2 2 327.472 3.497 20 0 EGADLP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678209 462226317 /nfs/dbraw/zinc/22/63/17/462226317.db2.gz NNRZEZSYJQIMKQ-OAHLLOKOSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678209 462226322 /nfs/dbraw/zinc/22/63/22/462226322.db2.gz NNRZEZSYJQIMKQ-OAHLLOKOSA-N 2 2 333.442 3.010 20 0 EGADLP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000657750755 462252040 /nfs/dbraw/zinc/25/20/40/462252040.db2.gz CGEONRJPSWVOLW-IRXDYDNUSA-N 2 2 334.891 3.040 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657794979 462268748 /nfs/dbraw/zinc/26/87/48/462268748.db2.gz AHXNJKOMAMRBDD-PBHICJAKSA-N 2 2 344.421 3.157 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880327 462306239 /nfs/dbraw/zinc/30/62/39/462306239.db2.gz WJQFYSBMCDCTOD-LEWJYISDSA-N 2 2 329.532 3.098 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc2c(c1)CCCC2 ZINC000657880327 462306244 /nfs/dbraw/zinc/30/62/44/462306244.db2.gz WJQFYSBMCDCTOD-LEWJYISDSA-N 2 2 329.532 3.098 20 0 EGADLP C[N@H+](Cc1[nH]nc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000648872413 462313762 /nfs/dbraw/zinc/31/37/62/462313762.db2.gz FCWGXZAKYPNZMW-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP C[N@@H+](Cc1[nH]nc2ccccc21)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000648872413 462313767 /nfs/dbraw/zinc/31/37/67/462313767.db2.gz FCWGXZAKYPNZMW-UHFFFAOYSA-N 2 2 340.393 3.412 20 0 EGADLP Fc1ccccc1COC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667951560 462341920 /nfs/dbraw/zinc/34/19/20/462341920.db2.gz BBLSMTZUOOYJHJ-UHFFFAOYSA-N 2 2 329.419 3.150 20 0 EGADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000665237742 462363603 /nfs/dbraw/zinc/36/36/03/462363603.db2.gz IVADGBDSEGTSLQ-AEFFLSMTSA-N 2 2 326.440 3.287 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290027 462387083 /nfs/dbraw/zinc/38/70/83/462387083.db2.gz GBRMBLVVAJEPHF-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290027 462387086 /nfs/dbraw/zinc/38/70/86/462387086.db2.gz GBRMBLVVAJEPHF-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290027 462387090 /nfs/dbraw/zinc/38/70/90/462387090.db2.gz GBRMBLVVAJEPHF-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@@H](C4CCC4)C3)C2)cc1 ZINC000665290027 462387092 /nfs/dbraw/zinc/38/70/92/462387092.db2.gz GBRMBLVVAJEPHF-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000665298419 462390475 /nfs/dbraw/zinc/39/04/75/462390475.db2.gz VTISJNIGDGUVDF-WBMJQRKESA-N 2 2 341.293 3.114 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299672 462391632 /nfs/dbraw/zinc/39/16/32/462391632.db2.gz RBEKVVXIJUTFAH-NRSPTQNISA-N 3 2 327.516 3.191 20 0 EGADLP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC[NH2+]2)cc1 ZINC000665299672 462391636 /nfs/dbraw/zinc/39/16/36/462391636.db2.gz RBEKVVXIJUTFAH-NRSPTQNISA-N 3 2 327.516 3.191 20 0 EGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000640532237 462431325 /nfs/dbraw/zinc/43/13/25/462431325.db2.gz BYDDCYHLHGTKHH-UHFFFAOYSA-N 2 2 334.489 3.095 20 0 EGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000640532237 462431331 /nfs/dbraw/zinc/43/13/31/462431331.db2.gz BYDDCYHLHGTKHH-UHFFFAOYSA-N 2 2 334.489 3.095 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160191 462456029 /nfs/dbraw/zinc/45/60/29/462456029.db2.gz PUHWOYMDVCVTOG-RRQGHBQHSA-N 2 2 348.487 3.236 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160191 462456032 /nfs/dbraw/zinc/45/60/32/462456032.db2.gz PUHWOYMDVCVTOG-RRQGHBQHSA-N 2 2 348.487 3.236 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000649252813 462456479 /nfs/dbraw/zinc/45/64/79/462456479.db2.gz HCRPCEFDZLFDQL-IRFCIJBXSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000649252813 462456484 /nfs/dbraw/zinc/45/64/84/462456484.db2.gz HCRPCEFDZLFDQL-IRFCIJBXSA-N 2 2 327.516 3.318 20 0 EGADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000649267894 462462383 /nfs/dbraw/zinc/46/23/83/462462383.db2.gz GMRVRDJPRUUPEQ-ROUUACIJSA-N 2 2 349.837 3.063 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)on1 ZINC000658354750 462487751 /nfs/dbraw/zinc/48/77/51/462487751.db2.gz CKBZJZAYKHSRLG-UHFFFAOYSA-N 2 2 329.444 3.313 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662055350 462514601 /nfs/dbraw/zinc/51/46/01/462514601.db2.gz MIBQDNTZORNDAH-IUODEOHRSA-N 2 2 331.287 3.491 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662055350 462514604 /nfs/dbraw/zinc/51/46/04/462514604.db2.gz MIBQDNTZORNDAH-IUODEOHRSA-N 2 2 331.287 3.491 20 0 EGADLP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(SC)cc1OC ZINC000131685045 533784416 /nfs/dbraw/zinc/78/44/16/533784416.db2.gz WZJGGSKUXOKGGG-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(SC)cc1OC ZINC000131685045 533784425 /nfs/dbraw/zinc/78/44/25/533784425.db2.gz WZJGGSKUXOKGGG-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(SC)cc1OC ZINC000131685045 533784431 /nfs/dbraw/zinc/78/44/31/533784431.db2.gz WZJGGSKUXOKGGG-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(SC)cc1OC ZINC000131685045 533784439 /nfs/dbraw/zinc/78/44/39/533784439.db2.gz WZJGGSKUXOKGGG-CQSZACIVSA-N 2 2 338.517 3.199 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000191295184 533956266 /nfs/dbraw/zinc/95/62/66/533956266.db2.gz QARMRAHMPNWBON-SJLPKXTDSA-N 2 2 341.503 3.176 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)CC[N@H+]1Cc1ccccc1 ZINC000191295184 533956278 /nfs/dbraw/zinc/95/62/78/533956278.db2.gz QARMRAHMPNWBON-SJLPKXTDSA-N 2 2 341.503 3.176 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000425950887 518186043 /nfs/dbraw/zinc/18/60/43/518186043.db2.gz LIQQNSOBPPNDRA-STQMWFEESA-N 2 2 335.883 3.077 20 0 EGADLP CC1(C)OCc2cc(C[NH2+]CCCNc3cccc[nH+]3)ccc2O1 ZINC000187498342 527814443 /nfs/dbraw/zinc/81/44/43/527814443.db2.gz YWIYGQAMIKHUGY-UHFFFAOYSA-N 2 2 327.428 3.319 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838032 527817496 /nfs/dbraw/zinc/81/74/96/527817496.db2.gz LXDOGVQGZTVPLB-AWEZNQCLSA-N 2 2 341.293 3.231 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838032 527817505 /nfs/dbraw/zinc/81/75/05/527817505.db2.gz LXDOGVQGZTVPLB-AWEZNQCLSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838032 527817511 /nfs/dbraw/zinc/81/75/11/527817511.db2.gz LXDOGVQGZTVPLB-AWEZNQCLSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(Br)c2)C1 ZINC000177838032 527817517 /nfs/dbraw/zinc/81/75/17/527817517.db2.gz LXDOGVQGZTVPLB-AWEZNQCLSA-N 2 2 341.293 3.231 20 0 EGADLP CC1(C)[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000174538870 527827730 /nfs/dbraw/zinc/82/77/30/527827730.db2.gz XXFMERYDRRBIFP-JLSDUUJJSA-N 2 2 329.419 3.305 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000186902909 528113024 /nfs/dbraw/zinc/11/30/24/528113024.db2.gz HYBKQFFWTLQWGX-LLVKDONJSA-N 2 2 332.261 3.366 20 0 EGADLP CCCc1noc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000174391931 528787932 /nfs/dbraw/zinc/78/79/32/528787932.db2.gz FAIANZPKDGZLNR-UHFFFAOYSA-N 2 2 343.475 3.156 20 0 EGADLP CCCc1noc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000174391931 528787937 /nfs/dbraw/zinc/78/79/37/528787937.db2.gz FAIANZPKDGZLNR-UHFFFAOYSA-N 2 2 343.475 3.156 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000191480055 528865535 /nfs/dbraw/zinc/86/55/35/528865535.db2.gz FSPSPFBNXGQYFQ-UHFFFAOYSA-N 2 2 345.472 3.469 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000191480055 528865541 /nfs/dbraw/zinc/86/55/41/528865541.db2.gz FSPSPFBNXGQYFQ-UHFFFAOYSA-N 2 2 345.472 3.469 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000191506296 528866588 /nfs/dbraw/zinc/86/65/88/528866588.db2.gz JZCRDENZGVEMAM-IBGZPJMESA-N 2 2 343.471 3.380 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000191506296 528866592 /nfs/dbraw/zinc/86/65/92/528866592.db2.gz JZCRDENZGVEMAM-IBGZPJMESA-N 2 2 343.471 3.380 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114861 535264088 /nfs/dbraw/zinc/26/40/88/535264088.db2.gz BIZXWVGXRCZDRW-AWEZNQCLSA-N 2 2 333.501 3.469 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114861 535264092 /nfs/dbraw/zinc/26/40/92/535264092.db2.gz BIZXWVGXRCZDRW-AWEZNQCLSA-N 2 2 333.501 3.469 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114861 535264095 /nfs/dbraw/zinc/26/40/95/535264095.db2.gz BIZXWVGXRCZDRW-AWEZNQCLSA-N 2 2 333.501 3.469 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114861 535264098 /nfs/dbraw/zinc/26/40/98/535264098.db2.gz BIZXWVGXRCZDRW-AWEZNQCLSA-N 2 2 333.501 3.469 20 0 EGADLP COCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000268771903 536780262 /nfs/dbraw/zinc/78/02/62/536780262.db2.gz FGMJFYHPWSLTIG-OXJNMPFZSA-N 2 2 328.456 3.426 20 0 EGADLP COCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000268771903 536780268 /nfs/dbraw/zinc/78/02/68/536780268.db2.gz FGMJFYHPWSLTIG-OXJNMPFZSA-N 2 2 328.456 3.426 20 0 EGADLP C[NH+](C)CCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000179831412 538550063 /nfs/dbraw/zinc/55/00/63/538550063.db2.gz UCGDJSLKIRPEDA-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000088537005 546640549 /nfs/dbraw/zinc/64/05/49/546640549.db2.gz WRXOZERZMZCWDL-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000088537005 546640553 /nfs/dbraw/zinc/64/05/53/546640553.db2.gz WRXOZERZMZCWDL-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000088537005 546640559 /nfs/dbraw/zinc/64/05/59/546640559.db2.gz WRXOZERZMZCWDL-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000088537005 546640566 /nfs/dbraw/zinc/64/05/66/546640566.db2.gz WRXOZERZMZCWDL-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]CCc1cn3cccc(C)c3[nH+]1)CC2 ZINC000121488496 546725439 /nfs/dbraw/zinc/72/54/39/546725439.db2.gz KBNZPMUCNKUYES-GOSISDBHSA-N 2 2 335.451 3.341 20 0 EGADLP CC[C@@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(OC(F)F)cc1 ZINC000163726752 546974495 /nfs/dbraw/zinc/97/44/95/546974495.db2.gz XUMPNIXPAPTNDS-QGZVFWFLSA-N 2 2 342.430 3.440 20 0 EGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3ncc[nH]3)[nH+]c12 ZINC000286356646 547393832 /nfs/dbraw/zinc/39/38/32/547393832.db2.gz ZMFQOXVKEHCGRW-LLVKDONJSA-N 2 2 348.248 3.022 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287956554 547401459 /nfs/dbraw/zinc/40/14/59/547401459.db2.gz YKFNQUQLRWCKHY-LFUKPOHLSA-N 2 2 339.483 3.336 20 0 EGADLP COc1ccncc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000287956554 547401467 /nfs/dbraw/zinc/40/14/67/547401467.db2.gz YKFNQUQLRWCKHY-LFUKPOHLSA-N 2 2 339.483 3.336 20 0 EGADLP CCc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc(C)[nH+]1 ZINC000310900690 547461513 /nfs/dbraw/zinc/46/15/13/547461513.db2.gz PBVMQUJXQKOSHN-MOPGFXCFSA-N 2 2 336.483 3.306 20 0 EGADLP CCc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc(C)[nH+]1 ZINC000310900690 547461516 /nfs/dbraw/zinc/46/15/16/547461516.db2.gz PBVMQUJXQKOSHN-MOPGFXCFSA-N 2 2 336.483 3.306 20 0 EGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331289 547705001 /nfs/dbraw/zinc/70/50/01/547705001.db2.gz CPWQABJPIJVJBW-LBDPXKHJSA-N 2 2 336.442 3.444 20 0 EGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331289 547705004 /nfs/dbraw/zinc/70/50/04/547705004.db2.gz CPWQABJPIJVJBW-LBDPXKHJSA-N 2 2 336.442 3.444 20 0 EGADLP CC[C@@H](Nc1cc(C)[nH+]c(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359732266 547754271 /nfs/dbraw/zinc/75/42/71/547754271.db2.gz SJLDDPCHABVBEQ-RTBURBONSA-N 2 2 340.471 3.185 20 0 EGADLP CC[C@@H](Nc1cc(C)[nH+]c(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359732266 547754274 /nfs/dbraw/zinc/75/42/74/547754274.db2.gz SJLDDPCHABVBEQ-RTBURBONSA-N 2 2 340.471 3.185 20 0 EGADLP Cc1cccc(C[NH+](C)[C@H](C)CC[N@H+](C)Cc2cccc(C)n2)n1 ZINC000431608829 547894997 /nfs/dbraw/zinc/89/49/97/547894997.db2.gz YQUZEJGWOBOIAC-GOSISDBHSA-N 2 2 326.488 3.436 20 0 EGADLP Cc1cccc(C[NH+](C)[C@H](C)CC[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000431608829 547895000 /nfs/dbraw/zinc/89/50/00/547895000.db2.gz YQUZEJGWOBOIAC-GOSISDBHSA-N 2 2 326.488 3.436 20 0 EGADLP Cc1cccc(C[NH+](C)CC[C@@H](C)[N@H+](C)Cc2cccc(C)n2)n1 ZINC000431608829 547895003 /nfs/dbraw/zinc/89/50/03/547895003.db2.gz YQUZEJGWOBOIAC-GOSISDBHSA-N 2 2 326.488 3.436 20 0 EGADLP Cc1cccc(C[NH+](C)CC[C@@H](C)[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000431608829 547895006 /nfs/dbraw/zinc/89/50/06/547895006.db2.gz YQUZEJGWOBOIAC-GOSISDBHSA-N 2 2 326.488 3.436 20 0 EGADLP Fc1ccccc1SCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986064 548244464 /nfs/dbraw/zinc/24/44/64/548244464.db2.gz OPNCKRXTEXPAOD-INIZCTEOSA-N 2 2 338.492 3.105 20 0 EGADLP Fc1ccccc1SCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986064 548244467 /nfs/dbraw/zinc/24/44/67/548244467.db2.gz OPNCKRXTEXPAOD-INIZCTEOSA-N 2 2 338.492 3.105 20 0 EGADLP COCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240087 548266964 /nfs/dbraw/zinc/26/69/64/548266964.db2.gz HWDDRBYJFNPFLY-OAQYLSRUSA-N 2 2 346.515 3.169 20 0 EGADLP COCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240087 548266968 /nfs/dbraw/zinc/26/69/68/548266968.db2.gz HWDDRBYJFNPFLY-OAQYLSRUSA-N 2 2 346.515 3.169 20 0 EGADLP COCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240087 548266972 /nfs/dbraw/zinc/26/69/72/548266972.db2.gz HWDDRBYJFNPFLY-OAQYLSRUSA-N 2 2 346.515 3.169 20 0 EGADLP COCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000671240087 548266976 /nfs/dbraw/zinc/26/69/76/548266976.db2.gz HWDDRBYJFNPFLY-OAQYLSRUSA-N 2 2 346.515 3.169 20 0 EGADLP Cc1cccn2cc(CN3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)[nH+]c12 ZINC000671255247 548271089 /nfs/dbraw/zinc/27/10/89/548271089.db2.gz ITYRSYPHJGBYOX-FQEVSTJZSA-N 2 2 334.467 3.001 20 0 EGADLP Cc1cccn2cc(CN3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)[nH+]c12 ZINC000671255247 548271092 /nfs/dbraw/zinc/27/10/92/548271092.db2.gz ITYRSYPHJGBYOX-FQEVSTJZSA-N 2 2 334.467 3.001 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000674751726 548790610 /nfs/dbraw/zinc/79/06/10/548790610.db2.gz TUCBXCFNKSTXKL-QGZVFWFLSA-N 2 2 328.460 3.231 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000674751726 548790613 /nfs/dbraw/zinc/79/06/13/548790613.db2.gz TUCBXCFNKSTXKL-QGZVFWFLSA-N 2 2 328.460 3.231 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000675754822 548975197 /nfs/dbraw/zinc/97/51/97/548975197.db2.gz YBKNUOZJVRXVSP-OXQOHEQNSA-N 2 2 341.499 3.412 20 0 EGADLP CCOc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCO2 ZINC000675753805 548975629 /nfs/dbraw/zinc/97/56/29/548975629.db2.gz BJMFNUSHBRCVQZ-LJQANCHMSA-N 2 2 330.472 3.373 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000675809527 548986506 /nfs/dbraw/zinc/98/65/06/548986506.db2.gz JRDCRYKXZIRUNV-IMJJTQAJSA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000675809527 548986510 /nfs/dbraw/zinc/98/65/10/548986510.db2.gz JRDCRYKXZIRUNV-IMJJTQAJSA-N 2 2 325.522 3.239 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839265 549164107 /nfs/dbraw/zinc/16/41/07/549164107.db2.gz JTCKVLPBWMLDQA-KUHUBIRLSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839265 549164111 /nfs/dbraw/zinc/16/41/11/549164111.db2.gz JTCKVLPBWMLDQA-KUHUBIRLSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c(C(C)C)nc2s1 ZINC000678235134 549435470 /nfs/dbraw/zinc/43/54/70/549435470.db2.gz OKTDIBPUDMSBMM-CQSZACIVSA-N 2 2 344.488 3.256 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c(C(C)C)nc2s1 ZINC000678235134 549435474 /nfs/dbraw/zinc/43/54/74/549435474.db2.gz OKTDIBPUDMSBMM-CQSZACIVSA-N 2 2 344.488 3.256 20 0 EGADLP CCOCc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678235626 549435659 /nfs/dbraw/zinc/43/56/59/549435659.db2.gz XGQAMTKKGPHRTP-GOSISDBHSA-N 2 2 329.444 3.265 20 0 EGADLP CCOCc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC ZINC000678235626 549435662 /nfs/dbraw/zinc/43/56/62/549435662.db2.gz XGQAMTKKGPHRTP-GOSISDBHSA-N 2 2 329.444 3.265 20 0 EGADLP Fc1ccc(OCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000678313279 549467019 /nfs/dbraw/zinc/46/70/19/549467019.db2.gz SBQBCKWXOLZJLI-UHFFFAOYSA-N 2 2 335.810 3.075 20 0 EGADLP Brc1cc2c(s1)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000678888076 549589189 /nfs/dbraw/zinc/58/91/89/549589189.db2.gz VXOTZHQLPAQIJG-UHFFFAOYSA-N 2 2 326.263 3.156 20 0 EGADLP Brc1cc2c(s1)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000678888076 549589192 /nfs/dbraw/zinc/58/91/92/549589192.db2.gz VXOTZHQLPAQIJG-UHFFFAOYSA-N 2 2 326.263 3.156 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000679346768 549693486 /nfs/dbraw/zinc/69/34/86/549693486.db2.gz QUHHJPAWZVSTNL-INIZCTEOSA-N 2 2 341.499 3.034 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)n1-c1ccccc1 ZINC000682617153 550120930 /nfs/dbraw/zinc/12/09/30/550120930.db2.gz NYRYATAFODCUHB-LJQANCHMSA-N 2 2 337.471 3.444 20 0 EGADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000684822752 550373170 /nfs/dbraw/zinc/37/31/70/550373170.db2.gz TZFIHASVUXNEBA-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000684822752 550373171 /nfs/dbraw/zinc/37/31/71/550373171.db2.gz TZFIHASVUXNEBA-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000685412523 550413189 /nfs/dbraw/zinc/41/31/89/550413189.db2.gz AYPPYKSWZMXMMD-HNNXBMFYSA-N 2 2 340.870 3.208 20 0 EGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000685412523 550413191 /nfs/dbraw/zinc/41/31/91/550413191.db2.gz AYPPYKSWZMXMMD-HNNXBMFYSA-N 2 2 340.870 3.208 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000685431260 550415722 /nfs/dbraw/zinc/41/57/22/550415722.db2.gz GCFIMSIEZXCBSL-YKUAXSNGSA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000685431260 550415725 /nfs/dbraw/zinc/41/57/25/550415725.db2.gz GCFIMSIEZXCBSL-YKUAXSNGSA-N 2 2 336.426 3.022 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731675331 575196738 /nfs/dbraw/zinc/19/67/38/575196738.db2.gz QGZOBTHONJFQRM-IBGZPJMESA-N 2 2 346.515 3.237 20 0 EGADLP CCCCCC[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000742075327 576746907 /nfs/dbraw/zinc/74/69/07/576746907.db2.gz VYFVFJTZSUARGQ-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP CCCCCC[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000742075327 576746909 /nfs/dbraw/zinc/74/69/09/576746909.db2.gz VYFVFJTZSUARGQ-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000066542885 1292121796 /nfs/dbraw/zinc/12/17/96/1292121796.db2.gz DJROKSQIFQRSNC-UHFFFAOYSA-N 2 2 342.487 3.475 20 0 EGADLP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000068256564 1292195047 /nfs/dbraw/zinc/19/50/47/1292195047.db2.gz SRCNRZVARRETQL-MRXNPFEDSA-N 2 2 348.450 3.425 20 0 EGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(F)cccc3F)cc2)CC1 ZINC000069785282 1292252797 /nfs/dbraw/zinc/25/27/97/1292252797.db2.gz GENONZJCHCPTSH-UHFFFAOYSA-N 2 2 345.437 3.002 20 0 EGADLP [NH3+][C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccccc1 ZINC000831799352 1292920457 /nfs/dbraw/zinc/92/04/57/1292920457.db2.gz YBZNKXMZZOLMAF-MRXNPFEDSA-N 2 2 344.484 3.158 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112678630 1293132143 /nfs/dbraw/zinc/13/21/43/1293132143.db2.gz QUDIGESSZMMXAT-HXUWFJFHSA-N 2 2 344.547 3.496 20 0 EGADLP CCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112678630 1293132146 /nfs/dbraw/zinc/13/21/46/1293132146.db2.gz QUDIGESSZMMXAT-HXUWFJFHSA-N 2 2 344.547 3.496 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000123269194 1293438908 /nfs/dbraw/zinc/43/89/08/1293438908.db2.gz YIWKSZSFDMMBNU-UHFFFAOYSA-N 2 2 344.418 3.475 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nc1 ZINC000134286551 1293769219 /nfs/dbraw/zinc/76/92/19/1293769219.db2.gz OQYVFGMOUXCNPL-MRXNPFEDSA-N 2 2 342.462 3.132 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000159352871 1294233183 /nfs/dbraw/zinc/23/31/83/1294233183.db2.gz JCDHBRRUYJIYTH-KRWDZBQOSA-N 2 2 341.503 3.304 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085975 1295368103 /nfs/dbraw/zinc/36/81/03/1295368103.db2.gz WORYWBRZHZYBTO-YOEHRIQHSA-N 2 2 328.859 3.319 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085975 1295368110 /nfs/dbraw/zinc/36/81/10/1295368110.db2.gz WORYWBRZHZYBTO-YOEHRIQHSA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085975 1295368117 /nfs/dbraw/zinc/36/81/17/1295368117.db2.gz WORYWBRZHZYBTO-YOEHRIQHSA-N 2 2 328.859 3.319 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(F)cc1Cl ZINC000187085975 1295368120 /nfs/dbraw/zinc/36/81/20/1295368120.db2.gz WORYWBRZHZYBTO-YOEHRIQHSA-N 2 2 328.859 3.319 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000236592832 1296192366 /nfs/dbraw/zinc/19/23/66/1296192366.db2.gz UKVFJILZFBNBFU-LJQANCHMSA-N 2 2 338.451 3.212 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000236592832 1296192370 /nfs/dbraw/zinc/19/23/70/1296192370.db2.gz UKVFJILZFBNBFU-LJQANCHMSA-N 2 2 338.451 3.212 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000873109416 1297275296 /nfs/dbraw/zinc/27/52/96/1297275296.db2.gz QEWKOFDXYKKABP-NSHDSACASA-N 2 2 338.224 3.198 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000383761379 1297575064 /nfs/dbraw/zinc/57/50/64/1297575064.db2.gz DWDIVDSLTUTSPO-WMLDXEAASA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000383761379 1297575069 /nfs/dbraw/zinc/57/50/69/1297575069.db2.gz DWDIVDSLTUTSPO-WMLDXEAASA-N 2 2 346.906 3.382 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385409 1297729036 /nfs/dbraw/zinc/72/90/36/1297729036.db2.gz YDMNFJUINOHBJB-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400385409 1297729046 /nfs/dbraw/zinc/72/90/46/1297729046.db2.gz YDMNFJUINOHBJB-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP Fc1ccccc1C1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420951257 1297788646 /nfs/dbraw/zinc/78/86/46/1297788646.db2.gz SKPBVNFYNPAGQL-UHFFFAOYSA-N 2 2 340.442 3.437 20 0 EGADLP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073081 1298173963 /nfs/dbraw/zinc/17/39/63/1298173963.db2.gz TXKAAMMGOPWZPO-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000700073081 1298173972 /nfs/dbraw/zinc/17/39/72/1298173972.db2.gz TXKAAMMGOPWZPO-VQIMIIECSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525985 1298240112 /nfs/dbraw/zinc/24/01/12/1298240112.db2.gz DEMJCCUBDIRGLO-IEBWSBKVSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525985 1298240124 /nfs/dbraw/zinc/24/01/24/1298240124.db2.gz DEMJCCUBDIRGLO-IEBWSBKVSA-N 2 2 348.494 3.431 20 0 EGADLP Cc1nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000715534019 1298280755 /nfs/dbraw/zinc/28/07/55/1298280755.db2.gz UDGFQJQVBREFMR-NEPJUHHUSA-N 2 2 327.270 3.141 20 0 EGADLP O[C@H](C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000747681172 1298828164 /nfs/dbraw/zinc/82/81/64/1298828164.db2.gz HVKXWESSFUGCAK-CYBMUJFWSA-N 2 2 329.271 3.029 20 0 EGADLP O[C@H](C[N@H+](Cc1ccc(F)cc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000747683126 1298831001 /nfs/dbraw/zinc/83/10/01/1298831001.db2.gz RWONXSDAPKOAMQ-SFHVURJKSA-N 2 2 338.442 3.166 20 0 EGADLP O[C@H](C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000747683126 1298831006 /nfs/dbraw/zinc/83/10/06/1298831006.db2.gz RWONXSDAPKOAMQ-SFHVURJKSA-N 2 2 338.442 3.166 20 0 EGADLP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000876730659 1298942655 /nfs/dbraw/zinc/94/26/55/1298942655.db2.gz JBCCPPTVQYPXQH-WKILWMFISA-N 2 2 338.455 3.342 20 0 EGADLP CCCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC000876736394 1298946609 /nfs/dbraw/zinc/94/66/09/1298946609.db2.gz KPGFHJMFZGTCRK-UHFFFAOYSA-N 2 2 334.504 3.062 20 0 EGADLP CCCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC000876736394 1298946614 /nfs/dbraw/zinc/94/66/14/1298946614.db2.gz KPGFHJMFZGTCRK-UHFFFAOYSA-N 2 2 334.504 3.062 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CS[C@H](C)C1 ZINC000876828260 1299019734 /nfs/dbraw/zinc/01/97/34/1299019734.db2.gz PFSGFIMMYGQJAR-CABCVRRESA-N 2 2 335.517 3.143 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877026806 1299119493 /nfs/dbraw/zinc/11/94/93/1299119493.db2.gz HPKFDNHPTAIXEM-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877026806 1299119500 /nfs/dbraw/zinc/11/95/00/1299119500.db2.gz HPKFDNHPTAIXEM-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)co1 ZINC000878196957 1299814098 /nfs/dbraw/zinc/81/40/98/1299814098.db2.gz KAWQODDQXFXZHA-MAUKXSAKSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)co1 ZINC000878196957 1299814108 /nfs/dbraw/zinc/81/41/08/1299814108.db2.gz KAWQODDQXFXZHA-MAUKXSAKSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)co1 ZINC000878196957 1299814116 /nfs/dbraw/zinc/81/41/16/1299814116.db2.gz KAWQODDQXFXZHA-MAUKXSAKSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)co1 ZINC000878196957 1299814123 /nfs/dbraw/zinc/81/41/23/1299814123.db2.gz KAWQODDQXFXZHA-MAUKXSAKSA-N 2 2 341.455 3.266 20 0 EGADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215970 1300301127 /nfs/dbraw/zinc/30/11/27/1300301127.db2.gz YZJZSXFPICICKB-QUDYQQOWSA-N 2 2 347.547 3.138 20 0 EGADLP C/C(=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000755215970 1300301140 /nfs/dbraw/zinc/30/11/40/1300301140.db2.gz YZJZSXFPICICKB-QUDYQQOWSA-N 2 2 347.547 3.138 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866596151 1330131269 /nfs/dbraw/zinc/13/12/69/1330131269.db2.gz BOCYNXVGZULSCH-WQVCFCJDSA-N 2 2 341.293 3.209 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Br)c1 ZINC000866596151 1330131270 /nfs/dbraw/zinc/13/12/70/1330131270.db2.gz BOCYNXVGZULSCH-WQVCFCJDSA-N 2 2 341.293 3.209 20 0 EGADLP COc1ccc(OCC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880568564 1301163847 /nfs/dbraw/zinc/16/38/47/1301163847.db2.gz CIIUIPACCQOKKF-HXUWFJFHSA-N 2 2 337.423 3.302 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568631 1301164871 /nfs/dbraw/zinc/16/48/71/1301164871.db2.gz BQMLLQTVPQVEEP-LEWJYISDSA-N 2 2 335.451 3.208 20 0 EGADLP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860227 1301179665 /nfs/dbraw/zinc/17/96/65/1301179665.db2.gz YYSQGEUSTMDYSP-KSSFIOAISA-N 2 2 340.870 3.320 20 0 EGADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)c(F)c1 ZINC000759860227 1301179669 /nfs/dbraw/zinc/17/96/69/1301179669.db2.gz YYSQGEUSTMDYSP-KSSFIOAISA-N 2 2 340.870 3.320 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000762072528 1301608174 /nfs/dbraw/zinc/60/81/74/1301608174.db2.gz DHJRRUNPSVNXOJ-QGZVFWFLSA-N 2 2 348.535 3.400 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000762072528 1301608183 /nfs/dbraw/zinc/60/81/83/1301608183.db2.gz DHJRRUNPSVNXOJ-QGZVFWFLSA-N 2 2 348.535 3.400 20 0 EGADLP C[NH+](C)C1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC1 ZINC000763023280 1301805623 /nfs/dbraw/zinc/80/56/23/1301805623.db2.gz MNUCOYOVAHIALE-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CC[C@@H](C(=O)Nc1nc(C[NH+](CC)CC)cs1)[NH+](CC)CC ZINC000763975811 1301993473 /nfs/dbraw/zinc/99/34/73/1301993473.db2.gz OHTXKOITTWUIRC-AWEZNQCLSA-N 2 2 326.510 3.044 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000765968667 1302357600 /nfs/dbraw/zinc/35/76/00/1302357600.db2.gz IPGCWMYRMOEEHJ-UHFFFAOYSA-N 2 2 333.545 3.454 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000883388196 1302427979 /nfs/dbraw/zinc/42/79/79/1302427979.db2.gz OZFYXUHBMLTHDV-VQIMIIECSA-N 2 2 336.439 3.249 20 0 EGADLP CC[C@H](C[C@@H](C)CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766359911 1302438221 /nfs/dbraw/zinc/43/82/21/1302438221.db2.gz IKQVREMOLYTECB-IAGOWNOFSA-N 2 2 333.520 3.108 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000767434221 1302675570 /nfs/dbraw/zinc/67/55/70/1302675570.db2.gz LVGHUOUDNYUUMI-CJNGLKHVSA-N 2 2 341.390 3.155 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000767434221 1302675581 /nfs/dbraw/zinc/67/55/81/1302675581.db2.gz LVGHUOUDNYUUMI-CJNGLKHVSA-N 2 2 341.390 3.155 20 0 EGADLP Cc1[nH+]ccn1CCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000767642059 1302728887 /nfs/dbraw/zinc/72/88/87/1302728887.db2.gz ILVGIPBFIGQDQY-LJQANCHMSA-N 2 2 341.455 3.180 20 0 EGADLP Cc1[nH+]ccn1CCCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000767642059 1302728897 /nfs/dbraw/zinc/72/88/97/1302728897.db2.gz ILVGIPBFIGQDQY-LJQANCHMSA-N 2 2 341.455 3.180 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC000769688809 1303158832 /nfs/dbraw/zinc/15/88/32/1303158832.db2.gz CYYBXOZHQWTWJS-BRWVUGGUSA-N 2 2 341.540 3.388 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000885983404 1303308872 /nfs/dbraw/zinc/30/88/72/1303308872.db2.gz FPZKJVYDVRTTQM-MJGOQNOKSA-N 2 2 346.515 3.434 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000886188484 1303391100 /nfs/dbraw/zinc/39/11/00/1303391100.db2.gz STEPCYABYZXIFN-TZIWHRDSSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000886188484 1303391107 /nfs/dbraw/zinc/39/11/07/1303391107.db2.gz STEPCYABYZXIFN-TZIWHRDSSA-N 2 2 346.515 3.026 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3)CC2)[nH+]c1C ZINC000886668461 1303547549 /nfs/dbraw/zinc/54/75/49/1303547549.db2.gz TWOGXKQIULKLIS-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886867755 1303619672 /nfs/dbraw/zinc/61/96/72/1303619672.db2.gz MZTYMPVGRTXDNN-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886867755 1303619673 /nfs/dbraw/zinc/61/96/73/1303619673.db2.gz MZTYMPVGRTXDNN-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000773108850 1303626051 /nfs/dbraw/zinc/62/60/51/1303626051.db2.gz RQORHJUXDKMKAE-KRWDZBQOSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130358 1303685114 /nfs/dbraw/zinc/68/51/14/1303685114.db2.gz BWSBUUSDSFDTJG-HOTGVXAUSA-N 2 2 349.438 3.403 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130358 1303685116 /nfs/dbraw/zinc/68/51/16/1303685116.db2.gz BWSBUUSDSFDTJG-HOTGVXAUSA-N 2 2 349.438 3.403 20 0 EGADLP Cc1nnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nc1C ZINC000775479061 1303970202 /nfs/dbraw/zinc/97/02/02/1303970202.db2.gz BSMSYWSKRHHUTP-UHFFFAOYSA-N 2 2 340.475 3.010 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000779018123 1304518133 /nfs/dbraw/zinc/51/81/33/1304518133.db2.gz YRQSUXPBMLQLHU-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000779018123 1304518134 /nfs/dbraw/zinc/51/81/34/1304518134.db2.gz YRQSUXPBMLQLHU-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP CCCCC[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000780690288 1304725690 /nfs/dbraw/zinc/72/56/90/1304725690.db2.gz IZHMNAYEUJQZEJ-HXUWFJFHSA-N 2 2 339.568 3.467 20 0 EGADLP CCCCC[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000780690288 1304725693 /nfs/dbraw/zinc/72/56/93/1304725693.db2.gz IZHMNAYEUJQZEJ-HXUWFJFHSA-N 2 2 339.568 3.467 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178052 1304926428 /nfs/dbraw/zinc/92/64/28/1304926428.db2.gz ZFQWSSGIQKFEBG-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178052 1304926430 /nfs/dbraw/zinc/92/64/30/1304926430.db2.gz ZFQWSSGIQKFEBG-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178052 1304926434 /nfs/dbraw/zinc/92/64/34/1304926434.db2.gz ZFQWSSGIQKFEBG-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000782178052 1304926436 /nfs/dbraw/zinc/92/64/36/1304926436.db2.gz ZFQWSSGIQKFEBG-MJGOQNOKSA-N 2 2 330.520 3.234 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnn(C)c3C3CC3)C2)CC1 ZINC000891823697 1305179183 /nfs/dbraw/zinc/17/91/83/1305179183.db2.gz ZJAVYUXOJNGIOX-KRWDZBQOSA-N 2 2 330.520 3.241 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnn(C)c3C3CC3)C2)CC1 ZINC000891823697 1305179186 /nfs/dbraw/zinc/17/91/86/1305179186.db2.gz ZJAVYUXOJNGIOX-KRWDZBQOSA-N 2 2 330.520 3.241 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2scnc2C2CC2)cn1 ZINC000785423703 1305347926 /nfs/dbraw/zinc/34/79/26/1305347926.db2.gz OYGZNUYFDNDAIQ-UHFFFAOYSA-N 2 2 325.441 3.199 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788247117 1305906251 /nfs/dbraw/zinc/90/62/51/1305906251.db2.gz VRBUQNFVZITDRO-HOTGVXAUSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612442 1305983036 /nfs/dbraw/zinc/98/30/36/1305983036.db2.gz MGIQRDFNXNFIKP-QZTJIDSGSA-N 2 2 345.487 3.114 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788612442 1305983045 /nfs/dbraw/zinc/98/30/45/1305983045.db2.gz MGIQRDFNXNFIKP-QZTJIDSGSA-N 2 2 345.487 3.114 20 0 EGADLP CCc1cc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nc(CC)[nH+]1 ZINC000894131102 1306236265 /nfs/dbraw/zinc/23/62/65/1306236265.db2.gz OGCJTPBOLJDDRW-UHFFFAOYSA-N 2 2 344.425 3.454 20 0 EGADLP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000894227177 1306289440 /nfs/dbraw/zinc/28/94/40/1306289440.db2.gz QIKDGDSAEMMQKI-HXUWFJFHSA-N 2 2 325.456 3.092 20 0 EGADLP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000894227177 1306289445 /nfs/dbraw/zinc/28/94/45/1306289445.db2.gz QIKDGDSAEMMQKI-HXUWFJFHSA-N 2 2 325.456 3.092 20 0 EGADLP Cc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1C ZINC000895501683 1309376252 /nfs/dbraw/zinc/37/62/52/1309376252.db2.gz JFQVCZFWHVYIHL-LJQANCHMSA-N 2 2 327.472 3.013 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)[C@@H]1SC ZINC000895705736 1309475730 /nfs/dbraw/zinc/47/57/30/1309475730.db2.gz FKNXWIXTPNOLRM-FJIDUMEYSA-N 2 2 331.485 3.123 20 0 EGADLP COCCOc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000896198216 1309739973 /nfs/dbraw/zinc/73/99/73/1309739973.db2.gz LCYSXHWMORUASS-UHFFFAOYSA-N 2 2 341.455 3.183 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000897868613 1310500500 /nfs/dbraw/zinc/50/05/00/1310500500.db2.gz CEIAMHMWTFIHNF-MRXNPFEDSA-N 2 2 346.862 3.015 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000897868613 1310500506 /nfs/dbraw/zinc/50/05/06/1310500506.db2.gz CEIAMHMWTFIHNF-MRXNPFEDSA-N 2 2 346.862 3.015 20 0 EGADLP COc1ccc([C@@H]([NH2+]CC2([NH3+])CC2)C(C)C)c(Br)c1 ZINC000902404892 1317573868 /nfs/dbraw/zinc/57/38/68/1317573868.db2.gz GSPRWONVTAPOGB-AWEZNQCLSA-N 2 2 327.266 3.236 20 0 EGADLP CNc1ccc(C)cc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000902405910 1317574896 /nfs/dbraw/zinc/57/48/96/1317574896.db2.gz LRIQLBAILNIXNB-GOSISDBHSA-N 2 2 339.487 3.184 20 0 EGADLP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001020296630 1317632644 /nfs/dbraw/zinc/63/26/44/1317632644.db2.gz YBGXCRBRFDTGLA-UNUDIURISA-N 2 2 340.471 3.240 20 0 EGADLP CCN(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccco1 ZINC000903083394 1317649526 /nfs/dbraw/zinc/64/95/26/1317649526.db2.gz GJSBWMZRRDGRSE-ZCTYVAAUSA-N 2 2 331.504 3.410 20 0 EGADLP CCN(CC)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903083394 1317649533 /nfs/dbraw/zinc/64/95/33/1317649533.db2.gz GJSBWMZRRDGRSE-ZCTYVAAUSA-N 2 2 331.504 3.410 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)c(C)c1 ZINC001020388624 1317675583 /nfs/dbraw/zinc/67/55/83/1317675583.db2.gz CNSOCVAMNVENLE-IYARVYRRSA-N 2 2 348.450 3.002 20 0 EGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797985 1317736600 /nfs/dbraw/zinc/73/66/00/1317736600.db2.gz LXZOMVFJQQCJFS-CTNGQTDRSA-N 2 2 337.467 3.364 20 0 EGADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000903797985 1317736608 /nfs/dbraw/zinc/73/66/08/1317736608.db2.gz LXZOMVFJQQCJFS-CTNGQTDRSA-N 2 2 337.467 3.364 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000903897692 1317744990 /nfs/dbraw/zinc/74/49/90/1317744990.db2.gz INIVLNFBKQSKND-GJZGRUSLSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000903897692 1317744997 /nfs/dbraw/zinc/74/49/97/1317744997.db2.gz INIVLNFBKQSKND-GJZGRUSLSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CC(F)F ZINC000903920746 1317748818 /nfs/dbraw/zinc/74/88/18/1317748818.db2.gz LJAJWROJEOHUPF-QGZVFWFLSA-N 3 2 325.447 3.135 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000809754533 1317891250 /nfs/dbraw/zinc/89/12/50/1317891250.db2.gz DTHUSOUHAOLPKL-UHFFFAOYSA-N 2 2 344.290 3.398 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000809754533 1317891257 /nfs/dbraw/zinc/89/12/57/1317891257.db2.gz DTHUSOUHAOLPKL-UHFFFAOYSA-N 2 2 344.290 3.398 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2c[nH+]cn2CC)C1 ZINC000908251754 1318318659 /nfs/dbraw/zinc/31/86/59/1318318659.db2.gz NBVBDTOCRAJKDC-IAGOWNOFSA-N 2 2 332.492 3.079 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2c[nH+]cn2CC)C1 ZINC000908251754 1318318665 /nfs/dbraw/zinc/31/86/65/1318318665.db2.gz NBVBDTOCRAJKDC-IAGOWNOFSA-N 2 2 332.492 3.079 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575939 1318422593 /nfs/dbraw/zinc/42/25/93/1318422593.db2.gz PHZZHZGQTFJZIB-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001021575939 1318422596 /nfs/dbraw/zinc/42/25/96/1318422596.db2.gz PHZZHZGQTFJZIB-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c(C)cc(C)[nH+]c3C)C2)cc1 ZINC001022461678 1318950551 /nfs/dbraw/zinc/95/05/51/1318950551.db2.gz SQLOVMLVUIQUBW-KDURUIRLSA-N 2 2 337.467 3.366 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000817890970 1319453925 /nfs/dbraw/zinc/45/39/25/1319453925.db2.gz CSGUNJRKFRHCIW-BRWVUGGUSA-N 2 2 336.357 3.171 20 0 EGADLP CCCCn1c(SC[C@@H]2CCC[N@@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000915471974 1319488189 /nfs/dbraw/zinc/48/81/89/1319488189.db2.gz PRWVBUIQAAMQMY-LSDHHAIUSA-N 2 2 339.553 3.277 20 0 EGADLP CCCCn1c(SC[C@@H]2CCC[N@H+]2C)nnc1[C@@H](CC)[NH+](C)C ZINC000915471974 1319488195 /nfs/dbraw/zinc/48/81/95/1319488195.db2.gz PRWVBUIQAAMQMY-LSDHHAIUSA-N 2 2 339.553 3.277 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961393747 1319547923 /nfs/dbraw/zinc/54/79/23/1319547923.db2.gz QNMALRKJGHMSFU-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000961393747 1319547937 /nfs/dbraw/zinc/54/79/37/1319547937.db2.gz QNMALRKJGHMSFU-IBGZPJMESA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819078248 1319628779 /nfs/dbraw/zinc/62/87/79/1319628779.db2.gz HFQKMAZVRXAKAP-ZBFHGGJFSA-N 2 2 346.393 3.083 20 0 EGADLP C[NH2+]CCc1ccccc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000822780131 1320123433 /nfs/dbraw/zinc/12/34/33/1320123433.db2.gz CWHOZECDLZVNQI-UHFFFAOYSA-N 2 2 347.422 3.045 20 0 EGADLP Fc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000823737084 1320202083 /nfs/dbraw/zinc/20/20/83/1320202083.db2.gz SDRJWMXSJSUFIB-MRXNPFEDSA-N 2 2 331.410 3.362 20 0 EGADLP Fc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000823737084 1320202087 /nfs/dbraw/zinc/20/20/87/1320202087.db2.gz SDRJWMXSJSUFIB-MRXNPFEDSA-N 2 2 331.410 3.362 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)c[nH+]1 ZINC000838921105 1320835721 /nfs/dbraw/zinc/83/57/21/1320835721.db2.gz IYQTUUDYOVKHSG-UHFFFAOYSA-N 3 2 333.439 3.026 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474532 1321393463 /nfs/dbraw/zinc/39/34/63/1321393463.db2.gz VCXYQCWYWGPKDW-AZUAARDMSA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000842474532 1321393466 /nfs/dbraw/zinc/39/34/66/1321393466.db2.gz VCXYQCWYWGPKDW-AZUAARDMSA-N 2 2 337.467 3.242 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000842476577 1321394438 /nfs/dbraw/zinc/39/44/38/1321394438.db2.gz RQUCOFLUFJWTGQ-MRXNPFEDSA-N 2 2 332.879 3.312 20 0 EGADLP C[C@@H](CC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470864 1321711030 /nfs/dbraw/zinc/71/10/30/1321711030.db2.gz AGYCLAGMUOLWQA-PKOBYXMFSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@@H](CC(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470864 1321711036 /nfs/dbraw/zinc/71/10/36/1321711036.db2.gz AGYCLAGMUOLWQA-PKOBYXMFSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@H](CC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470863 1321711069 /nfs/dbraw/zinc/71/10/69/1321711069.db2.gz AGYCLAGMUOLWQA-MJGOQNOKSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@H](CC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470863 1321711072 /nfs/dbraw/zinc/71/10/72/1321711072.db2.gz AGYCLAGMUOLWQA-MJGOQNOKSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@H](CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581823 1321720188 /nfs/dbraw/zinc/72/01/88/1321720188.db2.gz LPEDVCIACBWZAF-ZHALLVOQSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@H](CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581823 1321720192 /nfs/dbraw/zinc/72/01/92/1321720192.db2.gz LPEDVCIACBWZAF-ZHALLVOQSA-N 2 2 341.455 3.288 20 0 EGADLP c1cc([NH+]2CCCC2)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848537353 1321971648 /nfs/dbraw/zinc/97/16/48/1321971648.db2.gz FQCUIDMVGXGFAD-FQEVSTJZSA-N 2 2 329.488 3.342 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccco1 ZINC000849051795 1322060139 /nfs/dbraw/zinc/06/01/39/1322060139.db2.gz XAQUQRGAAIFOMD-GDBMZVCRSA-N 2 2 344.459 3.032 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1(Br)CC1 ZINC000924623378 1323080174 /nfs/dbraw/zinc/08/01/74/1323080174.db2.gz HNENEQVWSUZMML-ZDUSSCGKSA-N 2 2 334.261 3.337 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000924624624 1323080648 /nfs/dbraw/zinc/08/06/48/1323080648.db2.gz MXWZCIBDDQUQFR-RXVVDRJESA-N 2 2 349.482 3.166 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000924632909 1323085206 /nfs/dbraw/zinc/08/52/06/1323085206.db2.gz SZLUQSUEPNPZLU-YSGRDPCXSA-N 2 2 349.494 3.101 20 0 EGADLP c1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(N2CCCCC2)n1 ZINC000924698759 1323118969 /nfs/dbraw/zinc/11/89/69/1323118969.db2.gz AFWXSTPMDUUBIQ-RBUKOAKNSA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(N2CCCCC2)n1 ZINC000924698759 1323118975 /nfs/dbraw/zinc/11/89/75/1323118975.db2.gz AFWXSTPMDUUBIQ-RBUKOAKNSA-N 2 2 328.504 3.178 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCCNc2cccc[nH+]2)cn1 ZINC000924928717 1323217176 /nfs/dbraw/zinc/21/71/76/1323217176.db2.gz YOUCFKVWHKIDNE-MSOLQXFVSA-N 2 2 327.476 3.008 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024492455 1323444220 /nfs/dbraw/zinc/44/42/20/1323444220.db2.gz MNEGRQHFRIVKSE-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024492455 1323444223 /nfs/dbraw/zinc/44/42/23/1323444223.db2.gz MNEGRQHFRIVKSE-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024492455 1323444229 /nfs/dbraw/zinc/44/42/29/1323444229.db2.gz MNEGRQHFRIVKSE-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCCC[N@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024492455 1323444235 /nfs/dbraw/zinc/44/42/35/1323444235.db2.gz MNEGRQHFRIVKSE-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)c1c[nH+]c[nH]1 ZINC001025138499 1323916998 /nfs/dbraw/zinc/91/69/98/1323916998.db2.gz PDFHJJBSJVUMOL-KRWDZBQOSA-N 2 2 344.503 3.158 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237038 1324027655 /nfs/dbraw/zinc/02/76/55/1324027655.db2.gz JDUXYMCEVVIHLB-MOPGFXCFSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025237038 1324027658 /nfs/dbraw/zinc/02/76/58/1324027658.db2.gz JDUXYMCEVVIHLB-MOPGFXCFSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237038 1324027666 /nfs/dbraw/zinc/02/76/66/1324027666.db2.gz JDUXYMCEVVIHLB-MOPGFXCFSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025237038 1324027676 /nfs/dbraw/zinc/02/76/76/1324027676.db2.gz JDUXYMCEVVIHLB-MOPGFXCFSA-N 2 2 344.503 3.154 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255625 1324062740 /nfs/dbraw/zinc/06/27/40/1324062740.db2.gz RIFOGMZYXCTPIF-RBUKOAKNSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255625 1324062743 /nfs/dbraw/zinc/06/27/43/1324062743.db2.gz RIFOGMZYXCTPIF-RBUKOAKNSA-N 2 2 346.519 3.165 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303692 1324137454 /nfs/dbraw/zinc/13/74/54/1324137454.db2.gz JERQZDCPKYIFCV-RTBURBONSA-N 2 2 346.519 3.165 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025303692 1324137460 /nfs/dbraw/zinc/13/74/60/1324137460.db2.gz JERQZDCPKYIFCV-RTBURBONSA-N 2 2 346.519 3.165 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCC4)[C@H]3C2)c(C)[nH+]1 ZINC001026317236 1324721495 /nfs/dbraw/zinc/72/14/95/1324721495.db2.gz KUNWLXPBOWVBSD-FHWLQOOXSA-N 2 2 341.499 3.247 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC2CCC([NH2+]CC3CCCC3)CC2)c[nH+]1 ZINC001026513773 1324859318 /nfs/dbraw/zinc/85/93/18/1324859318.db2.gz FUXSOYJUVCQREO-UHFFFAOYSA-N 2 2 346.519 3.134 20 0 EGADLP O=C(NC1CCC([NH2+]Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001026527556 1324868943 /nfs/dbraw/zinc/86/89/43/1324868943.db2.gz VOEWFDOAIULMOZ-UHFFFAOYSA-N 2 2 348.450 3.165 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001026583417 1324910837 /nfs/dbraw/zinc/91/08/37/1324910837.db2.gz VSUCOFQDTYDFHW-ZLPCBKJTSA-N 2 2 340.471 3.039 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315830 1325099502 /nfs/dbraw/zinc/09/95/02/1325099502.db2.gz ZPSFHHJUCQDVOP-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315830 1325099510 /nfs/dbraw/zinc/09/95/10/1325099510.db2.gz ZPSFHHJUCQDVOP-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315830 1325099519 /nfs/dbraw/zinc/09/95/19/1325099519.db2.gz ZPSFHHJUCQDVOP-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315830 1325099526 /nfs/dbraw/zinc/09/95/26/1325099526.db2.gz ZPSFHHJUCQDVOP-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853502381 1325107021 /nfs/dbraw/zinc/10/70/21/1325107021.db2.gz YMKYASMMFBLJTL-MOPGFXCFSA-N 2 2 344.503 3.042 20 0 EGADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853502381 1325107024 /nfs/dbraw/zinc/10/70/24/1325107024.db2.gz YMKYASMMFBLJTL-MOPGFXCFSA-N 2 2 344.503 3.042 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001026963307 1325110113 /nfs/dbraw/zinc/11/01/13/1325110113.db2.gz JEBMNRKZXKNLFW-IBGZPJMESA-N 2 2 337.467 3.259 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000925304597 1325118915 /nfs/dbraw/zinc/11/89/15/1325118915.db2.gz WWPGLOSPJVVXMD-GFCCVEGCSA-N 2 2 326.282 3.368 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1OC ZINC000925562483 1325211029 /nfs/dbraw/zinc/21/10/29/1325211029.db2.gz WZMSWJQIQAWKDX-VSOXMLEJSA-N 2 2 330.472 3.131 20 0 EGADLP O=C(Nc1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1)c1ccccc1 ZINC000925625430 1325235959 /nfs/dbraw/zinc/23/59/59/1325235959.db2.gz HQYSCZLNINQNIU-SQEGATDGSA-N 2 2 347.462 3.025 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCCC2 ZINC000925795832 1325304473 /nfs/dbraw/zinc/30/44/73/1325304473.db2.gz KSFZMZNXXDIIPR-HOCLYGCPSA-N 2 2 334.529 3.436 20 0 EGADLP CC(C)C[NH2+]C1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000963550911 1325310391 /nfs/dbraw/zinc/31/03/91/1325310391.db2.gz JSMPBDHVKUCHMS-UHFFFAOYSA-N 2 2 328.460 3.192 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(N2CCCC2)n1 ZINC000926121100 1325436485 /nfs/dbraw/zinc/43/64/85/1325436485.db2.gz LMBFIQLIFCFFSQ-OALUTQOASA-N 2 2 328.504 3.097 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c(N2CCCC2)n1 ZINC000926121100 1325436491 /nfs/dbraw/zinc/43/64/91/1325436491.db2.gz LMBFIQLIFCFFSQ-OALUTQOASA-N 2 2 328.504 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000964277886 1325492906 /nfs/dbraw/zinc/49/29/06/1325492906.db2.gz RGKGLQGSUVQXLY-UHFFFAOYSA-N 2 2 346.519 3.056 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325385 1325517404 /nfs/dbraw/zinc/51/74/04/1325517404.db2.gz LRQOYLRYKCIESO-SJLPKXTDSA-N 2 2 325.456 3.263 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325385 1325517416 /nfs/dbraw/zinc/51/74/16/1325517416.db2.gz LRQOYLRYKCIESO-SJLPKXTDSA-N 2 2 325.456 3.263 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424163 1325548650 /nfs/dbraw/zinc/54/86/50/1325548650.db2.gz MNLZDOXQOZYLEV-GVDBMIGSSA-N 2 2 342.405 3.345 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000926424163 1325548657 /nfs/dbraw/zinc/54/86/57/1325548657.db2.gz MNLZDOXQOZYLEV-GVDBMIGSSA-N 2 2 342.405 3.345 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387716 1325587470 /nfs/dbraw/zinc/58/74/70/1325587470.db2.gz CEJOADZMMSKVPE-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387716 1325587478 /nfs/dbraw/zinc/58/74/78/1325587478.db2.gz CEJOADZMMSKVPE-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000926715877 1327680583 /nfs/dbraw/zinc/68/05/83/1327680583.db2.gz ZMQUQBJHSDOUSD-QINHECLXSA-N 2 2 349.494 3.101 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633429 1327997476 /nfs/dbraw/zinc/99/74/76/1327997476.db2.gz WSGYMQZNKYHXPC-MSOLQXFVSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633429 1327997483 /nfs/dbraw/zinc/99/74/83/1327997483.db2.gz WSGYMQZNKYHXPC-MSOLQXFVSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001027969748 1328444074 /nfs/dbraw/zinc/44/40/74/1328444074.db2.gz UZBRFSPQZCDKNA-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001027969748 1328444075 /nfs/dbraw/zinc/44/40/75/1328444075.db2.gz UZBRFSPQZCDKNA-SFHVURJKSA-N 2 2 348.450 3.266 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052652 1328516639 /nfs/dbraw/zinc/51/66/39/1328516639.db2.gz BHDXNWQETABDDZ-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028052652 1328516645 /nfs/dbraw/zinc/51/66/45/1328516645.db2.gz BHDXNWQETABDDZ-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP O=C(c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)N1CCCC1 ZINC000865620283 1329720996 /nfs/dbraw/zinc/72/09/96/1329720996.db2.gz SVADRUMNPXLSNN-VQTJNVASSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1)N1CCCC1 ZINC000865620283 1329720998 /nfs/dbraw/zinc/72/09/98/1329720998.db2.gz SVADRUMNPXLSNN-VQTJNVASSA-N 2 2 341.499 3.029 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCC23CCOCC3)CC1 ZINC000865777940 1329737384 /nfs/dbraw/zinc/73/73/84/1329737384.db2.gz NWNVOSYAHUDSJM-AWEZNQCLSA-N 2 2 334.426 3.200 20 0 EGADLP CN(c1cc(NCc2ccccc2)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000865799071 1329739370 /nfs/dbraw/zinc/73/93/70/1329739370.db2.gz HDRWEBROBOXDTD-JWTNVVGKSA-N 2 2 337.471 3.150 20 0 EGADLP CN(c1cc(NCc2ccccc2)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000865799071 1329739371 /nfs/dbraw/zinc/73/93/71/1329739371.db2.gz HDRWEBROBOXDTD-JWTNVVGKSA-N 2 2 337.471 3.150 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(NCc4ccccc4)[nH+]cn3)C2)C1 ZINC000865832886 1329743168 /nfs/dbraw/zinc/74/31/68/1329743168.db2.gz QPRYSVLEZLKURI-HXUWFJFHSA-N 2 2 337.471 3.011 20 0 EGADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(NCc4ccccc4)[nH+]cn3)C2)C1 ZINC000865832886 1329743170 /nfs/dbraw/zinc/74/31/70/1329743170.db2.gz QPRYSVLEZLKURI-HXUWFJFHSA-N 2 2 337.471 3.011 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCC4CC4)[C@H](C)C3)ccn12 ZINC000947313827 1333085381 /nfs/dbraw/zinc/08/53/81/1333085381.db2.gz CVFKBZRWKDAMEN-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCC4CC4)[C@H](C)C3)ccn12 ZINC000947313827 1333085382 /nfs/dbraw/zinc/08/53/82/1333085382.db2.gz CVFKBZRWKDAMEN-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767542 1333669751 /nfs/dbraw/zinc/66/97/51/1333669751.db2.gz YFCPFYGOJAEQNC-IAGOWNOFSA-N 2 2 344.503 3.109 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767542 1333669753 /nfs/dbraw/zinc/66/97/53/1333669753.db2.gz YFCPFYGOJAEQNC-IAGOWNOFSA-N 2 2 344.503 3.109 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812749 1333693472 /nfs/dbraw/zinc/69/34/72/1333693472.db2.gz NBDJRSQFRUNHAU-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812749 1333693474 /nfs/dbraw/zinc/69/34/74/1333693474.db2.gz NBDJRSQFRUNHAU-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950469468 1334076959 /nfs/dbraw/zinc/07/69/59/1334076959.db2.gz FDOTVGQXYJUPJF-YLJYHZDGSA-N 2 2 343.515 3.155 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950469468 1334076960 /nfs/dbraw/zinc/07/69/60/1334076960.db2.gz FDOTVGQXYJUPJF-YLJYHZDGSA-N 2 2 343.515 3.155 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1C ZINC000968597308 1335977687 /nfs/dbraw/zinc/97/76/87/1335977687.db2.gz VQLNXKCCDMBSAN-KXBFYZLASA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CCC2CCCCC2)CC[C@@H]1C ZINC000968597308 1335977692 /nfs/dbraw/zinc/97/76/92/1335977692.db2.gz VQLNXKCCDMBSAN-KXBFYZLASA-N 2 2 346.519 3.058 20 0 EGADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001206334947 1371025619 /nfs/dbraw/zinc/02/56/19/1371025619.db2.gz BBZKLARWTWUOLX-OAHLLOKOSA-N 2 2 329.257 3.145 20 0 EGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001206334947 1371025622 /nfs/dbraw/zinc/02/56/22/1371025622.db2.gz BBZKLARWTWUOLX-OAHLLOKOSA-N 2 2 329.257 3.145 20 0 EGADLP CC1CCC(C[N@@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001014939624 1337960606 /nfs/dbraw/zinc/96/06/06/1337960606.db2.gz CXEUJDAESSFVLG-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CCC(C[N@H+]2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001014939624 1337960608 /nfs/dbraw/zinc/96/06/08/1337960608.db2.gz CXEUJDAESSFVLG-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP C[N@H+](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001017221968 1338962263 /nfs/dbraw/zinc/96/22/63/1338962263.db2.gz KHGQEHSWIAIXHB-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001017221968 1338962266 /nfs/dbraw/zinc/96/22/66/1338962266.db2.gz KHGQEHSWIAIXHB-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001017241677 1338974026 /nfs/dbraw/zinc/97/40/26/1338974026.db2.gz VUQSUQSJYGKAIV-QGZVFWFLSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001017241677 1338974030 /nfs/dbraw/zinc/97/40/30/1338974030.db2.gz VUQSUQSJYGKAIV-QGZVFWFLSA-N 2 2 340.471 3.065 20 0 EGADLP O=C(NC[C@H]1CC[N@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632740 1340735222 /nfs/dbraw/zinc/73/52/22/1340735222.db2.gz QYBMVHTXKOJEMX-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632740 1340735229 /nfs/dbraw/zinc/73/52/29/1340735229.db2.gz QYBMVHTXKOJEMX-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@H]1CC[N@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632982 1340735868 /nfs/dbraw/zinc/73/58/68/1340735868.db2.gz UBNUXQCOPFCKEY-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+](CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632982 1340735870 /nfs/dbraw/zinc/73/58/70/1340735870.db2.gz UBNUXQCOPFCKEY-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686832 1340758328 /nfs/dbraw/zinc/75/83/28/1340758328.db2.gz DDCSRCCEJBACFT-DLBZAZTESA-N 2 2 348.450 3.147 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686832 1340758331 /nfs/dbraw/zinc/75/83/31/1340758331.db2.gz DDCSRCCEJBACFT-DLBZAZTESA-N 2 2 348.450 3.147 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3C[NH+](CC4CCCCCC4)C3)ccn12 ZINC001030312294 1341177949 /nfs/dbraw/zinc/17/79/49/1341177949.db2.gz HZHVZGSPZMGFJT-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001030529107 1341194594 /nfs/dbraw/zinc/19/45/94/1341194594.db2.gz UBNPPBBAHGSHPI-CABCVRRESA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001030532068 1341195268 /nfs/dbraw/zinc/19/52/68/1341195268.db2.gz DRQAUZKSTWVQFZ-OXJNMPFZSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001030532068 1341195269 /nfs/dbraw/zinc/19/52/69/1341195269.db2.gz DRQAUZKSTWVQFZ-OXJNMPFZSA-N 2 2 343.515 3.156 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031049377 1341270139 /nfs/dbraw/zinc/27/01/39/1341270139.db2.gz CJDLTTXRHJKDIV-FXAWDEMLSA-N 2 2 343.515 3.203 20 0 EGADLP CC1CCC(C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001031773312 1341399782 /nfs/dbraw/zinc/39/97/82/1341399782.db2.gz RGJHXEKXUNULSV-UHFFFAOYSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839729 1341631086 /nfs/dbraw/zinc/63/10/86/1341631086.db2.gz HIBNPAOYNQAWOA-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839729 1341631088 /nfs/dbraw/zinc/63/10/88/1341631088.db2.gz HIBNPAOYNQAWOA-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839729 1341631089 /nfs/dbraw/zinc/63/10/89/1341631089.db2.gz HIBNPAOYNQAWOA-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839729 1341631091 /nfs/dbraw/zinc/63/10/91/1341631091.db2.gz HIBNPAOYNQAWOA-OLMNPRSZSA-N 2 2 349.906 3.076 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950045 1342108965 /nfs/dbraw/zinc/10/89/65/1342108965.db2.gz OHWIAYMBXXWXND-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950045 1342108966 /nfs/dbraw/zinc/10/89/66/1342108966.db2.gz OHWIAYMBXXWXND-SJORKVTESA-N 2 2 346.519 3.189 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206494 1342316997 /nfs/dbraw/zinc/31/69/97/1342316997.db2.gz JSESLDXNRXDSHW-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034206494 1342317000 /nfs/dbraw/zinc/31/70/00/1342317000.db2.gz JSESLDXNRXDSHW-CRAIPNDOSA-N 2 2 342.487 3.273 20 0 EGADLP O=C(N[C@@H]1CCCC[N@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034271110 1342362039 /nfs/dbraw/zinc/36/20/39/1342362039.db2.gz LHZDQTRRERFLMC-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CCCC[N@@H+](CC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034271110 1342362045 /nfs/dbraw/zinc/36/20/45/1342362045.db2.gz LHZDQTRRERFLMC-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001034746096 1342734221 /nfs/dbraw/zinc/73/42/21/1342734221.db2.gz RFOKETPOUFSGIM-ZHALLVOQSA-N 2 2 340.471 3.121 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)C2)c(C)[nH+]1 ZINC001035001602 1342869993 /nfs/dbraw/zinc/86/99/93/1342869993.db2.gz ZAXPBHKYKXOSAE-ZTUNLMCQSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@@H](CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1)n1cc[nH+]c1 ZINC001035807563 1343208172 /nfs/dbraw/zinc/20/81/72/1343208172.db2.gz JOKZJKWWNYKRAE-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036242114 1343374530 /nfs/dbraw/zinc/37/45/30/1343374530.db2.gz TWBFWEHUFFOIBX-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037970856 1344211318 /nfs/dbraw/zinc/21/13/18/1344211318.db2.gz UVVTZHGTGJLRHI-ZWKOTPCHSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214967 1344931003 /nfs/dbraw/zinc/93/10/03/1344931003.db2.gz ICRZICPOXPFJCJ-DLBZAZTESA-N 2 2 340.471 3.059 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214967 1344931006 /nfs/dbraw/zinc/93/10/06/1344931006.db2.gz ICRZICPOXPFJCJ-DLBZAZTESA-N 2 2 340.471 3.059 20 0 EGADLP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001039285559 1344996820 /nfs/dbraw/zinc/99/68/20/1344996820.db2.gz WAPIBJQKFXOAFY-ALOPSCKCSA-N 2 2 340.471 3.106 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182833 1345368232 /nfs/dbraw/zinc/36/82/32/1345368232.db2.gz ZASFXIGLQDLVOT-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040182833 1345368236 /nfs/dbraw/zinc/36/82/36/1345368236.db2.gz ZASFXIGLQDLVOT-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040257587 1345398498 /nfs/dbraw/zinc/39/84/98/1345398498.db2.gz GNHBJNLJWOHZNS-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001040257587 1345398503 /nfs/dbraw/zinc/39/85/03/1345398503.db2.gz GNHBJNLJWOHZNS-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314483 1346931033 /nfs/dbraw/zinc/93/10/33/1346931033.db2.gz KUWDMVQSYIERGJ-HXUWFJFHSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001046314483 1346931035 /nfs/dbraw/zinc/93/10/35/1346931035.db2.gz KUWDMVQSYIERGJ-HXUWFJFHSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001048041918 1347449014 /nfs/dbraw/zinc/44/90/14/1347449014.db2.gz ZVBOWDAZFAXTDB-DOTOQJQBSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]Cc1ccccc1 ZINC001048294769 1347511484 /nfs/dbraw/zinc/51/14/84/1347511484.db2.gz CUNMHJIVQKICPA-QAPCUYQASA-N 2 2 348.450 3.061 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001048294764 1347511642 /nfs/dbraw/zinc/51/16/42/1347511642.db2.gz CUNMHJIVQKICPA-MAUKXSAKSA-N 2 2 348.450 3.061 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478140 1347868982 /nfs/dbraw/zinc/86/89/82/1347868982.db2.gz LNPOQDHOPOFFJG-MSOLQXFVSA-N 2 2 340.471 3.122 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001049478140 1347868989 /nfs/dbraw/zinc/86/89/89/1347868989.db2.gz LNPOQDHOPOFFJG-MSOLQXFVSA-N 2 2 340.471 3.122 20 0 EGADLP CC(C)CC[NH+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001050563010 1348290188 /nfs/dbraw/zinc/29/01/88/1348290188.db2.gz GIKJLCRRCKXDBG-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001052497097 1348558778 /nfs/dbraw/zinc/55/87/78/1348558778.db2.gz BYCSDJWCLNBOFE-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001052497097 1348558779 /nfs/dbraw/zinc/55/87/79/1348558779.db2.gz BYCSDJWCLNBOFE-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599044 1348591506 /nfs/dbraw/zinc/59/15/06/1348591506.db2.gz RIKZVWNJYYTOKQ-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052599044 1348591507 /nfs/dbraw/zinc/59/15/07/1348591507.db2.gz RIKZVWNJYYTOKQ-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001054798608 1349465437 /nfs/dbraw/zinc/46/54/37/1349465437.db2.gz XKTDVZKZZPJTRK-UGSOOPFHSA-N 2 2 340.471 3.049 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001072123007 1355141936 /nfs/dbraw/zinc/14/19/36/1355141936.db2.gz NEVKOYZXOPKGFX-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001072123007 1355141938 /nfs/dbraw/zinc/14/19/38/1355141938.db2.gz NEVKOYZXOPKGFX-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CC3CC3)C2)c(C)[nH+]1 ZINC001072323147 1355237363 /nfs/dbraw/zinc/23/73/63/1355237363.db2.gz TVWZCWXXPZAKHW-SCLBCKFNSA-N 2 2 329.488 3.105 20 0 EGADLP COc1cc(CC[NH2+][C@H]2CC[C@@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC001183238793 1387283215 /nfs/dbraw/zinc/28/32/15/1387283215.db2.gz PBIASKQZRRKIFJ-XLIONFOSSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cc(CC[NH2+][C@H]2CC[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001183238793 1387283219 /nfs/dbraw/zinc/28/32/19/1387283219.db2.gz PBIASKQZRRKIFJ-XLIONFOSSA-N 2 2 339.483 3.275 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496850 1387313810 /nfs/dbraw/zinc/31/38/10/1387313810.db2.gz PZJXPAAOBLTJRO-QZTJIDSGSA-N 2 2 334.508 3.097 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001085346191 1358474073 /nfs/dbraw/zinc/47/40/73/1358474073.db2.gz KIWXHEYEICIPMH-GUDVDZBRSA-N 2 2 340.471 3.121 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001086400333 1359087804 /nfs/dbraw/zinc/08/78/04/1359087804.db2.gz CHFYNIBXEVDNAH-SAABIXHNSA-N 2 2 348.450 3.170 20 0 EGADLP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001086929570 1359254176 /nfs/dbraw/zinc/25/41/76/1359254176.db2.gz LKAZFAAYIIOFSO-HNNXBMFYSA-N 2 2 340.471 3.288 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088396899 1359872296 /nfs/dbraw/zinc/87/22/96/1359872296.db2.gz UMRDRMBDRVVCKQ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001088396899 1359872302 /nfs/dbraw/zinc/87/23/02/1359872302.db2.gz UMRDRMBDRVVCKQ-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001088404920 1359876889 /nfs/dbraw/zinc/87/68/89/1359876889.db2.gz KFOGITUFKXFGBW-FUHWJXTLSA-N 2 2 340.471 3.074 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384432 1360386215 /nfs/dbraw/zinc/38/62/15/1360386215.db2.gz CMSXPMMLFCPLKF-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC(C)(C)C1 ZINC001089384432 1360386219 /nfs/dbraw/zinc/38/62/19/1360386219.db2.gz CMSXPMMLFCPLKF-QGZVFWFLSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)c(C)[nH+]1 ZINC001184454058 1387464237 /nfs/dbraw/zinc/46/42/37/1387464237.db2.gz QAKHKRUGLYBDET-RDTXWAMCSA-N 2 2 331.504 3.493 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184533585 1387485787 /nfs/dbraw/zinc/48/57/87/1387485787.db2.gz GZJRXMRHFGASRU-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184533585 1387485789 /nfs/dbraw/zinc/48/57/89/1387485789.db2.gz GZJRXMRHFGASRU-SJORKVTESA-N 2 2 348.535 3.243 20 0 EGADLP CCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001184654991 1387504276 /nfs/dbraw/zinc/50/42/76/1387504276.db2.gz XVMSJRHJJNJAFC-FUHWJXTLSA-N 2 2 348.535 3.191 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106288 1363625458 /nfs/dbraw/zinc/62/54/58/1363625458.db2.gz CQRMMNYAZXBTAI-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106288 1363625459 /nfs/dbraw/zinc/62/54/59/1363625459.db2.gz CQRMMNYAZXBTAI-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106288 1363625463 /nfs/dbraw/zinc/62/54/63/1363625463.db2.gz CQRMMNYAZXBTAI-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106288 1363625465 /nfs/dbraw/zinc/62/54/65/1363625465.db2.gz CQRMMNYAZXBTAI-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099115646 1363632364 /nfs/dbraw/zinc/63/23/64/1363632364.db2.gz IYEWLUUWYRAPTL-ZWKOTPCHSA-N 2 2 348.535 3.487 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099115646 1363632366 /nfs/dbraw/zinc/63/23/66/1363632366.db2.gz IYEWLUUWYRAPTL-ZWKOTPCHSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251927 1363714524 /nfs/dbraw/zinc/71/45/24/1363714524.db2.gz PBLISDGEECHUPF-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251927 1363714525 /nfs/dbraw/zinc/71/45/25/1363714525.db2.gz PBLISDGEECHUPF-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263698 1363721686 /nfs/dbraw/zinc/72/16/86/1363721686.db2.gz IMKFIZCPTNNINP-SJLPKXTDSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099263698 1363721688 /nfs/dbraw/zinc/72/16/88/1363721688.db2.gz IMKFIZCPTNNINP-SJLPKXTDSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099263698 1363721691 /nfs/dbraw/zinc/72/16/91/1363721691.db2.gz IMKFIZCPTNNINP-SJLPKXTDSA-N 2 2 348.535 3.385 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099263698 1363721694 /nfs/dbraw/zinc/72/16/94/1363721694.db2.gz IMKFIZCPTNNINP-SJLPKXTDSA-N 2 2 348.535 3.385 20 0 EGADLP CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C(F)(F)F ZINC001099283724 1363731627 /nfs/dbraw/zinc/73/16/27/1363731627.db2.gz JDNQTTXMSQHHRI-ZIAGYGMSSA-N 2 2 343.393 3.009 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001100500695 1364137704 /nfs/dbraw/zinc/13/77/04/1364137704.db2.gz WRSCUWKIZCURBR-KLAILNCOSA-N 2 2 342.487 3.115 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001101063763 1364397535 /nfs/dbraw/zinc/39/75/35/1364397535.db2.gz OYQFSNJWNOEWOX-UHFFFAOYSA-N 2 2 344.503 3.038 20 0 EGADLP CCC[NH2+]CC(C)(C)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001101555753 1364617032 /nfs/dbraw/zinc/61/70/32/1364617032.db2.gz GRBOFVORBSXHMG-UHFFFAOYSA-N 2 2 342.487 3.212 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454882 1365064704 /nfs/dbraw/zinc/06/47/04/1365064704.db2.gz XADYVCIBISINSO-FRQXZCBTSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454882 1365064708 /nfs/dbraw/zinc/06/47/08/1365064708.db2.gz XADYVCIBISINSO-FRQXZCBTSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454882 1365064713 /nfs/dbraw/zinc/06/47/13/1365064713.db2.gz XADYVCIBISINSO-FRQXZCBTSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454882 1365064717 /nfs/dbraw/zinc/06/47/17/1365064717.db2.gz XADYVCIBISINSO-FRQXZCBTSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104132979 1365921498 /nfs/dbraw/zinc/92/14/98/1365921498.db2.gz KPLRJDQJOGBEOJ-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874390 1366821147 /nfs/dbraw/zinc/82/11/47/1366821147.db2.gz GGXKYBKAPUCFSY-GVDBMIGSSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321485 1367476420 /nfs/dbraw/zinc/47/64/20/1367476420.db2.gz VTLJMSJHMYUHNB-DLBZAZTESA-N 2 2 342.487 3.163 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321485 1367476424 /nfs/dbraw/zinc/47/64/24/1367476424.db2.gz VTLJMSJHMYUHNB-DLBZAZTESA-N 2 2 342.487 3.163 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC001191390527 1367490956 /nfs/dbraw/zinc/49/09/56/1367490956.db2.gz LWCUKNRYDQJPJF-OAQYLSRUSA-N 2 2 345.531 3.088 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC001191390527 1367490958 /nfs/dbraw/zinc/49/09/58/1367490958.db2.gz LWCUKNRYDQJPJF-OAQYLSRUSA-N 2 2 345.531 3.088 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711673 1367549610 /nfs/dbraw/zinc/54/96/10/1367549610.db2.gz OJVISDWGOQNHPY-UAGQMJEPSA-N 2 2 340.471 3.336 20 0 EGADLP C[N@H+](CCC1=CCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448743 1368264185 /nfs/dbraw/zinc/26/41/85/1368264185.db2.gz LEJYHMCHEPKGIX-IBGZPJMESA-N 2 2 344.503 3.087 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448743 1368264189 /nfs/dbraw/zinc/26/41/89/1368264189.db2.gz LEJYHMCHEPKGIX-IBGZPJMESA-N 2 2 344.503 3.087 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[N@@H+](CCCC(C)C)CC3)ccn12 ZINC001195846311 1368503318 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EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001199608851 1369244105 /nfs/dbraw/zinc/24/41/05/1369244105.db2.gz NLYNDLFYEWBIRW-HNNXBMFYSA-N 2 2 331.851 3.389 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC([NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001201183273 1369492453 /nfs/dbraw/zinc/49/24/53/1369492453.db2.gz YBNVXPZUKRKEOB-SFHVURJKSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)CC[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201629975 1369593719 /nfs/dbraw/zinc/59/37/19/1369593719.db2.gz HGTIAWCVVLRNMT-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)CC[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201629975 1369593724 /nfs/dbraw/zinc/59/37/24/1369593724.db2.gz HGTIAWCVVLRNMT-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP CSCCC[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001201697032 1369608021 /nfs/dbraw/zinc/60/80/21/1369608021.db2.gz WJKGADNTUHLEDT-UHFFFAOYSA-N 2 2 340.290 3.249 20 0 EGADLP Cc1ncc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cn1 ZINC001203111618 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CEXXABPSNVWWPW-GOSISDBHSA-N 2 2 326.488 3.234 20 0 EGADLP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813117 1370273800 /nfs/dbraw/zinc/27/38/00/1370273800.db2.gz AYMFURYXPCIJNS-ZWKOTPCHSA-N 2 2 346.519 3.261 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813867 1370274476 /nfs/dbraw/zinc/27/44/76/1370274476.db2.gz FQNXSZNFPFKWFD-GUDHTMSVSA-N 2 2 344.503 3.037 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001203841890 1370286682 /nfs/dbraw/zinc/28/66/82/1370286682.db2.gz YHWHKCQCIFSYGA-MRXNPFEDSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001203841890 1370286687 /nfs/dbraw/zinc/28/66/87/1370286687.db2.gz YHWHKCQCIFSYGA-MRXNPFEDSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203955567 1370329535 /nfs/dbraw/zinc/32/95/35/1370329535.db2.gz IBFTUFMWEBGHAB-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203955567 1370329540 /nfs/dbraw/zinc/32/95/40/1370329540.db2.gz IBFTUFMWEBGHAB-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203955567 1370329544 /nfs/dbraw/zinc/32/95/44/1370329544.db2.gz IBFTUFMWEBGHAB-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001203955567 1370329548 /nfs/dbraw/zinc/32/95/48/1370329548.db2.gz IBFTUFMWEBGHAB-PZJWPPBQSA-N 2 2 344.499 3.018 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204088600 1370373745 /nfs/dbraw/zinc/37/37/45/1370373745.db2.gz RIQAZCSVFDXPJM-IBGZPJMESA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204088600 1370373751 /nfs/dbraw/zinc/37/37/51/1370373751.db2.gz RIQAZCSVFDXPJM-IBGZPJMESA-N 2 2 339.483 3.310 20 0 EGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741910 1370562107 /nfs/dbraw/zinc/56/21/07/1370562107.db2.gz FKDQCKZUMRTHOD-UHFFFAOYSA-N 3 2 344.890 3.491 20 0 EGADLP Clc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741910 1370562108 /nfs/dbraw/zinc/56/21/08/1370562108.db2.gz FKDQCKZUMRTHOD-UHFFFAOYSA-N 3 2 344.890 3.491 20 0 EGADLP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001204782453 1370575249 /nfs/dbraw/zinc/57/52/49/1370575249.db2.gz DWTZMFQITGVIKK-KRWDZBQOSA-N 2 2 346.272 3.434 20 0 EGADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001204782453 1370575252 /nfs/dbraw/zinc/57/52/52/1370575252.db2.gz DWTZMFQITGVIKK-KRWDZBQOSA-N 2 2 346.272 3.434 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(OC)c2)C1 ZINC001205015705 1370629044 /nfs/dbraw/zinc/62/90/44/1370629044.db2.gz DACMNBAWKLZONE-ZDUSSCGKSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(OC)c2)C1 ZINC001205015705 1370629049 /nfs/dbraw/zinc/62/90/49/1370629049.db2.gz DACMNBAWKLZONE-ZDUSSCGKSA-N 2 2 332.366 3.025 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2c(Cl)ccc(Br)c2F)CC1 ZINC001205040773 1370636315 /nfs/dbraw/zinc/63/63/15/1370636315.db2.gz IGRBGGZRLCMYIU-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2cc(F)c(Br)cc2Cl)CC1 ZINC001205041520 1370636272 /nfs/dbraw/zinc/63/62/72/1370636272.db2.gz VZZNDFGTERCUMT-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1Br ZINC001205116748 1370654941 /nfs/dbraw/zinc/65/49/41/1370654941.db2.gz HPJUXPYYPCCQHO-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1Br ZINC001205116748 1370654946 /nfs/dbraw/zinc/65/49/46/1370654946.db2.gz HPJUXPYYPCCQHO-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP [NH3+][C@@H]1CCC[N@H+](Cc2nc3ccccc3cc2Br)CC1 ZINC001205117911 1370655893 /nfs/dbraw/zinc/65/58/93/1370655893.db2.gz YUTUJUPKIHOIAM-CYBMUJFWSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@@H]1CCC[N@@H+](Cc2nc3ccccc3cc2Br)CC1 ZINC001205117911 1370655897 /nfs/dbraw/zinc/65/58/97/1370655897.db2.gz YUTUJUPKIHOIAM-CYBMUJFWSA-N 2 2 334.261 3.311 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205267000 1370700664 /nfs/dbraw/zinc/70/06/64/1370700664.db2.gz ZPYDMCXOQVVNEP-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1Br ZINC001205267000 1370700666 /nfs/dbraw/zinc/70/06/66/1370700666.db2.gz ZPYDMCXOQVVNEP-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@]1([NH3+])CCC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)CC1 ZINC001205273012 1370702725 /nfs/dbraw/zinc/70/27/25/1370702725.db2.gz CEVHIHCUVRIQEN-INIZCTEOSA-N 2 2 342.940 3.490 20 0 EGADLP C[C@]1([NH3+])CCC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)CC1 ZINC001205273012 1370702735 /nfs/dbraw/zinc/70/27/35/1370702735.db2.gz CEVHIHCUVRIQEN-INIZCTEOSA-N 2 2 342.940 3.490 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205295550 1370710324 /nfs/dbraw/zinc/71/03/24/1370710324.db2.gz ABSYZRBCMFZCQF-MRXNPFEDSA-N 2 2 341.293 3.469 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205295550 1370710329 /nfs/dbraw/zinc/71/03/29/1370710329.db2.gz ABSYZRBCMFZCQF-MRXNPFEDSA-N 2 2 341.293 3.469 20 0 EGADLP C[C@H]1CC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@H]1C[NH3+] ZINC001205306567 1370715125 /nfs/dbraw/zinc/71/51/25/1370715125.db2.gz XREQJBKWKDDKTA-QWHCGFSZSA-N 2 2 342.940 3.204 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@H]1C[NH3+] ZINC001205306567 1370715129 /nfs/dbraw/zinc/71/51/29/1370715129.db2.gz XREQJBKWKDDKTA-QWHCGFSZSA-N 2 2 342.940 3.204 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752427 1370733915 /nfs/dbraw/zinc/73/39/15/1370733915.db2.gz BWFJUAKCKLUFSU-KRWDZBQOSA-N 2 2 334.508 3.289 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765898 1370750290 /nfs/dbraw/zinc/75/02/90/1370750290.db2.gz KYCGXIUISVVCFP-BDUNBXCCSA-N 2 2 346.519 3.353 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765898 1370750296 /nfs/dbraw/zinc/75/02/96/1370750296.db2.gz KYCGXIUISVVCFP-BDUNBXCCSA-N 2 2 346.519 3.353 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599190 1370805701 /nfs/dbraw/zinc/80/57/01/1370805701.db2.gz NKJZCMSVIVEATD-IBGZPJMESA-N 2 2 327.472 3.243 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599190 1370805704 /nfs/dbraw/zinc/80/57/04/1370805704.db2.gz NKJZCMSVIVEATD-IBGZPJMESA-N 2 2 327.472 3.243 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)[nH+]1 ZINC001116346492 1370890673 /nfs/dbraw/zinc/89/06/73/1370890673.db2.gz VFSANLXLGAZNMR-KSZLIROESA-N 2 2 344.503 3.056 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)[nH+]1 ZINC001116346492 1370890678 /nfs/dbraw/zinc/89/06/78/1370890678.db2.gz VFSANLXLGAZNMR-KSZLIROESA-N 2 2 344.503 3.056 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205854386 1370892505 /nfs/dbraw/zinc/89/25/05/1370892505.db2.gz KJAZBJURMHJDCM-QAPCUYQASA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205854386 1370892511 /nfs/dbraw/zinc/89/25/11/1370892511.db2.gz KJAZBJURMHJDCM-QAPCUYQASA-N 2 2 325.456 3.316 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1F ZINC001206189537 1370987898 /nfs/dbraw/zinc/98/78/98/1370987898.db2.gz XEDZFFYMONLFTQ-CHWSQXEVSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Cl)CC[C@H]1F ZINC001206189537 1370987900 /nfs/dbraw/zinc/98/79/00/1370987900.db2.gz XEDZFFYMONLFTQ-CHWSQXEVSA-N 2 2 340.748 3.500 20 0 EGADLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001206269357 1371009234 /nfs/dbraw/zinc/00/92/34/1371009234.db2.gz KNVRYOGRQWPGNA-INIZCTEOSA-N 2 2 328.431 3.446 20 0 EGADLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001206269357 1371009237 /nfs/dbraw/zinc/00/92/37/1371009237.db2.gz KNVRYOGRQWPGNA-INIZCTEOSA-N 2 2 328.431 3.446 20 0 EGADLP CS[C@H]1CC[C@@H]([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133974 1371013932 /nfs/dbraw/zinc/01/39/32/1371013932.db2.gz RYVNAMXLWKMJOT-UXHICEINSA-N 2 2 347.572 3.415 20 0 EGADLP CS[C@H]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133974 1371013935 /nfs/dbraw/zinc/01/39/35/1371013935.db2.gz RYVNAMXLWKMJOT-UXHICEINSA-N 2 2 347.572 3.415 20 0 EGADLP [NH3+]C[C@]1(F)CCCCN(Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001206369336 1371035779 /nfs/dbraw/zinc/03/57/79/1371035779.db2.gz BZHYWMGMZWYOLA-QGZVFWFLSA-N 2 2 336.842 3.179 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206380660 1371039454 /nfs/dbraw/zinc/03/94/54/1371039454.db2.gz RIMXQNYWZSAYCN-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206380660 1371039460 /nfs/dbraw/zinc/03/94/60/1371039460.db2.gz RIMXQNYWZSAYCN-FQEVSTJZSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206380661 1371039583 /nfs/dbraw/zinc/03/95/83/1371039583.db2.gz RIMXQNYWZSAYCN-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP COc1ccc(-c2ccncc2)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206380661 1371039588 /nfs/dbraw/zinc/03/95/88/1371039588.db2.gz RIMXQNYWZSAYCN-HXUWFJFHSA-N 2 2 343.446 3.410 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1O ZINC001206574738 1371097826 /nfs/dbraw/zinc/09/78/26/1371097826.db2.gz UMUYUVCBGYFONM-INIZCTEOSA-N 2 2 341.293 3.414 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1O ZINC001206574738 1371097831 /nfs/dbraw/zinc/09/78/31/1371097831.db2.gz UMUYUVCBGYFONM-INIZCTEOSA-N 2 2 341.293 3.414 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206738219 1371149629 /nfs/dbraw/zinc/14/96/29/1371149629.db2.gz YLGRFHZJGTVKRQ-UHFFFAOYSA-N 2 2 326.444 3.032 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206769030 1371158454 /nfs/dbraw/zinc/15/84/54/1371158454.db2.gz MQOWIXHJQHFGKH-AAEUAGOBSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206769030 1371158457 /nfs/dbraw/zinc/15/84/57/1371158457.db2.gz MQOWIXHJQHFGKH-AAEUAGOBSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc([C@H](CNC(=[NH2+])Nc2ccccc2C)[NH+](C)C)c1 ZINC001118350684 1371165929 /nfs/dbraw/zinc/16/59/29/1371165929.db2.gz QBEGBGJXIFSJQR-SFHVURJKSA-N 2 2 326.444 3.243 20 0 EGADLP Cc1ncsc1C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001206862092 1371192800 /nfs/dbraw/zinc/19/28/00/1371192800.db2.gz DVVGDRWZBSRYKK-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cncc(F)c3)CC2)c2ccccc2[nH+]1 ZINC001207016621 1371268366 /nfs/dbraw/zinc/26/83/66/1371268366.db2.gz GAVYDQCBYBHYNW-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001207134888 1371305905 /nfs/dbraw/zinc/30/59/05/1371305905.db2.gz PKDHXDAPPAHISB-KDURUIRLSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1noc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001207134888 1371305906 /nfs/dbraw/zinc/30/59/06/1371305906.db2.gz PKDHXDAPPAHISB-KDURUIRLSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001207134888 1371305910 /nfs/dbraw/zinc/30/59/10/1371305910.db2.gz PKDHXDAPPAHISB-KDURUIRLSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001207134888 1371305912 /nfs/dbraw/zinc/30/59/12/1371305912.db2.gz PKDHXDAPPAHISB-KDURUIRLSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207138943 1371306949 /nfs/dbraw/zinc/30/69/49/1371306949.db2.gz HKKVSEJHUALJMJ-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207138943 1371306952 /nfs/dbraw/zinc/30/69/52/1371306952.db2.gz HKKVSEJHUALJMJ-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207138943 1371306954 /nfs/dbraw/zinc/30/69/54/1371306954.db2.gz HKKVSEJHUALJMJ-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207138943 1371306960 /nfs/dbraw/zinc/30/69/60/1371306960.db2.gz HKKVSEJHUALJMJ-RBUKOAKNSA-N 2 2 325.456 3.245 20 0 EGADLP c1cc(N2CC[NH+](CCC3CCCCC3)CC2)nc(N2CCCC2)[nH+]1 ZINC001207261231 1371343802 /nfs/dbraw/zinc/34/38/02/1371343802.db2.gz ONZRXULEDWPSFS-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCC1CCCCC1)C2 ZINC001207262095 1371344341 /nfs/dbraw/zinc/34/43/41/1371344341.db2.gz KFHZBXAVWFXXIB-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCC1CCCCC1)C2 ZINC001207262095 1371344343 /nfs/dbraw/zinc/34/43/43/1371344343.db2.gz KFHZBXAVWFXXIB-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCC1CCCCC1)C2 ZINC001207262095 1371344350 /nfs/dbraw/zinc/34/43/50/1371344350.db2.gz KFHZBXAVWFXXIB-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCC1CCCCC1)C2 ZINC001207262095 1371344353 /nfs/dbraw/zinc/34/43/53/1371344353.db2.gz KFHZBXAVWFXXIB-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001207278953 1371348610 /nfs/dbraw/zinc/34/86/10/1371348610.db2.gz HNNGNSBVHPBGGK-LJQANCHMSA-N 2 2 339.524 3.050 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001207278953 1371348615 /nfs/dbraw/zinc/34/86/15/1371348615.db2.gz HNNGNSBVHPBGGK-LJQANCHMSA-N 2 2 339.524 3.050 20 0 EGADLP FC1(F)CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001207345286 1371366743 /nfs/dbraw/zinc/36/67/43/1371366743.db2.gz CPGNBTWXIKZOPX-HDICACEKSA-N 2 2 335.442 3.271 20 0 EGADLP FC1(F)CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001207345286 1371366746 /nfs/dbraw/zinc/36/67/46/1371366746.db2.gz CPGNBTWXIKZOPX-HDICACEKSA-N 2 2 335.442 3.271 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001207345286 1371366750 /nfs/dbraw/zinc/36/67/50/1371366750.db2.gz CPGNBTWXIKZOPX-HDICACEKSA-N 2 2 335.442 3.271 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001207345286 1371366754 /nfs/dbraw/zinc/36/67/54/1371366754.db2.gz CPGNBTWXIKZOPX-HDICACEKSA-N 2 2 335.442 3.271 20 0 EGADLP CC1CC(C[NH2+]C2(CNC(=O)CCCn3cc[nH+]c3)CCCCC2)C1 ZINC001120239978 1371511603 /nfs/dbraw/zinc/51/16/03/1371511603.db2.gz JZCYCDHWSPAKPJ-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001207834469 1371515455 /nfs/dbraw/zinc/51/54/55/1371515455.db2.gz VLHYJFPGNFLXLL-WOJBJXKFSA-N 2 2 333.479 3.177 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176264 1371619152 /nfs/dbraw/zinc/61/91/52/1371619152.db2.gz PZWCGMRAMXQXEH-GFOJFJKKSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176264 1371619155 /nfs/dbraw/zinc/61/91/55/1371619155.db2.gz PZWCGMRAMXQXEH-GFOJFJKKSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176264 1371619160 /nfs/dbraw/zinc/61/91/60/1371619160.db2.gz PZWCGMRAMXQXEH-GFOJFJKKSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001208176264 1371619165 /nfs/dbraw/zinc/61/91/65/1371619165.db2.gz PZWCGMRAMXQXEH-GFOJFJKKSA-N 2 2 342.531 3.166 20 0 EGADLP C[NH+](C)CC1(C[NH+]2CCN(c3noc4ccccc43)CC2)CCCC1 ZINC001208182429 1371624559 /nfs/dbraw/zinc/62/45/59/1371624559.db2.gz SJUQGOVFWHWPLN-UHFFFAOYSA-N 2 2 342.487 3.072 20 0 EGADLP CCN(CC[N@H+](C(C)C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001208578375 1371825805 /nfs/dbraw/zinc/82/58/05/1371825805.db2.gz VTMURMAWNYORGG-UHFFFAOYSA-N 2 2 327.513 3.048 20 0 EGADLP CCN(CC[N@@H+](C(C)C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001208578375 1371825808 /nfs/dbraw/zinc/82/58/08/1371825808.db2.gz VTMURMAWNYORGG-UHFFFAOYSA-N 2 2 327.513 3.048 20 0 EGADLP COCCCCC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648204 1371851754 /nfs/dbraw/zinc/85/17/54/1371851754.db2.gz GOCOGNYJDSIEEO-GOSISDBHSA-N 2 2 347.503 3.018 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001326368372 1388167939 /nfs/dbraw/zinc/16/79/39/1388167939.db2.gz BKDKEWPFJHPOCO-QZTJIDSGSA-N 2 2 338.455 3.342 20 0 EGADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001208895960 1371936183 /nfs/dbraw/zinc/93/61/83/1371936183.db2.gz BDRYBNXZZHFHDX-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CC3(C)CCCCC3)C2)C1 ZINC001208895960 1371936186 /nfs/dbraw/zinc/93/61/86/1371936186.db2.gz BDRYBNXZZHFHDX-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CC3(C)CCCCC3)C2)C1 ZINC001208895960 1371936190 /nfs/dbraw/zinc/93/61/90/1371936190.db2.gz BDRYBNXZZHFHDX-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CC3(C)CCCCC3)C2)C1 ZINC001208895960 1371936192 /nfs/dbraw/zinc/93/61/92/1371936192.db2.gz BDRYBNXZZHFHDX-HXUWFJFHSA-N 2 2 338.536 3.018 20 0 EGADLP C[C@H](CC(=O)NC1CC2(C1)CC([NH2+]CCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001121847725 1372100984 /nfs/dbraw/zinc/10/09/84/1372100984.db2.gz DUAKTUSDLOWMOQ-UEBDJUODSA-N 2 2 346.519 3.287 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001209452737 1372110253 /nfs/dbraw/zinc/11/02/53/1372110253.db2.gz TYHZIQBLOTUHGT-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001209452737 1372110256 /nfs/dbraw/zinc/11/02/56/1372110256.db2.gz TYHZIQBLOTUHGT-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP Cc1nc2ccccn2c1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209650858 1372161513 /nfs/dbraw/zinc/16/15/13/1372161513.db2.gz KFYPSWRUFOYSTH-UHFFFAOYSA-N 2 2 331.423 3.460 20 0 EGADLP Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209650858 1372161516 /nfs/dbraw/zinc/16/15/16/1372161516.db2.gz KFYPSWRUFOYSTH-UHFFFAOYSA-N 2 2 331.423 3.460 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001209865769 1372217222 /nfs/dbraw/zinc/21/72/22/1372217222.db2.gz JPWGFOUNBPLBGR-FDICQLOXSA-N 2 2 332.492 3.161 20 0 EGADLP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122284683 1372221426 /nfs/dbraw/zinc/22/14/26/1372221426.db2.gz BETCCICTVFUCTA-ARJAWSKDSA-N 2 2 344.503 3.037 20 0 EGADLP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122285061 1372221829 /nfs/dbraw/zinc/22/18/29/1372221829.db2.gz MYBCZLONUDBAAK-UHFFFAOYSA-N 2 2 346.519 3.117 20 0 EGADLP c1ccc(-c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc[nH+]2)cc1 ZINC001210262523 1372308548 /nfs/dbraw/zinc/30/85/48/1372308548.db2.gz KDQCVPUMEMCZOU-UHFFFAOYSA-N 3 2 331.423 3.297 20 0 EGADLP c1ccc(-c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ccn2)cc1 ZINC001210262523 1372308552 /nfs/dbraw/zinc/30/85/52/1372308552.db2.gz KDQCVPUMEMCZOU-UHFFFAOYSA-N 2 2 331.423 3.297 20 0 EGADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001210667206 1372402991 /nfs/dbraw/zinc/40/29/91/1372402991.db2.gz CXMQPSXTPYDQOM-QGZVFWFLSA-N 2 2 346.519 3.238 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2ncccc2N2CC[NH+](C)CC2)cc1 ZINC001212970105 1372807977 /nfs/dbraw/zinc/80/79/77/1372807977.db2.gz WOEIEHFBFOBDEF-UHFFFAOYSA-N 2 2 339.487 3.423 20 0 EGADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1cccc2cc[nH+]cc21 ZINC001213896236 1372976597 /nfs/dbraw/zinc/97/65/97/1372976597.db2.gz PPRNUJLTAMGABA-UHFFFAOYSA-N 2 2 334.423 3.397 20 0 EGADLP CCc1ccc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)cc1 ZINC001214674516 1373100445 /nfs/dbraw/zinc/10/04/45/1373100445.db2.gz XUAQGJQTDRQMHL-UHFFFAOYSA-N 2 2 349.438 3.113 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC/C=C/c3ccccc3)ccn12 ZINC001127292962 1373113345 /nfs/dbraw/zinc/11/33/45/1373113345.db2.gz PMOXKMMPLKREHM-WEVVVXLNSA-N 2 2 348.450 3.066 20 0 EGADLP CC(C)C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001214916227 1373141408 /nfs/dbraw/zinc/14/14/08/1373141408.db2.gz BGSBPTBFABLPGY-QRQLOZEOSA-N 2 2 346.519 3.097 20 0 EGADLP CC(C)c1ccc(-c2nnc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217706385 1373491767 /nfs/dbraw/zinc/49/17/67/1373491767.db2.gz SLLGSMWRBNYZEP-MRXNPFEDSA-N 2 2 326.444 3.407 20 0 EGADLP CCCCCCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001218838287 1373659861 /nfs/dbraw/zinc/65/98/61/1373659861.db2.gz RSHUWWIDTSPTNM-SFHVURJKSA-N 2 2 328.460 3.051 20 0 EGADLP CCc1ccccc1CC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560388 1373721286 /nfs/dbraw/zinc/72/12/86/1373721286.db2.gz LFBOTJCCUZSHEH-UHFFFAOYSA-N 2 2 339.483 3.131 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC2CCC(F)(F)CC2)c(C)[nH+]1 ZINC001131560675 1373721525 /nfs/dbraw/zinc/72/15/25/1373721525.db2.gz YSGYLMCDRWWKLG-UHFFFAOYSA-N 2 2 339.430 3.152 20 0 EGADLP CC(C)C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1ccccc1 ZINC001220031467 1373746970 /nfs/dbraw/zinc/74/69/70/1373746970.db2.gz WCKZRMRUQNUOHP-MOPGFXCFSA-N 2 2 325.456 3.162 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041406 1375113210 /nfs/dbraw/zinc/11/32/10/1375113210.db2.gz DKZCLVZGBFPDDT-YJBOKZPZSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132041406 1375113213 /nfs/dbraw/zinc/11/32/13/1375113213.db2.gz DKZCLVZGBFPDDT-YJBOKZPZSA-N 2 2 342.487 3.416 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132089955 1375140146 /nfs/dbraw/zinc/14/01/46/1375140146.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132089955 1375140149 /nfs/dbraw/zinc/14/01/49/1375140149.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132089955 1375140152 /nfs/dbraw/zinc/14/01/52/1375140152.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132089955 1375140154 /nfs/dbraw/zinc/14/01/54/1375140154.db2.gz BDRLUZRBHIPWKS-OZZQIWQLSA-N 2 2 332.492 3.058 20 0 EGADLP CC1CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001226686631 1375308912 /nfs/dbraw/zinc/30/89/12/1375308912.db2.gz FUQVMBAPTZEMQF-LRMJVLKBSA-N 2 2 346.519 3.186 20 0 EGADLP CC1CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001226686631 1375308917 /nfs/dbraw/zinc/30/89/17/1375308917.db2.gz FUQVMBAPTZEMQF-LRMJVLKBSA-N 2 2 346.519 3.186 20 0 EGADLP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073769 1375384808 /nfs/dbraw/zinc/38/48/08/1375384808.db2.gz QJKIQELYEVMOOS-IAOVAPTHSA-N 2 2 328.460 3.240 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC1CCC1 ZINC001132545551 1375452630 /nfs/dbraw/zinc/45/26/30/1375452630.db2.gz CGFKYSOOFKRWEP-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC1CCC1 ZINC001132545551 1375452632 /nfs/dbraw/zinc/45/26/32/1375452632.db2.gz CGFKYSOOFKRWEP-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919273 1375643482 /nfs/dbraw/zinc/64/34/82/1375643482.db2.gz HKQZVEKXKSEXSV-RDJZCZTQSA-N 2 2 342.487 3.297 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001132991911 1375698189 /nfs/dbraw/zinc/69/81/89/1375698189.db2.gz BCTZSCFGHVCPAV-AUUYWEPGSA-N 2 2 343.515 3.495 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001133001638 1375704176 /nfs/dbraw/zinc/70/41/76/1375704176.db2.gz DIYSPDVFTBEFDX-RDTXWAMCSA-N 2 2 331.504 3.351 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001229558798 1375854520 /nfs/dbraw/zinc/85/45/20/1375854520.db2.gz HGUYPGGAMQAQQS-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001229558798 1375854526 /nfs/dbraw/zinc/85/45/26/1375854526.db2.gz HGUYPGGAMQAQQS-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001229559568 1375854840 /nfs/dbraw/zinc/85/48/40/1375854840.db2.gz YSKLYGNWNHCUKE-MRXNPFEDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001229559568 1375854843 /nfs/dbraw/zinc/85/48/43/1375854843.db2.gz YSKLYGNWNHCUKE-MRXNPFEDSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001133398210 1375981520 /nfs/dbraw/zinc/98/15/20/1375981520.db2.gz KDNCXTHOXADSLB-UHFFFAOYSA-N 2 2 348.878 3.023 20 0 EGADLP CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001133398210 1375981525 /nfs/dbraw/zinc/98/15/25/1375981525.db2.gz KDNCXTHOXADSLB-UHFFFAOYSA-N 2 2 348.878 3.023 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552337 1376073967 /nfs/dbraw/zinc/07/39/67/1376073967.db2.gz NDXSVZMPTLNLSZ-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001230552337 1376073983 /nfs/dbraw/zinc/07/39/83/1376073983.db2.gz NDXSVZMPTLNLSZ-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c[nH]nc5c4)C[C@H]3C2)c1 ZINC001231907431 1376344970 /nfs/dbraw/zinc/34/49/70/1376344970.db2.gz MMGUVMDRIAVRJC-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c[nH]nc5c4)C[C@H]3C2)c1 ZINC001231907431 1376344973 /nfs/dbraw/zinc/34/49/73/1376344973.db2.gz MMGUVMDRIAVRJC-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c[nH]nc5c4)C[C@H]3C2)c1 ZINC001231907431 1376344983 /nfs/dbraw/zinc/34/49/83/1376344983.db2.gz MMGUVMDRIAVRJC-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c[nH]nc5c4)C[C@H]3C2)c1 ZINC001231907431 1376344988 /nfs/dbraw/zinc/34/49/88/1376344988.db2.gz MMGUVMDRIAVRJC-CALCHBBNSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)c1 ZINC001232013090 1376382174 /nfs/dbraw/zinc/38/21/74/1376382174.db2.gz XTARYKCCIPMIMV-HZPDHXFCSA-N 3 2 338.480 3.188 20 0 EGADLP c1c2c[nH+]ccc2[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232014567 1376384416 /nfs/dbraw/zinc/38/44/16/1376384416.db2.gz QTSBJRBIQIQKBA-OALUTQOASA-N 3 2 332.451 3.127 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1Cl)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134230394 1376424900 /nfs/dbraw/zinc/42/49/00/1376424900.db2.gz XJCBMUXHOSAVJJ-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP CCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369240 1376496476 /nfs/dbraw/zinc/49/64/76/1376496476.db2.gz IXWTZDSFLALQMB-HUUCEWRRSA-N 2 2 330.476 3.319 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403455 1376512477 /nfs/dbraw/zinc/51/24/77/1376512477.db2.gz NLRPIQPCFBRLMR-CVEARBPZSA-N 2 2 348.535 3.071 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cc(C)ns2)CC1 ZINC001233313455 1376610299 /nfs/dbraw/zinc/61/02/99/1376610299.db2.gz WYUBVUCSQGVJJJ-UHFFFAOYSA-N 2 2 338.565 3.081 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001233364071 1376629948 /nfs/dbraw/zinc/62/99/48/1376629948.db2.gz OQYTVHGCJRSSGG-QUCCMNQESA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2c(cccc2CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001233364071 1376629952 /nfs/dbraw/zinc/62/99/52/1376629952.db2.gz OQYTVHGCJRSSGG-QUCCMNQESA-N 2 2 332.451 3.041 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccsc2)c[nH+]1 ZINC001134729940 1376682339 /nfs/dbraw/zinc/68/23/39/1376682339.db2.gz QAFZVPXIWUOCGL-KGLIPLIRSA-N 2 2 348.516 3.061 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134737028 1376687714 /nfs/dbraw/zinc/68/77/14/1376687714.db2.gz MTEKCZZWDWAAOL-GJZGRUSLSA-N 2 2 336.439 3.250 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741277 1376691175 /nfs/dbraw/zinc/69/11/75/1376691175.db2.gz WIZGWVLAWUHFKK-UONOGXRCSA-N 2 2 342.487 3.486 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134971406 1376819591 /nfs/dbraw/zinc/81/95/91/1376819591.db2.gz XLNNFYDSIMUNOD-LSDHHAIUSA-N 2 2 330.476 3.257 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CC1OC=CC1=S)CC2 ZINC001235018854 1376828012 /nfs/dbraw/zinc/82/80/12/1376828012.db2.gz JCGDPGJOSDINNV-UHFFFAOYSA-N 2 2 344.480 3.214 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CC1OC=CC1=S)CC2 ZINC001235018854 1376828014 /nfs/dbraw/zinc/82/80/14/1376828014.db2.gz JCGDPGJOSDINNV-UHFFFAOYSA-N 2 2 344.480 3.214 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235032995 1376832507 /nfs/dbraw/zinc/83/25/07/1376832507.db2.gz NRCCPMQBBMHDSV-CQSZACIVSA-N 2 2 334.769 3.424 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235032995 1376832518 /nfs/dbraw/zinc/83/25/18/1376832518.db2.gz NRCCPMQBBMHDSV-CQSZACIVSA-N 2 2 334.769 3.424 20 0 EGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC001235115887 1376848368 /nfs/dbraw/zinc/84/83/68/1376848368.db2.gz SHJNXUDOOWADED-QGZVFWFLSA-N 2 2 342.405 3.092 20 0 EGADLP FC(F)(F)c1cccc(CCC[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC001235115887 1376848373 /nfs/dbraw/zinc/84/83/73/1376848373.db2.gz SHJNXUDOOWADED-QGZVFWFLSA-N 2 2 342.405 3.092 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1C(C)C ZINC001235121926 1376851890 /nfs/dbraw/zinc/85/18/90/1376851890.db2.gz WPCQVBJAOPNETH-FQEVSTJZSA-N 2 2 332.488 3.081 20 0 EGADLP COc1cc(C)c(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1C(C)C ZINC001235121926 1376851897 /nfs/dbraw/zinc/85/18/97/1376851897.db2.gz WPCQVBJAOPNETH-FQEVSTJZSA-N 2 2 332.488 3.081 20 0 EGADLP c1cc(-c2cccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235122814 1376852888 /nfs/dbraw/zinc/85/28/88/1376852888.db2.gz ZJOBAGBFJIRBLT-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP c1cc(-c2cccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235122814 1376852891 /nfs/dbraw/zinc/85/28/91/1376852891.db2.gz ZJOBAGBFJIRBLT-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP COCC[N@H+](Cc1cc(Cl)c(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235945836 1376922284 /nfs/dbraw/zinc/92/22/84/1376922284.db2.gz XHDDEQIHUAYKRC-UHFFFAOYSA-N 2 2 335.250 3.333 20 0 EGADLP COCC[N@@H+](Cc1cc(Cl)c(F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235945836 1376922286 /nfs/dbraw/zinc/92/22/86/1376922286.db2.gz XHDDEQIHUAYKRC-UHFFFAOYSA-N 2 2 335.250 3.333 20 0 EGADLP CC(C)Oc1ccccc1OC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235970074 1376924694 /nfs/dbraw/zinc/92/46/94/1376924694.db2.gz YNNUBHJMYMJLFT-KRWDZBQOSA-N 2 2 348.487 3.042 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001236171931 1376937777 /nfs/dbraw/zinc/93/77/77/1376937777.db2.gz WDOOSQNOWWOLBK-ZDUSSCGKSA-N 2 2 332.245 3.044 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001236171931 1376937782 /nfs/dbraw/zinc/93/77/82/1376937782.db2.gz WDOOSQNOWWOLBK-ZDUSSCGKSA-N 2 2 332.245 3.044 20 0 EGADLP Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC001253838914 1377102159 /nfs/dbraw/zinc/10/21/59/1377102159.db2.gz LOGSGUQXDJKFIO-PZJWPPBQSA-N 2 2 342.483 3.017 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+]CCn1cc[nH+]c1)C2 ZINC001257788063 1377114314 /nfs/dbraw/zinc/11/43/14/1377114314.db2.gz KFIJLLYYMZKHTQ-APWZRJJASA-N 2 2 348.491 3.043 20 0 EGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+]C2CCC3(COC3)CC2)cc1 ZINC001257901020 1377115364 /nfs/dbraw/zinc/11/53/64/1377115364.db2.gz UIVOCXCZNYDNPV-FQEVSTJZSA-N 2 2 328.500 3.242 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001136031287 1377305496 /nfs/dbraw/zinc/30/54/96/1377305496.db2.gz IJEZZJASWPJVOM-GJZGRUSLSA-N 2 2 334.508 3.104 20 0 EGADLP Cc1ccn2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cnc2c1 ZINC001136890152 1377435977 /nfs/dbraw/zinc/43/59/77/1377435977.db2.gz RCIPAEVHNBFDOJ-WOJBJXKFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)c[nH]c2c1 ZINC001136971631 1377447980 /nfs/dbraw/zinc/44/79/80/1377447980.db2.gz JYAXXAMRDKZWHV-UHFFFAOYSA-N 2 2 326.444 3.106 20 0 EGADLP CC(C)Oc1ccccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001137137898 1377483999 /nfs/dbraw/zinc/48/39/99/1377483999.db2.gz KQIGBUYVPWUYQN-UHFFFAOYSA-N 2 2 331.460 3.104 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC4(CCC[N@@H+]4CC4CC4)CC3)n2c1 ZINC001137306363 1377514019 /nfs/dbraw/zinc/51/40/19/1377514019.db2.gz QZMSTYYXMUUSOM-UHFFFAOYSA-N 2 2 338.499 3.483 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CCC4(CCC[N@H+]4CC4CC4)CC3)n2c1 ZINC001137306363 1377514020 /nfs/dbraw/zinc/51/40/20/1377514020.db2.gz QZMSTYYXMUUSOM-UHFFFAOYSA-N 2 2 338.499 3.483 20 0 EGADLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc5ncccc45)C[C@H]3C2)nc1 ZINC001137626024 1377574776 /nfs/dbraw/zinc/57/47/76/1377574776.db2.gz YHLJCYCZGKLTFH-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc5ncccc45)C[C@H]3C2)nc1 ZINC001137626024 1377574778 /nfs/dbraw/zinc/57/47/78/1377574778.db2.gz YHLJCYCZGKLTFH-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc5ncccc45)C[C@H]3C2)nc1 ZINC001137626024 1377574779 /nfs/dbraw/zinc/57/47/79/1377574779.db2.gz YHLJCYCZGKLTFH-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc5ncccc45)C[C@H]3C2)nc1 ZINC001137626024 1377574781 /nfs/dbraw/zinc/57/47/81/1377574781.db2.gz YHLJCYCZGKLTFH-KDURUIRLSA-N 2 2 344.462 3.194 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3cccc(F)c3Br)C2)CC1 ZINC001137722262 1377605898 /nfs/dbraw/zinc/60/58/98/1377605898.db2.gz FIKWNLSLCUKNQI-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP CC(=O)Oc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001138044323 1377670356 /nfs/dbraw/zinc/67/03/56/1377670356.db2.gz RVODUXVEUFLCEO-UHFFFAOYSA-N 2 2 334.435 3.010 20 0 EGADLP C[N@@H+](Cc1cc(O)cc(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138331227 1377703653 /nfs/dbraw/zinc/70/36/53/1377703653.db2.gz RGFBEHYFUNXRKJ-KRWDZBQOSA-N 2 2 326.440 3.052 20 0 EGADLP C[N@H+](Cc1cc(O)cc(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138331227 1377703656 /nfs/dbraw/zinc/70/36/56/1377703656.db2.gz RGFBEHYFUNXRKJ-KRWDZBQOSA-N 2 2 326.440 3.052 20 0 EGADLP C[NH+](Cc1cc(O)cc(O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138331227 1377703660 /nfs/dbraw/zinc/70/36/60/1377703660.db2.gz RGFBEHYFUNXRKJ-KRWDZBQOSA-N 2 2 326.440 3.052 20 0 EGADLP C[NH+](Cc1cc(O)cc(O)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138331227 1377703663 /nfs/dbraw/zinc/70/36/63/1377703663.db2.gz RGFBEHYFUNXRKJ-KRWDZBQOSA-N 2 2 326.440 3.052 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568543 1377744481 /nfs/dbraw/zinc/74/44/81/1377744481.db2.gz XCOZSXBLZUJUPJ-FQEVSTJZSA-N 2 2 348.450 3.288 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC001138568543 1377744484 /nfs/dbraw/zinc/74/44/84/1377744484.db2.gz XCOZSXBLZUJUPJ-FQEVSTJZSA-N 2 2 348.450 3.288 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1C ZINC001138634799 1377758496 /nfs/dbraw/zinc/75/84/96/1377758496.db2.gz HXONWVQOCWATQX-QZTJIDSGSA-N 2 2 344.528 3.227 20 0 EGADLP CNc1ncccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001138693232 1377768826 /nfs/dbraw/zinc/76/88/26/1377768826.db2.gz PWNOKDSKNQICGO-NRFANRHFSA-N 2 2 336.483 3.221 20 0 EGADLP CNc1ncccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001138693232 1377768827 /nfs/dbraw/zinc/76/88/27/1377768827.db2.gz PWNOKDSKNQICGO-NRFANRHFSA-N 2 2 336.483 3.221 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001138693232 1377768829 /nfs/dbraw/zinc/76/88/29/1377768829.db2.gz PWNOKDSKNQICGO-NRFANRHFSA-N 2 2 336.483 3.221 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001138693232 1377768832 /nfs/dbraw/zinc/76/88/32/1377768832.db2.gz PWNOKDSKNQICGO-NRFANRHFSA-N 2 2 336.483 3.221 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5ccnn54)C[C@H]3C2)cc1 ZINC001138805200 1377787882 /nfs/dbraw/zinc/78/78/82/1377787882.db2.gz IDYFXRBGLHIFMO-WOJBJXKFSA-N 2 2 346.478 3.207 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138990382 1377814964 /nfs/dbraw/zinc/81/49/64/1377814964.db2.gz XLECVQFVMOOKBP-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138990382 1377814967 /nfs/dbraw/zinc/81/49/67/1377814967.db2.gz XLECVQFVMOOKBP-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)cc[nH+]1 ZINC001139015182 1377818081 /nfs/dbraw/zinc/81/80/81/1377818081.db2.gz CLKQGPIZZSBOHC-UHFFFAOYSA-N 2 2 336.361 3.126 20 0 EGADLP C[C@@H]1c2ccccc2CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320364 1377868291 /nfs/dbraw/zinc/86/82/91/1377868291.db2.gz UJPIEUAULPCLRA-OAHLLOKOSA-N 2 2 342.512 3.014 20 0 EGADLP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320364 1377868294 /nfs/dbraw/zinc/86/82/94/1377868294.db2.gz UJPIEUAULPCLRA-OAHLLOKOSA-N 2 2 342.512 3.014 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@]1(O)C(F)(F)F ZINC001139358495 1377873247 /nfs/dbraw/zinc/87/32/47/1377873247.db2.gz SYWFMGBMZBNWNL-CJNGLKHVSA-N 2 2 339.361 3.008 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@]1(O)C(F)(F)F ZINC001139358495 1377873250 /nfs/dbraw/zinc/87/32/50/1377873250.db2.gz SYWFMGBMZBNWNL-CJNGLKHVSA-N 2 2 339.361 3.008 20 0 EGADLP FC1CC[NH+](C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC001139362920 1377874563 /nfs/dbraw/zinc/87/45/63/1377874563.db2.gz RLOHRMFADBTKQT-UHFFFAOYSA-N 2 2 342.462 3.271 20 0 EGADLP F[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1[NH+]1CCCCC1 ZINC001139364527 1377874767 /nfs/dbraw/zinc/87/47/67/1377874767.db2.gz VGPJSIAPXDHTQL-VQTJNVASSA-N 2 2 342.462 3.271 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139760915 1377947203 /nfs/dbraw/zinc/94/72/03/1377947203.db2.gz AVUSKUMDJWWCOV-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139760915 1377947214 /nfs/dbraw/zinc/94/72/14/1377947214.db2.gz AVUSKUMDJWWCOV-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759496 1377947504 /nfs/dbraw/zinc/94/75/04/1377947504.db2.gz GHLMCMNOTYIWJC-ROUUACIJSA-N 2 2 332.488 3.161 20 0 EGADLP c1cc(C[NH+]2CC3(C2)CCCCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC001139764121 1377948263 /nfs/dbraw/zinc/94/82/63/1377948263.db2.gz GKBFFRSMRFZJGU-UHFFFAOYSA-N 2 2 344.499 3.164 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc5ccccc5cn4)C[C@H]3C2)nc1 ZINC001139997988 1377989767 /nfs/dbraw/zinc/98/97/67/1377989767.db2.gz QBKIQYNDBONRHT-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC001140028594 1377993218 /nfs/dbraw/zinc/99/32/18/1377993218.db2.gz YAOSDONUUHUCNG-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cccc(F)n3)CC2)c2ccccc2[nH+]1 ZINC001140131790 1378015802 /nfs/dbraw/zinc/01/58/02/1378015802.db2.gz UGEIYVLMFLJHIB-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP CC(C)NC(=O)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001140612738 1378098031 /nfs/dbraw/zinc/09/80/31/1378098031.db2.gz YWHXFHASDXFNKX-UHFFFAOYSA-N 2 2 343.515 3.275 20 0 EGADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140802081 1378140660 /nfs/dbraw/zinc/14/06/60/1378140660.db2.gz MZOJRDKURPSQOG-UHFFFAOYSA-N 2 2 342.443 3.148 20 0 EGADLP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140802081 1378140664 /nfs/dbraw/zinc/14/06/64/1378140664.db2.gz MZOJRDKURPSQOG-UHFFFAOYSA-N 2 2 342.443 3.148 20 0 EGADLP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCCN1C(=O)OC(C)(C)C ZINC001140805262 1378143114 /nfs/dbraw/zinc/14/31/14/1378143114.db2.gz YMOBVGYSOCBBIT-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCCN1C(=O)OC(C)(C)C ZINC001140805262 1378143115 /nfs/dbraw/zinc/14/31/15/1378143115.db2.gz YMOBVGYSOCBBIT-AWEZNQCLSA-N 2 2 344.459 3.394 20 0 EGADLP O=C1c2ccccc2CN1C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805844 1378143473 /nfs/dbraw/zinc/14/34/73/1378143473.db2.gz NTJAPOLRFRPCOC-UHFFFAOYSA-N 2 2 346.434 3.183 20 0 EGADLP CC(C)(C)CC(=O)NC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805971 1378144194 /nfs/dbraw/zinc/14/41/94/1378144194.db2.gz RRAUWWGNYCWKBD-UHFFFAOYSA-N 2 2 328.460 3.080 20 0 EGADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807207 1378146103 /nfs/dbraw/zinc/14/61/03/1378146103.db2.gz QLGLLIZBBWASTF-UHFFFAOYSA-N 2 2 344.459 3.394 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887554 1378169939 /nfs/dbraw/zinc/16/99/39/1378169939.db2.gz GCEOFESBVXHODH-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887554 1378169942 /nfs/dbraw/zinc/16/99/42/1378169942.db2.gz GCEOFESBVXHODH-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887554 1378169944 /nfs/dbraw/zinc/16/99/44/1378169944.db2.gz GCEOFESBVXHODH-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)c(F)c3)C2)C1 ZINC001140887554 1378169946 /nfs/dbraw/zinc/16/99/46/1378169946.db2.gz GCEOFESBVXHODH-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)C12CC([NH2+]Cc3cccs3)(C1)C2 ZINC001277032527 1378200817 /nfs/dbraw/zinc/20/08/17/1378200817.db2.gz KZFIBUPQRPUXIJ-UHFFFAOYSA-N 2 2 338.436 3.047 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001278173776 1378261017 /nfs/dbraw/zinc/26/10/17/1378261017.db2.gz SFWGIRDXNCOYON-HGKCTWBKSA-N 2 2 340.471 3.277 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001278173776 1378261023 /nfs/dbraw/zinc/26/10/23/1378261023.db2.gz SFWGIRDXNCOYON-HGKCTWBKSA-N 2 2 340.471 3.277 20 0 EGADLP CNc1nc(Cl)ncc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001142502059 1378449160 /nfs/dbraw/zinc/44/91/60/1378449160.db2.gz HZGAHWQJZFXVBX-UHFFFAOYSA-N 2 2 337.899 3.011 20 0 EGADLP CNc1nc(Cl)ncc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001142502059 1378449163 /nfs/dbraw/zinc/44/91/63/1378449163.db2.gz HZGAHWQJZFXVBX-UHFFFAOYSA-N 2 2 337.899 3.011 20 0 EGADLP c1nc2c(cccc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)[nH]1 ZINC001142686710 1378476466 /nfs/dbraw/zinc/47/64/66/1378476466.db2.gz HMIPAHTYNINHMO-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2[nH]1 ZINC001142686710 1378476473 /nfs/dbraw/zinc/47/64/73/1378476473.db2.gz HMIPAHTYNINHMO-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP COC(=O)Cc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001142912750 1378508315 /nfs/dbraw/zinc/50/83/15/1378508315.db2.gz UCDWOMNAMLNRLF-UHFFFAOYSA-N 2 2 344.499 3.241 20 0 EGADLP COC(=O)Cc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001142912750 1378508316 /nfs/dbraw/zinc/50/83/16/1378508316.db2.gz UCDWOMNAMLNRLF-UHFFFAOYSA-N 2 2 344.499 3.241 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001282664735 1378535100 /nfs/dbraw/zinc/53/51/00/1378535100.db2.gz JVSLXMGCSBERLE-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001282664735 1378535116 /nfs/dbraw/zinc/53/51/16/1378535116.db2.gz JVSLXMGCSBERLE-GOSISDBHSA-N 2 2 348.535 3.460 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143646530 1378630812 /nfs/dbraw/zinc/63/08/12/1378630812.db2.gz SKUQBVUSQWZCLK-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143646530 1378630814 /nfs/dbraw/zinc/63/08/14/1378630814.db2.gz SKUQBVUSQWZCLK-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(F)c1 ZINC001144447668 1378733160 /nfs/dbraw/zinc/73/31/60/1378733160.db2.gz JQGARIVGXVWPDE-ROUUACIJSA-N 2 2 348.462 3.451 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(F)c1 ZINC001144447668 1378733161 /nfs/dbraw/zinc/73/31/61/1378733161.db2.gz JQGARIVGXVWPDE-ROUUACIJSA-N 2 2 348.462 3.451 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001144447668 1378733162 /nfs/dbraw/zinc/73/31/62/1378733162.db2.gz JQGARIVGXVWPDE-ROUUACIJSA-N 2 2 348.462 3.451 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001144447668 1378733163 /nfs/dbraw/zinc/73/31/63/1378733163.db2.gz JQGARIVGXVWPDE-ROUUACIJSA-N 2 2 348.462 3.451 20 0 EGADLP CCCCCC[N@@H+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001147883188 1379096981 /nfs/dbraw/zinc/09/69/81/1379096981.db2.gz LGHNDQJZOVISSE-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP CCCCCC[N@H+]1CCC2(CN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001147883188 1379096983 /nfs/dbraw/zinc/09/69/83/1379096983.db2.gz LGHNDQJZOVISSE-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358103 1379156549 /nfs/dbraw/zinc/15/65/49/1379156549.db2.gz UCOJSNYPEABVPE-QWNKOJSDSA-N 2 2 344.503 3.115 20 0 EGADLP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358103 1379156551 /nfs/dbraw/zinc/15/65/51/1379156551.db2.gz UCOJSNYPEABVPE-QWNKOJSDSA-N 2 2 344.503 3.115 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891002 1380149895 /nfs/dbraw/zinc/14/98/95/1380149895.db2.gz FVBDPEWPQPFOKG-RMGSUIBPSA-N 2 2 332.492 3.086 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891002 1380149896 /nfs/dbraw/zinc/14/98/96/1380149896.db2.gz FVBDPEWPQPFOKG-RMGSUIBPSA-N 2 2 332.492 3.086 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891002 1380149897 /nfs/dbraw/zinc/14/98/97/1380149897.db2.gz FVBDPEWPQPFOKG-RMGSUIBPSA-N 2 2 332.492 3.086 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891002 1380149898 /nfs/dbraw/zinc/14/98/98/1380149898.db2.gz FVBDPEWPQPFOKG-RMGSUIBPSA-N 2 2 332.492 3.086 20 0 EGADLP CCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930701 1380157167 /nfs/dbraw/zinc/15/71/67/1380157167.db2.gz XOKJOGVQFXMECF-QZTJIDSGSA-N 2 2 336.524 3.487 20 0 EGADLP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930701 1380157169 /nfs/dbraw/zinc/15/71/69/1380157169.db2.gz XOKJOGVQFXMECF-QZTJIDSGSA-N 2 2 336.524 3.487 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994536 1380173185 /nfs/dbraw/zinc/17/31/85/1380173185.db2.gz LASQNUIGAUVXJP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994536 1380173187 /nfs/dbraw/zinc/17/31/87/1380173187.db2.gz LASQNUIGAUVXJP-QGZVFWFLSA-N 2 2 348.535 3.334 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015366 1380179625 /nfs/dbraw/zinc/17/96/25/1380179625.db2.gz FPIVPZMMPNLDQO-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015366 1380179629 /nfs/dbraw/zinc/17/96/29/1380179629.db2.gz FPIVPZMMPNLDQO-CQSZACIVSA-N 2 2 330.476 3.439 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315081 1380253885 /nfs/dbraw/zinc/25/38/85/1380253885.db2.gz MNZXQUKURWLTAC-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315081 1380253889 /nfs/dbraw/zinc/25/38/89/1380253889.db2.gz MNZXQUKURWLTAC-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315144 1380254041 /nfs/dbraw/zinc/25/40/41/1380254041.db2.gz QHUBLSLQYDIYKG-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315144 1380254042 /nfs/dbraw/zinc/25/40/42/1380254042.db2.gz QHUBLSLQYDIYKG-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP C[NH+]1CCN(c2cccc(NCc3cccc(OC(F)F)c3)[nH+]2)CC1 ZINC001154670116 1380328369 /nfs/dbraw/zinc/32/83/69/1380328369.db2.gz WDQIQFVZYGABCB-UHFFFAOYSA-N 2 2 348.397 3.047 20 0 EGADLP COc1cc2ccc(NC[C@H]3CCC[NH2+]C[C@H]3C)[nH+]c2cc1OC ZINC001155032190 1380395176 /nfs/dbraw/zinc/39/51/76/1380395176.db2.gz OJVPMVUSMONKNQ-UKRRQHHQSA-N 2 2 329.444 3.300 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cnc2[nH]c3cc(F)ccc3c21 ZINC001155030704 1380395218 /nfs/dbraw/zinc/39/52/18/1380395218.db2.gz QSIRXHYPXJXKBH-NEPJUHHUSA-N 2 2 327.407 3.298 20 0 EGADLP Fc1ccc2nc(Cl)nc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155052386 1380399410 /nfs/dbraw/zinc/39/94/10/1380399410.db2.gz BLGPGGMTBWFBBR-UHFFFAOYSA-N 2 2 331.782 3.075 20 0 EGADLP Cc1ccc2c(c1)nc(Cl)nc2-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155058304 1380399891 /nfs/dbraw/zinc/39/98/91/1380399891.db2.gz VRHNKSONMHRQGL-UHFFFAOYSA-N 2 2 327.819 3.244 20 0 EGADLP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)c21 ZINC001155123816 1380413111 /nfs/dbraw/zinc/41/31/11/1380413111.db2.gz KEYOEGZWDQJRIO-KRWDZBQOSA-N 2 2 331.370 3.144 20 0 EGADLP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155193199 1380422530 /nfs/dbraw/zinc/42/25/30/1380422530.db2.gz ICZJUCZXAABMPX-NVXWUHKLSA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155193199 1380422531 /nfs/dbraw/zinc/42/25/31/1380422531.db2.gz ICZJUCZXAABMPX-NVXWUHKLSA-N 2 2 346.519 3.237 20 0 EGADLP CCOc1cc[nH+]c(N(c2cccc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001155606103 1380472441 /nfs/dbraw/zinc/47/24/41/1380472441.db2.gz ODZKRLHXFCMPGS-UHFFFAOYSA-N 2 2 327.428 3.379 20 0 EGADLP C[NH+](C)C1(CNc2nc(C(F)F)nc3ccccc32)CC[NH+](C)CC1 ZINC001156185895 1380538251 /nfs/dbraw/zinc/53/82/51/1380538251.db2.gz WJTMZVKXILLGQW-UHFFFAOYSA-N 2 2 349.429 3.005 20 0 EGADLP COc1cc2[nH+]c(C)nc(NCC[C@@H]3CCC[N@H+](C)C3)c2cc1OC ZINC001156379403 1380567972 /nfs/dbraw/zinc/56/79/72/1380567972.db2.gz UZQTVRCIWBVUIG-AWEZNQCLSA-N 2 2 344.459 3.099 20 0 EGADLP COc1cc2[nH+]c(C)nc(NCC[C@@H]3CCC[N@@H+](C)C3)c2cc1OC ZINC001156379403 1380567973 /nfs/dbraw/zinc/56/79/73/1380567973.db2.gz UZQTVRCIWBVUIG-AWEZNQCLSA-N 2 2 344.459 3.099 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676475 1380608878 /nfs/dbraw/zinc/60/88/78/1380608878.db2.gz FDFKBJHALIIAGL-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676475 1380608879 /nfs/dbraw/zinc/60/88/79/1380608879.db2.gz FDFKBJHALIIAGL-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CC[N@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248294 1380822664 /nfs/dbraw/zinc/82/26/64/1380822664.db2.gz KRJBQUHJAVAPCO-JLAWEPINSA-N 2 2 348.535 3.316 20 0 EGADLP CC[N@@H+](CC1CCC(C)CC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248294 1380822669 /nfs/dbraw/zinc/82/26/69/1380822669.db2.gz KRJBQUHJAVAPCO-JLAWEPINSA-N 2 2 348.535 3.316 20 0 EGADLP CCOC(=O)c1c(C)cc(N2CCC(C)([NH+]3CCCC3)CC2)[nH+]c1C ZINC001157660311 1380992038 /nfs/dbraw/zinc/99/20/38/1380992038.db2.gz PUWKMJGVAJNTJP-UHFFFAOYSA-N 2 2 345.487 3.330 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881573 1381058441 /nfs/dbraw/zinc/05/84/41/1381058441.db2.gz ZCRSCLJOUNUDNP-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881573 1381058444 /nfs/dbraw/zinc/05/84/44/1381058444.db2.gz ZCRSCLJOUNUDNP-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296261 1381188864 /nfs/dbraw/zinc/18/88/64/1381188864.db2.gz IHSYWKYNPJKNHT-RBUKOAKNSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296261 1381188873 /nfs/dbraw/zinc/18/88/73/1381188873.db2.gz IHSYWKYNPJKNHT-RBUKOAKNSA-N 2 2 348.535 3.268 20 0 EGADLP Clc1ccc2c(cc[nH+]c2NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001158359585 1381216561 /nfs/dbraw/zinc/21/65/61/1381216561.db2.gz QPCJNRIEQNALKE-UHFFFAOYSA-N 2 2 327.819 3.190 20 0 EGADLP [NH3+]Cc1ccc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001160349560 1382079656 /nfs/dbraw/zinc/07/96/56/1382079656.db2.gz GXBAAKFDBKSVTJ-KRWDZBQOSA-N 2 2 333.382 3.265 20 0 EGADLP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431108 1382101504 /nfs/dbraw/zinc/10/15/04/1382101504.db2.gz LZILEIWCBXFNBT-IAGOWNOFSA-N 2 2 344.503 3.088 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001160431108 1382101508 /nfs/dbraw/zinc/10/15/08/1382101508.db2.gz LZILEIWCBXFNBT-IAGOWNOFSA-N 2 2 344.503 3.088 20 0 EGADLP CC(C)(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431108 1382101512 /nfs/dbraw/zinc/10/15/12/1382101512.db2.gz LZILEIWCBXFNBT-IAGOWNOFSA-N 2 2 344.503 3.088 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001160431108 1382101514 /nfs/dbraw/zinc/10/15/14/1382101514.db2.gz LZILEIWCBXFNBT-IAGOWNOFSA-N 2 2 344.503 3.088 20 0 EGADLP Cc1nc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c2c([nH+]1)CCC2 ZINC001161137662 1382315622 /nfs/dbraw/zinc/31/56/22/1382315622.db2.gz UWUKVQKGNHPVGL-UHFFFAOYSA-N 2 2 338.455 3.056 20 0 EGADLP CCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189141 1382334281 /nfs/dbraw/zinc/33/42/81/1382334281.db2.gz BGOULIDMTGRHAT-KRWDZBQOSA-N 2 2 344.503 3.158 20 0 EGADLP CCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189141 1382334285 /nfs/dbraw/zinc/33/42/85/1382334285.db2.gz BGOULIDMTGRHAT-KRWDZBQOSA-N 2 2 344.503 3.158 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001161785827 1382505873 /nfs/dbraw/zinc/50/58/73/1382505873.db2.gz SZWZCDDAYIIJOE-MRXNPFEDSA-N 2 2 346.519 3.081 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001161785827 1382505877 /nfs/dbraw/zinc/50/58/77/1382505877.db2.gz SZWZCDDAYIIJOE-MRXNPFEDSA-N 2 2 346.519 3.081 20 0 EGADLP CC(C)(CNc1ccc(N2CC[NH2+]CC2)c[nH+]1)Cc1ccccc1F ZINC001162132765 1382634999 /nfs/dbraw/zinc/63/49/99/1382634999.db2.gz FGIMZVUVFWRQEJ-UHFFFAOYSA-N 2 2 342.462 3.311 20 0 EGADLP [NH3+][C@H]1CCC[C@H](Nc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)C1 ZINC001162394482 1382746607 /nfs/dbraw/zinc/74/66/07/1382746607.db2.gz PKSPEBRCECGXAR-HOTGVXAUSA-N 2 2 334.427 3.011 20 0 EGADLP O=C(NCCC[NH2+][C@H]1CCCc2ccccc21)c1cccc2[nH+]ccn21 ZINC001162432856 1382756925 /nfs/dbraw/zinc/75/69/25/1382756925.db2.gz KKNDFNDBLYTQGH-SFHVURJKSA-N 2 2 348.450 3.121 20 0 EGADLP Cc1[nH+]c(C(C)(C)C)nc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1C ZINC001163056318 1382956745 /nfs/dbraw/zinc/95/67/45/1382956745.db2.gz DFOVZNIUIZBKNF-MRXNPFEDSA-N 2 2 341.503 3.414 20 0 EGADLP NC1=CC=C(C2CCN(c3cc(-c4ccccc4)cc[nH+]3)CC2)[NH2+]C1 ZINC001163131191 1382972768 /nfs/dbraw/zinc/97/27/68/1382972768.db2.gz PFWXGEACPLNWPW-UHFFFAOYSA-N 2 2 332.451 3.295 20 0 EGADLP c1cc2c(s1)[C@@H](Nc1cc[nH+]c(OCc3ccccn3)c1)C[NH2+]C2 ZINC001163231175 1383001177 /nfs/dbraw/zinc/00/11/77/1383001177.db2.gz VJNBVIDSDOPQNT-INIZCTEOSA-N 2 2 338.436 3.374 20 0 EGADLP COc1ccccc1-n1c[nH+]c2cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001163268200 1383009318 /nfs/dbraw/zinc/00/93/18/1383009318.db2.gz CFLUWSDDSFISCN-PVAVHDDUSA-N 2 2 348.450 3.444 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@H]3CC[N@@H+](C(C)C)C[C@@H]3C)c2[nH]1 ZINC001163360758 1383030275 /nfs/dbraw/zinc/03/02/75/1383030275.db2.gz FRTUAISLFFZELZ-ZFWWWQNUSA-N 2 2 344.459 3.270 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@H]3CC[N@H+](C(C)C)C[C@@H]3C)c2[nH]1 ZINC001163360758 1383030279 /nfs/dbraw/zinc/03/02/79/1383030279.db2.gz FRTUAISLFFZELZ-ZFWWWQNUSA-N 2 2 344.459 3.270 20 0 EGADLP Cc1[nH+]cn(-c2ccc(-n3c(C)c(C)c4cc(C[NH3+])ccc43)nn2)c1C ZINC001163757549 1383118392 /nfs/dbraw/zinc/11/83/92/1383118392.db2.gz VXWOFJJPAJDRIO-UHFFFAOYSA-N 2 2 346.438 3.299 20 0 EGADLP CN(C)c1cc(Cl)[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001163904930 1383134797 /nfs/dbraw/zinc/13/47/97/1383134797.db2.gz LADMIEFXHCTSLW-UHFFFAOYSA-N 2 2 345.878 3.275 20 0 EGADLP CN(C)c1nc(NCc2cccc(C[NH+](C)C)c2)[nH+]c2ccccc21 ZINC001163993276 1383143989 /nfs/dbraw/zinc/14/39/89/1383143989.db2.gz ITKZDDJMDMWJIV-UHFFFAOYSA-N 2 2 335.455 3.370 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2[nH+]c(C)cc(Cl)c2C)CC1 ZINC001165110629 1383229756 /nfs/dbraw/zinc/22/97/56/1383229756.db2.gz ULWQNZSHVANGHQ-INIZCTEOSA-N 2 2 337.895 3.431 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2[nH+]c(C)cc(Cl)c2C)CC1 ZINC001165110629 1383229759 /nfs/dbraw/zinc/22/97/59/1383229759.db2.gz ULWQNZSHVANGHQ-INIZCTEOSA-N 2 2 337.895 3.431 20 0 EGADLP CCCc1cc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001165307024 1383270332 /nfs/dbraw/zinc/27/03/32/1383270332.db2.gz VZKIUEDWYYQUFL-CQSZACIVSA-N 2 2 342.409 3.391 20 0 EGADLP COc1cc2[nH+]c(N3CCCCC34CC[NH2+]CC4)ccc2c(OC)c1 ZINC001165339929 1383277796 /nfs/dbraw/zinc/27/77/96/1383277796.db2.gz DXZUGWBEHDXACS-UHFFFAOYSA-N 2 2 341.455 3.365 20 0 EGADLP Cc1[nH+]c2c(n1-c1nccc3cc(F)c(Cl)cc31)CC[NH2+]CC2 ZINC001165356780 1383280947 /nfs/dbraw/zinc/28/09/47/1383280947.db2.gz SMNXWJHTNURNME-UHFFFAOYSA-N 2 2 330.794 3.210 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001328752257 1388844278 /nfs/dbraw/zinc/84/42/78/1388844278.db2.gz HAEAKJAWOATRMY-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001328752257 1388844283 /nfs/dbraw/zinc/84/42/83/1388844283.db2.gz HAEAKJAWOATRMY-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[NH2+]CC1(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001166139074 1383394665 /nfs/dbraw/zinc/39/46/65/1383394665.db2.gz YYPYJEZBXXXSCH-UHFFFAOYSA-N 2 2 328.460 3.014 20 0 EGADLP CCN(C)c1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc[nH+]1 ZINC001166889374 1383494697 /nfs/dbraw/zinc/49/46/97/1383494697.db2.gz RIOLJUSEAXPYSE-QGZVFWFLSA-N 2 2 325.460 3.182 20 0 EGADLP Cc1cc(Cl)c(C)c(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)[nH+]1 ZINC001167208561 1383567024 /nfs/dbraw/zinc/56/70/24/1383567024.db2.gz VBAHDDDMOODZFL-APWZRJJASA-N 2 2 327.859 3.329 20 0 EGADLP CC(C)CCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348715 1383606608 /nfs/dbraw/zinc/60/66/08/1383606608.db2.gz RRTGKZOJRLXHHM-KRWDZBQOSA-N 2 2 334.508 3.147 20 0 EGADLP c1ccc(COc2cc[nH+]c(NCC[NH+]3CCSCC3)c2)cc1 ZINC001167832856 1383752519 /nfs/dbraw/zinc/75/25/19/1383752519.db2.gz QXDHUDCTRKWXRG-UHFFFAOYSA-N 2 2 329.469 3.121 20 0 EGADLP O=C(C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1)C(F)(F)F ZINC001167995360 1383791600 /nfs/dbraw/zinc/79/16/00/1383791600.db2.gz CGWNNRIYAYYMPX-XYPWUTKMSA-N 2 2 344.421 3.235 20 0 EGADLP O=C(C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)C(F)(F)F ZINC001167995360 1383791603 /nfs/dbraw/zinc/79/16/03/1383791603.db2.gz CGWNNRIYAYYMPX-XYPWUTKMSA-N 2 2 344.421 3.235 20 0 EGADLP C[C@H]1CC(n2cc[nH+]c2CCC[NH3+])C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039470 1383801928 /nfs/dbraw/zinc/80/19/28/1383801928.db2.gz FHGOSJITSSTMMF-IRXDYDNUSA-N 3 2 326.488 3.389 20 0 EGADLP CC1CCC([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)CC1 ZINC001168218519 1383847554 /nfs/dbraw/zinc/84/75/54/1383847554.db2.gz WGGKZJIMANQUNC-UHFFFAOYSA-N 2 2 330.520 3.429 20 0 EGADLP CC1CCC([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)CC1 ZINC001168218519 1383847559 /nfs/dbraw/zinc/84/75/59/1383847559.db2.gz WGGKZJIMANQUNC-UHFFFAOYSA-N 2 2 330.520 3.429 20 0 EGADLP c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3C[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387633 1383891252 /nfs/dbraw/zinc/89/12/52/1383891252.db2.gz MWFQNBWLDIVIDC-CALCHBBNSA-N 2 2 348.494 3.391 20 0 EGADLP c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3C[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387633 1383891254 /nfs/dbraw/zinc/89/12/54/1383891254.db2.gz MWFQNBWLDIVIDC-CALCHBBNSA-N 2 2 348.494 3.391 20 0 EGADLP Cc1[nH+]c2ccc(NCC3([NH+]4CCCC4)COC3)cc2n1C(C)C ZINC001168450946 1383909669 /nfs/dbraw/zinc/90/96/69/1383909669.db2.gz CFNJWKKXLLIPCD-UHFFFAOYSA-N 2 2 328.460 3.202 20 0 EGADLP FC(F)(F)c1c[nH+]ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC001306944055 1383924183 /nfs/dbraw/zinc/92/41/83/1383924183.db2.gz XNQNDQUIYAFBEY-UHFFFAOYSA-N 2 2 327.375 3.054 20 0 EGADLP FC(F)(F)c1c[nH+]ccc1NCC[N@H+]1CCc2sccc2C1 ZINC001306944055 1383924186 /nfs/dbraw/zinc/92/41/86/1383924186.db2.gz XNQNDQUIYAFBEY-UHFFFAOYSA-N 2 2 327.375 3.054 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4[nH+]ccn4c3)CCO2)cc1 ZINC001168629748 1383952029 /nfs/dbraw/zinc/95/20/29/1383952029.db2.gz KMGCNQXDENGZRP-IEBWSBKVSA-N 2 2 337.423 3.353 20 0 EGADLP CC(C)[N@H+]([C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878260 1384043776 /nfs/dbraw/zinc/04/37/76/1384043776.db2.gz BJXZYHJOMUMSEB-RDJZCZTQSA-N 2 2 339.524 3.189 20 0 EGADLP CC(C)[N@@H+]([C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878260 1384043778 /nfs/dbraw/zinc/04/37/78/1384043778.db2.gz BJXZYHJOMUMSEB-RDJZCZTQSA-N 2 2 339.524 3.189 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100012 1384107238 /nfs/dbraw/zinc/10/72/38/1384107238.db2.gz ZHQJIUJUGSHTFR-BTTYYORXSA-N 2 2 344.377 3.309 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100012 1384107240 /nfs/dbraw/zinc/10/72/40/1384107240.db2.gz ZHQJIUJUGSHTFR-BTTYYORXSA-N 2 2 344.377 3.309 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156434 1384116945 /nfs/dbraw/zinc/11/69/45/1384116945.db2.gz YGNVVNCVLPDNME-UYVKZUBASA-N 2 2 334.467 3.142 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156434 1384116951 /nfs/dbraw/zinc/11/69/51/1384116951.db2.gz YGNVVNCVLPDNME-UYVKZUBASA-N 2 2 334.467 3.142 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156434 1384116956 /nfs/dbraw/zinc/11/69/56/1384116956.db2.gz YGNVVNCVLPDNME-UYVKZUBASA-N 2 2 334.467 3.142 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@H](C1)c1cc4nccnc4cc13)C2 ZINC001169156434 1384116959 /nfs/dbraw/zinc/11/69/59/1384116959.db2.gz YGNVVNCVLPDNME-UYVKZUBASA-N 2 2 334.467 3.142 20 0 EGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169160017 1384117143 /nfs/dbraw/zinc/11/71/43/1384117143.db2.gz AEXGEMIEMAQCGE-XCLNPWKQSA-N 2 2 331.479 3.130 20 0 EGADLP C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169160017 1384117146 /nfs/dbraw/zinc/11/71/46/1384117146.db2.gz AEXGEMIEMAQCGE-XCLNPWKQSA-N 2 2 331.479 3.130 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](CN(C)C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001169242180 1384126547 /nfs/dbraw/zinc/12/65/47/1384126547.db2.gz YDHJLSYXAWZPLW-WYGOJCFESA-N 2 2 333.564 3.207 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC(C(=O)c3cccc(OC)c3)CC2)CC1 ZINC001169246679 1384126874 /nfs/dbraw/zinc/12/68/74/1384126874.db2.gz UQJZYXSXEWXBOL-UHFFFAOYSA-N 2 2 330.472 3.074 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001169264639 1384129354 /nfs/dbraw/zinc/12/93/54/1384129354.db2.gz OTXPMDVAPVKFIL-UHFFFAOYSA-N 2 2 327.516 3.069 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001169264639 1384129360 /nfs/dbraw/zinc/12/93/60/1384129360.db2.gz OTXPMDVAPVKFIL-UHFFFAOYSA-N 2 2 327.516 3.069 20 0 EGADLP CC[NH+]1CCC([NH+]2CCN(c3nc4ccccc4cc3C)CC2)CC1 ZINC001169265694 1384129509 /nfs/dbraw/zinc/12/95/09/1384129509.db2.gz PMJUQDGEWWSPLH-UHFFFAOYSA-N 2 2 338.499 3.150 20 0 EGADLP O=C(OC1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1)c1ccccc1 ZINC001169283765 1384132141 /nfs/dbraw/zinc/13/21/41/1384132141.db2.gz NKZZHIZAJFOAQD-GPJFCIFZSA-N 2 2 342.483 3.229 20 0 EGADLP O=C(OC1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1)c1ccccc1 ZINC001169283765 1384132143 /nfs/dbraw/zinc/13/21/43/1384132143.db2.gz NKZZHIZAJFOAQD-GPJFCIFZSA-N 2 2 342.483 3.229 20 0 EGADLP C[C@@H]1CN(c2ccc(NC3CC[NH+](C(C)(C)C)CC3)c[nH+]2)C[C@@H](C)O1 ZINC001308730221 1384145457 /nfs/dbraw/zinc/14/54/57/1384145457.db2.gz DWGZWODGMCQDTD-HZPDHXFCSA-N 2 2 346.519 3.370 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001308739416 1384146389 /nfs/dbraw/zinc/14/63/89/1384146389.db2.gz BLMDEILZZUTHJA-ZDUSSCGKSA-N 2 2 342.940 3.217 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001308739416 1384146391 /nfs/dbraw/zinc/14/63/91/1384146391.db2.gz BLMDEILZZUTHJA-ZDUSSCGKSA-N 2 2 342.940 3.217 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC001170170641 1384254118 /nfs/dbraw/zinc/25/41/18/1384254118.db2.gz MTOQMXHOZFFWHW-OALUTQOASA-N 2 2 332.488 3.207 20 0 EGADLP C[NH+]1C(C)(C)CC(Nc2cc3c(c[nH+]2)C(C)(C)C(=O)N3)CC1(C)C ZINC001170453089 1384322742 /nfs/dbraw/zinc/32/27/42/1384322742.db2.gz JVSHXRBNOCIWHK-UHFFFAOYSA-N 2 2 330.476 3.375 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001170472247 1384326232 /nfs/dbraw/zinc/32/62/32/1384326232.db2.gz MMSDPIINHNCHSO-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150512 1384455408 /nfs/dbraw/zinc/45/54/08/1384455408.db2.gz BCPBIWCGTHCPJD-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150512 1384455412 /nfs/dbraw/zinc/45/54/12/1384455412.db2.gz BCPBIWCGTHCPJD-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153393 1384456202 /nfs/dbraw/zinc/45/62/02/1384456202.db2.gz YAZMGMFQAUHPJX-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccccc1C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153393 1384456203 /nfs/dbraw/zinc/45/62/03/1384456203.db2.gz YAZMGMFQAUHPJX-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358815 1384500880 /nfs/dbraw/zinc/50/08/80/1384500880.db2.gz KSJSQULNGZRURD-CGTJXYLNSA-N 2 2 346.519 3.358 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358815 1384500886 /nfs/dbraw/zinc/50/08/86/1384500886.db2.gz KSJSQULNGZRURD-CGTJXYLNSA-N 2 2 346.519 3.358 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CCCC[NH2+]CCC(C)(C)C ZINC001171485752 1384537692 /nfs/dbraw/zinc/53/76/92/1384537692.db2.gz DHXBLKPLULFZMF-INIZCTEOSA-N 2 2 349.519 3.334 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577745 1384570049 /nfs/dbraw/zinc/57/00/49/1384570049.db2.gz WFSGCNFYHDFERL-MSOLQXFVSA-N 2 2 348.535 3.146 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641908 1384589405 /nfs/dbraw/zinc/58/94/05/1384589405.db2.gz VSPAPZFTUMCXHT-QGZVFWFLSA-N 3 2 331.504 3.495 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641908 1384589408 /nfs/dbraw/zinc/58/94/08/1384589408.db2.gz VSPAPZFTUMCXHT-QGZVFWFLSA-N 3 2 331.504 3.495 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([N@@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001171920838 1384682160 /nfs/dbraw/zinc/68/21/60/1384682160.db2.gz AGTBBNFCCAQAEX-PPSBMQLTSA-N 2 2 344.499 3.273 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([N@H+]2Cc3ccccc3C[C@H]2C[NH3+])CC1 ZINC001171920838 1384682162 /nfs/dbraw/zinc/68/21/62/1384682162.db2.gz AGTBBNFCCAQAEX-PPSBMQLTSA-N 2 2 344.499 3.273 20 0 EGADLP CC(C)(C)OC(=O)C1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001171929356 1384685646 /nfs/dbraw/zinc/68/56/46/1384685646.db2.gz FZFQBVMYRUAXPS-HWOWSKLDSA-N 2 2 333.476 3.423 20 0 EGADLP CC1(C)C[C@H](N[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1 ZINC001171969182 1384698664 /nfs/dbraw/zinc/69/86/64/1384698664.db2.gz UGHZLNZSAMUTIG-UXHICEINSA-N 2 2 327.516 3.113 20 0 EGADLP CC1(C)C[C@H](N[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccccc1 ZINC001171969182 1384698666 /nfs/dbraw/zinc/69/86/66/1384698666.db2.gz UGHZLNZSAMUTIG-UXHICEINSA-N 2 2 327.516 3.113 20 0 EGADLP c1ccc(N(C2CC[NH2+]CC2)[C@H]2CSc3ccccc3C2)[nH+]c1 ZINC001172208271 1384749474 /nfs/dbraw/zinc/74/94/74/1384749474.db2.gz IAYRIMUKSUMCMC-QGZVFWFLSA-N 2 2 325.481 3.357 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccncc2)CC1 ZINC001172243952 1384754958 /nfs/dbraw/zinc/75/49/58/1384754958.db2.gz JTSVBCCKSSFIKD-NRFANRHFSA-N 2 2 339.483 3.262 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172329984 1384771012 /nfs/dbraw/zinc/77/10/12/1384771012.db2.gz JSOKXLHXLFYIJZ-BWPNAZKDSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172329984 1384771021 /nfs/dbraw/zinc/77/10/21/1384771021.db2.gz JSOKXLHXLFYIJZ-BWPNAZKDSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172329984 1384771025 /nfs/dbraw/zinc/77/10/25/1384771025.db2.gz JSOKXLHXLFYIJZ-BWPNAZKDSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172329984 1384771029 /nfs/dbraw/zinc/77/10/29/1384771029.db2.gz JSOKXLHXLFYIJZ-BWPNAZKDSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172451739 1384795466 /nfs/dbraw/zinc/79/54/66/1384795466.db2.gz MOEOWGZYCWAKQB-RLLQIKCJSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172451739 1384795468 /nfs/dbraw/zinc/79/54/68/1384795468.db2.gz MOEOWGZYCWAKQB-RLLQIKCJSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172451739 1384795471 /nfs/dbraw/zinc/79/54/71/1384795471.db2.gz MOEOWGZYCWAKQB-RLLQIKCJSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172451739 1384795474 /nfs/dbraw/zinc/79/54/74/1384795474.db2.gz MOEOWGZYCWAKQB-RLLQIKCJSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001172451811 1384795520 /nfs/dbraw/zinc/79/55/20/1384795520.db2.gz NPGZCBWNJDRCJW-MSOLQXFVSA-N 2 2 347.503 3.003 20 0 EGADLP CCCC[C@H]1C[C@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172625258 1384821592 /nfs/dbraw/zinc/82/15/92/1384821592.db2.gz CXNFBQPXABXYPS-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779591 1384850642 /nfs/dbraw/zinc/85/06/42/1384850642.db2.gz GSVCSGDODCAYCQ-BRSBDYLESA-N 2 2 345.487 3.280 20 0 EGADLP COCC[N@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172853219 1384865081 /nfs/dbraw/zinc/86/50/81/1384865081.db2.gz KEIMBYLPZOJFHD-CQSZACIVSA-N 2 2 342.886 3.453 20 0 EGADLP COCC[N@@H+]([C@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172853219 1384865085 /nfs/dbraw/zinc/86/50/85/1384865085.db2.gz KEIMBYLPZOJFHD-CQSZACIVSA-N 2 2 342.886 3.453 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172945847 1384886652 /nfs/dbraw/zinc/88/66/52/1384886652.db2.gz HJPRUAHURNURNP-INIZCTEOSA-N 2 2 335.492 3.093 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172945847 1384886657 /nfs/dbraw/zinc/88/66/57/1384886657.db2.gz HJPRUAHURNURNP-INIZCTEOSA-N 2 2 335.492 3.093 20 0 EGADLP CCCOC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001173098074 1384913803 /nfs/dbraw/zinc/91/38/03/1384913803.db2.gz VTYWIYYYEATPJL-HJLBWTBNSA-N 2 2 343.515 3.183 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173410168 1384967371 /nfs/dbraw/zinc/96/73/71/1384967371.db2.gz AXJWFOQVVLAVCG-SFHVURJKSA-N 2 2 349.906 3.017 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173410168 1384967373 /nfs/dbraw/zinc/96/73/73/1384967373.db2.gz AXJWFOQVVLAVCG-SFHVURJKSA-N 2 2 349.906 3.017 20 0 EGADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H](C)C[NH+]1CCC(C)CC1)CC2 ZINC001173616026 1384988487 /nfs/dbraw/zinc/98/84/87/1384988487.db2.gz IULZZQKYKCULHG-BHASAWDCSA-N 2 2 336.520 3.208 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001173651601 1384996090 /nfs/dbraw/zinc/99/60/90/1384996090.db2.gz OYWMEIHHEGUYIQ-DOTOQJQBSA-N 2 2 327.428 3.303 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001317290739 1385064097 /nfs/dbraw/zinc/06/40/97/1385064097.db2.gz SXHQZIVXOQUIJP-HUUCEWRRSA-N 2 2 348.878 3.172 20 0 EGADLP Cc1cc(C)[nH+]c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC001174431101 1385107766 /nfs/dbraw/zinc/10/77/66/1385107766.db2.gz RWFCJIYIBSXIHR-UHFFFAOYSA-N 2 2 327.428 3.153 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001174683143 1385133763 /nfs/dbraw/zinc/13/37/63/1385133763.db2.gz OTIJFDRFVYDDCD-OAHLLOKOSA-N 2 2 342.487 3.241 20 0 EGADLP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccccc1C1CC1 ZINC001317451595 1385150688 /nfs/dbraw/zinc/15/06/88/1385150688.db2.gz OUXVJMBNYZKKOU-UHFFFAOYSA-N 2 2 348.450 3.302 20 0 EGADLP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccccc1C1CC1 ZINC001317451595 1385150690 /nfs/dbraw/zinc/15/06/90/1385150690.db2.gz OUXVJMBNYZKKOU-UHFFFAOYSA-N 2 2 348.450 3.302 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC001174814810 1385153788 /nfs/dbraw/zinc/15/37/88/1385153788.db2.gz LOEPXOWMSVCAQQ-UHFFFAOYSA-N 2 2 347.466 3.427 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209797 1385221442 /nfs/dbraw/zinc/22/14/42/1385221442.db2.gz LWHKDULAZYWTNT-HZPDHXFCSA-N 2 2 332.492 3.060 20 0 EGADLP CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001175462731 1385299030 /nfs/dbraw/zinc/29/90/30/1385299030.db2.gz VWAQJNMXELMZFS-QFBILLFUSA-N 2 2 342.487 3.368 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175501841 1385313225 /nfs/dbraw/zinc/31/32/25/1385313225.db2.gz GHPUYJALELNJHQ-QZTJIDSGSA-N 2 2 342.487 3.299 20 0 EGADLP CCc1[nH+]ccc(C)c1Nc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001175824988 1385414848 /nfs/dbraw/zinc/41/48/48/1385414848.db2.gz VAEAOIFIVAZHBT-UHFFFAOYSA-N 2 2 340.471 3.378 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873538 1385426839 /nfs/dbraw/zinc/42/68/39/1385426839.db2.gz LILDBQBDGLMVBU-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873037 1385426870 /nfs/dbraw/zinc/42/68/70/1385426870.db2.gz JJHWSLSBJMRUSS-CGZBRXJRSA-N 2 2 334.508 3.043 20 0 EGADLP C[N@H+](CCC1CCCC1)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001317875051 1385553567 /nfs/dbraw/zinc/55/35/67/1385553567.db2.gz BDGKDHDSSSBWJE-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001317875051 1385553571 /nfs/dbraw/zinc/55/35/71/1385553571.db2.gz BDGKDHDSSSBWJE-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CCOc1cc[nH+]cc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC001176379339 1385568487 /nfs/dbraw/zinc/56/84/87/1385568487.db2.gz WYOLZKUHZGNNSA-UHFFFAOYSA-N 2 2 327.428 3.099 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176391731 1385573840 /nfs/dbraw/zinc/57/38/40/1385573840.db2.gz GSOFSBZFZRZACS-KRWDZBQOSA-N 2 2 336.524 3.198 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176828455 1385715121 /nfs/dbraw/zinc/71/51/21/1385715121.db2.gz AKZKAMYZEPFHIU-KRWDZBQOSA-N 2 2 332.492 3.038 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccc(Cl)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001176829764 1385716092 /nfs/dbraw/zinc/71/60/92/1385716092.db2.gz PQDVPHDSWUAETO-HNNXBMFYSA-N 2 2 348.878 3.001 20 0 EGADLP Cc1noc(Cl)c1CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318541156 1385744296 /nfs/dbraw/zinc/74/42/96/1385744296.db2.gz ISLMMEZUHRRXHX-UHFFFAOYSA-N 2 2 345.790 3.097 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CNc1ccccc1Cl ZINC001318551992 1385752077 /nfs/dbraw/zinc/75/20/77/1385752077.db2.gz ATZPITCPXUHNDT-UHFFFAOYSA-N 2 2 341.802 3.280 20 0 EGADLP CCCCN(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001318683099 1385837034 /nfs/dbraw/zinc/83/70/34/1385837034.db2.gz FVKGSDKKCSDSFR-OAHLLOKOSA-N 2 2 334.508 3.382 20 0 EGADLP CC(C)C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001319630870 1386219423 /nfs/dbraw/zinc/21/94/23/1386219423.db2.gz KQEIYWSQUNKNMZ-QGZVFWFLSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(N2CCCC2)n1 ZINC001178454176 1386222746 /nfs/dbraw/zinc/22/27/46/1386222746.db2.gz CRDRVLHQWZBGRN-UHFFFAOYSA-N 2 2 347.466 3.466 20 0 EGADLP CCCC[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178483611 1386231098 /nfs/dbraw/zinc/23/10/98/1386231098.db2.gz GLROZBJZKICFBD-UHFFFAOYSA-N 2 2 330.476 3.323 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178649601 1386268645 /nfs/dbraw/zinc/26/86/45/1386268645.db2.gz QOVRPBUQLGUXED-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CCCC1CCC1 ZINC001178649601 1386268656 /nfs/dbraw/zinc/26/86/56/1386268656.db2.gz QOVRPBUQLGUXED-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001319817121 1386313196 /nfs/dbraw/zinc/31/31/96/1386313196.db2.gz MWEIURSBZNRYEY-FUHWJXTLSA-N 2 2 348.535 3.006 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811653 1386314301 /nfs/dbraw/zinc/31/43/01/1386314301.db2.gz XAVASEOGZNLKBD-UHFFFAOYSA-N 2 2 349.519 3.479 20 0 EGADLP CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178864166 1386332180 /nfs/dbraw/zinc/33/21/80/1386332180.db2.gz DKHQPDXADSBJGL-SFHVURJKSA-N 2 2 348.535 3.292 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178866141 1386333552 /nfs/dbraw/zinc/33/35/52/1386333552.db2.gz VIDZUNHBYRIYTG-KRWDZBQOSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001178957114 1386359557 /nfs/dbraw/zinc/35/95/57/1386359557.db2.gz MYDHGZOKFPOTPR-WDSOQIARSA-N 2 2 346.519 3.240 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957225 1386360774 /nfs/dbraw/zinc/36/07/74/1386360774.db2.gz SNNASVLFOVITTG-NEPBSLMDSA-N 2 2 346.519 3.406 20 0 EGADLP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001320018694 1386454780 /nfs/dbraw/zinc/45/47/80/1386454780.db2.gz NKOJNZWDCRIHGO-UHFFFAOYSA-N 2 2 330.476 3.164 20 0 EGADLP CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001320018694 1386454784 /nfs/dbraw/zinc/45/47/84/1386454784.db2.gz NKOJNZWDCRIHGO-UHFFFAOYSA-N 2 2 330.476 3.164 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705469 1386560305 /nfs/dbraw/zinc/56/03/05/1386560305.db2.gz FSKXDSIAJOLKMS-PYTPGESOSA-N 2 2 334.508 3.457 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777043 1386581865 /nfs/dbraw/zinc/58/18/65/1386581865.db2.gz NVUIVVQEXGRUPF-QGZVFWFLSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777043 1386581870 /nfs/dbraw/zinc/58/18/70/1386581870.db2.gz NVUIVVQEXGRUPF-QGZVFWFLSA-N 2 2 348.535 3.435 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001179901612 1386622305 /nfs/dbraw/zinc/62/23/05/1386622305.db2.gz DFSYTARVXWFEHI-UHFFFAOYSA-N 2 2 348.878 3.072 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001179902996 1386623327 /nfs/dbraw/zinc/62/33/27/1386623327.db2.gz WJQBFHWDCBMTJF-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)c3ccc(C)cc3)CC2)c1 ZINC001179997799 1386663890 /nfs/dbraw/zinc/66/38/90/1386663890.db2.gz XTNQRJWTBJRTDD-QGZVFWFLSA-N 2 2 325.456 3.324 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)Cc2[nH]c[nH+]c2C)cs1 ZINC001180159102 1386717664 /nfs/dbraw/zinc/71/76/64/1386717664.db2.gz YTUXFKDAYACKAD-UHFFFAOYSA-N 2 2 348.516 3.097 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276486 1386752829 /nfs/dbraw/zinc/75/28/29/1386752829.db2.gz ULEZWGQQDFJGOJ-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181780955 1387054235 /nfs/dbraw/zinc/05/42/35/1387054235.db2.gz FVURRKXKYAESFQ-WVSUBDOOSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181780955 1387054242 /nfs/dbraw/zinc/05/42/42/1387054242.db2.gz FVURRKXKYAESFQ-WVSUBDOOSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001182855277 1387235006 /nfs/dbraw/zinc/23/50/06/1387235006.db2.gz GKTZRCIYQPXTOC-RZQQEMMASA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001182855277 1387235009 /nfs/dbraw/zinc/23/50/09/1387235009.db2.gz GKTZRCIYQPXTOC-RZQQEMMASA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182856757 1387235869 /nfs/dbraw/zinc/23/58/69/1387235869.db2.gz ZNXRITDNMVRIDX-JXXFODFXSA-N 2 2 348.535 3.099 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182856757 1387235871 /nfs/dbraw/zinc/23/58/71/1387235871.db2.gz ZNXRITDNMVRIDX-JXXFODFXSA-N 2 2 348.535 3.099 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCO[C@@H](C)CC(C)C ZINC001332016374 1389947872 /nfs/dbraw/zinc/94/78/72/1389947872.db2.gz OTFYLOULVQDWES-AWEZNQCLSA-N 2 2 330.432 3.356 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001480365093 1392708300 /nfs/dbraw/zinc/70/83/00/1392708300.db2.gz AFSOKGFEMHDUCQ-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001480767269 1392921167 /nfs/dbraw/zinc/92/11/67/1392921167.db2.gz JBOTXJPBYYOVQP-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001480767269 1392921169 /nfs/dbraw/zinc/92/11/69/1392921169.db2.gz JBOTXJPBYYOVQP-KGLIPLIRSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001480767271 1392921192 /nfs/dbraw/zinc/92/11/92/1392921192.db2.gz JBOTXJPBYYOVQP-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001480767271 1392921194 /nfs/dbraw/zinc/92/11/94/1392921194.db2.gz JBOTXJPBYYOVQP-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(C(C)(C)C)CC1 ZINC001481008481 1393084585 /nfs/dbraw/zinc/08/45/85/1393084585.db2.gz MMVXVVXICNUYFN-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(C(C)(C)C)CC1 ZINC001481008481 1393084588 /nfs/dbraw/zinc/08/45/88/1393084588.db2.gz MMVXVVXICNUYFN-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001481285767 1393158463 /nfs/dbraw/zinc/15/84/63/1393158463.db2.gz QDGBZBRPFIUPNA-GJZGRUSLSA-N 2 2 348.878 3.297 20 0 EGADLP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490766143 1394327892 /nfs/dbraw/zinc/32/78/92/1394327892.db2.gz KPWAOZZCRCUKDY-OAHLLOKOSA-N 2 2 328.460 3.003 20 0 EGADLP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490766143 1394327893 /nfs/dbraw/zinc/32/78/93/1394327893.db2.gz KPWAOZZCRCUKDY-OAHLLOKOSA-N 2 2 328.460 3.003 20 0 EGADLP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001481861800 1394565211 /nfs/dbraw/zinc/56/52/11/1394565211.db2.gz PRBMUIOFVDCKEK-JKSUJKDBSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001484759839 1395512202 /nfs/dbraw/zinc/51/22/02/1395512202.db2.gz CZVWBWKTBODFON-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001484759839 1395512204 /nfs/dbraw/zinc/51/22/04/1395512204.db2.gz CZVWBWKTBODFON-SFHVURJKSA-N 2 2 342.487 3.123 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(F)cc2)c(C)[nH+]1 ZINC001492060034 1396302582 /nfs/dbraw/zinc/30/25/82/1396302582.db2.gz QTNBUXQPGQCFCJ-CQSZACIVSA-N 2 2 343.446 3.444 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001690130555 1404325636 /nfs/dbraw/zinc/32/56/36/1404325636.db2.gz GNAZNFGROHCUIU-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001691470340 1405288694 /nfs/dbraw/zinc/28/86/94/1405288694.db2.gz GFSTYCBCAOGCLF-RYQLBKOJSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001691470340 1405288696 /nfs/dbraw/zinc/28/86/96/1405288696.db2.gz GFSTYCBCAOGCLF-RYQLBKOJSA-N 2 2 346.519 3.043 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001691867577 1405589491 /nfs/dbraw/zinc/58/94/91/1405589491.db2.gz WYUVRJVXBRDGSB-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001691867577 1405589497 /nfs/dbraw/zinc/58/94/97/1405589497.db2.gz WYUVRJVXBRDGSB-SFHVURJKSA-N 2 2 346.519 3.154 20 0 EGADLP CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972150 1405687892 /nfs/dbraw/zinc/68/78/92/1405687892.db2.gz LXZLBWSJYHSFIW-RDTXWAMCSA-N 2 2 331.504 3.447 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972150 1405687901 /nfs/dbraw/zinc/68/79/01/1405687901.db2.gz LXZLBWSJYHSFIW-RDTXWAMCSA-N 2 2 331.504 3.447 20 0 EGADLP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447910 1412783462 /nfs/dbraw/zinc/78/34/62/1412783462.db2.gz SFJTURLMBNTRGX-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447910 1412783468 /nfs/dbraw/zinc/78/34/68/1412783468.db2.gz SFJTURLMBNTRGX-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447910 1412783469 /nfs/dbraw/zinc/78/34/69/1412783469.db2.gz SFJTURLMBNTRGX-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447910 1412783472 /nfs/dbraw/zinc/78/34/72/1412783472.db2.gz SFJTURLMBNTRGX-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CCCC1 ZINC001700755906 1414426872 /nfs/dbraw/zinc/42/68/72/1414426872.db2.gz WGZLTKZQGSCCMK-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H]([NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C)c1ccccc1 ZINC001700995350 1414643016 /nfs/dbraw/zinc/64/30/16/1414643016.db2.gz PABUQWQUXKPXGD-IRXDYDNUSA-N 2 2 342.487 3.224 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001732607581 1428864196 /nfs/dbraw/zinc/86/41/96/1428864196.db2.gz KWMSESMKSDXYOQ-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001732607581 1428864204 /nfs/dbraw/zinc/86/42/04/1428864204.db2.gz KWMSESMKSDXYOQ-QZTJIDSGSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001713263515 1417871614 /nfs/dbraw/zinc/87/16/14/1417871614.db2.gz QHUFPSYXBHNULW-RTBURBONSA-N 2 2 346.519 3.407 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001713383274 1417993798 /nfs/dbraw/zinc/99/37/98/1417993798.db2.gz XUMPNKSINNQDKH-RTBURBONSA-N 2 2 346.519 3.261 20 0 EGADLP CC1(C)CCC(C[N@H+](CCNC(=O)CCc2c[nH]c[nH+]2)C2CC2)CC1 ZINC001713558003 1418351998 /nfs/dbraw/zinc/35/19/98/1418351998.db2.gz VBJQLWFWLYNFEA-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@@H+](CCNC(=O)CCc2c[nH]c[nH+]2)C2CC2)CC1 ZINC001713558003 1418352001 /nfs/dbraw/zinc/35/20/01/1418352001.db2.gz VBJQLWFWLYNFEA-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)C2CC2)CC1 ZINC001713558003 1418352007 /nfs/dbraw/zinc/35/20/07/1418352007.db2.gz VBJQLWFWLYNFEA-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)C2CC2)CC1 ZINC001713558003 1418352010 /nfs/dbraw/zinc/35/20/10/1418352010.db2.gz VBJQLWFWLYNFEA-UHFFFAOYSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]([NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001713605974 1418391535 /nfs/dbraw/zinc/39/15/35/1418391535.db2.gz VBIYBIGHAZAERA-QGZVFWFLSA-N 2 2 336.439 3.376 20 0 EGADLP CC[C@@H](C(=O)NC1C[NH+]([C@@H](CC)c2ccc(F)cc2)C1)[NH+](CC)CC ZINC001713840523 1418637615 /nfs/dbraw/zinc/63/76/15/1418637615.db2.gz XZYCFVGZMWCBIJ-OALUTQOASA-N 2 2 349.494 3.198 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145709 1418950023 /nfs/dbraw/zinc/95/00/23/1418950023.db2.gz RFMOSTVUPUEBJZ-OALUTQOASA-N 2 2 346.519 3.309 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145709 1418950025 /nfs/dbraw/zinc/95/00/25/1418950025.db2.gz RFMOSTVUPUEBJZ-OALUTQOASA-N 2 2 346.519 3.309 20 0 EGADLP O=C(NCCC1CC[NH+](CCC2CC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001714327232 1419105927 /nfs/dbraw/zinc/10/59/27/1419105927.db2.gz PNNRMBPENCRDFQ-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@@H](CC(=O)NCC[N@H+](C)CCC1CCCCCC1)n1cc[nH+]c1 ZINC001714563237 1419291389 /nfs/dbraw/zinc/29/13/89/1419291389.db2.gz GCYSAODVDRNFCJ-KRWDZBQOSA-N 2 2 334.508 3.243 20 0 EGADLP C[C@@H](CC(=O)NCC[N@@H+](C)CCC1CCCCCC1)n1cc[nH+]c1 ZINC001714563237 1419291390 /nfs/dbraw/zinc/29/13/90/1419291390.db2.gz GCYSAODVDRNFCJ-KRWDZBQOSA-N 2 2 334.508 3.243 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715664517 1420285267 /nfs/dbraw/zinc/28/52/67/1420285267.db2.gz WJCPSUHCGIYIGZ-GUYCJALGSA-N 2 2 348.878 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715703746 1420302508 /nfs/dbraw/zinc/30/25/08/1420302508.db2.gz SGVMTQUQKILRTK-STQMWFEESA-N 2 2 348.878 3.160 20 0 EGADLP C[C@@]1(C[NH2+]CC2CCCCC2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716881371 1421005562 /nfs/dbraw/zinc/00/55/62/1421005562.db2.gz HTOXRLIOZREKCR-FQEVSTJZSA-N 2 2 346.519 3.072 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001733341615 1429525088 /nfs/dbraw/zinc/52/50/88/1429525088.db2.gz DVLKGVZNTVTAKF-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170407 1425678870 /nfs/dbraw/zinc/67/88/70/1425678870.db2.gz BXIQJBSMXYNLIL-LSDHHAIUSA-N 2 2 330.476 3.295 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170407 1425678874 /nfs/dbraw/zinc/67/88/74/1425678874.db2.gz BXIQJBSMXYNLIL-LSDHHAIUSA-N 2 2 330.476 3.295 20 0 EGADLP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001731297939 1427240502 /nfs/dbraw/zinc/24/05/02/1427240502.db2.gz VFHMVUKOLDQIMN-NVXWUHKLSA-N 2 2 340.471 3.107 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396437 1427351923 /nfs/dbraw/zinc/35/19/23/1427351923.db2.gz OMFYBMFHZAYRLP-IFXJQAMLSA-N 2 2 342.487 3.343 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731850569 1428079011 /nfs/dbraw/zinc/07/90/11/1428079011.db2.gz OBWNMTJLHUATCR-MRXNPFEDSA-N 2 2 342.487 3.212 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001731850569 1428079021 /nfs/dbraw/zinc/07/90/21/1428079021.db2.gz OBWNMTJLHUATCR-MRXNPFEDSA-N 2 2 342.487 3.212 20 0 EGADLP CC[N@H+](C[C@H](C)CC(C)C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001733920442 1437734524 /nfs/dbraw/zinc/73/45/24/1437734524.db2.gz JGQDKCYMHOCEOE-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@@H+](C[C@H](C)CC(C)C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001733920442 1437734525 /nfs/dbraw/zinc/73/45/25/1437734525.db2.gz JGQDKCYMHOCEOE-QGZVFWFLSA-N 2 2 348.535 3.195 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001734104243 1437890120 /nfs/dbraw/zinc/89/01/20/1437890120.db2.gz QSFJFYPLUUZWAI-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001734104243 1437890122 /nfs/dbraw/zinc/89/01/22/1437890122.db2.gz QSFJFYPLUUZWAI-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752576497 1440195661 /nfs/dbraw/zinc/19/56/61/1440195661.db2.gz OZHVZXMSIGTBGX-SLXDBMQSSA-N 2 2 332.492 3.017 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837130 1440228248 /nfs/dbraw/zinc/22/82/48/1440228248.db2.gz RBBPBQXJSCQLIY-IAGOWNOFSA-N 2 2 347.503 3.040 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752837130 1440228249 /nfs/dbraw/zinc/22/82/49/1440228249.db2.gz RBBPBQXJSCQLIY-IAGOWNOFSA-N 2 2 347.503 3.040 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001753009177 1440266494 /nfs/dbraw/zinc/26/64/94/1440266494.db2.gz DJNWIRADPXZJGR-CQSZACIVSA-N 2 2 345.512 3.409 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001753029989 1440272414 /nfs/dbraw/zinc/27/24/14/1440272414.db2.gz NDWWRZXXXXZUJC-GOSISDBHSA-N 2 2 346.519 3.254 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001753029989 1440272415 /nfs/dbraw/zinc/27/24/15/1440272415.db2.gz NDWWRZXXXXZUJC-GOSISDBHSA-N 2 2 346.519 3.254 20 0 EGADLP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753288262 1440349475 /nfs/dbraw/zinc/34/94/75/1440349475.db2.gz KDFBDKWWDBTHIW-UTCJRWHESA-N 2 2 334.851 3.146 20 0 EGADLP CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753288262 1440349476 /nfs/dbraw/zinc/34/94/76/1440349476.db2.gz KDFBDKWWDBTHIW-UTCJRWHESA-N 2 2 334.851 3.146 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586491 1440441358 /nfs/dbraw/zinc/44/13/58/1440441358.db2.gz QODXYUXNXWPADZ-KBAYOESNSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001753586491 1440441359 /nfs/dbraw/zinc/44/13/59/1440441359.db2.gz QODXYUXNXWPADZ-KBAYOESNSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)C1 ZINC001753669570 1440461537 /nfs/dbraw/zinc/46/15/37/1440461537.db2.gz WXCHGZXWYZGKKA-DLBZAZTESA-N 2 2 346.519 3.187 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753714661 1440471451 /nfs/dbraw/zinc/47/14/51/1440471451.db2.gz GTKHXJNMMKIYAE-UONOGXRCSA-N 2 2 348.516 3.149 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566747 1440635906 /nfs/dbraw/zinc/63/59/06/1440635906.db2.gz BLCJHLFOZAOKAG-UYAOXDASSA-N 2 2 346.519 3.339 20 0 EGADLP CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001754566747 1440635907 /nfs/dbraw/zinc/63/59/07/1440635907.db2.gz BLCJHLFOZAOKAG-UYAOXDASSA-N 2 2 346.519 3.339 20 0 EGADLP CC(C)CCC[NH+]1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001754576587 1440637722 /nfs/dbraw/zinc/63/77/22/1440637722.db2.gz QVWIAFNJHRAYNA-UHFFFAOYSA-N 2 2 337.533 3.002 20 0 EGADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CC2CCCCCC2)C1 ZINC001754685526 1440664990 /nfs/dbraw/zinc/66/49/90/1440664990.db2.gz MKLHATHNSUBELK-HXUWFJFHSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CC2CCCCCC2)C1 ZINC001754685526 1440664991 /nfs/dbraw/zinc/66/49/91/1440664991.db2.gz MKLHATHNSUBELK-HXUWFJFHSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001754709254 1440669862 /nfs/dbraw/zinc/66/98/62/1440669862.db2.gz YOKJCGFVOCSKOW-PKOBYXMFSA-N 2 2 334.508 3.099 20 0 EGADLP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001754830122 1440694581 /nfs/dbraw/zinc/69/45/81/1440694581.db2.gz FQENACPSWYLIIH-NYJIPHJOSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001754830122 1440694582 /nfs/dbraw/zinc/69/45/82/1440694582.db2.gz FQENACPSWYLIIH-NYJIPHJOSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001754830122 1440694583 /nfs/dbraw/zinc/69/45/83/1440694583.db2.gz FQENACPSWYLIIH-NYJIPHJOSA-N 2 2 344.503 3.058 20 0 EGADLP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001754830122 1440694584 /nfs/dbraw/zinc/69/45/84/1440694584.db2.gz FQENACPSWYLIIH-NYJIPHJOSA-N 2 2 344.503 3.058 20 0 EGADLP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871830 1440705427 /nfs/dbraw/zinc/70/54/27/1440705427.db2.gz MVIQKCMCHLJJMH-MOPGFXCFSA-N 2 2 346.519 3.309 20 0 EGADLP CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871830 1440705428 /nfs/dbraw/zinc/70/54/28/1440705428.db2.gz MVIQKCMCHLJJMH-MOPGFXCFSA-N 2 2 346.519 3.309 20 0 EGADLP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754923028 1440709610 /nfs/dbraw/zinc/70/96/10/1440709610.db2.gz DWMUNUKXNSPPGM-IRXDYDNUSA-N 2 2 335.467 3.197 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029782 1440730843 /nfs/dbraw/zinc/73/08/43/1440730843.db2.gz QKKLRJYUDCZARE-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029782 1440730844 /nfs/dbraw/zinc/73/08/44/1440730844.db2.gz QKKLRJYUDCZARE-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755029782 1440730845 /nfs/dbraw/zinc/73/08/45/1440730845.db2.gz QKKLRJYUDCZARE-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755029782 1440730846 /nfs/dbraw/zinc/73/08/46/1440730846.db2.gz QKKLRJYUDCZARE-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046609 1440741301 /nfs/dbraw/zinc/74/13/01/1440741301.db2.gz GEJXVYDNCMVVKV-ZWKOTPCHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046609 1440741302 /nfs/dbraw/zinc/74/13/02/1440741302.db2.gz GEJXVYDNCMVVKV-ZWKOTPCHSA-N 2 2 346.519 3.093 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001755274780 1440798704 /nfs/dbraw/zinc/79/87/04/1440798704.db2.gz IOADOYSLWGIYKS-UHFFFAOYSA-N 2 2 346.519 3.213 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307398 1440811554 /nfs/dbraw/zinc/81/15/54/1440811554.db2.gz DVYHRLRMJWWLSR-WLMCBFPDSA-N 2 2 328.460 3.131 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307398 1440811555 /nfs/dbraw/zinc/81/15/55/1440811555.db2.gz DVYHRLRMJWWLSR-WLMCBFPDSA-N 2 2 328.460 3.131 20 0 EGADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1C[NH+](CCCC(C)(C)C)C1 ZINC001755383568 1440839999 /nfs/dbraw/zinc/83/99/99/1440839999.db2.gz VXXLOELTDLZTJF-OAHLLOKOSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC(C)CC1 ZINC001755595615 1440882625 /nfs/dbraw/zinc/88/26/25/1440882625.db2.gz SVXLPEMHHIGIBA-AQFXKWCLSA-N 2 2 342.487 3.211 20 0 EGADLP CCc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755607181 1440885950 /nfs/dbraw/zinc/88/59/50/1440885950.db2.gz QHXQFDPXBXOHGP-DLBZAZTESA-N 2 2 342.487 3.033 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C)ccn12 ZINC001755822373 1440926082 /nfs/dbraw/zinc/92/60/82/1440926082.db2.gz QFQRQEDJMFRLFW-CZUORRHYSA-N 2 2 348.466 3.125 20 0 EGADLP C[C@H](CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)n1cc[nH+]c1 ZINC001755833979 1440929599 /nfs/dbraw/zinc/92/95/99/1440929599.db2.gz TWBPHGUDIBYKEQ-SJLPKXTDSA-N 2 2 346.519 3.455 20 0 EGADLP COc1ccc(C)[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859272 720958592 /nfs/dbraw/zinc/95/85/92/720958592.db2.gz LXFLLSYUUNFFEP-OAHLLOKOSA-N 2 2 343.475 3.017 20 0 EGADLP COc1ccc(C)[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859272 720958600 /nfs/dbraw/zinc/95/86/00/720958600.db2.gz LXFLLSYUUNFFEP-OAHLLOKOSA-N 2 2 343.475 3.017 20 0 EGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048089 721974683 /nfs/dbraw/zinc/97/46/83/721974683.db2.gz IYEJNGSXWCYVLJ-KRWDZBQOSA-N 2 2 330.476 3.193 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132539 168315805 /nfs/dbraw/zinc/31/58/05/168315805.db2.gz FXPWWSFPFOFSAN-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132539 168315806 /nfs/dbraw/zinc/31/58/06/168315806.db2.gz FXPWWSFPFOFSAN-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132539 168315808 /nfs/dbraw/zinc/31/58/08/168315808.db2.gz FXPWWSFPFOFSAN-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000368132539 168315810 /nfs/dbraw/zinc/31/58/10/168315810.db2.gz FXPWWSFPFOFSAN-ZBFHGGJFSA-N 2 2 338.879 3.273 20 0 EGADLP CC[C@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC[NH2+]1 ZINC000184156524 529387960 /nfs/dbraw/zinc/38/79/60/529387960.db2.gz RXGCNRACBBSOPF-HXUWFJFHSA-N 2 2 338.455 3.357 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)oc21 ZINC000181782558 234321878 /nfs/dbraw/zinc/32/18/78/234321878.db2.gz QVDDRZGHAZVYDX-CABCVRRESA-N 2 2 332.444 3.060 20 0 EGADLP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129751198 223087630 /nfs/dbraw/zinc/08/76/30/223087630.db2.gz SDUXYFPGLNYEDH-GJYPPUQNSA-N 2 2 336.443 3.108 20 0 EGADLP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129751198 223087634 /nfs/dbraw/zinc/08/76/34/223087634.db2.gz SDUXYFPGLNYEDH-GJYPPUQNSA-N 2 2 336.443 3.108 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000072809316 216309485 /nfs/dbraw/zinc/30/94/85/216309485.db2.gz GWFXGEALBHTDEF-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000072809316 216309486 /nfs/dbraw/zinc/30/94/86/216309486.db2.gz GWFXGEALBHTDEF-IRXDYDNUSA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859978 216318850 /nfs/dbraw/zinc/31/88/50/216318850.db2.gz ALDXVDWFZIEYAQ-IBGZPJMESA-N 2 2 343.515 3.086 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859978 216318852 /nfs/dbraw/zinc/31/88/52/216318852.db2.gz ALDXVDWFZIEYAQ-IBGZPJMESA-N 2 2 343.515 3.086 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859978 216318855 /nfs/dbraw/zinc/31/88/55/216318855.db2.gz ALDXVDWFZIEYAQ-IBGZPJMESA-N 2 2 343.515 3.086 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000072859978 216318858 /nfs/dbraw/zinc/31/88/58/216318858.db2.gz ALDXVDWFZIEYAQ-IBGZPJMESA-N 2 2 343.515 3.086 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837564 239330310 /nfs/dbraw/zinc/33/03/10/239330310.db2.gz TXLCLIPCDBQXNN-GHTZIAJQSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837564 239330314 /nfs/dbraw/zinc/33/03/14/239330314.db2.gz TXLCLIPCDBQXNN-GHTZIAJQSA-N 2 2 339.483 3.332 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(F)ccc(Br)c3F)C[C@@H]21 ZINC000230320268 242257742 /nfs/dbraw/zinc/25/77/42/242257742.db2.gz MAILBGROAWLYHE-PKFCDNJMSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)ccc(Br)c3F)C[C@@H]21 ZINC000230320268 242257757 /nfs/dbraw/zinc/25/77/57/242257757.db2.gz MAILBGROAWLYHE-PKFCDNJMSA-N 2 2 345.231 3.287 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231670733 242269960 /nfs/dbraw/zinc/26/99/60/242269960.db2.gz FYQMFDSIBMPUMA-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231670733 242269965 /nfs/dbraw/zinc/26/99/65/242269965.db2.gz FYQMFDSIBMPUMA-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cccs1 ZINC000345305331 299415796 /nfs/dbraw/zinc/41/57/96/299415796.db2.gz PKXCLEBSVCRHHK-XAYKYTGQSA-N 2 2 344.484 3.027 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccs1 ZINC000110113623 220018077 /nfs/dbraw/zinc/01/80/77/220018077.db2.gz NGQIVOZAIYFYHA-AWEZNQCLSA-N 2 2 331.489 3.243 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000111197647 220108235 /nfs/dbraw/zinc/10/82/35/220108235.db2.gz XDYHHXJXPSTLSN-UHFFFAOYSA-N 2 2 338.377 3.136 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000111197647 220108237 /nfs/dbraw/zinc/10/82/37/220108237.db2.gz XDYHHXJXPSTLSN-UHFFFAOYSA-N 2 2 338.377 3.136 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000080723107 217328382 /nfs/dbraw/zinc/32/83/82/217328382.db2.gz HYOZDNOGIVNDDA-UHFFFAOYSA-N 2 2 346.393 3.426 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)ccc1OC(F)F ZINC000151121394 223781615 /nfs/dbraw/zinc/78/16/15/223781615.db2.gz AYNVWEUQTIALPV-LBPRGKRZSA-N 2 2 325.359 3.234 20 0 EGADLP Cc1[nH+]ccn1CCCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000266191060 248160319 /nfs/dbraw/zinc/16/03/19/248160319.db2.gz BKYOXVFJRBXLQA-UHFFFAOYSA-N 2 2 347.426 3.213 20 0 EGADLP C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000266471469 248317237 /nfs/dbraw/zinc/31/72/37/248317237.db2.gz UVYZKJMDPMCNCF-CQSZACIVSA-N 2 2 328.416 3.336 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000377562297 169042471 /nfs/dbraw/zinc/04/24/71/169042471.db2.gz KLRYXLGPYHXAEZ-CQSZACIVSA-N 2 2 333.819 3.145 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000377562297 169042472 /nfs/dbraw/zinc/04/24/72/169042472.db2.gz KLRYXLGPYHXAEZ-CQSZACIVSA-N 2 2 333.819 3.145 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000378186123 169082051 /nfs/dbraw/zinc/08/20/51/169082051.db2.gz VYSPWVYRYWJYPW-WMLDXEAASA-N 2 2 343.471 3.307 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000091632111 218036798 /nfs/dbraw/zinc/03/67/98/218036798.db2.gz NGFWHLVZFSFNQJ-SQWLQELKSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000091632111 218036800 /nfs/dbraw/zinc/03/68/00/218036800.db2.gz NGFWHLVZFSFNQJ-SQWLQELKSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000091632111 218036802 /nfs/dbraw/zinc/03/68/02/218036802.db2.gz NGFWHLVZFSFNQJ-SQWLQELKSA-N 2 2 332.444 3.076 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000091632111 218036804 /nfs/dbraw/zinc/03/68/04/218036804.db2.gz NGFWHLVZFSFNQJ-SQWLQELKSA-N 2 2 332.444 3.076 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000112173952 220255393 /nfs/dbraw/zinc/25/53/93/220255393.db2.gz UBKMFDHNKTVFJB-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000112173952 220255395 /nfs/dbraw/zinc/25/53/95/220255395.db2.gz UBKMFDHNKTVFJB-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000092043755 218109419 /nfs/dbraw/zinc/10/94/19/218109419.db2.gz KXNVKMDYCWFUAB-NHCUHLMSSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000092043755 218109421 /nfs/dbraw/zinc/10/94/21/218109421.db2.gz KXNVKMDYCWFUAB-NHCUHLMSSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000092043755 218109423 /nfs/dbraw/zinc/10/94/23/218109423.db2.gz KXNVKMDYCWFUAB-NHCUHLMSSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000092043755 218109424 /nfs/dbraw/zinc/10/94/24/218109424.db2.gz KXNVKMDYCWFUAB-NHCUHLMSSA-N 2 2 338.499 3.390 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072594 218114365 /nfs/dbraw/zinc/11/43/65/218114365.db2.gz RNHWHEHFSJFFGW-ZDUSSCGKSA-N 2 2 325.391 3.319 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072594 218114367 /nfs/dbraw/zinc/11/43/67/218114367.db2.gz RNHWHEHFSJFFGW-ZDUSSCGKSA-N 2 2 325.391 3.319 20 0 EGADLP COCCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066839 218115219 /nfs/dbraw/zinc/11/52/19/218115219.db2.gz YKHAZTFTIZWESP-YLJYHZDGSA-N 2 2 344.499 3.161 20 0 EGADLP COCCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066839 218115222 /nfs/dbraw/zinc/11/52/22/218115222.db2.gz YKHAZTFTIZWESP-YLJYHZDGSA-N 2 2 344.499 3.161 20 0 EGADLP COCCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066839 218115224 /nfs/dbraw/zinc/11/52/24/218115224.db2.gz YKHAZTFTIZWESP-YLJYHZDGSA-N 2 2 344.499 3.161 20 0 EGADLP COCCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066839 218115226 /nfs/dbraw/zinc/11/52/26/218115226.db2.gz YKHAZTFTIZWESP-YLJYHZDGSA-N 2 2 344.499 3.161 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000010352554 211166839 /nfs/dbraw/zinc/16/68/39/211166839.db2.gz DPUCRBUYLSIGPN-UHFFFAOYSA-N 2 2 342.462 3.345 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)CC1 ZINC000093133345 218196240 /nfs/dbraw/zinc/19/62/40/218196240.db2.gz UPOKPPIKPKLOON-HNNXBMFYSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)CC1 ZINC000093133345 218196242 /nfs/dbraw/zinc/19/62/42/218196242.db2.gz UPOKPPIKPKLOON-HNNXBMFYSA-N 2 2 342.314 3.205 20 0 EGADLP CCn1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318098 218213590 /nfs/dbraw/zinc/21/35/90/218213590.db2.gz WDFDOGSSYYBKQI-YLJYHZDGSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318098 218213593 /nfs/dbraw/zinc/21/35/93/218213593.db2.gz WDFDOGSSYYBKQI-YLJYHZDGSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318098 218213595 /nfs/dbraw/zinc/21/35/95/218213595.db2.gz WDFDOGSSYYBKQI-YLJYHZDGSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000093318098 218213597 /nfs/dbraw/zinc/21/35/97/218213597.db2.gz WDFDOGSSYYBKQI-YLJYHZDGSA-N 2 2 326.488 3.388 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093564004 218233493 /nfs/dbraw/zinc/23/34/93/218233493.db2.gz XKUGSTULUQCLQE-MRXNPFEDSA-N 2 2 348.487 3.163 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093564004 218233494 /nfs/dbraw/zinc/23/34/94/218233494.db2.gz XKUGSTULUQCLQE-MRXNPFEDSA-N 2 2 348.487 3.163 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2Br)C1 ZINC000093792677 218249057 /nfs/dbraw/zinc/24/90/57/218249057.db2.gz QHHJCJLWXJCVCR-CQSZACIVSA-N 2 2 341.293 3.102 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2Br)C1 ZINC000093792677 218249059 /nfs/dbraw/zinc/24/90/59/218249059.db2.gz QHHJCJLWXJCVCR-CQSZACIVSA-N 2 2 341.293 3.102 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2Br)C1 ZINC000093792677 218249060 /nfs/dbraw/zinc/24/90/60/218249060.db2.gz QHHJCJLWXJCVCR-CQSZACIVSA-N 2 2 341.293 3.102 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093792677 218249061 /nfs/dbraw/zinc/24/90/61/218249061.db2.gz QHHJCJLWXJCVCR-CQSZACIVSA-N 2 2 341.293 3.102 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770097 218249149 /nfs/dbraw/zinc/24/91/49/218249149.db2.gz GTVAVOQHNMXHEP-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770097 218249150 /nfs/dbraw/zinc/24/91/50/218249150.db2.gz GTVAVOQHNMXHEP-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770097 218249152 /nfs/dbraw/zinc/24/91/52/218249152.db2.gz GTVAVOQHNMXHEP-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093770097 218249153 /nfs/dbraw/zinc/24/91/53/218249153.db2.gz GTVAVOQHNMXHEP-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP Clc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000267395968 251019787 /nfs/dbraw/zinc/01/97/87/251019787.db2.gz OJUVYWANXNJIDL-AWEZNQCLSA-N 2 2 331.847 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473154 251090109 /nfs/dbraw/zinc/09/01/09/251090109.db2.gz YLKFAOAKQJKQHB-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000267473154 251090112 /nfs/dbraw/zinc/09/01/12/251090112.db2.gz YLKFAOAKQJKQHB-CVEARBPZSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F)C[NH+]1CCOCC1 ZINC000153330061 224088822 /nfs/dbraw/zinc/08/88/22/224088822.db2.gz RVGNTSGKPWWHLX-STQMWFEESA-N 2 2 346.393 3.046 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830096 252278083 /nfs/dbraw/zinc/27/80/83/252278083.db2.gz KEJDPZMSYHFCGI-GJYPPUQNSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000268830096 252278087 /nfs/dbraw/zinc/27/80/87/252278087.db2.gz KEJDPZMSYHFCGI-GJYPPUQNSA-N 2 2 338.499 3.179 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000268829814 252278735 /nfs/dbraw/zinc/27/87/35/252278735.db2.gz SAIQJEYHCOITHD-INIZCTEOSA-N 3 2 330.501 3.006 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000268866412 252314421 /nfs/dbraw/zinc/31/44/21/252314421.db2.gz SWNIFRGTZRYDKE-HOCLYGCPSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000268866412 252314425 /nfs/dbraw/zinc/31/44/25/252314425.db2.gz SWNIFRGTZRYDKE-HOCLYGCPSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000153541666 224119411 /nfs/dbraw/zinc/11/94/11/224119411.db2.gz GJDIDJORESJGSM-QZTJIDSGSA-N 2 2 334.529 3.211 20 0 EGADLP C[C@H](CCSc1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000153541666 224119412 /nfs/dbraw/zinc/11/94/12/224119412.db2.gz GJDIDJORESJGSM-QZTJIDSGSA-N 2 2 334.529 3.211 20 0 EGADLP Cc1ncc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000097236840 219002977 /nfs/dbraw/zinc/00/29/77/219002977.db2.gz FXIOSHSCCZEFLH-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1ncc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1-c1ccccc1 ZINC000097236840 219002980 /nfs/dbraw/zinc/00/29/80/219002980.db2.gz FXIOSHSCCZEFLH-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112627092 220358842 /nfs/dbraw/zinc/35/88/42/220358842.db2.gz HMBOKRJXZYVVFU-INIZCTEOSA-N 2 2 325.412 3.088 20 0 EGADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112627092 220358844 /nfs/dbraw/zinc/35/88/44/220358844.db2.gz HMBOKRJXZYVVFU-INIZCTEOSA-N 2 2 325.412 3.088 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247569645 296385119 /nfs/dbraw/zinc/38/51/19/296385119.db2.gz GZSLRQBYFVMCQQ-CVEARBPZSA-N 2 2 347.507 3.157 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000247569645 296385122 /nfs/dbraw/zinc/38/51/22/296385122.db2.gz GZSLRQBYFVMCQQ-CVEARBPZSA-N 2 2 347.507 3.157 20 0 EGADLP COc1c(Br)cccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000187169028 533384335 /nfs/dbraw/zinc/38/43/35/533384335.db2.gz XLHOGCMQQBATDU-GFCCVEGCSA-N 2 2 338.249 3.080 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651317 533397145 /nfs/dbraw/zinc/39/71/45/533397145.db2.gz JISIAWTYPRZZEH-CQSZACIVSA-N 2 2 330.432 3.048 20 0 EGADLP CSCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000246614989 141020198 /nfs/dbraw/zinc/02/01/98/141020198.db2.gz FQBNUYSIHRMAPO-CVEARBPZSA-N 2 2 335.517 3.087 20 0 EGADLP CSCC[C@@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000246614989 141020202 /nfs/dbraw/zinc/02/02/02/141020202.db2.gz FQBNUYSIHRMAPO-CVEARBPZSA-N 2 2 335.517 3.087 20 0 EGADLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H]1C ZINC000337858238 141067942 /nfs/dbraw/zinc/06/79/42/141067942.db2.gz ZOBCZHQKSHLLAB-HOTGVXAUSA-N 2 2 339.439 3.429 20 0 EGADLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@@H]1C ZINC000337858238 141067943 /nfs/dbraw/zinc/06/79/43/141067943.db2.gz ZOBCZHQKSHLLAB-HOTGVXAUSA-N 2 2 339.439 3.429 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CN(Cc3ccccc3)C[C@H]1C)CCC2 ZINC000344529297 141169355 /nfs/dbraw/zinc/16/93/55/141169355.db2.gz CDZVNBTWCKNZEM-UXPWSPDFSA-N 2 2 338.499 3.179 20 0 EGADLP CC(C)OCCC[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346199670 141178841 /nfs/dbraw/zinc/17/88/41/141178841.db2.gz GQBIFZMIPWUMCE-UHFFFAOYSA-N 2 2 325.522 3.157 20 0 EGADLP CC(C)OCCC[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000346199670 141178843 /nfs/dbraw/zinc/17/88/43/141178843.db2.gz GQBIFZMIPWUMCE-UHFFFAOYSA-N 2 2 325.522 3.157 20 0 EGADLP CC(C)OCCC[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346199670 141178846 /nfs/dbraw/zinc/17/88/46/141178846.db2.gz GQBIFZMIPWUMCE-UHFFFAOYSA-N 2 2 325.522 3.157 20 0 EGADLP CC(C)OCCC[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346199670 141178847 /nfs/dbraw/zinc/17/88/47/141178847.db2.gz GQBIFZMIPWUMCE-UHFFFAOYSA-N 2 2 325.522 3.157 20 0 EGADLP C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3Oc3cc[nH+]cc3)C2)C1 ZINC000346288698 141192553 /nfs/dbraw/zinc/19/25/53/141192553.db2.gz BRCUPNINAFQPNF-FQEVSTJZSA-N 2 2 337.423 3.042 20 0 EGADLP C[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3Oc3cc[nH+]cc3)C2)C1 ZINC000346288698 141192555 /nfs/dbraw/zinc/19/25/55/141192555.db2.gz BRCUPNINAFQPNF-FQEVSTJZSA-N 2 2 337.423 3.042 20 0 EGADLP CCCCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346484083 141204394 /nfs/dbraw/zinc/20/43/94/141204394.db2.gz FDHYEOXZDXFTHL-INIZCTEOSA-N 2 2 328.460 3.172 20 0 EGADLP C[N@H+]1CC=C(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346633355 141208293 /nfs/dbraw/zinc/20/82/93/141208293.db2.gz YVKALJAEDUYIIU-LJQANCHMSA-N 2 2 329.394 3.301 20 0 EGADLP C[N@@H+]1CC=C(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346633355 141208294 /nfs/dbraw/zinc/20/82/94/141208294.db2.gz YVKALJAEDUYIIU-LJQANCHMSA-N 2 2 329.394 3.301 20 0 EGADLP CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978712 141227528 /nfs/dbraw/zinc/22/75/28/141227528.db2.gz ZJSHNSSFAOCQAC-RDJZCZTQSA-N 2 2 344.434 3.028 20 0 EGADLP CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978712 141227531 /nfs/dbraw/zinc/22/75/31/141227531.db2.gz ZJSHNSSFAOCQAC-RDJZCZTQSA-N 2 2 344.434 3.028 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000352939665 141273154 /nfs/dbraw/zinc/27/31/54/141273154.db2.gz AXLTTWZTXZYONG-UHFFFAOYSA-N 2 2 348.450 3.411 20 0 EGADLP Cc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1F ZINC000352948800 141275406 /nfs/dbraw/zinc/27/54/06/141275406.db2.gz UQYHKBBHEAJLCG-ROUUACIJSA-N 2 2 333.495 3.125 20 0 EGADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000354561419 141306594 /nfs/dbraw/zinc/30/65/94/141306594.db2.gz CBJGDZDLBPHREY-KPFFTGBYSA-N 2 2 331.504 3.402 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000171600056 144007652 /nfs/dbraw/zinc/00/76/52/144007652.db2.gz QCNMZLJFOPDKAF-UHFFFAOYSA-N 2 2 349.276 3.032 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000173615549 144045032 /nfs/dbraw/zinc/04/50/32/144045032.db2.gz GBEFTLNUWYHEFW-CQSZACIVSA-N 2 2 337.895 3.438 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344621607 144200389 /nfs/dbraw/zinc/20/03/89/144200389.db2.gz GHEBXGMYPWVGOF-SUMWQHHRSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344621607 144200391 /nfs/dbraw/zinc/20/03/91/144200391.db2.gz GHEBXGMYPWVGOF-SUMWQHHRSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351475786 144266528 /nfs/dbraw/zinc/26/65/28/144266528.db2.gz JAHCTGIYEHTCPP-XKQJLSEDSA-N 2 2 328.485 3.364 20 0 EGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000351475786 144266530 /nfs/dbraw/zinc/26/65/30/144266530.db2.gz JAHCTGIYEHTCPP-XKQJLSEDSA-N 2 2 328.485 3.364 20 0 EGADLP C[C@H](COCc1ccccc1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000361664487 144346459 /nfs/dbraw/zinc/34/64/59/144346459.db2.gz MRGBMUQIYZSUEJ-GOSISDBHSA-N 2 2 339.483 3.241 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(F)cn3)CC2)cc1 ZINC000341269982 155221707 /nfs/dbraw/zinc/22/17/07/155221707.db2.gz DWAUPEXSFRUTAL-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP Cc1c[nH+]c(CNc2cccc(C[NH+]3CCSCC3)c2C)n1C ZINC000341391881 155265175 /nfs/dbraw/zinc/26/51/75/155265175.db2.gz LEEICMOMTABBHP-UHFFFAOYSA-N 2 2 330.501 3.198 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(-c2cncnc2)c[nH+]1 ZINC000341420657 155282635 /nfs/dbraw/zinc/28/26/35/155282635.db2.gz HSIJAKZJCSHGMQ-UHFFFAOYSA-N 2 2 343.394 3.040 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccccc2)CC1 ZINC000116393545 152058035 /nfs/dbraw/zinc/05/80/35/152058035.db2.gz UJEPQHHWIRNMJQ-OXQOHEQNSA-N 2 2 337.467 3.028 20 0 EGADLP CC(C)CCn1cccc1C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000118951296 152160529 /nfs/dbraw/zinc/16/05/29/152160529.db2.gz DVSIFVNITHFXKU-UHFFFAOYSA-N 3 2 346.563 3.182 20 0 EGADLP FC(F)CN1CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000120831298 152303872 /nfs/dbraw/zinc/30/38/72/152303872.db2.gz YIBBLKMZJVNCLY-SFHVURJKSA-N 2 2 337.458 3.143 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1C ZINC000120922667 152311440 /nfs/dbraw/zinc/31/14/40/152311440.db2.gz ZNAIBUWKEUYDKS-JKSUJKDBSA-N 2 2 328.460 3.298 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1C ZINC000120922667 152311442 /nfs/dbraw/zinc/31/14/42/152311442.db2.gz ZNAIBUWKEUYDKS-JKSUJKDBSA-N 2 2 328.460 3.298 20 0 EGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(CO)c1 ZINC000121152055 152329317 /nfs/dbraw/zinc/32/93/17/152329317.db2.gz MGLXZHTYGYSKDJ-QGZVFWFLSA-N 2 2 335.451 3.317 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc[nH+]cc1C)Cc1ccccc1 ZINC000121328829 152343397 /nfs/dbraw/zinc/34/33/97/152343397.db2.gz CSYWWIWQRRNFGL-GOSISDBHSA-N 2 2 340.471 3.465 20 0 EGADLP COCc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)ccc1OC ZINC000152797939 152511304 /nfs/dbraw/zinc/51/13/04/152511304.db2.gz OPGDUNVPFWCXPA-HNNXBMFYSA-N 2 2 343.471 3.268 20 0 EGADLP c1c(CC[NH2+][C@@H]2CSCCc3ccccc32)[nH+]c2n1CCCC2 ZINC000152807944 152512974 /nfs/dbraw/zinc/51/29/74/152512974.db2.gz PFSQQKYMENUCIN-GOSISDBHSA-N 2 2 327.497 3.382 20 0 EGADLP COC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153975467 152565959 /nfs/dbraw/zinc/56/59/59/152565959.db2.gz CEMDSKLOJHEWJD-IEBWSBKVSA-N 2 2 334.504 3.147 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1OC ZINC000190558369 153148269 /nfs/dbraw/zinc/14/82/69/153148269.db2.gz UGVQQDSQGZZNHS-IAGOWNOFSA-N 2 2 347.503 3.185 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1OC ZINC000190558369 153148273 /nfs/dbraw/zinc/14/82/73/153148273.db2.gz UGVQQDSQGZZNHS-IAGOWNOFSA-N 2 2 347.503 3.185 20 0 EGADLP COc1cccc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000190723559 153156173 /nfs/dbraw/zinc/15/61/73/153156173.db2.gz OWTDVJFDICCAFT-UHFFFAOYSA-N 2 2 325.456 3.017 20 0 EGADLP COc1cccc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)n1 ZINC000190723559 153156179 /nfs/dbraw/zinc/15/61/79/153156179.db2.gz OWTDVJFDICCAFT-UHFFFAOYSA-N 2 2 325.456 3.017 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191514354 153204834 /nfs/dbraw/zinc/20/48/34/153204834.db2.gz SSEFNHNVWOMPDO-YWZLYKJASA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000191514354 153204835 /nfs/dbraw/zinc/20/48/35/153204835.db2.gz SSEFNHNVWOMPDO-YWZLYKJASA-N 2 2 345.437 3.403 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000192136469 153245655 /nfs/dbraw/zinc/24/56/55/153245655.db2.gz GDBILUFBGZNGLM-SFHVURJKSA-N 3 2 349.482 3.369 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000192136469 153245659 /nfs/dbraw/zinc/24/56/59/153245659.db2.gz GDBILUFBGZNGLM-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000192136469 153245663 /nfs/dbraw/zinc/24/56/63/153245663.db2.gz GDBILUFBGZNGLM-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000192136469 153245665 /nfs/dbraw/zinc/24/56/65/153245665.db2.gz GDBILUFBGZNGLM-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000192637410 153253346 /nfs/dbraw/zinc/25/33/46/153253346.db2.gz VYURMKSPEBJEFO-MRXNPFEDSA-N 2 2 330.925 3.243 20 0 EGADLP OCCC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000305179238 154089370 /nfs/dbraw/zinc/08/93/70/154089370.db2.gz VWZWBTKMZSNDFC-OAQYLSRUSA-N 2 2 339.483 3.149 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000310328300 154142147 /nfs/dbraw/zinc/14/21/47/154142147.db2.gz ZOASKAGJUGJSLK-MRXNPFEDSA-N 2 2 326.440 3.068 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000310328300 154142150 /nfs/dbraw/zinc/14/21/50/154142150.db2.gz ZOASKAGJUGJSLK-MRXNPFEDSA-N 2 2 326.440 3.068 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129296 309122572 /nfs/dbraw/zinc/12/25/72/309122572.db2.gz PDWIUMJGLPUDPE-TZMCWYRMSA-N 2 2 326.868 3.164 20 0 EGADLP CC[N@H+](CCCNC(=O)c1ccccc1CC[NH2+]C)c1ccccc1 ZINC000327935130 154188707 /nfs/dbraw/zinc/18/87/07/154188707.db2.gz GXMAAOXIRJQRPS-UHFFFAOYSA-N 2 2 339.483 3.095 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1ccccc1CC[NH2+]C)c1ccccc1 ZINC000327935130 154188708 /nfs/dbraw/zinc/18/87/08/154188708.db2.gz GXMAAOXIRJQRPS-UHFFFAOYSA-N 2 2 339.483 3.095 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000336725072 154211658 /nfs/dbraw/zinc/21/16/58/154211658.db2.gz MPGFGEZSRKRKOI-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000336725072 154211660 /nfs/dbraw/zinc/21/16/60/154211660.db2.gz MPGFGEZSRKRKOI-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP COCC[N@H+](C)CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337332931 154288944 /nfs/dbraw/zinc/28/89/44/154288944.db2.gz IRYIWSDMFLRSQC-UHFFFAOYSA-N 2 2 348.437 3.265 20 0 EGADLP COCC[N@@H+](C)CC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337332931 154288948 /nfs/dbraw/zinc/28/89/48/154288948.db2.gz IRYIWSDMFLRSQC-UHFFFAOYSA-N 2 2 348.437 3.265 20 0 EGADLP Cc1c[nH+]c(CN[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)n1C ZINC000341007474 155123484 /nfs/dbraw/zinc/12/34/84/155123484.db2.gz KLLZKLGOYQBUEI-IBGZPJMESA-N 2 2 340.515 3.291 20 0 EGADLP Cc1c[nH+]c(CN[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)n1C ZINC000341007474 155123485 /nfs/dbraw/zinc/12/34/85/155123485.db2.gz KLLZKLGOYQBUEI-IBGZPJMESA-N 2 2 340.515 3.291 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2c1 ZINC000341037224 155127276 /nfs/dbraw/zinc/12/72/76/155127276.db2.gz ARCKDSANFDVMPS-XLIONFOSSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2c1 ZINC000341037224 155127278 /nfs/dbraw/zinc/12/72/78/155127278.db2.gz ARCKDSANFDVMPS-XLIONFOSSA-N 2 2 349.482 3.038 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000347017503 156250885 /nfs/dbraw/zinc/25/08/85/156250885.db2.gz DQIOVJGYECUTHT-SKDRFNHKSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@@H]1[NH3+] ZINC000347017503 156250888 /nfs/dbraw/zinc/25/08/88/156250888.db2.gz DQIOVJGYECUTHT-SKDRFNHKSA-N 2 2 349.219 3.220 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](CCC)CC1)c1ccccc1 ZINC000111240879 162149568 /nfs/dbraw/zinc/14/95/68/162149568.db2.gz BTZSUAJWJIIEEG-HXUWFJFHSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](CCC)CC1)c1ccccc1 ZINC000111240879 162149571 /nfs/dbraw/zinc/14/95/71/162149571.db2.gz BTZSUAJWJIIEEG-HXUWFJFHSA-N 2 2 345.531 3.450 20 0 EGADLP C[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483926 163009443 /nfs/dbraw/zinc/00/94/43/163009443.db2.gz JSERZDPCCJMWMB-SFHLNBCPSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000248483926 163009444 /nfs/dbraw/zinc/00/94/44/163009444.db2.gz JSERZDPCCJMWMB-SFHLNBCPSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@@H+]1C ZINC000248926784 163047005 /nfs/dbraw/zinc/04/70/05/163047005.db2.gz GAQWAEWRBQVARI-KBRIMQKVSA-N 2 2 343.437 3.380 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC[N@H+]1C ZINC000248926784 163047007 /nfs/dbraw/zinc/04/70/07/163047007.db2.gz GAQWAEWRBQVARI-KBRIMQKVSA-N 2 2 343.437 3.380 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000305103179 163073745 /nfs/dbraw/zinc/07/37/45/163073745.db2.gz BZNADYFAGYNULY-ZBFHGGJFSA-N 2 2 332.419 3.191 20 0 EGADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000305110379 163074630 /nfs/dbraw/zinc/07/46/30/163074630.db2.gz FPEDBNLGQDNKAG-BBRMVZONSA-N 2 2 333.501 3.000 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCS[C@@H](C(C)C)C3)c2cc1C ZINC000336878342 163086032 /nfs/dbraw/zinc/08/60/32/163086032.db2.gz DIZAOSBFGOMMDF-QFBILLFUSA-N 2 2 347.528 3.087 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCS[C@@H](C(C)C)C3)c2cc1C ZINC000336878342 163086034 /nfs/dbraw/zinc/08/60/34/163086034.db2.gz DIZAOSBFGOMMDF-QFBILLFUSA-N 2 2 347.528 3.087 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000354350210 166007425 /nfs/dbraw/zinc/00/74/25/166007425.db2.gz ZCEJODMOFHDZIM-FQEVSTJZSA-N 2 2 327.472 3.189 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000354350210 166007427 /nfs/dbraw/zinc/00/74/27/166007427.db2.gz ZCEJODMOFHDZIM-FQEVSTJZSA-N 2 2 327.472 3.189 20 0 EGADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000343761879 164029296 /nfs/dbraw/zinc/02/92/96/164029296.db2.gz ILZUGPYBWZIAOK-PXNSSMCTSA-N 2 2 327.516 3.428 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000343940349 164070691 /nfs/dbraw/zinc/07/06/91/164070691.db2.gz SAQAPEJCEMXGQH-IAGOWNOFSA-N 2 2 327.472 3.131 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000343940349 164070694 /nfs/dbraw/zinc/07/06/94/164070694.db2.gz SAQAPEJCEMXGQH-IAGOWNOFSA-N 2 2 327.472 3.131 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000346096102 164335827 /nfs/dbraw/zinc/33/58/27/164335827.db2.gz OXISIWVCPFRFMB-GOSISDBHSA-N 2 2 325.456 3.201 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc(C)c1OCc1ccccn1 ZINC000346096102 164335830 /nfs/dbraw/zinc/33/58/30/164335830.db2.gz OXISIWVCPFRFMB-GOSISDBHSA-N 2 2 325.456 3.201 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000346327806 164369261 /nfs/dbraw/zinc/36/92/61/164369261.db2.gz IQJLHJXSFVMRBE-WOJBJXKFSA-N 2 2 342.483 3.481 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000346327806 164369263 /nfs/dbraw/zinc/36/92/63/164369263.db2.gz IQJLHJXSFVMRBE-WOJBJXKFSA-N 2 2 342.483 3.481 20 0 EGADLP COCC1(C)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000346355299 164373801 /nfs/dbraw/zinc/37/38/01/164373801.db2.gz OBUGBMFVOOPXJE-UHFFFAOYSA-N 2 2 337.533 3.158 20 0 EGADLP COCC1(C)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000346355299 164373803 /nfs/dbraw/zinc/37/38/03/164373803.db2.gz OBUGBMFVOOPXJE-UHFFFAOYSA-N 2 2 337.533 3.158 20 0 EGADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000344862390 287080946 /nfs/dbraw/zinc/08/09/46/287080946.db2.gz HFISCUJWFPFJON-DOHHPOSVSA-N 2 2 344.503 3.173 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000352052566 165211524 /nfs/dbraw/zinc/21/15/24/165211524.db2.gz MIYFTJHFFRANPW-CRAIPNDOSA-N 2 2 328.460 3.216 20 0 EGADLP CCc1noc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000352430544 165398976 /nfs/dbraw/zinc/39/89/76/165398976.db2.gz HAIMYCLUJJYNQW-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000352430544 165398982 /nfs/dbraw/zinc/39/89/82/165398982.db2.gz HAIMYCLUJJYNQW-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000352430544 165398985 /nfs/dbraw/zinc/39/89/85/165398985.db2.gz HAIMYCLUJJYNQW-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000352430544 165398988 /nfs/dbraw/zinc/39/89/88/165398988.db2.gz HAIMYCLUJJYNQW-RYQLBKOJSA-N 2 2 340.471 3.147 20 0 EGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000352909158 165562440 /nfs/dbraw/zinc/56/24/40/165562440.db2.gz YNBLXMUPNXNGRS-VOMSXAGXSA-N 2 2 333.382 3.492 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc2c(s1)CCC2 ZINC000355126116 166113165 /nfs/dbraw/zinc/11/31/65/166113165.db2.gz TUZVOJWLUFFRFV-ZDUSSCGKSA-N 2 2 328.485 3.346 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000358904017 167000581 /nfs/dbraw/zinc/00/05/81/167000581.db2.gz NQKCSUHHKRNGPT-SWLSCSKDSA-N 2 2 334.261 3.181 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000358908583 167001690 /nfs/dbraw/zinc/00/16/90/167001690.db2.gz AGBVQHOBPGIZNI-SFHVURJKSA-N 2 2 326.431 3.362 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2cccc(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000359037653 167045765 /nfs/dbraw/zinc/04/57/65/167045765.db2.gz GSKGICFIJDFLCV-ZWKOTPCHSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000359037653 167045769 /nfs/dbraw/zinc/04/57/69/167045769.db2.gz GSKGICFIJDFLCV-ZWKOTPCHSA-N 2 2 334.504 3.191 20 0 EGADLP CCC[C@H]1C[NH2+]CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000359205269 167095460 /nfs/dbraw/zinc/09/54/60/167095460.db2.gz FKQWGXVILBNYER-INIZCTEOSA-N 2 2 325.412 3.088 20 0 EGADLP C[NH+]1CCC(CNC(=O)[C@H]2CC23CCCCC3)([NH+]2CCCCC2)CC1 ZINC000360353338 167310048 /nfs/dbraw/zinc/31/00/48/167310048.db2.gz GOSYKLMIQQONDX-GOSISDBHSA-N 2 2 347.547 3.023 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000360546580 167354478 /nfs/dbraw/zinc/35/44/78/167354478.db2.gz NZQLPKPPIUPPHK-GOSISDBHSA-N 2 2 329.469 3.004 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000360546580 167354481 /nfs/dbraw/zinc/35/44/81/167354481.db2.gz NZQLPKPPIUPPHK-GOSISDBHSA-N 2 2 329.469 3.004 20 0 EGADLP Fc1ccccc1CCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000366280220 168102009 /nfs/dbraw/zinc/10/20/09/168102009.db2.gz ILGSGYJCIWJQPW-UHFFFAOYSA-N 2 2 327.447 3.408 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CS1 ZINC000366772612 168138627 /nfs/dbraw/zinc/13/86/27/168138627.db2.gz KVWAJZSYDAUUQN-SJORKVTESA-N 2 2 326.550 3.141 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000367123416 168180973 /nfs/dbraw/zinc/18/09/73/168180973.db2.gz RBGKADKUTMEVRM-LJQANCHMSA-N 3 2 326.488 3.224 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000367123416 168180976 /nfs/dbraw/zinc/18/09/76/168180976.db2.gz RBGKADKUTMEVRM-LJQANCHMSA-N 3 2 326.488 3.224 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccnn2C)c1 ZINC000367341885 168211343 /nfs/dbraw/zinc/21/13/43/168211343.db2.gz IDMMECRDMYGIHY-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccnn2C)c1 ZINC000367341885 168211346 /nfs/dbraw/zinc/21/13/46/168211346.db2.gz IDMMECRDMYGIHY-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000367439840 168225993 /nfs/dbraw/zinc/22/59/93/168225993.db2.gz XNDSXJIAKGLKJX-CHWSQXEVSA-N 2 2 334.851 3.477 20 0 EGADLP Cc1cc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)n2)ccc1F ZINC000158601135 225051078 /nfs/dbraw/zinc/05/10/78/225051078.db2.gz NSSOPIPWBOCWSG-WBVHZDCISA-N 2 2 344.434 3.100 20 0 EGADLP Cc1cc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)n2)ccc1F ZINC000158601135 225051086 /nfs/dbraw/zinc/05/10/86/225051086.db2.gz NSSOPIPWBOCWSG-WBVHZDCISA-N 2 2 344.434 3.100 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000158601135 225051088 /nfs/dbraw/zinc/05/10/88/225051088.db2.gz NSSOPIPWBOCWSG-WBVHZDCISA-N 2 2 344.434 3.100 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)ccc1F ZINC000158601135 225051090 /nfs/dbraw/zinc/05/10/90/225051090.db2.gz NSSOPIPWBOCWSG-WBVHZDCISA-N 2 2 344.434 3.100 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000163818419 226019640 /nfs/dbraw/zinc/01/96/40/226019640.db2.gz MVMLNFKUEUCLAX-HNNXBMFYSA-N 2 2 327.428 3.396 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000178387487 265312407 /nfs/dbraw/zinc/31/24/07/265312407.db2.gz PQDAKPAXPOBPKX-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000178387487 265312412 /nfs/dbraw/zinc/31/24/12/265312412.db2.gz PQDAKPAXPOBPKX-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP CCCC[N@H+](C)CC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000178387487 265312416 /nfs/dbraw/zinc/31/24/16/265312416.db2.gz PQDAKPAXPOBPKX-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000178387487 265312420 /nfs/dbraw/zinc/31/24/20/265312420.db2.gz PQDAKPAXPOBPKX-UHFFFAOYSA-N 2 2 345.535 3.415 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000191452536 265905838 /nfs/dbraw/zinc/90/58/38/265905838.db2.gz NPIZXPAGJXIFGD-CYBMUJFWSA-N 2 2 329.282 3.500 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000191452536 265905842 /nfs/dbraw/zinc/90/58/42/265905842.db2.gz NPIZXPAGJXIFGD-CYBMUJFWSA-N 2 2 329.282 3.500 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000193969737 266079700 /nfs/dbraw/zinc/07/97/00/266079700.db2.gz OUSLPBQLONEYBT-UAFMIMERSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000193969737 266079704 /nfs/dbraw/zinc/07/97/04/266079704.db2.gz OUSLPBQLONEYBT-UAFMIMERSA-N 2 2 326.484 3.198 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2sccc2Cl)CC1 ZINC000194362286 266111031 /nfs/dbraw/zinc/11/10/31/266111031.db2.gz IDXVOABIAHPBRI-GJZGRUSLSA-N 2 2 341.952 3.392 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccccc3C)CC2)CC1 ZINC000271788595 266724951 /nfs/dbraw/zinc/72/49/51/266724951.db2.gz IMINXYRMCALLLY-UHFFFAOYSA-N 2 2 344.499 3.034 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000272272307 266806412 /nfs/dbraw/zinc/80/64/12/266806412.db2.gz NVYAXRCWCKNNHM-JSGCOSHPSA-N 2 2 345.830 3.337 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](C4CCOCC4)CC3)[nH+]c2c1 ZINC000274013832 267164550 /nfs/dbraw/zinc/16/45/50/267164550.db2.gz CMVCFLPTKCBZJT-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP Cc1cncc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000274331896 267219875 /nfs/dbraw/zinc/21/98/75/267219875.db2.gz BELZHCSVKXPXLZ-MRXNPFEDSA-N 2 2 339.487 3.489 20 0 EGADLP Cc1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)c2cccc(F)c2[nH+]1 ZINC000274445202 267239263 /nfs/dbraw/zinc/23/92/63/267239263.db2.gz HNPHOVFBEZTQBT-CQSZACIVSA-N 2 2 330.451 3.120 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000274717893 267276820 /nfs/dbraw/zinc/27/68/20/267276820.db2.gz BORMDEGIRHZHQP-HZPDHXFCSA-N 2 2 347.503 3.185 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000274726982 267277335 /nfs/dbraw/zinc/27/73/35/267277335.db2.gz FZWHLNIKDXUJKI-MRXNPFEDSA-N 2 2 346.519 3.245 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Cl)cn1 ZINC000274745077 267279796 /nfs/dbraw/zinc/27/97/96/267279796.db2.gz ARUHFQZHEFXJPE-VHSSKADRSA-N 2 2 337.895 3.154 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274974821 267313342 /nfs/dbraw/zinc/31/33/42/267313342.db2.gz YLMHNZOONYRMJL-QUCCMNQESA-N 3 2 338.499 3.384 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274974821 267313346 /nfs/dbraw/zinc/31/33/46/267313346.db2.gz YLMHNZOONYRMJL-QUCCMNQESA-N 3 2 338.499 3.384 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000109787736 275179268 /nfs/dbraw/zinc/17/92/68/275179268.db2.gz UEFJAHKPFSGGFU-QGZVFWFLSA-N 2 2 345.531 3.232 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000109787736 275179269 /nfs/dbraw/zinc/17/92/69/275179269.db2.gz UEFJAHKPFSGGFU-QGZVFWFLSA-N 2 2 345.531 3.232 20 0 EGADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000272301643 275244097 /nfs/dbraw/zinc/24/40/97/275244097.db2.gz RIMMQZUYFHUMOE-CRAIPNDOSA-N 2 2 340.471 3.404 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000278937447 275289266 /nfs/dbraw/zinc/28/92/66/275289266.db2.gz LSZXKARAKGMHJF-HSALFYBXSA-N 2 2 338.499 3.201 20 0 EGADLP Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278937447 275289268 /nfs/dbraw/zinc/28/92/68/275289268.db2.gz LSZXKARAKGMHJF-HSALFYBXSA-N 2 2 338.499 3.201 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1 ZINC000283065835 275694973 /nfs/dbraw/zinc/69/49/73/275694973.db2.gz RGCNIMIJZOQBTJ-KRWDZBQOSA-N 2 2 328.460 3.379 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cn1 ZINC000283874301 275757758 /nfs/dbraw/zinc/75/77/58/275757758.db2.gz BZFOTSBVLXNMMA-SFHVURJKSA-N 2 2 334.423 3.449 20 0 EGADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]CCCn3cc[nH+]c3)cn2)cc1 ZINC000285575174 275891113 /nfs/dbraw/zinc/89/11/13/275891113.db2.gz WORMCJXLYQLTFE-UHFFFAOYSA-N 2 2 349.360 3.268 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000286518230 276010929 /nfs/dbraw/zinc/01/09/29/276010929.db2.gz XJRFWEVESNOQDQ-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000286518230 276010931 /nfs/dbraw/zinc/01/09/31/276010931.db2.gz XJRFWEVESNOQDQ-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000286842753 276049215 /nfs/dbraw/zinc/04/92/15/276049215.db2.gz FERLPYXMVPQZDB-XJKSGUPXSA-N 2 2 341.377 3.434 20 0 EGADLP COc1cccc([C@@H](CNC(=O)Nc2c(C)cc[nH+]c2C)[NH+](C)C)c1 ZINC000287531779 276129314 /nfs/dbraw/zinc/12/93/14/276129314.db2.gz NMGLWIGDULOGAH-QGZVFWFLSA-N 2 2 342.443 3.131 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000287582175 276136083 /nfs/dbraw/zinc/13/60/83/276136083.db2.gz QXFHISOVBYNMKI-SFHVURJKSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000287582175 276136084 /nfs/dbraw/zinc/13/60/84/276136084.db2.gz QXFHISOVBYNMKI-SFHVURJKSA-N 2 2 338.455 3.485 20 0 EGADLP CCOC(=O)N1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000079071317 276281907 /nfs/dbraw/zinc/28/19/07/276281907.db2.gz RZJUDJGDJXANPS-LJQANCHMSA-N 2 2 345.487 3.034 20 0 EGADLP CCCn1nc(C)c(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1C ZINC000289145632 276296569 /nfs/dbraw/zinc/29/65/69/276296569.db2.gz AQTOKCBOCAHJNN-UHFFFAOYSA-N 2 2 332.492 3.457 20 0 EGADLP CCCn1nc(C)c(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1C ZINC000289145632 276296570 /nfs/dbraw/zinc/29/65/70/276296570.db2.gz AQTOKCBOCAHJNN-UHFFFAOYSA-N 2 2 332.492 3.457 20 0 EGADLP CCCn1nc(C)c(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1C ZINC000289145632 276296571 /nfs/dbraw/zinc/29/65/71/276296571.db2.gz AQTOKCBOCAHJNN-UHFFFAOYSA-N 2 2 332.492 3.457 20 0 EGADLP CCCn1nc(C)c(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1C ZINC000289145632 276296572 /nfs/dbraw/zinc/29/65/72/276296572.db2.gz AQTOKCBOCAHJNN-UHFFFAOYSA-N 2 2 332.492 3.457 20 0 EGADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391757 276332033 /nfs/dbraw/zinc/33/20/33/276332033.db2.gz NOLYEFXASUPLGF-NEWSRXKRSA-N 2 2 341.503 3.012 20 0 EGADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391757 276332034 /nfs/dbraw/zinc/33/20/34/276332034.db2.gz NOLYEFXASUPLGF-NEWSRXKRSA-N 2 2 341.503 3.012 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000290058103 276440928 /nfs/dbraw/zinc/44/09/28/276440928.db2.gz PDZQGKANIZJXSI-FQEVSTJZSA-N 2 2 332.488 3.373 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517978 288102671 /nfs/dbraw/zinc/10/26/71/288102671.db2.gz FKCXTDCYWDASPV-WYEXVOONSA-N 3 2 347.469 3.110 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373517978 288102674 /nfs/dbraw/zinc/10/26/74/288102674.db2.gz FKCXTDCYWDASPV-WYEXVOONSA-N 3 2 347.469 3.110 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766216 279336499 /nfs/dbraw/zinc/33/64/99/279336499.db2.gz PWWOAJINWCTTHK-CRAIPNDOSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766216 279336503 /nfs/dbraw/zinc/33/65/03/279336503.db2.gz PWWOAJINWCTTHK-CRAIPNDOSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766216 279336504 /nfs/dbraw/zinc/33/65/04/279336504.db2.gz PWWOAJINWCTTHK-CRAIPNDOSA-N 2 2 330.520 3.166 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C(C)(C)C)n1 ZINC000180766216 279336507 /nfs/dbraw/zinc/33/65/07/279336507.db2.gz PWWOAJINWCTTHK-CRAIPNDOSA-N 2 2 330.520 3.166 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157247284 281351439 /nfs/dbraw/zinc/35/14/39/281351439.db2.gz NMAWQBSWRSQZIF-ROUUACIJSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157247284 281351442 /nfs/dbraw/zinc/35/14/42/281351442.db2.gz NMAWQBSWRSQZIF-ROUUACIJSA-N 2 2 329.488 3.272 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000072718512 307381589 /nfs/dbraw/zinc/38/15/89/307381589.db2.gz YAESQAMASYPUNV-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000072718512 307381592 /nfs/dbraw/zinc/38/15/92/307381592.db2.gz YAESQAMASYPUNV-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1 ZINC000088693633 307447303 /nfs/dbraw/zinc/44/73/03/307447303.db2.gz GNACAYLTXLTQHG-HZPDHXFCSA-N 2 2 330.394 3.467 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000125600911 307557388 /nfs/dbraw/zinc/55/73/88/307557388.db2.gz VMEWGTHDYBWMLK-VQIMIIECSA-N 2 2 349.438 3.101 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1csnn1 ZINC000414298001 309071232 /nfs/dbraw/zinc/07/12/32/309071232.db2.gz IITZDYBHDUUYON-PQEBFOHHSA-N 2 2 328.485 3.099 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1csnn1 ZINC000414298001 309071233 /nfs/dbraw/zinc/07/12/33/309071233.db2.gz IITZDYBHDUUYON-PQEBFOHHSA-N 2 2 328.485 3.099 20 0 EGADLP Cc1occc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000414321655 309072719 /nfs/dbraw/zinc/07/27/19/309072719.db2.gz DJZLPEHUXRABTM-AWEZNQCLSA-N 2 2 331.435 3.330 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000414410555 309078390 /nfs/dbraw/zinc/07/83/90/309078390.db2.gz OGGLCXWQXMOVKM-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000414410555 309078391 /nfs/dbraw/zinc/07/83/91/309078391.db2.gz OGGLCXWQXMOVKM-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000414410555 309078392 /nfs/dbraw/zinc/07/83/92/309078392.db2.gz OGGLCXWQXMOVKM-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000414410555 309078393 /nfs/dbraw/zinc/07/83/93/309078393.db2.gz OGGLCXWQXMOVKM-OXJNMPFZSA-N 2 2 342.462 3.236 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292881139 308075723 /nfs/dbraw/zinc/07/57/23/308075723.db2.gz DYAOCFKNHXNMAB-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292881139 308075725 /nfs/dbraw/zinc/07/57/25/308075725.db2.gz DYAOCFKNHXNMAB-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292881139 308075727 /nfs/dbraw/zinc/07/57/27/308075727.db2.gz DYAOCFKNHXNMAB-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292881139 308075729 /nfs/dbraw/zinc/07/57/29/308075729.db2.gz DYAOCFKNHXNMAB-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000414394034 309077592 /nfs/dbraw/zinc/07/75/92/309077592.db2.gz HPIFWCHBSXCCAW-KRWDZBQOSA-N 2 2 342.462 3.238 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000414394034 309077593 /nfs/dbraw/zinc/07/75/93/309077593.db2.gz HPIFWCHBSXCCAW-KRWDZBQOSA-N 2 2 342.462 3.238 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccoc3C)CC2)cc1 ZINC000414461390 309081573 /nfs/dbraw/zinc/08/15/73/309081573.db2.gz DORBXXJNBTUUKQ-UHFFFAOYSA-N 2 2 341.455 3.301 20 0 EGADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000293676170 308151977 /nfs/dbraw/zinc/15/19/77/308151977.db2.gz VCSZFMFQYFMVBK-ZDUSSCGKSA-N 2 2 337.920 3.199 20 0 EGADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000293676170 308151978 /nfs/dbraw/zinc/15/19/78/308151978.db2.gz VCSZFMFQYFMVBK-ZDUSSCGKSA-N 2 2 337.920 3.199 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(OC(F)F)c1 ZINC000293736092 308157177 /nfs/dbraw/zinc/15/71/77/308157177.db2.gz VIUCROGCMSQYLZ-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(OC(F)F)c1 ZINC000293736092 308157179 /nfs/dbraw/zinc/15/71/79/308157179.db2.gz VIUCROGCMSQYLZ-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(OC(F)F)c1 ZINC000293736092 308157181 /nfs/dbraw/zinc/15/71/81/308157181.db2.gz VIUCROGCMSQYLZ-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(OC(F)F)c1 ZINC000293736092 308157182 /nfs/dbraw/zinc/15/71/82/308157182.db2.gz VIUCROGCMSQYLZ-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CC[NH+](CC)[C@@H](c1nc(C[NH2+]C)no1)c1cccc(C(F)(F)F)c1 ZINC000414499490 309084863 /nfs/dbraw/zinc/08/48/63/309084863.db2.gz KACGMZHZKMNTBH-CQSZACIVSA-N 2 2 342.365 3.239 20 0 EGADLP Fc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000294733909 308250934 /nfs/dbraw/zinc/25/09/34/308250934.db2.gz JCSOTZRJABLYEZ-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1 ZINC000294848105 308263779 /nfs/dbraw/zinc/26/37/79/308263779.db2.gz RVCODHJCLDIMQM-KRWDZBQOSA-N 2 2 344.421 3.251 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948969 308275208 /nfs/dbraw/zinc/27/52/08/308275208.db2.gz YIMINYWAGOXIEC-YQQAZPJKSA-N 2 2 343.471 3.309 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294948969 308275210 /nfs/dbraw/zinc/27/52/10/308275210.db2.gz YIMINYWAGOXIEC-YQQAZPJKSA-N 2 2 343.471 3.309 20 0 EGADLP CCC[NH2+][C@H](C)C(=O)N1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000295801586 308361488 /nfs/dbraw/zinc/36/14/88/308361488.db2.gz SSVGBLXLRNLIDM-OAHLLOKOSA-N 2 2 342.487 3.150 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000295895196 308372155 /nfs/dbraw/zinc/37/21/55/308372155.db2.gz IKFPYVDBZFEJRX-IAGOWNOFSA-N 2 2 332.517 3.396 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CCCc1[nH]c3ccccc3[nH+]1)CO2 ZINC000296144097 308398080 /nfs/dbraw/zinc/39/80/80/308398080.db2.gz WLIHHYRCCSIDAI-OAHLLOKOSA-N 2 2 337.423 3.097 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000414782676 309100880 /nfs/dbraw/zinc/10/08/80/309100880.db2.gz IYKCCIWVUKWDMN-AWEZNQCLSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC000414782676 309100881 /nfs/dbraw/zinc/10/08/81/309100881.db2.gz IYKCCIWVUKWDMN-AWEZNQCLSA-N 2 2 329.307 3.395 20 0 EGADLP Cn1cc(C[NH2+]CC[NH2+]C2CCCCCC2)c(-c2ccccc2)n1 ZINC000414797062 309102070 /nfs/dbraw/zinc/10/20/70/309102070.db2.gz APGFTIPBWIHZIP-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414797801 309102163 /nfs/dbraw/zinc/10/21/63/309102163.db2.gz POYHXQHEARFVLU-GOSISDBHSA-N 2 2 326.488 3.298 20 0 EGADLP C[NH2+]CC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1 ZINC000414836307 309104620 /nfs/dbraw/zinc/10/46/20/309104620.db2.gz VZDDKJQSQODJOW-UHFFFAOYSA-N 2 2 338.430 3.296 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc(OC)c1OC ZINC000324483677 308769333 /nfs/dbraw/zinc/76/93/33/308769333.db2.gz JMRVWDSJPQOOLQ-CQSZACIVSA-N 2 2 333.432 3.040 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCCCC1 ZINC000414848997 309105325 /nfs/dbraw/zinc/10/53/25/309105325.db2.gz WXSASFXJJHKIFU-HSALFYBXSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCCC1 ZINC000414848997 309105326 /nfs/dbraw/zinc/10/53/26/309105326.db2.gz WXSASFXJJHKIFU-HSALFYBXSA-N 3 2 327.516 3.148 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C[C@@H]1C ZINC000331760103 308816542 /nfs/dbraw/zinc/81/65/42/308816542.db2.gz AVDVSRVPKKYGPT-QSPRXWTASA-N 2 2 333.476 3.026 20 0 EGADLP Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000332554612 308839604 /nfs/dbraw/zinc/83/96/04/308839604.db2.gz RLDBYQWUZHCUHG-DOTOQJQBSA-N 2 2 345.491 3.114 20 0 EGADLP CCn1cc([C@H]2OCCC[C@H]2[NH2+]CCCc2c[nH+]ccc2C)cn1 ZINC000348177145 308883704 /nfs/dbraw/zinc/88/37/04/308883704.db2.gz UYPLLMYSHFGAJW-RTBURBONSA-N 2 2 328.460 3.049 20 0 EGADLP Brc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Br ZINC000414862740 309106104 /nfs/dbraw/zinc/10/61/04/309106104.db2.gz HPCQLWMOCHHAJJ-JTQLQIEISA-N 2 2 348.082 3.053 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414899725 309108234 /nfs/dbraw/zinc/10/82/34/309108234.db2.gz VDIWFKRZSYZIEV-AWEZNQCLSA-N 2 2 327.266 3.065 20 0 EGADLP COc1sc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000414925992 309109612 /nfs/dbraw/zinc/10/96/12/309109612.db2.gz JNPHOKVXDUPRRG-LBPRGKRZSA-N 2 2 347.322 3.387 20 0 EGADLP COc1cccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c1OC(F)F ZINC000414927149 309109635 /nfs/dbraw/zinc/10/96/35/309109635.db2.gz LHZCCFXVFZLFDL-AWEZNQCLSA-N 2 2 328.403 3.164 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1OCc1ccc(Cl)cc1 ZINC000414943455 309110579 /nfs/dbraw/zinc/11/05/79/309110579.db2.gz LWAODHQXAYEYAO-ZDUSSCGKSA-N 2 2 334.847 3.364 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414948932 309110909 /nfs/dbraw/zinc/11/09/09/309110909.db2.gz MXBYFGNKIODOAH-QFBILLFUSA-N 2 2 332.394 3.209 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414954802 309111246 /nfs/dbraw/zinc/11/12/46/309111246.db2.gz LBXULMKQNITYRP-MRXNPFEDSA-N 2 2 328.504 3.317 20 0 EGADLP FC(F)COc1ccc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414964919 309111815 /nfs/dbraw/zinc/11/18/15/309111815.db2.gz YWXXVJAIUXUBLR-SFHVURJKSA-N 2 2 332.394 3.307 20 0 EGADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000414987158 309112867 /nfs/dbraw/zinc/11/28/67/309112867.db2.gz KIGHLWXQUWUDDD-JTQLQIEISA-N 2 2 325.172 3.295 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)sc2c1 ZINC000415039507 309115942 /nfs/dbraw/zinc/11/59/42/309115942.db2.gz IZHURWYHGSCZRN-CZUORRHYSA-N 2 2 331.485 3.269 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)sc2c1 ZINC000415039507 309115943 /nfs/dbraw/zinc/11/59/43/309115943.db2.gz IZHURWYHGSCZRN-CZUORRHYSA-N 2 2 331.485 3.269 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000415062536 309117799 /nfs/dbraw/zinc/11/77/99/309117799.db2.gz FOWPBANTUXFEKB-KRWDZBQOSA-N 2 2 326.469 3.490 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(Br)cn1 ZINC000415068618 309118030 /nfs/dbraw/zinc/11/80/30/309118030.db2.gz RKYRTFFTSXGQTL-MRXNPFEDSA-N 2 2 334.261 3.196 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000415117802 309121442 /nfs/dbraw/zinc/12/14/42/309121442.db2.gz DHQBBFYGWSDHBF-QGZVFWFLSA-N 2 2 337.427 3.027 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129296 309122571 /nfs/dbraw/zinc/12/25/71/309122571.db2.gz PDWIUMJGLPUDPE-TZMCWYRMSA-N 2 2 326.868 3.164 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C)CC[NH3+])c1 ZINC000415292868 309130143 /nfs/dbraw/zinc/13/01/43/309130143.db2.gz KOLLSYHNZZTVPS-CQSZACIVSA-N 2 2 329.448 3.209 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000415907733 309147501 /nfs/dbraw/zinc/14/75/01/309147501.db2.gz NYWPVHYZLJCWHS-MRXNPFEDSA-N 2 2 327.432 3.278 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417382022 309203656 /nfs/dbraw/zinc/20/36/56/309203656.db2.gz NMBVYBDEGYULFE-MRXNPFEDSA-N 2 2 343.471 3.091 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Br)s1 ZINC000419690192 309271058 /nfs/dbraw/zinc/27/10/58/309271058.db2.gz BRPDSCPIXDBSLA-SECBINFHSA-N 2 2 343.294 3.161 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC([NH3+])CC2)on1 ZINC000420275429 309278911 /nfs/dbraw/zinc/27/89/11/309278911.db2.gz PVDSPRDACLRDJL-UHFFFAOYSA-N 2 2 337.423 3.427 20 0 EGADLP C[N@H+](CC(=O)N1c2ccccc2CCc2ccccc21)C1CC[NH2+]CC1 ZINC000420274893 309278924 /nfs/dbraw/zinc/27/89/24/309278924.db2.gz PCPAPRRXVVQBDI-UHFFFAOYSA-N 2 2 349.478 3.134 20 0 EGADLP C[N@@H+](CC(=O)N1c2ccccc2CCc2ccccc21)C1CC[NH2+]CC1 ZINC000420274893 309278925 /nfs/dbraw/zinc/27/89/25/309278925.db2.gz PCPAPRRXVVQBDI-UHFFFAOYSA-N 2 2 349.478 3.134 20 0 EGADLP Cc1cc(C[N@@H+](C)C2CC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420274473 309278940 /nfs/dbraw/zinc/27/89/40/309278940.db2.gz ORKYDFLNZGWUNV-UHFFFAOYSA-N 2 2 330.863 3.289 20 0 EGADLP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000420274473 309278941 /nfs/dbraw/zinc/27/89/41/309278941.db2.gz ORKYDFLNZGWUNV-UHFFFAOYSA-N 2 2 330.863 3.289 20 0 EGADLP COC(=O)c1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(C)s1 ZINC000420308456 309281092 /nfs/dbraw/zinc/28/10/92/309281092.db2.gz KDTRSXSTAWZGHB-UHFFFAOYSA-N 2 2 332.469 3.194 20 0 EGADLP COC(=O)c1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C)s1 ZINC000420308456 309281093 /nfs/dbraw/zinc/28/10/93/309281093.db2.gz KDTRSXSTAWZGHB-UHFFFAOYSA-N 2 2 332.469 3.194 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000420312750 309281108 /nfs/dbraw/zinc/28/11/08/309281108.db2.gz XDKACWKXUXLFJU-BJZITVGISA-N 2 2 346.496 3.261 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1 ZINC000420312750 309281109 /nfs/dbraw/zinc/28/11/09/309281109.db2.gz XDKACWKXUXLFJU-BJZITVGISA-N 2 2 346.496 3.261 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316256 309281403 /nfs/dbraw/zinc/28/14/03/309281403.db2.gz NANPLKBRSOJOHU-QAPCUYQASA-N 2 2 342.874 3.289 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316256 309281404 /nfs/dbraw/zinc/28/14/04/309281404.db2.gz NANPLKBRSOJOHU-QAPCUYQASA-N 2 2 342.874 3.289 20 0 EGADLP CC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000420315499 309281555 /nfs/dbraw/zinc/28/15/55/309281555.db2.gz RRMOZYGBEVPFDL-KRWDZBQOSA-N 2 2 332.879 3.490 20 0 EGADLP CC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000420315499 309281556 /nfs/dbraw/zinc/28/15/56/309281556.db2.gz RRMOZYGBEVPFDL-KRWDZBQOSA-N 2 2 332.879 3.490 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000420363463 309284236 /nfs/dbraw/zinc/28/42/36/309284236.db2.gz NWZMXJXLUKRZCE-CYBMUJFWSA-N 2 2 327.259 3.119 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420363307 309284241 /nfs/dbraw/zinc/28/42/41/309284241.db2.gz JJOIBYVAPAZGLC-DLBZAZTESA-N 2 2 349.544 3.081 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000420366459 309284604 /nfs/dbraw/zinc/28/46/04/309284604.db2.gz RCTKOMUTPWJXQJ-LJQANCHMSA-N 2 2 339.483 3.179 20 0 EGADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420371001 309284734 /nfs/dbraw/zinc/28/47/34/309284734.db2.gz WNKPEMGEGVQVFP-YJBOKZPZSA-N 2 2 333.520 3.025 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420371477 309284921 /nfs/dbraw/zinc/28/49/21/309284921.db2.gz PNNTXHRCLABGNO-QINHECLXSA-N 2 2 337.467 3.415 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000420376265 309285100 /nfs/dbraw/zinc/28/51/00/309285100.db2.gz UXNNJAPSLJHVKQ-JUFZMCDQSA-N 2 2 343.393 3.009 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420379745 309285217 /nfs/dbraw/zinc/28/52/17/309285217.db2.gz YBZAMYKQQKWNME-BFQNTYOBSA-N 2 2 348.288 3.473 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000420387240 309285794 /nfs/dbraw/zinc/28/57/94/309285794.db2.gz JVRPBNZYXALQQC-UHFFFAOYSA-N 2 2 338.455 3.075 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000420387240 309285795 /nfs/dbraw/zinc/28/57/95/309285795.db2.gz JVRPBNZYXALQQC-UHFFFAOYSA-N 2 2 338.455 3.075 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)co2)cc1F ZINC000420384585 309285817 /nfs/dbraw/zinc/28/58/17/309285817.db2.gz UGKOUHFOOYGANH-SFHVURJKSA-N 2 2 333.382 3.195 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)co2)cc1F ZINC000420384585 309285818 /nfs/dbraw/zinc/28/58/18/309285818.db2.gz UGKOUHFOOYGANH-SFHVURJKSA-N 2 2 333.382 3.195 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392060 309285853 /nfs/dbraw/zinc/28/58/53/309285853.db2.gz IXAYCRZGYVXDNH-FXAWDEMLSA-N 2 2 337.467 3.242 20 0 EGADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc2ccccc21 ZINC000420392060 309285854 /nfs/dbraw/zinc/28/58/54/309285854.db2.gz IXAYCRZGYVXDNH-FXAWDEMLSA-N 2 2 337.467 3.242 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392078 309285869 /nfs/dbraw/zinc/28/58/69/309285869.db2.gz IXYSDMHBSVSNEG-RHSMWYFYSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420392078 309285870 /nfs/dbraw/zinc/28/58/70/309285870.db2.gz IXYSDMHBSVSNEG-RHSMWYFYSA-N 2 2 335.879 3.051 20 0 EGADLP CC(C)(C)[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccc(F)cc1F ZINC000420393367 309286048 /nfs/dbraw/zinc/28/60/48/309286048.db2.gz BZVGQJQURZACBQ-CQSZACIVSA-N 2 2 338.402 3.419 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000420393630 309286199 /nfs/dbraw/zinc/28/61/99/309286199.db2.gz YGBVEQJSNFSGDG-INIZCTEOSA-N 2 2 325.456 3.222 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000420393630 309286200 /nfs/dbraw/zinc/28/62/00/309286200.db2.gz YGBVEQJSNFSGDG-INIZCTEOSA-N 2 2 325.456 3.222 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000420791722 309295036 /nfs/dbraw/zinc/29/50/36/309295036.db2.gz JFEUZSOWWDOCAM-LJQANCHMSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1cc(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)cc(C)[nH+]1 ZINC000420855716 309298165 /nfs/dbraw/zinc/29/81/65/309298165.db2.gz WTATXNQQHDXZKK-UHFFFAOYSA-N 2 2 346.519 3.256 20 0 EGADLP c1cc(C[N@@H+]2CCOC3(CCCCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420917499 309300879 /nfs/dbraw/zinc/30/08/79/309300879.db2.gz SBFXWSORQFOQAD-UHFFFAOYSA-N 2 2 344.499 3.054 20 0 EGADLP c1cc(C[N@H+]2CCOC3(CCCCC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420917499 309300880 /nfs/dbraw/zinc/30/08/80/309300880.db2.gz SBFXWSORQFOQAD-UHFFFAOYSA-N 2 2 344.499 3.054 20 0 EGADLP Fc1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420929235 309302025 /nfs/dbraw/zinc/30/20/25/309302025.db2.gz COUABZVPRRXMJY-UHFFFAOYSA-N 2 2 340.442 3.437 20 0 EGADLP Fc1ccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420930905 309302051 /nfs/dbraw/zinc/30/20/51/309302051.db2.gz FKZSTLYELSNMFV-UHFFFAOYSA-N 2 2 340.442 3.437 20 0 EGADLP CC1(C)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCS1 ZINC000420946999 309303437 /nfs/dbraw/zinc/30/34/37/309303437.db2.gz BRYQTKGVXGHCJB-UHFFFAOYSA-N 2 2 334.529 3.236 20 0 EGADLP CC1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCS1 ZINC000420946999 309303438 /nfs/dbraw/zinc/30/34/38/309303438.db2.gz BRYQTKGVXGHCJB-UHFFFAOYSA-N 2 2 334.529 3.236 20 0 EGADLP CC(C)[N@H+](Cc1cccnc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420948814 309303487 /nfs/dbraw/zinc/30/34/87/309303487.db2.gz PSIADJDUFZWDHI-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP CC(C)[N@@H+](Cc1cccnc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420948814 309303488 /nfs/dbraw/zinc/30/34/88/309303488.db2.gz PSIADJDUFZWDHI-UHFFFAOYSA-N 2 2 339.483 3.324 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@H+](Cc2ccccc2)C1 ZINC000421343099 309319319 /nfs/dbraw/zinc/31/93/19/309319319.db2.gz PLWMHEJMKSVFEC-YADHBBJMSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@@H+](Cc2ccccc2)C1 ZINC000421343099 309319320 /nfs/dbraw/zinc/31/93/20/309319320.db2.gz PLWMHEJMKSVFEC-YADHBBJMSA-N 2 2 336.479 3.289 20 0 EGADLP COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398609 309323020 /nfs/dbraw/zinc/32/30/20/309323020.db2.gz GSONLXJLZAQKGO-HBFSDRIKSA-N 2 2 346.515 3.071 20 0 EGADLP COC1([C@H](C)[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398609 309323021 /nfs/dbraw/zinc/32/30/21/309323021.db2.gz GSONLXJLZAQKGO-HBFSDRIKSA-N 2 2 346.515 3.071 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000421574355 309330282 /nfs/dbraw/zinc/33/02/82/309330282.db2.gz FOHBEHLXSNOPBT-LJQANCHMSA-N 2 2 325.456 3.398 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)CC3CCCC3)CC2)CC1 ZINC000422013173 309350984 /nfs/dbraw/zinc/35/09/84/309350984.db2.gz FAHGKWCJTLKABY-GOSISDBHSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)CC3CCCC3)CC2)CC1 ZINC000422013173 309350985 /nfs/dbraw/zinc/35/09/85/309350985.db2.gz FAHGKWCJTLKABY-GOSISDBHSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000422014066 309350995 /nfs/dbraw/zinc/35/09/95/309350995.db2.gz FVIKSXDJSSLGQM-MOPGFXCFSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000422014066 309350996 /nfs/dbraw/zinc/35/09/96/309350996.db2.gz FVIKSXDJSSLGQM-MOPGFXCFSA-N 2 2 349.563 3.221 20 0 EGADLP Cc1cc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc(C)[nH+]1 ZINC000422215306 309358122 /nfs/dbraw/zinc/35/81/22/309358122.db2.gz UGMZZSXXZUKGDF-UHFFFAOYSA-N 2 2 344.503 3.106 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422701558 309363906 /nfs/dbraw/zinc/36/39/06/309363906.db2.gz DGBNWJXLJZTNDT-WFASDCNBSA-N 2 2 338.377 3.121 20 0 EGADLP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000422716114 309364659 /nfs/dbraw/zinc/36/46/59/309364659.db2.gz MXLSACIIIDLFDH-BVGQSLNGSA-N 2 2 327.497 3.229 20 0 EGADLP C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000422716114 309364660 /nfs/dbraw/zinc/36/46/60/309364660.db2.gz MXLSACIIIDLFDH-BVGQSLNGSA-N 2 2 327.497 3.229 20 0 EGADLP O=C1[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000422739188 309366127 /nfs/dbraw/zinc/36/61/27/309366127.db2.gz KRKRNRUQNGMATO-TYPHKJRUSA-N 2 2 349.478 3.265 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422777886 309367731 /nfs/dbraw/zinc/36/77/31/309367731.db2.gz GOHDOWDHSXZPFC-AEFFLSMTSA-N 2 2 326.440 3.336 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422816110 309369951 /nfs/dbraw/zinc/36/99/51/309369951.db2.gz ZBYXAAQPTNTGCK-PCCBWWKXSA-N 3 2 338.499 3.332 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000422816109 309370046 /nfs/dbraw/zinc/37/00/46/309370046.db2.gz ZBYXAAQPTNTGCK-NJDAHSKKSA-N 3 2 338.499 3.332 20 0 EGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831465 309371032 /nfs/dbraw/zinc/37/10/32/309371032.db2.gz TUGGGPZGWLWHQZ-OXJNMPFZSA-N 2 2 334.467 3.172 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000422893033 309374610 /nfs/dbraw/zinc/37/46/10/309374610.db2.gz OGOQAJDDOGXZRR-PXNSSMCTSA-N 3 2 333.520 3.027 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422901649 309375167 /nfs/dbraw/zinc/37/51/67/309375167.db2.gz LJRPDDGAYUYMBY-BHIYHBOVSA-N 3 2 342.462 3.330 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422923029 309376328 /nfs/dbraw/zinc/37/63/28/309376328.db2.gz UYOJABPJTIESAR-STQMWFEESA-N 2 2 328.859 3.113 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000422939421 309377197 /nfs/dbraw/zinc/37/71/97/309377197.db2.gz RLQKTGZOOCJNKC-PKOBYXMFSA-N 2 2 340.467 3.089 20 0 EGADLP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000422959798 309378189 /nfs/dbraw/zinc/37/81/89/309378189.db2.gz UOIDQJATGIYGMO-XWCCPHMRSA-N 2 2 344.503 3.028 20 0 EGADLP CC[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[NH2+]1 ZINC000422981699 309379405 /nfs/dbraw/zinc/37/94/05/309379405.db2.gz OZUWEGVMLKBLBK-GJZGRUSLSA-N 2 2 334.851 3.053 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000422999825 309380099 /nfs/dbraw/zinc/38/00/99/309380099.db2.gz SXWOZFHMTMQKQK-CPLUKWAASA-N 2 2 332.488 3.042 20 0 EGADLP Cn1c(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)nc2cccc(Cl)c21 ZINC000423046370 309382756 /nfs/dbraw/zinc/38/27/56/309382756.db2.gz DKPSWKIRSMDKER-GOEBONIOSA-N 2 2 326.831 3.461 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051219 309383135 /nfs/dbraw/zinc/38/31/35/309383135.db2.gz MRXDBBBEEFBJQO-VXGBXAGGSA-N 2 2 348.082 3.181 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423059047 309383830 /nfs/dbraw/zinc/38/38/30/309383830.db2.gz KTWWGYIPCUDRBU-ZENOOKHLSA-N 2 2 330.394 3.166 20 0 EGADLP C[C@H]([NH2+][C@H]1CSc2ccc(Br)cc21)[C@H]1CCC[NH2+]1 ZINC000423083064 309385089 /nfs/dbraw/zinc/38/50/89/309385089.db2.gz GDJWXWSLTVYSSP-BIMULSAOSA-N 2 2 327.291 3.326 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423093373 309385600 /nfs/dbraw/zinc/38/56/00/309385600.db2.gz HEVOPAJLBOHZGP-ODVANORSSA-N 2 2 342.405 3.308 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144362 309388139 /nfs/dbraw/zinc/38/81/39/309388139.db2.gz YRWXSXBGWPIFPE-HKBOAZHASA-N 3 2 329.532 3.409 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423144362 309388140 /nfs/dbraw/zinc/38/81/40/309388140.db2.gz YRWXSXBGWPIFPE-HKBOAZHASA-N 3 2 329.532 3.409 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCC[NH2+]1 ZINC000423156912 309388782 /nfs/dbraw/zinc/38/87/82/309388782.db2.gz UNCKMAWODSXVKR-QCZZGDTMSA-N 2 2 327.241 3.306 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423267745 309393083 /nfs/dbraw/zinc/39/30/83/309393083.db2.gz FTYHORHKMCXARJ-KBXCAEBGSA-N 2 2 338.517 3.037 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000423281170 309393729 /nfs/dbraw/zinc/39/37/29/309393729.db2.gz AQLDEXSQSKJFDT-GFCCVEGCSA-N 2 2 335.883 3.397 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423286321 309394089 /nfs/dbraw/zinc/39/40/89/309394089.db2.gz GNXOYXRECPGMBK-VAMGGRTRSA-N 3 2 329.532 3.394 20 0 EGADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423286321 309394090 /nfs/dbraw/zinc/39/40/90/309394090.db2.gz GNXOYXRECPGMBK-VAMGGRTRSA-N 3 2 329.532 3.394 20 0 EGADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)c1 ZINC000423319188 309394997 /nfs/dbraw/zinc/39/49/97/309394997.db2.gz DBSSJDWCVHKTKI-SFHVURJKSA-N 2 2 347.409 3.445 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000423327831 309395414 /nfs/dbraw/zinc/39/54/14/309395414.db2.gz KFXIENCFGXDFAM-NSHDSACASA-N 2 2 325.503 3.067 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000423334529 309395832 /nfs/dbraw/zinc/39/58/32/309395832.db2.gz PGTGFFJFNBXLRH-GFCCVEGCSA-N 2 2 337.464 3.144 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423340296 309395962 /nfs/dbraw/zinc/39/59/62/309395962.db2.gz VWLFGMIBZRNPJH-FZKQIMNGSA-N 2 2 347.894 3.269 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000423366432 309397454 /nfs/dbraw/zinc/39/74/54/309397454.db2.gz LJNYTYCDWPOHGI-RGCFKVTRSA-N 2 2 338.442 3.204 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)nnn1-c1ccc(Cl)cc1 ZINC000423372753 309397536 /nfs/dbraw/zinc/39/75/36/309397536.db2.gz IRXMPFATDHTUML-HUBLWGQQSA-N 2 2 333.867 3.020 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc(F)c1 ZINC000423386018 309398162 /nfs/dbraw/zinc/39/81/62/309398162.db2.gz LCKREDTWMGQVPF-IRXDYDNUSA-N 2 2 330.451 3.016 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cnn(Cc2ccccc2)c1 ZINC000423392342 309398323 /nfs/dbraw/zinc/39/83/23/309398323.db2.gz QFLWXZAHOUWLFD-APWZRJJASA-N 2 2 326.488 3.360 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000423422834 309399731 /nfs/dbraw/zinc/39/97/31/309399731.db2.gz ZEAUWMOWSLPUBN-NHYWBVRUSA-N 2 2 345.256 3.007 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1OC(F)(F)F ZINC000427889581 309537799 /nfs/dbraw/zinc/53/77/99/309537799.db2.gz HFEGLLVJQXDKEV-NWDGAFQWSA-N 2 2 325.334 3.447 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000428277151 309546376 /nfs/dbraw/zinc/54/63/76/309546376.db2.gz MJOSKCAHJAKNGD-UHFFFAOYSA-N 2 2 332.879 3.053 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)C[C@@H](C)O1 ZINC000428863850 309563304 /nfs/dbraw/zinc/56/33/04/309563304.db2.gz RXLFQQIJPFAQNR-VXGBXAGGSA-N 2 2 336.423 3.356 20 0 EGADLP c1[nH+]c(C2CC[NH+](Cc3cn4ccccc4n3)CC2)n2c1CCCC2 ZINC000434675286 309717396 /nfs/dbraw/zinc/71/73/96/309717396.db2.gz KYGGGEOSJWTQBI-UHFFFAOYSA-N 2 2 335.455 3.247 20 0 EGADLP CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000442990873 309893196 /nfs/dbraw/zinc/89/31/96/309893196.db2.gz MQSOYQOVRCFLCV-JXFKEZNVSA-N 2 2 339.483 3.136 20 0 EGADLP Cn1c(NC2CC[NH+](C3CCCCC3)CC2)[nH+]c2cccc(F)c21 ZINC000443511224 309902309 /nfs/dbraw/zinc/90/23/09/309902309.db2.gz PQHTZELCNLNQHQ-UHFFFAOYSA-N 2 2 330.451 3.343 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449016127 310029155 /nfs/dbraw/zinc/02/91/55/310029155.db2.gz MXGQHCMFLJFOSG-UHFFFAOYSA-N 2 2 342.487 3.187 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449016127 310029156 /nfs/dbraw/zinc/02/91/56/310029156.db2.gz MXGQHCMFLJFOSG-UHFFFAOYSA-N 2 2 342.487 3.187 20 0 EGADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C[C@H](C)O1 ZINC000449070942 310034569 /nfs/dbraw/zinc/03/45/69/310034569.db2.gz GEVWPTAAYQUDEB-HOTGVXAUSA-N 2 2 343.446 3.120 20 0 EGADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cnc(CCc3ccccc3)s1)CC2 ZINC000449260798 310048350 /nfs/dbraw/zinc/04/83/50/310048350.db2.gz XWMTXOLBDGIOLF-MRXNPFEDSA-N 2 2 338.480 3.229 20 0 EGADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000449262621 310048461 /nfs/dbraw/zinc/04/84/61/310048461.db2.gz HYFBPQURVPBMSH-BZSNNMDCSA-N 2 2 348.510 3.425 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449348615 310055790 /nfs/dbraw/zinc/05/57/90/310055790.db2.gz CXQDGRPDAJRXHC-UHFFFAOYSA-N 2 2 335.835 3.205 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C1 ZINC000449362096 310056651 /nfs/dbraw/zinc/05/66/51/310056651.db2.gz MDCVDQAWROTHLU-MAODMQOUSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)C1 ZINC000449362096 310056652 /nfs/dbraw/zinc/05/66/52/310056652.db2.gz MDCVDQAWROTHLU-MAODMQOUSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000449367360 310057025 /nfs/dbraw/zinc/05/70/25/310057025.db2.gz VORPRCXOBLYFND-IUODEOHRSA-N 2 2 326.444 3.405 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388224 310058153 /nfs/dbraw/zinc/05/81/53/310058153.db2.gz OQISLISKHKDURF-ZIAGYGMSSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388224 310058154 /nfs/dbraw/zinc/05/81/54/310058154.db2.gz OQISLISKHKDURF-ZIAGYGMSSA-N 2 2 345.314 3.361 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000449481855 310065599 /nfs/dbraw/zinc/06/55/99/310065599.db2.gz WEGPRQVKURLVDA-LZLYRXPVSA-N 2 2 344.890 3.074 20 0 EGADLP Cn1cc(Cl)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000449481855 310065600 /nfs/dbraw/zinc/06/56/00/310065600.db2.gz WEGPRQVKURLVDA-LZLYRXPVSA-N 2 2 344.890 3.074 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)cc[nH+]1 ZINC000450224401 310109475 /nfs/dbraw/zinc/10/94/75/310109475.db2.gz UUZSJZJVGGYLPP-UHFFFAOYSA-N 2 2 329.419 3.114 20 0 EGADLP C[C@H](c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1)C(F)(F)F ZINC000450369958 310118395 /nfs/dbraw/zinc/11/83/95/310118395.db2.gz UIZCVZFNKKGFJY-CQSZACIVSA-N 2 2 344.421 3.241 20 0 EGADLP C[C@H](c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1)C(F)(F)F ZINC000450369958 310118396 /nfs/dbraw/zinc/11/83/96/310118396.db2.gz UIZCVZFNKKGFJY-CQSZACIVSA-N 2 2 344.421 3.241 20 0 EGADLP Nc1ncccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495997 310126234 /nfs/dbraw/zinc/12/62/34/310126234.db2.gz AJDMSUMAHIFVJT-QUCCMNQESA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495997 310126235 /nfs/dbraw/zinc/12/62/35/310126235.db2.gz AJDMSUMAHIFVJT-QUCCMNQESA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450495997 310126236 /nfs/dbraw/zinc/12/62/36/310126236.db2.gz AJDMSUMAHIFVJT-QUCCMNQESA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450495997 310126237 /nfs/dbraw/zinc/12/62/37/310126237.db2.gz AJDMSUMAHIFVJT-QUCCMNQESA-N 2 2 336.483 3.150 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505384 310127067 /nfs/dbraw/zinc/12/70/67/310127067.db2.gz YPBVLXLORGHEEE-CTNGQTDRSA-N 2 2 338.499 3.042 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505384 310127068 /nfs/dbraw/zinc/12/70/68/310127068.db2.gz YPBVLXLORGHEEE-CTNGQTDRSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505384 310127069 /nfs/dbraw/zinc/12/70/69/310127069.db2.gz YPBVLXLORGHEEE-CTNGQTDRSA-N 2 2 338.499 3.042 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(CCc4ccccc4)n3)CC[C@@H]21 ZINC000450505384 310127070 /nfs/dbraw/zinc/12/70/70/310127070.db2.gz YPBVLXLORGHEEE-CTNGQTDRSA-N 2 2 338.499 3.042 20 0 EGADLP C[C@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450638218 310134237 /nfs/dbraw/zinc/13/42/37/310134237.db2.gz BLOMKOQHCHSJCH-SFXFZMGTSA-N 2 2 345.575 3.161 20 0 EGADLP C[C@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450638218 310134238 /nfs/dbraw/zinc/13/42/38/310134238.db2.gz BLOMKOQHCHSJCH-SFXFZMGTSA-N 2 2 345.575 3.161 20 0 EGADLP C[C@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450715138 310138866 /nfs/dbraw/zinc/13/88/66/310138866.db2.gz WGLFWOWWYIPFNR-ZDUSSCGKSA-N 2 2 349.360 3.482 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(CC(F)(F)F)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450715136 310138918 /nfs/dbraw/zinc/13/89/18/310138918.db2.gz WGLFWOWWYIPFNR-CYBMUJFWSA-N 2 2 349.360 3.482 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1OCCc2sccc21 ZINC000451059687 310158321 /nfs/dbraw/zinc/15/83/21/310158321.db2.gz IHUIEJKUPUAZJK-HNAYVOBHSA-N 2 2 330.497 3.472 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1OCCc2sccc21 ZINC000451059687 310158322 /nfs/dbraw/zinc/15/83/22/310158322.db2.gz IHUIEJKUPUAZJK-HNAYVOBHSA-N 2 2 330.497 3.472 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451576353 310187608 /nfs/dbraw/zinc/18/76/08/310187608.db2.gz ZPBPGJALKCZIKR-HNNXBMFYSA-N 2 2 334.261 3.444 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451576353 310187609 /nfs/dbraw/zinc/18/76/09/310187609.db2.gz ZPBPGJALKCZIKR-HNNXBMFYSA-N 2 2 334.261 3.444 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)Cc1cnccn1)c1cccc(OC)c1 ZINC000453087329 310257119 /nfs/dbraw/zinc/25/71/19/310257119.db2.gz YVWVHKXHQYDDHI-OXQOHEQNSA-N 2 2 342.487 3.089 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453106731 310258289 /nfs/dbraw/zinc/25/82/89/310258289.db2.gz ZSZALPHZUOBUPF-RDJZCZTQSA-N 2 2 338.904 3.197 20 0 EGADLP COC[C@H]([NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)C1CCOCC1 ZINC000453239015 310266220 /nfs/dbraw/zinc/26/62/20/310266220.db2.gz RDLIQKIMBQHEGV-KRWDZBQOSA-N 2 2 349.862 3.057 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC2([NH+](C)C)CCCCCC2)c[nH+]1 ZINC000454218766 310297900 /nfs/dbraw/zinc/29/79/00/310297900.db2.gz KKYOJRCRKFSUPS-UHFFFAOYSA-N 2 2 332.492 3.152 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000454627277 310320939 /nfs/dbraw/zinc/32/09/39/310320939.db2.gz WDICWIISXKMNOA-HZPDHXFCSA-N 2 2 337.512 3.020 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(C)[nH+]1 ZINC000455502199 310364234 /nfs/dbraw/zinc/36/42/34/310364234.db2.gz UWLFSCLJMHYRAB-UHFFFAOYSA-N 2 2 330.476 3.489 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(C)[nH+]1 ZINC000455502199 310364235 /nfs/dbraw/zinc/36/42/35/310364235.db2.gz UWLFSCLJMHYRAB-UHFFFAOYSA-N 2 2 330.476 3.489 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2CCSC2)CCOCC1)c1ccccc1 ZINC000487294814 311019184 /nfs/dbraw/zinc/01/91/84/311019184.db2.gz LARYHBVTDSVNBS-DLBZAZTESA-N 2 2 334.529 3.229 20 0 EGADLP O[C@]1(C[NH2+]Cc2sccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000487317343 311020271 /nfs/dbraw/zinc/02/02/71/311020271.db2.gz JPBTYDCYOXWRKC-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@H]3CS[C@@H](C(C)(C)C)C3)[nH+]c2)CC1 ZINC000488440954 311065645 /nfs/dbraw/zinc/06/56/45/311065645.db2.gz KBOYYKRYNAXPAR-GDBMZVCRSA-N 2 2 334.533 3.166 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCCO2 ZINC000489605544 311114010 /nfs/dbraw/zinc/11/40/10/311114010.db2.gz PEAQXCCMFXFCBE-MJGOQNOKSA-N 2 2 332.488 3.070 20 0 EGADLP O=C(/C=C/c1ccnc2ccccc12)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491849870 311192435 /nfs/dbraw/zinc/19/24/35/311192435.db2.gz WTIFUMKQNBSLDE-AATRIKPKSA-N 2 2 341.374 3.467 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000492278294 311232900 /nfs/dbraw/zinc/23/29/00/311232900.db2.gz PMRRBPNASLDFLQ-QXMHVHEDSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000492400755 311246230 /nfs/dbraw/zinc/24/62/30/311246230.db2.gz SXERCNFNCKOEHH-WBVHZDCISA-N 2 2 344.528 3.314 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000492400755 311246231 /nfs/dbraw/zinc/24/62/31/311246231.db2.gz SXERCNFNCKOEHH-WBVHZDCISA-N 2 2 344.528 3.314 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000493358033 311364934 /nfs/dbraw/zinc/36/49/34/311364934.db2.gz OAXJVYSUHYSWPQ-MPGHIAIKSA-N 2 2 347.503 3.312 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000493358033 311364936 /nfs/dbraw/zinc/36/49/36/311364936.db2.gz OAXJVYSUHYSWPQ-MPGHIAIKSA-N 2 2 347.503 3.312 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506483211 312050119 /nfs/dbraw/zinc/05/01/19/312050119.db2.gz UYWPYESJDVUYDL-GBESFXJTSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506483211 312050120 /nfs/dbraw/zinc/05/01/20/312050120.db2.gz UYWPYESJDVUYDL-GBESFXJTSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506483211 312050121 /nfs/dbraw/zinc/05/01/21/312050121.db2.gz UYWPYESJDVUYDL-GBESFXJTSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506483211 312050122 /nfs/dbraw/zinc/05/01/22/312050122.db2.gz UYWPYESJDVUYDL-GBESFXJTSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507521679 312075869 /nfs/dbraw/zinc/07/58/69/312075869.db2.gz ZUNGZSQUAXBTBW-ZBFHGGJFSA-N 2 2 336.442 3.444 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508828451 312103520 /nfs/dbraw/zinc/10/35/20/312103520.db2.gz ONONVJOCSXBGOD-SFHVURJKSA-N 2 2 327.472 3.429 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508828451 312103522 /nfs/dbraw/zinc/10/35/22/312103522.db2.gz ONONVJOCSXBGOD-SFHVURJKSA-N 2 2 327.472 3.429 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508828451 312103524 /nfs/dbraw/zinc/10/35/24/312103524.db2.gz ONONVJOCSXBGOD-SFHVURJKSA-N 2 2 327.472 3.429 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508828451 312103526 /nfs/dbraw/zinc/10/35/26/312103526.db2.gz ONONVJOCSXBGOD-SFHVURJKSA-N 2 2 327.472 3.429 20 0 EGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000510737073 312147383 /nfs/dbraw/zinc/14/73/83/312147383.db2.gz RTAZRABTNYSOBR-DYVFJYSZSA-N 2 2 328.472 3.313 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190386 /nfs/dbraw/zinc/19/03/86/312190386.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190388 /nfs/dbraw/zinc/19/03/88/312190388.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190389 /nfs/dbraw/zinc/19/03/89/312190389.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512625252 312190391 /nfs/dbraw/zinc/19/03/91/312190391.db2.gz MMQHPPWQKMKLLG-QHAWAJNXSA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191783 /nfs/dbraw/zinc/19/17/83/312191783.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191785 /nfs/dbraw/zinc/19/17/85/312191785.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191786 /nfs/dbraw/zinc/19/17/86/312191786.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512652956 312191789 /nfs/dbraw/zinc/19/17/89/312191789.db2.gz CCKWYDZRVJZHAE-YUMYIRISSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H](C[NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000515344199 312277912 /nfs/dbraw/zinc/27/79/12/312277912.db2.gz BELHOFZYHBVSSA-GJZGRUSLSA-N 2 2 344.421 3.367 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000516512667 312326556 /nfs/dbraw/zinc/32/65/56/312326556.db2.gz ANZPPFYQEQGGJI-SFHVURJKSA-N 2 2 334.504 3.169 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661050 312336036 /nfs/dbraw/zinc/33/60/36/312336036.db2.gz JVUBKRBMUDUGDZ-FUHWJXTLSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Cl)cc1 ZINC000516661050 312336038 /nfs/dbraw/zinc/33/60/38/312336038.db2.gz JVUBKRBMUDUGDZ-FUHWJXTLSA-N 2 2 349.906 3.076 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227993 312369950 /nfs/dbraw/zinc/36/99/50/312369950.db2.gz GLACQLYBNBXSQH-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(O)ccc2Br)C1 ZINC000517227993 312369951 /nfs/dbraw/zinc/36/99/51/312369951.db2.gz GLACQLYBNBXSQH-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227993 312369955 /nfs/dbraw/zinc/36/99/55/312369955.db2.gz GLACQLYBNBXSQH-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000517227993 312369956 /nfs/dbraw/zinc/36/99/56/312369956.db2.gz GLACQLYBNBXSQH-MLGOLLRUSA-N 2 2 339.277 3.071 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)c(F)c1 ZINC000528420255 313089589 /nfs/dbraw/zinc/08/95/89/313089589.db2.gz YOKNITWPTNNFJT-NSHDSACASA-N 2 2 336.798 3.020 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)c(F)c1 ZINC000528420255 313089592 /nfs/dbraw/zinc/08/95/92/313089592.db2.gz YOKNITWPTNNFJT-NSHDSACASA-N 2 2 336.798 3.020 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000528729536 313157571 /nfs/dbraw/zinc/15/75/71/313157571.db2.gz SZZKAJAWHUWGBN-LJQANCHMSA-N 2 2 332.463 3.390 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccsc1C(F)(F)F ZINC000529533627 313347148 /nfs/dbraw/zinc/34/71/48/313347148.db2.gz BHMMTNVGYQLNAP-HZSPNIEDSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccsc1C(F)(F)F ZINC000529533627 313347151 /nfs/dbraw/zinc/34/71/51/313347151.db2.gz BHMMTNVGYQLNAP-HZSPNIEDSA-N 2 2 348.434 3.450 20 0 EGADLP Cc1cccc2ncc(C[N@@H+]3CCc4nc(C(C)(C)C)ncc4C3)n21 ZINC000529640261 313376070 /nfs/dbraw/zinc/37/60/70/313376070.db2.gz HVMRCPRPOXCOBW-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP Cc1cccc2ncc(C[N@H+]3CCc4nc(C(C)(C)C)ncc4C3)n21 ZINC000529640261 313376071 /nfs/dbraw/zinc/37/60/71/313376071.db2.gz HVMRCPRPOXCOBW-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@@H+]3CCc4nc(C(C)(C)C)ncc4C3)n21 ZINC000529640261 313376074 /nfs/dbraw/zinc/37/60/74/313376074.db2.gz HVMRCPRPOXCOBW-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP Cc1cccc2[nH+]cc(C[N@H+]3CCc4nc(C(C)(C)C)ncc4C3)n21 ZINC000529640261 313376078 /nfs/dbraw/zinc/37/60/78/313376078.db2.gz HVMRCPRPOXCOBW-UHFFFAOYSA-N 2 2 335.455 3.289 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(Br)cc1 ZINC000070143894 454167038 /nfs/dbraw/zinc/16/70/38/454167038.db2.gz RUAHWPJDGZMWRG-LLVKDONJSA-N 2 2 337.265 3.099 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000120069773 454255079 /nfs/dbraw/zinc/25/50/79/454255079.db2.gz SNYMYEPVJYZPTP-ZETOZRRWSA-N 2 2 329.271 3.242 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C[N@H+]1C1CC1 ZINC000120069773 454255081 /nfs/dbraw/zinc/25/50/81/454255081.db2.gz SNYMYEPVJYZPTP-ZETOZRRWSA-N 2 2 329.271 3.242 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863038 314003309 /nfs/dbraw/zinc/00/33/09/314003309.db2.gz UUNNPMRRGXTFHC-AEFFLSMTSA-N 2 2 344.503 3.138 20 0 EGADLP Cn1c2ccccc2[nH+]c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000535689849 314060224 /nfs/dbraw/zinc/06/02/24/314060224.db2.gz NDENFFSXMXIWGV-UHFFFAOYSA-N 2 2 340.496 3.381 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000535764349 314070470 /nfs/dbraw/zinc/07/04/70/314070470.db2.gz VGSFVXUVTONPNR-WFASDCNBSA-N 2 2 333.819 3.348 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000535764349 314070472 /nfs/dbraw/zinc/07/04/72/314070472.db2.gz VGSFVXUVTONPNR-WFASDCNBSA-N 2 2 333.819 3.348 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000535964592 314085441 /nfs/dbraw/zinc/08/54/41/314085441.db2.gz TXAGPQZEPJJKLS-ROUUACIJSA-N 2 2 343.471 3.005 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCOC[C@@H]1CCCO1 ZINC000535964592 314085444 /nfs/dbraw/zinc/08/54/44/314085444.db2.gz TXAGPQZEPJJKLS-ROUUACIJSA-N 2 2 343.471 3.005 20 0 EGADLP COc1ccc([C@@H](C)C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000538308586 314239367 /nfs/dbraw/zinc/23/93/67/314239367.db2.gz YPXMWWAVHYGYPS-KRWDZBQOSA-N 2 2 325.456 3.324 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722669 314270505 /nfs/dbraw/zinc/27/05/05/314270505.db2.gz FUEYYBUMIZRHOM-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722669 314270506 /nfs/dbraw/zinc/27/05/06/314270506.db2.gz FUEYYBUMIZRHOM-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722669 314270508 /nfs/dbraw/zinc/27/05/08/314270508.db2.gz FUEYYBUMIZRHOM-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000538722669 314270510 /nfs/dbraw/zinc/27/05/10/314270510.db2.gz FUEYYBUMIZRHOM-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)c2cc1C ZINC000547833096 314945131 /nfs/dbraw/zinc/94/51/31/314945131.db2.gz XJTHNDUNOMICBR-OKDNKWQNSA-N 2 2 329.488 3.428 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H]3CCN(C(=O)Nc4ccccc4)C3)c[nH+]c12 ZINC000548874331 315057705 /nfs/dbraw/zinc/05/77/05/315057705.db2.gz RBJQITAMPASJOA-QGZVFWFLSA-N 2 2 349.438 3.039 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877459 315057722 /nfs/dbraw/zinc/05/77/22/315057722.db2.gz QIEXIBJISMGWIZ-ZWKOTPCHSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877459 315057726 /nfs/dbraw/zinc/05/77/26/315057726.db2.gz QIEXIBJISMGWIZ-ZWKOTPCHSA-N 2 2 337.423 3.231 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(F)c(C)c3)c2cc1C ZINC000548945889 315064932 /nfs/dbraw/zinc/06/49/32/315064932.db2.gz IJWPQHQMJPYCGH-QGZVFWFLSA-N 2 2 341.430 3.251 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)[N@H+](C)C1CC1 ZINC000550121983 315117347 /nfs/dbraw/zinc/11/73/47/315117347.db2.gz DWMVLPFICNWSNZ-JSGCOSHPSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCc2cccc(Br)c2C1)[N@@H+](C)C1CC1 ZINC000550121983 315117350 /nfs/dbraw/zinc/11/73/50/315117350.db2.gz DWMVLPFICNWSNZ-JSGCOSHPSA-N 2 2 337.305 3.379 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000552048593 315193317 /nfs/dbraw/zinc/19/33/17/315193317.db2.gz XPYBMPFZIGSHHV-DYESRHJHSA-N 2 2 339.483 3.305 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000552048593 315193318 /nfs/dbraw/zinc/19/33/18/315193318.db2.gz XPYBMPFZIGSHHV-DYESRHJHSA-N 2 2 339.483 3.305 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000552904766 315236938 /nfs/dbraw/zinc/23/69/38/315236938.db2.gz VVCRJSNDXJZINC-HXUWFJFHSA-N 2 2 325.431 3.462 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920609 315237812 /nfs/dbraw/zinc/23/78/12/315237812.db2.gz CGCGBVOHPYMRHO-LJQANCHMSA-N 3 2 347.522 3.154 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000552920609 315237815 /nfs/dbraw/zinc/23/78/15/315237815.db2.gz CGCGBVOHPYMRHO-LJQANCHMSA-N 3 2 347.522 3.154 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC23CCOCC3)[nH+]1 ZINC000554561060 315333079 /nfs/dbraw/zinc/33/30/79/315333079.db2.gz OIZMMAUSGSCDEF-GOSISDBHSA-N 2 2 325.456 3.023 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000555538043 315388648 /nfs/dbraw/zinc/38/86/48/315388648.db2.gz OVMQLUFDJHUHGZ-KBPBESRZSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000555538043 315388651 /nfs/dbraw/zinc/38/86/51/315388651.db2.gz OVMQLUFDJHUHGZ-KBPBESRZSA-N 2 2 335.289 3.133 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612254 315394485 /nfs/dbraw/zinc/39/44/85/315394485.db2.gz WFCKTFCDESQZRU-PZJWPPBQSA-N 3 2 329.532 3.363 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000555612254 315394487 /nfs/dbraw/zinc/39/44/87/315394487.db2.gz WFCKTFCDESQZRU-PZJWPPBQSA-N 3 2 329.532 3.363 20 0 EGADLP Clc1ccc(-c2nc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)co2)cc1 ZINC000563354879 316004618 /nfs/dbraw/zinc/00/46/18/316004618.db2.gz PBOHSRWYKVIJDF-UHFFFAOYSA-N 2 2 343.818 3.040 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)nn1 ZINC000563652499 316051336 /nfs/dbraw/zinc/05/13/36/316051336.db2.gz XNMOKHXSWBFBSF-GOSISDBHSA-N 2 2 329.492 3.032 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563975904 316099106 /nfs/dbraw/zinc/09/91/06/316099106.db2.gz JZVSYHJCZDDGOO-FSZRXZPDSA-N 3 2 339.886 3.331 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563975904 316099108 /nfs/dbraw/zinc/09/91/08/316099108.db2.gz JZVSYHJCZDDGOO-FSZRXZPDSA-N 3 2 339.886 3.331 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)ccn12 ZINC000565551578 316339419 /nfs/dbraw/zinc/33/94/19/316339419.db2.gz YDQAPJDITIIDPA-GOSISDBHSA-N 2 2 340.471 3.170 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)ccn12 ZINC000565551578 316339421 /nfs/dbraw/zinc/33/94/21/316339421.db2.gz YDQAPJDITIIDPA-GOSISDBHSA-N 2 2 340.471 3.170 20 0 EGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000565877374 316382197 /nfs/dbraw/zinc/38/21/97/316382197.db2.gz QNIKJRYXIQPTBT-GOEBONIOSA-N 2 2 333.524 3.235 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCCC3(F)F)c2cc1C ZINC000566120129 316421120 /nfs/dbraw/zinc/42/11/20/316421120.db2.gz JKVWBOHCPLMWBB-HUUCEWRRSA-N 2 2 337.414 3.039 20 0 EGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000568373772 316766585 /nfs/dbraw/zinc/76/65/85/316766585.db2.gz GNJWYYSORNWRQC-CJNGLKHVSA-N 2 2 344.286 3.107 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000568728291 316814437 /nfs/dbraw/zinc/81/44/37/316814437.db2.gz MNKIYLFMFBRJFD-JKSUJKDBSA-N 2 2 345.491 3.032 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889420 317120461 /nfs/dbraw/zinc/12/04/61/317120461.db2.gz XMXBDODHYFRWCP-CXAGYDPISA-N 2 2 343.298 3.489 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1)C1CC1 ZINC000570889420 317120464 /nfs/dbraw/zinc/12/04/64/317120464.db2.gz XMXBDODHYFRWCP-CXAGYDPISA-N 2 2 343.298 3.489 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000571156543 317158619 /nfs/dbraw/zinc/15/86/19/317158619.db2.gz SOJWAZABTQQESJ-RTBURBONSA-N 2 2 325.456 3.410 20 0 EGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000572178799 317301825 /nfs/dbraw/zinc/30/18/25/317301825.db2.gz CCDDMXKTKZFOCA-IBGZPJMESA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000572178799 317301828 /nfs/dbraw/zinc/30/18/28/317301828.db2.gz CCDDMXKTKZFOCA-IBGZPJMESA-N 2 2 332.488 3.161 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](Cc3ccc(C4CCCCC4)cc3)C[C@H]2[NH3+])cn1 ZINC000572474803 317344301 /nfs/dbraw/zinc/34/43/01/317344301.db2.gz RLUCVBDHKNKFJE-LEWJYISDSA-N 2 2 338.499 3.395 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C4CCCCC4)cc3)C[C@H]2[NH3+])cn1 ZINC000572474803 317344306 /nfs/dbraw/zinc/34/43/06/317344306.db2.gz RLUCVBDHKNKFJE-LEWJYISDSA-N 2 2 338.499 3.395 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000572493258 317347785 /nfs/dbraw/zinc/34/77/85/317347785.db2.gz DXUGVPDQWYYGCC-IBGZPJMESA-N 2 2 336.414 3.192 20 0 EGADLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842528 455113769 /nfs/dbraw/zinc/11/37/69/455113769.db2.gz BPMHCNWMLSWPPQ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118842528 455113780 /nfs/dbraw/zinc/11/37/80/455113780.db2.gz BPMHCNWMLSWPPQ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842528 455113786 /nfs/dbraw/zinc/11/37/86/455113786.db2.gz BPMHCNWMLSWPPQ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000228495048 456123539 /nfs/dbraw/zinc/12/35/39/456123539.db2.gz UWHAINGELGOCGG-HNNXBMFYSA-N 2 2 339.277 3.087 20 0 EGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc2c1OCC2 ZINC000228495048 456123544 /nfs/dbraw/zinc/12/35/44/456123544.db2.gz UWHAINGELGOCGG-HNNXBMFYSA-N 2 2 339.277 3.087 20 0 EGADLP FC(F)COCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000189565727 455218930 /nfs/dbraw/zinc/21/89/30/455218930.db2.gz LTQMGEXLIAOZTK-ROUUACIJSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000189565727 455218931 /nfs/dbraw/zinc/21/89/31/455218931.db2.gz LTQMGEXLIAOZTK-ROUUACIJSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000189565727 455218933 /nfs/dbraw/zinc/21/89/33/455218933.db2.gz LTQMGEXLIAOZTK-ROUUACIJSA-N 2 2 338.442 3.255 20 0 EGADLP FC(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000189565727 455218935 /nfs/dbraw/zinc/21/89/35/455218935.db2.gz LTQMGEXLIAOZTK-ROUUACIJSA-N 2 2 338.442 3.255 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000171481146 323237854 /nfs/dbraw/zinc/23/78/54/323237854.db2.gz POYPQDKDUQBUKY-UHFFFAOYSA-N 2 2 348.450 3.077 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000171481146 323237856 /nfs/dbraw/zinc/23/78/56/323237856.db2.gz POYPQDKDUQBUKY-UHFFFAOYSA-N 2 2 348.450 3.077 20 0 EGADLP CC(C)CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000178601279 323358353 /nfs/dbraw/zinc/35/83/53/323358353.db2.gz ZICFZHDCSTXWEM-VQTJNVASSA-N 2 2 345.531 3.475 20 0 EGADLP CCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000182118834 323526564 /nfs/dbraw/zinc/52/65/64/323526564.db2.gz UMAWPCBDNAMWBK-HOTGVXAUSA-N 2 2 349.544 3.002 20 0 EGADLP C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182878219 323580673 /nfs/dbraw/zinc/58/06/73/323580673.db2.gz CEKMCRVSUOIMFA-MRXNPFEDSA-N 2 2 349.438 3.277 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000579310632 325090718 /nfs/dbraw/zinc/09/07/18/325090718.db2.gz BXHXLHAPYGLMAO-SFHVURJKSA-N 2 2 348.556 3.495 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000579310632 325090723 /nfs/dbraw/zinc/09/07/23/325090723.db2.gz BXHXLHAPYGLMAO-SFHVURJKSA-N 2 2 348.556 3.495 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000579727300 325151548 /nfs/dbraw/zinc/15/15/48/325151548.db2.gz FGOFWVQHNADLEK-CYBMUJFWSA-N 2 2 344.365 3.343 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000579727300 325151550 /nfs/dbraw/zinc/15/15/50/325151550.db2.gz FGOFWVQHNADLEK-CYBMUJFWSA-N 2 2 344.365 3.343 20 0 EGADLP C[C@@H](CCC[NH3+])NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000580892717 325306293 /nfs/dbraw/zinc/30/62/93/325306293.db2.gz NVWKPUPAAHIXIV-LBPRGKRZSA-N 2 2 333.819 3.385 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ncccn4)[C@@H]3C2)cc1 ZINC000581836167 325392182 /nfs/dbraw/zinc/39/21/82/325392182.db2.gz WAKKIQPHEWEFLT-XUVXKRRUSA-N 2 2 336.483 3.257 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]Cc4ncccn4)[C@@H]3C2)cc1 ZINC000581836167 325392184 /nfs/dbraw/zinc/39/21/84/325392184.db2.gz WAKKIQPHEWEFLT-XUVXKRRUSA-N 2 2 336.483 3.257 20 0 EGADLP CC1(C)Cc2cc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)ccc2O1 ZINC000581951093 325401688 /nfs/dbraw/zinc/40/16/88/325401688.db2.gz XRLBHDIISBUTHX-UHFFFAOYSA-N 2 2 334.423 3.074 20 0 EGADLP C[C@@H]1C[C@H]1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406577 456963246 /nfs/dbraw/zinc/96/32/46/456963246.db2.gz LXEGWGLPQSSWHO-OLZOCXBDSA-N 2 2 338.249 3.397 20 0 EGADLP C[C@@H]1C[C@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000349406577 456963250 /nfs/dbraw/zinc/96/32/50/456963250.db2.gz LXEGWGLPQSSWHO-OLZOCXBDSA-N 2 2 338.249 3.397 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000342090883 457103598 /nfs/dbraw/zinc/10/35/98/457103598.db2.gz CCAWYFOYCFSAEO-SECBINFHSA-N 2 2 349.784 3.157 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339441647 457122210 /nfs/dbraw/zinc/12/22/10/457122210.db2.gz SHMVXEDNBNVFDX-HNNXBMFYSA-N 2 2 333.398 3.404 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339441647 457122221 /nfs/dbraw/zinc/12/22/21/457122221.db2.gz SHMVXEDNBNVFDX-HNNXBMFYSA-N 2 2 333.398 3.404 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@@H]1CCCC[NH2+]1 ZINC000395169372 457476326 /nfs/dbraw/zinc/47/63/26/457476326.db2.gz VVLXISGVEJNSDM-ABAIWWIYSA-N 2 2 339.277 3.004 20 0 EGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000443632630 457792138 /nfs/dbraw/zinc/79/21/38/457792138.db2.gz TUAMORAYPUGMSD-LBPRGKRZSA-N 2 2 331.287 3.443 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000264506902 455226649 /nfs/dbraw/zinc/22/66/49/455226649.db2.gz WTOFUQSVWJDLOF-IBGZPJMESA-N 2 2 331.504 3.059 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc12 ZINC000237901381 455231600 /nfs/dbraw/zinc/23/16/00/455231600.db2.gz WTMWXXAJEDFMHV-LJQANCHMSA-N 2 2 349.482 3.031 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000237901381 455231604 /nfs/dbraw/zinc/23/16/04/455231604.db2.gz WTMWXXAJEDFMHV-LJQANCHMSA-N 2 2 349.482 3.031 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183182279 455246427 /nfs/dbraw/zinc/24/64/27/455246427.db2.gz FADFFXUUZOWLSP-MRXNPFEDSA-N 2 2 332.879 3.305 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000183184945 455246547 /nfs/dbraw/zinc/24/65/47/455246547.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000183184945 455246550 /nfs/dbraw/zinc/24/65/50/455246550.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184945 455246555 /nfs/dbraw/zinc/24/65/55/455246555.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 3 2 326.488 3.258 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)CC[NH+]1Cc1ccccc1 ZINC000183184945 455246559 /nfs/dbraw/zinc/24/65/59/455246559.db2.gz MBNDSAQRRRFOBJ-AZUAARDMSA-N 3 2 326.488 3.258 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)[C@H](C)O)c1ccc(C(F)(F)F)cc1 ZINC000581998063 459288946 /nfs/dbraw/zinc/28/89/46/459288946.db2.gz SEIOMQARULBBIR-HEHGZKQESA-N 2 2 332.410 3.447 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000189954138 455259236 /nfs/dbraw/zinc/25/92/36/455259236.db2.gz URISGUPAKDVOJI-ROUUACIJSA-N 3 2 326.488 3.019 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@@H](c1[nH+]ccn1C)C1CC1)Cc1ccccc1 ZINC000183244157 455259260 /nfs/dbraw/zinc/25/92/60/455259260.db2.gz DGXBHJXBYRKPTK-WOJBJXKFSA-N 2 2 340.515 3.414 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265476919 455332098 /nfs/dbraw/zinc/33/20/98/455332098.db2.gz JSNMMNZIQBASGN-LBPRGKRZSA-N 2 2 332.835 3.270 20 0 EGADLP CN(C(=O)c1ccsc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245732222 455367524 /nfs/dbraw/zinc/36/75/24/455367524.db2.gz SEDTUHJQXLZUSL-ZWKOTPCHSA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1ccsc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245732222 455367527 /nfs/dbraw/zinc/36/75/27/455367527.db2.gz SEDTUHJQXLZUSL-ZWKOTPCHSA-N 2 2 349.544 3.157 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c[nH+]1 ZINC000030651872 453837419 /nfs/dbraw/zinc/83/74/19/453837419.db2.gz YZLSQJBOPMXJQA-UHFFFAOYSA-N 3 2 343.434 3.407 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cc2)cn1 ZINC000030651872 453837420 /nfs/dbraw/zinc/83/74/20/453837420.db2.gz YZLSQJBOPMXJQA-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC000054148735 453913250 /nfs/dbraw/zinc/91/32/50/453913250.db2.gz BSLWMSRJVBQCCR-FQEVSTJZSA-N 2 2 346.434 3.001 20 0 EGADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](c2ccccc2)C1 ZINC000054148735 453913253 /nfs/dbraw/zinc/91/32/53/453913253.db2.gz BSLWMSRJVBQCCR-FQEVSTJZSA-N 2 2 346.434 3.001 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000075686513 453918815 /nfs/dbraw/zinc/91/88/15/453918815.db2.gz IKSYMMKPVGJOSJ-GOSISDBHSA-N 2 2 334.423 3.329 20 0 EGADLP Brc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000036932182 453932341 /nfs/dbraw/zinc/93/23/41/453932341.db2.gz VWDKKRHEAVAOLM-UHFFFAOYSA-N 2 2 336.233 3.196 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000076004428 453948549 /nfs/dbraw/zinc/94/85/49/453948549.db2.gz MSBDOQUFNPHCHI-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000076004428 453948550 /nfs/dbraw/zinc/94/85/50/453948550.db2.gz MSBDOQUFNPHCHI-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccnc(N4CCCC4)c3)cc2)c[nH+]1 ZINC000042207669 454000638 /nfs/dbraw/zinc/00/06/38/454000638.db2.gz PZSJCHWYVCPDTM-UHFFFAOYSA-N 2 2 333.439 3.157 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000069644898 454128246 /nfs/dbraw/zinc/12/82/46/454128246.db2.gz PIQJMDQUWKOSKP-UHFFFAOYSA-N 2 2 345.397 3.144 20 0 EGADLP Cc1nc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc[nH+]1 ZINC000078259454 454218376 /nfs/dbraw/zinc/21/83/76/454218376.db2.gz NTRMIEMOFDBEOT-HNNXBMFYSA-N 2 2 326.444 3.097 20 0 EGADLP c1cn(-c2ccc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)cc2)c[nH+]1 ZINC000089952427 454245887 /nfs/dbraw/zinc/24/58/87/454245887.db2.gz XHIVBWQPFWWDTD-RTBURBONSA-N 2 2 343.496 3.359 20 0 EGADLP c1cn(-c2ccc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)cc2)c[nH+]1 ZINC000089952427 454245893 /nfs/dbraw/zinc/24/58/93/454245893.db2.gz XHIVBWQPFWWDTD-RTBURBONSA-N 2 2 343.496 3.359 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050599 454267237 /nfs/dbraw/zinc/26/72/37/454267237.db2.gz XWUMSDZHKWBGKG-GOSISDBHSA-N 2 2 337.467 3.353 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000120202373 454271438 /nfs/dbraw/zinc/27/14/38/454271438.db2.gz XLBZMWVRCNRPEW-BLLLJJGKSA-N 2 2 346.500 3.391 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1C ZINC000120202373 454271441 /nfs/dbraw/zinc/27/14/41/454271441.db2.gz XLBZMWVRCNRPEW-BLLLJJGKSA-N 2 2 346.500 3.391 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000131719864 454280088 /nfs/dbraw/zinc/28/00/88/454280088.db2.gz ROLODIYZBGODOZ-JXFKEZNVSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000131719864 454280091 /nfs/dbraw/zinc/28/00/91/454280091.db2.gz ROLODIYZBGODOZ-JXFKEZNVSA-N 2 2 327.447 3.263 20 0 EGADLP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000090218517 454294373 /nfs/dbraw/zinc/29/43/73/454294373.db2.gz IALAOPSCNIMFJM-PXNSSMCTSA-N 2 2 331.504 3.087 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719156 454333110 /nfs/dbraw/zinc/33/31/10/454333110.db2.gz XEGNBQXCCUHNNK-QZTJIDSGSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072719156 454333115 /nfs/dbraw/zinc/33/31/15/454333115.db2.gz XEGNBQXCCUHNNK-QZTJIDSGSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000090847020 454345434 /nfs/dbraw/zinc/34/54/34/454345434.db2.gz VYMJPXDFXHVGEJ-UHFFFAOYSA-N 2 2 335.451 3.355 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1c(C)noc1C ZINC000090887505 454348318 /nfs/dbraw/zinc/34/83/18/454348318.db2.gz GUUOCGYRSQRUSF-SFHVURJKSA-N 2 2 328.460 3.392 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000132879037 454373858 /nfs/dbraw/zinc/37/38/58/454373858.db2.gz NTCODXCOWAKBJH-UHFFFAOYSA-N 2 2 339.395 3.110 20 0 EGADLP CCOc1cc2c(cc1C[NH2+]C1CC[NH+](C3CC3)CC1)O[C@@H](C)C2 ZINC000073381150 454429580 /nfs/dbraw/zinc/42/95/80/454429580.db2.gz ZITHJLUEKMYHDW-AWEZNQCLSA-N 2 2 330.472 3.125 20 0 EGADLP COc1ccc2oc(C[NH2+]CCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1 ZINC000123027264 454593736 /nfs/dbraw/zinc/59/37/36/454593736.db2.gz BZYQWKRDGXPUOJ-HUUCEWRRSA-N 2 2 332.444 3.030 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926125 460646095 /nfs/dbraw/zinc/64/60/95/460646095.db2.gz HAJVIFZOLSUTBA-MSOLQXFVSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926125 460646100 /nfs/dbraw/zinc/64/61/00/460646100.db2.gz HAJVIFZOLSUTBA-MSOLQXFVSA-N 2 2 349.906 3.077 20 0 EGADLP CCc1ncc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000092645134 454599373 /nfs/dbraw/zinc/59/93/73/454599373.db2.gz VOUKPGLHVSERRE-UHFFFAOYSA-N 2 2 344.528 3.239 20 0 EGADLP CCc1ncc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)s1 ZINC000092645134 454599378 /nfs/dbraw/zinc/59/93/78/454599378.db2.gz VOUKPGLHVSERRE-UHFFFAOYSA-N 2 2 344.528 3.239 20 0 EGADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902876 454607021 /nfs/dbraw/zinc/60/70/21/454607021.db2.gz ADSOOPNRNNHGPE-NQIIRXRSSA-N 2 2 336.483 3.321 20 0 EGADLP c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902876 454607023 /nfs/dbraw/zinc/60/70/23/454607023.db2.gz ADSOOPNRNNHGPE-NQIIRXRSSA-N 2 2 336.483 3.321 20 0 EGADLP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902876 454607026 /nfs/dbraw/zinc/60/70/26/454607026.db2.gz ADSOOPNRNNHGPE-NQIIRXRSSA-N 2 2 336.483 3.321 20 0 EGADLP c1nn(-c2ccccc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902876 454607029 /nfs/dbraw/zinc/60/70/29/454607029.db2.gz ADSOOPNRNNHGPE-NQIIRXRSSA-N 2 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000134903273 454607267 /nfs/dbraw/zinc/60/72/67/454607267.db2.gz PQXPCBIWDXUCBH-NQIIRXRSSA-N 3 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000134903273 454607272 /nfs/dbraw/zinc/60/72/72/454607272.db2.gz PQXPCBIWDXUCBH-NQIIRXRSSA-N 3 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)c[nH+]1 ZINC000134903273 454607278 /nfs/dbraw/zinc/60/72/78/454607278.db2.gz PQXPCBIWDXUCBH-NQIIRXRSSA-N 3 2 336.483 3.321 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933794 454650833 /nfs/dbraw/zinc/65/08/33/454650833.db2.gz LCLDMRDIBXCQTJ-GJZGRUSLSA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080933794 454650837 /nfs/dbraw/zinc/65/08/37/454650837.db2.gz LCLDMRDIBXCQTJ-GJZGRUSLSA-N 2 2 342.443 3.015 20 0 EGADLP Clc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974116 454662960 /nfs/dbraw/zinc/66/29/60/454662960.db2.gz ZGWHLJSLOXALCJ-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)c1 ZINC000080974116 454662962 /nfs/dbraw/zinc/66/29/62/454662962.db2.gz ZGWHLJSLOXALCJ-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000106217008 454686989 /nfs/dbraw/zinc/68/69/89/454686989.db2.gz UIFNMIVVBAQSRT-WMZOPIPTSA-N 2 2 346.519 3.167 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000106217008 454686993 /nfs/dbraw/zinc/68/69/93/454686993.db2.gz UIFNMIVVBAQSRT-WMZOPIPTSA-N 2 2 346.519 3.167 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106530501 454698871 /nfs/dbraw/zinc/69/88/71/454698871.db2.gz DDRONCVTJQUADX-IXDOHACOSA-N 2 2 347.507 3.014 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000106530501 454698873 /nfs/dbraw/zinc/69/88/73/454698873.db2.gz DDRONCVTJQUADX-IXDOHACOSA-N 2 2 347.507 3.014 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OCC(F)(F)F)c1 ZINC000124287991 454714583 /nfs/dbraw/zinc/71/45/83/454714583.db2.gz JWTBETDUIOOQOX-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OCC(F)(F)F)c1 ZINC000124287991 454714587 /nfs/dbraw/zinc/71/45/87/454714587.db2.gz JWTBETDUIOOQOX-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124362121 454723455 /nfs/dbraw/zinc/72/34/55/454723455.db2.gz MEISUGUPKOHHTM-INIZCTEOSA-N 2 2 328.460 3.356 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124362121 454723458 /nfs/dbraw/zinc/72/34/58/454723458.db2.gz MEISUGUPKOHHTM-INIZCTEOSA-N 2 2 328.460 3.356 20 0 EGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000136208760 454728875 /nfs/dbraw/zinc/72/88/75/454728875.db2.gz YOOQITBIQDNJJQ-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP CCCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000136208760 454728879 /nfs/dbraw/zinc/72/88/79/454728879.db2.gz YOOQITBIQDNJJQ-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP CSc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634735 460651190 /nfs/dbraw/zinc/65/11/90/460651190.db2.gz YUJVCRXRNJBFRB-CYBMUJFWSA-N 2 2 329.307 3.355 20 0 EGADLP CSc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634735 460651198 /nfs/dbraw/zinc/65/11/98/460651198.db2.gz YUJVCRXRNJBFRB-CYBMUJFWSA-N 2 2 329.307 3.355 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1OC ZINC000093865916 454741214 /nfs/dbraw/zinc/74/12/14/454741214.db2.gz QNTQUPGZABDJGB-HNNXBMFYSA-N 2 2 348.830 3.406 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1OC ZINC000093865916 454741222 /nfs/dbraw/zinc/74/12/22/454741222.db2.gz QNTQUPGZABDJGB-HNNXBMFYSA-N 2 2 348.830 3.406 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000635008375 460652006 /nfs/dbraw/zinc/65/20/06/460652006.db2.gz JNDIANOMTLFGHY-CMPLNLGQSA-N 2 2 336.785 3.215 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CCSCC3)c2C1 ZINC000162207359 454759352 /nfs/dbraw/zinc/75/93/52/454759352.db2.gz WSVUBZOURPYUIM-OAHLLOKOSA-N 2 2 347.528 3.034 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CCSCC3)c2C1 ZINC000162207359 454759359 /nfs/dbraw/zinc/75/93/59/454759359.db2.gz WSVUBZOURPYUIM-OAHLLOKOSA-N 2 2 347.528 3.034 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cn2)c1 ZINC000162664100 454792043 /nfs/dbraw/zinc/79/20/43/454792043.db2.gz JPXPWKOPWNKJDQ-DOTOQJQBSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn2)c1 ZINC000162664100 454792047 /nfs/dbraw/zinc/79/20/47/454792047.db2.gz JPXPWKOPWNKJDQ-DOTOQJQBSA-N 2 2 341.455 3.455 20 0 EGADLP Clc1ccccc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162928396 454809832 /nfs/dbraw/zinc/80/98/32/454809832.db2.gz KNEOHXYDNGZAQB-UHFFFAOYSA-N 2 2 336.786 3.476 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153916788 454847019 /nfs/dbraw/zinc/84/70/19/454847019.db2.gz VRZWQFIPLRMONL-KSZLIROESA-N 2 2 333.495 3.377 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153916788 454847020 /nfs/dbraw/zinc/84/70/20/454847020.db2.gz VRZWQFIPLRMONL-KSZLIROESA-N 2 2 333.495 3.377 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CCOCC2)CCOCC1)c1ccccc1 ZINC000154026120 454857640 /nfs/dbraw/zinc/85/76/40/454857640.db2.gz LOFZYFVIYVTEBU-QZTJIDSGSA-N 2 2 346.515 3.291 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000246385877 455481380 /nfs/dbraw/zinc/48/13/80/455481380.db2.gz AICYSDOFRMOMGL-QLFBSQMISA-N 2 2 342.430 3.438 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000246385877 455481384 /nfs/dbraw/zinc/48/13/84/455481384.db2.gz AICYSDOFRMOMGL-QLFBSQMISA-N 2 2 342.430 3.438 20 0 EGADLP CCCCCC(C)(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000177629771 454885477 /nfs/dbraw/zinc/88/54/77/454885477.db2.gz ZZGXAPWINRTJQG-UHFFFAOYSA-N 2 2 337.552 3.268 20 0 EGADLP Fc1cccc(F)c1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000164766826 454889361 /nfs/dbraw/zinc/88/93/61/454889361.db2.gz JMBSRUOIJBEEHI-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266958143 455483483 /nfs/dbraw/zinc/48/34/83/455483483.db2.gz VWRQYHQXWVLAAB-LBPRGKRZSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000266958143 455483489 /nfs/dbraw/zinc/48/34/89/455483489.db2.gz VWRQYHQXWVLAAB-LBPRGKRZSA-N 2 2 343.818 3.493 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1F ZINC000126644348 454908305 /nfs/dbraw/zinc/90/83/05/454908305.db2.gz JWNRCQUCKYTCOR-QGZVFWFLSA-N 2 2 341.474 3.424 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154741824 454925288 /nfs/dbraw/zinc/92/52/88/454925288.db2.gz AKNOBVDXCSMBQV-VQTJNVASSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154741824 454925291 /nfs/dbraw/zinc/92/52/91/454925291.db2.gz AKNOBVDXCSMBQV-VQTJNVASSA-N 2 2 349.563 3.077 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000154851507 454936162 /nfs/dbraw/zinc/93/61/62/454936162.db2.gz SRKGIBHWXVHECB-QGZVFWFLSA-N 2 2 336.451 3.128 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000154865192 454937814 /nfs/dbraw/zinc/93/78/14/454937814.db2.gz IXHJIUZPEBWMOK-SXLOBPIMSA-N 2 2 332.488 3.237 20 0 EGADLP COCC[N@H+](C)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000127160420 454941955 /nfs/dbraw/zinc/94/19/55/454941955.db2.gz TXAYMHBCAVLWBT-UHFFFAOYSA-N 2 2 339.439 3.300 20 0 EGADLP COCC[N@@H+](C)Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000127160420 454941959 /nfs/dbraw/zinc/94/19/59/454941959.db2.gz TXAYMHBCAVLWBT-UHFFFAOYSA-N 2 2 339.439 3.300 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480194 454956607 /nfs/dbraw/zinc/95/66/07/454956607.db2.gz NGAIFYKFSVTFEJ-JKSUJKDBSA-N 2 2 331.504 3.195 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480194 454956612 /nfs/dbraw/zinc/95/66/12/454956612.db2.gz NGAIFYKFSVTFEJ-JKSUJKDBSA-N 2 2 331.504 3.195 20 0 EGADLP C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)[nH+]c2)CC1 ZINC000128543658 455065814 /nfs/dbraw/zinc/06/58/14/455065814.db2.gz CMTQRTRPEJJADB-ZIAGYGMSSA-N 2 2 342.409 3.366 20 0 EGADLP c1ccc2[nH]c(CCC[NH2+]C3CC[NH+](Cc4cccnc4)CC3)nc2c1 ZINC000156230151 455095854 /nfs/dbraw/zinc/09/58/54/455095854.db2.gz SXFSGUQCKQCYQW-UHFFFAOYSA-N 2 2 349.482 3.145 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000129167942 455100402 /nfs/dbraw/zinc/10/04/02/455100402.db2.gz FMVPIUQAFFMPIO-YGRLFVJLSA-N 2 2 327.241 3.303 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000129167942 455100408 /nfs/dbraw/zinc/10/04/08/455100408.db2.gz FMVPIUQAFFMPIO-YGRLFVJLSA-N 2 2 327.241 3.303 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000156309149 455103339 /nfs/dbraw/zinc/10/33/39/455103339.db2.gz LDVUMJZNSKNMGG-ZDUSSCGKSA-N 2 2 348.288 3.381 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000156309149 455103340 /nfs/dbraw/zinc/10/33/40/455103340.db2.gz LDVUMJZNSKNMGG-ZDUSSCGKSA-N 2 2 348.288 3.381 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@@H+]1C ZINC000156312161 455103543 /nfs/dbraw/zinc/10/35/43/455103543.db2.gz WYHIWXNSPFAQQI-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000156312161 455103547 /nfs/dbraw/zinc/10/35/47/455103547.db2.gz WYHIWXNSPFAQQI-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152392210 455112054 /nfs/dbraw/zinc/11/20/54/455112054.db2.gz BVTXMYNKTFCENC-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152392210 455112056 /nfs/dbraw/zinc/11/20/56/455112056.db2.gz BVTXMYNKTFCENC-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152392210 455112060 /nfs/dbraw/zinc/11/20/60/455112060.db2.gz BVTXMYNKTFCENC-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152392210 455112063 /nfs/dbraw/zinc/11/20/63/455112063.db2.gz BVTXMYNKTFCENC-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842528 455113766 /nfs/dbraw/zinc/11/37/66/455113766.db2.gz BPMHCNWMLSWPPQ-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000129574693 455117101 /nfs/dbraw/zinc/11/71/01/455117101.db2.gz RABFBBJDQJGBQL-GOEBONIOSA-N 3 2 347.469 3.256 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088907 455130372 /nfs/dbraw/zinc/13/03/72/455130372.db2.gz GUCGFSFWRNZVML-RXVVDRJESA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088907 455130376 /nfs/dbraw/zinc/13/03/76/455130376.db2.gz GUCGFSFWRNZVML-RXVVDRJESA-N 2 2 342.458 3.286 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000156561466 455132859 /nfs/dbraw/zinc/13/28/59/455132859.db2.gz RBJCYBAXUGKEPG-WMZOPIPTSA-N 2 2 342.487 3.134 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000156561466 455132862 /nfs/dbraw/zinc/13/28/62/455132862.db2.gz RBJCYBAXUGKEPG-WMZOPIPTSA-N 2 2 342.487 3.134 20 0 EGADLP c1nnc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1-c1ccccc1 ZINC000152618526 455143609 /nfs/dbraw/zinc/14/36/09/455143609.db2.gz KKAJSYYEUMEGPM-UHFFFAOYSA-N 2 2 339.487 3.154 20 0 EGADLP Cn1cc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)c2cccc(F)c2)cn1 ZINC000180166911 455143700 /nfs/dbraw/zinc/14/37/00/455143700.db2.gz AJOWPVBAHWTTEY-FQEVSTJZSA-N 2 2 342.462 3.113 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000172423576 455153417 /nfs/dbraw/zinc/15/34/17/455153417.db2.gz FEXZWZFIPXKGBK-HNNXBMFYSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000172423576 455153419 /nfs/dbraw/zinc/15/34/19/455153419.db2.gz FEXZWZFIPXKGBK-HNNXBMFYSA-N 2 2 340.414 3.214 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156985150 455160243 /nfs/dbraw/zinc/16/02/43/455160243.db2.gz OKMOYNDTPFTJPF-RXVVDRJESA-N 2 2 339.483 3.098 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000156985150 455160245 /nfs/dbraw/zinc/16/02/45/455160245.db2.gz OKMOYNDTPFTJPF-RXVVDRJESA-N 2 2 339.483 3.098 20 0 EGADLP c1cn(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863766 455179816 /nfs/dbraw/zinc/17/98/16/455179816.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 3 2 338.499 3.260 20 0 EGADLP c1cn(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863766 455179818 /nfs/dbraw/zinc/17/98/18/455179818.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 3 2 338.499 3.260 20 0 EGADLP c1cn(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863766 455179822 /nfs/dbraw/zinc/17/98/22/455179822.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 3 2 338.499 3.260 20 0 EGADLP c1cn(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c[nH+]1 ZINC000182863766 455179823 /nfs/dbraw/zinc/17/98/23/455179823.db2.gz QNJJPASSZBUQEM-RTWAWAEBSA-N 3 2 338.499 3.260 20 0 EGADLP C[C@H]([NH2+]CCCOCC1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157526217 455204431 /nfs/dbraw/zinc/20/44/31/455204431.db2.gz JHCZEQMJHXADNA-KRWDZBQOSA-N 2 2 343.471 3.356 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061754 455282292 /nfs/dbraw/zinc/28/22/92/455282292.db2.gz YATXUJAQYRGXEL-HOTGVXAUSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061754 455282295 /nfs/dbraw/zinc/28/22/95/455282295.db2.gz YATXUJAQYRGXEL-HOTGVXAUSA-N 2 2 346.500 3.019 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421880 455294508 /nfs/dbraw/zinc/29/45/08/455294508.db2.gz IGYWGZPBLPJSDM-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421880 455294514 /nfs/dbraw/zinc/29/45/14/455294514.db2.gz IGYWGZPBLPJSDM-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421880 455294519 /nfs/dbraw/zinc/29/45/19/455294519.db2.gz IGYWGZPBLPJSDM-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000245421880 455294524 /nfs/dbraw/zinc/29/45/24/455294524.db2.gz IGYWGZPBLPJSDM-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245433928 455298273 /nfs/dbraw/zinc/29/82/73/455298273.db2.gz CADRQPMDGBSVMW-AZUAARDMSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245433928 455298277 /nfs/dbraw/zinc/29/82/77/455298277.db2.gz CADRQPMDGBSVMW-AZUAARDMSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245433928 455298281 /nfs/dbraw/zinc/29/82/81/455298281.db2.gz CADRQPMDGBSVMW-AZUAARDMSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245433928 455298285 /nfs/dbraw/zinc/29/82/85/455298285.db2.gz CADRQPMDGBSVMW-AZUAARDMSA-N 2 2 345.531 3.135 20 0 EGADLP C[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000173518767 455300056 /nfs/dbraw/zinc/30/00/56/455300056.db2.gz VZSFSFVCXSDYOL-KRWDZBQOSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000173518767 455300062 /nfs/dbraw/zinc/30/00/62/455300062.db2.gz VZSFSFVCXSDYOL-KRWDZBQOSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245446696 455303243 /nfs/dbraw/zinc/30/32/43/455303243.db2.gz LJNMTDQGBMTOGS-HOTGVXAUSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245446696 455303246 /nfs/dbraw/zinc/30/32/46/455303246.db2.gz LJNMTDQGBMTOGS-HOTGVXAUSA-N 2 2 349.906 3.475 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000158704467 455323789 /nfs/dbraw/zinc/32/37/89/455323789.db2.gz NSDJEPIREODMLD-QGZVFWFLSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000158704467 455323793 /nfs/dbraw/zinc/32/37/93/455323793.db2.gz NSDJEPIREODMLD-QGZVFWFLSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946210 455343687 /nfs/dbraw/zinc/34/36/87/455343687.db2.gz MMYTVOHSGBSFIP-QGZVFWFLSA-N 2 2 348.450 3.182 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946210 455343689 /nfs/dbraw/zinc/34/36/89/455343689.db2.gz MMYTVOHSGBSFIP-QGZVFWFLSA-N 2 2 348.450 3.182 20 0 EGADLP C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245674361 455353066 /nfs/dbraw/zinc/35/30/66/455353066.db2.gz GJDIDJORESJGSM-MSOLQXFVSA-N 2 2 334.529 3.211 20 0 EGADLP C[C@H](CCSc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245674361 455353070 /nfs/dbraw/zinc/35/30/70/455353070.db2.gz GJDIDJORESJGSM-MSOLQXFVSA-N 2 2 334.529 3.211 20 0 EGADLP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245721835 455364546 /nfs/dbraw/zinc/36/45/46/455364546.db2.gz PWLARCFSOHQHEO-DLBZAZTESA-N 2 2 349.544 3.157 20 0 EGADLP CN(C(=O)c1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245721835 455364549 /nfs/dbraw/zinc/36/45/49/455364549.db2.gz PWLARCFSOHQHEO-DLBZAZTESA-N 2 2 349.544 3.157 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000245833335 455383145 /nfs/dbraw/zinc/38/31/45/455383145.db2.gz GRVUQITZZMGXQL-WMLDXEAASA-N 2 2 333.863 3.062 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000245833335 455383149 /nfs/dbraw/zinc/38/31/49/455383149.db2.gz GRVUQITZZMGXQL-WMLDXEAASA-N 2 2 333.863 3.062 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cnn1C(C)C ZINC000191188743 455461075 /nfs/dbraw/zinc/46/10/75/455461075.db2.gz KYDNUPCYMWZNDA-INIZCTEOSA-N 2 2 341.503 3.483 20 0 EGADLP COC(=O)c1coc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000246294179 455465986 /nfs/dbraw/zinc/46/59/86/455465986.db2.gz DLIPGPWVXFISJZ-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000246294179 455465991 /nfs/dbraw/zinc/46/59/91/455465991.db2.gz DLIPGPWVXFISJZ-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246294179 455465993 /nfs/dbraw/zinc/46/59/93/455465993.db2.gz DLIPGPWVXFISJZ-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP COC(=O)c1coc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246294179 455465996 /nfs/dbraw/zinc/46/59/96/455465996.db2.gz DLIPGPWVXFISJZ-HOTGVXAUSA-N 2 2 334.460 3.153 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266922730 455476902 /nfs/dbraw/zinc/47/69/02/455476902.db2.gz MKCXBYMLNMBRCH-GOEBONIOSA-N 2 2 337.427 3.324 20 0 EGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266922730 455476905 /nfs/dbraw/zinc/47/69/05/455476905.db2.gz MKCXBYMLNMBRCH-GOEBONIOSA-N 2 2 337.427 3.324 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444245 455490715 /nfs/dbraw/zinc/49/07/15/455490715.db2.gz DKBQVVPQAYLGOM-AZUAARDMSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444245 455490719 /nfs/dbraw/zinc/49/07/19/455490719.db2.gz DKBQVVPQAYLGOM-AZUAARDMSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444245 455490721 /nfs/dbraw/zinc/49/07/21/455490721.db2.gz DKBQVVPQAYLGOM-AZUAARDMSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000246444245 455490726 /nfs/dbraw/zinc/49/07/26/455490726.db2.gz DKBQVVPQAYLGOM-AZUAARDMSA-N 2 2 347.547 3.022 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246951773 455538162 /nfs/dbraw/zinc/53/81/62/455538162.db2.gz ATKKXXOSRLMEPG-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246951773 455538167 /nfs/dbraw/zinc/53/81/67/455538167.db2.gz ATKKXXOSRLMEPG-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246990695 455541472 /nfs/dbraw/zinc/54/14/72/455541472.db2.gz OFHCFSGTMJOIHE-FGTMMUONSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246990695 455541474 /nfs/dbraw/zinc/54/14/74/455541474.db2.gz OFHCFSGTMJOIHE-FGTMMUONSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246990695 455541479 /nfs/dbraw/zinc/54/14/79/455541479.db2.gz OFHCFSGTMJOIHE-FGTMMUONSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246990695 455541484 /nfs/dbraw/zinc/54/14/84/455541484.db2.gz OFHCFSGTMJOIHE-FGTMMUONSA-N 2 2 335.536 3.020 20 0 EGADLP CC[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000185345703 455544916 /nfs/dbraw/zinc/54/49/16/455544916.db2.gz FONXHPYFEQYDBZ-LJQANCHMSA-N 2 2 348.450 3.071 20 0 EGADLP CC[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000185345703 455544922 /nfs/dbraw/zinc/54/49/22/455544922.db2.gz FONXHPYFEQYDBZ-LJQANCHMSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247207784 455573709 /nfs/dbraw/zinc/57/37/09/455573709.db2.gz WUJFNBHVTFPXEF-CXQPBAHBSA-N 2 2 349.563 3.266 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247207784 455573714 /nfs/dbraw/zinc/57/37/14/455573714.db2.gz WUJFNBHVTFPXEF-CXQPBAHBSA-N 2 2 349.563 3.266 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000192254884 455582314 /nfs/dbraw/zinc/58/23/14/455582314.db2.gz PSYCJZFYUWOZII-UHFFFAOYSA-N 2 2 342.487 3.060 20 0 EGADLP Fc1cc(F)cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355109 455596288 /nfs/dbraw/zinc/59/62/88/455596288.db2.gz FXTFNWLODKVTRU-HXUWFJFHSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1cc(F)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355109 455596291 /nfs/dbraw/zinc/59/62/91/455596291.db2.gz FXTFNWLODKVTRU-HXUWFJFHSA-N 2 2 346.421 3.346 20 0 EGADLP COCCOc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000185684621 455596835 /nfs/dbraw/zinc/59/68/35/455596835.db2.gz YUJIWLSOHXCVLR-UWJYYQICSA-N 2 2 342.483 3.493 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cn1 ZINC000271328235 455599764 /nfs/dbraw/zinc/59/97/64/455599764.db2.gz LGPOWLNWGVKAQW-JKSUJKDBSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cn1 ZINC000271328235 455599766 /nfs/dbraw/zinc/59/97/66/455599766.db2.gz LGPOWLNWGVKAQW-JKSUJKDBSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247463022 455603836 /nfs/dbraw/zinc/60/38/36/455603836.db2.gz INYXECZYQPRECX-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247463022 455603840 /nfs/dbraw/zinc/60/38/40/455603840.db2.gz INYXECZYQPRECX-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247463022 455603845 /nfs/dbraw/zinc/60/38/45/455603845.db2.gz INYXECZYQPRECX-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247463022 455603846 /nfs/dbraw/zinc/60/38/46/455603846.db2.gz INYXECZYQPRECX-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247464093 455604463 /nfs/dbraw/zinc/60/44/63/455604463.db2.gz IPZQRYKKPZBHFY-ZACQAIPSSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247464093 455604467 /nfs/dbraw/zinc/60/44/67/455604467.db2.gz IPZQRYKKPZBHFY-ZACQAIPSSA-N 2 2 349.494 3.055 20 0 EGADLP COC(=O)C1CCC([NH2+]CCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000192437880 455614900 /nfs/dbraw/zinc/61/49/00/455614900.db2.gz JSLWYWZWTFWGJJ-UHFFFAOYSA-N 2 2 329.444 3.056 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292315296 455627237 /nfs/dbraw/zinc/62/72/37/455627237.db2.gz WIQSUHIGBOYNAV-IPZZXCBHSA-N 2 2 332.463 3.366 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292315296 455627239 /nfs/dbraw/zinc/62/72/39/455627239.db2.gz WIQSUHIGBOYNAV-IPZZXCBHSA-N 2 2 332.463 3.366 20 0 EGADLP Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247972827 455662689 /nfs/dbraw/zinc/66/26/89/455662689.db2.gz JUAXHKHJUAQGAV-NQIIRXRSSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247972827 455662694 /nfs/dbraw/zinc/66/26/94/455662694.db2.gz JUAXHKHJUAQGAV-NQIIRXRSSA-N 2 2 339.483 3.269 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C12CCC2 ZINC000247976748 455664132 /nfs/dbraw/zinc/66/41/32/455664132.db2.gz HXMSKODFHCOZGR-BTHPGYMESA-N 2 2 343.515 3.229 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C12CCC2 ZINC000247976748 455664134 /nfs/dbraw/zinc/66/41/34/455664134.db2.gz HXMSKODFHCOZGR-BTHPGYMESA-N 2 2 343.515 3.229 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000277789956 455666974 /nfs/dbraw/zinc/66/69/74/455666974.db2.gz WCPMPBFCLZMPNE-CWFSZBLJSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000277789956 455666981 /nfs/dbraw/zinc/66/69/81/455666981.db2.gz WCPMPBFCLZMPNE-CWFSZBLJSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cnc2ccsc2c1 ZINC000248028984 455671569 /nfs/dbraw/zinc/67/15/69/455671569.db2.gz PWFNEUQQNDCTBX-RBSFLKMASA-N 2 2 333.501 3.446 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(F)cccc2N2CCCC2)CCCO1 ZINC000277825954 455677988 /nfs/dbraw/zinc/67/79/88/455677988.db2.gz LGCQUQKQNQCYRU-QGZVFWFLSA-N 2 2 349.494 3.016 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(F)cccc2N2CCCC2)CCCO1 ZINC000277825954 455677994 /nfs/dbraw/zinc/67/79/94/455677994.db2.gz LGCQUQKQNQCYRU-QGZVFWFLSA-N 2 2 349.494 3.016 20 0 EGADLP Cc1cc(NC(=O)CC(C)CC(=O)Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC000277867155 455690825 /nfs/dbraw/zinc/69/08/25/455690825.db2.gz MGWSGIDPCOSACT-UHFFFAOYSA-N 2 2 326.400 3.087 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198295 455696660 /nfs/dbraw/zinc/69/66/60/455696660.db2.gz XUPCONUKYLFKDI-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198295 455696665 /nfs/dbraw/zinc/69/66/65/455696665.db2.gz XUPCONUKYLFKDI-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198295 455696669 /nfs/dbraw/zinc/69/66/69/455696669.db2.gz XUPCONUKYLFKDI-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)CC[C@H]21 ZINC000248198295 455696675 /nfs/dbraw/zinc/69/66/75/455696675.db2.gz XUPCONUKYLFKDI-GOEBONIOSA-N 2 2 336.863 3.027 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000271712123 455729908 /nfs/dbraw/zinc/72/99/08/455729908.db2.gz BFNGDORECKQCGD-CQSZACIVSA-N 2 2 338.517 3.433 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2F)[C@@H](C)C1 ZINC000249212131 455747121 /nfs/dbraw/zinc/74/71/21/455747121.db2.gz DBZCUVFUOSGFAR-DOTOQJQBSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2F)[C@@H](C)C1 ZINC000249212131 455747123 /nfs/dbraw/zinc/74/71/23/455747123.db2.gz DBZCUVFUOSGFAR-DOTOQJQBSA-N 2 2 338.467 3.061 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000271766586 455753100 /nfs/dbraw/zinc/75/31/00/455753100.db2.gz DHRGVNFHJJYYSK-AWEZNQCLSA-N 2 2 338.879 3.408 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081632 455786084 /nfs/dbraw/zinc/78/60/84/455786084.db2.gz ZRYZTWUAJWTVHC-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081632 455786087 /nfs/dbraw/zinc/78/60/87/455786087.db2.gz ZRYZTWUAJWTVHC-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081632 455786092 /nfs/dbraw/zinc/78/60/92/455786092.db2.gz ZRYZTWUAJWTVHC-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081632 455786094 /nfs/dbraw/zinc/78/60/94/455786094.db2.gz ZRYZTWUAJWTVHC-QUCCMNQESA-N 2 2 325.456 3.470 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC(=O)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000269202628 455810912 /nfs/dbraw/zinc/81/09/12/455810912.db2.gz HYRSPLRANUVZGI-QGZVFWFLSA-N 2 2 348.878 3.188 20 0 EGADLP CN(CC[N@H+](C)C1CC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000186707515 455824455 /nfs/dbraw/zinc/82/44/55/455824455.db2.gz XNQYXLTXOWORID-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000186707515 455824457 /nfs/dbraw/zinc/82/44/57/455824457.db2.gz XNQYXLTXOWORID-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@H](CC[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000194303657 455825837 /nfs/dbraw/zinc/82/58/37/455825837.db2.gz HLPGCECCIQFNFV-GOSISDBHSA-N 3 2 329.532 3.328 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000252958102 455831397 /nfs/dbraw/zinc/83/13/97/455831397.db2.gz LAPXNEPYROULIH-ZLDLUXBVSA-N 2 2 326.893 3.234 20 0 EGADLP Cc1cccn2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[nH+]c12 ZINC000253432804 455848798 /nfs/dbraw/zinc/84/87/98/455848798.db2.gz OKIXOCONTLBRQZ-GOSISDBHSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1cccn2cc(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[nH+]c12 ZINC000253432804 455848803 /nfs/dbraw/zinc/84/88/03/455848803.db2.gz OKIXOCONTLBRQZ-GOSISDBHSA-N 2 2 340.471 3.056 20 0 EGADLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270122658 455882990 /nfs/dbraw/zinc/88/29/90/455882990.db2.gz FYLROXMLIHZRAB-KRWDZBQOSA-N 2 2 337.471 3.360 20 0 EGADLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270122658 455882993 /nfs/dbraw/zinc/88/29/93/455882993.db2.gz FYLROXMLIHZRAB-KRWDZBQOSA-N 2 2 337.471 3.360 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1C ZINC000285718567 455904612 /nfs/dbraw/zinc/90/46/12/455904612.db2.gz QAVPGBJIDPXTTF-MVCQKVDPSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1C ZINC000285718567 455904617 /nfs/dbraw/zinc/90/46/17/455904617.db2.gz QAVPGBJIDPXTTF-MVCQKVDPSA-N 2 2 343.515 3.038 20 0 EGADLP CC(=O)Nc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000285751960 455908812 /nfs/dbraw/zinc/90/88/12/455908812.db2.gz RRRYSCABWHWKKX-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000285751960 455908820 /nfs/dbraw/zinc/90/88/20/455908820.db2.gz RRRYSCABWHWKKX-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000285751960 455908823 /nfs/dbraw/zinc/90/88/23/455908823.db2.gz RRRYSCABWHWKKX-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1 ZINC000285751960 455908827 /nfs/dbraw/zinc/90/88/27/455908827.db2.gz RRRYSCABWHWKKX-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP Cc1nc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cs1 ZINC000272326793 455914349 /nfs/dbraw/zinc/91/43/49/455914349.db2.gz XCHOIKMOBBXMIQ-DOMZBBRYSA-N 2 2 331.489 3.160 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687797 455929089 /nfs/dbraw/zinc/92/90/89/455929089.db2.gz KLUCPXADWBRYOH-LEWJYISDSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687797 455929095 /nfs/dbraw/zinc/92/90/95/455929095.db2.gz KLUCPXADWBRYOH-LEWJYISDSA-N 2 2 345.531 3.294 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000280270993 455932332 /nfs/dbraw/zinc/93/23/32/455932332.db2.gz QYVMBEAAKGFFCX-OAHLLOKOSA-N 2 2 342.487 3.142 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000296474043 455948451 /nfs/dbraw/zinc/94/84/51/455948451.db2.gz PRBIOAPWAVDYCP-MRXNPFEDSA-N 2 2 341.503 3.271 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000296474043 455948458 /nfs/dbraw/zinc/94/84/58/455948458.db2.gz PRBIOAPWAVDYCP-MRXNPFEDSA-N 2 2 341.503 3.271 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OC(F)F ZINC000261812899 455952674 /nfs/dbraw/zinc/95/26/74/455952674.db2.gz VUEIKWSCAUTIQZ-GXTWGEPZSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])ccc1OC(F)F ZINC000261812899 455952680 /nfs/dbraw/zinc/95/26/80/455952680.db2.gz VUEIKWSCAUTIQZ-GXTWGEPZSA-N 2 2 328.403 3.246 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H](C[NH3+])C1 ZINC000261842097 455957273 /nfs/dbraw/zinc/95/72/73/455957273.db2.gz PRECYDKHKXIRNV-ZBFHGGJFSA-N 2 2 325.412 3.073 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261848488 455957855 /nfs/dbraw/zinc/95/78/55/455957855.db2.gz RGIWFGFTRGQXLX-HXUWFJFHSA-N 2 2 339.439 3.088 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261848488 455957861 /nfs/dbraw/zinc/95/78/61/455957861.db2.gz RGIWFGFTRGQXLX-HXUWFJFHSA-N 2 2 339.439 3.088 20 0 EGADLP CCc1cc(NCC2(C)CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000272461131 455958446 /nfs/dbraw/zinc/95/84/46/455958446.db2.gz LOTCITUJWZWFBL-UHFFFAOYSA-N 2 2 325.460 3.245 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280424851 455968822 /nfs/dbraw/zinc/96/88/22/455968822.db2.gz ZHVHEZZJNCUJCM-OAHLLOKOSA-N 2 2 347.894 3.084 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280424851 455968825 /nfs/dbraw/zinc/96/88/25/455968825.db2.gz ZHVHEZZJNCUJCM-OAHLLOKOSA-N 2 2 347.894 3.084 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000261920034 455971670 /nfs/dbraw/zinc/97/16/70/455971670.db2.gz BMQAFACRTSQNCL-LPHOPBHVSA-N 2 2 325.456 3.056 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000261920034 455971674 /nfs/dbraw/zinc/97/16/74/455971674.db2.gz BMQAFACRTSQNCL-LPHOPBHVSA-N 2 2 325.456 3.056 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnc(N)s1 ZINC000261932774 455974925 /nfs/dbraw/zinc/97/49/25/455974925.db2.gz CXADPJMRBFVMRS-CYBMUJFWSA-N 2 2 327.457 3.048 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnc(N)s1 ZINC000261932774 455974927 /nfs/dbraw/zinc/97/49/27/455974927.db2.gz CXADPJMRBFVMRS-CYBMUJFWSA-N 2 2 327.457 3.048 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000270666225 456010001 /nfs/dbraw/zinc/01/00/01/456010001.db2.gz QGAKFAIKDPBPCB-UHFFFAOYSA-N 2 2 331.847 3.440 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614267 456015456 /nfs/dbraw/zinc/01/54/56/456015456.db2.gz KWHONDFEFAKOOF-GJZGRUSLSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272614267 456015463 /nfs/dbraw/zinc/01/54/63/456015463.db2.gz KWHONDFEFAKOOF-GJZGRUSLSA-N 2 2 344.459 3.069 20 0 EGADLP C[N@H+](Cc1ccc(F)cc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188282812 456035632 /nfs/dbraw/zinc/03/56/32/456035632.db2.gz UMVBZRFNDTZDLI-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1ccc(F)cc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188282812 456035638 /nfs/dbraw/zinc/03/56/38/456035638.db2.gz UMVBZRFNDTZDLI-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)cc1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188282812 456035645 /nfs/dbraw/zinc/03/56/45/456035645.db2.gz UMVBZRFNDTZDLI-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1ccc(F)cc1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188282812 456035650 /nfs/dbraw/zinc/03/56/50/456035650.db2.gz UMVBZRFNDTZDLI-FQEVSTJZSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000272675430 456035764 /nfs/dbraw/zinc/03/57/64/456035764.db2.gz LZCJBYYVQMYJGX-CQSZACIVSA-N 2 2 349.466 3.357 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000270793172 456040186 /nfs/dbraw/zinc/04/01/86/456040186.db2.gz CRKZBCHHOZXING-UHFFFAOYSA-N 2 2 333.382 3.065 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700090 456044515 /nfs/dbraw/zinc/04/45/15/456044515.db2.gz YLNUOTFMUNBUEL-PXNSSMCTSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700090 456044519 /nfs/dbraw/zinc/04/45/19/456044519.db2.gz YLNUOTFMUNBUEL-PXNSSMCTSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700090 456044523 /nfs/dbraw/zinc/04/45/23/456044523.db2.gz YLNUOTFMUNBUEL-PXNSSMCTSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccccc3OCc3ccccn3)[C@H]2C1 ZINC000272700090 456044527 /nfs/dbraw/zinc/04/45/27/456044527.db2.gz YLNUOTFMUNBUEL-PXNSSMCTSA-N 2 2 337.467 3.187 20 0 EGADLP Cc1cccc([C@@H](CNc2nc(C)[nH+]c(C)c2C)[NH+]2CCOCC2)c1 ZINC000301438321 456116880 /nfs/dbraw/zinc/11/68/80/456116880.db2.gz LAWHTDCTTZIOEU-LJQANCHMSA-N 2 2 340.471 3.196 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000301519134 456137224 /nfs/dbraw/zinc/13/72/24/456137224.db2.gz HEPRSGXNIVLMAF-IRXDYDNUSA-N 2 2 325.460 3.440 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163798 456138348 /nfs/dbraw/zinc/13/83/48/456138348.db2.gz DAAYWDGCGBQVKZ-UTKZUKDTSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cccc(-c2ccncc2)c1 ZINC000297163798 456138350 /nfs/dbraw/zinc/13/83/50/456138350.db2.gz DAAYWDGCGBQVKZ-UTKZUKDTSA-N 2 2 339.483 3.246 20 0 EGADLP CC(C)C1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000236593420 456157932 /nfs/dbraw/zinc/15/79/32/456157932.db2.gz KDOWSVIKEWHHPS-FBPXKMNZSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)C1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000236593420 456157940 /nfs/dbraw/zinc/15/79/40/456157940.db2.gz KDOWSVIKEWHHPS-FBPXKMNZSA-N 2 2 330.516 3.210 20 0 EGADLP Cc1cn2cc(NC(=O)N3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC000333161400 456170009 /nfs/dbraw/zinc/17/00/09/456170009.db2.gz NZHLCSSNOAMQLR-WBVHZDCISA-N 2 2 341.459 3.029 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996783 456210682 /nfs/dbraw/zinc/21/06/82/456210682.db2.gz KVUZURVYYHBMEE-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996783 456210689 /nfs/dbraw/zinc/21/06/89/456210689.db2.gz KVUZURVYYHBMEE-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996783 456210697 /nfs/dbraw/zinc/21/06/97/456210697.db2.gz KVUZURVYYHBMEE-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000289996783 456210699 /nfs/dbraw/zinc/21/06/99/456210699.db2.gz KVUZURVYYHBMEE-PKOBYXMFSA-N 2 2 326.488 3.213 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189055734 456213244 /nfs/dbraw/zinc/21/32/44/456213244.db2.gz PJMASPRDWJKZPQ-UHFFFAOYSA-N 2 2 344.478 3.423 20 0 EGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000236995155 456215995 /nfs/dbraw/zinc/21/59/95/456215995.db2.gz MWVOPICDLPFNKB-ACJLOTCBSA-N 2 2 326.444 3.198 20 0 EGADLP CC(C)c1cc(N2CC[NH+](Cc3cccnc3)CC2)nc(C(C)C)[nH+]1 ZINC000301828450 456226003 /nfs/dbraw/zinc/22/60/03/456226003.db2.gz QHHCYLRYPXJAPE-UHFFFAOYSA-N 2 2 339.487 3.441 20 0 EGADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465019 456226717 /nfs/dbraw/zinc/22/67/17/456226717.db2.gz QMMYYOXJSWPMQV-DOMZBBRYSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465019 456226722 /nfs/dbraw/zinc/22/67/22/456226722.db2.gz QMMYYOXJSWPMQV-DOMZBBRYSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465019 456226727 /nfs/dbraw/zinc/22/67/27/456226727.db2.gz QMMYYOXJSWPMQV-DOMZBBRYSA-N 2 2 326.868 3.216 20 0 EGADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(Cl)c1O ZINC000297465019 456226730 /nfs/dbraw/zinc/22/67/30/456226730.db2.gz QMMYYOXJSWPMQV-DOMZBBRYSA-N 2 2 326.868 3.216 20 0 EGADLP Fc1cccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)c1 ZINC000301850041 456233081 /nfs/dbraw/zinc/23/30/81/456233081.db2.gz AQKMUMUVIODEAH-SFHVURJKSA-N 2 2 340.402 3.187 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c2ccccc21 ZINC000333838503 456267967 /nfs/dbraw/zinc/26/79/67/456267967.db2.gz NUDBMOJGKOXEFG-CEXWTWQISA-N 2 2 327.472 3.045 20 0 EGADLP CC(C)n1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000297647896 456270249 /nfs/dbraw/zinc/27/02/49/456270249.db2.gz MZWIYRBGZCNGMB-UHFFFAOYSA-N 2 2 335.455 3.334 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061875 456277933 /nfs/dbraw/zinc/27/79/33/456277933.db2.gz UDINRCUCSRUKIT-LSDHHAIUSA-N 2 2 346.523 3.126 20 0 EGADLP CC(C)c1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(N(C)C)[nH+]1 ZINC000302061875 456277937 /nfs/dbraw/zinc/27/79/37/456277937.db2.gz UDINRCUCSRUKIT-LSDHHAIUSA-N 2 2 346.523 3.126 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352761088 456283778 /nfs/dbraw/zinc/28/37/78/456283778.db2.gz UFVJLTDHRGWCQQ-GOSISDBHSA-N 2 2 340.467 3.458 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000352761088 456283784 /nfs/dbraw/zinc/28/37/84/456283784.db2.gz UFVJLTDHRGWCQQ-GOSISDBHSA-N 2 2 340.467 3.458 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(-n2cccn2)c1 ZINC000352761457 456284031 /nfs/dbraw/zinc/28/40/31/456284031.db2.gz XPTGHKOZCYSFBF-AWEZNQCLSA-N 2 2 341.484 3.241 20 0 EGADLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171908 456289346 /nfs/dbraw/zinc/28/93/46/456289346.db2.gz COXRZRKNIYZAJW-RTBURBONSA-N 2 2 325.456 3.405 20 0 EGADLP CCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340171908 456289352 /nfs/dbraw/zinc/28/93/52/456289352.db2.gz COXRZRKNIYZAJW-RTBURBONSA-N 2 2 325.456 3.405 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)s1 ZINC000352777453 456296860 /nfs/dbraw/zinc/29/68/60/456296860.db2.gz BOWDRGUTBDPTBA-UHFFFAOYSA-N 2 2 346.500 3.211 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000340195778 456306729 /nfs/dbraw/zinc/30/67/29/456306729.db2.gz GUWHZOBDCUIYRZ-ZVDOUQERSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000340195778 456306738 /nfs/dbraw/zinc/30/67/38/456306738.db2.gz GUWHZOBDCUIYRZ-ZVDOUQERSA-N 2 2 349.478 3.217 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793172 456310930 /nfs/dbraw/zinc/31/09/30/456310930.db2.gz VSGIFKFSCNWJOI-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793172 456310939 /nfs/dbraw/zinc/31/09/39/456310939.db2.gz VSGIFKFSCNWJOI-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793172 456310943 /nfs/dbraw/zinc/31/09/43/456310943.db2.gz VSGIFKFSCNWJOI-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336793172 456310948 /nfs/dbraw/zinc/31/09/48/456310948.db2.gz VSGIFKFSCNWJOI-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244451 456337349 /nfs/dbraw/zinc/33/73/49/456337349.db2.gz AMJWOCWQYIZFDS-VQTJNVASSA-N 3 2 326.488 3.397 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340244451 456337354 /nfs/dbraw/zinc/33/73/54/456337354.db2.gz AMJWOCWQYIZFDS-VQTJNVASSA-N 3 2 326.488 3.397 20 0 EGADLP C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985458 456338389 /nfs/dbraw/zinc/33/83/89/456338389.db2.gz YJDYEDVXNHGPEL-FUHWJXTLSA-N 2 2 340.471 3.014 20 0 EGADLP C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000297985458 456338397 /nfs/dbraw/zinc/33/83/97/456338397.db2.gz YJDYEDVXNHGPEL-FUHWJXTLSA-N 2 2 340.471 3.014 20 0 EGADLP COc1cccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000340254408 456343030 /nfs/dbraw/zinc/34/30/30/456343030.db2.gz HLVGVOANMKSGHF-XLIONFOSSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000340254408 456343033 /nfs/dbraw/zinc/34/30/33/456343033.db2.gz HLVGVOANMKSGHF-XLIONFOSSA-N 2 2 339.483 3.275 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290501528 456346737 /nfs/dbraw/zinc/34/67/37/456346737.db2.gz WPETYZUOFGVYHD-MPGHIAIKSA-N 2 2 345.512 3.197 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290501528 456346740 /nfs/dbraw/zinc/34/67/40/456346740.db2.gz WPETYZUOFGVYHD-MPGHIAIKSA-N 2 2 345.512 3.197 20 0 EGADLP COc1cccc2c(NC[C@H](C(C)C)[NH+]3CCOCC3)cc[nH+]c12 ZINC000302491358 456348873 /nfs/dbraw/zinc/34/88/73/456348873.db2.gz ZCYXLMCXDDFUFK-QGZVFWFLSA-N 2 2 329.444 3.012 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(OC(F)F)cc1C ZINC000347768922 456358508 /nfs/dbraw/zinc/35/85/08/456358508.db2.gz FALRLHWLBZUQHH-HNNXBMFYSA-N 2 2 342.430 3.105 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000340299557 456371238 /nfs/dbraw/zinc/37/12/38/456371238.db2.gz ZQZFRRVHQKDQLM-XUVXKRRUSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C[C@@H]1c1ccccc1 ZINC000340299557 456371244 /nfs/dbraw/zinc/37/12/44/456371244.db2.gz ZQZFRRVHQKDQLM-XUVXKRRUSA-N 2 2 328.431 3.284 20 0 EGADLP COc1cccc2c(NCC3([NH+](C)C)CCOCC3)c(C)c[nH+]c12 ZINC000276154803 456401565 /nfs/dbraw/zinc/40/15/65/456401565.db2.gz FEZFHKXWGJJREW-UHFFFAOYSA-N 2 2 329.444 3.075 20 0 EGADLP CC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](COC)Cc1ccccc1 ZINC000347870779 456417079 /nfs/dbraw/zinc/41/70/79/456417079.db2.gz RZULMKZRZUVZLQ-QGZVFWFLSA-N 2 2 347.528 3.284 20 0 EGADLP CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](COC)Cc1ccccc1 ZINC000347870779 456417083 /nfs/dbraw/zinc/41/70/83/456417083.db2.gz RZULMKZRZUVZLQ-QGZVFWFLSA-N 2 2 347.528 3.284 20 0 EGADLP Cn1cc(-c2ccc(C[NH2+]CCCNc3cccc[nH+]3)s2)cn1 ZINC000282136872 456423322 /nfs/dbraw/zinc/42/33/22/456423322.db2.gz ANDYRMMYGFMKPQ-UHFFFAOYSA-N 2 2 327.457 3.135 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)[NH+](C)C)cc1 ZINC000298345310 456430853 /nfs/dbraw/zinc/43/08/53/456430853.db2.gz JNISWJLWMBPGBX-NRFANRHFSA-N 3 2 338.499 3.251 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000282195369 456439376 /nfs/dbraw/zinc/43/93/76/456439376.db2.gz NPYVKBJYJXJHBT-VDZJLULYSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000282195369 456439381 /nfs/dbraw/zinc/43/93/81/456439381.db2.gz NPYVKBJYJXJHBT-VDZJLULYSA-N 2 2 326.488 3.290 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015622 456441616 /nfs/dbraw/zinc/44/16/16/456441616.db2.gz LGGOHZHSFNTGLD-UXHICEINSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000303015622 456441626 /nfs/dbraw/zinc/44/16/26/456441626.db2.gz LGGOHZHSFNTGLD-UXHICEINSA-N 2 2 349.563 3.221 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475668 456483232 /nfs/dbraw/zinc/48/32/32/456483232.db2.gz MQZLSLXHBJKIJZ-UXHICEINSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475668 456483243 /nfs/dbraw/zinc/48/32/43/456483243.db2.gz MQZLSLXHBJKIJZ-UXHICEINSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266438 456460583 /nfs/dbraw/zinc/46/05/83/456460583.db2.gz AFWMMOWSBXCPOH-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266438 456460586 /nfs/dbraw/zinc/46/05/86/456460586.db2.gz AFWMMOWSBXCPOH-VQIMIIECSA-N 2 2 326.488 3.371 20 0 EGADLP Cc1ccncc1CCCNc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000348109137 456487212 /nfs/dbraw/zinc/48/72/12/456487212.db2.gz CPKUOBAUNTXNEI-IRXDYDNUSA-N 2 2 340.471 3.443 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000348109137 456487217 /nfs/dbraw/zinc/48/72/17/456487217.db2.gz CPKUOBAUNTXNEI-IRXDYDNUSA-N 2 2 340.471 3.443 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000282376557 456494362 /nfs/dbraw/zinc/49/43/62/456494362.db2.gz CODLFVOYTYBCQM-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000282376557 456494365 /nfs/dbraw/zinc/49/43/65/456494365.db2.gz CODLFVOYTYBCQM-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP Brc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)o1 ZINC000353133940 456514632 /nfs/dbraw/zinc/51/46/32/456514632.db2.gz GRXYAOBTKGFQPB-UHFFFAOYSA-N 2 2 333.189 3.294 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000353152147 456525071 /nfs/dbraw/zinc/52/50/71/456525071.db2.gz HHAMMCMTCHNIRI-VHRCFOOQSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000353152147 456525075 /nfs/dbraw/zinc/52/50/75/456525075.db2.gz HHAMMCMTCHNIRI-VHRCFOOQSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000353152147 456525082 /nfs/dbraw/zinc/52/50/82/456525082.db2.gz HHAMMCMTCHNIRI-VHRCFOOQSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000353152147 456525088 /nfs/dbraw/zinc/52/50/88/456525088.db2.gz HHAMMCMTCHNIRI-VHRCFOOQSA-N 2 2 343.515 3.057 20 0 EGADLP Cc1cccc2ncc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)n21 ZINC000348195377 456528726 /nfs/dbraw/zinc/52/87/26/456528726.db2.gz XADDLCAPYMUPML-UHFFFAOYSA-N 2 2 331.423 3.177 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282507540 456536270 /nfs/dbraw/zinc/53/62/70/456536270.db2.gz OFMQZFMGVYPJKZ-LJQANCHMSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282507540 456536277 /nfs/dbraw/zinc/53/62/77/456536277.db2.gz OFMQZFMGVYPJKZ-LJQANCHMSA-N 3 2 326.488 3.082 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000348323124 456621274 /nfs/dbraw/zinc/62/12/74/456621274.db2.gz JJKSHEBZRLMBKZ-DBVUQKKJSA-N 2 2 333.520 3.006 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000348323124 456621282 /nfs/dbraw/zinc/62/12/82/456621282.db2.gz JJKSHEBZRLMBKZ-DBVUQKKJSA-N 2 2 333.520 3.006 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000348330479 456629505 /nfs/dbraw/zinc/62/95/05/456629505.db2.gz NWNFSWYTUSQDFW-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)s1 ZINC000348362079 456649232 /nfs/dbraw/zinc/64/92/32/456649232.db2.gz UVLWHSSIXCVAIL-KRWDZBQOSA-N 2 2 333.501 3.054 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660817 /nfs/dbraw/zinc/66/08/17/456660817.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660823 /nfs/dbraw/zinc/66/08/23/456660823.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660831 /nfs/dbraw/zinc/66/08/31/456660831.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000343497161 456660838 /nfs/dbraw/zinc/66/08/38/456660838.db2.gz JYIZNRVHWYGSLO-LVCYWYKZSA-N 3 2 329.532 3.348 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)[C@@H]1SC ZINC000291506943 456664780 /nfs/dbraw/zinc/66/47/80/456664780.db2.gz WOUMIHOFNWNZEG-FDPIWHGQSA-N 2 2 349.544 3.106 20 0 EGADLP c1snnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291517996 456667085 /nfs/dbraw/zinc/66/70/85/456667085.db2.gz YNZXCMJCJMVUPW-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP c1snnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291517996 456667091 /nfs/dbraw/zinc/66/70/91/456667091.db2.gz YNZXCMJCJMVUPW-UHFFFAOYSA-N 2 2 328.485 3.026 20 0 EGADLP CCC[NH+]1CCC(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277151984 456699485 /nfs/dbraw/zinc/69/94/85/456699485.db2.gz QJLQLAVTZKRPSD-HXUWFJFHSA-N 2 2 347.572 3.068 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000340839565 456711329 /nfs/dbraw/zinc/71/13/29/456711329.db2.gz BFXOVWWUWJIOOH-UHFFFAOYSA-N 2 2 341.293 3.375 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000340839565 456711341 /nfs/dbraw/zinc/71/13/41/456711341.db2.gz BFXOVWWUWJIOOH-UHFFFAOYSA-N 2 2 341.293 3.375 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000277208266 456725447 /nfs/dbraw/zinc/72/54/47/456725447.db2.gz NBKMPNCUPFBSBQ-FQEVSTJZSA-N 2 2 343.515 3.229 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000277208266 456725456 /nfs/dbraw/zinc/72/54/56/456725456.db2.gz NBKMPNCUPFBSBQ-FQEVSTJZSA-N 2 2 343.515 3.229 20 0 EGADLP CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655546 456729130 /nfs/dbraw/zinc/72/91/30/456729130.db2.gz MZRMHJZUYRYFBE-KBPBESRZSA-N 2 2 329.448 3.105 20 0 EGADLP CCc1nnc([C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655546 456729133 /nfs/dbraw/zinc/72/91/33/456729133.db2.gz MZRMHJZUYRYFBE-KBPBESRZSA-N 2 2 329.448 3.105 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277285979 456760908 /nfs/dbraw/zinc/76/09/08/456760908.db2.gz SQRLDMRENMMRPP-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277285979 456760911 /nfs/dbraw/zinc/76/09/11/456760911.db2.gz SQRLDMRENMMRPP-GDBMZVCRSA-N 2 2 335.517 3.152 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329143 456780175 /nfs/dbraw/zinc/78/01/75/456780175.db2.gz VLSDUUODHUVGDU-SXLOBPIMSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277329143 456780182 /nfs/dbraw/zinc/78/01/82/456780182.db2.gz VLSDUUODHUVGDU-SXLOBPIMSA-N 2 2 345.531 3.449 20 0 EGADLP COc1ccc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)cc1OC ZINC000301087352 456793876 /nfs/dbraw/zinc/79/38/76/456793876.db2.gz QMSPQAOSOZSRGY-INIZCTEOSA-N 2 2 340.427 3.295 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CS1 ZINC000277390669 456805687 /nfs/dbraw/zinc/80/56/87/456805687.db2.gz YEJGLDLSKGHERX-OALUTQOASA-N 2 2 334.529 3.139 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000344289398 456813199 /nfs/dbraw/zinc/81/31/99/456813199.db2.gz KSKVCTYXUYTWQU-QUCCMNQESA-N 2 2 330.516 3.429 20 0 EGADLP C[C@H](CCO)C1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000344289398 456813201 /nfs/dbraw/zinc/81/32/01/456813201.db2.gz KSKVCTYXUYTWQU-QUCCMNQESA-N 2 2 330.516 3.429 20 0 EGADLP Cc1cc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc[nH+]1 ZINC000301239012 456830849 /nfs/dbraw/zinc/83/08/49/456830849.db2.gz IZHNVTOGDPWTHM-UHFFFAOYSA-N 2 2 345.878 3.063 20 0 EGADLP CCc1nc(NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000341359573 456854256 /nfs/dbraw/zinc/85/42/56/456854256.db2.gz RMRBTFATRAMUOS-KRWDZBQOSA-N 2 2 340.471 3.027 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948883 456870032 /nfs/dbraw/zinc/87/00/32/456870032.db2.gz OMDKIWALLWGRGB-QAPCUYQASA-N 2 2 341.503 3.189 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948883 456870034 /nfs/dbraw/zinc/87/00/34/456870034.db2.gz OMDKIWALLWGRGB-QAPCUYQASA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948883 456870036 /nfs/dbraw/zinc/87/00/36/456870036.db2.gz OMDKIWALLWGRGB-QAPCUYQASA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@H]1C ZINC000338948883 456870037 /nfs/dbraw/zinc/87/00/37/456870037.db2.gz OMDKIWALLWGRGB-QAPCUYQASA-N 2 2 341.503 3.189 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C[C@@H]1C ZINC000348833975 456876683 /nfs/dbraw/zinc/87/66/83/456876683.db2.gz OSPBCGCESGCIFF-USXIJHARSA-N 2 2 342.443 3.106 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[NH+](C)C)CC1 ZINC000344960404 456879309 /nfs/dbraw/zinc/87/93/09/456879309.db2.gz AZXAJHLKQGGFDS-UHFFFAOYSA-N 2 2 343.471 3.099 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749586 456887904 /nfs/dbraw/zinc/88/79/04/456887904.db2.gz VQZWYVGLXCAVMT-HUUCEWRRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749586 456887909 /nfs/dbraw/zinc/88/79/09/456887909.db2.gz VQZWYVGLXCAVMT-HUUCEWRRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749586 456887913 /nfs/dbraw/zinc/88/79/13/456887913.db2.gz VQZWYVGLXCAVMT-HUUCEWRRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC000353749586 456887916 /nfs/dbraw/zinc/88/79/16/456887916.db2.gz VQZWYVGLXCAVMT-HUUCEWRRSA-N 2 2 336.476 3.017 20 0 EGADLP CCc1nc(C(C)C)ccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000339055122 456918365 /nfs/dbraw/zinc/91/83/65/456918365.db2.gz WQYFUXNHCPFCDJ-UHFFFAOYSA-N 2 2 346.563 3.225 20 0 EGADLP CCc1nc(C(C)C)ccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339055122 456918368 /nfs/dbraw/zinc/91/83/68/456918368.db2.gz WQYFUXNHCPFCDJ-UHFFFAOYSA-N 2 2 346.563 3.225 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C(C)(C)C)C1 ZINC000353815914 456919767 /nfs/dbraw/zinc/91/97/67/456919767.db2.gz DYGYJLWKOAMREE-QEEHTWDDSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C(C)(C)C)C1 ZINC000353815914 456919770 /nfs/dbraw/zinc/91/97/70/456919770.db2.gz DYGYJLWKOAMREE-QEEHTWDDSA-N 2 2 343.515 3.105 20 0 EGADLP C[C@@H]1CN(C/C=C/c2ccc(F)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349272592 456928221 /nfs/dbraw/zinc/92/82/21/456928221.db2.gz ATOZUMJFJIXKRL-QDLOVBKTSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@@H]1CN(C/C=C/c2ccc(F)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349272592 456928225 /nfs/dbraw/zinc/92/82/25/456928225.db2.gz ATOZUMJFJIXKRL-QDLOVBKTSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272592 456928228 /nfs/dbraw/zinc/92/82/28/456928228.db2.gz ATOZUMJFJIXKRL-QDLOVBKTSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272592 456928232 /nfs/dbraw/zinc/92/82/32/456928232.db2.gz ATOZUMJFJIXKRL-QDLOVBKTSA-N 2 2 349.469 3.078 20 0 EGADLP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000339081905 456931234 /nfs/dbraw/zinc/93/12/34/456931234.db2.gz NDPOUHZMYPAMET-FQEVSTJZSA-N 2 2 345.462 3.118 20 0 EGADLP Cc1ccc2[nH+]cc(CN(CC[NH+](C)C)Cc3cccs3)n2c1 ZINC000349300786 456936432 /nfs/dbraw/zinc/93/64/32/456936432.db2.gz UFEOFNLOGGJLDG-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP C[C@H]1CN(Cc2cc(Cl)ccc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349315190 456938783 /nfs/dbraw/zinc/93/87/83/456938783.db2.gz KXFBPADTTNFWGW-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2cc(Cl)ccc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349315190 456938785 /nfs/dbraw/zinc/93/87/85/456938785.db2.gz KXFBPADTTNFWGW-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179828 456956008 /nfs/dbraw/zinc/95/60/08/456956008.db2.gz AWIOTGROGKEYBX-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179828 456956011 /nfs/dbraw/zinc/95/60/11/456956011.db2.gz AWIOTGROGKEYBX-FOIQADDNSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000345291618 456973717 /nfs/dbraw/zinc/97/37/17/456973717.db2.gz BLYAMASDIXVFBB-DEYYWGMASA-N 2 2 347.894 3.202 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000345291618 456973721 /nfs/dbraw/zinc/97/37/21/456973721.db2.gz BLYAMASDIXVFBB-DEYYWGMASA-N 2 2 347.894 3.202 20 0 EGADLP COCC1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341902583 456993384 /nfs/dbraw/zinc/99/33/84/456993384.db2.gz FTQFQPJKNUGIPX-FQEVSTJZSA-N 2 2 346.515 3.026 20 0 EGADLP COCC1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341902583 456993386 /nfs/dbraw/zinc/99/33/86/456993386.db2.gz FTQFQPJKNUGIPX-FQEVSTJZSA-N 2 2 346.515 3.026 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c[nH+]1 ZINC000339223760 457001232 /nfs/dbraw/zinc/00/12/32/457001232.db2.gz UQCKUAOLEPMLKA-GJZGRUSLSA-N 2 2 340.471 3.126 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000349651193 457006649 /nfs/dbraw/zinc/00/66/49/457006649.db2.gz BXIJKGPRXOZRCS-HXUWFJFHSA-N 2 2 346.446 3.331 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000349651193 457006656 /nfs/dbraw/zinc/00/66/56/457006656.db2.gz BXIJKGPRXOZRCS-HXUWFJFHSA-N 2 2 346.446 3.331 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1SC ZINC000354026254 457018917 /nfs/dbraw/zinc/01/89/17/457018917.db2.gz PYYWKBNEZSNEBU-MRXNPFEDSA-N 2 2 330.453 3.465 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1SC ZINC000354026254 457018921 /nfs/dbraw/zinc/01/89/21/457018921.db2.gz PYYWKBNEZSNEBU-MRXNPFEDSA-N 2 2 330.453 3.465 20 0 EGADLP COC1CCC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000349717987 457025252 /nfs/dbraw/zinc/02/52/52/457025252.db2.gz DTWIYQBDVSTWQM-QUWFBVPJSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000349717987 457025260 /nfs/dbraw/zinc/02/52/60/457025260.db2.gz DTWIYQBDVSTWQM-QUWFBVPJSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000339328997 457056119 /nfs/dbraw/zinc/05/61/19/457056119.db2.gz MENHEDKGGYTFKD-PMACEKPBSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000339328997 457056124 /nfs/dbraw/zinc/05/61/24/457056124.db2.gz MENHEDKGGYTFKD-PMACEKPBSA-N 2 2 344.886 3.373 20 0 EGADLP COc1cc2c(c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c1)O[C@H](C)C2 ZINC000349800444 457056452 /nfs/dbraw/zinc/05/64/52/457056452.db2.gz DKCRUZDDALCMON-MRXNPFEDSA-N 2 2 344.499 3.469 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354100402 457061997 /nfs/dbraw/zinc/06/19/97/457061997.db2.gz MDMIUNJWQHOCRA-INIZCTEOSA-N 2 2 336.549 3.153 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)s1 ZINC000354100402 457062001 /nfs/dbraw/zinc/06/20/01/457062001.db2.gz MDMIUNJWQHOCRA-INIZCTEOSA-N 2 2 336.549 3.153 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)s1 ZINC000354100402 457062006 /nfs/dbraw/zinc/06/20/06/457062006.db2.gz MDMIUNJWQHOCRA-INIZCTEOSA-N 2 2 336.549 3.153 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000354100402 457062008 /nfs/dbraw/zinc/06/20/08/457062008.db2.gz MDMIUNJWQHOCRA-INIZCTEOSA-N 2 2 336.549 3.153 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177759 457111678 /nfs/dbraw/zinc/11/16/78/457111678.db2.gz QZIJHHQQDWZKJN-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177759 457111686 /nfs/dbraw/zinc/11/16/86/457111686.db2.gz QZIJHHQQDWZKJN-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177759 457111692 /nfs/dbraw/zinc/11/16/92/457111692.db2.gz QZIJHHQQDWZKJN-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1 ZINC000354177759 457111699 /nfs/dbraw/zinc/11/16/99/457111699.db2.gz QZIJHHQQDWZKJN-IBGZPJMESA-N 2 2 344.890 3.443 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436043 457118330 /nfs/dbraw/zinc/11/83/30/457118330.db2.gz BTPRYRSUPIRGOA-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436043 457118333 /nfs/dbraw/zinc/11/83/33/457118333.db2.gz BTPRYRSUPIRGOA-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436043 457118335 /nfs/dbraw/zinc/11/83/35/457118335.db2.gz BTPRYRSUPIRGOA-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436043 457118338 /nfs/dbraw/zinc/11/83/38/457118338.db2.gz BTPRYRSUPIRGOA-QGZVFWFLSA-N 2 2 326.843 3.276 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@H]1C ZINC000354204768 457127797 /nfs/dbraw/zinc/12/77/97/457127797.db2.gz OTIRJLKCRFTQAQ-LMMKCTJWSA-N 2 2 331.504 3.011 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@H]1C ZINC000354204768 457127801 /nfs/dbraw/zinc/12/78/01/457127801.db2.gz OTIRJLKCRFTQAQ-LMMKCTJWSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@H]1C ZINC000354204768 457127805 /nfs/dbraw/zinc/12/78/05/457127805.db2.gz OTIRJLKCRFTQAQ-LMMKCTJWSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C[C@H]1C ZINC000354204768 457127809 /nfs/dbraw/zinc/12/78/09/457127809.db2.gz OTIRJLKCRFTQAQ-LMMKCTJWSA-N 2 2 331.504 3.011 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224303 457140029 /nfs/dbraw/zinc/14/00/29/457140029.db2.gz NCXHPSIGBOGOLF-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224303 457140038 /nfs/dbraw/zinc/14/00/38/457140038.db2.gz NCXHPSIGBOGOLF-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224303 457140042 /nfs/dbraw/zinc/14/00/42/457140042.db2.gz NCXHPSIGBOGOLF-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224303 457140050 /nfs/dbraw/zinc/14/00/50/457140050.db2.gz NCXHPSIGBOGOLF-OCCSQVGLSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+](CC)CCOc1ccc(CNc2cc[nH+]c(C(C)C)n2)cc1 ZINC000346738343 457140197 /nfs/dbraw/zinc/14/01/97/457140197.db2.gz AYFGLKBZIRVLBO-UHFFFAOYSA-N 2 2 342.487 3.355 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000346783840 457168354 /nfs/dbraw/zinc/16/83/54/457168354.db2.gz AIIFJHHKDOFJKY-MPGHIAIKSA-N 2 2 332.492 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000346783840 457168360 /nfs/dbraw/zinc/16/83/60/457168360.db2.gz AIIFJHHKDOFJKY-MPGHIAIKSA-N 2 2 332.492 3.350 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609283 457172486 /nfs/dbraw/zinc/17/24/86/457172486.db2.gz SNKNDMFUSYJHKO-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609283 457172491 /nfs/dbraw/zinc/17/24/91/457172491.db2.gz SNKNDMFUSYJHKO-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609283 457172495 /nfs/dbraw/zinc/17/24/95/457172495.db2.gz SNKNDMFUSYJHKO-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1)C1CC1 ZINC000339609283 457172499 /nfs/dbraw/zinc/17/24/99/457172499.db2.gz SNKNDMFUSYJHKO-IRLDBZIGSA-N 2 2 336.479 3.089 20 0 EGADLP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000347006112 457196467 /nfs/dbraw/zinc/19/64/67/457196467.db2.gz MIPBOLSORUZWDX-LPHOPBHVSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000347006112 457196474 /nfs/dbraw/zinc/19/64/74/457196474.db2.gz MIPBOLSORUZWDX-LPHOPBHVSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000347006112 457196477 /nfs/dbraw/zinc/19/64/77/457196477.db2.gz MIPBOLSORUZWDX-LPHOPBHVSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000347006112 457196482 /nfs/dbraw/zinc/19/64/82/457196482.db2.gz MIPBOLSORUZWDX-LPHOPBHVSA-N 2 2 329.488 3.156 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)OC(C)C ZINC000339661728 457198885 /nfs/dbraw/zinc/19/88/85/457198885.db2.gz XGHYOPVVLAINMP-INIZCTEOSA-N 2 2 329.444 3.151 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)OC(C)C ZINC000339661728 457198886 /nfs/dbraw/zinc/19/88/86/457198886.db2.gz XGHYOPVVLAINMP-INIZCTEOSA-N 2 2 329.444 3.151 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000347077523 457218396 /nfs/dbraw/zinc/21/83/96/457218396.db2.gz VRPSKEIXHLRQKZ-CHWSQXEVSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1OC(F)F ZINC000347077523 457218398 /nfs/dbraw/zinc/21/83/98/457218398.db2.gz VRPSKEIXHLRQKZ-CHWSQXEVSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000347078626 457219484 /nfs/dbraw/zinc/21/94/84/457219484.db2.gz WETZVNSXPNFOJC-YIONKMFJSA-N 2 2 340.414 3.402 20 0 EGADLP CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000347078626 457219491 /nfs/dbraw/zinc/21/94/91/457219491.db2.gz WETZVNSXPNFOJC-YIONKMFJSA-N 2 2 340.414 3.402 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000347094056 457225719 /nfs/dbraw/zinc/22/57/19/457225719.db2.gz HOVCJULLBSUQOE-CYBMUJFWSA-N 2 2 341.293 3.409 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347094056 457225727 /nfs/dbraw/zinc/22/57/27/457225727.db2.gz HOVCJULLBSUQOE-CYBMUJFWSA-N 2 2 341.293 3.409 20 0 EGADLP CCOC[C@@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000354458148 457236562 /nfs/dbraw/zinc/23/65/62/457236562.db2.gz JDZLERZHUFIFML-LPHOPBHVSA-N 2 2 346.519 3.229 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1)CCC2 ZINC000360080249 457244294 /nfs/dbraw/zinc/24/42/94/457244294.db2.gz VEJHOGGULKXIDZ-DOTOQJQBSA-N 2 2 340.471 3.100 20 0 EGADLP Brc1c[nH+]ccc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000342419080 457293567 /nfs/dbraw/zinc/29/35/67/457293567.db2.gz UNMMZUCZOWDUGM-UHFFFAOYSA-N 2 2 329.201 3.064 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000339828457 457296709 /nfs/dbraw/zinc/29/67/09/457296709.db2.gz AUZAHAFPHICGNV-UHFFFAOYSA-N 2 2 325.456 3.025 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347229713 457300111 /nfs/dbraw/zinc/30/01/11/457300111.db2.gz XQGBILJJNGXNIR-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347229713 457300115 /nfs/dbraw/zinc/30/01/15/457300115.db2.gz XQGBILJJNGXNIR-GXTWGEPZSA-N 2 2 326.868 3.307 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccsc2S1 ZINC000360340361 457303157 /nfs/dbraw/zinc/30/31/57/457303157.db2.gz YVUBXPORVBNQEG-DOMZBBRYSA-N 2 2 326.531 3.110 20 0 EGADLP C[C@@H](CC1CCOCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000347281344 457328023 /nfs/dbraw/zinc/32/80/23/457328023.db2.gz YBKVPRSGEMALOB-INIZCTEOSA-N 2 2 346.519 3.229 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363459105 457336512 /nfs/dbraw/zinc/33/65/12/457336512.db2.gz HFPIVAMWAUIBNI-CYBMUJFWSA-N 2 2 325.865 3.370 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000363459105 457336519 /nfs/dbraw/zinc/33/65/19/457336519.db2.gz HFPIVAMWAUIBNI-CYBMUJFWSA-N 2 2 325.865 3.370 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363565313 457367142 /nfs/dbraw/zinc/36/71/42/457367142.db2.gz CKXRZIQSIQKDGP-PBHICJAKSA-N 2 2 342.443 3.015 20 0 EGADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363565313 457367146 /nfs/dbraw/zinc/36/71/46/457367146.db2.gz CKXRZIQSIQKDGP-PBHICJAKSA-N 2 2 342.443 3.015 20 0 EGADLP Cn1c(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)nc2cc(Cl)ccc21 ZINC000369772855 457393109 /nfs/dbraw/zinc/39/31/09/457393109.db2.gz NEDNULIWHCLPER-GFCCVEGCSA-N 2 2 329.835 3.090 20 0 EGADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360943579 457451086 /nfs/dbraw/zinc/45/10/86/457451086.db2.gz WBUONKOOMKJLFI-ROUUACIJSA-N 3 2 330.520 3.008 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000352545910 457456315 /nfs/dbraw/zinc/45/63/15/457456315.db2.gz NFOSBVAAGZGMLL-AWEZNQCLSA-N 2 2 326.868 3.451 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc(Cl)c1OC ZINC000352545910 457456323 /nfs/dbraw/zinc/45/63/23/457456323.db2.gz NFOSBVAAGZGMLL-AWEZNQCLSA-N 2 2 326.868 3.451 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425354769 457516255 /nfs/dbraw/zinc/51/62/55/457516255.db2.gz SQYYYEWUAIGMLF-PZJWPPBQSA-N 2 2 346.478 3.349 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425354769 457516259 /nfs/dbraw/zinc/51/62/59/457516259.db2.gz SQYYYEWUAIGMLF-PZJWPPBQSA-N 2 2 346.478 3.349 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)n1C ZINC000425372948 457525920 /nfs/dbraw/zinc/52/59/20/457525920.db2.gz URKHLWYDSDZECI-UHFFFAOYSA-N 2 2 348.441 3.219 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389140 457532169 /nfs/dbraw/zinc/53/21/69/457532169.db2.gz XEXFQXLXDQNANN-QAPCUYQASA-N 2 2 342.487 3.468 20 0 EGADLP COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389140 457532172 /nfs/dbraw/zinc/53/21/72/457532172.db2.gz XEXFQXLXDQNANN-QAPCUYQASA-N 2 2 342.487 3.468 20 0 EGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389138 457532534 /nfs/dbraw/zinc/53/25/34/457532534.db2.gz XEXFQXLXDQNANN-CRAIPNDOSA-N 2 2 342.487 3.468 20 0 EGADLP COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425389138 457532544 /nfs/dbraw/zinc/53/25/44/457532544.db2.gz XEXFQXLXDQNANN-CRAIPNDOSA-N 2 2 342.487 3.468 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cn2)c[nH+]1 ZINC000374233406 457536556 /nfs/dbraw/zinc/53/65/56/457536556.db2.gz ZZMPQRQZGKVVPV-OAHLLOKOSA-N 2 2 329.407 3.006 20 0 EGADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061371 457555244 /nfs/dbraw/zinc/55/52/44/457555244.db2.gz ZGWKMKPVBXSPJC-AWEZNQCLSA-N 2 2 329.448 3.397 20 0 EGADLP CCc1ccc2c(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000408513681 457572464 /nfs/dbraw/zinc/57/24/64/457572464.db2.gz VUGFDBGPUNVDGU-OAHLLOKOSA-N 2 2 337.423 3.078 20 0 EGADLP CCc1ccc2c(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)cc(=O)oc2c1 ZINC000408513681 457572471 /nfs/dbraw/zinc/57/24/71/457572471.db2.gz VUGFDBGPUNVDGU-OAHLLOKOSA-N 2 2 337.423 3.078 20 0 EGADLP CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352748749 457579400 /nfs/dbraw/zinc/57/94/00/457579400.db2.gz JQXFNCGFRDFVCR-INIZCTEOSA-N 2 2 331.485 3.381 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ccccc2Cl)s1 ZINC000352756456 457584761 /nfs/dbraw/zinc/58/47/61/457584761.db2.gz RBJISLORXWPJMY-UHFFFAOYSA-N 2 2 325.865 3.027 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2c(C)cccc2C)CC1 ZINC000361147968 457614003 /nfs/dbraw/zinc/61/40/03/457614003.db2.gz YZHFJKVUZPPCDN-KRWDZBQOSA-N 2 2 332.488 3.372 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199167 457642541 /nfs/dbraw/zinc/64/25/41/457642541.db2.gz BWTYPMQAWOIYEG-YJBOKZPZSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000361199167 457642543 /nfs/dbraw/zinc/64/25/43/457642543.db2.gz BWTYPMQAWOIYEG-YJBOKZPZSA-N 2 2 326.488 3.432 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944644 457656708 /nfs/dbraw/zinc/65/67/08/457656708.db2.gz NTBTWSPSFWVJMI-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425944644 457656710 /nfs/dbraw/zinc/65/67/10/457656710.db2.gz NTBTWSPSFWVJMI-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccc(F)cc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425944644 457656714 /nfs/dbraw/zinc/65/67/14/457656714.db2.gz NTBTWSPSFWVJMI-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccc(F)cc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425944644 457656717 /nfs/dbraw/zinc/65/67/17/457656717.db2.gz NTBTWSPSFWVJMI-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP CC(C)[C@H](C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479135 457657966 /nfs/dbraw/zinc/65/79/66/457657966.db2.gz YZFHRCLFOULDSV-ILWGZMRPSA-N 2 2 343.559 3.384 20 0 EGADLP CC(C)[C@H](C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000370479135 457657970 /nfs/dbraw/zinc/65/79/70/457657970.db2.gz YZFHRCLFOULDSV-ILWGZMRPSA-N 2 2 343.559 3.384 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000361236206 457661697 /nfs/dbraw/zinc/66/16/97/457661697.db2.gz ICICXMOSUXJOCJ-IRXDYDNUSA-N 2 2 326.525 3.058 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC000357807793 457697536 /nfs/dbraw/zinc/69/75/36/457697536.db2.gz AVAZULXYKTTWAV-ZWKOTPCHSA-N 2 2 347.466 3.225 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC000357807793 457697538 /nfs/dbraw/zinc/69/75/38/457697538.db2.gz AVAZULXYKTTWAV-ZWKOTPCHSA-N 2 2 347.466 3.225 20 0 EGADLP CCS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361440496 457733114 /nfs/dbraw/zinc/73/31/14/457733114.db2.gz OQATXIBADALQIX-SJORKVTESA-N 2 2 342.549 3.058 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001070 457736381 /nfs/dbraw/zinc/73/63/81/457736381.db2.gz DAFJRBWNILEEFO-OXJNMPFZSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000358001070 457736383 /nfs/dbraw/zinc/73/63/83/457736383.db2.gz DAFJRBWNILEEFO-OXJNMPFZSA-N 2 2 343.446 3.100 20 0 EGADLP Clc1ccc(CN2CCC([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000361455298 457737200 /nfs/dbraw/zinc/73/72/00/457737200.db2.gz BUBDYHNYVSTEAM-GOSISDBHSA-N 2 2 344.890 3.106 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc([S@](C)=O)cc1 ZINC000361498018 457754851 /nfs/dbraw/zinc/75/48/51/457754851.db2.gz RISZHGNQJLFTQG-OWJWWREXSA-N 2 2 339.464 3.461 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000426030003 457762590 /nfs/dbraw/zinc/76/25/90/457762590.db2.gz MUMMZOAKDCDIBQ-LOTPSLMQSA-N 2 2 332.488 3.308 20 0 EGADLP Cn1c(NC[C@H](c2c(F)cccc2F)[NH+](C)C)[nH+]c2cccc(F)c21 ZINC000443514872 457774012 /nfs/dbraw/zinc/77/40/12/457774012.db2.gz ZKHVGFUOCASSTC-OAHLLOKOSA-N 2 2 348.372 3.127 20 0 EGADLP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000443632630 457792131 /nfs/dbraw/zinc/79/21/31/457792131.db2.gz TUAMORAYPUGMSD-LBPRGKRZSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181149 457840489 /nfs/dbraw/zinc/84/04/89/457840489.db2.gz TZJLDNOJLXBHQM-RHSMWYFYSA-N 2 2 342.512 3.210 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181149 457840494 /nfs/dbraw/zinc/84/04/94/457840494.db2.gz TZJLDNOJLXBHQM-RHSMWYFYSA-N 2 2 342.512 3.210 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762296 457842720 /nfs/dbraw/zinc/84/27/20/457842720.db2.gz AVRFQKWYWLBHDW-XEZPLFJOSA-N 2 2 347.894 3.362 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1cccc(Cl)c1 ZINC000361762296 457842728 /nfs/dbraw/zinc/84/27/28/457842728.db2.gz AVRFQKWYWLBHDW-XEZPLFJOSA-N 2 2 347.894 3.362 20 0 EGADLP c1nc2n(c1C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCCC2 ZINC000375269456 457857502 /nfs/dbraw/zinc/85/75/02/457857502.db2.gz ZORGOIQDNVNLKM-UHFFFAOYSA-N 2 2 338.499 3.016 20 0 EGADLP c1[nH+]c2n(c1CNC1CC[NH+](CCc3ccccc3)CC1)CCCC2 ZINC000375269456 457857507 /nfs/dbraw/zinc/85/75/07/457857507.db2.gz ZORGOIQDNVNLKM-UHFFFAOYSA-N 2 2 338.499 3.016 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc2c(c1)OCO2 ZINC000358215840 457865424 /nfs/dbraw/zinc/86/54/24/457865424.db2.gz GYJFQRSQCMRNAP-OAHLLOKOSA-N 2 2 339.439 3.126 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)ccc1C ZINC000358221525 457869155 /nfs/dbraw/zinc/86/91/55/457869155.db2.gz MKNDHESJOZJFQH-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2F)[C@@H](C)C1 ZINC000358291291 457914155 /nfs/dbraw/zinc/91/41/55/457914155.db2.gz TWNHMTHIIOMNQI-KXBFYZLASA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2F)[C@@H](C)C1 ZINC000358291291 457914161 /nfs/dbraw/zinc/91/41/61/457914161.db2.gz TWNHMTHIIOMNQI-KXBFYZLASA-N 2 2 338.467 3.061 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000361863105 457915948 /nfs/dbraw/zinc/91/59/48/457915948.db2.gz STGFLGJGNMDYLN-UHFFFAOYSA-N 2 2 339.361 3.070 20 0 EGADLP CCOC(=O)[C@H]1C[N@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000444605140 457917353 /nfs/dbraw/zinc/91/73/53/457917353.db2.gz CECILJFXOBDLFF-IBGZPJMESA-N 2 2 330.472 3.025 20 0 EGADLP CCOC(=O)[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)Cc2ccccc21 ZINC000444605140 457917360 /nfs/dbraw/zinc/91/73/60/457917360.db2.gz CECILJFXOBDLFF-IBGZPJMESA-N 2 2 330.472 3.025 20 0 EGADLP C[C@@H]1CCc2nc(C[NH2+][C@H]3CCO[C@H](c4c[nH+]cn4C)C3)sc2C1 ZINC000433990610 457926054 /nfs/dbraw/zinc/92/60/54/457926054.db2.gz QCFTVSIRFYSLAL-WWGRRREGSA-N 2 2 346.500 3.011 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000411720862 457962885 /nfs/dbraw/zinc/96/28/85/457962885.db2.gz QWXIPTNUABJUTB-LEWJYISDSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000411720862 457962892 /nfs/dbraw/zinc/96/28/92/457962892.db2.gz QWXIPTNUABJUTB-LEWJYISDSA-N 2 2 344.499 3.052 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2COc3ccccc3C2)CC1 ZINC000371676213 458028930 /nfs/dbraw/zinc/02/89/30/458028930.db2.gz NFDZQWCXGSSIMM-AWEZNQCLSA-N 2 2 342.405 3.244 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1F ZINC000427838732 458042018 /nfs/dbraw/zinc/04/20/18/458042018.db2.gz CHQZNURZKOAJJI-ZYHUDNBSSA-N 2 2 338.224 3.450 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)(F)F)c1 ZINC000427850486 458043833 /nfs/dbraw/zinc/04/38/33/458043833.db2.gz PREBPRKJKPMAKX-YPMHNXCESA-N 2 2 325.334 3.447 20 0 EGADLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000427877265 458047115 /nfs/dbraw/zinc/04/71/15/458047115.db2.gz SKFWTYMPPPIKNU-GDBMZVCRSA-N 2 2 329.444 3.346 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100744 /nfs/dbraw/zinc/10/07/44/458100744.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100746 /nfs/dbraw/zinc/10/07/46/458100746.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100748 /nfs/dbraw/zinc/10/07/48/458100748.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428226324 458100750 /nfs/dbraw/zinc/10/07/50/458100750.db2.gz GXCDFSGHWNBELW-PWRODBHTSA-N 3 2 329.532 3.219 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4C)CC3)cc(=O)oc2c1 ZINC000375904008 458116601 /nfs/dbraw/zinc/11/66/01/458116601.db2.gz JAYPSSMICCZVBL-UHFFFAOYSA-N 2 2 326.440 3.162 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4C)CC3)cc(=O)oc2c1 ZINC000375904008 458116607 /nfs/dbraw/zinc/11/66/07/458116607.db2.gz JAYPSSMICCZVBL-UHFFFAOYSA-N 2 2 326.440 3.162 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000435377135 458127241 /nfs/dbraw/zinc/12/72/41/458127241.db2.gz YIPHHXBQTQTFLF-ZDUSSCGKSA-N 2 2 326.868 3.308 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000435377135 458127245 /nfs/dbraw/zinc/12/72/45/458127245.db2.gz YIPHHXBQTQTFLF-ZDUSSCGKSA-N 2 2 326.868 3.308 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1OCc1ccccc1 ZINC000435381679 458131312 /nfs/dbraw/zinc/13/13/12/458131312.db2.gz XJOJCGVCVJIWJY-UHFFFAOYSA-N 2 2 326.440 3.070 20 0 EGADLP COc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1OCc1ccccc1 ZINC000435381679 458131314 /nfs/dbraw/zinc/13/13/14/458131314.db2.gz XJOJCGVCVJIWJY-UHFFFAOYSA-N 2 2 326.440 3.070 20 0 EGADLP CC(C)(C)n1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435388888 458134791 /nfs/dbraw/zinc/13/47/91/458134791.db2.gz HSBXEDGAFYORFI-LJQANCHMSA-N 2 2 341.503 3.177 20 0 EGADLP CC(C)(C)n1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000435388888 458134796 /nfs/dbraw/zinc/13/47/96/458134796.db2.gz HSBXEDGAFYORFI-LJQANCHMSA-N 2 2 341.503 3.177 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420121 458140320 /nfs/dbraw/zinc/14/03/20/458140320.db2.gz BTTMVEORSKXEIB-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420121 458140331 /nfs/dbraw/zinc/14/03/31/458140331.db2.gz BTTMVEORSKXEIB-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435424243 458142815 /nfs/dbraw/zinc/14/28/15/458142815.db2.gz YZOMBYAPBAJGNM-CYBMUJFWSA-N 2 2 337.439 3.341 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1cc(F)cc(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435424243 458142817 /nfs/dbraw/zinc/14/28/17/458142817.db2.gz YZOMBYAPBAJGNM-CYBMUJFWSA-N 2 2 337.439 3.341 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000435723529 458189407 /nfs/dbraw/zinc/18/94/07/458189407.db2.gz PHQPUMLPELMPPX-OAHLLOKOSA-N 2 2 349.475 3.081 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1ccccc1F)C[C@@H]1CC[NH2+]C1 ZINC000435723529 458189416 /nfs/dbraw/zinc/18/94/16/458189416.db2.gz PHQPUMLPELMPPX-OAHLLOKOSA-N 2 2 349.475 3.081 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(F)cc(Cl)c3)[nH+]c2)C1 ZINC000362529591 458249661 /nfs/dbraw/zinc/24/96/61/458249661.db2.gz SLZOKGIYGVKYGD-KRWDZBQOSA-N 2 2 348.853 3.048 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000459045206 458252768 /nfs/dbraw/zinc/25/27/68/458252768.db2.gz ATNRIKPXWBTLRC-DOTOQJQBSA-N 2 2 347.507 3.042 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000459045206 458252771 /nfs/dbraw/zinc/25/27/71/458252771.db2.gz ATNRIKPXWBTLRC-DOTOQJQBSA-N 2 2 347.507 3.042 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022349 458259089 /nfs/dbraw/zinc/25/90/89/458259089.db2.gz RVAKNLFCMXBUGT-FQEVSTJZSA-N 2 2 330.472 3.170 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022349 458259095 /nfs/dbraw/zinc/25/90/95/458259095.db2.gz RVAKNLFCMXBUGT-FQEVSTJZSA-N 2 2 330.472 3.170 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022349 458259103 /nfs/dbraw/zinc/25/91/03/458259103.db2.gz RVAKNLFCMXBUGT-FQEVSTJZSA-N 2 2 330.472 3.170 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022349 458259109 /nfs/dbraw/zinc/25/91/09/458259109.db2.gz RVAKNLFCMXBUGT-FQEVSTJZSA-N 2 2 330.472 3.170 20 0 EGADLP Cc1cc(C)c(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)c[nH+]1 ZINC000459123778 458271531 /nfs/dbraw/zinc/27/15/31/458271531.db2.gz PTWJXUALXQGGKN-UHFFFAOYSA-N 2 2 344.503 3.106 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000369627911 458294634 /nfs/dbraw/zinc/29/46/34/458294634.db2.gz DPSRUCYIELCSLX-IAGOWNOFSA-N 2 2 327.476 3.323 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000369627885 458295105 /nfs/dbraw/zinc/29/51/05/458295105.db2.gz DPSRUCYIELCSLX-DLBZAZTESA-N 2 2 327.476 3.323 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000429255542 458300130 /nfs/dbraw/zinc/30/01/30/458300130.db2.gz NHVKSOHBONOJBU-UHFFFAOYSA-N 2 2 348.878 3.450 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000429255542 458300132 /nfs/dbraw/zinc/30/01/32/458300132.db2.gz NHVKSOHBONOJBU-UHFFFAOYSA-N 2 2 348.878 3.450 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)CCC2 ZINC000447518012 458303368 /nfs/dbraw/zinc/30/33/68/458303368.db2.gz MTDQVNWEMGENRL-HUUCEWRRSA-N 2 2 334.460 3.216 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)CCC2 ZINC000447518012 458303377 /nfs/dbraw/zinc/30/33/77/458303377.db2.gz MTDQVNWEMGENRL-HUUCEWRRSA-N 2 2 334.460 3.216 20 0 EGADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000447597689 458319692 /nfs/dbraw/zinc/31/96/92/458319692.db2.gz GAIYDLFOCRUCHV-HRAATJIYSA-N 2 2 343.515 3.033 20 0 EGADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000447597689 458319693 /nfs/dbraw/zinc/31/96/93/458319693.db2.gz GAIYDLFOCRUCHV-HRAATJIYSA-N 2 2 343.515 3.033 20 0 EGADLP Oc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Br ZINC000459329109 458331405 /nfs/dbraw/zinc/33/14/05/458331405.db2.gz QQDHUTMIBWDLNI-UHFFFAOYSA-N 2 2 336.233 3.188 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)c1 ZINC000447747596 458337406 /nfs/dbraw/zinc/33/74/06/458337406.db2.gz USXQSUXZQCORSP-QGZVFWFLSA-N 2 2 325.456 3.406 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]1SC ZINC000459377033 458350340 /nfs/dbraw/zinc/35/03/40/458350340.db2.gz WTENINLGKYEOLI-WJFTUGDTSA-N 2 2 334.529 3.322 20 0 EGADLP COc1ccc(OCC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000429724760 458364649 /nfs/dbraw/zinc/36/46/49/458364649.db2.gz QVBGMBUZEQDJJJ-UHFFFAOYSA-N 2 2 342.439 3.321 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459457784 458377678 /nfs/dbraw/zinc/37/76/78/458377678.db2.gz PZKXTKVWNQWWQN-FGZHOGPDSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459457784 458377680 /nfs/dbraw/zinc/37/76/80/458377680.db2.gz PZKXTKVWNQWWQN-FGZHOGPDSA-N 2 2 336.479 3.289 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)C1 ZINC000376803725 458393595 /nfs/dbraw/zinc/39/35/95/458393595.db2.gz HDMSOWUOCXYHQU-QRQLOZEOSA-N 2 2 330.472 3.097 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2COC3(CCCC3)O2)C1 ZINC000376803725 458393600 /nfs/dbraw/zinc/39/36/00/458393600.db2.gz HDMSOWUOCXYHQU-QRQLOZEOSA-N 2 2 330.472 3.097 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(F)cn1 ZINC000376834935 458400824 /nfs/dbraw/zinc/40/08/24/458400824.db2.gz QVGXMHIVTGSGRR-CYBMUJFWSA-N 2 2 326.375 3.266 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430154677 458413195 /nfs/dbraw/zinc/41/31/95/458413195.db2.gz XVVWKJQCXDVDBG-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430154677 458413200 /nfs/dbraw/zinc/41/32/00/458413200.db2.gz XVVWKJQCXDVDBG-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430154677 458413206 /nfs/dbraw/zinc/41/32/06/458413206.db2.gz XVVWKJQCXDVDBG-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430154677 458413211 /nfs/dbraw/zinc/41/32/11/458413211.db2.gz XVVWKJQCXDVDBG-IBGZPJMESA-N 2 2 344.890 3.362 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CCC[NH2+]1 ZINC000423443123 458433836 /nfs/dbraw/zinc/43/38/36/458433836.db2.gz WWDACLUVZVKZDH-IUODEOHRSA-N 2 2 332.366 3.004 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ncc(Br)cc1F ZINC000423498576 458443557 /nfs/dbraw/zinc/44/35/57/458443557.db2.gz IFQYDMBRIGICRJ-TVQRCGJNSA-N 2 2 330.245 3.151 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)C1 ZINC000437350005 458446799 /nfs/dbraw/zinc/44/67/99/458446799.db2.gz ZIVOWPCNSPKILD-LMCOJAPRSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)C1 ZINC000437350005 458446803 /nfs/dbraw/zinc/44/68/03/458446803.db2.gz ZIVOWPCNSPKILD-LMCOJAPRSA-N 2 2 344.499 3.218 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423516794 458449015 /nfs/dbraw/zinc/44/90/15/458449015.db2.gz NQLITIHENKPTHB-MOPGFXCFSA-N 2 2 347.865 3.062 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000423527269 458452139 /nfs/dbraw/zinc/45/21/39/458452139.db2.gz MELACUDFXWXTEM-SJCJKPOMSA-N 2 2 347.894 3.397 20 0 EGADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423531541 458452615 /nfs/dbraw/zinc/45/26/15/458452615.db2.gz YAYFKWVRWUXIMK-HOCLYGCPSA-N 2 2 326.868 3.014 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000377077702 458455769 /nfs/dbraw/zinc/45/57/69/458455769.db2.gz LTVRFYNLKNWKNC-LBPRGKRZSA-N 2 2 343.358 3.242 20 0 EGADLP C[N@H+](CC(C)(C)C[NH3+])[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000430551762 458460024 /nfs/dbraw/zinc/46/00/24/458460024.db2.gz IMKGJBQRJADBGP-SFHVURJKSA-N 2 2 325.456 3.283 20 0 EGADLP C[N@@H+](CC(C)(C)C[NH3+])[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000430551762 458460025 /nfs/dbraw/zinc/46/00/25/458460025.db2.gz IMKGJBQRJADBGP-SFHVURJKSA-N 2 2 325.456 3.283 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559565 458460435 /nfs/dbraw/zinc/46/04/35/458460435.db2.gz DMNWPCSSXAXVDJ-JSGCOSHPSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559565 458460443 /nfs/dbraw/zinc/46/04/43/458460443.db2.gz DMNWPCSSXAXVDJ-JSGCOSHPSA-N 2 2 345.409 3.338 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574840 458464032 /nfs/dbraw/zinc/46/40/32/458464032.db2.gz TUPOBPDAJRCZSO-JKQORVJESA-N 2 2 343.471 3.058 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574840 458464035 /nfs/dbraw/zinc/46/40/35/458464035.db2.gz TUPOBPDAJRCZSO-JKQORVJESA-N 2 2 343.471 3.058 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)ccc1F ZINC000430570646 458464087 /nfs/dbraw/zinc/46/40/87/458464087.db2.gz BUHBXPGIWSMQPD-IPYPFGDCSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)n2)ccc1F ZINC000430570646 458464089 /nfs/dbraw/zinc/46/40/89/458464089.db2.gz BUHBXPGIWSMQPD-IPYPFGDCSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583926 458466345 /nfs/dbraw/zinc/46/63/45/458466345.db2.gz YKWGGZLNOZURON-HIFRSBDPSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430583926 458466349 /nfs/dbraw/zinc/46/63/49/458466349.db2.gz YKWGGZLNOZURON-HIFRSBDPSA-N 2 2 325.884 3.281 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000430593385 458467529 /nfs/dbraw/zinc/46/75/29/458467529.db2.gz SJGDOAKNBGFUJX-OXJNMPFZSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000430593385 458467531 /nfs/dbraw/zinc/46/75/31/458467531.db2.gz SJGDOAKNBGFUJX-OXJNMPFZSA-N 2 2 341.499 3.322 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620588 458471765 /nfs/dbraw/zinc/47/17/65/458471765.db2.gz CCMJHUZVXOTINY-CVEARBPZSA-N 2 2 325.456 3.098 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620588 458471770 /nfs/dbraw/zinc/47/17/70/458471770.db2.gz CCMJHUZVXOTINY-CVEARBPZSA-N 2 2 325.456 3.098 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620599 458472114 /nfs/dbraw/zinc/47/21/14/458472114.db2.gz CCMJHUZVXOTINY-JKSUJKDBSA-N 2 2 325.456 3.098 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620599 458472118 /nfs/dbraw/zinc/47/21/18/458472118.db2.gz CCMJHUZVXOTINY-JKSUJKDBSA-N 2 2 325.456 3.098 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430650172 458475481 /nfs/dbraw/zinc/47/54/81/458475481.db2.gz UIRVIAMKOBCJSB-KRWDZBQOSA-N 2 2 335.536 3.151 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430650172 458475485 /nfs/dbraw/zinc/47/54/85/458475485.db2.gz UIRVIAMKOBCJSB-KRWDZBQOSA-N 2 2 335.536 3.151 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377153682 458476671 /nfs/dbraw/zinc/47/66/71/458476671.db2.gz KJEGXWCYKILPEQ-SFHVURJKSA-N 2 2 340.467 3.316 20 0 EGADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377153682 458476676 /nfs/dbraw/zinc/47/66/76/458476676.db2.gz KJEGXWCYKILPEQ-SFHVURJKSA-N 2 2 340.467 3.316 20 0 EGADLP C[NH2+]CCc1ccccc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000423814607 458489020 /nfs/dbraw/zinc/48/90/20/458489020.db2.gz SUFTYROWRCVQLE-UHFFFAOYSA-N 2 2 348.450 3.465 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430920214 458504759 /nfs/dbraw/zinc/50/47/59/458504759.db2.gz UOAIZJMYXLUULP-GUYCJALGSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)cs2)cc1 ZINC000430920214 458504763 /nfs/dbraw/zinc/50/47/63/458504763.db2.gz UOAIZJMYXLUULP-GUYCJALGSA-N 2 2 331.485 3.378 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)CC[C@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423935169 458514890 /nfs/dbraw/zinc/51/48/90/458514890.db2.gz YYEUWQFCCKLUPC-OAHLLOKOSA-N 2 2 340.471 3.082 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])ccc2n1C1CC1 ZINC000423933815 458515787 /nfs/dbraw/zinc/51/57/87/458515787.db2.gz SSGQWULBODWFFN-GOEBONIOSA-N 2 2 340.471 3.067 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000431075702 458524863 /nfs/dbraw/zinc/52/48/63/458524863.db2.gz GHXSESIRBNLRHS-ZDUSSCGKSA-N 2 2 334.851 3.124 20 0 EGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000431075702 458524869 /nfs/dbraw/zinc/52/48/69/458524869.db2.gz GHXSESIRBNLRHS-ZDUSSCGKSA-N 2 2 334.851 3.124 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000468561040 458527172 /nfs/dbraw/zinc/52/71/72/458527172.db2.gz RGBVPPCCQFAXSQ-AZUAARDMSA-N 2 2 330.516 3.429 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000468561040 458527173 /nfs/dbraw/zinc/52/71/73/458527173.db2.gz RGBVPPCCQFAXSQ-AZUAARDMSA-N 2 2 330.516 3.429 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000377827372 458543724 /nfs/dbraw/zinc/54/37/24/458543724.db2.gz VYTHTMWZANRYGD-AWEZNQCLSA-N 2 2 349.862 3.470 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000377827372 458543729 /nfs/dbraw/zinc/54/37/29/458543729.db2.gz VYTHTMWZANRYGD-AWEZNQCLSA-N 2 2 349.862 3.470 20 0 EGADLP [NH3+][C@@H](CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)CC1CCCCC1 ZINC000424152111 458571622 /nfs/dbraw/zinc/57/16/22/458571622.db2.gz IHKYBZHZOJCISH-KRWDZBQOSA-N 2 2 332.492 3.194 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000424337523 458621221 /nfs/dbraw/zinc/62/12/21/458621221.db2.gz SCTIWBICSDKCCK-CHWSQXEVSA-N 2 2 349.784 3.157 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000462884118 458665319 /nfs/dbraw/zinc/66/53/19/458665319.db2.gz ZGFAMLSTLHVZOE-GJZGRUSLSA-N 2 2 341.455 3.036 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000462884118 458665321 /nfs/dbraw/zinc/66/53/21/458665321.db2.gz ZGFAMLSTLHVZOE-GJZGRUSLSA-N 2 2 341.455 3.036 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470962320 458670898 /nfs/dbraw/zinc/67/08/98/458670898.db2.gz VZDWXYLSDKBURL-PXNSSMCTSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470962320 458670905 /nfs/dbraw/zinc/67/09/05/458670905.db2.gz VZDWXYLSDKBURL-PXNSSMCTSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470962320 458670914 /nfs/dbraw/zinc/67/09/14/458670914.db2.gz VZDWXYLSDKBURL-PXNSSMCTSA-N 2 2 347.547 3.045 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470962320 458670921 /nfs/dbraw/zinc/67/09/21/458670921.db2.gz VZDWXYLSDKBURL-PXNSSMCTSA-N 2 2 347.547 3.045 20 0 EGADLP CCCOc1c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cccc1OCC ZINC000494401646 458671702 /nfs/dbraw/zinc/67/17/02/458671702.db2.gz BEVQIAXHVLPUAI-MRXNPFEDSA-N 2 2 329.444 3.175 20 0 EGADLP COc1cc(Cl)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000494417688 458673946 /nfs/dbraw/zinc/67/39/46/458673946.db2.gz YAFTZTOAMLUICV-NSHDSACASA-N 2 2 326.227 3.303 20 0 EGADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066006 458690940 /nfs/dbraw/zinc/69/09/40/458690940.db2.gz XIEOLXAZGZFFGB-KRWDZBQOSA-N 2 2 337.895 3.475 20 0 EGADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066006 458690947 /nfs/dbraw/zinc/69/09/47/458690947.db2.gz XIEOLXAZGZFFGB-KRWDZBQOSA-N 2 2 337.895 3.475 20 0 EGADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066006 458690950 /nfs/dbraw/zinc/69/09/50/458690950.db2.gz XIEOLXAZGZFFGB-KRWDZBQOSA-N 2 2 337.895 3.475 20 0 EGADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccc(Cl)cc1 ZINC000503066006 458690957 /nfs/dbraw/zinc/69/09/57/458690957.db2.gz XIEOLXAZGZFFGB-KRWDZBQOSA-N 2 2 337.895 3.475 20 0 EGADLP CC(C)c1noc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829250 458739522 /nfs/dbraw/zinc/73/95/22/458739522.db2.gz ARPFNKKJEHIWCP-MSOLQXFVSA-N 2 2 342.487 3.365 20 0 EGADLP CC(C)c1noc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471829250 458739525 /nfs/dbraw/zinc/73/95/25/458739525.db2.gz ARPFNKKJEHIWCP-MSOLQXFVSA-N 2 2 342.487 3.365 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000464774046 458770962 /nfs/dbraw/zinc/77/09/62/458770962.db2.gz HQBPZWZCDYEASW-LJQANCHMSA-N 2 2 337.552 3.127 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000464774046 458770966 /nfs/dbraw/zinc/77/09/66/458770966.db2.gz HQBPZWZCDYEASW-LJQANCHMSA-N 2 2 337.552 3.127 20 0 EGADLP CCCOc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495018815 458783228 /nfs/dbraw/zinc/78/32/28/458783228.db2.gz OMZVJLNDEDVKRE-MRXNPFEDSA-N 2 2 329.444 3.457 20 0 EGADLP CCCOc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000495018815 458783238 /nfs/dbraw/zinc/78/32/38/458783238.db2.gz OMZVJLNDEDVKRE-MRXNPFEDSA-N 2 2 329.444 3.457 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461347 458797586 /nfs/dbraw/zinc/79/75/86/458797586.db2.gz HLBJXHDERBFHDX-FQEVSTJZSA-N 2 2 349.563 3.127 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461347 458797590 /nfs/dbraw/zinc/79/75/90/458797590.db2.gz HLBJXHDERBFHDX-FQEVSTJZSA-N 2 2 349.563 3.127 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461347 458797596 /nfs/dbraw/zinc/79/75/96/458797596.db2.gz HLBJXHDERBFHDX-FQEVSTJZSA-N 2 2 349.563 3.127 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000472461347 458797602 /nfs/dbraw/zinc/79/76/02/458797602.db2.gz HLBJXHDERBFHDX-FQEVSTJZSA-N 2 2 349.563 3.127 20 0 EGADLP Cc1ccccc1C([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1C ZINC000518011437 458835367 /nfs/dbraw/zinc/83/53/67/458835367.db2.gz NBAUUEYPMHHMFS-IBGZPJMESA-N 2 2 338.495 3.438 20 0 EGADLP Cc1ccccc1C([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1C ZINC000518011437 458835371 /nfs/dbraw/zinc/83/53/71/458835371.db2.gz NBAUUEYPMHHMFS-IBGZPJMESA-N 2 2 338.495 3.438 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1c1ccccc1 ZINC000495603975 458894493 /nfs/dbraw/zinc/89/44/93/458894493.db2.gz QRWKXUKKGMJBCB-FUHWJXTLSA-N 2 2 345.487 3.031 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CN(C(=O)OC(C)(C)C)C2)C[C@@H]1c1ccccc1 ZINC000495603975 458894496 /nfs/dbraw/zinc/89/44/96/458894496.db2.gz QRWKXUKKGMJBCB-FUHWJXTLSA-N 2 2 345.487 3.031 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000566444001 458934687 /nfs/dbraw/zinc/93/46/87/458934687.db2.gz HWVUMXAHYJCRHU-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000566444001 458934693 /nfs/dbraw/zinc/93/46/93/458934693.db2.gz HWVUMXAHYJCRHU-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC=CCC2)cc1Cl ZINC000475495125 458947475 /nfs/dbraw/zinc/94/74/75/458947475.db2.gz RNGWJWXHPFMHPH-OAHLLOKOSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC=CCC2)cc1Cl ZINC000475495125 458947482 /nfs/dbraw/zinc/94/74/82/458947482.db2.gz RNGWJWXHPFMHPH-OAHLLOKOSA-N 2 2 335.879 3.217 20 0 EGADLP CC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)C1CCOCC1 ZINC000531691125 458961699 /nfs/dbraw/zinc/96/16/99/458961699.db2.gz YTNNQHYHAFWDRT-IBGZPJMESA-N 2 2 327.472 3.269 20 0 EGADLP C[C@H](C[NH2+]C[C@H](O)[C@H](C)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000566615398 458970220 /nfs/dbraw/zinc/97/02/20/458970220.db2.gz JCBZPIZDDBYFMX-OPYAIIAOSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](C[NH2+]C[C@H](O)[C@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000566615398 458970224 /nfs/dbraw/zinc/97/02/24/458970224.db2.gz JCBZPIZDDBYFMX-OPYAIIAOSA-N 2 2 326.484 3.261 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C2CC2)CC1 ZINC000556885586 459026747 /nfs/dbraw/zinc/02/67/47/459026747.db2.gz XRTAUGYETZDMIX-FQEVSTJZSA-N 2 2 344.499 3.187 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442773754 459034056 /nfs/dbraw/zinc/03/40/56/459034056.db2.gz YKJMMMYBBNFWMG-FUNVUKJBSA-N 2 2 342.270 3.147 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442773754 459034060 /nfs/dbraw/zinc/03/40/60/459034060.db2.gz YKJMMMYBBNFWMG-FUNVUKJBSA-N 2 2 342.270 3.147 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1C ZINC000567063029 459042719 /nfs/dbraw/zinc/04/27/19/459042719.db2.gz MICZOPZZHOFYHA-MRXNPFEDSA-N 3 2 326.488 3.393 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1C ZINC000567063029 459042727 /nfs/dbraw/zinc/04/27/27/459042727.db2.gz MICZOPZZHOFYHA-MRXNPFEDSA-N 3 2 326.488 3.393 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833792 459044980 /nfs/dbraw/zinc/04/49/80/459044980.db2.gz IKVSHDBNFXFHRE-NVXWUHKLSA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442833792 459044984 /nfs/dbraw/zinc/04/49/84/459044984.db2.gz IKVSHDBNFXFHRE-NVXWUHKLSA-N 2 2 344.421 3.245 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000532202058 459045818 /nfs/dbraw/zinc/04/58/18/459045818.db2.gz FMWDDXHZTOHBJR-ZWKOTPCHSA-N 2 2 325.541 3.124 20 0 EGADLP C[N@@H+](C[C@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C1CC1 ZINC000567105188 459048697 /nfs/dbraw/zinc/04/86/97/459048697.db2.gz ZRGWMOGNROCUSQ-QGZVFWFLSA-N 2 2 336.439 3.097 20 0 EGADLP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000520623511 459079884 /nfs/dbraw/zinc/07/98/84/459079884.db2.gz QWZAMXZMAPPCQL-YLJYHZDGSA-N 2 2 340.467 3.333 20 0 EGADLP CC[C@H](C[NH2+]Cc1cccc2c1OCO2)[N@@H+]1CCc2ccccc2C1 ZINC000520952538 459105965 /nfs/dbraw/zinc/10/59/65/459105965.db2.gz ZLZCYVPOWGQSMK-LJQANCHMSA-N 2 2 338.451 3.342 20 0 EGADLP CC[C@H](C[NH2+]Cc1cccc2c1OCO2)[N@H+]1CCc2ccccc2C1 ZINC000520952538 459105970 /nfs/dbraw/zinc/10/59/70/459105970.db2.gz ZLZCYVPOWGQSMK-LJQANCHMSA-N 2 2 338.451 3.342 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000496327085 459152648 /nfs/dbraw/zinc/15/26/48/459152648.db2.gz NMQIYUDXNKLUIR-MRXNPFEDSA-N 2 2 348.491 3.167 20 0 EGADLP c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000567722319 459154584 /nfs/dbraw/zinc/15/45/84/459154584.db2.gz VOTPPEWIVCIRIN-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP c1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000567722319 459154590 /nfs/dbraw/zinc/15/45/90/459154590.db2.gz VOTPPEWIVCIRIN-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849197 459170318 /nfs/dbraw/zinc/17/03/18/459170318.db2.gz HRVJLMRXLGDZHG-FGTMMUONSA-N 2 2 335.561 3.451 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000479849197 459170326 /nfs/dbraw/zinc/17/03/26/459170326.db2.gz HRVJLMRXLGDZHG-FGTMMUONSA-N 2 2 335.561 3.451 20 0 EGADLP CC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)[NH+](CC)CC)[C@@H]1CCOC1 ZINC000480393298 459195575 /nfs/dbraw/zinc/19/55/75/459195575.db2.gz YSXZVOYSDHOMKV-YZGWKJHDSA-N 2 2 334.504 3.483 20 0 EGADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)s1 ZINC000533188508 459199085 /nfs/dbraw/zinc/19/90/85/459199085.db2.gz VNWFIHXJDGYZLH-UHFFFAOYSA-N 2 2 344.528 3.324 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc2c(c1)OCO2 ZINC000480768500 459218704 /nfs/dbraw/zinc/21/87/04/459218704.db2.gz KEFNREXUVJJJKS-HNNXBMFYSA-N 2 2 348.512 3.428 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310482 459218696 /nfs/dbraw/zinc/21/86/96/459218696.db2.gz QNGDDGRBADGWAU-PBEJRMEISA-N 2 2 343.515 3.059 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310482 459218701 /nfs/dbraw/zinc/21/87/01/459218701.db2.gz QNGDDGRBADGWAU-PBEJRMEISA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310482 459218705 /nfs/dbraw/zinc/21/87/05/459218705.db2.gz QNGDDGRBADGWAU-PBEJRMEISA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1C ZINC000533310482 459218709 /nfs/dbraw/zinc/21/87/09/459218709.db2.gz QNGDDGRBADGWAU-PBEJRMEISA-N 2 2 343.515 3.059 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000533388892 459228746 /nfs/dbraw/zinc/22/87/46/459228746.db2.gz OZJIYQLSSNWGJH-FAKMSMKASA-N 2 2 327.472 3.375 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000533388892 459228750 /nfs/dbraw/zinc/22/87/50/459228750.db2.gz OZJIYQLSSNWGJH-FAKMSMKASA-N 2 2 327.472 3.375 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595074282 459236820 /nfs/dbraw/zinc/23/68/20/459236820.db2.gz WTGBFFJFUGMZNZ-DNNXHKROSA-N 2 2 348.556 3.176 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595074282 459236828 /nfs/dbraw/zinc/23/68/28/459236828.db2.gz WTGBFFJFUGMZNZ-DNNXHKROSA-N 2 2 348.556 3.176 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447105 459238011 /nfs/dbraw/zinc/23/80/11/459238011.db2.gz ATWOGWIMQMZKFK-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447105 459238015 /nfs/dbraw/zinc/23/80/15/459238015.db2.gz ATWOGWIMQMZKFK-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447105 459238018 /nfs/dbraw/zinc/23/80/18/459238018.db2.gz ATWOGWIMQMZKFK-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C ZINC000533447105 459238021 /nfs/dbraw/zinc/23/80/21/459238021.db2.gz ATWOGWIMQMZKFK-GDBMZVCRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168416 459238219 /nfs/dbraw/zinc/23/82/19/459238219.db2.gz HMYZBXPGQSIOII-LJQANCHMSA-N 2 2 344.524 3.030 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168416 459238225 /nfs/dbraw/zinc/23/82/25/459238225.db2.gz HMYZBXPGQSIOII-LJQANCHMSA-N 2 2 344.524 3.030 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168416 459238227 /nfs/dbraw/zinc/23/82/27/459238227.db2.gz HMYZBXPGQSIOII-LJQANCHMSA-N 2 2 344.524 3.030 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000568168416 459238232 /nfs/dbraw/zinc/23/82/32/459238232.db2.gz HMYZBXPGQSIOII-LJQANCHMSA-N 2 2 344.524 3.030 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1Oc1cc[nH+]cc1 ZINC000522365925 459240595 /nfs/dbraw/zinc/24/05/95/459240595.db2.gz KZJNRUHSZJCXMQ-MRXNPFEDSA-N 2 2 337.423 3.149 20 0 EGADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1Oc1cc[nH+]cc1 ZINC000522365925 459240599 /nfs/dbraw/zinc/24/05/99/459240599.db2.gz KZJNRUHSZJCXMQ-MRXNPFEDSA-N 2 2 337.423 3.149 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000496593097 459252420 /nfs/dbraw/zinc/25/24/20/459252420.db2.gz VCZUJNZUHCESKF-LSDHHAIUSA-N 2 2 344.459 3.117 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC000559349488 459254168 /nfs/dbraw/zinc/25/41/68/459254168.db2.gz UAHQUONAAJNYGX-KRWDZBQOSA-N 2 2 342.487 3.068 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000482249377 459298853 /nfs/dbraw/zinc/29/88/53/459298853.db2.gz YXZOEQWWPMRVOC-WMZOPIPTSA-N 2 2 338.467 3.028 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000482249377 459298857 /nfs/dbraw/zinc/29/88/57/459298857.db2.gz YXZOEQWWPMRVOC-WMZOPIPTSA-N 2 2 338.467 3.028 20 0 EGADLP COc1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)O[C@H](C)C2 ZINC000534333590 459315786 /nfs/dbraw/zinc/31/57/86/459315786.db2.gz IUHAZZNPSSFPDS-MRXNPFEDSA-N 2 2 344.499 3.469 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000595505403 459327272 /nfs/dbraw/zinc/32/72/72/459327272.db2.gz SUQNKLWUFDGYGC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000595505403 459327278 /nfs/dbraw/zinc/32/72/78/459327278.db2.gz SUQNKLWUFDGYGC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000595505403 459327283 /nfs/dbraw/zinc/32/72/83/459327283.db2.gz SUQNKLWUFDGYGC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000595505403 459327289 /nfs/dbraw/zinc/32/72/89/459327289.db2.gz SUQNKLWUFDGYGC-GOSISDBHSA-N 2 2 336.863 3.044 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496840077 459342293 /nfs/dbraw/zinc/34/22/93/459342293.db2.gz OOHKADYDAJDRSP-GOEBONIOSA-N 2 2 348.491 3.097 20 0 EGADLP CCOC(=O)N1CCC([C@@H](C)[NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000496926041 459373625 /nfs/dbraw/zinc/37/36/25/459373625.db2.gz PBHXISDXNGBUPT-MRXNPFEDSA-N 2 2 333.476 3.169 20 0 EGADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[C@H]1CCOC1 ZINC000484175494 459408593 /nfs/dbraw/zinc/40/85/93/459408593.db2.gz KGZXTVHWTUTRGC-HOJAQTOUSA-N 2 2 346.515 3.291 20 0 EGADLP [NH3+]CCC1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000582732781 459418066 /nfs/dbraw/zinc/41/80/66/459418066.db2.gz MCCLBOKTAYPIKP-UHFFFAOYSA-N 2 2 325.412 3.075 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866921 459458693 /nfs/dbraw/zinc/45/86/93/459458693.db2.gz JPSCAKUZMZSQBC-RTBURBONSA-N 2 2 340.471 3.130 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866921 459458697 /nfs/dbraw/zinc/45/86/97/459458697.db2.gz JPSCAKUZMZSQBC-RTBURBONSA-N 2 2 340.471 3.130 20 0 EGADLP Cc1noc(C)c1C[NH+]1CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC000583021462 459469182 /nfs/dbraw/zinc/46/91/82/459469182.db2.gz IBNWMAGRRNYHHZ-UHFFFAOYSA-N 2 2 336.439 3.470 20 0 EGADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]3[NH2+]CCc4ccccc43)n2)cc1 ZINC000583318537 459520058 /nfs/dbraw/zinc/52/00/58/459520058.db2.gz MOXBVPOLBUJFEM-GOSISDBHSA-N 2 2 334.423 3.033 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000542489741 459562183 /nfs/dbraw/zinc/56/21/83/459562183.db2.gz XGBFHEXOJGOYCL-COPCDDAFSA-N 2 2 338.495 3.233 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000542489741 459562189 /nfs/dbraw/zinc/56/21/89/459562189.db2.gz XGBFHEXOJGOYCL-COPCDDAFSA-N 2 2 338.495 3.233 20 0 EGADLP CC[N@H+](CCC(C)(C)C(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000526970391 459568159 /nfs/dbraw/zinc/56/81/59/459568159.db2.gz HDYVBFRWLIVRLZ-UHFFFAOYSA-N 2 2 347.503 3.209 20 0 EGADLP CC[N@@H+](CCC(C)(C)C(=O)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000526970391 459568160 /nfs/dbraw/zinc/56/81/60/459568160.db2.gz HDYVBFRWLIVRLZ-UHFFFAOYSA-N 2 2 347.503 3.209 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355361 459664051 /nfs/dbraw/zinc/66/40/51/459664051.db2.gz WCRVLPBFWGYZOP-IAECCPNBSA-N 3 2 339.458 3.253 20 0 EGADLP c1cn(-c2cccc(C[NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)c2)c[nH+]1 ZINC000562929063 459671668 /nfs/dbraw/zinc/67/16/68/459671668.db2.gz SZCHAVMVFWCQPR-GOSISDBHSA-N 2 2 336.443 3.402 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598704 459674529 /nfs/dbraw/zinc/67/45/29/459674529.db2.gz FSDLSILVMJRQKO-WDSOQIARSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000543598704 459674535 /nfs/dbraw/zinc/67/45/35/459674535.db2.gz FSDLSILVMJRQKO-WDSOQIARSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418346 459733942 /nfs/dbraw/zinc/73/39/42/459733942.db2.gz QQTYIGFUJYPFAU-SJORKVTESA-N 2 2 329.488 3.164 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000584418346 459733948 /nfs/dbraw/zinc/73/39/48/459733948.db2.gz QQTYIGFUJYPFAU-SJORKVTESA-N 2 2 329.488 3.164 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000544566806 459769084 /nfs/dbraw/zinc/76/90/84/459769084.db2.gz LJPOQTJCNGZVIQ-NZSAHSFTSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000544566806 459769089 /nfs/dbraw/zinc/76/90/89/459769089.db2.gz LJPOQTJCNGZVIQ-NZSAHSFTSA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)c1ccn(C)n1 ZINC000544580525 459769823 /nfs/dbraw/zinc/76/98/23/459769823.db2.gz XRBJOHHWOMDLEI-LJQANCHMSA-N 2 2 326.488 3.434 20 0 EGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)n1 ZINC000527948852 459779360 /nfs/dbraw/zinc/77/93/60/459779360.db2.gz MKSRHYINTSXJMR-HTWSVDAQSA-N 2 2 332.492 3.401 20 0 EGADLP Cc1noc(C2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)CC2)n1 ZINC000527948852 459779364 /nfs/dbraw/zinc/77/93/64/459779364.db2.gz MKSRHYINTSXJMR-HTWSVDAQSA-N 2 2 332.492 3.401 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[NH2+]Cc2ccccc21)c1cccc(Cl)c1 ZINC000574640068 459847153 /nfs/dbraw/zinc/84/71/53/459847153.db2.gz GKDBUORFYIZHTA-SFHVURJKSA-N 2 2 343.858 3.079 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866532 459863099 /nfs/dbraw/zinc/86/30/99/459863099.db2.gz APMSVXUETFCOFQ-OALUTQOASA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)C1 ZINC000545866532 459863105 /nfs/dbraw/zinc/86/31/05/459863105.db2.gz APMSVXUETFCOFQ-OALUTQOASA-N 2 2 348.849 3.225 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)n1C ZINC000575430958 459974822 /nfs/dbraw/zinc/97/48/22/459974822.db2.gz PRAQQALGUGOTAH-UHFFFAOYSA-N 2 2 333.863 3.220 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000621765258 460057341 /nfs/dbraw/zinc/05/73/41/460057341.db2.gz VJOXGXKHMMDWJB-NSHGMRRFSA-N 2 2 327.472 3.091 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000621765258 460057344 /nfs/dbraw/zinc/05/73/44/460057344.db2.gz VJOXGXKHMMDWJB-NSHGMRRFSA-N 2 2 327.472 3.091 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784078 460060904 /nfs/dbraw/zinc/06/09/04/460060904.db2.gz JMYPRQKROGLPCR-BEFAXECRSA-N 2 2 342.874 3.419 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000621784078 460060908 /nfs/dbraw/zinc/06/09/08/460060908.db2.gz JMYPRQKROGLPCR-BEFAXECRSA-N 2 2 342.874 3.419 20 0 EGADLP CCCC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000621805407 460072052 /nfs/dbraw/zinc/07/20/52/460072052.db2.gz XWKRTWNHNXUOEY-LJQANCHMSA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517218 460314700 /nfs/dbraw/zinc/31/47/00/460314700.db2.gz JDIGWPQYBYKGSB-LJQANCHMSA-N 2 2 332.488 3.207 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000628476183 460431806 /nfs/dbraw/zinc/43/18/06/460431806.db2.gz KJQBNZRQYQJHLM-UXHICEINSA-N 2 2 328.500 3.367 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631578358 460454387 /nfs/dbraw/zinc/45/43/87/460454387.db2.gz RLNYXKOHJPPKMO-LGKHCZOZSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631578358 460454392 /nfs/dbraw/zinc/45/43/92/460454392.db2.gz RLNYXKOHJPPKMO-LGKHCZOZSA-N 2 2 326.484 3.369 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)ncc1Br ZINC000623364158 460511580 /nfs/dbraw/zinc/51/15/80/460511580.db2.gz WBWKLWUYKQLNAD-ZDUSSCGKSA-N 2 2 340.309 3.364 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000631726798 460534437 /nfs/dbraw/zinc/53/44/37/460534437.db2.gz VGPFDJUEHLIOJA-YOEHRIQHSA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2F)[C@@H](C)C1 ZINC000631726798 460534441 /nfs/dbraw/zinc/53/44/41/460534441.db2.gz VGPFDJUEHLIOJA-YOEHRIQHSA-N 2 2 326.431 3.191 20 0 EGADLP c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000623852891 460742922 /nfs/dbraw/zinc/74/29/22/460742922.db2.gz FCKJLQOFOUQWNM-KRWDZBQOSA-N 2 2 343.496 3.143 20 0 EGADLP c1nc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000623867330 460752221 /nfs/dbraw/zinc/75/22/21/460752221.db2.gz YJBZJACBQKJDDX-MRXNPFEDSA-N 2 2 328.485 3.170 20 0 EGADLP CCSc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000629513841 460790148 /nfs/dbraw/zinc/79/01/48/460790148.db2.gz XBNDSDOYQTZIJU-NSHDSACASA-N 2 2 329.307 3.342 20 0 EGADLP CCSc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000629513841 460790152 /nfs/dbraw/zinc/79/01/52/460790152.db2.gz XBNDSDOYQTZIJU-NSHDSACASA-N 2 2 329.307 3.342 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629564360 460811365 /nfs/dbraw/zinc/81/13/65/460811365.db2.gz SYCZAPHENRGHQF-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000629564360 460811367 /nfs/dbraw/zinc/81/13/67/460811367.db2.gz SYCZAPHENRGHQF-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1C(F)(F)F ZINC000629657279 460850897 /nfs/dbraw/zinc/85/08/97/460850897.db2.gz VRXVIRMKWKKNLB-CMPLNLGQSA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@H]1C(F)(F)F ZINC000629657279 460850901 /nfs/dbraw/zinc/85/09/01/460850901.db2.gz VRXVIRMKWKKNLB-CMPLNLGQSA-N 2 2 344.406 3.097 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624226112 460919172 /nfs/dbraw/zinc/91/91/72/460919172.db2.gz KSDSQGQPVFEUPH-SJLPKXTDSA-N 2 2 326.440 3.196 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000624226112 460919181 /nfs/dbraw/zinc/91/91/81/460919181.db2.gz KSDSQGQPVFEUPH-SJLPKXTDSA-N 2 2 326.440 3.196 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)cc2[nH+]1 ZINC000635810786 460934897 /nfs/dbraw/zinc/93/48/97/460934897.db2.gz JTKBLBUHQYIYPY-HNAYVOBHSA-N 2 2 336.439 3.064 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000635880975 460959839 /nfs/dbraw/zinc/95/98/39/460959839.db2.gz JJSVQYLBHIJGBE-UHFFFAOYSA-N 2 2 334.851 3.360 20 0 EGADLP CCOc1cncc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000621340437 460997259 /nfs/dbraw/zinc/99/72/59/460997259.db2.gz FBSBARFRZKITRV-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ncc1Br ZINC000628128459 461010619 /nfs/dbraw/zinc/01/06/19/461010619.db2.gz GMPLGFQTCSXKLA-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ncc1Br ZINC000628128459 461010625 /nfs/dbraw/zinc/01/06/25/461010625.db2.gz GMPLGFQTCSXKLA-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628162161 461026128 /nfs/dbraw/zinc/02/61/28/461026128.db2.gz GJGVUZXUKMUHKF-CQSZACIVSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ncc1Br ZINC000628162161 461026134 /nfs/dbraw/zinc/02/61/34/461026134.db2.gz GJGVUZXUKMUHKF-CQSZACIVSA-N 2 2 335.249 3.186 20 0 EGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000608374893 461048072 /nfs/dbraw/zinc/04/80/72/461048072.db2.gz XRAADXXOHRYEMP-CQSZACIVSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000608374893 461048076 /nfs/dbraw/zinc/04/80/76/461048076.db2.gz XRAADXXOHRYEMP-CQSZACIVSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000655166976 461112614 /nfs/dbraw/zinc/11/26/14/461112614.db2.gz DTDMXEMKIAUXHK-NRFANRHFSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000655166976 461112623 /nfs/dbraw/zinc/11/26/23/461112623.db2.gz DTDMXEMKIAUXHK-NRFANRHFSA-N 2 2 348.450 3.037 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652353574 461146126 /nfs/dbraw/zinc/14/61/26/461146126.db2.gz RAQPUTLSTHHEJX-NHYWBVRUSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)[C@H]1CC[NH3+] ZINC000652353574 461146133 /nfs/dbraw/zinc/14/61/33/461146133.db2.gz RAQPUTLSTHHEJX-NHYWBVRUSA-N 2 2 344.286 3.381 20 0 EGADLP CC[C@H](C)[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983381 461171511 /nfs/dbraw/zinc/17/15/11/461171511.db2.gz NXXHBCCYTYDFAL-FXAWDEMLSA-N 2 2 333.520 3.081 20 0 EGADLP CC[C@H](C)[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983381 461171519 /nfs/dbraw/zinc/17/15/19/461171519.db2.gz NXXHBCCYTYDFAL-FXAWDEMLSA-N 2 2 333.520 3.081 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630537091 461175323 /nfs/dbraw/zinc/17/53/23/461175323.db2.gz JFEKYGIUSQGLRM-OAHLLOKOSA-N 2 2 326.444 3.071 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630537091 461175334 /nfs/dbraw/zinc/17/53/34/461175334.db2.gz JFEKYGIUSQGLRM-OAHLLOKOSA-N 2 2 326.444 3.071 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000668229056 461194354 /nfs/dbraw/zinc/19/43/54/461194354.db2.gz XNWPTRURGCLDLZ-UHFFFAOYSA-N 2 2 344.425 3.146 20 0 EGADLP Cc1nnsc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000649596164 461205013 /nfs/dbraw/zinc/20/50/13/461205013.db2.gz LMOCWQBKRNWPEZ-UHFFFAOYSA-N 2 2 327.457 3.342 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000638110890 461246232 /nfs/dbraw/zinc/24/62/32/461246232.db2.gz AKEJTYRTODMTJT-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000638110890 461246239 /nfs/dbraw/zinc/24/62/39/461246239.db2.gz AKEJTYRTODMTJT-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP C[C@@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000638137768 461266497 /nfs/dbraw/zinc/26/64/97/461266497.db2.gz NJCABWBLWOROOC-PSWRPDDJSA-N 2 2 341.543 3.138 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000638137768 461266504 /nfs/dbraw/zinc/26/65/04/461266504.db2.gz NJCABWBLWOROOC-PSWRPDDJSA-N 2 2 341.543 3.138 20 0 EGADLP CC(C)O[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702718 461288636 /nfs/dbraw/zinc/28/86/36/461288636.db2.gz LQFHQHQBSFYQOP-LEWJYISDSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000649702718 461288642 /nfs/dbraw/zinc/28/86/42/461288642.db2.gz LQFHQHQBSFYQOP-LEWJYISDSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702718 461288653 /nfs/dbraw/zinc/28/86/53/461288653.db2.gz LQFHQHQBSFYQOP-LEWJYISDSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)O[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000649702718 461288656 /nfs/dbraw/zinc/28/86/56/461288656.db2.gz LQFHQHQBSFYQOP-LEWJYISDSA-N 2 2 346.515 3.167 20 0 EGADLP CSc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000641714727 461334494 /nfs/dbraw/zinc/33/44/94/461334494.db2.gz BWUXZYABYBFPIJ-SFHVURJKSA-N 2 2 345.512 3.080 20 0 EGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655690555 461363828 /nfs/dbraw/zinc/36/38/28/461363828.db2.gz DERYSBDXEMAKHH-APWZRJJASA-N 2 2 332.488 3.378 20 0 EGADLP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703617 461374180 /nfs/dbraw/zinc/37/41/80/461374180.db2.gz JBUATQAUKVALEB-OAHLLOKOSA-N 2 2 328.378 3.048 20 0 EGADLP Clc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1Cl ZINC000655703261 461374668 /nfs/dbraw/zinc/37/46/68/461374668.db2.gz COHALMSADHHKFY-AWEZNQCLSA-N 2 2 329.271 3.336 20 0 EGADLP Clc1cccc(C2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655729293 461396752 /nfs/dbraw/zinc/39/67/52/461396752.db2.gz IXWDIZDIMXJDII-PPSBMQLTSA-N 2 2 334.891 3.429 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655744039 461410369 /nfs/dbraw/zinc/41/03/69/461410369.db2.gz NSKJPOFDHUVJAK-BBRMVZONSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655744039 461410379 /nfs/dbraw/zinc/41/03/79/461410379.db2.gz NSKJPOFDHUVJAK-BBRMVZONSA-N 2 2 332.879 3.406 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000668741588 461410483 /nfs/dbraw/zinc/41/04/83/461410483.db2.gz VFIWOBLVMOCFFA-MRXNPFEDSA-N 2 2 344.430 3.117 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4F)o3)CC2)C1 ZINC000668741588 461410493 /nfs/dbraw/zinc/41/04/93/461410493.db2.gz VFIWOBLVMOCFFA-MRXNPFEDSA-N 2 2 344.430 3.117 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426537 461423135 /nfs/dbraw/zinc/42/31/35/461423135.db2.gz UQHYIEKJPOKILV-KVSKMBFKSA-N 2 2 343.515 3.247 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426537 461423142 /nfs/dbraw/zinc/42/31/42/461423142.db2.gz UQHYIEKJPOKILV-KVSKMBFKSA-N 2 2 343.515 3.247 20 0 EGADLP COc1c2ccccc2oc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655760299 461426420 /nfs/dbraw/zinc/42/64/20/461426420.db2.gz NHWZPROWLUPCMC-INIZCTEOSA-N 2 2 344.455 3.174 20 0 EGADLP C[C@@]1(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]C1 ZINC000663009598 461427249 /nfs/dbraw/zinc/42/72/49/461427249.db2.gz FYGJOQAICLWDAD-QGZVFWFLSA-N 2 2 331.803 3.009 20 0 EGADLP Fc1cc(-c2ccco2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655764811 461430928 /nfs/dbraw/zinc/43/09/28/461430928.db2.gz SADXQMAEISTRDJ-GOSISDBHSA-N 2 2 344.430 3.429 20 0 EGADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1nc2ccccc2o1 ZINC000638446491 461431870 /nfs/dbraw/zinc/43/18/70/461431870.db2.gz YHAMJXFLYVFPSO-UHFFFAOYSA-N 2 2 325.412 3.058 20 0 EGADLP C[C@H](CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000666063666 461434732 /nfs/dbraw/zinc/43/47/32/461434732.db2.gz VCWLIAZLFXDBBU-CQSZACIVSA-N 2 2 328.416 3.336 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655849707 461495586 /nfs/dbraw/zinc/49/55/86/461495586.db2.gz YFESLIQABJFAEN-JKSUJKDBSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CC[NH+]1CCC(N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849707 461495598 /nfs/dbraw/zinc/49/55/98/461495598.db2.gz YFESLIQABJFAEN-JKSUJKDBSA-N 2 2 333.442 3.010 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848231 461496098 /nfs/dbraw/zinc/49/60/98/461496098.db2.gz HQIIHEIMNMRXFF-FHLIZLRMSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848231 461496104 /nfs/dbraw/zinc/49/61/04/461496104.db2.gz HQIIHEIMNMRXFF-FHLIZLRMSA-N 2 2 333.451 3.149 20 0 EGADLP CO[C@H](C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)[C@H]1CCOC1 ZINC000638642202 461515393 /nfs/dbraw/zinc/51/53/93/461515393.db2.gz VSEDVIQGSPRUGT-YZGWKJHDSA-N 2 2 346.515 3.291 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1Cl ZINC000638667653 461523189 /nfs/dbraw/zinc/52/31/89/461523189.db2.gz YOAQZJMBFAIGPS-GFCCVEGCSA-N 2 2 328.859 3.365 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000659980082 461525964 /nfs/dbraw/zinc/52/59/64/461525964.db2.gz QGFNVACTKFYFHS-FQEVSTJZSA-N 2 2 341.455 3.171 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)on1 ZINC000659980082 461525978 /nfs/dbraw/zinc/52/59/78/461525978.db2.gz QGFNVACTKFYFHS-FQEVSTJZSA-N 2 2 341.455 3.171 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)on1 ZINC000659980082 461525979 /nfs/dbraw/zinc/52/59/79/461525979.db2.gz QGFNVACTKFYFHS-FQEVSTJZSA-N 2 2 341.455 3.171 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)on1 ZINC000659980082 461525982 /nfs/dbraw/zinc/52/59/82/461525982.db2.gz QGFNVACTKFYFHS-FQEVSTJZSA-N 2 2 341.455 3.171 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638721991 461549242 /nfs/dbraw/zinc/54/92/42/461549242.db2.gz YZLPEWHJOPAEHA-AHRSYUTCSA-N 2 2 338.499 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638721991 461549246 /nfs/dbraw/zinc/54/92/46/461549246.db2.gz YZLPEWHJOPAEHA-AHRSYUTCSA-N 2 2 338.499 3.371 20 0 EGADLP Cc1nc(NC[C@@H](c2ccco2)[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000663327669 461561357 /nfs/dbraw/zinc/56/13/57/461561357.db2.gz OAAZAKZBCDIEDR-NSHDSACASA-N 2 2 339.237 3.164 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000663361610 461589743 /nfs/dbraw/zinc/58/97/43/461589743.db2.gz PZLSICWKLLQKQR-UTKZUKDTSA-N 2 2 339.483 3.321 20 0 EGADLP COc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1Cl ZINC000660118773 461591646 /nfs/dbraw/zinc/59/16/46/461591646.db2.gz WKHWSBSVMMGREF-YQQAZPJKSA-N 2 2 338.879 3.032 20 0 EGADLP COc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1Cl ZINC000660118773 461591652 /nfs/dbraw/zinc/59/16/52/461591652.db2.gz WKHWSBSVMMGREF-YQQAZPJKSA-N 2 2 338.879 3.032 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCS[C@H]3C)c[nH+]c12 ZINC000647258387 461594965 /nfs/dbraw/zinc/59/49/65/461594965.db2.gz BSLWJBWIRAGUKY-GWCFXTLKSA-N 2 2 340.290 3.389 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643067093 461600941 /nfs/dbraw/zinc/60/09/41/461600941.db2.gz XWQZJJPEELAMAY-XJKSGUPXSA-N 2 2 328.378 3.158 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643067093 461600949 /nfs/dbraw/zinc/60/09/49/461600949.db2.gz XWQZJJPEELAMAY-XJKSGUPXSA-N 2 2 328.378 3.158 20 0 EGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826813 461603273 /nfs/dbraw/zinc/60/32/73/461603273.db2.gz VFKYAEZSJKTSGI-ZTFGCOKTSA-N 2 2 340.870 3.487 20 0 EGADLP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000638826813 461603282 /nfs/dbraw/zinc/60/32/82/461603282.db2.gz VFKYAEZSJKTSGI-ZTFGCOKTSA-N 2 2 340.870 3.487 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202720 461635898 /nfs/dbraw/zinc/63/58/98/461635898.db2.gz UWOCWRQCFLGFCG-RHSMWYFYSA-N 2 2 328.447 3.343 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000660202720 461635905 /nfs/dbraw/zinc/63/59/05/461635905.db2.gz UWOCWRQCFLGFCG-RHSMWYFYSA-N 2 2 328.447 3.343 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000656198506 461643662 /nfs/dbraw/zinc/64/36/62/461643662.db2.gz AOSOUTAEVYHQHY-QAETUUGQSA-N 2 2 347.507 3.089 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1c(Cl)cccc1Cl ZINC000656201760 461645358 /nfs/dbraw/zinc/64/53/58/461645358.db2.gz YJLCBFKZWDWCOT-STQMWFEESA-N 2 2 331.287 3.283 20 0 EGADLP Fc1ccc([C@@H](NC[C@H]2CCC[N@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466215 461655816 /nfs/dbraw/zinc/65/58/16/461655816.db2.gz PNGUNNPHMGHDQR-VQIMIIECSA-N 2 2 342.462 3.350 20 0 EGADLP Fc1ccc([C@@H](NC[C@H]2CCC[N@@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466215 461655823 /nfs/dbraw/zinc/65/58/23/461655823.db2.gz PNGUNNPHMGHDQR-VQIMIIECSA-N 2 2 342.462 3.350 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc4[nH]c(=O)oc4c3)cn21 ZINC000647364110 461658797 /nfs/dbraw/zinc/65/87/97/461658797.db2.gz RYHVIDHTACNFDS-CYBMUJFWSA-N 2 2 336.395 3.383 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000656256158 461678147 /nfs/dbraw/zinc/67/81/47/461678147.db2.gz TZKPCFYEYRNBGV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000656256158 461678155 /nfs/dbraw/zinc/67/81/55/461678155.db2.gz TZKPCFYEYRNBGV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656256158 461678164 /nfs/dbraw/zinc/67/81/64/461678164.db2.gz TZKPCFYEYRNBGV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000656256158 461678171 /nfs/dbraw/zinc/67/81/71/461678171.db2.gz TZKPCFYEYRNBGV-LPHOPBHVSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)cc1 ZINC000631258724 461678378 /nfs/dbraw/zinc/67/83/78/461678378.db2.gz CVHSDAMUIRRJHS-FQEVSTJZSA-N 2 2 347.466 3.144 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3c[nH]nc3-c3cccnc3)C2)cc1 ZINC000631258724 461678390 /nfs/dbraw/zinc/67/83/90/461678390.db2.gz CVHSDAMUIRRJHS-FQEVSTJZSA-N 2 2 347.466 3.144 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656258539 461680837 /nfs/dbraw/zinc/68/08/37/461680837.db2.gz VIVDLCYUOZGLGI-IBGZPJMESA-N 2 2 326.488 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000656258539 461680845 /nfs/dbraw/zinc/68/08/45/461680845.db2.gz VIVDLCYUOZGLGI-IBGZPJMESA-N 2 2 326.488 3.405 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000656281473 461703869 /nfs/dbraw/zinc/70/38/69/461703869.db2.gz XUVUBYNWEIWLKH-LJQANCHMSA-N 2 2 339.483 3.230 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000656281473 461703872 /nfs/dbraw/zinc/70/38/72/461703872.db2.gz XUVUBYNWEIWLKH-LJQANCHMSA-N 2 2 339.483 3.230 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(CC)(CC)CC)CC2)CC1 ZINC000643362507 461708180 /nfs/dbraw/zinc/70/81/80/461708180.db2.gz QLSKMAGMEPDQKE-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(CC)(CC)CC)CC2)CC1 ZINC000643362507 461708186 /nfs/dbraw/zinc/70/81/86/461708186.db2.gz QLSKMAGMEPDQKE-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482528 461729604 /nfs/dbraw/zinc/72/96/04/461729604.db2.gz MLXHGPYSDJNOFM-UHFFFAOYSA-N 2 2 328.435 3.036 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482528 461729612 /nfs/dbraw/zinc/72/96/12/461729612.db2.gz MLXHGPYSDJNOFM-UHFFFAOYSA-N 2 2 328.435 3.036 20 0 EGADLP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@H]1C ZINC000663649242 461734261 /nfs/dbraw/zinc/73/42/61/461734261.db2.gz DZCMJQGXXKCGJL-ZWNOBZJWSA-N 2 2 341.297 3.165 20 0 EGADLP CC[N@H+]1CC[C@@H](N(C)c2nc(C)[nH+]c(C)c2Br)C[C@H]1C ZINC000663649242 461734271 /nfs/dbraw/zinc/73/42/71/461734271.db2.gz DZCMJQGXXKCGJL-ZWNOBZJWSA-N 2 2 341.297 3.165 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@@H]1[NH3+] ZINC000647498442 461737002 /nfs/dbraw/zinc/73/70/02/461737002.db2.gz HDNHSRXOCMYXRQ-YPMHNXCESA-N 2 2 340.393 3.151 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@@H]1[NH3+] ZINC000647498442 461737007 /nfs/dbraw/zinc/73/70/07/461737007.db2.gz HDNHSRXOCMYXRQ-YPMHNXCESA-N 2 2 340.393 3.151 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(N2CCCC2)n1 ZINC000643471338 461738502 /nfs/dbraw/zinc/73/85/02/461738502.db2.gz UZJDKPZCXRHNBC-XLIONFOSSA-N 2 2 338.499 3.038 20 0 EGADLP Cc1ncc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121355 461740925 /nfs/dbraw/zinc/74/09/25/461740925.db2.gz ZLQFDKMTSMAVGU-FFZOFVMBSA-N 2 2 336.483 3.218 20 0 EGADLP Cc1ncc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121355 461740933 /nfs/dbraw/zinc/74/09/33/461740933.db2.gz ZLQFDKMTSMAVGU-FFZOFVMBSA-N 2 2 336.483 3.218 20 0 EGADLP Cc1ncc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121355 461740939 /nfs/dbraw/zinc/74/09/39/461740939.db2.gz ZLQFDKMTSMAVGU-FFZOFVMBSA-N 2 2 336.483 3.218 20 0 EGADLP Cc1ncc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000639121355 461740949 /nfs/dbraw/zinc/74/09/49/461740949.db2.gz ZLQFDKMTSMAVGU-FFZOFVMBSA-N 2 2 336.483 3.218 20 0 EGADLP Oc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Br ZINC000656431535 461740916 /nfs/dbraw/zinc/74/09/16/461740916.db2.gz IUPHYVHASWGMJT-ZDUSSCGKSA-N 2 2 336.233 3.188 20 0 EGADLP Oc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Br ZINC000656431535 461740927 /nfs/dbraw/zinc/74/09/27/461740927.db2.gz IUPHYVHASWGMJT-ZDUSSCGKSA-N 2 2 336.233 3.188 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480204 461741612 /nfs/dbraw/zinc/74/16/12/461741612.db2.gz FTOPEMDQMNLFQY-JBINPLMMSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480204 461741618 /nfs/dbraw/zinc/74/16/18/461741618.db2.gz FTOPEMDQMNLFQY-JBINPLMMSA-N 3 2 327.516 3.017 20 0 EGADLP CO[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C1CCOCC1 ZINC000639136757 461753998 /nfs/dbraw/zinc/75/39/98/461753998.db2.gz QCKLAQWVWPKDTJ-IBGZPJMESA-N 2 2 338.536 3.064 20 0 EGADLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538436 461759133 /nfs/dbraw/zinc/75/91/33/461759133.db2.gz KIMQQFFCQCLXBH-CMKODMSKSA-N 2 2 328.431 3.269 20 0 EGADLP FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543774 461760358 /nfs/dbraw/zinc/76/03/58/461760358.db2.gz RTZZMZNQUXNZMX-NWDGAFQWSA-N 2 2 333.423 3.374 20 0 EGADLP FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647543774 461760366 /nfs/dbraw/zinc/76/03/66/461760366.db2.gz RTZZMZNQUXNZMX-NWDGAFQWSA-N 2 2 333.423 3.374 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1F ZINC000643548937 461760705 /nfs/dbraw/zinc/76/07/05/461760705.db2.gz XTCALBFNDKMGIK-DOMZBBRYSA-N 2 2 326.843 3.431 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1nc2cc(Br)ccc2o1 ZINC000639176250 461782490 /nfs/dbraw/zinc/78/24/90/461782490.db2.gz UCOWVKXOWBUBGR-UHFFFAOYSA-N 2 2 340.265 3.364 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1nc2cc(Br)ccc2o1 ZINC000639176250 461782497 /nfs/dbraw/zinc/78/24/97/461782497.db2.gz UCOWVKXOWBUBGR-UHFFFAOYSA-N 2 2 340.265 3.364 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c[nH+]1 ZINC000639265289 461833426 /nfs/dbraw/zinc/83/34/26/461833426.db2.gz ILNIWFIBNMUPCT-OAQYLSRUSA-N 2 2 336.435 3.433 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c[nH+]1 ZINC000639265289 461833435 /nfs/dbraw/zinc/83/34/35/461833435.db2.gz ILNIWFIBNMUPCT-OAQYLSRUSA-N 2 2 336.435 3.433 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557378 461850945 /nfs/dbraw/zinc/85/09/45/461850945.db2.gz LVVJRXXQJOYKNX-FUHWJXTLSA-N 2 2 343.471 3.226 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557378 461850952 /nfs/dbraw/zinc/85/09/52/461850952.db2.gz LVVJRXXQJOYKNX-FUHWJXTLSA-N 2 2 343.471 3.226 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000639374125 461892762 /nfs/dbraw/zinc/89/27/62/461892762.db2.gz AYCWFQMQKNNPDT-UHFFFAOYSA-N 2 2 342.462 3.462 20 0 EGADLP CC1([NH+]2CCCC2)CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000639375379 461894841 /nfs/dbraw/zinc/89/48/41/461894841.db2.gz USRMKUMIWZGNOZ-UHFFFAOYSA-N 2 2 332.879 3.438 20 0 EGADLP c1cn(-c2csc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)c2)c[nH+]1 ZINC000656786801 461897612 /nfs/dbraw/zinc/89/76/12/461897612.db2.gz QTZNRWYGYKQSIE-INIZCTEOSA-N 3 2 330.501 3.145 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656702 461906702 /nfs/dbraw/zinc/90/67/02/461906702.db2.gz NVLWLCFYXTWPQD-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656702 461906709 /nfs/dbraw/zinc/90/67/09/461906709.db2.gz NVLWLCFYXTWPQD-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656702 461906725 /nfs/dbraw/zinc/90/67/25/461906725.db2.gz NVLWLCFYXTWPQD-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656702 461906727 /nfs/dbraw/zinc/90/67/27/461906727.db2.gz NVLWLCFYXTWPQD-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656720 461907380 /nfs/dbraw/zinc/90/73/80/461907380.db2.gz WVZWSTYYDPXISW-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656720 461907383 /nfs/dbraw/zinc/90/73/83/461907383.db2.gz WVZWSTYYDPXISW-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656720 461907386 /nfs/dbraw/zinc/90/73/86/461907386.db2.gz WVZWSTYYDPXISW-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656720 461907389 /nfs/dbraw/zinc/90/73/89/461907389.db2.gz WVZWSTYYDPXISW-BEFAXECRSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647969125 461912177 /nfs/dbraw/zinc/91/21/77/461912177.db2.gz NRZZZQLKOLGDGC-CABCVRRESA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647969125 461912182 /nfs/dbraw/zinc/91/21/82/461912182.db2.gz NRZZZQLKOLGDGC-CABCVRRESA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647969125 461912184 /nfs/dbraw/zinc/91/21/84/461912184.db2.gz NRZZZQLKOLGDGC-CABCVRRESA-N 2 2 327.538 3.269 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647969125 461912187 /nfs/dbraw/zinc/91/21/87/461912187.db2.gz NRZZZQLKOLGDGC-CABCVRRESA-N 2 2 327.538 3.269 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724694 461916151 /nfs/dbraw/zinc/91/61/51/461916151.db2.gz KPWWMKHIGOICCP-UTUOFQBUSA-N 2 2 349.422 3.023 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(C(F)(F)F)s2)C1 ZINC000650724694 461916155 /nfs/dbraw/zinc/91/61/55/461916155.db2.gz KPWWMKHIGOICCP-UTUOFQBUSA-N 2 2 349.422 3.023 20 0 EGADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)nnn1-c1ccccc1 ZINC000650753326 461934856 /nfs/dbraw/zinc/93/48/56/461934856.db2.gz LGOBWYZIXJOQMV-ZDUSSCGKSA-N 2 2 339.418 3.024 20 0 EGADLP CC[C@@H]1CN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[C@@H]1[NH3+] ZINC000667099718 461949534 /nfs/dbraw/zinc/94/95/34/461949534.db2.gz UNUUUFKZWGBZEG-KDOFPFPSSA-N 2 2 340.427 3.465 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000644427954 461955630 /nfs/dbraw/zinc/95/56/30/461955630.db2.gz WCQMWHVBRMJESE-BSWAZPDLSA-N 2 2 342.405 3.257 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)C1 ZINC000644427954 461955634 /nfs/dbraw/zinc/95/56/34/461955634.db2.gz WCQMWHVBRMJESE-BSWAZPDLSA-N 2 2 342.405 3.257 20 0 EGADLP CCc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000664138591 461955757 /nfs/dbraw/zinc/95/57/57/461955757.db2.gz RHGJYUKVKXZTON-HNNXBMFYSA-N 2 2 339.487 3.055 20 0 EGADLP CCc1cc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000664138591 461955761 /nfs/dbraw/zinc/95/57/61/461955761.db2.gz RHGJYUKVKXZTON-HNNXBMFYSA-N 2 2 339.487 3.055 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511648 461963684 /nfs/dbraw/zinc/96/36/84/461963684.db2.gz RCQQIQHSOQNSGA-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511648 461963689 /nfs/dbraw/zinc/96/36/89/461963689.db2.gz RCQQIQHSOQNSGA-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511648 461963695 /nfs/dbraw/zinc/96/36/95/461963695.db2.gz RCQQIQHSOQNSGA-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000639511648 461963698 /nfs/dbraw/zinc/96/36/98/461963698.db2.gz RCQQIQHSOQNSGA-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000644551007 461982698 /nfs/dbraw/zinc/98/26/98/461982698.db2.gz ZZTSYFBIUXHQFK-GVDBMIGSSA-N 2 2 342.405 3.087 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000644551007 461982703 /nfs/dbraw/zinc/98/27/03/461982703.db2.gz ZZTSYFBIUXHQFK-GVDBMIGSSA-N 2 2 342.405 3.087 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)co2)c1 ZINC000639550759 461984477 /nfs/dbraw/zinc/98/44/77/461984477.db2.gz BXPLELYIQBQPKK-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)co2)c1 ZINC000639550759 461984484 /nfs/dbraw/zinc/98/44/84/461984484.db2.gz BXPLELYIQBQPKK-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660855287 461997104 /nfs/dbraw/zinc/99/71/04/461997104.db2.gz NMNAMNGLRGGDJK-OAHLLOKOSA-N 2 2 342.487 3.073 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccnn1CC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000657299921 462028242 /nfs/dbraw/zinc/02/82/42/462028242.db2.gz CCGSUWSUJRJSAY-FQEVSTJZSA-N 2 2 338.499 3.220 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ccnn1CC1CC1)[N@H+]1CCc2ccccc2C1 ZINC000657299921 462028246 /nfs/dbraw/zinc/02/82/46/462028246.db2.gz CCGSUWSUJRJSAY-FQEVSTJZSA-N 2 2 338.499 3.220 20 0 EGADLP CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657331203 462050740 /nfs/dbraw/zinc/05/07/40/462050740.db2.gz TVXOSNMNBPFVKK-UHFFFAOYSA-N 2 2 326.444 3.104 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388171 462091309 /nfs/dbraw/zinc/09/13/09/462091309.db2.gz GWVBIGMFQYZOHM-LPHOPBHVSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388171 462091312 /nfs/dbraw/zinc/09/13/12/462091312.db2.gz GWVBIGMFQYZOHM-LPHOPBHVSA-N 2 2 338.499 3.440 20 0 EGADLP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893512 462121599 /nfs/dbraw/zinc/12/15/99/462121599.db2.gz QDXJETUKMDRIOX-IEBWSBKVSA-N 2 2 345.531 3.182 20 0 EGADLP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893512 462121603 /nfs/dbraw/zinc/12/16/03/462121603.db2.gz QDXJETUKMDRIOX-IEBWSBKVSA-N 2 2 345.531 3.182 20 0 EGADLP COCC1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000648462594 462130860 /nfs/dbraw/zinc/13/08/60/462130860.db2.gz PSUFLLVLSPHBMC-KVZIAJEVSA-N 2 2 327.472 3.499 20 0 EGADLP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657467083 462141373 /nfs/dbraw/zinc/14/13/73/462141373.db2.gz FLBHNCBNTAGREK-UHFFFAOYSA-N 2 2 331.288 3.416 20 0 EGADLP C[C@H](CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)n1cc[nH+]c1 ZINC000651238094 462150718 /nfs/dbraw/zinc/15/07/18/462150718.db2.gz DDLVMTLXVSKOBW-IEBWSBKVSA-N 2 2 340.471 3.178 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)[nH+]1 ZINC000667614832 462173998 /nfs/dbraw/zinc/17/39/98/462173998.db2.gz IAVBXHXVZLGZEU-IRXDYDNUSA-N 2 2 330.476 3.250 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000639987395 462207800 /nfs/dbraw/zinc/20/78/00/462207800.db2.gz CXSVXMNSZQNSAJ-ROUUACIJSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657675779 462225776 /nfs/dbraw/zinc/22/57/76/462225776.db2.gz ZOFQCVBLSRCWGH-SJLPKXTDSA-N 2 2 329.488 3.400 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657675779 462225782 /nfs/dbraw/zinc/22/57/82/462225782.db2.gz ZOFQCVBLSRCWGH-SJLPKXTDSA-N 2 2 329.488 3.400 20 0 EGADLP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750585 462251987 /nfs/dbraw/zinc/25/19/87/462251987.db2.gz BWLPKZSMOYEOHK-FQEVSTJZSA-N 2 2 340.467 3.191 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651611212 462276874 /nfs/dbraw/zinc/27/68/74/462276874.db2.gz NLYNXJZIEQFGPL-UHFFFAOYSA-N 2 2 326.488 3.405 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651611212 462276880 /nfs/dbraw/zinc/27/68/80/462276880.db2.gz NLYNXJZIEQFGPL-UHFFFAOYSA-N 2 2 326.488 3.405 20 0 EGADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1)c1ccccc1 ZINC000657876051 462304874 /nfs/dbraw/zinc/30/48/74/462304874.db2.gz TZYVQARWHGPLPB-QKLQHJQFSA-N 2 2 342.483 3.400 20 0 EGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1c1c[nH+]cn1CC ZINC000648906549 462326175 /nfs/dbraw/zinc/32/61/75/462326175.db2.gz ABCKOQJRELUCIL-HZPDHXFCSA-N 2 2 343.475 3.367 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000654707182 462343341 /nfs/dbraw/zinc/34/33/41/462343341.db2.gz WBVWUDKKIGYBQT-IRXDYDNUSA-N 2 2 346.862 3.003 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000668004610 462369121 /nfs/dbraw/zinc/36/91/21/462369121.db2.gz HTGSKDOHVZKCIN-MSOLQXFVSA-N 2 2 340.471 3.167 20 0 EGADLP COc1ccc(-c2cc(C[NH2+]C3CC[NH+](C(C)C)CC3)on2)cc1 ZINC000658186604 462423026 /nfs/dbraw/zinc/42/30/26/462423026.db2.gz IKMUXJZDWUUVFA-UHFFFAOYSA-N 2 2 329.444 3.313 20 0 EGADLP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000658293339 462460214 /nfs/dbraw/zinc/46/02/14/462460214.db2.gz FUGIQNOWFZIIRK-LEWJYISDSA-N 2 2 328.500 3.159 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000658293448 462460755 /nfs/dbraw/zinc/46/07/55/462460755.db2.gz HDWDNKPUZPULEF-CZUORRHYSA-N 2 2 338.879 3.253 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295404 462461969 /nfs/dbraw/zinc/46/19/69/462461969.db2.gz SDUPSNXHDVNJFD-BBRMVZONSA-N 2 2 337.533 3.479 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000658354946 462487938 /nfs/dbraw/zinc/48/79/38/462487938.db2.gz DFJDWEBCQUKUGB-WMLDXEAASA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3OC)no2)[C@@H](C)C1 ZINC000658354946 462487945 /nfs/dbraw/zinc/48/79/45/462487945.db2.gz DFJDWEBCQUKUGB-WMLDXEAASA-N 2 2 329.444 3.170 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000646135028 462523988 /nfs/dbraw/zinc/52/39/88/462523988.db2.gz ATJZVJBBAOORAG-GOSISDBHSA-N 2 2 344.499 3.052 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000646135028 462523990 /nfs/dbraw/zinc/52/39/90/462523990.db2.gz ATJZVJBBAOORAG-GOSISDBHSA-N 2 2 344.499 3.052 20 0 EGADLP COCCCNc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000629733566 469617326 /nfs/dbraw/zinc/61/73/26/469617326.db2.gz YCURQZVYDOZAHU-UHFFFAOYSA-N 2 2 341.455 3.029 20 0 EGADLP CCc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nc[nH+]1 ZINC000603380275 479365295 /nfs/dbraw/zinc/36/52/95/479365295.db2.gz GQVZNVNLCCEXAP-HOTGVXAUSA-N 2 2 340.471 3.260 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1)[NH+](C)C ZINC000582356026 518191089 /nfs/dbraw/zinc/19/10/89/518191089.db2.gz RDFXNGWTRQIJDE-OPYAIIAOSA-N 2 2 342.483 3.016 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000178681909 534842228 /nfs/dbraw/zinc/84/22/28/534842228.db2.gz UGNRUWWKNULOKV-OAHLLOKOSA-N 2 2 326.488 3.216 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000178681909 534842232 /nfs/dbraw/zinc/84/22/32/534842232.db2.gz UGNRUWWKNULOKV-OAHLLOKOSA-N 2 2 326.488 3.216 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000174968031 527840009 /nfs/dbraw/zinc/84/00/09/527840009.db2.gz JFPGYIICFHZJIN-ULQDDVLXSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000174968031 527840014 /nfs/dbraw/zinc/84/00/14/527840014.db2.gz JFPGYIICFHZJIN-ULQDDVLXSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000174968031 527840017 /nfs/dbraw/zinc/84/00/17/527840017.db2.gz JFPGYIICFHZJIN-ULQDDVLXSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000174968031 527840018 /nfs/dbraw/zinc/84/00/18/527840018.db2.gz JFPGYIICFHZJIN-ULQDDVLXSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942057 527840474 /nfs/dbraw/zinc/84/04/74/527840474.db2.gz LMYRANRSJDROAS-IRXDYDNUSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942057 527840475 /nfs/dbraw/zinc/84/04/75/527840475.db2.gz LMYRANRSJDROAS-IRXDYDNUSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942057 527840481 /nfs/dbraw/zinc/84/04/81/527840481.db2.gz LMYRANRSJDROAS-IRXDYDNUSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000174942057 527840485 /nfs/dbraw/zinc/84/04/85/527840485.db2.gz LMYRANRSJDROAS-IRXDYDNUSA-N 2 2 347.503 3.076 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187455136 527899998 /nfs/dbraw/zinc/89/99/98/527899998.db2.gz OQSYCNSHXQYYOR-UXHICEINSA-N 2 2 342.462 3.129 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187455136 527900006 /nfs/dbraw/zinc/90/00/06/527900006.db2.gz OQSYCNSHXQYYOR-UXHICEINSA-N 2 2 342.462 3.129 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187455136 527900010 /nfs/dbraw/zinc/90/00/10/527900010.db2.gz OQSYCNSHXQYYOR-UXHICEINSA-N 2 2 342.462 3.129 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187455136 527900012 /nfs/dbraw/zinc/90/00/12/527900012.db2.gz OQSYCNSHXQYYOR-UXHICEINSA-N 2 2 342.462 3.129 20 0 EGADLP CCSc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccn1 ZINC000187794194 529238871 /nfs/dbraw/zinc/23/88/71/529238871.db2.gz YMKBSGFHGZYJNN-UHFFFAOYSA-N 2 2 342.512 3.343 20 0 EGADLP CCCCCC[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000173348936 535004771 /nfs/dbraw/zinc/00/47/71/535004771.db2.gz AFYHROUQSIEHHU-KRWDZBQOSA-N 2 2 337.552 3.268 20 0 EGADLP CC[C@@H]([NH2+]CCn1c(C)[nH+]c2ccccc21)C1(C(=O)OC)CCC1 ZINC000353533436 535804264 /nfs/dbraw/zinc/80/42/64/535804264.db2.gz FRLNFEGLRCTKHP-QGZVFWFLSA-N 2 2 329.444 3.056 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(SC)cc3)CC2)c1 ZINC000171612884 537117089 /nfs/dbraw/zinc/11/70/89/537117089.db2.gz FHVAQLRTSOHYLR-UHFFFAOYSA-N 2 2 329.469 3.134 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000088738583 546641972 /nfs/dbraw/zinc/64/19/72/546641972.db2.gz WEFRPIIKMMPTQE-GHTZIAJQSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000088738583 546641978 /nfs/dbraw/zinc/64/19/78/546641978.db2.gz WEFRPIIKMMPTQE-GHTZIAJQSA-N 2 2 348.494 3.295 20 0 EGADLP Cn1c2ccc(Nc3cc(-n4cc[nH+]c4)ncn3)cc2[nH+]c1C1CC1 ZINC000089649143 546646325 /nfs/dbraw/zinc/64/63/25/546646325.db2.gz MIFQCNYRZWXUPI-UHFFFAOYSA-N 2 2 331.383 3.170 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCOCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000090168547 546654021 /nfs/dbraw/zinc/65/40/21/546654021.db2.gz KMDARLCBPLPEOY-HNNXBMFYSA-N 2 2 330.394 3.208 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCOCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000090168547 546654028 /nfs/dbraw/zinc/65/40/28/546654028.db2.gz KMDARLCBPLPEOY-HNNXBMFYSA-N 2 2 330.394 3.208 20 0 EGADLP C[NH+]1CCC(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185045 546654312 /nfs/dbraw/zinc/65/43/12/546654312.db2.gz CDEYETFFTOZIAU-FQEVSTJZSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185045 546654316 /nfs/dbraw/zinc/65/43/16/546654316.db2.gz CDEYETFFTOZIAU-FQEVSTJZSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092728558 546678100 /nfs/dbraw/zinc/67/81/00/546678100.db2.gz BCEBJZQEEQCJSA-SFHVURJKSA-N 2 2 328.460 3.077 20 0 EGADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000092728558 546678106 /nfs/dbraw/zinc/67/81/06/546678106.db2.gz BCEBJZQEEQCJSA-SFHVURJKSA-N 2 2 328.460 3.077 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)CC1 ZINC000120518236 546715853 /nfs/dbraw/zinc/71/58/53/546715853.db2.gz PZGPCDONWKQZEM-IBGZPJMESA-N 2 2 332.488 3.127 20 0 EGADLP Cc1cccnc1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000121935340 546730475 /nfs/dbraw/zinc/73/04/75/546730475.db2.gz SXPKOPWGTQOJRN-PMACEKPBSA-N 2 2 341.499 3.170 20 0 EGADLP Cc1cccnc1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000121935340 546730482 /nfs/dbraw/zinc/73/04/82/546730482.db2.gz SXPKOPWGTQOJRN-PMACEKPBSA-N 2 2 341.499 3.170 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158890441 546931164 /nfs/dbraw/zinc/93/11/64/546931164.db2.gz ACSKEJCYTIDUPS-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158890441 546931166 /nfs/dbraw/zinc/93/11/66/546931166.db2.gz ACSKEJCYTIDUPS-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158890441 546931168 /nfs/dbraw/zinc/93/11/68/546931168.db2.gz ACSKEJCYTIDUPS-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158890441 546931169 /nfs/dbraw/zinc/93/11/69/546931169.db2.gz ACSKEJCYTIDUPS-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000163744479 546974757 /nfs/dbraw/zinc/97/47/57/546974757.db2.gz KQDMOUWREZEMJC-ZDUSSCGKSA-N 2 2 346.393 3.347 20 0 EGADLP CCc1nn(C)cc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367780 547055548 /nfs/dbraw/zinc/05/55/48/547055548.db2.gz QYKZIDHRQGSLTN-UHFFFAOYSA-N 2 2 341.503 3.116 20 0 EGADLP CCc1nn(C)cc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367780 547055552 /nfs/dbraw/zinc/05/55/52/547055552.db2.gz QYKZIDHRQGSLTN-UHFFFAOYSA-N 2 2 341.503 3.116 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000189287081 547157512 /nfs/dbraw/zinc/15/75/12/547157512.db2.gz IVNMDEFIVSFFKQ-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000189287081 547157516 /nfs/dbraw/zinc/15/75/16/547157516.db2.gz IVNMDEFIVSFFKQ-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000220970927 547243214 /nfs/dbraw/zinc/24/32/14/547243214.db2.gz UMIVBZVHWRKLGN-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP O[C@]1(C[NH2+]Cc2cc(F)cc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000220970927 547243219 /nfs/dbraw/zinc/24/32/19/547243219.db2.gz UMIVBZVHWRKLGN-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000286286294 547392959 /nfs/dbraw/zinc/39/29/59/547392959.db2.gz VZZDIHBRSAVCRH-GJZGRUSLSA-N 2 2 345.466 3.103 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000286286288 547393048 /nfs/dbraw/zinc/39/30/48/547393048.db2.gz VZZDIHBRSAVCRH-CABCVRRESA-N 2 2 345.466 3.103 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000286286302 547393191 /nfs/dbraw/zinc/39/31/91/547393191.db2.gz VZZDIHBRSAVCRH-LSDHHAIUSA-N 2 2 345.466 3.103 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000312522529 547464420 /nfs/dbraw/zinc/46/44/20/547464420.db2.gz OSFZNUVUBDXOCN-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000312522529 547464425 /nfs/dbraw/zinc/46/44/25/547464425.db2.gz OSFZNUVUBDXOCN-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339072292 547568025 /nfs/dbraw/zinc/56/80/25/547568025.db2.gz WCEIEVVERXXTSA-SFTDATJTSA-N 3 2 327.516 3.176 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339072292 547568029 /nfs/dbraw/zinc/56/80/29/547568029.db2.gz WCEIEVVERXXTSA-SFTDATJTSA-N 3 2 327.516 3.176 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccnn1-c1ccccc1 ZINC000342735011 547596900 /nfs/dbraw/zinc/59/69/00/547596900.db2.gz KXANEIIZWPCDRD-MRXNPFEDSA-N 2 2 331.423 3.413 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390570369 547827711 /nfs/dbraw/zinc/82/77/11/547827711.db2.gz BHRFENIDWXZZFF-FQEVSTJZSA-N 2 2 340.515 3.373 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390570369 547827715 /nfs/dbraw/zinc/82/77/15/547827715.db2.gz BHRFENIDWXZZFF-FQEVSTJZSA-N 2 2 340.515 3.373 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)ccc1O ZINC000390552348 547828495 /nfs/dbraw/zinc/82/84/95/547828495.db2.gz DLQCBFIVDXQNGV-INIZCTEOSA-N 2 2 328.456 3.401 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1O ZINC000390552348 547828500 /nfs/dbraw/zinc/82/85/00/547828500.db2.gz DLQCBFIVDXQNGV-INIZCTEOSA-N 2 2 328.456 3.401 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949052 547885866 /nfs/dbraw/zinc/88/58/66/547885866.db2.gz GENJVJVKRYDFRS-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949052 547885869 /nfs/dbraw/zinc/88/58/69/547885869.db2.gz GENJVJVKRYDFRS-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1cccc(F)c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425949052 547885873 /nfs/dbraw/zinc/88/58/73/547885873.db2.gz GENJVJVKRYDFRS-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1cccc(F)c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425949052 547885878 /nfs/dbraw/zinc/88/58/78/547885878.db2.gz GENJVJVKRYDFRS-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000443671833 547921933 /nfs/dbraw/zinc/92/19/33/547921933.db2.gz DPNSFMHCHLIHLW-GFCCVEGCSA-N 2 2 339.361 3.386 20 0 EGADLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000443671833 547921936 /nfs/dbraw/zinc/92/19/36/547921936.db2.gz DPNSFMHCHLIHLW-GFCCVEGCSA-N 2 2 339.361 3.386 20 0 EGADLP Fc1ccccc1SCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986065 548244449 /nfs/dbraw/zinc/24/44/49/548244449.db2.gz OPNCKRXTEXPAOD-MRXNPFEDSA-N 2 2 338.492 3.105 20 0 EGADLP Fc1ccccc1SCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986065 548244450 /nfs/dbraw/zinc/24/44/50/548244450.db2.gz OPNCKRXTEXPAOD-MRXNPFEDSA-N 2 2 338.492 3.105 20 0 EGADLP CC[N@@H+](Cc1ccoc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240826 548266819 /nfs/dbraw/zinc/26/68/19/548266819.db2.gz XOKRKMGKCMQFQC-HXUWFJFHSA-N 2 2 328.456 3.393 20 0 EGADLP CC[N@H+](Cc1ccoc1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240826 548266820 /nfs/dbraw/zinc/26/68/20/548266820.db2.gz XOKRKMGKCMQFQC-HXUWFJFHSA-N 2 2 328.456 3.393 20 0 EGADLP CC[NH+](Cc1ccoc1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671240826 548266822 /nfs/dbraw/zinc/26/68/22/548266822.db2.gz XOKRKMGKCMQFQC-HXUWFJFHSA-N 2 2 328.456 3.393 20 0 EGADLP CC[NH+](Cc1ccoc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671240826 548266827 /nfs/dbraw/zinc/26/68/27/548266827.db2.gz XOKRKMGKCMQFQC-HXUWFJFHSA-N 2 2 328.456 3.393 20 0 EGADLP Cc1cccn2cc(CN(C)CCC[N@H+](C)Cc3ccco3)[nH+]c12 ZINC000671740010 548348922 /nfs/dbraw/zinc/34/89/22/548348922.db2.gz DIRIYHFNLFPYOL-UHFFFAOYSA-N 2 2 326.444 3.190 20 0 EGADLP Cc1cccn2cc(CN(C)CCC[N@@H+](C)Cc3ccco3)[nH+]c12 ZINC000671740010 548348925 /nfs/dbraw/zinc/34/89/25/548348925.db2.gz DIRIYHFNLFPYOL-UHFFFAOYSA-N 2 2 326.444 3.190 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)Nc1cc(-n2cc[nH+]c2)ncn1)[NH+](C)C ZINC000672343008 548426856 /nfs/dbraw/zinc/42/68/56/548426856.db2.gz BHWBAQZAKSUZIR-BEFAXECRSA-N 2 2 336.443 3.074 20 0 EGADLP OC[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000673617155 548582330 /nfs/dbraw/zinc/58/23/30/548582330.db2.gz YBNYFFSYPPONFJ-KRWDZBQOSA-N 2 2 341.842 3.391 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000674233109 548707926 /nfs/dbraw/zinc/70/79/26/548707926.db2.gz KBWJASXFHLNHPA-HNNXBMFYSA-N 2 2 338.411 3.453 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)on2)cc1 ZINC000674233109 548707928 /nfs/dbraw/zinc/70/79/28/548707928.db2.gz KBWJASXFHLNHPA-HNNXBMFYSA-N 2 2 338.411 3.453 20 0 EGADLP CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000674489962 548758076 /nfs/dbraw/zinc/75/80/76/548758076.db2.gz HFZVWIVNLPHLCE-AWEZNQCLSA-N 2 2 349.500 3.081 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000675255618 548881841 /nfs/dbraw/zinc/88/18/41/548881841.db2.gz AQPYRGOILSKWPO-RDJZCZTQSA-N 2 2 344.459 3.041 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC000675881709 548996800 /nfs/dbraw/zinc/99/68/00/548996800.db2.gz MRZOFEXLKWNTKD-WBVHZDCISA-N 2 2 336.863 3.007 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000677475093 549276635 /nfs/dbraw/zinc/27/66/35/549276635.db2.gz HFBVVXYGUDXRMJ-GOSISDBHSA-N 2 2 336.439 3.025 20 0 EGADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000677475093 549276638 /nfs/dbraw/zinc/27/66/38/549276638.db2.gz HFBVVXYGUDXRMJ-GOSISDBHSA-N 2 2 336.439 3.025 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000678079977 549392079 /nfs/dbraw/zinc/39/20/79/549392079.db2.gz JPPORUVQUFSKEL-UHFFFAOYSA-N 2 2 325.416 3.072 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000678079977 549392080 /nfs/dbraw/zinc/39/20/80/549392080.db2.gz JPPORUVQUFSKEL-UHFFFAOYSA-N 2 2 325.416 3.072 20 0 EGADLP C[C@](CO)([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C(F)(F)F)c1 ZINC000678302499 549464886 /nfs/dbraw/zinc/46/48/86/549464886.db2.gz FOCQHDLBUMTJCJ-QGZVFWFLSA-N 2 2 349.356 3.350 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3cccs3)c2cc1C ZINC000678586312 549525345 /nfs/dbraw/zinc/52/53/45/549525345.db2.gz DRYWCZYGCQQRIC-LSDHHAIUSA-N 2 2 329.469 3.426 20 0 EGADLP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782197 549561229 /nfs/dbraw/zinc/56/12/29/549561229.db2.gz JKQJRFCJRZZMMK-JKSUJKDBSA-N 2 2 330.394 3.467 20 0 EGADLP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782197 549561233 /nfs/dbraw/zinc/56/12/33/549561233.db2.gz JKQJRFCJRZZMMK-JKSUJKDBSA-N 2 2 330.394 3.467 20 0 EGADLP c1cn([C@@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)c[nH+]1 ZINC000678822920 549570315 /nfs/dbraw/zinc/57/03/15/549570315.db2.gz LPADWHGJMRSBAR-CQSZACIVSA-N 2 2 327.457 3.307 20 0 EGADLP c1cn([C@@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)c[nH+]1 ZINC000678822920 549570320 /nfs/dbraw/zinc/57/03/20/549570320.db2.gz LPADWHGJMRSBAR-CQSZACIVSA-N 2 2 327.457 3.307 20 0 EGADLP COc1ccc2ccccc2c1-c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000679212055 549657955 /nfs/dbraw/zinc/65/79/55/549657955.db2.gz AGBNLHPCEFVOEC-HZPDHXFCSA-N 2 2 349.434 3.155 20 0 EGADLP CCc1nnc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000680070830 549815839 /nfs/dbraw/zinc/81/58/39/549815839.db2.gz VCWGFEFVUAVYQQ-AWEZNQCLSA-N 2 2 341.484 3.423 20 0 EGADLP CCc1nnc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000680070830 549815840 /nfs/dbraw/zinc/81/58/40/549815840.db2.gz VCWGFEFVUAVYQQ-AWEZNQCLSA-N 2 2 341.484 3.423 20 0 EGADLP CC[C@@H](C)CCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000680190890 549830449 /nfs/dbraw/zinc/83/04/49/549830449.db2.gz WBNNWQNOXMEOCW-QGZVFWFLSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000680834967 549915751 /nfs/dbraw/zinc/91/57/51/549915751.db2.gz UYHXQKSUVLVZCD-FGZHOGPDSA-N 2 2 338.495 3.010 20 0 EGADLP Cc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000680834967 549915753 /nfs/dbraw/zinc/91/57/53/549915753.db2.gz UYHXQKSUVLVZCD-FGZHOGPDSA-N 2 2 338.495 3.010 20 0 EGADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000682406433 550095469 /nfs/dbraw/zinc/09/54/69/550095469.db2.gz AZRRBFGCYDJAIJ-QGZVFWFLSA-N 2 2 343.496 3.335 20 0 EGADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000682406433 550095470 /nfs/dbraw/zinc/09/54/70/550095470.db2.gz AZRRBFGCYDJAIJ-QGZVFWFLSA-N 2 2 343.496 3.335 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000683015642 550178817 /nfs/dbraw/zinc/17/88/17/550178817.db2.gz KEYXCOYTZJIUJL-UHFFFAOYSA-N 2 2 333.435 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000683015642 550178820 /nfs/dbraw/zinc/17/88/20/550178820.db2.gz KEYXCOYTZJIUJL-UHFFFAOYSA-N 2 2 333.435 3.487 20 0 EGADLP c1cc(C[NH2+]Cc2ccc3cnccc3c2)cc(C[NH+]2CCOCC2)c1 ZINC000683765773 550259010 /nfs/dbraw/zinc/25/90/10/550259010.db2.gz FMIWDOGBMYJNIB-UHFFFAOYSA-N 2 2 347.462 3.357 20 0 EGADLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)[nH]1 ZINC000684005553 550282137 /nfs/dbraw/zinc/28/21/37/550282137.db2.gz UAXPNTXYNDOSBL-UHFFFAOYSA-N 2 2 340.471 3.227 20 0 EGADLP CC[N@H+](Cc1csc(COC)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456443 550418335 /nfs/dbraw/zinc/41/83/35/550418335.db2.gz OUNXFOIWQAJSEP-UHFFFAOYSA-N 2 2 333.501 3.373 20 0 EGADLP CC[N@@H+](Cc1csc(COC)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000685456443 550418337 /nfs/dbraw/zinc/41/83/37/550418337.db2.gz OUNXFOIWQAJSEP-UHFFFAOYSA-N 2 2 333.501 3.373 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470398 550421032 /nfs/dbraw/zinc/42/10/32/550421032.db2.gz LJCVQAGQYJHYBI-KXBFYZLASA-N 2 2 346.906 3.357 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470398 550421034 /nfs/dbraw/zinc/42/10/34/550421034.db2.gz LJCVQAGQYJHYBI-KXBFYZLASA-N 2 2 346.906 3.357 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470398 550421036 /nfs/dbraw/zinc/42/10/36/550421036.db2.gz LJCVQAGQYJHYBI-KXBFYZLASA-N 2 2 346.906 3.357 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470398 550421039 /nfs/dbraw/zinc/42/10/39/550421039.db2.gz LJCVQAGQYJHYBI-KXBFYZLASA-N 2 2 346.906 3.357 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)C3)cc2)c1 ZINC000729681858 574878074 /nfs/dbraw/zinc/87/80/74/574878074.db2.gz LHMDLXCIZPMGQV-INIZCTEOSA-N 2 2 342.439 3.290 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C3)cc2)c1 ZINC000729681858 574878075 /nfs/dbraw/zinc/87/80/75/574878075.db2.gz LHMDLXCIZPMGQV-INIZCTEOSA-N 2 2 342.439 3.290 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000731032800 575047665 /nfs/dbraw/zinc/04/76/65/575047665.db2.gz PEEWIPXLKUSJHS-OALUTQOASA-N 2 2 342.483 3.042 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000731032800 575047668 /nfs/dbraw/zinc/04/76/68/575047668.db2.gz PEEWIPXLKUSJHS-OALUTQOASA-N 2 2 342.483 3.042 20 0 EGADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000732278321 575253613 /nfs/dbraw/zinc/25/36/13/575253613.db2.gz IADIADADZBCNFB-MRXNPFEDSA-N 2 2 348.878 3.079 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2occc2Br)C1 ZINC000735321251 575643086 /nfs/dbraw/zinc/64/30/86/575643086.db2.gz ZVQDDJUSILWNAV-BETUJISGSA-N 2 2 329.282 3.500 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2occc2Br)C1 ZINC000735321251 575643088 /nfs/dbraw/zinc/64/30/88/575643088.db2.gz ZVQDDJUSILWNAV-BETUJISGSA-N 2 2 329.282 3.500 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882074 576633205 /nfs/dbraw/zinc/63/32/05/576633205.db2.gz GEZONRPWZAKNQG-DOMZBBRYSA-N 2 2 349.910 3.235 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882074 576633207 /nfs/dbraw/zinc/63/32/07/576633207.db2.gz GEZONRPWZAKNQG-DOMZBBRYSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882074 576633208 /nfs/dbraw/zinc/63/32/08/576633208.db2.gz GEZONRPWZAKNQG-DOMZBBRYSA-N 2 2 349.910 3.235 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(C)nn(C)c3nc2Cl)C[C@H]1C ZINC000740882074 576633210 /nfs/dbraw/zinc/63/32/10/576633210.db2.gz GEZONRPWZAKNQG-DOMZBBRYSA-N 2 2 349.910 3.235 20 0 EGADLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000825313362 609333704 /nfs/dbraw/zinc/33/37/04/609333704.db2.gz CKNXYUMCLYTGJV-CQSZACIVSA-N 2 2 348.470 3.169 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1Br ZINC000719460091 1298316858 /nfs/dbraw/zinc/31/68/58/1298316858.db2.gz GBHHWVTVPLDIBE-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229120 1291435984 /nfs/dbraw/zinc/43/59/84/1291435984.db2.gz ONAYLIYYCIAFMR-HNNXBMFYSA-N 2 2 344.890 3.408 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229120 1291435986 /nfs/dbraw/zinc/43/59/86/1291435986.db2.gz ONAYLIYYCIAFMR-HNNXBMFYSA-N 2 2 344.890 3.408 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000076001492 1292416777 /nfs/dbraw/zinc/41/67/77/1292416777.db2.gz ALPMQNQVTALYLO-AZUAARDMSA-N 2 2 343.515 3.154 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000076001492 1292416781 /nfs/dbraw/zinc/41/67/81/1292416781.db2.gz ALPMQNQVTALYLO-AZUAARDMSA-N 2 2 343.515 3.154 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125037395 1293493089 /nfs/dbraw/zinc/49/30/89/1293493089.db2.gz ZDPATSKVEIPCIE-QGZVFWFLSA-N 2 2 339.524 3.242 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000125037395 1293493094 /nfs/dbraw/zinc/49/30/94/1293493094.db2.gz ZDPATSKVEIPCIE-QGZVFWFLSA-N 2 2 339.524 3.242 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)cn1 ZINC000126416450 1293533529 /nfs/dbraw/zinc/53/35/29/1293533529.db2.gz FYONAXMJYMDKGT-GFCCVEGCSA-N 2 2 327.819 3.475 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc(C(C)C)s2)CC1 ZINC000133242541 1293739761 /nfs/dbraw/zinc/73/97/61/1293739761.db2.gz NVHHBTWPWNJPDC-UHFFFAOYSA-N 2 2 325.522 3.246 20 0 EGADLP c1cn(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999430 1294192814 /nfs/dbraw/zinc/19/28/14/1294192814.db2.gz MGMJXDQXNDCUKN-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999430 1294192818 /nfs/dbraw/zinc/19/28/18/1294192818.db2.gz MGMJXDQXNDCUKN-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999430 1294192823 /nfs/dbraw/zinc/19/28/23/1294192823.db2.gz MGMJXDQXNDCUKN-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP c1cn(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1ccccc1 ZINC000157999430 1294192829 /nfs/dbraw/zinc/19/28/29/1294192829.db2.gz MGMJXDQXNDCUKN-NQIIRXRSSA-N 2 2 336.483 3.456 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000160500816 1294269856 /nfs/dbraw/zinc/26/98/56/1294269856.db2.gz AYUVVWDJWZOGIB-BFYDXBDKSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000160500816 1294269862 /nfs/dbraw/zinc/26/98/62/1294269862.db2.gz AYUVVWDJWZOGIB-BFYDXBDKSA-N 2 2 339.524 3.237 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000162365254 1294314089 /nfs/dbraw/zinc/31/40/89/1294314089.db2.gz DGOISAGCKNFOPK-HNNXBMFYSA-N 2 2 347.507 3.090 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000162365254 1294314094 /nfs/dbraw/zinc/31/40/94/1294314094.db2.gz DGOISAGCKNFOPK-HNNXBMFYSA-N 2 2 347.507 3.090 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167070122 1294364578 /nfs/dbraw/zinc/36/45/78/1294364578.db2.gz JDRZSSBTRVFZOF-IRXDYDNUSA-N 2 2 339.524 3.191 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167070122 1294364584 /nfs/dbraw/zinc/36/45/84/1294364584.db2.gz JDRZSSBTRVFZOF-IRXDYDNUSA-N 2 2 339.524 3.191 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000236583020 1296190265 /nfs/dbraw/zinc/19/02/65/1296190265.db2.gz UKVFJILZFBNBFU-IBGZPJMESA-N 2 2 338.451 3.212 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000236583020 1296190271 /nfs/dbraw/zinc/19/02/71/1296190271.db2.gz UKVFJILZFBNBFU-IBGZPJMESA-N 2 2 338.451 3.212 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1 ZINC000289569832 1296745948 /nfs/dbraw/zinc/74/59/48/1296745948.db2.gz SJBXRUSLBNOSTR-KBXCAEBGSA-N 2 2 338.459 3.357 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](O)c1ccccc1 ZINC000872133085 1296757517 /nfs/dbraw/zinc/75/75/17/1296757517.db2.gz NKSMUAYJBWYFAG-ICSRJNTNSA-N 2 2 325.456 3.152 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514802 1296789767 /nfs/dbraw/zinc/78/97/67/1296789767.db2.gz ODWVFLCHZWWNMF-IAGOWNOFSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000301516094 1296789894 /nfs/dbraw/zinc/78/98/94/1296789894.db2.gz SFNZZAZDWAYJJO-BRWVUGGUSA-N 2 2 341.540 3.484 20 0 EGADLP Clc1cnc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000873283200 1297408804 /nfs/dbraw/zinc/40/88/04/1297408804.db2.gz OITUAFJIEGQWPM-LRDDRELGSA-N 2 2 335.860 3.142 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000378957828 1297530833 /nfs/dbraw/zinc/53/08/33/1297530833.db2.gz NODBZZMVEYKUDD-UONOGXRCSA-N 2 2 346.418 3.251 20 0 EGADLP FC(F)(F)Sc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000378957828 1297530840 /nfs/dbraw/zinc/53/08/40/1297530840.db2.gz NODBZZMVEYKUDD-UONOGXRCSA-N 2 2 346.418 3.251 20 0 EGADLP c1sc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1-c1ccccc1 ZINC000393372917 1297665912 /nfs/dbraw/zinc/66/59/12/1297665912.db2.gz HPNUHKZETFVUGE-MSOLQXFVSA-N 2 2 328.481 3.368 20 0 EGADLP c1sc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1-c1ccccc1 ZINC000393372917 1297665925 /nfs/dbraw/zinc/66/59/25/1297665925.db2.gz HPNUHKZETFVUGE-MSOLQXFVSA-N 2 2 328.481 3.368 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000687673586 1298119530 /nfs/dbraw/zinc/11/95/30/1298119530.db2.gz UGKIVDDSACKDTJ-OFLPRAFFSA-N 2 2 339.524 3.144 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000687673586 1298119534 /nfs/dbraw/zinc/11/95/34/1298119534.db2.gz UGKIVDDSACKDTJ-OFLPRAFFSA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(Br)s1 ZINC000714067752 1298271227 /nfs/dbraw/zinc/27/12/27/1298271227.db2.gz MYZJJYJMFPDWDR-JTQLQIEISA-N 2 2 343.294 3.307 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000724026611 1298343849 /nfs/dbraw/zinc/34/38/49/1298343849.db2.gz GREWXBNKCXRQHC-SJORKVTESA-N 2 2 339.524 3.145 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724031561 1298345652 /nfs/dbraw/zinc/34/56/52/1298345652.db2.gz YNSXUDUEYLNFIU-IKGGRYGDSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746650529 1298630593 /nfs/dbraw/zinc/63/05/93/1298630593.db2.gz AIMIHSBVBRCIQB-JSGCOSHPSA-N 2 2 331.287 3.443 20 0 EGADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000746650529 1298630597 /nfs/dbraw/zinc/63/05/97/1298630597.db2.gz AIMIHSBVBRCIQB-JSGCOSHPSA-N 2 2 331.287 3.443 20 0 EGADLP CC(C)(C)OC(=O)NCC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000876621124 1298875181 /nfs/dbraw/zinc/87/51/81/1298875181.db2.gz VVYGDHZAIXVNGO-OAHLLOKOSA-N 2 2 348.491 3.284 20 0 EGADLP CC(C)(C)OC(=O)NCC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000876621124 1298875186 /nfs/dbraw/zinc/87/51/86/1298875186.db2.gz VVYGDHZAIXVNGO-OAHLLOKOSA-N 2 2 348.491 3.284 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055056 1299135307 /nfs/dbraw/zinc/13/53/07/1299135307.db2.gz OBENPRTWXYEZMP-WBMJQRKESA-N 2 2 336.892 3.364 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)nn2)[C@H]1c1cccs1 ZINC000877055056 1299135312 /nfs/dbraw/zinc/13/53/12/1299135312.db2.gz OBENPRTWXYEZMP-WBMJQRKESA-N 2 2 336.892 3.364 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000749299266 1299189089 /nfs/dbraw/zinc/18/90/89/1299189089.db2.gz VIKKROVDTJBRGY-XLIONFOSSA-N 2 2 327.472 3.152 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000749299266 1299189094 /nfs/dbraw/zinc/18/90/94/1299189094.db2.gz VIKKROVDTJBRGY-XLIONFOSSA-N 2 2 327.472 3.152 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743839 1299521839 /nfs/dbraw/zinc/52/18/39/1299521839.db2.gz NBUCHHGUQOHZLH-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1OCC(C)C ZINC000877743839 1299521844 /nfs/dbraw/zinc/52/18/44/1299521844.db2.gz NBUCHHGUQOHZLH-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1OCC(C)C ZINC000877743839 1299521850 /nfs/dbraw/zinc/52/18/50/1299521850.db2.gz NBUCHHGUQOHZLH-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1OCC(C)C ZINC000877743839 1299521856 /nfs/dbraw/zinc/52/18/56/1299521856.db2.gz NBUCHHGUQOHZLH-ROUUACIJSA-N 2 2 332.488 3.256 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)co1 ZINC000878172339 1299794147 /nfs/dbraw/zinc/79/41/47/1299794147.db2.gz GOCJMDXBAIUOQB-UHFFFAOYSA-N 2 2 338.411 3.453 20 0 EGADLP FC(F)(F)COCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568927 1301164269 /nfs/dbraw/zinc/16/42/69/1301164269.db2.gz HIDHDSNPGGNPNE-OAHLLOKOSA-N 2 2 327.350 3.183 20 0 EGADLP CN(CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)Cc1ccccc1 ZINC000880569401 1301166079 /nfs/dbraw/zinc/16/60/79/1301166079.db2.gz JXWTUORAUKCOIJ-NRFANRHFSA-N 2 2 334.467 3.346 20 0 EGADLP c1cn(C[C@@H]([NH2+]Cc2cccc3c2OCCO3)c2ccccc2)c[nH+]1 ZINC000880571954 1301166148 /nfs/dbraw/zinc/16/61/48/1301166148.db2.gz WXIOFOZSIWYQFX-GOSISDBHSA-N 2 2 335.407 3.185 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cc2)c[nH+]1 ZINC000762612678 1301712913 /nfs/dbraw/zinc/71/29/13/1301712913.db2.gz HYMICIUYGQZNAX-IKGGRYGDSA-N 2 2 331.510 3.342 20 0 EGADLP CC(C)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccn1 ZINC000765972528 1302358998 /nfs/dbraw/zinc/35/89/98/1302358998.db2.gz AGGBOXFXGLQMTM-ICSRJNTNSA-N 2 2 331.504 3.402 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)[C@@H]1C ZINC000883388610 1302427363 /nfs/dbraw/zinc/42/73/63/1302427363.db2.gz YQYLWOZHYCAFJC-XGXHKWSGSA-N 2 2 341.455 3.192 20 0 EGADLP COc1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000883451219 1302447895 /nfs/dbraw/zinc/44/78/95/1302447895.db2.gz JWADWOAYSVRMLW-NRFANRHFSA-N 2 2 348.450 3.027 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000886707883 1303572898 /nfs/dbraw/zinc/57/28/98/1303572898.db2.gz VOOWUHJIKPHHKG-KSZLIROESA-N 2 2 335.536 3.115 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867884 1303619847 /nfs/dbraw/zinc/61/98/47/1303619847.db2.gz PUIJJMGSCPLJOL-HNAYVOBHSA-N 2 2 326.444 3.263 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867884 1303619852 /nfs/dbraw/zinc/61/98/52/1303619852.db2.gz PUIJJMGSCPLJOL-HNAYVOBHSA-N 2 2 326.444 3.263 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867883 1303619874 /nfs/dbraw/zinc/61/98/74/1303619874.db2.gz PUIJJMGSCPLJOL-DNVCBOLYSA-N 2 2 326.444 3.263 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867883 1303619879 /nfs/dbraw/zinc/61/98/79/1303619879.db2.gz PUIJJMGSCPLJOL-DNVCBOLYSA-N 2 2 326.444 3.263 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000773108852 1303626472 /nfs/dbraw/zinc/62/64/72/1303626472.db2.gz RQORHJUXDKMKAE-QGZVFWFLSA-N 2 2 331.504 3.269 20 0 EGADLP O[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000774763304 1303856278 /nfs/dbraw/zinc/85/62/78/1303856278.db2.gz YUZPUZQPRFWMDT-QGZVFWFLSA-N 2 2 331.847 3.345 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000888576474 1304202744 /nfs/dbraw/zinc/20/27/44/1304202744.db2.gz YWXCDRPXJRULOC-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000888576474 1304202748 /nfs/dbraw/zinc/20/27/48/1304202748.db2.gz YWXCDRPXJRULOC-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778807389 1304494500 /nfs/dbraw/zinc/49/45/00/1304494500.db2.gz AHQMBTGIBWAYRI-SFHVURJKSA-N 2 2 329.444 3.208 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778807389 1304494503 /nfs/dbraw/zinc/49/45/03/1304494503.db2.gz AHQMBTGIBWAYRI-SFHVURJKSA-N 2 2 329.444 3.208 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000779065759 1304525225 /nfs/dbraw/zinc/52/52/25/1304525225.db2.gz OWXSVQOGZPUOBH-GXSJLCMTSA-N 2 2 325.243 3.438 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073410 1304525817 /nfs/dbraw/zinc/52/58/17/1304525817.db2.gz OZTXHDICNRBNDB-IKGGRYGDSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779073410 1304525822 /nfs/dbraw/zinc/52/58/22/1304525822.db2.gz OZTXHDICNRBNDB-IKGGRYGDSA-N 2 2 339.524 3.001 20 0 EGADLP COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000782969218 1305032032 /nfs/dbraw/zinc/03/20/32/1305032032.db2.gz ZRZZOSRDLGQVOF-INIZCTEOSA-N 2 2 349.434 3.439 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+](CC(C)(C)C)CC(C)(C)C)C1 ZINC000783991731 1305171697 /nfs/dbraw/zinc/17/16/97/1305171697.db2.gz GYXSKGVAYKQHHB-OAHLLOKOSA-N 2 2 334.508 3.088 20 0 EGADLP Cn1c[nH+]cc1COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000784883409 1305290060 /nfs/dbraw/zinc/29/00/60/1305290060.db2.gz QVIYNRWFEJXLBU-UHFFFAOYSA-N 2 2 349.434 3.409 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(C)c2C2CC2)CC1 ZINC000893203368 1305761014 /nfs/dbraw/zinc/76/10/14/1305761014.db2.gz ZREMGRQFIQBVOH-OAHLLOKOSA-N 2 2 339.487 3.008 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@]1(C)CCCO1 ZINC000788609346 1305981644 /nfs/dbraw/zinc/98/16/44/1305981644.db2.gz HOOGDMADMREEBR-OXQOHEQNSA-N 2 2 331.504 3.269 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000788754226 1306010254 /nfs/dbraw/zinc/01/02/54/1306010254.db2.gz AFQZBXPSQSVBHT-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000792847713 1309244996 /nfs/dbraw/zinc/24/49/96/1309244996.db2.gz PARVULMAWZFJKL-UHFFFAOYSA-N 2 2 347.503 3.218 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382349 1309514690 /nfs/dbraw/zinc/51/46/90/1309514690.db2.gz HAKDYNCJJNDVOZ-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382349 1309514693 /nfs/dbraw/zinc/51/46/93/1309514693.db2.gz HAKDYNCJJNDVOZ-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382349 1309514699 /nfs/dbraw/zinc/51/46/99/1309514699.db2.gz HAKDYNCJJNDVOZ-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382349 1309514702 /nfs/dbraw/zinc/51/47/02/1309514702.db2.gz HAKDYNCJJNDVOZ-TZMCWYRMSA-N 2 2 326.282 3.149 20 0 EGADLP COCCOc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896196146 1309739049 /nfs/dbraw/zinc/73/90/49/1309739049.db2.gz YCWKZRRNSADKKF-UHFFFAOYSA-N 2 2 341.455 3.183 20 0 EGADLP COc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000897480285 1310348121 /nfs/dbraw/zinc/34/81/21/1310348121.db2.gz VVZSFLULFQEYBZ-INIZCTEOSA-N 2 2 338.879 3.082 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccco1 ZINC000899076098 1310926248 /nfs/dbraw/zinc/92/62/48/1310926248.db2.gz JSQBREDJPDSYTL-MLGOLLRUSA-N 2 2 326.400 3.015 20 0 EGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929321080 1328566650 /nfs/dbraw/zinc/56/66/50/1328566650.db2.gz FTYNAEBMWMYDQP-KRWDZBQOSA-N 2 2 338.411 3.113 20 0 EGADLP CCc1nc(N2CC[NH+](Cc3cccc4cccnc43)CC2)cc(C)[nH+]1 ZINC000804339220 1317220419 /nfs/dbraw/zinc/22/04/19/1317220419.db2.gz ASAVKBANVQBANU-UHFFFAOYSA-N 2 2 347.466 3.218 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019493757 1317277119 /nfs/dbraw/zinc/27/71/19/1317277119.db2.gz MIXQMPUZIQZCBO-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001019493757 1317277126 /nfs/dbraw/zinc/27/71/26/1317277126.db2.gz MIXQMPUZIQZCBO-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(Br)c(C)c2)CC1 ZINC000929781555 1328699560 /nfs/dbraw/zinc/69/95/60/1328699560.db2.gz XHRKATJSNOSZEC-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(Br)c(C)c2)CC1 ZINC000929781555 1328699567 /nfs/dbraw/zinc/69/95/67/1328699567.db2.gz XHRKATJSNOSZEC-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000903106705 1317655107 /nfs/dbraw/zinc/65/51/07/1317655107.db2.gz IYYUVTBZXWAUIM-HNNXBMFYSA-N 2 2 327.428 3.298 20 0 EGADLP c1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc1-c1ccncc1 ZINC000903216632 1317675090 /nfs/dbraw/zinc/67/50/90/1317675090.db2.gz FJAWYAFNUGIGTB-ZXFUBFMLSA-N 2 2 340.496 3.453 20 0 EGADLP c1sc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1-c1ccncc1 ZINC000903216632 1317675093 /nfs/dbraw/zinc/67/50/93/1317675093.db2.gz FJAWYAFNUGIGTB-ZXFUBFMLSA-N 2 2 340.496 3.453 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccsc3)no2)CCC1 ZINC000903816221 1317737513 /nfs/dbraw/zinc/73/75/13/1317737513.db2.gz WPNWOWGRBXIDLM-AWEZNQCLSA-N 2 2 332.473 3.282 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccsc3)no2)CCC1 ZINC000903816221 1317737519 /nfs/dbraw/zinc/73/75/19/1317737519.db2.gz WPNWOWGRBXIDLM-AWEZNQCLSA-N 2 2 332.473 3.282 20 0 EGADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848429 1328719144 /nfs/dbraw/zinc/71/91/44/1328719144.db2.gz SCGUXNUQEJXAAU-OXJNMPFZSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848429 1328719148 /nfs/dbraw/zinc/71/91/48/1328719148.db2.gz SCGUXNUQEJXAAU-OXJNMPFZSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000929848429 1328719150 /nfs/dbraw/zinc/71/91/50/1328719150.db2.gz SCGUXNUQEJXAAU-OXJNMPFZSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848429 1328719153 /nfs/dbraw/zinc/71/91/53/1328719153.db2.gz SCGUXNUQEJXAAU-OXJNMPFZSA-N 2 2 338.499 3.217 20 0 EGADLP Clc1ccc([C@H]2CCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903884199 1317740337 /nfs/dbraw/zinc/74/03/37/1317740337.db2.gz USVFEIFRAKNXTR-FUHWJXTLSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccc([C@H]2CCC[N@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903884199 1317740340 /nfs/dbraw/zinc/74/03/40/1317740340.db2.gz USVFEIFRAKNXTR-FUHWJXTLSA-N 2 2 345.878 3.193 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320962 1317830591 /nfs/dbraw/zinc/83/05/91/1317830591.db2.gz SDWUPRZXHIQVFB-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)C[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320962 1317830598 /nfs/dbraw/zinc/83/05/98/1317830598.db2.gz SDWUPRZXHIQVFB-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)C[C@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320962 1317830607 /nfs/dbraw/zinc/83/06/07/1317830607.db2.gz SDWUPRZXHIQVFB-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320962 1317830621 /nfs/dbraw/zinc/83/06/21/1317830621.db2.gz SDWUPRZXHIQVFB-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420235 1317845019 /nfs/dbraw/zinc/84/50/19/1317845019.db2.gz HZUUXQPSIRNGTE-WCQYABFASA-N 2 2 341.318 3.212 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420235 1317845025 /nfs/dbraw/zinc/84/50/25/1317845025.db2.gz HZUUXQPSIRNGTE-WCQYABFASA-N 2 2 341.318 3.212 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809749980 1317889577 /nfs/dbraw/zinc/88/95/77/1317889577.db2.gz NSQJOQKVGYYZQE-UHFFFAOYSA-N 2 2 336.480 3.202 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809749980 1317889583 /nfs/dbraw/zinc/88/95/83/1317889583.db2.gz NSQJOQKVGYYZQE-UHFFFAOYSA-N 2 2 336.480 3.202 20 0 EGADLP CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960279160 1318441465 /nfs/dbraw/zinc/44/14/65/1318441465.db2.gz SQZLMICTZDRNDD-UYAOXDASSA-N 2 2 348.450 3.204 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603573 1318447958 /nfs/dbraw/zinc/44/79/58/1318447958.db2.gz QOHOKOOKDJJPFN-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603573 1318447963 /nfs/dbraw/zinc/44/79/63/1318447963.db2.gz QOHOKOOKDJJPFN-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603573 1318447968 /nfs/dbraw/zinc/44/79/68/1318447968.db2.gz QOHOKOOKDJJPFN-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603573 1318447970 /nfs/dbraw/zinc/44/79/70/1318447970.db2.gz QOHOKOOKDJJPFN-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644216 1318501418 /nfs/dbraw/zinc/50/14/18/1318501418.db2.gz FIYDBYPYJYVLDC-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644216 1318501426 /nfs/dbraw/zinc/50/14/26/1318501426.db2.gz FIYDBYPYJYVLDC-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)CC1CCCCCC1 ZINC000960668861 1318786779 /nfs/dbraw/zinc/78/67/79/1318786779.db2.gz BEHBPDUQUQTBBD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1)CC1CCCCCC1 ZINC000960668861 1318786788 /nfs/dbraw/zinc/78/67/88/1318786788.db2.gz BEHBPDUQUQTBBD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC000960668861 1318786796 /nfs/dbraw/zinc/78/67/96/1318786796.db2.gz BEHBPDUQUQTBBD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC000960668861 1318786804 /nfs/dbraw/zinc/78/68/04/1318786804.db2.gz BEHBPDUQUQTBBD-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCC1 ZINC000960681958 1318790649 /nfs/dbraw/zinc/79/06/49/1318790649.db2.gz UGXCCRKHOKZOPF-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC1CCCCC1 ZINC000960681958 1318790657 /nfs/dbraw/zinc/79/06/57/1318790657.db2.gz UGXCCRKHOKZOPF-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960681958 1318790666 /nfs/dbraw/zinc/79/06/66/1318790666.db2.gz UGXCCRKHOKZOPF-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960681958 1318790674 /nfs/dbraw/zinc/79/06/74/1318790674.db2.gz UGXCCRKHOKZOPF-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001022286880 1318876624 /nfs/dbraw/zinc/87/66/24/1318876624.db2.gz YBGXCRBRFDTGLA-KZNFOHLHSA-N 2 2 340.471 3.240 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C=C3CCC(C)CC3)CC2)CC1 ZINC000817659686 1319423072 /nfs/dbraw/zinc/42/30/72/1319423072.db2.gz XTVWMYZFSDJNFU-UHFFFAOYSA-N 2 2 347.547 3.142 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C=C3CCC(C)CC3)CC2)CC1 ZINC000817659686 1319423076 /nfs/dbraw/zinc/42/30/76/1319423076.db2.gz XTVWMYZFSDJNFU-UHFFFAOYSA-N 2 2 347.547 3.142 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819077606 1319629603 /nfs/dbraw/zinc/62/96/03/1319629603.db2.gz BLGUPRJJLCDDCR-XJKSGUPXSA-N 2 2 331.287 3.491 20 0 EGADLP O=C(NC1CC(C[NH2+]CC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000961988577 1319794404 /nfs/dbraw/zinc/79/44/04/1319794404.db2.gz RCYBUYVXONVHOL-UHFFFAOYSA-N 2 2 338.455 3.161 20 0 EGADLP CCC1(C[NH2+]c2ccc(OCC[NH+](C)C)cc2OC)CCOCC1 ZINC000840958822 1321186784 /nfs/dbraw/zinc/18/67/84/1321186784.db2.gz OKMOJCUSNYDDJU-UHFFFAOYSA-N 2 2 336.476 3.254 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc(C)c1OCc1ccccn1 ZINC000841035210 1321205370 /nfs/dbraw/zinc/20/53/70/1321205370.db2.gz IWQPEBFMDSSLGN-GOSISDBHSA-N 2 2 325.456 3.119 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000841056692 1321211308 /nfs/dbraw/zinc/21/13/08/1321211308.db2.gz IMNKMFZTUMCAOY-SFHVURJKSA-N 2 2 332.879 3.313 20 0 EGADLP CCc1ccc2c(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc(=O)oc2c1 ZINC000842476278 1321393934 /nfs/dbraw/zinc/39/39/34/1321393934.db2.gz KOVRRBRJMAOKLV-GOSISDBHSA-N 2 2 328.456 3.353 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CCCCC1 ZINC000842476497 1321394492 /nfs/dbraw/zinc/39/44/92/1321394492.db2.gz PURADYUAKOZAPA-LJQANCHMSA-N 2 2 340.467 3.279 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000842838418 1321440326 /nfs/dbraw/zinc/44/03/26/1321440326.db2.gz NUBWSMGGILOYLK-TXPKVOOTSA-N 2 2 332.513 3.239 20 0 EGADLP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000842838418 1321440329 /nfs/dbraw/zinc/44/03/29/1321440329.db2.gz NUBWSMGGILOYLK-TXPKVOOTSA-N 2 2 332.513 3.239 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1nc(Br)cs1 ZINC000844925807 1321659431 /nfs/dbraw/zinc/65/94/31/1321659431.db2.gz VAIBELSJHMAFFK-MRVPVSSYSA-N 2 2 344.253 3.354 20 0 EGADLP COc1cc(F)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000845928458 1321755029 /nfs/dbraw/zinc/75/50/29/1321755029.db2.gz NIRAHQXQSCEHNU-QGZVFWFLSA-N 2 2 335.423 3.244 20 0 EGADLP C[C@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000848565354 1321976821 /nfs/dbraw/zinc/97/68/21/1321976821.db2.gz NXHNTBMDWAUVFE-QGZVFWFLSA-N 2 2 338.499 3.337 20 0 EGADLP COC(=O)/C=C\c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000848898184 1322037890 /nfs/dbraw/zinc/03/78/90/1322037890.db2.gz PYQZXVMKYIROFG-KTKRTIGZSA-N 2 2 346.471 3.353 20 0 EGADLP C[C@@H]1C[NH+]=C(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)N1 ZINC000849051349 1322059211 /nfs/dbraw/zinc/05/92/11/1322059211.db2.gz HOAGQJKXJSLIBB-MRXNPFEDSA-N 2 2 345.450 3.036 20 0 EGADLP CC(C)Oc1ccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)cc1 ZINC000849070899 1322066269 /nfs/dbraw/zinc/06/62/69/1322066269.db2.gz NWEVJAZNTWJVBO-UHFFFAOYSA-N 2 2 327.432 3.307 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2)c1 ZINC000850117958 1322193987 /nfs/dbraw/zinc/19/39/87/1322193987.db2.gz CIJOURLKNUOQMN-ZWKOTPCHSA-N 2 2 328.481 3.368 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2)c1 ZINC000850117958 1322193991 /nfs/dbraw/zinc/19/39/91/1322193991.db2.gz CIJOURLKNUOQMN-ZWKOTPCHSA-N 2 2 328.481 3.368 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(F)F)nc1 ZINC000850433320 1322248718 /nfs/dbraw/zinc/24/87/18/1322248718.db2.gz HXVZZMDRALKWAC-XJKSGUPXSA-N 2 2 339.430 3.313 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491843 1322257717 /nfs/dbraw/zinc/25/77/17/1322257717.db2.gz AGOORHFJNLJOCP-OWCLPIDISA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491843 1322257719 /nfs/dbraw/zinc/25/77/19/1322257719.db2.gz AGOORHFJNLJOCP-OWCLPIDISA-N 2 2 339.524 3.237 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000850557256 1322266077 /nfs/dbraw/zinc/26/60/77/1322266077.db2.gz MZFSOXCDGPPCSW-WMZOPIPTSA-N 2 2 332.488 3.216 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)CCCO2 ZINC000850556366 1322266306 /nfs/dbraw/zinc/26/63/06/1322266306.db2.gz GXICLUSVHDVDHH-UXHICEINSA-N 2 2 344.499 3.306 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521869 1322768891 /nfs/dbraw/zinc/76/88/91/1322768891.db2.gz XOACUUHSPUFKCL-YTQUADARSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521869 1322768894 /nfs/dbraw/zinc/76/88/94/1322768894.db2.gz XOACUUHSPUFKCL-YTQUADARSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)c2ncnn21 ZINC000924603097 1323070983 /nfs/dbraw/zinc/07/09/83/1323070983.db2.gz FMYJXLONTJJPLX-LPHOPBHVSA-N 2 2 339.487 3.306 20 0 EGADLP CC[N@@H+](Cc1cccc(F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000851791760 1323090421 /nfs/dbraw/zinc/09/04/21/1323090421.db2.gz CZJKDIAVKCGKIS-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP CC[N@H+](Cc1cccc(F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000851791760 1323090428 /nfs/dbraw/zinc/09/04/28/1323090428.db2.gz CZJKDIAVKCGKIS-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C(C)(C)O)cc1 ZINC000924645725 1323090509 /nfs/dbraw/zinc/09/05/09/1323090509.db2.gz MIIXGYDDSDXJMH-OAHLLOKOSA-N 2 2 327.472 3.340 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668034 1323103921 /nfs/dbraw/zinc/10/39/21/1323103921.db2.gz CHFRSFBNANMSMR-GPMSIDNRSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c2ncnn21 ZINC000924668034 1323103925 /nfs/dbraw/zinc/10/39/25/1323103925.db2.gz CHFRSFBNANMSMR-GPMSIDNRSA-N 2 2 339.487 3.448 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cc(CO)on1 ZINC000924673792 1323106422 /nfs/dbraw/zinc/10/64/22/1323106422.db2.gz YGSDYIRPKSTMEM-JKSUJKDBSA-N 2 2 343.471 3.392 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cc(CO)on1 ZINC000924673792 1323106427 /nfs/dbraw/zinc/10/64/27/1323106427.db2.gz YGSDYIRPKSTMEM-JKSUJKDBSA-N 2 2 343.471 3.392 20 0 EGADLP OCCC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924778308 1323159212 /nfs/dbraw/zinc/15/92/12/1323159212.db2.gz VUJNMQCVAFSLKQ-SJLPKXTDSA-N 2 2 331.435 3.432 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085173 1323274220 /nfs/dbraw/zinc/27/42/20/1323274220.db2.gz FRCRDRJPURPJLT-OHESCVLLSA-N 2 2 343.515 3.229 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085173 1323274228 /nfs/dbraw/zinc/27/42/28/1323274228.db2.gz FRCRDRJPURPJLT-OHESCVLLSA-N 2 2 343.515 3.229 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@@H+]3CCC3CC3)ccn12 ZINC001024440936 1323403995 /nfs/dbraw/zinc/40/39/95/1323403995.db2.gz VQUUKSXBUJBJSK-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@H+]3CCC3CC3)ccn12 ZINC001024440936 1323403998 /nfs/dbraw/zinc/40/39/98/1323403998.db2.gz VQUUKSXBUJBJSK-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931433089 1329116884 /nfs/dbraw/zinc/11/68/84/1329116884.db2.gz OUMDMDXSRVZEAZ-RYQLBKOJSA-N 2 2 329.488 3.022 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931433089 1329116886 /nfs/dbraw/zinc/11/68/86/1329116886.db2.gz OUMDMDXSRVZEAZ-RYQLBKOJSA-N 2 2 329.488 3.022 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000931433089 1329116892 /nfs/dbraw/zinc/11/68/92/1329116892.db2.gz OUMDMDXSRVZEAZ-RYQLBKOJSA-N 2 2 329.488 3.022 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931433089 1329116896 /nfs/dbraw/zinc/11/68/96/1329116896.db2.gz OUMDMDXSRVZEAZ-RYQLBKOJSA-N 2 2 329.488 3.022 20 0 EGADLP C[C@H](CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)n1cc[nH+]c1 ZINC001025103525 1323897085 /nfs/dbraw/zinc/89/70/85/1323897085.db2.gz XGFRZEKDBSXIIC-NVXWUHKLSA-N 2 2 346.500 3.067 20 0 EGADLP C[NH+](C)CC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000931479954 1329127413 /nfs/dbraw/zinc/12/74/13/1329127413.db2.gz HYRLOXVKTXOVHU-UHFFFAOYSA-N 2 2 335.250 3.021 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305212 1324139249 /nfs/dbraw/zinc/13/92/49/1324139249.db2.gz USMLWYRHGSIKDK-QZTJIDSGSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305212 1324139251 /nfs/dbraw/zinc/13/92/51/1324139251.db2.gz USMLWYRHGSIKDK-QZTJIDSGSA-N 2 2 346.519 3.165 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001026963308 1325110496 /nfs/dbraw/zinc/11/04/96/1325110496.db2.gz JEBMNRKZXKNLFW-LJQANCHMSA-N 2 2 337.467 3.259 20 0 EGADLP CCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1OC ZINC000925562478 1325210762 /nfs/dbraw/zinc/21/07/62/1325210762.db2.gz WZMSWJQIQAWKDX-JKNDIDBPSA-N 2 2 330.472 3.131 20 0 EGADLP c1coc(COCc2cccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c2)c1 ZINC000925607526 1325230393 /nfs/dbraw/zinc/23/03/93/1325230393.db2.gz VQTKFEZTNVPOJB-UGKANONSSA-N 2 2 338.451 3.082 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000925790788 1325301870 /nfs/dbraw/zinc/30/18/70/1325301870.db2.gz IWYFWHMOIDMIBU-YJBOKZPZSA-N 2 2 338.442 3.410 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387961 1325587994 /nfs/dbraw/zinc/58/79/94/1325587994.db2.gz HZLMPHCKUVZLEW-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387961 1325587998 /nfs/dbraw/zinc/58/79/98/1325587998.db2.gz HZLMPHCKUVZLEW-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000926778788 1327712621 /nfs/dbraw/zinc/71/26/21/1327712621.db2.gz SCEJKQMDWNFKBF-VYDXJSESSA-N 2 2 329.444 3.102 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000926778788 1327712634 /nfs/dbraw/zinc/71/26/34/1327712634.db2.gz SCEJKQMDWNFKBF-VYDXJSESSA-N 2 2 329.444 3.102 20 0 EGADLP CC1(c2ccc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)OCCO1 ZINC000926780009 1327712899 /nfs/dbraw/zinc/71/28/99/1327712899.db2.gz XVAGNZUHWKPTQS-OALUTQOASA-N 2 2 330.472 3.013 20 0 EGADLP CC1(c2ccc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)OCCO1 ZINC000926780009 1327712906 /nfs/dbraw/zinc/71/29/06/1327712906.db2.gz XVAGNZUHWKPTQS-OALUTQOASA-N 2 2 330.472 3.013 20 0 EGADLP C[N@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594263 1327938752 /nfs/dbraw/zinc/93/87/52/1327938752.db2.gz GQBJZYIKENUHPG-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594263 1327938757 /nfs/dbraw/zinc/93/87/57/1327938757.db2.gz GQBJZYIKENUHPG-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597674 1327950855 /nfs/dbraw/zinc/95/08/55/1327950855.db2.gz IVZSVNJRASREFR-MJGOQNOKSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001027597674 1327950860 /nfs/dbraw/zinc/95/08/60/1327950860.db2.gz IVZSVNJRASREFR-MJGOQNOKSA-N 2 2 344.503 3.257 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nn1 ZINC000865460860 1329700356 /nfs/dbraw/zinc/70/03/56/1329700356.db2.gz VSXDKHBMVGZUSJ-UHFFFAOYSA-N 2 2 341.503 3.354 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000935172507 1330033091 /nfs/dbraw/zinc/03/30/91/1330033091.db2.gz SUGVCUZLTNGGIC-CVEARBPZSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000935172507 1330033092 /nfs/dbraw/zinc/03/30/92/1330033092.db2.gz SUGVCUZLTNGGIC-CVEARBPZSA-N 2 2 348.450 3.298 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288013 1330041759 /nfs/dbraw/zinc/04/17/59/1330041759.db2.gz SEXUTHUOLCDYPA-RDJZCZTQSA-N 2 2 348.450 3.203 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935288013 1330041761 /nfs/dbraw/zinc/04/17/61/1330041761.db2.gz SEXUTHUOLCDYPA-RDJZCZTQSA-N 2 2 348.450 3.203 20 0 EGADLP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000935698505 1330072926 /nfs/dbraw/zinc/07/29/26/1330072926.db2.gz NUSKSDHOOUKHCQ-OAHLLOKOSA-N 2 2 346.519 3.209 20 0 EGADLP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000935698505 1330072929 /nfs/dbraw/zinc/07/29/29/1330072929.db2.gz NUSKSDHOOUKHCQ-OAHLLOKOSA-N 2 2 346.519 3.209 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702275 1330142498 /nfs/dbraw/zinc/14/24/98/1330142498.db2.gz ADBQGPHXGDKESN-MGPUTAFESA-N 2 2 347.503 3.028 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702275 1330142500 /nfs/dbraw/zinc/14/25/00/1330142500.db2.gz ADBQGPHXGDKESN-MGPUTAFESA-N 2 2 347.503 3.028 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCC1CCCCCC1 ZINC000947863137 1333283910 /nfs/dbraw/zinc/28/39/10/1333283910.db2.gz XBTVQVFZRFTZSX-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCC1CCCCCC1 ZINC000947863137 1333283915 /nfs/dbraw/zinc/28/39/15/1333283915.db2.gz XBTVQVFZRFTZSX-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000948090909 1333372662 /nfs/dbraw/zinc/37/26/62/1333372662.db2.gz QOCFINTXDYCUAB-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948090909 1333372665 /nfs/dbraw/zinc/37/26/65/1333372665.db2.gz QOCFINTXDYCUAB-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP CCN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CCC(C)C)C1 ZINC000950447392 1334071924 /nfs/dbraw/zinc/07/19/24/1334071924.db2.gz KVSSJIXSISDJTI-UHFFFAOYSA-N 2 2 337.533 3.002 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000950627889 1334098874 /nfs/dbraw/zinc/09/88/74/1334098874.db2.gz NMOZZHNWQYHPMS-UHFFFAOYSA-N 2 2 340.471 3.145 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444235 1334460597 /nfs/dbraw/zinc/46/05/97/1334460597.db2.gz KJHKHLQULFIOIG-ICSRJNTNSA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444235 1334460599 /nfs/dbraw/zinc/46/05/99/1334460599.db2.gz KJHKHLQULFIOIG-ICSRJNTNSA-N 2 2 345.531 3.036 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494683 1335758746 /nfs/dbraw/zinc/75/87/46/1335758746.db2.gz IKOBVIGTTQTNQT-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000967494683 1335758751 /nfs/dbraw/zinc/75/87/51/1335758751.db2.gz IKOBVIGTTQTNQT-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1C ZINC000968596267 1335977639 /nfs/dbraw/zinc/97/76/39/1335977639.db2.gz ILQULJMIXOIWQL-HNAYVOBHSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@@H]1C ZINC000968596267 1335977643 /nfs/dbraw/zinc/97/76/43/1335977643.db2.gz ILQULJMIXOIWQL-HNAYVOBHSA-N 2 2 346.519 3.058 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001006065016 1336445567 /nfs/dbraw/zinc/44/55/67/1336445567.db2.gz MKJGOUMQLZQZDQ-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938573 1337958870 /nfs/dbraw/zinc/95/88/70/1337958870.db2.gz VCDIWIWAQJUVMV-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014938573 1337958873 /nfs/dbraw/zinc/95/88/73/1337958873.db2.gz VCDIWIWAQJUVMV-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940707 1337961344 /nfs/dbraw/zinc/96/13/44/1337961344.db2.gz LOSNNOLLLGZEDV-OXQOHEQNSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(N[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940707 1337961348 /nfs/dbraw/zinc/96/13/48/1337961348.db2.gz LOSNNOLLLGZEDV-OXQOHEQNSA-N 2 2 346.434 3.055 20 0 EGADLP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001017653900 1339384138 /nfs/dbraw/zinc/38/41/38/1339384138.db2.gz WOMQIJLPVITXLC-HDICACEKSA-N 2 2 346.519 3.038 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001017653900 1339384140 /nfs/dbraw/zinc/38/41/40/1339384140.db2.gz WOMQIJLPVITXLC-HDICACEKSA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018026216 1339484655 /nfs/dbraw/zinc/48/46/55/1339484655.db2.gz ZGIXREOTWSYCBL-HDICACEKSA-N 2 2 344.503 3.038 20 0 EGADLP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018026216 1339484657 /nfs/dbraw/zinc/48/46/57/1339484657.db2.gz ZGIXREOTWSYCBL-HDICACEKSA-N 2 2 344.503 3.038 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239329 1340500244 /nfs/dbraw/zinc/50/02/44/1340500244.db2.gz KDGMAEUSHRDMIZ-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239329 1340500247 /nfs/dbraw/zinc/50/02/47/1340500247.db2.gz KDGMAEUSHRDMIZ-LPHOPBHVSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001028632282 1340734943 /nfs/dbraw/zinc/73/49/43/1340734943.db2.gz FTSGUWKQOMCYNN-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001028632282 1340734944 /nfs/dbraw/zinc/73/49/44/1340734944.db2.gz FTSGUWKQOMCYNN-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686834 1340758605 /nfs/dbraw/zinc/75/86/05/1340758605.db2.gz DDCSRCCEJBACFT-IRXDYDNUSA-N 2 2 348.450 3.147 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686834 1340758607 /nfs/dbraw/zinc/75/86/07/1340758607.db2.gz DDCSRCCEJBACFT-IRXDYDNUSA-N 2 2 348.450 3.147 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001029788783 1341073529 /nfs/dbraw/zinc/07/35/29/1341073529.db2.gz FEZXNGGVZXQFKY-PJOPYLDSSA-N 2 2 343.515 3.447 20 0 EGADLP 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ZINC001053027560 1348825687 /nfs/dbraw/zinc/82/56/87/1348825687.db2.gz DSKFDMUQZPUMQG-ZWKOTPCHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001053027560 1348825690 /nfs/dbraw/zinc/82/56/90/1348825690.db2.gz DSKFDMUQZPUMQG-ZWKOTPCHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053027560 1348825696 /nfs/dbraw/zinc/82/56/96/1348825696.db2.gz DSKFDMUQZPUMQG-ZWKOTPCHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001053027560 1348825698 /nfs/dbraw/zinc/82/56/98/1348825698.db2.gz DSKFDMUQZPUMQG-ZWKOTPCHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092506 1348919669 /nfs/dbraw/zinc/91/96/69/1348919669.db2.gz HFGVQRFPHAAITM-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001053092506 1348919671 /nfs/dbraw/zinc/91/96/71/1348919671.db2.gz HFGVQRFPHAAITM-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](C)[N@@H+](CCC4CC4)C3)ccn12 ZINC001071510843 1354734970 /nfs/dbraw/zinc/73/49/70/1354734970.db2.gz GTMASMQNTREKCH-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[C@@H](C)[N@H+](CCC4CC4)C3)ccn12 ZINC001071510843 1354734975 /nfs/dbraw/zinc/73/49/75/1354734975.db2.gz GTMASMQNTREKCH-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001072123009 1355142140 /nfs/dbraw/zinc/14/21/40/1355142140.db2.gz NEVKOYZXOPKGFX-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001072123009 1355142142 /nfs/dbraw/zinc/14/21/42/1355142142.db2.gz NEVKOYZXOPKGFX-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107374 1363626316 /nfs/dbraw/zinc/62/63/16/1363626316.db2.gz YPZVIUHNBIAUFR-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099107374 1363626318 /nfs/dbraw/zinc/62/63/18/1363626318.db2.gz YPZVIUHNBIAUFR-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107374 1363626322 /nfs/dbraw/zinc/62/63/22/1363626322.db2.gz YPZVIUHNBIAUFR-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099107374 1363626325 /nfs/dbraw/zinc/62/63/25/1363626325.db2.gz YPZVIUHNBIAUFR-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1)n1cc[nH+]c1 ZINC001082771890 1358089854 /nfs/dbraw/zinc/08/98/54/1358089854.db2.gz WLFVYJIFFUQFHZ-ZHALLVOQSA-N 2 2 344.503 3.161 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)c[nH+]1 ZINC001183563159 1387319360 /nfs/dbraw/zinc/31/93/60/1387319360.db2.gz UWTPOVJLBZOJBY-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001084972198 1358357585 /nfs/dbraw/zinc/35/75/85/1358357585.db2.gz RFPQKNRNKCSMDR-KHYOSLBOSA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001084972198 1358357588 /nfs/dbraw/zinc/35/75/88/1358357588.db2.gz RFPQKNRNKCSMDR-KHYOSLBOSA-N 2 2 340.471 3.145 20 0 EGADLP CC1(C)CCC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001085374985 1358481742 /nfs/dbraw/zinc/48/17/42/1358481742.db2.gz UJGHPOYCAGMVBX-IAGOWNOFSA-N 2 2 346.519 3.186 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672963 1358676775 /nfs/dbraw/zinc/67/67/75/1358676775.db2.gz MCIVYKKDQGTZRP-MRXNPFEDSA-N 2 2 340.471 3.145 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CC(C)(C)C1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672963 1358676784 /nfs/dbraw/zinc/67/67/84/1358676784.db2.gz MCIVYKKDQGTZRP-MRXNPFEDSA-N 2 2 340.471 3.145 20 0 EGADLP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946127 1359267368 /nfs/dbraw/zinc/26/73/68/1359267368.db2.gz QQGJPNKITWYGMH-ROUUACIJSA-N 2 2 346.519 3.337 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782507 1359641863 /nfs/dbraw/zinc/64/18/63/1359641863.db2.gz YWSHGSQFORRXDR-RBUKOAKNSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1CC ZINC001087782507 1359641866 /nfs/dbraw/zinc/64/18/66/1359641866.db2.gz YWSHGSQFORRXDR-RBUKOAKNSA-N 2 2 340.471 3.255 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660746 1387505609 /nfs/dbraw/zinc/50/56/09/1387505609.db2.gz VYYQQTXOVJVEAE-OAJJDEHYSA-N 2 2 338.455 3.033 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCCF)[C@@H](C)C2)c(C)[nH+]1 ZINC001184851061 1387549203 /nfs/dbraw/zinc/54/92/03/1387549203.db2.gz JIJUYARFAIJGJJ-YOEHRIQHSA-N 2 2 335.467 3.054 20 0 EGADLP CC(C)CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099166515 1363665720 /nfs/dbraw/zinc/66/57/20/1363665720.db2.gz WKQAPYWHDNSDDR-GOSISDBHSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099166515 1363665722 /nfs/dbraw/zinc/66/57/22/1363665722.db2.gz WKQAPYWHDNSDDR-GOSISDBHSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165643 1363666242 /nfs/dbraw/zinc/66/62/42/1363666242.db2.gz OGUZQPGLXLOLML-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099165643 1363666247 /nfs/dbraw/zinc/66/62/47/1363666247.db2.gz OGUZQPGLXLOLML-KRWDZBQOSA-N 2 2 348.535 3.316 20 0 EGADLP CC(C)CCC[NH2+]C1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428694 1364110420 /nfs/dbraw/zinc/11/04/20/1364110420.db2.gz HIDSTDFIHMTPRM-CTWPCTMYSA-N 2 2 348.535 3.391 20 0 EGADLP CCC(CC)C[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445948 1364117512 /nfs/dbraw/zinc/11/75/12/1364117512.db2.gz HJWUOGTXGICKNZ-UHFFFAOYSA-N 2 2 328.460 3.097 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446000 1364117635 /nfs/dbraw/zinc/11/76/35/1364117635.db2.gz KEYNLEURZTUFOI-SNAWJCMRSA-N 2 2 340.471 3.407 20 0 EGADLP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536446 1364605011 /nfs/dbraw/zinc/60/50/11/1364605011.db2.gz ITKSZQQOCOHRQD-UHFFFAOYSA-N 2 2 346.519 3.163 20 0 EGADLP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327277 1365979924 /nfs/dbraw/zinc/97/99/24/1365979924.db2.gz GCQXBFUZNMYGPK-GUDVDZBRSA-N 2 2 348.535 3.345 20 0 EGADLP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001105542675 1366520623 /nfs/dbraw/zinc/52/06/23/1366520623.db2.gz ZJFAITNBJJOHTK-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001105542675 1366520625 /nfs/dbraw/zinc/52/06/25/1366520625.db2.gz ZJFAITNBJJOHTK-SFHVURJKSA-N 2 2 346.519 3.283 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567917 1366535716 /nfs/dbraw/zinc/53/57/16/1366535716.db2.gz AONXBZPZVPTTFM-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567917 1366535721 /nfs/dbraw/zinc/53/57/21/1366535721.db2.gz AONXBZPZVPTTFM-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455318 1366701160 /nfs/dbraw/zinc/70/11/60/1366701160.db2.gz MRKVRBZTTHNPGO-KBRIMQKVSA-N 2 2 335.467 3.053 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001107076253 1366870917 /nfs/dbraw/zinc/87/09/17/1366870917.db2.gz MPHGNMIMMWTJGB-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001109386159 1367098966 /nfs/dbraw/zinc/09/89/66/1367098966.db2.gz OFFCQUYZSRRMRE-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001109386159 1367098975 /nfs/dbraw/zinc/09/89/75/1367098975.db2.gz OFFCQUYZSRRMRE-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001109386159 1367098980 /nfs/dbraw/zinc/09/89/80/1367098980.db2.gz OFFCQUYZSRRMRE-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001109386159 1367098984 /nfs/dbraw/zinc/09/89/84/1367098984.db2.gz OFFCQUYZSRRMRE-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP CCC(CC)C[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934582 1367384863 /nfs/dbraw/zinc/38/48/63/1367384863.db2.gz PKYMKAHPLSAWAM-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190934582 1367384866 /nfs/dbraw/zinc/38/48/66/1367384866.db2.gz PKYMKAHPLSAWAM-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932846 1367385587 /nfs/dbraw/zinc/38/55/87/1367385587.db2.gz DQEDBNSIMVCTKC-DWTRPJMMSA-N 2 2 326.444 3.066 20 0 EGADLP CC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932846 1367385600 /nfs/dbraw/zinc/38/56/00/1367385600.db2.gz DQEDBNSIMVCTKC-DWTRPJMMSA-N 2 2 326.444 3.066 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933545 1367385657 /nfs/dbraw/zinc/38/56/57/1367385657.db2.gz JNAZJLJVQANDHC-KEGWNNHHSA-N 2 2 340.471 3.456 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933545 1367385663 /nfs/dbraw/zinc/38/56/63/1367385663.db2.gz JNAZJLJVQANDHC-KEGWNNHHSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321486 1367476219 /nfs/dbraw/zinc/47/62/19/1367476219.db2.gz VTLJMSJHMYUHNB-IAGOWNOFSA-N 2 2 342.487 3.163 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321486 1367476223 /nfs/dbraw/zinc/47/62/23/1367476223.db2.gz VTLJMSJHMYUHNB-IAGOWNOFSA-N 2 2 342.487 3.163 20 0 EGADLP CCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587143 1367535479 /nfs/dbraw/zinc/53/54/79/1367535479.db2.gz QMLVTSJUTJSORU-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001191587143 1367535484 /nfs/dbraw/zinc/53/54/84/1367535484.db2.gz QMLVTSJUTJSORU-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834436 1367627379 /nfs/dbraw/zinc/62/73/79/1367627379.db2.gz OGPFXADYXUTNSI-OTWHNJEPSA-N 2 2 346.519 3.069 20 0 EGADLP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001110686331 1367928003 /nfs/dbraw/zinc/92/80/03/1367928003.db2.gz UFWKRCCPLYAIDN-HBPKQKSZSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001110686331 1367928009 /nfs/dbraw/zinc/92/80/09/1367928009.db2.gz UFWKRCCPLYAIDN-HBPKQKSZSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001110686331 1367928013 /nfs/dbraw/zinc/92/80/13/1367928013.db2.gz UFWKRCCPLYAIDN-HBPKQKSZSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001110686331 1367928017 /nfs/dbraw/zinc/92/80/17/1367928017.db2.gz UFWKRCCPLYAIDN-HBPKQKSZSA-N 2 2 344.503 3.061 20 0 EGADLP CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193221051 1367970248 /nfs/dbraw/zinc/97/02/48/1367970248.db2.gz YNCQQTWJMBCWBC-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001193221051 1367970250 /nfs/dbraw/zinc/97/02/50/1367970250.db2.gz YNCQQTWJMBCWBC-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001112503522 1368903303 /nfs/dbraw/zinc/90/33/03/1368903303.db2.gz VNMBZXJPKPWZTD-ICSRJNTNSA-N 2 2 346.519 3.072 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC001325435817 1387971782 /nfs/dbraw/zinc/97/17/82/1387971782.db2.gz WTFXIYDHKYGVPI-IRXDYDNUSA-N 2 2 325.456 3.241 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC001325435817 1387971784 /nfs/dbraw/zinc/97/17/84/1387971784.db2.gz WTFXIYDHKYGVPI-IRXDYDNUSA-N 2 2 325.456 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)n1cc[nH+]c1 ZINC001112991090 1369126043 /nfs/dbraw/zinc/12/60/43/1369126043.db2.gz DUDNOLPHVBVRIS-IBGZPJMESA-N 2 2 346.519 3.195 20 0 EGADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1c[nH+]ccc1N1CCCC1 ZINC001199369427 1369214766 /nfs/dbraw/zinc/21/47/66/1369214766.db2.gz HNFVZXNWVIRSRE-UHFFFAOYSA-N 2 2 347.422 3.179 20 0 EGADLP CCc1cccc(C[NH+]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)c1 ZINC001113336450 1369357681 /nfs/dbraw/zinc/35/76/81/1369357681.db2.gz CBCDDNUXOZOGCS-FQEVSTJZSA-N 2 2 345.531 3.014 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560271 1369576844 /nfs/dbraw/zinc/57/68/44/1369576844.db2.gz QVBUQTRGFOEMFS-VQTJNVASSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001201560271 1369576850 /nfs/dbraw/zinc/57/68/50/1369576850.db2.gz QVBUQTRGFOEMFS-VQTJNVASSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001201560271 1369576854 /nfs/dbraw/zinc/57/68/54/1369576854.db2.gz QVBUQTRGFOEMFS-VQTJNVASSA-N 2 2 340.552 3.264 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001201560271 1369576858 /nfs/dbraw/zinc/57/68/58/1369576858.db2.gz QVBUQTRGFOEMFS-VQTJNVASSA-N 2 2 340.552 3.264 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1ccccc1)CC2 ZINC001201596257 1369585314 /nfs/dbraw/zinc/58/53/14/1369585314.db2.gz BKIRRAKZHLAFIZ-UHFFFAOYSA-N 2 2 326.488 3.126 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1ccccc1)CC2 ZINC001201596257 1369585316 /nfs/dbraw/zinc/58/53/16/1369585316.db2.gz BKIRRAKZHLAFIZ-UHFFFAOYSA-N 2 2 326.488 3.126 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)[C@@H]1CCOC1 ZINC001202176824 1369708143 /nfs/dbraw/zinc/70/81/43/1369708143.db2.gz ZHEHHRXAUOLSGO-GOEBONIOSA-N 2 2 349.862 3.130 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203011842 1369953468 /nfs/dbraw/zinc/95/34/68/1369953468.db2.gz BVMNEUCAOSEBLM-IRXDYDNUSA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203011842 1369953470 /nfs/dbraw/zinc/95/34/70/1369953470.db2.gz BVMNEUCAOSEBLM-IRXDYDNUSA-N 2 2 346.519 3.186 20 0 EGADLP CCCC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190951 1370017489 /nfs/dbraw/zinc/01/74/89/1370017489.db2.gz BQBBTBQXMIFWJE-IRXDYDNUSA-N 2 2 329.488 3.438 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc(C)c[nH+]c1C ZINC001203661615 1370206697 /nfs/dbraw/zinc/20/66/97/1370206697.db2.gz XLMQPGMJEBKVMY-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP COc1cc(Nc2cc(C)c[nH+]c2C)ccc1N1CC[NH+](C)CC1 ZINC001203668008 1370209727 /nfs/dbraw/zinc/20/97/27/1370209727.db2.gz STUJJAJLEPIBJS-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP COc1cc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1C ZINC001203760267 1370253157 /nfs/dbraw/zinc/25/31/57/1370253157.db2.gz NQJDGANWZSKJNY-UHFFFAOYSA-N 2 2 340.471 3.041 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203961093 1370332720 /nfs/dbraw/zinc/33/27/20/1370332720.db2.gz ATLHZFYZMKVUJL-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203961093 1370332726 /nfs/dbraw/zinc/33/27/26/1370332726.db2.gz ATLHZFYZMKVUJL-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203961093 1370332729 /nfs/dbraw/zinc/33/27/29/1370332729.db2.gz ATLHZFYZMKVUJL-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001203961093 1370332732 /nfs/dbraw/zinc/33/27/32/1370332732.db2.gz ATLHZFYZMKVUJL-BGYRXZFFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CCOCC2)ccc1-c1ccc(C[NH+](C)C)cc1 ZINC001204661059 1370538657 /nfs/dbraw/zinc/53/86/57/1370538657.db2.gz QKBAGBAQXTVOOO-UHFFFAOYSA-N 2 2 340.467 3.256 20 0 EGADLP Cn1c2ccccc2[nH+]c1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001204725509 1370555357 /nfs/dbraw/zinc/55/53/57/1370555357.db2.gz ZRHREVPDEWQHSP-UHFFFAOYSA-N 2 2 335.455 3.064 20 0 EGADLP Cn1c2ccccc2[nH+]c1Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001204725509 1370555360 /nfs/dbraw/zinc/55/53/60/1370555360.db2.gz ZRHREVPDEWQHSP-UHFFFAOYSA-N 2 2 335.455 3.064 20 0 EGADLP CC1(C)CC(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCCC2)C1 ZINC001115567010 1370567059 /nfs/dbraw/zinc/56/70/59/1370567059.db2.gz JVGOSOVTRZJDNT-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP CC1(C)CC(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCCC2)C1 ZINC001115567010 1370567062 /nfs/dbraw/zinc/56/70/62/1370567062.db2.gz JVGOSOVTRZJDNT-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP FC1(C[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)CC[NH2+]CC1 ZINC001204757180 1370568383 /nfs/dbraw/zinc/56/83/83/1370568383.db2.gz WAQABHBOEJXTNE-UHFFFAOYSA-N 2 2 346.277 3.207 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001115602447 1370601991 /nfs/dbraw/zinc/60/19/91/1370601991.db2.gz BAUZTPLQHZVLQK-KRWDZBQOSA-N 2 2 346.519 3.044 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001204969185 1370617598 /nfs/dbraw/zinc/61/75/98/1370617598.db2.gz URAGNYCAFYWZJH-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001204969185 1370617603 /nfs/dbraw/zinc/61/76/03/1370617603.db2.gz URAGNYCAFYWZJH-FUHWJXTLSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc(Br)n2)cc1 ZINC001205182961 1370673308 /nfs/dbraw/zinc/67/33/08/1370673308.db2.gz STHIXDAOTKFYAK-IUODEOHRSA-N 2 2 346.272 3.433 20 0 EGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc(Br)n2)cc1 ZINC001205182961 1370673311 /nfs/dbraw/zinc/67/33/11/1370673311.db2.gz STHIXDAOTKFYAK-IUODEOHRSA-N 2 2 346.272 3.433 20 0 EGADLP CCOC(=[NH2+])c1ccc(-c2ccc(OCCC[NH+](C)C)nc2)cc1 ZINC001205247599 1370694553 /nfs/dbraw/zinc/69/45/53/1370694553.db2.gz AUONSGFXWVJCQD-UHFFFAOYSA-N 2 2 327.428 3.441 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205317197 1370719173 /nfs/dbraw/zinc/71/91/73/1370719173.db2.gz NIUQTJZZOYFODJ-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205317197 1370719175 /nfs/dbraw/zinc/71/91/75/1370719175.db2.gz NIUQTJZZOYFODJ-TZMCWYRMSA-N 2 2 341.293 3.265 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205319301 1370720864 /nfs/dbraw/zinc/72/08/64/1370720864.db2.gz YUSXIAZAYYNJQI-TZMCWYRMSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205319301 1370720869 /nfs/dbraw/zinc/72/08/69/1370720869.db2.gz YUSXIAZAYYNJQI-TZMCWYRMSA-N 2 2 341.293 3.183 20 0 EGADLP C[N@H+](C[C@H]1C[NH2+]CCO1)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205377180 1370735641 /nfs/dbraw/zinc/73/56/41/1370735641.db2.gz SWILCIDLZTXYHV-CQSZACIVSA-N 2 2 328.909 3.131 20 0 EGADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)CC(C)(C)Sc1ccc(Cl)cc1 ZINC001205377180 1370735644 /nfs/dbraw/zinc/73/56/44/1370735644.db2.gz SWILCIDLZTXYHV-CQSZACIVSA-N 2 2 328.909 3.131 20 0 EGADLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001205578438 1370797422 /nfs/dbraw/zinc/79/74/22/1370797422.db2.gz BYFDPGRUEFOIIV-KRWDZBQOSA-N 3 2 336.842 3.179 20 0 EGADLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001205578438 1370797428 /nfs/dbraw/zinc/79/74/28/1370797428.db2.gz BYFDPGRUEFOIIV-KRWDZBQOSA-N 3 2 336.842 3.179 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001205623990 1370814688 /nfs/dbraw/zinc/81/46/88/1370814688.db2.gz MYECGHAGAUFVTB-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001205623990 1370814707 /nfs/dbraw/zinc/81/47/07/1370814707.db2.gz MYECGHAGAUFVTB-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001205623990 1370814712 /nfs/dbraw/zinc/81/47/12/1370814712.db2.gz MYECGHAGAUFVTB-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001205623990 1370814715 /nfs/dbraw/zinc/81/47/15/1370814715.db2.gz MYECGHAGAUFVTB-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205635418 1370821025 /nfs/dbraw/zinc/82/10/25/1370821025.db2.gz AEZQWHOZVKVLAT-CMPLNLGQSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205635418 1370821028 /nfs/dbraw/zinc/82/10/28/1370821028.db2.gz AEZQWHOZVKVLAT-CMPLNLGQSA-N 2 2 345.256 3.101 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1cc(C)cc(C)c1 ZINC001116070742 1370830888 /nfs/dbraw/zinc/83/08/88/1370830888.db2.gz BALLVYSGTGUKNI-UHFFFAOYSA-N 2 2 336.395 3.210 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cs1 ZINC001325993624 1388099818 /nfs/dbraw/zinc/09/98/18/1388099818.db2.gz ALERXSIGWIVOTR-OAHLLOKOSA-N 2 2 345.468 3.315 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cs1 ZINC001325993624 1388099819 /nfs/dbraw/zinc/09/98/19/1388099819.db2.gz ALERXSIGWIVOTR-OAHLLOKOSA-N 2 2 345.468 3.315 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205856431 1370893416 /nfs/dbraw/zinc/89/34/16/1370893416.db2.gz VRQRJAGTTUDKLH-DNVCBOLYSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205856431 1370893420 /nfs/dbraw/zinc/89/34/20/1370893420.db2.gz VRQRJAGTTUDKLH-DNVCBOLYSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205856432 1370893936 /nfs/dbraw/zinc/89/39/36/1370893936.db2.gz VRQRJAGTTUDKLH-HNAYVOBHSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205856432 1370893938 /nfs/dbraw/zinc/89/39/38/1370893938.db2.gz VRQRJAGTTUDKLH-HNAYVOBHSA-N 2 2 325.456 3.316 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1O ZINC001205915271 1370909518 /nfs/dbraw/zinc/90/95/18/1370909518.db2.gz PASQZNDSGUXXFF-NEPJUHHUSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1O ZINC001205915271 1370909520 /nfs/dbraw/zinc/90/95/20/1370909520.db2.gz PASQZNDSGUXXFF-NEPJUHHUSA-N 2 2 327.266 3.022 20 0 EGADLP CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116637126 1370949844 /nfs/dbraw/zinc/94/98/44/1370949844.db2.gz MEHWLZJUWXCALD-YJBOKZPZSA-N 2 2 342.443 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@H]1F ZINC001206185336 1370985962 /nfs/dbraw/zinc/98/59/62/1370985962.db2.gz MUASQLWHMNFCJC-VXGBXAGGSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@H]1F ZINC001206185336 1370985967 /nfs/dbraw/zinc/98/59/67/1370985967.db2.gz MUASQLWHMNFCJC-VXGBXAGGSA-N 2 2 340.748 3.500 20 0 EGADLP Cn1cnc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213512 1370995027 /nfs/dbraw/zinc/99/50/27/1370995027.db2.gz IKGQNTQAXNUNSG-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[N@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213512 1370995028 /nfs/dbraw/zinc/99/50/28/1370995028.db2.gz IKGQNTQAXNUNSG-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213512 1370995034 /nfs/dbraw/zinc/99/50/34/1370995034.db2.gz IKGQNTQAXNUNSG-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP Cn1cnc(C[NH+]2C[C@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)c1 ZINC001206213512 1370995038 /nfs/dbraw/zinc/99/50/38/1370995038.db2.gz IKGQNTQAXNUNSG-ATZDWAIDSA-N 2 2 344.528 3.214 20 0 EGADLP COc1ccc(Br)c(F)c1C[NH+]1CCC(CC[NH3+])CC1 ZINC001206506991 1371076459 /nfs/dbraw/zinc/07/64/59/1371076459.db2.gz VLMTZSWFDJBBJX-UHFFFAOYSA-N 2 2 345.256 3.158 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533361 1371086617 /nfs/dbraw/zinc/08/66/17/1371086617.db2.gz GEOLBQCKBWXANX-OSJSJHBBSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533361 1371086620 /nfs/dbraw/zinc/08/66/20/1371086620.db2.gz GEOLBQCKBWXANX-OSJSJHBBSA-N 2 2 346.519 3.163 20 0 EGADLP Cc1nc(Cl)c(CC[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)n1 ZINC001206541846 1371087356 /nfs/dbraw/zinc/08/73/56/1371087356.db2.gz LPGZMBCGLUCNFG-OAHLLOKOSA-N 2 2 331.291 3.085 20 0 EGADLP Cc1nc(Cl)c(CC[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)n1 ZINC001206541846 1371087363 /nfs/dbraw/zinc/08/73/63/1371087363.db2.gz LPGZMBCGLUCNFG-OAHLLOKOSA-N 2 2 331.291 3.085 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541763 1371087725 /nfs/dbraw/zinc/08/77/25/1371087725.db2.gz JRWLRFCQHVEJIX-NHCUHLMSSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001206541763 1371087726 /nfs/dbraw/zinc/08/77/26/1371087726.db2.gz JRWLRFCQHVEJIX-NHCUHLMSSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@]1(C[NH3+])CCCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001206541763 1371087732 /nfs/dbraw/zinc/08/77/32/1371087732.db2.gz JRWLRFCQHVEJIX-NHCUHLMSSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@]1(C[NH3+])CCCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001206541763 1371087737 /nfs/dbraw/zinc/08/77/37/1371087737.db2.gz JRWLRFCQHVEJIX-NHCUHLMSSA-N 3 2 329.532 3.350 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001206554243 1371092275 /nfs/dbraw/zinc/09/22/75/1371092275.db2.gz CCAWSPPXWYPNAJ-INIZCTEOSA-N 2 2 342.940 3.348 20 0 EGADLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001206554243 1371092279 /nfs/dbraw/zinc/09/22/79/1371092279.db2.gz CCAWSPPXWYPNAJ-INIZCTEOSA-N 2 2 342.940 3.348 20 0 EGADLP Fc1cc(C[NH+]2CCOCC2)ccc1-c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001206733831 1371148930 /nfs/dbraw/zinc/14/89/30/1371148930.db2.gz DAZWTPSWMPJRMW-LJQANCHMSA-N 2 2 340.442 3.402 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccccc1 ZINC001206771562 1371159689 /nfs/dbraw/zinc/15/96/89/1371159689.db2.gz QBLOKOXMZVOYFW-KRWDZBQOSA-N 2 2 333.395 3.030 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206772216 1371160920 /nfs/dbraw/zinc/16/09/20/1371160920.db2.gz ZIXBGKNNUSQRPU-QWHCGFSZSA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc2c1 ZINC001206772216 1371160925 /nfs/dbraw/zinc/16/09/25/1371160925.db2.gz ZIXBGKNNUSQRPU-QWHCGFSZSA-N 2 2 333.863 3.456 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206806144 1371175105 /nfs/dbraw/zinc/17/51/05/1371175105.db2.gz FUFLUQHSSKAFOU-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206806144 1371175107 /nfs/dbraw/zinc/17/51/07/1371175107.db2.gz FUFLUQHSSKAFOU-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](n2cncn2)C1 ZINC001118493244 1371189327 /nfs/dbraw/zinc/18/93/27/1371189327.db2.gz RKSLBEVVWWNTNP-KCITZHQASA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](n2cncn2)C1 ZINC001118493244 1371189329 /nfs/dbraw/zinc/18/93/29/1371189329.db2.gz RKSLBEVVWWNTNP-KCITZHQASA-N 2 2 331.508 3.004 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc[nH]c2=O)CC1 ZINC001207010937 1371265356 /nfs/dbraw/zinc/26/53/56/1371265356.db2.gz ANTPYGUZEORNSX-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc[nH]c2=O)CC1 ZINC001207010937 1371265359 /nfs/dbraw/zinc/26/53/59/1371265359.db2.gz ANTPYGUZEORNSX-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP O=c1cc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cc[nH]1 ZINC001207122867 1371299553 /nfs/dbraw/zinc/29/95/53/1371299553.db2.gz XHPZUZQRFAHIFG-UHFFFAOYSA-N 2 2 346.390 3.294 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC001207285227 1371350350 /nfs/dbraw/zinc/35/03/50/1371350350.db2.gz DNFVOACCQBNWAA-UHFFFAOYSA-N 2 2 330.472 3.074 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207494300 1371414274 /nfs/dbraw/zinc/41/42/74/1371414274.db2.gz BHDZETQIOVHUHX-UHFFFAOYSA-N 2 2 334.479 3.334 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207494300 1371414278 /nfs/dbraw/zinc/41/42/78/1371414278.db2.gz BHDZETQIOVHUHX-UHFFFAOYSA-N 2 2 334.479 3.334 20 0 EGADLP Fc1cccc(CCC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001207600725 1371448075 /nfs/dbraw/zinc/44/80/75/1371448075.db2.gz ZDYNLWIOGOFHJJ-UHFFFAOYSA-N 2 2 340.402 3.049 20 0 EGADLP Fc1cccc(CCC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001207600725 1371448077 /nfs/dbraw/zinc/44/80/77/1371448077.db2.gz ZDYNLWIOGOFHJJ-UHFFFAOYSA-N 2 2 340.402 3.049 20 0 EGADLP CCC/C=C\CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCCC1 ZINC001120009864 1371453373 /nfs/dbraw/zinc/45/33/73/1371453373.db2.gz GPVWGBGKWFDIJS-WAYWQWQTSA-N 2 2 346.519 3.118 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702960 1371478760 /nfs/dbraw/zinc/47/87/60/1371478760.db2.gz DPOYQRFULBUOJG-XWMIQMMGSA-N 2 2 340.471 3.359 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207702960 1371478762 /nfs/dbraw/zinc/47/87/62/1371478762.db2.gz DPOYQRFULBUOJG-XWMIQMMGSA-N 2 2 340.471 3.359 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCC2CCCCC2)CCCCC1 ZINC001120248754 1371513860 /nfs/dbraw/zinc/51/38/60/1371513860.db2.gz SNZIIPWCIPHDOG-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386289 1371746725 /nfs/dbraw/zinc/74/67/25/1371746725.db2.gz AZOJGDOEPSSUEK-ZWKOTPCHSA-N 2 2 334.508 3.097 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208407760 1371756435 /nfs/dbraw/zinc/75/64/35/1371756435.db2.gz JGXVMEUXXSKJJL-QGZVFWFLSA-N 2 2 347.503 3.040 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)C1 ZINC001208605254 1371838252 /nfs/dbraw/zinc/83/82/52/1371838252.db2.gz BJQLEDDHSUIRPB-HNNXBMFYSA-N 2 2 330.447 3.088 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)C1 ZINC001208605254 1371838253 /nfs/dbraw/zinc/83/82/53/1371838253.db2.gz BJQLEDDHSUIRPB-HNNXBMFYSA-N 2 2 330.447 3.088 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001121254956 1371909704 /nfs/dbraw/zinc/90/97/04/1371909704.db2.gz HWZVBTMDAUWKMJ-SWGIKSQZSA-N 2 2 344.503 3.111 20 0 EGADLP CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001121254956 1371909708 /nfs/dbraw/zinc/90/97/08/1371909708.db2.gz HWZVBTMDAUWKMJ-SWGIKSQZSA-N 2 2 344.503 3.111 20 0 EGADLP CCCC[NH2+]C1CC2(CC(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001121272038 1371917078 /nfs/dbraw/zinc/91/70/78/1371917078.db2.gz SYCFJUUCOCGHBT-WZXTXQKWSA-N 2 2 346.519 3.287 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985305 1371968230 /nfs/dbraw/zinc/96/82/30/1371968230.db2.gz PPMDAZXOPNFZOL-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208985305 1371968233 /nfs/dbraw/zinc/96/82/33/1371968233.db2.gz PPMDAZXOPNFZOL-ZIFCJYIRSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001209084423 1371993050 /nfs/dbraw/zinc/99/30/50/1371993050.db2.gz VIEGBRRRWUICMU-FGTMMUONSA-N 2 2 336.520 3.018 20 0 EGADLP C[C@H](CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)n1cc[nH+]c1 ZINC001121841877 1372099440 /nfs/dbraw/zinc/09/94/40/1372099440.db2.gz RIDHMTCRDQMVOS-WIOLVWRCSA-N 2 2 344.503 3.041 20 0 EGADLP FC(F)(F)Oc1cccc(Cl)c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209527640 1372129640 /nfs/dbraw/zinc/12/96/40/1372129640.db2.gz XESWHWJIWHEPTO-UHFFFAOYSA-N 2 2 345.752 3.493 20 0 EGADLP FC(F)(F)Oc1cccc(Cl)c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209527640 1372129642 /nfs/dbraw/zinc/12/96/42/1372129642.db2.gz XESWHWJIWHEPTO-UHFFFAOYSA-N 2 2 345.752 3.493 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncs3)C[C@@H]21 ZINC001209549459 1372133684 /nfs/dbraw/zinc/13/36/84/1372133684.db2.gz USICJKNUXTWPJM-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncs3)C[C@@H]21 ZINC001209549459 1372133688 /nfs/dbraw/zinc/13/36/88/1372133688.db2.gz USICJKNUXTWPJM-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC001209549459 1372133693 /nfs/dbraw/zinc/13/36/93/1372133693.db2.gz USICJKNUXTWPJM-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC001209549459 1372133697 /nfs/dbraw/zinc/13/36/97/1372133697.db2.gz USICJKNUXTWPJM-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC001209627180 1372155203 /nfs/dbraw/zinc/15/52/03/1372155203.db2.gz GQSWSMBZVXHATL-GOSISDBHSA-N 2 2 338.455 3.039 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC001209627180 1372155205 /nfs/dbraw/zinc/15/52/05/1372155205.db2.gz GQSWSMBZVXHATL-GOSISDBHSA-N 2 2 338.455 3.039 20 0 EGADLP CCC[N@H+](Cc1c[nH+]ccc1N)[C@@H](C)C(=O)Nc1ccccc1C ZINC001209736703 1372180438 /nfs/dbraw/zinc/18/04/38/1372180438.db2.gz HQLSWBZKQBUQDU-HNNXBMFYSA-N 2 2 326.444 3.042 20 0 EGADLP CCC[N@@H+](Cc1c[nH+]ccc1N)[C@@H](C)C(=O)Nc1ccccc1C ZINC001209736703 1372180439 /nfs/dbraw/zinc/18/04/39/1372180439.db2.gz HQLSWBZKQBUQDU-HNNXBMFYSA-N 2 2 326.444 3.042 20 0 EGADLP Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC001209926760 1372231776 /nfs/dbraw/zinc/23/17/76/1372231776.db2.gz GQPFONXDFMTZBN-UHFFFAOYSA-N 2 2 349.438 3.152 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211448001 1372560948 /nfs/dbraw/zinc/56/09/48/1372560948.db2.gz SWSGNEGZWMUJBJ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211448001 1372560952 /nfs/dbraw/zinc/56/09/52/1372560952.db2.gz SWSGNEGZWMUJBJ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H](CC(F)(F)C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001211895887 1372629786 /nfs/dbraw/zinc/62/97/86/1372629786.db2.gz PABWLKMVIMBNJH-NSHDSACASA-N 2 2 333.342 3.010 20 0 EGADLP C[C@@H]1C[C@H](Oc2cccc(C(=O)C[N@H+](C)Cc3ccccc3)c2)C[NH2+]1 ZINC001218046200 1373547463 /nfs/dbraw/zinc/54/74/63/1373547463.db2.gz NZHVSKLCOMYYTF-UZLBHIALSA-N 2 2 338.451 3.131 20 0 EGADLP C[C@@H]1C[C@H](Oc2cccc(C(=O)C[N@@H+](C)Cc3ccccc3)c2)C[NH2+]1 ZINC001218046200 1373547468 /nfs/dbraw/zinc/54/74/68/1373547468.db2.gz NZHVSKLCOMYYTF-UZLBHIALSA-N 2 2 338.451 3.131 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc3cc[nH]c3c2)c(C)[nH+]1 ZINC001131560364 1373721234 /nfs/dbraw/zinc/72/12/34/1373721234.db2.gz KNCQVPSTSZSLHV-UHFFFAOYSA-N 2 2 336.439 3.008 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H]2CCCc3ccccc32)c(C)[nH+]1 ZINC001131562644 1373721860 /nfs/dbraw/zinc/72/18/60/1373721860.db2.gz CWDHQODFGGAJPU-IBGZPJMESA-N 2 2 337.467 3.404 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222278062 1373823847 /nfs/dbraw/zinc/82/38/47/1373823847.db2.gz WUMGMNZCHIUJPH-IBGZPJMESA-N 2 2 344.890 3.491 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222278062 1373823851 /nfs/dbraw/zinc/82/38/51/1373823851.db2.gz WUMGMNZCHIUJPH-IBGZPJMESA-N 2 2 344.890 3.491 20 0 EGADLP Cc1ccc(N2CCC[C@H](Oc3ccc(C[NH+](C)C)cc3)C2)[nH+]c1 ZINC001225332300 1375105079 /nfs/dbraw/zinc/10/50/79/1375105079.db2.gz JVRUSSCHFGZXHU-IBGZPJMESA-N 2 2 325.456 3.499 20 0 EGADLP CCC/C=C\CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225647006 1375138553 /nfs/dbraw/zinc/13/85/53/1375138553.db2.gz PTEUBGZXDCBMRU-PLNGDYQASA-N 2 2 346.519 3.238 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091244 1375140960 /nfs/dbraw/zinc/14/09/60/1375140960.db2.gz VCIILBNIEXETDL-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132091244 1375140962 /nfs/dbraw/zinc/14/09/62/1375140962.db2.gz VCIILBNIEXETDL-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091244 1375140964 /nfs/dbraw/zinc/14/09/64/1375140964.db2.gz VCIILBNIEXETDL-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132091244 1375140967 /nfs/dbraw/zinc/14/09/67/1375140967.db2.gz VCIILBNIEXETDL-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090806 1375141379 /nfs/dbraw/zinc/14/13/79/1375141379.db2.gz MJYUBFWAKAMYRS-APWZRJJASA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090806 1375141384 /nfs/dbraw/zinc/14/13/84/1375141384.db2.gz MJYUBFWAKAMYRS-APWZRJJASA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132090806 1375141387 /nfs/dbraw/zinc/14/13/87/1375141387.db2.gz MJYUBFWAKAMYRS-APWZRJJASA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1=CCCCC1 ZINC001132090806 1375141392 /nfs/dbraw/zinc/14/13/92/1375141392.db2.gz MJYUBFWAKAMYRS-APWZRJJASA-N 2 2 344.503 3.202 20 0 EGADLP CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226250807 1375227297 /nfs/dbraw/zinc/22/72/97/1375227297.db2.gz IXXFJBHKQZHYKE-GVDBMIGSSA-N 2 2 346.450 3.021 20 0 EGADLP CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226972590 1375374384 /nfs/dbraw/zinc/37/43/84/1375374384.db2.gz FSYGQKZEKAZONW-KURKYZTESA-N 2 2 334.508 3.143 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132545665 1375452449 /nfs/dbraw/zinc/45/24/49/1375452449.db2.gz DGXBEFQWUXGYJG-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132545665 1375452451 /nfs/dbraw/zinc/45/24/51/1375452451.db2.gz DGXBEFQWUXGYJG-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228851742 1375693790 /nfs/dbraw/zinc/69/37/90/1375693790.db2.gz BWCIZCKDVNHIQU-KBAYOESNSA-N 2 2 334.508 3.287 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021167 1375716720 /nfs/dbraw/zinc/71/67/20/1375716720.db2.gz JTKYSAKFWIGYQC-OBNUAKFSSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001229559567 1375854361 /nfs/dbraw/zinc/85/43/61/1375854361.db2.gz YSKLYGNWNHCUKE-INIZCTEOSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001229559567 1375854365 /nfs/dbraw/zinc/85/43/65/1375854365.db2.gz YSKLYGNWNHCUKE-INIZCTEOSA-N 2 2 344.503 3.059 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1C ZINC001133240843 1375861759 /nfs/dbraw/zinc/86/17/59/1375861759.db2.gz AXCKBIPHPZUIMB-SJORKVTESA-N 2 2 348.535 3.342 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001133270377 1375885819 /nfs/dbraw/zinc/88/58/19/1375885819.db2.gz JHEKACSPCNRESE-PRVDXRAFSA-N 2 2 346.519 3.081 20 0 EGADLP c1c[nH+]c(-c2ccc(O[C@H]3CC[C@H]([NH+]4CCOCC4)CC3)cc2)[nH]1 ZINC001231081537 1376200071 /nfs/dbraw/zinc/20/00/71/1376200071.db2.gz MVEMHZIGIFASJB-SAABIXHNSA-N 2 2 327.428 3.099 20 0 EGADLP CC[N@H+](Cc1cncc(Br)c1C)C1CC[NH+](C)CC1 ZINC001232533457 1376477944 /nfs/dbraw/zinc/47/79/44/1376477944.db2.gz NVOOSZQXOSBBJD-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[N@@H+](Cc1cncc(Br)c1C)C1CC[NH+](C)CC1 ZINC001232533457 1376477945 /nfs/dbraw/zinc/47/79/45/1376477945.db2.gz NVOOSZQXOSBBJD-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP COc1cccc(C)c1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232621650 1376491008 /nfs/dbraw/zinc/49/10/08/1376491008.db2.gz YTKOPNZCZCDOGN-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cccc(C)c1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001232621650 1376491010 /nfs/dbraw/zinc/49/10/10/1376491010.db2.gz YTKOPNZCZCDOGN-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cccc(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001232621650 1376491015 /nfs/dbraw/zinc/49/10/15/1376491015.db2.gz YTKOPNZCZCDOGN-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cccc(C)c1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001232621650 1376491021 /nfs/dbraw/zinc/49/10/21/1376491021.db2.gz YTKOPNZCZCDOGN-NRFANRHFSA-N 2 2 346.515 3.326 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546205 1376583924 /nfs/dbraw/zinc/58/39/24/1376583924.db2.gz XPORLPLNOZCTGJ-HOTGVXAUSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546205 1376583935 /nfs/dbraw/zinc/58/39/35/1376583935.db2.gz XPORLPLNOZCTGJ-HOTGVXAUSA-N 2 2 346.519 3.186 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544986 1376584363 /nfs/dbraw/zinc/58/43/63/1376584363.db2.gz KONWHUCJPVODDR-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544986 1376584368 /nfs/dbraw/zinc/58/43/68/1376584368.db2.gz KONWHUCJPVODDR-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545036 1376585208 /nfs/dbraw/zinc/58/52/08/1376585208.db2.gz KRHXIVREPBACLD-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545036 1376585214 /nfs/dbraw/zinc/58/52/14/1376585214.db2.gz KRHXIVREPBACLD-IAGOWNOFSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCC2CCC2)c[nH+]1 ZINC001134728840 1376680757 /nfs/dbraw/zinc/68/07/57/1376680757.db2.gz CMVMADGAKDLEBN-HOTGVXAUSA-N 2 2 348.535 3.380 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134729788 1376682549 /nfs/dbraw/zinc/68/25/49/1376682549.db2.gz MTCWLQJOWHDPKL-LSDHHAIUSA-N 2 2 336.524 3.236 20 0 EGADLP Clc1ccc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235036120 1376835280 /nfs/dbraw/zinc/83/52/80/1376835280.db2.gz IINACBSSDHIBAR-QMTHXVAHSA-N 2 2 349.689 3.457 20 0 EGADLP Clc1ccc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1Cl ZINC001235036120 1376835287 /nfs/dbraw/zinc/83/52/87/1376835287.db2.gz IINACBSSDHIBAR-QMTHXVAHSA-N 2 2 349.689 3.457 20 0 EGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113476 1376847285 /nfs/dbraw/zinc/84/72/85/1376847285.db2.gz CMGKBHXKOZBEFK-NRFANRHFSA-N 2 2 341.499 3.420 20 0 EGADLP CC(C)(C)c1[nH]c2ccccc2c1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113476 1376847292 /nfs/dbraw/zinc/84/72/92/1376847292.db2.gz CMGKBHXKOZBEFK-NRFANRHFSA-N 2 2 341.499 3.420 20 0 EGADLP c1csc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)c1 ZINC001235116072 1376848802 /nfs/dbraw/zinc/84/88/02/1376848802.db2.gz ILNYHWXVOTXSHN-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP c1csc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)c1 ZINC001235116072 1376848808 /nfs/dbraw/zinc/84/88/08/1376848808.db2.gz ILNYHWXVOTXSHN-LJQANCHMSA-N 2 2 328.481 3.370 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2cncs2)c(C)[nH+]1 ZINC001135044113 1376864882 /nfs/dbraw/zinc/86/48/82/1376864882.db2.gz OSIFOLDMFUCDJF-JSGCOSHPSA-N 2 2 346.500 3.150 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC1CCCC1 ZINC001235273445 1376865363 /nfs/dbraw/zinc/86/53/63/1376865363.db2.gz STMIBEULXALWIB-SJLPKXTDSA-N 2 2 330.472 3.200 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC1CCCC1 ZINC001235273445 1376865370 /nfs/dbraw/zinc/86/53/70/1376865370.db2.gz STMIBEULXALWIB-SJLPKXTDSA-N 2 2 330.472 3.200 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138329 1376928426 /nfs/dbraw/zinc/92/84/26/1376928426.db2.gz ZUNFTYVTTSQIQA-DLBZAZTESA-N 2 2 334.508 3.117 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001237058571 1376973172 /nfs/dbraw/zinc/97/31/72/1376973172.db2.gz QLPDLGZXNDZCSH-INIZCTEOSA-N 2 2 336.277 3.491 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001237058571 1376973180 /nfs/dbraw/zinc/97/31/80/1376973180.db2.gz QLPDLGZXNDZCSH-INIZCTEOSA-N 2 2 336.277 3.491 20 0 EGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246297483 1377050988 /nfs/dbraw/zinc/05/09/88/1377050988.db2.gz GMXUJFJSGVACAT-FDFHNCONSA-N 3 2 341.543 3.205 20 0 EGADLP [NH3+][C@@H](C[NH2+][C@@H]1Cc2ccc(Br)cc2C1)c1ccccc1 ZINC001246292764 1377051280 /nfs/dbraw/zinc/05/12/80/1377051280.db2.gz QHHYHECFCWPPJG-SJORKVTESA-N 2 2 331.257 3.206 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246938693 1377055730 /nfs/dbraw/zinc/05/57/30/1377055730.db2.gz SJHXXQDOZWFVPM-QFBILLFUSA-N 2 2 349.494 3.027 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001246938693 1377055733 /nfs/dbraw/zinc/05/57/33/1377055733.db2.gz SJHXXQDOZWFVPM-QFBILLFUSA-N 2 2 349.494 3.027 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249525604 1377075304 /nfs/dbraw/zinc/07/53/04/1377075304.db2.gz VKAXPMCARFWKFO-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249525604 1377075306 /nfs/dbraw/zinc/07/53/06/1377075306.db2.gz VKAXPMCARFWKFO-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254508501 1377105883 /nfs/dbraw/zinc/10/58/83/1377105883.db2.gz JTYREOHZUVCMJE-GOSISDBHSA-N 3 2 333.495 3.172 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254508501 1377105887 /nfs/dbraw/zinc/10/58/87/1377105887.db2.gz JTYREOHZUVCMJE-GOSISDBHSA-N 3 2 333.495 3.172 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258519602 1377117103 /nfs/dbraw/zinc/11/71/03/1377117103.db2.gz MTIKZXZNLVTHJU-QGZVFWFLSA-N 2 2 338.536 3.408 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001327277842 1388480821 /nfs/dbraw/zinc/48/08/21/1388480821.db2.gz YJTNFCAAZKNAMH-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001327277842 1388480826 /nfs/dbraw/zinc/48/08/26/1388480826.db2.gz YJTNFCAAZKNAMH-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001135949215 1377274444 /nfs/dbraw/zinc/27/44/44/1377274444.db2.gz JQUWEJYVJKEYGP-DLBZAZTESA-N 2 2 348.535 3.196 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267208964 1377431046 /nfs/dbraw/zinc/43/10/46/1377431046.db2.gz DBWFOHDXJNWRBM-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267208964 1377431048 /nfs/dbraw/zinc/43/10/48/1377431048.db2.gz DBWFOHDXJNWRBM-KRWDZBQOSA-N 2 2 348.878 3.126 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc4ccccc4nc3OC)C[C@H]2C1 ZINC001137207991 1377496987 /nfs/dbraw/zinc/49/69/87/1377496987.db2.gz GPQFZXFLOFILQE-QZTJIDSGSA-N 2 2 325.456 3.017 20 0 EGADLP COc1ccc(Cl)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001137265628 1377507208 /nfs/dbraw/zinc/50/72/08/1377507208.db2.gz PQTZMJCZDFAKLI-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP c1ccc2ncc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc2c1 ZINC001137279312 1377509467 /nfs/dbraw/zinc/50/94/67/1377509467.db2.gz KBOXQYADWVITSS-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnc5ccccc5c4)C[C@H]3C2)nc1 ZINC001137279622 1377509600 /nfs/dbraw/zinc/50/96/00/1377509600.db2.gz VTHJAOGSVOGYFE-PMACEKPBSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001271227532 1377624305 /nfs/dbraw/zinc/62/43/05/1377624305.db2.gz OHTYADPPTFLFFC-ZWKOTPCHSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001138398692 1377716974 /nfs/dbraw/zinc/71/69/74/1377716974.db2.gz JAKZKVUCYXRVEQ-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001138398692 1377716979 /nfs/dbraw/zinc/71/69/79/1377716979.db2.gz JAKZKVUCYXRVEQ-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001138398692 1377716983 /nfs/dbraw/zinc/71/69/83/1377716983.db2.gz JAKZKVUCYXRVEQ-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001138398692 1377716986 /nfs/dbraw/zinc/71/69/86/1377716986.db2.gz JAKZKVUCYXRVEQ-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP CN(C)c1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)s1 ZINC001138493985 1377733297 /nfs/dbraw/zinc/73/32/97/1377733297.db2.gz FPMMAGBYYFGFSJ-UHFFFAOYSA-N 2 2 325.497 3.212 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3cnc(C4CC4)nc3C2)cc1 ZINC001138551444 1377740982 /nfs/dbraw/zinc/74/09/82/1377740982.db2.gz GLARLQFDGGAOIV-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3cnc(C4CC4)nc3C2)cc1 ZINC001138551444 1377740983 /nfs/dbraw/zinc/74/09/83/1377740983.db2.gz GLARLQFDGGAOIV-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(Oc4ncccn4)c3)C[C@@H]2C1 ZINC001138624215 1377756166 /nfs/dbraw/zinc/75/61/66/1377756166.db2.gz YINMRGIGSORTOV-ROUUACIJSA-N 2 2 338.455 3.043 20 0 EGADLP CCC(=O)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001138967889 1377810968 /nfs/dbraw/zinc/81/09/68/1377810968.db2.gz WWNVXHLIBORUBM-UHFFFAOYSA-N 2 2 330.472 3.452 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCC)cc3OCC)C[C@@H]2C1 ZINC001138983653 1377813087 /nfs/dbraw/zinc/81/30/87/1377813087.db2.gz BKRHOJYFZLKEFQ-ROUUACIJSA-N 2 2 332.488 3.258 20 0 EGADLP c1coc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC001139061120 1377823559 /nfs/dbraw/zinc/82/35/59/1377823559.db2.gz WBOKWTPNGGWIGC-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP c1coc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC001139061120 1377823561 /nfs/dbraw/zinc/82/35/61/1377823561.db2.gz WBOKWTPNGGWIGC-UHFFFAOYSA-N 2 2 326.440 3.276 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4cccc(C)c34)CC2)c1 ZINC001139198387 1377849214 /nfs/dbraw/zinc/84/92/14/1377849214.db2.gz MJZWBWBVCHUGKR-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP CCc1nc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)no1 ZINC001139361816 1377874284 /nfs/dbraw/zinc/87/42/84/1377874284.db2.gz ZPUYXSQNWUIXSU-UHFFFAOYSA-N 2 2 337.427 3.197 20 0 EGADLP c1cc(C[NH+]2CCC3(CCC3)CC2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762360 1377948051 /nfs/dbraw/zinc/94/80/51/1377948051.db2.gz XSOGFOHEBDMFJA-UHFFFAOYSA-N 2 2 344.499 3.164 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140025518 1377991683 /nfs/dbraw/zinc/99/16/83/1377991683.db2.gz CFHCUFQUMWLPFR-HXUWFJFHSA-N 2 2 341.455 3.346 20 0 EGADLP CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140025518 1377991684 /nfs/dbraw/zinc/99/16/84/1377991684.db2.gz CFHCUFQUMWLPFR-HXUWFJFHSA-N 2 2 341.455 3.346 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001140027052 1377991764 /nfs/dbraw/zinc/99/17/64/1377991764.db2.gz WLLJXMSSXACXSX-HXUWFJFHSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001140027052 1377991765 /nfs/dbraw/zinc/99/17/65/1377991765.db2.gz WLLJXMSSXACXSX-HXUWFJFHSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001140027313 1377991917 /nfs/dbraw/zinc/99/19/17/1377991917.db2.gz IAHPQRFTFQRQSH-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001140027313 1377991919 /nfs/dbraw/zinc/99/19/19/1377991919.db2.gz IAHPQRFTFQRQSH-UHFFFAOYSA-N 2 2 347.466 3.288 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140491570 1378071810 /nfs/dbraw/zinc/07/18/10/1378071810.db2.gz GWYJBAUIWPTSME-KDURUIRLSA-N 2 2 344.499 3.258 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140491570 1378071812 /nfs/dbraw/zinc/07/18/12/1378071812.db2.gz GWYJBAUIWPTSME-KDURUIRLSA-N 2 2 344.499 3.258 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140491570 1378071815 /nfs/dbraw/zinc/07/18/15/1378071815.db2.gz GWYJBAUIWPTSME-KDURUIRLSA-N 2 2 344.499 3.258 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140491570 1378071818 /nfs/dbraw/zinc/07/18/18/1378071818.db2.gz GWYJBAUIWPTSME-KDURUIRLSA-N 2 2 344.499 3.258 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001140523889 1378077455 /nfs/dbraw/zinc/07/74/55/1378077455.db2.gz FSGKHWCBJNIVNA-LSDHHAIUSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)s1 ZINC001140523889 1378077458 /nfs/dbraw/zinc/07/74/58/1378077458.db2.gz FSGKHWCBJNIVNA-LSDHHAIUSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)s1 ZINC001140523889 1378077462 /nfs/dbraw/zinc/07/74/62/1378077462.db2.gz FSGKHWCBJNIVNA-LSDHHAIUSA-N 2 2 336.501 3.374 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)s1 ZINC001140523889 1378077466 /nfs/dbraw/zinc/07/74/66/1378077466.db2.gz FSGKHWCBJNIVNA-LSDHHAIUSA-N 2 2 336.501 3.374 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001140573836 1378087577 /nfs/dbraw/zinc/08/75/77/1378087577.db2.gz UJGLWVWZWDBEIW-IRXDYDNUSA-N 2 2 328.481 3.326 20 0 EGADLP Oc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC001140630283 1378100974 /nfs/dbraw/zinc/10/09/74/1378100974.db2.gz PONKYMHSSOXZBA-AWEZNQCLSA-N 2 2 336.338 3.042 20 0 EGADLP Oc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC001140630283 1378100976 /nfs/dbraw/zinc/10/09/76/1378100976.db2.gz PONKYMHSSOXZBA-AWEZNQCLSA-N 2 2 336.338 3.042 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140659099 1378108187 /nfs/dbraw/zinc/10/81/87/1378108187.db2.gz MYUMTLURIOWPCS-IBGZPJMESA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140659099 1378108188 /nfs/dbraw/zinc/10/81/88/1378108188.db2.gz MYUMTLURIOWPCS-IBGZPJMESA-N 2 2 332.488 3.084 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140777790 1378134147 /nfs/dbraw/zinc/13/41/47/1378134147.db2.gz FWOJZHFRERAQIY-QZTJIDSGSA-N 2 2 325.431 3.093 20 0 EGADLP CCn1ccnc1C[NH+]1CC2(C1)CC[NH+](CCCC(F)(F)F)CC2 ZINC001275166396 1378137246 /nfs/dbraw/zinc/13/72/46/1378137246.db2.gz VJMFNIIDVSAQDY-UHFFFAOYSA-N 2 2 344.425 3.143 20 0 EGADLP c1cc(-c2ncnc3c2CC[N@H+](Cc2c[nH]c4cc[nH+]cc24)CC3)co1 ZINC001140802671 1378142590 /nfs/dbraw/zinc/14/25/90/1378142590.db2.gz ALSJLYFLNUTITA-UHFFFAOYSA-N 2 2 345.406 3.214 20 0 EGADLP c1cc(-c2ncnc3c2CC[N@@H+](Cc2c[nH]c4cc[nH+]cc24)CC3)co1 ZINC001140802671 1378142597 /nfs/dbraw/zinc/14/25/97/1378142597.db2.gz ALSJLYFLNUTITA-UHFFFAOYSA-N 2 2 345.406 3.214 20 0 EGADLP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805850 1378143411 /nfs/dbraw/zinc/14/34/11/1378143411.db2.gz NVPCWFSICJUUGJ-CZUORRHYSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805850 1378143412 /nfs/dbraw/zinc/14/34/12/1378143412.db2.gz NVPCWFSICJUUGJ-CZUORRHYSA-N 2 2 344.459 3.441 20 0 EGADLP O=C(NC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1)C1CCCCC1 ZINC001140805987 1378144923 /nfs/dbraw/zinc/14/49/23/1378144923.db2.gz SKEVHWIAMNMZMM-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CS[C@H](C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001276470722 1378174141 /nfs/dbraw/zinc/17/41/41/1378174141.db2.gz QQZDRILUWAPKCA-FGTMMUONSA-N 3 2 336.549 3.049 20 0 EGADLP Nc1cccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)n1 ZINC001276492105 1378176109 /nfs/dbraw/zinc/17/61/09/1378176109.db2.gz JYLDVOFDGASACX-FQEVSTJZSA-N 2 2 328.504 3.284 20 0 EGADLP Nc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C4CCCC4)C3)C2)n1 ZINC001276492105 1378176112 /nfs/dbraw/zinc/17/61/12/1378176112.db2.gz JYLDVOFDGASACX-FQEVSTJZSA-N 2 2 328.504 3.284 20 0 EGADLP Nc1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C4CCCC4)C3)C2)n1 ZINC001276492105 1378176116 /nfs/dbraw/zinc/17/61/16/1378176116.db2.gz JYLDVOFDGASACX-FQEVSTJZSA-N 2 2 328.504 3.284 20 0 EGADLP Nc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)n1 ZINC001276492105 1378176119 /nfs/dbraw/zinc/17/61/19/1378176119.db2.gz JYLDVOFDGASACX-FQEVSTJZSA-N 2 2 328.504 3.284 20 0 EGADLP Oc1cccc2ccc(C[N@@H+]3CCC[C@H](Oc4cc[nH+]cc4)C3)nc12 ZINC001141026033 1378211926 /nfs/dbraw/zinc/21/19/26/1378211926.db2.gz ZYFGPOBLNXPLNJ-SFHVURJKSA-N 2 2 335.407 3.379 20 0 EGADLP Oc1cccc2ccc(C[N@H+]3CCC[C@H](Oc4cc[nH+]cc4)C3)nc12 ZINC001141026033 1378211932 /nfs/dbraw/zinc/21/19/32/1378211932.db2.gz ZYFGPOBLNXPLNJ-SFHVURJKSA-N 2 2 335.407 3.379 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054679 1378223905 /nfs/dbraw/zinc/22/39/05/1378223905.db2.gz QWIMRYILZFQKKF-WDSOQIARSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054679 1378223912 /nfs/dbraw/zinc/22/39/12/1378223912.db2.gz QWIMRYILZFQKKF-WDSOQIARSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054679 1378223920 /nfs/dbraw/zinc/22/39/20/1378223920.db2.gz QWIMRYILZFQKKF-WDSOQIARSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1ncoc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001141054679 1378223922 /nfs/dbraw/zinc/22/39/22/1378223922.db2.gz QWIMRYILZFQKKF-WDSOQIARSA-N 2 2 340.471 3.111 20 0 EGADLP CCCCc1[nH]c(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c[nH+]1 ZINC001141069382 1378230073 /nfs/dbraw/zinc/23/00/73/1378230073.db2.gz ZQILNTWCRUQOGJ-HOTGVXAUSA-N 2 2 344.528 3.378 20 0 EGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1F)C2 ZINC001141192558 1378264656 /nfs/dbraw/zinc/26/46/56/1378264656.db2.gz AUUMKDFQONSUPB-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)cc1F)C2 ZINC001141192558 1378264659 /nfs/dbraw/zinc/26/46/59/1378264659.db2.gz AUUMKDFQONSUPB-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)cc1F)C2 ZINC001141192558 1378264668 /nfs/dbraw/zinc/26/46/68/1378264668.db2.gz AUUMKDFQONSUPB-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)cc1F)C2 ZINC001141192558 1378264673 /nfs/dbraw/zinc/26/46/73/1378264673.db2.gz AUUMKDFQONSUPB-CTNGQTDRSA-N 2 2 346.490 3.314 20 0 EGADLP CCOC(=O)C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141243735 1378281121 /nfs/dbraw/zinc/28/11/21/1378281121.db2.gz UWNXNHNIPMCTJN-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP CCOC(=O)C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC001141243735 1378281128 /nfs/dbraw/zinc/28/11/28/1378281128.db2.gz UWNXNHNIPMCTJN-UHFFFAOYSA-N 2 2 327.428 3.180 20 0 EGADLP Cc1ccc(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)c2ccccc12 ZINC001279443724 1378308861 /nfs/dbraw/zinc/30/88/61/1378308861.db2.gz DGUDDPAMBWJVKC-UHFFFAOYSA-N 2 2 346.478 3.163 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5c4OCO5)C[C@H]3C2)c1 ZINC001141950212 1378397467 /nfs/dbraw/zinc/39/74/67/1378397467.db2.gz NGUBOXXQLRVEOM-HOTGVXAUSA-N 2 2 342.464 3.041 20 0 EGADLP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](Cc1ccc3[nH+]ccn3c1)CC2 ZINC001143035837 1378531628 /nfs/dbraw/zinc/53/16/28/1378531628.db2.gz STSOLVDZDWRKJR-QGZVFWFLSA-N 2 2 341.455 3.280 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001143309649 1378577575 /nfs/dbraw/zinc/57/75/75/1378577575.db2.gz AUFOIGAPUDPQSJ-UHFFFAOYSA-N 2 2 343.324 3.108 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001143309649 1378577576 /nfs/dbraw/zinc/57/75/76/1378577576.db2.gz AUFOIGAPUDPQSJ-UHFFFAOYSA-N 2 2 343.324 3.108 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC(F)(F)F ZINC001143879420 1378656951 /nfs/dbraw/zinc/65/69/51/1378656951.db2.gz KCRCKRQVVFWAOJ-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC(F)(F)F ZINC001143879420 1378656955 /nfs/dbraw/zinc/65/69/55/1378656955.db2.gz KCRCKRQVVFWAOJ-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879420 1378656963 /nfs/dbraw/zinc/65/69/63/1378656963.db2.gz KCRCKRQVVFWAOJ-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC(F)(F)F ZINC001143879420 1378656966 /nfs/dbraw/zinc/65/69/66/1378656966.db2.gz KCRCKRQVVFWAOJ-INIZCTEOSA-N 2 2 344.377 3.121 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5cc[nH]c5n4)C[C@H]3C2)c1 ZINC001144171481 1378691242 /nfs/dbraw/zinc/69/12/42/1378691242.db2.gz BTFGFWNSGHPGPD-HOTGVXAUSA-N 2 2 338.480 3.188 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001144712214 1378762690 /nfs/dbraw/zinc/76/26/90/1378762690.db2.gz OVPWRGZTUWLBEE-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cccc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001144712214 1378762691 /nfs/dbraw/zinc/76/26/91/1378762691.db2.gz OVPWRGZTUWLBEE-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cccc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001144712214 1378762692 /nfs/dbraw/zinc/76/26/92/1378762692.db2.gz OVPWRGZTUWLBEE-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2cccc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2[nH]1 ZINC001144712214 1378762693 /nfs/dbraw/zinc/76/26/93/1378762693.db2.gz OVPWRGZTUWLBEE-BGYRXZFFSA-N 2 2 332.451 3.127 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146712636 1378905403 /nfs/dbraw/zinc/90/54/03/1378905403.db2.gz DRCIEKQUYLABBB-IAGOWNOFSA-N 2 2 334.508 3.117 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001153344459 1380059976 /nfs/dbraw/zinc/05/99/76/1380059976.db2.gz FHTNKHMOKFESAC-KRWDZBQOSA-N 2 2 342.487 3.254 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(N2CCCC2)c1 ZINC001328004598 1388643404 /nfs/dbraw/zinc/64/34/04/1388643404.db2.gz STNFUIATBKFYNK-UHFFFAOYSA-N 2 2 347.422 3.428 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760677 1380123398 /nfs/dbraw/zinc/12/33/98/1380123398.db2.gz WCOBLRQOLSCCJU-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760677 1380123399 /nfs/dbraw/zinc/12/33/99/1380123399.db2.gz WCOBLRQOLSCCJU-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760677 1380123400 /nfs/dbraw/zinc/12/34/00/1380123400.db2.gz WCOBLRQOLSCCJU-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760677 1380123401 /nfs/dbraw/zinc/12/34/01/1380123401.db2.gz WCOBLRQOLSCCJU-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930087 1380157084 /nfs/dbraw/zinc/15/70/84/1380157084.db2.gz GLCOOQTYGRIGNM-QZTJIDSGSA-N 2 2 336.524 3.343 20 0 EGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930087 1380157086 /nfs/dbraw/zinc/15/70/86/1380157086.db2.gz GLCOOQTYGRIGNM-QZTJIDSGSA-N 2 2 336.524 3.343 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994008 1380172848 /nfs/dbraw/zinc/17/28/48/1380172848.db2.gz ADHVGGSEFLLHNS-MRXNPFEDSA-N 2 2 336.524 3.189 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994008 1380172851 /nfs/dbraw/zinc/17/28/51/1380172851.db2.gz ADHVGGSEFLLHNS-MRXNPFEDSA-N 2 2 336.524 3.189 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092571 1380204884 /nfs/dbraw/zinc/20/48/84/1380204884.db2.gz JRTBUAQCTJJPQB-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092571 1380204889 /nfs/dbraw/zinc/20/48/89/1380204889.db2.gz JRTBUAQCTJJPQB-IAGOWNOFSA-N 2 2 348.535 3.098 20 0 EGADLP O=C(NCC1CC[NH+](C2CCCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001154526085 1380298343 /nfs/dbraw/zinc/29/83/43/1380298343.db2.gz IZCZOIRSIOHUHU-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP COC(=O)c1ccc2cc[nH+]c(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2c1 ZINC001155025670 1380393908 /nfs/dbraw/zinc/39/39/08/1380393908.db2.gz PENYBUHMJNBSDF-BBRMVZONSA-N 2 2 327.428 3.069 20 0 EGADLP Cc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc(-c2ccsc2)n1 ZINC001155063484 1380401104 /nfs/dbraw/zinc/40/11/04/1380401104.db2.gz DGZHPUSTMIWSAM-UHFFFAOYSA-N 2 2 325.441 3.166 20 0 EGADLP CC[C@H](C)C[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825628 1380495852 /nfs/dbraw/zinc/49/58/52/1380495852.db2.gz NZLPPVWECPQKJO-DOTOQJQBSA-N 2 2 344.503 3.058 20 0 EGADLP CC[C@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155825628 1380495854 /nfs/dbraw/zinc/49/58/54/1380495854.db2.gz NZLPPVWECPQKJO-DOTOQJQBSA-N 2 2 344.503 3.058 20 0 EGADLP COc1ccc2[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c(C)cc2c1 ZINC001155824349 1380495887 /nfs/dbraw/zinc/49/58/87/1380495887.db2.gz OOAGUBVYHDNOBB-AZUAARDMSA-N 2 2 341.455 3.265 20 0 EGADLP Cc1c(C)n(-c2cc[nH+]c(N3CCCCC3)n2)c2ccc(C[NH3+])cc12 ZINC001155907085 1380504702 /nfs/dbraw/zinc/50/47/02/1380504702.db2.gz QMCOPXSSFICXBT-UHFFFAOYSA-N 2 2 335.455 3.486 20 0 EGADLP Cc1cc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)nc(C(C)C)[nH+]1 ZINC001156215668 1380543773 /nfs/dbraw/zinc/54/37/73/1380543773.db2.gz RHDBNYJHMIIKBQ-UHFFFAOYSA-N 2 2 335.455 3.262 20 0 EGADLP C[N@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881087 1381058457 /nfs/dbraw/zinc/05/84/57/1381058457.db2.gz SWBOOEPYNDJKMD-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCC1CCCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881087 1381058461 /nfs/dbraw/zinc/05/84/61/1381058461.db2.gz SWBOOEPYNDJKMD-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158049953 1381111663 /nfs/dbraw/zinc/11/16/63/1381111663.db2.gz CXHBNXLGYYNVOM-SFFCAUCYSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158049953 1381111672 /nfs/dbraw/zinc/11/16/72/1381111672.db2.gz CXHBNXLGYYNVOM-SFFCAUCYSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158049953 1381111676 /nfs/dbraw/zinc/11/16/76/1381111676.db2.gz CXHBNXLGYYNVOM-SFFCAUCYSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158049953 1381111681 /nfs/dbraw/zinc/11/16/81/1381111681.db2.gz CXHBNXLGYYNVOM-SFFCAUCYSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158049954 1381112390 /nfs/dbraw/zinc/11/23/90/1381112390.db2.gz CXHBNXLGYYNVOM-ZMBJWTFHSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158049954 1381112397 /nfs/dbraw/zinc/11/23/97/1381112397.db2.gz CXHBNXLGYYNVOM-ZMBJWTFHSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158049954 1381112399 /nfs/dbraw/zinc/11/23/99/1381112399.db2.gz CXHBNXLGYYNVOM-ZMBJWTFHSA-N 2 2 346.519 3.402 20 0 EGADLP CCC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158049954 1381112401 /nfs/dbraw/zinc/11/24/01/1381112401.db2.gz CXHBNXLGYYNVOM-ZMBJWTFHSA-N 2 2 346.519 3.402 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090304 1381125768 /nfs/dbraw/zinc/12/57/68/1381125768.db2.gz TXVFBKSDOCXNID-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090304 1381125771 /nfs/dbraw/zinc/12/57/71/1381125771.db2.gz TXVFBKSDOCXNID-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090304 1381125776 /nfs/dbraw/zinc/12/57/76/1381125776.db2.gz TXVFBKSDOCXNID-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090304 1381125782 /nfs/dbraw/zinc/12/57/82/1381125782.db2.gz TXVFBKSDOCXNID-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949970 1381480728 /nfs/dbraw/zinc/48/07/28/1381480728.db2.gz XPOWRWDOHFXCHF-LJQANCHMSA-N 2 2 348.535 3.412 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949970 1381480731 /nfs/dbraw/zinc/48/07/31/1381480731.db2.gz XPOWRWDOHFXCHF-LJQANCHMSA-N 2 2 348.535 3.412 20 0 EGADLP Brc1cc(Nc2ccc3c(c2)C[NH2+]C3)cn2cc[nH+]c12 ZINC001159268343 1381748055 /nfs/dbraw/zinc/74/80/55/1381748055.db2.gz KGSRKGHJLHTRGI-UHFFFAOYSA-N 2 2 329.201 3.444 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964395 1381951672 /nfs/dbraw/zinc/95/16/72/1381951672.db2.gz JYEASXOMPUVXDX-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964395 1381951676 /nfs/dbraw/zinc/95/16/76/1381951676.db2.gz JYEASXOMPUVXDX-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001160336688 1382076615 /nfs/dbraw/zinc/07/66/15/1382076615.db2.gz IYHPKUQNBFRUMB-APHBMKBZSA-N 2 2 346.862 3.024 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001160336688 1382076619 /nfs/dbraw/zinc/07/66/19/1382076619.db2.gz IYHPKUQNBFRUMB-APHBMKBZSA-N 2 2 346.862 3.024 20 0 EGADLP CCCCC[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491806 1382120933 /nfs/dbraw/zinc/12/09/33/1382120933.db2.gz IZGJRCPGAQCJEV-UHFFFAOYSA-N 2 2 346.519 3.255 20 0 EGADLP CCCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160491806 1382120937 /nfs/dbraw/zinc/12/09/37/1382120937.db2.gz IZGJRCPGAQCJEV-UHFFFAOYSA-N 2 2 346.519 3.255 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001160992052 1382265770 /nfs/dbraw/zinc/26/57/70/1382265770.db2.gz PRPVYRKUONBUFR-QGZVFWFLSA-N 2 2 336.439 3.424 20 0 EGADLP CCCc1cc(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC001161120352 1382306211 /nfs/dbraw/zinc/30/62/11/1382306211.db2.gz UUKGRXQDOFBRPR-UHFFFAOYSA-N 2 2 332.492 3.229 20 0 EGADLP Cc1c[nH+]c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)nc1NC(C)C ZINC001161119027 1382306594 /nfs/dbraw/zinc/30/65/94/1382306594.db2.gz RREWHLURMTZRAJ-UHFFFAOYSA-N 2 2 347.507 3.097 20 0 EGADLP CCOC(=O)c1c[nH]c2cc(NCc3c[nH+]cn3C(C)C)[nH+]cc21 ZINC001161569432 1382441973 /nfs/dbraw/zinc/44/19/73/1382441973.db2.gz LLMDXYXZWVAMPU-UHFFFAOYSA-N 2 2 327.388 3.129 20 0 EGADLP [NH3+]C1CC[NH+](CCNc2nc(Cl)cc(C3CCCCC3)n2)CC1 ZINC001161872826 1382536331 /nfs/dbraw/zinc/53/63/31/1382536331.db2.gz MCUSJTAGOMKRHM-UHFFFAOYSA-N 2 2 337.899 3.013 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1c(Br)ccc2[nH+]ccn21 ZINC001162471985 1382768150 /nfs/dbraw/zinc/76/81/50/1382768150.db2.gz SCUKZNLOYSVXRN-NEPJUHHUSA-N 2 2 337.265 3.144 20 0 EGADLP Cc1cc(C[NH2+]CCCNC(=O)c2c(C)cc(C)[nH+]c2C)cs1 ZINC001162910342 1382913277 /nfs/dbraw/zinc/91/32/77/1382913277.db2.gz LNJWDRKTIBSXEU-UHFFFAOYSA-N 2 2 331.485 3.286 20 0 EGADLP c1ccc(-c2[nH]c3ccc(NCC[C@H]4CCOC45C[NH2+]C5)cc3[nH+]2)cc1 ZINC001163096899 1382963843 /nfs/dbraw/zinc/96/38/43/1382963843.db2.gz ZPCBFTQEUOATCX-INIZCTEOSA-N 2 2 348.450 3.410 20 0 EGADLP c1ccc(-c2[nH]c3ccc(NC[C@@H]4OC[C@H]5C[NH2+]CC[C@H]54)cc3[nH+]2)cc1 ZINC001163175187 1382984691 /nfs/dbraw/zinc/98/46/91/1382984691.db2.gz DJKHCKQATPNXCO-MDYRTPRTSA-N 2 2 348.450 3.266 20 0 EGADLP CC[NH+]1CCC(N(C)c2ccc3c(cc(OC)cc3OC)[nH+]2)CC1 ZINC001165069740 1383221479 /nfs/dbraw/zinc/22/14/79/1383221479.db2.gz RZSQMNVBZMLDTN-UHFFFAOYSA-N 2 2 329.444 3.173 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001165107447 1383229046 /nfs/dbraw/zinc/22/90/46/1383229046.db2.gz HNHRUEMQZBIUJO-LJQANCHMSA-N 2 2 325.456 3.314 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001165107447 1383229049 /nfs/dbraw/zinc/22/90/49/1383229049.db2.gz HNHRUEMQZBIUJO-LJQANCHMSA-N 2 2 325.456 3.314 20 0 EGADLP Cc1cc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc(C(C)C)[nH+]1 ZINC001165270946 1383263426 /nfs/dbraw/zinc/26/34/26/1383263426.db2.gz RDPFNGOYMZGWJE-HNNXBMFYSA-N 2 2 342.409 3.419 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC[NH2+]CC2 ZINC001165355764 1383281008 /nfs/dbraw/zinc/28/10/08/1383281008.db2.gz XLJVADNRQGSZJL-UHFFFAOYSA-N 2 2 341.503 3.254 20 0 EGADLP Cc1c2[nH+]c[nH]c2ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165384539 1383284150 /nfs/dbraw/zinc/28/41/50/1383284150.db2.gz LUNBPSAJJHVMGG-UHFFFAOYSA-N 2 2 336.439 3.316 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167421888 1383629071 /nfs/dbraw/zinc/62/90/71/1383629071.db2.gz AQWKMHVTGHSUFR-SJORKVTESA-N 2 2 348.535 3.147 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167421888 1383629073 /nfs/dbraw/zinc/62/90/73/1383629073.db2.gz AQWKMHVTGHSUFR-SJORKVTESA-N 2 2 348.535 3.147 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)n1cc[nH+]c1 ZINC001167428986 1383631609 /nfs/dbraw/zinc/63/16/09/1383631609.db2.gz OBXTZYDPQQJLJA-VQIMIIECSA-N 2 2 340.471 3.008 20 0 EGADLP CC(C)[NH+]1CC(Nc2cc(C[NH+](C)C)ccc2Br)C1 ZINC001168318022 1383871376 /nfs/dbraw/zinc/87/13/76/1383871376.db2.gz ZTQPFCLMJOWHAV-UHFFFAOYSA-N 2 2 326.282 3.015 20 0 EGADLP Cc1ccc(C)c(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168370728 1383886343 /nfs/dbraw/zinc/88/63/43/1383886343.db2.gz FMVBDNCGHUGJQK-UHFFFAOYSA-N 2 2 327.516 3.300 20 0 EGADLP Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001168406847 1383898265 /nfs/dbraw/zinc/89/82/65/1383898265.db2.gz KBOLCVMKEVPJFA-IBGZPJMESA-N 2 2 325.431 3.337 20 0 EGADLP Cc1cc([NH+]2CCCCC2)ccc1NCC1([NH+]2CCCC2)COC1 ZINC001168448027 1383908808 /nfs/dbraw/zinc/90/88/08/1383908808.db2.gz OJIOKUOAWPPSDN-UHFFFAOYSA-N 2 2 329.488 3.262 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001168486205 1383921245 /nfs/dbraw/zinc/92/12/45/1383921245.db2.gz KYLFRZVJQRUETB-CQSZACIVSA-N 2 2 340.402 3.048 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001168486205 1383921247 /nfs/dbraw/zinc/92/12/47/1383921247.db2.gz KYLFRZVJQRUETB-CQSZACIVSA-N 2 2 340.402 3.048 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608846 1383947449 /nfs/dbraw/zinc/94/74/49/1383947449.db2.gz FIRYVEDGKDTNMS-ZWOKBUDYSA-N 2 2 330.472 3.132 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)CCO2)cc1 ZINC001168608846 1383947452 /nfs/dbraw/zinc/94/74/52/1383947452.db2.gz FIRYVEDGKDTNMS-ZWOKBUDYSA-N 2 2 330.472 3.132 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619479 1383949824 /nfs/dbraw/zinc/94/98/24/1383949824.db2.gz ZESQJAMJFHJXPN-HBFSDRIKSA-N 2 2 332.488 3.235 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619479 1383949830 /nfs/dbraw/zinc/94/98/30/1383949830.db2.gz ZESQJAMJFHJXPN-HBFSDRIKSA-N 2 2 332.488 3.235 20 0 EGADLP COc1ccc([C@@H]2C[C@@H](n3cc[nH+]c3[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC001168664897 1383964297 /nfs/dbraw/zinc/96/42/97/1383964297.db2.gz KOWGSZLSXVEOQE-LNLFQRSKSA-N 2 2 341.455 3.452 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168673071 1383965784 /nfs/dbraw/zinc/96/57/84/1383965784.db2.gz PZUJXNIBUINTJX-IEBWSBKVSA-N 2 2 329.444 3.134 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168673071 1383965791 /nfs/dbraw/zinc/96/57/91/1383965791.db2.gz PZUJXNIBUINTJX-IEBWSBKVSA-N 2 2 329.444 3.134 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168741239 1383986395 /nfs/dbraw/zinc/98/63/95/1383986395.db2.gz XTHVBUDBMRJUSD-SFHVURJKSA-N 2 2 348.918 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168741239 1383986398 /nfs/dbraw/zinc/98/63/98/1383986398.db2.gz XTHVBUDBMRJUSD-SFHVURJKSA-N 2 2 348.918 3.382 20 0 EGADLP CCCC(=O)Nc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC001308204533 1384108736 /nfs/dbraw/zinc/10/87/36/1384108736.db2.gz ZKVJAOSDEWSWOE-UHFFFAOYSA-N 2 2 326.444 3.176 20 0 EGADLP c1ccc([C@@H](C[NH2+][C@@H]2CCCC3(C2)OCCO3)[NH+]2CCCC2)cc1 ZINC001169905005 1384196885 /nfs/dbraw/zinc/19/68/85/1384196885.db2.gz ILKRWTVHCGXEMK-RTBURBONSA-N 2 2 330.472 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482071 1384327295 /nfs/dbraw/zinc/32/72/95/1384327295.db2.gz BBWQIVIHCGQYCX-DLBZAZTESA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170744823 1384377333 /nfs/dbraw/zinc/37/73/33/1384377333.db2.gz BQMUSYNWVOLARQ-ACHSLPGTSA-N 2 2 330.520 3.318 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170744823 1384377339 /nfs/dbraw/zinc/37/73/39/1384377339.db2.gz BQMUSYNWVOLARQ-ACHSLPGTSA-N 2 2 330.520 3.318 20 0 EGADLP C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171525854 1384550914 /nfs/dbraw/zinc/55/09/14/1384550914.db2.gz DVZKYZDEDFMISH-UONOGXRCSA-N 2 2 334.439 3.189 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CCc3cc(F)c(F)c(F)c3C1)CC[NH2+]CC2 ZINC001171534492 1384555030 /nfs/dbraw/zinc/55/50/30/1384555030.db2.gz VSJFXTCJTSMSKN-GFCCVEGCSA-N 2 2 335.373 3.027 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577297 1384569766 /nfs/dbraw/zinc/56/97/66/1384569766.db2.gz PTLQXKWFLMVFFN-ROUUACIJSA-N 2 2 348.535 3.290 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577296 1384569822 /nfs/dbraw/zinc/56/98/22/1384569822.db2.gz PTLQXKWFLMVFFN-QZTJIDSGSA-N 2 2 348.535 3.290 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171605006 1384577462 /nfs/dbraw/zinc/57/74/62/1384577462.db2.gz LRYADWGEHOGYLT-VMLVWOMUSA-N 2 2 346.519 3.066 20 0 EGADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)C2 ZINC001171606414 1384578087 /nfs/dbraw/zinc/57/80/87/1384578087.db2.gz WYYQVGQDJCHLKL-DOTOQJQBSA-N 2 2 348.535 3.134 20 0 EGADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(C)C)CC2 ZINC001171606414 1384578090 /nfs/dbraw/zinc/57/80/90/1384578090.db2.gz WYYQVGQDJCHLKL-DOTOQJQBSA-N 2 2 348.535 3.134 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641907 1384590084 /nfs/dbraw/zinc/59/00/84/1384590084.db2.gz VSPAPZFTUMCXHT-KRWDZBQOSA-N 3 2 331.504 3.495 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171641907 1384590088 /nfs/dbraw/zinc/59/00/88/1384590088.db2.gz VSPAPZFTUMCXHT-KRWDZBQOSA-N 3 2 331.504 3.495 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171732433 1384618503 /nfs/dbraw/zinc/61/85/03/1384618503.db2.gz AINPHKQRZLKPOK-JBINPLMMSA-N 2 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171732433 1384618507 /nfs/dbraw/zinc/61/85/07/1384618507.db2.gz AINPHKQRZLKPOK-JBINPLMMSA-N 2 2 327.516 3.254 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171813500 1384647872 /nfs/dbraw/zinc/64/78/72/1384647872.db2.gz BSOZLDLJHUPVPU-NXOAAHMSSA-N 2 2 341.540 3.483 20 0 EGADLP CO[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068457 1384718867 /nfs/dbraw/zinc/71/88/67/1384718867.db2.gz IMBJDACBVBXZEG-MDMHHNQBSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1F ZINC001172068457 1384718870 /nfs/dbraw/zinc/71/88/70/1384718870.db2.gz IMBJDACBVBXZEG-MDMHHNQBSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068457 1384718873 /nfs/dbraw/zinc/71/88/73/1384718873.db2.gz IMBJDACBVBXZEG-MDMHHNQBSA-N 2 2 332.463 3.241 20 0 EGADLP CO[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1F ZINC001172068457 1384718877 /nfs/dbraw/zinc/71/88/77/1384718877.db2.gz IMBJDACBVBXZEG-MDMHHNQBSA-N 2 2 332.463 3.241 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113380 1384731829 /nfs/dbraw/zinc/73/18/29/1384731829.db2.gz IQOXYKHHCYELKY-DBOLQNLKSA-N 2 2 345.506 3.347 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172113380 1384731833 /nfs/dbraw/zinc/73/18/33/1384731833.db2.gz IQOXYKHHCYELKY-DBOLQNLKSA-N 2 2 345.506 3.347 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172113380 1384731838 /nfs/dbraw/zinc/73/18/38/1384731838.db2.gz IQOXYKHHCYELKY-DBOLQNLKSA-N 2 2 345.506 3.347 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172113380 1384731842 /nfs/dbraw/zinc/73/18/42/1384731842.db2.gz IQOXYKHHCYELKY-DBOLQNLKSA-N 2 2 345.506 3.347 20 0 EGADLP CC(C)COCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172457460 1384797254 /nfs/dbraw/zinc/79/72/54/1384797254.db2.gz AKLQTXSETYZANC-CJNGLKHVSA-N 2 2 343.309 3.490 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621802 1384820936 /nfs/dbraw/zinc/82/09/36/1384820936.db2.gz IQLLTSGQPJWCNA-AEFFLSMTSA-N 2 2 327.428 3.036 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001172621802 1384820939 /nfs/dbraw/zinc/82/09/39/1384820939.db2.gz IQLLTSGQPJWCNA-AEFFLSMTSA-N 2 2 327.428 3.036 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172749717 1384843181 /nfs/dbraw/zinc/84/31/81/1384843181.db2.gz CEECTMCOSCXKPV-BRWVUGGUSA-N 2 2 333.476 3.278 20 0 EGADLP COCC[N@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172853218 1384865311 /nfs/dbraw/zinc/86/53/11/1384865311.db2.gz KEIMBYLPZOJFHD-AWEZNQCLSA-N 2 2 342.886 3.453 20 0 EGADLP COCC[N@@H+]([C@@H](C)Cc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC001172853218 1384865314 /nfs/dbraw/zinc/86/53/14/1384865314.db2.gz KEIMBYLPZOJFHD-AWEZNQCLSA-N 2 2 342.886 3.453 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CN1C(=O)OC(C)(C)C ZINC001173065403 1384905445 /nfs/dbraw/zinc/90/54/45/1384905445.db2.gz VNSVSHIURURLOZ-HOCLYGCPSA-N 2 2 344.459 3.212 20 0 EGADLP CCCOC1CCC([NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001173097302 1384913057 /nfs/dbraw/zinc/91/30/57/1384913057.db2.gz BPYGAKJVTNGTTH-IGBVOLGGSA-N 2 2 343.515 3.183 20 0 EGADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001173712635 1385007040 /nfs/dbraw/zinc/00/70/40/1385007040.db2.gz SBHCKDSDWRMBBX-DLBZAZTESA-N 2 2 332.488 3.114 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174587642 1385122966 /nfs/dbraw/zinc/12/29/66/1385122966.db2.gz GKEZFCSVPHUOGH-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001175501843 1385312984 /nfs/dbraw/zinc/31/29/84/1385312984.db2.gz GHPUYJALELNJHQ-ZWKOTPCHSA-N 2 2 342.487 3.299 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175872895 1385427094 /nfs/dbraw/zinc/42/70/94/1385427094.db2.gz IFKCQHCXJIQJPC-SJORKVTESA-N 2 2 342.487 3.286 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881222 1385428787 /nfs/dbraw/zinc/42/87/87/1385428787.db2.gz LQRJPWALCDPQCZ-AWEZNQCLSA-N 2 2 348.878 3.070 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)c1ccccc1F ZINC001175881364 1385429025 /nfs/dbraw/zinc/42/90/25/1385429025.db2.gz OKEFBTFSJMJMNS-LSDHHAIUSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175887917 1385430169 /nfs/dbraw/zinc/43/01/69/1385430169.db2.gz FJYJIMKGSVBECH-AWEZNQCLSA-N 2 2 348.878 3.070 20 0 EGADLP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317854103 1385537037 /nfs/dbraw/zinc/53/70/37/1385537037.db2.gz ORZYOMNJUYYNSN-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317854103 1385537043 /nfs/dbraw/zinc/53/70/43/1385537043.db2.gz ORZYOMNJUYYNSN-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176351002 1385559580 /nfs/dbraw/zinc/55/95/80/1385559580.db2.gz ODQXHKHYLONIAW-HNNXBMFYSA-N 2 2 332.492 3.026 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CC1=CCCCC1 ZINC001176351003 1385559873 /nfs/dbraw/zinc/55/98/73/1385559873.db2.gz ODQXHKHYLONIAW-OAHLLOKOSA-N 2 2 332.492 3.026 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176391765 1385574269 /nfs/dbraw/zinc/57/42/69/1385574269.db2.gz HHDKTSAUSMGISR-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CCCn1cc[nH+]c1 ZINC001176809837 1385709808 /nfs/dbraw/zinc/70/98/08/1385709808.db2.gz DRMIUJGADNBOIX-QGZVFWFLSA-N 2 2 340.487 3.068 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC001318519085 1385733085 /nfs/dbraw/zinc/73/30/85/1385733085.db2.gz ZWPMSRAJTNJUKS-UHFFFAOYSA-N 2 2 347.300 3.242 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001698615968 1406249288 /nfs/dbraw/zinc/24/92/88/1406249288.db2.gz ILCJYANKBKSLMO-IRXDYDNUSA-N 2 2 346.450 3.035 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC001177278539 1385894308 /nfs/dbraw/zinc/89/43/08/1385894308.db2.gz ZCKDILBWSXVWBI-IAGOWNOFSA-N 2 2 337.552 3.266 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC001177278539 1385894313 /nfs/dbraw/zinc/89/43/13/1385894313.db2.gz ZCKDILBWSXVWBI-IAGOWNOFSA-N 2 2 337.552 3.266 20 0 EGADLP CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177379182 1385935668 /nfs/dbraw/zinc/93/56/68/1385935668.db2.gz UZXRRWNLSIVIKU-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001177412985 1385946871 /nfs/dbraw/zinc/94/68/71/1385946871.db2.gz MSFBMOQYTKPRDI-QGZVFWFLSA-N 2 2 346.519 3.238 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001177431073 1385953560 /nfs/dbraw/zinc/95/35/60/1385953560.db2.gz IURYQNXYKKEUFH-KRWDZBQOSA-N 2 2 334.508 3.243 20 0 EGADLP CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431074 1385953607 /nfs/dbraw/zinc/95/36/07/1385953607.db2.gz IURYQNXYKKEUFH-QGZVFWFLSA-N 2 2 334.508 3.243 20 0 EGADLP CCC(CC)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448393 1385959693 /nfs/dbraw/zinc/95/96/93/1385959693.db2.gz LKWRNTCCHWPZEW-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CC/C=C\CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448685 1385960223 /nfs/dbraw/zinc/96/02/23/1385960223.db2.gz RSFKGKCXQIXEMP-ARJAWSKDSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)CCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001177492910 1385978088 /nfs/dbraw/zinc/97/80/88/1385978088.db2.gz PEQYUXPGVRIFKW-UHFFFAOYSA-N 2 2 348.535 3.318 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001319503669 1386150470 /nfs/dbraw/zinc/15/04/70/1386150470.db2.gz VVXMKOHHTRVDJV-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccccc3Cl)[nH+]c2)C1 ZINC001178231730 1386166678 /nfs/dbraw/zinc/16/66/78/1386166678.db2.gz IJOKZKJGRPFCBM-MRXNPFEDSA-N 2 2 330.863 3.487 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCC[NH2+]CC[C@@H](C)F)ccn12 ZINC001178483977 1386231875 /nfs/dbraw/zinc/23/18/75/1386231875.db2.gz NDMHAGXHBNAJMN-OAHLLOKOSA-N 2 2 348.466 3.271 20 0 EGADLP O=C(NCCCCCC[NH2+]CCC1CC1)c1cccc2[nH+]ccn21 ZINC001179010248 1386375115 /nfs/dbraw/zinc/37/51/15/1386375115.db2.gz XEUXIMWKYQXQMS-UHFFFAOYSA-N 2 2 328.460 3.014 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001179097991 1386400062 /nfs/dbraw/zinc/40/00/62/1386400062.db2.gz XFDCYWXYCDCCSQ-UHFFFAOYSA-N 2 2 346.519 3.119 20 0 EGADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CC1CCCCC1 ZINC001179180333 1386419664 /nfs/dbraw/zinc/41/96/64/1386419664.db2.gz SFSYAVVLZBSCCO-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179630051 1386535546 /nfs/dbraw/zinc/53/55/46/1386535546.db2.gz HRHJZDVFOVEASM-IFOCYFHOSA-N 2 2 346.519 3.146 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179776724 1386580523 /nfs/dbraw/zinc/58/05/23/1386580523.db2.gz GOVBREFLZUQIHY-QGZVFWFLSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179776724 1386580529 /nfs/dbraw/zinc/58/05/29/1386580529.db2.gz GOVBREFLZUQIHY-QGZVFWFLSA-N 2 2 348.535 3.435 20 0 EGADLP CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001179840405 1386603881 /nfs/dbraw/zinc/60/38/81/1386603881.db2.gz FSGJDMBRHCCGRX-BXWFABGCSA-N 2 2 340.471 3.111 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CCC1CCCCC1 ZINC001180065681 1386685325 /nfs/dbraw/zinc/68/53/25/1386685325.db2.gz XPCXTUHDDZUZLY-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001180469685 1386807334 /nfs/dbraw/zinc/80/73/34/1386807334.db2.gz COGAZCUIYQVMTO-OALUTQOASA-N 2 2 348.535 3.366 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)c1ccccc1F ZINC001180478812 1386809582 /nfs/dbraw/zinc/80/95/82/1386809582.db2.gz ZDVMCUNOPNMQDW-MRXNPFEDSA-N 2 2 346.450 3.050 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181902760 1387073565 /nfs/dbraw/zinc/07/35/65/1387073565.db2.gz AGWFJAHYFVNDCF-BXTJHSDWSA-N 2 2 342.487 3.297 20 0 EGADLP CCCC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181903962 1387073583 /nfs/dbraw/zinc/07/35/83/1387073583.db2.gz NERAPIDCNVUONY-AUUYWEPGSA-N 2 2 328.460 3.051 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001698713301 1406355293 /nfs/dbraw/zinc/35/52/93/1406355293.db2.gz USXLFRXJHJLJMH-SZMVWBNQSA-N 2 2 334.508 3.287 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001333753536 1390393200 /nfs/dbraw/zinc/39/32/00/1390393200.db2.gz KPGFEPYTSJAYBF-INIZCTEOSA-N 2 2 325.456 3.200 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001333753536 1390393202 /nfs/dbraw/zinc/39/32/02/1390393202.db2.gz KPGFEPYTSJAYBF-INIZCTEOSA-N 2 2 325.456 3.200 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CCCC(C)(C)C)C(=O)CCCn1cc[nH+]c1 ZINC001488704864 1391706297 /nfs/dbraw/zinc/70/62/97/1391706297.db2.gz YUIQSWMLHMPJQA-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CCCC(C)(C)C)C(=O)CCCn1cc[nH+]c1 ZINC001488704864 1391706302 /nfs/dbraw/zinc/70/63/02/1391706302.db2.gz YUIQSWMLHMPJQA-KRWDZBQOSA-N 2 2 334.508 3.022 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001480616571 1392821559 /nfs/dbraw/zinc/82/15/59/1392821559.db2.gz VFDICTCQQNACST-GINYUPMKSA-N 2 2 346.434 3.080 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001698874481 1406597220 /nfs/dbraw/zinc/59/72/20/1406597220.db2.gz UPYQLWYSCFOQBK-QFBILLFUSA-N 2 2 342.487 3.142 20 0 EGADLP CC[C@@H]([NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)c1ccc(F)cc1 ZINC001481285775 1393158471 /nfs/dbraw/zinc/15/84/71/1393158471.db2.gz QIFCQJPABQIUSH-CRAIPNDOSA-N 2 2 346.450 3.173 20 0 EGADLP C[C@H](CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001490419027 1394220269 /nfs/dbraw/zinc/22/02/69/1394220269.db2.gz XPNYNHFWOPUFHT-QGZVFWFLSA-N 2 2 346.519 3.337 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001491192081 1394464750 /nfs/dbraw/zinc/46/47/50/1394464750.db2.gz YVRKDRJCAXKECX-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484759511 1395511353 /nfs/dbraw/zinc/51/13/53/1395511353.db2.gz GKQJQJMILSPRBM-DLBZAZTESA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484759511 1395511355 /nfs/dbraw/zinc/51/13/55/1395511355.db2.gz GKQJQJMILSPRBM-DLBZAZTESA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484759511 1395511357 /nfs/dbraw/zinc/51/13/57/1395511357.db2.gz GKQJQJMILSPRBM-DLBZAZTESA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484759511 1395511359 /nfs/dbraw/zinc/51/13/59/1395511359.db2.gz GKQJQJMILSPRBM-DLBZAZTESA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761536 1395515068 /nfs/dbraw/zinc/51/50/68/1395515068.db2.gz WUFDVIIDOCLTEP-SFHVURJKSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761536 1395515071 /nfs/dbraw/zinc/51/50/71/1395515071.db2.gz WUFDVIIDOCLTEP-SFHVURJKSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496097170 1396601134 /nfs/dbraw/zinc/60/11/34/1396601134.db2.gz ZMQDRMGECATRGM-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699026012 1406862255 /nfs/dbraw/zinc/86/22/55/1406862255.db2.gz BODGYYFXKCZYQI-SJORKVTESA-N 2 2 342.487 3.259 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C ZINC001690459561 1404590497 /nfs/dbraw/zinc/59/04/97/1404590497.db2.gz QOYGQHRIORGLMO-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C ZINC001690459561 1404590500 /nfs/dbraw/zinc/59/05/00/1404590500.db2.gz QOYGQHRIORGLMO-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H]1CC[C@@H](C)O1 ZINC001691187609 1405125948 /nfs/dbraw/zinc/12/59/48/1405125948.db2.gz ODJJHXRQDKGYOE-AEFFLSMTSA-N 2 2 347.503 3.016 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@@H]1CC[C@@H](C)O1 ZINC001691187609 1405125949 /nfs/dbraw/zinc/12/59/49/1405125949.db2.gz ODJJHXRQDKGYOE-AEFFLSMTSA-N 2 2 347.503 3.016 20 0 EGADLP C[C@H](CC(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC001691495749 1405303319 /nfs/dbraw/zinc/30/33/19/1405303319.db2.gz WDPYBONKUAHQRA-HUUCEWRRSA-N 2 2 348.878 3.297 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]C/C=C/Cl ZINC001699608235 1412972677 /nfs/dbraw/zinc/97/26/77/1412972677.db2.gz VBDMYHSXYNJDQB-YYAKZPHOSA-N 2 2 346.862 3.146 20 0 EGADLP COC[C@H](C)[NH2+][C@@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001700501533 1414149790 /nfs/dbraw/zinc/14/97/90/1414149790.db2.gz DVIVSQMQRGICNH-WMZOPIPTSA-N 2 2 349.519 3.118 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)c1 ZINC001700994916 1414642639 /nfs/dbraw/zinc/64/26/39/1414642639.db2.gz MPJNJDFVWBZEBZ-DOTOQJQBSA-N 2 2 342.487 3.142 20 0 EGADLP CCCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](C(C)C)CC1 ZINC001713100740 1417652868 /nfs/dbraw/zinc/65/28/68/1417652868.db2.gz HILIMVBECIGNIK-UHFFFAOYSA-N 2 2 328.460 3.059 20 0 EGADLP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131507 1417705809 /nfs/dbraw/zinc/70/58/09/1417705809.db2.gz GHMLKYAPPFHHKI-XSHSDMCLSA-N 2 2 346.862 3.099 20 0 EGADLP C[N@@H+](C/C=C\Cl)C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131507 1417705810 /nfs/dbraw/zinc/70/58/10/1417705810.db2.gz GHMLKYAPPFHHKI-XSHSDMCLSA-N 2 2 346.862 3.099 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001713320400 1417945366 /nfs/dbraw/zinc/94/53/66/1417945366.db2.gz UCGACJHBKPDPIB-OLZOCXBDSA-N 2 2 340.402 3.171 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@H]([NH2+]C/C=C/Cl)C3)ccn12 ZINC001713372952 1417983509 /nfs/dbraw/zinc/98/35/09/1417983509.db2.gz LLJWOTUACSDQDI-HVXFVWOWSA-N 2 2 346.862 3.026 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001713383271 1417994143 /nfs/dbraw/zinc/99/41/43/1417994143.db2.gz XUMPNKSINNQDKH-MOPGFXCFSA-N 2 2 346.519 3.261 20 0 EGADLP CC[C@H](C(=O)NC1C[NH+]([C@H](CC)c2ccc(F)cc2)C1)[NH+](CC)CC ZINC001713840527 1418637779 /nfs/dbraw/zinc/63/77/79/1418637779.db2.gz XZYCFVGZMWCBIJ-RTBURBONSA-N 2 2 349.494 3.198 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001713850518 1418646375 /nfs/dbraw/zinc/64/63/75/1418646375.db2.gz RKIQRCNFLZFWFV-QGZVFWFLSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001714136426 1418939952 /nfs/dbraw/zinc/93/99/52/1418939952.db2.gz ZRELDXVZPGXPNW-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001714136426 1418939953 /nfs/dbraw/zinc/93/99/53/1418939953.db2.gz ZRELDXVZPGXPNW-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153462 1418961400 /nfs/dbraw/zinc/96/14/00/1418961400.db2.gz HWMXIQCHLOZDBV-WMZOPIPTSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153462 1418961402 /nfs/dbraw/zinc/96/14/02/1418961402.db2.gz HWMXIQCHLOZDBV-WMZOPIPTSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153459 1418961471 /nfs/dbraw/zinc/96/14/71/1418961471.db2.gz HWMXIQCHLOZDBV-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001714153459 1418961474 /nfs/dbraw/zinc/96/14/74/1418961474.db2.gz HWMXIQCHLOZDBV-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548884 1419275557 /nfs/dbraw/zinc/27/55/57/1419275557.db2.gz UJQGLAQQQSMISV-JKSUJKDBSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@H]1CCC[C@H](CC[N@@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548884 1419275559 /nfs/dbraw/zinc/27/55/59/1419275559.db2.gz UJQGLAQQQSMISV-JKSUJKDBSA-N 2 2 342.487 3.441 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001715775860 1420339169 /nfs/dbraw/zinc/33/91/69/1420339169.db2.gz YUJZOBWTQXOKPO-ZDUSSCGKSA-N 2 2 348.878 3.113 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487656 1420706984 /nfs/dbraw/zinc/70/69/84/1420706984.db2.gz UYGCHKCHECXPKX-HZPDHXFCSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487656 1420706987 /nfs/dbraw/zinc/70/69/87/1420706987.db2.gz UYGCHKCHECXPKX-HZPDHXFCSA-N 2 2 330.476 3.067 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001716514447 1420744558 /nfs/dbraw/zinc/74/45/58/1420744558.db2.gz BYBWCZWXCKEQFQ-MOPGFXCFSA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001733764341 1429984163 /nfs/dbraw/zinc/98/41/63/1429984163.db2.gz FWEZKTSWHRKUDB-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001733764341 1429984165 /nfs/dbraw/zinc/98/41/65/1429984165.db2.gz FWEZKTSWHRKUDB-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH+]cn1C ZINC001722913244 1424243421 /nfs/dbraw/zinc/24/34/21/1424243421.db2.gz HTZXYVMUFJRGKE-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH+]cn1C ZINC001722913244 1424243424 /nfs/dbraw/zinc/24/34/24/1424243424.db2.gz HTZXYVMUFJRGKE-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001724859109 1425240525 /nfs/dbraw/zinc/24/05/25/1425240525.db2.gz WRCPPDBBNQHWTR-IBGZPJMESA-N 2 2 342.487 3.192 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001724859109 1425240528 /nfs/dbraw/zinc/24/05/28/1425240528.db2.gz WRCPPDBBNQHWTR-IBGZPJMESA-N 2 2 342.487 3.192 20 0 EGADLP CCC[N@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001725025180 1425441921 /nfs/dbraw/zinc/44/19/21/1425441921.db2.gz CPBZDVXYGUKIHO-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CCC[N@@H+](CC)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001725025180 1425441928 /nfs/dbraw/zinc/44/19/28/1425441928.db2.gz CPBZDVXYGUKIHO-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170400 1425678406 /nfs/dbraw/zinc/67/84/06/1425678406.db2.gz BXIQJBSMXYNLIL-CABCVRRESA-N 2 2 330.476 3.295 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001725170400 1425678410 /nfs/dbraw/zinc/67/84/10/1425678410.db2.gz BXIQJBSMXYNLIL-CABCVRRESA-N 2 2 330.476 3.295 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731556802 1427583561 /nfs/dbraw/zinc/58/35/61/1427583561.db2.gz CFDCUXPYWSFJBH-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731556802 1427583564 /nfs/dbraw/zinc/58/35/64/1427583564.db2.gz CFDCUXPYWSFJBH-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731620036 1427668508 /nfs/dbraw/zinc/66/85/08/1427668508.db2.gz CIYWXFHMLUPQMR-HUUCEWRRSA-N 2 2 342.487 3.105 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CCc2ccccc2)c(C)[nH+]1 ZINC001734336661 1438058635 /nfs/dbraw/zinc/05/86/35/1438058635.db2.gz YSTZNAAYJOZDIF-KRWDZBQOSA-N 2 2 339.483 3.300 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001752086101 1440139519 /nfs/dbraw/zinc/13/95/19/1440139519.db2.gz XGVUYGPVZTYJCF-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001752086101 1440139521 /nfs/dbraw/zinc/13/95/21/1440139521.db2.gz XGVUYGPVZTYJCF-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752515571 1440191223 /nfs/dbraw/zinc/19/12/23/1440191223.db2.gz AOUOQQFHXKNXTQ-MSOLQXFVSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752515571 1440191224 /nfs/dbraw/zinc/19/12/24/1440191224.db2.gz AOUOQQFHXKNXTQ-MSOLQXFVSA-N 2 2 334.508 3.051 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001752642035 1440197625 /nfs/dbraw/zinc/19/76/25/1440197625.db2.gz MVURAJNMFUQNTE-IYARVYRRSA-N 2 2 348.450 3.046 20 0 EGADLP CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706120 1440202590 /nfs/dbraw/zinc/20/25/90/1440202590.db2.gz DMSHRADNOIALPM-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706120 1440202591 /nfs/dbraw/zinc/20/25/91/1440202591.db2.gz DMSHRADNOIALPM-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(C)C1 ZINC001753146414 1440324721 /nfs/dbraw/zinc/32/47/21/1440324721.db2.gz VDHNZLQTHNEZIS-UHFFFAOYSA-N 2 2 331.504 3.495 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(C)C1 ZINC001753146414 1440324722 /nfs/dbraw/zinc/32/47/22/1440324722.db2.gz VDHNZLQTHNEZIS-UHFFFAOYSA-N 2 2 331.504 3.495 20 0 EGADLP Cc1cccn2cc(CC(=O)NCCC[N@@H+](CC(C)C)C(C)C)[nH+]c12 ZINC001753293823 1440351158 /nfs/dbraw/zinc/35/11/58/1440351158.db2.gz WUTIYWRIRGOVCT-UHFFFAOYSA-N 2 2 344.503 3.058 20 0 EGADLP Cc1cccn2cc(CC(=O)NCCC[N@H+](CC(C)C)C(C)C)[nH+]c12 ZINC001753293823 1440351159 /nfs/dbraw/zinc/35/11/59/1440351159.db2.gz WUTIYWRIRGOVCT-UHFFFAOYSA-N 2 2 344.503 3.058 20 0 EGADLP C[C@@H](CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001753411568 1440393287 /nfs/dbraw/zinc/39/32/87/1440393287.db2.gz RNIRRRNQDQMWMT-KRWDZBQOSA-N 2 2 346.519 3.243 20 0 EGADLP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001753518103 1440427849 /nfs/dbraw/zinc/42/78/49/1440427849.db2.gz BDTXNXTVCWEUNF-HXUWFJFHSA-N 2 2 340.471 3.097 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001753535103 1440432225 /nfs/dbraw/zinc/43/22/25/1440432225.db2.gz CTASLEJNCPGVJT-FRWFVBGZSA-N 2 2 346.519 3.272 20 0 EGADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@H](C)c1ccccc1Cl ZINC001753626367 1440451348 /nfs/dbraw/zinc/45/13/48/1440451348.db2.gz FUONWIUGPYYHDG-LSDHHAIUSA-N 2 2 348.878 3.030 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCC2)C1 ZINC001753669572 1440461443 /nfs/dbraw/zinc/46/14/43/1440461443.db2.gz WXCHGZXWYZGKKA-IRXDYDNUSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[N@H+](C)CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001753821316 1440496205 /nfs/dbraw/zinc/49/62/05/1440496205.db2.gz YOSGVANJCGEDFO-UHFFFAOYSA-N 2 2 342.487 3.164 20 0 EGADLP CC(C)C[N@@H+](C)CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001753821316 1440496206 /nfs/dbraw/zinc/49/62/06/1440496206.db2.gz YOSGVANJCGEDFO-UHFFFAOYSA-N 2 2 342.487 3.164 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCC1CCCCCC1 ZINC001753843427 1440503411 /nfs/dbraw/zinc/50/34/11/1440503411.db2.gz RJFPJNIBUYWVOV-KRWDZBQOSA-N 2 2 334.508 3.043 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001753864435 1440513164 /nfs/dbraw/zinc/51/31/64/1440513164.db2.gz KRTPMVJHRIECQL-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001753864435 1440513165 /nfs/dbraw/zinc/51/31/65/1440513165.db2.gz KRTPMVJHRIECQL-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@@H](CC[NH2+]CC1CCC(C)CC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001753983260 1440528223 /nfs/dbraw/zinc/52/82/23/1440528223.db2.gz XJYLLOLELDDJDK-CGZBRXJRSA-N 2 2 342.487 3.259 20 0 EGADLP C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754272085 1440561615 /nfs/dbraw/zinc/56/16/15/1440561615.db2.gz ABXRKFNYYHXAKS-AWEZNQCLSA-N 2 2 328.460 3.241 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001754345284 1440589657 /nfs/dbraw/zinc/58/96/57/1440589657.db2.gz IYVVQPVZRBSPOO-OALUTQOASA-N 2 2 346.519 3.118 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H](C[NH2+]C(C)C)C1CCCC1)n1cc[nH+]c1 ZINC001754651223 1440651977 /nfs/dbraw/zinc/65/19/77/1440651977.db2.gz VBIFRZHWZGVAAT-QZTJIDSGSA-N 2 2 334.508 3.143 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677312 1440660520 /nfs/dbraw/zinc/66/05/20/1440660520.db2.gz DGBFOUDSBZYEHN-UYAOXDASSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001754677312 1440660521 /nfs/dbraw/zinc/66/05/21/1440660521.db2.gz DGBFOUDSBZYEHN-UYAOXDASSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CC2CCCCCC2)C1 ZINC001754730093 1440678660 /nfs/dbraw/zinc/67/86/60/1440678660.db2.gz COBOHQBEPWNFPR-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CC2CCCCCC2)C1 ZINC001754730093 1440678661 /nfs/dbraw/zinc/67/86/61/1440678661.db2.gz COBOHQBEPWNFPR-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001754918003 1440708913 /nfs/dbraw/zinc/70/89/13/1440708913.db2.gz BERHXUOGAYJUEN-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001754918003 1440708914 /nfs/dbraw/zinc/70/89/14/1440708914.db2.gz BERHXUOGAYJUEN-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP CC[C@@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754923027 1440709559 /nfs/dbraw/zinc/70/95/59/1440709559.db2.gz DWMUNUKXNSPPGM-IAGOWNOFSA-N 2 2 335.467 3.197 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001755239737 1440789291 /nfs/dbraw/zinc/78/92/91/1440789291.db2.gz GQUAPKBIKXIIDQ-IAGOWNOFSA-N 2 2 348.535 3.380 20 0 EGADLP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001755267615 1440796706 /nfs/dbraw/zinc/79/67/06/1440796706.db2.gz CSUZSZJTGFKAFW-SJORKVTESA-N 2 2 346.519 3.117 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307395 1440811546 /nfs/dbraw/zinc/81/15/46/1440811546.db2.gz DVYHRLRMJWWLSR-FYCOFBDGSA-N 2 2 328.460 3.131 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001755307395 1440811547 /nfs/dbraw/zinc/81/15/47/1440811547.db2.gz DVYHRLRMJWWLSR-FYCOFBDGSA-N 2 2 328.460 3.131 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCCCCC1 ZINC001755343233 1440826087 /nfs/dbraw/zinc/82/60/87/1440826087.db2.gz RKNFXRUTBLQPJZ-GOSISDBHSA-N 2 2 348.535 3.385 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC001755370286 1440837014 /nfs/dbraw/zinc/83/70/14/1440837014.db2.gz HJQCYSXCBNRQND-IBGZPJMESA-N 2 2 344.503 3.134 20 0 EGADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCC1=CCCCC1 ZINC001755370286 1440837015 /nfs/dbraw/zinc/83/70/15/1440837015.db2.gz HJQCYSXCBNRQND-IBGZPJMESA-N 2 2 344.503 3.134 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001755456340 1440855512 /nfs/dbraw/zinc/85/55/12/1440855512.db2.gz SKHCFCTVXLLXNF-SNAWJCMRSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001755456340 1440855513 /nfs/dbraw/zinc/85/55/13/1440855513.db2.gz SKHCFCTVXLLXNF-SNAWJCMRSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001755456340 1440855514 /nfs/dbraw/zinc/85/55/14/1440855514.db2.gz SKHCFCTVXLLXNF-SNAWJCMRSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C/CC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001755456340 1440855515 /nfs/dbraw/zinc/85/55/15/1440855515.db2.gz SKHCFCTVXLLXNF-SNAWJCMRSA-N 2 2 344.503 3.013 20 0 EGADLP CCc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001755607182 1440886011 /nfs/dbraw/zinc/88/60/11/1440886011.db2.gz QHXQFDPXBXOHGP-IAGOWNOFSA-N 2 2 342.487 3.033 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C)c(C)[nH+]1 ZINC001755828276 1440928042 /nfs/dbraw/zinc/92/80/42/1440928042.db2.gz DNWAXDOVPBVRBM-ZPIQOJFGSA-N 2 2 337.895 3.493 20 0 EGADLP Cc1cccn2c(CN(Cc3ccco3)C3CC[NH+](C)CC3)c[nH+]c12 ZINC000368132612 168315930 /nfs/dbraw/zinc/31/59/30/168315930.db2.gz GQMWDTJJUGQJAQ-UHFFFAOYSA-N 2 2 338.455 3.332 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000368232534 168329561 /nfs/dbraw/zinc/32/95/61/168329561.db2.gz BQSCPKQXOPZDNO-JEDBISTDSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000368232534 168329563 /nfs/dbraw/zinc/32/95/63/168329563.db2.gz BQSCPKQXOPZDNO-JEDBISTDSA-N 2 2 340.471 3.329 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000368531598 168368847 /nfs/dbraw/zinc/36/88/47/168368847.db2.gz WBOGDAFZZORVLV-NRFANRHFSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368531598 168368849 /nfs/dbraw/zinc/36/88/49/168368849.db2.gz WBOGDAFZZORVLV-NRFANRHFSA-N 3 2 329.532 3.363 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cscc2Br)C1 ZINC000520459626 548023244 /nfs/dbraw/zinc/02/32/44/548023244.db2.gz AESXPQLTAQLMFP-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459626 548023230 /nfs/dbraw/zinc/02/32/30/548023230.db2.gz AESXPQLTAQLMFP-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cscc2Br)C1 ZINC000520459626 548023235 /nfs/dbraw/zinc/02/32/35/548023235.db2.gz AESXPQLTAQLMFP-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cscc2Br)C1 ZINC000520459626 548023241 /nfs/dbraw/zinc/02/32/41/548023241.db2.gz AESXPQLTAQLMFP-BXUZGUMPSA-N 2 2 329.307 3.427 20 0 EGADLP CCc1ccc([C@@H](COC)[NH2+]C2CCN(c3cccc[nH+]3)CC2)o1 ZINC000165271126 529711465 /nfs/dbraw/zinc/71/14/65/529711465.db2.gz UUBUWNMPNINCJY-QGZVFWFLSA-N 2 2 329.444 3.183 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@@H+]1C1CC1 ZINC000177939876 232037651 /nfs/dbraw/zinc/03/76/51/232037651.db2.gz FLKYDXBSUUKNPL-ZSOFBXJNSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@H+]1C1CC1 ZINC000177939876 232037654 /nfs/dbraw/zinc/03/76/54/232037654.db2.gz FLKYDXBSUUKNPL-ZSOFBXJNSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181086419 234082249 /nfs/dbraw/zinc/08/22/49/234082249.db2.gz XGSDVJXXZHOMLV-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181086419 234082250 /nfs/dbraw/zinc/08/22/50/234082250.db2.gz XGSDVJXXZHOMLV-OAHLLOKOSA-N 2 2 348.878 3.078 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H]1C ZINC000354123838 291121872 /nfs/dbraw/zinc/12/18/72/291121872.db2.gz CZHREYIBILJAQD-BVBHFADKSA-N 2 2 332.488 3.165 20 0 EGADLP Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)no1 ZINC000129701374 223082201 /nfs/dbraw/zinc/08/22/01/223082201.db2.gz ZBAPVEDBWDKRFN-NVXWUHKLSA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)no1 ZINC000129701374 223082205 /nfs/dbraw/zinc/08/22/05/223082205.db2.gz ZBAPVEDBWDKRFN-NVXWUHKLSA-N 2 2 337.427 3.325 20 0 EGADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccsc1 ZINC000131688030 223258163 /nfs/dbraw/zinc/25/81/63/223258163.db2.gz RUQZSHCRKKHOTD-SFHVURJKSA-N 2 2 327.453 3.180 20 0 EGADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1)c1ccsc1 ZINC000131688030 223258166 /nfs/dbraw/zinc/25/81/66/223258166.db2.gz RUQZSHCRKKHOTD-SFHVURJKSA-N 2 2 327.453 3.180 20 0 EGADLP COCCN(C)c1ccc(CNc2ccc([NH+](C)C)c(C)c2)c[nH+]1 ZINC000191398863 239090048 /nfs/dbraw/zinc/09/00/48/239090048.db2.gz KTCKHAGWNGPDBL-UHFFFAOYSA-N 2 2 328.460 3.151 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000677751238 549326117 /nfs/dbraw/zinc/32/61/17/549326117.db2.gz SOBKRPVYLRAVNF-RBUKOAKNSA-N 2 2 342.483 3.073 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000677751238 549326120 /nfs/dbraw/zinc/32/61/20/549326120.db2.gz SOBKRPVYLRAVNF-RBUKOAKNSA-N 2 2 342.483 3.073 20 0 EGADLP Oc1cccc2c1CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000191638698 239228657 /nfs/dbraw/zinc/22/86/57/239228657.db2.gz JIFBNPOUURYZFA-FQEVSTJZSA-N 2 2 337.467 3.419 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000132130589 223303665 /nfs/dbraw/zinc/30/36/65/223303665.db2.gz JKSLGELLQGWMMT-UHFFFAOYSA-N 3 2 335.511 3.010 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000229957737 242221005 /nfs/dbraw/zinc/22/10/05/242221005.db2.gz QWOGFXPDWIVEAT-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000229957737 242221012 /nfs/dbraw/zinc/22/10/12/242221012.db2.gz QWOGFXPDWIVEAT-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000229957737 242221018 /nfs/dbraw/zinc/22/10/18/242221018.db2.gz QWOGFXPDWIVEAT-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000229957737 242221024 /nfs/dbraw/zinc/22/10/24/242221024.db2.gz QWOGFXPDWIVEAT-YOEHRIQHSA-N 2 2 335.879 3.003 20 0 EGADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000236711798 242329551 /nfs/dbraw/zinc/32/95/51/242329551.db2.gz HZMLXSJRTHGWRK-QGZVFWFLSA-N 2 2 326.444 3.198 20 0 EGADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262579781 245043575 /nfs/dbraw/zinc/04/35/75/245043575.db2.gz LMPOMIYMMRJKRY-IBGZPJMESA-N 2 2 327.428 3.367 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccs1 ZINC000110113625 220017886 /nfs/dbraw/zinc/01/78/86/220017886.db2.gz NGQIVOZAIYFYHA-CQSZACIVSA-N 2 2 331.489 3.243 20 0 EGADLP O=C(NCCC[NH+]1CCCCC1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264928500 247055167 /nfs/dbraw/zinc/05/51/67/247055167.db2.gz WEUKJTYHGCXTMN-UHFFFAOYSA-N 2 2 339.439 3.480 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000266156945 248136992 /nfs/dbraw/zinc/13/69/92/248136992.db2.gz OLIMNSBNRSHCJJ-LBPRGKRZSA-N 2 2 343.393 3.106 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000266115786 248106299 /nfs/dbraw/zinc/10/62/99/248106299.db2.gz IAQUBTJSPWRYQZ-OAHLLOKOSA-N 2 2 331.504 3.385 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000266146969 248129630 /nfs/dbraw/zinc/12/96/30/248129630.db2.gz MPMUZLPGGSUSCP-OAHLLOKOSA-N 2 2 325.456 3.241 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000377615482 169048193 /nfs/dbraw/zinc/04/81/93/169048193.db2.gz MLXZAFVRVBHPBK-KRWDZBQOSA-N 2 2 343.515 3.293 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597604 218234060 /nfs/dbraw/zinc/23/40/60/218234060.db2.gz PENQNPCJOLPTNU-HNNXBMFYSA-N 2 2 328.435 3.134 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597604 218234062 /nfs/dbraw/zinc/23/40/62/218234062.db2.gz PENQNPCJOLPTNU-HNNXBMFYSA-N 2 2 328.435 3.134 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597979 218234686 /nfs/dbraw/zinc/23/46/86/218234686.db2.gz POHKADZTMWFQOX-ZDUSSCGKSA-N 2 2 339.277 3.072 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597979 218234688 /nfs/dbraw/zinc/23/46/88/218234688.db2.gz POHKADZTMWFQOX-ZDUSSCGKSA-N 2 2 339.277 3.072 20 0 EGADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000095421831 218364203 /nfs/dbraw/zinc/36/42/03/218364203.db2.gz ORCNEHQNGZBDOC-QGZVFWFLSA-N 2 2 339.483 3.363 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267435087 251054546 /nfs/dbraw/zinc/05/45/46/251054546.db2.gz NRDWWWDTTWEKBB-GOSISDBHSA-N 2 2 340.471 3.175 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267435087 251054551 /nfs/dbraw/zinc/05/45/51/251054551.db2.gz NRDWWWDTTWEKBB-GOSISDBHSA-N 2 2 340.471 3.175 20 0 EGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268792565 252244515 /nfs/dbraw/zinc/24/45/15/252244515.db2.gz YKDKKZRHLGEDCS-QAPCUYQASA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268792565 252244516 /nfs/dbraw/zinc/24/45/16/252244516.db2.gz YKDKKZRHLGEDCS-QAPCUYQASA-N 2 2 330.497 3.126 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)n1 ZINC000268826499 252275972 /nfs/dbraw/zinc/27/59/72/252275972.db2.gz PMUGXKUPJFSZGN-KRWDZBQOSA-N 2 2 338.499 3.451 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC(F)F ZINC000268811154 252262408 /nfs/dbraw/zinc/26/24/08/252262408.db2.gz KUZDQEAXRXGCEM-NWDGAFQWSA-N 2 2 325.359 3.232 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268835711 252284834 /nfs/dbraw/zinc/28/48/34/252284834.db2.gz SFISWRLGUDCQHS-CHWSQXEVSA-N 2 2 327.457 3.449 20 0 EGADLP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936697 285162800 /nfs/dbraw/zinc/16/28/00/285162800.db2.gz XJUKJFRVKWGJMV-RVSPLBMKSA-N 2 2 328.859 3.487 20 0 EGADLP COCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936697 285162801 /nfs/dbraw/zinc/16/28/01/285162801.db2.gz XJUKJFRVKWGJMV-RVSPLBMKSA-N 2 2 328.859 3.487 20 0 EGADLP CCN(CC)[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000119094463 221242817 /nfs/dbraw/zinc/24/28/17/221242817.db2.gz JQAIODGRARYYAX-SFHVURJKSA-N 2 2 342.487 3.316 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000119778141 221398721 /nfs/dbraw/zinc/39/87/21/221398721.db2.gz LSBZRSQXDNRNLE-OAHLLOKOSA-N 2 2 344.484 3.485 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc[nH+]1 ZINC000119778141 221398724 /nfs/dbraw/zinc/39/87/24/221398724.db2.gz LSBZRSQXDNRNLE-OAHLLOKOSA-N 2 2 344.484 3.485 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000677803937 549334072 /nfs/dbraw/zinc/33/40/72/549334072.db2.gz CBJJYZJESZWFME-SLFFLAALSA-N 2 2 327.516 3.256 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CN1Cc1ccccc1 ZINC000677803937 549334075 /nfs/dbraw/zinc/33/40/75/549334075.db2.gz CBJJYZJESZWFME-SLFFLAALSA-N 2 2 327.516 3.256 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cscn2)C[C@H](C)O1 ZINC000237624280 141010476 /nfs/dbraw/zinc/01/04/76/141010476.db2.gz ARPKKKALYAQEFT-GJZGRUSLSA-N 2 2 331.485 3.042 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CSc4ccccc43)CC2)nc1 ZINC000341264253 141147307 /nfs/dbraw/zinc/14/73/07/141147307.db2.gz CDCGVVUQPYFTNW-GOSISDBHSA-N 2 2 325.481 3.483 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344516028 141167771 /nfs/dbraw/zinc/16/77/71/141167771.db2.gz FDZOHEOSIIMHGU-OZOXKJRCSA-N 2 2 340.467 3.130 20 0 EGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344516028 141167774 /nfs/dbraw/zinc/16/77/74/141167774.db2.gz FDZOHEOSIIMHGU-OZOXKJRCSA-N 2 2 340.467 3.130 20 0 EGADLP COc1cc2c(c(C[NH2+]C[C@H]3CCCn4cc(C)[nH+]c43)c1)O[C@H](C)C2 ZINC000344523256 141168607 /nfs/dbraw/zinc/16/86/07/141168607.db2.gz XACFYBAJYLUOON-HUUCEWRRSA-N 2 2 341.455 3.191 20 0 EGADLP O[C@]1(C[NH2+]Cc2c(F)cccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344522921 141168902 /nfs/dbraw/zinc/16/89/02/141168902.db2.gz IJXXJCJGGNSROA-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP O[C@]1(C[NH2+]Cc2c(F)cccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344522921 141168903 /nfs/dbraw/zinc/16/89/03/141168903.db2.gz IJXXJCJGGNSROA-IBGZPJMESA-N 2 2 348.849 3.206 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)cc1O ZINC000344565392 141173945 /nfs/dbraw/zinc/17/39/45/141173945.db2.gz PJZTYPKHXXKMNL-APWZRJJASA-N 2 2 340.467 3.401 20 0 EGADLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)cc1O ZINC000344565392 141173946 /nfs/dbraw/zinc/17/39/46/141173946.db2.gz PJZTYPKHXXKMNL-APWZRJJASA-N 2 2 340.467 3.401 20 0 EGADLP CCCCOc1cc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000352931192 141270915 /nfs/dbraw/zinc/27/09/15/141270915.db2.gz NCEQSDYSJULGMB-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)ccc1OC ZINC000352931192 141270917 /nfs/dbraw/zinc/27/09/17/141270917.db2.gz NCEQSDYSJULGMB-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1OC ZINC000352931192 141270918 /nfs/dbraw/zinc/27/09/18/141270918.db2.gz NCEQSDYSJULGMB-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1cc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OC ZINC000352931192 141270920 /nfs/dbraw/zinc/27/09/20/141270920.db2.gz NCEQSDYSJULGMB-QZTJIDSGSA-N 2 2 332.488 3.400 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933672 141271523 /nfs/dbraw/zinc/27/15/23/141271523.db2.gz SNILNPKSUUABKR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933672 141271526 /nfs/dbraw/zinc/27/15/26/141271526.db2.gz SNILNPKSUUABKR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933672 141271528 /nfs/dbraw/zinc/27/15/28/141271528.db2.gz SNILNPKSUUABKR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)[C@H]2C1 ZINC000352933672 141271529 /nfs/dbraw/zinc/27/15/29/141271529.db2.gz SNILNPKSUUABKR-GUYCJALGSA-N 2 2 330.863 3.256 20 0 EGADLP Fc1ccc2cc[nH+]c(N3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000354574726 141308515 /nfs/dbraw/zinc/30/85/15/141308515.db2.gz WGKMOELDLIIRMK-UHFFFAOYSA-N 2 2 343.446 3.313 20 0 EGADLP Cc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000359603393 141383358 /nfs/dbraw/zinc/38/33/58/141383358.db2.gz WESKCRRRVOGFDO-UHFFFAOYSA-N 2 2 325.456 3.023 20 0 EGADLP CCSc1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000187798416 144164213 /nfs/dbraw/zinc/16/42/13/144164213.db2.gz UOYKJSKQOHNZFP-UHFFFAOYSA-N 2 2 342.512 3.343 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@@H+]1C ZINC000344687674 144209839 /nfs/dbraw/zinc/20/98/39/144209839.db2.gz UIHFDPWKYHGTLL-AEFFLSMTSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[N@H+]1C ZINC000344687674 144209840 /nfs/dbraw/zinc/20/98/40/144209840.db2.gz UIHFDPWKYHGTLL-AEFFLSMTSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1nc(C)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000344840557 144229364 /nfs/dbraw/zinc/22/93/64/144229364.db2.gz RQVKLELUNMIABE-UHFFFAOYSA-N 2 2 345.516 3.297 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603457 144286728 /nfs/dbraw/zinc/28/67/28/144286728.db2.gz AGIUEQWJNPHAPG-QZTJIDSGSA-N 2 2 330.497 3.077 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603457 144286730 /nfs/dbraw/zinc/28/67/30/144286730.db2.gz AGIUEQWJNPHAPG-QZTJIDSGSA-N 2 2 330.497 3.077 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351715254 144295317 /nfs/dbraw/zinc/29/53/17/144295317.db2.gz IERCKCNJOJFMLO-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351715254 144295318 /nfs/dbraw/zinc/29/53/18/144295318.db2.gz IERCKCNJOJFMLO-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351715254 144295319 /nfs/dbraw/zinc/29/53/19/144295319.db2.gz IERCKCNJOJFMLO-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351715254 144295320 /nfs/dbraw/zinc/29/53/20/144295320.db2.gz IERCKCNJOJFMLO-SFHVURJKSA-N 2 2 339.483 3.021 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351866341 144317852 /nfs/dbraw/zinc/31/78/52/144317852.db2.gz RLOGPMVIMMBDEF-OUCADQQQSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351866341 144317853 /nfs/dbraw/zinc/31/78/53/144317853.db2.gz RLOGPMVIMMBDEF-OUCADQQQSA-N 2 2 334.851 3.044 20 0 EGADLP CSC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878837 144319574 /nfs/dbraw/zinc/31/95/74/144319574.db2.gz SRGDQEPTRPXGRV-IBGZPJMESA-N 2 2 333.545 3.026 20 0 EGADLP CSC[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878837 144319576 /nfs/dbraw/zinc/31/95/76/144319576.db2.gz SRGDQEPTRPXGRV-IBGZPJMESA-N 2 2 333.545 3.026 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1)CCC2 ZINC000363757287 144362718 /nfs/dbraw/zinc/36/27/18/144362718.db2.gz LEMLFZOZEAOARF-DZGCQCFKSA-N 2 2 344.434 3.215 20 0 EGADLP Fc1ccc([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850717 144371753 /nfs/dbraw/zinc/37/17/53/144371753.db2.gz DSNFTKSYNJBRKS-AEFFLSMTSA-N 2 2 328.435 3.245 20 0 EGADLP Fc1ccc([C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000363850717 144371754 /nfs/dbraw/zinc/37/17/54/144371754.db2.gz DSNFTKSYNJBRKS-AEFFLSMTSA-N 2 2 328.435 3.245 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000374496241 144545270 /nfs/dbraw/zinc/54/52/70/144545270.db2.gz LOSCIWUXQHOSLY-RTBURBONSA-N 2 2 334.891 3.462 20 0 EGADLP Cc1cc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000341488039 155319671 /nfs/dbraw/zinc/31/96/71/155319671.db2.gz QTAASOOXARRYLO-INIZCTEOSA-N 2 2 330.863 3.453 20 0 EGADLP Cc1cc(N2CC[NH+](CCc3cccs3)CC2)nc(C2CC2)[nH+]1 ZINC000341493545 155324532 /nfs/dbraw/zinc/32/45/32/155324532.db2.gz XGHKKXGIMFOOJB-UHFFFAOYSA-N 2 2 328.485 3.089 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118842521 152156827 /nfs/dbraw/zinc/15/68/27/152156827.db2.gz QITUMIWXPSGURP-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118842521 152156832 /nfs/dbraw/zinc/15/68/32/152156832.db2.gz QITUMIWXPSGURP-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP C[NH+](CC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842521 152156836 /nfs/dbraw/zinc/15/68/36/152156836.db2.gz QITUMIWXPSGURP-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP C[NH+](CC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842521 152156839 /nfs/dbraw/zinc/15/68/39/152156839.db2.gz QITUMIWXPSGURP-MRXNPFEDSA-N 2 2 325.456 3.052 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119864630 152235586 /nfs/dbraw/zinc/23/55/86/152235586.db2.gz BUFCYVHPWYDHRV-HZSPNIEDSA-N 2 2 325.522 3.164 20 0 EGADLP CCc1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119864630 152235590 /nfs/dbraw/zinc/23/55/90/152235590.db2.gz BUFCYVHPWYDHRV-HZSPNIEDSA-N 2 2 325.522 3.164 20 0 EGADLP COc1cccc(C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CC2)c1 ZINC000121049674 152320614 /nfs/dbraw/zinc/32/06/14/152320614.db2.gz NFZDVYHNOWMXCO-HXUWFJFHSA-N 2 2 339.483 3.381 20 0 EGADLP Fc1ccc(Cn2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cn2)cc1 ZINC000189827099 153099610 /nfs/dbraw/zinc/09/96/10/153099610.db2.gz QFINVKMTULZAQO-UHFFFAOYSA-N 2 2 339.418 3.104 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000190749833 153158347 /nfs/dbraw/zinc/15/83/47/153158347.db2.gz NUVNXPSHHXQNOP-UHFFFAOYSA-N 2 2 349.482 3.461 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000191464161 153198135 /nfs/dbraw/zinc/19/81/35/153198135.db2.gz QPWMPZYDYZEUSO-QGZVFWFLSA-N 2 2 341.503 3.114 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000191464161 153198139 /nfs/dbraw/zinc/19/81/39/153198139.db2.gz QPWMPZYDYZEUSO-QGZVFWFLSA-N 2 2 341.503 3.114 20 0 EGADLP CCOC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000192122562 153242709 /nfs/dbraw/zinc/24/27/09/153242709.db2.gz ZEGVXRWHFBYUHH-KRWDZBQOSA-N 2 2 349.862 3.471 20 0 EGADLP CCOC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000192122562 153242714 /nfs/dbraw/zinc/24/27/14/153242714.db2.gz ZEGVXRWHFBYUHH-KRWDZBQOSA-N 2 2 349.862 3.471 20 0 EGADLP C[C@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000305195548 154089982 /nfs/dbraw/zinc/08/99/82/154089982.db2.gz ZFSIETIYYSBKHC-RTBURBONSA-N 2 2 336.907 3.445 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3OC(F)F)sc2C1 ZINC000337289647 154262095 /nfs/dbraw/zinc/26/20/95/154262095.db2.gz LUUBECFRCXOAEM-YPMHNXCESA-N 2 2 345.459 3.160 20 0 EGADLP CCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000337394855 154331325 /nfs/dbraw/zinc/33/13/25/154331325.db2.gz MWRQYTGDRGTAEI-UHFFFAOYSA-N 2 2 346.394 3.221 20 0 EGADLP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2s1 ZINC000337411942 154339910 /nfs/dbraw/zinc/33/99/10/154339910.db2.gz REEFQULUUPFOFP-KRWDZBQOSA-N 2 2 345.512 3.149 20 0 EGADLP Cc1nc2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2s1 ZINC000337411942 154339912 /nfs/dbraw/zinc/33/99/12/154339912.db2.gz REEFQULUUPFOFP-KRWDZBQOSA-N 2 2 345.512 3.149 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000337458269 154362708 /nfs/dbraw/zinc/36/27/08/154362708.db2.gz QBHISJQGYJECJF-SFHVURJKSA-N 2 2 331.504 3.014 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000337458269 154362710 /nfs/dbraw/zinc/36/27/10/154362710.db2.gz QBHISJQGYJECJF-SFHVURJKSA-N 2 2 331.504 3.014 20 0 EGADLP FC(F)n1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337486608 154377088 /nfs/dbraw/zinc/37/70/88/154377088.db2.gz STBGEZKNKFDZGI-CYBMUJFWSA-N 2 2 335.402 3.191 20 0 EGADLP FC(F)n1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000337486608 154377089 /nfs/dbraw/zinc/37/70/89/154377089.db2.gz STBGEZKNKFDZGI-CYBMUJFWSA-N 2 2 335.402 3.191 20 0 EGADLP Cc1cccc(C[NH+]2CCN(c3cc[nH+]cc3Br)CC2)c1 ZINC000339972901 155056562 /nfs/dbraw/zinc/05/65/62/155056562.db2.gz QQWBVCAGHNYUDR-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308096 156048827 /nfs/dbraw/zinc/04/88/27/156048827.db2.gz HJSZCVWLPIPNIW-ZWKOTPCHSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](CC1CC1)c1ccc(Cl)cc1 ZINC000345308096 156048828 /nfs/dbraw/zinc/04/88/28/156048828.db2.gz HJSZCVWLPIPNIW-ZWKOTPCHSA-N 2 2 349.906 3.111 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000345507013 156129487 /nfs/dbraw/zinc/12/94/87/156129487.db2.gz MFRCWAULXUZWMN-IAGOWNOFSA-N 2 2 340.471 3.173 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000346864294 156169078 /nfs/dbraw/zinc/16/90/78/156169078.db2.gz MQLNAHZUIXMOIM-SOAMZJECSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000346864294 156169082 /nfs/dbraw/zinc/16/90/82/156169082.db2.gz MQLNAHZUIXMOIM-SOAMZJECSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000346864292 156169212 /nfs/dbraw/zinc/16/92/12/156169212.db2.gz MQLNAHZUIXMOIM-JRBPQWBISA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000346864292 156169217 /nfs/dbraw/zinc/16/92/17/156169217.db2.gz MQLNAHZUIXMOIM-JRBPQWBISA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@H]1[NH3+] ZINC000347017490 156248990 /nfs/dbraw/zinc/24/89/90/156248990.db2.gz DQIOVJGYECUTHT-BXKDBHETSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)CC[C@H]1[NH3+] ZINC000347017490 156248994 /nfs/dbraw/zinc/24/89/94/156248994.db2.gz DQIOVJGYECUTHT-BXKDBHETSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349153913 156369879 /nfs/dbraw/zinc/36/98/79/156369879.db2.gz TVSWCNJWQUOYRG-IBGZPJMESA-N 2 2 349.482 3.271 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000365647903 157202718 /nfs/dbraw/zinc/20/27/18/157202718.db2.gz GKHQEGBQQLHUPW-HNNXBMFYSA-N 2 2 339.418 3.125 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000365647903 157202720 /nfs/dbraw/zinc/20/27/20/157202720.db2.gz GKHQEGBQQLHUPW-HNNXBMFYSA-N 2 2 339.418 3.125 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365661993 157210004 /nfs/dbraw/zinc/21/00/04/157210004.db2.gz IDTSERGDVRNTTN-QGZVFWFLSA-N 2 2 341.455 3.401 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365661993 157210009 /nfs/dbraw/zinc/21/00/09/157210009.db2.gz IDTSERGDVRNTTN-QGZVFWFLSA-N 2 2 341.455 3.401 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365661992 157210042 /nfs/dbraw/zinc/21/00/42/157210042.db2.gz IDTSERGDVRNTTN-KRWDZBQOSA-N 2 2 341.455 3.401 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365661992 157210047 /nfs/dbraw/zinc/21/00/47/157210047.db2.gz IDTSERGDVRNTTN-KRWDZBQOSA-N 2 2 341.455 3.401 20 0 EGADLP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664501 162019754 /nfs/dbraw/zinc/01/97/54/162019754.db2.gz OWPLJTSDWVUCML-INIZCTEOSA-N 2 2 328.456 3.149 20 0 EGADLP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664501 162019757 /nfs/dbraw/zinc/01/97/57/162019757.db2.gz OWPLJTSDWVUCML-INIZCTEOSA-N 2 2 328.456 3.149 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000112709758 162186233 /nfs/dbraw/zinc/18/62/33/162186233.db2.gz QNIMIUCECUKWMC-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000112709758 162186237 /nfs/dbraw/zinc/18/62/37/162186237.db2.gz QNIMIUCECUKWMC-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479394 162234720 /nfs/dbraw/zinc/23/47/20/162234720.db2.gz PUZIAGSFSFKGFP-CHWSQXEVSA-N 2 2 334.851 3.335 20 0 EGADLP C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479394 162234723 /nfs/dbraw/zinc/23/47/23/162234723.db2.gz PUZIAGSFSFKGFP-CHWSQXEVSA-N 2 2 334.851 3.335 20 0 EGADLP CC[C@@H](C)[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218034 162267213 /nfs/dbraw/zinc/26/72/13/162267213.db2.gz MTMQWZAUHQFOKV-CVEARBPZSA-N 2 2 342.487 3.008 20 0 EGADLP CC[C@@H](C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218034 162267216 /nfs/dbraw/zinc/26/72/16/162267216.db2.gz MTMQWZAUHQFOKV-CVEARBPZSA-N 2 2 342.487 3.008 20 0 EGADLP CC[C@@H](C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218034 162267218 /nfs/dbraw/zinc/26/72/18/162267218.db2.gz MTMQWZAUHQFOKV-CVEARBPZSA-N 2 2 342.487 3.008 20 0 EGADLP CC[C@@H](C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218034 162267221 /nfs/dbraw/zinc/26/72/21/162267221.db2.gz MTMQWZAUHQFOKV-CVEARBPZSA-N 2 2 342.487 3.008 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000125645008 162281308 /nfs/dbraw/zinc/28/13/08/162281308.db2.gz VZLXVSANRFIOFG-SBHAEUEKSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000125645008 162281310 /nfs/dbraw/zinc/28/13/10/162281310.db2.gz VZLXVSANRFIOFG-SBHAEUEKSA-N 3 2 344.547 3.004 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000126745457 162311736 /nfs/dbraw/zinc/31/17/36/162311736.db2.gz MNCCIAARIQHRFH-KRWDZBQOSA-N 2 2 327.472 3.186 20 0 EGADLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000126745457 162311737 /nfs/dbraw/zinc/31/17/37/162311737.db2.gz MNCCIAARIQHRFH-KRWDZBQOSA-N 2 2 327.472 3.186 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)c[nH+]1 ZINC000354330002 166003677 /nfs/dbraw/zinc/00/36/77/166003677.db2.gz NBFJAERIXKQEQL-MSOLQXFVSA-N 2 2 334.410 3.150 20 0 EGADLP CCc1nc2cc(C[NH2+][C@H]3C[N@H+](CC)C[C@@H]3C)ccc2n1C1CC1 ZINC000338462996 163232695 /nfs/dbraw/zinc/23/26/95/163232695.db2.gz WQNVZHJBKSFKLO-KSSFIOAISA-N 2 2 326.488 3.363 20 0 EGADLP CCc1nc2cc(C[NH2+][C@H]3C[N@@H+](CC)C[C@@H]3C)ccc2n1C1CC1 ZINC000338462996 163232699 /nfs/dbraw/zinc/23/26/99/163232699.db2.gz WQNVZHJBKSFKLO-KSSFIOAISA-N 2 2 326.488 3.363 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)cn1 ZINC000338945508 163397442 /nfs/dbraw/zinc/39/74/42/163397442.db2.gz RSDUAOFKOZGEDQ-MRXNPFEDSA-N 2 2 340.452 3.197 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)cn1 ZINC000338945508 163397444 /nfs/dbraw/zinc/39/74/44/163397444.db2.gz RSDUAOFKOZGEDQ-MRXNPFEDSA-N 2 2 340.452 3.197 20 0 EGADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354476887 166014509 /nfs/dbraw/zinc/01/45/09/166014509.db2.gz LXQHEACLMBSEJI-GOSISDBHSA-N 2 2 346.496 3.165 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798090 164037097 /nfs/dbraw/zinc/03/70/97/164037097.db2.gz OWMGNBWZVXCPQS-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798090 164037098 /nfs/dbraw/zinc/03/70/98/164037098.db2.gz OWMGNBWZVXCPQS-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798090 164037100 /nfs/dbraw/zinc/03/71/00/164037100.db2.gz OWMGNBWZVXCPQS-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343798090 164037103 /nfs/dbraw/zinc/03/71/03/164037103.db2.gz OWMGNBWZVXCPQS-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856167 164051413 /nfs/dbraw/zinc/05/14/13/164051413.db2.gz JDDDDJMRDURZCZ-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856167 164051414 /nfs/dbraw/zinc/05/14/14/164051414.db2.gz JDDDDJMRDURZCZ-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856167 164051415 /nfs/dbraw/zinc/05/14/15/164051415.db2.gz JDDDDJMRDURZCZ-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000343856167 164051416 /nfs/dbraw/zinc/05/14/16/164051416.db2.gz JDDDDJMRDURZCZ-AWEZNQCLSA-N 2 2 338.879 3.275 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000344160438 164117027 /nfs/dbraw/zinc/11/70/27/164117027.db2.gz DQOHPJHRFMWBMM-MSOLQXFVSA-N 2 2 340.552 3.305 20 0 EGADLP COC(=O)c1occc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000344606247 164199037 /nfs/dbraw/zinc/19/90/37/164199037.db2.gz TWASGQWZYBDOGV-HNNXBMFYSA-N 2 2 330.428 3.066 20 0 EGADLP COC(=O)c1occc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000344606247 164199038 /nfs/dbraw/zinc/19/90/38/164199038.db2.gz TWASGQWZYBDOGV-HNNXBMFYSA-N 2 2 330.428 3.066 20 0 EGADLP FC(F)(F)C(F)(F)COCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000345770262 164262450 /nfs/dbraw/zinc/26/24/50/164262450.db2.gz KOOHBHZEHXLCJP-UHFFFAOYSA-N 2 2 344.368 3.151 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccsc1 ZINC000346150532 164350307 /nfs/dbraw/zinc/35/03/07/164350307.db2.gz NRRBKDNUUUSVPZ-HOCLYGCPSA-N 2 2 346.500 3.090 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccsc1 ZINC000346150532 164350308 /nfs/dbraw/zinc/35/03/08/164350308.db2.gz NRRBKDNUUUSVPZ-HOCLYGCPSA-N 2 2 346.500 3.090 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000346155161 164351685 /nfs/dbraw/zinc/35/16/85/164351685.db2.gz GKKQWNOERPHMQG-HOJAQTOUSA-N 2 2 346.515 3.071 20 0 EGADLP CCn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354870196 166051621 /nfs/dbraw/zinc/05/16/21/166051621.db2.gz YTKSXDPBLJJKOW-QZTJIDSGSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000354877980 166053601 /nfs/dbraw/zinc/05/36/01/166053601.db2.gz ZGKBJAOSWSJKPM-OALUTQOASA-N 2 2 346.515 3.167 20 0 EGADLP C[C@@H](CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)OCc1ccccc1 ZINC000354877980 166053603 /nfs/dbraw/zinc/05/36/03/166053603.db2.gz ZGKBJAOSWSJKPM-OALUTQOASA-N 2 2 346.515 3.167 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(F)c1 ZINC000351620703 165105713 /nfs/dbraw/zinc/10/57/13/165105713.db2.gz QSINRYYSIHYDTI-LDQXTDLNSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(F)c1 ZINC000351620703 165105720 /nfs/dbraw/zinc/10/57/20/165105720.db2.gz QSINRYYSIHYDTI-LDQXTDLNSA-N 2 2 342.458 3.359 20 0 EGADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000352010339 165190222 /nfs/dbraw/zinc/19/02/22/165190222.db2.gz BYWXQPFUGSQRJG-UHFFFAOYSA-N 2 2 345.940 3.367 20 0 EGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000352010339 165190226 /nfs/dbraw/zinc/19/02/26/165190226.db2.gz BYWXQPFUGSQRJG-UHFFFAOYSA-N 2 2 345.940 3.367 20 0 EGADLP Oc1ccc(F)c(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1F ZINC000352102324 165236870 /nfs/dbraw/zinc/23/68/70/165236870.db2.gz LRUBZONJXGRBOU-UHFFFAOYSA-N 2 2 343.377 3.248 20 0 EGADLP c1nn(-c2ccccc2)c2c1C[N@H+](Cc1c[nH+]c3ccccn13)CC2 ZINC000352347356 165356988 /nfs/dbraw/zinc/35/69/88/165356988.db2.gz WFOLXAJEIDODML-UHFFFAOYSA-N 2 2 329.407 3.078 20 0 EGADLP c1nn(-c2ccccc2)c2c1C[N@@H+](Cc1c[nH+]c3ccccn13)CC2 ZINC000352347356 165356990 /nfs/dbraw/zinc/35/69/90/165356990.db2.gz WFOLXAJEIDODML-UHFFFAOYSA-N 2 2 329.407 3.078 20 0 EGADLP COC(=O)[C@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccc(F)cc1 ZINC000355122398 166112344 /nfs/dbraw/zinc/11/23/44/166112344.db2.gz LYZPQWSOHIPPPR-HXUWFJFHSA-N 2 2 344.430 3.182 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000355425466 166195816 /nfs/dbraw/zinc/19/58/16/166195816.db2.gz UAPNZCXEHDAWSJ-GOSISDBHSA-N 2 2 334.423 3.246 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000355425466 166195817 /nfs/dbraw/zinc/19/58/17/166195817.db2.gz UAPNZCXEHDAWSJ-GOSISDBHSA-N 2 2 334.423 3.246 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358992942 167031031 /nfs/dbraw/zinc/03/10/31/167031031.db2.gz WTPORUWNOHTRMG-DNVCBOLYSA-N 2 2 325.456 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358992942 167031035 /nfs/dbraw/zinc/03/10/35/167031035.db2.gz WTPORUWNOHTRMG-DNVCBOLYSA-N 2 2 325.456 3.330 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000359037647 167046067 /nfs/dbraw/zinc/04/60/67/167046067.db2.gz GSKGICFIJDFLCV-QZTJIDSGSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000359037647 167046070 /nfs/dbraw/zinc/04/60/70/167046070.db2.gz GSKGICFIJDFLCV-QZTJIDSGSA-N 2 2 334.504 3.191 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)nnn1-c1ccccc1 ZINC000359446183 167158692 /nfs/dbraw/zinc/15/86/92/167158692.db2.gz YRBKTZNBLIYWRZ-DLBZAZTESA-N 2 2 341.503 3.491 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)nnn1-c1ccccc1 ZINC000359446183 167158694 /nfs/dbraw/zinc/15/86/94/167158694.db2.gz YRBKTZNBLIYWRZ-DLBZAZTESA-N 2 2 341.503 3.491 20 0 EGADLP Cc1cc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000359900428 167262641 /nfs/dbraw/zinc/26/26/41/167262641.db2.gz NHNLWQKCMAUEGT-RTBURBONSA-N 2 2 334.467 3.231 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360559990 167357789 /nfs/dbraw/zinc/35/77/89/167357789.db2.gz DPAPEXYTRRQVFJ-JXFKEZNVSA-N 2 2 329.488 3.131 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360559990 167357792 /nfs/dbraw/zinc/35/77/92/167357792.db2.gz DPAPEXYTRRQVFJ-JXFKEZNVSA-N 2 2 329.488 3.131 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cscn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000360685325 167387800 /nfs/dbraw/zinc/38/78/00/167387800.db2.gz KXCJKKYDTDLYKN-UHFFFAOYSA-N 2 2 342.443 3.461 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000365817751 168047054 /nfs/dbraw/zinc/04/70/54/168047054.db2.gz CLLUKBURWYAOCL-AWEZNQCLSA-N 2 2 333.505 3.102 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC000366096008 168082161 /nfs/dbraw/zinc/08/21/61/168082161.db2.gz RJWGQULTGVXLIR-MRXNPFEDSA-N 2 2 336.549 3.130 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC000366096008 168082164 /nfs/dbraw/zinc/08/21/64/168082164.db2.gz RJWGQULTGVXLIR-MRXNPFEDSA-N 2 2 336.549 3.130 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4nc5ccccc5o4)C[C@@H]3C2)cc1 ZINC000366342391 168108774 /nfs/dbraw/zinc/10/87/74/168108774.db2.gz OJJUTJIRMQZBIJ-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4nc5ccccc5o4)C[C@@H]3C2)cc1 ZINC000366342391 168108777 /nfs/dbraw/zinc/10/87/77/168108777.db2.gz OJJUTJIRMQZBIJ-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4nc5ccccc5o4)C[C@@H]3C2)cc1 ZINC000366342391 168108779 /nfs/dbraw/zinc/10/87/79/168108779.db2.gz OJJUTJIRMQZBIJ-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4nc5ccccc5o4)C[C@@H]3C2)cc1 ZINC000366342391 168108780 /nfs/dbraw/zinc/10/87/80/168108780.db2.gz OJJUTJIRMQZBIJ-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cnn(Cc2ccccc2)c1 ZINC000367440061 168226139 /nfs/dbraw/zinc/22/61/39/168226139.db2.gz ZHIYYDZVCRGDOQ-MRXNPFEDSA-N 2 2 335.455 3.315 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367700994 168260790 /nfs/dbraw/zinc/26/07/90/168260790.db2.gz XZSPNECYSZLEIM-RAFMOHDBSA-N 2 2 349.563 3.409 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCCC1 ZINC000367700994 168260793 /nfs/dbraw/zinc/26/07/93/168260793.db2.gz XZSPNECYSZLEIM-RAFMOHDBSA-N 2 2 349.563 3.409 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000368030616 168300631 /nfs/dbraw/zinc/30/06/31/168300631.db2.gz OLWAXBNKAXQGQX-CQSZACIVSA-N 2 2 337.533 3.331 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccccn3)CC2)c1 ZINC000158560834 225042400 /nfs/dbraw/zinc/04/24/00/225042400.db2.gz LHVVOIFZWBJEJF-IBGZPJMESA-N 2 2 338.499 3.253 20 0 EGADLP C[NH+](C)CCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000123241367 222241434 /nfs/dbraw/zinc/24/14/34/222241434.db2.gz JXVGARCKWWTMOS-UHFFFAOYSA-N 3 2 326.488 3.426 20 0 EGADLP C[C@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]C1 ZINC000166945714 264929253 /nfs/dbraw/zinc/92/92/53/264929253.db2.gz OVCBCZQHAJXLJI-KRWDZBQOSA-N 2 2 331.803 3.465 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173960179 265013440 /nfs/dbraw/zinc/01/34/40/265013440.db2.gz ODNXSJABTCHIPF-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173960179 265013442 /nfs/dbraw/zinc/01/34/42/265013442.db2.gz ODNXSJABTCHIPF-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173960179 265013444 /nfs/dbraw/zinc/01/34/44/265013444.db2.gz ODNXSJABTCHIPF-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173960179 265013447 /nfs/dbraw/zinc/01/34/47/265013447.db2.gz ODNXSJABTCHIPF-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000177308903 265245835 /nfs/dbraw/zinc/24/58/35/265245835.db2.gz HNKAHPVNIWZQOE-SJORKVTESA-N 2 2 342.439 3.278 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000177308903 265245839 /nfs/dbraw/zinc/24/58/39/265245839.db2.gz HNKAHPVNIWZQOE-SJORKVTESA-N 2 2 342.439 3.278 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000177308903 265245842 /nfs/dbraw/zinc/24/58/42/265245842.db2.gz HNKAHPVNIWZQOE-SJORKVTESA-N 2 2 342.439 3.278 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000177308903 265245843 /nfs/dbraw/zinc/24/58/43/265245843.db2.gz HNKAHPVNIWZQOE-SJORKVTESA-N 2 2 342.439 3.278 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177353218 265249268 /nfs/dbraw/zinc/24/92/68/265249268.db2.gz DMQQGCVWFCDACA-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000177353218 265249270 /nfs/dbraw/zinc/24/92/70/265249270.db2.gz DMQQGCVWFCDACA-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000178331471 265309007 /nfs/dbraw/zinc/30/90/07/265309007.db2.gz HBFKZBMVAOOVJI-FUHIMQAGSA-N 2 2 334.504 3.134 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000178331471 265309012 /nfs/dbraw/zinc/30/90/12/265309012.db2.gz HBFKZBMVAOOVJI-FUHIMQAGSA-N 2 2 334.504 3.134 20 0 EGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193155219 266014897 /nfs/dbraw/zinc/01/48/97/266014897.db2.gz BHCCNTRJXRKOTD-GJZGRUSLSA-N 2 2 328.909 3.259 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[nH+]1 ZINC000193964245 266079735 /nfs/dbraw/zinc/07/97/35/266079735.db2.gz CUNRYKLPVLUAFD-YZGWKJHDSA-N 2 2 337.467 3.021 20 0 EGADLP C[C@@H]1CCC[C@@](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000194664531 266135549 /nfs/dbraw/zinc/13/55/49/266135549.db2.gz LQYXVLFJYSWMAU-OXQOHEQNSA-N 2 2 340.471 3.113 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CCc3ccc4c(c3)CCO4)C2)cc1 ZINC000236586664 266207851 /nfs/dbraw/zinc/20/78/51/266207851.db2.gz YNLSRARCTVIYQH-OAQYLSRUSA-N 2 2 336.479 3.418 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCc3ccc4c(c3)CCO4)C2)cc1 ZINC000236586664 266207853 /nfs/dbraw/zinc/20/78/53/266207853.db2.gz YNLSRARCTVIYQH-OAQYLSRUSA-N 2 2 336.479 3.418 20 0 EGADLP Cc1[nH+]ccn1CCCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269726907 266348110 /nfs/dbraw/zinc/34/81/10/266348110.db2.gz WNIPEQRZVOAMNN-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269726907 266348113 /nfs/dbraw/zinc/34/81/13/266348113.db2.gz WNIPEQRZVOAMNN-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000269726907 266348115 /nfs/dbraw/zinc/34/81/15/266348115.db2.gz WNIPEQRZVOAMNN-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000269726907 266348118 /nfs/dbraw/zinc/34/81/18/266348118.db2.gz WNIPEQRZVOAMNN-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP COc1c(Br)cccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000186903886 274087490 /nfs/dbraw/zinc/08/74/90/274087490.db2.gz MOAPITHYLWZQTM-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1c(Br)cccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000186903886 274087493 /nfs/dbraw/zinc/08/74/93/274087493.db2.gz MOAPITHYLWZQTM-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000186903886 274087496 /nfs/dbraw/zinc/08/74/96/274087496.db2.gz MOAPITHYLWZQTM-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1c(Br)cccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000186903886 274087497 /nfs/dbraw/zinc/08/74/97/274087497.db2.gz MOAPITHYLWZQTM-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)C2 ZINC000372830757 274153360 /nfs/dbraw/zinc/15/33/60/274153360.db2.gz YEBATRRTHMVKRI-IRXDYDNUSA-N 2 2 325.456 3.225 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385085 275029653 /nfs/dbraw/zinc/02/96/53/275029653.db2.gz BIGXQDVXTQBEJW-XJKSGUPXSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385085 275029655 /nfs/dbraw/zinc/02/96/55/275029655.db2.gz BIGXQDVXTQBEJW-XJKSGUPXSA-N 2 2 344.846 3.048 20 0 EGADLP Cc1nc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cs1 ZINC000269385967 275236123 /nfs/dbraw/zinc/23/61/23/275236123.db2.gz BBRYVLOUVLVKJK-AWEZNQCLSA-N 2 2 345.512 3.259 20 0 EGADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000272301647 275244066 /nfs/dbraw/zinc/24/40/66/275244066.db2.gz RIMMQZUYFHUMOE-MAUKXSAKSA-N 2 2 340.471 3.404 20 0 EGADLP COc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1C ZINC000278619917 275259810 /nfs/dbraw/zinc/25/98/10/275259810.db2.gz FSPBCVDDMBGBHZ-GOSISDBHSA-N 2 2 340.471 3.151 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050937 275299412 /nfs/dbraw/zinc/29/94/12/275299412.db2.gz YBTMJUYGUDADMH-NVXWUHKLSA-N 3 2 335.455 3.290 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279606402 275343692 /nfs/dbraw/zinc/34/36/92/275343692.db2.gz IWJQYBKMRREDBZ-UHFFFAOYSA-N 2 2 330.451 3.318 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279606402 275343693 /nfs/dbraw/zinc/34/36/93/275343693.db2.gz IWJQYBKMRREDBZ-UHFFFAOYSA-N 2 2 330.451 3.318 20 0 EGADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000282187647 275609961 /nfs/dbraw/zinc/60/99/61/275609961.db2.gz NDXQJTMUZNDHHV-KPFFTGBYSA-N 2 2 331.504 3.402 20 0 EGADLP COCCCn1nccc1C[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000282601621 275652279 /nfs/dbraw/zinc/65/22/79/275652279.db2.gz HTTOUKVCVCLKFO-KRWDZBQOSA-N 2 2 344.503 3.139 20 0 EGADLP CC(C)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCC1 ZINC000187746920 275671009 /nfs/dbraw/zinc/67/10/09/275671009.db2.gz HNSUPDXRZJYHGR-QZTJIDSGSA-N 2 2 330.451 3.348 20 0 EGADLP Cc1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)no1 ZINC000285270427 275860929 /nfs/dbraw/zinc/86/09/29/275860929.db2.gz QSXBBDRUHCHIRQ-AWEZNQCLSA-N 2 2 329.448 3.082 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000285408590 275872843 /nfs/dbraw/zinc/87/28/43/275872843.db2.gz ISGWZLJPNIYEBR-UHFFFAOYSA-N 2 2 347.894 3.195 20 0 EGADLP Clc1cccc2c(N3CC[C@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000287202630 276095970 /nfs/dbraw/zinc/09/59/70/276095970.db2.gz HVCIELPJLXWXDN-CQSZACIVSA-N 2 2 331.847 3.047 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247643853 276106287 /nfs/dbraw/zinc/10/62/87/276106287.db2.gz UBOQWRDLGHHLJR-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247643853 276106289 /nfs/dbraw/zinc/10/62/89/276106289.db2.gz UBOQWRDLGHHLJR-SQNIBIBYSA-N 2 2 343.515 3.016 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000287575873 276135216 /nfs/dbraw/zinc/13/52/16/276135216.db2.gz HASKZDNYFRGIIV-IKGGRYGDSA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000287575873 276135217 /nfs/dbraw/zinc/13/52/17/276135217.db2.gz HASKZDNYFRGIIV-IKGGRYGDSA-N 2 2 342.405 3.351 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[NH2+]CCCc3c[nH+]ccc3C)cn2)n1 ZINC000289046573 276283531 /nfs/dbraw/zinc/28/35/31/276283531.db2.gz BABOQKKLNTUSEK-UHFFFAOYSA-N 2 2 335.455 3.310 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)cc1F ZINC000289051386 276284039 /nfs/dbraw/zinc/28/40/39/276284039.db2.gz BJFBSLQGACZKFQ-NSHDSACASA-N 2 2 346.431 3.119 20 0 EGADLP CCCCCC(=O)NC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289380245 276330406 /nfs/dbraw/zinc/33/04/06/276330406.db2.gz PXPILSPQVDZRBN-UHFFFAOYSA-N 2 2 331.504 3.484 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000289582779 276361545 /nfs/dbraw/zinc/36/15/45/276361545.db2.gz RKNINQNPMCNEEP-MRXNPFEDSA-N 2 2 342.405 3.129 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000289582779 276361547 /nfs/dbraw/zinc/36/15/47/276361547.db2.gz RKNINQNPMCNEEP-MRXNPFEDSA-N 2 2 342.405 3.129 20 0 EGADLP C[N@H+](Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289774544 276391935 /nfs/dbraw/zinc/39/19/35/276391935.db2.gz RJRZVVHPTWOVLY-SJPCQFCGSA-N 2 2 331.479 3.483 20 0 EGADLP C[N@@H+](Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289774544 276391937 /nfs/dbraw/zinc/39/19/37/276391937.db2.gz RJRZVVHPTWOVLY-SJPCQFCGSA-N 2 2 331.479 3.483 20 0 EGADLP C[NH+](Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289774544 276391940 /nfs/dbraw/zinc/39/19/40/276391940.db2.gz RJRZVVHPTWOVLY-SJPCQFCGSA-N 2 2 331.479 3.483 20 0 EGADLP C[NH+](Cc1c(F)cccc1N1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289774544 276391942 /nfs/dbraw/zinc/39/19/42/276391942.db2.gz RJRZVVHPTWOVLY-SJPCQFCGSA-N 2 2 331.479 3.483 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000289913763 276418177 /nfs/dbraw/zinc/41/81/77/276418177.db2.gz YCDNHMPBOCXNSX-UHFFFAOYSA-N 2 2 345.487 3.479 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000290438780 276495848 /nfs/dbraw/zinc/49/58/48/276495848.db2.gz SBMJWDYZSMBFHZ-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000291144943 276596499 /nfs/dbraw/zinc/59/64/99/276596499.db2.gz YRYIJJCZEKMJKA-UHFFFAOYSA-N 2 2 343.393 3.151 20 0 EGADLP CCOc1ccc([C@H](O)C2CC[NH+](CCn3cc[nH+]c3C)CC2)cc1 ZINC000291990011 276717630 /nfs/dbraw/zinc/71/76/30/276717630.db2.gz WURFXABSKCUHQF-FQEVSTJZSA-N 2 2 343.471 3.036 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4cc(F)ccc43)[nH+]c2)C1 ZINC000346951521 276837489 /nfs/dbraw/zinc/83/74/89/276837489.db2.gz COMRHVNQXVKXMQ-MJGOQNOKSA-N 2 2 340.446 3.460 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000360574992 277065053 /nfs/dbraw/zinc/06/50/53/277065053.db2.gz SXCHBOKCCVRQBJ-ABAIWWIYSA-N 2 2 327.241 3.259 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000360574992 277065054 /nfs/dbraw/zinc/06/50/54/277065054.db2.gz SXCHBOKCCVRQBJ-ABAIWWIYSA-N 2 2 327.241 3.259 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1C ZINC000353929704 277065800 /nfs/dbraw/zinc/06/58/00/277065800.db2.gz FGJVBSKGLWQXEC-GTAWCEEGSA-N 2 2 344.499 3.391 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1nncn1C ZINC000348706239 277915599 /nfs/dbraw/zinc/91/55/99/277915599.db2.gz GWSWCYOKACXWKN-SZMVWBNQSA-N 2 2 333.524 3.145 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246718517 278139522 /nfs/dbraw/zinc/13/95/22/278139522.db2.gz DAELTGJQRSKUFN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246718517 278139525 /nfs/dbraw/zinc/13/95/25/278139525.db2.gz DAELTGJQRSKUFN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246718517 278139526 /nfs/dbraw/zinc/13/95/26/278139526.db2.gz DAELTGJQRSKUFN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246718517 278139528 /nfs/dbraw/zinc/13/95/28/278139528.db2.gz DAELTGJQRSKUFN-IXDOHACOSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccc(N2CCCC2=O)c1 ZINC000361661413 278354836 /nfs/dbraw/zinc/35/48/36/278354836.db2.gz FPMRSAMLZDLNFR-NVXWUHKLSA-N 2 2 338.455 3.238 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000343895295 279034578 /nfs/dbraw/zinc/03/45/78/279034578.db2.gz VSYZNMRHLDSLSJ-GXTWGEPZSA-N 2 2 328.460 3.197 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000112528172 279232597 /nfs/dbraw/zinc/23/25/97/279232597.db2.gz QLGIBGHDUUIDCD-GJZGRUSLSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)o1 ZINC000112528172 279232601 /nfs/dbraw/zinc/23/26/01/279232601.db2.gz QLGIBGHDUUIDCD-GJZGRUSLSA-N 2 2 328.460 3.461 20 0 EGADLP CC[C@@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000339248800 280069757 /nfs/dbraw/zinc/06/97/57/280069757.db2.gz BGZMOJZVSRRNCV-ROUUACIJSA-N 2 2 340.471 3.374 20 0 EGADLP CC[C@@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000339248800 280069760 /nfs/dbraw/zinc/06/97/60/280069760.db2.gz BGZMOJZVSRRNCV-ROUUACIJSA-N 2 2 340.471 3.374 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000356845108 281463367 /nfs/dbraw/zinc/46/33/67/281463367.db2.gz IFSXLZIOHSZCQX-IPELMVKDSA-N 2 2 331.504 3.063 20 0 EGADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360717755 294751898 /nfs/dbraw/zinc/75/18/98/294751898.db2.gz JTCKDTCXIBEFQL-QGZVFWFLSA-N 2 2 329.419 3.405 20 0 EGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1NC(C)=O ZINC000353944035 295134173 /nfs/dbraw/zinc/13/41/73/295134173.db2.gz JGCUWPRUSKEBFG-UHFFFAOYSA-N 2 2 327.428 3.079 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000367184092 298034231 /nfs/dbraw/zinc/03/42/31/298034231.db2.gz FGDCPJZKTHUWOS-IAGOWNOFSA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000367184092 298034233 /nfs/dbraw/zinc/03/42/33/298034233.db2.gz FGDCPJZKTHUWOS-IAGOWNOFSA-N 2 2 349.544 3.218 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)nn(C(C)(C)C)c1C)CCC2 ZINC000370675518 302324914 /nfs/dbraw/zinc/32/49/14/302324914.db2.gz FQPLAADBYFROSK-INIZCTEOSA-N 2 2 329.492 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000154269809 307791190 /nfs/dbraw/zinc/79/11/90/307791190.db2.gz WRXKMJJIOVBWNF-TZMCWYRMSA-N 2 2 345.830 3.479 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cncs1 ZINC000414259854 309069190 /nfs/dbraw/zinc/06/91/90/309069190.db2.gz GUVKIMQZJYZTNT-CGTJXYLNSA-N 2 2 345.512 3.331 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cncs1 ZINC000414259854 309069191 /nfs/dbraw/zinc/06/91/91/309069191.db2.gz GUVKIMQZJYZTNT-CGTJXYLNSA-N 2 2 345.512 3.331 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1Cl ZINC000158896567 307865452 /nfs/dbraw/zinc/86/54/52/307865452.db2.gz GVYDZEOAWNFACZ-ZFWWWQNUSA-N 2 2 328.859 3.223 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1C(F)(F)F ZINC000158935728 307865937 /nfs/dbraw/zinc/86/59/37/307865937.db2.gz UZSWUXWKJYJOQI-CABCVRRESA-N 2 2 344.421 3.449 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000158940798 307866007 /nfs/dbraw/zinc/86/60/07/307866007.db2.gz DEFMWEDQXWQYGD-UKRRQHHQSA-N 2 2 328.859 3.223 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1csnn1 ZINC000414298002 309071340 /nfs/dbraw/zinc/07/13/40/309071340.db2.gz IITZDYBHDUUYON-QMCVQRASSA-N 2 2 328.485 3.099 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1csnn1 ZINC000414298002 309071341 /nfs/dbraw/zinc/07/13/41/309071341.db2.gz IITZDYBHDUUYON-QMCVQRASSA-N 2 2 328.485 3.099 20 0 EGADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000414341811 309073928 /nfs/dbraw/zinc/07/39/28/309073928.db2.gz OOVMZZOBJCXCMW-PXNSSMCTSA-N 2 2 337.467 3.452 20 0 EGADLP CC(C)O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971160 308085586 /nfs/dbraw/zinc/08/55/86/308085586.db2.gz WPWCYDXKEHOOLS-FPOVZHCZSA-N 2 2 346.515 3.197 20 0 EGADLP CC(C)O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000292971160 308085589 /nfs/dbraw/zinc/08/55/89/308085589.db2.gz WPWCYDXKEHOOLS-FPOVZHCZSA-N 2 2 346.515 3.197 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293692029 308153386 /nfs/dbraw/zinc/15/33/86/308153386.db2.gz QRKGZXHBGJQBRC-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293692029 308153388 /nfs/dbraw/zinc/15/33/88/308153388.db2.gz QRKGZXHBGJQBRC-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293692029 308153390 /nfs/dbraw/zinc/15/33/90/308153390.db2.gz QRKGZXHBGJQBRC-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293692029 308153391 /nfs/dbraw/zinc/15/33/91/308153391.db2.gz QRKGZXHBGJQBRC-GOSISDBHSA-N 2 2 332.879 3.144 20 0 EGADLP OC1CC[NH+](CC[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000294810130 308259514 /nfs/dbraw/zinc/25/95/14/308259514.db2.gz JIVTWJNGIKAQML-UHFFFAOYSA-N 2 2 345.314 3.362 20 0 EGADLP CCCc1[nH+]c2ccccc2n1CCc1nc(C2([NH3+])CCCC2)no1 ZINC000414612676 309091678 /nfs/dbraw/zinc/09/16/78/309091678.db2.gz DXCGLXSYQOZILT-UHFFFAOYSA-N 2 2 339.443 3.343 20 0 EGADLP CC[NH+](CC)[C@H](CN[C@@H]1CCn2cc[nH+]c21)c1cccc(OC)c1 ZINC000296113975 308395027 /nfs/dbraw/zinc/39/50/27/308395027.db2.gz UZNJEXXHQCBFME-QZTJIDSGSA-N 2 2 328.460 3.009 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000296733608 308461334 /nfs/dbraw/zinc/46/13/34/308461334.db2.gz CHWOBQCMCJKXIE-UHFFFAOYSA-N 3 2 326.488 3.235 20 0 EGADLP CCOC1(C)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000298216759 308594232 /nfs/dbraw/zinc/59/42/32/308594232.db2.gz FFVPTHROJYQORR-UHFFFAOYSA-N 2 2 345.531 3.090 20 0 EGADLP CC[NH2+]CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414833544 309104408 /nfs/dbraw/zinc/10/44/08/309104408.db2.gz SMEZLAMLTYAWQU-UHFFFAOYSA-N 2 2 340.496 3.359 20 0 EGADLP CC(C)(C)CC[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301228549 308692526 /nfs/dbraw/zinc/69/25/26/308692526.db2.gz GHFLTRQUIKRJBB-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(Cl)c1OC ZINC000414834666 309104653 /nfs/dbraw/zinc/10/46/53/309104653.db2.gz GVSUJKVVPNPBHH-AWEZNQCLSA-N 2 2 326.868 3.354 20 0 EGADLP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(C(C)C)n1 ZINC000301673953 308710234 /nfs/dbraw/zinc/71/02/34/308710234.db2.gz ROKPNTYUNAOXDL-UHFFFAOYSA-N 2 2 345.535 3.271 20 0 EGADLP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000301673953 308710235 /nfs/dbraw/zinc/71/02/35/308710235.db2.gz ROKPNTYUNAOXDL-UHFFFAOYSA-N 3 2 345.535 3.271 20 0 EGADLP COCC[NH+]1CCC(Nc2c(C)c[nH+]c3c(OC)cccc23)CC1 ZINC000302690553 308742201 /nfs/dbraw/zinc/74/22/01/308742201.db2.gz ZJBNCUJIIMMVHH-UHFFFAOYSA-N 2 2 329.444 3.075 20 0 EGADLP Oc1cccc(C[NH2+]CCC[NH+]2CCCCC2)c1Br ZINC000315530402 308765935 /nfs/dbraw/zinc/76/59/35/308765935.db2.gz HASUBBGSZWHGOF-UHFFFAOYSA-N 2 2 327.266 3.120 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000331876299 308819967 /nfs/dbraw/zinc/81/99/67/308819967.db2.gz CCCQRWSMPOVYBM-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP CCc1ccc([C@@H](C[NH2+]C2CCN(C(C)=O)CC2)[NH+](CC)CC)cc1 ZINC000340410945 308879621 /nfs/dbraw/zinc/87/96/21/308879621.db2.gz NFAPUKLBKQIGHN-OAQYLSRUSA-N 2 2 345.531 3.232 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000359468366 308892764 /nfs/dbraw/zinc/89/27/64/308892764.db2.gz VNVOYUMWXNYULN-KURKYZTESA-N 2 2 343.519 3.309 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400338114 308907106 /nfs/dbraw/zinc/90/71/06/308907106.db2.gz HZBFYCRPXWEBCH-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414851337 309105438 /nfs/dbraw/zinc/10/54/38/309105438.db2.gz JASBLFJHPHFTRV-WBVHZDCISA-N 3 2 335.923 3.282 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000414852092 309105590 /nfs/dbraw/zinc/10/55/90/309105590.db2.gz VJXBBUBWLYUOQV-SFHVURJKSA-N 2 2 326.440 3.371 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])CNCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000414854451 309105865 /nfs/dbraw/zinc/10/58/65/309105865.db2.gz ZKWOZTKSMAFWPU-HNNXBMFYSA-N 2 2 340.393 3.358 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414863672 309106194 /nfs/dbraw/zinc/10/61/94/309106194.db2.gz BARKIACSVXFWPH-GOSISDBHSA-N 2 2 326.440 3.116 20 0 EGADLP [NH3+][C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1 ZINC000414885076 309107241 /nfs/dbraw/zinc/10/72/41/309107241.db2.gz GBAANCVAXWLDJE-KRWDZBQOSA-N 2 2 331.847 3.141 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C)c(OC)c2)cc1 ZINC000414889472 309107406 /nfs/dbraw/zinc/10/74/06/309107406.db2.gz SSJAOAXMZKVGPF-UXHICEINSA-N 2 2 340.467 3.248 20 0 EGADLP C[C@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000414924043 309109639 /nfs/dbraw/zinc/10/96/39/309109639.db2.gz GCDQEVRJNCQCLT-CYBMUJFWSA-N 2 2 349.272 3.465 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414962305 309111676 /nfs/dbraw/zinc/11/16/76/309111676.db2.gz WIMXHIGNHYQBTD-JQFCIGGWSA-N 2 2 338.879 3.128 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414965059 309111840 /nfs/dbraw/zinc/11/18/40/309111840.db2.gz YZUQHILLMBIYJS-CABZTGNLSA-N 2 2 349.219 3.281 20 0 EGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000414975786 309112494 /nfs/dbraw/zinc/11/24/94/309112494.db2.gz HAFKIXIQNWWVLV-KRWDZBQOSA-N 2 2 344.455 3.110 20 0 EGADLP C[N@@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C[C@H](O)C[NH3+] ZINC000415072282 309118374 /nfs/dbraw/zinc/11/83/74/309118374.db2.gz WABSUHOWMASGON-CQSZACIVSA-N 2 2 338.810 3.023 20 0 EGADLP C[N@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C[C@H](O)C[NH3+] ZINC000415072282 309118375 /nfs/dbraw/zinc/11/83/75/309118375.db2.gz WABSUHOWMASGON-CQSZACIVSA-N 2 2 338.810 3.023 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000415072047 309118398 /nfs/dbraw/zinc/11/83/98/309118398.db2.gz XMKKPMNZACCEGC-IBGZPJMESA-N 2 2 337.471 3.364 20 0 EGADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415128083 309122433 /nfs/dbraw/zinc/12/24/33/309122433.db2.gz JMVNLEPHKAZXKJ-UYAOXDASSA-N 3 2 329.532 3.396 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000415132343 309122746 /nfs/dbraw/zinc/12/27/46/309122746.db2.gz KYLLLOGWEOFDCO-WSTZPKSXSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415162399 309124218 /nfs/dbraw/zinc/12/42/18/309124218.db2.gz AMXYPAMLILRELI-KGLIPLIRSA-N 2 2 326.400 3.075 20 0 EGADLP CC(C)C[C@@H](C[NH3+])NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415190295 309125645 /nfs/dbraw/zinc/12/56/45/309125645.db2.gz TXPYGBHPIZTJAT-HNNXBMFYSA-N 2 2 328.416 3.369 20 0 EGADLP Cc1cc(NC(=O)NC2(C)CC[NH2+]CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC000415452724 309133951 /nfs/dbraw/zinc/13/39/51/309133951.db2.gz KUGVPAKNUNXZQM-HNNXBMFYSA-N 2 2 345.491 3.032 20 0 EGADLP Cc1nc(C[NH+]2CCC([NH3+])CC2)sc1Cc1c(F)cccc1F ZINC000416405392 309171083 /nfs/dbraw/zinc/17/10/83/309171083.db2.gz ZPFDSWJSVAWRAA-UHFFFAOYSA-N 2 2 337.439 3.244 20 0 EGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417361093 309202993 /nfs/dbraw/zinc/20/29/93/309202993.db2.gz YLHBKTGVCMCJCI-LLVKDONJSA-N 2 2 329.257 3.203 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3COCc4ccccc43)sc2C1 ZINC000418111200 309235938 /nfs/dbraw/zinc/23/59/38/309235938.db2.gz XKOBPWBAMBUSFQ-KRWDZBQOSA-N 2 2 343.496 3.271 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3COCc4ccccc43)sc2C1 ZINC000418111200 309235939 /nfs/dbraw/zinc/23/59/39/309235939.db2.gz XKOBPWBAMBUSFQ-KRWDZBQOSA-N 2 2 343.496 3.271 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)n1C ZINC000419690571 309271089 /nfs/dbraw/zinc/27/10/89/309271089.db2.gz KUKSESMZTAWELD-OAHLLOKOSA-N 2 2 334.851 3.143 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)n1C ZINC000419690569 309271121 /nfs/dbraw/zinc/27/11/21/309271121.db2.gz KUKSESMZTAWELD-HNNXBMFYSA-N 2 2 334.851 3.143 20 0 EGADLP CCc1cc(N[C@H](CCC[NH3+])c2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000420273301 309278885 /nfs/dbraw/zinc/27/88/85/309278885.db2.gz IYBWQKIZNUIVRN-LJQANCHMSA-N 2 2 347.466 3.415 20 0 EGADLP CC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000420308484 309281052 /nfs/dbraw/zinc/28/10/52/309281052.db2.gz KGUUEOBQBGSOTR-MRXNPFEDSA-N 2 2 344.459 3.018 20 0 EGADLP CC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000420308484 309281053 /nfs/dbraw/zinc/28/10/53/309281053.db2.gz KGUUEOBQBGSOTR-MRXNPFEDSA-N 2 2 344.459 3.018 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420313949 309281562 /nfs/dbraw/zinc/28/15/62/309281562.db2.gz KLLFSFLLUXLCLO-RYUDHWBXSA-N 2 2 335.423 3.130 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420313949 309281563 /nfs/dbraw/zinc/28/15/63/309281563.db2.gz KLLFSFLLUXLCLO-RYUDHWBXSA-N 2 2 335.423 3.130 20 0 EGADLP CC[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@H]1CCC[NH2+]CC1 ZINC000420320608 309281989 /nfs/dbraw/zinc/28/19/89/309281989.db2.gz YTQYZRUOMPKSGS-HNNXBMFYSA-N 2 2 334.414 3.115 20 0 EGADLP CC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@H]1CCC[NH2+]CC1 ZINC000420320608 309281990 /nfs/dbraw/zinc/28/19/90/309281990.db2.gz YTQYZRUOMPKSGS-HNNXBMFYSA-N 2 2 334.414 3.115 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000420320403 309282204 /nfs/dbraw/zinc/28/22/04/309282204.db2.gz QCXORTBICKMVKP-OAHLLOKOSA-N 2 2 345.512 3.205 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000420320403 309282205 /nfs/dbraw/zinc/28/22/05/309282205.db2.gz QCXORTBICKMVKP-OAHLLOKOSA-N 2 2 345.512 3.205 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000420369237 309284514 /nfs/dbraw/zinc/28/45/14/309284514.db2.gz UTZPBTMHTCOETQ-PKOBYXMFSA-N 2 2 349.494 3.136 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000420374294 309285166 /nfs/dbraw/zinc/28/51/66/309285166.db2.gz NJQPDCOLEQSNAA-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cs2)c1 ZINC000420374294 309285167 /nfs/dbraw/zinc/28/51/67/309285167.db2.gz NJQPDCOLEQSNAA-LJQANCHMSA-N 2 2 343.496 3.394 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381198 309285231 /nfs/dbraw/zinc/28/52/31/309285231.db2.gz CKJLAFFLXVDQRE-IEBWSBKVSA-N 2 2 330.472 3.252 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381198 309285232 /nfs/dbraw/zinc/28/52/32/309285232.db2.gz CKJLAFFLXVDQRE-IEBWSBKVSA-N 2 2 330.472 3.252 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCCO1 ZINC000420379526 309285244 /nfs/dbraw/zinc/28/52/44/309285244.db2.gz AXBLCHCOIUNYSN-HNNXBMFYSA-N 2 2 348.393 3.307 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCCO1 ZINC000420379526 309285245 /nfs/dbraw/zinc/28/52/45/309285245.db2.gz AXBLCHCOIUNYSN-HNNXBMFYSA-N 2 2 348.393 3.307 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000420377533 309285300 /nfs/dbraw/zinc/28/53/00/309285300.db2.gz SGPUTCKRNIOMEW-OAHLLOKOSA-N 2 2 332.394 3.074 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000420377533 309285301 /nfs/dbraw/zinc/28/53/01/309285301.db2.gz SGPUTCKRNIOMEW-OAHLLOKOSA-N 2 2 332.394 3.074 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420408906 309286906 /nfs/dbraw/zinc/28/69/06/309286906.db2.gz WKSCFEYIJBGOIP-WMLDXEAASA-N 2 2 335.879 3.051 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420408906 309286907 /nfs/dbraw/zinc/28/69/07/309286907.db2.gz WKSCFEYIJBGOIP-WMLDXEAASA-N 2 2 335.879 3.051 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420409938 309286941 /nfs/dbraw/zinc/28/69/41/309286941.db2.gz XRIOLYSWXCYJKC-ZBFHGGJFSA-N 2 2 330.451 3.159 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420409938 309286942 /nfs/dbraw/zinc/28/69/42/309286942.db2.gz XRIOLYSWXCYJKC-ZBFHGGJFSA-N 2 2 330.451 3.159 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420414087 309287138 /nfs/dbraw/zinc/28/71/38/309287138.db2.gz UJBSSHILAFNNGK-RLFYNMQTSA-N 2 2 331.504 3.055 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420414087 309287139 /nfs/dbraw/zinc/28/71/39/309287139.db2.gz UJBSSHILAFNNGK-RLFYNMQTSA-N 2 2 331.504 3.055 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420422786 309287154 /nfs/dbraw/zinc/28/71/54/309287154.db2.gz ZRJRCNQSWHAECU-NVXWUHKLSA-N 2 2 329.513 3.345 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420422786 309287155 /nfs/dbraw/zinc/28/71/55/309287155.db2.gz ZRJRCNQSWHAECU-NVXWUHKLSA-N 2 2 329.513 3.345 20 0 EGADLP C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420419286 309287180 /nfs/dbraw/zinc/28/71/80/309287180.db2.gz XMGYQTYXTNVRDD-IMFGXOCKSA-N 2 2 337.467 3.283 20 0 EGADLP C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420419286 309287181 /nfs/dbraw/zinc/28/71/81/309287181.db2.gz XMGYQTYXTNVRDD-IMFGXOCKSA-N 2 2 337.467 3.283 20 0 EGADLP Cc1cc(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC000420818842 309296416 /nfs/dbraw/zinc/29/64/16/309296416.db2.gz LIQYUZWUSLHTKG-GJZGRUSLSA-N 2 2 346.519 3.254 20 0 EGADLP c1cncc(C2=CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000420970130 309305189 /nfs/dbraw/zinc/30/51/89/309305189.db2.gz ZAXOIEDBVCJWEU-UHFFFAOYSA-N 2 2 349.478 3.203 20 0 EGADLP c1cncc(C2=CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000420970130 309305190 /nfs/dbraw/zinc/30/51/90/309305190.db2.gz ZAXOIEDBVCJWEU-UHFFFAOYSA-N 2 2 349.478 3.203 20 0 EGADLP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421574547 309330295 /nfs/dbraw/zinc/33/02/95/309330295.db2.gz GINLJTFTYMBZAH-FQEVSTJZSA-N 2 2 337.467 3.227 20 0 EGADLP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000421574547 309330296 /nfs/dbraw/zinc/33/02/96/309330296.db2.gz GINLJTFTYMBZAH-FQEVSTJZSA-N 2 2 337.467 3.227 20 0 EGADLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000421819725 309341549 /nfs/dbraw/zinc/34/15/49/309341549.db2.gz IPWROMFHGFXHCG-KRWDZBQOSA-N 2 2 331.504 3.373 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc(C)[nH+]1 ZINC000422610334 309362509 /nfs/dbraw/zinc/36/25/09/309362509.db2.gz PQIVIVUNBXFMPY-IBGZPJMESA-N 2 2 340.471 3.321 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422631874 309363024 /nfs/dbraw/zinc/36/30/24/309363024.db2.gz GAAPQUABTXWMEV-IKGGRYGDSA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422631874 309363025 /nfs/dbraw/zinc/36/30/25/309363025.db2.gz GAAPQUABTXWMEV-IKGGRYGDSA-N 2 2 331.504 3.362 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000422641360 309363150 /nfs/dbraw/zinc/36/31/50/309363150.db2.gz XUZXRKXUELXJBR-PMPSAXMXSA-N 2 2 331.504 3.228 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@@H]1C[NH3+] ZINC000422641360 309363151 /nfs/dbraw/zinc/36/31/51/309363151.db2.gz XUZXRKXUELXJBR-PMPSAXMXSA-N 2 2 331.504 3.228 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422692560 309363354 /nfs/dbraw/zinc/36/33/54/309363354.db2.gz KIXVOVKENQCLQE-LSDHHAIUSA-N 2 2 336.476 3.113 20 0 EGADLP COc1cc(OC)c(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c(OC)c1 ZINC000422692548 309363370 /nfs/dbraw/zinc/36/33/70/309363370.db2.gz KIXVOVKENQCLQE-CABCVRRESA-N 2 2 336.476 3.113 20 0 EGADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000422695593 309363624 /nfs/dbraw/zinc/36/36/24/309363624.db2.gz QBAWIRYNQXYVQE-JKSUJKDBSA-N 2 2 327.428 3.242 20 0 EGADLP CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422724228 309365086 /nfs/dbraw/zinc/36/50/86/309365086.db2.gz UZPZZDMDWLLJOV-IUODEOHRSA-N 2 2 326.868 3.368 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000423277490 309393794 /nfs/dbraw/zinc/39/37/94/309393794.db2.gz OFYAYOARAREOEF-OLZOCXBDSA-N 2 2 327.291 3.313 20 0 EGADLP Cc1ccc(C[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccn2)cc1 ZINC000422749482 309366386 /nfs/dbraw/zinc/36/63/86/309366386.db2.gz ZJNGNRZRSKXVIO-CUWPLCDZSA-N 2 2 339.483 3.030 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1OC(F)F ZINC000422827953 309370532 /nfs/dbraw/zinc/37/05/32/309370532.db2.gz FMAGSQJTYMEXIJ-YDHLFZDLSA-N 2 2 328.403 3.096 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000422838419 309371207 /nfs/dbraw/zinc/37/12/07/309371207.db2.gz XHMXUHIKVYDHRI-RXVVDRJESA-N 2 2 348.494 3.174 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422838419 309371208 /nfs/dbraw/zinc/37/12/08/309371208.db2.gz XHMXUHIKVYDHRI-RXVVDRJESA-N 2 2 348.494 3.174 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422862202 309372494 /nfs/dbraw/zinc/37/24/94/309372494.db2.gz KCTZIYZAXGQQKP-XLIONFOSSA-N 2 2 342.483 3.068 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000422864884 309372572 /nfs/dbraw/zinc/37/25/72/309372572.db2.gz WRRBVCZEFUHVAJ-WMZOPIPTSA-N 2 2 326.440 3.336 20 0 EGADLP CCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000422889887 309374470 /nfs/dbraw/zinc/37/44/70/309374470.db2.gz QQXTXDWBAIGJQL-DOMZBBRYSA-N 2 2 328.403 3.307 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422906943 309375534 /nfs/dbraw/zinc/37/55/34/309375534.db2.gz KQEKFBNWHRDKKG-BBRMVZONSA-N 2 2 344.421 3.340 20 0 EGADLP CC[C@@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000422997439 309380086 /nfs/dbraw/zinc/38/00/86/309380086.db2.gz BBKQKWBHWSPTIL-CVEARBPZSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011105 309380770 /nfs/dbraw/zinc/38/07/70/309380770.db2.gz YZYAQYBMZFCVEP-JXFKEZNVSA-N 3 2 327.472 3.142 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]1 ZINC000423011105 309380771 /nfs/dbraw/zinc/38/07/71/309380771.db2.gz YZYAQYBMZFCVEP-JXFKEZNVSA-N 3 2 327.472 3.142 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000423046911 309382796 /nfs/dbraw/zinc/38/27/96/309382796.db2.gz FITOCZCBYHQIOY-UVFQYZLESA-N 3 2 326.488 3.191 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085459 309385275 /nfs/dbraw/zinc/38/52/75/309385275.db2.gz KQKGCZYBHUOKOK-CZAAIQMYSA-N 2 2 349.478 3.000 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2cccc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423087366 309385345 /nfs/dbraw/zinc/38/53/45/309385345.db2.gz PHXSFJOTKWGFJR-VQTJNVASSA-N 2 2 325.456 3.024 20 0 EGADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H]1CC[NH2+]C1 ZINC000423128617 309387516 /nfs/dbraw/zinc/38/75/16/309387516.db2.gz VWIZRCWHPYQCFT-IAQYHMDHSA-N 2 2 334.261 3.259 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)nnn1-c1ccc(F)cc1 ZINC000423177215 309389352 /nfs/dbraw/zinc/38/93/52/309389352.db2.gz IKOSYZAETJTLJB-CYBMUJFWSA-N 2 2 331.439 3.027 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188646 309389656 /nfs/dbraw/zinc/38/96/56/309389656.db2.gz LYAGSXOMFZMMHI-TUFLPTIASA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188646 309389657 /nfs/dbraw/zinc/38/96/57/309389657.db2.gz LYAGSXOMFZMMHI-TUFLPTIASA-N 3 2 327.516 3.019 20 0 EGADLP [NH3+]CC[NH2+][C@H](Cc1ccccc1F)c1ccccc1Br ZINC000423193055 309389831 /nfs/dbraw/zinc/38/98/31/309389831.db2.gz WJDVQRBPKRODRN-MRXNPFEDSA-N 2 2 337.236 3.420 20 0 EGADLP Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219209 309390998 /nfs/dbraw/zinc/39/09/98/309390998.db2.gz SXDODKNYJMHNOG-NRFANRHFSA-N 2 2 337.467 3.448 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000423218345 309391048 /nfs/dbraw/zinc/39/10/48/309391048.db2.gz RRJHUTHNDIOHFZ-OUAUKWLOSA-N 2 2 330.245 3.022 20 0 EGADLP Fc1cc(Br)ccc1[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423304242 309394628 /nfs/dbraw/zinc/39/46/28/309394628.db2.gz NQMADWOFDFDPIU-KRWDZBQOSA-N 2 2 349.247 3.487 20 0 EGADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423318949 309394915 /nfs/dbraw/zinc/39/49/15/309394915.db2.gz LEZWEFVHLHTANC-QPUJVOFHSA-N 2 2 336.329 3.277 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423329241 309395559 /nfs/dbraw/zinc/39/55/59/309395559.db2.gz OHUQGLJXMZAHFK-SECBINFHSA-N 2 2 336.329 3.421 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000423337378 309396048 /nfs/dbraw/zinc/39/60/48/309396048.db2.gz QTQHKUJRALWQIY-GUYCJALGSA-N 2 2 344.484 3.156 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000423337378 309396049 /nfs/dbraw/zinc/39/60/49/309396049.db2.gz QTQHKUJRALWQIY-GUYCJALGSA-N 2 2 344.484 3.156 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000423364745 309397249 /nfs/dbraw/zinc/39/72/49/309397249.db2.gz JWPHOQBXBVGUIB-IOHHAYIISA-N 2 2 346.425 3.168 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)s1 ZINC000423373425 309397576 /nfs/dbraw/zinc/39/75/76/309397576.db2.gz BUIXUZCNHHWWMU-JSGCOSHPSA-N 2 2 325.522 3.069 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc(F)c1 ZINC000423386020 309398085 /nfs/dbraw/zinc/39/80/85/309398085.db2.gz LCKREDTWMGQVPF-SJORKVTESA-N 2 2 330.451 3.016 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1OC(F)F ZINC000423414839 309399176 /nfs/dbraw/zinc/39/91/76/309399176.db2.gz CPKWBQYQZSIICO-YOEHRIQHSA-N 2 2 328.403 3.097 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CCC[NH2+]1 ZINC000423417646 309399510 /nfs/dbraw/zinc/39/95/10/309399510.db2.gz HHERTSLMAWGOKM-GOEBONIOSA-N 2 2 326.893 3.235 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cc(Cl)ccc1OC ZINC000423417358 309399532 /nfs/dbraw/zinc/39/95/32/309399532.db2.gz GXKMPXRRIQJBBV-WBVHZDCISA-N 2 2 326.868 3.158 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423424983 309399924 /nfs/dbraw/zinc/39/99/24/309399924.db2.gz MBXWIFKNOIVCMY-OALUTQOASA-N 2 2 338.451 3.168 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cc(Cl)ccc1Cl ZINC000424339023 309439685 /nfs/dbraw/zinc/43/96/85/309439685.db2.gz VELWCZCWYFUKRJ-OASPWFOLSA-N 2 2 330.259 3.180 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000436279507 309751609 /nfs/dbraw/zinc/75/16/09/309751609.db2.gz JFKKTXGJZDMUHC-RMVXJAJNSA-N 2 2 330.516 3.487 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000443201692 309896996 /nfs/dbraw/zinc/89/69/96/309896996.db2.gz IQKHWNJTLGYNJO-ZWOKBUDYSA-N 2 2 333.520 3.223 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552418 310006049 /nfs/dbraw/zinc/00/60/49/310006049.db2.gz XFUQZPNWMMVWAR-IBGZPJMESA-N 2 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552418 310006050 /nfs/dbraw/zinc/00/60/50/310006050.db2.gz XFUQZPNWMMVWAR-IBGZPJMESA-N 2 2 340.515 3.426 20 0 EGADLP C[C@@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018162 310029461 /nfs/dbraw/zinc/02/94/61/310029461.db2.gz ROJKWRVBUVBNHH-GJZGRUSLSA-N 2 2 338.442 3.253 20 0 EGADLP C[C@@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018162 310029462 /nfs/dbraw/zinc/02/94/62/310029462.db2.gz ROJKWRVBUVBNHH-GJZGRUSLSA-N 2 2 338.442 3.253 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037640 310031979 /nfs/dbraw/zinc/03/19/79/310031979.db2.gz NRGLUKAUPUQGEF-LJQANCHMSA-N 2 2 344.499 3.402 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037640 310031980 /nfs/dbraw/zinc/03/19/80/310031980.db2.gz NRGLUKAUPUQGEF-LJQANCHMSA-N 2 2 344.499 3.402 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037640 310031981 /nfs/dbraw/zinc/03/19/81/310031981.db2.gz NRGLUKAUPUQGEF-LJQANCHMSA-N 2 2 344.499 3.402 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449037640 310031982 /nfs/dbraw/zinc/03/19/82/310031982.db2.gz NRGLUKAUPUQGEF-LJQANCHMSA-N 2 2 344.499 3.402 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229169 310046163 /nfs/dbraw/zinc/04/61/63/310046163.db2.gz YTRPYAJQGZDYNI-PKOBYXMFSA-N 2 2 341.524 3.454 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229169 310046164 /nfs/dbraw/zinc/04/61/64/310046164.db2.gz YTRPYAJQGZDYNI-PKOBYXMFSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229169 310046165 /nfs/dbraw/zinc/04/61/65/310046165.db2.gz YTRPYAJQGZDYNI-PKOBYXMFSA-N 2 2 341.524 3.454 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)[C@@H]2C1 ZINC000449229169 310046166 /nfs/dbraw/zinc/04/61/66/310046166.db2.gz YTRPYAJQGZDYNI-PKOBYXMFSA-N 2 2 341.524 3.454 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449385967 310057959 /nfs/dbraw/zinc/05/79/59/310057959.db2.gz GXMZEXRTULBLDL-PMPSAXMXSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449385967 310057960 /nfs/dbraw/zinc/05/79/60/310057960.db2.gz GXMZEXRTULBLDL-PMPSAXMXSA-N 2 2 347.528 3.225 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387536 310058122 /nfs/dbraw/zinc/05/81/22/310058122.db2.gz LUZQQBXJSQJZPL-KBPBESRZSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387536 310058123 /nfs/dbraw/zinc/05/81/23/310058123.db2.gz LUZQQBXJSQJZPL-KBPBESRZSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398456 310058875 /nfs/dbraw/zinc/05/88/75/310058875.db2.gz VASMOQNOPQXHCL-LBDPXKHJSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398456 310058876 /nfs/dbraw/zinc/05/88/76/310058876.db2.gz VASMOQNOPQXHCL-LBDPXKHJSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000449439104 310062168 /nfs/dbraw/zinc/06/21/68/310062168.db2.gz SBFXNOKQOPDQQA-ISTRZQFTSA-N 2 2 342.405 3.344 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000449439104 310062169 /nfs/dbraw/zinc/06/21/69/310062169.db2.gz SBFXNOKQOPDQQA-ISTRZQFTSA-N 2 2 342.405 3.344 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]ccc3c(OC)cccc32)C1 ZINC000450363447 310117968 /nfs/dbraw/zinc/11/79/68/310117968.db2.gz JGIUFVYKRQFBCN-INIZCTEOSA-N 2 2 343.471 3.181 20 0 EGADLP C[C@@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450638217 310134281 /nfs/dbraw/zinc/13/42/81/310134281.db2.gz BLOMKOQHCHSJCH-IQIXRORZSA-N 2 2 345.575 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450638217 310134282 /nfs/dbraw/zinc/13/42/82/310134282.db2.gz BLOMKOQHCHSJCH-IQIXRORZSA-N 2 2 345.575 3.161 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCSC[C@H]3C3CC3)CC2)cc1 ZINC000451658496 310191765 /nfs/dbraw/zinc/19/17/65/310191765.db2.gz XTXKLGHCCJOGHG-FQEVSTJZSA-N 2 2 345.556 3.026 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCSC[C@H]3C3CC3)CC2)cc1 ZINC000451658496 310191766 /nfs/dbraw/zinc/19/17/66/310191766.db2.gz XTXKLGHCCJOGHG-FQEVSTJZSA-N 2 2 345.556 3.026 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000452449832 310228224 /nfs/dbraw/zinc/22/82/24/310228224.db2.gz DSVACYVGCHYPJX-QGZVFWFLSA-N 2 2 334.508 3.232 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c[nH+]1 ZINC000453056035 310254645 /nfs/dbraw/zinc/25/46/45/310254645.db2.gz KOCGQNKAFUCZLD-ACRUOGEOSA-N 3 2 338.499 3.306 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c[nH+]1 ZINC000453056035 310254646 /nfs/dbraw/zinc/25/46/46/310254646.db2.gz KOCGQNKAFUCZLD-ACRUOGEOSA-N 3 2 338.499 3.306 20 0 EGADLP CC[C@H](C)[N@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094461 310257553 /nfs/dbraw/zinc/25/75/53/310257553.db2.gz PRDZAVYORSNQDX-YOEHRIQHSA-N 2 2 334.895 3.483 20 0 EGADLP CC[C@H](C)[N@@H+](C)CCN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094461 310257554 /nfs/dbraw/zinc/25/75/54/310257554.db2.gz PRDZAVYORSNQDX-YOEHRIQHSA-N 2 2 334.895 3.483 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000453107856 310258616 /nfs/dbraw/zinc/25/86/16/310258616.db2.gz MRAFNQZQTUXQPU-SXLOBPIMSA-N 2 2 326.488 3.333 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000453107856 310258617 /nfs/dbraw/zinc/25/86/17/310258617.db2.gz MRAFNQZQTUXQPU-SXLOBPIMSA-N 2 2 326.488 3.333 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453254378 310267068 /nfs/dbraw/zinc/26/70/68/310267068.db2.gz DORLCALAKFVTIG-XLIONFOSSA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453254378 310267069 /nfs/dbraw/zinc/26/70/69/310267069.db2.gz DORLCALAKFVTIG-XLIONFOSSA-N 2 2 346.515 3.460 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453312503 310270487 /nfs/dbraw/zinc/27/04/87/310270487.db2.gz HDAYRGRLIRLWDU-HBFSDRIKSA-N 2 2 343.515 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000453312503 310270488 /nfs/dbraw/zinc/27/04/88/310270488.db2.gz HDAYRGRLIRLWDU-HBFSDRIKSA-N 2 2 343.515 3.231 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453312504 310270523 /nfs/dbraw/zinc/27/05/23/310270523.db2.gz HDAYRGRLIRLWDU-QWFCFKBJSA-N 2 2 343.515 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000453312504 310270524 /nfs/dbraw/zinc/27/05/24/310270524.db2.gz HDAYRGRLIRLWDU-QWFCFKBJSA-N 2 2 343.515 3.231 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)C1CC1 ZINC000453331390 310271510 /nfs/dbraw/zinc/27/15/10/310271510.db2.gz UAEZKBZLZXQJSO-HXUWFJFHSA-N 2 2 329.488 3.388 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CC[C@H](C)O3)c[nH+]c12 ZINC000453622951 310285302 /nfs/dbraw/zinc/28/53/02/310285302.db2.gz BBYNHNQBFFUPQI-FZMZJTMJSA-N 2 2 338.249 3.062 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000454627276 310320931 /nfs/dbraw/zinc/32/09/31/310320931.db2.gz WDICWIISXKMNOA-HOTGVXAUSA-N 2 2 337.512 3.020 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(C)[nH+]1 ZINC000455480796 310362952 /nfs/dbraw/zinc/36/29/52/310362952.db2.gz OOIGSYGHKMYPKN-SFHVURJKSA-N 2 2 340.471 3.301 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)ccc21 ZINC000456272126 310396001 /nfs/dbraw/zinc/39/60/01/310396001.db2.gz LDGWYQFQQJFHKX-LEWJYISDSA-N 2 2 349.478 3.449 20 0 EGADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000456272126 310396002 /nfs/dbraw/zinc/39/60/02/310396002.db2.gz LDGWYQFQQJFHKX-LEWJYISDSA-N 2 2 349.478 3.449 20 0 EGADLP CC(C)[C@H]1C[C@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CS1 ZINC000488443801 311065906 /nfs/dbraw/zinc/06/59/06/311065906.db2.gz BZVCSVLOQNQCGU-ZWKOTPCHSA-N 2 2 340.577 3.389 20 0 EGADLP COc1cccc2c(N3CC[N@@H+]([C@@H]4C[C@H]4C)C[C@@H](C)C3)cc[nH+]c12 ZINC000488723201 311076594 /nfs/dbraw/zinc/07/65/94/311076594.db2.gz WLUHDVGQLDQXMQ-HDMKZQKVSA-N 2 2 325.456 3.410 20 0 EGADLP COc1cccc2c(N3CC[N@H+]([C@@H]4C[C@H]4C)C[C@@H](C)C3)cc[nH+]c12 ZINC000488723201 311076596 /nfs/dbraw/zinc/07/65/96/311076596.db2.gz WLUHDVGQLDQXMQ-HDMKZQKVSA-N 2 2 325.456 3.410 20 0 EGADLP CC(C)(C)c1cc(N[C@H]2CCn3cc[nH+]c3C2)nc(C(C)(C)C)[nH+]1 ZINC000489938134 311126132 /nfs/dbraw/zinc/12/61/32/311126132.db2.gz MMXZXJORHSHIBD-ZDUSSCGKSA-N 2 2 327.476 3.117 20 0 EGADLP O=C(/C=C/c1ccc2ccccc2n1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491882867 311195147 /nfs/dbraw/zinc/19/51/47/311195147.db2.gz KGZZXFGWFZZNMZ-BQYQJAHWSA-N 2 2 341.374 3.467 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000491967716 311203680 /nfs/dbraw/zinc/20/36/80/311203680.db2.gz WWZWMKGEFSYQJK-OKDAXQKWSA-N 2 2 340.471 3.032 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493527401 311390275 /nfs/dbraw/zinc/39/02/75/311390275.db2.gz RZGOUGKBUVJLHM-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493527401 311390276 /nfs/dbraw/zinc/39/02/76/311390276.db2.gz RZGOUGKBUVJLHM-SCOAYWHSSA-N 2 2 338.455 3.114 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000496034884 311651827 /nfs/dbraw/zinc/65/18/27/311651827.db2.gz HJNXPBZEHUDMEF-HNNXBMFYSA-N 2 2 348.491 3.236 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000504138029 312001252 /nfs/dbraw/zinc/00/12/52/312001252.db2.gz KFFBTHZFAYSLFV-UHFFFAOYSA-N 2 2 344.503 3.176 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506477210 312050333 /nfs/dbraw/zinc/05/03/33/312050333.db2.gz AILKEHQNGQNPMI-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506477210 312050335 /nfs/dbraw/zinc/05/03/35/312050335.db2.gz AILKEHQNGQNPMI-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506477210 312050336 /nfs/dbraw/zinc/05/03/36/312050336.db2.gz AILKEHQNGQNPMI-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506477210 312050339 /nfs/dbraw/zinc/05/03/39/312050339.db2.gz AILKEHQNGQNPMI-MOPGFXCFSA-N 2 2 337.552 3.221 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721537 312100740 /nfs/dbraw/zinc/10/07/40/312100740.db2.gz VHRHHDOEBOPNBT-SFHLNBCPSA-N 3 2 329.532 3.361 20 0 EGADLP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985032 312152349 /nfs/dbraw/zinc/15/23/49/312152349.db2.gz YZTMLYQEXHCLNN-DFQSSKMNSA-N 2 2 329.532 3.217 20 0 EGADLP CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000510985032 312152351 /nfs/dbraw/zinc/15/23/51/312152351.db2.gz YZTMLYQEXHCLNN-DFQSSKMNSA-N 2 2 329.532 3.217 20 0 EGADLP Cc1[nH]c2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2[nH+]1 ZINC000515430618 312282463 /nfs/dbraw/zinc/28/24/63/312282463.db2.gz XMWWGLMSFLUFOM-HNNXBMFYSA-N 2 2 344.484 3.027 20 0 EGADLP Cc1[nH]c2cc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)ccc2[nH+]1 ZINC000515430618 312282466 /nfs/dbraw/zinc/28/24/66/312282466.db2.gz XMWWGLMSFLUFOM-HNNXBMFYSA-N 2 2 344.484 3.027 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@@H](c4ccncc4)C3)c2)c[nH+]1 ZINC000515458999 312283789 /nfs/dbraw/zinc/28/37/89/312283789.db2.gz ZTDMPZHDPYATIF-CRAIPNDOSA-N 2 2 340.452 3.339 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1C ZINC000515673369 312294466 /nfs/dbraw/zinc/29/44/66/312294466.db2.gz WNKSVDRBBWNFJB-LJQANCHMSA-N 3 2 326.488 3.120 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000515673369 312294469 /nfs/dbraw/zinc/29/44/69/312294469.db2.gz WNKSVDRBBWNFJB-LJQANCHMSA-N 3 2 326.488 3.120 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223553 312315279 /nfs/dbraw/zinc/31/52/79/312315279.db2.gz XCQSVGDSIQWEPW-JXFKEZNVSA-N 2 2 334.467 3.183 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000516223553 312315282 /nfs/dbraw/zinc/31/52/82/312315282.db2.gz XCQSVGDSIQWEPW-JXFKEZNVSA-N 2 2 334.467 3.183 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000517677511 312387900 /nfs/dbraw/zinc/38/79/00/312387900.db2.gz KZTADSAOEAHJIS-VQTJNVASSA-N 2 2 349.482 3.481 20 0 EGADLP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000528388764 313081368 /nfs/dbraw/zinc/08/13/68/313081368.db2.gz QSIXNRAUEXYBQS-MJGOQNOKSA-N 2 2 343.446 3.212 20 0 EGADLP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000528388764 313081371 /nfs/dbraw/zinc/08/13/71/313081371.db2.gz QSIXNRAUEXYBQS-MJGOQNOKSA-N 2 2 343.446 3.212 20 0 EGADLP Cc1ccc2sc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)nc2c1 ZINC000528425183 313090661 /nfs/dbraw/zinc/09/06/61/313090661.db2.gz OSNAJVYCJQLINX-BHYGNILZSA-N 2 2 345.512 3.288 20 0 EGADLP Cc1ccc2sc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)nc2c1 ZINC000528425183 313090663 /nfs/dbraw/zinc/09/06/63/313090663.db2.gz OSNAJVYCJQLINX-BHYGNILZSA-N 2 2 345.512 3.288 20 0 EGADLP C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774297 313170482 /nfs/dbraw/zinc/17/04/82/313170482.db2.gz UMZAIEMRGKFODR-SJLPKXTDSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774297 313170483 /nfs/dbraw/zinc/17/04/83/313170483.db2.gz UMZAIEMRGKFODR-SJLPKXTDSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@@H]1CC(F)(F)CC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000528774297 313170486 /nfs/dbraw/zinc/17/04/86/313170486.db2.gz UMZAIEMRGKFODR-SJLPKXTDSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@@H]1CC(F)(F)CC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000528774297 313170488 /nfs/dbraw/zinc/17/04/88/313170488.db2.gz UMZAIEMRGKFODR-SJLPKXTDSA-N 2 2 338.442 3.397 20 0 EGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000535061250 314022011 /nfs/dbraw/zinc/02/20/11/314022011.db2.gz DUAAYWSYCYTLHL-UHFFFAOYSA-N 2 2 340.471 3.284 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O[C@H](C)C2 ZINC000536659801 314136400 /nfs/dbraw/zinc/13/64/00/314136400.db2.gz ZJOIDDIBJFNCFK-APWZRJJASA-N 2 2 344.499 3.469 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O[C@H](C)C2 ZINC000536659801 314136403 /nfs/dbraw/zinc/13/64/03/314136403.db2.gz ZJOIDDIBJFNCFK-APWZRJJASA-N 2 2 344.499 3.469 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000537991484 314222534 /nfs/dbraw/zinc/22/25/34/314222534.db2.gz ORGRJJOBIBEKIB-OGHNNQOOSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000537991484 314222536 /nfs/dbraw/zinc/22/25/36/314222536.db2.gz ORGRJJOBIBEKIB-OGHNNQOOSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092298 314296028 /nfs/dbraw/zinc/29/60/28/314296028.db2.gz TYLJHNYOAUHLQY-HNAYVOBHSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092298 314296032 /nfs/dbraw/zinc/29/60/32/314296032.db2.gz TYLJHNYOAUHLQY-HNAYVOBHSA-N 2 2 348.918 3.461 20 0 EGADLP Cc1cccc([C@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C(C)(C)C)c1 ZINC000539336951 314307363 /nfs/dbraw/zinc/30/73/63/314307363.db2.gz LSRRHXBJODZBNV-JYBIWHBTSA-N 2 2 348.531 3.142 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)c2cc1C ZINC000547833175 314944902 /nfs/dbraw/zinc/94/49/02/314944902.db2.gz XJTHNDUNOMICBR-VIBAHUMZSA-N 2 2 329.488 3.428 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@@H+]1C1CC1 ZINC000549116769 315076459 /nfs/dbraw/zinc/07/64/59/315076459.db2.gz PKQRWYPRNWPHBK-GJZGRUSLSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000549116769 315076461 /nfs/dbraw/zinc/07/64/61/315076461.db2.gz PKQRWYPRNWPHBK-GJZGRUSLSA-N 2 2 337.423 3.229 20 0 EGADLP c1[nH+]c2n(c1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)CCCC2 ZINC000551574273 315159600 /nfs/dbraw/zinc/15/96/00/315159600.db2.gz GEQIHJUMPCOSNC-IBGZPJMESA-N 2 2 333.439 3.083 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3n2CCCC3)CC1 ZINC000551814483 315170763 /nfs/dbraw/zinc/17/07/63/315170763.db2.gz QJAJIIYLXWFGRM-VQIMIIECSA-N 2 2 330.520 3.352 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2c[nH+]c3n2CCCC3)CC1 ZINC000551814483 315170765 /nfs/dbraw/zinc/17/07/65/315170765.db2.gz QJAJIIYLXWFGRM-VQIMIIECSA-N 2 2 330.520 3.352 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H]3C3CC3)CC2)c1 ZINC000554349052 315312154 /nfs/dbraw/zinc/31/21/54/315312154.db2.gz GUENJUBRWPHBJV-SFTDATJTSA-N 2 2 327.516 3.285 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000554523855 315327994 /nfs/dbraw/zinc/32/79/94/315327994.db2.gz GZHOULXGKQRVMT-KRWDZBQOSA-N 2 2 343.858 3.191 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000554523856 315328148 /nfs/dbraw/zinc/32/81/48/315328148.db2.gz GZHOULXGKQRVMT-QGZVFWFLSA-N 2 2 343.858 3.191 20 0 EGADLP Cc1ccsc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000554862610 315353095 /nfs/dbraw/zinc/35/30/95/315353095.db2.gz HWILLWNFLNXNHM-HNNXBMFYSA-N 2 2 329.469 3.174 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000555587092 315392845 /nfs/dbraw/zinc/39/28/45/315392845.db2.gz YLWXWZXYRAWVSD-JKSUJKDBSA-N 2 2 333.476 3.211 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697708 315398023 /nfs/dbraw/zinc/39/80/23/315398023.db2.gz UHZDYPYOLQFPMK-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697708 315398026 /nfs/dbraw/zinc/39/80/26/315398026.db2.gz UHZDYPYOLQFPMK-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697708 315398029 /nfs/dbraw/zinc/39/80/29/315398029.db2.gz UHZDYPYOLQFPMK-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC[C@H](CC4CC4)C3)C2)cc1 ZINC000555697708 315398030 /nfs/dbraw/zinc/39/80/30/315398030.db2.gz UHZDYPYOLQFPMK-NHCUHLMSSA-N 2 2 328.500 3.400 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000559245319 315622979 /nfs/dbraw/zinc/62/29/79/315622979.db2.gz XYYPBMTUFMVJTN-UHFFFAOYSA-N 2 2 327.472 3.475 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357266 316005335 /nfs/dbraw/zinc/00/53/35/316005335.db2.gz RZSDQQJMANHJEC-FQEVSTJZSA-N 2 2 330.447 3.141 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357266 316005336 /nfs/dbraw/zinc/00/53/36/316005336.db2.gz RZSDQQJMANHJEC-FQEVSTJZSA-N 2 2 330.447 3.141 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357266 316005339 /nfs/dbraw/zinc/00/53/39/316005339.db2.gz RZSDQQJMANHJEC-FQEVSTJZSA-N 2 2 330.447 3.141 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357266 316005342 /nfs/dbraw/zinc/00/53/42/316005342.db2.gz RZSDQQJMANHJEC-FQEVSTJZSA-N 2 2 330.447 3.141 20 0 EGADLP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000563656166 316052132 /nfs/dbraw/zinc/05/21/32/316052132.db2.gz LZRHTGSYAXTTLP-YLJYHZDGSA-N 2 2 340.467 3.333 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1 ZINC000563707399 316059227 /nfs/dbraw/zinc/05/92/27/316059227.db2.gz KEXZOAIXCGORGA-PXNSSMCTSA-N 2 2 326.484 3.309 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894120 316087299 /nfs/dbraw/zinc/08/72/99/316087299.db2.gz GZXFAUJUPZFQCX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894120 316087303 /nfs/dbraw/zinc/08/73/03/316087303.db2.gz GZXFAUJUPZFQCX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894120 316087304 /nfs/dbraw/zinc/08/73/04/316087304.db2.gz GZXFAUJUPZFQCX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000563894120 316087308 /nfs/dbraw/zinc/08/73/08/316087308.db2.gz GZXFAUJUPZFQCX-FQEVSTJZSA-N 2 2 339.483 3.434 20 0 EGADLP C[C@H](Nc1[nH+]c2cccc(F)c2n1C)[C@H](c1ccccc1)[NH+](C)C ZINC000564584638 316170908 /nfs/dbraw/zinc/17/09/08/316170908.db2.gz WVUVABOTLQTFOT-SUMWQHHRSA-N 2 2 326.419 3.238 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)CCC[NH3+])cc3)[nH+]c12 ZINC000564654729 316182879 /nfs/dbraw/zinc/18/28/79/316182879.db2.gz BSKIMEHJDNJSKY-UHFFFAOYSA-N 3 2 338.455 3.002 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)CCC[NH3+])cc3)[nH+]c12 ZINC000564654729 316182882 /nfs/dbraw/zinc/18/28/82/316182882.db2.gz BSKIMEHJDNJSKY-UHFFFAOYSA-N 3 2 338.455 3.002 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000564826264 316213077 /nfs/dbraw/zinc/21/30/77/316213077.db2.gz IGHJWAJGYZTOIX-QZTJIDSGSA-N 2 2 343.858 3.361 20 0 EGADLP C[C@@H](CC[N@@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930700 316233713 /nfs/dbraw/zinc/23/37/13/316233713.db2.gz XRHHVTQAVBZEQK-RCCFBDPRSA-N 2 2 336.520 3.052 20 0 EGADLP C[C@@H](CC[N@H+]1C[C@@H](C)OC2(CCC2)C1)[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930700 316233714 /nfs/dbraw/zinc/23/37/14/316233714.db2.gz XRHHVTQAVBZEQK-RCCFBDPRSA-N 2 2 336.520 3.052 20 0 EGADLP C[C@@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930700 316233715 /nfs/dbraw/zinc/23/37/15/316233715.db2.gz XRHHVTQAVBZEQK-RCCFBDPRSA-N 2 2 336.520 3.052 20 0 EGADLP C[C@@H](CC[NH+]1C[C@@H](C)OC2(CCC2)C1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564930700 316233716 /nfs/dbraw/zinc/23/37/16/316233716.db2.gz XRHHVTQAVBZEQK-RCCFBDPRSA-N 2 2 336.520 3.052 20 0 EGADLP CC(C)c1[nH+]c(CN2CC[NH+](Cc3cccnc3)CC2)c2ccccn21 ZINC000565084259 316263103 /nfs/dbraw/zinc/26/31/03/316263103.db2.gz UVLJJNKPNKKUGW-UHFFFAOYSA-N 2 2 349.482 3.171 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)ccc2n1C1CC1 ZINC000565605583 316346507 /nfs/dbraw/zinc/34/65/07/316346507.db2.gz UALHHBQXODQXGY-CYBMUJFWSA-N 2 2 337.427 3.144 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295745 317036209 /nfs/dbraw/zinc/03/62/09/317036209.db2.gz MAPNZNMZULWZCW-HOTGVXAUSA-N 2 2 344.503 3.146 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000570295745 317036222 /nfs/dbraw/zinc/03/62/22/317036222.db2.gz MAPNZNMZULWZCW-HOTGVXAUSA-N 2 2 344.503 3.146 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)ccn12 ZINC000570341997 317042856 /nfs/dbraw/zinc/04/28/56/317042856.db2.gz XYSAJKSOVGQKSA-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000570959059 317133078 /nfs/dbraw/zinc/13/30/78/317133078.db2.gz VDFULTYFHGDGGJ-QGZVFWFLSA-N 2 2 325.456 3.092 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+]1CC(C)C1 ZINC000572853935 317402432 /nfs/dbraw/zinc/40/24/32/317402432.db2.gz SUFVTVMCLIDRGJ-OAHLLOKOSA-N 2 2 338.455 3.165 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H](C)CC(=O)N(C)C)[NH+](CC)CC)cc1 ZINC000573584475 317505857 /nfs/dbraw/zinc/50/58/57/317505857.db2.gz LDXQQLNSHYEGEZ-APWZRJJASA-N 2 2 333.520 3.088 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000177581333 323343072 /nfs/dbraw/zinc/34/30/72/323343072.db2.gz UZEUFMJHDCPSJP-GOSISDBHSA-N 2 2 339.414 3.359 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ncc(Br)s1 ZINC000179195454 323373486 /nfs/dbraw/zinc/37/34/86/323373486.db2.gz ABPAJBATSNFKHQ-LLVKDONJSA-N 2 2 332.311 3.432 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1noc(C23CCC[NH+]2CCC3)n1 ZINC000351208554 324195683 /nfs/dbraw/zinc/19/56/83/324195683.db2.gz QTYFGLMXCQUMGO-UHFFFAOYSA-N 2 2 337.427 3.115 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000381408897 324246586 /nfs/dbraw/zinc/24/65/86/324246586.db2.gz XHRGWGSHBGNONA-GJZGRUSLSA-N 2 2 344.459 3.264 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000381857973 324247919 /nfs/dbraw/zinc/24/79/19/324247919.db2.gz UWUFBPRRLKDDJI-CYBMUJFWSA-N 2 2 341.293 3.278 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(Br)c1 ZINC000381857973 324247921 /nfs/dbraw/zinc/24/79/21/324247921.db2.gz UWUFBPRRLKDDJI-CYBMUJFWSA-N 2 2 341.293 3.278 20 0 EGADLP C[N@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000384814464 324261213 /nfs/dbraw/zinc/26/12/13/324261213.db2.gz CWVGOSKNGPUMBV-UHFFFAOYSA-N 2 2 336.650 3.007 20 0 EGADLP C[N@@H+](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CC([NH3+])C1 ZINC000384814464 324261215 /nfs/dbraw/zinc/26/12/15/324261215.db2.gz CWVGOSKNGPUMBV-UHFFFAOYSA-N 2 2 336.650 3.007 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1F ZINC000495151909 324382079 /nfs/dbraw/zinc/38/20/79/324382079.db2.gz APHBNKFPAPPRPQ-UHFFFAOYSA-N 2 2 329.419 3.250 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000578746313 325012341 /nfs/dbraw/zinc/01/23/41/325012341.db2.gz MWLNVBOSJYDQSY-VQTJNVASSA-N 2 2 343.515 3.179 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000578746313 325012345 /nfs/dbraw/zinc/01/23/45/325012345.db2.gz MWLNVBOSJYDQSY-VQTJNVASSA-N 2 2 343.515 3.179 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000578746312 325012674 /nfs/dbraw/zinc/01/26/74/325012674.db2.gz MWLNVBOSJYDQSY-UXHICEINSA-N 2 2 343.515 3.179 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000578746312 325012678 /nfs/dbraw/zinc/01/26/78/325012678.db2.gz MWLNVBOSJYDQSY-UXHICEINSA-N 2 2 343.515 3.179 20 0 EGADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnc(C3CCCCC3)s2)CC1 ZINC000580095238 325203652 /nfs/dbraw/zinc/20/36/52/325203652.db2.gz NBNOQXOAPSLECC-UHFFFAOYSA-N 2 2 337.533 3.127 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646956 325278063 /nfs/dbraw/zinc/27/80/63/325278063.db2.gz SCMGXTXMGNMFGY-MSOLQXFVSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646956 325278064 /nfs/dbraw/zinc/27/80/64/325278064.db2.gz SCMGXTXMGNMFGY-MSOLQXFVSA-N 2 2 347.547 3.022 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CCCC[C@@H]2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000580708778 325286596 /nfs/dbraw/zinc/28/65/96/325286596.db2.gz XZUHCONGSCOFTA-MUGJNUQGSA-N 2 2 332.488 3.019 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@]2(C)CCCC[C@H]2O)[C@H]2CCC[NH2+]2)cc1 ZINC000580708780 325286850 /nfs/dbraw/zinc/28/68/50/325286850.db2.gz XZUHCONGSCOFTA-ZRNYENFQSA-N 2 2 332.488 3.019 20 0 EGADLP C[C@H](CCC[NH3+])NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000580892615 325306476 /nfs/dbraw/zinc/30/64/76/325306476.db2.gz NVWKPUPAAHIXIV-GFCCVEGCSA-N 2 2 333.819 3.385 20 0 EGADLP O[C@@H](C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000580934357 325310669 /nfs/dbraw/zinc/31/06/69/325310669.db2.gz RRTLPUMENWZMHV-MSOLQXFVSA-N 2 2 348.487 3.217 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000581245192 325345435 /nfs/dbraw/zinc/34/54/35/325345435.db2.gz FWUDARDSCVAGHD-KUHUBIRLSA-N 2 2 337.467 3.484 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C2(Cc3ccccc3Br)CC2)n1C ZINC000581499596 325366905 /nfs/dbraw/zinc/36/69/05/325366905.db2.gz LXLYITAHNCYNNG-UHFFFAOYSA-N 2 2 334.261 3.356 20 0 EGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000581551098 325371110 /nfs/dbraw/zinc/37/11/10/325371110.db2.gz AUGRDOGIFLPELO-SJORKVTESA-N 2 2 327.497 3.414 20 0 EGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000581551098 325371107 /nfs/dbraw/zinc/37/11/07/325371107.db2.gz AUGRDOGIFLPELO-SJORKVTESA-N 2 2 327.497 3.414 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441351058 458924333 /nfs/dbraw/zinc/92/43/33/458924333.db2.gz WAKNWLFDJZUDRJ-MSOLQXFVSA-N 2 2 325.541 3.124 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093498 455268668 /nfs/dbraw/zinc/26/86/68/455268668.db2.gz UBCBTKPSCWUSQM-HIFRSBDPSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093498 455268673 /nfs/dbraw/zinc/26/86/73/455268673.db2.gz UBCBTKPSCWUSQM-HIFRSBDPSA-N 2 2 347.894 3.222 20 0 EGADLP CC[C@H](C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)[NH+](C)C ZINC000158075137 455266135 /nfs/dbraw/zinc/26/61/35/455266135.db2.gz FJARTVKCZGGWQQ-QGZVFWFLSA-N 2 2 326.444 3.165 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000173640337 455321125 /nfs/dbraw/zinc/32/11/25/455321125.db2.gz KLOXLYKILFIHLC-OAHLLOKOSA-N 2 2 329.444 3.103 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H]3CC[N@@H+]3C3CCCCC3)cc2[nH+]1 ZINC000626617617 460600668 /nfs/dbraw/zinc/60/06/68/460600668.db2.gz RWIPKLURVAGITA-QGZVFWFLSA-N 2 2 341.459 3.171 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@H]3CC[N@H+]3C3CCCCC3)cc2[nH+]1 ZINC000626617617 460600669 /nfs/dbraw/zinc/60/06/69/460600669.db2.gz RWIPKLURVAGITA-QGZVFWFLSA-N 2 2 341.459 3.171 20 0 EGADLP CC(C[NH+]1CC(C)(C)OCC1(C)C)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000605575206 460606432 /nfs/dbraw/zinc/60/64/32/460606432.db2.gz PWJSDJXCFBBBHS-UHFFFAOYSA-N 2 2 340.552 3.401 20 0 EGADLP CC(C[NH+]1CC(C)(C)OCC1(C)C)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000605575206 460606437 /nfs/dbraw/zinc/60/64/37/460606437.db2.gz PWJSDJXCFBBBHS-UHFFFAOYSA-N 2 2 340.552 3.401 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)on1 ZINC000623575001 460620433 /nfs/dbraw/zinc/62/04/33/460620433.db2.gz FPLHLFXQYSDEIG-CQSZACIVSA-N 2 2 329.444 3.313 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)on1 ZINC000623575001 460620436 /nfs/dbraw/zinc/62/04/36/460620436.db2.gz FPLHLFXQYSDEIG-CQSZACIVSA-N 2 2 329.444 3.313 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000030651654 453837316 /nfs/dbraw/zinc/83/73/16/453837316.db2.gz MPCMECTZPLTENE-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP c1cnn(-c2ccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cc2)c1 ZINC000030901861 453841169 /nfs/dbraw/zinc/84/11/69/453841169.db2.gz MSDVPSLHCXIHNG-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000052685369 453841338 /nfs/dbraw/zinc/84/13/38/453841338.db2.gz DUWDABOKFTUAGP-UHFFFAOYSA-N 2 2 328.435 3.370 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc2ccccc2c1)C[N@@H+]1CCc2ccccc2C1 ZINC000030903838 453841777 /nfs/dbraw/zinc/84/17/77/453841777.db2.gz HVCWPTLCRROGQO-HSZRJFAPSA-N 2 2 346.474 3.349 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc2ccccc2c1)C[N@H+]1CCc2ccccc2C1 ZINC000030903838 453841779 /nfs/dbraw/zinc/84/17/79/453841779.db2.gz HVCWPTLCRROGQO-HSZRJFAPSA-N 2 2 346.474 3.349 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075103985 453861076 /nfs/dbraw/zinc/86/10/76/453861076.db2.gz KQMWRGGZKNSCEH-OYLFLEFRSA-N 2 2 339.464 3.461 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000053546265 453885927 /nfs/dbraw/zinc/88/59/27/453885927.db2.gz QAFRCHKNSNWGKI-UHFFFAOYSA-N 2 2 344.378 3.014 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572057 453889797 /nfs/dbraw/zinc/88/97/97/453889797.db2.gz SXHHTXTUTGQDBD-PKOBYXMFSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572057 453889799 /nfs/dbraw/zinc/88/97/99/453889799.db2.gz SXHHTXTUTGQDBD-PKOBYXMFSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572057 453889801 /nfs/dbraw/zinc/88/98/01/453889801.db2.gz SXHHTXTUTGQDBD-PKOBYXMFSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572057 453889805 /nfs/dbraw/zinc/88/98/05/453889805.db2.gz SXHHTXTUTGQDBD-PKOBYXMFSA-N 2 2 335.536 3.045 20 0 EGADLP COc1cc2c(cc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1)O[C@H](C)C2 ZINC000067250200 453914845 /nfs/dbraw/zinc/91/48/45/453914845.db2.gz CINAIYHRIAPELS-OAHLLOKOSA-N 2 2 349.434 3.494 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860127 453932455 /nfs/dbraw/zinc/93/24/55/453932455.db2.gz CJJSENGFGMBAST-AEFFLSMTSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860127 453932459 /nfs/dbraw/zinc/93/24/59/453932459.db2.gz CJJSENGFGMBAST-AEFFLSMTSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860127 453932462 /nfs/dbraw/zinc/93/24/62/453932462.db2.gz CJJSENGFGMBAST-AEFFLSMTSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860127 453932466 /nfs/dbraw/zinc/93/24/66/453932466.db2.gz CJJSENGFGMBAST-AEFFLSMTSA-N 2 2 331.504 3.382 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000076002700 453947644 /nfs/dbraw/zinc/94/76/44/453947644.db2.gz GXLFWCOBWAJZTO-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000076002700 453947647 /nfs/dbraw/zinc/94/76/47/453947647.db2.gz GXLFWCOBWAJZTO-MAUKXSAKSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NCCCCNc1cccc[nH+]1 ZINC000068419638 454025124 /nfs/dbraw/zinc/02/51/24/454025124.db2.gz KQOKVAPUQKGIGK-UHFFFAOYSA-N 2 2 334.508 3.292 20 0 EGADLP CCC[N@@H+]1CC[C@@H](CNc2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000068670015 454043901 /nfs/dbraw/zinc/04/39/01/454043901.db2.gz GXUNWVYQCPSHDE-HNNXBMFYSA-N 2 2 325.460 3.245 20 0 EGADLP CCC[N@H+]1CC[C@@H](CNc2cc(CC)[nH+]c(-c3ccncc3)n2)C1 ZINC000068670015 454043904 /nfs/dbraw/zinc/04/39/04/454043904.db2.gz GXUNWVYQCPSHDE-HNNXBMFYSA-N 2 2 325.460 3.245 20 0 EGADLP COc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1OC ZINC000076901086 454047094 /nfs/dbraw/zinc/04/70/94/454047094.db2.gz QIJAKSUWVZWWBD-UHFFFAOYSA-N 2 2 339.439 3.313 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1Br ZINC000070534363 454169198 /nfs/dbraw/zinc/16/91/98/454169198.db2.gz YVVPKFAIFLKATK-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1Br ZINC000070534363 454169202 /nfs/dbraw/zinc/16/92/02/454169202.db2.gz YVVPKFAIFLKATK-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246106901 455428546 /nfs/dbraw/zinc/42/85/46/455428546.db2.gz CZKKHVOBYNXOKV-RTBURBONSA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246106901 455428551 /nfs/dbraw/zinc/42/85/51/455428551.db2.gz CZKKHVOBYNXOKV-RTBURBONSA-N 2 2 349.563 3.268 20 0 EGADLP c1cn(CC[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c[nH+]1 ZINC000131086018 454234427 /nfs/dbraw/zinc/23/44/27/454234427.db2.gz URDSSIHOMHSXDE-UHFFFAOYSA-N 2 2 327.428 3.447 20 0 EGADLP c1cn(CC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c[nH+]1 ZINC000131086018 454234435 /nfs/dbraw/zinc/23/44/35/454234435.db2.gz URDSSIHOMHSXDE-UHFFFAOYSA-N 2 2 327.428 3.447 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C12CCCC2 ZINC000089986157 454254829 /nfs/dbraw/zinc/25/48/29/454254829.db2.gz FDVFXMXYMJHKQQ-VQTJNVASSA-N 2 2 343.515 3.373 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C12CCCC2 ZINC000089986164 454254997 /nfs/dbraw/zinc/25/49/97/454254997.db2.gz QTRJVXSCRXOOAL-VQTJNVASSA-N 2 2 343.515 3.373 20 0 EGADLP CC(C)c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc(C(C)C)[nH+]1 ZINC000090113610 454282098 /nfs/dbraw/zinc/28/20/98/454282098.db2.gz TUTDEKSVPUMTSF-INIZCTEOSA-N 2 2 332.492 3.389 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000131910790 454297713 /nfs/dbraw/zinc/29/77/13/454297713.db2.gz FVNSJRVHINSKBV-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)cc1 ZINC000131910790 454297718 /nfs/dbraw/zinc/29/77/18/454297718.db2.gz FVNSJRVHINSKBV-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cscn2)cc1OC ZINC000060526705 454298480 /nfs/dbraw/zinc/29/84/80/454298480.db2.gz OBNUTJNEBXIOPC-UHFFFAOYSA-N 2 2 349.500 3.162 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000090585481 454323622 /nfs/dbraw/zinc/32/36/22/454323622.db2.gz ULYMOUUTTYQLMM-HXUWFJFHSA-N 3 2 344.547 3.004 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000090585481 454323629 /nfs/dbraw/zinc/32/36/29/454323629.db2.gz ULYMOUUTTYQLMM-HXUWFJFHSA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000090667083 454334280 /nfs/dbraw/zinc/33/42/80/454334280.db2.gz AENBRDIBPLZHRW-HNAYVOBHSA-N 2 2 339.487 3.008 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090780101 454340692 /nfs/dbraw/zinc/34/06/92/454340692.db2.gz BZFOVRPZJFXVER-IIBYNOLFSA-N 2 2 333.435 3.357 20 0 EGADLP COc1cc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc(OC)c1OC ZINC000090847435 454345165 /nfs/dbraw/zinc/34/51/65/454345165.db2.gz OYYFUDNHTBXORJ-CQSZACIVSA-N 2 2 330.428 3.309 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)nnn1-c1ccc(F)cc1 ZINC000090847025 454345257 /nfs/dbraw/zinc/34/52/57/454345257.db2.gz UFAQQTMVOAYBRD-AWEZNQCLSA-N 2 2 339.418 3.312 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000090852419 454346006 /nfs/dbraw/zinc/34/60/06/454346006.db2.gz REZBIACXLPJZFN-PKOBYXMFSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000090852419 454346012 /nfs/dbraw/zinc/34/60/12/454346012.db2.gz REZBIACXLPJZFN-PKOBYXMFSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000090914086 454350345 /nfs/dbraw/zinc/35/03/45/454350345.db2.gz YYDKJRVOQSVEQZ-YSSFQJQWSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000090914086 454350347 /nfs/dbraw/zinc/35/03/47/454350347.db2.gz YYDKJRVOQSVEQZ-YSSFQJQWSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000098143796 454461730 /nfs/dbraw/zinc/46/17/30/454461730.db2.gz YCDHQNMCEQFTPJ-WMLDXEAASA-N 2 2 344.421 3.449 20 0 EGADLP Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC000133739240 454462447 /nfs/dbraw/zinc/46/24/47/454462447.db2.gz VFSSJZGRAJOHES-SJLPKXTDSA-N 2 2 346.862 3.231 20 0 EGADLP Cc1cc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC000133739240 454462451 /nfs/dbraw/zinc/46/24/51/454462451.db2.gz VFSSJZGRAJOHES-SJLPKXTDSA-N 2 2 346.862 3.231 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000121794919 454477282 /nfs/dbraw/zinc/47/72/82/454477282.db2.gz DJEZSZHZFKVIPY-KSSFIOAISA-N 2 2 325.412 3.216 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000134903247 454606351 /nfs/dbraw/zinc/60/63/51/454606351.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 3 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)c[nH+]1 ZINC000134903247 454606356 /nfs/dbraw/zinc/60/63/56/454606356.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 3 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)c[nH+]1 ZINC000134903247 454606360 /nfs/dbraw/zinc/60/63/60/454606360.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 3 2 336.483 3.321 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)c[nH+]1 ZINC000134903247 454606365 /nfs/dbraw/zinc/60/63/65/454606365.db2.gz PQXPCBIWDXUCBH-WIYYLYMNSA-N 3 2 336.483 3.321 20 0 EGADLP CC(C)CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664946 454726258 /nfs/dbraw/zinc/72/62/58/454726258.db2.gz PSSRHIDRTYUJLL-HXUWFJFHSA-N 2 2 346.515 3.266 20 0 EGADLP CC(C)CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093664946 454726264 /nfs/dbraw/zinc/72/62/64/454726264.db2.gz PSSRHIDRTYUJLL-HXUWFJFHSA-N 2 2 346.515 3.266 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124441869 454733611 /nfs/dbraw/zinc/73/36/11/454733611.db2.gz ARGDZUXEESVDAD-MRXNPFEDSA-N 2 2 336.439 3.385 20 0 EGADLP COc1cc(C)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866075 454740614 /nfs/dbraw/zinc/74/06/14/454740614.db2.gz WUXCMRBOZHRGOX-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cc(C)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000093866075 454740621 /nfs/dbraw/zinc/74/06/21/454740621.db2.gz WUXCMRBOZHRGOX-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000600938397 460651733 /nfs/dbraw/zinc/65/17/33/460651733.db2.gz QWCGGBYWLJPVDP-KRWDZBQOSA-N 2 2 326.444 3.186 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000600938397 460651739 /nfs/dbraw/zinc/65/17/39/460651739.db2.gz QWCGGBYWLJPVDP-KRWDZBQOSA-N 2 2 326.444 3.186 20 0 EGADLP Cc1nc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)cc[nH+]1 ZINC000162024302 454747297 /nfs/dbraw/zinc/74/72/97/454747297.db2.gz YAUZNNPMJRFBGP-UHFFFAOYSA-N 2 2 349.276 3.116 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000124578027 454749540 /nfs/dbraw/zinc/74/95/40/454749540.db2.gz BQKOJQHAOPNKRZ-JQWIXIFHSA-N 2 2 347.684 3.293 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000124578027 454749545 /nfs/dbraw/zinc/74/95/45/454749545.db2.gz BQKOJQHAOPNKRZ-JQWIXIFHSA-N 2 2 347.684 3.293 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144728 454754203 /nfs/dbraw/zinc/75/42/03/454754203.db2.gz QAVGDYOZBSXUEW-UEXGIBASSA-N 3 2 329.532 3.278 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144728 454754206 /nfs/dbraw/zinc/75/42/06/454754206.db2.gz QAVGDYOZBSXUEW-UEXGIBASSA-N 3 2 329.532 3.278 20 0 EGADLP CCOc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000124680668 454759828 /nfs/dbraw/zinc/75/98/28/454759828.db2.gz FETBOAPRTXGJLY-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000124680668 454759831 /nfs/dbraw/zinc/75/98/31/454759831.db2.gz FETBOAPRTXGJLY-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000124680668 454759833 /nfs/dbraw/zinc/75/98/33/454759833.db2.gz FETBOAPRTXGJLY-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000124680668 454759838 /nfs/dbraw/zinc/75/98/38/454759838.db2.gz FETBOAPRTXGJLY-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000176913888 454797807 /nfs/dbraw/zinc/79/78/07/454797807.db2.gz NZTDAIDDAMCXCX-MRXNPFEDSA-N 2 2 332.492 3.090 20 0 EGADLP c1cn(-c2ccc(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)cn2)c[nH+]1 ZINC000177044107 454814936 /nfs/dbraw/zinc/81/49/36/454814936.db2.gz ZIERSCNQYXEWSW-HXUWFJFHSA-N 2 2 348.450 3.449 20 0 EGADLP c1cn(-c2ccc(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)cn2)c[nH+]1 ZINC000177044107 454814939 /nfs/dbraw/zinc/81/49/39/454814939.db2.gz ZIERSCNQYXEWSW-HXUWFJFHSA-N 2 2 348.450 3.449 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000125418997 454820878 /nfs/dbraw/zinc/82/08/78/454820878.db2.gz POJCQUWYKBAFQC-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000125418997 454820881 /nfs/dbraw/zinc/82/08/81/454820881.db2.gz POJCQUWYKBAFQC-UHFFFAOYSA-N 2 2 326.488 3.098 20 0 EGADLP Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2cccc(F)c2[nH+]1 ZINC000125592745 454833593 /nfs/dbraw/zinc/83/35/93/454833593.db2.gz MYBXDYLABPDFRJ-MRXNPFEDSA-N 2 2 343.446 3.231 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000177194114 454834458 /nfs/dbraw/zinc/83/44/58/454834458.db2.gz MFLWEWJTGTWUDD-GOEBONIOSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@H+]1C1CC1 ZINC000177194114 454834464 /nfs/dbraw/zinc/83/44/64/454834464.db2.gz MFLWEWJTGTWUDD-GOEBONIOSA-N 2 2 337.423 3.229 20 0 EGADLP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1 ZINC000635011815 460656100 /nfs/dbraw/zinc/65/61/00/460656100.db2.gz PHCNHFGXDHFIDM-IAGOWNOFSA-N 2 2 330.451 3.016 20 0 EGADLP CN(c1ccccc1C[NH2+]Cc1ncccc1F)C1CC[NH+](C)CC1 ZINC000126338374 454886919 /nfs/dbraw/zinc/88/69/19/454886919.db2.gz ZXVCJWNACKJVLW-UHFFFAOYSA-N 2 2 342.462 3.041 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000166997419 454917636 /nfs/dbraw/zinc/91/76/36/454917636.db2.gz SMAOISVPNUZILH-HNAYVOBHSA-N 2 2 342.487 3.195 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000166997419 454917639 /nfs/dbraw/zinc/91/76/39/454917639.db2.gz SMAOISVPNUZILH-HNAYVOBHSA-N 2 2 342.487 3.195 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618168 454922183 /nfs/dbraw/zinc/92/21/83/454922183.db2.gz HLVHCEMPCWXQCV-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618168 454922186 /nfs/dbraw/zinc/92/21/86/454922186.db2.gz HLVHCEMPCWXQCV-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618168 454922188 /nfs/dbraw/zinc/92/21/88/454922188.db2.gz HLVHCEMPCWXQCV-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618168 454922190 /nfs/dbraw/zinc/92/21/90/454922190.db2.gz HLVHCEMPCWXQCV-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000154741017 454925141 /nfs/dbraw/zinc/92/51/41/454925141.db2.gz FGNUXUSGAUSXAM-INIZCTEOSA-N 2 2 334.460 3.010 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000154741017 454925143 /nfs/dbraw/zinc/92/51/43/454925143.db2.gz FGNUXUSGAUSXAM-INIZCTEOSA-N 2 2 334.460 3.010 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1Cl ZINC000114198869 454946747 /nfs/dbraw/zinc/94/67/47/454946747.db2.gz UDWJOPKTNJOOEY-ZDUSSCGKSA-N 2 2 348.874 3.392 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1Cl ZINC000114198869 454946751 /nfs/dbraw/zinc/94/67/51/454946751.db2.gz UDWJOPKTNJOOEY-ZDUSSCGKSA-N 2 2 348.874 3.392 20 0 EGADLP OCCCSCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000151195151 454951479 /nfs/dbraw/zinc/95/14/79/454951479.db2.gz ZARVXNCBSZKYPU-UHFFFAOYSA-N 2 2 342.936 3.010 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000155092407 454962085 /nfs/dbraw/zinc/96/20/85/454962085.db2.gz AHYXLPOVVWZHNL-ACAXCVFMSA-N 2 2 344.499 3.218 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000155092407 454962087 /nfs/dbraw/zinc/96/20/87/454962087.db2.gz AHYXLPOVVWZHNL-ACAXCVFMSA-N 2 2 344.499 3.218 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCSC1 ZINC000155218731 454976006 /nfs/dbraw/zinc/97/60/06/454976006.db2.gz PNPYOGFBAGIAAF-HNNXBMFYSA-N 2 2 343.452 3.250 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCSC1 ZINC000155218731 454976010 /nfs/dbraw/zinc/97/60/10/454976010.db2.gz PNPYOGFBAGIAAF-HNNXBMFYSA-N 2 2 343.452 3.250 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116395874 455053867 /nfs/dbraw/zinc/05/38/67/455053867.db2.gz GKIOCWYIERMJTR-QGZVFWFLSA-N 2 2 333.520 3.452 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000179837409 455086770 /nfs/dbraw/zinc/08/67/70/455086770.db2.gz LWNBUTBTAMMLAY-UHFFFAOYSA-N 2 2 326.444 3.231 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179956204 455106061 /nfs/dbraw/zinc/10/60/61/455106061.db2.gz MTHOOTDHHUQYBX-GOSISDBHSA-N 2 2 348.450 3.119 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179956204 455106066 /nfs/dbraw/zinc/10/60/66/455106066.db2.gz MTHOOTDHHUQYBX-GOSISDBHSA-N 2 2 348.450 3.119 20 0 EGADLP CN(C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1)C(=O)OC(C)(C)C ZINC000180055920 455124570 /nfs/dbraw/zinc/12/45/70/455124570.db2.gz TWULQHGGURDSNL-OAHLLOKOSA-N 2 2 344.459 3.023 20 0 EGADLP CN(C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1)C(=O)OC(C)(C)C ZINC000180055920 455124574 /nfs/dbraw/zinc/12/45/74/455124574.db2.gz TWULQHGGURDSNL-OAHLLOKOSA-N 2 2 344.459 3.023 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000172133196 455126545 /nfs/dbraw/zinc/12/65/45/455126545.db2.gz DMDXWVIZTDVIJL-UHFFFAOYSA-N 2 2 336.439 3.353 20 0 EGADLP C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H]1CCC[NH+](C)C1 ZINC000152493294 455126948 /nfs/dbraw/zinc/12/69/48/455126948.db2.gz RULXFHLHXGHUHZ-LBPRGKRZSA-N 2 2 341.286 3.415 20 0 EGADLP C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H]1CCC[NH+](C)C1 ZINC000152493294 455126953 /nfs/dbraw/zinc/12/69/53/455126953.db2.gz RULXFHLHXGHUHZ-LBPRGKRZSA-N 2 2 341.286 3.415 20 0 EGADLP C[NH+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H]1CCC[N@H+](C)C1 ZINC000152493294 455126956 /nfs/dbraw/zinc/12/69/56/455126956.db2.gz RULXFHLHXGHUHZ-LBPRGKRZSA-N 2 2 341.286 3.415 20 0 EGADLP C[NH+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152493294 455126958 /nfs/dbraw/zinc/12/69/58/455126958.db2.gz RULXFHLHXGHUHZ-LBPRGKRZSA-N 2 2 341.286 3.415 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(F)c1Br)C[NH+]1CCCC1 ZINC000156752376 455148104 /nfs/dbraw/zinc/14/81/04/455148104.db2.gz ULCQNFADBYIWOR-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000156952620 455158586 /nfs/dbraw/zinc/15/85/86/455158586.db2.gz HXCXXJZYZPWEGE-YLJYHZDGSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC000156952620 455158587 /nfs/dbraw/zinc/15/85/87/455158587.db2.gz HXCXXJZYZPWEGE-YLJYHZDGSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156952620 455158589 /nfs/dbraw/zinc/15/85/89/455158589.db2.gz HXCXXJZYZPWEGE-YLJYHZDGSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156952620 455158590 /nfs/dbraw/zinc/15/85/90/455158590.db2.gz HXCXXJZYZPWEGE-YLJYHZDGSA-N 2 2 349.482 3.214 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157003958 455160657 /nfs/dbraw/zinc/16/06/57/455160657.db2.gz AVOOUMFOWFAPPL-WSTZPKSXSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157003958 455160658 /nfs/dbraw/zinc/16/06/58/455160658.db2.gz AVOOUMFOWFAPPL-WSTZPKSXSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157003958 455160660 /nfs/dbraw/zinc/16/06/60/455160660.db2.gz AVOOUMFOWFAPPL-WSTZPKSXSA-N 2 2 345.531 3.132 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157003958 455160662 /nfs/dbraw/zinc/16/06/62/455160662.db2.gz AVOOUMFOWFAPPL-WSTZPKSXSA-N 2 2 345.531 3.132 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180402697 455164262 /nfs/dbraw/zinc/16/42/62/455164262.db2.gz YDNZNVQWDPQRPM-NRFANRHFSA-N 2 2 339.483 3.262 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347371 455281202 /nfs/dbraw/zinc/28/12/02/455281202.db2.gz MPYCEWBULTUGEG-QRWLVFNGSA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)nc1 ZINC000183347371 455281206 /nfs/dbraw/zinc/28/12/06/455281206.db2.gz MPYCEWBULTUGEG-QRWLVFNGSA-N 2 2 325.431 3.384 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245433930 455297690 /nfs/dbraw/zinc/29/76/90/455297690.db2.gz CADRQPMDGBSVMW-UYAOXDASSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245433930 455297693 /nfs/dbraw/zinc/29/76/93/455297693.db2.gz CADRQPMDGBSVMW-UYAOXDASSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245433930 455297696 /nfs/dbraw/zinc/29/76/96/455297696.db2.gz CADRQPMDGBSVMW-UYAOXDASSA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245433930 455297698 /nfs/dbraw/zinc/29/76/98/455297698.db2.gz CADRQPMDGBSVMW-UYAOXDASSA-N 2 2 345.531 3.135 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441724 455300379 /nfs/dbraw/zinc/30/03/79/455300379.db2.gz VQVPYHBRFDSIOS-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441724 455300381 /nfs/dbraw/zinc/30/03/81/455300381.db2.gz VQVPYHBRFDSIOS-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441724 455300385 /nfs/dbraw/zinc/30/03/85/455300385.db2.gz VQVPYHBRFDSIOS-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000245441724 455300386 /nfs/dbraw/zinc/30/03/86/455300386.db2.gz VQVPYHBRFDSIOS-SJORKVTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445108 455303109 /nfs/dbraw/zinc/30/31/09/455303109.db2.gz YPECLSXJMDZULE-QYZOEREBSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445108 455303110 /nfs/dbraw/zinc/30/31/10/455303110.db2.gz YPECLSXJMDZULE-QYZOEREBSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445108 455303111 /nfs/dbraw/zinc/30/31/11/455303111.db2.gz YPECLSXJMDZULE-QYZOEREBSA-N 2 2 345.531 3.224 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000245445108 455303113 /nfs/dbraw/zinc/30/31/13/455303113.db2.gz YPECLSXJMDZULE-QYZOEREBSA-N 2 2 345.531 3.224 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000190470761 455325506 /nfs/dbraw/zinc/32/55/06/455325506.db2.gz GEHNKHXVMGXQMK-CQSZACIVSA-N 2 2 349.475 3.250 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(O)cc(F)c2)C1 ZINC000190470761 455325510 /nfs/dbraw/zinc/32/55/10/455325510.db2.gz GEHNKHXVMGXQMK-CQSZACIVSA-N 2 2 349.475 3.250 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000190470761 455325515 /nfs/dbraw/zinc/32/55/15/455325515.db2.gz GEHNKHXVMGXQMK-CQSZACIVSA-N 2 2 349.475 3.250 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000190470761 455325516 /nfs/dbraw/zinc/32/55/16/455325516.db2.gz GEHNKHXVMGXQMK-CQSZACIVSA-N 2 2 349.475 3.250 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902414 455339283 /nfs/dbraw/zinc/33/92/83/455339283.db2.gz ACDDTZQAVNWTIT-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902414 455339290 /nfs/dbraw/zinc/33/92/90/455339290.db2.gz ACDDTZQAVNWTIT-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902414 455339295 /nfs/dbraw/zinc/33/92/95/455339295.db2.gz ACDDTZQAVNWTIT-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902414 455339299 /nfs/dbraw/zinc/33/92/99/455339299.db2.gz ACDDTZQAVNWTIT-QGZVFWFLSA-N 2 2 338.499 3.135 20 0 EGADLP CN(C(=O)[C@@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245700469 455358537 /nfs/dbraw/zinc/35/85/37/455358537.db2.gz LFKHYEBFKCJOBC-MISYRCLQSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)[C@@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245700469 455358543 /nfs/dbraw/zinc/35/85/43/455358543.db2.gz LFKHYEBFKCJOBC-MISYRCLQSA-N 2 2 347.547 3.138 20 0 EGADLP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000245704211 455360439 /nfs/dbraw/zinc/36/04/39/455360439.db2.gz YAVSDWNZJUPASS-KBPBESRZSA-N 2 2 334.489 3.039 20 0 EGADLP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000245704211 455360443 /nfs/dbraw/zinc/36/04/43/455360443.db2.gz YAVSDWNZJUPASS-KBPBESRZSA-N 2 2 334.489 3.039 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245800446 455380656 /nfs/dbraw/zinc/38/06/56/455380656.db2.gz XTHLMTYVWKVOBM-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000245800446 455380660 /nfs/dbraw/zinc/38/06/60/455380660.db2.gz XTHLMTYVWKVOBM-HOTGVXAUSA-N 2 2 332.488 3.182 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+]([C@@H]4C=CCCC4)C3)CC2)nc1 ZINC000246098901 455426959 /nfs/dbraw/zinc/42/69/59/455426959.db2.gz JGUXOSXIHMDVHY-WOJBJXKFSA-N 2 2 340.515 3.024 20 0 EGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+]([C@@H]4C=CCCC4)C3)CC2)nc1 ZINC000246098901 455426961 /nfs/dbraw/zinc/42/69/61/455426961.db2.gz JGUXOSXIHMDVHY-WOJBJXKFSA-N 2 2 340.515 3.024 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120410 455430532 /nfs/dbraw/zinc/43/05/32/455430532.db2.gz CXRIEDNYRCLSLK-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120410 455430536 /nfs/dbraw/zinc/43/05/36/455430536.db2.gz CXRIEDNYRCLSLK-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120410 455430541 /nfs/dbraw/zinc/43/05/41/455430541.db2.gz CXRIEDNYRCLSLK-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000246120410 455430545 /nfs/dbraw/zinc/43/05/45/455430545.db2.gz CXRIEDNYRCLSLK-QAPCUYQASA-N 2 2 349.906 3.109 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241410 455455734 /nfs/dbraw/zinc/45/57/34/455455734.db2.gz USVCRFKOGNUHFV-CVEARBPZSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241410 455455739 /nfs/dbraw/zinc/45/57/39/455455739.db2.gz USVCRFKOGNUHFV-CVEARBPZSA-N 2 2 349.906 3.393 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833380 455524269 /nfs/dbraw/zinc/52/42/69/455524269.db2.gz TXRGOSTXUUQPBN-OALUTQOASA-N 2 2 346.515 3.213 20 0 EGADLP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C(C)(C)O1 ZINC000191833380 455524274 /nfs/dbraw/zinc/52/42/74/455524274.db2.gz TXRGOSTXUUQPBN-OALUTQOASA-N 2 2 346.515 3.213 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246920797 455535575 /nfs/dbraw/zinc/53/55/75/455535575.db2.gz MUDNUOCBVXTYDF-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246920797 455535579 /nfs/dbraw/zinc/53/55/79/455535579.db2.gz MUDNUOCBVXTYDF-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000246920797 455535582 /nfs/dbraw/zinc/53/55/82/455535582.db2.gz MUDNUOCBVXTYDF-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000246920797 455535586 /nfs/dbraw/zinc/53/55/86/455535586.db2.gz MUDNUOCBVXTYDF-LNLFQRSKSA-N 2 2 345.531 3.088 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000247178958 455569151 /nfs/dbraw/zinc/56/91/51/455569151.db2.gz BGHAOEYTCSVABR-HZPDHXFCSA-N 2 2 328.460 3.461 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000247178958 455569153 /nfs/dbraw/zinc/56/91/53/455569153.db2.gz BGHAOEYTCSVABR-HZPDHXFCSA-N 2 2 328.460 3.461 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000247203283 455572622 /nfs/dbraw/zinc/57/26/22/455572622.db2.gz PBMFAHXOFIDOCU-IAGOWNOFSA-N 2 2 340.471 3.418 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000247203283 455572625 /nfs/dbraw/zinc/57/26/25/455572625.db2.gz PBMFAHXOFIDOCU-IAGOWNOFSA-N 2 2 340.471 3.418 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000271454196 455642138 /nfs/dbraw/zinc/64/21/38/455642138.db2.gz OQNXFFLPAUCYFA-QGZVFWFLSA-N 2 2 325.456 3.073 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247885166 455652033 /nfs/dbraw/zinc/65/20/33/455652033.db2.gz CUNBTAFJABJBHQ-SJLPKXTDSA-N 2 2 327.472 3.242 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247885166 455652038 /nfs/dbraw/zinc/65/20/38/455652038.db2.gz CUNBTAFJABJBHQ-SJLPKXTDSA-N 2 2 327.472 3.242 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000247974950 455662903 /nfs/dbraw/zinc/66/29/03/455662903.db2.gz KQBJKLIESPVPBL-FRRDWIJNSA-N 2 2 330.394 3.254 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000247974950 455662906 /nfs/dbraw/zinc/66/29/06/455662906.db2.gz KQBJKLIESPVPBL-FRRDWIJNSA-N 2 2 330.394 3.254 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)c(F)c(F)c1 ZINC000247974953 455662937 /nfs/dbraw/zinc/66/29/37/455662937.db2.gz KQBJKLIESPVPBL-JHJVBQTASA-N 2 2 330.394 3.254 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000247971821 455663555 /nfs/dbraw/zinc/66/35/55/455663555.db2.gz HKUIMIKBIJFODI-GHTZIAJQSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCNc1ccccc1 ZINC000247971821 455663560 /nfs/dbraw/zinc/66/35/60/455663560.db2.gz HKUIMIKBIJFODI-GHTZIAJQSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000192745392 455683786 /nfs/dbraw/zinc/68/37/86/455683786.db2.gz RDFYUEFPZKBPMX-INIZCTEOSA-N 2 2 340.471 3.366 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000192745392 455683790 /nfs/dbraw/zinc/68/37/90/455683790.db2.gz RDFYUEFPZKBPMX-INIZCTEOSA-N 2 2 340.471 3.366 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000268723249 455710821 /nfs/dbraw/zinc/71/08/21/455710821.db2.gz ISXZGZMWDRAFBR-HNNXBMFYSA-N 2 2 329.448 3.154 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)C[C@H](C)O1 ZINC000248440009 455715088 /nfs/dbraw/zinc/71/50/88/455715088.db2.gz JBCSCYITSKPUQM-DAYGRLMNSA-N 2 2 336.451 3.128 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)C[C@H](C)O1 ZINC000248440009 455715095 /nfs/dbraw/zinc/71/50/95/455715095.db2.gz JBCSCYITSKPUQM-DAYGRLMNSA-N 2 2 336.451 3.128 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000271676413 455719207 /nfs/dbraw/zinc/71/92/07/455719207.db2.gz IWBXCIFAKOYDAP-PBHICJAKSA-N 2 2 342.314 3.280 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000271676413 455719213 /nfs/dbraw/zinc/71/92/13/455719213.db2.gz IWBXCIFAKOYDAP-PBHICJAKSA-N 2 2 342.314 3.280 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccnc(Br)c2)CC1 ZINC000292661556 455724968 /nfs/dbraw/zinc/72/49/68/455724968.db2.gz ALYOMOKSEWMGEI-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnc(Br)c2)CC1 ZINC000292661556 455724973 /nfs/dbraw/zinc/72/49/73/455724973.db2.gz ALYOMOKSEWMGEI-UHFFFAOYSA-N 2 2 326.282 3.150 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268942352 455737857 /nfs/dbraw/zinc/73/78/57/455737857.db2.gz SXOHEXJOWFTDIQ-WLENULPWSA-N 2 2 336.545 3.176 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268942352 455737863 /nfs/dbraw/zinc/73/78/63/455737863.db2.gz SXOHEXJOWFTDIQ-WLENULPWSA-N 2 2 336.545 3.176 20 0 EGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292779734 455755075 /nfs/dbraw/zinc/75/50/75/455755075.db2.gz TZMVWJOVBYLCJG-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292779734 455755078 /nfs/dbraw/zinc/75/50/78/455755078.db2.gz TZMVWJOVBYLCJG-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778888 455755411 /nfs/dbraw/zinc/75/54/11/455755411.db2.gz YYIVBUPLQACKAE-ZBFHGGJFSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1cc([C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778888 455755415 /nfs/dbraw/zinc/75/54/15/455755415.db2.gz YYIVBUPLQACKAE-ZBFHGGJFSA-N 2 2 334.460 3.386 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799106 455760954 /nfs/dbraw/zinc/76/09/54/455760954.db2.gz BHQFPMNAHBOSOT-DOTOQJQBSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000292799106 455760959 /nfs/dbraw/zinc/76/09/59/455760959.db2.gz BHQFPMNAHBOSOT-DOTOQJQBSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1Cl ZINC000284949813 455766750 /nfs/dbraw/zinc/76/67/50/455766750.db2.gz BSNVLHOIGLODCP-WZYMTQMTSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1Cl ZINC000284949813 455766756 /nfs/dbraw/zinc/76/67/56/455766756.db2.gz BSNVLHOIGLODCP-WZYMTQMTSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000269068384 455781523 /nfs/dbraw/zinc/78/15/23/455781523.db2.gz WGRAFYAZGPVUJA-SNRMKQJTSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000269068384 455781528 /nfs/dbraw/zinc/78/15/28/455781528.db2.gz WGRAFYAZGPVUJA-SNRMKQJTSA-N 2 2 330.497 3.282 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000271855507 455787804 /nfs/dbraw/zinc/78/78/04/455787804.db2.gz XKJUMBAWDGOUEF-FQEVSTJZSA-N 2 2 332.488 3.391 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc(Br)ccc2OC)CC[C@H]1[NH3+] ZINC000251552555 455792480 /nfs/dbraw/zinc/79/24/80/455792480.db2.gz BEKWADLFXFSDRI-SMDDNHRTSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2OC)CC[C@H]1[NH3+] ZINC000251552555 455792486 /nfs/dbraw/zinc/79/24/86/455792486.db2.gz BEKWADLFXFSDRI-SMDDNHRTSA-N 2 2 327.266 3.017 20 0 EGADLP CO[C@@]1(C)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285174343 455800331 /nfs/dbraw/zinc/80/03/31/455800331.db2.gz CUHCDDWTMRGFSQ-NRFANRHFSA-N 2 2 345.531 3.090 20 0 EGADLP CO[C@@]1(C)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285174343 455800332 /nfs/dbraw/zinc/80/03/32/455800332.db2.gz CUHCDDWTMRGFSQ-NRFANRHFSA-N 2 2 345.531 3.090 20 0 EGADLP CC(C)C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271953900 455803989 /nfs/dbraw/zinc/80/39/89/455803989.db2.gz CHMPDFKQVMCLHK-ICSRJNTNSA-N 2 2 331.504 3.229 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(Cl)cc1F ZINC000269196356 455809058 /nfs/dbraw/zinc/80/90/58/455809058.db2.gz UWHTZJZGFADONO-UHFFFAOYSA-N 2 2 338.814 3.026 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(Cl)cc1F ZINC000269196356 455809059 /nfs/dbraw/zinc/80/90/59/455809059.db2.gz UWHTZJZGFADONO-UHFFFAOYSA-N 2 2 338.814 3.026 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)c1 ZINC000278327908 455818969 /nfs/dbraw/zinc/81/89/69/455818969.db2.gz VUBGAJGNNOMWQP-ZDUSSCGKSA-N 2 2 341.411 3.465 20 0 EGADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@H]2C1 ZINC000272260983 455896144 /nfs/dbraw/zinc/89/61/44/455896144.db2.gz AOWWKDAPQHQCPM-BEFAXECRSA-N 2 2 337.423 3.040 20 0 EGADLP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@H]2C1 ZINC000272260983 455896149 /nfs/dbraw/zinc/89/61/49/455896149.db2.gz AOWWKDAPQHQCPM-BEFAXECRSA-N 2 2 337.423 3.040 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000194963845 455906362 /nfs/dbraw/zinc/90/63/62/455906362.db2.gz BRTLZMKRPZUFQR-LJQANCHMSA-N 2 2 346.438 3.232 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744845 455907875 /nfs/dbraw/zinc/90/78/75/455907875.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744845 455907882 /nfs/dbraw/zinc/90/78/82/455907882.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744845 455907886 /nfs/dbraw/zinc/90/78/86/455907886.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285744845 455907890 /nfs/dbraw/zinc/90/78/90/455907890.db2.gz YJDHPMPJUXZBRN-RTWAWAEBSA-N 3 2 327.516 3.069 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000280173139 455908095 /nfs/dbraw/zinc/90/80/95/455908095.db2.gz GFSNBVOVLWTNMH-UHFFFAOYSA-N 2 2 346.438 3.225 20 0 EGADLP Cc1nc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cs1 ZINC000272326795 455914151 /nfs/dbraw/zinc/91/41/51/455914151.db2.gz XCHOIKMOBBXMIQ-SWLSCSKDSA-N 2 2 331.489 3.160 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626926 455915943 /nfs/dbraw/zinc/91/59/43/455915943.db2.gz CPEVYYLJYHHHDU-PXNSSMCTSA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(F)cc1 ZINC000261626926 455915947 /nfs/dbraw/zinc/91/59/47/455915947.db2.gz CPEVYYLJYHHHDU-PXNSSMCTSA-N 2 2 349.494 3.090 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261671735 455925582 /nfs/dbraw/zinc/92/55/82/455925582.db2.gz JCDCTNQKOAZZFY-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261671735 455925587 /nfs/dbraw/zinc/92/55/87/455925587.db2.gz JCDCTNQKOAZZFY-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687799 455928790 /nfs/dbraw/zinc/92/87/90/455928790.db2.gz KLUCPXADWBRYOH-RTWAWAEBSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687799 455928794 /nfs/dbraw/zinc/92/87/94/455928794.db2.gz KLUCPXADWBRYOH-RTWAWAEBSA-N 2 2 345.531 3.294 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261700444 455930861 /nfs/dbraw/zinc/93/08/61/455930861.db2.gz LMCJAUOQVPCZJK-FCHUYYIVSA-N 2 2 346.478 3.416 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261700444 455930867 /nfs/dbraw/zinc/93/08/67/455930867.db2.gz LMCJAUOQVPCZJK-FCHUYYIVSA-N 2 2 346.478 3.416 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270345664 455934538 /nfs/dbraw/zinc/93/45/38/455934538.db2.gz AHPBJOLHIDIOQY-UHFFFAOYSA-N 2 2 336.439 3.353 20 0 EGADLP CCOC(=O)CCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280288824 455936849 /nfs/dbraw/zinc/93/68/49/455936849.db2.gz UGPSSSAVMOFBLV-UHFFFAOYSA-N 2 2 329.444 3.325 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000280295456 455938819 /nfs/dbraw/zinc/93/88/19/455938819.db2.gz VAWHFTLVTBSXDD-HNNXBMFYSA-N 2 2 342.487 3.237 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000285905953 455938915 /nfs/dbraw/zinc/93/89/15/455938915.db2.gz KONHGKFDXCAXBJ-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000285905953 455938921 /nfs/dbraw/zinc/93/89/21/455938921.db2.gz KONHGKFDXCAXBJ-LJQANCHMSA-N 2 2 326.488 3.119 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000280295458 455939032 /nfs/dbraw/zinc/93/90/32/455939032.db2.gz VAWHFTLVTBSXDD-OAHLLOKOSA-N 2 2 342.487 3.237 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cncc(Br)c2)C[C@H]1c1ccccc1 ZINC000261764262 455944074 /nfs/dbraw/zinc/94/40/74/455944074.db2.gz OGTVKNVHIPTWPO-WBVHZDCISA-N 2 2 346.272 3.018 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@H]1c1ccccc1 ZINC000261764262 455944078 /nfs/dbraw/zinc/94/40/78/455944078.db2.gz OGTVKNVHIPTWPO-WBVHZDCISA-N 2 2 346.272 3.018 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000261871084 455962587 /nfs/dbraw/zinc/96/25/87/455962587.db2.gz SHJBMIFMTCGDSO-CHWSQXEVSA-N 2 2 345.830 3.337 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187957366 455971428 /nfs/dbraw/zinc/97/14/28/455971428.db2.gz XNVGICRVMWTBTF-SUMWQHHRSA-N 2 2 327.407 3.069 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@H](O)c1cccc(F)c1 ZINC000272504695 455974687 /nfs/dbraw/zinc/97/46/87/455974687.db2.gz FDCGROBPYMOALE-MLGOLLRUSA-N 2 2 348.384 3.254 20 0 EGADLP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000261974644 455979981 /nfs/dbraw/zinc/97/99/81/455979981.db2.gz FKCJSMRBXXPGGV-GFCCVEGCSA-N 2 2 341.858 3.128 20 0 EGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000272541812 455987600 /nfs/dbraw/zinc/98/76/00/455987600.db2.gz KPBHTYVXDADZNS-ZDUSSCGKSA-N 2 2 330.394 3.330 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000262090749 455995363 /nfs/dbraw/zinc/99/53/63/455995363.db2.gz UURVYPJRISHPLD-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000262090749 455995368 /nfs/dbraw/zinc/99/53/68/455995368.db2.gz UURVYPJRISHPLD-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286334380 456026460 /nfs/dbraw/zinc/02/64/60/456026460.db2.gz YAVIIMPUFRTNRD-QWQRMKEZSA-N 2 2 332.488 3.016 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1OC ZINC000286334380 456026461 /nfs/dbraw/zinc/02/64/61/456026461.db2.gz YAVIIMPUFRTNRD-QWQRMKEZSA-N 2 2 332.488 3.016 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675310 456036124 /nfs/dbraw/zinc/03/61/24/456036124.db2.gz UNYXICXIVFXBJZ-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675310 456036130 /nfs/dbraw/zinc/03/61/30/456036130.db2.gz UNYXICXIVFXBJZ-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675310 456036134 /nfs/dbraw/zinc/03/61/34/456036134.db2.gz UNYXICXIVFXBJZ-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)[C@@H]2C1 ZINC000272675310 456036141 /nfs/dbraw/zinc/03/61/41/456036141.db2.gz UNYXICXIVFXBJZ-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC(F)F ZINC000272680395 456038010 /nfs/dbraw/zinc/03/80/10/456038010.db2.gz VHOFAARJIDVLBM-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)ccc1OC(F)F ZINC000272680395 456038015 /nfs/dbraw/zinc/03/80/15/456038015.db2.gz VHOFAARJIDVLBM-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1OC(F)F ZINC000272680395 456038021 /nfs/dbraw/zinc/03/80/21/456038021.db2.gz VHOFAARJIDVLBM-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OC(F)F ZINC000272680395 456038025 /nfs/dbraw/zinc/03/80/25/456038025.db2.gz VHOFAARJIDVLBM-LSDHHAIUSA-N 2 2 340.414 3.213 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2)CC1 ZINC000188649280 456103834 /nfs/dbraw/zinc/10/38/34/456103834.db2.gz CCKXYWGZLNLNQA-UHFFFAOYSA-N 2 2 340.471 3.223 20 0 EGADLP Cc1cccc([C@H](CNc2nc(C)[nH+]c(C)c2C)[NH+]2CCOCC2)c1 ZINC000301438319 456114231 /nfs/dbraw/zinc/11/42/31/456114231.db2.gz LAWHTDCTTZIOEU-IBGZPJMESA-N 2 2 340.471 3.196 20 0 EGADLP COc1ccc(C[N@@H+]2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000301459480 456122127 /nfs/dbraw/zinc/12/21/27/456122127.db2.gz YLHHFYRIFDLOER-UHFFFAOYSA-N 2 2 340.471 3.123 20 0 EGADLP COc1ccc(C[N@H+]2CCCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000301459480 456122133 /nfs/dbraw/zinc/12/21/33/456122133.db2.gz YLHHFYRIFDLOER-UHFFFAOYSA-N 2 2 340.471 3.123 20 0 EGADLP Fc1cncc([C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C2CC2)c1 ZINC000281149080 456146179 /nfs/dbraw/zinc/14/61/79/456146179.db2.gz GMVRLBNTUWTATD-FQEVSTJZSA-N 2 2 340.446 3.321 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000333024823 456148709 /nfs/dbraw/zinc/14/87/09/456148709.db2.gz KJJUSXHNOYNECG-ZDUSSCGKSA-N 2 2 329.448 3.105 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cscn3)CC2)c1 ZINC000271191171 456162776 /nfs/dbraw/zinc/16/27/76/456162776.db2.gz XRCJXYWKIPZQRD-KRWDZBQOSA-N 2 2 344.528 3.314 20 0 EGADLP CSc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000271206569 456173634 /nfs/dbraw/zinc/17/36/34/456173634.db2.gz SBBNAMJYQLPIPU-HNNXBMFYSA-N 2 2 348.512 3.097 20 0 EGADLP CSc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000271206569 456173640 /nfs/dbraw/zinc/17/36/40/456173640.db2.gz SBBNAMJYQLPIPU-HNNXBMFYSA-N 2 2 348.512 3.097 20 0 EGADLP COc1cccc2c(NCC(C)(C)[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000301692166 456188254 /nfs/dbraw/zinc/18/82/54/456188254.db2.gz WXVNPSAPLALADI-UHFFFAOYSA-N 2 2 329.444 3.075 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306745 456196362 /nfs/dbraw/zinc/19/63/62/456196362.db2.gz NEWZLPZHRDQOIF-JKSUJKDBSA-N 2 2 332.492 3.159 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000333306745 456196368 /nfs/dbraw/zinc/19/63/68/456196368.db2.gz NEWZLPZHRDQOIF-JKSUJKDBSA-N 2 2 332.492 3.159 20 0 EGADLP Cc1cc2ccccc2[nH+]c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000301742872 456204068 /nfs/dbraw/zinc/20/40/68/456204068.db2.gz YZKHFDVWQFJUER-UHFFFAOYSA-N 2 2 327.472 3.480 20 0 EGADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000333349560 456205004 /nfs/dbraw/zinc/20/50/04/456205004.db2.gz VPHYKGWXLQUIPJ-SJORKVTESA-N 2 2 347.507 3.157 20 0 EGADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000333349560 456205008 /nfs/dbraw/zinc/20/50/08/456205008.db2.gz VPHYKGWXLQUIPJ-SJORKVTESA-N 2 2 347.507 3.157 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903224 456247596 /nfs/dbraw/zinc/24/75/96/456247596.db2.gz XCIWUPYFBSDUHJ-CQSZACIVSA-N 2 2 330.480 3.114 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](CNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301903224 456247601 /nfs/dbraw/zinc/24/76/01/456247601.db2.gz XCIWUPYFBSDUHJ-CQSZACIVSA-N 2 2 330.480 3.114 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620651641 460721533 /nfs/dbraw/zinc/72/15/33/460721533.db2.gz RQWYZGJTTHTBMQ-KRWDZBQOSA-N 2 2 334.423 3.103 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH+]1 ZINC000620651641 460721539 /nfs/dbraw/zinc/72/15/39/460721539.db2.gz RQWYZGJTTHTBMQ-KRWDZBQOSA-N 2 2 334.423 3.103 20 0 EGADLP Cc1cccc(NC[C@@H]2CCN(c3nc(C)[nH+]c4c3CCCC4)C2)[nH+]1 ZINC000302027838 456271391 /nfs/dbraw/zinc/27/13/91/456271391.db2.gz AOADOJMYGBLTQL-INIZCTEOSA-N 2 2 337.471 3.306 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044431 456275120 /nfs/dbraw/zinc/27/51/20/456275120.db2.gz MMYYHLOOQFHFLG-FUHWJXTLSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044431 456275124 /nfs/dbraw/zinc/27/51/24/456275124.db2.gz MMYYHLOOQFHFLG-FUHWJXTLSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044431 456275127 /nfs/dbraw/zinc/27/51/27/456275127.db2.gz MMYYHLOOQFHFLG-FUHWJXTLSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044431 456275131 /nfs/dbraw/zinc/27/51/31/456275131.db2.gz MMYYHLOOQFHFLG-FUHWJXTLSA-N 2 2 343.519 3.389 20 0 EGADLP CC(C)c1nc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc[nH+]1 ZINC000302053302 456276156 /nfs/dbraw/zinc/27/61/56/456276156.db2.gz PGFNILFSQNLKHI-GOSISDBHSA-N 2 2 340.471 3.169 20 0 EGADLP CC(C)c1nc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc[nH+]1 ZINC000302053302 456276160 /nfs/dbraw/zinc/27/61/60/456276160.db2.gz PGFNILFSQNLKHI-GOSISDBHSA-N 2 2 340.471 3.169 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000352760687 456281390 /nfs/dbraw/zinc/28/13/90/456281390.db2.gz RGGAVLNDLWUQCY-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000352760687 456281397 /nfs/dbraw/zinc/28/13/97/456281397.db2.gz RGGAVLNDLWUQCY-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)s1 ZINC000352764399 456287393 /nfs/dbraw/zinc/28/73/93/456287393.db2.gz DTKAXNDQADUDHE-CQSZACIVSA-N 2 2 337.876 3.472 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352767757 456288633 /nfs/dbraw/zinc/28/86/33/456288633.db2.gz CZFVKVLUDVUHAK-IYBDPMFKSA-N 3 2 338.565 3.052 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352767757 456288640 /nfs/dbraw/zinc/28/86/40/456288640.db2.gz CZFVKVLUDVUHAK-IYBDPMFKSA-N 3 2 338.565 3.052 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000352791526 456311450 /nfs/dbraw/zinc/31/14/50/456311450.db2.gz PDIPRRCAEXWTQW-UHFFFAOYSA-N 2 2 327.457 3.217 20 0 EGADLP Oc1cc(C[NH2+]CCCNc2cccc[nH+]2)cc(C(F)(F)F)c1 ZINC000352805006 456323158 /nfs/dbraw/zinc/32/31/58/456323158.db2.gz XQOAFLCFJAZJKH-UHFFFAOYSA-N 2 2 325.334 3.398 20 0 EGADLP Cc1cc(Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)nc(C)[nH+]1 ZINC000302508803 456352490 /nfs/dbraw/zinc/35/24/90/456352490.db2.gz FLOQIHRHEJKORR-UHFFFAOYSA-N 2 2 325.460 3.367 20 0 EGADLP C[N@H+](Cc1cc[nH+]c(N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000298073504 456358243 /nfs/dbraw/zinc/35/82/43/456358243.db2.gz JRRNYHUSLBIRAN-GDBMZVCRSA-N 2 2 338.238 3.061 20 0 EGADLP C[N@@H+](Cc1cc[nH+]c(N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000298073504 456358250 /nfs/dbraw/zinc/35/82/50/456358250.db2.gz JRRNYHUSLBIRAN-GDBMZVCRSA-N 2 2 338.238 3.061 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290553648 456362501 /nfs/dbraw/zinc/36/25/01/456362501.db2.gz RXYNRHHTZKHESL-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000290553648 456362507 /nfs/dbraw/zinc/36/25/07/456362507.db2.gz RXYNRHHTZKHESL-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290553648 456362509 /nfs/dbraw/zinc/36/25/09/456362509.db2.gz RXYNRHHTZKHESL-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290553648 456362516 /nfs/dbraw/zinc/36/25/16/456362516.db2.gz RXYNRHHTZKHESL-MLGOLLRUSA-N 2 2 341.293 3.230 20 0 EGADLP CCN1CC[NH+](C[C@H](C)CNc2cc(C)[nH+]c3c(F)cccc23)CC1 ZINC000302636095 456366521 /nfs/dbraw/zinc/36/65/21/456366521.db2.gz HIXMMVBJXRUWRW-OAHLLOKOSA-N 2 2 344.478 3.368 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(F)cn1 ZINC000276174150 456404775 /nfs/dbraw/zinc/40/47/75/456404775.db2.gz FVXAQCSRKJEELB-HOTGVXAUSA-N 2 2 327.447 3.467 20 0 EGADLP CCOC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)Cc2ccccc21 ZINC000347851503 456405226 /nfs/dbraw/zinc/40/52/26/456405226.db2.gz VXMONTPNDWRITB-HXUWFJFHSA-N 2 2 338.451 3.485 20 0 EGADLP CCOC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)Cc2ccccc21 ZINC000347851503 456405234 /nfs/dbraw/zinc/40/52/34/456405234.db2.gz VXMONTPNDWRITB-HXUWFJFHSA-N 2 2 338.451 3.485 20 0 EGADLP Cc1ccc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)c(C)[nH+]1 ZINC000276206363 456413818 /nfs/dbraw/zinc/41/38/18/456413818.db2.gz ZLXKGBJHJGJADD-UHFFFAOYSA-N 2 2 326.444 3.124 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)s1 ZINC000347864764 456414276 /nfs/dbraw/zinc/41/42/76/456414276.db2.gz LSHHLRAXTXOHBX-UHFFFAOYSA-N 2 2 331.485 3.323 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](Cc2cccc(O)c2)CC2CC2)s1 ZINC000347864764 456414284 /nfs/dbraw/zinc/41/42/84/456414284.db2.gz LSHHLRAXTXOHBX-UHFFFAOYSA-N 2 2 331.485 3.323 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479813 456484521 /nfs/dbraw/zinc/48/45/21/456484521.db2.gz NGDOKOUFRXFLIU-CTNGQTDRSA-N 3 2 344.547 3.148 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000340479813 456484527 /nfs/dbraw/zinc/48/45/27/456484527.db2.gz NGDOKOUFRXFLIU-CTNGQTDRSA-N 3 2 344.547 3.148 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1C ZINC000282140640 456424841 /nfs/dbraw/zinc/42/48/41/456424841.db2.gz KPHWPOPGHXPURI-KRWDZBQOSA-N 2 2 326.488 3.086 20 0 EGADLP CCOC(CC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1)OCC ZINC000276261838 456427740 /nfs/dbraw/zinc/42/77/40/456427740.db2.gz WSIGDIAHWVVYDP-HKUYNNGSSA-N 2 2 334.504 3.276 20 0 EGADLP CCOC(CC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1)OCC ZINC000276261838 456427748 /nfs/dbraw/zinc/42/77/48/456427748.db2.gz WSIGDIAHWVVYDP-HKUYNNGSSA-N 2 2 334.504 3.276 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000348006309 456434963 /nfs/dbraw/zinc/43/49/63/456434963.db2.gz HDLHVRNGDFQGGH-UHFFFAOYSA-N 2 2 329.488 3.093 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000340406642 456441596 /nfs/dbraw/zinc/44/15/96/456441596.db2.gz HSTDBUAURBMQBZ-UHFFFAOYSA-N 2 2 327.472 3.481 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000340406642 456441603 /nfs/dbraw/zinc/44/16/03/456441603.db2.gz HSTDBUAURBMQBZ-UHFFFAOYSA-N 2 2 327.472 3.481 20 0 EGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077860 456459801 /nfs/dbraw/zinc/45/98/01/456459801.db2.gz PLBRXBOJNGWVBM-OAUYIBNBSA-N 2 2 343.298 3.368 20 0 EGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077860 456459806 /nfs/dbraw/zinc/45/98/06/456459806.db2.gz PLBRXBOJNGWVBM-OAUYIBNBSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077860 456459815 /nfs/dbraw/zinc/45/98/15/456459815.db2.gz PLBRXBOJNGWVBM-OAUYIBNBSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000348077860 456459820 /nfs/dbraw/zinc/45/98/20/456459820.db2.gz PLBRXBOJNGWVBM-OAUYIBNBSA-N 2 2 343.298 3.368 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccncc1F ZINC000340474597 456480904 /nfs/dbraw/zinc/48/09/04/456480904.db2.gz KMVYITZUFWPITQ-CVEARBPZSA-N 2 2 343.446 3.292 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1F ZINC000340474597 456480908 /nfs/dbraw/zinc/48/09/08/456480908.db2.gz KMVYITZUFWPITQ-CVEARBPZSA-N 2 2 343.446 3.292 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNc1nc(C)[nH+]c2c1CCCC2)c1ccco1 ZINC000343250339 456482617 /nfs/dbraw/zinc/48/26/17/456482617.db2.gz MEQOHLOLDWEYAL-CXAGYDPISA-N 2 2 328.460 3.220 20 0 EGADLP Fc1ccc(/C=C\CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1F ZINC000353124953 456507546 /nfs/dbraw/zinc/50/75/46/456507546.db2.gz ZTFMFQODPDVAJX-UPHRSURJSA-N 2 2 326.350 3.152 20 0 EGADLP COCCOCc1ccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000291062380 456515366 /nfs/dbraw/zinc/51/53/66/456515366.db2.gz PQPSBSQUVGJLNL-UHFFFAOYSA-N 2 2 339.439 3.096 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187926 456524156 /nfs/dbraw/zinc/52/41/56/456524156.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187926 456524161 /nfs/dbraw/zinc/52/41/61/456524161.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187926 456524164 /nfs/dbraw/zinc/52/41/64/456524164.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187926 456524169 /nfs/dbraw/zinc/52/41/69/456524169.db2.gz QJUKWVSUVJPKRZ-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP CC[C@@](C)(O)C[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000348212173 456540903 /nfs/dbraw/zinc/54/09/03/456540903.db2.gz HUJQOHJFCXGEQP-LJQANCHMSA-N 2 2 347.528 3.368 20 0 EGADLP CC[C@@](C)(O)C[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000348212173 456540905 /nfs/dbraw/zinc/54/09/05/456540905.db2.gz HUJQOHJFCXGEQP-LJQANCHMSA-N 2 2 347.528 3.368 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337781015 456541675 /nfs/dbraw/zinc/54/16/75/456541675.db2.gz BCGYHQZBNXCWGE-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337781015 456541681 /nfs/dbraw/zinc/54/16/81/456541681.db2.gz BCGYHQZBNXCWGE-LJQANCHMSA-N 2 2 339.483 3.481 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310731498 456583155 /nfs/dbraw/zinc/58/31/55/456583155.db2.gz CDZHDRBYRDKEPZ-WQUXRXDGSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310731498 456583159 /nfs/dbraw/zinc/58/31/59/456583159.db2.gz CDZHDRBYRDKEPZ-WQUXRXDGSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310731497 456583420 /nfs/dbraw/zinc/58/34/20/456583420.db2.gz CDZHDRBYRDKEPZ-SGZDXZSOSA-N 2 2 344.499 3.361 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000310731497 456583424 /nfs/dbraw/zinc/58/34/24/456583424.db2.gz CDZHDRBYRDKEPZ-SGZDXZSOSA-N 2 2 344.499 3.361 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310820350 456583867 /nfs/dbraw/zinc/58/38/67/456583867.db2.gz DISKXCQZJOTCPJ-QRQLOZEOSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310820350 456583873 /nfs/dbraw/zinc/58/38/73/456583873.db2.gz DISKXCQZJOTCPJ-QRQLOZEOSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310820350 456583880 /nfs/dbraw/zinc/58/38/80/456583880.db2.gz DISKXCQZJOTCPJ-QRQLOZEOSA-N 2 2 344.499 3.171 20 0 EGADLP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310820350 456583887 /nfs/dbraw/zinc/58/38/87/456583887.db2.gz DISKXCQZJOTCPJ-QRQLOZEOSA-N 2 2 344.499 3.171 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)n1C ZINC000315598964 456607453 /nfs/dbraw/zinc/60/74/53/456607453.db2.gz MYEASPOBNXLRPO-AWEZNQCLSA-N 2 2 336.892 3.466 20 0 EGADLP CCCN(CC[NH+](C)C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337945773 456615918 /nfs/dbraw/zinc/61/59/18/456615918.db2.gz LXFNFLOQSQTFOA-UHFFFAOYSA-N 2 2 327.428 3.288 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCS2 ZINC000317040027 456617322 /nfs/dbraw/zinc/61/73/22/456617322.db2.gz WCAYZGYMZZSGKQ-IJEWVQPXSA-N 2 2 338.904 3.330 20 0 EGADLP Clc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCS2 ZINC000317040027 456617327 /nfs/dbraw/zinc/61/73/27/456617327.db2.gz WCAYZGYMZZSGKQ-IJEWVQPXSA-N 2 2 338.904 3.330 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C1 ZINC000343438765 456622117 /nfs/dbraw/zinc/62/21/17/456622117.db2.gz FXVTXAKDTPDOPD-IPMKNSEASA-N 2 2 331.504 3.117 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000348330476 456627442 /nfs/dbraw/zinc/62/74/42/456627442.db2.gz NWNFSWYTUSQDFW-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1nc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000348330476 456627448 /nfs/dbraw/zinc/62/74/48/456627448.db2.gz NWNFSWYTUSQDFW-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000348330476 456627453 /nfs/dbraw/zinc/62/74/53/456627453.db2.gz NWNFSWYTUSQDFW-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)s1 ZINC000348330476 456627459 /nfs/dbraw/zinc/62/74/59/456627459.db2.gz NWNFSWYTUSQDFW-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443093 456637641 /nfs/dbraw/zinc/63/76/41/456637641.db2.gz WFVAISWZBLUCBF-SJORKVTESA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443093 456637645 /nfs/dbraw/zinc/63/76/45/456637645.db2.gz WFVAISWZBLUCBF-SJORKVTESA-N 2 2 335.879 3.275 20 0 EGADLP C[C@@H](c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276986910 456641062 /nfs/dbraw/zinc/64/10/62/456641062.db2.gz WUMUYXWGHDLGFJ-MJBXVCDLSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@@H](c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276986910 456641066 /nfs/dbraw/zinc/64/10/66/456641066.db2.gz WUMUYXWGHDLGFJ-MJBXVCDLSA-N 2 2 338.415 3.251 20 0 EGADLP C[N@H+](Cc1sc2ccccc2c1Cl)C1CC[NH+](CCO)CC1 ZINC000353362552 456647414 /nfs/dbraw/zinc/64/74/14/456647414.db2.gz YZXNNANGYQSUCB-UHFFFAOYSA-N 2 2 338.904 3.443 20 0 EGADLP C[N@@H+](Cc1sc2ccccc2c1Cl)C1CC[NH+](CCO)CC1 ZINC000353362552 456647418 /nfs/dbraw/zinc/64/74/18/456647418.db2.gz YZXNNANGYQSUCB-UHFFFAOYSA-N 2 2 338.904 3.443 20 0 EGADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338171191 456682036 /nfs/dbraw/zinc/68/20/36/456682036.db2.gz BVXPQDKNURYIKB-OAHLLOKOSA-N 2 2 325.412 3.040 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccccc2Br)CC1 ZINC000277112109 456684360 /nfs/dbraw/zinc/68/43/60/456684360.db2.gz HFECFZGSDAULLS-CQSZACIVSA-N 2 2 341.293 3.244 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)CC1 ZINC000277112109 456684364 /nfs/dbraw/zinc/68/43/64/456684364.db2.gz HFECFZGSDAULLS-CQSZACIVSA-N 2 2 341.293 3.244 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000277145254 456697285 /nfs/dbraw/zinc/69/72/85/456697285.db2.gz JIFKJYMGAAWWMT-OAHLLOKOSA-N 2 2 334.851 3.306 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000277145254 456697289 /nfs/dbraw/zinc/69/72/89/456697289.db2.gz JIFKJYMGAAWWMT-OAHLLOKOSA-N 2 2 334.851 3.306 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277166777 456704776 /nfs/dbraw/zinc/70/47/76/456704776.db2.gz KNYSZYJIOAZSGE-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277166777 456704781 /nfs/dbraw/zinc/70/47/81/456704781.db2.gz KNYSZYJIOAZSGE-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)c2ccccc21 ZINC000283152813 456722457 /nfs/dbraw/zinc/72/24/57/456722457.db2.gz IAVPNUUBYVTIBN-OLMNPRSZSA-N 2 2 327.428 3.043 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000277237791 456737668 /nfs/dbraw/zinc/73/76/68/456737668.db2.gz PFZYVVKAUKQAFM-QGZVFWFLSA-N 2 2 332.879 3.442 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000277237791 456737676 /nfs/dbraw/zinc/73/76/76/456737676.db2.gz PFZYVVKAUKQAFM-QGZVFWFLSA-N 2 2 332.879 3.442 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1O ZINC000277245204 456742052 /nfs/dbraw/zinc/74/20/52/456742052.db2.gz OZAKSEXSPSWBSV-OAHLLOKOSA-N 2 2 329.444 3.209 20 0 EGADLP c1cn(CCCC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)c[nH+]1 ZINC000338290414 456749234 /nfs/dbraw/zinc/74/92/34/456749234.db2.gz SFRBZFVFCBJYEH-IBGZPJMESA-N 2 2 335.492 3.309 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553604 456755024 /nfs/dbraw/zinc/75/50/24/456755024.db2.gz SNZIFYYAHYOHDU-OALUTQOASA-N 2 2 344.499 3.363 20 0 EGADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000353553604 456755029 /nfs/dbraw/zinc/75/50/29/456755029.db2.gz SNZIFYYAHYOHDU-OALUTQOASA-N 2 2 344.499 3.363 20 0 EGADLP O=C(CCn1cc[nH+]c1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000299672892 456761307 /nfs/dbraw/zinc/76/13/07/456761307.db2.gz PSTSAKQTDHPAGQ-UHFFFAOYSA-N 2 2 335.411 3.112 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)c1 ZINC000338305124 456761707 /nfs/dbraw/zinc/76/17/07/456761707.db2.gz KPCBPCKBRABCQK-CQSZACIVSA-N 2 2 325.403 3.038 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)sc2c1 ZINC000349187599 456906210 /nfs/dbraw/zinc/90/62/10/456906210.db2.gz KNSLKFSMLIMJII-GFCCVEGCSA-N 2 2 328.441 3.028 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)sc2c1 ZINC000349187599 456906217 /nfs/dbraw/zinc/90/62/17/456906217.db2.gz KNSLKFSMLIMJII-GFCCVEGCSA-N 2 2 328.441 3.028 20 0 EGADLP CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349246308 456922768 /nfs/dbraw/zinc/92/27/68/456922768.db2.gz SLLOHCFXEOUVHJ-UHFFFAOYSA-N 2 2 329.444 3.426 20 0 EGADLP CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349246308 456922770 /nfs/dbraw/zinc/92/27/70/456922770.db2.gz SLLOHCFXEOUVHJ-UHFFFAOYSA-N 2 2 329.444 3.426 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccnn1-c1ccccc1OC ZINC000349406041 456962963 /nfs/dbraw/zinc/96/29/63/456962963.db2.gz JMRJCRVHWPESFE-UHFFFAOYSA-N 2 2 342.487 3.189 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccnn1-c1ccccc1OC ZINC000349406041 456962968 /nfs/dbraw/zinc/96/29/68/456962968.db2.gz JMRJCRVHWPESFE-UHFFFAOYSA-N 2 2 342.487 3.189 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000353928796 456969401 /nfs/dbraw/zinc/96/94/01/456969401.db2.gz LQVATQAHOZWCAR-UHFFFAOYSA-N 2 2 341.455 3.474 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+]C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000353929582 456969620 /nfs/dbraw/zinc/96/96/20/456969620.db2.gz NFZIYYDERGAIDB-GOSISDBHSA-N 2 2 348.487 3.011 20 0 EGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353957257 456979137 /nfs/dbraw/zinc/97/91/37/456979137.db2.gz ORGSIEAHSJFJQL-BGVWBIDGSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353957257 456979138 /nfs/dbraw/zinc/97/91/38/456979138.db2.gz ORGSIEAHSJFJQL-BGVWBIDGSA-N 2 2 349.563 3.265 20 0 EGADLP CC[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@H+](C)Cc1ccccc1 ZINC000353982904 456989462 /nfs/dbraw/zinc/98/94/62/456989462.db2.gz IWFFCURRJUUDOB-QZTJIDSGSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@@H+](C)Cc1ccccc1 ZINC000353982904 456989466 /nfs/dbraw/zinc/98/94/66/456989466.db2.gz IWFFCURRJUUDOB-QZTJIDSGSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354035360 457023686 /nfs/dbraw/zinc/02/36/86/457023686.db2.gz YAGSFDAFNJKTFL-QGZVFWFLSA-N 2 2 328.460 3.303 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354035360 457023689 /nfs/dbraw/zinc/02/36/89/457023689.db2.gz YAGSFDAFNJKTFL-QGZVFWFLSA-N 2 2 328.460 3.303 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129445 457082982 /nfs/dbraw/zinc/08/29/82/457082982.db2.gz CYGXQMNQAWUUGF-JTDSTZFVSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000354129445 457082988 /nfs/dbraw/zinc/08/29/88/457082988.db2.gz CYGXQMNQAWUUGF-JTDSTZFVSA-N 2 2 325.456 3.348 20 0 EGADLP C[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)[N@H+](C)Cc1ccccc1 ZINC000342074931 457093564 /nfs/dbraw/zinc/09/35/64/457093564.db2.gz WVBPKARPQFRFEZ-MRXNPFEDSA-N 2 2 348.450 3.213 20 0 EGADLP C[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)[N@@H+](C)Cc1ccccc1 ZINC000342074931 457093570 /nfs/dbraw/zinc/09/35/70/457093570.db2.gz WVBPKARPQFRFEZ-MRXNPFEDSA-N 2 2 348.450 3.213 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000354147400 457095124 /nfs/dbraw/zinc/09/51/24/457095124.db2.gz SYAUGXAUIRMHHD-CQSZACIVSA-N 2 2 345.443 3.055 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000346658767 457097542 /nfs/dbraw/zinc/09/75/42/457097542.db2.gz POFSWBCULACRRJ-JSGCOSHPSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000346658767 457097549 /nfs/dbraw/zinc/09/75/49/457097549.db2.gz POFSWBCULACRRJ-JSGCOSHPSA-N 2 2 328.378 3.299 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164824 457102417 /nfs/dbraw/zinc/10/24/17/457102417.db2.gz CPEFWPDTPKDVSZ-HXUWFJFHSA-N 2 2 325.456 3.183 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164824 457102422 /nfs/dbraw/zinc/10/24/22/457102422.db2.gz CPEFWPDTPKDVSZ-HXUWFJFHSA-N 2 2 325.456 3.183 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164824 457102427 /nfs/dbraw/zinc/10/24/27/457102427.db2.gz CPEFWPDTPKDVSZ-HXUWFJFHSA-N 2 2 325.456 3.183 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3conc3Cc3ccccc3)C2)C1 ZINC000354164824 457102432 /nfs/dbraw/zinc/10/24/32/457102432.db2.gz CPEFWPDTPKDVSZ-HXUWFJFHSA-N 2 2 325.456 3.183 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000342090887 457103408 /nfs/dbraw/zinc/10/34/08/457103408.db2.gz CCAWYFOYCFSAEO-VIFPVBQESA-N 2 2 349.784 3.157 20 0 EGADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccsc1 ZINC000359684548 457113747 /nfs/dbraw/zinc/11/37/47/457113747.db2.gz YVEXUKFTIDBINL-IBGZPJMESA-N 2 2 344.528 3.000 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435433 457118263 /nfs/dbraw/zinc/11/82/63/457118263.db2.gz AHMALMLLEDAIIO-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435433 457118265 /nfs/dbraw/zinc/11/82/65/457118265.db2.gz AHMALMLLEDAIIO-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000339435433 457118270 /nfs/dbraw/zinc/11/82/70/457118270.db2.gz AHMALMLLEDAIIO-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000339435433 457118275 /nfs/dbraw/zinc/11/82/75/457118275.db2.gz AHMALMLLEDAIIO-PZJWPPBQSA-N 2 2 343.515 3.062 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000356877014 457192459 /nfs/dbraw/zinc/19/24/59/457192459.db2.gz RSMCZTJWCYSXPZ-UHFFFAOYSA-N 2 2 338.361 3.288 20 0 EGADLP Fc1ccc(C2([NH2+]C3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC000346790020 457171539 /nfs/dbraw/zinc/17/15/39/457171539.db2.gz GMERBEQETGYBHK-UHFFFAOYSA-N 2 2 325.431 3.464 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](CC4CC4)C3)c2cc1C ZINC000339672158 457203429 /nfs/dbraw/zinc/20/34/29/457203429.db2.gz GMMYKZAAERWHHW-ROUUACIJSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](CC4CC4)C3)c2cc1C ZINC000339672158 457203433 /nfs/dbraw/zinc/20/34/33/457203433.db2.gz GMMYKZAAERWHHW-ROUUACIJSA-N 2 2 327.472 3.136 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000360030128 457213349 /nfs/dbraw/zinc/21/33/49/457213349.db2.gz UQFFTESDRBVMHB-YJBOKZPZSA-N 2 2 344.503 3.448 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000360030128 457213355 /nfs/dbraw/zinc/21/33/55/457213355.db2.gz UQFFTESDRBVMHB-YJBOKZPZSA-N 2 2 344.503 3.448 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](CO)c3ccccc3Cl)n2c1 ZINC000342296924 457220239 /nfs/dbraw/zinc/22/02/39/457220239.db2.gz QSZUGFJXXYPDDD-AWEZNQCLSA-N 2 2 329.831 3.162 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccn1 ZINC000342300133 457222423 /nfs/dbraw/zinc/22/24/23/457222423.db2.gz SNOXOJICZAOWKA-ZDUSSCGKSA-N 2 2 346.500 3.164 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)ccn1 ZINC000342300133 457222426 /nfs/dbraw/zinc/22/24/26/457222426.db2.gz SNOXOJICZAOWKA-ZDUSSCGKSA-N 2 2 346.500 3.164 20 0 EGADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000360052818 457227402 /nfs/dbraw/zinc/22/74/02/457227402.db2.gz CKHSECBRQKMVII-ZFWWWQNUSA-N 2 2 348.516 3.374 20 0 EGADLP Cn1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c(C2CCCCC2)n1 ZINC000347111939 457235729 /nfs/dbraw/zinc/23/57/29/457235729.db2.gz QMXAXPOWRZHPDL-UHFFFAOYSA-N 2 2 330.520 3.432 20 0 EGADLP Cc1ccc(CCC[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)c[nH+]1 ZINC000354489176 457254583 /nfs/dbraw/zinc/25/45/83/457254583.db2.gz FXFFUEVMVMIMGG-UHFFFAOYSA-N 2 2 335.455 3.428 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354508967 457264332 /nfs/dbraw/zinc/26/43/32/457264332.db2.gz KPICLQKYFNXGGW-UHFFFAOYSA-N 2 2 328.456 3.446 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379495 457270908 /nfs/dbraw/zinc/27/09/08/457270908.db2.gz COFPQCXIRQTVBL-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379495 457270915 /nfs/dbraw/zinc/27/09/15/457270915.db2.gz COFPQCXIRQTVBL-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379495 457270917 /nfs/dbraw/zinc/27/09/17/457270917.db2.gz COFPQCXIRQTVBL-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP C[NH+](C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000351379495 457270921 /nfs/dbraw/zinc/27/09/21/457270921.db2.gz COFPQCXIRQTVBL-IFMALSPDSA-N 2 2 336.479 3.089 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H]1C[NH3+] ZINC000347188959 457278324 /nfs/dbraw/zinc/27/83/24/457278324.db2.gz CWPNRDUHVQYRRF-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H]1C[NH3+] ZINC000347188959 457278331 /nfs/dbraw/zinc/27/83/31/457278331.db2.gz CWPNRDUHVQYRRF-JXFKEZNVSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H]1C[NH3+] ZINC000347188991 457279513 /nfs/dbraw/zinc/27/95/13/457279513.db2.gz CWPNRDUHVQYRRF-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H]1C[NH3+] ZINC000347188991 457279519 /nfs/dbraw/zinc/27/95/19/457279519.db2.gz CWPNRDUHVQYRRF-UZLBHIALSA-N 2 2 325.456 3.220 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000351472185 457298405 /nfs/dbraw/zinc/29/84/05/457298405.db2.gz ACWDGJMUBQLRJS-ULQDDVLXSA-N 2 2 326.444 3.029 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000351472185 457298409 /nfs/dbraw/zinc/29/84/09/457298409.db2.gz ACWDGJMUBQLRJS-ULQDDVLXSA-N 2 2 326.444 3.029 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000339831512 457298560 /nfs/dbraw/zinc/29/85/60/457298560.db2.gz SYOVWEGAKUVOOL-UHFFFAOYSA-N 2 2 325.456 3.025 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332126404 457310055 /nfs/dbraw/zinc/31/00/55/457310055.db2.gz JEINJFVXLGUNGE-QWHCGFSZSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332126404 457310057 /nfs/dbraw/zinc/31/00/57/457310057.db2.gz JEINJFVXLGUNGE-QWHCGFSZSA-N 2 2 332.835 3.270 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357098289 457320698 /nfs/dbraw/zinc/32/06/98/457320698.db2.gz AHSDEYWTVNYWQT-JKSUJKDBSA-N 2 2 344.890 3.184 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357098289 457320699 /nfs/dbraw/zinc/32/06/99/457320699.db2.gz AHSDEYWTVNYWQT-JKSUJKDBSA-N 2 2 344.890 3.184 20 0 EGADLP Cc1ccccc1-c1nc(C[N@H+](CCC[NH3+])CC2CCCC2)no1 ZINC000352495307 457413325 /nfs/dbraw/zinc/41/33/25/457413325.db2.gz KPKABZURYDFTRD-UHFFFAOYSA-N 2 2 328.460 3.386 20 0 EGADLP Cc1ccccc1-c1nc(C[N@@H+](CCC[NH3+])CC2CCCC2)no1 ZINC000352495307 457413331 /nfs/dbraw/zinc/41/33/31/457413331.db2.gz KPKABZURYDFTRD-UHFFFAOYSA-N 2 2 328.460 3.386 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@@H+](C)C[C@@H](C)O)CC3)cc2c(C)c1 ZINC000360897744 457419116 /nfs/dbraw/zinc/41/91/16/457419116.db2.gz NZXUFPAJKZZQCQ-MRXNPFEDSA-N 2 2 329.488 3.062 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@H+](C)C[C@@H](C)O)CC3)cc2c(C)c1 ZINC000360897744 457419120 /nfs/dbraw/zinc/41/91/20/457419120.db2.gz NZXUFPAJKZZQCQ-MRXNPFEDSA-N 2 2 329.488 3.062 20 0 EGADLP COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(C)c1OC ZINC000352546600 457456782 /nfs/dbraw/zinc/45/67/82/457456782.db2.gz XSDOMDNTXVXYQJ-UHFFFAOYSA-N 2 2 338.411 3.264 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccco2)o1 ZINC000360955010 457463508 /nfs/dbraw/zinc/46/35/08/457463508.db2.gz ISKLCISQMFQEQL-GJZGRUSLSA-N 2 2 332.448 3.320 20 0 EGADLP COc1ccc(F)cc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000360957268 457465980 /nfs/dbraw/zinc/46/59/80/457465980.db2.gz YMSFWKWHMWMEEE-UHFFFAOYSA-N 2 2 339.414 3.411 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000395014029 457474578 /nfs/dbraw/zinc/47/45/78/457474578.db2.gz MZXDJWOKNRVDML-STQMWFEESA-N 2 2 327.241 3.305 20 0 EGADLP Fc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000395014029 457474581 /nfs/dbraw/zinc/47/45/81/457474581.db2.gz MZXDJWOKNRVDML-STQMWFEESA-N 2 2 327.241 3.305 20 0 EGADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312848 457493650 /nfs/dbraw/zinc/49/36/50/457493650.db2.gz HKQZZECAZHBNKC-SJLPKXTDSA-N 2 2 342.487 3.168 20 0 EGADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425312848 457493657 /nfs/dbraw/zinc/49/36/57/457493657.db2.gz HKQZZECAZHBNKC-SJLPKXTDSA-N 2 2 342.487 3.168 20 0 EGADLP Cc1ccc(C)c(OC2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)c1 ZINC000425319634 457495214 /nfs/dbraw/zinc/49/52/14/457495214.db2.gz BFEBOZKPSJJGQF-UHFFFAOYSA-N 2 2 342.487 3.146 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401067306 457522902 /nfs/dbraw/zinc/52/29/02/457522902.db2.gz JACMRMPCWYSELX-SLFFLAALSA-N 3 2 327.516 3.019 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401067306 457522908 /nfs/dbraw/zinc/52/29/08/457522908.db2.gz JACMRMPCWYSELX-SLFFLAALSA-N 3 2 327.516 3.019 20 0 EGADLP Cn1c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc2ccccc21 ZINC000361072368 457564458 /nfs/dbraw/zinc/56/44/58/457564458.db2.gz GKMWARVHBOAIJM-UHFFFAOYSA-N 2 2 337.471 3.462 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076775 457567093 /nfs/dbraw/zinc/56/70/93/457567093.db2.gz SCEGWHYEESVMTA-FUHWJXTLSA-N 2 2 341.503 3.347 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076775 457567099 /nfs/dbraw/zinc/56/70/99/457567099.db2.gz SCEGWHYEESVMTA-FUHWJXTLSA-N 2 2 341.503 3.347 20 0 EGADLP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352735046 457569240 /nfs/dbraw/zinc/56/92/40/457569240.db2.gz GDIVFYZDRIVDCT-SJCJKPOMSA-N 2 2 337.464 3.210 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCOc3c(F)cccc32)s1 ZINC000352743005 457574844 /nfs/dbraw/zinc/57/48/44/457574844.db2.gz SDGURNGGPUMPLS-HNNXBMFYSA-N 2 2 335.448 3.347 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2csc(C(C)(C)C)n2)s1 ZINC000352743178 457576765 /nfs/dbraw/zinc/57/67/65/457576765.db2.gz TYWNJPQJWTZOLG-UHFFFAOYSA-N 2 2 338.546 3.291 20 0 EGADLP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352757109 457586379 /nfs/dbraw/zinc/58/63/79/457586379.db2.gz DLMIZJPYOAQDDW-LSDHHAIUSA-N 2 2 325.522 3.278 20 0 EGADLP COCCOCc1ccc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000361135973 457606157 /nfs/dbraw/zinc/60/61/57/457606157.db2.gz KZBJOTMTHWHYQT-UHFFFAOYSA-N 2 2 339.439 3.096 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000364459409 457612321 /nfs/dbraw/zinc/61/23/21/457612321.db2.gz QYVSMVLQLSVYKZ-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP Cn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C(F)F)n1 ZINC000361145765 457612623 /nfs/dbraw/zinc/61/26/23/457612623.db2.gz OBQYTKRWIYAIRT-UHFFFAOYSA-N 2 2 337.418 3.247 20 0 EGADLP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000361182552 457634648 /nfs/dbraw/zinc/63/46/48/457634648.db2.gz CWVSUPAHCWNQED-UHFFFAOYSA-N 3 2 349.563 3.018 20 0 EGADLP Brc1c[nH+]ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000364568426 457643948 /nfs/dbraw/zinc/64/39/48/457643948.db2.gz VYBOSWIWOWICBQ-UHFFFAOYSA-N 2 2 329.201 3.064 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000370598490 457679941 /nfs/dbraw/zinc/67/99/41/457679941.db2.gz SEFQVZSQHOBNPT-NSHDSACASA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000370598490 457679943 /nfs/dbraw/zinc/67/99/43/457679943.db2.gz SEFQVZSQHOBNPT-NSHDSACASA-N 2 2 338.224 3.311 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671385 457697029 /nfs/dbraw/zinc/69/70/29/457697029.db2.gz QSSVAPSOEYUCAY-LEWJYISDSA-N 3 2 345.506 3.049 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000370671385 457697032 /nfs/dbraw/zinc/69/70/32/457697032.db2.gz QSSVAPSOEYUCAY-LEWJYISDSA-N 3 2 345.506 3.049 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000358036783 457746597 /nfs/dbraw/zinc/74/65/97/457746597.db2.gz PURIRANFHSOBQO-INIZCTEOSA-N 2 2 336.545 3.464 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000358036783 457746599 /nfs/dbraw/zinc/74/65/99/457746599.db2.gz PURIRANFHSOBQO-INIZCTEOSA-N 2 2 336.545 3.464 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000358039244 457747135 /nfs/dbraw/zinc/74/71/35/457747135.db2.gz URYDCCCLPVQRAB-MRXNPFEDSA-N 2 2 346.814 3.175 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000358039244 457747137 /nfs/dbraw/zinc/74/71/37/457747137.db2.gz URYDCCCLPVQRAB-MRXNPFEDSA-N 2 2 346.814 3.175 20 0 EGADLP C[N@H+]([C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC[NH+](CCO)CC1 ZINC000443627080 457791318 /nfs/dbraw/zinc/79/13/18/457791318.db2.gz KAXCRJZXFXTGCJ-QGZVFWFLSA-N 2 2 343.298 3.369 20 0 EGADLP C[N@@H+]([C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC[NH+](CCO)CC1 ZINC000443627080 457791319 /nfs/dbraw/zinc/79/13/19/457791319.db2.gz KAXCRJZXFXTGCJ-QGZVFWFLSA-N 2 2 343.298 3.369 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000443642885 457794147 /nfs/dbraw/zinc/79/41/47/457794147.db2.gz TYYOEDQPMLMYCC-UHFFFAOYSA-N 2 2 338.377 3.055 20 0 EGADLP C[NH+](C)Cc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000433305886 457805226 /nfs/dbraw/zinc/80/52/26/457805226.db2.gz OWYBNXXMMGAFEV-UHFFFAOYSA-N 2 2 338.386 3.325 20 0 EGADLP C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358161008 457824504 /nfs/dbraw/zinc/82/45/04/457824504.db2.gz QQTOSYHNRUCLRM-AUUYWEPGSA-N 2 2 325.387 3.396 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cnc4ccc(C)cc4c3)CC2)c1 ZINC000411233080 457838028 /nfs/dbraw/zinc/83/80/28/457838028.db2.gz BJSHYAWTQIVBBW-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366543821 457845555 /nfs/dbraw/zinc/84/55/55/457845555.db2.gz JUUFMXBKSYZQGS-KBXCAEBGSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366543821 457845565 /nfs/dbraw/zinc/84/55/65/457845565.db2.gz JUUFMXBKSYZQGS-KBXCAEBGSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366543821 457845571 /nfs/dbraw/zinc/84/55/71/457845571.db2.gz JUUFMXBKSYZQGS-KBXCAEBGSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366543821 457845574 /nfs/dbraw/zinc/84/55/74/457845574.db2.gz JUUFMXBKSYZQGS-KBXCAEBGSA-N 2 2 335.879 3.003 20 0 EGADLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295526 457851479 /nfs/dbraw/zinc/85/14/79/457851479.db2.gz QJPCKVFHANVVKV-SEPYTNNBSA-N 2 2 334.529 3.014 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300336 457855355 /nfs/dbraw/zinc/85/53/55/457855355.db2.gz OKXQFQHIIQWUJE-JFIYKMOQSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300336 457855361 /nfs/dbraw/zinc/85/53/61/457855361.db2.gz OKXQFQHIIQWUJE-JFIYKMOQSA-N 2 2 338.879 3.032 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444207799 457866819 /nfs/dbraw/zinc/86/68/19/457866819.db2.gz WMRSTCAVUBOOEA-DEPCRRQNSA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444207799 457866825 /nfs/dbraw/zinc/86/68/25/457866825.db2.gz WMRSTCAVUBOOEA-DEPCRRQNSA-N 2 2 349.563 3.124 20 0 EGADLP CC(C)[NH+](CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000361806233 457873305 /nfs/dbraw/zinc/87/33/05/457873305.db2.gz GBUZSGYUHKJONW-UHFFFAOYSA-N 3 2 332.536 3.145 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000444265164 457876135 /nfs/dbraw/zinc/87/61/35/457876135.db2.gz JHTSRDMODUKGNQ-YLJYHZDGSA-N 2 2 338.455 3.288 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnc4n3CCCC4)CC2)C1 ZINC000375319250 457879727 /nfs/dbraw/zinc/87/97/27/457879727.db2.gz KDOKCVPWXHGQTL-AEFFLSMTSA-N 2 2 330.520 3.352 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3c[nH+]c4n3CCCC4)CC2)C1 ZINC000375319250 457879730 /nfs/dbraw/zinc/87/97/30/457879730.db2.gz KDOKCVPWXHGQTL-AEFFLSMTSA-N 2 2 330.520 3.352 20 0 EGADLP CC(C)c1nc(N2CC[C@@H](OCC[NH+](C)C)C2)cc(C(C)(C)C)[nH+]1 ZINC000433775829 457884046 /nfs/dbraw/zinc/88/40/46/457884046.db2.gz VZFCMGFIOUVXLT-OAHLLOKOSA-N 2 2 334.508 3.054 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253493 457890004 /nfs/dbraw/zinc/89/00/04/457890004.db2.gz NVBLEDIXFWWKDO-QMTHXVAHSA-N 2 2 335.300 3.089 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253493 457890012 /nfs/dbraw/zinc/89/00/12/457890012.db2.gz NVBLEDIXFWWKDO-QMTHXVAHSA-N 2 2 335.300 3.089 20 0 EGADLP CCC[N@H+](C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444561643 457910382 /nfs/dbraw/zinc/91/03/82/457910382.db2.gz QMAZREQROKTCPB-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP CCC[N@@H+](C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444561643 457910389 /nfs/dbraw/zinc/91/03/89/457910389.db2.gz QMAZREQROKTCPB-UHFFFAOYSA-N 2 2 326.444 3.167 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302244 457920778 /nfs/dbraw/zinc/92/07/78/457920778.db2.gz PYRMQXYVMICYGV-MISYRCLQSA-N 2 2 344.499 3.140 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000358302244 457920783 /nfs/dbraw/zinc/92/07/83/457920783.db2.gz PYRMQXYVMICYGV-MISYRCLQSA-N 2 2 344.499 3.140 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427125048 457946753 /nfs/dbraw/zinc/94/67/53/457946753.db2.gz YWAPUGZVMMHCCK-QZTJIDSGSA-N 2 2 332.488 3.448 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OCC ZINC000427125048 457946760 /nfs/dbraw/zinc/94/67/60/457946760.db2.gz YWAPUGZVMMHCCK-QZTJIDSGSA-N 2 2 332.488 3.448 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358351096 457951815 /nfs/dbraw/zinc/95/18/15/457951815.db2.gz JRPRCNYMLQFXDO-IPJJNNNSSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000358351096 457951820 /nfs/dbraw/zinc/95/18/20/457951820.db2.gz JRPRCNYMLQFXDO-IPJJNNNSSA-N 2 2 336.479 3.207 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[S@@]1=O ZINC000411720102 457962328 /nfs/dbraw/zinc/96/23/28/457962328.db2.gz PBOMLEKXQKWPSD-IQOKHDRSSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[S@@]1=O ZINC000411720102 457962331 /nfs/dbraw/zinc/96/23/31/457962331.db2.gz PBOMLEKXQKWPSD-IQOKHDRSSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(OC)c(OC)c1 ZINC000361968027 457983900 /nfs/dbraw/zinc/98/39/00/457983900.db2.gz YIOAKNXWLMNWRX-YJBOKZPZSA-N 2 2 338.517 3.182 20 0 EGADLP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000362087653 458029543 /nfs/dbraw/zinc/02/95/43/458029543.db2.gz RQGRQQYITROVHM-GOSISDBHSA-N 2 2 338.455 3.425 20 0 EGADLP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000362087653 458029549 /nfs/dbraw/zinc/02/95/49/458029549.db2.gz RQGRQQYITROVHM-GOSISDBHSA-N 2 2 338.455 3.425 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000427852172 458043569 /nfs/dbraw/zinc/04/35/69/458043569.db2.gz DZRUDXOJCVPYLO-CZUORRHYSA-N 2 2 339.418 3.182 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OCC(F)(F)F)cc1 ZINC000427855657 458044971 /nfs/dbraw/zinc/04/49/71/458044971.db2.gz LIQCPOQFEFGKKN-TZMCWYRMSA-N 2 2 339.361 3.490 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428030950 458067521 /nfs/dbraw/zinc/06/75/21/458067521.db2.gz FYQNGEUVXIYENI-IHPCNDPISA-N 2 2 335.451 3.050 20 0 EGADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428030950 458067526 /nfs/dbraw/zinc/06/75/26/458067526.db2.gz FYQNGEUVXIYENI-IHPCNDPISA-N 2 2 335.451 3.050 20 0 EGADLP C[C@@H]1C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435372337 458122027 /nfs/dbraw/zinc/12/20/27/458122027.db2.gz JONCGJOPHLCGBO-RISCZKNCSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435372337 458122032 /nfs/dbraw/zinc/12/20/32/458122032.db2.gz JONCGJOPHLCGBO-RISCZKNCSA-N 2 2 349.276 3.008 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000435375524 458125117 /nfs/dbraw/zinc/12/51/17/458125117.db2.gz MYJFMYFGEIVGQI-AWEZNQCLSA-N 2 2 330.476 3.093 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000435375524 458125125 /nfs/dbraw/zinc/12/51/25/458125125.db2.gz MYJFMYFGEIVGQI-AWEZNQCLSA-N 2 2 330.476 3.093 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435376920 458125864 /nfs/dbraw/zinc/12/58/64/458125864.db2.gz WEVWVCPOHGZWRP-HXUWFJFHSA-N 2 2 332.451 3.131 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000435376920 458125871 /nfs/dbraw/zinc/12/58/71/458125871.db2.gz WEVWVCPOHGZWRP-HXUWFJFHSA-N 2 2 332.451 3.131 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376041 458126779 /nfs/dbraw/zinc/12/67/79/458126779.db2.gz YEYOMRJBHWBXCK-RYUDHWBXSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000435376041 458126784 /nfs/dbraw/zinc/12/67/84/458126784.db2.gz YEYOMRJBHWBXCK-RYUDHWBXSA-N 2 2 349.276 3.008 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000435378334 458128859 /nfs/dbraw/zinc/12/88/59/458128859.db2.gz DAOSSZMWVCFDRH-UHFFFAOYSA-N 2 2 342.487 3.109 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[NH2+]CC2)c1 ZINC000435378334 458128864 /nfs/dbraw/zinc/12/88/64/458128864.db2.gz DAOSSZMWVCFDRH-UHFFFAOYSA-N 2 2 342.487 3.109 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1cccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420580 458141572 /nfs/dbraw/zinc/14/15/72/458141572.db2.gz CYGSHYMJBOZLOF-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1cccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420580 458141576 /nfs/dbraw/zinc/14/15/76/458141576.db2.gz CYGSHYMJBOZLOF-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435628402 458175957 /nfs/dbraw/zinc/17/59/57/458175957.db2.gz QPFWRPFHDZGSLF-GFCCVEGCSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435628402 458175965 /nfs/dbraw/zinc/17/59/65/458175965.db2.gz QPFWRPFHDZGSLF-GFCCVEGCSA-N 2 2 344.286 3.396 20 0 EGADLP CC(C)CCOCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688763 458185767 /nfs/dbraw/zinc/18/57/67/458185767.db2.gz SOCMPDHCYJCZME-INIZCTEOSA-N 2 2 337.533 3.150 20 0 EGADLP CC(C)CCOCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688763 458185771 /nfs/dbraw/zinc/18/57/71/458185771.db2.gz SOCMPDHCYJCZME-INIZCTEOSA-N 2 2 337.533 3.150 20 0 EGADLP CCSc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000372214175 458235625 /nfs/dbraw/zinc/23/56/25/458235625.db2.gz CBLKLHZBCQKOBR-GOSISDBHSA-N 2 2 333.545 3.010 20 0 EGADLP CCSc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000372214175 458235632 /nfs/dbraw/zinc/23/56/32/458235632.db2.gz CBLKLHZBCQKOBR-GOSISDBHSA-N 2 2 333.545 3.010 20 0 EGADLP O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000376389539 458286175 /nfs/dbraw/zinc/28/61/75/458286175.db2.gz XJGVIMIAFTZMIX-AWEZNQCLSA-N 2 2 345.830 3.399 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000429524762 458339897 /nfs/dbraw/zinc/33/98/97/458339897.db2.gz ARKAAQCIQVNYPJ-LJQANCHMSA-N 2 2 345.531 3.230 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000429524762 458339900 /nfs/dbraw/zinc/33/99/00/458339900.db2.gz ARKAAQCIQVNYPJ-LJQANCHMSA-N 2 2 345.531 3.230 20 0 EGADLP COC1(C[C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)CCC1 ZINC000429521252 458340513 /nfs/dbraw/zinc/34/05/13/458340513.db2.gz MQXWXBDBVJMONR-QGZVFWFLSA-N 2 2 327.472 3.411 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360465 458343156 /nfs/dbraw/zinc/34/31/56/458343156.db2.gz OHIYZJZSXCVALT-YJBOKZPZSA-N 2 2 340.471 3.154 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360465 458343161 /nfs/dbraw/zinc/34/31/61/458343161.db2.gz OHIYZJZSXCVALT-YJBOKZPZSA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360465 458343164 /nfs/dbraw/zinc/34/31/64/458343164.db2.gz OHIYZJZSXCVALT-YJBOKZPZSA-N 2 2 340.471 3.154 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000459360465 458343167 /nfs/dbraw/zinc/34/31/67/458343167.db2.gz OHIYZJZSXCVALT-YJBOKZPZSA-N 2 2 340.471 3.154 20 0 EGADLP COc1cc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)ccc1C ZINC000447821930 458347065 /nfs/dbraw/zinc/34/70/65/458347065.db2.gz NAJXGKWURGPZOV-UHFFFAOYSA-N 2 2 334.529 3.455 20 0 EGADLP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429686478 458358242 /nfs/dbraw/zinc/35/82/42/458358242.db2.gz NMVIENZJRCEUPD-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429686478 458358249 /nfs/dbraw/zinc/35/82/49/458358249.db2.gz NMVIENZJRCEUPD-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1[C@H](C)SCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429686478 458358252 /nfs/dbraw/zinc/35/82/52/458358252.db2.gz NMVIENZJRCEUPD-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1[C@H](C)SCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429686478 458358257 /nfs/dbraw/zinc/35/82/57/458358257.db2.gz NMVIENZJRCEUPD-ZIFCJYIRSA-N 2 2 334.529 3.103 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448024324 458380427 /nfs/dbraw/zinc/38/04/27/458380427.db2.gz XQWDDTKODDTUMS-QAPCUYQASA-N 2 2 347.503 3.122 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000448024324 458380433 /nfs/dbraw/zinc/38/04/33/458380433.db2.gz XQWDDTKODDTUMS-QAPCUYQASA-N 2 2 347.503 3.122 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000373202032 458427590 /nfs/dbraw/zinc/42/75/90/458427590.db2.gz MVSICXTUAOCOFF-WOJBJXKFSA-N 2 2 331.504 3.229 20 0 EGADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000423480637 458439259 /nfs/dbraw/zinc/43/92/59/458439259.db2.gz WHJKUWIUSBGFPH-XHDPSFHLSA-N 2 2 329.282 3.482 20 0 EGADLP [NH3+]CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000423495625 458443502 /nfs/dbraw/zinc/44/35/02/458443502.db2.gz CEPRLONVEGGYOB-NRFANRHFSA-N 3 2 338.499 3.116 20 0 EGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423498431 458443810 /nfs/dbraw/zinc/44/38/10/458443810.db2.gz AZFCKCPABMJBPH-RCCFBDPRSA-N 2 2 326.415 3.167 20 0 EGADLP CCOC[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000459674797 458444313 /nfs/dbraw/zinc/44/43/13/458444313.db2.gz LGIHJRYRMOAXCE-HNNXBMFYSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC[C@@H]1CCCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000459674797 458444316 /nfs/dbraw/zinc/44/43/16/458444316.db2.gz LGIHJRYRMOAXCE-HNNXBMFYSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC[C@@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000459674797 458444320 /nfs/dbraw/zinc/44/43/20/458444320.db2.gz LGIHJRYRMOAXCE-HNNXBMFYSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC[C@@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000459674797 458444323 /nfs/dbraw/zinc/44/43/23/458444323.db2.gz LGIHJRYRMOAXCE-HNNXBMFYSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]([NH3+])c2ccccc2CC)CC1 ZINC000423509522 458447904 /nfs/dbraw/zinc/44/79/04/458447904.db2.gz RMZAKSDIXZIAKN-IPCDKGFNSA-N 2 2 332.488 3.350 20 0 EGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423514733 458448673 /nfs/dbraw/zinc/44/86/73/458448673.db2.gz MNGJAYRWKBITQA-PBHICJAKSA-N 2 2 345.512 3.071 20 0 EGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000423516843 458448830 /nfs/dbraw/zinc/44/88/30/458448830.db2.gz HAWDWMIBULGEPN-HZPDHXFCSA-N 2 2 330.394 3.371 20 0 EGADLP CCCC[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000423567552 458458422 /nfs/dbraw/zinc/45/84/22/458458422.db2.gz DCWWYPXBBWZJKP-DLBZAZTESA-N 2 2 346.519 3.200 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000423577662 458458578 /nfs/dbraw/zinc/45/85/78/458458578.db2.gz SKWBVXWNDIPMCC-WBVHZDCISA-N 2 2 336.888 3.263 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559566 458461223 /nfs/dbraw/zinc/46/12/23/458461223.db2.gz DMNWPCSSXAXVDJ-OCCSQVGLSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559566 458461230 /nfs/dbraw/zinc/46/12/30/458461230.db2.gz DMNWPCSSXAXVDJ-OCCSQVGLSA-N 2 2 345.409 3.338 20 0 EGADLP CCN(C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000430575347 458464041 /nfs/dbraw/zinc/46/40/41/458464041.db2.gz QOKDODWNUOPSHD-QAPCUYQASA-N 2 2 337.483 3.040 20 0 EGADLP CCN(C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000430575347 458464044 /nfs/dbraw/zinc/46/40/44/458464044.db2.gz QOKDODWNUOPSHD-QAPCUYQASA-N 2 2 337.483 3.040 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430585453 458466594 /nfs/dbraw/zinc/46/65/94/458466594.db2.gz SKDJNPYLEKBEOK-XQQFMLRXSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430585453 458466597 /nfs/dbraw/zinc/46/65/97/458466597.db2.gz SKDJNPYLEKBEOK-XQQFMLRXSA-N 2 2 343.393 3.092 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)CC(C)(C)C[NH3+] ZINC000430597256 458469362 /nfs/dbraw/zinc/46/93/62/458469362.db2.gz ZLSSDWRDOXIGHP-UHFFFAOYSA-N 2 2 339.483 3.133 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)CC(C)(C)C[NH3+] ZINC000430597256 458469366 /nfs/dbraw/zinc/46/93/66/458469366.db2.gz ZLSSDWRDOXIGHP-UHFFFAOYSA-N 2 2 339.483 3.133 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620592 458471859 /nfs/dbraw/zinc/47/18/59/458471859.db2.gz CCMJHUZVXOTINY-HOTGVXAUSA-N 2 2 325.456 3.098 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000430620592 458471861 /nfs/dbraw/zinc/47/18/61/458471861.db2.gz CCMJHUZVXOTINY-HOTGVXAUSA-N 2 2 325.456 3.098 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430659603 458476972 /nfs/dbraw/zinc/47/69/72/458476972.db2.gz ZXABLUOYPONFRN-KRWDZBQOSA-N 2 2 337.467 3.224 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430659603 458476976 /nfs/dbraw/zinc/47/69/76/458476976.db2.gz ZXABLUOYPONFRN-KRWDZBQOSA-N 2 2 337.467 3.224 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C(C)C)cc1 ZINC000430926749 458506535 /nfs/dbraw/zinc/50/65/35/458506535.db2.gz GZTJLFHQDMIYTI-OZOXKJRCSA-N 2 2 345.531 3.292 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C(C)C)cc1 ZINC000430926749 458506539 /nfs/dbraw/zinc/50/65/39/458506539.db2.gz GZTJLFHQDMIYTI-OZOXKJRCSA-N 2 2 345.531 3.292 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430946810 458508927 /nfs/dbraw/zinc/50/89/27/458508927.db2.gz YBZQFUBBOONYRQ-BEFAXECRSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430946810 458508929 /nfs/dbraw/zinc/50/89/29/458508929.db2.gz YBZQFUBBOONYRQ-BEFAXECRSA-N 2 2 339.439 3.087 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954498 458509602 /nfs/dbraw/zinc/50/96/02/458509602.db2.gz FUYUVQDJUHZYEO-SJORKVTESA-N 2 2 337.467 3.222 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954498 458509608 /nfs/dbraw/zinc/50/96/08/458509608.db2.gz FUYUVQDJUHZYEO-SJORKVTESA-N 2 2 337.467 3.222 20 0 EGADLP CC[C@@H]1CN(c2cc(C)c3ccc(C)cc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000460943596 458541452 /nfs/dbraw/zinc/54/14/52/458541452.db2.gz MZYQTJCJPBAYMQ-DLBZAZTESA-N 2 2 327.472 3.133 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ncc(C(F)(F)F)s1)CCC2 ZINC000377905570 458569651 /nfs/dbraw/zinc/56/96/51/458569651.db2.gz JQGYDJFLYAHOII-JTQLQIEISA-N 2 2 330.379 3.334 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1[C@H]3CCO[C@H]3C13CCCC3)C2 ZINC000493936036 458604062 /nfs/dbraw/zinc/60/40/62/458604062.db2.gz JUQVAWFPMUMZQX-QGWWYQLQSA-N 2 2 343.515 3.433 20 0 EGADLP [NH3+]C[C@@H](C[N@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(F)cc1 ZINC000424304299 458610832 /nfs/dbraw/zinc/61/08/32/458610832.db2.gz QSKROOJRIITAKL-SFHVURJKSA-N 2 2 338.430 3.294 20 0 EGADLP [NH3+]C[C@@H](C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)c1ccc(F)cc1 ZINC000424304299 458610837 /nfs/dbraw/zinc/61/08/37/458610837.db2.gz QSKROOJRIITAKL-SFHVURJKSA-N 2 2 338.430 3.294 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000424326435 458615772 /nfs/dbraw/zinc/61/57/72/458615772.db2.gz YIQLWAQEPKWSTH-LSDHHAIUSA-N 2 2 340.895 3.092 20 0 EGADLP Cn1cc([C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)s3)C[C@H]2[NH3+])cn1 ZINC000424380503 458628605 /nfs/dbraw/zinc/62/86/05/458628605.db2.gz PSHRIUXGBZQQTL-ZWKOTPCHSA-N 2 2 338.480 3.075 20 0 EGADLP Cn1cc([C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@H]2[NH3+])cn1 ZINC000424380503 458628614 /nfs/dbraw/zinc/62/86/14/458628614.db2.gz PSHRIUXGBZQQTL-ZWKOTPCHSA-N 2 2 338.480 3.075 20 0 EGADLP Cc1ccccc1-c1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424383731 458630461 /nfs/dbraw/zinc/63/04/61/458630461.db2.gz UKJXKOJCCJDCPO-FCHUYYIVSA-N 2 2 346.478 3.322 20 0 EGADLP Cc1ccccc1-c1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424383731 458630465 /nfs/dbraw/zinc/63/04/65/458630465.db2.gz UKJXKOJCCJDCPO-FCHUYYIVSA-N 2 2 346.478 3.322 20 0 EGADLP Fc1ccccc1OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471001581 458674298 /nfs/dbraw/zinc/67/42/98/458674298.db2.gz QNFIGBCJEWLDEZ-KDURUIRLSA-N 2 2 340.442 3.268 20 0 EGADLP Fc1ccccc1OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471001581 458674305 /nfs/dbraw/zinc/67/43/05/458674305.db2.gz QNFIGBCJEWLDEZ-KDURUIRLSA-N 2 2 340.442 3.268 20 0 EGADLP Fc1ccccc1OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471001581 458674310 /nfs/dbraw/zinc/67/43/10/458674310.db2.gz QNFIGBCJEWLDEZ-KDURUIRLSA-N 2 2 340.442 3.268 20 0 EGADLP Fc1ccccc1OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471001581 458674316 /nfs/dbraw/zinc/67/43/16/458674316.db2.gz QNFIGBCJEWLDEZ-KDURUIRLSA-N 2 2 340.442 3.268 20 0 EGADLP COc1cc(OC)c(C2CC[NH+]([C@@H](C)[C@@H]3CCC[NH2+]3)CC2)c(OC)c1 ZINC000530214335 458718124 /nfs/dbraw/zinc/71/81/24/458718124.db2.gz XTXGWINBGJIONM-YOEHRIQHSA-N 2 2 348.487 3.032 20 0 EGADLP C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713329 458737470 /nfs/dbraw/zinc/73/74/70/458737470.db2.gz VSNUTLILYRDLGG-LSDHHAIUSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000494713329 458737474 /nfs/dbraw/zinc/73/74/74/458737474.db2.gz VSNUTLILYRDLGG-LSDHHAIUSA-N 2 2 344.459 3.069 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266202 458871812 /nfs/dbraw/zinc/87/18/12/458871812.db2.gz PHQGNRBVTREVQN-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266202 458871818 /nfs/dbraw/zinc/87/18/18/458871818.db2.gz PHQGNRBVTREVQN-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266202 458871822 /nfs/dbraw/zinc/87/18/22/458871822.db2.gz PHQGNRBVTREVQN-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474266202 458871825 /nfs/dbraw/zinc/87/18/25/458871825.db2.gz PHQGNRBVTREVQN-GOSISDBHSA-N 2 2 326.488 3.344 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000518528146 458874571 /nfs/dbraw/zinc/87/45/71/458874571.db2.gz QRAMSBOCLHHMGN-MAUKXSAKSA-N 2 2 347.503 3.043 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000474810295 458902512 /nfs/dbraw/zinc/90/25/12/458902512.db2.gz RKMDBSRLCQSAFS-CBBWQLFWSA-N 2 2 342.936 3.451 20 0 EGADLP C[C@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000495687655 458919652 /nfs/dbraw/zinc/91/96/52/458919652.db2.gz LMKBMGJIAKVMEG-QQFBHYJXSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000495687655 458919658 /nfs/dbraw/zinc/91/96/58/458919658.db2.gz LMKBMGJIAKVMEG-QQFBHYJXSA-N 2 2 339.524 3.142 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441333097 458921180 /nfs/dbraw/zinc/92/11/80/458921180.db2.gz AAVBLEZVCWRLTE-VQTJNVASSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441333097 458921183 /nfs/dbraw/zinc/92/11/83/458921183.db2.gz AAVBLEZVCWRLTE-VQTJNVASSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441333097 458921184 /nfs/dbraw/zinc/92/11/84/458921184.db2.gz AAVBLEZVCWRLTE-VQTJNVASSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441333097 458921185 /nfs/dbraw/zinc/92/11/85/458921185.db2.gz AAVBLEZVCWRLTE-VQTJNVASSA-N 2 2 345.531 3.402 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441351058 458924321 /nfs/dbraw/zinc/92/43/21/458924321.db2.gz WAKNWLFDJZUDRJ-MSOLQXFVSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441351058 458924327 /nfs/dbraw/zinc/92/43/27/458924327.db2.gz WAKNWLFDJZUDRJ-MSOLQXFVSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441351058 458924328 /nfs/dbraw/zinc/92/43/28/458924328.db2.gz WAKNWLFDJZUDRJ-MSOLQXFVSA-N 2 2 325.541 3.124 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823802 458926095 /nfs/dbraw/zinc/92/60/95/458926095.db2.gz RMELRFFHXBPYNE-XQQSMPNESA-N 2 2 342.531 3.272 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823802 458926103 /nfs/dbraw/zinc/92/61/03/458926103.db2.gz RMELRFFHXBPYNE-XQQSMPNESA-N 2 2 342.531 3.272 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351987 458939171 /nfs/dbraw/zinc/93/91/71/458939171.db2.gz MTGYFZLCUGIVDC-IEBWSBKVSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351987 458939179 /nfs/dbraw/zinc/93/91/79/458939179.db2.gz MTGYFZLCUGIVDC-IEBWSBKVSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351987 458939187 /nfs/dbraw/zinc/93/91/87/458939187.db2.gz MTGYFZLCUGIVDC-IEBWSBKVSA-N 2 2 349.563 3.220 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000475351987 458939193 /nfs/dbraw/zinc/93/91/93/458939193.db2.gz MTGYFZLCUGIVDC-IEBWSBKVSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@@H+]1C ZINC000495776387 458948653 /nfs/dbraw/zinc/94/86/53/458948653.db2.gz GWVOZKSMZIMWCP-RYUDHWBXSA-N 2 2 340.493 3.062 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC[N@H+]1C ZINC000495776387 458948657 /nfs/dbraw/zinc/94/86/57/458948657.db2.gz GWVOZKSMZIMWCP-RYUDHWBXSA-N 2 2 340.493 3.062 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000475630687 458954675 /nfs/dbraw/zinc/95/46/75/458954675.db2.gz IDWUPBAHGDWRKT-CZUORRHYSA-N 2 2 330.394 3.100 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000475630687 458954679 /nfs/dbraw/zinc/95/46/79/458954679.db2.gz IDWUPBAHGDWRKT-CZUORRHYSA-N 2 2 330.394 3.100 20 0 EGADLP Clc1cccc(Cl)c1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519821288 459010918 /nfs/dbraw/zinc/01/09/18/459010918.db2.gz BGPFYKCGEKLLOI-INIZCTEOSA-N 2 2 329.271 3.448 20 0 EGADLP Clc1cccc(Cl)c1OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519821288 459010924 /nfs/dbraw/zinc/01/09/24/459010924.db2.gz BGPFYKCGEKLLOI-INIZCTEOSA-N 2 2 329.271 3.448 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442786372 459035575 /nfs/dbraw/zinc/03/55/75/459035575.db2.gz BCAKLFOXXVSMLN-OAHLLOKOSA-N 2 2 341.499 3.114 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000532202055 459046495 /nfs/dbraw/zinc/04/64/95/459046495.db2.gz FMWDDXHZTOHBJR-MSOLQXFVSA-N 2 2 325.541 3.124 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000557300555 459062245 /nfs/dbraw/zinc/06/22/45/459062245.db2.gz LGSSSPGTHVABMD-HXUWFJFHSA-N 2 2 345.531 3.040 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000567526588 459119564 /nfs/dbraw/zinc/11/95/64/459119564.db2.gz ONBPEYGFWYHHJU-ROUUACIJSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000567526588 459119569 /nfs/dbraw/zinc/11/95/69/459119569.db2.gz ONBPEYGFWYHHJU-ROUUACIJSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000567526588 459119577 /nfs/dbraw/zinc/11/95/77/459119577.db2.gz ONBPEYGFWYHHJU-ROUUACIJSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000567526588 459119584 /nfs/dbraw/zinc/11/95/84/459119584.db2.gz ONBPEYGFWYHHJU-ROUUACIJSA-N 2 2 325.541 3.220 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000577986656 459128501 /nfs/dbraw/zinc/12/85/01/459128501.db2.gz IAMSZXGAMBSOCI-UHFFFAOYSA-N 2 2 349.482 3.318 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000577986656 459128506 /nfs/dbraw/zinc/12/85/06/459128506.db2.gz IAMSZXGAMBSOCI-UHFFFAOYSA-N 2 2 349.482 3.318 20 0 EGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277293 459132434 /nfs/dbraw/zinc/13/24/34/459132434.db2.gz DHCINAUGAGWSEK-LEWJYISDSA-N 2 2 329.532 3.452 20 0 EGADLP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277293 459132437 /nfs/dbraw/zinc/13/24/37/459132437.db2.gz DHCINAUGAGWSEK-LEWJYISDSA-N 2 2 329.532 3.452 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000521319954 459139762 /nfs/dbraw/zinc/13/97/62/459139762.db2.gz VSRYHIHFERFLMP-LBPRGKRZSA-N 2 2 330.303 3.491 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000521319954 459139765 /nfs/dbraw/zinc/13/97/65/459139765.db2.gz VSRYHIHFERFLMP-LBPRGKRZSA-N 2 2 330.303 3.491 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532762820 459139986 /nfs/dbraw/zinc/13/99/86/459139986.db2.gz AGRZRWNTVQNMQX-JRGCBEDISA-N 2 2 330.516 3.428 20 0 EGADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000532762820 459139988 /nfs/dbraw/zinc/13/99/88/459139988.db2.gz AGRZRWNTVQNMQX-JRGCBEDISA-N 2 2 330.516 3.428 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC([NH2+]C(C)C)CC3)on2)cc1 ZINC000594732990 459143579 /nfs/dbraw/zinc/14/35/79/459143579.db2.gz IYJZMUVVVGGLOV-UHFFFAOYSA-N 2 2 329.444 3.313 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000594741047 459148760 /nfs/dbraw/zinc/14/87/60/459148760.db2.gz YTXUHXFXUZAGFS-AWEZNQCLSA-N 2 2 341.858 3.270 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000594741047 459148766 /nfs/dbraw/zinc/14/87/66/459148766.db2.gz YTXUHXFXUZAGFS-AWEZNQCLSA-N 2 2 341.858 3.270 20 0 EGADLP CC(C)([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccccc1 ZINC000594784330 459154740 /nfs/dbraw/zinc/15/47/40/459154740.db2.gz CFRGJRMWQGZNHA-UHFFFAOYSA-N 2 2 334.423 3.379 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1cccc2[nH+]ccn21)NC(=O)OC(C)(C)C ZINC000496457626 459200150 /nfs/dbraw/zinc/20/01/50/459200150.db2.gz FBCIDGNNDXTCKT-UONOGXRCSA-N 2 2 332.448 3.116 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993177 459204160 /nfs/dbraw/zinc/20/41/60/459204160.db2.gz HMUBCDGIRDWEBV-VKJFTORMSA-N 2 2 346.500 3.095 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993177 459204164 /nfs/dbraw/zinc/20/41/64/459204164.db2.gz HMUBCDGIRDWEBV-VKJFTORMSA-N 2 2 346.500 3.095 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000578470016 459205810 /nfs/dbraw/zinc/20/58/10/459205810.db2.gz KTFFYZGKYWQOLC-KRWDZBQOSA-N 2 2 331.504 3.197 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000578470016 459205814 /nfs/dbraw/zinc/20/58/14/459205814.db2.gz KTFFYZGKYWQOLC-KRWDZBQOSA-N 2 2 331.504 3.197 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000558972979 459227832 /nfs/dbraw/zinc/22/78/32/459227832.db2.gz PYZFFVVONWDHQO-UHFFFAOYSA-N 2 2 335.455 3.404 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000595065726 459235011 /nfs/dbraw/zinc/23/50/11/459235011.db2.gz USFHWJOLEYSZLR-WYRWIFRYSA-N 2 2 331.485 3.213 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)N1CCCCC1 ZINC000481164879 459236394 /nfs/dbraw/zinc/23/63/94/459236394.db2.gz AWBSGPOGXZPPBY-SXLOBPIMSA-N 2 2 345.531 3.152 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)N1CCCCC1 ZINC000481164879 459236399 /nfs/dbraw/zinc/23/63/99/459236399.db2.gz AWBSGPOGXZPPBY-SXLOBPIMSA-N 2 2 345.531 3.152 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000559300065 459250222 /nfs/dbraw/zinc/25/02/22/459250222.db2.gz JKBDLLYMCSPGKT-YQVWRLOYSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000559300065 459250224 /nfs/dbraw/zinc/25/02/24/459250224.db2.gz JKBDLLYMCSPGKT-YQVWRLOYSA-N 2 2 336.520 3.495 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@H+]4CCO[C@H](C)C4)CC3)cc2c(C)c1 ZINC000481925304 459281814 /nfs/dbraw/zinc/28/18/14/459281814.db2.gz MRIFNYGHBDPIIS-QGZVFWFLSA-N 2 2 341.499 3.470 20 0 EGADLP Cc1cc2[nH]c(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc2c(C)c1 ZINC000481925304 459281819 /nfs/dbraw/zinc/28/18/19/459281819.db2.gz MRIFNYGHBDPIIS-QGZVFWFLSA-N 2 2 341.499 3.470 20 0 EGADLP C[C@@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000496679380 459283935 /nfs/dbraw/zinc/28/39/35/459283935.db2.gz RYBDPCFHGCNVBY-HZPDHXFCSA-N 2 2 336.480 3.023 20 0 EGADLP C[C@@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000496679380 459283937 /nfs/dbraw/zinc/28/39/37/459283937.db2.gz RYBDPCFHGCNVBY-HZPDHXFCSA-N 2 2 336.480 3.023 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)CCC2 ZINC000568511326 459300966 /nfs/dbraw/zinc/30/09/66/459300966.db2.gz UNMHZAARVUKUOV-APWZRJJASA-N 2 2 334.529 3.222 20 0 EGADLP CSc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)CCC2 ZINC000568511326 459300974 /nfs/dbraw/zinc/30/09/74/459300974.db2.gz UNMHZAARVUKUOV-APWZRJJASA-N 2 2 334.529 3.222 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082649 459310464 /nfs/dbraw/zinc/31/04/64/459310464.db2.gz IIBSBTKTPOGGFE-OAHLLOKOSA-N 2 2 343.818 3.424 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)cc1 ZINC000591082649 459310469 /nfs/dbraw/zinc/31/04/69/459310469.db2.gz IIBSBTKTPOGGFE-OAHLLOKOSA-N 2 2 343.818 3.424 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@@]3(C)CC[N@H+](Cc4ccccc4)C3)n21 ZINC000582126534 459313279 /nfs/dbraw/zinc/31/32/79/459313279.db2.gz ISIZRTBSOLGLQV-NRFANRHFSA-N 2 2 334.467 3.397 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)n21 ZINC000582126534 459313286 /nfs/dbraw/zinc/31/32/86/459313286.db2.gz ISIZRTBSOLGLQV-NRFANRHFSA-N 2 2 334.467 3.397 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000482534507 459313681 /nfs/dbraw/zinc/31/36/81/459313681.db2.gz QQQAHLAFRCHGMT-BVYCBKJFSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000482534507 459313686 /nfs/dbraw/zinc/31/36/86/459313686.db2.gz QQQAHLAFRCHGMT-BVYCBKJFSA-N 2 2 338.495 3.090 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)Nc2cc(C)[nH+]cc2C)[NH+](C)C)cc1 ZINC000534324707 459314191 /nfs/dbraw/zinc/31/41/91/459314191.db2.gz WYHIKNLQXPBMNZ-LJQANCHMSA-N 2 2 340.471 3.107 20 0 EGADLP COCCC[C@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482716026 459322541 /nfs/dbraw/zinc/32/25/41/459322541.db2.gz SWFXCLRXBRBWOU-KRWDZBQOSA-N 2 2 326.525 3.205 20 0 EGADLP COCCC[C@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482716026 459322542 /nfs/dbraw/zinc/32/25/42/459322542.db2.gz SWFXCLRXBRBWOU-KRWDZBQOSA-N 2 2 326.525 3.205 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1OC1CCCC1 ZINC000482951548 459332256 /nfs/dbraw/zinc/33/22/56/459332256.db2.gz RRLFEZHKQMFECF-CRAIPNDOSA-N 2 2 332.488 3.446 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1OC1CCCC1 ZINC000482951548 459332263 /nfs/dbraw/zinc/33/22/63/459332263.db2.gz RRLFEZHKQMFECF-CRAIPNDOSA-N 2 2 332.488 3.446 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)n2c1 ZINC000496821776 459337078 /nfs/dbraw/zinc/33/70/78/459337078.db2.gz SDSAJNHIMZQTEV-KBPBESRZSA-N 2 2 332.448 3.034 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000534756371 459350393 /nfs/dbraw/zinc/35/03/93/459350393.db2.gz YATLRUXEKOIOLS-MRXNPFEDSA-N 2 2 347.466 3.084 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000534756371 459350399 /nfs/dbraw/zinc/35/03/99/459350399.db2.gz YATLRUXEKOIOLS-MRXNPFEDSA-N 2 2 347.466 3.084 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000560558153 459374273 /nfs/dbraw/zinc/37/42/73/459374273.db2.gz OHNCKSXCYYMQSN-UJQREPKNSA-N 2 2 328.500 3.410 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000560558153 459374279 /nfs/dbraw/zinc/37/42/79/459374279.db2.gz OHNCKSXCYYMQSN-UJQREPKNSA-N 2 2 328.500 3.410 20 0 EGADLP CC(C)OC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000560713514 459390142 /nfs/dbraw/zinc/39/01/42/459390142.db2.gz FVLYHSJFEOWFSU-NRFANRHFSA-N 2 2 346.515 3.298 20 0 EGADLP CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000560713514 459390148 /nfs/dbraw/zinc/39/01/48/459390148.db2.gz FVLYHSJFEOWFSU-NRFANRHFSA-N 2 2 346.515 3.298 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569135815 459402665 /nfs/dbraw/zinc/40/26/65/459402665.db2.gz KJOYLIZHGYRLMR-GXTWGEPZSA-N 2 2 342.424 3.407 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569135815 459402671 /nfs/dbraw/zinc/40/26/71/459402671.db2.gz KJOYLIZHGYRLMR-GXTWGEPZSA-N 2 2 342.424 3.407 20 0 EGADLP CC(C)(C)OC(=O)NC1CC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000497052216 459420756 /nfs/dbraw/zinc/42/07/56/459420756.db2.gz FUSDDRCEIOBGTQ-UHFFFAOYSA-N 2 2 344.459 3.141 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464647 459456104 /nfs/dbraw/zinc/45/61/04/459456104.db2.gz SGFQRTNBCRSSPE-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000569464647 459456108 /nfs/dbraw/zinc/45/61/08/459456108.db2.gz SGFQRTNBCRSSPE-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000569464647 459456116 /nfs/dbraw/zinc/45/61/16/459456116.db2.gz SGFQRTNBCRSSPE-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000569464647 459456125 /nfs/dbraw/zinc/45/61/25/459456125.db2.gz SGFQRTNBCRSSPE-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP C[C@@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000497147288 459458912 /nfs/dbraw/zinc/45/89/12/459458912.db2.gz MRJSCYKVDWNBLN-HZPDHXFCSA-N 2 2 348.491 3.071 20 0 EGADLP C[C@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000497147292 459459868 /nfs/dbraw/zinc/45/98/68/459459868.db2.gz MRJSCYKVDWNBLN-JKSUJKDBSA-N 2 2 348.491 3.071 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000569768546 459505577 /nfs/dbraw/zinc/50/55/77/459505577.db2.gz IJDZYGRSVKOJEX-YUXAGFNASA-N 2 2 338.495 3.090 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000569768546 459505581 /nfs/dbraw/zinc/50/55/81/459505581.db2.gz IJDZYGRSVKOJEX-YUXAGFNASA-N 2 2 338.495 3.090 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000486673800 459514073 /nfs/dbraw/zinc/51/40/73/459514073.db2.gz ODQITRIXUMCREX-QAPCUYQASA-N 2 2 340.471 3.486 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000486673800 459514082 /nfs/dbraw/zinc/51/40/82/459514082.db2.gz ODQITRIXUMCREX-QAPCUYQASA-N 2 2 340.471 3.486 20 0 EGADLP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)c2[nH+]ccn21 ZINC000583307871 459517874 /nfs/dbraw/zinc/51/78/74/459517874.db2.gz BHBFRIOKDFMEFS-RDJZCZTQSA-N 2 2 347.507 3.042 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+](C)C3CC([NH3+])C3)cs2)cc1OC ZINC000572842689 459584337 /nfs/dbraw/zinc/58/43/37/459584337.db2.gz SGCBLRUGPNSNJO-UHFFFAOYSA-N 2 2 347.484 3.139 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+](C)C3CC([NH3+])C3)cs2)cc1OC ZINC000572842689 459584339 /nfs/dbraw/zinc/58/43/39/459584339.db2.gz SGCBLRUGPNSNJO-UHFFFAOYSA-N 2 2 347.484 3.139 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[NH+]1CC(C)C1 ZINC000572853934 459586860 /nfs/dbraw/zinc/58/68/60/459586860.db2.gz SUFVTVMCLIDRGJ-HNNXBMFYSA-N 2 2 338.455 3.165 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000583740305 459588539 /nfs/dbraw/zinc/58/85/39/459588539.db2.gz FALLACZXOYFNKH-LJQANCHMSA-N 2 2 346.496 3.003 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000562579987 459592703 /nfs/dbraw/zinc/59/27/03/459592703.db2.gz JWLDXQDWIQLVMC-CRAIPNDOSA-N 2 2 330.472 3.343 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000562579987 459592708 /nfs/dbraw/zinc/59/27/08/459592708.db2.gz JWLDXQDWIQLVMC-CRAIPNDOSA-N 2 2 330.472 3.343 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000499913568 459658398 /nfs/dbraw/zinc/65/83/98/459658398.db2.gz OMFJUYZKWCHGHQ-HXUWFJFHSA-N 2 2 349.494 3.057 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000499913568 459658402 /nfs/dbraw/zinc/65/84/02/459658402.db2.gz OMFJUYZKWCHGHQ-HXUWFJFHSA-N 2 2 349.494 3.057 20 0 EGADLP Cc1cc(C)cc(OCCC[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000584121291 459660461 /nfs/dbraw/zinc/66/04/61/459660461.db2.gz GZZCQVZQNTUUBA-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP Cc1cc(C)cc(OCCC[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000584121291 459660469 /nfs/dbraw/zinc/66/04/69/459660469.db2.gz GZZCQVZQNTUUBA-LJQANCHMSA-N 2 2 346.515 3.257 20 0 EGADLP C[C@H]1CCC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543620097 459676467 /nfs/dbraw/zinc/67/64/67/459676467.db2.gz VGHFEKYWOZBYKF-GOEBONIOSA-N 2 2 328.460 3.038 20 0 EGADLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000527649002 459684036 /nfs/dbraw/zinc/68/40/36/459684036.db2.gz MHQWBCVXPSSCOQ-LBPRGKRZSA-N 2 2 327.350 3.336 20 0 EGADLP Cc1c2cc(Cl)ccc2sc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000563003228 459692051 /nfs/dbraw/zinc/69/20/51/459692051.db2.gz QAMLSBZKSDSECF-AWEZNQCLSA-N 2 2 338.904 3.408 20 0 EGADLP Cc1c2cc(Cl)ccc2sc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000563003228 459692055 /nfs/dbraw/zinc/69/20/55/459692055.db2.gz QAMLSBZKSDSECF-AWEZNQCLSA-N 2 2 338.904 3.408 20 0 EGADLP Cc1ccc2cc[nH+]c(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC000563037428 459702013 /nfs/dbraw/zinc/70/20/13/459702013.db2.gz BQSUTAIUGGNJLL-UHFFFAOYSA-N 2 2 334.423 3.387 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000573665628 459713422 /nfs/dbraw/zinc/71/34/22/459713422.db2.gz UCGROIDQDNTJQP-HXUWFJFHSA-N 2 2 332.451 3.362 20 0 EGADLP O[C@@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000573774945 459731805 /nfs/dbraw/zinc/73/18/05/459731805.db2.gz QZBGJHRWNQRPLX-NHCUHLMSSA-N 2 2 342.458 3.156 20 0 EGADLP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000584629057 459776389 /nfs/dbraw/zinc/77/63/89/459776389.db2.gz ZBQIJCWJRHDZOU-LMDPOFIKSA-N 2 2 346.519 3.193 20 0 EGADLP COC(=O)c1oc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1C ZINC000597052271 459826087 /nfs/dbraw/zinc/82/60/87/459826087.db2.gz ROSNFNUYNDZACK-UHFFFAOYSA-N 2 2 334.460 3.119 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CCCC1 ZINC000566242391 459827735 /nfs/dbraw/zinc/82/77/35/459827735.db2.gz ORZSXCWGLATWNK-UHFFFAOYSA-N 2 2 348.878 3.330 20 0 EGADLP [NH3+]CCC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CCCC1 ZINC000566242391 459827739 /nfs/dbraw/zinc/82/77/39/459827739.db2.gz ORZSXCWGLATWNK-UHFFFAOYSA-N 2 2 348.878 3.330 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000566298907 459837500 /nfs/dbraw/zinc/83/75/00/459837500.db2.gz JXJJYDCEDUAQRP-ZWOKBUDYSA-N 2 2 327.472 3.360 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000566298907 459837506 /nfs/dbraw/zinc/83/75/06/459837506.db2.gz JXJJYDCEDUAQRP-ZWOKBUDYSA-N 2 2 327.472 3.360 20 0 EGADLP CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000597149665 459852034 /nfs/dbraw/zinc/85/20/34/459852034.db2.gz GXQVSQWXQVYSDE-OAHLLOKOSA-N 2 2 333.476 3.163 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000575745490 459996121 /nfs/dbraw/zinc/99/61/21/459996121.db2.gz OWJINOSBUWOMBS-UHFFFAOYSA-N 2 2 342.487 3.150 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618661192 460111618 /nfs/dbraw/zinc/11/16/18/460111618.db2.gz UEKLQAYAQDERLO-QGZVFWFLSA-N 2 2 338.455 3.009 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000618661192 460111626 /nfs/dbraw/zinc/11/16/26/460111626.db2.gz UEKLQAYAQDERLO-QGZVFWFLSA-N 2 2 338.455 3.009 20 0 EGADLP CCCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914598 460114298 /nfs/dbraw/zinc/11/42/98/460114298.db2.gz BOWHRKZIUDARIX-OALUTQOASA-N 2 2 337.552 3.076 20 0 EGADLP CCCC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914598 460114305 /nfs/dbraw/zinc/11/43/05/460114305.db2.gz BOWHRKZIUDARIX-OALUTQOASA-N 2 2 337.552 3.076 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000599026167 460130852 /nfs/dbraw/zinc/13/08/52/460130852.db2.gz BWNFJZCQVCPXQV-UUKMXZOPSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000599026167 460130859 /nfs/dbraw/zinc/13/08/59/460130859.db2.gz BWNFJZCQVCPXQV-UUKMXZOPSA-N 2 2 344.499 3.363 20 0 EGADLP CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000602939802 460193121 /nfs/dbraw/zinc/19/31/21/460193121.db2.gz FTDWEDLAQZRFQV-KRWDZBQOSA-N 2 2 339.439 3.477 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000576741950 460203053 /nfs/dbraw/zinc/20/30/53/460203053.db2.gz OUKSZSOIJCYGET-NRFANRHFSA-N 2 2 340.511 3.480 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000576741950 460203057 /nfs/dbraw/zinc/20/30/57/460203057.db2.gz OUKSZSOIJCYGET-NRFANRHFSA-N 2 2 340.511 3.480 20 0 EGADLP c1ccc(CSCCC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000599472526 460259678 /nfs/dbraw/zinc/25/96/78/460259678.db2.gz IGNSNROGNOEPPL-UHFFFAOYSA-N 2 2 334.529 3.107 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000631447920 460383953 /nfs/dbraw/zinc/38/39/53/460383953.db2.gz GJKOWFMNTMRGOR-UHFFFAOYSA-N 2 2 343.519 3.312 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000631447920 460383962 /nfs/dbraw/zinc/38/39/62/460383962.db2.gz GJKOWFMNTMRGOR-UHFFFAOYSA-N 2 2 343.519 3.312 20 0 EGADLP O=C1C[C@]2(CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)Oc2ccccc21 ZINC000628424162 460409600 /nfs/dbraw/zinc/40/96/00/460409600.db2.gz AAZPCEHMEFFSPG-NRFANRHFSA-N 2 2 347.418 3.334 20 0 EGADLP O=C1C[C@]2(CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)Oc2ccccc21 ZINC000628424162 460409606 /nfs/dbraw/zinc/40/96/06/460409606.db2.gz AAZPCEHMEFFSPG-NRFANRHFSA-N 2 2 347.418 3.334 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000628476234 460430576 /nfs/dbraw/zinc/43/05/76/460430576.db2.gz OBKQCOQJDALRDV-UHFFFAOYSA-N 2 2 339.483 3.312 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000634732406 460498494 /nfs/dbraw/zinc/49/84/94/460498494.db2.gz FVQYWOBLAACQJQ-FQEVSTJZSA-N 3 2 347.522 3.200 20 0 EGADLP Fc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1OCC(F)(F)F ZINC000629384700 460745493 /nfs/dbraw/zinc/74/54/93/460745493.db2.gz DFZGYTCDNUQNOV-AWEZNQCLSA-N 2 2 332.341 3.141 20 0 EGADLP c1cn(-c2cc(Nc3ccc(CC[NH+]4CCCCC4)cc3)ncn2)c[nH+]1 ZINC000607143963 460796575 /nfs/dbraw/zinc/79/65/75/460796575.db2.gz VHQCZWATIYOJFK-UHFFFAOYSA-N 2 2 348.454 3.434 20 0 EGADLP CC[N@H+](CC(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607153345 460799530 /nfs/dbraw/zinc/79/95/30/460799530.db2.gz SGHLVOBHGZJJCW-UHFFFAOYSA-N 2 2 326.435 3.464 20 0 EGADLP CC[N@@H+](CC(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607153345 460799534 /nfs/dbraw/zinc/79/95/34/460799534.db2.gz SGHLVOBHGZJJCW-UHFFFAOYSA-N 2 2 326.435 3.464 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629550447 460804531 /nfs/dbraw/zinc/80/45/31/460804531.db2.gz MOBRKIVHJASINU-OXQOHEQNSA-N 2 2 326.484 3.474 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1SC ZINC000629565395 460810288 /nfs/dbraw/zinc/81/02/88/460810288.db2.gz WSUYGOKUUWFBGS-CHWSQXEVSA-N 2 2 348.434 3.376 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1SC ZINC000629565395 460810298 /nfs/dbraw/zinc/81/02/98/460810298.db2.gz WSUYGOKUUWFBGS-CHWSQXEVSA-N 2 2 348.434 3.376 20 0 EGADLP CN(C(=O)CCCC1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477217 460818314 /nfs/dbraw/zinc/81/83/14/460818314.db2.gz GSGWFOJCCPYPHO-FQEVSTJZSA-N 2 2 349.563 3.364 20 0 EGADLP CN(C(=O)CCCC1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477217 460818316 /nfs/dbraw/zinc/81/83/16/460818316.db2.gz GSGWFOJCCPYPHO-FQEVSTJZSA-N 2 2 349.563 3.364 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccc4[nH]ccc43)c2cc1C ZINC000607287396 460822396 /nfs/dbraw/zinc/82/23/96/460822396.db2.gz QKMNZEQVKQTCCW-QGZVFWFLSA-N 2 2 348.450 3.285 20 0 EGADLP CC1(C)Cc2cccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)c2O1 ZINC000629657317 460850557 /nfs/dbraw/zinc/85/05/57/460850557.db2.gz WMUSEFCXSHRFDJ-LSDHHAIUSA-N 2 2 342.405 3.359 20 0 EGADLP CC1(C)Cc2cccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)c2O1 ZINC000629657317 460850562 /nfs/dbraw/zinc/85/05/62/460850562.db2.gz WMUSEFCXSHRFDJ-LSDHHAIUSA-N 2 2 342.405 3.359 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624094341 460855113 /nfs/dbraw/zinc/85/51/13/460855113.db2.gz CDCHVFSBFUGLQI-PBHICJAKSA-N 2 2 334.414 3.252 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702153 460875158 /nfs/dbraw/zinc/87/51/58/460875158.db2.gz IPYZCTUYNMXQPW-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cccc([C@H]3[NH2+]CCNC3=O)c2)c1 ZINC000629702153 460875161 /nfs/dbraw/zinc/87/51/61/460875161.db2.gz IPYZCTUYNMXQPW-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624227036 460920318 /nfs/dbraw/zinc/92/03/18/460920318.db2.gz DPIXCTPEOYHZEF-UYAOXDASSA-N 2 2 346.515 3.009 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624227036 460920324 /nfs/dbraw/zinc/92/03/24/460920324.db2.gz DPIXCTPEOYHZEF-UYAOXDASSA-N 2 2 346.515 3.009 20 0 EGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624332847 460964485 /nfs/dbraw/zinc/96/44/85/460964485.db2.gz ASDQVHBADZTYLN-APWZRJJASA-N 2 2 340.467 3.079 20 0 EGADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624332847 460964488 /nfs/dbraw/zinc/96/44/88/460964488.db2.gz ASDQVHBADZTYLN-APWZRJJASA-N 2 2 340.467 3.079 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C[N@H+](C)C3CCC3)ccc2n1C1CC1 ZINC000629990911 460989700 /nfs/dbraw/zinc/98/97/00/460989700.db2.gz JPFMQEISVMNTEK-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C[N@@H+](C)C3CCC3)ccc2n1C1CC1 ZINC000629990911 460989704 /nfs/dbraw/zinc/98/97/04/460989704.db2.gz JPFMQEISVMNTEK-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP Cc1ccc([C@H](C)C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000628186541 461037113 /nfs/dbraw/zinc/03/71/13/461037113.db2.gz NRAIXJWNNLKEKQ-DYXWJJEUSA-N 2 2 329.532 3.056 20 0 EGADLP Cc1ccc([C@H](C)C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000628186541 461037115 /nfs/dbraw/zinc/03/71/15/461037115.db2.gz NRAIXJWNNLKEKQ-DYXWJJEUSA-N 2 2 329.532 3.056 20 0 EGADLP Cc1cc(C(F)(F)F)cc(N2CCC(C)([NH+]3CCOCC3)CC2)[nH+]1 ZINC000624605164 461065931 /nfs/dbraw/zinc/06/59/31/461065931.db2.gz BYOQWVGXVAFDFC-UHFFFAOYSA-N 2 2 343.393 3.100 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C)c(Br)cn1 ZINC000628279661 461069969 /nfs/dbraw/zinc/06/99/69/461069969.db2.gz SXUILCDGIOVGKO-UHFFFAOYSA-N 2 2 340.309 3.460 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C)c(Br)cn1 ZINC000628279661 461069962 /nfs/dbraw/zinc/06/99/62/461069962.db2.gz SXUILCDGIOVGKO-UHFFFAOYSA-N 2 2 340.309 3.460 20 0 EGADLP C[C@H](c1nc2ccccc2s1)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649476389 461113529 /nfs/dbraw/zinc/11/35/29/461113529.db2.gz DTQXQHJAJYNGCL-HZPDHXFCSA-N 2 2 344.528 3.069 20 0 EGADLP C[C@H](c1nc2ccccc2s1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649476389 461113533 /nfs/dbraw/zinc/11/35/33/461113533.db2.gz DTQXQHJAJYNGCL-HZPDHXFCSA-N 2 2 344.528 3.069 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C)C[NH2+]C)c1 ZINC000659004486 461132071 /nfs/dbraw/zinc/13/20/71/461132071.db2.gz KCQNSAMLAJLQAB-CQSZACIVSA-N 2 2 329.448 3.080 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cc2[nH+]1 ZINC000668151953 461137110 /nfs/dbraw/zinc/13/71/10/461137110.db2.gz UEWKHXPHRMUGBH-OAHLLOKOSA-N 2 2 343.475 3.276 20 0 EGADLP Cc1cn2ccc(NC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cc2[nH+]1 ZINC000668151953 461137121 /nfs/dbraw/zinc/13/71/21/461137121.db2.gz UEWKHXPHRMUGBH-OAHLLOKOSA-N 2 2 343.475 3.276 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1CC[NH3+] ZINC000652356162 461149754 /nfs/dbraw/zinc/14/97/54/461149754.db2.gz UVRHEQKEQSTNPW-GUYCJALGSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)[C@H]1CC[NH3+] ZINC000652356162 461149761 /nfs/dbraw/zinc/14/97/61/461149761.db2.gz UVRHEQKEQSTNPW-GUYCJALGSA-N 2 2 334.414 3.100 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000668164974 461149770 /nfs/dbraw/zinc/14/97/70/461149770.db2.gz IBWZXHJRVWHIIA-UHFFFAOYSA-N 2 2 327.476 3.186 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173337 461285620 /nfs/dbraw/zinc/28/56/20/461285620.db2.gz WGIZKNQLSIWGCV-DOMZBBRYSA-N 2 2 335.835 3.334 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173337 461285628 /nfs/dbraw/zinc/28/56/28/461285628.db2.gz WGIZKNQLSIWGCV-DOMZBBRYSA-N 2 2 335.835 3.334 20 0 EGADLP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000662691288 461349197 /nfs/dbraw/zinc/34/91/97/461349197.db2.gz GCVSGSLOQFSXPK-SFHVURJKSA-N 2 2 338.455 3.213 20 0 EGADLP CC(C)CC[C@@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000638304205 461355883 /nfs/dbraw/zinc/35/58/83/461355883.db2.gz YNRRHNMLTUTIHM-QGZVFWFLSA-N 2 2 338.455 3.304 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655689025 461363237 /nfs/dbraw/zinc/36/32/37/461363237.db2.gz CZHHBDQWRDHJDI-TZIWHRDSSA-N 2 2 337.467 3.014 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000655694377 461367649 /nfs/dbraw/zinc/36/76/49/461367649.db2.gz GCBSVXITPCIFFB-GOSISDBHSA-N 2 2 328.435 3.111 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])CCC(C)C)ccc2n1C1CC1 ZINC000638324281 461368144 /nfs/dbraw/zinc/36/81/44/461368144.db2.gz HGMGPMWHHGMTBP-INIZCTEOSA-N 2 2 342.487 3.313 20 0 EGADLP c1ccc2c(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)nsc2c1 ZINC000641792198 461374601 /nfs/dbraw/zinc/37/46/01/461374601.db2.gz QITZQAPGVZKDGY-OAHLLOKOSA-N 2 2 331.485 3.029 20 0 EGADLP NC(=O)[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000638343338 461376460 /nfs/dbraw/zinc/37/64/60/461376460.db2.gz LYHZFGXDIQLDGM-HLAWJBBLSA-N 2 2 349.478 3.171 20 0 EGADLP NC(=O)[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000638343338 461376466 /nfs/dbraw/zinc/37/64/66/461376466.db2.gz LYHZFGXDIQLDGM-HLAWJBBLSA-N 2 2 349.478 3.171 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000655715429 461384783 /nfs/dbraw/zinc/38/47/83/461384783.db2.gz KBBAXZZWNVHVEY-UHFFFAOYSA-N 2 2 327.407 3.086 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000655715258 461385107 /nfs/dbraw/zinc/38/51/07/461385107.db2.gz IDBRJBMPNYFVQB-VYDXJSESSA-N 2 2 330.501 3.452 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000655715258 461385111 /nfs/dbraw/zinc/38/51/11/461385111.db2.gz IDBRJBMPNYFVQB-VYDXJSESSA-N 2 2 330.501 3.452 20 0 EGADLP c1nc(-c2ccccc2)sc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719708 461389727 /nfs/dbraw/zinc/38/97/27/461389727.db2.gz VYPYFTIUCAJRRK-KRWDZBQOSA-N 2 2 343.496 3.153 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871407 461393356 /nfs/dbraw/zinc/39/33/56/461393356.db2.gz IEMIBKKQVQCBRR-UHFFFAOYSA-N 2 2 344.484 3.169 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871407 461393362 /nfs/dbraw/zinc/39/33/62/461393362.db2.gz IEMIBKKQVQCBRR-UHFFFAOYSA-N 2 2 344.484 3.169 20 0 EGADLP CCc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655725689 461395558 /nfs/dbraw/zinc/39/55/58/461395558.db2.gz XGKLOISNBUDGOT-QUCCMNQESA-N 2 2 344.499 3.306 20 0 EGADLP OCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000638384244 461400441 /nfs/dbraw/zinc/40/04/41/461400441.db2.gz BNSLUKLTAGVWHS-UHFFFAOYSA-N 2 2 328.431 3.072 20 0 EGADLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655759706 461423839 /nfs/dbraw/zinc/42/38/39/461423839.db2.gz FZLFIVQKVVRBDI-PKOBYXMFSA-N 2 2 330.472 3.052 20 0 EGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655775304 461438557 /nfs/dbraw/zinc/43/85/57/461438557.db2.gz VRJJKJGXYOBBBJ-SJLPKXTDSA-N 2 2 332.488 3.298 20 0 EGADLP CO[C@@H](C[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000638455696 461438748 /nfs/dbraw/zinc/43/87/48/461438748.db2.gz YAWKMDGIXYRLRV-RTWAWAEBSA-N 2 2 346.515 3.163 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848971 461496279 /nfs/dbraw/zinc/49/62/79/461496279.db2.gz MZIIRSGKZZKOHF-CDHQVMDDSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848971 461496283 /nfs/dbraw/zinc/49/62/83/461496283.db2.gz MZIIRSGKZZKOHF-CDHQVMDDSA-N 2 2 326.488 3.491 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849358 461496516 /nfs/dbraw/zinc/49/65/16/461496516.db2.gz UMUQUOJTCDCMOS-GDIGMMSISA-N 2 2 345.487 3.321 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849358 461496526 /nfs/dbraw/zinc/49/65/26/461496526.db2.gz UMUQUOJTCDCMOS-GDIGMMSISA-N 2 2 345.487 3.321 20 0 EGADLP Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653097232 461499557 /nfs/dbraw/zinc/49/95/57/461499557.db2.gz HJDDMPXAEQZWSH-INIZCTEOSA-N 2 2 327.428 3.005 20 0 EGADLP c1cc2c(cc1C[NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)OCCCCO2 ZINC000655859052 461506468 /nfs/dbraw/zinc/50/64/68/461506468.db2.gz DFHQYQYTUYYMSZ-ROUUACIJSA-N 2 2 330.472 3.345 20 0 EGADLP c1cc2c(cc1C[NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)OCCCCO2 ZINC000655859052 461506479 /nfs/dbraw/zinc/50/64/79/461506479.db2.gz DFHQYQYTUYYMSZ-ROUUACIJSA-N 2 2 330.472 3.345 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000655857521 461506523 /nfs/dbraw/zinc/50/65/23/461506523.db2.gz VLIFCDBFESQHNH-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000655857521 461506533 /nfs/dbraw/zinc/50/65/33/461506533.db2.gz VLIFCDBFESQHNH-CABCVRRESA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000655857522 461507263 /nfs/dbraw/zinc/50/72/63/461507263.db2.gz VLIFCDBFESQHNH-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000655857522 461507268 /nfs/dbraw/zinc/50/72/68/461507268.db2.gz VLIFCDBFESQHNH-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(F)cc1Br ZINC000631067992 461519645 /nfs/dbraw/zinc/51/96/45/461519645.db2.gz DSUQCTJLDLXQCQ-LLVKDONJSA-N 2 2 345.256 3.028 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(F)cc1Br ZINC000631067992 461519657 /nfs/dbraw/zinc/51/96/57/461519657.db2.gz DSUQCTJLDLXQCQ-LLVKDONJSA-N 2 2 345.256 3.028 20 0 EGADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000647166339 461535436 /nfs/dbraw/zinc/53/54/36/461535436.db2.gz JNUDECDAIYFQOB-UHFFFAOYSA-N 2 2 326.488 3.293 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000659999924 461540141 /nfs/dbraw/zinc/54/01/41/461540141.db2.gz ZSCSDUOWPULWOG-KRWDZBQOSA-N 2 2 342.468 3.023 20 0 EGADLP COc1ccc([C@H](CNc2cc(CO)cc(C)[nH+]2)[NH+]2CCCC2)cc1 ZINC000663321445 461558297 /nfs/dbraw/zinc/55/82/97/461558297.db2.gz CMADXCCYVWTURK-IBGZPJMESA-N 2 2 341.455 3.140 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4CC[NH2+][C@H]4C3)CCC2)c1 ZINC000643065579 461601635 /nfs/dbraw/zinc/60/16/35/461601635.db2.gz CTZAXAJGORJDJX-QUCCMNQESA-N 2 2 344.499 3.066 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4CC[NH2+][C@H]4C3)CCC2)c1 ZINC000643065579 461601647 /nfs/dbraw/zinc/60/16/47/461601647.db2.gz CTZAXAJGORJDJX-QUCCMNQESA-N 2 2 344.499 3.066 20 0 EGADLP c1ccc(C(OCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc2)cc1 ZINC000643069873 461602819 /nfs/dbraw/zinc/60/28/19/461602819.db2.gz YSELERLIZILBEZ-WIYYLYMNSA-N 2 2 336.479 3.476 20 0 EGADLP c1ccc(C(OCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c2ccccc2)cc1 ZINC000643069873 461602824 /nfs/dbraw/zinc/60/28/24/461602824.db2.gz YSELERLIZILBEZ-WIYYLYMNSA-N 2 2 336.479 3.476 20 0 EGADLP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660158981 461613205 /nfs/dbraw/zinc/61/32/05/461613205.db2.gz YQOXBQOLZQQUJY-CBQOVEMMSA-N 2 2 341.543 3.064 20 0 EGADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660158981 461613209 /nfs/dbraw/zinc/61/32/09/461613209.db2.gz YQOXBQOLZQQUJY-CBQOVEMMSA-N 2 2 341.543 3.064 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000647305311 461625715 /nfs/dbraw/zinc/62/57/15/461625715.db2.gz FIJGUENHQAHRAQ-QUCCMNQESA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000647305311 461625722 /nfs/dbraw/zinc/62/57/22/461625722.db2.gz FIJGUENHQAHRAQ-QUCCMNQESA-N 2 2 334.504 3.219 20 0 EGADLP CO[C@H](C[NH2+]CCCc1[nH+]c2ccccc2n1C)Cc1ccccc1 ZINC000638871502 461631747 /nfs/dbraw/zinc/63/17/47/461631747.db2.gz LWJAEADNBXGZMU-SFHVURJKSA-N 2 2 337.467 3.353 20 0 EGADLP CC[N@H+](CCC(F)(F)F)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643249952 461649069 /nfs/dbraw/zinc/64/90/69/461649069.db2.gz HHBOKHIBLTWCQZ-UHFFFAOYSA-N 2 2 330.394 3.293 20 0 EGADLP CC[N@@H+](CCC(F)(F)F)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643249952 461649072 /nfs/dbraw/zinc/64/90/72/461649072.db2.gz HHBOKHIBLTWCQZ-UHFFFAOYSA-N 2 2 330.394 3.293 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000656250436 461672716 /nfs/dbraw/zinc/67/27/16/461672716.db2.gz REPVINDTQUIUGS-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000656250436 461672726 /nfs/dbraw/zinc/67/27/26/461672726.db2.gz REPVINDTQUIUGS-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000656250436 461672735 /nfs/dbraw/zinc/67/27/35/461672735.db2.gz REPVINDTQUIUGS-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000656250436 461672741 /nfs/dbraw/zinc/67/27/41/461672741.db2.gz REPVINDTQUIUGS-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP CCOc1cc(C[NH2+][C@H](C)C[NH2+]C)ccc1OCc1ccccc1 ZINC000663511920 461681573 /nfs/dbraw/zinc/68/15/73/461681573.db2.gz ZGCVRHAVYNVRMM-MRXNPFEDSA-N 2 2 328.456 3.362 20 0 EGADLP CCC(=O)N1CCC([NH2+]c2ccc(-n3c[nH+]c(C)c3C)cc2)CC1 ZINC000643354116 461703071 /nfs/dbraw/zinc/70/30/71/461703071.db2.gz QLFUPKPJXOLDET-UHFFFAOYSA-N 2 2 326.444 3.302 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643377330 461713222 /nfs/dbraw/zinc/71/32/22/461713222.db2.gz CSQBXSWCPDQTQV-WMLDXEAASA-N 2 2 344.421 3.157 20 0 EGADLP Clc1ccccc1Cn1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647483039 461730445 /nfs/dbraw/zinc/73/04/45/461730445.db2.gz TYCHKXATVVGZOZ-UHFFFAOYSA-N 2 2 344.890 3.301 20 0 EGADLP Clc1ccccc1Cn1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647483039 461730453 /nfs/dbraw/zinc/73/04/53/461730453.db2.gz TYCHKXATVVGZOZ-UHFFFAOYSA-N 2 2 344.890 3.301 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496802 461733968 /nfs/dbraw/zinc/73/39/68/461733968.db2.gz UFAJGJTWCWPOJX-KSSFIOAISA-N 2 2 332.879 3.144 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)[C@H]1C[NH3+] ZINC000647496802 461733976 /nfs/dbraw/zinc/73/39/76/461733976.db2.gz UFAJGJTWCWPOJX-KSSFIOAISA-N 2 2 332.879 3.144 20 0 EGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])CCO2 ZINC000643482503 461742540 /nfs/dbraw/zinc/74/25/40/461742540.db2.gz UHLLSDGNPXSAHN-CDHQVMDDSA-N 2 2 340.467 3.457 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653592320 461745881 /nfs/dbraw/zinc/74/58/81/461745881.db2.gz UPKSGSAGNZCCNR-NWDGAFQWSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653592320 461745892 /nfs/dbraw/zinc/74/58/92/461745892.db2.gz UPKSGSAGNZCCNR-NWDGAFQWSA-N 2 2 329.429 3.082 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643515247 461751319 /nfs/dbraw/zinc/75/13/19/461751319.db2.gz QSDHLJDGUIOXMO-HZPDHXFCSA-N 2 2 341.293 3.258 20 0 EGADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCc3noc4ccccc43)C1)CCCC2 ZINC000653626852 461768473 /nfs/dbraw/zinc/76/84/73/461768473.db2.gz IWWRSPFATRKAQM-OAHLLOKOSA-N 2 2 336.439 3.393 20 0 EGADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+](CCc3noc4ccccc43)C1)CCCC2 ZINC000653626852 461768481 /nfs/dbraw/zinc/76/84/81/461768481.db2.gz IWWRSPFATRKAQM-OAHLLOKOSA-N 2 2 336.439 3.393 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N(CC[NH+](C)C)Cc1ccccc1F ZINC000639168720 461776647 /nfs/dbraw/zinc/77/66/47/461776647.db2.gz DBKADJQUBMPZSL-SFHVURJKSA-N 2 2 330.451 3.074 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000666774134 461797245 /nfs/dbraw/zinc/79/72/45/461797245.db2.gz CAYHEORXDLYIJB-UKRRQHHQSA-N 2 2 331.485 3.296 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000663826946 461824936 /nfs/dbraw/zinc/82/49/36/461824936.db2.gz WDDILYJQGQURQM-KBPBESRZSA-N 2 2 343.406 3.192 20 0 EGADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1[nH+]ccc2[nH]ccc21 ZINC000663826946 461824945 /nfs/dbraw/zinc/82/49/45/461824945.db2.gz WDDILYJQGQURQM-KBPBESRZSA-N 2 2 343.406 3.192 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c(=O)c1 ZINC000663831248 461827982 /nfs/dbraw/zinc/82/79/82/461827982.db2.gz RTQXLWIRHJGIKX-KRWDZBQOSA-N 2 2 344.499 3.184 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c(=O)c1 ZINC000663831248 461827989 /nfs/dbraw/zinc/82/79/89/461827989.db2.gz RTQXLWIRHJGIKX-KRWDZBQOSA-N 2 2 344.499 3.184 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831656 461828513 /nfs/dbraw/zinc/82/85/13/461828513.db2.gz UHJBFIOZUVGGGO-YJBOKZPZSA-N 2 2 341.455 3.155 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c(=O)c1 ZINC000663831656 461828515 /nfs/dbraw/zinc/82/85/15/461828515.db2.gz UHJBFIOZUVGGGO-YJBOKZPZSA-N 2 2 341.455 3.155 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691723 461844439 /nfs/dbraw/zinc/84/44/39/461844439.db2.gz FMOSEBBVYDIUET-QWRGUYRKSA-N 2 2 337.266 3.484 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691723 461844442 /nfs/dbraw/zinc/84/44/42/461844442.db2.gz FMOSEBBVYDIUET-QWRGUYRKSA-N 2 2 337.266 3.484 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000647814278 461847506 /nfs/dbraw/zinc/84/75/06/461847506.db2.gz GYXPMEXHLYWJMX-UHFFFAOYSA-N 2 2 335.879 3.112 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000647814278 461847516 /nfs/dbraw/zinc/84/75/16/461847516.db2.gz GYXPMEXHLYWJMX-UHFFFAOYSA-N 2 2 335.879 3.112 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557377 461851144 /nfs/dbraw/zinc/85/11/44/461851144.db2.gz LVVJRXXQJOYKNX-AEFFLSMTSA-N 2 2 343.471 3.226 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557377 461851148 /nfs/dbraw/zinc/85/11/48/461851148.db2.gz LVVJRXXQJOYKNX-AEFFLSMTSA-N 2 2 343.471 3.226 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C(C)(C)C ZINC000639331152 461864609 /nfs/dbraw/zinc/86/46/09/461864609.db2.gz QCSSXHRKVPUIFA-GOSISDBHSA-N 2 2 346.515 3.024 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C(C)(C)C ZINC000639331152 461864617 /nfs/dbraw/zinc/86/46/17/461864617.db2.gz QCSSXHRKVPUIFA-GOSISDBHSA-N 2 2 346.515 3.024 20 0 EGADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CC(C)(C)[NH3+] ZINC000656785254 461895747 /nfs/dbraw/zinc/89/57/47/461895747.db2.gz MMLWEGZMHUSESG-UHFFFAOYSA-N 2 2 349.482 3.163 20 0 EGADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CC(C)(C)[NH3+] ZINC000656785254 461895754 /nfs/dbraw/zinc/89/57/54/461895754.db2.gz MMLWEGZMHUSESG-UHFFFAOYSA-N 2 2 349.482 3.163 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647938928 461896014 /nfs/dbraw/zinc/89/60/14/461896014.db2.gz XDBOKXAWKPYUNS-RWSFTLGLSA-N 2 2 344.286 3.380 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000647938928 461896018 /nfs/dbraw/zinc/89/60/18/461896018.db2.gz XDBOKXAWKPYUNS-RWSFTLGLSA-N 2 2 344.286 3.380 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cn1 ZINC000656790565 461900739 /nfs/dbraw/zinc/90/07/39/461900739.db2.gz ZVOJORVKHOTFFH-WOJBJXKFSA-N 2 2 327.447 3.197 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c[nH+]1 ZINC000656790565 461900747 /nfs/dbraw/zinc/90/07/47/461900747.db2.gz ZVOJORVKHOTFFH-WOJBJXKFSA-N 3 2 327.447 3.197 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655146 461905739 /nfs/dbraw/zinc/90/57/39/461905739.db2.gz KOIODGXQJDNFEW-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660655146 461905745 /nfs/dbraw/zinc/90/57/45/461905745.db2.gz KOIODGXQJDNFEW-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660655146 461905752 /nfs/dbraw/zinc/90/57/52/461905752.db2.gz KOIODGXQJDNFEW-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660655146 461905756 /nfs/dbraw/zinc/90/57/56/461905756.db2.gz KOIODGXQJDNFEW-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977456 461919580 /nfs/dbraw/zinc/91/95/80/461919580.db2.gz BPIORNKZOOYQMP-IRXDYDNUSA-N 2 2 332.492 3.329 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977456 461919584 /nfs/dbraw/zinc/91/95/84/461919584.db2.gz BPIORNKZOOYQMP-IRXDYDNUSA-N 2 2 332.492 3.329 20 0 EGADLP Fc1cc([C@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]C2)ccc1Br ZINC000647990402 461927182 /nfs/dbraw/zinc/92/71/82/461927182.db2.gz XLBWGOGVLCASTF-XHDPSFHLSA-N 2 2 327.241 3.335 20 0 EGADLP Fc1cc([C@H]2CCC[N@H+]2C[C@H]2CC[NH2+]C2)ccc1Br ZINC000647990402 461927189 /nfs/dbraw/zinc/92/71/89/461927189.db2.gz XLBWGOGVLCASTF-XHDPSFHLSA-N 2 2 327.241 3.335 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000644423042 461952784 /nfs/dbraw/zinc/95/27/84/461952784.db2.gz MMWFYOZMPFZAFN-IWCQGFGOSA-N 2 2 342.405 3.085 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000644423042 461952788 /nfs/dbraw/zinc/95/27/88/461952788.db2.gz MMWFYOZMPFZAFN-IWCQGFGOSA-N 2 2 342.405 3.085 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518345 461966227 /nfs/dbraw/zinc/96/62/27/461966227.db2.gz FETQPVQPZKWONB-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)co2)c1 ZINC000639518345 461966232 /nfs/dbraw/zinc/96/62/32/461966232.db2.gz FETQPVQPZKWONB-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)co2)c1 ZINC000639518345 461966237 /nfs/dbraw/zinc/96/62/37/461966237.db2.gz FETQPVQPZKWONB-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)co2)c1 ZINC000639518345 461966242 /nfs/dbraw/zinc/96/62/42/461966242.db2.gz FETQPVQPZKWONB-QFBILLFUSA-N 2 2 341.455 3.266 20 0 EGADLP Cc1noc(C2CCC([NH2+]CCc3cn4cccc(C)c4[nH+]3)CC2)n1 ZINC000644536494 461975491 /nfs/dbraw/zinc/97/54/91/461975491.db2.gz CLIZHXXIUJEOIW-UHFFFAOYSA-N 2 2 339.443 3.193 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648166276 461995439 /nfs/dbraw/zinc/99/54/39/461995439.db2.gz FIVFCBCAJVLDFM-KRWDZBQOSA-N 2 2 348.878 3.038 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657312806 462038304 /nfs/dbraw/zinc/03/83/04/462038304.db2.gz MOQIEJSPLWHCAZ-CQSZACIVSA-N 2 2 329.444 3.478 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(C4CC4)CC3)c2cc1C ZINC000644719757 462050726 /nfs/dbraw/zinc/05/07/26/462050726.db2.gz GWACJJLCFOKXTJ-GOSISDBHSA-N 2 2 327.472 3.136 20 0 EGADLP Clc1ccc(C[N@@H+]2CCCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667492536 462110617 /nfs/dbraw/zinc/11/06/17/462110617.db2.gz MGMVIKIPAZSKFR-UHFFFAOYSA-N 2 2 344.890 3.191 20 0 EGADLP Clc1ccc(C[N@H+]2CCCN(Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667492536 462110619 /nfs/dbraw/zinc/11/06/19/462110619.db2.gz MGMVIKIPAZSKFR-UHFFFAOYSA-N 2 2 344.890 3.191 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422535 462113583 /nfs/dbraw/zinc/11/35/83/462113583.db2.gz WXSAZSUPQXDDSI-DYVFJYSZSA-N 2 2 336.842 3.293 20 0 EGADLP Cc1c[nH]c(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000657422535 462113587 /nfs/dbraw/zinc/11/35/87/462113587.db2.gz WXSAZSUPQXDDSI-DYVFJYSZSA-N 2 2 336.842 3.293 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450317 462123262 /nfs/dbraw/zinc/12/32/62/462123262.db2.gz AQTPFGNZKDYMCR-QZTJIDSGSA-N 2 2 338.536 3.347 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450317 462123268 /nfs/dbraw/zinc/12/32/68/462123268.db2.gz AQTPFGNZKDYMCR-QZTJIDSGSA-N 2 2 338.536 3.347 20 0 EGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1c[nH+]c2n1CCC2 ZINC000657439003 462124602 /nfs/dbraw/zinc/12/46/02/462124602.db2.gz YGCMGLZYCHHIEK-LJQANCHMSA-N 2 2 326.488 3.076 20 0 EGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1c[nH+]c2n1CCC2 ZINC000657439003 462124611 /nfs/dbraw/zinc/12/46/11/462124611.db2.gz YGCMGLZYCHHIEK-LJQANCHMSA-N 2 2 326.488 3.076 20 0 EGADLP CO[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CC1 ZINC000644932843 462134323 /nfs/dbraw/zinc/13/43/23/462134323.db2.gz PZDIQAJQIRMSAB-GOSISDBHSA-N 2 2 333.863 3.464 20 0 EGADLP CO[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CC1 ZINC000644932843 462134327 /nfs/dbraw/zinc/13/43/27/462134327.db2.gz PZDIQAJQIRMSAB-GOSISDBHSA-N 2 2 333.863 3.464 20 0 EGADLP CO[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CC1 ZINC000644932844 462134643 /nfs/dbraw/zinc/13/46/43/462134643.db2.gz PZDIQAJQIRMSAB-SFHVURJKSA-N 2 2 333.863 3.464 20 0 EGADLP CO[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C1CC1 ZINC000644932844 462134651 /nfs/dbraw/zinc/13/46/51/462134651.db2.gz PZDIQAJQIRMSAB-SFHVURJKSA-N 2 2 333.863 3.464 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)n1C ZINC000657464357 462139512 /nfs/dbraw/zinc/13/95/12/462139512.db2.gz MIWXJKDHDFZFLG-OAHLLOKOSA-N 2 2 328.243 3.249 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000657477587 462148632 /nfs/dbraw/zinc/14/86/32/462148632.db2.gz WTYDBCBQGOOYKI-UHFFFAOYSA-N 2 2 341.846 3.426 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)CCCO1 ZINC000648560120 462175768 /nfs/dbraw/zinc/17/57/68/462175768.db2.gz UQDIHHNHRLZWEE-ZDUSSCGKSA-N 2 2 337.851 3.072 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)CCCO1 ZINC000648560120 462175773 /nfs/dbraw/zinc/17/57/73/462175773.db2.gz UQDIHHNHRLZWEE-ZDUSSCGKSA-N 2 2 337.851 3.072 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620895 462177833 /nfs/dbraw/zinc/17/78/33/462177833.db2.gz UCHRQOQYRWXFGZ-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620895 462177835 /nfs/dbraw/zinc/17/78/35/462177835.db2.gz UCHRQOQYRWXFGZ-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620895 462177840 /nfs/dbraw/zinc/17/78/40/462177840.db2.gz UCHRQOQYRWXFGZ-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620895 462177841 /nfs/dbraw/zinc/17/78/41/462177841.db2.gz UCHRQOQYRWXFGZ-SFHVURJKSA-N 2 2 338.499 3.251 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664294 462197448 /nfs/dbraw/zinc/19/74/48/462197448.db2.gz HROQQEWNCCTXBY-WFASDCNBSA-N 2 2 340.309 3.457 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664294 462197451 /nfs/dbraw/zinc/19/74/51/462197451.db2.gz HROQQEWNCCTXBY-WFASDCNBSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664294 462197456 /nfs/dbraw/zinc/19/74/56/462197456.db2.gz HROQQEWNCCTXBY-WFASDCNBSA-N 2 2 340.309 3.457 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cncc(Br)c2C)C[C@@H]1C ZINC000667664294 462197461 /nfs/dbraw/zinc/19/74/61/462197461.db2.gz HROQQEWNCCTXBY-WFASDCNBSA-N 2 2 340.309 3.457 20 0 EGADLP CCc1nn(C)cc1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000648606639 462198242 /nfs/dbraw/zinc/19/82/42/462198242.db2.gz NOTKEJIASAJSNG-UHFFFAOYSA-N 2 2 329.835 3.111 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982814 462203140 /nfs/dbraw/zinc/20/31/40/462203140.db2.gz ISTFMISNTMZHJC-MSOLQXFVSA-N 2 2 335.536 3.116 20 0 EGADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982816 462203590 /nfs/dbraw/zinc/20/35/90/462203590.db2.gz ISTFMISNTMZHJC-ROUUACIJSA-N 2 2 335.536 3.116 20 0 EGADLP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000640115409 462265178 /nfs/dbraw/zinc/26/51/78/462265178.db2.gz FFTZBLMCBJSWJM-UHFFFAOYSA-N 2 2 329.448 3.064 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000654579660 462294775 /nfs/dbraw/zinc/29/47/75/462294775.db2.gz NUYHMTBGYLYRNJ-CYBMUJFWSA-N 2 2 347.488 3.060 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000654579660 462294781 /nfs/dbraw/zinc/29/47/81/462294781.db2.gz NUYHMTBGYLYRNJ-CYBMUJFWSA-N 2 2 347.488 3.060 20 0 EGADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)nc1 ZINC000648872476 462313385 /nfs/dbraw/zinc/31/33/85/462313385.db2.gz WIFMYFLHGVVTSC-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)nc1 ZINC000648872476 462313391 /nfs/dbraw/zinc/31/33/91/462313391.db2.gz WIFMYFLHGVVTSC-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP CC[NH+](CC)CCN(Cc1cn(C)c[nH+]1)Cc1ccc(Cl)cc1 ZINC000661575647 462316005 /nfs/dbraw/zinc/31/60/05/462316005.db2.gz JRZPQSFSAFSMAE-UHFFFAOYSA-N 2 2 334.895 3.418 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC000661664682 462355814 /nfs/dbraw/zinc/35/58/14/462355814.db2.gz BTQQOHGBBZMGQU-RBBKRZOGSA-N 2 2 347.462 3.470 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@@H]1c1ccccc1 ZINC000661664682 462355816 /nfs/dbraw/zinc/35/58/16/462355816.db2.gz BTQQOHGBBZMGQU-RBBKRZOGSA-N 2 2 347.462 3.470 20 0 EGADLP FC(F)(F)c1ncc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000665234281 462363075 /nfs/dbraw/zinc/36/30/75/462363075.db2.gz AAGVWDMUVJKWEM-HUUCEWRRSA-N 2 2 336.361 3.078 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000665237835 462363710 /nfs/dbraw/zinc/36/37/10/462363710.db2.gz KWCJPEDFUQNEIU-RRQGHBQHSA-N 2 2 344.421 3.425 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000665257395 462372864 /nfs/dbraw/zinc/37/28/64/462372864.db2.gz HYTFCGZFJKKDMI-NIKGAXFTSA-N 2 2 330.451 3.399 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)CC3 ZINC000658090257 462378524 /nfs/dbraw/zinc/37/85/24/462378524.db2.gz FVUORTUJMSGGEI-GJZGRUSLSA-N 2 2 341.499 3.496 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)CC3 ZINC000658090257 462378529 /nfs/dbraw/zinc/37/85/29/462378529.db2.gz FVUORTUJMSGGEI-GJZGRUSLSA-N 2 2 341.499 3.496 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736526 462389422 /nfs/dbraw/zinc/38/94/22/462389422.db2.gz OBJVBSXKZGQIEO-KRWDZBQOSA-N 2 2 333.863 3.468 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC000661736526 462389424 /nfs/dbraw/zinc/38/94/24/462389424.db2.gz OBJVBSXKZGQIEO-KRWDZBQOSA-N 2 2 333.863 3.468 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccc(F)cc4)nc3)C[C@@H]2C1 ZINC000668077645 462407073 /nfs/dbraw/zinc/40/70/73/462407073.db2.gz UBGGWJTZQDLDFX-IYBDPMFKSA-N 2 2 327.403 3.006 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccc(F)cc4)nc3)C[C@@H]2C1 ZINC000668077645 462407081 /nfs/dbraw/zinc/40/70/81/462407081.db2.gz UBGGWJTZQDLDFX-IYBDPMFKSA-N 2 2 327.403 3.006 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C[C@@H]2C1 ZINC000668077645 462407085 /nfs/dbraw/zinc/40/70/85/462407085.db2.gz UBGGWJTZQDLDFX-IYBDPMFKSA-N 2 2 327.403 3.006 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C[C@@H]2C1 ZINC000668077645 462407092 /nfs/dbraw/zinc/40/70/92/462407092.db2.gz UBGGWJTZQDLDFX-IYBDPMFKSA-N 2 2 327.403 3.006 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000652136228 462446236 /nfs/dbraw/zinc/44/62/36/462446236.db2.gz JLTJSEKYRYVJHI-OAQYLSRUSA-N 2 2 337.467 3.396 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295799 462461289 /nfs/dbraw/zinc/46/12/89/462461289.db2.gz OOWFRUCZLSRYTN-OXJNMPFZSA-N 2 2 344.499 3.261 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416945 462503430 /nfs/dbraw/zinc/50/34/30/462503430.db2.gz REBSOTBICDCICD-FUHWJXTLSA-N 2 2 329.513 3.488 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1[NH3+] ZINC000649416945 462503435 /nfs/dbraw/zinc/50/34/35/462503435.db2.gz REBSOTBICDCICD-FUHWJXTLSA-N 2 2 329.513 3.488 20 0 EGADLP CCc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc[nH+]1 ZINC000603495234 479395344 /nfs/dbraw/zinc/39/53/44/479395344.db2.gz NZEHDEQNELUMND-MRXNPFEDSA-N 2 2 340.471 3.351 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158867490 534640588 /nfs/dbraw/zinc/64/05/88/534640588.db2.gz DILYSCCDZNZVTE-MJGOQNOKSA-N 2 2 343.515 3.473 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158867490 534640596 /nfs/dbraw/zinc/64/05/96/534640596.db2.gz DILYSCCDZNZVTE-MJGOQNOKSA-N 2 2 343.515 3.473 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158867490 534640599 /nfs/dbraw/zinc/64/05/99/534640599.db2.gz DILYSCCDZNZVTE-MJGOQNOKSA-N 2 2 343.515 3.473 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158867490 534640607 /nfs/dbraw/zinc/64/06/07/534640607.db2.gz DILYSCCDZNZVTE-MJGOQNOKSA-N 2 2 343.515 3.473 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000174155387 534871332 /nfs/dbraw/zinc/87/13/32/534871332.db2.gz RWEQOPNGIXDEKL-CQSZACIVSA-N 2 2 340.427 3.454 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)o1 ZINC000174155387 534871335 /nfs/dbraw/zinc/87/13/35/534871335.db2.gz RWEQOPNGIXDEKL-CQSZACIVSA-N 2 2 340.427 3.454 20 0 EGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000181971911 527027486 /nfs/dbraw/zinc/02/74/86/527027486.db2.gz QJHHJCPVFOEYMX-CQSZACIVSA-N 2 2 349.438 3.385 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)co2)cc1 ZINC000153901875 528354319 /nfs/dbraw/zinc/35/43/19/528354319.db2.gz DHLDZOYQUDKIOS-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)co2)cc1 ZINC000153901875 528354324 /nfs/dbraw/zinc/35/43/24/528354324.db2.gz DHLDZOYQUDKIOS-HNNXBMFYSA-N 2 2 329.444 3.124 20 0 EGADLP CC[N@H+](CCCC1CC[NH+](Cc2ccon2)CC1)Cc1ccon1 ZINC000154713558 528430406 /nfs/dbraw/zinc/43/04/06/528430406.db2.gz JUGVSAXIYVUXFK-UHFFFAOYSA-N 2 2 332.448 3.177 20 0 EGADLP CC[N@@H+](CCCC1CC[NH+](Cc2ccon2)CC1)Cc1ccon1 ZINC000154713558 528430413 /nfs/dbraw/zinc/43/04/13/528430413.db2.gz JUGVSAXIYVUXFK-UHFFFAOYSA-N 2 2 332.448 3.177 20 0 EGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000168584152 528552044 /nfs/dbraw/zinc/55/20/44/528552044.db2.gz BKBNUBBJZXONOK-KRWDZBQOSA-N 2 2 346.500 3.087 20 0 EGADLP CC(C)C[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000168584152 528552050 /nfs/dbraw/zinc/55/20/50/528552050.db2.gz BKBNUBBJZXONOK-KRWDZBQOSA-N 2 2 346.500 3.087 20 0 EGADLP CC(C)n1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000179602070 528560634 /nfs/dbraw/zinc/56/06/34/528560634.db2.gz YBTCATSUQQUJFN-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000179602070 528560642 /nfs/dbraw/zinc/56/06/42/528560642.db2.gz YBTCATSUQQUJFN-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000179602070 528560647 /nfs/dbraw/zinc/56/06/47/528560647.db2.gz YBTCATSUQQUJFN-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC(C)n1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000179602070 528560650 /nfs/dbraw/zinc/56/06/50/528560650.db2.gz YBTCATSUQQUJFN-LJQANCHMSA-N 2 2 326.488 3.418 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000159257112 528988337 /nfs/dbraw/zinc/98/83/37/528988337.db2.gz HMSWPIVMVNDPKE-CYBMUJFWSA-N 2 2 347.894 3.364 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000159297582 528988971 /nfs/dbraw/zinc/98/89/71/528988971.db2.gz IGVCGDQSHOXMNX-ZDUSSCGKSA-N 2 2 347.894 3.364 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353334398 535581078 /nfs/dbraw/zinc/58/10/78/535581078.db2.gz YQTAZMHDWJEDBA-DOTOQJQBSA-N 2 2 343.475 3.356 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246825896 535885297 /nfs/dbraw/zinc/88/52/97/535885297.db2.gz JIJPDAHEEXLFIV-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246825896 535885301 /nfs/dbraw/zinc/88/53/01/535885301.db2.gz JIJPDAHEEXLFIV-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246825896 535885306 /nfs/dbraw/zinc/88/53/06/535885306.db2.gz JIJPDAHEEXLFIV-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246825896 535885310 /nfs/dbraw/zinc/88/53/10/535885310.db2.gz JIJPDAHEEXLFIV-IRXDYDNUSA-N 2 2 345.531 3.412 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000353474566 536357236 /nfs/dbraw/zinc/35/72/36/536357236.db2.gz VOVQEMDBKOPDKB-UHFFFAOYSA-N 2 2 346.515 3.069 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000353474566 536357239 /nfs/dbraw/zinc/35/72/39/536357239.db2.gz VOVQEMDBKOPDKB-UHFFFAOYSA-N 2 2 346.515 3.069 20 0 EGADLP Cc1cccn2cc(CN3CCC[N@H+](Cc4ccccc4)CC3)[nH+]c12 ZINC000054992837 546557474 /nfs/dbraw/zinc/55/74/74/546557474.db2.gz GPWJLBIHRGWRCK-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1cccn2cc(CN3CCC[N@@H+](Cc4ccccc4)CC3)[nH+]c12 ZINC000054992837 546557478 /nfs/dbraw/zinc/55/74/78/546557478.db2.gz GPWJLBIHRGWRCK-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP C[C@H]1C[C@@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230917 546599493 /nfs/dbraw/zinc/59/94/93/546599493.db2.gz MBRNWIPSHVHWPN-WMZOPIPTSA-N 2 2 348.454 3.127 20 0 EGADLP C[C@H]1C[C@@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@H+]1Cc1ccccc1 ZINC000080230917 546599500 /nfs/dbraw/zinc/59/95/00/546599500.db2.gz MBRNWIPSHVHWPN-WMZOPIPTSA-N 2 2 348.454 3.127 20 0 EGADLP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000088537006 546640316 /nfs/dbraw/zinc/64/03/16/546640316.db2.gz WRXOZERZMZCWDL-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000088537006 546640319 /nfs/dbraw/zinc/64/03/19/546640319.db2.gz WRXOZERZMZCWDL-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000088537006 546640324 /nfs/dbraw/zinc/64/03/24/546640324.db2.gz WRXOZERZMZCWDL-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000088537006 546640330 /nfs/dbraw/zinc/64/03/30/546640330.db2.gz WRXOZERZMZCWDL-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987665 /nfs/dbraw/zinc/98/76/65/546987665.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987673 /nfs/dbraw/zinc/98/76/73/546987673.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987680 /nfs/dbraw/zinc/98/76/80/546987680.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)c1 ZINC000166404688 546987685 /nfs/dbraw/zinc/98/76/85/546987685.db2.gz CWRWGCPATRGMIF-KZNAEPCWSA-N 3 2 333.545 3.177 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2F)[C@H](C)C1 ZINC000192684592 547203448 /nfs/dbraw/zinc/20/34/48/547203448.db2.gz DBZCUVFUOSGFAR-NVXWUHKLSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2F)[C@H](C)C1 ZINC000192684592 547203452 /nfs/dbraw/zinc/20/34/52/547203452.db2.gz DBZCUVFUOSGFAR-NVXWUHKLSA-N 2 2 338.467 3.061 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000248669245 547302123 /nfs/dbraw/zinc/30/21/23/547302123.db2.gz RGDICXXFDQQIRT-PBHICJAKSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000248669245 547302128 /nfs/dbraw/zinc/30/21/28/547302128.db2.gz RGDICXXFDQQIRT-PBHICJAKSA-N 2 2 338.492 3.309 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414931258 547861888 /nfs/dbraw/zinc/86/18/88/547861888.db2.gz UJGXENXUSXAOMU-CABCVRRESA-N 2 2 331.485 3.390 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ncc1Br ZINC000628146875 548135320 /nfs/dbraw/zinc/13/53/20/548135320.db2.gz BURKILFLFIBRSB-GFCCVEGCSA-N 2 2 335.249 3.255 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ncc1Br ZINC000628146875 548135325 /nfs/dbraw/zinc/13/53/25/548135325.db2.gz BURKILFLFIBRSB-GFCCVEGCSA-N 2 2 335.249 3.255 20 0 EGADLP Cc1ccc(CNC(=O)Nc2c(C)cc[nH+]c2C)c(N2CCCC2)[nH+]1 ZINC000672765210 548474936 /nfs/dbraw/zinc/47/49/36/548474936.db2.gz BOWQCCBRNCMJOG-UHFFFAOYSA-N 2 2 339.443 3.324 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000675246807 548879793 /nfs/dbraw/zinc/87/97/93/548879793.db2.gz XJETZZUJAXEDPJ-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1ccccc1C[N@H+]1CCCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000675246807 548879796 /nfs/dbraw/zinc/87/97/96/548879796.db2.gz XJETZZUJAXEDPJ-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2F)C(C)C)CC1 ZINC000675934778 549006761 /nfs/dbraw/zinc/00/67/61/549006761.db2.gz VCEAJGGSBMBJAN-SFHVURJKSA-N 2 2 326.431 3.362 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479647 549278257 /nfs/dbraw/zinc/27/82/57/549278257.db2.gz LDTRPGJODKJMEZ-CRAIPNDOSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479647 549278259 /nfs/dbraw/zinc/27/82/59/549278259.db2.gz LDTRPGJODKJMEZ-CRAIPNDOSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479647 549278261 /nfs/dbraw/zinc/27/82/61/549278261.db2.gz LDTRPGJODKJMEZ-CRAIPNDOSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)[nH]c1C ZINC000677479647 549278262 /nfs/dbraw/zinc/27/82/62/549278262.db2.gz LDTRPGJODKJMEZ-CRAIPNDOSA-N 2 2 346.519 3.050 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000677502492 549281436 /nfs/dbraw/zinc/28/14/36/549281436.db2.gz MQVILPOLPUHCBQ-SFHVURJKSA-N 2 2 337.471 3.009 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000677502492 549281440 /nfs/dbraw/zinc/28/14/40/549281440.db2.gz MQVILPOLPUHCBQ-SFHVURJKSA-N 2 2 337.471 3.009 20 0 EGADLP Cc1ncc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000679081017 549630749 /nfs/dbraw/zinc/63/07/49/549630749.db2.gz UZMASHUHHPPVMC-IUODEOHRSA-N 2 2 331.489 3.160 20 0 EGADLP CCN(CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1)CC(F)(F)F ZINC000681215610 549969044 /nfs/dbraw/zinc/96/90/44/549969044.db2.gz JZBGITBPFKYKSO-UHFFFAOYSA-N 2 2 344.425 3.232 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000682407198 550095777 /nfs/dbraw/zinc/09/57/77/550095777.db2.gz UHKZKTQHVZPYFE-MRXNPFEDSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O)cc2)C1 ZINC000682407198 550095779 /nfs/dbraw/zinc/09/57/79/550095779.db2.gz UHKZKTQHVZPYFE-MRXNPFEDSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O)cc2)C1 ZINC000682407198 550095781 /nfs/dbraw/zinc/09/57/81/550095781.db2.gz UHKZKTQHVZPYFE-MRXNPFEDSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000682407198 550095784 /nfs/dbraw/zinc/09/57/84/550095784.db2.gz UHKZKTQHVZPYFE-MRXNPFEDSA-N 2 2 331.485 3.111 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000683474514 550232862 /nfs/dbraw/zinc/23/28/62/550232862.db2.gz LJSRYEHBWRXTCW-BUVFEPMLSA-N 2 2 336.479 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000683474514 550232863 /nfs/dbraw/zinc/23/28/63/550232863.db2.gz LJSRYEHBWRXTCW-BUVFEPMLSA-N 2 2 336.479 3.360 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000683693714 550254514 /nfs/dbraw/zinc/25/45/14/550254514.db2.gz CCPRNFCPXXIDRC-QFBILLFUSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000683693714 550254517 /nfs/dbraw/zinc/25/45/17/550254517.db2.gz CCPRNFCPXXIDRC-QFBILLFUSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccc(CCCNc2ccc(C[NH+]3CCC(O)CC3)cc2)c[nH+]1 ZINC000684364677 550319936 /nfs/dbraw/zinc/31/99/36/550319936.db2.gz GYJJLQWBFARCOX-UHFFFAOYSA-N 2 2 339.483 3.391 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC000727491860 574671289 /nfs/dbraw/zinc/67/12/89/574671289.db2.gz QTZXIOBMNIWUAQ-QGZVFWFLSA-N 2 2 346.475 3.163 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C2)cc1OCc1ccccc1 ZINC000729681833 574878169 /nfs/dbraw/zinc/87/81/69/574878169.db2.gz KOISXKOKBMOVPX-SFHVURJKSA-N 2 2 326.440 3.068 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc1OCc1ccccc1 ZINC000729681833 574878172 /nfs/dbraw/zinc/87/81/72/574878172.db2.gz KOISXKOKBMOVPX-SFHVURJKSA-N 2 2 326.440 3.068 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920235 574895679 /nfs/dbraw/zinc/89/56/79/574895679.db2.gz LJOHFZYUPFVXTA-CVEARBPZSA-N 2 2 339.361 3.272 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920235 574895681 /nfs/dbraw/zinc/89/56/81/574895681.db2.gz LJOHFZYUPFVXTA-CVEARBPZSA-N 2 2 339.361 3.272 20 0 EGADLP C[NH+]1CCC(NC(=S)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000732623357 575279562 /nfs/dbraw/zinc/27/95/62/575279562.db2.gz ALCKVQPUAMFNQG-UHFFFAOYSA-N 2 2 342.468 3.255 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@H](C)c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000182250774 575343317 /nfs/dbraw/zinc/34/33/17/575343317.db2.gz WBWZJXDTDKNDHJ-QAPCUYQASA-N 2 2 330.476 3.162 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000734509336 575504663 /nfs/dbraw/zinc/50/46/63/575504663.db2.gz HLIUJPXGQKFTLQ-AEFFLSMTSA-N 2 2 344.430 3.347 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000734509336 575504667 /nfs/dbraw/zinc/50/46/67/575504667.db2.gz HLIUJPXGQKFTLQ-AEFFLSMTSA-N 2 2 344.430 3.347 20 0 EGADLP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000678697733 576169867 /nfs/dbraw/zinc/16/98/67/576169867.db2.gz KZNDDEMTSFJFRL-LJQANCHMSA-N 2 2 335.495 3.441 20 0 EGADLP CCn1cc[nH+]c1CNc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000738430067 576324899 /nfs/dbraw/zinc/32/48/99/576324899.db2.gz GKYCBQCEBVENAQ-UHFFFAOYSA-N 2 2 328.460 3.298 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742375047 576775526 /nfs/dbraw/zinc/77/55/26/576775526.db2.gz LKARWXGVNUOQLJ-YOEHRIQHSA-N 2 2 346.906 3.466 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742375047 576775527 /nfs/dbraw/zinc/77/55/27/576775527.db2.gz LKARWXGVNUOQLJ-YOEHRIQHSA-N 2 2 346.906 3.466 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@@H+]1C ZINC000742374637 576775566 /nfs/dbraw/zinc/77/55/66/576775566.db2.gz AUJIKMQOGCHJAG-UKRRQHHQSA-N 2 2 332.879 3.313 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC[N@H+]1C ZINC000742374637 576775567 /nfs/dbraw/zinc/77/55/67/576775567.db2.gz AUJIKMQOGCHJAG-UKRRQHHQSA-N 2 2 332.879 3.313 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)c(Cl)nc21 ZINC000742733996 576794497 /nfs/dbraw/zinc/79/44/97/576794497.db2.gz UJLZHWQRLCCBKJ-CQSZACIVSA-N 2 2 349.910 3.486 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)c(Cl)nc21 ZINC000742733996 576794498 /nfs/dbraw/zinc/79/44/98/576794498.db2.gz UJLZHWQRLCCBKJ-CQSZACIVSA-N 2 2 349.910 3.486 20 0 EGADLP CC(C)(C)c1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000048563297 1291611112 /nfs/dbraw/zinc/61/11/12/1291611112.db2.gz MNDYENLGXMCUCW-UHFFFAOYSA-N 2 2 334.508 3.455 20 0 EGADLP Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000067120963 1292147514 /nfs/dbraw/zinc/14/75/14/1292147514.db2.gz RDTHWAAYCUSYCJ-UHFFFAOYSA-N 2 2 328.431 3.256 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000117382153 1293220244 /nfs/dbraw/zinc/22/02/44/1293220244.db2.gz DFCMKLFKRCAMEU-IYBDPMFKSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1csc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000117382153 1293220252 /nfs/dbraw/zinc/22/02/52/1293220252.db2.gz DFCMKLFKRCAMEU-IYBDPMFKSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1csc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n1 ZINC000117385251 1293220916 /nfs/dbraw/zinc/22/09/16/1293220916.db2.gz ZCXIZDKHHOPKSN-AWEZNQCLSA-N 2 2 348.491 3.193 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000127059548 1293552894 /nfs/dbraw/zinc/55/28/94/1293552894.db2.gz HPWGGXMJOVIHOA-CYBMUJFWSA-N 2 2 341.293 3.365 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000127059548 1293552900 /nfs/dbraw/zinc/55/29/00/1293552900.db2.gz HPWGGXMJOVIHOA-CYBMUJFWSA-N 2 2 341.293 3.365 20 0 EGADLP c1nc(C2CC2)sc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000134070659 1293762281 /nfs/dbraw/zinc/76/22/81/1293762281.db2.gz KCMLWOGGEMWRNQ-UHFFFAOYSA-N 2 2 343.496 3.143 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000163851519 1294340356 /nfs/dbraw/zinc/34/03/56/1294340356.db2.gz KZCOMVCAWIPJJE-INIZCTEOSA-N 2 2 338.455 3.361 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000180728422 1294910224 /nfs/dbraw/zinc/91/02/24/1294910224.db2.gz CQHBOWPPIPXTPZ-CVEARBPZSA-N 2 2 348.491 3.167 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H]2CCC=CO2)CCOCC1)c1ccccc1 ZINC000194459094 1295980308 /nfs/dbraw/zinc/98/03/08/1295980308.db2.gz KZTGYQJNAVDHOA-MJGOQNOKSA-N 2 2 330.472 3.169 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000246692636 1296366995 /nfs/dbraw/zinc/36/69/95/1296366995.db2.gz ZROHSQFUVVHTCQ-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000246692636 1296367003 /nfs/dbraw/zinc/36/70/03/1296367003.db2.gz ZROHSQFUVVHTCQ-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000246692636 1296367006 /nfs/dbraw/zinc/36/70/06/1296367006.db2.gz ZROHSQFUVVHTCQ-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000246692636 1296367018 /nfs/dbraw/zinc/36/70/18/1296367018.db2.gz ZROHSQFUVVHTCQ-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(O)ccc1F ZINC000872018712 1296660515 /nfs/dbraw/zinc/66/05/15/1296660515.db2.gz PBBHSJGYBJURJD-HNNXBMFYSA-N 2 2 344.430 3.214 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000324898099 1297218105 /nfs/dbraw/zinc/21/81/05/1297218105.db2.gz VAXZIHKYIMWPNO-WMLDXEAASA-N 2 2 349.500 3.052 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350439 1297254621 /nfs/dbraw/zinc/25/46/21/1297254621.db2.gz NGDRUBFAZLGOGZ-XJKSGUPXSA-N 2 2 325.294 3.454 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350439 1297254631 /nfs/dbraw/zinc/25/46/31/1297254631.db2.gz NGDRUBFAZLGOGZ-XJKSGUPXSA-N 2 2 325.294 3.454 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+](C3CC3)[C@@H]2c2ccnn2C)[nH+]1 ZINC000344463721 1297332445 /nfs/dbraw/zinc/33/24/45/1297332445.db2.gz YLILXZPQBJTQPV-KXBFYZLASA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+](C3CC3)[C@@H]2c2ccnn2C)[nH+]1 ZINC000344463721 1297332458 /nfs/dbraw/zinc/33/24/58/1297332458.db2.gz YLILXZPQBJTQPV-KXBFYZLASA-N 2 2 325.460 3.151 20 0 EGADLP Fc1ccccc1[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204922 1297349342 /nfs/dbraw/zinc/34/93/42/1297349342.db2.gz LEIOPXDESGFKGT-QGZVFWFLSA-N 2 2 332.444 3.106 20 0 EGADLP Fc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204922 1297349357 /nfs/dbraw/zinc/34/93/57/1297349357.db2.gz LEIOPXDESGFKGT-QGZVFWFLSA-N 2 2 332.444 3.106 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000400364870 1297729198 /nfs/dbraw/zinc/72/91/98/1297729198.db2.gz RFNPDVPHMGJEKE-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000400364870 1297729208 /nfs/dbraw/zinc/72/92/08/1297729208.db2.gz RFNPDVPHMGJEKE-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000693878782 1298152583 /nfs/dbraw/zinc/15/25/83/1298152583.db2.gz PAKZYYAZIDAUMR-BZUAXINKSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000693878782 1298152588 /nfs/dbraw/zinc/15/25/88/1298152588.db2.gz PAKZYYAZIDAUMR-BZUAXINKSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693877444 1298152754 /nfs/dbraw/zinc/15/27/54/1298152754.db2.gz KUCSEFATVRSOFE-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693877444 1298152760 /nfs/dbraw/zinc/15/27/60/1298152760.db2.gz KUCSEFATVRSOFE-HZPDHXFCSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000695241587 1298159573 /nfs/dbraw/zinc/15/95/73/1298159573.db2.gz XUQOZEYPGXZKCE-QGZVFWFLSA-N 2 2 339.524 3.098 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000695241587 1298159576 /nfs/dbraw/zinc/15/95/76/1298159576.db2.gz XUQOZEYPGXZKCE-QGZVFWFLSA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(Cl)c3N)[nH+]c2)C1 ZINC000877117175 1299164128 /nfs/dbraw/zinc/16/41/28/1299164128.db2.gz MENYXILNLBITHK-OAHLLOKOSA-N 2 2 345.878 3.070 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(Cl)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877168408 1299190421 /nfs/dbraw/zinc/19/04/21/1299190421.db2.gz SZHDPBDWFYKKOS-GOEBONIOSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(Cl)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877168408 1299190431 /nfs/dbraw/zinc/19/04/31/1299190431.db2.gz SZHDPBDWFYKKOS-GOEBONIOSA-N 2 2 330.863 3.130 20 0 EGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738181 1299515263 /nfs/dbraw/zinc/51/52/63/1299515263.db2.gz AKDAJUHVONQGFP-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738181 1299515270 /nfs/dbraw/zinc/51/52/70/1299515270.db2.gz AKDAJUHVONQGFP-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738181 1299515281 /nfs/dbraw/zinc/51/52/81/1299515281.db2.gz AKDAJUHVONQGFP-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738181 1299515286 /nfs/dbraw/zinc/51/52/86/1299515286.db2.gz AKDAJUHVONQGFP-GUYCJALGSA-N 2 2 331.460 3.475 20 0 EGADLP COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877822526 1299588113 /nfs/dbraw/zinc/58/81/13/1299588113.db2.gz REWSITUSIPQJRT-INIZCTEOSA-N 2 2 327.428 3.038 20 0 EGADLP COC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000877822526 1299588121 /nfs/dbraw/zinc/58/81/21/1299588121.db2.gz REWSITUSIPQJRT-INIZCTEOSA-N 2 2 327.428 3.038 20 0 EGADLP Cc1ccc(NC(=O)N(C)CCCC[NH+]2CCCCC2)c(N(C)C)[nH+]1 ZINC000879002808 1300311431 /nfs/dbraw/zinc/31/14/31/1300311431.db2.gz NCKHKHSGGPLJKA-UHFFFAOYSA-N 2 2 347.507 3.186 20 0 EGADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nc(C4CC4)sc3=S)C2)CC1 ZINC000755774618 1300396031 /nfs/dbraw/zinc/39/60/31/1300396031.db2.gz IOPFWZIDWQQOOQ-AWEZNQCLSA-N 2 2 338.546 3.173 20 0 EGADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nc(C4CC4)sc3=S)C2)CC1 ZINC000755774618 1300396045 /nfs/dbraw/zinc/39/60/45/1300396045.db2.gz IOPFWZIDWQQOOQ-AWEZNQCLSA-N 2 2 338.546 3.173 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC000882951802 1302180603 /nfs/dbraw/zinc/18/06/03/1302180603.db2.gz VVIDJBCRGBHDRJ-MRXNPFEDSA-N 2 2 326.444 3.459 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791495 1302328304 /nfs/dbraw/zinc/32/83/04/1302328304.db2.gz LJOJKIAHBFVSJN-ORYQWCPZSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791495 1302328316 /nfs/dbraw/zinc/32/83/16/1302328316.db2.gz LJOJKIAHBFVSJN-ORYQWCPZSA-N 2 2 337.467 3.262 20 0 EGADLP CC(C)C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccn1 ZINC000765972530 1302359127 /nfs/dbraw/zinc/35/91/27/1302359127.db2.gz AGGBOXFXGLQMTM-UYAOXDASSA-N 2 2 331.504 3.402 20 0 EGADLP COc1cc(C)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765975800 1302359938 /nfs/dbraw/zinc/35/99/38/1302359938.db2.gz KIINEDRUEQWWGS-FUHWJXTLSA-N 2 2 332.488 3.298 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137560 1302399791 /nfs/dbraw/zinc/39/97/91/1302399791.db2.gz ZZCOVTQZFMSSLA-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccnc(Cl)c1 ZINC000766137560 1302399800 /nfs/dbraw/zinc/39/98/00/1302399800.db2.gz ZZCOVTQZFMSSLA-KXBFYZLASA-N 2 2 345.874 3.023 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(CCO)CCCC3)CC2)cc1 ZINC000766367890 1302439229 /nfs/dbraw/zinc/43/92/29/1302439229.db2.gz DQNOUYNGEMSWEB-UHFFFAOYSA-N 2 2 345.531 3.254 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCC(C)(O)CC3)CC2)cc1 ZINC000766479819 1302460157 /nfs/dbraw/zinc/46/01/57/1302460157.db2.gz PJOKRDOAFWRDRS-UHFFFAOYSA-N 2 2 331.504 3.005 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(F)cn3)CC2)cc1 ZINC000766608759 1302486150 /nfs/dbraw/zinc/48/61/50/1302486150.db2.gz PXFUEXUGJSIRQF-UHFFFAOYSA-N 2 2 328.435 3.045 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516967 1303133350 /nfs/dbraw/zinc/13/33/50/1303133350.db2.gz WYKRXXBDRJFYTA-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516967 1303133355 /nfs/dbraw/zinc/13/33/55/1303133355.db2.gz WYKRXXBDRJFYTA-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516967 1303133359 /nfs/dbraw/zinc/13/33/59/1303133359.db2.gz WYKRXXBDRJFYTA-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000769516967 1303133364 /nfs/dbraw/zinc/13/33/64/1303133364.db2.gz WYKRXXBDRJFYTA-MRXNPFEDSA-N 2 2 348.491 3.202 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769685743 1303157295 /nfs/dbraw/zinc/15/72/95/1303157295.db2.gz SXGBSMOKOVLVGR-OAGGEKHMSA-N 2 2 327.513 3.142 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000885949462 1303293495 /nfs/dbraw/zinc/29/34/95/1303293495.db2.gz YKZMDOGYYASPGX-OAHLLOKOSA-N 2 2 337.471 3.420 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000886316826 1303432135 /nfs/dbraw/zinc/43/21/35/1303432135.db2.gz NZDWBETZZQPYFQ-OAHLLOKOSA-N 2 2 334.426 3.342 20 0 EGADLP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000886503700 1303479279 /nfs/dbraw/zinc/47/92/79/1303479279.db2.gz AFZIIXQINUTFKX-UHFFFAOYSA-N 3 2 342.531 3.437 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)[nH+]c1C ZINC000886668722 1303549129 /nfs/dbraw/zinc/54/91/29/1303549129.db2.gz YPKHRWZNRNWXAB-UHFFFAOYSA-N 2 2 346.862 3.498 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886869763 1303620854 /nfs/dbraw/zinc/62/08/54/1303620854.db2.gz HMLHSSXZNRYTBS-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)co2)c1 ZINC000886869763 1303620856 /nfs/dbraw/zinc/62/08/56/1303620856.db2.gz HMLHSSXZNRYTBS-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773314046 1303660311 /nfs/dbraw/zinc/66/03/11/1303660311.db2.gz YCMRJHVIJMMURN-UHFFFAOYSA-N 2 2 349.450 3.135 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2c3cc(F)ccc3oc2=O)CC1 ZINC000773314046 1303660317 /nfs/dbraw/zinc/66/03/17/1303660317.db2.gz YCMRJHVIJMMURN-UHFFFAOYSA-N 2 2 349.450 3.135 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)Cc2ccccc2C1 ZINC000775394478 1303954952 /nfs/dbraw/zinc/95/49/52/1303954952.db2.gz QULCXYFFACCJJY-SQNIBIBYSA-N 2 2 348.581 3.055 20 0 EGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)C1CCOCC1 ZINC000777301214 1304280647 /nfs/dbraw/zinc/28/06/47/1304280647.db2.gz RJCBRBDUYTWSFN-INIZCTEOSA-N 2 2 331.504 3.444 20 0 EGADLP CCC1(CC)CN(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C(=O)O1 ZINC000782944506 1305026180 /nfs/dbraw/zinc/02/61/80/1305026180.db2.gz INLZVUGCBFGTLW-UHFFFAOYSA-N 2 2 348.491 3.344 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823727 1305179602 /nfs/dbraw/zinc/17/96/02/1305179602.db2.gz ZZTPPGIPFJBWSH-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823727 1305179604 /nfs/dbraw/zinc/17/96/04/1305179604.db2.gz ZZTPPGIPFJBWSH-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823727 1305179610 /nfs/dbraw/zinc/17/96/10/1305179610.db2.gz ZZTPPGIPFJBWSH-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823727 1305179614 /nfs/dbraw/zinc/17/96/14/1305179614.db2.gz ZZTPPGIPFJBWSH-SJORKVTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893099138 1305706493 /nfs/dbraw/zinc/70/64/93/1305706493.db2.gz WKUNLTRBJDJTOY-OXQOHEQNSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cnn(C)c2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893099138 1305706504 /nfs/dbraw/zinc/70/65/04/1305706504.db2.gz WKUNLTRBJDJTOY-OXQOHEQNSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242594 1305905803 /nfs/dbraw/zinc/90/58/03/1305905803.db2.gz FYONYAVLUJRFGE-IKGGRYGDSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242594 1305905809 /nfs/dbraw/zinc/90/58/09/1305905809.db2.gz FYONYAVLUJRFGE-IKGGRYGDSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788502197 1305957051 /nfs/dbraw/zinc/95/70/51/1305957051.db2.gz HHGXOFSYYFTJMD-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788502197 1305957059 /nfs/dbraw/zinc/95/70/59/1305957059.db2.gz HHGXOFSYYFTJMD-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000894165470 1306257146 /nfs/dbraw/zinc/25/71/46/1306257146.db2.gz FIUWAHGCZXILJO-UHFFFAOYSA-N 2 2 343.471 3.165 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3c2NCCC3)cn1 ZINC000894197211 1306271133 /nfs/dbraw/zinc/27/11/33/1306271133.db2.gz OXBGOKYMJAIPGM-UHFFFAOYSA-N 2 2 333.439 3.224 20 0 EGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790485502 1306335793 /nfs/dbraw/zinc/33/57/93/1306335793.db2.gz NHDIZOYUKCLNMC-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790485502 1306335800 /nfs/dbraw/zinc/33/58/00/1306335800.db2.gz NHDIZOYUKCLNMC-MRXNPFEDSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790529983 1306344375 /nfs/dbraw/zinc/34/43/75/1306344375.db2.gz OZVSNDDFZFYPPJ-KRWDZBQOSA-N 2 2 346.906 3.406 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790529983 1306344386 /nfs/dbraw/zinc/34/43/86/1306344386.db2.gz OZVSNDDFZFYPPJ-KRWDZBQOSA-N 2 2 346.906 3.406 20 0 EGADLP CC(C)N(C)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000790954032 1308894839 /nfs/dbraw/zinc/89/48/39/1308894839.db2.gz JAKUQEISKKQZMN-QGZVFWFLSA-N 2 2 329.492 3.327 20 0 EGADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cc12 ZINC000791011078 1308910390 /nfs/dbraw/zinc/91/03/90/1308910390.db2.gz MRYNWWFUNLZLQX-UHFFFAOYSA-N 2 2 349.910 3.142 20 0 EGADLP COc1cc(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccn1 ZINC000895707300 1309478398 /nfs/dbraw/zinc/47/83/98/1309478398.db2.gz QAHWAPFGCBXZAJ-QFBILLFUSA-N 2 2 336.439 3.249 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc[nH+]c3c(O)cccc23)cn1 ZINC000795072894 1309662682 /nfs/dbraw/zinc/66/26/82/1309662682.db2.gz IVGWSAKFHXYJIA-UHFFFAOYSA-N 2 2 331.379 3.442 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000796267798 1309947982 /nfs/dbraw/zinc/94/79/82/1309947982.db2.gz YZRCPFZQODHLBK-OLZOCXBDSA-N 2 2 339.270 3.358 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000796267798 1309947986 /nfs/dbraw/zinc/94/79/86/1309947986.db2.gz YZRCPFZQODHLBK-OLZOCXBDSA-N 2 2 339.270 3.358 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000796782076 1310086995 /nfs/dbraw/zinc/08/69/95/1310086995.db2.gz OSQUMTXUHLHWOP-DYESRHJHSA-N 2 2 339.483 3.448 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000796782076 1310087003 /nfs/dbraw/zinc/08/70/03/1310087003.db2.gz OSQUMTXUHLHWOP-DYESRHJHSA-N 2 2 339.483 3.448 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000825101963 1320310048 /nfs/dbraw/zinc/31/00/48/1320310048.db2.gz IVRNBVBVDKTVPU-OAGGEKHMSA-N 2 2 346.462 3.208 20 0 EGADLP CCc1cccc(C[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001019040087 1317017282 /nfs/dbraw/zinc/01/72/82/1317017282.db2.gz ICABAHTVKKMDFK-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1[nH]c(C2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)[nH+]c1C ZINC000899505701 1317059978 /nfs/dbraw/zinc/05/99/78/1317059978.db2.gz QWXXXVJBACAXIB-UHFFFAOYSA-N 2 2 340.471 3.108 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001019438704 1317244783 /nfs/dbraw/zinc/24/47/83/1317244783.db2.gz SCXAXUNGUAHPRJ-QAPCUYQASA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000900436556 1317289522 /nfs/dbraw/zinc/28/95/22/1317289522.db2.gz KYNQTDJLBQGCAN-KRWDZBQOSA-N 2 2 347.528 3.047 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000900436556 1317289527 /nfs/dbraw/zinc/28/95/27/1317289527.db2.gz KYNQTDJLBQGCAN-KRWDZBQOSA-N 2 2 347.528 3.047 20 0 EGADLP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000806134084 1317463097 /nfs/dbraw/zinc/46/30/97/1317463097.db2.gz GRPCOLZLQMOPMC-DZGCQCFKSA-N 2 2 325.334 3.072 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000957618658 1317500623 /nfs/dbraw/zinc/50/06/23/1317500623.db2.gz DDIRWFWQWWZCKA-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000957618658 1317500627 /nfs/dbraw/zinc/50/06/27/1317500627.db2.gz DDIRWFWQWWZCKA-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514779 1317584847 /nfs/dbraw/zinc/58/48/47/1317584847.db2.gz PUHJKXGNVUKHQF-YPMHNXCESA-N 2 2 334.407 3.155 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1cn(C)nn1 ZINC000902802449 1317618681 /nfs/dbraw/zinc/61/86/81/1317618681.db2.gz NSNJWJDZIGXJCR-INIZCTEOSA-N 2 2 327.476 3.042 20 0 EGADLP C[N@H+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643494 /nfs/dbraw/zinc/64/34/94/1317643494.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 3 2 327.516 3.256 20 0 EGADLP C[N@@H+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643502 /nfs/dbraw/zinc/64/35/02/1317643502.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643508 /nfs/dbraw/zinc/64/35/08/1317643508.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+](CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1 ZINC000903060473 1317643515 /nfs/dbraw/zinc/64/35/15/1317643515.db2.gz ZLSTYIVDWGHMIM-VCSGRIEYSA-N 3 2 327.516 3.256 20 0 EGADLP CCN(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccco1 ZINC000903083393 1317649778 /nfs/dbraw/zinc/64/97/78/1317649778.db2.gz GJSBWMZRRDGRSE-DQXYTYHJSA-N 2 2 331.504 3.410 20 0 EGADLP CCN(CC)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccco1 ZINC000903083393 1317649786 /nfs/dbraw/zinc/64/97/86/1317649786.db2.gz GJSBWMZRRDGRSE-DQXYTYHJSA-N 2 2 331.504 3.410 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccccn3)C3CC3)[nH+]c2)C1 ZINC000903139329 1317661292 /nfs/dbraw/zinc/66/12/92/1317661292.db2.gz GWNMJAGFWTWIAX-PXNSSMCTSA-N 2 2 337.471 3.180 20 0 EGADLP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001020388997 1317675162 /nfs/dbraw/zinc/67/51/62/1317675162.db2.gz WTMDRDGCAPSGQY-GWEOLNPGSA-N 2 2 340.471 3.011 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]Cc2cn(C)cn2)cc1C[NH+]1CCCCC1 ZINC000903351714 1317690014 /nfs/dbraw/zinc/69/00/14/1317690014.db2.gz PETUQUHHWYFPAH-MRXNPFEDSA-N 2 2 342.487 3.265 20 0 EGADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000903380830 1317693968 /nfs/dbraw/zinc/69/39/68/1317693968.db2.gz YDCBLEPGEHPPJH-FZKQIMNGSA-N 2 2 348.441 3.108 20 0 EGADLP CCOCC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000808724779 1317723150 /nfs/dbraw/zinc/72/31/50/1317723150.db2.gz JDRZRYSXCGGDFS-UHFFFAOYSA-N 2 2 333.520 3.374 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765445 1317731442 /nfs/dbraw/zinc/73/14/42/1317731442.db2.gz HIKLDJKMEUXAJO-DYVFJYSZSA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903765445 1317731444 /nfs/dbraw/zinc/73/14/44/1317731444.db2.gz HIKLDJKMEUXAJO-DYVFJYSZSA-N 2 2 341.282 3.120 20 0 EGADLP [NH3+][C@@H]1CCCCC[C@@H]1c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904088344 1317786837 /nfs/dbraw/zinc/78/68/37/1317786837.db2.gz VOEGFTBWMNNVPM-DLBZAZTESA-N 2 2 337.427 3.356 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001020637509 1317819742 /nfs/dbraw/zinc/81/97/42/1317819742.db2.gz WAXYDLCWYWVEDE-ZTFGCOKTSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000958791592 1317847477 /nfs/dbraw/zinc/84/74/77/1317847477.db2.gz UECBHGNTJLXDGA-LJQANCHMSA-N 2 2 348.450 3.072 20 0 EGADLP CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC000958796097 1317850028 /nfs/dbraw/zinc/85/00/28/1317850028.db2.gz XMLCLSDRSVCXER-LJQANCHMSA-N 2 2 337.467 3.356 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766512 1317896540 /nfs/dbraw/zinc/89/65/40/1317896540.db2.gz ZOOZCQXPRUUORV-GOEBONIOSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766512 1317896547 /nfs/dbraw/zinc/89/65/47/1317896547.db2.gz ZOOZCQXPRUUORV-GOEBONIOSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766512 1317896552 /nfs/dbraw/zinc/89/65/52/1317896552.db2.gz ZOOZCQXPRUUORV-GOEBONIOSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766512 1317896556 /nfs/dbraw/zinc/89/65/56/1317896556.db2.gz ZOOZCQXPRUUORV-GOEBONIOSA-N 2 2 348.491 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000905401579 1317955078 /nfs/dbraw/zinc/95/50/78/1317955078.db2.gz KJNCCESLUQKARH-UHFFFAOYSA-N 2 2 325.456 3.259 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000905401579 1317955082 /nfs/dbraw/zinc/95/50/82/1317955082.db2.gz KJNCCESLUQKARH-UHFFFAOYSA-N 2 2 325.456 3.259 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960718607 1318826627 /nfs/dbraw/zinc/82/66/27/1318826627.db2.gz OONCXBWHMDFFOE-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960718607 1318826635 /nfs/dbraw/zinc/82/66/35/1318826635.db2.gz OONCXBWHMDFFOE-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898711 1319038737 /nfs/dbraw/zinc/03/87/37/1319038737.db2.gz FGMCDPPUDXUMJY-MJGOQNOKSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1)n1cc[nH+]c1 ZINC000960898711 1319038743 /nfs/dbraw/zinc/03/87/43/1319038743.db2.gz FGMCDPPUDXUMJY-MJGOQNOKSA-N 2 2 344.503 3.257 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000818179773 1319512322 /nfs/dbraw/zinc/51/23/22/1319512322.db2.gz HNIDTOPGKQETND-UHFFFAOYSA-N 2 2 338.467 3.470 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000818203591 1319516969 /nfs/dbraw/zinc/51/69/69/1319516969.db2.gz HQPQGYIDPAJKSN-UHFFFAOYSA-N 2 2 338.467 3.329 20 0 EGADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc2ccccc21 ZINC000818951438 1319586462 /nfs/dbraw/zinc/58/64/62/1319586462.db2.gz FQHSMPUNJZSLKJ-FQEVSTJZSA-N 2 2 335.451 3.238 20 0 EGADLP CC(C)c1ccc(OC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000917009933 1319736811 /nfs/dbraw/zinc/73/68/11/1319736811.db2.gz OITJFIDMQDEQQQ-IBGZPJMESA-N 2 2 346.515 3.110 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000821767402 1320031022 /nfs/dbraw/zinc/03/10/22/1320031022.db2.gz MVTMPTOPVSGWQU-INIZCTEOSA-N 2 2 348.450 3.157 20 0 EGADLP CC[N@H+](CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000823753482 1320203805 /nfs/dbraw/zinc/20/38/05/1320203805.db2.gz WLUSMIAMGBMFHD-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000823753482 1320203810 /nfs/dbraw/zinc/20/38/10/1320203810.db2.gz WLUSMIAMGBMFHD-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP Clc1cnc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000823851667 1320211646 /nfs/dbraw/zinc/21/16/46/1320211646.db2.gz VFKNICSOLSLAOG-MRXNPFEDSA-N 2 2 349.862 3.214 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508155 1328881274 /nfs/dbraw/zinc/88/12/74/1328881274.db2.gz DMAGMOBGFLZEBA-RHSMWYFYSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000930508155 1328881278 /nfs/dbraw/zinc/88/12/78/1328881278.db2.gz DMAGMOBGFLZEBA-RHSMWYFYSA-N 2 2 334.423 3.128 20 0 EGADLP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747941 1321140650 /nfs/dbraw/zinc/14/06/50/1321140650.db2.gz BWHDWFZXUSVPPM-UWJYYQICSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747941 1321140655 /nfs/dbraw/zinc/14/06/55/1321140655.db2.gz BWHDWFZXUSVPPM-UWJYYQICSA-N 2 2 338.499 3.392 20 0 EGADLP Cc1cc(N)cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000841070354 1321212991 /nfs/dbraw/zinc/21/29/91/1321212991.db2.gz APRDQLZGIOAWDD-UHFFFAOYSA-N 2 2 338.499 3.402 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000841092154 1321217160 /nfs/dbraw/zinc/21/71/60/1321217160.db2.gz KIIRBPJJOKLHJG-UHFFFAOYSA-N 2 2 332.879 3.125 20 0 EGADLP Cc1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(N(C)C)[nH+]1 ZINC000841155005 1321227756 /nfs/dbraw/zinc/22/77/56/1321227756.db2.gz QLDBBIFUHUHZMU-INIZCTEOSA-N 2 2 341.459 3.058 20 0 EGADLP CCc1cc2oc(=O)cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c2cc1Cl ZINC000842475528 1321393106 /nfs/dbraw/zinc/39/31/06/1321393106.db2.gz RUDQDVIWIZNEPU-INIZCTEOSA-N 2 2 336.863 3.472 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842667748 1321415114 /nfs/dbraw/zinc/41/51/14/1321415114.db2.gz CUKGNKZQWMGLQM-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842667748 1321415116 /nfs/dbraw/zinc/41/51/16/1321415116.db2.gz CUKGNKZQWMGLQM-NSHDSACASA-N 2 2 346.700 3.319 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053850 1321462904 /nfs/dbraw/zinc/46/29/04/1321462904.db2.gz USZDFNSESSLIQF-PBHICJAKSA-N 2 2 332.879 3.393 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@@H]1[NH3+] ZINC000843053850 1321462908 /nfs/dbraw/zinc/46/29/08/1321462908.db2.gz USZDFNSESSLIQF-PBHICJAKSA-N 2 2 332.879 3.393 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843056868 1321463445 /nfs/dbraw/zinc/46/34/45/1321463445.db2.gz BFTUHERVTJRRTE-WMLDXEAASA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843056868 1321463447 /nfs/dbraw/zinc/46/34/47/1321463447.db2.gz BFTUHERVTJRRTE-WMLDXEAASA-N 2 2 346.906 3.371 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845938546 1321756171 /nfs/dbraw/zinc/75/61/71/1321756171.db2.gz VHBUDDSZIVHIDP-JCYILVPMSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845938546 1321756177 /nfs/dbraw/zinc/75/61/77/1321756177.db2.gz VHBUDDSZIVHIDP-JCYILVPMSA-N 2 2 339.524 3.144 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000859479315 1328997064 /nfs/dbraw/zinc/99/70/64/1328997064.db2.gz FJHOIQWEJQPFMK-IRXDYDNUSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000859479315 1328997068 /nfs/dbraw/zinc/99/70/68/1328997068.db2.gz FJHOIQWEJQPFMK-IRXDYDNUSA-N 2 2 339.524 3.048 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)NC(=O)OC(C)(C)C ZINC000848568762 1321978165 /nfs/dbraw/zinc/97/81/65/1321978165.db2.gz QGSBLOITFGCHLW-YVSFHVDLSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)NC(=O)OC(C)(C)C ZINC000848568762 1321978167 /nfs/dbraw/zinc/97/81/67/1321978167.db2.gz QGSBLOITFGCHLW-YVSFHVDLSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000859479315 1328997071 /nfs/dbraw/zinc/99/70/71/1328997071.db2.gz FJHOIQWEJQPFMK-IRXDYDNUSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000859479315 1328997076 /nfs/dbraw/zinc/99/70/76/1328997076.db2.gz FJHOIQWEJQPFMK-IRXDYDNUSA-N 2 2 339.524 3.048 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccco1 ZINC000849051626 1322059537 /nfs/dbraw/zinc/05/95/37/1322059537.db2.gz RJDPHKSPVULVSU-DOTOQJQBSA-N 2 2 328.460 3.065 20 0 EGADLP CC[C@@H](C)[NH2+][C@@H](CNC(=[NH2+])NCCc1ccccc1)c1ccco1 ZINC000849051630 1322060021 /nfs/dbraw/zinc/06/00/21/1322060021.db2.gz RJDPHKSPVULVSU-WBVHZDCISA-N 2 2 328.460 3.065 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000849056205 1322060856 /nfs/dbraw/zinc/06/08/56/1322060856.db2.gz ZZRGAAZPMMLTSC-GOSISDBHSA-N 2 2 328.435 3.051 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000850556795 1322266430 /nfs/dbraw/zinc/26/64/30/1322266430.db2.gz MCRZNEXBSWVRNP-ZFWWWQNUSA-N 2 2 338.879 3.253 20 0 EGADLP Cc1nn(C)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1Cl ZINC000921501319 1322330127 /nfs/dbraw/zinc/33/01/27/1322330127.db2.gz JLZNDUYIELVGPV-UHFFFAOYSA-N 2 2 332.879 3.268 20 0 EGADLP c1cn(C[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)c2ccccc2)c[nH+]1 ZINC000922334658 1322504451 /nfs/dbraw/zinc/50/44/51/1322504451.db2.gz FBGRMEUFWJNBEP-FQEVSTJZSA-N 2 2 335.455 3.411 20 0 EGADLP CC1(C(=O)OCc2ccc[nH+]c2N)CC[NH+](Cc2ccccc2)CC1 ZINC000922621505 1322572900 /nfs/dbraw/zinc/57/29/00/1322572900.db2.gz NWYRICIRDBTQLD-UHFFFAOYSA-N 2 2 339.439 3.009 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncco1 ZINC000924608420 1323072889 /nfs/dbraw/zinc/07/28/89/1323072889.db2.gz AYQAJCPXLUEKBR-XHSDSOJGSA-N 2 2 329.444 3.135 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncco1 ZINC000924608420 1323072898 /nfs/dbraw/zinc/07/28/98/1323072898.db2.gz AYQAJCPXLUEKBR-XHSDSOJGSA-N 2 2 329.444 3.135 20 0 EGADLP CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001024040471 1323092672 /nfs/dbraw/zinc/09/26/72/1323092672.db2.gz HWTBYIXYVAUHCL-PCKAHOCUSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c2ncnn21 ZINC000924677599 1323108765 /nfs/dbraw/zinc/10/87/65/1323108765.db2.gz ZKHFSVBLNLTSAM-VQIMIIECSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730233 1323137684 /nfs/dbraw/zinc/13/76/84/1323137684.db2.gz MGGZLYTYBZJZKQ-MRXNPFEDSA-N 2 2 341.503 3.430 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730233 1323137689 /nfs/dbraw/zinc/13/76/89/1323137689.db2.gz MGGZLYTYBZJZKQ-MRXNPFEDSA-N 2 2 341.503 3.430 20 0 EGADLP O[C@H](C[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1)C[NH+]1CCCC1 ZINC000924754835 1323146681 /nfs/dbraw/zinc/14/66/81/1323146681.db2.gz HKRKHYZOPBYGJV-IEBWSBKVSA-N 2 2 348.874 3.263 20 0 EGADLP O[C@@H](C[NH2+][C@H](Cc1ccccc1Cl)c1ccoc1)C[NH+]1CCCC1 ZINC000924754838 1323146781 /nfs/dbraw/zinc/14/67/81/1323146781.db2.gz HKRKHYZOPBYGJV-PKOBYXMFSA-N 2 2 348.874 3.263 20 0 EGADLP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582010 1324421738 /nfs/dbraw/zinc/42/17/38/1324421738.db2.gz MSQNDTSEXLZLMD-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582010 1324421740 /nfs/dbraw/zinc/42/17/40/1324421740.db2.gz MSQNDTSEXLZLMD-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCC4)[C@H]3C2)c(C)[nH+]1 ZINC001026317237 1324721208 /nfs/dbraw/zinc/72/12/08/1324721208.db2.gz KUNWLXPBOWVBSD-GBESFXJTSA-N 2 2 341.499 3.247 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000925596798 1325227567 /nfs/dbraw/zinc/22/75/67/1325227567.db2.gz WPGDMECEBMIYHR-LPHOPBHVSA-N 2 2 334.467 3.315 20 0 EGADLP CN1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925631102 1325239861 /nfs/dbraw/zinc/23/98/61/1325239861.db2.gz UQPNCRKRJALJHQ-XOKHGSTOSA-N 2 2 339.886 3.202 20 0 EGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000925673249 1325258082 /nfs/dbraw/zinc/25/80/82/1325258082.db2.gz BRKWOTMNTBEIKL-PHDAOHEYSA-N 3 2 330.863 3.131 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C2CCC([NH2+]CC3CC3)CC2)c(C)[nH+]1 ZINC000963707417 1325379505 /nfs/dbraw/zinc/37/95/05/1325379505.db2.gz VZHAGCFMZFETKA-UHFFFAOYSA-N 2 2 329.488 3.390 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000926111298 1325432375 /nfs/dbraw/zinc/43/23/75/1325432375.db2.gz BZOWAXHMFNTPDY-AOIWGVFYSA-N 2 2 341.503 3.420 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000926111298 1325432380 /nfs/dbraw/zinc/43/23/80/1325432380.db2.gz BZOWAXHMFNTPDY-AOIWGVFYSA-N 2 2 341.503 3.420 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000926325384 1325515867 /nfs/dbraw/zinc/51/58/67/1325515867.db2.gz LRQOYLRYKCIESO-FUHWJXTLSA-N 2 2 325.456 3.263 20 0 EGADLP COc1ccnc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000926325384 1325515875 /nfs/dbraw/zinc/51/58/75/1325515875.db2.gz LRQOYLRYKCIESO-FUHWJXTLSA-N 2 2 325.456 3.263 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1cccc(OC)c1 ZINC000926693872 1327669918 /nfs/dbraw/zinc/66/99/18/1327669918.db2.gz NZKWIAZSHHWKHG-FQEVSTJZSA-N 2 2 334.504 3.483 20 0 EGADLP CC1([NH+]2CCC2)CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000927036816 1327826755 /nfs/dbraw/zinc/82/67/55/1327826755.db2.gz GQSUQVKSBDSMPS-UHFFFAOYSA-N 3 2 328.504 3.047 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059321 1327835596 /nfs/dbraw/zinc/83/55/96/1327835596.db2.gz DIRZASILMBFKTH-LSTHTHJFSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059321 1327835599 /nfs/dbraw/zinc/83/55/99/1327835599.db2.gz DIRZASILMBFKTH-LSTHTHJFSA-N 2 2 336.483 3.354 20 0 EGADLP Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001027969570 1328442302 /nfs/dbraw/zinc/44/23/02/1328442302.db2.gz PPQQXEBTAMBLFX-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001027969570 1328442304 /nfs/dbraw/zinc/44/23/04/1328442304.db2.gz PPQQXEBTAMBLFX-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP CN(C)CC[NH2+]Cc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000863690204 1329575457 /nfs/dbraw/zinc/57/54/57/1329575457.db2.gz MSMBISNIGZZXFD-UHFFFAOYSA-N 2 2 334.467 3.250 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134873 1329787096 /nfs/dbraw/zinc/78/70/96/1329787096.db2.gz FNHNUJIPGMSIIQ-GOSISDBHSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134873 1329787098 /nfs/dbraw/zinc/78/70/98/1329787098.db2.gz FNHNUJIPGMSIIQ-GOSISDBHSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C[C@@H]2C)c[nH+]1 ZINC000942180749 1331864198 /nfs/dbraw/zinc/86/41/98/1331864198.db2.gz JGPAWAZANHDCSC-DOTOQJQBSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C[C@@H]2C)c[nH+]1 ZINC000942180749 1331864202 /nfs/dbraw/zinc/86/42/02/1331864202.db2.gz JGPAWAZANHDCSC-DOTOQJQBSA-N 2 2 348.535 3.189 20 0 EGADLP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183153 1331864923 /nfs/dbraw/zinc/86/49/23/1331864923.db2.gz GMPFIAMXZHERPS-GOEBONIOSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183153 1331864926 /nfs/dbraw/zinc/86/49/26/1331864926.db2.gz GMPFIAMXZHERPS-GOEBONIOSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183492 1331865931 /nfs/dbraw/zinc/86/59/31/1331865931.db2.gz HYOMPKQZOIURSQ-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183492 1331865936 /nfs/dbraw/zinc/86/59/36/1331865936.db2.gz HYOMPKQZOIURSQ-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806135 1332678135 /nfs/dbraw/zinc/67/81/35/1332678135.db2.gz AYEDDCXYEWYSKF-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CCCCCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806135 1332678140 /nfs/dbraw/zinc/67/81/40/1332678140.db2.gz AYEDDCXYEWYSKF-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@H+](C(C)C)C[C@H]3CC2)c(C)[nH+]1 ZINC000946688676 1332877729 /nfs/dbraw/zinc/87/77/29/1332877729.db2.gz YXBWVHMQSTYLNI-HDICACEKSA-N 2 2 329.488 3.199 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@@H+](C(C)C)C[C@H]3CC2)c(C)[nH+]1 ZINC000946688676 1332877731 /nfs/dbraw/zinc/87/77/31/1332877731.db2.gz YXBWVHMQSTYLNI-HDICACEKSA-N 2 2 329.488 3.199 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803639 1332902818 /nfs/dbraw/zinc/90/28/18/1332902818.db2.gz OSIRCYSXAYTGSW-ZSYWTGECSA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803639 1332902819 /nfs/dbraw/zinc/90/28/19/1332902819.db2.gz OSIRCYSXAYTGSW-ZSYWTGECSA-N 2 2 346.519 3.051 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCC4CC4)[C@@H](C)C3)ccn12 ZINC000947313828 1333085108 /nfs/dbraw/zinc/08/51/08/1333085108.db2.gz CVFKBZRWKDAMEN-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCC4CC4)[C@@H](C)C3)ccn12 ZINC000947313828 1333085112 /nfs/dbraw/zinc/08/51/12/1333085112.db2.gz CVFKBZRWKDAMEN-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947440802 1333128057 /nfs/dbraw/zinc/12/80/57/1333128057.db2.gz DCHYXKUEQQZRHY-NVXWUHKLSA-N 2 2 347.503 3.038 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC000947440802 1333128058 /nfs/dbraw/zinc/12/80/58/1333128058.db2.gz DCHYXKUEQQZRHY-NVXWUHKLSA-N 2 2 347.503 3.038 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947979119 1333330514 /nfs/dbraw/zinc/33/05/14/1333330514.db2.gz AXBVCIUHIJXRIN-MAUKXSAKSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947979119 1333330516 /nfs/dbraw/zinc/33/05/16/1333330516.db2.gz AXBVCIUHIJXRIN-MAUKXSAKSA-N 2 2 344.503 3.120 20 0 EGADLP C[C@@H]1CC[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702858 1336017601 /nfs/dbraw/zinc/01/76/01/1336017601.db2.gz POVCCKATEXDVNN-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1CC[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702858 1336017604 /nfs/dbraw/zinc/01/76/04/1336017604.db2.gz POVCCKATEXDVNN-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969024097 1336120900 /nfs/dbraw/zinc/12/09/00/1336120900.db2.gz YQUDWAURRPNMEH-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969024097 1336120904 /nfs/dbraw/zinc/12/09/04/1336120904.db2.gz YQUDWAURRPNMEH-IRXDYDNUSA-N 2 2 346.519 3.237 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C)C2)c(C)[nH+]1 ZINC000969408034 1336207712 /nfs/dbraw/zinc/20/77/12/1336207712.db2.gz DEFDDOBRHBRZIE-LJQANCHMSA-N 2 2 337.467 3.320 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001007593114 1336673240 /nfs/dbraw/zinc/67/32/40/1336673240.db2.gz CPVBHDSBFAIDSO-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001007593114 1336673241 /nfs/dbraw/zinc/67/32/41/1336673241.db2.gz CPVBHDSBFAIDSO-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513462 1337033005 /nfs/dbraw/zinc/03/30/05/1337033005.db2.gz GDWKISRGEITGJU-QAPCUYQASA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513462 1337033007 /nfs/dbraw/zinc/03/30/07/1337033007.db2.gz GDWKISRGEITGJU-QAPCUYQASA-N 2 2 349.906 3.077 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206808219 1371175706 /nfs/dbraw/zinc/17/57/06/1371175706.db2.gz JWPHNUYQOGGXRP-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)ccc1Br ZINC001206808219 1371175713 /nfs/dbraw/zinc/17/57/13/1371175713.db2.gz JWPHNUYQOGGXRP-JSGCOSHPSA-N 2 2 341.293 3.407 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015427670 1338137235 /nfs/dbraw/zinc/13/72/35/1338137235.db2.gz YLBBUJYTWWCETD-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001015427670 1338137237 /nfs/dbraw/zinc/13/72/37/1338137237.db2.gz YLBBUJYTWWCETD-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001029124184 1340935807 /nfs/dbraw/zinc/93/58/07/1340935807.db2.gz FSYWOSSCYNWKEA-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1 ZINC001030956035 1341255795 /nfs/dbraw/zinc/25/57/95/1341255795.db2.gz QPUIZQKHACSONV-IRXDYDNUSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1 ZINC001030956035 1341255798 /nfs/dbraw/zinc/25/57/98/1341255798.db2.gz QPUIZQKHACSONV-IRXDYDNUSA-N 2 2 343.515 3.156 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032632644 1341565047 /nfs/dbraw/zinc/56/50/47/1341565047.db2.gz FRTAWCYUAZHVAX-XSWJXKHESA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001032632644 1341565048 /nfs/dbraw/zinc/56/50/48/1341565048.db2.gz FRTAWCYUAZHVAX-XSWJXKHESA-N 2 2 349.906 3.026 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839641 1341630901 /nfs/dbraw/zinc/63/09/01/1341630901.db2.gz RRGASMMUBOIOSI-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001032839641 1341630902 /nfs/dbraw/zinc/63/09/02/1341630902.db2.gz RRGASMMUBOIOSI-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001032839641 1341630903 /nfs/dbraw/zinc/63/09/03/1341630903.db2.gz RRGASMMUBOIOSI-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001032839641 1341630905 /nfs/dbraw/zinc/63/09/05/1341630905.db2.gz RRGASMMUBOIOSI-QGTPRVQTSA-N 2 2 349.906 3.076 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033162797 1341741821 /nfs/dbraw/zinc/74/18/21/1341741821.db2.gz CSWSFTZJNZNENP-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033162797 1341741825 /nfs/dbraw/zinc/74/18/25/1341741825.db2.gz CSWSFTZJNZNENP-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033162797 1341741826 /nfs/dbraw/zinc/74/18/26/1341741826.db2.gz CSWSFTZJNZNENP-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033162797 1341741829 /nfs/dbraw/zinc/74/18/29/1341741829.db2.gz CSWSFTZJNZNENP-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033190608 1341748306 /nfs/dbraw/zinc/74/83/06/1341748306.db2.gz CHMAQSKXBDSJRJ-HNNXBMFYSA-N 2 2 328.460 3.145 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033190608 1341748307 /nfs/dbraw/zinc/74/83/07/1341748307.db2.gz CHMAQSKXBDSJRJ-HNNXBMFYSA-N 2 2 328.460 3.145 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192396 1341748724 /nfs/dbraw/zinc/74/87/24/1341748724.db2.gz QZHMHYDCZMYGJM-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033192396 1341748725 /nfs/dbraw/zinc/74/87/25/1341748725.db2.gz QZHMHYDCZMYGJM-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299209 1341770528 /nfs/dbraw/zinc/77/05/28/1341770528.db2.gz ARGFNJVZZGANRW-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299209 1341770529 /nfs/dbraw/zinc/77/05/29/1341770529.db2.gz ARGFNJVZZGANRW-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036261744 1343383899 /nfs/dbraw/zinc/38/38/99/1343383899.db2.gz DRGHDUYWKWRJRL-NVXWUHKLSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001036452697 1343495434 /nfs/dbraw/zinc/49/54/34/1343495434.db2.gz ADABCFGJZIYHAU-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039685378 1345158495 /nfs/dbraw/zinc/15/84/95/1345158495.db2.gz LEQMCCUXQJLRHB-ZCNNSNEGSA-N 2 2 345.531 3.036 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001039685378 1345158500 /nfs/dbraw/zinc/15/85/00/1345158500.db2.gz LEQMCCUXQJLRHB-ZCNNSNEGSA-N 2 2 345.531 3.036 20 0 EGADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001039685378 1345158505 /nfs/dbraw/zinc/15/85/05/1345158505.db2.gz LEQMCCUXQJLRHB-ZCNNSNEGSA-N 2 2 345.531 3.036 20 0 EGADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001039685378 1345158509 /nfs/dbraw/zinc/15/85/09/1345158509.db2.gz LEQMCCUXQJLRHB-ZCNNSNEGSA-N 2 2 345.531 3.036 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042312931 1346028691 /nfs/dbraw/zinc/02/86/91/1346028691.db2.gz GNKUTVJECGYELY-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042312931 1346028694 /nfs/dbraw/zinc/02/86/94/1346028694.db2.gz GNKUTVJECGYELY-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001044337076 1346302089 /nfs/dbraw/zinc/30/20/89/1346302089.db2.gz CEBJBYIVRRKYKR-YLJYHZDGSA-N 2 2 343.515 3.073 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001044337076 1346302091 /nfs/dbraw/zinc/30/20/91/1346302091.db2.gz CEBJBYIVRRKYKR-YLJYHZDGSA-N 2 2 343.515 3.073 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628744 1346387044 /nfs/dbraw/zinc/38/70/44/1346387044.db2.gz XYHANLRXBHGBFE-WMZOPIPTSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628744 1346387047 /nfs/dbraw/zinc/38/70/47/1346387047.db2.gz XYHANLRXBHGBFE-WMZOPIPTSA-N 2 2 344.503 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001044841890 1346442734 /nfs/dbraw/zinc/44/27/34/1346442734.db2.gz OHRIKMSLUUCAGI-YJBOKZPZSA-N 2 2 346.519 3.200 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044878670 1346452944 /nfs/dbraw/zinc/45/29/44/1346452944.db2.gz MSEJQLWDAARLPU-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001045856294 1346722387 /nfs/dbraw/zinc/72/23/87/1346722387.db2.gz GOJXYZOFRQAAEL-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001045856294 1346722389 /nfs/dbraw/zinc/72/23/89/1346722389.db2.gz GOJXYZOFRQAAEL-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969835 1346805355 /nfs/dbraw/zinc/80/53/55/1346805355.db2.gz ZZDNXGJBYCYTGA-ICSRJNTNSA-N 2 2 346.519 3.339 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001045969835 1346805359 /nfs/dbraw/zinc/80/53/59/1346805359.db2.gz ZZDNXGJBYCYTGA-ICSRJNTNSA-N 2 2 346.519 3.339 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980465 1346817248 /nfs/dbraw/zinc/81/72/48/1346817248.db2.gz ZMRAANMZZWLFOM-FQEVSTJZSA-N 2 2 346.519 3.192 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001045980465 1346817250 /nfs/dbraw/zinc/81/72/50/1346817250.db2.gz ZMRAANMZZWLFOM-FQEVSTJZSA-N 2 2 346.519 3.192 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045986806 1346828527 /nfs/dbraw/zinc/82/85/27/1346828527.db2.gz AVISAKMQNHCKBP-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001045986806 1346828530 /nfs/dbraw/zinc/82/85/30/1346828530.db2.gz AVISAKMQNHCKBP-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CCCC2CCC2)C1 ZINC001046416047 1346967751 /nfs/dbraw/zinc/96/77/51/1346967751.db2.gz VKNMBPZUFOUEHH-FQEVSTJZSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CCCC2CCC2)C1 ZINC001046416047 1346967764 /nfs/dbraw/zinc/96/77/64/1346967764.db2.gz VKNMBPZUFOUEHH-FQEVSTJZSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001048041895 1347449047 /nfs/dbraw/zinc/44/90/47/1347449047.db2.gz ZFZIEKCLHXXLPP-NVXWUHKLSA-N 2 2 344.503 3.014 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048297857 1347512595 /nfs/dbraw/zinc/51/25/95/1347512595.db2.gz PTLGNMPBUYMVLT-RHSMWYFYSA-N 2 2 340.471 3.051 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553216 1347905756 /nfs/dbraw/zinc/90/57/56/1347905756.db2.gz UDTSOVVJRFTQSE-MSOLQXFVSA-N 2 2 326.444 3.042 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049553216 1347905757 /nfs/dbraw/zinc/90/57/57/1347905757.db2.gz UDTSOVVJRFTQSE-MSOLQXFVSA-N 2 2 326.444 3.042 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052379729 1348536153 /nfs/dbraw/zinc/53/61/53/1348536153.db2.gz QZIYVXYSXGKNDE-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP CCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052379729 1348536155 /nfs/dbraw/zinc/53/61/55/1348536155.db2.gz QZIYVXYSXGKNDE-KRWDZBQOSA-N 2 2 328.460 3.027 20 0 EGADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001052555134 1348577857 /nfs/dbraw/zinc/57/78/57/1348577857.db2.gz PDNNJIVTZYJYJU-GOSISDBHSA-N 2 2 348.450 3.119 20 0 EGADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001052555134 1348577859 /nfs/dbraw/zinc/57/78/59/1348577859.db2.gz PDNNJIVTZYJYJU-GOSISDBHSA-N 2 2 348.450 3.119 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824121 1348691171 /nfs/dbraw/zinc/69/11/71/1348691171.db2.gz UZMRJGRKIGAUFM-QZTJIDSGSA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824121 1348691173 /nfs/dbraw/zinc/69/11/73/1348691173.db2.gz UZMRJGRKIGAUFM-QZTJIDSGSA-N 2 2 340.471 3.074 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036508 1348836685 /nfs/dbraw/zinc/83/66/85/1348836685.db2.gz MAYCWIFWIGWION-MOPGFXCFSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036508 1348836689 /nfs/dbraw/zinc/83/66/89/1348836689.db2.gz MAYCWIFWIGWION-MOPGFXCFSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087590 1348912030 /nfs/dbraw/zinc/91/20/30/1348912030.db2.gz MMQGMARWKIVOPK-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087590 1348912032 /nfs/dbraw/zinc/91/20/32/1348912032.db2.gz MMQGMARWKIVOPK-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087590 1348912035 /nfs/dbraw/zinc/91/20/35/1348912035.db2.gz MMQGMARWKIVOPK-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087590 1348912038 /nfs/dbraw/zinc/91/20/38/1348912038.db2.gz MMQGMARWKIVOPK-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001183065396 1387257688 /nfs/dbraw/zinc/25/76/88/1387257688.db2.gz KQYZHZBZAKJEPO-KBXCAEBGSA-N 2 2 336.451 3.165 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001183065396 1387257690 /nfs/dbraw/zinc/25/76/90/1387257690.db2.gz KQYZHZBZAKJEPO-KBXCAEBGSA-N 2 2 336.451 3.165 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001183175532 1387272073 /nfs/dbraw/zinc/27/20/73/1387272073.db2.gz CQECJDPQRHSOCR-OXQOHEQNSA-N 2 2 348.535 3.198 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001183271703 1387289194 /nfs/dbraw/zinc/28/91/94/1387289194.db2.gz ODFVGBABUNMLSQ-APJIANLZSA-N 2 2 346.519 3.081 20 0 EGADLP CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1 ZINC001081134069 1357843960 /nfs/dbraw/zinc/84/39/60/1357843960.db2.gz NKXSEZLSPSLTDP-FXAWDEMLSA-N 2 2 348.450 3.171 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CC1CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672555 1358676612 /nfs/dbraw/zinc/67/66/12/1358676612.db2.gz AQZDGOODTKARPS-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CC1CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672555 1358676617 /nfs/dbraw/zinc/67/66/17/1358676617.db2.gz AQZDGOODTKARPS-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[N@@H+]1CC1CCCC1 ZINC001087620008 1359558063 /nfs/dbraw/zinc/55/80/63/1359558063.db2.gz NRDVQPZBEKWSLZ-ZWKOTPCHSA-N 2 2 346.519 3.086 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[N@H+]1CC1CCCC1 ZINC001087620008 1359558065 /nfs/dbraw/zinc/55/80/65/1359558065.db2.gz NRDVQPZBEKWSLZ-ZWKOTPCHSA-N 2 2 346.519 3.086 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001323636080 1387413205 /nfs/dbraw/zinc/41/32/05/1387413205.db2.gz BSXLVKUZHNRERO-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001323636080 1387413208 /nfs/dbraw/zinc/41/32/08/1387413208.db2.gz BSXLVKUZHNRERO-LJQANCHMSA-N 2 2 346.519 3.024 20 0 EGADLP CCC[NH2+][C@H]1CCCCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001088407792 1359879108 /nfs/dbraw/zinc/87/91/08/1359879108.db2.gz FJRZZAPGXYITSM-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001088419827 1359889971 /nfs/dbraw/zinc/88/99/71/1359889971.db2.gz ZTQFQAONAUKJDZ-KRWDZBQOSA-N 2 2 346.519 3.058 20 0 EGADLP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399711 1387448718 /nfs/dbraw/zinc/44/87/18/1387448718.db2.gz MAYCTLZYUWHVLQ-MAUKXSAKSA-N 2 2 342.487 3.131 20 0 EGADLP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001184399713 1387448998 /nfs/dbraw/zinc/44/89/98/1387448998.db2.gz MAYCTLZYUWHVLQ-YJBOKZPZSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC(C)(C)C2)c[nH+]1 ZINC001089416059 1360410091 /nfs/dbraw/zinc/41/00/91/1360410091.db2.gz GFQFISQUJRDSJF-KRWDZBQOSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CC(C)C)CC(C)(C)C2)c[nH+]1 ZINC001089416059 1360410095 /nfs/dbraw/zinc/41/00/95/1360410095.db2.gz GFQFISQUJRDSJF-KRWDZBQOSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CC(C)C)CC(C)(C)C2)c[nH+]1 ZINC001089416060 1360410362 /nfs/dbraw/zinc/41/03/62/1360410362.db2.gz GFQFISQUJRDSJF-QGZVFWFLSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CC(C)C)CC(C)(C)C2)c[nH+]1 ZINC001089416060 1360410363 /nfs/dbraw/zinc/41/03/63/1360410363.db2.gz GFQFISQUJRDSJF-QGZVFWFLSA-N 2 2 348.535 3.189 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658117 1360569864 /nfs/dbraw/zinc/56/98/64/1360569864.db2.gz IDACXVIEJILPME-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658117 1360569865 /nfs/dbraw/zinc/56/98/65/1360569865.db2.gz IDACXVIEJILPME-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001089675878 1360584430 /nfs/dbraw/zinc/58/44/30/1360584430.db2.gz SMARJTIQYLWJAI-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001089675878 1360584433 /nfs/dbraw/zinc/58/44/33/1360584433.db2.gz SMARJTIQYLWJAI-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2CC([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001091154615 1360998839 /nfs/dbraw/zinc/99/88/39/1360998839.db2.gz IYDZFZALMSHCCH-UHFFFAOYSA-N 2 2 337.467 3.305 20 0 EGADLP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001184797756 1387542283 /nfs/dbraw/zinc/54/22/83/1387542283.db2.gz FMERUKDJCZGVRB-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001098820211 1363481726 /nfs/dbraw/zinc/48/17/26/1363481726.db2.gz GOAKLXBRILGFDO-APWZRJJASA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264580 1363723106 /nfs/dbraw/zinc/72/31/06/1363723106.db2.gz VOSPCVIIYUQJOC-AEFFLSMTSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001099264580 1363723110 /nfs/dbraw/zinc/72/31/10/1363723110.db2.gz VOSPCVIIYUQJOC-AEFFLSMTSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264580 1363723112 /nfs/dbraw/zinc/72/31/12/1363723112.db2.gz VOSPCVIIYUQJOC-AEFFLSMTSA-N 2 2 346.519 3.161 20 0 EGADLP CC(C)=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001099264580 1363723116 /nfs/dbraw/zinc/72/31/16/1363723116.db2.gz VOSPCVIIYUQJOC-AEFFLSMTSA-N 2 2 346.519 3.161 20 0 EGADLP CCCCC[NH2+]C1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001100428910 1364110221 /nfs/dbraw/zinc/11/02/21/1364110221.db2.gz RUULQUFKLAEMIN-ABHNRTSZSA-N 2 2 334.508 3.145 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001100441260 1364116047 /nfs/dbraw/zinc/11/60/47/1364116047.db2.gz JEEWCZNDVGSEHU-BQYQJAHWSA-N 2 2 346.519 3.157 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100747321 1364245481 /nfs/dbraw/zinc/24/54/81/1364245481.db2.gz GTGXTNPVKYHYIG-FAEJEUNOSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100747321 1364245482 /nfs/dbraw/zinc/24/54/82/1364245482.db2.gz GTGXTNPVKYHYIG-FAEJEUNOSA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546838 1364611049 /nfs/dbraw/zinc/61/10/49/1364611049.db2.gz SZBBFFKLFDJNPD-UHFFFAOYSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546838 1364611053 /nfs/dbraw/zinc/61/10/53/1364611053.db2.gz SZBBFFKLFDJNPD-UHFFFAOYSA-N 2 2 346.519 3.163 20 0 EGADLP CC/C=C\CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598509 1364648925 /nfs/dbraw/zinc/64/89/25/1364648925.db2.gz ROOYZBBJIOODQS-WAYWQWQTSA-N 2 2 346.519 3.094 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103136773 1365401704 /nfs/dbraw/zinc/40/17/04/1365401704.db2.gz RAIRUCSUSOUJPA-LZLYRXPVSA-N 2 2 348.535 3.047 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103136773 1365401705 /nfs/dbraw/zinc/40/17/05/1365401705.db2.gz RAIRUCSUSOUJPA-LZLYRXPVSA-N 2 2 348.535 3.047 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468897 1366040764 /nfs/dbraw/zinc/04/07/64/1366040764.db2.gz UTPVYJJVHLFQEN-IPMKNSEASA-N 2 2 348.535 3.030 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710575 1366778231 /nfs/dbraw/zinc/77/82/31/1366778231.db2.gz MLWLWJWLTJEHPA-ZHALLVOQSA-N 2 2 346.519 3.099 20 0 EGADLP CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384441 1366948722 /nfs/dbraw/zinc/94/87/22/1366948722.db2.gz FJMZNMLCRNIQKM-YLJYHZDGSA-N 2 2 346.519 3.283 20 0 EGADLP CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107384441 1366948726 /nfs/dbraw/zinc/94/87/26/1366948726.db2.gz FJMZNMLCRNIQKM-YLJYHZDGSA-N 2 2 346.519 3.283 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107385899 1366948923 /nfs/dbraw/zinc/94/89/23/1366948923.db2.gz ATJAFAHWQUVFBW-OXQOHEQNSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107385899 1366948924 /nfs/dbraw/zinc/94/89/24/1366948924.db2.gz ATJAFAHWQUVFBW-OXQOHEQNSA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573441 1367050657 /nfs/dbraw/zinc/05/06/57/1367050657.db2.gz BAGQOTYVNNNEQW-ILZDJORESA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107573441 1367050661 /nfs/dbraw/zinc/05/06/61/1367050661.db2.gz BAGQOTYVNNNEQW-ILZDJORESA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573441 1367050667 /nfs/dbraw/zinc/05/06/67/1367050667.db2.gz BAGQOTYVNNNEQW-ILZDJORESA-N 2 2 346.519 3.139 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001107573441 1367050670 /nfs/dbraw/zinc/05/06/70/1367050670.db2.gz BAGQOTYVNNNEQW-ILZDJORESA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487358 1367275468 /nfs/dbraw/zinc/27/54/68/1367275468.db2.gz YBFMVOPQVSVJMY-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001190487358 1367275470 /nfs/dbraw/zinc/27/54/70/1367275470.db2.gz YBFMVOPQVSVJMY-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816796 1367358551 /nfs/dbraw/zinc/35/85/51/1367358551.db2.gz GJCWTEQLWCORJA-QZTJIDSGSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001190816796 1367358557 /nfs/dbraw/zinc/35/85/57/1367358557.db2.gz GJCWTEQLWCORJA-QZTJIDSGSA-N 2 2 348.535 3.439 20 0 EGADLP CCC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192916 1367558034 /nfs/dbraw/zinc/55/80/34/1367558034.db2.gz IXMKCXVNOPMDSN-AFUKVVIOSA-N 2 2 344.503 3.131 20 0 EGADLP CCC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192916 1367558038 /nfs/dbraw/zinc/55/80/38/1367558038.db2.gz IXMKCXVNOPMDSN-AFUKVVIOSA-N 2 2 344.503 3.131 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198367976 1369016637 /nfs/dbraw/zinc/01/66/37/1369016637.db2.gz HQAIMQKCKYRJTH-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198367976 1369016638 /nfs/dbraw/zinc/01/66/38/1369016638.db2.gz HQAIMQKCKYRJTH-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[NH+](CC2CCCCC2)CC1)n1cc[nH+]c1 ZINC001112991408 1369126185 /nfs/dbraw/zinc/12/61/85/1369126185.db2.gz LRJFIINADOOPIG-LJQANCHMSA-N 2 2 346.519 3.195 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001200346672 1369351200 /nfs/dbraw/zinc/35/12/00/1369351200.db2.gz QJMWHXIUHIKEOY-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001200346672 1369351206 /nfs/dbraw/zinc/35/12/06/1369351206.db2.gz QJMWHXIUHIKEOY-HZPDHXFCSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355953 1369367095 /nfs/dbraw/zinc/36/70/95/1369367095.db2.gz YPHMIWGWBQQXDE-MRXNPFEDSA-N 2 2 349.494 3.009 20 0 EGADLP C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355953 1369367096 /nfs/dbraw/zinc/36/70/96/1369367096.db2.gz YPHMIWGWBQQXDE-MRXNPFEDSA-N 2 2 349.494 3.009 20 0 EGADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC001113444973 1369433837 /nfs/dbraw/zinc/43/38/37/1369433837.db2.gz RSKYWVBLTYWUSZ-GOSISDBHSA-N 2 2 345.531 3.357 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]CCCC(C)(C)C)CC2)c[nH+]1 ZINC001201224617 1369499367 /nfs/dbraw/zinc/49/93/67/1369499367.db2.gz ZZTXKXDYUCHKGU-UHFFFAOYSA-N 2 2 348.535 3.334 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1)[C@@H]2C ZINC001201598732 1369586377 /nfs/dbraw/zinc/58/63/77/1369586377.db2.gz SVUFZXXWQSCVGI-QGZVFWFLSA-N 2 2 326.488 3.343 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccccc1)[C@@H]2C ZINC001201598732 1369586378 /nfs/dbraw/zinc/58/63/78/1369586378.db2.gz SVUFZXXWQSCVGI-QGZVFWFLSA-N 2 2 326.488 3.343 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccccc1)[C@@H]2C ZINC001201598732 1369586383 /nfs/dbraw/zinc/58/63/83/1369586383.db2.gz SVUFZXXWQSCVGI-QGZVFWFLSA-N 2 2 326.488 3.343 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccccc1)[C@@H]2C ZINC001201598732 1369586385 /nfs/dbraw/zinc/58/63/85/1369586385.db2.gz SVUFZXXWQSCVGI-QGZVFWFLSA-N 2 2 326.488 3.343 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCC(F)(F)F)[C@H]2C ZINC001202405410 1369762072 /nfs/dbraw/zinc/76/20/72/1369762072.db2.gz SAPWSMKZENSLSK-ZDUSSCGKSA-N 2 2 332.414 3.442 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCC(F)(F)F)[C@H]2C ZINC001202405410 1369762073 /nfs/dbraw/zinc/76/20/73/1369762073.db2.gz SAPWSMKZENSLSK-ZDUSSCGKSA-N 2 2 332.414 3.442 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCC(F)(F)F)[C@H]2C ZINC001202405410 1369762076 /nfs/dbraw/zinc/76/20/76/1369762076.db2.gz SAPWSMKZENSLSK-ZDUSSCGKSA-N 2 2 332.414 3.442 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCC(F)(F)F)[C@H]2C ZINC001202405410 1369762077 /nfs/dbraw/zinc/76/20/77/1369762077.db2.gz SAPWSMKZENSLSK-ZDUSSCGKSA-N 2 2 332.414 3.442 20 0 EGADLP CCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C12CCC2 ZINC001202930882 1369928950 /nfs/dbraw/zinc/92/89/50/1369928950.db2.gz ZTRPVCFRDPBFPO-IRXDYDNUSA-N 2 2 340.471 3.073 20 0 EGADLP CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445163 1369947322 /nfs/dbraw/zinc/94/73/22/1369947322.db2.gz LEOLCMBBQFLWME-ZSYWTGECSA-N 2 2 346.519 3.097 20 0 EGADLP CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001114445163 1369947327 /nfs/dbraw/zinc/94/73/27/1369947327.db2.gz LEOLCMBBQFLWME-ZSYWTGECSA-N 2 2 346.519 3.097 20 0 EGADLP COc1ccc2c(Nc3ccc[nH+]c3N3CCOCC3)cc[nH+]c2c1 ZINC001203519890 1370153010 /nfs/dbraw/zinc/15/30/10/1370153010.db2.gz MQSVSTGSHRSTQM-UHFFFAOYSA-N 2 2 336.395 3.219 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C12CCC2 ZINC001203661982 1370207567 /nfs/dbraw/zinc/20/75/67/1370207567.db2.gz XFCGJWVSDULPKT-SJORKVTESA-N 2 2 346.519 3.104 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)c1 ZINC001203754191 1370250344 /nfs/dbraw/zinc/25/03/44/1370250344.db2.gz BMRFLFYRWLIKTN-UHFFFAOYSA-N 2 2 341.455 3.038 20 0 EGADLP COCC[N@H+](Cc1ccc(OC)c2ccccc12)C1CC[NH+](C)CC1 ZINC001203993970 1370342571 /nfs/dbraw/zinc/34/25/71/1370342571.db2.gz PNCCXHPMNKUNOX-UHFFFAOYSA-N 2 2 342.483 3.391 20 0 EGADLP COCC[N@@H+](Cc1ccc(OC)c2ccccc12)C1CC[NH+](C)CC1 ZINC001203993970 1370342579 /nfs/dbraw/zinc/34/25/79/1370342579.db2.gz PNCCXHPMNKUNOX-UHFFFAOYSA-N 2 2 342.483 3.391 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cnn(CC3CCC3)c2)[nH+]1 ZINC001204309029 1370439453 /nfs/dbraw/zinc/43/94/53/1370439453.db2.gz XHEYNWXFUILRNM-IBGZPJMESA-N 2 2 339.487 3.463 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cnn(CC3CCC3)c2)[nH+]1 ZINC001204309029 1370439456 /nfs/dbraw/zinc/43/94/56/1370439456.db2.gz XHEYNWXFUILRNM-IBGZPJMESA-N 2 2 339.487 3.463 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115566869 1370567393 /nfs/dbraw/zinc/56/73/93/1370567393.db2.gz CDGWHEBKDSYKPL-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115566869 1370567397 /nfs/dbraw/zinc/56/73/97/1370567397.db2.gz CDGWHEBKDSYKPL-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001115595322 1370596899 /nfs/dbraw/zinc/59/68/99/1370596899.db2.gz XZWFWUKUCCWEFX-UHFFFAOYSA-N 2 2 340.471 3.385 20 0 EGADLP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(F)c1 ZINC001204916943 1370605384 /nfs/dbraw/zinc/60/53/84/1370605384.db2.gz WSJVADHIOUEAAG-UHFFFAOYSA-N 2 2 329.419 3.277 20 0 EGADLP C[C@H](F)CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627384 1370620125 /nfs/dbraw/zinc/62/01/25/1370620125.db2.gz CDGSGBAELNYRNP-HNNXBMFYSA-N 2 2 346.450 3.105 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001205110699 1370653707 /nfs/dbraw/zinc/65/37/07/1370653707.db2.gz YKONMBNBAULKJU-LBPRGKRZSA-N 2 2 325.790 3.480 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)CC1 ZINC001205110699 1370653713 /nfs/dbraw/zinc/65/37/13/1370653713.db2.gz YKONMBNBAULKJU-LBPRGKRZSA-N 2 2 325.790 3.480 20 0 EGADLP C[C@H]1C[N@H+](Cc2cc3c(F)cc(F)cc3nc2Cl)C[C@H]1C[NH3+] ZINC001205151333 1370664898 /nfs/dbraw/zinc/66/48/98/1370664898.db2.gz SHECMQORVTXWRX-GXSJLCMTSA-N 2 2 325.790 3.193 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cc3c(F)cc(F)cc3nc2Cl)C[C@H]1C[NH3+] ZINC001205151333 1370664901 /nfs/dbraw/zinc/66/49/01/1370664901.db2.gz SHECMQORVTXWRX-GXSJLCMTSA-N 2 2 325.790 3.193 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205203083 1370678473 /nfs/dbraw/zinc/67/84/73/1370678473.db2.gz ZXTXOFDPRMJQPD-FOIQADDNSA-N 2 2 338.451 3.452 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205203083 1370678475 /nfs/dbraw/zinc/67/84/75/1370678475.db2.gz ZXTXOFDPRMJQPD-FOIQADDNSA-N 2 2 338.451 3.452 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CC2CCCC2)CCCCC1)n1cc[nH+]c1 ZINC001115752667 1370734270 /nfs/dbraw/zinc/73/42/70/1370734270.db2.gz NOOBVQCKLYELDZ-QGZVFWFLSA-N 2 2 346.519 3.433 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765900 1370750432 /nfs/dbraw/zinc/75/04/32/1370750432.db2.gz KYCGXIUISVVCFP-LAQIPUCWSA-N 2 2 346.519 3.353 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765900 1370750436 /nfs/dbraw/zinc/75/04/36/1370750436.db2.gz KYCGXIUISVVCFP-LAQIPUCWSA-N 2 2 346.519 3.353 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cn(C)c2ccccc12 ZINC001116071290 1370832018 /nfs/dbraw/zinc/83/20/18/1370832018.db2.gz XQIFRBHQEGHKCP-UHFFFAOYSA-N 2 2 331.379 3.320 20 0 EGADLP Cc1ccc(C)c2nc(Cl)c(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)cc12 ZINC001205687913 1370843530 /nfs/dbraw/zinc/84/35/30/1370843530.db2.gz BVEHCYWSNVWQOR-IBGZPJMESA-N 2 2 347.890 3.181 20 0 EGADLP Cc1ccc(C)c2nc(Cl)c(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)cc12 ZINC001205687913 1370843534 /nfs/dbraw/zinc/84/35/34/1370843534.db2.gz BVEHCYWSNVWQOR-IBGZPJMESA-N 2 2 347.890 3.181 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)CCC1(F)F ZINC001205789152 1370871422 /nfs/dbraw/zinc/87/14/22/1370871422.db2.gz WZNRRGPRUMQJER-HNNXBMFYSA-N 2 2 335.373 3.304 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3)nc2)CCC1(F)F ZINC001205789152 1370871429 /nfs/dbraw/zinc/87/14/29/1370871429.db2.gz WZNRRGPRUMQJER-HNNXBMFYSA-N 2 2 335.373 3.304 20 0 EGADLP COc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856263 1370893626 /nfs/dbraw/zinc/89/36/26/1370893626.db2.gz UGUFLDGFIVRDHV-PBHICJAKSA-N 2 2 329.488 3.472 20 0 EGADLP COc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cc2c1NC(C)(C)C=C2 ZINC001205856263 1370893631 /nfs/dbraw/zinc/89/36/31/1370893631.db2.gz UGUFLDGFIVRDHV-PBHICJAKSA-N 2 2 329.488 3.472 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@H]1F ZINC001206173135 1370980267 /nfs/dbraw/zinc/98/02/67/1370980267.db2.gz FIFSMOCDENRNEQ-CHWSQXEVSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC[C@H]1F ZINC001206173135 1370980269 /nfs/dbraw/zinc/98/02/69/1370980269.db2.gz FIFSMOCDENRNEQ-CHWSQXEVSA-N 2 2 340.240 3.192 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206210029 1370992730 /nfs/dbraw/zinc/99/27/30/1370992730.db2.gz JFLNLZHQUHXSQI-ZIAGYGMSSA-N 2 2 333.220 3.158 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206210029 1370992732 /nfs/dbraw/zinc/99/27/32/1370992732.db2.gz JFLNLZHQUHXSQI-ZIAGYGMSSA-N 2 2 333.220 3.158 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001206263150 1371007187 /nfs/dbraw/zinc/00/71/87/1371007187.db2.gz PDCIEWPPYMMACO-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc2cc(Br)ccc2n1 ZINC001206263150 1371007189 /nfs/dbraw/zinc/00/71/89/1371007189.db2.gz PDCIEWPPYMMACO-LBPRGKRZSA-N 2 2 334.261 3.181 20 0 EGADLP COC(=O)CCCCCCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336746 1371026767 /nfs/dbraw/zinc/02/67/67/1371026767.db2.gz OLQPIYKXSZTIPV-SFHVURJKSA-N 2 2 330.488 3.433 20 0 EGADLP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336746 1371026770 /nfs/dbraw/zinc/02/67/70/1371026770.db2.gz OLQPIYKXSZTIPV-SFHVURJKSA-N 2 2 330.488 3.433 20 0 EGADLP CC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001206428297 1371051486 /nfs/dbraw/zinc/05/14/86/1371051486.db2.gz XAYSUWYPJNWKOP-VGOKWCNXSA-N 2 2 332.492 3.019 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533360 1371086695 /nfs/dbraw/zinc/08/66/95/1371086695.db2.gz GEOLBQCKBWXANX-KEGWNNHHSA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533360 1371086700 /nfs/dbraw/zinc/08/67/00/1371086700.db2.gz GEOLBQCKBWXANX-KEGWNNHHSA-N 2 2 346.519 3.163 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Br ZINC001206550228 1371091284 /nfs/dbraw/zinc/09/12/84/1371091284.db2.gz XWNGQANJIUOMEV-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Br ZINC001206550228 1371091289 /nfs/dbraw/zinc/09/12/89/1371091289.db2.gz XWNGQANJIUOMEV-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)c1Cl ZINC001206582922 1371100275 /nfs/dbraw/zinc/10/02/75/1371100275.db2.gz QCYLJORDCSRJDN-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(OC)c1Cl ZINC001206582922 1371100276 /nfs/dbraw/zinc/10/02/76/1371100276.db2.gz QCYLJORDCSRJDN-KRWDZBQOSA-N 2 2 326.868 3.308 20 0 EGADLP Cc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(Br)cc1F ZINC001206641101 1371116008 /nfs/dbraw/zinc/11/60/08/1371116008.db2.gz TUVBHDJPBZKAMM-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(Br)cc1F ZINC001206641101 1371116013 /nfs/dbraw/zinc/11/60/13/1371116013.db2.gz TUVBHDJPBZKAMM-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)cc1F ZINC001206806119 1371174521 /nfs/dbraw/zinc/17/45/21/1371174521.db2.gz FKFDNUPYNRHOML-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(Br)cc1F ZINC001206806119 1371174522 /nfs/dbraw/zinc/17/45/22/1371174522.db2.gz FKFDNUPYNRHOML-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206806133 1371175118 /nfs/dbraw/zinc/17/51/18/1371175118.db2.gz FPIKWKBBHVPSEP-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206806133 1371175122 /nfs/dbraw/zinc/17/51/22/1371175122.db2.gz FPIKWKBBHVPSEP-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206808221 1371175755 /nfs/dbraw/zinc/17/57/55/1371175755.db2.gz JWPHNUYQOGGXRP-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)ccc1Br ZINC001206808221 1371175757 /nfs/dbraw/zinc/17/57/57/1371175757.db2.gz JWPHNUYQOGGXRP-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP O=c1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070549 1371286030 /nfs/dbraw/zinc/28/60/30/1371286030.db2.gz WLWMYSBTQQVUDH-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP O=c1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070549 1371286032 /nfs/dbraw/zinc/28/60/32/1371286032.db2.gz WLWMYSBTQQVUDH-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070549 1371286035 /nfs/dbraw/zinc/28/60/35/1371286035.db2.gz WLWMYSBTQQVUDH-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP O=c1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001207070549 1371286037 /nfs/dbraw/zinc/28/60/37/1371286037.db2.gz WLWMYSBTQQVUDH-NRFANRHFSA-N 2 2 337.467 3.275 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001119300623 1371301478 /nfs/dbraw/zinc/30/14/78/1371301478.db2.gz AYGMUIWHKFXDOT-CQSZACIVSA-N 2 2 347.434 3.031 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001119300623 1371301479 /nfs/dbraw/zinc/30/14/79/1371301479.db2.gz AYGMUIWHKFXDOT-CQSZACIVSA-N 2 2 347.434 3.031 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207138944 1371307342 /nfs/dbraw/zinc/30/73/42/1371307342.db2.gz HKKVSEJHUALJMJ-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207138944 1371307347 /nfs/dbraw/zinc/30/73/47/1371307347.db2.gz HKKVSEJHUALJMJ-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207138944 1371307350 /nfs/dbraw/zinc/30/73/50/1371307350.db2.gz HKKVSEJHUALJMJ-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1noc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207138944 1371307355 /nfs/dbraw/zinc/30/73/55/1371307355.db2.gz HKKVSEJHUALJMJ-RTBURBONSA-N 2 2 325.456 3.245 20 0 EGADLP Clc1cccc(CC[N@@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001207422039 1371389935 /nfs/dbraw/zinc/38/99/35/1371389935.db2.gz PABTXVNNBVQKKC-UHFFFAOYSA-N 2 2 344.890 3.191 20 0 EGADLP Clc1cccc(CC[N@H+]2CCn3cc(C[NH+]4CCCC4)nc3C2)c1 ZINC001207422039 1371389938 /nfs/dbraw/zinc/38/99/38/1371389938.db2.gz PABTXVNNBVQKKC-UHFFFAOYSA-N 2 2 344.890 3.191 20 0 EGADLP C1=C2CCC[N@@H+](C[C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207471871 1371404955 /nfs/dbraw/zinc/40/49/55/1371404955.db2.gz WJHQDKLXFHCIQY-AYZHRIAMSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[N@H+](C[C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207471871 1371404958 /nfs/dbraw/zinc/40/49/58/1371404958.db2.gz WJHQDKLXFHCIQY-AYZHRIAMSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[NH+](C[C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001207471871 1371404961 /nfs/dbraw/zinc/40/49/61/1371404961.db2.gz WJHQDKLXFHCIQY-AYZHRIAMSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[NH+](C[C@@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001207471871 1371404963 /nfs/dbraw/zinc/40/49/63/1371404963.db2.gz WJHQDKLXFHCIQY-AYZHRIAMSA-N 2 2 330.516 3.308 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001120069239 1371476831 /nfs/dbraw/zinc/47/68/31/1371476831.db2.gz YUCRHXYPYARVRE-SNAWJCMRSA-N 2 2 332.492 3.026 20 0 EGADLP Cn1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c2ccccc2)cn1 ZINC001120260019 1371518371 /nfs/dbraw/zinc/51/83/71/1371518371.db2.gz OBNMORMSEQYULS-KRIYCRJKSA-N 2 2 336.483 3.257 20 0 EGADLP Cn1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c2ccccc2)cn1 ZINC001120260019 1371518374 /nfs/dbraw/zinc/51/83/74/1371518374.db2.gz OBNMORMSEQYULS-KRIYCRJKSA-N 2 2 336.483 3.257 20 0 EGADLP c1[nH+]c2n(c1-c1ccccc1)CCC21CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207853359 1371519417 /nfs/dbraw/zinc/51/94/17/1371519417.db2.gz NYLCPVHVNJUTJW-SFHVURJKSA-N 2 2 337.467 3.466 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392038 1371559129 /nfs/dbraw/zinc/55/91/29/1371559129.db2.gz JLOUYFUVXQHYIP-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392038 1371559144 /nfs/dbraw/zinc/55/91/44/1371559144.db2.gz JLOUYFUVXQHYIP-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392038 1371559148 /nfs/dbraw/zinc/55/91/48/1371559148.db2.gz JLOUYFUVXQHYIP-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392038 1371559151 /nfs/dbraw/zinc/55/91/51/1371559151.db2.gz JLOUYFUVXQHYIP-PKOBYXMFSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392037 1371559391 /nfs/dbraw/zinc/55/93/91/1371559391.db2.gz JLOUYFUVXQHYIP-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001120392037 1371559396 /nfs/dbraw/zinc/55/93/96/1371559396.db2.gz JLOUYFUVXQHYIP-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392037 1371559398 /nfs/dbraw/zinc/55/93/98/1371559398.db2.gz JLOUYFUVXQHYIP-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001120392037 1371559400 /nfs/dbraw/zinc/55/94/00/1371559400.db2.gz JLOUYFUVXQHYIP-MJGOQNOKSA-N 2 2 346.519 3.236 20 0 EGADLP C[NH+](C)CC1(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CCCC1 ZINC001208185459 1371627352 /nfs/dbraw/zinc/62/73/52/1371627352.db2.gz NHZYQUYRCDQBTE-QZTJIDSGSA-N 3 2 347.572 3.234 20 0 EGADLP C[NH+](C)CC1(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)CCCC1 ZINC001208189270 1371630352 /nfs/dbraw/zinc/63/03/52/1371630352.db2.gz TUMLIMTWXNMHRI-KRWDZBQOSA-N 2 2 343.506 3.304 20 0 EGADLP C[NH+](C)CCC[N@H+](C)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001208761960 1371888176 /nfs/dbraw/zinc/88/81/76/1371888176.db2.gz HKEBMRBHUGUCFE-QGZVFWFLSA-N 2 2 335.492 3.136 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001208761960 1371888183 /nfs/dbraw/zinc/88/81/83/1371888183.db2.gz HKEBMRBHUGUCFE-QGZVFWFLSA-N 2 2 335.492 3.136 20 0 EGADLP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001121294720 1371925559 /nfs/dbraw/zinc/92/55/59/1371925559.db2.gz GBSNEJQJIIRFCE-FBPHCRGOSA-N 2 2 340.471 3.240 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208878814 1371929991 /nfs/dbraw/zinc/92/99/91/1371929991.db2.gz KJHILYSADGDXIX-GOSISDBHSA-N 2 2 345.487 3.415 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208878814 1371930000 /nfs/dbraw/zinc/93/00/00/1371930000.db2.gz KJHILYSADGDXIX-GOSISDBHSA-N 2 2 345.487 3.415 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC4(C)CCCCC4)C[C@@H]3C2)cn1 ZINC001208896186 1371936573 /nfs/dbraw/zinc/93/65/73/1371936573.db2.gz HVHMCTXUDDCNCI-MOPGFXCFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC4(C)CCCCC4)C[C@@H]3C2)cn1 ZINC001208896186 1371936580 /nfs/dbraw/zinc/93/65/80/1371936580.db2.gz HVHMCTXUDDCNCI-MOPGFXCFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC4(C)CCCCC4)C[C@@H]3C2)cn1 ZINC001208896186 1371936582 /nfs/dbraw/zinc/93/65/82/1371936582.db2.gz HVHMCTXUDDCNCI-MOPGFXCFSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC4(C)CCCCC4)C[C@@H]3C2)cn1 ZINC001208896186 1371936586 /nfs/dbraw/zinc/93/65/86/1371936586.db2.gz HVHMCTXUDDCNCI-MOPGFXCFSA-N 2 2 330.520 3.144 20 0 EGADLP CCCCC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121841535 1372098335 /nfs/dbraw/zinc/09/83/35/1372098335.db2.gz GBGMSMAURYCAOJ-KZIPQDEESA-N 2 2 332.492 3.041 20 0 EGADLP FC(F)(F)c1nc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC001209448570 1372108526 /nfs/dbraw/zinc/10/85/26/1372108526.db2.gz CKUXXNGXXNYGOY-CYBMUJFWSA-N 2 2 346.397 3.144 20 0 EGADLP FC(F)(F)c1nc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC001209448570 1372108532 /nfs/dbraw/zinc/10/85/32/1372108532.db2.gz CKUXXNGXXNYGOY-CYBMUJFWSA-N 2 2 346.397 3.144 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644384 1372160967 /nfs/dbraw/zinc/16/09/67/1372160967.db2.gz VEZBTYQTEWQUOJ-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644384 1372160969 /nfs/dbraw/zinc/16/09/69/1372160969.db2.gz VEZBTYQTEWQUOJ-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644384 1372160971 /nfs/dbraw/zinc/16/09/71/1372160971.db2.gz VEZBTYQTEWQUOJ-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644384 1372160974 /nfs/dbraw/zinc/16/09/74/1372160974.db2.gz VEZBTYQTEWQUOJ-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnccn3)C[C@H]21 ZINC001209780768 1372195622 /nfs/dbraw/zinc/19/56/22/1372195622.db2.gz DLRPNNNQXPWPQN-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnccn3)C[C@H]21 ZINC001209780768 1372195624 /nfs/dbraw/zinc/19/56/24/1372195624.db2.gz DLRPNNNQXPWPQN-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnccn3)C[C@H]21 ZINC001209780768 1372195626 /nfs/dbraw/zinc/19/56/26/1372195626.db2.gz DLRPNNNQXPWPQN-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnccn3)C[C@H]21 ZINC001209780768 1372195631 /nfs/dbraw/zinc/19/56/31/1372195631.db2.gz DLRPNNNQXPWPQN-ATZDWAIDSA-N 2 2 342.512 3.271 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001209866058 1372217115 /nfs/dbraw/zinc/21/71/15/1372217115.db2.gz NJFYUSHJIOUQHA-HKUYNNGSSA-N 2 2 346.519 3.385 20 0 EGADLP COC(=O)c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001210029336 1372259399 /nfs/dbraw/zinc/25/93/99/1372259399.db2.gz URMDXXDBNKHFNL-UHFFFAOYSA-N 2 2 330.472 3.144 20 0 EGADLP COC(=O)c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001210029336 1372259403 /nfs/dbraw/zinc/25/94/03/1372259403.db2.gz URMDXXDBNKHFNL-UHFFFAOYSA-N 2 2 330.472 3.144 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C)c1 ZINC001210265995 1372310055 /nfs/dbraw/zinc/31/00/55/1372310055.db2.gz JINVLRYPSLNKBS-UHFFFAOYSA-N 3 2 339.487 3.389 20 0 EGADLP CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438594 1372353040 /nfs/dbraw/zinc/35/30/40/1372353040.db2.gz UWEUKZKKIZAWRS-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCC[NH2+][C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001210438179 1372353224 /nfs/dbraw/zinc/35/32/24/1372353224.db2.gz QEBBCQPFEOJXFE-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1 ZINC001212968250 1372807668 /nfs/dbraw/zinc/80/76/68/1372807668.db2.gz RDVOEPPTQULHCX-UHFFFAOYSA-N 2 2 339.487 3.423 20 0 EGADLP COc1cc(N2CC[NH2+]CC2)ccc1Nc1[nH+]cccc1C(C)C ZINC001213893860 1372975440 /nfs/dbraw/zinc/97/54/40/1372975440.db2.gz XFUSQVFYEDYLFT-UHFFFAOYSA-N 2 2 326.444 3.367 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001215189872 1373184513 /nfs/dbraw/zinc/18/45/13/1373184513.db2.gz LDQWMVJCQDYEDW-RHSMWYFYSA-N 2 2 335.467 3.197 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CCC1CCCCC1)n1cc[nH+]c1 ZINC001130001847 1373444370 /nfs/dbraw/zinc/44/43/70/1373444370.db2.gz ZCSJUPASOBPMEC-GOSISDBHSA-N 2 2 334.508 3.147 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@H](C)c2cccc(F)c2)c(C)[nH+]1 ZINC001131565674 1373722553 /nfs/dbraw/zinc/72/25/53/1373722553.db2.gz AYYUOKQXSVFNJV-CQSZACIVSA-N 2 2 329.419 3.227 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCC1 ZINC001326821192 1388321899 /nfs/dbraw/zinc/32/18/99/1388321899.db2.gz AFIMMKSXHFKKPV-UHFFFAOYSA-N 2 2 342.487 3.321 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125540 1375158513 /nfs/dbraw/zinc/15/85/13/1375158513.db2.gz WBIXJMBKXDXADO-HNGSOEQISA-N 2 2 346.519 3.252 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@H]1C ZINC001132125540 1375158514 /nfs/dbraw/zinc/15/85/14/1375158514.db2.gz WBIXJMBKXDXADO-HNGSOEQISA-N 2 2 346.519 3.252 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546547 1375453431 /nfs/dbraw/zinc/45/34/31/1375453431.db2.gz NTHQOZYBBXLPNE-ROUUACIJSA-N 2 2 334.508 3.213 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546547 1375453433 /nfs/dbraw/zinc/45/34/33/1375453433.db2.gz NTHQOZYBBXLPNE-ROUUACIJSA-N 2 2 334.508 3.213 20 0 EGADLP C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001132782613 1375561652 /nfs/dbraw/zinc/56/16/52/1375561652.db2.gz POYZNDIYZLIKIT-DLBZAZTESA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001133021958 1375717008 /nfs/dbraw/zinc/71/70/08/1375717008.db2.gz XDACEIHTHCAADZ-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133362976 1375945791 /nfs/dbraw/zinc/94/57/91/1375945791.db2.gz BINDSPYXIBWNDA-MOPGFXCFSA-N 2 2 348.535 3.174 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@@H]3C2)cc1 ZINC001232014199 1376384906 /nfs/dbraw/zinc/38/49/06/1376384906.db2.gz ZXGOMWBMNJYKNH-PMACEKPBSA-N 3 2 346.478 3.435 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnsc3)C[C@@H]21 ZINC001232228144 1376419778 /nfs/dbraw/zinc/41/97/78/1376419778.db2.gz MRHPNSXVIMQXCF-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnsc3)C[C@@H]21 ZINC001232228144 1376419782 /nfs/dbraw/zinc/41/97/82/1376419782.db2.gz MRHPNSXVIMQXCF-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnsc3)C[C@@H]21 ZINC001232228144 1376419786 /nfs/dbraw/zinc/41/97/86/1376419786.db2.gz MRHPNSXVIMQXCF-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnsc3)C[C@@H]21 ZINC001232228144 1376419807 /nfs/dbraw/zinc/41/98/07/1376419807.db2.gz MRHPNSXVIMQXCF-YTQUADARSA-N 2 2 342.512 3.271 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227044 1376424055 /nfs/dbraw/zinc/42/40/55/1376424055.db2.gz AHPJYQYNDNOUHA-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP CSc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC001232351776 1376446362 /nfs/dbraw/zinc/44/63/62/1376446362.db2.gz MFDLUJXHVKGWDR-UHFFFAOYSA-N 2 2 328.485 3.138 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)nc3Cl)C[C@@H]2C1 ZINC001232791124 1376514267 /nfs/dbraw/zinc/51/42/67/1376514267.db2.gz IVANBHZHQHEILR-PWSUYJOCSA-N 2 2 333.785 3.137 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)nc3Cl)C[C@@H]2C1 ZINC001232791124 1376514271 /nfs/dbraw/zinc/51/42/71/1376514271.db2.gz IVANBHZHQHEILR-PWSUYJOCSA-N 2 2 333.785 3.137 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)nc3Cl)C[C@@H]2C1 ZINC001232791124 1376514277 /nfs/dbraw/zinc/51/42/77/1376514277.db2.gz IVANBHZHQHEILR-PWSUYJOCSA-N 2 2 333.785 3.137 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)nc3Cl)C[C@@H]2C1 ZINC001232791124 1376514281 /nfs/dbraw/zinc/51/42/81/1376514281.db2.gz IVANBHZHQHEILR-PWSUYJOCSA-N 2 2 333.785 3.137 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc2o1 ZINC001232943188 1376543731 /nfs/dbraw/zinc/54/37/31/1376543731.db2.gz WCGOXWKAFLNAFY-RTBURBONSA-N 2 2 333.435 3.392 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2o1 ZINC001232943187 1376544348 /nfs/dbraw/zinc/54/43/48/1376544348.db2.gz WCGOXWKAFLNAFY-OALUTQOASA-N 2 2 333.435 3.392 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546207 1376584005 /nfs/dbraw/zinc/58/40/05/1376584005.db2.gz XPORLPLNOZCTGJ-JKSUJKDBSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546207 1376584009 /nfs/dbraw/zinc/58/40/09/1376584009.db2.gz XPORLPLNOZCTGJ-JKSUJKDBSA-N 2 2 346.519 3.186 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC001233363931 1376630101 /nfs/dbraw/zinc/63/01/01/1376630101.db2.gz HNADOFZDGKJVKS-PMACEKPBSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2c(cccc2CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC001233363931 1376630108 /nfs/dbraw/zinc/63/01/08/1376630108.db2.gz HNADOFZDGKJVKS-PMACEKPBSA-N 2 2 346.478 3.288 20 0 EGADLP Clc1ccc2cc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2n1 ZINC001235023230 1376829380 /nfs/dbraw/zinc/82/93/80/1376829380.db2.gz SZNCEDFCUMVBBK-LJQANCHMSA-N 2 2 345.874 3.090 20 0 EGADLP Clc1ccc2cc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2n1 ZINC001235023230 1376829384 /nfs/dbraw/zinc/82/93/84/1376829384.db2.gz SZNCEDFCUMVBBK-LJQANCHMSA-N 2 2 345.874 3.090 20 0 EGADLP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115839 1376848951 /nfs/dbraw/zinc/84/89/51/1376848951.db2.gz RZOBAUSVMMLBRV-PKOBYXMFSA-N 2 2 326.525 3.062 20 0 EGADLP COC(C)(C)CCC[C@H](C)CC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115839 1376848956 /nfs/dbraw/zinc/84/89/56/1376848956.db2.gz RZOBAUSVMMLBRV-PKOBYXMFSA-N 2 2 326.525 3.062 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccns2)c(C)[nH+]1 ZINC001135042909 1376863653 /nfs/dbraw/zinc/86/36/53/1376863653.db2.gz DLOWHEONAAWNHZ-TZMCWYRMSA-N 2 2 346.500 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2cncs2)c(C)[nH+]1 ZINC001135044115 1376865627 /nfs/dbraw/zinc/86/56/27/1376865627.db2.gz OSIFOLDMFUCDJF-TZMCWYRMSA-N 2 2 346.500 3.150 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135057367 1376872978 /nfs/dbraw/zinc/87/29/78/1376872978.db2.gz SZXGIRFOXZWCQR-IAGOWNOFSA-N 2 2 348.535 3.196 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631962 1376878278 /nfs/dbraw/zinc/87/82/78/1376878278.db2.gz CPBIUSAKDLSQSQ-PWBPZBFBSA-N 2 2 346.519 3.359 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631962 1376878281 /nfs/dbraw/zinc/87/82/81/1376878281.db2.gz CPBIUSAKDLSQSQ-PWBPZBFBSA-N 2 2 346.519 3.359 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001135080552 1376883662 /nfs/dbraw/zinc/88/36/62/1376883662.db2.gz WZLOWCDQQRCWLN-CVEARBPZSA-N 2 2 342.487 3.179 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001135080552 1376883666 /nfs/dbraw/zinc/88/36/66/1376883666.db2.gz WZLOWCDQQRCWLN-CVEARBPZSA-N 2 2 342.487 3.179 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001135080127 1376883860 /nfs/dbraw/zinc/88/38/60/1376883860.db2.gz LDOHXDWRZPMWKK-GUYCJALGSA-N 2 2 348.878 3.099 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001135080127 1376883863 /nfs/dbraw/zinc/88/38/63/1376883863.db2.gz LDOHXDWRZPMWKK-GUYCJALGSA-N 2 2 348.878 3.099 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001135080128 1376884219 /nfs/dbraw/zinc/88/42/19/1376884219.db2.gz LDOHXDWRZPMWKK-SUMWQHHRSA-N 2 2 348.878 3.099 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001135080128 1376884221 /nfs/dbraw/zinc/88/42/21/1376884221.db2.gz LDOHXDWRZPMWKK-SUMWQHHRSA-N 2 2 348.878 3.099 20 0 EGADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001235873920 1376906215 /nfs/dbraw/zinc/90/62/15/1376906215.db2.gz ZXHCTYSTNCRFSP-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc1 ZINC001235873920 1376906218 /nfs/dbraw/zinc/90/62/18/1376906218.db2.gz ZXHCTYSTNCRFSP-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)nc1 ZINC001235873920 1376906224 /nfs/dbraw/zinc/90/62/24/1376906224.db2.gz ZXHCTYSTNCRFSP-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)nc1 ZINC001235873920 1376906228 /nfs/dbraw/zinc/90/62/28/1376906228.db2.gz ZXHCTYSTNCRFSP-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP Cc1ccc([C@]2(C)C[N@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947449 1376922722 /nfs/dbraw/zinc/92/27/22/1376922722.db2.gz BJVVBMMETYGPJZ-NJAFHUGGSA-N 2 2 338.442 3.033 20 0 EGADLP Cc1ccc([C@]2(C)C[N@@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947449 1376922724 /nfs/dbraw/zinc/92/27/24/1376922724.db2.gz BJVVBMMETYGPJZ-NJAFHUGGSA-N 2 2 338.442 3.033 20 0 EGADLP CC[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236005813 1376924949 /nfs/dbraw/zinc/92/49/49/1376924949.db2.gz FMGBKADIUWWJQC-ZDUSSCGKSA-N 2 2 334.357 3.497 20 0 EGADLP CC[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236005813 1376924954 /nfs/dbraw/zinc/92/49/54/1376924954.db2.gz FMGBKADIUWWJQC-ZDUSSCGKSA-N 2 2 334.357 3.497 20 0 EGADLP CC[C@H]([NH3+])C[NH+]1CCC2(COc3ccc(C(F)(F)F)cc32)CC1 ZINC001236006300 1376924967 /nfs/dbraw/zinc/92/49/67/1376924967.db2.gz QMTIYPAPXRIJRS-ZDUSSCGKSA-N 2 2 328.378 3.169 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138331 1376928680 /nfs/dbraw/zinc/92/86/80/1376928680.db2.gz ZUNFTYVTTSQIQA-IRXDYDNUSA-N 2 2 334.508 3.117 20 0 EGADLP CCCC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[NH2+]1 ZINC001236139978 1376936794 /nfs/dbraw/zinc/93/67/94/1376936794.db2.gz BQVUYFGXQITODX-MRXNPFEDSA-N 2 2 332.879 3.490 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001236171929 1376937244 /nfs/dbraw/zinc/93/72/44/1376937244.db2.gz WDOOSQNOWWOLBK-CYBMUJFWSA-N 2 2 332.245 3.044 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001236171929 1376937248 /nfs/dbraw/zinc/93/72/48/1376937248.db2.gz WDOOSQNOWWOLBK-CYBMUJFWSA-N 2 2 332.245 3.044 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001236183292 1376939534 /nfs/dbraw/zinc/93/95/34/1376939534.db2.gz VWOQZLFPYBGYKZ-DAXOMENPSA-N 2 2 344.833 3.204 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001236183292 1376939549 /nfs/dbraw/zinc/93/95/49/1376939549.db2.gz VWOQZLFPYBGYKZ-DAXOMENPSA-N 2 2 344.833 3.204 20 0 EGADLP Fc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)c(F)c1 ZINC001237140912 1376976318 /nfs/dbraw/zinc/97/63/18/1376976318.db2.gz CJLWOXVXMWUHRQ-FQEVSTJZSA-N 2 2 344.405 3.196 20 0 EGADLP Fc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)c2)c(F)c1 ZINC001237140912 1376976320 /nfs/dbraw/zinc/97/63/20/1376976320.db2.gz CJLWOXVXMWUHRQ-FQEVSTJZSA-N 2 2 344.405 3.196 20 0 EGADLP COc1cc2[nH+]ccn2cc1-c1ccc(OCCC[NH+](C)C)cc1 ZINC001245338324 1377046030 /nfs/dbraw/zinc/04/60/30/1377046030.db2.gz AJNBBSWESUZOPJ-UHFFFAOYSA-N 2 2 325.412 3.340 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246937528 1377056043 /nfs/dbraw/zinc/05/60/43/1377056043.db2.gz PLRIXQGGRHUROT-NEWSRXKRSA-N 2 2 348.462 3.112 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)C1 ZINC001246937528 1377056046 /nfs/dbraw/zinc/05/60/46/1377056046.db2.gz PLRIXQGGRHUROT-NEWSRXKRSA-N 2 2 348.462 3.112 20 0 EGADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)CC1 ZINC001254510001 1377105608 /nfs/dbraw/zinc/10/56/08/1377105608.db2.gz LCNDOIPCEFDQDO-KRWDZBQOSA-N 2 2 332.879 3.159 20 0 EGADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)CC1 ZINC001254510001 1377105611 /nfs/dbraw/zinc/10/56/11/1377105611.db2.gz LCNDOIPCEFDQDO-KRWDZBQOSA-N 2 2 332.879 3.159 20 0 EGADLP CCOC(=O)C1CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001255264573 1377110182 /nfs/dbraw/zinc/11/01/82/1377110182.db2.gz UARDFWBHSPOZPE-UHFFFAOYSA-N 2 2 341.455 3.426 20 0 EGADLP CCOC(=O)C1CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001255264573 1377110184 /nfs/dbraw/zinc/11/01/84/1377110184.db2.gz UARDFWBHSPOZPE-UHFFFAOYSA-N 2 2 341.455 3.426 20 0 EGADLP CC(C)CC(CC(C)C)[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001258835456 1377119623 /nfs/dbraw/zinc/11/96/23/1377119623.db2.gz YJORDZYHNFGMLZ-UHFFFAOYSA-N 2 2 343.519 3.447 20 0 EGADLP CC(C)CC(CC(C)C)[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001258835456 1377119624 /nfs/dbraw/zinc/11/96/24/1377119624.db2.gz YJORDZYHNFGMLZ-UHFFFAOYSA-N 2 2 343.519 3.447 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001135798103 1377213202 /nfs/dbraw/zinc/21/32/02/1377213202.db2.gz BBTSFXJQFLJDSQ-CABCVRRESA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840511 1377228923 /nfs/dbraw/zinc/22/89/23/1377228923.db2.gz KBANMKRRXVFLQP-SJORKVTESA-N 2 2 342.487 3.405 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001136030718 1377304721 /nfs/dbraw/zinc/30/47/21/1377304721.db2.gz BGNTURVJXSAZIY-CABCVRRESA-N 2 2 348.535 3.350 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)c1 ZINC001136988551 1377451092 /nfs/dbraw/zinc/45/10/92/1377451092.db2.gz GMTINCDDROWIHO-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001137208243 1377497020 /nfs/dbraw/zinc/49/70/20/1377497020.db2.gz ULUQQWQZCYRTQW-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3c[nH]c4ccc(F)cc34)CC2)CC1 ZINC001137342890 1377524845 /nfs/dbraw/zinc/52/48/45/1377524845.db2.gz QQOWEZKZUWVYSI-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740677 1377568686 /nfs/dbraw/zinc/56/86/86/1377568686.db2.gz LLQLGRGSYHAFGD-NEWSRXKRSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740677 1377568687 /nfs/dbraw/zinc/56/86/87/1377568687.db2.gz LLQLGRGSYHAFGD-NEWSRXKRSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740677 1377568688 /nfs/dbraw/zinc/56/86/88/1377568688.db2.gz LLQLGRGSYHAFGD-NEWSRXKRSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740677 1377568689 /nfs/dbraw/zinc/56/86/89/1377568689.db2.gz LLQLGRGSYHAFGD-NEWSRXKRSA-N 2 2 346.519 3.234 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)ccc1Cl ZINC001138085724 1377674736 /nfs/dbraw/zinc/67/47/36/1377674736.db2.gz WBIFQKXAKLXGHZ-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)ccc1Cl ZINC001138085724 1377674737 /nfs/dbraw/zinc/67/47/37/1377674737.db2.gz WBIFQKXAKLXGHZ-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP Oc1cccnc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001138396609 1377717038 /nfs/dbraw/zinc/71/70/38/1377717038.db2.gz VHJHGCIHNSLCBG-GMLUQMLDSA-N 2 2 339.483 3.182 20 0 EGADLP Oc1cccnc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001138396609 1377717040 /nfs/dbraw/zinc/71/70/40/1377717040.db2.gz VHJHGCIHNSLCBG-GMLUQMLDSA-N 2 2 339.483 3.182 20 0 EGADLP Oc1cccnc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001138396609 1377717042 /nfs/dbraw/zinc/71/70/42/1377717042.db2.gz VHJHGCIHNSLCBG-GMLUQMLDSA-N 2 2 339.483 3.182 20 0 EGADLP Oc1cccnc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001138396609 1377717044 /nfs/dbraw/zinc/71/70/44/1377717044.db2.gz VHJHGCIHNSLCBG-GMLUQMLDSA-N 2 2 339.483 3.182 20 0 EGADLP CCOC(=O)C1(F)CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138547327 1377740081 /nfs/dbraw/zinc/74/00/81/1377740081.db2.gz KHZUXMYXHQHQEN-UHFFFAOYSA-N 2 2 345.418 3.048 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001139015189 1377818516 /nfs/dbraw/zinc/81/85/16/1377818516.db2.gz CPUIWPPRYJEXQM-HNNXBMFYSA-N 2 2 337.345 3.457 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC001139015189 1377818519 /nfs/dbraw/zinc/81/85/19/1377818519.db2.gz CPUIWPPRYJEXQM-HNNXBMFYSA-N 2 2 337.345 3.457 20 0 EGADLP c1c2ccccc2oc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001139061866 1377823669 /nfs/dbraw/zinc/82/36/69/1377823669.db2.gz XNKKYMNYOFQNSF-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2ccccc2oc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001139061866 1377823670 /nfs/dbraw/zinc/82/36/70/1377823670.db2.gz XNKKYMNYOFQNSF-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001139061866 1377823671 /nfs/dbraw/zinc/82/36/71/1377823671.db2.gz XNKKYMNYOFQNSF-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001139061866 1377823672 /nfs/dbraw/zinc/82/36/72/1377823672.db2.gz XNKKYMNYOFQNSF-HDICACEKSA-N 2 2 333.435 3.392 20 0 EGADLP COc1cc(O)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139143765 1377838467 /nfs/dbraw/zinc/83/84/67/1377838467.db2.gz YAPSVYSMUMNOQX-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139143765 1377838468 /nfs/dbraw/zinc/83/84/68/1377838468.db2.gz YAPSVYSMUMNOQX-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139143765 1377838470 /nfs/dbraw/zinc/83/84/70/1377838470.db2.gz YAPSVYSMUMNOQX-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1cc(O)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139143765 1377838472 /nfs/dbraw/zinc/83/84/72/1377838472.db2.gz YAPSVYSMUMNOQX-GOSISDBHSA-N 2 2 340.467 3.355 20 0 EGADLP COc1ccc(OC)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1N ZINC001139279274 1377861455 /nfs/dbraw/zinc/86/14/55/1377861455.db2.gz OOICQKVBKATSLD-UHFFFAOYSA-N 2 2 347.503 3.125 20 0 EGADLP COc1ccc(OC)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1N ZINC001139279274 1377861456 /nfs/dbraw/zinc/86/14/56/1377861456.db2.gz OOICQKVBKATSLD-UHFFFAOYSA-N 2 2 347.503 3.125 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc3ccc(Br)cc3[nH]1)C2 ZINC001139473541 1377890585 /nfs/dbraw/zinc/89/05/85/1377890585.db2.gz ONWURSMATZYHMK-CXAGYDPISA-N 2 2 348.288 3.314 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc3ccc(Br)cc3[nH]1)C2 ZINC001139473541 1377890586 /nfs/dbraw/zinc/89/05/86/1377890586.db2.gz ONWURSMATZYHMK-CXAGYDPISA-N 2 2 348.288 3.314 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cnc2cccnc2c1 ZINC001139744000 1377945007 /nfs/dbraw/zinc/94/50/07/1377945007.db2.gz XERUVLJUYPNKQW-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cnc2cccnc2c1 ZINC001139744000 1377945010 /nfs/dbraw/zinc/94/50/10/1377945010.db2.gz XERUVLJUYPNKQW-UHFFFAOYSA-N 2 2 329.407 3.448 20 0 EGADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763634 1377947962 /nfs/dbraw/zinc/94/79/62/1377947962.db2.gz QNJXBODURPKRLB-ZWKOTPCHSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763634 1377947964 /nfs/dbraw/zinc/94/79/64/1377947964.db2.gz QNJXBODURPKRLB-ZWKOTPCHSA-N 2 2 332.488 3.018 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(OC)cc4)s3)C[C@H]2C1 ZINC001139796372 1377952007 /nfs/dbraw/zinc/95/20/07/1377952007.db2.gz SYBIRYWOKYDIDM-HZPDHXFCSA-N 2 2 343.496 3.202 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001140026954 1377991691 /nfs/dbraw/zinc/99/16/91/1377991691.db2.gz RCZOLUMKZCKJES-SFHVURJKSA-N 2 2 325.456 3.429 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001140026954 1377991692 /nfs/dbraw/zinc/99/16/92/1377991692.db2.gz RCZOLUMKZCKJES-SFHVURJKSA-N 2 2 325.456 3.429 20 0 EGADLP Cc1nnc([C@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)o1 ZINC001140027565 1377993323 /nfs/dbraw/zinc/99/33/23/1377993323.db2.gz QIHKDSKMUZOOGC-KRWDZBQOSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1nnc([C@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)o1 ZINC001140027565 1377993324 /nfs/dbraw/zinc/99/33/24/1377993324.db2.gz QIHKDSKMUZOOGC-KRWDZBQOSA-N 2 2 337.427 3.252 20 0 EGADLP COc1cc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)ccc1C ZINC001140160269 1378023196 /nfs/dbraw/zinc/02/31/96/1378023196.db2.gz VLQZKZNDPONSQP-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP COc1cc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)ccc1C ZINC001140160269 1378023199 /nfs/dbraw/zinc/02/31/99/1378023199.db2.gz VLQZKZNDPONSQP-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5ccncc54)C[C@@H]3C2)c1 ZINC001140641293 1378103705 /nfs/dbraw/zinc/10/37/05/1378103705.db2.gz GJOVHYVUSSDCCZ-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cc[nH]c1)C2 ZINC001140706534 1378120047 /nfs/dbraw/zinc/12/00/47/1378120047.db2.gz SDPGRTLSUPQGAQ-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CC[NH+](Cc1cc[nH]c1)C2 ZINC001140706534 1378120050 /nfs/dbraw/zinc/12/00/50/1378120050.db2.gz SDPGRTLSUPQGAQ-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cc[nH]c1)C2 ZINC001140706534 1378120053 /nfs/dbraw/zinc/12/00/53/1378120053.db2.gz SDPGRTLSUPQGAQ-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP C[NH+](Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cc[nH]c1)C2 ZINC001140706534 1378120055 /nfs/dbraw/zinc/12/00/55/1378120055.db2.gz SDPGRTLSUPQGAQ-UHFFFAOYSA-N 2 2 336.439 3.193 20 0 EGADLP C[C@H]1C[NH+](Cc2c[nH]c3cc[nH+]cc23)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001140805326 1378143252 /nfs/dbraw/zinc/14/32/52/1378143252.db2.gz BFTWVHBKNNLTBS-KBPBESRZSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805849 1378143509 /nfs/dbraw/zinc/14/35/09/1378143509.db2.gz NVPCWFSICJUUGJ-CJNGLKHVSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805849 1378143512 /nfs/dbraw/zinc/14/35/12/1378143512.db2.gz NVPCWFSICJUUGJ-CJNGLKHVSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804998 1378144342 /nfs/dbraw/zinc/14/43/42/1378144342.db2.gz NXLYFLBGVFJYKX-HIFRSBDPSA-N 2 2 344.459 3.298 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804998 1378144347 /nfs/dbraw/zinc/14/43/47/1378144347.db2.gz NXLYFLBGVFJYKX-HIFRSBDPSA-N 2 2 344.459 3.298 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140805479 1378144777 /nfs/dbraw/zinc/14/47/77/1378144777.db2.gz GRTPCNDVZANGQK-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001140805479 1378144780 /nfs/dbraw/zinc/14/47/80/1378144780.db2.gz GRTPCNDVZANGQK-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140805479 1378144782 /nfs/dbraw/zinc/14/47/82/1378144782.db2.gz GRTPCNDVZANGQK-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140805479 1378144784 /nfs/dbraw/zinc/14/47/84/1378144784.db2.gz GRTPCNDVZANGQK-KDURUIRLSA-N 3 2 332.451 3.127 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470156 1378174266 /nfs/dbraw/zinc/17/42/66/1378174266.db2.gz JYDOLZJKFXTBJV-SJLPKXTDSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@H](C)CC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470156 1378174270 /nfs/dbraw/zinc/17/42/70/1378174270.db2.gz JYDOLZJKFXTBJV-SJLPKXTDSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001276470156 1378174272 /nfs/dbraw/zinc/17/42/72/1378174272.db2.gz JYDOLZJKFXTBJV-SJLPKXTDSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001276470156 1378174275 /nfs/dbraw/zinc/17/42/75/1378174275.db2.gz JYDOLZJKFXTBJV-SJLPKXTDSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@H](C)CC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470824 1378174597 /nfs/dbraw/zinc/17/45/97/1378174597.db2.gz QQMCURBKKCHUCU-SJLPKXTDSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470824 1378174592 /nfs/dbraw/zinc/17/45/92/1378174592.db2.gz QQMCURBKKCHUCU-SJLPKXTDSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470824 1378174601 /nfs/dbraw/zinc/17/46/01/1378174601.db2.gz QQMCURBKKCHUCU-SJLPKXTDSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470824 1378174607 /nfs/dbraw/zinc/17/46/07/1378174607.db2.gz QQMCURBKKCHUCU-SJLPKXTDSA-N 2 2 336.549 3.229 20 0 EGADLP c1cn(-c2ccc(CN3CC4(C3)CC[N@@H+](C3CCCC3)C4)cc2)c[nH+]1 ZINC001276872950 1378190667 /nfs/dbraw/zinc/19/06/67/1378190667.db2.gz NWNNOUUEQVFCDB-UHFFFAOYSA-N 2 2 336.483 3.323 20 0 EGADLP c1cn(-c2ccc(CN3CC4(C3)CC[N@H+](C3CCCC3)C4)cc2)c[nH+]1 ZINC001276872950 1378190670 /nfs/dbraw/zinc/19/06/70/1378190670.db2.gz NWNNOUUEQVFCDB-UHFFFAOYSA-N 2 2 336.483 3.323 20 0 EGADLP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](Cc1ccn3cc[nH+]c3c1)CC2 ZINC001141049520 1378219911 /nfs/dbraw/zinc/21/99/11/1378219911.db2.gz IEBLLVJJUGGONR-SFHVURJKSA-N 2 2 341.455 3.280 20 0 EGADLP CC(C)[N@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001142590223 1378462161 /nfs/dbraw/zinc/46/21/61/1378462161.db2.gz MKOCFIHGGVNROL-OAHLLOKOSA-N 2 2 346.302 3.053 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001142590223 1378462162 /nfs/dbraw/zinc/46/21/62/1378462162.db2.gz MKOCFIHGGVNROL-OAHLLOKOSA-N 2 2 346.302 3.053 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(C)c(F)c(F)c2)CC1 ZINC001143607826 1378623753 /nfs/dbraw/zinc/62/37/53/1378623753.db2.gz XHLFXNXSJABFSZ-UHFFFAOYSA-N 2 2 339.474 3.123 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001144336016 1378717804 /nfs/dbraw/zinc/71/78/04/1378717804.db2.gz AVAXZTPVFBBXGG-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001144336016 1378717806 /nfs/dbraw/zinc/71/78/06/1378717806.db2.gz AVAXZTPVFBBXGG-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001144336016 1378717808 /nfs/dbraw/zinc/71/78/08/1378717808.db2.gz AVAXZTPVFBBXGG-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001144336016 1378717809 /nfs/dbraw/zinc/71/78/09/1378717809.db2.gz AVAXZTPVFBBXGG-DLBZAZTESA-N 2 2 333.476 3.030 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760673 1380123268 /nfs/dbraw/zinc/12/32/68/1380123268.db2.gz WBPQVNGRNTUNHW-MRXNPFEDSA-N 2 2 332.492 3.059 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760673 1380123269 /nfs/dbraw/zinc/12/32/69/1380123269.db2.gz WBPQVNGRNTUNHW-MRXNPFEDSA-N 2 2 332.492 3.059 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760673 1380123270 /nfs/dbraw/zinc/12/32/70/1380123270.db2.gz WBPQVNGRNTUNHW-MRXNPFEDSA-N 2 2 332.492 3.059 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760673 1380123271 /nfs/dbraw/zinc/12/32/71/1380123271.db2.gz WBPQVNGRNTUNHW-MRXNPFEDSA-N 2 2 332.492 3.059 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153890980 1380150153 /nfs/dbraw/zinc/15/01/53/1380150153.db2.gz DOVGXSUDXUVGBF-KBAYOESNSA-N 2 2 344.503 3.230 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153890980 1380150155 /nfs/dbraw/zinc/15/01/55/1380150155.db2.gz DOVGXSUDXUVGBF-KBAYOESNSA-N 2 2 344.503 3.230 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153890980 1380150158 /nfs/dbraw/zinc/15/01/58/1380150158.db2.gz DOVGXSUDXUVGBF-KBAYOESNSA-N 2 2 344.503 3.230 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153890980 1380150160 /nfs/dbraw/zinc/15/01/60/1380150160.db2.gz DOVGXSUDXUVGBF-KBAYOESNSA-N 2 2 344.503 3.230 20 0 EGADLP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930228 1380157196 /nfs/dbraw/zinc/15/71/96/1380157196.db2.gz JTXQNUOEWODUHR-SJLPKXTDSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001153930228 1380157199 /nfs/dbraw/zinc/15/71/99/1380157199.db2.gz JTXQNUOEWODUHR-SJLPKXTDSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930226 1380157271 /nfs/dbraw/zinc/15/72/71/1380157271.db2.gz JTXQNUOEWODUHR-AEFFLSMTSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@@H+](CCC1CC1)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930226 1380157272 /nfs/dbraw/zinc/15/72/72/1380157272.db2.gz JTXQNUOEWODUHR-AEFFLSMTSA-N 2 2 334.508 3.097 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154078216 1380199738 /nfs/dbraw/zinc/19/97/38/1380199738.db2.gz GYGYOKDGDMQRMC-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154078216 1380199739 /nfs/dbraw/zinc/19/97/39/1380199739.db2.gz GYGYOKDGDMQRMC-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083249 1380201830 /nfs/dbraw/zinc/20/18/30/1380201830.db2.gz NNROBUZLVFCKFM-PBHICJAKSA-N 2 2 348.535 3.086 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083249 1380201831 /nfs/dbraw/zinc/20/18/31/1380201831.db2.gz NNROBUZLVFCKFM-PBHICJAKSA-N 2 2 348.535 3.086 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083249 1380201836 /nfs/dbraw/zinc/20/18/36/1380201836.db2.gz NNROBUZLVFCKFM-PBHICJAKSA-N 2 2 348.535 3.086 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083249 1380201837 /nfs/dbraw/zinc/20/18/37/1380201837.db2.gz NNROBUZLVFCKFM-PBHICJAKSA-N 2 2 348.535 3.086 20 0 EGADLP CC[N@H+](CC[C@H]1CCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403098 1380270743 /nfs/dbraw/zinc/27/07/43/1380270743.db2.gz ALHDMOVEZPTBPS-SJLPKXTDSA-N 2 2 347.503 3.016 20 0 EGADLP CC[N@@H+](CC[C@H]1CCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403098 1380270744 /nfs/dbraw/zinc/27/07/44/1380270744.db2.gz ALHDMOVEZPTBPS-SJLPKXTDSA-N 2 2 347.503 3.016 20 0 EGADLP CC[N@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492685 1380289522 /nfs/dbraw/zinc/28/95/22/1380289522.db2.gz NWLPGYHNYFUIEG-QGZVFWFLSA-N 2 2 342.487 3.359 20 0 EGADLP CC[N@@H+](CCC(C)C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154492685 1380289526 /nfs/dbraw/zinc/28/95/26/1380289526.db2.gz NWLPGYHNYFUIEG-QGZVFWFLSA-N 2 2 342.487 3.359 20 0 EGADLP FC(F)(c1cnc(Cl)nc1Cl)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155052611 1380399374 /nfs/dbraw/zinc/39/93/74/1380399374.db2.gz DCFJIOMJEAEYOW-UHFFFAOYSA-N 2 2 348.184 3.045 20 0 EGADLP Cc1ccc(Cl)nc1C(F)(F)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057915 1380399864 /nfs/dbraw/zinc/39/98/64/1380399864.db2.gz OVBFTJWHTYWADR-UHFFFAOYSA-N 2 2 326.778 3.305 20 0 EGADLP Clc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(-c2ccccc2)nn1 ZINC001155057182 1380399908 /nfs/dbraw/zinc/39/99/08/1380399908.db2.gz ABAWPILNISUIKY-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP Cc1c(Cl)nc(C2CCC2)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063083 1380401036 /nfs/dbraw/zinc/40/10/36/1380401036.db2.gz LYEHJOLCAFJCBQ-UHFFFAOYSA-N 2 2 331.851 3.359 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189420 1380422078 /nfs/dbraw/zinc/42/20/78/1380422078.db2.gz MIPRIOQACMTFGM-CVEARBPZSA-N 2 2 348.535 3.483 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155189420 1380422079 /nfs/dbraw/zinc/42/20/79/1380422079.db2.gz MIPRIOQACMTFGM-CVEARBPZSA-N 2 2 348.535 3.483 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522470 1380464267 /nfs/dbraw/zinc/46/42/67/1380464267.db2.gz VONIDUPAASSDNK-MHEJJFAZSA-N 2 2 334.508 3.407 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155522470 1380464269 /nfs/dbraw/zinc/46/42/69/1380464269.db2.gz VONIDUPAASSDNK-MHEJJFAZSA-N 2 2 334.508 3.407 20 0 EGADLP Cc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc(C2CCCCC2)[nH+]1 ZINC001155626655 1380475321 /nfs/dbraw/zinc/47/53/21/1380475321.db2.gz VYJVKGIGWSXFQQ-APWZRJJASA-N 2 2 330.476 3.156 20 0 EGADLP Cc1cc(NCc2cccnc2C2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC001156001378 1380512172 /nfs/dbraw/zinc/51/21/72/1380512172.db2.gz PSSUCPMWBRHDPF-UHFFFAOYSA-N 2 2 325.460 3.383 20 0 EGADLP C[NH+](C)C1(CNc2ccc3cccc(Cl)c3n2)CC[NH+](C)CC1 ZINC001156181427 1380537793 /nfs/dbraw/zinc/53/77/93/1380537793.db2.gz AAYPTMNSDWQASA-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001157265802 1380827525 /nfs/dbraw/zinc/82/75/25/1380827525.db2.gz XQQGDPXHWOBSIX-MRXNPFEDSA-N 2 2 348.878 3.243 20 0 EGADLP Cc1c[nH+]c(N2CCC(C)([NH+]3CCCC3)CC2)nc1NCC1CC1 ZINC001157651968 1380990144 /nfs/dbraw/zinc/99/01/44/1380990144.db2.gz DMIGOBQAMDXFBD-UHFFFAOYSA-N 2 2 329.492 3.062 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3c(Cl)ncc(Cl)c3Cl)CC2)C1 ZINC001158261921 1381176279 /nfs/dbraw/zinc/17/62/79/1381176279.db2.gz PMLRIRDXYVTOGE-SECBINFHSA-N 2 2 349.693 3.044 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3c(Cl)ncc(Cl)c3Cl)CC2)C1 ZINC001158261921 1381176281 /nfs/dbraw/zinc/17/62/81/1381176281.db2.gz PMLRIRDXYVTOGE-SECBINFHSA-N 2 2 349.693 3.044 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158276785 1381181987 /nfs/dbraw/zinc/18/19/87/1381181987.db2.gz HRBVKANVVLVHLH-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158276785 1381181995 /nfs/dbraw/zinc/18/19/95/1381181995.db2.gz HRBVKANVVLVHLH-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@H+](C)CC34CCCC4)c2cc1OC ZINC001158410253 1381235317 /nfs/dbraw/zinc/23/53/17/1381235317.db2.gz OTWGIPUUSGWPMH-UHFFFAOYSA-N 2 2 341.455 3.317 20 0 EGADLP COc1cc2cc[nH+]c(N3CC[N@@H+](C)CC34CCCC4)c2cc1OC ZINC001158410253 1381235324 /nfs/dbraw/zinc/23/53/24/1381235324.db2.gz OTWGIPUUSGWPMH-UHFFFAOYSA-N 2 2 341.455 3.317 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534582 1381284828 /nfs/dbraw/zinc/28/48/28/1381284828.db2.gz ZPLJBDHSAPAYAF-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534582 1381284832 /nfs/dbraw/zinc/28/48/32/1381284832.db2.gz ZPLJBDHSAPAYAF-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP c1c[nH+]c(N2CCCCC2)c(Nc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001159167499 1381697950 /nfs/dbraw/zinc/69/79/50/1381697950.db2.gz MVXUQVOQUCLCEH-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(C3([NH3+])CCC3)no2)c1 ZINC001328379112 1388734050 /nfs/dbraw/zinc/73/40/50/1388734050.db2.gz MTOSMMVSAQBUQE-INIZCTEOSA-N 2 2 326.444 3.443 20 0 EGADLP Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(C3([NH3+])CCC3)no2)c1 ZINC001328379112 1388734053 /nfs/dbraw/zinc/73/40/53/1388734053.db2.gz MTOSMMVSAQBUQE-INIZCTEOSA-N 2 2 326.444 3.443 20 0 EGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4c(c3)C[NH2+]C4)c2c1 ZINC001159303675 1381757464 /nfs/dbraw/zinc/75/74/64/1381757464.db2.gz HNDOAVSHUZPIJU-UHFFFAOYSA-N 2 2 333.391 3.180 20 0 EGADLP CN(c1ccc(Nc2cnn([C@H]3CC[NH2+]C3)c2)c[nH+]1)C1CCCCC1 ZINC001159321447 1381761442 /nfs/dbraw/zinc/76/14/42/1381761442.db2.gz BTPXWWYWMLJIAN-SFHVURJKSA-N 2 2 340.475 3.325 20 0 EGADLP COc1c[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1NC(C)C ZINC001159392190 1381784568 /nfs/dbraw/zinc/78/45/68/1381784568.db2.gz ZXJSBWGQEYKCKQ-UHFFFAOYSA-N 2 2 335.496 3.369 20 0 EGADLP Cc1cc(Nc2cc(F)ccc2N2CC[NH2+]CC2)ccc1[NH+](C)C ZINC001160045367 1381978932 /nfs/dbraw/zinc/97/89/32/1381978932.db2.gz FZCXVRZMQBAKOC-UHFFFAOYSA-N 2 2 328.435 3.353 20 0 EGADLP FC1(F)C[NH2+]CC[C@@H]1Oc1ccc(Nc2ccc3c[nH+]cn3c2)cc1 ZINC001160347612 1382078462 /nfs/dbraw/zinc/07/84/62/1382078462.db2.gz FTSIKFZBPXPPIX-KRWDZBQOSA-N 2 2 344.365 3.454 20 0 EGADLP CCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423888 1382100316 /nfs/dbraw/zinc/10/03/16/1382100316.db2.gz YOPZGNHVMIRLFS-GOSISDBHSA-N 2 2 332.492 3.019 20 0 EGADLP CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423888 1382100319 /nfs/dbraw/zinc/10/03/19/1382100319.db2.gz YOPZGNHVMIRLFS-GOSISDBHSA-N 2 2 332.492 3.019 20 0 EGADLP Cc1cccc(C[NH2+]CCCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001160522175 1382130562 /nfs/dbraw/zinc/13/05/62/1382130562.db2.gz XCJDPOHDOJPDEN-LJQANCHMSA-N 2 2 342.487 3.075 20 0 EGADLP C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC001160664364 1382165084 /nfs/dbraw/zinc/16/50/84/1382165084.db2.gz DQOSQFUNHTXJGS-QGZVFWFLSA-N 2 2 339.487 3.068 20 0 EGADLP C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC001160664364 1382165089 /nfs/dbraw/zinc/16/50/89/1382165089.db2.gz DQOSQFUNHTXJGS-QGZVFWFLSA-N 2 2 339.487 3.068 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CC[C@@H]2CCC[C@H](C)C2)c[nH+]1 ZINC001160827349 1382210354 /nfs/dbraw/zinc/21/03/54/1382210354.db2.gz WPJNDQRDNJYTPC-WMZOPIPTSA-N 2 2 348.535 3.239 20 0 EGADLP O=C(NCCC[NH2+]CC/C=C\c1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001160990070 1382263607 /nfs/dbraw/zinc/26/36/07/1382263607.db2.gz CNHXWDVYHMFNMF-WTKPLQERSA-N 2 2 348.450 3.376 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541039 1382297506 /nfs/dbraw/zinc/29/75/06/1382297506.db2.gz LZDPRMLJEMGMSR-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001293541039 1382297509 /nfs/dbraw/zinc/29/75/09/1382297509.db2.gz LZDPRMLJEMGMSR-SJORKVTESA-N 2 2 340.471 3.061 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001293590304 1382309072 /nfs/dbraw/zinc/30/90/72/1382309072.db2.gz MXEMFCQJFGOLNH-LBPRGKRZSA-N 2 2 334.379 3.151 20 0 EGADLP Nc1cc(Cl)[nH+]c(NCC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC001161243487 1382352877 /nfs/dbraw/zinc/35/28/77/1382352877.db2.gz QQIATIDHBZLVCN-UHFFFAOYSA-N 2 2 331.851 3.036 20 0 EGADLP COc1cccc(CC2([NH3+])CCN(c3cc(SC)cc[nH+]3)CC2)c1 ZINC001162050155 1382614209 /nfs/dbraw/zinc/61/42/09/1382614209.db2.gz RIRBHRPJRLHREM-UHFFFAOYSA-N 2 2 343.496 3.353 20 0 EGADLP Cc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)nc(-c2ccccc2)[nH+]1 ZINC001163050230 1382954448 /nfs/dbraw/zinc/95/44/48/1382954448.db2.gz OYIAIXBITCGHSF-QGZVFWFLSA-N 2 2 347.466 3.475 20 0 EGADLP Cc1[nH+]c(C(C)(C)C)nc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1C ZINC001163056317 1382956864 /nfs/dbraw/zinc/95/68/64/1382956864.db2.gz DFOVZNIUIZBKNF-INIZCTEOSA-N 2 2 341.503 3.414 20 0 EGADLP CC(C)[C@H](Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)c1cccnc1 ZINC001163059838 1382957881 /nfs/dbraw/zinc/95/78/81/1382957881.db2.gz FAFVLEPFRPYFBP-IBGZPJMESA-N 2 2 325.460 3.038 20 0 EGADLP CC(C)c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001163278576 1383012133 /nfs/dbraw/zinc/01/21/33/1383012133.db2.gz JTYXBFDASBWJFV-HNAYVOBHSA-N 2 2 332.492 3.294 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@H]3CC[N@@H+](C(C)C)C[C@H]3C)c2[nH]1 ZINC001163360756 1383029959 /nfs/dbraw/zinc/02/99/59/1383029959.db2.gz FRTUAISLFFZELZ-HIFRSBDPSA-N 2 2 344.459 3.270 20 0 EGADLP CCOC(=O)c1cc2cc[nH+]c(N[C@H]3CC[N@H+](C(C)C)C[C@H]3C)c2[nH]1 ZINC001163360756 1383029963 /nfs/dbraw/zinc/02/99/63/1383029963.db2.gz FRTUAISLFFZELZ-HIFRSBDPSA-N 2 2 344.459 3.270 20 0 EGADLP COc1c[nH+]c(NCc2cccnc2C2CC[NH2+]CC2)c2[nH]ccc21 ZINC001163909651 1383135040 /nfs/dbraw/zinc/13/50/40/1383135040.db2.gz PWDXWLOCQPBEFR-UHFFFAOYSA-N 2 2 337.427 3.046 20 0 EGADLP CCCCC[NH2+]CC1(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001164540798 1383197612 /nfs/dbraw/zinc/19/76/12/1383197612.db2.gz OPUAOZRAZXMFQW-UHFFFAOYSA-N 2 2 342.487 3.323 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348184 1383605786 /nfs/dbraw/zinc/60/57/86/1383605786.db2.gz DMGYOKKZESPXHV-XFHJGTJQSA-N 2 2 346.519 3.457 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167422051 1383629386 /nfs/dbraw/zinc/62/93/86/1383629386.db2.gz HDWPYGFDPGZARR-MRXNPFEDSA-N 2 2 348.535 3.291 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167422051 1383629392 /nfs/dbraw/zinc/62/93/92/1383629392.db2.gz HDWPYGFDPGZARR-MRXNPFEDSA-N 2 2 348.535 3.291 20 0 EGADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001301660865 1383725429 /nfs/dbraw/zinc/72/54/29/1383725429.db2.gz HLGAFBJXZCHZKR-ZWKOTPCHSA-N 2 2 349.906 3.077 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001167835570 1383754097 /nfs/dbraw/zinc/75/40/97/1383754097.db2.gz RHXHZIPTZPFUTG-SFHVURJKSA-N 3 2 332.536 3.459 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3cccnc3n2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168007526 1383794914 /nfs/dbraw/zinc/79/49/14/1383794914.db2.gz SOQJKKNYXPRQIM-IZZQQSIFSA-N 2 2 349.482 3.261 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3cccnc3n2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007526 1383794919 /nfs/dbraw/zinc/79/49/19/1383794919.db2.gz SOQJKKNYXPRQIM-IZZQQSIFSA-N 2 2 349.482 3.261 20 0 EGADLP C[C@H]1CC([NH2+]Cc2ccnn2CCF)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168032471 1383800638 /nfs/dbraw/zinc/80/06/38/1383800638.db2.gz GPTBEBPMKJTBRG-IRXDYDNUSA-N 2 2 344.478 3.384 20 0 EGADLP CCC/C=C\CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168463107 1383913143 /nfs/dbraw/zinc/91/31/43/1383913143.db2.gz NAYNKICGLJDJST-PLNGDYQASA-N 2 2 346.519 3.286 20 0 EGADLP COC1CC[NH+](C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168744767 1383988399 /nfs/dbraw/zinc/98/83/99/1383988399.db2.gz RPVBEDIVOGGUIA-KRWDZBQOSA-N 2 2 348.918 3.382 20 0 EGADLP COC(=O)C1(C)CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001168759554 1383994156 /nfs/dbraw/zinc/99/41/56/1383994156.db2.gz XQVLBEXXCWOCGX-UHFFFAOYSA-N 2 2 345.487 3.010 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@H](C3CCC3)C(F)(F)F)c2)C1 ZINC001169287807 1384132238 /nfs/dbraw/zinc/13/22/38/1384132238.db2.gz OCTNSZYVVGONGF-GDBMZVCRSA-N 2 2 327.394 3.363 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@H](C3CCC3)C(F)(F)F)c2)C1 ZINC001169287807 1384132240 /nfs/dbraw/zinc/13/22/40/1384132240.db2.gz OCTNSZYVVGONGF-GDBMZVCRSA-N 2 2 327.394 3.363 20 0 EGADLP C[C@@H]1CN(c2ccc(NC3CC[NH+](C(C)(C)C)CC3)c[nH+]2)C[C@H](C)O1 ZINC001308730222 1384145275 /nfs/dbraw/zinc/14/52/75/1384145275.db2.gz DWGZWODGMCQDTD-IYBDPMFKSA-N 2 2 346.519 3.370 20 0 EGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169934981 1384200670 /nfs/dbraw/zinc/20/06/70/1384200670.db2.gz SIYOEJCBRFNJQM-HXUWFJFHSA-N 2 2 344.499 3.269 20 0 EGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169934981 1384200673 /nfs/dbraw/zinc/20/06/73/1384200673.db2.gz SIYOEJCBRFNJQM-HXUWFJFHSA-N 2 2 344.499 3.269 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001170418141 1384313314 /nfs/dbraw/zinc/31/33/14/1384313314.db2.gz PAWMVFDGAPLWIF-OAHLLOKOSA-N 2 2 347.484 3.306 20 0 EGADLP [NH3+]CCN(c1ccc(N2CCCC2)[nH+]c1)C12CC3CC(CC(C3)C1)C2 ZINC001170627850 1384353550 /nfs/dbraw/zinc/35/35/50/1384353550.db2.gz ZJTPFECOOUJDBZ-UHFFFAOYSA-N 2 2 340.515 3.416 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCCC[NH2+]CC3CCC3)ccn12 ZINC001170783269 1384384052 /nfs/dbraw/zinc/38/40/52/1384384052.db2.gz DPNMPLLKGZJJSR-OAHLLOKOSA-N 2 2 342.487 3.321 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999807 1384427825 /nfs/dbraw/zinc/42/78/25/1384427825.db2.gz DHXDDBIKRJCCNI-RTBURBONSA-N 2 2 346.490 3.258 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999807 1384427827 /nfs/dbraw/zinc/42/78/27/1384427827.db2.gz DHXDDBIKRJCCNI-RTBURBONSA-N 2 2 346.490 3.258 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC001171543788 1384557944 /nfs/dbraw/zinc/55/79/44/1384557944.db2.gz ONDIDTUIGXKWBE-AWEZNQCLSA-N 2 2 335.373 3.495 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171603512 1384576435 /nfs/dbraw/zinc/57/64/35/1384576435.db2.gz ALDSVVQJDQOHJA-MSOLQXFVSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H]1C[C@@H](NC(=[NH2+])c2cccnc2Cl)C[N@@H+]1Cc1ccccc1 ZINC001171732837 1384618094 /nfs/dbraw/zinc/61/80/94/1384618094.db2.gz GCNGZMSAYRRPCO-UKRRQHHQSA-N 2 2 328.847 3.313 20 0 EGADLP C[C@@H]1C[C@@H](NC(=[NH2+])c2cccnc2Cl)C[N@H+]1Cc1ccccc1 ZINC001171732837 1384618097 /nfs/dbraw/zinc/61/80/97/1384618097.db2.gz GCNGZMSAYRRPCO-UKRRQHHQSA-N 2 2 328.847 3.313 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171778638 1384632883 /nfs/dbraw/zinc/63/28/83/1384632883.db2.gz DZNWRYOVDLKNDZ-INIZCTEOSA-N 2 2 328.460 3.179 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171785042 1384636448 /nfs/dbraw/zinc/63/64/48/1384636448.db2.gz ZXTXYHZVBPRHDQ-HZPDHXFCSA-N 2 2 330.476 3.259 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797665 1384641322 /nfs/dbraw/zinc/64/13/22/1384641322.db2.gz XHDJDLZSXUGZHD-WIYYLYMNSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797665 1384641327 /nfs/dbraw/zinc/64/13/27/1384641327.db2.gz XHDJDLZSXUGZHD-WIYYLYMNSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797665 1384641329 /nfs/dbraw/zinc/64/13/29/1384641329.db2.gz XHDJDLZSXUGZHD-WIYYLYMNSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H]3Cc4cccc(F)c4C3)C2)C1 ZINC001171797665 1384641333 /nfs/dbraw/zinc/64/13/33/1384641333.db2.gz XHDJDLZSXUGZHD-WIYYLYMNSA-N 2 2 346.490 3.116 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC12CCC2 ZINC001171829968 1384653787 /nfs/dbraw/zinc/65/37/87/1384653787.db2.gz QBJIIXZJLRKKJZ-MRXNPFEDSA-N 2 2 348.491 3.185 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1[nH+]ccn1C ZINC001171895542 1384673099 /nfs/dbraw/zinc/67/30/99/1384673099.db2.gz AOFGPJQJOVWAON-MRXNPFEDSA-N 2 2 348.535 3.054 20 0 EGADLP CCOC(=O)C1(C)CCC([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001171957448 1384695883 /nfs/dbraw/zinc/69/58/83/1384695883.db2.gz PLDMRUXIDOHAGK-OHTSDLOESA-N 2 2 346.471 3.355 20 0 EGADLP CCOC(=O)C1(C)CCC([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001171957448 1384695887 /nfs/dbraw/zinc/69/58/87/1384695887.db2.gz PLDMRUXIDOHAGK-OHTSDLOESA-N 2 2 346.471 3.355 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705846 /nfs/dbraw/zinc/70/58/46/1384705846.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705848 /nfs/dbraw/zinc/70/58/48/1384705848.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705849 /nfs/dbraw/zinc/70/58/49/1384705849.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)C1 ZINC001171987318 1384705851 /nfs/dbraw/zinc/70/58/51/1384705851.db2.gz UFQLTCSOTJXBND-UNMCSNQZSA-N 3 2 341.543 3.457 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001172075378 1384720506 /nfs/dbraw/zinc/72/05/06/1384720506.db2.gz QHJBCWRAOCUEMJ-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCC24COC4)C3)cc1 ZINC001172075378 1384720508 /nfs/dbraw/zinc/72/05/08/1384720508.db2.gz QHJBCWRAOCUEMJ-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCCC24COC4)C3)cc1 ZINC001172075378 1384720513 /nfs/dbraw/zinc/72/05/13/1384720513.db2.gz QHJBCWRAOCUEMJ-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCCC24COC4)C3)cc1 ZINC001172075378 1384720521 /nfs/dbraw/zinc/72/05/21/1384720521.db2.gz QHJBCWRAOCUEMJ-PMOLBWCYSA-N 2 2 326.484 3.437 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127097 1384736536 /nfs/dbraw/zinc/73/65/36/1384736536.db2.gz GQVPHTRVEPVRID-BJWYYQGGSA-N 2 2 349.519 3.085 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127097 1384736538 /nfs/dbraw/zinc/73/65/38/1384736538.db2.gz GQVPHTRVEPVRID-BJWYYQGGSA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127097 1384736541 /nfs/dbraw/zinc/73/65/41/1384736541.db2.gz GQVPHTRVEPVRID-BJWYYQGGSA-N 2 2 349.519 3.085 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172127097 1384736548 /nfs/dbraw/zinc/73/65/48/1384736548.db2.gz GQVPHTRVEPVRID-BJWYYQGGSA-N 2 2 349.519 3.085 20 0 EGADLP Fc1c[nH+]ccc1N(C1CC[NH2+]CC1)[C@H]1CSc2ccccc2C1 ZINC001172209196 1384748991 /nfs/dbraw/zinc/74/89/91/1384748991.db2.gz ZUXNTZLSLIXKJX-MRXNPFEDSA-N 2 2 343.471 3.496 20 0 EGADLP CCC(CC)C[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317011519 1384775530 /nfs/dbraw/zinc/77/55/30/1384775530.db2.gz BITNXARRQYRFQU-GOSISDBHSA-N 2 2 342.487 3.177 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372338 1384779377 /nfs/dbraw/zinc/77/93/77/1384779377.db2.gz DYLHVCOUQOVWMK-IXDOHACOSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372338 1384779378 /nfs/dbraw/zinc/77/93/78/1384779378.db2.gz DYLHVCOUQOVWMK-IXDOHACOSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372338 1384779379 /nfs/dbraw/zinc/77/93/79/1384779379.db2.gz DYLHVCOUQOVWMK-IXDOHACOSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372338 1384779385 /nfs/dbraw/zinc/77/93/85/1384779385.db2.gz DYLHVCOUQOVWMK-IXDOHACOSA-N 2 2 333.524 3.149 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172453834 1384795434 /nfs/dbraw/zinc/79/54/34/1384795434.db2.gz ZITBAPIXGWUALQ-IRXDYDNUSA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001172453834 1384795437 /nfs/dbraw/zinc/79/54/37/1384795437.db2.gz ZITBAPIXGWUALQ-IRXDYDNUSA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001172453834 1384795441 /nfs/dbraw/zinc/79/54/41/1384795441.db2.gz ZITBAPIXGWUALQ-IRXDYDNUSA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001172453834 1384795444 /nfs/dbraw/zinc/79/54/44/1384795444.db2.gz ZITBAPIXGWUALQ-IRXDYDNUSA-N 2 2 336.524 3.304 20 0 EGADLP CCCC[C@@H]1C[C@@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172625255 1384821670 /nfs/dbraw/zinc/82/16/70/1384821670.db2.gz CXNFBQPXABXYPS-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP COC(=O)[C@H]1CCC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001172783692 1384851532 /nfs/dbraw/zinc/85/15/32/1384851532.db2.gz KZRQUHSQKWLDAD-RDJZCZTQSA-N 2 2 327.428 3.303 20 0 EGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172847634 1384864414 /nfs/dbraw/zinc/86/44/14/1384864414.db2.gz MNQHQKSVTGWZKR-KBPBESRZSA-N 2 2 340.870 3.253 20 0 EGADLP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172847634 1384864418 /nfs/dbraw/zinc/86/44/18/1384864418.db2.gz MNQHQKSVTGWZKR-KBPBESRZSA-N 2 2 340.870 3.253 20 0 EGADLP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001173250386 1384945049 /nfs/dbraw/zinc/94/50/49/1384945049.db2.gz RFMMSTGVWUNDPU-OWCLPIDISA-N 2 2 327.513 3.128 20 0 EGADLP COC(=O)CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001173445158 1384972136 /nfs/dbraw/zinc/97/21/36/1384972136.db2.gz LCWJHFXGPIRIPB-INIZCTEOSA-N 2 2 348.487 3.068 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001173633089 1384992636 /nfs/dbraw/zinc/99/26/36/1384992636.db2.gz PAMXKFQTJXQXOK-PBHICJAKSA-N 2 2 327.428 3.303 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661775 1384998281 /nfs/dbraw/zinc/99/82/81/1384998281.db2.gz SRSHUBSRJZMPBS-MJGOQNOKSA-N 2 2 341.455 3.426 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001173661775 1384998285 /nfs/dbraw/zinc/99/82/85/1384998285.db2.gz SRSHUBSRJZMPBS-MJGOQNOKSA-N 2 2 341.455 3.426 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC001174815396 1385153757 /nfs/dbraw/zinc/15/37/57/1385153757.db2.gz NQJXXXBPKWPFEE-UHFFFAOYSA-N 2 2 333.439 3.368 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175468305 1385301150 /nfs/dbraw/zinc/30/11/50/1385301150.db2.gz FXARPOHGWYRQRE-GJZGRUSLSA-N 2 2 346.450 3.117 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479395 1385305818 /nfs/dbraw/zinc/30/58/18/1385305818.db2.gz QUTBIBSVBRNRMK-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)n1 ZINC001335968262 1388979115 /nfs/dbraw/zinc/97/91/15/1388979115.db2.gz ZOTRSNCSHRSENC-HNNXBMFYSA-N 2 2 338.521 3.044 20 0 EGADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC001335968262 1388979119 /nfs/dbraw/zinc/97/91/19/1388979119.db2.gz ZOTRSNCSHRSENC-HNNXBMFYSA-N 2 2 338.521 3.044 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175628950 1385356360 /nfs/dbraw/zinc/35/63/60/1385356360.db2.gz HVCRAXUJRDMOHI-IRXDYDNUSA-N 2 2 342.487 3.053 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175628950 1385356363 /nfs/dbraw/zinc/35/63/63/1385356363.db2.gz HVCRAXUJRDMOHI-IRXDYDNUSA-N 2 2 342.487 3.053 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638205 1385358910 /nfs/dbraw/zinc/35/89/10/1385358910.db2.gz MAXQQBPOSXMXLF-LSDHHAIUSA-N 2 2 348.516 3.115 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638205 1385358915 /nfs/dbraw/zinc/35/89/15/1385358915.db2.gz MAXQQBPOSXMXLF-LSDHHAIUSA-N 2 2 348.516 3.115 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881361 1385428982 /nfs/dbraw/zinc/42/89/82/1385428982.db2.gz OKEFBTFSJMJMNS-CABCVRRESA-N 2 2 346.450 3.117 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001176174502 1385502396 /nfs/dbraw/zinc/50/23/96/1385502396.db2.gz GVVUTRRMSGJFTD-INIZCTEOSA-N 2 2 336.524 3.054 20 0 EGADLP C[N@H+](CCC1CCCCCC1)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317854102 1385536741 /nfs/dbraw/zinc/53/67/41/1385536741.db2.gz ORZYOMNJUYYNSN-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCCCC1)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317854102 1385536747 /nfs/dbraw/zinc/53/67/47/1385536747.db2.gz ORZYOMNJUYYNSN-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176351451 1385559805 /nfs/dbraw/zinc/55/98/05/1385559805.db2.gz UIKGYWOFDSPDKL-HNNXBMFYSA-N 2 2 334.508 3.106 20 0 EGADLP Cc1cn2c(cccc2Nc2ccc(CC[NH+]3CCOCC3)cc2)[nH+]1 ZINC001176378066 1385568774 /nfs/dbraw/zinc/56/87/74/1385568774.db2.gz FFJDVYRAZAKCQQ-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cn2)C1 ZINC001177743571 1386032364 /nfs/dbraw/zinc/03/23/64/1386032364.db2.gz NCGGFAIQTAUHNZ-CYBMUJFWSA-N 2 2 326.282 3.054 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cn2)C1 ZINC001177743571 1386032366 /nfs/dbraw/zinc/03/23/66/1386032366.db2.gz NCGGFAIQTAUHNZ-CYBMUJFWSA-N 2 2 326.282 3.054 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(F)ccc3F)[nH+]c2)C1 ZINC001178232047 1386166680 /nfs/dbraw/zinc/16/66/80/1386166680.db2.gz MOTRLLNMUKMHHA-INIZCTEOSA-N 2 2 332.398 3.112 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)n1C ZINC001178492644 1386234939 /nfs/dbraw/zinc/23/49/39/1386234939.db2.gz MLZZJGYINGVVSQ-HXUWFJFHSA-N 2 2 348.450 3.068 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178649650 1386269176 /nfs/dbraw/zinc/26/91/76/1386269176.db2.gz SMMFCEBWXNCJHS-UHFFFAOYSA-N 2 2 332.492 3.109 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CC1=CCCCC1 ZINC001178649650 1386269179 /nfs/dbraw/zinc/26/91/79/1386269179.db2.gz SMMFCEBWXNCJHS-UHFFFAOYSA-N 2 2 332.492 3.109 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([C@@H](C)[NH2+]CC(C)C)C3)ccn12 ZINC001319804962 1386304536 /nfs/dbraw/zinc/30/45/36/1386304536.db2.gz FVKKQSIYWXMCQD-AEFFLSMTSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1cc(C)c(C(=O)NCCCCCC[NH2+]CCC[C@H](C)O)c(C)[nH+]1 ZINC001179084545 1386395325 /nfs/dbraw/zinc/39/53/25/1386395325.db2.gz AMWBZPVZBLSONP-KRWDZBQOSA-N 2 2 349.519 3.048 20 0 EGADLP CC[C@@H](C[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001179084622 1386395975 /nfs/dbraw/zinc/39/59/75/1386395975.db2.gz FIWKURWRAQVLHY-SFHVURJKSA-N 2 2 349.519 3.312 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)CCc1[nH+]ccn1C ZINC001179097152 1386399967 /nfs/dbraw/zinc/39/99/67/1386399967.db2.gz DMFXUCJBQNDBDO-UHFFFAOYSA-N 2 2 336.524 3.055 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517248 1386504213 /nfs/dbraw/zinc/50/42/13/1386504213.db2.gz NYBDXDJLRXEIPK-QHKVPUKUSA-N 2 2 344.503 3.155 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C)n1cc[nH+]c1 ZINC001179622736 1386533651 /nfs/dbraw/zinc/53/36/51/1386533651.db2.gz OGHTXTAYSLPEAO-ULQDDVLXSA-N 2 2 334.508 3.240 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179776723 1386581051 /nfs/dbraw/zinc/58/10/51/1386581051.db2.gz GOVBREFLZUQIHY-KRWDZBQOSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCC1CCCC1 ZINC001179776723 1386581055 /nfs/dbraw/zinc/58/10/55/1386581055.db2.gz GOVBREFLZUQIHY-KRWDZBQOSA-N 2 2 348.535 3.435 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC001179841253 1386603867 /nfs/dbraw/zinc/60/38/67/1386603867.db2.gz UZOAWPGOJWDMAF-LPHOPBHVSA-N 2 2 338.455 3.031 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321564622 1386930613 /nfs/dbraw/zinc/93/06/13/1386930613.db2.gz UQRZCKLXWQPBKV-GFCCVEGCSA-N 2 2 342.830 3.124 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001321897744 1387005920 /nfs/dbraw/zinc/00/59/20/1387005920.db2.gz QRTYQLFQUYNLMZ-HNNXBMFYSA-N 2 2 336.439 3.088 20 0 EGADLP Cc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)[nH+]c2ccccc12 ZINC001336476981 1389108073 /nfs/dbraw/zinc/10/80/73/1389108073.db2.gz OJRGJTLOLDTHCW-UHFFFAOYSA-N 2 2 338.499 3.007 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001336782187 1389168252 /nfs/dbraw/zinc/16/82/52/1389168252.db2.gz YFLCRWPLRJZGTD-ZWKOTPCHSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001336782187 1389168256 /nfs/dbraw/zinc/16/82/56/1389168256.db2.gz YFLCRWPLRJZGTD-ZWKOTPCHSA-N 2 2 333.451 3.069 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCC1 ZINC001329742398 1389215698 /nfs/dbraw/zinc/21/56/98/1389215698.db2.gz NOLPGHMLYOTHLJ-QGZVFWFLSA-N 2 2 342.487 3.211 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950299 1389270583 /nfs/dbraw/zinc/27/05/83/1389270583.db2.gz AKQJNAMBZLNACO-QGZVFWFLSA-N 2 2 334.508 3.058 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329950299 1389270589 /nfs/dbraw/zinc/27/05/89/1389270589.db2.gz AKQJNAMBZLNACO-QGZVFWFLSA-N 2 2 334.508 3.058 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC001334355752 1390524268 /nfs/dbraw/zinc/52/42/68/1390524268.db2.gz QFKRALGEFDJFCA-OALUTQOASA-N 2 2 327.472 3.142 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)C1CC1 ZINC001334355752 1390524270 /nfs/dbraw/zinc/52/42/70/1390524270.db2.gz QFKRALGEFDJFCA-OALUTQOASA-N 2 2 327.472 3.142 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001343355344 1390709087 /nfs/dbraw/zinc/70/90/87/1390709087.db2.gz YRGNGHIFWNHOGW-GDBMZVCRSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC001343355344 1390709088 /nfs/dbraw/zinc/70/90/88/1390709088.db2.gz YRGNGHIFWNHOGW-GDBMZVCRSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001343355344 1390709090 /nfs/dbraw/zinc/70/90/90/1390709090.db2.gz YRGNGHIFWNHOGW-GDBMZVCRSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC001343355344 1390709091 /nfs/dbraw/zinc/70/90/91/1390709091.db2.gz YRGNGHIFWNHOGW-GDBMZVCRSA-N 2 2 336.549 3.214 20 0 EGADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481877293 1394572362 /nfs/dbraw/zinc/57/23/62/1394572362.db2.gz RRLUKJIQDACWKD-QGZVFWFLSA-N 2 2 348.535 3.054 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001485394244 1395885568 /nfs/dbraw/zinc/88/55/68/1395885568.db2.gz GIVOLDCHGOODOB-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001485394244 1395885572 /nfs/dbraw/zinc/88/55/72/1395885572.db2.gz GIVOLDCHGOODOB-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001689902929 1404196531 /nfs/dbraw/zinc/19/65/31/1404196531.db2.gz OXWGGVQLCFOWOY-BRCRUXRRSA-N 2 2 346.862 3.288 20 0 EGADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001690291378 1404451566 /nfs/dbraw/zinc/45/15/66/1404451566.db2.gz VRLCOZXEKBEZLT-DSLXNQLJSA-N 2 2 340.471 3.222 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983669 1404897791 /nfs/dbraw/zinc/89/77/91/1404897791.db2.gz TZQBALLQZURFCK-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983669 1404897795 /nfs/dbraw/zinc/89/77/95/1404897795.db2.gz TZQBALLQZURFCK-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983669 1404897798 /nfs/dbraw/zinc/89/77/98/1404897798.db2.gz TZQBALLQZURFCK-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001690983669 1404897803 /nfs/dbraw/zinc/89/78/03/1404897803.db2.gz TZQBALLQZURFCK-KBPBESRZSA-N 2 2 348.878 3.051 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691969340 1405686403 /nfs/dbraw/zinc/68/64/03/1405686403.db2.gz XICFIRYOXYVCOQ-KRWDZBQOSA-N 2 2 342.487 3.164 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001691969340 1405686405 /nfs/dbraw/zinc/68/64/05/1405686405.db2.gz XICFIRYOXYVCOQ-KRWDZBQOSA-N 2 2 342.487 3.164 20 0 EGADLP C[C@H](CC(=O)N1CCC([N@H+](C)CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001700696712 1414354422 /nfs/dbraw/zinc/35/44/22/1414354422.db2.gz MVQQQHBCXZDVCJ-QGZVFWFLSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001700696712 1414354425 /nfs/dbraw/zinc/35/44/25/1414354425.db2.gz MVQQQHBCXZDVCJ-QGZVFWFLSA-N 2 2 346.519 3.337 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053042 1429193544 /nfs/dbraw/zinc/19/35/44/1429193544.db2.gz IBYSHGCVTGZTRB-CXAGYDPISA-N 2 2 348.878 3.193 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053042 1429193545 /nfs/dbraw/zinc/19/35/45/1429193545.db2.gz IBYSHGCVTGZTRB-CXAGYDPISA-N 2 2 348.878 3.193 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001713137332 1417720751 /nfs/dbraw/zinc/72/07/51/1417720751.db2.gz YSQPWFIFEORADP-AEFFLSMTSA-N 2 2 348.535 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001713137332 1417720756 /nfs/dbraw/zinc/72/07/56/1417720756.db2.gz YSQPWFIFEORADP-AEFFLSMTSA-N 2 2 348.535 3.113 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001713836842 1418635093 /nfs/dbraw/zinc/63/50/93/1418635093.db2.gz UKCGAORNGHZBNX-MRXNPFEDSA-N 2 2 343.515 3.013 20 0 EGADLP C[C@@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548882 1419275274 /nfs/dbraw/zinc/27/52/74/1419275274.db2.gz UJQGLAQQQSMISV-HZPDHXFCSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@@H]1CCC[C@H](CC[N@@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001714548882 1419275277 /nfs/dbraw/zinc/27/52/77/1419275277.db2.gz UJQGLAQQQSMISV-HZPDHXFCSA-N 2 2 342.487 3.441 20 0 EGADLP O=C(N[C@H](C[NH2+]CC1CC1)C1CCCCC1)c1cccc2[nH+]ccn21 ZINC001714979971 1419714969 /nfs/dbraw/zinc/71/49/69/1419714969.db2.gz WQHNCSUWCSZQEC-QGZVFWFLSA-N 2 2 340.471 3.013 20 0 EGADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257834 1419979797 /nfs/dbraw/zinc/97/97/97/1419979797.db2.gz OHUBYQPFOLTGJT-CVEARBPZSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257834 1419979800 /nfs/dbraw/zinc/97/98/00/1419979800.db2.gz OHUBYQPFOLTGJT-CVEARBPZSA-N 2 2 348.535 3.147 20 0 EGADLP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715588544 1420261916 /nfs/dbraw/zinc/26/19/16/1420261916.db2.gz PTSPQJHQLXRJKH-GOSISDBHSA-N 2 2 348.535 3.289 20 0 EGADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715588544 1420261919 /nfs/dbraw/zinc/26/19/19/1420261919.db2.gz PTSPQJHQLXRJKH-GOSISDBHSA-N 2 2 348.535 3.289 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001716514451 1420744696 /nfs/dbraw/zinc/74/46/96/1420744696.db2.gz BYBWCZWXCKEQFQ-RBUKOAKNSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001716901824 1421033914 /nfs/dbraw/zinc/03/39/14/1421033914.db2.gz QHLWZOQXNINXFX-OXJNMPFZSA-N 2 2 348.535 3.161 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001716901824 1421033915 /nfs/dbraw/zinc/03/39/15/1421033915.db2.gz QHLWZOQXNINXFX-OXJNMPFZSA-N 2 2 348.535 3.161 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242930 1425854782 /nfs/dbraw/zinc/85/47/82/1425854782.db2.gz WQNUKMUCYOXNME-ZWKOTPCHSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242930 1425854791 /nfs/dbraw/zinc/85/47/91/1425854791.db2.gz WQNUKMUCYOXNME-ZWKOTPCHSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731514917 1427502182 /nfs/dbraw/zinc/50/21/82/1427502182.db2.gz AVDLJDTYOQUHNH-MRXNPFEDSA-N 2 2 342.487 3.441 20 0 EGADLP CC[N@H+](CCCC1CCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001733920242 1437733567 /nfs/dbraw/zinc/73/35/67/1437733567.db2.gz AUFVUBDQUZELKE-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CCCC1CCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001733920242 1437733568 /nfs/dbraw/zinc/73/35/68/1437733568.db2.gz AUFVUBDQUZELKE-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+][C@H](C)c1ccccc1 ZINC001734023823 1437812110 /nfs/dbraw/zinc/81/21/10/1437812110.db2.gz QMVUUJOEQXIDAI-OAHLLOKOSA-N 2 2 342.487 3.096 20 0 EGADLP C[C@H](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC001753014317 1440267937 /nfs/dbraw/zinc/26/79/37/1440267937.db2.gz JTXRDRLAWVXIGQ-IAGOWNOFSA-N 2 2 334.508 3.289 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)CCC2CCCCCC2)c[nH+]1 ZINC001753053097 1440280064 /nfs/dbraw/zinc/28/00/64/1440280064.db2.gz JXRSGKCGQPDLLP-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)CCC2CCCCCC2)c[nH+]1 ZINC001753053097 1440280065 /nfs/dbraw/zinc/28/00/65/1440280065.db2.gz JXRSGKCGQPDLLP-UHFFFAOYSA-N 2 2 348.535 3.335 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)c1cccc(C)c1 ZINC001753090334 1440298890 /nfs/dbraw/zinc/29/88/90/1440298890.db2.gz ONOYXTPZMDTKIA-QZTJIDSGSA-N 2 2 342.487 3.342 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)c1cccc(C)c1 ZINC001753090334 1440298891 /nfs/dbraw/zinc/29/88/91/1440298891.db2.gz ONOYXTPZMDTKIA-QZTJIDSGSA-N 2 2 342.487 3.342 20 0 EGADLP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753288263 1440349300 /nfs/dbraw/zinc/34/93/00/1440349300.db2.gz KDFBDKWWDBTHIW-ZZXKWVIFSA-N 2 2 334.851 3.146 20 0 EGADLP CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753288263 1440349301 /nfs/dbraw/zinc/34/93/01/1440349301.db2.gz KDFBDKWWDBTHIW-ZZXKWVIFSA-N 2 2 334.851 3.146 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001753368279 1440386478 /nfs/dbraw/zinc/38/64/78/1440386478.db2.gz JPWGFOUNBPLBGR-VGRIIWOTSA-N 2 2 332.492 3.161 20 0 EGADLP CC(C)(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753422017 1440395578 /nfs/dbraw/zinc/39/55/78/1440395578.db2.gz GHCVRITWXODQCC-HOTGVXAUSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)(C)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753422017 1440395579 /nfs/dbraw/zinc/39/55/79/1440395579.db2.gz GHCVRITWXODQCC-HOTGVXAUSA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1=CCCCC1 ZINC001753479041 1440415877 /nfs/dbraw/zinc/41/58/77/1440415877.db2.gz LIHGURRHQQTENB-KRWDZBQOSA-N 2 2 340.471 3.323 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001753535123 1440432316 /nfs/dbraw/zinc/43/23/16/1440432316.db2.gz CYOJBBVVTPFTDB-MGPUTAFESA-N 2 2 348.535 3.352 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001753756275 1440483253 /nfs/dbraw/zinc/48/32/53/1440483253.db2.gz BXNDNGNCRYZQMA-ZBFHGGJFSA-N 2 2 342.487 3.439 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001753789126 1440488745 /nfs/dbraw/zinc/48/87/45/1440488745.db2.gz YASPOCCLNPZLLY-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]CC2CCC(C)CC2)c[nH+]1 ZINC001753975165 1440527441 /nfs/dbraw/zinc/52/74/41/1440527441.db2.gz AERYLCUPPHBQMF-PQUAAJSLSA-N 2 2 348.535 3.237 20 0 EGADLP CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754054185 1440536076 /nfs/dbraw/zinc/53/60/76/1440536076.db2.gz RTEZJFNQLGTFID-IBGZPJMESA-N 2 2 348.450 3.302 20 0 EGADLP C[C@@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC001754213618 1440551445 /nfs/dbraw/zinc/55/14/45/1440551445.db2.gz ZCXQSQKHYLBFJP-LAQIPUCWSA-N 2 2 348.450 3.060 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001754234016 1440554582 /nfs/dbraw/zinc/55/45/82/1440554582.db2.gz NKDLCMJZIXPDFY-NVXWUHKLSA-N 2 2 336.439 3.194 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cs1 ZINC001754272002 1440561566 /nfs/dbraw/zinc/56/15/66/1440561566.db2.gz NUPAVKGWLMRWEE-WMLDXEAASA-N 2 2 348.516 3.135 20 0 EGADLP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754317153 1440576149 /nfs/dbraw/zinc/57/61/49/1440576149.db2.gz XJTIYHSRDAAMAR-CQSZACIVSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754317153 1440576150 /nfs/dbraw/zinc/57/61/50/1440576150.db2.gz XJTIYHSRDAAMAR-CQSZACIVSA-N 2 2 340.471 3.193 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754544054 1440626868 /nfs/dbraw/zinc/62/68/68/1440626868.db2.gz JSKAJBGHLLGIQG-JQRVFGMCSA-N 2 2 344.503 3.256 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754544054 1440626869 /nfs/dbraw/zinc/62/68/69/1440626869.db2.gz JSKAJBGHLLGIQG-JQRVFGMCSA-N 2 2 344.503 3.256 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001754795898 1440689457 /nfs/dbraw/zinc/68/94/57/1440689457.db2.gz UUANOHARWAEXCM-GDBMZVCRSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)(C)/C=C\C(=O)NCC[NH+]1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001754847267 1440699512 /nfs/dbraw/zinc/69/95/12/1440699512.db2.gz MHYHIJGULMMLJW-YFHOEESVSA-N 2 2 337.552 3.195 20 0 EGADLP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001754948937 1440714422 /nfs/dbraw/zinc/71/44/22/1440714422.db2.gz SFBJYFTUANHKIC-HOTGVXAUSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001754948937 1440714423 /nfs/dbraw/zinc/71/44/23/1440714423.db2.gz SFBJYFTUANHKIC-HOTGVXAUSA-N 2 2 342.487 3.211 20 0 EGADLP C[C@@H](CC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001755045892 1440740850 /nfs/dbraw/zinc/74/08/50/1440740850.db2.gz MFZBRXGHJAVISK-ROUUACIJSA-N 2 2 342.487 3.376 20 0 EGADLP C[C@@H](CC(=O)N(C)CCC[N@@H+](C)[C@@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001755045892 1440740851 /nfs/dbraw/zinc/74/08/51/1440740851.db2.gz MFZBRXGHJAVISK-ROUUACIJSA-N 2 2 342.487 3.376 20 0 EGADLP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001755073214 1440747415 /nfs/dbraw/zinc/74/74/15/1440747415.db2.gz LCMBHFRXUQYNMP-BQYQJAHWSA-N 2 2 346.519 3.404 20 0 EGADLP CCCCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001755109603 1440754127 /nfs/dbraw/zinc/75/41/27/1440754127.db2.gz CRMZPHGITNODCS-KBXCAEBGSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755130065 1440756915 /nfs/dbraw/zinc/75/69/15/1440756915.db2.gz DCRCXXULKRHYQP-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP Cc1cccn2cc(CC(=O)NC3(C[NH2+]C(C)C)CCCCC3)[nH+]c12 ZINC001755354051 1440828934 /nfs/dbraw/zinc/82/89/34/1440828934.db2.gz CPOZJIFXIBPJGG-UHFFFAOYSA-N 2 2 342.487 3.002 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C ZINC001755368680 1440836478 /nfs/dbraw/zinc/83/64/78/1440836478.db2.gz VBXIPRDWGQSTQZ-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@H+]1CCC(C)(C)C ZINC001755368680 1440836479 /nfs/dbraw/zinc/83/64/79/1440836479.db2.gz VBXIPRDWGQSTQZ-MRXNPFEDSA-N 2 2 334.508 3.058 20 0 EGADLP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001755376578 1440838297 /nfs/dbraw/zinc/83/82/97/1440838297.db2.gz GMUYZDFSJPMHSS-JFDDCEBESA-N 2 2 340.471 3.049 20 0 EGADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H]1CCc2ccccc21 ZINC001755593192 1440881953 /nfs/dbraw/zinc/88/19/53/1440881953.db2.gz TZMIIJATNDDEKJ-IFXJQAMLSA-N 2 2 348.450 3.301 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001755613841 1440888056 /nfs/dbraw/zinc/88/80/56/1440888056.db2.gz IDNIWDXYBPWSJA-CVEARBPZSA-N 2 2 342.487 3.075 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755833344 1440929374 /nfs/dbraw/zinc/92/93/74/1440929374.db2.gz ISNWJNARTMMQRR-QGZVFWFLSA-N 2 2 334.508 3.043 20 0 EGADLP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001755849052 1440934332 /nfs/dbraw/zinc/93/43/32/1440934332.db2.gz WJYQXDKNLJLZIY-RLPYKWQISA-N 2 2 344.503 3.086 20 0 EGADLP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001755849052 1440934333 /nfs/dbraw/zinc/93/43/33/1440934333.db2.gz WJYQXDKNLJLZIY-RLPYKWQISA-N 2 2 344.503 3.086 20 0 EGADLP CC[C@H](C)C[NH+]1CCC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755849151 1440934380 /nfs/dbraw/zinc/93/43/80/1440934380.db2.gz ZULIKKYNZRMWHU-RDJZCZTQSA-N 2 2 348.535 3.189 20 0 EGADLP C[C@@H](CC(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755894794 1440942242 /nfs/dbraw/zinc/94/22/42/1440942242.db2.gz YHDCKNZJSCCUTM-KRWDZBQOSA-N 2 2 344.503 3.163 20 0 EGADLP C[C@@H](CC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755894794 1440942243 /nfs/dbraw/zinc/94/22/43/1440942243.db2.gz YHDCKNZJSCCUTM-KRWDZBQOSA-N 2 2 344.503 3.163 20 0 EGADLP Clc1nccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1Cl ZINC000368097862 168311137 /nfs/dbraw/zinc/31/11/37/168311137.db2.gz IHGFWGXTHIUIDI-UHFFFAOYSA-N 2 2 334.210 3.259 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)[C@@H]3OCCc4sccc43)c[nH+]c12 ZINC000368371480 168347806 /nfs/dbraw/zinc/34/78/06/168347806.db2.gz WFAHAAHBPDSGJR-GUYCJALGSA-N 2 2 327.453 3.496 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000363991316 282174557 /nfs/dbraw/zinc/17/45/57/282174557.db2.gz UTMIKDFKDSUSAF-YSSFQJQWSA-N 2 2 336.483 3.067 20 0 EGADLP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+]([C@@H](C)c3ccccc3)C1)C2 ZINC000363991316 282174558 /nfs/dbraw/zinc/17/45/58/282174558.db2.gz UTMIKDFKDSUSAF-YSSFQJQWSA-N 2 2 336.483 3.067 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000342659346 282207014 /nfs/dbraw/zinc/20/70/14/282207014.db2.gz GXNROGDTYCKUMP-UHFFFAOYSA-N 2 2 339.270 3.321 20 0 EGADLP CCc1ccc([C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCO2)cc1 ZINC000191669217 529716887 /nfs/dbraw/zinc/71/68/87/529716887.db2.gz BHEKRZIIKNZWIK-FQEVSTJZSA-N 2 2 348.450 3.403 20 0 EGADLP CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCO2)cc1 ZINC000191669217 529716888 /nfs/dbraw/zinc/71/68/88/529716888.db2.gz BHEKRZIIKNZWIK-FQEVSTJZSA-N 2 2 348.450 3.403 20 0 EGADLP C[C@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC[NH2+]1 ZINC000180991819 234053470 /nfs/dbraw/zinc/05/34/70/234053470.db2.gz DPDTVLUBNCQXSG-HXUWFJFHSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129386841 223050725 /nfs/dbraw/zinc/05/07/25/223050725.db2.gz PDSKPGVXYNXSSG-JCGIZDLHSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129386841 223050728 /nfs/dbraw/zinc/05/07/28/223050728.db2.gz PDSKPGVXYNXSSG-JCGIZDLHSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129594578 223072879 /nfs/dbraw/zinc/07/28/79/223072879.db2.gz YBSLUXCIRPFRAV-CZUORRHYSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129594578 223072884 /nfs/dbraw/zinc/07/28/84/223072884.db2.gz YBSLUXCIRPFRAV-CZUORRHYSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129684359 223080786 /nfs/dbraw/zinc/08/07/86/223080786.db2.gz OQTJAUHWMJDNAQ-RHSMWYFYSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129684359 223080788 /nfs/dbraw/zinc/08/07/88/223080788.db2.gz OQTJAUHWMJDNAQ-RHSMWYFYSA-N 2 2 326.444 3.022 20 0 EGADLP CCn1c2ccccc2[nH+]c1NCc1ccc(N(C)CCOC)[nH+]c1 ZINC000191557620 239184079 /nfs/dbraw/zinc/18/40/79/239184079.db2.gz GWPSREUGAXFAIM-UHFFFAOYSA-N 2 2 339.443 3.146 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000230306969 242258297 /nfs/dbraw/zinc/25/82/97/242258297.db2.gz KUFKMVNPENEVJM-SNVBAGLBSA-N 2 2 345.231 3.301 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000230306969 242258301 /nfs/dbraw/zinc/25/83/01/242258301.db2.gz KUFKMVNPENEVJM-SNVBAGLBSA-N 2 2 345.231 3.301 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)n2)ccc1F ZINC000246347871 243234251 /nfs/dbraw/zinc/23/42/51/243234251.db2.gz IXXUEWCIAJSMJI-KBPBESRZSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)n2)ccc1F ZINC000246347871 243234255 /nfs/dbraw/zinc/23/42/55/243234255.db2.gz IXXUEWCIAJSMJI-KBPBESRZSA-N 2 2 332.423 3.129 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264233512 246216816 /nfs/dbraw/zinc/21/68/16/246216816.db2.gz MWRNVEVWXDBFSO-QZTJIDSGSA-N 2 2 340.471 3.199 20 0 EGADLP C[C@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C[NH+]1CCCC1 ZINC000264932092 247058330 /nfs/dbraw/zinc/05/83/30/247058330.db2.gz XVTAMLXIQWYOSM-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP c1cn(CCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c[nH+]1 ZINC000265081379 247184079 /nfs/dbraw/zinc/18/40/79/247184079.db2.gz ZQODMIUZFVBYSQ-UHFFFAOYSA-N 2 2 337.427 3.162 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377265488 169004429 /nfs/dbraw/zinc/00/44/29/169004429.db2.gz GCNJHJUGGXYFAS-KRWDZBQOSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000377265488 169004432 /nfs/dbraw/zinc/00/44/32/169004432.db2.gz GCNJHJUGGXYFAS-KRWDZBQOSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012144 /nfs/dbraw/zinc/01/21/44/169012144.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012148 /nfs/dbraw/zinc/01/21/48/169012148.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012149 /nfs/dbraw/zinc/01/21/49/169012149.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377337844 169012151 /nfs/dbraw/zinc/01/21/51/169012151.db2.gz QNMJBWDYZYNRPO-NHCUHLMSSA-N 3 2 338.499 3.036 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000378282511 169096100 /nfs/dbraw/zinc/09/61/00/169096100.db2.gz WIHJKBPKJRMRTJ-CYBMUJFWSA-N 2 2 325.334 3.308 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000378282511 169096101 /nfs/dbraw/zinc/09/61/01/169096101.db2.gz WIHJKBPKJRMRTJ-CYBMUJFWSA-N 2 2 325.334 3.308 20 0 EGADLP O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000378522308 169135323 /nfs/dbraw/zinc/13/53/23/169135323.db2.gz XDQVDTPHGJQCFR-HXUWFJFHSA-N 2 2 337.398 3.105 20 0 EGADLP O[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000378522308 169135325 /nfs/dbraw/zinc/13/53/25/169135325.db2.gz XDQVDTPHGJQCFR-HXUWFJFHSA-N 2 2 337.398 3.105 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]2CCCO[C@@H]21 ZINC000378551846 169138406 /nfs/dbraw/zinc/13/84/06/169138406.db2.gz PIQKWWXCGRIORO-ZNMIVQPWSA-N 2 2 334.426 3.196 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043402 218108921 /nfs/dbraw/zinc/10/89/21/218108921.db2.gz ZRVPNHQSROQERQ-QAPCUYQASA-N 2 2 328.435 3.132 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043402 218108923 /nfs/dbraw/zinc/10/89/23/218108923.db2.gz ZRVPNHQSROQERQ-QAPCUYQASA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043402 218108924 /nfs/dbraw/zinc/10/89/24/218108924.db2.gz ZRVPNHQSROQERQ-QAPCUYQASA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043402 218108926 /nfs/dbraw/zinc/10/89/26/218108926.db2.gz ZRVPNHQSROQERQ-QAPCUYQASA-N 2 2 328.435 3.132 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000092043341 218109231 /nfs/dbraw/zinc/10/92/31/218109231.db2.gz OMTQVUOBPUPGLT-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000092043341 218109233 /nfs/dbraw/zinc/10/92/33/218109233.db2.gz OMTQVUOBPUPGLT-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000092043341 218109236 /nfs/dbraw/zinc/10/92/36/218109236.db2.gz OMTQVUOBPUPGLT-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000092043341 218109239 /nfs/dbraw/zinc/10/92/39/218109239.db2.gz OMTQVUOBPUPGLT-BBRMVZONSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645258 218155947 /nfs/dbraw/zinc/15/59/47/218155947.db2.gz NQZGPWMWCBLYQE-UHFFFAOYSA-N 2 2 339.483 3.229 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645258 218155951 /nfs/dbraw/zinc/15/59/51/218155951.db2.gz NQZGPWMWCBLYQE-UHFFFAOYSA-N 2 2 339.483 3.229 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000093597204 218234578 /nfs/dbraw/zinc/23/45/78/218234578.db2.gz MIFSJINNNGLLGV-CQSZACIVSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000093597204 218234580 /nfs/dbraw/zinc/23/45/80/218234580.db2.gz MIFSJINNNGLLGV-CQSZACIVSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1OC ZINC000093563761 218232851 /nfs/dbraw/zinc/23/28/51/218232851.db2.gz YFNHQNAPMCSKNI-KRWDZBQOSA-N 2 2 348.487 3.163 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1OC ZINC000093563761 218232853 /nfs/dbraw/zinc/23/28/53/218232853.db2.gz YFNHQNAPMCSKNI-KRWDZBQOSA-N 2 2 348.487 3.163 20 0 EGADLP O=C(C[NH+]1CCCCCCC1)Nc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000095428937 218372103 /nfs/dbraw/zinc/37/21/03/218372103.db2.gz BJLUUUZHYJIHHY-UHFFFAOYSA-N 2 2 341.459 3.226 20 0 EGADLP COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268746532 252196994 /nfs/dbraw/zinc/19/69/94/252196994.db2.gz HWUYZFDWKJJBJU-YWZLYKJASA-N 2 2 337.423 3.265 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268788980 252240469 /nfs/dbraw/zinc/24/04/69/252240469.db2.gz WZQMLHRRKNYOIF-UHFFFAOYSA-N 3 2 335.511 3.153 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268788980 252240471 /nfs/dbraw/zinc/24/04/71/252240471.db2.gz WZQMLHRRKNYOIF-UHFFFAOYSA-N 3 2 335.511 3.153 20 0 EGADLP C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000118835672 221192519 /nfs/dbraw/zinc/19/25/19/221192519.db2.gz MYYCVUYYINKVNL-GOSISDBHSA-N 2 2 347.466 3.146 20 0 EGADLP CCc1noc(C)c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000119512291 221336864 /nfs/dbraw/zinc/33/68/64/221336864.db2.gz FEAGWMYDBSJVME-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1noc(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000119512291 221336866 /nfs/dbraw/zinc/33/68/66/221336866.db2.gz FEAGWMYDBSJVME-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000119512291 221336868 /nfs/dbraw/zinc/33/68/68/221336868.db2.gz FEAGWMYDBSJVME-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1noc(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000119512291 221336870 /nfs/dbraw/zinc/33/68/70/221336870.db2.gz FEAGWMYDBSJVME-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000237542178 141007194 /nfs/dbraw/zinc/00/71/94/141007194.db2.gz VIHIBBUZHJPDHK-CTNGQTDRSA-N 2 2 329.532 3.363 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246804539 141035981 /nfs/dbraw/zinc/03/59/81/141035981.db2.gz QVWRQUBLTKQGPX-MAUKXSAKSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000246804539 141035982 /nfs/dbraw/zinc/03/59/82/141035982.db2.gz QVWRQUBLTKQGPX-MAUKXSAKSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000246804539 141035983 /nfs/dbraw/zinc/03/59/83/141035983.db2.gz QVWRQUBLTKQGPX-MAUKXSAKSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000246804539 141035984 /nfs/dbraw/zinc/03/59/84/141035984.db2.gz QVWRQUBLTKQGPX-MAUKXSAKSA-N 2 2 340.471 3.427 20 0 EGADLP CCc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246992962 141047381 /nfs/dbraw/zinc/04/73/81/141047381.db2.gz WLVQKSYOAMCCOP-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246992962 141047385 /nfs/dbraw/zinc/04/73/85/141047385.db2.gz WLVQKSYOAMCCOP-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246992962 141047386 /nfs/dbraw/zinc/04/73/86/141047386.db2.gz WLVQKSYOAMCCOP-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246992962 141047388 /nfs/dbraw/zinc/04/73/88/141047388.db2.gz WLVQKSYOAMCCOP-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP Cc1ccc2c(C[NH+]3CCN(c4c[nH+]ccc4C)CC3)ccc(O)c2n1 ZINC000338381167 141113315 /nfs/dbraw/zinc/11/33/15/141113315.db2.gz VEJLPEDJWWWMEW-UHFFFAOYSA-N 2 2 348.450 3.274 20 0 EGADLP Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000341255101 141144722 /nfs/dbraw/zinc/14/47/22/141144722.db2.gz GWADXLTUNLAAEE-CQSZACIVSA-N 2 2 327.428 3.110 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccn2C)CCOCC1)c1ccccc1 ZINC000344514935 141168130 /nfs/dbraw/zinc/16/81/30/141168130.db2.gz GFMFOULPBBXVPL-QGZVFWFLSA-N 2 2 327.472 3.015 20 0 EGADLP Cc1cccn2c(C[NH2+]CCc3nc(-c4ccncc4)cs3)c[nH+]c12 ZINC000344529408 141169366 /nfs/dbraw/zinc/16/93/66/141169366.db2.gz IHIDUQKSIBFUNQ-UHFFFAOYSA-N 2 2 349.463 3.494 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](c2ccco2)c2ccc(OC)cc2)CC1 ZINC000346467858 141200458 /nfs/dbraw/zinc/20/04/58/141200458.db2.gz UUPDZIWDPMJLFF-FQEVSTJZSA-N 2 2 344.455 3.078 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353353294 141293237 /nfs/dbraw/zinc/29/32/37/141293237.db2.gz PSXMYFWBJLKSTK-GJZGRUSLSA-N 2 2 343.475 3.212 20 0 EGADLP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000353456364 141300813 /nfs/dbraw/zinc/30/08/13/141300813.db2.gz VRVNOYOOHAKQFO-QGZVFWFLSA-N 2 2 325.456 3.073 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCCC1 ZINC000354581817 141309930 /nfs/dbraw/zinc/30/99/30/141309930.db2.gz UJXMFKZYSQZVFN-SFHVURJKSA-N 2 2 344.434 3.460 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186456814 285678076 /nfs/dbraw/zinc/67/80/76/285678076.db2.gz KAJIJDZHRZPZIO-JYPHPWERSA-N 2 2 332.488 3.389 20 0 EGADLP Cc1ccc(NC(=O)N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000359612687 141385527 /nfs/dbraw/zinc/38/55/27/141385527.db2.gz SBTKQRNUWIVIHD-LJQANCHMSA-N 2 2 344.503 3.019 20 0 EGADLP Cc1ccc(NC(=O)N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000359612687 141385529 /nfs/dbraw/zinc/38/55/29/141385529.db2.gz SBTKQRNUWIVIHD-LJQANCHMSA-N 2 2 344.503 3.019 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636392 141393899 /nfs/dbraw/zinc/39/38/99/141393899.db2.gz QFXZZTTZHVEXPZ-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cn1 ZINC000359636392 141393902 /nfs/dbraw/zinc/39/39/02/141393902.db2.gz QFXZZTTZHVEXPZ-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000246333803 142609763 /nfs/dbraw/zinc/60/97/63/142609763.db2.gz HCNHDCJPKSKIBO-FXAWDEMLSA-N 2 2 337.467 3.250 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000246333803 142609765 /nfs/dbraw/zinc/60/97/65/142609765.db2.gz HCNHDCJPKSKIBO-FXAWDEMLSA-N 2 2 337.467 3.250 20 0 EGADLP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000173791835 144048840 /nfs/dbraw/zinc/04/88/40/144048840.db2.gz RTJBJOJBQSFAQB-CQSZACIVSA-N 2 2 330.394 3.401 20 0 EGADLP C[N@H+](Cc1ccccc1OCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000173791835 144048842 /nfs/dbraw/zinc/04/88/42/144048842.db2.gz RTJBJOJBQSFAQB-CQSZACIVSA-N 2 2 330.394 3.401 20 0 EGADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000173791835 144048843 /nfs/dbraw/zinc/04/88/43/144048843.db2.gz RTJBJOJBQSFAQB-CQSZACIVSA-N 2 2 330.394 3.401 20 0 EGADLP C[NH+](Cc1ccccc1OCC(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173791835 144048844 /nfs/dbraw/zinc/04/88/44/144048844.db2.gz RTJBJOJBQSFAQB-CQSZACIVSA-N 2 2 330.394 3.401 20 0 EGADLP [NH3+][C@@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccccc1 ZINC000178657445 144074450 /nfs/dbraw/zinc/07/44/50/144074450.db2.gz YJPBKOFKTMQYCG-LJQANCHMSA-N 2 2 334.423 3.401 20 0 EGADLP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1F ZINC000192673390 144177496 /nfs/dbraw/zinc/17/74/96/144177496.db2.gz JAMSRZRSDPPGCS-UHFFFAOYSA-N 2 2 329.350 3.449 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@@H+]1C ZINC000344631865 144202345 /nfs/dbraw/zinc/20/23/45/144202345.db2.gz PCZJNXGHRKPEBH-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccncc2)CC[N@H+]1C ZINC000344631865 144202346 /nfs/dbraw/zinc/20/23/46/144202346.db2.gz PCZJNXGHRKPEBH-LPHOPBHVSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344739462 144217809 /nfs/dbraw/zinc/21/78/09/144217809.db2.gz ULJKXAHGOIFNEL-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344739462 144217810 /nfs/dbraw/zinc/21/78/10/144217810.db2.gz ULJKXAHGOIFNEL-FUHWJXTLSA-N 2 2 332.488 3.218 20 0 EGADLP CSCc1cnc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000351481137 144267108 /nfs/dbraw/zinc/26/71/08/144267108.db2.gz CCDPSQFQFGQZOX-UHFFFAOYSA-N 2 2 336.530 3.194 20 0 EGADLP c1cn(Cc2ccc(NCc3cc(-c4ccccc4)n[nH]3)[nH+]c2)c[nH+]1 ZINC000351571087 144282099 /nfs/dbraw/zinc/28/20/99/144282099.db2.gz SHCPIWBTRKOKCE-UHFFFAOYSA-N 2 2 330.395 3.329 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000351715306 144295400 /nfs/dbraw/zinc/29/54/00/144295400.db2.gz IQVJSBYOKNZDHB-UHFFFAOYSA-N 2 2 325.243 3.049 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351719698 144296594 /nfs/dbraw/zinc/29/65/94/144296594.db2.gz SAGPZSDWYAXIBL-ZFWWWQNUSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351719698 144296596 /nfs/dbraw/zinc/29/65/96/144296596.db2.gz SAGPZSDWYAXIBL-ZFWWWQNUSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351719698 144296598 /nfs/dbraw/zinc/29/65/98/144296598.db2.gz SAGPZSDWYAXIBL-ZFWWWQNUSA-N 2 2 325.522 3.023 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351719698 144296600 /nfs/dbraw/zinc/29/66/00/144296600.db2.gz SAGPZSDWYAXIBL-ZFWWWQNUSA-N 2 2 325.522 3.023 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853494 144316552 /nfs/dbraw/zinc/31/65/52/144316552.db2.gz OGZCQLJYCZTOPW-DZGCQCFKSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)cc1 ZINC000351853494 144316554 /nfs/dbraw/zinc/31/65/54/144316554.db2.gz OGZCQLJYCZTOPW-DZGCQCFKSA-N 2 2 331.485 3.378 20 0 EGADLP CSC[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878840 144319949 /nfs/dbraw/zinc/31/99/49/144319949.db2.gz SRGDQEPTRPXGRV-LJQANCHMSA-N 2 2 333.545 3.026 20 0 EGADLP CSC[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351878840 144319951 /nfs/dbraw/zinc/31/99/51/144319951.db2.gz SRGDQEPTRPXGRV-LJQANCHMSA-N 2 2 333.545 3.026 20 0 EGADLP C[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000361664488 144346657 /nfs/dbraw/zinc/34/66/57/144346657.db2.gz MRGBMUQIYZSUEJ-SFHVURJKSA-N 2 2 339.483 3.241 20 0 EGADLP Cc1c[nH+]c(CNC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)n1C ZINC000341074842 155142789 /nfs/dbraw/zinc/14/27/89/155142789.db2.gz GINASUIAOJCJER-INIZCTEOSA-N 2 2 332.517 3.353 20 0 EGADLP c1cc2cccc(CNc3[nH+]cnc4c3cnn4-c3cc[nH+]cc3)c2[nH]1 ZINC000341491310 155321483 /nfs/dbraw/zinc/32/14/83/155321483.db2.gz SUXOKEZGZDVFOJ-UHFFFAOYSA-N 2 2 341.378 3.304 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000116393538 152057087 /nfs/dbraw/zinc/05/70/87/152057087.db2.gz UJEPQHHWIRNMJQ-UZLBHIALSA-N 2 2 337.467 3.028 20 0 EGADLP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341588171 155370938 /nfs/dbraw/zinc/37/09/38/155370938.db2.gz IWUNMGWGEFJOQK-FXAWDEMLSA-N 2 2 345.531 3.477 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000192116222 153243050 /nfs/dbraw/zinc/24/30/50/153243050.db2.gz KJNHZSHZESNGBS-NRFANRHFSA-N 2 2 333.435 3.272 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000192116222 153243052 /nfs/dbraw/zinc/24/30/52/153243052.db2.gz KJNHZSHZESNGBS-NRFANRHFSA-N 2 2 333.435 3.272 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000192116229 153243226 /nfs/dbraw/zinc/24/32/26/153243226.db2.gz KJNHZSHZESNGBS-OAQYLSRUSA-N 2 2 333.435 3.272 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000192116229 153243228 /nfs/dbraw/zinc/24/32/28/153243228.db2.gz KJNHZSHZESNGBS-OAQYLSRUSA-N 2 2 333.435 3.272 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300706187 154022641 /nfs/dbraw/zinc/02/26/41/154022641.db2.gz AVTGATRPRLDBCG-MNOVXSKESA-N 2 2 345.231 3.444 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300706187 154022647 /nfs/dbraw/zinc/02/26/47/154022647.db2.gz AVTGATRPRLDBCG-MNOVXSKESA-N 2 2 345.231 3.444 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000305720525 154111663 /nfs/dbraw/zinc/11/16/63/154111663.db2.gz IFWIOWWRCWFSMO-JFRXWTBNSA-N 2 2 328.456 3.344 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000305720525 154111666 /nfs/dbraw/zinc/11/16/66/154111666.db2.gz IFWIOWWRCWFSMO-JFRXWTBNSA-N 2 2 328.456 3.344 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cn1 ZINC000305829817 154133331 /nfs/dbraw/zinc/13/33/31/154133331.db2.gz NTRSOBSHGCXWGH-YTQUADARSA-N 2 2 335.467 3.029 20 0 EGADLP COc1ccncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311095623 154147071 /nfs/dbraw/zinc/14/70/71/154147071.db2.gz ZTHHXUVAJYAZOL-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311095623 154147076 /nfs/dbraw/zinc/14/70/76/154147076.db2.gz ZTHHXUVAJYAZOL-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311095623 154147080 /nfs/dbraw/zinc/14/70/80/154147080.db2.gz ZTHHXUVAJYAZOL-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311095623 154147085 /nfs/dbraw/zinc/14/70/85/154147085.db2.gz ZTHHXUVAJYAZOL-QUCCMNQESA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000337399842 154333675 /nfs/dbraw/zinc/33/36/75/154333675.db2.gz QPDHTSLDLGPZGA-WBVHZDCISA-N 2 2 334.504 3.265 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000337399842 154333681 /nfs/dbraw/zinc/33/36/81/154333681.db2.gz QPDHTSLDLGPZGA-WBVHZDCISA-N 2 2 334.504 3.265 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000337458943 154362480 /nfs/dbraw/zinc/36/24/80/154362480.db2.gz QCMGSIWOJFVDJU-PKOBYXMFSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000337458943 154362482 /nfs/dbraw/zinc/36/24/82/154362482.db2.gz QCMGSIWOJFVDJU-PKOBYXMFSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000337458943 154362483 /nfs/dbraw/zinc/36/24/83/154362483.db2.gz QCMGSIWOJFVDJU-PKOBYXMFSA-N 2 2 331.504 3.012 20 0 EGADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000337458943 154362484 /nfs/dbraw/zinc/36/24/84/154362484.db2.gz QCMGSIWOJFVDJU-PKOBYXMFSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1ccc2nc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)cn2c1 ZINC000341041065 155127889 /nfs/dbraw/zinc/12/78/89/155127889.db2.gz FSSMWZBONAGAOL-UHFFFAOYSA-N 2 2 335.386 3.257 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@@H+]1Cc1ccccc1 ZINC000346833139 156156576 /nfs/dbraw/zinc/15/65/76/156156576.db2.gz SDKCZRQMRQHBNE-APWZRJJASA-N 2 2 334.467 3.358 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ncccc23)C[N@H+]1Cc1ccccc1 ZINC000346833139 156156582 /nfs/dbraw/zinc/15/65/82/156156582.db2.gz SDKCZRQMRQHBNE-APWZRJJASA-N 2 2 334.467 3.358 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000359524454 292338047 /nfs/dbraw/zinc/33/80/47/292338047.db2.gz KUKSPJMQVQWDOM-IEBWSBKVSA-N 2 2 332.488 3.155 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000359524454 292338048 /nfs/dbraw/zinc/33/80/48/292338048.db2.gz KUKSPJMQVQWDOM-IEBWSBKVSA-N 2 2 332.488 3.155 20 0 EGADLP Cc1nn2c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c(C(C)C)nc2s1 ZINC000348871092 156268886 /nfs/dbraw/zinc/26/88/86/156268886.db2.gz WDCNQAQNZIJINY-YIONKMFJSA-N 2 2 347.532 3.280 20 0 EGADLP Cc1nn2c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)c(C(C)C)nc2s1 ZINC000348871092 156268888 /nfs/dbraw/zinc/26/88/88/156268888.db2.gz WDCNQAQNZIJINY-YIONKMFJSA-N 2 2 347.532 3.280 20 0 EGADLP Cc1nn2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C(C)C)nc2s1 ZINC000348871092 156268891 /nfs/dbraw/zinc/26/88/91/156268891.db2.gz WDCNQAQNZIJINY-YIONKMFJSA-N 2 2 347.532 3.280 20 0 EGADLP Cc1nn2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C(C)C)nc2s1 ZINC000348871092 156268895 /nfs/dbraw/zinc/26/88/95/156268895.db2.gz WDCNQAQNZIJINY-YIONKMFJSA-N 2 2 347.532 3.280 20 0 EGADLP COc1cc(F)c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1OC ZINC000358218105 156754685 /nfs/dbraw/zinc/75/46/85/156754685.db2.gz JFPLWQYZNWTPJB-CYBMUJFWSA-N 2 2 343.402 3.384 20 0 EGADLP Cc1[nH+]cc(CNc2[nH+]c3ccc(F)cc3n2C)n1-c1ccccc1 ZINC000362080834 157011582 /nfs/dbraw/zinc/01/15/82/157011582.db2.gz MTUHQTGNDUFCOC-UHFFFAOYSA-N 2 2 335.386 3.241 20 0 EGADLP Clc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc2c1OCCO2 ZINC000111243119 162149894 /nfs/dbraw/zinc/14/98/94/162149894.db2.gz MVVNQEQAYJEBIG-UHFFFAOYSA-N 2 2 333.819 3.145 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc[nH+]1 ZINC000112298505 162170499 /nfs/dbraw/zinc/17/04/99/162170499.db2.gz XIHOFTSOHFYFEI-MRXNPFEDSA-N 2 2 327.403 3.380 20 0 EGADLP CC[NH+]1CCC(N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112634058 162183298 /nfs/dbraw/zinc/18/32/98/162183298.db2.gz BFHLPMPCTPDHEY-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248954726 163048231 /nfs/dbraw/zinc/04/82/31/163048231.db2.gz FSUCSSSLHQWMQR-HLLBOEOZSA-N 2 2 343.479 3.019 20 0 EGADLP C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248954726 163048234 /nfs/dbraw/zinc/04/82/34/163048234.db2.gz FSUCSSSLHQWMQR-HLLBOEOZSA-N 2 2 343.479 3.019 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000305161552 163075635 /nfs/dbraw/zinc/07/56/35/163075635.db2.gz XDQMMYJLAYLKPC-IUCAKERBSA-N 2 2 325.667 3.220 20 0 EGADLP COC(=O)[C@H](c1ccsc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000337214970 163165504 /nfs/dbraw/zinc/16/55/04/163165504.db2.gz XYDSJAOKWZACLW-KRWDZBQOSA-N 2 2 347.484 3.351 20 0 EGADLP Cc1[nH+]ccn1CCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000338314829 163209875 /nfs/dbraw/zinc/20/98/75/163209875.db2.gz CHWUQJBZRGQCIG-UHFFFAOYSA-N 2 2 336.395 3.199 20 0 EGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000338927695 163390563 /nfs/dbraw/zinc/39/05/63/163390563.db2.gz WEROZDMSTMRVQY-INIZCTEOSA-N 2 2 331.504 3.199 20 0 EGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000338927695 163390567 /nfs/dbraw/zinc/39/05/67/163390567.db2.gz WEROZDMSTMRVQY-INIZCTEOSA-N 2 2 331.504 3.199 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1Cl ZINC000268812422 287023987 /nfs/dbraw/zinc/02/39/87/287023987.db2.gz FFHAHJSXIZKXCK-GFCCVEGCSA-N 2 2 331.287 3.491 20 0 EGADLP CC(C)[C@H]1C[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CCCO1 ZINC000354790252 166031714 /nfs/dbraw/zinc/03/17/14/166031714.db2.gz JVWNLYICRBSIDA-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CC(C)[C@H]1C[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CCCO1 ZINC000354790252 166031716 /nfs/dbraw/zinc/03/17/16/166031716.db2.gz JVWNLYICRBSIDA-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CC(C)[C@H]1C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCO1 ZINC000354790252 166031718 /nfs/dbraw/zinc/03/17/18/166031718.db2.gz JVWNLYICRBSIDA-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CC(C)[C@H]1C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCO1 ZINC000354790252 166031719 /nfs/dbraw/zinc/03/17/19/166031719.db2.gz JVWNLYICRBSIDA-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816262 164042497 /nfs/dbraw/zinc/04/24/97/164042497.db2.gz MQQKUYXDAPELCR-ZFWWWQNUSA-N 2 2 338.879 3.416 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816262 164042499 /nfs/dbraw/zinc/04/24/99/164042499.db2.gz MQQKUYXDAPELCR-ZFWWWQNUSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816262 164042501 /nfs/dbraw/zinc/04/25/01/164042501.db2.gz MQQKUYXDAPELCR-ZFWWWQNUSA-N 2 2 338.879 3.416 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2Cl)OCCO3)C[C@@H]1C ZINC000343816262 164042503 /nfs/dbraw/zinc/04/25/03/164042503.db2.gz MQQKUYXDAPELCR-ZFWWWQNUSA-N 2 2 338.879 3.416 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000343940351 164070113 /nfs/dbraw/zinc/07/01/13/164070113.db2.gz SAQAPEJCEMXGQH-IRXDYDNUSA-N 2 2 327.472 3.131 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000343940351 164070114 /nfs/dbraw/zinc/07/01/14/164070114.db2.gz SAQAPEJCEMXGQH-IRXDYDNUSA-N 2 2 327.472 3.131 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343983113 164076999 /nfs/dbraw/zinc/07/69/99/164076999.db2.gz LJDSESRUAHKLCL-IPJUCJBFSA-N 2 2 332.488 3.218 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343983113 164077001 /nfs/dbraw/zinc/07/70/01/164077001.db2.gz LJDSESRUAHKLCL-IPJUCJBFSA-N 2 2 332.488 3.218 20 0 EGADLP CO[C@@H](C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)C(C)C ZINC000344217549 164129101 /nfs/dbraw/zinc/12/91/01/164129101.db2.gz WFMPHAVTTBVKLY-AWEZNQCLSA-N 2 2 340.265 3.166 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)CC(C)C ZINC000344399239 164170146 /nfs/dbraw/zinc/17/01/46/164170146.db2.gz DWTORUGOPJSEAS-IBGZPJMESA-N 2 2 342.487 3.359 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344499621 164184490 /nfs/dbraw/zinc/18/44/90/164184490.db2.gz WKLBMZINYVVUHY-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000344499621 164184491 /nfs/dbraw/zinc/18/44/91/164184491.db2.gz WKLBMZINYVVUHY-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178679 164358162 /nfs/dbraw/zinc/35/81/62/164358162.db2.gz SEBIHUFMNVZVLW-HOTGVXAUSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178679 164358163 /nfs/dbraw/zinc/35/81/63/164358163.db2.gz SEBIHUFMNVZVLW-HOTGVXAUSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178679 164358164 /nfs/dbraw/zinc/35/81/64/164358164.db2.gz SEBIHUFMNVZVLW-HOTGVXAUSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]([C@H]4CCOC4)C3)sc2C1 ZINC000346178679 164358165 /nfs/dbraw/zinc/35/81/65/164358165.db2.gz SEBIHUFMNVZVLW-HOTGVXAUSA-N 2 2 349.544 3.158 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000346319498 164367883 /nfs/dbraw/zinc/36/78/83/164367883.db2.gz YHWLDIYUMDWZRQ-IBGZPJMESA-N 2 2 334.423 3.161 20 0 EGADLP CCn1cc([C@H]2OCCC[C@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cn1 ZINC000354850631 166047935 /nfs/dbraw/zinc/04/79/35/166047935.db2.gz MLTVXLITPKGKDA-RTBURBONSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000346488616 164385609 /nfs/dbraw/zinc/38/56/09/164385609.db2.gz NVLWXBSDPMOUGU-MRXNPFEDSA-N 2 2 345.830 3.135 20 0 EGADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)c[nH+]1 ZINC000354928614 166065686 /nfs/dbraw/zinc/06/56/86/166065686.db2.gz UKXTWBUZLJTDAB-IBGZPJMESA-N 2 2 329.488 3.236 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000350164218 165014887 /nfs/dbraw/zinc/01/48/87/165014887.db2.gz XEEDYWMOLZYGEQ-HNNXBMFYSA-N 2 2 343.475 3.422 20 0 EGADLP CCCc1nc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cs1 ZINC000350257135 165022318 /nfs/dbraw/zinc/02/23/18/165022318.db2.gz SPMCLGKTDZQDEW-MRXNPFEDSA-N 2 2 325.522 3.028 20 0 EGADLP CCCc1nc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cs1 ZINC000350257135 165022322 /nfs/dbraw/zinc/02/23/22/165022322.db2.gz SPMCLGKTDZQDEW-MRXNPFEDSA-N 2 2 325.522 3.028 20 0 EGADLP C[C@H](c1ccco1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351897510 165140988 /nfs/dbraw/zinc/14/09/88/165140988.db2.gz GGJOOXDRMOYZKC-GOSISDBHSA-N 2 2 327.472 3.485 20 0 EGADLP C[C@H](c1ccco1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351897510 165140991 /nfs/dbraw/zinc/14/09/91/165140991.db2.gz GGJOOXDRMOYZKC-GOSISDBHSA-N 2 2 327.472 3.485 20 0 EGADLP Cc1cc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900638 165141922 /nfs/dbraw/zinc/14/19/22/165141922.db2.gz VMNBKKIHKMNEJH-QFBILLFUSA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900638 165141923 /nfs/dbraw/zinc/14/19/23/165141923.db2.gz VMNBKKIHKMNEJH-QFBILLFUSA-N 2 2 336.483 3.407 20 0 EGADLP COc1ccccc1[C@H](CNC(=O)Nc1c(C)cc[nH+]c1C)[NH+](C)C ZINC000351942117 165159893 /nfs/dbraw/zinc/15/98/93/165159893.db2.gz AWTACHSNXKTXBX-INIZCTEOSA-N 2 2 342.443 3.131 20 0 EGADLP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000352243151 165303282 /nfs/dbraw/zinc/30/32/82/165303282.db2.gz XSUCATIGDDADFC-CQSZACIVSA-N 2 2 325.387 3.438 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352242850 165303680 /nfs/dbraw/zinc/30/36/80/165303680.db2.gz SJVIHNIKZZMLGA-LBPRGKRZSA-N 2 2 332.473 3.014 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c[nH+]1 ZINC000353919713 165921835 /nfs/dbraw/zinc/92/18/35/165921835.db2.gz ZHYHWHQUMBBMEJ-UHFFFAOYSA-N 2 2 339.361 3.449 20 0 EGADLP OC[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355356639 166172694 /nfs/dbraw/zinc/17/26/94/166172694.db2.gz YHQMZKLRTLQKEN-JOCHJYFZSA-N 2 2 347.462 3.442 20 0 EGADLP OC[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355356639 166172696 /nfs/dbraw/zinc/17/26/96/166172696.db2.gz YHQMZKLRTLQKEN-JOCHJYFZSA-N 2 2 347.462 3.442 20 0 EGADLP COC1CCC(C)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000359002814 167034645 /nfs/dbraw/zinc/03/46/45/167034645.db2.gz PQAPUSGBCCSTJT-RCKXYERXSA-N 2 2 345.531 3.477 20 0 EGADLP COC1CCC(C)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000359002814 167034646 /nfs/dbraw/zinc/03/46/46/167034646.db2.gz PQAPUSGBCCSTJT-RCKXYERXSA-N 2 2 345.531 3.477 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000359051524 167050996 /nfs/dbraw/zinc/05/09/96/167050996.db2.gz ZUGYCEKOXJRZAE-MJGOQNOKSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000359051524 167050998 /nfs/dbraw/zinc/05/09/98/167050998.db2.gz ZUGYCEKOXJRZAE-MJGOQNOKSA-N 2 2 334.504 3.191 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000359403763 167146833 /nfs/dbraw/zinc/14/68/33/167146833.db2.gz HQTWJYWXKIVPIS-CJNGLKHVSA-N 2 2 328.859 3.488 20 0 EGADLP Cc1cc(Br)cn2cc(CCNc3cc[nH+]cc3C)[nH+]c12 ZINC000359573783 167197435 /nfs/dbraw/zinc/19/74/35/167197435.db2.gz GZYAQNLWVIMONJ-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Clc1sc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000359663773 167205439 /nfs/dbraw/zinc/20/54/39/167205439.db2.gz NOAOEOORHMTDMW-MRVPVSSYSA-N 2 2 346.681 3.465 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360331037 167304567 /nfs/dbraw/zinc/30/45/67/167304567.db2.gz YEJVHJDGJOORSP-HBFSDRIKSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360331037 167304568 /nfs/dbraw/zinc/30/45/68/167304568.db2.gz YEJVHJDGJOORSP-HBFSDRIKSA-N 2 2 345.531 3.037 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360543655 167353696 /nfs/dbraw/zinc/35/36/96/167353696.db2.gz IHMVASOQFYKDLN-BDJLRTHQSA-N 2 2 342.270 3.006 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360543655 167353700 /nfs/dbraw/zinc/35/37/00/167353700.db2.gz IHMVASOQFYKDLN-BDJLRTHQSA-N 2 2 342.270 3.006 20 0 EGADLP COc1cccc2c(N3CC[NH+](Cc4ccco4)CC3)cc(C)[nH+]c12 ZINC000360664749 167382726 /nfs/dbraw/zinc/38/27/26/167382726.db2.gz RPPMUVGTGOMLGI-UHFFFAOYSA-N 2 2 337.423 3.467 20 0 EGADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441264 168122089 /nfs/dbraw/zinc/12/20/89/168122089.db2.gz FABIFAMQPHICJM-XJKSGUPXSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441264 168122090 /nfs/dbraw/zinc/12/20/90/168122090.db2.gz FABIFAMQPHICJM-XJKSGUPXSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000367359654 168213553 /nfs/dbraw/zinc/21/35/53/168213553.db2.gz AHMMPHKEBALUOG-BEFAXECRSA-N 2 2 345.512 3.198 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000367359654 168213555 /nfs/dbraw/zinc/21/35/55/168213555.db2.gz AHMMPHKEBALUOG-BEFAXECRSA-N 2 2 345.512 3.198 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000367359656 168213874 /nfs/dbraw/zinc/21/38/74/168213874.db2.gz AHMMPHKEBALUOG-HNAYVOBHSA-N 2 2 345.512 3.198 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000367359656 168213875 /nfs/dbraw/zinc/21/38/75/168213875.db2.gz AHMMPHKEBALUOG-HNAYVOBHSA-N 2 2 345.512 3.198 20 0 EGADLP c1coc([C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459783 168228673 /nfs/dbraw/zinc/22/86/73/168228673.db2.gz WCWCZROIBKVIHX-PMACEKPBSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459783 168228674 /nfs/dbraw/zinc/22/86/74/168228674.db2.gz WCWCZROIBKVIHX-PMACEKPBSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459783 168228675 /nfs/dbraw/zinc/22/86/75/168228675.db2.gz WCWCZROIBKVIHX-PMACEKPBSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459783 168228678 /nfs/dbraw/zinc/22/86/78/168228678.db2.gz WCWCZROIBKVIHX-PMACEKPBSA-N 2 2 340.467 3.360 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(-c2ccnn2C)c1 ZINC000367708359 168261170 /nfs/dbraw/zinc/26/11/70/168261170.db2.gz URQVZQOATZGNHH-KRWDZBQOSA-N 2 2 335.455 3.119 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(-c2ccnn2C)c1 ZINC000367708359 168261172 /nfs/dbraw/zinc/26/11/72/168261172.db2.gz URQVZQOATZGNHH-KRWDZBQOSA-N 2 2 335.455 3.119 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)cc3c1OCC3)CCC2 ZINC000367797358 168271833 /nfs/dbraw/zinc/27/18/33/168271833.db2.gz YQEFZGIRIVQASW-AWEZNQCLSA-N 2 2 331.847 3.447 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000367985228 168292221 /nfs/dbraw/zinc/29/22/21/168292221.db2.gz UXUDVLWQDRJVDX-ZDUSSCGKSA-N 2 2 333.819 3.229 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000367985228 168292224 /nfs/dbraw/zinc/29/22/24/168292224.db2.gz UXUDVLWQDRJVDX-ZDUSSCGKSA-N 2 2 333.819 3.229 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571196 225045736 /nfs/dbraw/zinc/04/57/36/225045736.db2.gz KQFOZYSJXQPYDM-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571196 225045741 /nfs/dbraw/zinc/04/57/41/225045741.db2.gz KQFOZYSJXQPYDM-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158571196 225045745 /nfs/dbraw/zinc/04/57/45/225045745.db2.gz KQFOZYSJXQPYDM-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158571196 225045751 /nfs/dbraw/zinc/04/57/51/225045751.db2.gz KQFOZYSJXQPYDM-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000164489504 226077425 /nfs/dbraw/zinc/07/74/25/226077425.db2.gz NINNRCMUCQLEBB-PXNSSMCTSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000164489504 226077431 /nfs/dbraw/zinc/07/74/31/226077431.db2.gz NINNRCMUCQLEBB-PXNSSMCTSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489504 226077436 /nfs/dbraw/zinc/07/74/36/226077436.db2.gz NINNRCMUCQLEBB-PXNSSMCTSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489504 226077439 /nfs/dbraw/zinc/07/74/39/226077439.db2.gz NINNRCMUCQLEBB-PXNSSMCTSA-N 3 2 341.499 3.484 20 0 EGADLP c1coc([C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N2CCCC2)c1 ZINC000123919906 222352050 /nfs/dbraw/zinc/35/20/50/222352050.db2.gz LBTKFYZIYXDTCV-GOSISDBHSA-N 2 2 340.471 3.070 20 0 EGADLP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1cccs1 ZINC000171690364 227222668 /nfs/dbraw/zinc/22/26/68/227222668.db2.gz DXLRJTOPXQPLDN-UONOGXRCSA-N 2 2 347.488 3.011 20 0 EGADLP Cc1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000176711757 265198798 /nfs/dbraw/zinc/19/87/98/265198798.db2.gz OHCOVVRITGIFMO-UHFFFAOYSA-N 2 2 326.444 3.342 20 0 EGADLP Cc1ccc(NC(=O)NCCC[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC000176711757 265198802 /nfs/dbraw/zinc/19/88/02/265198802.db2.gz OHCOVVRITGIFMO-UHFFFAOYSA-N 2 2 326.444 3.342 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4nc(C)ccc4c3)CC2)c1 ZINC000187175209 265579711 /nfs/dbraw/zinc/57/97/11/265579711.db2.gz LZJOKOUHZFOLFW-UHFFFAOYSA-N 2 2 348.450 3.269 20 0 EGADLP c1ccc([C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)cc1 ZINC000193937894 266076378 /nfs/dbraw/zinc/07/63/78/266076378.db2.gz JZMFCMVGPAJBOD-FUMNGEBKSA-N 2 2 326.484 3.371 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)c[nH+]1 ZINC000193966572 266079410 /nfs/dbraw/zinc/07/94/10/266079410.db2.gz GWFBSCIHYWUWDR-HSALFYBXSA-N 2 2 337.467 3.369 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194352270 266109527 /nfs/dbraw/zinc/10/95/27/266109527.db2.gz CZSSEBXMDZXNLI-UHFFFAOYSA-N 2 2 342.487 3.056 20 0 EGADLP CCCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCC ZINC000194543687 266126540 /nfs/dbraw/zinc/12/65/40/266126540.db2.gz RFOKQSMCQPWDAS-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OCC ZINC000194543687 266126545 /nfs/dbraw/zinc/12/65/45/266126545.db2.gz RFOKQSMCQPWDAS-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OCC ZINC000194543687 266126547 /nfs/dbraw/zinc/12/65/47/266126547.db2.gz RFOKQSMCQPWDAS-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OCC ZINC000194543687 266126551 /nfs/dbraw/zinc/12/65/51/266126551.db2.gz RFOKQSMCQPWDAS-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP C[C@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)Cn1cc[nH+]c1 ZINC000195250985 266169648 /nfs/dbraw/zinc/16/96/48/266169648.db2.gz IWGYAVYDMBQJNX-CQSZACIVSA-N 2 2 329.835 3.148 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000236796896 266214858 /nfs/dbraw/zinc/21/48/58/266214858.db2.gz GKZOTFZDSGSWBI-IBGZPJMESA-N 2 2 328.456 3.393 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3)o2)C1 ZINC000236796896 266214863 /nfs/dbraw/zinc/21/48/63/266214863.db2.gz GKZOTFZDSGSWBI-IBGZPJMESA-N 2 2 328.456 3.393 20 0 EGADLP C[NH2+]C[C@@H](C)CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237341649 266231905 /nfs/dbraw/zinc/23/19/05/266231905.db2.gz RTJDQWPVQRWGSM-GFCCVEGCSA-N 2 2 333.819 3.113 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000273243361 267003850 /nfs/dbraw/zinc/00/38/50/267003850.db2.gz QPPNKJDBNHRNBL-AWEZNQCLSA-N 2 2 330.476 3.018 20 0 EGADLP COc1ccsc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000274414257 267232972 /nfs/dbraw/zinc/23/29/72/267232972.db2.gz FJDWUVOSXZKALL-UKRRQHHQSA-N 2 2 346.500 3.465 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cn1 ZINC000274905828 267304064 /nfs/dbraw/zinc/30/40/64/267304064.db2.gz MCXLQULKMVNFJX-HNNXBMFYSA-N 2 2 345.874 3.418 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000275279582 267340501 /nfs/dbraw/zinc/34/05/01/267340501.db2.gz DMPNIKAIXOTKDK-YJBOKZPZSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC)[C@@H](C)C1 ZINC000275279582 267340502 /nfs/dbraw/zinc/34/05/02/267340502.db2.gz DMPNIKAIXOTKDK-YJBOKZPZSA-N 2 2 338.467 3.061 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547223 267378104 /nfs/dbraw/zinc/37/81/04/267378104.db2.gz GAXVEKLWQGSQJU-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547223 267378108 /nfs/dbraw/zinc/37/81/08/267378108.db2.gz GAXVEKLWQGSQJU-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)ccc1F ZINC000275547223 267378110 /nfs/dbraw/zinc/37/81/10/267378110.db2.gz GAXVEKLWQGSQJU-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)ccc1F ZINC000275547223 267378111 /nfs/dbraw/zinc/37/81/11/267378111.db2.gz GAXVEKLWQGSQJU-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000275631107 267395180 /nfs/dbraw/zinc/39/51/80/267395180.db2.gz KQKSRFMMGCRDTE-QGZVFWFLSA-N 2 2 341.459 3.273 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564958 268040269 /nfs/dbraw/zinc/04/02/69/268040269.db2.gz VXGYJXYDWGQOQP-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564958 268040273 /nfs/dbraw/zinc/04/02/73/268040273.db2.gz VXGYJXYDWGQOQP-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564958 268040278 /nfs/dbraw/zinc/04/02/78/268040278.db2.gz VXGYJXYDWGQOQP-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564958 268040283 /nfs/dbraw/zinc/04/02/83/268040283.db2.gz VXGYJXYDWGQOQP-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164756735 274356167 /nfs/dbraw/zinc/35/61/67/274356167.db2.gz XWGIYZPRVBICGF-QRWLVFNGSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000164756735 274356169 /nfs/dbraw/zinc/35/61/69/274356169.db2.gz XWGIYZPRVBICGF-QRWLVFNGSA-N 2 2 345.437 3.403 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000266113914 275234961 /nfs/dbraw/zinc/23/49/61/275234961.db2.gz NJIQMIQPQZRFNK-CABCVRRESA-N 2 2 343.471 3.072 20 0 EGADLP CCOc1cccc([C@H](C)[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)c1 ZINC000271771160 275238233 /nfs/dbraw/zinc/23/82/33/275238233.db2.gz FISLJMGNWNVCRR-INIZCTEOSA-N 2 2 348.487 3.154 20 0 EGADLP COc1ccnc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278777128 275273852 /nfs/dbraw/zinc/27/38/52/275273852.db2.gz CWDNEGHUUHEQRK-UHFFFAOYSA-N 2 2 326.444 3.003 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000278799750 275275837 /nfs/dbraw/zinc/27/58/37/275275837.db2.gz XLOJFCXFKGXAHI-UHFFFAOYSA-N 2 2 339.439 3.392 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cnn1C(C)C ZINC000279049008 275299212 /nfs/dbraw/zinc/29/92/12/275299212.db2.gz XWBFIDGVXXHIIS-DHSIGJKJSA-N 2 2 331.464 3.077 20 0 EGADLP c1ccc2c(c1)cncc2N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000279202554 275312097 /nfs/dbraw/zinc/31/20/97/275312097.db2.gz GENQWMUUFAXJHV-UHFFFAOYSA-N 2 2 338.499 3.233 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000279619375 275344619 /nfs/dbraw/zinc/34/46/19/275344619.db2.gz YEFMRJGFESLMBZ-MAUKXSAKSA-N 2 2 340.895 3.118 20 0 EGADLP COC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000279619375 275344620 /nfs/dbraw/zinc/34/46/20/275344620.db2.gz YEFMRJGFESLMBZ-MAUKXSAKSA-N 2 2 340.895 3.118 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000279644887 275346456 /nfs/dbraw/zinc/34/64/56/275346456.db2.gz DIKHFSOMNXZHKH-GFCCVEGCSA-N 2 2 326.282 3.368 20 0 EGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000279714488 275352452 /nfs/dbraw/zinc/35/24/52/275352452.db2.gz LILLRGXTDFFRGK-LAUBAEHRSA-N 2 2 339.483 3.412 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)nn1C ZINC000282327165 275622733 /nfs/dbraw/zinc/62/27/33/275622733.db2.gz UPOVNENHSVZBOT-CYBMUJFWSA-N 2 2 327.407 3.213 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000286518224 276011002 /nfs/dbraw/zinc/01/10/02/276011002.db2.gz XJRFWEVESNOQDQ-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000286518224 276011003 /nfs/dbraw/zinc/01/10/03/276011003.db2.gz XJRFWEVESNOQDQ-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(F)cn1 ZINC000287270094 276103071 /nfs/dbraw/zinc/10/30/71/276103071.db2.gz AXSQCSYYHJXEES-AWEZNQCLSA-N 2 2 340.402 3.325 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287577456 276135459 /nfs/dbraw/zinc/13/54/59/276135459.db2.gz HCPRRBBFTDRIAN-MXASKKJJSA-N 2 2 342.405 3.206 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287577456 276135460 /nfs/dbraw/zinc/13/54/60/276135460.db2.gz HCPRRBBFTDRIAN-MXASKKJJSA-N 2 2 342.405 3.206 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000287821301 276160461 /nfs/dbraw/zinc/16/04/61/276160461.db2.gz VFBSPALAYIEQDL-LCGIIJARSA-N 2 2 330.394 3.377 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)cc1F ZINC000289051379 276284084 /nfs/dbraw/zinc/28/40/84/276284084.db2.gz BJFBSLQGACZKFQ-LLVKDONJSA-N 2 2 346.431 3.119 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289272018 276314088 /nfs/dbraw/zinc/31/40/88/276314088.db2.gz PHJGTCHGMBNCTR-SJLPKXTDSA-N 2 2 327.476 3.138 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289272018 276314090 /nfs/dbraw/zinc/31/40/90/276314090.db2.gz PHJGTCHGMBNCTR-SJLPKXTDSA-N 2 2 327.476 3.138 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cc(C)nc(N4CCCC4)c3)n2c1 ZINC000289805959 276398095 /nfs/dbraw/zinc/39/80/95/276398095.db2.gz MPQCXEVRLHMEPU-UHFFFAOYSA-N 2 2 335.455 3.236 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@H](C)C[NH+](C)C)cs2)cc1 ZINC000291677693 276675671 /nfs/dbraw/zinc/67/56/71/276675671.db2.gz HHPAZYGSLLSXIT-HNNXBMFYSA-N 2 2 333.501 3.318 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000292015370 276721241 /nfs/dbraw/zinc/72/12/41/276721241.db2.gz DSQVORQUKZYMOZ-QAPCUYQASA-N 2 2 349.906 3.077 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000237073562 277031113 /nfs/dbraw/zinc/03/11/13/277031113.db2.gz HDZAYZLQVFTNSD-UHFFFAOYSA-N 2 2 338.499 3.409 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000361236704 277055178 /nfs/dbraw/zinc/05/51/78/277055178.db2.gz LHTIZVUKTGKMRW-SFHVURJKSA-N 2 2 336.520 3.497 20 0 EGADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360943578 277702173 /nfs/dbraw/zinc/70/21/73/277702173.db2.gz WBUONKOOMKJLFI-QZTJIDSGSA-N 3 2 330.520 3.008 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684530 280333676 /nfs/dbraw/zinc/33/36/76/280333676.db2.gz OJWCQQNUJOZWQB-ZTQAJYAQSA-N 2 2 330.472 3.227 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684530 280333681 /nfs/dbraw/zinc/33/36/81/280333681.db2.gz OJWCQQNUJOZWQB-ZTQAJYAQSA-N 2 2 330.472 3.227 20 0 EGADLP CC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)[NH+](CC)CC ZINC000345634549 280681694 /nfs/dbraw/zinc/68/16/94/280681694.db2.gz CVYQKXCUDFJFOZ-GOSISDBHSA-N 2 2 346.519 3.199 20 0 EGADLP C[NH+](C)CC[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)(C)C ZINC000116566764 289177637 /nfs/dbraw/zinc/17/76/37/289177637.db2.gz JNYODLUJFZLQIA-LSDHHAIUSA-N 2 2 335.496 3.013 20 0 EGADLP C[C@H]([NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C(C)(C)n1cncn1 ZINC000340532186 289957660 /nfs/dbraw/zinc/95/76/60/289957660.db2.gz QAIITKICDMJQDF-KRWDZBQOSA-N 2 2 333.524 3.038 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982930 290027496 /nfs/dbraw/zinc/02/74/96/290027496.db2.gz SBDSHAPUZVIEFP-ZJNRKIDTSA-N 2 2 327.472 3.050 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982930 290027497 /nfs/dbraw/zinc/02/74/97/290027497.db2.gz SBDSHAPUZVIEFP-ZJNRKIDTSA-N 2 2 327.472 3.050 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000268873605 290035039 /nfs/dbraw/zinc/03/50/39/290035039.db2.gz GOGRUIKKRRLBMH-HOCLYGCPSA-N 2 2 339.936 3.102 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000268873605 290035040 /nfs/dbraw/zinc/03/50/40/290035040.db2.gz GOGRUIKKRRLBMH-HOCLYGCPSA-N 2 2 339.936 3.102 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000261846677 295315336 /nfs/dbraw/zinc/31/53/36/295315336.db2.gz VJZYNURHUAMJBN-DZGCQCFKSA-N 2 2 326.444 3.219 20 0 EGADLP C[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC(C)(C)C1 ZINC000356795194 297328434 /nfs/dbraw/zinc/32/84/34/297328434.db2.gz XOWAGKFQNSYOKG-KURKYZTESA-N 2 2 349.563 3.076 20 0 EGADLP C[C@@H]1C[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC(C)(C)C1 ZINC000356795194 297328436 /nfs/dbraw/zinc/32/84/36/297328436.db2.gz XOWAGKFQNSYOKG-KURKYZTESA-N 2 2 349.563 3.076 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372988507 298042351 /nfs/dbraw/zinc/04/23/51/298042351.db2.gz BOQBPKSHMIZGAF-ZACQAIPSSA-N 2 2 349.544 3.216 20 0 EGADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372988507 298042355 /nfs/dbraw/zinc/04/23/55/298042355.db2.gz BOQBPKSHMIZGAF-ZACQAIPSSA-N 2 2 349.544 3.216 20 0 EGADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1 ZINC000342382886 303380734 /nfs/dbraw/zinc/38/07/34/303380734.db2.gz HJISVHJXGOZGML-UHFFFAOYSA-N 2 2 349.837 3.269 20 0 EGADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1 ZINC000342382886 303380736 /nfs/dbraw/zinc/38/07/36/303380736.db2.gz HJISVHJXGOZGML-UHFFFAOYSA-N 2 2 349.837 3.269 20 0 EGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000121720558 307522493 /nfs/dbraw/zinc/52/24/93/307522493.db2.gz PLLZWRRVZRLNOX-UHFFFAOYSA-N 3 2 329.532 3.158 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)cc1F ZINC000414063970 309058549 /nfs/dbraw/zinc/05/85/49/309058549.db2.gz FDQVFJFHIPTMIL-ZDUSSCGKSA-N 2 2 339.418 3.313 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC000414087065 309060210 /nfs/dbraw/zinc/06/02/10/309060210.db2.gz ZYEOLUZYWAKZBX-APWZRJJASA-N 2 2 327.472 3.222 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000130575607 307631001 /nfs/dbraw/zinc/63/10/01/307631001.db2.gz XHPCESLBHJKDNT-AWEZNQCLSA-N 2 2 348.450 3.457 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414112714 309061598 /nfs/dbraw/zinc/06/15/98/309061598.db2.gz KAKXQYXGSKTZNB-YTQUADARSA-N 2 2 335.923 3.202 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414112714 309061599 /nfs/dbraw/zinc/06/15/99/309061599.db2.gz KAKXQYXGSKTZNB-YTQUADARSA-N 2 2 335.923 3.202 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414135496 309062823 /nfs/dbraw/zinc/06/28/23/309062823.db2.gz IFKWIRKVILGIFE-BHIYHBOVSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414135496 309062824 /nfs/dbraw/zinc/06/28/24/309062824.db2.gz IFKWIRKVILGIFE-BHIYHBOVSA-N 2 2 336.907 3.413 20 0 EGADLP Cc1cccn2c(C[NH2+]CCNc3ccc4ccccc4n3)c[nH+]c12 ZINC000151168495 307729275 /nfs/dbraw/zinc/72/92/75/307729275.db2.gz DCDSIJNWMURMCW-UHFFFAOYSA-N 2 2 331.423 3.393 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265839 309069647 /nfs/dbraw/zinc/06/96/47/309069647.db2.gz LTMHNLOSNYLDBF-VQIMIIECSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265839 309069648 /nfs/dbraw/zinc/06/96/48/309069648.db2.gz LTMHNLOSNYLDBF-VQIMIIECSA-N 2 2 331.504 3.087 20 0 EGADLP CCc1ncc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414276208 309070111 /nfs/dbraw/zinc/07/01/11/309070111.db2.gz XPOJWFGJVZQHLE-HXUWFJFHSA-N 2 2 338.499 3.212 20 0 EGADLP CCc1ncc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000414276208 309070112 /nfs/dbraw/zinc/07/01/12/309070112.db2.gz XPOJWFGJVZQHLE-HXUWFJFHSA-N 2 2 338.499 3.212 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000158940706 307866058 /nfs/dbraw/zinc/86/60/58/307866058.db2.gz DEFMWEDQXWQYGD-ZFWWWQNUSA-N 2 2 328.859 3.223 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000414345542 309074408 /nfs/dbraw/zinc/07/44/08/309074408.db2.gz LLRAFNZNSZZXET-KEYYUXOJSA-N 2 2 329.463 3.463 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000414345542 309074409 /nfs/dbraw/zinc/07/44/09/309074409.db2.gz LLRAFNZNSZZXET-KEYYUXOJSA-N 2 2 329.463 3.463 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414361680 309075082 /nfs/dbraw/zinc/07/50/82/309075082.db2.gz ICYRZWPQCPGJTP-MJGOQNOKSA-N 2 2 342.487 3.052 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000414376498 309076434 /nfs/dbraw/zinc/07/64/34/309076434.db2.gz CVLFZWYAINCWQU-UHFFFAOYSA-N 2 2 339.418 3.353 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248389101 308001666 /nfs/dbraw/zinc/00/16/66/308001666.db2.gz RRJFQWNFPBWRFY-MJGOQNOKSA-N 2 2 334.479 3.191 20 0 EGADLP C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248389101 308001667 /nfs/dbraw/zinc/00/16/67/308001667.db2.gz RRJFQWNFPBWRFY-MJGOQNOKSA-N 2 2 334.479 3.191 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005038 /nfs/dbraw/zinc/00/50/38/308005038.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005039 /nfs/dbraw/zinc/00/50/39/308005039.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005041 /nfs/dbraw/zinc/00/50/41/308005041.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248547220 308005042 /nfs/dbraw/zinc/00/50/42/308005042.db2.gz GAYHQLPOQVPIQG-DZFGPLHGSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000249189912 308021154 /nfs/dbraw/zinc/02/11/54/308021154.db2.gz NLGQJGVEMFRRCP-MAUKXSAKSA-N 2 2 330.451 3.348 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)C1 ZINC000249189912 308021156 /nfs/dbraw/zinc/02/11/56/308021156.db2.gz NLGQJGVEMFRRCP-MAUKXSAKSA-N 2 2 330.451 3.348 20 0 EGADLP CCc1ncc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000414393068 309077530 /nfs/dbraw/zinc/07/75/30/309077530.db2.gz CWHDQTBMXHUNQS-KRWDZBQOSA-N 2 2 335.455 3.362 20 0 EGADLP CCc1ncc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000414393068 309077531 /nfs/dbraw/zinc/07/75/31/309077531.db2.gz CWHDQTBMXHUNQS-KRWDZBQOSA-N 2 2 335.455 3.362 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293107102 308100222 /nfs/dbraw/zinc/10/02/22/308100222.db2.gz YFQIQUDINBWINW-FQEVSTJZSA-N 2 2 325.456 3.077 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293107102 308100223 /nfs/dbraw/zinc/10/02/23/308100223.db2.gz YFQIQUDINBWINW-FQEVSTJZSA-N 2 2 325.456 3.077 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293107102 308100224 /nfs/dbraw/zinc/10/02/24/308100224.db2.gz YFQIQUDINBWINW-FQEVSTJZSA-N 2 2 325.456 3.077 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293107102 308100225 /nfs/dbraw/zinc/10/02/25/308100225.db2.gz YFQIQUDINBWINW-FQEVSTJZSA-N 2 2 325.456 3.077 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000293722889 308155963 /nfs/dbraw/zinc/15/59/63/308155963.db2.gz YRIGPOXQCZZRRG-UHFFFAOYSA-N 2 2 326.868 3.025 20 0 EGADLP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293742119 308157915 /nfs/dbraw/zinc/15/79/15/308157915.db2.gz VYTRYDDZVSRZSL-FQEVSTJZSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293742119 308157916 /nfs/dbraw/zinc/15/79/16/308157916.db2.gz VYTRYDDZVSRZSL-FQEVSTJZSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293742119 308157917 /nfs/dbraw/zinc/15/79/17/308157917.db2.gz VYTRYDDZVSRZSL-FQEVSTJZSA-N 2 2 326.488 3.364 20 0 EGADLP CCCn1c2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293742119 308157918 /nfs/dbraw/zinc/15/79/18/308157918.db2.gz VYTRYDDZVSRZSL-FQEVSTJZSA-N 2 2 326.488 3.364 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294182164 308197790 /nfs/dbraw/zinc/19/77/90/308197790.db2.gz NRNGPHJJVROMJQ-HOCLYGCPSA-N 2 2 328.460 3.124 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1Cl ZINC000294931073 308272748 /nfs/dbraw/zinc/27/27/48/308272748.db2.gz IYVPWPRIROGZLH-UHFFFAOYSA-N 2 2 333.819 3.160 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)c3ccc(F)cc3)CC2)C1 ZINC000295146918 308296887 /nfs/dbraw/zinc/29/68/87/308296887.db2.gz QPYPEHQFQKZGDW-UIAACRFSSA-N 2 2 334.479 3.492 20 0 EGADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000295158612 308297762 /nfs/dbraw/zinc/29/77/62/308297762.db2.gz RYGJMFRGTQDOPJ-AWEZNQCLSA-N 2 2 332.448 3.117 20 0 EGADLP C[N@@H+](Cc1cnn(CC(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000295282903 308310672 /nfs/dbraw/zinc/31/06/72/308310672.db2.gz IORIMDQMCJXHFP-UHFFFAOYSA-N 2 2 348.441 3.245 20 0 EGADLP FC(F)(F)c1csc(C2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000296345826 308417780 /nfs/dbraw/zinc/41/77/80/308417780.db2.gz QDHXBFAASKUREN-UHFFFAOYSA-N 2 2 330.379 3.238 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414743518 309098468 /nfs/dbraw/zinc/09/84/68/309098468.db2.gz HGMHKQYQYZDKDC-WBVHZDCISA-N 3 2 326.488 3.370 20 0 EGADLP Clc1ccc(OCc2cccnc2)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414790695 309101567 /nfs/dbraw/zinc/10/15/67/309101567.db2.gz PTBIEHLJRMTTAD-UHFFFAOYSA-N 2 2 331.847 3.156 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H](Nc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000301519144 308703658 /nfs/dbraw/zinc/70/36/58/308703658.db2.gz HFBZCYPFKOJZLD-GDBMZVCRSA-N 2 2 336.443 3.100 20 0 EGADLP COc1cccc2c(N[C@@H](C)[C@H](C)[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000301669168 308710070 /nfs/dbraw/zinc/71/00/70/308710070.db2.gz MYJKIQOTOOXBAK-GJZGRUSLSA-N 2 2 329.444 3.073 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301881004 308719625 /nfs/dbraw/zinc/71/96/25/308719625.db2.gz KCUQLTCNYWEDII-HNNXBMFYSA-N 2 2 342.491 3.036 20 0 EGADLP C[C@H]([NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1nc2c(s1)CCCC2 ZINC000333260952 308854799 /nfs/dbraw/zinc/85/47/99/308854799.db2.gz MBPXNHPFSGIFST-XEZPLFJOSA-N 2 2 346.500 3.326 20 0 EGADLP CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1[nH]cc[nH+]1 ZINC000412279138 308978683 /nfs/dbraw/zinc/97/86/83/308978683.db2.gz XQSNCDPXHJZSBV-QGZVFWFLSA-N 2 2 326.444 3.277 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c(-c2ccccc2)cc1OC ZINC000414849404 309105471 /nfs/dbraw/zinc/10/54/71/309105471.db2.gz RBUBFYGZAVOQHM-KRWDZBQOSA-N 2 2 326.440 3.212 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000414892382 309107690 /nfs/dbraw/zinc/10/76/90/309107690.db2.gz WZFVDXAQEFVKHT-CVEARBPZSA-N 2 2 330.394 3.167 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)c(-c2ccnn2C)c1 ZINC000414922207 309109532 /nfs/dbraw/zinc/10/95/32/309109532.db2.gz CJDIVGPGOPOKIK-IBGZPJMESA-N 2 2 326.488 3.263 20 0 EGADLP COc1cccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1OC(F)F ZINC000414927150 309109580 /nfs/dbraw/zinc/10/95/80/309109580.db2.gz LHZCCFXVFZLFDL-CQSZACIVSA-N 2 2 328.403 3.164 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@@H]3CCC[NH2+][C@@H]3C)cc2)cs1 ZINC000414936560 309110070 /nfs/dbraw/zinc/11/00/70/309110070.db2.gz CZJZFPPJTFJRDF-FZKQIMNGSA-N 2 2 331.485 3.261 20 0 EGADLP Clc1ccc(OC2CCCC2)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415029339 309115288 /nfs/dbraw/zinc/11/52/88/309115288.db2.gz AUEWWMFCYJTXHQ-QGZVFWFLSA-N 2 2 338.879 3.130 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032834 309115479 /nfs/dbraw/zinc/11/54/79/309115479.db2.gz AYRMCSODUJKPQX-CABCVRRESA-N 2 2 347.532 3.187 20 0 EGADLP Cc1nn2c(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032834 309115480 /nfs/dbraw/zinc/11/54/80/309115480.db2.gz AYRMCSODUJKPQX-CABCVRRESA-N 2 2 347.532 3.187 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044902 309116162 /nfs/dbraw/zinc/11/61/62/309116162.db2.gz CCMLZMYKCHDRGL-SFHVURJKSA-N 2 2 332.879 3.441 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000415058639 309117369 /nfs/dbraw/zinc/11/73/69/309117369.db2.gz WDYFFQMNRTXVJW-ZDUSSCGKSA-N 2 2 328.382 3.055 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000415062537 309117773 /nfs/dbraw/zinc/11/77/73/309117773.db2.gz FOWPBANTUXFEKB-QGZVFWFLSA-N 2 2 326.469 3.490 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415081179 309118966 /nfs/dbraw/zinc/11/89/66/309118966.db2.gz KISROGLRRIEAAB-QFBILLFUSA-N 2 2 334.504 3.290 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415094408 309119873 /nfs/dbraw/zinc/11/98/73/309119873.db2.gz XENAUMONBDLLQU-CRAIPNDOSA-N 2 2 341.455 3.072 20 0 EGADLP Clc1cc(Cl)cc(CN2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415125212 309122283 /nfs/dbraw/zinc/12/22/83/309122283.db2.gz RZVFYSLPGUZTGF-KRWDZBQOSA-N 2 2 342.314 3.299 20 0 EGADLP Clc1cc(Cl)cc(C[NH+]2CCC(N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000415125212 309122284 /nfs/dbraw/zinc/12/22/84/309122284.db2.gz RZVFYSLPGUZTGF-KRWDZBQOSA-N 2 2 342.314 3.299 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126994 309122323 /nfs/dbraw/zinc/12/23/23/309122323.db2.gz HNPTXPCMYGYGFL-UHFFFAOYSA-N 3 2 345.437 3.048 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000415131477 309122729 /nfs/dbraw/zinc/12/27/29/309122729.db2.gz SIKCFFACHQQKFA-HUUCEWRRSA-N 2 2 331.485 3.139 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000415131477 309122730 /nfs/dbraw/zinc/12/27/30/309122730.db2.gz SIKCFFACHQQKFA-HUUCEWRRSA-N 2 2 331.485 3.139 20 0 EGADLP CCCN(C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CC[NH2+]CC1 ZINC000415138182 309123187 /nfs/dbraw/zinc/12/31/87/309123187.db2.gz JVIWFSOIOPCTOO-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415140390 309123389 /nfs/dbraw/zinc/12/33/89/309123389.db2.gz ZBORWMMZXDNDIU-UHFFFAOYSA-N 3 2 337.511 3.387 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC[C@H](C)[NH3+])c1 ZINC000415292249 309130051 /nfs/dbraw/zinc/13/00/51/309130051.db2.gz IVSMPTDHESGEQT-AWEZNQCLSA-N 2 2 329.448 3.209 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC(C)(C)C[NH3+])c1 ZINC000415294734 309130174 /nfs/dbraw/zinc/13/01/74/309130174.db2.gz OUMRSVZYLCTNIL-UHFFFAOYSA-N 2 2 329.448 3.209 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H](C)C[NH2+]C)c1 ZINC000415297505 309130271 /nfs/dbraw/zinc/13/02/71/309130271.db2.gz VEODXLHFLBQTLC-HNNXBMFYSA-N 2 2 343.475 3.327 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415965719 309151641 /nfs/dbraw/zinc/15/16/41/309151641.db2.gz YKWSDLXWRAANTH-MRXNPFEDSA-N 2 2 327.432 3.121 20 0 EGADLP Cc1nc(C[NH+]2CCC([NH3+])CC2)sc1Cc1ccc(F)cc1F ZINC000416404055 309171142 /nfs/dbraw/zinc/17/11/42/309171142.db2.gz VFONJSPWPJUKMD-UHFFFAOYSA-N 2 2 337.439 3.244 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)n1C ZINC000419689455 309271064 /nfs/dbraw/zinc/27/10/64/309271064.db2.gz IUFDSRPQWSXAPI-HNNXBMFYSA-N 2 2 334.851 3.143 20 0 EGADLP CC(C)c1nc(N2CCC(OCCC[NH3+])CC2)cc(C(C)(C)C)[nH+]1 ZINC000420208214 309277298 /nfs/dbraw/zinc/27/72/98/309277298.db2.gz RYCGLMRUZYXFNN-UHFFFAOYSA-N 2 2 334.508 3.232 20 0 EGADLP Fc1cc(OCC[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1Cl ZINC000420291912 309279735 /nfs/dbraw/zinc/27/97/35/309279735.db2.gz OKZUYXJJLRDEST-UHFFFAOYSA-N 2 2 326.843 3.322 20 0 EGADLP CCC[N@H+](Cc1csc(Nc2ccccc2)n1)C1CC[NH2+]CC1 ZINC000420315725 309281505 /nfs/dbraw/zinc/28/15/05/309281505.db2.gz LECPGJQKTHDXPZ-UHFFFAOYSA-N 2 2 330.501 3.273 20 0 EGADLP CCC[N@@H+](Cc1csc(Nc2ccccc2)n1)C1CC[NH2+]CC1 ZINC000420315725 309281506 /nfs/dbraw/zinc/28/15/06/309281506.db2.gz LECPGJQKTHDXPZ-UHFFFAOYSA-N 2 2 330.501 3.273 20 0 EGADLP CCC[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)C1CC[NH2+]CC1 ZINC000420319796 309281787 /nfs/dbraw/zinc/28/17/87/309281787.db2.gz PMNDEKUOQLJJSX-UHFFFAOYSA-N 2 2 334.414 3.115 20 0 EGADLP CCC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)C1CC[NH2+]CC1 ZINC000420319796 309281788 /nfs/dbraw/zinc/28/17/88/309281788.db2.gz PMNDEKUOQLJJSX-UHFFFAOYSA-N 2 2 334.414 3.115 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326645 309282243 /nfs/dbraw/zinc/28/22/43/309282243.db2.gz XRMADODJGOAEPU-IAGOWNOFSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326645 309282244 /nfs/dbraw/zinc/28/22/44/309282244.db2.gz XRMADODJGOAEPU-IAGOWNOFSA-N 2 2 349.478 3.119 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000420365356 309284253 /nfs/dbraw/zinc/28/42/53/309284253.db2.gz PWWADLGALMWHOH-KRWDZBQOSA-N 2 2 329.513 3.406 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc(Cl)c1Cl ZINC000420368279 309284523 /nfs/dbraw/zinc/28/45/23/309284523.db2.gz NMPVCYLYTZBQRO-DZHLUBAWSA-N 2 2 344.286 3.297 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)C1CCCCC1 ZINC000420370168 309284546 /nfs/dbraw/zinc/28/45/46/309284546.db2.gz OSUYALHMUCBPLY-KRWDZBQOSA-N 2 2 334.414 3.148 20 0 EGADLP CCC[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420366448 309284568 /nfs/dbraw/zinc/28/45/68/309284568.db2.gz UPKWXGUEKYNHBI-MOPGFXCFSA-N 2 2 331.504 3.141 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)C1CCCCC1 ZINC000420380594 309285251 /nfs/dbraw/zinc/28/52/51/309285251.db2.gz YIFFTAHETMSAAT-HXUWFJFHSA-N 2 2 343.515 3.310 20 0 EGADLP Fc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378982 309285398 /nfs/dbraw/zinc/28/53/98/309285398.db2.gz UVJGIWVGUQQSNS-DYVFJYSZSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420378982 309285399 /nfs/dbraw/zinc/28/53/99/309285399.db2.gz UVJGIWVGUQQSNS-DYVFJYSZSA-N 2 2 326.843 3.242 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420389215 309286019 /nfs/dbraw/zinc/28/60/19/309286019.db2.gz HHSPQUADHDLXEY-MOPGFXCFSA-N 2 2 343.515 3.214 20 0 EGADLP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420389215 309286020 /nfs/dbraw/zinc/28/60/20/309286020.db2.gz HHSPQUADHDLXEY-MOPGFXCFSA-N 2 2 343.515 3.214 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420394023 309286172 /nfs/dbraw/zinc/28/61/72/309286172.db2.gz CIWIOALABMQNKV-WHOFXGATSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420394023 309286173 /nfs/dbraw/zinc/28/61/73/309286173.db2.gz CIWIOALABMQNKV-WHOFXGATSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420408909 309286973 /nfs/dbraw/zinc/28/69/73/309286973.db2.gz WKSCFEYIJBGOIP-YOEHRIQHSA-N 2 2 335.879 3.051 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420408909 309286974 /nfs/dbraw/zinc/28/69/74/309286974.db2.gz WKSCFEYIJBGOIP-YOEHRIQHSA-N 2 2 335.879 3.051 20 0 EGADLP C[C@H]1CC[N@H+](Cc2csc(CCc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420422785 309287032 /nfs/dbraw/zinc/28/70/32/309287032.db2.gz ZRJRCNQSWHAECU-DOTOQJQBSA-N 2 2 329.513 3.345 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000420422785 309287033 /nfs/dbraw/zinc/28/70/33/309287033.db2.gz ZRJRCNQSWHAECU-DOTOQJQBSA-N 2 2 329.513 3.345 20 0 EGADLP Cc1cc(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC000420781171 309294462 /nfs/dbraw/zinc/29/44/62/309294462.db2.gz OVYWBXNVQFXJFY-HOTGVXAUSA-N 2 2 346.519 3.256 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc(C)[nH+]1 ZINC000420812954 309296159 /nfs/dbraw/zinc/29/61/59/309296159.db2.gz GSDNNICWPNLSHW-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc(C)[nH+]1 ZINC000420812954 309296160 /nfs/dbraw/zinc/29/61/60/309296160.db2.gz GSDNNICWPNLSHW-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP CCCO[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420911874 309300496 /nfs/dbraw/zinc/30/04/96/309300496.db2.gz GPXDYNDZBKOLCW-OAQYLSRUSA-N 2 2 346.515 3.300 20 0 EGADLP CCCO[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420911874 309300497 /nfs/dbraw/zinc/30/04/97/309300497.db2.gz GPXDYNDZBKOLCW-OAQYLSRUSA-N 2 2 346.515 3.300 20 0 EGADLP c1cc2c(s1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420909425 309300507 /nfs/dbraw/zinc/30/05/07/309300507.db2.gz YHSKJDVVRJTZEK-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP c1cc2c(s1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000420909425 309300508 /nfs/dbraw/zinc/30/05/08/309300508.db2.gz YHSKJDVVRJTZEK-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932034 309302108 /nfs/dbraw/zinc/30/21/08/309302108.db2.gz GXYCQSREHSRCOU-QGZVFWFLSA-N 2 2 340.467 3.417 20 0 EGADLP C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932034 309302109 /nfs/dbraw/zinc/30/21/09/309302109.db2.gz GXYCQSREHSRCOU-QGZVFWFLSA-N 2 2 340.467 3.417 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422010836 309350859 /nfs/dbraw/zinc/35/08/59/309350859.db2.gz CBVMVVPXZBZHED-SFHVURJKSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422010836 309350860 /nfs/dbraw/zinc/35/08/60/309350860.db2.gz CBVMVVPXZBZHED-SFHVURJKSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422214577 309358166 /nfs/dbraw/zinc/35/81/66/309358166.db2.gz SUXKJGBOHSJOCE-MOPGFXCFSA-N 2 2 346.519 3.398 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c2ccccc21 ZINC000422705353 309363935 /nfs/dbraw/zinc/36/39/35/309363935.db2.gz RJDIXOARXBRMIS-CVEARBPZSA-N 2 2 330.815 3.346 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1C[NH2+]C1 ZINC000422721341 309364756 /nfs/dbraw/zinc/36/47/56/309364756.db2.gz VCXYFCHIUKMUMH-KRWDZBQOSA-N 3 2 346.478 3.296 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000422719866 309364800 /nfs/dbraw/zinc/36/48/00/309364800.db2.gz YQJVOXBIUJDBNR-MSOLQXFVSA-N 2 2 327.403 3.047 20 0 EGADLP Cc1ccc(C[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccn2)cc1 ZINC000422749484 309366516 /nfs/dbraw/zinc/36/65/16/309366516.db2.gz ZJNGNRZRSKXVIO-LMNJBCLMSA-N 2 2 339.483 3.030 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@@H](C)CCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000422753731 309366656 /nfs/dbraw/zinc/36/66/56/309366656.db2.gz GIVBWZCMMRDWAM-FXAWDEMLSA-N 3 2 333.520 3.329 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422808425 309369602 /nfs/dbraw/zinc/36/96/02/309369602.db2.gz LCZRXNSTFJSJBD-VQTJNVASSA-N 2 2 337.467 3.403 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccnc2OCC(F)(F)F)c2ccccc21 ZINC000422827499 309370591 /nfs/dbraw/zinc/37/05/91/309370591.db2.gz NBXFHHOYVYPCOF-GJZGRUSLSA-N 2 2 337.345 3.257 20 0 EGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000422831040 309370948 /nfs/dbraw/zinc/37/09/48/309370948.db2.gz SDLMYLJNMURVER-YLJYHZDGSA-N 3 2 326.488 3.332 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422845019 309371671 /nfs/dbraw/zinc/37/16/71/309371671.db2.gz ARTWSPXORWYVMC-CRAIPNDOSA-N 2 2 329.513 3.406 20 0 EGADLP CC[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nc1C)[C@H]1CCCC[NH2+]1 ZINC000422853586 309372093 /nfs/dbraw/zinc/37/20/93/309372093.db2.gz ZGODUYNORTULMZ-RTBURBONSA-N 2 2 330.451 3.330 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422853755 309372229 /nfs/dbraw/zinc/37/22/29/309372229.db2.gz CFPKGZFAYSCFHN-HUUCEWRRSA-N 2 2 337.345 3.257 20 0 EGADLP CCc1nc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422883830 309373888 /nfs/dbraw/zinc/37/38/88/309373888.db2.gz CZPLLKRUZBBOQM-CRAIPNDOSA-N 2 2 329.469 3.051 20 0 EGADLP CCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000422889890 309374502 /nfs/dbraw/zinc/37/45/02/309374502.db2.gz QQXTXDWBAIGJQL-WFASDCNBSA-N 2 2 328.403 3.307 20 0 EGADLP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422916439 309375970 /nfs/dbraw/zinc/37/59/70/309375970.db2.gz AOOIGZLHVGGIQM-TUKIKUTGSA-N 2 2 328.378 3.437 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCC[NH2+]1 ZINC000422942563 309377344 /nfs/dbraw/zinc/37/73/44/309377344.db2.gz JFSAWZDEHYEHNH-BXKDBHETSA-N 2 2 349.219 3.281 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000422958806 309378251 /nfs/dbraw/zinc/37/82/51/309378251.db2.gz QAXMKOQZFDCUHS-HGHGUNKESA-N 2 2 340.467 3.141 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])O[C@H](C)C2 ZINC000422960064 309378353 /nfs/dbraw/zinc/37/83/53/309378353.db2.gz AOIRWEWMLFTYOQ-ZRGWGRIASA-N 2 2 340.467 3.067 20 0 EGADLP CC[C@@H]([NH2+]Cc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]1 ZINC000423054358 309383328 /nfs/dbraw/zinc/38/33/28/309383328.db2.gz UOWGQHGZPNODIN-CABCVRRESA-N 2 2 339.277 3.004 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423056526 309383561 /nfs/dbraw/zinc/38/35/61/309383561.db2.gz YDZUAVJAGJVMLB-STQMWFEESA-N 2 2 328.859 3.113 20 0 EGADLP COCc1nc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2ccccc2)s1 ZINC000423096201 309385777 /nfs/dbraw/zinc/38/57/77/309385777.db2.gz HGCSWSFFKCZEHZ-OAHLLOKOSA-N 2 2 331.485 3.188 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)c2ccccc21 ZINC000423102235 309385997 /nfs/dbraw/zinc/38/59/97/309385997.db2.gz OJJRLONALSYDRO-CABCVRRESA-N 2 2 337.345 3.257 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142736 309388083 /nfs/dbraw/zinc/38/80/83/309388083.db2.gz VRLYTEUUSZSCPS-NRSPTQNISA-N 3 2 329.532 3.409 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423142736 309388084 /nfs/dbraw/zinc/38/80/84/309388084.db2.gz VRLYTEUUSZSCPS-NRSPTQNISA-N 3 2 329.532 3.409 20 0 EGADLP CC[NH2+]CC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000423235769 309391873 /nfs/dbraw/zinc/39/18/73/309391873.db2.gz BCOIGMIJEXSOCW-HXUWFJFHSA-N 2 2 328.456 3.187 20 0 EGADLP COCCC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423235920 309391876 /nfs/dbraw/zinc/39/18/76/309391876.db2.gz NQNIWPXGJQBJTN-CVEARBPZSA-N 2 2 341.293 3.258 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268555 309393226 /nfs/dbraw/zinc/39/32/26/309393226.db2.gz UUBIGEZXTBPFDF-YYWHXJBOSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268555 309393227 /nfs/dbraw/zinc/39/32/27/309393227.db2.gz UUBIGEZXTBPFDF-YYWHXJBOSA-N 3 2 329.532 3.394 20 0 EGADLP Fc1ccc(Br)cc1[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423304163 309394655 /nfs/dbraw/zinc/39/46/55/309394655.db2.gz NIOUKFHRFQDWKK-KRWDZBQOSA-N 2 2 349.247 3.487 20 0 EGADLP Clc1ccccc1[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423304147 309394714 /nfs/dbraw/zinc/39/47/14/309394714.db2.gz NGCMFGLNBBYDCP-IBGZPJMESA-N 2 2 344.842 3.010 20 0 EGADLP Brc1ccccc1[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1 ZINC000423305332 309394725 /nfs/dbraw/zinc/39/47/25/309394725.db2.gz QRXLKXFGSQUMCY-QGZVFWFLSA-N 2 2 331.257 3.348 20 0 EGADLP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000423310257 309394758 /nfs/dbraw/zinc/39/47/58/309394758.db2.gz ROTHPEUYPHWQAT-ZUZCIYMTSA-N 2 2 341.224 3.455 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423318948 309394983 /nfs/dbraw/zinc/39/49/83/309394983.db2.gz LEZWEFVHLHTANC-PRHODGIISA-N 2 2 336.329 3.277 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1NC(C)=O ZINC000423388565 309398157 /nfs/dbraw/zinc/39/81/57/309398157.db2.gz MXRSZUBZDQYFBW-UGSOOPFHSA-N 2 2 333.476 3.082 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423391045 309398340 /nfs/dbraw/zinc/39/83/40/309398340.db2.gz PBNSCBYBNPPMSW-RTBURBONSA-N 2 2 341.503 3.086 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCC[NH2+]1 ZINC000423414594 309399282 /nfs/dbraw/zinc/39/92/82/309399282.db2.gz CJCBAWULRYHHPU-GOEBONIOSA-N 2 2 326.893 3.235 20 0 EGADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)(C)C[NH+](C)C ZINC000425234031 309469592 /nfs/dbraw/zinc/46/95/92/309469592.db2.gz LPYXFBOCWXSVDW-DOTOQJQBSA-N 2 2 342.487 3.024 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)C[NH+](C)C ZINC000425944442 309495445 /nfs/dbraw/zinc/49/54/45/309495445.db2.gz MZXSNXKWASWMAU-QMTHXVAHSA-N 2 2 329.257 3.363 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c(Br)c1 ZINC000425917952 309494766 /nfs/dbraw/zinc/49/47/66/309494766.db2.gz HHBWLEPSGUCEDC-NEPJUHHUSA-N 2 2 329.282 3.306 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000427894666 309537697 /nfs/dbraw/zinc/53/76/97/309537697.db2.gz RBAYXDXJGHITSM-WCQYABFASA-N 2 2 325.334 3.447 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc3)[nH+]c12 ZINC000433153815 309680186 /nfs/dbraw/zinc/68/01/86/309680186.db2.gz XOLYOBCGYPXBLT-QGZVFWFLSA-N 2 2 336.439 3.479 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689145 309717786 /nfs/dbraw/zinc/71/77/86/309717786.db2.gz UNTBJCPOHWAOOF-CVEARBPZSA-N 2 2 346.519 3.092 20 0 EGADLP C[C@@H](Cc1ccccc1F)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000437789197 309799762 /nfs/dbraw/zinc/79/97/62/309799762.db2.gz VIJLWDHGJHOOCE-MAUKXSAKSA-N 2 2 342.462 3.404 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552419 310006021 /nfs/dbraw/zinc/00/60/21/310006021.db2.gz XFUQZPNWMMVWAR-LJQANCHMSA-N 2 2 340.515 3.426 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552419 310006022 /nfs/dbraw/zinc/00/60/22/310006022.db2.gz XFUQZPNWMMVWAR-LJQANCHMSA-N 2 2 340.515 3.426 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449034411 310031491 /nfs/dbraw/zinc/03/14/91/310031491.db2.gz JLOMZEKZAVFYJI-ZDUSSCGKSA-N 2 2 348.288 3.381 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000449034411 310031492 /nfs/dbraw/zinc/03/14/92/310031492.db2.gz JLOMZEKZAVFYJI-ZDUSSCGKSA-N 2 2 348.288 3.381 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(F)cc(Br)c1)Cn1cc[nH+]c1 ZINC000449102082 310037197 /nfs/dbraw/zinc/03/71/97/310037197.db2.gz ILBHDJGAXYZYOM-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000449120394 310038410 /nfs/dbraw/zinc/03/84/10/310038410.db2.gz CTXLIOOWHWMTAU-QGZVFWFLSA-N 2 2 346.519 3.102 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449230078 310046386 /nfs/dbraw/zinc/04/63/86/310046386.db2.gz HGVOPQDBAANFIS-MRXNPFEDSA-N 2 2 327.476 3.186 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449230078 310046387 /nfs/dbraw/zinc/04/63/87/310046387.db2.gz HGVOPQDBAANFIS-MRXNPFEDSA-N 2 2 327.476 3.186 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000449324102 310053671 /nfs/dbraw/zinc/05/36/71/310053671.db2.gz XYEQDIHVKPEDER-IPQPSQTFSA-N 2 2 335.536 3.019 20 0 EGADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000449324102 310053672 /nfs/dbraw/zinc/05/36/72/310053672.db2.gz XYEQDIHVKPEDER-IPQPSQTFSA-N 2 2 335.536 3.019 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334440 310054489 /nfs/dbraw/zinc/05/44/89/310054489.db2.gz XJRGUTOXHXJMFY-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334440 310054490 /nfs/dbraw/zinc/05/44/90/310054490.db2.gz XJRGUTOXHXJMFY-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334440 310054491 /nfs/dbraw/zinc/05/44/91/310054491.db2.gz XJRGUTOXHXJMFY-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334440 310054492 /nfs/dbraw/zinc/05/44/92/310054492.db2.gz XJRGUTOXHXJMFY-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385149 310057937 /nfs/dbraw/zinc/05/79/37/310057937.db2.gz DXVKXOUHHYOPNL-LMPOIIKSSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385149 310057938 /nfs/dbraw/zinc/05/79/38/310057938.db2.gz DXVKXOUHHYOPNL-LMPOIIKSSA-N 2 2 336.442 3.180 20 0 EGADLP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000449482964 310065816 /nfs/dbraw/zinc/06/58/16/310065816.db2.gz FGAUOCXAYDDDLF-OAQYLSRUSA-N 2 2 339.483 3.197 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CC3CC3)CC2)cc1 ZINC000449523514 310069068 /nfs/dbraw/zinc/06/90/68/310069068.db2.gz LNDBHOSUIOGZEU-OAHLLOKOSA-N 2 2 329.488 3.388 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2nccn21 ZINC000449571510 310072840 /nfs/dbraw/zinc/07/28/40/310072840.db2.gz LTWRQCAWNAGILM-KXBFYZLASA-N 2 2 342.462 3.325 20 0 EGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449761564 310085169 /nfs/dbraw/zinc/08/51/69/310085169.db2.gz YTMTUHVDGPCZLJ-GDBMZVCRSA-N 2 2 337.533 3.347 20 0 EGADLP CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449761564 310085170 /nfs/dbraw/zinc/08/51/70/310085170.db2.gz YTMTUHVDGPCZLJ-GDBMZVCRSA-N 2 2 337.533 3.347 20 0 EGADLP C[C@@H]1C[N@H+](CCCNc2[nH+]cnc3[nH]c4ccccc4c32)CCCO1 ZINC000450484408 310125621 /nfs/dbraw/zinc/12/56/21/310125621.db2.gz GULHBXZSQPDTPK-CQSZACIVSA-N 2 2 339.443 3.024 20 0 EGADLP C[C@@H]1C[N@@H+](CCCNc2[nH+]cnc3[nH]c4ccccc4c32)CCCO1 ZINC000450484408 310125622 /nfs/dbraw/zinc/12/56/22/310125622.db2.gz GULHBXZSQPDTPK-CQSZACIVSA-N 2 2 339.443 3.024 20 0 EGADLP C[C@H]1C[N@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450638216 310134371 /nfs/dbraw/zinc/13/43/71/310134371.db2.gz BLOMKOQHCHSJCH-HKPPCEJWSA-N 2 2 345.575 3.161 20 0 EGADLP C[C@H]1C[N@@H+](CC23CC4CC(CC(C4)C2)C3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450638216 310134372 /nfs/dbraw/zinc/13/43/72/310134372.db2.gz BLOMKOQHCHSJCH-HKPPCEJWSA-N 2 2 345.575 3.161 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000451020904 310155791 /nfs/dbraw/zinc/15/57/91/310155791.db2.gz AJTKFPYSMVYTKH-LSDHHAIUSA-N 2 2 339.430 3.426 20 0 EGADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000451020904 310155792 /nfs/dbraw/zinc/15/57/92/310155792.db2.gz AJTKFPYSMVYTKH-LSDHHAIUSA-N 2 2 339.430 3.426 20 0 EGADLP OCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000451312898 310171155 /nfs/dbraw/zinc/17/11/55/310171155.db2.gz VMYMKLWGBPZFDW-OAHLLOKOSA-N 2 2 327.350 3.005 20 0 EGADLP COC1(CC[NH+]2CC[N@@H+](CCC3(OC)CCC3)CC(C)C2)CCC1 ZINC000451889548 310201697 /nfs/dbraw/zinc/20/16/97/310201697.db2.gz KYSHYLQRUGDLBI-UHFFFAOYSA-N 2 2 338.536 3.159 20 0 EGADLP COC1(CC[NH+]2CC[N@H+](CCC3(OC)CCC3)CC(C)C2)CCC1 ZINC000451889548 310201698 /nfs/dbraw/zinc/20/16/98/310201698.db2.gz KYSHYLQRUGDLBI-UHFFFAOYSA-N 2 2 338.536 3.159 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247196 310266493 /nfs/dbraw/zinc/26/64/93/310266493.db2.gz DOJCJMYHRLKGFT-ZFWWWQNUSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247196 310266494 /nfs/dbraw/zinc/26/64/94/310266494.db2.gz DOJCJMYHRLKGFT-ZFWWWQNUSA-N 2 2 346.393 3.083 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000453264275 310267903 /nfs/dbraw/zinc/26/79/03/310267903.db2.gz MMGAZTODRXOAIV-IEBWSBKVSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000453264275 310267904 /nfs/dbraw/zinc/26/79/04/310267904.db2.gz MMGAZTODRXOAIV-IEBWSBKVSA-N 2 2 336.907 3.098 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264805 310267922 /nfs/dbraw/zinc/26/79/22/310267922.db2.gz MYSZJIXDGITPCR-WMZOPIPTSA-N 2 2 334.504 3.361 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(OC(C)(C)C)cc1 ZINC000453264805 310267923 /nfs/dbraw/zinc/26/79/23/310267923.db2.gz MYSZJIXDGITPCR-WMZOPIPTSA-N 2 2 334.504 3.361 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274509 310268706 /nfs/dbraw/zinc/26/87/06/310268706.db2.gz WIVGREMSWUTKAM-WBMJQRKESA-N 2 2 343.298 3.417 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000453274509 310268707 /nfs/dbraw/zinc/26/87/07/310268707.db2.gz WIVGREMSWUTKAM-WBMJQRKESA-N 2 2 343.298 3.417 20 0 EGADLP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000453404759 310275134 /nfs/dbraw/zinc/27/51/34/310275134.db2.gz PTAYKMCQHSQYPZ-UHFFFAOYSA-N 2 2 344.890 3.235 20 0 EGADLP CC(C)[NH+](CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)C(C)C ZINC000454647297 310321934 /nfs/dbraw/zinc/32/19/34/310321934.db2.gz JOBJRNRKOYDNAV-INIZCTEOSA-N 2 2 349.523 3.022 20 0 EGADLP Cc1cc(C)c(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c[nH+]1 ZINC000455557977 310366665 /nfs/dbraw/zinc/36/66/65/310366665.db2.gz MAFKCXVCIDJDAW-UHFFFAOYSA-N 2 2 344.503 3.104 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1 ZINC000456841452 310425085 /nfs/dbraw/zinc/42/50/85/310425085.db2.gz OSHMLNQPXMWAKB-UHFFFAOYSA-N 2 2 325.456 3.470 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000474053410 310784419 /nfs/dbraw/zinc/78/44/19/310784419.db2.gz OPECVTUWTAXTQC-MJGOQNOKSA-N 2 2 334.529 3.445 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000480776928 310900593 /nfs/dbraw/zinc/90/05/93/310900593.db2.gz SIUPPYIECBSCBR-LJQANCHMSA-N 2 2 348.556 3.195 20 0 EGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000486974447 311005095 /nfs/dbraw/zinc/00/50/95/311005095.db2.gz WZVBVWKTHSRCHF-BEFAXECRSA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000486974447 311005096 /nfs/dbraw/zinc/00/50/96/311005096.db2.gz WZVBVWKTHSRCHF-BEFAXECRSA-N 2 2 336.483 3.407 20 0 EGADLP COc1cccc2c(N3CC[N@@H+]([C@@H]4C[C@H]4C)C[C@H](C)C3)cc[nH+]c12 ZINC000488723202 311076672 /nfs/dbraw/zinc/07/66/72/311076672.db2.gz WLUHDVGQLDQXMQ-IIDMSEBBSA-N 2 2 325.456 3.410 20 0 EGADLP COc1cccc2c(N3CC[N@H+]([C@@H]4C[C@H]4C)C[C@H](C)C3)cc[nH+]c12 ZINC000488723202 311076674 /nfs/dbraw/zinc/07/66/74/311076674.db2.gz WLUHDVGQLDQXMQ-IIDMSEBBSA-N 2 2 325.456 3.410 20 0 EGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490136222 311133875 /nfs/dbraw/zinc/13/38/75/311133875.db2.gz LBGDRYCJOOVXPE-RBBKRZOGSA-N 2 2 338.495 3.439 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000492301628 311235679 /nfs/dbraw/zinc/23/56/79/311235679.db2.gz VXJWXNOZALCPNC-MENFKHAKSA-N 2 2 340.471 3.116 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000492855679 311299310 /nfs/dbraw/zinc/29/93/10/311299310.db2.gz AOXALZMTADSSLW-AUEOTKQJSA-N 2 2 338.455 3.107 20 0 EGADLP CCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000492855679 311299311 /nfs/dbraw/zinc/29/93/11/311299311.db2.gz AOXALZMTADSSLW-AUEOTKQJSA-N 2 2 338.455 3.107 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1)NC(=O)OC(C)(C)C ZINC000494694190 311504255 /nfs/dbraw/zinc/50/42/55/311504255.db2.gz PCILMUXEEFKHCU-LSDHHAIUSA-N 2 2 346.475 3.158 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(NC(=O)OC(C)(C)C)CCCCC2)n1C ZINC000496801139 311767209 /nfs/dbraw/zinc/76/72/09/311767209.db2.gz ZEDYHWVOLMGROK-UHFFFAOYSA-N 2 2 336.480 3.046 20 0 EGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497126401 311821724 /nfs/dbraw/zinc/82/17/24/311821724.db2.gz HHDGVLKVTTUUQC-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[NH+](C)C)cc1 ZINC000500082197 311918031 /nfs/dbraw/zinc/91/80/31/311918031.db2.gz NTZIXPYQBVTLSL-VQIMIIECSA-N 2 2 333.520 3.088 20 0 EGADLP COc1ccccc1CCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000505612712 312028437 /nfs/dbraw/zinc/02/84/37/312028437.db2.gz XBVXKYVUFXVBPQ-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506477213 312050591 /nfs/dbraw/zinc/05/05/91/312050591.db2.gz AILKEHQNGQNPMI-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506477213 312050593 /nfs/dbraw/zinc/05/05/93/312050593.db2.gz AILKEHQNGQNPMI-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506477213 312050594 /nfs/dbraw/zinc/05/05/94/312050594.db2.gz AILKEHQNGQNPMI-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506477213 312050596 /nfs/dbraw/zinc/05/05/96/312050596.db2.gz AILKEHQNGQNPMI-RBUKOAKNSA-N 2 2 337.552 3.221 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690874 312099709 /nfs/dbraw/zinc/09/97/09/312099709.db2.gz LCAVAVSMXHOHOM-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690874 312099710 /nfs/dbraw/zinc/09/97/10/312099710.db2.gz LCAVAVSMXHOHOM-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714048 312100921 /nfs/dbraw/zinc/10/09/21/312100921.db2.gz GUXVYZBBZBOGMO-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714048 312100923 /nfs/dbraw/zinc/10/09/23/312100923.db2.gz GUXVYZBBZBOGMO-CEWLAPEOSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000515074496 312264423 /nfs/dbraw/zinc/26/44/23/312264423.db2.gz PGIBKGLGVWOYTM-ROUUACIJSA-N 2 2 331.504 3.422 20 0 EGADLP C[C@@H]1CC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000515409068 312281383 /nfs/dbraw/zinc/28/13/83/312281383.db2.gz TXRNSQNSHMZGDE-HUUCEWRRSA-N 2 2 328.460 3.038 20 0 EGADLP O=C(CC[NH2+]CCc1cn2c([nH+]1)CCCC2)Nc1cccc(Cl)c1 ZINC000516562926 312329603 /nfs/dbraw/zinc/32/96/03/312329603.db2.gz HGUOZCDDXOVPQU-UHFFFAOYSA-N 2 2 346.862 3.034 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(C3CC3)C3CC3)c2cc1C ZINC000516644682 312335075 /nfs/dbraw/zinc/33/50/75/312335075.db2.gz CHGWVQVAICJIEA-KRWDZBQOSA-N 2 2 327.472 3.040 20 0 EGADLP CN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC([NH3+])C1 ZINC000517935408 312398665 /nfs/dbraw/zinc/39/86/65/312398665.db2.gz UYDKRARHUGSDLQ-UHFFFAOYSA-N 2 2 331.803 3.089 20 0 EGADLP CC(C)[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000528640236 313135350 /nfs/dbraw/zinc/13/53/50/313135350.db2.gz LFJXEMRFOMHUKW-NRFANRHFSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000528640236 313135352 /nfs/dbraw/zinc/13/53/52/313135352.db2.gz LFJXEMRFOMHUKW-NRFANRHFSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000528640236 313135356 /nfs/dbraw/zinc/13/53/56/313135356.db2.gz LFJXEMRFOMHUKW-NRFANRHFSA-N 2 2 340.515 3.195 20 0 EGADLP CC(C)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1Cc1ccccc1 ZINC000528640236 313135360 /nfs/dbraw/zinc/13/53/60/313135360.db2.gz LFJXEMRFOMHUKW-NRFANRHFSA-N 2 2 340.515 3.195 20 0 EGADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218997 313499605 /nfs/dbraw/zinc/49/96/05/313499605.db2.gz YLRVATBTLMLWDG-LSDHHAIUSA-N 2 2 325.378 3.352 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619220 314131016 /nfs/dbraw/zinc/13/10/16/314131016.db2.gz NPECPEWHRMICAT-SJLPKXTDSA-N 2 2 338.455 3.077 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c(C)c[nH+]1 ZINC000536619220 314131019 /nfs/dbraw/zinc/13/10/19/314131019.db2.gz NPECPEWHRMICAT-SJLPKXTDSA-N 2 2 338.455 3.077 20 0 EGADLP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC[NH+]1CCCCC1 ZINC000536732765 314142832 /nfs/dbraw/zinc/14/28/32/314142832.db2.gz LCLFUCGPISWSKE-KRWDZBQOSA-N 2 2 325.884 3.358 20 0 EGADLP CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCn1cc[nH+]c1C ZINC000537895846 314215836 /nfs/dbraw/zinc/21/58/36/314215836.db2.gz BOIUXBQUHHHKHX-QGZVFWFLSA-N 2 2 349.862 3.471 20 0 EGADLP CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCn1cc[nH+]c1C ZINC000537895846 314215838 /nfs/dbraw/zinc/21/58/38/314215838.db2.gz BOIUXBQUHHHKHX-QGZVFWFLSA-N 2 2 349.862 3.471 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000537991458 314222366 /nfs/dbraw/zinc/22/23/66/314222366.db2.gz ORGRJJOBIBEKIB-AHIWAGSCSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000537991458 314222370 /nfs/dbraw/zinc/22/23/70/314222370.db2.gz ORGRJJOBIBEKIB-AHIWAGSCSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000539059647 314293230 /nfs/dbraw/zinc/29/32/30/314293230.db2.gz ORFZETSHHYFXDP-AHIWAGSCSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000539059647 314293232 /nfs/dbraw/zinc/29/32/32/314293232.db2.gz ORFZETSHHYFXDP-AHIWAGSCSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092297 314295948 /nfs/dbraw/zinc/29/59/48/314295948.db2.gz TYLJHNYOAUHLQY-DNVCBOLYSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092297 314295950 /nfs/dbraw/zinc/29/59/50/314295950.db2.gz TYLJHNYOAUHLQY-DNVCBOLYSA-N 2 2 348.918 3.461 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnc2cnccn12 ZINC000539861273 314346586 /nfs/dbraw/zinc/34/65/86/314346586.db2.gz IDMDSBARALJZGE-MRXNPFEDSA-N 2 2 346.438 3.052 20 0 EGADLP Cc1ccc2[nH+]c(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cn2c1 ZINC000548754987 315042946 /nfs/dbraw/zinc/04/29/46/315042946.db2.gz BRLNHOIHKPZNLG-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc2[nH+]c(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cn2c1 ZINC000548754987 315042950 /nfs/dbraw/zinc/04/29/50/315042950.db2.gz BRLNHOIHKPZNLG-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+](CC)Cc1ccccc1Cl ZINC000550233396 315121079 /nfs/dbraw/zinc/12/10/79/315121079.db2.gz FWYBKPHNNMUFFW-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+](CC)Cc1ccccc1Cl ZINC000550233396 315121081 /nfs/dbraw/zinc/12/10/81/315121081.db2.gz FWYBKPHNNMUFFW-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[C@H](C)[NH+](C)CCNC(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000550233396 315121082 /nfs/dbraw/zinc/12/10/82/315121082.db2.gz FWYBKPHNNMUFFW-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP CC[C@H](C)[NH+](C)CCNC(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000550233396 315121084 /nfs/dbraw/zinc/12/10/84/315121084.db2.gz FWYBKPHNNMUFFW-HNNXBMFYSA-N 2 2 339.911 3.008 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3n2CCCC3)CC1 ZINC000551814480 315170714 /nfs/dbraw/zinc/17/07/14/315170714.db2.gz QJAJIIYLXWFGRM-APWZRJJASA-N 2 2 330.520 3.352 20 0 EGADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2c[nH+]c3n2CCCC3)CC1 ZINC000551814480 315170716 /nfs/dbraw/zinc/17/07/16/315170716.db2.gz QJAJIIYLXWFGRM-APWZRJJASA-N 2 2 330.520 3.352 20 0 EGADLP CCC[N@H+](C)[C@H](C[NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090245 315196484 /nfs/dbraw/zinc/19/64/84/315196484.db2.gz FLSOXVPMPHLOKQ-WMLDXEAASA-N 2 2 339.911 3.179 20 0 EGADLP CCC[N@@H+](C)[C@H](C[NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090245 315196485 /nfs/dbraw/zinc/19/64/85/315196485.db2.gz FLSOXVPMPHLOKQ-WMLDXEAASA-N 2 2 339.911 3.179 20 0 EGADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000553095421 315244724 /nfs/dbraw/zinc/24/47/24/315244724.db2.gz VQFGJYLHSVHOOD-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000553095421 315244729 /nfs/dbraw/zinc/24/47/29/315244729.db2.gz VQFGJYLHSVHOOD-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP CC[C@H]1CC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000554385369 315314841 /nfs/dbraw/zinc/31/48/41/315314841.db2.gz ZWHAQNMHPKGZLL-HOCLYGCPSA-N 2 2 328.460 3.038 20 0 EGADLP CC(C)C1CCC(C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000554855761 315352955 /nfs/dbraw/zinc/35/29/55/315352955.db2.gz YAALOBXUGWXONM-HAMDTZRPSA-N 2 2 335.580 3.407 20 0 EGADLP CC(C)C1CCC(C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000554855761 315352957 /nfs/dbraw/zinc/35/29/57/315352957.db2.gz YAALOBXUGWXONM-HAMDTZRPSA-N 2 2 335.580 3.407 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357268 316005305 /nfs/dbraw/zinc/00/53/05/316005305.db2.gz RZSDQQJMANHJEC-HXUWFJFHSA-N 2 2 330.447 3.141 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357268 316005308 /nfs/dbraw/zinc/00/53/08/316005308.db2.gz RZSDQQJMANHJEC-HXUWFJFHSA-N 2 2 330.447 3.141 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357268 316005313 /nfs/dbraw/zinc/00/53/13/316005313.db2.gz RZSDQQJMANHJEC-HXUWFJFHSA-N 2 2 330.447 3.141 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000563357268 316005316 /nfs/dbraw/zinc/00/53/16/316005316.db2.gz RZSDQQJMANHJEC-HXUWFJFHSA-N 2 2 330.447 3.141 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)ccn12 ZINC000563369817 316008790 /nfs/dbraw/zinc/00/87/90/316008790.db2.gz QNODRRZVTARBLZ-IBGZPJMESA-N 2 2 348.450 3.210 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)CC1 ZINC000563890619 316087198 /nfs/dbraw/zinc/08/71/98/316087198.db2.gz STXHLVSYLRHXPP-IBGZPJMESA-N 2 2 347.547 3.142 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)CC1 ZINC000563890619 316087203 /nfs/dbraw/zinc/08/72/03/316087203.db2.gz STXHLVSYLRHXPP-IBGZPJMESA-N 2 2 347.547 3.142 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008870 316101626 /nfs/dbraw/zinc/10/16/26/316101626.db2.gz RJCVJHABGHOLLW-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008870 316101629 /nfs/dbraw/zinc/10/16/29/316101629.db2.gz RJCVJHABGHOLLW-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008870 316101631 /nfs/dbraw/zinc/10/16/31/316101631.db2.gz RJCVJHABGHOLLW-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000564008870 316101634 /nfs/dbraw/zinc/10/16/34/316101634.db2.gz RJCVJHABGHOLLW-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP C[C@@H](CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)n1cc[nH+]c1 ZINC000564573749 316169368 /nfs/dbraw/zinc/16/93/68/316169368.db2.gz AVMBEUMDNYGODM-KRWDZBQOSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H](CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)n1cc[nH+]c1 ZINC000564573749 316169370 /nfs/dbraw/zinc/16/93/70/316169370.db2.gz AVMBEUMDNYGODM-KRWDZBQOSA-N 2 2 340.471 3.005 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000564732977 316197023 /nfs/dbraw/zinc/19/70/23/316197023.db2.gz XDPDXQNXCGDWCB-UHFFFAOYSA-N 2 2 328.500 3.281 20 0 EGADLP O=C(CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)Nc1ccc(Cl)cc1 ZINC000564863170 316221360 /nfs/dbraw/zinc/22/13/60/316221360.db2.gz FQCSJZSORLUWBJ-KRWDZBQOSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccc(Cl)cc1 ZINC000564863170 316221365 /nfs/dbraw/zinc/22/13/65/316221365.db2.gz FQCSJZSORLUWBJ-KRWDZBQOSA-N 2 2 335.879 3.275 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C(C)(C)COc2ncc(Cl)cc2Cl)n1C ZINC000565237179 316297451 /nfs/dbraw/zinc/29/74/51/316297451.db2.gz GAJVCQACHKQPFV-UHFFFAOYSA-N 2 2 343.258 3.378 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000565370150 316315885 /nfs/dbraw/zinc/31/58/85/316315885.db2.gz IKTIEYLJOLDRLO-INIZCTEOSA-N 2 2 346.906 3.385 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1)CC(C)C ZINC000565373040 316316554 /nfs/dbraw/zinc/31/65/54/316316554.db2.gz NSMZJHQMXDHDNF-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1)CC(C)C ZINC000565373040 316316557 /nfs/dbraw/zinc/31/65/57/316316557.db2.gz NSMZJHQMXDHDNF-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000565373040 316316559 /nfs/dbraw/zinc/31/65/59/316316559.db2.gz NSMZJHQMXDHDNF-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1)CC(C)C ZINC000565373040 316316561 /nfs/dbraw/zinc/31/65/61/316316561.db2.gz NSMZJHQMXDHDNF-KRWDZBQOSA-N 2 2 348.535 3.195 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000565658114 316352448 /nfs/dbraw/zinc/35/24/48/316352448.db2.gz IQDZHBWAABMWRP-WOJBJXKFSA-N 2 2 342.462 3.426 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000565658114 316352450 /nfs/dbraw/zinc/35/24/50/316352450.db2.gz IQDZHBWAABMWRP-WOJBJXKFSA-N 2 2 342.462 3.426 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)Cc1ccc(C(F)(F)F)cc1 ZINC000568078293 316721348 /nfs/dbraw/zinc/72/13/48/316721348.db2.gz MIYNJQDSDLTFMO-MRXNPFEDSA-N 2 2 349.356 3.046 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000570419890 317053873 /nfs/dbraw/zinc/05/38/73/317053873.db2.gz OKUMVHICZSHHCI-BJLQDIEVSA-N 2 2 345.531 3.039 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000570419890 317053874 /nfs/dbraw/zinc/05/38/74/317053874.db2.gz OKUMVHICZSHHCI-BJLQDIEVSA-N 2 2 345.531 3.039 20 0 EGADLP COc1cccc2c(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)cc[nH+]c12 ZINC000571981654 317274021 /nfs/dbraw/zinc/27/40/21/317274021.db2.gz CRQOKBIDYLEOON-ZWKOTPCHSA-N 2 2 341.455 3.299 20 0 EGADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000572178800 317301914 /nfs/dbraw/zinc/30/19/14/317301914.db2.gz CCDDMXKTKZFOCA-LJQANCHMSA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000572178800 317301918 /nfs/dbraw/zinc/30/19/18/317301918.db2.gz CCDDMXKTKZFOCA-LJQANCHMSA-N 2 2 332.488 3.161 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1COc3ccccc3C1)C2 ZINC000572623279 317366685 /nfs/dbraw/zinc/36/66/85/317366685.db2.gz VAIWUSQODSHTIR-JKSUJKDBSA-N 2 2 325.456 3.089 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)CCC2 ZINC000573180134 317447139 /nfs/dbraw/zinc/44/71/39/317447139.db2.gz JYTOIACZIUYGKE-HNNXBMFYSA-N 2 2 327.432 3.211 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000174510146 323307568 /nfs/dbraw/zinc/30/75/68/323307568.db2.gz PABZPPRMLUYVPZ-QZTJIDSGSA-N 2 2 329.419 3.449 20 0 EGADLP CSc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000179477357 323390076 /nfs/dbraw/zinc/39/00/76/323390076.db2.gz VJATXXFFTBWJNC-PBHICJAKSA-N 2 2 344.484 3.127 20 0 EGADLP CSc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000179477357 323390079 /nfs/dbraw/zinc/39/00/79/323390079.db2.gz VJATXXFFTBWJNC-PBHICJAKSA-N 2 2 344.484 3.127 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000396327981 324293740 /nfs/dbraw/zinc/29/37/40/324293740.db2.gz WBEVVBCWJUBPIK-AQFXKWCLSA-N 2 2 342.405 3.087 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000396327981 324293744 /nfs/dbraw/zinc/29/37/44/324293744.db2.gz WBEVVBCWJUBPIK-AQFXKWCLSA-N 2 2 342.405 3.087 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)n1C ZINC000580066554 325198174 /nfs/dbraw/zinc/19/81/74/325198174.db2.gz WBHGQOYINPRISY-KRWDZBQOSA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)n1C ZINC000580066554 325198177 /nfs/dbraw/zinc/19/81/77/325198177.db2.gz WBHGQOYINPRISY-KRWDZBQOSA-N 2 2 330.451 3.222 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c(Br)c1 ZINC000580550470 325266470 /nfs/dbraw/zinc/26/64/70/325266470.db2.gz HKJBDWWSKCWBAO-GFCCVEGCSA-N 2 2 329.282 3.496 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000581079698 325328126 /nfs/dbraw/zinc/32/81/26/325328126.db2.gz FRPXWBJJHQPOOO-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000581079698 325328127 /nfs/dbraw/zinc/32/81/27/325328127.db2.gz FRPXWBJJHQPOOO-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP Oc1cccnc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851535 325392950 /nfs/dbraw/zinc/39/29/50/325392950.db2.gz QXZFDOQCFVLWCR-QUCCMNQESA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851535 325392952 /nfs/dbraw/zinc/39/29/52/325392952.db2.gz QXZFDOQCFVLWCR-QUCCMNQESA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581851535 325392953 /nfs/dbraw/zinc/39/29/53/325392953.db2.gz QXZFDOQCFVLWCR-QUCCMNQESA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581851535 325392955 /nfs/dbraw/zinc/39/29/55/325392955.db2.gz QXZFDOQCFVLWCR-QUCCMNQESA-N 2 2 337.467 3.274 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356866143 457186538 /nfs/dbraw/zinc/18/65/38/457186538.db2.gz LVKCSRNGKQCDTO-GFCCVEGCSA-N 2 2 338.414 3.113 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000180661428 455221263 /nfs/dbraw/zinc/22/12/63/455221263.db2.gz FGUNDLANQVVXEH-IAGOWNOFSA-N 2 2 348.450 3.400 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000180751639 455238505 /nfs/dbraw/zinc/23/85/05/455238505.db2.gz FPOCUZMLJOEQLG-ZBFHGGJFSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000180751639 455238507 /nfs/dbraw/zinc/23/85/07/455238507.db2.gz FPOCUZMLJOEQLG-ZBFHGGJFSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000180751639 455238509 /nfs/dbraw/zinc/23/85/09/455238509.db2.gz FPOCUZMLJOEQLG-ZBFHGGJFSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2cccs2)n1 ZINC000180751639 455238513 /nfs/dbraw/zinc/23/85/13/455238513.db2.gz FPOCUZMLJOEQLG-ZBFHGGJFSA-N 2 2 330.501 3.065 20 0 EGADLP [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237969890 455239382 /nfs/dbraw/zinc/23/93/82/455239382.db2.gz KTJUGTKTILGVQC-ZDUSSCGKSA-N 2 2 331.803 3.091 20 0 EGADLP O=C(NCCCCCCC[NH+]1CCCC1)c1ccc2[nH+]ccn2c1 ZINC000264577683 455241093 /nfs/dbraw/zinc/24/10/93/455241093.db2.gz IECGTXSJHMMCNU-UHFFFAOYSA-N 2 2 328.460 3.110 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268852 455265111 /nfs/dbraw/zinc/26/51/11/455265111.db2.gz ABDZFGZTFPQPTM-ICSRJNTNSA-N 2 2 338.499 3.025 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000183268852 455265115 /nfs/dbraw/zinc/26/51/15/455265115.db2.gz ABDZFGZTFPQPTM-ICSRJNTNSA-N 2 2 338.499 3.025 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575266 455334298 /nfs/dbraw/zinc/33/42/98/455334298.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 3 2 341.543 3.457 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575266 455334300 /nfs/dbraw/zinc/33/43/00/455334300.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575266 455334302 /nfs/dbraw/zinc/33/43/02/455334302.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 3 2 341.543 3.457 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245575266 455334304 /nfs/dbraw/zinc/33/43/04/455334304.db2.gz HPSHPEBCRNMBCB-BDTNDASRSA-N 3 2 341.543 3.457 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000265529796 455339204 /nfs/dbraw/zinc/33/92/04/455339204.db2.gz MISIGZFMDHDSTQ-UHFFFAOYSA-N 2 2 341.459 3.085 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245679352 455353728 /nfs/dbraw/zinc/35/37/28/455353728.db2.gz OWTFSYKTVVYMNX-IEZWGBDMSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245679352 455353729 /nfs/dbraw/zinc/35/37/29/455353729.db2.gz OWTFSYKTVVYMNX-IEZWGBDMSA-N 2 2 340.471 3.410 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)cc2)c[nH+]1 ZINC000030654243 453837356 /nfs/dbraw/zinc/83/73/56/453837356.db2.gz BDXDEWVRYNKMHF-UHFFFAOYSA-N 2 2 329.407 3.348 20 0 EGADLP Cc1cc(C[NH2+]CCn2cc[nH+]c2)cc(C)c1OCc1ccccn1 ZINC000075734058 453923046 /nfs/dbraw/zinc/92/30/46/453923046.db2.gz DXYZYIAZUHDSFI-UHFFFAOYSA-N 2 2 336.439 3.264 20 0 EGADLP Cc1cccn2cc(CN3CC[NH+](CCc4cccs4)CC3)[nH+]c12 ZINC000067458773 453933022 /nfs/dbraw/zinc/93/30/22/453933022.db2.gz DRZWGVPJXFRWDQ-UHFFFAOYSA-N 2 2 340.496 3.065 20 0 EGADLP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)Cn1cc[nH+]c1 ZINC000067500660 453936029 /nfs/dbraw/zinc/93/60/29/453936029.db2.gz WHQVAEGZJNETDW-CYBMUJFWSA-N 2 2 329.835 3.353 20 0 EGADLP Cc1occc1C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000055055241 453959655 /nfs/dbraw/zinc/95/96/55/453959655.db2.gz YDHAFYHIMZIFAG-QGZVFWFLSA-N 2 2 327.428 3.047 20 0 EGADLP Cc1occc1C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000055055241 453959656 /nfs/dbraw/zinc/95/96/56/453959656.db2.gz YDHAFYHIMZIFAG-QGZVFWFLSA-N 2 2 327.428 3.047 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)c2cccs2)n1-c1ccccc1 ZINC000084046001 453966291 /nfs/dbraw/zinc/96/62/91/453966291.db2.gz KQQYAUIMQQWZNO-GOSISDBHSA-N 2 2 327.453 3.240 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000085688049 454036728 /nfs/dbraw/zinc/03/67/28/454036728.db2.gz DEBPRLCFKYGXKL-IIBYNOLFSA-N 2 2 348.450 3.331 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000085688049 454036729 /nfs/dbraw/zinc/03/67/29/454036729.db2.gz DEBPRLCFKYGXKL-IIBYNOLFSA-N 2 2 348.450 3.331 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000085797574 454039604 /nfs/dbraw/zinc/03/96/04/454039604.db2.gz LWLQXXBFQQCGDJ-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000085797574 454039607 /nfs/dbraw/zinc/03/96/07/454039607.db2.gz LWLQXXBFQQCGDJ-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP CC(C)Oc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000069173098 454084516 /nfs/dbraw/zinc/08/45/16/454084516.db2.gz RNBXJZVSQWVTBM-QGZVFWFLSA-N 2 2 332.488 3.159 20 0 EGADLP CC(C)Oc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000069173098 454084519 /nfs/dbraw/zinc/08/45/19/454084519.db2.gz RNBXJZVSQWVTBM-QGZVFWFLSA-N 2 2 332.488 3.159 20 0 EGADLP Cc1nc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)sc1C ZINC000088603678 454114807 /nfs/dbraw/zinc/11/48/07/454114807.db2.gz SWJUZSMZGCBRMZ-UHFFFAOYSA-N 2 2 344.528 3.294 20 0 EGADLP Cc1nc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)sc1C ZINC000088603678 454114811 /nfs/dbraw/zinc/11/48/11/454114811.db2.gz SWJUZSMZGCBRMZ-UHFFFAOYSA-N 2 2 344.528 3.294 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1ccc(Br)cn1)Cc1ccccc1 ZINC000070395544 454168721 /nfs/dbraw/zinc/16/87/21/454168721.db2.gz USUHJSBRZCHAAW-UHFFFAOYSA-N 2 2 348.288 3.456 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1ccc(Br)cn1)Cc1ccccc1 ZINC000070395544 454168726 /nfs/dbraw/zinc/16/87/26/454168726.db2.gz USUHJSBRZCHAAW-UHFFFAOYSA-N 2 2 348.288 3.456 20 0 EGADLP CSC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000095968286 454243204 /nfs/dbraw/zinc/24/32/04/454243204.db2.gz DNNIHBNCLMLTQQ-KRWDZBQOSA-N 2 2 342.936 3.008 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)ccc1SC ZINC000090047980 454267039 /nfs/dbraw/zinc/26/70/39/454267039.db2.gz AOGMKJMKTGXALZ-CABCVRRESA-N 2 2 338.517 3.179 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759258 454337042 /nfs/dbraw/zinc/33/70/42/454337042.db2.gz YNAUOTCTPWWLPL-IRXDYDNUSA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072759258 454337049 /nfs/dbraw/zinc/33/70/49/454337049.db2.gz YNAUOTCTPWWLPL-IRXDYDNUSA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072759258 454337054 /nfs/dbraw/zinc/33/70/54/454337054.db2.gz YNAUOTCTPWWLPL-IRXDYDNUSA-N 2 2 347.503 3.137 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072759258 454337058 /nfs/dbraw/zinc/33/70/58/454337058.db2.gz YNAUOTCTPWWLPL-IRXDYDNUSA-N 2 2 347.503 3.137 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000090852423 454346453 /nfs/dbraw/zinc/34/64/53/454346453.db2.gz REZBIACXLPJZFN-HKUYNNGSSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000090852423 454346457 /nfs/dbraw/zinc/34/64/57/454346457.db2.gz REZBIACXLPJZFN-HKUYNNGSSA-N 2 2 338.499 3.290 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000090936713 454352122 /nfs/dbraw/zinc/35/21/22/454352122.db2.gz LBQXPOKGCNPJAG-JLSDUUJJSA-N 2 2 340.870 3.487 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000090936713 454352128 /nfs/dbraw/zinc/35/21/28/454352128.db2.gz LBQXPOKGCNPJAG-JLSDUUJJSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133102102 454392609 /nfs/dbraw/zinc/39/26/09/454392609.db2.gz SBQYMYXLYIDBSF-UZLBHIALSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000133102102 454392614 /nfs/dbraw/zinc/39/26/14/454392614.db2.gz SBQYMYXLYIDBSF-UZLBHIALSA-N 2 2 343.446 3.100 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336987 454429212 /nfs/dbraw/zinc/42/92/12/454429212.db2.gz UOSZMVDPJRSKOW-SJORKVTESA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336987 454429214 /nfs/dbraw/zinc/42/92/14/454429214.db2.gz UOSZMVDPJRSKOW-SJORKVTESA-N 2 2 343.437 3.238 20 0 EGADLP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000133640270 454449618 /nfs/dbraw/zinc/44/96/18/454449618.db2.gz YGLHHSUFKJHANG-CQSZACIVSA-N 2 2 345.830 3.351 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H]3C3CCC3)c2cc1C ZINC000102927947 454527658 /nfs/dbraw/zinc/52/76/58/454527658.db2.gz UBPYAJGIYYUPEU-PKOBYXMFSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H]3C3CCC3)c2cc1C ZINC000102927947 454527659 /nfs/dbraw/zinc/52/76/59/454527659.db2.gz UBPYAJGIYYUPEU-PKOBYXMFSA-N 2 2 327.472 3.279 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000092410778 454562839 /nfs/dbraw/zinc/56/28/39/454562839.db2.gz PMWKUDRUAJKBRR-VQIMIIECSA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000092410778 454562844 /nfs/dbraw/zinc/56/28/44/454562844.db2.gz PMWKUDRUAJKBRR-VQIMIIECSA-N 2 2 326.488 3.125 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@@H](C)[C@@H]1OC ZINC000092768563 454629539 /nfs/dbraw/zinc/62/95/39/454629539.db2.gz GVADZLIUHPBHPT-AHRSYUTCSA-N 2 2 345.531 3.475 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000080960540 454657937 /nfs/dbraw/zinc/65/79/37/454657937.db2.gz XHEDLCBWZFLASP-NSHDSACASA-N 2 2 336.798 3.020 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(F)c(Cl)c1 ZINC000080960540 454657943 /nfs/dbraw/zinc/65/79/43/454657943.db2.gz XHEDLCBWZFLASP-NSHDSACASA-N 2 2 336.798 3.020 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959893 454658271 /nfs/dbraw/zinc/65/82/71/454658271.db2.gz CJIBWSPWATYBML-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959893 454658275 /nfs/dbraw/zinc/65/82/75/454658275.db2.gz CJIBWSPWATYBML-CYBMUJFWSA-N 2 2 332.835 3.190 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000080974399 454663005 /nfs/dbraw/zinc/66/30/05/454663005.db2.gz OPLYCEFQQMDQKA-KBPBESRZSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000080974399 454663009 /nfs/dbraw/zinc/66/30/09/454663009.db2.gz OPLYCEFQQMDQKA-KBPBESRZSA-N 2 2 346.862 3.120 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000135588175 454691910 /nfs/dbraw/zinc/69/19/10/454691910.db2.gz UDGXQSVQZUSCRY-KRWDZBQOSA-N 2 2 334.435 3.063 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000135588175 454691913 /nfs/dbraw/zinc/69/19/13/454691913.db2.gz UDGXQSVQZUSCRY-KRWDZBQOSA-N 2 2 334.435 3.063 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(Cl)c1OC ZINC000106367219 454692704 /nfs/dbraw/zinc/69/27/04/454692704.db2.gz ILFSZNPTUFNCEU-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000124371511 454725343 /nfs/dbraw/zinc/72/53/43/454725343.db2.gz VJRHAAFRFYMKSY-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000124371511 454725347 /nfs/dbraw/zinc/72/53/47/454725347.db2.gz VJRHAAFRFYMKSY-UHFFFAOYSA-N 2 2 331.807 3.109 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868593 454726090 /nfs/dbraw/zinc/72/60/90/454726090.db2.gz LRICBRIGRCVAOB-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868593 454726092 /nfs/dbraw/zinc/72/60/92/454726092.db2.gz LRICBRIGRCVAOB-ZIAGYGMSSA-N 2 2 327.241 3.305 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093693094 454729841 /nfs/dbraw/zinc/72/98/41/454729841.db2.gz FSSKOSZCYHYPBU-INIZCTEOSA-N 2 2 327.472 3.407 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093693094 454729846 /nfs/dbraw/zinc/72/98/46/454729846.db2.gz FSSKOSZCYHYPBU-INIZCTEOSA-N 2 2 327.472 3.407 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000136304750 454735039 /nfs/dbraw/zinc/73/50/39/454735039.db2.gz KMRLZVNZBPTUGF-LBPRGKRZSA-N 2 2 331.445 3.386 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000136304750 454735046 /nfs/dbraw/zinc/73/50/46/454735046.db2.gz KMRLZVNZBPTUGF-LBPRGKRZSA-N 2 2 331.445 3.386 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866033 454741742 /nfs/dbraw/zinc/74/17/42/454741742.db2.gz NJLWPFZIXBDCPL-GOSISDBHSA-N 2 2 338.386 3.264 20 0 EGADLP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866033 454741749 /nfs/dbraw/zinc/74/17/49/454741749.db2.gz NJLWPFZIXBDCPL-GOSISDBHSA-N 2 2 338.386 3.264 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494926 454751893 /nfs/dbraw/zinc/75/18/93/454751893.db2.gz BWIYZXTYWKCMNP-UWVAXJGDSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494926 454751895 /nfs/dbraw/zinc/75/18/95/454751895.db2.gz BWIYZXTYWKCMNP-UWVAXJGDSA-N 3 2 326.488 3.253 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000107368943 454753347 /nfs/dbraw/zinc/75/33/47/454753347.db2.gz ULYOHQSADLQDSF-INIZCTEOSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000107368943 454753350 /nfs/dbraw/zinc/75/33/50/454753350.db2.gz ULYOHQSADLQDSF-INIZCTEOSA-N 2 2 342.314 3.205 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153211072 454771497 /nfs/dbraw/zinc/77/14/97/454771497.db2.gz IXHMECCZZAJABC-CZUORRHYSA-N 2 2 340.920 3.435 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000162684101 454793557 /nfs/dbraw/zinc/79/35/57/454793557.db2.gz XXQUKNDFXPXPTA-NVXWUHKLSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000162684101 454793562 /nfs/dbraw/zinc/79/35/62/454793562.db2.gz XXQUKNDFXPXPTA-NVXWUHKLSA-N 2 2 341.455 3.455 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000163151984 454827057 /nfs/dbraw/zinc/82/70/57/454827057.db2.gz GJZOLFPAPHOHIJ-UHFFFAOYSA-N 2 2 341.293 3.420 20 0 EGADLP COc1ccc(CCC[N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177263978 454844399 /nfs/dbraw/zinc/84/43/99/454844399.db2.gz ZQEDAGKWMAACNX-UHFFFAOYSA-N 2 2 336.439 3.341 20 0 EGADLP COc1ccc(CCC[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000177263978 454844404 /nfs/dbraw/zinc/84/44/04/454844404.db2.gz ZQEDAGKWMAACNX-UHFFFAOYSA-N 2 2 336.439 3.341 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000154269999 454880034 /nfs/dbraw/zinc/88/00/34/454880034.db2.gz WRXKMJJIOVBWNF-OCCSQVGLSA-N 2 2 345.830 3.479 20 0 EGADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154287690 454881954 /nfs/dbraw/zinc/88/19/54/454881954.db2.gz BBENSMYEUCUIIW-XLIONFOSSA-N 2 2 342.483 3.147 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150754775 454886951 /nfs/dbraw/zinc/88/69/51/454886951.db2.gz USVCRFKOGNUHFV-HZPDHXFCSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150754775 454886953 /nfs/dbraw/zinc/88/69/53/454886953.db2.gz USVCRFKOGNUHFV-HZPDHXFCSA-N 2 2 349.906 3.393 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126663975 454909654 /nfs/dbraw/zinc/90/96/54/454909654.db2.gz FITPQWPMSXVACL-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126663975 454909658 /nfs/dbraw/zinc/90/96/58/454909658.db2.gz FITPQWPMSXVACL-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000154745348 454926015 /nfs/dbraw/zinc/92/60/15/454926015.db2.gz PMMDEXRHUZGZLR-LJQANCHMSA-N 2 2 337.552 3.076 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000154745348 454926016 /nfs/dbraw/zinc/92/60/16/454926016.db2.gz PMMDEXRHUZGZLR-LJQANCHMSA-N 2 2 337.552 3.076 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000178309228 454947924 /nfs/dbraw/zinc/94/79/24/454947924.db2.gz WVDNZFCLMOIODI-HNNXBMFYSA-N 2 2 339.277 3.348 20 0 EGADLP C[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480967 454956244 /nfs/dbraw/zinc/95/62/44/454956244.db2.gz GOURTEKDAIRVJW-OAQYLSRUSA-N 2 2 342.458 3.456 20 0 EGADLP C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480967 454956246 /nfs/dbraw/zinc/95/62/46/454956246.db2.gz GOURTEKDAIRVJW-OAQYLSRUSA-N 2 2 342.458 3.456 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)C[NH+]1CCCCC1 ZINC000151346796 454971895 /nfs/dbraw/zinc/97/18/95/454971895.db2.gz GWPOACDVLYPEJW-MLGOLLRUSA-N 2 2 343.298 3.417 20 0 EGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1C ZINC000115546160 455020328 /nfs/dbraw/zinc/02/03/28/455020328.db2.gz WPMMSYRFBPIOKS-UHFFFAOYSA-N 2 2 346.515 3.093 20 0 EGADLP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1C ZINC000115546160 455020332 /nfs/dbraw/zinc/02/03/32/455020332.db2.gz WPMMSYRFBPIOKS-UHFFFAOYSA-N 2 2 346.515 3.093 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000151802161 455032367 /nfs/dbraw/zinc/03/23/67/455032367.db2.gz ZNYOPLONPFBLSU-NHCUHLMSSA-N 2 2 342.458 3.286 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000128429705 455054762 /nfs/dbraw/zinc/05/47/62/455054762.db2.gz JIYQQHBGDODQSI-ZDUSSCGKSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000128429705 455054766 /nfs/dbraw/zinc/05/47/66/455054766.db2.gz JIYQQHBGDODQSI-ZDUSSCGKSA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cc(F)ccc1F ZINC000116396257 455054943 /nfs/dbraw/zinc/05/49/43/455054943.db2.gz WDBWUOMSKGRLQE-MLGOLLRUSA-N 2 2 341.446 3.248 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(-n2cncn2)cc1 ZINC000152267970 455094848 /nfs/dbraw/zinc/09/48/48/455094848.db2.gz NZNQWQRMSDGRQC-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP c1[nH]cc(CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)[nH+]1 ZINC000179905834 455096706 /nfs/dbraw/zinc/09/67/06/455096706.db2.gz LGNCQRXTFFIXQT-UHFFFAOYSA-N 2 2 330.435 3.297 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180014089 455116286 /nfs/dbraw/zinc/11/62/86/455116286.db2.gz XXCWETNOHZQGRW-HXUWFJFHSA-N 2 2 344.478 3.360 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000156600507 455136807 /nfs/dbraw/zinc/13/68/07/455136807.db2.gz JPQQKWMZSDAJIK-FXAWDEMLSA-N 2 2 327.472 3.442 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000156600507 455136808 /nfs/dbraw/zinc/13/68/08/455136808.db2.gz JPQQKWMZSDAJIK-FXAWDEMLSA-N 2 2 327.472 3.442 20 0 EGADLP Cc1cncc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000180175288 455145053 /nfs/dbraw/zinc/14/50/53/455145053.db2.gz HTTYFQHHXWTMTE-UHFFFAOYSA-N 2 2 344.890 3.085 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623657738 460665732 /nfs/dbraw/zinc/66/57/32/460665732.db2.gz XTZOOYRCUZWREJ-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623657738 460665733 /nfs/dbraw/zinc/66/57/33/460665733.db2.gz XTZOOYRCUZWREJ-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189386516 455188063 /nfs/dbraw/zinc/18/80/63/455188063.db2.gz HUHBOAQQTDMLBQ-QZTJIDSGSA-N 2 2 340.870 3.337 20 0 EGADLP CCN(C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1)CC(F)(F)F ZINC000180551395 455195198 /nfs/dbraw/zinc/19/51/98/455195198.db2.gz PEHLCAWRZKBIEB-CQSZACIVSA-N 2 2 340.393 3.040 20 0 EGADLP CCN(C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1)CC(F)(F)F ZINC000180551395 455195203 /nfs/dbraw/zinc/19/52/03/455195203.db2.gz PEHLCAWRZKBIEB-CQSZACIVSA-N 2 2 340.393 3.040 20 0 EGADLP COc1cccc2c(N3CCC(OCCC[NH+](C)C)CC3)cc[nH+]c12 ZINC000189470204 455201791 /nfs/dbraw/zinc/20/17/91/455201791.db2.gz YBWUNCRFODESFL-UHFFFAOYSA-N 2 2 343.471 3.181 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000157508004 455202043 /nfs/dbraw/zinc/20/20/43/455202043.db2.gz UGDHNHDDVSCPPR-UHFFFAOYSA-N 2 2 348.878 3.349 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000157508004 455202046 /nfs/dbraw/zinc/20/20/46/455202046.db2.gz UGDHNHDDVSCPPR-UHFFFAOYSA-N 2 2 348.878 3.349 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413891 455292012 /nfs/dbraw/zinc/29/20/12/455292012.db2.gz BWEUVVDSXJMGCH-RTBURBONSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413891 455292014 /nfs/dbraw/zinc/29/20/14/455292014.db2.gz BWEUVVDSXJMGCH-RTBURBONSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413891 455292016 /nfs/dbraw/zinc/29/20/16/455292016.db2.gz BWEUVVDSXJMGCH-RTBURBONSA-N 2 2 345.531 3.006 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245413891 455292017 /nfs/dbraw/zinc/29/20/17/455292017.db2.gz BWEUVVDSXJMGCH-RTBURBONSA-N 2 2 345.531 3.006 20 0 EGADLP CCc1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000182986525 455204380 /nfs/dbraw/zinc/20/43/80/455204380.db2.gz QSMUVHNBZWPFEU-UHFFFAOYSA-N 2 2 337.533 3.030 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000157537689 455205305 /nfs/dbraw/zinc/20/53/05/455205305.db2.gz YFBNIQZTEGQAPW-XLIONFOSSA-N 2 2 326.488 3.088 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000157537689 455205308 /nfs/dbraw/zinc/20/53/08/455205308.db2.gz YFBNIQZTEGQAPW-XLIONFOSSA-N 2 2 326.488 3.088 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)o2)cc1 ZINC000237718978 455211646 /nfs/dbraw/zinc/21/16/46/455211646.db2.gz LBUXPIBPWDISHG-UHFFFAOYSA-N 2 2 328.456 3.191 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H](c2ccco2)[NH+](C)C)c1C ZINC000264458499 455217358 /nfs/dbraw/zinc/21/73/58/455217358.db2.gz XLNVIUXGXWYKBO-INIZCTEOSA-N 2 2 337.427 3.463 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000245463131 455307241 /nfs/dbraw/zinc/30/72/41/455307241.db2.gz XFGGZHHQDUHUKG-SJORKVTESA-N 2 2 347.503 3.076 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000245463131 455307246 /nfs/dbraw/zinc/30/72/46/455307246.db2.gz XFGGZHHQDUHUKG-SJORKVTESA-N 2 2 347.503 3.076 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000173615209 455316543 /nfs/dbraw/zinc/31/65/43/455316543.db2.gz YKRRLLSAVZMVQA-GFCCVEGCSA-N 2 2 341.858 3.269 20 0 EGADLP COc1cc[nH+]c(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1OC ZINC000190492537 455331595 /nfs/dbraw/zinc/33/15/95/455331595.db2.gz MPPZRGSBDMDMFA-KRWDZBQOSA-N 2 2 347.503 3.043 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+]Cc4cc[nH]n4)cc3)[nH+]c12 ZINC000174365805 455383446 /nfs/dbraw/zinc/38/34/46/455383446.db2.gz WQODFXYJMLAGGT-UHFFFAOYSA-N 2 2 347.422 3.235 20 0 EGADLP OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828961 455388864 /nfs/dbraw/zinc/38/88/64/455388864.db2.gz ZVLTUJQPWFQIKS-DENIHFKCSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828961 455388866 /nfs/dbraw/zinc/38/88/66/455388866.db2.gz ZVLTUJQPWFQIKS-DENIHFKCSA-N 2 2 349.478 3.141 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000245948264 455405095 /nfs/dbraw/zinc/40/50/95/455405095.db2.gz KWBFVLLPONNTRP-OXJNMPFZSA-N 2 2 344.478 3.359 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000245948264 455405099 /nfs/dbraw/zinc/40/50/99/455405099.db2.gz KWBFVLLPONNTRP-OXJNMPFZSA-N 2 2 344.478 3.359 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245956006 455407464 /nfs/dbraw/zinc/40/74/64/455407464.db2.gz XINQJGLPYWSXBR-HUYLIWGRSA-N 2 2 343.515 3.400 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ncc(Cl)n1C ZINC000184749765 455441639 /nfs/dbraw/zinc/44/16/39/455441639.db2.gz RLBSUIPCYDUSCM-HUUCEWRRSA-N 2 2 346.906 3.320 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289973 455464913 /nfs/dbraw/zinc/46/49/13/455464913.db2.gz XRYIHIUPTJLBJY-VQIMIIECSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289973 455464920 /nfs/dbraw/zinc/46/49/20/455464920.db2.gz XRYIHIUPTJLBJY-VQIMIIECSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289973 455464926 /nfs/dbraw/zinc/46/49/26/455464926.db2.gz XRYIHIUPTJLBJY-VQIMIIECSA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000246289973 455464932 /nfs/dbraw/zinc/46/49/32/455464932.db2.gz XRYIHIUPTJLBJY-VQIMIIECSA-N 2 2 347.503 3.076 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000266898746 455471817 /nfs/dbraw/zinc/47/18/17/455471817.db2.gz FXCYTHYRHLVTDU-FUHWJXTLSA-N 2 2 340.471 3.083 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000266898746 455471820 /nfs/dbraw/zinc/47/18/20/455471820.db2.gz FXCYTHYRHLVTDU-FUHWJXTLSA-N 2 2 340.471 3.083 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328511 455471900 /nfs/dbraw/zinc/47/19/00/455471900.db2.gz KBRGWBJALUQWQW-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328511 455471905 /nfs/dbraw/zinc/47/19/05/455471905.db2.gz KBRGWBJALUQWQW-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328511 455471909 /nfs/dbraw/zinc/47/19/09/455471909.db2.gz KBRGWBJALUQWQW-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000246328511 455471914 /nfs/dbraw/zinc/47/19/14/455471914.db2.gz KBRGWBJALUQWQW-YJBOKZPZSA-N 2 2 349.906 3.109 20 0 EGADLP CCOC(C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979578 455480510 /nfs/dbraw/zinc/48/05/10/455480510.db2.gz MWLHZKIQCFCKSD-MJGOQNOKSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979578 455480513 /nfs/dbraw/zinc/48/05/13/455480513.db2.gz MWLHZKIQCFCKSD-MJGOQNOKSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979578 455480517 /nfs/dbraw/zinc/48/05/17/455480517.db2.gz MWLHZKIQCFCKSD-MJGOQNOKSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OCC ZINC000184979578 455480519 /nfs/dbraw/zinc/48/05/19/455480519.db2.gz MWLHZKIQCFCKSD-MJGOQNOKSA-N 2 2 334.504 3.370 20 0 EGADLP Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000191562950 455496911 /nfs/dbraw/zinc/49/69/11/455496911.db2.gz LZQWKTDNUYMSAX-PXNSSMCTSA-N 2 2 335.451 3.435 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000247183517 455570051 /nfs/dbraw/zinc/57/00/51/455570051.db2.gz VJEFHMBXCLWNCA-WIYYLYMNSA-N 2 2 338.499 3.018 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000247183517 455570052 /nfs/dbraw/zinc/57/00/52/455570052.db2.gz VJEFHMBXCLWNCA-WIYYLYMNSA-N 2 2 338.499 3.018 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230064 455576058 /nfs/dbraw/zinc/57/60/58/455576058.db2.gz YHRVMMCEFXPZLY-IPMKNSEASA-N 2 2 335.536 3.116 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230064 455576060 /nfs/dbraw/zinc/57/60/60/455576060.db2.gz YHRVMMCEFXPZLY-IPMKNSEASA-N 2 2 335.536 3.116 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247335249 455589530 /nfs/dbraw/zinc/58/95/30/455589530.db2.gz VVUDTRHNGHJGBI-GUYCJALGSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247335249 455589532 /nfs/dbraw/zinc/58/95/32/455589532.db2.gz VVUDTRHNGHJGBI-GUYCJALGSA-N 2 2 346.862 3.367 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000192357444 455595357 /nfs/dbraw/zinc/59/53/57/455595357.db2.gz YFWOYNXQXNEJOY-LJQANCHMSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000192357444 455595361 /nfs/dbraw/zinc/59/53/61/455595361.db2.gz YFWOYNXQXNEJOY-LJQANCHMSA-N 2 2 346.421 3.346 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247485113 455609439 /nfs/dbraw/zinc/60/94/39/455609439.db2.gz KMBFLRGBHXFCQK-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000247485113 455609440 /nfs/dbraw/zinc/60/94/40/455609440.db2.gz KMBFLRGBHXFCQK-QZTJIDSGSA-N 2 2 343.515 3.018 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000277601684 455612138 /nfs/dbraw/zinc/61/21/38/455612138.db2.gz FDDQTNCAFVBRHG-AWEZNQCLSA-N 2 2 327.394 3.408 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000277601684 455612144 /nfs/dbraw/zinc/61/21/44/455612144.db2.gz FDDQTNCAFVBRHG-AWEZNQCLSA-N 2 2 327.394 3.408 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000247505923 455614482 /nfs/dbraw/zinc/61/44/82/455614482.db2.gz MSNQNVIHSPGMNJ-BTHPGYMESA-N 2 2 346.540 3.466 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000247505923 455614487 /nfs/dbraw/zinc/61/44/87/455614487.db2.gz MSNQNVIHSPGMNJ-BTHPGYMESA-N 2 2 346.540 3.466 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247672068 455636030 /nfs/dbraw/zinc/63/60/30/455636030.db2.gz QYWVTOKDILETNP-BQFCYCMXSA-N 2 2 326.444 3.102 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247672068 455636033 /nfs/dbraw/zinc/63/60/33/455636033.db2.gz QYWVTOKDILETNP-BQFCYCMXSA-N 2 2 326.444 3.102 20 0 EGADLP Cc1ccc2nc(C[NH2+]CCCc3[nH+]c4ccccc4n3C)cn2c1 ZINC000284143004 455642454 /nfs/dbraw/zinc/64/24/54/455642454.db2.gz YVHWMQUSKAAQEO-UHFFFAOYSA-N 2 2 333.439 3.252 20 0 EGADLP COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000271460584 455645023 /nfs/dbraw/zinc/64/50/23/455645023.db2.gz GDBBKKLHDNURIG-AUUYWEPGSA-N 2 2 325.412 3.209 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774280 455645030 /nfs/dbraw/zinc/64/50/30/455645030.db2.gz WOPDLIKGFTXPTG-CKEIUWERSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247774280 455645034 /nfs/dbraw/zinc/64/50/34/455645034.db2.gz WOPDLIKGFTXPTG-CKEIUWERSA-N 2 2 346.862 3.447 20 0 EGADLP CC(C)c1nnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000292385333 455648150 /nfs/dbraw/zinc/64/81/50/455648150.db2.gz HXBNAJIDUOLGCV-UHFFFAOYSA-N 2 2 341.503 3.272 20 0 EGADLP CC(C)c1nnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000292385333 455648152 /nfs/dbraw/zinc/64/81/52/455648152.db2.gz HXBNAJIDUOLGCV-UHFFFAOYSA-N 2 2 341.503 3.272 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248003958 455669484 /nfs/dbraw/zinc/66/94/84/455669484.db2.gz KQFOZYSJXQPYDM-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248003958 455669486 /nfs/dbraw/zinc/66/94/86/455669486.db2.gz KQFOZYSJXQPYDM-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248003958 455669491 /nfs/dbraw/zinc/66/94/91/455669491.db2.gz KQFOZYSJXQPYDM-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248003958 455669495 /nfs/dbraw/zinc/66/94/95/455669495.db2.gz KQFOZYSJXQPYDM-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)oc1C ZINC000292481453 455674740 /nfs/dbraw/zinc/67/47/40/455674740.db2.gz ANNOKCRRUMNNFF-AWEZNQCLSA-N 2 2 334.460 3.386 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000248059012 455676072 /nfs/dbraw/zinc/67/60/72/455676072.db2.gz XYMLEIZBVZFBHY-QLFBSQMISA-N 2 2 342.430 3.438 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000248059012 455676078 /nfs/dbraw/zinc/67/60/78/455676078.db2.gz XYMLEIZBVZFBHY-QLFBSQMISA-N 2 2 342.430 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248174488 455693345 /nfs/dbraw/zinc/69/33/45/455693345.db2.gz VJWDIERLHUGJEG-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000248174488 455693348 /nfs/dbraw/zinc/69/33/48/455693348.db2.gz VJWDIERLHUGJEG-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248174488 455693353 /nfs/dbraw/zinc/69/33/53/455693353.db2.gz VJWDIERLHUGJEG-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000248174488 455693359 /nfs/dbraw/zinc/69/33/59/455693359.db2.gz VJWDIERLHUGJEG-LNLFQRSKSA-N 2 2 329.488 3.047 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000271712119 455730052 /nfs/dbraw/zinc/73/00/52/455730052.db2.gz BFNGDORECKQCGD-AWEZNQCLSA-N 2 2 338.517 3.433 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H](C)c2ccccc2)CC1 ZINC000271717776 455732166 /nfs/dbraw/zinc/73/21/66/455732166.db2.gz CRLLLTQGKDTFMB-QGZVFWFLSA-N 2 2 332.488 3.187 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780756 455755062 /nfs/dbraw/zinc/75/50/62/455755062.db2.gz ZBDLJVIVJUZFLE-DZGCQCFKSA-N 2 2 343.427 3.265 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780756 455755065 /nfs/dbraw/zinc/75/50/65/455755065.db2.gz ZBDLJVIVJUZFLE-DZGCQCFKSA-N 2 2 343.427 3.265 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780775 455755684 /nfs/dbraw/zinc/75/56/84/455755684.db2.gz ZBDLJVIVJUZFLE-ZFWWWQNUSA-N 2 2 343.427 3.265 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)oc1C ZINC000292780775 455755689 /nfs/dbraw/zinc/75/56/89/455755689.db2.gz ZBDLJVIVJUZFLE-ZFWWWQNUSA-N 2 2 343.427 3.265 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000249692852 455767931 /nfs/dbraw/zinc/76/79/31/455767931.db2.gz XMLBBGWYDDBPCG-YLJYHZDGSA-N 2 2 338.499 3.148 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000249692852 455767938 /nfs/dbraw/zinc/76/79/38/455767938.db2.gz XMLBBGWYDDBPCG-YLJYHZDGSA-N 2 2 338.499 3.148 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)[C@@H]2CCCO[C@@H]21 ZINC000271822181 455774587 /nfs/dbraw/zinc/77/45/87/455774587.db2.gz CJVSQEGMRMDTTN-OTWHNJEPSA-N 2 2 325.456 3.225 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(Br)cs1 ZINC000194049619 455795490 /nfs/dbraw/zinc/79/54/90/455795490.db2.gz DJKZHYYOEILGMZ-NWDGAFQWSA-N 2 2 347.322 3.130 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000251918553 455798986 /nfs/dbraw/zinc/79/89/86/455798986.db2.gz YIDKAKRLYJYGIC-TZMCWYRMSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(Br)c2)CC[C@H]1[NH3+] ZINC000251918553 455798990 /nfs/dbraw/zinc/79/89/90/455798990.db2.gz YIDKAKRLYJYGIC-TZMCWYRMSA-N 2 2 327.266 3.017 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCCn2c(C)[nH+]c3ccccc32)c1 ZINC000278327905 455818898 /nfs/dbraw/zinc/81/88/98/455818898.db2.gz VUBGAJGNNOMWQP-CYBMUJFWSA-N 2 2 341.411 3.465 20 0 EGADLP Cc1ccc(-c2ccc(C[N@@H+](CCO)C3CC[NH+](C)CC3)o2)cc1 ZINC000269361273 455843196 /nfs/dbraw/zinc/84/31/96/455843196.db2.gz PAYWOCGUCMDMDZ-UHFFFAOYSA-N 2 2 328.456 3.144 20 0 EGADLP Cc1ccc(-c2ccc(C[N@H+](CCO)C3CC[NH+](C)CC3)o2)cc1 ZINC000269361273 455843199 /nfs/dbraw/zinc/84/31/99/455843199.db2.gz PAYWOCGUCMDMDZ-UHFFFAOYSA-N 2 2 328.456 3.144 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186875564 455847105 /nfs/dbraw/zinc/84/71/05/455847105.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186875564 455847107 /nfs/dbraw/zinc/84/71/07/455847107.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186875564 455847112 /nfs/dbraw/zinc/84/71/12/455847112.db2.gz SYQWOZWHGTYIPU-JYWFKMLOSA-N 3 2 329.532 3.215 20 0 EGADLP Cn1c(CC[N@H+](C)CCC[NH+](C)Cc2ccco2)nc2ccccc21 ZINC000285570571 455872404 /nfs/dbraw/zinc/87/24/04/455872404.db2.gz HYDRDUPEIVFMCO-UHFFFAOYSA-N 2 2 340.471 3.163 20 0 EGADLP Cn1c(CC[N@@H+](C)CCC[NH+](C)Cc2ccco2)nc2ccccc21 ZINC000285570571 455872406 /nfs/dbraw/zinc/87/24/06/455872406.db2.gz HYDRDUPEIVFMCO-UHFFFAOYSA-N 2 2 340.471 3.163 20 0 EGADLP Cn1c(CC[NH+](C)CCC[N@@H+](C)Cc2ccco2)nc2ccccc21 ZINC000285570571 455872412 /nfs/dbraw/zinc/87/24/12/455872412.db2.gz HYDRDUPEIVFMCO-UHFFFAOYSA-N 2 2 340.471 3.163 20 0 EGADLP C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187176556 455877602 /nfs/dbraw/zinc/87/76/02/455877602.db2.gz NHKHYUXNQYLWQO-JXFKEZNVSA-N 2 2 348.450 3.294 20 0 EGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000285611730 455881697 /nfs/dbraw/zinc/88/16/97/455881697.db2.gz KHJKHKQEQDDCSA-PWRODBHTSA-N 3 2 338.499 3.164 20 0 EGADLP c1cn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000285611730 455881700 /nfs/dbraw/zinc/88/17/00/455881700.db2.gz KHJKHKQEQDDCSA-PWRODBHTSA-N 3 2 338.499 3.164 20 0 EGADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285616785 455882862 /nfs/dbraw/zinc/88/28/62/455882862.db2.gz JLULXAIQSSWOGU-QYYYHEGRSA-N 2 2 343.515 3.057 20 0 EGADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285616785 455882863 /nfs/dbraw/zinc/88/28/63/455882863.db2.gz JLULXAIQSSWOGU-QYYYHEGRSA-N 2 2 343.515 3.057 20 0 EGADLP C[C@@H](c1cccnc1)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285694635 455897878 /nfs/dbraw/zinc/89/78/78/455897878.db2.gz RFNHKLTUYOOSMA-IBGZPJMESA-N 2 2 338.499 3.287 20 0 EGADLP C[C@@H](c1cccnc1)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285694635 455897881 /nfs/dbraw/zinc/89/78/81/455897881.db2.gz RFNHKLTUYOOSMA-IBGZPJMESA-N 2 2 338.499 3.287 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000187392672 455903830 /nfs/dbraw/zinc/90/38/30/455903830.db2.gz POGDMOIKMWBRJD-PKOBYXMFSA-N 2 2 348.494 3.368 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nn(C)c3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000187392672 455903836 /nfs/dbraw/zinc/90/38/36/455903836.db2.gz POGDMOIKMWBRJD-PKOBYXMFSA-N 2 2 348.494 3.368 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724026 455905065 /nfs/dbraw/zinc/90/50/65/455905065.db2.gz QINAAAFRTAZDIN-MJGOQNOKSA-N 2 2 347.466 3.192 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000285724026 455905067 /nfs/dbraw/zinc/90/50/67/455905067.db2.gz QINAAAFRTAZDIN-MJGOQNOKSA-N 2 2 347.466 3.192 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000195031946 455914370 /nfs/dbraw/zinc/91/43/70/455914370.db2.gz REBVPPVNTNLFKP-AEFFLSMTSA-N 2 2 341.503 3.384 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000195031946 455914375 /nfs/dbraw/zinc/91/43/75/455914375.db2.gz REBVPPVNTNLFKP-AEFFLSMTSA-N 2 2 341.503 3.384 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811461 455920824 /nfs/dbraw/zinc/92/08/24/455920824.db2.gz VUURTIHRDBRNIK-CTNGQTDRSA-N 2 2 339.483 3.448 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1 ZINC000285811461 455920829 /nfs/dbraw/zinc/92/08/29/455920829.db2.gz VUURTIHRDBRNIK-CTNGQTDRSA-N 2 2 339.483 3.448 20 0 EGADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000261685626 455927498 /nfs/dbraw/zinc/92/74/98/455927498.db2.gz BSYYPGXGPJEOOC-HNNXBMFYSA-N 2 2 338.455 3.215 20 0 EGADLP CCC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C1CC[NH2+]CC1 ZINC000261728225 455936146 /nfs/dbraw/zinc/93/61/46/455936146.db2.gz MNVBAXRHISUGQY-UHFFFAOYSA-N 2 2 337.895 3.359 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C1CC[NH2+]CC1 ZINC000261728225 455936148 /nfs/dbraw/zinc/93/61/48/455936148.db2.gz MNVBAXRHISUGQY-UHFFFAOYSA-N 2 2 337.895 3.359 20 0 EGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1F ZINC000296488688 455952884 /nfs/dbraw/zinc/95/28/84/455952884.db2.gz OPCGDVQFOAUTOS-IAYQEVDDSA-N 2 2 326.843 3.381 20 0 EGADLP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1F ZINC000296488688 455952886 /nfs/dbraw/zinc/95/28/86/455952886.db2.gz OPCGDVQFOAUTOS-IAYQEVDDSA-N 2 2 326.843 3.381 20 0 EGADLP C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000187793387 455953698 /nfs/dbraw/zinc/95/36/98/455953698.db2.gz FULWPTABUHSXFW-QGZVFWFLSA-N 2 2 342.458 3.379 20 0 EGADLP C[C@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C[NH3+])C1 ZINC000261842093 455956877 /nfs/dbraw/zinc/95/68/77/455956877.db2.gz PRECYDKHKXIRNV-GOEBONIOSA-N 2 2 325.412 3.073 20 0 EGADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000261840884 455957182 /nfs/dbraw/zinc/95/71/82/455957182.db2.gz NWJZTYUZBIEDCQ-OAHLLOKOSA-N 2 2 338.455 3.215 20 0 EGADLP [NH3+][C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1c1ccccc1 ZINC000261916593 455971224 /nfs/dbraw/zinc/97/12/24/455971224.db2.gz IDRXUNFAJZGWDL-RBUKOAKNSA-N 2 2 337.398 3.407 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1c1ccccc1 ZINC000261916593 455971231 /nfs/dbraw/zinc/97/12/31/455971231.db2.gz IDRXUNFAJZGWDL-RBUKOAKNSA-N 2 2 337.398 3.407 20 0 EGADLP OCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188040754 455984044 /nfs/dbraw/zinc/98/40/44/455984044.db2.gz ZNMRYZPLOSPFRK-KXBFYZLASA-N 2 2 336.907 3.445 20 0 EGADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000262063070 455991861 /nfs/dbraw/zinc/99/18/61/455991861.db2.gz RHGYUUGSRNKBOX-CQSZACIVSA-N 2 2 338.377 3.075 20 0 EGADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000262063070 455991865 /nfs/dbraw/zinc/99/18/65/455991865.db2.gz RHGYUUGSRNKBOX-CQSZACIVSA-N 2 2 338.377 3.075 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[NH2+]C1 ZINC000262656652 456051175 /nfs/dbraw/zinc/05/11/75/456051175.db2.gz URJIWEMJYNXVTD-RYRKJORJSA-N 2 2 340.471 3.075 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000272732575 456055573 /nfs/dbraw/zinc/05/55/73/456055573.db2.gz IPGMVQGAHIYKPF-UHFFFAOYSA-N 2 2 338.879 3.431 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000272732575 456055577 /nfs/dbraw/zinc/05/55/77/456055577.db2.gz IPGMVQGAHIYKPF-UHFFFAOYSA-N 2 2 338.879 3.431 20 0 EGADLP C[C@@H](CCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000188451574 456065902 /nfs/dbraw/zinc/06/59/02/456065902.db2.gz MJICLTSRWWNHCZ-YJBOKZPZSA-N 2 2 330.451 3.492 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000270919687 456066915 /nfs/dbraw/zinc/06/69/15/456066915.db2.gz UZNGYXOUFMYWTJ-QGZVFWFLSA-N 2 2 337.427 3.469 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000270919687 456066924 /nfs/dbraw/zinc/06/69/24/456066924.db2.gz UZNGYXOUFMYWTJ-QGZVFWFLSA-N 2 2 337.427 3.469 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271053303 456114164 /nfs/dbraw/zinc/11/41/64/456114164.db2.gz XUXNLJDCUNGJSQ-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271053303 456114167 /nfs/dbraw/zinc/11/41/67/456114167.db2.gz XUXNLJDCUNGJSQ-UHFFFAOYSA-N 2 2 336.476 3.017 20 0 EGADLP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301499771 456130973 /nfs/dbraw/zinc/13/09/73/456130973.db2.gz AGCZBIIKQUGXOK-UHFFFAOYSA-N 2 2 331.847 3.456 20 0 EGADLP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301499771 456130975 /nfs/dbraw/zinc/13/09/75/456130975.db2.gz AGCZBIIKQUGXOK-UHFFFAOYSA-N 2 2 331.847 3.456 20 0 EGADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cscn1 ZINC000271134126 456136833 /nfs/dbraw/zinc/13/68/33/456136833.db2.gz MPEVSUFLBFSZGF-ZIAGYGMSSA-N 2 2 348.491 3.446 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000301603197 456157809 /nfs/dbraw/zinc/15/78/09/456157809.db2.gz WVDVWPCCPYYRMX-UHFFFAOYSA-N 2 2 331.847 3.456 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCO[C@H](C)C3)c[nH+]c12 ZINC000273116899 456182657 /nfs/dbraw/zinc/18/26/57/456182657.db2.gz YOXWSKWJTIKECA-DGCLKSJQSA-N 2 2 338.249 3.062 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000289935120 456186176 /nfs/dbraw/zinc/18/61/76/456186176.db2.gz ZDTMKXFDEJQIST-UHFFFAOYSA-N 2 2 325.456 3.138 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000289931244 456186796 /nfs/dbraw/zinc/18/67/96/456186796.db2.gz VLRLTAHKQCQLTI-HKUYNNGSSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ncccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000289931244 456186802 /nfs/dbraw/zinc/18/68/02/456186802.db2.gz VLRLTAHKQCQLTI-HKUYNNGSSA-N 2 2 338.499 3.290 20 0 EGADLP CCC[NH2+]CCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000236844941 456192045 /nfs/dbraw/zinc/19/20/45/456192045.db2.gz BEMUFAYYDDZAMN-UHFFFAOYSA-N 2 2 333.819 3.257 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000273154092 456194236 /nfs/dbraw/zinc/19/42/36/456194236.db2.gz ADFODFOTXMCDFQ-INIZCTEOSA-N 2 2 346.519 3.245 20 0 EGADLP CCN(CC)c1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)c[nH+]1 ZINC000236910426 456199739 /nfs/dbraw/zinc/19/97/39/456199739.db2.gz PXMZHBBCQLFFIE-SFHVURJKSA-N 2 2 340.471 3.024 20 0 EGADLP CC[NH+]1CCN(CCNc2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC1 ZINC000301745273 456205772 /nfs/dbraw/zinc/20/57/72/456205772.db2.gz XBDSYPGOKWNUDJ-UHFFFAOYSA-N 2 2 347.551 3.121 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289996781 456210127 /nfs/dbraw/zinc/21/01/27/456210127.db2.gz KVUZURVYYHBMEE-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000289996781 456210129 /nfs/dbraw/zinc/21/01/29/456210129.db2.gz KVUZURVYYHBMEE-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000289996781 456210130 /nfs/dbraw/zinc/21/01/30/456210130.db2.gz KVUZURVYYHBMEE-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cnn(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000289996781 456210132 /nfs/dbraw/zinc/21/01/32/456210132.db2.gz KVUZURVYYHBMEE-IEBWSBKVSA-N 2 2 326.488 3.213 20 0 EGADLP CC(C)c1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000333711662 456252529 /nfs/dbraw/zinc/25/25/29/456252529.db2.gz SKGGHMMFBOPCEM-QFBILLFUSA-N 2 2 346.519 3.446 20 0 EGADLP CC(C)c1nc(NC2CCC([NH+]3CCCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000301948049 456257472 /nfs/dbraw/zinc/25/74/72/456257472.db2.gz HTOBPWLKCIRQQN-UHFFFAOYSA-N 2 2 346.523 3.270 20 0 EGADLP CC(C)c1nc(N(C)C)nc(NC2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000301948049 456257475 /nfs/dbraw/zinc/25/74/75/456257475.db2.gz HTOBPWLKCIRQQN-UHFFFAOYSA-N 2 2 346.523 3.270 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)CC1 ZINC000302003108 456267892 /nfs/dbraw/zinc/26/78/92/456267892.db2.gz YBUFDCYAZJAZPB-GOSISDBHSA-N 2 2 343.519 3.247 20 0 EGADLP CC1CC[NH+](C[C@H]2CCCN(c3cc(NCC4CC4)nc[nH+]3)C2)CC1 ZINC000302003108 456267896 /nfs/dbraw/zinc/26/78/96/456267896.db2.gz YBUFDCYAZJAZPB-GOSISDBHSA-N 2 2 343.519 3.247 20 0 EGADLP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000290259730 456276099 /nfs/dbraw/zinc/27/60/99/456276099.db2.gz KLTABWVOSPMBMR-GOSISDBHSA-N 2 2 338.499 3.161 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000281714025 456299765 /nfs/dbraw/zinc/29/97/65/456299765.db2.gz OTFLXXDTXCDAOI-CYBMUJFWSA-N 2 2 338.908 3.137 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000281714025 456299769 /nfs/dbraw/zinc/29/97/69/456299769.db2.gz OTFLXXDTXCDAOI-CYBMUJFWSA-N 2 2 338.908 3.137 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190621 456302265 /nfs/dbraw/zinc/30/22/65/456302265.db2.gz IVLSKAJOSAJTHK-LEWJYISDSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340190621 456302272 /nfs/dbraw/zinc/30/22/72/456302272.db2.gz IVLSKAJOSAJTHK-LEWJYISDSA-N 3 2 327.516 3.286 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340231250 456326689 /nfs/dbraw/zinc/32/66/89/456326689.db2.gz NNWKXAVIJBYSLH-AHRSYUTCSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340231250 456326698 /nfs/dbraw/zinc/32/66/98/456326698.db2.gz NNWKXAVIJBYSLH-AHRSYUTCSA-N 3 2 326.488 3.253 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccsc2Br)s1 ZINC000352865668 456374436 /nfs/dbraw/zinc/37/44/36/456374436.db2.gz GHBLOYNZRRJLKY-UHFFFAOYSA-N 2 2 346.319 3.319 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000302685932 456374721 /nfs/dbraw/zinc/37/47/21/456374721.db2.gz YFJXMACXWVJIQD-NVXWUHKLSA-N 2 2 325.456 3.472 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000302685932 456374728 /nfs/dbraw/zinc/37/47/28/456374728.db2.gz YFJXMACXWVJIQD-NVXWUHKLSA-N 2 2 325.456 3.472 20 0 EGADLP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000276183870 456408406 /nfs/dbraw/zinc/40/84/06/456408406.db2.gz HHSUFZLVODIOLW-LBPRGKRZSA-N 2 2 345.340 3.440 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)nc1 ZINC000282084394 456409744 /nfs/dbraw/zinc/40/97/44/456409744.db2.gz XXJDVZBOQSDWNM-GOSISDBHSA-N 2 2 346.478 3.284 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(c3cc(N4CCCC4)[nH+]cn3)C2)CC1 ZINC000302887933 456428094 /nfs/dbraw/zinc/42/80/94/456428094.db2.gz MHKVYUPYPSRKGH-SFHVURJKSA-N 2 2 343.519 3.025 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(c3cc(N4CCCC4)nc[nH+]3)C2)CC1 ZINC000302887933 456428098 /nfs/dbraw/zinc/42/80/98/456428098.db2.gz MHKVYUPYPSRKGH-SFHVURJKSA-N 2 2 343.519 3.025 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1nccc2ccccc21 ZINC000290803239 456432620 /nfs/dbraw/zinc/43/26/20/456432620.db2.gz VQJAEAUWEZGYGZ-DLBZAZTESA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1nccc2ccccc21 ZINC000290803239 456432624 /nfs/dbraw/zinc/43/26/24/456432624.db2.gz VQJAEAUWEZGYGZ-DLBZAZTESA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H](SCCc1c[nH+]cn1C)[C@@H](C)SCCc1c[nH+]cn1C ZINC000298369971 456438096 /nfs/dbraw/zinc/43/80/96/456438096.db2.gz UOIMCEZPOHGEQG-ZIAGYGMSSA-N 2 2 338.546 3.182 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000353000234 456438101 /nfs/dbraw/zinc/43/81/01/456438101.db2.gz QTGWJDWYCKGEBN-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1OC ZINC000353000234 456438105 /nfs/dbraw/zinc/43/81/05/456438105.db2.gz QTGWJDWYCKGEBN-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC ZINC000353000234 456438111 /nfs/dbraw/zinc/43/81/11/456438111.db2.gz QTGWJDWYCKGEBN-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OC ZINC000353000234 456438116 /nfs/dbraw/zinc/43/81/16/456438116.db2.gz QTGWJDWYCKGEBN-ZWKOTPCHSA-N 2 2 332.488 3.400 20 0 EGADLP CCc1ccc([C@H](C[NH2+]C2CCN(C(C)=O)CC2)[NH+](CC)CC)cc1 ZINC000340410944 456443125 /nfs/dbraw/zinc/44/31/25/456443125.db2.gz NFAPUKLBKQIGHN-NRFANRHFSA-N 2 2 345.531 3.232 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000340476054 456483095 /nfs/dbraw/zinc/48/30/95/456483095.db2.gz GPGGZDCOGBFIKV-IOJLRTSASA-N 3 2 327.516 3.256 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000340476054 456483103 /nfs/dbraw/zinc/48/31/03/456483103.db2.gz GPGGZDCOGBFIKV-IOJLRTSASA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340476054 456483108 /nfs/dbraw/zinc/48/31/08/456483108.db2.gz GPGGZDCOGBFIKV-IOJLRTSASA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000340476054 456483114 /nfs/dbraw/zinc/48/31/14/456483114.db2.gz GPGGZDCOGBFIKV-IOJLRTSASA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511151 456465379 /nfs/dbraw/zinc/46/53/79/456465379.db2.gz BLEFVYNVOVSKLJ-QUCCMNQESA-N 2 2 349.563 3.269 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511151 456465381 /nfs/dbraw/zinc/46/53/81/456465381.db2.gz BLEFVYNVOVSKLJ-QUCCMNQESA-N 2 2 349.563 3.269 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511151 456465384 /nfs/dbraw/zinc/46/53/84/456465384.db2.gz BLEFVYNVOVSKLJ-QUCCMNQESA-N 2 2 349.563 3.269 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511151 456465388 /nfs/dbraw/zinc/46/53/88/456465388.db2.gz BLEFVYNVOVSKLJ-QUCCMNQESA-N 2 2 349.563 3.269 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337670962 456471982 /nfs/dbraw/zinc/47/19/82/456471982.db2.gz PQIOPSWUWFDEAK-RTWAWAEBSA-N 2 2 340.467 3.029 20 0 EGADLP COCCCOc1cccc(C[N@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c1 ZINC000337670962 456471986 /nfs/dbraw/zinc/47/19/86/456471986.db2.gz PQIOPSWUWFDEAK-RTWAWAEBSA-N 2 2 340.467 3.029 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475672 456482829 /nfs/dbraw/zinc/48/28/29/456482829.db2.gz MQZLSLXHBJKIJZ-WOJBJXKFSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475672 456482838 /nfs/dbraw/zinc/48/28/38/456482838.db2.gz MQZLSLXHBJKIJZ-WOJBJXKFSA-N 2 2 326.488 3.162 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000340493675 456491736 /nfs/dbraw/zinc/49/17/36/456491736.db2.gz ALVUCNUABOQKOO-GJYPPUQNSA-N 2 2 325.456 3.261 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000340493675 456491740 /nfs/dbraw/zinc/49/17/40/456491740.db2.gz ALVUCNUABOQKOO-GJYPPUQNSA-N 2 2 325.456 3.261 20 0 EGADLP C[C@@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613071 456500625 /nfs/dbraw/zinc/50/06/25/456500625.db2.gz OJFQIIMFZZLPFW-UIBIWLFHSA-N 2 2 340.471 3.219 20 0 EGADLP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccncc1F ZINC000340519864 456506811 /nfs/dbraw/zinc/50/68/11/456506811.db2.gz QWUMFBVOIJTAAA-MRXNPFEDSA-N 2 2 335.467 3.154 20 0 EGADLP C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000353126924 456508497 /nfs/dbraw/zinc/50/84/97/456508497.db2.gz NLIYJKLFVUTXEE-XMMPIXPASA-N 2 2 339.464 3.041 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340535428 456517179 /nfs/dbraw/zinc/51/71/79/456517179.db2.gz YSWYSGLLXQJTFS-JVPBZIDWSA-N 2 2 333.545 3.084 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340535428 456517183 /nfs/dbraw/zinc/51/71/83/456517183.db2.gz YSWYSGLLXQJTFS-JVPBZIDWSA-N 2 2 333.545 3.084 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000340535735 456517440 /nfs/dbraw/zinc/51/74/40/456517440.db2.gz RARCBNBXYJDWPL-PXNSSMCTSA-N 2 2 341.503 3.118 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)s1 ZINC000348189990 456525642 /nfs/dbraw/zinc/52/56/42/456525642.db2.gz ZOHGXJXJPNBMQU-LBPRGKRZSA-N 2 2 337.439 3.472 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)s1 ZINC000348189990 456525647 /nfs/dbraw/zinc/52/56/47/456525647.db2.gz ZOHGXJXJPNBMQU-LBPRGKRZSA-N 2 2 337.439 3.472 20 0 EGADLP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797902 456552751 /nfs/dbraw/zinc/55/27/51/456552751.db2.gz GUWRKODQQZJWFM-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cnn1C ZINC000337797902 456552756 /nfs/dbraw/zinc/55/27/56/456552756.db2.gz GUWRKODQQZJWFM-IBGZPJMESA-N 2 2 326.488 3.119 20 0 EGADLP Cc1cc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)cc(N2CCCC2)n1 ZINC000353238078 456580173 /nfs/dbraw/zinc/58/01/73/456580173.db2.gz GGXJJULZEFFNJW-UHFFFAOYSA-N 2 2 335.455 3.236 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000282692250 456593317 /nfs/dbraw/zinc/59/33/17/456593317.db2.gz KKZFZSZUFYXLPG-HOJAQTOUSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000282692250 456593321 /nfs/dbraw/zinc/59/33/21/456593321.db2.gz KKZFZSZUFYXLPG-HOJAQTOUSA-N 2 2 328.500 3.446 20 0 EGADLP CC(C)Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904283 456593568 /nfs/dbraw/zinc/59/35/68/456593568.db2.gz TVGUMDKMFVUUGG-VQTJNVASSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904283 456593576 /nfs/dbraw/zinc/59/35/76/456593576.db2.gz TVGUMDKMFVUUGG-VQTJNVASSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904283 456593581 /nfs/dbraw/zinc/59/35/81/456593581.db2.gz TVGUMDKMFVUUGG-VQTJNVASSA-N 2 2 341.503 3.059 20 0 EGADLP CC(C)Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)cn1 ZINC000337904283 456593588 /nfs/dbraw/zinc/59/35/88/456593588.db2.gz TVGUMDKMFVUUGG-VQTJNVASSA-N 2 2 341.503 3.059 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282709300 456599606 /nfs/dbraw/zinc/59/96/06/456599606.db2.gz KNCYHTFKDUEHKQ-AWEZNQCLSA-N 2 2 343.240 3.096 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037915 456611062 /nfs/dbraw/zinc/61/10/62/456611062.db2.gz HXRYBGXQCCZHLT-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037915 456611067 /nfs/dbraw/zinc/61/10/67/456611067.db2.gz HXRYBGXQCCZHLT-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037915 456611070 /nfs/dbraw/zinc/61/10/70/456611070.db2.gz HXRYBGXQCCZHLT-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(O)c3Br)CC[C@H]21 ZINC000316037915 456611076 /nfs/dbraw/zinc/61/10/76/456611076.db2.gz HXRYBGXQCCZHLT-GXTWGEPZSA-N 2 2 339.277 3.071 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000348336179 456632899 /nfs/dbraw/zinc/63/28/99/456632899.db2.gz SAOUUDCHOAAKPT-BFUOFWGJSA-N 2 2 327.403 3.301 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)c1 ZINC000353326656 456641407 /nfs/dbraw/zinc/64/14/07/456641407.db2.gz KJELNSIOADLTKB-UHFFFAOYSA-N 2 2 341.386 3.298 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875177 456652704 /nfs/dbraw/zinc/65/27/04/456652704.db2.gz WCWGSKWTHGADAB-SFHVURJKSA-N 2 2 341.503 3.048 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875177 456652709 /nfs/dbraw/zinc/65/27/09/456652709.db2.gz WCWGSKWTHGADAB-SFHVURJKSA-N 2 2 341.503 3.048 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875177 456652713 /nfs/dbraw/zinc/65/27/13/456652713.db2.gz WCWGSKWTHGADAB-SFHVURJKSA-N 2 2 341.503 3.048 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282875177 456652717 /nfs/dbraw/zinc/65/27/17/456652717.db2.gz WCWGSKWTHGADAB-SFHVURJKSA-N 2 2 341.503 3.048 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017261 456653954 /nfs/dbraw/zinc/65/39/54/456653954.db2.gz CTWGNHJMSRZLMO-QFBILLFUSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017261 456653959 /nfs/dbraw/zinc/65/39/59/456653959.db2.gz CTWGNHJMSRZLMO-QFBILLFUSA-N 2 2 343.446 3.162 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(COC)n1 ZINC000348389003 456661805 /nfs/dbraw/zinc/66/18/05/456661805.db2.gz PZYMDJQFEURXTF-HOCLYGCPSA-N 2 2 325.522 3.280 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114525 456686863 /nfs/dbraw/zinc/68/68/63/456686863.db2.gz HIVBRVVGCZPZQE-BBRMVZONSA-N 2 2 330.394 3.155 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000277114525 456686868 /nfs/dbraw/zinc/68/68/68/456686868.db2.gz HIVBRVVGCZPZQE-BBRMVZONSA-N 2 2 330.394 3.155 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000338186195 456690675 /nfs/dbraw/zinc/69/06/75/456690675.db2.gz NDIQMUFLDFTMCG-WMZOPIPTSA-N 2 2 325.456 3.225 20 0 EGADLP COC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000353425087 456691819 /nfs/dbraw/zinc/69/18/19/456691819.db2.gz IMRFQZWBBIWHPW-KRWDZBQOSA-N 2 2 333.863 3.393 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000353436077 456697486 /nfs/dbraw/zinc/69/74/86/456697486.db2.gz NSBCMCBHJCYVPD-KRWDZBQOSA-N 2 2 325.456 3.073 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000338199089 456699963 /nfs/dbraw/zinc/69/99/63/456699963.db2.gz VCWUNTPADWBWDD-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000338199089 456699967 /nfs/dbraw/zinc/69/99/67/456699967.db2.gz VCWUNTPADWBWDD-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)[C@@H]3OCCc4sccc43)n2c1 ZINC000291643263 456704769 /nfs/dbraw/zinc/70/47/69/456704769.db2.gz BRYNRBDSVZOYQU-UGSOOPFHSA-N 2 2 327.453 3.496 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000338222009 456715897 /nfs/dbraw/zinc/71/58/97/456715897.db2.gz STJRGOUEVKARQP-GOSISDBHSA-N 2 2 344.499 3.402 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000338222009 456715905 /nfs/dbraw/zinc/71/59/05/456715905.db2.gz STJRGOUEVKARQP-GOSISDBHSA-N 2 2 344.499 3.402 20 0 EGADLP Cc1ccc(C(C)C)c2c1[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCO2 ZINC000338230877 456720677 /nfs/dbraw/zinc/72/06/77/456720677.db2.gz PWXLSVZUSRPWJT-LPHOPBHVSA-N 2 2 346.515 3.500 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348523819 456735883 /nfs/dbraw/zinc/73/58/83/456735883.db2.gz AUYDKKLLZOZRGH-MAUKXSAKSA-N 2 2 340.471 3.029 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000348523819 456735887 /nfs/dbraw/zinc/73/58/87/456735887.db2.gz AUYDKKLLZOZRGH-MAUKXSAKSA-N 2 2 340.471 3.029 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)C1 ZINC000299662611 456757737 /nfs/dbraw/zinc/75/77/37/456757737.db2.gz NFYOGKRLSDGOPS-MRXNPFEDSA-N 2 2 326.444 3.144 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)C1 ZINC000299662611 456757745 /nfs/dbraw/zinc/75/77/45/456757745.db2.gz NFYOGKRLSDGOPS-MRXNPFEDSA-N 2 2 326.444 3.144 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353559281 456759163 /nfs/dbraw/zinc/75/91/63/456759163.db2.gz ZZVJASXHRAOFRQ-QGZVFWFLSA-N 2 2 349.519 3.213 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353559281 456759170 /nfs/dbraw/zinc/75/91/70/456759170.db2.gz ZZVJASXHRAOFRQ-QGZVFWFLSA-N 2 2 349.519 3.213 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353559281 456759180 /nfs/dbraw/zinc/75/91/80/456759180.db2.gz ZZVJASXHRAOFRQ-QGZVFWFLSA-N 2 2 349.519 3.213 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277285993 456760655 /nfs/dbraw/zinc/76/06/55/456760655.db2.gz SQRLDMRENMMRPP-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277285993 456760657 /nfs/dbraw/zinc/76/06/57/456760657.db2.gz SQRLDMRENMMRPP-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](Cc4ccccc4)C[C@H]3C)n2c1 ZINC000353569680 456768988 /nfs/dbraw/zinc/76/89/88/456768988.db2.gz OPVREFJWBPFIBJ-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2c1 ZINC000353569680 456768997 /nfs/dbraw/zinc/76/89/97/456768997.db2.gz OPVREFJWBPFIBJ-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc(C(C)C)[nH+]1 ZINC000301071331 456789776 /nfs/dbraw/zinc/78/97/76/456789776.db2.gz VFCIYORJAFPJIY-SFHVURJKSA-N 2 2 340.471 3.221 20 0 EGADLP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(C(C)C)[nH+]1 ZINC000301071331 456789786 /nfs/dbraw/zinc/78/97/86/456789786.db2.gz VFCIYORJAFPJIY-SFHVURJKSA-N 2 2 340.471 3.221 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368544 456797770 /nfs/dbraw/zinc/79/77/70/456797770.db2.gz XMDPJAWZNDACJC-RBUKOAKNSA-N 2 2 343.515 3.133 20 0 EGADLP Cc1cc(C)c(N2CC[C@@H]([N@H+]3CCC[C@H]([NH+](C)C)CC3)C2=O)c(C)c1 ZINC000277368544 456797776 /nfs/dbraw/zinc/79/77/76/456797776.db2.gz XMDPJAWZNDACJC-RBUKOAKNSA-N 2 2 343.515 3.133 20 0 EGADLP C[NH+](C)CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000344200433 456806080 /nfs/dbraw/zinc/80/60/80/456806080.db2.gz URSUULLDMDGEBZ-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353616515 456806575 /nfs/dbraw/zinc/80/65/75/456806575.db2.gz AVSSHVYQKVNQPK-CEWLAPEOSA-N 2 2 338.499 3.499 20 0 EGADLP Cc1[nH]ncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353616515 456806577 /nfs/dbraw/zinc/80/65/77/456806577.db2.gz AVSSHVYQKVNQPK-CEWLAPEOSA-N 2 2 338.499 3.499 20 0 EGADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@@H](C)Cn2cccn2)[NH+](C)C)cc1 ZINC000348701977 456820426 /nfs/dbraw/zinc/82/04/26/456820426.db2.gz PZKDGMKVNIPKLX-FXAWDEMLSA-N 2 2 328.504 3.363 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000353659452 456837921 /nfs/dbraw/zinc/83/79/21/456837921.db2.gz KZBMIADPMGPHDA-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000353659452 456837926 /nfs/dbraw/zinc/83/79/26/456837926.db2.gz KZBMIADPMGPHDA-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662553 456840750 /nfs/dbraw/zinc/84/07/50/456840750.db2.gz AGRRBXLMJCOLAY-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662553 456840752 /nfs/dbraw/zinc/84/07/52/456840752.db2.gz AGRRBXLMJCOLAY-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662553 456840759 /nfs/dbraw/zinc/84/07/59/456840759.db2.gz AGRRBXLMJCOLAY-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000353662553 456840763 /nfs/dbraw/zinc/84/07/63/456840763.db2.gz AGRRBXLMJCOLAY-HNNXBMFYSA-N 2 2 338.879 3.417 20 0 EGADLP CC(C)[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)[NH+]1CCC(C)CC1 ZINC000353672587 456845773 /nfs/dbraw/zinc/84/57/73/456845773.db2.gz ABWHXSQOJKTZFU-KRWDZBQOSA-N 2 2 343.475 3.212 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353679559 456850985 /nfs/dbraw/zinc/85/09/85/456850985.db2.gz PGWFSQAQDXJHTG-IYBDPMFKSA-N 2 2 343.475 3.214 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353679559 456850987 /nfs/dbraw/zinc/85/09/87/456850987.db2.gz PGWFSQAQDXJHTG-IYBDPMFKSA-N 2 2 343.475 3.214 20 0 EGADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc[nH+]1 ZINC000348809759 456865361 /nfs/dbraw/zinc/86/53/61/456865361.db2.gz LPUPKMGQFUUDLF-KRWDZBQOSA-N 2 2 337.467 3.094 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2c[nH+]c3cccc(C)n23)o1 ZINC000349071733 456895860 /nfs/dbraw/zinc/89/58/60/456895860.db2.gz HHLQFCUNTWCJAY-UHFFFAOYSA-N 2 2 326.444 3.108 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766961 456897586 /nfs/dbraw/zinc/89/75/86/456897586.db2.gz JGXNQHHACWKZKG-BEFAXECRSA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766961 456897590 /nfs/dbraw/zinc/89/75/90/456897590.db2.gz JGXNQHHACWKZKG-BEFAXECRSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766961 456897592 /nfs/dbraw/zinc/89/75/92/456897592.db2.gz JGXNQHHACWKZKG-BEFAXECRSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C ZINC000353766961 456897595 /nfs/dbraw/zinc/89/75/95/456897595.db2.gz JGXNQHHACWKZKG-BEFAXECRSA-N 2 2 330.451 3.316 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)sc2C1 ZINC000349189456 456907435 /nfs/dbraw/zinc/90/74/35/456907435.db2.gz LKKDISXNOYQVPK-CWFSZBLJSA-N 2 2 339.508 3.338 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3[C@H]4Cc5ccccc5[C@@H]34)sc2C1 ZINC000349189456 456907437 /nfs/dbraw/zinc/90/74/37/456907437.db2.gz LKKDISXNOYQVPK-CWFSZBLJSA-N 2 2 339.508 3.338 20 0 EGADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ncc(Br)s3)C2)CC1 ZINC000349194163 456910038 /nfs/dbraw/zinc/91/00/38/456910038.db2.gz RGMRAZOMRATPKU-GFCCVEGCSA-N 2 2 344.322 3.069 20 0 EGADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ncc(Br)s3)C2)CC1 ZINC000349194163 456910039 /nfs/dbraw/zinc/91/00/39/456910039.db2.gz RGMRAZOMRATPKU-GFCCVEGCSA-N 2 2 344.322 3.069 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000339053154 456917510 /nfs/dbraw/zinc/91/75/10/456917510.db2.gz VCJCYFPPYIECEM-OXQOHEQNSA-N 2 2 337.467 3.369 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000339053154 456917514 /nfs/dbraw/zinc/91/75/14/456917514.db2.gz VCJCYFPPYIECEM-OXQOHEQNSA-N 2 2 337.467 3.369 20 0 EGADLP C[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349327078 456943542 /nfs/dbraw/zinc/94/35/42/456943542.db2.gz FLYBXRRRILYKID-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349327078 456943545 /nfs/dbraw/zinc/94/35/45/456943545.db2.gz FLYBXRRRILYKID-CQSZACIVSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000341788540 456945567 /nfs/dbraw/zinc/94/55/67/456945567.db2.gz BRMCJJVGAKBAKZ-VQTJNVASSA-N 2 2 343.515 3.117 20 0 EGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CCC2 ZINC000341788540 456945574 /nfs/dbraw/zinc/94/55/74/456945574.db2.gz BRMCJJVGAKBAKZ-VQTJNVASSA-N 2 2 343.515 3.117 20 0 EGADLP CCOC(=O)c1coc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000349411490 456964038 /nfs/dbraw/zinc/96/40/38/456964038.db2.gz XPLUSFGENVMTOK-UHFFFAOYSA-N 2 2 345.443 3.345 20 0 EGADLP COc1ccccc1[C@@H](C[NH2+]CCCc1ccc(C)[nH+]c1)N(C)C ZINC000353925058 456967088 /nfs/dbraw/zinc/96/70/88/456967088.db2.gz CSDYQPGMTSNWIZ-LJQANCHMSA-N 2 2 327.472 3.224 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000353923731 456967834 /nfs/dbraw/zinc/96/78/34/456967834.db2.gz OWXDLBHNVFKXGW-UXHICEINSA-N 2 2 337.467 3.377 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000353923731 456967839 /nfs/dbraw/zinc/96/78/39/456967839.db2.gz OWXDLBHNVFKXGW-UXHICEINSA-N 2 2 337.467 3.377 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccn(C)n1 ZINC000349469141 456974322 /nfs/dbraw/zinc/97/43/22/456974322.db2.gz ZMSGGDGQNGEBCE-INIZCTEOSA-N 2 2 327.407 3.294 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947346 456975668 /nfs/dbraw/zinc/97/56/68/456975668.db2.gz MGBCTGKURBKMFO-XPTSAGLGSA-N 2 2 333.220 3.157 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000353947346 456975673 /nfs/dbraw/zinc/97/56/73/456975673.db2.gz MGBCTGKURBKMFO-XPTSAGLGSA-N 2 2 333.220 3.157 20 0 EGADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353954623 456978567 /nfs/dbraw/zinc/97/85/67/456978567.db2.gz KDRBGPFBXAUMRX-BDZKXGRMSA-N 2 2 335.536 3.019 20 0 EGADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353954623 456978570 /nfs/dbraw/zinc/97/85/70/456978570.db2.gz KDRBGPFBXAUMRX-BDZKXGRMSA-N 2 2 335.536 3.019 20 0 EGADLP CC1=C(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177817 456979186 /nfs/dbraw/zinc/97/91/86/456979186.db2.gz WWLIIEAMNPEAGD-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP CC1=C(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177817 456979188 /nfs/dbraw/zinc/97/91/88/456979188.db2.gz WWLIIEAMNPEAGD-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP CSCc1cnc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000339183758 456981949 /nfs/dbraw/zinc/98/19/49/456981949.db2.gz OUZLJJHDDBEYSC-OKILXGFUSA-N 2 2 327.563 3.464 20 0 EGADLP CSCc1cnc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000339183758 456981952 /nfs/dbraw/zinc/98/19/52/456981952.db2.gz OUZLJJHDDBEYSC-OKILXGFUSA-N 2 2 327.563 3.464 20 0 EGADLP CC(C)C[C@H]1COCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888328 456988440 /nfs/dbraw/zinc/98/84/40/456988440.db2.gz IYXUSCIYIHIFEW-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@H]1COCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888328 456988441 /nfs/dbraw/zinc/98/84/41/456988441.db2.gz IYXUSCIYIHIFEW-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@H]1COCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341888328 456988443 /nfs/dbraw/zinc/98/84/43/456988443.db2.gz IYXUSCIYIHIFEW-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@H]1COCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341888328 456988447 /nfs/dbraw/zinc/98/84/47/456988447.db2.gz IYXUSCIYIHIFEW-LEWJYISDSA-N 2 2 346.515 3.024 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000341891167 456989042 /nfs/dbraw/zinc/98/90/42/456989042.db2.gz HMRBTFZGERYSLN-IBGZPJMESA-N 3 2 338.499 3.253 20 0 EGADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000349570654 456990123 /nfs/dbraw/zinc/99/01/23/456990123.db2.gz TUWIILIRTIHEIU-UHFFFAOYSA-N 2 2 325.865 3.027 20 0 EGADLP CC[C@H](CSC)[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901262 456992518 /nfs/dbraw/zinc/99/25/18/456992518.db2.gz BUMNFQPISHVPSU-RTBURBONSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@H](CSC)[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341901262 456992519 /nfs/dbraw/zinc/99/25/19/456992519.db2.gz BUMNFQPISHVPSU-RTBURBONSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@H](CSC)[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341901262 456992522 /nfs/dbraw/zinc/99/25/22/456992522.db2.gz BUMNFQPISHVPSU-RTBURBONSA-N 2 2 336.545 3.351 20 0 EGADLP CC[C@H](CSC)[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341901262 456992525 /nfs/dbraw/zinc/99/25/25/456992525.db2.gz BUMNFQPISHVPSU-RTBURBONSA-N 2 2 336.545 3.351 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341916322 456999510 /nfs/dbraw/zinc/99/95/10/456999510.db2.gz WBAUWFCGTHONLN-CYBMUJFWSA-N 2 2 338.377 3.289 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000341916322 456999517 /nfs/dbraw/zinc/99/95/17/456999517.db2.gz WBAUWFCGTHONLN-CYBMUJFWSA-N 2 2 338.377 3.289 20 0 EGADLP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000354017036 457012690 /nfs/dbraw/zinc/01/26/90/457012690.db2.gz GLDWNLCFQQJGOX-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000354017036 457012693 /nfs/dbraw/zinc/01/26/93/457012693.db2.gz GLDWNLCFQQJGOX-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1csc([C@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000349682753 457015954 /nfs/dbraw/zinc/01/59/54/457015954.db2.gz DLRNWAVIAVGQAW-CQSZACIVSA-N 2 2 330.501 3.204 20 0 EGADLP c1nnc([C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C2CCCCC2)[nH]1 ZINC000330269329 457017398 /nfs/dbraw/zinc/01/73/98/457017398.db2.gz RWMRUHKYHMRERB-GOSISDBHSA-N 2 2 331.508 3.423 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038911 457025430 /nfs/dbraw/zinc/02/54/30/457025430.db2.gz OILYJRLOABHVJT-OTWHNJEPSA-N 2 2 337.552 3.124 20 0 EGADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038911 457025439 /nfs/dbraw/zinc/02/54/39/457025439.db2.gz OILYJRLOABHVJT-OTWHNJEPSA-N 2 2 337.552 3.124 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000354044336 457029198 /nfs/dbraw/zinc/02/91/98/457029198.db2.gz IFHHGEIRCWWVBX-UHFFFAOYSA-N 2 2 333.495 3.125 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093717 457058123 /nfs/dbraw/zinc/05/81/23/457058123.db2.gz QZGBATVACZDMJM-WDSOQIARSA-N 2 2 344.499 3.361 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000354093717 457058128 /nfs/dbraw/zinc/05/81/28/457058128.db2.gz QZGBATVACZDMJM-WDSOQIARSA-N 2 2 344.499 3.361 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000359468364 457086325 /nfs/dbraw/zinc/08/63/25/457086325.db2.gz VNVOYUMWXNYULN-KSZLIROESA-N 2 2 343.519 3.309 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000359468364 457086329 /nfs/dbraw/zinc/08/63/29/457086329.db2.gz VNVOYUMWXNYULN-KSZLIROESA-N 2 2 343.519 3.309 20 0 EGADLP C[NH+](C)CCOC1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342123237 457122187 /nfs/dbraw/zinc/12/21/87/457122187.db2.gz GCSMTAHHWDCOEF-UHFFFAOYSA-N 2 2 333.863 3.435 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219768 457137692 /nfs/dbraw/zinc/13/76/92/457137692.db2.gz DICVXNTWQPQUMK-MSOLQXFVSA-N 2 2 331.504 3.355 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219768 457137698 /nfs/dbraw/zinc/13/76/98/457137698.db2.gz DICVXNTWQPQUMK-MSOLQXFVSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219768 457137704 /nfs/dbraw/zinc/13/77/04/457137704.db2.gz DICVXNTWQPQUMK-MSOLQXFVSA-N 2 2 331.504 3.355 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C ZINC000354219768 457137710 /nfs/dbraw/zinc/13/77/10/457137710.db2.gz DICVXNTWQPQUMK-MSOLQXFVSA-N 2 2 331.504 3.355 20 0 EGADLP CC1(C)CC([NH2+]Cc2ncc(Br)s2)CC(C)(C)[NH2+]1 ZINC000359931533 457154631 /nfs/dbraw/zinc/15/46/31/457154631.db2.gz KQLJABMHASWUOK-UHFFFAOYSA-N 2 2 332.311 3.304 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC[C@H]2F)CC1 ZINC000339586937 457156491 /nfs/dbraw/zinc/15/64/91/457156491.db2.gz NYILKISAAROEMQ-HZPDHXFCSA-N 2 2 325.859 3.072 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000359953107 457169890 /nfs/dbraw/zinc/16/98/90/457169890.db2.gz UBFOPICRUYPCIB-CQSZACIVSA-N 2 2 337.895 3.358 20 0 EGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)CC1 ZINC000359959335 457172008 /nfs/dbraw/zinc/17/20/08/457172008.db2.gz RZXNQIQEGBXIIY-UHFFFAOYSA-N 2 2 349.931 3.439 20 0 EGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)CC1 ZINC000359959335 457172014 /nfs/dbraw/zinc/17/20/14/457172014.db2.gz RZXNQIQEGBXIIY-UHFFFAOYSA-N 2 2 349.931 3.439 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000342280815 457209026 /nfs/dbraw/zinc/20/90/26/457209026.db2.gz AZGYNWSMBXODKO-DNVCBOLYSA-N 2 2 335.455 3.019 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000342280815 457209033 /nfs/dbraw/zinc/20/90/33/457209033.db2.gz AZGYNWSMBXODKO-DNVCBOLYSA-N 2 2 335.455 3.019 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)n21 ZINC000342299584 457222616 /nfs/dbraw/zinc/22/26/16/457222616.db2.gz BQFBGVLERFJCKE-YLJYHZDGSA-N 2 2 334.467 3.395 20 0 EGADLP Cc1cccc2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)n21 ZINC000342299584 457222620 /nfs/dbraw/zinc/22/26/20/457222620.db2.gz BQFBGVLERFJCKE-YLJYHZDGSA-N 2 2 334.467 3.395 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331716784 457237506 /nfs/dbraw/zinc/23/75/06/457237506.db2.gz GRDVYXIGVYYOFP-IRXDYDNUSA-N 2 2 347.507 3.301 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331716784 457237511 /nfs/dbraw/zinc/23/75/11/457237511.db2.gz GRDVYXIGVYYOFP-IRXDYDNUSA-N 2 2 347.507 3.301 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347118917 457239573 /nfs/dbraw/zinc/23/95/73/457239573.db2.gz XSGPOQAEKJTFSU-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347118917 457239578 /nfs/dbraw/zinc/23/95/78/457239578.db2.gz XSGPOQAEKJTFSU-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000339826145 457295499 /nfs/dbraw/zinc/29/54/99/457295499.db2.gz AZVWVFGHOASSQI-GOSISDBHSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000339826145 457295501 /nfs/dbraw/zinc/29/55/01/457295501.db2.gz AZVWVFGHOASSQI-GOSISDBHSA-N 2 2 339.483 3.495 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000351472186 457298694 /nfs/dbraw/zinc/29/86/94/457298694.db2.gz ACWDGJMUBQLRJS-YESZJQIVSA-N 2 2 326.444 3.029 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000351472186 457298701 /nfs/dbraw/zinc/29/87/01/457298701.db2.gz ACWDGJMUBQLRJS-YESZJQIVSA-N 2 2 326.444 3.029 20 0 EGADLP C[C@H](CC1CCOCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000347281348 457328832 /nfs/dbraw/zinc/32/88/32/457328832.db2.gz YBKVPRSGEMALOB-MRXNPFEDSA-N 2 2 346.519 3.229 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)c1 ZINC000355361342 457363847 /nfs/dbraw/zinc/36/38/47/457363847.db2.gz FGIBARWJFSGLOX-ZDUSSCGKSA-N 2 2 333.382 3.252 20 0 EGADLP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000355363208 457365435 /nfs/dbraw/zinc/36/54/35/457365435.db2.gz KGBWPEKYHJVKDI-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000355363208 457365438 /nfs/dbraw/zinc/36/54/38/457365438.db2.gz KGBWPEKYHJVKDI-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442177 457371105 /nfs/dbraw/zinc/37/11/05/457371105.db2.gz LOHFZQNPDSACDQ-RHSMWYFYSA-N 2 2 334.414 3.073 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352442177 457371108 /nfs/dbraw/zinc/37/11/08/457371108.db2.gz LOHFZQNPDSACDQ-RHSMWYFYSA-N 2 2 334.414 3.073 20 0 EGADLP CCCc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360883620 457407559 /nfs/dbraw/zinc/40/75/59/457407559.db2.gz OIUUQVBRUNGMAQ-FXAWDEMLSA-N 2 2 345.531 3.232 20 0 EGADLP CCCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360883620 457407567 /nfs/dbraw/zinc/40/75/67/457407567.db2.gz OIUUQVBRUNGMAQ-FXAWDEMLSA-N 2 2 345.531 3.232 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@H]2CCCO[C@@H]21 ZINC000378551843 457409261 /nfs/dbraw/zinc/40/92/61/457409261.db2.gz PIQKWWXCGRIORO-KFWWJZLASA-N 2 2 334.426 3.196 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000352541430 457451180 /nfs/dbraw/zinc/45/11/80/457451180.db2.gz XRQPUSHXTSOPCE-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000352541430 457451183 /nfs/dbraw/zinc/45/11/83/457451183.db2.gz XRQPUSHXTSOPCE-MRXNPFEDSA-N 2 2 339.277 3.033 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000360953869 457462362 /nfs/dbraw/zinc/46/23/62/457462362.db2.gz JRAKCEQUMLUDMC-SFHVURJKSA-N 2 2 336.501 3.206 20 0 EGADLP Cn1c2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2[nH+]c1C1CC1 ZINC000347534467 457490866 /nfs/dbraw/zinc/49/08/66/457490866.db2.gz PUKSNYAWYCUVDD-UHFFFAOYSA-N 2 2 332.407 3.306 20 0 EGADLP Cc1[nH+]ccn1CCCN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000347579618 457522302 /nfs/dbraw/zinc/52/23/02/457522302.db2.gz JZTNOQPVFGQMQX-ZWKOTPCHSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579618 457522307 /nfs/dbraw/zinc/52/23/07/457522307.db2.gz JZTNOQPVFGQMQX-ZWKOTPCHSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579618 457522315 /nfs/dbraw/zinc/52/23/15/457522315.db2.gz JZTNOQPVFGQMQX-ZWKOTPCHSA-N 2 2 326.488 3.176 20 0 EGADLP COC1CC[NH+](C2(C[NH2+]CC3(SC)CCC3)CCCC2)CC1 ZINC000356196630 457523952 /nfs/dbraw/zinc/52/39/52/457523952.db2.gz TVDPKCUKMXDUKA-UHFFFAOYSA-N 2 2 326.550 3.285 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(OCc3ccccc3)CC2)s1 ZINC000347582669 457525864 /nfs/dbraw/zinc/52/58/64/457525864.db2.gz IFSOGNRGSMMXQB-UHFFFAOYSA-N 2 2 345.512 3.386 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@]3(C)CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000405978053 457553795 /nfs/dbraw/zinc/55/37/95/457553795.db2.gz YLBBTIVYXNUJCZ-NRFANRHFSA-N 2 2 349.482 3.031 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000405978053 457553801 /nfs/dbraw/zinc/55/38/01/457553801.db2.gz YLBBTIVYXNUJCZ-NRFANRHFSA-N 2 2 349.482 3.031 20 0 EGADLP COc1ccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000405981909 457553887 /nfs/dbraw/zinc/55/38/87/457553887.db2.gz CQKHDRLPDNBPPV-HXUWFJFHSA-N 2 2 326.440 3.155 20 0 EGADLP COc1ccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000405981909 457553891 /nfs/dbraw/zinc/55/38/91/457553891.db2.gz CQKHDRLPDNBPPV-HXUWFJFHSA-N 2 2 326.440 3.155 20 0 EGADLP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063519 457558384 /nfs/dbraw/zinc/55/83/84/457558384.db2.gz RSPAZXHWRCJAIS-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347633884 457563875 /nfs/dbraw/zinc/56/38/75/457563875.db2.gz IDYXILAEAACVFB-UHFFFAOYSA-N 3 2 338.565 3.149 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347633884 457563883 /nfs/dbraw/zinc/56/38/83/457563883.db2.gz IDYXILAEAACVFB-UHFFFAOYSA-N 3 2 338.565 3.149 20 0 EGADLP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352735047 457569481 /nfs/dbraw/zinc/56/94/81/457569481.db2.gz GDIVFYZDRIVDCT-SJKOYZFVSA-N 2 2 337.464 3.210 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2N2CCCCC2)s1 ZINC000352740360 457572181 /nfs/dbraw/zinc/57/21/81/457572181.db2.gz WGCKKUOHRZVEFA-UHFFFAOYSA-N 2 2 344.528 3.485 20 0 EGADLP CCCCN(CC)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361089966 457576441 /nfs/dbraw/zinc/57/64/41/457576441.db2.gz ZJWBBYNLUGSNQG-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP O=[S@](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000361089862 457576751 /nfs/dbraw/zinc/57/67/51/457576751.db2.gz YOTHUPQNFYFEOL-XMMPIXPASA-N 2 2 345.512 3.183 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425499121 457577396 /nfs/dbraw/zinc/57/73/96/457577396.db2.gz AEYVSDNNGVHPGL-UHFFFAOYSA-N 2 2 330.501 3.178 20 0 EGADLP COCc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357538528 457586030 /nfs/dbraw/zinc/58/60/30/457586030.db2.gz RUASYNZZTYCJRS-OAHLLOKOSA-N 2 2 345.462 3.332 20 0 EGADLP COCc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357538528 457586033 /nfs/dbraw/zinc/58/60/33/457586033.db2.gz RUASYNZZTYCJRS-OAHLLOKOSA-N 2 2 345.462 3.332 20 0 EGADLP Cn1c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]c2cccc(F)c21 ZINC000409664389 457611777 /nfs/dbraw/zinc/61/17/77/457611777.db2.gz WYIXJZLUHJVATJ-INIZCTEOSA-N 2 2 338.430 3.068 20 0 EGADLP Cn1c(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]c2cccc(F)c21 ZINC000409664389 457611782 /nfs/dbraw/zinc/61/17/82/457611782.db2.gz WYIXJZLUHJVATJ-INIZCTEOSA-N 2 2 338.430 3.068 20 0 EGADLP Fc1ccc(F)c2c1OCC[C@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894788 457649438 /nfs/dbraw/zinc/64/94/38/457649438.db2.gz HHAJUNONVYYROT-OAHLLOKOSA-N 2 2 349.381 3.033 20 0 EGADLP C[N@H+](Cc1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931217 457654487 /nfs/dbraw/zinc/65/44/87/457654487.db2.gz KNUDOTQOAXQQQO-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[N@@H+](Cc1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931217 457654492 /nfs/dbraw/zinc/65/44/92/457654492.db2.gz KNUDOTQOAXQQQO-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1cccc(Cl)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425931217 457654497 /nfs/dbraw/zinc/65/44/97/457654497.db2.gz KNUDOTQOAXQQQO-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1cccc(Cl)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425931217 457654502 /nfs/dbraw/zinc/65/45/02/457654502.db2.gz KNUDOTQOAXQQQO-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCc2c1c(Br)ccc2F)C[NH+](C)C ZINC000425944441 457657390 /nfs/dbraw/zinc/65/73/90/457657390.db2.gz MZXSNXKWASWMAU-IINYFYTJSA-N 2 2 329.257 3.363 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1)CCC2 ZINC000374577343 457664529 /nfs/dbraw/zinc/66/45/29/457664529.db2.gz RLCWLZWOHINJJT-ZFWWWQNUSA-N 2 2 344.434 3.215 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000357791200 457690900 /nfs/dbraw/zinc/69/09/00/457690900.db2.gz LBUAFFCUWJAIJH-SJORKVTESA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000357791200 457690903 /nfs/dbraw/zinc/69/09/03/457690903.db2.gz LBUAFFCUWJAIJH-SJORKVTESA-N 2 2 340.471 3.031 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)[nH+]1 ZINC000357807792 457697744 /nfs/dbraw/zinc/69/77/44/457697744.db2.gz AVAZULXYKTTWAV-ROUUACIJSA-N 2 2 347.466 3.225 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)[nH+]1 ZINC000357807792 457697745 /nfs/dbraw/zinc/69/77/45/457697745.db2.gz AVAZULXYKTTWAV-ROUUACIJSA-N 2 2 347.466 3.225 20 0 EGADLP C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361344029 457700599 /nfs/dbraw/zinc/70/05/99/457700599.db2.gz BASSJZXBIRZXRN-ZDUSSCGKSA-N 2 2 326.366 3.017 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@](F)(CO)C1 ZINC000361372925 457709444 /nfs/dbraw/zinc/70/94/44/457709444.db2.gz AOZNFZWIKLHNPJ-LJQANCHMSA-N 2 2 333.451 3.311 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@](F)(CO)C1 ZINC000361372925 457709446 /nfs/dbraw/zinc/70/94/46/457709446.db2.gz AOZNFZWIKLHNPJ-LJQANCHMSA-N 2 2 333.451 3.311 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CCN(CC(F)F)CC1)[NH+](C)C ZINC000361456020 457737851 /nfs/dbraw/zinc/73/78/51/457737851.db2.gz HJIPSKSPKURQCG-KXBFYZLASA-N 2 2 339.474 3.305 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077882 457848510 /nfs/dbraw/zinc/84/85/10/457848510.db2.gz UNBLGHJSIWSSRY-LPHOPBHVSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000444077882 457848513 /nfs/dbraw/zinc/84/85/13/457848513.db2.gz UNBLGHJSIWSSRY-LPHOPBHVSA-N 2 2 332.451 3.374 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301179 457855010 /nfs/dbraw/zinc/85/50/10/457855010.db2.gz SPIZRRALZUHLPA-BRWVUGGUSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(F)(F)F)c1 ZINC000371301179 457855016 /nfs/dbraw/zinc/85/50/16/457855016.db2.gz SPIZRRALZUHLPA-BRWVUGGUSA-N 2 2 342.405 3.389 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000375265219 457855621 /nfs/dbraw/zinc/85/56/21/457855621.db2.gz GEBMXFBCHMAACO-AWEZNQCLSA-N 2 2 329.444 3.396 20 0 EGADLP CC(C)Cn1cc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000433760712 457878912 /nfs/dbraw/zinc/87/89/12/457878912.db2.gz VDHWBTTVFDQSDT-QGZVFWFLSA-N 2 2 327.476 3.061 20 0 EGADLP CC(C)Cn1cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000433760712 457878921 /nfs/dbraw/zinc/87/89/21/457878921.db2.gz VDHWBTTVFDQSDT-QGZVFWFLSA-N 2 2 327.476 3.061 20 0 EGADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000375355342 457892913 /nfs/dbraw/zinc/89/29/13/457892913.db2.gz WCHXRJJOVVXGTK-CQSZACIVSA-N 2 2 336.233 3.101 20 0 EGADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000375355342 457892917 /nfs/dbraw/zinc/89/29/17/457892917.db2.gz WCHXRJJOVVXGTK-CQSZACIVSA-N 2 2 336.233 3.101 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000361890717 457934683 /nfs/dbraw/zinc/93/46/83/457934683.db2.gz UQPBLGKNXGWEAN-DNVCBOLYSA-N 2 2 341.455 3.312 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000361890717 457934691 /nfs/dbraw/zinc/93/46/91/457934691.db2.gz UQPBLGKNXGWEAN-DNVCBOLYSA-N 2 2 341.455 3.312 20 0 EGADLP O[C@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CC[N@H+](Cc2ccccc2)C1 ZINC000361891504 457935369 /nfs/dbraw/zinc/93/53/69/457935369.db2.gz HZVDLXABAKBFEH-RTWAWAEBSA-N 2 2 340.442 3.040 20 0 EGADLP O[C@]1(C[NH2+][C@@H]2CCc3c2cccc3F)CC[N@@H+](Cc2ccccc2)C1 ZINC000361891504 457935376 /nfs/dbraw/zinc/93/53/76/457935376.db2.gz HZVDLXABAKBFEH-RTWAWAEBSA-N 2 2 340.442 3.040 20 0 EGADLP CC(C)c1nc(N2CCC([N@@H+](C)C[C@H](C)O)CC2)cc(C(C)(C)C)[nH+]1 ZINC000434092302 457945158 /nfs/dbraw/zinc/94/51/58/457945158.db2.gz OKXKUCCHLIIGAQ-HNNXBMFYSA-N 2 2 348.535 3.179 20 0 EGADLP CC(C)c1nc(N2CCC([N@H+](C)C[C@H](C)O)CC2)cc(C(C)(C)C)[nH+]1 ZINC000434092302 457945163 /nfs/dbraw/zinc/94/51/63/457945163.db2.gz OKXKUCCHLIIGAQ-HNNXBMFYSA-N 2 2 348.535 3.179 20 0 EGADLP CCN(C)c1ccc(CNc2[nH+]c3ccc(F)cc3n2CC)c[nH+]1 ZINC000358376097 457962432 /nfs/dbraw/zinc/96/24/32/457962432.db2.gz GZJAZOSJBHSCHO-UHFFFAOYSA-N 2 2 327.407 3.080 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000375663253 458010940 /nfs/dbraw/zinc/01/09/40/458010940.db2.gz JFAQIVIRZGRFLD-WBVHZDCISA-N 2 2 342.439 3.239 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000375663253 458010945 /nfs/dbraw/zinc/01/09/45/458010945.db2.gz JFAQIVIRZGRFLD-WBVHZDCISA-N 2 2 342.439 3.239 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1OC(F)F ZINC000362030822 458015102 /nfs/dbraw/zinc/01/51/02/458015102.db2.gz XVFAFNTUCNKQLI-TZMCWYRMSA-N 2 2 328.403 3.117 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1OC(F)F ZINC000362030822 458015107 /nfs/dbraw/zinc/01/51/07/458015107.db2.gz XVFAFNTUCNKQLI-TZMCWYRMSA-N 2 2 328.403 3.117 20 0 EGADLP C[N@H+](CCC(=O)OC(C)(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445464731 458054296 /nfs/dbraw/zinc/05/42/96/458054296.db2.gz OZVSIJSAWWJULV-UHFFFAOYSA-N 2 2 338.414 3.067 20 0 EGADLP C[N@@H+](CCC(=O)OC(C)(C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445464731 458054307 /nfs/dbraw/zinc/05/43/07/458054307.db2.gz OZVSIJSAWWJULV-UHFFFAOYSA-N 2 2 338.414 3.067 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101124 /nfs/dbraw/zinc/10/11/24/458101124.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101128 /nfs/dbraw/zinc/10/11/28/458101128.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101133 /nfs/dbraw/zinc/10/11/33/458101133.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226322 458101139 /nfs/dbraw/zinc/10/11/39/458101139.db2.gz GXCDFSGHWNBELW-PCCBWWKXSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@H]1CN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C[C@H](C)[NH+]1C ZINC000358678636 458147062 /nfs/dbraw/zinc/14/70/62/458147062.db2.gz MDVLJLDRKVCSAV-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393445 458149232 /nfs/dbraw/zinc/14/92/32/458149232.db2.gz LEWOAYHJIYHOHL-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393445 458149237 /nfs/dbraw/zinc/14/92/37/458149237.db2.gz LEWOAYHJIYHOHL-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393445 458149244 /nfs/dbraw/zinc/14/92/44/458149244.db2.gz LEWOAYHJIYHOHL-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000362393445 458149249 /nfs/dbraw/zinc/14/92/49/458149249.db2.gz LEWOAYHJIYHOHL-MSOLQXFVSA-N 2 2 331.504 3.212 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000428468987 458152595 /nfs/dbraw/zinc/15/25/95/458152595.db2.gz QYJBSFBNDWBCCS-GHTZIAJQSA-N 2 2 346.515 3.338 20 0 EGADLP CC(C)O[C@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000428468987 458152601 /nfs/dbraw/zinc/15/26/01/458152601.db2.gz QYJBSFBNDWBCCS-GHTZIAJQSA-N 2 2 346.515 3.338 20 0 EGADLP CCC[C@@H](CC1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369295366 458162074 /nfs/dbraw/zinc/16/20/74/458162074.db2.gz VJTRBRYWCVKBRY-OALUTQOASA-N 2 2 349.563 3.268 20 0 EGADLP CCC[C@@H](CC1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369295366 458162081 /nfs/dbraw/zinc/16/20/81/458162081.db2.gz VJTRBRYWCVKBRY-OALUTQOASA-N 2 2 349.563 3.268 20 0 EGADLP C[C@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335782 458177872 /nfs/dbraw/zinc/17/78/72/458177872.db2.gz SUUKSIUKZVQOGI-YLJYHZDGSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335782 458177874 /nfs/dbraw/zinc/17/78/74/458177874.db2.gz SUUKSIUKZVQOGI-YLJYHZDGSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc(C(C)(C)C)no2)[nH+]1 ZINC000369511752 458244026 /nfs/dbraw/zinc/24/40/26/458244026.db2.gz ORJWANKWBNVVBJ-CQSZACIVSA-N 2 2 329.448 3.147 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nc(C(C)(C)C)no2)[nH+]1 ZINC000369511752 458244032 /nfs/dbraw/zinc/24/40/32/458244032.db2.gz ORJWANKWBNVVBJ-CQSZACIVSA-N 2 2 329.448 3.147 20 0 EGADLP CN1C[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC000436378298 458296606 /nfs/dbraw/zinc/29/66/06/458296606.db2.gz RMBDQKCXSNXCNH-GOSISDBHSA-N 2 2 332.451 3.271 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429541993 458342660 /nfs/dbraw/zinc/34/26/60/458342660.db2.gz WWBMUNDMBJGQPO-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429541993 458342664 /nfs/dbraw/zinc/34/26/64/458342664.db2.gz WWBMUNDMBJGQPO-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP COCc1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000459356646 458342822 /nfs/dbraw/zinc/34/28/22/458342822.db2.gz OHUPJSXRINSJHA-INIZCTEOSA-N 2 2 335.492 3.298 20 0 EGADLP COCc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000459356646 458342825 /nfs/dbraw/zinc/34/28/25/458342825.db2.gz OHUPJSXRINSJHA-INIZCTEOSA-N 2 2 335.492 3.298 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459362750 458345885 /nfs/dbraw/zinc/34/58/85/458345885.db2.gz GYHDLCCOAPIUHV-VDHUWJSZSA-N 2 2 331.485 3.200 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000459418570 458365245 /nfs/dbraw/zinc/36/52/45/458365245.db2.gz DBKIWIVURBCFCI-UZLBHIALSA-N 2 2 336.483 3.497 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC000459418570 458365249 /nfs/dbraw/zinc/36/52/49/458365249.db2.gz DBKIWIVURBCFCI-UZLBHIALSA-N 2 2 336.483 3.497 20 0 EGADLP C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423433065 458432817 /nfs/dbraw/zinc/43/28/17/458432817.db2.gz OZUYHPYHNBENDJ-HNAYVOBHSA-N 2 2 340.471 3.347 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CCC[NH2+]1 ZINC000423439039 458433997 /nfs/dbraw/zinc/43/39/97/458433997.db2.gz VCKDCKLVLZXHMK-SWLSCSKDSA-N 2 2 332.366 3.004 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000423509524 458447485 /nfs/dbraw/zinc/44/74/85/458447485.db2.gz RMZAKSDIXZIAKN-KGXSXCIVSA-N 2 2 332.488 3.350 20 0 EGADLP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423526181 458451336 /nfs/dbraw/zinc/45/13/36/458451336.db2.gz UYVCZUOEEPGHPR-HZPDHXFCSA-N 2 2 329.410 3.040 20 0 EGADLP CC(C)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423527753 458453008 /nfs/dbraw/zinc/45/30/08/458453008.db2.gz VXMPADCDAAGJEL-IRXDYDNUSA-N 2 2 343.437 3.286 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430544196 458458912 /nfs/dbraw/zinc/45/89/12/458458912.db2.gz NMBUXKRYJJWWHE-QGZVFWFLSA-N 2 2 339.439 3.231 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430544196 458458914 /nfs/dbraw/zinc/45/89/14/458458914.db2.gz NMBUXKRYJJWWHE-QGZVFWFLSA-N 2 2 339.439 3.231 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C1CCCC1 ZINC000459743641 458465751 /nfs/dbraw/zinc/46/57/51/458465751.db2.gz DAKCCDMHCYPRDV-VQTJNVASSA-N 2 2 325.456 3.245 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C1CCCC1 ZINC000459743641 458465755 /nfs/dbraw/zinc/46/57/55/458465755.db2.gz DAKCCDMHCYPRDV-VQTJNVASSA-N 2 2 325.456 3.245 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H](C)[NH3+] ZINC000423837086 458494644 /nfs/dbraw/zinc/49/46/44/458494644.db2.gz GPDPLIOWUWXBIL-AUUYWEPGSA-N 2 2 338.455 3.160 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966349 458511537 /nfs/dbraw/zinc/51/15/37/458511537.db2.gz NOZANBWLUKRMJR-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966349 458511544 /nfs/dbraw/zinc/51/15/44/458511544.db2.gz NOZANBWLUKRMJR-LBPRGKRZSA-N 2 2 334.261 3.039 20 0 EGADLP CCCC[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377699951 458511518 /nfs/dbraw/zinc/51/15/18/458511518.db2.gz NELUMNZSGVIZOE-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CCCC[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377699951 458511522 /nfs/dbraw/zinc/51/15/22/458511522.db2.gz NELUMNZSGVIZOE-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000431023041 458518394 /nfs/dbraw/zinc/51/83/94/458518394.db2.gz JYHIVHPEMIKGOS-UHFFFAOYSA-N 2 2 339.418 3.132 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C2CCCCC2)n1 ZINC000377888846 458564908 /nfs/dbraw/zinc/56/49/08/458564908.db2.gz MEIQREBTBOTIHJ-INIZCTEOSA-N 2 2 327.476 3.191 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C2CCCCC2)n1 ZINC000377888846 458564910 /nfs/dbraw/zinc/56/49/10/458564910.db2.gz MEIQREBTBOTIHJ-INIZCTEOSA-N 2 2 327.476 3.191 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000377967339 458585033 /nfs/dbraw/zinc/58/50/33/458585033.db2.gz ZLVZGJJMDKPWHC-GOEBONIOSA-N 2 2 329.444 3.437 20 0 EGADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000469900378 458600906 /nfs/dbraw/zinc/60/09/06/458600906.db2.gz VSTZYKGWGZZOPV-FQEVSTJZSA-N 2 2 330.516 3.397 20 0 EGADLP CC(C)c1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000469900378 458600914 /nfs/dbraw/zinc/60/09/14/458600914.db2.gz VSTZYKGWGZZOPV-FQEVSTJZSA-N 2 2 330.516 3.397 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000502282389 458644179 /nfs/dbraw/zinc/64/41/79/458644179.db2.gz ZEDDKSRVRXSTTK-DLBZAZTESA-N 2 2 334.504 3.407 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000502282389 458644183 /nfs/dbraw/zinc/64/41/83/458644183.db2.gz ZEDDKSRVRXSTTK-DLBZAZTESA-N 2 2 334.504 3.407 20 0 EGADLP Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C)c[nH+]1 ZINC000546610279 458644627 /nfs/dbraw/zinc/64/46/27/458644627.db2.gz BLDQGNMSFZNVCT-OAHLLOKOSA-N 2 2 344.484 3.093 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494259218 458649188 /nfs/dbraw/zinc/64/91/88/458649188.db2.gz IVBJKOCDWVUMEM-UHFFFAOYSA-N 2 2 339.414 3.314 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494259218 458649195 /nfs/dbraw/zinc/64/91/95/458649195.db2.gz IVBJKOCDWVUMEM-UHFFFAOYSA-N 2 2 339.414 3.314 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841366 458661153 /nfs/dbraw/zinc/66/11/53/458661153.db2.gz ZJTJYAVJHDEVHI-NYVOZVTQSA-N 2 2 338.495 3.354 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462841366 458661163 /nfs/dbraw/zinc/66/11/63/458661163.db2.gz ZJTJYAVJHDEVHI-NYVOZVTQSA-N 2 2 338.495 3.354 20 0 EGADLP Brc1cccc(C2CC([NH2+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000432411296 458733781 /nfs/dbraw/zinc/73/37/81/458733781.db2.gz XDKFJKYEIUBIDC-OGVSOVDVSA-N 2 2 346.272 3.496 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cc2n1C ZINC000530474728 458774255 /nfs/dbraw/zinc/77/42/55/458774255.db2.gz RHHSXVGKIPPMEQ-AWEZNQCLSA-N 2 2 342.487 3.122 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)cc2n1C ZINC000530474728 458774260 /nfs/dbraw/zinc/77/42/60/458774260.db2.gz RHHSXVGKIPPMEQ-AWEZNQCLSA-N 2 2 342.487 3.122 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495018939 458784525 /nfs/dbraw/zinc/78/45/25/458784525.db2.gz QQUWANJPTQKGJS-ZBFHGGJFSA-N 2 2 326.444 3.179 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495018939 458784531 /nfs/dbraw/zinc/78/45/31/458784531.db2.gz QQUWANJPTQKGJS-ZBFHGGJFSA-N 2 2 326.444 3.179 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000495047311 458788942 /nfs/dbraw/zinc/78/89/42/458788942.db2.gz HKCNSRHQOIATNU-RTWAWAEBSA-N 2 2 344.474 3.402 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463790 458798226 /nfs/dbraw/zinc/79/82/26/458798226.db2.gz GBPRMPJFFIAVOK-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000472463790 458798233 /nfs/dbraw/zinc/79/82/33/458798233.db2.gz GBPRMPJFFIAVOK-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000472463790 458798238 /nfs/dbraw/zinc/79/82/38/458798238.db2.gz GBPRMPJFFIAVOK-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000472463790 458798244 /nfs/dbraw/zinc/79/82/44/458798244.db2.gz GBPRMPJFFIAVOK-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000474262404 458872617 /nfs/dbraw/zinc/87/26/17/458872617.db2.gz CRDIKNGPXAJMCF-LJQANCHMSA-N 2 2 338.499 3.489 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000474262404 458872622 /nfs/dbraw/zinc/87/26/22/458872622.db2.gz CRDIKNGPXAJMCF-LJQANCHMSA-N 2 2 338.499 3.489 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631651 458903430 /nfs/dbraw/zinc/90/34/30/458903430.db2.gz RLHCCUQAQLZBQA-HUUCEWRRSA-N 2 2 344.459 3.212 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000495631651 458903436 /nfs/dbraw/zinc/90/34/36/458903436.db2.gz RLHCCUQAQLZBQA-HUUCEWRRSA-N 2 2 344.459 3.212 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368321 458927770 /nfs/dbraw/zinc/92/77/70/458927770.db2.gz SIBYAZKSYZWDDV-TZIWHRDSSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368321 458927774 /nfs/dbraw/zinc/92/77/74/458927774.db2.gz SIBYAZKSYZWDDV-TZIWHRDSSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441368321 458927780 /nfs/dbraw/zinc/92/77/80/458927780.db2.gz SIBYAZKSYZWDDV-TZIWHRDSSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441368321 458927783 /nfs/dbraw/zinc/92/77/83/458927783.db2.gz SIBYAZKSYZWDDV-TZIWHRDSSA-N 2 2 345.531 3.306 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631729 458956635 /nfs/dbraw/zinc/95/66/35/458956635.db2.gz ONZDEZUQMDMMRD-CXAGYDPISA-N 2 2 342.405 3.243 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631729 458956639 /nfs/dbraw/zinc/95/66/39/458956639.db2.gz ONZDEZUQMDMMRD-CXAGYDPISA-N 2 2 342.405 3.243 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2)c1C ZINC000577014326 458963485 /nfs/dbraw/zinc/96/34/85/458963485.db2.gz YXNWFJWFYVPUHM-ZIAGYGMSSA-N 2 2 326.444 3.300 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC1CCCCC1 ZINC000495818545 458966134 /nfs/dbraw/zinc/96/61/34/458966134.db2.gz CLJCMZHWLVEJFX-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC1CCCCC1 ZINC000495818545 458966142 /nfs/dbraw/zinc/96/61/42/458966142.db2.gz CLJCMZHWLVEJFX-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)c3ccc(C[NH+](C)C)nc3)ccc21 ZINC000566602829 458966793 /nfs/dbraw/zinc/96/67/93/458966793.db2.gz GFQAZDPRIZCMHU-UHFFFAOYSA-N 2 2 349.438 3.010 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000566615399 458969437 /nfs/dbraw/zinc/96/94/37/458969437.db2.gz JCBZPIZDDBYFMX-UEXGIBASSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000566615399 458969446 /nfs/dbraw/zinc/96/94/46/458969446.db2.gz JCBZPIZDDBYFMX-UEXGIBASSA-N 2 2 326.484 3.261 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc2ccccc21 ZINC000519590613 458969922 /nfs/dbraw/zinc/96/99/22/458969922.db2.gz DHIVSDPODRCQGA-MMMWYMCRSA-N 2 2 325.456 3.143 20 0 EGADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924634 459022429 /nfs/dbraw/zinc/02/24/29/459022429.db2.gz RZSYANTXFFPPLW-QZTJIDSGSA-N 2 2 349.906 3.076 20 0 EGADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000495968103 459022578 /nfs/dbraw/zinc/02/25/78/459022578.db2.gz HHDGVLKVTTUUQC-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP COC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000566941776 459023744 /nfs/dbraw/zinc/02/37/44/459023744.db2.gz UQLRVWAMXMAFDI-OXJNMPFZSA-N 2 2 338.451 3.398 20 0 EGADLP CCCN1C(=O)C2(CCCCC2)[NH2+][C@@]12CCC[C@H](c1[nH+]ccn1C)C2 ZINC000556882292 459026802 /nfs/dbraw/zinc/02/68/02/459026802.db2.gz ZBEWUHLKMUKIFN-JXFKEZNVSA-N 2 2 344.503 3.319 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767178 459033198 /nfs/dbraw/zinc/03/31/98/459033198.db2.gz QCSCPKHUEQFQEA-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442767178 459033204 /nfs/dbraw/zinc/03/32/04/459033204.db2.gz QCSCPKHUEQFQEA-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780464 459033976 /nfs/dbraw/zinc/03/39/76/459033976.db2.gz NQWNDZVVDOVZBC-CHWSQXEVSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780464 459033981 /nfs/dbraw/zinc/03/39/81/459033981.db2.gz NQWNDZVVDOVZBC-CHWSQXEVSA-N 2 2 335.448 3.030 20 0 EGADLP CCC(CC)n1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000567013469 459035120 /nfs/dbraw/zinc/03/51/20/459035120.db2.gz DJPHEVYXTAFVSJ-UHFFFAOYSA-N 2 2 348.535 3.179 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442807049 459041150 /nfs/dbraw/zinc/04/11/50/459041150.db2.gz CSNDBEYZGSFSKM-UHFFFAOYSA-N 2 2 332.414 3.372 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442807049 459041155 /nfs/dbraw/zinc/04/11/55/459041155.db2.gz CSNDBEYZGSFSKM-UHFFFAOYSA-N 2 2 332.414 3.372 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C(C)C)cc1 ZINC000567176073 459059381 /nfs/dbraw/zinc/05/93/81/459059381.db2.gz AZLOOYVWSFEQTL-LDQXTDLNSA-N 2 2 345.531 3.435 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C(C)C)cc1 ZINC000567176073 459059389 /nfs/dbraw/zinc/05/93/89/459059389.db2.gz AZLOOYVWSFEQTL-LDQXTDLNSA-N 2 2 345.531 3.435 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765321 459091642 /nfs/dbraw/zinc/09/16/42/459091642.db2.gz YKNBZPPRMMGSQX-VQIMIIECSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765321 459091665 /nfs/dbraw/zinc/09/16/65/459091665.db2.gz YKNBZPPRMMGSQX-VQIMIIECSA-N 2 2 337.467 3.028 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000521266836 459136898 /nfs/dbraw/zinc/13/68/98/459136898.db2.gz HUQAELGRGHNHJB-IUODEOHRSA-N 2 2 334.851 3.037 20 0 EGADLP COc1cc(C[NH2+]Cc2c[nH+]c(C)n2C)ccc1OC1CCCC1 ZINC000578206901 459163214 /nfs/dbraw/zinc/16/32/14/459163214.db2.gz FEOFVPXTFFUXHC-UHFFFAOYSA-N 2 2 329.444 3.348 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000567763767 459164067 /nfs/dbraw/zinc/16/40/67/459164067.db2.gz PDANODNWGOLJMH-UYAOXDASSA-N 2 2 326.488 3.445 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000567763767 459164070 /nfs/dbraw/zinc/16/40/70/459164070.db2.gz PDANODNWGOLJMH-UYAOXDASSA-N 2 2 326.488 3.445 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000496412408 459183363 /nfs/dbraw/zinc/18/33/63/459183363.db2.gz BITBUPLECABQOU-HZPDHXFCSA-N 2 2 344.459 3.260 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(Cl)cc3)c2cc1C ZINC000558724886 459205028 /nfs/dbraw/zinc/20/50/28/459205028.db2.gz ILBGVJFSROHSNN-QGZVFWFLSA-N 2 2 343.858 3.457 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+](C)C ZINC000480648197 459210697 /nfs/dbraw/zinc/21/06/97/459210697.db2.gz MXOOFODJUBXCHG-CEWLAPEOSA-N 2 2 347.547 3.014 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCCc3cccc(C)c3)CC2)c1 ZINC000480684505 459212237 /nfs/dbraw/zinc/21/22/37/459212237.db2.gz OYWLEOWWBKOSCO-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)c2ccccc21 ZINC000568154002 459234413 /nfs/dbraw/zinc/23/44/13/459234413.db2.gz BGNGAPCAPYMXDT-PMACEKPBSA-N 2 2 335.451 3.043 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000582010805 459292231 /nfs/dbraw/zinc/29/22/31/459292231.db2.gz DMRKWPWDFBWJHO-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000582010805 459292236 /nfs/dbraw/zinc/29/22/36/459292236.db2.gz DMRKWPWDFBWJHO-IBGZPJMESA-N 2 2 348.450 3.384 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000482442901 459308985 /nfs/dbraw/zinc/30/89/85/459308985.db2.gz ZQTLSGQLRMATDT-UHFFFAOYSA-N 2 2 338.879 3.338 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)c[nH+]1 ZINC000534326459 459313805 /nfs/dbraw/zinc/31/38/05/459313805.db2.gz SCRRWBMFCXRQAQ-KRWDZBQOSA-N 2 2 340.471 3.152 20 0 EGADLP Cc1cc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)c[nH+]1 ZINC000534326459 459313811 /nfs/dbraw/zinc/31/38/11/459313811.db2.gz SCRRWBMFCXRQAQ-KRWDZBQOSA-N 2 2 340.471 3.152 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)n1cc[nH+]c1 ZINC000582304461 459342933 /nfs/dbraw/zinc/34/29/33/459342933.db2.gz PJCCSXAHDWXXOU-MRXNPFEDSA-N 2 2 326.444 3.111 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514554 459377468 /nfs/dbraw/zinc/37/74/68/459377468.db2.gz QWMZRUJVODXQIZ-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(F)cc1Br ZINC000582514554 459377473 /nfs/dbraw/zinc/37/74/73/459377473.db2.gz QWMZRUJVODXQIZ-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(F)cc1Br ZINC000582514554 459377477 /nfs/dbraw/zinc/37/74/77/459377477.db2.gz QWMZRUJVODXQIZ-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1Br ZINC000582514554 459377482 /nfs/dbraw/zinc/37/74/82/459377482.db2.gz QWMZRUJVODXQIZ-NHYWBVRUSA-N 2 2 329.257 3.360 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000568998662 459378976 /nfs/dbraw/zinc/37/89/76/459378976.db2.gz JREYBVJVFJXCSP-PBHICJAKSA-N 2 2 326.444 3.287 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)ccc2n1C ZINC000524698921 459380511 /nfs/dbraw/zinc/38/05/11/459380511.db2.gz QURAUDBTINCQQH-CQSZACIVSA-N 2 2 348.450 3.267 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)ccc2n1C ZINC000524698921 459380518 /nfs/dbraw/zinc/38/05/18/459380518.db2.gz QURAUDBTINCQQH-CQSZACIVSA-N 2 2 348.450 3.267 20 0 EGADLP CC(C)[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1Cl ZINC000582660297 459403987 /nfs/dbraw/zinc/40/39/87/459403987.db2.gz FNFCROPZUCLEEU-KRWDZBQOSA-N 2 2 347.894 3.412 20 0 EGADLP CSC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000591581293 459405885 /nfs/dbraw/zinc/40/58/85/459405885.db2.gz PLYPOBIZQAFECM-MELADBBJSA-N 2 2 336.398 3.399 20 0 EGADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000582796768 459430102 /nfs/dbraw/zinc/43/01/02/459430102.db2.gz YTNXCRXAOLLGCR-UHFFFAOYSA-N 2 2 342.458 3.429 20 0 EGADLP Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000484990594 459437633 /nfs/dbraw/zinc/43/76/33/459437633.db2.gz AAZAAYUUXLDIPV-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP Cc1cc(C)cc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000484990594 459437642 /nfs/dbraw/zinc/43/76/42/459437642.db2.gz AAZAAYUUXLDIPV-HXUWFJFHSA-N 2 2 346.515 3.117 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591866922 459457161 /nfs/dbraw/zinc/45/71/61/459457161.db2.gz JTPLZQRYFBTMAP-GDBMZVCRSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591866922 459457165 /nfs/dbraw/zinc/45/71/65/459457165.db2.gz JTPLZQRYFBTMAP-GDBMZVCRSA-N 2 2 344.484 3.269 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596059872 459504889 /nfs/dbraw/zinc/50/48/89/459504889.db2.gz VEDGMFJTMSEKCI-CQSZACIVSA-N 2 2 325.547 3.218 20 0 EGADLP CSCc1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596059872 459504894 /nfs/dbraw/zinc/50/48/94/459504894.db2.gz VEDGMFJTMSEKCI-CQSZACIVSA-N 2 2 325.547 3.218 20 0 EGADLP Brc1ccc2[nH+]c(CSCC3CC[NH2+]CC3)cn2c1 ZINC000592174599 459543591 /nfs/dbraw/zinc/54/35/91/459543591.db2.gz OJBSTZWEZSVWQU-UHFFFAOYSA-N 2 2 340.290 3.330 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478854 459569843 /nfs/dbraw/zinc/56/98/43/459569843.db2.gz PQGNOZNRQUTTQC-OAHLLOKOSA-N 2 2 342.936 3.209 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000562478854 459569846 /nfs/dbraw/zinc/56/98/46/459569846.db2.gz PQGNOZNRQUTTQC-OAHLLOKOSA-N 2 2 342.936 3.209 20 0 EGADLP CCc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)on1 ZINC000562580515 459591934 /nfs/dbraw/zinc/59/19/34/459591934.db2.gz ABCIZABAAOUUGU-UHFFFAOYSA-N 2 2 331.435 3.173 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C[C@H](C)O1 ZINC000562652280 459612275 /nfs/dbraw/zinc/61/22/75/459612275.db2.gz OFESCJXQKYLVEM-FVQHAEBGSA-N 2 2 326.550 3.284 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675295 459694837 /nfs/dbraw/zinc/69/48/37/459694837.db2.gz RYJBDVIGDCEQQE-BXUZGUMPSA-N 2 2 328.378 3.429 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000527675295 459694840 /nfs/dbraw/zinc/69/48/40/459694840.db2.gz RYJBDVIGDCEQQE-BXUZGUMPSA-N 2 2 328.378 3.429 20 0 EGADLP C[C@H](C[N@H+](C)C1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501133633 459714104 /nfs/dbraw/zinc/71/41/04/459714104.db2.gz KZPTXOQGBDZZPV-CQSZACIVSA-N 2 2 344.421 3.197 20 0 EGADLP C[C@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501133633 459714110 /nfs/dbraw/zinc/71/41/10/459714110.db2.gz KZPTXOQGBDZZPV-CQSZACIVSA-N 2 2 344.421 3.197 20 0 EGADLP c1csc(N2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)CC2)n1 ZINC000527752344 459724571 /nfs/dbraw/zinc/72/45/71/459724571.db2.gz LOAVBGITPXAGHA-QGZVFWFLSA-N 2 2 334.533 3.109 20 0 EGADLP c1csc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)CC2)n1 ZINC000527752344 459724580 /nfs/dbraw/zinc/72/45/80/459724580.db2.gz LOAVBGITPXAGHA-QGZVFWFLSA-N 2 2 334.533 3.109 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c[nH+]1 ZINC000573776088 459731585 /nfs/dbraw/zinc/73/15/85/459731585.db2.gz MWJZKZCUBPWPQJ-LJQANCHMSA-N 2 2 344.503 3.295 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c[nH+]1 ZINC000573776088 459731589 /nfs/dbraw/zinc/73/15/89/459731589.db2.gz MWJZKZCUBPWPQJ-LJQANCHMSA-N 2 2 344.503 3.295 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c2[nH+]ccn21 ZINC000584573527 459769835 /nfs/dbraw/zinc/76/98/35/459769835.db2.gz DZTYXSPYXIAKJA-JLZZUVOBSA-N 2 2 339.443 3.260 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000566064137 459800039 /nfs/dbraw/zinc/80/00/39/459800039.db2.gz BAYVUHLOTBVDNA-CWFSZBLJSA-N 2 2 330.447 3.010 20 0 EGADLP CCCC[C@@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000545242306 459814810 /nfs/dbraw/zinc/81/48/10/459814810.db2.gz YFDGGKWHXVZWRR-OAHLLOKOSA-N 2 2 330.476 3.428 20 0 EGADLP c1snnc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000585116133 459826177 /nfs/dbraw/zinc/82/61/77/459826177.db2.gz IFFBXUAGPOGTRV-UHFFFAOYSA-N 2 2 342.512 3.416 20 0 EGADLP C[C@H]([NH3+])C[C@H](C)NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000566257684 459830576 /nfs/dbraw/zinc/83/05/76/459830576.db2.gz LJPDEKZHNFAKLE-GJZGRUSLSA-N 2 2 342.487 3.326 20 0 EGADLP c1ccc(CSCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585717029 459836346 /nfs/dbraw/zinc/83/63/46/459836346.db2.gz VTBJYVCHEWCLSG-FQEVSTJZSA-N 2 2 348.556 3.497 20 0 EGADLP c1ccc(CSCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000585717029 459836350 /nfs/dbraw/zinc/83/63/50/459836350.db2.gz VTBJYVCHEWCLSG-FQEVSTJZSA-N 2 2 348.556 3.497 20 0 EGADLP c1cn(-c2ccc(C[NH+]3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)cc2)c[nH+]1 ZINC000585748363 459840801 /nfs/dbraw/zinc/84/08/01/459840801.db2.gz BDGKRJIDUNLUDP-PMACEKPBSA-N 2 2 344.462 3.441 20 0 EGADLP Cc1ccc(Cc2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000545639976 459843012 /nfs/dbraw/zinc/84/30/12/459843012.db2.gz MTHLTPVAMMIJST-SFHVURJKSA-N 2 2 349.438 3.138 20 0 EGADLP Cc1ccc(Cc2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000545639976 459843020 /nfs/dbraw/zinc/84/30/20/459843020.db2.gz MTHLTPVAMMIJST-SFHVURJKSA-N 2 2 349.438 3.138 20 0 EGADLP Cn1c2ccc(CNC(=O)C[C@H]([NH3+])c3ccccc3)cc2[nH+]c1C1CC1 ZINC000574915186 459893744 /nfs/dbraw/zinc/89/37/44/459893744.db2.gz HLFFLOWRZADGIH-KRWDZBQOSA-N 2 2 348.450 3.157 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@H+](Cc2ccccc2)C1 ZINC000575219243 459951856 /nfs/dbraw/zinc/95/18/56/459951856.db2.gz ZTYJRRQBPIUKTJ-WJMWBRGCSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000575219243 459951862 /nfs/dbraw/zinc/95/18/62/459951862.db2.gz ZTYJRRQBPIUKTJ-WJMWBRGCSA-N 2 2 330.516 3.285 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000588690623 459971356 /nfs/dbraw/zinc/97/13/56/459971356.db2.gz GTGGFXTZNOSMBX-JXFKEZNVSA-N 2 2 344.886 3.410 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000588690623 459971359 /nfs/dbraw/zinc/97/13/59/459971359.db2.gz GTGGFXTZNOSMBX-JXFKEZNVSA-N 2 2 344.886 3.410 20 0 EGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690438 459971800 /nfs/dbraw/zinc/97/18/00/459971800.db2.gz YFLBHNCMRNUGND-IEBWSBKVSA-N 2 2 342.483 3.147 20 0 EGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690438 459971808 /nfs/dbraw/zinc/97/18/08/459971808.db2.gz YFLBHNCMRNUGND-IEBWSBKVSA-N 2 2 342.483 3.147 20 0 EGADLP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000621641380 459994443 /nfs/dbraw/zinc/99/44/43/459994443.db2.gz IFDUYXYNBLXQDN-HNNXBMFYSA-N 2 2 340.471 3.481 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000576356926 460125061 /nfs/dbraw/zinc/12/50/61/460125061.db2.gz JAQBXKAFERVHCR-IBGZPJMESA-N 2 2 337.471 3.467 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000576356926 460125065 /nfs/dbraw/zinc/12/50/65/460125065.db2.gz JAQBXKAFERVHCR-IBGZPJMESA-N 2 2 337.471 3.467 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000599043960 460138019 /nfs/dbraw/zinc/13/80/19/460138019.db2.gz QKPCSFMCXNNJJY-LJQPEZLNSA-N 2 2 332.488 3.389 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)ccn12 ZINC000576647390 460186404 /nfs/dbraw/zinc/18/64/04/460186404.db2.gz CNHYEQBUUVCYNX-KXBFYZLASA-N 2 2 336.439 3.064 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000610992487 460273241 /nfs/dbraw/zinc/27/32/41/460273241.db2.gz JKGAHZOXMLNAPG-SFHVURJKSA-N 2 2 327.428 3.285 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000610992487 460273243 /nfs/dbraw/zinc/27/32/43/460273243.db2.gz JKGAHZOXMLNAPG-SFHVURJKSA-N 2 2 327.428 3.285 20 0 EGADLP Cc1noc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000615316397 460308623 /nfs/dbraw/zinc/30/86/23/460308623.db2.gz SYKNFQDLSJYMAC-CABCVRRESA-N 2 2 328.460 3.461 20 0 EGADLP Cc1noc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000615316397 460308628 /nfs/dbraw/zinc/30/86/28/460308628.db2.gz SYKNFQDLSJYMAC-CABCVRRESA-N 2 2 328.460 3.461 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000623088725 460408533 /nfs/dbraw/zinc/40/85/33/460408533.db2.gz AEMLATQZYWHRQO-UHFFFAOYSA-N 2 2 334.414 3.143 20 0 EGADLP c1ccc2c(NCc3cc[nH+]c(N4CCSCC4)c3)cc[nH+]c2c1 ZINC000631508039 460417427 /nfs/dbraw/zinc/41/74/27/460417427.db2.gz PUVJRIWKCCNVLS-UHFFFAOYSA-N 2 2 336.464 3.217 20 0 EGADLP c1cnc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCSCC3)CCCC1)CCC2 ZINC000631566901 460447177 /nfs/dbraw/zinc/44/71/77/460447177.db2.gz UGWKAJSYNDINEG-SFHVURJKSA-N 2 2 331.529 3.410 20 0 EGADLP Cc1cc(C)c(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)c[nH+]1 ZINC000616115344 460475302 /nfs/dbraw/zinc/47/53/02/460475302.db2.gz JLKAWHYFEBFKJU-UHFFFAOYSA-N 2 2 348.450 3.098 20 0 EGADLP Cc1cc(C)c(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)c[nH+]1 ZINC000616115344 460475305 /nfs/dbraw/zinc/47/53/05/460475305.db2.gz JLKAWHYFEBFKJU-UHFFFAOYSA-N 2 2 348.450 3.098 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ncc1Br ZINC000623403757 460529881 /nfs/dbraw/zinc/52/98/81/460529881.db2.gz GRFRXPNIIQKSER-AWEZNQCLSA-N 2 2 340.309 3.363 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ncc1Br ZINC000623403757 460529886 /nfs/dbraw/zinc/52/98/86/460529886.db2.gz GRFRXPNIIQKSER-AWEZNQCLSA-N 2 2 340.309 3.363 20 0 EGADLP c1nc2c(s1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000623867381 460752008 /nfs/dbraw/zinc/75/20/08/460752008.db2.gz ZPFAMUGYUJFXLY-QGZVFWFLSA-N 2 2 343.496 3.143 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000623898026 460767007 /nfs/dbraw/zinc/76/70/07/460767007.db2.gz XNRIMCHJAPDISF-OLZOCXBDSA-N 2 2 348.384 3.463 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410776 460775219 /nfs/dbraw/zinc/77/52/19/460775219.db2.gz DPKSWTFNSVPZHE-VQIMIIECSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410776 460775224 /nfs/dbraw/zinc/77/52/24/460775224.db2.gz DPKSWTFNSVPZHE-VQIMIIECSA-N 2 2 348.450 3.208 20 0 EGADLP CC(C)C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC000635448037 460789918 /nfs/dbraw/zinc/78/99/18/460789918.db2.gz VVIZMDBDZACTKP-IBGZPJMESA-N 2 2 346.519 3.241 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000623957503 460796316 /nfs/dbraw/zinc/79/63/16/460796316.db2.gz LHSZOMVPTNVMDV-QAPCUYQASA-N 2 2 345.512 3.259 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000623957503 460796323 /nfs/dbraw/zinc/79/63/23/460796323.db2.gz LHSZOMVPTNVMDV-QAPCUYQASA-N 2 2 345.512 3.259 20 0 EGADLP C[C@@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)C1CC[NH+](C)CC1 ZINC000623969304 460803121 /nfs/dbraw/zinc/80/31/21/460803121.db2.gz AOVGCQXUVSNEQA-LLVKDONJSA-N 2 2 327.407 3.392 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc2ccccc2c1 ZINC000629550449 460804736 /nfs/dbraw/zinc/80/47/36/460804736.db2.gz MOBRKIVHJASINU-UZLBHIALSA-N 2 2 326.484 3.474 20 0 EGADLP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+][C@@H]1CC[NH2+]C1 ZINC000629553314 460806142 /nfs/dbraw/zinc/80/61/42/460806142.db2.gz ILVDCVDPIXLUIG-PXWWUCIGSA-N 2 2 327.291 3.184 20 0 EGADLP CN(C(=O)CCCC1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477218 460817722 /nfs/dbraw/zinc/81/77/22/460817722.db2.gz GSGWFOJCCPYPHO-HXUWFJFHSA-N 2 2 349.563 3.364 20 0 EGADLP CN(C(=O)CCCC1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477218 460817727 /nfs/dbraw/zinc/81/77/27/460817727.db2.gz GSGWFOJCCPYPHO-HXUWFJFHSA-N 2 2 349.563 3.364 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2F)CC[C@H]1C(F)(F)F ZINC000629655524 460848725 /nfs/dbraw/zinc/84/87/25/460848725.db2.gz LHSLYHRFOXKHKK-GNFMIWQISA-N 2 2 334.332 3.437 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CC[C@H]1C(F)(F)F ZINC000629655524 460848730 /nfs/dbraw/zinc/84/87/30/460848730.db2.gz LHSLYHRFOXKHKK-GNFMIWQISA-N 2 2 334.332 3.437 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120894 460869662 /nfs/dbraw/zinc/86/96/62/460869662.db2.gz JNXXXBWXAQQDKF-GDBMZVCRSA-N 2 2 345.466 3.097 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120894 460869667 /nfs/dbraw/zinc/86/96/67/460869667.db2.gz JNXXXBWXAQQDKF-GDBMZVCRSA-N 2 2 345.466 3.097 20 0 EGADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000629730929 460893001 /nfs/dbraw/zinc/89/30/01/460893001.db2.gz BFEGNLJLOQSRSP-UHFFFAOYSA-N 2 2 336.414 3.147 20 0 EGADLP CN(C)c1c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000628181628 461035643 /nfs/dbraw/zinc/03/56/43/461035643.db2.gz JYQLKBNZUPJVJL-MRXNPFEDSA-N 2 2 337.458 3.481 20 0 EGADLP CN(C)c1c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000628181628 461035651 /nfs/dbraw/zinc/03/56/51/461035651.db2.gz JYQLKBNZUPJVJL-MRXNPFEDSA-N 2 2 337.458 3.481 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ncc1Br ZINC000628190585 461042585 /nfs/dbraw/zinc/04/25/85/461042585.db2.gz KKDIJXOYCFNLQY-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000628190585 461042587 /nfs/dbraw/zinc/04/25/87/461042587.db2.gz KKDIJXOYCFNLQY-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190585 461042593 /nfs/dbraw/zinc/04/25/93/461042593.db2.gz KKDIJXOYCFNLQY-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190585 461042597 /nfs/dbraw/zinc/04/25/97/461042597.db2.gz KKDIJXOYCFNLQY-XJKSGUPXSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(C[NH2+]Cc2ccccc2)nn1 ZINC000641111211 461114623 /nfs/dbraw/zinc/11/46/23/461114623.db2.gz AECZYQWTEWTLKY-UHFFFAOYSA-N 2 2 335.455 3.443 20 0 EGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000641111744 461117271 /nfs/dbraw/zinc/11/72/71/461117271.db2.gz GCMCPXPDXQVVHC-IBGZPJMESA-N 2 2 335.455 3.396 20 0 EGADLP CCCC[NH+]1CCC(NC(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668155417 461141282 /nfs/dbraw/zinc/14/12/82/461141282.db2.gz OJVVFHWJLXJEFX-UHFFFAOYSA-N 2 2 329.448 3.029 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@H]1CC[NH3+] ZINC000652355935 461148957 /nfs/dbraw/zinc/14/89/57/461148957.db2.gz NJGLAJXZGWUJJW-BBRMVZONSA-N 2 2 347.894 3.085 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@H]1CC[NH3+] ZINC000652355935 461148965 /nfs/dbraw/zinc/14/89/65/461148965.db2.gz NJGLAJXZGWUJJW-BBRMVZONSA-N 2 2 347.894 3.085 20 0 EGADLP Brc1c2ccccc2oc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662273887 461160488 /nfs/dbraw/zinc/16/04/88/461160488.db2.gz QJPSAOXXLKCCHN-DGCLKSJQSA-N 2 2 335.245 3.379 20 0 EGADLP Brc1c2ccccc2oc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662273887 461160498 /nfs/dbraw/zinc/16/04/98/461160498.db2.gz QJPSAOXXLKCCHN-DGCLKSJQSA-N 2 2 335.245 3.379 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCc2nsc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000662280383 461162071 /nfs/dbraw/zinc/16/20/71/461162071.db2.gz CZGACHMXPGQUBV-DLBZAZTESA-N 2 2 341.455 3.405 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCc2nsc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000662280383 461162082 /nfs/dbraw/zinc/16/20/82/461162082.db2.gz CZGACHMXPGQUBV-DLBZAZTESA-N 2 2 341.455 3.405 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000646291666 461174150 /nfs/dbraw/zinc/17/41/50/461174150.db2.gz ZQOONXAVOVQPKT-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000668286903 461227987 /nfs/dbraw/zinc/22/79/87/461227987.db2.gz RFTDCQLETXJZHY-KRWDZBQOSA-N 2 2 325.456 3.435 20 0 EGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1 ZINC000668286903 461227996 /nfs/dbraw/zinc/22/79/96/461227996.db2.gz RFTDCQLETXJZHY-KRWDZBQOSA-N 2 2 325.456 3.435 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108901 461242718 /nfs/dbraw/zinc/24/27/18/461242718.db2.gz BUFMQGFGPRBWHF-IEBWSBKVSA-N 2 2 334.504 3.143 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108901 461242732 /nfs/dbraw/zinc/24/27/32/461242732.db2.gz BUFMQGFGPRBWHF-IEBWSBKVSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108901 461242739 /nfs/dbraw/zinc/24/27/39/461242739.db2.gz BUFMQGFGPRBWHF-IEBWSBKVSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCCCO)C[C@H]1C ZINC000638108901 461242749 /nfs/dbraw/zinc/24/27/49/461242749.db2.gz BUFMQGFGPRBWHF-IEBWSBKVSA-N 2 2 334.504 3.143 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442507 461253053 /nfs/dbraw/zinc/25/30/53/461253053.db2.gz RYOSQHJSETYXRL-FOIQADDNSA-N 2 2 338.455 3.091 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2[nH+]1 ZINC000655444316 461254837 /nfs/dbraw/zinc/25/48/37/461254837.db2.gz AWPZCSVZPURUGB-LIRRHRJNSA-N 2 2 326.444 3.234 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000649680889 461271252 /nfs/dbraw/zinc/27/12/52/461271252.db2.gz BNXYUMNTZQNJJS-OKZBNKHCSA-N 2 2 326.488 3.175 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000649680889 461271256 /nfs/dbraw/zinc/27/12/56/461271256.db2.gz BNXYUMNTZQNJJS-OKZBNKHCSA-N 2 2 326.488 3.175 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)ccc1F ZINC000649728626 461307648 /nfs/dbraw/zinc/30/76/48/461307648.db2.gz DSHPSSMTAHLFPD-APWZRJJASA-N 2 2 330.447 3.278 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)ccc1F ZINC000649728626 461307657 /nfs/dbraw/zinc/30/76/57/461307657.db2.gz DSHPSSMTAHLFPD-APWZRJJASA-N 2 2 330.447 3.278 20 0 EGADLP CC[NH+]1CCN(c2ccccc2N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000638208923 461310712 /nfs/dbraw/zinc/31/07/12/461310712.db2.gz WSPSECXAOVCNPO-IBGZPJMESA-N 2 2 339.487 3.125 20 0 EGADLP Cc1ccncc1CNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000641778424 461367909 /nfs/dbraw/zinc/36/79/09/461367909.db2.gz PDAVXPDQAROZCM-UHFFFAOYSA-N 2 2 346.438 3.061 20 0 EGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCn4ccnc43)C2)c1 ZINC000655703447 461374622 /nfs/dbraw/zinc/37/46/22/461374622.db2.gz GNHBBWLFJOLXER-WBVHZDCISA-N 2 2 330.501 3.281 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCCn4ccnc43)C2)c1 ZINC000655703447 461374623 /nfs/dbraw/zinc/37/46/23/461374623.db2.gz GNHBBWLFJOLXER-WBVHZDCISA-N 2 2 330.501 3.281 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000655708909 461379722 /nfs/dbraw/zinc/37/97/22/461379722.db2.gz PPEYFLAHDXWTRS-LEWJYISDSA-N 2 2 337.467 3.014 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)cs2)c1OC ZINC000641801202 461380805 /nfs/dbraw/zinc/38/08/05/461380805.db2.gz AZIIRRZELFRQGC-GJZGRUSLSA-N 2 2 347.484 3.043 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000668738835 461410617 /nfs/dbraw/zinc/41/06/17/461410617.db2.gz GTEKVQGXBVHHRP-AWEZNQCLSA-N 2 2 334.847 3.117 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)C1 ZINC000668738835 461410622 /nfs/dbraw/zinc/41/06/22/461410622.db2.gz GTEKVQGXBVHHRP-AWEZNQCLSA-N 2 2 334.847 3.117 20 0 EGADLP Fc1cc(F)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000655772469 461437963 /nfs/dbraw/zinc/43/79/63/461437963.db2.gz WTQZPMUBZIDSEW-HNAYVOBHSA-N 2 2 336.426 3.185 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086391 461449301 /nfs/dbraw/zinc/44/93/01/461449301.db2.gz JRKDBZGYBCMAAZ-IEBWSBKVSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000666086391 461449309 /nfs/dbraw/zinc/44/93/09/461449309.db2.gz JRKDBZGYBCMAAZ-IEBWSBKVSA-N 2 2 338.499 3.392 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527349 461468448 /nfs/dbraw/zinc/46/84/48/461468448.db2.gz PQGUSWVYIHSVEJ-QUCCMNQESA-N 2 2 341.499 3.003 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527349 461468453 /nfs/dbraw/zinc/46/84/53/461468453.db2.gz PQGUSWVYIHSVEJ-QUCCMNQESA-N 2 2 341.499 3.003 20 0 EGADLP Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000668846390 461469368 /nfs/dbraw/zinc/46/93/68/461469368.db2.gz ZILBMAGBBDBRCR-UHFFFAOYSA-N 2 2 341.484 3.252 20 0 EGADLP Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC000668846390 461469369 /nfs/dbraw/zinc/46/93/69/461469369.db2.gz ZILBMAGBBDBRCR-UHFFFAOYSA-N 2 2 341.484 3.252 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000653086285 461494953 /nfs/dbraw/zinc/49/49/53/461494953.db2.gz MNHNVUGGYOWPRA-INIZCTEOSA-N 2 2 349.837 3.364 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655850289 461498086 /nfs/dbraw/zinc/49/80/86/461498086.db2.gz UEBNLYXFFOWJGH-RYQLBKOJSA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655850289 461498091 /nfs/dbraw/zinc/49/80/91/461498091.db2.gz UEBNLYXFFOWJGH-RYQLBKOJSA-N 2 2 332.488 3.241 20 0 EGADLP CC[C@@](C)(C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)OC ZINC000638639600 461513804 /nfs/dbraw/zinc/51/38/04/461513804.db2.gz LQENFRQDDHEZQU-MJGOQNOKSA-N 2 2 334.504 3.291 20 0 EGADLP CO[C@](C)(C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000638639163 461514498 /nfs/dbraw/zinc/51/44/98/461514498.db2.gz IULICXTVMFXKLK-YLJYHZDGSA-N 2 2 346.515 3.291 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638721992 461548849 /nfs/dbraw/zinc/54/88/49/461548849.db2.gz YZLPEWHJOPAEHA-LSTHTHJFSA-N 2 2 338.499 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638721992 461548854 /nfs/dbraw/zinc/54/88/54/461548854.db2.gz YZLPEWHJOPAEHA-LSTHTHJFSA-N 2 2 338.499 3.371 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197654 461558973 /nfs/dbraw/zinc/55/89/73/461558973.db2.gz HEFZONJQLBVSIF-MBMVNNNZSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CO1 ZINC000647197654 461558983 /nfs/dbraw/zinc/55/89/83/461558983.db2.gz HEFZONJQLBVSIF-MBMVNNNZSA-N 2 2 326.843 3.239 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000631122640 461569974 /nfs/dbraw/zinc/56/99/74/461569974.db2.gz VFIDOTMTIVJWRW-IBGZPJMESA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000631122640 461569979 /nfs/dbraw/zinc/56/99/79/461569979.db2.gz VFIDOTMTIVJWRW-IBGZPJMESA-N 2 2 343.515 3.271 20 0 EGADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000663346966 461575600 /nfs/dbraw/zinc/57/56/00/461575600.db2.gz YUPCISITAGJBCA-KRWDZBQOSA-N 2 2 326.488 3.268 20 0 EGADLP CCn1nc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000663346966 461575616 /nfs/dbraw/zinc/57/56/16/461575616.db2.gz YUPCISITAGJBCA-KRWDZBQOSA-N 2 2 326.488 3.268 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cn21 ZINC000647262624 461597451 /nfs/dbraw/zinc/59/74/51/461597451.db2.gz HHDQONSUKPBPRK-UWJYYQICSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cn21 ZINC000647262624 461597458 /nfs/dbraw/zinc/59/74/58/461597458.db2.gz HHDQONSUKPBPRK-UWJYYQICSA-N 2 2 348.494 3.295 20 0 EGADLP CCn1nc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c2ccccc21 ZINC000647262925 461599617 /nfs/dbraw/zinc/59/96/17/461599617.db2.gz YRIMNVCPORKLMO-UHFFFAOYSA-N 2 2 333.439 3.345 20 0 EGADLP Nc1cccc2c1cc[nH+]c2NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000663381004 461603705 /nfs/dbraw/zinc/60/37/05/461603705.db2.gz DJFCOMFCLJGSML-FQEVSTJZSA-N 2 2 348.450 3.302 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000660203708 461637552 /nfs/dbraw/zinc/63/75/52/461637552.db2.gz UVXNLNSFUGBCHY-OAHLLOKOSA-N 2 2 326.431 3.025 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000660203708 461637559 /nfs/dbraw/zinc/63/75/59/461637559.db2.gz UVXNLNSFUGBCHY-OAHLLOKOSA-N 2 2 326.431 3.025 20 0 EGADLP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000656202069 461645588 /nfs/dbraw/zinc/64/55/88/461645588.db2.gz XBPRICFFURBVTK-WBAXXEDZSA-N 2 2 326.440 3.067 20 0 EGADLP c1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466153 461654726 /nfs/dbraw/zinc/65/47/26/461654726.db2.gz OOXNPYDOSJSOJJ-WIYYLYMNSA-N 2 2 336.483 3.278 20 0 EGADLP c1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2cncnc2)cc1 ZINC000663466153 461654730 /nfs/dbraw/zinc/65/47/30/461654730.db2.gz OOXNPYDOSJSOJJ-WIYYLYMNSA-N 2 2 336.483 3.278 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]CCc3cn4c(cccc4C)[nH+]3)c(C)n2n1 ZINC000647363762 461659107 /nfs/dbraw/zinc/65/91/07/461659107.db2.gz JJPXHCBYUYAUBF-OAHLLOKOSA-N 2 2 348.454 3.196 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000656252356 461674501 /nfs/dbraw/zinc/67/45/01/461674501.db2.gz TXBLWJAXEXCQEU-OAHLLOKOSA-N 2 2 332.879 3.218 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000656252356 461674502 /nfs/dbraw/zinc/67/45/02/461674502.db2.gz TXBLWJAXEXCQEU-OAHLLOKOSA-N 2 2 332.879 3.218 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000663508493 461677664 /nfs/dbraw/zinc/67/76/64/461677664.db2.gz BBYPWRGCENFSSL-CQSZACIVSA-N 2 2 332.419 3.111 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000656262187 461686546 /nfs/dbraw/zinc/68/65/46/461686546.db2.gz PZFACYRWMQJTLO-JWTNVVGKSA-N 2 2 342.462 3.377 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000656262187 461686552 /nfs/dbraw/zinc/68/65/52/461686552.db2.gz PZFACYRWMQJTLO-JWTNVVGKSA-N 2 2 342.462 3.377 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000656262187 461686558 /nfs/dbraw/zinc/68/65/58/461686558.db2.gz PZFACYRWMQJTLO-JWTNVVGKSA-N 2 2 342.462 3.377 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000656262187 461686562 /nfs/dbraw/zinc/68/65/62/461686562.db2.gz PZFACYRWMQJTLO-JWTNVVGKSA-N 2 2 342.462 3.377 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)c1 ZINC000653509372 461687526 /nfs/dbraw/zinc/68/75/26/461687526.db2.gz DFUHSHMLLSSOBP-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)c1 ZINC000653509372 461687533 /nfs/dbraw/zinc/68/75/33/461687533.db2.gz DFUHSHMLLSSOBP-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP Cc1ncc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082196 461716857 /nfs/dbraw/zinc/71/68/57/461716857.db2.gz XVVRXYSFIOZWKI-APWZRJJASA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082196 461716865 /nfs/dbraw/zinc/71/68/65/461716865.db2.gz XVVRXYSFIOZWKI-APWZRJJASA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082196 461716874 /nfs/dbraw/zinc/71/68/74/461716874.db2.gz XVVRXYSFIOZWKI-APWZRJJASA-N 2 2 339.487 3.003 20 0 EGADLP Cc1ncc([C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)n1 ZINC000639082196 461716883 /nfs/dbraw/zinc/71/68/83/461716883.db2.gz XVVRXYSFIOZWKI-APWZRJJASA-N 2 2 339.487 3.003 20 0 EGADLP CC(=O)c1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)on1 ZINC000653569947 461727697 /nfs/dbraw/zinc/72/76/97/461727697.db2.gz TXKZLQZYOUGFMH-OAHLLOKOSA-N 2 2 333.476 3.354 20 0 EGADLP CC(=O)c1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)on1 ZINC000653569947 461727703 /nfs/dbraw/zinc/72/77/03/461727703.db2.gz TXKZLQZYOUGFMH-OAHLLOKOSA-N 2 2 333.476 3.354 20 0 EGADLP Fc1ccc(Br)cc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482911 461730664 /nfs/dbraw/zinc/73/06/64/461730664.db2.gz JAECGYXHYRHCJV-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(Br)cc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647482911 461730669 /nfs/dbraw/zinc/73/06/69/461730669.db2.gz JAECGYXHYRHCJV-UHFFFAOYSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483857 461732218 /nfs/dbraw/zinc/73/22/18/461732218.db2.gz XOUJNYCOBDFPER-KBXCAEBGSA-N 2 2 332.879 3.287 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483857 461732224 /nfs/dbraw/zinc/73/22/24/461732224.db2.gz XOUJNYCOBDFPER-KBXCAEBGSA-N 2 2 332.879 3.287 20 0 EGADLP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639114023 461736443 /nfs/dbraw/zinc/73/64/43/461736443.db2.gz CHKWKMKLOOBSPW-GOSISDBHSA-N 2 2 339.487 3.284 20 0 EGADLP COc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000639114058 461737263 /nfs/dbraw/zinc/73/72/63/461737263.db2.gz DEZUXVJIYZKCLQ-UHFFFAOYSA-N 2 2 332.473 3.064 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480207 461740675 /nfs/dbraw/zinc/74/06/75/461740675.db2.gz FTOPEMDQMNLFQY-OFOKGCAXSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480207 461740683 /nfs/dbraw/zinc/74/06/83/461740683.db2.gz FTOPEMDQMNLFQY-OFOKGCAXSA-N 3 2 327.516 3.017 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000643537216 461757535 /nfs/dbraw/zinc/75/75/35/461757535.db2.gz BETGWTZMYWARPS-KCQAQPDRSA-N 2 2 327.241 3.116 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+]Cc2ccc(N)nc2)c2cccs2)CC1 ZINC000647550227 461762422 /nfs/dbraw/zinc/76/24/22/461762422.db2.gz GPLFSBSSMZMMRL-MRXNPFEDSA-N 2 2 330.501 3.118 20 0 EGADLP COc1cc(Cl)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000639177522 461782326 /nfs/dbraw/zinc/78/23/26/461782326.db2.gz DZVPFOGGPVBWGL-DOMZBBRYSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000639177522 461782335 /nfs/dbraw/zinc/78/23/35/461782335.db2.gz DZVPFOGGPVBWGL-DOMZBBRYSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000639177522 461782340 /nfs/dbraw/zinc/78/23/40/461782340.db2.gz DZVPFOGGPVBWGL-DOMZBBRYSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000639177522 461782344 /nfs/dbraw/zinc/78/23/44/461782344.db2.gz DZVPFOGGPVBWGL-DOMZBBRYSA-N 2 2 326.868 3.129 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770375 461794895 /nfs/dbraw/zinc/79/48/95/461794895.db2.gz XDYJWCFLVXGOJH-CHWSQXEVSA-N 2 2 343.393 3.154 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ncccc3O)C2)s1 ZINC000653665185 461794917 /nfs/dbraw/zinc/79/49/17/461794917.db2.gz YAAMKUAJTDONPC-HNNXBMFYSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ncccc3O)C2)s1 ZINC000653665185 461794925 /nfs/dbraw/zinc/79/49/25/461794925.db2.gz YAAMKUAJTDONPC-HNNXBMFYSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ncccc3O)C2)s1 ZINC000653665185 461794931 /nfs/dbraw/zinc/79/49/31/461794931.db2.gz YAAMKUAJTDONPC-HNNXBMFYSA-N 2 2 331.485 3.111 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ncccc3O)C2)s1 ZINC000653665185 461794939 /nfs/dbraw/zinc/79/49/39/461794939.db2.gz YAAMKUAJTDONPC-HNNXBMFYSA-N 2 2 331.485 3.111 20 0 EGADLP Brc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c2ncccc12 ZINC000666770135 461795845 /nfs/dbraw/zinc/79/58/45/461795845.db2.gz MJWRJAAYJRIZBO-ZDUSSCGKSA-N 2 2 334.261 3.229 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000660474533 461800602 /nfs/dbraw/zinc/80/06/02/461800602.db2.gz JNLXAEMQQPCKOB-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1Cl ZINC000660474533 461800609 /nfs/dbraw/zinc/80/06/09/461800609.db2.gz JNLXAEMQQPCKOB-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(CO)cc(C)[nH+]2)cc1 ZINC000663783615 461804323 /nfs/dbraw/zinc/80/43/23/461804323.db2.gz ZTSKDLPZXGKLSU-LJQANCHMSA-N 2 2 341.455 3.140 20 0 EGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC([C@H]4CCC[NH2+]C4)CC3)c21 ZINC000656609849 461805405 /nfs/dbraw/zinc/80/54/05/461805405.db2.gz YFMRAZVJKLLPJO-HNNXBMFYSA-N 2 2 335.455 3.327 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000647786250 461834548 /nfs/dbraw/zinc/83/45/48/461834548.db2.gz LQOAHXSXKQVJFQ-CIAFKFPVSA-N 3 2 341.543 3.437 20 0 EGADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000643963695 461847352 /nfs/dbraw/zinc/84/73/52/461847352.db2.gz FKJDFLUNLIPKPU-WQVCFCJDSA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000643963695 461847347 /nfs/dbraw/zinc/84/73/47/461847347.db2.gz FKJDFLUNLIPKPU-WQVCFCJDSA-N 2 2 329.271 3.071 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000639316923 461857024 /nfs/dbraw/zinc/85/70/24/461857024.db2.gz NJLSEBWAWRWXEO-VQTJNVASSA-N 2 2 338.499 3.120 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000639316923 461857030 /nfs/dbraw/zinc/85/70/30/461857030.db2.gz NJLSEBWAWRWXEO-VQTJNVASSA-N 2 2 338.499 3.120 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+](C)CCC[NH3+] ZINC000647847576 461857288 /nfs/dbraw/zinc/85/72/88/461857288.db2.gz VTFYZEPMKORHNL-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCC[NH3+] ZINC000647847576 461857296 /nfs/dbraw/zinc/85/72/96/461857296.db2.gz VTFYZEPMKORHNL-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000666947063 461883710 /nfs/dbraw/zinc/88/37/10/461883710.db2.gz XKQWAPXOGVGCJD-ROUUACIJSA-N 2 2 342.462 3.015 20 0 EGADLP CC1([NH+]2CCCC2)CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000639374825 461893726 /nfs/dbraw/zinc/89/37/26/461893726.db2.gz LABJNBFNKJJQEH-UHFFFAOYSA-N 2 2 338.499 3.382 20 0 EGADLP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CC(C)(C)[NH3+])c2)cc1 ZINC000656785093 461896109 /nfs/dbraw/zinc/89/61/09/461896109.db2.gz LEMVZEBGEUOVQV-UHFFFAOYSA-N 2 2 341.455 3.117 20 0 EGADLP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CC(C)(C)[NH3+])c2)cc1 ZINC000656785093 461896113 /nfs/dbraw/zinc/89/61/13/461896113.db2.gz LEMVZEBGEUOVQV-UHFFFAOYSA-N 2 2 341.455 3.117 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995201 461902679 /nfs/dbraw/zinc/90/26/79/461902679.db2.gz GBBJETKJWYCMDI-HXUWFJFHSA-N 3 2 345.506 3.097 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654992 461905114 /nfs/dbraw/zinc/90/51/14/461905114.db2.gz JXLQMSBCMFIGPQ-HNAYVOBHSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654992 461905118 /nfs/dbraw/zinc/90/51/18/461905118.db2.gz JXLQMSBCMFIGPQ-HNAYVOBHSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654992 461905124 /nfs/dbraw/zinc/90/51/24/461905124.db2.gz JXLQMSBCMFIGPQ-HNAYVOBHSA-N 2 2 326.444 3.215 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654992 461905128 /nfs/dbraw/zinc/90/51/28/461905128.db2.gz JXLQMSBCMFIGPQ-HNAYVOBHSA-N 2 2 326.444 3.215 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000660657464 461908963 /nfs/dbraw/zinc/90/89/63/461908963.db2.gz XRMLTNSDQYCBAS-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000660657464 461908968 /nfs/dbraw/zinc/90/89/68/461908968.db2.gz XRMLTNSDQYCBAS-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000660657464 461908975 /nfs/dbraw/zinc/90/89/75/461908975.db2.gz XRMLTNSDQYCBAS-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000660657464 461908979 /nfs/dbraw/zinc/90/89/79/461908979.db2.gz XRMLTNSDQYCBAS-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661300 461911028 /nfs/dbraw/zinc/91/10/28/461911028.db2.gz CECXHMNAMWVBMV-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661300 461911033 /nfs/dbraw/zinc/91/10/33/461911033.db2.gz CECXHMNAMWVBMV-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661300 461911040 /nfs/dbraw/zinc/91/10/40/461911040.db2.gz CECXHMNAMWVBMV-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661300 461911043 /nfs/dbraw/zinc/91/10/43/461911043.db2.gz CECXHMNAMWVBMV-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697498 461928547 /nfs/dbraw/zinc/92/85/47/461928547.db2.gz GEEMZYCXHGAHOL-UHFFFAOYSA-N 2 2 347.547 3.340 20 0 EGADLP COc1ncccc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857240 461996878 /nfs/dbraw/zinc/99/68/78/461996878.db2.gz IYEYLCHORWPDHC-UHFFFAOYSA-N 2 2 336.439 3.421 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000644626506 462015828 /nfs/dbraw/zinc/01/58/28/462015828.db2.gz ZYRIAMXMVBZDPG-FUHWJXTLSA-N 2 2 330.497 3.208 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000644626506 462015831 /nfs/dbraw/zinc/01/58/31/462015831.db2.gz ZYRIAMXMVBZDPG-FUHWJXTLSA-N 2 2 330.497 3.208 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000639620186 462023299 /nfs/dbraw/zinc/02/32/99/462023299.db2.gz ZPFLUMHBCYBYIS-UHFFFAOYSA-N 2 2 349.438 3.015 20 0 EGADLP Cc1[nH]c(CNC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[nH+]c1C ZINC000657296951 462024417 /nfs/dbraw/zinc/02/44/17/462024417.db2.gz FVYWVMQBBGLCDR-LJQANCHMSA-N 2 2 326.488 3.199 20 0 EGADLP Cc1[nH]c(CNC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)[nH+]c1C ZINC000657296951 462024423 /nfs/dbraw/zinc/02/44/23/462024423.db2.gz FVYWVMQBBGLCDR-LJQANCHMSA-N 2 2 326.488 3.199 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)ccc1OC(C)C ZINC000657300848 462028686 /nfs/dbraw/zinc/02/86/86/462028686.db2.gz OEUBKIXKAKNDRP-AWEZNQCLSA-N 2 2 329.444 3.476 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3[nH]c(C)c(C)[nH+]3)C2)s1 ZINC000639633525 462030865 /nfs/dbraw/zinc/03/08/65/462030865.db2.gz ZFTHRSJZTPAHPR-MRXNPFEDSA-N 2 2 332.517 3.350 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3[nH]c(C)c(C)[nH+]3)C2)s1 ZINC000639633525 462030870 /nfs/dbraw/zinc/03/08/70/462030870.db2.gz ZFTHRSJZTPAHPR-MRXNPFEDSA-N 2 2 332.517 3.350 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657334476 462052762 /nfs/dbraw/zinc/05/27/62/462052762.db2.gz BMDHKHLQZRUJTO-IBGZPJMESA-N 2 2 326.488 3.466 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657334476 462052764 /nfs/dbraw/zinc/05/27/64/462052764.db2.gz BMDHKHLQZRUJTO-IBGZPJMESA-N 2 2 326.488 3.466 20 0 EGADLP Brc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657351487 462066074 /nfs/dbraw/zinc/06/60/74/462066074.db2.gz PBVLXACVMYGCIA-HNNXBMFYSA-N 2 2 332.245 3.369 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651138790 462103502 /nfs/dbraw/zinc/10/35/02/462103502.db2.gz RJFXADFJSMDEJE-INIZCTEOSA-N 2 2 349.523 3.308 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000651138790 462103508 /nfs/dbraw/zinc/10/35/08/462103508.db2.gz RJFXADFJSMDEJE-INIZCTEOSA-N 2 2 349.523 3.308 20 0 EGADLP Cc1c[nH]c(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)[nH+]1 ZINC000657408914 462104490 /nfs/dbraw/zinc/10/44/90/462104490.db2.gz UESAPQHVCMFYHE-UHFFFAOYSA-N 2 2 341.459 3.145 20 0 EGADLP Cc1[nH+]cc(CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1C ZINC000667482033 462105437 /nfs/dbraw/zinc/10/54/37/462105437.db2.gz PDOZXHLDTKIGOG-UHFFFAOYSA-N 2 2 326.488 3.170 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450316 462123890 /nfs/dbraw/zinc/12/38/90/462123890.db2.gz AQTPFGNZKDYMCR-MSOLQXFVSA-N 2 2 338.536 3.347 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450316 462123895 /nfs/dbraw/zinc/12/38/95/462123895.db2.gz AQTPFGNZKDYMCR-MSOLQXFVSA-N 2 2 338.536 3.347 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(-n2cccn2)c(F)c1 ZINC000657475100 462146626 /nfs/dbraw/zinc/14/66/26/462146626.db2.gz JIGCMRCCDMTMBK-CYBMUJFWSA-N 2 2 325.391 3.005 20 0 EGADLP c1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000664678774 462146977 /nfs/dbraw/zinc/14/69/77/462146977.db2.gz MLFCYHBCQXXKSR-KRWDZBQOSA-N 2 2 329.492 3.001 20 0 EGADLP c1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000664678774 462146982 /nfs/dbraw/zinc/14/69/82/462146982.db2.gz MLFCYHBCQXXKSR-KRWDZBQOSA-N 2 2 329.492 3.001 20 0 EGADLP c1nc(N2CCCCC2)cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664678774 462146987 /nfs/dbraw/zinc/14/69/87/462146987.db2.gz MLFCYHBCQXXKSR-KRWDZBQOSA-N 2 2 329.492 3.001 20 0 EGADLP c1nc(N2CCCCC2)cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664678774 462146993 /nfs/dbraw/zinc/14/69/93/462146993.db2.gz MLFCYHBCQXXKSR-KRWDZBQOSA-N 2 2 329.492 3.001 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]CCc3ccoc3)c[nH+]c12 ZINC000657653692 462218515 /nfs/dbraw/zinc/21/85/15/462218515.db2.gz NFAHTECLYFLIDO-UHFFFAOYSA-N 2 2 334.217 3.331 20 0 EGADLP Clc1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000661381843 462225711 /nfs/dbraw/zinc/22/57/11/462225711.db2.gz DUUHLZSGPHEPRW-UHFFFAOYSA-N 2 2 339.270 3.402 20 0 EGADLP CNC(=O)CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000657763212 462255551 /nfs/dbraw/zinc/25/55/51/462255551.db2.gz RNRKONCKXCTJPG-UHFFFAOYSA-N 2 2 340.471 3.049 20 0 EGADLP Cc1cc[nH+]cc1Cc1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000664981707 462269665 /nfs/dbraw/zinc/26/96/65/462269665.db2.gz OBRLLGWFAFNDCR-QGZVFWFLSA-N 2 2 349.438 3.138 20 0 EGADLP Cc1cc[nH+]cc1Cc1noc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000664981707 462269673 /nfs/dbraw/zinc/26/96/73/462269673.db2.gz OBRLLGWFAFNDCR-QGZVFWFLSA-N 2 2 349.438 3.138 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000651628662 462282105 /nfs/dbraw/zinc/28/21/05/462282105.db2.gz XYWUELUEIBSBGN-UHFFFAOYSA-N 2 2 326.488 3.452 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824480 462284506 /nfs/dbraw/zinc/28/45/06/462284506.db2.gz JLDXGWZERUYSQC-HIFRSBDPSA-N 2 2 327.419 3.027 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824480 462284509 /nfs/dbraw/zinc/28/45/09/462284509.db2.gz JLDXGWZERUYSQC-HIFRSBDPSA-N 2 2 327.419 3.027 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824479 462284759 /nfs/dbraw/zinc/28/47/59/462284759.db2.gz JLDXGWZERUYSQC-DZGCQCFKSA-N 2 2 327.419 3.027 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)C1 ZINC000657824479 462284764 /nfs/dbraw/zinc/28/47/64/462284764.db2.gz JLDXGWZERUYSQC-DZGCQCFKSA-N 2 2 327.419 3.027 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000651651305 462291158 /nfs/dbraw/zinc/29/11/58/462291158.db2.gz SJZUHZXQVZLPEA-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000651651305 462291162 /nfs/dbraw/zinc/29/11/62/462291162.db2.gz SJZUHZXQVZLPEA-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000651651305 462291166 /nfs/dbraw/zinc/29/11/66/462291166.db2.gz SJZUHZXQVZLPEA-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000651651305 462291170 /nfs/dbraw/zinc/29/11/70/462291170.db2.gz SJZUHZXQVZLPEA-WIYYLYMNSA-N 2 2 338.499 3.405 20 0 EGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641584 462343638 /nfs/dbraw/zinc/34/36/38/462343638.db2.gz DFTWCFISOJEAEN-SWLSCSKDSA-N 2 2 331.287 3.443 20 0 EGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641584 462343643 /nfs/dbraw/zinc/34/36/43/462343643.db2.gz DFTWCFISOJEAEN-SWLSCSKDSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641584 462343651 /nfs/dbraw/zinc/34/36/51/462343651.db2.gz DFTWCFISOJEAEN-SWLSCSKDSA-N 2 2 331.287 3.443 20 0 EGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661641584 462343658 /nfs/dbraw/zinc/34/36/58/462343658.db2.gz DFTWCFISOJEAEN-SWLSCSKDSA-N 2 2 331.287 3.443 20 0 EGADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000665237745 462363582 /nfs/dbraw/zinc/36/35/82/462363582.db2.gz IVADGBDSEGTSLQ-WMZOPIPTSA-N 2 2 326.440 3.287 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000665246524 462367839 /nfs/dbraw/zinc/36/78/39/462367839.db2.gz HQQVVYPJIXDGGM-VAMGGRTRSA-N 3 2 327.516 3.291 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000665246524 462367844 /nfs/dbraw/zinc/36/78/44/462367844.db2.gz HQQVVYPJIXDGGM-VAMGGRTRSA-N 3 2 327.516 3.291 20 0 EGADLP COC[C@@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253597 462370931 /nfs/dbraw/zinc/37/09/31/462370931.db2.gz WWPDFLLEALXJQX-IIDMSEBBSA-N 2 2 326.431 3.061 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095271 462381968 /nfs/dbraw/zinc/38/19/68/462381968.db2.gz FVRUSHWYAJGDDQ-OALUTQOASA-N 2 2 341.503 3.180 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095271 462381970 /nfs/dbraw/zinc/38/19/70/462381970.db2.gz FVRUSHWYAJGDDQ-OALUTQOASA-N 2 2 341.503 3.180 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000665296752 462390703 /nfs/dbraw/zinc/39/07/03/462390703.db2.gz XKPQZYHJUGOOKP-SWLSCSKDSA-N 2 2 331.485 3.394 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000665296857 462390890 /nfs/dbraw/zinc/39/08/90/462390890.db2.gz YUMQUKIMPOXLPA-YWZLYKJASA-N 2 2 328.456 3.185 20 0 EGADLP Cc1c(Br)cncc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000668100363 462419594 /nfs/dbraw/zinc/41/95/94/462419594.db2.gz KKZJBIUXXWLWQW-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000668100363 462419599 /nfs/dbraw/zinc/41/95/99/462419599.db2.gz KKZJBIUXXWLWQW-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000645943799 462475329 /nfs/dbraw/zinc/47/53/29/462475329.db2.gz LZDAMTXMVJZMLG-UHFFFAOYSA-N 2 2 334.414 3.072 20 0 EGADLP CC[N@H+](CCCC1CC[NH2+]CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000649413905 462503276 /nfs/dbraw/zinc/50/32/76/462503276.db2.gz RGSXCPUKXWAEEW-UHFFFAOYSA-N 3 2 344.547 3.400 20 0 EGADLP CC[N@@H+](CCCC1CC[NH2+]CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000649413905 462503280 /nfs/dbraw/zinc/50/32/80/462503280.db2.gz RGSXCPUKXWAEEW-UHFFFAOYSA-N 3 2 344.547 3.400 20 0 EGADLP C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106218 462518900 /nfs/dbraw/zinc/51/89/00/462518900.db2.gz SOGUCFTYCFLEMJ-ZDUSSCGKSA-N 2 2 326.843 3.337 20 0 EGADLP C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106218 462518902 /nfs/dbraw/zinc/51/89/02/462518902.db2.gz SOGUCFTYCFLEMJ-ZDUSSCGKSA-N 2 2 326.843 3.337 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000179638013 534069724 /nfs/dbraw/zinc/06/97/24/534069724.db2.gz ANEHFWHCZSNUCV-ZIAGYGMSSA-N 2 2 325.294 3.436 20 0 EGADLP C[C@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1cccc(Br)c1 ZINC000179638013 534069732 /nfs/dbraw/zinc/06/97/32/534069732.db2.gz ANEHFWHCZSNUCV-ZIAGYGMSSA-N 2 2 325.294 3.436 20 0 EGADLP CSC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423491095 518174253 /nfs/dbraw/zinc/17/42/53/518174253.db2.gz JDJVTKGZRBAJIK-LSDHHAIUSA-N 2 2 348.434 3.078 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000191449075 526640763 /nfs/dbraw/zinc/64/07/63/526640763.db2.gz POZBQHQOJAVGPQ-DOMZBBRYSA-N 2 2 339.277 3.491 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000191449075 526640769 /nfs/dbraw/zinc/64/07/69/526640769.db2.gz POZBQHQOJAVGPQ-DOMZBBRYSA-N 2 2 339.277 3.491 20 0 EGADLP Brc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000191449075 526640773 /nfs/dbraw/zinc/64/07/73/526640773.db2.gz POZBQHQOJAVGPQ-DOMZBBRYSA-N 2 2 339.277 3.491 20 0 EGADLP Brc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000191449075 526640778 /nfs/dbraw/zinc/64/07/78/526640778.db2.gz POZBQHQOJAVGPQ-DOMZBBRYSA-N 2 2 339.277 3.491 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948205 527840757 /nfs/dbraw/zinc/84/07/57/527840757.db2.gz IGYWGZPBLPJSDM-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948205 527840758 /nfs/dbraw/zinc/84/07/58/527840758.db2.gz IGYWGZPBLPJSDM-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948205 527840762 /nfs/dbraw/zinc/84/07/62/527840762.db2.gz IGYWGZPBLPJSDM-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000174948205 527840764 /nfs/dbraw/zinc/84/07/64/527840764.db2.gz IGYWGZPBLPJSDM-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000179498127 528408825 /nfs/dbraw/zinc/40/88/25/528408825.db2.gz JYGGILKTTHKNNZ-UHFFFAOYSA-N 2 2 329.444 3.315 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000179498127 528408837 /nfs/dbraw/zinc/40/88/37/528408837.db2.gz JYGGILKTTHKNNZ-UHFFFAOYSA-N 2 2 329.444 3.315 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2F)[C@H](C)C1 ZINC000178498186 528668307 /nfs/dbraw/zinc/66/83/07/528668307.db2.gz RZXDCWUZHJCWIB-KDOFPFPSSA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2F)[C@H](C)C1 ZINC000178498186 528668312 /nfs/dbraw/zinc/66/83/12/528668312.db2.gz RZXDCWUZHJCWIB-KDOFPFPSSA-N 2 2 326.431 3.191 20 0 EGADLP CC[N@@H+](Cc1noc(C2CC2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392460 528894091 /nfs/dbraw/zinc/89/40/91/528894091.db2.gz AVKNEOGXGULLGL-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP CC[N@H+](Cc1noc(C2CC2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392460 528894093 /nfs/dbraw/zinc/89/40/93/528894093.db2.gz AVKNEOGXGULLGL-UHFFFAOYSA-N 2 2 341.459 3.081 20 0 EGADLP CCCCCC[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000173348919 534998193 /nfs/dbraw/zinc/99/81/93/534998193.db2.gz AFYHROUQSIEHHU-QGZVFWFLSA-N 2 2 337.552 3.268 20 0 EGADLP CCN(CC)C(=O)[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000353012121 535465092 /nfs/dbraw/zinc/46/50/92/535465092.db2.gz NQKNUNULAUFDTL-LJQANCHMSA-N 2 2 345.531 3.308 20 0 EGADLP COC(=O)c1cc(C[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cn1C ZINC000348017240 536886101 /nfs/dbraw/zinc/88/61/01/536886101.db2.gz VGJXYZLZIBKKSD-HNNXBMFYSA-N 2 2 343.471 3.031 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ncc(Br)s1 ZINC000179237818 547044905 /nfs/dbraw/zinc/04/49/05/547044905.db2.gz ZLNKICZVIAIQCL-SNVBAGLBSA-N 2 2 341.278 3.453 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000248669247 547302648 /nfs/dbraw/zinc/30/26/48/547302648.db2.gz RGDICXXFDQQIRT-YOEHRIQHSA-N 2 2 338.492 3.309 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000248669247 547302652 /nfs/dbraw/zinc/30/26/52/547302652.db2.gz RGDICXXFDQQIRT-YOEHRIQHSA-N 2 2 338.492 3.309 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284804638 547387163 /nfs/dbraw/zinc/38/71/63/547387163.db2.gz IHJNQCGEORGOLT-HNAYVOBHSA-N 2 2 325.460 3.151 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)c1 ZINC000284804638 547387168 /nfs/dbraw/zinc/38/71/68/547387168.db2.gz IHJNQCGEORGOLT-HNAYVOBHSA-N 2 2 325.460 3.151 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339352482 547575518 /nfs/dbraw/zinc/57/55/18/547575518.db2.gz BDIQGCPJOXBTPI-IRXDYDNUSA-N 2 2 349.544 3.218 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339352482 547575525 /nfs/dbraw/zinc/57/55/25/547575525.db2.gz BDIQGCPJOXBTPI-IRXDYDNUSA-N 2 2 349.544 3.218 20 0 EGADLP c1cc2c(s1)C1(CC[NH+](Cc3c[nH+]c4ccccn34)CC1)OCC2 ZINC000352793188 547688077 /nfs/dbraw/zinc/68/80/77/547688077.db2.gz LFGDTQSKEJAXCW-UHFFFAOYSA-N 2 2 339.464 3.460 20 0 EGADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331290 547705186 /nfs/dbraw/zinc/70/51/86/547705186.db2.gz CPWQABJPIJVJBW-LMPOIIKSSA-N 2 2 336.442 3.444 20 0 EGADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354331290 547705191 /nfs/dbraw/zinc/70/51/91/547705191.db2.gz CPWQABJPIJVJBW-LMPOIIKSSA-N 2 2 336.442 3.444 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414931266 547861133 /nfs/dbraw/zinc/86/11/33/547861133.db2.gz UJGXENXUSXAOMU-LSDHHAIUSA-N 2 2 331.485 3.390 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000536841369 548057394 /nfs/dbraw/zinc/05/73/94/548057394.db2.gz SSNQSCJSDLGJAY-WTNAPCKOSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000536841369 548057400 /nfs/dbraw/zinc/05/74/00/548057400.db2.gz SSNQSCJSDLGJAY-WTNAPCKOSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536841369 548057406 /nfs/dbraw/zinc/05/74/06/548057406.db2.gz SSNQSCJSDLGJAY-WTNAPCKOSA-N 2 2 335.495 3.283 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536841369 548057408 /nfs/dbraw/zinc/05/74/08/548057408.db2.gz SSNQSCJSDLGJAY-WTNAPCKOSA-N 2 2 335.495 3.283 20 0 EGADLP Clc1ccc(CCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670986781 548244884 /nfs/dbraw/zinc/24/48/84/548244884.db2.gz XTLFBPMMOXTLHO-LJQANCHMSA-N 2 2 336.907 3.459 20 0 EGADLP Clc1ccc(CCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000670986781 548244887 /nfs/dbraw/zinc/24/48/87/548244887.db2.gz XTLFBPMMOXTLHO-LJQANCHMSA-N 2 2 336.907 3.459 20 0 EGADLP CC1(C)C[C@H]([NH2+]Cc2cnn3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000671726072 548344866 /nfs/dbraw/zinc/34/48/66/548344866.db2.gz VZQPKTIGPGWUGN-IBGZPJMESA-N 2 2 334.467 3.477 20 0 EGADLP CC1(C)C[C@H]([NH2+]Cc2cnn3ccccc23)C[N@H+]1Cc1ccccc1 ZINC000671726072 548344870 /nfs/dbraw/zinc/34/48/70/548344870.db2.gz VZQPKTIGPGWUGN-IBGZPJMESA-N 2 2 334.467 3.477 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)c(C)c1OC ZINC000671746841 548351435 /nfs/dbraw/zinc/35/14/35/548351435.db2.gz OMNRWAGBNAUWPR-KSSFIOAISA-N 2 2 332.488 3.017 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)c(C)c1OC ZINC000671746841 548351439 /nfs/dbraw/zinc/35/14/39/548351439.db2.gz OMNRWAGBNAUWPR-KSSFIOAISA-N 2 2 332.488 3.017 20 0 EGADLP c1csc([C@H](CNc2nc(N3CCCC3)cc[nH+]2)[NH+]2CCCC2)c1 ZINC000674061729 548682285 /nfs/dbraw/zinc/68/22/85/548682285.db2.gz CQFKBIOVDHOZRK-HNNXBMFYSA-N 2 2 343.500 3.387 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000674375833 548742065 /nfs/dbraw/zinc/74/20/65/548742065.db2.gz COOHAIKDHADJKP-ZDUSSCGKSA-N 2 2 341.293 3.211 20 0 EGADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000675888044 548997658 /nfs/dbraw/zinc/99/76/58/548997658.db2.gz PRTFXJGJFLCREC-CQSZACIVSA-N 2 2 340.349 3.056 20 0 EGADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000675888044 548997662 /nfs/dbraw/zinc/99/76/62/548997662.db2.gz PRTFXJGJFLCREC-CQSZACIVSA-N 2 2 340.349 3.056 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)o1 ZINC000677471913 549275605 /nfs/dbraw/zinc/27/56/05/549275605.db2.gz LJJRJCIDMPOEIR-GOSISDBHSA-N 2 2 341.455 3.038 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)o1 ZINC000677471913 549275608 /nfs/dbraw/zinc/27/56/08/549275608.db2.gz LJJRJCIDMPOEIR-GOSISDBHSA-N 2 2 341.455 3.038 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000678234500 549436456 /nfs/dbraw/zinc/43/64/56/549436456.db2.gz GOOWCYSIJXSNGG-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1OC(F)F ZINC000678234500 549436460 /nfs/dbraw/zinc/43/64/60/549436460.db2.gz GOOWCYSIJXSNGG-CQSZACIVSA-N 2 2 337.370 3.330 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678992119 549612796 /nfs/dbraw/zinc/61/27/96/549612796.db2.gz BWCJAYOKTUCCNV-YOEHRIQHSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678992119 549612800 /nfs/dbraw/zinc/61/28/00/549612800.db2.gz BWCJAYOKTUCCNV-YOEHRIQHSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678992119 549612805 /nfs/dbraw/zinc/61/28/05/549612805.db2.gz BWCJAYOKTUCCNV-YOEHRIQHSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678992119 549612807 /nfs/dbraw/zinc/61/28/07/549612807.db2.gz BWCJAYOKTUCCNV-YOEHRIQHSA-N 2 2 331.529 3.471 20 0 EGADLP C[C@H](CCCCO)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000679339946 549691570 /nfs/dbraw/zinc/69/15/70/549691570.db2.gz GSANSOCWYJETCX-MSOLQXFVSA-N 2 2 334.504 3.027 20 0 EGADLP CC[C@H](C)CCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680192324 549830700 /nfs/dbraw/zinc/83/07/00/549830700.db2.gz ULHZUTYYUWHECA-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP CC[C@H](C)CCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680192324 549830704 /nfs/dbraw/zinc/83/07/04/549830704.db2.gz ULHZUTYYUWHECA-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP COc1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000680334431 549851275 /nfs/dbraw/zinc/85/12/75/549851275.db2.gz OLNHLWREVNSBJN-LJQANCHMSA-N 2 2 337.467 3.206 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(Cl)ccc3cccnc32)CCCO1 ZINC000683344027 550220305 /nfs/dbraw/zinc/22/03/05/550220305.db2.gz IKDLTDSGJKICRK-HNNXBMFYSA-N 2 2 347.890 3.479 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(Cl)ccc3cccnc32)CCCO1 ZINC000683344027 550220307 /nfs/dbraw/zinc/22/03/07/550220307.db2.gz IKDLTDSGJKICRK-HNNXBMFYSA-N 2 2 347.890 3.479 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684203233 550304063 /nfs/dbraw/zinc/30/40/63/550304063.db2.gz DYXYHLZNDXCENM-SFTDATJTSA-N 2 2 335.451 3.277 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684203233 550304065 /nfs/dbraw/zinc/30/40/65/550304065.db2.gz DYXYHLZNDXCENM-SFTDATJTSA-N 2 2 335.451 3.277 20 0 EGADLP C[C@@H]1[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000685079313 550398235 /nfs/dbraw/zinc/39/82/35/550398235.db2.gz FIMDXGCPAVWPOC-CRAIPNDOSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@@H]1[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000685079313 550398236 /nfs/dbraw/zinc/39/82/36/550398236.db2.gz FIMDXGCPAVWPOC-CRAIPNDOSA-N 2 2 349.438 3.119 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920240 574895757 /nfs/dbraw/zinc/89/57/57/574895757.db2.gz LJOHFZYUPFVXTA-JKSUJKDBSA-N 2 2 339.361 3.272 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920240 574895759 /nfs/dbraw/zinc/89/57/59/574895759.db2.gz LJOHFZYUPFVXTA-JKSUJKDBSA-N 2 2 339.361 3.272 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C[C@H](C)O1 ZINC000731674873 575196746 /nfs/dbraw/zinc/19/67/46/575196746.db2.gz GFFNRBXHIINFSO-IRXDYDNUSA-N 2 2 346.515 3.379 20 0 EGADLP C[NH+]1CCC(NC(=S)Nc2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000731945876 575222065 /nfs/dbraw/zinc/22/20/65/575222065.db2.gz QQOXHPHRSJODQZ-UHFFFAOYSA-N 2 2 342.468 3.255 20 0 EGADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014663 1291956466 /nfs/dbraw/zinc/95/64/66/1291956466.db2.gz LOJPYIYOODQZEN-UHFFFAOYSA-N 2 2 343.862 3.437 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3F)c2)CCO1 ZINC000067976748 1292179872 /nfs/dbraw/zinc/17/98/72/1292179872.db2.gz GHWHZQYHMRGVHE-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3F)c2)CCO1 ZINC000067976748 1292179877 /nfs/dbraw/zinc/17/98/77/1292179877.db2.gz GHWHZQYHMRGVHE-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP CC(C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685372 1292356033 /nfs/dbraw/zinc/35/60/33/1292356033.db2.gz MHGFOIYNVMEQOX-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP CC(C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)=C1CCC1 ZINC000827685372 1292356039 /nfs/dbraw/zinc/35/60/39/1292356039.db2.gz MHGFOIYNVMEQOX-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccccc2C1 ZINC000075675418 1292405296 /nfs/dbraw/zinc/40/52/96/1292405296.db2.gz RVXQIWDTMNRRJJ-SFHVURJKSA-N 2 2 346.478 3.409 20 0 EGADLP C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000078819341 1292528674 /nfs/dbraw/zinc/52/86/74/1292528674.db2.gz VPSAPBYGWCPNJJ-CYBMUJFWSA-N 2 2 327.457 3.246 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000080338715 1292596176 /nfs/dbraw/zinc/59/61/76/1292596176.db2.gz AWYWULMMINLYOU-DOTOQJQBSA-N 2 2 344.528 3.352 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000080338715 1292596180 /nfs/dbraw/zinc/59/61/80/1292596180.db2.gz AWYWULMMINLYOU-DOTOQJQBSA-N 2 2 344.528 3.352 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091333488 1292833053 /nfs/dbraw/zinc/83/30/53/1292833053.db2.gz FAEKIFLFAHNHIR-LVCYWYKZSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091333488 1292833062 /nfs/dbraw/zinc/83/30/62/1292833062.db2.gz FAEKIFLFAHNHIR-LVCYWYKZSA-N 2 2 344.499 3.379 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000107315972 1293063843 /nfs/dbraw/zinc/06/38/43/1293063843.db2.gz YTDNADDWHHJSQO-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000107315972 1293063849 /nfs/dbraw/zinc/06/38/49/1293063849.db2.gz YTDNADDWHHJSQO-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000122347505 1293408709 /nfs/dbraw/zinc/40/87/09/1293408709.db2.gz DSPIKTQBUSJTSK-UHFFFAOYSA-N 2 2 335.495 3.478 20 0 EGADLP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000185359388 1295259421 /nfs/dbraw/zinc/25/94/21/1295259421.db2.gz JBGDVBUYNNNBLX-SNVBAGLBSA-N 2 2 345.256 3.286 20 0 EGADLP CC(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000236654190 1296193542 /nfs/dbraw/zinc/19/35/42/1296193542.db2.gz VNKUCTHIPCXXFD-NRFANRHFSA-N 2 2 343.515 3.060 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCCC1 ZINC000237358387 1296236996 /nfs/dbraw/zinc/23/69/96/1296236996.db2.gz WZGZZRSHACYMPQ-ZDUSSCGKSA-N 2 2 325.840 3.460 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCC2 ZINC000872016691 1296657567 /nfs/dbraw/zinc/65/75/67/1296657567.db2.gz MRFWPKKZFGNCEL-QGZVFWFLSA-N 2 2 329.444 3.348 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000304205758 1296903526 /nfs/dbraw/zinc/90/35/26/1296903526.db2.gz BSHAYXKEDPLYID-LIRRHRJNSA-N 2 2 325.387 3.223 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)c(F)c1 ZINC000305666506 1297018907 /nfs/dbraw/zinc/01/89/07/1297018907.db2.gz IEOSVOBDHGDASQ-SFHVURJKSA-N 2 2 345.805 3.488 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000873109415 1297275195 /nfs/dbraw/zinc/27/51/95/1297275195.db2.gz QEWKOFDXYKKABP-LLVKDONJSA-N 2 2 338.224 3.198 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873209772 1297351830 /nfs/dbraw/zinc/35/18/30/1297351830.db2.gz QOYZCQBDVYTRCW-AWEZNQCLSA-N 2 2 347.553 3.334 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000382381635 1297558899 /nfs/dbraw/zinc/55/88/99/1297558899.db2.gz FMDOXKAHFPRIRS-BBWFWOEESA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000382381635 1297558903 /nfs/dbraw/zinc/55/89/03/1297558903.db2.gz FMDOXKAHFPRIRS-BBWFWOEESA-N 2 2 339.524 3.144 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120061 1297607804 /nfs/dbraw/zinc/60/78/04/1297607804.db2.gz CBMFVTZQDPNSHP-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120061 1297607814 /nfs/dbraw/zinc/60/78/14/1297607814.db2.gz CBMFVTZQDPNSHP-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000394400647 1297676762 /nfs/dbraw/zinc/67/67/62/1297676762.db2.gz BKUATINRQLXCFJ-SFHVURJKSA-N 2 2 328.456 3.428 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000394400647 1297676768 /nfs/dbraw/zinc/67/67/68/1297676768.db2.gz BKUATINRQLXCFJ-SFHVURJKSA-N 2 2 328.456 3.428 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]CCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000396721057 1297689544 /nfs/dbraw/zinc/68/95/44/1297689544.db2.gz QOIMAHZVWPBQCD-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398025246 1297711116 /nfs/dbraw/zinc/71/11/16/1297711116.db2.gz LSHPSJUURWYASQ-KBXCAEBGSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398025246 1297711122 /nfs/dbraw/zinc/71/11/22/1297711122.db2.gz LSHPSJUURWYASQ-KBXCAEBGSA-N 2 2 346.906 3.382 20 0 EGADLP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000701892670 1298191305 /nfs/dbraw/zinc/19/13/05/1298191305.db2.gz KSBZQWVPLNWEHF-OAHLLOKOSA-N 2 2 344.459 3.217 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cccc(C(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000702572675 1298195794 /nfs/dbraw/zinc/19/57/94/1298195794.db2.gz HPHZVQRBZGQAMQ-HXUWFJFHSA-N 2 2 346.421 3.351 20 0 EGADLP O[C@@]1(C[NH2+]Cc2cccc(C(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000702572675 1298195799 /nfs/dbraw/zinc/19/57/99/1298195799.db2.gz HPHZVQRBZGQAMQ-HXUWFJFHSA-N 2 2 346.421 3.351 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3cccc(F)c3)C2)CC1 ZINC000748436060 1299007817 /nfs/dbraw/zinc/00/78/17/1299007817.db2.gz MHKGAJPZEBCSFZ-YLJYHZDGSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3cccc(F)c3)C2)CC1 ZINC000748436060 1299007825 /nfs/dbraw/zinc/00/78/25/1299007825.db2.gz MHKGAJPZEBCSFZ-YLJYHZDGSA-N 2 2 334.479 3.303 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](O)c1cccc(F)c1 ZINC000749116183 1299145192 /nfs/dbraw/zinc/14/51/92/1299145192.db2.gz JKDWJRQHOPSHLG-LIRRHRJNSA-N 2 2 325.387 3.223 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000749251376 1299177278 /nfs/dbraw/zinc/17/72/78/1299177278.db2.gz QDLGSIGJPVDRDF-UHFFFAOYSA-N 2 2 338.386 3.325 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877744120 1299521049 /nfs/dbraw/zinc/52/10/49/1299521049.db2.gz OUGYXHFQXVKIJD-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC ZINC000877744120 1299521057 /nfs/dbraw/zinc/52/10/57/1299521057.db2.gz OUGYXHFQXVKIJD-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877744120 1299521063 /nfs/dbraw/zinc/52/10/63/1299521063.db2.gz OUGYXHFQXVKIJD-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1OC ZINC000877744120 1299521072 /nfs/dbraw/zinc/52/10/72/1299521072.db2.gz OUGYXHFQXVKIJD-CGTJXYLNSA-N 2 2 332.488 3.399 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000879202143 1300425950 /nfs/dbraw/zinc/42/59/50/1300425950.db2.gz DLHAWMJCAFRACY-QGZVFWFLSA-N 2 2 328.456 3.417 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201928 1300981317 /nfs/dbraw/zinc/98/13/17/1300981317.db2.gz VDILDKQHZWHJDZ-QUCCMNQESA-N 2 2 328.500 3.340 20 0 EGADLP c1ccc2c(c1)CC[C@@H]2CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880201928 1300981324 /nfs/dbraw/zinc/98/13/24/1300981324.db2.gz VDILDKQHZWHJDZ-QUCCMNQESA-N 2 2 328.500 3.340 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569802 1301165245 /nfs/dbraw/zinc/16/52/45/1301165245.db2.gz PDHAOAQADINHQE-QGZVFWFLSA-N 2 2 344.459 3.129 20 0 EGADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000765252136 1302229502 /nfs/dbraw/zinc/22/95/02/1302229502.db2.gz RCOFSUNTMGNYJS-HOJAQTOUSA-N 2 2 340.515 3.408 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135040 1302398640 /nfs/dbraw/zinc/39/86/40/1302398640.db2.gz JDHWGNKEORDAPJ-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccnc1Cl ZINC000766135040 1302398650 /nfs/dbraw/zinc/39/86/50/1302398650.db2.gz JDHWGNKEORDAPJ-BEFAXECRSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191708 1302407302 /nfs/dbraw/zinc/40/73/02/1302407302.db2.gz NDJQTLBCTILEQA-DLBZAZTESA-N 2 2 331.504 3.126 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273222 1302418706 /nfs/dbraw/zinc/41/87/06/1302418706.db2.gz OMNLIQFEPWPAPL-DLBZAZTESA-N 2 2 342.487 3.134 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273222 1302418709 /nfs/dbraw/zinc/41/87/09/1302418709.db2.gz OMNLIQFEPWPAPL-DLBZAZTESA-N 2 2 342.487 3.134 20 0 EGADLP COc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(OC)c1 ZINC000883398288 1302431485 /nfs/dbraw/zinc/43/14/85/1302431485.db2.gz JDRNMRYGJZKNMX-IBGZPJMESA-N 2 2 337.423 3.431 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCO2 ZINC000768511428 1302921268 /nfs/dbraw/zinc/92/12/68/1302921268.db2.gz IWCSBQULMZKOSX-QWFCFKBJSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCCO2 ZINC000768511428 1302921273 /nfs/dbraw/zinc/92/12/73/1302921273.db2.gz IWCSBQULMZKOSX-QWFCFKBJSA-N 2 2 344.499 3.477 20 0 EGADLP CCc1ccc(NC(=O)C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000886664322 1303545288 /nfs/dbraw/zinc/54/52/88/1303545288.db2.gz IWFXNIXSOSYZTA-UHFFFAOYSA-N 2 2 340.471 3.407 20 0 EGADLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886664730 1303545332 /nfs/dbraw/zinc/54/53/32/1303545332.db2.gz WCHWCFCVHAOHGB-QGZVFWFLSA-N 2 2 327.428 3.120 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)[nH+]c1C ZINC000886664606 1303545555 /nfs/dbraw/zinc/54/55/55/1303545555.db2.gz RONGDHTYUFKNAH-UHFFFAOYSA-N 2 2 348.397 3.123 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cn2)cn1 ZINC000775493506 1303973169 /nfs/dbraw/zinc/97/31/69/1303973169.db2.gz UMFBETUBTPKQGK-LBPRGKRZSA-N 2 2 327.819 3.475 20 0 EGADLP CC(C)COC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000776581804 1304174986 /nfs/dbraw/zinc/17/49/86/1304174986.db2.gz MFLJMJMFQTWVDZ-UHFFFAOYSA-N 2 2 332.488 3.030 20 0 EGADLP CC(C)COC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000776581804 1304174994 /nfs/dbraw/zinc/17/49/94/1304174994.db2.gz MFLJMJMFQTWVDZ-UHFFFAOYSA-N 2 2 332.488 3.030 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(F)(F)F ZINC000777007092 1304231456 /nfs/dbraw/zinc/23/14/56/1304231456.db2.gz KXXLIGQWYHXPMS-CWRNSKLLSA-N 2 2 330.394 3.206 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(F)(F)F ZINC000777007092 1304231465 /nfs/dbraw/zinc/23/14/65/1304231465.db2.gz KXXLIGQWYHXPMS-CWRNSKLLSA-N 2 2 330.394 3.206 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000780521938 1304704405 /nfs/dbraw/zinc/70/44/05/1304704405.db2.gz AZGFHCKCVCTEJA-CABCVRRESA-N 2 2 348.796 3.312 20 0 EGADLP FC(F)(F)c1cc(Cl)cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000780521938 1304704407 /nfs/dbraw/zinc/70/44/07/1304704407.db2.gz AZGFHCKCVCTEJA-CABCVRRESA-N 2 2 348.796 3.312 20 0 EGADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1F ZINC000783031661 1305039172 /nfs/dbraw/zinc/03/91/72/1305039172.db2.gz UNUBHLUZAYOOIU-LJQANCHMSA-N 2 2 331.435 3.248 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000783974604 1305170188 /nfs/dbraw/zinc/17/01/88/1305170188.db2.gz JVIXOVINWGAELU-MSOLQXFVSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000783974604 1305170193 /nfs/dbraw/zinc/17/01/93/1305170193.db2.gz JVIXOVINWGAELU-MSOLQXFVSA-N 2 2 344.503 3.128 20 0 EGADLP CC(C)[C@@H](c1ccccc1)[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783989836 1305171974 /nfs/dbraw/zinc/17/19/74/1305171974.db2.gz UHBJXYPEMXYVAG-XLIONFOSSA-N 2 2 340.471 3.023 20 0 EGADLP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783989836 1305171976 /nfs/dbraw/zinc/17/19/76/1305171976.db2.gz UHBJXYPEMXYVAG-XLIONFOSSA-N 2 2 340.471 3.023 20 0 EGADLP c1coc(-c2ncc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)s2)c1 ZINC000785466619 1305356880 /nfs/dbraw/zinc/35/68/80/1305356880.db2.gz QRTJSJMWNAJCSG-HNNXBMFYSA-N 2 2 347.484 3.136 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000893099124 1305706328 /nfs/dbraw/zinc/70/63/28/1305706328.db2.gz WHFRAVSSYPJVHI-AEFFLSMTSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000893099124 1305706332 /nfs/dbraw/zinc/70/63/32/1305706332.db2.gz WHFRAVSSYPJVHI-AEFFLSMTSA-N 2 2 325.456 3.233 20 0 EGADLP COCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000893489566 1305922935 /nfs/dbraw/zinc/92/29/35/1305922935.db2.gz ZDZGYJZDJRHESJ-HOTGVXAUSA-N 2 2 336.476 3.047 20 0 EGADLP COCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000893489566 1305922949 /nfs/dbraw/zinc/92/29/49/1305922949.db2.gz ZDZGYJZDJRHESJ-HOTGVXAUSA-N 2 2 336.476 3.047 20 0 EGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000788434637 1305941349 /nfs/dbraw/zinc/94/13/49/1305941349.db2.gz FHZQEIHUPPUMNA-BRWVUGGUSA-N 2 2 349.906 3.080 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788502195 1305957435 /nfs/dbraw/zinc/95/74/35/1305957435.db2.gz HHGXOFSYYFTJMD-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000788502195 1305957439 /nfs/dbraw/zinc/95/74/39/1305957439.db2.gz HHGXOFSYYFTJMD-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP CCCCCCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789356152 1306145903 /nfs/dbraw/zinc/14/59/03/1306145903.db2.gz GRVFZMUSVCPPOH-UHFFFAOYSA-N 2 2 346.519 3.095 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790534758 1306348252 /nfs/dbraw/zinc/34/82/52/1306348252.db2.gz WELVMSJMCVKVMD-INIZCTEOSA-N 2 2 332.879 3.016 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790534758 1306348258 /nfs/dbraw/zinc/34/82/58/1306348258.db2.gz WELVMSJMCVKVMD-INIZCTEOSA-N 2 2 332.879 3.016 20 0 EGADLP Cc1nnc([C@H]2CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008541 1309152414 /nfs/dbraw/zinc/15/24/14/1309152414.db2.gz ZNMCOOLZGJDMOO-SFHVURJKSA-N 2 2 341.503 3.061 20 0 EGADLP Cc1nnc([C@H]2CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008541 1309152421 /nfs/dbraw/zinc/15/24/21/1309152421.db2.gz ZNMCOOLZGJDMOO-SFHVURJKSA-N 2 2 341.503 3.061 20 0 EGADLP Cc1nnc([C@H]2CC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008541 1309152425 /nfs/dbraw/zinc/15/24/25/1309152425.db2.gz ZNMCOOLZGJDMOO-SFHVURJKSA-N 2 2 341.503 3.061 20 0 EGADLP Cc1nnc([C@H]2CC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)[nH]1 ZINC000895008541 1309152429 /nfs/dbraw/zinc/15/24/29/1309152429.db2.gz ZNMCOOLZGJDMOO-SFHVURJKSA-N 2 2 341.503 3.061 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(F)F)c(F)c1)CCO2 ZINC000895120927 1309198272 /nfs/dbraw/zinc/19/82/72/1309198272.db2.gz IYHFSDJVHDVCAT-UHFFFAOYSA-N 2 2 328.378 3.060 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(F)F)c(F)c1)CCO2 ZINC000895120927 1309198276 /nfs/dbraw/zinc/19/82/76/1309198276.db2.gz IYHFSDJVHDVCAT-UHFFFAOYSA-N 2 2 328.378 3.060 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+](CN2Cc3c(cccc3Cl)C2=O)CC1 ZINC000795427509 1309749354 /nfs/dbraw/zinc/74/93/54/1309749354.db2.gz JWJGVNUDRSSNDP-UHFFFAOYSA-N 2 2 349.906 3.306 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+](CN2Cc3c(cccc3Cl)C2=O)CC1 ZINC000795427509 1309749357 /nfs/dbraw/zinc/74/93/57/1309749357.db2.gz JWJGVNUDRSSNDP-UHFFFAOYSA-N 2 2 349.906 3.306 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796276032 1309950198 /nfs/dbraw/zinc/95/01/98/1309950198.db2.gz RSFLRYAMEIPQAR-GFCCVEGCSA-N 2 2 341.286 3.463 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796276032 1309950202 /nfs/dbraw/zinc/95/02/02/1309950202.db2.gz RSFLRYAMEIPQAR-GFCCVEGCSA-N 2 2 341.286 3.463 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)s1 ZINC000796307880 1309962756 /nfs/dbraw/zinc/96/27/56/1309962756.db2.gz NLWWPFOFXSPJDU-LJQANCHMSA-N 2 2 345.512 3.462 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)s1 ZINC000796311734 1309963779 /nfs/dbraw/zinc/96/37/79/1309963779.db2.gz RTJBMKZVNOHLRP-QGZVFWFLSA-N 2 2 347.528 3.325 20 0 EGADLP CC(C)(C)OC(=O)NC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000897425275 1310332508 /nfs/dbraw/zinc/33/25/08/1310332508.db2.gz MJVIZNKVAGXUMP-UHFFFAOYSA-N 2 2 342.443 3.019 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000897536361 1310368160 /nfs/dbraw/zinc/36/81/60/1310368160.db2.gz KLMATYNHTSYWFR-UWJYYQICSA-N 2 2 345.531 3.252 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nn1C ZINC000800480703 1310766966 /nfs/dbraw/zinc/76/69/66/1310766966.db2.gz SECWEWWXQNHXOA-INIZCTEOSA-N 2 2 341.503 3.114 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC34CCOCC4)cc2)CC1 ZINC000800484149 1310767913 /nfs/dbraw/zinc/76/79/13/1310767913.db2.gz URHZUWLUCQFJKX-LJQANCHMSA-N 2 2 329.488 3.200 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)c2ccccc21 ZINC000802303783 1316996998 /nfs/dbraw/zinc/99/69/98/1316996998.db2.gz RBZIGUWCHIBEOB-ATZDWAIDSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)c2ccccc21 ZINC000802303783 1316997002 /nfs/dbraw/zinc/99/70/02/1316997002.db2.gz RBZIGUWCHIBEOB-ATZDWAIDSA-N 2 2 330.472 3.242 20 0 EGADLP CN(C)c1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC000929803812 1328705165 /nfs/dbraw/zinc/70/51/65/1328705165.db2.gz NZDORXVJJJYTIW-UHFFFAOYSA-N 2 2 335.455 3.334 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+][C@@H](C)c4ccccc4)C3)ccn12 ZINC001020153470 1317565646 /nfs/dbraw/zinc/56/56/46/1317565646.db2.gz LAWGMDLHRZIIEG-SNRMKQJTSA-N 2 2 348.450 3.254 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000902440529 1317578959 /nfs/dbraw/zinc/57/89/59/1317578959.db2.gz ZKVPDIXYNHXUJK-YXKFXFPPSA-N 2 2 326.440 3.288 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)c1cn(C)nn1 ZINC000902747289 1317611948 /nfs/dbraw/zinc/61/19/48/1317611948.db2.gz DONANIKBUVZJFW-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cn(C)nn1 ZINC000902747289 1317611954 /nfs/dbraw/zinc/61/19/54/1317611954.db2.gz DONANIKBUVZJFW-CVEARBPZSA-N 2 2 327.476 3.040 20 0 EGADLP CCO[C@H]1CCC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000902916201 1317630258 /nfs/dbraw/zinc/63/02/58/1317630258.db2.gz KLENYJISKROSGO-LPHOPBHVSA-N 2 2 346.519 3.372 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001020296681 1317633968 /nfs/dbraw/zinc/63/39/68/1317633968.db2.gz ZSGRJZSBYGYUDK-WBAXXEDZSA-N 2 2 348.450 3.483 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000903065941 1317646968 /nfs/dbraw/zinc/64/69/68/1317646968.db2.gz JCBFGKRPABEQAT-HNNXBMFYSA-N 2 2 341.455 3.176 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccccn3)C3CC3)[nH+]c2)C1 ZINC000903139328 1317661771 /nfs/dbraw/zinc/66/17/71/1317661771.db2.gz GWNMJAGFWTWIAX-FXAWDEMLSA-N 2 2 337.471 3.180 20 0 EGADLP CC[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)CCC(F)(F)F ZINC000903161710 1317665389 /nfs/dbraw/zinc/66/53/89/1317665389.db2.gz VTUSRDOPPJAMTA-VHRNVKJDSA-N 2 2 333.442 3.008 20 0 EGADLP CC[N@@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1)CCC(F)(F)F ZINC000903161710 1317665393 /nfs/dbraw/zinc/66/53/93/1317665393.db2.gz VTUSRDOPPJAMTA-VHRNVKJDSA-N 2 2 333.442 3.008 20 0 EGADLP CC[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CCC(F)(F)F ZINC000903161710 1317665398 /nfs/dbraw/zinc/66/53/98/1317665398.db2.gz VTUSRDOPPJAMTA-VHRNVKJDSA-N 2 2 333.442 3.008 20 0 EGADLP CC[NH+](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CCC(F)(F)F ZINC000903161710 1317665402 /nfs/dbraw/zinc/66/54/02/1317665402.db2.gz VTUSRDOPPJAMTA-VHRNVKJDSA-N 2 2 333.442 3.008 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000903892635 1317742978 /nfs/dbraw/zinc/74/29/78/1317742978.db2.gz VMAUPRIQBGVIIX-INIZCTEOSA-N 2 2 337.389 3.248 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000903892635 1317742981 /nfs/dbraw/zinc/74/29/81/1317742981.db2.gz VMAUPRIQBGVIIX-INIZCTEOSA-N 2 2 337.389 3.248 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000904320960 1317830838 /nfs/dbraw/zinc/83/08/38/1317830838.db2.gz SDWUPRZXHIQVFB-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000904320960 1317830843 /nfs/dbraw/zinc/83/08/43/1317830843.db2.gz SDWUPRZXHIQVFB-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320960 1317830850 /nfs/dbraw/zinc/83/08/50/1317830850.db2.gz SDWUPRZXHIQVFB-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@]2(C)CCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000904320960 1317830858 /nfs/dbraw/zinc/83/08/58/1317830858.db2.gz SDWUPRZXHIQVFB-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP CCCOc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1OC ZINC000904461359 1317850825 /nfs/dbraw/zinc/85/08/25/1317850825.db2.gz IEZRZZSPGQKPSK-YLJYHZDGSA-N 2 2 326.440 3.198 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589949 1318121061 /nfs/dbraw/zinc/12/10/61/1318121061.db2.gz FPFXDKIKKAAYPB-HRQSHJORSA-N 2 2 345.506 3.172 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906589949 1318121068 /nfs/dbraw/zinc/12/10/68/1318121068.db2.gz FPFXDKIKKAAYPB-HRQSHJORSA-N 2 2 345.506 3.172 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3Cc4ccccc4[C@H]3[NH2+]C(C)C)ccn12 ZINC000960268181 1318435743 /nfs/dbraw/zinc/43/57/43/1318435743.db2.gz SYMLUJIECTUSQS-UYAOXDASSA-N 2 2 348.450 3.037 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C1CC1 ZINC000812718291 1318444172 /nfs/dbraw/zinc/44/41/72/1318444172.db2.gz JRBYSAOQUUHYHQ-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)C1CC1 ZINC000812718291 1318444174 /nfs/dbraw/zinc/44/41/74/1318444174.db2.gz JRBYSAOQUUHYHQ-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP Clc1cnn(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000814225582 1318703416 /nfs/dbraw/zinc/70/34/16/1318703416.db2.gz UXBZAZQYVLATHU-UHFFFAOYSA-N 2 2 344.890 3.482 20 0 EGADLP Clc1cnn(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000814225582 1318703422 /nfs/dbraw/zinc/70/34/22/1318703422.db2.gz UXBZAZQYVLATHU-UHFFFAOYSA-N 2 2 344.890 3.482 20 0 EGADLP CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000960709599 1318811582 /nfs/dbraw/zinc/81/15/82/1318811582.db2.gz LROLVCSEBUFALG-VMBOVVBDSA-N 2 2 340.471 3.145 20 0 EGADLP CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000960709599 1318811588 /nfs/dbraw/zinc/81/15/88/1318811588.db2.gz LROLVCSEBUFALG-VMBOVVBDSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001022285262 1318876273 /nfs/dbraw/zinc/87/62/73/1318876273.db2.gz GIUHAUAGPICAQS-HDICACEKSA-N 2 2 348.450 3.230 20 0 EGADLP CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001022287702 1318879644 /nfs/dbraw/zinc/87/96/44/1318879644.db2.gz PSYCFXSNLYKBFC-HDICACEKSA-N 2 2 348.450 3.176 20 0 EGADLP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001022424265 1318935296 /nfs/dbraw/zinc/93/52/96/1318935296.db2.gz WTMDRDGCAPSGQY-UCUFBTAOSA-N 2 2 340.471 3.011 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001022776179 1319102519 /nfs/dbraw/zinc/10/25/19/1319102519.db2.gz WAXYDLCWYWVEDE-JCGIZDLHSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)ncc1F ZINC000817982931 1319485984 /nfs/dbraw/zinc/48/59/84/1319485984.db2.gz WKMQDONOAMGTFB-TVQRCGJNSA-N 2 2 330.245 3.151 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ncc1F ZINC000817985258 1319486824 /nfs/dbraw/zinc/48/68/24/1319486824.db2.gz IOQYAHCYQTULJX-GHMZBOCLSA-N 2 2 342.256 3.309 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819077604 1319628920 /nfs/dbraw/zinc/62/89/20/1319628920.db2.gz BLGUPRJJLCDDCR-CJNGLKHVSA-N 2 2 331.287 3.491 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Cl)c1 ZINC000918197951 1319932830 /nfs/dbraw/zinc/93/28/30/1319932830.db2.gz PWSDDTJMXGTGOJ-GOSISDBHSA-N 2 2 345.805 3.488 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823579124 1320188359 /nfs/dbraw/zinc/18/83/59/1320188359.db2.gz MRBRCJJSRUCRBB-YESZJQIVSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823579124 1320188361 /nfs/dbraw/zinc/18/83/61/1320188361.db2.gz MRBRCJJSRUCRBB-YESZJQIVSA-N 2 2 339.524 3.096 20 0 EGADLP CCn1ncc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000838901889 1320831477 /nfs/dbraw/zinc/83/14/77/1320831477.db2.gz UWAXIUYCAXMXHV-IAGOWNOFSA-N 2 2 341.503 3.066 20 0 EGADLP CCCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000840089800 1321026382 /nfs/dbraw/zinc/02/63/82/1321026382.db2.gz BJJMZYRKUGMKCG-KZNAEPCWSA-N 2 2 346.519 3.374 20 0 EGADLP CCCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000840089800 1321026387 /nfs/dbraw/zinc/02/63/87/1321026387.db2.gz BJJMZYRKUGMKCG-KZNAEPCWSA-N 2 2 346.519 3.374 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100312 1321218138 /nfs/dbraw/zinc/21/81/38/1321218138.db2.gz CHMAXTQNMWICNQ-DOMZBBRYSA-N 2 2 335.883 3.082 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100312 1321218142 /nfs/dbraw/zinc/21/81/42/1321218142.db2.gz CHMAXTQNMWICNQ-DOMZBBRYSA-N 2 2 335.883 3.082 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)C1CCCCC1 ZINC000842476131 1321394305 /nfs/dbraw/zinc/39/43/05/1321394305.db2.gz HOBXUTYJMSTRBP-IBGZPJMESA-N 2 2 325.456 3.276 20 0 EGADLP CC[N@H+](CCC[NH2+]Cc1cnc([C@H](C)O)s1)C1CCCCC1 ZINC000846022801 1321763572 /nfs/dbraw/zinc/76/35/72/1321763572.db2.gz OHQRYZGJVHLSRP-AWEZNQCLSA-N 2 2 325.522 3.331 20 0 EGADLP CC[N@@H+](CCC[NH2+]Cc1cnc([C@H](C)O)s1)C1CCCCC1 ZINC000846022801 1321763578 /nfs/dbraw/zinc/76/35/78/1321763578.db2.gz OHQRYZGJVHLSRP-AWEZNQCLSA-N 2 2 325.522 3.331 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000848530803 1321969784 /nfs/dbraw/zinc/96/97/84/1321969784.db2.gz GUGPBKHRWAZCRG-CVEARBPZSA-N 2 2 348.491 3.309 20 0 EGADLP C[N@@H+]1CCCc2cc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc21 ZINC000848542932 1321972315 /nfs/dbraw/zinc/97/23/15/1321972315.db2.gz LCFYHBCPKFNYFH-IBGZPJMESA-N 2 2 329.488 3.124 20 0 EGADLP C[N@H+]1CCCc2cc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc21 ZINC000848542932 1321972320 /nfs/dbraw/zinc/97/23/20/1321972320.db2.gz LCFYHBCPKFNYFH-IBGZPJMESA-N 2 2 329.488 3.124 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568458 1321978013 /nfs/dbraw/zinc/97/80/13/1321978013.db2.gz JGSHYKHBHDYLLO-IPELMVKDSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(N2CCOC2=O)c1 ZINC000848568458 1321978014 /nfs/dbraw/zinc/97/80/14/1321978014.db2.gz JGSHYKHBHDYLLO-IPELMVKDSA-N 2 2 343.471 3.311 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=[NH2+])NCCc1ccccc1)c1ccco1 ZINC000849051628 1322059457 /nfs/dbraw/zinc/05/94/57/1322059457.db2.gz RJDPHKSPVULVSU-NVXWUHKLSA-N 2 2 328.460 3.065 20 0 EGADLP CN(C(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CC1 ZINC000849078577 1322069180 /nfs/dbraw/zinc/06/91/80/1322069180.db2.gz DNVPCUDYMWRHEI-KRWDZBQOSA-N 2 2 334.895 3.313 20 0 EGADLP CN(C(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CC1 ZINC000849078577 1322069186 /nfs/dbraw/zinc/06/91/86/1322069186.db2.gz DNVPCUDYMWRHEI-KRWDZBQOSA-N 2 2 334.895 3.313 20 0 EGADLP Cc1[nH+]cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1C ZINC000850217971 1322208749 /nfs/dbraw/zinc/20/87/49/1322208749.db2.gz SCWPWKBMTOVICY-UHFFFAOYSA-N 3 2 341.503 3.119 20 0 EGADLP C1C[C@H]2SCCS[C@H]2[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850539882 1322262700 /nfs/dbraw/zinc/26/27/00/1322262700.db2.gz VHKVUYDTDPYSDC-SVGFKBNWSA-N 2 2 326.575 3.363 20 0 EGADLP C1C[C@H]2SCCS[C@H]2[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850539882 1322262705 /nfs/dbraw/zinc/26/27/05/1322262705.db2.gz VHKVUYDTDPYSDC-SVGFKBNWSA-N 2 2 326.575 3.363 20 0 EGADLP CS[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000921549963 1322348895 /nfs/dbraw/zinc/34/88/95/1322348895.db2.gz GAUHNEBDJNAIOE-OALUTQOASA-N 2 2 334.529 3.283 20 0 EGADLP CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000921549962 1322349562 /nfs/dbraw/zinc/34/95/62/1322349562.db2.gz GAUHNEBDJNAIOE-MOPGFXCFSA-N 2 2 334.529 3.283 20 0 EGADLP C[C@H](COCC1CCCCC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922603427 1322568414 /nfs/dbraw/zinc/56/84/14/1322568414.db2.gz QNGGOQPNHNQPJB-CQSZACIVSA-N 2 2 325.522 3.280 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC000923489741 1322760911 /nfs/dbraw/zinc/76/09/11/1322760911.db2.gz KLVYNLSYRIPSDK-UWVGGRQHSA-N 2 2 333.220 3.144 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)CC[C@H]1C[NH3+] ZINC000923489741 1322760914 /nfs/dbraw/zinc/76/09/14/1322760914.db2.gz KLVYNLSYRIPSDK-UWVGGRQHSA-N 2 2 333.220 3.144 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516582 1322767795 /nfs/dbraw/zinc/76/77/95/1322767795.db2.gz KUELKEPCXYHXMC-QKNQBKEWSA-N 2 2 349.478 3.216 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516582 1322767808 /nfs/dbraw/zinc/76/78/08/1322767808.db2.gz KUELKEPCXYHXMC-QKNQBKEWSA-N 2 2 349.478 3.216 20 0 EGADLP OCCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924622119 1323078845 /nfs/dbraw/zinc/07/88/45/1323078845.db2.gz AFTULMOUWBMPIZ-PXNSSMCTSA-N 2 2 327.472 3.352 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000924653215 1323095919 /nfs/dbraw/zinc/09/59/19/1323095919.db2.gz HTRJOMPGXJHRQB-HXUWFJFHSA-N 2 2 327.472 3.037 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000924653215 1323095925 /nfs/dbraw/zinc/09/59/25/1323095925.db2.gz HTRJOMPGXJHRQB-HXUWFJFHSA-N 2 2 327.472 3.037 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667489 1323103131 /nfs/dbraw/zinc/10/31/31/1323103131.db2.gz KTEGAUOTJIHQBR-GPMSIDNRSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c2ncnn21 ZINC000924667489 1323103135 /nfs/dbraw/zinc/10/31/35/1323103135.db2.gz KTEGAUOTJIHQBR-GPMSIDNRSA-N 2 2 339.487 3.306 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670390 1323104449 /nfs/dbraw/zinc/10/44/49/1323104449.db2.gz ZPGAMIWHCUACQO-JKSUJKDBSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670390 1323104456 /nfs/dbraw/zinc/10/44/56/1323104456.db2.gz ZPGAMIWHCUACQO-JKSUJKDBSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cc(CO)on1 ZINC000924870667 1323194342 /nfs/dbraw/zinc/19/43/42/1323194342.db2.gz SVANPAYZOSRHGD-INIZCTEOSA-N 2 2 343.471 3.394 20 0 EGADLP CSC1CC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000925112228 1323286737 /nfs/dbraw/zinc/28/67/37/1323286737.db2.gz LWHBWRRMUGBTME-ZLPCBKJTSA-N 2 2 334.529 3.370 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]2C1 ZINC000931437363 1329117338 /nfs/dbraw/zinc/11/73/38/1329117338.db2.gz RIKBBQMTOVHOSH-OLZOCXBDSA-N 2 2 349.450 3.472 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]2C1 ZINC000931437363 1329117343 /nfs/dbraw/zinc/11/73/43/1329117343.db2.gz RIKBBQMTOVHOSH-OLZOCXBDSA-N 2 2 349.450 3.472 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]2C1 ZINC000931437363 1329117346 /nfs/dbraw/zinc/11/73/46/1329117346.db2.gz RIKBBQMTOVHOSH-OLZOCXBDSA-N 2 2 349.450 3.472 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C[C@@H]2C1 ZINC000931437363 1329117349 /nfs/dbraw/zinc/11/73/49/1329117349.db2.gz RIKBBQMTOVHOSH-OLZOCXBDSA-N 2 2 349.450 3.472 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001025459435 1324302364 /nfs/dbraw/zinc/30/23/64/1324302364.db2.gz NFRGQPRAWKVBPU-HOCLYGCPSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001025459435 1324302372 /nfs/dbraw/zinc/30/23/72/1324302372.db2.gz NFRGQPRAWKVBPU-HOCLYGCPSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@@H]([NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001026583232 1324911074 /nfs/dbraw/zinc/91/10/74/1324911074.db2.gz MELQIJPORQYSBR-DAWZGUTISA-N 2 2 340.471 3.121 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001026598651 1324923225 /nfs/dbraw/zinc/92/32/25/1324923225.db2.gz RNJOBRBDTQYXDK-NNGSBXSVSA-N 2 2 340.471 3.039 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001026966338 1325113004 /nfs/dbraw/zinc/11/30/04/1325113004.db2.gz RUYVVFIEAUZPLP-VXVMZULRSA-N 2 2 329.488 3.105 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339962 1325131782 /nfs/dbraw/zinc/13/17/82/1325131782.db2.gz NKDSGLCQODPQDH-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339962 1325131790 /nfs/dbraw/zinc/13/17/90/1325131790.db2.gz NKDSGLCQODPQDH-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(COC2CCOCC2)c1 ZINC000925478870 1325168802 /nfs/dbraw/zinc/16/88/02/1325168802.db2.gz OZBYMODAZNVURR-HXUWFJFHSA-N 2 2 344.499 3.147 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368314 1325173081 /nfs/dbraw/zinc/17/30/81/1325173081.db2.gz VIDBDKREGDPMJW-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368314 1325173091 /nfs/dbraw/zinc/17/30/91/1325173091.db2.gz VIDBDKREGDPMJW-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP [NH3+]CCC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000925580071 1325218888 /nfs/dbraw/zinc/21/88/88/1325218888.db2.gz JBYNINXMVJNIKV-QGZVFWFLSA-N 2 2 339.418 3.181 20 0 EGADLP [NH3+]CCC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000925580071 1325218902 /nfs/dbraw/zinc/21/89/02/1325218902.db2.gz JBYNINXMVJNIKV-QGZVFWFLSA-N 2 2 339.418 3.181 20 0 EGADLP C[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925626272 1325236749 /nfs/dbraw/zinc/23/67/49/1325236749.db2.gz PDXQGCUHSILJCX-ULQDDVLXSA-N 2 2 337.870 3.099 20 0 EGADLP C[N@H+]1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925626272 1325236756 /nfs/dbraw/zinc/23/67/56/1325236756.db2.gz PDXQGCUHSILJCX-ULQDDVLXSA-N 2 2 337.870 3.099 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2=O)cc1 ZINC000925674349 1325258356 /nfs/dbraw/zinc/25/83/56/1325258356.db2.gz CHNPSIXWTREMBM-MAUKXSAKSA-N 2 2 327.472 3.139 20 0 EGADLP CCN(C(=O)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000925812489 1325312205 /nfs/dbraw/zinc/31/22/05/1325312205.db2.gz HUERACUKRNGOCZ-ICSRJNTNSA-N 2 2 337.467 3.122 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926464271 1325563530 /nfs/dbraw/zinc/56/35/30/1325563530.db2.gz RQIWENOCELPKDU-IMFGXOCKSA-N 2 2 331.479 3.259 20 0 EGADLP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926464271 1325563539 /nfs/dbraw/zinc/56/35/39/1325563539.db2.gz RQIWENOCELPKDU-IMFGXOCKSA-N 2 2 331.479 3.259 20 0 EGADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857153312 1325582846 /nfs/dbraw/zinc/58/28/46/1325582846.db2.gz WYCSQIZOZSHOCK-IBGZPJMESA-N 2 2 348.450 3.074 20 0 EGADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)C1 ZINC000857153312 1325582852 /nfs/dbraw/zinc/58/28/52/1325582852.db2.gz WYCSQIZOZSHOCK-IBGZPJMESA-N 2 2 348.450 3.074 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447956 1327689461 /nfs/dbraw/zinc/68/94/61/1327689461.db2.gz CMCVKFPVWOTJLC-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447956 1327689471 /nfs/dbraw/zinc/68/94/71/1327689471.db2.gz CMCVKFPVWOTJLC-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447956 1327689480 /nfs/dbraw/zinc/68/94/80/1327689480.db2.gz CMCVKFPVWOTJLC-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447956 1327689487 /nfs/dbraw/zinc/68/94/87/1327689487.db2.gz CMCVKFPVWOTJLC-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515167 1327785391 /nfs/dbraw/zinc/78/53/91/1327785391.db2.gz VYTOGSVGKOCYOA-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515167 1327785400 /nfs/dbraw/zinc/78/54/00/1327785400.db2.gz VYTOGSVGKOCYOA-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649889 1328029670 /nfs/dbraw/zinc/02/96/70/1328029670.db2.gz VKEMJAFHMVSGCC-INIZCTEOSA-N 2 2 346.519 3.046 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649889 1328029679 /nfs/dbraw/zinc/02/96/79/1328029679.db2.gz VKEMJAFHMVSGCC-INIZCTEOSA-N 2 2 346.519 3.046 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943321 1328416954 /nfs/dbraw/zinc/41/69/54/1328416954.db2.gz QBWNLVAUROIPHQ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943321 1328416957 /nfs/dbraw/zinc/41/69/57/1328416957.db2.gz QBWNLVAUROIPHQ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943321 1328416959 /nfs/dbraw/zinc/41/69/59/1328416959.db2.gz QBWNLVAUROIPHQ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CCCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943321 1328416962 /nfs/dbraw/zinc/41/69/62/1328416962.db2.gz QBWNLVAUROIPHQ-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027942290 1328417413 /nfs/dbraw/zinc/41/74/13/1328417413.db2.gz BAWIDQFRVSFZIC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027942290 1328417420 /nfs/dbraw/zinc/41/74/20/1328417420.db2.gz BAWIDQFRVSFZIC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942290 1328417427 /nfs/dbraw/zinc/41/74/27/1328417427.db2.gz BAWIDQFRVSFZIC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027942290 1328417431 /nfs/dbraw/zinc/41/74/31/1328417431.db2.gz BAWIDQFRVSFZIC-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054619 1328521392 /nfs/dbraw/zinc/52/13/92/1328521392.db2.gz ZTYODEAUMKSMCE-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054619 1328521395 /nfs/dbraw/zinc/52/13/95/1328521395.db2.gz ZTYODEAUMKSMCE-LJQANCHMSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(F)ccc2N(C)C)cn1 ZINC000865420158 1329694949 /nfs/dbraw/zinc/69/49/49/1329694949.db2.gz MQYXKONCHWUBHU-UHFFFAOYSA-N 2 2 339.418 3.071 20 0 EGADLP Brc1cncc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)c1 ZINC000932252192 1329800413 /nfs/dbraw/zinc/80/04/13/1329800413.db2.gz QTBJXLDCECBIPT-OAHLLOKOSA-N 2 2 335.249 3.268 20 0 EGADLP Brc1cncc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)c1 ZINC000932252192 1329800414 /nfs/dbraw/zinc/80/04/14/1329800414.db2.gz QTBJXLDCECBIPT-OAHLLOKOSA-N 2 2 335.249 3.268 20 0 EGADLP c1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)nc1 ZINC000932386144 1329810721 /nfs/dbraw/zinc/81/07/21/1329810721.db2.gz OFBKEMDKSDQORF-OAQYLSRUSA-N 2 2 337.467 3.155 20 0 EGADLP Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000933569138 1329901971 /nfs/dbraw/zinc/90/19/71/1329901971.db2.gz HODAKSJPTVSUMM-QGZVFWFLSA-N 2 2 337.427 3.018 20 0 EGADLP Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000933569138 1329901972 /nfs/dbraw/zinc/90/19/72/1329901972.db2.gz HODAKSJPTVSUMM-QGZVFWFLSA-N 2 2 337.427 3.018 20 0 EGADLP CCC[N@H+](CCCC(=O)N(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188119 1329953501 /nfs/dbraw/zinc/95/35/01/1329953501.db2.gz JRFTUSURUHXZOW-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP CCC[N@@H+](CCCC(=O)N(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934188119 1329953503 /nfs/dbraw/zinc/95/35/03/1329953503.db2.gz JRFTUSURUHXZOW-UHFFFAOYSA-N 2 2 345.531 3.231 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000866660974 1330138875 /nfs/dbraw/zinc/13/88/75/1330138875.db2.gz JZLWNUHJPGTKCP-HIFRSBDPSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000866660974 1330138876 /nfs/dbraw/zinc/13/88/76/1330138876.db2.gz JZLWNUHJPGTKCP-HIFRSBDPSA-N 2 2 325.884 3.281 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(Cc3ccc(Cl)cc3)CC2)n1 ZINC000866704054 1330143052 /nfs/dbraw/zinc/14/30/52/1330143052.db2.gz OVQPNKPNJPFTAL-UHFFFAOYSA-N 2 2 348.878 3.372 20 0 EGADLP CC1(C)C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940839609 1331215008 /nfs/dbraw/zinc/21/50/08/1331215008.db2.gz OSLYXJGYYXNQBV-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000940839609 1331215009 /nfs/dbraw/zinc/21/50/09/1331215009.db2.gz OSLYXJGYYXNQBV-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCC4CC4)[C@@H](C)C3)ccn12 ZINC000947313826 1333085182 /nfs/dbraw/zinc/08/51/82/1333085182.db2.gz CVFKBZRWKDAMEN-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCC4CC4)[C@@H](C)C3)ccn12 ZINC000947313826 1333085187 /nfs/dbraw/zinc/08/51/87/1333085187.db2.gz CVFKBZRWKDAMEN-KBXCAEBGSA-N 2 2 340.471 3.026 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878756 1333288613 /nfs/dbraw/zinc/28/86/13/1333288613.db2.gz RUBVAOSGIVCBAJ-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000947878756 1333288614 /nfs/dbraw/zinc/28/86/14/1333288614.db2.gz RUBVAOSGIVCBAJ-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000948603762 1333593084 /nfs/dbraw/zinc/59/30/84/1333593084.db2.gz MNXVWICMYVBJKZ-UHFFFAOYSA-N 2 2 349.544 3.004 20 0 EGADLP C[C@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616320 1333598271 /nfs/dbraw/zinc/59/82/71/1333598271.db2.gz HPYHPTGERKAYCI-JKSUJKDBSA-N 2 2 346.450 3.009 20 0 EGADLP C[C@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616320 1333598272 /nfs/dbraw/zinc/59/82/72/1333598272.db2.gz HPYHPTGERKAYCI-JKSUJKDBSA-N 2 2 346.450 3.009 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950047640 1334001756 /nfs/dbraw/zinc/00/17/56/1334001756.db2.gz ALJITBGGIZIVFK-PXNSSMCTSA-N 2 2 343.515 3.153 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950047640 1334001759 /nfs/dbraw/zinc/00/17/59/1334001759.db2.gz ALJITBGGIZIVFK-PXNSSMCTSA-N 2 2 343.515 3.153 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1C ZINC000968597305 1335977992 /nfs/dbraw/zinc/97/79/92/1335977992.db2.gz VQLNXKCCDMBSAN-BEFAXECRSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CCC2CCCCC2)CC[C@H]1C ZINC000968597305 1335977994 /nfs/dbraw/zinc/97/79/94/1335977994.db2.gz VQLNXKCCDMBSAN-BEFAXECRSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+][C@H](C)c4ccccc4)C3)ccn12 ZINC000968670273 1336004040 /nfs/dbraw/zinc/00/40/40/1336004040.db2.gz IQWKPZDKSYFVSY-VQIMIIECSA-N 2 2 348.450 3.208 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205124715 1370657939 /nfs/dbraw/zinc/65/79/39/1370657939.db2.gz YOCRHPJQHALENT-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205124715 1370657945 /nfs/dbraw/zinc/65/79/45/1370657945.db2.gz YOCRHPJQHALENT-ZDUSSCGKSA-N 2 2 327.266 3.161 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000969317767 1336199849 /nfs/dbraw/zinc/19/98/49/1336199849.db2.gz IEQFCMUSWHHRQX-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007530793 1336665114 /nfs/dbraw/zinc/66/51/14/1336665114.db2.gz WFKHSOPTINLKNH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007530793 1336665115 /nfs/dbraw/zinc/66/51/15/1336665115.db2.gz WFKHSOPTINLKNH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007530793 1336665117 /nfs/dbraw/zinc/66/51/17/1336665117.db2.gz WFKHSOPTINLKNH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007530793 1336665119 /nfs/dbraw/zinc/66/51/19/1336665119.db2.gz WFKHSOPTINLKNH-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205925898 1370913923 /nfs/dbraw/zinc/91/39/23/1370913923.db2.gz ZYKCWTSTUJYFAU-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206806132 1371174908 /nfs/dbraw/zinc/17/49/08/1371174908.db2.gz FPIKWKBBHVPSEP-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC001206806132 1371174911 /nfs/dbraw/zinc/17/49/11/1371174911.db2.gz FPIKWKBBHVPSEP-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CC4CCCCC4)C3)ccn12 ZINC001014448464 1337780428 /nfs/dbraw/zinc/78/04/28/1337780428.db2.gz VNLLZNUKQVTLAW-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CC4CCCCC4)C3)ccn12 ZINC001014448464 1337780431 /nfs/dbraw/zinc/78/04/31/1337780431.db2.gz VNLLZNUKQVTLAW-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CCCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001016626316 1338668693 /nfs/dbraw/zinc/66/86/93/1338668693.db2.gz TZTWVJYHJBFHMG-QGZVFWFLSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC([C@H](C)[NH2+]CC3CC3)CC2)c(C)[nH+]1 ZINC001029122231 1340935266 /nfs/dbraw/zinc/93/52/66/1340935266.db2.gz FGZVSUNGYOBDDA-HNNXBMFYSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001029153951 1340944448 /nfs/dbraw/zinc/94/44/48/1340944448.db2.gz XEPMOVSWDHEBFU-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857199 1341097233 /nfs/dbraw/zinc/09/72/33/1341097233.db2.gz WHWYKBYSVWPCBM-SJORKVTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001029857199 1341097235 /nfs/dbraw/zinc/09/72/35/1341097235.db2.gz WHWYKBYSVWPCBM-SJORKVTESA-N 2 2 346.519 3.051 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001029897254 1341109554 /nfs/dbraw/zinc/10/95/54/1341109554.db2.gz OIZIVZKEICSCBO-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001029897254 1341109555 /nfs/dbraw/zinc/10/95/55/1341109555.db2.gz OIZIVZKEICSCBO-SFHVURJKSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)c1 ZINC001031049958 1341270268 /nfs/dbraw/zinc/27/02/68/1341270268.db2.gz UPRGINLRCIFTNM-ROUUACIJSA-N 2 2 343.515 3.121 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001031440296 1341342545 /nfs/dbraw/zinc/34/25/45/1341342545.db2.gz UEKOENCUSLHRJY-PXNSSMCTSA-N 2 2 343.515 3.039 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001031440296 1341342546 /nfs/dbraw/zinc/34/25/46/1341342546.db2.gz UEKOENCUSLHRJY-PXNSSMCTSA-N 2 2 343.515 3.039 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001031773070 1341399623 /nfs/dbraw/zinc/39/96/23/1341399623.db2.gz LVACUJFSDJYNDQ-OAHLLOKOSA-N 2 2 348.450 3.294 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031843918 1341410751 /nfs/dbraw/zinc/41/07/51/1341410751.db2.gz QRTGMFTVEFAAHV-MRXNPFEDSA-N 2 2 348.450 3.066 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033162796 1341742004 /nfs/dbraw/zinc/74/20/04/1341742004.db2.gz CSWSFTZJNZNENP-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033162796 1341742010 /nfs/dbraw/zinc/74/20/10/1341742010.db2.gz CSWSFTZJNZNENP-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033162796 1341742013 /nfs/dbraw/zinc/74/20/13/1341742013.db2.gz CSWSFTZJNZNENP-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033162796 1341742017 /nfs/dbraw/zinc/74/20/17/1341742017.db2.gz CSWSFTZJNZNENP-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001033194161 1341749600 /nfs/dbraw/zinc/74/96/00/1341749600.db2.gz WZEFSOUSRKAONJ-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCCC3)C2)c[nH+]1 ZINC001033194161 1341749601 /nfs/dbraw/zinc/74/96/01/1341749601.db2.gz WZEFSOUSRKAONJ-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554090 1341869222 /nfs/dbraw/zinc/86/92/22/1341869222.db2.gz NKLIQCGCUBKKQQ-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554090 1341869223 /nfs/dbraw/zinc/86/92/23/1341869223.db2.gz NKLIQCGCUBKKQQ-APWZRJJASA-N 2 2 340.471 3.065 20 0 EGADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033949889 1342108540 /nfs/dbraw/zinc/10/85/40/1342108540.db2.gz NQULRWNYWPUWJE-HOTGVXAUSA-N 2 2 346.519 3.189 20 0 EGADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033949889 1342108542 /nfs/dbraw/zinc/10/85/42/1342108542.db2.gz NQULRWNYWPUWJE-HOTGVXAUSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)c(C)[nH+]1 ZINC001034694466 1342696155 /nfs/dbraw/zinc/69/61/55/1342696155.db2.gz TWMHGHSKILFOKI-IYARVYRRSA-N 2 2 329.488 3.438 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001034801308 1342767107 /nfs/dbraw/zinc/76/71/07/1342767107.db2.gz JSSNUEGYTFUJEX-RDGPPVDQSA-N 2 2 346.519 3.117 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001035104107 1342928594 /nfs/dbraw/zinc/92/85/94/1342928594.db2.gz OLAVLXAXNHKFHU-NVXWUHKLSA-N 2 2 340.471 3.029 20 0 EGADLP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035204525 1343017491 /nfs/dbraw/zinc/01/74/91/1343017491.db2.gz JTMZUCDSXPBEPK-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP CCCC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC001035204525 1343017499 /nfs/dbraw/zinc/01/74/99/1343017499.db2.gz JTMZUCDSXPBEPK-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036261779 1343383659 /nfs/dbraw/zinc/38/36/59/1343383659.db2.gz DRGHDUYWKWRJRL-WBVHZDCISA-N 2 2 346.519 3.094 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001036476220 1343506184 /nfs/dbraw/zinc/50/61/84/1343506184.db2.gz YXSNPBOYLSFFIZ-QAPCUYQASA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036749736 1343673489 /nfs/dbraw/zinc/67/34/89/1343673489.db2.gz BEHZIFAKGXLGCZ-DNVCBOLYSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036749736 1343673491 /nfs/dbraw/zinc/67/34/91/1343673491.db2.gz BEHZIFAKGXLGCZ-DNVCBOLYSA-N 2 2 338.455 3.066 20 0 EGADLP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)c1cccc2[nH+]ccn21 ZINC001037043540 1343945676 /nfs/dbraw/zinc/94/56/76/1343945676.db2.gz QFESPCFGJCNIJM-QZTJIDSGSA-N 2 2 348.450 3.023 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001037046844 1343947493 /nfs/dbraw/zinc/94/74/93/1343947493.db2.gz PXWOOHORHSEEPI-QZTJIDSGSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001037944695 1344195022 /nfs/dbraw/zinc/19/50/22/1344195022.db2.gz WNBFMRJHHIQMDT-QZTJIDSGSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+]3CC3CCCCC3)ccn12 ZINC001038252687 1344343475 /nfs/dbraw/zinc/34/34/75/1344343475.db2.gz KOUWQHIIAFEHSY-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+]3CC3CCCCC3)ccn12 ZINC001038252687 1344343480 /nfs/dbraw/zinc/34/34/80/1344343480.db2.gz KOUWQHIIAFEHSY-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001038414165 1344417439 /nfs/dbraw/zinc/41/74/39/1344417439.db2.gz AIIVSXUHCDREET-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001038414165 1344417441 /nfs/dbraw/zinc/41/74/41/1344417441.db2.gz AIIVSXUHCDREET-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP CCc1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415689 1344419457 /nfs/dbraw/zinc/41/94/57/1344419457.db2.gz INYVUXBBAUGMNJ-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccccc1C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415689 1344419458 /nfs/dbraw/zinc/41/94/58/1344419458.db2.gz INYVUXBBAUGMNJ-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)c1 ZINC001038416622 1344419876 /nfs/dbraw/zinc/41/98/76/1344419876.db2.gz NQDXLNXIQAREDN-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)c1 ZINC001038416622 1344419880 /nfs/dbraw/zinc/41/98/80/1344419880.db2.gz NQDXLNXIQAREDN-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394073 1345043178 /nfs/dbraw/zinc/04/31/78/1345043178.db2.gz MJVFMDJPPNWNDB-OIISXLGYSA-N 2 2 340.471 3.288 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039394073 1345043179 /nfs/dbraw/zinc/04/31/79/1345043179.db2.gz MJVFMDJPPNWNDB-OIISXLGYSA-N 2 2 340.471 3.288 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042723927 1346110227 /nfs/dbraw/zinc/11/02/27/1346110227.db2.gz OZVGZGJGWVLULF-QGZVFWFLSA-N 2 2 343.515 3.155 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001044188708 1346269824 /nfs/dbraw/zinc/26/98/24/1346269824.db2.gz MIDJYJQBWCEMHK-UHFFFAOYSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001044295579 1346293928 /nfs/dbraw/zinc/29/39/28/1346293928.db2.gz XVLLXXLMXJOYOT-KRWDZBQOSA-N 2 2 343.515 3.109 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751458 1346419624 /nfs/dbraw/zinc/41/96/24/1346419624.db2.gz TYCQSIFMGQDVIN-RDJZCZTQSA-N 2 2 346.519 3.138 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001044841884 1346442771 /nfs/dbraw/zinc/44/27/71/1346442771.db2.gz OHRIKMSLUUCAGI-MAUKXSAKSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439401 1346593980 /nfs/dbraw/zinc/59/39/80/1346593980.db2.gz LLDDOAARSQIMHM-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001050389821 1348247916 /nfs/dbraw/zinc/24/79/16/1348247916.db2.gz WKWJUXMXOHAWNL-IYARVYRRSA-N 2 2 344.503 3.026 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598910 1348590885 /nfs/dbraw/zinc/59/08/85/1348590885.db2.gz QEXPOJTZECIHNK-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001052598910 1348590886 /nfs/dbraw/zinc/59/08/86/1348590886.db2.gz QEXPOJTZECIHNK-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]CC3CCCC3)[C@@H](C)C2)c(C)[nH+]1 ZINC001054922579 1349515104 /nfs/dbraw/zinc/51/51/04/1349515104.db2.gz ONDIHLPTTAJDRD-KSSFIOAISA-N 2 2 329.488 3.247 20 0 EGADLP CC(C)CC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610054 1354794653 /nfs/dbraw/zinc/79/46/53/1354794653.db2.gz QGNAJJMQLXTQJW-GOEBONIOSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)CC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001071610054 1354794657 /nfs/dbraw/zinc/79/46/57/1354794657.db2.gz QGNAJJMQLXTQJW-GOEBONIOSA-N 2 2 328.460 3.192 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC(C)(C)C ZINC001099325737 1363751891 /nfs/dbraw/zinc/75/18/91/1363751891.db2.gz WQVAPDVPGCGQEG-MRXNPFEDSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC(C)(C)C ZINC001099325737 1363751893 /nfs/dbraw/zinc/75/18/93/1363751893.db2.gz WQVAPDVPGCGQEG-MRXNPFEDSA-N 2 2 348.535 3.304 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001086154985 1359010215 /nfs/dbraw/zinc/01/02/15/1359010215.db2.gz IYDZFZALMSHCCH-KDURUIRLSA-N 2 2 337.467 3.305 20 0 EGADLP CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946007 1359266995 /nfs/dbraw/zinc/26/69/95/1359266995.db2.gz NOKRFHMCINQIMM-ROUUACIJSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946008 1359267177 /nfs/dbraw/zinc/26/71/77/1359267177.db2.gz NOKRFHMCINQIMM-ZWKOTPCHSA-N 2 2 346.519 3.193 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001086959858 1359280173 /nfs/dbraw/zinc/28/01/73/1359280173.db2.gz WMXSBLYTZAJRBW-QGZVFWFLSA-N 2 2 346.519 3.022 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCC1CCCCC1 ZINC001087810183 1359659699 /nfs/dbraw/zinc/65/96/99/1359659699.db2.gz HHIDEAXTLDDDOX-PKOBYXMFSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCC1CCCCC1 ZINC001087810183 1359659703 /nfs/dbraw/zinc/65/97/03/1359659703.db2.gz HHIDEAXTLDDDOX-PKOBYXMFSA-N 2 2 346.519 3.200 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001088433765 1359902280 /nfs/dbraw/zinc/90/22/80/1359902280.db2.gz FILSQPPVDXFNOY-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001088434365 1359902986 /nfs/dbraw/zinc/90/29/86/1359902986.db2.gz XSSXTJJZCKXNTP-IBGZPJMESA-N 2 2 344.503 3.134 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CC1CCCCCC1 ZINC001088635556 1359998607 /nfs/dbraw/zinc/99/86/07/1359998607.db2.gz CGTIWOVNBOUNLQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CC1CCCCCC1 ZINC001088635556 1359998614 /nfs/dbraw/zinc/99/86/14/1359998614.db2.gz CGTIWOVNBOUNLQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CC1CCCCCC1 ZINC001088635556 1359998616 /nfs/dbraw/zinc/99/86/16/1359998616.db2.gz CGTIWOVNBOUNLQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CC1CCCCCC1 ZINC001088635556 1359998620 /nfs/dbraw/zinc/99/86/20/1359998620.db2.gz CGTIWOVNBOUNLQ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP CCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001184399710 1387449447 /nfs/dbraw/zinc/44/94/47/1387449447.db2.gz MAYCTLZYUWHVLQ-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP CC1(C)C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CC2CC2)C1 ZINC001089421710 1360416145 /nfs/dbraw/zinc/41/61/45/1360416145.db2.gz XDVICMPRRHQLSW-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CC2CC2)C1 ZINC001089421710 1360416147 /nfs/dbraw/zinc/41/61/47/1360416147.db2.gz XDVICMPRRHQLSW-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP COc1ccc(C[C@@H](C)[N@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001323928094 1387497563 /nfs/dbraw/zinc/49/75/63/1387497563.db2.gz ARCYNRQWYILVNZ-CQSZACIVSA-N 2 2 333.501 3.276 20 0 EGADLP COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001323928094 1387497565 /nfs/dbraw/zinc/49/75/65/1387497565.db2.gz ARCYNRQWYILVNZ-CQSZACIVSA-N 2 2 333.501 3.276 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092057172 1361285493 /nfs/dbraw/zinc/28/54/93/1361285493.db2.gz MWMDEQVHSRCXNJ-HQRMLTQVSA-N 2 2 346.519 3.051 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001092057172 1361285495 /nfs/dbraw/zinc/28/54/95/1361285495.db2.gz MWMDEQVHSRCXNJ-HQRMLTQVSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619597 1362187613 /nfs/dbraw/zinc/18/76/13/1362187613.db2.gz KYUPFHRKRNCHLY-HFTRVMKXSA-N 2 2 340.471 3.334 20 0 EGADLP CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001095619597 1362187616 /nfs/dbraw/zinc/18/76/16/1362187616.db2.gz KYUPFHRKRNCHLY-HFTRVMKXSA-N 2 2 340.471 3.334 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099110818 1363628582 /nfs/dbraw/zinc/62/85/82/1363628582.db2.gz JLMZFTPDPJSJCZ-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001099110818 1363628586 /nfs/dbraw/zinc/62/85/86/1363628586.db2.gz JLMZFTPDPJSJCZ-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099110818 1363628589 /nfs/dbraw/zinc/62/85/89/1363628589.db2.gz JLMZFTPDPJSJCZ-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001099110818 1363628591 /nfs/dbraw/zinc/62/85/91/1363628591.db2.gz JLMZFTPDPJSJCZ-GVDBMIGSSA-N 2 2 346.519 3.310 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148346 1363655211 /nfs/dbraw/zinc/65/52/11/1363655211.db2.gz CBOCBPYSBLGIDS-IAGOWNOFSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148346 1363655212 /nfs/dbraw/zinc/65/52/12/1363655212.db2.gz CBOCBPYSBLGIDS-IAGOWNOFSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099166087 1363666040 /nfs/dbraw/zinc/66/60/40/1363666040.db2.gz SCPXGLOVYYAJBS-SFHVURJKSA-N 2 2 348.535 3.316 20 0 EGADLP CCC(CC)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001099166087 1363666042 /nfs/dbraw/zinc/66/60/42/1363666042.db2.gz SCPXGLOVYYAJBS-SFHVURJKSA-N 2 2 348.535 3.316 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1)n1cc[nH+]c1 ZINC001099252113 1363714600 /nfs/dbraw/zinc/71/46/00/1363714600.db2.gz RYVCHTARAZXKQE-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CCC1)n1cc[nH+]c1 ZINC001099252113 1363714601 /nfs/dbraw/zinc/71/46/01/1363714601.db2.gz RYVCHTARAZXKQE-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]C(C)C)C2)c(C)[nH+]1 ZINC001099466213 1363808571 /nfs/dbraw/zinc/80/85/71/1363808571.db2.gz ZXVCEOGCZSXKJF-PXNSSMCTSA-N 2 2 329.488 3.247 20 0 EGADLP CCc1c[nH]c2nc[nH+]c(N3CCC(C[NH+]4CCCCC4)CC3)c12 ZINC001185252980 1387660102 /nfs/dbraw/zinc/66/01/02/1387660102.db2.gz KBNMKKXPPSOTTC-UHFFFAOYSA-N 2 2 327.476 3.223 20 0 EGADLP CC/C=C/CC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100446055 1364117665 /nfs/dbraw/zinc/11/76/65/1364117665.db2.gz MQSVEYNKOPWCBB-ONEGZZNKSA-N 2 2 326.444 3.017 20 0 EGADLP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001101546481 1364610420 /nfs/dbraw/zinc/61/04/20/1364610420.db2.gz CQDKDAWEJUEXCN-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001101546481 1364610423 /nfs/dbraw/zinc/61/04/23/1364610423.db2.gz CQDKDAWEJUEXCN-MRXNPFEDSA-N 2 2 348.535 3.243 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414828 1365044898 /nfs/dbraw/zinc/04/48/98/1365044898.db2.gz QIADVVABKPYGAA-YSNLUETFSA-N 2 2 346.519 3.265 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414828 1365044903 /nfs/dbraw/zinc/04/49/03/1365044903.db2.gz QIADVVABKPYGAA-YSNLUETFSA-N 2 2 346.519 3.265 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC001324746493 1387759266 /nfs/dbraw/zinc/75/92/66/1387759266.db2.gz MPRLJCJCPHMSAG-KRWDZBQOSA-N 2 2 326.444 3.260 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC001324746493 1387759268 /nfs/dbraw/zinc/75/92/68/1387759268.db2.gz MPRLJCJCPHMSAG-KRWDZBQOSA-N 2 2 326.444 3.260 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001104738047 1366150999 /nfs/dbraw/zinc/15/09/99/1366150999.db2.gz CWMVWPMRNRNJIE-FGTMMUONSA-N 2 2 348.535 3.345 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738224 1366151325 /nfs/dbraw/zinc/15/13/25/1366151325.db2.gz LWKBKBDVJCLZNC-ZIFCJYIRSA-N 2 2 348.535 3.345 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097072 1366325356 /nfs/dbraw/zinc/32/53/56/1366325356.db2.gz GXVGMMLNNUMPPV-RTBURBONSA-N 2 2 348.535 3.318 20 0 EGADLP CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566799 1366535129 /nfs/dbraw/zinc/53/51/29/1366535129.db2.gz VPRUVIAEXVIWDH-ROUUACIJSA-N 2 2 346.519 3.384 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CCCCCF)[C@H](C)C2)c(C)[nH+]1 ZINC001106455234 1366701233 /nfs/dbraw/zinc/70/12/33/1366701233.db2.gz HIEYILVXHOZHHD-CRAIPNDOSA-N 2 2 349.494 3.444 20 0 EGADLP CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177089 1367191947 /nfs/dbraw/zinc/19/19/47/1367191947.db2.gz PKZSNJPCRCLELP-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190177089 1367191952 /nfs/dbraw/zinc/19/19/52/1367191952.db2.gz PKZSNJPCRCLELP-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576935 1367822785 /nfs/dbraw/zinc/82/27/85/1367822785.db2.gz BJDBDIXOBNPHDA-SJORKVTESA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576935 1367822790 /nfs/dbraw/zinc/82/27/90/1367822790.db2.gz BJDBDIXOBNPHDA-SJORKVTESA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778449 1367871989 /nfs/dbraw/zinc/87/19/89/1367871989.db2.gz NANSZEQONYUMCE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778449 1367871993 /nfs/dbraw/zinc/87/19/93/1367871993.db2.gz NANSZEQONYUMCE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778449 1367871998 /nfs/dbraw/zinc/87/19/98/1367871998.db2.gz NANSZEQONYUMCE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778449 1367872001 /nfs/dbraw/zinc/87/20/01/1367872001.db2.gz NANSZEQONYUMCE-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845531 1368501815 /nfs/dbraw/zinc/50/18/15/1368501815.db2.gz MDCGIMAPEWKRHN-SNAWJCMRSA-N 2 2 340.471 3.147 20 0 EGADLP CC/C=C/CC[N@H+]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001195845531 1368501820 /nfs/dbraw/zinc/50/18/20/1368501820.db2.gz MDCGIMAPEWKRHN-SNAWJCMRSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC([NH2+]CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001201182587 1369491745 /nfs/dbraw/zinc/49/17/45/1369491745.db2.gz JELLMNIOKQTJFF-IBGZPJMESA-N 2 2 346.519 3.241 20 0 EGADLP FC(F)(F)CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202404540 1369762665 /nfs/dbraw/zinc/76/26/65/1369762665.db2.gz FBHGLSLXDRQZMH-HZPDHXFCSA-N 2 2 327.394 3.178 20 0 EGADLP FC(F)(F)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202404540 1369762667 /nfs/dbraw/zinc/76/26/67/1369762667.db2.gz FBHGLSLXDRQZMH-HZPDHXFCSA-N 2 2 327.394 3.178 20 0 EGADLP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202404540 1369762669 /nfs/dbraw/zinc/76/26/69/1369762669.db2.gz FBHGLSLXDRQZMH-HZPDHXFCSA-N 2 2 327.394 3.178 20 0 EGADLP FC(F)(F)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001202404540 1369762672 /nfs/dbraw/zinc/76/26/72/1369762672.db2.gz FBHGLSLXDRQZMH-HZPDHXFCSA-N 2 2 327.394 3.178 20 0 EGADLP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161134 1370005817 /nfs/dbraw/zinc/00/58/17/1370005817.db2.gz PEQKYZSOMCEUDD-IAGOWNOFSA-N 2 2 340.471 3.011 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]([NH2+]C/C=C\Cl)C23CCC3)c(C)[nH+]1 ZINC001203194197 1370020078 /nfs/dbraw/zinc/02/00/78/1370020078.db2.gz ZNAWOPQBPCASQN-BJYXUANLSA-N 2 2 347.890 3.390 20 0 EGADLP COc1ccc2c(Nc3ncccc3N3CC[NH+](C)CC3)cc[nH+]c2c1 ZINC001203524857 1370155557 /nfs/dbraw/zinc/15/55/57/1370155557.db2.gz DZFQRBORRJWIKY-UHFFFAOYSA-N 2 2 349.438 3.134 20 0 EGADLP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203815862 1370275147 /nfs/dbraw/zinc/27/51/47/1370275147.db2.gz RLMKEYTVJGOWEQ-ROUUACIJSA-N 2 2 346.519 3.117 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)c1 ZINC001204053832 1370361618 /nfs/dbraw/zinc/36/16/18/1370361618.db2.gz NXMUYNGYVAQLII-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)c1 ZINC001204053832 1370361624 /nfs/dbraw/zinc/36/16/24/1370361624.db2.gz NXMUYNGYVAQLII-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)c1 ZINC001204053832 1370361628 /nfs/dbraw/zinc/36/16/28/1370361628.db2.gz NXMUYNGYVAQLII-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)c1 ZINC001204053832 1370361633 /nfs/dbraw/zinc/36/16/33/1370361633.db2.gz NXMUYNGYVAQLII-IYBDPMFKSA-N 2 2 342.464 3.041 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204268294 1370427050 /nfs/dbraw/zinc/42/70/50/1370427050.db2.gz HMDQRZGCWVOWQN-UHFFFAOYSA-N 3 2 347.547 3.323 20 0 EGADLP [NH3+]CC[C@H]1C[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CCO1 ZINC001204756172 1370567917 /nfs/dbraw/zinc/56/79/17/1370567917.db2.gz MFIUSIQRWCYSFD-SFHVURJKSA-N 2 2 330.403 3.168 20 0 EGADLP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CCO1 ZINC001204756172 1370567920 /nfs/dbraw/zinc/56/79/20/1370567920.db2.gz MFIUSIQRWCYSFD-SFHVURJKSA-N 2 2 330.403 3.168 20 0 EGADLP CC(C)C[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCCC1)n1cc[nH+]c1 ZINC001115583416 1370585482 /nfs/dbraw/zinc/58/54/82/1370585482.db2.gz BUOITSVZEUTSKG-GOSISDBHSA-N 2 2 346.519 3.289 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc2cc(Br)cnc21 ZINC001204933840 1370610202 /nfs/dbraw/zinc/61/02/02/1370610202.db2.gz WXWDEOBOBPBNOT-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc2cc(Br)cnc21 ZINC001204933840 1370610206 /nfs/dbraw/zinc/61/02/06/1370610206.db2.gz WXWDEOBOBPBNOT-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001204933921 1370609736 /nfs/dbraw/zinc/60/97/36/1370609736.db2.gz YHNLQRRQQHZKDW-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001204933921 1370609738 /nfs/dbraw/zinc/60/97/38/1370609738.db2.gz YHNLQRRQQHZKDW-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)c1cccc2[nH+]ccn21 ZINC001115627790 1370620897 /nfs/dbraw/zinc/62/08/97/1370620897.db2.gz RBFWLMKKDRNFCJ-UHFFFAOYSA-N 2 2 340.471 3.157 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001205046973 1370637223 /nfs/dbraw/zinc/63/72/23/1370637223.db2.gz XTGFMEFHWLQXJZ-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001205046973 1370637231 /nfs/dbraw/zinc/63/72/31/1370637231.db2.gz XTGFMEFHWLQXJZ-IBGZPJMESA-N 2 2 332.488 3.162 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)c(Cl)c1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117491 1370655675 /nfs/dbraw/zinc/65/56/75/1370655675.db2.gz PHXHITSVOVZPNR-HNNXBMFYSA-N 2 2 332.879 3.456 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)c(Cl)c1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117491 1370655679 /nfs/dbraw/zinc/65/56/79/1370655679.db2.gz PHXHITSVOVZPNR-HNNXBMFYSA-N 2 2 332.879 3.456 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)cc1F ZINC001205214843 1370684575 /nfs/dbraw/zinc/68/45/75/1370684575.db2.gz CZAYDUMYMOMFIR-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)cc1F ZINC001205214843 1370684579 /nfs/dbraw/zinc/68/45/79/1370684579.db2.gz CZAYDUMYMOMFIR-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1F ZINC001205214843 1370684582 /nfs/dbraw/zinc/68/45/82/1370684582.db2.gz CZAYDUMYMOMFIR-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)cc1F ZINC001205214843 1370684586 /nfs/dbraw/zinc/68/45/86/1370684586.db2.gz CZAYDUMYMOMFIR-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP C[C@H]1CC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306568 1370715507 /nfs/dbraw/zinc/71/55/07/1370715507.db2.gz XREQJBKWKDDKTA-STQMWFEESA-N 2 2 342.940 3.204 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306568 1370715508 /nfs/dbraw/zinc/71/55/08/1370715508.db2.gz XREQJBKWKDDKTA-STQMWFEESA-N 2 2 342.940 3.204 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001205330967 1370723647 /nfs/dbraw/zinc/72/36/47/1370723647.db2.gz BHHVRTHONWNJBC-GFCCVEGCSA-N 2 2 338.377 3.279 20 0 EGADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001205330967 1370723649 /nfs/dbraw/zinc/72/36/49/1370723649.db2.gz BHHVRTHONWNJBC-GFCCVEGCSA-N 2 2 338.377 3.279 20 0 EGADLP CC[C@H]([NH3+])C[NH+]1CCC(Oc2ccccc2OC(F)(F)F)CC1 ZINC001205340216 1370726928 /nfs/dbraw/zinc/72/69/28/1370726928.db2.gz RSWLNROFJRRKKZ-LBPRGKRZSA-N 2 2 332.366 3.166 20 0 EGADLP C[N@@H+](Cc1cccc2c3ccccc3sc21)C[C@@H]1C[NH2+]CCO1 ZINC001205377588 1370735465 /nfs/dbraw/zinc/73/54/65/1370735465.db2.gz ZHLXXZVHLVHRJF-HNNXBMFYSA-N 2 2 326.465 3.475 20 0 EGADLP C[N@H+](Cc1cccc2c3ccccc3sc21)C[C@@H]1C[NH2+]CCO1 ZINC001205377588 1370735466 /nfs/dbraw/zinc/73/54/66/1370735466.db2.gz ZHLXXZVHLVHRJF-HNNXBMFYSA-N 2 2 326.465 3.475 20 0 EGADLP C[N@@H+](Cc1ccccc1-c1ccccc1Cl)C[C@H]1C[NH2+]CCO1 ZINC001205376847 1370735766 /nfs/dbraw/zinc/73/57/66/1370735766.db2.gz PDBIVEDZKXSPRE-MRXNPFEDSA-N 2 2 330.859 3.427 20 0 EGADLP C[N@H+](Cc1ccccc1-c1ccccc1Cl)C[C@H]1C[NH2+]CCO1 ZINC001205376847 1370735769 /nfs/dbraw/zinc/73/57/69/1370735769.db2.gz PDBIVEDZKXSPRE-MRXNPFEDSA-N 2 2 330.859 3.427 20 0 EGADLP C[NH+](C)Cc1c(F)cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1F ZINC001205600395 1370806715 /nfs/dbraw/zinc/80/67/15/1370806715.db2.gz OIRKMEKZKCYNAV-UHFFFAOYSA-N 2 2 331.410 3.103 20 0 EGADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828489 1370885108 /nfs/dbraw/zinc/88/51/08/1370885108.db2.gz LOJJXKWZPCTSDI-DGCLKSJQSA-N 2 2 334.357 3.483 20 0 EGADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828489 1370885112 /nfs/dbraw/zinc/88/51/12/1370885112.db2.gz LOJJXKWZPCTSDI-DGCLKSJQSA-N 2 2 334.357 3.483 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Br ZINC001205923932 1370913412 /nfs/dbraw/zinc/91/34/12/1370913412.db2.gz QLMKUNGINRAWNW-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1Br ZINC001205923932 1370913417 /nfs/dbraw/zinc/91/34/17/1370913417.db2.gz QLMKUNGINRAWNW-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205925898 1370913922 /nfs/dbraw/zinc/91/39/22/1370913922.db2.gz ZYKCWTSTUJYFAU-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP [NH3+][C@H]1CCCC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205939991 1370919058 /nfs/dbraw/zinc/91/90/58/1370919058.db2.gz YBWKMGJHTQJTJR-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@H]1CCCC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205939991 1370919060 /nfs/dbraw/zinc/91/90/60/1370919060.db2.gz YBWKMGJHTQJTJR-HNNXBMFYSA-N 2 2 334.261 3.311 20 0 EGADLP CN(CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC001326041245 1388104533 /nfs/dbraw/zinc/10/45/33/1388104533.db2.gz QGBNMDXUAOHCID-SFHVURJKSA-N 2 2 326.488 3.201 20 0 EGADLP CN(CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC001326041245 1388104538 /nfs/dbraw/zinc/10/45/38/1388104538.db2.gz QGBNMDXUAOHCID-SFHVURJKSA-N 2 2 326.488 3.201 20 0 EGADLP [NH3+][C@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@H]1F ZINC001206182492 1370984167 /nfs/dbraw/zinc/98/41/67/1370984167.db2.gz AMDROWJEURRVDP-OLZOCXBDSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@H]1F ZINC001206182492 1370984171 /nfs/dbraw/zinc/98/41/71/1370984171.db2.gz AMDROWJEURRVDP-OLZOCXBDSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+]Cc1cccc(C[N@@H+]2CCc3cc(Br)ccc3C2)c1 ZINC001206297655 1371015416 /nfs/dbraw/zinc/01/54/16/1371015416.db2.gz ZNMIREPVMONMDV-UHFFFAOYSA-N 2 2 331.257 3.466 20 0 EGADLP [NH3+]Cc1cccc(C[N@H+]2CCc3cc(Br)ccc3C2)c1 ZINC001206297655 1371015422 /nfs/dbraw/zinc/01/54/22/1371015422.db2.gz ZNMIREPVMONMDV-UHFFFAOYSA-N 2 2 331.257 3.466 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343540 1371027807 /nfs/dbraw/zinc/02/78/07/1371027807.db2.gz GJOCQYLUIXRMLL-IBGZPJMESA-N 2 2 330.451 3.142 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343540 1371027811 /nfs/dbraw/zinc/02/78/11/1371027811.db2.gz GJOCQYLUIXRMLL-IBGZPJMESA-N 2 2 330.451 3.142 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1O ZINC001206574744 1371097679 /nfs/dbraw/zinc/09/76/79/1371097679.db2.gz UMUYUVCBGYFONM-MRXNPFEDSA-N 2 2 341.293 3.414 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1O ZINC001206574744 1371097686 /nfs/dbraw/zinc/09/76/86/1371097686.db2.gz UMUYUVCBGYFONM-MRXNPFEDSA-N 2 2 341.293 3.414 20 0 EGADLP Cc1c(F)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206624720 1371112922 /nfs/dbraw/zinc/11/29/22/1371112922.db2.gz YQJXWKCHTWURPC-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1c(F)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206624720 1371112923 /nfs/dbraw/zinc/11/29/23/1371112923.db2.gz YQJXWKCHTWURPC-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206640748 1371116312 /nfs/dbraw/zinc/11/63/12/1371116312.db2.gz MPGSZOSWJJTWNV-AWEZNQCLSA-N 2 2 341.293 3.409 20 0 EGADLP CCOc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206640748 1371116317 /nfs/dbraw/zinc/11/63/17/1371116317.db2.gz MPGSZOSWJJTWNV-AWEZNQCLSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1O ZINC001206808061 1371175323 /nfs/dbraw/zinc/17/53/23/1371175323.db2.gz JSBLMIYQTOZMQK-NEPJUHHUSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1O ZINC001206808061 1371175328 /nfs/dbraw/zinc/17/53/28/1371175328.db2.gz JSBLMIYQTOZMQK-NEPJUHHUSA-N 2 2 327.266 3.022 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206808719 1371175987 /nfs/dbraw/zinc/17/59/87/1371175987.db2.gz KEUREOAJSMITDW-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206808719 1371175990 /nfs/dbraw/zinc/17/59/90/1371175990.db2.gz KEUREOAJSMITDW-CHWSQXEVSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206808722 1371176210 /nfs/dbraw/zinc/17/62/10/1371176210.db2.gz KEUREOAJSMITDW-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206808722 1371176212 /nfs/dbraw/zinc/17/62/12/1371176212.db2.gz KEUREOAJSMITDW-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557057 1371198391 /nfs/dbraw/zinc/19/83/91/1371198391.db2.gz NADLVGLXHHSWJN-KRWDZBQOSA-N 2 2 345.462 3.097 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557057 1371198395 /nfs/dbraw/zinc/19/83/95/1371198395.db2.gz NADLVGLXHHSWJN-KRWDZBQOSA-N 2 2 345.462 3.097 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557057 1371198398 /nfs/dbraw/zinc/19/83/98/1371198398.db2.gz NADLVGLXHHSWJN-KRWDZBQOSA-N 2 2 345.462 3.097 20 0 EGADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC001118557057 1371198401 /nfs/dbraw/zinc/19/84/01/1371198401.db2.gz NADLVGLXHHSWJN-KRWDZBQOSA-N 2 2 345.462 3.097 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@H+](CCCC(C)C)C[C@H]3C)ccn12 ZINC001206973470 1371253687 /nfs/dbraw/zinc/25/36/87/1371253687.db2.gz JNRYPJPJWRPWSE-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[N@@H+](CCCC(C)C)C[C@H]3C)ccn12 ZINC001206973470 1371253689 /nfs/dbraw/zinc/25/36/89/1371253689.db2.gz JNRYPJPJWRPWSE-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc2)cn1 ZINC001326200841 1388126980 /nfs/dbraw/zinc/12/69/80/1388126980.db2.gz DJCNHMLUASWBDO-LEWJYISDSA-N 2 2 332.451 3.014 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc2)cn1 ZINC001326200841 1388126982 /nfs/dbraw/zinc/12/69/82/1388126982.db2.gz DJCNHMLUASWBDO-LEWJYISDSA-N 2 2 332.451 3.014 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1Cl ZINC001119321071 1371310109 /nfs/dbraw/zinc/31/01/09/1371310109.db2.gz XVNNFBFBCNIPMM-SFHVURJKSA-N 2 2 343.858 3.055 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC001207174189 1371320672 /nfs/dbraw/zinc/32/06/72/1371320672.db2.gz CCKKPNMTTYDRTH-UHFFFAOYSA-N 2 2 349.567 3.094 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323605 1371361801 /nfs/dbraw/zinc/36/18/01/1371361801.db2.gz VPQAXAFPVDQRHW-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323605 1371361806 /nfs/dbraw/zinc/36/18/06/1371361806.db2.gz VPQAXAFPVDQRHW-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323605 1371361811 /nfs/dbraw/zinc/36/18/11/1371361811.db2.gz VPQAXAFPVDQRHW-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323605 1371361816 /nfs/dbraw/zinc/36/18/16/1371361816.db2.gz VPQAXAFPVDQRHW-NVXWUHKLSA-N 2 2 337.305 3.408 20 0 EGADLP CC1(C)C[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355077 1371371775 /nfs/dbraw/zinc/37/17/75/1371371775.db2.gz DRVLXXLZJBUFQW-AQNXPRMDSA-N 2 2 343.515 3.041 20 0 EGADLP CC1(C)C[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355077 1371371778 /nfs/dbraw/zinc/37/17/78/1371371778.db2.gz DRVLXXLZJBUFQW-AQNXPRMDSA-N 2 2 343.515 3.041 20 0 EGADLP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355077 1371371782 /nfs/dbraw/zinc/37/17/82/1371371782.db2.gz DRVLXXLZJBUFQW-AQNXPRMDSA-N 2 2 343.515 3.041 20 0 EGADLP CC1(C)C[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355077 1371371787 /nfs/dbraw/zinc/37/17/87/1371371787.db2.gz DRVLXXLZJBUFQW-AQNXPRMDSA-N 2 2 343.515 3.041 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659279 1371466725 /nfs/dbraw/zinc/46/67/25/1371466725.db2.gz QJTYTFKVQPCUSV-KURKYZTESA-N 2 2 334.508 3.097 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659279 1371466728 /nfs/dbraw/zinc/46/67/28/1371466728.db2.gz QJTYTFKVQPCUSV-KURKYZTESA-N 2 2 334.508 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001120062148 1371473961 /nfs/dbraw/zinc/47/39/61/1371473961.db2.gz FNCMAMUFEFUYTF-UHFFFAOYSA-N 2 2 344.503 3.170 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050560 1371581188 /nfs/dbraw/zinc/58/11/88/1371581188.db2.gz ZVQIREAUFGOHQM-WRFKIARRSA-N 2 2 340.471 3.193 20 0 EGADLP C(CC1CCCC1)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001208090539 1371594401 /nfs/dbraw/zinc/59/44/01/1371594401.db2.gz BQCJEDJNSLYOAN-UHFFFAOYSA-N 2 2 345.535 3.093 20 0 EGADLP C(CC1CCCC1)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001208090539 1371594404 /nfs/dbraw/zinc/59/44/04/1371594404.db2.gz BQCJEDJNSLYOAN-UHFFFAOYSA-N 2 2 345.535 3.093 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001208551490 1371813766 /nfs/dbraw/zinc/81/37/66/1371813766.db2.gz LHMDPFSGDIQKJG-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP CCC[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614964 1371842081 /nfs/dbraw/zinc/84/20/81/1371842081.db2.gz FZXSZNYGRNLSLQ-MSOLQXFVSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614964 1371842086 /nfs/dbraw/zinc/84/20/86/1371842086.db2.gz FZXSZNYGRNLSLQ-MSOLQXFVSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614964 1371842090 /nfs/dbraw/zinc/84/20/90/1371842090.db2.gz FZXSZNYGRNLSLQ-MSOLQXFVSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614964 1371842098 /nfs/dbraw/zinc/84/20/98/1371842098.db2.gz FZXSZNYGRNLSLQ-MSOLQXFVSA-N 2 2 331.504 3.376 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892353 1371934588 /nfs/dbraw/zinc/93/45/88/1371934588.db2.gz OXHVHWYRHMFXKA-UPJWGTAASA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892353 1371934591 /nfs/dbraw/zinc/93/45/91/1371934591.db2.gz OXHVHWYRHMFXKA-UPJWGTAASA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892353 1371934593 /nfs/dbraw/zinc/93/45/93/1371934593.db2.gz OXHVHWYRHMFXKA-UPJWGTAASA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892353 1371934597 /nfs/dbraw/zinc/93/45/97/1371934597.db2.gz OXHVHWYRHMFXKA-UPJWGTAASA-N 2 2 333.423 3.238 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942980 1371957609 /nfs/dbraw/zinc/95/76/09/1371957609.db2.gz KONPKYDKMQBROS-BHDDXSALSA-N 3 2 341.543 3.172 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208942980 1371957612 /nfs/dbraw/zinc/95/76/12/1371957612.db2.gz KONPKYDKMQBROS-BHDDXSALSA-N 3 2 341.543 3.172 20 0 EGADLP COCCCC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001209215807 1372040241 /nfs/dbraw/zinc/04/02/41/1372040241.db2.gz FPXWVLKUFGMSFA-UHFFFAOYSA-N 2 2 325.412 3.420 20 0 EGADLP CC(C)[N@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209368116 1372079360 /nfs/dbraw/zinc/07/93/60/1372079360.db2.gz GBDBADXOLKIYRK-UHFFFAOYSA-N 2 2 327.513 3.096 20 0 EGADLP CC(C)[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001209368116 1372079362 /nfs/dbraw/zinc/07/93/62/1372079362.db2.gz GBDBADXOLKIYRK-UHFFFAOYSA-N 2 2 327.513 3.096 20 0 EGADLP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382622 1372084820 /nfs/dbraw/zinc/08/48/20/1372084820.db2.gz UIHLLVOFQNSFET-ZVXZJYCBSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382622 1372084823 /nfs/dbraw/zinc/08/48/23/1372084823.db2.gz UIHLLVOFQNSFET-ZVXZJYCBSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382622 1372084827 /nfs/dbraw/zinc/08/48/27/1372084827.db2.gz UIHLLVOFQNSFET-ZVXZJYCBSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)C[C@H](C)O1 ZINC001209382622 1372084832 /nfs/dbraw/zinc/08/48/32/1372084832.db2.gz UIHLLVOFQNSFET-ZVXZJYCBSA-N 2 2 343.515 3.039 20 0 EGADLP Cc1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c[nH]c21 ZINC001209483926 1372117326 /nfs/dbraw/zinc/11/73/26/1372117326.db2.gz CFGXMNZRAUTYQQ-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)c1 ZINC001209499542 1372121620 /nfs/dbraw/zinc/12/16/20/1372121620.db2.gz MRJFHZZGUWFFIN-UHFFFAOYSA-N 2 2 336.439 3.202 20 0 EGADLP c1cc2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc2[nH]1 ZINC001209511853 1372125146 /nfs/dbraw/zinc/12/51/46/1372125146.db2.gz YXOJRTYLFJSDET-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc2[nH]1 ZINC001209511853 1372125153 /nfs/dbraw/zinc/12/51/53/1372125153.db2.gz YXOJRTYLFJSDET-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)cc2[nH]1 ZINC001209511853 1372125155 /nfs/dbraw/zinc/12/51/55/1372125155.db2.gz YXOJRTYLFJSDET-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)cc2[nH]1 ZINC001209511853 1372125160 /nfs/dbraw/zinc/12/51/60/1372125160.db2.gz YXOJRTYLFJSDET-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209694907 1372172824 /nfs/dbraw/zinc/17/28/24/1372172824.db2.gz ZMDPTDNMKXEVRK-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209694907 1372172831 /nfs/dbraw/zinc/17/28/31/1372172831.db2.gz ZMDPTDNMKXEVRK-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnccn3)C[C@@H]21 ZINC001209780776 1372194936 /nfs/dbraw/zinc/19/49/36/1372194936.db2.gz DLRPNNNQXPWPQN-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnccn3)C[C@@H]21 ZINC001209780776 1372194942 /nfs/dbraw/zinc/19/49/42/1372194942.db2.gz DLRPNNNQXPWPQN-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnccn3)C[C@@H]21 ZINC001209780776 1372194945 /nfs/dbraw/zinc/19/49/45/1372194945.db2.gz DLRPNNNQXPWPQN-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnccn3)C[C@@H]21 ZINC001209780776 1372194950 /nfs/dbraw/zinc/19/49/50/1372194950.db2.gz DLRPNNNQXPWPQN-ZYSHUDEJSA-N 2 2 342.512 3.271 20 0 EGADLP C[C@@H]([NH3+])c1ncc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)s1 ZINC001213205137 1372860043 /nfs/dbraw/zinc/86/00/43/1372860043.db2.gz NEYHDNZLCYEKOL-SNVBAGLBSA-N 2 2 338.396 3.066 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001215704864 1373233985 /nfs/dbraw/zinc/23/39/85/1373233985.db2.gz AUXNZGQHULJNNL-BRWVUGGUSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001216182408 1373276227 /nfs/dbraw/zinc/27/62/27/1373276227.db2.gz UIDFAIUBHPNXBA-VQIMIIECSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccc(N2CCC[C@@H](OCc3ccc4c(c3)CC[NH2+]C4)C2)[nH+]c1 ZINC001217914507 1373512406 /nfs/dbraw/zinc/51/24/06/1373512406.db2.gz ZJDWTWSHRLZJQH-HXUWFJFHSA-N 2 2 337.467 3.221 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cnc3cc(Cl)ccc3c2)cc1 ZINC001218648651 1373640335 /nfs/dbraw/zinc/64/03/35/1373640335.db2.gz IBIVABKYJLSORF-MRXNPFEDSA-N 2 2 340.814 3.099 20 0 EGADLP Cc1ccc(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)c(C)c1 ZINC001131560239 1373721846 /nfs/dbraw/zinc/72/18/46/1373721846.db2.gz DLFYOZFNKDNOPL-UHFFFAOYSA-N 2 2 325.456 3.143 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091245 1375141095 /nfs/dbraw/zinc/14/10/95/1375141095.db2.gz VCIILBNIEXETDL-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132091245 1375141098 /nfs/dbraw/zinc/14/10/98/1375141098.db2.gz VCIILBNIEXETDL-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCC1CCCCC1 ZINC001132091245 1375141100 /nfs/dbraw/zinc/14/11/00/1375141100.db2.gz VCIILBNIEXETDL-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCC1CCCCC1 ZINC001132091245 1375141105 /nfs/dbraw/zinc/14/11/05/1375141105.db2.gz VCIILBNIEXETDL-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP CCCCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132133064 1375163864 /nfs/dbraw/zinc/16/38/64/1375163864.db2.gz XLXJSRMDESUDJQ-GOEBONIOSA-N 2 2 328.460 3.336 20 0 EGADLP CCCCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132133064 1375163867 /nfs/dbraw/zinc/16/38/67/1375163867.db2.gz XLXJSRMDESUDJQ-GOEBONIOSA-N 2 2 328.460 3.336 20 0 EGADLP Nc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC001226418024 1375256124 /nfs/dbraw/zinc/25/61/24/1375256124.db2.gz GLENIHGXBFVEMS-KRWDZBQOSA-N 2 2 349.434 3.097 20 0 EGADLP Nc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC001226418024 1375256127 /nfs/dbraw/zinc/25/61/27/1375256127.db2.gz GLENIHGXBFVEMS-KRWDZBQOSA-N 2 2 349.434 3.097 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC(C)(C)C ZINC001132546568 1375453600 /nfs/dbraw/zinc/45/36/00/1375453600.db2.gz NXYRURQGBPLXNM-SJORKVTESA-N 2 2 334.508 3.069 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC(C)(C)C ZINC001132546568 1375453603 /nfs/dbraw/zinc/45/36/03/1375453603.db2.gz NXYRURQGBPLXNM-SJORKVTESA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919271 1375643926 /nfs/dbraw/zinc/64/39/26/1375643926.db2.gz HKQZVEKXKSEXSV-DOTOQJQBSA-N 2 2 342.487 3.297 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)n1cc[nH+]c1 ZINC001228852348 1375693365 /nfs/dbraw/zinc/69/33/65/1375693365.db2.gz JBIKTQKYWTZXJX-QXAKKESOSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1C ZINC001132983444 1375693670 /nfs/dbraw/zinc/69/36/70/1375693670.db2.gz ZIEKCEKHBRFJDN-IAGOWNOFSA-N 2 2 342.487 3.068 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C ZINC001133287847 1375898012 /nfs/dbraw/zinc/89/80/12/1375898012.db2.gz FHLJQSSYPYCRHV-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230628598 1376108251 /nfs/dbraw/zinc/10/82/51/1376108251.db2.gz JVNYPDFHKSVJSI-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230628598 1376108258 /nfs/dbraw/zinc/10/82/58/1376108258.db2.gz JVNYPDFHKSVJSI-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012811 1376381385 /nfs/dbraw/zinc/38/13/85/1376381385.db2.gz SRIPJUYKOJYFMQ-DLBZAZTESA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012811 1376381394 /nfs/dbraw/zinc/38/13/94/1376381394.db2.gz SRIPJUYKOJYFMQ-DLBZAZTESA-N 2 2 342.443 3.147 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134234772 1376427022 /nfs/dbraw/zinc/42/70/22/1376427022.db2.gz JYRPSLWYIFOTQK-ZIAGYGMSSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC3CCCC3)ccn12 ZINC001134369276 1376497907 /nfs/dbraw/zinc/49/79/07/1376497907.db2.gz JHVHQGQAJZWXLS-HUUCEWRRSA-N 2 2 342.487 3.319 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001134499223 1376570698 /nfs/dbraw/zinc/57/06/98/1376570698.db2.gz YRPXYZCYCXLSOS-IRXDYDNUSA-N 2 2 342.487 3.425 20 0 EGADLP Cc1c[nH]c(=O)c(C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)c1 ZINC001233194358 1376582898 /nfs/dbraw/zinc/58/28/98/1376582898.db2.gz QMNZKDZANSJHAE-UHFFFAOYSA-N 2 2 343.446 3.331 20 0 EGADLP Cc1c[nH]c(=O)c(C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)c1 ZINC001233194358 1376582903 /nfs/dbraw/zinc/58/29/03/1376582903.db2.gz QMNZKDZANSJHAE-UHFFFAOYSA-N 2 2 343.446 3.331 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)s1 ZINC001134548506 1376585999 /nfs/dbraw/zinc/58/59/99/1376585999.db2.gz HCHAALVQRHMMMF-OLZOCXBDSA-N 2 2 348.516 3.094 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)s1 ZINC001134548506 1376586002 /nfs/dbraw/zinc/58/60/02/1376586002.db2.gz HCHAALVQRHMMMF-OLZOCXBDSA-N 2 2 348.516 3.094 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001134729125 1376682209 /nfs/dbraw/zinc/68/22/09/1376682209.db2.gz FUQVONOHYXNYEY-HUUCEWRRSA-N 2 2 336.524 3.236 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001134733383 1376684843 /nfs/dbraw/zinc/68/48/43/1376684843.db2.gz YYWACQQHVRZZKK-JKSUJKDBSA-N 2 2 347.503 3.086 20 0 EGADLP O=c1[nH]cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC001233964012 1376744673 /nfs/dbraw/zinc/74/46/73/1376744673.db2.gz IGFXMDGAOCXHSP-UHFFFAOYSA-N 2 2 325.456 3.391 20 0 EGADLP c1ccc2c(c1)Cc1cc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)ccc1-2 ZINC001235120501 1376851336 /nfs/dbraw/zinc/85/13/36/1376851336.db2.gz SIWIXDZBMUYYAK-QFIPXVFZSA-N 2 2 334.463 3.212 20 0 EGADLP c1ccc2c(c1)Cc1cc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)ccc1-2 ZINC001235120501 1376851341 /nfs/dbraw/zinc/85/13/41/1376851341.db2.gz SIWIXDZBMUYYAK-QFIPXVFZSA-N 2 2 334.463 3.212 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633819 1376880875 /nfs/dbraw/zinc/88/08/75/1376880875.db2.gz QSEKLSDGIOKRSS-QZTJIDSGSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633819 1376880880 /nfs/dbraw/zinc/88/08/80/1376880880.db2.gz QSEKLSDGIOKRSS-QZTJIDSGSA-N 2 2 348.535 3.439 20 0 EGADLP CC[N@H+](Cc1cc(Br)cc(C)c1F)C1CC[NH2+]CC1 ZINC001235764529 1376889619 /nfs/dbraw/zinc/88/96/19/1376889619.db2.gz ITVMRDOZLVJPFC-UHFFFAOYSA-N 2 2 329.257 3.471 20 0 EGADLP CC[N@@H+](Cc1cc(Br)cc(C)c1F)C1CC[NH2+]CC1 ZINC001235764529 1376889660 /nfs/dbraw/zinc/88/96/60/1376889660.db2.gz ITVMRDOZLVJPFC-UHFFFAOYSA-N 2 2 329.257 3.471 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)C[NH2+]C5)C[C@@H]3C2)cc1 ZINC001236182939 1376939609 /nfs/dbraw/zinc/93/96/09/1376939609.db2.gz AVPXNEDUJCICCL-JTHBVZDNSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc5c(c4)C[NH2+]C5)C[C@@H]3C2)cc1 ZINC001236182939 1376939618 /nfs/dbraw/zinc/93/96/18/1376939618.db2.gz AVPXNEDUJCICCL-JTHBVZDNSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)C[NH2+]C5)C[C@@H]3C2)cc1 ZINC001236182939 1376939622 /nfs/dbraw/zinc/93/96/22/1376939622.db2.gz AVPXNEDUJCICCL-JTHBVZDNSA-N 3 2 347.506 3.244 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)C[NH2+]C5)C[C@@H]3C2)cc1 ZINC001236182939 1376939626 /nfs/dbraw/zinc/93/96/26/1376939626.db2.gz AVPXNEDUJCICCL-JTHBVZDNSA-N 3 2 347.506 3.244 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240025988 1377011494 /nfs/dbraw/zinc/01/14/94/1377011494.db2.gz UMAXPXHPJFULPE-LJQANCHMSA-N 2 2 337.467 3.025 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001240025988 1377011499 /nfs/dbraw/zinc/01/14/99/1377011499.db2.gz UMAXPXHPJFULPE-LJQANCHMSA-N 2 2 337.467 3.025 20 0 EGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+]C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246297050 1377050898 /nfs/dbraw/zinc/05/08/98/1377050898.db2.gz KGRNLGRNRVHYGQ-ORFBVSJDSA-N 3 2 341.543 3.205 20 0 EGADLP CC(C)c1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001250746007 1377083524 /nfs/dbraw/zinc/08/35/24/1377083524.db2.gz MJGGLQNMOLMXFJ-HXUWFJFHSA-N 2 2 346.515 3.110 20 0 EGADLP O=C1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)CCN1Cc1ccccc1 ZINC001258569567 1377117826 /nfs/dbraw/zinc/11/78/26/1377117826.db2.gz YZVZLSFVLWYNGR-HXUWFJFHSA-N 2 2 343.515 3.033 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCC1CCCCCC1 ZINC001135552223 1377141818 /nfs/dbraw/zinc/14/18/18/1377141818.db2.gz CIQOSBGAMFXHFW-CVEARBPZSA-N 2 2 334.508 3.186 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135798120 1377213508 /nfs/dbraw/zinc/21/35/08/1377213508.db2.gz BFGDXCINGKWNJY-HOTGVXAUSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840279 1377228517 /nfs/dbraw/zinc/22/85/17/1377228517.db2.gz GHIBOESBDAZGNV-JKSUJKDBSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001136032039 1377305510 /nfs/dbraw/zinc/30/55/10/1377305510.db2.gz VENKVGYUHBXPRN-GJZGRUSLSA-N 2 2 332.492 3.024 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001136032041 1377305767 /nfs/dbraw/zinc/30/57/67/1377305767.db2.gz VENKVGYUHBXPRN-LSDHHAIUSA-N 2 2 332.492 3.024 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CCC1=CCCCC1 ZINC001136053630 1377315123 /nfs/dbraw/zinc/31/51/23/1377315123.db2.gz CPMHQROOODZYFZ-SJORKVTESA-N 2 2 346.519 3.116 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC001137651876 1377582993 /nfs/dbraw/zinc/58/29/93/1377582993.db2.gz FRBPELKACWYONV-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP c1cc(N2CCCCC2)oc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001138178657 1377687818 /nfs/dbraw/zinc/68/78/18/1377687818.db2.gz PUZSHBGGEZNUIV-SFHVURJKSA-N 2 2 327.428 3.318 20 0 EGADLP c1cc(N2CCCCC2)oc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001138178657 1377687819 /nfs/dbraw/zinc/68/78/19/1377687819.db2.gz PUZSHBGGEZNUIV-SFHVURJKSA-N 2 2 327.428 3.318 20 0 EGADLP COC(=O)c1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001138260679 1377695581 /nfs/dbraw/zinc/69/55/81/1377695581.db2.gz OWZAYLOBDNKBTJ-UHFFFAOYSA-N 2 2 341.455 3.015 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001138398162 1377717284 /nfs/dbraw/zinc/71/72/84/1377717284.db2.gz PDKQKPCHIRWBSZ-RTBURBONSA-N 2 2 346.478 3.435 20 0 EGADLP CC[N@H+](Cc1c(C)nn(Cc2ccccc2)c1C)C1CC[NH+](C)CC1 ZINC001138506600 1377735215 /nfs/dbraw/zinc/73/52/15/1377735215.db2.gz UYVXOAFGMFVLFH-UHFFFAOYSA-N 2 2 340.515 3.464 20 0 EGADLP CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1C)C1CC[NH+](C)CC1 ZINC001138506600 1377735218 /nfs/dbraw/zinc/73/52/18/1377735218.db2.gz UYVXOAFGMFVLFH-UHFFFAOYSA-N 2 2 340.515 3.464 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)nn(Cc2ccccc2)c1C ZINC001138504542 1377735270 /nfs/dbraw/zinc/73/52/70/1377735270.db2.gz FGAVBDYXQSLNAT-UHFFFAOYSA-N 2 2 337.471 3.267 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)nn(Cc2ccccc2)c1C ZINC001138504542 1377735271 /nfs/dbraw/zinc/73/52/71/1377735271.db2.gz FGAVBDYXQSLNAT-UHFFFAOYSA-N 2 2 337.471 3.267 20 0 EGADLP CC(C)[N@H+](Cc1ccnc(Br)c1)C1CC[NH+](C)CC1 ZINC001138736575 1377775637 /nfs/dbraw/zinc/77/56/37/1377775637.db2.gz VMPQXXBORYDTFE-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[N@@H+](Cc1ccnc(Br)c1)C1CC[NH+](C)CC1 ZINC001138736575 1377775638 /nfs/dbraw/zinc/77/56/38/1377775638.db2.gz VMPQXXBORYDTFE-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CCCn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041576 1377821275 /nfs/dbraw/zinc/82/12/75/1377821275.db2.gz LKLNNWWDUSNEDD-LEWJYISDSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041576 1377821276 /nfs/dbraw/zinc/82/12/76/1377821276.db2.gz LKLNNWWDUSNEDD-LEWJYISDSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041576 1377821277 /nfs/dbraw/zinc/82/12/77/1377821277.db2.gz LKLNNWWDUSNEDD-LEWJYISDSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001139041576 1377821278 /nfs/dbraw/zinc/82/12/78/1377821278.db2.gz LKLNNWWDUSNEDD-LEWJYISDSA-N 2 2 338.499 3.247 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052685 1377822205 /nfs/dbraw/zinc/82/22/05/1377822205.db2.gz KLHFNYVTWMYXGX-MRXNPFEDSA-N 2 2 338.442 3.386 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052685 1377822208 /nfs/dbraw/zinc/82/22/08/1377822208.db2.gz KLHFNYVTWMYXGX-MRXNPFEDSA-N 2 2 338.442 3.386 20 0 EGADLP c1c2ccccc2oc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139061224 1377822951 /nfs/dbraw/zinc/82/29/51/1377822951.db2.gz NGXLWQLPMNSCJS-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2ccccc2oc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001139061224 1377822954 /nfs/dbraw/zinc/82/29/54/1377822954.db2.gz NGXLWQLPMNSCJS-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001139061224 1377822956 /nfs/dbraw/zinc/82/29/56/1377822956.db2.gz NGXLWQLPMNSCJS-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2ccccc2oc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001139061224 1377822958 /nfs/dbraw/zinc/82/29/58/1377822958.db2.gz NGXLWQLPMNSCJS-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139168837 1377842861 /nfs/dbraw/zinc/84/28/61/1377842861.db2.gz ZLHUQIJZCMBOPL-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3cccnc3c2)CC1 ZINC001139168837 1377842864 /nfs/dbraw/zinc/84/28/64/1377842864.db2.gz ZLHUQIJZCMBOPL-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@H]3C2)c1 ZINC001139171567 1377843453 /nfs/dbraw/zinc/84/34/53/1377843453.db2.gz WQOWLCPSVBVIAL-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@]1(O)C(F)(F)F ZINC001139356803 1377873153 /nfs/dbraw/zinc/87/31/53/1377873153.db2.gz TWWPZSADVSHKKB-XJKSGUPXSA-N 2 2 339.361 3.008 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@]1(O)C(F)(F)F ZINC001139356803 1377873156 /nfs/dbraw/zinc/87/31/56/1377873156.db2.gz TWWPZSADVSHKKB-XJKSGUPXSA-N 2 2 339.361 3.008 20 0 EGADLP c1cn(-c2ccc(C[N@H+](Cc3cccnc3)C3CCOCC3)cc2)c[nH+]1 ZINC001139360043 1377873718 /nfs/dbraw/zinc/87/37/18/1377873718.db2.gz GCKQETANPNHKGJ-UHFFFAOYSA-N 2 2 348.450 3.449 20 0 EGADLP c1cn(-c2ccc(C[N@@H+](Cc3cccnc3)C3CCOCC3)cc2)c[nH+]1 ZINC001139360043 1377873723 /nfs/dbraw/zinc/87/37/23/1377873723.db2.gz GCKQETANPNHKGJ-UHFFFAOYSA-N 2 2 348.450 3.449 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473894 1377890514 /nfs/dbraw/zinc/89/05/14/1377890514.db2.gz WTJOHXQNFYHYJF-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473894 1377890515 /nfs/dbraw/zinc/89/05/15/1377890515.db2.gz WTJOHXQNFYHYJF-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473894 1377890516 /nfs/dbraw/zinc/89/05/16/1377890516.db2.gz WTJOHXQNFYHYJF-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473894 1377890517 /nfs/dbraw/zinc/89/05/17/1377890517.db2.gz WTJOHXQNFYHYJF-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cn3c(cccc3F)n2)C2CCCC2)CC1 ZINC001139572286 1377910782 /nfs/dbraw/zinc/91/07/82/1377910782.db2.gz MVWFMVNLINCBNH-UHFFFAOYSA-N 2 2 330.451 3.312 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cn3c(cccc3F)n2)C2CCCC2)CC1 ZINC001139572286 1377910783 /nfs/dbraw/zinc/91/07/83/1377910783.db2.gz MVWFMVNLINCBNH-UHFFFAOYSA-N 2 2 330.451 3.312 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnc5cccnc5c4)C[C@H]3C2)cc1 ZINC001139742163 1377944642 /nfs/dbraw/zinc/94/46/42/1377944642.db2.gz TUUIAMBZBWSMPX-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763437 1377947987 /nfs/dbraw/zinc/94/79/87/1377947987.db2.gz MXBWCLTZEISPKE-PZJWPPBQSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763437 1377947989 /nfs/dbraw/zinc/94/79/89/1377947989.db2.gz MXBWCLTZEISPKE-PZJWPPBQSA-N 2 2 344.499 3.162 20 0 EGADLP COc1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)s2)cc1 ZINC001139794477 1377951287 /nfs/dbraw/zinc/95/12/87/1377951287.db2.gz FQBIAHYFMQYLFQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)s2)cc1 ZINC001139794477 1377951288 /nfs/dbraw/zinc/95/12/88/1377951288.db2.gz FQBIAHYFMQYLFQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2ncc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)s2)cc1 ZINC001139794477 1377951290 /nfs/dbraw/zinc/95/12/90/1377951290.db2.gz FQBIAHYFMQYLFQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2ncc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)s2)cc1 ZINC001139794477 1377951292 /nfs/dbraw/zinc/95/12/92/1377951292.db2.gz FQBIAHYFMQYLFQ-LJQANCHMSA-N 2 2 343.496 3.346 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139894974 1377974350 /nfs/dbraw/zinc/97/43/50/1377974350.db2.gz NCHRSKLVMUMRPL-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139894974 1377974352 /nfs/dbraw/zinc/97/43/52/1377974352.db2.gz NCHRSKLVMUMRPL-FQEVSTJZSA-N 2 2 339.483 3.310 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001140026711 1377991841 /nfs/dbraw/zinc/99/18/41/1377991841.db2.gz PHZJLYBWLQADFN-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001140026711 1377991843 /nfs/dbraw/zinc/99/18/43/1377991843.db2.gz PHZJLYBWLQADFN-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001140027596 1377993002 /nfs/dbraw/zinc/99/30/02/1377993002.db2.gz RLQRUNWNDSMJRQ-GOSISDBHSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001140027596 1377993005 /nfs/dbraw/zinc/99/30/05/1377993005.db2.gz RLQRUNWNDSMJRQ-GOSISDBHSA-N 2 2 349.438 3.014 20 0 EGADLP OCc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001140684561 1378113401 /nfs/dbraw/zinc/11/34/01/1378113401.db2.gz OJNDLGDFSCZXEF-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)o1 ZINC001140684561 1378113404 /nfs/dbraw/zinc/11/34/04/1378113404.db2.gz OJNDLGDFSCZXEF-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001140684561 1378113405 /nfs/dbraw/zinc/11/34/05/1378113405.db2.gz OJNDLGDFSCZXEF-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP OCc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001140684561 1378113407 /nfs/dbraw/zinc/11/34/07/1378113407.db2.gz OJNDLGDFSCZXEF-NRFANRHFSA-N 2 2 340.467 3.260 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140779579 1378134068 /nfs/dbraw/zinc/13/40/68/1378134068.db2.gz RCRKZLPRAQVVTL-RTBURBONSA-N 2 2 325.431 3.093 20 0 EGADLP O=C1Nc2ncccc2C2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)O1 ZINC001140805605 1378143188 /nfs/dbraw/zinc/14/31/88/1378143188.db2.gz BTEYHVONWFHPCV-UHFFFAOYSA-N 2 2 349.394 3.011 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807422 1378147125 /nfs/dbraw/zinc/14/71/25/1378147125.db2.gz YUSKTGHHGNMHGB-HIFRSBDPSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807422 1378147127 /nfs/dbraw/zinc/14/71/27/1378147127.db2.gz YUSKTGHHGNMHGB-HIFRSBDPSA-N 2 2 344.459 3.441 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243554 1378281066 /nfs/dbraw/zinc/28/10/66/1378281066.db2.gz MNQJAEUBEBBCLZ-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243554 1378281070 /nfs/dbraw/zinc/28/10/70/1378281070.db2.gz MNQJAEUBEBBCLZ-FQEVSTJZSA-N 2 2 346.434 3.475 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH+]1 ZINC001143033867 1378530586 /nfs/dbraw/zinc/53/05/86/1378530586.db2.gz LOFNSRYGVSLIPS-LEWJYISDSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2cc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH+]1 ZINC001143033867 1378530587 /nfs/dbraw/zinc/53/05/87/1378530587.db2.gz LOFNSRYGVSLIPS-LEWJYISDSA-N 2 2 346.478 3.288 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209987 1378561165 /nfs/dbraw/zinc/56/11/65/1378561165.db2.gz WEVNBZOUIQWELI-NRFANRHFSA-N 2 2 336.483 3.070 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209987 1378561174 /nfs/dbraw/zinc/56/11/74/1378561174.db2.gz WEVNBZOUIQWELI-NRFANRHFSA-N 2 2 336.483 3.070 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209987 1378561176 /nfs/dbraw/zinc/56/11/76/1378561176.db2.gz WEVNBZOUIQWELI-NRFANRHFSA-N 2 2 336.483 3.070 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(N)n1 ZINC001143209987 1378561183 /nfs/dbraw/zinc/56/11/83/1378561183.db2.gz WEVNBZOUIQWELI-NRFANRHFSA-N 2 2 336.483 3.070 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263112 1378572119 /nfs/dbraw/zinc/57/21/19/1378572119.db2.gz VFWIMHSYHGWWFN-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263112 1378572120 /nfs/dbraw/zinc/57/21/20/1378572120.db2.gz VFWIMHSYHGWWFN-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263112 1378572122 /nfs/dbraw/zinc/57/21/22/1378572122.db2.gz VFWIMHSYHGWWFN-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(OC(F)(F)F)c3)C2)C1 ZINC001143263112 1378572123 /nfs/dbraw/zinc/57/21/23/1378572123.db2.gz VFWIMHSYHGWWFN-OAHLLOKOSA-N 2 2 332.341 3.252 20 0 EGADLP Cn1nnc2cc(C[NH+]3CCC([N@H+](C)Cc4ccccc4)CC3)ccc21 ZINC001144637317 1378753430 /nfs/dbraw/zinc/75/34/30/1378753430.db2.gz WZPRSMFKGNCQOR-UHFFFAOYSA-N 2 2 349.482 3.065 20 0 EGADLP Cn1nnc2cc(C[NH+]3CCC([N@@H+](C)Cc4ccccc4)CC3)ccc21 ZINC001144637317 1378753435 /nfs/dbraw/zinc/75/34/35/1378753435.db2.gz WZPRSMFKGNCQOR-UHFFFAOYSA-N 2 2 349.482 3.065 20 0 EGADLP O=C(NCC[NH2+]CCC1=CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001146473805 1378846312 /nfs/dbraw/zinc/84/63/12/1378846312.db2.gz ICWXVOKVZNJDFR-UHFFFAOYSA-N 2 2 338.455 3.082 20 0 EGADLP Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001327667991 1388576033 /nfs/dbraw/zinc/57/60/33/1388576033.db2.gz IXXUYLLTQANPMU-OAHLLOKOSA-N 2 2 326.843 3.212 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001146772121 1378916268 /nfs/dbraw/zinc/91/62/68/1378916268.db2.gz QWJMYRFEUHLINR-IAGOWNOFSA-N 2 2 334.508 3.117 20 0 EGADLP C[C@@H](CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001148358126 1379156607 /nfs/dbraw/zinc/15/66/07/1379156607.db2.gz UYAYKVSRBVQNGT-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2)n1cc[nH+]c1 ZINC001148358126 1379156609 /nfs/dbraw/zinc/15/66/09/1379156609.db2.gz UYAYKVSRBVQNGT-KRWDZBQOSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)Cc1ccccc1 ZINC001149138408 1379331243 /nfs/dbraw/zinc/33/12/43/1379331243.db2.gz JAWGHEOFKLEQEZ-OAHLLOKOSA-N 2 2 336.439 3.203 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)Cc1ccccc1 ZINC001149138408 1379331248 /nfs/dbraw/zinc/33/12/48/1379331248.db2.gz JAWGHEOFKLEQEZ-OAHLLOKOSA-N 2 2 336.439 3.203 20 0 EGADLP CC[N@H+](CCCC(C)C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015467 1380179415 /nfs/dbraw/zinc/17/94/15/1380179415.db2.gz JRZZZALXLWLEIJ-OAHLLOKOSA-N 2 2 330.476 3.439 20 0 EGADLP CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015467 1380179418 /nfs/dbraw/zinc/17/94/18/1380179418.db2.gz JRZZZALXLWLEIJ-OAHLLOKOSA-N 2 2 330.476 3.439 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083446 1380201627 /nfs/dbraw/zinc/20/16/27/1380201627.db2.gz WNRHTDCXPITVKV-NLMGXMIUSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083446 1380201630 /nfs/dbraw/zinc/20/16/30/1380201630.db2.gz WNRHTDCXPITVKV-NLMGXMIUSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083446 1380201635 /nfs/dbraw/zinc/20/16/35/1380201635.db2.gz WNRHTDCXPITVKV-NLMGXMIUSA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083446 1380201641 /nfs/dbraw/zinc/20/16/41/1380201641.db2.gz WNRHTDCXPITVKV-NLMGXMIUSA-N 2 2 346.519 3.006 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083296 1380201808 /nfs/dbraw/zinc/20/18/08/1380201808.db2.gz PUOGGOXVGRJSES-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083296 1380201815 /nfs/dbraw/zinc/20/18/15/1380201815.db2.gz PUOGGOXVGRJSES-JKCVZHOFSA-N 2 2 346.519 3.019 20 0 EGADLP Fc1cc2nc(Cl)c(-n3c[nH+]cc3C3CC[NH2+]CC3)nc2cc1F ZINC001155058386 1380400890 /nfs/dbraw/zinc/40/08/90/1380400890.db2.gz ZXMRHLJRFSHSFD-UHFFFAOYSA-N 2 2 349.772 3.214 20 0 EGADLP c1[nH+]cn(-c2ncccc2OCc2ccccc2)c1C1CC[NH2+]CC1 ZINC001155063861 1380401532 /nfs/dbraw/zinc/40/15/32/1380401532.db2.gz HCSYTXVNSFWONG-UHFFFAOYSA-N 2 2 334.423 3.313 20 0 EGADLP C[C@H]1CCCN(c2cc(NCc3cccc(C[NH+](C)C)c3)[nH+]cn2)C1 ZINC001156051820 1380518504 /nfs/dbraw/zinc/51/85/04/1380518504.db2.gz HZIKSMBALXYDRT-INIZCTEOSA-N 2 2 339.487 3.387 20 0 EGADLP C[C@H]1CCCN(c2cc(NCc3cccc(C[NH+](C)C)c3)nc[nH+]2)C1 ZINC001156051820 1380518508 /nfs/dbraw/zinc/51/85/08/1380518508.db2.gz HZIKSMBALXYDRT-INIZCTEOSA-N 2 2 339.487 3.387 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]C/C=C\c3ccccc3)ccn12 ZINC001158061729 1381117187 /nfs/dbraw/zinc/11/71/87/1381117187.db2.gz DZGBPDKFNXCORI-UITAMQMPSA-N 2 2 348.450 3.066 20 0 EGADLP Cc1cc(N2CCN(c3cc[nH+]cc3C)CC2)nc(C(C)(C)C)[nH+]1 ZINC001158107835 1381130000 /nfs/dbraw/zinc/13/00/00/1381130000.db2.gz JMWDEIGBAUXCHF-UHFFFAOYSA-N 2 2 325.460 3.113 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571693 1381303743 /nfs/dbraw/zinc/30/37/43/1381303743.db2.gz WQMAFHOKYQBGHX-IIMPKJCBSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571693 1381303748 /nfs/dbraw/zinc/30/37/48/1381303748.db2.gz WQMAFHOKYQBGHX-IIMPKJCBSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C/CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571693 1381303750 /nfs/dbraw/zinc/30/37/50/1381303750.db2.gz WQMAFHOKYQBGHX-IIMPKJCBSA-N 2 2 346.519 3.258 20 0 EGADLP CC/C=C/CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571693 1381303757 /nfs/dbraw/zinc/30/37/57/1381303757.db2.gz WQMAFHOKYQBGHX-IIMPKJCBSA-N 2 2 346.519 3.258 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC(C)(C)C ZINC001158744365 1381378881 /nfs/dbraw/zinc/37/88/81/1381378881.db2.gz JXBCKXLHSULBMW-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001158744365 1381378895 /nfs/dbraw/zinc/37/88/95/1381378895.db2.gz JXBCKXLHSULBMW-QGZVFWFLSA-N 2 2 348.535 3.102 20 0 EGADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3cc(Cl)ccc32)O1 ZINC001159240444 1381740396 /nfs/dbraw/zinc/74/03/96/1381740396.db2.gz QGKQBFIPPOPSRH-BFYDXBDKSA-N 2 2 335.835 3.025 20 0 EGADLP COc1c(C)cc(C)cc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159262514 1381746715 /nfs/dbraw/zinc/74/67/15/1381746715.db2.gz YDCWVMFJEUOKNI-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP CCc1cc(OC)ccc1Nc1ccc(N2CCC([NH3+])CC2)[nH+]c1 ZINC001159323872 1381762067 /nfs/dbraw/zinc/76/20/67/1381762067.db2.gz QPNKULKNPRMHFK-UHFFFAOYSA-N 2 2 326.444 3.324 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001159537030 1381820715 /nfs/dbraw/zinc/82/07/15/1381820715.db2.gz GINTUWASKMAZET-QGZVFWFLSA-N 2 2 348.878 3.243 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001159537030 1381820718 /nfs/dbraw/zinc/82/07/18/1381820718.db2.gz GINTUWASKMAZET-QGZVFWFLSA-N 2 2 348.878 3.243 20 0 EGADLP Cc1ccc2c(Nc3cnc(N4CC[NH2+]CC4)c(C)c3)cccc2[nH+]1 ZINC001159711723 1381876724 /nfs/dbraw/zinc/87/67/24/1381876724.db2.gz DDQGPPDJZZGOFL-UHFFFAOYSA-N 2 2 333.439 3.400 20 0 EGADLP CN(C)c1ccc(Nc2c(F)cccc2OC2CC[NH2+]CC2)c[nH+]1 ZINC001160149356 1382016520 /nfs/dbraw/zinc/01/65/20/1382016520.db2.gz KECDYMAZYSMNMH-UHFFFAOYSA-N 2 2 330.407 3.161 20 0 EGADLP Cc1ccc(Nc2cc(C)c[nH+]c2C)c(C(=O)NC2CC[NH2+]CC2)c1 ZINC001160368272 1382085143 /nfs/dbraw/zinc/08/51/43/1382085143.db2.gz QCMWTFCHOAENDR-UHFFFAOYSA-N 2 2 338.455 3.232 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1=CC[N@@H+](C(C)C)CC1)n1cc[nH+]c1 ZINC001160423628 1382099734 /nfs/dbraw/zinc/09/97/34/1382099734.db2.gz UCMGKXLNYZHHMF-GOSISDBHSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1=CC[N@H+](C(C)C)CC1)n1cc[nH+]c1 ZINC001160423628 1382099739 /nfs/dbraw/zinc/09/97/39/1382099739.db2.gz UCMGKXLNYZHHMF-GOSISDBHSA-N 2 2 332.492 3.017 20 0 EGADLP Cc1cc(C[NH2+]CCCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cs1 ZINC001160528213 1382132358 /nfs/dbraw/zinc/13/23/58/1382132358.db2.gz LIRPESANFKGTLD-QGZVFWFLSA-N 2 2 348.516 3.136 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001160984326 1382261152 /nfs/dbraw/zinc/26/11/52/1382261152.db2.gz KMLUBKGYNPKCDV-UHFFFAOYSA-N 2 2 336.439 3.089 20 0 EGADLP Cc1cc(NC2CC[NH+](CC3CCOCC3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001161216743 1382345517 /nfs/dbraw/zinc/34/55/17/1382345517.db2.gz WWJVRONULVYHPP-UHFFFAOYSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)cc(C(C)C)[nH+]1 ZINC001161234024 1382350998 /nfs/dbraw/zinc/35/09/98/1382350998.db2.gz DTRCEIOHTWLRBX-UHFFFAOYSA-N 2 2 332.492 3.211 20 0 EGADLP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356200 1382380596 /nfs/dbraw/zinc/38/05/96/1382380596.db2.gz FPMDFPWJYZREDP-IRXDYDNUSA-N 2 2 332.492 3.019 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001161356200 1382380598 /nfs/dbraw/zinc/38/05/98/1382380598.db2.gz FPMDFPWJYZREDP-IRXDYDNUSA-N 2 2 332.492 3.019 20 0 EGADLP Clc1ccc2c(cc[nH+]c2NC2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC001161464924 1382416196 /nfs/dbraw/zinc/41/61/96/1382416196.db2.gz UDNNWJCGKITVEV-INIZCTEOSA-N 2 2 330.863 3.126 20 0 EGADLP Cc1ccc(CC(C)(C)CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001161620433 1382461561 /nfs/dbraw/zinc/46/15/61/1382461561.db2.gz ULXKPFKTVKYEJE-UHFFFAOYSA-N 2 2 338.499 3.480 20 0 EGADLP COc1ccc2c(C)cc(Nc3ccc([C@@H](C[NH3+])CO)cc3)[nH+]c2c1 ZINC001163053466 1382955555 /nfs/dbraw/zinc/95/55/55/1382955555.db2.gz ROQOHXOIJNHFNK-HNNXBMFYSA-N 2 2 337.423 3.330 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@H](C)C1 ZINC001163372799 1383035928 /nfs/dbraw/zinc/03/59/28/1383035928.db2.gz WPIOZEDUHHJLJJ-BRWVUGGUSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[C@H](C)C1 ZINC001163372799 1383035931 /nfs/dbraw/zinc/03/59/31/1383035931.db2.gz WPIOZEDUHHJLJJ-BRWVUGGUSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@H](C)C1 ZINC001163372799 1383035935 /nfs/dbraw/zinc/03/59/35/1383035935.db2.gz WPIOZEDUHHJLJJ-BRWVUGGUSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](Nc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)[C@H](C)C1 ZINC001163372799 1383035938 /nfs/dbraw/zinc/03/59/38/1383035938.db2.gz WPIOZEDUHHJLJJ-BRWVUGGUSA-N 2 2 331.508 3.244 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(NCC3([NH+](C)C)CC[NH+](C)CC3)cc21 ZINC001164216463 1383167057 /nfs/dbraw/zinc/16/70/57/1383167057.db2.gz CLOVFZAHKWMYGC-UHFFFAOYSA-N 3 2 342.531 3.126 20 0 EGADLP [NH3+][C@@H]1CN(c2[nH+]c(N3CCCC3)cc3ccccc32)CCC1(F)F ZINC001164329152 1383178208 /nfs/dbraw/zinc/17/82/08/1383178208.db2.gz ZTSFHOBNDXVAEA-OAHLLOKOSA-N 2 2 332.398 3.008 20 0 EGADLP Cc1[nH+]c2c(n1-c1nc(Cl)cc3cc(C)ccc31)CC[NH2+]CC2 ZINC001165354948 1383281196 /nfs/dbraw/zinc/28/11/96/1383281196.db2.gz OMWSWCKVTGPTFB-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP Nc1ccc[nH+]c1N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001166495043 1383428894 /nfs/dbraw/zinc/42/88/94/1383428894.db2.gz GJGFQZSSICKYTJ-UHFFFAOYSA-N 2 2 331.379 3.175 20 0 EGADLP CC[C@@H]([NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1 ZINC001167427953 1383631127 /nfs/dbraw/zinc/63/11/27/1383631127.db2.gz DMSFMCKIRPZKDP-SJLPKXTDSA-N 2 2 328.460 3.081 20 0 EGADLP C[C@@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575759 1383675351 /nfs/dbraw/zinc/67/53/51/1383675351.db2.gz HRIBUAKISZNCFW-STZQEDGTSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575759 1383675355 /nfs/dbraw/zinc/67/53/55/1383675355.db2.gz HRIBUAKISZNCFW-STZQEDGTSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575759 1383675358 /nfs/dbraw/zinc/67/53/58/1383675358.db2.gz HRIBUAKISZNCFW-STZQEDGTSA-N 2 2 336.479 3.316 20 0 EGADLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001167575759 1383675359 /nfs/dbraw/zinc/67/53/59/1383675359.db2.gz HRIBUAKISZNCFW-STZQEDGTSA-N 2 2 336.479 3.316 20 0 EGADLP CCCC[NH2+]CC1(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001167600985 1383685946 /nfs/dbraw/zinc/68/59/46/1383685946.db2.gz AUTLGSXLYUMHDC-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP CC(C)(F)c1ncncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973767 1383783212 /nfs/dbraw/zinc/78/32/12/1383783212.db2.gz NAMYYNAUYAQDCY-ALOPSCKCSA-N 2 2 332.467 3.176 20 0 EGADLP CC(C)(F)c1ncncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973767 1383783215 /nfs/dbraw/zinc/78/32/15/1383783215.db2.gz NAMYYNAUYAQDCY-ALOPSCKCSA-N 2 2 332.467 3.176 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)Cc3ccc(Cl)cc3)CC2)c1 ZINC001168192094 1383839852 /nfs/dbraw/zinc/83/98/52/1383839852.db2.gz MVYVDJVSPUQMDS-OAHLLOKOSA-N 2 2 345.874 3.497 20 0 EGADLP CCOC(=O)C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168361005 1383883472 /nfs/dbraw/zinc/88/34/72/1383883472.db2.gz YTBNMLNJVKUGHU-LJQANCHMSA-N 2 2 330.472 3.145 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001168454849 1383911245 /nfs/dbraw/zinc/91/12/45/1383911245.db2.gz BFNGZRJDBOMYCD-QGZVFWFLSA-N 2 2 342.458 3.379 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001168498237 1383924171 /nfs/dbraw/zinc/92/41/71/1383924171.db2.gz RENXEUCKPKDYJQ-MRXNPFEDSA-N 2 2 334.479 3.332 20 0 EGADLP C[C@H](Cc1cccc(F)c1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001168498237 1383924174 /nfs/dbraw/zinc/92/41/74/1383924174.db2.gz RENXEUCKPKDYJQ-MRXNPFEDSA-N 2 2 334.479 3.332 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609307 1383947986 /nfs/dbraw/zinc/94/79/86/1383947986.db2.gz GHXJGNAUDBHQDB-DYXWJJEUSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609307 1383947991 /nfs/dbraw/zinc/94/79/91/1383947991.db2.gz GHXJGNAUDBHQDB-DYXWJJEUSA-N 2 2 344.499 3.379 20 0 EGADLP CC(=O)c1nc(CC[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)[nH]c1C ZINC001308003428 1384072750 /nfs/dbraw/zinc/07/27/50/1384072750.db2.gz UXUAVRFHZQWKKA-GOSISDBHSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1nc(CC[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)[nH]c1C ZINC001308003428 1384072757 /nfs/dbraw/zinc/07/27/57/1384072757.db2.gz UXUAVRFHZQWKKA-GOSISDBHSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1[nH]c(CC[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)nc1C ZINC001308003428 1384072762 /nfs/dbraw/zinc/07/27/62/1384072762.db2.gz UXUAVRFHZQWKKA-GOSISDBHSA-N 2 2 346.519 3.050 20 0 EGADLP CC(=O)c1[nH]c(CC[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)nc1C ZINC001308003428 1384072768 /nfs/dbraw/zinc/07/27/68/1384072768.db2.gz UXUAVRFHZQWKKA-GOSISDBHSA-N 2 2 346.519 3.050 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101289 1384107111 /nfs/dbraw/zinc/10/71/11/1384107111.db2.gz QQKCJBYLFMADDJ-LVQVYYBASA-N 2 2 329.271 3.242 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101289 1384107113 /nfs/dbraw/zinc/10/71/13/1384107113.db2.gz QQKCJBYLFMADDJ-LVQVYYBASA-N 2 2 329.271 3.242 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1cccc(Cl)c1)C2 ZINC001169109360 1384108318 /nfs/dbraw/zinc/10/83/18/1384108318.db2.gz BDQKVGCUXKDDRR-NNZMDNLPSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncn1Cc1cccc(Cl)c1)C2 ZINC001169109360 1384108321 /nfs/dbraw/zinc/10/83/21/1384108321.db2.gz BDQKVGCUXKDDRR-NNZMDNLPSA-N 2 2 344.890 3.300 20 0 EGADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC001308206321 1384109219 /nfs/dbraw/zinc/10/92/19/1384109219.db2.gz UMJNRYOZRLIFOE-UHFFFAOYSA-N 2 2 349.482 3.399 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)C2 ZINC001169126777 1384110828 /nfs/dbraw/zinc/11/08/28/1384110828.db2.gz XOLLGHUZSLQQSZ-REPLKXPHSA-N 2 2 330.447 3.346 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)C2 ZINC001169126777 1384110829 /nfs/dbraw/zinc/11/08/29/1384110829.db2.gz XOLLGHUZSLQQSZ-REPLKXPHSA-N 2 2 330.447 3.346 20 0 EGADLP CC1(c2cc[nH+]c(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)c2)OCCO1 ZINC001169140785 1384112916 /nfs/dbraw/zinc/11/29/16/1384112916.db2.gz HULRBASPGQFHMD-CRAIPNDOSA-N 2 2 333.476 3.257 20 0 EGADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H](C)C(C)C ZINC001308591991 1384135334 /nfs/dbraw/zinc/13/53/34/1384135334.db2.gz NWGCRQYRVXCKHT-SFHVURJKSA-N 2 2 334.504 3.264 20 0 EGADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H](C)C(C)C ZINC001308591991 1384135336 /nfs/dbraw/zinc/13/53/36/1384135336.db2.gz NWGCRQYRVXCKHT-SFHVURJKSA-N 2 2 334.504 3.264 20 0 EGADLP C[C@@H](CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(O)cc1 ZINC001169545579 1384158530 /nfs/dbraw/zinc/15/85/30/1384158530.db2.gz HPXSWBAZKHGCGO-MAUKXSAKSA-N 2 2 325.456 3.141 20 0 EGADLP C[C@@H](CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1ccc(O)cc1 ZINC001169545579 1384158531 /nfs/dbraw/zinc/15/85/31/1384158531.db2.gz HPXSWBAZKHGCGO-MAUKXSAKSA-N 2 2 325.456 3.141 20 0 EGADLP CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001169782228 1384185870 /nfs/dbraw/zinc/18/58/70/1384185870.db2.gz XMFFYEFGEARBKR-NRFANRHFSA-N 2 2 346.515 3.300 20 0 EGADLP CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001169782228 1384185872 /nfs/dbraw/zinc/18/58/72/1384185872.db2.gz XMFFYEFGEARBKR-NRFANRHFSA-N 2 2 346.515 3.300 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001170418140 1384313537 /nfs/dbraw/zinc/31/35/37/1384313537.db2.gz PAWMVFDGAPLWIF-HNNXBMFYSA-N 2 2 347.484 3.306 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482075 1384327180 /nfs/dbraw/zinc/32/71/80/1384327180.db2.gz BBWQIVIHCGQYCX-IRXDYDNUSA-N 2 2 336.524 3.289 20 0 EGADLP Cc1[nH+]cn([C@H]2CCc3cc(F)cc(F)c3C2)c1CSCC[NH3+] ZINC001170674496 1384362123 /nfs/dbraw/zinc/36/21/23/1384362123.db2.gz PWGPTQCNYNOJFX-AWEZNQCLSA-N 2 2 337.439 3.392 20 0 EGADLP CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170787047 1384385087 /nfs/dbraw/zinc/38/50/87/1384385087.db2.gz VURLJBFOFGUGFI-RHSMWYFYSA-N 2 2 348.466 3.269 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852885 1384399067 /nfs/dbraw/zinc/39/90/67/1384399067.db2.gz ZDVDVADXDOBIFL-IRXDYDNUSA-N 2 2 337.305 3.379 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852885 1384399069 /nfs/dbraw/zinc/39/90/69/1384399069.db2.gz ZDVDVADXDOBIFL-IRXDYDNUSA-N 2 2 337.305 3.379 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170894076 1384407192 /nfs/dbraw/zinc/40/71/92/1384407192.db2.gz HOMVAWIFHXVSON-QGZVFWFLSA-N 2 2 348.535 3.217 20 0 EGADLP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170974628 1384421500 /nfs/dbraw/zinc/42/15/00/1384421500.db2.gz WPIKWHMUQMCEME-KRWDZBQOSA-N 2 2 325.431 3.028 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528351 1384552576 /nfs/dbraw/zinc/55/25/76/1384552576.db2.gz SDVNHDTYTFTSJJ-CABCVRRESA-N 2 2 330.476 3.487 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171596114 1384574277 /nfs/dbraw/zinc/57/42/77/1384574277.db2.gz KSUAYBQITRVMOB-MSOLQXFVSA-N 2 2 348.535 3.290 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001171596124 1384574335 /nfs/dbraw/zinc/57/43/35/1384574335.db2.gz KSUAYBQITRVMOB-ZWKOTPCHSA-N 2 2 348.535 3.290 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604509 1384576831 /nfs/dbraw/zinc/57/68/31/1384576831.db2.gz IFTPLHSWDZPHNA-DOTOQJQBSA-N 2 2 346.519 3.054 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604509 1384576835 /nfs/dbraw/zinc/57/68/35/1384576835.db2.gz IFTPLHSWDZPHNA-DOTOQJQBSA-N 2 2 346.519 3.054 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171607146 1384578944 /nfs/dbraw/zinc/57/89/44/1384578944.db2.gz ZMXZTFSBTSQYEZ-NVXWUHKLSA-N 2 2 348.535 3.278 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171607146 1384578946 /nfs/dbraw/zinc/57/89/46/1384578946.db2.gz ZMXZTFSBTSQYEZ-NVXWUHKLSA-N 2 2 348.535 3.278 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171780288 1384633497 /nfs/dbraw/zinc/63/34/97/1384633497.db2.gz ZVIZWIMYSQWIFR-INIZCTEOSA-N 2 2 342.487 3.403 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([N@@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001171920839 1384682005 /nfs/dbraw/zinc/68/20/05/1384682005.db2.gz AGTBBNFCCAQAEX-XUJQIHCRSA-N 2 2 344.499 3.273 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([N@H+]2Cc3ccccc3C[C@@H]2C[NH3+])CC1 ZINC001171920839 1384682007 /nfs/dbraw/zinc/68/20/07/1384682007.db2.gz AGTBBNFCCAQAEX-XUJQIHCRSA-N 2 2 344.499 3.273 20 0 EGADLP CCOC(=O)C1(C)CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001171950952 1384694344 /nfs/dbraw/zinc/69/43/44/1384694344.db2.gz KDTWEWGCYZNIHK-UHFFFAOYSA-N 2 2 346.471 3.437 20 0 EGADLP OC[C@@H]1C[C@H](F)C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067047 1384716030 /nfs/dbraw/zinc/71/60/30/1384716030.db2.gz ABVRNXXIZRABME-TXVWBRJLSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@H](F)C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067047 1384716035 /nfs/dbraw/zinc/71/60/35/1384716035.db2.gz ABVRNXXIZRABME-TXVWBRJLSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@H](F)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067047 1384716044 /nfs/dbraw/zinc/71/60/44/1384716044.db2.gz ABVRNXXIZRABME-TXVWBRJLSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@H](F)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067047 1384716048 /nfs/dbraw/zinc/71/60/48/1384716048.db2.gz ABVRNXXIZRABME-TXVWBRJLSA-N 2 2 346.490 3.224 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067571 1384716784 /nfs/dbraw/zinc/71/67/84/1384716784.db2.gz DCOBGZSLIOWMCF-GCFHALSMSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067571 1384716785 /nfs/dbraw/zinc/71/67/85/1384716785.db2.gz DCOBGZSLIOWMCF-GCFHALSMSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067571 1384716786 /nfs/dbraw/zinc/71/67/86/1384716786.db2.gz DCOBGZSLIOWMCF-GCFHALSMSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@H]4CC[C@@H](C2)O4)C3)cc1 ZINC001172067571 1384716787 /nfs/dbraw/zinc/71/67/87/1384716787.db2.gz DCOBGZSLIOWMCF-GCFHALSMSA-N 2 2 326.484 3.435 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073706 1384720231 /nfs/dbraw/zinc/72/02/31/1384720231.db2.gz BWUZSSKFCQHNRF-ACDBMABISA-N 2 2 342.483 3.021 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073706 1384720232 /nfs/dbraw/zinc/72/02/32/1384720232.db2.gz BWUZSSKFCQHNRF-ACDBMABISA-N 2 2 342.483 3.021 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073706 1384720237 /nfs/dbraw/zinc/72/02/37/1384720237.db2.gz BWUZSSKFCQHNRF-ACDBMABISA-N 2 2 342.483 3.021 20 0 EGADLP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC4(C2)OCCO4)C3)cc1 ZINC001172073706 1384720240 /nfs/dbraw/zinc/72/02/40/1384720240.db2.gz BWUZSSKFCQHNRF-ACDBMABISA-N 2 2 342.483 3.021 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)Cc1cccnc1)C2 ZINC001172120380 1384732244 /nfs/dbraw/zinc/73/22/44/1384732244.db2.gz FCOSEEIBOCVJTL-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](Cc1cccnc1)Cc1cccnc1)C2 ZINC001172120380 1384732247 /nfs/dbraw/zinc/73/22/47/1384732247.db2.gz FCOSEEIBOCVJTL-AERCQKQUSA-N 2 2 336.483 3.494 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2F)CC1 ZINC001172247753 1384755890 /nfs/dbraw/zinc/75/58/90/1384755890.db2.gz VCNOLASCOINWFO-UHFFFAOYSA-N 2 2 332.822 3.209 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172327198 1384770479 /nfs/dbraw/zinc/77/04/79/1384770479.db2.gz AUCLLBKVPXHKIY-CADBVGFASA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172327198 1384770481 /nfs/dbraw/zinc/77/04/81/1384770481.db2.gz AUCLLBKVPXHKIY-CADBVGFASA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172327198 1384770490 /nfs/dbraw/zinc/77/04/90/1384770490.db2.gz AUCLLBKVPXHKIY-CADBVGFASA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001172327198 1384770492 /nfs/dbraw/zinc/77/04/92/1384770492.db2.gz AUCLLBKVPXHKIY-CADBVGFASA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001172451813 1384795333 /nfs/dbraw/zinc/79/53/33/1384795333.db2.gz NPGZCBWNJDRCJW-ROUUACIJSA-N 2 2 347.503 3.003 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)C1 ZINC001172599172 1384816510 /nfs/dbraw/zinc/81/65/10/1384816510.db2.gz ADXAPEVCIDNRPP-UFYCRDLUSA-N 2 2 344.499 3.015 20 0 EGADLP CC1CC[NH+](CC[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172809877 1384857774 /nfs/dbraw/zinc/85/77/74/1384857774.db2.gz YKJLFJMCARTZEJ-AYHJJNSGSA-N 2 2 349.519 3.014 20 0 EGADLP COc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC001172919905 1384879428 /nfs/dbraw/zinc/87/94/28/1384879428.db2.gz YPCHVDBOXAWJDY-AZUAARDMSA-N 2 2 332.488 3.207 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172975592 1384893954 /nfs/dbraw/zinc/89/39/54/1384893954.db2.gz SQSFTFWKXLEAHV-OAHLLOKOSA-N 2 2 336.480 3.166 20 0 EGADLP CCSC[C@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001173289569 1384952821 /nfs/dbraw/zinc/95/28/21/1384952821.db2.gz WPABMUDSVFHCMB-LBPRGKRZSA-N 2 2 333.592 3.169 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173482001 1384979048 /nfs/dbraw/zinc/97/90/48/1384979048.db2.gz SMRVJHZNAATSRX-INIZCTEOSA-N 2 2 330.378 3.289 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173482001 1384979054 /nfs/dbraw/zinc/97/90/54/1384979054.db2.gz SMRVJHZNAATSRX-INIZCTEOSA-N 2 2 330.378 3.289 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174579877 1385121977 /nfs/dbraw/zinc/12/19/77/1385121977.db2.gz DEHCMSAFSIUJSW-DUMMIQTOSA-N 2 2 334.508 3.284 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461033 1385298862 /nfs/dbraw/zinc/29/88/62/1385298862.db2.gz KYKGIHUNBUKAKA-SJORKVTESA-N 2 2 342.487 3.286 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175468521 1385301166 /nfs/dbraw/zinc/30/11/66/1385301166.db2.gz GJPNYNMSJSVMNJ-CABCVRRESA-N 2 2 346.450 3.117 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001175637554 1385359324 /nfs/dbraw/zinc/35/93/24/1385359324.db2.gz BZQURBIBJPZVMV-CVEARBPZSA-N 2 2 348.535 3.289 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001175637554 1385359331 /nfs/dbraw/zinc/35/93/31/1385359331.db2.gz BZQURBIBJPZVMV-CVEARBPZSA-N 2 2 348.535 3.289 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638676 1385359994 /nfs/dbraw/zinc/35/99/94/1385359994.db2.gz SFNMDFXPPPSXRN-IAGOWNOFSA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638676 1385359998 /nfs/dbraw/zinc/35/99/98/1385359998.db2.gz SFNMDFXPPPSXRN-IAGOWNOFSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175644653 1385362227 /nfs/dbraw/zinc/36/22/27/1385362227.db2.gz OUOSCQAJTIUOCC-IRXDYDNUSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175644653 1385362233 /nfs/dbraw/zinc/36/22/33/1385362233.db2.gz OUOSCQAJTIUOCC-IRXDYDNUSA-N 2 2 348.535 3.433 20 0 EGADLP CC1(C)CCC(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC001175757968 1385397184 /nfs/dbraw/zinc/39/71/84/1385397184.db2.gz IJTGENRACDHXGU-UHFFFAOYSA-N 2 2 335.536 3.009 20 0 EGADLP CCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993566 1385455101 /nfs/dbraw/zinc/45/51/01/1385455101.db2.gz RFLNDVNNFAGMLA-INIZCTEOSA-N 2 2 328.460 3.161 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC001176175846 1385503168 /nfs/dbraw/zinc/50/31/68/1385503168.db2.gz QWJMYYADUQLLGA-QGZVFWFLSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176350540 1385558551 /nfs/dbraw/zinc/55/85/51/1385558551.db2.gz GKMDFYBZBTZUBI-JKSUJKDBSA-N 2 2 336.524 3.207 20 0 EGADLP CC[C@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001176828534 1385715063 /nfs/dbraw/zinc/71/50/63/1385715063.db2.gz CBFBSCAHULTFCH-HKUYNNGSSA-N 2 2 342.487 3.299 20 0 EGADLP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001177431425 1385954658 /nfs/dbraw/zinc/95/46/58/1385954658.db2.gz YSULPZQBJOMUPQ-QGZVFWFLSA-N 2 2 334.508 3.241 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001177437429 1385956998 /nfs/dbraw/zinc/95/69/98/1385956998.db2.gz QTZSJLMCNNGZCU-QGZVFWFLSA-N 2 2 348.535 3.387 20 0 EGADLP CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001177437429 1385957000 /nfs/dbraw/zinc/95/70/00/1385957000.db2.gz QTZSJLMCNNGZCU-QGZVFWFLSA-N 2 2 348.535 3.387 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(OC)c1OC ZINC001177949080 1386093330 /nfs/dbraw/zinc/09/33/30/1386093330.db2.gz OXFLDDWOBZQHSV-UHFFFAOYSA-N 2 2 348.487 3.209 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]ccc1OC ZINC001178811649 1386314132 /nfs/dbraw/zinc/31/41/32/1386314132.db2.gz WSVYEONAPHKBSH-UHFFFAOYSA-N 2 2 335.492 3.089 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001178865140 1386333208 /nfs/dbraw/zinc/33/32/08/1386333208.db2.gz PIHRWSLBCGKTMJ-OAJJDEHYSA-N 2 2 346.519 3.068 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957165 1386360389 /nfs/dbraw/zinc/36/03/89/1386360389.db2.gz PDVXOWQZJDRWHY-BZSNNMDCSA-N 2 2 332.492 3.016 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001179141585 1386409421 /nfs/dbraw/zinc/40/94/21/1386409421.db2.gz BYWPQAJQBLZTPS-JEZUCGJFSA-N 2 2 340.471 3.273 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001319957765 1386418962 /nfs/dbraw/zinc/41/89/62/1386418962.db2.gz YRCIFXRYFRLVKR-XJKSGUPXSA-N 2 2 348.878 3.097 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N(C)C2CCCCC2)[nH+]1 ZINC001320052244 1386476756 /nfs/dbraw/zinc/47/67/56/1386476756.db2.gz JQKAVOLVOPPSJR-SFHVURJKSA-N 2 2 344.503 3.057 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)C2CCCCC2)[nH+]1 ZINC001320052244 1386476760 /nfs/dbraw/zinc/47/67/60/1386476760.db2.gz JQKAVOLVOPPSJR-SFHVURJKSA-N 2 2 344.503 3.057 20 0 EGADLP O=C(NCCCCCC[NH2+]CCCF)c1cccc(-n2cc[nH+]c2)c1 ZINC001179972976 1386654524 /nfs/dbraw/zinc/65/45/24/1386654524.db2.gz IDKQYPSHHRTDGD-UHFFFAOYSA-N 2 2 346.450 3.112 20 0 EGADLP CCCCC[NH2+]CCCCCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001180387054 1386781576 /nfs/dbraw/zinc/78/15/76/1386781576.db2.gz IWYUXUHPSALAAZ-LJQANCHMSA-N 2 2 348.535 3.141 20 0 EGADLP C[C@@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001180469689 1386807518 /nfs/dbraw/zinc/80/75/18/1386807518.db2.gz COGAZCUIYQVMTO-RTBURBONSA-N 2 2 348.535 3.366 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001698710922 1406352774 /nfs/dbraw/zinc/35/27/74/1406352774.db2.gz CFCGMUGJXIVQDH-BRSBDYLESA-N 2 2 348.535 3.288 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001698710922 1406352778 /nfs/dbraw/zinc/35/27/78/1406352778.db2.gz CFCGMUGJXIVQDH-BRSBDYLESA-N 2 2 348.535 3.288 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCC(=O)Nc1ccccc1F ZINC001338447970 1389685944 /nfs/dbraw/zinc/68/59/44/1389685944.db2.gz GJXTWBXGBBXDAZ-INIZCTEOSA-N 2 2 332.423 3.055 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc(OC)c1 ZINC001341568516 1390503491 /nfs/dbraw/zinc/50/34/91/1390503491.db2.gz ZAGQQNSTFZIILA-QGZVFWFLSA-N 2 2 341.455 3.484 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1ccc(OC(F)(F)F)cc1 ZINC001341728255 1390522658 /nfs/dbraw/zinc/52/26/58/1390522658.db2.gz DDNQGLYBQIYBPE-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc(OC(F)(F)F)cc1 ZINC001341728255 1390522659 /nfs/dbraw/zinc/52/26/59/1390522659.db2.gz DDNQGLYBQIYBPE-UHFFFAOYSA-N 2 2 327.350 3.346 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001698853198 1406557025 /nfs/dbraw/zinc/55/70/25/1406557025.db2.gz VKQAYKOWIAKCJO-BBRMVZONSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1ccc(C[N@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001480879150 1392995045 /nfs/dbraw/zinc/99/50/45/1392995045.db2.gz MNLNTSQEEADWFI-UHFFFAOYSA-N 2 2 336.439 3.042 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001480879150 1392995047 /nfs/dbraw/zinc/99/50/47/1392995047.db2.gz MNLNTSQEEADWFI-UHFFFAOYSA-N 2 2 336.439 3.042 20 0 EGADLP C[C@H](CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001480918482 1393020222 /nfs/dbraw/zinc/02/02/22/1393020222.db2.gz GBZBPMONJFKQCM-MRXNPFEDSA-N 2 2 334.508 3.099 20 0 EGADLP C[C@H](CC(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001480918482 1393020223 /nfs/dbraw/zinc/02/02/23/1393020223.db2.gz GBZBPMONJFKQCM-MRXNPFEDSA-N 2 2 334.508 3.099 20 0 EGADLP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698931529 1406668906 /nfs/dbraw/zinc/66/89/06/1406668906.db2.gz MHHDHHOGCMTGLW-LSDHHAIUSA-N 2 2 328.460 3.049 20 0 EGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]Cc1cccnc1C ZINC001481833963 1394550502 /nfs/dbraw/zinc/55/05/02/1394550502.db2.gz FLYWPEFBWMJIDM-GOSISDBHSA-N 2 2 340.471 3.008 20 0 EGADLP CC(C)[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@@H]1C ZINC001481960826 1394621854 /nfs/dbraw/zinc/62/18/54/1394621854.db2.gz HROHRXZZMJKRCA-HNAYVOBHSA-N 2 2 328.460 3.011 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001482100897 1394747344 /nfs/dbraw/zinc/74/73/44/1394747344.db2.gz JMRJADFVKSNEFR-CVEARBPZSA-N 2 2 344.503 3.280 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]cn1C ZINC001482498871 1395050785 /nfs/dbraw/zinc/05/07/85/1395050785.db2.gz NXYSMSXIRFVJJW-APWZRJJASA-N 2 2 348.535 3.006 20 0 EGADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCCC2CCCC2)C1 ZINC001484075137 1395236369 /nfs/dbraw/zinc/23/63/69/1395236369.db2.gz VRZPDCQKFPFPBA-FQEVSTJZSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001484075137 1395236374 /nfs/dbraw/zinc/23/63/74/1395236374.db2.gz VRZPDCQKFPFPBA-FQEVSTJZSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485394242 1395885833 /nfs/dbraw/zinc/88/58/33/1395885833.db2.gz GIVOLDCHGOODOB-HOTGVXAUSA-N 2 2 346.450 3.000 20 0 EGADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485394242 1395885836 /nfs/dbraw/zinc/88/58/36/1395885836.db2.gz GIVOLDCHGOODOB-HOTGVXAUSA-N 2 2 346.450 3.000 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C/C=C\Cl ZINC001485433870 1395901210 /nfs/dbraw/zinc/90/12/10/1395901210.db2.gz CVTQJLZUCRFLMX-ZHMISCPASA-N 2 2 348.878 3.163 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001505405524 1396291023 /nfs/dbraw/zinc/29/10/23/1396291023.db2.gz CYQIALKZUXGZBV-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001505405524 1396291026 /nfs/dbraw/zinc/29/10/26/1396291026.db2.gz CYQIALKZUXGZBV-KRWDZBQOSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001505407133 1396291892 /nfs/dbraw/zinc/29/18/92/1396291892.db2.gz XARBJYQCUIVQEM-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001492115340 1396305463 /nfs/dbraw/zinc/30/54/63/1396305463.db2.gz RYIVYUZZYJUFKM-STQMWFEESA-N 2 2 348.878 3.160 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001690130554 1404324992 /nfs/dbraw/zinc/32/49/92/1404324992.db2.gz GNAZNFGROHCUIU-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CCCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CC(C)C)CC1 ZINC001690135691 1404332978 /nfs/dbraw/zinc/33/29/78/1404332978.db2.gz PKWOBOGRXFRNLF-UHFFFAOYSA-N 2 2 342.487 3.307 20 0 EGADLP CC[C@H](C)C[NH2+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001690163280 1404361468 /nfs/dbraw/zinc/36/14/68/1404361468.db2.gz ZOTTWKVXGZIPEM-KXBFYZLASA-N 2 2 340.471 3.016 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047712 1404960894 /nfs/dbraw/zinc/96/08/94/1404960894.db2.gz FHOBDJIRHOLMPA-RDJZCZTQSA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691047712 1404960896 /nfs/dbraw/zinc/96/08/96/1404960896.db2.gz FHOBDJIRHOLMPA-RDJZCZTQSA-N 2 2 342.487 3.391 20 0 EGADLP C[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731775929 1427893039 /nfs/dbraw/zinc/89/30/39/1427893039.db2.gz LUJSEVVOHBVHPX-UITAMQMPSA-N 2 2 348.450 3.328 20 0 EGADLP C[N@H+](CC/C=C\c1ccccc1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001731775929 1427893045 /nfs/dbraw/zinc/89/30/45/1427893045.db2.gz LUJSEVVOHBVHPX-UITAMQMPSA-N 2 2 348.450 3.328 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069750 1428318096 /nfs/dbraw/zinc/31/80/96/1428318096.db2.gz AVZQIYDPKUKYRE-MRXNPFEDSA-N 2 2 342.487 3.393 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732069750 1428318102 /nfs/dbraw/zinc/31/81/02/1428318102.db2.gz AVZQIYDPKUKYRE-MRXNPFEDSA-N 2 2 342.487 3.393 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001732309964 1428523517 /nfs/dbraw/zinc/52/35/17/1428523517.db2.gz FFDYKGOMZOQERG-ULQDDVLXSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001732309964 1428523519 /nfs/dbraw/zinc/52/35/19/1428523519.db2.gz FFDYKGOMZOQERG-ULQDDVLXSA-N 2 2 334.508 3.042 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700525777 1414186407 /nfs/dbraw/zinc/18/64/07/1414186407.db2.gz RYRXAAIFKOZATE-GOSISDBHSA-N 2 2 334.508 3.139 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700525777 1414186409 /nfs/dbraw/zinc/18/64/09/1414186409.db2.gz RYRXAAIFKOZATE-GOSISDBHSA-N 2 2 334.508 3.139 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700525777 1414186414 /nfs/dbraw/zinc/18/64/14/1414186414.db2.gz RYRXAAIFKOZATE-GOSISDBHSA-N 2 2 334.508 3.139 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700525777 1414186416 /nfs/dbraw/zinc/18/64/16/1414186416.db2.gz RYRXAAIFKOZATE-GOSISDBHSA-N 2 2 334.508 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001714156113 1418966488 /nfs/dbraw/zinc/96/64/88/1418966488.db2.gz MDFPQYONJNKTBX-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001714156113 1418966490 /nfs/dbraw/zinc/96/64/90/1418966490.db2.gz MDFPQYONJNKTBX-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]Cc2cccc(F)c2)c(C)[nH+]1 ZINC001714255793 1419039843 /nfs/dbraw/zinc/03/98/43/1419039843.db2.gz DYLQBWKSLKEWEG-AWEZNQCLSA-N 2 2 329.419 3.054 20 0 EGADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001714491475 1419214901 /nfs/dbraw/zinc/21/49/01/1419214901.db2.gz DZCVCBQNZUWDQN-KLAILNCOSA-N 2 2 348.535 3.289 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001715269907 1419986138 /nfs/dbraw/zinc/98/61/38/1419986138.db2.gz JATPULJJIRAYTE-CHWSQXEVSA-N 2 2 348.878 3.017 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001715687827 1420295158 /nfs/dbraw/zinc/29/51/58/1420295158.db2.gz SGIMYSLNQLWUMM-HZPDHXFCSA-N 2 2 342.487 3.321 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001715987494 1420444798 /nfs/dbraw/zinc/44/47/98/1420444798.db2.gz NKDLCMJZIXPDFY-DOTOQJQBSA-N 2 2 336.439 3.194 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC001716768976 1420913895 /nfs/dbraw/zinc/91/38/95/1420913895.db2.gz JOMFTLUBPGVSJU-AEFFLSMTSA-N 2 2 334.508 3.069 20 0 EGADLP CC1(C)CCC(C[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CCC2)CC1 ZINC001717155089 1421145143 /nfs/dbraw/zinc/14/51/43/1421145143.db2.gz YQFSLRJKZFZODB-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCCC1 ZINC001724999177 1425407591 /nfs/dbraw/zinc/40/75/91/1425407591.db2.gz BYKODNKYSMUEGR-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCCC1CCCC1 ZINC001724999177 1425407594 /nfs/dbraw/zinc/40/75/94/1425407594.db2.gz BYKODNKYSMUEGR-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001725132526 1425603179 /nfs/dbraw/zinc/60/31/79/1425603179.db2.gz WVFLZQUBSYULLN-LMDPOFIKSA-N 2 2 348.535 3.315 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189170 1425730167 /nfs/dbraw/zinc/73/01/67/1425730167.db2.gz WQMZHPHAXPTYHJ-HZPDHXFCSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001725189170 1425730171 /nfs/dbraw/zinc/73/01/71/1425730171.db2.gz WQMZHPHAXPTYHJ-HZPDHXFCSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001725195453 1425748547 /nfs/dbraw/zinc/74/85/47/1425748547.db2.gz NLHQUFGQWGOLKJ-JSGCOSHPSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001725195453 1425748560 /nfs/dbraw/zinc/74/85/60/1425748560.db2.gz NLHQUFGQWGOLKJ-JSGCOSHPSA-N 2 2 348.878 3.112 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001731508202 1427496210 /nfs/dbraw/zinc/49/62/10/1427496210.db2.gz ZHHINVFWAQIFGZ-GOSISDBHSA-N 2 2 348.535 3.318 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001731508202 1427496214 /nfs/dbraw/zinc/49/62/14/1427496214.db2.gz ZHHINVFWAQIFGZ-GOSISDBHSA-N 2 2 348.535 3.318 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001734476654 1438125508 /nfs/dbraw/zinc/12/55/08/1438125508.db2.gz HICKELGZFFUTBK-OALUTQOASA-N 2 2 346.519 3.118 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752330194 1440171372 /nfs/dbraw/zinc/17/13/72/1440171372.db2.gz GTOLHLFIXLWRLF-ZBKUBXTQSA-N 2 2 332.492 3.161 20 0 EGADLP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752330194 1440171374 /nfs/dbraw/zinc/17/13/74/1440171374.db2.gz GTOLHLFIXLWRLF-ZBKUBXTQSA-N 2 2 332.492 3.161 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507915 1440189578 /nfs/dbraw/zinc/18/95/78/1440189578.db2.gz IQPAHFDCWZYYIV-ROUUACIJSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507915 1440189579 /nfs/dbraw/zinc/18/95/79/1440189579.db2.gz IQPAHFDCWZYYIV-ROUUACIJSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507915 1440189580 /nfs/dbraw/zinc/18/95/80/1440189580.db2.gz IQPAHFDCWZYYIV-ROUUACIJSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507915 1440189581 /nfs/dbraw/zinc/18/95/81/1440189581.db2.gz IQPAHFDCWZYYIV-ROUUACIJSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507916 1440189754 /nfs/dbraw/zinc/18/97/54/1440189754.db2.gz IQPAHFDCWZYYIV-ZWKOTPCHSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752507916 1440189755 /nfs/dbraw/zinc/18/97/55/1440189755.db2.gz IQPAHFDCWZYYIV-ZWKOTPCHSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507916 1440189756 /nfs/dbraw/zinc/18/97/56/1440189756.db2.gz IQPAHFDCWZYYIV-ZWKOTPCHSA-N 2 2 348.535 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752507916 1440189757 /nfs/dbraw/zinc/18/97/57/1440189757.db2.gz IQPAHFDCWZYYIV-ZWKOTPCHSA-N 2 2 348.535 3.195 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001752831611 1440225601 /nfs/dbraw/zinc/22/56/01/1440225601.db2.gz JGQCZVMVXPTUSD-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP Cc1cccc(Cl)c1C[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001752906628 1440244219 /nfs/dbraw/zinc/24/42/19/1440244219.db2.gz NNMBNKNKGFKMKJ-CABCVRRESA-N 2 2 348.878 3.091 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752971187 1440254887 /nfs/dbraw/zinc/25/48/87/1440254887.db2.gz JMEYQWPABSZJGF-IFOCYFHOSA-N 2 2 345.487 3.006 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330850 1440369350 /nfs/dbraw/zinc/36/93/50/1440369350.db2.gz NMPIKJDCYQNEPQ-CABCVRRESA-N 2 2 328.460 3.051 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001753330850 1440369351 /nfs/dbraw/zinc/36/93/51/1440369351.db2.gz NMPIKJDCYQNEPQ-CABCVRRESA-N 2 2 328.460 3.051 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753422361 1440395670 /nfs/dbraw/zinc/39/56/70/1440395670.db2.gz SXOQUDMWJPERMD-FEFZKZJHSA-N 2 2 338.455 3.208 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753422361 1440395671 /nfs/dbraw/zinc/39/56/71/1440395671.db2.gz SXOQUDMWJPERMD-FEFZKZJHSA-N 2 2 338.455 3.208 20 0 EGADLP CC[C@H]([NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC001753508543 1440425171 /nfs/dbraw/zinc/42/51/71/1440425171.db2.gz NACGQNJCRTUDAU-KRWDZBQOSA-N 2 2 340.471 3.122 20 0 EGADLP CC(C)(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001753567180 1440437893 /nfs/dbraw/zinc/43/78/93/1440437893.db2.gz ADESRJIVMCKYPV-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CC(C)(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001753567180 1440437894 /nfs/dbraw/zinc/43/78/94/1440437894.db2.gz ADESRJIVMCKYPV-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC(CC[NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001753570601 1440438491 /nfs/dbraw/zinc/43/84/91/1440438491.db2.gz INQSMMLYQICNPY-SFHVURJKSA-N 2 2 334.508 3.097 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCF)c(C)[nH+]1 ZINC001754344455 1440589380 /nfs/dbraw/zinc/58/93/80/1440589380.db2.gz DGXFCMUCQHNRGE-DLBZAZTESA-N 2 2 335.467 3.245 20 0 EGADLP CC(C)(C)CCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001754938819 1440711599 /nfs/dbraw/zinc/71/15/99/1440711599.db2.gz FSGFNJZHGJTDQO-MRXNPFEDSA-N 2 2 348.535 3.342 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cccnc2C)c(C)[nH+]1 ZINC001755246080 1440790634 /nfs/dbraw/zinc/79/06/34/1440790634.db2.gz KMKUNHROKMDXPJ-CABCVRRESA-N 2 2 340.471 3.007 20 0 EGADLP O=C(NC1(C[NH2+]C/C=C\Cl)CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001755352467 1440828171 /nfs/dbraw/zinc/82/81/71/1440828171.db2.gz BVHMRWIABZXDTR-YWEYNIOJSA-N 2 2 346.862 3.338 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[N@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412539 1440847016 /nfs/dbraw/zinc/84/70/16/1440847016.db2.gz VEJYBBALINEEMI-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[N@@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412539 1440847017 /nfs/dbraw/zinc/84/70/17/1440847017.db2.gz VEJYBBALINEEMI-WMZOPIPTSA-N 2 2 346.519 3.241 20 0 EGADLP CCCCC[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755529897 1440866940 /nfs/dbraw/zinc/86/69/40/1440866940.db2.gz LPTREGPRCCRYES-UHFFFAOYSA-N 2 2 342.487 3.369 20 0 EGADLP CCCCC[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001755529897 1440866941 /nfs/dbraw/zinc/86/69/41/1440866941.db2.gz LPTREGPRCCRYES-UHFFFAOYSA-N 2 2 342.487 3.369 20 0 EGADLP C[C@@H](CC(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001755534248 1440868729 /nfs/dbraw/zinc/86/87/29/1440868729.db2.gz GZBXTHOSQCBDGR-INIZCTEOSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001755534248 1440868730 /nfs/dbraw/zinc/86/87/30/1440868730.db2.gz GZBXTHOSQCBDGR-INIZCTEOSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001755590479 1440881381 /nfs/dbraw/zinc/88/13/81/1440881381.db2.gz OKBDPXHHSIVHFM-KBPBESRZSA-N 2 2 348.878 3.193 20 0 EGADLP CC(C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755680417 1440895047 /nfs/dbraw/zinc/89/50/47/1440895047.db2.gz GGHZWEVIGPLJEM-HOCLYGCPSA-N 2 2 328.460 3.192 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164875538 721328012 /nfs/dbraw/zinc/32/80/12/721328012.db2.gz MCECORTVSYFYSD-UHFFFAOYSA-N 2 2 336.867 3.100 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](CO)C2CCCCC2)n1-c1ccccc1 ZINC000339518771 282153232 /nfs/dbraw/zinc/15/32/32/282153232.db2.gz ORVYCLNBRKPHRU-SFHVURJKSA-N 2 2 327.472 3.459 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000353011331 282240634 /nfs/dbraw/zinc/24/06/34/282240634.db2.gz WLQFFFSPCCCHRP-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000353011331 282240637 /nfs/dbraw/zinc/24/06/37/282240637.db2.gz WLQFFFSPCCCHRP-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000353011331 282240641 /nfs/dbraw/zinc/24/06/41/282240641.db2.gz WLQFFFSPCCCHRP-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000353011331 282240643 /nfs/dbraw/zinc/24/06/43/282240643.db2.gz WLQFFFSPCCCHRP-BEFAXECRSA-N 2 2 344.890 3.360 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cscn3)cc2)C[C@@H](C)O1 ZINC000060523550 214640356 /nfs/dbraw/zinc/64/03/56/214640356.db2.gz MRFGFXLMMGLCQP-HUUCEWRRSA-N 2 2 331.485 3.042 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000166397453 530057855 /nfs/dbraw/zinc/05/78/55/530057855.db2.gz DGLUZKLATZAMHA-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000166397453 530057856 /nfs/dbraw/zinc/05/78/56/530057856.db2.gz DGLUZKLATZAMHA-HXUWFJFHSA-N 2 2 347.466 3.118 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1Cl ZINC000371291937 168583022 /nfs/dbraw/zinc/58/30/22/168583022.db2.gz AIDGGCJHDWMZHB-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)cc1Cl ZINC000371291937 168583024 /nfs/dbraw/zinc/58/30/24/168583024.db2.gz AIDGGCJHDWMZHB-PVAVHDDUSA-N 2 2 326.843 3.163 20 0 EGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068549516 215317678 /nfs/dbraw/zinc/31/76/78/215317678.db2.gz XPMJJPLEKHSYRG-UHFFFAOYSA-N 2 2 348.450 3.037 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000345064372 283115255 /nfs/dbraw/zinc/11/52/55/283115255.db2.gz DEVMSPLMPJXLOU-JOQOYGCGSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000345064372 283115257 /nfs/dbraw/zinc/11/52/57/283115257.db2.gz DEVMSPLMPJXLOU-JOQOYGCGSA-N 2 2 340.870 3.488 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000037301346 213139080 /nfs/dbraw/zinc/13/90/80/213139080.db2.gz NFEDXXOUTHPVAS-UHFFFAOYSA-N 2 2 327.266 3.033 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130590298 223163560 /nfs/dbraw/zinc/16/35/60/223163560.db2.gz VFXLZOBYFYJFBG-MRXNPFEDSA-N 2 2 339.439 3.253 20 0 EGADLP Clc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCCCO2 ZINC000022820868 212327030 /nfs/dbraw/zinc/32/70/30/212327030.db2.gz ZKBUJQFRYVBTRE-UHFFFAOYSA-N 2 2 336.863 3.218 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000132945597 223375166 /nfs/dbraw/zinc/37/51/66/223375166.db2.gz JRDOLOWPNMZPTJ-IAGOWNOFSA-N 2 2 332.492 3.088 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000229315816 242157969 /nfs/dbraw/zinc/15/79/69/242157969.db2.gz PIIBFXUBHDHURI-OXJNMPFZSA-N 2 2 347.466 3.397 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000229315816 242157972 /nfs/dbraw/zinc/15/79/72/242157972.db2.gz PIIBFXUBHDHURI-OXJNMPFZSA-N 2 2 347.466 3.397 20 0 EGADLP c1cc2c(cccc2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[nH]1 ZINC000236697054 242323673 /nfs/dbraw/zinc/32/36/73/242323673.db2.gz BGMYMLXSQBUMHD-UHFFFAOYSA-N 2 2 335.451 3.290 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000245772691 243154018 /nfs/dbraw/zinc/15/40/18/243154018.db2.gz SNYMYEPVJYZPTP-UEKVPHQBSA-N 2 2 329.271 3.242 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C[N@H+]1C1CC1 ZINC000245772691 243154023 /nfs/dbraw/zinc/15/40/23/243154023.db2.gz SNYMYEPVJYZPTP-UEKVPHQBSA-N 2 2 329.271 3.242 20 0 EGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCCO1 ZINC000346557042 296119266 /nfs/dbraw/zinc/11/92/66/296119266.db2.gz KTRGKPKGRMYGSN-YQVWRLOYSA-N 2 2 332.488 3.044 20 0 EGADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262643775 245090418 /nfs/dbraw/zinc/09/04/18/245090418.db2.gz UDTABXDKSGRPQV-YJBOKZPZSA-N 2 2 325.412 3.121 20 0 EGADLP [NH3+][C@H](CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000262773078 245171453 /nfs/dbraw/zinc/17/14/53/245171453.db2.gz BKGOYTAUUGDUAF-MRXNPFEDSA-N 2 2 344.484 3.158 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000264125223 246087845 /nfs/dbraw/zinc/08/78/45/246087845.db2.gz CLCFBRKCTRPZEA-SFHVURJKSA-N 2 2 338.455 3.025 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C[NH+]1CCCC1 ZINC000264932091 247058062 /nfs/dbraw/zinc/05/80/62/247058062.db2.gz XVTAMLXIQWYOSM-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266428571 248296297 /nfs/dbraw/zinc/29/62/97/248296297.db2.gz TXURTILYMFOKGX-UHFFFAOYSA-N 2 2 328.441 3.223 20 0 EGADLP CC[N@H+](C[C@H](O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266529512 248347095 /nfs/dbraw/zinc/34/70/95/248347095.db2.gz FPDGOLIQJBRILN-FQEVSTJZSA-N 2 2 339.483 3.354 20 0 EGADLP CC[N@@H+](C[C@H](O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266529512 248347097 /nfs/dbraw/zinc/34/70/97/248347097.db2.gz FPDGOLIQJBRILN-FQEVSTJZSA-N 2 2 339.483 3.354 20 0 EGADLP Fc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337864 169012502 /nfs/dbraw/zinc/01/25/02/169012502.db2.gz QPLPVFLMYHXQCV-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337864 169012503 /nfs/dbraw/zinc/01/25/03/169012503.db2.gz QPLPVFLMYHXQCV-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337864 169012504 /nfs/dbraw/zinc/01/25/04/169012504.db2.gz QPLPVFLMYHXQCV-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377337864 169012506 /nfs/dbraw/zinc/01/25/06/169012506.db2.gz QPLPVFLMYHXQCV-OALUTQOASA-N 2 2 325.431 3.175 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000378186120 169082139 /nfs/dbraw/zinc/08/21/39/169082139.db2.gz VYSPWVYRYWJYPW-PBHICJAKSA-N 2 2 343.471 3.307 20 0 EGADLP CC(C)(C)OC(=O)N1CCC([N@H+](CCCn2cc[nH+]c2)C2CC2)CC1 ZINC000378442568 169120998 /nfs/dbraw/zinc/12/09/98/169120998.db2.gz FHVZHNRFVIOLEM-UHFFFAOYSA-N 2 2 348.491 3.137 20 0 EGADLP CC(C)(C)OC(=O)N1CCC([N@@H+](CCCn2cc[nH+]c2)C2CC2)CC1 ZINC000378442568 169121001 /nfs/dbraw/zinc/12/10/01/169121001.db2.gz FHVZHNRFVIOLEM-UHFFFAOYSA-N 2 2 348.491 3.137 20 0 EGADLP O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000378442087 169121411 /nfs/dbraw/zinc/12/14/11/169121411.db2.gz MEBTXFQWOZNZKC-FQEVSTJZSA-N 2 2 346.434 3.282 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366569 169107942 /nfs/dbraw/zinc/10/79/42/169107942.db2.gz BCTLRWBYOGATRG-XYPHTWIQSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)c(F)c1 ZINC000378366569 169107943 /nfs/dbraw/zinc/10/79/43/169107943.db2.gz BCTLRWBYOGATRG-XYPHTWIQSA-N 2 2 326.843 3.163 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000091632097 218036596 /nfs/dbraw/zinc/03/65/96/218036596.db2.gz OQSCZLBNMPCVQG-BFYDXBDKSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000091632097 218036597 /nfs/dbraw/zinc/03/65/97/218036597.db2.gz OQSCZLBNMPCVQG-BFYDXBDKSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000091632097 218036598 /nfs/dbraw/zinc/03/65/98/218036598.db2.gz OQSCZLBNMPCVQG-BFYDXBDKSA-N 2 2 346.471 3.384 20 0 EGADLP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000091632097 218036600 /nfs/dbraw/zinc/03/66/00/218036600.db2.gz OQSCZLBNMPCVQG-BFYDXBDKSA-N 2 2 346.471 3.384 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1OC ZINC000092253932 218130856 /nfs/dbraw/zinc/13/08/56/218130856.db2.gz QEJNLYGUDRPBJH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1OC ZINC000092253932 218130858 /nfs/dbraw/zinc/13/08/58/218130858.db2.gz QEJNLYGUDRPBJH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1OC ZINC000092253932 218130859 /nfs/dbraw/zinc/13/08/59/218130859.db2.gz QEJNLYGUDRPBJH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000092253932 218130862 /nfs/dbraw/zinc/13/08/62/218130862.db2.gz QEJNLYGUDRPBJH-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP CCCCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093412879 218222593 /nfs/dbraw/zinc/22/25/93/218222593.db2.gz QSLHHVIABBGHNE-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP CCCCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093412879 218222595 /nfs/dbraw/zinc/22/25/95/218222595.db2.gz QSLHHVIABBGHNE-UHFFFAOYSA-N 2 2 334.504 3.144 20 0 EGADLP c1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093663979 218240817 /nfs/dbraw/zinc/24/08/17/218240817.db2.gz IRQLLMUJWSXCMM-SFHVURJKSA-N 2 2 344.499 3.162 20 0 EGADLP c1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093663979 218240819 /nfs/dbraw/zinc/24/08/19/218240819.db2.gz IRQLLMUJWSXCMM-SFHVURJKSA-N 2 2 344.499 3.162 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770349 218248370 /nfs/dbraw/zinc/24/83/70/218248370.db2.gz FAHDCZDZVFITCP-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770349 218248371 /nfs/dbraw/zinc/24/83/71/218248371.db2.gz FAHDCZDZVFITCP-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770349 218248373 /nfs/dbraw/zinc/24/83/73/218248373.db2.gz FAHDCZDZVFITCP-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000093770349 218248375 /nfs/dbraw/zinc/24/83/75/218248375.db2.gz FAHDCZDZVFITCP-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CCn1cc(C[N@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000093818732 218251900 /nfs/dbraw/zinc/25/19/00/218251900.db2.gz ZNRXNXQAQKKBNW-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cc(C[N@@H+](CC)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000093818732 218251902 /nfs/dbraw/zinc/25/19/02/218251902.db2.gz ZNRXNXQAQKKBNW-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cc(C[NH+](CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000093818732 218251904 /nfs/dbraw/zinc/25/19/04/218251904.db2.gz ZNRXNXQAQKKBNW-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cc(C[NH+](CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000093818732 218251907 /nfs/dbraw/zinc/25/19/07/218251907.db2.gz ZNRXNXQAQKKBNW-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP Clc1ccc2nc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2c1 ZINC000095428233 218370112 /nfs/dbraw/zinc/37/01/12/218370112.db2.gz MLXCHKQDQFEXMR-INIZCTEOSA-N 2 2 328.803 3.036 20 0 EGADLP Clc1ccc2nc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2c1 ZINC000095428233 218370114 /nfs/dbraw/zinc/37/01/14/218370114.db2.gz MLXCHKQDQFEXMR-INIZCTEOSA-N 2 2 328.803 3.036 20 0 EGADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385081 251007043 /nfs/dbraw/zinc/00/70/43/251007043.db2.gz BIGXQDVXTQBEJW-CJNGLKHVSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccc(Cl)cc1 ZINC000267385081 251007048 /nfs/dbraw/zinc/00/70/48/251007048.db2.gz BIGXQDVXTQBEJW-CJNGLKHVSA-N 2 2 344.846 3.048 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268792194 252244172 /nfs/dbraw/zinc/24/41/72/252244172.db2.gz DNBNBRPMOWTJPG-IAQYHMDHSA-N 2 2 325.334 3.447 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268835717 252284151 /nfs/dbraw/zinc/28/41/51/252284151.db2.gz SFISWRLGUDCQHS-STQMWFEESA-N 2 2 327.457 3.449 20 0 EGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268846189 252293521 /nfs/dbraw/zinc/29/35/21/252293521.db2.gz BONYGGUHHCSQFI-CVEARBPZSA-N 2 2 341.952 3.046 20 0 EGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268846189 252293525 /nfs/dbraw/zinc/29/35/25/252293525.db2.gz BONYGGUHHCSQFI-CVEARBPZSA-N 2 2 341.952 3.046 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268863861 252313067 /nfs/dbraw/zinc/31/30/67/252313067.db2.gz SGDQJGRIGAYOSM-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000268863861 252313071 /nfs/dbraw/zinc/31/30/71/252313071.db2.gz SGDQJGRIGAYOSM-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268851811 252300168 /nfs/dbraw/zinc/30/01/68/252300168.db2.gz WNNYQPKCKXEEKO-FQEVSTJZSA-N 2 2 338.499 3.094 20 0 EGADLP CCC[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)Nc1ccccc1OC ZINC000268875780 252324780 /nfs/dbraw/zinc/32/47/80/252324780.db2.gz VLNJWGUBBAWIHE-QGZVFWFLSA-N 2 2 347.503 3.220 20 0 EGADLP CCC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)Nc1ccccc1OC ZINC000268875780 252324783 /nfs/dbraw/zinc/32/47/83/252324783.db2.gz VLNJWGUBBAWIHE-QGZVFWFLSA-N 2 2 347.503 3.220 20 0 EGADLP CCC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccccc1OC ZINC000268875780 252324786 /nfs/dbraw/zinc/32/47/86/252324786.db2.gz VLNJWGUBBAWIHE-QGZVFWFLSA-N 2 2 347.503 3.220 20 0 EGADLP CCC[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)Nc1ccccc1OC ZINC000268875780 252324789 /nfs/dbraw/zinc/32/47/89/252324789.db2.gz VLNJWGUBBAWIHE-QGZVFWFLSA-N 2 2 347.503 3.220 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000112528170 220343934 /nfs/dbraw/zinc/34/39/34/220343934.db2.gz QLGIBGHDUUIDCD-LSDHHAIUSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)o1 ZINC000112528170 220343938 /nfs/dbraw/zinc/34/39/38/220343938.db2.gz QLGIBGHDUUIDCD-LSDHHAIUSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841683 221194725 /nfs/dbraw/zinc/19/47/25/221194725.db2.gz HRNNFIJPWKSUOM-KRWDZBQOSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841683 221194728 /nfs/dbraw/zinc/19/47/28/221194728.db2.gz HRNNFIJPWKSUOM-KRWDZBQOSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841683 221194733 /nfs/dbraw/zinc/19/47/33/221194733.db2.gz HRNNFIJPWKSUOM-KRWDZBQOSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841683 221194739 /nfs/dbraw/zinc/19/47/39/221194739.db2.gz HRNNFIJPWKSUOM-KRWDZBQOSA-N 2 2 331.504 3.331 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000118868076 221198811 /nfs/dbraw/zinc/19/88/11/221198811.db2.gz ZXXZTVIRDZNKAP-UHFFFAOYSA-N 2 2 337.895 3.251 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000118988538 221218246 /nfs/dbraw/zinc/21/82/46/221218246.db2.gz WAFWHEJAUVMQLN-IUODEOHRSA-N 2 2 328.403 3.117 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)ccc2OC(F)F)[C@H](C)C1 ZINC000118988538 221218248 /nfs/dbraw/zinc/21/82/48/221218248.db2.gz WAFWHEJAUVMQLN-IUODEOHRSA-N 2 2 328.403 3.117 20 0 EGADLP Fc1cccc(F)c1-n1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000155189606 224374109 /nfs/dbraw/zinc/37/41/09/224374109.db2.gz GNIWOQYIDAERHJ-UHFFFAOYSA-N 2 2 343.381 3.184 20 0 EGADLP O[C@H](C[NH2+]C1CCC2(CCCC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000339549051 285354249 /nfs/dbraw/zinc/35/42/49/285354249.db2.gz QKOQCERFKSAGJG-OAQYLSRUSA-N 2 2 342.527 3.498 20 0 EGADLP O[C@H](C[NH2+]C1CCC2(CCCC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000339549051 285354254 /nfs/dbraw/zinc/35/42/54/285354254.db2.gz QKOQCERFKSAGJG-OAQYLSRUSA-N 2 2 342.527 3.498 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)Cc2[nH+]ccn2CC(F)(F)F)c1C ZINC000171502179 533409726 /nfs/dbraw/zinc/40/97/26/533409726.db2.gz DRQGLLZHQVAANM-UHFFFAOYSA-N 2 2 342.365 3.098 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838600 533435823 /nfs/dbraw/zinc/43/58/23/533435823.db2.gz KHJUFFGAYROSFL-XLIONFOSSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838600 533435827 /nfs/dbraw/zinc/43/58/27/533435827.db2.gz KHJUFFGAYROSFL-XLIONFOSSA-N 2 2 325.456 3.023 20 0 EGADLP CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542642 141128399 /nfs/dbraw/zinc/12/83/99/141128399.db2.gz GXHQYJCIIWTHLG-XMSQKQJNSA-N 2 2 338.495 3.189 20 0 EGADLP CC[C@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542642 141128400 /nfs/dbraw/zinc/12/84/00/141128400.db2.gz GXHQYJCIIWTHLG-XMSQKQJNSA-N 2 2 338.495 3.189 20 0 EGADLP c1[nH]nc2cc(CC[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000342810138 141149903 /nfs/dbraw/zinc/14/99/03/141149903.db2.gz OUKLHDRKJFJJRO-HXUWFJFHSA-N 2 2 334.467 3.360 20 0 EGADLP c1[nH]nc2cc(CC[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000342810138 141149904 /nfs/dbraw/zinc/14/99/04/141149904.db2.gz OUKLHDRKJFJJRO-HXUWFJFHSA-N 2 2 334.467 3.360 20 0 EGADLP COc1cc2c(c(C[NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)c1)O[C@H](C)C2 ZINC000344523254 141168947 /nfs/dbraw/zinc/16/89/47/141168947.db2.gz XACFYBAJYLUOON-CABCVRRESA-N 2 2 341.455 3.191 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Br)cn1)CCC2 ZINC000344538237 141170811 /nfs/dbraw/zinc/17/08/11/141170811.db2.gz LBEISSZSWCYJKF-LBPRGKRZSA-N 2 2 335.249 3.016 20 0 EGADLP Fc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccnc2)c(F)c1 ZINC000346471544 141202432 /nfs/dbraw/zinc/20/24/32/141202432.db2.gz YAHLCINCSHAHMJ-GOSISDBHSA-N 2 2 328.366 3.326 20 0 EGADLP C[N@H+]1CC=C(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346633354 141208638 /nfs/dbraw/zinc/20/86/38/141208638.db2.gz YVKALJAEDUYIIU-IBGZPJMESA-N 2 2 329.394 3.301 20 0 EGADLP C[N@@H+]1CC=C(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000346633354 141208640 /nfs/dbraw/zinc/20/86/40/141208640.db2.gz YVKALJAEDUYIIU-IBGZPJMESA-N 2 2 329.394 3.301 20 0 EGADLP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1F ZINC000352973035 141280973 /nfs/dbraw/zinc/28/09/73/141280973.db2.gz KHBXMVFQESPRNJ-ROUUACIJSA-N 2 2 333.495 3.125 20 0 EGADLP CCc1nocc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000353474747 141305301 /nfs/dbraw/zinc/30/53/01/141305301.db2.gz VLHHIFAHVXBXAI-FQEVSTJZSA-N 2 2 325.456 3.335 20 0 EGADLP CCc1nocc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000353474747 141305302 /nfs/dbraw/zinc/30/53/02/141305302.db2.gz VLHHIFAHVXBXAI-FQEVSTJZSA-N 2 2 325.456 3.335 20 0 EGADLP CCc1nocc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000353474747 141305303 /nfs/dbraw/zinc/30/53/03/141305303.db2.gz VLHHIFAHVXBXAI-FQEVSTJZSA-N 2 2 325.456 3.335 20 0 EGADLP CCc1nocc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000353474747 141305304 /nfs/dbraw/zinc/30/53/04/141305304.db2.gz VLHHIFAHVXBXAI-FQEVSTJZSA-N 2 2 325.456 3.335 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc2n1C ZINC000356261812 141331277 /nfs/dbraw/zinc/33/12/77/141331277.db2.gz ZVJFTPXWZIQDCV-UHFFFAOYSA-N 2 2 330.476 3.120 20 0 EGADLP CCc1cccnc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000356839505 141351815 /nfs/dbraw/zinc/35/18/15/141351815.db2.gz DUUGGLDZVBRSSH-CRAIPNDOSA-N 2 2 339.487 3.352 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@H]2CCCOC2)CCOCC1)c1ccccc1 ZINC000356860360 141356621 /nfs/dbraw/zinc/35/66/21/141356621.db2.gz YUSDCPQFOGSACZ-BJLQDIEVSA-N 2 2 346.515 3.291 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632497 144073170 /nfs/dbraw/zinc/07/31/70/144073170.db2.gz XRYNOUUAAZGRJK-WBVHZDCISA-N 2 2 329.419 3.397 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632497 144073172 /nfs/dbraw/zinc/07/31/72/144073172.db2.gz XRYNOUUAAZGRJK-WBVHZDCISA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632497 144073174 /nfs/dbraw/zinc/07/31/74/144073174.db2.gz XRYNOUUAAZGRJK-WBVHZDCISA-N 2 2 329.419 3.397 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CC[C@@H]21 ZINC000178632497 144073176 /nfs/dbraw/zinc/07/31/76/144073176.db2.gz XRYNOUUAAZGRJK-WBVHZDCISA-N 2 2 329.419 3.397 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734403 144118004 /nfs/dbraw/zinc/11/80/04/144118004.db2.gz STWDLJGGOGSLIX-WBVHZDCISA-N 2 2 340.471 3.479 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734403 144118006 /nfs/dbraw/zinc/11/80/06/144118006.db2.gz STWDLJGGOGSLIX-WBVHZDCISA-N 2 2 340.471 3.479 20 0 EGADLP OCC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccco1 ZINC000186535811 144136405 /nfs/dbraw/zinc/13/64/05/144136405.db2.gz SQOVTWXTNSJXOF-LJQANCHMSA-N 2 2 346.446 3.139 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186879311 144145640 /nfs/dbraw/zinc/14/56/40/144145640.db2.gz XYHVXGFCLMXXRE-FXAWDEMLSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186879311 144145642 /nfs/dbraw/zinc/14/56/42/144145642.db2.gz XYHVXGFCLMXXRE-FXAWDEMLSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187171581 144154288 /nfs/dbraw/zinc/15/42/88/144154288.db2.gz JBFKRMPQLBIRLY-UZLBHIALSA-N 2 2 348.450 3.294 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734524 144217344 /nfs/dbraw/zinc/21/73/44/144217344.db2.gz XUJAWTMOEPQKSZ-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCC(=O)OC(C)(C)C ZINC000344734524 144217346 /nfs/dbraw/zinc/21/73/46/144217346.db2.gz XUJAWTMOEPQKSZ-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000351483809 144268037 /nfs/dbraw/zinc/26/80/37/144268037.db2.gz PMGYSOAPGDIRGA-KJCUYJGMSA-N 2 2 346.515 3.013 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000351483809 144268038 /nfs/dbraw/zinc/26/80/38/144268038.db2.gz PMGYSOAPGDIRGA-KJCUYJGMSA-N 2 2 346.515 3.013 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]12 ZINC000351495039 144269437 /nfs/dbraw/zinc/26/94/37/144269437.db2.gz OWGKUXWLRWGRBN-BPQIPLTHSA-N 2 2 327.497 3.097 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(CCc4ccccc4)n3)C[C@H]12 ZINC000351495039 144269438 /nfs/dbraw/zinc/26/94/38/144269438.db2.gz OWGKUXWLRWGRBN-BPQIPLTHSA-N 2 2 327.497 3.097 20 0 EGADLP Cc1ccc(CC[NH+](Cc2ccco2)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516243 144273093 /nfs/dbraw/zinc/27/30/93/144273093.db2.gz FEKOIJDDOVOWOL-HXUWFJFHSA-N 2 2 342.483 3.088 20 0 EGADLP Cc1ccc(CC[NH+](Cc2ccco2)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516243 144273095 /nfs/dbraw/zinc/27/30/95/144273095.db2.gz FEKOIJDDOVOWOL-HXUWFJFHSA-N 2 2 342.483 3.088 20 0 EGADLP Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516243 144273098 /nfs/dbraw/zinc/27/30/98/144273098.db2.gz FEKOIJDDOVOWOL-HXUWFJFHSA-N 2 2 342.483 3.088 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536678 144275755 /nfs/dbraw/zinc/27/57/55/144275755.db2.gz NXRXEXWLNYYNFW-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536678 144275757 /nfs/dbraw/zinc/27/57/57/144275757.db2.gz NXRXEXWLNYYNFW-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536678 144275759 /nfs/dbraw/zinc/27/57/59/144275759.db2.gz NXRXEXWLNYYNFW-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)C1CC1 ZINC000351536678 144275760 /nfs/dbraw/zinc/27/57/60/144275760.db2.gz NXRXEXWLNYYNFW-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP FC(F)(F)Oc1cccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351570708 144281876 /nfs/dbraw/zinc/28/18/76/144281876.db2.gz OMXGSQLXAHATBI-UHFFFAOYSA-N 2 2 348.328 3.259 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847527 144315990 /nfs/dbraw/zinc/31/59/90/144315990.db2.gz AEMZAPSCIWNONL-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000351847527 144315993 /nfs/dbraw/zinc/31/59/93/144315993.db2.gz AEMZAPSCIWNONL-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP COC1CC[NH+](C2(CNc3cc(C)[nH+]c(C(C)C)n3)CCCC2)CC1 ZINC000341134825 155182231 /nfs/dbraw/zinc/18/22/31/155182231.db2.gz YGMBFRWHWRULAY-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000116350617 152057536 /nfs/dbraw/zinc/05/75/36/152057536.db2.gz FXLYZCPBTBMAOR-SFHVURJKSA-N 2 2 346.434 3.047 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000117660879 152110844 /nfs/dbraw/zinc/11/08/44/152110844.db2.gz XDCCNRUCULPJGI-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000117660879 152110849 /nfs/dbraw/zinc/11/08/49/152110849.db2.gz XDCCNRUCULPJGI-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000118841381 152156954 /nfs/dbraw/zinc/15/69/54/152156954.db2.gz XSNNVAPWNBGETJ-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP C[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@H]1CCC[NH+](C)C1 ZINC000118841381 152156957 /nfs/dbraw/zinc/15/69/57/152156957.db2.gz XSNNVAPWNBGETJ-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841381 152156960 /nfs/dbraw/zinc/15/69/60/152156960.db2.gz XSNNVAPWNBGETJ-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP C[NH+](Cc1coc(-c2ccc(F)c(F)c2)n1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841381 152156965 /nfs/dbraw/zinc/15/69/65/152156965.db2.gz XSNNVAPWNBGETJ-ZDUSSCGKSA-N 2 2 335.398 3.393 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000121808801 152372676 /nfs/dbraw/zinc/37/26/76/152372676.db2.gz NNUJQYUQXTZWFA-UHFFFAOYSA-N 2 2 335.455 3.265 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC000341556739 155351744 /nfs/dbraw/zinc/35/17/44/155351744.db2.gz TXCNBEYBHZBNNS-LJQANCHMSA-N 2 2 335.407 3.494 20 0 EGADLP C[NH+](C)CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000341604121 155379214 /nfs/dbraw/zinc/37/92/14/155379214.db2.gz YIXMXFIJDPEPMP-LJQANCHMSA-N 3 2 332.536 3.002 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191092251 153174310 /nfs/dbraw/zinc/17/43/10/153174310.db2.gz KJCOIBJGOFQVQW-MRXNPFEDSA-N 2 2 341.503 3.348 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1 ZINC000191092423 153174448 /nfs/dbraw/zinc/17/44/48/153174448.db2.gz VAXCPRUALLTACX-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000303571542 154048159 /nfs/dbraw/zinc/04/81/59/154048159.db2.gz LFSREXMMCDTSKH-IBGZPJMESA-N 2 2 342.487 3.359 20 0 EGADLP O[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000305147621 154087401 /nfs/dbraw/zinc/08/74/01/154087401.db2.gz NUAGBJDCGSWKEL-LPHOPBHVSA-N 2 2 336.907 3.445 20 0 EGADLP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(Br)c1 ZINC000311340337 154146442 /nfs/dbraw/zinc/14/64/42/154146442.db2.gz KHGYPCLVCWRLMJ-UHFFFAOYSA-N 2 2 327.266 3.033 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777980 154164636 /nfs/dbraw/zinc/16/46/36/154164636.db2.gz LYUXKMAMFPCJNY-APHBMKBZSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000320777980 154164640 /nfs/dbraw/zinc/16/46/40/154164640.db2.gz LYUXKMAMFPCJNY-APHBMKBZSA-N 2 2 328.378 3.219 20 0 EGADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]CC[NH+]1CCCC1)CO2 ZINC000337306683 154274771 /nfs/dbraw/zinc/27/47/71/154274771.db2.gz RYYLRCUNIVEYSF-UHFFFAOYSA-N 2 2 327.255 3.455 20 0 EGADLP O=C(c1ccc2c[nH+]cn2c1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000339918517 155032460 /nfs/dbraw/zinc/03/24/60/155032460.db2.gz GNDAYPBSHVUURV-UHFFFAOYSA-N 2 2 335.342 3.044 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000346997958 156237173 /nfs/dbraw/zinc/23/71/73/156237173.db2.gz DUBJDRHMOYGJES-GXFFZTMASA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000346997958 156237175 /nfs/dbraw/zinc/23/71/75/156237175.db2.gz DUBJDRHMOYGJES-GXFFZTMASA-N 2 2 329.307 3.340 20 0 EGADLP COCC[N@H+](C)CC[C@H](Nc1cc[nH+]c(C(C)C)n1)c1ccccc1 ZINC000347026952 156256626 /nfs/dbraw/zinc/25/66/26/156256626.db2.gz DCKAUILGWNLJLD-SFHVURJKSA-N 2 2 342.487 3.143 20 0 EGADLP COCC[N@@H+](C)CC[C@H](Nc1cc[nH+]c(C(C)C)n1)c1ccccc1 ZINC000347026952 156256633 /nfs/dbraw/zinc/25/66/33/156256633.db2.gz DCKAUILGWNLJLD-SFHVURJKSA-N 2 2 342.487 3.143 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518439 157152318 /nfs/dbraw/zinc/15/23/18/157152318.db2.gz VYBLAWMZIRVASG-UKPHBRMFSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518439 157152324 /nfs/dbraw/zinc/15/23/24/157152324.db2.gz VYBLAWMZIRVASG-UKPHBRMFSA-N 2 2 347.484 3.087 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000365623327 157193752 /nfs/dbraw/zinc/19/37/52/157193752.db2.gz GDVXXELCKCQPMC-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000365623327 157193756 /nfs/dbraw/zinc/19/37/56/157193756.db2.gz GDVXXELCKCQPMC-CQSZACIVSA-N 2 2 346.862 3.200 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000365635660 157199070 /nfs/dbraw/zinc/19/90/70/157199070.db2.gz HVHURFCYHPKRPO-HNNXBMFYSA-N 2 2 339.468 3.318 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000365635660 157199073 /nfs/dbraw/zinc/19/90/73/157199073.db2.gz HVHURFCYHPKRPO-HNNXBMFYSA-N 2 2 339.468 3.318 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538570 157351609 /nfs/dbraw/zinc/35/16/09/157351609.db2.gz NEVNYBVLZSAMRQ-IMFGXOCKSA-N 2 2 341.503 3.281 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538570 157351611 /nfs/dbraw/zinc/35/16/11/157351611.db2.gz NEVNYBVLZSAMRQ-IMFGXOCKSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538570 157351614 /nfs/dbraw/zinc/35/16/14/157351614.db2.gz NEVNYBVLZSAMRQ-IMFGXOCKSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2cccnc2)[C@@H]1c1cnn(C)c1 ZINC000372538570 157351615 /nfs/dbraw/zinc/35/16/15/157351615.db2.gz NEVNYBVLZSAMRQ-IMFGXOCKSA-N 2 2 341.503 3.281 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093692791 162022402 /nfs/dbraw/zinc/02/24/02/162022402.db2.gz XTHLMTYVWKVOBM-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000093692791 162022406 /nfs/dbraw/zinc/02/24/06/162022406.db2.gz XTHLMTYVWKVOBM-CVEARBPZSA-N 2 2 332.488 3.182 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000093683873 162022439 /nfs/dbraw/zinc/02/24/39/162022439.db2.gz HVWSSCVWRIPPCD-KRWDZBQOSA-N 2 2 342.462 3.319 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000093683873 162022441 /nfs/dbraw/zinc/02/24/41/162022441.db2.gz HVWSSCVWRIPPCD-KRWDZBQOSA-N 2 2 342.462 3.319 20 0 EGADLP COCC[N@H+](C)CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110541159 162130049 /nfs/dbraw/zinc/13/00/49/162130049.db2.gz KBDMEOWPUXBRHC-GOSISDBHSA-N 2 2 340.471 3.476 20 0 EGADLP COCC[N@@H+](C)CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccc1 ZINC000110541159 162130058 /nfs/dbraw/zinc/13/00/58/162130058.db2.gz KBDMEOWPUXBRHC-GOSISDBHSA-N 2 2 340.471 3.476 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cnc2ccsc2c1 ZINC000305170364 163075956 /nfs/dbraw/zinc/07/59/56/163075956.db2.gz ZQICKRZPHXPNLB-ZBFHGGJFSA-N 2 2 333.501 3.040 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCSC(C)(C)CC3)c2cc1C ZINC000336878334 163085595 /nfs/dbraw/zinc/08/55/95/163085595.db2.gz DGWWHXBTAOVBTI-INIZCTEOSA-N 2 2 347.528 3.232 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCSC(C)(C)CC3)c2cc1C ZINC000336878334 163085598 /nfs/dbraw/zinc/08/55/98/163085598.db2.gz DGWWHXBTAOVBTI-INIZCTEOSA-N 2 2 347.528 3.232 20 0 EGADLP CCc1oc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C(=O)OC ZINC000338946262 163399207 /nfs/dbraw/zinc/39/92/07/163399207.db2.gz WRLIDXJJXUYMDB-OAHLLOKOSA-N 2 2 334.460 3.079 20 0 EGADLP CCc1oc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C(=O)OC ZINC000338946262 163399211 /nfs/dbraw/zinc/39/92/11/163399211.db2.gz WRLIDXJJXUYMDB-OAHLLOKOSA-N 2 2 334.460 3.079 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(CC)CC ZINC000344180678 164121004 /nfs/dbraw/zinc/12/10/04/164121004.db2.gz YACLLSFHQRLEJK-MSOLQXFVSA-N 2 2 340.552 3.449 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)c3cncc(F)c3)sc2C1 ZINC000344324695 164157201 /nfs/dbraw/zinc/15/72/01/164157201.db2.gz HBSNPRXKMOXOQQ-LBPRGKRZSA-N 2 2 334.464 3.295 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)c3cncc(F)c3)sc2C1 ZINC000344324695 164157202 /nfs/dbraw/zinc/15/72/02/164157202.db2.gz HBSNPRXKMOXOQQ-LBPRGKRZSA-N 2 2 334.464 3.295 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000345283156 164203191 /nfs/dbraw/zinc/20/31/91/164203191.db2.gz SVQGNUDVFYFWOX-KDOFPFPSSA-N 2 2 340.427 3.478 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000345283156 164203195 /nfs/dbraw/zinc/20/31/95/164203195.db2.gz SVQGNUDVFYFWOX-KDOFPFPSSA-N 2 2 340.427 3.478 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1CNc1[nH+]cccc1OC(F)F ZINC000346097107 164335566 /nfs/dbraw/zinc/33/55/66/164335566.db2.gz PTOGDCHPZUBBOL-UHFFFAOYSA-N 2 2 331.326 3.184 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1 ZINC000354855650 166049692 /nfs/dbraw/zinc/04/96/92/166049692.db2.gz UWTVYPUDZUCHLD-KDOFPFPSSA-N 2 2 349.438 3.132 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc2cccnc12 ZINC000346172389 164356120 /nfs/dbraw/zinc/35/61/20/164356120.db2.gz LNBTYTVSUQKFLA-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1cc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc2cccnc12 ZINC000346172389 164356121 /nfs/dbraw/zinc/35/61/21/164356121.db2.gz LNBTYTVSUQKFLA-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP c1cn(CCN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c[nH+]1 ZINC000346310814 164367740 /nfs/dbraw/zinc/36/77/40/164367740.db2.gz NZTPSNQIXSPXRB-UHFFFAOYSA-N 2 2 338.499 3.404 20 0 EGADLP c1cn(CCN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c[nH+]1 ZINC000346310814 164367742 /nfs/dbraw/zinc/36/77/42/164367742.db2.gz NZTPSNQIXSPXRB-UHFFFAOYSA-N 2 2 338.499 3.404 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346556605 164396323 /nfs/dbraw/zinc/39/63/23/164396323.db2.gz LTIJSGQPCXDPER-SCTDSRPQSA-N 2 2 328.435 3.168 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)Cc2ccc(CC)cc2)CC1 ZINC000350124118 165007085 /nfs/dbraw/zinc/00/70/85/165007085.db2.gz LDIMDQSWECEOES-UHFFFAOYSA-N 2 2 345.531 3.014 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)Cc2ccc(CC)cc2)CC1 ZINC000350124118 165007088 /nfs/dbraw/zinc/00/70/88/165007088.db2.gz LDIMDQSWECEOES-UHFFFAOYSA-N 2 2 345.531 3.014 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000350750366 165070304 /nfs/dbraw/zinc/07/03/04/165070304.db2.gz VHQDVEFWADJECK-INIZCTEOSA-N 2 2 340.462 3.092 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000350750366 165070306 /nfs/dbraw/zinc/07/03/06/165070306.db2.gz VHQDVEFWADJECK-INIZCTEOSA-N 2 2 340.462 3.092 20 0 EGADLP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346324 165096742 /nfs/dbraw/zinc/09/67/42/165096742.db2.gz YRALDRPUAHPVIJ-AZUAARDMSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346324 165096744 /nfs/dbraw/zinc/09/67/44/165096744.db2.gz YRALDRPUAHPVIJ-AZUAARDMSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351346324 165096747 /nfs/dbraw/zinc/09/67/47/165096747.db2.gz YRALDRPUAHPVIJ-AZUAARDMSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351346324 165096751 /nfs/dbraw/zinc/09/67/51/165096751.db2.gz YRALDRPUAHPVIJ-AZUAARDMSA-N 2 2 332.488 3.067 20 0 EGADLP Cc1cc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900639 165142185 /nfs/dbraw/zinc/14/21/85/165142185.db2.gz VMNBKKIHKMNEJH-VQIMIIECSA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900639 165142189 /nfs/dbraw/zinc/14/21/89/165142189.db2.gz VMNBKKIHKMNEJH-VQIMIIECSA-N 2 2 336.483 3.407 20 0 EGADLP COC(=O)[C@](C)(C[NH2+]CCCc1ccc(C)[nH+]c1)c1ccccc1 ZINC000355124725 166113172 /nfs/dbraw/zinc/11/31/72/166113172.db2.gz PFUNRRXKWLPSKU-HXUWFJFHSA-N 2 2 326.440 3.043 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c[nH+]1 ZINC000355158913 166120194 /nfs/dbraw/zinc/12/01/94/166120194.db2.gz OWJBNWBILNDTLJ-KRWDZBQOSA-N 2 2 329.419 3.400 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c[nH+]1 ZINC000355158913 166120195 /nfs/dbraw/zinc/12/01/95/166120195.db2.gz OWJBNWBILNDTLJ-KRWDZBQOSA-N 2 2 329.419 3.400 20 0 EGADLP Cc1nc(N2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)cc[nH+]1 ZINC000355360480 166174687 /nfs/dbraw/zinc/17/46/87/166174687.db2.gz CFZOYBGXTALRGI-UHFFFAOYSA-N 2 2 345.450 3.169 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@H]2CCCc3nn(C)cc32)[NH+](C)C)cc1 ZINC000358925503 167006977 /nfs/dbraw/zinc/00/69/77/167006977.db2.gz FDCBTWALQFSYKZ-AZUAARDMSA-N 2 2 326.488 3.252 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000359384177 167141806 /nfs/dbraw/zinc/14/18/06/167141806.db2.gz VFNBBIAEQUKOKD-OAHLLOKOSA-N 2 2 329.492 3.123 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000359527393 167179971 /nfs/dbraw/zinc/17/99/71/167179971.db2.gz XJDZYNNRISFIMV-INIZCTEOSA-N 2 2 332.492 3.307 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000360236024 167278354 /nfs/dbraw/zinc/27/83/54/167278354.db2.gz YPBUINGVYZWVCM-HXUWFJFHSA-N 2 2 325.456 3.023 20 0 EGADLP c1ccc2c(c1)SC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000360418252 167324477 /nfs/dbraw/zinc/32/44/77/167324477.db2.gz XZAPDILCWRISLZ-SFHVURJKSA-N 2 2 325.481 3.483 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360543656 167353859 /nfs/dbraw/zinc/35/38/59/167353859.db2.gz IHMVASOQFYKDLN-BZNIZROVSA-N 2 2 342.270 3.006 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360543656 167353863 /nfs/dbraw/zinc/35/38/63/167353863.db2.gz IHMVASOQFYKDLN-BZNIZROVSA-N 2 2 342.270 3.006 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000360553062 167356094 /nfs/dbraw/zinc/35/60/94/167356094.db2.gz QNQCFUYWAPLTQK-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cs2)cc1 ZINC000360553062 167356096 /nfs/dbraw/zinc/35/60/96/167356096.db2.gz QNQCFUYWAPLTQK-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000366919449 168157023 /nfs/dbraw/zinc/15/70/23/168157023.db2.gz CPVPZTORJNYYTJ-CQSZACIVSA-N 2 2 339.361 3.351 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000367377048 168217046 /nfs/dbraw/zinc/21/70/46/168217046.db2.gz GMYINKDERYTXTR-ZDUSSCGKSA-N 2 2 347.846 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000367377048 168217049 /nfs/dbraw/zinc/21/70/49/168217049.db2.gz GMYINKDERYTXTR-ZDUSSCGKSA-N 2 2 347.846 3.224 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367398081 168220689 /nfs/dbraw/zinc/22/06/89/168220689.db2.gz CIPFJBXXJLUZDB-VXGBXAGGSA-N 2 2 332.341 3.441 20 0 EGADLP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367398081 168220690 /nfs/dbraw/zinc/22/06/90/168220690.db2.gz CIPFJBXXJLUZDB-VXGBXAGGSA-N 2 2 332.341 3.441 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(Oc3cnccn3)cc1)CCCC2 ZINC000367415597 168222739 /nfs/dbraw/zinc/22/27/39/168222739.db2.gz OTEDYMBVGICDIH-UHFFFAOYSA-N 2 2 335.411 3.092 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000367437663 168224933 /nfs/dbraw/zinc/22/49/33/168224933.db2.gz JKTYZDJHJYROTL-MRXNPFEDSA-N 3 2 342.487 3.011 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1cccs1 ZINC000171690346 227222610 /nfs/dbraw/zinc/22/26/10/227222610.db2.gz DXLRJTOPXQPLDN-KGLIPLIRSA-N 2 2 347.488 3.011 20 0 EGADLP Nc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]c2ccccc12 ZINC000677878812 549349109 /nfs/dbraw/zinc/34/91/09/549349109.db2.gz RWTDGYASDWAEFJ-UHFFFAOYSA-N 2 2 339.487 3.304 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[NH+]1CCCCC1 ZINC000235484261 266207645 /nfs/dbraw/zinc/20/76/45/266207645.db2.gz YACGCVIBKMIUFF-CQSZACIVSA-N 2 2 325.294 3.456 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc4[nH]ccc43)[nH+]c2)C1 ZINC000269510157 266307187 /nfs/dbraw/zinc/30/71/87/266307187.db2.gz NYKOIKAOMSKUIZ-QGZVFWFLSA-N 2 2 335.455 3.315 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272667237 266894495 /nfs/dbraw/zinc/89/44/95/266894495.db2.gz JHZQLYOOCFQKNA-KRWDZBQOSA-N 2 2 343.437 3.296 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[C@H](C[NH+]4CCOCC4)C3)[nH+]c2c1 ZINC000274059802 267174353 /nfs/dbraw/zinc/17/43/53/267174353.db2.gz MUHKGWUDJSHGGK-QGZVFWFLSA-N 2 2 325.456 3.010 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[C@]12CCCO2 ZINC000274173519 267193624 /nfs/dbraw/zinc/19/36/24/267193624.db2.gz HYQYEJCRUXYSJJ-XWPNQZOQSA-N 2 2 341.455 3.250 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)[nH]1 ZINC000274316516 267215895 /nfs/dbraw/zinc/21/58/95/267215895.db2.gz NWLDDRUAXNNJJY-AWEZNQCLSA-N 2 2 325.441 3.308 20 0 EGADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)[nH]1 ZINC000274316516 267215896 /nfs/dbraw/zinc/21/58/96/267215896.db2.gz NWLDDRUAXNNJJY-AWEZNQCLSA-N 2 2 325.441 3.308 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)[C@H](C)C1 ZINC000275279576 267340760 /nfs/dbraw/zinc/34/07/60/267340760.db2.gz DMPNIKAIXOTKDK-CRAIPNDOSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC)[C@H](C)C1 ZINC000275279576 267340762 /nfs/dbraw/zinc/34/07/62/267340762.db2.gz DMPNIKAIXOTKDK-CRAIPNDOSA-N 2 2 338.467 3.061 20 0 EGADLP C[NH+](C)C1(CN[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CCCCC1 ZINC000275574975 267384090 /nfs/dbraw/zinc/38/40/90/267384090.db2.gz BFVPDKKMGSGJKL-QGZVFWFLSA-N 2 2 330.451 3.492 20 0 EGADLP COc1cccc2c(NCC3([NH+]4CCCC4)CCOCC3)cc[nH+]c12 ZINC000275591376 267386042 /nfs/dbraw/zinc/38/60/42/267386042.db2.gz OSNIQMYTQNJPBD-UHFFFAOYSA-N 2 2 341.455 3.300 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+](C)C)CCC2)c(Cl)c1 ZINC000275651060 267399354 /nfs/dbraw/zinc/39/93/54/267399354.db2.gz DRSGBWQKHKXKOU-AWEZNQCLSA-N 2 2 337.895 3.439 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489194 268024973 /nfs/dbraw/zinc/02/49/73/268024973.db2.gz BIMZPVJQFWNTRU-ILWGZMRPSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000278489194 268024974 /nfs/dbraw/zinc/02/49/74/268024974.db2.gz BIMZPVJQFWNTRU-ILWGZMRPSA-N 3 2 341.543 3.361 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278548919 268038005 /nfs/dbraw/zinc/03/80/05/268038005.db2.gz HBTNGSAIDAEDAG-QGZVFWFLSA-N 2 2 345.487 3.024 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564961 268040763 /nfs/dbraw/zinc/04/07/63/268040763.db2.gz VXGYJXYDWGQOQP-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564961 268040766 /nfs/dbraw/zinc/04/07/66/268040766.db2.gz VXGYJXYDWGQOQP-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564961 268040769 /nfs/dbraw/zinc/04/07/69/268040769.db2.gz VXGYJXYDWGQOQP-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278564961 268040770 /nfs/dbraw/zinc/04/07/70/268040770.db2.gz VXGYJXYDWGQOQP-LJQANCHMSA-N 2 2 339.483 3.434 20 0 EGADLP CCOC(=O)CC[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000093301384 273688533 /nfs/dbraw/zinc/68/85/33/273688533.db2.gz JVEFMJBPDGLCMC-UHFFFAOYSA-N 2 2 329.444 3.189 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@@H]1[NH3+] ZINC000262130369 274354537 /nfs/dbraw/zinc/35/45/37/274354537.db2.gz YBZABLQAQMKOSP-ACJLOTCBSA-N 2 2 343.858 3.371 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@@H]1[NH3+] ZINC000262130369 274354538 /nfs/dbraw/zinc/35/45/38/274354538.db2.gz YBZABLQAQMKOSP-ACJLOTCBSA-N 2 2 343.858 3.371 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000109787733 275179285 /nfs/dbraw/zinc/17/92/85/275179285.db2.gz UEFJAHKPFSGGFU-KRWDZBQOSA-N 2 2 345.531 3.232 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000109787733 275179286 /nfs/dbraw/zinc/17/92/86/275179286.db2.gz UEFJAHKPFSGGFU-KRWDZBQOSA-N 2 2 345.531 3.232 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000109786594 275179338 /nfs/dbraw/zinc/17/93/38/275179338.db2.gz DGDAMVCNAUUFPV-OAQYLSRUSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000109786594 275179339 /nfs/dbraw/zinc/17/93/39/275179339.db2.gz DGDAMVCNAUUFPV-OAQYLSRUSA-N 2 2 345.531 3.306 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(O)c1 ZINC000194856321 275228208 /nfs/dbraw/zinc/22/82/08/275228208.db2.gz METADXXTXYDXET-MRXNPFEDSA-N 2 2 326.440 3.075 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(O)c1 ZINC000194856311 275228287 /nfs/dbraw/zinc/22/82/87/275228287.db2.gz METADXXTXYDXET-INIZCTEOSA-N 2 2 326.440 3.075 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000278889970 275284823 /nfs/dbraw/zinc/28/48/23/275284823.db2.gz YMQDQRLAOFRUTR-QLFBSQMISA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000278889970 275284825 /nfs/dbraw/zinc/28/48/25/275284825.db2.gz YMQDQRLAOFRUTR-QLFBSQMISA-N 2 2 334.460 3.370 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CCO1 ZINC000279109837 275304496 /nfs/dbraw/zinc/30/44/96/275304496.db2.gz KEBSUBRWFKRFNN-OCCSQVGLSA-N 2 2 334.489 3.184 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCC1 ZINC000285308258 275863702 /nfs/dbraw/zinc/86/37/02/275863702.db2.gz SJPYXUONKRLADY-QGZVFWFLSA-N 2 2 345.487 3.114 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000287464370 276122113 /nfs/dbraw/zinc/12/21/13/276122113.db2.gz IZONAUVKDPPUCF-MRXNPFEDSA-N 2 2 330.407 3.262 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287506103 276126668 /nfs/dbraw/zinc/12/66/68/276126668.db2.gz LVTALKCGSMXBGN-INIZCTEOSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000287506103 276126669 /nfs/dbraw/zinc/12/66/69/276126669.db2.gz LVTALKCGSMXBGN-INIZCTEOSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000287506107 276126771 /nfs/dbraw/zinc/12/67/71/276126771.db2.gz LVTALKCGSMXBGN-MRXNPFEDSA-N 2 2 338.455 3.437 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000287506107 276126772 /nfs/dbraw/zinc/12/67/72/276126772.db2.gz LVTALKCGSMXBGN-MRXNPFEDSA-N 2 2 338.455 3.437 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540466 276130591 /nfs/dbraw/zinc/13/05/91/276130591.db2.gz PHNFFZVSDOCKEM-MBOZVWFJSA-N 2 2 339.483 3.479 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000287540466 276130592 /nfs/dbraw/zinc/13/05/92/276130592.db2.gz PHNFFZVSDOCKEM-MBOZVWFJSA-N 2 2 339.483 3.479 20 0 EGADLP COCCc1cc[nH+]c(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000287694858 276148213 /nfs/dbraw/zinc/14/82/13/276148213.db2.gz WVDWECLIBRLYPC-UHFFFAOYSA-N 2 2 339.483 3.390 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000289498676 276348413 /nfs/dbraw/zinc/34/84/13/276348413.db2.gz CCPVWUAVXVYKDX-UHFFFAOYSA-N 2 2 329.419 3.400 20 0 EGADLP CC(C)n1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000289528636 276353197 /nfs/dbraw/zinc/35/31/97/276353197.db2.gz BQSAGXQOCGOJDU-IRXDYDNUSA-N 2 2 341.503 3.105 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nncn1C ZINC000289537493 276354565 /nfs/dbraw/zinc/35/45/65/276354565.db2.gz QGZCOZFGSXVBHK-NEWSRXKRSA-N 2 2 341.503 3.155 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nncn1C ZINC000289537493 276354566 /nfs/dbraw/zinc/35/45/66/276354566.db2.gz QGZCOZFGSXVBHK-NEWSRXKRSA-N 2 2 341.503 3.155 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000289645856 276371500 /nfs/dbraw/zinc/37/15/00/276371500.db2.gz LGVQIOGSITWJMP-IBGZPJMESA-N 2 2 337.467 3.308 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000289645856 276371501 /nfs/dbraw/zinc/37/15/01/276371501.db2.gz LGVQIOGSITWJMP-IBGZPJMESA-N 2 2 337.467 3.308 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cnc(C(C)(C)C)nc1 ZINC000289789153 276394980 /nfs/dbraw/zinc/39/49/80/276394980.db2.gz LUMXZYHVIAIIMD-UHFFFAOYSA-N 2 2 330.476 3.321 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cnc(C(C)(C)C)nc1 ZINC000289789153 276394982 /nfs/dbraw/zinc/39/49/82/276394982.db2.gz LUMXZYHVIAIIMD-UHFFFAOYSA-N 2 2 330.476 3.321 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1cnc(C(C)(C)C)nc1)Cc1ccco1 ZINC000289789153 276394983 /nfs/dbraw/zinc/39/49/83/276394983.db2.gz LUMXZYHVIAIIMD-UHFFFAOYSA-N 2 2 330.476 3.321 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1cnc(C(C)(C)C)nc1)Cc1ccco1 ZINC000289789153 276394986 /nfs/dbraw/zinc/39/49/86/276394986.db2.gz LUMXZYHVIAIIMD-UHFFFAOYSA-N 2 2 330.476 3.321 20 0 EGADLP COCc1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000290986600 276569683 /nfs/dbraw/zinc/56/96/83/276569683.db2.gz SKTNSSQSALCIEG-ZWKOTPCHSA-N 2 2 349.475 3.002 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(N2CCCNC2=O)cc1 ZINC000291065217 276583643 /nfs/dbraw/zinc/58/36/43/276583643.db2.gz KQCGVZPGGRVJPL-OAHLLOKOSA-N 2 2 349.438 3.105 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832582 277069579 /nfs/dbraw/zinc/06/95/79/277069579.db2.gz YJHCYOOCPJKKRW-CZUORRHYSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832582 277069581 /nfs/dbraw/zinc/06/95/81/277069581.db2.gz YJHCYOOCPJKKRW-CZUORRHYSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832582 277069582 /nfs/dbraw/zinc/06/95/82/277069582.db2.gz YJHCYOOCPJKKRW-CZUORRHYSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3Cl)OCCO4)CC[C@H]21 ZINC000343832582 277069584 /nfs/dbraw/zinc/06/95/84/277069584.db2.gz YJHCYOOCPJKKRW-CZUORRHYSA-N 2 2 336.863 3.027 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)[C@H]1CCOC1 ZINC000154865081 288044496 /nfs/dbraw/zinc/04/44/96/288044496.db2.gz IXHJIUZPEBWMOK-IHPCNDPISA-N 2 2 332.488 3.237 20 0 EGADLP Cc1nc(N2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)cc[nH+]1 ZINC000353635887 279165108 /nfs/dbraw/zinc/16/51/08/279165108.db2.gz NRAPSRGPIZVXOF-KRWDZBQOSA-N 2 2 328.847 3.248 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000246600139 279232805 /nfs/dbraw/zinc/23/28/05/279232805.db2.gz QLGIBGHDUUIDCD-CABCVRRESA-N 2 2 328.460 3.461 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000246600139 279232806 /nfs/dbraw/zinc/23/28/06/279232806.db2.gz QLGIBGHDUUIDCD-CABCVRRESA-N 2 2 328.460 3.461 20 0 EGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000176030511 279826360 /nfs/dbraw/zinc/82/63/60/279826360.db2.gz NJYDXAFULFEIOI-QGZVFWFLSA-N 2 2 345.491 3.053 20 0 EGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351583653 280274499 /nfs/dbraw/zinc/27/44/99/280274499.db2.gz UUPKWYUORYITBS-LPHOPBHVSA-N 2 2 330.472 3.483 20 0 EGADLP Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351583653 280274501 /nfs/dbraw/zinc/27/45/01/280274501.db2.gz UUPKWYUORYITBS-LPHOPBHVSA-N 2 2 330.472 3.483 20 0 EGADLP C[C@@]1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCC[NH2+]C1 ZINC000353002398 289151327 /nfs/dbraw/zinc/15/13/27/289151327.db2.gz DKFJBSVMNHJRGB-LJQANCHMSA-N 2 2 326.444 3.091 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000125600619 307557436 /nfs/dbraw/zinc/55/74/36/307557436.db2.gz VMEWGTHDYBWMLK-QFBILLFUSA-N 2 2 349.438 3.101 20 0 EGADLP CCCCOc1ccccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000136142457 307709626 /nfs/dbraw/zinc/70/96/26/307709626.db2.gz HFLGLDSKUVUJKO-UHFFFAOYSA-N 2 2 345.531 3.079 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1OCC ZINC000414253686 309068946 /nfs/dbraw/zinc/06/89/46/309068946.db2.gz JMVBDGGVVBDWRP-AWEZNQCLSA-N 2 2 346.475 3.134 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)ccc1OC(C)C ZINC000414255708 309069031 /nfs/dbraw/zinc/06/90/31/309069031.db2.gz CTULDFAFCYJQPB-AWEZNQCLSA-N 2 2 346.475 3.133 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)n1C ZINC000414282623 309070370 /nfs/dbraw/zinc/07/03/70/309070370.db2.gz DFZIHFXSSTYXIX-AWEZNQCLSA-N 2 2 326.366 3.269 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000414287488 309070630 /nfs/dbraw/zinc/07/06/30/309070630.db2.gz KLZXBKYZFAOWIZ-OZOXKJRCSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000414287488 309070631 /nfs/dbraw/zinc/07/06/31/309070631.db2.gz KLZXBKYZFAOWIZ-OZOXKJRCSA-N 2 2 342.458 3.154 20 0 EGADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3c[nH+]c(N(C)C)n3C)c(C)c2c1 ZINC000414335128 309073435 /nfs/dbraw/zinc/07/34/35/309073435.db2.gz JCKZJUZYGOZEMT-CYBMUJFWSA-N 2 2 342.443 3.400 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)c2c(F)cccc2Cl)n1C ZINC000414356561 309074682 /nfs/dbraw/zinc/07/46/82/309074682.db2.gz FERYVJDNVZRNQZ-UHFFFAOYSA-N 2 2 338.858 3.346 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000414447166 309080773 /nfs/dbraw/zinc/08/07/73/309080773.db2.gz WKSMLUUOYDOPHA-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000414447166 309080774 /nfs/dbraw/zinc/08/07/74/309080774.db2.gz WKSMLUUOYDOPHA-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000414447166 309080775 /nfs/dbraw/zinc/08/07/75/309080775.db2.gz WKSMLUUOYDOPHA-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000414447166 309080776 /nfs/dbraw/zinc/08/07/76/309080776.db2.gz WKSMLUUOYDOPHA-OXQOHEQNSA-N 2 2 342.462 3.236 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC000293015981 308090290 /nfs/dbraw/zinc/09/02/90/308090290.db2.gz CDAHBWFYNJSRLM-MNZLEMJZSA-N 2 2 341.503 3.174 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC000293015981 308090292 /nfs/dbraw/zinc/09/02/92/308090292.db2.gz CDAHBWFYNJSRLM-MNZLEMJZSA-N 2 2 341.503 3.174 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000293027233 308091390 /nfs/dbraw/zinc/09/13/90/308091390.db2.gz ITIRQKPDDOJZMY-UHFFFAOYSA-N 2 2 333.520 3.046 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000293027233 308091391 /nfs/dbraw/zinc/09/13/91/308091391.db2.gz ITIRQKPDDOJZMY-UHFFFAOYSA-N 2 2 333.520 3.046 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1C ZINC000414459027 309081515 /nfs/dbraw/zinc/08/15/15/309081515.db2.gz VKZXNIBQAQNDGL-IBGZPJMESA-N 2 2 326.488 3.120 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000414459027 309081516 /nfs/dbraw/zinc/08/15/16/309081516.db2.gz VKZXNIBQAQNDGL-IBGZPJMESA-N 2 2 326.488 3.120 20 0 EGADLP Fc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)c2nnc[nH]2)cc1 ZINC000293231860 308111921 /nfs/dbraw/zinc/11/19/21/308111921.db2.gz ATTPHLMYCCIPGG-GOSISDBHSA-N 2 2 345.466 3.279 20 0 EGADLP [NH3+]CCN(Cc1ccc(N2CCCC2)[nH+]c1)c1ccc2ccccc2n1 ZINC000414482088 309083506 /nfs/dbraw/zinc/08/35/06/309083506.db2.gz CTEOLQRDIQLTOP-UHFFFAOYSA-N 2 2 347.466 3.195 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000293574438 308143098 /nfs/dbraw/zinc/14/30/98/308143098.db2.gz NDYZXOMZKUDWCA-GDBMZVCRSA-N 2 2 340.895 3.272 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Cl)[C@H](C)C1 ZINC000293574438 308143100 /nfs/dbraw/zinc/14/31/00/308143100.db2.gz NDYZXOMZKUDWCA-GDBMZVCRSA-N 2 2 340.895 3.272 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882920 308170838 /nfs/dbraw/zinc/17/08/38/308170838.db2.gz VNADLHUCIVLWCK-ZBFHGGJFSA-N 2 2 333.505 3.057 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882920 308170840 /nfs/dbraw/zinc/17/08/40/308170840.db2.gz VNADLHUCIVLWCK-ZBFHGGJFSA-N 2 2 333.505 3.057 20 0 EGADLP FC(F)(F)c1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000294796941 308258157 /nfs/dbraw/zinc/25/81/57/308258157.db2.gz MLYUQUHRYHHFPI-UHFFFAOYSA-N 2 2 336.361 3.254 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000295895194 308372182 /nfs/dbraw/zinc/37/21/82/308372182.db2.gz IKFPYVDBZFEJRX-DLBZAZTESA-N 2 2 332.517 3.396 20 0 EGADLP CN(C)c1ncc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)s1 ZINC000295927860 308375645 /nfs/dbraw/zinc/37/56/45/308375645.db2.gz FJXKNXGMWAFFJA-UHFFFAOYSA-N 2 2 347.875 3.338 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nc(Cl)ccc32)CCO1 ZINC000296503717 308434590 /nfs/dbraw/zinc/43/45/90/308434590.db2.gz QEBWEAWUBLVAOZ-JDFRZJQESA-N 2 2 346.862 3.356 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414738026 309098146 /nfs/dbraw/zinc/09/81/46/309098146.db2.gz AXLVZWAIOMQHCV-SZMVWBNQSA-N 3 2 326.488 3.197 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414738026 309098147 /nfs/dbraw/zinc/09/81/47/309098147.db2.gz AXLVZWAIOMQHCV-SZMVWBNQSA-N 3 2 326.488 3.197 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000414766258 309099463 /nfs/dbraw/zinc/09/94/63/309099463.db2.gz HJPDVFNWXITNNJ-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000414766258 309099464 /nfs/dbraw/zinc/09/94/64/309099464.db2.gz HJPDVFNWXITNNJ-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)no1 ZINC000298234600 308595855 /nfs/dbraw/zinc/59/58/55/308595855.db2.gz BPMLHAGEEBDBTM-UHFFFAOYSA-N 2 2 343.471 3.487 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000414796431 309101995 /nfs/dbraw/zinc/10/19/95/309101995.db2.gz ALSVPSBNAOFTKW-LBPRGKRZSA-N 2 2 337.183 3.295 20 0 EGADLP Cc1nc(C[NH+]2CCC(CNc3nc(C)[nH+]c(C)c3C)CC2)oc1C ZINC000301449069 308700815 /nfs/dbraw/zinc/70/08/15/308700815.db2.gz RXTJLYRBNVZYQI-UHFFFAOYSA-N 2 2 343.475 3.331 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NCCCCn3cc[nH+]c3C)c2c1 ZINC000301916226 308721457 /nfs/dbraw/zinc/72/14/57/308721457.db2.gz GVFZQCGTUOEVBC-UHFFFAOYSA-N 2 2 325.416 3.344 20 0 EGADLP CN(Cc1[nH+]ccn1C)c1cc[nH+]c2cc(Br)ccc21 ZINC000301920048 308721806 /nfs/dbraw/zinc/72/18/06/308721806.db2.gz KIQAMBMAWQHPAS-UHFFFAOYSA-N 2 2 331.217 3.367 20 0 EGADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329034103 308777065 /nfs/dbraw/zinc/77/70/65/308777065.db2.gz QPFOHJUAYHBSOI-JNNRSPCRSA-N 2 2 344.503 3.029 20 0 EGADLP COc1cc2c(cc1C[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1)OCO2 ZINC000414854210 309105647 /nfs/dbraw/zinc/10/56/47/309105647.db2.gz YUDDONONRVQRMM-KRWDZBQOSA-N 2 2 342.439 3.337 20 0 EGADLP c1c(C[NH2+][C@H]2CC[NH2+]C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000414862877 309106088 /nfs/dbraw/zinc/10/60/88/309106088.db2.gz ADCYRIJUUHZVKS-FQEVSTJZSA-N 2 2 332.451 3.050 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)c1 ZINC000414886376 309107302 /nfs/dbraw/zinc/10/73/02/309107302.db2.gz PVUVUSWNGRADAZ-SFTDATJTSA-N 2 2 340.467 3.329 20 0 EGADLP O=C(Nc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1)c1ccccc1Cl ZINC000414891363 309107611 /nfs/dbraw/zinc/10/76/11/309107611.db2.gz NXNQURYZDJXUMY-INIZCTEOSA-N 2 2 343.858 3.434 20 0 EGADLP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000414935018 309109901 /nfs/dbraw/zinc/10/99/01/309109901.db2.gz UCFASDQQUMNBAW-NRFANRHFSA-N 2 2 336.483 3.295 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccccc2OCc2ccccc2)CCC[NH2+]1 ZINC000414937535 309110072 /nfs/dbraw/zinc/11/00/72/309110072.db2.gz DAXLBVFOTZYBNQ-NRFANRHFSA-N 2 2 340.467 3.124 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)CCC[NH2+]1 ZINC000414943422 309110481 /nfs/dbraw/zinc/11/04/81/309110481.db2.gz LSHFIRMKHSBTCK-GOSISDBHSA-N 2 2 334.460 3.412 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000414955721 309111364 /nfs/dbraw/zinc/11/13/64/309111364.db2.gz MQYYICHNJJEUTO-MRXNPFEDSA-N 2 2 328.456 3.362 20 0 EGADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000414973091 309112369 /nfs/dbraw/zinc/11/23/69/309112369.db2.gz BRJMFKSOTFTNKQ-NSHDSACASA-N 2 2 337.208 3.186 20 0 EGADLP CC[C@H]([NH3+])C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414988422 309113028 /nfs/dbraw/zinc/11/30/28/309113028.db2.gz ZXEZWWRYXMJILV-LBPRGKRZSA-N 2 2 340.290 3.400 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032835 309115404 /nfs/dbraw/zinc/11/54/04/309115404.db2.gz AYRMCSODUJKPQX-GJZGRUSLSA-N 2 2 347.532 3.187 20 0 EGADLP Cc1nn2c(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c(C(C)C)nc2s1 ZINC000415032835 309115405 /nfs/dbraw/zinc/11/54/05/309115405.db2.gz AYRMCSODUJKPQX-GJZGRUSLSA-N 2 2 347.532 3.187 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)sc2c1 ZINC000415039508 309115879 /nfs/dbraw/zinc/11/58/79/309115879.db2.gz IZHURWYHGSCZRN-XJKSGUPXSA-N 2 2 331.485 3.269 20 0 EGADLP COc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)sc2c1 ZINC000415039508 309115880 /nfs/dbraw/zinc/11/58/80/309115880.db2.gz IZHURWYHGSCZRN-XJKSGUPXSA-N 2 2 331.485 3.269 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)CC[NH3+])cc1 ZINC000415105076 309120748 /nfs/dbraw/zinc/12/07/48/309120748.db2.gz HSETWKCOSMJPDJ-UHFFFAOYSA-N 2 2 334.467 3.297 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)CC[NH3+])cc1 ZINC000415105076 309120749 /nfs/dbraw/zinc/12/07/49/309120749.db2.gz HSETWKCOSMJPDJ-UHFFFAOYSA-N 2 2 334.467 3.297 20 0 EGADLP C[C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@@H]1C[NH3+] ZINC000415186234 309125267 /nfs/dbraw/zinc/12/52/67/309125267.db2.gz NASWPRWXHDDOAC-KBXCAEBGSA-N 2 2 340.427 3.465 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415293672 309130128 /nfs/dbraw/zinc/13/01/28/309130128.db2.gz MOXCNNRGTNVSRN-KRWDZBQOSA-N 2 2 341.459 3.224 20 0 EGADLP CCn1c[nH+]cc1CNc1cccc(C[NH+]2CCSCC2)c1C ZINC000417818724 309223988 /nfs/dbraw/zinc/22/39/88/309223988.db2.gz BGIRWJKZUFRCON-UHFFFAOYSA-N 2 2 330.501 3.372 20 0 EGADLP CCn1cncc1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000417853992 309225251 /nfs/dbraw/zinc/22/52/51/309225251.db2.gz JEKLCACEHLFEOV-HXUWFJFHSA-N 2 2 326.488 3.076 20 0 EGADLP CCn1cncc1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000417853992 309225252 /nfs/dbraw/zinc/22/52/52/309225252.db2.gz JEKLCACEHLFEOV-HXUWFJFHSA-N 2 2 326.488 3.076 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c[nH+]1 ZINC000418263864 309241097 /nfs/dbraw/zinc/24/10/97/309241097.db2.gz LIDOYCFDUHNUFO-IBGZPJMESA-N 2 2 340.471 3.321 20 0 EGADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000419299311 309263817 /nfs/dbraw/zinc/26/38/17/309263817.db2.gz YIOBVEPTDIKFGL-GOSISDBHSA-N 2 2 347.890 3.052 20 0 EGADLP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)C2CC2)cc1 ZINC000420359654 309284142 /nfs/dbraw/zinc/28/41/42/309284142.db2.gz GHZIBZVUJGVPRO-FPOVZHCZSA-N 2 2 343.515 3.060 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420358667 309284153 /nfs/dbraw/zinc/28/41/53/309284153.db2.gz FSQPQJADNGFWQF-UIBIWLFHSA-N 2 2 331.504 3.422 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000420365212 309284318 /nfs/dbraw/zinc/28/43/18/309284318.db2.gz KZCRSUADSNRPQF-HSMVNMDESA-N 2 2 348.288 3.473 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1Cl ZINC000420366436 309284521 /nfs/dbraw/zinc/28/45/21/309284521.db2.gz UOTFJVWQPAKIBT-CXAGYDPISA-N 2 2 337.895 3.014 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420379751 309285213 /nfs/dbraw/zinc/28/52/13/309285213.db2.gz YBZAMYKQQKWNME-XHBSWPGZSA-N 2 2 348.288 3.473 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420385760 309285748 /nfs/dbraw/zinc/28/57/48/309285748.db2.gz FHHHQSNOBICMAM-YJBOKZPZSA-N 2 2 325.456 3.123 20 0 EGADLP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420385760 309285749 /nfs/dbraw/zinc/28/57/49/309285749.db2.gz FHHHQSNOBICMAM-YJBOKZPZSA-N 2 2 325.456 3.123 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000420392159 309285942 /nfs/dbraw/zinc/28/59/42/309285942.db2.gz UKFHABHXMQQIMD-VXGBXAGGSA-N 2 2 346.302 3.100 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000420392159 309285943 /nfs/dbraw/zinc/28/59/43/309285943.db2.gz UKFHABHXMQQIMD-VXGBXAGGSA-N 2 2 346.302 3.100 20 0 EGADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000420392157 309286016 /nfs/dbraw/zinc/28/60/16/309286016.db2.gz UKFHABHXMQQIMD-NWDGAFQWSA-N 2 2 346.302 3.100 20 0 EGADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000420392157 309286017 /nfs/dbraw/zinc/28/60/17/309286017.db2.gz UKFHABHXMQQIMD-NWDGAFQWSA-N 2 2 346.302 3.100 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)c1 ZINC000420399041 309286517 /nfs/dbraw/zinc/28/65/17/309286517.db2.gz HMIRRVUKWUJWJU-UKRRQHHQSA-N 2 2 331.485 3.235 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cs2)c1 ZINC000420399041 309286518 /nfs/dbraw/zinc/28/65/18/309286518.db2.gz HMIRRVUKWUJWJU-UKRRQHHQSA-N 2 2 331.485 3.235 20 0 EGADLP C[C@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000420409790 309286947 /nfs/dbraw/zinc/28/69/47/309286947.db2.gz QXGSODDVMYJFHO-KBPBESRZSA-N 2 2 349.475 3.278 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@@H]1C[NH3+] ZINC000420409790 309286948 /nfs/dbraw/zinc/28/69/48/309286948.db2.gz QXGSODDVMYJFHO-KBPBESRZSA-N 2 2 349.475 3.278 20 0 EGADLP c1ccc(C[C@H]2CC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420911883 309300605 /nfs/dbraw/zinc/30/06/05/309300605.db2.gz GRCGNZCSEKUSCR-JOCHJYFZSA-N 2 2 336.479 3.336 20 0 EGADLP c1ccc(C[C@H]2CC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420911883 309300606 /nfs/dbraw/zinc/30/06/06/309300606.db2.gz GRCGNZCSEKUSCR-JOCHJYFZSA-N 2 2 336.479 3.336 20 0 EGADLP CCCCOC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420918690 309300822 /nfs/dbraw/zinc/30/08/22/309300822.db2.gz XFHSBIUIDGMHMY-UHFFFAOYSA-N 2 2 346.515 3.300 20 0 EGADLP Brc1ccccc1C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000420970506 309304974 /nfs/dbraw/zinc/30/49/74/309304974.db2.gz ITEYTPYENHCXMB-OAHLLOKOSA-N 2 2 334.261 3.353 20 0 EGADLP Brc1ccccc1C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000420970506 309304975 /nfs/dbraw/zinc/30/49/75/309304975.db2.gz ITEYTPYENHCXMB-OAHLLOKOSA-N 2 2 334.261 3.353 20 0 EGADLP COCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000420967931 309305035 /nfs/dbraw/zinc/30/50/35/309305035.db2.gz UWJYOVQTJFDUFH-IBGZPJMESA-N 2 2 334.504 3.060 20 0 EGADLP COC1([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CCCCC1 ZINC000421838610 309342588 /nfs/dbraw/zinc/34/25/88/309342588.db2.gz VHDTVIBWJWNLRU-WMZOPIPTSA-N 2 2 346.519 3.372 20 0 EGADLP COC1([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCCCC1 ZINC000421838609 309342687 /nfs/dbraw/zinc/34/26/87/309342687.db2.gz VHDTVIBWJWNLRU-SJLPKXTDSA-N 2 2 346.519 3.372 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000421914941 309346348 /nfs/dbraw/zinc/34/63/48/309346348.db2.gz HMBYLJMJKAQPCJ-FQEVSTJZSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc(C)[nH+]1 ZINC000421914941 309346349 /nfs/dbraw/zinc/34/63/49/309346349.db2.gz HMBYLJMJKAQPCJ-FQEVSTJZSA-N 2 2 337.467 3.369 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422028213 309351889 /nfs/dbraw/zinc/35/18/89/309351889.db2.gz XNXYAOPIZYHTNJ-BWTSREIZSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422028213 309351890 /nfs/dbraw/zinc/35/18/90/309351890.db2.gz XNXYAOPIZYHTNJ-BWTSREIZSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422214582 309358170 /nfs/dbraw/zinc/35/81/70/309358170.db2.gz SUXKJGBOHSJOCE-OALUTQOASA-N 2 2 346.519 3.398 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422701575 309363839 /nfs/dbraw/zinc/36/38/39/309363839.db2.gz DICWNMSCZAYBRM-OXQOHEQNSA-N 2 2 325.456 3.281 20 0 EGADLP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000422716115 309364551 /nfs/dbraw/zinc/36/45/51/309364551.db2.gz MXLSACIIIDLFDH-FSPWUOQZSA-N 2 2 327.497 3.229 20 0 EGADLP C[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000422716115 309364552 /nfs/dbraw/zinc/36/45/52/309364552.db2.gz MXLSACIIIDLFDH-FSPWUOQZSA-N 2 2 327.497 3.229 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCSCc1cccc2ccccc21 ZINC000422760322 309367002 /nfs/dbraw/zinc/36/70/02/309367002.db2.gz LUNGUXDCMLORDP-QFBILLFUSA-N 2 2 344.524 3.430 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422779082 309367875 /nfs/dbraw/zinc/36/78/75/309367875.db2.gz ILMOJZIDDRFQDF-GXTWGEPZSA-N 2 2 347.286 3.119 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422805086 309369340 /nfs/dbraw/zinc/36/93/40/309369340.db2.gz GEYIVGHEKSTPQM-CZUORRHYSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000422838768 309371158 /nfs/dbraw/zinc/37/11/58/309371158.db2.gz XZMKFZWJSCZMBS-NYVOZVTQSA-N 2 2 337.511 3.199 20 0 EGADLP C[C@@H](NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422851943 309372032 /nfs/dbraw/zinc/37/20/32/309372032.db2.gz XNFUQYPKGMPTNF-KBRIMQKVSA-N 2 2 339.886 3.346 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000422879975 309373577 /nfs/dbraw/zinc/37/35/77/309373577.db2.gz WJLPKTQFHBZDEB-KEYYUXOJSA-N 2 2 336.451 3.032 20 0 EGADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000422879226 309373610 /nfs/dbraw/zinc/37/36/10/309373610.db2.gz LWYHSBJBZYAYGS-RISCZKNCSA-N 2 2 327.266 3.078 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](C)c1c(Cl)cccc1Cl ZINC000422885954 309374104 /nfs/dbraw/zinc/37/41/04/309374104.db2.gz ZREKWUVOVHUGJP-XQQFMLRXSA-N 2 2 331.287 3.454 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422921950 309376174 /nfs/dbraw/zinc/37/61/74/309376174.db2.gz RHYMYRUKEUZEEC-LRDDRELGSA-N 2 2 338.373 3.475 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422949683 309377602 /nfs/dbraw/zinc/37/76/02/309377602.db2.gz VVPVMHXXTXFAKM-KBPBESRZSA-N 2 2 327.266 3.207 20 0 EGADLP OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000422996491 309380015 /nfs/dbraw/zinc/38/00/15/309380015.db2.gz SVUMCMFVPCZBPP-QGTPRVQTSA-N 2 2 332.394 3.081 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(Cl)s1 ZINC000422999671 309380083 /nfs/dbraw/zinc/38/00/83/309380083.db2.gz YECORSQYLUYXTL-IJLUTSLNSA-N 2 2 335.300 3.302 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423003677 309380313 /nfs/dbraw/zinc/38/03/13/309380313.db2.gz MWSOBPGLNGHYGT-XJKSGUPXSA-N 2 2 330.394 3.386 20 0 EGADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423024399 309381507 /nfs/dbraw/zinc/38/15/07/309381507.db2.gz LTSMKEHRLPXFQC-DCGLDWPTSA-N 2 2 325.859 3.178 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423059046 309383740 /nfs/dbraw/zinc/38/37/40/309383740.db2.gz KTWWGYIPCUDRBU-XJKCOSOUSA-N 2 2 330.394 3.166 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116548 309386815 /nfs/dbraw/zinc/38/68/15/309386815.db2.gz QJJVYCCIDLDCGV-JIRNRHONSA-N 3 2 327.516 3.160 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423116548 309386816 /nfs/dbraw/zinc/38/68/16/309386816.db2.gz QJJVYCCIDLDCGV-JIRNRHONSA-N 3 2 327.516 3.160 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423211843 309390586 /nfs/dbraw/zinc/39/05/86/309390586.db2.gz HKPIPHJQKPPLBB-KCQAQPDRSA-N 2 2 347.894 3.268 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232573 309391609 /nfs/dbraw/zinc/39/16/09/309391609.db2.gz INUXZTMXUMSNPS-WOZUAGRISA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423232573 309391610 /nfs/dbraw/zinc/39/16/10/309391610.db2.gz INUXZTMXUMSNPS-WOZUAGRISA-N 3 2 327.516 3.019 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300610 309394531 /nfs/dbraw/zinc/39/45/31/309394531.db2.gz SAUXCFGSCDGXDK-JSXRDJHFSA-N 3 2 329.532 3.394 20 0 EGADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423300610 309394532 /nfs/dbraw/zinc/39/45/32/309394532.db2.gz SAUXCFGSCDGXDK-JSXRDJHFSA-N 3 2 329.532 3.394 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423319258 309395048 /nfs/dbraw/zinc/39/50/48/309395048.db2.gz ZTSSBAZDXOMMGZ-HNNXBMFYSA-N 2 2 338.517 3.053 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3cscn3)cc2)CC1 ZINC000423340042 309395975 /nfs/dbraw/zinc/39/59/75/309395975.db2.gz SMZDQHPQWLDSRA-KRWDZBQOSA-N 2 2 344.484 3.014 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)c1 ZINC000423342879 309396210 /nfs/dbraw/zinc/39/62/10/309396210.db2.gz ZDXISXOSWHZDPE-KRWDZBQOSA-N 2 2 326.444 3.323 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000423343995 309396258 /nfs/dbraw/zinc/39/62/58/309396258.db2.gz WOSGOUJNLAPLMY-CYBMUJFWSA-N 2 2 349.500 3.014 20 0 EGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423366461 309397281 /nfs/dbraw/zinc/39/72/81/309397281.db2.gz LPJWPQPAJMNVSO-IIDMSEBBSA-N 2 2 326.431 3.205 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423383488 309397996 /nfs/dbraw/zinc/39/79/96/309397996.db2.gz JLEXIVFUUQZRTE-LPHOPBHVSA-N 3 2 333.520 3.056 20 0 EGADLP CC(C)(C(=O)NCCCCNc1cccc[nH+]1)[C@@H]([NH3+])c1ccccc1 ZINC000423401264 309398724 /nfs/dbraw/zinc/39/87/24/309398724.db2.gz QQTTYBYSIPTMTD-SFHVURJKSA-N 2 2 340.471 3.116 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CCC[NH2+]1 ZINC000423413223 309399037 /nfs/dbraw/zinc/39/90/37/309399037.db2.gz JULPRMNMIJJFGS-FUHWJXTLSA-N 2 2 338.879 3.220 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(OC(F)F)cc1 ZINC000423415911 309399322 /nfs/dbraw/zinc/39/93/22/309399322.db2.gz FFXQRQWHYCKRKX-WBVHZDCISA-N 2 2 328.403 3.097 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CCC[NH2+]1 ZINC000423420428 309399745 /nfs/dbraw/zinc/39/97/45/309399745.db2.gz WZDRNCLQZNGIPU-FZMZJTMJSA-N 2 2 347.322 3.238 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423424987 309399853 /nfs/dbraw/zinc/39/98/53/309399853.db2.gz MBXWIFKNOIVCMY-RTBURBONSA-N 2 2 338.451 3.168 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CCC[NH2+]1 ZINC000423426695 309399873 /nfs/dbraw/zinc/39/98/73/309399873.db2.gz NJDASBMPFVGZEV-YVEFUNNKSA-N 2 2 325.522 3.168 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1OCc1ccccc1 ZINC000423515991 309404215 /nfs/dbraw/zinc/40/42/15/309404215.db2.gz NHTWZOUTXGGNBU-HKUYNNGSSA-N 2 2 340.467 3.295 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423881287 309418288 /nfs/dbraw/zinc/41/82/88/309418288.db2.gz SKFCXOXDKATSAD-OAHLLOKOSA-N 2 2 328.460 3.018 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000427863369 309537303 /nfs/dbraw/zinc/53/73/03/309537303.db2.gz YOLPHOUHYGTFSE-GUYCJALGSA-N 2 2 326.400 3.032 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000427894661 309537687 /nfs/dbraw/zinc/53/76/87/309537687.db2.gz RBAYXDXJGHITSM-AAEUAGOBSA-N 2 2 325.334 3.447 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+](C3CCC3)C3CCC3)c2cc1C ZINC000429128996 309571652 /nfs/dbraw/zinc/57/16/52/309571652.db2.gz CTWOUHAXXUOVGX-GOSISDBHSA-N 2 2 327.472 3.421 20 0 EGADLP CC[NH2+]CC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000430563252 309610989 /nfs/dbraw/zinc/61/09/89/309610989.db2.gz VAJLRDYYABGFSR-UHFFFAOYSA-N 2 2 341.286 3.463 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000430595497 309612374 /nfs/dbraw/zinc/61/23/74/309612374.db2.gz MLTJNOMCHZPZSR-FQEVSTJZSA-N 2 2 339.439 3.134 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CCSC)c1 ZINC000430805527 309618209 /nfs/dbraw/zinc/61/82/09/309618209.db2.gz JPAPRCAVMGQYLK-MRXNPFEDSA-N 2 2 346.500 3.369 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)[nH+]1 ZINC000436494837 309757253 /nfs/dbraw/zinc/75/72/53/309757253.db2.gz OHFVFVZZPMFIPT-HNNXBMFYSA-N 2 2 332.473 3.493 20 0 EGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000446752607 309967554 /nfs/dbraw/zinc/96/75/54/309967554.db2.gz HZXHEWQJJLUGKJ-SFHLNBCPSA-N 2 2 348.531 3.317 20 0 EGADLP CCCC[C@@H](CC)C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000448210825 310000349 /nfs/dbraw/zinc/00/03/49/310000349.db2.gz ACKFDUBUOCBSFQ-SJORKVTESA-N 2 2 346.519 3.107 20 0 EGADLP C[C@H](C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018159 310029432 /nfs/dbraw/zinc/02/94/32/310029432.db2.gz ROJKWRVBUVBNHH-CABCVRRESA-N 2 2 338.442 3.253 20 0 EGADLP C[C@H](C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018159 310029433 /nfs/dbraw/zinc/02/94/33/310029433.db2.gz ROJKWRVBUVBNHH-CABCVRRESA-N 2 2 338.442 3.253 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H]([NH3+])c1ccccc1C)c1ccccc1 ZINC000449069815 310034485 /nfs/dbraw/zinc/03/44/85/310034485.db2.gz ILJFHFINCPDORQ-LJQANCHMSA-N 2 2 325.456 3.028 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])c1ccccc1C)c1ccccc1 ZINC000449069815 310034486 /nfs/dbraw/zinc/03/44/86/310034486.db2.gz ILJFHFINCPDORQ-LJQANCHMSA-N 2 2 325.456 3.028 20 0 EGADLP COc1ccc(-n2cc(C[NH2+]C3CC[NH+](CC(C)C)CC3)cn2)cc1 ZINC000449074582 310034966 /nfs/dbraw/zinc/03/49/66/310034966.db2.gz PVULOWVOFFTXGG-UHFFFAOYSA-N 2 2 342.487 3.091 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449094230 310036665 /nfs/dbraw/zinc/03/66/65/310036665.db2.gz RERPYIVLNRPDPF-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2Br)C1 ZINC000449094230 310036664 /nfs/dbraw/zinc/03/66/64/310036664.db2.gz RERPYIVLNRPDPF-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP COc1cc2ccccc2cc1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449128870 310039031 /nfs/dbraw/zinc/03/90/31/310039031.db2.gz YTWSSGKIVFJOFY-FQEVSTJZSA-N 2 2 342.483 3.031 20 0 EGADLP Fc1cnccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449323498 310053332 /nfs/dbraw/zinc/05/33/32/310053332.db2.gz VRINUHHFQIJIBS-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cnccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000449323498 310053333 /nfs/dbraw/zinc/05/33/33/310053333.db2.gz VRINUHHFQIJIBS-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cnccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000449323498 310053334 /nfs/dbraw/zinc/05/33/34/310053334.db2.gz VRINUHHFQIJIBS-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1cnccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449323498 310053335 /nfs/dbraw/zinc/05/33/35/310053335.db2.gz VRINUHHFQIJIBS-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334441 310054434 /nfs/dbraw/zinc/05/44/34/310054434.db2.gz XJRGUTOXHXJMFY-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334441 310054435 /nfs/dbraw/zinc/05/44/35/310054435.db2.gz XJRGUTOXHXJMFY-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334441 310054436 /nfs/dbraw/zinc/05/44/36/310054436.db2.gz XJRGUTOXHXJMFY-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334441 310054437 /nfs/dbraw/zinc/05/44/37/310054437.db2.gz XJRGUTOXHXJMFY-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398457 310058752 /nfs/dbraw/zinc/05/87/52/310058752.db2.gz VASMOQNOPQXHCL-LMPOIIKSSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CCC(C(F)(F)F)CC1 ZINC000449398457 310058753 /nfs/dbraw/zinc/05/87/53/310058753.db2.gz VASMOQNOPQXHCL-LMPOIIKSSA-N 2 2 336.442 3.180 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ccc(Cl)c(F)c2)s1 ZINC000449485956 310065916 /nfs/dbraw/zinc/06/59/16/310065916.db2.gz PKLXPPTXNCRVAE-UHFFFAOYSA-N 2 2 343.855 3.166 20 0 EGADLP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000449506229 310067696 /nfs/dbraw/zinc/06/76/96/310067696.db2.gz CCFXNIYPCOPWKV-HOTGVXAUSA-N 2 2 338.458 3.282 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2nccn21 ZINC000449571508 310072795 /nfs/dbraw/zinc/07/27/95/310072795.db2.gz LTWRQCAWNAGILM-DNVCBOLYSA-N 2 2 342.462 3.325 20 0 EGADLP COC(=O)[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1c1ccccc1 ZINC000449757421 310084825 /nfs/dbraw/zinc/08/48/25/310084825.db2.gz RNOQBAQRMBKXEV-WOJBJXKFSA-N 2 2 338.451 3.211 20 0 EGADLP COC(=O)[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@@H]1c1ccccc1 ZINC000449757421 310084826 /nfs/dbraw/zinc/08/48/26/310084826.db2.gz RNOQBAQRMBKXEV-WOJBJXKFSA-N 2 2 338.451 3.211 20 0 EGADLP COc1cc(F)cc(C[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000449784834 310087321 /nfs/dbraw/zinc/08/73/21/310087321.db2.gz YORRMECJVBNVEV-OAHLLOKOSA-N 2 2 343.446 3.419 20 0 EGADLP COc1cccc2c1cc[nH+]c2N1CCC(OCCC[NH+](C)C)CC1 ZINC000450369904 310118402 /nfs/dbraw/zinc/11/84/02/310118402.db2.gz TUJTZLXXSKFIPD-UHFFFAOYSA-N 2 2 343.471 3.181 20 0 EGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450532707 310128520 /nfs/dbraw/zinc/12/85/20/310128520.db2.gz XRANEAXGUWRUJU-QWHCGFSZSA-N 2 2 349.837 3.327 20 0 EGADLP COc1cccc2c1cc[nH+]c2NCC1(SC)CC[NH+](C)CC1 ZINC000450531300 310128605 /nfs/dbraw/zinc/12/86/05/310128605.db2.gz HOYYVMPHCLMVDA-UHFFFAOYSA-N 2 2 331.485 3.483 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418223 310177188 /nfs/dbraw/zinc/17/71/88/310177188.db2.gz IXGZNBBGKYLHNG-VAMGGRTRSA-N 2 2 325.456 3.306 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418223 310177189 /nfs/dbraw/zinc/17/71/89/310177189.db2.gz IXGZNBBGKYLHNG-VAMGGRTRSA-N 2 2 325.456 3.306 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccncc1 ZINC000453132869 310260125 /nfs/dbraw/zinc/26/01/25/310260125.db2.gz UOFZDNPCFQYPRL-QHAWAJNXSA-N 2 2 339.483 3.005 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccncc1 ZINC000453132869 310260126 /nfs/dbraw/zinc/26/01/26/310260126.db2.gz UOFZDNPCFQYPRL-QHAWAJNXSA-N 2 2 339.483 3.005 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCS2 ZINC000453257963 310267147 /nfs/dbraw/zinc/26/71/47/310267147.db2.gz HIVPXQOHKFMZRG-WMZOPIPTSA-N 2 2 334.529 3.277 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCS2 ZINC000453257963 310267148 /nfs/dbraw/zinc/26/71/48/310267148.db2.gz HIVPXQOHKFMZRG-WMZOPIPTSA-N 2 2 334.529 3.277 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+]3CCCO)ccc2c1 ZINC000453264763 310267955 /nfs/dbraw/zinc/26/79/55/310267955.db2.gz VXOFOULJFALIOV-JXFKEZNVSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+]3CCCO)ccc2c1 ZINC000453264763 310267956 /nfs/dbraw/zinc/26/79/56/310267956.db2.gz VXOFOULJFALIOV-JXFKEZNVSA-N 2 2 342.483 3.346 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281384 310269090 /nfs/dbraw/zinc/26/90/90/310269090.db2.gz CTNCRFCTWXQUKS-PKOBYXMFSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281384 310269091 /nfs/dbraw/zinc/26/90/91/310269091.db2.gz CTNCRFCTWXQUKS-PKOBYXMFSA-N 2 2 338.499 3.254 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000454325000 310303649 /nfs/dbraw/zinc/30/36/49/310303649.db2.gz NCNOCWPFOQQCQH-ZACQAIPSSA-N 2 2 349.523 3.021 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(C)[nH+]1 ZINC000455499149 310364050 /nfs/dbraw/zinc/36/40/50/310364050.db2.gz RYIVQYGOFLUDBV-KRWDZBQOSA-N 2 2 330.476 3.393 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(C)[nH+]1 ZINC000455499149 310364051 /nfs/dbraw/zinc/36/40/51/310364051.db2.gz RYIVQYGOFLUDBV-KRWDZBQOSA-N 2 2 330.476 3.393 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000459042974 310531496 /nfs/dbraw/zinc/53/14/96/310531496.db2.gz COTLUUQAYGCWIP-QGZVFWFLSA-N 2 2 349.523 3.262 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](CC4CCOCC4)CC3)[nH+]c2c1 ZINC000460958542 310587251 /nfs/dbraw/zinc/58/72/51/310587251.db2.gz NDVFKZTWGHPNQB-UHFFFAOYSA-N 2 2 339.483 3.400 20 0 EGADLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000481976644 310924296 /nfs/dbraw/zinc/92/42/96/310924296.db2.gz VSRABQDRXIKXCO-INIZCTEOSA-N 2 2 341.503 3.491 20 0 EGADLP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000486974453 311005109 /nfs/dbraw/zinc/00/51/09/311005109.db2.gz WZVBVWKTHSRCHF-KXBFYZLASA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000486974453 311005110 /nfs/dbraw/zinc/00/51/10/311005110.db2.gz WZVBVWKTHSRCHF-KXBFYZLASA-N 2 2 336.483 3.407 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CS1 ZINC000488443798 311065789 /nfs/dbraw/zinc/06/57/89/311065789.db2.gz BZVCSVLOQNQCGU-MSOLQXFVSA-N 2 2 340.577 3.389 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000492751680 311287059 /nfs/dbraw/zinc/28/70/59/311287059.db2.gz YUAMLAJNGWROJG-NVXWUHKLSA-N 2 2 349.519 3.159 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000492751680 311287060 /nfs/dbraw/zinc/28/70/60/311287060.db2.gz YUAMLAJNGWROJG-NVXWUHKLSA-N 2 2 349.519 3.159 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000493188169 311339785 /nfs/dbraw/zinc/33/97/85/311339785.db2.gz JYNLUYCNQPJKTM-HJWRWDBZSA-N 2 2 338.455 3.193 20 0 EGADLP Cn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(-c2ccccc2Cl)n1 ZINC000494407906 311475870 /nfs/dbraw/zinc/47/58/70/311475870.db2.gz VSRYTEXWUBGEPY-CQSZACIVSA-N 2 2 341.846 3.042 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000496572675 311732269 /nfs/dbraw/zinc/73/22/69/311732269.db2.gz QYUKEEMUGFFZPB-IAGOWNOFSA-N 2 2 345.487 3.381 20 0 EGADLP CCCC[N@@H+](C)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000513495185 312211686 /nfs/dbraw/zinc/21/16/86/312211686.db2.gz MKCQRRIUDVQLPI-UHFFFAOYSA-N 2 2 327.428 3.336 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514073 312212339 /nfs/dbraw/zinc/21/23/39/312212339.db2.gz VXSZILKGGHJJGJ-FMWKFLBASA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000513514073 312212341 /nfs/dbraw/zinc/21/23/41/312212341.db2.gz VXSZILKGGHJJGJ-FMWKFLBASA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000513514073 312212342 /nfs/dbraw/zinc/21/23/42/312212342.db2.gz VXSZILKGGHJJGJ-FMWKFLBASA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000513514073 312212344 /nfs/dbraw/zinc/21/23/44/312212344.db2.gz VXSZILKGGHJJGJ-FMWKFLBASA-N 3 2 329.532 3.217 20 0 EGADLP COc1cc[nH+]c(N2CCN(c3[nH+]ccc4ccc(C)cc43)CC2)c1 ZINC000514934619 312255166 /nfs/dbraw/zinc/25/51/66/312255166.db2.gz VCEXQGFVZASTNU-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)n1C ZINC000515339708 312277404 /nfs/dbraw/zinc/27/74/04/312277404.db2.gz REPZFXUNYMISIS-GFCCVEGCSA-N 2 2 339.270 3.404 20 0 EGADLP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000515863278 312301128 /nfs/dbraw/zinc/30/11/28/312301128.db2.gz UHLQAFRLUXJFLM-QGZVFWFLSA-N 2 2 349.482 3.112 20 0 EGADLP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000515863278 312301130 /nfs/dbraw/zinc/30/11/30/312301130.db2.gz UHLQAFRLUXJFLM-QGZVFWFLSA-N 2 2 349.482 3.112 20 0 EGADLP FC1(F)CCCC[C@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000516854419 312345657 /nfs/dbraw/zinc/34/56/57/312345657.db2.gz DCSFRAORGCSWET-LBPRGKRZSA-N 2 2 344.369 3.448 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000087788062 454088839 /nfs/dbraw/zinc/08/88/39/454088839.db2.gz HSXVTGXTFJGWGM-CYBMUJFWSA-N 2 2 341.293 3.278 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000087788062 454088841 /nfs/dbraw/zinc/08/88/41/454088841.db2.gz HSXVTGXTFJGWGM-CYBMUJFWSA-N 2 2 341.293 3.278 20 0 EGADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(Cl)c(F)c1 ZINC000528393536 313081905 /nfs/dbraw/zinc/08/19/05/313081905.db2.gz GJCNMUCQNJTZEP-UHFFFAOYSA-N 2 2 336.798 3.020 20 0 EGADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1F ZINC000532497641 313806722 /nfs/dbraw/zinc/80/67/22/313806722.db2.gz BWYRNVRCXZQPMC-UWJYYQICSA-N 2 2 341.474 3.465 20 0 EGADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NC1CCCCCC1 ZINC000542131802 314519708 /nfs/dbraw/zinc/51/97/08/314519708.db2.gz WFOPJHFDUMQYND-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP CC[C@H](COC)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936790 454351734 /nfs/dbraw/zinc/35/17/34/454351734.db2.gz GIUNQLDHFWJQJY-CKEIUWERSA-N 2 2 328.859 3.487 20 0 EGADLP CC[C@H](COC)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936790 454351736 /nfs/dbraw/zinc/35/17/36/454351736.db2.gz GIUNQLDHFWJQJY-CKEIUWERSA-N 2 2 328.859 3.487 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ncc(Br)cc1F ZINC000547978013 314956933 /nfs/dbraw/zinc/95/69/33/314956933.db2.gz DTAHTUHJSLBHCA-LLVKDONJSA-N 2 2 341.228 3.311 20 0 EGADLP CC[C@H]1CC[C@@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000554349141 315312057 /nfs/dbraw/zinc/31/20/57/315312057.db2.gz JYRJQYWSHRRGAQ-SFTDATJTSA-N 2 2 329.532 3.363 20 0 EGADLP CC(C)C1CCC(C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000554855838 315352879 /nfs/dbraw/zinc/35/28/79/315352879.db2.gz YAALOBXUGWXONM-WCHWRFHJSA-N 2 2 335.580 3.407 20 0 EGADLP CC(C)C1CCC(C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000554855838 315352882 /nfs/dbraw/zinc/35/28/82/315352882.db2.gz YAALOBXUGWXONM-WCHWRFHJSA-N 2 2 335.580 3.407 20 0 EGADLP C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000563354237 316004692 /nfs/dbraw/zinc/00/46/92/316004692.db2.gz IBKDUFDLGMTQGJ-HNNXBMFYSA-N 2 2 348.441 3.010 20 0 EGADLP C[C@]1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CCC[NH2+]C1 ZINC000563429732 316020237 /nfs/dbraw/zinc/02/02/37/316020237.db2.gz WZOHUYXAMBXJIO-SFHVURJKSA-N 2 2 345.468 3.018 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]1 ZINC000563453738 316024419 /nfs/dbraw/zinc/02/44/19/316024419.db2.gz RULRPJUDQCVFIR-ZFWWWQNUSA-N 2 2 326.400 3.136 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108759 /nfs/dbraw/zinc/10/87/59/316108759.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108763 /nfs/dbraw/zinc/10/87/63/316108763.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108766 /nfs/dbraw/zinc/10/87/66/316108766.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000564070206 316108769 /nfs/dbraw/zinc/10/87/69/316108769.db2.gz PXIMPWUNAQFMQT-AYWYSENESA-N 3 2 329.532 3.215 20 0 EGADLP CS[C@@H](C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000564792617 316206482 /nfs/dbraw/zinc/20/64/82/316206482.db2.gz OISAKEVZJSAYFL-QAPCUYQASA-N 2 2 349.544 3.381 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)c(OC)c1 ZINC000565958692 316394749 /nfs/dbraw/zinc/39/47/49/316394749.db2.gz CWSQNLBTGIZZDH-STQMWFEESA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)c(OC)c1 ZINC000565958692 316394753 /nfs/dbraw/zinc/39/47/53/316394753.db2.gz CWSQNLBTGIZZDH-STQMWFEESA-N 2 2 347.484 3.139 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC000568373773 316766680 /nfs/dbraw/zinc/76/66/80/316766680.db2.gz GNJWYYSORNWRQC-CZUORRHYSA-N 2 2 344.286 3.107 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000568740604 316816153 /nfs/dbraw/zinc/81/61/53/316816153.db2.gz MUJIDMGNHGOFJU-CGTJXYLNSA-N 2 2 339.487 3.148 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000569159852 316873184 /nfs/dbraw/zinc/87/31/84/316873184.db2.gz MSGDEHPOYMYBNG-UHFFFAOYSA-N 2 2 343.402 3.084 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000569622447 316940162 /nfs/dbraw/zinc/94/01/62/316940162.db2.gz IWFYIHAFBUYIHI-HOTGVXAUSA-N 2 2 335.467 3.253 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781703 317106796 /nfs/dbraw/zinc/10/67/96/317106796.db2.gz JCTZVTGOGANMIF-MJGOQNOKSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781703 317106798 /nfs/dbraw/zinc/10/67/98/317106798.db2.gz JCTZVTGOGANMIF-MJGOQNOKSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000571073228 317147302 /nfs/dbraw/zinc/14/73/02/317147302.db2.gz IRTWWIFANIDFMA-CJNGLKHVSA-N 2 2 331.439 3.011 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)Nc2ccn3cc[nH+]c3c2)[NH+](C)C)cc1 ZINC000571484488 317204606 /nfs/dbraw/zinc/20/46/06/317204606.db2.gz HSTDNSJSHHPBKD-QGZVFWFLSA-N 2 2 337.427 3.067 20 0 EGADLP COc1cccc2c(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)cc[nH+]c12 ZINC000571981651 317273890 /nfs/dbraw/zinc/27/38/90/317273890.db2.gz CRQOKBIDYLEOON-MSOLQXFVSA-N 2 2 341.455 3.299 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000572566361 317356988 /nfs/dbraw/zinc/35/69/88/317356988.db2.gz GLECFIQZSOEUKK-MAUKXSAKSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000572566361 317356990 /nfs/dbraw/zinc/35/69/90/317356990.db2.gz GLECFIQZSOEUKK-MAUKXSAKSA-N 2 2 349.438 3.119 20 0 EGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2c[nH]c3nccnc23)c(C)c1 ZINC000573258845 317459285 /nfs/dbraw/zinc/45/92/85/317459285.db2.gz VEQGNOTXHFTAAJ-SFHVURJKSA-N 2 2 346.438 3.254 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000179237336 323375411 /nfs/dbraw/zinc/37/54/11/323375411.db2.gz VRBVDUUPGDBEHE-DCAQKATOSA-N 2 2 332.311 3.429 20 0 EGADLP c1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc2ccccn12 ZINC000388522595 324275784 /nfs/dbraw/zinc/27/57/84/324275784.db2.gz UBYILOPVRKAFEK-VQTJNVASSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)nc2ccccn12 ZINC000388522595 324275788 /nfs/dbraw/zinc/27/57/88/324275788.db2.gz UBYILOPVRKAFEK-VQTJNVASSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccn12 ZINC000388522595 324275792 /nfs/dbraw/zinc/27/57/92/324275792.db2.gz UBYILOPVRKAFEK-VQTJNVASSA-N 2 2 346.478 3.288 20 0 EGADLP c1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccn12 ZINC000388522595 324275797 /nfs/dbraw/zinc/27/57/97/324275797.db2.gz UBYILOPVRKAFEK-VQTJNVASSA-N 2 2 346.478 3.288 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130892 324288307 /nfs/dbraw/zinc/28/83/07/324288307.db2.gz GHPXGJVMDMQSDH-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130892 324288311 /nfs/dbraw/zinc/28/83/11/324288311.db2.gz GHPXGJVMDMQSDH-HUUCEWRRSA-N 2 2 340.414 3.403 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1Br)C2 ZINC000311546030 456589902 /nfs/dbraw/zinc/58/99/02/456589902.db2.gz HWWRCBPVWNDXKG-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1Br)C2 ZINC000311546030 456589908 /nfs/dbraw/zinc/58/99/08/456589908.db2.gz HWWRCBPVWNDXKG-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2)c1C ZINC000577014324 324725488 /nfs/dbraw/zinc/72/54/88/324725488.db2.gz YXNWFJWFYVPUHM-KBPBESRZSA-N 2 2 326.444 3.300 20 0 EGADLP C[C@@H](c1ccccc1Br)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577960659 324895037 /nfs/dbraw/zinc/89/50/37/324895037.db2.gz QCFHRISHXCGGKO-LBPRGKRZSA-N 2 2 335.249 3.055 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@H]1CCC[NH2+]1 ZINC000580311621 325233277 /nfs/dbraw/zinc/23/32/77/325233277.db2.gz SSEPQYFCLZRXJM-AUUYWEPGSA-N 2 2 341.430 3.308 20 0 EGADLP Cc1c[nH+]ccc1CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000581723652 325386155 /nfs/dbraw/zinc/38/61/55/325386155.db2.gz OMUMFZUZDHAYHI-FUHWJXTLSA-N 2 2 328.481 3.433 20 0 EGADLP Cc1c[nH+]ccc1CC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000581723652 325386157 /nfs/dbraw/zinc/38/61/57/325386157.db2.gz OMUMFZUZDHAYHI-FUHWJXTLSA-N 2 2 328.481 3.433 20 0 EGADLP COCc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000583845080 325555538 /nfs/dbraw/zinc/55/55/38/325555538.db2.gz VCXKJMHDRNODTH-CYBMUJFWSA-N 2 2 333.451 3.330 20 0 EGADLP CCCCNC(=O)C1([NH2+]Cc2cccc3[nH+]ccn32)CCCCC1 ZINC000189585130 455220360 /nfs/dbraw/zinc/22/03/60/455220360.db2.gz ZKAVAKIEWBTWEZ-UHFFFAOYSA-N 2 2 328.460 3.043 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[C@@H]([NH3+])C4)cc3)[nH+]c12 ZINC000237859465 455227263 /nfs/dbraw/zinc/22/72/63/455227263.db2.gz NZCMSTSQZXJMEB-JKSUJKDBSA-N 2 2 334.423 3.376 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@H](c3ccccc3)[NH+]3CCCC3)cc12 ZINC000237890301 455229503 /nfs/dbraw/zinc/22/95/03/455229503.db2.gz IIJUIJUCWGYUNI-HXUWFJFHSA-N 2 2 349.482 3.203 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000183125018 455234107 /nfs/dbraw/zinc/23/41/07/455234107.db2.gz SFPINVGBBLVFFH-NJYVYQBISA-N 3 2 338.499 3.164 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000183125018 455234114 /nfs/dbraw/zinc/23/41/14/455234114.db2.gz SFPINVGBBLVFFH-NJYVYQBISA-N 3 2 338.499 3.164 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550268 458407779 /nfs/dbraw/zinc/40/77/79/458407779.db2.gz HQNOWEVXIFDIIG-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(O)c2Br)C1 ZINC000459550268 458407785 /nfs/dbraw/zinc/40/77/85/458407785.db2.gz HQNOWEVXIFDIIG-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550268 458407789 /nfs/dbraw/zinc/40/77/89/458407789.db2.gz HQNOWEVXIFDIIG-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000459550268 458407794 /nfs/dbraw/zinc/40/77/94/458407794.db2.gz HQNOWEVXIFDIIG-TZMCWYRMSA-N 2 2 339.277 3.071 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000183262931 455264627 /nfs/dbraw/zinc/26/46/27/455264627.db2.gz VNFORPRAHYPQDY-QAPCUYQASA-N 2 2 344.528 3.435 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181083498 455285350 /nfs/dbraw/zinc/28/53/50/455285350.db2.gz NTQAAEOUCCGPKS-INIZCTEOSA-N 2 2 342.487 3.357 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181083498 455285353 /nfs/dbraw/zinc/28/53/53/455285353.db2.gz NTQAAEOUCCGPKS-INIZCTEOSA-N 2 2 342.487 3.357 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000631827125 460575202 /nfs/dbraw/zinc/57/52/02/460575202.db2.gz GASAUUXHKAMENJ-LPHOPBHVSA-N 2 2 341.455 3.314 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)c1 ZINC000631827125 460575207 /nfs/dbraw/zinc/57/52/07/460575207.db2.gz GASAUUXHKAMENJ-LPHOPBHVSA-N 2 2 341.455 3.314 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1F ZINC000158909220 455336564 /nfs/dbraw/zinc/33/65/64/455336564.db2.gz KWQRGRLCGZGYFQ-ZBFHGGJFSA-N 2 2 340.508 3.291 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245717522 455363208 /nfs/dbraw/zinc/36/32/08/455363208.db2.gz UGTXIZRSHYNQMF-LNLFQRSKSA-N 2 2 340.471 3.410 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245717522 455363212 /nfs/dbraw/zinc/36/32/12/455363212.db2.gz UGTXIZRSHYNQMF-LNLFQRSKSA-N 2 2 340.471 3.410 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567694 453888630 /nfs/dbraw/zinc/88/86/30/453888630.db2.gz SKNBKSWDQFLWIM-RBUKOAKNSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567694 453888636 /nfs/dbraw/zinc/88/86/36/453888636.db2.gz SKNBKSWDQFLWIM-RBUKOAKNSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567694 453888637 /nfs/dbraw/zinc/88/86/37/453888637.db2.gz SKNBKSWDQFLWIM-RBUKOAKNSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000081567694 453888642 /nfs/dbraw/zinc/88/86/42/453888642.db2.gz SKNBKSWDQFLWIM-RBUKOAKNSA-N 2 2 345.531 3.144 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569745 453888656 /nfs/dbraw/zinc/88/86/56/453888656.db2.gz VQVPYHBRFDSIOS-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569745 453888657 /nfs/dbraw/zinc/88/86/57/453888657.db2.gz VQVPYHBRFDSIOS-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569745 453888660 /nfs/dbraw/zinc/88/86/60/453888660.db2.gz VQVPYHBRFDSIOS-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569745 453888664 /nfs/dbraw/zinc/88/86/64/453888664.db2.gz VQVPYHBRFDSIOS-IRXDYDNUSA-N 2 2 349.494 3.009 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081630703 453898113 /nfs/dbraw/zinc/89/81/13/453898113.db2.gz PAQPROYINHMTCQ-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081630703 453898115 /nfs/dbraw/zinc/89/81/15/453898115.db2.gz PAQPROYINHMTCQ-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081630703 453898117 /nfs/dbraw/zinc/89/81/17/453898117.db2.gz PAQPROYINHMTCQ-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081630703 453898119 /nfs/dbraw/zinc/89/81/19/453898119.db2.gz PAQPROYINHMTCQ-GOEBONIOSA-N 2 2 349.906 3.331 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076002942 453947488 /nfs/dbraw/zinc/94/74/88/453947488.db2.gz HNMHATSFPOCASC-ROUUACIJSA-N 2 2 331.504 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076002942 453947491 /nfs/dbraw/zinc/94/74/91/453947491.db2.gz HNMHATSFPOCASC-ROUUACIJSA-N 2 2 331.504 3.092 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)cc2)c[nH+]1 ZINC000083405713 453947694 /nfs/dbraw/zinc/94/76/94/453947694.db2.gz KALAZFRCIINZFS-HXUWFJFHSA-N 2 2 341.455 3.032 20 0 EGADLP C[N@H+](CCOc1cccc(CNc2cccc[nH+]2)c1)C1CCOCC1 ZINC000076290736 453986506 /nfs/dbraw/zinc/98/65/06/453986506.db2.gz RGXJEQCYJJDWGM-UHFFFAOYSA-N 2 2 341.455 3.183 20 0 EGADLP C[N@@H+](CCOc1cccc(CNc2cccc[nH+]2)c1)C1CCOCC1 ZINC000076290736 453986511 /nfs/dbraw/zinc/98/65/11/453986511.db2.gz RGXJEQCYJJDWGM-UHFFFAOYSA-N 2 2 341.455 3.183 20 0 EGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2[nH+]ccn2c1 ZINC000068386692 454022569 /nfs/dbraw/zinc/02/25/69/454022569.db2.gz FMDHEEHPNPBTQN-UHFFFAOYSA-N 2 2 348.450 3.250 20 0 EGADLP CCc1cc(NCC[N@H+](C)C2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000068701849 454045972 /nfs/dbraw/zinc/04/59/72/454045972.db2.gz DSYHMXQRDJSFMD-UHFFFAOYSA-N 2 2 325.460 3.387 20 0 EGADLP CCc1cc(NCC[N@@H+](C)C2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000068701849 454045975 /nfs/dbraw/zinc/04/59/75/454045975.db2.gz DSYHMXQRDJSFMD-UHFFFAOYSA-N 2 2 325.460 3.387 20 0 EGADLP C[C@H]([NH2+]C(C)(C)CNc1cc(-n2cc[nH+]c2)ncn1)c1ccccc1 ZINC000077217154 454077172 /nfs/dbraw/zinc/07/71/72/454077172.db2.gz ASAYXWGLHDASNJ-HNNXBMFYSA-N 2 2 336.443 3.204 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353319 454097604 /nfs/dbraw/zinc/09/76/04/454097604.db2.gz LLDPWQMPUBHLTQ-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP c1csc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000069563980 454119399 /nfs/dbraw/zinc/11/93/99/454119399.db2.gz POKNEHWZCOSJSM-UHFFFAOYSA-N 2 2 339.468 3.041 20 0 EGADLP c1csc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000069563980 454119400 /nfs/dbraw/zinc/11/94/00/454119400.db2.gz POKNEHWZCOSJSM-UHFFFAOYSA-N 2 2 339.468 3.041 20 0 EGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(Cl)cccc1Cl ZINC000174722275 455412921 /nfs/dbraw/zinc/41/29/21/455412921.db2.gz CDYCALDIQBIBAV-UHFFFAOYSA-N 2 2 330.303 3.063 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)c(C)c1 ZINC000119318267 454185914 /nfs/dbraw/zinc/18/59/14/454185914.db2.gz JXKWSKJEBGBGBE-ROUUACIJSA-N 2 2 331.504 3.485 20 0 EGADLP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)n2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000071890850 454245042 /nfs/dbraw/zinc/24/50/42/454245042.db2.gz PKBNYKWNVJJBMK-IRXDYDNUSA-N 2 2 340.471 3.224 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000090047388 454266585 /nfs/dbraw/zinc/26/65/85/454266585.db2.gz QYNKBWNHAVFLNI-YOEHRIQHSA-N 2 2 338.879 3.254 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000090048311 454266951 /nfs/dbraw/zinc/26/69/51/454266951.db2.gz ZNJVGVGXDUOUPD-JXFKEZNVSA-N 2 2 344.499 3.089 20 0 EGADLP CC(C)c1cc(N2CCN(c3cc[nH+]cc3)CC2)nc(C(C)C)[nH+]1 ZINC000090068325 454271482 /nfs/dbraw/zinc/27/14/82/454271482.db2.gz LMLFSSRHIDPVMO-UHFFFAOYSA-N 2 2 325.460 3.445 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000090936714 454351594 /nfs/dbraw/zinc/35/15/94/454351594.db2.gz LBQXPOKGCNPJAG-WBAXXEDZSA-N 2 2 340.870 3.487 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000090936714 454351598 /nfs/dbraw/zinc/35/15/98/454351598.db2.gz LBQXPOKGCNPJAG-WBAXXEDZSA-N 2 2 340.870 3.487 20 0 EGADLP Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC000133739029 454460971 /nfs/dbraw/zinc/46/09/71/454460971.db2.gz VFSSJZGRAJOHES-AEFFLSMTSA-N 2 2 346.862 3.231 20 0 EGADLP Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC000133739029 454460977 /nfs/dbraw/zinc/46/09/77/454460977.db2.gz VFSSJZGRAJOHES-AEFFLSMTSA-N 2 2 346.862 3.231 20 0 EGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000098143612 454461306 /nfs/dbraw/zinc/46/13/06/454461306.db2.gz VKLRHPLNLFKYNG-XMSQKQJNSA-N 2 2 338.495 3.017 20 0 EGADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000098143612 454461311 /nfs/dbraw/zinc/46/13/11/454461311.db2.gz VKLRHPLNLFKYNG-XMSQKQJNSA-N 2 2 338.495 3.017 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nnc2ccccn21 ZINC000121724732 454470106 /nfs/dbraw/zinc/47/01/06/454470106.db2.gz XSODOBDDEJNWJY-QGZVFWFLSA-N 2 2 349.482 3.087 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959982 454495910 /nfs/dbraw/zinc/49/59/10/454495910.db2.gz VMSYZUYYQRLUJQ-CZUORRHYSA-N 2 2 325.416 3.258 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)o1 ZINC000091959982 454495917 /nfs/dbraw/zinc/49/59/17/454495917.db2.gz VMSYZUYYQRLUJQ-CZUORRHYSA-N 2 2 325.416 3.258 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc(OC)ccc2Br)CC[C@@H]1[NH3+] ZINC000122885418 454578102 /nfs/dbraw/zinc/57/81/02/454578102.db2.gz XUGXVMXCQGTBLM-NHYWBVRUSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2Br)CC[C@@H]1[NH3+] ZINC000122885418 454578109 /nfs/dbraw/zinc/57/81/09/454578109.db2.gz XUGXVMXCQGTBLM-NHYWBVRUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)c1 ZINC000104720170 454598277 /nfs/dbraw/zinc/59/82/77/454598277.db2.gz IHJVMRXKRXSLSB-CYBMUJFWSA-N 2 2 333.382 3.252 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872938 454601185 /nfs/dbraw/zinc/60/11/85/454601185.db2.gz LLXUQMJWSVETSL-KDOFPFPSSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872938 454601188 /nfs/dbraw/zinc/60/11/88/454601188.db2.gz LLXUQMJWSVETSL-KDOFPFPSSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872938 454601192 /nfs/dbraw/zinc/60/11/92/454601192.db2.gz LLXUQMJWSVETSL-KDOFPFPSSA-N 2 2 347.890 3.227 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(Cl)c1 ZINC000134872938 454601196 /nfs/dbraw/zinc/60/11/96/454601196.db2.gz LLXUQMJWSVETSL-KDOFPFPSSA-N 2 2 347.890 3.227 20 0 EGADLP CC[C@H](C[NH2+][C@@H](CC)c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000123092485 454602047 /nfs/dbraw/zinc/60/20/47/454602047.db2.gz AXYPZCCJISBACJ-UXHICEINSA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@H](C[NH2+][C@@H](CC)c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000123092485 454602053 /nfs/dbraw/zinc/60/20/53/454602053.db2.gz AXYPZCCJISBACJ-UXHICEINSA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)[N@H+]1CCc2ccccc2C1 ZINC000123132061 454604991 /nfs/dbraw/zinc/60/49/91/454604991.db2.gz PUGNHVATRVPTJK-UYAOXDASSA-N 2 2 338.499 3.224 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000123361478 454629717 /nfs/dbraw/zinc/62/97/17/454629717.db2.gz LYPFWOHWRHGJJX-KFWWJZLASA-N 2 2 339.483 3.249 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC3 ZINC000123361478 454629723 /nfs/dbraw/zinc/62/97/23/454629723.db2.gz LYPFWOHWRHGJJX-KFWWJZLASA-N 2 2 339.483 3.249 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000080960083 454656795 /nfs/dbraw/zinc/65/67/95/454656795.db2.gz JHVBHTOMSCDZLL-NSHDSACASA-N 2 2 336.798 3.020 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cc(Cl)ccc1F ZINC000080960083 454656798 /nfs/dbraw/zinc/65/67/98/454656798.db2.gz JHVBHTOMSCDZLL-NSHDSACASA-N 2 2 336.798 3.020 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926129 460646588 /nfs/dbraw/zinc/64/65/88/460646588.db2.gz HAJVIFZOLSUTBA-ZWKOTPCHSA-N 2 2 349.906 3.077 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000600926129 460646596 /nfs/dbraw/zinc/64/65/96/460646596.db2.gz HAJVIFZOLSUTBA-ZWKOTPCHSA-N 2 2 349.906 3.077 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165329 454683152 /nfs/dbraw/zinc/68/31/52/454683152.db2.gz GMLLAKYKXQVZCA-KRWDZBQOSA-N 2 2 348.535 3.006 20 0 EGADLP COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000093281683 454700115 /nfs/dbraw/zinc/70/01/15/454700115.db2.gz SVYVAAGZJVRAEY-KRWDZBQOSA-N 2 2 341.455 3.284 20 0 EGADLP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000093281683 454700117 /nfs/dbraw/zinc/70/01/17/454700117.db2.gz SVYVAAGZJVRAEY-KRWDZBQOSA-N 2 2 341.455 3.284 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124340474 454720715 /nfs/dbraw/zinc/72/07/15/454720715.db2.gz KQLKJUSXYGZENT-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124340474 454720719 /nfs/dbraw/zinc/72/07/19/454720719.db2.gz KQLKJUSXYGZENT-CQSZACIVSA-N 2 2 334.851 3.194 20 0 EGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000124382030 454725862 /nfs/dbraw/zinc/72/58/62/454725862.db2.gz SKBZCAPMMVWVRX-UHFFFAOYSA-N 2 2 325.460 3.316 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000136174715 454726660 /nfs/dbraw/zinc/72/66/60/454726660.db2.gz FYKTXYYOYZTGPF-VAWYXSNFSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000136304799 454734549 /nfs/dbraw/zinc/73/45/49/454734549.db2.gz KMRLZVNZBPTUGF-GFCCVEGCSA-N 2 2 331.445 3.386 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000136304799 454734553 /nfs/dbraw/zinc/73/45/53/454734553.db2.gz KMRLZVNZBPTUGF-GFCCVEGCSA-N 2 2 331.445 3.386 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865674 454740895 /nfs/dbraw/zinc/74/08/95/454740895.db2.gz ZHKPEVKKXCUERP-OAHLLOKOSA-N 2 2 332.473 3.038 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000093865674 454740900 /nfs/dbraw/zinc/74/09/00/454740900.db2.gz ZHKPEVKKXCUERP-OAHLLOKOSA-N 2 2 332.473 3.038 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000162144447 454754573 /nfs/dbraw/zinc/75/45/73/454754573.db2.gz QAVGDYOZBSXUEW-BBTUJRGHSA-N 3 2 329.532 3.278 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000162144447 454754576 /nfs/dbraw/zinc/75/45/76/454754576.db2.gz QAVGDYOZBSXUEW-BBTUJRGHSA-N 3 2 329.532 3.278 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000162191732 454757725 /nfs/dbraw/zinc/75/77/25/454757725.db2.gz TUJUOAOTKLYZHK-WCQYABFASA-N 2 2 341.268 3.346 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000162191732 454757728 /nfs/dbraw/zinc/75/77/28/454757728.db2.gz TUJUOAOTKLYZHK-WCQYABFASA-N 2 2 341.268 3.346 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCOCC1 ZINC000153211191 454771206 /nfs/dbraw/zinc/77/12/06/454771206.db2.gz IXHMECCZZAJABC-BBRMVZONSA-N 2 2 340.920 3.435 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124851314 454775868 /nfs/dbraw/zinc/77/58/68/454775868.db2.gz NGIAOFBTTNVZBI-MSOLQXFVSA-N 2 2 337.552 3.218 20 0 EGADLP CN(C(=O)CC(C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124851314 454775871 /nfs/dbraw/zinc/77/58/71/454775871.db2.gz NGIAOFBTTNVZBI-MSOLQXFVSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([S@@](C)=O)cc1 ZINC000162892369 454807299 /nfs/dbraw/zinc/80/72/99/454807299.db2.gz SMIQZLWFGURKCF-CMJOXMDJSA-N 2 2 331.485 3.362 20 0 EGADLP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109793150 454837302 /nfs/dbraw/zinc/83/73/02/454837302.db2.gz VXHVMXSDYMHRFT-UHFFFAOYSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)(C)OC(=O)N1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000177286025 454846497 /nfs/dbraw/zinc/84/64/97/454846497.db2.gz WDYXGCDRXBWJQY-UHFFFAOYSA-N 2 2 348.491 3.263 20 0 EGADLP CCc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000125837749 454850805 /nfs/dbraw/zinc/85/08/05/454850805.db2.gz NVKNXUVDBIUOSD-UHFFFAOYSA-N 3 2 326.488 3.235 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000177340747 454853572 /nfs/dbraw/zinc/85/35/72/454853572.db2.gz VWPLMUFQOJAYEA-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000177340747 454853576 /nfs/dbraw/zinc/85/35/76/454853576.db2.gz VWPLMUFQOJAYEA-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000177340747 454853580 /nfs/dbraw/zinc/85/35/80/454853580.db2.gz VWPLMUFQOJAYEA-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000177340747 454853582 /nfs/dbraw/zinc/85/35/82/454853582.db2.gz VWPLMUFQOJAYEA-MSOLQXFVSA-N 2 2 340.467 3.468 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000126061862 454867463 /nfs/dbraw/zinc/86/74/63/454867463.db2.gz WMTJSJQNZZBFGP-KUHUBIRLSA-N 2 2 334.423 3.058 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037344 454872473 /nfs/dbraw/zinc/87/24/73/454872473.db2.gz XEBNBEXUZUBDFJ-KEYYUXOJSA-N 2 2 330.451 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000164037344 454872476 /nfs/dbraw/zinc/87/24/76/454872476.db2.gz XEBNBEXUZUBDFJ-KEYYUXOJSA-N 2 2 330.451 3.453 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000154269894 454880067 /nfs/dbraw/zinc/88/00/67/454880067.db2.gz WRXKMJJIOVBWNF-GXTWGEPZSA-N 2 2 345.830 3.479 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000164863365 454890125 /nfs/dbraw/zinc/89/01/25/454890125.db2.gz RXRMSLFFFSIYPM-QGZVFWFLSA-N 2 2 336.549 3.274 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000164863365 454890129 /nfs/dbraw/zinc/89/01/29/454890129.db2.gz RXRMSLFFFSIYPM-QGZVFWFLSA-N 2 2 336.549 3.274 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2OC(F)F)CC1 ZINC000112709470 454897642 /nfs/dbraw/zinc/89/76/42/454897642.db2.gz WZYPHCIFSKJRIH-UHFFFAOYSA-N 2 2 328.403 3.261 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)nnn1-c1ccc(F)cc1 ZINC000165309737 454897929 /nfs/dbraw/zinc/89/79/29/454897929.db2.gz RIPLJFWZMYRCKA-LSDHHAIUSA-N 2 2 345.466 3.097 20 0 EGADLP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000165350147 454898884 /nfs/dbraw/zinc/89/88/84/454898884.db2.gz HFPBHPKGNXROMD-OAHLLOKOSA-N 2 2 330.451 3.357 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000165987237 454906931 /nfs/dbraw/zinc/90/69/31/454906931.db2.gz CTFJDFGVRLDDJY-GIVPXCGWSA-N 3 2 347.547 3.016 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000165987237 454906935 /nfs/dbraw/zinc/90/69/35/454906935.db2.gz CTFJDFGVRLDDJY-GIVPXCGWSA-N 3 2 347.547 3.016 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H](CC[N@H+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000165987237 454906938 /nfs/dbraw/zinc/90/69/38/454906938.db2.gz CTFJDFGVRLDDJY-GIVPXCGWSA-N 3 2 347.547 3.016 20 0 EGADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000166745279 454915551 /nfs/dbraw/zinc/91/55/51/454915551.db2.gz OQEAMKNVCUEZMP-INIZCTEOSA-N 2 2 330.472 3.467 20 0 EGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000166745279 454915556 /nfs/dbraw/zinc/91/55/56/454915556.db2.gz OQEAMKNVCUEZMP-INIZCTEOSA-N 2 2 330.472 3.467 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178115664 454936070 /nfs/dbraw/zinc/93/60/70/454936070.db2.gz UKRKGXGOHAIRTC-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178115664 454936075 /nfs/dbraw/zinc/93/60/75/454936075.db2.gz UKRKGXGOHAIRTC-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178115664 454936080 /nfs/dbraw/zinc/93/60/80/454936080.db2.gz UKRKGXGOHAIRTC-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178115664 454936083 /nfs/dbraw/zinc/93/60/83/454936083.db2.gz UKRKGXGOHAIRTC-HDMKZQKVSA-N 2 2 349.906 3.392 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000155023960 454954594 /nfs/dbraw/zinc/95/45/94/454954594.db2.gz BOPHPUUDQAWIRA-DNVCBOLYSA-N 2 2 338.442 3.460 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359184 454991173 /nfs/dbraw/zinc/99/11/73/454991173.db2.gz UUBPNCJGFUMZAP-HOTGVXAUSA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359184 454991177 /nfs/dbraw/zinc/99/11/77/454991177.db2.gz UUBPNCJGFUMZAP-HOTGVXAUSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359184 454991181 /nfs/dbraw/zinc/99/11/81/454991181.db2.gz UUBPNCJGFUMZAP-HOTGVXAUSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4)s3)CC[C@@H]21 ZINC000155359184 454991184 /nfs/dbraw/zinc/99/11/84/454991184.db2.gz UUBPNCJGFUMZAP-HOTGVXAUSA-N 2 2 328.485 3.121 20 0 EGADLP C[C@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000128047655 455021063 /nfs/dbraw/zinc/02/10/63/455021063.db2.gz LTTLCSKGSJXBCQ-OAHLLOKOSA-N 3 2 327.582 3.055 20 0 EGADLP c1ccc2c(c1)C[C@H]1[C@@H](C[NH2+]C3CC[NH+](Cc4cccnc4)CC3)[C@@H]21 ZINC000128050415 455021931 /nfs/dbraw/zinc/02/19/31/455021931.db2.gz IAPAIDSCGNIAEL-BDTNDASRSA-N 2 2 333.479 3.222 20 0 EGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000155731345 455037576 /nfs/dbraw/zinc/03/75/76/455037576.db2.gz KYOASGWFBDSMFP-JTQLQIEISA-N 2 2 347.312 3.437 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000155738365 455039111 /nfs/dbraw/zinc/03/91/11/455039111.db2.gz HNYPRIZRKMJJKD-ZDUSSCGKSA-N 2 2 345.409 3.352 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000155738365 455039114 /nfs/dbraw/zinc/03/91/14/455039114.db2.gz HNYPRIZRKMJJKD-ZDUSSCGKSA-N 2 2 345.409 3.352 20 0 EGADLP Clc1cnc(OCC[NH2+]Cc2cccc3[nH+]ccn32)c(Cl)c1 ZINC000179429649 455047416 /nfs/dbraw/zinc/04/74/16/455047416.db2.gz MLDCWLBHNKTCRN-UHFFFAOYSA-N 2 2 337.210 3.205 20 0 EGADLP CC[N@H+](CCNC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000155841484 455051858 /nfs/dbraw/zinc/05/18/58/455051858.db2.gz CINUBBAOZMUNFY-UHFFFAOYSA-N 2 2 335.923 3.378 20 0 EGADLP CC[N@@H+](CCNC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000155841484 455051863 /nfs/dbraw/zinc/05/18/63/455051863.db2.gz CINUBBAOZMUNFY-UHFFFAOYSA-N 2 2 335.923 3.378 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000128441782 455056783 /nfs/dbraw/zinc/05/67/83/455056783.db2.gz ZVUOFIYLRVBGEI-LBPRGKRZSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000128441782 455056788 /nfs/dbraw/zinc/05/67/88/455056788.db2.gz ZVUOFIYLRVBGEI-LBPRGKRZSA-N 2 2 332.275 3.237 20 0 EGADLP O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179639683 455063494 /nfs/dbraw/zinc/06/34/94/455063494.db2.gz ZLEIJHIFFQIHFF-INIZCTEOSA-N 2 2 334.423 3.185 20 0 EGADLP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179639683 455063498 /nfs/dbraw/zinc/06/34/98/455063498.db2.gz ZLEIJHIFFQIHFF-INIZCTEOSA-N 2 2 334.423 3.185 20 0 EGADLP C[C@H]([NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[C@@H]1CCOC1 ZINC000179955718 455105479 /nfs/dbraw/zinc/10/54/79/455105479.db2.gz IBZDWKVSCYONEX-FUHWJXTLSA-N 2 2 331.504 3.302 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152418015 455116118 /nfs/dbraw/zinc/11/61/18/455116118.db2.gz MUDNUOCBVXTYDF-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152418015 455116122 /nfs/dbraw/zinc/11/61/22/455116122.db2.gz MUDNUOCBVXTYDF-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152418015 455116127 /nfs/dbraw/zinc/11/61/27/455116127.db2.gz MUDNUOCBVXTYDF-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152418015 455116131 /nfs/dbraw/zinc/11/61/31/455116131.db2.gz MUDNUOCBVXTYDF-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1c(F)cccc1F ZINC000172092641 455120769 /nfs/dbraw/zinc/12/07/69/455120769.db2.gz ZGORMBSOVAGPFT-DOMZBBRYSA-N 2 2 341.446 3.248 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088947 455130169 /nfs/dbraw/zinc/13/01/69/455130169.db2.gz GUCGFSFWRNZVML-NQIIRXRSSA-N 2 2 342.458 3.286 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000180088947 455130175 /nfs/dbraw/zinc/13/01/75/455130175.db2.gz GUCGFSFWRNZVML-NQIIRXRSSA-N 2 2 342.458 3.286 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000119192918 455132348 /nfs/dbraw/zinc/13/23/48/455132348.db2.gz KZHNXLABBJEGKI-HBFSDRIKSA-N 2 2 345.531 3.295 20 0 EGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCCC1 ZINC000119192918 455132349 /nfs/dbraw/zinc/13/23/49/455132349.db2.gz KZHNXLABBJEGKI-HBFSDRIKSA-N 2 2 345.531 3.295 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccco1 ZINC000156622382 455138896 /nfs/dbraw/zinc/13/88/96/455138896.db2.gz LUCPDFKXYGWWFZ-IBGZPJMESA-N 2 2 346.446 3.403 20 0 EGADLP c1cn2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c(C3CC3)nc2s1 ZINC000180392351 455163641 /nfs/dbraw/zinc/16/36/41/455163641.db2.gz RMINOFDBUBYTIO-CQSZACIVSA-N 2 2 330.501 3.191 20 0 EGADLP c1cn2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c(C3CC3)nc2s1 ZINC000180392351 455163644 /nfs/dbraw/zinc/16/36/44/455163644.db2.gz RMINOFDBUBYTIO-CQSZACIVSA-N 2 2 330.501 3.191 20 0 EGADLP CC[N@H+](CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000264835269 455289506 /nfs/dbraw/zinc/28/95/06/455289506.db2.gz BKWYFCJWPBJIBV-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000264835269 455289511 /nfs/dbraw/zinc/28/95/11/455289511.db2.gz BKWYFCJWPBJIBV-UHFFFAOYSA-N 2 2 325.412 3.088 20 0 EGADLP c1cn(CCC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000182866857 455180142 /nfs/dbraw/zinc/18/01/42/455180142.db2.gz HBBQTTKMINXYJY-OAHLLOKOSA-N 2 2 330.501 3.488 20 0 EGADLP c1cn(CCC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c[nH+]1 ZINC000182866857 455180143 /nfs/dbraw/zinc/18/01/43/455180143.db2.gz HBBQTTKMINXYJY-OAHLLOKOSA-N 2 2 330.501 3.488 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+]2CCCC2)c1 ZINC000157487053 455198768 /nfs/dbraw/zinc/19/87/68/455198768.db2.gz BWSGDCVQKNRCBA-FXAWDEMLSA-N 2 2 342.487 3.097 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(Br)c1 ZINC000623657358 460666190 /nfs/dbraw/zinc/66/61/90/460666190.db2.gz ORTDBOURTGHAJI-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(Br)c1 ZINC000623657358 460666194 /nfs/dbraw/zinc/66/61/94/460666194.db2.gz ORTDBOURTGHAJI-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000190316317 455297005 /nfs/dbraw/zinc/29/70/05/455297005.db2.gz GBTHSIDBLPCUEU-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000190316317 455297013 /nfs/dbraw/zinc/29/70/13/455297013.db2.gz GBTHSIDBLPCUEU-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000190316317 455297017 /nfs/dbraw/zinc/29/70/17/455297017.db2.gz GBTHSIDBLPCUEU-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000190316317 455297023 /nfs/dbraw/zinc/29/70/23/455297023.db2.gz GBTHSIDBLPCUEU-LJQANCHMSA-N 2 2 330.497 3.125 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439154 455300348 /nfs/dbraw/zinc/30/03/48/455300348.db2.gz FRKFBBDIBNSMBH-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439154 455300350 /nfs/dbraw/zinc/30/03/50/455300350.db2.gz FRKFBBDIBNSMBH-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439154 455300353 /nfs/dbraw/zinc/30/03/53/455300353.db2.gz FRKFBBDIBNSMBH-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000245439154 455300356 /nfs/dbraw/zinc/30/03/56/455300356.db2.gz FRKFBBDIBNSMBH-SJORKVTESA-N 2 2 331.504 3.411 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000181728092 455375906 /nfs/dbraw/zinc/37/59/06/455375906.db2.gz IYZVJWRPQBRHIG-CHWSQXEVSA-N 2 2 341.293 3.450 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000181728092 455375907 /nfs/dbraw/zinc/37/59/07/455375907.db2.gz IYZVJWRPQBRHIG-CHWSQXEVSA-N 2 2 341.293 3.450 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000181728053 455376131 /nfs/dbraw/zinc/37/61/31/455376131.db2.gz IYZVJWRPQBRHIG-OLZOCXBDSA-N 2 2 341.293 3.450 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000181728053 455376132 /nfs/dbraw/zinc/37/61/32/455376132.db2.gz IYZVJWRPQBRHIG-OLZOCXBDSA-N 2 2 341.293 3.450 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)[C@@H]2CCCO[C@H]21 ZINC000245869205 455389870 /nfs/dbraw/zinc/38/98/70/455389870.db2.gz JBZAPGGYWNGGNP-IPMKNSEASA-N 2 2 325.456 3.225 20 0 EGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(Cl)cccc1Cl ZINC000174722275 455412920 /nfs/dbraw/zinc/41/29/20/455412920.db2.gz CDYCALDIQBIBAV-UHFFFAOYSA-N 2 2 330.303 3.063 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752556 455448032 /nfs/dbraw/zinc/44/80/32/455448032.db2.gz QQYSZOWDMPOGKX-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752556 455448036 /nfs/dbraw/zinc/44/80/36/455448036.db2.gz QQYSZOWDMPOGKX-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000191601397 455502772 /nfs/dbraw/zinc/50/27/72/455502772.db2.gz PEVIASXXJVERIU-PXNSSMCTSA-N 2 2 335.451 3.435 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843853 455529227 /nfs/dbraw/zinc/52/92/27/455529227.db2.gz RZJUDCPKLFVZJN-SZVBFZGTSA-N 2 2 347.890 3.249 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843853 455529228 /nfs/dbraw/zinc/52/92/28/455529228.db2.gz RZJUDCPKLFVZJN-SZVBFZGTSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843853 455529230 /nfs/dbraw/zinc/52/92/30/455529230.db2.gz RZJUDCPKLFVZJN-SZVBFZGTSA-N 2 2 347.890 3.249 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC(c4ccc(Cl)cc4)=NO3)CC[C@H]21 ZINC000246843853 455529232 /nfs/dbraw/zinc/52/92/32/455529232.db2.gz RZJUDCPKLFVZJN-SZVBFZGTSA-N 2 2 347.890 3.249 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246865666 455531293 /nfs/dbraw/zinc/53/12/93/455531293.db2.gz PVTHPGXSMOSNHV-PXNSSMCTSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246865666 455531296 /nfs/dbraw/zinc/53/12/96/455531296.db2.gz PVTHPGXSMOSNHV-PXNSSMCTSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246865666 455531298 /nfs/dbraw/zinc/53/12/98/455531298.db2.gz PVTHPGXSMOSNHV-PXNSSMCTSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246865666 455531300 /nfs/dbraw/zinc/53/13/00/455531300.db2.gz PVTHPGXSMOSNHV-PXNSSMCTSA-N 2 2 341.499 3.191 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246996059 455541311 /nfs/dbraw/zinc/54/13/11/455541311.db2.gz PTNRGOPTWQAUOR-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246996059 455541316 /nfs/dbraw/zinc/54/13/16/455541316.db2.gz PTNRGOPTWQAUOR-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000246996059 455541320 /nfs/dbraw/zinc/54/13/20/455541320.db2.gz PTNRGOPTWQAUOR-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000246996059 455541324 /nfs/dbraw/zinc/54/13/24/455541324.db2.gz PTNRGOPTWQAUOR-AZUAARDMSA-N 2 2 345.531 3.164 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247110980 455560546 /nfs/dbraw/zinc/56/05/46/455560546.db2.gz ACSKEJCYTIDUPS-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247110980 455560547 /nfs/dbraw/zinc/56/05/47/455560547.db2.gz ACSKEJCYTIDUPS-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110980 455560551 /nfs/dbraw/zinc/56/05/51/455560551.db2.gz ACSKEJCYTIDUPS-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247110980 455560553 /nfs/dbraw/zinc/56/05/53/455560553.db2.gz ACSKEJCYTIDUPS-WMLDXEAASA-N 2 2 335.879 3.003 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247114875 455562267 /nfs/dbraw/zinc/56/22/67/455562267.db2.gz LYPNDHJJJIXAOF-LPHOPBHVSA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247114875 455562273 /nfs/dbraw/zinc/56/22/73/455562273.db2.gz LYPNDHJJJIXAOF-LPHOPBHVSA-N 2 2 329.444 3.244 20 0 EGADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182667140 455564128 /nfs/dbraw/zinc/56/41/28/455564128.db2.gz UCRRHAGUVKSPLF-KRWDZBQOSA-N 2 2 327.472 3.316 20 0 EGADLP COc1ccccc1CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182667140 455564133 /nfs/dbraw/zinc/56/41/33/455564133.db2.gz UCRRHAGUVKSPLF-KRWDZBQOSA-N 2 2 327.472 3.316 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000247132579 455564173 /nfs/dbraw/zinc/56/41/73/455564173.db2.gz QPAQFVWKWVKQFD-FUHWJXTLSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000247132579 455564177 /nfs/dbraw/zinc/56/41/77/455564177.db2.gz QPAQFVWKWVKQFD-FUHWJXTLSA-N 2 2 347.478 3.411 20 0 EGADLP CC(C)CO[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929434 455612811 /nfs/dbraw/zinc/61/28/11/455612811.db2.gz CQEGKVCMXQFFEU-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000283929434 455612817 /nfs/dbraw/zinc/61/28/17/455612817.db2.gz CQEGKVCMXQFFEU-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929434 455612819 /nfs/dbraw/zinc/61/28/19/455612819.db2.gz CQEGKVCMXQFFEU-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)CO[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000283929434 455612824 /nfs/dbraw/zinc/61/28/24/455612824.db2.gz CQEGKVCMXQFFEU-SFTDATJTSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2sccc2Br)CCCO1 ZINC000277631738 455619479 /nfs/dbraw/zinc/61/94/79/455619479.db2.gz CGQZLCYOCIIZOO-GFCCVEGCSA-N 2 2 347.322 3.101 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2sccc2Br)CCCO1 ZINC000277631738 455619484 /nfs/dbraw/zinc/61/94/84/455619484.db2.gz CGQZLCYOCIIZOO-GFCCVEGCSA-N 2 2 347.322 3.101 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000247600432 455629169 /nfs/dbraw/zinc/62/91/69/455629169.db2.gz KWUBHCQLJZERPW-TVFCKZIOSA-N 2 2 346.519 3.166 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000247600432 455629175 /nfs/dbraw/zinc/62/91/75/455629175.db2.gz KWUBHCQLJZERPW-TVFCKZIOSA-N 2 2 346.519 3.166 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)C[C@H](C)O1 ZINC000247880086 455652177 /nfs/dbraw/zinc/65/21/77/455652177.db2.gz BLLZOSCBEWYBSW-DAYGRLMNSA-N 2 2 336.451 3.128 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)C[C@H](C)O1 ZINC000247880086 455652182 /nfs/dbraw/zinc/65/21/82/455652182.db2.gz BLLZOSCBEWYBSW-DAYGRLMNSA-N 2 2 336.451 3.128 20 0 EGADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[NH+]2CCC(C)CC2)n1 ZINC000277742545 455652928 /nfs/dbraw/zinc/65/29/28/455652928.db2.gz BXGMJQYGFVDBJP-UHFFFAOYSA-N 2 2 339.443 3.262 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247930326 455656061 /nfs/dbraw/zinc/65/60/61/455656061.db2.gz BZNKQBWPKIAFNT-PMACEKPBSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247930326 455656065 /nfs/dbraw/zinc/65/60/65/455656065.db2.gz BZNKQBWPKIAFNT-PMACEKPBSA-N 2 2 338.499 3.390 20 0 EGADLP C[C@H](C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+]1CCOCC1 ZINC000247984861 455665830 /nfs/dbraw/zinc/66/58/30/455665830.db2.gz IRTAUBKUBCDWGZ-OWCLPIDISA-N 2 2 347.528 3.346 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248003952 455669831 /nfs/dbraw/zinc/66/98/31/455669831.db2.gz KQFOZYSJXQPYDM-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248003952 455669832 /nfs/dbraw/zinc/66/98/32/455669832.db2.gz KQFOZYSJXQPYDM-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248003952 455669833 /nfs/dbraw/zinc/66/98/33/455669833.db2.gz KQFOZYSJXQPYDM-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248003952 455669834 /nfs/dbraw/zinc/66/98/34/455669834.db2.gz KQFOZYSJXQPYDM-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000248028979 455671612 /nfs/dbraw/zinc/67/16/12/455671612.db2.gz PWFNEUQQNDCTBX-QLFBSQMISA-N 2 2 333.501 3.446 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000248028979 455671616 /nfs/dbraw/zinc/67/16/16/455671616.db2.gz PWFNEUQQNDCTBX-QLFBSQMISA-N 2 2 333.501 3.446 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2OC(F)F)C1 ZINC000248065384 455677034 /nfs/dbraw/zinc/67/70/34/455677034.db2.gz ZJIWALVPEYJFRN-CABCVRRESA-N 2 2 342.430 3.295 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC1 ZINC000277840904 455682467 /nfs/dbraw/zinc/68/24/67/455682467.db2.gz ZKRMWDISTFVBAK-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC1 ZINC000277840904 455682474 /nfs/dbraw/zinc/68/24/74/455682474.db2.gz ZKRMWDISTFVBAK-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000271576251 455690336 /nfs/dbraw/zinc/69/03/36/455690336.db2.gz ZWKRSJCUEIOKMN-XHDPSFHLSA-N 2 2 339.277 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000271576251 455690339 /nfs/dbraw/zinc/69/03/39/455690339.db2.gz ZWKRSJCUEIOKMN-XHDPSFHLSA-N 2 2 339.277 3.030 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1C ZINC000248172486 455693415 /nfs/dbraw/zinc/69/34/15/455693415.db2.gz VAAMJRIHPWJAOJ-JKSUJKDBSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1C ZINC000248172486 455693420 /nfs/dbraw/zinc/69/34/20/455693420.db2.gz VAAMJRIHPWJAOJ-JKSUJKDBSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1C ZINC000248172486 455693423 /nfs/dbraw/zinc/69/34/23/455693423.db2.gz VAAMJRIHPWJAOJ-JKSUJKDBSA-N 2 2 335.517 3.028 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1C ZINC000248172486 455693427 /nfs/dbraw/zinc/69/34/27/455693427.db2.gz VAAMJRIHPWJAOJ-JKSUJKDBSA-N 2 2 335.517 3.028 20 0 EGADLP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000186117388 455696467 /nfs/dbraw/zinc/69/64/67/455696467.db2.gz FSVWHNAIUTXAOT-GFCCVEGCSA-N 2 2 328.441 3.497 20 0 EGADLP c1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)[NH+]2CCCC2)cc1 ZINC000192909563 455715890 /nfs/dbraw/zinc/71/58/90/455715890.db2.gz YGUUTFWGYOIHQR-IBGZPJMESA-N 2 2 330.472 3.099 20 0 EGADLP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000277942512 455716199 /nfs/dbraw/zinc/71/61/99/455716199.db2.gz RBSBZPZGASLVJU-HOCLYGCPSA-N 2 2 344.459 3.069 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268907810 455725402 /nfs/dbraw/zinc/72/54/02/455725402.db2.gz NMSINJVRXFKCEM-BXWFABGCSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268907810 455725404 /nfs/dbraw/zinc/72/54/04/455725404.db2.gz NMSINJVRXFKCEM-BXWFABGCSA-N 2 2 326.488 3.432 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778887 455754976 /nfs/dbraw/zinc/75/49/76/455754976.db2.gz YYIVBUPLQACKAE-HOCLYGCPSA-N 2 2 334.460 3.386 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)oc1C ZINC000292778887 455754982 /nfs/dbraw/zinc/75/49/82/455754982.db2.gz YYIVBUPLQACKAE-HOCLYGCPSA-N 2 2 334.460 3.386 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]([C@H](C)C3CC3)C3CC3)c2cc1C ZINC000249744761 455772023 /nfs/dbraw/zinc/77/20/23/455772023.db2.gz ZCKVFCGMZDWYSH-QAPCUYQASA-N 2 2 327.472 3.277 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]([C@H](C)C3CC3)C3CC3)c2cc1C ZINC000249744761 455772027 /nfs/dbraw/zinc/77/20/27/455772027.db2.gz ZCKVFCGMZDWYSH-QAPCUYQASA-N 2 2 327.472 3.277 20 0 EGADLP Cc1c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057416 455778423 /nfs/dbraw/zinc/77/84/23/455778423.db2.gz ZLRPTASUUTUSRG-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057416 455778428 /nfs/dbraw/zinc/77/84/28/455778428.db2.gz ZLRPTASUUTUSRG-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057416 455778433 /nfs/dbraw/zinc/77/84/33/455778433.db2.gz ZLRPTASUUTUSRG-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057416 455778437 /nfs/dbraw/zinc/77/84/37/455778437.db2.gz ZLRPTASUUTUSRG-OXQOHEQNSA-N 2 2 326.488 3.213 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000271853061 455787020 /nfs/dbraw/zinc/78/70/20/455787020.db2.gz WRXHGDXAVLGVII-NRFANRHFSA-N 2 2 344.499 3.453 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)CC1 ZINC000250289888 455787286 /nfs/dbraw/zinc/78/72/86/455787286.db2.gz QHRILXJMMBONJE-UFYCRDLUSA-N 2 2 349.563 3.220 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)CC1 ZINC000250289888 455787289 /nfs/dbraw/zinc/78/72/89/455787289.db2.gz QHRILXJMMBONJE-UFYCRDLUSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000285406705 455838781 /nfs/dbraw/zinc/83/87/81/455838781.db2.gz FPIGKRRPOMHWDQ-JWTNVVGKSA-N 2 2 329.488 3.107 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1 ZINC000285406705 455838784 /nfs/dbraw/zinc/83/87/84/455838784.db2.gz FPIGKRRPOMHWDQ-JWTNVVGKSA-N 2 2 329.488 3.107 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1 ZINC000285406705 455838786 /nfs/dbraw/zinc/83/87/86/455838786.db2.gz FPIGKRRPOMHWDQ-JWTNVVGKSA-N 2 2 329.488 3.107 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000285406705 455838789 /nfs/dbraw/zinc/83/87/89/455838789.db2.gz FPIGKRRPOMHWDQ-JWTNVVGKSA-N 2 2 329.488 3.107 20 0 EGADLP C[C@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC[NH2+]C1 ZINC000269368769 455844825 /nfs/dbraw/zinc/84/48/25/455844825.db2.gz XFEWBMCCCPBOMU-FQEVSTJZSA-N 2 2 338.455 3.215 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000270090193 455875909 /nfs/dbraw/zinc/87/59/09/455875909.db2.gz AKRWVCHGJIEVQC-OAHLLOKOSA-N 2 2 337.427 3.270 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000270090193 455875913 /nfs/dbraw/zinc/87/59/13/455875913.db2.gz AKRWVCHGJIEVQC-OAHLLOKOSA-N 2 2 337.427 3.270 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)n1 ZINC000272281054 455899934 /nfs/dbraw/zinc/89/99/34/455899934.db2.gz AAMGEZDRROMSIX-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)n1 ZINC000272281054 455899938 /nfs/dbraw/zinc/89/99/38/455899938.db2.gz AAMGEZDRROMSIX-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(Br)n1 ZINC000272281054 455899942 /nfs/dbraw/zinc/89/99/42/455899942.db2.gz AAMGEZDRROMSIX-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Br)n1 ZINC000272281054 455899948 /nfs/dbraw/zinc/89/99/48/455899948.db2.gz AAMGEZDRROMSIX-AWEZNQCLSA-N 2 2 326.282 3.150 20 0 EGADLP c1[nH]c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1-c1ccccc1 ZINC000187410017 455907179 /nfs/dbraw/zinc/90/71/79/455907179.db2.gz VOMRYHFEQLBRLH-UHFFFAOYSA-N 2 2 333.439 3.230 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261643593 455919864 /nfs/dbraw/zinc/91/98/64/455919864.db2.gz IPAIXSABVPIEBU-IEBWSBKVSA-N 2 2 326.440 3.417 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000261643593 455919870 /nfs/dbraw/zinc/91/98/70/455919870.db2.gz IPAIXSABVPIEBU-IEBWSBKVSA-N 2 2 326.440 3.417 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745241 455939891 /nfs/dbraw/zinc/93/98/91/455939891.db2.gz PQFJCGRRRIMIBW-KKSFZXQISA-N 2 2 337.467 3.351 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745241 455939896 /nfs/dbraw/zinc/93/98/96/455939896.db2.gz PQFJCGRRRIMIBW-KKSFZXQISA-N 2 2 337.467 3.351 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000261760548 455942394 /nfs/dbraw/zinc/94/23/94/455942394.db2.gz VSFFOUANYUBHRZ-MSOLQXFVSA-N 2 2 331.504 3.045 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000261760548 455942400 /nfs/dbraw/zinc/94/24/00/455942400.db2.gz VSFFOUANYUBHRZ-MSOLQXFVSA-N 2 2 331.504 3.045 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261787734 455947311 /nfs/dbraw/zinc/94/73/11/455947311.db2.gz URPRDRHCMUATDL-RBUKOAKNSA-N 2 2 326.488 3.182 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261787734 455947319 /nfs/dbraw/zinc/94/73/19/455947319.db2.gz URPRDRHCMUATDL-RBUKOAKNSA-N 2 2 326.488 3.182 20 0 EGADLP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000261900071 455968016 /nfs/dbraw/zinc/96/80/16/455968016.db2.gz YTSBKWKBMVSQDB-CQSZACIVSA-N 2 2 326.444 3.091 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc(Cl)nc2)CC1 ZINC000272489768 455969012 /nfs/dbraw/zinc/96/90/12/455969012.db2.gz BZRCXSVDHZXXOB-UHFFFAOYSA-N 2 2 335.801 3.284 20 0 EGADLP Nc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907108 455969565 /nfs/dbraw/zinc/96/95/65/455969565.db2.gz XJEFLJRFEFEHEJ-SJLPKXTDSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907108 455969567 /nfs/dbraw/zinc/96/95/67/455969567.db2.gz XJEFLJRFEFEHEJ-SJLPKXTDSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000261907108 455969570 /nfs/dbraw/zinc/96/95/70/455969570.db2.gz XJEFLJRFEFEHEJ-SJLPKXTDSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000261907108 455969573 /nfs/dbraw/zinc/96/95/73/455969573.db2.gz XJEFLJRFEFEHEJ-SJLPKXTDSA-N 2 2 342.512 3.212 20 0 EGADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000262063067 455992355 /nfs/dbraw/zinc/99/23/55/455992355.db2.gz RHGYUUGSRNKBOX-AWEZNQCLSA-N 2 2 338.377 3.075 20 0 EGADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000262063067 455992357 /nfs/dbraw/zinc/99/23/57/455992357.db2.gz RHGYUUGSRNKBOX-AWEZNQCLSA-N 2 2 338.377 3.075 20 0 EGADLP Cc1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272613559 456015251 /nfs/dbraw/zinc/01/52/51/456015251.db2.gz WUGGIORRMNRLFO-INIZCTEOSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000270689547 456015603 /nfs/dbraw/zinc/01/56/03/456015603.db2.gz XEHBLRRFYVZVOT-HNNXBMFYSA-N 2 2 332.879 3.224 20 0 EGADLP Cc1[nH+]ccn1CCN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000270689547 456015610 /nfs/dbraw/zinc/01/56/10/456015610.db2.gz XEHBLRRFYVZVOT-HNNXBMFYSA-N 2 2 332.879 3.224 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634308 456021094 /nfs/dbraw/zinc/02/10/94/456021094.db2.gz NNGSQUGHKPWCJC-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634308 456021098 /nfs/dbraw/zinc/02/10/98/456021098.db2.gz NNGSQUGHKPWCJC-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634308 456021102 /nfs/dbraw/zinc/02/11/02/456021102.db2.gz NNGSQUGHKPWCJC-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)[C@@H]2C1 ZINC000272634308 456021106 /nfs/dbraw/zinc/02/11/06/456021106.db2.gz NNGSQUGHKPWCJC-TZIWHRDSSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000297147794 456132607 /nfs/dbraw/zinc/13/26/07/456132607.db2.gz ZURPAXJLBCCBTJ-KBRIMQKVSA-N 2 2 348.853 3.403 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000297147794 456132614 /nfs/dbraw/zinc/13/26/14/456132614.db2.gz ZURPAXJLBCCBTJ-KBRIMQKVSA-N 2 2 348.853 3.403 20 0 EGADLP C[C@@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1=CC[N@H+](C)CC1 ZINC000273007168 456143910 /nfs/dbraw/zinc/14/39/10/456143910.db2.gz RXAPJALRVPBFIK-OAHLLOKOSA-N 2 2 337.423 3.254 20 0 EGADLP C[C@@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1=CC[N@@H+](C)CC1 ZINC000273007168 456143919 /nfs/dbraw/zinc/14/39/19/456143919.db2.gz RXAPJALRVPBFIK-OAHLLOKOSA-N 2 2 337.423 3.254 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H](O)c1c(F)cccc1F ZINC000271204909 456171838 /nfs/dbraw/zinc/17/18/38/456171838.db2.gz BYKDCIQAWRNUQC-MAUKXSAKSA-N 2 2 331.366 3.214 20 0 EGADLP Cc1cn2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2[nH+]1 ZINC000635254869 460722529 /nfs/dbraw/zinc/72/25/29/460722529.db2.gz KCANCEJDPWRTMK-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000297376979 456203602 /nfs/dbraw/zinc/20/36/02/456203602.db2.gz ICMIFCDVYBOMPH-GOSISDBHSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000297376979 456203606 /nfs/dbraw/zinc/20/36/06/456203606.db2.gz ICMIFCDVYBOMPH-GOSISDBHSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000297376979 456203614 /nfs/dbraw/zinc/20/36/14/456203614.db2.gz ICMIFCDVYBOMPH-GOSISDBHSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000297376979 456203617 /nfs/dbraw/zinc/20/36/17/456203617.db2.gz ICMIFCDVYBOMPH-GOSISDBHSA-N 2 2 330.501 3.109 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415742 456214315 /nfs/dbraw/zinc/21/43/15/456214315.db2.gz LVEIECSYDBYBMO-HOCLYGCPSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415742 456214317 /nfs/dbraw/zinc/21/43/17/456214317.db2.gz LVEIECSYDBYBMO-HOCLYGCPSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415742 456214320 /nfs/dbraw/zinc/21/43/20/456214320.db2.gz LVEIECSYDBYBMO-HOCLYGCPSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)c1O ZINC000297415742 456214323 /nfs/dbraw/zinc/21/43/23/456214323.db2.gz LVEIECSYDBYBMO-HOCLYGCPSA-N 2 2 338.879 3.360 20 0 EGADLP O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000290037515 456222377 /nfs/dbraw/zinc/22/23/77/456222377.db2.gz BGRYILJRIDSLBQ-UHFFFAOYSA-N 2 2 349.438 3.252 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000263835012 456239550 /nfs/dbraw/zinc/23/95/50/456239550.db2.gz FIVFEOMINJPWDY-UHFFFAOYSA-N 2 2 333.439 3.481 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000290112985 456243339 /nfs/dbraw/zinc/24/33/39/456243339.db2.gz SXKCMOAAUXIBAJ-UHFFFAOYSA-N 2 2 342.270 3.154 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000290112985 456243345 /nfs/dbraw/zinc/24/33/45/456243345.db2.gz SXKCMOAAUXIBAJ-UHFFFAOYSA-N 2 2 342.270 3.154 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3CC[N@H+](CC(C)C)C3)c2c1 ZINC000301931061 456253519 /nfs/dbraw/zinc/25/35/19/456253519.db2.gz OHANQHGRTBQXMG-OAHLLOKOSA-N 2 2 328.460 3.337 20 0 EGADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3CC[N@@H+](CC(C)C)C3)c2c1 ZINC000301931061 456253525 /nfs/dbraw/zinc/25/35/25/456253525.db2.gz OHANQHGRTBQXMG-OAHLLOKOSA-N 2 2 328.460 3.337 20 0 EGADLP Fc1cc(NC2CCN(c3cc[nH+]cc3)CC2)ccc1-n1cc[nH+]c1 ZINC000297587207 456257864 /nfs/dbraw/zinc/25/78/64/456257864.db2.gz DWWXHTNVZKDEMD-UHFFFAOYSA-N 2 2 337.402 3.487 20 0 EGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3nnc(C(C)(C)C)[nH]3)CC2)C1 ZINC000333820702 456266150 /nfs/dbraw/zinc/26/61/50/456266150.db2.gz IXEGKLOTCMORAQ-GOEBONIOSA-N 2 2 333.524 3.235 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH2+]CCCc2c[nH+]ccc2C)c(C)c1 ZINC000290235810 456272225 /nfs/dbraw/zinc/27/22/25/456272225.db2.gz GIJHQGSKKHIICS-UHFFFAOYSA-N 2 2 325.456 3.476 20 0 EGADLP COc1cccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000275650643 456278385 /nfs/dbraw/zinc/27/83/85/456278385.db2.gz WFWMBHCMBDGTFE-HNNXBMFYSA-N 2 2 341.455 3.156 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000352760688 456281502 /nfs/dbraw/zinc/28/15/02/456281502.db2.gz RGGAVLNDLWUQCY-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)cc2Br)C1 ZINC000352760688 456281505 /nfs/dbraw/zinc/28/15/05/456281505.db2.gz RGGAVLNDLWUQCY-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000290308290 456286844 /nfs/dbraw/zinc/28/68/44/456286844.db2.gz BXHHEFGAVQQROO-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000290308290 456286849 /nfs/dbraw/zinc/28/68/49/456286849.db2.gz BXHHEFGAVQQROO-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC[NH+](CC)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000347673190 456296878 /nfs/dbraw/zinc/29/68/78/456296878.db2.gz DGDVXWBZOWRDQY-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cs1 ZINC000290338948 456297114 /nfs/dbraw/zinc/29/71/14/456297114.db2.gz PIZXQLYNTSQSNO-CYBMUJFWSA-N 2 2 334.489 3.028 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340223318 456323304 /nfs/dbraw/zinc/32/33/04/456323304.db2.gz QUHWOSLEMVSRGY-ZWKOTPCHSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000340223318 456323315 /nfs/dbraw/zinc/32/33/15/456323315.db2.gz QUHWOSLEMVSRGY-ZWKOTPCHSA-N 2 2 335.536 3.022 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340256655 456344859 /nfs/dbraw/zinc/34/48/59/456344859.db2.gz QFNSJIJTBZJTLI-FGTMMUONSA-N 2 2 339.487 3.101 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340256655 456344863 /nfs/dbraw/zinc/34/48/63/456344863.db2.gz QFNSJIJTBZJTLI-FGTMMUONSA-N 2 2 339.487 3.101 20 0 EGADLP FC(F)C1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000281881503 456348872 /nfs/dbraw/zinc/34/88/72/456348872.db2.gz GEHGDBWRMVNFAW-UHFFFAOYSA-N 2 2 338.442 3.432 20 0 EGADLP C[C@@H](C[NH2+]Cc1c(F)ccc(Br)c1F)Cn1cc[nH+]c1 ZINC000281881444 456349522 /nfs/dbraw/zinc/34/95/22/456349522.db2.gz DHOYROMRKQHFLR-JTQLQIEISA-N 2 2 344.203 3.350 20 0 EGADLP C[N@@H+]1CCN(CCNc2cc[nH+]c3c(Cl)cccc23)CC1(C)C ZINC000343059970 456379382 /nfs/dbraw/zinc/37/93/82/456379382.db2.gz BZTGZOKSPULZOS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP C[N@H+]1CCN(CCNc2cc[nH+]c3c(Cl)cccc23)CC1(C)C ZINC000343059970 456379387 /nfs/dbraw/zinc/37/93/87/456379387.db2.gz BZTGZOKSPULZOS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP Cc1nnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000276246453 456422621 /nfs/dbraw/zinc/42/26/21/456422621.db2.gz PBAUESDAROBDSA-ZIAGYGMSSA-N 2 2 330.501 3.093 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)n1 ZINC000340390406 456432510 /nfs/dbraw/zinc/43/25/10/456432510.db2.gz RAPATTSVVOYOEO-ZWKOTPCHSA-N 2 2 341.455 3.024 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)n1 ZINC000340390406 456432513 /nfs/dbraw/zinc/43/25/13/456432513.db2.gz RAPATTSVVOYOEO-ZWKOTPCHSA-N 2 2 341.455 3.024 20 0 EGADLP C[C@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000302915321 456435242 /nfs/dbraw/zinc/43/52/42/456435242.db2.gz VOLUOEWDWVROJS-FUHWJXTLSA-N 2 2 337.471 3.152 20 0 EGADLP C[C@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000302915321 456435247 /nfs/dbraw/zinc/43/52/47/456435247.db2.gz VOLUOEWDWVROJS-FUHWJXTLSA-N 2 2 337.471 3.152 20 0 EGADLP CCc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000343152465 456438086 /nfs/dbraw/zinc/43/80/86/456438086.db2.gz HGMFQKQXOMYBMK-UHFFFAOYSA-N 2 2 327.472 3.144 20 0 EGADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)C2 ZINC000290847406 456445360 /nfs/dbraw/zinc/44/53/60/456445360.db2.gz JKJQQORBLABUSR-CYBMUJFWSA-N 2 2 346.862 3.108 20 0 EGADLP CSc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000337641441 456449750 /nfs/dbraw/zinc/44/97/50/456449750.db2.gz FYKBNQNCSHEJEH-UHFFFAOYSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000337641441 456449760 /nfs/dbraw/zinc/44/97/60/456449760.db2.gz FYKBNQNCSHEJEH-UHFFFAOYSA-N 2 2 335.517 3.152 20 0 EGADLP c1ccc(-n2nc(C[NH2+]C3CC[NH+](C4CC4)CC3)c3c2CCC3)cc1 ZINC000298466145 456464956 /nfs/dbraw/zinc/46/49/56/456464956.db2.gz OQXLCWFNZUPPIE-UHFFFAOYSA-N 2 2 336.483 3.077 20 0 EGADLP CCOC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000340464199 456476261 /nfs/dbraw/zinc/47/62/61/456476261.db2.gz JJVOPXHICWPUCE-PKOBYXMFSA-N 2 2 331.504 3.231 20 0 EGADLP CCOC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000340464199 456476265 /nfs/dbraw/zinc/47/62/65/456476265.db2.gz JJVOPXHICWPUCE-PKOBYXMFSA-N 2 2 331.504 3.231 20 0 EGADLP CCCC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000353095968 456486618 /nfs/dbraw/zinc/48/66/18/456486618.db2.gz YHXDEPALZJIKLX-DXTJYYCRSA-N 2 2 349.563 3.266 20 0 EGADLP CCCC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000353095968 456486625 /nfs/dbraw/zinc/48/66/25/456486625.db2.gz YHXDEPALZJIKLX-DXTJYYCRSA-N 2 2 349.563 3.266 20 0 EGADLP Clc1ccc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000303788449 456486825 /nfs/dbraw/zinc/48/68/25/456486825.db2.gz DZGLWDNSLFUUDR-SFHVURJKSA-N 2 2 336.907 3.317 20 0 EGADLP Clc1ccc(CCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000303788449 456486827 /nfs/dbraw/zinc/48/68/27/456486827.db2.gz DZGLWDNSLFUUDR-SFHVURJKSA-N 2 2 336.907 3.317 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000340535749 456516973 /nfs/dbraw/zinc/51/69/73/456516973.db2.gz RARCBNBXYJDWPL-YLJYHZDGSA-N 2 2 341.503 3.118 20 0 EGADLP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000343314569 456525545 /nfs/dbraw/zinc/52/55/45/456525545.db2.gz WPYCILBMTUDASU-HNNXBMFYSA-N 2 2 349.906 3.030 20 0 EGADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)C1CC1 ZINC000343314569 456525548 /nfs/dbraw/zinc/52/55/48/456525548.db2.gz WPYCILBMTUDASU-HNNXBMFYSA-N 2 2 349.906 3.030 20 0 EGADLP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000340583211 456546250 /nfs/dbraw/zinc/54/62/50/456546250.db2.gz JVYYTGHBTKLALV-MRXNPFEDSA-N 2 2 343.298 3.417 20 0 EGADLP Cc1cc(C)cc([C@@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000282548980 456548018 /nfs/dbraw/zinc/54/80/18/456548018.db2.gz XASKZJFDMLDEPK-KRWDZBQOSA-N 2 2 344.421 3.343 20 0 EGADLP COC(=O)CCC[NH+]1CCC(Nc2ccc([NH+]3CCCC3)cc2)CC1 ZINC000291167363 456551684 /nfs/dbraw/zinc/55/16/84/456551684.db2.gz JJMAGYKBMQPMFR-UHFFFAOYSA-N 2 2 345.487 3.116 20 0 EGADLP C[C@@H]([NH2+]C[C@@](C)(CO)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000348253374 456572911 /nfs/dbraw/zinc/57/29/11/456572911.db2.gz DXYSJHYPWDUZAG-UTKZUKDTSA-N 2 2 335.451 3.473 20 0 EGADLP FC(F)(F)CCN1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000291245740 456578509 /nfs/dbraw/zinc/57/85/09/456578509.db2.gz VJWZMVDBNZKFBW-UHFFFAOYSA-N 2 2 344.425 3.280 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261599 456579123 /nfs/dbraw/zinc/57/91/23/456579123.db2.gz HAHNNOBXJDHNRN-VQTJNVASSA-N 2 2 337.467 3.440 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000348261599 456579126 /nfs/dbraw/zinc/57/91/26/456579126.db2.gz HAHNNOBXJDHNRN-VQTJNVASSA-N 2 2 337.467 3.440 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277417 456591852 /nfs/dbraw/zinc/59/18/52/456591852.db2.gz LYOUNLSMDQQXEO-WBVHZDCISA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000348277417 456591859 /nfs/dbraw/zinc/59/18/59/456591859.db2.gz LYOUNLSMDQQXEO-WBVHZDCISA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000348277417 456591863 /nfs/dbraw/zinc/59/18/63/456591863.db2.gz LYOUNLSMDQQXEO-WBVHZDCISA-N 2 2 347.478 3.125 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000348277417 456591871 /nfs/dbraw/zinc/59/18/71/456591871.db2.gz LYOUNLSMDQQXEO-WBVHZDCISA-N 2 2 347.478 3.125 20 0 EGADLP Cn1cc(CC[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348305332 456610124 /nfs/dbraw/zinc/61/01/24/456610124.db2.gz WDHYSMUUDRYLAN-FQEVSTJZSA-N 2 2 340.515 3.025 20 0 EGADLP Cn1cc(CC[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348305332 456610131 /nfs/dbraw/zinc/61/01/31/456610131.db2.gz WDHYSMUUDRYLAN-FQEVSTJZSA-N 2 2 340.515 3.025 20 0 EGADLP CN(CC1([NH+](C)C)CCC1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337974979 456632783 /nfs/dbraw/zinc/63/27/83/456632783.db2.gz AQWBROGSGAFGTQ-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP COc1ccc([C@@H](CN(C)C)[NH2+]CCCc2c[nH+]ccc2C)cc1 ZINC000348345854 456638430 /nfs/dbraw/zinc/63/84/30/456638430.db2.gz QNIJQLGLWOAQEY-HXUWFJFHSA-N 2 2 327.472 3.224 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353323996 456638644 /nfs/dbraw/zinc/63/86/44/456638644.db2.gz SQAFNMSUROOYQI-OAHLLOKOSA-N 2 2 343.475 3.356 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353323996 456638649 /nfs/dbraw/zinc/63/86/49/456638649.db2.gz SQAFNMSUROOYQI-OAHLLOKOSA-N 2 2 343.475 3.356 20 0 EGADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C[C@H]1COc2ccccc2O1 ZINC000353366674 456651867 /nfs/dbraw/zinc/65/18/67/456651867.db2.gz ZLIJVFYHFZGJTE-SFHVURJKSA-N 2 2 326.440 3.485 20 0 EGADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C[C@H]1COc2ccccc2O1 ZINC000353366674 456651871 /nfs/dbraw/zinc/65/18/71/456651871.db2.gz ZLIJVFYHFZGJTE-SFHVURJKSA-N 2 2 326.440 3.485 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277015758 456653010 /nfs/dbraw/zinc/65/30/10/456653010.db2.gz CPSYLAOGPOTBDY-QGZVFWFLSA-N 2 2 341.459 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000353384106 456663252 /nfs/dbraw/zinc/66/32/52/456663252.db2.gz JXMDENAINQNFHO-CZUORRHYSA-N 2 2 334.410 3.205 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000277059178 456667351 /nfs/dbraw/zinc/66/73/51/456667351.db2.gz CZGDWIAOJIYVBP-GOSISDBHSA-N 2 2 347.434 3.211 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccc(F)cc1 ZINC000277059178 456667357 /nfs/dbraw/zinc/66/73/57/456667357.db2.gz CZGDWIAOJIYVBP-GOSISDBHSA-N 2 2 347.434 3.211 20 0 EGADLP COc1ccc(OCc2nc(C[NH2+]C[C@@H](C)C[NH+](C)C)cs2)cc1 ZINC000291713834 456730070 /nfs/dbraw/zinc/73/00/70/456730070.db2.gz LTHWTMGWAAXKRS-CQSZACIVSA-N 2 2 349.500 3.018 20 0 EGADLP Cc1cnc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000353529942 456738243 /nfs/dbraw/zinc/73/82/43/456738243.db2.gz KVTIUFDWDPEULP-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1cnc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000353529942 456738246 /nfs/dbraw/zinc/73/82/46/456738246.db2.gz KVTIUFDWDPEULP-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000353529942 456738254 /nfs/dbraw/zinc/73/82/54/456738254.db2.gz KVTIUFDWDPEULP-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP Cc1cnc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000353529942 456738261 /nfs/dbraw/zinc/73/82/61/456738261.db2.gz KVTIUFDWDPEULP-OAQYLSRUSA-N 2 2 336.483 3.273 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C[NH+]1CCOCC1 ZINC000353535995 456742224 /nfs/dbraw/zinc/74/22/24/456742224.db2.gz LTVCEJZAWLPMQF-OXQOHEQNSA-N 2 2 332.463 3.320 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277252972 456745726 /nfs/dbraw/zinc/74/57/26/456745726.db2.gz QJLWJULRWUNJKP-ZWOKBUDYSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277252972 456745730 /nfs/dbraw/zinc/74/57/30/456745730.db2.gz QJLWJULRWUNJKP-ZWOKBUDYSA-N 2 2 345.531 3.231 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)c1 ZINC000338305111 456762217 /nfs/dbraw/zinc/76/22/17/456762217.db2.gz KPCBPCKBRABCQK-AWEZNQCLSA-N 2 2 325.403 3.038 20 0 EGADLP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1)C(C)C ZINC000353571899 456771223 /nfs/dbraw/zinc/77/12/23/456771223.db2.gz IYVFWTRBEOQDKH-QGZVFWFLSA-N 2 2 337.508 3.067 20 0 EGADLP CC(C)N(C(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1)C(C)C ZINC000353571899 456771229 /nfs/dbraw/zinc/77/12/29/456771229.db2.gz IYVFWTRBEOQDKH-QGZVFWFLSA-N 2 2 337.508 3.067 20 0 EGADLP CC(C)N(C(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1)C(C)C ZINC000353571899 456771236 /nfs/dbraw/zinc/77/12/36/456771236.db2.gz IYVFWTRBEOQDKH-QGZVFWFLSA-N 2 2 337.508 3.067 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000301085652 456792292 /nfs/dbraw/zinc/79/22/92/456792292.db2.gz JDEATLCQEHWDKQ-IYBDPMFKSA-N 2 2 340.471 3.315 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000301085652 456792298 /nfs/dbraw/zinc/79/22/98/456792298.db2.gz JDEATLCQEHWDKQ-IYBDPMFKSA-N 2 2 340.471 3.315 20 0 EGADLP Cc1cc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000301085647 456792872 /nfs/dbraw/zinc/79/28/72/456792872.db2.gz JDEATLCQEHWDKQ-HOTGVXAUSA-N 2 2 340.471 3.315 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646941 456826674 /nfs/dbraw/zinc/82/66/74/456826674.db2.gz FFJRCCXUWKZIHQ-QGZVFWFLSA-N 2 2 330.451 3.318 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646941 456826678 /nfs/dbraw/zinc/82/66/78/456826678.db2.gz FFJRCCXUWKZIHQ-QGZVFWFLSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646941 456826681 /nfs/dbraw/zinc/82/66/81/456826681.db2.gz FFJRCCXUWKZIHQ-QGZVFWFLSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646941 456826684 /nfs/dbraw/zinc/82/66/84/456826684.db2.gz FFJRCCXUWKZIHQ-QGZVFWFLSA-N 2 2 330.451 3.318 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000292015374 456831162 /nfs/dbraw/zinc/83/11/62/456831162.db2.gz DSQVORQUKZYMOZ-YJBOKZPZSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353679555 456850641 /nfs/dbraw/zinc/85/06/41/456850641.db2.gz PGWFSQAQDXJHTG-HOTGVXAUSA-N 2 2 343.475 3.214 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cc2)cs1 ZINC000353682874 456851949 /nfs/dbraw/zinc/85/19/49/456851949.db2.gz DZENYRIZTYWDCD-QFBILLFUSA-N 2 2 343.496 3.214 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)cc2)cs1 ZINC000353682874 456851954 /nfs/dbraw/zinc/85/19/54/456851954.db2.gz DZENYRIZTYWDCD-QFBILLFUSA-N 2 2 343.496 3.214 20 0 EGADLP CC(C)[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1[nH]cc[nH+]1 ZINC000338880710 456866763 /nfs/dbraw/zinc/86/67/63/456866763.db2.gz PCETVJUZLYDPSI-KRWDZBQOSA-N 2 2 335.411 3.097 20 0 EGADLP C[N@H+](CCc1cccc(NC(=O)Cc2cn3ccccc3[nH+]2)c1)C1CC1 ZINC000341521986 456873858 /nfs/dbraw/zinc/87/38/58/456873858.db2.gz FOTKSTVIRZQMLV-UHFFFAOYSA-N 2 2 348.450 3.152 20 0 EGADLP C[N@@H+](CCc1cccc(NC(=O)Cc2cn3ccccc3[nH+]2)c1)C1CC1 ZINC000341521986 456873859 /nfs/dbraw/zinc/87/38/59/456873859.db2.gz FOTKSTVIRZQMLV-UHFFFAOYSA-N 2 2 348.450 3.152 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@H](C)c2ccon2)c1)c1ccon1 ZINC000349200390 456911513 /nfs/dbraw/zinc/91/15/13/456911513.db2.gz NGFGENYXHXVSKU-ZIAGYGMSSA-N 2 2 326.400 3.364 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc12 ZINC000349253753 456925475 /nfs/dbraw/zinc/92/54/75/456925475.db2.gz XGZLFESSIOPYNR-UHFFFAOYSA-N 2 2 349.482 3.363 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc12 ZINC000349253753 456925477 /nfs/dbraw/zinc/92/54/77/456925477.db2.gz XGZLFESSIOPYNR-UHFFFAOYSA-N 2 2 349.482 3.363 20 0 EGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000339069463 456926208 /nfs/dbraw/zinc/92/62/08/456926208.db2.gz VXHYULDZWWPWMQ-LLVKDONJSA-N 2 2 342.274 3.004 20 0 EGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc(Cl)c1Cl ZINC000349315609 456939334 /nfs/dbraw/zinc/93/93/34/456939334.db2.gz LPHHRLMDQIMHBQ-UHFFFAOYSA-N 2 2 336.332 3.124 20 0 EGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1csc(Cl)c1Cl ZINC000349315609 456939329 /nfs/dbraw/zinc/93/93/29/456939329.db2.gz LPHHRLMDQIMHBQ-UHFFFAOYSA-N 2 2 336.332 3.124 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339101998 456941251 /nfs/dbraw/zinc/94/12/51/456941251.db2.gz IKBLTMWGMLRUJG-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339101998 456941252 /nfs/dbraw/zinc/94/12/52/456941252.db2.gz IKBLTMWGMLRUJG-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339101998 456941254 /nfs/dbraw/zinc/94/12/54/456941254.db2.gz IKBLTMWGMLRUJG-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CCC2(OC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000339101998 456941256 /nfs/dbraw/zinc/94/12/56/456941256.db2.gz IKBLTMWGMLRUJG-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP Clc1cccc([C@@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCC2)c1 ZINC000339137877 456958719 /nfs/dbraw/zinc/95/87/19/456958719.db2.gz VQRRDGSAWVJGDY-MRXNPFEDSA-N 2 2 341.846 3.282 20 0 EGADLP Cn1c[nH+]cc1CN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000353947650 456976251 /nfs/dbraw/zinc/97/62/51/456976251.db2.gz OAYYZAWVCDZAIU-UHFFFAOYSA-N 2 2 338.499 3.441 20 0 EGADLP Cn1c[nH+]cc1CN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000353947650 456976254 /nfs/dbraw/zinc/97/62/54/456976254.db2.gz OAYYZAWVCDZAIU-UHFFFAOYSA-N 2 2 338.499 3.441 20 0 EGADLP CC1=C(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177816 456978178 /nfs/dbraw/zinc/97/81/78/456978178.db2.gz WWLIIEAMNPEAGD-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP CC1=C(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177816 456978181 /nfs/dbraw/zinc/97/81/81/456978181.db2.gz WWLIIEAMNPEAGD-VQTJNVASSA-N 2 2 347.547 3.282 20 0 EGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000349527084 456982459 /nfs/dbraw/zinc/98/24/59/456982459.db2.gz SBVNPBMNHGGIDW-UHFFFAOYSA-N 2 2 337.427 3.103 20 0 EGADLP CC(C)C[C@@H]1COCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888330 456988183 /nfs/dbraw/zinc/98/81/83/456988183.db2.gz IYXUSCIYIHIFEW-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@@H]1COCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341888330 456988187 /nfs/dbraw/zinc/98/81/87/456988187.db2.gz IYXUSCIYIHIFEW-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341888330 456988189 /nfs/dbraw/zinc/98/81/89/456988189.db2.gz IYXUSCIYIHIFEW-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC(C)C[C@@H]1COCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341888330 456988193 /nfs/dbraw/zinc/98/81/93/456988193.db2.gz IYXUSCIYIHIFEW-NHCUHLMSSA-N 2 2 346.515 3.024 20 0 EGADLP CC[C@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000339248798 457017492 /nfs/dbraw/zinc/01/74/92/457017492.db2.gz BGZMOJZVSRRNCV-QZTJIDSGSA-N 2 2 340.471 3.374 20 0 EGADLP CC[C@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000339248798 457017498 /nfs/dbraw/zinc/01/74/98/457017498.db2.gz BGZMOJZVSRRNCV-QZTJIDSGSA-N 2 2 340.471 3.374 20 0 EGADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354040647 457027265 /nfs/dbraw/zinc/02/72/65/457027265.db2.gz ZFSDXOSYQXUDSF-IBGZPJMESA-N 2 2 337.552 3.079 20 0 EGADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354040647 457027270 /nfs/dbraw/zinc/02/72/70/457027270.db2.gz ZFSDXOSYQXUDSF-IBGZPJMESA-N 2 2 337.552 3.079 20 0 EGADLP CSCc1cnc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000339264664 457027678 /nfs/dbraw/zinc/02/76/78/457027678.db2.gz MKBYNLIMXUCTBC-UHFFFAOYSA-N 2 2 330.482 3.482 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046623 457031670 /nfs/dbraw/zinc/03/16/70/457031670.db2.gz DXRUWYLIXLWJKM-WOJBJXKFSA-N 2 2 349.563 3.221 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046623 457031677 /nfs/dbraw/zinc/03/16/77/457031677.db2.gz DXRUWYLIXLWJKM-WOJBJXKFSA-N 2 2 349.563 3.221 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087920 457053581 /nfs/dbraw/zinc/05/35/81/457053581.db2.gz HZHMPOGVQZXTKI-WBVHZDCISA-N 2 2 335.517 3.158 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087920 457053586 /nfs/dbraw/zinc/05/35/86/457053586.db2.gz HZHMPOGVQZXTKI-WBVHZDCISA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087920 457053594 /nfs/dbraw/zinc/05/35/94/457053594.db2.gz HZHMPOGVQZXTKI-WBVHZDCISA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000354087920 457053600 /nfs/dbraw/zinc/05/36/00/457053600.db2.gz HZHMPOGVQZXTKI-WBVHZDCISA-N 2 2 335.517 3.158 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362729200 457066122 /nfs/dbraw/zinc/06/61/22/457066122.db2.gz XFMMVHLAOVEUJU-KRWDZBQOSA-N 2 2 337.423 3.184 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000362729200 457066130 /nfs/dbraw/zinc/06/61/30/457066130.db2.gz XFMMVHLAOVEUJU-KRWDZBQOSA-N 2 2 337.423 3.184 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000342066580 457088626 /nfs/dbraw/zinc/08/86/26/457088626.db2.gz UWPUZFDQYFTXLW-CALCHBBNSA-N 2 2 341.503 3.033 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000342066580 457088633 /nfs/dbraw/zinc/08/86/33/457088633.db2.gz UWPUZFDQYFTXLW-CALCHBBNSA-N 2 2 341.503 3.033 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000359515097 457089944 /nfs/dbraw/zinc/08/99/44/457089944.db2.gz RCUPYJXSJQDENZ-HNNXBMFYSA-N 2 2 327.241 3.261 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c[nH+]1 ZINC000354146822 457093653 /nfs/dbraw/zinc/09/36/53/457093653.db2.gz QFQXVJQMWXWCSF-UHFFFAOYSA-N 2 2 337.467 3.235 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cscc3Br)C2)C1 ZINC000354165860 457104630 /nfs/dbraw/zinc/10/46/30/457104630.db2.gz IRRBPRPLQDQMRI-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cscc3Br)C2)C1 ZINC000354165860 457104635 /nfs/dbraw/zinc/10/46/35/457104635.db2.gz IRRBPRPLQDQMRI-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cscc3Br)C2)C1 ZINC000354165860 457104638 /nfs/dbraw/zinc/10/46/38/457104638.db2.gz IRRBPRPLQDQMRI-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cscc3Br)C2)C1 ZINC000354165860 457104641 /nfs/dbraw/zinc/10/46/41/457104641.db2.gz IRRBPRPLQDQMRI-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(Cc4ccccc4)n3)C[C@@H]21 ZINC000342097507 457105860 /nfs/dbraw/zinc/10/58/60/457105860.db2.gz HYMVLONEASXTJR-BPQIPLTHSA-N 2 2 327.497 3.293 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(Cc4ccccc4)n3)C[C@@H]21 ZINC000342097507 457105866 /nfs/dbraw/zinc/10/58/66/457105866.db2.gz HYMVLONEASXTJR-BPQIPLTHSA-N 2 2 327.497 3.293 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439282 457120006 /nfs/dbraw/zinc/12/00/06/457120006.db2.gz SXTCBIBZEMBGPS-SUMWQHHRSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339439282 457120009 /nfs/dbraw/zinc/12/00/09/457120009.db2.gz SXTCBIBZEMBGPS-SUMWQHHRSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339439282 457120015 /nfs/dbraw/zinc/12/00/15/457120015.db2.gz SXTCBIBZEMBGPS-SUMWQHHRSA-N 2 2 332.473 3.277 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339439282 457120018 /nfs/dbraw/zinc/12/00/18/457120018.db2.gz SXTCBIBZEMBGPS-SUMWQHHRSA-N 2 2 332.473 3.277 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354203520 457128951 /nfs/dbraw/zinc/12/89/51/457128951.db2.gz BWMJHMXYYZGMOB-WMZOPIPTSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354203520 457128957 /nfs/dbraw/zinc/12/89/57/457128957.db2.gz BWMJHMXYYZGMOB-WMZOPIPTSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354203520 457128964 /nfs/dbraw/zinc/12/89/64/457128964.db2.gz BWMJHMXYYZGMOB-WMZOPIPTSA-N 2 2 331.504 3.301 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354203520 457128968 /nfs/dbraw/zinc/12/89/68/457128968.db2.gz BWMJHMXYYZGMOB-WMZOPIPTSA-N 2 2 331.504 3.301 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209596 457133546 /nfs/dbraw/zinc/13/35/46/457133546.db2.gz QMMVTHSVELRBDR-RLLQIKCJSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209596 457133555 /nfs/dbraw/zinc/13/35/55/457133555.db2.gz QMMVTHSVELRBDR-RLLQIKCJSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209596 457133561 /nfs/dbraw/zinc/13/35/61/457133561.db2.gz QMMVTHSVELRBDR-RLLQIKCJSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000354209596 457133569 /nfs/dbraw/zinc/13/35/69/457133569.db2.gz QMMVTHSVELRBDR-RLLQIKCJSA-N 2 2 345.531 3.449 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3C[C@@H]3C(F)F)c[nH+]c12 ZINC000342235299 457185086 /nfs/dbraw/zinc/18/50/86/457185086.db2.gz VCTAGVWUFOHXLN-WDEREUQCSA-N 2 2 330.176 3.148 20 0 EGADLP Fc1ccc(CC2([NH2+]CCn3cc[nH+]c3)CCOCC2)c(Cl)c1 ZINC000339672564 457203944 /nfs/dbraw/zinc/20/39/44/457203944.db2.gz QQXIAKIWGNUMMV-UHFFFAOYSA-N 2 2 337.826 3.057 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342301069 457223095 /nfs/dbraw/zinc/22/30/95/457223095.db2.gz BLLZKGKAWMIJIK-YLJYHZDGSA-N 2 2 326.488 3.292 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342301069 457223098 /nfs/dbraw/zinc/22/30/98/457223098.db2.gz BLLZKGKAWMIJIK-YLJYHZDGSA-N 2 2 326.488 3.292 20 0 EGADLP COC1CC[NH+](C2(C[NH2+]CCCc3ccc(C)[nH+]c3)CCCC2)CC1 ZINC000354451033 457231412 /nfs/dbraw/zinc/23/14/12/457231412.db2.gz AAHLPBCMLUBYDO-UHFFFAOYSA-N 3 2 345.531 3.336 20 0 EGADLP CCOC[C@H]1CCC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000354458147 457236205 /nfs/dbraw/zinc/23/62/05/457236205.db2.gz JDZLERZHUFIFML-APWZRJJASA-N 2 2 346.519 3.229 20 0 EGADLP CCOC[C@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000354458150 457237314 /nfs/dbraw/zinc/23/73/14/457237314.db2.gz JDZLERZHUFIFML-VQIMIIECSA-N 2 2 346.519 3.229 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347155273 457260487 /nfs/dbraw/zinc/26/04/87/457260487.db2.gz CPEDVTXENANTQX-PBWFPOADSA-N 2 2 326.387 3.011 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347155273 457260493 /nfs/dbraw/zinc/26/04/93/457260493.db2.gz CPEDVTXENANTQX-PBWFPOADSA-N 2 2 326.387 3.011 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852787 457262043 /nfs/dbraw/zinc/26/20/43/457262043.db2.gz WPYQBBDVOOHSGF-WBVHZDCISA-N 2 2 339.439 3.395 20 0 EGADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000331852787 457262044 /nfs/dbraw/zinc/26/20/44/457262044.db2.gz WPYQBBDVOOHSGF-WBVHZDCISA-N 2 2 339.439 3.395 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000356996874 457265440 /nfs/dbraw/zinc/26/54/40/457265440.db2.gz QYPPOPAYSMKJFS-KBXCAEBGSA-N 2 2 341.434 3.079 20 0 EGADLP CC(C)C[C@H](CN[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)[NH+](C)C ZINC000357003701 457269499 /nfs/dbraw/zinc/26/94/99/457269499.db2.gz ZUYUCQIMKPLZCV-QZTJIDSGSA-N 2 2 332.467 3.215 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000347325472 457353245 /nfs/dbraw/zinc/35/32/45/457353245.db2.gz DUOAQTSFZODBSG-ZSXPUABSSA-N 2 2 345.531 3.475 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000347325472 457353251 /nfs/dbraw/zinc/35/32/51/457353251.db2.gz DUOAQTSFZODBSG-ZSXPUABSSA-N 2 2 345.531 3.475 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447235 457374172 /nfs/dbraw/zinc/37/41/72/457374172.db2.gz JNUVTPRJWSOCAD-YTQUADARSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447235 457374178 /nfs/dbraw/zinc/37/41/78/457374178.db2.gz JNUVTPRJWSOCAD-YTQUADARSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447235 457374185 /nfs/dbraw/zinc/37/41/85/457374185.db2.gz JNUVTPRJWSOCAD-YTQUADARSA-N 2 2 325.456 3.498 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000352447235 457374192 /nfs/dbraw/zinc/37/41/92/457374192.db2.gz JNUVTPRJWSOCAD-YTQUADARSA-N 2 2 325.456 3.498 20 0 EGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000360932930 457442986 /nfs/dbraw/zinc/44/29/86/457442986.db2.gz HTHNBWGOMDGKFW-NRFANRHFSA-N 3 2 338.499 3.335 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCOCC(F)(F)F)[nH+]1 ZINC000369901446 457451489 /nfs/dbraw/zinc/45/14/89/457451489.db2.gz VTYPVZXDRBEHMQ-CQSZACIVSA-N 2 2 331.382 3.235 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCCOCC(F)(F)F)[nH+]1 ZINC000369901446 457451497 /nfs/dbraw/zinc/45/14/97/457451497.db2.gz VTYPVZXDRBEHMQ-CQSZACIVSA-N 2 2 331.382 3.235 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)c1C ZINC000360943334 457451347 /nfs/dbraw/zinc/45/13/47/457451347.db2.gz IXZOXDSBIURGQX-CZUORRHYSA-N 2 2 326.444 3.158 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1C ZINC000360943334 457451356 /nfs/dbraw/zinc/45/13/56/457451356.db2.gz IXZOXDSBIURGQX-CZUORRHYSA-N 2 2 326.444 3.158 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(NC(C)=O)n1 ZINC000360947170 457454379 /nfs/dbraw/zinc/45/43/79/457454379.db2.gz LYUYIMOMLFARMP-GOEBONIOSA-N 2 2 338.521 3.092 20 0 EGADLP CCCOc1c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000352545581 457455974 /nfs/dbraw/zinc/45/59/74/457455974.db2.gz KBMQSQVPAUHXPI-HXUWFJFHSA-N 2 2 332.488 3.450 20 0 EGADLP CCCOc1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cccc1OCC ZINC000352545581 457455981 /nfs/dbraw/zinc/45/59/81/457455981.db2.gz KBMQSQVPAUHXPI-HXUWFJFHSA-N 2 2 332.488 3.450 20 0 EGADLP C[C@@H](C[NH2+]Cc1c(F)cccc1Br)C[NH+]1CCCC1 ZINC000394758701 457473321 /nfs/dbraw/zinc/47/33/21/457473321.db2.gz RNLZXOCXIMMCOS-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000360973886 457480130 /nfs/dbraw/zinc/48/01/30/457480130.db2.gz LDAVIAJYIFQXLX-ZHALLVOQSA-N 2 2 336.520 3.353 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361044363 457538763 /nfs/dbraw/zinc/53/87/63/457538763.db2.gz HXZWPANEQUBEBD-UHFFFAOYSA-N 2 2 340.471 3.322 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000347600677 457539489 /nfs/dbraw/zinc/53/94/89/457539489.db2.gz VNUMGSPXQHRIIH-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000347600677 457539499 /nfs/dbraw/zinc/53/94/99/457539499.db2.gz VNUMGSPXQHRIIH-MSOLQXFVSA-N 2 2 334.467 3.429 20 0 EGADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063688 457557960 /nfs/dbraw/zinc/55/79/60/457557960.db2.gz UOJWIUPEICOBIC-SFHVURJKSA-N 2 2 348.535 3.268 20 0 EGADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccccc1 ZINC000361072242 457562634 /nfs/dbraw/zinc/56/26/34/457562634.db2.gz GEVIHXJWLCBYSX-UHFFFAOYSA-N 2 2 326.444 3.014 20 0 EGADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352737194 457571256 /nfs/dbraw/zinc/57/12/56/457571256.db2.gz JLEBEZWTUGFIOC-UHFFFAOYSA-N 2 2 332.517 3.339 20 0 EGADLP Cc1ccccc1OCCC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347648121 457573565 /nfs/dbraw/zinc/57/35/65/457573565.db2.gz BNKYLVRHTBEEHY-UHFFFAOYSA-N 2 2 333.501 3.414 20 0 EGADLP Cc1ccccc1OCCC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347648121 457573569 /nfs/dbraw/zinc/57/35/69/457573569.db2.gz BNKYLVRHTBEEHY-UHFFFAOYSA-N 2 2 333.501 3.414 20 0 EGADLP CCCCCn1cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)n1 ZINC000352744348 457576371 /nfs/dbraw/zinc/57/63/71/457576371.db2.gz ZVXOMVBKYXHETH-UHFFFAOYSA-N 2 2 335.521 3.190 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361137612 457607891 /nfs/dbraw/zinc/60/78/91/457607891.db2.gz ZNSXZGSWHFQWDC-BBRMVZONSA-N 2 2 334.414 3.110 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2cn(C)nc2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361137612 457607895 /nfs/dbraw/zinc/60/78/95/457607895.db2.gz ZNSXZGSWHFQWDC-BBRMVZONSA-N 2 2 334.414 3.110 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)nc2c1 ZINC000361157310 457620227 /nfs/dbraw/zinc/62/02/27/457620227.db2.gz VVZDRFWDSHUVNO-XLIONFOSSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)nc2c1 ZINC000361157310 457620232 /nfs/dbraw/zinc/62/02/32/457620232.db2.gz VVZDRFWDSHUVNO-XLIONFOSSA-N 2 2 349.482 3.038 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000361216045 457649708 /nfs/dbraw/zinc/64/97/08/457649708.db2.gz LHHOPBFORXVINA-QZTJIDSGSA-N 2 2 349.906 3.037 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000361216045 457649712 /nfs/dbraw/zinc/64/97/12/457649712.db2.gz LHHOPBFORXVINA-QZTJIDSGSA-N 2 2 349.906 3.037 20 0 EGADLP C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357680667 457653508 /nfs/dbraw/zinc/65/35/08/457653508.db2.gz MUOODQOHIGIZAU-KUHUBIRLSA-N 2 2 325.460 3.402 20 0 EGADLP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361325371 457693747 /nfs/dbraw/zinc/69/37/47/457693747.db2.gz SISNAFJGRRJZGK-CYBMUJFWSA-N 2 2 330.394 3.330 20 0 EGADLP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000357820097 457701220 /nfs/dbraw/zinc/70/12/20/457701220.db2.gz SRNBAUPEVPGSFD-PMACEKPBSA-N 2 2 336.483 3.360 20 0 EGADLP Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000357820097 457701225 /nfs/dbraw/zinc/70/12/25/457701225.db2.gz SRNBAUPEVPGSFD-PMACEKPBSA-N 2 2 336.483 3.360 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@@H+]1C1CC1 ZINC000357843508 457709636 /nfs/dbraw/zinc/70/96/36/457709636.db2.gz CRCGPAFTZPSONN-GXTWGEPZSA-N 2 2 343.393 3.084 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1 ZINC000357843508 457709638 /nfs/dbraw/zinc/70/96/38/457709638.db2.gz CRCGPAFTZPSONN-GXTWGEPZSA-N 2 2 343.393 3.084 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccn1 ZINC000357872645 457719687 /nfs/dbraw/zinc/71/96/87/457719687.db2.gz PLZPFNQPXRLSQP-CRAIPNDOSA-N 2 2 342.512 3.199 20 0 EGADLP CSc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccn1 ZINC000357872645 457719691 /nfs/dbraw/zinc/71/96/91/457719691.db2.gz PLZPFNQPXRLSQP-CRAIPNDOSA-N 2 2 342.512 3.199 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000357891286 457725046 /nfs/dbraw/zinc/72/50/46/457725046.db2.gz BQTKYZOEWIMFCJ-HNNXBMFYSA-N 2 2 343.475 3.422 20 0 EGADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021163 457742240 /nfs/dbraw/zinc/74/22/40/457742240.db2.gz MKDVONUTLXCQCW-UZLBHIALSA-N 2 2 326.488 3.043 20 0 EGADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021163 457742243 /nfs/dbraw/zinc/74/22/43/457742243.db2.gz MKDVONUTLXCQCW-UZLBHIALSA-N 2 2 326.488 3.043 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022233 457742876 /nfs/dbraw/zinc/74/28/76/457742876.db2.gz IPEALTVMHYKYJV-CKNLXJGOSA-N 2 2 342.462 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022233 457742879 /nfs/dbraw/zinc/74/28/79/457742879.db2.gz IPEALTVMHYKYJV-CKNLXJGOSA-N 2 2 342.462 3.453 20 0 EGADLP C[N@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000358037095 457747190 /nfs/dbraw/zinc/74/71/90/457747190.db2.gz MDFJLUHSISLRPH-UHFFFAOYSA-N 2 2 340.467 3.367 20 0 EGADLP C[N@@H+](Cc1ccccc1Oc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000358037095 457747193 /nfs/dbraw/zinc/74/71/93/457747193.db2.gz MDFJLUHSISLRPH-UHFFFAOYSA-N 2 2 340.467 3.367 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365383921 457754979 /nfs/dbraw/zinc/75/49/79/457754979.db2.gz WUNQKYMCHIOGER-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365383921 457754981 /nfs/dbraw/zinc/75/49/81/457754981.db2.gz WUNQKYMCHIOGER-ZBFHGGJFSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+](CC)CCOC1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000443513881 457774255 /nfs/dbraw/zinc/77/42/55/457774255.db2.gz XZGNZCIZZAGEIG-UHFFFAOYSA-N 2 2 348.466 3.040 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000411118445 457806745 /nfs/dbraw/zinc/80/67/45/457806745.db2.gz XBDDPVHXGYWJOX-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000411118445 457806750 /nfs/dbraw/zinc/80/67/50/457806750.db2.gz XBDDPVHXGYWJOX-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000371204800 457826300 /nfs/dbraw/zinc/82/63/00/457826300.db2.gz KDZGLFAPEDIXMI-HXUWFJFHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000371204800 457826309 /nfs/dbraw/zinc/82/63/09/457826309.db2.gz KDZGLFAPEDIXMI-HXUWFJFHSA-N 2 2 326.488 3.178 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1C(F)(F)F ZINC000371294723 457853068 /nfs/dbraw/zinc/85/30/68/457853068.db2.gz MRZKURDQSIRQRM-OIISXLGYSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C(F)(F)F ZINC000371294723 457853073 /nfs/dbraw/zinc/85/30/73/457853073.db2.gz MRZKURDQSIRQRM-OIISXLGYSA-N 2 2 342.405 3.389 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(N2CCOC2=O)cc1 ZINC000375268573 457857360 /nfs/dbraw/zinc/85/73/60/457857360.db2.gz NGURWEZDKSJMPX-AWEZNQCLSA-N 2 2 340.427 3.027 20 0 EGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)CC1 ZINC000371342782 457874808 /nfs/dbraw/zinc/87/48/08/457874808.db2.gz ZPASMDQVYZGZPI-UHFFFAOYSA-N 2 2 348.560 3.011 20 0 EGADLP Clc1ccccc1C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444617543 457920136 /nfs/dbraw/zinc/92/01/36/457920136.db2.gz FOPIKGALLMZXJH-UHFFFAOYSA-N 2 2 335.923 3.334 20 0 EGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433992388 457927834 /nfs/dbraw/zinc/92/78/34/457927834.db2.gz ZRIGUFPASRREDQ-SJKOYZFVSA-N 2 2 335.835 3.092 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2occc2C)[C@@H]1c1cnn(C)c1 ZINC000434010845 457931113 /nfs/dbraw/zinc/93/11/13/457931113.db2.gz GHVRAJLMMLPLMU-QFBILLFUSA-N 2 2 330.476 3.227 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2occc2C)[C@@H]1c1cnn(C)c1 ZINC000434010845 457931123 /nfs/dbraw/zinc/93/11/23/457931123.db2.gz GHVRAJLMMLPLMU-QFBILLFUSA-N 2 2 330.476 3.227 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2occc2C)[C@@H]1c1cnn(C)c1 ZINC000434010845 457931130 /nfs/dbraw/zinc/93/11/30/457931130.db2.gz GHVRAJLMMLPLMU-QFBILLFUSA-N 2 2 330.476 3.227 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2occc2C)[C@@H]1c1cnn(C)c1 ZINC000434010845 457931136 /nfs/dbraw/zinc/93/11/36/457931136.db2.gz GHVRAJLMMLPLMU-QFBILLFUSA-N 2 2 330.476 3.227 20 0 EGADLP CC[C@H]1C[C@@H](C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010143 457931459 /nfs/dbraw/zinc/93/14/59/457931459.db2.gz BOFFQMIPANPLOW-LEAZDLGRSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010143 457931463 /nfs/dbraw/zinc/93/14/63/457931463.db2.gz BOFFQMIPANPLOW-LEAZDLGRSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010143 457931468 /nfs/dbraw/zinc/93/14/68/457931468.db2.gz BOFFQMIPANPLOW-LEAZDLGRSA-N 2 2 331.504 3.211 20 0 EGADLP CC[C@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000434010143 457931474 /nfs/dbraw/zinc/93/14/74/457931474.db2.gz BOFFQMIPANPLOW-LEAZDLGRSA-N 2 2 331.504 3.211 20 0 EGADLP CC(C)c1nc(N2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc(C(C)(C)C)[nH+]1 ZINC000434092303 457944830 /nfs/dbraw/zinc/94/48/30/457944830.db2.gz OKXKUCCHLIIGAQ-OAHLLOKOSA-N 2 2 348.535 3.179 20 0 EGADLP CC(C)c1nc(N2CCC([N@H+](C)C[C@@H](C)O)CC2)cc(C(C)(C)C)[nH+]1 ZINC000434092303 457944835 /nfs/dbraw/zinc/94/48/35/457944835.db2.gz OKXKUCCHLIIGAQ-OAHLLOKOSA-N 2 2 348.535 3.179 20 0 EGADLP CCC(C)(C)C1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000375534064 457964828 /nfs/dbraw/zinc/96/48/28/457964828.db2.gz QVPIXABGXDZXNP-YBSITQRDSA-N 2 2 346.519 3.324 20 0 EGADLP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000427270764 457969504 /nfs/dbraw/zinc/96/95/04/457969504.db2.gz XPXCBNYHSYZNIQ-LBPRGKRZSA-N 2 2 331.803 3.465 20 0 EGADLP C[C@H]1C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@H]1[NH3+] ZINC000435368296 458119842 /nfs/dbraw/zinc/11/98/42/458119842.db2.gz AIDZHLOFUNOKQC-SMDDNHRTSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@H]1[NH3+] ZINC000435368296 458119847 /nfs/dbraw/zinc/11/98/47/458119847.db2.gz AIDZHLOFUNOKQC-SMDDNHRTSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435368295 458120387 /nfs/dbraw/zinc/12/03/87/458120387.db2.gz AIDZHLOFUNOKQC-RISCZKNCSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435368295 458120394 /nfs/dbraw/zinc/12/03/94/458120394.db2.gz AIDZHLOFUNOKQC-RISCZKNCSA-N 2 2 349.276 3.008 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000435368566 458120410 /nfs/dbraw/zinc/12/04/10/458120410.db2.gz BIMKMQXGDPEZFE-SFHVURJKSA-N 2 2 326.440 3.197 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCc1ccccc1 ZINC000435368566 458120414 /nfs/dbraw/zinc/12/04/14/458120414.db2.gz BIMKMQXGDPEZFE-SFHVURJKSA-N 2 2 326.440 3.197 20 0 EGADLP CC[C@H](C)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428389531 458133629 /nfs/dbraw/zinc/13/36/29/458133629.db2.gz QFXUQCPQEYGGEE-AWEZNQCLSA-N 2 2 338.521 3.044 20 0 EGADLP CC[C@H](C)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428389531 458133635 /nfs/dbraw/zinc/13/36/35/458133635.db2.gz QFXUQCPQEYGGEE-AWEZNQCLSA-N 2 2 338.521 3.044 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420122 458141456 /nfs/dbraw/zinc/14/14/56/458141456.db2.gz BTTMVEORSKXEIB-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420122 458141461 /nfs/dbraw/zinc/14/14/61/458141461.db2.gz BTTMVEORSKXEIB-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc(C)c(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435421807 458142273 /nfs/dbraw/zinc/14/22/73/458142273.db2.gz JOGAYFAACOAFDA-HNNXBMFYSA-N 2 2 348.541 3.361 20 0 EGADLP Cc1nc(C)c(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435421807 458142278 /nfs/dbraw/zinc/14/22/78/458142278.db2.gz JOGAYFAACOAFDA-HNNXBMFYSA-N 2 2 348.541 3.361 20 0 EGADLP COCc1cccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435438801 458147506 /nfs/dbraw/zinc/14/75/06/458147506.db2.gz RMMOTYZRJHXSCR-GOSISDBHSA-N 2 2 345.512 3.210 20 0 EGADLP COCc1cccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435438801 458147513 /nfs/dbraw/zinc/14/75/13/458147513.db2.gz RMMOTYZRJHXSCR-GOSISDBHSA-N 2 2 345.512 3.210 20 0 EGADLP CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000435611525 458172833 /nfs/dbraw/zinc/17/28/33/458172833.db2.gz BHQRLIMPIXUXKU-QGZVFWFLSA-N 2 2 338.499 3.325 20 0 EGADLP CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[NH2+]CC1 ZINC000435611525 458172839 /nfs/dbraw/zinc/17/28/39/458172839.db2.gz BHQRLIMPIXUXKU-QGZVFWFLSA-N 2 2 338.499 3.325 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000446890856 458242695 /nfs/dbraw/zinc/24/26/95/458242695.db2.gz QDHBJGMNPGAUBP-WIYYLYMNSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000446890856 458242700 /nfs/dbraw/zinc/24/27/00/458242700.db2.gz QDHBJGMNPGAUBP-WIYYLYMNSA-N 3 2 341.543 3.361 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1 ZINC000436278387 458280671 /nfs/dbraw/zinc/28/06/71/458280671.db2.gz DUCDUIOAIONJCM-IBGZPJMESA-N 2 2 325.456 3.325 20 0 EGADLP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000447397687 458293812 /nfs/dbraw/zinc/29/38/12/458293812.db2.gz PYSYBJDXIMFGAH-QGZVFWFLSA-N 2 2 335.455 3.032 20 0 EGADLP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000447397687 458293818 /nfs/dbraw/zinc/29/38/18/458293818.db2.gz PYSYBJDXIMFGAH-QGZVFWFLSA-N 2 2 335.455 3.032 20 0 EGADLP c1cc(C[NH2+]C2CCC3(CCCO3)CC2)cc(C[NH+]2CCOCC2)c1 ZINC000372689902 458318464 /nfs/dbraw/zinc/31/84/64/458318464.db2.gz FYRQOJFDBKCBSH-UHFFFAOYSA-N 2 2 344.499 3.100 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444620 458333765 /nfs/dbraw/zinc/33/37/65/458333765.db2.gz OLVJJWPHKYSDSW-NHCUHLMSSA-N 2 2 346.515 3.072 20 0 EGADLP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCC1 ZINC000429444620 458333770 /nfs/dbraw/zinc/33/37/70/458333770.db2.gz OLVJJWPHKYSDSW-NHCUHLMSSA-N 2 2 346.515 3.072 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000459376099 458350269 /nfs/dbraw/zinc/35/02/69/458350269.db2.gz ZUIMXEQWVANFJQ-MAUKXSAKSA-N 2 2 349.438 3.129 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000459376099 458350272 /nfs/dbraw/zinc/35/02/72/458350272.db2.gz ZUIMXEQWVANFJQ-MAUKXSAKSA-N 2 2 349.438 3.129 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCO[C@H](C(C)(C)C)C2)CCO1 ZINC000447843773 458353706 /nfs/dbraw/zinc/35/37/06/458353706.db2.gz NWCKISQXRSFOFY-OPDSQHBBSA-N 2 2 338.536 3.036 20 0 EGADLP CC(C)(C)[C@@H]1C[NH+](C/C=C\C[N@H+]2CCO[C@H](C(C)(C)C)C2)CCO1 ZINC000447843773 458353712 /nfs/dbraw/zinc/35/37/12/458353712.db2.gz NWCKISQXRSFOFY-OPDSQHBBSA-N 2 2 338.536 3.036 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459413103 458363141 /nfs/dbraw/zinc/36/31/41/458363141.db2.gz NZGSPNVFKOOHRG-KRWDZBQOSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459462376 458380167 /nfs/dbraw/zinc/38/01/67/458380167.db2.gz LFCSHDYEWYLITQ-SFHVURJKSA-N 3 2 338.499 3.231 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459462376 458380172 /nfs/dbraw/zinc/38/01/72/458380172.db2.gz LFCSHDYEWYLITQ-SFHVURJKSA-N 3 2 338.499 3.231 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448033960 458382782 /nfs/dbraw/zinc/38/27/82/458382782.db2.gz ZIAHLAOMTMWQFC-WMLDXEAASA-N 2 2 335.467 3.253 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448033960 458382786 /nfs/dbraw/zinc/38/27/86/458382786.db2.gz ZIAHLAOMTMWQFC-WMLDXEAASA-N 2 2 335.467 3.253 20 0 EGADLP CC(C)(C[NH2+]Cc1cccc(O)c1Br)C[NH+]1CCCC1 ZINC000459530111 458401411 /nfs/dbraw/zinc/40/14/11/458401411.db2.gz RYQQJSYFDBIGMR-UHFFFAOYSA-N 2 2 341.293 3.366 20 0 EGADLP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCO1 ZINC000373202031 458428016 /nfs/dbraw/zinc/42/80/16/458428016.db2.gz MVSICXTUAOCOFF-VQTJNVASSA-N 2 2 331.504 3.229 20 0 EGADLP Clc1cc(Br)ccc1[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423441101 458433871 /nfs/dbraw/zinc/43/38/71/458433871.db2.gz UFZNFYDMDDJOMS-OSRDXIQISA-N 2 2 341.680 3.361 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)CCC[NH2+]1 ZINC000423442648 458433897 /nfs/dbraw/zinc/43/38/97/458433897.db2.gz WWDACLUVZVKZDH-DOMZBBRYSA-N 2 2 332.366 3.004 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423504025 458445069 /nfs/dbraw/zinc/44/50/69/458445069.db2.gz NGNMZBIRYSHVQF-HNAYVOBHSA-N 2 2 325.456 3.256 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000423516803 458449105 /nfs/dbraw/zinc/44/91/05/458449105.db2.gz NQLITIHENKPTHB-RTBURBONSA-N 2 2 347.865 3.062 20 0 EGADLP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)CCC3)cc1 ZINC000423520941 458450403 /nfs/dbraw/zinc/45/04/03/458450403.db2.gz KUAKIPWPRRDPDR-CVEARBPZSA-N 2 2 343.496 3.074 20 0 EGADLP CC(C)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423527747 458452295 /nfs/dbraw/zinc/45/22/95/458452295.db2.gz VXMPADCDAAGJEL-DLBZAZTESA-N 2 2 343.437 3.286 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430560697 458462013 /nfs/dbraw/zinc/46/20/13/458462013.db2.gz XJQALDOLKSBBFR-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430560697 458462016 /nfs/dbraw/zinc/46/20/16/458462016.db2.gz XJQALDOLKSBBFR-JTQLQIEISA-N 2 2 332.275 3.237 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H]1C[NH3+] ZINC000430565099 458462581 /nfs/dbraw/zinc/46/25/81/458462581.db2.gz DTLPWRUKOXPRLI-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H]1C[NH3+] ZINC000430565099 458462586 /nfs/dbraw/zinc/46/25/86/458462586.db2.gz DTLPWRUKOXPRLI-OXQOHEQNSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574846 458463026 /nfs/dbraw/zinc/46/30/26/458463026.db2.gz TUPOBPDAJRCZSO-WBTNSWJXSA-N 2 2 343.471 3.058 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)C1 ZINC000430574846 458463032 /nfs/dbraw/zinc/46/30/32/458463032.db2.gz TUPOBPDAJRCZSO-WBTNSWJXSA-N 2 2 343.471 3.058 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586026 458466741 /nfs/dbraw/zinc/46/67/41/458466741.db2.gz XTVGFDCQAMDRFZ-MSOLQXFVSA-N 2 2 343.515 3.412 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430586026 458466744 /nfs/dbraw/zinc/46/67/44/458466744.db2.gz XTVGFDCQAMDRFZ-MSOLQXFVSA-N 2 2 343.515 3.412 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000430589679 458468440 /nfs/dbraw/zinc/46/84/40/458468440.db2.gz AWLLHMHMQUKYBJ-NRFANRHFSA-N 2 2 339.483 3.179 20 0 EGADLP COc1ccc(C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@@H](C)C2CC2)cc1 ZINC000430595849 458469262 /nfs/dbraw/zinc/46/92/62/458469262.db2.gz INHCFLKHVLQKCM-ZDUSSCGKSA-N 2 2 344.459 3.073 20 0 EGADLP COc1ccc(C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@@H](C)C2CC2)cc1 ZINC000430595849 458469263 /nfs/dbraw/zinc/46/92/63/458469263.db2.gz INHCFLKHVLQKCM-ZDUSSCGKSA-N 2 2 344.459 3.073 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602599 458470152 /nfs/dbraw/zinc/47/01/52/458470152.db2.gz WRQGZGGVYKXQFK-HQRMLTQVSA-N 2 2 337.467 3.426 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602599 458470156 /nfs/dbraw/zinc/47/01/56/458470156.db2.gz WRQGZGGVYKXQFK-HQRMLTQVSA-N 2 2 337.467 3.426 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603392 458470345 /nfs/dbraw/zinc/47/03/45/458470345.db2.gz YOXBAJUJAIVJFY-GJZGRUSLSA-N 2 2 342.462 3.059 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000430603392 458470349 /nfs/dbraw/zinc/47/03/49/458470349.db2.gz YOXBAJUJAIVJFY-GJZGRUSLSA-N 2 2 342.462 3.059 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611872 458472086 /nfs/dbraw/zinc/47/20/86/458472086.db2.gz PXKYFQADMAFIHO-QAPCUYQASA-N 2 2 349.494 3.090 20 0 EGADLP CC(C)(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000430611872 458472088 /nfs/dbraw/zinc/47/20/88/458472088.db2.gz PXKYFQADMAFIHO-QAPCUYQASA-N 2 2 349.494 3.090 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633425 458472709 /nfs/dbraw/zinc/47/27/09/458472709.db2.gz PMTAZAVUFMLNBK-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000430633425 458472712 /nfs/dbraw/zinc/47/27/12/458472712.db2.gz PMTAZAVUFMLNBK-UZLBHIALSA-N 2 2 325.456 3.362 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000459768951 458473652 /nfs/dbraw/zinc/47/36/52/458473652.db2.gz LTXFFWKOKOGOPX-OAHLLOKOSA-N 2 2 329.444 3.282 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC000459768951 458473656 /nfs/dbraw/zinc/47/36/56/458473656.db2.gz LTXFFWKOKOGOPX-OAHLLOKOSA-N 2 2 329.444 3.282 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923654 458506881 /nfs/dbraw/zinc/50/68/81/458506881.db2.gz FRXHQJRZSJREGK-YLJYHZDGSA-N 2 2 337.467 3.264 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430923654 458506884 /nfs/dbraw/zinc/50/68/84/458506884.db2.gz FRXHQJRZSJREGK-YLJYHZDGSA-N 2 2 337.467 3.264 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000430958993 458511137 /nfs/dbraw/zinc/51/11/37/458511137.db2.gz VGWLGYDWLDFAAQ-RDTXWAMCSA-N 2 2 345.874 3.483 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000430958993 458511147 /nfs/dbraw/zinc/51/11/47/458511147.db2.gz VGWLGYDWLDFAAQ-RDTXWAMCSA-N 2 2 345.874 3.483 20 0 EGADLP CCC[N@H+](Cc1nc(-c2ccc(CC)cc2)no1)C1CC[NH2+]CC1 ZINC000431086095 458528077 /nfs/dbraw/zinc/52/80/77/458528077.db2.gz PSVWQUMYNYMUIZ-UHFFFAOYSA-N 2 2 328.460 3.263 20 0 EGADLP CCC[N@@H+](Cc1nc(-c2ccc(CC)cc2)no1)C1CC[NH2+]CC1 ZINC000431086095 458528082 /nfs/dbraw/zinc/52/80/82/458528082.db2.gz PSVWQUMYNYMUIZ-UHFFFAOYSA-N 2 2 328.460 3.263 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000377811226 458537795 /nfs/dbraw/zinc/53/77/95/458537795.db2.gz KJVSCGJSRZENGO-SFHVURJKSA-N 2 2 349.438 3.073 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000377811226 458537796 /nfs/dbraw/zinc/53/77/96/458537796.db2.gz KJVSCGJSRZENGO-SFHVURJKSA-N 2 2 349.438 3.073 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC(F)F ZINC000377827481 458543850 /nfs/dbraw/zinc/54/38/50/458543850.db2.gz XCVDUBLBLXBKPV-ZDUSSCGKSA-N 2 2 337.370 3.020 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1OC(F)F ZINC000377827481 458543855 /nfs/dbraw/zinc/54/38/55/458543855.db2.gz XCVDUBLBLXBKPV-ZDUSSCGKSA-N 2 2 337.370 3.020 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000469223095 458560977 /nfs/dbraw/zinc/56/09/77/458560977.db2.gz YOMIBKMRIVOERG-ZOWXZIJZSA-N 2 2 341.293 3.449 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OC)[C@@H](C)C1 ZINC000469223095 458560982 /nfs/dbraw/zinc/56/09/82/458560982.db2.gz YOMIBKMRIVOERG-ZOWXZIJZSA-N 2 2 341.293 3.449 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000377888416 458564774 /nfs/dbraw/zinc/56/47/74/458564774.db2.gz JNFGCPOCMGFMCC-QGZVFWFLSA-N 2 2 341.455 3.365 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000377888416 458564777 /nfs/dbraw/zinc/56/47/77/458564777.db2.gz JNFGCPOCMGFMCC-QGZVFWFLSA-N 2 2 341.455 3.365 20 0 EGADLP [NH3+][C@@H](CCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CC1CCCCC1 ZINC000424141068 458569105 /nfs/dbraw/zinc/56/91/05/458569105.db2.gz GQNWEQCGIFCCRK-INIZCTEOSA-N 3 2 341.459 3.284 20 0 EGADLP COC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000493800019 458571490 /nfs/dbraw/zinc/57/14/90/458571490.db2.gz XKWIJIDXTGQJNJ-MPGHIAIKSA-N 2 2 340.895 3.116 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867608 458598425 /nfs/dbraw/zinc/59/84/25/458598425.db2.gz UHLSVQDMBQKDHB-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Br)c1OC(F)F ZINC000469867608 458598433 /nfs/dbraw/zinc/59/84/33/458598433.db2.gz UHLSVQDMBQKDHB-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575281 458639012 /nfs/dbraw/zinc/63/90/12/458639012.db2.gz WTBAQZWNABZQBY-RBUKOAKNSA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575281 458639018 /nfs/dbraw/zinc/63/90/18/458639018.db2.gz WTBAQZWNABZQBY-RBUKOAKNSA-N 2 2 348.849 3.225 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286209 458644123 /nfs/dbraw/zinc/64/41/23/458644123.db2.gz XAMOAJFQANHHOT-AEFFLSMTSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286209 458644126 /nfs/dbraw/zinc/64/41/26/458644126.db2.gz XAMOAJFQANHHOT-AEFFLSMTSA-N 2 2 334.504 3.407 20 0 EGADLP CC(C)C1CCC([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000462772341 458652282 /nfs/dbraw/zinc/65/22/82/458652282.db2.gz JQEMOFLMEHHNTO-UHFFFAOYSA-N 3 2 344.547 3.398 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462884117 458664477 /nfs/dbraw/zinc/66/44/77/458664477.db2.gz ZGFAMLSTLHVZOE-CABCVRRESA-N 2 2 341.455 3.036 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462884117 458664480 /nfs/dbraw/zinc/66/44/80/458664480.db2.gz ZGFAMLSTLHVZOE-CABCVRRESA-N 2 2 341.455 3.036 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2[nH+]ccn21 ZINC000456403443 458666569 /nfs/dbraw/zinc/66/65/69/458666569.db2.gz FSRSPBCNNMXKIT-CRAIPNDOSA-N 2 2 338.455 3.305 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000511049344 458777669 /nfs/dbraw/zinc/77/76/69/458777669.db2.gz QQOPRWCSRRQDGX-BHIFYINESA-N 2 2 336.479 3.423 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000511049344 458777673 /nfs/dbraw/zinc/77/76/73/458777673.db2.gz QQOPRWCSRRQDGX-BHIFYINESA-N 2 2 336.479 3.423 20 0 EGADLP CC[N@H+](CCC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1)CC1CC1 ZINC000432781072 458786695 /nfs/dbraw/zinc/78/66/95/458786695.db2.gz MNWNQWOTXLCQBI-UHFFFAOYSA-N 2 2 347.551 3.436 20 0 EGADLP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C(C)(C)C)[nH]2)CC1)CC1CC1 ZINC000432781072 458786697 /nfs/dbraw/zinc/78/66/97/458786697.db2.gz MNWNQWOTXLCQBI-UHFFFAOYSA-N 2 2 347.551 3.436 20 0 EGADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000530578559 458794670 /nfs/dbraw/zinc/79/46/70/458794670.db2.gz CNAWSQIQSGWFOF-GOSISDBHSA-N 2 2 347.422 3.338 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456839199 458796589 /nfs/dbraw/zinc/79/65/89/458796589.db2.gz LZPIMBMXSFGZHD-LJQANCHMSA-N 2 2 325.456 3.398 20 0 EGADLP CCn1nc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c2ccccc21 ZINC000473147073 458820676 /nfs/dbraw/zinc/82/06/76/458820676.db2.gz WFIINVYEENCZDA-KRWDZBQOSA-N 2 2 326.488 3.220 20 0 EGADLP CCn1nc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c2ccccc21 ZINC000473147073 458820681 /nfs/dbraw/zinc/82/06/81/458820681.db2.gz WFIINVYEENCZDA-KRWDZBQOSA-N 2 2 326.488 3.220 20 0 EGADLP CCn1nc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c2ccccc21 ZINC000473147073 458820687 /nfs/dbraw/zinc/82/06/87/458820687.db2.gz WFIINVYEENCZDA-KRWDZBQOSA-N 2 2 326.488 3.220 20 0 EGADLP CCn1nc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c2ccccc21 ZINC000473147073 458820692 /nfs/dbraw/zinc/82/06/92/458820692.db2.gz WFIINVYEENCZDA-KRWDZBQOSA-N 2 2 326.488 3.220 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531145247 458878973 /nfs/dbraw/zinc/87/89/73/458878973.db2.gz ACOCXUUVOUUXRG-INIZCTEOSA-N 2 2 338.455 3.465 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000531145247 458878975 /nfs/dbraw/zinc/87/89/75/458878975.db2.gz ACOCXUUVOUUXRG-INIZCTEOSA-N 2 2 338.455 3.465 20 0 EGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000475149073 458925672 /nfs/dbraw/zinc/92/56/72/458925672.db2.gz BSHGDNZLDSZNNF-QHAWAJNXSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000475149073 458925674 /nfs/dbraw/zinc/92/56/74/458925674.db2.gz BSHGDNZLDSZNNF-QHAWAJNXSA-N 2 2 330.516 3.210 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000441384758 458934371 /nfs/dbraw/zinc/93/43/71/458934371.db2.gz VCQSZLQYWLWKJN-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000441384758 458934376 /nfs/dbraw/zinc/93/43/76/458934376.db2.gz VCQSZLQYWLWKJN-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000441384758 458934380 /nfs/dbraw/zinc/93/43/80/458934380.db2.gz VCQSZLQYWLWKJN-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000441384758 458934386 /nfs/dbraw/zinc/93/43/86/458934386.db2.gz VCQSZLQYWLWKJN-WBVHZDCISA-N 2 2 335.467 3.267 20 0 EGADLP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000556249094 458940902 /nfs/dbraw/zinc/94/09/02/458940902.db2.gz JEJSRJODSMLBJS-IBGZPJMESA-N 2 2 325.456 3.216 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000531715751 458965140 /nfs/dbraw/zinc/96/51/40/458965140.db2.gz QCPOCMPRYRVBOY-PKOBYXMFSA-N 2 2 337.552 3.268 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000531715751 458965144 /nfs/dbraw/zinc/96/51/44/458965144.db2.gz QCPOCMPRYRVBOY-PKOBYXMFSA-N 2 2 337.552 3.268 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000467358787 458969299 /nfs/dbraw/zinc/96/92/99/458969299.db2.gz MCMMFFNQEONWQK-FCHUYYIVSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000467358787 458969309 /nfs/dbraw/zinc/96/93/09/458969309.db2.gz MCMMFFNQEONWQK-FCHUYYIVSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccoc3)CC2)c1 ZINC000531945137 459005151 /nfs/dbraw/zinc/00/51/51/459005151.db2.gz WRBOREPJPUGMBF-SFHVURJKSA-N 2 2 327.472 3.451 20 0 EGADLP CC[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCOCC1 ZINC000531977696 459011053 /nfs/dbraw/zinc/01/10/53/459011053.db2.gz PEIYVJUMRYWRBA-IBGZPJMESA-N 2 2 338.536 3.064 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324059 459014921 /nfs/dbraw/zinc/01/49/21/459014921.db2.gz HNBRVHAZRDMTAN-CVEARBPZSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324059 459014926 /nfs/dbraw/zinc/01/49/26/459014926.db2.gz HNBRVHAZRDMTAN-CVEARBPZSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324059 459014932 /nfs/dbraw/zinc/01/49/32/459014932.db2.gz HNBRVHAZRDMTAN-CVEARBPZSA-N 2 2 330.501 3.361 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)c3cnccn3)C2)s1 ZINC000577324059 459014938 /nfs/dbraw/zinc/01/49/38/459014938.db2.gz HNBRVHAZRDMTAN-CVEARBPZSA-N 2 2 330.501 3.361 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780468 459034800 /nfs/dbraw/zinc/03/48/00/459034800.db2.gz NQWNDZVVDOVZBC-QWHCGFSZSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780468 459034804 /nfs/dbraw/zinc/03/48/04/459034804.db2.gz NQWNDZVVDOVZBC-QWHCGFSZSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000556952705 459036199 /nfs/dbraw/zinc/03/61/99/459036199.db2.gz MPMCMIYVSVMMHX-IFXJQAMLSA-N 2 2 341.430 3.019 20 0 EGADLP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)C[NH+]3CC(C)(C)C3)c2C1 ZINC000567177659 459059314 /nfs/dbraw/zinc/05/93/14/459059314.db2.gz NCUHZVFDDHBOSA-UHFFFAOYSA-N 2 2 329.488 3.329 20 0 EGADLP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[NH+]3CC(C)(C)C3)c2C1 ZINC000567177659 459059318 /nfs/dbraw/zinc/05/93/18/459059318.db2.gz NCUHZVFDDHBOSA-UHFFFAOYSA-N 2 2 329.488 3.329 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000594522589 459080037 /nfs/dbraw/zinc/08/00/37/459080037.db2.gz ZYXLOWRZOSMREY-OKYOBFRVSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000594522589 459080038 /nfs/dbraw/zinc/08/00/38/459080038.db2.gz ZYXLOWRZOSMREY-OKYOBFRVSA-N 2 2 336.520 3.495 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C[NH3+])c1ccc3ccccc3c1)CO2 ZINC000577740070 459086469 /nfs/dbraw/zinc/08/64/69/459086469.db2.gz AUULPKGJVZGOMF-CTNGQTDRSA-N 2 2 348.446 3.442 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765318 459091338 /nfs/dbraw/zinc/09/13/38/459091338.db2.gz YKNBZPPRMMGSQX-APWZRJJASA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765318 459091344 /nfs/dbraw/zinc/09/13/44/459091344.db2.gz YKNBZPPRMMGSQX-APWZRJJASA-N 2 2 337.467 3.028 20 0 EGADLP Cc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000567456310 459109284 /nfs/dbraw/zinc/10/92/84/459109284.db2.gz HZQLJXLITKWSQL-SJORKVTESA-N 2 2 326.444 3.009 20 0 EGADLP Cc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000567456310 459109287 /nfs/dbraw/zinc/10/92/87/459109287.db2.gz HZQLJXLITKWSQL-SJORKVTESA-N 2 2 326.444 3.009 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1 ZINC000577913359 459116564 /nfs/dbraw/zinc/11/65/64/459116564.db2.gz FZFCGCBSCMTGOE-ZDUSSCGKSA-N 2 2 326.375 3.266 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CCO)C1CCCCC1 ZINC000479620804 459154405 /nfs/dbraw/zinc/15/44/05/459154405.db2.gz ZFFLOHLSOHDLCY-JRGCBEDISA-N 2 2 330.516 3.428 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H](CCO)C1CCCCC1 ZINC000479620804 459154408 /nfs/dbraw/zinc/15/44/08/459154408.db2.gz ZFFLOHLSOHDLCY-JRGCBEDISA-N 2 2 330.516 3.428 20 0 EGADLP c1cnn(-c2cccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)c2)c1 ZINC000521511878 459158616 /nfs/dbraw/zinc/15/86/16/459158616.db2.gz FCALUPCBSIRTPE-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480254945 459189769 /nfs/dbraw/zinc/18/97/69/459189769.db2.gz BXZIIJDKHHAVHK-ZNMIVQPWSA-N 2 2 340.895 3.499 20 0 EGADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000480254945 459189775 /nfs/dbraw/zinc/18/97/75/459189775.db2.gz BXZIIJDKHHAVHK-ZNMIVQPWSA-N 2 2 340.895 3.499 20 0 EGADLP COc1cc(F)c(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000568030407 459210562 /nfs/dbraw/zinc/21/05/62/459210562.db2.gz UQTIQJJCJASICY-UHFFFAOYSA-N 2 2 343.402 3.442 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310481 459218826 /nfs/dbraw/zinc/21/88/26/459218826.db2.gz QNGDDGRBADGWAU-NBHGPNQESA-N 2 2 343.515 3.059 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310481 459218828 /nfs/dbraw/zinc/21/88/28/459218828.db2.gz QNGDDGRBADGWAU-NBHGPNQESA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310481 459218830 /nfs/dbraw/zinc/21/88/30/459218830.db2.gz QNGDDGRBADGWAU-NBHGPNQESA-N 2 2 343.515 3.059 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@@H]1C ZINC000533310481 459218833 /nfs/dbraw/zinc/21/88/33/459218833.db2.gz QNGDDGRBADGWAU-NBHGPNQESA-N 2 2 343.515 3.059 20 0 EGADLP CC1=CC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000559912413 459284560 /nfs/dbraw/zinc/28/45/60/459284560.db2.gz ZSJXVBDZSSMZBY-MRXNPFEDSA-N 2 2 340.471 3.348 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000582181810 459321872 /nfs/dbraw/zinc/32/18/72/459321872.db2.gz SIFXZAIOKXBMLW-GXTWGEPZSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000582181810 459321880 /nfs/dbraw/zinc/32/18/80/459321880.db2.gz SIFXZAIOKXBMLW-GXTWGEPZSA-N 2 2 334.851 3.046 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1)C(C)C ZINC000523778620 459331033 /nfs/dbraw/zinc/33/10/33/459331033.db2.gz XJIREYOVHVOHSM-UHFFFAOYSA-N 2 2 342.487 3.324 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1)C(C)C ZINC000523778620 459331036 /nfs/dbraw/zinc/33/10/36/459331036.db2.gz XJIREYOVHVOHSM-UHFFFAOYSA-N 2 2 342.487 3.324 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496840076 459342357 /nfs/dbraw/zinc/34/23/57/459342357.db2.gz OOHKADYDAJDRSP-GDBMZVCRSA-N 2 2 348.491 3.097 20 0 EGADLP CCC(CC)[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000568790683 459346898 /nfs/dbraw/zinc/34/68/98/459346898.db2.gz LBJKAHCELOYUCA-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP CCC(CC)[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000568790683 459346907 /nfs/dbraw/zinc/34/69/07/459346907.db2.gz LBJKAHCELOYUCA-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP CCc1cc(NCC2([NH+](C)C)CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000524685743 459380274 /nfs/dbraw/zinc/38/02/74/459380274.db2.gz TVMGEXPLQZIGCQ-UHFFFAOYSA-N 2 2 339.487 3.199 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000582976851 459460905 /nfs/dbraw/zinc/46/09/05/459460905.db2.gz VIIDPWJKGITSLG-IAGOWNOFSA-N 2 2 347.503 3.122 20 0 EGADLP O[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000486176525 459491805 /nfs/dbraw/zinc/49/18/05/459491805.db2.gz VMRKXTDSCFAXOQ-VQTJNVASSA-N 2 2 344.886 3.476 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509145 /nfs/dbraw/zinc/50/91/45/459509145.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509150 /nfs/dbraw/zinc/50/91/50/459509150.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509153 /nfs/dbraw/zinc/50/91/53/459509153.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 3 2 341.543 3.219 20 0 EGADLP C[C@@H]1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000541904560 459509159 /nfs/dbraw/zinc/50/91/59/459509159.db2.gz ROLGYZFQQDINPX-ZHHKINOHSA-N 3 2 341.543 3.219 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000569839331 459519614 /nfs/dbraw/zinc/51/96/14/459519614.db2.gz ACONPPPBWJCWAA-INIZCTEOSA-N 2 2 333.439 3.044 20 0 EGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000569839331 459519622 /nfs/dbraw/zinc/51/96/22/459519622.db2.gz ACONPPPBWJCWAA-INIZCTEOSA-N 2 2 333.439 3.044 20 0 EGADLP C[C@H]1CCCC[C@@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000542690443 459582420 /nfs/dbraw/zinc/58/24/20/459582420.db2.gz BVNJVPRBSLZMAW-RDJZCZTQSA-N 2 2 342.487 3.428 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824336 459606906 /nfs/dbraw/zinc/60/69/06/459606906.db2.gz DLHKYNSGRVVMOE-RBUKOAKNSA-N 2 2 337.552 3.125 20 0 EGADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498824336 459606910 /nfs/dbraw/zinc/60/69/10/459606910.db2.gz DLHKYNSGRVVMOE-RBUKOAKNSA-N 2 2 337.552 3.125 20 0 EGADLP C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000562661530 459614661 /nfs/dbraw/zinc/61/46/61/459614661.db2.gz NIYLSGHHDLNAKR-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCC[C@H](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000562661530 459614666 /nfs/dbraw/zinc/61/46/66/459614666.db2.gz NIYLSGHHDLNAKR-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP c1nc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000527240723 459614939 /nfs/dbraw/zinc/61/49/39/459614939.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000527240723 459614945 /nfs/dbraw/zinc/61/49/45/459614945.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000527240723 459614949 /nfs/dbraw/zinc/61/49/49/459614949.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC000527240723 459614952 /nfs/dbraw/zinc/61/49/52/459614952.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000527240723 459614956 /nfs/dbraw/zinc/61/49/56/459614956.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000527240723 459614961 /nfs/dbraw/zinc/61/49/61/459614961.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000527240723 459614966 /nfs/dbraw/zinc/61/49/66/459614966.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2[nH]1 ZINC000527240723 459614972 /nfs/dbraw/zinc/61/49/72/459614972.db2.gz QKZPHHJHXBWFPJ-KDURUIRLSA-N 2 2 332.451 3.127 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1)C[NH+]1CCOCC1 ZINC000573283691 459653609 /nfs/dbraw/zinc/65/36/09/459653609.db2.gz YVKXDNVLRXNHAH-MOPGFXCFSA-N 2 2 330.516 3.445 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000584239740 459689139 /nfs/dbraw/zinc/68/91/39/459689139.db2.gz KSTWHRJOWMNICK-DLBZAZTESA-N 2 2 328.500 3.421 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccsc2C(F)(F)F)CCCO1 ZINC000527702634 459706956 /nfs/dbraw/zinc/70/69/56/459706956.db2.gz ZKKOWXYWBQXKLC-GFCCVEGCSA-N 2 2 336.423 3.357 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2C(F)(F)F)CCCO1 ZINC000527702634 459706960 /nfs/dbraw/zinc/70/69/60/459706960.db2.gz ZKKOWXYWBQXKLC-GFCCVEGCSA-N 2 2 336.423 3.357 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856665 459707420 /nfs/dbraw/zinc/70/74/20/459707420.db2.gz RBYFQOSITPKHHW-WOJBJXKFSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856665 459707421 /nfs/dbraw/zinc/70/74/21/459707421.db2.gz RBYFQOSITPKHHW-WOJBJXKFSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543856665 459707428 /nfs/dbraw/zinc/70/74/28/459707428.db2.gz RBYFQOSITPKHHW-WOJBJXKFSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@@H](CC(C)C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543856665 459707431 /nfs/dbraw/zinc/70/74/31/459707431.db2.gz RBYFQOSITPKHHW-WOJBJXKFSA-N 2 2 346.515 3.418 20 0 EGADLP Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000584346889 459716273 /nfs/dbraw/zinc/71/62/73/459716273.db2.gz LEHWOFYSFIBYIR-QFUCXCTJSA-N 2 2 342.483 3.016 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000563135117 459722360 /nfs/dbraw/zinc/72/23/60/459722360.db2.gz FXDBMFAMTWJYBU-LSDHHAIUSA-N 2 2 338.879 3.179 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000563135117 459722365 /nfs/dbraw/zinc/72/23/65/459722365.db2.gz FXDBMFAMTWJYBU-LSDHHAIUSA-N 2 2 338.879 3.179 20 0 EGADLP CC(C)OC[C@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000501424497 459726267 /nfs/dbraw/zinc/72/62/67/459726267.db2.gz PMLFOQBXRZYLTD-KRWDZBQOSA-N 2 2 326.525 3.203 20 0 EGADLP CC(C)OC[C@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000501424497 459726270 /nfs/dbraw/zinc/72/62/70/459726270.db2.gz PMLFOQBXRZYLTD-KRWDZBQOSA-N 2 2 326.525 3.203 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000566084239 459802222 /nfs/dbraw/zinc/80/22/22/459802222.db2.gz HJQLCSIIZWMCMT-RTBURBONSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000566084239 459802227 /nfs/dbraw/zinc/80/22/27/459802227.db2.gz HJQLCSIIZWMCMT-RTBURBONSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000566084237 459802335 /nfs/dbraw/zinc/80/23/35/459802335.db2.gz HJQLCSIIZWMCMT-OALUTQOASA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000566084237 459802339 /nfs/dbraw/zinc/80/23/39/459802339.db2.gz HJQLCSIIZWMCMT-OALUTQOASA-N 2 2 349.563 3.221 20 0 EGADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000566257683 459830852 /nfs/dbraw/zinc/83/08/52/459830852.db2.gz LJPDEKZHNFAKLE-CABCVRRESA-N 2 2 342.487 3.326 20 0 EGADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)s2)c1 ZINC000574533016 459831291 /nfs/dbraw/zinc/83/12/91/459831291.db2.gz WYHUCBGLSWDLPO-HNNXBMFYSA-N 2 2 347.484 3.090 20 0 EGADLP c1coc(-c2ncc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)s2)c1 ZINC000574533016 459831294 /nfs/dbraw/zinc/83/12/94/459831294.db2.gz WYHUCBGLSWDLPO-HNNXBMFYSA-N 2 2 347.484 3.090 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000566417831 459863753 /nfs/dbraw/zinc/86/37/53/459863753.db2.gz ZDAHPYYLITXLQX-IRXDYDNUSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1Oc1ccccc1 ZINC000566417831 459863760 /nfs/dbraw/zinc/86/37/60/459863760.db2.gz ZDAHPYYLITXLQX-IRXDYDNUSA-N 2 2 328.456 3.442 20 0 EGADLP CCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689941 459971520 /nfs/dbraw/zinc/97/15/20/459971520.db2.gz TWXZJINZVBDIIL-GOSISDBHSA-N 2 2 337.467 3.482 20 0 EGADLP CCCc1[nH+]c2ccccc2n1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588689941 459971522 /nfs/dbraw/zinc/97/15/22/459971522.db2.gz TWXZJINZVBDIIL-GOSISDBHSA-N 2 2 337.467 3.482 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575427397 459972815 /nfs/dbraw/zinc/97/28/15/459972815.db2.gz PZKVQHHSSJHCKJ-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000575427397 459972820 /nfs/dbraw/zinc/97/28/20/459972820.db2.gz PZKVQHHSSJHCKJ-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP C[C@H](C[S@](C)=O)[N@@H+](C)[C@H]1CC[NH+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616591 460025015 /nfs/dbraw/zinc/02/50/15/460025015.db2.gz WDFPFEFIJOBBTK-YBBCZWHLSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616591 460025018 /nfs/dbraw/zinc/02/50/18/460025018.db2.gz WDFPFEFIJOBBTK-YBBCZWHLSA-N 2 2 334.529 3.053 20 0 EGADLP C[C@H](C[S@](C)=O)[NH+](C)[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602616591 460025026 /nfs/dbraw/zinc/02/50/26/460025026.db2.gz WDFPFEFIJOBBTK-YBBCZWHLSA-N 2 2 334.529 3.053 20 0 EGADLP Cn1nc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000589644870 460122066 /nfs/dbraw/zinc/12/20/66/460122066.db2.gz KJCNVSURYFQWIN-UHFFFAOYSA-N 2 2 348.494 3.500 20 0 EGADLP Cn1nc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000589644870 460122072 /nfs/dbraw/zinc/12/20/72/460122072.db2.gz KJCNVSURYFQWIN-UHFFFAOYSA-N 2 2 348.494 3.500 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004895 460158228 /nfs/dbraw/zinc/15/82/28/460158228.db2.gz WCWKLVRQHCCDQT-WFASDCNBSA-N 2 2 332.341 3.080 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004895 460158231 /nfs/dbraw/zinc/15/82/31/460158231.db2.gz WCWKLVRQHCCDQT-WFASDCNBSA-N 2 2 332.341 3.080 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544741 460202288 /nfs/dbraw/zinc/20/22/88/460202288.db2.gz AEERAMBTKDTKEW-UHFFFAOYSA-N 2 2 331.504 3.064 20 0 EGADLP COC(=O)CCCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000599390100 460244856 /nfs/dbraw/zinc/24/48/56/460244856.db2.gz FCHAZGCGAGFYJK-UHFFFAOYSA-N 2 2 329.444 3.325 20 0 EGADLP Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000615308362 460307548 /nfs/dbraw/zinc/30/75/48/460307548.db2.gz MHWDLLOMAVEQFX-YJBOKZPZSA-N 2 2 339.439 3.347 20 0 EGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000615316500 460308936 /nfs/dbraw/zinc/30/89/36/460308936.db2.gz SYKNFQDLSJYMAC-LSDHHAIUSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000615316500 460308941 /nfs/dbraw/zinc/30/89/41/460308941.db2.gz SYKNFQDLSJYMAC-LSDHHAIUSA-N 2 2 328.460 3.461 20 0 EGADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C2CC2)CC1 ZINC000603556790 460321514 /nfs/dbraw/zinc/32/15/14/460321514.db2.gz MHBHFJBZSOWTCJ-FAFZWHIHSA-N 2 2 344.503 3.090 20 0 EGADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C2CC2)CC1 ZINC000603556790 460321517 /nfs/dbraw/zinc/32/15/17/460321517.db2.gz MHBHFJBZSOWTCJ-FAFZWHIHSA-N 2 2 344.503 3.090 20 0 EGADLP CC[N@H+](Cc1csc(NC(C)=O)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061972 460357816 /nfs/dbraw/zinc/35/78/16/460357816.db2.gz BFAKWUYYWFYGRX-UHFFFAOYSA-N 2 2 346.500 3.185 20 0 EGADLP CC[N@@H+](Cc1csc(NC(C)=O)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061972 460357818 /nfs/dbraw/zinc/35/78/18/460357818.db2.gz BFAKWUYYWFYGRX-UHFFFAOYSA-N 2 2 346.500 3.185 20 0 EGADLP CCCn1c(C)nnc1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063333 460359483 /nfs/dbraw/zinc/35/94/83/460359483.db2.gz ZRJXFQJEZYABLI-UHFFFAOYSA-N 2 2 329.492 3.080 20 0 EGADLP CC[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063189 460359821 /nfs/dbraw/zinc/35/98/21/460359821.db2.gz VCAXDTJGCLMXNY-UHFFFAOYSA-N 2 2 349.482 3.351 20 0 EGADLP CC[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063189 460359825 /nfs/dbraw/zinc/35/98/25/460359825.db2.gz VCAXDTJGCLMXNY-UHFFFAOYSA-N 2 2 349.482 3.351 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000628476526 460431541 /nfs/dbraw/zinc/43/15/41/460431541.db2.gz VJLPXQYXDGLHKM-UHFFFAOYSA-N 2 2 345.512 3.373 20 0 EGADLP c1cnc2c(c1)[C@H]([NH2+]CC1([NH+]3CCSCC3)CCCC1)CCC2 ZINC000631566900 460447351 /nfs/dbraw/zinc/44/73/51/460447351.db2.gz UGWKAJSYNDINEG-GOSISDBHSA-N 2 2 331.529 3.410 20 0 EGADLP O=C(CCCn1cc[nH+]c1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000623242500 460461071 /nfs/dbraw/zinc/46/10/71/460461071.db2.gz RFZBJUSSWHQCBX-UHFFFAOYSA-N 2 2 337.427 3.378 20 0 EGADLP CC1(C)C[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000634680292 460473360 /nfs/dbraw/zinc/47/33/60/460473360.db2.gz PKVUVMXAEDTHKA-MRXNPFEDSA-N 2 2 326.550 3.285 20 0 EGADLP COc1cccc2c1OCCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000631626391 460477639 /nfs/dbraw/zinc/47/76/39/460477639.db2.gz ROIDHNMZPXXQLC-MRXNPFEDSA-N 2 2 327.428 3.232 20 0 EGADLP CC1(C)CCC[C@](O)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000631678632 460504819 /nfs/dbraw/zinc/50/48/19/460504819.db2.gz GIWDJUCWOGRWHJ-HXUWFJFHSA-N 2 2 331.504 3.361 20 0 EGADLP c1cn(-c2cc(NC[C@H]3CCC[N@@H+]3CC3CCCCC3)ncn2)c[nH+]1 ZINC000607145702 460797877 /nfs/dbraw/zinc/79/78/77/460797877.db2.gz UDVDYDPQWURTKT-QGZVFWFLSA-N 2 2 340.475 3.119 20 0 EGADLP c1cn(-c2cc(NC[C@H]3CCC[N@H+]3CC3CCCCC3)ncn2)c[nH+]1 ZINC000607145702 460797886 /nfs/dbraw/zinc/79/78/86/460797886.db2.gz UDVDYDPQWURTKT-QGZVFWFLSA-N 2 2 340.475 3.119 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559021 460807743 /nfs/dbraw/zinc/80/77/43/460807743.db2.gz BZWOSMPIZOGUED-CABCVRRESA-N 2 2 329.410 3.473 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629559021 460807750 /nfs/dbraw/zinc/80/77/50/460807750.db2.gz BZWOSMPIZOGUED-CABCVRRESA-N 2 2 329.410 3.473 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477405 460817803 /nfs/dbraw/zinc/81/78/03/460817803.db2.gz SAMVNFGJWBDWJA-SJLPKXTDSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)(C)C ZINC000601477405 460817809 /nfs/dbraw/zinc/81/78/09/460817809.db2.gz SAMVNFGJWBDWJA-SJLPKXTDSA-N 2 2 337.552 3.076 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000607358455 460829921 /nfs/dbraw/zinc/82/99/21/460829921.db2.gz GBIBDIZUNRRGOI-LJQANCHMSA-N 2 2 339.568 3.181 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000607358455 460829931 /nfs/dbraw/zinc/82/99/31/460829931.db2.gz GBIBDIZUNRRGOI-LJQANCHMSA-N 2 2 339.568 3.181 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358455 460829939 /nfs/dbraw/zinc/82/99/39/460829939.db2.gz GBIBDIZUNRRGOI-LJQANCHMSA-N 2 2 339.568 3.181 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358455 460829946 /nfs/dbraw/zinc/82/99/46/460829946.db2.gz GBIBDIZUNRRGOI-LJQANCHMSA-N 2 2 339.568 3.181 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657247 460850494 /nfs/dbraw/zinc/85/04/94/460850494.db2.gz VFMCYXXYCOJRPV-CMPLNLGQSA-N 2 2 335.439 3.400 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629657247 460850499 /nfs/dbraw/zinc/85/04/99/460850499.db2.gz VFMCYXXYCOJRPV-CMPLNLGQSA-N 2 2 335.439 3.400 20 0 EGADLP C[NH+](C)Cc1cccc(-c2cnn(Cc3[nH+]ccn3C(F)F)c2)c1 ZINC000629706222 460878468 /nfs/dbraw/zinc/87/84/68/460878468.db2.gz GNUPJRIHEYINAW-UHFFFAOYSA-N 2 2 331.370 3.252 20 0 EGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751563 460899144 /nfs/dbraw/zinc/89/91/44/460899144.db2.gz JOOZBCGJAZBQGJ-OXAFFQKASA-N 2 2 332.532 3.247 20 0 EGADLP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751563 460899149 /nfs/dbraw/zinc/89/91/49/460899149.db2.gz JOOZBCGJAZBQGJ-OXAFFQKASA-N 2 2 332.532 3.247 20 0 EGADLP CCOc1cncc(C[NH2+]CC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000621327259 460989879 /nfs/dbraw/zinc/98/98/79/460989879.db2.gz HOBUTAYJQFQSQA-UHFFFAOYSA-N 2 2 339.483 3.407 20 0 EGADLP CCOc1cncc(C[NH2+]CC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000621327259 460989884 /nfs/dbraw/zinc/98/98/84/460989884.db2.gz HOBUTAYJQFQSQA-UHFFFAOYSA-N 2 2 339.483 3.407 20 0 EGADLP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ncc1Br ZINC000628259572 461064962 /nfs/dbraw/zinc/06/49/62/461064962.db2.gz ZFHHRXJKNOXPRT-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ncc1Br ZINC000628259572 461064964 /nfs/dbraw/zinc/06/49/64/461064964.db2.gz ZFHHRXJKNOXPRT-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000637894771 461110605 /nfs/dbraw/zinc/11/06/05/461110605.db2.gz IHBIOCNMGXSVCQ-JKSUJKDBSA-N 2 2 348.878 3.043 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665554868 461123835 /nfs/dbraw/zinc/12/38/35/461123835.db2.gz UEUNTURBEBMKDL-HOTGVXAUSA-N 2 2 347.507 3.012 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665554868 461123846 /nfs/dbraw/zinc/12/38/46/461123846.db2.gz UEUNTURBEBMKDL-HOTGVXAUSA-N 2 2 347.507 3.012 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352082 461146588 /nfs/dbraw/zinc/14/65/88/461146588.db2.gz BXUUTJLPSZKLSW-LIRRHRJNSA-N 2 2 343.496 3.380 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cs1 ZINC000652352082 461146592 /nfs/dbraw/zinc/14/65/92/461146592.db2.gz BXUUTJLPSZKLSW-LIRRHRJNSA-N 2 2 343.496 3.380 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@H]1CC[NH3+] ZINC000652355936 461151266 /nfs/dbraw/zinc/15/12/66/461151266.db2.gz NJGLAJXZGWUJJW-CJNGLKHVSA-N 2 2 347.894 3.085 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@H]1CC[NH3+] ZINC000652355936 461151276 /nfs/dbraw/zinc/15/12/76/461151276.db2.gz NJGLAJXZGWUJJW-CJNGLKHVSA-N 2 2 347.894 3.085 20 0 EGADLP CC[C@@H](C)[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983383 461172197 /nfs/dbraw/zinc/17/21/97/461172197.db2.gz NXXHBCCYTYDFAL-XLIONFOSSA-N 2 2 333.520 3.081 20 0 EGADLP CC[C@@H](C)[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)OC ZINC000637983383 461172210 /nfs/dbraw/zinc/17/22/10/461172210.db2.gz NXXHBCCYTYDFAL-XLIONFOSSA-N 2 2 333.520 3.081 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1C ZINC000668216236 461185082 /nfs/dbraw/zinc/18/50/82/461185082.db2.gz XSEQZUJDSHOLPA-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)n1C ZINC000668216236 461185088 /nfs/dbraw/zinc/18/50/88/461185088.db2.gz XSEQZUJDSHOLPA-CQSZACIVSA-N 2 2 334.261 3.481 20 0 EGADLP CC[C@H](OCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000649585937 461195461 /nfs/dbraw/zinc/19/54/61/461195461.db2.gz LJGWHLBBCOPIMD-IBGZPJMESA-N 2 2 340.471 3.075 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)c1 ZINC000638058762 461221308 /nfs/dbraw/zinc/22/13/08/461221308.db2.gz XEJSTTODVDRHFP-HSTAZWAASA-N 2 2 341.543 3.337 20 0 EGADLP Cc1cc(C)c(/C=C/C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000638058762 461221319 /nfs/dbraw/zinc/22/13/19/461221319.db2.gz XEJSTTODVDRHFP-HSTAZWAASA-N 2 2 341.543 3.337 20 0 EGADLP COc1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000638065904 461224001 /nfs/dbraw/zinc/22/40/01/461224001.db2.gz CIZYKZNQJAEDLG-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000638065904 461224007 /nfs/dbraw/zinc/22/40/07/461224007.db2.gz CIZYKZNQJAEDLG-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000638065904 461224014 /nfs/dbraw/zinc/22/40/14/461224014.db2.gz CIZYKZNQJAEDLG-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP COc1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638065904 461224022 /nfs/dbraw/zinc/22/40/22/461224022.db2.gz CIZYKZNQJAEDLG-MRXNPFEDSA-N 2 2 331.485 3.106 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108903 461243646 /nfs/dbraw/zinc/24/36/46/461243646.db2.gz BUFMQGFGPRBWHF-PKOBYXMFSA-N 2 2 334.504 3.143 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108903 461243655 /nfs/dbraw/zinc/24/36/55/461243655.db2.gz BUFMQGFGPRBWHF-PKOBYXMFSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108903 461243665 /nfs/dbraw/zinc/24/36/65/461243665.db2.gz BUFMQGFGPRBWHF-PKOBYXMFSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108903 461243675 /nfs/dbraw/zinc/24/36/75/461243675.db2.gz BUFMQGFGPRBWHF-PKOBYXMFSA-N 2 2 334.504 3.143 20 0 EGADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000646476468 461286721 /nfs/dbraw/zinc/28/67/21/461286721.db2.gz SBOAJLLMJTYDIW-KDOFPFPSSA-N 2 2 325.412 3.039 20 0 EGADLP CC(C)Oc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655690557 461363516 /nfs/dbraw/zinc/36/35/16/461363516.db2.gz DERYSBDXEMAKHH-QFBILLFUSA-N 2 2 332.488 3.378 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C[C@@H](C)O1 ZINC000638320352 461366844 /nfs/dbraw/zinc/36/68/44/461366844.db2.gz ZRJDEWZSRDCOSL-ZIAGYGMSSA-N 2 2 349.425 3.102 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCS2 ZINC000655701012 461371448 /nfs/dbraw/zinc/37/14/48/461371448.db2.gz OPPNKRSKRLIQFF-DOTOQJQBSA-N 2 2 336.476 3.206 20 0 EGADLP Fc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000655713438 461383259 /nfs/dbraw/zinc/38/32/59/461383259.db2.gz MLULVCIDBYCFTL-INIZCTEOSA-N 2 2 344.430 3.429 20 0 EGADLP COc1ccccc1C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000655718301 461387609 /nfs/dbraw/zinc/38/76/09/461387609.db2.gz IOOBJZWGKMMDIU-VQTJNVASSA-N 2 2 346.515 3.105 20 0 EGADLP c1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]cc1N1CCCCC1 ZINC000655742432 461409388 /nfs/dbraw/zinc/40/93/88/461409388.db2.gz TXESZECFWQXTQH-LJQANCHMSA-N 2 2 344.503 3.127 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000655749250 461416566 /nfs/dbraw/zinc/41/65/66/461416566.db2.gz UPABFCUISJZORU-ACJLOTCBSA-N 2 2 344.890 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000655749250 461416569 /nfs/dbraw/zinc/41/65/69/461416569.db2.gz UPABFCUISJZORU-ACJLOTCBSA-N 2 2 344.890 3.406 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)[C@@H]1CCC[NH3+] ZINC000638422502 461421772 /nfs/dbraw/zinc/42/17/72/461421772.db2.gz DIBHYFSWOCBMSH-RDTXWAMCSA-N 2 2 326.444 3.056 20 0 EGADLP C[C@@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)Cn1cc[nH+]c1 ZINC000638437566 461427919 /nfs/dbraw/zinc/42/79/19/461427919.db2.gz NXVVEFJRMBYOOU-NSHDSACASA-N 2 2 349.232 3.213 20 0 EGADLP Clc1ccccc1[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655771320 461435299 /nfs/dbraw/zinc/43/52/99/461435299.db2.gz HREXODKLUAMBBK-DJIMGWMZSA-N 2 2 334.891 3.429 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC2CCC1CC2 ZINC000638458089 461437730 /nfs/dbraw/zinc/43/77/30/461437730.db2.gz AIJAMLPRCBIPRB-XFYJMZHFSA-N 3 2 333.564 3.349 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)[NH+]2CCCC2)cc1 ZINC000638455263 461438130 /nfs/dbraw/zinc/43/81/30/461438130.db2.gz VNKDMCIXLKLDGE-RLLQIKCJSA-N 2 2 343.515 3.169 20 0 EGADLP CC(C)(C)c1ccncc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655777888 461439542 /nfs/dbraw/zinc/43/95/42/461439542.db2.gz YRNHCUXNPJSVFL-SFHVURJKSA-N 2 2 331.504 3.112 20 0 EGADLP C[C@@H](Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1)c1ccccc1 ZINC000653076319 461489699 /nfs/dbraw/zinc/48/96/99/461489699.db2.gz RGCDJXPIXJFYCV-BEFAXECRSA-N 2 2 340.471 3.077 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000655848995 461494761 /nfs/dbraw/zinc/49/47/61/461494761.db2.gz NPJUUMMSEOFYPU-SQNIBIBYSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000655848995 461494770 /nfs/dbraw/zinc/49/47/70/461494770.db2.gz NPJUUMMSEOFYPU-SQNIBIBYSA-N 2 2 330.472 3.298 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848730 461494811 /nfs/dbraw/zinc/49/48/11/461494811.db2.gz KAJPTBKKAQJMEI-WMQCIHAUSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(N2CCOCC2)c1 ZINC000655848730 461494820 /nfs/dbraw/zinc/49/48/20/461494820.db2.gz KAJPTBKKAQJMEI-WMQCIHAUSA-N 2 2 343.515 3.191 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849427 461495916 /nfs/dbraw/zinc/49/59/16/461495916.db2.gz OSCJLJAVHTYMJI-NZSAHSFTSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849427 461495920 /nfs/dbraw/zinc/49/59/20/461495920.db2.gz OSCJLJAVHTYMJI-NZSAHSFTSA-N 2 2 329.488 3.035 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655855392 461503996 /nfs/dbraw/zinc/50/39/96/461503996.db2.gz GJKGYDREQXEXOC-SJORKVTESA-N 2 2 348.487 3.209 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655855392 461504002 /nfs/dbraw/zinc/50/40/02/461504002.db2.gz GJKGYDREQXEXOC-SJORKVTESA-N 2 2 348.487 3.209 20 0 EGADLP O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653112350 461505962 /nfs/dbraw/zinc/50/59/62/461505962.db2.gz WCNYGVCRPZCVHY-INIZCTEOSA-N 2 2 338.455 3.215 20 0 EGADLP COc1ccccc1[C@@H](CNc1cc(CO)cc(C)[nH+]1)[NH+]1CCCC1 ZINC000663334051 461565940 /nfs/dbraw/zinc/56/59/40/461565940.db2.gz ZFXWMAGHELSJRP-GOSISDBHSA-N 2 2 341.455 3.140 20 0 EGADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000660073325 461568784 /nfs/dbraw/zinc/56/87/84/461568784.db2.gz DQTVMUDVYJZNSS-UHFFFAOYSA-N 2 2 331.485 3.248 20 0 EGADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000660073325 461568793 /nfs/dbraw/zinc/56/87/93/461568793.db2.gz DQTVMUDVYJZNSS-UHFFFAOYSA-N 2 2 331.485 3.248 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CCc2cn3c(cccc3C)[nH+]2)o1 ZINC000647263134 461598544 /nfs/dbraw/zinc/59/85/44/461598544.db2.gz OILWOGUSOQCTFQ-UHFFFAOYSA-N 2 2 349.438 3.277 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643061691 461598793 /nfs/dbraw/zinc/59/87/93/461598793.db2.gz IEPQFJDAZBXODO-FUHWJXTLSA-N 2 2 345.487 3.020 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643061691 461598802 /nfs/dbraw/zinc/59/88/02/461598802.db2.gz IEPQFJDAZBXODO-FUHWJXTLSA-N 2 2 345.487 3.020 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)sn1 ZINC000660127338 461599048 /nfs/dbraw/zinc/59/90/48/461599048.db2.gz LXSLOWAYAWWQBT-AWEZNQCLSA-N 2 2 342.468 3.474 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)sn1 ZINC000660127338 461599056 /nfs/dbraw/zinc/59/90/56/461599056.db2.gz LXSLOWAYAWWQBT-AWEZNQCLSA-N 2 2 342.468 3.474 20 0 EGADLP Clc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000643064079 461601312 /nfs/dbraw/zinc/60/13/12/461601312.db2.gz FHYMEQCIZJALAB-ZBFHGGJFSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000643064079 461601321 /nfs/dbraw/zinc/60/13/21/461601321.db2.gz FHYMEQCIZJALAB-ZBFHGGJFSA-N 2 2 346.862 3.354 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068561 461601467 /nfs/dbraw/zinc/60/14/67/461601467.db2.gz IGLFWZLYUPCQMI-WIYYLYMNSA-N 2 2 349.478 3.366 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068561 461601477 /nfs/dbraw/zinc/60/14/77/461601477.db2.gz IGLFWZLYUPCQMI-WIYYLYMNSA-N 2 2 349.478 3.366 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638825746 461602558 /nfs/dbraw/zinc/60/25/58/461602558.db2.gz ARKZFNZIVARSDZ-YQQAZPJKSA-N 2 2 342.405 3.257 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638825746 461602564 /nfs/dbraw/zinc/60/25/64/461602564.db2.gz ARKZFNZIVARSDZ-YQQAZPJKSA-N 2 2 342.405 3.257 20 0 EGADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069075 461602982 /nfs/dbraw/zinc/60/29/82/461602982.db2.gz OAXFQXSEVJPCOX-IAQYHMDHSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069075 461602989 /nfs/dbraw/zinc/60/29/89/461602989.db2.gz OAXFQXSEVJPCOX-IAQYHMDHSA-N 2 2 342.270 3.006 20 0 EGADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+]Cc2c[nH+]c3n2CCC3)ccc1Cl ZINC000631186791 461623352 /nfs/dbraw/zinc/62/33/52/461623352.db2.gz ROAZHUOCYGHOHQ-WBVHZDCISA-N 2 2 335.810 3.242 20 0 EGADLP Cc1c[nH+]c(C)nc1N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000656172638 461633472 /nfs/dbraw/zinc/63/34/72/461633472.db2.gz FRUNLEFAOPTSTL-OAHLLOKOSA-N 2 2 343.500 3.041 20 0 EGADLP Cc1c[nH+]c(C)nc1N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000656172638 461633482 /nfs/dbraw/zinc/63/34/82/461633482.db2.gz FRUNLEFAOPTSTL-OAHLLOKOSA-N 2 2 343.500 3.041 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204207 461637426 /nfs/dbraw/zinc/63/74/26/461637426.db2.gz ZPIGFTDFDFPYBK-OXJNMPFZSA-N 2 2 327.472 3.100 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204207 461637433 /nfs/dbraw/zinc/63/74/33/461637433.db2.gz ZPIGFTDFDFPYBK-OXJNMPFZSA-N 2 2 327.472 3.100 20 0 EGADLP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000631204791 461640670 /nfs/dbraw/zinc/64/06/70/461640670.db2.gz GEWHJDLRUSRQTN-OAQYLSRUSA-N 2 2 345.531 3.357 20 0 EGADLP Fc1ccc([C@@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466214 461655450 /nfs/dbraw/zinc/65/54/50/461655450.db2.gz PNGUNNPHMGHDQR-QFBILLFUSA-N 2 2 342.462 3.350 20 0 EGADLP Fc1ccc([C@@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000663466214 461655456 /nfs/dbraw/zinc/65/54/56/461655456.db2.gz PNGUNNPHMGHDQR-QFBILLFUSA-N 2 2 342.462 3.350 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000656254157 461676560 /nfs/dbraw/zinc/67/65/60/461676560.db2.gz CAABMBZDIVXEPI-LJQANCHMSA-N 2 2 340.471 3.142 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000656256384 461682068 /nfs/dbraw/zinc/68/20/68/461682068.db2.gz ZDMZMYKKYCOUGZ-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000656256384 461682076 /nfs/dbraw/zinc/68/20/76/461682076.db2.gz ZDMZMYKKYCOUGZ-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656256384 461682083 /nfs/dbraw/zinc/68/20/83/461682083.db2.gz ZDMZMYKKYCOUGZ-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656256384 461682088 /nfs/dbraw/zinc/68/20/88/461682088.db2.gz ZDMZMYKKYCOUGZ-HNAYVOBHSA-N 2 2 344.890 3.360 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000663515064 461682880 /nfs/dbraw/zinc/68/28/80/461682880.db2.gz ZGOSBXXCBKNKMP-MRVPVSSYSA-N 2 2 341.171 3.045 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000656262236 461687976 /nfs/dbraw/zinc/68/79/76/461687976.db2.gz RLCDNSVUXZIDFM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000656262236 461687982 /nfs/dbraw/zinc/68/79/82/461687982.db2.gz RLCDNSVUXZIDFM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000656262236 461687993 /nfs/dbraw/zinc/68/79/93/461687993.db2.gz RLCDNSVUXZIDFM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000656262236 461687999 /nfs/dbraw/zinc/68/79/99/461687999.db2.gz RLCDNSVUXZIDFM-NQIIRXRSSA-N 2 2 338.499 3.405 20 0 EGADLP CC[C@H]1C[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1[NH3+] ZINC000647497330 461737669 /nfs/dbraw/zinc/73/76/69/461737669.db2.gz CUNUYSOCDOXONL-WFASDCNBSA-N 2 2 345.468 3.098 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@@H]1[NH3+] ZINC000647497330 461737672 /nfs/dbraw/zinc/73/76/72/461737672.db2.gz CUNUYSOCDOXONL-WFASDCNBSA-N 2 2 345.468 3.098 20 0 EGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000639120199 461741151 /nfs/dbraw/zinc/74/11/51/461741151.db2.gz UKWXBVFSJGHZHN-UHFFFAOYSA-N 2 2 346.446 3.411 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCS2 ZINC000643506244 461748998 /nfs/dbraw/zinc/74/89/98/461748998.db2.gz PMTBQZAOMAMDIC-ZDUSSCGKSA-N 2 2 327.291 3.328 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC[N@@H+]1C ZINC000639140432 461756386 /nfs/dbraw/zinc/75/63/86/461756386.db2.gz XNIMISHIYRJKQP-ISTVAULSSA-N 2 2 343.240 3.094 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC[N@H+]1C ZINC000639140432 461756389 /nfs/dbraw/zinc/75/63/89/461756389.db2.gz XNIMISHIYRJKQP-ISTVAULSSA-N 2 2 343.240 3.094 20 0 EGADLP FC(F)(F)c1cnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543776 461760232 /nfs/dbraw/zinc/76/02/32/461760232.db2.gz RTZZMZNQUXNZMX-VXGBXAGGSA-N 2 2 333.423 3.374 20 0 EGADLP FC(F)(F)c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647543776 461760238 /nfs/dbraw/zinc/76/02/38/461760238.db2.gz RTZZMZNQUXNZMX-VXGBXAGGSA-N 2 2 333.423 3.374 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc3nccnc3c2)CC1 ZINC000639178312 461785275 /nfs/dbraw/zinc/78/52/75/461785275.db2.gz ICUOVRLLIHCYFM-UHFFFAOYSA-N 2 2 336.439 3.319 20 0 EGADLP CC[C@@H](OCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000653690392 461809367 /nfs/dbraw/zinc/80/93/67/461809367.db2.gz SYSHUGOEZIJILK-WIYYLYMNSA-N 2 2 346.515 3.339 20 0 EGADLP CC[C@@H](OCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000653690392 461809374 /nfs/dbraw/zinc/80/93/74/461809374.db2.gz SYSHUGOEZIJILK-WIYYLYMNSA-N 2 2 346.515 3.339 20 0 EGADLP COc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)sn1 ZINC000660531747 461834373 /nfs/dbraw/zinc/83/43/73/461834373.db2.gz VQJSLWDFODEDDA-UHFFFAOYSA-N 2 2 340.452 3.022 20 0 EGADLP CC(C)(C)n1ncnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000669927570 461839391 /nfs/dbraw/zinc/83/93/91/461839391.db2.gz PVYDNIHJHJUUJE-UHFFFAOYSA-N 2 2 333.524 3.121 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814428 461847745 /nfs/dbraw/zinc/84/77/45/461847745.db2.gz NQSMBXNKYQMOKI-UHFFFAOYSA-N 2 2 329.488 3.139 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814428 461847752 /nfs/dbraw/zinc/84/77/52/461847752.db2.gz NQSMBXNKYQMOKI-UHFFFAOYSA-N 2 2 329.488 3.139 20 0 EGADLP CC1([NH3+])CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000647924898 461889227 /nfs/dbraw/zinc/88/92/27/461889227.db2.gz UJZXDTQASOBXEJ-GOSISDBHSA-N 2 2 341.430 3.319 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000647929842 461890114 /nfs/dbraw/zinc/89/01/14/461890114.db2.gz GPCORMGNVLHKRF-CYBMUJFWSA-N 2 2 339.361 3.307 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000647929842 461890121 /nfs/dbraw/zinc/89/01/21/461890121.db2.gz GPCORMGNVLHKRF-CYBMUJFWSA-N 2 2 339.361 3.307 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000647926645 461890665 /nfs/dbraw/zinc/89/06/65/461890665.db2.gz HYCQLJNOEOEKDV-UHFFFAOYSA-N 2 2 337.467 3.033 20 0 EGADLP CC[C@H]1C[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@H]1[NH3+] ZINC000647937412 461893993 /nfs/dbraw/zinc/89/39/93/461893993.db2.gz YJJPVEFIRHBNFS-KBXCAEBGSA-N 2 2 342.462 3.059 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[C@H]1[NH3+] ZINC000647937412 461893998 /nfs/dbraw/zinc/89/39/98/461893998.db2.gz YJJPVEFIRHBNFS-KBXCAEBGSA-N 2 2 342.462 3.059 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)cnc21 ZINC000656789347 461898970 /nfs/dbraw/zinc/89/89/70/461898970.db2.gz WGJZRCLJHXVPMT-WOJBJXKFSA-N 2 2 349.482 3.248 20 0 EGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2scnc2C2CC2)c1 ZINC000656789850 461899104 /nfs/dbraw/zinc/89/91/04/461899104.db2.gz AUXBRIIHSLGAPK-HOTGVXAUSA-N 2 2 331.460 3.395 20 0 EGADLP Cc1nc(NC2CC[NH+](C3CCC3)CC2)c(Br)c(C)[nH+]1 ZINC000663981699 461900582 /nfs/dbraw/zinc/90/05/82/461900582.db2.gz BNWSSNJYCXCQFW-UHFFFAOYSA-N 2 2 339.281 3.285 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)on2)cc1 ZINC000660655998 461907354 /nfs/dbraw/zinc/90/73/54/461907354.db2.gz OOPNPXHYPPDWMK-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)on2)cc1 ZINC000660655998 461907357 /nfs/dbraw/zinc/90/73/57/461907357.db2.gz OOPNPXHYPPDWMK-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)on2)cc1 ZINC000660655998 461907359 /nfs/dbraw/zinc/90/73/59/461907359.db2.gz OOPNPXHYPPDWMK-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1ccc(-c2cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)on2)cc1 ZINC000660655998 461907363 /nfs/dbraw/zinc/90/73/63/461907363.db2.gz OOPNPXHYPPDWMK-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656705 461907549 /nfs/dbraw/zinc/90/75/49/461907549.db2.gz NVLWLCFYXTWPQD-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656705 461907553 /nfs/dbraw/zinc/90/75/53/461907553.db2.gz NVLWLCFYXTWPQD-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656705 461907558 /nfs/dbraw/zinc/90/75/58/461907558.db2.gz NVLWLCFYXTWPQD-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656705 461907564 /nfs/dbraw/zinc/90/75/64/461907564.db2.gz NVLWLCFYXTWPQD-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667099563 461949568 /nfs/dbraw/zinc/94/95/68/461949568.db2.gz BDSAUWBQYNGQOE-KBXCAEBGSA-N 2 2 338.411 3.090 20 0 EGADLP CC(C)Cn1nccc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000648042382 461955304 /nfs/dbraw/zinc/95/53/04/461955304.db2.gz ZSGSVEMYMCYDPQ-UHFFFAOYSA-N 2 2 346.441 3.388 20 0 EGADLP CC(C)Cn1nccc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000648042382 461955312 /nfs/dbraw/zinc/95/53/12/461955312.db2.gz ZSGSVEMYMCYDPQ-UHFFFAOYSA-N 2 2 346.441 3.388 20 0 EGADLP Cc1noc([C@H](C)[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660853549 461997222 /nfs/dbraw/zinc/99/72/22/461997222.db2.gz AYHMGIRSCIMWFI-LBPRGKRZSA-N 2 2 325.416 3.270 20 0 EGADLP COCc1csc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000657315181 462038985 /nfs/dbraw/zinc/03/89/85/462038985.db2.gz NYKNJKKYWGFGME-UHFFFAOYSA-N 2 2 346.496 3.017 20 0 EGADLP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+](C4CC[NH+](C)CC4)CC3)cc21 ZINC000657338302 462056318 /nfs/dbraw/zinc/05/63/18/462056318.db2.gz UUGDDLXXRJIVER-UHFFFAOYSA-N 3 2 340.515 3.125 20 0 EGADLP COCCSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657352683 462065389 /nfs/dbraw/zinc/06/53/89/462065389.db2.gz KXMMYXOLOXQARW-CQSZACIVSA-N 2 2 331.485 3.419 20 0 EGADLP COCc1csc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000657363083 462073256 /nfs/dbraw/zinc/07/32/56/462073256.db2.gz FZLBVHJZEWMCNX-KXBFYZLASA-N 2 2 345.512 3.290 20 0 EGADLP COCc1csc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000657363083 462073263 /nfs/dbraw/zinc/07/32/63/462073263.db2.gz FZLBVHJZEWMCNX-KXBFYZLASA-N 2 2 345.512 3.290 20 0 EGADLP c1cn(CC[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c[nH+]1 ZINC000639724326 462077130 /nfs/dbraw/zinc/07/71/30/462077130.db2.gz ACPRMLQPKDBETP-UHFFFAOYSA-N 3 2 338.499 3.261 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@@H](C)O1 ZINC000648409894 462104995 /nfs/dbraw/zinc/10/49/95/462104995.db2.gz ICKMSXSASNORNH-CHWSQXEVSA-N 2 2 337.851 3.070 20 0 EGADLP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414570 462107744 /nfs/dbraw/zinc/10/77/44/462107744.db2.gz BSUWQIZXWVSUQN-PKOBYXMFSA-N 3 2 338.499 3.220 20 0 EGADLP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH+]c3n2CCC3)C[N@H+]1Cc1ccccc1 ZINC000657414570 462107752 /nfs/dbraw/zinc/10/77/52/462107752.db2.gz BSUWQIZXWVSUQN-PKOBYXMFSA-N 3 2 338.499 3.220 20 0 EGADLP FC(F)(F)COCc1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657414708 462108269 /nfs/dbraw/zinc/10/82/69/462108269.db2.gz VOBLHANREBZMMQ-UHFFFAOYSA-N 2 2 339.361 3.198 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893514 462121837 /nfs/dbraw/zinc/12/18/37/462121837.db2.gz QDXJETUKMDRIOX-PKOBYXMFSA-N 2 2 345.531 3.182 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893514 462121845 /nfs/dbraw/zinc/12/18/45/462121845.db2.gz QDXJETUKMDRIOX-PKOBYXMFSA-N 2 2 345.531 3.182 20 0 EGADLP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657439269 462124173 /nfs/dbraw/zinc/12/41/73/462124173.db2.gz YXWWAMGUJGRWMK-ZWKOTPCHSA-N 2 2 325.456 3.303 20 0 EGADLP CC(C)n1cc[nH+]c1CNC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000657439615 462125466 /nfs/dbraw/zinc/12/54/66/462125466.db2.gz IZISDDOGJOTDKK-IBGZPJMESA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1cc[nH+]c1CNC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000657439615 462125470 /nfs/dbraw/zinc/12/54/70/462125470.db2.gz IZISDDOGJOTDKK-IBGZPJMESA-N 2 2 326.488 3.464 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664678883 462146083 /nfs/dbraw/zinc/14/60/83/462146083.db2.gz PNYUVPPBSOJTEQ-OAHLLOKOSA-N 2 2 330.476 3.205 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664678883 462146089 /nfs/dbraw/zinc/14/60/89/462146089.db2.gz PNYUVPPBSOJTEQ-OAHLLOKOSA-N 2 2 330.476 3.205 20 0 EGADLP C[C@](CO)([NH2+]Cc1c[nH+]c2n1CCC2)c1cc(Cl)cc(Cl)c1 ZINC000657484011 462151328 /nfs/dbraw/zinc/15/13/28/462151328.db2.gz ATIGZKFIESAYCQ-MRXNPFEDSA-N 2 2 340.254 3.133 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4ccncc4s3)CC2)c1 ZINC000667596483 462164842 /nfs/dbraw/zinc/16/48/42/462164842.db2.gz KBNWDQQLPNOWRP-UHFFFAOYSA-N 2 2 340.452 3.022 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000651294140 462168366 /nfs/dbraw/zinc/16/83/66/462168366.db2.gz FEHJGZFZMRLCAI-QGZVFWFLSA-N 2 2 325.460 3.110 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3cccnc3N3CCCC3)cc2)c[nH+]1 ZINC000657571906 462187711 /nfs/dbraw/zinc/18/77/11/462187711.db2.gz ZCUKWGLHXPSIJI-UHFFFAOYSA-N 2 2 333.439 3.157 20 0 EGADLP CCC(=O)N1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000648606647 462198108 /nfs/dbraw/zinc/19/81/08/462198108.db2.gz QBTBMXYEAZJFKQ-UHFFFAOYSA-N 2 2 346.862 3.016 20 0 EGADLP COC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)c1cccc(OC)c1 ZINC000657613569 462204083 /nfs/dbraw/zinc/20/40/83/462204083.db2.gz WMBQWZUOANNJHC-GOSISDBHSA-N 2 2 325.412 3.129 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000645156229 462206364 /nfs/dbraw/zinc/20/63/64/462206364.db2.gz DLOOECFTTKCOTA-FOIQADDNSA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000645156229 462206369 /nfs/dbraw/zinc/20/63/69/462206369.db2.gz DLOOECFTTKCOTA-FOIQADDNSA-N 2 2 343.446 3.230 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000667681784 462211733 /nfs/dbraw/zinc/21/17/33/462211733.db2.gz RFDOCBQZINSKGU-CQSZACIVSA-N 2 2 330.394 3.037 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000667681784 462211736 /nfs/dbraw/zinc/21/17/36/462211736.db2.gz RFDOCBQZINSKGU-CQSZACIVSA-N 2 2 330.394 3.037 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000657689440 462231531 /nfs/dbraw/zinc/23/15/31/462231531.db2.gz XLJOHVUUGXMFAB-UYAOXDASSA-N 2 2 335.455 3.107 20 0 EGADLP CCC[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667758354 462248754 /nfs/dbraw/zinc/24/87/54/462248754.db2.gz BPQZVHGDIIXXQP-IBGZPJMESA-N 2 2 338.499 3.316 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650943 462288920 /nfs/dbraw/zinc/28/89/20/462288920.db2.gz FSCLSMBELLCJNC-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000651650943 462288923 /nfs/dbraw/zinc/28/89/23/462288923.db2.gz FSCLSMBELLCJNC-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000651650943 462288926 /nfs/dbraw/zinc/28/89/26/462288926.db2.gz FSCLSMBELLCJNC-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000651650943 462288930 /nfs/dbraw/zinc/28/89/30/462288930.db2.gz FSCLSMBELLCJNC-KSSFIOAISA-N 2 2 348.462 3.292 20 0 EGADLP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3c(Cl)cccc13)CCO2 ZINC000645385066 462308473 /nfs/dbraw/zinc/30/84/73/462308473.db2.gz DSRHVXPSAQZARH-UHFFFAOYSA-N 2 2 331.847 3.189 20 0 EGADLP C[N@@H+]1CC[C@H](NCC[NH+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385449 462308698 /nfs/dbraw/zinc/30/86/98/462308698.db2.gz KLBXIWHYLRUYFS-XZOQPEGZSA-N 2 2 349.522 3.470 20 0 EGADLP C[N@H+]1CC[C@H](NCC[NH+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385449 462308705 /nfs/dbraw/zinc/30/87/05/462308705.db2.gz KLBXIWHYLRUYFS-XZOQPEGZSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@H](NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385449 462308713 /nfs/dbraw/zinc/30/87/13/462308713.db2.gz KLBXIWHYLRUYFS-XZOQPEGZSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@H](NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000645385449 462308718 /nfs/dbraw/zinc/30/87/18/462308718.db2.gz KLBXIWHYLRUYFS-XZOQPEGZSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000654757653 462373516 /nfs/dbraw/zinc/37/35/16/462373516.db2.gz DAYSTNOEWDZINI-MSOLQXFVSA-N 2 2 349.906 3.030 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)CC3 ZINC000658090259 462379104 /nfs/dbraw/zinc/37/91/04/462379104.db2.gz FVUORTUJMSGGEI-HUUCEWRRSA-N 2 2 341.499 3.496 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)CC3 ZINC000658090259 462379107 /nfs/dbraw/zinc/37/91/07/462379107.db2.gz FVUORTUJMSGGEI-HUUCEWRRSA-N 2 2 341.499 3.496 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(COC[C@H]2CCCO2)c1)[C@H]1CCCC[NH2+]1 ZINC000665293845 462389267 /nfs/dbraw/zinc/38/92/67/462389267.db2.gz DKVWNEASDIPTKR-PWIZWCRZSA-N 2 2 332.488 3.002 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000668084531 462413125 /nfs/dbraw/zinc/41/31/25/462413125.db2.gz NUNYOKUFAPEHSM-OXJNMPFZSA-N 2 2 342.439 3.149 20 0 EGADLP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000668084531 462413131 /nfs/dbraw/zinc/41/31/31/462413131.db2.gz NUNYOKUFAPEHSM-OXJNMPFZSA-N 2 2 342.439 3.149 20 0 EGADLP C1=C(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000645786833 462426322 /nfs/dbraw/zinc/42/63/22/462426322.db2.gz DLJDBGQBMAESPG-HXUWFJFHSA-N 2 2 340.515 3.026 20 0 EGADLP C1=C(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000645786833 462426324 /nfs/dbraw/zinc/42/63/24/462426324.db2.gz DLJDBGQBMAESPG-HXUWFJFHSA-N 2 2 340.515 3.026 20 0 EGADLP c1ccc([C@@H]2CO[C@H](C[NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1 ZINC000658207646 462429211 /nfs/dbraw/zinc/42/92/11/462429211.db2.gz OVMOOYZRYQDJOE-ICSRJNTNSA-N 2 2 337.467 3.213 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)C3C[NH+](C4CCCCC4)C3)ccc2n1C ZINC000654997390 462446451 /nfs/dbraw/zinc/44/64/51/462446451.db2.gz KQZDLHFDEQTYNO-UHFFFAOYSA-N 2 2 326.444 3.085 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283819 462456367 /nfs/dbraw/zinc/45/63/67/462456367.db2.gz DDIBJSQTDAMUTE-LSDHHAIUSA-N 2 2 327.472 3.108 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000658283819 462456371 /nfs/dbraw/zinc/45/63/71/462456371.db2.gz DDIBJSQTDAMUTE-LSDHHAIUSA-N 2 2 327.472 3.108 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1Oc1ccccc1 ZINC000658297081 462462922 /nfs/dbraw/zinc/46/29/22/462462922.db2.gz YAAHQIANJBIDNU-DFQSSKMNSA-N 2 2 344.499 3.075 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCC1 ZINC000658313788 462473925 /nfs/dbraw/zinc/47/39/25/462473925.db2.gz FSYZMDCAKFIYMI-PWIZWCRZSA-N 2 2 331.504 3.087 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCC1 ZINC000658313788 462473927 /nfs/dbraw/zinc/47/39/27/462473927.db2.gz FSYZMDCAKFIYMI-PWIZWCRZSA-N 2 2 331.504 3.087 20 0 EGADLP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000649315743 462477127 /nfs/dbraw/zinc/47/71/27/462477127.db2.gz HOZOZCDOEVBBSI-OAHLLOKOSA-N 2 2 331.803 3.464 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000649408084 462501817 /nfs/dbraw/zinc/50/18/17/462501817.db2.gz SMVJLPGDPJOVPQ-GFCCVEGCSA-N 2 2 325.441 3.452 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000649416140 462503565 /nfs/dbraw/zinc/50/35/65/462503565.db2.gz SJAJCCPVECYAPU-UHFFFAOYSA-N 2 2 334.261 3.311 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000155680550 526647363 /nfs/dbraw/zinc/64/73/63/526647363.db2.gz CSKHWZVMDSRWLK-AWEZNQCLSA-N 2 2 336.233 3.149 20 0 EGADLP CC1CC[NH+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000187709215 528241692 /nfs/dbraw/zinc/24/16/92/528241692.db2.gz NCIZYSRGATXVOX-SFHVURJKSA-N 2 2 330.451 3.350 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000191506314 528866543 /nfs/dbraw/zinc/86/65/43/528866543.db2.gz JZCRDENZGVEMAM-LJQANCHMSA-N 2 2 343.471 3.380 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000191506314 528866549 /nfs/dbraw/zinc/86/65/49/528866549.db2.gz JZCRDENZGVEMAM-LJQANCHMSA-N 2 2 343.471 3.380 20 0 EGADLP CC[NH+](CC)CCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000353438345 535502984 /nfs/dbraw/zinc/50/29/84/535502984.db2.gz GGJDTXXBCIOKSN-UHFFFAOYSA-N 2 2 344.402 3.180 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000353438345 535502987 /nfs/dbraw/zinc/50/29/87/535502987.db2.gz GGJDTXXBCIOKSN-UHFFFAOYSA-N 2 2 344.402 3.180 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246875686 535690200 /nfs/dbraw/zinc/69/02/00/535690200.db2.gz SVJKYHUASWYCCH-MAUKXSAKSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246875686 535690207 /nfs/dbraw/zinc/69/02/07/535690207.db2.gz SVJKYHUASWYCCH-MAUKXSAKSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246875686 535690211 /nfs/dbraw/zinc/69/02/11/535690211.db2.gz SVJKYHUASWYCCH-MAUKXSAKSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246875686 535690217 /nfs/dbraw/zinc/69/02/17/535690217.db2.gz SVJKYHUASWYCCH-MAUKXSAKSA-N 2 2 348.560 3.438 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959838 535768335 /nfs/dbraw/zinc/76/83/35/535768335.db2.gz IOIZYPXEJMNHHY-JXFKEZNVSA-N 3 2 333.495 3.110 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000246959838 535768338 /nfs/dbraw/zinc/76/83/38/535768338.db2.gz IOIZYPXEJMNHHY-JXFKEZNVSA-N 3 2 333.495 3.110 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000264995167 535944665 /nfs/dbraw/zinc/94/46/65/535944665.db2.gz NWGDJJJZJLGFDN-SFHVURJKSA-N 2 2 343.515 3.236 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000264995167 535944670 /nfs/dbraw/zinc/94/46/70/535944670.db2.gz NWGDJJJZJLGFDN-SFHVURJKSA-N 2 2 343.515 3.236 20 0 EGADLP CCn1c2ccc(Cl)cc2[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000361649559 536002163 /nfs/dbraw/zinc/00/21/63/536002163.db2.gz DNMOLHHTHJLGDW-UHFFFAOYSA-N 2 2 325.803 3.391 20 0 EGADLP Cn1cc[nH+]c1[C@H](Nc1cccc(OCCC[NH+](C)C)c1)C1CC1 ZINC000129057012 546784347 /nfs/dbraw/zinc/78/43/47/546784347.db2.gz OBDMTCUMIOBPFO-GOSISDBHSA-N 2 2 328.460 3.314 20 0 EGADLP CCC[NH+]1CCC(Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000153594930 546882205 /nfs/dbraw/zinc/88/22/05/546882205.db2.gz AFSVXGVUGQDZQL-UHFFFAOYSA-N 2 2 328.460 3.248 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000163725932 546974739 /nfs/dbraw/zinc/97/47/39/546974739.db2.gz NQKZZZTXNOMEJE-ZDUSSCGKSA-N 2 2 328.403 3.049 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OCCOCC)CC1 ZINC000167136238 546990900 /nfs/dbraw/zinc/99/09/00/546990900.db2.gz PZYMBTIJPCZNBD-UHFFFAOYSA-N 2 2 334.504 3.374 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184534899 547111102 /nfs/dbraw/zinc/11/11/02/547111102.db2.gz VIVDDIQAEYKTBT-FQEVSTJZSA-N 2 2 328.504 3.229 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184534899 547111107 /nfs/dbraw/zinc/11/11/07/547111107.db2.gz VIVDDIQAEYKTBT-FQEVSTJZSA-N 2 2 328.504 3.229 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)C1 ZINC000189106739 547156048 /nfs/dbraw/zinc/15/60/48/547156048.db2.gz DZOLBPGWEFBTFB-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)C1 ZINC000189106739 547156050 /nfs/dbraw/zinc/15/60/50/547156050.db2.gz DZOLBPGWEFBTFB-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)C1 ZINC000189106739 547156053 /nfs/dbraw/zinc/15/60/53/547156053.db2.gz DZOLBPGWEFBTFB-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)C1 ZINC000189106739 547156057 /nfs/dbraw/zinc/15/60/57/547156057.db2.gz DZOLBPGWEFBTFB-OAHLLOKOSA-N 2 2 326.444 3.213 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000280005465 547368992 /nfs/dbraw/zinc/36/89/92/547368992.db2.gz GGUDSLLSEYAHDP-MRXNPFEDSA-N 2 2 327.428 3.178 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568855 /nfs/dbraw/zinc/56/88/55/547568855.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[NH+]2CCC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568859 /nfs/dbraw/zinc/56/88/59/547568859.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568862 /nfs/dbraw/zinc/56/88/62/547568862.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 3 2 333.545 3.177 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)c1 ZINC000339068280 547568865 /nfs/dbraw/zinc/56/88/65/547568865.db2.gz CWRWGCPATRGMIF-KURKYZTESA-N 3 2 333.545 3.177 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(F)cc43)[nH+]c2)C1 ZINC000346982568 547623060 /nfs/dbraw/zinc/62/30/60/547623060.db2.gz YXVMXLIHXPEKQE-PKOBYXMFSA-N 2 2 340.446 3.460 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4ccc(F)cc43)[nH+]c2)C1 ZINC000346982563 547623136 /nfs/dbraw/zinc/62/31/36/547623136.db2.gz YXVMXLIHXPEKQE-MJGOQNOKSA-N 2 2 340.446 3.460 20 0 EGADLP CC[C@H](Nc1cc(C)[nH+]c(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359732265 547753922 /nfs/dbraw/zinc/75/39/22/547753922.db2.gz SJLDDPCHABVBEQ-RBUKOAKNSA-N 2 2 340.471 3.185 20 0 EGADLP CC[C@H](Nc1cc(C)[nH+]c(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359732265 547753930 /nfs/dbraw/zinc/75/39/30/547753930.db2.gz SJLDDPCHABVBEQ-RBUKOAKNSA-N 2 2 340.471 3.185 20 0 EGADLP Cn1nc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000386003547 547823197 /nfs/dbraw/zinc/82/31/97/547823197.db2.gz UEZDNZDYLMPLKX-GOSISDBHSA-N 2 2 334.467 3.185 20 0 EGADLP Cn1nc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000386003547 547823201 /nfs/dbraw/zinc/82/32/01/547823201.db2.gz UEZDNZDYLMPLKX-GOSISDBHSA-N 2 2 334.467 3.185 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415183730 547864307 /nfs/dbraw/zinc/86/43/07/547864307.db2.gz JAJUKRRRVUEIDK-ZIAGYGMSSA-N 2 2 326.400 3.265 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)C1CCC(C(F)(F)F)CC1)C[NH+]1CCOCC1 ZINC000474817773 547955081 /nfs/dbraw/zinc/95/50/81/547955081.db2.gz KUIAOHRFHRFKKG-QVOMUQBLSA-N 2 2 336.442 3.302 20 0 EGADLP c1nc(C2CC2)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000486941509 547970023 /nfs/dbraw/zinc/97/00/23/547970023.db2.gz UZJBMZMMPVSDEI-UHFFFAOYSA-N 2 2 343.496 3.143 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494945139 547994517 /nfs/dbraw/zinc/99/45/17/547994517.db2.gz FJUKJPFGVQHOTQ-HZPDHXFCSA-N 2 2 348.560 3.011 20 0 EGADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@@H]2CCOc3ccccc32)cc1 ZINC000671312276 548277243 /nfs/dbraw/zinc/27/72/43/548277243.db2.gz NKQKQUSNKRKESW-PXNSSMCTSA-N 2 2 340.467 3.454 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC4(CCC4)CC3)c2cc1C ZINC000671729695 548346197 /nfs/dbraw/zinc/34/61/97/548346197.db2.gz WIGZOMKFYRUIEH-KRWDZBQOSA-N 2 2 327.472 3.280 20 0 EGADLP Cc1cc(N2CC[NH+](CCCOC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000674903443 548824004 /nfs/dbraw/zinc/82/40/04/548824004.db2.gz XTPPQCWEGUUKKQ-UHFFFAOYSA-N 2 2 334.508 3.236 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056910 549200970 /nfs/dbraw/zinc/20/09/70/549200970.db2.gz MDHQJRUFNYMQRX-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056910 549200972 /nfs/dbraw/zinc/20/09/72/549200972.db2.gz MDHQJRUFNYMQRX-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056910 549200976 /nfs/dbraw/zinc/20/09/76/549200976.db2.gz MDHQJRUFNYMQRX-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056910 549200981 /nfs/dbraw/zinc/20/09/81/549200981.db2.gz MDHQJRUFNYMQRX-SFTDATJTSA-N 2 2 328.500 3.400 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000677184378 549224996 /nfs/dbraw/zinc/22/49/96/549224996.db2.gz ZVZPKMNFMUDEQK-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000677184378 549225000 /nfs/dbraw/zinc/22/50/00/549225000.db2.gz ZVZPKMNFMUDEQK-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000677984298 549369736 /nfs/dbraw/zinc/36/97/36/549369736.db2.gz LWSXCXXYWBNPFU-UHFFFAOYSA-N 2 2 338.224 3.151 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000677984298 549369738 /nfs/dbraw/zinc/36/97/38/549369738.db2.gz LWSXCXXYWBNPFU-UHFFFAOYSA-N 2 2 338.224 3.151 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234214 549436657 /nfs/dbraw/zinc/43/66/57/549436657.db2.gz AFKKGEFGVMIJDG-AWEZNQCLSA-N 2 2 329.835 3.260 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234214 549436661 /nfs/dbraw/zinc/43/66/61/549436661.db2.gz AFKKGEFGVMIJDG-AWEZNQCLSA-N 2 2 329.835 3.260 20 0 EGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cscc3Cl)CC2)CC1 ZINC000678296262 549463007 /nfs/dbraw/zinc/46/30/07/549463007.db2.gz ZGZKJRBGBCFSJD-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)n1 ZINC000679078721 549630415 /nfs/dbraw/zinc/63/04/15/549630415.db2.gz DEZHKNUDNBVHJG-AEFFLSMTSA-N 2 2 339.487 3.407 20 0 EGADLP FC(F)Oc1cccc(Cl)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000681699256 550027926 /nfs/dbraw/zinc/02/79/26/550027926.db2.gz SGSFPAWFGQVTQO-JTQLQIEISA-N 2 2 327.762 3.243 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000682616570 550120449 /nfs/dbraw/zinc/12/04/49/550120449.db2.gz DSCGYJAHGOKOFQ-YZGWKJHDSA-N 2 2 340.515 3.270 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000682616570 550120454 /nfs/dbraw/zinc/12/04/54/550120454.db2.gz DSCGYJAHGOKOFQ-YZGWKJHDSA-N 2 2 340.515 3.270 20 0 EGADLP CCc1cccc(Cl)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682778391 550143419 /nfs/dbraw/zinc/14/34/19/550143419.db2.gz DRVJJIZASUAYIA-KRWDZBQOSA-N 2 2 335.923 3.114 20 0 EGADLP Clc1ccc(-c2cnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000683895198 550271810 /nfs/dbraw/zinc/27/18/10/550271810.db2.gz IWWWQMFJEMLAGM-UHFFFAOYSA-N 2 2 343.818 3.040 20 0 EGADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684577467 550345003 /nfs/dbraw/zinc/34/50/03/550345003.db2.gz XIAPLGXVTSVIBQ-OAHLLOKOSA-N 2 2 334.423 3.219 20 0 EGADLP O=C(Cc1cn2ccccc2[nH+]1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000684849359 550376361 /nfs/dbraw/zinc/37/63/61/550376361.db2.gz CMQUNYWEFLNNLM-UHFFFAOYSA-N 2 2 343.390 3.076 20 0 EGADLP Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000685448074 550417641 /nfs/dbraw/zinc/41/76/41/550417641.db2.gz LXPBHABTCICPTJ-GOSISDBHSA-N 2 2 344.459 3.046 20 0 EGADLP Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000685448074 550417644 /nfs/dbraw/zinc/41/76/44/550417644.db2.gz LXPBHABTCICPTJ-GOSISDBHSA-N 2 2 344.459 3.046 20 0 EGADLP Cn1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc21 ZINC000685459654 550419497 /nfs/dbraw/zinc/41/94/97/550419497.db2.gz WUYQHSPUXTZGBJ-UHFFFAOYSA-N 2 2 337.471 3.462 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000729681806 574878179 /nfs/dbraw/zinc/87/81/79/574878179.db2.gz JZNGUNOHSUKXNZ-NRFANRHFSA-N 2 2 346.478 3.392 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000729681806 574878181 /nfs/dbraw/zinc/87/81/81/574878181.db2.gz JZNGUNOHSUKXNZ-NRFANRHFSA-N 2 2 346.478 3.392 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000729682713 574878785 /nfs/dbraw/zinc/87/87/85/574878785.db2.gz ZYTDGIISMSMXAP-LJQANCHMSA-N 2 2 332.451 3.333 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000729682713 574878786 /nfs/dbraw/zinc/87/87/86/574878786.db2.gz ZYTDGIISMSMXAP-LJQANCHMSA-N 2 2 332.451 3.333 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000738226980 574952531 /nfs/dbraw/zinc/95/25/31/574952531.db2.gz KYZRWUVZKVSBJC-LBPRGKRZSA-N 2 2 340.443 3.192 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cn2c3ccccc3nc2SC(F)F)C1 ZINC000738226980 574952533 /nfs/dbraw/zinc/95/25/33/574952533.db2.gz KYZRWUVZKVSBJC-LBPRGKRZSA-N 2 2 340.443 3.192 20 0 EGADLP Cc1csc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000742377516 576776320 /nfs/dbraw/zinc/77/63/20/576776320.db2.gz DYGHWBBEMVEJGY-UHFFFAOYSA-N 2 2 330.501 3.276 20 0 EGADLP Cc1noc(C)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742377774 576776332 /nfs/dbraw/zinc/77/63/32/576776332.db2.gz IMRVQYMDVCPSIX-UHFFFAOYSA-N 2 2 328.460 3.116 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccccc1Cl ZINC000045858397 1291519520 /nfs/dbraw/zinc/51/95/20/1291519520.db2.gz REAGIDSPVSSZCO-YOEHRIQHSA-N 2 2 348.878 3.297 20 0 EGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000066795604 1292130771 /nfs/dbraw/zinc/13/07/71/1292130771.db2.gz SSRCNQQFTLKXLN-UHFFFAOYSA-N 2 2 340.393 3.443 20 0 EGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(C(F)(F)F)n1 ZINC000066795604 1292130774 /nfs/dbraw/zinc/13/07/74/1292130774.db2.gz SSRCNQQFTLKXLN-UHFFFAOYSA-N 2 2 340.393 3.443 20 0 EGADLP CN(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000072670395 1292284810 /nfs/dbraw/zinc/28/48/10/1292284810.db2.gz KWWWKXBQANMCPB-KRWDZBQOSA-N 2 2 326.469 3.326 20 0 EGADLP CN(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000072670396 1292285513 /nfs/dbraw/zinc/28/55/13/1292285513.db2.gz KWWWKXBQANMCPB-QGZVFWFLSA-N 2 2 326.469 3.326 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000072965620 1292299626 /nfs/dbraw/zinc/29/96/26/1292299626.db2.gz RTXMQDBHVAVAJQ-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2cccc(F)c2)C1 ZINC000072965620 1292299631 /nfs/dbraw/zinc/29/96/31/1292299631.db2.gz RTXMQDBHVAVAJQ-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000072965620 1292299636 /nfs/dbraw/zinc/29/96/36/1292299636.db2.gz RTXMQDBHVAVAJQ-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000072965620 1292299641 /nfs/dbraw/zinc/29/96/41/1292299641.db2.gz RTXMQDBHVAVAJQ-HLIPFELVSA-N 2 2 334.479 3.446 20 0 EGADLP CC/C(C)=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827684851 1292355599 /nfs/dbraw/zinc/35/55/99/1292355599.db2.gz HALNYVBBASNCLW-BLCFVWINSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C(C)=C\C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827684851 1292355608 /nfs/dbraw/zinc/35/56/08/1292355608.db2.gz HALNYVBBASNCLW-BLCFVWINSA-N 2 2 335.536 3.138 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000075734611 1292408011 /nfs/dbraw/zinc/40/80/11/1292408011.db2.gz UQPCEUIYYLBSMR-UHFFFAOYSA-N 2 2 329.350 3.449 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000079000412 1292539345 /nfs/dbraw/zinc/53/93/45/1292539345.db2.gz MWEIPBCPVZQFIP-QGZVFWFLSA-N 2 2 329.444 3.249 20 0 EGADLP O=c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2cc3c(cc2o1)CCC3 ZINC000080960735 1292633100 /nfs/dbraw/zinc/63/31/00/1292633100.db2.gz UMLJFNOLTNOLGC-MRXNPFEDSA-N 2 2 349.434 3.384 20 0 EGADLP O=c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2cc3c(cc2o1)CCC3 ZINC000080960735 1292633111 /nfs/dbraw/zinc/63/31/11/1292633111.db2.gz UMLJFNOLTNOLGC-MRXNPFEDSA-N 2 2 349.434 3.384 20 0 EGADLP c1cn(Cc2cccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)c2)c[nH+]1 ZINC000091057317 1292811167 /nfs/dbraw/zinc/81/11/67/1292811167.db2.gz PBJYIGKTTAIVRU-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105456721 1293035986 /nfs/dbraw/zinc/03/59/86/1293035986.db2.gz MGPMYTBKMWVSMK-AWEZNQCLSA-N 2 2 326.916 3.407 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105456721 1293035997 /nfs/dbraw/zinc/03/59/97/1293035997.db2.gz MGPMYTBKMWVSMK-AWEZNQCLSA-N 2 2 326.916 3.407 20 0 EGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)c(F)c2)nc[nH+]1 ZINC000109070228 1293086448 /nfs/dbraw/zinc/08/64/48/1293086448.db2.gz DGXUZLSJNIHACC-CYBMUJFWSA-N 2 2 349.841 3.069 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000109957439 1293092393 /nfs/dbraw/zinc/09/23/93/1293092393.db2.gz PSVXEOKLRJBIGP-UHFFFAOYSA-N 2 2 346.450 3.140 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000109957439 1293092401 /nfs/dbraw/zinc/09/24/01/1293092401.db2.gz PSVXEOKLRJBIGP-UHFFFAOYSA-N 2 2 346.450 3.140 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(Br)cs1 ZINC000834526393 1293110687 /nfs/dbraw/zinc/11/06/87/1293110687.db2.gz HTTYBMFHVMYPTJ-JTQLQIEISA-N 2 2 329.267 3.233 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3cccnc32)cn1 ZINC000121177744 1293358473 /nfs/dbraw/zinc/35/84/73/1293358473.db2.gz HLJASFNYFJFCEE-UHFFFAOYSA-N 2 2 329.407 3.414 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000124993906 1293492092 /nfs/dbraw/zinc/49/20/92/1293492092.db2.gz SFWQOYIRMOSKJE-NJYVYQBISA-N 2 2 343.515 3.269 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460402 1293657584 /nfs/dbraw/zinc/65/75/84/1293657584.db2.gz ZROHSQFUVVHTCQ-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460402 1293657588 /nfs/dbraw/zinc/65/75/88/1293657588.db2.gz ZROHSQFUVVHTCQ-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460402 1293657593 /nfs/dbraw/zinc/65/75/93/1293657593.db2.gz ZROHSQFUVVHTCQ-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000130460402 1293657596 /nfs/dbraw/zinc/65/75/96/1293657596.db2.gz ZROHSQFUVVHTCQ-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP Cc1ccc2ncc(C[NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)n2c1 ZINC000131110185 1293678825 /nfs/dbraw/zinc/67/88/25/1293678825.db2.gz ZIRVDKYWILLOGO-KRWDZBQOSA-N 2 2 349.482 3.353 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000151880533 1293944106 /nfs/dbraw/zinc/94/41/06/1293944106.db2.gz XDEHDHZZAVKZAE-INIZCTEOSA-N 2 2 346.475 3.028 20 0 EGADLP CC(C)C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000177550767 1294677811 /nfs/dbraw/zinc/67/78/11/1294677811.db2.gz MMVXJHBFBMEDBB-QGZVFWFLSA-N 2 2 341.540 3.199 20 0 EGADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)[NH+](C)C ZINC000223941587 1296132932 /nfs/dbraw/zinc/13/29/32/1296132932.db2.gz YYHNFZVDCLJFMT-LSDHHAIUSA-N 2 2 327.513 3.094 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000236918960 1296211237 /nfs/dbraw/zinc/21/12/37/1296211237.db2.gz VKGOVJGKMGVLOU-UHFFFAOYSA-N 2 2 326.488 3.122 20 0 EGADLP COc1cc2c(c(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)c1)O[C@@H](C)C2 ZINC000237336777 1296237326 /nfs/dbraw/zinc/23/73/26/1296237326.db2.gz YGCIEHQNNGRXRB-AWEZNQCLSA-N 2 2 332.488 3.371 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CCC1 ZINC000310031295 1297083541 /nfs/dbraw/zinc/08/35/41/1297083541.db2.gz WIKCIVAQSXWTSP-JKSUJKDBSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000324826197 1297216644 /nfs/dbraw/zinc/21/66/44/1297216644.db2.gz AZNVGXQIKCQQQP-KSSFIOAISA-N 2 2 329.444 3.420 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)O[C@H](C)C2 ZINC000378891610 1297525633 /nfs/dbraw/zinc/52/56/33/1297525633.db2.gz RBPSCTPJUPKDPN-KUHUBIRLSA-N 2 2 343.471 3.420 20 0 EGADLP CNc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc[nH+]1 ZINC000380918780 1297548432 /nfs/dbraw/zinc/54/84/32/1297548432.db2.gz CCTVCQLINDWNDG-UHFFFAOYSA-N 2 2 337.471 3.011 20 0 EGADLP C[C@]1(C[NH2+]Cc2cn3ccccc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000386218392 1297589098 /nfs/dbraw/zinc/58/90/98/1297589098.db2.gz YQFXIYUUFZOTDZ-OAQYLSRUSA-N 2 2 334.467 3.336 20 0 EGADLP C[C@]1(C[NH2+]Cc2cn3ccccc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000386218392 1297589099 /nfs/dbraw/zinc/58/90/99/1297589099.db2.gz YQFXIYUUFZOTDZ-OAQYLSRUSA-N 2 2 334.467 3.336 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CCC1 ZINC000386726136 1297592819 /nfs/dbraw/zinc/59/28/19/1297592819.db2.gz UCIQMYKVNZZGPJ-OAQYLSRUSA-N 2 2 349.478 3.236 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CCC1 ZINC000386726136 1297592824 /nfs/dbraw/zinc/59/28/24/1297592824.db2.gz UCIQMYKVNZZGPJ-OAQYLSRUSA-N 2 2 349.478 3.236 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)c(C)n2n1 ZINC000392728988 1297660744 /nfs/dbraw/zinc/66/07/44/1297660744.db2.gz UUSLCVMRPLNTJY-RHSMWYFYSA-N 2 2 340.475 3.308 20 0 EGADLP C[C@H]1[C@H]([NH2+]CCCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000396721064 1297690697 /nfs/dbraw/zinc/69/06/97/1297690697.db2.gz QOIMAHZVWPBQCD-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP CC(C)n1c[nH+]cc1CNc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000424164901 1297804035 /nfs/dbraw/zinc/80/40/35/1297804035.db2.gz FETYZXSPHKJLCT-UHFFFAOYSA-N 2 2 342.487 3.205 20 0 EGADLP CC(C)n1c[nH+]cc1CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000424164901 1297804053 /nfs/dbraw/zinc/80/40/53/1297804053.db2.gz FETYZXSPHKJLCT-UHFFFAOYSA-N 2 2 342.487 3.205 20 0 EGADLP CCc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000711726652 1298261110 /nfs/dbraw/zinc/26/11/10/1298261110.db2.gz RXELYGKKKSZBBR-QFIPXVFZSA-N 2 2 338.495 3.318 20 0 EGADLP CCc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000711726652 1298261122 /nfs/dbraw/zinc/26/11/22/1298261122.db2.gz RXELYGKKKSZBBR-QFIPXVFZSA-N 2 2 338.495 3.318 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000711726652 1298261132 /nfs/dbraw/zinc/26/11/32/1298261132.db2.gz RXELYGKKKSZBBR-QFIPXVFZSA-N 2 2 338.495 3.318 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000711726652 1298261135 /nfs/dbraw/zinc/26/11/35/1298261135.db2.gz RXELYGKKKSZBBR-QFIPXVFZSA-N 2 2 338.495 3.318 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000749116178 1299145609 /nfs/dbraw/zinc/14/56/09/1299145609.db2.gz JKDWJRQHOPSHLG-AUUYWEPGSA-N 2 2 325.387 3.223 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000749843406 1299285991 /nfs/dbraw/zinc/28/59/91/1299285991.db2.gz BZVLCTVUJGETRY-UKRRQHHQSA-N 2 2 339.361 3.342 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(C(F)(F)F)cc1 ZINC000749843406 1299286004 /nfs/dbraw/zinc/28/60/04/1299286004.db2.gz BZVLCTVUJGETRY-UKRRQHHQSA-N 2 2 339.361 3.342 20 0 EGADLP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(N(C)C)[nH+]1 ZINC000750006359 1299322286 /nfs/dbraw/zinc/32/22/86/1299322286.db2.gz MDHHPXVXCOFCRL-UHFFFAOYSA-N 2 2 338.455 3.304 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877523337 1299366297 /nfs/dbraw/zinc/36/62/97/1299366297.db2.gz IIRRGCQQNFPEJM-YLFCFFPRSA-N 2 2 339.524 3.094 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878663321 1300133144 /nfs/dbraw/zinc/13/31/44/1300133144.db2.gz YAHPPAZFJGPQPE-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878663321 1300133153 /nfs/dbraw/zinc/13/31/53/1300133153.db2.gz YAHPPAZFJGPQPE-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000878663321 1300133159 /nfs/dbraw/zinc/13/31/59/1300133159.db2.gz YAHPPAZFJGPQPE-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878663321 1300133166 /nfs/dbraw/zinc/13/31/66/1300133166.db2.gz YAHPPAZFJGPQPE-PZJWPPBQSA-N 2 2 343.515 3.154 20 0 EGADLP Clc1ccc(Cl)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000878748057 1300172562 /nfs/dbraw/zinc/17/25/62/1300172562.db2.gz RVFZFVKEUVQMFX-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP Clc1ccc(Cl)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000878748057 1300172564 /nfs/dbraw/zinc/17/25/64/1300172564.db2.gz RVFZFVKEUVQMFX-UHFFFAOYSA-N 2 2 337.254 3.496 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000756998004 1300608774 /nfs/dbraw/zinc/60/87/74/1300608774.db2.gz PVSCBQDEMAJIEL-HXUWFJFHSA-N 2 2 346.434 3.460 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879605799 1300624502 /nfs/dbraw/zinc/62/45/02/1300624502.db2.gz RUCYPZXEFPTWOC-UHFFFAOYSA-N 2 2 347.503 3.109 20 0 EGADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137986 1300944989 /nfs/dbraw/zinc/94/49/89/1300944989.db2.gz OAQLRYZANABAAB-CVEARBPZSA-N 2 2 328.378 3.296 20 0 EGADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137986 1300944996 /nfs/dbraw/zinc/94/49/96/1300944996.db2.gz OAQLRYZANABAAB-CVEARBPZSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137986 1300945002 /nfs/dbraw/zinc/94/50/02/1300945002.db2.gz OAQLRYZANABAAB-CVEARBPZSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137986 1300945012 /nfs/dbraw/zinc/94/50/12/1300945012.db2.gz OAQLRYZANABAAB-CVEARBPZSA-N 2 2 328.378 3.296 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)c2ccccc2)CC1 ZINC000880250257 1301003116 /nfs/dbraw/zinc/00/31/16/1301003116.db2.gz JHONHURGHQILTO-GOSISDBHSA-N 2 2 326.488 3.351 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000880250257 1301003129 /nfs/dbraw/zinc/00/31/29/1301003129.db2.gz JHONHURGHQILTO-GOSISDBHSA-N 2 2 326.488 3.351 20 0 EGADLP C[C@@H]1CC[N@H+](Cn2ccc(-c3cccs3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160973 1301030629 /nfs/dbraw/zinc/03/06/29/1301030629.db2.gz XKWYCLWUNPRRDZ-ZBFHGGJFSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@@H]1CC[N@@H+](Cn2ccc(-c3cccs3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000759160973 1301030643 /nfs/dbraw/zinc/03/06/43/1301030643.db2.gz XKWYCLWUNPRRDZ-ZBFHGGJFSA-N 2 2 327.457 3.349 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860051 1301179281 /nfs/dbraw/zinc/17/92/81/1301179281.db2.gz XCASVVAHUFCLEF-QAPCUYQASA-N 2 2 340.870 3.463 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000759860051 1301179287 /nfs/dbraw/zinc/17/92/87/1301179287.db2.gz XCASVVAHUFCLEF-QAPCUYQASA-N 2 2 340.870 3.463 20 0 EGADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(-n2cncn2)cc1 ZINC000765256835 1302230800 /nfs/dbraw/zinc/23/08/00/1302230800.db2.gz YGGFMXMJGYAPQX-QAPCUYQASA-N 2 2 338.459 3.229 20 0 EGADLP CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000883173754 1302284713 /nfs/dbraw/zinc/28/47/13/1302284713.db2.gz SLIYYGOSDRTLKU-DLBZAZTESA-N 2 2 331.485 3.249 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789618 1302328828 /nfs/dbraw/zinc/32/88/28/1302328828.db2.gz BWBYNWNBFZMPBP-ZOBUZTSGSA-N 2 2 338.879 3.253 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)ccc1OC ZINC000765789618 1302328839 /nfs/dbraw/zinc/32/88/39/1302328839.db2.gz BWBYNWNBFZMPBP-ZOBUZTSGSA-N 2 2 338.879 3.253 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791497 1302329064 /nfs/dbraw/zinc/32/90/64/1302329064.db2.gz LJOJKIAHBFVSJN-ZLGUVYLKSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2ccncc2)cc1 ZINC000765791497 1302329074 /nfs/dbraw/zinc/32/90/74/1302329074.db2.gz LJOJKIAHBFVSJN-ZLGUVYLKSA-N 2 2 337.467 3.262 20 0 EGADLP C[C@H](C[C@H]1CCOC1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191709 1302407533 /nfs/dbraw/zinc/40/75/33/1302407533.db2.gz NDJQTLBCTILEQA-IAGOWNOFSA-N 2 2 331.504 3.126 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000767410897 1302663640 /nfs/dbraw/zinc/66/36/40/1302663640.db2.gz GDGVESXVYHJJOY-OAQYLSRUSA-N 2 2 326.484 3.344 20 0 EGADLP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000767410897 1302663645 /nfs/dbraw/zinc/66/36/45/1302663645.db2.gz GDGVESXVYHJJOY-OAQYLSRUSA-N 2 2 326.484 3.344 20 0 EGADLP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000767410897 1302663655 /nfs/dbraw/zinc/66/36/55/1302663655.db2.gz GDGVESXVYHJJOY-OAQYLSRUSA-N 2 2 326.484 3.344 20 0 EGADLP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000767410897 1302663667 /nfs/dbraw/zinc/66/36/67/1302663667.db2.gz GDGVESXVYHJJOY-OAQYLSRUSA-N 2 2 326.484 3.344 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1)NC(=O)OC(C)(C)C ZINC000769686997 1303158556 /nfs/dbraw/zinc/15/85/56/1303158556.db2.gz ZVCQBRTWZBWKLR-XHSDSOJGSA-N 2 2 327.513 3.142 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCc4cccnc43)CC2)cc1 ZINC000886532511 1303489786 /nfs/dbraw/zinc/48/97/86/1303489786.db2.gz KHRZMINMENNYDO-FQEVSTJZSA-N 2 2 336.483 3.394 20 0 EGADLP CCC1(O)CCC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000772470758 1303537736 /nfs/dbraw/zinc/53/77/36/1303537736.db2.gz VBZQOPHWPRHASE-UHFFFAOYSA-N 2 2 345.531 3.395 20 0 EGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CCC=CO3)CC2)c1 ZINC000774997084 1303887363 /nfs/dbraw/zinc/88/73/63/1303887363.db2.gz KGNXBFYFDUXIST-IBGZPJMESA-N 2 2 349.906 3.134 20 0 EGADLP CC(C)(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1F ZINC000775542422 1303980486 /nfs/dbraw/zinc/98/04/86/1303980486.db2.gz LCWYNSCIDWEUDR-RHSMWYFYSA-N 2 2 326.431 3.098 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccnc(Cl)c1 ZINC000777258823 1304277378 /nfs/dbraw/zinc/27/73/78/1304277378.db2.gz MRSIIPDUDXOOEI-BBRMVZONSA-N 2 2 345.878 3.443 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC000779038203 1304522078 /nfs/dbraw/zinc/52/20/78/1304522078.db2.gz AHQXIGDBRZYZHC-DLBZAZTESA-N 2 2 339.524 3.096 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCSC1 ZINC000782770208 1305010742 /nfs/dbraw/zinc/01/07/42/1305010742.db2.gz XYDXIDOSFSMPPM-OALUTQOASA-N 2 2 334.529 3.181 20 0 EGADLP C[NH+](C)CC1CCN(c2ccc([NH2+]CC[C@@H]3CCOC3)cc2)CC1 ZINC000783583100 1305112153 /nfs/dbraw/zinc/11/21/53/1305112153.db2.gz DRTXLMBAWDWFMA-GOSISDBHSA-N 2 2 331.504 3.303 20 0 EGADLP Cn1ncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C1CC1 ZINC000891921124 1305210627 /nfs/dbraw/zinc/21/06/27/1305210627.db2.gz NUULUASXQNZFOJ-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP Cn1ncc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C1CC1 ZINC000891921124 1305210629 /nfs/dbraw/zinc/21/06/29/1305210629.db2.gz NUULUASXQNZFOJ-KRWDZBQOSA-N 2 2 330.520 3.386 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000790497149 1306338700 /nfs/dbraw/zinc/33/87/00/1306338700.db2.gz KXZAVYXRTROHMS-KFWWJZLASA-N 2 2 346.462 3.064 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000790497149 1306338715 /nfs/dbraw/zinc/33/87/15/1306338715.db2.gz KXZAVYXRTROHMS-KFWWJZLASA-N 2 2 346.462 3.064 20 0 EGADLP Clc1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cnn1Cc1ccccc1 ZINC000790512867 1306341783 /nfs/dbraw/zinc/34/17/83/1306341783.db2.gz CJJYKGVPXCGBAR-MRXNPFEDSA-N 2 2 344.890 3.159 20 0 EGADLP Clc1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cnn1Cc1ccccc1 ZINC000790512867 1306341792 /nfs/dbraw/zinc/34/17/92/1306341792.db2.gz CJJYKGVPXCGBAR-MRXNPFEDSA-N 2 2 344.890 3.159 20 0 EGADLP CC[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)[NH+](CC)CC ZINC000791393335 1308978283 /nfs/dbraw/zinc/97/82/83/1308978283.db2.gz VJMQPNCJSHMADR-GOSISDBHSA-N 2 2 329.444 3.344 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000793523851 1309393585 /nfs/dbraw/zinc/39/35/85/1309393585.db2.gz GLTUPVJYWBQXBZ-QRFRQXIXSA-N 2 2 332.488 3.379 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000793523851 1309393596 /nfs/dbraw/zinc/39/35/96/1309393596.db2.gz GLTUPVJYWBQXBZ-QRFRQXIXSA-N 2 2 332.488 3.379 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)[C@H]1SC ZINC000895705733 1309476324 /nfs/dbraw/zinc/47/63/24/1309476324.db2.gz FKNXWIXTPNOLRM-BSDSXHPESA-N 2 2 331.485 3.123 20 0 EGADLP CCc1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000796141061 1309918518 /nfs/dbraw/zinc/91/85/18/1309918518.db2.gz SHPPRPAGABVZQJ-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP Cn1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000897982345 1310539797 /nfs/dbraw/zinc/53/97/97/1310539797.db2.gz KLUOJAWDPLUREX-UHFFFAOYSA-N 2 2 342.462 3.333 20 0 EGADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]C1CCC2(CC1)OCCO2 ZINC000799727225 1310606454 /nfs/dbraw/zinc/60/64/54/1310606454.db2.gz ZYAGBUZEYCJNGJ-UHFFFAOYSA-N 2 2 336.520 3.308 20 0 EGADLP Cc1[nH]c(C2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1C ZINC000899505968 1317060588 /nfs/dbraw/zinc/06/05/88/1317060588.db2.gz SEZGUQPZQCMCQD-GOSISDBHSA-N 2 2 340.471 3.035 20 0 EGADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1C[NH+](CCC(C)C)C1 ZINC000957075211 1317173218 /nfs/dbraw/zinc/17/32/18/1317173218.db2.gz PBYYGYFYNDNNAT-UHFFFAOYSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)(C(=O)N1CC[NH+](CCC2CCCCCC2)CC1)c1c[nH+]c[nH]1 ZINC000957335683 1317292523 /nfs/dbraw/zinc/29/25/23/1317292523.db2.gz VUGFCQTYKPDDQU-UHFFFAOYSA-N 2 2 346.519 3.192 20 0 EGADLP CC(C)(C)c1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)co1 ZINC000929763449 1328692675 /nfs/dbraw/zinc/69/26/75/1328692675.db2.gz RPBSJHWWEODZMG-UHFFFAOYSA-N 2 2 335.492 3.049 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902429830 1317577756 /nfs/dbraw/zinc/57/77/56/1317577756.db2.gz ACIWSQFYWVUJFT-LBLLVPRASA-N 2 2 330.472 3.103 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902437882 1317578774 /nfs/dbraw/zinc/57/87/74/1317578774.db2.gz KWRRCVVCHATSQO-UQIDSAAFSA-N 2 2 337.467 3.180 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000902481870 1317583052 /nfs/dbraw/zinc/58/30/52/1317583052.db2.gz HMEPHDJYNHTOOG-RDTXWAMCSA-N 2 2 330.476 3.153 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2cccnc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000902513817 1317584902 /nfs/dbraw/zinc/58/49/02/1317584902.db2.gz OOERGNFXMFFIJR-VQTJNVASSA-N 2 2 325.456 3.024 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccccn3)C3CC3)[nH+]c2)C1 ZINC000903139331 1317661619 /nfs/dbraw/zinc/66/16/19/1317661619.db2.gz GWNMJAGFWTWIAX-YLJYHZDGSA-N 2 2 337.471 3.180 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1C ZINC000903813368 1317736626 /nfs/dbraw/zinc/73/66/26/1317736626.db2.gz DPSQYANLBRZZPW-SFHVURJKSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c1C ZINC000903813368 1317736629 /nfs/dbraw/zinc/73/66/29/1317736629.db2.gz DPSQYANLBRZZPW-SFHVURJKSA-N 2 2 329.488 3.225 20 0 EGADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1C ZINC000903815688 1317738384 /nfs/dbraw/zinc/73/83/84/1317738384.db2.gz PNJUAIZJQPSUIP-UHFFFAOYSA-N 2 2 344.499 3.159 20 0 EGADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1C ZINC000903815688 1317738387 /nfs/dbraw/zinc/73/83/87/1317738387.db2.gz PNJUAIZJQPSUIP-UHFFFAOYSA-N 2 2 344.499 3.159 20 0 EGADLP [NH3+][C@H](C[NH2+]Cc1cccnc1Oc1cccc(F)c1)CC(F)F ZINC000903922531 1317749036 /nfs/dbraw/zinc/74/90/36/1317749036.db2.gz YWNVXYDZZBOMJI-ZDUSSCGKSA-N 2 2 325.334 3.085 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245831 1328720653 /nfs/dbraw/zinc/72/06/53/1328720653.db2.gz PEXGRCPNARAAMD-LBPRGKRZSA-N 2 2 341.286 3.463 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245831 1328720658 /nfs/dbraw/zinc/72/06/58/1328720658.db2.gz PEXGRCPNARAAMD-LBPRGKRZSA-N 2 2 341.286 3.463 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000904339183 1317832789 /nfs/dbraw/zinc/83/27/89/1317832789.db2.gz XXNLWIGWNYBTSG-INIZCTEOSA-N 2 2 347.503 3.196 20 0 EGADLP CC(C)(C)OC(=O)NC1CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000809609082 1317843668 /nfs/dbraw/zinc/84/36/68/1317843668.db2.gz CPWOXYTVDQTTOR-UHFFFAOYSA-N 2 2 342.443 3.018 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811466180 1318181285 /nfs/dbraw/zinc/18/12/85/1318181285.db2.gz SNPIMRWHXYURBW-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811466180 1318181289 /nfs/dbraw/zinc/18/12/89/1318181289.db2.gz SNPIMRWHXYURBW-CQSZACIVSA-N 2 2 346.302 3.321 20 0 EGADLP CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[NH+](C)C ZINC000907815240 1318266158 /nfs/dbraw/zinc/26/61/58/1318266158.db2.gz JWJZCDZNBNGYCK-CRAIPNDOSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[NH+](C)C ZINC000907815240 1318266166 /nfs/dbraw/zinc/26/61/66/1318266166.db2.gz JWJZCDZNBNGYCK-CRAIPNDOSA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615341 1318465295 /nfs/dbraw/zinc/46/52/95/1318465295.db2.gz XDUYRYUGARQWAJ-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021615341 1318465297 /nfs/dbraw/zinc/46/52/97/1318465297.db2.gz XDUYRYUGARQWAJ-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000812842317 1318468645 /nfs/dbraw/zinc/46/86/45/1318468645.db2.gz VSMWZTQIEOQZDZ-CYBMUJFWSA-N 2 2 345.516 3.232 20 0 EGADLP Cc1noc(C2CCC([NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)CC2)n1 ZINC000813854961 1318644940 /nfs/dbraw/zinc/64/49/40/1318644940.db2.gz IITKAIAABWJIRN-UYSNPLJNSA-N 2 2 331.464 3.305 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960718606 1318827503 /nfs/dbraw/zinc/82/75/03/1318827503.db2.gz OONCXBWHMDFFOE-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000960718606 1318827511 /nfs/dbraw/zinc/82/75/11/1318827511.db2.gz OONCXBWHMDFFOE-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1Cl ZINC000815127031 1318903627 /nfs/dbraw/zinc/90/36/27/1318903627.db2.gz JSNPQRYKYQPHCB-WFASDCNBSA-N 2 2 338.908 3.308 20 0 EGADLP Cn1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1Cl ZINC000815127031 1318903636 /nfs/dbraw/zinc/90/36/36/1318903636.db2.gz JSNPQRYKYQPHCB-WFASDCNBSA-N 2 2 338.908 3.308 20 0 EGADLP CCc1noc(C)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000815146532 1318911248 /nfs/dbraw/zinc/91/12/48/1318911248.db2.gz RDLHTTPNFFPLHY-UHFFFAOYSA-N 2 2 342.487 3.370 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001022423817 1318935679 /nfs/dbraw/zinc/93/56/79/1318935679.db2.gz JHAMWCLQQVIPSE-CALCHBBNSA-N 2 2 340.471 3.155 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C)C2)c(C)[nH+]1 ZINC001022461948 1318951443 /nfs/dbraw/zinc/95/14/43/1318951443.db2.gz FXWZRGYNPBLPMH-KDURUIRLSA-N 2 2 337.467 3.366 20 0 EGADLP C[C@@H]([NH2+]CCOC1CCSCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000930180038 1328805189 /nfs/dbraw/zinc/80/51/89/1328805189.db2.gz KZSQAFLDNXJHCH-OAHLLOKOSA-N 2 2 331.485 3.435 20 0 EGADLP CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214771 1319341090 /nfs/dbraw/zinc/34/10/90/1319341090.db2.gz TYXFBNYYUCMPOQ-ROUUACIJSA-N 2 2 329.488 3.201 20 0 EGADLP CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)C1 ZINC000961214771 1319341099 /nfs/dbraw/zinc/34/10/99/1319341099.db2.gz TYXFBNYYUCMPOQ-ROUUACIJSA-N 2 2 329.488 3.201 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)CCC[NH2+]1 ZINC000817974981 1319482935 /nfs/dbraw/zinc/48/29/35/1319482935.db2.gz OYVBQDDVIQBGEU-WBMJQRKESA-N 2 2 330.444 3.421 20 0 EGADLP COc1cc(NCc2c[nH+]cn2C(C)C)ccc1OCC[NH+](C)C ZINC000818217724 1319521740 /nfs/dbraw/zinc/52/17/40/1319521740.db2.gz XDXMYAMQRCZZPY-UHFFFAOYSA-N 2 2 332.448 3.025 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@H+]3C(C)C)cc2)c1C ZINC000819994919 1319820135 /nfs/dbraw/zinc/82/01/35/1319820135.db2.gz ZKJLUKNFKDMAJP-GOSISDBHSA-N 2 2 326.444 3.300 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)cc2)c1C ZINC000819994919 1319820143 /nfs/dbraw/zinc/82/01/43/1319820143.db2.gz ZKJLUKNFKDMAJP-GOSISDBHSA-N 2 2 326.444 3.300 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000823517877 1320184922 /nfs/dbraw/zinc/18/49/22/1320184922.db2.gz BHCMEXOBEFVMPJ-BJWYYQGGSA-N 2 2 347.503 3.205 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Cl)c2F)[C@@H](C)C1 ZINC000823848507 1320210845 /nfs/dbraw/zinc/21/08/45/1320210845.db2.gz VWEIHVIVIPBGKB-ZFWWWQNUSA-N 2 2 343.874 3.101 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Cl)c2F)[C@@H](C)C1 ZINC000823848507 1320210853 /nfs/dbraw/zinc/21/08/53/1320210853.db2.gz VWEIHVIVIPBGKB-ZFWWWQNUSA-N 2 2 343.874 3.101 20 0 EGADLP C[C@@]1(C[NH2+]Cc2cc(F)ncc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000824332362 1320249126 /nfs/dbraw/zinc/24/91/26/1320249126.db2.gz IWQQLENYAJRQKL-IBGZPJMESA-N 2 2 331.410 3.362 20 0 EGADLP C[C@@]1(C[NH2+]Cc2cc(F)ncc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000824332362 1320249131 /nfs/dbraw/zinc/24/91/31/1320249131.db2.gz IWQQLENYAJRQKL-IBGZPJMESA-N 2 2 331.410 3.362 20 0 EGADLP C[NH+](C)[C@@H](CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1 ZINC000841382188 1321267321 /nfs/dbraw/zinc/26/73/21/1321267321.db2.gz BHLVREMPUKUSQR-ZWKOTPCHSA-N 2 2 342.487 3.107 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000859216186 1328948874 /nfs/dbraw/zinc/94/88/74/1328948874.db2.gz YWKPFMPROHJWTO-UHFFFAOYSA-N 2 2 342.468 3.492 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000859216186 1328948878 /nfs/dbraw/zinc/94/88/78/1328948878.db2.gz YWKPFMPROHJWTO-UHFFFAOYSA-N 2 2 342.468 3.492 20 0 EGADLP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842755579 1321428189 /nfs/dbraw/zinc/42/81/89/1321428189.db2.gz HDNIXGUBDAIWQR-AEFFLSMTSA-N 2 2 333.520 3.108 20 0 EGADLP C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000843184368 1321483385 /nfs/dbraw/zinc/48/33/85/1321483385.db2.gz JCOPPPQPCSEQSI-CQSZACIVSA-N 2 2 340.431 3.322 20 0 EGADLP CCc1cc2oc(=O)cc(C[NH2+][C@@](C)(C[NH3+])C3CC3)c2cc1Cl ZINC000843355913 1321504805 /nfs/dbraw/zinc/50/48/05/1321504805.db2.gz MFSRCFWUURFAOY-SFHVURJKSA-N 2 2 334.847 3.226 20 0 EGADLP C[C@H](CC(=O)O[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508818 1321714589 /nfs/dbraw/zinc/71/45/89/1321714589.db2.gz KMSMKTSRIYZQGW-AOIWGVFYSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@H](CC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508818 1321714591 /nfs/dbraw/zinc/71/45/91/1321714591.db2.gz KMSMKTSRIYZQGW-AOIWGVFYSA-N 2 2 341.455 3.288 20 0 EGADLP Cc1ccc(N2CC[N@H+](CCCc3c[nH+]cn3C)[C@H](C)C2)cc1C ZINC000846811681 1321811163 /nfs/dbraw/zinc/81/11/63/1321811163.db2.gz OZHLMHYLIXHRQJ-GOSISDBHSA-N 2 2 326.488 3.180 20 0 EGADLP Cc1ccc(N2CC[N@@H+](CCCc3c[nH+]cn3C)[C@H](C)C2)cc1C ZINC000846811681 1321811166 /nfs/dbraw/zinc/81/11/66/1321811166.db2.gz OZHLMHYLIXHRQJ-GOSISDBHSA-N 2 2 326.488 3.180 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834823 1321814688 /nfs/dbraw/zinc/81/46/88/1321814688.db2.gz FYJGCHVIJJQKQB-GOEBONIOSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1cccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834823 1321814690 /nfs/dbraw/zinc/81/46/90/1321814690.db2.gz FYJGCHVIJJQKQB-GOEBONIOSA-N 2 2 337.427 3.329 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)NC(=O)OC(C)(C)C ZINC000848568759 1321978223 /nfs/dbraw/zinc/97/82/23/1321978223.db2.gz QGSBLOITFGCHLW-HZMVEIRTSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)NC(=O)OC(C)(C)C ZINC000848568759 1321978227 /nfs/dbraw/zinc/97/82/27/1321978227.db2.gz QGSBLOITFGCHLW-HZMVEIRTSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000849067496 1322065358 /nfs/dbraw/zinc/06/53/58/1322065358.db2.gz JGHPHVZRKNDXES-HNNXBMFYSA-N 2 2 336.549 3.435 20 0 EGADLP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000849067496 1322065364 /nfs/dbraw/zinc/06/53/64/1322065364.db2.gz JGHPHVZRKNDXES-HNNXBMFYSA-N 2 2 336.549 3.435 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000849350400 1322117291 /nfs/dbraw/zinc/11/72/91/1322117291.db2.gz GOHPCVGJFLJLEY-OAHLLOKOSA-N 2 2 339.524 3.286 20 0 EGADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000849350400 1322117297 /nfs/dbraw/zinc/11/72/97/1322117297.db2.gz GOHPCVGJFLJLEY-OAHLLOKOSA-N 2 2 339.524 3.286 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000930935418 1329012445 /nfs/dbraw/zinc/01/24/45/1329012445.db2.gz UKWKULYEMQBKRA-QGZVFWFLSA-N 2 2 348.450 3.205 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000930935418 1329012447 /nfs/dbraw/zinc/01/24/47/1329012447.db2.gz UKWKULYEMQBKRA-QGZVFWFLSA-N 2 2 348.450 3.205 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(F)F)nc1 ZINC000850433317 1322248400 /nfs/dbraw/zinc/24/84/00/1322248400.db2.gz HXVZZMDRALKWAC-CJNGLKHVSA-N 2 2 339.430 3.313 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491844 1322257525 /nfs/dbraw/zinc/25/75/25/1322257525.db2.gz AGOORHFJNLJOCP-PMPSAXMXSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000850491844 1322257528 /nfs/dbraw/zinc/25/75/28/1322257528.db2.gz AGOORHFJNLJOCP-PMPSAXMXSA-N 2 2 339.524 3.237 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000924667820 1323102498 /nfs/dbraw/zinc/10/24/98/1323102498.db2.gz PEXVJIVCLLSGSJ-DICRZQGBSA-N 2 2 349.494 3.101 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000924667820 1323102504 /nfs/dbraw/zinc/10/25/04/1323102504.db2.gz PEXVJIVCLLSGSJ-DICRZQGBSA-N 2 2 349.494 3.101 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)c1cnn(C)n1 ZINC000924678233 1323108648 /nfs/dbraw/zinc/10/86/48/1323108648.db2.gz AGJQRZUPHOSJJQ-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cnn(C)n1 ZINC000924678233 1323108651 /nfs/dbraw/zinc/10/86/51/1323108651.db2.gz AGJQRZUPHOSJJQ-JKSUJKDBSA-N 2 2 327.476 3.040 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c2ncnn21 ZINC000924677597 1323108748 /nfs/dbraw/zinc/10/87/48/1323108748.db2.gz ZKHFSVBLNLTSAM-LPHOPBHVSA-N 2 2 339.487 3.306 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924690307 1323113881 /nfs/dbraw/zinc/11/38/81/1323113881.db2.gz YSMIAXDRJMQWGW-RBUKOAKNSA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924690307 1323113886 /nfs/dbraw/zinc/11/38/86/1323113886.db2.gz YSMIAXDRJMQWGW-RBUKOAKNSA-N 2 2 328.504 3.178 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cnn(C)n1 ZINC000924693683 1323115918 /nfs/dbraw/zinc/11/59/18/1323115918.db2.gz GCSRUYWGTZMSKO-BRWVUGGUSA-N 2 2 341.503 3.144 20 0 EGADLP ClC(Cl)=CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000852762605 1323238684 /nfs/dbraw/zinc/23/86/84/1323238684.db2.gz QFBMFFUDJRVWRA-UHFFFAOYSA-N 2 2 343.302 3.375 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCCC[C@H]2C[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001025026039 1323832543 /nfs/dbraw/zinc/83/25/43/1323832543.db2.gz MNTPMHGYGWVSNX-SFHVURJKSA-N 2 2 329.488 3.391 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305210 1324138682 /nfs/dbraw/zinc/13/86/82/1324138682.db2.gz USMLWYRHGSIKDK-MSOLQXFVSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305210 1324138688 /nfs/dbraw/zinc/13/86/88/1324138688.db2.gz USMLWYRHGSIKDK-MSOLQXFVSA-N 2 2 346.519 3.165 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424058 1324257758 /nfs/dbraw/zinc/25/77/58/1324257758.db2.gz VWGFECMMSVNACX-FUHWJXTLSA-N 2 2 342.487 3.273 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001025424058 1324257767 /nfs/dbraw/zinc/25/77/67/1324257767.db2.gz VWGFECMMSVNACX-FUHWJXTLSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001025460211 1324304396 /nfs/dbraw/zinc/30/43/96/1324304396.db2.gz XUGFDIQVNPQBFG-VTUYONSCSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001025460211 1324304400 /nfs/dbraw/zinc/30/44/00/1324304400.db2.gz XUGFDIQVNPQBFG-VTUYONSCSA-N 2 2 346.862 3.146 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493461 1324344023 /nfs/dbraw/zinc/34/40/23/1324344023.db2.gz OAAUPIJAGCFOLO-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001025493461 1324344030 /nfs/dbraw/zinc/34/40/30/1324344030.db2.gz OAAUPIJAGCFOLO-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296964 1325082003 /nfs/dbraw/zinc/08/20/03/1325082003.db2.gz GYMIXIYYAPMJTK-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000963296964 1325082009 /nfs/dbraw/zinc/08/20/09/1325082009.db2.gz GYMIXIYYAPMJTK-ROUUACIJSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001026919340 1325082580 /nfs/dbraw/zinc/08/25/80/1325082580.db2.gz HPGOAPGBRDQRTH-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315828 1325099408 /nfs/dbraw/zinc/09/94/08/1325099408.db2.gz ZPSFHHJUCQDVOP-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000963315828 1325099416 /nfs/dbraw/zinc/09/94/16/1325099416.db2.gz ZPSFHHJUCQDVOP-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315828 1325099422 /nfs/dbraw/zinc/09/94/22/1325099422.db2.gz ZPSFHHJUCQDVOP-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000963315828 1325099428 /nfs/dbraw/zinc/09/94/28/1325099428.db2.gz ZPSFHHJUCQDVOP-HKUYNNGSSA-N 2 2 344.503 3.012 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001026954526 1325104329 /nfs/dbraw/zinc/10/43/29/1325104329.db2.gz JBDPUCRNYDKNGX-IAGOWNOFSA-N 2 2 348.450 3.147 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cn(C)cn1 ZINC000925281398 1325113186 /nfs/dbraw/zinc/11/31/86/1325113186.db2.gz XYMNWJMVURXETP-PFRQMTDMSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cn(C)cn1 ZINC000925281398 1325113189 /nfs/dbraw/zinc/11/31/89/1325113189.db2.gz XYMNWJMVURXETP-PFRQMTDMSA-N 2 2 326.488 3.227 20 0 EGADLP Fc1ccc(CN2CCC([NH2+][C@@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925482830 1325169843 /nfs/dbraw/zinc/16/98/43/1325169843.db2.gz YAGPFPIFNUDCQB-LJQANCHMSA-N 2 2 331.479 3.054 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374647 1325180275 /nfs/dbraw/zinc/18/02/75/1325180275.db2.gz RBOMEEVACCBTAX-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000963374647 1325180281 /nfs/dbraw/zinc/18/02/81/1325180281.db2.gz RBOMEEVACCBTAX-MSOLQXFVSA-N 2 2 346.519 3.091 20 0 EGADLP CCOc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1OCC ZINC000925510277 1325184319 /nfs/dbraw/zinc/18/43/19/1325184319.db2.gz TYCXPHSKJGOMHS-VSOXMLEJSA-N 2 2 330.472 3.131 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000925530269 1325193794 /nfs/dbraw/zinc/19/37/94/1325193794.db2.gz CHWDDYKYAWVHRL-FQEVSTJZSA-N 2 2 334.467 3.315 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442403 1325250024 /nfs/dbraw/zinc/25/00/24/1325250024.db2.gz QLVWILYOPWLFJU-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963442403 1325250028 /nfs/dbraw/zinc/25/00/28/1325250028.db2.gz QLVWILYOPWLFJU-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444241 1325250389 /nfs/dbraw/zinc/25/03/89/1325250389.db2.gz VRLLYJUIZIDMCA-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444241 1325250399 /nfs/dbraw/zinc/25/03/99/1325250399.db2.gz VRLLYJUIZIDMCA-RTBURBONSA-N 2 2 346.519 3.022 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccnc(-c4ccccn4)n3)CC[NH2+]2)cc1 ZINC000925761872 1325289669 /nfs/dbraw/zinc/28/96/69/1325289669.db2.gz DSSSLBFBIUGDCZ-FXAWDEMLSA-N 2 2 345.450 3.122 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)c[nH+]1 ZINC000963539001 1325303026 /nfs/dbraw/zinc/30/30/26/1325303026.db2.gz PGWOJIDVAFPOQL-UHFFFAOYSA-N 2 2 346.519 3.086 20 0 EGADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000963955411 1325450055 /nfs/dbraw/zinc/45/00/55/1325450055.db2.gz MRBSLSYHMUZXAC-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595149 1327942098 /nfs/dbraw/zinc/94/20/98/1327942098.db2.gz VUNXPXSTBSGPQU-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595149 1327942105 /nfs/dbraw/zinc/94/21/05/1327942105.db2.gz VUNXPXSTBSGPQU-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596809 1327948019 /nfs/dbraw/zinc/94/80/19/1327948019.db2.gz AWSHUHFHTGMRHD-SJLPKXTDSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001027596809 1327948026 /nfs/dbraw/zinc/94/80/26/1327948026.db2.gz AWSHUHFHTGMRHD-SJLPKXTDSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598910 1327951307 /nfs/dbraw/zinc/95/13/07/1327951307.db2.gz VSPUARIKIXEJCB-DOTOQJQBSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598910 1327951314 /nfs/dbraw/zinc/95/13/14/1327951314.db2.gz VSPUARIKIXEJCB-DOTOQJQBSA-N 2 2 346.500 3.019 20 0 EGADLP C[N@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649294 1328027460 /nfs/dbraw/zinc/02/74/60/1328027460.db2.gz HNELFYHNAXNLKX-QGZVFWFLSA-N 2 2 344.503 3.111 20 0 EGADLP C[N@@H+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649294 1328027469 /nfs/dbraw/zinc/02/74/69/1328027469.db2.gz HNELFYHNAXNLKX-QGZVFWFLSA-N 2 2 344.503 3.111 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000865415685 1329694207 /nfs/dbraw/zinc/69/42/07/1329694207.db2.gz PNFNYZONBBAJSP-QGZVFWFLSA-N 2 2 341.503 3.210 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nn1 ZINC000865415685 1329694209 /nfs/dbraw/zinc/69/42/09/1329694209.db2.gz PNFNYZONBBAJSP-QGZVFWFLSA-N 2 2 341.503 3.210 20 0 EGADLP C/C(=C\C1CCC(C)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865748746 1329734466 /nfs/dbraw/zinc/73/44/66/1329734466.db2.gz ASLMGHGXFFSTMV-SZWKHQKKSA-N 2 2 347.547 3.044 20 0 EGADLP C/C(=C\C1CCC(C)CC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865748746 1329734467 /nfs/dbraw/zinc/73/44/67/1329734467.db2.gz ASLMGHGXFFSTMV-SZWKHQKKSA-N 2 2 347.547 3.044 20 0 EGADLP Cc1nc(CC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)no1 ZINC000932242563 1329799586 /nfs/dbraw/zinc/79/95/86/1329799586.db2.gz QRYFFSJQXOWYRD-UHFFFAOYSA-N 2 2 337.427 3.018 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933244899 1329873842 /nfs/dbraw/zinc/87/38/42/1329873842.db2.gz AZTSQMPRCLKMSQ-BBRMVZONSA-N 2 2 330.394 3.203 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933244899 1329873843 /nfs/dbraw/zinc/87/38/43/1329873843.db2.gz AZTSQMPRCLKMSQ-BBRMVZONSA-N 2 2 330.394 3.203 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183428 1331866898 /nfs/dbraw/zinc/86/68/98/1331866898.db2.gz HEKNLINZMKQEOL-PBHICJAKSA-N 2 2 342.487 3.439 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC000942183428 1331866907 /nfs/dbraw/zinc/86/69/07/1331866907.db2.gz HEKNLINZMKQEOL-PBHICJAKSA-N 2 2 342.487 3.439 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948451799 1333531388 /nfs/dbraw/zinc/53/13/88/1333531388.db2.gz DUVATRPXBLCBJK-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948451799 1333531392 /nfs/dbraw/zinc/53/13/92/1333531392.db2.gz DUVATRPXBLCBJK-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948451799 1333531396 /nfs/dbraw/zinc/53/13/96/1333531396.db2.gz DUVATRPXBLCBJK-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948451799 1333531398 /nfs/dbraw/zinc/53/13/98/1333531398.db2.gz DUVATRPXBLCBJK-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948456145 1333532712 /nfs/dbraw/zinc/53/27/12/1333532712.db2.gz ICPPCSNDZJWYDZ-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000948456145 1333532713 /nfs/dbraw/zinc/53/27/13/1333532713.db2.gz ICPPCSNDZJWYDZ-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948456145 1333532714 /nfs/dbraw/zinc/53/27/14/1333532714.db2.gz ICPPCSNDZJWYDZ-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000948456145 1333532715 /nfs/dbraw/zinc/53/27/15/1333532715.db2.gz ICPPCSNDZJWYDZ-KZNAEPCWSA-N 2 2 346.519 3.262 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@H+](CCC3CC3)CC2)c[nH+]1 ZINC000948473171 1333539566 /nfs/dbraw/zinc/53/95/66/1333539566.db2.gz BCYUREAJTQBBAF-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@@H+](CCC3CC3)CC2)c[nH+]1 ZINC000948473171 1333539567 /nfs/dbraw/zinc/53/95/67/1333539567.db2.gz BCYUREAJTQBBAF-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812750 1333693267 /nfs/dbraw/zinc/69/32/67/1333693267.db2.gz NBDJRSQFRUNHAU-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812750 1333693272 /nfs/dbraw/zinc/69/32/72/1333693272.db2.gz NBDJRSQFRUNHAU-VQIMIIECSA-N 2 2 340.471 3.026 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950469466 1334076748 /nfs/dbraw/zinc/07/67/48/1334076748.db2.gz FDOTVGQXYJUPJF-PXNSSMCTSA-N 2 2 343.515 3.155 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC000950469466 1334076750 /nfs/dbraw/zinc/07/67/50/1334076750.db2.gz FDOTVGQXYJUPJF-PXNSSMCTSA-N 2 2 343.515 3.155 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+][C@@H](C)c4ccccc4)C3)ccn12 ZINC000968670270 1336004024 /nfs/dbraw/zinc/00/40/24/1336004024.db2.gz IQWKPZDKSYFVSY-QFBILLFUSA-N 2 2 348.450 3.208 20 0 EGADLP C[C@H]1CC[N@H+](CCC2CCCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702860 1336017554 /nfs/dbraw/zinc/01/75/54/1336017554.db2.gz POVCCKATEXDVNN-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1CC[N@@H+](CCC2CCCCCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968702860 1336017555 /nfs/dbraw/zinc/01/75/55/1336017555.db2.gz POVCCKATEXDVNN-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)n1cc[nH+]c1 ZINC000970127106 1336282607 /nfs/dbraw/zinc/28/26/07/1336282607.db2.gz HSUQSPGXXMSGAN-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001205939539 1370918412 /nfs/dbraw/zinc/91/84/12/1370918412.db2.gz RDLYMKXPEZRMHY-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001205939539 1370918419 /nfs/dbraw/zinc/91/84/19/1370918419.db2.gz RDLYMKXPEZRMHY-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076605 1336963453 /nfs/dbraw/zinc/96/34/53/1336963453.db2.gz UZYSSQJOYHLNEJ-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009076605 1336963455 /nfs/dbraw/zinc/96/34/55/1336963455.db2.gz UZYSSQJOYHLNEJ-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206806152 1371175035 /nfs/dbraw/zinc/17/50/35/1371175035.db2.gz FUFLUQHSSKAFOU-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1Br ZINC001206806152 1371175038 /nfs/dbraw/zinc/17/50/38/1371175038.db2.gz FUFLUQHSSKAFOU-STQMWFEESA-N 2 2 341.293 3.407 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC001014914212 1337950156 /nfs/dbraw/zinc/95/01/56/1337950156.db2.gz FPSNNHALZICLDD-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCCC3CCCC3)C2)c[nH+]1 ZINC001014914212 1337950160 /nfs/dbraw/zinc/95/01/60/1337950160.db2.gz FPSNNHALZICLDD-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940661 1337961200 /nfs/dbraw/zinc/96/12/00/1337961200.db2.gz KVSKTRQAIXDBKW-KRWDZBQOSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014940661 1337961204 /nfs/dbraw/zinc/96/12/04/1337961204.db2.gz KVSKTRQAIXDBKW-KRWDZBQOSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC23CC[NH+](CC[C@@H](C)F)CC3)c(C)[nH+]1 ZINC001016742573 1338709333 /nfs/dbraw/zinc/70/93/33/1338709333.db2.gz LUGZLAFKVGTXJG-RHSMWYFYSA-N 2 2 347.478 3.339 20 0 EGADLP Cc1[nH+]cc2n1CC[N@H+](CCCc1cccc(Br)c1)C2 ZINC001208823828 1371907394 /nfs/dbraw/zinc/90/73/94/1371907394.db2.gz YTPWIWACGSZQRF-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCc1cccc(Br)c1)C2 ZINC001208823828 1371907389 /nfs/dbraw/zinc/90/73/89/1371907389.db2.gz YTPWIWACGSZQRF-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001029495869 1341000553 /nfs/dbraw/zinc/00/05/53/1341000553.db2.gz VPKJIXUIVATHTE-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001029495869 1341000555 /nfs/dbraw/zinc/00/05/55/1341000555.db2.gz VPKJIXUIVATHTE-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001030001184 1341152822 /nfs/dbraw/zinc/15/28/22/1341152822.db2.gz QRDIJPWZBZRVEY-HFCFLWKCSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001030001184 1341152824 /nfs/dbraw/zinc/15/28/24/1341152824.db2.gz QRDIJPWZBZRVEY-HFCFLWKCSA-N 2 2 346.519 3.051 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC2C[NH+](CCC3CCCCCC3)C2)c[nH+]1 ZINC001030514152 1341193540 /nfs/dbraw/zinc/19/35/40/1341193540.db2.gz GZUFQERKGKYXAK-UHFFFAOYSA-N 2 2 346.519 3.088 20 0 EGADLP O=C(NCC1C[NH+](CCC2=CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031773720 1341400080 /nfs/dbraw/zinc/40/00/80/1341400080.db2.gz YXWJCEFGHKYNKM-UHFFFAOYSA-N 2 2 338.455 3.115 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001033595832 1341889269 /nfs/dbraw/zinc/88/92/69/1341889269.db2.gz VLFGFBCYBGZPDG-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001033595832 1341889270 /nfs/dbraw/zinc/88/92/70/1341889270.db2.gz VLFGFBCYBGZPDG-KRWDZBQOSA-N 2 2 346.519 3.190 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950042 1342108554 /nfs/dbraw/zinc/10/85/54/1342108554.db2.gz OHWIAYMBXXWXND-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950042 1342108557 /nfs/dbraw/zinc/10/85/57/1342108557.db2.gz OHWIAYMBXXWXND-DLBZAZTESA-N 2 2 346.519 3.189 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271475 1342361856 /nfs/dbraw/zinc/36/18/56/1342361856.db2.gz NIBSONNJNZVQGM-GOEBONIOSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271475 1342361859 /nfs/dbraw/zinc/36/18/59/1342361859.db2.gz NIBSONNJNZVQGM-GOEBONIOSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001034761959 1342742775 /nfs/dbraw/zinc/74/27/75/1342742775.db2.gz VSUCOFQDTYDFHW-KBAYOESNSA-N 2 2 340.471 3.039 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035191541 1343006331 /nfs/dbraw/zinc/00/63/31/1343006331.db2.gz ZISXWLMKELTABO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035191541 1343006334 /nfs/dbraw/zinc/00/63/34/1343006334.db2.gz ZISXWLMKELTABO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035191541 1343006337 /nfs/dbraw/zinc/00/63/37/1343006337.db2.gz ZISXWLMKELTABO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035191541 1343006341 /nfs/dbraw/zinc/00/63/41/1343006341.db2.gz ZISXWLMKELTABO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001036473835 1343504732 /nfs/dbraw/zinc/50/47/32/1343504732.db2.gz VOPGJBAGBZYGME-WBVHZDCISA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001037218350 1344050493 /nfs/dbraw/zinc/05/04/93/1344050493.db2.gz XSPFGKCOWMMSKJ-IEBWSBKVSA-N 2 2 340.471 3.159 20 0 EGADLP CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1[NH2+]CC(C)C ZINC001037858853 1344144661 /nfs/dbraw/zinc/14/46/61/1344144661.db2.gz YYJGTCATLGFUQA-AEFFLSMTSA-N 2 2 342.487 3.129 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214334 1344929883 /nfs/dbraw/zinc/92/98/83/1344929883.db2.gz RYSJDFMXYJWBBX-DNVCBOLYSA-N 2 2 340.471 3.290 20 0 EGADLP CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214334 1344929884 /nfs/dbraw/zinc/92/98/84/1344929884.db2.gz RYSJDFMXYJWBBX-DNVCBOLYSA-N 2 2 340.471 3.290 20 0 EGADLP CCC(CC)C[NH+]1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001042822487 1346119233 /nfs/dbraw/zinc/11/92/33/1346119233.db2.gz XEHWTINWGCEPNN-UHFFFAOYSA-N 2 2 337.533 3.002 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001044006919 1346233173 /nfs/dbraw/zinc/23/31/73/1346233173.db2.gz YSDGYRWHBQYNLX-PXNSSMCTSA-N 2 2 343.515 3.153 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001044006919 1346233178 /nfs/dbraw/zinc/23/31/78/1346233178.db2.gz YSDGYRWHBQYNLX-PXNSSMCTSA-N 2 2 343.515 3.153 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001044189977 1346269686 /nfs/dbraw/zinc/26/96/86/1346269686.db2.gz QNVGZFNELOWGNX-HOTGVXAUSA-N 2 2 346.519 3.046 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCC4CC4)C[C@H]3C)ccn12 ZINC001044604099 1346380703 /nfs/dbraw/zinc/38/07/03/1346380703.db2.gz GTPPDYAKPFKZLZ-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001044802765 1346431227 /nfs/dbraw/zinc/43/12/27/1346431227.db2.gz YUVHXPQKBSWPDN-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001044843020 1346442790 /nfs/dbraw/zinc/44/27/90/1346442790.db2.gz SXQRHGIPFZEQRP-QAPCUYQASA-N 2 2 344.503 3.120 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045092019 1346493429 /nfs/dbraw/zinc/49/34/29/1346493429.db2.gz PIJWARJGIYINJQ-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969437 1346804608 /nfs/dbraw/zinc/80/46/08/1346804608.db2.gz QNWJKKGIQVWNPQ-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045969437 1346804610 /nfs/dbraw/zinc/80/46/10/1346804610.db2.gz QNWJKKGIQVWNPQ-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513020 1347000324 /nfs/dbraw/zinc/00/03/24/1347000324.db2.gz QBLPZQGUWSVVPX-FQEVSTJZSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513020 1347000326 /nfs/dbraw/zinc/00/03/26/1347000326.db2.gz QBLPZQGUWSVVPX-FQEVSTJZSA-N 2 2 338.455 3.033 20 0 EGADLP CC[N@H+](C)Cc1ccccc1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001050245918 1348217928 /nfs/dbraw/zinc/21/79/28/1348217928.db2.gz VNPRBHKUWVCSKA-UHFFFAOYSA-N 2 2 336.439 3.024 20 0 EGADLP CC[N@@H+](C)Cc1ccccc1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001050245918 1348217932 /nfs/dbraw/zinc/21/79/32/1348217932.db2.gz VNPRBHKUWVCSKA-UHFFFAOYSA-N 2 2 336.439 3.024 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970817 1348780345 /nfs/dbraw/zinc/78/03/45/1348780345.db2.gz YOYFIPLJPBXFLA-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970817 1348780347 /nfs/dbraw/zinc/78/03/47/1348780347.db2.gz YOYFIPLJPBXFLA-OALUTQOASA-N 2 2 340.471 3.005 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082836 1348904318 /nfs/dbraw/zinc/90/43/18/1348904318.db2.gz HLYBDLXMLSKXKX-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053082836 1348904321 /nfs/dbraw/zinc/90/43/21/1348904321.db2.gz HLYBDLXMLSKXKX-ZWKOTPCHSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228636 1349222223 /nfs/dbraw/zinc/22/22/23/1349222223.db2.gz VNFQUISTKQNRRW-OXQOHEQNSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228636 1349222228 /nfs/dbraw/zinc/22/22/28/1349222228.db2.gz VNFQUISTKQNRRW-OXQOHEQNSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCC1CCCC1 ZINC001054798032 1349464728 /nfs/dbraw/zinc/46/47/28/1349464728.db2.gz OWBAVEMZFKHZQV-IFXJQAMLSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC001054951348 1349526259 /nfs/dbraw/zinc/52/62/59/1349526259.db2.gz LYAWWVTYCKYQAT-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777915 1360040767 /nfs/dbraw/zinc/04/07/67/1360040767.db2.gz ZCHAYGKNMNWFDX-APWZRJJASA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001088777915 1360040770 /nfs/dbraw/zinc/04/07/70/1360040770.db2.gz ZCHAYGKNMNWFDX-APWZRJJASA-N 2 2 340.471 3.111 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001074078316 1356071689 /nfs/dbraw/zinc/07/16/89/1356071689.db2.gz RREFSZHNWIHDCC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001074078316 1356071694 /nfs/dbraw/zinc/07/16/94/1356071694.db2.gz RREFSZHNWIHDCC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC001074078316 1356071696 /nfs/dbraw/zinc/07/16/96/1356071696.db2.gz RREFSZHNWIHDCC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001074078316 1356071699 /nfs/dbraw/zinc/07/16/99/1356071699.db2.gz RREFSZHNWIHDCC-VQIMIIECSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001086154944 1359010674 /nfs/dbraw/zinc/01/06/74/1359010674.db2.gz GTTYPTRDUMIOFK-UANGJCRASA-N 2 2 329.488 3.151 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935546 1359258911 /nfs/dbraw/zinc/25/89/11/1359258911.db2.gz UGOSAPRYBYJRSO-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001086954568 1359275132 /nfs/dbraw/zinc/27/51/32/1359275132.db2.gz OGRVHGHMIQKUHW-JKSUJKDBSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087158192 1359309675 /nfs/dbraw/zinc/30/96/75/1359309675.db2.gz QJWCSUQCUSGMOU-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001087847480 1359679623 /nfs/dbraw/zinc/67/96/23/1359679623.db2.gz ASMHELJLEUSZMF-ZWKOTPCHSA-N 2 2 346.519 3.069 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC001087847480 1359679627 /nfs/dbraw/zinc/67/96/27/1359679627.db2.gz ASMHELJLEUSZMF-ZWKOTPCHSA-N 2 2 346.519 3.069 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088419198 1359889222 /nfs/dbraw/zinc/88/92/22/1359889222.db2.gz JZDXXWMTSVBYKP-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)c1 ZINC001088662959 1360006386 /nfs/dbraw/zinc/00/63/86/1360006386.db2.gz JIJBGGXPDKMWGA-QAPCUYQASA-N 2 2 348.450 3.264 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)c1 ZINC001088662959 1360006389 /nfs/dbraw/zinc/00/63/89/1360006389.db2.gz JIJBGGXPDKMWGA-QAPCUYQASA-N 2 2 348.450 3.264 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089185734 1360236436 /nfs/dbraw/zinc/23/64/36/1360236436.db2.gz JVSMQTONKMUCGL-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001089185734 1360236441 /nfs/dbraw/zinc/23/64/41/1360236441.db2.gz JVSMQTONKMUCGL-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089185734 1360236445 /nfs/dbraw/zinc/23/64/45/1360236445.db2.gz JVSMQTONKMUCGL-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP C[N@H+](CC1=CCCCC1)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001089185734 1360236449 /nfs/dbraw/zinc/23/64/49/1360236449.db2.gz JVSMQTONKMUCGL-IBGZPJMESA-N 2 2 344.503 3.156 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)c(C)[nH+]1 ZINC001184454057 1387464334 /nfs/dbraw/zinc/46/43/34/1387464334.db2.gz QAKHKRUGLYBDET-KBXCAEBGSA-N 2 2 331.504 3.493 20 0 EGADLP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184651963 1387503528 /nfs/dbraw/zinc/50/35/28/1387503528.db2.gz JLEOZCWXOCMUET-HOTGVXAUSA-N 2 2 340.471 3.217 20 0 EGADLP CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095414445 1362132604 /nfs/dbraw/zinc/13/26/04/1362132604.db2.gz YCVZEZNBETXVMP-ZSGPHXLJSA-N 2 2 340.471 3.024 20 0 EGADLP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001095414445 1362132606 /nfs/dbraw/zinc/13/26/06/1362132606.db2.gz YCVZEZNBETXVMP-ZSGPHXLJSA-N 2 2 340.471 3.024 20 0 EGADLP C[C@H](CC(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001324332713 1387594137 /nfs/dbraw/zinc/59/41/37/1387594137.db2.gz AQLPUFIEYRYPKL-QGZVFWFLSA-N 2 2 346.519 3.385 20 0 EGADLP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336856 1362939380 /nfs/dbraw/zinc/93/93/80/1362939380.db2.gz RWGWGRJVTRPIMC-SUMDDJOVSA-N 2 2 340.471 3.334 20 0 EGADLP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001097336856 1362939387 /nfs/dbraw/zinc/93/93/87/1362939387.db2.gz RWGWGRJVTRPIMC-SUMDDJOVSA-N 2 2 340.471 3.334 20 0 EGADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001097338413 1362940628 /nfs/dbraw/zinc/94/06/28/1362940628.db2.gz MFZSTCBHFZPQGE-POAQFYNOSA-N 2 2 346.434 3.098 20 0 EGADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001097338413 1362940631 /nfs/dbraw/zinc/94/06/31/1362940631.db2.gz MFZSTCBHFZPQGE-POAQFYNOSA-N 2 2 346.434 3.098 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357962 1363771105 /nfs/dbraw/zinc/77/11/05/1363771105.db2.gz CWXNGXHOCHNHKP-QZTJIDSGSA-N 2 2 348.535 3.316 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357962 1363771108 /nfs/dbraw/zinc/77/11/08/1363771108.db2.gz CWXNGXHOCHNHKP-QZTJIDSGSA-N 2 2 348.535 3.316 20 0 EGADLP CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001101574015 1364628188 /nfs/dbraw/zinc/62/81/88/1364628188.db2.gz NLESBGXFWNSEKY-MRXNPFEDSA-N 2 2 346.519 3.094 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C(C)(C)C[NH2+]CCC(C)C)CC1 ZINC001101592231 1364643602 /nfs/dbraw/zinc/64/36/02/1364643602.db2.gz SYDYGFAIIOPIGE-UHFFFAOYSA-N 2 2 348.535 3.161 20 0 EGADLP CC/C=C\CC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088181 1364848039 /nfs/dbraw/zinc/84/80/39/1364848039.db2.gz QLTWWXQTUJGJOO-XQJUWPJRSA-N 2 2 340.471 3.217 20 0 EGADLP CC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088181 1364848042 /nfs/dbraw/zinc/84/80/42/1364848042.db2.gz QLTWWXQTUJGJOO-XQJUWPJRSA-N 2 2 340.471 3.217 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350839 1365016914 /nfs/dbraw/zinc/01/69/14/1365016914.db2.gz AMMIHSDVLBFXRC-ZACQAIPSSA-N 2 2 346.519 3.094 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350839 1365016918 /nfs/dbraw/zinc/01/69/18/1365016918.db2.gz AMMIHSDVLBFXRC-ZACQAIPSSA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185493870 1387731508 /nfs/dbraw/zinc/73/15/08/1387731508.db2.gz YPAZBCZEQGKWKC-DOTOQJQBSA-N 2 2 348.535 3.198 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145772 1365408181 /nfs/dbraw/zinc/40/81/81/1365408181.db2.gz PWGKVDFIFDRBNP-BZUAXINKSA-N 2 2 342.487 3.297 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145772 1365408185 /nfs/dbraw/zinc/40/81/85/1365408185.db2.gz PWGKVDFIFDRBNP-BZUAXINKSA-N 2 2 342.487 3.297 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185571640 1387752314 /nfs/dbraw/zinc/75/23/14/1387752314.db2.gz FEZABPHQURAXTH-RDJZCZTQSA-N 2 2 348.535 3.161 20 0 EGADLP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001104132980 1365921464 /nfs/dbraw/zinc/92/14/64/1365921464.db2.gz KPLRJDQJOGBEOJ-PJHKVULZSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788301 1387799257 /nfs/dbraw/zinc/79/92/57/1387799257.db2.gz MTEATADUIJENAF-MOPGFXCFSA-N 2 2 348.535 3.174 20 0 EGADLP CCCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105585674 1366544037 /nfs/dbraw/zinc/54/40/37/1366544037.db2.gz UUUVRDSSXLLLHH-GOSISDBHSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106279050 1366641598 /nfs/dbraw/zinc/64/15/98/1366641598.db2.gz WKYRWPDIPODCGK-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106279050 1366641601 /nfs/dbraw/zinc/64/16/01/1366641601.db2.gz WKYRWPDIPODCGK-QBPKDAKJSA-N 2 2 346.519 3.024 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710311 1366777661 /nfs/dbraw/zinc/77/76/61/1366777661.db2.gz GBUGCHZFPYLUMV-IOIJZZRGSA-N 2 2 346.519 3.265 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001324944033 1387839458 /nfs/dbraw/zinc/83/94/58/1387839458.db2.gz BMLGBVIVRQYOSY-IAGOWNOFSA-N 2 2 340.471 3.172 20 0 EGADLP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433364 1367118481 /nfs/dbraw/zinc/11/84/81/1367118481.db2.gz LFPJAOYWVCSYSJ-XWSJACJDSA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433364 1367118484 /nfs/dbraw/zinc/11/84/84/1367118484.db2.gz LFPJAOYWVCSYSJ-XWSJACJDSA-N 2 2 346.519 3.238 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([N@@H+](C)CCCC(C)C)C3)ccn12 ZINC001190176670 1367191690 /nfs/dbraw/zinc/19/16/90/1367191690.db2.gz OJWKPCHFLCCWNZ-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([N@H+](C)CCCC(C)C)C3)ccn12 ZINC001190176670 1367191693 /nfs/dbraw/zinc/19/16/93/1367191693.db2.gz OJWKPCHFLCCWNZ-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001109772101 1367313647 /nfs/dbraw/zinc/31/36/47/1367313647.db2.gz FSROJJQXUFCTNJ-YSHGAJCASA-N 2 2 342.487 3.056 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001109772101 1367313654 /nfs/dbraw/zinc/31/36/54/1367313654.db2.gz FSROJJQXUFCTNJ-YSHGAJCASA-N 2 2 342.487 3.056 20 0 EGADLP CC(C)CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933055 1367385144 /nfs/dbraw/zinc/38/51/44/1367385144.db2.gz FUNHPNVEOUJPNQ-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933055 1367385148 /nfs/dbraw/zinc/38/51/48/1367385148.db2.gz FUNHPNVEOUJPNQ-INIZCTEOSA-N 2 2 328.460 3.145 20 0 EGADLP CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321451 1367476139 /nfs/dbraw/zinc/47/61/39/1367476139.db2.gz VCAIKLQOZSWOAV-OSJSJHBBSA-N 2 2 340.471 3.227 20 0 EGADLP CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321451 1367476143 /nfs/dbraw/zinc/47/61/43/1367476143.db2.gz VCAIKLQOZSWOAV-OSJSJHBBSA-N 2 2 340.471 3.227 20 0 EGADLP CC(C)CCC[N@@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242406 1368574100 /nfs/dbraw/zinc/57/41/00/1368574100.db2.gz HAWRNFYVUGVBBT-LJQANCHMSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)CCC[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242406 1368574103 /nfs/dbraw/zinc/57/41/03/1368574103.db2.gz HAWRNFYVUGVBBT-LJQANCHMSA-N 2 2 348.535 3.441 20 0 EGADLP CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537381 1368919186 /nfs/dbraw/zinc/91/91/86/1368919186.db2.gz DCLQEPXNGBTCQQ-HBFSDRIKSA-N 2 2 344.503 3.019 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001201182865 1369491385 /nfs/dbraw/zinc/49/13/85/1369491385.db2.gz OPOCPSFXZHGJNE-FAFZWHIHSA-N 2 2 346.519 3.097 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001113684225 1369563844 /nfs/dbraw/zinc/56/38/44/1369563844.db2.gz UMJYVHDPUIKEFG-ROUKRRSUSA-N 2 2 343.515 3.180 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCCC(C)(C)C)CC1)c1ccccc1 ZINC001113684064 1369564019 /nfs/dbraw/zinc/56/40/19/1369564019.db2.gz LPEVOBNJNHGFKX-IBGZPJMESA-N 2 2 345.531 3.260 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CCCOC(C)C)CC2)c(C)[nH+]1 ZINC001201711762 1369608798 /nfs/dbraw/zinc/60/87/98/1369608798.db2.gz JPIJPKKANGZLNK-UHFFFAOYSA-N 2 2 347.503 3.016 20 0 EGADLP C[C@H](CCC1CC1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001202110446 1369689528 /nfs/dbraw/zinc/68/95/28/1369689528.db2.gz ATWAUTSTWGPXET-QGZVFWFLSA-N 2 2 332.488 3.066 20 0 EGADLP CCC/C=C\CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446365 1369773376 /nfs/dbraw/zinc/77/33/76/1369773376.db2.gz AZXDLWAZJUDLOQ-CHYADLBTSA-N 2 2 344.503 3.157 20 0 EGADLP Cc1cc(NCc2c[nH+]cn2C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001325735415 1388036769 /nfs/dbraw/zinc/03/67/69/1388036769.db2.gz FDYHCVLDAISLPF-UHFFFAOYSA-N 2 2 327.476 3.136 20 0 EGADLP CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161143 1370005553 /nfs/dbraw/zinc/00/55/53/1370005553.db2.gz PMUHVXUEZDWCBM-IAGOWNOFSA-N 2 2 340.471 3.155 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(C)[nH+]c1C ZINC001203374449 1370104009 /nfs/dbraw/zinc/10/40/09/1370104009.db2.gz ZUYOYODIJFJZJY-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP COC(=O)c1cccc2[nH+]cc(Nc3cc[nH+]c4cc(OC)ccc34)n21 ZINC001203524374 1370154527 /nfs/dbraw/zinc/15/45/27/1370154527.db2.gz YIFWDHQQCKIUKT-UHFFFAOYSA-N 2 2 348.362 3.421 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659498 1370205924 /nfs/dbraw/zinc/20/59/24/1370205924.db2.gz IBCKIYXBTWGJMI-VGRIIWOTSA-N 2 2 344.503 3.024 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC001203691599 1370221699 /nfs/dbraw/zinc/22/16/99/1370221699.db2.gz UHMRTPIPAZWXQW-UHFFFAOYSA-N 2 2 341.377 3.335 20 0 EGADLP COc1cc(C)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1C ZINC001203761056 1370253944 /nfs/dbraw/zinc/25/39/44/1370253944.db2.gz TUJYGHWGGMAMHV-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP COc1cc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1C ZINC001203761056 1370253946 /nfs/dbraw/zinc/25/39/46/1370253946.db2.gz TUJYGHWGGMAMHV-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C12CCC2 ZINC001203813394 1370274172 /nfs/dbraw/zinc/27/41/72/1370274172.db2.gz CLXIDYPUIKNIIF-DLBZAZTESA-N 2 2 346.519 3.117 20 0 EGADLP COc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001204113199 1370380639 /nfs/dbraw/zinc/38/06/39/1370380639.db2.gz WLPVSJOEHOJHTI-HOTGVXAUSA-N 2 2 344.480 3.026 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(OC)c1C ZINC001204265366 1370426091 /nfs/dbraw/zinc/42/60/91/1370426091.db2.gz GACSMXBAAMRNEQ-KRWDZBQOSA-N 2 2 342.439 3.369 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(OC)c1C ZINC001204265366 1370426095 /nfs/dbraw/zinc/42/60/95/1370426095.db2.gz GACSMXBAAMRNEQ-KRWDZBQOSA-N 2 2 342.439 3.369 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001204361952 1370453551 /nfs/dbraw/zinc/45/35/51/1370453551.db2.gz NNAFHMWZVGBYGH-QGZVFWFLSA-N 2 2 342.439 3.451 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001204361952 1370453553 /nfs/dbraw/zinc/45/35/53/1370453553.db2.gz NNAFHMWZVGBYGH-QGZVFWFLSA-N 2 2 342.439 3.451 20 0 EGADLP Cn1c[nH+]c2cccc(Nc3cccc(CC[NH+]4CCOCC4)c3)c21 ZINC001204397088 1370466200 /nfs/dbraw/zinc/46/62/00/1370466200.db2.gz FWFXOKPCPJWIKR-UHFFFAOYSA-N 2 2 336.439 3.192 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115567030 1370567572 /nfs/dbraw/zinc/56/75/72/1370567572.db2.gz KYGNPTVKOFXFFP-UHFFFAOYSA-N 2 2 344.503 3.251 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CC2=CCCCC2)CCCCC1 ZINC001115567030 1370567574 /nfs/dbraw/zinc/56/75/74/1370567574.db2.gz KYGNPTVKOFXFFP-UHFFFAOYSA-N 2 2 344.503 3.251 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CC3CCC3)CCCCC2)c[nH+]1 ZINC001115591862 1370593037 /nfs/dbraw/zinc/59/30/37/1370593037.db2.gz ITNJWCHLDYAJJH-UHFFFAOYSA-N 2 2 346.519 3.135 20 0 EGADLP O=C(NCC1([NH2+]CC2CCC2)CCCCC1)c1cccc2[nH+]ccn21 ZINC001115627902 1370621213 /nfs/dbraw/zinc/62/12/13/1370621213.db2.gz XWXTWQHQKIRCSL-UHFFFAOYSA-N 2 2 340.471 3.157 20 0 EGADLP CC[C@H](F)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627655 1370621250 /nfs/dbraw/zinc/62/12/50/1370621250.db2.gz KXMCNTDNYAJQJC-HNNXBMFYSA-N 2 2 346.450 3.105 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001205046974 1370637840 /nfs/dbraw/zinc/63/78/40/1370637840.db2.gz XTGFMEFHWLQXJZ-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001205046974 1370637843 /nfs/dbraw/zinc/63/78/43/1370637843.db2.gz XTGFMEFHWLQXJZ-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)cc1F ZINC001205318124 1370720052 /nfs/dbraw/zinc/72/00/52/1370720052.db2.gz RWCGACYLIIBYCP-GXFFZTMASA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Br)cc1F ZINC001205318124 1370720053 /nfs/dbraw/zinc/72/00/53/1370720053.db2.gz RWCGACYLIIBYCP-GXFFZTMASA-N 2 2 329.257 3.313 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc3cccc(Br)c3n2)C[C@H]1C[NH3+] ZINC001205318105 1370720127 /nfs/dbraw/zinc/72/01/27/1370720127.db2.gz RUKJFABWTSSCEI-GXTWGEPZSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc3cccc(Br)c3n2)C[C@H]1C[NH3+] ZINC001205318105 1370720130 /nfs/dbraw/zinc/72/01/30/1370720130.db2.gz RUKJFABWTSSCEI-GXTWGEPZSA-N 2 2 348.288 3.414 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205317705 1370720314 /nfs/dbraw/zinc/72/03/14/1370720314.db2.gz PPIRIFAIKPIHGX-CMPLNLGQSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1Br ZINC001205317705 1370720316 /nfs/dbraw/zinc/72/03/16/1370720316.db2.gz PPIRIFAIKPIHGX-CMPLNLGQSA-N 2 2 329.257 3.313 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205319299 1370721318 /nfs/dbraw/zinc/72/13/18/1370721318.db2.gz YUSXIAZAYYNJQI-OCCSQVGLSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205319299 1370721319 /nfs/dbraw/zinc/72/13/19/1370721319.db2.gz YUSXIAZAYYNJQI-OCCSQVGLSA-N 2 2 341.293 3.183 20 0 EGADLP CCC[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCCC1 ZINC001115773346 1370756325 /nfs/dbraw/zinc/75/63/25/1370756325.db2.gz YIJLMDBHRUXBMX-UHFFFAOYSA-N 2 2 342.487 3.004 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205450045 1370759712 /nfs/dbraw/zinc/75/97/12/1370759712.db2.gz UVQKSTCGGRHDGH-CQSZACIVSA-N 2 2 337.345 3.457 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205450045 1370759714 /nfs/dbraw/zinc/75/97/14/1370759714.db2.gz UVQKSTCGGRHDGH-CQSZACIVSA-N 2 2 337.345 3.457 20 0 EGADLP CCC(CC)(CNC(=O)[C@@H](C)n1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC001116036612 1370824934 /nfs/dbraw/zinc/82/49/34/1370824934.db2.gz LKFLCHCBFINPBW-DLBZAZTESA-N 2 2 342.487 3.470 20 0 EGADLP CCc1cccc(OCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1 ZINC001116065505 1370830172 /nfs/dbraw/zinc/83/01/72/1370830172.db2.gz RQFAHBJEDIEROA-UHFFFAOYSA-N 2 2 336.395 3.156 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCOc1ccccc1F ZINC001116067252 1370831535 /nfs/dbraw/zinc/83/15/35/1370831535.db2.gz QOTNQNYVKNUFEJ-UHFFFAOYSA-N 2 2 340.358 3.122 20 0 EGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001205795183 1370873499 /nfs/dbraw/zinc/87/34/99/1370873499.db2.gz DGZVURKWVNOGJX-INIZCTEOSA-N 2 2 347.409 3.173 20 0 EGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(-c2ccccc2)cn1 ZINC001205795183 1370873501 /nfs/dbraw/zinc/87/35/01/1370873501.db2.gz DGZVURKWVNOGJX-INIZCTEOSA-N 2 2 347.409 3.173 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814350 1370880937 /nfs/dbraw/zinc/88/09/37/1370880937.db2.gz CCTWSQQHXZGVEO-HOCLYGCPSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814350 1370880939 /nfs/dbraw/zinc/88/09/39/1370880939.db2.gz CCTWSQQHXZGVEO-HOCLYGCPSA-N 2 2 328.456 3.416 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828488 1370885502 /nfs/dbraw/zinc/88/55/02/1370885502.db2.gz LOJJXKWZPCTSDI-AAEUAGOBSA-N 2 2 334.357 3.483 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(OC(F)(F)C(F)F)cc2)C1 ZINC001205828488 1370885505 /nfs/dbraw/zinc/88/55/05/1370885505.db2.gz LOJJXKWZPCTSDI-AAEUAGOBSA-N 2 2 334.357 3.483 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC001205888974 1370901661 /nfs/dbraw/zinc/90/16/61/1370901661.db2.gz MINYPIRJIISDRI-QRWLVFNGSA-N 2 2 338.451 3.309 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@@H]([NH3+])C3)cc2)cc1 ZINC001205888974 1370901664 /nfs/dbraw/zinc/90/16/64/1370901664.db2.gz MINYPIRJIISDRI-QRWLVFNGSA-N 2 2 338.451 3.309 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901023 1370904828 /nfs/dbraw/zinc/90/48/28/1370904828.db2.gz AOMVKVDHNPZMGD-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901023 1370904830 /nfs/dbraw/zinc/90/48/30/1370904830.db2.gz AOMVKVDHNPZMGD-QWHCGFSZSA-N 2 2 341.293 3.407 20 0 EGADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923250 1370912232 /nfs/dbraw/zinc/91/22/32/1370912232.db2.gz LOCXYVKEXVRGIB-QWRGUYRKSA-N 2 2 342.365 3.021 20 0 EGADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923250 1370912238 /nfs/dbraw/zinc/91/22/38/1370912238.db2.gz LOCXYVKEXVRGIB-QWRGUYRKSA-N 2 2 342.365 3.021 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206173638 1370979689 /nfs/dbraw/zinc/97/96/89/1370979689.db2.gz IXONXWVLQBWVMG-GJZGRUSLSA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2nc(Cl)c(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2c1 ZINC001206173638 1370979691 /nfs/dbraw/zinc/97/96/91/1370979691.db2.gz IXONXWVLQBWVMG-GJZGRUSLSA-N 2 2 337.826 3.158 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001206428391 1371052305 /nfs/dbraw/zinc/05/23/05/1371052305.db2.gz ZKHZJPFNDHNPQW-XFHJGTJQSA-N 2 2 346.519 3.409 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001206566349 1371095821 /nfs/dbraw/zinc/09/58/21/1371095821.db2.gz ZZSXXPUYBUMOSG-LJQANCHMSA-N 2 2 329.444 3.205 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001206566349 1371095825 /nfs/dbraw/zinc/09/58/25/1371095825.db2.gz ZZSXXPUYBUMOSG-LJQANCHMSA-N 2 2 329.444 3.205 20 0 EGADLP [NH3+]C1(c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2F)CC1 ZINC001206734130 1371148667 /nfs/dbraw/zinc/14/86/67/1371148667.db2.gz RZNCWYFFLDOUOH-UHFFFAOYSA-N 2 2 326.415 3.273 20 0 EGADLP COc1cc(C)ccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001206747875 1371152025 /nfs/dbraw/zinc/15/20/25/1371152025.db2.gz BMKPWNUYMZBAJM-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)ccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001206747875 1371152030 /nfs/dbraw/zinc/15/20/30/1371152030.db2.gz BMKPWNUYMZBAJM-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001206747875 1371152033 /nfs/dbraw/zinc/15/20/33/1371152033.db2.gz BMKPWNUYMZBAJM-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP COc1cc(C)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001206747875 1371152036 /nfs/dbraw/zinc/15/20/36/1371152036.db2.gz BMKPWNUYMZBAJM-OAQYLSRUSA-N 2 2 346.515 3.326 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1cccc(F)c1N1CC[NH+](C)CC1 ZINC001206754762 1371154698 /nfs/dbraw/zinc/15/46/98/1371154698.db2.gz LCGBDWNSRXZXMP-UHFFFAOYSA-N 2 2 343.450 3.091 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206969871 1371251826 /nfs/dbraw/zinc/25/18/26/1371251826.db2.gz QNNJRBOTNMFZGV-PLNGDYQASA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206970005 1371252324 /nfs/dbraw/zinc/25/23/24/1371252324.db2.gz XDGWMXUULYOJHG-GOSISDBHSA-N 2 2 348.535 3.174 20 0 EGADLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207010727 1371265894 /nfs/dbraw/zinc/26/58/94/1371265894.db2.gz UJGRANAJYBLEBI-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc[nH]c2=O)CC1 ZINC001207010727 1371265901 /nfs/dbraw/zinc/26/59/01/1371265901.db2.gz UJGRANAJYBLEBI-UHFFFAOYSA-N 2 2 329.419 3.023 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207288203 1371351648 /nfs/dbraw/zinc/35/16/48/1371351648.db2.gz JIXFKIXRCRBXNO-VQTJNVASSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207288203 1371351651 /nfs/dbraw/zinc/35/16/51/1371351651.db2.gz JIXFKIXRCRBXNO-VQTJNVASSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288203 1371351653 /nfs/dbraw/zinc/35/16/53/1371351653.db2.gz JIXFKIXRCRBXNO-VQTJNVASSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207288203 1371351654 /nfs/dbraw/zinc/35/16/54/1371351654.db2.gz JIXFKIXRCRBXNO-VQTJNVASSA-N 3 2 329.532 3.028 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC001207355075 1371370967 /nfs/dbraw/zinc/37/09/67/1371370967.db2.gz PNTKCHLKYUEZAY-MRXNPFEDSA-N 2 2 348.535 3.089 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC001207355075 1371370970 /nfs/dbraw/zinc/37/09/70/1371370970.db2.gz PNTKCHLKYUEZAY-MRXNPFEDSA-N 2 2 348.535 3.089 20 0 EGADLP CC1(C)C[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356872 1371372110 /nfs/dbraw/zinc/37/21/10/1371372110.db2.gz KTXUDADVLXTMKW-ZACQAIPSSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)CCO1 ZINC001207356872 1371372114 /nfs/dbraw/zinc/37/21/14/1371372114.db2.gz KTXUDADVLXTMKW-ZACQAIPSSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)CCO1 ZINC001207356872 1371372120 /nfs/dbraw/zinc/37/21/20/1371372120.db2.gz KTXUDADVLXTMKW-ZACQAIPSSA-N 2 2 349.544 3.245 20 0 EGADLP CC1(C)C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CCO1 ZINC001207356872 1371372125 /nfs/dbraw/zinc/37/21/25/1371372125.db2.gz KTXUDADVLXTMKW-ZACQAIPSSA-N 2 2 349.544 3.245 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001207494688 1371413469 /nfs/dbraw/zinc/41/34/69/1371413469.db2.gz BPTAMIQYGNNDRW-OALUTQOASA-N 2 2 339.458 3.217 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207494659 1371413841 /nfs/dbraw/zinc/41/38/41/1371413841.db2.gz GXLRUPFYSGEMMB-LJQANCHMSA-N 2 2 334.479 3.334 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccccc2F)CC1 ZINC001207494659 1371413844 /nfs/dbraw/zinc/41/38/44/1371413844.db2.gz GXLRUPFYSGEMMB-LJQANCHMSA-N 2 2 334.479 3.334 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001207621750 1371455200 /nfs/dbraw/zinc/45/52/00/1371455200.db2.gz JCKKYRRRBIMFEC-ZSXHRAQDSA-N 2 2 349.950 3.275 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001207621750 1371455203 /nfs/dbraw/zinc/45/52/03/1371455203.db2.gz JCKKYRRRBIMFEC-ZSXHRAQDSA-N 2 2 349.950 3.275 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703066 1371478743 /nfs/dbraw/zinc/47/87/43/1371478743.db2.gz JONNSWGWFBECOT-RDTXWAMCSA-N 2 2 328.460 3.193 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703066 1371478744 /nfs/dbraw/zinc/47/87/44/1371478744.db2.gz JONNSWGWFBECOT-RDTXWAMCSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207958328 1371551313 /nfs/dbraw/zinc/55/13/13/1371551313.db2.gz FCYXYLMBRYMDHZ-SFHVURJKSA-N 2 2 347.503 3.291 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207958328 1371551316 /nfs/dbraw/zinc/55/13/16/1371551316.db2.gz FCYXYLMBRYMDHZ-SFHVURJKSA-N 2 2 347.503 3.291 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050558 1371581116 /nfs/dbraw/zinc/58/11/16/1371581116.db2.gz ZVQIREAUFGOHQM-SHCNBLLESA-N 2 2 340.471 3.193 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170353 1371616916 /nfs/dbraw/zinc/61/69/16/1371616916.db2.gz PZWCGMRAMXQXEH-WLRLJWMZSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170353 1371616919 /nfs/dbraw/zinc/61/69/19/1371616919.db2.gz PZWCGMRAMXQXEH-WLRLJWMZSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170353 1371616922 /nfs/dbraw/zinc/61/69/22/1371616922.db2.gz PZWCGMRAMXQXEH-WLRLJWMZSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170353 1371616925 /nfs/dbraw/zinc/61/69/25/1371616925.db2.gz PZWCGMRAMXQXEH-WLRLJWMZSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170350 1371617267 /nfs/dbraw/zinc/61/72/67/1371617267.db2.gz PZWCGMRAMXQXEH-PMXSJFBMSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170350 1371617275 /nfs/dbraw/zinc/61/72/75/1371617275.db2.gz PZWCGMRAMXQXEH-PMXSJFBMSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170350 1371617279 /nfs/dbraw/zinc/61/72/79/1371617279.db2.gz PZWCGMRAMXQXEH-PMXSJFBMSA-N 2 2 342.531 3.166 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001208170350 1371617283 /nfs/dbraw/zinc/61/72/83/1371617283.db2.gz PZWCGMRAMXQXEH-PMXSJFBMSA-N 2 2 342.531 3.166 20 0 EGADLP C[NH+](C)CC1(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)CCCC1 ZINC001208182395 1371624462 /nfs/dbraw/zinc/62/44/62/1371624462.db2.gz PDYOEYRLKOXWMC-UHFFFAOYSA-N 2 2 337.458 3.209 20 0 EGADLP C[NH+](C)CC1(C[NH+]2CCN(c3nccc4occc43)CC2)CCCC1 ZINC001208185641 1371627261 /nfs/dbraw/zinc/62/72/61/1371627261.db2.gz HBTFEHHKNVSUNQ-UHFFFAOYSA-N 2 2 342.487 3.072 20 0 EGADLP CCC[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614965 1371841713 /nfs/dbraw/zinc/84/17/13/1371841713.db2.gz FZXSZNYGRNLSLQ-QZTJIDSGSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614965 1371841716 /nfs/dbraw/zinc/84/17/16/1371841716.db2.gz FZXSZNYGRNLSLQ-QZTJIDSGSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614965 1371841720 /nfs/dbraw/zinc/84/17/20/1371841720.db2.gz FZXSZNYGRNLSLQ-QZTJIDSGSA-N 2 2 331.504 3.376 20 0 EGADLP CCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H](C)C(=O)Nc1ccccc1C ZINC001208614965 1371841723 /nfs/dbraw/zinc/84/17/23/1371841723.db2.gz FZXSZNYGRNLSLQ-QZTJIDSGSA-N 2 2 331.504 3.376 20 0 EGADLP Fc1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208764869 1371887947 /nfs/dbraw/zinc/88/79/47/1371887947.db2.gz DWVWHQMCIBKTDP-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208764869 1371887952 /nfs/dbraw/zinc/88/79/52/1371887952.db2.gz DWVWHQMCIBKTDP-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208764869 1371887955 /nfs/dbraw/zinc/88/79/55/1371887955.db2.gz DWVWHQMCIBKTDP-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208764869 1371887958 /nfs/dbraw/zinc/88/79/58/1371887958.db2.gz DWVWHQMCIBKTDP-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)cc1 ZINC001121232069 1371901832 /nfs/dbraw/zinc/90/18/32/1371901832.db2.gz UWBNIEIEARDDNW-UHFFFAOYSA-N 2 2 341.455 3.093 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CC3(C2)CC([NH2+]C/C=C/Cl)C3)c(C)[nH+]1 ZINC001121443266 1371976440 /nfs/dbraw/zinc/97/64/40/1371976440.db2.gz HXYNXPRDXJPOFW-SNAWJCMRSA-N 2 2 347.890 3.390 20 0 EGADLP c1ccc2c(c1)CC(C[N@H+]1C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C1)C2 ZINC001209321434 1372068368 /nfs/dbraw/zinc/06/83/68/1372068368.db2.gz SSPGSIDCNZAOEN-PKTZIBPZSA-N 2 2 347.506 3.250 20 0 EGADLP c1ccc2c(c1)CC(C[N@@H+]1C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C1)C2 ZINC001209321434 1372068377 /nfs/dbraw/zinc/06/83/77/1372068377.db2.gz SSPGSIDCNZAOEN-PKTZIBPZSA-N 2 2 347.506 3.250 20 0 EGADLP c1ccc2c(c1)CC(C[NH+]1C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C1)C2 ZINC001209321434 1372068381 /nfs/dbraw/zinc/06/83/81/1372068381.db2.gz SSPGSIDCNZAOEN-PKTZIBPZSA-N 2 2 347.506 3.250 20 0 EGADLP c1ccc2c(c1)CC(C[NH+]1C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C1)C2 ZINC001209321434 1372068393 /nfs/dbraw/zinc/06/83/93/1372068393.db2.gz SSPGSIDCNZAOEN-PKTZIBPZSA-N 2 2 347.506 3.250 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360203 1372077779 /nfs/dbraw/zinc/07/77/79/1372077779.db2.gz XRHJNQKSGLCERI-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360203 1372077785 /nfs/dbraw/zinc/07/77/85/1372077785.db2.gz XRHJNQKSGLCERI-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360203 1372077791 /nfs/dbraw/zinc/07/77/91/1372077791.db2.gz XRHJNQKSGLCERI-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001209360203 1372077794 /nfs/dbraw/zinc/07/77/94/1372077794.db2.gz XRHJNQKSGLCERI-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H](CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2)n1cc[nH+]c1 ZINC001121841878 1372099423 /nfs/dbraw/zinc/09/94/23/1372099423.db2.gz RIDHMTCRDQMVOS-YUCHZMFVSA-N 2 2 344.503 3.041 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)nc(C)[nH+]1 ZINC001209489561 1372118759 /nfs/dbraw/zinc/11/87/59/1372118759.db2.gz DXIUOYZJAKVEAK-UHFFFAOYSA-N 2 2 335.455 3.205 20 0 EGADLP Nc1cc[nH+]cc1C[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC001209732620 1372179752 /nfs/dbraw/zinc/17/97/52/1372179752.db2.gz AHMIPYQYLVTBMY-UHFFFAOYSA-N 2 2 346.434 3.137 20 0 EGADLP C[NH+]1CCC(n2cc(Nc3cccc(Cn4cc[nH+]c4)c3)cn2)CC1 ZINC001210757115 1372420830 /nfs/dbraw/zinc/42/08/30/1372420830.db2.gz XRXKVVUHROJCMW-UHFFFAOYSA-N 2 2 336.443 3.138 20 0 EGADLP CCn1c[nH+]cc1COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001123375997 1372446395 /nfs/dbraw/zinc/44/63/95/1372446395.db2.gz ATUFXFMELYPUOK-UHFFFAOYSA-N 2 2 327.428 3.246 20 0 EGADLP C[NH2+]Cc1ccc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1 ZINC001211129607 1372488570 /nfs/dbraw/zinc/48/85/70/1372488570.db2.gz UTFQILOFQVNANY-GASCZTMLSA-N 2 2 326.444 3.158 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3cccc(Cn4cc[nH+]c4)c3)c2)CC1 ZINC001212713808 1372759618 /nfs/dbraw/zinc/75/96/18/1372759618.db2.gz LCMDNVXGACIFHU-UHFFFAOYSA-N 2 2 347.466 3.427 20 0 EGADLP COc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1N1CC[NH+](C)CC1 ZINC001213034290 1372824347 /nfs/dbraw/zinc/82/43/47/1372824347.db2.gz BLENCDSZQDUXHS-UHFFFAOYSA-N 2 2 337.427 3.067 20 0 EGADLP Cc1[nH]c2ccc(Nc3cccc(CN4CC[NH+](C)CC4)c3)cc2[nH+]1 ZINC001213075082 1372834480 /nfs/dbraw/zinc/83/44/80/1372834480.db2.gz CCOCEEMCYWVHEU-UHFFFAOYSA-N 2 2 335.455 3.362 20 0 EGADLP Cc1[nH]c2ccc(Nc3cccc(C[NH+]4CCN(C)CC4)c3)cc2[nH+]1 ZINC001213075082 1372834482 /nfs/dbraw/zinc/83/44/82/1372834482.db2.gz CCOCEEMCYWVHEU-UHFFFAOYSA-N 2 2 335.455 3.362 20 0 EGADLP c1cn(Cc2ccc(Nc3ccc(N4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC001213265461 1372870908 /nfs/dbraw/zinc/87/09/08/1372870908.db2.gz ZABVRJCHZSHWJO-UHFFFAOYSA-N 2 2 333.439 3.085 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]Cc3ccccc3C3CC3)ccn12 ZINC001127293271 1373113265 /nfs/dbraw/zinc/11/32/65/1373113265.db2.gz RZKFGGIVADGAHE-UHFFFAOYSA-N 2 2 348.450 3.040 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190233 1373184766 /nfs/dbraw/zinc/18/47/66/1373184766.db2.gz RGFJPJWCMDOWQU-BJTXQSCBSA-N 2 2 329.488 3.413 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001216988627 1373376229 /nfs/dbraw/zinc/37/62/29/1373376229.db2.gz VGCOITMDZPBIOD-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1ccc([C@@H]2C[C@@H]2c2nnc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217704505 1373491512 /nfs/dbraw/zinc/49/15/12/1373491512.db2.gz GOUXAVCXAJQPEQ-ULQDDVLXSA-N 2 2 338.455 3.196 20 0 EGADLP CC(C)Oc1ccc(-c2nnc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217706516 1373491702 /nfs/dbraw/zinc/49/17/02/1373491702.db2.gz UZJHRMCNHOLPPB-INIZCTEOSA-N 2 2 342.443 3.071 20 0 EGADLP [NH3+][C@H](CC(=O)Nc1cc[nH+]c2c1CCC2)Cc1ccc2ccccc2c1 ZINC001218619893 1373637275 /nfs/dbraw/zinc/63/72/75/1373637275.db2.gz GWZMVJWHQHYSGW-SFHVURJKSA-N 2 2 345.446 3.044 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCc2ccccc2Cl)c(C)[nH+]1 ZINC001131562728 1373721138 /nfs/dbraw/zinc/72/11/38/1373721138.db2.gz HQWQLEXNWLIFOK-UHFFFAOYSA-N 2 2 345.874 3.222 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001222092171 1373816497 /nfs/dbraw/zinc/81/64/97/1373816497.db2.gz KQFJHOCOXUXQHG-IEBWSBKVSA-N 2 2 340.471 3.005 20 0 EGADLP O=C(NCC[NH2+]CCCC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976759 1375079340 /nfs/dbraw/zinc/07/93/40/1375079340.db2.gz QTSDNHSCGPCICK-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1ccc(C)c(C[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001131977260 1375079881 /nfs/dbraw/zinc/07/98/81/1375079881.db2.gz ZMBBQIYWAFHNCY-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1=CCCCC1 ZINC001132024890 1375104530 /nfs/dbraw/zinc/10/45/30/1375104530.db2.gz JPAFASGLPWKJRK-SJLPKXTDSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1=CCCCC1 ZINC001132024890 1375104534 /nfs/dbraw/zinc/10/45/34/1375104534.db2.gz JPAFASGLPWKJRK-SJLPKXTDSA-N 2 2 344.503 3.202 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001226686195 1375309101 /nfs/dbraw/zinc/30/91/01/1375309101.db2.gz ABZLGWQHPSVBQI-RTBURBONSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC001226686195 1375309104 /nfs/dbraw/zinc/30/91/04/1375309104.db2.gz ABZLGWQHPSVBQI-RTBURBONSA-N 2 2 346.519 3.330 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132545664 1375452515 /nfs/dbraw/zinc/45/25/15/1375452515.db2.gz DGXBEFQWUXGYJG-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132545664 1375452517 /nfs/dbraw/zinc/45/25/17/1375452517.db2.gz DGXBEFQWUXGYJG-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP CCCCCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546548 1375453349 /nfs/dbraw/zinc/45/33/49/1375453349.db2.gz NTHQOZYBBXLPNE-ZWKOTPCHSA-N 2 2 334.508 3.213 20 0 EGADLP CCCCCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546548 1375453354 /nfs/dbraw/zinc/45/33/54/1375453354.db2.gz NTHQOZYBBXLPNE-ZWKOTPCHSA-N 2 2 334.508 3.213 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOC(C)C)c(C)[nH+]1 ZINC001227636759 1375457253 /nfs/dbraw/zinc/45/72/53/1375457253.db2.gz ICIZMHJHZMZNMK-QZTJIDSGSA-N 2 2 347.503 3.062 20 0 EGADLP CC[C@@H](C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001227636671 1375457841 /nfs/dbraw/zinc/45/78/41/1375457841.db2.gz FHEGFJFMMXBOSR-RCCFBDPRSA-N 2 2 347.503 3.062 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228835598 1375690012 /nfs/dbraw/zinc/69/00/12/1375690012.db2.gz GZZKJSDNFZBNJS-RCCFBDPRSA-N 2 2 334.508 3.432 20 0 EGADLP Cc1ccc(N2CCC[C@H](Oc3ccc4c(c3)CC[N@@H+](C)C4)C2)[nH+]c1 ZINC001228943272 1375722820 /nfs/dbraw/zinc/72/28/20/1375722820.db2.gz DUAUIBVANZIITA-FQEVSTJZSA-N 2 2 337.467 3.426 20 0 EGADLP Cc1ccc(N2CCC[C@H](Oc3ccc4c(c3)CC[N@H+](C)C4)C2)[nH+]c1 ZINC001228943272 1375722834 /nfs/dbraw/zinc/72/28/34/1375722834.db2.gz DUAUIBVANZIITA-FQEVSTJZSA-N 2 2 337.467 3.426 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001229558648 1375854060 /nfs/dbraw/zinc/85/40/60/1375854060.db2.gz AWXREILVDSRESL-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001229558648 1375854065 /nfs/dbraw/zinc/85/40/65/1375854065.db2.gz AWXREILVDSRESL-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133363947 1375945266 /nfs/dbraw/zinc/94/52/66/1375945266.db2.gz QIPXMCSFHCHQNZ-PKOBYXMFSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610797 1376100404 /nfs/dbraw/zinc/10/04/04/1376100404.db2.gz HOAMDIWZZZIGRW-OAJJDEHYSA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610797 1376100408 /nfs/dbraw/zinc/10/04/08/1376100408.db2.gz HOAMDIWZZZIGRW-OAJJDEHYSA-N 2 2 344.503 3.012 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231730199 1376305473 /nfs/dbraw/zinc/30/54/73/1376305473.db2.gz GOKJKEXEOMWLHL-UHFFFAOYSA-N 2 2 331.847 3.488 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872967 1376333629 /nfs/dbraw/zinc/33/36/29/1376333629.db2.gz VHHQAYHXVSCZKT-FQEVSTJZSA-N 2 2 329.488 3.321 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872967 1376333640 /nfs/dbraw/zinc/33/36/40/1376333640.db2.gz VHHQAYHXVSCZKT-FQEVSTJZSA-N 2 2 329.488 3.321 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872967 1376333647 /nfs/dbraw/zinc/33/36/47/1376333647.db2.gz VHHQAYHXVSCZKT-FQEVSTJZSA-N 2 2 329.488 3.321 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OC4CCCCC4)nc3)C2)C1 ZINC001231872967 1376333655 /nfs/dbraw/zinc/33/36/55/1376333655.db2.gz VHHQAYHXVSCZKT-FQEVSTJZSA-N 2 2 329.488 3.321 20 0 EGADLP FC(F)(F)c1cnc(Cl)cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001231935185 1376356427 /nfs/dbraw/zinc/35/64/27/1376356427.db2.gz TUQNZDLEBJIYGA-UHFFFAOYSA-N 2 2 330.741 3.009 20 0 EGADLP FC(F)(F)c1cnc(Cl)cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001231935185 1376356439 /nfs/dbraw/zinc/35/64/39/1376356439.db2.gz TUQNZDLEBJIYGA-UHFFFAOYSA-N 2 2 330.741 3.009 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(C)n1 ZINC001232081382 1376396024 /nfs/dbraw/zinc/39/60/24/1376396024.db2.gz WENJUTVRFJLXBQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(C)n1 ZINC001232081382 1376396026 /nfs/dbraw/zinc/39/60/26/1376396026.db2.gz WENJUTVRFJLXBQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(C)n1 ZINC001232081382 1376396031 /nfs/dbraw/zinc/39/60/31/1376396031.db2.gz WENJUTVRFJLXBQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(C)n1 ZINC001232081382 1376396035 /nfs/dbraw/zinc/39/60/35/1376396035.db2.gz WENJUTVRFJLXBQ-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)s1 ZINC001134228390 1376425018 /nfs/dbraw/zinc/42/50/18/1376425018.db2.gz ODNOVRMJCPJAJJ-OLZOCXBDSA-N 2 2 348.516 3.094 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(Br)cc2C)CC1 ZINC001232320122 1376439571 /nfs/dbraw/zinc/43/95/71/1376439571.db2.gz RORKBABJXUAJDA-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(Br)cc2C)CC1 ZINC001232320122 1376439576 /nfs/dbraw/zinc/43/95/76/1376439576.db2.gz RORKBABJXUAJDA-UHFFFAOYSA-N 2 2 326.282 3.069 20 0 EGADLP Cc1cc(Br)ncc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001232319475 1376439609 /nfs/dbraw/zinc/43/96/09/1376439609.db2.gz IDZWWQDXZMKVOC-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP Cc1cc(Br)ncc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001232319475 1376439616 /nfs/dbraw/zinc/43/96/16/1376439616.db2.gz IDZWWQDXZMKVOC-UHFFFAOYSA-N 2 2 326.282 3.070 20 0 EGADLP Cc1nc(Br)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232327757 1376441039 /nfs/dbraw/zinc/44/10/39/1376441039.db2.gz YTXHKIPOVZCOKV-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1nc(Br)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001232327757 1376441045 /nfs/dbraw/zinc/44/10/45/1376441045.db2.gz YTXHKIPOVZCOKV-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(OC)cc1C ZINC001232834221 1376521055 /nfs/dbraw/zinc/52/10/55/1376521055.db2.gz HJPMIGCQRVKISF-KRWDZBQOSA-N 2 2 342.439 3.369 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(OC)cc1C ZINC001232834221 1376521057 /nfs/dbraw/zinc/52/10/57/1376521057.db2.gz HJPMIGCQRVKISF-KRWDZBQOSA-N 2 2 342.439 3.369 20 0 EGADLP CC(C)[N@H+](Cc1cc(O)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001232999355 1376552978 /nfs/dbraw/zinc/55/29/78/1376552978.db2.gz DFFZRCZRRPGGIH-UHFFFAOYSA-N 2 2 341.293 3.459 20 0 EGADLP CC(C)[N@@H+](Cc1cc(O)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001232999355 1376552980 /nfs/dbraw/zinc/55/29/80/1376552980.db2.gz DFFZRCZRRPGGIH-UHFFFAOYSA-N 2 2 341.293 3.459 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cc(O)cc(Br)c2)CC1 ZINC001232998180 1376553090 /nfs/dbraw/zinc/55/30/90/1376553090.db2.gz JUNOKLZQURDBGL-UHFFFAOYSA-N 2 2 327.266 3.071 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(O)cc(Br)c2)CC1 ZINC001232998180 1376553096 /nfs/dbraw/zinc/55/30/96/1376553096.db2.gz JUNOKLZQURDBGL-UHFFFAOYSA-N 2 2 327.266 3.071 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545575 1376584281 /nfs/dbraw/zinc/58/42/81/1376584281.db2.gz PTTHAMBJBNVWPB-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545575 1376584286 /nfs/dbraw/zinc/58/42/86/1376584286.db2.gz PTTHAMBJBNVWPB-KBPBESRZSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545955 1376585106 /nfs/dbraw/zinc/58/51/06/1376585106.db2.gz ULTUYBRQEGQDEV-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545955 1376585111 /nfs/dbraw/zinc/58/51/11/1376585111.db2.gz ULTUYBRQEGQDEV-JKSUJKDBSA-N 2 2 334.508 3.186 20 0 EGADLP CCOC(=O)c1ccnc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001233326643 1376616809 /nfs/dbraw/zinc/61/68/09/1376616809.db2.gz MJVHNZSWMJNETN-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccnc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001233326643 1376616813 /nfs/dbraw/zinc/61/68/13/1376616813.db2.gz MJVHNZSWMJNETN-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001233326643 1376616815 /nfs/dbraw/zinc/61/68/15/1376616815.db2.gz MJVHNZSWMJNETN-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccnc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001233326643 1376616818 /nfs/dbraw/zinc/61/68/18/1376616818.db2.gz MJVHNZSWMJNETN-RBUKOAKNSA-N 2 2 345.487 3.097 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134737029 1376687951 /nfs/dbraw/zinc/68/79/51/1376687951.db2.gz MTEKCZZWDWAAOL-HUUCEWRRSA-N 2 2 336.439 3.250 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739923 1376690284 /nfs/dbraw/zinc/69/02/84/1376690284.db2.gz LUBBYFRNROSXHM-KBPBESRZSA-N 2 2 330.476 3.486 20 0 EGADLP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313799 1376803252 /nfs/dbraw/zinc/80/32/52/1376803252.db2.gz LASRIKOIIXPZGP-OOFWQKGWSA-N 2 2 340.471 3.145 20 0 EGADLP CC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001234313799 1376803266 /nfs/dbraw/zinc/80/32/66/1376803266.db2.gz LASRIKOIIXPZGP-OOFWQKGWSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H]3CC[N@H+]3CCCC(C)C)ccn12 ZINC001234314517 1376805633 /nfs/dbraw/zinc/80/56/33/1376805633.db2.gz WSKKUNWJGVFGSW-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H]3CC[N@@H+]3CCCC(C)C)ccn12 ZINC001234314517 1376805643 /nfs/dbraw/zinc/80/56/43/1376805643.db2.gz WSKKUNWJGVFGSW-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963832 1376813842 /nfs/dbraw/zinc/81/38/42/1376813842.db2.gz AZMFLMCKYUQJRQ-HUUCEWRRSA-N 2 2 328.460 3.011 20 0 EGADLP FC(F)C(F)(F)Oc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC001235110704 1376845481 /nfs/dbraw/zinc/84/54/81/1376845481.db2.gz LYOCJGIACRLMOX-UHFFFAOYSA-N 2 2 332.341 3.251 20 0 EGADLP FC(F)(F)c1cccc(CCC[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c1 ZINC001235115883 1376848211 /nfs/dbraw/zinc/84/82/11/1376848211.db2.gz SHJNXUDOOWADED-KRWDZBQOSA-N 2 2 342.405 3.092 20 0 EGADLP FC(F)(F)c1cccc(CCC[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c1 ZINC001235115883 1376848218 /nfs/dbraw/zinc/84/82/18/1376848218.db2.gz SHJNXUDOOWADED-KRWDZBQOSA-N 2 2 342.405 3.092 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccccn2)c(C)[nH+]1 ZINC001135039209 1376862645 /nfs/dbraw/zinc/86/26/45/1376862645.db2.gz VDGQJLYHDLHKDD-HOCLYGCPSA-N 2 2 340.471 3.089 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135055136 1376870242 /nfs/dbraw/zinc/87/02/42/1376870242.db2.gz DAXASMOIFNHBKA-IRXDYDNUSA-N 2 2 346.519 3.116 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653664 1376957915 /nfs/dbraw/zinc/95/79/15/1376957915.db2.gz LLSVHTSHUMQSJM-HXUWFJFHSA-N 3 2 333.495 3.384 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1 ZINC001236653664 1376957927 /nfs/dbraw/zinc/95/79/27/1376957927.db2.gz LLSVHTSHUMQSJM-HXUWFJFHSA-N 3 2 333.495 3.384 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001240026170 1377011621 /nfs/dbraw/zinc/01/16/21/1377011621.db2.gz UZRCCNMLTGDUNL-HXUWFJFHSA-N 2 2 337.467 3.025 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001240026170 1377011624 /nfs/dbraw/zinc/01/16/24/1377011624.db2.gz UZRCCNMLTGDUNL-HXUWFJFHSA-N 2 2 337.467 3.025 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817610 1377070670 /nfs/dbraw/zinc/07/06/70/1377070670.db2.gz CVANAGZZELWFBQ-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817610 1377070672 /nfs/dbraw/zinc/07/06/72/1377070672.db2.gz CVANAGZZELWFBQ-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CCCC(C)(C)C ZINC001136057490 1377317148 /nfs/dbraw/zinc/31/71/48/1377317148.db2.gz YPXWKDVXCMPMRB-CVEARBPZSA-N 2 2 336.524 3.052 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023254 1377460036 /nfs/dbraw/zinc/46/00/36/1377460036.db2.gz ICRPCMLSVDTTHS-OAQYLSRUSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023254 1377460038 /nfs/dbraw/zinc/46/00/38/1377460038.db2.gz ICRPCMLSVDTTHS-OAQYLSRUSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023254 1377460041 /nfs/dbraw/zinc/46/00/41/1377460041.db2.gz ICRPCMLSVDTTHS-OAQYLSRUSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001137023254 1377460042 /nfs/dbraw/zinc/46/00/42/1377460042.db2.gz ICRPCMLSVDTTHS-OAQYLSRUSA-N 2 2 344.499 3.040 20 0 EGADLP CCOc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001138097432 1377676476 /nfs/dbraw/zinc/67/64/76/1377676476.db2.gz UMZZWQDQSKXNJV-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001138097432 1377676477 /nfs/dbraw/zinc/67/64/77/1377676477.db2.gz UMZZWQDQSKXNJV-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001138097432 1377676478 /nfs/dbraw/zinc/67/64/78/1377676478.db2.gz UMZZWQDQSKXNJV-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001138097432 1377676479 /nfs/dbraw/zinc/67/64/79/1377676479.db2.gz UMZZWQDQSKXNJV-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@H]3C2)c1 ZINC001139171566 1377843441 /nfs/dbraw/zinc/84/34/41/1377843441.db2.gz WQOWLCPSVBVIAL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@H]3C2)c1 ZINC001139171566 1377843442 /nfs/dbraw/zinc/84/34/42/1377843442.db2.gz WQOWLCPSVBVIAL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5cccnc5c4)C[C@H]3C2)c1 ZINC001139171566 1377843444 /nfs/dbraw/zinc/84/34/44/1377843444.db2.gz WQOWLCPSVBVIAL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5cccnc5c4)C[C@H]3C2)c1 ZINC001139171566 1377843446 /nfs/dbraw/zinc/84/34/46/1377843446.db2.gz WQOWLCPSVBVIAL-OYRHEFFESA-N 2 2 344.462 3.194 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)ccc21 ZINC001139187598 1377846275 /nfs/dbraw/zinc/84/62/75/1377846275.db2.gz MHEDLTADXICJCR-NHCUHLMSSA-N 2 2 346.478 3.137 20 0 EGADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(F)c1 ZINC001139323863 1377867526 /nfs/dbraw/zinc/86/75/26/1377867526.db2.gz UTJMEOAETDKZSF-UHFFFAOYSA-N 2 2 348.491 3.056 20 0 EGADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1cccc(F)c1 ZINC001139323863 1377867527 /nfs/dbraw/zinc/86/75/27/1377867527.db2.gz UTJMEOAETDKZSF-UHFFFAOYSA-N 2 2 348.491 3.056 20 0 EGADLP Cc1cc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC001139364224 1377874550 /nfs/dbraw/zinc/87/45/50/1377874550.db2.gz PMSIANHKYJCYAC-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)ncn1 ZINC001139364224 1377874551 /nfs/dbraw/zinc/87/45/51/1377874551.db2.gz PMSIANHKYJCYAC-IBGZPJMESA-N 2 2 349.438 3.014 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473893 1377890488 /nfs/dbraw/zinc/89/04/88/1377890488.db2.gz WTJOHXQNFYHYJF-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473893 1377890489 /nfs/dbraw/zinc/89/04/89/1377890489.db2.gz WTJOHXQNFYHYJF-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473893 1377890490 /nfs/dbraw/zinc/89/04/90/1377890490.db2.gz WTJOHXQNFYHYJF-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4ccc(Br)cc4[nH]3)C2)C1 ZINC001139473893 1377890491 /nfs/dbraw/zinc/89/04/91/1377890491.db2.gz WTJOHXQNFYHYJF-KRWDZBQOSA-N 2 2 348.288 3.458 20 0 EGADLP C[C@H]1CCCCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139766500 1377948260 /nfs/dbraw/zinc/94/82/60/1377948260.db2.gz IUCTYGOAWDPPGN-SFHVURJKSA-N 2 2 332.488 3.162 20 0 EGADLP C[C@H]1CCCCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139766500 1377948261 /nfs/dbraw/zinc/94/82/61/1377948261.db2.gz IUCTYGOAWDPPGN-SFHVURJKSA-N 2 2 332.488 3.162 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001140026335 1377991721 /nfs/dbraw/zinc/99/17/21/1377991721.db2.gz KOTDTHILSSBXFH-KRWDZBQOSA-N 2 2 333.382 3.181 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001140026335 1377991722 /nfs/dbraw/zinc/99/17/22/1377991722.db2.gz KOTDTHILSSBXFH-KRWDZBQOSA-N 2 2 333.382 3.181 20 0 EGADLP COc1c(Cl)cccc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001140063039 1377999585 /nfs/dbraw/zinc/99/95/85/1377999585.db2.gz LVTWAJRIECDORI-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC001140804977 1378144097 /nfs/dbraw/zinc/14/40/97/1378144097.db2.gz MNVLQRBTEKYJHA-UHFFFAOYSA-N 2 2 343.434 3.433 20 0 EGADLP CC(C)[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC001141155697 1378252878 /nfs/dbraw/zinc/25/28/78/1378252878.db2.gz FZCFIRVDZMGIKP-UHFFFAOYSA-N 2 2 326.387 3.313 20 0 EGADLP CC(C)[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](C)CC1 ZINC001141155697 1378252881 /nfs/dbraw/zinc/25/28/81/1378252881.db2.gz FZCFIRVDZMGIKP-UHFFFAOYSA-N 2 2 326.387 3.313 20 0 EGADLP COC(=O)CC[N@H+](Cc1ccco1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242502 1378281585 /nfs/dbraw/zinc/28/15/85/1378281585.db2.gz XXNAZLWEBIXILW-UHFFFAOYSA-N 2 2 339.395 3.031 20 0 EGADLP COC(=O)CC[N@@H+](Cc1ccco1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242502 1378281590 /nfs/dbraw/zinc/28/15/90/1378281590.db2.gz XXNAZLWEBIXILW-UHFFFAOYSA-N 2 2 339.395 3.031 20 0 EGADLP F[C@H]1CN(Cc2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1[NH+]1CCCCC1 ZINC001141246009 1378282752 /nfs/dbraw/zinc/28/27/52/1378282752.db2.gz UVYGODRKGHQYRZ-PMACEKPBSA-N 2 2 342.462 3.271 20 0 EGADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141417664 1378321128 /nfs/dbraw/zinc/32/11/28/1378321128.db2.gz CMACERXNBYSLJS-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141417664 1378321134 /nfs/dbraw/zinc/32/11/34/1378321134.db2.gz CMACERXNBYSLJS-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465022 1378328836 /nfs/dbraw/zinc/32/88/36/1378328836.db2.gz UPGYZEXVTBCRBK-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465022 1378328841 /nfs/dbraw/zinc/32/88/41/1378328841.db2.gz UPGYZEXVTBCRBK-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465022 1378328843 /nfs/dbraw/zinc/32/88/43/1378328843.db2.gz UPGYZEXVTBCRBK-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnc(C(F)(F)F)nc1 ZINC001141465022 1378328850 /nfs/dbraw/zinc/32/88/50/1378328850.db2.gz UPGYZEXVTBCRBK-GJZGRUSLSA-N 2 2 342.409 3.334 20 0 EGADLP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001142209834 1378420494 /nfs/dbraw/zinc/42/04/94/1378420494.db2.gz WCABZVNCNQWLMH-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405094 1378439945 /nfs/dbraw/zinc/43/99/45/1378439945.db2.gz LZJZRXZKLOTXJJ-YVEFUNNKSA-N 2 2 348.288 3.456 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405094 1378439951 /nfs/dbraw/zinc/43/99/51/1378439951.db2.gz LZJZRXZKLOTXJJ-YVEFUNNKSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405094 1378439955 /nfs/dbraw/zinc/43/99/55/1378439955.db2.gz LZJZRXZKLOTXJJ-YVEFUNNKSA-N 2 2 348.288 3.456 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cc(Br)ccc34)C[C@H]21 ZINC001142405094 1378439957 /nfs/dbraw/zinc/43/99/57/1378439957.db2.gz LZJZRXZKLOTXJJ-YVEFUNNKSA-N 2 2 348.288 3.456 20 0 EGADLP Cn1cc2c(cccc2C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001142473173 1378446294 /nfs/dbraw/zinc/44/62/94/1378446294.db2.gz FWAJBWKZSHXXHM-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1cc2c(cccc2C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001142473173 1378446296 /nfs/dbraw/zinc/44/62/96/1378446296.db2.gz FWAJBWKZSHXXHM-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP c1cn2cc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)ccc2[nH+]1 ZINC001143026787 1378529108 /nfs/dbraw/zinc/52/91/08/1378529108.db2.gz FCRHRWZSWMGYSB-UHFFFAOYSA-N 3 2 346.478 3.432 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CC1CCCCC1 ZINC001284148338 1379542549 /nfs/dbraw/zinc/54/25/49/1379542549.db2.gz JFNGIWWOVPAADU-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1CCCCC1 ZINC001284148338 1379542554 /nfs/dbraw/zinc/54/25/54/1379542554.db2.gz JFNGIWWOVPAADU-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP COCC1CCC([NH2+]c2ccc(N3CC[NH+](C)CC3)c(C)c2)CC1 ZINC001327941788 1388628824 /nfs/dbraw/zinc/62/88/24/1388628824.db2.gz YRPUBNOEYBMNIO-UHFFFAOYSA-N 2 2 331.504 3.364 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066409 1380196791 /nfs/dbraw/zinc/19/67/91/1380196791.db2.gz RJDMKQGGHLMZKM-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066409 1380196793 /nfs/dbraw/zinc/19/67/93/1380196793.db2.gz RJDMKQGGHLMZKM-SJORKVTESA-N 2 2 348.535 3.098 20 0 EGADLP Fc1ccc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)nc1Cl ZINC001155054462 1380399403 /nfs/dbraw/zinc/39/94/03/1380399403.db2.gz YOOKJUXUPJMCCH-UHFFFAOYSA-N 2 2 330.741 3.135 20 0 EGADLP Clc1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC001155064027 1380401637 /nfs/dbraw/zinc/40/16/37/1380401637.db2.gz LQVAZZSWLXZKTI-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP CCCN(CCC)c1cc(N[C@H]2C[NH2+]Cc3ccsc32)nc[nH+]1 ZINC001155561034 1380469108 /nfs/dbraw/zinc/46/91/08/1380469108.db2.gz KPZSLBRRDJFXTG-AWEZNQCLSA-N 2 2 331.489 3.421 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248368 1380824309 /nfs/dbraw/zinc/82/43/09/1380824309.db2.gz NEUCYCAJKVJKGH-GOSISDBHSA-N 2 2 346.519 3.380 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248368 1380824315 /nfs/dbraw/zinc/82/43/15/1380824315.db2.gz NEUCYCAJKVJKGH-GOSISDBHSA-N 2 2 346.519 3.380 20 0 EGADLP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293984 1380835038 /nfs/dbraw/zinc/83/50/38/1380835038.db2.gz PWUCBEIRRPCFFE-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293984 1380835043 /nfs/dbraw/zinc/83/50/43/1380835043.db2.gz PWUCBEIRRPCFFE-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001157438946 1380895497 /nfs/dbraw/zinc/89/54/97/1380895497.db2.gz QKLIZPDKYKZZEL-OWCLPIDISA-N 2 2 330.476 3.272 20 0 EGADLP C[C@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001157438946 1380895510 /nfs/dbraw/zinc/89/55/10/1380895510.db2.gz QKLIZPDKYKZZEL-OWCLPIDISA-N 2 2 330.476 3.272 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050741 1381113861 /nfs/dbraw/zinc/11/38/61/1381113861.db2.gz UDSTXYZGIRDEHX-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050741 1381113865 /nfs/dbraw/zinc/11/38/65/1381113865.db2.gz UDSTXYZGIRDEHX-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050741 1381113869 /nfs/dbraw/zinc/11/38/69/1381113869.db2.gz UDSTXYZGIRDEHX-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050741 1381113871 /nfs/dbraw/zinc/11/38/71/1381113871.db2.gz UDSTXYZGIRDEHX-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158794321 1381402833 /nfs/dbraw/zinc/40/28/33/1381402833.db2.gz OAUVIZZZPKSHBH-MRXNPFEDSA-N 2 2 334.508 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158794321 1381402830 /nfs/dbraw/zinc/40/28/30/1381402830.db2.gz OAUVIZZZPKSHBH-MRXNPFEDSA-N 2 2 334.508 3.010 20 0 EGADLP Brc1c[nH+]c2ccc(Nc3cccc4c3CC[NH2+]C4)cn12 ZINC001159228226 1381736754 /nfs/dbraw/zinc/73/67/54/1381736754.db2.gz WLIQWQYSLGRRAV-UHFFFAOYSA-N 2 2 343.228 3.486 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001328423678 1388742669 /nfs/dbraw/zinc/74/26/69/1388742669.db2.gz WHCBWCBRYANHSO-UHFFFAOYSA-N 2 2 344.484 3.169 20 0 EGADLP CCOc1ccc(C)c(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)c1 ZINC001159262782 1381746702 /nfs/dbraw/zinc/74/67/02/1381746702.db2.gz ZLKRFCGXPLIWFF-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP COc1nc(C(C)C)ccc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159262260 1381747066 /nfs/dbraw/zinc/74/70/66/1381747066.db2.gz UPJXUGLVAHOODI-UHFFFAOYSA-N 2 2 341.459 3.280 20 0 EGADLP CCOc1ccc(C)c(Nc2ccc(N3CCC([NH3+])CC3)[nH+]c2)c1 ZINC001159322956 1381761726 /nfs/dbraw/zinc/76/17/26/1381761726.db2.gz CURAVFOUECUCGE-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP c1c[nH+]c(Nc2ccc(N3CC[NH2+]CC3)cc2)c(N2CCCCC2)c1 ZINC001159363974 1381777563 /nfs/dbraw/zinc/77/75/63/1381777563.db2.gz GROZKKRBFCOOMY-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP Cc1cc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)ccc1[NH+](C)C ZINC001159537642 1381820544 /nfs/dbraw/zinc/82/05/44/1381820544.db2.gz KRCISLXCDWKUQS-UHFFFAOYSA-N 2 2 328.435 3.353 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001159539886 1381823002 /nfs/dbraw/zinc/82/30/02/1381823002.db2.gz FIAPICTZMKJVHV-UHFFFAOYSA-N 2 2 348.535 3.291 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001159539886 1381823007 /nfs/dbraw/zinc/82/30/07/1381823007.db2.gz FIAPICTZMKJVHV-UHFFFAOYSA-N 2 2 348.535 3.291 20 0 EGADLP CCCCN(Cc1ccccc1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160427595 1382100620 /nfs/dbraw/zinc/10/06/20/1382100620.db2.gz ATMUTLUZBZGTBC-LJQANCHMSA-N 2 2 325.456 3.088 20 0 EGADLP CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160729528 1382180746 /nfs/dbraw/zinc/18/07/46/1382180746.db2.gz KDXDXNBGDZBLMZ-QWFCFKBJSA-N 2 2 347.503 3.049 20 0 EGADLP CC1(C)CCC(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001160990328 1382263739 /nfs/dbraw/zinc/26/37/39/1382263739.db2.gz IRKBFJVGRSPCCP-UHFFFAOYSA-N 2 2 342.487 3.489 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160991100 1382264491 /nfs/dbraw/zinc/26/44/91/1382264491.db2.gz MPOKLKJUFUWZIO-OAHLLOKOSA-N 2 2 336.439 3.342 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184423 1382330585 /nfs/dbraw/zinc/33/05/85/1382330585.db2.gz GZPLXMPIPFIRNH-WBVHZDCISA-N 2 2 344.503 3.014 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184423 1382330588 /nfs/dbraw/zinc/33/05/88/1382330588.db2.gz GZPLXMPIPFIRNH-WBVHZDCISA-N 2 2 344.503 3.014 20 0 EGADLP COc1c[nH+]c(NC2CC[NH+](CC(C)(C)C)CC2)nc1NC(C)C ZINC001161205931 1382340422 /nfs/dbraw/zinc/34/04/22/1382340422.db2.gz HYSROKMIOGBTKP-UHFFFAOYSA-N 2 2 335.496 3.228 20 0 EGADLP Cc1c[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)nc1N1CCCC1 ZINC001161228883 1382348768 /nfs/dbraw/zinc/34/87/68/1382348768.db2.gz BTTNFWMJWNGEIS-UHFFFAOYSA-N 2 2 343.519 3.309 20 0 EGADLP c1[nH+]cn(CC2CCC2)c1CNc1ccc(C[NH+]2CCCC2)cn1 ZINC001161533374 1382433230 /nfs/dbraw/zinc/43/32/30/1382433230.db2.gz OXUCTHXWUPVGRH-UHFFFAOYSA-N 2 2 325.460 3.286 20 0 EGADLP c1[nH+]cn(CC2CCC2)c1CNc1ncccc1C[NH+]1CCCC1 ZINC001161535968 1382433960 /nfs/dbraw/zinc/43/39/60/1382433960.db2.gz QLLDRXNSZLKPKK-UHFFFAOYSA-N 2 2 325.460 3.286 20 0 EGADLP Fc1ccc(CC2(CNc3ccc(N4CC[NH2+]CC4)c[nH+]3)CC2)cc1 ZINC001161622473 1382462232 /nfs/dbraw/zinc/46/22/32/1382462232.db2.gz IRZIJCAHHZYVLI-UHFFFAOYSA-N 2 2 340.446 3.065 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427909 1382756266 /nfs/dbraw/zinc/75/62/66/1382756266.db2.gz RQUSISYPAXJMID-INIZCTEOSA-N 2 2 336.439 3.113 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001162432679 1382757375 /nfs/dbraw/zinc/75/73/75/1382757375.db2.gz GPQDHCUYSJEBRI-DLBZAZTESA-N 2 2 342.487 3.260 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C[C@@H]2CCC(F)(F)C2)c(C)[nH+]1 ZINC001162910302 1382912846 /nfs/dbraw/zinc/91/28/46/1382912846.db2.gz KBFVUFQHOGEQGK-OAHLLOKOSA-N 2 2 339.430 3.152 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC001162910746 1382912872 /nfs/dbraw/zinc/91/28/72/1382912872.db2.gz WASYEDHTQCONHW-FGTMMUONSA-N 2 2 329.488 3.153 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2cccc(F)c2)c(C)[nH+]1 ZINC001162909977 1382912882 /nfs/dbraw/zinc/91/28/82/1382912882.db2.gz FKOGKIZHLZTCIQ-UHFFFAOYSA-N 2 2 329.419 3.056 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc(F)cc2F)c(C)[nH+]1 ZINC001162910524 1382913434 /nfs/dbraw/zinc/91/34/34/1382913434.db2.gz PGVSGLAMLDXKHF-UHFFFAOYSA-N 2 2 347.409 3.195 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC001162910747 1382913498 /nfs/dbraw/zinc/91/34/98/1382913498.db2.gz WASYEDHTQCONHW-KURKYZTESA-N 2 2 329.488 3.153 20 0 EGADLP Cc1cccc2c(C)cc(N3CCC(C4=CC=C(N)C[NH2+]4)CC3)[nH+]c12 ZINC001163129148 1382972066 /nfs/dbraw/zinc/97/20/66/1382972066.db2.gz HRWIONQJMCLODX-UHFFFAOYSA-N 2 2 334.467 3.398 20 0 EGADLP c1[nH+]c2cc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc2n1-c1ccccc1 ZINC001163170350 1382982745 /nfs/dbraw/zinc/98/27/45/1382982745.db2.gz DLUKLWNYGANPIP-FPDPHYFHSA-N 2 2 348.450 3.062 20 0 EGADLP COc1ccc2c(cc[nH+]c2N2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC001163660173 1383097728 /nfs/dbraw/zinc/09/77/28/1383097728.db2.gz OTTNYGIAHZVFFP-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP CC(C)Oc1ccc[nH+]c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163916683 1383135204 /nfs/dbraw/zinc/13/52/04/1383135204.db2.gz IDWSDZWUDKIFTI-UHFFFAOYSA-N 2 2 326.444 3.343 20 0 EGADLP COC(=O)c1cccc(-c2ccc(N(CCC[NH3+])C(C)C)[nH+]c2C)c1 ZINC001164121628 1383158325 /nfs/dbraw/zinc/15/83/25/1383158325.db2.gz RFWAOQIBKNCOEP-UHFFFAOYSA-N 2 2 341.455 3.407 20 0 EGADLP Cc1ccc2nc(Cl)nc(NCC3([NH+](C)C)CC[NH+](C)CC3)c2c1 ZINC001164206856 1383165936 /nfs/dbraw/zinc/16/59/36/1383165936.db2.gz HVWIMCMKAXILCW-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP Cc1ccc2c(Cl)nnc(NCC3([NH+](C)C)CC[NH+](C)CC3)c2c1 ZINC001164210226 1383166260 /nfs/dbraw/zinc/16/62/60/1383166260.db2.gz ASJADTFHNMWZQZ-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP FCC[NH+]1CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001165105141 1383229131 /nfs/dbraw/zinc/22/91/31/1383229131.db2.gz PLNBAICEWUFGSH-UHFFFAOYSA-N 2 2 338.430 3.176 20 0 EGADLP C[NH+]1CCN(c2cccc(N3CC[C@@H](C4CCCCC4)C3)[nH+]2)CC1 ZINC001165145299 1383236648 /nfs/dbraw/zinc/23/66/48/1383236648.db2.gz VOHXIPMJRFCMDP-GOSISDBHSA-N 2 2 328.504 3.240 20 0 EGADLP CCOC(=O)CCc1ccc[nH+]c1NCC1CC[NH+](C(C)C)CC1 ZINC001166604541 1383444905 /nfs/dbraw/zinc/44/49/05/1383444905.db2.gz YTXYMSRKYNIGRN-UHFFFAOYSA-N 2 2 333.476 3.110 20 0 EGADLP COc1cc2[nH+]c(N3CCC([C@H]4CCC[NH2+]4)CC3)ccc2c(OC)c1 ZINC001166902557 1383496766 /nfs/dbraw/zinc/49/67/66/1383496766.db2.gz VEFNRXWNWQCSJW-QGZVFWFLSA-N 2 2 341.455 3.220 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348182 1383605453 /nfs/dbraw/zinc/60/54/53/1383605453.db2.gz DMGYOKKZESPXHV-QWNKOJSDSA-N 2 2 346.519 3.457 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)n1cc[nH+]c1 ZINC001167427828 1383631004 /nfs/dbraw/zinc/63/10/04/1383631004.db2.gz BCBRMULQBKEVQM-MRXNPFEDSA-N 2 2 340.471 3.008 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c(Cl)c1 ZINC001167428045 1383631334 /nfs/dbraw/zinc/63/13/34/1383631334.db2.gz GDIADNJNWZDQSC-HNNXBMFYSA-N 2 2 348.878 3.092 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001167435522 1383633254 /nfs/dbraw/zinc/63/32/54/1383633254.db2.gz CUCMLIYYSGUPIQ-GJZGRUSLSA-N 2 2 348.878 3.345 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001167839654 1383756159 /nfs/dbraw/zinc/75/61/59/1383756159.db2.gz BADQWWCRLSEEKW-INIZCTEOSA-N 2 2 334.508 3.061 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1Cc2cnn(C3CCOCC3)c2C1 ZINC001167839654 1383756160 /nfs/dbraw/zinc/75/61/60/1383756160.db2.gz BADQWWCRLSEEKW-INIZCTEOSA-N 2 2 334.508 3.061 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167978309 1383785083 /nfs/dbraw/zinc/78/50/83/1383785083.db2.gz LWYKQZTVYHBFJU-INIZCTEOSA-N 2 2 342.487 3.008 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167978309 1383785086 /nfs/dbraw/zinc/78/50/86/1383785086.db2.gz LWYKQZTVYHBFJU-INIZCTEOSA-N 2 2 342.487 3.008 20 0 EGADLP COc1nccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168020114 1383798392 /nfs/dbraw/zinc/79/83/92/1383798392.db2.gz KNPTYYRSSHDDBM-HOTGVXAUSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2cc[nH+]cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034989 1383801077 /nfs/dbraw/zinc/80/10/77/1383801077.db2.gz RZUUHQMEDAZSKI-OPVJXMOQSA-N 3 2 339.483 3.492 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2cc[nH+]cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034989 1383801082 /nfs/dbraw/zinc/80/10/82/1383801082.db2.gz RZUUHQMEDAZSKI-OPVJXMOQSA-N 3 2 339.483 3.492 20 0 EGADLP C[C@@H]1C[C@@H](N2CCc3c([nH+]cn3C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168062725 1383808532 /nfs/dbraw/zinc/80/85/32/1383808532.db2.gz LVRDJBUPNDVPCK-IZZQQSIFSA-N 2 2 338.499 3.220 20 0 EGADLP C[C@@H]1C[C@@H](N2CCc3c([nH+]cn3C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168062725 1383808537 /nfs/dbraw/zinc/80/85/37/1383808537.db2.gz LVRDJBUPNDVPCK-IZZQQSIFSA-N 2 2 338.499 3.220 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])NC2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC001168337203 1383876803 /nfs/dbraw/zinc/87/68/03/1383876803.db2.gz KLBMQZFRBFTDKO-UHFFFAOYSA-N 2 2 334.895 3.138 20 0 EGADLP Cc1ccccc1CN1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168365677 1383884885 /nfs/dbraw/zinc/88/48/85/1383884885.db2.gz DDKONGOAKPKRMT-NRFANRHFSA-N 2 2 327.516 3.033 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371609 1383887475 /nfs/dbraw/zinc/88/74/75/1383887475.db2.gz PJQZJHNNIBIXKL-GCJKJVERSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371609 1383887478 /nfs/dbraw/zinc/88/74/78/1383887478.db2.gz PJQZJHNNIBIXKL-GCJKJVERSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168373437 1383888667 /nfs/dbraw/zinc/88/86/67/1383888667.db2.gz ASVKCVUMEMZLNO-QGZVFWFLSA-N 2 2 329.488 3.260 20 0 EGADLP Cc1cc([NH+]2CCCCC2)ccc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168373437 1383888670 /nfs/dbraw/zinc/88/86/70/1383888670.db2.gz ASVKCVUMEMZLNO-QGZVFWFLSA-N 2 2 329.488 3.260 20 0 EGADLP Clc1ccc(C[NH+]2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168387243 1383892046 /nfs/dbraw/zinc/89/20/46/1383892046.db2.gz AHGGIJCJQBABGC-UHFFFAOYSA-N 2 2 347.934 3.332 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168483847 1383919170 /nfs/dbraw/zinc/91/91/70/1383919170.db2.gz BDTXRKGRTCUQAV-INIZCTEOSA-N 2 2 344.478 3.309 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168483847 1383919174 /nfs/dbraw/zinc/91/91/74/1383919174.db2.gz BDTXRKGRTCUQAV-INIZCTEOSA-N 2 2 344.478 3.309 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)Cc1cccc(F)c1)C2 ZINC001168483847 1383919179 /nfs/dbraw/zinc/91/91/79/1383919179.db2.gz BDTXRKGRTCUQAV-INIZCTEOSA-N 2 2 344.478 3.309 20 0 EGADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901928 1384052178 /nfs/dbraw/zinc/05/21/78/1384052178.db2.gz DEMIHBPIKCPNPQ-NHCUHLMSSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901928 1384052183 /nfs/dbraw/zinc/05/21/83/1384052183.db2.gz DEMIHBPIKCPNPQ-NHCUHLMSSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901928 1384052188 /nfs/dbraw/zinc/05/21/88/1384052188.db2.gz DEMIHBPIKCPNPQ-NHCUHLMSSA-N 2 2 348.531 3.276 20 0 EGADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168901928 1384052191 /nfs/dbraw/zinc/05/21/91/1384052191.db2.gz DEMIHBPIKCPNPQ-NHCUHLMSSA-N 2 2 348.531 3.276 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COc3ccc(Br)cc31)C2 ZINC001169099581 1384107482 /nfs/dbraw/zinc/10/74/82/1384107482.db2.gz BZEJGNZHQWWGOV-QVHKTLOISA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COc3ccc(Br)cc31)C2 ZINC001169099581 1384107484 /nfs/dbraw/zinc/10/74/84/1384107484.db2.gz BZEJGNZHQWWGOV-QVHKTLOISA-N 2 2 337.261 3.097 20 0 EGADLP COC(=O)[C@H](C)c1ccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169144870 1384113723 /nfs/dbraw/zinc/11/37/23/1384113723.db2.gz ODMYVSYTQJNJES-FRIZHTMISA-N 2 2 333.476 3.314 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114477 /nfs/dbraw/zinc/11/44/77/1384114477.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 3 2 339.527 3.210 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114479 /nfs/dbraw/zinc/11/44/79/1384114479.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114484 /nfs/dbraw/zinc/11/44/84/1384114484.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 3 2 339.527 3.210 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001169145566 1384114487 /nfs/dbraw/zinc/11/44/87/1384114487.db2.gz MZOHVQKTWCNSRD-CLAROIROSA-N 3 2 339.527 3.210 20 0 EGADLP COc1cc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Cl ZINC001169156435 1384116754 /nfs/dbraw/zinc/11/67/54/1384116754.db2.gz YGQTVCNNFIEORP-QLPKVWCKSA-N 2 2 349.906 3.096 20 0 EGADLP COc1cc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Cl ZINC001169156435 1384116756 /nfs/dbraw/zinc/11/67/56/1384116756.db2.gz YGQTVCNNFIEORP-QLPKVWCKSA-N 2 2 349.906 3.096 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001169261220 1384128793 /nfs/dbraw/zinc/12/87/93/1384128793.db2.gz FMRWHNFNGYOKPP-HKUYNNGSSA-N 2 2 330.472 3.097 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001169261220 1384128795 /nfs/dbraw/zinc/12/87/95/1384128795.db2.gz FMRWHNFNGYOKPP-HKUYNNGSSA-N 2 2 330.472 3.097 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130580 /nfs/dbraw/zinc/13/05/80/1384130580.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130581 /nfs/dbraw/zinc/13/05/81/1384130581.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130583 /nfs/dbraw/zinc/13/05/83/1384130583.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169268124 1384130585 /nfs/dbraw/zinc/13/05/85/1384130585.db2.gz GXORQVDUSYFIMC-RTWAWAEBSA-N 3 2 341.543 3.315 20 0 EGADLP Cc1csc2nc(C)c(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n12 ZINC001308681544 1384141941 /nfs/dbraw/zinc/14/19/41/1384141941.db2.gz RTXHDKIVVKAGLP-HNNXBMFYSA-N 2 2 343.500 3.201 20 0 EGADLP Cc1csc2nc(C)c(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n12 ZINC001308681544 1384141943 /nfs/dbraw/zinc/14/19/43/1384141943.db2.gz RTXHDKIVVKAGLP-HNNXBMFYSA-N 2 2 343.500 3.201 20 0 EGADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+](CC1CC1)C1CCC1 ZINC001308717706 1384144550 /nfs/dbraw/zinc/14/45/50/1384144550.db2.gz KSGJNUBGPIWMKM-UHFFFAOYSA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC001308717706 1384144553 /nfs/dbraw/zinc/14/45/53/1384144553.db2.gz KSGJNUBGPIWMKM-UHFFFAOYSA-N 2 2 344.499 3.162 20 0 EGADLP CC(C)CCC[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022906 1384219828 /nfs/dbraw/zinc/21/98/28/1384219828.db2.gz LVOJOAGUPSACOH-UHFFFAOYSA-N 2 2 328.460 3.018 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001170441356 1384319243 /nfs/dbraw/zinc/31/92/43/1384319243.db2.gz GWFRLGCAAGVXLD-GOSISDBHSA-N 2 2 342.483 3.154 20 0 EGADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001170441356 1384319248 /nfs/dbraw/zinc/31/92/48/1384319248.db2.gz GWFRLGCAAGVXLD-GOSISDBHSA-N 2 2 342.483 3.154 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001170451049 1384322262 /nfs/dbraw/zinc/32/22/62/1384322262.db2.gz JTGKKEQUOXFAMD-UHFFFAOYSA-N 2 2 344.459 3.413 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483975 1384329102 /nfs/dbraw/zinc/32/91/02/1384329102.db2.gz SFGRKPOUTBTHFY-IRXDYDNUSA-N 2 2 342.487 3.368 20 0 EGADLP CC1(C)[C@@H]2C[C@@H](N(c3cccc[nH+]3)[C@@H]3COC4(C3)CC[NH2+]CC4)C[C@@H]21 ZINC001170749454 1384377548 /nfs/dbraw/zinc/37/75/48/1384377548.db2.gz FIANYDDPMOWHGX-XLAORIBOSA-N 2 2 341.499 3.234 20 0 EGADLP CCOC(=O)n1nc2c(c1Nc1cc[nH+]c(C3CC3)c1)C[NH2+]C2(C)C ZINC001170761213 1384381051 /nfs/dbraw/zinc/38/10/51/1384381051.db2.gz NKCDYXHIERYXES-UHFFFAOYSA-N 2 2 341.415 3.242 20 0 EGADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045550 1384435889 /nfs/dbraw/zinc/43/58/89/1384435889.db2.gz UGNNOWHUIJYXDB-QGZVFWFLSA-N 2 2 336.907 3.240 20 0 EGADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045550 1384435891 /nfs/dbraw/zinc/43/58/91/1384435891.db2.gz UGNNOWHUIJYXDB-QGZVFWFLSA-N 2 2 336.907 3.240 20 0 EGADLP Cc1cc(NCc2ccccc2N2CC[NH2+]CC2)cc(OC(F)F)[nH+]1 ZINC001171288557 1384486535 /nfs/dbraw/zinc/48/65/35/1384486535.db2.gz MIOWJCZFWOUQLI-UHFFFAOYSA-N 2 2 348.397 3.013 20 0 EGADLP Cc1[nH+]cn([C@H]2CCc3cc(F)c(F)cc3C2)c1CSCC[NH3+] ZINC001171459032 1384528962 /nfs/dbraw/zinc/52/89/62/1384528962.db2.gz NONGCOCXFUBARA-AWEZNQCLSA-N 2 2 337.439 3.392 20 0 EGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171583705 1384571853 /nfs/dbraw/zinc/57/18/53/1384571853.db2.gz CUYRHNVTRPGVQQ-BZUAXINKSA-N 2 2 341.540 3.340 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603852 1384576457 /nfs/dbraw/zinc/57/64/57/1384576457.db2.gz CSRUUAVXAUNCGR-SJORKVTESA-N 2 2 348.535 3.146 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171607120 1384577631 /nfs/dbraw/zinc/57/76/31/1384577631.db2.gz ZJMSTWQZJQYITR-AEFFLSMTSA-N 2 2 348.535 3.146 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171607122 1384577724 /nfs/dbraw/zinc/57/77/24/1384577724.db2.gz ZJMSTWQZJQYITR-SJLPKXTDSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnc(OC3CCC3)n2)CC1(C)C ZINC001171627364 1384585344 /nfs/dbraw/zinc/58/53/44/1384585344.db2.gz QZLDEJKULOXJFH-UHFFFAOYSA-N 2 2 332.492 3.149 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001171784486 1384635377 /nfs/dbraw/zinc/63/53/77/1384635377.db2.gz OAVUZPKBAVFRCO-OAHLLOKOSA-N 2 2 328.460 3.013 20 0 EGADLP Cc1ccc(N([C@H]2Cc3cccc(F)c3C2)C2CC[NH2+]CC2)[nH+]c1 ZINC001171811060 1384645688 /nfs/dbraw/zinc/64/56/88/1384645688.db2.gz WGJPGXXYLIJPIX-KRWDZBQOSA-N 2 2 325.431 3.255 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCc1[nH+]ccn1C ZINC001171895541 1384673020 /nfs/dbraw/zinc/67/30/20/1384673020.db2.gz AOFGPJQJOVWAON-INIZCTEOSA-N 2 2 348.535 3.054 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896472 1384673800 /nfs/dbraw/zinc/67/38/00/1384673800.db2.gz OSMUWDLIQSPQER-QGZVFWFLSA-N 2 2 348.535 3.198 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H](CO)C[C@H](F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976247 1384700782 /nfs/dbraw/zinc/70/07/82/1384700782.db2.gz JOJBJYGXOWJWLC-CEXWTWQISA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@H](CO)C[C@H](F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976247 1384700785 /nfs/dbraw/zinc/70/07/85/1384700785.db2.gz JOJBJYGXOWJWLC-CEXWTWQISA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@H+]2C[C@H](CO)C[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976247 1384700788 /nfs/dbraw/zinc/70/07/88/1384700788.db2.gz JOJBJYGXOWJWLC-CEXWTWQISA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2C[C@H](CO)C[C@H](F)C2)CC[NH+]1Cc1ccccc1 ZINC001171976247 1384700791 /nfs/dbraw/zinc/70/07/91/1384700791.db2.gz JOJBJYGXOWJWLC-CEXWTWQISA-N 2 2 334.479 3.082 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103605 1384727533 /nfs/dbraw/zinc/72/75/33/1384727533.db2.gz WFUHTWDTNKGTQY-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103605 1384727541 /nfs/dbraw/zinc/72/75/41/1384727541.db2.gz WFUHTWDTNKGTQY-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103605 1384727546 /nfs/dbraw/zinc/72/75/46/1384727546.db2.gz WFUHTWDTNKGTQY-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103605 1384727549 /nfs/dbraw/zinc/72/75/49/1384727549.db2.gz WFUHTWDTNKGTQY-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172103605 1384727552 /nfs/dbraw/zinc/72/75/52/1384727552.db2.gz WFUHTWDTNKGTQY-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172103605 1384727555 /nfs/dbraw/zinc/72/75/55/1384727555.db2.gz WFUHTWDTNKGTQY-NCYKPQTJSA-N 2 2 327.516 3.256 20 0 EGADLP Cc1cccc(C)c1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122511 1384735121 /nfs/dbraw/zinc/73/51/21/1384735121.db2.gz BTKZJMFFTFEZAU-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP Cc1cccc(C)c1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122511 1384735122 /nfs/dbraw/zinc/73/51/22/1384735122.db2.gz BTKZJMFFTFEZAU-ACDBMABISA-N 2 2 327.516 3.441 20 0 EGADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC001172145507 1384738754 /nfs/dbraw/zinc/73/87/54/1384738754.db2.gz GTGZQEYYPIJQNM-SEIRJHJZSA-N 2 2 349.478 3.171 20 0 EGADLP c1ccc(N2CCC([NH2+][C@H]3CSc4ccccc4C3)CC2)[nH+]c1 ZINC001172195705 1384745208 /nfs/dbraw/zinc/74/52/08/1384745208.db2.gz GPSHGKYQJPNYJE-QGZVFWFLSA-N 2 2 325.481 3.357 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001172244787 1384755252 /nfs/dbraw/zinc/75/52/52/1384755252.db2.gz YNUDPWAOZKBDDE-UHFFFAOYSA-N 2 2 348.384 3.435 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001172327221 1384770348 /nfs/dbraw/zinc/77/03/48/1384770348.db2.gz AUCLLBKVPXHKIY-VJANTYMQSA-N 2 2 331.504 3.039 20 0 EGADLP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172847814 1384865260 /nfs/dbraw/zinc/86/52/60/1384865260.db2.gz MZFKFFQUONQJEJ-CYBMUJFWSA-N 2 2 328.859 3.240 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]CC[NH+]1CCCCCC1 ZINC001172943475 1384885322 /nfs/dbraw/zinc/88/53/22/1384885322.db2.gz HWLDAWQDYXXKKW-INIZCTEOSA-N 2 2 327.513 3.098 20 0 EGADLP CCCOC1CCC([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)CC1 ZINC001173097615 1384913729 /nfs/dbraw/zinc/91/37/29/1384913729.db2.gz DFIAZCMKUSTTBC-UHFFFAOYSA-N 2 2 348.535 3.277 20 0 EGADLP CCCOC1CCC([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3C2)CC1 ZINC001173097615 1384913733 /nfs/dbraw/zinc/91/37/33/1384913733.db2.gz DFIAZCMKUSTTBC-UHFFFAOYSA-N 2 2 348.535 3.277 20 0 EGADLP CCCOC1CCC([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3C2)CC1 ZINC001173097615 1384913738 /nfs/dbraw/zinc/91/37/38/1384913738.db2.gz DFIAZCMKUSTTBC-UHFFFAOYSA-N 2 2 348.535 3.277 20 0 EGADLP CCCOC1CCC([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)CC1 ZINC001173097615 1384913748 /nfs/dbraw/zinc/91/37/48/1384913748.db2.gz DFIAZCMKUSTTBC-UHFFFAOYSA-N 2 2 348.535 3.277 20 0 EGADLP COC(=O)CCCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001173460500 1384975181 /nfs/dbraw/zinc/97/51/81/1384975181.db2.gz YTENFGWVSPTEFX-MRXNPFEDSA-N 2 2 333.476 3.070 20 0 EGADLP COC(=O)c1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC001173712636 1385007103 /nfs/dbraw/zinc/00/71/03/1385007103.db2.gz SBHCKDSDWRMBBX-IAGOWNOFSA-N 2 2 332.488 3.114 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001317250311 1385021681 /nfs/dbraw/zinc/02/16/81/1385021681.db2.gz BFXOZKWXXKJFDF-RDJZCZTQSA-N 2 2 336.439 3.194 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174580214 1385122026 /nfs/dbraw/zinc/12/20/26/1385122026.db2.gz IDZKDPSMGBTCIC-ZWKOTPCHSA-N 2 2 336.524 3.220 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001174581605 1385122412 /nfs/dbraw/zinc/12/24/12/1385122412.db2.gz VAEBEKFBTHXPHY-ROUUACIJSA-N 2 2 342.487 3.299 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCn1cc[nH+]c1 ZINC001174582052 1385122666 /nfs/dbraw/zinc/12/26/66/1385122666.db2.gz YSAQMTBOFYVUAC-QGZVFWFLSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461026 1385299644 /nfs/dbraw/zinc/29/96/44/1385299644.db2.gz KYKGIHUNBUKAKA-DLBZAZTESA-N 2 2 342.487 3.286 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501938 1385312837 /nfs/dbraw/zinc/31/28/37/1385312837.db2.gz HRFCWGDRSNSTKR-HOTGVXAUSA-N 2 2 348.516 3.361 20 0 EGADLP CCN(C)c1ccc(Nc2ccc(N3CC[NH+](CC)CC3)cc2)c[nH+]1 ZINC001175780894 1385402922 /nfs/dbraw/zinc/40/29/22/1385402922.db2.gz BNHGDJBZQDMPLT-UHFFFAOYSA-N 2 2 339.487 3.423 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881363 1385428957 /nfs/dbraw/zinc/42/89/57/1385428957.db2.gz OKEFBTFSJMJMNS-HUUCEWRRSA-N 2 2 346.450 3.117 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCC1 ZINC001176351454 1385559739 /nfs/dbraw/zinc/55/97/39/1385559739.db2.gz UIKGYWOFDSPDKL-OAHLLOKOSA-N 2 2 334.508 3.106 20 0 EGADLP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001177344958 1385922201 /nfs/dbraw/zinc/92/22/01/1385922201.db2.gz FFEUBJGPHSOILM-IBGZPJMESA-N 2 2 348.535 3.489 20 0 EGADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001177506979 1385981880 /nfs/dbraw/zinc/98/18/80/1385981880.db2.gz XJAYWTGFQFIMCQ-ICSRJNTNSA-N 2 2 346.515 3.314 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001319461596 1386131969 /nfs/dbraw/zinc/13/19/69/1386131969.db2.gz UJSLLKAPEVDEBE-HOTGVXAUSA-N 2 2 344.503 3.375 20 0 EGADLP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001319575185 1386186697 /nfs/dbraw/zinc/18/66/97/1386186697.db2.gz AYPPTBHGKWIYIF-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCC[NH2+]CC3CCC3)ccn12 ZINC001178483550 1386230905 /nfs/dbraw/zinc/23/09/05/1386230905.db2.gz CWNJATWVTPLFJU-UHFFFAOYSA-N 2 2 342.487 3.323 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178653768 1386269788 /nfs/dbraw/zinc/26/97/88/1386269788.db2.gz ICSXMZTZXFKCHS-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CC1CCCCC1 ZINC001178653768 1386269795 /nfs/dbraw/zinc/26/97/95/1386269795.db2.gz ICSXMZTZXFKCHS-UHFFFAOYSA-N 2 2 334.508 3.189 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC001178721920 1386290316 /nfs/dbraw/zinc/29/03/16/1386290316.db2.gz SAVNJIMWWOGACK-NVXWUHKLSA-N 2 2 334.423 3.041 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC001178721920 1386290321 /nfs/dbraw/zinc/29/03/21/1386290321.db2.gz SAVNJIMWWOGACK-NVXWUHKLSA-N 2 2 334.423 3.041 20 0 EGADLP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957321 1386360549 /nfs/dbraw/zinc/36/05/49/1386360549.db2.gz XFOBLMOJBJGXSU-BZSNNMDCSA-N 2 2 334.508 3.240 20 0 EGADLP CC(C)CC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009728 1386374954 /nfs/dbraw/zinc/37/49/54/1386374954.db2.gz OKQQQHFEZBDAPW-UHFFFAOYSA-N 2 2 330.476 3.260 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179097170 1386399945 /nfs/dbraw/zinc/39/99/45/1386399945.db2.gz FGXGVHBQQJOJDG-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001179621580 1386533754 /nfs/dbraw/zinc/53/37/54/1386533754.db2.gz ACBTVBNCQLVFIN-NDGGLFBWSA-N 2 2 332.492 3.160 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001179689450 1386554288 /nfs/dbraw/zinc/55/42/88/1386554288.db2.gz CBKRXMXWTLPEJU-ROUUACIJSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@@H](CC(=O)NCCCCCC[NH2+]CC1CCCC1)n1cc[nH+]c1 ZINC001179705454 1386560751 /nfs/dbraw/zinc/56/07/51/1386560751.db2.gz FLCSPLDQZMPFHY-KRWDZBQOSA-N 2 2 334.508 3.291 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001179777187 1386581697 /nfs/dbraw/zinc/58/16/97/1386581697.db2.gz PSUOCNAFSMKLIO-VGOKWCNXSA-N 2 2 334.508 3.211 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001179777187 1386581699 /nfs/dbraw/zinc/58/16/99/1386581699.db2.gz PSUOCNAFSMKLIO-VGOKWCNXSA-N 2 2 334.508 3.211 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CC1CCC(C)CC1 ZINC001180158798 1386717151 /nfs/dbraw/zinc/71/71/51/1386717151.db2.gz QZXZPZCZTGMDLS-UHFFFAOYSA-N 2 2 348.535 3.353 20 0 EGADLP CCC/C=C\CC[NH2+]CCCCCCNC(=O)CCc1c[nH+]cn1C ZINC001180178566 1386722233 /nfs/dbraw/zinc/72/22/33/1386722233.db2.gz IYBKDHNGZKDGRM-WAYWQWQTSA-N 2 2 348.535 3.365 20 0 EGADLP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)n1cc[nH+]c1 ZINC001321771735 1386980656 /nfs/dbraw/zinc/98/06/56/1386980656.db2.gz BCZGJUYQYBPJFH-KRWDZBQOSA-N 2 2 340.471 3.137 20 0 EGADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001182874169 1387238276 /nfs/dbraw/zinc/23/82/76/1387238276.db2.gz PDZKUQXMXBYEIT-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)[nH+]1 ZINC001322861224 1387248105 /nfs/dbraw/zinc/24/81/05/1387248105.db2.gz HZFYVJUJFOZDLN-QGZVFWFLSA-N 2 2 339.439 3.238 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001698710925 1406352629 /nfs/dbraw/zinc/35/26/29/1406352629.db2.gz CFCGMUGJXIVQDH-XSLAGTTESA-N 2 2 348.535 3.288 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001698710925 1406352632 /nfs/dbraw/zinc/35/26/32/1406352632.db2.gz CFCGMUGJXIVQDH-XSLAGTTESA-N 2 2 348.535 3.288 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccnc(OC(C)C)c1 ZINC001332782236 1390187015 /nfs/dbraw/zinc/18/70/15/1390187015.db2.gz DVAWSZBTRXPOIP-UHFFFAOYSA-N 2 2 337.383 3.010 20 0 EGADLP CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001340138377 1390234606 /nfs/dbraw/zinc/23/46/06/1390234606.db2.gz GJQFNIWEHJQRND-GZBFAFLISA-N 2 2 338.521 3.077 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001479371712 1392228033 /nfs/dbraw/zinc/22/80/33/1392228033.db2.gz VZPIOHUODPOOMS-DWRORGKVSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001479371712 1392228036 /nfs/dbraw/zinc/22/80/36/1392228036.db2.gz VZPIOHUODPOOMS-DWRORGKVSA-N 2 2 346.519 3.043 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)c(C)[nH+]1 ZINC001480617921 1392822880 /nfs/dbraw/zinc/82/28/80/1392822880.db2.gz QAKHKRUGLYBDET-KSSFIOAISA-N 2 2 331.504 3.493 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001480767290 1392921227 /nfs/dbraw/zinc/92/12/27/1392921227.db2.gz JGSHMTVVHSBKMZ-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001480767290 1392921232 /nfs/dbraw/zinc/92/12/32/1392921232.db2.gz JGSHMTVVHSBKMZ-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[N@H+](CCCC1CCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514915 1394362522 /nfs/dbraw/zinc/36/25/22/1394362522.db2.gz UENLOKIGAVWHRY-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514915 1394362529 /nfs/dbraw/zinc/36/25/29/1394362529.db2.gz UENLOKIGAVWHRY-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CCCC1CCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514915 1394362533 /nfs/dbraw/zinc/36/25/33/1394362533.db2.gz UENLOKIGAVWHRY-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514915 1394362537 /nfs/dbraw/zinc/36/25/37/1394362537.db2.gz UENLOKIGAVWHRY-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761222 1395514155 /nfs/dbraw/zinc/51/41/55/1395514155.db2.gz USOZXDBLHAPHHT-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761222 1395514159 /nfs/dbraw/zinc/51/41/59/1395514159.db2.gz USOZXDBLHAPHHT-CQSZACIVSA-N 2 2 348.878 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001484766437 1395520916 /nfs/dbraw/zinc/52/09/16/1395520916.db2.gz RMHQEWLYYWTASW-SJLPKXTDSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001484766437 1395520922 /nfs/dbraw/zinc/52/09/22/1395520922.db2.gz RMHQEWLYYWTASW-SJLPKXTDSA-N 2 2 348.535 3.257 20 0 EGADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505752 1404618203 /nfs/dbraw/zinc/61/82/03/1404618203.db2.gz XCAVASOPCZJVOY-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505752 1404618204 /nfs/dbraw/zinc/61/82/04/1404618204.db2.gz XCAVASOPCZJVOY-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1ccc(Cl)cc1 ZINC001691050400 1404966567 /nfs/dbraw/zinc/96/65/67/1404966567.db2.gz SCDQAUYTSMOSFI-CQSZACIVSA-N 2 2 348.878 3.113 20 0 EGADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1ccc(Cl)cc1 ZINC001691050400 1404966568 /nfs/dbraw/zinc/96/65/68/1404966568.db2.gz SCDQAUYTSMOSFI-CQSZACIVSA-N 2 2 348.878 3.113 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001698601518 1406227416 /nfs/dbraw/zinc/22/74/16/1406227416.db2.gz TZYFKDIZKTULNV-BBRMVZONSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001698601518 1406227421 /nfs/dbraw/zinc/22/74/21/1406227421.db2.gz TZYFKDIZKTULNV-BBRMVZONSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)n1cc[nH+]c1 ZINC001732396847 1428564038 /nfs/dbraw/zinc/56/40/38/1428564038.db2.gz ODOVLUGOFKZHHT-KRWDZBQOSA-N 2 2 340.471 3.053 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699207591 1412574562 /nfs/dbraw/zinc/57/45/62/1412574562.db2.gz TVQLMGDBOQQINU-CVEARBPZSA-N 2 2 346.450 3.173 20 0 EGADLP CC1(NC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CC2CCCCCC2)CC1 ZINC001699770677 1413177191 /nfs/dbraw/zinc/17/71/91/1413177191.db2.gz LALOKEFSZWWLBS-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP CC1(NC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CC2CCCCCC2)CC1 ZINC001699770677 1413177193 /nfs/dbraw/zinc/17/71/93/1413177193.db2.gz LALOKEFSZWWLBS-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001700194268 1413630131 /nfs/dbraw/zinc/63/01/31/1413630131.db2.gz RSGTUPNSCYDETO-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001700194268 1413630134 /nfs/dbraw/zinc/63/01/34/1413630134.db2.gz RSGTUPNSCYDETO-AWEZNQCLSA-N 2 2 348.878 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC1CCCC1 ZINC001700363741 1413881813 /nfs/dbraw/zinc/88/18/13/1413881813.db2.gz MCQQGMUNQYOAFH-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC1CCCC1 ZINC001700363741 1413881816 /nfs/dbraw/zinc/88/18/16/1413881816.db2.gz MCQQGMUNQYOAFH-GOSISDBHSA-N 2 2 346.519 3.154 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001732784733 1428968446 /nfs/dbraw/zinc/96/84/46/1428968446.db2.gz BMOKIBSTXUZSBE-MRXNPFEDSA-N 2 2 336.439 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001713137335 1417720723 /nfs/dbraw/zinc/72/07/23/1417720723.db2.gz YSQPWFIFEORADP-WMZOPIPTSA-N 2 2 348.535 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001713137335 1417720725 /nfs/dbraw/zinc/72/07/25/1417720725.db2.gz YSQPWFIFEORADP-WMZOPIPTSA-N 2 2 348.535 3.113 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC001713643093 1418408722 /nfs/dbraw/zinc/40/87/22/1418408722.db2.gz CNHNKXVAJABGRF-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC001713643093 1418408725 /nfs/dbraw/zinc/40/87/25/1418408725.db2.gz CNHNKXVAJABGRF-UONOGXRCSA-N 2 2 348.878 3.051 20 0 EGADLP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CC1CCCCC1 ZINC001714075302 1418869513 /nfs/dbraw/zinc/86/95/13/1418869513.db2.gz WIZUGDHOJJRLCJ-SFHVURJKSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714547244 1419274079 /nfs/dbraw/zinc/27/40/79/1419274079.db2.gz BTWZUZMDZIFUMQ-CYBMUJFWSA-N 2 2 340.402 3.125 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714547244 1419274080 /nfs/dbraw/zinc/27/40/80/1419274080.db2.gz BTWZUZMDZIFUMQ-CYBMUJFWSA-N 2 2 340.402 3.125 20 0 EGADLP C[C@@H]([NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1)c1ccccc1 ZINC001714841365 1419554029 /nfs/dbraw/zinc/55/40/29/1419554029.db2.gz UDBKLBBJKMRSJI-UZLBHIALSA-N 2 2 348.450 3.161 20 0 EGADLP CC(C)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCC1 ZINC001715594824 1420263645 /nfs/dbraw/zinc/26/36/45/1420263645.db2.gz VIJGYKXRASBJLB-QGZVFWFLSA-N 2 2 342.487 3.259 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CC3CCCCCC3)ccn12 ZINC001715930541 1420403086 /nfs/dbraw/zinc/40/30/86/1420403086.db2.gz VCBLCSJAJPFDEJ-OAHLLOKOSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030956 1420489682 /nfs/dbraw/zinc/48/96/82/1420489682.db2.gz YWHICCNHULDBJJ-GJZGRUSLSA-N 2 2 336.439 3.374 20 0 EGADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716030956 1420489685 /nfs/dbraw/zinc/48/96/85/1420489685.db2.gz YWHICCNHULDBJJ-GJZGRUSLSA-N 2 2 336.439 3.374 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001716636177 1420794050 /nfs/dbraw/zinc/79/40/50/1420794050.db2.gz IGVAKTRDMQERCW-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CC ZINC001716636178 1420794127 /nfs/dbraw/zinc/79/41/27/1420794127.db2.gz IGVAKTRDMQERCW-ZWKOTPCHSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001716685882 1420839478 /nfs/dbraw/zinc/83/94/78/1420839478.db2.gz PXNKTZQVZYQUDL-AWEZNQCLSA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001716710993 1420863731 /nfs/dbraw/zinc/86/37/31/1420863731.db2.gz NSVOWJNGSIAYQA-QRVBRYPASA-N 2 2 346.519 3.021 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001716710993 1420863734 /nfs/dbraw/zinc/86/37/34/1420863734.db2.gz NSVOWJNGSIAYQA-QRVBRYPASA-N 2 2 346.519 3.021 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717378509 1421321377 /nfs/dbraw/zinc/32/13/77/1421321377.db2.gz WFSLUBMDGRRCFM-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001717378509 1421321379 /nfs/dbraw/zinc/32/13/79/1421321379.db2.gz WFSLUBMDGRRCFM-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCCC2CCCC2)C1 ZINC001733465805 1429699700 /nfs/dbraw/zinc/69/97/00/1429699700.db2.gz PJUVASBVHIIAON-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001733465805 1429699708 /nfs/dbraw/zinc/69/97/08/1429699708.db2.gz PJUVASBVHIIAON-HXUWFJFHSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001723313214 1424347039 /nfs/dbraw/zinc/34/70/39/1424347039.db2.gz VIQJSWNGLCXXCQ-DOTOQJQBSA-N 2 2 342.487 3.115 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001725590255 1426245711 /nfs/dbraw/zinc/24/57/11/1426245711.db2.gz KNWLVMOUTAFKTR-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731349047 1427286717 /nfs/dbraw/zinc/28/67/17/1427286717.db2.gz PDSFIPNTQMKTGH-UHFFFAOYSA-N 2 2 334.508 3.022 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350538 1427288692 /nfs/dbraw/zinc/28/86/92/1427288692.db2.gz IGLXYNASXGCXOV-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001731350538 1427288693 /nfs/dbraw/zinc/28/86/93/1427288693.db2.gz IGLXYNASXGCXOV-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCC1CCCC1 ZINC001734045675 1437834308 /nfs/dbraw/zinc/83/43/08/1437834308.db2.gz LGMQGONYHJEAKT-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCC1CCCC1 ZINC001734045675 1437834312 /nfs/dbraw/zinc/83/43/12/1437834312.db2.gz LGMQGONYHJEAKT-CQSZACIVSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734333973 1438056436 /nfs/dbraw/zinc/05/64/36/1438056436.db2.gz JCOJHXTWZNALAQ-INIZCTEOSA-N 2 2 342.487 3.359 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001734423079 1438090673 /nfs/dbraw/zinc/09/06/73/1438090673.db2.gz VXMIBVZBHSBMDM-KSSFIOAISA-N 2 2 342.487 3.272 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001752807336 1440215973 /nfs/dbraw/zinc/21/59/73/1440215973.db2.gz FKZWQUFJMHUHPX-DLBZAZTESA-N 2 2 334.508 3.099 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752971190 1440254966 /nfs/dbraw/zinc/25/49/66/1440254966.db2.gz JMEYQWPABSZJGF-ZLKFPQNLSA-N 2 2 345.487 3.006 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001753037280 1440275008 /nfs/dbraw/zinc/27/50/08/1440275008.db2.gz NGZPSRKHJFVLRN-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001753037280 1440275009 /nfs/dbraw/zinc/27/50/09/1440275009.db2.gz NGZPSRKHJFVLRN-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)C[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001753300738 1440353964 /nfs/dbraw/zinc/35/39/64/1440353964.db2.gz ZMPDAVMOVDIFTO-LJQANCHMSA-N 2 2 336.439 3.280 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[N@H+](C)CCCF)CC2)c(C)[nH+]1 ZINC001753364579 1440384445 /nfs/dbraw/zinc/38/44/45/1440384445.db2.gz IPEDFAZXQUGACZ-UHFFFAOYSA-N 2 2 335.467 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[N@@H+](C)CCCF)CC2)c(C)[nH+]1 ZINC001753364579 1440384446 /nfs/dbraw/zinc/38/44/46/1440384446.db2.gz IPEDFAZXQUGACZ-UHFFFAOYSA-N 2 2 335.467 3.150 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001753586672 1440441493 /nfs/dbraw/zinc/44/14/93/1440441493.db2.gz XUZGDLZYIWSLDM-SZMVWBNQSA-N 2 2 344.503 3.106 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001753586672 1440441494 /nfs/dbraw/zinc/44/14/94/1440441494.db2.gz XUZGDLZYIWSLDM-SZMVWBNQSA-N 2 2 344.503 3.106 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]CC3=CCCCC3)ccn12 ZINC001753614269 1440449345 /nfs/dbraw/zinc/44/93/45/1440449345.db2.gz KXAUXVMBMUWOHH-OAHLLOKOSA-N 2 2 340.471 3.099 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001753618280 1440450025 /nfs/dbraw/zinc/45/00/25/1440450025.db2.gz IHZDTUUIDTVLCI-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001753618280 1440450026 /nfs/dbraw/zinc/45/00/26/1440450026.db2.gz IHZDTUUIDTVLCI-ZIAGYGMSSA-N 2 2 348.878 3.099 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753704428 1440469175 /nfs/dbraw/zinc/46/91/75/1440469175.db2.gz CBPOZDFTIWFMQH-KEGWNNHHSA-N 2 2 340.471 3.279 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753714660 1440471465 /nfs/dbraw/zinc/47/14/65/1440471465.db2.gz GTKHXJNMMKIYAE-KGLIPLIRSA-N 2 2 348.516 3.149 20 0 EGADLP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753783004 1440487639 /nfs/dbraw/zinc/48/76/39/1440487639.db2.gz TYVZSHBEOMSZDD-IBGZPJMESA-N 2 2 340.471 3.255 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001753864603 1440513457 /nfs/dbraw/zinc/51/34/57/1440513457.db2.gz QKMNHAYRHYYQHF-QGZVFWFLSA-N 2 2 348.535 3.441 20 0 EGADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001753864603 1440513458 /nfs/dbraw/zinc/51/34/58/1440513458.db2.gz QKMNHAYRHYYQHF-QGZVFWFLSA-N 2 2 348.535 3.441 20 0 EGADLP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001754050819 1440535655 /nfs/dbraw/zinc/53/56/55/1440535655.db2.gz MEEYNJDBVUCZIH-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001754050819 1440535656 /nfs/dbraw/zinc/53/56/56/1440535656.db2.gz MEEYNJDBVUCZIH-IAGOWNOFSA-N 2 2 346.519 3.168 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754285873 1440564202 /nfs/dbraw/zinc/56/42/02/1440564202.db2.gz PKQZUGYWEBLHLA-LSDHHAIUSA-N 2 2 348.878 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001754343405 1440588994 /nfs/dbraw/zinc/58/89/94/1440588994.db2.gz SYNXSQSIKJSMDJ-GXTWGEPZSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001754343405 1440588995 /nfs/dbraw/zinc/58/89/95/1440588995.db2.gz SYNXSQSIKJSMDJ-GXTWGEPZSA-N 2 2 348.878 3.112 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001754344064 1440589390 /nfs/dbraw/zinc/58/93/90/1440589390.db2.gz DRJQPHZAHPDMNX-PKOBYXMFSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001754344064 1440589391 /nfs/dbraw/zinc/58/93/91/1440589391.db2.gz DRJQPHZAHPDMNX-PKOBYXMFSA-N 2 2 346.519 3.187 20 0 EGADLP CCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001754599151 1440642090 /nfs/dbraw/zinc/64/20/90/1440642090.db2.gz YRYBURGINOFOGV-HOCLYGCPSA-N 2 2 328.460 3.336 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001754617704 1440644788 /nfs/dbraw/zinc/64/47/88/1440644788.db2.gz TYSDZNYNRBRCJT-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001754617704 1440644789 /nfs/dbraw/zinc/64/47/89/1440644789.db2.gz TYSDZNYNRBRCJT-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H](F)C[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001754717943 1440672116 /nfs/dbraw/zinc/67/21/16/1440672116.db2.gz KJWXPCPTNPXUIU-HNNXBMFYSA-N 2 2 346.450 3.143 20 0 EGADLP CCCCCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001755109606 1440754136 /nfs/dbraw/zinc/75/41/36/1440754136.db2.gz CRMZPHGITNODCS-KDOFPFPSSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755130068 1440756973 /nfs/dbraw/zinc/75/69/73/1440756973.db2.gz DCRCXXULKRHYQP-ZWKOTPCHSA-N 2 2 348.535 3.487 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+](C)CCC3CCCC3)ccn12 ZINC001755300260 1440808146 /nfs/dbraw/zinc/80/81/46/1440808146.db2.gz NDCBEKZGBSCKSY-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+](C)CCC3CCCC3)ccn12 ZINC001755300260 1440808147 /nfs/dbraw/zinc/80/81/47/1440808147.db2.gz NDCBEKZGBSCKSY-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755317151 1440816322 /nfs/dbraw/zinc/81/63/22/1440816322.db2.gz ATBPVGXCDQUHAV-INIZCTEOSA-N 2 2 344.503 3.058 20 0 EGADLP CCC(CC)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001755317151 1440816323 /nfs/dbraw/zinc/81/63/23/1440816323.db2.gz ATBPVGXCDQUHAV-INIZCTEOSA-N 2 2 344.503 3.058 20 0 EGADLP Cc1cccn2cc(CC(=O)NC[C@@H](C)[N@H+](C)CCC(C)(C)C)[nH+]c12 ZINC001755318779 1440817127 /nfs/dbraw/zinc/81/71/27/1440817127.db2.gz RRZOEGCRUHMKJY-MRXNPFEDSA-N 2 2 344.503 3.058 20 0 EGADLP Cc1cccn2cc(CC(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C)[nH+]c12 ZINC001755318779 1440817128 /nfs/dbraw/zinc/81/71/28/1440817128.db2.gz RRZOEGCRUHMKJY-MRXNPFEDSA-N 2 2 344.503 3.058 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCCC(C)(C)C ZINC001755368878 1440836505 /nfs/dbraw/zinc/83/65/05/1440836505.db2.gz XGGRNUOPJFLAIG-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCCC[N@H+]1CCCC(C)(C)C ZINC001755368878 1440836506 /nfs/dbraw/zinc/83/65/06/1440836506.db2.gz XGGRNUOPJFLAIG-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CCCC2CCCC2)c[nH+]1 ZINC001755592579 1440881761 /nfs/dbraw/zinc/88/17/61/1440881761.db2.gz HOORODZQLYYJMM-INIZCTEOSA-N 2 2 348.535 3.334 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001755657343 1440892171 /nfs/dbraw/zinc/89/21/71/1440892171.db2.gz BYWPQAJQBLZTPS-MBZYTVFJSA-N 2 2 340.471 3.273 20 0 EGADLP C[C@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755825936 1440927256 /nfs/dbraw/zinc/92/72/56/1440927256.db2.gz XBOBGIWEDHHHTO-MAUKXSAKSA-N 2 2 342.487 3.224 20 0 EGADLP C[C@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C)c1ccccc1 ZINC001755825936 1440927257 /nfs/dbraw/zinc/92/72/57/1440927257.db2.gz XBOBGIWEDHHHTO-MAUKXSAKSA-N 2 2 342.487 3.224 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c2c1C ZINC001165046334 721971079 /nfs/dbraw/zinc/97/10/79/721971079.db2.gz DXPLXPMGPNGUSH-INIZCTEOSA-N 2 2 327.476 3.420 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000368232637 168329131 /nfs/dbraw/zinc/32/91/31/168329131.db2.gz BQSCPKQXOPZDNO-WQANXHIZSA-N 2 2 340.471 3.329 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000368232637 168329132 /nfs/dbraw/zinc/32/91/32/168329132.db2.gz BQSCPKQXOPZDNO-WQANXHIZSA-N 2 2 340.471 3.329 20 0 EGADLP CC[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878021 529611288 /nfs/dbraw/zinc/61/12/88/529611288.db2.gz DBEDVMDWDGAYTJ-OALUTQOASA-N 2 2 326.488 3.371 20 0 EGADLP CC[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000186878021 529611292 /nfs/dbraw/zinc/61/12/92/529611292.db2.gz DBEDVMDWDGAYTJ-OALUTQOASA-N 2 2 326.488 3.371 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000346529206 282232225 /nfs/dbraw/zinc/23/22/25/282232225.db2.gz TXBAEAYJBJTIMH-SFHVURJKSA-N 2 2 349.906 3.030 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352527272 282240123 /nfs/dbraw/zinc/24/01/23/282240123.db2.gz YNUAJGQZVJUXAH-LJQANCHMSA-N 2 2 344.890 3.410 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352527272 282240125 /nfs/dbraw/zinc/24/01/25/282240125.db2.gz YNUAJGQZVJUXAH-LJQANCHMSA-N 2 2 344.890 3.410 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112095 529706345 /nfs/dbraw/zinc/70/63/45/529706345.db2.gz DELZQMLDNXQAPK-SJORKVTESA-N 2 2 342.487 3.033 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181112095 529706347 /nfs/dbraw/zinc/70/63/47/529706347.db2.gz DELZQMLDNXQAPK-SJORKVTESA-N 2 2 342.487 3.033 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000221823408 282308206 /nfs/dbraw/zinc/30/82/06/282308206.db2.gz MEZWMNWDJYIFIK-KXBFYZLASA-N 3 2 344.528 3.382 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000221823408 282308210 /nfs/dbraw/zinc/30/82/10/282308210.db2.gz MEZWMNWDJYIFIK-KXBFYZLASA-N 3 2 344.528 3.382 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)C1CC1 ZINC000186875913 530000282 /nfs/dbraw/zinc/00/02/82/530000282.db2.gz WWVOWQOUTHIWJK-FQEVSTJZSA-N 2 2 344.499 3.172 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)C1CC1 ZINC000186875913 530000284 /nfs/dbraw/zinc/00/02/84/530000284.db2.gz WWVOWQOUTHIWJK-FQEVSTJZSA-N 2 2 344.499 3.172 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000166397581 530063559 /nfs/dbraw/zinc/06/35/59/530063559.db2.gz DGLUZKLATZAMHA-FQEVSTJZSA-N 2 2 347.466 3.118 20 0 EGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000166397581 530063560 /nfs/dbraw/zinc/06/35/60/530063560.db2.gz DGLUZKLATZAMHA-FQEVSTJZSA-N 2 2 347.466 3.118 20 0 EGADLP c1cn2c(cccc2C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)[nH+]1 ZINC000179594635 233201695 /nfs/dbraw/zinc/20/16/95/233201695.db2.gz KONDUPQQPBFIAM-HXUWFJFHSA-N 2 2 335.407 3.346 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072595 283028018 /nfs/dbraw/zinc/02/80/18/283028018.db2.gz RNHWHEHFSJFFGW-CYBMUJFWSA-N 2 2 325.391 3.319 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072595 283028020 /nfs/dbraw/zinc/02/80/20/283028020.db2.gz RNHWHEHFSJFFGW-CYBMUJFWSA-N 2 2 325.391 3.319 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Br ZINC000037292586 213139102 /nfs/dbraw/zinc/13/91/02/213139102.db2.gz MRDIOZFFXAGFQQ-HUUCEWRRSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Br ZINC000037292586 213139106 /nfs/dbraw/zinc/13/91/06/213139106.db2.gz MRDIOZFFXAGFQQ-HUUCEWRRSA-N 2 2 339.277 3.174 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129730866 223085655 /nfs/dbraw/zinc/08/56/55/223085655.db2.gz ZUNNUZQFPHIKRC-SJLPKXTDSA-N 2 2 326.444 3.103 20 0 EGADLP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129730866 223085656 /nfs/dbraw/zinc/08/56/56/223085656.db2.gz ZUNNUZQFPHIKRC-SJLPKXTDSA-N 2 2 326.444 3.103 20 0 EGADLP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@H+](C)C1CC1 ZINC000130996643 223194754 /nfs/dbraw/zinc/19/47/54/223194754.db2.gz UMFPRHITOPHVDJ-OAHLLOKOSA-N 2 2 335.923 3.377 20 0 EGADLP C[C@H](CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+](C)C1CC1 ZINC000130996643 223194755 /nfs/dbraw/zinc/19/47/55/223194755.db2.gz UMFPRHITOPHVDJ-OAHLLOKOSA-N 2 2 335.923 3.377 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719741 216298929 /nfs/dbraw/zinc/29/89/29/216298929.db2.gz MKZKDVWXXRGBKJ-ZWKOTPCHSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719741 216298932 /nfs/dbraw/zinc/29/89/32/216298932.db2.gz MKZKDVWXXRGBKJ-ZWKOTPCHSA-N 2 2 329.488 3.130 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000072803347 216307714 /nfs/dbraw/zinc/30/77/14/216307714.db2.gz XFGGZHHQDUHUKG-DLBZAZTESA-N 2 2 347.503 3.076 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000072803347 216307718 /nfs/dbraw/zinc/30/77/18/216307718.db2.gz XFGGZHHQDUHUKG-DLBZAZTESA-N 2 2 347.503 3.076 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000072859307 216318685 /nfs/dbraw/zinc/31/86/85/216318685.db2.gz KBCXLCPJZAASSR-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000072859307 216318688 /nfs/dbraw/zinc/31/86/88/216318688.db2.gz KBCXLCPJZAASSR-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859307 216318690 /nfs/dbraw/zinc/31/86/90/216318690.db2.gz KBCXLCPJZAASSR-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000072859307 216318693 /nfs/dbraw/zinc/31/86/93/216318693.db2.gz KBCXLCPJZAASSR-ZIFCJYIRSA-N 2 2 345.531 3.088 20 0 EGADLP C=Cn1cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000193987718 240389599 /nfs/dbraw/zinc/38/95/99/240389599.db2.gz PVXXJYWDRRGMCT-UHFFFAOYSA-N 2 2 325.460 3.117 20 0 EGADLP C=Cn1cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000193987718 240389608 /nfs/dbraw/zinc/38/96/08/240389608.db2.gz PVXXJYWDRRGMCT-UHFFFAOYSA-N 2 2 325.460 3.117 20 0 EGADLP C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231669751 242268988 /nfs/dbraw/zinc/26/89/88/242268988.db2.gz MAEVUGQVOKXFFM-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231669751 242268994 /nfs/dbraw/zinc/26/89/94/242268994.db2.gz MAEVUGQVOKXFFM-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C[N@@H+]1C1CC1 ZINC000245772687 243155126 /nfs/dbraw/zinc/15/51/26/243155126.db2.gz SNYMYEPVJYZPTP-JRPNMDOOSA-N 2 2 329.271 3.242 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C[N@H+]1C1CC1 ZINC000245772687 243155127 /nfs/dbraw/zinc/15/51/27/243155127.db2.gz SNYMYEPVJYZPTP-JRPNMDOOSA-N 2 2 329.271 3.242 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H](C)c3ccccn3)c2cc1C ZINC000245691202 243145541 /nfs/dbraw/zinc/14/55/41/243145541.db2.gz WCBBWDPTZSMNPJ-IAGOWNOFSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)c3ccccn3)c2cc1C ZINC000245691202 243145547 /nfs/dbraw/zinc/14/55/47/243145547.db2.gz WCBBWDPTZSMNPJ-IAGOWNOFSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)n2)ccc1F ZINC000246347891 243233591 /nfs/dbraw/zinc/23/35/91/243233591.db2.gz IXXUEWCIAJSMJI-KGLIPLIRSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)n2)ccc1F ZINC000246347891 243233594 /nfs/dbraw/zinc/23/35/94/243233594.db2.gz IXXUEWCIAJSMJI-KGLIPLIRSA-N 2 2 332.423 3.129 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246119307 284339630 /nfs/dbraw/zinc/33/96/30/284339630.db2.gz CWNMKOYQQYWFNE-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246119307 284339631 /nfs/dbraw/zinc/33/96/31/284339631.db2.gz CWNMKOYQQYWFNE-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000079557340 217240836 /nfs/dbraw/zinc/24/08/36/217240836.db2.gz RBKBARNURYMGMI-VQIMIIECSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000079557340 217240840 /nfs/dbraw/zinc/24/08/40/217240840.db2.gz RBKBARNURYMGMI-VQIMIIECSA-N 2 2 348.450 3.117 20 0 EGADLP Cc1ccn2cc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)[nH+]c2c1 ZINC000264135845 246096611 /nfs/dbraw/zinc/09/66/11/246096611.db2.gz FIRUSKBANDPOBB-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918287 247042692 /nfs/dbraw/zinc/04/26/92/247042692.db2.gz QIKDYDGNCQDDDR-OALUTQOASA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918287 247042695 /nfs/dbraw/zinc/04/26/95/247042695.db2.gz QIKDYDGNCQDDDR-OALUTQOASA-N 2 2 337.423 3.231 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1C ZINC000377262916 169003560 /nfs/dbraw/zinc/00/35/60/169003560.db2.gz SVCVKLNWYDDWKM-OAHLLOKOSA-N 2 2 346.500 3.225 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1C ZINC000377262916 169003563 /nfs/dbraw/zinc/00/35/63/169003563.db2.gz SVCVKLNWYDDWKM-OAHLLOKOSA-N 2 2 346.500 3.225 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000377658305 169056392 /nfs/dbraw/zinc/05/63/92/169056392.db2.gz ZTNASKCBZCLEQO-GOSISDBHSA-N 2 2 330.403 3.106 20 0 EGADLP COCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C)o1 ZINC000378494718 169130751 /nfs/dbraw/zinc/13/07/51/169130751.db2.gz JQXTZIVFHCOPKW-IBGZPJMESA-N 2 2 343.471 3.315 20 0 EGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OC(F)F)c1 ZINC000092648471 218155897 /nfs/dbraw/zinc/15/58/97/218155897.db2.gz WALOGIGEAIGJQX-UHFFFAOYSA-N 2 2 337.370 3.330 20 0 EGADLP CCOC(=O)[C@H](C)[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000093301972 218212213 /nfs/dbraw/zinc/21/22/13/218212213.db2.gz VWQCQRAOMISMEO-AWEZNQCLSA-N 2 2 329.444 3.187 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604577 218233925 /nfs/dbraw/zinc/23/39/25/218233925.db2.gz NTIQDHJNCYJAAZ-KRWDZBQOSA-N 2 2 331.479 3.344 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093604577 218233928 /nfs/dbraw/zinc/23/39/28/218233928.db2.gz NTIQDHJNCYJAAZ-KRWDZBQOSA-N 2 2 331.479 3.344 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCCn3cccn3)CC2)cc1 ZINC000095419828 218359405 /nfs/dbraw/zinc/35/94/05/218359405.db2.gz QOACDRASORJPHA-UHFFFAOYSA-N 2 2 332.879 3.181 20 0 EGADLP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000268775432 252225641 /nfs/dbraw/zinc/22/56/41/252225641.db2.gz GQZWIXXTNPRNDT-GOSISDBHSA-N 2 2 334.423 3.361 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1Cl ZINC000268812423 252264564 /nfs/dbraw/zinc/26/45/64/252264564.db2.gz FFHAHJSXIZKXCK-LBPRGKRZSA-N 2 2 331.287 3.491 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000268814079 252265716 /nfs/dbraw/zinc/26/57/16/252265716.db2.gz LZJXYQOZJOGLMW-HNNXBMFYSA-N 2 2 332.879 3.179 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000268844702 252292641 /nfs/dbraw/zinc/29/26/41/252292641.db2.gz OOCPEVPWOIUSNJ-APWZRJJASA-N 2 2 338.499 3.181 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H](C)C1 ZINC000268844702 252292645 /nfs/dbraw/zinc/29/26/45/252292645.db2.gz OOCPEVPWOIUSNJ-APWZRJJASA-N 2 2 338.499 3.181 20 0 EGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268846196 252293756 /nfs/dbraw/zinc/29/37/56/252293756.db2.gz BONYGGUHHCSQFI-HZPDHXFCSA-N 2 2 341.952 3.046 20 0 EGADLP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268846196 252293759 /nfs/dbraw/zinc/29/37/59/252293759.db2.gz BONYGGUHHCSQFI-HZPDHXFCSA-N 2 2 341.952 3.046 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000268854767 252301496 /nfs/dbraw/zinc/30/14/96/252301496.db2.gz CPAXABGGVUPDIT-UHFFFAOYSA-N 3 2 341.499 3.486 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000268854767 252301501 /nfs/dbraw/zinc/30/15/01/252301501.db2.gz CPAXABGGVUPDIT-UHFFFAOYSA-N 3 2 341.499 3.486 20 0 EGADLP CC(C)[NH+]1CCC(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112626882 220359525 /nfs/dbraw/zinc/35/95/25/220359525.db2.gz DHHAMQBEIIVFPD-UHFFFAOYSA-N 2 2 339.439 3.477 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000154833442 224312839 /nfs/dbraw/zinc/31/28/39/224312839.db2.gz SKHAGWMQJLOTJT-CQSZACIVSA-N 2 2 342.430 3.358 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@@H+]1C1CC1 ZINC000119687361 221377860 /nfs/dbraw/zinc/37/78/60/221377860.db2.gz XMVAAJCFNWKXGN-GDBMZVCRSA-N 2 2 342.512 3.353 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C[N@H+]1C1CC1 ZINC000119687361 221377863 /nfs/dbraw/zinc/37/78/63/221377863.db2.gz XMVAAJCFNWKXGN-GDBMZVCRSA-N 2 2 342.512 3.353 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338060237 141085498 /nfs/dbraw/zinc/08/54/98/141085498.db2.gz OITWGXJDGOESDF-MCIONIFRSA-N 2 2 330.407 3.211 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477556 141203084 /nfs/dbraw/zinc/20/30/84/141203084.db2.gz DLHJLLLALVHSKB-YWZLYKJASA-N 2 2 325.431 3.384 20 0 EGADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000346477556 141203085 /nfs/dbraw/zinc/20/30/85/141203085.db2.gz DLHJLLLALVHSKB-YWZLYKJASA-N 2 2 325.431 3.384 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cscc3Br)CC[C@H]21 ZINC000347912162 141215577 /nfs/dbraw/zinc/21/55/77/141215577.db2.gz MDQZQYFLUJJLJF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cscc3Br)CC[C@H]21 ZINC000347912162 141215578 /nfs/dbraw/zinc/21/55/78/141215578.db2.gz MDQZQYFLUJJLJF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cscc3Br)CC[C@H]21 ZINC000347912162 141215579 /nfs/dbraw/zinc/21/55/79/141215579.db2.gz MDQZQYFLUJJLJF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cscc3Br)CC[C@H]21 ZINC000347912162 141215580 /nfs/dbraw/zinc/21/55/80/141215580.db2.gz MDQZQYFLUJJLJF-SMDDNHRTSA-N 2 2 329.307 3.427 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000347991713 141229690 /nfs/dbraw/zinc/22/96/90/141229690.db2.gz BLMCZFGDPLIZCL-MRXNPFEDSA-N 2 2 337.552 3.124 20 0 EGADLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cn1 ZINC000352971308 141280653 /nfs/dbraw/zinc/28/06/53/141280653.db2.gz BUYVWRJZPXKKMN-SJORKVTESA-N 2 2 343.450 3.319 20 0 EGADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000353357190 141294507 /nfs/dbraw/zinc/29/45/07/141294507.db2.gz WXARPIZGROXQIA-BWPNAZKDSA-N 2 2 348.531 3.224 20 0 EGADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)C[C@H](C)O1 ZINC000353357190 141294509 /nfs/dbraw/zinc/29/45/09/141294509.db2.gz WXARPIZGROXQIA-BWPNAZKDSA-N 2 2 348.531 3.224 20 0 EGADLP C[N@H+](Cc1conc1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353468375 141303837 /nfs/dbraw/zinc/30/38/37/141303837.db2.gz ABNVYIBFKMUBJT-DFNIBXOVSA-N 2 2 325.456 3.322 20 0 EGADLP C[N@@H+](Cc1conc1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353468375 141303838 /nfs/dbraw/zinc/30/38/38/141303838.db2.gz ABNVYIBFKMUBJT-DFNIBXOVSA-N 2 2 325.456 3.322 20 0 EGADLP C[NH+](Cc1conc1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353468375 141303839 /nfs/dbraw/zinc/30/38/39/141303839.db2.gz ABNVYIBFKMUBJT-DFNIBXOVSA-N 2 2 325.456 3.322 20 0 EGADLP C[NH+](Cc1conc1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353468375 141303840 /nfs/dbraw/zinc/30/38/40/141303840.db2.gz ABNVYIBFKMUBJT-DFNIBXOVSA-N 2 2 325.456 3.322 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)cc2n1C ZINC000354605308 141313905 /nfs/dbraw/zinc/31/39/05/141313905.db2.gz QXHPPXRRGNYPND-HNNXBMFYSA-N 2 2 342.487 3.266 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2n1C ZINC000354605308 141313907 /nfs/dbraw/zinc/31/39/07/141313907.db2.gz QXHPPXRRGNYPND-HNNXBMFYSA-N 2 2 342.487 3.266 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000356838370 141351738 /nfs/dbraw/zinc/35/17/38/141351738.db2.gz DMHVEYMAPORTDN-UHFFFAOYSA-N 2 2 343.393 3.151 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000178410475 144070870 /nfs/dbraw/zinc/07/08/70/144070870.db2.gz BRJSJKVOCPNVIS-OAHLLOKOSA-N 2 2 345.466 3.241 20 0 EGADLP Cn1cc([C@@H]([NH2+]CC2(C[NH+](C)C)CCCC2)c2cccc(F)c2)cn1 ZINC000183954792 144083004 /nfs/dbraw/zinc/08/30/04/144083004.db2.gz MFYQINJLHJFLSY-IBGZPJMESA-N 2 2 344.478 3.360 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344624244 144200899 /nfs/dbraw/zinc/20/08/99/144200899.db2.gz IIACVWDDAQDMNZ-LRDDRELGSA-N 2 2 348.441 3.340 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344624244 144200901 /nfs/dbraw/zinc/20/09/01/144200901.db2.gz IIACVWDDAQDMNZ-LRDDRELGSA-N 2 2 348.441 3.340 20 0 EGADLP COc1sc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Br ZINC000344690254 144210452 /nfs/dbraw/zinc/21/04/52/144210452.db2.gz WTOUVKZBINKFAY-VHSXEESVSA-N 2 2 333.295 3.092 20 0 EGADLP COc1sc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000344690254 144210454 /nfs/dbraw/zinc/21/04/54/144210454.db2.gz WTOUVKZBINKFAY-VHSXEESVSA-N 2 2 333.295 3.092 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2c[nH]c3ncccc23)n1-c1ccccc1 ZINC000344833213 144228673 /nfs/dbraw/zinc/22/86/73/144228673.db2.gz DQRCFZDTVJJZFU-UHFFFAOYSA-N 2 2 331.423 3.389 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403307 144264436 /nfs/dbraw/zinc/26/44/36/144264436.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 3 2 329.532 3.315 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403307 144264438 /nfs/dbraw/zinc/26/44/38/144264438.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403307 144264440 /nfs/dbraw/zinc/26/44/40/144264440.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403307 144264442 /nfs/dbraw/zinc/26/44/42/144264442.db2.gz CQCRMFWRNYKIOT-SFTDATJTSA-N 3 2 329.532 3.315 20 0 EGADLP Cc1ccc(Nc2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351475785 144266431 /nfs/dbraw/zinc/26/64/31/144266431.db2.gz JAHCTGIYEHTCPP-RRQGHBQHSA-N 2 2 328.485 3.364 20 0 EGADLP Cc1ccc(Nc2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000351475785 144266432 /nfs/dbraw/zinc/26/64/32/144266432.db2.gz JAHCTGIYEHTCPP-RRQGHBQHSA-N 2 2 328.485 3.364 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516318 144273453 /nfs/dbraw/zinc/27/34/53/144273453.db2.gz XKKYSYQJOYLUCJ-FGZHOGPDSA-N 2 2 336.479 3.241 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH+]1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516318 144273455 /nfs/dbraw/zinc/27/34/55/144273455.db2.gz XKKYSYQJOYLUCJ-FGZHOGPDSA-N 2 2 336.479 3.241 20 0 EGADLP C[NH+](C[C@@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000351516318 144273458 /nfs/dbraw/zinc/27/34/58/144273458.db2.gz XKKYSYQJOYLUCJ-FGZHOGPDSA-N 2 2 336.479 3.241 20 0 EGADLP FC(F)COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351568340 144281181 /nfs/dbraw/zinc/28/11/81/144281181.db2.gz NTPMXJHAGLMTIF-UHFFFAOYSA-N 2 2 344.365 3.004 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865844 144317822 /nfs/dbraw/zinc/31/78/22/144317822.db2.gz PDFPVGSMSOJBDW-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)C1 ZINC000351865844 144317824 /nfs/dbraw/zinc/31/78/24/144317824.db2.gz PDFPVGSMSOJBDW-ZJUUUORDSA-N 2 2 349.219 3.220 20 0 EGADLP Cc1ccc2c(c1)C[N@@H+](C[C@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)C2 ZINC000361600307 144334960 /nfs/dbraw/zinc/33/49/60/144334960.db2.gz GKUSQDRWWQAGAF-IBGZPJMESA-N 2 2 335.451 3.338 20 0 EGADLP Cc1ccc2c(c1)C[N@H+](C[C@H](O)Cn1c[nH+]c3cc(C)c(C)cc31)C2 ZINC000361600307 144334961 /nfs/dbraw/zinc/33/49/61/144334961.db2.gz GKUSQDRWWQAGAF-IBGZPJMESA-N 2 2 335.451 3.338 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2n1C ZINC000373509180 144511095 /nfs/dbraw/zinc/51/10/95/144511095.db2.gz NUIVVMKSCGQQGM-UHFFFAOYSA-N 2 2 340.471 3.019 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000341078285 155144254 /nfs/dbraw/zinc/14/42/54/155144254.db2.gz NBBRNBKOIKOPCQ-IAGOWNOFSA-N 2 2 340.515 3.496 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000341078285 155144255 /nfs/dbraw/zinc/14/42/55/155144255.db2.gz NBBRNBKOIKOPCQ-IAGOWNOFSA-N 2 2 340.515 3.496 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1cccc(Br)c1 ZINC000341130208 155179567 /nfs/dbraw/zinc/17/95/67/155179567.db2.gz RKLFPWVRPDUYPT-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1cccc(Br)c1 ZINC000341130208 155179572 /nfs/dbraw/zinc/17/95/72/155179572.db2.gz RKLFPWVRPDUYPT-UHFFFAOYSA-N 2 2 338.249 3.047 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+]CCCc2[nH+]c3ccccc3n2C)n1 ZINC000341344707 155244499 /nfs/dbraw/zinc/24/44/99/155244499.db2.gz FJNJJVWFTHRWHM-OAHLLOKOSA-N 2 2 338.455 3.130 20 0 EGADLP COc1cccc(CN(CC[NH+](C)C)c2cc[nH+]c(C(C)C)n2)c1 ZINC000189627750 153084707 /nfs/dbraw/zinc/08/47/07/153084707.db2.gz ANJFFPAAKYDTDQ-UHFFFAOYSA-N 2 2 328.460 3.177 20 0 EGADLP C[NH+](CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1F)Cc1ccco1 ZINC000285769346 154008054 /nfs/dbraw/zinc/00/80/54/154008054.db2.gz SRUQIQSXQNCUNL-SFHVURJKSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1F)Cc1ccco1 ZINC000285769346 154008058 /nfs/dbraw/zinc/00/80/58/154008058.db2.gz SRUQIQSXQNCUNL-SFHVURJKSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)c1ccc(F)cc1F ZINC000285769346 154008062 /nfs/dbraw/zinc/00/80/62/154008062.db2.gz SRUQIQSXQNCUNL-SFHVURJKSA-N 2 2 338.398 3.045 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)c1ccc(F)cc1F ZINC000285769346 154008068 /nfs/dbraw/zinc/00/80/68/154008068.db2.gz SRUQIQSXQNCUNL-SFHVURJKSA-N 2 2 338.398 3.045 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(CO)c1 ZINC000305634047 154100045 /nfs/dbraw/zinc/10/00/45/154100045.db2.gz HDKUQCLYQWOSFV-AWEZNQCLSA-N 2 2 325.387 3.355 20 0 EGADLP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000337341637 154294403 /nfs/dbraw/zinc/29/44/03/154294403.db2.gz QPGFJGJMEHHODF-UHFFFAOYSA-N 2 2 339.483 3.407 20 0 EGADLP FC(F)(F)c1cccc([C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983899 156231047 /nfs/dbraw/zinc/23/10/47/156231047.db2.gz OEOPLFZJZRIBJV-BBRMVZONSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1cccc([C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983899 156231052 /nfs/dbraw/zinc/23/10/52/156231052.db2.gz OEOPLFZJZRIBJV-BBRMVZONSA-N 2 2 328.378 3.078 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347003762 156240263 /nfs/dbraw/zinc/24/02/63/156240263.db2.gz MDDPTCXFZRDKKJ-WFASDCNBSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000347003762 156240265 /nfs/dbraw/zinc/24/02/65/156240265.db2.gz MDDPTCXFZRDKKJ-WFASDCNBSA-N 2 2 326.868 3.307 20 0 EGADLP Cc1cccn2c(CN(CC[NH+](C)C)Cc3ccccc3F)c[nH+]c12 ZINC000348898538 156280616 /nfs/dbraw/zinc/28/06/16/156280616.db2.gz XQJLCZUNRXKNQW-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP Cc1cccn2c(CN(CC[NH+](C)C)Cc3cccc(F)c3)c[nH+]c12 ZINC000349036167 156327728 /nfs/dbraw/zinc/32/77/28/156327728.db2.gz NECCTROKZHSCOH-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365641664 157201981 /nfs/dbraw/zinc/20/19/81/157201981.db2.gz UVSAYUJFFKPNAJ-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365641664 157201984 /nfs/dbraw/zinc/20/19/84/157201984.db2.gz UVSAYUJFFKPNAJ-AWEZNQCLSA-N 2 2 346.862 3.200 20 0 EGADLP c1sc(C2CCCC2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069518375 161626021 /nfs/dbraw/zinc/62/60/21/161626021.db2.gz UOWPWDKIWKTZFW-UHFFFAOYSA-N 2 2 349.544 3.345 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1OC(C)C ZINC000093597906 162017372 /nfs/dbraw/zinc/01/73/72/162017372.db2.gz MBKRWJDWKWCZNX-KRWDZBQOSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1OC(C)C ZINC000093597906 162017375 /nfs/dbraw/zinc/01/73/75/162017375.db2.gz MBKRWJDWKWCZNX-KRWDZBQOSA-N 2 2 332.488 3.400 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc(OC2CCCC2)c1 ZINC000093664119 162019587 /nfs/dbraw/zinc/01/95/87/162019587.db2.gz ZGIBZQXIPVCRQQ-IBGZPJMESA-N 2 2 344.499 3.162 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc(OC2CCCC2)c1 ZINC000093664119 162019594 /nfs/dbraw/zinc/01/95/94/162019594.db2.gz ZGIBZQXIPVCRQQ-IBGZPJMESA-N 2 2 344.499 3.162 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000110050729 162118657 /nfs/dbraw/zinc/11/86/57/162118657.db2.gz DNAFTJYUGNODOC-INIZCTEOSA-N 2 2 346.434 3.258 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000110050729 162118661 /nfs/dbraw/zinc/11/86/61/162118661.db2.gz DNAFTJYUGNODOC-INIZCTEOSA-N 2 2 346.434 3.258 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000110050732 162118868 /nfs/dbraw/zinc/11/88/68/162118868.db2.gz DNAFTJYUGNODOC-MRXNPFEDSA-N 2 2 346.434 3.258 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-n1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000110050732 162118870 /nfs/dbraw/zinc/11/88/70/162118870.db2.gz DNAFTJYUGNODOC-MRXNPFEDSA-N 2 2 346.434 3.258 20 0 EGADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000127109521 162322173 /nfs/dbraw/zinc/32/21/73/162322173.db2.gz LAWMUKVJKXYSAX-IBGZPJMESA-N 2 2 329.488 3.127 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000248522157 163011588 /nfs/dbraw/zinc/01/15/88/163011588.db2.gz RUYLARQKZLAENR-RKVPGOIHSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1csc([C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000248522157 163011590 /nfs/dbraw/zinc/01/15/90/163011590.db2.gz RUYLARQKZLAENR-RKVPGOIHSA-N 2 2 344.528 3.450 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000248864715 163040503 /nfs/dbraw/zinc/04/05/03/163040503.db2.gz HKBMIBAJDCQWDN-RLLQIKCJSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000248864715 163040506 /nfs/dbraw/zinc/04/05/06/163040506.db2.gz HKBMIBAJDCQWDN-RLLQIKCJSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[C@H](C)O1 ZINC000338774954 163345359 /nfs/dbraw/zinc/34/53/59/163345359.db2.gz MHTHCCKOABDUQK-GQUPQBGVSA-N 2 2 345.531 3.475 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[C@H](C)O1 ZINC000338774954 163345360 /nfs/dbraw/zinc/34/53/60/163345360.db2.gz MHTHCCKOABDUQK-GQUPQBGVSA-N 2 2 345.531 3.475 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338919304 163386889 /nfs/dbraw/zinc/38/68/89/163386889.db2.gz FJRNLSCRMQHTFQ-UHFFFAOYSA-N 2 2 341.503 3.189 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338919304 163386893 /nfs/dbraw/zinc/38/68/93/163386893.db2.gz FJRNLSCRMQHTFQ-UHFFFAOYSA-N 2 2 341.503 3.189 20 0 EGADLP CCc1ccc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)o2)cc1 ZINC000343694296 164014477 /nfs/dbraw/zinc/01/44/77/164014477.db2.gz OPWWKXVVBFTGAJ-SFHVURJKSA-N 2 2 328.456 3.055 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000344088324 164100581 /nfs/dbraw/zinc/10/05/81/164100581.db2.gz QFGOCGCEYUEZRD-KRWDZBQOSA-N 2 2 345.531 3.134 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000344088324 164100582 /nfs/dbraw/zinc/10/05/82/164100582.db2.gz QFGOCGCEYUEZRD-KRWDZBQOSA-N 2 2 345.531 3.134 20 0 EGADLP CCCCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(C)C ZINC000344166234 164118557 /nfs/dbraw/zinc/11/85/57/164118557.db2.gz KHGSFXFTZDZAGB-QZTJIDSGSA-N 2 2 340.552 3.449 20 0 EGADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1csc(C(C)C)n1 ZINC000344168643 164119233 /nfs/dbraw/zinc/11/92/33/164119233.db2.gz NULHHAQEFBGXAQ-UHFFFAOYSA-N 2 2 338.565 3.116 20 0 EGADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1csc(C(C)C)n1 ZINC000344168643 164119236 /nfs/dbraw/zinc/11/92/36/164119236.db2.gz NULHHAQEFBGXAQ-UHFFFAOYSA-N 2 2 338.565 3.116 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000344210643 164128189 /nfs/dbraw/zinc/12/81/89/164128189.db2.gz CSCZFCQAYBPKRC-GOSISDBHSA-N 2 2 346.446 3.268 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000344285110 164145969 /nfs/dbraw/zinc/14/59/69/164145969.db2.gz KZXOAMSMRNTPPY-UHFFFAOYSA-N 2 2 348.450 3.172 20 0 EGADLP C[C@H]1[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@@H+]1C ZINC000345283158 164203033 /nfs/dbraw/zinc/20/30/33/164203033.db2.gz SVQGNUDVFYFWOX-KSSFIOAISA-N 2 2 340.427 3.478 20 0 EGADLP C[C@H]1[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC[N@H+]1C ZINC000345283158 164203035 /nfs/dbraw/zinc/20/30/35/164203035.db2.gz SVQGNUDVFYFWOX-KSSFIOAISA-N 2 2 340.427 3.478 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1nc3c(s1)C[C@H](C)CC3)CCC2 ZINC000345835296 164275533 /nfs/dbraw/zinc/27/55/33/164275533.db2.gz CTBZXPOUDRGMIC-OCCSQVGLSA-N 2 2 330.501 3.440 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000354862961 166050432 /nfs/dbraw/zinc/05/04/32/166050432.db2.gz XPRXWFUZNAZRFQ-RTWAWAEBSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[N@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000354862961 166050434 /nfs/dbraw/zinc/05/04/34/166050434.db2.gz XPRXWFUZNAZRFQ-RTWAWAEBSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000354862961 166050435 /nfs/dbraw/zinc/05/04/35/166050435.db2.gz XPRXWFUZNAZRFQ-RTWAWAEBSA-N 2 2 338.499 3.342 20 0 EGADLP Cc1ccc(CCC[NH+](C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000354862961 166050437 /nfs/dbraw/zinc/05/04/37/166050437.db2.gz XPRXWFUZNAZRFQ-RTWAWAEBSA-N 2 2 338.499 3.342 20 0 EGADLP C[C@H]1[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@@H+]1C ZINC000346345675 164372632 /nfs/dbraw/zinc/37/26/32/164372632.db2.gz WZUSVDVKQHMMFR-KSSFIOAISA-N 2 2 349.906 3.017 20 0 EGADLP C[C@H]1[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCC[N@H+]1C ZINC000346345675 164372633 /nfs/dbraw/zinc/37/26/33/164372633.db2.gz WZUSVDVKQHMMFR-KSSFIOAISA-N 2 2 349.906 3.017 20 0 EGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCCO1 ZINC000346557041 164396180 /nfs/dbraw/zinc/39/61/80/164396180.db2.gz KTRGKPKGRMYGSN-SCTDSRPQSA-N 2 2 332.488 3.044 20 0 EGADLP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354870197 166052062 /nfs/dbraw/zinc/05/20/62/166052062.db2.gz YTKSXDPBLJJKOW-ROUUACIJSA-N 2 2 328.460 3.049 20 0 EGADLP Cc1cccn2c(CN3CC[NH+](Cc4ccccc4C)CC3)c[nH+]c12 ZINC000349584553 164899751 /nfs/dbraw/zinc/89/97/51/164899751.db2.gz DRKFLXOFUKGEIL-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP CCc1cc(N(CC)CCC[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000350671241 165066397 /nfs/dbraw/zinc/06/63/97/165066397.db2.gz VRMICAXGQPQPFE-UHFFFAOYSA-N 2 2 339.487 3.413 20 0 EGADLP C[C@@H]1CCC[C@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940840 165084242 /nfs/dbraw/zinc/08/42/42/165084242.db2.gz NCLCPKWGXBFQCK-MOPGFXCFSA-N 3 2 330.520 3.010 20 0 EGADLP C[C@H]1CN(Cc2c(F)cccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355027735 166089111 /nfs/dbraw/zinc/08/91/11/166089111.db2.gz DEDDDRKEUGAEGP-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP C[C@H]1CN(Cc2c(F)cccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355027735 166089115 /nfs/dbraw/zinc/08/91/15/166089115.db2.gz DEDDDRKEUGAEGP-AWEZNQCLSA-N 2 2 339.886 3.079 20 0 EGADLP CCOc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000352355346 165359766 /nfs/dbraw/zinc/35/97/66/165359766.db2.gz BVFOEUGOQZULRW-UHFFFAOYSA-N 2 2 327.428 3.227 20 0 EGADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355124620 166113023 /nfs/dbraw/zinc/11/30/23/166113023.db2.gz QXDUUICTVNIIFY-QUCCMNQESA-N 3 2 330.520 3.152 20 0 EGADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]CCCc3ccc(C)[nH+]c3)n2)c1 ZINC000355138544 166115618 /nfs/dbraw/zinc/11/56/18/166115618.db2.gz VKSVEVNKMLDUFN-HNNXBMFYSA-N 2 2 336.443 3.162 20 0 EGADLP CC[NH+](CC)CC1CCN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000355373838 166178774 /nfs/dbraw/zinc/17/87/74/166178774.db2.gz UHMUAKWRASXHNV-UHFFFAOYSA-N 2 2 342.487 3.076 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000355449935 166204289 /nfs/dbraw/zinc/20/42/89/166204289.db2.gz WKIPBSAOSXIPGE-KRWDZBQOSA-N 2 2 342.487 3.266 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000355449935 166204290 /nfs/dbraw/zinc/20/42/90/166204290.db2.gz WKIPBSAOSXIPGE-KRWDZBQOSA-N 2 2 342.487 3.266 20 0 EGADLP Cn1cc[nH+]c1[C@@H](NCC1(C[NH+](C)C)CCCC1)c1cccc(F)c1 ZINC000355503500 166223608 /nfs/dbraw/zinc/22/36/08/166223608.db2.gz BKDUVJIKLXNVHK-SFHVURJKSA-N 2 2 344.478 3.360 20 0 EGADLP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667703 166279045 /nfs/dbraw/zinc/27/90/45/166279045.db2.gz YJEVUASWZCLGLI-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667703 166279047 /nfs/dbraw/zinc/27/90/47/166279047.db2.gz YJEVUASWZCLGLI-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667703 166279048 /nfs/dbraw/zinc/27/90/48/166279048.db2.gz YJEVUASWZCLGLI-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667703 166279050 /nfs/dbraw/zinc/27/90/50/166279050.db2.gz YJEVUASWZCLGLI-NQIIRXRSSA-N 2 2 346.515 3.024 20 0 EGADLP CC[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+](CC)CC ZINC000359253731 167107615 /nfs/dbraw/zinc/10/76/15/167107615.db2.gz ACQNYESOAGHXNX-OAHLLOKOSA-N 2 2 338.521 3.188 20 0 EGADLP CCc1ccccc1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359312425 167122616 /nfs/dbraw/zinc/12/26/16/167122616.db2.gz VAYMTCBORVEDKC-UHFFFAOYSA-N 2 2 325.456 3.039 20 0 EGADLP CCc1ccccc1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359312425 167122620 /nfs/dbraw/zinc/12/26/20/167122620.db2.gz VAYMTCBORVEDKC-UHFFFAOYSA-N 2 2 325.456 3.039 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)nnn1-c1ccccc1 ZINC000359446185 167158675 /nfs/dbraw/zinc/15/86/75/167158675.db2.gz YRBKTZNBLIYWRZ-IAGOWNOFSA-N 2 2 341.503 3.491 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)nnn1-c1ccccc1 ZINC000359446185 167158676 /nfs/dbraw/zinc/15/86/76/167158676.db2.gz YRBKTZNBLIYWRZ-IAGOWNOFSA-N 2 2 341.503 3.491 20 0 EGADLP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277442 167287931 /nfs/dbraw/zinc/28/79/31/167287931.db2.gz BQOFOJYNZQFFHP-HNNXBMFYSA-N 2 2 332.879 3.163 20 0 EGADLP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277442 167287932 /nfs/dbraw/zinc/28/79/32/167287932.db2.gz BQOFOJYNZQFFHP-HNNXBMFYSA-N 2 2 332.879 3.163 20 0 EGADLP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277455 167288181 /nfs/dbraw/zinc/28/81/81/167288181.db2.gz BQOFOJYNZQFFHP-OAHLLOKOSA-N 2 2 332.879 3.163 20 0 EGADLP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000360277455 167288182 /nfs/dbraw/zinc/28/81/82/167288182.db2.gz BQOFOJYNZQFFHP-OAHLLOKOSA-N 2 2 332.879 3.163 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360561453 167358930 /nfs/dbraw/zinc/35/89/30/167358930.db2.gz IZZPEUNMBBUDNT-NRFANRHFSA-N 2 2 335.451 3.124 20 0 EGADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360561453 167358935 /nfs/dbraw/zinc/35/89/35/167358935.db2.gz IZZPEUNMBBUDNT-NRFANRHFSA-N 2 2 335.451 3.124 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000365102275 168021568 /nfs/dbraw/zinc/02/15/68/168021568.db2.gz VVAFIOBFCSVJAS-KRWDZBQOSA-N 2 2 333.524 3.165 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000365102275 168021569 /nfs/dbraw/zinc/02/15/69/168021569.db2.gz VVAFIOBFCSVJAS-KRWDZBQOSA-N 2 2 333.524 3.165 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000365718569 168038563 /nfs/dbraw/zinc/03/85/63/168038563.db2.gz QBUCRHMGRXFRIG-OAHLLOKOSA-N 2 2 342.439 3.381 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)n1 ZINC000366092498 168081627 /nfs/dbraw/zinc/08/16/27/168081627.db2.gz NKXVHXYRYQOFBV-GPANFISMSA-N 2 2 334.508 3.368 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)n1 ZINC000366092498 168081628 /nfs/dbraw/zinc/08/16/28/168081628.db2.gz NKXVHXYRYQOFBV-GPANFISMSA-N 2 2 334.508 3.368 20 0 EGADLP CC(C)n1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967106 168290473 /nfs/dbraw/zinc/29/04/73/168290473.db2.gz SYQNJDFTKJJUMP-LEWJYISDSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967106 168290477 /nfs/dbraw/zinc/29/04/77/168290477.db2.gz SYQNJDFTKJJUMP-LEWJYISDSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967106 168290479 /nfs/dbraw/zinc/29/04/79/168290479.db2.gz SYQNJDFTKJJUMP-LEWJYISDSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367967106 168290480 /nfs/dbraw/zinc/29/04/80/168290480.db2.gz SYQNJDFTKJJUMP-LEWJYISDSA-N 2 2 338.499 3.418 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000368020545 168298294 /nfs/dbraw/zinc/29/82/94/168298294.db2.gz WJBFUMZATMQXBW-UHFFFAOYSA-N 2 2 337.467 3.171 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000368020545 168298296 /nfs/dbraw/zinc/29/82/96/168298296.db2.gz WJBFUMZATMQXBW-UHFFFAOYSA-N 2 2 337.467 3.171 20 0 EGADLP Cc1ccc(CN2CC[C@@H]([NH2+]CCCc3c[nH+]ccc3C)C2=O)cc1 ZINC000368051839 168303850 /nfs/dbraw/zinc/30/38/50/168303850.db2.gz QJORYWYDUFTAEE-HXUWFJFHSA-N 2 2 337.467 3.022 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000368055062 168305151 /nfs/dbraw/zinc/30/51/51/168305151.db2.gz GSTWWOXGQWNTHF-UHFFFAOYSA-N 3 2 328.460 3.219 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000158554074 225041064 /nfs/dbraw/zinc/04/10/64/225041064.db2.gz ODVMJPVCHNYNHQ-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000158554074 225041067 /nfs/dbraw/zinc/04/10/67/225041067.db2.gz ODVMJPVCHNYNHQ-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000158554074 225041070 /nfs/dbraw/zinc/04/10/70/225041070.db2.gz ODVMJPVCHNYNHQ-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000158554074 225041075 /nfs/dbraw/zinc/04/10/75/225041075.db2.gz ODVMJPVCHNYNHQ-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP c1nc2ccccc2n1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124000512 222363440 /nfs/dbraw/zinc/36/34/40/222363440.db2.gz WXWHLARCHFSKKL-UHFFFAOYSA-N 2 2 335.455 3.080 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@@H+]1C1CC1 ZINC000178103041 265294289 /nfs/dbraw/zinc/29/42/89/265294289.db2.gz ZRGLOEIBYMOUGJ-PBHICJAKSA-N 2 2 330.472 3.357 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@H+]1C1CC1 ZINC000178103041 265294294 /nfs/dbraw/zinc/29/42/94/265294294.db2.gz ZRGLOEIBYMOUGJ-PBHICJAKSA-N 2 2 330.472 3.357 20 0 EGADLP Oc1cc(F)cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000185462067 265492616 /nfs/dbraw/zinc/49/26/16/265492616.db2.gz ROFLTLYRLLDSJQ-UHFFFAOYSA-N 2 2 325.387 3.108 20 0 EGADLP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](C)C[NH+]3CCOCC3)o2)cc1 ZINC000237578774 266238493 /nfs/dbraw/zinc/23/84/93/266238493.db2.gz HLMWRERXCGHMOM-QGZVFWFLSA-N 2 2 328.456 3.313 20 0 EGADLP Clc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000265985643 266272453 /nfs/dbraw/zinc/27/24/53/266272453.db2.gz DBBSRUZTNIMTFT-HNNXBMFYSA-N 2 2 345.874 3.042 20 0 EGADLP Clc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000265985643 266272454 /nfs/dbraw/zinc/27/24/54/266272454.db2.gz DBBSRUZTNIMTFT-HNNXBMFYSA-N 2 2 345.874 3.042 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349904 266281151 /nfs/dbraw/zinc/28/11/51/266281151.db2.gz FRCRNVRIGBKXNN-XJKSGUPXSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Cl)c1 ZINC000267349904 266281153 /nfs/dbraw/zinc/28/11/53/266281153.db2.gz FRCRNVRIGBKXNN-XJKSGUPXSA-N 2 2 344.846 3.048 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000273881377 267132481 /nfs/dbraw/zinc/13/24/81/267132481.db2.gz RFJWVEJRRJQPAD-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC000273881377 267132483 /nfs/dbraw/zinc/13/24/83/267132483.db2.gz RFJWVEJRRJQPAD-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]c2c1 ZINC000274013884 267164667 /nfs/dbraw/zinc/16/46/67/267164667.db2.gz COWKOGQSHZTTPL-QGZVFWFLSA-N 2 2 325.456 3.010 20 0 EGADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(Cl)cc1 ZINC000266747251 275029072 /nfs/dbraw/zinc/02/90/72/275029072.db2.gz NEQXPELPFCVIEY-MRXNPFEDSA-N 2 2 344.846 3.048 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000278628771 275260521 /nfs/dbraw/zinc/26/05/21/275260521.db2.gz HZPLRQJFFMUFGM-UHFFFAOYSA-N 2 2 336.439 3.320 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000278739078 275270484 /nfs/dbraw/zinc/27/04/84/275270484.db2.gz WINOFSLEJCVPKT-LJQANCHMSA-N 2 2 340.467 3.227 20 0 EGADLP c1cc2c(s1)CC[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000278771721 275273390 /nfs/dbraw/zinc/27/33/90/275273390.db2.gz YSKAVXJJSLHMIA-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)CC[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000278771721 275273392 /nfs/dbraw/zinc/27/33/92/275273392.db2.gz YSKAVXJJSLHMIA-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)CC[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000278771721 275273393 /nfs/dbraw/zinc/27/33/93/275273393.db2.gz YSKAVXJJSLHMIA-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP c1cc2c(s1)CC[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000278771721 275273395 /nfs/dbraw/zinc/27/33/95/275273395.db2.gz YSKAVXJJSLHMIA-LJQANCHMSA-N 2 2 342.508 3.397 20 0 EGADLP FC(F)n1ccnc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278779377 275274079 /nfs/dbraw/zinc/27/40/79/275274079.db2.gz DAGSWEDVVFKIKE-UHFFFAOYSA-N 2 2 335.402 3.191 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278886863 275284386 /nfs/dbraw/zinc/28/43/86/275284386.db2.gz NUFRUAMMMHSAMJ-UHFFFAOYSA-N 2 2 347.894 3.294 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@@H](c3c[nH+]cn3C)C1)CCC2 ZINC000278888359 275284677 /nfs/dbraw/zinc/28/46/77/275284677.db2.gz DKDQOGKZHIRICT-WOSRLPQWSA-N 2 2 346.500 3.326 20 0 EGADLP CC(=O)Nc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279628761 275345255 /nfs/dbraw/zinc/34/52/55/275345255.db2.gz HQILQTZKCUMCTH-OYRHEFFESA-N 2 2 349.478 3.209 20 0 EGADLP CC(=O)Nc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279628761 275345256 /nfs/dbraw/zinc/34/52/56/275345256.db2.gz HQILQTZKCUMCTH-OYRHEFFESA-N 2 2 349.478 3.209 20 0 EGADLP CC(=O)Nc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279628761 275345258 /nfs/dbraw/zinc/34/52/58/275345258.db2.gz HQILQTZKCUMCTH-OYRHEFFESA-N 2 2 349.478 3.209 20 0 EGADLP CC(=O)Nc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279628761 275345260 /nfs/dbraw/zinc/34/52/60/275345260.db2.gz HQILQTZKCUMCTH-OYRHEFFESA-N 2 2 349.478 3.209 20 0 EGADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000279714489 275352410 /nfs/dbraw/zinc/35/24/10/275352410.db2.gz LILLRGXTDFFRGK-UTKZUKDTSA-N 2 2 339.483 3.412 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000338012363 275372138 /nfs/dbraw/zinc/37/21/38/275372138.db2.gz LXUAQNHNUNIYLM-ZFWWWQNUSA-N 2 2 332.245 3.238 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cn1 ZINC000279932910 275377919 /nfs/dbraw/zinc/37/79/19/275377919.db2.gz ATVHCGVLNXXILL-ZDUSSCGKSA-N 2 2 326.282 3.371 20 0 EGADLP CC(C)n1nccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000279956714 275381734 /nfs/dbraw/zinc/38/17/34/275381734.db2.gz OWXLCNJNSZXDRJ-UHFFFAOYSA-N 2 2 326.488 3.261 20 0 EGADLP C[NH+](C)CC1(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CCC1 ZINC000281525250 275556092 /nfs/dbraw/zinc/55/60/92/275556092.db2.gz YIIWKIOFZLIURJ-UHFFFAOYSA-N 2 2 340.427 3.480 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC(C(F)F)CC3)[nH+]c2)C1 ZINC000282383726 275628027 /nfs/dbraw/zinc/62/80/27/275628027.db2.gz QULQSYMTESYBFI-ZBCRRDGASA-N 2 2 338.446 3.458 20 0 EGADLP CC[C@@]([NH2+]CCCn1cc[nH+]c1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000285514994 275884329 /nfs/dbraw/zinc/88/43/29/275884329.db2.gz KARACTLYIVVTNL-SFHVURJKSA-N 2 2 349.862 3.303 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1nncn1C ZINC000348714423 276022531 /nfs/dbraw/zinc/02/25/31/276022531.db2.gz YQUXUCXKNHSZCL-NXHRZFHOSA-N 2 2 333.524 3.145 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000343544904 276055982 /nfs/dbraw/zinc/05/59/82/276055982.db2.gz YDYLIUMCHOZRMK-YLJYHZDGSA-N 2 2 343.515 3.109 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000343544904 276055984 /nfs/dbraw/zinc/05/59/84/276055984.db2.gz YDYLIUMCHOZRMK-YLJYHZDGSA-N 2 2 343.515 3.109 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000287545410 276131351 /nfs/dbraw/zinc/13/13/51/276131351.db2.gz ONAJBLKVMAKLST-UHFFFAOYSA-N 2 2 340.427 3.477 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000287918759 276169227 /nfs/dbraw/zinc/16/92/27/276169227.db2.gz OYYYMPVXUMTPSW-UHFFFAOYSA-N 2 2 342.487 3.281 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000287918759 276169228 /nfs/dbraw/zinc/16/92/28/276169228.db2.gz OYYYMPVXUMTPSW-UHFFFAOYSA-N 2 2 342.487 3.281 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1O ZINC000288473137 276217820 /nfs/dbraw/zinc/21/78/20/276217820.db2.gz PDNJDTFNWYCKNZ-CRAIPNDOSA-N 2 2 326.440 3.153 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000289259588 276312564 /nfs/dbraw/zinc/31/25/64/276312564.db2.gz ODZQQGWNMGCBNL-LMMKCTJWSA-N 2 2 341.503 3.242 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000289348022 276325669 /nfs/dbraw/zinc/32/56/69/276325669.db2.gz GUORWRCTCIYQDD-UHFFFAOYSA-N 2 2 336.386 3.105 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000289358997 276327270 /nfs/dbraw/zinc/32/72/70/276327270.db2.gz INIVTPCEKSSGAZ-QGZVFWFLSA-N 2 2 348.393 3.245 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289526056 276352979 /nfs/dbraw/zinc/35/29/79/276352979.db2.gz BNFDUEGGYMZQMM-UHFFFAOYSA-N 2 2 346.438 3.024 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289545500 276355901 /nfs/dbraw/zinc/35/59/01/276355901.db2.gz CWMBGDDJNRNAMP-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289545500 276355903 /nfs/dbraw/zinc/35/59/03/276355903.db2.gz CWMBGDDJNRNAMP-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289545500 276355904 /nfs/dbraw/zinc/35/59/04/276355904.db2.gz CWMBGDDJNRNAMP-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289545500 276355906 /nfs/dbraw/zinc/35/59/06/276355906.db2.gz CWMBGDDJNRNAMP-MLGOLLRUSA-N 2 2 330.394 3.153 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000289576236 276360376 /nfs/dbraw/zinc/36/03/76/276360376.db2.gz AEMOQPFZHZZEES-MSOLQXFVSA-N 2 2 325.412 3.447 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289861604 276407855 /nfs/dbraw/zinc/40/78/55/276407855.db2.gz RRKXRLWPIZOBIZ-GOSISDBHSA-N 2 2 340.895 3.118 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCCNc1cccc[nH+]1 ZINC000290780689 276540431 /nfs/dbraw/zinc/54/04/31/276540431.db2.gz TVKKELHFCFAGKF-OAHLLOKOSA-N 2 2 336.480 3.167 20 0 EGADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000070395700 278540271 /nfs/dbraw/zinc/54/02/71/278540271.db2.gz MCCLHYPFDBLLPZ-UHFFFAOYSA-N 2 2 326.282 3.056 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004496 279135866 /nfs/dbraw/zinc/13/58/66/279135866.db2.gz UTWDBQHVPHGQFQ-QUCCMNQESA-N 2 2 345.531 3.260 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004496 279135869 /nfs/dbraw/zinc/13/58/69/279135869.db2.gz UTWDBQHVPHGQFQ-QUCCMNQESA-N 2 2 345.531 3.260 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719739 281351287 /nfs/dbraw/zinc/35/12/87/281351287.db2.gz MKZKDVWXXRGBKJ-QZTJIDSGSA-N 2 2 329.488 3.130 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072719739 281351292 /nfs/dbraw/zinc/35/12/92/281351292.db2.gz MKZKDVWXXRGBKJ-QZTJIDSGSA-N 2 2 329.488 3.130 20 0 EGADLP C[NH+](C)CC[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)(C)C ZINC000116566767 289181847 /nfs/dbraw/zinc/18/18/47/289181847.db2.gz JNYODLUJFZLQIA-GJZGRUSLSA-N 2 2 335.496 3.013 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000119892538 307501088 /nfs/dbraw/zinc/50/10/88/307501088.db2.gz YSRYKGKQUBQUPJ-KFWWJZLASA-N 2 2 340.895 3.499 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414088083 309060310 /nfs/dbraw/zinc/06/03/10/309060310.db2.gz BPKMWXCDTFLZHG-ZWOKBUDYSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414088083 309060311 /nfs/dbraw/zinc/06/03/11/309060311.db2.gz BPKMWXCDTFLZHG-ZWOKBUDYSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2n(n1)CCC2 ZINC000414063293 309058583 /nfs/dbraw/zinc/05/85/83/309058583.db2.gz DPMRNSTXKXCKMW-CYBMUJFWSA-N 2 2 325.391 3.005 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000414069060 309058936 /nfs/dbraw/zinc/05/89/36/309058936.db2.gz RFZLRQHJFGPVAP-MRXNPFEDSA-N 2 2 336.439 3.056 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124312 309062443 /nfs/dbraw/zinc/06/24/43/309062443.db2.gz BZCXBBCYYCDABJ-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccn(C)n1 ZINC000414124312 309062444 /nfs/dbraw/zinc/06/24/44/309062444.db2.gz BZCXBBCYYCDABJ-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000136499182 307712320 /nfs/dbraw/zinc/71/23/20/307712320.db2.gz LBLZVKKEIJIIGQ-ZHACJKMWSA-N 2 2 340.471 3.074 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000414260175 309069245 /nfs/dbraw/zinc/06/92/45/309069245.db2.gz MWDNMVOKTDNRAB-UHFFFAOYSA-N 2 2 330.451 3.282 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1Cl ZINC000158896428 307865528 /nfs/dbraw/zinc/86/55/28/307865528.db2.gz GVYDZEOAWNFACZ-DZGCQCFKSA-N 2 2 328.859 3.223 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2OC2CCCC2)n1C ZINC000414283275 309070491 /nfs/dbraw/zinc/07/04/91/309070491.db2.gz FGXFNZYELAJLOA-UHFFFAOYSA-N 2 2 328.460 3.097 20 0 EGADLP CC(C)CCOc1ccccc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414345284 309074254 /nfs/dbraw/zinc/07/42/54/309074254.db2.gz OSNIANCOMLNFEO-UHFFFAOYSA-N 2 2 330.476 3.201 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccoc3C)cc2)CC1 ZINC000414310271 309072109 /nfs/dbraw/zinc/07/21/09/309072109.db2.gz KXDKRMMVULOGET-UHFFFAOYSA-N 2 2 327.472 3.015 20 0 EGADLP COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414367199 309075669 /nfs/dbraw/zinc/07/56/69/309075669.db2.gz RJVHOQNKYFHADA-KRWDZBQOSA-N 2 2 330.476 3.372 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000414438879 309080088 /nfs/dbraw/zinc/08/00/88/309080088.db2.gz RXCCVRZUXPNMLE-SFHVURJKSA-N 2 2 330.451 3.236 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000414438879 309080089 /nfs/dbraw/zinc/08/00/89/309080089.db2.gz RXCCVRZUXPNMLE-SFHVURJKSA-N 2 2 330.451 3.236 20 0 EGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)C(C)C ZINC000292859734 308073183 /nfs/dbraw/zinc/07/31/83/308073183.db2.gz GSESPEINIJFVGO-LJQANCHMSA-N 2 2 345.487 3.191 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)C(C)C ZINC000292859734 308073185 /nfs/dbraw/zinc/07/31/85/308073185.db2.gz GSESPEINIJFVGO-LJQANCHMSA-N 2 2 345.487 3.191 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293081477 308097553 /nfs/dbraw/zinc/09/75/53/308097553.db2.gz WHNYCWGUZPSZIK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293081477 308097554 /nfs/dbraw/zinc/09/75/54/308097554.db2.gz WHNYCWGUZPSZIK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293081477 308097555 /nfs/dbraw/zinc/09/75/55/308097555.db2.gz WHNYCWGUZPSZIK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293081477 308097556 /nfs/dbraw/zinc/09/75/56/308097556.db2.gz WHNYCWGUZPSZIK-FQEVSTJZSA-N 2 2 329.488 3.166 20 0 EGADLP OCC1(c2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000293280450 308116430 /nfs/dbraw/zinc/11/64/30/308116430.db2.gz JTPMEUVJXMUFLR-UHFFFAOYSA-N 2 2 347.462 3.398 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1OC(F)F ZINC000293587335 308144377 /nfs/dbraw/zinc/14/43/77/308144377.db2.gz IEPJAMXGOAQJAK-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1OC(F)F ZINC000293587335 308144379 /nfs/dbraw/zinc/14/43/79/308144379.db2.gz IEPJAMXGOAQJAK-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1OC(F)F ZINC000293587335 308144380 /nfs/dbraw/zinc/14/43/80/308144380.db2.gz IEPJAMXGOAQJAK-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1OC(F)F ZINC000293587335 308144382 /nfs/dbraw/zinc/14/43/82/308144382.db2.gz IEPJAMXGOAQJAK-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP O[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1cc2ccccc2o1 ZINC000293623435 308147055 /nfs/dbraw/zinc/14/70/55/308147055.db2.gz WIDUZVKXIQCARS-GOSISDBHSA-N 2 2 328.456 3.417 20 0 EGADLP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670237 308151331 /nfs/dbraw/zinc/15/13/31/308151331.db2.gz JRXZUESHZBQLPX-MAUKXSAKSA-N 2 2 345.466 3.135 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000293670237 308151332 /nfs/dbraw/zinc/15/13/32/308151332.db2.gz JRXZUESHZBQLPX-MAUKXSAKSA-N 2 2 345.466 3.135 20 0 EGADLP C[C@@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCCCC1 ZINC000293822899 308165313 /nfs/dbraw/zinc/16/53/13/308165313.db2.gz DHFFUUXELKULET-FUHWJXTLSA-N 2 2 340.471 3.222 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000293880449 308170548 /nfs/dbraw/zinc/17/05/48/308170548.db2.gz VKQTUHOUUHNIOH-XZSMBWTPSA-N 2 2 343.515 3.076 20 0 EGADLP CC(=O)NC1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000293880449 308170550 /nfs/dbraw/zinc/17/05/50/308170550.db2.gz VKQTUHOUUHNIOH-XZSMBWTPSA-N 2 2 343.515 3.076 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057097 308186598 /nfs/dbraw/zinc/18/65/98/308186598.db2.gz XLLUGSPOPCCNNW-GOSISDBHSA-N 2 2 329.469 3.353 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057097 308186600 /nfs/dbraw/zinc/18/66/00/308186600.db2.gz XLLUGSPOPCCNNW-GOSISDBHSA-N 2 2 329.469 3.353 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057097 308186602 /nfs/dbraw/zinc/18/66/02/308186602.db2.gz XLLUGSPOPCCNNW-GOSISDBHSA-N 2 2 329.469 3.353 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057097 308186604 /nfs/dbraw/zinc/18/66/04/308186604.db2.gz XLLUGSPOPCCNNW-GOSISDBHSA-N 2 2 329.469 3.353 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[NH+](CC)CC)cc1 ZINC000294408583 308218717 /nfs/dbraw/zinc/21/87/17/308218717.db2.gz FGGGALQJYDQJMT-LJQANCHMSA-N 2 2 342.487 3.104 20 0 EGADLP CCc1ccc([C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[NH+](CC)CC)cc1 ZINC000294408583 308218718 /nfs/dbraw/zinc/21/87/18/308218718.db2.gz FGGGALQJYDQJMT-LJQANCHMSA-N 2 2 342.487 3.104 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000294539221 308230355 /nfs/dbraw/zinc/23/03/55/308230355.db2.gz AMNPMDQDGCEQQW-KBXCAEBGSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000294539221 308230357 /nfs/dbraw/zinc/23/03/57/308230357.db2.gz AMNPMDQDGCEQQW-KBXCAEBGSA-N 2 2 346.421 3.035 20 0 EGADLP Brc1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000294849871 308263831 /nfs/dbraw/zinc/26/38/31/308263831.db2.gz BZBYNYZSCWFPFG-VIFPVBQESA-N 2 2 327.251 3.008 20 0 EGADLP Brc1ncc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000294849871 308263833 /nfs/dbraw/zinc/26/38/33/308263833.db2.gz BZBYNYZSCWFPFG-VIFPVBQESA-N 2 2 327.251 3.008 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295143355 308296613 /nfs/dbraw/zinc/29/66/13/308296613.db2.gz QFCXJHFTABMEGO-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295143355 308296614 /nfs/dbraw/zinc/29/66/14/308296614.db2.gz QFCXJHFTABMEGO-YOEHRIQHSA-N 2 2 344.421 3.073 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)CO2 ZINC000295888651 308371351 /nfs/dbraw/zinc/37/13/51/308371351.db2.gz IBCZYDLPBYWYJL-IBGZPJMESA-N 2 2 349.434 3.033 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000295939156 308376753 /nfs/dbraw/zinc/37/67/53/308376753.db2.gz KUEHIMVOCWYIQI-FUHWJXTLSA-N 2 2 342.487 3.399 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000296054601 308388855 /nfs/dbraw/zinc/38/88/55/308388855.db2.gz OWNYWYADHJIUPD-UHFFFAOYSA-N 2 2 332.879 3.488 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000296054601 308388857 /nfs/dbraw/zinc/38/88/57/308388857.db2.gz OWNYWYADHJIUPD-UHFFFAOYSA-N 2 2 332.879 3.488 20 0 EGADLP Cc1ccc(-n2cc(C[N@@H+]3CCC[NH2+]CC3)c(C(C)(C)C)n2)cc1 ZINC000414648401 309093602 /nfs/dbraw/zinc/09/36/02/309093602.db2.gz BFKXFZUPTZTFDL-UHFFFAOYSA-N 2 2 326.488 3.274 20 0 EGADLP Cc1ccc(-n2cc(C[N@H+]3CCC[NH2+]CC3)c(C(C)(C)C)n2)cc1 ZINC000414648401 309093603 /nfs/dbraw/zinc/09/36/03/309093603.db2.gz BFKXFZUPTZTFDL-UHFFFAOYSA-N 2 2 326.488 3.274 20 0 EGADLP CC[N@H+](Cc1cccc(O)c1Br)[C@H]1CCC[NH2+]CC1 ZINC000414709970 309096607 /nfs/dbraw/zinc/09/66/07/309096607.db2.gz FTLIEJACIGFCFW-ZDUSSCGKSA-N 2 2 327.266 3.119 20 0 EGADLP CC[N@@H+](Cc1cccc(O)c1Br)[C@H]1CCC[NH2+]CC1 ZINC000414709970 309096608 /nfs/dbraw/zinc/09/66/08/309096608.db2.gz FTLIEJACIGFCFW-ZDUSSCGKSA-N 2 2 327.266 3.119 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc2)c1 ZINC000414665779 309094547 /nfs/dbraw/zinc/09/45/47/309094547.db2.gz VKDIDBPHCBVBAJ-AWEZNQCLSA-N 2 2 330.428 3.275 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc2)c1 ZINC000414665779 309094548 /nfs/dbraw/zinc/09/45/48/309094548.db2.gz VKDIDBPHCBVBAJ-AWEZNQCLSA-N 2 2 330.428 3.275 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]CCCc2[nH+]c3ccccc3n2C)[C@H]1SC ZINC000297609228 308549766 /nfs/dbraw/zinc/54/97/66/308549766.db2.gz KNASSGQHAVWEGX-QGPMSJSTSA-N 2 2 333.501 3.005 20 0 EGADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000414816429 309103554 /nfs/dbraw/zinc/10/35/54/309103554.db2.gz PVBRKCSCSWJABS-LBPRGKRZSA-N 2 2 328.382 3.199 20 0 EGADLP C[C@@H](CNc1cc[nH+]cc1Cl)[NH+]1CCN(c2ccccc2)CC1 ZINC000301534265 308704145 /nfs/dbraw/zinc/70/41/45/308704145.db2.gz SXOLEFQVCDWIST-HNNXBMFYSA-N 2 2 330.863 3.358 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414838652 309104836 /nfs/dbraw/zinc/10/48/36/309104836.db2.gz XCMBCIBNBQMJRO-HNNXBMFYSA-N 2 2 331.485 3.120 20 0 EGADLP COc1cc[nH+]c(N2CCN(c3[nH+]c4ccccc4cc3C)CC2)c1 ZINC000301710861 308711950 /nfs/dbraw/zinc/71/19/50/308711950.db2.gz HUAAAAAZXNCKDC-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP Nc1nc(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]c2ccccc12 ZINC000301761827 308714270 /nfs/dbraw/zinc/71/42/70/308714270.db2.gz GEZDACGHWSDYOY-UHFFFAOYSA-N 2 2 333.439 3.289 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1Cl ZINC000302800314 308746217 /nfs/dbraw/zinc/74/62/17/308746217.db2.gz SRKKDIHJDHUHFO-MRXNPFEDSA-N 2 2 345.878 3.445 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc(OC)c1OC ZINC000324483676 308769335 /nfs/dbraw/zinc/76/93/35/308769335.db2.gz JMRVWDSJPQOOLQ-AWEZNQCLSA-N 2 2 333.432 3.040 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)ccc1OCc1ccccc1 ZINC000414848123 309105261 /nfs/dbraw/zinc/10/52/61/309105261.db2.gz PPFUDFOMXFIJBG-SFHVURJKSA-N 2 2 326.440 3.116 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc2c1OCO2 ZINC000414848639 309105299 /nfs/dbraw/zinc/10/52/99/309105299.db2.gz QJUUKKDZBGAJGQ-QGZVFWFLSA-N 2 2 342.439 3.337 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000414851127 309105541 /nfs/dbraw/zinc/10/55/41/309105541.db2.gz TXVYNXIFAZSTRX-LJQANCHMSA-N 2 2 326.488 3.451 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000414853869 309105638 /nfs/dbraw/zinc/10/56/38/309105638.db2.gz YJSYQDNCLYSBDA-KRWDZBQOSA-N 2 2 343.437 3.426 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414864815 309106274 /nfs/dbraw/zinc/10/62/74/309106274.db2.gz KEFWSVISHDWYMI-SFHVURJKSA-N 2 2 326.488 3.071 20 0 EGADLP FC(F)(F)c1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414872229 309106521 /nfs/dbraw/zinc/10/65/21/309106521.db2.gz WFLDLQGYRRXBRS-NSHDSACASA-N 2 2 337.183 3.310 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000414892385 309107747 /nfs/dbraw/zinc/10/77/47/309107747.db2.gz WZFVDXAQEFVKHT-HOTGVXAUSA-N 2 2 330.394 3.167 20 0 EGADLP Cc1ccc(-n2cc(C[NH2+]C[C@H]([NH3+])C3CC3)c(C(C)(C)C)n2)cc1 ZINC000414895428 309107910 /nfs/dbraw/zinc/10/79/10/309107910.db2.gz WZEDXZMTAPWZGE-SFHVURJKSA-N 2 2 326.488 3.305 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414894892 309107953 /nfs/dbraw/zinc/10/79/53/309107953.db2.gz UYJDDXCDVCEJGS-GOSISDBHSA-N 2 2 332.879 3.029 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)cs2)cc1 ZINC000414928372 309109711 /nfs/dbraw/zinc/10/97/11/309109711.db2.gz AWVCYNSZJXDYSP-CABCVRRESA-N 2 2 331.485 3.261 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414955969 309111388 /nfs/dbraw/zinc/11/13/88/309111388.db2.gz PESUEJLWOHXVQR-CABZTGNLSA-N 2 2 349.219 3.281 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1O ZINC000414957008 309111527 /nfs/dbraw/zinc/11/15/27/309111527.db2.gz PCWOTRXKXYJOGD-KXBFYZLASA-N 2 2 340.467 3.199 20 0 EGADLP Brc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415035612 309115617 /nfs/dbraw/zinc/11/56/17/309115617.db2.gz DUACMFOQTJAZSW-DLBZAZTESA-N 2 2 331.257 3.294 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415040061 309115896 /nfs/dbraw/zinc/11/58/96/309115896.db2.gz JTIPAXKIMZUTOF-XJKSGUPXSA-N 2 2 332.879 3.191 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415040061 309115897 /nfs/dbraw/zinc/11/58/97/309115897.db2.gz JTIPAXKIMZUTOF-XJKSGUPXSA-N 2 2 332.879 3.191 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000415070896 309118336 /nfs/dbraw/zinc/11/83/36/309118336.db2.gz VSMBONMJXARSKN-KUHUBIRLSA-N 2 2 343.446 3.395 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137520 309123171 /nfs/dbraw/zinc/12/31/71/309123171.db2.gz UFSKYDDLJJMCEO-VQTJNVASSA-N 3 2 327.516 3.148 20 0 EGADLP CCn1cncc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417804095 309223265 /nfs/dbraw/zinc/22/32/65/309223265.db2.gz YSSDAXSRUZBCTG-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cncc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417804095 309223266 /nfs/dbraw/zinc/22/32/66/309223266.db2.gz YSSDAXSRUZBCTG-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cncc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000417804095 309223267 /nfs/dbraw/zinc/22/32/67/309223267.db2.gz YSSDAXSRUZBCTG-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cncc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000417804095 309223268 /nfs/dbraw/zinc/22/32/68/309223268.db2.gz YSSDAXSRUZBCTG-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1c[nH+]cc1CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000417810243 309223432 /nfs/dbraw/zinc/22/34/32/309223432.db2.gz NLSDWTLCKKEYCD-UHFFFAOYSA-N 2 2 339.487 3.047 20 0 EGADLP CCn1cncc1C[N@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417813986 309223634 /nfs/dbraw/zinc/22/36/34/309223634.db2.gz QKVJNSXMPFIXPR-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cncc1C[N@@H+](CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417813986 309223635 /nfs/dbraw/zinc/22/36/35/309223635.db2.gz QKVJNSXMPFIXPR-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cncc1C[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417813986 309223636 /nfs/dbraw/zinc/22/36/36/309223636.db2.gz QKVJNSXMPFIXPR-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCn1cncc1C[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417813986 309223637 /nfs/dbraw/zinc/22/36/37/309223637.db2.gz QKVJNSXMPFIXPR-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCN(Cc1c[nH+]cn1CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417813986 309223638 /nfs/dbraw/zinc/22/36/38/309223638.db2.gz QKVJNSXMPFIXPR-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCN(Cc1c[nH+]cn1CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417813986 309223639 /nfs/dbraw/zinc/22/36/39/309223639.db2.gz QKVJNSXMPFIXPR-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419296250 309263515 /nfs/dbraw/zinc/26/35/15/309263515.db2.gz RRQJRBPCVCJNQG-AWEZNQCLSA-N 2 2 333.451 3.068 20 0 EGADLP Brc1cccc2c(N3CC[C@H]4C[NH2+]C[C@H]4C3)cc[nH+]c12 ZINC000420252878 309278148 /nfs/dbraw/zinc/27/81/48/309278148.db2.gz BXUPDHDUUAOLEA-RYUDHWBXSA-N 2 2 332.245 3.043 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1ccc(C)nc1C)C[C@H]1CC[NH2+]C1 ZINC000420311157 309281164 /nfs/dbraw/zinc/28/11/64/309281164.db2.gz NJQZUSHJWXSCDS-INIZCTEOSA-N 2 2 330.501 3.075 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1ccc(C)nc1C)C[C@H]1CC[NH2+]C1 ZINC000420311157 309281165 /nfs/dbraw/zinc/28/11/65/309281165.db2.gz NJQZUSHJWXSCDS-INIZCTEOSA-N 2 2 330.501 3.075 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420323853 309282260 /nfs/dbraw/zinc/28/22/60/309282260.db2.gz UMMMZRODAHSRIN-HXUWFJFHSA-N 2 2 343.471 3.183 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)co2)cc1 ZINC000420354239 309283891 /nfs/dbraw/zinc/28/38/91/309283891.db2.gz AZIBLGXPRYWYOE-SFHVURJKSA-N 2 2 329.444 3.347 20 0 EGADLP CN(C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000420365057 309284276 /nfs/dbraw/zinc/28/42/76/309284276.db2.gz RSKVPCLVWACIER-WOJBJXKFSA-N 2 2 343.515 3.020 20 0 EGADLP CCC[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420366453 309284463 /nfs/dbraw/zinc/28/44/63/309284463.db2.gz UPKWXGUEKYNHBI-RTBURBONSA-N 2 2 331.504 3.141 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)C1CCCCC1 ZINC000420370172 309284610 /nfs/dbraw/zinc/28/46/10/309284610.db2.gz OSUYALHMUCBPLY-QGZVFWFLSA-N 2 2 334.414 3.148 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420375645 309285017 /nfs/dbraw/zinc/28/50/17/309285017.db2.gz JFCIIMOBURAWJR-HYVNUMGLSA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420375645 309285018 /nfs/dbraw/zinc/28/50/18/309285018.db2.gz JFCIIMOBURAWJR-HYVNUMGLSA-N 2 2 331.504 3.362 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381199 309285343 /nfs/dbraw/zinc/28/53/43/309285343.db2.gz CKJLAFFLXVDQRE-MJGOQNOKSA-N 2 2 330.472 3.252 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381199 309285344 /nfs/dbraw/zinc/28/53/44/309285344.db2.gz CKJLAFFLXVDQRE-MJGOQNOKSA-N 2 2 330.472 3.252 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420382232 309285589 /nfs/dbraw/zinc/28/55/89/309285589.db2.gz ZPWAVQNUIDNAJL-LJQANCHMSA-N 2 2 331.504 3.070 20 0 EGADLP C[NH2+]CCC[N@H+](C)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000420384965 309285718 /nfs/dbraw/zinc/28/57/18/309285718.db2.gz FZFBZQFWLBBPJY-UHFFFAOYSA-N 2 2 349.494 3.028 20 0 EGADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000420384965 309285719 /nfs/dbraw/zinc/28/57/19/309285719.db2.gz FZFBZQFWLBBPJY-UHFFFAOYSA-N 2 2 349.494 3.028 20 0 EGADLP Fc1cccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420402888 309286669 /nfs/dbraw/zinc/28/66/69/309286669.db2.gz QXOIMWASFCNZPX-RDJZCZTQSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c1 ZINC000420402888 309286670 /nfs/dbraw/zinc/28/66/70/309286670.db2.gz QXOIMWASFCNZPX-RDJZCZTQSA-N 2 2 329.419 3.445 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000420410695 309286944 /nfs/dbraw/zinc/28/69/44/309286944.db2.gz RFEFRMYZFOMGSC-AEGPPILISA-N 2 2 337.895 3.201 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000420410695 309286945 /nfs/dbraw/zinc/28/69/45/309286945.db2.gz RFEFRMYZFOMGSC-AEGPPILISA-N 2 2 337.895 3.201 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000420409995 309286960 /nfs/dbraw/zinc/28/69/60/309286960.db2.gz XVDGCTQBRWOOBC-VXGBXAGGSA-N 2 2 333.423 3.434 20 0 EGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000420409995 309286961 /nfs/dbraw/zinc/28/69/61/309286961.db2.gz XVDGCTQBRWOOBC-VXGBXAGGSA-N 2 2 333.423 3.434 20 0 EGADLP CCC(CC)[N@H+](CCOC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420897204 309299707 /nfs/dbraw/zinc/29/97/07/309299707.db2.gz AQKASXZZOUUQII-UHFFFAOYSA-N 2 2 334.504 3.156 20 0 EGADLP CCC(CC)[N@@H+](CCOC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420897204 309299708 /nfs/dbraw/zinc/29/97/08/309299708.db2.gz AQKASXZZOUUQII-UHFFFAOYSA-N 2 2 334.504 3.156 20 0 EGADLP c1cc2c(s1)C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420954583 309303966 /nfs/dbraw/zinc/30/39/66/309303966.db2.gz WHMMHOLSSDCTNI-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP c1cc2c(s1)C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420954583 309303967 /nfs/dbraw/zinc/30/39/67/309303967.db2.gz WHMMHOLSSDCTNI-UHFFFAOYSA-N 2 2 328.481 3.139 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccncc1Cl ZINC000421814531 309341140 /nfs/dbraw/zinc/34/11/40/309341140.db2.gz JXVNZMHSISKRBX-HNNXBMFYSA-N 2 2 345.874 3.418 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421828895 309342043 /nfs/dbraw/zinc/34/20/43/309342043.db2.gz FWGJOSDUEZZIAO-HNAYVOBHSA-N 2 2 338.467 3.089 20 0 EGADLP COc1ccc([C@@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421847650 309343059 /nfs/dbraw/zinc/34/30/59/309343059.db2.gz XYHVMGFYWLMWID-BEFAXECRSA-N 2 2 338.467 3.232 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3CCCCCC3)CC2)CC1 ZINC000422010316 309350779 /nfs/dbraw/zinc/35/07/79/309350779.db2.gz BYEPSTPTUGDZCQ-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3CCCCCC3)CC2)CC1 ZINC000422010316 309350780 /nfs/dbraw/zinc/35/07/80/309350780.db2.gz BYEPSTPTUGDZCQ-UHFFFAOYSA-N 2 2 349.563 3.366 20 0 EGADLP CC[C@@H](CC(C)C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014074 309351114 /nfs/dbraw/zinc/35/11/14/309351114.db2.gz FWUJQBPIDXKPKV-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@@H](CC(C)C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014074 309351115 /nfs/dbraw/zinc/35/11/15/309351115.db2.gz FWUJQBPIDXKPKV-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)CC1 ZINC000422017654 309351208 /nfs/dbraw/zinc/35/12/08/309351208.db2.gz JOHXOCMAWVCBED-GBESFXJTSA-N 2 2 349.563 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C)[C@@H](C)C3)CC2)CC1 ZINC000422017654 309351209 /nfs/dbraw/zinc/35/12/09/309351209.db2.gz JOHXOCMAWVCBED-GBESFXJTSA-N 2 2 349.563 3.077 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422727333 309365380 /nfs/dbraw/zinc/36/53/80/309365380.db2.gz CDKIWFJCQPZAPE-WDSOQIARSA-N 2 2 343.540 3.433 20 0 EGADLP COc1ccc([C@@H](C[NH2+][C@H](C)CCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000422753734 309366664 /nfs/dbraw/zinc/36/66/64/309366664.db2.gz GIVBWZCMMRDWAM-YLJYHZDGSA-N 3 2 333.520 3.329 20 0 EGADLP c1ccc(CN2CC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)cc1 ZINC000422773295 309367617 /nfs/dbraw/zinc/36/76/17/309367617.db2.gz ZSFUKNWWPYTSKG-FDFHNCONSA-N 2 2 335.495 3.344 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)c[nH+]1 ZINC000422826112 309370578 /nfs/dbraw/zinc/37/05/78/309370578.db2.gz KVTQSPMSKBWKBZ-NJDAHSKKSA-N 3 2 338.499 3.332 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422862200 309372504 /nfs/dbraw/zinc/37/25/04/309372504.db2.gz KCTZIYZAXGQQKP-FXAWDEMLSA-N 2 2 342.483 3.068 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000422870140 309372870 /nfs/dbraw/zinc/37/28/70/309372870.db2.gz BDNJJHYQKYBADL-CDHQVMDDSA-N 2 2 328.431 3.272 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422872389 309373057 /nfs/dbraw/zinc/37/30/57/309373057.db2.gz GXUUPVPCKFFZRR-QYZOEREBSA-N 2 2 332.488 3.173 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000422901651 309375299 /nfs/dbraw/zinc/37/52/99/309375299.db2.gz LJRPDDGAYUYMBY-QXAKKESOSA-N 3 2 342.462 3.330 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000422932883 309376716 /nfs/dbraw/zinc/37/67/16/309376716.db2.gz ZYUZCVQMLBCILZ-DYEKYZERSA-N 2 2 332.366 3.003 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422954688 309377930 /nfs/dbraw/zinc/37/79/30/309377930.db2.gz HYVXCWRBXNWGCM-CJNGLKHVSA-N 2 2 342.405 3.441 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422999828 309380088 /nfs/dbraw/zinc/38/00/88/309380088.db2.gz SXWOZFHMTMQKQK-GIYDNNGJSA-N 2 2 332.488 3.042 20 0 EGADLP CC(C)C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)Nc1nccs1 ZINC000423013410 309380886 /nfs/dbraw/zinc/38/08/86/309380886.db2.gz FWPUCGFBVCCWHA-PMPSAXMXSA-N 2 2 344.484 3.231 20 0 EGADLP C[C@H]([NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C1C[NH2+]C1 ZINC000423053504 309383245 /nfs/dbraw/zinc/38/32/45/309383245.db2.gz SQFLXGRRVRMCKL-ZFWWWQNUSA-N 2 2 327.497 3.113 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065467 309384211 /nfs/dbraw/zinc/38/42/11/309384211.db2.gz UMYHPLUMRLUANL-FNAHDJPLSA-N 3 2 341.543 3.407 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423065467 309384212 /nfs/dbraw/zinc/38/42/12/309384212.db2.gz UMYHPLUMRLUANL-FNAHDJPLSA-N 3 2 341.543 3.407 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(-c2ccccc2)s1 ZINC000423097610 309385759 /nfs/dbraw/zinc/38/57/59/309385759.db2.gz JMSPKOMORGEZQA-HIFRSBDPSA-N 2 2 331.485 3.044 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000423130847 309387379 /nfs/dbraw/zinc/38/73/79/309387379.db2.gz SGRKUPYGDYWGQQ-CSODHUTKSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423130847 309387380 /nfs/dbraw/zinc/38/73/80/309387380.db2.gz SGRKUPYGDYWGQQ-CSODHUTKSA-N 3 2 338.499 3.162 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423137330 309387808 /nfs/dbraw/zinc/38/78/08/309387808.db2.gz WCRCEYFVTUJQGH-JCURWCKSSA-N 2 2 332.394 3.337 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C ZINC000423153546 309388515 /nfs/dbraw/zinc/38/85/15/309388515.db2.gz HSPZYDDXHLKEDN-GTYSZEQSSA-N 2 2 335.451 3.087 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423190709 309389783 /nfs/dbraw/zinc/38/97/83/309389783.db2.gz NYGQQVNVBCSCMQ-HZMBPMFUSA-N 2 2 329.669 3.431 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423192633 309390010 /nfs/dbraw/zinc/39/00/10/309390010.db2.gz PWOCSLWRBSHRQD-BXUZGUMPSA-N 2 2 325.250 3.004 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccccc1-n1ccnn1 ZINC000423268819 309393261 /nfs/dbraw/zinc/39/32/61/309393261.db2.gz FBSAKUZABMTFJL-INIZCTEOSA-N 2 2 327.476 3.230 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccccc1-n1ccnn1 ZINC000423268820 309393459 /nfs/dbraw/zinc/39/34/59/309393459.db2.gz FBSAKUZABMTFJL-MRXNPFEDSA-N 2 2 327.476 3.230 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]([NH3+])C4CCC4)cc3)[nH+]c12 ZINC000423334146 309395750 /nfs/dbraw/zinc/39/57/50/309395750.db2.gz FOHBTFVBQADYCH-SFHVURJKSA-N 2 2 334.423 3.376 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cnccc2C)cc1 ZINC000423347192 309396381 /nfs/dbraw/zinc/39/63/81/309396381.db2.gz ZSXUJHQWDMTMBM-QSFXBCCZSA-N 2 2 325.456 3.195 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cccc(CO)c1 ZINC000423357427 309396815 /nfs/dbraw/zinc/39/68/15/309396815.db2.gz AKQVLZXIBAQUPL-ZLXGRDSLSA-N 2 2 346.421 3.253 20 0 EGADLP Cc1ncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000423364747 309397235 /nfs/dbraw/zinc/39/72/35/309397235.db2.gz JWPHOQBXBVGUIB-ODYMNIRHSA-N 2 2 346.425 3.168 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000423370920 309397641 /nfs/dbraw/zinc/39/76/41/309397641.db2.gz QBPYHGFKOOBNES-UVIMBBFXSA-N 2 2 332.394 3.467 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc(Br)c1 ZINC000423410412 309399121 /nfs/dbraw/zinc/39/91/21/309399121.db2.gz AFCDXTSYMJCQRQ-HZPDHXFCSA-N 2 2 341.293 3.258 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)cc1 ZINC000423413460 309399284 /nfs/dbraw/zinc/39/92/84/309399284.db2.gz KQDNQUSKJQFJJE-SJKOYZFVSA-N 2 2 347.409 3.017 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccccc1Br ZINC000423415961 309399499 /nfs/dbraw/zinc/39/94/99/309399499.db2.gz FJTAMHUUZQYPHN-CVEARBPZSA-N 2 2 341.293 3.258 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)CCC[NH2+]1 ZINC000423426693 309399891 /nfs/dbraw/zinc/39/98/91/309399891.db2.gz NJDASBMPFVGZEV-SJCJKPOMSA-N 2 2 325.522 3.168 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)nnn1-c1cccc(Cl)c1 ZINC000423533961 309405498 /nfs/dbraw/zinc/40/54/98/309405498.db2.gz UWRCIBUBPTYPFF-YVEFUNNKSA-N 2 2 347.894 3.397 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000423556224 309406305 /nfs/dbraw/zinc/40/63/05/309406305.db2.gz HYOHJHAOCBFHLO-QGZVFWFLSA-N 3 2 341.474 3.470 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2[nH+]c1C1CC1 ZINC000423809728 309413835 /nfs/dbraw/zinc/41/38/35/309413835.db2.gz LJAMZOHAIJGGTK-LXZKKBNFSA-N 2 2 338.455 3.310 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423868711 309417517 /nfs/dbraw/zinc/41/75/17/309417517.db2.gz HXDMWQINXPYKLC-LPHOPBHVSA-N 2 2 342.487 3.020 20 0 EGADLP Cc1cccc2[nH+]c(CNC(=O)CC[C@@H]([NH3+])CC3CCCCC3)cn21 ZINC000424147568 309430814 /nfs/dbraw/zinc/43/08/14/309430814.db2.gz RQHRSLSSXRTPOW-QGZVFWFLSA-N 2 2 342.487 3.337 20 0 EGADLP CC(C)(C)c1cnc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)s1 ZINC000424388034 309441585 /nfs/dbraw/zinc/44/15/85/309441585.db2.gz YZAZFAFDGBIYMM-UHFFFAOYSA-N 2 2 345.516 3.077 20 0 EGADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000430919657 309620871 /nfs/dbraw/zinc/62/08/71/309620871.db2.gz RIMGZESHYBSRGL-HZPDHXFCSA-N 2 2 339.483 3.089 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000431419108 309632435 /nfs/dbraw/zinc/63/24/35/309632435.db2.gz FTOMQYYWBSZEMH-UHFFFAOYSA-N 2 2 330.451 3.343 20 0 EGADLP Cn1c(NCCc2[nH+]ccn2Cc2ccccc2)[nH+]c2cccc(F)c21 ZINC000443435790 309901046 /nfs/dbraw/zinc/90/10/46/309901046.db2.gz HKBWAZIWEYKDDF-UHFFFAOYSA-N 2 2 349.413 3.034 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)Cc1cc(OC)cc[nH+]1 ZINC000446776147 309967890 /nfs/dbraw/zinc/96/78/90/309967890.db2.gz JMPGOCFYJXTOIH-UHFFFAOYSA-N 2 2 333.501 3.496 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000447546686 309981716 /nfs/dbraw/zinc/98/17/16/309981716.db2.gz YAXKBZBQVNHZFS-AWEZNQCLSA-N 2 2 339.395 3.162 20 0 EGADLP Fc1cnccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000449333588 310054294 /nfs/dbraw/zinc/05/42/94/310054294.db2.gz HEKQSSUNHGWTIV-MJGOQNOKSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000449333588 310054295 /nfs/dbraw/zinc/05/42/95/310054295.db2.gz HEKQSSUNHGWTIV-MJGOQNOKSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000449333588 310054296 /nfs/dbraw/zinc/05/42/96/310054296.db2.gz HEKQSSUNHGWTIV-MJGOQNOKSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cnccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000449333588 310054297 /nfs/dbraw/zinc/05/42/97/310054297.db2.gz HEKQSSUNHGWTIV-MJGOQNOKSA-N 2 2 325.431 3.175 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000449397595 310058697 /nfs/dbraw/zinc/05/86/97/310058697.db2.gz QWHYRGPBSCYOJJ-GBESFXJTSA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000449397595 310058698 /nfs/dbraw/zinc/05/86/98/310058698.db2.gz QWHYRGPBSCYOJJ-GBESFXJTSA-N 2 2 336.907 3.413 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398461 310058884 /nfs/dbraw/zinc/05/88/84/310058884.db2.gz VAVZPKLMOGZPQI-LBDPXKHJSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398461 310058885 /nfs/dbraw/zinc/05/88/85/310058885.db2.gz VAVZPKLMOGZPQI-LBDPXKHJSA-N 2 2 336.442 3.180 20 0 EGADLP COc1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000449463771 310064064 /nfs/dbraw/zinc/06/40/64/310064064.db2.gz XTWLGQXCVJPKQZ-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449519640 310068721 /nfs/dbraw/zinc/06/87/21/310068721.db2.gz CDSURXAZSMYTOA-FXAWDEMLSA-N 2 2 329.488 3.388 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCSC[C@@H]3C3CC3)sc2C1 ZINC000449526429 310069042 /nfs/dbraw/zinc/06/90/42/310069042.db2.gz DREJOXFDTIJOLV-OAHLLOKOSA-N 2 2 337.558 3.237 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCSC[C@@H]3C3CC3)sc2C1 ZINC000449526429 310069043 /nfs/dbraw/zinc/06/90/43/310069043.db2.gz DREJOXFDTIJOLV-OAHLLOKOSA-N 2 2 337.558 3.237 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCSC[C@@H]3C3CC3)sc2C1 ZINC000449526429 310069044 /nfs/dbraw/zinc/06/90/44/310069044.db2.gz DREJOXFDTIJOLV-OAHLLOKOSA-N 2 2 337.558 3.237 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCSC[C@@H]3C3CC3)sc2C1 ZINC000449526429 310069045 /nfs/dbraw/zinc/06/90/45/310069045.db2.gz DREJOXFDTIJOLV-OAHLLOKOSA-N 2 2 337.558 3.237 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000449750826 310084336 /nfs/dbraw/zinc/08/43/36/310084336.db2.gz WSTREWSOPDSJRJ-GUDVDZBRSA-N 2 2 337.467 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449750826 310084337 /nfs/dbraw/zinc/08/43/37/310084337.db2.gz WSTREWSOPDSJRJ-GUDVDZBRSA-N 2 2 337.467 3.090 20 0 EGADLP CCc1ccc2[nH+]ccc(N3CC[NH+](Cc4cc(C)no4)CC3)c2c1 ZINC000450233605 310110082 /nfs/dbraw/zinc/11/00/82/310110082.db2.gz OBVOULQNANOZBZ-UHFFFAOYSA-N 2 2 336.439 3.416 20 0 EGADLP OCC[NH+]1CCC(CNc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000450312886 310114690 /nfs/dbraw/zinc/11/46/90/310114690.db2.gz ODGJDTDUQKEVAW-UHFFFAOYSA-N 2 2 337.826 3.144 20 0 EGADLP Nc1ncccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458896 310123944 /nfs/dbraw/zinc/12/39/44/310123944.db2.gz ZDBAVPMTPRGCLP-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ncccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458896 310123945 /nfs/dbraw/zinc/12/39/45/310123945.db2.gz ZDBAVPMTPRGCLP-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450458896 310123946 /nfs/dbraw/zinc/12/39/46/310123946.db2.gz ZDBAVPMTPRGCLP-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450458896 310123947 /nfs/dbraw/zinc/12/39/47/310123947.db2.gz ZDBAVPMTPRGCLP-OAQYLSRUSA-N 2 2 336.483 3.152 20 0 EGADLP COCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1 ZINC000451975458 310206087 /nfs/dbraw/zinc/20/60/87/310206087.db2.gz KUUMMCUADRZAMF-UHFFFAOYSA-N 2 2 325.815 3.214 20 0 EGADLP COCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(Cl)c1 ZINC000451975458 310206088 /nfs/dbraw/zinc/20/60/88/310206088.db2.gz KUUMMCUADRZAMF-UHFFFAOYSA-N 2 2 325.815 3.214 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)C3CC[NH+](C4CC4)CC3)ccc21 ZINC000452362962 310224679 /nfs/dbraw/zinc/22/46/79/310224679.db2.gz ZWLSQMUELDJLBC-UHFFFAOYSA-N 2 2 338.455 3.114 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106584 310258403 /nfs/dbraw/zinc/25/84/03/310258403.db2.gz HEDQVFHMKACUMZ-ROUUACIJSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106584 310258404 /nfs/dbraw/zinc/25/84/04/310258404.db2.gz HEDQVFHMKACUMZ-ROUUACIJSA-N 2 2 349.906 3.111 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221335 310264845 /nfs/dbraw/zinc/26/48/45/310264845.db2.gz VCGQEOVVSPLTEU-SFTDATJTSA-N 2 2 339.483 3.413 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000453221335 310264846 /nfs/dbraw/zinc/26/48/46/310264846.db2.gz VCGQEOVVSPLTEU-SFTDATJTSA-N 2 2 339.483 3.413 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245272 310266438 /nfs/dbraw/zinc/26/64/38/310266438.db2.gz BMKIMOJKDUMTSF-CJNGLKHVSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(C(F)(F)F)cc1 ZINC000453245272 310266439 /nfs/dbraw/zinc/26/64/39/310266439.db2.gz BMKIMOJKDUMTSF-CJNGLKHVSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281381 310269010 /nfs/dbraw/zinc/26/90/10/310269010.db2.gz CTNCRFCTWXQUKS-HKUYNNGSSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281381 310269011 /nfs/dbraw/zinc/26/90/11/310269011.db2.gz CTNCRFCTWXQUKS-HKUYNNGSSA-N 2 2 338.499 3.254 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453293372 310269494 /nfs/dbraw/zinc/26/94/94/310269494.db2.gz WMGOJYHMJLPLBV-MAZHCROVSA-N 2 2 330.394 3.059 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453293372 310269495 /nfs/dbraw/zinc/26/94/95/310269495.db2.gz WMGOJYHMJLPLBV-MAZHCROVSA-N 2 2 330.394 3.059 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393582 310274655 /nfs/dbraw/zinc/27/46/55/310274655.db2.gz VHGRHTUVWVBTCG-HKUYNNGSSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393582 310274656 /nfs/dbraw/zinc/27/46/56/310274656.db2.gz VHGRHTUVWVBTCG-HKUYNNGSSA-N 2 2 345.531 3.213 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454324997 310303639 /nfs/dbraw/zinc/30/36/39/310303639.db2.gz NCNOCWPFOQQCQH-IXDOHACOSA-N 2 2 349.523 3.021 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454324997 310303640 /nfs/dbraw/zinc/30/36/40/310303640.db2.gz NCNOCWPFOQQCQH-IXDOHACOSA-N 2 2 349.523 3.021 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000455503643 310364285 /nfs/dbraw/zinc/36/42/85/310364285.db2.gz VUFROEQOKXAWPG-KRWDZBQOSA-N 2 2 330.476 3.202 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)c[nH+]1 ZINC000455558082 310366650 /nfs/dbraw/zinc/36/66/50/310366650.db2.gz MKHXLYRBJYHDMJ-UHFFFAOYSA-N 2 2 346.519 3.256 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)ccc21 ZINC000456272128 310395968 /nfs/dbraw/zinc/39/59/68/310395968.db2.gz LDGWYQFQQJFHKX-RTWAWAEBSA-N 2 2 349.478 3.449 20 0 EGADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000456272128 310395969 /nfs/dbraw/zinc/39/59/69/310395969.db2.gz LDGWYQFQQJFHKX-RTWAWAEBSA-N 2 2 349.478 3.449 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000457614784 310463342 /nfs/dbraw/zinc/46/33/42/310463342.db2.gz MGIFXGNISOUGSK-IRXDYDNUSA-N 2 2 349.523 3.164 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459479088 310555329 /nfs/dbraw/zinc/55/53/29/310555329.db2.gz JWQFZDNNISNPBA-UHFFFAOYSA-N 3 2 349.482 3.342 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@H]1Sc1ccccc1 ZINC000459497197 310556620 /nfs/dbraw/zinc/55/66/20/310556620.db2.gz IMMIJCUWRPJFFH-ITQYTPKQSA-N 2 2 343.496 3.126 20 0 EGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000474463841 310794064 /nfs/dbraw/zinc/79/40/64/310794064.db2.gz HOFBKYSKADLOPY-SJORKVTESA-N 2 2 326.550 3.143 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000488092028 311050922 /nfs/dbraw/zinc/05/09/22/311050922.db2.gz WFACABOJFMEVQL-UWHLTILDSA-N 2 2 342.527 3.487 20 0 EGADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1OCCc2sccc21 ZINC000492195988 311225441 /nfs/dbraw/zinc/22/54/41/311225441.db2.gz XVOFMROVXNRZOH-BDJLRTHQSA-N 2 2 337.514 3.058 20 0 EGADLP CCCCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000492774167 311289629 /nfs/dbraw/zinc/28/96/29/311289629.db2.gz WMMMMCQRMIUWCM-HJWRWDBZSA-N 2 2 332.492 3.361 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000492904124 311305246 /nfs/dbraw/zinc/30/52/46/311305246.db2.gz VSTPJWQQAXVIEQ-KTKRTIGZSA-N 2 2 338.455 3.115 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)c1ccccc1Cl ZINC000493225860 311345712 /nfs/dbraw/zinc/34/57/12/311345712.db2.gz PQCDWAAMKIJZNE-YDZSZYSISA-N 2 2 346.862 3.276 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000507809768 312082890 /nfs/dbraw/zinc/08/28/90/312082890.db2.gz FDHFNYNPPIKPQY-APWZRJJASA-N 2 2 335.923 3.106 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Cl ZINC000507809768 312082892 /nfs/dbraw/zinc/08/28/92/312082892.db2.gz FDHFNYNPPIKPQY-APWZRJJASA-N 2 2 335.923 3.106 20 0 EGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690871 312099725 /nfs/dbraw/zinc/09/97/25/312099725.db2.gz LCAVAVSMXHOHOM-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690871 312099726 /nfs/dbraw/zinc/09/97/26/312099726.db2.gz LCAVAVSMXHOHOM-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276617 312318673 /nfs/dbraw/zinc/31/86/73/312318673.db2.gz GRFVHOOCFZCKSH-SFHVURJKSA-N 2 2 326.440 3.024 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276617 312318675 /nfs/dbraw/zinc/31/86/75/312318675.db2.gz GRFVHOOCFZCKSH-SFHVURJKSA-N 2 2 326.440 3.024 20 0 EGADLP FC1(F)CCCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000516854418 312345521 /nfs/dbraw/zinc/34/55/21/312345521.db2.gz DCSFRAORGCSWET-GFCCVEGCSA-N 2 2 344.369 3.448 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000087788244 454088956 /nfs/dbraw/zinc/08/89/56/454088956.db2.gz IFTIWGUZVURAEM-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528395441 313083386 /nfs/dbraw/zinc/08/33/86/313083386.db2.gz LQMUWVREPMYTHH-UHFFFAOYSA-N 2 2 341.858 3.224 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528395441 313083389 /nfs/dbraw/zinc/08/33/89/313083389.db2.gz LQMUWVREPMYTHH-UHFFFAOYSA-N 2 2 341.858 3.224 20 0 EGADLP CC(C)[C@H]1CN(CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000528640465 313135163 /nfs/dbraw/zinc/13/51/63/313135163.db2.gz OWMBQOXMTPCXBD-HXUWFJFHSA-N 2 2 326.488 3.116 20 0 EGADLP CC(C)[C@H]1CN(CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000528640465 313135165 /nfs/dbraw/zinc/13/51/65/313135165.db2.gz OWMBQOXMTPCXBD-HXUWFJFHSA-N 2 2 326.488 3.116 20 0 EGADLP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774294 313170355 /nfs/dbraw/zinc/17/03/55/313170355.db2.gz UMZAIEMRGKFODR-FUHWJXTLSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@H]1CC(F)(F)CC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774294 313170357 /nfs/dbraw/zinc/17/03/57/313170357.db2.gz UMZAIEMRGKFODR-FUHWJXTLSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@H]1CC(F)(F)CC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000528774294 313170360 /nfs/dbraw/zinc/17/03/60/313170360.db2.gz UMZAIEMRGKFODR-FUHWJXTLSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@H]1CC(F)(F)CC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000528774294 313170363 /nfs/dbraw/zinc/17/03/63/313170363.db2.gz UMZAIEMRGKFODR-FUHWJXTLSA-N 2 2 338.442 3.397 20 0 EGADLP CC(C)N(C)c1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)c[nH+]1 ZINC000530247134 313505700 /nfs/dbraw/zinc/50/57/00/313505700.db2.gz PQKHVEVCZRIRJK-UHFFFAOYSA-N 2 2 326.444 3.020 20 0 EGADLP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000531952619 313735591 /nfs/dbraw/zinc/73/55/91/313735591.db2.gz ZBFBVHFWUAIWEX-PKOBYXMFSA-N 2 2 332.488 3.066 20 0 EGADLP CC[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCOCC1 ZINC000531977697 313739107 /nfs/dbraw/zinc/73/91/07/313739107.db2.gz PEIYVJUMRYWRBA-LJQANCHMSA-N 2 2 338.536 3.064 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1sccc1Br)C[NH+]1CCOCC1 ZINC000531976511 313739157 /nfs/dbraw/zinc/73/91/57/313739157.db2.gz SYYBHGWUDVMVMR-NEPJUHHUSA-N 2 2 347.322 3.130 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)Cc2ccccc2C1 ZINC000534798198 314000358 /nfs/dbraw/zinc/00/03/58/314000358.db2.gz HCHHGVAMNVZZBM-XUVXKRRUSA-N 2 2 340.511 3.023 20 0 EGADLP Cc1ccccc1C[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000534977040 314009331 /nfs/dbraw/zinc/00/93/31/314009331.db2.gz VFZVTHPBQXXZHT-UHFFFAOYSA-N 2 2 334.467 3.380 20 0 EGADLP Cc1cccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1C ZINC000536369292 314109014 /nfs/dbraw/zinc/10/90/14/314109014.db2.gz HYTPJYNKKSTIGS-UHFFFAOYSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536605879 314129035 /nfs/dbraw/zinc/12/90/35/314129035.db2.gz GSUAVWOAQUWFFR-AWEZNQCLSA-N 2 2 349.438 3.106 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(C)c[nH+]1 ZINC000536619984 314131409 /nfs/dbraw/zinc/13/14/09/314131409.db2.gz JUDIKELWJLCTKA-IBGZPJMESA-N 2 2 338.455 3.079 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092296 314296229 /nfs/dbraw/zinc/29/62/29/314296229.db2.gz TYLJHNYOAUHLQY-BEFAXECRSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000539092296 314296232 /nfs/dbraw/zinc/29/62/32/314296232.db2.gz TYLJHNYOAUHLQY-BEFAXECRSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123655 314298492 /nfs/dbraw/zinc/29/84/92/314298492.db2.gz WQUKFBRXZGODBH-SWLSCSKDSA-N 2 2 328.378 3.200 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccccc1OC(F)(F)F ZINC000539123655 314298494 /nfs/dbraw/zinc/29/84/94/314298494.db2.gz WQUKFBRXZGODBH-SWLSCSKDSA-N 2 2 328.378 3.200 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000539691249 314329382 /nfs/dbraw/zinc/32/93/82/314329382.db2.gz JTUAKXDRJNPVHC-RQSWOZRGSA-N 2 2 340.511 3.444 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000539691249 314329384 /nfs/dbraw/zinc/32/93/84/314329384.db2.gz JTUAKXDRJNPVHC-RQSWOZRGSA-N 2 2 340.511 3.444 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000540494311 314384656 /nfs/dbraw/zinc/38/46/56/314384656.db2.gz VRJQYZYOJGEWFB-WOJBJXKFSA-N 2 2 343.515 3.237 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000540494311 314384660 /nfs/dbraw/zinc/38/46/60/314384660.db2.gz VRJQYZYOJGEWFB-WOJBJXKFSA-N 2 2 343.515 3.237 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000548860323 315055957 /nfs/dbraw/zinc/05/59/57/315055957.db2.gz YYLPQYDWRMHLFE-HOTGVXAUSA-N 2 2 339.439 3.477 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H]3CCN(C(=O)Nc4ccccc4)C3)c[nH+]c12 ZINC000548874330 315058004 /nfs/dbraw/zinc/05/80/04/315058004.db2.gz RBJQITAMPASJOA-KRWDZBQOSA-N 2 2 349.438 3.039 20 0 EGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3n2CCCC3)CC1 ZINC000551814482 315170532 /nfs/dbraw/zinc/17/05/32/315170532.db2.gz QJAJIIYLXWFGRM-QFBILLFUSA-N 2 2 330.520 3.352 20 0 EGADLP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2c[nH+]c3n2CCCC3)CC1 ZINC000551814482 315170536 /nfs/dbraw/zinc/17/05/36/315170536.db2.gz QJAJIIYLXWFGRM-QFBILLFUSA-N 2 2 330.520 3.352 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000552034730 315191126 /nfs/dbraw/zinc/19/11/26/315191126.db2.gz FXKKYYHYUORUEF-OAHLLOKOSA-N 2 2 346.438 3.276 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)c(C)c1OC ZINC000552049930 315192801 /nfs/dbraw/zinc/19/28/01/315192801.db2.gz JRESQSZWYBAFLB-HOTGVXAUSA-N 2 2 334.504 3.265 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)c(C)c1OC ZINC000552049930 315192805 /nfs/dbraw/zinc/19/28/05/315192805.db2.gz JRESQSZWYBAFLB-HOTGVXAUSA-N 2 2 334.504 3.265 20 0 EGADLP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000554599140 315337825 /nfs/dbraw/zinc/33/78/25/315337825.db2.gz FBSHBMNRLWRYNC-QGZVFWFLSA-N 2 2 342.487 3.068 20 0 EGADLP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000554599140 315337829 /nfs/dbraw/zinc/33/78/29/315337829.db2.gz FBSHBMNRLWRYNC-QGZVFWFLSA-N 2 2 342.487 3.068 20 0 EGADLP Cn1c(C[NH2+]Cc2c[nH+]c3n2CCCC3)nc2ccc(Cl)cc21 ZINC000560094937 315659937 /nfs/dbraw/zinc/65/99/37/315659937.db2.gz MOBLJVIGCMFUJD-UHFFFAOYSA-N 2 2 329.835 3.049 20 0 EGADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)Cn1c2ccccc2c2ccccc21 ZINC000560725620 315719851 /nfs/dbraw/zinc/71/98/51/315719851.db2.gz BFHUAWHDUQYMCL-QGZVFWFLSA-N 2 2 348.450 3.032 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@H+]4CCOC[C@@H]4C)CC3)cc2c1 ZINC000563363949 316006811 /nfs/dbraw/zinc/00/68/11/316006811.db2.gz NVSYTORULDXKPN-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC([N@@H+]4CCOC[C@@H]4C)CC3)cc2c1 ZINC000563363949 316006816 /nfs/dbraw/zinc/00/68/16/316006816.db2.gz NVSYTORULDXKPN-KRWDZBQOSA-N 2 2 339.483 3.228 20 0 EGADLP Cc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563668512 316053114 /nfs/dbraw/zinc/05/31/14/316053114.db2.gz ADQRSLGXRCPQBN-IAGOWNOFSA-N 2 2 326.444 3.009 20 0 EGADLP Cc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000563668512 316053116 /nfs/dbraw/zinc/05/31/16/316053116.db2.gz ADQRSLGXRCPQBN-IAGOWNOFSA-N 2 2 326.444 3.009 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008869 316101646 /nfs/dbraw/zinc/10/16/46/316101646.db2.gz RJCVJHABGHOLLW-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008869 316101649 /nfs/dbraw/zinc/10/16/49/316101649.db2.gz RJCVJHABGHOLLW-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008869 316101651 /nfs/dbraw/zinc/10/16/51/316101651.db2.gz RJCVJHABGHOLLW-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Cl)C[C@@H]1C ZINC000564008869 316101653 /nfs/dbraw/zinc/10/16/53/316101653.db2.gz RJCVJHABGHOLLW-GJZGRUSLSA-N 2 2 337.895 3.392 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1 ZINC000564380228 316144283 /nfs/dbraw/zinc/14/42/83/316144283.db2.gz QKEFDRSVAYPVHC-INIZCTEOSA-N 2 2 336.439 3.056 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCc3ccc(F)cc3Cl)CC2)c1 ZINC000564692284 316187913 /nfs/dbraw/zinc/18/79/13/316187913.db2.gz DMKWTPOWVSCHTF-UHFFFAOYSA-N 2 2 349.837 3.247 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176193 316282643 /nfs/dbraw/zinc/28/26/43/316282643.db2.gz ZUUJUFFPZXOPFP-MRXNPFEDSA-N 2 2 328.859 3.004 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176193 316282645 /nfs/dbraw/zinc/28/26/45/316282645.db2.gz ZUUJUFFPZXOPFP-MRXNPFEDSA-N 2 2 328.859 3.004 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176193 316282646 /nfs/dbraw/zinc/28/26/46/316282646.db2.gz ZUUJUFFPZXOPFP-MRXNPFEDSA-N 2 2 328.859 3.004 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176193 316282648 /nfs/dbraw/zinc/28/26/48/316282648.db2.gz ZUUJUFFPZXOPFP-MRXNPFEDSA-N 2 2 328.859 3.004 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229922 316295412 /nfs/dbraw/zinc/29/54/12/316295412.db2.gz OSYPOKVGKBSZSG-ZDBPOJEVSA-N 2 2 336.426 3.165 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)c1 ZINC000565229922 316295415 /nfs/dbraw/zinc/29/54/15/316295415.db2.gz OSYPOKVGKBSZSG-ZDBPOJEVSA-N 2 2 336.426 3.165 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000565393299 316317916 /nfs/dbraw/zinc/31/79/16/316317916.db2.gz YFYMRDXIAHWSBT-KRWDZBQOSA-N 2 2 341.459 3.253 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000565393299 316317919 /nfs/dbraw/zinc/31/79/19/316317919.db2.gz YFYMRDXIAHWSBT-KRWDZBQOSA-N 2 2 341.459 3.253 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000565489408 316331154 /nfs/dbraw/zinc/33/11/54/316331154.db2.gz VXZYGJGIRNWIGQ-MRXNPFEDSA-N 2 2 336.907 3.458 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000565489408 316331157 /nfs/dbraw/zinc/33/11/57/316331157.db2.gz VXZYGJGIRNWIGQ-MRXNPFEDSA-N 2 2 336.907 3.458 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000565594221 316344668 /nfs/dbraw/zinc/34/46/68/316344668.db2.gz LHJGGSUVUOZPDO-AWEZNQCLSA-N 2 2 346.862 3.341 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000566438851 316477078 /nfs/dbraw/zinc/47/70/78/316477078.db2.gz UGFSKQDRSCJJGE-ZBFHGGJFSA-N 2 2 346.862 3.072 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)Oc2cccc(Br)c2)n1C ZINC000569259621 316889511 /nfs/dbraw/zinc/88/95/11/316889511.db2.gz GYXUISPVUYETDB-NSHDSACASA-N 2 2 338.249 3.048 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccccc3Br)CC2)n1C ZINC000570740835 317101119 /nfs/dbraw/zinc/10/11/19/317101119.db2.gz QONCDGYADLSLGI-UHFFFAOYSA-N 2 2 334.261 3.312 20 0 EGADLP Cc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000571822113 317253024 /nfs/dbraw/zinc/25/30/24/317253024.db2.gz ICBKXRRDFOMHBX-INIZCTEOSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c(C)[nH+]1 ZINC000572102038 317291175 /nfs/dbraw/zinc/29/11/75/317291175.db2.gz JKHMXXJXZFDQHU-QGZVFWFLSA-N 2 2 330.476 3.249 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1COc3ccccc3C1)C2 ZINC000572623277 317366649 /nfs/dbraw/zinc/36/66/49/317366649.db2.gz VAIWUSQODSHTIR-HOTGVXAUSA-N 2 2 325.456 3.089 20 0 EGADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000116396217 455054967 /nfs/dbraw/zinc/05/49/67/455054967.db2.gz CTMULTASWCEWGG-TZMCWYRMSA-N 2 2 340.899 3.018 20 0 EGADLP Brc1cncc([C@@H]([NH2+]CCCn2cc[nH+]c2)C2CC2)c1 ZINC000284886373 455757076 /nfs/dbraw/zinc/75/70/76/455757076.db2.gz TZISPZKPVMSFLB-HNNXBMFYSA-N 2 2 335.249 3.172 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)C[NH+]1CCOCC1 ZINC000172634397 323287423 /nfs/dbraw/zinc/28/74/23/323287423.db2.gz PWNVRPFJLREGEM-HNNXBMFYSA-N 2 2 332.419 3.144 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)[C@H](C)C1 ZINC000178708310 323360005 /nfs/dbraw/zinc/36/00/05/323360005.db2.gz YHTCCWQYTNAXIV-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)[C@H](C)C1 ZINC000178708310 323360007 /nfs/dbraw/zinc/36/00/07/323360007.db2.gz YHTCCWQYTNAXIV-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000183471138 323616410 /nfs/dbraw/zinc/61/64/10/323616410.db2.gz CQZAEMZVNMTKDE-VMPITWQZSA-N 2 2 332.451 3.165 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000390860270 324285531 /nfs/dbraw/zinc/28/55/31/324285531.db2.gz FAHRHBJPBAPVNQ-FQEVSTJZSA-N 3 2 329.532 3.363 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000390860270 324285533 /nfs/dbraw/zinc/28/55/33/324285533.db2.gz FAHRHBJPBAPVNQ-FQEVSTJZSA-N 3 2 329.532 3.363 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+]CCC(=O)Nc1cccnc1)c1ccccc1 ZINC000575368316 324454231 /nfs/dbraw/zinc/45/42/31/324454231.db2.gz VCZYTDFZPWWUTI-IBGZPJMESA-N 2 2 340.471 3.083 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(O[C@H]2CCOC2)c1 ZINC000579225176 325079738 /nfs/dbraw/zinc/07/97/38/325079738.db2.gz SIHBRTSMZLKLAA-FFZOFVMBSA-N 2 2 338.451 3.397 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)ccn12 ZINC000579975539 325186446 /nfs/dbraw/zinc/18/64/46/325186446.db2.gz VPJOVMXPAKNIKA-RVKKMQEKSA-N 2 2 340.471 3.120 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)ccn12 ZINC000579975539 325186447 /nfs/dbraw/zinc/18/64/47/325186447.db2.gz VPJOVMXPAKNIKA-RVKKMQEKSA-N 2 2 340.471 3.120 20 0 EGADLP C[C@@H](CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000580080923 325201408 /nfs/dbraw/zinc/20/14/08/325201408.db2.gz WXCLODQSPGNOSH-IRXDYDNUSA-N 2 2 340.471 3.176 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722159 325288706 /nfs/dbraw/zinc/28/87/06/325288706.db2.gz ALEFFURPHKXZBY-WMZOPIPTSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000580722159 325288709 /nfs/dbraw/zinc/28/87/09/325288709.db2.gz ALEFFURPHKXZBY-WMZOPIPTSA-N 2 2 328.456 3.442 20 0 EGADLP COc1ncccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000580957139 325314472 /nfs/dbraw/zinc/31/44/72/325314472.db2.gz KLGNGWGAINKRHU-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ncccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000580957139 325314476 /nfs/dbraw/zinc/31/44/76/325314476.db2.gz KLGNGWGAINKRHU-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000580957139 325314479 /nfs/dbraw/zinc/31/44/79/325314479.db2.gz KLGNGWGAINKRHU-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ncccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000580957139 325314481 /nfs/dbraw/zinc/31/44/81/325314481.db2.gz KLGNGWGAINKRHU-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000581924314 325399055 /nfs/dbraw/zinc/39/90/55/325399055.db2.gz ZEOKNUYTKDXNRX-ZWKOTPCHSA-N 2 2 335.455 3.422 20 0 EGADLP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000581939545 325400256 /nfs/dbraw/zinc/40/02/56/325400256.db2.gz KQISBIAYMJYKEW-FBBABVLZSA-N 2 2 342.483 3.016 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)COc1ccccc1)[NH+](C)C ZINC000582356028 325435003 /nfs/dbraw/zinc/43/50/03/325435003.db2.gz RDFXNGWTRQIJDE-WFXMLNOXSA-N 2 2 342.483 3.016 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC2CCCCC2)c2[nH+]ccn21 ZINC000583307870 325512868 /nfs/dbraw/zinc/51/28/68/325512868.db2.gz BHBFRIOKDFMEFS-NVXWUHKLSA-N 2 2 347.507 3.042 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000583421651 325522210 /nfs/dbraw/zinc/52/22/10/325522210.db2.gz IBUFFPPQRDLMNN-UYAOXDASSA-N 2 2 334.423 3.277 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3C[C@H]3C(F)F)c[nH+]c12 ZINC000342235264 457185045 /nfs/dbraw/zinc/18/50/45/457185045.db2.gz VCTAGVWUFOHXLN-GHMZBOCLSA-N 2 2 330.176 3.148 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc(Cl)c1OC ZINC000375940254 458132961 /nfs/dbraw/zinc/13/29/61/458132961.db2.gz FKKCUDVELRJQIA-AWEZNQCLSA-N 2 2 326.868 3.273 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc(Cl)c1OC ZINC000375940254 458132963 /nfs/dbraw/zinc/13/29/63/458132963.db2.gz FKKCUDVELRJQIA-AWEZNQCLSA-N 2 2 326.868 3.273 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093949 455268768 /nfs/dbraw/zinc/26/87/68/455268768.db2.gz UBCBTKPSCWUSQM-DZGCQCFKSA-N 2 2 347.894 3.222 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Cl)c1 ZINC000158093949 455268771 /nfs/dbraw/zinc/26/87/71/455268771.db2.gz UBCBTKPSCWUSQM-DZGCQCFKSA-N 2 2 347.894 3.222 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000241644303 455268910 /nfs/dbraw/zinc/26/89/10/455268910.db2.gz PPUWRRNMLJBLJU-YZGWKJHDSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000241644303 455268914 /nfs/dbraw/zinc/26/89/14/455268914.db2.gz PPUWRRNMLJBLJU-YZGWKJHDSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H](CC[NH2+][C@H](c1nccn1C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000183291891 455271651 /nfs/dbraw/zinc/27/16/51/455271651.db2.gz XLHHJENQLKPYIX-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H](CC[NH2+][C@H](c1nccn1C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000183291891 455271653 /nfs/dbraw/zinc/27/16/53/455271653.db2.gz XLHHJENQLKPYIX-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000181097364 455287168 /nfs/dbraw/zinc/28/71/68/455287168.db2.gz DAAVSGBZGGCBLY-OAHLLOKOSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)o2)cc1 ZINC000181097364 455287169 /nfs/dbraw/zinc/28/71/69/455287169.db2.gz DAAVSGBZGGCBLY-OAHLLOKOSA-N 2 2 325.416 3.325 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000173619397 455317307 /nfs/dbraw/zinc/31/73/07/455317307.db2.gz ZICUWHPZJFKHIV-CQSZACIVSA-N 2 2 335.517 3.198 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000631827127 460574563 /nfs/dbraw/zinc/57/45/63/460574563.db2.gz GASAUUXHKAMENJ-VQIMIIECSA-N 2 2 341.455 3.314 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000631827127 460574570 /nfs/dbraw/zinc/57/45/70/460574570.db2.gz GASAUUXHKAMENJ-VQIMIIECSA-N 2 2 341.455 3.314 20 0 EGADLP CCCc1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158903393 455336325 /nfs/dbraw/zinc/33/63/25/455336325.db2.gz LCGRNBPXPONNPB-INIZCTEOSA-N 2 2 334.508 3.499 20 0 EGADLP CCCc1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000158903393 455336327 /nfs/dbraw/zinc/33/63/27/455336327.db2.gz LCGRNBPXPONNPB-INIZCTEOSA-N 2 2 334.508 3.499 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081630712 453898451 /nfs/dbraw/zinc/89/84/51/453898451.db2.gz PAQPROYINHMTCQ-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081630712 453898455 /nfs/dbraw/zinc/89/84/55/453898455.db2.gz PAQPROYINHMTCQ-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081630712 453898457 /nfs/dbraw/zinc/89/84/57/453898457.db2.gz PAQPROYINHMTCQ-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081630712 453898460 /nfs/dbraw/zinc/89/84/60/453898460.db2.gz PAQPROYINHMTCQ-GDBMZVCRSA-N 2 2 349.906 3.331 20 0 EGADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000075758020 453924175 /nfs/dbraw/zinc/92/41/75/453924175.db2.gz IPBPREXJZISKLF-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000075860076 453932425 /nfs/dbraw/zinc/93/24/25/453932425.db2.gz JBJWCMBRQQTEDP-HXUWFJFHSA-N 2 2 345.531 3.379 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000075860076 453932428 /nfs/dbraw/zinc/93/24/28/453932428.db2.gz JBJWCMBRQQTEDP-HXUWFJFHSA-N 2 2 345.531 3.379 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000075860076 453932430 /nfs/dbraw/zinc/93/24/30/453932430.db2.gz JBJWCMBRQQTEDP-HXUWFJFHSA-N 2 2 345.531 3.379 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000075860076 453932434 /nfs/dbraw/zinc/93/24/34/453932434.db2.gz JBJWCMBRQQTEDP-HXUWFJFHSA-N 2 2 345.531 3.379 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861274 453933842 /nfs/dbraw/zinc/93/38/42/453933842.db2.gz INYXECZYQPRECX-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861274 453933843 /nfs/dbraw/zinc/93/38/43/453933843.db2.gz INYXECZYQPRECX-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861274 453933845 /nfs/dbraw/zinc/93/38/45/453933845.db2.gz INYXECZYQPRECX-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861274 453933846 /nfs/dbraw/zinc/93/38/46/453933846.db2.gz INYXECZYQPRECX-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000076002498 453947868 /nfs/dbraw/zinc/94/78/68/453947868.db2.gz NPKFJPBBQZKRGT-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000076002498 453947871 /nfs/dbraw/zinc/94/78/71/453947871.db2.gz NPKFJPBBQZKRGT-HNNXBMFYSA-N 2 2 342.430 3.460 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000077281121 454084983 /nfs/dbraw/zinc/08/49/83/454084983.db2.gz LICCNHOCZZDMNC-UHFFFAOYSA-N 2 2 348.878 3.395 20 0 EGADLP COc1ccc(C)cc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000069710766 454136098 /nfs/dbraw/zinc/13/60/98/454136098.db2.gz FULIYYNHDFXMNW-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000057829013 454150536 /nfs/dbraw/zinc/15/05/36/454150536.db2.gz NQECOBLNMITXOO-GOSISDBHSA-N 2 2 336.439 3.147 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000130382786 454193692 /nfs/dbraw/zinc/19/36/92/454193692.db2.gz HSAMUCGIKXOIDI-UHFFFAOYSA-N 2 2 342.487 3.450 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000130382786 454193708 /nfs/dbraw/zinc/19/37/08/454193708.db2.gz HSAMUCGIKXOIDI-UHFFFAOYSA-N 2 2 342.487 3.450 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000119590017 454206444 /nfs/dbraw/zinc/20/64/44/454206444.db2.gz SRPPEMSQQPEDNJ-MRXNPFEDSA-N 2 2 347.484 3.007 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000119590017 454206450 /nfs/dbraw/zinc/20/64/50/454206450.db2.gz SRPPEMSQQPEDNJ-MRXNPFEDSA-N 2 2 347.484 3.007 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000071857565 454233821 /nfs/dbraw/zinc/23/38/21/454233821.db2.gz PIIBFXUBHDHURI-JXFKEZNVSA-N 2 2 347.466 3.397 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000071857565 454233826 /nfs/dbraw/zinc/23/38/26/454233826.db2.gz PIIBFXUBHDHURI-JXFKEZNVSA-N 2 2 347.466 3.397 20 0 EGADLP CC(C)c1cc(N2CCC(C[NH+]3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000090071406 454272782 /nfs/dbraw/zinc/27/27/82/454272782.db2.gz OUIXWGDVVDNWPX-UHFFFAOYSA-N 2 2 346.519 3.272 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000131723361 454279460 /nfs/dbraw/zinc/27/94/60/454279460.db2.gz MFUMNRWZHRPHJJ-FOIQADDNSA-N 2 2 332.463 3.388 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)CCO1 ZINC000131723361 454279466 /nfs/dbraw/zinc/27/94/66/454279466.db2.gz MFUMNRWZHRPHJJ-FOIQADDNSA-N 2 2 332.463 3.388 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1Br ZINC000090250642 454296661 /nfs/dbraw/zinc/29/66/61/454296661.db2.gz BBPPWXWEMZSZPA-JTQLQIEISA-N 2 2 328.641 3.477 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000090526226 454317794 /nfs/dbraw/zinc/31/77/94/454317794.db2.gz UCAAYFLOHAWCDO-BKTGTZMESA-N 2 2 338.442 3.383 20 0 EGADLP COCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936699 454351536 /nfs/dbraw/zinc/35/15/36/454351536.db2.gz XJUKJFRVKWGJMV-DXCKQFNASA-N 2 2 328.859 3.487 20 0 EGADLP COCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936699 454351540 /nfs/dbraw/zinc/35/15/40/454351540.db2.gz XJUKJFRVKWGJMV-DXCKQFNASA-N 2 2 328.859 3.487 20 0 EGADLP COc1cccc(C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C2CC2)c1 ZINC000121016399 454377127 /nfs/dbraw/zinc/37/71/27/454377127.db2.gz ZJMVGKRUZFPDKG-FQEVSTJZSA-N 2 2 335.451 3.496 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043164 454507458 /nfs/dbraw/zinc/50/74/58/454507458.db2.gz AIMUJOCONDXHCF-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043164 454507460 /nfs/dbraw/zinc/50/74/60/454507460.db2.gz AIMUJOCONDXHCF-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043164 454507467 /nfs/dbraw/zinc/50/74/67/454507467.db2.gz AIMUJOCONDXHCF-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@@H]21 ZINC000092043164 454507472 /nfs/dbraw/zinc/50/74/72/454507472.db2.gz AIMUJOCONDXHCF-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(Br)c2)CC[C@@H]1[NH3+] ZINC000122371603 454527313 /nfs/dbraw/zinc/52/73/13/454527313.db2.gz YIDKAKRLYJYGIC-OCCSQVGLSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(Br)c2)CC[C@@H]1[NH3+] ZINC000122371603 454527320 /nfs/dbraw/zinc/52/73/20/454527320.db2.gz YIDKAKRLYJYGIC-OCCSQVGLSA-N 2 2 327.266 3.017 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)CCn3cc[nH+]c3C(C)C)ccc2n1C ZINC000074189037 454542227 /nfs/dbraw/zinc/54/22/27/454542227.db2.gz CVGVGBNXYJBLAW-UHFFFAOYSA-N 2 2 325.416 3.230 20 0 EGADLP Cc1cccc(O[C@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000122828270 454572972 /nfs/dbraw/zinc/57/29/72/454572972.db2.gz AXNMJJCLEIQVLU-GOSISDBHSA-N 2 2 339.483 3.412 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000123022936 454593494 /nfs/dbraw/zinc/59/34/94/454593494.db2.gz IOLHOJHHOKQXCI-ZWKOTPCHSA-N 2 2 334.508 3.195 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[N@@H+]1CCc2ccccc2C1 ZINC000123122307 454604420 /nfs/dbraw/zinc/60/44/20/454604420.db2.gz QZWVQXNZQIDFSF-XLIONFOSSA-N 2 2 345.531 3.060 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[N@H+]1CCc2ccccc2C1 ZINC000123122307 454604424 /nfs/dbraw/zinc/60/44/24/454604424.db2.gz QZWVQXNZQIDFSF-XLIONFOSSA-N 2 2 345.531 3.060 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959891 454657188 /nfs/dbraw/zinc/65/71/88/454657188.db2.gz CJIBWSPWATYBML-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080959891 454657192 /nfs/dbraw/zinc/65/71/92/454657192.db2.gz CJIBWSPWATYBML-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP Clc1c[nH+]ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000080970518 454661695 /nfs/dbraw/zinc/66/16/95/454661695.db2.gz UHGJQDHZXCDNTF-UHFFFAOYSA-N 2 2 347.846 3.058 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969101 454661923 /nfs/dbraw/zinc/66/19/23/454661923.db2.gz JNFPVUBIIILKES-UHFFFAOYSA-N 2 2 327.447 3.360 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969101 454661931 /nfs/dbraw/zinc/66/19/31/454661931.db2.gz JNFPVUBIIILKES-UHFFFAOYSA-N 2 2 327.447 3.360 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nc(C)no2)CC1 ZINC000093299952 454700584 /nfs/dbraw/zinc/70/05/84/454700584.db2.gz MHCQQGJFISENHJ-UHFFFAOYSA-N 2 2 325.416 3.127 20 0 EGADLP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000136208796 454729506 /nfs/dbraw/zinc/72/95/06/454729506.db2.gz YOOQITBIQDNJJQ-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP CCCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000136208796 454729507 /nfs/dbraw/zinc/72/95/07/454729507.db2.gz YOOQITBIQDNJJQ-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP CCCn1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccccc21 ZINC000093865881 454740558 /nfs/dbraw/zinc/74/05/58/454740558.db2.gz WVKTWURGIJBARA-QGZVFWFLSA-N 2 2 336.439 3.495 20 0 EGADLP CCCn1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccccc21 ZINC000093865881 454740563 /nfs/dbraw/zinc/74/05/63/454740563.db2.gz WVKTWURGIJBARA-QGZVFWFLSA-N 2 2 336.439 3.495 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cncs3)CC2)c1 ZINC000124538927 454745487 /nfs/dbraw/zinc/74/54/87/454745487.db2.gz DQXPUMSAYXDFFA-QGZVFWFLSA-N 2 2 344.528 3.314 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009442 460651937 /nfs/dbraw/zinc/65/19/37/460651937.db2.gz GZIGEFSVTXNXPZ-YZGWKJHDSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635009442 460651941 /nfs/dbraw/zinc/65/19/41/460651941.db2.gz GZIGEFSVTXNXPZ-YZGWKJHDSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008656 460652269 /nfs/dbraw/zinc/65/22/69/460652269.db2.gz GDEKNSVJYRCDQC-UWJYYQICSA-N 3 2 335.495 3.257 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008656 460652272 /nfs/dbraw/zinc/65/22/72/460652272.db2.gz GDEKNSVJYRCDQC-UWJYYQICSA-N 3 2 335.495 3.257 20 0 EGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000620439870 460653102 /nfs/dbraw/zinc/65/31/02/460653102.db2.gz SLNUPMGYUPMKTM-HXUWFJFHSA-N 2 2 334.504 3.312 20 0 EGADLP CCCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000620439870 460653108 /nfs/dbraw/zinc/65/31/08/460653108.db2.gz SLNUPMGYUPMKTM-HXUWFJFHSA-N 2 2 334.504 3.312 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000153307545 454780943 /nfs/dbraw/zinc/78/09/43/454780943.db2.gz CJOGVOWDVMULPH-WMLDXEAASA-N 2 2 342.430 3.297 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C[NH+]1CCOCC1 ZINC000153325668 454782704 /nfs/dbraw/zinc/78/27/04/454782704.db2.gz WZVOFMJAMMCWIT-HOTGVXAUSA-N 2 2 345.512 3.429 20 0 EGADLP COCC[N@H+](C)CCCC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000162538672 454782832 /nfs/dbraw/zinc/78/28/32/454782832.db2.gz QYFNISSAXNSSBE-UHFFFAOYSA-N 2 2 348.535 3.483 20 0 EGADLP COCC[N@@H+](C)CCCC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000162538672 454782834 /nfs/dbraw/zinc/78/28/34/454782834.db2.gz QYFNISSAXNSSBE-UHFFFAOYSA-N 2 2 348.535 3.483 20 0 EGADLP COc1ccc2cc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)ccc2c1 ZINC000153336674 454784043 /nfs/dbraw/zinc/78/40/43/454784043.db2.gz ZMJSVEVLDUUFDB-IRXDYDNUSA-N 2 2 342.483 3.467 20 0 EGADLP CCCN(Cc1c[nH+]cn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177037042 454815040 /nfs/dbraw/zinc/81/50/40/454815040.db2.gz QVLPHBKMRZZSFM-LJQANCHMSA-N 2 2 326.488 3.297 20 0 EGADLP CCCN(Cc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177037042 454815043 /nfs/dbraw/zinc/81/50/43/454815043.db2.gz QVLPHBKMRZZSFM-LJQANCHMSA-N 2 2 326.488 3.297 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)CC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153672744 454819236 /nfs/dbraw/zinc/81/92/36/454819236.db2.gz HCOLTTSBZBKDEQ-INIZCTEOSA-N 2 2 340.471 3.219 20 0 EGADLP CNc1cc(N2CCC[C@H]2C[NH2+]C/C(C)=C/c2ccccc2)nc[nH+]1 ZINC000109069940 454820414 /nfs/dbraw/zinc/82/04/14/454820414.db2.gz WZVZOWYLTRKDJB-FYXHJSOBSA-N 2 2 337.471 3.180 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nnn1-c1ccccc1 ZINC000635011813 460655786 /nfs/dbraw/zinc/65/57/86/460655786.db2.gz PGSLUGTXZNOKCA-ZBFHGGJFSA-N 2 2 327.476 3.005 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163293118 454836348 /nfs/dbraw/zinc/83/63/48/454836348.db2.gz NJYPDSJRSBCETJ-CYBMUJFWSA-N 2 2 348.288 3.381 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000163293118 454836350 /nfs/dbraw/zinc/83/63/50/454836350.db2.gz NJYPDSJRSBCETJ-CYBMUJFWSA-N 2 2 348.288 3.381 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1 ZINC000635011817 460655915 /nfs/dbraw/zinc/65/59/15/460655915.db2.gz PHCNHFGXDHFIDM-SJORKVTESA-N 2 2 330.451 3.016 20 0 EGADLP CC[N@H+](CCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000163847533 454867312 /nfs/dbraw/zinc/86/73/12/454867312.db2.gz NOVYJTFUIMDCAB-QGZVFWFLSA-N 2 2 331.504 3.045 20 0 EGADLP CC[N@@H+](CCCNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000163847533 454867313 /nfs/dbraw/zinc/86/73/13/454867313.db2.gz NOVYJTFUIMDCAB-QGZVFWFLSA-N 2 2 331.504 3.045 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@]4(C)CC[NH2+]C4)cc3)[nH+]c12 ZINC000165502523 454900665 /nfs/dbraw/zinc/90/06/65/454900665.db2.gz YTZXTJJPISWXGI-FQEVSTJZSA-N 2 2 334.423 3.248 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618673 454921961 /nfs/dbraw/zinc/92/19/61/454921961.db2.gz UXKXWJMBUBXHCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618673 454921962 /nfs/dbraw/zinc/92/19/62/454921962.db2.gz UXKXWJMBUBXHCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618673 454921966 /nfs/dbraw/zinc/92/19/66/454921966.db2.gz UXKXWJMBUBXHCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)cs3)CC[C@@H]21 ZINC000167618673 454921968 /nfs/dbraw/zinc/92/19/68/454921968.db2.gz UXKXWJMBUBXHCF-FZMZJTMJSA-N 2 2 329.307 3.427 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000154733958 454924635 /nfs/dbraw/zinc/92/46/35/454924635.db2.gz QXTRFEGXONNCFI-GOSISDBHSA-N 2 2 326.488 3.278 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000154733958 454924639 /nfs/dbraw/zinc/92/46/39/454924639.db2.gz QXTRFEGXONNCFI-GOSISDBHSA-N 2 2 326.488 3.278 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000178331515 454948338 /nfs/dbraw/zinc/94/83/38/454948338.db2.gz AFBCIPZELCJBAP-PKOBYXMFSA-N 2 2 344.499 3.379 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000178331515 454948340 /nfs/dbraw/zinc/94/83/40/454948340.db2.gz AFBCIPZELCJBAP-PKOBYXMFSA-N 2 2 344.499 3.379 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000178657071 454966750 /nfs/dbraw/zinc/96/67/50/454966750.db2.gz CCVBGBWZEQCKDJ-SFHVURJKSA-N 2 2 330.472 3.133 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000151366080 454975534 /nfs/dbraw/zinc/97/55/34/454975534.db2.gz JHDXGJUGUKFKOU-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000151366080 454975537 /nfs/dbraw/zinc/97/55/37/454975537.db2.gz JHDXGJUGUKFKOU-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000151460548 454987324 /nfs/dbraw/zinc/98/73/24/454987324.db2.gz CMOUNYXLEUNEJF-FUHWJXTLSA-N 2 2 329.469 3.017 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)cc2)c[nH+]1 ZINC000151460626 454987464 /nfs/dbraw/zinc/98/74/64/454987464.db2.gz CMOUNYXLEUNEJF-AEFFLSMTSA-N 2 2 329.469 3.017 20 0 EGADLP C[C@@H](CSC(C)(C)C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000128047444 455021271 /nfs/dbraw/zinc/02/12/71/455021271.db2.gz LTTLCSKGSJXBCQ-HNNXBMFYSA-N 3 2 327.582 3.055 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000171126862 455033802 /nfs/dbraw/zinc/03/38/02/455033802.db2.gz JDGHGOUZROOHNG-CQSZACIVSA-N 2 2 330.432 3.048 20 0 EGADLP C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151833610 455036786 /nfs/dbraw/zinc/03/67/86/455036786.db2.gz LOKUWLCUAXZNPW-CYBMUJFWSA-N 2 2 327.350 3.492 20 0 EGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Cl)cn1 ZINC000116396211 455054958 /nfs/dbraw/zinc/05/49/58/455054958.db2.gz CTMULTASWCEWGG-JSGCOSHPSA-N 2 2 340.899 3.018 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000152422626 455116730 /nfs/dbraw/zinc/11/67/30/455116730.db2.gz LEOZYPZNBYOZOI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)o2)cc1 ZINC000152422626 455116732 /nfs/dbraw/zinc/11/67/32/455116732.db2.gz LEOZYPZNBYOZOI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)o2)cc1 ZINC000152422626 455116734 /nfs/dbraw/zinc/11/67/34/455116734.db2.gz LEOZYPZNBYOZOI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)o2)cc1 ZINC000152422626 455116738 /nfs/dbraw/zinc/11/67/38/455116738.db2.gz LEOZYPZNBYOZOI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000156487001 455124654 /nfs/dbraw/zinc/12/46/54/455124654.db2.gz QYFPOFMWUDJYJB-WMLDXEAASA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000156487001 455124656 /nfs/dbraw/zinc/12/46/56/455124656.db2.gz QYFPOFMWUDJYJB-WMLDXEAASA-N 2 2 346.862 3.367 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cccc2[nH+]ccn21 ZINC000180405098 455164823 /nfs/dbraw/zinc/16/48/23/455164823.db2.gz UHHQNUGPTZOHHG-SFHVURJKSA-N 2 2 334.467 3.431 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc2[nH+]ccn21 ZINC000180405098 455164825 /nfs/dbraw/zinc/16/48/25/455164825.db2.gz UHHQNUGPTZOHHG-SFHVURJKSA-N 2 2 334.467 3.431 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414884 455291755 /nfs/dbraw/zinc/29/17/55/455291755.db2.gz CTISHSNLOSYSBY-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414884 455291760 /nfs/dbraw/zinc/29/17/60/455291760.db2.gz CTISHSNLOSYSBY-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414884 455291765 /nfs/dbraw/zinc/29/17/65/455291765.db2.gz CTISHSNLOSYSBY-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414884 455291771 /nfs/dbraw/zinc/29/17/71/455291771.db2.gz CTISHSNLOSYSBY-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP C[C@](C[NH3+])(NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC1 ZINC000237618623 455199542 /nfs/dbraw/zinc/19/95/42/455199542.db2.gz UNYZNLIRGYLLAP-GOSISDBHSA-N 2 2 345.830 3.385 20 0 EGADLP O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237689442 455208267 /nfs/dbraw/zinc/20/82/67/455208267.db2.gz OLEBJNIAUWWOJP-ZDUSSCGKSA-N 2 2 345.830 3.257 20 0 EGADLP Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)o1 ZINC000237723682 455211694 /nfs/dbraw/zinc/21/16/94/455211694.db2.gz USXCBDDIIHRHKW-UHFFFAOYSA-N 2 2 327.472 3.198 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438773 455299619 /nfs/dbraw/zinc/29/96/19/455299619.db2.gz FMZIBIYUGHSHOY-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438773 455299624 /nfs/dbraw/zinc/29/96/24/455299624.db2.gz FMZIBIYUGHSHOY-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438773 455299627 /nfs/dbraw/zinc/29/96/27/455299627.db2.gz FMZIBIYUGHSHOY-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000245438773 455299631 /nfs/dbraw/zinc/29/96/31/455299631.db2.gz FMZIBIYUGHSHOY-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245512729 455318111 /nfs/dbraw/zinc/31/81/11/455318111.db2.gz ATUKEDSJVUKMHX-SVFBPWRDSA-N 2 2 344.499 3.303 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245512729 455318114 /nfs/dbraw/zinc/31/81/14/455318114.db2.gz ATUKEDSJVUKMHX-SVFBPWRDSA-N 2 2 344.499 3.303 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245512729 455318117 /nfs/dbraw/zinc/31/81/17/455318117.db2.gz ATUKEDSJVUKMHX-SVFBPWRDSA-N 2 2 344.499 3.303 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000245512729 455318121 /nfs/dbraw/zinc/31/81/21/455318121.db2.gz ATUKEDSJVUKMHX-SVFBPWRDSA-N 2 2 344.499 3.303 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000158673212 455320344 /nfs/dbraw/zinc/32/03/44/455320344.db2.gz ILTVSAPKTWCXGL-APWZRJJASA-N 2 2 343.515 3.339 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000158673212 455320349 /nfs/dbraw/zinc/32/03/49/455320349.db2.gz ILTVSAPKTWCXGL-APWZRJJASA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000158673212 455320351 /nfs/dbraw/zinc/32/03/51/455320351.db2.gz ILTVSAPKTWCXGL-APWZRJJASA-N 2 2 343.515 3.339 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3C(C)(C)C)CC[C@@H]21 ZINC000158673212 455320355 /nfs/dbraw/zinc/32/03/55/455320355.db2.gz ILTVSAPKTWCXGL-APWZRJJASA-N 2 2 343.515 3.339 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798317 455330190 /nfs/dbraw/zinc/33/01/90/455330190.db2.gz ZYUKFANLFNWBFQ-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798317 455330195 /nfs/dbraw/zinc/33/01/95/455330195.db2.gz ZYUKFANLFNWBFQ-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798317 455330197 /nfs/dbraw/zinc/33/01/97/455330197.db2.gz ZYUKFANLFNWBFQ-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@@H]21 ZINC000158798317 455330202 /nfs/dbraw/zinc/33/02/02/455330202.db2.gz ZYUKFANLFNWBFQ-ZBFHGGJFSA-N 2 2 346.862 3.306 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000158847831 455332346 /nfs/dbraw/zinc/33/23/46/455332346.db2.gz FJSWJMZRRIXESD-OAHLLOKOSA-N 2 2 332.492 3.424 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000158847831 455332347 /nfs/dbraw/zinc/33/23/47/455332347.db2.gz FJSWJMZRRIXESD-OAHLLOKOSA-N 2 2 332.492 3.424 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173921660 455342174 /nfs/dbraw/zinc/34/21/74/455342174.db2.gz KKFZZDZUUKQRGP-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173921660 455342179 /nfs/dbraw/zinc/34/21/79/455342179.db2.gz KKFZZDZUUKQRGP-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173921660 455342184 /nfs/dbraw/zinc/34/21/84/455342184.db2.gz KKFZZDZUUKQRGP-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173921660 455342189 /nfs/dbraw/zinc/34/21/89/455342189.db2.gz KKFZZDZUUKQRGP-HXUWFJFHSA-N 2 2 345.531 3.007 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000245723013 455364033 /nfs/dbraw/zinc/36/40/33/455364033.db2.gz DODLRDRPPFRSNP-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(Cl)c1OC ZINC000245723013 455364035 /nfs/dbraw/zinc/36/40/35/455364035.db2.gz DODLRDRPPFRSNP-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(Cl)c1OC ZINC000245723013 455364036 /nfs/dbraw/zinc/36/40/36/455364036.db2.gz DODLRDRPPFRSNP-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(Cl)c1OC ZINC000245723013 455364038 /nfs/dbraw/zinc/36/40/38/455364038.db2.gz DODLRDRPPFRSNP-GDBMZVCRSA-N 2 2 338.879 3.273 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000245851959 455385904 /nfs/dbraw/zinc/38/59/04/455385904.db2.gz GMDHLTWSISGELT-VNTMZGSJSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000245851959 455385908 /nfs/dbraw/zinc/38/59/08/455385908.db2.gz GMDHLTWSISGELT-VNTMZGSJSA-N 2 2 328.500 3.444 20 0 EGADLP OC[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828967 455388784 /nfs/dbraw/zinc/38/87/84/455388784.db2.gz ZVLTUJQPWFQIKS-UGKGYDQZSA-N 2 2 349.478 3.141 20 0 EGADLP OC[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000265828967 455388788 /nfs/dbraw/zinc/38/87/88/455388788.db2.gz ZVLTUJQPWFQIKS-UGKGYDQZSA-N 2 2 349.478 3.141 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623459 455415436 /nfs/dbraw/zinc/41/54/36/455415436.db2.gz GRDAGRYEHNFLKA-KXBFYZLASA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623459 455415439 /nfs/dbraw/zinc/41/54/39/455415439.db2.gz GRDAGRYEHNFLKA-KXBFYZLASA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623459 455415443 /nfs/dbraw/zinc/41/54/43/455415443.db2.gz GRDAGRYEHNFLKA-KXBFYZLASA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000184623459 455415446 /nfs/dbraw/zinc/41/54/46/455415446.db2.gz GRDAGRYEHNFLKA-KXBFYZLASA-N 2 2 344.890 3.442 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000246043736 455417022 /nfs/dbraw/zinc/41/70/22/455417022.db2.gz BLVKCXAUZTZLHN-GXTWGEPZSA-N 2 2 328.403 3.259 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC(F)F ZINC000246043736 455417024 /nfs/dbraw/zinc/41/70/24/455417024.db2.gz BLVKCXAUZTZLHN-GXTWGEPZSA-N 2 2 328.403 3.259 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101876 455426481 /nfs/dbraw/zinc/42/64/81/455426481.db2.gz BCSZOGSUHNZNNE-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101876 455426485 /nfs/dbraw/zinc/42/64/85/455426485.db2.gz BCSZOGSUHNZNNE-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101876 455426490 /nfs/dbraw/zinc/42/64/90/455426490.db2.gz BCSZOGSUHNZNNE-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000246101876 455426494 /nfs/dbraw/zinc/42/64/94/455426494.db2.gz BCSZOGSUHNZNNE-QZTJIDSGSA-N 2 2 331.504 3.294 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182092016 455433802 /nfs/dbraw/zinc/43/38/02/455433802.db2.gz PRJQLNPNFODZPJ-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000182092016 455433807 /nfs/dbraw/zinc/43/38/07/455433807.db2.gz PRJQLNPNFODZPJ-SFHVURJKSA-N 2 2 349.482 3.369 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246904243 455534360 /nfs/dbraw/zinc/53/43/60/455534360.db2.gz CEPOQINTSKMPHR-PKOBYXMFSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246904243 455534365 /nfs/dbraw/zinc/53/43/65/455534365.db2.gz CEPOQINTSKMPHR-PKOBYXMFSA-N 2 2 335.536 3.022 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2F)[C@@H](C)C1 ZINC000247160295 455566829 /nfs/dbraw/zinc/56/68/29/455566829.db2.gz RZXDCWUZHJCWIB-KSSFIOAISA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2F)[C@@H](C)C1 ZINC000247160295 455566833 /nfs/dbraw/zinc/56/68/33/455566833.db2.gz RZXDCWUZHJCWIB-KSSFIOAISA-N 2 2 326.431 3.191 20 0 EGADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185508715 455570964 /nfs/dbraw/zinc/57/09/64/455570964.db2.gz HNRRBLAAWRHNEZ-AQFXKWCLSA-N 2 2 348.453 3.399 20 0 EGADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185508715 455570966 /nfs/dbraw/zinc/57/09/66/455570966.db2.gz HNRRBLAAWRHNEZ-AQFXKWCLSA-N 2 2 348.453 3.399 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247254938 455579328 /nfs/dbraw/zinc/57/93/28/455579328.db2.gz FBFJAFOCCWHSGS-SJORKVTESA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000247254938 455579330 /nfs/dbraw/zinc/57/93/30/455579330.db2.gz FBFJAFOCCWHSGS-SJORKVTESA-N 2 2 331.504 3.240 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185679470 455594262 /nfs/dbraw/zinc/59/42/62/455594262.db2.gz KSLNQHOIUUDVSC-UWJYYQICSA-N 2 2 338.499 3.463 20 0 EGADLP COc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192358089 455597029 /nfs/dbraw/zinc/59/70/29/455597029.db2.gz WKWYZWFLHFMDRF-HXUWFJFHSA-N 2 2 340.467 3.076 20 0 EGADLP COc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192358089 455597035 /nfs/dbraw/zinc/59/70/35/455597035.db2.gz WKWYZWFLHFMDRF-HXUWFJFHSA-N 2 2 340.467 3.076 20 0 EGADLP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000277601691 455611708 /nfs/dbraw/zinc/61/17/08/455611708.db2.gz FDDQTNCAFVBRHG-CQSZACIVSA-N 2 2 327.394 3.408 20 0 EGADLP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000277601691 455611710 /nfs/dbraw/zinc/61/17/10/455611710.db2.gz FDDQTNCAFVBRHG-CQSZACIVSA-N 2 2 327.394 3.408 20 0 EGADLP Fc1cccc(Br)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000192469908 455625141 /nfs/dbraw/zinc/62/51/41/455625141.db2.gz QSPZRUUYFYFCMW-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP Fc1cccc(Br)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192469908 455625147 /nfs/dbraw/zinc/62/51/47/455625147.db2.gz QSPZRUUYFYFCMW-NSHDSACASA-N 2 2 327.241 3.162 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000247702787 455639623 /nfs/dbraw/zinc/63/96/23/455639623.db2.gz YGGDSXJNRALSRN-RXVVDRJESA-N 2 2 345.531 3.164 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000247702787 455639629 /nfs/dbraw/zinc/63/96/29/455639629.db2.gz YGGDSXJNRALSRN-RXVVDRJESA-N 2 2 345.531 3.164 20 0 EGADLP CCOc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(Cl)c1O ZINC000284136775 455640745 /nfs/dbraw/zinc/64/07/45/455640745.db2.gz PWBAUBAQLUARML-UHFFFAOYSA-N 2 2 335.835 3.478 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)CCCO1 ZINC000277710969 455642806 /nfs/dbraw/zinc/64/28/06/455642806.db2.gz IPTQTMDDCDQFKA-CYBMUJFWSA-N 2 2 348.459 3.326 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(CSC(F)F)o2)CCCO1 ZINC000277710969 455642810 /nfs/dbraw/zinc/64/28/10/455642810.db2.gz IPTQTMDDCDQFKA-CYBMUJFWSA-N 2 2 348.459 3.326 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000277753530 455655942 /nfs/dbraw/zinc/65/59/42/455655942.db2.gz PSTBPCGSCMLOAO-UHFFFAOYSA-N 2 2 345.516 3.247 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000271505496 455663770 /nfs/dbraw/zinc/66/37/70/455663770.db2.gz MVXDUUOETZDDDT-OTWHNJEPSA-N 2 2 338.442 3.383 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)C[NH+]1CCOCC1 ZINC000247984865 455665706 /nfs/dbraw/zinc/66/57/06/455665706.db2.gz IRTAUBKUBCDWGZ-PMPSAXMXSA-N 2 2 347.528 3.346 20 0 EGADLP O=C(C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)C(F)(F)F ZINC000186078039 455690096 /nfs/dbraw/zinc/69/00/96/455690096.db2.gz FDEWVURNCFJRBU-UHFFFAOYSA-N 2 2 337.345 3.216 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217788 455699345 /nfs/dbraw/zinc/69/93/45/455699345.db2.gz ZYUKFANLFNWBFQ-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217788 455699346 /nfs/dbraw/zinc/69/93/46/455699346.db2.gz ZYUKFANLFNWBFQ-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217788 455699348 /nfs/dbraw/zinc/69/93/48/455699348.db2.gz ZYUKFANLFNWBFQ-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC[C@H]21 ZINC000248217788 455699350 /nfs/dbraw/zinc/69/93/50/455699350.db2.gz ZYUKFANLFNWBFQ-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248493066 455716613 /nfs/dbraw/zinc/71/66/13/455716613.db2.gz JTEBMDHRBOTKSB-RKVPGOIHSA-N 2 2 344.528 3.450 20 0 EGADLP Cc1cnc([C@H](C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000248493066 455716616 /nfs/dbraw/zinc/71/66/16/455716616.db2.gz JTEBMDHRBOTKSB-RKVPGOIHSA-N 2 2 344.528 3.450 20 0 EGADLP C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192940133 455722430 /nfs/dbraw/zinc/72/24/30/455722430.db2.gz ZGXFXEFTDKDIGD-VQIMIIECSA-N 2 2 329.444 3.109 20 0 EGADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268920137 455730928 /nfs/dbraw/zinc/73/09/28/455730928.db2.gz WFBSCYCSKWMGMI-GOSISDBHSA-N 2 2 330.472 3.135 20 0 EGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186324775 455743981 /nfs/dbraw/zinc/74/39/81/455743981.db2.gz JYMNZCXADSFKDO-OPYAIIAOSA-N 2 2 345.531 3.449 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024954 455766372 /nfs/dbraw/zinc/76/63/72/455766372.db2.gz REBKNTLXHLPZRR-ZJSJBZJDSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000269024954 455766373 /nfs/dbraw/zinc/76/63/73/455766373.db2.gz REBKNTLXHLPZRR-ZJSJBZJDSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000285078642 455785755 /nfs/dbraw/zinc/78/57/55/455785755.db2.gz KMBQXPUTFAWVDA-TZUVLKIQSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000285078642 455785759 /nfs/dbraw/zinc/78/57/59/455785759.db2.gz KMBQXPUTFAWVDA-TZUVLKIQSA-N 2 2 349.906 3.074 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(F)c3)[nH+]c2)CC1 ZINC000269128601 455794572 /nfs/dbraw/zinc/79/45/72/455794572.db2.gz HSFBKLUDVKNDKH-UHFFFAOYSA-N 2 2 328.435 3.363 20 0 EGADLP CC(C)n1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000269172392 455802953 /nfs/dbraw/zinc/80/29/53/455802953.db2.gz ZQDSCPVPVYJGNG-UHFFFAOYSA-N 2 2 342.491 3.002 20 0 EGADLP CC[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+](C)C ZINC000278278333 455804889 /nfs/dbraw/zinc/80/48/89/455804889.db2.gz ZLMJALHWNJHIQC-QGZVFWFLSA-N 2 2 326.444 3.165 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@H]1C ZINC000252644169 455824562 /nfs/dbraw/zinc/82/45/62/455824562.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCCC[C@H]1C ZINC000252644169 455824565 /nfs/dbraw/zinc/82/45/65/455824565.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 3 2 344.547 3.146 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000252644169 455824576 /nfs/dbraw/zinc/82/45/76/455824576.db2.gz NMLUFYRJVKJCHT-SFHLNBCPSA-N 3 2 344.547 3.146 20 0 EGADLP OC1CC[NH+](Cc2ccccc2CNc2cc[nH+]c3ccncc23)CC1 ZINC000269373468 455845832 /nfs/dbraw/zinc/84/58/32/455845832.db2.gz SSPYAWGLTBXYKJ-UHFFFAOYSA-N 2 2 348.450 3.199 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Cl)nc1 ZINC000272200380 455874472 /nfs/dbraw/zinc/87/44/72/455874472.db2.gz IXGWDJUOKGOHCL-XJKSGUPXSA-N 2 2 345.878 3.443 20 0 EGADLP c1ccc(OCCCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187164735 455876054 /nfs/dbraw/zinc/87/60/54/455876054.db2.gz QAPGLKHQYCRBGU-FQEVSTJZSA-N 2 2 346.515 3.280 20 0 EGADLP c1ccc(OCCCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000187164735 455876064 /nfs/dbraw/zinc/87/60/64/455876064.db2.gz QAPGLKHQYCRBGU-FQEVSTJZSA-N 2 2 346.515 3.280 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cscn1 ZINC000272208249 455876628 /nfs/dbraw/zinc/87/66/28/455876628.db2.gz KCSIAQQGCXKKRC-CYBMUJFWSA-N 2 2 331.489 3.242 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)s1 ZINC000296207425 455879722 /nfs/dbraw/zinc/87/97/22/455879722.db2.gz ZMMNTFBHCPHPNV-NSHDSACASA-N 2 2 348.859 3.325 20 0 EGADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000280092258 455889346 /nfs/dbraw/zinc/88/93/46/455889346.db2.gz MNZNTENWIWFSSO-HXUWFJFHSA-N 2 2 338.499 3.094 20 0 EGADLP COc1ccccc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272254912 455893566 /nfs/dbraw/zinc/89/35/66/455893566.db2.gz LADVBKDJKZZMBW-DOTOQJQBSA-N 2 2 340.471 3.404 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366485 455901510 /nfs/dbraw/zinc/90/15/10/455901510.db2.gz NOMSEPYJGOSYQZ-HXUWFJFHSA-N 2 2 344.478 3.377 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366485 455901517 /nfs/dbraw/zinc/90/15/17/455901517.db2.gz NOMSEPYJGOSYQZ-HXUWFJFHSA-N 2 2 344.478 3.377 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366485 455901521 /nfs/dbraw/zinc/90/15/21/455901521.db2.gz NOMSEPYJGOSYQZ-HXUWFJFHSA-N 2 2 344.478 3.377 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366485 455901530 /nfs/dbraw/zinc/90/15/30/455901530.db2.gz NOMSEPYJGOSYQZ-HXUWFJFHSA-N 2 2 344.478 3.377 20 0 EGADLP CC(C)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCCCC1 ZINC000194977462 455908351 /nfs/dbraw/zinc/90/83/51/455908351.db2.gz GWEISIRZABLSRJ-RTBURBONSA-N 2 2 341.503 3.384 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Br)C[C@H]12 ZINC000261561646 455909336 /nfs/dbraw/zinc/90/93/36/455909336.db2.gz GBVQTEHSTMFAAL-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Br)C[C@H]12 ZINC000261561646 455909343 /nfs/dbraw/zinc/90/93/43/455909343.db2.gz GBVQTEHSTMFAAL-LJWDBELGSA-N 2 2 329.669 3.272 20 0 EGADLP CC(C)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCC(C)CC1 ZINC000194981021 455909568 /nfs/dbraw/zinc/90/95/68/455909568.db2.gz APOQGCQNDODMIW-OALUTQOASA-N 2 2 341.503 3.240 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261669528 455925409 /nfs/dbraw/zinc/92/54/09/455925409.db2.gz GGFYWJORARIRBG-SFHVURJKSA-N 2 2 331.485 3.380 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)cs2)cc1 ZINC000261669528 455925415 /nfs/dbraw/zinc/92/54/15/455925415.db2.gz GGFYWJORARIRBG-SFHVURJKSA-N 2 2 331.485 3.380 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]c2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000280258421 455929920 /nfs/dbraw/zinc/92/99/20/455929920.db2.gz MGZIILLDHABVIF-RLFYNMQTSA-N 2 2 334.460 3.017 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OC(F)F ZINC000261850278 455959107 /nfs/dbraw/zinc/95/91/07/455959107.db2.gz ZSWKUMHLBDGDOX-JSGCOSHPSA-N 2 2 328.403 3.388 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])ccc1OC(F)F ZINC000261850278 455959111 /nfs/dbraw/zinc/95/91/11/455959111.db2.gz ZSWKUMHLBDGDOX-JSGCOSHPSA-N 2 2 328.403 3.388 20 0 EGADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000261871088 455962427 /nfs/dbraw/zinc/96/24/27/455962427.db2.gz SHJBMIFMTCGDSO-QWHCGFSZSA-N 2 2 345.830 3.337 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3Br)C[C@H]21 ZINC000261973663 455980256 /nfs/dbraw/zinc/98/02/56/455980256.db2.gz QPFJKJMEGQPNCC-UEKVPHQBSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3Br)C[C@H]21 ZINC000261973663 455980261 /nfs/dbraw/zinc/98/02/61/455980261.db2.gz QPFJKJMEGQPNCC-UEKVPHQBSA-N 2 2 327.241 3.147 20 0 EGADLP C[C@H]1CCC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1C[NH3+] ZINC000261974186 455980364 /nfs/dbraw/zinc/98/03/64/455980364.db2.gz QMLSQLUBQUSFEI-SMDDNHRTSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H]1C[NH3+] ZINC000261974186 455980367 /nfs/dbraw/zinc/98/03/67/455980367.db2.gz QMLSQLUBQUSFEI-SMDDNHRTSA-N 2 2 344.286 3.381 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652279 455991690 /nfs/dbraw/zinc/99/16/90/455991690.db2.gz YOAZGFNQPMKPSG-FCHUYYIVSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C)cc1 ZINC000195652279 455991694 /nfs/dbraw/zinc/99/16/94/455991694.db2.gz YOAZGFNQPMKPSG-FCHUYYIVSA-N 2 2 338.495 3.455 20 0 EGADLP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC[NH2+]1 ZINC000262370037 456029737 /nfs/dbraw/zinc/02/97/37/456029737.db2.gz JXBIWOPYTPADFP-KBPBESRZSA-N 2 2 326.444 3.089 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000272674954 456034826 /nfs/dbraw/zinc/03/48/26/456034826.db2.gz LZCJBYYVQMYJGX-AWEZNQCLSA-N 2 2 349.466 3.357 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)CC3 ZINC000272905643 456107517 /nfs/dbraw/zinc/10/75/17/456107517.db2.gz KWGKBDMPPPRWME-QTCYRWPVSA-N 2 2 339.483 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)CC3 ZINC000272905643 456107520 /nfs/dbraw/zinc/10/75/20/456107520.db2.gz KWGKBDMPPPRWME-QTCYRWPVSA-N 2 2 339.483 3.106 20 0 EGADLP CCc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301503236 456131942 /nfs/dbraw/zinc/13/19/42/456131942.db2.gz BRZBEAFUMGTNMQ-SJORKVTESA-N 2 2 325.460 3.386 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000301519132 456135573 /nfs/dbraw/zinc/13/55/73/456135573.db2.gz HEPRSGXNIVLMAF-DLBZAZTESA-N 2 2 325.460 3.440 20 0 EGADLP Cc1nc(CC[N@@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)no1 ZINC000271161720 456150022 /nfs/dbraw/zinc/15/00/22/456150022.db2.gz IXQRWRQIXCTPSG-UHFFFAOYSA-N 2 2 330.476 3.011 20 0 EGADLP Cc1nc(CC[N@H+](C)CC(C)(C)C[NH+](C)Cc2ccccc2)no1 ZINC000271161720 456150025 /nfs/dbraw/zinc/15/00/25/456150025.db2.gz IXQRWRQIXCTPSG-UHFFFAOYSA-N 2 2 330.476 3.011 20 0 EGADLP Cc1nc(CC[NH+](C)CC(C)(C)C[N@H+](C)Cc2ccccc2)no1 ZINC000271161720 456150028 /nfs/dbraw/zinc/15/00/28/456150028.db2.gz IXQRWRQIXCTPSG-UHFFFAOYSA-N 2 2 330.476 3.011 20 0 EGADLP Cc1nc(CC[NH+](C)CC(C)(C)C[N@@H+](C)Cc2ccccc2)no1 ZINC000271161720 456150030 /nfs/dbraw/zinc/15/00/30/456150030.db2.gz IXQRWRQIXCTPSG-UHFFFAOYSA-N 2 2 330.476 3.011 20 0 EGADLP Clc1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000271166090 456150618 /nfs/dbraw/zinc/15/06/18/456150618.db2.gz CLIBOLDSDDHETG-CQSZACIVSA-N 2 2 334.847 3.240 20 0 EGADLP Clc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000271166090 456150623 /nfs/dbraw/zinc/15/06/23/456150623.db2.gz CLIBOLDSDDHETG-CQSZACIVSA-N 2 2 334.847 3.240 20 0 EGADLP COc1cccc([C@@H](C)[NH+]2CCN(c3nc(C)[nH+]c(C)c3C)CC2)c1 ZINC000301630847 456168916 /nfs/dbraw/zinc/16/89/16/456168916.db2.gz BKIVOAMWFHUXRP-MRXNPFEDSA-N 2 2 340.471 3.294 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000271207622 456173554 /nfs/dbraw/zinc/17/35/54/456173554.db2.gz WYIHSIJSXCYEMO-UHFFFAOYSA-N 2 2 346.446 3.364 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000271207622 456173560 /nfs/dbraw/zinc/17/35/60/456173560.db2.gz WYIHSIJSXCYEMO-UHFFFAOYSA-N 2 2 346.446 3.364 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281287627 456190550 /nfs/dbraw/zinc/19/05/50/456190550.db2.gz JBWIJQNYLUFVHV-IRXDYDNUSA-N 2 2 339.487 3.010 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000281287627 456190555 /nfs/dbraw/zinc/19/05/55/456190555.db2.gz JBWIJQNYLUFVHV-IRXDYDNUSA-N 2 2 339.487 3.010 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)n1-c1ccccc1 ZINC000189009110 456198407 /nfs/dbraw/zinc/19/84/07/456198407.db2.gz YDLASLQGNYQYGO-IBGZPJMESA-N 2 2 335.451 3.182 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000297384142 456207208 /nfs/dbraw/zinc/20/72/08/456207208.db2.gz ISAZDQDEETWOCY-WFASDCNBSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000297384142 456207214 /nfs/dbraw/zinc/20/72/14/456207214.db2.gz ISAZDQDEETWOCY-WFASDCNBSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000297384142 456207219 /nfs/dbraw/zinc/20/72/19/456207219.db2.gz ISAZDQDEETWOCY-WFASDCNBSA-N 2 2 332.517 3.354 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000297384142 456207225 /nfs/dbraw/zinc/20/72/25/456207225.db2.gz ISAZDQDEETWOCY-WFASDCNBSA-N 2 2 332.517 3.354 20 0 EGADLP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271296735 456210800 /nfs/dbraw/zinc/21/08/00/456210800.db2.gz NTKAJHXEBNEQDD-IRXDYDNUSA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccccc1OCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271296735 456210803 /nfs/dbraw/zinc/21/08/03/456210803.db2.gz NTKAJHXEBNEQDD-IRXDYDNUSA-N 2 2 329.444 3.244 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000273215657 456218047 /nfs/dbraw/zinc/21/80/47/456218047.db2.gz MBYKARWVMSCCGG-INIZCTEOSA-N 2 2 346.519 3.101 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301872527 456237204 /nfs/dbraw/zinc/23/72/04/456237204.db2.gz HRHVXECBFAXWFI-CQSZACIVSA-N 2 2 330.480 3.258 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301872527 456237211 /nfs/dbraw/zinc/23/72/11/456237211.db2.gz HRHVXECBFAXWFI-CQSZACIVSA-N 2 2 330.480 3.258 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(Cl)c1F ZINC000624124172 460872100 /nfs/dbraw/zinc/87/21/00/460872100.db2.gz ZCBGZXNECRMCBK-BBRMVZONSA-N 2 2 328.859 3.488 20 0 EGADLP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(Cl)c1F ZINC000624124172 460872104 /nfs/dbraw/zinc/87/21/04/460872104.db2.gz ZCBGZXNECRMCBK-BBRMVZONSA-N 2 2 328.859 3.488 20 0 EGADLP Cc1cn2ccc(NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)cc2[nH+]1 ZINC000620651032 460721806 /nfs/dbraw/zinc/72/18/06/460721806.db2.gz IHKXXAVSLIZSAO-LJQANCHMSA-N 2 2 348.450 3.461 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787163 456263165 /nfs/dbraw/zinc/26/31/65/456263165.db2.gz FOACYHHOBDXKIJ-CCNNMRHTSA-N 3 2 331.548 3.040 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCC12CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000340173119 456288241 /nfs/dbraw/zinc/28/82/41/456288241.db2.gz OMBZREWPMVWPFE-UXHICEINSA-N 2 2 328.500 3.108 20 0 EGADLP O[C@H](C[NH2+][C@H]1CCCC12CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000340173119 456288248 /nfs/dbraw/zinc/28/82/48/456288248.db2.gz OMBZREWPMVWPFE-UXHICEINSA-N 2 2 328.500 3.108 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340172603 456289313 /nfs/dbraw/zinc/28/93/13/456289313.db2.gz SUWQABVYDKEHKJ-NQIIRXRSSA-N 2 2 340.515 3.222 20 0 EGADLP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340172603 456289320 /nfs/dbraw/zinc/28/93/20/456289320.db2.gz SUWQABVYDKEHKJ-NQIIRXRSSA-N 2 2 340.515 3.222 20 0 EGADLP Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352772823 456293799 /nfs/dbraw/zinc/29/37/99/456293799.db2.gz SEUQBYPVHSPLQP-OAHLLOKOSA-N 2 2 333.501 3.379 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000352778521 456298290 /nfs/dbraw/zinc/29/82/90/456298290.db2.gz HOFQQOBOTANBLW-SJLPKXTDSA-N 2 2 331.485 3.215 20 0 EGADLP COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000347677424 456300527 /nfs/dbraw/zinc/30/05/27/456300527.db2.gz HOIUPVGYGCXATJ-UHFFFAOYSA-N 2 2 349.434 3.090 20 0 EGADLP COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000347677424 456300532 /nfs/dbraw/zinc/30/05/32/456300532.db2.gz HOIUPVGYGCXATJ-UHFFFAOYSA-N 2 2 349.434 3.090 20 0 EGADLP CC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1F ZINC000352785532 456307210 /nfs/dbraw/zinc/30/72/10/456307210.db2.gz HBRQTLDWCSFKHZ-CYBMUJFWSA-N 2 2 337.464 3.291 20 0 EGADLP COc1cncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000290390820 456314690 /nfs/dbraw/zinc/31/46/90/456314690.db2.gz SFWSRUSAQQXVDD-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000290390820 456314695 /nfs/dbraw/zinc/31/46/95/456314695.db2.gz SFWSRUSAQQXVDD-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000290390820 456314700 /nfs/dbraw/zinc/31/47/00/456314700.db2.gz SFWSRUSAQQXVDD-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000290390820 456314704 /nfs/dbraw/zinc/31/47/04/456314704.db2.gz SFWSRUSAQQXVDD-SFHVURJKSA-N 2 2 325.456 3.044 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340223315 456323650 /nfs/dbraw/zinc/32/36/50/456323650.db2.gz QUHWOSLEMVSRGY-MSOLQXFVSA-N 2 2 335.536 3.022 20 0 EGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000340223315 456323655 /nfs/dbraw/zinc/32/36/55/456323655.db2.gz QUHWOSLEMVSRGY-MSOLQXFVSA-N 2 2 335.536 3.022 20 0 EGADLP c1cc(N2CCC([NH2+]c3ccc(O[C@@H]4CCOC4)cc3)CC2)cc[nH+]1 ZINC000297935990 456328328 /nfs/dbraw/zinc/32/83/28/456328328.db2.gz UVRANAYWMSXGET-HXUWFJFHSA-N 2 2 339.439 3.330 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@@H+]1CC(C)(C)O ZINC000302475778 456346363 /nfs/dbraw/zinc/34/63/63/456346363.db2.gz DZTPMVISPVDIMG-CYBMUJFWSA-N 2 2 333.863 3.170 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@H+]1CC(C)(C)O ZINC000302475778 456346368 /nfs/dbraw/zinc/34/63/68/456346368.db2.gz DZTPMVISPVDIMG-CYBMUJFWSA-N 2 2 333.863 3.170 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340260965 456348138 /nfs/dbraw/zinc/34/81/38/456348138.db2.gz TUNGTNJUWHIBOF-RTBURBONSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)Cn1ccnc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340260965 456348142 /nfs/dbraw/zinc/34/81/42/456348142.db2.gz TUNGTNJUWHIBOF-RTBURBONSA-N 2 2 326.488 3.464 20 0 EGADLP c1ccc(COc2cnccc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298097356 456364454 /nfs/dbraw/zinc/36/44/54/456364454.db2.gz NFIKDEUYJUBVGC-UHFFFAOYSA-N 2 2 337.467 3.377 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000347787685 456369001 /nfs/dbraw/zinc/36/90/01/456369001.db2.gz XAUIKSULDMZFGB-APWZRJJASA-N 2 2 340.467 3.401 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000347787685 456369003 /nfs/dbraw/zinc/36/90/03/456369003.db2.gz XAUIKSULDMZFGB-APWZRJJASA-N 2 2 340.467 3.401 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000340299555 456370697 /nfs/dbraw/zinc/37/06/97/456370697.db2.gz ZQZFRRVHQKDQLM-UFYCRDLUSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000340299555 456370705 /nfs/dbraw/zinc/37/07/05/456370705.db2.gz ZQZFRRVHQKDQLM-UFYCRDLUSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340298836 456371546 /nfs/dbraw/zinc/37/15/46/456371546.db2.gz QSIOUINACMNJRB-ZCNNSNEGSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340298836 456371551 /nfs/dbraw/zinc/37/15/51/456371551.db2.gz QSIOUINACMNJRB-ZCNNSNEGSA-N 2 2 328.431 3.284 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)s1 ZINC000347855372 456407247 /nfs/dbraw/zinc/40/72/47/456407247.db2.gz MYFNKESGSBFELY-SFHVURJKSA-N 2 2 345.512 3.077 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)s1 ZINC000347855372 456407249 /nfs/dbraw/zinc/40/72/49/456407249.db2.gz MYFNKESGSBFELY-SFHVURJKSA-N 2 2 345.512 3.077 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000337648276 456455199 /nfs/dbraw/zinc/45/51/99/456455199.db2.gz JRDMITYMVSAPAM-FQEVSTJZSA-N 2 2 345.531 3.449 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000337648276 456455204 /nfs/dbraw/zinc/45/52/04/456455204.db2.gz JRDMITYMVSAPAM-FQEVSTJZSA-N 2 2 345.531 3.449 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)O[C@@H](C)C2 ZINC000337672175 456473984 /nfs/dbraw/zinc/47/39/84/456473984.db2.gz YEUNPHQEGSDRNY-BMGDILEWSA-N 2 2 330.472 3.125 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)O[C@@H](C)C2 ZINC000337672175 456473990 /nfs/dbraw/zinc/47/39/90/456473990.db2.gz YEUNPHQEGSDRNY-BMGDILEWSA-N 2 2 330.472 3.125 20 0 EGADLP CCOC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000340464195 456475779 /nfs/dbraw/zinc/47/57/79/456475779.db2.gz JJVOPXHICWPUCE-MJGOQNOKSA-N 2 2 331.504 3.231 20 0 EGADLP CCOC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000340464195 456475786 /nfs/dbraw/zinc/47/57/86/456475786.db2.gz JJVOPXHICWPUCE-MJGOQNOKSA-N 2 2 331.504 3.231 20 0 EGADLP Fc1ccc(/C=C/CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1F ZINC000353124951 456507225 /nfs/dbraw/zinc/50/72/25/456507225.db2.gz ZTFMFQODPDVAJX-OWOJBTEDSA-N 2 2 326.350 3.152 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)no1 ZINC000340541061 456521645 /nfs/dbraw/zinc/52/16/45/456521645.db2.gz IJRGUBHHVFOXPX-ULQDDVLXSA-N 2 2 343.471 3.443 20 0 EGADLP Cc1ccn2c(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cnc2c1 ZINC000348187554 456524915 /nfs/dbraw/zinc/52/49/15/456524915.db2.gz OYHZYTBOWXMLMZ-UHFFFAOYSA-N 2 2 331.423 3.177 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000276653064 456542854 /nfs/dbraw/zinc/54/28/54/456542854.db2.gz WWIJVMUFCXAAAD-DKRLNXSXSA-N 2 2 344.846 3.030 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCCC1 ZINC000340582224 456545402 /nfs/dbraw/zinc/54/54/02/456545402.db2.gz FGWNPRHOYQIJNT-CXAGYDPISA-N 2 2 343.298 3.417 20 0 EGADLP C[N@H+](CCNC1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1 ZINC000291200231 456563640 /nfs/dbraw/zinc/56/36/40/456563640.db2.gz QBTZHCVUIBHXBF-UHFFFAOYSA-N 2 2 343.437 3.125 20 0 EGADLP C[N@@H+](CCNC1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1 ZINC000291200231 456563644 /nfs/dbraw/zinc/56/36/44/456563644.db2.gz QBTZHCVUIBHXBF-UHFFFAOYSA-N 2 2 343.437 3.125 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1Cl ZINC000276773008 456575891 /nfs/dbraw/zinc/57/58/91/456575891.db2.gz YLWJIASZDWAQJM-OAGJVSPASA-N 2 2 346.862 3.276 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cn(C)nc1C(F)F)[N@H+](C)Cc1ccccc1 ZINC000291265277 456584337 /nfs/dbraw/zinc/58/43/37/456584337.db2.gz SQAUQCXRJGKEQT-AWEZNQCLSA-N 2 2 336.430 3.358 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cn(C)nc1C(F)F)[N@@H+](C)Cc1ccccc1 ZINC000291265277 456584344 /nfs/dbraw/zinc/58/43/44/456584344.db2.gz SQAUQCXRJGKEQT-AWEZNQCLSA-N 2 2 336.430 3.358 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348272078 456588027 /nfs/dbraw/zinc/58/80/27/456588027.db2.gz XPRBJZDMXIQSIV-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348272078 456588032 /nfs/dbraw/zinc/58/80/32/456588032.db2.gz XPRBJZDMXIQSIV-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348272078 456588036 /nfs/dbraw/zinc/58/80/36/456588036.db2.gz XPRBJZDMXIQSIV-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348272078 456588040 /nfs/dbraw/zinc/58/80/40/456588040.db2.gz XPRBJZDMXIQSIV-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP C[NH+](C)CC[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000343458911 456635955 /nfs/dbraw/zinc/63/59/55/456635955.db2.gz RXQIUNXHJKJLFI-SFHVURJKSA-N 2 2 342.487 3.028 20 0 EGADLP Cc1ccc(CCC[NH+]2CCN(c3ccc(Cl)cn3)CC2)c[nH+]1 ZINC000353365218 456650711 /nfs/dbraw/zinc/65/07/11/456650711.db2.gz USDPVBCGAZMESC-UHFFFAOYSA-N 2 2 330.863 3.193 20 0 EGADLP CC[C@H](O)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000291671695 456715400 /nfs/dbraw/zinc/71/54/00/456715400.db2.gz GPIORWOKHNOLFU-SFHVURJKSA-N 2 2 339.439 3.082 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277252970 456745152 /nfs/dbraw/zinc/74/51/52/456745152.db2.gz QJLWJULRWUNJKP-SQGPQFPESA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277252970 456745158 /nfs/dbraw/zinc/74/51/58/456745158.db2.gz QJLWJULRWUNJKP-SQGPQFPESA-N 2 2 345.531 3.231 20 0 EGADLP Cc1ccn2c(CN3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c[nH+]c2c1 ZINC000353572005 456771078 /nfs/dbraw/zinc/77/10/78/456771078.db2.gz ZMRVRRBZIVLLJB-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccn2c(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c[nH+]c2c1 ZINC000353572005 456771083 /nfs/dbraw/zinc/77/10/83/456771083.db2.gz ZMRVRRBZIVLLJB-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343983119 456786749 /nfs/dbraw/zinc/78/67/49/456786749.db2.gz LJDSESRUAHKLCL-IVMQYODDSA-N 2 2 332.488 3.218 20 0 EGADLP CCOC(=O)C1CCC([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343983119 456786755 /nfs/dbraw/zinc/78/67/55/456786755.db2.gz LJDSESRUAHKLCL-IVMQYODDSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@H]1OCCc2sccc21 ZINC000291890521 456788728 /nfs/dbraw/zinc/78/87/28/456788728.db2.gz KLOWANVAQACVST-AUUYWEPGSA-N 2 2 343.496 3.404 20 0 EGADLP Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc(C(C)C)[nH+]1 ZINC000301074918 456789612 /nfs/dbraw/zinc/78/96/12/456789612.db2.gz OIJMNRCXKMMDGE-UHFFFAOYSA-N 2 2 340.471 3.353 20 0 EGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000348640188 456794997 /nfs/dbraw/zinc/79/49/97/456794997.db2.gz HUCMVLVUSYYYJT-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP COc1ccncc1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000353611002 456802613 /nfs/dbraw/zinc/80/26/13/456802613.db2.gz YTVLDDVAVVVMIR-UHFFFAOYSA-N 2 2 327.472 3.338 20 0 EGADLP COc1ccncc1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000353611002 456802620 /nfs/dbraw/zinc/80/26/20/456802620.db2.gz YTVLDDVAVVVMIR-UHFFFAOYSA-N 2 2 327.472 3.338 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCOCC(F)(F)C(F)F)n1-c1ccccc1 ZINC000277422394 456819465 /nfs/dbraw/zinc/81/94/65/456819465.db2.gz AXBXALFIXAOOMJ-UHFFFAOYSA-N 2 2 345.340 3.187 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000344449557 456828477 /nfs/dbraw/zinc/82/84/77/456828477.db2.gz PJTZYLLPZBWJIE-HOJAQTOUSA-N 2 2 341.499 3.383 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000344449557 456828483 /nfs/dbraw/zinc/82/84/83/456828483.db2.gz PJTZYLLPZBWJIE-HOJAQTOUSA-N 2 2 341.499 3.383 20 0 EGADLP CCc1nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000283723915 456829825 /nfs/dbraw/zinc/82/98/25/456829825.db2.gz GRPDFVZOEZMUSX-UHFFFAOYSA-N 2 2 347.466 3.349 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660615 456838658 /nfs/dbraw/zinc/83/86/58/456838658.db2.gz MYYSPKADCPDSKP-ROUUACIJSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660615 456838662 /nfs/dbraw/zinc/83/86/62/456838662.db2.gz MYYSPKADCPDSKP-ROUUACIJSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660615 456838667 /nfs/dbraw/zinc/83/86/67/456838667.db2.gz MYYSPKADCPDSKP-ROUUACIJSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)C[C@@H]1C ZINC000353660615 456838671 /nfs/dbraw/zinc/83/86/71/456838671.db2.gz MYYSPKADCPDSKP-ROUUACIJSA-N 2 2 326.488 3.485 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000353680365 456850805 /nfs/dbraw/zinc/85/08/05/456850805.db2.gz UCEBTYVFZYFJLO-UKRRQHHQSA-N 2 2 341.415 3.178 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353680066 456851181 /nfs/dbraw/zinc/85/11/81/456851181.db2.gz RDVQEXCTKVYLFQ-INIZCTEOSA-N 2 2 329.448 3.110 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353680066 456851184 /nfs/dbraw/zinc/85/11/84/456851184.db2.gz RDVQEXCTKVYLFQ-INIZCTEOSA-N 2 2 329.448 3.110 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@@H+]1C1CC1 ZINC000344975257 456884575 /nfs/dbraw/zinc/88/45/75/456884575.db2.gz QEUHAGLEFKBMAZ-APWZRJJASA-N 2 2 337.467 3.375 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@H+]1C1CC1 ZINC000344975257 456884578 /nfs/dbraw/zinc/88/45/78/456884578.db2.gz QEUHAGLEFKBMAZ-APWZRJJASA-N 2 2 337.467 3.375 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749587 456887285 /nfs/dbraw/zinc/88/72/85/456887285.db2.gz VQZWYVGLXCAVMT-LSDHHAIUSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749587 456887287 /nfs/dbraw/zinc/88/72/87/456887287.db2.gz VQZWYVGLXCAVMT-LSDHHAIUSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749587 456887292 /nfs/dbraw/zinc/88/72/92/456887292.db2.gz VQZWYVGLXCAVMT-LSDHHAIUSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC000353749587 456887295 /nfs/dbraw/zinc/88/72/95/456887295.db2.gz VQZWYVGLXCAVMT-LSDHHAIUSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@@H]1C ZINC000353753053 456890850 /nfs/dbraw/zinc/89/08/50/456890850.db2.gz UVEQNUPSNLQINI-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@@H]1C ZINC000353753053 456890851 /nfs/dbraw/zinc/89/08/51/456890851.db2.gz UVEQNUPSNLQINI-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@@H]1C ZINC000353753053 456890853 /nfs/dbraw/zinc/89/08/53/456890853.db2.gz UVEQNUPSNLQINI-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc3c2O[C@@H](C)C3)C[C@@H]1C ZINC000353753053 456890854 /nfs/dbraw/zinc/89/08/54/456890854.db2.gz UVEQNUPSNLQINI-MPGHIAIKSA-N 2 2 332.488 3.323 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1OC ZINC000349186537 456906825 /nfs/dbraw/zinc/90/68/25/456906825.db2.gz JXDZWXRMEHAVTO-CYBMUJFWSA-N 2 2 335.835 3.080 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1OC ZINC000349186537 456906828 /nfs/dbraw/zinc/90/68/28/456906828.db2.gz JXDZWXRMEHAVTO-CYBMUJFWSA-N 2 2 335.835 3.080 20 0 EGADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000339073367 456928099 /nfs/dbraw/zinc/92/80/99/456928099.db2.gz ZHGUZDHIVNXSAC-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCCC1 ZINC000339073367 456928105 /nfs/dbraw/zinc/92/81/05/456928105.db2.gz ZHGUZDHIVNXSAC-UHFFFAOYSA-N 2 2 349.544 3.047 20 0 EGADLP COCc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000339101995 456941102 /nfs/dbraw/zinc/94/11/02/456941102.db2.gz IILHIFYOXLLSHG-RTWAWAEBSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000339101995 456941104 /nfs/dbraw/zinc/94/11/04/456941104.db2.gz IILHIFYOXLLSHG-RTWAWAEBSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000339101995 456941105 /nfs/dbraw/zinc/94/11/05/456941105.db2.gz IILHIFYOXLLSHG-RTWAWAEBSA-N 2 2 339.483 3.353 20 0 EGADLP COCc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000339101995 456941107 /nfs/dbraw/zinc/94/11/07/456941107.db2.gz IILHIFYOXLLSHG-RTWAWAEBSA-N 2 2 339.483 3.353 20 0 EGADLP C[NH+](C)CCN(Cc1cccs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349328705 456944223 /nfs/dbraw/zinc/94/42/23/456944223.db2.gz GUMFRPNOVDDFDC-UHFFFAOYSA-N 2 2 340.496 3.498 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000353901401 456958402 /nfs/dbraw/zinc/95/84/02/456958402.db2.gz RTPHVXZWRBTQCK-GFCCVEGCSA-N 2 2 335.249 3.226 20 0 EGADLP Clc1cccc([C@H](CNc2[nH+]cnc3[nH]ccc32)[NH+]2CCCC2)c1 ZINC000339137873 456959395 /nfs/dbraw/zinc/95/93/95/456959395.db2.gz VQRRDGSAWVJGDY-INIZCTEOSA-N 2 2 341.846 3.282 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c[nH+]1 ZINC000353935340 456971525 /nfs/dbraw/zinc/97/15/25/456971525.db2.gz VZFRYYUJFBJDAW-SFHVURJKSA-N 2 2 345.512 3.047 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974865 456986164 /nfs/dbraw/zinc/98/61/64/456986164.db2.gz SWIRHCQDYFJGIF-OAHLLOKOSA-N 2 2 349.548 3.386 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974865 456986167 /nfs/dbraw/zinc/98/61/67/456986167.db2.gz SWIRHCQDYFJGIF-OAHLLOKOSA-N 2 2 349.548 3.386 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974865 456986169 /nfs/dbraw/zinc/98/61/69/456986169.db2.gz SWIRHCQDYFJGIF-OAHLLOKOSA-N 2 2 349.548 3.386 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974865 456986171 /nfs/dbraw/zinc/98/61/71/456986171.db2.gz SWIRHCQDYFJGIF-OAHLLOKOSA-N 2 2 349.548 3.386 20 0 EGADLP C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCCCCC1 ZINC000341888866 456988156 /nfs/dbraw/zinc/98/81/56/456988156.db2.gz NOWHKHIEHQKFQW-SFHVURJKSA-N 2 2 346.519 3.166 20 0 EGADLP Clc1cnc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000349700070 457020547 /nfs/dbraw/zinc/02/05/47/457020547.db2.gz IEVWSKVNYXACLS-HNNXBMFYSA-N 2 2 335.904 3.451 20 0 EGADLP Clc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000349700070 457020555 /nfs/dbraw/zinc/02/05/55/457020555.db2.gz IEVWSKVNYXACLS-HNNXBMFYSA-N 2 2 335.904 3.451 20 0 EGADLP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663357 457032108 /nfs/dbraw/zinc/03/21/08/457032108.db2.gz LFRJCKYWAYNCMF-HKUYNNGSSA-N 2 2 339.487 3.433 20 0 EGADLP Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663357 457032110 /nfs/dbraw/zinc/03/21/10/457032110.db2.gz LFRJCKYWAYNCMF-HKUYNNGSSA-N 2 2 339.487 3.433 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000356563011 457057905 /nfs/dbraw/zinc/05/79/05/457057905.db2.gz LSURVHKRQFMLEE-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000356563011 457057909 /nfs/dbraw/zinc/05/79/09/457057909.db2.gz LSURVHKRQFMLEE-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000356563011 457057911 /nfs/dbraw/zinc/05/79/11/457057911.db2.gz LSURVHKRQFMLEE-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000356563011 457057916 /nfs/dbraw/zinc/05/79/16/457057916.db2.gz LSURVHKRQFMLEE-MOPGFXCFSA-N 2 2 337.552 3.218 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571816 457062703 /nfs/dbraw/zinc/06/27/03/457062703.db2.gz FMJIWLYLRDSPFC-RTBURBONSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571816 457062707 /nfs/dbraw/zinc/06/27/07/457062707.db2.gz FMJIWLYLRDSPFC-RTBURBONSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571816 457062712 /nfs/dbraw/zinc/06/27/12/457062712.db2.gz FMJIWLYLRDSPFC-RTBURBONSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571816 457062719 /nfs/dbraw/zinc/06/27/19/457062719.db2.gz FMJIWLYLRDSPFC-RTBURBONSA-N 2 2 343.515 3.236 20 0 EGADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000356574855 457063605 /nfs/dbraw/zinc/06/36/05/457063605.db2.gz JMMZKFLRVUIGCE-HKUYNNGSSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000356574855 457063614 /nfs/dbraw/zinc/06/36/14/457063614.db2.gz JMMZKFLRVUIGCE-HKUYNNGSSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356574855 457063620 /nfs/dbraw/zinc/06/36/20/457063620.db2.gz JMMZKFLRVUIGCE-HKUYNNGSSA-N 2 2 343.515 3.133 20 0 EGADLP CNC(=O)c1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000356574855 457063626 /nfs/dbraw/zinc/06/36/26/457063626.db2.gz JMMZKFLRVUIGCE-HKUYNNGSSA-N 2 2 343.515 3.133 20 0 EGADLP COc1ccc(C[NH2+]CC[N@H+](C)Cc2ccccc2)c(C)c1OC ZINC000342057368 457084961 /nfs/dbraw/zinc/08/49/61/457084961.db2.gz GQBQXVRYPULBAR-UHFFFAOYSA-N 2 2 328.456 3.234 20 0 EGADLP COc1ccc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)c(C)c1OC ZINC000342057368 457084963 /nfs/dbraw/zinc/08/49/63/457084963.db2.gz GQBQXVRYPULBAR-UHFFFAOYSA-N 2 2 328.456 3.234 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000359525918 457092990 /nfs/dbraw/zinc/09/29/90/457092990.db2.gz SXSJMSGVWFRULO-QUCCMNQESA-N 2 2 332.488 3.019 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000354157346 457099562 /nfs/dbraw/zinc/09/95/62/457099562.db2.gz HMPUJBSPQYZLEN-UHFFFAOYSA-N 2 2 343.358 3.071 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661889 457100074 /nfs/dbraw/zinc/10/00/74/457100074.db2.gz UKGHUYVULVJLJV-WEYGHZABSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000346661889 457100077 /nfs/dbraw/zinc/10/00/77/457100077.db2.gz UKGHUYVULVJLJV-WEYGHZABSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000346661889 457100083 /nfs/dbraw/zinc/10/00/83/457100083.db2.gz UKGHUYVULVJLJV-WEYGHZABSA-N 2 2 341.543 3.284 20 0 EGADLP CC(C)[C@H](CN[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000346661889 457100088 /nfs/dbraw/zinc/10/00/88/457100088.db2.gz UKGHUYVULVJLJV-WEYGHZABSA-N 2 2 341.543 3.284 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)CCC2 ZINC000359669415 457107965 /nfs/dbraw/zinc/10/79/65/457107965.db2.gz CRJRNXUSFCMDAH-TWOQFEAHSA-N 2 2 332.488 3.162 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)s3)C2)C1 ZINC000339427471 457110307 /nfs/dbraw/zinc/11/03/07/457110307.db2.gz VIHWIRBAJFVCQK-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)s3)C2)C1 ZINC000339427471 457110311 /nfs/dbraw/zinc/11/03/11/457110311.db2.gz VIHWIRBAJFVCQK-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Br)s3)C2)C1 ZINC000339427471 457110317 /nfs/dbraw/zinc/11/03/17/457110317.db2.gz VIHWIRBAJFVCQK-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Br)s3)C2)C1 ZINC000339427471 457110320 /nfs/dbraw/zinc/11/03/20/457110320.db2.gz VIHWIRBAJFVCQK-CQSZACIVSA-N 2 2 329.307 3.428 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178057 457113730 /nfs/dbraw/zinc/11/37/30/457113730.db2.gz TUKSJGJXRDWCEL-HXUWFJFHSA-N 2 2 331.479 3.344 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178057 457113734 /nfs/dbraw/zinc/11/37/34/457113734.db2.gz TUKSJGJXRDWCEL-HXUWFJFHSA-N 2 2 331.479 3.344 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178057 457113738 /nfs/dbraw/zinc/11/37/38/457113738.db2.gz TUKSJGJXRDWCEL-HXUWFJFHSA-N 2 2 331.479 3.344 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(F)cccc3N3CCCC3)C2)C1 ZINC000354178057 457113742 /nfs/dbraw/zinc/11/37/42/457113742.db2.gz TUKSJGJXRDWCEL-HXUWFJFHSA-N 2 2 331.479 3.344 20 0 EGADLP CC(C)N(C)c1ccc(CNc2cccc(OCC[NH+](C)C)c2)c[nH+]1 ZINC000359697996 457118214 /nfs/dbraw/zinc/11/82/14/457118214.db2.gz UVHURALVXGABPT-UHFFFAOYSA-N 2 2 342.487 3.479 20 0 EGADLP Fc1ccc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC000346792775 457172848 /nfs/dbraw/zinc/17/28/48/457172848.db2.gz JWWYGZZHYKWHNF-UHFFFAOYSA-N 2 2 325.431 3.464 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3C[C@H]3C(F)F)c[nH+]c12 ZINC000342235266 457185220 /nfs/dbraw/zinc/18/52/20/457185220.db2.gz VCTAGVWUFOHXLN-MNOVXSKESA-N 2 2 330.176 3.148 20 0 EGADLP [NH3+]CC[N@H+](CCO)CCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000342400638 457282648 /nfs/dbraw/zinc/28/26/48/457282648.db2.gz LKSYJDVBHSNZMM-UHFFFAOYSA-N 2 2 348.437 3.130 20 0 EGADLP [NH3+]CC[N@@H+](CCO)CCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000342400638 457282654 /nfs/dbraw/zinc/28/26/54/457282654.db2.gz LKSYJDVBHSNZMM-UHFFFAOYSA-N 2 2 348.437 3.130 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCC[N@H+]2CCCC[C@H]2C)c1C ZINC000354673324 457307828 /nfs/dbraw/zinc/30/78/28/457307828.db2.gz RZWCTEFVPYMHJZ-OAHLLOKOSA-N 2 2 339.487 3.254 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000354673324 457307836 /nfs/dbraw/zinc/30/78/36/457307836.db2.gz RZWCTEFVPYMHJZ-OAHLLOKOSA-N 2 2 339.487 3.254 20 0 EGADLP CC[NH+](CC)CCOC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000342453941 457311652 /nfs/dbraw/zinc/31/16/52/457311652.db2.gz FDVAOJWBKJVKIT-UHFFFAOYSA-N 2 2 334.508 3.236 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357087919 457315813 /nfs/dbraw/zinc/31/58/13/457315813.db2.gz SNJWDSDQVGDNKU-DLBZAZTESA-N 2 2 343.515 3.413 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357087919 457315816 /nfs/dbraw/zinc/31/58/16/457315816.db2.gz SNJWDSDQVGDNKU-DLBZAZTESA-N 2 2 343.515 3.413 20 0 EGADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352016823 457332953 /nfs/dbraw/zinc/33/29/53/457332953.db2.gz ZYWPYQFAFKYDLQ-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352016823 457332954 /nfs/dbraw/zinc/33/29/54/457332954.db2.gz ZYWPYQFAFKYDLQ-GJZGRUSLSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320017 457351086 /nfs/dbraw/zinc/35/10/86/457351086.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000347320017 457351090 /nfs/dbraw/zinc/35/10/90/457351090.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347320017 457351097 /nfs/dbraw/zinc/35/10/97/457351097.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347320017 457351103 /nfs/dbraw/zinc/35/11/03/457351103.db2.gz PKPFAOUVXANCLD-FWZVCBSNSA-N 3 2 327.516 3.112 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1ccc(F)cn1 ZINC000332410680 457363781 /nfs/dbraw/zinc/36/37/81/457363781.db2.gz JQNJWNYTRSJVDF-QGTPRVQTSA-N 2 2 332.423 3.161 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc3cc(Cl)ccc3n1C)CCC2 ZINC000369774383 457392736 /nfs/dbraw/zinc/39/27/36/457392736.db2.gz TXEDQCGZDBOPNA-CYBMUJFWSA-N 2 2 343.862 3.399 20 0 EGADLP Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c2cccc(F)c2[nH+]1 ZINC000360872604 457397190 /nfs/dbraw/zinc/39/71/90/457397190.db2.gz OXBGRUWAZMCOPO-UHFFFAOYSA-N 2 2 331.435 3.229 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817163 457413833 /nfs/dbraw/zinc/41/38/33/457413833.db2.gz YNDUQYWQIALTBG-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817163 457413841 /nfs/dbraw/zinc/41/38/41/457413841.db2.gz YNDUQYWQIALTBG-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817163 457413847 /nfs/dbraw/zinc/41/38/47/457413847.db2.gz YNDUQYWQIALTBG-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817163 457413857 /nfs/dbraw/zinc/41/38/57/457413857.db2.gz YNDUQYWQIALTBG-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP COc1cc2c(cc1C[NH2+]CCC[NH+]1CCC(C)CC1)O[C@@H](C)C2 ZINC000378951523 457414300 /nfs/dbraw/zinc/41/43/00/457414300.db2.gz PSXAARHWXCBLLH-INIZCTEOSA-N 2 2 332.488 3.230 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1nc(Cc2ccccc2)no1)CC1CCCC1 ZINC000352503002 457422265 /nfs/dbraw/zinc/42/22/65/457422265.db2.gz AWALQNWJGWUQFC-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP [NH3+]CCC[N@H+](Cc1nc(Cc2ccccc2)no1)CC1CCCC1 ZINC000352503002 457422268 /nfs/dbraw/zinc/42/22/68/457422268.db2.gz AWALQNWJGWUQFC-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](c4ccco4)C3)c2cc1C ZINC000374003379 457434552 /nfs/dbraw/zinc/43/45/52/457434552.db2.gz PNRPRCBQJDQAAT-SJORKVTESA-N 2 2 339.439 3.097 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](c4ccco4)C3)c2cc1C ZINC000374003379 457434557 /nfs/dbraw/zinc/43/45/57/457434557.db2.gz PNRPRCBQJDQAAT-SJORKVTESA-N 2 2 339.439 3.097 20 0 EGADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1COc2ccccc2O1 ZINC000342676511 457448726 /nfs/dbraw/zinc/44/87/26/457448726.db2.gz KTFUIQRPPAGLBE-KRWDZBQOSA-N 2 2 337.423 3.386 20 0 EGADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1COc2ccccc2O1 ZINC000342676511 457448735 /nfs/dbraw/zinc/44/87/35/457448735.db2.gz KTFUIQRPPAGLBE-KRWDZBQOSA-N 2 2 337.423 3.386 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000347494752 457464770 /nfs/dbraw/zinc/46/47/70/457464770.db2.gz XKTWACWSXQIHHX-QGZVFWFLSA-N 2 2 341.455 3.365 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000347494752 457464776 /nfs/dbraw/zinc/46/47/76/457464776.db2.gz XKTWACWSXQIHHX-QGZVFWFLSA-N 2 2 341.455 3.365 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1C ZINC000357414281 457507470 /nfs/dbraw/zinc/50/74/70/457507470.db2.gz MKTMJWCVEZLBLI-GOEBONIOSA-N 2 2 325.412 3.086 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000352672725 457518958 /nfs/dbraw/zinc/51/89/58/457518958.db2.gz AFGMVZYACZPMNC-RLFYNMQTSA-N 2 2 344.503 3.492 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000352672725 457518962 /nfs/dbraw/zinc/51/89/62/457518962.db2.gz AFGMVZYACZPMNC-RLFYNMQTSA-N 2 2 344.503 3.492 20 0 EGADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000347598747 457537886 /nfs/dbraw/zinc/53/78/86/457537886.db2.gz KBAIKTQHSHVGCG-IAGOWNOFSA-N 2 2 325.456 3.185 20 0 EGADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000347598747 457537893 /nfs/dbraw/zinc/53/78/93/457537893.db2.gz KBAIKTQHSHVGCG-IAGOWNOFSA-N 2 2 325.456 3.185 20 0 EGADLP c1cn(CCCC2CC[NH+](Cc3cccc4c3OCCO4)CC2)c[nH+]1 ZINC000361047021 457542665 /nfs/dbraw/zinc/54/26/65/457542665.db2.gz VFZAICGADBDJEW-UHFFFAOYSA-N 2 2 341.455 3.347 20 0 EGADLP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063521 457557940 /nfs/dbraw/zinc/55/79/40/457557940.db2.gz RSPAZXHWRCJAIS-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP COc1cccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000374281207 457564937 /nfs/dbraw/zinc/56/49/37/457564937.db2.gz WXEGCRSUSPQVJI-FQEVSTJZSA-N 2 2 325.456 3.092 20 0 EGADLP COc1cccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000374281207 457564944 /nfs/dbraw/zinc/56/49/44/457564944.db2.gz WXEGCRSUSPQVJI-FQEVSTJZSA-N 2 2 325.456 3.092 20 0 EGADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(O)c1 ZINC000374282661 457566562 /nfs/dbraw/zinc/56/65/62/457566562.db2.gz GJOBYAYNFLBVFD-UHFFFAOYSA-N 3 2 345.531 3.020 20 0 EGADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(O)c1 ZINC000374282661 457566567 /nfs/dbraw/zinc/56/65/67/457566567.db2.gz GJOBYAYNFLBVFD-UHFFFAOYSA-N 3 2 345.531 3.020 20 0 EGADLP COc1ccc(C[N@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)cc1 ZINC000347643572 457570926 /nfs/dbraw/zinc/57/09/26/457570926.db2.gz ARBFTIJCGZRDBH-UHFFFAOYSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C2CC2)cc1 ZINC000347643572 457570931 /nfs/dbraw/zinc/57/09/31/457570931.db2.gz ARBFTIJCGZRDBH-UHFFFAOYSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1C ZINC000352757510 457585291 /nfs/dbraw/zinc/58/52/91/457585291.db2.gz FOQXFHQJWICHHP-HNNXBMFYSA-N 2 2 333.501 3.460 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000361121404 457594778 /nfs/dbraw/zinc/59/47/78/457594778.db2.gz GGMRXRZRIDJEDQ-IBGZPJMESA-N 2 2 348.462 3.210 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCCO2 ZINC000370290828 457609618 /nfs/dbraw/zinc/60/96/18/457609618.db2.gz OPRBNBDJHLYOGV-KRWDZBQOSA-N 2 2 338.386 3.410 20 0 EGADLP COc1ccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000361162945 457621912 /nfs/dbraw/zinc/62/19/12/457621912.db2.gz HEBRYJZRQNEGMX-UHFFFAOYSA-N 2 2 343.446 3.026 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209173 457646113 /nfs/dbraw/zinc/64/61/13/457646113.db2.gz QLUJVYQLWKWURC-IAGOWNOFSA-N 2 2 337.895 3.111 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000361209173 457646116 /nfs/dbraw/zinc/64/61/16/457646116.db2.gz QLUJVYQLWKWURC-IAGOWNOFSA-N 2 2 337.895 3.111 20 0 EGADLP COCC[NH+]1CCC(Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CC1 ZINC000361239541 457662458 /nfs/dbraw/zinc/66/24/58/457662458.db2.gz VOQUGXRDICUCDU-UHFFFAOYSA-N 2 2 328.460 3.012 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C[C@@H]21 ZINC000374593018 457667887 /nfs/dbraw/zinc/66/78/87/457667887.db2.gz ICVTZLLICGBYCC-ZYSHUDEJSA-N 2 2 337.423 3.073 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)[NH+](CC)CC ZINC000361315333 457689554 /nfs/dbraw/zinc/68/95/54/457689554.db2.gz ULOLYDSREARJGW-WBVHZDCISA-N 2 2 337.533 3.074 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000364765681 457689596 /nfs/dbraw/zinc/68/95/96/457689596.db2.gz ABWDMYMAMPIQKV-CYBMUJFWSA-N 2 2 325.368 3.103 20 0 EGADLP Clc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000361328349 457694887 /nfs/dbraw/zinc/69/48/87/457694887.db2.gz KQQDVPGTWWTIGE-QGZVFWFLSA-N 2 2 333.907 3.131 20 0 EGADLP Clc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000361328349 457694889 /nfs/dbraw/zinc/69/48/89/457694889.db2.gz KQQDVPGTWWTIGE-QGZVFWFLSA-N 2 2 333.907 3.131 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671387 457697300 /nfs/dbraw/zinc/69/73/00/457697300.db2.gz QSSVAPSOEYUCAY-RTWAWAEBSA-N 3 2 345.506 3.049 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000370671387 457697302 /nfs/dbraw/zinc/69/73/02/457697302.db2.gz QSSVAPSOEYUCAY-RTWAWAEBSA-N 3 2 345.506 3.049 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC000357807791 457697705 /nfs/dbraw/zinc/69/77/05/457697705.db2.gz AVAZULXYKTTWAV-QZTJIDSGSA-N 2 2 347.466 3.225 20 0 EGADLP Cc1nc2[nH]ccc2c(N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH+]1 ZINC000357807791 457697706 /nfs/dbraw/zinc/69/77/06/457697706.db2.gz AVAZULXYKTTWAV-QZTJIDSGSA-N 2 2 347.466 3.225 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1ccc3c(c1)OCO3)CCC2 ZINC000370683017 457699376 /nfs/dbraw/zinc/69/93/76/457699376.db2.gz SSRKUHPUVIUOKU-PBHICJAKSA-N 2 2 341.455 3.409 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2ccccc2o1 ZINC000361345550 457700241 /nfs/dbraw/zinc/70/02/41/457700241.db2.gz JEVSEYNALYHXPA-HNNXBMFYSA-N 2 2 343.471 3.026 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000357838045 457706881 /nfs/dbraw/zinc/70/68/81/457706881.db2.gz VKOWDWSOQNMOEI-IRXDYDNUSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000357838045 457706885 /nfs/dbraw/zinc/70/68/85/457706885.db2.gz VKOWDWSOQNMOEI-IRXDYDNUSA-N 2 2 340.471 3.031 20 0 EGADLP Cn1cc([C@H]([NH2+]CC(C)(C)C[NH+]2CCCC2)c2cccc(F)c2)cn1 ZINC000357856706 457713995 /nfs/dbraw/zinc/71/39/95/457713995.db2.gz UHNPKOVDLIPLQA-LJQANCHMSA-N 2 2 344.478 3.360 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc2[nH+]ccn2c1)[NH+](C)C ZINC000357885041 457724042 /nfs/dbraw/zinc/72/40/42/457724042.db2.gz ZFHRAQBGMMENQF-KXBFYZLASA-N 2 2 336.439 3.064 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(N(C)C(C)C)nc1)CCC2 ZINC000365137804 457728545 /nfs/dbraw/zinc/72/85/45/457728545.db2.gz QEPDLDGCPCMPAL-KRWDZBQOSA-N 2 2 327.476 3.098 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(N(C)C(C)C)nc1)CCC2 ZINC000365137819 457728773 /nfs/dbraw/zinc/72/87/73/457728773.db2.gz QEPDLDGCPCMPAL-QGZVFWFLSA-N 2 2 327.476 3.098 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021157 457741757 /nfs/dbraw/zinc/74/17/57/457741757.db2.gz MKDVONUTLXCQCW-OXJNMPFZSA-N 2 2 326.488 3.043 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000358021157 457741761 /nfs/dbraw/zinc/74/17/61/457741761.db2.gz MKDVONUTLXCQCW-OXJNMPFZSA-N 2 2 326.488 3.043 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000361471635 457743443 /nfs/dbraw/zinc/74/34/43/457743443.db2.gz SIEOOPKSRLNCFC-DZGCQCFKSA-N 2 2 346.393 3.083 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000361471635 457743447 /nfs/dbraw/zinc/74/34/47/457743447.db2.gz SIEOOPKSRLNCFC-DZGCQCFKSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000358066036 457764520 /nfs/dbraw/zinc/76/45/20/457764520.db2.gz UIMXTFQKKUFIFY-APWZRJJASA-N 2 2 343.446 3.100 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000358066036 457764523 /nfs/dbraw/zinc/76/45/23/457764523.db2.gz UIMXTFQKKUFIFY-APWZRJJASA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000358066037 457764535 /nfs/dbraw/zinc/76/45/35/457764535.db2.gz UIMXTFQKKUFIFY-LPHOPBHVSA-N 2 2 343.446 3.100 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000358066037 457764539 /nfs/dbraw/zinc/76/45/39/457764539.db2.gz UIMXTFQKKUFIFY-LPHOPBHVSA-N 2 2 343.446 3.100 20 0 EGADLP Cn1c(NCc2cc[nH+]c(N3CCCCC3)c2)[nH+]c2cccc(F)c21 ZINC000443511104 457774199 /nfs/dbraw/zinc/77/41/99/457774199.db2.gz SJALQKURMFGSOX-UHFFFAOYSA-N 2 2 339.418 3.132 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ncc(Br)s1 ZINC000371118013 457795681 /nfs/dbraw/zinc/79/56/81/457795681.db2.gz IIWOPBUVUVMIHX-GARJFASQSA-N 2 2 330.295 3.183 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ncc(Br)s1 ZINC000371118013 457795684 /nfs/dbraw/zinc/79/56/84/457795684.db2.gz IIWOPBUVUVMIHX-GARJFASQSA-N 2 2 330.295 3.183 20 0 EGADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000358123221 457799452 /nfs/dbraw/zinc/79/94/52/457799452.db2.gz VEDYQQHOXYARIG-LJQANCHMSA-N 2 2 346.858 3.289 20 0 EGADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000358123221 457799456 /nfs/dbraw/zinc/79/94/56/457799456.db2.gz VEDYQQHOXYARIG-LJQANCHMSA-N 2 2 346.858 3.289 20 0 EGADLP COC1(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612239 457806243 /nfs/dbraw/zinc/80/62/43/457806243.db2.gz UIZBNEGJZDYNQA-RBUKOAKNSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612239 457806245 /nfs/dbraw/zinc/80/62/45/457806245.db2.gz UIZBNEGJZDYNQA-RBUKOAKNSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612239 457806249 /nfs/dbraw/zinc/80/62/49/457806249.db2.gz UIZBNEGJZDYNQA-RBUKOAKNSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612239 457806251 /nfs/dbraw/zinc/80/62/51/457806251.db2.gz UIZBNEGJZDYNQA-RBUKOAKNSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612240 457806749 /nfs/dbraw/zinc/80/67/49/457806749.db2.gz UIZBNEGJZDYNQA-RTBURBONSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612240 457806756 /nfs/dbraw/zinc/80/67/56/457806756.db2.gz UIZBNEGJZDYNQA-RTBURBONSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612240 457806759 /nfs/dbraw/zinc/80/67/59/457806759.db2.gz UIZBNEGJZDYNQA-RTBURBONSA-N 2 2 331.504 3.356 20 0 EGADLP COC1(C[NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCCCC1 ZINC000361612240 457806767 /nfs/dbraw/zinc/80/67/67/457806767.db2.gz UIZBNEGJZDYNQA-RTBURBONSA-N 2 2 331.504 3.356 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1O ZINC000426401766 457822720 /nfs/dbraw/zinc/82/27/20/457822720.db2.gz ATLYOQIVCBLPIL-QGZVFWFLSA-N 2 2 342.483 3.444 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1O ZINC000426401766 457822727 /nfs/dbraw/zinc/82/27/27/457822727.db2.gz ATLYOQIVCBLPIL-QGZVFWFLSA-N 2 2 342.483 3.444 20 0 EGADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)cc1O ZINC000426415506 457826136 /nfs/dbraw/zinc/82/61/36/457826136.db2.gz DOKAJZPVNZESKB-IAGOWNOFSA-N 2 2 334.504 3.432 20 0 EGADLP Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c2cc(F)ccc2[nH+]1 ZINC000366505894 457833075 /nfs/dbraw/zinc/83/30/75/457833075.db2.gz QNZPKUYLHPUMOY-GOSISDBHSA-N 2 2 340.402 3.355 20 0 EGADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000411256020 457842932 /nfs/dbraw/zinc/84/29/32/457842932.db2.gz HPQQHEKSCFOLJI-GOSISDBHSA-N 2 2 339.483 3.087 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444207801 457867566 /nfs/dbraw/zinc/86/75/66/457867566.db2.gz WMRSTCAVUBOOEA-SLHNCBLASA-N 2 2 349.563 3.124 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444207801 457867572 /nfs/dbraw/zinc/86/75/72/457867572.db2.gz WMRSTCAVUBOOEA-SLHNCBLASA-N 2 2 349.563 3.124 20 0 EGADLP C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758210 457879856 /nfs/dbraw/zinc/87/98/56/457879856.db2.gz KHYSCYFKOQLBOK-AEFFLSMTSA-N 2 2 331.504 3.462 20 0 EGADLP C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000433758210 457879862 /nfs/dbraw/zinc/87/98/62/457879862.db2.gz KHYSCYFKOQLBOK-AEFFLSMTSA-N 2 2 331.504 3.462 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000361826535 457889104 /nfs/dbraw/zinc/88/91/04/457889104.db2.gz YTLLJJFQHVDFPU-MRXNPFEDSA-N 2 2 339.361 3.070 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000361826535 457889107 /nfs/dbraw/zinc/88/91/07/457889107.db2.gz YTLLJJFQHVDFPU-MRXNPFEDSA-N 2 2 339.361 3.070 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891788 457935455 /nfs/dbraw/zinc/93/54/55/457935455.db2.gz YNGFMNDUXQFKQD-QXAKKESOSA-N 2 2 328.456 3.122 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891788 457935459 /nfs/dbraw/zinc/93/54/59/457935459.db2.gz YNGFMNDUXQFKQD-QXAKKESOSA-N 2 2 328.456 3.122 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@@]1=O ZINC000411642679 457938669 /nfs/dbraw/zinc/93/86/69/457938669.db2.gz ZDKNMRJSUWEYDR-SBUREZEXSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[S@@]1=O ZINC000411642679 457938674 /nfs/dbraw/zinc/93/86/74/457938674.db2.gz ZDKNMRJSUWEYDR-SBUREZEXSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099825 457946863 /nfs/dbraw/zinc/94/68/63/457946863.db2.gz LZBZLQGVJVYHOY-AEFFLSMTSA-N 2 2 337.471 3.324 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000434099825 457946870 /nfs/dbraw/zinc/94/68/70/457946870.db2.gz LZBZLQGVJVYHOY-AEFFLSMTSA-N 2 2 337.471 3.324 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358351097 457951302 /nfs/dbraw/zinc/95/13/02/457951302.db2.gz JRPRCNYMLQFXDO-JQVVWYNYSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000358351097 457951309 /nfs/dbraw/zinc/95/13/09/457951309.db2.gz JRPRCNYMLQFXDO-JQVVWYNYSA-N 2 2 336.479 3.207 20 0 EGADLP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000358356190 457954081 /nfs/dbraw/zinc/95/40/81/457954081.db2.gz OPLMGWOQVDDLAV-UHFFFAOYSA-N 2 2 344.890 3.235 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1ccccc1 ZINC000361965054 457982090 /nfs/dbraw/zinc/98/20/90/457982090.db2.gz AXSVCTLPDUZLSU-YXJHDRRASA-N 2 2 327.476 3.099 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1OC(F)F ZINC000362030821 458014860 /nfs/dbraw/zinc/01/48/60/458014860.db2.gz XVFAFNTUCNKQLI-OCCSQVGLSA-N 2 2 328.403 3.117 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1OC(F)F ZINC000362030821 458014863 /nfs/dbraw/zinc/01/48/63/458014863.db2.gz XVFAFNTUCNKQLI-OCCSQVGLSA-N 2 2 328.403 3.117 20 0 EGADLP CC[NH2+]Cc1ccccc1NC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000428310790 458117613 /nfs/dbraw/zinc/11/76/13/458117613.db2.gz IUDQIHTWQYDCRY-UHFFFAOYSA-N 2 2 336.439 3.347 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCc1cccs1 ZINC000435375023 458124800 /nfs/dbraw/zinc/12/48/00/458124800.db2.gz YZPKRVRBIMLKJG-HNNXBMFYSA-N 2 2 332.469 3.259 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCc1cccs1 ZINC000435375023 458124805 /nfs/dbraw/zinc/12/48/05/458124805.db2.gz YZPKRVRBIMLKJG-HNNXBMFYSA-N 2 2 332.469 3.259 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435384864 458131619 /nfs/dbraw/zinc/13/16/19/458131619.db2.gz OKHWDNZTKXOXBY-GFCCVEGCSA-N 2 2 349.276 3.010 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000435384864 458131624 /nfs/dbraw/zinc/13/16/24/458131624.db2.gz OKHWDNZTKXOXBY-GFCCVEGCSA-N 2 2 349.276 3.010 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000435385083 458131792 /nfs/dbraw/zinc/13/17/92/458131792.db2.gz PMDKWBWLUBVWFL-PMACEKPBSA-N 2 2 340.467 3.300 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000435385083 458131800 /nfs/dbraw/zinc/13/18/00/458131800.db2.gz PMDKWBWLUBVWFL-PMACEKPBSA-N 2 2 340.467 3.300 20 0 EGADLP CC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428389532 458133491 /nfs/dbraw/zinc/13/34/91/458133491.db2.gz QFXUQCPQEYGGEE-CQSZACIVSA-N 2 2 338.521 3.044 20 0 EGADLP CC[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428389532 458133498 /nfs/dbraw/zinc/13/34/98/458133498.db2.gz QFXUQCPQEYGGEE-CQSZACIVSA-N 2 2 338.521 3.044 20 0 EGADLP CCOc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435394887 458136622 /nfs/dbraw/zinc/13/66/22/458136622.db2.gz PPXPGBBXMJZEKF-LJQANCHMSA-N 2 2 340.471 3.020 20 0 EGADLP CCOc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)n1 ZINC000435394887 458136628 /nfs/dbraw/zinc/13/66/28/458136628.db2.gz PPXPGBBXMJZEKF-LJQANCHMSA-N 2 2 340.471 3.020 20 0 EGADLP C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435435855 458146150 /nfs/dbraw/zinc/14/61/50/458146150.db2.gz COLNPJIJUWIWQD-OAHLLOKOSA-N 2 2 345.468 3.113 20 0 EGADLP C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435435855 458146157 /nfs/dbraw/zinc/14/61/57/458146157.db2.gz COLNPJIJUWIWQD-OAHLLOKOSA-N 2 2 345.468 3.113 20 0 EGADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1F ZINC000435441188 458147942 /nfs/dbraw/zinc/14/79/42/458147942.db2.gz ASACUORZVNGILO-HNNXBMFYSA-N 2 2 349.475 3.211 20 0 EGADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1F ZINC000435441188 458147947 /nfs/dbraw/zinc/14/79/47/458147947.db2.gz ASACUORZVNGILO-HNNXBMFYSA-N 2 2 349.475 3.211 20 0 EGADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1C ZINC000435448194 458149128 /nfs/dbraw/zinc/14/91/28/458149128.db2.gz TZZXUCILNSRGSQ-QGZVFWFLSA-N 2 2 345.512 3.380 20 0 EGADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1C ZINC000435448194 458149134 /nfs/dbraw/zinc/14/91/34/458149134.db2.gz TZZXUCILNSRGSQ-QGZVFWFLSA-N 2 2 345.512 3.380 20 0 EGADLP C[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000435629837 458176420 /nfs/dbraw/zinc/17/64/20/458176420.db2.gz ZAWQVMPJXNYOGK-INIZCTEOSA-N 2 2 342.462 3.074 20 0 EGADLP C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[NH2+]CC1 ZINC000435629837 458176424 /nfs/dbraw/zinc/17/64/24/458176424.db2.gz ZAWQVMPJXNYOGK-INIZCTEOSA-N 2 2 342.462 3.074 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626368 458176745 /nfs/dbraw/zinc/17/67/45/458176745.db2.gz ODVIHWXUJRYCHR-FUHWJXTLSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626368 458176752 /nfs/dbraw/zinc/17/67/52/458176752.db2.gz ODVIHWXUJRYCHR-FUHWJXTLSA-N 2 2 339.483 3.091 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000447102066 458266927 /nfs/dbraw/zinc/26/69/27/458266927.db2.gz OZDCSQCULWPCSB-UHFFFAOYSA-N 2 2 326.425 3.248 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602516 458283628 /nfs/dbraw/zinc/28/36/28/458283628.db2.gz QRNOMKJHEYPPKI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)o2)c1 ZINC000369602516 458283632 /nfs/dbraw/zinc/28/36/32/458283632.db2.gz QRNOMKJHEYPPKI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)o2)c1 ZINC000369602516 458283639 /nfs/dbraw/zinc/28/36/39/458283639.db2.gz QRNOMKJHEYPPKI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)o2)c1 ZINC000369602516 458283643 /nfs/dbraw/zinc/28/36/43/458283643.db2.gz QRNOMKJHEYPPKI-CVEARBPZSA-N 2 2 328.460 3.380 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364196 458290789 /nfs/dbraw/zinc/29/07/89/458290789.db2.gz DSBIFXONWJHXTF-CRAIPNDOSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364196 458290794 /nfs/dbraw/zinc/29/07/94/458290794.db2.gz DSBIFXONWJHXTF-CRAIPNDOSA-N 2 2 326.488 3.432 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000447516821 458302752 /nfs/dbraw/zinc/30/27/52/458302752.db2.gz IDRNYGBSOLPEQZ-HNNXBMFYSA-N 2 2 330.428 3.239 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000447516821 458302756 /nfs/dbraw/zinc/30/27/56/458302756.db2.gz IDRNYGBSOLPEQZ-HNNXBMFYSA-N 2 2 330.428 3.239 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000447516822 458303408 /nfs/dbraw/zinc/30/34/08/458303408.db2.gz IDRNYGBSOLPEQZ-OAHLLOKOSA-N 2 2 330.428 3.239 20 0 EGADLP COC(=O)c1coc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000447516822 458303416 /nfs/dbraw/zinc/30/34/16/458303416.db2.gz IDRNYGBSOLPEQZ-OAHLLOKOSA-N 2 2 330.428 3.239 20 0 EGADLP CC(C)c1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000369661886 458306524 /nfs/dbraw/zinc/30/65/24/458306524.db2.gz DVTVLEKDAPRYLL-MRXNPFEDSA-N 2 2 346.519 3.413 20 0 EGADLP CC(C)c1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000369661886 458306526 /nfs/dbraw/zinc/30/65/26/458306526.db2.gz DVTVLEKDAPRYLL-MRXNPFEDSA-N 2 2 346.519 3.413 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(-c3ccccc3)nc1C)CCC2 ZINC000372581060 458306813 /nfs/dbraw/zinc/30/68/13/458306813.db2.gz DSPHTHPWBFCZGX-KRWDZBQOSA-N 2 2 335.455 3.353 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538115 458308002 /nfs/dbraw/zinc/30/80/02/458308002.db2.gz ASUCDLQMMRGMMW-OXQOHEQNSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000447538115 458308007 /nfs/dbraw/zinc/30/80/07/458308007.db2.gz ASUCDLQMMRGMMW-OXQOHEQNSA-N 2 2 328.456 3.184 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000414896635 458326104 /nfs/dbraw/zinc/32/61/04/458326104.db2.gz POTOSMQZWPFCIL-YOEHRIQHSA-N 2 2 338.348 3.478 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351529 458340172 /nfs/dbraw/zinc/34/01/72/458340172.db2.gz HCQZBPQKEPDAKV-INIZCTEOSA-N 2 2 340.471 3.013 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459351529 458340178 /nfs/dbraw/zinc/34/01/78/458340178.db2.gz HCQZBPQKEPDAKV-INIZCTEOSA-N 2 2 340.471 3.013 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543472 458342933 /nfs/dbraw/zinc/34/29/33/458342933.db2.gz UWWSPRUHEBKUIL-ROUUACIJSA-N 2 2 331.504 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543472 458342934 /nfs/dbraw/zinc/34/29/34/458342934.db2.gz UWWSPRUHEBKUIL-ROUUACIJSA-N 2 2 331.504 3.355 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551427 458344143 /nfs/dbraw/zinc/34/41/43/458344143.db2.gz UYESCVAIZFJQRC-SJLPKXTDSA-N 2 2 347.478 3.046 20 0 EGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCC[C@@H]([NH+](C)C)CC3)C2=O)c1 ZINC000429551427 458344145 /nfs/dbraw/zinc/34/41/45/458344145.db2.gz UYESCVAIZFJQRC-SJLPKXTDSA-N 2 2 347.478 3.046 20 0 EGADLP CC(C[NH+]1CCO[C@@H](C(C)(C)C)C1)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447844816 458354055 /nfs/dbraw/zinc/35/40/55/458354055.db2.gz RRJVVOAKZUVGNH-QZTJIDSGSA-N 2 2 340.552 3.116 20 0 EGADLP CC(C[NH+]1CCO[C@@H](C(C)(C)C)C1)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447844816 458354060 /nfs/dbraw/zinc/35/40/60/458354060.db2.gz RRJVVOAKZUVGNH-QZTJIDSGSA-N 2 2 340.552 3.116 20 0 EGADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000447899406 458363784 /nfs/dbraw/zinc/36/37/84/458363784.db2.gz TWTZFUFIHIZCOK-QGZVFWFLSA-N 2 2 337.552 3.124 20 0 EGADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000447899406 458363791 /nfs/dbraw/zinc/36/37/91/458363791.db2.gz TWTZFUFIHIZCOK-QGZVFWFLSA-N 2 2 337.552 3.124 20 0 EGADLP Cc1nnc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)s1 ZINC000459491091 458390230 /nfs/dbraw/zinc/39/02/30/458390230.db2.gz ZDNKKZHTAYXVAJ-ZDUSSCGKSA-N 2 2 339.468 3.278 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373216305 458431986 /nfs/dbraw/zinc/43/19/86/458431986.db2.gz ABRMUKKOAZCRIH-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373216305 458431991 /nfs/dbraw/zinc/43/19/91/458431991.db2.gz ABRMUKKOAZCRIH-QGZVFWFLSA-N 2 2 335.455 3.498 20 0 EGADLP CCOC[C@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000459674799 458444142 /nfs/dbraw/zinc/44/41/42/458444142.db2.gz LGIHJRYRMOAXCE-OAHLLOKOSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC[C@H]1CCCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000459674799 458444146 /nfs/dbraw/zinc/44/41/46/458444146.db2.gz LGIHJRYRMOAXCE-OAHLLOKOSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC[C@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000459674799 458444148 /nfs/dbraw/zinc/44/41/48/458444148.db2.gz LGIHJRYRMOAXCE-OAHLLOKOSA-N 2 2 337.533 3.301 20 0 EGADLP CCOC[C@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000459674799 458444151 /nfs/dbraw/zinc/44/41/51/458444151.db2.gz LGIHJRYRMOAXCE-OAHLLOKOSA-N 2 2 337.533 3.301 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423506593 458445686 /nfs/dbraw/zinc/44/56/86/458445686.db2.gz HFZKGQLNXIMSRJ-NVXWUHKLSA-N 2 2 343.446 3.172 20 0 EGADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C(=O)OC)cc1 ZINC000423525042 458451117 /nfs/dbraw/zinc/45/11/17/458451117.db2.gz KBBMHCKYBMIPKO-XUVXKRRUSA-N 2 2 338.451 3.270 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000423530569 458452570 /nfs/dbraw/zinc/45/25/70/458452570.db2.gz PRPPWGVFAOZOIE-TYCQWZJGSA-N 2 2 349.478 3.220 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430577954 458464976 /nfs/dbraw/zinc/46/49/76/458464976.db2.gz YKQLXRCDPPZFIX-SDDRHHMPSA-N 2 2 344.286 3.380 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430577954 458464981 /nfs/dbraw/zinc/46/49/81/458464981.db2.gz YKQLXRCDPPZFIX-SDDRHHMPSA-N 2 2 344.286 3.380 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccn(C)n1 ZINC000459744389 458466572 /nfs/dbraw/zinc/46/65/72/458466572.db2.gz HYURUZFKYQFLQS-AWEZNQCLSA-N 2 2 332.879 3.389 20 0 EGADLP COC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000373363863 458472285 /nfs/dbraw/zinc/47/22/85/458472285.db2.gz IILOVEPXHLRDNK-QGZVFWFLSA-N 2 2 333.863 3.393 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430623037 458472762 /nfs/dbraw/zinc/47/27/62/458472762.db2.gz GGOQFGLCOYVPBF-HZPDHXFCSA-N 2 2 331.504 3.070 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430623037 458472766 /nfs/dbraw/zinc/47/27/66/458472766.db2.gz GGOQFGLCOYVPBF-HZPDHXFCSA-N 2 2 331.504 3.070 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)[C@H](C)[NH3+] ZINC000423810403 458488530 /nfs/dbraw/zinc/48/85/30/458488530.db2.gz MDAPMRMAVXXHSC-LRDDRELGSA-N 2 2 330.476 3.429 20 0 EGADLP Cn1c2ccc(NC(=O)C3(C[NH3+])CCCC3)cc2[nH+]c1C(C)(C)C ZINC000423814926 458489591 /nfs/dbraw/zinc/48/95/91/458489591.db2.gz UATYZHMGNNMDCQ-UHFFFAOYSA-N 2 2 328.460 3.328 20 0 EGADLP COc1ccccc1-n1nccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000430764866 458490046 /nfs/dbraw/zinc/49/00/46/458490046.db2.gz UHVZVTRHYBVBLW-QGZVFWFLSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccccc1-n1nccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000430764866 458490049 /nfs/dbraw/zinc/49/00/49/458490049.db2.gz UHVZVTRHYBVBLW-QGZVFWFLSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccccc1-n1nccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000430764866 458490052 /nfs/dbraw/zinc/49/00/52/458490052.db2.gz UHVZVTRHYBVBLW-QGZVFWFLSA-N 2 2 342.487 3.187 20 0 EGADLP COc1ccccc1-n1nccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000430764866 458490055 /nfs/dbraw/zinc/49/00/55/458490055.db2.gz UHVZVTRHYBVBLW-QGZVFWFLSA-N 2 2 342.487 3.187 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919547 458504625 /nfs/dbraw/zinc/50/46/25/458504625.db2.gz LNNVZMINYCWNFI-QFBILLFUSA-N 2 2 348.450 3.367 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919547 458504629 /nfs/dbraw/zinc/50/46/29/458504629.db2.gz LNNVZMINYCWNFI-QFBILLFUSA-N 2 2 348.450 3.367 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919545 458505437 /nfs/dbraw/zinc/50/54/37/458505437.db2.gz LNNVZMINYCWNFI-LPHOPBHVSA-N 2 2 348.450 3.367 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430919545 458505442 /nfs/dbraw/zinc/50/54/42/458505442.db2.gz LNNVZMINYCWNFI-LPHOPBHVSA-N 2 2 348.450 3.367 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954494 458510379 /nfs/dbraw/zinc/51/03/79/458510379.db2.gz FUYUVQDJUHZYEO-IAGOWNOFSA-N 2 2 337.467 3.222 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954494 458510383 /nfs/dbraw/zinc/51/03/83/458510383.db2.gz FUYUVQDJUHZYEO-IAGOWNOFSA-N 2 2 337.467 3.222 20 0 EGADLP Fc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760048 458515491 /nfs/dbraw/zinc/51/54/91/458515491.db2.gz INHNVKJTPBMGDF-MSOLQXFVSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760048 458515498 /nfs/dbraw/zinc/51/54/98/458515498.db2.gz INHNVKJTPBMGDF-MSOLQXFVSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760048 458515504 /nfs/dbraw/zinc/51/55/04/458515504.db2.gz INHNVKJTPBMGDF-MSOLQXFVSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000377760048 458515506 /nfs/dbraw/zinc/51/55/06/458515506.db2.gz INHNVKJTPBMGDF-MSOLQXFVSA-N 2 2 325.431 3.175 20 0 EGADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000431061336 458522954 /nfs/dbraw/zinc/52/29/54/458522954.db2.gz VRYISBRXVFBXAL-ZBFHGGJFSA-N 2 2 330.407 3.248 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000373565226 458535881 /nfs/dbraw/zinc/53/58/81/458535881.db2.gz ZEGRYDDTMXYMDI-QGZVFWFLSA-N 2 2 341.455 3.056 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431162704 458537325 /nfs/dbraw/zinc/53/73/25/458537325.db2.gz USEBYRFJWXXVKP-QFBILLFUSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431162704 458537328 /nfs/dbraw/zinc/53/73/28/458537328.db2.gz USEBYRFJWXXVKP-QFBILLFUSA-N 2 2 339.439 3.179 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825354 458543389 /nfs/dbraw/zinc/54/33/89/458543389.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 3 2 340.515 3.368 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000377825354 458543391 /nfs/dbraw/zinc/54/33/91/458543391.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 3 2 340.515 3.368 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000377825354 458543397 /nfs/dbraw/zinc/54/33/97/458543397.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 3 2 340.515 3.368 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000377825354 458543404 /nfs/dbraw/zinc/54/34/04/458543404.db2.gz AZKHZAZBVQDUCL-LJQANCHMSA-N 3 2 340.515 3.368 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1)CCC2 ZINC000377830197 458544552 /nfs/dbraw/zinc/54/45/52/458544552.db2.gz BPOOSJABPFVVEI-CQSZACIVSA-N 2 2 325.416 3.150 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)CCC2 ZINC000377830910 458545021 /nfs/dbraw/zinc/54/50/21/458545021.db2.gz IJBGMLMFQXCFQT-OAHLLOKOSA-N 2 2 339.418 3.388 20 0 EGADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000493769092 458560491 /nfs/dbraw/zinc/56/04/91/458560491.db2.gz FGWILHRIIUROAI-WAVCKPEOSA-N 2 2 344.846 3.030 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000377890774 458566493 /nfs/dbraw/zinc/56/64/93/458566493.db2.gz YRUNZZOUGXWGQY-NSHDSACASA-N 2 2 327.400 3.458 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000377890774 458566496 /nfs/dbraw/zinc/56/64/96/458566496.db2.gz YRUNZZOUGXWGQY-NSHDSACASA-N 2 2 327.400 3.458 20 0 EGADLP CC(C)n1cncc1C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000424132539 458566958 /nfs/dbraw/zinc/56/69/58/458566958.db2.gz KWCSQAIEOVZWQA-UHFFFAOYSA-N 2 2 326.488 3.391 20 0 EGADLP CC(C)n1cncc1C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000424132539 458566961 /nfs/dbraw/zinc/56/69/61/458566961.db2.gz KWCSQAIEOVZWQA-UHFFFAOYSA-N 2 2 326.488 3.391 20 0 EGADLP [NH3+][C@@H](CCC(=O)NCCc1cn2ccccc2[nH+]1)CC1CCCCC1 ZINC000424141768 458569526 /nfs/dbraw/zinc/56/95/26/458569526.db2.gz XILQMGWLVRJESI-KRWDZBQOSA-N 2 2 342.487 3.071 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc3c(c1)OC(F)(F)O3)CCC2 ZINC000424146653 458570158 /nfs/dbraw/zinc/57/01/58/458570158.db2.gz PXMDNHYBSOLTED-CYBMUJFWSA-N 2 2 335.354 3.180 20 0 EGADLP CC(C)n1c[nH+]cc1CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000424157397 458573448 /nfs/dbraw/zinc/57/34/48/458573448.db2.gz QUPZLBFIJFQKTE-INIZCTEOSA-N 2 2 328.460 3.469 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307528 458611748 /nfs/dbraw/zinc/61/17/48/458611748.db2.gz XQVAKVMXZXRALZ-QUCCMNQESA-N 3 2 347.522 3.312 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307528 458611753 /nfs/dbraw/zinc/61/17/53/458611753.db2.gz XQVAKVMXZXRALZ-QUCCMNQESA-N 3 2 347.522 3.312 20 0 EGADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000424329529 458617713 /nfs/dbraw/zinc/61/77/13/458617713.db2.gz GTPHQPZHPHKTIG-HRYATBACSA-N 2 2 339.483 3.265 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])nnn1-c1ccc(Cl)cc1 ZINC000424378920 458628767 /nfs/dbraw/zinc/62/87/67/458628767.db2.gz UISYWRKNFQTNGS-HFBAOOFYSA-N 2 2 333.867 3.150 20 0 EGADLP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000502245821 458641929 /nfs/dbraw/zinc/64/19/29/458641929.db2.gz BQYMJEKXSPAJJV-DLBZAZTESA-N 2 2 334.504 3.407 20 0 EGADLP CCc1cc(OC)ccc1C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000502302019 458643321 /nfs/dbraw/zinc/64/33/21/458643321.db2.gz QNRRREIAIBJPPJ-UHFFFAOYSA-N 2 2 325.456 3.283 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000494415964 458671718 /nfs/dbraw/zinc/67/17/18/458671718.db2.gz ZKHXZAGNEZODPH-JTQLQIEISA-N 2 2 326.263 3.120 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000470984217 458672740 /nfs/dbraw/zinc/67/27/40/458672740.db2.gz QYPWIDJGXQKWQD-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000470984217 458672748 /nfs/dbraw/zinc/67/27/48/458672748.db2.gz QYPWIDJGXQKWQD-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000470984217 458672751 /nfs/dbraw/zinc/67/27/51/458672751.db2.gz QYPWIDJGXQKWQD-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000470984217 458672756 /nfs/dbraw/zinc/67/27/56/458672756.db2.gz QYPWIDJGXQKWQD-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494939538 458768942 /nfs/dbraw/zinc/76/89/42/458768942.db2.gz JZWHMAKQMSXCGY-WBAXXEDZSA-N 2 2 329.419 3.095 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000547654652 458769265 /nfs/dbraw/zinc/76/92/65/458769265.db2.gz VGLXEYUZKCTXNY-ZFWWWQNUSA-N 2 2 346.862 3.167 20 0 EGADLP Cc1cc(N2CC[NH+](C/C=C\c3ccncc3)CC2)nc(C(C)C)[nH+]1 ZINC000495055575 458789644 /nfs/dbraw/zinc/78/96/44/458789644.db2.gz ABLWYWLTAIPONE-PLNGDYQASA-N 2 2 337.471 3.139 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827900 458794938 /nfs/dbraw/zinc/79/49/38/458794938.db2.gz HBVQIKGZHDROOA-XJKSGUPXSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)oc1C ZINC000432827900 458794942 /nfs/dbraw/zinc/79/49/42/458794942.db2.gz HBVQIKGZHDROOA-XJKSGUPXSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)oc1C ZINC000432827900 458794947 /nfs/dbraw/zinc/79/49/47/458794947.db2.gz HBVQIKGZHDROOA-XJKSGUPXSA-N 2 2 334.460 3.099 20 0 EGADLP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)oc1C ZINC000432827900 458794952 /nfs/dbraw/zinc/79/49/52/458794952.db2.gz HBVQIKGZHDROOA-XJKSGUPXSA-N 2 2 334.460 3.099 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483098 458798770 /nfs/dbraw/zinc/79/87/70/458798770.db2.gz DMRNXHPPSQNHES-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000472483098 458798774 /nfs/dbraw/zinc/79/87/74/458798774.db2.gz DMRNXHPPSQNHES-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000472483098 458798778 /nfs/dbraw/zinc/79/87/78/458798778.db2.gz DMRNXHPPSQNHES-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472483098 458798781 /nfs/dbraw/zinc/79/87/81/458798781.db2.gz DMRNXHPPSQNHES-PKOBYXMFSA-N 2 2 343.515 3.294 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000495258996 458820942 /nfs/dbraw/zinc/82/09/42/458820942.db2.gz IFAUWBYDSCVBFN-UXHICEINSA-N 2 2 338.495 3.315 20 0 EGADLP Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c1C ZINC000473148013 458821672 /nfs/dbraw/zinc/82/16/72/458821672.db2.gz YLAMWQKDXNADDJ-GOSISDBHSA-N 2 2 341.499 3.329 20 0 EGADLP Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2c1C ZINC000473148013 458821674 /nfs/dbraw/zinc/82/16/74/458821674.db2.gz YLAMWQKDXNADDJ-GOSISDBHSA-N 2 2 341.499 3.329 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894205 /nfs/dbraw/zinc/89/42/05/458894205.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 2 330.472 3.310 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894210 /nfs/dbraw/zinc/89/42/10/458894210.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 2 330.472 3.310 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894212 /nfs/dbraw/zinc/89/42/12/458894212.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 2 330.472 3.310 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796075 458894254 /nfs/dbraw/zinc/89/42/54/458894254.db2.gz PNFYYYCWYVKCLC-XKKXFUJGSA-N 2 2 336.426 3.165 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441155057 458894217 /nfs/dbraw/zinc/89/42/17/458894217.db2.gz KZPRVXXJNHPXFF-MOPGFXCFSA-N 2 2 330.472 3.310 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1F ZINC000518796075 458894259 /nfs/dbraw/zinc/89/42/59/458894259.db2.gz PNFYYYCWYVKCLC-XKKXFUJGSA-N 2 2 336.426 3.165 20 0 EGADLP CCOC[C@H]1CCC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000474803809 458902188 /nfs/dbraw/zinc/90/21/88/458902188.db2.gz HPIJGYBBIAPVBJ-RTBURBONSA-N 2 2 338.536 3.064 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353083 458924249 /nfs/dbraw/zinc/92/42/49/458924249.db2.gz LJHLFSRASSXATP-GFEQUFNTSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353083 458924252 /nfs/dbraw/zinc/92/42/52/458924252.db2.gz LJHLFSRASSXATP-GFEQUFNTSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441353083 458924257 /nfs/dbraw/zinc/92/42/57/458924257.db2.gz LJHLFSRASSXATP-GFEQUFNTSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441353083 458924258 /nfs/dbraw/zinc/92/42/58/458924258.db2.gz LJHLFSRASSXATP-GFEQUFNTSA-N 2 2 337.552 3.122 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441399998 458935184 /nfs/dbraw/zinc/93/51/84/458935184.db2.gz FYCGNRXGYVDTJJ-ICSRJNTNSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441399998 458935189 /nfs/dbraw/zinc/93/51/89/458935189.db2.gz FYCGNRXGYVDTJJ-ICSRJNTNSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441399998 458935201 /nfs/dbraw/zinc/93/52/01/458935201.db2.gz FYCGNRXGYVDTJJ-ICSRJNTNSA-N 2 2 349.563 3.076 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000475339881 458936840 /nfs/dbraw/zinc/93/68/40/458936840.db2.gz WHYHBVSXGXXVTI-BVOGOJNSSA-N 3 2 329.532 3.217 20 0 EGADLP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000475339881 458936845 /nfs/dbraw/zinc/93/68/45/458936845.db2.gz WHYHBVSXGXXVTI-BVOGOJNSSA-N 3 2 329.532 3.217 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000556233525 458939814 /nfs/dbraw/zinc/93/98/14/458939814.db2.gz JEHRDZHZTFJHJJ-LPHOPBHVSA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccn1 ZINC000556233525 458939819 /nfs/dbraw/zinc/93/98/19/458939819.db2.gz JEHRDZHZTFJHJJ-LPHOPBHVSA-N 2 2 325.456 3.405 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441452895 458946462 /nfs/dbraw/zinc/94/64/62/458946462.db2.gz VAFSYXGBNXWCCX-OALUTQOASA-N 2 2 337.552 3.125 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441452895 458946465 /nfs/dbraw/zinc/94/64/65/458946465.db2.gz VAFSYXGBNXWCCX-OALUTQOASA-N 2 2 337.552 3.125 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804377 458959956 /nfs/dbraw/zinc/95/99/56/458959956.db2.gz OLXANJFTSPEJGP-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495804377 458959962 /nfs/dbraw/zinc/95/99/62/458959962.db2.gz OLXANJFTSPEJGP-DOTOQJQBSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(Br)cn1 ZINC000556605755 458977845 /nfs/dbraw/zinc/97/78/45/458977845.db2.gz HCVIQXMADNURAL-LLVKDONJSA-N 2 2 335.249 3.228 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000577228535 459002218 /nfs/dbraw/zinc/00/22/18/459002218.db2.gz AXNCRTYMOAGVGH-GJZGRUSLSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000577228535 459002225 /nfs/dbraw/zinc/00/22/25/459002225.db2.gz AXNCRTYMOAGVGH-GJZGRUSLSA-N 2 2 337.427 3.329 20 0 EGADLP C[C@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)n1cc[nH+]c1 ZINC000566800482 459002821 /nfs/dbraw/zinc/00/28/21/459002821.db2.gz UKELGXNMFYKZQW-OAHLLOKOSA-N 2 2 347.422 3.388 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154862 459037885 /nfs/dbraw/zinc/03/78/85/459037885.db2.gz KPWSHVJBLUBPSM-IEBWSBKVSA-N 2 2 337.552 3.268 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154862 459037892 /nfs/dbraw/zinc/03/78/92/459037892.db2.gz KPWSHVJBLUBPSM-IEBWSBKVSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154862 459037898 /nfs/dbraw/zinc/03/78/98/459037898.db2.gz KPWSHVJBLUBPSM-IEBWSBKVSA-N 2 2 337.552 3.268 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCC2CCCCC2)C[C@H]1C ZINC000532154862 459037902 /nfs/dbraw/zinc/03/79/02/459037902.db2.gz KPWSHVJBLUBPSM-IEBWSBKVSA-N 2 2 337.552 3.268 20 0 EGADLP CC[C@@H](NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)c1[nH]cc[nH+]1 ZINC000442798915 459038243 /nfs/dbraw/zinc/03/82/43/459038243.db2.gz HQWHBWSIAPIFHW-QGZVFWFLSA-N 2 2 326.444 3.275 20 0 EGADLP CC[C@@H](NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1)c1[nH]cc[nH+]1 ZINC000442798915 459038246 /nfs/dbraw/zinc/03/82/46/459038246.db2.gz HQWHBWSIAPIFHW-QGZVFWFLSA-N 2 2 326.444 3.275 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000520230535 459041897 /nfs/dbraw/zinc/04/18/97/459041897.db2.gz SREMCSKQWMCAPT-NEWSRXKRSA-N 2 2 349.478 3.222 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000520230535 459041902 /nfs/dbraw/zinc/04/19/02/459041902.db2.gz SREMCSKQWMCAPT-NEWSRXKRSA-N 2 2 349.478 3.222 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000567063028 459043108 /nfs/dbraw/zinc/04/31/08/459043108.db2.gz MICZOPZZHOFYHA-INIZCTEOSA-N 3 2 326.488 3.393 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1C ZINC000567063028 459043109 /nfs/dbraw/zinc/04/31/09/459043109.db2.gz MICZOPZZHOFYHA-INIZCTEOSA-N 3 2 326.488 3.393 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCN(C4CCCCC4)C3=O)n2c1 ZINC000443008422 459075013 /nfs/dbraw/zinc/07/50/13/459075013.db2.gz FYJKMFIYXYQYAS-GOSISDBHSA-N 2 2 340.471 3.056 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Br)cn1 ZINC000567299006 459081806 /nfs/dbraw/zinc/08/18/06/459081806.db2.gz KXIBJXSTNRYFGB-GFCCVEGCSA-N 2 2 345.244 3.385 20 0 EGADLP COC1(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCCCC1 ZINC000478571095 459098497 /nfs/dbraw/zinc/09/84/97/459098497.db2.gz GWZGFTHELVIZOP-UHFFFAOYSA-N 2 2 346.519 3.373 20 0 EGADLP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000594622832 459116462 /nfs/dbraw/zinc/11/64/62/459116462.db2.gz GKJVLQFIXGGHOU-IBGZPJMESA-N 2 2 347.503 3.002 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323867 459149694 /nfs/dbraw/zinc/14/96/94/459149694.db2.gz JFQRCTZBKIOZBB-HOTGVXAUSA-N 2 2 339.524 3.048 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323867 459149699 /nfs/dbraw/zinc/14/96/99/459149699.db2.gz JFQRCTZBKIOZBB-HOTGVXAUSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323867 459149704 /nfs/dbraw/zinc/14/97/04/459149704.db2.gz JFQRCTZBKIOZBB-HOTGVXAUSA-N 2 2 339.524 3.048 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)[C@H]2C1 ZINC000496323867 459149708 /nfs/dbraw/zinc/14/97/08/459149708.db2.gz JFQRCTZBKIOZBB-HOTGVXAUSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000594745149 459150147 /nfs/dbraw/zinc/15/01/47/459150147.db2.gz KWBHHZDEZAXROH-QGZVFWFLSA-N 2 2 328.460 3.132 20 0 EGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000594745149 459150154 /nfs/dbraw/zinc/15/01/54/459150154.db2.gz KWBHHZDEZAXROH-QGZVFWFLSA-N 2 2 328.460 3.132 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CN1C(=O)OC(C)(C)C ZINC000496361771 459165803 /nfs/dbraw/zinc/16/58/03/459165803.db2.gz PFQVBXDBZYXULJ-LSDHHAIUSA-N 2 2 348.491 3.097 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000480035990 459179455 /nfs/dbraw/zinc/17/94/55/459179455.db2.gz GQHTZFXXHSVORF-XLIONFOSSA-N 2 2 334.504 3.483 20 0 EGADLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000480035990 459179458 /nfs/dbraw/zinc/17/94/58/459179458.db2.gz GQHTZFXXHSVORF-XLIONFOSSA-N 2 2 334.504 3.483 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000590753865 459205764 /nfs/dbraw/zinc/20/57/64/459205764.db2.gz GZMPRDGYKJFMCD-SJORKVTESA-N 2 2 343.471 3.446 20 0 EGADLP CCC(CC)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000533267380 459211938 /nfs/dbraw/zinc/21/19/38/459211938.db2.gz GWWOVOVSVHYYON-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP CCC(CC)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000533267380 459211941 /nfs/dbraw/zinc/21/19/41/459211941.db2.gz GWWOVOVSVHYYON-UHFFFAOYSA-N 2 2 349.544 3.045 20 0 EGADLP O[C@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)Cc1ccc(C(F)(F)F)cc1 ZINC000568078292 459223023 /nfs/dbraw/zinc/22/30/23/459223023.db2.gz MIYNJQDSDLTFMO-INIZCTEOSA-N 2 2 349.356 3.046 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](C)CC(F)(F)F)c2cc1C ZINC000578641031 459234386 /nfs/dbraw/zinc/23/43/86/459234386.db2.gz HJNUFIJSRMPVIJ-RISCZKNCSA-N 2 2 343.393 3.192 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000560124927 459303415 /nfs/dbraw/zinc/30/34/15/459303415.db2.gz AGSWXEPDOCDHQI-NDUPCHFUSA-N 2 2 332.488 3.378 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc2ccccc21 ZINC000591083099 459309443 /nfs/dbraw/zinc/30/94/43/459309443.db2.gz OEUMLIFXFFZEAR-QGZVFWFLSA-N 2 2 334.423 3.312 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc2ccccc21 ZINC000591083099 459309448 /nfs/dbraw/zinc/30/94/48/459309448.db2.gz OEUMLIFXFFZEAR-QGZVFWFLSA-N 2 2 334.423 3.312 20 0 EGADLP CC[N@H+](C[C@@H](O)CCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000482727912 459322732 /nfs/dbraw/zinc/32/27/32/459322732.db2.gz AUIAKJUCOXKXJS-IBGZPJMESA-N 2 2 333.520 3.417 20 0 EGADLP CC[N@@H+](C[C@@H](O)CCC(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000482727912 459322736 /nfs/dbraw/zinc/32/27/36/459322736.db2.gz AUIAKJUCOXKXJS-IBGZPJMESA-N 2 2 333.520 3.417 20 0 EGADLP CCc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000582229078 459330058 /nfs/dbraw/zinc/33/00/58/459330058.db2.gz DWESFSRUFBRWGS-UHFFFAOYSA-N 3 2 343.540 3.394 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC000560603791 459378876 /nfs/dbraw/zinc/37/88/76/459378876.db2.gz CQJRPYLUPVAIKK-OAHLLOKOSA-N 2 2 337.471 3.064 20 0 EGADLP Cc1[nH]c(CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]c1C ZINC000569141360 459403905 /nfs/dbraw/zinc/40/39/05/459403905.db2.gz XWZADRYPCDULBZ-SFHVURJKSA-N 2 2 326.488 3.417 20 0 EGADLP Cc1[nH]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]c1C ZINC000569141360 459403913 /nfs/dbraw/zinc/40/39/13/459403913.db2.gz XWZADRYPCDULBZ-SFHVURJKSA-N 2 2 326.488 3.417 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)CCc3ccco3)c2cc1C ZINC000560913044 459406617 /nfs/dbraw/zinc/40/66/17/459406617.db2.gz FUCSJSCRYAVNAC-IAGOWNOFSA-N 2 2 341.455 3.218 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867610 459457587 /nfs/dbraw/zinc/45/75/87/459457587.db2.gz QAUHTUYVFPLOED-QGZVFWFLSA-N 2 2 326.444 3.030 20 0 EGADLP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867610 459457593 /nfs/dbraw/zinc/45/75/93/459457593.db2.gz QAUHTUYVFPLOED-QGZVFWFLSA-N 2 2 326.444 3.030 20 0 EGADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583028972 459470551 /nfs/dbraw/zinc/47/05/51/459470551.db2.gz XVENBDHQGTUZBF-INIZCTEOSA-N 2 2 348.516 3.266 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2cc(Cl)ccc2Br)n1C ZINC000569709855 459497935 /nfs/dbraw/zinc/49/79/35/459497935.db2.gz HELKREQEFCQETK-UHFFFAOYSA-N 2 2 342.668 3.477 20 0 EGADLP COC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccccc1 ZINC000562023132 459503753 /nfs/dbraw/zinc/50/37/53/459503753.db2.gz WHMCVZOVMVLMHT-IAGOWNOFSA-N 2 2 327.472 3.473 20 0 EGADLP CC(=O)N(c1nc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cs1)c1ccc(C)cc1 ZINC000583440561 459538745 /nfs/dbraw/zinc/53/87/45/459538745.db2.gz KUMPXRRYDXWURJ-UONOGXRCSA-N 2 2 346.500 3.352 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000562571835 459590662 /nfs/dbraw/zinc/59/06/62/459590662.db2.gz NPFOLHYHKDAFJX-KSZLIROESA-N 2 2 342.512 3.379 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000562571835 459590665 /nfs/dbraw/zinc/59/06/65/459590665.db2.gz NPFOLHYHKDAFJX-KSZLIROESA-N 2 2 342.512 3.379 20 0 EGADLP Cc1[nH]c(CNCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)[nH+]c1C ZINC000583823708 459603854 /nfs/dbraw/zinc/60/38/54/459603854.db2.gz FLBDHFVKIWMEFH-KRWDZBQOSA-N 2 2 342.487 3.016 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2noc3ccccc23)[C@H](C)C1 ZINC000573137509 459632499 /nfs/dbraw/zinc/63/24/99/459632499.db2.gz PHTUIUPQAVJFGH-WBVHZDCISA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2noc3ccccc23)[C@H](C)C1 ZINC000573137509 459632503 /nfs/dbraw/zinc/63/25/03/459632503.db2.gz PHTUIUPQAVJFGH-WBVHZDCISA-N 2 2 331.460 3.054 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1ccncc1C)c1ccccc1 ZINC000573195422 459640563 /nfs/dbraw/zinc/64/05/63/459640563.db2.gz FHBWAKVUPMIETD-HXUWFJFHSA-N 2 2 327.472 3.189 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1ccncc1C)c1ccccc1 ZINC000573195422 459640566 /nfs/dbraw/zinc/64/05/66/459640566.db2.gz FHBWAKVUPMIETD-HXUWFJFHSA-N 2 2 327.472 3.189 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000543447977 459657565 /nfs/dbraw/zinc/65/75/65/459657565.db2.gz KWLZJAPFGLZPCB-RTWAWAEBSA-N 2 2 326.484 3.445 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC2([NH+](C)C)CCCCC2)c1C ZINC000500458477 459679856 /nfs/dbraw/zinc/67/98/56/459679856.db2.gz QKAHGDRTYDUZLK-UHFFFAOYSA-N 2 2 339.487 3.254 20 0 EGADLP Clc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000527637561 459679952 /nfs/dbraw/zinc/67/99/52/459679952.db2.gz MISZOFYMJMILGL-JTQLQIEISA-N 2 2 344.684 3.071 20 0 EGADLP Clc1cnc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000527637561 459679957 /nfs/dbraw/zinc/67/99/57/459679957.db2.gz MISZOFYMJMILGL-JTQLQIEISA-N 2 2 344.684 3.071 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527638861 459680070 /nfs/dbraw/zinc/68/00/70/459680070.db2.gz NIPIEFZJKDSWBA-HUUCEWRRSA-N 2 2 347.532 3.001 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1F ZINC000527696592 459704554 /nfs/dbraw/zinc/70/45/54/459704554.db2.gz UMDJINPUNBKPLO-JTQLQIEISA-N 2 2 342.187 3.028 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856662 459707740 /nfs/dbraw/zinc/70/77/40/459707740.db2.gz RBYFQOSITPKHHW-PMACEKPBSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000543856662 459707742 /nfs/dbraw/zinc/70/77/42/459707742.db2.gz RBYFQOSITPKHHW-PMACEKPBSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543856662 459707745 /nfs/dbraw/zinc/70/77/45/459707745.db2.gz RBYFQOSITPKHHW-PMACEKPBSA-N 2 2 346.515 3.418 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543856662 459707746 /nfs/dbraw/zinc/70/77/46/459707746.db2.gz RBYFQOSITPKHHW-PMACEKPBSA-N 2 2 346.515 3.418 20 0 EGADLP Cc1ccc([C@H]([NH2+]CCc2cc[nH+]cc2C)[C@H](C)S(C)(=O)=O)cc1 ZINC000573718016 459723442 /nfs/dbraw/zinc/72/34/42/459723442.db2.gz NGEGIGJBASSNJR-QFBILLFUSA-N 2 2 346.496 3.005 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528004084 459793552 /nfs/dbraw/zinc/79/35/52/459793552.db2.gz VCTJXDXQWZMEDD-WMZOPIPTSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528004084 459793556 /nfs/dbraw/zinc/79/35/56/459793556.db2.gz VCTJXDXQWZMEDD-WMZOPIPTSA-N 2 2 330.472 3.298 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)[NH+]2CCCC2)cc1 ZINC000566108858 459806574 /nfs/dbraw/zinc/80/65/74/459806574.db2.gz GKYHXSPNLFLMII-JKSUJKDBSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[nH+]1 ZINC000566329431 459843624 /nfs/dbraw/zinc/84/36/24/459843624.db2.gz FPHDEQVEUZTZAB-CQSZACIVSA-N 2 2 335.411 3.091 20 0 EGADLP C[C@@H]([N@H+](C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)(C)C ZINC000575973141 460043402 /nfs/dbraw/zinc/04/34/02/460043402.db2.gz KPVRMVKZIOBHFX-CYBMUJFWSA-N 2 2 338.521 3.044 20 0 EGADLP C[C@@H]([N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)C(C)(C)C ZINC000575973141 460043405 /nfs/dbraw/zinc/04/34/05/460043405.db2.gz KPVRMVKZIOBHFX-CYBMUJFWSA-N 2 2 338.521 3.044 20 0 EGADLP CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCCc1c[nH+]ccc1C ZINC000589165791 460043968 /nfs/dbraw/zinc/04/39/68/460043968.db2.gz HMALXHLVMSJPJO-HXUWFJFHSA-N 2 2 340.467 3.429 20 0 EGADLP CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000589165791 460043973 /nfs/dbraw/zinc/04/39/73/460043973.db2.gz HMALXHLVMSJPJO-HXUWFJFHSA-N 2 2 340.467 3.429 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2ccc3[nH]cnc3c2)[nH+]1 ZINC000589639677 460119949 /nfs/dbraw/zinc/11/99/49/460119949.db2.gz BOVLRSYAAYVQRP-UHFFFAOYSA-N 2 2 331.423 3.140 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2ccc3nc[nH]c3c2)[nH+]1 ZINC000589639677 460119956 /nfs/dbraw/zinc/11/99/56/460119956.db2.gz BOVLRSYAAYVQRP-UHFFFAOYSA-N 2 2 331.423 3.140 20 0 EGADLP COC(=O)CC1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000599019796 460128077 /nfs/dbraw/zinc/12/80/77/460128077.db2.gz MVLAYWSWEXZRON-UHFFFAOYSA-N 2 2 341.455 3.143 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000599043963 460138233 /nfs/dbraw/zinc/13/82/33/460138233.db2.gz QKPCSFMCXNNJJY-PCQDHPLQSA-N 2 2 332.488 3.389 20 0 EGADLP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003792 460158207 /nfs/dbraw/zinc/15/82/07/460158207.db2.gz GAISZQFUGZRPQK-OXJNMPFZSA-N 2 2 336.439 3.147 20 0 EGADLP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000622003792 460158214 /nfs/dbraw/zinc/15/82/14/460158214.db2.gz GAISZQFUGZRPQK-OXJNMPFZSA-N 2 2 336.439 3.147 20 0 EGADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000622044780 460169050 /nfs/dbraw/zinc/16/90/50/460169050.db2.gz SGETVUPOESSGHB-MFKMUULPSA-N 2 2 333.220 3.258 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669968 460188910 /nfs/dbraw/zinc/18/89/10/460188910.db2.gz KMTKBFLNWKHNOX-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669968 460188917 /nfs/dbraw/zinc/18/89/17/460188917.db2.gz KMTKBFLNWKHNOX-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669968 460188923 /nfs/dbraw/zinc/18/89/23/460188923.db2.gz KMTKBFLNWKHNOX-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669968 460188930 /nfs/dbraw/zinc/18/89/30/460188930.db2.gz KMTKBFLNWKHNOX-HOCLYGCPSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669963 460189004 /nfs/dbraw/zinc/18/90/04/460189004.db2.gz KMTKBFLNWKHNOX-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669963 460189008 /nfs/dbraw/zinc/18/90/08/460189008.db2.gz KMTKBFLNWKHNOX-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669963 460189019 /nfs/dbraw/zinc/18/90/19/460189019.db2.gz KMTKBFLNWKHNOX-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000576669963 460189026 /nfs/dbraw/zinc/18/90/26/460189026.db2.gz KMTKBFLNWKHNOX-GDBMZVCRSA-N 2 2 336.863 3.027 20 0 EGADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000625679018 460235269 /nfs/dbraw/zinc/23/52/69/460235269.db2.gz MTBCVHDTDAISQT-HDICACEKSA-N 2 2 336.426 3.281 20 0 EGADLP FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000625679018 460235274 /nfs/dbraw/zinc/23/52/74/460235274.db2.gz MTBCVHDTDAISQT-HDICACEKSA-N 2 2 336.426 3.281 20 0 EGADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000631570786 460449966 /nfs/dbraw/zinc/44/99/66/460449966.db2.gz YDJGQVGYKIKBHP-OAQYLSRUSA-N 2 2 337.467 3.332 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631600993 460467279 /nfs/dbraw/zinc/46/72/79/460467279.db2.gz VBSMDHZVAZUIFB-QLIIJSOBSA-N 2 2 341.499 3.154 20 0 EGADLP CN(CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)CC(F)F ZINC000623832167 460735864 /nfs/dbraw/zinc/73/58/64/460735864.db2.gz OBKGAJSHZHMZCE-UHFFFAOYSA-N 2 2 345.865 3.091 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623871704 460754821 /nfs/dbraw/zinc/75/48/21/460754821.db2.gz KYRSJXMTFJHYMJ-LBPRGKRZSA-N 2 2 348.384 3.342 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000629562445 460810619 /nfs/dbraw/zinc/81/06/19/460810619.db2.gz NPHBJBZLBBSSNG-VXGBXAGGSA-N 2 2 338.320 3.247 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OC(F)F)CC[C@H]1C(F)(F)F ZINC000629562445 460810627 /nfs/dbraw/zinc/81/06/27/460810627.db2.gz NPHBJBZLBBSSNG-VXGBXAGGSA-N 2 2 338.320 3.247 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@@H]1C(F)(F)F ZINC000629563449 460811585 /nfs/dbraw/zinc/81/15/85/460811585.db2.gz QHMDLWQSLPSPOS-ZFWWWQNUSA-N 2 2 339.361 3.301 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)CC[C@@H]1C(F)(F)F ZINC000629563449 460811587 /nfs/dbraw/zinc/81/15/87/460811587.db2.gz QHMDLWQSLPSPOS-ZFWWWQNUSA-N 2 2 339.361 3.301 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ncc(Br)s1 ZINC000624122339 460872505 /nfs/dbraw/zinc/87/25/05/460872505.db2.gz OOHVBHXQWRUVQI-MNOVXSKESA-N 2 2 332.311 3.288 20 0 EGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000629650609 460845816 /nfs/dbraw/zinc/84/58/16/460845816.db2.gz YCOPKHMIKDIYJD-PMACEKPBSA-N 2 2 338.426 3.337 20 0 EGADLP CC(C)[NH+]1CCN(C2CCN(c3[nH+]ccc4ccccc43)CC2)CC1 ZINC000624071758 460845837 /nfs/dbraw/zinc/84/58/37/460845837.db2.gz JZWYPJCMZASBMU-UHFFFAOYSA-N 2 2 338.499 3.230 20 0 EGADLP CC(C)N1CC[NH+](C2CCN(c3[nH+]ccc4ccccc43)CC2)CC1 ZINC000624071758 460845843 /nfs/dbraw/zinc/84/58/43/460845843.db2.gz JZWYPJCMZASBMU-UHFFFAOYSA-N 2 2 338.499 3.230 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1C(F)(F)F ZINC000629652709 460847528 /nfs/dbraw/zinc/84/75/28/460847528.db2.gz AOMTVMCKOSXUQK-YPMHNXCESA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC[C@@H]1C(F)(F)F ZINC000629652709 460847531 /nfs/dbraw/zinc/84/75/31/460847531.db2.gz AOMTVMCKOSXUQK-YPMHNXCESA-N 2 2 344.406 3.097 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656440 460851050 /nfs/dbraw/zinc/85/10/50/460851050.db2.gz ORBAEAFENUZWCJ-DZGCQCFKSA-N 2 2 346.441 3.214 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629656440 460851055 /nfs/dbraw/zinc/85/10/55/460851055.db2.gz ORBAEAFENUZWCJ-DZGCQCFKSA-N 2 2 346.441 3.214 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624094344 460855877 /nfs/dbraw/zinc/85/58/77/460855877.db2.gz CDCHVFSBFUGLQI-YOEHRIQHSA-N 2 2 334.414 3.252 20 0 EGADLP Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000629675526 460862474 /nfs/dbraw/zinc/86/24/74/460862474.db2.gz WPQZVKSYYMEQRH-HUUCEWRRSA-N 2 2 332.835 3.485 20 0 EGADLP Clc1ccc(C[N@H+]2CCC[C@@H]2c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000629675526 460862479 /nfs/dbraw/zinc/86/24/79/460862479.db2.gz WPQZVKSYYMEQRH-HUUCEWRRSA-N 2 2 332.835 3.485 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120895 460870262 /nfs/dbraw/zinc/87/02/62/460870262.db2.gz JNXXXBWXAQQDKF-GOEBONIOSA-N 2 2 345.466 3.097 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nnn1-c1ccc(F)cc1 ZINC000624120895 460870267 /nfs/dbraw/zinc/87/02/67/460870267.db2.gz JNXXXBWXAQQDKF-GOEBONIOSA-N 2 2 345.466 3.097 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ncc(Br)s1 ZINC000624122339 460872499 /nfs/dbraw/zinc/87/24/99/460872499.db2.gz OOHVBHXQWRUVQI-MNOVXSKESA-N 2 2 332.311 3.288 20 0 EGADLP C[NH+](C)Cc1ccc(-c2cnn(Cc3[nH+]ccn3C(F)F)c2)cc1F ZINC000629709106 460879489 /nfs/dbraw/zinc/87/94/89/460879489.db2.gz OQLHSPWKZYALRN-UHFFFAOYSA-N 2 2 349.360 3.391 20 0 EGADLP CC[C@H](CO)Nc1ccc(-c2cc(F)cc(Cn3cc[nH+]c3)c2)c[nH+]1 ZINC000629732041 460892841 /nfs/dbraw/zinc/89/28/41/460892841.db2.gz RUBDJAXODXGSOM-GOSISDBHSA-N 2 2 340.402 3.315 20 0 EGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624332848 460963824 /nfs/dbraw/zinc/96/38/24/460963824.db2.gz ASDQVHBADZTYLN-LPHOPBHVSA-N 2 2 340.467 3.079 20 0 EGADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624332848 460963832 /nfs/dbraw/zinc/96/38/32/460963832.db2.gz ASDQVHBADZTYLN-LPHOPBHVSA-N 2 2 340.467 3.079 20 0 EGADLP CN(C)c1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000628181627 461036713 /nfs/dbraw/zinc/03/67/13/461036713.db2.gz JYQLKBNZUPJVJL-INIZCTEOSA-N 2 2 337.458 3.481 20 0 EGADLP CN(C)c1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc(F)c1F ZINC000628181627 461036717 /nfs/dbraw/zinc/03/67/17/461036717.db2.gz JYQLKBNZUPJVJL-INIZCTEOSA-N 2 2 337.458 3.481 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+]CCc2cccc(C(F)(F)F)c2)CCSC1 ZINC000628225795 461054176 /nfs/dbraw/zinc/05/41/76/461054176.db2.gz NSVJJXUDRGVEJF-OAHLLOKOSA-N 2 2 332.435 3.275 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665554870 461125512 /nfs/dbraw/zinc/12/55/12/461125512.db2.gz UEUNTURBEBMKDL-JKSUJKDBSA-N 2 2 347.507 3.012 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665554870 461125520 /nfs/dbraw/zinc/12/55/20/461125520.db2.gz UEUNTURBEBMKDL-JKSUJKDBSA-N 2 2 347.507 3.012 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000652350272 461144087 /nfs/dbraw/zinc/14/40/87/461144087.db2.gz OYAFABJILDBNDQ-AVRDEDQJSA-N 2 2 349.478 3.353 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000652350272 461144096 /nfs/dbraw/zinc/14/40/96/461144096.db2.gz OYAFABJILDBNDQ-AVRDEDQJSA-N 2 2 349.478 3.353 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1CC[NH3+] ZINC000652355800 461149119 /nfs/dbraw/zinc/14/91/19/461149119.db2.gz HXWMVAUPCVJLTP-DYVFJYSZSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)[C@H]1CC[NH3+] ZINC000652355800 461149127 /nfs/dbraw/zinc/14/91/27/461149127.db2.gz HXWMVAUPCVJLTP-DYVFJYSZSA-N 2 2 334.414 3.100 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ncsc2Br)[C@@H]1CCC[NH3+] ZINC000662315918 461187399 /nfs/dbraw/zinc/18/73/99/461187399.db2.gz SQTBPPLXUPVOTD-ZYHUDNBSSA-N 2 2 332.311 3.245 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ncsc2Br)[C@@H]1CCC[NH3+] ZINC000662315918 461187405 /nfs/dbraw/zinc/18/74/05/461187405.db2.gz SQTBPPLXUPVOTD-ZYHUDNBSSA-N 2 2 332.311 3.245 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022079 461200653 /nfs/dbraw/zinc/20/06/53/461200653.db2.gz HBWQCXRFYOOONL-MJGOQNOKSA-N 2 2 330.520 3.459 20 0 EGADLP Cn1ccnc1[C@H](C1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000638022079 461200660 /nfs/dbraw/zinc/20/06/60/461200660.db2.gz HBWQCXRFYOOONL-MJGOQNOKSA-N 2 2 330.520 3.459 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000641443812 461248986 /nfs/dbraw/zinc/24/89/86/461248986.db2.gz MBLDLZUWNBOXMJ-VQTJNVASSA-N 2 2 337.467 3.065 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000641443812 461248993 /nfs/dbraw/zinc/24/89/93/461248993.db2.gz MBLDLZUWNBOXMJ-VQTJNVASSA-N 2 2 337.467 3.065 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134985 461266125 /nfs/dbraw/zinc/26/61/25/461266125.db2.gz QXEQOSCTMBRJNC-AWEZNQCLSA-N 2 2 338.879 3.218 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134985 461266132 /nfs/dbraw/zinc/26/61/32/461266132.db2.gz QXEQOSCTMBRJNC-AWEZNQCLSA-N 2 2 338.879 3.218 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134985 461266144 /nfs/dbraw/zinc/26/61/44/461266144.db2.gz QXEQOSCTMBRJNC-AWEZNQCLSA-N 2 2 338.879 3.218 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(Cl)cc1O ZINC000638134985 461266153 /nfs/dbraw/zinc/26/61/53/461266153.db2.gz QXEQOSCTMBRJNC-AWEZNQCLSA-N 2 2 338.879 3.218 20 0 EGADLP COc1ccc([C@@H](C[NH2+]Cc2ccc(CO)cc2)[NH+]2CCCC2)cc1 ZINC000638281140 461345181 /nfs/dbraw/zinc/34/51/81/461345181.db2.gz JJJHNRVJWBJNBD-OAQYLSRUSA-N 2 2 340.467 3.114 20 0 EGADLP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630832182 461349711 /nfs/dbraw/zinc/34/97/11/461349711.db2.gz TXZFSTHKZOJOFG-UHFFFAOYSA-N 2 2 340.471 3.269 20 0 EGADLP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630832182 461349724 /nfs/dbraw/zinc/34/97/24/461349724.db2.gz TXZFSTHKZOJOFG-UHFFFAOYSA-N 2 2 340.471 3.269 20 0 EGADLP CC(C)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668617702 461356797 /nfs/dbraw/zinc/35/67/97/461356797.db2.gz LDZZHZKBGCEDPZ-HXUWFJFHSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668617702 461356803 /nfs/dbraw/zinc/35/68/03/461356803.db2.gz LDZZHZKBGCEDPZ-HXUWFJFHSA-N 2 2 343.515 3.051 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655723303 461391004 /nfs/dbraw/zinc/39/10/04/461391004.db2.gz IYKSDUVOWOSRPM-BWPNAZKDSA-N 2 2 338.499 3.464 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655723303 461391007 /nfs/dbraw/zinc/39/10/07/461391007.db2.gz IYKSDUVOWOSRPM-BWPNAZKDSA-N 2 2 338.499 3.464 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1Cl ZINC000655729528 461397352 /nfs/dbraw/zinc/39/73/52/461397352.db2.gz BQNPKEBBHJBTCD-JSGCOSHPSA-N 2 2 326.843 3.383 20 0 EGADLP Cn1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc2ccccc21 ZINC000638387161 461401084 /nfs/dbraw/zinc/40/10/84/461401084.db2.gz UMYRQPJFJKLVQG-UHFFFAOYSA-N 2 2 349.478 3.300 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1nc2ccccc2[nH]1 ZINC000638440524 461427080 /nfs/dbraw/zinc/42/70/80/461427080.db2.gz AJPBRFDFSOJBFJ-GOSISDBHSA-N 2 2 344.503 3.085 20 0 EGADLP c1cn(-c2csc(C[N@H+]3C[C@]45COC[C@@]4(C3)CCCC5)c2)c[nH+]1 ZINC000668786301 461435457 /nfs/dbraw/zinc/43/54/57/461435457.db2.gz YNQUIXOFRHXGHB-HDICACEKSA-N 2 2 329.469 3.326 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3C[C@]45COC[C@@]4(C3)CCCC5)c2)c[nH+]1 ZINC000668786301 461435465 /nfs/dbraw/zinc/43/54/65/461435465.db2.gz YNQUIXOFRHXGHB-HDICACEKSA-N 2 2 329.469 3.326 20 0 EGADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2cc(F)ccc2O1 ZINC000655792744 461451259 /nfs/dbraw/zinc/45/12/59/461451259.db2.gz OGOZFYNDKUIMDF-FUHWJXTLSA-N 2 2 348.462 3.271 20 0 EGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1cc2n(n1)CCC2 ZINC000666094372 461452238 /nfs/dbraw/zinc/45/22/38/461452238.db2.gz ZZXNQRPPNGGBQA-DNVCBOLYSA-N 2 2 335.455 3.197 20 0 EGADLP COc1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(Cl)cc1O ZINC000638518805 461465021 /nfs/dbraw/zinc/46/50/21/461465021.db2.gz QRDQQLPDURZEFV-UHFFFAOYSA-N 2 2 335.835 3.431 20 0 EGADLP CC[C@H](C)c1ccc([C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061650 461481071 /nfs/dbraw/zinc/48/10/71/461481071.db2.gz XQRSXSCLTMZPTD-IPELMVKDSA-N 2 2 333.520 3.292 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848233 461494995 /nfs/dbraw/zinc/49/49/95/461494995.db2.gz HQIIHEIMNMRXFF-OLMNPRSZSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848233 461495000 /nfs/dbraw/zinc/49/50/00/461495000.db2.gz HQIIHEIMNMRXFF-OLMNPRSZSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848972 461495468 /nfs/dbraw/zinc/49/54/68/461495468.db2.gz MZIIRSGKZZKOHF-UIAACRFSSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848972 461495479 /nfs/dbraw/zinc/49/54/79/461495479.db2.gz MZIIRSGKZZKOHF-UIAACRFSSA-N 2 2 326.488 3.491 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(Br)cc2F)C1 ZINC000631046005 461497680 /nfs/dbraw/zinc/49/76/80/461497680.db2.gz YDLXRIVANSKGSD-LLVKDONJSA-N 2 2 345.256 3.028 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(Br)cc2F)C1 ZINC000631046005 461497685 /nfs/dbraw/zinc/49/76/85/461497685.db2.gz YDLXRIVANSKGSD-LLVKDONJSA-N 2 2 345.256 3.028 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849903 461497819 /nfs/dbraw/zinc/49/78/19/461497819.db2.gz QQZWCBXRQRWWRO-FHLIZLRMSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849903 461497825 /nfs/dbraw/zinc/49/78/25/461497825.db2.gz QQZWCBXRQRWWRO-FHLIZLRMSA-N 2 2 333.451 3.149 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCCC4)O3)CC2)nc1 ZINC000655851159 461500676 /nfs/dbraw/zinc/50/06/76/461500676.db2.gz BJDVPRJSJYWGSG-IBGZPJMESA-N 2 2 329.488 3.127 20 0 EGADLP CC[NH+](CC)Cc1nc(C2([NH2+]C[C@@](C)(CC)OC)CCCC2)no1 ZINC000638603544 461501909 /nfs/dbraw/zinc/50/19/09/461501909.db2.gz DVAHSHMRHHJWIN-QGZVFWFLSA-N 2 2 338.496 3.085 20 0 EGADLP COc1ncc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)s1 ZINC000638610049 461504491 /nfs/dbraw/zinc/50/44/91/461504491.db2.gz ADZFGTBYTQPWSW-AWEZNQCLSA-N 2 2 331.485 3.467 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)cnc21 ZINC000655858301 461506214 /nfs/dbraw/zinc/50/62/14/461506214.db2.gz XNNIROZYZQZRIT-ROUUACIJSA-N 2 2 327.476 3.119 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)cnc21 ZINC000655858301 461506223 /nfs/dbraw/zinc/50/62/23/461506223.db2.gz XNNIROZYZQZRIT-ROUUACIJSA-N 2 2 327.476 3.119 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000655857524 461507299 /nfs/dbraw/zinc/50/72/99/461507299.db2.gz VLIFCDBFESQHNH-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000655857524 461507303 /nfs/dbraw/zinc/50/73/03/461507303.db2.gz VLIFCDBFESQHNH-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)sn1 ZINC000638671922 461527959 /nfs/dbraw/zinc/52/79/59/461527959.db2.gz UQWKPUZVYNAYTK-LRDDRELGSA-N 2 2 337.514 3.386 20 0 EGADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)sn1 ZINC000638671922 461527968 /nfs/dbraw/zinc/52/79/68/461527968.db2.gz UQWKPUZVYNAYTK-LRDDRELGSA-N 2 2 337.514 3.386 20 0 EGADLP CC(C)c1ccc([C@@H]2CCCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653158015 461529384 /nfs/dbraw/zinc/52/93/84/461529384.db2.gz SWWIJUGNORRQAX-MOPGFXCFSA-N 2 2 331.504 3.143 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663343734 461571234 /nfs/dbraw/zinc/57/12/34/461571234.db2.gz CTTVALLGWROLNT-MRXNPFEDSA-N 3 2 347.469 3.115 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343734 461571242 /nfs/dbraw/zinc/57/12/42/461571242.db2.gz CTTVALLGWROLNT-MRXNPFEDSA-N 3 2 347.469 3.115 20 0 EGADLP C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000663361609 461589931 /nfs/dbraw/zinc/58/99/31/461589931.db2.gz PZLSICWKLLQKQR-LAUBAEHRSA-N 2 2 339.483 3.321 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000643064158 461601017 /nfs/dbraw/zinc/60/10/17/461601017.db2.gz ORSBXDOHPQXSKP-DOTOQJQBSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)cc1 ZINC000643064158 461601025 /nfs/dbraw/zinc/60/10/25/461601025.db2.gz ORSBXDOHPQXSKP-DOTOQJQBSA-N 2 2 329.419 3.445 20 0 EGADLP CCCOc1cccc2c(NCCC[NH+]3CCC(O)CC3)cc[nH+]c12 ZINC000663403518 461623566 /nfs/dbraw/zinc/62/35/66/461623566.db2.gz USHXHAYRJLOFFM-UHFFFAOYSA-N 2 2 343.471 3.282 20 0 EGADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000653377632 461647583 /nfs/dbraw/zinc/64/75/83/461647583.db2.gz SQKZOGBQDOCNIR-SFHVURJKSA-N 2 2 349.438 3.163 20 0 EGADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000653377632 461647592 /nfs/dbraw/zinc/64/75/92/461647592.db2.gz SQKZOGBQDOCNIR-SFHVURJKSA-N 2 2 349.438 3.163 20 0 EGADLP CC(C)(C)c1ccccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986083 461668881 /nfs/dbraw/zinc/66/88/81/461668881.db2.gz UJFCRINOLRMTBK-UHFFFAOYSA-N 2 2 338.455 3.041 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254728 461679668 /nfs/dbraw/zinc/67/96/68/461679668.db2.gz JDHGDOZGRJYBQR-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254728 461679679 /nfs/dbraw/zinc/67/96/79/461679679.db2.gz JDHGDOZGRJYBQR-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254728 461679690 /nfs/dbraw/zinc/67/96/90/461679690.db2.gz JDHGDOZGRJYBQR-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656254728 461679694 /nfs/dbraw/zinc/67/96/94/461679694.db2.gz JDHGDOZGRJYBQR-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000663510141 461679729 /nfs/dbraw/zinc/67/97/29/461679729.db2.gz PIXSYTWUBJEXAQ-BXKDBHETSA-N 2 2 344.299 3.256 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC000663509178 461679818 /nfs/dbraw/zinc/67/98/18/461679818.db2.gz HVFXDECHYSHPQN-AWEZNQCLSA-N 2 2 330.428 3.194 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)c(C)c2c1 ZINC000643461770 461734240 /nfs/dbraw/zinc/73/42/40/461734240.db2.gz OXTOCYBULBTYKY-AEGPPILISA-N 2 2 332.444 3.167 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc(Cl)c1OC ZINC000647498614 461736844 /nfs/dbraw/zinc/73/68/44/461736844.db2.gz LCBSIRIYXCEHHA-UKRRQHHQSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc(Cl)c1OC ZINC000647498614 461736848 /nfs/dbraw/zinc/73/68/48/461736848.db2.gz LCBSIRIYXCEHHA-UKRRQHHQSA-N 2 2 326.868 3.307 20 0 EGADLP CC[C@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@H]1[NH3+] ZINC000647498441 461737696 /nfs/dbraw/zinc/73/76/96/461737696.db2.gz HDNHSRXOCMYXRQ-WCQYABFASA-N 2 2 340.393 3.151 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@H]1[NH3+] ZINC000647498441 461737700 /nfs/dbraw/zinc/73/77/00/461737700.db2.gz HDNHSRXOCMYXRQ-WCQYABFASA-N 2 2 340.393 3.151 20 0 EGADLP C[C@H]([NH3+])[C@H]1C[N@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506567 461738333 /nfs/dbraw/zinc/73/83/33/461738333.db2.gz SPPBOKAHJQZFHC-VBKZILBWSA-N 2 2 346.421 3.145 20 0 EGADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CCO1 ZINC000647506567 461738339 /nfs/dbraw/zinc/73/83/39/461738339.db2.gz SPPBOKAHJQZFHC-VBKZILBWSA-N 2 2 346.421 3.145 20 0 EGADLP Cc1[nH+]ccn1CCCCNc1nc(C)[nH+]c(C)c1Br ZINC000663658401 461739234 /nfs/dbraw/zinc/73/92/34/461739234.db2.gz RKXDFJAVWFHINN-UHFFFAOYSA-N 2 2 338.253 3.253 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501728 461746026 /nfs/dbraw/zinc/74/60/26/461746026.db2.gz OVMJYTWQMIRMIE-DOMZBBRYSA-N 2 2 339.277 3.395 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643529983 461754993 /nfs/dbraw/zinc/75/49/93/461754993.db2.gz TWCWLGLRXYOIAN-WQVCFCJDSA-N 2 2 341.293 3.257 20 0 EGADLP Cc1ccc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000647548072 461761261 /nfs/dbraw/zinc/76/12/61/461761261.db2.gz UQXQZJUZVHVNQO-TVFCKZIOSA-N 2 2 330.472 3.353 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000656533687 461776691 /nfs/dbraw/zinc/77/66/91/461776691.db2.gz YCSFPBHTQGSHPO-AWEZNQCLSA-N 2 2 337.427 3.063 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000660435158 461776763 /nfs/dbraw/zinc/77/67/63/461776763.db2.gz LGULZCQVTCGEIT-OAHLLOKOSA-N 2 2 338.329 3.475 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000660435158 461776769 /nfs/dbraw/zinc/77/67/69/461776769.db2.gz LGULZCQVTCGEIT-OAHLLOKOSA-N 2 2 338.329 3.475 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000639170889 461778699 /nfs/dbraw/zinc/77/86/99/461778699.db2.gz JSQGRDYOCCQFGP-GOSISDBHSA-N 2 2 348.441 3.213 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475647 461801031 /nfs/dbraw/zinc/80/10/31/461801031.db2.gz UFIIVPCSXXHNKA-IBGZPJMESA-N 2 2 345.531 3.454 20 0 EGADLP CCc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475647 461801038 /nfs/dbraw/zinc/80/10/38/461801038.db2.gz UFIIVPCSXXHNKA-IBGZPJMESA-N 2 2 345.531 3.454 20 0 EGADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000639215726 461808912 /nfs/dbraw/zinc/80/89/12/461808912.db2.gz FYISNFDQRZNMPZ-ZIAGYGMSSA-N 2 2 346.862 3.063 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@@H+]2C2CC2)cc1 ZINC000639221099 461811465 /nfs/dbraw/zinc/81/14/65/461811465.db2.gz LGIAPPCROZJBEL-FUHWJXTLSA-N 2 2 337.471 3.140 20 0 EGADLP c1ccc([C@H]2C[C@@H]([NH2+]Cc3nnc(C4CC4)[nH]3)CC[N@H+]2C2CC2)cc1 ZINC000639221099 461811470 /nfs/dbraw/zinc/81/14/70/461811470.db2.gz LGIAPPCROZJBEL-FUHWJXTLSA-N 2 2 337.471 3.140 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CS[C@H](C)C3)CC2)cc1 ZINC000639231598 461816772 /nfs/dbraw/zinc/81/67/72/461816772.db2.gz QBLJBYNENSTLSI-AUUYWEPGSA-N 2 2 347.528 3.093 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c[nH+]1 ZINC000639265279 461834260 /nfs/dbraw/zinc/83/42/60/461834260.db2.gz ILNIWFIBNMUPCT-NRFANRHFSA-N 2 2 336.435 3.433 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c[nH+]1 ZINC000639265279 461834266 /nfs/dbraw/zinc/83/42/66/461834266.db2.gz ILNIWFIBNMUPCT-NRFANRHFSA-N 2 2 336.435 3.433 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)ccc2n1C1CC1 ZINC000647796960 461840413 /nfs/dbraw/zinc/84/04/13/461840413.db2.gz SFFWGXLERZHSRU-GVDBMIGSSA-N 3 2 338.499 3.411 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691358 461844646 /nfs/dbraw/zinc/84/46/46/461844646.db2.gz RFJRCYIFRPOHKJ-PZJWPPBQSA-N 2 2 342.483 3.075 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691358 461844651 /nfs/dbraw/zinc/84/46/51/461844651.db2.gz RFJRCYIFRPOHKJ-PZJWPPBQSA-N 2 2 342.483 3.075 20 0 EGADLP Clc1ccc(-n2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000647814747 461849172 /nfs/dbraw/zinc/84/91/72/461849172.db2.gz CWUCGFGBOJOHKA-UHFFFAOYSA-N 2 2 330.863 3.242 20 0 EGADLP Clc1ccc(-n2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000647814747 461849177 /nfs/dbraw/zinc/84/91/77/461849177.db2.gz CWUCGFGBOJOHKA-UHFFFAOYSA-N 2 2 330.863 3.242 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557380 461851538 /nfs/dbraw/zinc/85/15/38/461851538.db2.gz LVVJRXXQJOYKNX-WMZOPIPTSA-N 2 2 343.471 3.226 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000660557380 461851545 /nfs/dbraw/zinc/85/15/45/461851545.db2.gz LVVJRXXQJOYKNX-WMZOPIPTSA-N 2 2 343.471 3.226 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660590551 461867781 /nfs/dbraw/zinc/86/77/81/461867781.db2.gz PIMGAOMIJDWRNW-PKOBYXMFSA-N 2 2 328.500 3.292 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000660590551 461867787 /nfs/dbraw/zinc/86/77/87/461867787.db2.gz PIMGAOMIJDWRNW-PKOBYXMFSA-N 2 2 328.500 3.292 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936364 461894123 /nfs/dbraw/zinc/89/41/23/461894123.db2.gz CALSFXRGQAJBAP-BSIFCXSSSA-N 2 2 343.515 3.093 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC[C@H]1[NH3+] ZINC000647936364 461894130 /nfs/dbraw/zinc/89/41/30/461894130.db2.gz CALSFXRGQAJBAP-BSIFCXSSSA-N 2 2 343.515 3.093 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000639375760 461894698 /nfs/dbraw/zinc/89/46/98/461894698.db2.gz DGSOQFRTFZGIQM-UHFFFAOYSA-N 2 2 343.515 3.229 20 0 EGADLP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC(C)(C)[NH3+] ZINC000656785456 461895803 /nfs/dbraw/zinc/89/58/03/461895803.db2.gz OVUDNUGEQCMYGC-UHFFFAOYSA-N 2 2 340.393 3.119 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000639376088 461895781 /nfs/dbraw/zinc/89/57/81/461895781.db2.gz SYFNLJOOMVHHFT-UHFFFAOYSA-N 2 2 326.488 3.483 20 0 EGADLP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC(C)(C)[NH3+] ZINC000656785456 461895806 /nfs/dbraw/zinc/89/58/06/461895806.db2.gz OVUDNUGEQCMYGC-UHFFFAOYSA-N 2 2 340.393 3.119 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938963 461896159 /nfs/dbraw/zinc/89/61/59/461896159.db2.gz XVHNHHJMRYEWQP-LSTHTHJFSA-N 2 2 337.467 3.426 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938963 461896162 /nfs/dbraw/zinc/89/61/62/461896162.db2.gz XVHNHHJMRYEWQP-LSTHTHJFSA-N 2 2 337.467 3.426 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647938340 461896394 /nfs/dbraw/zinc/89/63/94/461896394.db2.gz KGXIVXUWXVRQOP-ANQUJSFKSA-N 2 2 343.471 3.058 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647938340 461896399 /nfs/dbraw/zinc/89/63/99/461896399.db2.gz KGXIVXUWXVRQOP-ANQUJSFKSA-N 2 2 343.471 3.058 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647940274 461898509 /nfs/dbraw/zinc/89/85/09/461898509.db2.gz RUSXBVXLECGFND-YWPYICTPSA-N 2 2 343.393 3.092 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000647940274 461898513 /nfs/dbraw/zinc/89/85/13/461898513.db2.gz RUSXBVXLECGFND-YWPYICTPSA-N 2 2 343.393 3.092 20 0 EGADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)CC(C)(C)[NH3+] ZINC000656786510 461898652 /nfs/dbraw/zinc/89/86/52/461898652.db2.gz ZTZXYMBNLIBKRL-UHFFFAOYSA-N 2 2 337.208 3.220 20 0 EGADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)CC(C)(C)[NH3+] ZINC000656786510 461898658 /nfs/dbraw/zinc/89/86/58/461898658.db2.gz ZTZXYMBNLIBKRL-UHFFFAOYSA-N 2 2 337.208 3.220 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666999485 461905309 /nfs/dbraw/zinc/90/53/09/461905309.db2.gz NJWVQEUCGNNDGF-ZDUSSCGKSA-N 2 2 327.241 3.353 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660655095 461905554 /nfs/dbraw/zinc/90/55/54/461905554.db2.gz KKRKJHYYSJJZQK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660655095 461905560 /nfs/dbraw/zinc/90/55/60/461905560.db2.gz KKRKJHYYSJJZQK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660655095 461905567 /nfs/dbraw/zinc/90/55/67/461905567.db2.gz KKRKJHYYSJJZQK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660655095 461905574 /nfs/dbraw/zinc/90/55/74/461905574.db2.gz KKRKJHYYSJJZQK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1nc(C(C)C)ccc1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695949 461926797 /nfs/dbraw/zinc/92/67/97/461926797.db2.gz DPEFEYRHBJELPO-UHFFFAOYSA-N 2 2 333.520 3.086 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650741112 461928560 /nfs/dbraw/zinc/92/85/60/461928560.db2.gz YEUBNNOGKRTDFD-RDJZCZTQSA-N 2 2 344.430 3.475 20 0 EGADLP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182715 461983461 /nfs/dbraw/zinc/98/34/61/461983461.db2.gz LVPCKZVBABFSJX-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182715 461983468 /nfs/dbraw/zinc/98/34/68/461983468.db2.gz LVPCKZVBABFSJX-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182715 461983474 /nfs/dbraw/zinc/98/34/74/461983474.db2.gz LVPCKZVBABFSJX-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@H](CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182715 461983482 /nfs/dbraw/zinc/98/34/82/461983482.db2.gz LVPCKZVBABFSJX-UXHICEINSA-N 3 2 329.532 3.361 20 0 EGADLP COc1cccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000660854101 461996230 /nfs/dbraw/zinc/99/62/30/461996230.db2.gz NNNUHZRWMRFKTN-UHFFFAOYSA-N 2 2 336.439 3.421 20 0 EGADLP COc1ccnc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000660854578 461996962 /nfs/dbraw/zinc/99/69/62/461996962.db2.gz ZIJAPWJMOOUBNH-UHFFFAOYSA-N 2 2 336.439 3.421 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)co2)c1 ZINC000639657435 462042767 /nfs/dbraw/zinc/04/27/67/462042767.db2.gz YLUWRIBZSTUQEC-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)co2)c1 ZINC000639657435 462042774 /nfs/dbraw/zinc/04/27/74/462042774.db2.gz YLUWRIBZSTUQEC-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)co2)c1 ZINC000639657435 462042783 /nfs/dbraw/zinc/04/27/83/462042783.db2.gz YLUWRIBZSTUQEC-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP COc1cccc(-c2nc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)co2)c1 ZINC000639657435 462042792 /nfs/dbraw/zinc/04/27/92/462042792.db2.gz YLUWRIBZSTUQEC-FQEVSTJZSA-N 2 2 341.455 3.268 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)c[nH+]c1N1CCCC[C@H]1C ZINC000667345697 462050145 /nfs/dbraw/zinc/05/01/45/462050145.db2.gz MEAUPHCXRMUQBP-HZPDHXFCSA-N 2 2 345.491 3.032 20 0 EGADLP Cc1cc(NC(=O)N[C@H]2CCC[NH2+]CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000667345701 462050198 /nfs/dbraw/zinc/05/01/98/462050198.db2.gz OJAQRRSEPRFMRR-CVEARBPZSA-N 2 2 345.491 3.032 20 0 EGADLP Cc1c(Br)cncc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000657391307 462092312 /nfs/dbraw/zinc/09/23/12/462092312.db2.gz PVQLXCPJIOFXQT-UHFFFAOYSA-N 2 2 335.249 3.139 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138362 462102643 /nfs/dbraw/zinc/10/26/43/462102643.db2.gz FUKCSFPGGVPBEJ-RDJZCZTQSA-N 2 2 347.507 3.233 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C1CCCCC1 ZINC000651138362 462102648 /nfs/dbraw/zinc/10/26/48/462102648.db2.gz FUKCSFPGGVPBEJ-RDJZCZTQSA-N 2 2 347.507 3.233 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]CC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450318 462123301 /nfs/dbraw/zinc/12/33/01/462123301.db2.gz AQTPFGNZKDYMCR-ROUUACIJSA-N 2 2 338.536 3.347 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]CC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000648450318 462123310 /nfs/dbraw/zinc/12/33/10/462123310.db2.gz AQTPFGNZKDYMCR-ROUUACIJSA-N 2 2 338.536 3.347 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)n1C ZINC000644901448 462124935 /nfs/dbraw/zinc/12/49/35/462124935.db2.gz QZUSBYBZBBHDFJ-UHFFFAOYSA-N 2 2 334.414 3.144 20 0 EGADLP c1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000664678775 462146122 /nfs/dbraw/zinc/14/61/22/462146122.db2.gz MLFCYHBCQXXKSR-QGZVFWFLSA-N 2 2 329.492 3.001 20 0 EGADLP c1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000664678775 462146132 /nfs/dbraw/zinc/14/61/32/462146132.db2.gz MLFCYHBCQXXKSR-QGZVFWFLSA-N 2 2 329.492 3.001 20 0 EGADLP c1nc(N2CCCCC2)cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664678775 462146138 /nfs/dbraw/zinc/14/61/38/462146138.db2.gz MLFCYHBCQXXKSR-QGZVFWFLSA-N 2 2 329.492 3.001 20 0 EGADLP c1nc(N2CCCCC2)cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664678775 462146142 /nfs/dbraw/zinc/14/61/42/462146142.db2.gz MLFCYHBCQXXKSR-QGZVFWFLSA-N 2 2 329.492 3.001 20 0 EGADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000667567015 462147699 /nfs/dbraw/zinc/14/76/99/462147699.db2.gz NNDYCFQEVUKTRO-PXNSSMCTSA-N 2 2 325.456 3.429 20 0 EGADLP C[N@H+](Cc1c[nH+]c2n1CCC2)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000667567015 462147706 /nfs/dbraw/zinc/14/77/06/462147706.db2.gz NNDYCFQEVUKTRO-PXNSSMCTSA-N 2 2 325.456 3.429 20 0 EGADLP FC(F)(F)[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)OC1CCCC1 ZINC000657587423 462192412 /nfs/dbraw/zinc/19/24/12/462192412.db2.gz UXJMPVBHIIKAJI-CQSZACIVSA-N 2 2 327.350 3.314 20 0 EGADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982847 462203847 /nfs/dbraw/zinc/20/38/47/462203847.db2.gz JJNIHTXKAYQTRQ-KRWDZBQOSA-N 2 2 335.536 3.116 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000667681783 462211326 /nfs/dbraw/zinc/21/13/26/462211326.db2.gz RFDOCBQZINSKGU-AWEZNQCLSA-N 2 2 330.394 3.037 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000667681783 462211333 /nfs/dbraw/zinc/21/13/33/462211333.db2.gz RFDOCBQZINSKGU-AWEZNQCLSA-N 2 2 330.394 3.037 20 0 EGADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000657772790 462259273 /nfs/dbraw/zinc/25/92/73/462259273.db2.gz IIOYQFTYFXLUEG-XUJVJEKNSA-N 2 2 329.271 3.243 20 0 EGADLP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000657772790 462259281 /nfs/dbraw/zinc/25/92/81/462259281.db2.gz IIOYQFTYFXLUEG-XUJVJEKNSA-N 2 2 329.271 3.243 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C[N@@H+]1C1CC1 ZINC000657802702 462275587 /nfs/dbraw/zinc/27/55/87/462275587.db2.gz FJWMQEUJTNXAOD-PBEJRMEISA-N 2 2 344.499 3.097 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C[N@H+]1C1CC1 ZINC000657802702 462275592 /nfs/dbraw/zinc/27/55/92/462275592.db2.gz FJWMQEUJTNXAOD-PBEJRMEISA-N 2 2 344.499 3.097 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)on1 ZINC000657820992 462283251 /nfs/dbraw/zinc/28/32/51/462283251.db2.gz YCAADNGKXBNFSL-GJZGRUSLSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)on1 ZINC000657820992 462283256 /nfs/dbraw/zinc/28/32/56/462283256.db2.gz YCAADNGKXBNFSL-GJZGRUSLSA-N 2 2 327.428 3.067 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000651651302 462291133 /nfs/dbraw/zinc/29/11/33/462291133.db2.gz SJZUHZXQVZLPEA-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000651651302 462291136 /nfs/dbraw/zinc/29/11/36/462291136.db2.gz SJZUHZXQVZLPEA-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000651651302 462291141 /nfs/dbraw/zinc/29/11/41/462291141.db2.gz SJZUHZXQVZLPEA-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000651651302 462291145 /nfs/dbraw/zinc/29/11/45/462291145.db2.gz SJZUHZXQVZLPEA-GHTZIAJQSA-N 2 2 338.499 3.405 20 0 EGADLP COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000651681973 462301391 /nfs/dbraw/zinc/30/13/91/462301391.db2.gz HDLLNTWOONPANB-IBGZPJMESA-N 2 2 334.504 3.060 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485474 462344471 /nfs/dbraw/zinc/34/44/71/462344471.db2.gz FOVHKJWIRQKHBT-YJBOKZPZSA-N 2 2 325.456 3.491 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485474 462344475 /nfs/dbraw/zinc/34/44/75/462344475.db2.gz FOVHKJWIRQKHBT-YJBOKZPZSA-N 2 2 325.456 3.491 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485460 462344710 /nfs/dbraw/zinc/34/47/10/462344710.db2.gz FOVHKJWIRQKHBT-QAPCUYQASA-N 2 2 325.456 3.491 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH]c(=O)c1 ZINC000645485460 462344715 /nfs/dbraw/zinc/34/47/15/462344715.db2.gz FOVHKJWIRQKHBT-QAPCUYQASA-N 2 2 325.456 3.491 20 0 EGADLP CN1CC[NH+](Cc2ccccc2-c2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000665190050 462346347 /nfs/dbraw/zinc/34/63/47/462346347.db2.gz DQEFRBWRSJBTRJ-UHFFFAOYSA-N 2 2 332.451 3.491 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)[C@@H]1CCC[NH2+]1 ZINC000665294782 462389380 /nfs/dbraw/zinc/38/93/80/462389380.db2.gz WNTLOSTZHZFYRT-UFYCRDLUSA-N 2 2 332.488 3.002 20 0 EGADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000651955422 462389957 /nfs/dbraw/zinc/38/99/57/462389957.db2.gz LEGLOYWDNHNMET-KRWDZBQOSA-N 2 2 342.487 3.092 20 0 EGADLP COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000651955422 462389962 /nfs/dbraw/zinc/38/99/62/462389962.db2.gz LEGLOYWDNHNMET-KRWDZBQOSA-N 2 2 342.487 3.092 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140659 462447028 /nfs/dbraw/zinc/44/70/28/462447028.db2.gz YVTBPCSPWZATHE-ULQDDVLXSA-N 2 2 348.487 3.380 20 0 EGADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(OC)c(OC)c(OC)c1 ZINC000652140659 462447032 /nfs/dbraw/zinc/44/70/32/462447032.db2.gz YVTBPCSPWZATHE-ULQDDVLXSA-N 2 2 348.487 3.380 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000649344315 462482619 /nfs/dbraw/zinc/48/26/19/462482619.db2.gz OOSRESKSUASQEG-MRXNPFEDSA-N 2 2 326.444 3.287 20 0 EGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104310 462518519 /nfs/dbraw/zinc/51/85/19/462518519.db2.gz JQBVHTFMXOZEFJ-INIZCTEOSA-N 2 2 341.455 3.199 20 0 EGADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104310 462518521 /nfs/dbraw/zinc/51/85/21/462518521.db2.gz JQBVHTFMXOZEFJ-INIZCTEOSA-N 2 2 341.455 3.199 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000181951336 534158422 /nfs/dbraw/zinc/15/84/22/534158422.db2.gz JSOWVMICJONFPY-AWEZNQCLSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000181951336 534158427 /nfs/dbraw/zinc/15/84/27/534158427.db2.gz JSOWVMICJONFPY-AWEZNQCLSA-N 2 2 336.863 3.044 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000131830813 528531298 /nfs/dbraw/zinc/53/12/98/528531298.db2.gz ZOXDFXFQHFLOLM-UONOGXRCSA-N 2 2 340.899 3.018 20 0 EGADLP CC[N@@H+](Cc1cccc(OC)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390765 528813979 /nfs/dbraw/zinc/81/39/79/528813979.db2.gz YORONFOMYLLZNL-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1cccc(OC)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390765 528813982 /nfs/dbraw/zinc/81/39/82/528813982.db2.gz YORONFOMYLLZNL-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000246703334 535206925 /nfs/dbraw/zinc/20/69/25/535206925.db2.gz XJEPXUXMDMXBNE-BZUAXINKSA-N 2 2 347.463 3.083 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000246703334 535206927 /nfs/dbraw/zinc/20/69/27/535206927.db2.gz XJEPXUXMDMXBNE-BZUAXINKSA-N 2 2 347.463 3.083 20 0 EGADLP CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186327441 535698900 /nfs/dbraw/zinc/69/89/00/535698900.db2.gz FGLFSWXRGLJWSL-IBGZPJMESA-N 2 2 348.450 3.071 20 0 EGADLP CCN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186327441 535698905 /nfs/dbraw/zinc/69/89/05/535698905.db2.gz FGLFSWXRGLJWSL-IBGZPJMESA-N 2 2 348.450 3.071 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccc(C)cc1 ZINC000342794193 535895062 /nfs/dbraw/zinc/89/50/62/535895062.db2.gz KFHDWKFHBUCQMF-IBGZPJMESA-N 2 2 332.488 3.453 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231669392 536175781 /nfs/dbraw/zinc/17/57/81/536175781.db2.gz HIHBEXXQSSJQKJ-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231669392 536175782 /nfs/dbraw/zinc/17/57/82/536175782.db2.gz HIHBEXXQSSJQKJ-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000088738584 546642486 /nfs/dbraw/zinc/64/24/86/546642486.db2.gz WEFRPIIKMMPTQE-RXVVDRJESA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000088738584 546642488 /nfs/dbraw/zinc/64/24/88/546642488.db2.gz WEFRPIIKMMPTQE-RXVVDRJESA-N 2 2 348.494 3.295 20 0 EGADLP Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cn1 ZINC000092370910 546673186 /nfs/dbraw/zinc/67/31/86/546673186.db2.gz WKFWUGCHNPZODX-UHFFFAOYSA-N 2 2 344.890 3.085 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000163693230 546975384 /nfs/dbraw/zinc/97/53/84/546975384.db2.gz FUHMVGUSZLFFFH-KRWDZBQOSA-N 2 2 334.504 3.483 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246202551 547276230 /nfs/dbraw/zinc/27/62/30/547276230.db2.gz LZHSKNUSIWCHDP-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246202551 547276233 /nfs/dbraw/zinc/27/62/33/547276233.db2.gz LZHSKNUSIWCHDP-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246202551 547276237 /nfs/dbraw/zinc/27/62/37/547276237.db2.gz LZHSKNUSIWCHDP-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246202551 547276242 /nfs/dbraw/zinc/27/62/42/547276242.db2.gz LZHSKNUSIWCHDP-WOJBJXKFSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000387452732 547824049 /nfs/dbraw/zinc/82/40/49/547824049.db2.gz QTYHGBHPUOUZJI-SFHVURJKSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC[NH+](C)CC1 ZINC000387452732 547824052 /nfs/dbraw/zinc/82/40/52/547824052.db2.gz QTYHGBHPUOUZJI-SFHVURJKSA-N 3 2 329.532 3.361 20 0 EGADLP [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415183728 547864368 /nfs/dbraw/zinc/86/43/68/547864368.db2.gz JAJUKRRRVUEIDK-UONOGXRCSA-N 2 2 326.400 3.265 20 0 EGADLP C[C@H](c1ccccc1F)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947160 547885745 /nfs/dbraw/zinc/88/57/45/547885745.db2.gz ZNWMOHPHRILERY-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccccc1F)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947160 547885748 /nfs/dbraw/zinc/88/57/48/547885748.db2.gz ZNWMOHPHRILERY-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425947160 547885752 /nfs/dbraw/zinc/88/57/52/547885752.db2.gz ZNWMOHPHRILERY-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425947160 547885755 /nfs/dbraw/zinc/88/57/55/547885755.db2.gz ZNWMOHPHRILERY-DYESRHJHSA-N 2 2 342.458 3.456 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4C[C@]45CC[NH2+]C5)cc3)[nH+]c12 ZINC000444172239 547922161 /nfs/dbraw/zinc/92/21/61/547922161.db2.gz XGZKZSWAFPYMCF-UTKZUKDTSA-N 2 2 346.434 3.248 20 0 EGADLP C[N@@H+](Cc1cnc(C2CC2)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459348718 547942476 /nfs/dbraw/zinc/94/24/76/547942476.db2.gz MSYKWLIOQLKEBW-GOSISDBHSA-N 2 2 336.483 3.308 20 0 EGADLP C[N@H+](Cc1cnc(C2CC2)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459348718 547942479 /nfs/dbraw/zinc/94/24/79/547942479.db2.gz MSYKWLIOQLKEBW-GOSISDBHSA-N 2 2 336.483 3.308 20 0 EGADLP C[NH+](Cc1cnc(C2CC2)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459348718 547942483 /nfs/dbraw/zinc/94/24/83/547942483.db2.gz MSYKWLIOQLKEBW-GOSISDBHSA-N 2 2 336.483 3.308 20 0 EGADLP C[NH+](Cc1cnc(C2CC2)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459348718 547942486 /nfs/dbraw/zinc/94/24/86/547942486.db2.gz MSYKWLIOQLKEBW-GOSISDBHSA-N 2 2 336.483 3.308 20 0 EGADLP Clc1cccc2c(N3CC[NH+](C[C@@H]4CCCO4)CC3)cc[nH+]c12 ZINC000672142546 548391064 /nfs/dbraw/zinc/39/10/64/548391064.db2.gz WDFBMSIKKQJIMO-AWEZNQCLSA-N 2 2 331.847 3.189 20 0 EGADLP OC[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000672619935 548454464 /nfs/dbraw/zinc/45/44/64/548454464.db2.gz KVJDDLGVODUGGS-INIZCTEOSA-N 2 2 345.874 3.070 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675735559 548970138 /nfs/dbraw/zinc/97/01/38/548970138.db2.gz NQLYEUWKVPQGRE-YRNRMSPPSA-N 2 2 332.488 3.162 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675735559 548970142 /nfs/dbraw/zinc/97/01/42/548970142.db2.gz NQLYEUWKVPQGRE-YRNRMSPPSA-N 2 2 332.488 3.162 20 0 EGADLP COc1cccc2c1OCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000675748324 548973784 /nfs/dbraw/zinc/97/37/84/548973784.db2.gz XLZSFZUPIAVBTF-KRWDZBQOSA-N 2 2 339.439 3.172 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2sccc2Br)CC1 ZINC000675771135 548978133 /nfs/dbraw/zinc/97/81/33/548978133.db2.gz LNBQSLYPULMKCY-NSHDSACASA-N 2 2 347.322 3.272 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCCO2 ZINC000675881147 548995393 /nfs/dbraw/zinc/99/53/93/548995393.db2.gz JYKBEBJPJTZDCW-MJGOQNOKSA-N 2 2 348.462 3.272 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000675926115 549005970 /nfs/dbraw/zinc/00/59/70/549005970.db2.gz KFUYQWKEITYHIN-WBVHZDCISA-N 2 2 344.528 3.352 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000675926115 549005973 /nfs/dbraw/zinc/00/59/73/549005973.db2.gz KFUYQWKEITYHIN-WBVHZDCISA-N 2 2 344.528 3.352 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000676643435 549121788 /nfs/dbraw/zinc/12/17/88/549121788.db2.gz JYPWYAGNIGEVDI-MRXNPFEDSA-N 2 2 349.482 3.284 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000678080644 549392867 /nfs/dbraw/zinc/39/28/67/549392867.db2.gz LASQGEMWMGGUTG-WBVHZDCISA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000678080644 549392870 /nfs/dbraw/zinc/39/28/70/549392870.db2.gz LASQGEMWMGGUTG-WBVHZDCISA-N 2 2 337.427 3.325 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285375 549460684 /nfs/dbraw/zinc/46/06/84/549460684.db2.gz ZGVPVQSXMPJTSX-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285375 549460689 /nfs/dbraw/zinc/46/06/89/549460689.db2.gz ZGVPVQSXMPJTSX-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285375 549460693 /nfs/dbraw/zinc/46/06/93/549460693.db2.gz ZGVPVQSXMPJTSX-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285375 549460696 /nfs/dbraw/zinc/46/06/96/549460696.db2.gz ZGVPVQSXMPJTSX-INIZCTEOSA-N 2 2 346.906 3.358 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783731 549560823 /nfs/dbraw/zinc/56/08/23/549560823.db2.gz QSJGGRNQALSEIJ-FXAWDEMLSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783731 549560826 /nfs/dbraw/zinc/56/08/26/549560826.db2.gz QSJGGRNQALSEIJ-FXAWDEMLSA-N 2 2 348.437 3.498 20 0 EGADLP CC[NH+](Cc1ccoc1)CC1(C[N@H+](CC)Cc2ccoc2)COC1 ZINC000679851904 549781405 /nfs/dbraw/zinc/78/14/05/549781405.db2.gz UHUQXZRPVXHZIF-UHFFFAOYSA-N 2 2 332.444 3.233 20 0 EGADLP CC[NH+](Cc1ccoc1)CC1(C[N@@H+](CC)Cc2ccoc2)COC1 ZINC000679851904 549781407 /nfs/dbraw/zinc/78/14/07/549781407.db2.gz UHUQXZRPVXHZIF-UHFFFAOYSA-N 2 2 332.444 3.233 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643842 550125683 /nfs/dbraw/zinc/12/56/83/550125683.db2.gz QXLGDXLUGFXDJG-VQTJNVASSA-N 2 2 340.515 3.414 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682643842 550125685 /nfs/dbraw/zinc/12/56/85/550125685.db2.gz QXLGDXLUGFXDJG-VQTJNVASSA-N 2 2 340.515 3.414 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000682780880 550143971 /nfs/dbraw/zinc/14/39/71/550143971.db2.gz OYQORGBVKLYGFI-CEXWTWQISA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000682780880 550143973 /nfs/dbraw/zinc/14/39/73/550143973.db2.gz OYQORGBVKLYGFI-CEXWTWQISA-N 2 2 325.456 3.373 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684203231 550304073 /nfs/dbraw/zinc/30/40/73/550304073.db2.gz DYXYHLZNDXCENM-NHCUHLMSSA-N 2 2 335.451 3.277 20 0 EGADLP O[C@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684203231 550304074 /nfs/dbraw/zinc/30/40/74/550304074.db2.gz DYXYHLZNDXCENM-NHCUHLMSSA-N 2 2 335.451 3.277 20 0 EGADLP CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000684212225 550305324 /nfs/dbraw/zinc/30/53/24/550305324.db2.gz OFYLTZGLZQIIIF-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000684212225 550305326 /nfs/dbraw/zinc/30/53/26/550305326.db2.gz OFYLTZGLZQIIIF-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000684212225 550305329 /nfs/dbraw/zinc/30/53/29/550305329.db2.gz OFYLTZGLZQIIIF-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)nc1 ZINC000684212225 550305331 /nfs/dbraw/zinc/30/53/31/550305331.db2.gz OFYLTZGLZQIIIF-KDURUIRLSA-N 2 2 337.467 3.044 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000727758181 574688908 /nfs/dbraw/zinc/68/89/08/574688908.db2.gz QYUAAKRTMKZHPX-MRXNPFEDSA-N 2 2 327.513 3.098 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000727758181 574688909 /nfs/dbraw/zinc/68/89/09/574688909.db2.gz QYUAAKRTMKZHPX-MRXNPFEDSA-N 2 2 327.513 3.098 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728115884 574718011 /nfs/dbraw/zinc/71/80/11/574718011.db2.gz VGZPANFZTXDLSI-WMLDXEAASA-N 2 2 342.405 3.299 20 0 EGADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728115884 574718013 /nfs/dbraw/zinc/71/80/13/574718013.db2.gz VGZPANFZTXDLSI-WMLDXEAASA-N 2 2 342.405 3.299 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2CNc2nc(N3CCCC3)cc[nH+]2)cc1 ZINC000734145256 575441802 /nfs/dbraw/zinc/44/18/02/575441802.db2.gz KWUCXKZEFLFGKM-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2CNc2nc(N3CCCC3)cc[nH+]2)cc1 ZINC000734145256 575441803 /nfs/dbraw/zinc/44/18/03/575441803.db2.gz KWUCXKZEFLFGKM-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP Fc1ccc(-c2ccn(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742168972 576754894 /nfs/dbraw/zinc/75/48/94/576754894.db2.gz MQLZCQALVDYYJR-KRWDZBQOSA-N 2 2 342.462 3.455 20 0 EGADLP Fc1ccc(-c2ccn(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000742168972 576754895 /nfs/dbraw/zinc/75/48/95/576754895.db2.gz MQLZCQALVDYYJR-KRWDZBQOSA-N 2 2 342.462 3.455 20 0 EGADLP Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000742220476 576759290 /nfs/dbraw/zinc/75/92/90/576759290.db2.gz OAICLWJTLZIPCD-HXUWFJFHSA-N 2 2 342.483 3.089 20 0 EGADLP Cc1ccc(CC[N@H+](Cc2ccco2)C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000742220476 576759293 /nfs/dbraw/zinc/75/92/93/576759293.db2.gz OAICLWJTLZIPCD-HXUWFJFHSA-N 2 2 342.483 3.089 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000743273552 576805039 /nfs/dbraw/zinc/80/50/39/576805039.db2.gz RXACGXMHIPORCD-FGZHOGPDSA-N 2 2 336.479 3.243 20 0 EGADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000743273552 576805040 /nfs/dbraw/zinc/80/50/40/576805040.db2.gz RXACGXMHIPORCD-FGZHOGPDSA-N 2 2 336.479 3.243 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccccc1Cl ZINC000045858393 1291519328 /nfs/dbraw/zinc/51/93/28/1291519328.db2.gz REAGIDSPVSSZCO-PBHICJAKSA-N 2 2 348.878 3.297 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000067183957 1292151786 /nfs/dbraw/zinc/15/17/86/1292151786.db2.gz GCZKRJQQOMNPEJ-QGZVFWFLSA-N 2 2 338.455 3.407 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000067183957 1292151792 /nfs/dbraw/zinc/15/17/92/1292151792.db2.gz GCZKRJQQOMNPEJ-QGZVFWFLSA-N 2 2 338.455 3.407 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]CCCn3cc[nH+]c3)cs2)cc1 ZINC000073697075 1292323595 /nfs/dbraw/zinc/32/35/95/1292323595.db2.gz XMPHWEVMGCHOGE-UHFFFAOYSA-N 2 2 342.468 3.407 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccnc2Cl)cn1 ZINC000126358629 1293531928 /nfs/dbraw/zinc/53/19/28/1293531928.db2.gz LGYUJIHVZNBSNO-GFCCVEGCSA-N 2 2 327.819 3.475 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3cscn3)CC2)cc1 ZINC000134855582 1293782711 /nfs/dbraw/zinc/78/27/11/1293782711.db2.gz QWSFJPMMJQQDIS-UHFFFAOYSA-N 2 2 330.501 3.010 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2cc1F ZINC000153441338 1294014276 /nfs/dbraw/zinc/01/42/76/1294014276.db2.gz XSLNDYYJMZSMBE-AWEZNQCLSA-N 2 2 334.414 3.222 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2cc1F ZINC000153441338 1294014281 /nfs/dbraw/zinc/01/42/81/1294014281.db2.gz XSLNDYYJMZSMBE-AWEZNQCLSA-N 2 2 334.414 3.222 20 0 EGADLP CO[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)C ZINC000154961678 1294078337 /nfs/dbraw/zinc/07/83/37/1294078337.db2.gz CQFNDJSHBRKXAE-LJQANCHMSA-N 2 2 333.520 3.372 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cncc(Br)c1 ZINC000157876246 1294189873 /nfs/dbraw/zinc/18/98/73/1294189873.db2.gz OPHBUKUGEMURLQ-CQSZACIVSA-N 2 2 337.265 3.245 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccnc(Cl)c1 ZINC000163728414 1294338675 /nfs/dbraw/zinc/33/86/75/1294338675.db2.gz AVARKJFKOOYVHC-OAHLLOKOSA-N 2 2 345.874 3.418 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000180728458 1294910039 /nfs/dbraw/zinc/91/00/39/1294910039.db2.gz CQHBOWPPIPXTPZ-HZPDHXFCSA-N 2 2 348.491 3.167 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000237313506 1296235015 /nfs/dbraw/zinc/23/50/15/1296235015.db2.gz RWKQWPJRWCNVRX-INIZCTEOSA-N 2 2 334.423 3.379 20 0 EGADLP [NH3+][C@H](C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1)C1CCCC1 ZINC000871666318 1296472119 /nfs/dbraw/zinc/47/21/19/1296472119.db2.gz CIVRDFHHYKENIT-FUHWJXTLSA-N 2 2 343.519 3.201 20 0 EGADLP [NH3+][C@H](C[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1)C1CCCC1 ZINC000871666318 1296472120 /nfs/dbraw/zinc/47/21/20/1296472120.db2.gz CIVRDFHHYKENIT-FUHWJXTLSA-N 2 2 343.519 3.201 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000301513857 1296789016 /nfs/dbraw/zinc/78/90/16/1296789016.db2.gz LJMJIVDKIYUVGG-TWMKSMIVSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)[NH+](C)C ZINC000301513859 1296790128 /nfs/dbraw/zinc/79/01/28/1296790128.db2.gz LJMJIVDKIYUVGG-YYIAUSFCSA-N 2 2 339.524 3.094 20 0 EGADLP CC(C)c1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000305131308 1296983155 /nfs/dbraw/zinc/98/31/55/1296983155.db2.gz JXMOOJNBBZHQCR-SJORKVTESA-N 2 2 337.533 3.124 20 0 EGADLP C[C@@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000305680853 1297022469 /nfs/dbraw/zinc/02/24/69/1297022469.db2.gz KQAPDCARDVDLIP-LJQANCHMSA-N 2 2 325.387 3.009 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202944 1297348378 /nfs/dbraw/zinc/34/83/78/1297348378.db2.gz INQGVBOBXBCNJS-UHFFFAOYSA-N 2 2 349.887 3.118 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202944 1297348392 /nfs/dbraw/zinc/34/83/92/1297348392.db2.gz INQGVBOBXBCNJS-UHFFFAOYSA-N 2 2 349.887 3.118 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378905447 1297528165 /nfs/dbraw/zinc/52/81/65/1297528165.db2.gz YWUDGZOCFVEHHT-DLBZAZTESA-N 2 2 328.481 3.368 20 0 EGADLP c1cc(-c2ccccc2)sc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000378905447 1297528168 /nfs/dbraw/zinc/52/81/68/1297528168.db2.gz YWUDGZOCFVEHHT-DLBZAZTESA-N 2 2 328.481 3.368 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000382615665 1297562277 /nfs/dbraw/zinc/56/22/77/1297562277.db2.gz YIBGDBZZOYSHPS-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C12CCC2 ZINC000453178150 1297892179 /nfs/dbraw/zinc/89/21/79/1297892179.db2.gz SBYYWTOJRHUPAC-ATZDWAIDSA-N 2 2 329.488 3.154 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692141487 1298141100 /nfs/dbraw/zinc/14/11/00/1298141100.db2.gz RFBGYOJVBWJEIF-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCCC2)CCN1C(=O)OC(C)(C)C ZINC000692141495 1298141237 /nfs/dbraw/zinc/14/12/37/1298141237.db2.gz RFBGYOJVBWJEIF-IRXDYDNUSA-N 2 2 339.524 3.240 20 0 EGADLP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000693880201 1298153284 /nfs/dbraw/zinc/15/32/84/1298153284.db2.gz VFTURMZAJSRFHK-HZPDHXFCSA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000693880201 1298153287 /nfs/dbraw/zinc/15/32/87/1298153287.db2.gz VFTURMZAJSRFHK-HZPDHXFCSA-N 2 2 341.540 3.246 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000724030688 1298344792 /nfs/dbraw/zinc/34/47/92/1298344792.db2.gz PIKGVWSCCIXKJR-OWCLPIDISA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000724030688 1298344804 /nfs/dbraw/zinc/34/48/04/1298344804.db2.gz PIKGVWSCCIXKJR-OWCLPIDISA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651002 1298631280 /nfs/dbraw/zinc/63/12/80/1298631280.db2.gz GZFVLFLGGVGFPK-CZUORRHYSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000746651002 1298631295 /nfs/dbraw/zinc/63/12/95/1298631295.db2.gz GZFVLFLGGVGFPK-CZUORRHYSA-N 2 2 330.394 3.155 20 0 EGADLP CC(C)CCCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000747907047 1298886373 /nfs/dbraw/zinc/88/63/73/1298886373.db2.gz GCMXJFOPPQNLBQ-IBGZPJMESA-N 2 2 337.552 3.220 20 0 EGADLP CC(C)CCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000747907047 1298886384 /nfs/dbraw/zinc/88/63/84/1298886384.db2.gz GCMXJFOPPQNLBQ-IBGZPJMESA-N 2 2 337.552 3.220 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877087495 1299152120 /nfs/dbraw/zinc/15/21/20/1299152120.db2.gz ZEOOJVHQUCCZJI-QWHZDKJVSA-N 2 2 344.890 3.376 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877087495 1299152122 /nfs/dbraw/zinc/15/21/22/1299152122.db2.gz ZEOOJVHQUCCZJI-QWHZDKJVSA-N 2 2 344.890 3.376 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877115967 1299162013 /nfs/dbraw/zinc/16/20/13/1299162013.db2.gz YBXQYPYIWKKUNI-OCCSQVGLSA-N 2 2 328.287 3.390 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000749355829 1299201169 /nfs/dbraw/zinc/20/11/69/1299201169.db2.gz ULSDHBBCDPWJPJ-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000749355829 1299201175 /nfs/dbraw/zinc/20/11/75/1299201175.db2.gz ULSDHBBCDPWJPJ-SJLPKXTDSA-N 2 2 346.519 3.069 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877744122 1299521654 /nfs/dbraw/zinc/52/16/54/1299521654.db2.gz OUGYXHFQXVKIJD-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)ccc1OC ZINC000877744122 1299521661 /nfs/dbraw/zinc/52/16/61/1299521661.db2.gz OUGYXHFQXVKIJD-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1OC ZINC000877744122 1299521668 /nfs/dbraw/zinc/52/16/68/1299521668.db2.gz OUGYXHFQXVKIJD-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP CC[C@H](C)Oc1cc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccc1OC ZINC000877744122 1299521675 /nfs/dbraw/zinc/52/16/75/1299521675.db2.gz OUGYXHFQXVKIJD-RYQLBKOJSA-N 2 2 332.488 3.399 20 0 EGADLP C[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000754500679 1300154509 /nfs/dbraw/zinc/15/45/09/1300154509.db2.gz QYNHGFKDRZUIED-XHSDSOJGSA-N 2 2 327.428 3.177 20 0 EGADLP C[C@@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000754500679 1300154514 /nfs/dbraw/zinc/15/45/14/1300154514.db2.gz QYNHGFKDRZUIED-XHSDSOJGSA-N 2 2 327.428 3.177 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C2 ZINC000756033769 1300429779 /nfs/dbraw/zinc/42/97/79/1300429779.db2.gz WTFAGZCPBKKWAE-QFBILLFUSA-N 2 2 327.472 3.454 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757642357 1300700974 /nfs/dbraw/zinc/70/09/74/1300700974.db2.gz LMUXCLQXVLQIRO-YJBOKZPZSA-N 2 2 348.450 3.390 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757642357 1300700981 /nfs/dbraw/zinc/70/09/81/1300700981.db2.gz LMUXCLQXVLQIRO-YJBOKZPZSA-N 2 2 348.450 3.390 20 0 EGADLP c1cn(C[C@@H]([NH2+]CC2CCC3(CC2)OCCO3)c2ccccc2)c[nH+]1 ZINC000880569133 1301166741 /nfs/dbraw/zinc/16/67/41/1301166741.db2.gz HXEPZLMYYVRUAK-LJQANCHMSA-N 2 2 341.455 3.147 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccccc3)cc12 ZINC000880572132 1301168089 /nfs/dbraw/zinc/16/80/89/1301168089.db2.gz XCOUUIDYNDJUBI-LJQANCHMSA-N 2 2 346.438 3.004 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cc2)c[nH+]1 ZINC000762612676 1301712558 /nfs/dbraw/zinc/71/25/58/1301712558.db2.gz HYMICIUYGQZNAX-BRWVUGGUSA-N 2 2 331.510 3.342 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000764678646 1302116180 /nfs/dbraw/zinc/11/61/80/1302116180.db2.gz ROLCABUQAOISOJ-UHFFFAOYSA-N 2 2 335.496 3.042 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000882949807 1302178387 /nfs/dbraw/zinc/17/83/87/1302178387.db2.gz IKBWYECNAAKXCM-MRXNPFEDSA-N 2 2 347.528 3.048 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000765324923 1302247050 /nfs/dbraw/zinc/24/70/50/1302247050.db2.gz KYWGEGUIZWPPIN-UHFFFAOYSA-N 2 2 326.488 3.371 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000765973767 1302360396 /nfs/dbraw/zinc/36/03/96/1302360396.db2.gz FNPPAOOABHSMDO-RHSMWYFYSA-N 2 2 336.451 3.128 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000766139058 1302399402 /nfs/dbraw/zinc/39/94/02/1302399402.db2.gz ITRIQOZKDHGDRL-VAMGGRTRSA-N 2 2 343.515 3.125 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387801 1302425605 /nfs/dbraw/zinc/42/56/05/1302425605.db2.gz FIECHEPXJOTDHY-OAGGEKHMSA-N 2 2 339.361 3.324 20 0 EGADLP C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000767434220 1302675634 /nfs/dbraw/zinc/67/56/34/1302675634.db2.gz LVGHUOUDNYUUMI-BBRMVZONSA-N 2 2 341.390 3.155 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000767434220 1302675645 /nfs/dbraw/zinc/67/56/45/1302675645.db2.gz LVGHUOUDNYUUMI-BBRMVZONSA-N 2 2 341.390 3.155 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000770025560 1303209716 /nfs/dbraw/zinc/20/97/16/1303209716.db2.gz OIFMBWFITYQBQC-HNNXBMFYSA-N 2 2 337.427 3.158 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000770025560 1303209723 /nfs/dbraw/zinc/20/97/23/1303209723.db2.gz OIFMBWFITYQBQC-HNNXBMFYSA-N 2 2 337.427 3.158 20 0 EGADLP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000886069875 1303346115 /nfs/dbraw/zinc/34/61/15/1303346115.db2.gz LOGBUZCMKCEOHG-QGZVFWFLSA-N 2 2 335.455 3.099 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)[C@H]3CCCC[C@@H]3C)CC2)[nH+]c1C ZINC000886664675 1303544851 /nfs/dbraw/zinc/54/48/51/1303544851.db2.gz UNLDZGJQAUDTRU-KSSFIOAISA-N 2 2 346.519 3.243 20 0 EGADLP c1cn(-c2ccccc2C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c[nH+]1 ZINC000775379321 1303949851 /nfs/dbraw/zinc/94/98/51/1303949851.db2.gz QJMQUENDNNWEQE-PVAVHDDUSA-N 2 2 331.510 3.342 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000775634334 1303999031 /nfs/dbraw/zinc/99/90/31/1303999031.db2.gz OBTFXFRIHQBZEA-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000775634334 1303999037 /nfs/dbraw/zinc/99/90/37/1303999037.db2.gz OBTFXFRIHQBZEA-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888573456 1304200099 /nfs/dbraw/zinc/20/00/99/1304200099.db2.gz OPTWLBVGCUCISP-UHFFFAOYSA-N 2 2 344.484 3.447 20 0 EGADLP CC(C)c1cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000780330894 1304677601 /nfs/dbraw/zinc/67/76/01/1304677601.db2.gz IIYXDDYDMFFLHS-UHFFFAOYSA-N 2 2 335.492 3.122 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)CC3 ZINC000782756756 1305009650 /nfs/dbraw/zinc/00/96/50/1305009650.db2.gz GRLHOTABLBQVPH-CVEARBPZSA-N 2 2 341.499 3.498 20 0 EGADLP CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000782944375 1305026842 /nfs/dbraw/zinc/02/68/42/1305026842.db2.gz GFGQGRBYWNAGGI-IBGZPJMESA-N 2 2 346.519 3.227 20 0 EGADLP FC(F)(F)Cc1ncc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000891725582 1305147778 /nfs/dbraw/zinc/14/77/78/1305147778.db2.gz RUFYUDXJNNLRDB-JTQLQIEISA-N 2 2 330.379 3.351 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000783997461 1305172931 /nfs/dbraw/zinc/17/29/31/1305172931.db2.gz VGJGWDIUOYOLBI-ROUUACIJSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000783997461 1305172937 /nfs/dbraw/zinc/17/29/37/1305172937.db2.gz VGJGWDIUOYOLBI-ROUUACIJSA-N 2 2 344.503 3.128 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823349 1305179450 /nfs/dbraw/zinc/17/94/50/1305179450.db2.gz QPRMTCGSWLODKZ-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823349 1305179455 /nfs/dbraw/zinc/17/94/55/1305179455.db2.gz QPRMTCGSWLODKZ-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823349 1305179458 /nfs/dbraw/zinc/17/94/58/1305179458.db2.gz QPRMTCGSWLODKZ-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823349 1305179462 /nfs/dbraw/zinc/17/94/62/1305179462.db2.gz QPRMTCGSWLODKZ-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP CCn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(C)n1 ZINC000892677287 1305501628 /nfs/dbraw/zinc/50/16/28/1305501628.db2.gz YNGDVAQXONYDOC-UHFFFAOYSA-N 2 2 327.407 3.134 20 0 EGADLP CCC(CC)(C[NH2+]C1CCS(=O)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000892980653 1305636627 /nfs/dbraw/zinc/63/66/27/1305636627.db2.gz GBAUUQVRRWKMDP-NEAIJXHWSA-N 2 2 336.545 3.397 20 0 EGADLP Cc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cnc1F ZINC000893082148 1305697438 /nfs/dbraw/zinc/69/74/38/1305697438.db2.gz YEXOSGDNXXWMEC-UHFFFAOYSA-N 2 2 342.462 3.354 20 0 EGADLP CCCCn1c(SCC[NH+]2CCCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000789446240 1306162442 /nfs/dbraw/zinc/16/24/42/1306162442.db2.gz XYCVQTUXIDWPEN-OAHLLOKOSA-N 2 2 339.553 3.279 20 0 EGADLP C[N@H+]1C[C@@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000894085081 1306207612 /nfs/dbraw/zinc/20/76/12/1306207612.db2.gz YKJLHDQFYSJIMP-BETUJISGSA-N 2 2 337.489 3.089 20 0 EGADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3sccc3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000894085081 1306207616 /nfs/dbraw/zinc/20/76/16/1306207616.db2.gz YKJLHDQFYSJIMP-BETUJISGSA-N 2 2 337.489 3.089 20 0 EGADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3sccc3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000894085081 1306207621 /nfs/dbraw/zinc/20/76/21/1306207621.db2.gz YKJLHDQFYSJIMP-BETUJISGSA-N 2 2 337.489 3.089 20 0 EGADLP C[NH+]1C[C@@H]2C[N@H+](Cc3sccc3NC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000894085081 1306207627 /nfs/dbraw/zinc/20/76/27/1306207627.db2.gz YKJLHDQFYSJIMP-BETUJISGSA-N 2 2 337.489 3.089 20 0 EGADLP Cc1ncoc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093868 1306215130 /nfs/dbraw/zinc/21/51/30/1306215130.db2.gz IYWVHQQORMYHES-OALUTQOASA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093868 1306215139 /nfs/dbraw/zinc/21/51/39/1306215139.db2.gz IYWVHQQORMYHES-OALUTQOASA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000894093868 1306215147 /nfs/dbraw/zinc/21/51/47/1306215147.db2.gz IYWVHQQORMYHES-OALUTQOASA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093868 1306215150 /nfs/dbraw/zinc/21/51/50/1306215150.db2.gz IYWVHQQORMYHES-OALUTQOASA-N 2 2 325.456 3.470 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000793523848 1309392809 /nfs/dbraw/zinc/39/28/09/1309392809.db2.gz GLTUPVJYWBQXBZ-HQRMLTQVSA-N 2 2 332.488 3.379 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000793523848 1309392821 /nfs/dbraw/zinc/39/28/21/1309392821.db2.gz GLTUPVJYWBQXBZ-HQRMLTQVSA-N 2 2 332.488 3.379 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000895654168 1309449227 /nfs/dbraw/zinc/44/92/27/1309449227.db2.gz GNHWJDLKFFTGCF-UHFFFAOYSA-N 2 2 344.499 3.088 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000795900658 1309857090 /nfs/dbraw/zinc/85/70/90/1309857090.db2.gz FUFRSNNQUDFTNE-LJQANCHMSA-N 2 2 327.472 3.455 20 0 EGADLP COc1cccc2c(NC[C@H]3CC[N@@H+]3C3CCOCC3)cc(C)[nH+]c12 ZINC000896520149 1309898942 /nfs/dbraw/zinc/89/89/42/1309898942.db2.gz ADFMOTBMAKNGPQ-MRXNPFEDSA-N 2 2 341.455 3.217 20 0 EGADLP COc1cccc2c(NC[C@H]3CC[N@H+]3C3CCOCC3)cc(C)[nH+]c12 ZINC000896520149 1309898946 /nfs/dbraw/zinc/89/89/46/1309898946.db2.gz ADFMOTBMAKNGPQ-MRXNPFEDSA-N 2 2 341.455 3.217 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164577 1310496423 /nfs/dbraw/zinc/49/64/23/1310496423.db2.gz LVUYPSZVLSPPRI-RHSMWYFYSA-N 2 2 330.863 3.130 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(Cl)cn1 ZINC000799164577 1310496431 /nfs/dbraw/zinc/49/64/31/1310496431.db2.gz LVUYPSZVLSPPRI-RHSMWYFYSA-N 2 2 330.863 3.130 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000799175282 1310498485 /nfs/dbraw/zinc/49/84/85/1310498485.db2.gz UJQCUUKLQDJESB-MRXNPFEDSA-N 2 2 330.394 3.157 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000799175282 1310498490 /nfs/dbraw/zinc/49/84/90/1310498490.db2.gz UJQCUUKLQDJESB-MRXNPFEDSA-N 2 2 330.394 3.157 20 0 EGADLP C[C@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000897970276 1310533612 /nfs/dbraw/zinc/53/36/12/1310533612.db2.gz RSYSMRBMQZMSMB-QGZVFWFLSA-N 2 2 338.499 3.337 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1(Cl)Cl ZINC000824771370 1320283834 /nfs/dbraw/zinc/28/38/34/1320283834.db2.gz BQPSXZONUHUKHT-OAHLLOKOSA-N 2 2 328.287 3.220 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001019039989 1317018070 /nfs/dbraw/zinc/01/80/70/1317018070.db2.gz CLUCIRODNYYFAN-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902349850 1317566477 /nfs/dbraw/zinc/56/64/77/1317566477.db2.gz RYGXGXQJDZFQEK-FQEVSTJZSA-N 3 2 329.532 3.327 20 0 EGADLP COCc1cc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])ccc1OC ZINC000902442552 1317579461 /nfs/dbraw/zinc/57/94/61/1317579461.db2.gz JMBWILBXMPLHRZ-CYFNAFFESA-N 2 2 326.440 3.117 20 0 EGADLP COc1cccc(-c2cc(C[NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)on2)c1 ZINC000902452187 1317579753 /nfs/dbraw/zinc/57/97/53/1317579753.db2.gz KBWIIEGOUIOPJY-NZSAHSFTSA-N 2 2 341.455 3.216 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296442 1317632812 /nfs/dbraw/zinc/63/28/12/1317632812.db2.gz QMIGZGAAFSAZNZ-QAQDUYKDSA-N 2 2 348.450 3.230 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972954 1317635616 /nfs/dbraw/zinc/63/56/16/1317635616.db2.gz MSTKPJKAMJXYLU-KGLIPLIRSA-N 2 2 345.409 3.252 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(F)(F)F)cn1 ZINC000902972954 1317635622 /nfs/dbraw/zinc/63/56/22/1317635622.db2.gz MSTKPJKAMJXYLU-KGLIPLIRSA-N 2 2 345.409 3.252 20 0 EGADLP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000808181886 1317641821 /nfs/dbraw/zinc/64/18/21/1317641821.db2.gz NVJASFKVFJFHOQ-HXUWFJFHSA-N 2 2 344.503 3.005 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001020389062 1317675306 /nfs/dbraw/zinc/67/53/06/1317675306.db2.gz ZVUBYBDJJIHIIB-SZMVWBNQSA-N 2 2 348.450 3.254 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)CCC1 ZINC000903815890 1317738211 /nfs/dbraw/zinc/73/82/11/1317738211.db2.gz UFZPYXOPDAZKHS-MRXNPFEDSA-N 2 2 335.879 3.262 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)CCC1 ZINC000903815890 1317738216 /nfs/dbraw/zinc/73/82/16/1317738216.db2.gz UFZPYXOPDAZKHS-MRXNPFEDSA-N 2 2 335.879 3.262 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000903880383 1317739972 /nfs/dbraw/zinc/73/99/72/1317739972.db2.gz QZUAMOIQMJZBRU-GFCCVEGCSA-N 2 2 333.220 3.396 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000903880383 1317739974 /nfs/dbraw/zinc/73/99/74/1317739974.db2.gz QZUAMOIQMJZBRU-GFCCVEGCSA-N 2 2 333.220 3.396 20 0 EGADLP Clc1ccc([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903884198 1317740198 /nfs/dbraw/zinc/74/01/98/1317740198.db2.gz USVFEIFRAKNXTR-AEFFLSMTSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccc([C@@H]2CCC[N@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903884198 1317740201 /nfs/dbraw/zinc/74/02/01/1317740201.db2.gz USVFEIFRAKNXTR-AEFFLSMTSA-N 2 2 345.878 3.193 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000809616940 1317845058 /nfs/dbraw/zinc/84/50/58/1317845058.db2.gz CGEKFSFXTAUTCO-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000809616940 1317845065 /nfs/dbraw/zinc/84/50/65/1317845065.db2.gz CGEKFSFXTAUTCO-INIZCTEOSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1c(C[N@H+](C)CCCn2cc[nH+]c2)sc2nc(C)nc(C)c12 ZINC000809753493 1317891527 /nfs/dbraw/zinc/89/15/27/1317891527.db2.gz ULMXJJQKNNFBHL-UHFFFAOYSA-N 2 2 329.473 3.335 20 0 EGADLP Cc1c(C[N@@H+](C)CCCn2cc[nH+]c2)sc2nc(C)nc(C)c12 ZINC000809753493 1317891534 /nfs/dbraw/zinc/89/15/34/1317891534.db2.gz ULMXJJQKNNFBHL-UHFFFAOYSA-N 2 2 329.473 3.335 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766513 1317896653 /nfs/dbraw/zinc/89/66/53/1317896653.db2.gz ZOOZCQXPRUUORV-HOCLYGCPSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766513 1317896657 /nfs/dbraw/zinc/89/66/57/1317896657.db2.gz ZOOZCQXPRUUORV-HOCLYGCPSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766513 1317896659 /nfs/dbraw/zinc/89/66/59/1317896659.db2.gz ZOOZCQXPRUUORV-HOCLYGCPSA-N 2 2 348.491 3.201 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000809766513 1317896662 /nfs/dbraw/zinc/89/66/62/1317896662.db2.gz ZOOZCQXPRUUORV-HOCLYGCPSA-N 2 2 348.491 3.201 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000906517777 1318112064 /nfs/dbraw/zinc/11/20/64/1318112064.db2.gz QDLFWWCQSKGPDV-HAQNSBGRSA-N 2 2 338.274 3.152 20 0 EGADLP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000929991372 1328759822 /nfs/dbraw/zinc/75/98/22/1328759822.db2.gz GFNRPDMJGHRHDO-OAHLLOKOSA-N 2 2 335.455 3.404 20 0 EGADLP CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000929991372 1328759824 /nfs/dbraw/zinc/75/98/24/1328759824.db2.gz GFNRPDMJGHRHDO-OAHLLOKOSA-N 2 2 335.455 3.404 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603063 1318448167 /nfs/dbraw/zinc/44/81/67/1318448167.db2.gz LUECTNDBGDAADR-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603063 1318448172 /nfs/dbraw/zinc/44/81/72/1318448172.db2.gz LUECTNDBGDAADR-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603063 1318448179 /nfs/dbraw/zinc/44/81/79/1318448179.db2.gz LUECTNDBGDAADR-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603063 1318448183 /nfs/dbraw/zinc/44/81/83/1318448183.db2.gz LUECTNDBGDAADR-PKOBYXMFSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000813854709 1318644716 /nfs/dbraw/zinc/64/47/16/1318644716.db2.gz DRQNXTYDPKTMBG-INIZCTEOSA-N 2 2 348.450 3.425 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423949 1318936306 /nfs/dbraw/zinc/93/63/06/1318936306.db2.gz OPXDRGVBGWCRPR-YESZJQIVSA-N 2 2 348.450 3.254 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1cccc2ccccc21 ZINC001022775534 1319102615 /nfs/dbraw/zinc/10/26/15/1319102615.db2.gz WNEVKAGWQIYCJP-BHYGNILZSA-N 2 2 348.450 3.103 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001022888576 1319152163 /nfs/dbraw/zinc/15/21/63/1319152163.db2.gz NAIBTFDCPZUIBK-OLMNPRSZSA-N 2 2 340.471 3.074 20 0 EGADLP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259941 1319408048 /nfs/dbraw/zinc/40/80/48/1319408048.db2.gz HMFNGYFPAGOFQQ-SJORKVTESA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259941 1319408056 /nfs/dbraw/zinc/40/80/56/1319408056.db2.gz HMFNGYFPAGOFQQ-SJORKVTESA-N 2 2 346.519 3.048 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000818174240 1319509615 /nfs/dbraw/zinc/50/96/15/1319509615.db2.gz LOBXYURIZXAQDH-OAHLLOKOSA-N 2 2 338.467 3.471 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000818174240 1319509621 /nfs/dbraw/zinc/50/96/21/1319509621.db2.gz LOBXYURIZXAQDH-OAHLLOKOSA-N 2 2 338.467 3.471 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccncc3F)CC2)cc1 ZINC000823944244 1320217533 /nfs/dbraw/zinc/21/75/33/1320217533.db2.gz ULXHYWASOSSPAD-UHFFFAOYSA-N 2 2 328.435 3.045 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841101348 1321217969 /nfs/dbraw/zinc/21/79/69/1321217969.db2.gz ULZCKKRGURQRQH-UKRRQHHQSA-N 2 2 332.879 3.251 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841101348 1321217973 /nfs/dbraw/zinc/21/79/73/1321217973.db2.gz ULZCKKRGURQRQH-UKRRQHHQSA-N 2 2 332.879 3.251 20 0 EGADLP CC(C)[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[C@@H](C)[NH3+] ZINC000841823822 1321319952 /nfs/dbraw/zinc/31/99/52/1321319952.db2.gz HGBCBLQJRVRURO-CZUORRHYSA-N 2 2 325.416 3.068 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@H]1[NH3+] ZINC000843053619 1321463347 /nfs/dbraw/zinc/46/33/47/1321463347.db2.gz OTQPLCLPXADEQT-SWLSCSKDSA-N 2 2 335.883 3.225 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC[C@H]1[NH3+] ZINC000843053619 1321463349 /nfs/dbraw/zinc/46/33/49/1321463349.db2.gz OTQPLCLPXADEQT-SWLSCSKDSA-N 2 2 335.883 3.225 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843057861 1321463763 /nfs/dbraw/zinc/46/37/63/1321463763.db2.gz MZVMBYRQOBMONJ-PBHICJAKSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843057861 1321463765 /nfs/dbraw/zinc/46/37/65/1321463765.db2.gz MZVMBYRQOBMONJ-PBHICJAKSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1cccn2cc(Cc3noc([C@@H](C)[C@@H]([NH3+])c4ccccc4)n3)[nH+]c12 ZINC000843182452 1321482684 /nfs/dbraw/zinc/48/26/84/1321482684.db2.gz GGSUGNNTRQGBGA-KBXCAEBGSA-N 2 2 347.422 3.420 20 0 EGADLP C[C@@H](Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)[C@@H]1CCC[NH2+]C1 ZINC000843187360 1321484101 /nfs/dbraw/zinc/48/41/01/1321484101.db2.gz OICVEYBVVOGEDY-GOEBONIOSA-N 2 2 337.427 3.101 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000843360651 1321505889 /nfs/dbraw/zinc/50/58/89/1321505889.db2.gz GIIMSVQVIRLIPJ-UHFFFAOYSA-N 2 2 325.456 3.242 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000843360651 1321505896 /nfs/dbraw/zinc/50/58/96/1321505896.db2.gz GIIMSVQVIRLIPJ-UHFFFAOYSA-N 2 2 325.456 3.242 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)c2cc1Cl ZINC000843381870 1321508410 /nfs/dbraw/zinc/50/84/10/1321508410.db2.gz KAQFMLHXYFIQPQ-SFHVURJKSA-N 2 2 334.847 3.180 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)c2cc1Cl ZINC000843381870 1321508416 /nfs/dbraw/zinc/50/84/16/1321508416.db2.gz KAQFMLHXYFIQPQ-SFHVURJKSA-N 2 2 334.847 3.180 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000843378069 1321508988 /nfs/dbraw/zinc/50/89/88/1321508988.db2.gz YVHPDHGFKWTACF-IIDMSEBBSA-N 2 2 331.504 3.370 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@H]1[NH3+] ZINC000843378069 1321508992 /nfs/dbraw/zinc/50/89/92/1321508992.db2.gz YVHPDHGFKWTACF-IIDMSEBBSA-N 2 2 331.504 3.370 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)NC(=O)OC(C)(C)C ZINC000848568761 1321978087 /nfs/dbraw/zinc/97/80/87/1321978087.db2.gz QGSBLOITFGCHLW-YLFCFFPRSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)NC(=O)OC(C)(C)C ZINC000848568761 1321978092 /nfs/dbraw/zinc/97/80/92/1321978092.db2.gz QGSBLOITFGCHLW-YLFCFFPRSA-N 2 2 339.524 3.285 20 0 EGADLP COc1ccc(NC(=[NH2+])NCc2c[nH+]c3n2CCCC3)cc1Cl ZINC000849002901 1322057738 /nfs/dbraw/zinc/05/77/38/1322057738.db2.gz XVCJRGDMVCXCHQ-UHFFFAOYSA-N 2 2 333.823 3.018 20 0 EGADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc2c(c1)CCC2 ZINC000849064243 1322064405 /nfs/dbraw/zinc/06/44/05/1322064405.db2.gz HKQHZDRFKFIPOR-UHFFFAOYSA-N 2 2 331.423 3.497 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000850556792 1322265650 /nfs/dbraw/zinc/26/56/50/1322265650.db2.gz MCRZNEXBSWVRNP-UKRRQHHQSA-N 2 2 338.879 3.253 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000850556788 1322266578 /nfs/dbraw/zinc/26/65/78/1322266578.db2.gz MCRZNEXBSWVRNP-HIFRSBDPSA-N 2 2 338.879 3.253 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751423 1322392149 /nfs/dbraw/zinc/39/21/49/1322392149.db2.gz XGSPRYRHOXLBLV-OXQOHEQNSA-N 2 2 337.467 3.017 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751423 1322392151 /nfs/dbraw/zinc/39/21/51/1322392151.db2.gz XGSPRYRHOXLBLV-OXQOHEQNSA-N 2 2 337.467 3.017 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000921822286 1322405431 /nfs/dbraw/zinc/40/54/31/1322405431.db2.gz RTRFPLDNUNNFHR-HZPDHXFCSA-N 2 2 348.491 3.167 20 0 EGADLP c1cn(C[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)c2ccccc2)c[nH+]1 ZINC000922334660 1322504204 /nfs/dbraw/zinc/50/42/04/1322504204.db2.gz FBGRMEUFWJNBEP-HXUWFJFHSA-N 2 2 335.455 3.411 20 0 EGADLP O[C@H](C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428987 1322750688 /nfs/dbraw/zinc/75/06/88/1322750688.db2.gz VNJOWCUUJRTYBI-IAGOWNOFSA-N 2 2 342.405 3.204 20 0 EGADLP O[C@H](C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428987 1322750695 /nfs/dbraw/zinc/75/06/95/1322750695.db2.gz VNJOWCUUJRTYBI-IAGOWNOFSA-N 2 2 342.405 3.204 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001023960960 1323052172 /nfs/dbraw/zinc/05/21/72/1323052172.db2.gz BFJSWTLSSZJAEH-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000924667825 1323103067 /nfs/dbraw/zinc/10/30/67/1323103067.db2.gz PEXVJIVCLLSGSJ-QOIOWGMHSA-N 2 2 349.494 3.101 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000924667825 1323103072 /nfs/dbraw/zinc/10/30/72/1323103072.db2.gz PEXVJIVCLLSGSJ-QOIOWGMHSA-N 2 2 349.494 3.101 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cn1 ZINC000924771337 1323153760 /nfs/dbraw/zinc/15/37/60/1323153760.db2.gz WWQNFZSBQDNNDY-IEBWSBKVSA-N 2 2 335.455 3.107 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1cnn(C)n1 ZINC000924859976 1323188798 /nfs/dbraw/zinc/18/87/98/1323188798.db2.gz HSDGRBDDUDKXFM-MRXNPFEDSA-N 2 2 327.476 3.042 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000924855586 1323189608 /nfs/dbraw/zinc/18/96/08/1323189608.db2.gz WSNUFJISDCRAIS-RDJZCZTQSA-N 2 2 329.444 3.246 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000924855586 1323189613 /nfs/dbraw/zinc/18/96/13/1323189613.db2.gz WSNUFJISDCRAIS-RDJZCZTQSA-N 2 2 329.444 3.246 20 0 EGADLP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)c1c[nH+]c[nH]1 ZINC001024238178 1323224794 /nfs/dbraw/zinc/22/47/94/1323224794.db2.gz YYPFKTSLNZXIMW-QGZVFWFLSA-N 2 2 344.503 3.016 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440462 1323401364 /nfs/dbraw/zinc/40/13/64/1323401364.db2.gz PFAKFCGVQBHHEJ-MAUKXSAKSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024440462 1323401367 /nfs/dbraw/zinc/40/13/67/1323401367.db2.gz PFAKFCGVQBHHEJ-MAUKXSAKSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](CC(C)C)C3)ccn12 ZINC001025423643 1324256230 /nfs/dbraw/zinc/25/62/30/1324256230.db2.gz SUYYVYDXWGZSSJ-AEFFLSMTSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](CC(C)C)C3)ccn12 ZINC001025423643 1324256234 /nfs/dbraw/zinc/25/62/34/1324256234.db2.gz SUYYVYDXWGZSSJ-AEFFLSMTSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(C)C)[C@H]3C2)c(C)[nH+]1 ZINC001026318358 1324722102 /nfs/dbraw/zinc/72/21/02/1324722102.db2.gz WOSRBTLMYBNFBF-OKZBNKHCSA-N 2 2 329.488 3.103 20 0 EGADLP COc1cc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)on1 ZINC000925147655 1325065991 /nfs/dbraw/zinc/06/59/91/1325065991.db2.gz ANNUBMCRFBTJLR-AWEZNQCLSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccc(OCc2ccccn2)c1 ZINC000925471595 1325164836 /nfs/dbraw/zinc/16/48/36/1325164836.db2.gz CDTBASGOQWMOCC-NYSHIPPFSA-N 2 2 349.478 3.308 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000925546374 1325201125 /nfs/dbraw/zinc/20/11/25/1325201125.db2.gz KOGMWWPSXATBGG-AUUYWEPGSA-N 2 2 341.430 3.308 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444225 1325250864 /nfs/dbraw/zinc/25/08/64/1325250864.db2.gz VRLLYJUIZIDMCA-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000963444225 1325250873 /nfs/dbraw/zinc/25/08/73/1325250873.db2.gz VRLLYJUIZIDMCA-OALUTQOASA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925796940 1325305819 /nfs/dbraw/zinc/30/58/19/1325305819.db2.gz NEVGBPBIUDIPGD-ZRGWGRIASA-N 2 2 332.463 3.197 20 0 EGADLP C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387593 1325587237 /nfs/dbraw/zinc/58/72/37/1325587237.db2.gz ALJDDJDBPATEAW-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027387593 1325587243 /nfs/dbraw/zinc/58/72/43/1325587243.db2.gz ALJDDJDBPATEAW-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447863 1327690117 /nfs/dbraw/zinc/69/01/17/1327690117.db2.gz AQGFFLPZZAUSMU-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447863 1327690123 /nfs/dbraw/zinc/69/01/23/1327690123.db2.gz AQGFFLPZZAUSMU-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447863 1327690135 /nfs/dbraw/zinc/69/01/35/1327690135.db2.gz AQGFFLPZZAUSMU-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CCC1CCCC1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447863 1327690143 /nfs/dbraw/zinc/69/01/43/1327690143.db2.gz AQGFFLPZZAUSMU-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916970 1328470788 /nfs/dbraw/zinc/47/07/88/1328470788.db2.gz ULBFRZXJLICWFD-RDTXWAMCSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916970 1328470791 /nfs/dbraw/zinc/47/07/91/1328470791.db2.gz ULBFRZXJLICWFD-RDTXWAMCSA-N 2 2 328.460 3.049 20 0 EGADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000863570039 1329563959 /nfs/dbraw/zinc/56/39/59/1329563959.db2.gz QWHJIHXXPLUSEO-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000863570039 1329563961 /nfs/dbraw/zinc/56/39/61/1329563961.db2.gz QWHJIHXXPLUSEO-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001050152509 1348197857 /nfs/dbraw/zinc/19/78/57/1348197857.db2.gz RQHCIZREMJHGIM-OKZBNKHCSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001050152509 1348197859 /nfs/dbraw/zinc/19/78/59/1348197859.db2.gz RQHCIZREMJHGIM-OKZBNKHCSA-N 2 2 346.519 3.193 20 0 EGADLP COc1cc(Cl)c(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000865483335 1329703643 /nfs/dbraw/zinc/70/36/43/1329703643.db2.gz IGGLMFCEARFLGG-KBPBESRZSA-N 2 2 326.868 3.320 20 0 EGADLP CCCCNc1cc(C)[nH+]c(N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000865590938 1329717161 /nfs/dbraw/zinc/71/71/61/1329717161.db2.gz XANPMUIZUBNQNB-UHFFFAOYSA-N 2 2 341.450 3.163 20 0 EGADLP CCCCNc1cc(C)[nH+]c(N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000865590938 1329717162 /nfs/dbraw/zinc/71/71/62/1329717162.db2.gz XANPMUIZUBNQNB-UHFFFAOYSA-N 2 2 341.450 3.163 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932433390 1329814309 /nfs/dbraw/zinc/81/43/09/1329814309.db2.gz DXZPYZPORGMFGX-GOSISDBHSA-N 2 2 340.471 3.060 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932433390 1329814311 /nfs/dbraw/zinc/81/43/11/1329814311.db2.gz DXZPYZPORGMFGX-GOSISDBHSA-N 2 2 340.471 3.060 20 0 EGADLP CCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000934086346 1329945670 /nfs/dbraw/zinc/94/56/70/1329945670.db2.gz HNFCJJWKIWTCBA-QGZVFWFLSA-N 2 2 345.491 3.020 20 0 EGADLP CCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000934086346 1329945672 /nfs/dbraw/zinc/94/56/72/1329945672.db2.gz HNFCJJWKIWTCBA-QGZVFWFLSA-N 2 2 345.491 3.020 20 0 EGADLP Cc1cc(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)cc(C)[nH+]1 ZINC000868714896 1330322891 /nfs/dbraw/zinc/32/28/91/1330322891.db2.gz HTLUWSKVUINRJH-UHFFFAOYSA-N 2 2 332.492 3.008 20 0 EGADLP C[C@H]1C[N@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183154 1331865398 /nfs/dbraw/zinc/86/53/98/1331865398.db2.gz GMPFIAMXZHERPS-HOCLYGCPSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@H]1C[N@@H+](CCC(C)(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942183154 1331865399 /nfs/dbraw/zinc/86/53/99/1331865399.db2.gz GMPFIAMXZHERPS-HOCLYGCPSA-N 2 2 342.487 3.439 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803636 1332902946 /nfs/dbraw/zinc/90/29/46/1332902946.db2.gz OSIRCYSXAYTGSW-CADBVGFASA-N 2 2 346.519 3.051 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803636 1332902949 /nfs/dbraw/zinc/90/29/49/1332902949.db2.gz OSIRCYSXAYTGSW-CADBVGFASA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCC(C)(C)C ZINC000947540391 1333164369 /nfs/dbraw/zinc/16/43/69/1333164369.db2.gz SNYZIQIXGRMMBK-JKSUJKDBSA-N 2 2 342.487 3.353 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCC(C)(C)C ZINC000947540391 1333164370 /nfs/dbraw/zinc/16/43/70/1333164370.db2.gz SNYZIQIXGRMMBK-JKSUJKDBSA-N 2 2 342.487 3.353 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572113 1333176141 /nfs/dbraw/zinc/17/61/41/1333176141.db2.gz KSFGLMTZYTVSQQ-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000947572113 1333176145 /nfs/dbraw/zinc/17/61/45/1333176145.db2.gz KSFGLMTZYTVSQQ-WMZOPIPTSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947980065 1333330568 /nfs/dbraw/zinc/33/05/68/1333330568.db2.gz NKMSEPDKBYPRGU-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)[C@H](C)C1 ZINC000947980065 1333330570 /nfs/dbraw/zinc/33/05/70/1333330570.db2.gz NKMSEPDKBYPRGU-QAPCUYQASA-N 2 2 346.519 3.200 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554351 1333573067 /nfs/dbraw/zinc/57/30/67/1333573067.db2.gz UTVAXCXPWFTPDT-MRXNPFEDSA-N 2 2 328.460 3.290 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000948554351 1333573070 /nfs/dbraw/zinc/57/30/70/1333573070.db2.gz UTVAXCXPWFTPDT-MRXNPFEDSA-N 2 2 328.460 3.290 20 0 EGADLP CCC(CC)C[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948603963 1333592611 /nfs/dbraw/zinc/59/26/11/1333592611.db2.gz QFLBQWGKIUCFBF-UHFFFAOYSA-N 2 2 337.533 3.004 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCC2CCCC2)C1 ZINC000969973000 1336268235 /nfs/dbraw/zinc/26/82/35/1336268235.db2.gz JOSMEWGJJJVNCQ-AWEZNQCLSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001007593146 1336672710 /nfs/dbraw/zinc/67/27/10/1336672710.db2.gz DAPFXSIEDVWFLR-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)C2)c[nH+]1 ZINC001007593146 1336672714 /nfs/dbraw/zinc/67/27/14/1336672714.db2.gz DAPFXSIEDVWFLR-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001007642143 1336682556 /nfs/dbraw/zinc/68/25/56/1336682556.db2.gz RKYJOGIRIVSVFY-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001007642143 1336682557 /nfs/dbraw/zinc/68/25/57/1336682557.db2.gz RKYJOGIRIVSVFY-GOSISDBHSA-N 2 2 348.450 3.266 20 0 EGADLP O=C(N[C@@H]1CC[N@H+](CCCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941811 1337961241 /nfs/dbraw/zinc/96/12/41/1337961241.db2.gz QEPFSUGOJHZPRK-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941811 1337961243 /nfs/dbraw/zinc/96/12/43/1337961243.db2.gz QEPFSUGOJHZPRK-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856301 1341097098 /nfs/dbraw/zinc/09/70/98/1341097098.db2.gz LKSKSCQDUJLMFO-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001029856301 1341097099 /nfs/dbraw/zinc/09/70/99/1341097099.db2.gz LKSKSCQDUJLMFO-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032313 1341162408 /nfs/dbraw/zinc/16/24/08/1341162408.db2.gz UYQSOHNIHRQAAB-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032313 1341162409 /nfs/dbraw/zinc/16/24/09/1341162409.db2.gz UYQSOHNIHRQAAB-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032313 1341162410 /nfs/dbraw/zinc/16/24/10/1341162410.db2.gz UYQSOHNIHRQAAB-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032313 1341162411 /nfs/dbraw/zinc/16/24/11/1341162411.db2.gz UYQSOHNIHRQAAB-JCGIZDLHSA-N 2 2 349.906 3.076 20 0 EGADLP O=C(NC1C[NH+](CC2=CCCCC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001030831665 1341232615 /nfs/dbraw/zinc/23/26/15/1341232615.db2.gz MMBXRUYBJLQMQD-FQEVSTJZSA-N 2 2 345.531 3.084 20 0 EGADLP O=C(NC1C[NH+](CC2=CCCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001030831665 1341232617 /nfs/dbraw/zinc/23/26/17/1341232617.db2.gz MMBXRUYBJLQMQD-FQEVSTJZSA-N 2 2 345.531 3.084 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031045353 1341269365 /nfs/dbraw/zinc/26/93/65/1341269365.db2.gz LWPNGRRTBSVDAG-QZTJIDSGSA-N 2 2 343.515 3.121 20 0 EGADLP O=C(NCC1C[NH+](CCC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772023 1341399604 /nfs/dbraw/zinc/39/96/04/1341399604.db2.gz CXVUCPVUXKHPMH-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1)n1cc[nH+]c1 ZINC001032657050 1341572343 /nfs/dbraw/zinc/57/23/43/1341572343.db2.gz VANQYFLMHZEXKI-NEWSRXKRSA-N 2 2 342.487 3.010 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1)n1cc[nH+]c1 ZINC001032657050 1341572344 /nfs/dbraw/zinc/57/23/44/1341572344.db2.gz VANQYFLMHZEXKI-NEWSRXKRSA-N 2 2 342.487 3.010 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033874043 1342052685 /nfs/dbraw/zinc/05/26/85/1342052685.db2.gz UMQWSBBTSHIMMV-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033874043 1342052686 /nfs/dbraw/zinc/05/26/86/1342052686.db2.gz UMQWSBBTSHIMMV-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036567327 1343557409 /nfs/dbraw/zinc/55/74/09/1343557409.db2.gz FQSBYSDCMWORIC-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001036566841 1343557647 /nfs/dbraw/zinc/55/76/47/1343557647.db2.gz YIAILEPLYRLXFB-QFBILLFUSA-N 2 2 340.471 3.111 20 0 EGADLP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029700 1343937779 /nfs/dbraw/zinc/93/77/79/1343937779.db2.gz CWROFRXZZLJIOV-NVXWUHKLSA-N 2 2 340.471 3.241 20 0 EGADLP O=C(N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029902 1343937992 /nfs/dbraw/zinc/93/79/92/1343937992.db2.gz IALAMCXTEYZIRX-WMZOPIPTSA-N 2 2 348.450 3.251 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037825691 1344121032 /nfs/dbraw/zinc/12/10/32/1344121032.db2.gz FTPMMCYPIMAKMQ-ROUUACIJSA-N 2 2 344.503 3.059 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414158 1344417192 /nfs/dbraw/zinc/41/71/92/1344417192.db2.gz AEJJUBABMZUCNU-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1CCC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414158 1344417194 /nfs/dbraw/zinc/41/71/94/1344417194.db2.gz AEJJUBABMZUCNU-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415694 1344419107 /nfs/dbraw/zinc/41/91/07/1344419107.db2.gz IRLURXNCJQTINA-QGZVFWFLSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1cccc(C)c1C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415694 1344419109 /nfs/dbraw/zinc/41/91/09/1344419109.db2.gz IRLURXNCJQTINA-QGZVFWFLSA-N 2 2 348.450 3.184 20 0 EGADLP CCc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038417827 1344419736 /nfs/dbraw/zinc/41/97/36/1344419736.db2.gz UVRMOHRLMKWYAW-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038417827 1344419738 /nfs/dbraw/zinc/41/97/38/1344419738.db2.gz UVRMOHRLMKWYAW-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223712 1344940868 /nfs/dbraw/zinc/94/08/68/1344940868.db2.gz XZGOUVVQDYBTQH-ROUUACIJSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039223712 1344940870 /nfs/dbraw/zinc/94/08/70/1344940870.db2.gz XZGOUVVQDYBTQH-ROUUACIJSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253505 1344985102 /nfs/dbraw/zinc/98/51/02/1344985102.db2.gz IGROQXBGMPRBET-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001039253505 1344985104 /nfs/dbraw/zinc/98/51/04/1344985104.db2.gz IGROQXBGMPRBET-ROUUACIJSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001039279718 1344994634 /nfs/dbraw/zinc/99/46/34/1344994634.db2.gz UKOMZAWIVPNNIJ-ALOPSCKCSA-N 2 2 340.471 3.334 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868493 1345590080 /nfs/dbraw/zinc/59/00/80/1345590080.db2.gz SJVNHIJNPDSWKH-QZTJIDSGSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044810034 1346432412 /nfs/dbraw/zinc/43/24/12/1346432412.db2.gz SPTPOURDFXOCQF-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)CC[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001045476586 1346603114 /nfs/dbraw/zinc/60/31/14/1346603114.db2.gz VHCQSHZHXIGCAE-UHFFFAOYSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258447 1347281288 /nfs/dbraw/zinc/28/12/88/1347281288.db2.gz ZFGFDMIBOPZJIX-HKUYNNGSSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001050247549 1348217661 /nfs/dbraw/zinc/21/76/61/1348217661.db2.gz FREQILHZTGRDRP-UHFFFAOYSA-N 2 2 336.439 3.333 20 0 EGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001050247549 1348217663 /nfs/dbraw/zinc/21/76/63/1348217663.db2.gz FREQILHZTGRDRP-UHFFFAOYSA-N 2 2 336.439 3.333 20 0 EGADLP CC[NH2+][C@H](C)c1ccc(CNC(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC001050262052 1348221858 /nfs/dbraw/zinc/22/18/58/1348221858.db2.gz RWVQHZUKCUZPBA-OAHLLOKOSA-N 2 2 336.439 3.243 20 0 EGADLP CCCC[NH+]1CCC2(CN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)CC1 ZINC001050598400 1348296943 /nfs/dbraw/zinc/29/69/43/1348296943.db2.gz FNSHUHOUDFJHOQ-UHFFFAOYSA-N 2 2 329.488 3.345 20 0 EGADLP CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092226 1348918615 /nfs/dbraw/zinc/91/86/15/1348918615.db2.gz FUXHPUUVHKGGPV-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001053092226 1348918619 /nfs/dbraw/zinc/91/86/19/1348918619.db2.gz FUXHPUUVHKGGPV-IAGOWNOFSA-N 2 2 340.471 3.061 20 0 EGADLP CN(C)c1nc(Cl)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC001183095211 1387261495 /nfs/dbraw/zinc/26/14/95/1387261495.db2.gz NFSGGNFZQSTOPM-ZDUSSCGKSA-N 2 2 342.940 3.074 20 0 EGADLP CN(C)c1nc(Cl)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC001183095211 1387261498 /nfs/dbraw/zinc/26/14/98/1387261498.db2.gz NFSGGNFZQSTOPM-ZDUSSCGKSA-N 2 2 342.940 3.074 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607091 1354791730 /nfs/dbraw/zinc/79/17/30/1354791730.db2.gz MWPOPGOWGQLMOR-AEFFLSMTSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607091 1354791732 /nfs/dbraw/zinc/79/17/32/1354791732.db2.gz MWPOPGOWGQLMOR-AEFFLSMTSA-N 2 2 346.519 3.086 20 0 EGADLP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001089204649 1360250188 /nfs/dbraw/zinc/25/01/88/1360250188.db2.gz ZCKIYKQSGDJUIE-IBGZPJMESA-N 2 2 340.471 3.207 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001089204649 1360250193 /nfs/dbraw/zinc/25/01/93/1360250193.db2.gz ZCKIYKQSGDJUIE-IBGZPJMESA-N 2 2 340.471 3.207 20 0 EGADLP C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001072307052 1355231485 /nfs/dbraw/zinc/23/14/85/1355231485.db2.gz YMGIKIVUOBSJME-YOEHRIQHSA-N 2 2 340.471 3.051 20 0 EGADLP CC[C@@H]([NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C)c1ccccc1 ZINC001074781429 1356238019 /nfs/dbraw/zinc/23/80/19/1356238019.db2.gz JTVJZFMUVAYGAV-UHOSZYNNSA-N 2 2 340.471 3.004 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245862 1387316707 /nfs/dbraw/zinc/31/67/07/1387316707.db2.gz HSYPRZJFRHVKLO-HUUCEWRRSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245862 1387316709 /nfs/dbraw/zinc/31/67/09/1387316709.db2.gz HSYPRZJFRHVKLO-HUUCEWRRSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323262435 1387319438 /nfs/dbraw/zinc/31/94/38/1387319438.db2.gz NNAKDTZHAJFOPJ-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001323262435 1387319440 /nfs/dbraw/zinc/31/94/40/1387319440.db2.gz NNAKDTZHAJFOPJ-ZBFHGGJFSA-N 2 2 328.460 3.049 20 0 EGADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001085244790 1358443144 /nfs/dbraw/zinc/44/31/44/1358443144.db2.gz XLDVZKKRWKIWIW-QZTJIDSGSA-N 2 2 340.471 3.384 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2cnccc21 ZINC001323331584 1387340085 /nfs/dbraw/zinc/34/00/85/1387340085.db2.gz GSJAMIMXYIDYMJ-UHFFFAOYSA-N 2 2 329.363 3.376 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001086121096 1359002716 /nfs/dbraw/zinc/00/27/16/1359002716.db2.gz CHFYNIBXEVDNAH-MAEOIBBWSA-N 2 2 348.450 3.170 20 0 EGADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001087231301 1359326861 /nfs/dbraw/zinc/32/68/61/1359326861.db2.gz OGXVOWJAEISUKC-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCCC1CCC1 ZINC001087610324 1359553819 /nfs/dbraw/zinc/55/38/19/1359553819.db2.gz BKZPPNIBZFDWHO-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCCC1CCC1 ZINC001087610324 1359553821 /nfs/dbraw/zinc/55/38/21/1359553821.db2.gz BKZPPNIBZFDWHO-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCCC1CCC1 ZINC001087610324 1359553824 /nfs/dbraw/zinc/55/38/24/1359553824.db2.gz BKZPPNIBZFDWHO-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCCC1CCC1 ZINC001087610324 1359553834 /nfs/dbraw/zinc/55/38/34/1359553834.db2.gz BKZPPNIBZFDWHO-VXIBKDFQSA-N 2 2 344.503 3.063 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088356139 1359840419 /nfs/dbraw/zinc/84/04/19/1359840419.db2.gz RFIFKRGTCKWNNI-IBGZPJMESA-N 2 2 344.503 3.134 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001184272446 1387421982 /nfs/dbraw/zinc/42/19/82/1387421982.db2.gz FYDYKCPZQWIMJZ-ZBKUBXTQSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001088404919 1359877340 /nfs/dbraw/zinc/87/73/40/1359877340.db2.gz KFOGITUFKXFGBW-AEFFLSMTSA-N 2 2 340.471 3.074 20 0 EGADLP CC1CCC(C[NH2+][C@H]2CCCCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001088434083 1359902998 /nfs/dbraw/zinc/90/29/98/1359902998.db2.gz OTQBGBMMTVOJQK-ACBHZAAOSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001089254769 1360285243 /nfs/dbraw/zinc/28/52/43/1360285243.db2.gz LPSYCJSYHJUBJW-KRWDZBQOSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC001089254769 1360285247 /nfs/dbraw/zinc/28/52/47/1360285247.db2.gz LPSYCJSYHJUBJW-KRWDZBQOSA-N 2 2 346.519 3.010 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419753 1360413959 /nfs/dbraw/zinc/41/39/59/1360413959.db2.gz HTHXDGFZOCCRLD-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419753 1360413962 /nfs/dbraw/zinc/41/39/62/1360413962.db2.gz HTHXDGFZOCCRLD-OAHLLOKOSA-N 2 2 328.460 3.193 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCCC2CCC2)C1 ZINC001089569132 1360514843 /nfs/dbraw/zinc/51/48/43/1360514843.db2.gz RTVYSYJPOXOOAJ-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCCC2CCC2)C1 ZINC001089569132 1360514845 /nfs/dbraw/zinc/51/48/45/1360514845.db2.gz RTVYSYJPOXOOAJ-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1ccc(F)cc1F ZINC001324333573 1387595384 /nfs/dbraw/zinc/59/53/84/1387595384.db2.gz FMBQBBNKPOTGSK-UHFFFAOYSA-N 2 2 342.349 3.425 20 0 EGADLP CC(C)=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163876 1362871737 /nfs/dbraw/zinc/87/17/37/1362871737.db2.gz RORJAWORCDRGAW-ZACQAIPSSA-N 2 2 347.528 3.111 20 0 EGADLP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163876 1362871740 /nfs/dbraw/zinc/87/17/40/1362871740.db2.gz RORJAWORCDRGAW-ZACQAIPSSA-N 2 2 347.528 3.111 20 0 EGADLP CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001098814414 1363479196 /nfs/dbraw/zinc/47/91/96/1363479196.db2.gz PRWAXNYFSAIEQP-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148347 1363656459 /nfs/dbraw/zinc/65/64/59/1363656459.db2.gz CBOCBPYSBLGIDS-IRXDYDNUSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148347 1363656463 /nfs/dbraw/zinc/65/64/63/1363656463.db2.gz CBOCBPYSBLGIDS-IRXDYDNUSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)CCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579710 1364632749 /nfs/dbraw/zinc/63/27/49/1364632749.db2.gz SBLFUYAPQDYQEC-UHFFFAOYSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350838 1365016979 /nfs/dbraw/zinc/01/69/79/1365016979.db2.gz AMMIHSDVLBFXRC-BRWVUGGUSA-N 2 2 346.519 3.094 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](C)C1 ZINC001102350838 1365016982 /nfs/dbraw/zinc/01/69/82/1365016982.db2.gz AMMIHSDVLBFXRC-BRWVUGGUSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454881 1365064743 /nfs/dbraw/zinc/06/47/43/1365064743.db2.gz XADYVCIBISINSO-DZZGLEFKSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102454881 1365064747 /nfs/dbraw/zinc/06/47/47/1365064747.db2.gz XADYVCIBISINSO-DZZGLEFKSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454881 1365064749 /nfs/dbraw/zinc/06/47/49/1365064749.db2.gz XADYVCIBISINSO-DZZGLEFKSA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102454881 1365064754 /nfs/dbraw/zinc/06/47/54/1365064754.db2.gz XADYVCIBISINSO-DZZGLEFKSA-N 2 2 346.519 3.019 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103071039 1365364113 /nfs/dbraw/zinc/36/41/13/1365364113.db2.gz ZJISVIZFXWQHSD-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103071039 1365364118 /nfs/dbraw/zinc/36/41/18/1365364118.db2.gz ZJISVIZFXWQHSD-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103071039 1365364122 /nfs/dbraw/zinc/36/41/22/1365364122.db2.gz ZJISVIZFXWQHSD-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103071039 1365364125 /nfs/dbraw/zinc/36/41/25/1365364125.db2.gz ZJISVIZFXWQHSD-IAGOWNOFSA-N 2 2 348.535 3.243 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145770 1365408612 /nfs/dbraw/zinc/40/86/12/1365408612.db2.gz PWGKVDFIFDRBNP-ARFHVFGLSA-N 2 2 342.487 3.297 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001103145770 1365408613 /nfs/dbraw/zinc/40/86/13/1365408613.db2.gz PWGKVDFIFDRBNP-ARFHVFGLSA-N 2 2 342.487 3.297 20 0 EGADLP CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001104194372 1365947115 /nfs/dbraw/zinc/94/71/15/1365947115.db2.gz BYFQLTFFXGZXPV-CRAIPNDOSA-N 2 2 342.487 3.131 20 0 EGADLP CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001104327278 1365979902 /nfs/dbraw/zinc/97/99/02/1365979902.db2.gz GCQXBFUZNMYGPK-QRVBRYPASA-N 2 2 348.535 3.345 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738534 1366151161 /nfs/dbraw/zinc/15/11/61/1366151161.db2.gz ZXUPJPCKCYUFLF-GUDVDZBRSA-N 2 2 348.535 3.489 20 0 EGADLP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105572559 1366539211 /nfs/dbraw/zinc/53/92/11/1366539211.db2.gz VPQWPFGCBXKUSH-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001105576928 1366541300 /nfs/dbraw/zinc/54/13/00/1366541300.db2.gz ONVXQEOGYHNXEK-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105577103 1366541594 /nfs/dbraw/zinc/54/15/94/1366541594.db2.gz QMYBOTYQOPMVFA-GOSISDBHSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CCCCCF ZINC001106319183 1366651914 /nfs/dbraw/zinc/65/19/14/1366651914.db2.gz WERNWXQVYNTGLU-GDBMZVCRSA-N 2 2 346.450 3.000 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107075676 1366871044 /nfs/dbraw/zinc/87/10/44/1366871044.db2.gz AQHVWUDKNGDYKF-IPMKNSEASA-N 2 2 348.535 3.030 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([N@@H+](C)CCCC(C)C)C3)ccn12 ZINC001190176667 1367191509 /nfs/dbraw/zinc/19/15/09/1367191509.db2.gz OJWKPCHFLCCWNZ-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([N@H+](C)CCCC(C)C)C3)ccn12 ZINC001190176667 1367191514 /nfs/dbraw/zinc/19/15/14/1367191514.db2.gz OJWKPCHFLCCWNZ-GOSISDBHSA-N 2 2 342.487 3.225 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001111078061 1368153565 /nfs/dbraw/zinc/15/35/65/1368153565.db2.gz IAALJRGRMFHAPX-AITUJVMLSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001111078061 1368153568 /nfs/dbraw/zinc/15/35/68/1368153568.db2.gz IAALJRGRMFHAPX-AITUJVMLSA-N 2 2 344.503 3.136 20 0 EGADLP CCCCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001196674561 1368660294 /nfs/dbraw/zinc/66/02/94/1368660294.db2.gz XRSWEFREBGFTBX-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP CCCCC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001196674561 1368660298 /nfs/dbraw/zinc/66/02/98/1368660298.db2.gz XRSWEFREBGFTBX-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP O=C(CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)OCc1ccccc1 ZINC001197264434 1368775455 /nfs/dbraw/zinc/77/54/55/1368775455.db2.gz MNOBFYFZZMIKDP-FQEVSTJZSA-N 2 2 349.434 3.348 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001112994774 1369127785 /nfs/dbraw/zinc/12/77/85/1369127785.db2.gz GTQMIBONPTUDLW-RURPWVQCSA-N 2 2 346.519 3.361 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC001199345709 1369211444 /nfs/dbraw/zinc/21/14/44/1369211444.db2.gz SXDASCDBAXWLQR-UHFFFAOYSA-N 2 2 339.361 3.379 20 0 EGADLP CC(C)CCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001113167468 1369239966 /nfs/dbraw/zinc/23/99/66/1369239966.db2.gz OQSUTCQSDUHRRE-UHFFFAOYSA-N 2 2 340.471 3.066 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC001199770179 1369269234 /nfs/dbraw/zinc/26/92/34/1369269234.db2.gz WPOBIQXYOQWTMR-UHFFFAOYSA-N 2 2 337.514 3.072 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1)[NH+](CC)CC ZINC001113341054 1369358905 /nfs/dbraw/zinc/35/89/05/1369358905.db2.gz JBQFZJBNCXTMNI-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001113438738 1369428293 /nfs/dbraw/zinc/42/82/93/1369428293.db2.gz ANNYCABDXKEBHU-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001113438738 1369428296 /nfs/dbraw/zinc/42/82/96/1369428296.db2.gz ANNYCABDXKEBHU-UHFFFAOYSA-N 2 2 345.531 3.151 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001201224227 1369499471 /nfs/dbraw/zinc/49/94/71/1369499471.db2.gz PIFIXSFGJLBTBH-UHFFFAOYSA-N 2 2 347.503 3.040 20 0 EGADLP CN(C)c1ncccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325607891 1388010163 /nfs/dbraw/zinc/01/01/63/1388010163.db2.gz UJUVLJPTHNYVJZ-LJQANCHMSA-N 2 2 338.499 3.102 20 0 EGADLP CN(C)c1ncccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001325607891 1388010165 /nfs/dbraw/zinc/01/01/65/1388010165.db2.gz UJUVLJPTHNYVJZ-LJQANCHMSA-N 2 2 338.499 3.102 20 0 EGADLP CN(C)c1ncccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001325607891 1388010167 /nfs/dbraw/zinc/01/01/67/1388010167.db2.gz UJUVLJPTHNYVJZ-LJQANCHMSA-N 2 2 338.499 3.102 20 0 EGADLP CN(C)c1ncccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325607891 1388010169 /nfs/dbraw/zinc/01/01/69/1388010169.db2.gz UJUVLJPTHNYVJZ-LJQANCHMSA-N 2 2 338.499 3.102 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](CCC2CCCCCC2)CC1 ZINC001113723990 1369586451 /nfs/dbraw/zinc/58/64/51/1369586451.db2.gz BAHWLMQHTWEBJF-UHFFFAOYSA-N 2 2 346.519 3.168 20 0 EGADLP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446363 1369773441 /nfs/dbraw/zinc/77/34/41/1369773441.db2.gz AZXDLWAZJUDLOQ-BDUNBXCCSA-N 2 2 344.503 3.157 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857609 1369909482 /nfs/dbraw/zinc/90/94/82/1369909482.db2.gz VAAONHBCEFOWLK-JKSUJKDBSA-N 2 2 346.519 3.186 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC001203035263 1369962157 /nfs/dbraw/zinc/96/21/57/1369962157.db2.gz XQODKLLPNAOFQQ-UHFFFAOYSA-N 2 2 328.500 3.251 20 0 EGADLP CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203080133 1369976126 /nfs/dbraw/zinc/97/61/26/1369976126.db2.gz SBFVOALVHGRRIB-MSOLQXFVSA-N 2 2 340.471 3.240 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnc5ccccn45)C[C@H]3C2)cc1 ZINC001203149360 1370000170 /nfs/dbraw/zinc/00/01/70/1370000170.db2.gz YGQWCZXDVDVUQO-WOJBJXKFSA-N 2 2 346.478 3.207 20 0 EGADLP CC(C)=CC[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001203171285 1370009045 /nfs/dbraw/zinc/00/90/45/1370009045.db2.gz GMJVXTPGCHUPCP-UHFFFAOYSA-N 2 2 338.455 3.033 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2C[C@@H]([NH2+]C/C=C/Cl)C23CCC3)c(C)[nH+]1 ZINC001203194198 1370020088 /nfs/dbraw/zinc/02/00/88/1370020088.db2.gz ZNAWOPQBPCASQN-IDSJHHPBSA-N 2 2 347.890 3.390 20 0 EGADLP CCc1[nH]c(CN2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c(C)[nH+]1 ZINC001203247502 1370039086 /nfs/dbraw/zinc/03/90/86/1370039086.db2.gz GZWBTGQTVMTNIU-HXUWFJFHSA-N 2 2 338.499 3.476 20 0 EGADLP CCC/C=C\CC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203336995 1370088581 /nfs/dbraw/zinc/08/85/81/1370088581.db2.gz CRXGOEONPOSISJ-SREVYHEPSA-N 2 2 332.492 3.014 20 0 EGADLP COc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203429074 1370122559 /nfs/dbraw/zinc/12/25/59/1370122559.db2.gz ZNIDRPSIWOWPLV-IRXDYDNUSA-N 2 2 328.481 3.321 20 0 EGADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001203914171 1370312811 /nfs/dbraw/zinc/31/28/11/1370312811.db2.gz JONKGKPTLQNIFE-UHFFFAOYSA-N 2 2 344.430 3.286 20 0 EGADLP Fc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001203914171 1370312813 /nfs/dbraw/zinc/31/28/13/1370312813.db2.gz JONKGKPTLQNIFE-UHFFFAOYSA-N 2 2 344.430 3.286 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001203931218 1370319802 /nfs/dbraw/zinc/31/98/02/1370319802.db2.gz QSODJHCKVDINRX-UHFFFAOYSA-N 2 2 329.488 3.484 20 0 EGADLP CC(=O)Nc1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001203931218 1370319805 /nfs/dbraw/zinc/31/98/05/1370319805.db2.gz QSODJHCKVDINRX-UHFFFAOYSA-N 2 2 329.488 3.484 20 0 EGADLP c1ccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccnc2c1 ZINC001204083824 1370371293 /nfs/dbraw/zinc/37/12/93/1370371293.db2.gz YZLWUMHQUNYKII-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccnc2c1 ZINC001204083824 1370371298 /nfs/dbraw/zinc/37/12/98/1370371298.db2.gz YZLWUMHQUNYKII-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccnc2c1 ZINC001204083824 1370371303 /nfs/dbraw/zinc/37/13/03/1370371303.db2.gz YZLWUMHQUNYKII-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP c1ccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccnc2c1 ZINC001204083824 1370371305 /nfs/dbraw/zinc/37/13/05/1370371305.db2.gz YZLWUMHQUNYKII-BGYRXZFFSA-N 2 2 344.462 3.194 20 0 EGADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001204168829 1370396734 /nfs/dbraw/zinc/39/67/34/1370396734.db2.gz YVNSHZSYDQEILD-IBGZPJMESA-N 2 2 344.499 3.235 20 0 EGADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001204168829 1370396739 /nfs/dbraw/zinc/39/67/39/1370396739.db2.gz YVNSHZSYDQEILD-IBGZPJMESA-N 2 2 344.499 3.235 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH2+]Cc2ccsc2)CCCCC1 ZINC001115509709 1370508799 /nfs/dbraw/zinc/50/87/99/1370508799.db2.gz ATYDVPYZAIAHCT-UHFFFAOYSA-N 2 2 346.500 3.013 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CC(C)C)CCCCC3)ccn12 ZINC001115538759 1370535663 /nfs/dbraw/zinc/53/56/63/1370535663.db2.gz WYVASACZAGNLCO-UHFFFAOYSA-N 2 2 342.487 3.321 20 0 EGADLP O=C(NCC1([NH2+]C/C=C\Cl)CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001115595179 1370596952 /nfs/dbraw/zinc/59/69/52/1370596952.db2.gz RGVBUVUUSIBNOE-YWEYNIOJSA-N 2 2 346.862 3.338 20 0 EGADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640587 1370632444 /nfs/dbraw/zinc/63/24/44/1370632444.db2.gz CFVOXNYQZILZOS-INIZCTEOSA-N 2 2 347.503 3.064 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205280889 1370704471 /nfs/dbraw/zinc/70/44/71/1370704471.db2.gz LALQUOZNWLYWIK-HNNXBMFYSA-N 2 2 332.366 3.297 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OC(F)(F)F)c1 ZINC001205280889 1370704476 /nfs/dbraw/zinc/70/44/76/1370704476.db2.gz LALQUOZNWLYWIK-HNNXBMFYSA-N 2 2 332.366 3.297 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1Br ZINC001205289246 1370708580 /nfs/dbraw/zinc/70/85/80/1370708580.db2.gz VGDBHFAENPSURE-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c1Br ZINC001205289246 1370708583 /nfs/dbraw/zinc/70/85/83/1370708583.db2.gz VGDBHFAENPSURE-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP CCc1sc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205303964 1370713928 /nfs/dbraw/zinc/71/39/28/1370713928.db2.gz LWAKMAQMILFEBN-GHMZBOCLSA-N 2 2 331.323 3.490 20 0 EGADLP CCc1sc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205303964 1370713934 /nfs/dbraw/zinc/71/39/34/1370713934.db2.gz LWAKMAQMILFEBN-GHMZBOCLSA-N 2 2 331.323 3.490 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306566 1370715140 /nfs/dbraw/zinc/71/51/40/1370715140.db2.gz XREQJBKWKDDKTA-OLZOCXBDSA-N 2 2 342.940 3.204 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306566 1370715143 /nfs/dbraw/zinc/71/51/43/1370715143.db2.gz XREQJBKWKDDKTA-OLZOCXBDSA-N 2 2 342.940 3.204 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487900 1370770475 /nfs/dbraw/zinc/77/04/75/1370770475.db2.gz SFIZJOXIYKIRAA-KBAYOESNSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487900 1370770483 /nfs/dbraw/zinc/77/04/83/1370770483.db2.gz SFIZJOXIYKIRAA-KBAYOESNSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487899 1370770538 /nfs/dbraw/zinc/77/05/38/1370770538.db2.gz SFIZJOXIYKIRAA-CGTJXYLNSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487899 1370770543 /nfs/dbraw/zinc/77/05/43/1370770543.db2.gz SFIZJOXIYKIRAA-CGTJXYLNSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+]C/C=C/Cl)CC2)c(C)[nH+]1 ZINC001205729022 1370853002 /nfs/dbraw/zinc/85/30/02/1370853002.db2.gz VAHGCENYFSEPPB-QPJJXVBHSA-N 2 2 335.879 3.201 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](CCCc2ccccc2Br)CCC1(F)F ZINC001205735588 1370855282 /nfs/dbraw/zinc/85/52/82/1370855282.db2.gz OMBDNXBFGMVMDE-ZDUSSCGKSA-N 2 2 347.247 3.298 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](CCCc2ccccc2Br)CCC1(F)F ZINC001205735588 1370855285 /nfs/dbraw/zinc/85/52/85/1370855285.db2.gz OMBDNXBFGMVMDE-ZDUSSCGKSA-N 2 2 347.247 3.298 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC1(F)F ZINC001205795500 1370873465 /nfs/dbraw/zinc/87/34/65/1370873465.db2.gz HCSWZJMKCAHZSK-SNVBAGLBSA-N 2 2 341.789 3.010 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)c3ccccc3[nH]c2=O)CCC1(F)F ZINC001205795500 1370873468 /nfs/dbraw/zinc/87/34/68/1370873468.db2.gz HCSWZJMKCAHZSK-SNVBAGLBSA-N 2 2 341.789 3.010 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1F ZINC001205913014 1370908654 /nfs/dbraw/zinc/90/86/54/1370908654.db2.gz GBSDBWQAMAZDNF-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1F ZINC001205913014 1370908657 /nfs/dbraw/zinc/90/86/57/1370908657.db2.gz GBSDBWQAMAZDNF-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206081184 1370957001 /nfs/dbraw/zinc/95/70/01/1370957001.db2.gz KSFRLQMTNNKHBF-FOIQADDNSA-N 2 2 338.451 3.309 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206081184 1370957004 /nfs/dbraw/zinc/95/70/04/1370957004.db2.gz KSFRLQMTNNKHBF-FOIQADDNSA-N 2 2 338.451 3.309 20 0 EGADLP CC[C@@H](C)CC[C@H](O)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116879011 1370993344 /nfs/dbraw/zinc/99/33/44/1370993344.db2.gz LNSTWUKTBTXEQP-HIFRSBDPSA-N 2 2 330.432 3.092 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533301 1371085399 /nfs/dbraw/zinc/08/53/99/1371085399.db2.gz CMRVRSPDLYXFGK-IAGOWNOFSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533301 1371085405 /nfs/dbraw/zinc/08/54/05/1371085405.db2.gz CMRVRSPDLYXFGK-IAGOWNOFSA-N 2 2 348.535 3.099 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206572844 1371097194 /nfs/dbraw/zinc/09/71/94/1371097194.db2.gz GAKKZZLHNNFGJT-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206572844 1371097199 /nfs/dbraw/zinc/09/71/99/1371097199.db2.gz GAKKZZLHNNFGJT-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206640652 1371115972 /nfs/dbraw/zinc/11/59/72/1371115972.db2.gz KFVJVMKFVUVQOZ-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1Br ZINC001206640652 1371115975 /nfs/dbraw/zinc/11/59/75/1371115975.db2.gz KFVJVMKFVUVQOZ-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP C[NH+](C)/C=C/c1ccncc1-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206739876 1371150386 /nfs/dbraw/zinc/15/03/86/1371150386.db2.gz JXFCXCJDZGOKOT-SOFGYWHQSA-N 2 2 341.430 3.252 20 0 EGADLP COc1ccc2cc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c(Cl)nc2c1 ZINC001206769753 1371159826 /nfs/dbraw/zinc/15/98/26/1371159826.db2.gz QCLKTLOSWWBNJG-CHWSQXEVSA-N 2 2 333.863 3.456 20 0 EGADLP COc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c(Cl)nc2c1 ZINC001206769753 1371159830 /nfs/dbraw/zinc/15/98/30/1371159830.db2.gz QCLKTLOSWWBNJG-CHWSQXEVSA-N 2 2 333.863 3.456 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)OC(C)(C)c2ccccc23)n1C ZINC001206795302 1371169422 /nfs/dbraw/zinc/16/94/22/1371169422.db2.gz ZURBTDMPPYKSJO-UHFFFAOYSA-N 2 2 325.456 3.485 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206811897 1371177036 /nfs/dbraw/zinc/17/70/36/1371177036.db2.gz WRTVXHZIPQHDRU-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1cccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1Br ZINC001206811897 1371177038 /nfs/dbraw/zinc/17/70/38/1371177038.db2.gz WRTVXHZIPQHDRU-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206832058 1371182305 /nfs/dbraw/zinc/18/23/05/1371182305.db2.gz WIQDDGOHLKKNHF-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(-c2ccc(OC)cc2)on1 ZINC001206832058 1371182307 /nfs/dbraw/zinc/18/23/07/1371182307.db2.gz WIQDDGOHLKKNHF-UHFFFAOYSA-N 2 2 326.400 3.069 20 0 EGADLP C[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)NC(=O)OC(C)(C)C ZINC001119327613 1371313184 /nfs/dbraw/zinc/31/31/84/1371313184.db2.gz IMOPUVLVLOVNGU-RDJZCZTQSA-N 2 2 344.459 3.127 20 0 EGADLP FC1(F)CCC(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001207345816 1371367136 /nfs/dbraw/zinc/36/71/36/1371367136.db2.gz NJULVFZHIYPDLC-UHFFFAOYSA-N 2 2 336.386 3.103 20 0 EGADLP FC1(F)CCC(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001207345816 1371367143 /nfs/dbraw/zinc/36/71/43/1371367143.db2.gz NJULVFZHIYPDLC-UHFFFAOYSA-N 2 2 336.386 3.103 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001207602672 1371449382 /nfs/dbraw/zinc/44/93/82/1371449382.db2.gz UALALYCNISNXGX-RTBURBONSA-N 2 2 339.458 3.217 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001207612991 1371452149 /nfs/dbraw/zinc/45/21/49/1371452149.db2.gz FWZOWHKUTPCLSF-VXKWHMMOSA-N 2 2 335.495 3.468 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248776 1371513816 /nfs/dbraw/zinc/51/38/16/1371513816.db2.gz UGQKIJNZUVATRR-SNAWJCMRSA-N 2 2 332.492 3.038 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048319 1371579396 /nfs/dbraw/zinc/57/93/96/1371579396.db2.gz GGHPLFCCTCNQHO-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP Fc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001208196342 1371636093 /nfs/dbraw/zinc/63/60/93/1371636093.db2.gz ATWHUBHNDAGSQG-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001208196342 1371636098 /nfs/dbraw/zinc/63/60/98/1371636098.db2.gz ATWHUBHNDAGSQG-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001208196342 1371636100 /nfs/dbraw/zinc/63/61/00/1371636100.db2.gz ATWHUBHNDAGSQG-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC001208196342 1371636108 /nfs/dbraw/zinc/63/61/08/1371636108.db2.gz ATWHUBHNDAGSQG-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386344 1371746977 /nfs/dbraw/zinc/74/69/77/1371746977.db2.gz BLZICJOSOYCNRJ-MSOLQXFVSA-N 2 2 332.492 3.017 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001208387917 1371747628 /nfs/dbraw/zinc/74/76/28/1371747628.db2.gz ZJEGGVRHXKRJDH-OALUTQOASA-N 2 2 346.519 3.241 20 0 EGADLP C[N@@H+](Cc1cccc(Br)c1F)C[C@H]1CCC[NH+](C)C1 ZINC001208609600 1371839866 /nfs/dbraw/zinc/83/98/66/1371839866.db2.gz KOWKDBYBRLCCFN-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1cccc(Br)c1F)C[C@H]1CCC[NH+](C)C1 ZINC001208609600 1371839871 /nfs/dbraw/zinc/83/98/71/1371839871.db2.gz KOWKDBYBRLCCFN-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1cccc(Br)c1F)C[C@H]1CCC[N@H+](C)C1 ZINC001208609600 1371839876 /nfs/dbraw/zinc/83/98/76/1371839876.db2.gz KOWKDBYBRLCCFN-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1cccc(Br)c1F)C[C@H]1CCC[N@@H+](C)C1 ZINC001208609600 1371839879 /nfs/dbraw/zinc/83/98/79/1371839879.db2.gz KOWKDBYBRLCCFN-LBPRGKRZSA-N 2 2 329.257 3.362 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208740622 1371880495 /nfs/dbraw/zinc/88/04/95/1371880495.db2.gz PZXOKXBQZCQUMY-ROUUACIJSA-N 2 2 341.886 3.341 20 0 EGADLP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001326368380 1388167613 /nfs/dbraw/zinc/16/76/13/1388167613.db2.gz BKDKEWPFJHPOCO-ZWKOTPCHSA-N 2 2 338.455 3.342 20 0 EGADLP CC[C@H](C)C[NH2+]C1CC2(CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001121395524 1371961043 /nfs/dbraw/zinc/96/10/43/1371961043.db2.gz LNVZSQCVLLHPGT-VPDSAYSTSA-N 2 2 340.471 3.011 20 0 EGADLP CC(=O)OC(C)(C)CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209157290 1372017896 /nfs/dbraw/zinc/01/78/96/1372017896.db2.gz HYJWIXFZZIFOPJ-UHFFFAOYSA-N 2 2 329.444 3.426 20 0 EGADLP CC(=O)OC(C)(C)CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001209157290 1372017900 /nfs/dbraw/zinc/01/79/00/1372017900.db2.gz HYJWIXFZZIFOPJ-UHFFFAOYSA-N 2 2 329.444 3.426 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](CCOc4ccccc4)C[C@H]3C2)c1 ZINC001209296209 1372061415 /nfs/dbraw/zinc/06/14/15/1372061415.db2.gz AFHIDWZTJJQRPH-IRXDYDNUSA-N 2 2 328.481 3.191 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC001209626828 1372155545 /nfs/dbraw/zinc/15/55/45/1372155545.db2.gz WDAFOEWVDPEIPJ-UHFFFAOYSA-N 2 2 347.466 3.500 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC001209626828 1372155548 /nfs/dbraw/zinc/15/55/48/1372155548.db2.gz WDAFOEWVDPEIPJ-UHFFFAOYSA-N 2 2 347.466 3.500 20 0 EGADLP Nc1cc[nH+]cc1C[NH+]1CCC(c2noc3ccc(F)cc32)CC1 ZINC001209732189 1372179396 /nfs/dbraw/zinc/17/93/96/1372179396.db2.gz ZHGNVEQJWQPCSK-UHFFFAOYSA-N 2 2 326.375 3.154 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210668427 1372403532 /nfs/dbraw/zinc/40/35/32/1372403532.db2.gz NXPLSNFUIWHHOP-HNNXBMFYSA-N 2 2 334.508 3.094 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001326471823 1388205851 /nfs/dbraw/zinc/20/58/51/1388205851.db2.gz CWSDKXXOLSHAHM-MRXNPFEDSA-N 2 2 347.422 3.041 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917414 1373141387 /nfs/dbraw/zinc/14/13/87/1373141387.db2.gz ZYIKCMWNEYXCEQ-QRQLOZEOSA-N 2 2 348.535 3.343 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(Cl)cc1 ZINC001130268606 1373481991 /nfs/dbraw/zinc/48/19/91/1373481991.db2.gz ASIPFWVPEWQSQC-GFCCVEGCSA-N 2 2 342.830 3.297 20 0 EGADLP [NH3+]Cc1ccc(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001219343647 1373702137 /nfs/dbraw/zinc/70/21/37/1373702137.db2.gz MRTHDOKHZGTBLV-JXMROGBWSA-N 2 2 332.407 3.042 20 0 EGADLP CCCc1ccc(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001131560328 1373721751 /nfs/dbraw/zinc/72/17/51/1373721751.db2.gz IMGJUCYDDUMMMH-UHFFFAOYSA-N 2 2 339.483 3.479 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132089954 1375139778 /nfs/dbraw/zinc/13/97/78/1375139778.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132089954 1375139783 /nfs/dbraw/zinc/13/97/83/1375139783.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132089954 1375139785 /nfs/dbraw/zinc/13/97/85/1375139785.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132089954 1375139788 /nfs/dbraw/zinc/13/97/88/1375139788.db2.gz BDRLUZRBHIPWKS-GOVFWEMJSA-N 2 2 332.492 3.058 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132133066 1375164055 /nfs/dbraw/zinc/16/40/55/1375164055.db2.gz XLXJSRMDESUDJQ-ZBFHGGJFSA-N 2 2 328.460 3.336 20 0 EGADLP CCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132133066 1375164057 /nfs/dbraw/zinc/16/40/57/1375164057.db2.gz XLXJSRMDESUDJQ-ZBFHGGJFSA-N 2 2 328.460 3.336 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)n1cc[nH+]c1 ZINC001226965875 1375373558 /nfs/dbraw/zinc/37/35/58/1375373558.db2.gz ZUQKZKHLIOHHHW-QRVBRYPASA-N 2 2 346.519 3.287 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001227175831 1375402508 /nfs/dbraw/zinc/40/25/08/1375402508.db2.gz NQFHJUAWPWLUGL-KZNAEPCWSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CC1CC(C)(C)C1 ZINC001132545663 1375452607 /nfs/dbraw/zinc/45/26/07/1375452607.db2.gz DGXBEFQWUXGYJG-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CC1CC(C)(C)C1 ZINC001132545663 1375452609 /nfs/dbraw/zinc/45/26/09/1375452609.db2.gz DGXBEFQWUXGYJG-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132546808 1375453410 /nfs/dbraw/zinc/45/34/10/1375453410.db2.gz RVWBLFLDJUKPOL-ZWKOTPCHSA-N 2 2 348.535 3.459 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132546808 1375453411 /nfs/dbraw/zinc/45/34/11/1375453411.db2.gz RVWBLFLDJUKPOL-ZWKOTPCHSA-N 2 2 348.535 3.459 20 0 EGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC[C@H]1C ZINC001133001650 1375704083 /nfs/dbraw/zinc/70/40/83/1375704083.db2.gz DOSWZTOSPIOIPR-RDTXWAMCSA-N 2 2 331.504 3.495 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001133021165 1375717621 /nfs/dbraw/zinc/71/76/21/1375717621.db2.gz JTKYSAKFWIGYQC-ASIGSXEYSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C\CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229384179 1375824349 /nfs/dbraw/zinc/82/43/49/1375824349.db2.gz BHCQKGUUUGLLEH-OSJSJHBBSA-N 2 2 332.492 3.161 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](C/C=C/Cl)CC1)c1ccccc1 ZINC001230017119 1375932124 /nfs/dbraw/zinc/93/21/24/1375932124.db2.gz UHENKKUUXQJWFU-VWGXWWAPSA-N 2 2 349.906 3.013 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](C/C=C/Cl)CC1)c1ccccc1 ZINC001230017119 1375932126 /nfs/dbraw/zinc/93/21/26/1375932126.db2.gz UHENKKUUXQJWFU-VWGXWWAPSA-N 2 2 349.906 3.013 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001133362977 1375945418 /nfs/dbraw/zinc/94/54/18/1375945418.db2.gz BINDSPYXIBWNDA-OALUTQOASA-N 2 2 348.535 3.174 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363945 1375946079 /nfs/dbraw/zinc/94/60/79/1375946079.db2.gz QIPXMCSFHCHQNZ-IEBWSBKVSA-N 2 2 348.535 3.174 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001230338334 1376003445 /nfs/dbraw/zinc/00/34/45/1376003445.db2.gz IUVFEHNSNBRJSA-RTBURBONSA-N 2 2 346.519 3.261 20 0 EGADLP COc1ccc(-c2c(C[N@H+](C)CCC[NH+]3CCCC3)cnn2C)cc1 ZINC001232113749 1376400510 /nfs/dbraw/zinc/40/05/10/1376400510.db2.gz JJGTUUSLVRBOJR-UHFFFAOYSA-N 2 2 342.487 3.013 20 0 EGADLP COc1ccc(-c2c(C[N@@H+](C)CCC[NH+]3CCCC3)cnn2C)cc1 ZINC001232113749 1376400512 /nfs/dbraw/zinc/40/05/12/1376400512.db2.gz JJGTUUSLVRBOJR-UHFFFAOYSA-N 2 2 342.487 3.013 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001134227783 1376423691 /nfs/dbraw/zinc/42/36/91/1376423691.db2.gz KEIGLKFQFYVEIK-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP COc1cc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001232349730 1376446992 /nfs/dbraw/zinc/44/69/92/1376446992.db2.gz HMBOJTJTPGMLTI-IRXDYDNUSA-N 2 2 343.496 3.024 20 0 EGADLP Nc1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232511807 1376473039 /nfs/dbraw/zinc/47/30/39/1376473039.db2.gz RZBVGMAQLGZHGW-IEBWSBKVSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232511807 1376473041 /nfs/dbraw/zinc/47/30/41/1376473041.db2.gz RZBVGMAQLGZHGW-IEBWSBKVSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511807 1376473043 /nfs/dbraw/zinc/47/30/43/1376473043.db2.gz RZBVGMAQLGZHGW-IEBWSBKVSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001232511807 1376473044 /nfs/dbraw/zinc/47/30/44/1376473044.db2.gz RZBVGMAQLGZHGW-IEBWSBKVSA-N 2 2 339.458 3.362 20 0 EGADLP CCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369238 1376496429 /nfs/dbraw/zinc/49/64/29/1376496429.db2.gz IXWTZDSFLALQMB-CABCVRRESA-N 2 2 330.476 3.319 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc4ncsc43)CC2)c1 ZINC001232738078 1376511178 /nfs/dbraw/zinc/51/11/78/1376511178.db2.gz RBPNTCXXXYOURJ-UHFFFAOYSA-N 2 2 340.452 3.022 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cnc1C ZINC001233158464 1376577173 /nfs/dbraw/zinc/57/71/73/1376577173.db2.gz IKHMJJWSSRMAFH-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1c[nH]c(=O)c(C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)c1 ZINC001233193772 1376583141 /nfs/dbraw/zinc/58/31/41/1376583141.db2.gz IJOHGIFPCOSZQD-UHFFFAOYSA-N 2 2 343.446 3.331 20 0 EGADLP Cc1c[nH]c(=O)c(C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)c1 ZINC001233193772 1376583144 /nfs/dbraw/zinc/58/31/44/1376583144.db2.gz IJOHGIFPCOSZQD-UHFFFAOYSA-N 2 2 343.446 3.331 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC2CCC2)c[nH+]1 ZINC001134728844 1376681398 /nfs/dbraw/zinc/68/13/98/1376681398.db2.gz CMVMADGAKDLEBN-JKSUJKDBSA-N 2 2 348.535 3.380 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739926 1376690298 /nfs/dbraw/zinc/69/02/98/1376690298.db2.gz LUBBYFRNROSXHM-ZIAGYGMSSA-N 2 2 330.476 3.486 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741275 1376691193 /nfs/dbraw/zinc/69/11/93/1376691193.db2.gz WIZGWVLAWUHFKK-KBPBESRZSA-N 2 2 342.487 3.486 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011815 1376752599 /nfs/dbraw/zinc/75/25/99/1376752599.db2.gz MRGFBMHXKDDEKI-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011815 1376752604 /nfs/dbraw/zinc/75/26/04/1376752604.db2.gz MRGFBMHXKDDEKI-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963852 1376813643 /nfs/dbraw/zinc/81/36/43/1376813643.db2.gz BFODPMUUHCLARS-HZPDHXFCSA-N 2 2 342.487 3.401 20 0 EGADLP Fc1ccccc1-c1cc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c[nH]1 ZINC001235019625 1376828111 /nfs/dbraw/zinc/82/81/11/1376828111.db2.gz BWOWMEBLWPCSIO-FQEVSTJZSA-N 2 2 343.446 3.023 20 0 EGADLP Fc1ccccc1-c1cc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c[nH]1 ZINC001235019625 1376828117 /nfs/dbraw/zinc/82/81/17/1376828117.db2.gz BWOWMEBLWPCSIO-FQEVSTJZSA-N 2 2 343.446 3.023 20 0 EGADLP COc1cc(C[N@@H+]2CCC3(C[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235024928 1376830362 /nfs/dbraw/zinc/83/03/62/1376830362.db2.gz SXFMATCBMYOUEE-UHFFFAOYSA-N 2 2 338.451 3.070 20 0 EGADLP COc1cc(C[N@H+]2CCC3(C[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC001235024928 1376830365 /nfs/dbraw/zinc/83/03/65/1376830365.db2.gz SXFMATCBMYOUEE-UHFFFAOYSA-N 2 2 338.451 3.070 20 0 EGADLP CC(C)Oc1ccc(-c2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cn2)cc1 ZINC001235026375 1376830806 /nfs/dbraw/zinc/83/08/06/1376830806.db2.gz OYOUTSLBZFPLMI-UHFFFAOYSA-N 2 2 337.467 3.331 20 0 EGADLP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cn2)cc1 ZINC001235026375 1376830808 /nfs/dbraw/zinc/83/08/08/1376830808.db2.gz OYOUTSLBZFPLMI-UHFFFAOYSA-N 2 2 337.467 3.331 20 0 EGADLP CSCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235040044 1376838554 /nfs/dbraw/zinc/83/85/54/1376838554.db2.gz SGGDJKBQZMICGO-UHFFFAOYSA-N 2 2 340.290 3.430 20 0 EGADLP CSCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235040044 1376838559 /nfs/dbraw/zinc/83/85/59/1376838559.db2.gz SGGDJKBQZMICGO-UHFFFAOYSA-N 2 2 340.290 3.430 20 0 EGADLP CCc1cccc2cc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(Cl)nc21 ZINC001235192912 1376858860 /nfs/dbraw/zinc/85/88/60/1376858860.db2.gz HMOGRRJRRSLUAE-NVXWUHKLSA-N 2 2 329.875 3.492 20 0 EGADLP CCc1cccc2cc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(Cl)nc21 ZINC001235192912 1376858869 /nfs/dbraw/zinc/85/88/69/1376858869.db2.gz HMOGRRJRRSLUAE-NVXWUHKLSA-N 2 2 329.875 3.492 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2cccnc2)c(C)[nH+]1 ZINC001135036663 1376860825 /nfs/dbraw/zinc/86/08/25/1376860825.db2.gz BJMYXVBCVVCGQR-GDBMZVCRSA-N 2 2 340.471 3.089 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOC2CCC2)c(C)[nH+]1 ZINC001135042970 1376864095 /nfs/dbraw/zinc/86/40/95/1376864095.db2.gz FGEWOAZOVIJVPY-GDBMZVCRSA-N 2 2 347.503 3.062 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1OCc1ccccc1 ZINC001235253858 1376864398 /nfs/dbraw/zinc/86/43/98/1376864398.db2.gz FWGNSWWKPFBLKJ-LNLFQRSKSA-N 2 2 326.415 3.326 20 0 EGADLP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1OCc1ccccc1 ZINC001235253858 1376864408 /nfs/dbraw/zinc/86/44/08/1376864408.db2.gz FWGNSWWKPFBLKJ-LNLFQRSKSA-N 2 2 326.415 3.326 20 0 EGADLP Oc1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428353 1376869544 /nfs/dbraw/zinc/86/95/44/1376869544.db2.gz PORHNILZPFTYEW-OLZOCXBDSA-N 2 2 326.843 3.396 20 0 EGADLP Oc1cc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC001235428353 1376869549 /nfs/dbraw/zinc/86/95/49/1376869549.db2.gz PORHNILZPFTYEW-OLZOCXBDSA-N 2 2 326.843 3.396 20 0 EGADLP c1ccc(C[N@@H+](Cc2ccc3c(c2)CCCN3)C2CC[NH2+]CC2)nc1 ZINC001236446984 1376952878 /nfs/dbraw/zinc/95/28/78/1376952878.db2.gz QAEHAYMNETWVAY-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP c1ccc(C[N@H+](Cc2ccc3c(c2)CCCN3)C2CC[NH2+]CC2)nc1 ZINC001236446984 1376952882 /nfs/dbraw/zinc/95/28/82/1376952882.db2.gz QAEHAYMNETWVAY-UHFFFAOYSA-N 2 2 336.483 3.194 20 0 EGADLP C[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001237057637 1376973572 /nfs/dbraw/zinc/97/35/72/1376973572.db2.gz OZWAZMVMFOAAPW-FZMZJTMJSA-N 2 2 327.266 3.166 20 0 EGADLP C[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001237057637 1376973579 /nfs/dbraw/zinc/97/35/79/1376973579.db2.gz OZWAZMVMFOAAPW-FZMZJTMJSA-N 2 2 327.266 3.166 20 0 EGADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)c(F)c1 ZINC001237141500 1376976359 /nfs/dbraw/zinc/97/63/59/1376976359.db2.gz GYNUNSZNFLUCIT-FQEVSTJZSA-N 2 2 344.405 3.196 20 0 EGADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)cc2)c(F)c1 ZINC001237141500 1376976361 /nfs/dbraw/zinc/97/63/61/1376976361.db2.gz GYNUNSZNFLUCIT-FQEVSTJZSA-N 2 2 344.405 3.196 20 0 EGADLP C[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001237460844 1376979176 /nfs/dbraw/zinc/97/91/76/1376979176.db2.gz BCZWOYUJXXIGSR-FZMZJTMJSA-N 2 2 327.266 3.166 20 0 EGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001237460844 1376979183 /nfs/dbraw/zinc/97/91/83/1376979183.db2.gz BCZWOYUJXXIGSR-FZMZJTMJSA-N 2 2 327.266 3.166 20 0 EGADLP COc1ccc(C)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001237709972 1376984403 /nfs/dbraw/zinc/98/44/03/1376984403.db2.gz LJZRMNZCJYUATG-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP COc1ccc(C)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001237709972 1376984411 /nfs/dbraw/zinc/98/44/11/1376984411.db2.gz LJZRMNZCJYUATG-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135798122 1377213615 /nfs/dbraw/zinc/21/36/15/1377213615.db2.gz BFGDXCINGKWNJY-JKSUJKDBSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH2+]CCC1CC1 ZINC001135840908 1377228949 /nfs/dbraw/zinc/22/89/49/1377228949.db2.gz RHJJYBIDOLPQLN-CVEARBPZSA-N 2 2 340.471 3.159 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001136032038 1377305830 /nfs/dbraw/zinc/30/58/30/1377305830.db2.gz VENKVGYUHBXPRN-CABCVRRESA-N 2 2 332.492 3.024 20 0 EGADLP c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001137316013 1377516117 /nfs/dbraw/zinc/51/61/17/1377516117.db2.gz WJPJDGXUXIBRQO-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccccc2[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001137316013 1377516121 /nfs/dbraw/zinc/51/61/21/1377516121.db2.gz WJPJDGXUXIBRQO-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001137316013 1377516127 /nfs/dbraw/zinc/51/61/27/1377516127.db2.gz WJPJDGXUXIBRQO-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001137316013 1377516130 /nfs/dbraw/zinc/51/61/30/1377516130.db2.gz WJPJDGXUXIBRQO-HDICACEKSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@H+]3C[C@@H](C)CC(C)C)ccn12 ZINC001269234543 1377544770 /nfs/dbraw/zinc/54/47/70/1377544770.db2.gz ATDQSYOKRFUBJO-MAUKXSAKSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[N@@H+]3C[C@@H](C)CC(C)C)ccn12 ZINC001269234543 1377544772 /nfs/dbraw/zinc/54/47/72/1377544772.db2.gz ATDQSYOKRFUBJO-MAUKXSAKSA-N 2 2 342.487 3.129 20 0 EGADLP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272049191 1377655593 /nfs/dbraw/zinc/65/55/93/1377655593.db2.gz OJTTTXCDDMCMOR-UHFFFAOYSA-N 2 2 330.476 3.393 20 0 EGADLP CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272049191 1377655594 /nfs/dbraw/zinc/65/55/94/1377655594.db2.gz OJTTTXCDDMCMOR-UHFFFAOYSA-N 2 2 330.476 3.393 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cc(O)cc(O)c3)CC2)c2ccccc2[nH+]1 ZINC001138323969 1377701811 /nfs/dbraw/zinc/70/18/11/1377701811.db2.gz FOMYNUKSWVHWNU-UHFFFAOYSA-N 2 2 349.434 3.277 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(OC)c3)C[C@@H]2C1 ZINC001138555933 1377741752 /nfs/dbraw/zinc/74/17/52/1377741752.db2.gz XQZMQOKHGRZFAM-GASCZTMLSA-N 2 2 340.414 3.070 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)F)c(OC)c3)C[C@@H]2C1 ZINC001138555933 1377741753 /nfs/dbraw/zinc/74/17/53/1377741753.db2.gz XQZMQOKHGRZFAM-GASCZTMLSA-N 2 2 340.414 3.070 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(OC)c3)C[C@@H]2C1 ZINC001138555933 1377741754 /nfs/dbraw/zinc/74/17/54/1377741754.db2.gz XQZMQOKHGRZFAM-GASCZTMLSA-N 2 2 340.414 3.070 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(OC)c3)C[C@@H]2C1 ZINC001138555933 1377741755 /nfs/dbraw/zinc/74/17/55/1377741755.db2.gz XQZMQOKHGRZFAM-GASCZTMLSA-N 2 2 340.414 3.070 20 0 EGADLP C[NH+](C)CCN(Cc1c[nH+]cn1Cc1ccccc1)Cc1ccccc1 ZINC001138560639 1377742136 /nfs/dbraw/zinc/74/21/36/1377742136.db2.gz DYPZLFXFZOPCKY-UHFFFAOYSA-N 2 2 348.494 3.495 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5cccnc5c4)C[C@@H]3C2)nc1 ZINC001139171343 1377843258 /nfs/dbraw/zinc/84/32/58/1377843258.db2.gz SXJXBOPYCPMXBK-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190785 1377847473 /nfs/dbraw/zinc/84/74/73/1377847473.db2.gz WPSGZHSBWYTGHU-HXUWFJFHSA-N 2 2 341.499 3.254 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3c(ccn3C)c2)CC1 ZINC001139190785 1377847475 /nfs/dbraw/zinc/84/74/75/1377847475.db2.gz WPSGZHSBWYTGHU-HXUWFJFHSA-N 2 2 341.499 3.254 20 0 EGADLP c1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc2nonc12 ZINC001139220044 1377854857 /nfs/dbraw/zinc/85/48/57/1377854857.db2.gz ANIULFOFKDSQLE-UHFFFAOYSA-N 2 2 326.444 3.063 20 0 EGADLP c1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc2nonc12 ZINC001139220044 1377854860 /nfs/dbraw/zinc/85/48/60/1377854860.db2.gz ANIULFOFKDSQLE-UHFFFAOYSA-N 2 2 326.444 3.063 20 0 EGADLP Brc1ccsc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001139309285 1377865540 /nfs/dbraw/zinc/86/55/40/1377865540.db2.gz NYZFYFXUJFTWJX-UHFFFAOYSA-N 2 2 338.274 3.228 20 0 EGADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)[C@@H]1CCc2ccccc21 ZINC001139326263 1377868959 /nfs/dbraw/zinc/86/89/59/1377868959.db2.gz OHSGQXFOUJDZDM-GOSISDBHSA-N 2 2 342.512 3.014 20 0 EGADLP c1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762203 1377947889 /nfs/dbraw/zinc/94/78/89/1377947889.db2.gz VDTMOGVFZHYGDI-WOJBJXKFSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139762203 1377947891 /nfs/dbraw/zinc/94/78/91/1377947891.db2.gz VDTMOGVFZHYGDI-WOJBJXKFSA-N 2 2 344.499 3.020 20 0 EGADLP COc1cc2c(cn1)CC[N@H+](Cc1ccccc1-n1cc[nH+]c1C)C2 ZINC001140029803 1377993346 /nfs/dbraw/zinc/99/33/46/1377993346.db2.gz TULXFCKNMINFNH-UHFFFAOYSA-N 2 2 334.423 3.143 20 0 EGADLP COc1cc2c(cn1)CC[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)C2 ZINC001140029803 1377993348 /nfs/dbraw/zinc/99/33/48/1377993348.db2.gz TULXFCKNMINFNH-UHFFFAOYSA-N 2 2 334.423 3.143 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)ccc1O ZINC001140575791 1378088582 /nfs/dbraw/zinc/08/85/82/1378088582.db2.gz YTGZLDHJKWUMAV-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)ccc1O ZINC001140575791 1378088584 /nfs/dbraw/zinc/08/85/84/1378088584.db2.gz YTGZLDHJKWUMAV-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)ccc1O ZINC001140575791 1378088585 /nfs/dbraw/zinc/08/85/85/1378088585.db2.gz YTGZLDHJKWUMAV-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)ccc1O ZINC001140575791 1378088587 /nfs/dbraw/zinc/08/85/87/1378088587.db2.gz YTGZLDHJKWUMAV-PZJWPPBQSA-N 2 2 344.499 3.023 20 0 EGADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001275163808 1378136230 /nfs/dbraw/zinc/13/62/30/1378136230.db2.gz ZDTKHQSWBMCQEW-YHWZYXNKSA-N 2 2 333.423 3.489 20 0 EGADLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001275163808 1378136232 /nfs/dbraw/zinc/13/62/32/1378136232.db2.gz ZDTKHQSWBMCQEW-YHWZYXNKSA-N 2 2 333.423 3.489 20 0 EGADLP CC(C)(C)OC(=O)NCC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801011 1378139667 /nfs/dbraw/zinc/13/96/67/1378139667.db2.gz FBQPUIHQLITUQA-UHFFFAOYSA-N 2 2 344.459 3.300 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802372 1378141731 /nfs/dbraw/zinc/14/17/31/1378141731.db2.gz TYOHEKLITXECIA-AWEZNQCLSA-N 2 2 330.432 3.052 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802372 1378141732 /nfs/dbraw/zinc/14/17/32/1378141732.db2.gz TYOHEKLITXECIA-AWEZNQCLSA-N 2 2 330.432 3.052 20 0 EGADLP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805848 1378143299 /nfs/dbraw/zinc/14/32/99/1378143299.db2.gz NVPCWFSICJUUGJ-BBRMVZONSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805848 1378143301 /nfs/dbraw/zinc/14/33/01/1378143301.db2.gz NVPCWFSICJUUGJ-BBRMVZONSA-N 2 2 344.459 3.441 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001140805346 1378144490 /nfs/dbraw/zinc/14/44/90/1378144490.db2.gz BMWQRZDOWMYNJE-UWJYYQICSA-N 2 2 332.451 3.269 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001140805346 1378144496 /nfs/dbraw/zinc/14/44/96/1378144496.db2.gz BMWQRZDOWMYNJE-UWJYYQICSA-N 2 2 332.451 3.269 20 0 EGADLP c1cc2c(ccnc2N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)o1 ZINC001140805522 1378144705 /nfs/dbraw/zinc/14/47/05/1378144705.db2.gz AIRURFCJOIFZSE-UHFFFAOYSA-N 2 2 333.395 3.026 20 0 EGADLP CS[C@@H](C)CC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470825 1378174542 /nfs/dbraw/zinc/17/45/42/1378174542.db2.gz QQMCURBKKCHUCU-WMZOPIPTSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@@H](C)CC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276470825 1378174546 /nfs/dbraw/zinc/17/45/46/1378174546.db2.gz QQMCURBKKCHUCU-WMZOPIPTSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470825 1378174550 /nfs/dbraw/zinc/17/45/50/1378174550.db2.gz QQMCURBKKCHUCU-WMZOPIPTSA-N 2 2 336.549 3.229 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276470825 1378174553 /nfs/dbraw/zinc/17/45/53/1378174553.db2.gz QQMCURBKKCHUCU-WMZOPIPTSA-N 2 2 336.549 3.229 20 0 EGADLP CCCCc1[nH]c(C[NH+]2CCC3(CCN(C(=O)OC)CC3)CC2)c[nH+]1 ZINC001141067214 1378225722 /nfs/dbraw/zinc/22/57/22/1378225722.db2.gz WNOLVJGPAJRVBR-UHFFFAOYSA-N 2 2 348.491 3.197 20 0 EGADLP CCCCc1[nH]c(C[NH+]2CCC3(CCOC[C@@H]3COCC)CC2)c[nH+]1 ZINC001141070651 1378228666 /nfs/dbraw/zinc/22/86/66/1378228666.db2.gz KIESANGINTXOEA-KRWDZBQOSA-N 2 2 349.519 3.408 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001141155810 1378253011 /nfs/dbraw/zinc/25/30/11/1378253011.db2.gz KJIAMWFNBZUYHQ-CQSZACIVSA-N 2 2 348.349 3.365 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001141155810 1378253015 /nfs/dbraw/zinc/25/30/15/1378253015.db2.gz KJIAMWFNBZUYHQ-CQSZACIVSA-N 2 2 348.349 3.365 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@H]2C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC001278172993 1378261441 /nfs/dbraw/zinc/26/14/41/1378261441.db2.gz FNLLEBUCEJUIAT-INIZCTEOSA-N 2 2 340.471 3.421 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C(F)(F)F)cc1OC ZINC001141612480 1378351529 /nfs/dbraw/zinc/35/15/29/1378351529.db2.gz RVURINVBUJHZQG-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP C[N@@H+](Cc1cccn2ccnc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142961062 1378516718 /nfs/dbraw/zinc/51/67/18/1378516718.db2.gz CTJCWMKCYCARFU-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cccn2ccnc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142961062 1378516722 /nfs/dbraw/zinc/51/67/22/1378516722.db2.gz CTJCWMKCYCARFU-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccn2ccnc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142961062 1378516728 /nfs/dbraw/zinc/51/67/28/1378516728.db2.gz CTJCWMKCYCARFU-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccn2ccnc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142961062 1378516736 /nfs/dbraw/zinc/51/67/36/1378516736.db2.gz CTJCWMKCYCARFU-LJQANCHMSA-N 2 2 334.467 3.288 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)nn2C)C1 ZINC001143016755 1378525830 /nfs/dbraw/zinc/52/58/30/1378525830.db2.gz HDFSZFCRDWYEDF-IBGZPJMESA-N 2 2 348.450 3.444 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)nn2C)C1 ZINC001143016755 1378525835 /nfs/dbraw/zinc/52/58/35/1378525835.db2.gz HDFSZFCRDWYEDF-IBGZPJMESA-N 2 2 348.450 3.444 20 0 EGADLP Cc1cc(F)cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001143587798 1378621783 /nfs/dbraw/zinc/62/17/83/1378621783.db2.gz OXVVRSYJWJXYEY-QZTJIDSGSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cnc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001143670280 1378632933 /nfs/dbraw/zinc/63/29/33/1378632933.db2.gz KUIJXWWNDMDIIA-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1cnc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001143670280 1378632936 /nfs/dbraw/zinc/63/29/36/1378632936.db2.gz KUIJXWWNDMDIIA-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(F)c1F ZINC001143907177 1378659032 /nfs/dbraw/zinc/65/90/32/1378659032.db2.gz NLYKKXSBCACQQN-UHFFFAOYSA-N 2 2 347.409 3.416 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001144005517 1378669714 /nfs/dbraw/zinc/66/97/14/1378669714.db2.gz VYEOPDAXVROMJL-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001144005517 1378669715 /nfs/dbraw/zinc/66/97/15/1378669715.db2.gz VYEOPDAXVROMJL-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001144005517 1378669718 /nfs/dbraw/zinc/66/97/18/1378669718.db2.gz VYEOPDAXVROMJL-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP COc1ccc(OC(F)(F)F)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001144005517 1378669720 /nfs/dbraw/zinc/66/97/20/1378669720.db2.gz VYEOPDAXVROMJL-MRXNPFEDSA-N 2 2 344.377 3.121 20 0 EGADLP c1[nH+]c(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c2ccccn12 ZINC001144625068 1378752366 /nfs/dbraw/zinc/75/23/66/1378752366.db2.gz BGDMBPMCPJBBCU-UHFFFAOYSA-N 2 2 346.478 3.432 20 0 EGADLP CCO[C@@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C)c1ccccc1 ZINC001146986522 1378952165 /nfs/dbraw/zinc/95/21/65/1378952165.db2.gz DSXHVJBCPSHQTQ-GOSISDBHSA-N 2 2 336.395 3.292 20 0 EGADLP CC(C)(C)[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284631501 1380035749 /nfs/dbraw/zinc/03/57/49/1380035749.db2.gz NXPYIHHTCQDUSJ-QGZVFWFLSA-N 2 2 334.508 3.043 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897073 1380151525 /nfs/dbraw/zinc/15/15/25/1380151525.db2.gz ICGBLIGRNGYTKP-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897073 1380151527 /nfs/dbraw/zinc/15/15/27/1380151527.db2.gz ICGBLIGRNGYTKP-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153897073 1380151528 /nfs/dbraw/zinc/15/15/28/1380151528.db2.gz ICGBLIGRNGYTKP-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153897073 1380151529 /nfs/dbraw/zinc/15/15/29/1380151529.db2.gz ICGBLIGRNGYTKP-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@H+](CC1CCC1)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154491942 1380288612 /nfs/dbraw/zinc/28/86/12/1380288612.db2.gz BFBFPYSEFNELGL-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@@H+](CC1CCC1)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154491942 1380288615 /nfs/dbraw/zinc/28/86/15/1380288615.db2.gz BFBFPYSEFNELGL-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1)C1CC1 ZINC001155030407 1380395270 /nfs/dbraw/zinc/39/52/70/1380395270.db2.gz JUKFDRIXSYJADL-JLSDUUJJSA-N 2 2 345.487 3.186 20 0 EGADLP Clc1cc(-c2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2)ccn1 ZINC001155054241 1380399379 /nfs/dbraw/zinc/39/93/79/1380399379.db2.gz VSAFFQDMVMMRGF-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189105 1380421297 /nfs/dbraw/zinc/42/12/97/1380421297.db2.gz GKKDLLGGDOFGRS-PMKBXARWSA-N 2 2 346.519 3.403 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189105 1380421299 /nfs/dbraw/zinc/42/12/99/1380421299.db2.gz GKKDLLGGDOFGRS-PMKBXARWSA-N 2 2 346.519 3.403 20 0 EGADLP CC1(Nc2cc(N)[nH+]cn2)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001155306437 1380435248 /nfs/dbraw/zinc/43/52/48/1380435248.db2.gz ZKCAHHZEZVBNOW-UHFFFAOYSA-N 2 2 345.450 3.335 20 0 EGADLP COc1ccc2[nH+]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c(C)cc2c1 ZINC001155592441 1380471128 /nfs/dbraw/zinc/47/11/28/1380471128.db2.gz PEBCZXUHMQBFQX-FOIQADDNSA-N 2 2 341.455 3.122 20 0 EGADLP Clc1ccc2c(cc[nH+]c2NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001155595225 1380471328 /nfs/dbraw/zinc/47/13/28/1380471328.db2.gz BVKYTTJQZDFXAX-SCLBCKFNSA-N 2 2 331.847 3.459 20 0 EGADLP Clc1ccc2c(cc[nH+]c2NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001155595224 1380471430 /nfs/dbraw/zinc/47/14/30/1380471430.db2.gz BVKYTTJQZDFXAX-FZKQIMNGSA-N 2 2 331.847 3.459 20 0 EGADLP COc1cc2[nH+]c(NCC[C@@H]3CCC[N@H+](C)C3)ccc2c(OC)c1 ZINC001156386584 1380569572 /nfs/dbraw/zinc/56/95/72/1380569572.db2.gz YOMSZNNNKMRYFH-AWEZNQCLSA-N 2 2 329.444 3.396 20 0 EGADLP COc1cc2[nH+]c(NCC[C@@H]3CCC[N@@H+](C)C3)ccc2c(OC)c1 ZINC001156386584 1380569577 /nfs/dbraw/zinc/56/95/77/1380569577.db2.gz YOMSZNNNKMRYFH-AWEZNQCLSA-N 2 2 329.444 3.396 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571481 1381305087 /nfs/dbraw/zinc/30/50/87/1381305087.db2.gz LJLROSUXZGGMFF-IEBWSBKVSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571481 1381305091 /nfs/dbraw/zinc/30/50/91/1381305091.db2.gz LJLROSUXZGGMFF-IEBWSBKVSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571481 1381305094 /nfs/dbraw/zinc/30/50/94/1381305094.db2.gz LJLROSUXZGGMFF-IEBWSBKVSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571481 1381305099 /nfs/dbraw/zinc/30/50/99/1381305099.db2.gz LJLROSUXZGGMFF-IEBWSBKVSA-N 2 2 348.535 3.337 20 0 EGADLP CC[C@H](C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949404 1381481213 /nfs/dbraw/zinc/48/12/13/1381481213.db2.gz NRYOLJIHNDFNIG-ZWKOTPCHSA-N 2 2 334.508 3.022 20 0 EGADLP CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949404 1381481216 /nfs/dbraw/zinc/48/12/16/1381481216.db2.gz NRYOLJIHNDFNIG-ZWKOTPCHSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955615 1381484070 /nfs/dbraw/zinc/48/40/70/1381484070.db2.gz OCDOPUGCUBQFFM-LJQANCHMSA-N 2 2 344.503 3.087 20 0 EGADLP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955615 1381484077 /nfs/dbraw/zinc/48/40/77/1381484077.db2.gz OCDOPUGCUBQFFM-LJQANCHMSA-N 2 2 344.503 3.087 20 0 EGADLP Clc1cc(Nc2cccc(CN3CC[NH2+]CC3)c2)cn2cc[nH+]c12 ZINC001159267287 1381748132 /nfs/dbraw/zinc/74/81/32/1381748132.db2.gz ZXXNUYLDODXCJF-UHFFFAOYSA-N 2 2 341.846 3.137 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001159537029 1381820770 /nfs/dbraw/zinc/82/07/70/1381820770.db2.gz GINTUWASKMAZET-KRWDZBQOSA-N 2 2 348.878 3.243 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001159537029 1381820774 /nfs/dbraw/zinc/82/07/74/1381820774.db2.gz GINTUWASKMAZET-KRWDZBQOSA-N 2 2 348.878 3.243 20 0 EGADLP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330708 1382075051 /nfs/dbraw/zinc/07/50/51/1382075051.db2.gz IRSOMEJZKNRKCO-SNAWJCMRSA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330708 1382075057 /nfs/dbraw/zinc/07/50/57/1382075057.db2.gz IRSOMEJZKNRKCO-SNAWJCMRSA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330708 1382075059 /nfs/dbraw/zinc/07/50/59/1382075059.db2.gz IRSOMEJZKNRKCO-SNAWJCMRSA-N 2 2 344.503 3.227 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330708 1382075065 /nfs/dbraw/zinc/07/50/65/1382075065.db2.gz IRSOMEJZKNRKCO-SNAWJCMRSA-N 2 2 344.503 3.227 20 0 EGADLP CCCC[N@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423638 1382099876 /nfs/dbraw/zinc/09/98/76/1382099876.db2.gz ULMICBFUUSSTJK-LJQANCHMSA-N 2 2 346.519 3.409 20 0 EGADLP CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001160423638 1382099879 /nfs/dbraw/zinc/09/98/79/1382099879.db2.gz ULMICBFUUSSTJK-LJQANCHMSA-N 2 2 346.519 3.409 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC001160503217 1382125531 /nfs/dbraw/zinc/12/55/31/1382125531.db2.gz DTOVGWSBGQYCAA-FXAWDEMLSA-N 2 2 348.450 3.104 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528596 1382132281 /nfs/dbraw/zinc/13/22/81/1382132281.db2.gz RNSCTSCBIGQUKG-QZTJIDSGSA-N 2 2 336.524 3.248 20 0 EGADLP O=C(NCCC[NH2+][C@H]1CCCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001160992154 1382265747 /nfs/dbraw/zinc/26/57/47/1382265747.db2.gz RHLFOCHYRPVCQU-IBGZPJMESA-N 2 2 348.450 3.350 20 0 EGADLP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184418 1382330924 /nfs/dbraw/zinc/33/09/24/1382330924.db2.gz GZPLXMPIPFIRNH-DOTOQJQBSA-N 2 2 344.503 3.014 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161184418 1382330930 /nfs/dbraw/zinc/33/09/30/1382330930.db2.gz GZPLXMPIPFIRNH-DOTOQJQBSA-N 2 2 344.503 3.014 20 0 EGADLP CCc1cc(N[C@H]2CC[N@H+](Cc3cccc(OC)c3)C2)nc(C)[nH+]1 ZINC001161193057 1382336186 /nfs/dbraw/zinc/33/61/86/1382336186.db2.gz PLEJNZKEYHFPHB-KRWDZBQOSA-N 2 2 326.444 3.042 20 0 EGADLP CCc1cc(N[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)nc(C)[nH+]1 ZINC001161193057 1382336188 /nfs/dbraw/zinc/33/61/88/1382336188.db2.gz PLEJNZKEYHFPHB-KRWDZBQOSA-N 2 2 326.444 3.042 20 0 EGADLP COc1ccc(Cn2c[nH+]cc2CNc2cc(N(C)C)cc[nH+]2)cc1 ZINC001161507975 1382426836 /nfs/dbraw/zinc/42/68/36/1382426836.db2.gz VRRXDQBKXKDGTA-UHFFFAOYSA-N 2 2 337.427 3.013 20 0 EGADLP O=C(NCCC[NH2+]CC/C=C/c1ccccc1)c1cccc2[nH+]ccn21 ZINC001162428096 1382756628 /nfs/dbraw/zinc/75/66/28/1382756628.db2.gz WIBRAECRDNLROI-ONNFQVAWSA-N 2 2 348.450 3.147 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001162432681 1382757056 /nfs/dbraw/zinc/75/70/56/1382757056.db2.gz GPQDHCUYSJEBRI-IRXDYDNUSA-N 2 2 342.487 3.260 20 0 EGADLP F[C@@]1(CNc2[nH]c3ccc(Br)cc3[nH+]2)CCCC[NH2+]C1 ZINC001162584044 1382798952 /nfs/dbraw/zinc/79/89/52/1382798952.db2.gz YGMSSKOOYDAPIQ-AWEZNQCLSA-N 2 2 341.228 3.219 20 0 EGADLP F[C@@]1(CNc2[nH]c3cc(Br)ccc3[nH+]2)CCCC[NH2+]C1 ZINC001162584044 1382798956 /nfs/dbraw/zinc/79/89/56/1382798956.db2.gz YGMSSKOOYDAPIQ-AWEZNQCLSA-N 2 2 341.228 3.219 20 0 EGADLP Cc1cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c[nH+]c1N1CCOCC1 ZINC001162907961 1382912532 /nfs/dbraw/zinc/91/25/32/1382912532.db2.gz AYVQRLUNKDUPKN-HNNXBMFYSA-N 2 2 336.439 3.190 20 0 EGADLP CC(C)c1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc(C(C)C)n1 ZINC001164210292 1383166165 /nfs/dbraw/zinc/16/61/65/1383166165.db2.gz BPBYCUDINICJEC-UHFFFAOYSA-N 2 2 333.524 3.161 20 0 EGADLP COc1cccc(C(F)(F)F)c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164213585 1383166691 /nfs/dbraw/zinc/16/66/91/1383166691.db2.gz XHWANKXJENYRSQ-UHFFFAOYSA-N 2 2 345.409 3.152 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001165108634 1383230130 /nfs/dbraw/zinc/23/01/30/1383230130.db2.gz OGDMTALCPXQSEO-SFHVURJKSA-N 2 2 325.456 3.314 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC001165108634 1383230134 /nfs/dbraw/zinc/23/01/34/1383230134.db2.gz OGDMTALCPXQSEO-SFHVURJKSA-N 2 2 325.456 3.314 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001165168542 1383240505 /nfs/dbraw/zinc/24/05/05/1383240505.db2.gz KQIPYDZLRDLKET-PXNSSMCTSA-N 2 2 341.886 3.443 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001165168542 1383240508 /nfs/dbraw/zinc/24/05/08/1383240508.db2.gz KQIPYDZLRDLKET-PXNSSMCTSA-N 2 2 341.886 3.443 20 0 EGADLP COc1ccc2c(c1)nc(Cl)cc2-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165353943 1383281268 /nfs/dbraw/zinc/28/12/68/1383281268.db2.gz VHDJUTBNQBOPQE-UHFFFAOYSA-N 2 2 342.830 3.079 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC2(C[NH2+]CCCC(C)C)CC2)c[nH+]1 ZINC001165718732 1383331335 /nfs/dbraw/zinc/33/13/35/1383331335.db2.gz PNZOXTQFLAIPNO-UHFFFAOYSA-N 2 2 348.535 3.239 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348118 1383605750 /nfs/dbraw/zinc/60/57/50/1383605750.db2.gz CBFTUEIEGVJDNY-QGZVFWFLSA-N 2 2 334.508 3.291 20 0 EGADLP Cc1cc(C)c(C[NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001167432151 1383632833 /nfs/dbraw/zinc/63/28/33/1383632833.db2.gz HPMBVYFARLYQFX-SFHVURJKSA-N 2 2 342.487 3.056 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001167835271 1383754116 /nfs/dbraw/zinc/75/41/16/1383754116.db2.gz QMQIMNBAKAXGIQ-MRXNPFEDSA-N 3 2 336.499 3.290 20 0 EGADLP C[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167974277 1383783380 /nfs/dbraw/zinc/78/33/80/1383783380.db2.gz TZZMQVKUQPQCEE-JIMIUWDKSA-N 3 2 341.543 3.489 20 0 EGADLP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167974277 1383783385 /nfs/dbraw/zinc/78/33/85/1383783385.db2.gz TZZMQVKUQPQCEE-JIMIUWDKSA-N 3 2 341.543 3.489 20 0 EGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167974277 1383783389 /nfs/dbraw/zinc/78/33/89/1383783389.db2.gz TZZMQVKUQPQCEE-JIMIUWDKSA-N 3 2 341.543 3.489 20 0 EGADLP C[C@H](C[NH3+])C[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974277 1383783393 /nfs/dbraw/zinc/78/33/93/1383783393.db2.gz TZZMQVKUQPQCEE-JIMIUWDKSA-N 3 2 341.543 3.489 20 0 EGADLP FC1(F)CSC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167994536 1383791119 /nfs/dbraw/zinc/79/11/19/1383791119.db2.gz HYEJLMIWMHEXOD-YIONKMFJSA-N 2 2 328.472 3.218 20 0 EGADLP FC1(F)CSC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167994536 1383791124 /nfs/dbraw/zinc/79/11/24/1383791124.db2.gz HYEJLMIWMHEXOD-YIONKMFJSA-N 2 2 328.472 3.218 20 0 EGADLP NCC[N@H+](C1CC[NH+](CC2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001168362749 1383883430 /nfs/dbraw/zinc/88/34/30/1383883430.db2.gz GMSMPNVVULLAGN-UHFFFAOYSA-N 2 2 331.548 3.090 20 0 EGADLP NCC[N@@H+](C1CC[NH+](CC2CC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001168362749 1383883436 /nfs/dbraw/zinc/88/34/36/1383883436.db2.gz GMSMPNVVULLAGN-UHFFFAOYSA-N 2 2 331.548 3.090 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001168729282 1383982572 /nfs/dbraw/zinc/98/25/72/1383982572.db2.gz HPYFXRCVGOIAHU-FSZRXZPDSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001168729282 1383982576 /nfs/dbraw/zinc/98/25/76/1383982576.db2.gz HPYFXRCVGOIAHU-FSZRXZPDSA-N 2 2 349.906 3.074 20 0 EGADLP COC(=O)C1(C)CCC([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001168793920 1384006105 /nfs/dbraw/zinc/00/61/05/1384006105.db2.gz GVMNOGPBCXAQHP-UHFFFAOYSA-N 2 2 341.455 3.426 20 0 EGADLP COC(=O)C1(C)CCC([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001168793920 1384006108 /nfs/dbraw/zinc/00/61/08/1384006108.db2.gz GVMNOGPBCXAQHP-UHFFFAOYSA-N 2 2 341.455 3.426 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168820187 1384018462 /nfs/dbraw/zinc/01/84/62/1384018462.db2.gz YCFUMBYTHYEXID-ULQDDVLXSA-N 2 2 339.524 3.094 20 0 EGADLP Fc1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001307732609 1384021583 /nfs/dbraw/zinc/02/15/83/1384021583.db2.gz CURIPEXNDIDFMC-OAHLLOKOSA-N 2 2 336.794 3.406 20 0 EGADLP Fc1ccc(OCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001307732609 1384021588 /nfs/dbraw/zinc/02/15/88/1384021588.db2.gz CURIPEXNDIDFMC-OAHLLOKOSA-N 2 2 336.794 3.406 20 0 EGADLP CCCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966342 1384064688 /nfs/dbraw/zinc/06/46/88/1384064688.db2.gz HGNKBAKCYYNDFJ-GOSISDBHSA-N 3 2 341.584 3.099 20 0 EGADLP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966342 1384064692 /nfs/dbraw/zinc/06/46/92/1384064692.db2.gz HGNKBAKCYYNDFJ-GOSISDBHSA-N 3 2 341.584 3.099 20 0 EGADLP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966342 1384064696 /nfs/dbraw/zinc/06/46/96/1384064696.db2.gz HGNKBAKCYYNDFJ-GOSISDBHSA-N 3 2 341.584 3.099 20 0 EGADLP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966342 1384064702 /nfs/dbraw/zinc/06/47/02/1384064702.db2.gz HGNKBAKCYYNDFJ-GOSISDBHSA-N 3 2 341.584 3.099 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001308091111 1384090492 /nfs/dbraw/zinc/09/04/92/1384090492.db2.gz XLLGDAKCIZOBFK-AWEZNQCLSA-N 2 2 331.847 3.454 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c1 ZINC001308091111 1384090498 /nfs/dbraw/zinc/09/04/98/1384090498.db2.gz XLLGDAKCIZOBFK-AWEZNQCLSA-N 2 2 331.847 3.454 20 0 EGADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)nn2)c1C ZINC001169140350 1384112418 /nfs/dbraw/zinc/11/24/18/1384112418.db2.gz FVAQIKTXOUZRJT-BEFAXECRSA-N 2 2 342.491 3.235 20 0 EGADLP CC[NH+]1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001169244097 1384126723 /nfs/dbraw/zinc/12/67/23/1384126723.db2.gz ANMJZXSLJFCNPC-UHFFFAOYSA-N 2 2 341.421 3.312 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130299 /nfs/dbraw/zinc/13/02/99/1384130299.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130300 /nfs/dbraw/zinc/13/03/00/1384130300.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130301 /nfs/dbraw/zinc/13/03/01/1384130301.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 3 2 341.543 3.315 20 0 EGADLP CC[NH+]1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169268123 1384130302 /nfs/dbraw/zinc/13/03/02/1384130302.db2.gz GXORQVDUSYFIMC-NHCUHLMSSA-N 3 2 341.543 3.315 20 0 EGADLP CC[C@H]1CCC[C@@H](C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001308917656 1384158876 /nfs/dbraw/zinc/15/88/76/1384158876.db2.gz CYQFRHSVFZHGFE-ZWKOTPCHSA-N 2 2 335.536 3.009 20 0 EGADLP CC[C@H]1CCC[C@H](C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1 ZINC001308917655 1384158881 /nfs/dbraw/zinc/15/88/81/1384158881.db2.gz CYQFRHSVFZHGFE-ROUUACIJSA-N 2 2 335.536 3.009 20 0 EGADLP Nc1ccc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)c[nH+]1 ZINC001169608688 1384164248 /nfs/dbraw/zinc/16/42/48/1384164248.db2.gz KTAZDUCFLSJSHM-UHFFFAOYSA-N 2 2 336.317 3.008 20 0 EGADLP CC(C)CCC[C@@H](C)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170084590 1384233119 /nfs/dbraw/zinc/23/31/19/1384233119.db2.gz XUYHKQZWTFWNRR-GOSISDBHSA-N 2 2 347.551 3.337 20 0 EGADLP CC(C)CCC[C@@H](C)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170084590 1384233121 /nfs/dbraw/zinc/23/31/21/1384233121.db2.gz XUYHKQZWTFWNRR-GOSISDBHSA-N 2 2 347.551 3.337 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3OC)CC2)CCO1 ZINC001170171919 1384255099 /nfs/dbraw/zinc/25/50/99/1384255099.db2.gz WNKXCYVJTPNQAA-RTBURBONSA-N 2 2 332.488 3.207 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001170428192 1384316271 /nfs/dbraw/zinc/31/62/71/1384316271.db2.gz FUDCKXIVTQLYEU-OALUTQOASA-N 2 2 338.451 3.122 20 0 EGADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001170428192 1384316275 /nfs/dbraw/zinc/31/62/75/1384316275.db2.gz FUDCKXIVTQLYEU-OALUTQOASA-N 2 2 338.451 3.122 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852883 1384398824 /nfs/dbraw/zinc/39/88/24/1384398824.db2.gz ZDVDVADXDOBIFL-DLBZAZTESA-N 2 2 337.305 3.379 20 0 EGADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170852883 1384398828 /nfs/dbraw/zinc/39/88/28/1384398828.db2.gz ZDVDVADXDOBIFL-DLBZAZTESA-N 2 2 337.305 3.379 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889381 1384406347 /nfs/dbraw/zinc/40/63/47/1384406347.db2.gz NHKHDQYVXYKPSI-JLSDUUJJSA-N 2 2 349.316 3.332 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889381 1384406348 /nfs/dbraw/zinc/40/63/48/1384406348.db2.gz NHKHDQYVXYKPSI-JLSDUUJJSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889381 1384406351 /nfs/dbraw/zinc/40/63/51/1384406351.db2.gz NHKHDQYVXYKPSI-JLSDUUJJSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ccc(Br)cc4C3)C[C@@H]21 ZINC001170889381 1384406357 /nfs/dbraw/zinc/40/63/57/1384406357.db2.gz NHKHDQYVXYKPSI-JLSDUUJJSA-N 2 2 349.316 3.332 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(NCc2ccccc2N2CC[NH2+]CC2)c1 ZINC001171283304 1384485308 /nfs/dbraw/zinc/48/53/08/1384485308.db2.gz AZXLBLPCQMGTQD-UHFFFAOYSA-N 2 2 347.466 3.109 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171326181 1384494970 /nfs/dbraw/zinc/49/49/70/1384494970.db2.gz KQMZFVKOVIWBOE-CQSZACIVSA-N 2 2 333.863 3.425 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171326181 1384494972 /nfs/dbraw/zinc/49/49/72/1384494972.db2.gz KQMZFVKOVIWBOE-CQSZACIVSA-N 2 2 333.863 3.425 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001171410667 1384515530 /nfs/dbraw/zinc/51/55/30/1384515530.db2.gz XHXRQDFWJMNGCM-SJLPKXTDSA-N 2 2 334.508 3.145 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527443 1384551924 /nfs/dbraw/zinc/55/19/24/1384551924.db2.gz NPEXJBLAYMDAIH-AWEZNQCLSA-N 2 2 328.460 3.241 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603851 1384576195 /nfs/dbraw/zinc/57/61/95/1384576195.db2.gz CSRUUAVXAUNCGR-IRXDYDNUSA-N 2 2 348.535 3.146 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605007 1384576788 /nfs/dbraw/zinc/57/67/88/1384576788.db2.gz LRYADWGEHOGYLT-WYIDIVSCSA-N 2 2 346.519 3.066 20 0 EGADLP COC(=O)C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(O)c1 ZINC001171626270 1384584272 /nfs/dbraw/zinc/58/42/72/1384584272.db2.gz WGVBUVCPCHLQNA-KRWDZBQOSA-N 2 2 348.487 3.237 20 0 EGADLP CC[C@H](C[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001171861013 1384663588 /nfs/dbraw/zinc/66/35/88/1384663588.db2.gz WXOAGGOWLNIORK-MAUKXSAKSA-N 2 2 349.519 3.310 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990778 1384707221 /nfs/dbraw/zinc/70/72/21/1384707221.db2.gz OVFBXNOZQZJUTK-HBMCJLEFSA-N 3 2 341.543 3.313 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990778 1384707223 /nfs/dbraw/zinc/70/72/23/1384707223.db2.gz OVFBXNOZQZJUTK-HBMCJLEFSA-N 3 2 341.543 3.313 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990778 1384707224 /nfs/dbraw/zinc/70/72/24/1384707224.db2.gz OVFBXNOZQZJUTK-HBMCJLEFSA-N 3 2 341.543 3.313 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171990778 1384707226 /nfs/dbraw/zinc/70/72/26/1384707226.db2.gz OVFBXNOZQZJUTK-HBMCJLEFSA-N 3 2 341.543 3.313 20 0 EGADLP FCCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172075594 1384719783 /nfs/dbraw/zinc/71/97/83/1384719783.db2.gz SCCHGGHBHYPLLV-AERCQKQUSA-N 2 2 345.506 3.159 20 0 EGADLP FCCN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075594 1384719785 /nfs/dbraw/zinc/71/97/85/1384719785.db2.gz SCCHGGHBHYPLLV-AERCQKQUSA-N 2 2 345.506 3.159 20 0 EGADLP CCN(C1C[NH+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172084697 1384723405 /nfs/dbraw/zinc/72/34/05/1384723405.db2.gz CUMOONRHYUQHLC-PMOLBWCYSA-N 2 2 327.516 3.208 20 0 EGADLP CCN(C1C[NH+](C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172084697 1384723407 /nfs/dbraw/zinc/72/34/07/1384723407.db2.gz CUMOONRHYUQHLC-PMOLBWCYSA-N 2 2 327.516 3.208 20 0 EGADLP CC[N@H+](C1CN(C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172084697 1384723409 /nfs/dbraw/zinc/72/34/09/1384723409.db2.gz CUMOONRHYUQHLC-PMOLBWCYSA-N 2 2 327.516 3.208 20 0 EGADLP CC[N@@H+](C1CN(C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172084697 1384723410 /nfs/dbraw/zinc/72/34/10/1384723410.db2.gz CUMOONRHYUQHLC-PMOLBWCYSA-N 2 2 327.516 3.208 20 0 EGADLP CC[NH+](C1CN(C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172084697 1384723412 /nfs/dbraw/zinc/72/34/12/1384723412.db2.gz CUMOONRHYUQHLC-PMOLBWCYSA-N 2 2 327.516 3.208 20 0 EGADLP CC[NH+](C1CN(C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172084697 1384723414 /nfs/dbraw/zinc/72/34/14/1384723414.db2.gz CUMOONRHYUQHLC-PMOLBWCYSA-N 2 2 327.516 3.208 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103606 1384726873 /nfs/dbraw/zinc/72/68/73/1384726873.db2.gz WFUHTWDTNKGTQY-XSDIEEQYSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001172103606 1384726875 /nfs/dbraw/zinc/72/68/75/1384726875.db2.gz WFUHTWDTNKGTQY-XSDIEEQYSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103606 1384726879 /nfs/dbraw/zinc/72/68/79/1384726879.db2.gz WFUHTWDTNKGTQY-XSDIEEQYSA-N 2 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001172103606 1384726883 /nfs/dbraw/zinc/72/68/83/1384726883.db2.gz WFUHTWDTNKGTQY-XSDIEEQYSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001172103606 1384726885 /nfs/dbraw/zinc/72/68/85/1384726885.db2.gz WFUHTWDTNKGTQY-XSDIEEQYSA-N 2 2 327.516 3.256 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001172103606 1384726888 /nfs/dbraw/zinc/72/68/88/1384726888.db2.gz WFUHTWDTNKGTQY-XSDIEEQYSA-N 2 2 327.516 3.256 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172204380 1384747597 /nfs/dbraw/zinc/74/75/97/1384747597.db2.gz AUWRCOFKVBZEMY-OALUTQOASA-N 2 2 346.540 3.279 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172204380 1384747599 /nfs/dbraw/zinc/74/75/99/1384747599.db2.gz AUWRCOFKVBZEMY-OALUTQOASA-N 2 2 346.540 3.279 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172236288 1384753411 /nfs/dbraw/zinc/75/34/11/1384753411.db2.gz JYDQLEMBWLAUIS-IHWFROFDSA-N 2 2 330.447 3.174 20 0 EGADLP C[N@H+](Cc1ccccc1F)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245981 1384755209 /nfs/dbraw/zinc/75/52/09/1384755209.db2.gz SVDRYWKDMFFNIP-YQQQUEKLSA-N 2 2 330.447 3.208 20 0 EGADLP C[N@@H+](Cc1ccccc1F)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172245981 1384755215 /nfs/dbraw/zinc/75/52/15/1384755215.db2.gz SVDRYWKDMFFNIP-YQQQUEKLSA-N 2 2 330.447 3.208 20 0 EGADLP COCCC[NH+]1CCC([NH2+]C(C)(C)c2cc(F)cc(F)c2)CC1 ZINC001172246916 1384756005 /nfs/dbraw/zinc/75/60/05/1384756005.db2.gz ZZWHJRZXUTXEPY-UHFFFAOYSA-N 2 2 326.431 3.290 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172779599 1384850447 /nfs/dbraw/zinc/85/04/47/1384850447.db2.gz GSVCSGDODCAYCQ-ZJPYXAASSA-N 2 2 345.487 3.280 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001172794079 1384853753 /nfs/dbraw/zinc/85/37/53/1384853753.db2.gz FEGSMTUXMQDPBQ-CVEARBPZSA-N 2 2 332.444 3.047 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804014 1384855711 /nfs/dbraw/zinc/85/57/11/1384855711.db2.gz RRXBPUUJUUUWSU-WMZOPIPTSA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804014 1384855709 /nfs/dbraw/zinc/85/57/09/1384855709.db2.gz RRXBPUUJUUUWSU-WMZOPIPTSA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)[C@H]1CCC[C@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804240 1384855808 /nfs/dbraw/zinc/85/58/08/1384855808.db2.gz TWXDFGMSXDXVSC-IRXDYDNUSA-N 2 2 345.487 3.070 20 0 EGADLP CO[C@@H]1CCC[C@H]([N@@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938973 1384884264 /nfs/dbraw/zinc/88/42/64/1384884264.db2.gz SCYGATFNRCETMF-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@H]([N@H+]2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938973 1384884268 /nfs/dbraw/zinc/88/42/68/1384884268.db2.gz SCYGATFNRCETMF-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@H]([NH+]2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938973 1384884273 /nfs/dbraw/zinc/88/42/73/1384884273.db2.gz SCYGATFNRCETMF-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP CO[C@@H]1CCC[C@H]([NH+]2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)C1 ZINC001172938973 1384884279 /nfs/dbraw/zinc/88/42/79/1384884279.db2.gz SCYGATFNRCETMF-XYJFISCASA-N 2 2 334.508 3.058 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172960228 1384890393 /nfs/dbraw/zinc/89/03/93/1384890393.db2.gz TUUFMBDHXPVHAW-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172960228 1384890394 /nfs/dbraw/zinc/89/03/94/1384890394.db2.gz TUUFMBDHXPVHAW-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP COc1cccc2c1C[C@@H](n1c[nH+]cc1-c1cccc(C[NH3+])c1)CO2 ZINC001173162011 1384927381 /nfs/dbraw/zinc/92/73/81/1384927381.db2.gz TXBQVFOCEPQXJG-MRXNPFEDSA-N 2 2 335.407 3.194 20 0 EGADLP CC[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001173280476 1384950508 /nfs/dbraw/zinc/95/05/08/1384950508.db2.gz UAKOKRMKCXMHOT-FGTMMUONSA-N 2 2 329.488 3.378 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)s1 ZINC001317247482 1385020380 /nfs/dbraw/zinc/02/03/80/1385020380.db2.gz QGIBMZXYIGROOU-LLVKDONJSA-N 2 2 342.468 3.149 20 0 EGADLP Cc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001174445870 1385110073 /nfs/dbraw/zinc/11/00/73/1385110073.db2.gz TXCFJKKPOSXDGT-UHFFFAOYSA-N 2 2 349.438 3.152 20 0 EGADLP C[C@H](CCCC[NH2+][C@H](C)c1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001174581604 1385122248 /nfs/dbraw/zinc/12/22/48/1385122248.db2.gz VAEBEKFBTHXPHY-QZTJIDSGSA-N 2 2 342.487 3.299 20 0 EGADLP Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001174581599 1385122407 /nfs/dbraw/zinc/12/24/07/1385122407.db2.gz UWWMQAHDIYYGIV-GOSISDBHSA-N 2 2 342.487 3.046 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175501936 1385312869 /nfs/dbraw/zinc/31/28/69/1385312869.db2.gz HRFCWGDRSNSTKR-CVEARBPZSA-N 2 2 348.516 3.361 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638673 1385359130 /nfs/dbraw/zinc/35/91/30/1385359130.db2.gz SFNMDFXPPPSXRN-DLBZAZTESA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638673 1385359141 /nfs/dbraw/zinc/35/91/41/1385359141.db2.gz SFNMDFXPPPSXRN-DLBZAZTESA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993715 1385455273 /nfs/dbraw/zinc/45/52/73/1385455273.db2.gz WJIAMBVXPRPCCX-INIZCTEOSA-N 2 2 328.460 3.159 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001176809580 1385709444 /nfs/dbraw/zinc/70/94/44/1385709444.db2.gz BYBGFAYCTUQFIY-GOSISDBHSA-N 2 2 342.487 3.128 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001176809951 1385710230 /nfs/dbraw/zinc/71/02/30/1385710230.db2.gz GJDZMJOSJUJKME-GOSISDBHSA-N 2 2 346.519 3.428 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001176828850 1385715113 /nfs/dbraw/zinc/71/51/13/1385715113.db2.gz FYCKRSNRVPCJKO-HOTGVXAUSA-N 2 2 346.450 3.048 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc(C)c(C)c1 ZINC001318541368 1385744627 /nfs/dbraw/zinc/74/46/27/1385744627.db2.gz LDUXEXCKJPIZGT-UHFFFAOYSA-N 2 2 336.395 3.210 20 0 EGADLP CCSc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cn1 ZINC001318593637 1385778424 /nfs/dbraw/zinc/77/84/24/1385778424.db2.gz PLCLXSANTFSXAI-UHFFFAOYSA-N 2 2 339.424 3.335 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(CCC[NH2+]CCC(C)C)CC1CCCC1 ZINC001177469151 1385968558 /nfs/dbraw/zinc/96/85/58/1385968558.db2.gz XCRVDQPXMXKUDS-UHFFFAOYSA-N 2 2 348.535 3.305 20 0 EGADLP COc1cc(OC)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1F ZINC001177491764 1385977041 /nfs/dbraw/zinc/97/70/41/1385977041.db2.gz FPKVGXKSSGUYFU-UHFFFAOYSA-N 2 2 341.386 3.318 20 0 EGADLP COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1C ZINC001319608536 1386208143 /nfs/dbraw/zinc/20/81/43/1386208143.db2.gz RBDZAXNZVQDOCH-OAHLLOKOSA-N 2 2 343.427 3.155 20 0 EGADLP COC(=O)c1oc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1C ZINC001319608536 1386208144 /nfs/dbraw/zinc/20/81/44/1386208144.db2.gz RBDZAXNZVQDOCH-OAHLLOKOSA-N 2 2 343.427 3.155 20 0 EGADLP CC1CC(C[NH2+]C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C2CCCCC2)C1 ZINC001319654422 1386235643 /nfs/dbraw/zinc/23/56/43/1386235643.db2.gz FLIRBMMNHGDHIB-RJYAGPCLSA-N 2 2 346.519 3.043 20 0 EGADLP CC1CC(C[NH2+]C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C2CCCCC2)C1 ZINC001319654422 1386235644 /nfs/dbraw/zinc/23/56/44/1386235644.db2.gz FLIRBMMNHGDHIB-RJYAGPCLSA-N 2 2 346.519 3.043 20 0 EGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001178704483 1386283917 /nfs/dbraw/zinc/28/39/17/1386283917.db2.gz WBFFXJFYRWCHJN-WMZOPIPTSA-N 2 2 342.487 3.416 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([C@H](C)[NH2+]CC(C)C)C3)ccn12 ZINC001319804963 1386304586 /nfs/dbraw/zinc/30/45/86/1386304586.db2.gz FVKKQSIYWXMCQD-FUHWJXTLSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)CC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178827937 1386320390 /nfs/dbraw/zinc/32/03/90/1386320390.db2.gz PCQCWWSWHLXGPQ-UHFFFAOYSA-N 2 2 330.476 3.489 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001178957166 1386360244 /nfs/dbraw/zinc/36/02/44/1386360244.db2.gz PDVXOWQZJDRWHY-OKZBNKHCSA-N 2 2 332.492 3.016 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001179176431 1386418923 /nfs/dbraw/zinc/41/89/23/1386418923.db2.gz XOCPEUVEPVEZBT-UHFFFAOYSA-N 2 2 342.487 3.048 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001179692829 1386556017 /nfs/dbraw/zinc/55/60/17/1386556017.db2.gz OITNSFUGNUHTEC-OAHLLOKOSA-N 2 2 346.450 3.119 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776872 1386581410 /nfs/dbraw/zinc/58/14/10/1386581410.db2.gz LJFDIAJOROWSOJ-QGZVFWFLSA-N 2 2 342.487 3.055 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179776872 1386581419 /nfs/dbraw/zinc/58/14/19/1386581419.db2.gz LJFDIAJOROWSOJ-QGZVFWFLSA-N 2 2 342.487 3.055 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]Cc1ccccc1C ZINC001180159081 1386716801 /nfs/dbraw/zinc/71/68/01/1386716801.db2.gz XTTPDDFCXOJCQV-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1 ZINC001180452167 1386801147 /nfs/dbraw/zinc/80/11/47/1386801147.db2.gz OISCEADKHGKNLL-ARJAWSKDSA-N 2 2 334.508 3.286 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001322217006 1387105656 /nfs/dbraw/zinc/10/56/56/1387105656.db2.gz BNENYEDKIHAWID-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001322217006 1387105658 /nfs/dbraw/zinc/10/56/58/1387105658.db2.gz BNENYEDKIHAWID-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182580135 1387190429 /nfs/dbraw/zinc/19/04/29/1387190429.db2.gz VUUZPKNBWLCNBM-JXXFODFXSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(CCCC[NH+]1CCCC1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001336056386 1389002451 /nfs/dbraw/zinc/00/24/51/1389002451.db2.gz VWQNJFWEHRTSIG-GOSISDBHSA-N 2 2 349.906 3.079 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC001329426995 1389106853 /nfs/dbraw/zinc/10/68/53/1389106853.db2.gz IMLUAHIBWTUBSB-UHFFFAOYSA-N 2 2 348.560 3.406 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)ccn12 ZINC001329883725 1389245340 /nfs/dbraw/zinc/24/53/40/1389245340.db2.gz HFTBFYRSTNWZGG-UHFFFAOYSA-N 2 2 334.423 3.491 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\c1ccc(Cl)nc1 ZINC001330317604 1389386276 /nfs/dbraw/zinc/38/62/76/1389386276.db2.gz FELPNMSKBIIOQI-HYXAFXHYSA-N 2 2 339.786 3.276 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCC(=O)Nc1ccccc1F ZINC001338447971 1389686074 /nfs/dbraw/zinc/68/60/74/1389686074.db2.gz GJXTWBXGBBXDAZ-MRXNPFEDSA-N 2 2 332.423 3.055 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C[C@@H](C)[NH2+]CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001331520009 1389781561 /nfs/dbraw/zinc/78/15/61/1389781561.db2.gz YMHIVYBZQSJCPW-CYBMUJFWSA-N 2 2 339.430 3.102 20 0 EGADLP Cc1[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)[nH+]c1C ZINC001331914681 1389908763 /nfs/dbraw/zinc/90/87/63/1389908763.db2.gz HRSHELZUFUWHCB-SFHVURJKSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)[nH+]c1C ZINC001331914681 1389908764 /nfs/dbraw/zinc/90/87/64/1389908764.db2.gz HRSHELZUFUWHCB-SFHVURJKSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1cc(F)c(F)cc1F ZINC001333721050 1390383411 /nfs/dbraw/zinc/38/34/11/1390383411.db2.gz CNJBFRBSXLKMMB-UHFFFAOYSA-N 2 2 346.312 3.174 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629115 1390511871 /nfs/dbraw/zinc/51/18/71/1390511871.db2.gz AYCWKUOYHFXJTC-OCCSQVGLSA-N 2 2 338.521 3.077 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]([NH3+])C(C)(C)C)n2)C1 ZINC001341629115 1390511873 /nfs/dbraw/zinc/51/18/73/1390511873.db2.gz AYCWKUOYHFXJTC-OCCSQVGLSA-N 2 2 338.521 3.077 20 0 EGADLP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001353158509 1391946979 /nfs/dbraw/zinc/94/69/79/1391946979.db2.gz KXSXQEWPSAAQOD-KRWDZBQOSA-N 2 2 347.846 3.049 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001698874479 1406597293 /nfs/dbraw/zinc/59/72/93/1406597293.db2.gz UPYQLWYSCFOQBK-APWZRJJASA-N 2 2 342.487 3.142 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001698874482 1406597300 /nfs/dbraw/zinc/59/73/00/1406597300.db2.gz UPYQLWYSCFOQBK-VQIMIIECSA-N 2 2 342.487 3.142 20 0 EGADLP CC(C)C[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001481368708 1394208743 /nfs/dbraw/zinc/20/87/43/1394208743.db2.gz MGUAOVPNLJLJCC-QGZVFWFLSA-N 2 2 336.439 3.051 20 0 EGADLP CCC(CC)C[N@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001481519245 1394369826 /nfs/dbraw/zinc/36/98/26/1394369826.db2.gz YIODNCZDPLGMNX-QGZVFWFLSA-N 2 2 348.535 3.441 20 0 EGADLP CCC(CC)C[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001481519245 1394369829 /nfs/dbraw/zinc/36/98/29/1394369829.db2.gz YIODNCZDPLGMNX-QGZVFWFLSA-N 2 2 348.535 3.441 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001482299720 1394876612 /nfs/dbraw/zinc/87/66/12/1394876612.db2.gz SUWPQGDZEZNXSE-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491967031 1396301619 /nfs/dbraw/zinc/30/16/19/1396301619.db2.gz LOWHRNAAWMPJMQ-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491967031 1396301620 /nfs/dbraw/zinc/30/16/20/1396301620.db2.gz LOWHRNAAWMPJMQ-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CC[C@@H](C(=O)NC1C[NH+]([C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001494453989 1396448172 /nfs/dbraw/zinc/44/81/72/1396448172.db2.gz WSXACFUATYNXAR-BEFAXECRSA-N 2 2 331.504 3.012 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CC[C@H](C)O1 ZINC001691187610 1405125482 /nfs/dbraw/zinc/12/54/82/1405125482.db2.gz ODJJHXRQDKGYOE-FUHWJXTLSA-N 2 2 347.503 3.016 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CC[C@H](C)O1 ZINC001691187610 1405125486 /nfs/dbraw/zinc/12/54/86/1405125486.db2.gz ODJJHXRQDKGYOE-FUHWJXTLSA-N 2 2 347.503 3.016 20 0 EGADLP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972149 1405687641 /nfs/dbraw/zinc/68/76/41/1405687641.db2.gz LXZLBWSJYHSFIW-KSSFIOAISA-N 2 2 331.504 3.447 20 0 EGADLP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972149 1405687643 /nfs/dbraw/zinc/68/76/43/1405687643.db2.gz LXZLBWSJYHSFIW-KSSFIOAISA-N 2 2 331.504 3.447 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396004 1428563191 /nfs/dbraw/zinc/56/31/91/1428563191.db2.gz FFFDCNVGFASLQN-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001732396004 1428563193 /nfs/dbraw/zinc/56/31/93/1428563193.db2.gz FFFDCNVGFASLQN-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001700190454 1413619074 /nfs/dbraw/zinc/61/90/74/1413619074.db2.gz COKXBOMZZPDUAT-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001700190454 1413619075 /nfs/dbraw/zinc/61/90/75/1413619075.db2.gz COKXBOMZZPDUAT-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001700190454 1413619079 /nfs/dbraw/zinc/61/90/79/1413619079.db2.gz COKXBOMZZPDUAT-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001700190454 1413619082 /nfs/dbraw/zinc/61/90/82/1413619082.db2.gz COKXBOMZZPDUAT-HNNXBMFYSA-N 2 2 346.450 3.023 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H]2CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713507179 1418230128 /nfs/dbraw/zinc/23/01/28/1418230128.db2.gz KASMWEJPADZIDX-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@H]2CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001713507179 1418230131 /nfs/dbraw/zinc/23/01/31/1418230131.db2.gz KASMWEJPADZIDX-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H]2CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713507179 1418230134 /nfs/dbraw/zinc/23/01/34/1418230134.db2.gz KASMWEJPADZIDX-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@H]2CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001713507179 1418230137 /nfs/dbraw/zinc/23/01/37/1418230137.db2.gz KASMWEJPADZIDX-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CCCCO1 ZINC001713548270 1418322333 /nfs/dbraw/zinc/32/23/33/1418322333.db2.gz AWEJHGFZFDUECM-GOSISDBHSA-N 2 2 347.503 3.018 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CCCCO1 ZINC001713548270 1418322337 /nfs/dbraw/zinc/32/23/37/1418322337.db2.gz AWEJHGFZFDUECM-GOSISDBHSA-N 2 2 347.503 3.018 20 0 EGADLP C[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001713765085 1418577339 /nfs/dbraw/zinc/57/73/39/1418577339.db2.gz AYXQLJZRJOZCJW-UHFFFAOYSA-N 2 2 348.535 3.270 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001713765085 1418577340 /nfs/dbraw/zinc/57/73/40/1418577340.db2.gz AYXQLJZRJOZCJW-UHFFFAOYSA-N 2 2 348.535 3.270 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001714507023 1419233719 /nfs/dbraw/zinc/23/37/19/1419233719.db2.gz NDYHDLADBMQAEQ-INIZCTEOSA-N 2 2 340.471 3.040 20 0 EGADLP C[C@@H]([NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)c1ccccc1)c1ccccc1 ZINC001714841361 1419554101 /nfs/dbraw/zinc/55/41/01/1419554101.db2.gz UDBKLBBJKMRSJI-OXQOHEQNSA-N 2 2 348.450 3.161 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1C ZINC001715065415 1419802551 /nfs/dbraw/zinc/80/25/51/1419802551.db2.gz RMNCEABMGFMKST-QGZVFWFLSA-N 2 2 336.439 3.170 20 0 EGADLP C[C@@](C[NH2+]Cc1ccccc1)(NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001715118598 1419864129 /nfs/dbraw/zinc/86/41/29/1419864129.db2.gz PYXQTQYHAMQLIQ-NRFANRHFSA-N 2 2 348.450 3.023 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001715657725 1420281695 /nfs/dbraw/zinc/28/16/95/1420281695.db2.gz INDGEYHVEPOWTO-LSDHHAIUSA-N 2 2 336.439 3.422 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001715959871 1420426417 /nfs/dbraw/zinc/42/64/17/1420426417.db2.gz YYMPPXIFHDZOSE-HOTGVXAUSA-N 2 2 346.450 3.125 20 0 EGADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1)n1cc[nH+]c1 ZINC001715959871 1420426420 /nfs/dbraw/zinc/42/64/20/1420426420.db2.gz YYMPPXIFHDZOSE-HOTGVXAUSA-N 2 2 346.450 3.125 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001716406968 1420639077 /nfs/dbraw/zinc/63/90/77/1420639077.db2.gz RQGNGULNJHQNKQ-SJORKVTESA-N 2 2 342.487 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1F ZINC001716442533 1420661728 /nfs/dbraw/zinc/66/17/28/1420661728.db2.gz CXJTYOVZHNVDHK-QWHCGFSZSA-N 2 2 340.402 3.171 20 0 EGADLP CC(C)C[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CCCCCC1 ZINC001733279018 1429448482 /nfs/dbraw/zinc/44/84/82/1429448482.db2.gz RBOFCXAVLXQQGW-UHFFFAOYSA-N 2 2 348.535 3.150 20 0 EGADLP CC(C)C[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CCCCCC1 ZINC001733279018 1429448486 /nfs/dbraw/zinc/44/84/86/1429448486.db2.gz RBOFCXAVLXQQGW-UHFFFAOYSA-N 2 2 348.535 3.150 20 0 EGADLP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001716974786 1421058793 /nfs/dbraw/zinc/05/87/93/1421058793.db2.gz FLLAVXOCULIRTL-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCCC1 ZINC001724999174 1425407766 /nfs/dbraw/zinc/40/77/66/1425407766.db2.gz BYKODNKYSMUEGR-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCCC1CCCC1 ZINC001724999174 1425407767 /nfs/dbraw/zinc/40/77/67/1425407767.db2.gz BYKODNKYSMUEGR-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001725777242 1426461157 /nfs/dbraw/zinc/46/11/57/1426461157.db2.gz DEOOMYHFPOACJL-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001725777242 1426461160 /nfs/dbraw/zinc/46/11/60/1426461160.db2.gz DEOOMYHFPOACJL-UHFFFAOYSA-N 2 2 346.519 3.282 20 0 EGADLP CC(C)[NH2+]CCc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001731706661 1427759975 /nfs/dbraw/zinc/75/99/75/1427759975.db2.gz ZYTQFMKMWUSSKX-UHFFFAOYSA-N 2 2 336.439 3.033 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001731827110 1428032652 /nfs/dbraw/zinc/03/26/52/1428032652.db2.gz KHXIONGJRRZGNE-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H]2CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001731827110 1428032654 /nfs/dbraw/zinc/03/26/54/1428032654.db2.gz KHXIONGJRRZGNE-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001733690128 1429907136 /nfs/dbraw/zinc/90/71/36/1429907136.db2.gz NHBQERXZJJPRLA-BRSBDYLESA-N 2 2 334.508 3.145 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC001734083953 1437870536 /nfs/dbraw/zinc/87/05/36/1437870536.db2.gz WOFHYXZESBOVSQ-SFHVURJKSA-N 2 2 348.535 3.304 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1)c1ccccc1Cl ZINC001734336744 1438058693 /nfs/dbraw/zinc/05/86/93/1438058693.db2.gz JWUQDGLPVOEWLU-LSDHHAIUSA-N 2 2 348.878 3.124 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752330191 1440171107 /nfs/dbraw/zinc/17/11/07/1440171107.db2.gz GTOLHLFIXLWRLF-SLXDBMQSSA-N 2 2 332.492 3.161 20 0 EGADLP CCC/C=C\CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752330191 1440171109 /nfs/dbraw/zinc/17/11/09/1440171109.db2.gz GTOLHLFIXLWRLF-SLXDBMQSSA-N 2 2 332.492 3.161 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706121 1440202477 /nfs/dbraw/zinc/20/24/77/1440202477.db2.gz DMSHRADNOIALPM-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706121 1440202478 /nfs/dbraw/zinc/20/24/78/1440202478.db2.gz DMSHRADNOIALPM-RBUKOAKNSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753201728 1440338378 /nfs/dbraw/zinc/33/83/78/1440338378.db2.gz JFGTXJBDVICNEH-OAHLLOKOSA-N 2 2 336.439 3.294 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001753337844 1440373532 /nfs/dbraw/zinc/37/35/32/1440373532.db2.gz CVTJAZSDRYWBPI-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001753337844 1440373533 /nfs/dbraw/zinc/37/35/33/1440373533.db2.gz CVTJAZSDRYWBPI-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001753602921 1440446924 /nfs/dbraw/zinc/44/69/24/1440446924.db2.gz GZQJJFZSHUKPNU-SFHVURJKSA-N 2 2 346.519 3.339 20 0 EGADLP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001753602921 1440446925 /nfs/dbraw/zinc/44/69/25/1440446925.db2.gz GZQJJFZSHUKPNU-SFHVURJKSA-N 2 2 346.519 3.339 20 0 EGADLP CC1CCC(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001753785790 1440488118 /nfs/dbraw/zinc/48/81/18/1440488118.db2.gz KYSGKHCUQHEEMX-ABHNRTSZSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001753796335 1440489967 /nfs/dbraw/zinc/48/99/67/1440489967.db2.gz JTXFPTNZDDMRFA-FUHWJXTLSA-N 2 2 331.504 3.493 20 0 EGADLP CCN(CC[NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)Cn1cc[nH+]c1 ZINC001754083894 1440539750 /nfs/dbraw/zinc/53/97/50/1440539750.db2.gz SKSMMYCNUPOQIY-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1)n1cc[nH+]c1 ZINC001754285561 1440564058 /nfs/dbraw/zinc/56/40/58/1440564058.db2.gz CIIKYTIBRHNXPY-DLBZAZTESA-N 2 2 334.508 3.289 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001754343408 1440589059 /nfs/dbraw/zinc/58/90/59/1440589059.db2.gz SYNXSQSIKJSMDJ-TZMCWYRMSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001754343408 1440589060 /nfs/dbraw/zinc/58/90/60/1440589060.db2.gz SYNXSQSIKJSMDJ-TZMCWYRMSA-N 2 2 348.878 3.112 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564716 1440634931 /nfs/dbraw/zinc/63/49/31/1440634931.db2.gz HSKPUJPDYSVWKZ-QUCCMNQESA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1)n1cc[nH+]c1 ZINC001754564716 1440634932 /nfs/dbraw/zinc/63/49/32/1440634932.db2.gz HSKPUJPDYSVWKZ-QUCCMNQESA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001754578337 1440638369 /nfs/dbraw/zinc/63/83/69/1440638369.db2.gz CXPRMYCUYQZLOC-IEBWSBKVSA-N 2 2 348.535 3.295 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001754984078 1440722256 /nfs/dbraw/zinc/72/22/56/1440722256.db2.gz VALFEOGNWRCTFH-UHFFFAOYSA-N 2 2 342.487 3.403 20 0 EGADLP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001755026400 1440729004 /nfs/dbraw/zinc/72/90/04/1440729004.db2.gz OLIMZWOFBZXFCN-ACBHZAAOSA-N 2 2 346.519 3.070 20 0 EGADLP CC1CCC(C[N@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001755026400 1440729005 /nfs/dbraw/zinc/72/90/05/1440729005.db2.gz OLIMZWOFBZXFCN-ACBHZAAOSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001755167289 1440767737 /nfs/dbraw/zinc/76/77/37/1440767737.db2.gz MJUVNKPJXWJPNK-ZBFHGGJFSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@H](C)C1 ZINC001755167289 1440767738 /nfs/dbraw/zinc/76/77/38/1440767738.db2.gz MJUVNKPJXWJPNK-ZBFHGGJFSA-N 2 2 334.508 3.056 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001755196427 1440777201 /nfs/dbraw/zinc/77/72/01/1440777201.db2.gz MOJLLHUZBPGJCE-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001755196427 1440777202 /nfs/dbraw/zinc/77/72/02/1440777202.db2.gz MOJLLHUZBPGJCE-QGZVFWFLSA-N 2 2 334.508 3.022 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001755521812 1440865158 /nfs/dbraw/zinc/86/51/58/1440865158.db2.gz JMDBWXRGHJENML-KGLIPLIRSA-N 2 2 346.450 3.035 20 0 EGADLP CC(C)CC[NH2+][C@H](CCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001755550155 1440871693 /nfs/dbraw/zinc/87/16/93/1440871693.db2.gz UHPNJOCUVPHDPD-MRXNPFEDSA-N 2 2 330.476 3.115 20 0 EGADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CCC1CCCCCC1 ZINC001755596121 1440882689 /nfs/dbraw/zinc/88/26/89/1440882689.db2.gz BSHUEKDPUGDGFK-KRWDZBQOSA-N 2 2 348.535 3.150 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755680415 1440895128 /nfs/dbraw/zinc/89/51/28/1440895128.db2.gz GGHZWEVIGPLJEM-GDBMZVCRSA-N 2 2 328.460 3.192 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001755756445 1440914092 /nfs/dbraw/zinc/91/40/92/1440914092.db2.gz DEBYPAQMHCEATM-VCKBAZOKSA-N 2 2 344.503 3.086 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001755756445 1440914093 /nfs/dbraw/zinc/91/40/93/1440914093.db2.gz DEBYPAQMHCEATM-VCKBAZOKSA-N 2 2 344.503 3.086 20 0 EGADLP C[C@]1(C[NH2+]Cc2c[nH]c3nccnc23)CCC[N@@H+]1Cc1ccccc1 ZINC000368229870 168328061 /nfs/dbraw/zinc/32/80/61/168328061.db2.gz XOIKHCNYZRKFJP-HXUWFJFHSA-N 2 2 335.455 3.054 20 0 EGADLP C[C@]1(C[NH2+]Cc2c[nH]c3nccnc23)CCC[N@H+]1Cc1ccccc1 ZINC000368229870 168328064 /nfs/dbraw/zinc/32/80/64/168328064.db2.gz XOIKHCNYZRKFJP-HXUWFJFHSA-N 2 2 335.455 3.054 20 0 EGADLP Brc1cscc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000368508745 168365297 /nfs/dbraw/zinc/36/52/97/168365297.db2.gz UQUYCVSJBICRPC-UHFFFAOYSA-N 2 2 326.263 3.333 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000353011332 282240560 /nfs/dbraw/zinc/24/05/60/282240560.db2.gz WLQFFFSPCCCHRP-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000353011332 282240565 /nfs/dbraw/zinc/24/05/65/282240565.db2.gz WLQFFFSPCCCHRP-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000353011332 282240568 /nfs/dbraw/zinc/24/05/68/282240568.db2.gz WLQFFFSPCCCHRP-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000353011332 282240570 /nfs/dbraw/zinc/24/05/70/282240570.db2.gz WLQFFFSPCCCHRP-DNVCBOLYSA-N 2 2 344.890 3.360 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Br)cn1 ZINC000173961569 529931581 /nfs/dbraw/zinc/93/15/81/529931581.db2.gz ZFADJGQORBTLBO-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(Br)cn1 ZINC000173961569 529931582 /nfs/dbraw/zinc/93/15/82/529931582.db2.gz ZFADJGQORBTLBO-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Br)cn1 ZINC000173961569 529931583 /nfs/dbraw/zinc/93/15/83/529931583.db2.gz ZFADJGQORBTLBO-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Br)cn1 ZINC000173961569 529931584 /nfs/dbraw/zinc/93/15/84/529931584.db2.gz ZFADJGQORBTLBO-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](C)CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000101588700 219143539 /nfs/dbraw/zinc/14/35/39/219143539.db2.gz OKGJZOIKZTXTRQ-UHFFFAOYSA-N 2 2 326.488 3.266 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701892 530058927 /nfs/dbraw/zinc/05/89/27/530058927.db2.gz HGANBXBLADSORD-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701892 530058928 /nfs/dbraw/zinc/05/89/28/530058928.db2.gz HGANBXBLADSORD-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701892 530058929 /nfs/dbraw/zinc/05/89/29/530058929.db2.gz HGANBXBLADSORD-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701892 530058930 /nfs/dbraw/zinc/05/89/30/530058930.db2.gz HGANBXBLADSORD-PBHICJAKSA-N 2 2 328.485 3.121 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1OCc1ccccn1)Cn1cc[nH+]c1 ZINC000067500584 215153949 /nfs/dbraw/zinc/15/39/49/215153949.db2.gz SMONOPSZSNVFHT-QGZVFWFLSA-N 2 2 336.439 3.283 20 0 EGADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000183916038 235259894 /nfs/dbraw/zinc/25/98/94/235259894.db2.gz LCBVMOSKRCFZFZ-HZPDHXFCSA-N 2 2 347.503 3.317 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184226313 235339830 /nfs/dbraw/zinc/33/98/30/235339830.db2.gz LDWCSEDQMIDESK-UHFFFAOYSA-N 2 2 326.444 3.325 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408305 213144738 /nfs/dbraw/zinc/14/47/38/213144738.db2.gz PODFDGPVJQTJJN-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP Fc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408305 213144741 /nfs/dbraw/zinc/14/47/41/213144741.db2.gz PODFDGPVJQTJJN-LLVKDONJSA-N 2 2 327.241 3.162 20 0 EGADLP OCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188010393 236380408 /nfs/dbraw/zinc/38/04/08/236380408.db2.gz QSJOBXOZYVYPND-LPHOPBHVSA-N 2 2 336.907 3.445 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129684121 223080512 /nfs/dbraw/zinc/08/05/12/223080512.db2.gz OQTJAUHWMJDNAQ-WMLDXEAASA-N 2 2 326.444 3.022 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129684121 223080515 /nfs/dbraw/zinc/08/05/15/223080515.db2.gz OQTJAUHWMJDNAQ-WMLDXEAASA-N 2 2 326.444 3.022 20 0 EGADLP COc1ccc(Br)c(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231455044 242267330 /nfs/dbraw/zinc/26/73/30/242267330.db2.gz XZPJXLFDZWDEJW-CYBMUJFWSA-N 2 2 327.266 3.032 20 0 EGADLP COc1ccc(Br)c(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231455044 242267336 /nfs/dbraw/zinc/26/73/36/242267336.db2.gz XZPJXLFDZWDEJW-CYBMUJFWSA-N 2 2 327.266 3.032 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000245695468 243143335 /nfs/dbraw/zinc/14/33/35/243143335.db2.gz BHLNKRBRJZVHNP-BTHPGYMESA-N 2 2 346.540 3.294 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000245695468 243143342 /nfs/dbraw/zinc/14/33/42/243143342.db2.gz BHLNKRBRJZVHNP-BTHPGYMESA-N 2 2 346.540 3.294 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000247197203 243390636 /nfs/dbraw/zinc/39/06/36/243390636.db2.gz OROJBBHMVWERCH-WMLDXEAASA-N 2 2 333.863 3.469 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1 ZINC000247197203 243390642 /nfs/dbraw/zinc/39/06/42/243390642.db2.gz OROJBBHMVWERCH-WMLDXEAASA-N 2 2 333.863 3.469 20 0 EGADLP C[C@@H]1CN(c2ccc(CNc3cc[nH+]c4ccccc34)c[nH+]2)CCO1 ZINC000264656055 246744477 /nfs/dbraw/zinc/74/44/77/246744477.db2.gz QNUXUZUYOVDREQ-OAHLLOKOSA-N 2 2 334.423 3.467 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918288 247042531 /nfs/dbraw/zinc/04/25/31/247042531.db2.gz QIKDYDGNCQDDDR-RBUKOAKNSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264918288 247042534 /nfs/dbraw/zinc/04/25/34/247042534.db2.gz QIKDYDGNCQDDDR-RBUKOAKNSA-N 2 2 337.423 3.231 20 0 EGADLP C[C@H](CNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[NH+](C)C ZINC000265098460 247200132 /nfs/dbraw/zinc/20/01/32/247200132.db2.gz GJQJNTXAMFQDOR-GFCCVEGCSA-N 2 2 333.819 3.207 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153917001 296240038 /nfs/dbraw/zinc/24/00/38/296240038.db2.gz VRZWQFIPLRMONL-KURKYZTESA-N 2 2 333.495 3.377 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(Cl)c1F ZINC000378375497 169110044 /nfs/dbraw/zinc/11/00/44/169110044.db2.gz YMUKPTQCCPWZIK-VNQPRFMTSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(Cl)c1F ZINC000378375497 169110045 /nfs/dbraw/zinc/11/00/45/169110045.db2.gz YMUKPTQCCPWZIK-VNQPRFMTSA-N 2 2 326.843 3.163 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438020 169120230 /nfs/dbraw/zinc/12/02/30/169120230.db2.gz HXMOPGLOGUCRQU-ICSRJNTNSA-N 2 2 338.499 3.373 20 0 EGADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000378438020 169120233 /nfs/dbraw/zinc/12/02/33/169120233.db2.gz HXMOPGLOGUCRQU-ICSRJNTNSA-N 2 2 338.499 3.373 20 0 EGADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000095393922 284703190 /nfs/dbraw/zinc/70/31/90/284703190.db2.gz UGUAMTVGCPHCAI-GOSISDBHSA-N 2 2 338.455 3.373 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148230 223917129 /nfs/dbraw/zinc/91/71/29/223917129.db2.gz MGVJZLNCTPJESI-AUSJPIAWSA-N 2 2 327.472 3.333 20 0 EGADLP Cc1noc(C)c1C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148230 223917130 /nfs/dbraw/zinc/91/71/30/223917130.db2.gz MGVJZLNCTPJESI-AUSJPIAWSA-N 2 2 327.472 3.333 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000267537033 251137079 /nfs/dbraw/zinc/13/70/79/251137079.db2.gz WFQDAFQHDFMDFU-ZBFHGGJFSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000267537033 251137083 /nfs/dbraw/zinc/13/70/83/251137083.db2.gz WFQDAFQHDFMDFU-ZBFHGGJFSA-N 2 2 334.414 3.421 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000268792193 252243785 /nfs/dbraw/zinc/24/37/85/252243785.db2.gz DNBNBRPMOWTJPG-ABAIWWIYSA-N 2 2 325.334 3.447 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268811107 252262765 /nfs/dbraw/zinc/26/27/65/252262765.db2.gz KRJPLUKKJQGCQV-BMIGLBTASA-N 2 2 338.224 3.450 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000268816196 252266888 /nfs/dbraw/zinc/26/68/88/252266888.db2.gz NQXKZQBHAPJXKX-LBPRGKRZSA-N 2 2 344.850 3.085 20 0 EGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268844392 252292234 /nfs/dbraw/zinc/29/22/34/252292234.db2.gz BHOSGQZECKIAOO-CRAIPNDOSA-N 2 2 349.544 3.178 20 0 EGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268844392 252292237 /nfs/dbraw/zinc/29/22/37/252292237.db2.gz BHOSGQZECKIAOO-CRAIPNDOSA-N 2 2 349.544 3.178 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112630835 220361551 /nfs/dbraw/zinc/36/15/51/220361551.db2.gz WLSMLYPZLQFJJN-OAHLLOKOSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112630835 220361553 /nfs/dbraw/zinc/36/15/53/220361553.db2.gz WLSMLYPZLQFJJN-OAHLLOKOSA-N 2 2 337.423 3.088 20 0 EGADLP C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CCC[NH+](C)C1 ZINC000118842972 221194974 /nfs/dbraw/zinc/19/49/74/221194974.db2.gz AVPQIJQWQSWREQ-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CCC[NH+](C)C1 ZINC000118842972 221194977 /nfs/dbraw/zinc/19/49/77/221194977.db2.gz AVPQIJQWQSWREQ-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842972 221194979 /nfs/dbraw/zinc/19/49/79/221194979.db2.gz AVPQIJQWQSWREQ-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[NH+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842972 221194981 /nfs/dbraw/zinc/19/49/81/221194981.db2.gz AVPQIJQWQSWREQ-ZDUSSCGKSA-N 2 2 334.851 3.164 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@@H+]1C1CC1 ZINC000119762541 221394887 /nfs/dbraw/zinc/39/48/87/221394887.db2.gz QKOIRAMJNDUOJP-IUODEOHRSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@H+]1C1CC1 ZINC000119762541 221394890 /nfs/dbraw/zinc/39/48/90/221394890.db2.gz QKOIRAMJNDUOJP-IUODEOHRSA-N 2 2 346.862 3.147 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204328 285369540 /nfs/dbraw/zinc/36/95/40/285369540.db2.gz FCWHJRCHBGSVRJ-PAQOUXTFSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204328 285369541 /nfs/dbraw/zinc/36/95/41/285369541.db2.gz FCWHJRCHBGSVRJ-PAQOUXTFSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204328 285369542 /nfs/dbraw/zinc/36/95/42/285369542.db2.gz FCWHJRCHBGSVRJ-PAQOUXTFSA-N 2 2 349.563 3.361 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204328 285369538 /nfs/dbraw/zinc/36/95/38/285369538.db2.gz FCWHJRCHBGSVRJ-PAQOUXTFSA-N 2 2 349.563 3.361 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Cl)nc1 ZINC000181384538 533339154 /nfs/dbraw/zinc/33/91/54/533339154.db2.gz ZCLCZZCADHLNEN-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832964 533435333 /nfs/dbraw/zinc/43/53/33/533435333.db2.gz XRHJDPSLXVHXHS-XLIONFOSSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccnc1 ZINC000191832964 533435340 /nfs/dbraw/zinc/43/53/40/533435340.db2.gz XRHJDPSLXVHXHS-XLIONFOSSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@@H+]1C ZINC000164323087 533655792 /nfs/dbraw/zinc/65/57/92/533655792.db2.gz GFQZEYBPIYHNRE-MJGOQNOKSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)CC[N@H+]1C ZINC000164323087 533655799 /nfs/dbraw/zinc/65/57/99/533655799.db2.gz GFQZEYBPIYHNRE-MJGOQNOKSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000124264346 140919356 /nfs/dbraw/zinc/91/93/56/140919356.db2.gz KMGAUBQLDKVFDS-HNNXBMFYSA-N 2 2 331.485 3.011 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1CCC[NH2+]C1 ZINC000237585453 141009416 /nfs/dbraw/zinc/00/94/16/141009416.db2.gz PSRIMLPDZJNIST-GDBMZVCRSA-N 2 2 326.444 3.051 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246920834 141044074 /nfs/dbraw/zinc/04/40/74/141044074.db2.gz MUDNUOCBVXTYDF-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000246920834 141044076 /nfs/dbraw/zinc/04/40/76/141044076.db2.gz MUDNUOCBVXTYDF-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000246920834 141044078 /nfs/dbraw/zinc/04/40/78/141044078.db2.gz MUDNUOCBVXTYDF-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000246920834 141044080 /nfs/dbraw/zinc/04/40/80/141044080.db2.gz MUDNUOCBVXTYDF-SCTDSRPQSA-N 2 2 345.531 3.088 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000342791787 141147835 /nfs/dbraw/zinc/14/78/35/141147835.db2.gz UNIAEMOWDLQQQM-UHFFFAOYSA-N 2 2 342.487 3.220 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000346268235 141188699 /nfs/dbraw/zinc/18/86/99/141188699.db2.gz CFUWCDYNHHGONP-GOEBONIOSA-N 2 2 336.439 3.058 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000346275330 141189932 /nfs/dbraw/zinc/18/99/32/141189932.db2.gz JQKJRHJCZZNKIM-FKSLSLAPSA-N 2 2 346.519 3.067 20 0 EGADLP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000346275330 141189933 /nfs/dbraw/zinc/18/99/33/141189933.db2.gz JQKJRHJCZZNKIM-FKSLSLAPSA-N 2 2 346.519 3.067 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346481119 141203710 /nfs/dbraw/zinc/20/37/10/141203710.db2.gz YVNYSMQFNZOUCG-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000346481119 141203712 /nfs/dbraw/zinc/20/37/12/141203712.db2.gz YVNYSMQFNZOUCG-FUHWJXTLSA-N 2 2 339.439 3.179 20 0 EGADLP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C1CC[NH+](CCO)CC1 ZINC000353346105 141291966 /nfs/dbraw/zinc/29/19/66/141291966.db2.gz AKPJCFFIHSQALK-UHFFFAOYSA-N 2 2 340.467 3.367 20 0 EGADLP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)C1CC[NH+](CCO)CC1 ZINC000353346105 141291967 /nfs/dbraw/zinc/29/19/67/141291967.db2.gz AKPJCFFIHSQALK-UHFFFAOYSA-N 2 2 340.467 3.367 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c[nH+]1 ZINC000353457635 141300688 /nfs/dbraw/zinc/30/06/88/141300688.db2.gz HEBURDLTMYHMBV-UHFFFAOYSA-N 2 2 343.515 3.484 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cc2n1C ZINC000354606254 141313918 /nfs/dbraw/zinc/31/39/18/141313918.db2.gz ZUMTVWVDVANIJH-OAHLLOKOSA-N 2 2 342.487 3.124 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)cc2n1C ZINC000354606254 141313919 /nfs/dbraw/zinc/31/39/19/141313919.db2.gz ZUMTVWVDVANIJH-OAHLLOKOSA-N 2 2 342.487 3.124 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000359616436 141386631 /nfs/dbraw/zinc/38/66/31/141386631.db2.gz GIAVXPUDRZEJLF-INIZCTEOSA-N 2 2 327.476 3.102 20 0 EGADLP CCCCC[C@H](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929539 144031537 /nfs/dbraw/zinc/03/15/37/144031537.db2.gz XXFABMBUBFUVOO-KRWDZBQOSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000178658106 144074357 /nfs/dbraw/zinc/07/43/57/144074357.db2.gz YPNWDZTVNPNCGN-MRXNPFEDSA-N 2 2 326.444 3.198 20 0 EGADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186825559 144144068 /nfs/dbraw/zinc/14/40/68/144144068.db2.gz JRXPRLATXJQEKI-WOJBJXKFSA-N 2 2 331.504 3.229 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@@H+]1C ZINC000344621518 144200688 /nfs/dbraw/zinc/20/06/88/144200688.db2.gz GEEGDJYUDVKJGI-OCCSQVGLSA-N 2 2 345.468 3.111 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[N@H+]1C ZINC000344621518 144200690 /nfs/dbraw/zinc/20/06/90/144200690.db2.gz GEEGDJYUDVKJGI-OCCSQVGLSA-N 2 2 345.468 3.111 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391180 144263485 /nfs/dbraw/zinc/26/34/85/144263485.db2.gz XPVLRISQQUEFMT-HNNXBMFYSA-N 2 2 343.298 3.413 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391180 144263486 /nfs/dbraw/zinc/26/34/86/144263486.db2.gz XPVLRISQQUEFMT-HNNXBMFYSA-N 2 2 343.298 3.413 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391180 144263487 /nfs/dbraw/zinc/26/34/87/144263487.db2.gz XPVLRISQQUEFMT-HNNXBMFYSA-N 2 2 343.298 3.413 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)C1CC1 ZINC000351391180 144263488 /nfs/dbraw/zinc/26/34/88/144263488.db2.gz XPVLRISQQUEFMT-HNNXBMFYSA-N 2 2 343.298 3.413 20 0 EGADLP Cc1ccccc1C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351476184 144266035 /nfs/dbraw/zinc/26/60/35/144266035.db2.gz JUVLFGRNMPGGJP-QFIPXVFZSA-N 2 2 338.495 3.452 20 0 EGADLP Cc1ccccc1C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351476184 144266037 /nfs/dbraw/zinc/26/60/37/144266037.db2.gz JUVLFGRNMPGGJP-QFIPXVFZSA-N 2 2 338.495 3.452 20 0 EGADLP Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351476184 144266039 /nfs/dbraw/zinc/26/60/39/144266039.db2.gz JUVLFGRNMPGGJP-QFIPXVFZSA-N 2 2 338.495 3.452 20 0 EGADLP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351476184 144266041 /nfs/dbraw/zinc/26/60/41/144266041.db2.gz JUVLFGRNMPGGJP-QFIPXVFZSA-N 2 2 338.495 3.452 20 0 EGADLP c1csc(-c2n[nH]cc2CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351565636 144280303 /nfs/dbraw/zinc/28/03/03/144280303.db2.gz CNUMZTHKPVAZJV-UHFFFAOYSA-N 2 2 336.424 3.390 20 0 EGADLP Fc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)ccc1OC(F)F ZINC000351566843 144280797 /nfs/dbraw/zinc/28/07/97/144280797.db2.gz IXYATOKUNHPVBG-UHFFFAOYSA-N 2 2 348.328 3.101 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000351751011 144301698 /nfs/dbraw/zinc/30/16/98/144301698.db2.gz DWRLEXXDRIDQDI-QGZVFWFLSA-N 2 2 344.528 3.314 20 0 EGADLP CSCC[C@@H](C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351881208 144319936 /nfs/dbraw/zinc/31/99/36/144319936.db2.gz LSGYQCHTWMSRDG-GOSISDBHSA-N 2 2 335.561 3.272 20 0 EGADLP CSCC[C@@H](C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351881208 144319938 /nfs/dbraw/zinc/31/99/38/144319938.db2.gz LSGYQCHTWMSRDG-GOSISDBHSA-N 2 2 335.561 3.272 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)CCC2 ZINC000361665006 144346821 /nfs/dbraw/zinc/34/68/21/144346821.db2.gz SVMVJAUTHIQCCL-UBMNLSNXSA-N 2 2 331.485 3.157 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000363940072 144378374 /nfs/dbraw/zinc/37/83/74/144378374.db2.gz RUMWOMWZQJZHCD-YLJYHZDGSA-N 2 2 349.482 3.481 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(-c3ccccn3)n1)CCC2 ZINC000371074004 144483376 /nfs/dbraw/zinc/48/33/76/144483376.db2.gz MNPOLDDEUQITCV-AWEZNQCLSA-N 2 2 339.468 3.377 20 0 EGADLP Cc1c[nH+]c(CNc2cc(C)cc(N3CC[NH+](C(C)C)CC3)c2)n1C ZINC000341378388 155258849 /nfs/dbraw/zinc/25/88/49/155258849.db2.gz ZBTYLBXDXJEGPU-UHFFFAOYSA-N 2 2 341.503 3.179 20 0 EGADLP Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1Oc1cc[nH+]cc1 ZINC000115333850 152008894 /nfs/dbraw/zinc/00/88/94/152008894.db2.gz BHWYIDCEMPOOTO-UHFFFAOYSA-N 2 2 339.439 3.398 20 0 EGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117764928 152115436 /nfs/dbraw/zinc/11/54/36/152115436.db2.gz SMURYRWPINACAT-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117764928 152115441 /nfs/dbraw/zinc/11/54/41/152115441.db2.gz SMURYRWPINACAT-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000117970486 152123325 /nfs/dbraw/zinc/12/33/25/152123325.db2.gz AYTQULPZDVDKHQ-INIZCTEOSA-N 2 2 346.434 3.258 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000117970486 152123327 /nfs/dbraw/zinc/12/33/27/152123327.db2.gz AYTQULPZDVDKHQ-INIZCTEOSA-N 2 2 346.434 3.258 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000119919669 152238705 /nfs/dbraw/zinc/23/87/05/152238705.db2.gz PCNMNCWDWLIRRX-QLFBSQMISA-N 2 2 337.533 3.172 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000119919669 152238707 /nfs/dbraw/zinc/23/87/07/152238707.db2.gz PCNMNCWDWLIRRX-QLFBSQMISA-N 2 2 337.533 3.172 20 0 EGADLP COc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341594489 155374823 /nfs/dbraw/zinc/37/48/23/155374823.db2.gz PCCYOJFOKOPMTJ-MRXNPFEDSA-N 2 2 334.504 3.105 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000305181462 154088829 /nfs/dbraw/zinc/08/88/29/154088829.db2.gz WHVFVCKBOSFDBZ-FDPIWHGQSA-N 2 2 332.488 3.261 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000310141301 154138376 /nfs/dbraw/zinc/13/83/76/154138376.db2.gz CIAYWANSLVHPER-APWZRJJASA-N 2 2 326.488 3.391 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000310141301 154138383 /nfs/dbraw/zinc/13/83/83/154138383.db2.gz CIAYWANSLVHPER-APWZRJJASA-N 2 2 326.488 3.391 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310079826 154138523 /nfs/dbraw/zinc/13/85/23/154138523.db2.gz ILDDIMOLGLEIET-OAQYLSRUSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310079826 154138527 /nfs/dbraw/zinc/13/85/27/154138527.db2.gz ILDDIMOLGLEIET-OAQYLSRUSA-N 3 2 329.532 3.361 20 0 EGADLP Brc1c[nH+]ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000340031567 155073879 /nfs/dbraw/zinc/07/38/79/155073879.db2.gz UKOKODOAWWTWLI-UHFFFAOYSA-N 2 2 329.201 3.064 20 0 EGADLP Cc1ccc(N2CCC([NH2+]Cc3cn4cc(C)ccc4n3)CC2)[nH+]c1 ZINC000341014061 155124515 /nfs/dbraw/zinc/12/45/15/155124515.db2.gz QRJWFQLYOIHORL-UHFFFAOYSA-N 2 2 335.455 3.105 20 0 EGADLP CN1CC[NH+](CC2(C)CC[NH+](CCCc3ccsc3)CC2)CC1 ZINC000348850897 156262412 /nfs/dbraw/zinc/26/24/12/156262412.db2.gz WITVACVLVCGKLX-UHFFFAOYSA-N 2 2 335.561 3.030 20 0 EGADLP Cc1cccn2c(CN(CC[NH+](C)C)Cc3ccc(F)cc3)c[nH+]c12 ZINC000349061334 156338759 /nfs/dbraw/zinc/33/87/59/156338759.db2.gz IXURICGUELGSTB-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC000372469000 157339194 /nfs/dbraw/zinc/33/91/94/157339194.db2.gz QBOHIIRIONOXDO-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C2)CC1 ZINC000372469000 157339197 /nfs/dbraw/zinc/33/91/97/157339197.db2.gz QBOHIIRIONOXDO-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000093564174 162015794 /nfs/dbraw/zinc/01/57/94/162015794.db2.gz COOJFTYKXXBGBO-LJQANCHMSA-N 2 2 342.462 3.462 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000093564174 162015797 /nfs/dbraw/zinc/01/57/97/162015797.db2.gz COOJFTYKXXBGBO-LJQANCHMSA-N 2 2 342.462 3.462 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753152 162026397 /nfs/dbraw/zinc/02/63/97/162026397.db2.gz IBNDGDOROOCSTD-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753152 162026400 /nfs/dbraw/zinc/02/64/00/162026400.db2.gz IBNDGDOROOCSTD-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753152 162026405 /nfs/dbraw/zinc/02/64/05/162026405.db2.gz IBNDGDOROOCSTD-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000093753152 162026409 /nfs/dbraw/zinc/02/64/09/162026409.db2.gz IBNDGDOROOCSTD-INIZCTEOSA-N 2 2 330.451 3.175 20 0 EGADLP CC(C)c1nc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc[nH+]1 ZINC000110280001 162123216 /nfs/dbraw/zinc/12/32/16/162123216.db2.gz XMQVHIBIXFZEEM-MRXNPFEDSA-N 2 2 340.471 3.433 20 0 EGADLP CC(C)c1nc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc[nH+]1 ZINC000110280001 162123218 /nfs/dbraw/zinc/12/32/18/162123218.db2.gz XMQVHIBIXFZEEM-MRXNPFEDSA-N 2 2 340.471 3.433 20 0 EGADLP CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112632300 162184222 /nfs/dbraw/zinc/18/42/22/162184222.db2.gz WRMVAJXTYGJCOR-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112632300 162184226 /nfs/dbraw/zinc/18/42/26/162184226.db2.gz WRMVAJXTYGJCOR-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP Cc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000125864540 162290002 /nfs/dbraw/zinc/29/00/02/162290002.db2.gz VMWCGDUHGAIMJD-SFHVURJKSA-N 2 2 339.483 3.412 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000344041039 164089368 /nfs/dbraw/zinc/08/93/68/164089368.db2.gz JFLVNCOYYVZLEW-NBMJBFSESA-N 2 2 332.488 3.074 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000344041039 164089369 /nfs/dbraw/zinc/08/93/69/164089369.db2.gz JFLVNCOYYVZLEW-NBMJBFSESA-N 2 2 332.488 3.074 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1 ZINC000346581859 164401853 /nfs/dbraw/zinc/40/18/53/164401853.db2.gz VIOOKLMDPCHBIC-IAOVAPTHSA-N 2 2 337.533 3.295 20 0 EGADLP C[N@@H+](Cc1ccccc1OCc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000351589041 165102056 /nfs/dbraw/zinc/10/20/56/165102056.db2.gz LNYLVJIBMZURJR-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccccc1OCc1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000351589041 165102058 /nfs/dbraw/zinc/10/20/58/165102058.db2.gz LNYLVJIBMZURJR-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000351589041 165102060 /nfs/dbraw/zinc/10/20/60/165102060.db2.gz LNYLVJIBMZURJR-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000351589041 165102061 /nfs/dbraw/zinc/10/20/61/165102061.db2.gz LNYLVJIBMZURJR-IBGZPJMESA-N 2 2 339.483 3.434 20 0 EGADLP CCc1ccc([C@H](CNCc2ncc(C[NH+](C)C)s2)[NH+](C)C)cc1 ZINC000352250252 165308566 /nfs/dbraw/zinc/30/85/66/165308566.db2.gz FIHBOUCGVXTWON-SFHVURJKSA-N 2 2 346.544 3.160 20 0 EGADLP CCc1ccc([C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)N(C)C)cc1 ZINC000352250252 165308570 /nfs/dbraw/zinc/30/85/70/165308570.db2.gz FIHBOUCGVXTWON-SFHVURJKSA-N 2 2 346.544 3.160 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000355215640 166136532 /nfs/dbraw/zinc/13/65/32/166136532.db2.gz DCYGEEUVUGXKFV-UHFFFAOYSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1cc(N(C)CC[NH+](C(C)C)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000355580339 166250456 /nfs/dbraw/zinc/25/04/56/166250456.db2.gz YNBTZIUQIIWTSP-UHFFFAOYSA-N 2 2 327.476 3.402 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000355681516 166282329 /nfs/dbraw/zinc/28/23/29/166282329.db2.gz ZYBHOQBRVXDDSY-MRXNPFEDSA-N 2 2 330.428 3.272 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359058876 167054453 /nfs/dbraw/zinc/05/44/53/167054453.db2.gz ONGYAYKMRYNNIM-ZWKOTPCHSA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000359058876 167054456 /nfs/dbraw/zinc/05/44/56/167054456.db2.gz ONGYAYKMRYNNIM-ZWKOTPCHSA-N 2 2 328.456 3.047 20 0 EGADLP COc1cc[nH+]c(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000359137467 167077980 /nfs/dbraw/zinc/07/79/80/167077980.db2.gz VKAMTJHHALMURJ-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc[nH+]c(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000359137467 167077984 /nfs/dbraw/zinc/07/79/84/167077984.db2.gz VKAMTJHHALMURJ-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000359744311 167221110 /nfs/dbraw/zinc/22/11/10/167221110.db2.gz AKQPZCGJPJAPSO-FQEVSTJZSA-N 2 2 338.499 3.292 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000359744311 167221113 /nfs/dbraw/zinc/22/11/13/167221113.db2.gz AKQPZCGJPJAPSO-FQEVSTJZSA-N 2 2 338.499 3.292 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000360219620 167274547 /nfs/dbraw/zinc/27/45/47/167274547.db2.gz VOUQCXLGLKAGOV-KRWDZBQOSA-N 2 2 340.471 3.175 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000360219620 167274550 /nfs/dbraw/zinc/27/45/50/167274550.db2.gz VOUQCXLGLKAGOV-KRWDZBQOSA-N 2 2 340.471 3.175 20 0 EGADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N(c1ccccc1)C1CCCCC1 ZINC000360547543 167355279 /nfs/dbraw/zinc/35/52/79/167355279.db2.gz QTUYYZVBHYEGDC-OAQYLSRUSA-N 2 2 341.499 3.038 20 0 EGADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N(c1ccccc1)C1CCCCC1 ZINC000360547543 167355280 /nfs/dbraw/zinc/35/52/80/167355280.db2.gz QTUYYZVBHYEGDC-OAQYLSRUSA-N 2 2 341.499 3.038 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000365102276 168021299 /nfs/dbraw/zinc/02/12/99/168021299.db2.gz VVAFIOBFCSVJAS-QGZVFWFLSA-N 2 2 333.524 3.165 20 0 EGADLP CCCn1ncnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000365102276 168021300 /nfs/dbraw/zinc/02/13/00/168021300.db2.gz VVAFIOBFCSVJAS-QGZVFWFLSA-N 2 2 333.524 3.165 20 0 EGADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441262 168122098 /nfs/dbraw/zinc/12/20/98/168122098.db2.gz FABIFAMQPHICJM-CJNGLKHVSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000366441262 168122099 /nfs/dbraw/zinc/12/20/99/168122099.db2.gz FABIFAMQPHICJM-CJNGLKHVSA-N 2 2 339.361 3.364 20 0 EGADLP c1coc([C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459784 168228210 /nfs/dbraw/zinc/22/82/10/168228210.db2.gz WCWCZROIBKVIHX-UXHICEINSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459784 168228211 /nfs/dbraw/zinc/22/82/11/168228211.db2.gz WCWCZROIBKVIHX-UXHICEINSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459784 168228212 /nfs/dbraw/zinc/22/82/12/168228212.db2.gz WCWCZROIBKVIHX-UXHICEINSA-N 2 2 340.467 3.360 20 0 EGADLP c1coc([C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)c1 ZINC000367459784 168228214 /nfs/dbraw/zinc/22/82/14/168228214.db2.gz WCWCZROIBKVIHX-UXHICEINSA-N 2 2 340.467 3.360 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC(F)F ZINC000367703057 168260261 /nfs/dbraw/zinc/26/02/61/168260261.db2.gz MTEDTAUNUPVAHP-ZDUSSCGKSA-N 2 2 337.370 3.020 20 0 EGADLP COCCOCc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000367963935 168290306 /nfs/dbraw/zinc/29/03/06/168290306.db2.gz SHFIXGNZXOBAFD-LJQANCHMSA-N 2 2 343.471 3.022 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571070 225046317 /nfs/dbraw/zinc/04/63/17/225046317.db2.gz KQFOZYSJXQPYDM-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158571070 225046320 /nfs/dbraw/zinc/04/63/20/225046320.db2.gz KQFOZYSJXQPYDM-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158571070 225046322 /nfs/dbraw/zinc/04/63/22/225046322.db2.gz KQFOZYSJXQPYDM-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158571070 225046324 /nfs/dbraw/zinc/04/63/24/225046324.db2.gz KQFOZYSJXQPYDM-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158659549 225062395 /nfs/dbraw/zinc/06/23/95/225062395.db2.gz XOLVEYXOTWUOQE-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158659549 225062398 /nfs/dbraw/zinc/06/23/98/225062398.db2.gz XOLVEYXOTWUOQE-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158659549 225062401 /nfs/dbraw/zinc/06/24/01/225062401.db2.gz XOLVEYXOTWUOQE-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000158659549 225062403 /nfs/dbraw/zinc/06/24/03/225062403.db2.gz XOLVEYXOTWUOQE-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000166420960 226159396 /nfs/dbraw/zinc/15/93/96/226159396.db2.gz PTMOMMDIHJQXMG-LBPRGKRZSA-N 2 2 345.244 3.372 20 0 EGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc[nH+]cc2C)c1 ZINC000121431342 221842921 /nfs/dbraw/zinc/84/29/21/221842921.db2.gz CBVNGIDAEBNDRH-UHFFFAOYSA-N 2 2 326.444 3.294 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)CC3 ZINC000123218998 222236363 /nfs/dbraw/zinc/23/63/63/222236363.db2.gz SZTFZWMBCYQBKW-UONOGXRCSA-N 2 2 327.472 3.106 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)CC3 ZINC000123218998 222236367 /nfs/dbraw/zinc/23/63/67/222236367.db2.gz SZTFZWMBCYQBKW-UONOGXRCSA-N 2 2 327.472 3.106 20 0 EGADLP CCn1nccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124058764 222371216 /nfs/dbraw/zinc/37/12/16/222371216.db2.gz BVTJWNUBEDAENI-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124058764 222371220 /nfs/dbraw/zinc/37/12/20/222371220.db2.gz BVTJWNUBEDAENI-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124058764 222371225 /nfs/dbraw/zinc/37/12/25/222371225.db2.gz BVTJWNUBEDAENI-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1nccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124058764 222371228 /nfs/dbraw/zinc/37/12/28/222371228.db2.gz BVTJWNUBEDAENI-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1Oc1cc[nH+]cc1 ZINC000174235122 265034621 /nfs/dbraw/zinc/03/46/21/265034621.db2.gz AGMUEBPRQGJOSC-UHFFFAOYSA-N 2 2 327.428 3.300 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281428 265167224 /nfs/dbraw/zinc/16/72/24/265167224.db2.gz POXXWSWPTKMELU-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281428 265167226 /nfs/dbraw/zinc/16/72/26/265167226.db2.gz POXXWSWPTKMELU-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281428 265167232 /nfs/dbraw/zinc/16/72/32/265167232.db2.gz POXXWSWPTKMELU-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281428 265167235 /nfs/dbraw/zinc/16/72/35/265167235.db2.gz POXXWSWPTKMELU-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000193970553 266079352 /nfs/dbraw/zinc/07/93/52/266079352.db2.gz GYCIBCAWGXBWGL-LLVKDONJSA-N 2 2 335.311 3.130 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cs1 ZINC000193970553 266079355 /nfs/dbraw/zinc/07/93/55/266079355.db2.gz GYCIBCAWGXBWGL-LLVKDONJSA-N 2 2 335.311 3.130 20 0 EGADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237902749 266250234 /nfs/dbraw/zinc/25/02/34/266250234.db2.gz VRYISBRXVFBXAL-GDBMZVCRSA-N 2 2 330.407 3.248 20 0 EGADLP C[C@H](CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000269737995 266350045 /nfs/dbraw/zinc/35/00/45/266350045.db2.gz LSHXBQBCOUUXFU-GOSISDBHSA-N 2 2 345.531 3.055 20 0 EGADLP C[C@H](CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000269737995 266350051 /nfs/dbraw/zinc/35/00/51/266350051.db2.gz LSHXBQBCOUUXFU-GOSISDBHSA-N 2 2 345.531 3.055 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)ncc1F ZINC000273846712 267123634 /nfs/dbraw/zinc/12/36/34/267123634.db2.gz IXFJQYMSMQHHDB-LLVKDONJSA-N 2 2 330.245 3.120 20 0 EGADLP COc1ccsc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000274414255 267233090 /nfs/dbraw/zinc/23/30/90/267233090.db2.gz FJDWUVOSXZKALL-HIFRSBDPSA-N 2 2 346.500 3.465 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274865302 267298606 /nfs/dbraw/zinc/29/86/06/267298606.db2.gz VLJOXSCDZPNHJC-LXZJYRNTSA-N 2 2 345.531 3.180 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274865302 267298608 /nfs/dbraw/zinc/29/86/08/267298608.db2.gz VLJOXSCDZPNHJC-LXZJYRNTSA-N 2 2 345.531 3.180 20 0 EGADLP CN1c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2CCC1=O ZINC000274934851 267307996 /nfs/dbraw/zinc/30/79/96/267307996.db2.gz ZDIQAPCZCHHGRO-UHFFFAOYSA-N 2 2 341.499 3.046 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@H]1CCSC1 ZINC000278520310 268031304 /nfs/dbraw/zinc/03/13/04/268031304.db2.gz QATGZPMKVPTKFL-OAHLLOKOSA-N 2 2 335.517 3.002 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000303217136 273599587 /nfs/dbraw/zinc/59/95/87/273599587.db2.gz DWCNVKKYKCBOBY-DOTOQJQBSA-N 2 2 338.492 3.045 20 0 EGADLP Fc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(Br)c1 ZINC000045107222 275133045 /nfs/dbraw/zinc/13/30/45/275133045.db2.gz AGZQTRZBHVDGAG-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211713 275187502 /nfs/dbraw/zinc/18/75/02/275187502.db2.gz DHZSLDOMCYBGMF-HNNXBMFYSA-N 2 2 340.427 3.337 20 0 EGADLP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000112211713 275187503 /nfs/dbraw/zinc/18/75/03/275187503.db2.gz DHZSLDOMCYBGMF-HNNXBMFYSA-N 2 2 340.427 3.337 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)cc12 ZINC000185687897 275215988 /nfs/dbraw/zinc/21/59/88/275215988.db2.gz WNJGWFIFOCKMFK-KXBFYZLASA-N 2 2 337.471 3.058 20 0 EGADLP Fc1ccc(Cn2cc(C[NH2+]CCc3cn4ccccc4[nH+]3)cn2)cc1 ZINC000189028679 275219296 /nfs/dbraw/zinc/21/92/96/275219296.db2.gz RPSZNILWXFYSFC-UHFFFAOYSA-N 2 2 349.413 3.051 20 0 EGADLP C[C@H](c1ccncc1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589804 275257014 /nfs/dbraw/zinc/25/70/14/275257014.db2.gz KYJOVBGMWODNCX-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccncc1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278589804 275257016 /nfs/dbraw/zinc/25/70/16/275257016.db2.gz KYJOVBGMWODNCX-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccncc1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278589804 275257017 /nfs/dbraw/zinc/25/70/17/275257017.db2.gz KYJOVBGMWODNCX-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccncc1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278589804 275257020 /nfs/dbraw/zinc/25/70/20/275257020.db2.gz KYJOVBGMWODNCX-NQIIRXRSSA-N 2 2 339.483 3.366 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCO[C@H](c3c[nH+]cn3C)C1)CCC2 ZINC000278888352 275284683 /nfs/dbraw/zinc/28/46/83/275284683.db2.gz DKDQOGKZHIRICT-IOASZLSFSA-N 2 2 346.500 3.326 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000279670842 275348451 /nfs/dbraw/zinc/34/84/51/275348451.db2.gz FEIIVWXVSWXYOB-INIZCTEOSA-N 2 2 335.473 3.133 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000279670842 275348453 /nfs/dbraw/zinc/34/84/53/275348453.db2.gz FEIIVWXVSWXYOB-INIZCTEOSA-N 2 2 335.473 3.133 20 0 EGADLP Cn1cc(-c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)s2)cn1 ZINC000282807626 275672796 /nfs/dbraw/zinc/67/27/96/275672796.db2.gz NZZBAHGNRPVRKT-UHFFFAOYSA-N 2 2 327.457 3.182 20 0 EGADLP CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000366635333 276028754 /nfs/dbraw/zinc/02/87/54/276028754.db2.gz LFAMBFUAJDHXJU-BJLQDIEVSA-N 2 2 349.563 3.076 20 0 EGADLP CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000366635333 276028755 /nfs/dbraw/zinc/02/87/55/276028755.db2.gz LFAMBFUAJDHXJU-BJLQDIEVSA-N 2 2 349.563 3.076 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000286688304 276033276 /nfs/dbraw/zinc/03/32/76/276033276.db2.gz VVKIHYGBNVDPEI-CABCVRRESA-N 2 2 347.894 3.192 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000287538352 276130402 /nfs/dbraw/zinc/13/04/02/276130402.db2.gz OAMLSXFPTIYFOB-MAUKXSAKSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000287538352 276130404 /nfs/dbraw/zinc/13/04/04/276130404.db2.gz OAMLSXFPTIYFOB-MAUKXSAKSA-N 2 2 338.455 3.483 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289459864 276342185 /nfs/dbraw/zinc/34/21/85/276342185.db2.gz GCPPCTPSWGOQKL-CXAGYDPISA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289459864 276342186 /nfs/dbraw/zinc/34/21/86/276342186.db2.gz GCPPCTPSWGOQKL-CXAGYDPISA-N 2 2 345.512 3.224 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289545487 276355864 /nfs/dbraw/zinc/35/58/64/276355864.db2.gz CWMBGDDJNRNAMP-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289545487 276355866 /nfs/dbraw/zinc/35/58/66/276355866.db2.gz CWMBGDDJNRNAMP-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289545487 276355868 /nfs/dbraw/zinc/35/58/68/276355868.db2.gz CWMBGDDJNRNAMP-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289545487 276355869 /nfs/dbraw/zinc/35/58/69/276355869.db2.gz CWMBGDDJNRNAMP-BLLLJJGKSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289545494 276355876 /nfs/dbraw/zinc/35/58/76/276355876.db2.gz CWMBGDDJNRNAMP-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289545494 276355878 /nfs/dbraw/zinc/35/58/78/276355878.db2.gz CWMBGDDJNRNAMP-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289545494 276355879 /nfs/dbraw/zinc/35/58/79/276355879.db2.gz CWMBGDDJNRNAMP-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289545494 276355880 /nfs/dbraw/zinc/35/58/80/276355880.db2.gz CWMBGDDJNRNAMP-LRDDRELGSA-N 2 2 330.394 3.153 20 0 EGADLP Cn1c[nH+]cc1CN(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000289546972 276356099 /nfs/dbraw/zinc/35/60/99/276356099.db2.gz XGLFLDVXBRMDHS-UHFFFAOYSA-N 2 2 340.393 3.003 20 0 EGADLP Cc1nc(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)sc1C ZINC000289584535 276361883 /nfs/dbraw/zinc/36/18/83/276361883.db2.gz HOHXUBYSENRZQR-UHFFFAOYSA-N 2 2 330.501 3.218 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1O ZINC000289594541 276363489 /nfs/dbraw/zinc/36/34/89/276363489.db2.gz FPMCEKNVAURCJS-INIZCTEOSA-N 2 2 340.467 3.500 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1O ZINC000289594541 276363490 /nfs/dbraw/zinc/36/34/90/276363490.db2.gz FPMCEKNVAURCJS-INIZCTEOSA-N 2 2 340.467 3.500 20 0 EGADLP CC(C)n1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)nn1 ZINC000289625891 276368299 /nfs/dbraw/zinc/36/82/99/276368299.db2.gz GAYQPZMTOGNEOD-UHFFFAOYSA-N 2 2 341.503 3.381 20 0 EGADLP OCC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291232129 276611566 /nfs/dbraw/zinc/61/15/66/276611566.db2.gz UGKFAYSEAZAJHC-MRXNPFEDSA-N 2 2 344.421 3.159 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712019 278052672 /nfs/dbraw/zinc/05/26/72/278052672.db2.gz BRRNRENGDWWDTB-GHTZIAJQSA-N 2 2 341.499 3.086 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2C1 ZINC000352712019 278052673 /nfs/dbraw/zinc/05/26/73/278052673.db2.gz BRRNRENGDWWDTB-GHTZIAJQSA-N 2 2 341.499 3.086 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000076898750 278231968 /nfs/dbraw/zinc/23/19/68/278231968.db2.gz QBQAEEVALIYGBH-KRWDZBQOSA-N 2 2 332.488 3.208 20 0 EGADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936822 279052537 /nfs/dbraw/zinc/05/25/37/279052537.db2.gz LWXWTDGEZPWVPW-XYZKALLWSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936822 279052538 /nfs/dbraw/zinc/05/25/38/279052538.db2.gz LWXWTDGEZPWVPW-XYZKALLWSA-N 2 2 326.843 3.239 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513319 280190347 /nfs/dbraw/zinc/19/03/47/280190347.db2.gz FBOHDQLSKVYENA-MAUKXSAKSA-N 2 2 326.431 3.362 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(F)cc1F ZINC000359513319 280190349 /nfs/dbraw/zinc/19/03/49/280190349.db2.gz FBOHDQLSKVYENA-MAUKXSAKSA-N 2 2 326.431 3.362 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000348877467 289271893 /nfs/dbraw/zinc/27/18/93/289271893.db2.gz HCLSQPWTGRUKLG-ZWKOTPCHSA-N 2 2 349.906 3.030 20 0 EGADLP COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c(OC)c1OC ZINC000336783504 295126129 /nfs/dbraw/zinc/12/61/29/295126129.db2.gz XFKBHQDWZXJPSI-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(OC)c1OC ZINC000336783504 295126130 /nfs/dbraw/zinc/12/61/30/295126130.db2.gz XFKBHQDWZXJPSI-UHFFFAOYSA-N 2 2 344.455 3.063 20 0 EGADLP [NH3+]CCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1 ZINC000310592960 303376237 /nfs/dbraw/zinc/37/62/37/303376237.db2.gz ZNNMGFNGWAIGKO-PMACEKPBSA-N 2 2 343.515 3.019 20 0 EGADLP [NH3+]CCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1 ZINC000310592960 303376238 /nfs/dbraw/zinc/37/62/38/303376238.db2.gz ZNNMGFNGWAIGKO-PMACEKPBSA-N 2 2 343.515 3.019 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868434 307383012 /nfs/dbraw/zinc/38/30/12/307383012.db2.gz CADRQPMDGBSVMW-QUCCMNQESA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868434 307383013 /nfs/dbraw/zinc/38/30/13/307383013.db2.gz CADRQPMDGBSVMW-QUCCMNQESA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868434 307383014 /nfs/dbraw/zinc/38/30/14/307383014.db2.gz CADRQPMDGBSVMW-QUCCMNQESA-N 2 2 345.531 3.135 20 0 EGADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868434 307383015 /nfs/dbraw/zinc/38/30/15/307383015.db2.gz CADRQPMDGBSVMW-QUCCMNQESA-N 2 2 345.531 3.135 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc2n(n1)CCC2 ZINC000414074338 309059240 /nfs/dbraw/zinc/05/92/40/309059240.db2.gz ODHHLXSSCWYKSV-HNNXBMFYSA-N 2 2 342.462 3.284 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082200 309059932 /nfs/dbraw/zinc/05/99/32/309059932.db2.gz VBUXMJOWPGUREA-MJGOQNOKSA-N 2 2 338.499 3.045 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414082200 309059933 /nfs/dbraw/zinc/05/99/33/309059933.db2.gz VBUXMJOWPGUREA-MJGOQNOKSA-N 2 2 338.499 3.045 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000414119935 309061974 /nfs/dbraw/zinc/06/19/74/309061974.db2.gz WZPWXQGAVXQWEF-UHFFFAOYSA-N 2 2 338.499 3.232 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCOc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153153875 307767136 /nfs/dbraw/zinc/76/71/36/307767136.db2.gz MACDPAMLJWSMSH-RHSMWYFYSA-N 2 2 338.879 3.112 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000414287489 309070651 /nfs/dbraw/zinc/07/06/51/309070651.db2.gz KLZXBKYZFAOWIZ-PBEJRMEISA-N 2 2 342.458 3.154 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000414287489 309070652 /nfs/dbraw/zinc/07/06/52/309070652.db2.gz KLZXBKYZFAOWIZ-PBEJRMEISA-N 2 2 342.458 3.154 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000414288142 309070678 /nfs/dbraw/zinc/07/06/78/309070678.db2.gz UVDNCIGLUJJJDU-UHFFFAOYSA-N 2 2 328.435 3.036 20 0 EGADLP OC[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309233 309072170 /nfs/dbraw/zinc/07/21/70/309072170.db2.gz JCQSCNWWUFZTGS-TZIWHRDSSA-N 2 2 342.458 3.156 20 0 EGADLP OC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309233 309072171 /nfs/dbraw/zinc/07/21/71/309072171.db2.gz JCQSCNWWUFZTGS-TZIWHRDSSA-N 2 2 342.458 3.156 20 0 EGADLP CC(C)c1cccc2c1OCC[C@H]2[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000166658906 307930869 /nfs/dbraw/zinc/93/08/69/307930869.db2.gz KXAWLEHGLLOOHS-QFBILLFUSA-N 2 2 332.488 3.192 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367467 309075799 /nfs/dbraw/zinc/07/57/99/309075799.db2.gz QRYOWZMDQUYASL-RDTXWAMCSA-N 2 2 348.853 3.360 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367467 309075800 /nfs/dbraw/zinc/07/58/00/309075800.db2.gz QRYOWZMDQUYASL-RDTXWAMCSA-N 2 2 348.853 3.360 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000248778038 308011666 /nfs/dbraw/zinc/01/16/66/308011666.db2.gz BLAUMPRBHVNATO-BVYCBKJFSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000248778038 308011668 /nfs/dbraw/zinc/01/16/68/308011668.db2.gz BLAUMPRBHVNATO-BVYCBKJFSA-N 2 2 338.495 3.324 20 0 EGADLP Fc1cccc(CC2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)c1 ZINC000292882453 308076051 /nfs/dbraw/zinc/07/60/51/308076051.db2.gz CETAMJWDEPKDBU-UHFFFAOYSA-N 2 2 339.414 3.355 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)n1C ZINC000414397597 309077675 /nfs/dbraw/zinc/07/76/75/309077675.db2.gz UHZONZZYRVJJSG-LJQANCHMSA-N 2 2 342.487 3.060 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000293138416 308103139 /nfs/dbraw/zinc/10/31/39/308103139.db2.gz ZORJKDKGTPUDJM-MAUKXSAKSA-N 2 2 348.441 3.291 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000293138416 308103142 /nfs/dbraw/zinc/10/31/42/308103142.db2.gz ZORJKDKGTPUDJM-MAUKXSAKSA-N 2 2 348.441 3.291 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1OC(F)F ZINC000293587324 308144263 /nfs/dbraw/zinc/14/42/63/308144263.db2.gz IEPJAMXGOAQJAK-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1OC(F)F ZINC000293587324 308144264 /nfs/dbraw/zinc/14/42/64/308144264.db2.gz IEPJAMXGOAQJAK-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1OC(F)F ZINC000293587324 308144266 /nfs/dbraw/zinc/14/42/66/308144266.db2.gz IEPJAMXGOAQJAK-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1OC(F)F ZINC000293587324 308144268 /nfs/dbraw/zinc/14/42/68/308144268.db2.gz IEPJAMXGOAQJAK-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C2)C1 ZINC000293960483 308177871 /nfs/dbraw/zinc/17/78/71/308177871.db2.gz SZQHHGQOOCIXBR-HXUWFJFHSA-N 2 2 337.423 3.042 20 0 EGADLP C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C2)C1 ZINC000293960483 308177873 /nfs/dbraw/zinc/17/78/73/308177873.db2.gz SZQHHGQOOCIXBR-HXUWFJFHSA-N 2 2 337.423 3.042 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294182167 308197863 /nfs/dbraw/zinc/19/78/63/308197863.db2.gz NRNGPHJJVROMJQ-ZBFHGGJFSA-N 2 2 328.460 3.124 20 0 EGADLP O=C(NCCC[C@@H]1CCC[NH2+]1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000294738045 308251643 /nfs/dbraw/zinc/25/16/43/308251643.db2.gz CDUPBPCFDUTUPT-INIZCTEOSA-N 2 2 325.412 3.136 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129871 308294933 /nfs/dbraw/zinc/29/49/33/308294933.db2.gz OIMSQDMDVPPEJZ-WOJBJXKFSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000295129871 308294934 /nfs/dbraw/zinc/29/49/34/308294934.db2.gz OIMSQDMDVPPEJZ-WOJBJXKFSA-N 2 2 332.463 3.198 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000295983740 308381630 /nfs/dbraw/zinc/38/16/30/308381630.db2.gz JRAOIHNYPCPTMB-UHFFFAOYSA-N 2 2 332.879 3.490 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000295983740 308381632 /nfs/dbraw/zinc/38/16/32/308381632.db2.gz JRAOIHNYPCPTMB-UHFFFAOYSA-N 2 2 332.879 3.490 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1F ZINC000296025977 308386113 /nfs/dbraw/zinc/38/61/13/308386113.db2.gz MVECQBXNYLYITC-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1F ZINC000296025977 308386114 /nfs/dbraw/zinc/38/61/14/308386114.db2.gz MVECQBXNYLYITC-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000414771418 309099762 /nfs/dbraw/zinc/09/97/62/309099762.db2.gz QVNUKGCRINLNSH-HNAYVOBHSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000414771418 309099763 /nfs/dbraw/zinc/09/97/63/309099763.db2.gz QVNUKGCRINLNSH-HNAYVOBHSA-N 2 2 325.456 3.316 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H](C[NH3+])C1 ZINC000414771860 309099907 /nfs/dbraw/zinc/09/99/07/309099907.db2.gz SCNYFGUSFJAXIV-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)[C@@H](C[NH3+])C1 ZINC000414771860 309099908 /nfs/dbraw/zinc/09/99/08/309099908.db2.gz SCNYFGUSFJAXIV-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP Cc1[nH+]ccn1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000297827897 308566578 /nfs/dbraw/zinc/56/65/78/308566578.db2.gz NWMJUVOTRQVACD-UHFFFAOYSA-N 2 2 335.411 3.030 20 0 EGADLP c1ccc([C@@H]2CCc3nc(C[NH2+]C4CC[NH2+]CC4)sc3C2)cc1 ZINC000414787872 309101314 /nfs/dbraw/zinc/10/13/14/309101314.db2.gz LXFFAUZKDMQORZ-OAHLLOKOSA-N 2 2 327.497 3.257 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301098756 308688108 /nfs/dbraw/zinc/68/81/08/308688108.db2.gz XDANFMYRNROHBH-UHFFFAOYSA-N 2 2 336.439 3.284 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCCCC1 ZINC000414835568 309104637 /nfs/dbraw/zinc/10/46/37/309104637.db2.gz DJYVNBIQTZOVHQ-UHFFFAOYSA-N 2 2 325.456 3.412 20 0 EGADLP Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000332554613 308839541 /nfs/dbraw/zinc/83/95/41/308839541.db2.gz RLDBYQWUZHCUHG-NVXWUHKLSA-N 2 2 345.491 3.114 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)S1=O ZINC000411615823 308945748 /nfs/dbraw/zinc/94/57/48/308945748.db2.gz CKEPWGJEPKDFRG-IAGOWNOFSA-N 2 2 334.529 3.014 20 0 EGADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000414851085 309105482 /nfs/dbraw/zinc/10/54/82/309105482.db2.gz SYWAVFITUGMEDK-GOSISDBHSA-N 2 2 326.440 3.371 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414852565 309105680 /nfs/dbraw/zinc/10/56/80/309105680.db2.gz WBOOYBSGMYPWPB-INIZCTEOSA-N 2 2 332.879 3.043 20 0 EGADLP [NH3+]C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000414855039 309105771 /nfs/dbraw/zinc/10/57/71/309105771.db2.gz VUKYXYPDEHLWLO-NRFANRHFSA-N 3 2 329.532 3.191 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1OCc1ccccc1 ZINC000414870397 309106399 /nfs/dbraw/zinc/10/63/99/309106399.db2.gz SMKIDQPFOAVNFO-SFHVURJKSA-N 2 2 326.440 3.116 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(C)ccc2OC)cc1 ZINC000414876221 309106685 /nfs/dbraw/zinc/10/66/85/309106685.db2.gz CXXKHDMFQHABIL-WOJBJXKFSA-N 2 2 340.467 3.248 20 0 EGADLP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)c1 ZINC000414886369 309107318 /nfs/dbraw/zinc/10/73/18/309107318.db2.gz PVUVUSWNGRADAZ-LEWJYISDSA-N 2 2 340.467 3.329 20 0 EGADLP COCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)c1 ZINC000414889492 309107443 /nfs/dbraw/zinc/10/74/43/309107443.db2.gz SULHFMJYIGCFKT-LEWJYISDSA-N 2 2 340.467 3.077 20 0 EGADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414998903 309113468 /nfs/dbraw/zinc/11/34/68/309113468.db2.gz RCKCXAZFUYIKNN-KLHFOMLHSA-N 3 2 347.934 3.410 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415046778 309116263 /nfs/dbraw/zinc/11/62/63/309116263.db2.gz VNHYYXPQUUCIFM-AWEZNQCLSA-N 2 2 338.377 3.121 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]CCC[NH2+]C3CC3)cs2)cc1 ZINC000415064361 309117983 /nfs/dbraw/zinc/11/79/83/309117983.db2.gz CJOIEXTYEREASK-UHFFFAOYSA-N 2 2 331.485 3.262 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000415070090 309118107 /nfs/dbraw/zinc/11/81/07/309118107.db2.gz UKYJTHUWVTWXJF-VQIMIIECSA-N 2 2 331.504 3.020 20 0 EGADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415077897 309118642 /nfs/dbraw/zinc/11/86/42/309118642.db2.gz FWELFMKHQMCZEH-UYAOXDASSA-N 2 2 328.431 3.460 20 0 EGADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000415081097 309118817 /nfs/dbraw/zinc/11/88/17/309118817.db2.gz KAFVMBIQVNPGEC-AZUAARDMSA-N 3 2 340.515 3.374 20 0 EGADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)n2)cc1 ZINC000415107916 309120950 /nfs/dbraw/zinc/12/09/50/309120950.db2.gz ODXNGIFVEBFHTB-SJORKVTESA-N 2 2 342.487 3.281 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000415117796 309121381 /nfs/dbraw/zinc/12/13/81/309121381.db2.gz DHQBBFYGWSDHBF-KRWDZBQOSA-N 2 2 337.427 3.027 20 0 EGADLP [NH3+][C@@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)C[C@H]1c1ccccc1F ZINC000415126576 309122269 /nfs/dbraw/zinc/12/22/69/309122269.db2.gz RCFLLLRGYOUPOO-DOTOQJQBSA-N 2 2 344.821 3.054 20 0 EGADLP Cc1cc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000415138901 309123206 /nfs/dbraw/zinc/12/32/06/309123206.db2.gz VWAJIBXOFHXFPQ-UHFFFAOYSA-N 3 2 341.474 3.217 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137516 309123246 /nfs/dbraw/zinc/12/32/46/309123246.db2.gz UFSKYDDLJJMCEO-PMACEKPBSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+]C/C=C\c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415140418 309123395 /nfs/dbraw/zinc/12/33/95/309123395.db2.gz ZEWOVBYOJKLSMA-GHXNOFRVSA-N 3 2 335.495 3.283 20 0 EGADLP [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415162337 309124182 /nfs/dbraw/zinc/12/41/82/309124182.db2.gz AIOLRJYMTATYBY-HNNXBMFYSA-N 2 2 326.400 3.219 20 0 EGADLP O=C(NCCC[NH2+]C1CC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415187892 309125455 /nfs/dbraw/zinc/12/54/55/309125455.db2.gz QDHBNFATZBISMZ-UHFFFAOYSA-N 2 2 326.400 3.138 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419291122 309263430 /nfs/dbraw/zinc/26/34/30/309263430.db2.gz KTLDPRKQNKHQHY-MRXNPFEDSA-N 2 2 329.488 3.237 20 0 EGADLP CCN(CC)C(=O)[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000419299578 309263725 /nfs/dbraw/zinc/26/37/25/309263725.db2.gz YTNLESQVKMWJCP-FQEVSTJZSA-N 2 2 343.515 3.203 20 0 EGADLP Cc1csc([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000419690161 309271174 /nfs/dbraw/zinc/27/11/74/309271174.db2.gz UWQDLBLVHRGFHJ-AWEZNQCLSA-N 2 2 330.501 3.204 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1c2ccccc2CCc2ccccc21)C1CC1 ZINC000420292505 309279662 /nfs/dbraw/zinc/27/96/62/309279662.db2.gz PKFXIFBYRPZDEC-QFIPXVFZSA-N 2 2 349.478 3.167 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420313944 309281526 /nfs/dbraw/zinc/28/15/26/309281526.db2.gz KLLFSFLLUXLCLO-NEPJUHHUSA-N 2 2 335.423 3.130 20 0 EGADLP Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000420313944 309281527 /nfs/dbraw/zinc/28/15/27/309281527.db2.gz KLLFSFLLUXLCLO-NEPJUHHUSA-N 2 2 335.423 3.130 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000420320402 309282208 /nfs/dbraw/zinc/28/22/08/309282208.db2.gz QCXORTBICKMVKP-HNNXBMFYSA-N 2 2 345.512 3.205 20 0 EGADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000420320402 309282209 /nfs/dbraw/zinc/28/22/09/309282209.db2.gz QCXORTBICKMVKP-HNNXBMFYSA-N 2 2 345.512 3.205 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000420325804 309282341 /nfs/dbraw/zinc/28/23/41/309282341.db2.gz BVELAJLEUDSWLQ-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000420325804 309282342 /nfs/dbraw/zinc/28/23/42/309282342.db2.gz BVELAJLEUDSWLQ-JXFKEZNVSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000420325814 309282442 /nfs/dbraw/zinc/28/24/42/309282442.db2.gz BVELAJLEUDSWLQ-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000420325814 309282443 /nfs/dbraw/zinc/28/24/43/309282443.db2.gz BVELAJLEUDSWLQ-UZLBHIALSA-N 2 2 337.467 3.498 20 0 EGADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000420323847 309282446 /nfs/dbraw/zinc/28/24/46/309282446.db2.gz UMMMZRODAHSRIN-FQEVSTJZSA-N 2 2 343.471 3.183 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000420352899 309283586 /nfs/dbraw/zinc/28/35/86/309283586.db2.gz AWYWGARDWMNETG-OAHLLOKOSA-N 2 2 343.393 3.141 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420370162 309284694 /nfs/dbraw/zinc/28/46/94/309284694.db2.gz YPFSUHXQLFLELP-OAHLLOKOSA-N 2 2 344.286 3.429 20 0 EGADLP Fc1cccc(-c2cnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420402889 309286661 /nfs/dbraw/zinc/28/66/61/309286661.db2.gz QXOIMWASFCNZPX-WBVHZDCISA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2cnc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c1 ZINC000420402889 309286662 /nfs/dbraw/zinc/28/66/62/309286662.db2.gz QXOIMWASFCNZPX-WBVHZDCISA-N 2 2 329.419 3.445 20 0 EGADLP Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420924826 309301464 /nfs/dbraw/zinc/30/14/64/309301464.db2.gz UPIOVXHSBFRPKY-OAHLLOKOSA-N 2 2 331.485 3.135 20 0 EGADLP c1cncc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420934639 309302595 /nfs/dbraw/zinc/30/25/95/309302595.db2.gz JKDXAAIMPYRVHC-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP c1cncc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420934639 309302596 /nfs/dbraw/zinc/30/25/96/309302596.db2.gz JKDXAAIMPYRVHC-OAQYLSRUSA-N 2 2 337.467 3.251 20 0 EGADLP CC(C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420941998 309303094 /nfs/dbraw/zinc/30/30/94/309303094.db2.gz UHJVIMCCWQJIFO-UHFFFAOYSA-N 2 2 331.485 3.000 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3sccc3Cl)CC2)CC1 ZINC000420976409 309305491 /nfs/dbraw/zinc/30/54/91/309305491.db2.gz GYRYRMWRGSVGPU-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3sccc3Cl)CC2)CC1 ZINC000420976409 309305492 /nfs/dbraw/zinc/30/54/92/309305492.db2.gz GYRYRMWRGSVGPU-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[N@H+](Cc1occc1C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420981506 309305681 /nfs/dbraw/zinc/30/56/81/309305681.db2.gz YFRNAWYBRCYCAJ-UHFFFAOYSA-N 2 2 328.456 3.442 20 0 EGADLP CC[N@@H+](Cc1occc1C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420981506 309305682 /nfs/dbraw/zinc/30/56/82/309305682.db2.gz YFRNAWYBRCYCAJ-UHFFFAOYSA-N 2 2 328.456 3.442 20 0 EGADLP C[NH+](C)CCOc1cccc(N[C@@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000421836186 309342510 /nfs/dbraw/zinc/34/25/10/309342510.db2.gz GOMXMKPXJKHLLL-QGZVFWFLSA-N 2 2 325.456 3.382 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccco1 ZINC000422148497 309355721 /nfs/dbraw/zinc/35/57/21/309355721.db2.gz ADTWJSHQPWZJRI-QGZVFWFLSA-N 2 2 344.459 3.174 20 0 EGADLP Cc1cc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(C)[nH+]1 ZINC000422184368 309357087 /nfs/dbraw/zinc/35/70/87/309357087.db2.gz ARSFPZHPPQVEPF-QFBILLFUSA-N 2 2 340.471 3.189 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422214663 309358127 /nfs/dbraw/zinc/35/81/27/309358127.db2.gz SXUJYUWTUGYNSH-UHFFFAOYSA-N 2 2 334.508 3.208 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422723074 309365155 /nfs/dbraw/zinc/36/51/55/309365155.db2.gz ZNRSIBXXZHKMNX-RHSMWYFYSA-N 2 2 327.428 3.152 20 0 EGADLP O=C1[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCN1c1ccccc1 ZINC000422739018 309366046 /nfs/dbraw/zinc/36/60/46/309366046.db2.gz KRKRNRUQNGMATO-HMXCVIKNSA-N 2 2 349.478 3.265 20 0 EGADLP C[NH2+]C[C@H](C)CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000422830442 309370785 /nfs/dbraw/zinc/37/07/85/309370785.db2.gz RCVGQZRZWHRDSA-HNNXBMFYSA-N 2 2 342.487 3.056 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422839161 309371134 /nfs/dbraw/zinc/37/11/34/309371134.db2.gz PQNSXYDPEKCTNZ-DLBZAZTESA-N 2 2 342.439 3.337 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)c2ccccc21 ZINC000422853753 309372071 /nfs/dbraw/zinc/37/20/71/309372071.db2.gz CFPKGZFAYSCFHN-CABCVRRESA-N 2 2 337.345 3.257 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422874764 309373340 /nfs/dbraw/zinc/37/33/40/309373340.db2.gz BATUDQTVVXOFQP-KBPBESRZSA-N 2 2 327.266 3.078 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)cn2)n1 ZINC000422898515 309375066 /nfs/dbraw/zinc/37/50/66/309375066.db2.gz MIMPVGADSSQXEX-MOPGFXCFSA-N 2 2 333.439 3.119 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000422956416 309378090 /nfs/dbraw/zinc/37/80/90/309378090.db2.gz LCJNEFJGPNJTND-FMKPAKJESA-N 2 2 331.485 3.228 20 0 EGADLP C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422972977 309378870 /nfs/dbraw/zinc/37/88/70/309378870.db2.gz NHUBMTJDPPUSFD-LPHOPBHVSA-N 2 2 325.456 3.281 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423033204 309382060 /nfs/dbraw/zinc/38/20/60/309382060.db2.gz ZEADPOYNSGOWMB-MRRJBJDNSA-N 3 2 327.875 3.189 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423033204 309382061 /nfs/dbraw/zinc/38/20/61/309382061.db2.gz ZEADPOYNSGOWMB-MRRJBJDNSA-N 3 2 327.875 3.189 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423034940 309382211 /nfs/dbraw/zinc/38/22/11/309382211.db2.gz QUUXTSFFXOPBHK-KKSFZXQISA-N 2 2 334.467 3.229 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000423083068 309384986 /nfs/dbraw/zinc/38/49/86/309384986.db2.gz GDJWXWSLTVYSSP-JIMOISOXSA-N 2 2 327.291 3.326 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423086106 309385136 /nfs/dbraw/zinc/38/51/36/309385136.db2.gz MJWOEZOEIHQKJQ-HNAYVOBHSA-N 2 2 326.488 3.085 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423086107 309385201 /nfs/dbraw/zinc/38/52/01/309385201.db2.gz MJWOEZOEIHQKJQ-KXBFYZLASA-N 2 2 326.488 3.085 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085474 309385209 /nfs/dbraw/zinc/38/52/09/309385209.db2.gz KQKGCZYBHUOKOK-ZLGUVYLKSA-N 2 2 349.478 3.000 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423099126 309385986 /nfs/dbraw/zinc/38/59/86/309385986.db2.gz DWZCOUDARAIBCJ-UZLBHIALSA-N 2 2 341.474 3.474 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000423139703 309387950 /nfs/dbraw/zinc/38/79/50/309387950.db2.gz WLEBEYCPBMQIMD-BMFZPTHFSA-N 2 2 330.394 3.079 20 0 EGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423285217 309394117 /nfs/dbraw/zinc/39/41/17/309394117.db2.gz YAUYWATUKRETJP-UFBFGSQYSA-N 2 2 336.329 3.277 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H](C)C[NH3+])s2)cc1OC ZINC000423326722 309395323 /nfs/dbraw/zinc/39/53/23/309395323.db2.gz MWAVFIOQXRAXRR-NEPJUHHUSA-N 2 2 349.500 3.057 20 0 EGADLP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc(Br)s1 ZINC000423368859 309397298 /nfs/dbraw/zinc/39/72/98/309397298.db2.gz DJXIZOWLYZSSRH-VIFPVBQESA-N 2 2 338.274 3.360 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1NC(C)=O ZINC000423388558 309398117 /nfs/dbraw/zinc/39/81/17/309398117.db2.gz MXRSZUBZDQYFBW-ACJLOTCBSA-N 2 2 333.476 3.082 20 0 EGADLP COC[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c32)CCC[NH2+]1 ZINC000423419842 309399785 /nfs/dbraw/zinc/39/97/85/309399785.db2.gz WLVPJGGGKVMFTQ-GDBMZVCRSA-N 2 2 329.271 3.339 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423439690 309400454 /nfs/dbraw/zinc/40/04/54/309400454.db2.gz VJQBDFRVUPDBOC-IUODEOHRSA-N 2 2 332.366 3.004 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2[nH+]c1C(C)(C)C ZINC000423810461 309414075 /nfs/dbraw/zinc/41/40/75/309414075.db2.gz MMHYGGRUQNSRFX-CQSZACIVSA-N 2 2 340.471 3.199 20 0 EGADLP Cc1cc(F)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000424129111 309430271 /nfs/dbraw/zinc/43/02/71/309430271.db2.gz GBVLNVWRRKEEJB-UHFFFAOYSA-N 2 2 346.421 3.395 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000424277749 309435998 /nfs/dbraw/zinc/43/59/98/309435998.db2.gz AUILGFLNOSVRGY-VXGBXAGGSA-N 2 2 349.784 3.157 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000425950886 309495606 /nfs/dbraw/zinc/49/56/06/309495606.db2.gz LIQQNSOBPPNDRA-QWHCGFSZSA-N 2 2 335.883 3.077 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OC(F)F ZINC000427877267 309537505 /nfs/dbraw/zinc/53/75/05/309537505.db2.gz OGVCQISTBIWYJY-DGCLKSJQSA-N 2 2 337.370 3.159 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@]1(C)CCCO1 ZINC000428251489 309545795 /nfs/dbraw/zinc/54/57/95/309545795.db2.gz ZYBCOYZDFLFKBJ-DLBZAZTESA-N 2 2 326.550 3.285 20 0 EGADLP C[NH+](C)[C@@H](CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000431763390 309642208 /nfs/dbraw/zinc/64/22/08/309642208.db2.gz AXAUBBPVWQCESC-IRXDYDNUSA-N 2 2 326.444 3.156 20 0 EGADLP CC(C)c1nc(N(C)[C@@H](C)C[NH+]2CCOCC2)cc(C(C)(C)C)[nH+]1 ZINC000432928722 309673447 /nfs/dbraw/zinc/67/34/47/309673447.db2.gz OEEJSUOUKNSZAQ-HNNXBMFYSA-N 2 2 334.508 3.054 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000444663250 309924837 /nfs/dbraw/zinc/92/48/37/309924837.db2.gz KPHLYPPLLYXPOG-UHFFFAOYSA-N 2 2 338.480 3.471 20 0 EGADLP c1cc2c(o1)CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000447539268 309981292 /nfs/dbraw/zinc/98/12/92/309981292.db2.gz GJNGQTWWTDNTET-HXUWFJFHSA-N 2 2 339.483 3.459 20 0 EGADLP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449009458 310028449 /nfs/dbraw/zinc/02/84/49/310028449.db2.gz IJLAGZIOQRMHHH-UHFFFAOYSA-N 2 2 342.462 3.286 20 0 EGADLP C[C@H](C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018164 310029504 /nfs/dbraw/zinc/02/95/04/310029504.db2.gz ROJKWRVBUVBNHH-HUUCEWRRSA-N 2 2 338.442 3.253 20 0 EGADLP C[C@H](C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449018164 310029505 /nfs/dbraw/zinc/02/95/05/310029505.db2.gz ROJKWRVBUVBNHH-HUUCEWRRSA-N 2 2 338.442 3.253 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000449120392 310038398 /nfs/dbraw/zinc/03/83/98/310038398.db2.gz CTXLIOOWHWMTAU-KRWDZBQOSA-N 2 2 346.519 3.102 20 0 EGADLP COCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000449146058 310040115 /nfs/dbraw/zinc/04/01/15/310040115.db2.gz ZSXUHNUJNULJSF-KMEYYKJISA-N 2 2 331.504 3.087 20 0 EGADLP COCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000449146058 310040116 /nfs/dbraw/zinc/04/01/16/310040116.db2.gz ZSXUHNUJNULJSF-KMEYYKJISA-N 2 2 331.504 3.087 20 0 EGADLP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000449256641 310047926 /nfs/dbraw/zinc/04/79/26/310047926.db2.gz FBFOBVYAMAIVSG-GFCCVEGCSA-N 2 2 328.416 3.250 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCc4c3cccc4O)sc2C1 ZINC000449387559 310058023 /nfs/dbraw/zinc/05/80/23/310058023.db2.gz LZIKOVIQQWGHED-HNNXBMFYSA-N 2 2 343.496 3.392 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCc4c3cccc4O)sc2C1 ZINC000449387559 310058024 /nfs/dbraw/zinc/05/80/24/310058024.db2.gz LZIKOVIQQWGHED-HNNXBMFYSA-N 2 2 343.496 3.392 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388223 310058147 /nfs/dbraw/zinc/05/81/47/310058147.db2.gz OQISLISKHKDURF-UONOGXRCSA-N 2 2 345.314 3.361 20 0 EGADLP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388223 310058148 /nfs/dbraw/zinc/05/81/48/310058148.db2.gz OQISLISKHKDURF-UONOGXRCSA-N 2 2 345.314 3.361 20 0 EGADLP CC(C)[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCO1 ZINC000449489514 310066263 /nfs/dbraw/zinc/06/62/63/310066263.db2.gz AFUKCULKOUTZIG-YLJYHZDGSA-N 2 2 331.504 3.087 20 0 EGADLP COCc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000449787558 310087372 /nfs/dbraw/zinc/08/73/72/310087372.db2.gz VQEWWKYCFSABCV-UHFFFAOYSA-N 2 2 334.382 3.275 20 0 EGADLP COCc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000449787558 310087373 /nfs/dbraw/zinc/08/73/73/310087373.db2.gz VQEWWKYCFSABCV-UHFFFAOYSA-N 2 2 334.382 3.275 20 0 EGADLP COc1cccc2c1cc[nH+]c2N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000450321394 310115311 /nfs/dbraw/zinc/11/53/11/310115311.db2.gz RUDDMZAQCZEECJ-UHFFFAOYSA-N 2 2 336.439 3.436 20 0 EGADLP C[NH+]1CCC([C@H]2CCN(c3[nH+]cnc4[nH]c5ccccc5c43)C2)CC1 ZINC000450409217 310120743 /nfs/dbraw/zinc/12/07/43/310120743.db2.gz VPPKVNRDKSAVDM-HNNXBMFYSA-N 2 2 335.455 3.279 20 0 EGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000450532709 310128591 /nfs/dbraw/zinc/12/85/91/310128591.db2.gz XRANEAXGUWRUJU-STQMWFEESA-N 2 2 349.837 3.327 20 0 EGADLP C[C@H](c1csnn1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450651756 310135281 /nfs/dbraw/zinc/13/52/81/310135281.db2.gz LXFMNZDWBMBISS-CQSZACIVSA-N 2 2 331.489 3.233 20 0 EGADLP C[C@H](c1csnn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000450651756 310135282 /nfs/dbraw/zinc/13/52/82/310135282.db2.gz LXFMNZDWBMBISS-CQSZACIVSA-N 2 2 331.489 3.233 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC2CC(F)(F)C2)[C@@H]1c1cnn(C)c1 ZINC000450795189 310142835 /nfs/dbraw/zinc/14/28/35/310142835.db2.gz TUZXIDISJSBSDJ-DOTOQJQBSA-N 2 2 340.462 3.170 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC2CC(F)(F)C2)[C@@H]1c1cnn(C)c1 ZINC000450795189 310142836 /nfs/dbraw/zinc/14/28/36/310142836.db2.gz TUZXIDISJSBSDJ-DOTOQJQBSA-N 2 2 340.462 3.170 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC2CC(F)(F)C2)[C@@H]1c1cnn(C)c1 ZINC000450795189 310142837 /nfs/dbraw/zinc/14/28/37/310142837.db2.gz TUZXIDISJSBSDJ-DOTOQJQBSA-N 2 2 340.462 3.170 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC2CC(F)(F)C2)[C@@H]1c1cnn(C)c1 ZINC000450795189 310142838 /nfs/dbraw/zinc/14/28/38/310142838.db2.gz TUZXIDISJSBSDJ-DOTOQJQBSA-N 2 2 340.462 3.170 20 0 EGADLP c1coc(CN(CC[NH+]2CCOCC2)c2cc[nH+]c3ccsc32)c1 ZINC000450939999 310151081 /nfs/dbraw/zinc/15/10/81/310151081.db2.gz MFQQIIAVJJARNP-UHFFFAOYSA-N 2 2 343.452 3.228 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451697899 310192989 /nfs/dbraw/zinc/19/29/89/310192989.db2.gz IVADLDQVYMISFM-KPFFTGBYSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451697899 310192990 /nfs/dbraw/zinc/19/29/90/310192990.db2.gz IVADLDQVYMISFM-KPFFTGBYSA-N 2 2 325.456 3.164 20 0 EGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106585 310258412 /nfs/dbraw/zinc/25/84/12/310258412.db2.gz HEDQVFHMKACUMZ-ZWKOTPCHSA-N 2 2 349.906 3.111 20 0 EGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000453106585 310258413 /nfs/dbraw/zinc/25/84/13/310258413.db2.gz HEDQVFHMKACUMZ-ZWKOTPCHSA-N 2 2 349.906 3.111 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000453109768 310258525 /nfs/dbraw/zinc/25/85/25/310258525.db2.gz AQZNQURXPJTXLX-VQIMIIECSA-N 2 2 330.497 3.344 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000453109768 310258526 /nfs/dbraw/zinc/25/85/26/310258526.db2.gz AQZNQURXPJTXLX-VQIMIIECSA-N 2 2 330.497 3.344 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)Nc1cccc(NC(=O)C[NH+](CC)CC)c1 ZINC000453212087 310264479 /nfs/dbraw/zinc/26/44/79/310264479.db2.gz BSMGDSCWENOTSD-OAHLLOKOSA-N 2 2 343.475 3.356 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CCCC1 ZINC000453273334 310268732 /nfs/dbraw/zinc/26/87/32/310268732.db2.gz VSDPIADYXACWMX-WIYYLYMNSA-N 2 2 346.515 3.363 20 0 EGADLP COc1ccccc1[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CCCC1 ZINC000453273334 310268733 /nfs/dbraw/zinc/26/87/33/310268733.db2.gz VSDPIADYXACWMX-WIYYLYMNSA-N 2 2 346.515 3.363 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393584 310274737 /nfs/dbraw/zinc/27/47/37/310274737.db2.gz VHGRHTUVWVBTCG-MJGOQNOKSA-N 2 2 345.531 3.213 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000453393584 310274738 /nfs/dbraw/zinc/27/47/38/310274738.db2.gz VHGRHTUVWVBTCG-MJGOQNOKSA-N 2 2 345.531 3.213 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CC[C@H](C)O3)c[nH+]c12 ZINC000453622955 310285401 /nfs/dbraw/zinc/28/54/01/310285401.db2.gz BBYNHNQBFFUPQI-SMDDNHRTSA-N 2 2 338.249 3.062 20 0 EGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000454488252 310312329 /nfs/dbraw/zinc/31/23/29/310312329.db2.gz PXMWWBHSJDWKCE-KRWDZBQOSA-N 2 2 346.519 3.398 20 0 EGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000454488252 310312330 /nfs/dbraw/zinc/31/23/30/310312330.db2.gz PXMWWBHSJDWKCE-KRWDZBQOSA-N 2 2 346.519 3.398 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000454627278 310320854 /nfs/dbraw/zinc/32/08/54/310320854.db2.gz WDICWIISXKMNOA-JKSUJKDBSA-N 2 2 337.512 3.020 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH+]1 ZINC000454631887 310321148 /nfs/dbraw/zinc/32/11/48/310321148.db2.gz OKBNLTMYGFAZPD-KUHUBIRLSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c[nH+]1 ZINC000454713757 310325354 /nfs/dbraw/zinc/32/53/54/310325354.db2.gz LOYFHHCGDNOKKN-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c[nH+]1 ZINC000454713757 310325355 /nfs/dbraw/zinc/32/53/55/310325355.db2.gz LOYFHHCGDNOKKN-SFHVURJKSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504433 310364293 /nfs/dbraw/zinc/36/42/93/310364293.db2.gz WOMNHKHVCOPXSH-FUHWJXTLSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504433 310364294 /nfs/dbraw/zinc/36/42/94/310364294.db2.gz WOMNHKHVCOPXSH-FUHWJXTLSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504437 310364309 /nfs/dbraw/zinc/36/43/09/310364309.db2.gz WOMNHKHVCOPXSH-WMZOPIPTSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)[nH+]1 ZINC000455504437 310364310 /nfs/dbraw/zinc/36/43/10/310364310.db2.gz WOMNHKHVCOPXSH-WMZOPIPTSA-N 2 2 342.487 3.487 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000456341691 310399652 /nfs/dbraw/zinc/39/96/52/310399652.db2.gz DIYGSHGMEWDHAD-MRXNPFEDSA-N 2 2 340.471 3.380 20 0 EGADLP CCOC(=O)[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(C)c1C ZINC000459633862 310565393 /nfs/dbraw/zinc/56/53/93/310565393.db2.gz VLPZPDZZMCMCPI-LJQANCHMSA-N 2 2 343.471 3.483 20 0 EGADLP Cc1cc2[nH]c(C[NH2+]CCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c(C)c1 ZINC000479539929 310877456 /nfs/dbraw/zinc/87/74/56/310877456.db2.gz HWWUBCKWQNMGSF-IAGOWNOFSA-N 2 2 329.488 3.374 20 0 EGADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1I ZINC000481948836 310924008 /nfs/dbraw/zinc/92/40/08/310924008.db2.gz BPQUWIIRMYQXHV-VXGBXAGGSA-N 2 2 346.256 3.282 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[NH+](C)C)cc1 ZINC000488116371 311052005 /nfs/dbraw/zinc/05/20/05/311052005.db2.gz IIUSVUKNECTQMM-WCIQWLHISA-N 2 2 328.500 3.399 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784971 311120331 /nfs/dbraw/zinc/12/03/31/311120331.db2.gz YUEGHBUVNIRHQX-HKUYNNGSSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784971 311120333 /nfs/dbraw/zinc/12/03/33/311120333.db2.gz YUEGHBUVNIRHQX-HKUYNNGSSA-N 2 2 346.519 3.075 20 0 EGADLP Brc1ccc2[nH+]ccc(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000489878031 311123789 /nfs/dbraw/zinc/12/37/89/311123789.db2.gz AUAIGOKYFVLEBG-GFCCVEGCSA-N 2 2 343.228 3.043 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000492290151 311234449 /nfs/dbraw/zinc/23/44/49/311234449.db2.gz GNMSFBPMBWRGNY-DOTOQJQBSA-N 2 2 344.528 3.457 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)s1 ZINC000492290151 311234450 /nfs/dbraw/zinc/23/44/50/311234450.db2.gz GNMSFBPMBWRGNY-DOTOQJQBSA-N 2 2 344.528 3.457 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000492703056 311282057 /nfs/dbraw/zinc/28/20/57/311282057.db2.gz HUEVWRZJSVTOTB-MDZDMXLPSA-N 2 2 332.492 3.077 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000492745708 311286475 /nfs/dbraw/zinc/28/64/75/311286475.db2.gz RRMXCDZICCIROI-ZHACJKMWSA-N 2 2 332.492 3.029 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC000492865889 311300929 /nfs/dbraw/zinc/30/09/29/311300929.db2.gz VWAFFZFCOUSUNI-ZBTGYSDGSA-N 2 2 338.455 3.203 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(Cl)c1OC ZINC000494407716 311475978 /nfs/dbraw/zinc/47/59/78/311475978.db2.gz ARFZFNVHZFZBFC-ZDUSSCGKSA-N 2 2 335.835 3.048 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(C(=O)N(C)C)cc1 ZINC000494893018 311520975 /nfs/dbraw/zinc/52/09/75/311520975.db2.gz MFIYUKRHMHJWSC-MRXNPFEDSA-N 2 2 348.450 3.425 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474290 312049949 /nfs/dbraw/zinc/04/99/49/312049949.db2.gz MFNWMHHLHGEZOF-FYQPLNBISA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474290 312049950 /nfs/dbraw/zinc/04/99/50/312049950.db2.gz MFNWMHHLHGEZOF-FYQPLNBISA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474290 312049952 /nfs/dbraw/zinc/04/99/52/312049952.db2.gz MFNWMHHLHGEZOF-FYQPLNBISA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474290 312049954 /nfs/dbraw/zinc/04/99/54/312049954.db2.gz MFNWMHHLHGEZOF-FYQPLNBISA-N 2 2 349.563 3.268 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506489538 312050267 /nfs/dbraw/zinc/05/02/67/312050267.db2.gz VTDVYFRKPVKOCI-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506489538 312050270 /nfs/dbraw/zinc/05/02/70/312050270.db2.gz VTDVYFRKPVKOCI-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506489538 312050272 /nfs/dbraw/zinc/05/02/72/312050272.db2.gz VTDVYFRKPVKOCI-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506489538 312050273 /nfs/dbraw/zinc/05/02/73/312050273.db2.gz VTDVYFRKPVKOCI-VAMGGRTRSA-N 2 2 349.563 3.364 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+](CCc2cccs2)CC1 ZINC000507081782 312057998 /nfs/dbraw/zinc/05/79/98/312057998.db2.gz NACYRJBVXLMHPM-UHFFFAOYSA-N 2 2 340.496 3.065 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722198 312100854 /nfs/dbraw/zinc/10/08/54/312100854.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508722198 312100856 /nfs/dbraw/zinc/10/08/56/312100856.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722198 312100860 /nfs/dbraw/zinc/10/08/60/312100860.db2.gz RLASPVPVOSFYOW-HLAWJBBLSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C(C1CC1)C1CC1 ZINC000509261744 312113157 /nfs/dbraw/zinc/11/31/57/312113157.db2.gz DPBPYCMSNNTJDW-UHFFFAOYSA-N 2 2 327.516 3.319 20 0 EGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C(C1CC1)C1CC1 ZINC000509261744 312113159 /nfs/dbraw/zinc/11/31/59/312113159.db2.gz DPBPYCMSNNTJDW-UHFFFAOYSA-N 2 2 327.516 3.319 20 0 EGADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000509879280 312128637 /nfs/dbraw/zinc/12/86/37/312128637.db2.gz SIQHMQUSIGMEIZ-INIZCTEOSA-N 2 2 334.529 3.274 20 0 EGADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670361 312146222 /nfs/dbraw/zinc/14/62/22/312146222.db2.gz XDLRPWCFNOORDN-RHSMWYFYSA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000510670361 312146224 /nfs/dbraw/zinc/14/62/24/312146224.db2.gz XDLRPWCFNOORDN-RHSMWYFYSA-N 2 2 344.421 3.337 20 0 EGADLP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Oc1ccccc1 ZINC000513232667 312205125 /nfs/dbraw/zinc/20/51/25/312205125.db2.gz IZSMYFWZIVELIB-UHFFFAOYSA-N 2 2 325.456 3.498 20 0 EGADLP COc1cccc(C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C2CC2)c1 ZINC000513377537 312208685 /nfs/dbraw/zinc/20/86/85/312208685.db2.gz MIJOFQVQTATWNQ-OALUTQOASA-N 2 2 334.529 3.043 20 0 EGADLP CC(C)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000513412032 312209593 /nfs/dbraw/zinc/20/95/93/312209593.db2.gz SQJHLMWXINBENS-HXUWFJFHSA-N 2 2 346.515 3.266 20 0 EGADLP CC(C)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000513412032 312209596 /nfs/dbraw/zinc/20/95/96/312209596.db2.gz SQJHLMWXINBENS-HXUWFJFHSA-N 2 2 346.515 3.266 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000514003968 312221800 /nfs/dbraw/zinc/22/18/00/312221800.db2.gz YFMKJFMWTNUSND-UHFFFAOYSA-N 2 2 325.541 3.220 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000514003968 312221801 /nfs/dbraw/zinc/22/18/01/312221801.db2.gz YFMKJFMWTNUSND-UHFFFAOYSA-N 2 2 325.541 3.220 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000514009233 312222236 /nfs/dbraw/zinc/22/22/36/312222236.db2.gz BCNPWCXERQZDND-QGZVFWFLSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000514009233 312222239 /nfs/dbraw/zinc/22/22/39/312222239.db2.gz BCNPWCXERQZDND-QGZVFWFLSA-N 2 2 345.531 3.231 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1OC ZINC000514909700 312252948 /nfs/dbraw/zinc/25/29/48/312252948.db2.gz FINOQWAGJUGZHD-YJBOKZPZSA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1OC ZINC000514909700 312252949 /nfs/dbraw/zinc/25/29/49/312252949.db2.gz FINOQWAGJUGZHD-YJBOKZPZSA-N 2 2 332.488 3.241 20 0 EGADLP CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000515188009 312270120 /nfs/dbraw/zinc/27/01/20/312270120.db2.gz JQBRHBNZYUDWEZ-KBPBESRZSA-N 2 2 343.393 3.335 20 0 EGADLP c1cn(-c2csc(C[NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)c2)c[nH+]1 ZINC000515459009 312283779 /nfs/dbraw/zinc/28/37/79/312283779.db2.gz ZTDMPZHDPYATIF-QAPCUYQASA-N 2 2 340.452 3.339 20 0 EGADLP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000515863274 312301293 /nfs/dbraw/zinc/30/12/93/312301293.db2.gz UHLQAFRLUXJFLM-KRWDZBQOSA-N 2 2 349.482 3.112 20 0 EGADLP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000515863274 312301295 /nfs/dbraw/zinc/30/12/95/312301295.db2.gz UHLQAFRLUXJFLM-KRWDZBQOSA-N 2 2 349.482 3.112 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)s1 ZINC000516562079 312329641 /nfs/dbraw/zinc/32/96/41/312329641.db2.gz LUQQGNBOJFHRSY-GDBMZVCRSA-N 2 2 345.512 3.434 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC000516965511 312355318 /nfs/dbraw/zinc/35/53/18/312355318.db2.gz YSENVSRNEPIWAG-OXJNMPFZSA-N 2 2 344.474 3.448 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3[C@H](C)CCC[C@@H]3C)c2cc1C ZINC000521219861 312537370 /nfs/dbraw/zinc/53/73/70/312537370.db2.gz URQJUCBQFVTUCB-AMVBQIFNSA-N 2 2 329.488 3.428 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000528731449 313158517 /nfs/dbraw/zinc/15/85/17/313158517.db2.gz RPCJRTMJFZORRJ-UHFFFAOYSA-N 2 2 342.405 3.392 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccsc1C(F)(F)F ZINC000529533630 313347186 /nfs/dbraw/zinc/34/71/86/313347186.db2.gz BHMMTNVGYQLNAP-MGPQQGTHSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccsc1C(F)(F)F ZINC000529533630 313347189 /nfs/dbraw/zinc/34/71/89/313347189.db2.gz BHMMTNVGYQLNAP-MGPQQGTHSA-N 2 2 348.434 3.450 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000532195740 313766673 /nfs/dbraw/zinc/76/66/73/313766673.db2.gz UVWNXFQNHREPNZ-HNNXBMFYSA-N 2 2 341.459 3.298 20 0 EGADLP CSc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1F ZINC000090047395 454267052 /nfs/dbraw/zinc/26/70/52/454267052.db2.gz JGGLYMZFKNGAET-KGLIPLIRSA-N 2 2 326.481 3.309 20 0 EGADLP CCN(C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC000534125974 313954091 /nfs/dbraw/zinc/95/40/91/313954091.db2.gz MRXDEBJUPBMCDY-UHFFFAOYSA-N 2 2 344.503 3.139 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863043 314003001 /nfs/dbraw/zinc/00/30/01/314003001.db2.gz UUNNPMRRGXTFHC-FUHWJXTLSA-N 2 2 344.503 3.138 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312355 314039783 /nfs/dbraw/zinc/03/97/83/314039783.db2.gz FKBJKTCNWDRJMY-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535312355 314039785 /nfs/dbraw/zinc/03/97/85/314039785.db2.gz FKBJKTCNWDRJMY-ZIAGYGMSSA-N 2 2 346.862 3.198 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372519 314109576 /nfs/dbraw/zinc/10/95/76/314109576.db2.gz STMOQLGZCIYEIT-CGZBRXJRSA-N 2 2 344.503 3.041 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000536372417 314109789 /nfs/dbraw/zinc/10/97/89/314109789.db2.gz XYQDDMQTEUCFQB-UHFFFAOYSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536853990 314150013 /nfs/dbraw/zinc/15/00/13/314150013.db2.gz WSYZYHVVUDLKCV-DNVCBOLYSA-N 2 2 348.918 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000536853990 314150016 /nfs/dbraw/zinc/15/00/16/314150016.db2.gz WSYZYHVVUDLKCV-DNVCBOLYSA-N 2 2 348.918 3.461 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000536857137 314150844 /nfs/dbraw/zinc/15/08/44/314150844.db2.gz IWOCRSOHAZGANE-INMHGKMJSA-N 2 2 334.529 3.496 20 0 EGADLP COc1ccccc1SC[C@H](C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000536857137 314150846 /nfs/dbraw/zinc/15/08/46/314150846.db2.gz IWOCRSOHAZGANE-INMHGKMJSA-N 2 2 334.529 3.496 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063240 314225418 /nfs/dbraw/zinc/22/54/18/314225418.db2.gz SZRRIPGDCBXWNE-VQTJNVASSA-N 2 2 334.504 3.339 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000538063240 314225422 /nfs/dbraw/zinc/22/54/22/314225422.db2.gz SZRRIPGDCBXWNE-VQTJNVASSA-N 2 2 334.504 3.339 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000539496520 314317115 /nfs/dbraw/zinc/31/71/15/314317115.db2.gz NCZYJOZYRPWVNM-CVEARBPZSA-N 2 2 329.488 3.200 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000539496520 314317118 /nfs/dbraw/zinc/31/71/18/314317118.db2.gz NCZYJOZYRPWVNM-CVEARBPZSA-N 2 2 329.488 3.200 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)C2 ZINC000540594929 314390658 /nfs/dbraw/zinc/39/06/58/314390658.db2.gz JUQVAWFPMUMZQX-SFUIVIKGSA-N 2 2 343.515 3.433 20 0 EGADLP C[C@@H](C[NH2+]Cc1conc1Cc1ccccc1)C[NH+]1CCCCC1 ZINC000550095688 315116150 /nfs/dbraw/zinc/11/61/50/315116150.db2.gz BMOZSPICMZYQCO-KRWDZBQOSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000550393197 315126657 /nfs/dbraw/zinc/12/66/57/315126657.db2.gz UBHMQNCIVLVJTA-HNNXBMFYSA-N 2 2 337.427 3.270 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000550393197 315126660 /nfs/dbraw/zinc/12/66/60/315126660.db2.gz UBHMQNCIVLVJTA-HNNXBMFYSA-N 2 2 337.427 3.270 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000552048594 315192867 /nfs/dbraw/zinc/19/28/67/315192867.db2.gz XPYBMPFZIGSHHV-LAUBAEHRSA-N 2 2 339.483 3.305 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000552048594 315192870 /nfs/dbraw/zinc/19/28/70/315192870.db2.gz XPYBMPFZIGSHHV-LAUBAEHRSA-N 2 2 339.483 3.305 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000554724498 315345528 /nfs/dbraw/zinc/34/55/28/315345528.db2.gz FBBHSPCJMRFJDP-TYPHKJRUSA-N 2 2 327.516 3.285 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000555536856 315388680 /nfs/dbraw/zinc/38/86/80/315388680.db2.gz BBXALJSVKIDRIU-AWEZNQCLSA-N 2 2 337.305 3.380 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000555536856 315388681 /nfs/dbraw/zinc/38/86/81/315388681.db2.gz BBXALJSVKIDRIU-AWEZNQCLSA-N 2 2 337.305 3.380 20 0 EGADLP c1cn(Cc2ccc(NCc3cccc4c3OCCCO4)[nH+]c2)c[nH+]1 ZINC000556810540 315468593 /nfs/dbraw/zinc/46/85/93/315468593.db2.gz RGWKKIISZLCKGR-UHFFFAOYSA-N 2 2 336.395 3.100 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000557032303 315491540 /nfs/dbraw/zinc/49/15/40/315491540.db2.gz IYPRMECXNJJVNZ-CQSZACIVSA-N 2 2 325.294 3.238 20 0 EGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(=O)OC)cc1 ZINC000559844194 315647034 /nfs/dbraw/zinc/64/70/34/315647034.db2.gz NFWMFZRFEFXVJC-QGZVFWFLSA-N 2 2 327.428 3.247 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358084 316005357 /nfs/dbraw/zinc/00/53/57/316005357.db2.gz YJHMKSMFMZYKAZ-DLBZAZTESA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358084 316005358 /nfs/dbraw/zinc/00/53/58/316005358.db2.gz YJHMKSMFMZYKAZ-DLBZAZTESA-N 2 2 340.471 3.162 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)ccn12 ZINC000563369818 316008810 /nfs/dbraw/zinc/00/88/10/316008810.db2.gz QNODRRZVTARBLZ-LJQANCHMSA-N 2 2 348.450 3.210 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)cc2[nH+]c1C1CC1 ZINC000563960458 316097362 /nfs/dbraw/zinc/09/73/62/316097362.db2.gz RZUQQOMGAALLJB-IBGZPJMESA-N 2 2 346.434 3.276 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000564612314 316174998 /nfs/dbraw/zinc/17/49/98/316174998.db2.gz WZFKYTMSSZJIDX-HXUWFJFHSA-N 2 2 342.483 3.473 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000564612314 316175000 /nfs/dbraw/zinc/17/50/00/316175000.db2.gz WZFKYTMSSZJIDX-HXUWFJFHSA-N 2 2 342.483 3.473 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000564869879 316222863 /nfs/dbraw/zinc/22/28/63/316222863.db2.gz LMJACLLIVQDBSP-INIZCTEOSA-N 2 2 341.455 3.347 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000564872794 316223763 /nfs/dbraw/zinc/22/37/63/316223763.db2.gz HZILWXAWJFYHPB-SFHVURJKSA-N 2 2 342.483 3.172 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000564872794 316223767 /nfs/dbraw/zinc/22/37/67/316223767.db2.gz HZILWXAWJFYHPB-SFHVURJKSA-N 2 2 342.483 3.172 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc12 ZINC000565674105 316355172 /nfs/dbraw/zinc/35/51/72/316355172.db2.gz GOOBHSIRNCMYFD-LPHOPBHVSA-N 2 2 349.482 3.202 20 0 EGADLP C[C@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c2[nH+]ccn21 ZINC000565936609 316390303 /nfs/dbraw/zinc/39/03/03/316390303.db2.gz QEPWRMCWYIDFJJ-HOTGVXAUSA-N 2 2 347.507 3.233 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566196049 316434815 /nfs/dbraw/zinc/43/48/15/316434815.db2.gz CXGQOSGFKQCLSN-ZBFHGGJFSA-N 2 2 326.444 3.349 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000153772251 454831502 /nfs/dbraw/zinc/83/15/02/454831502.db2.gz QCZMCIZNBXBYJA-ZDUSSCGKSA-N 2 2 327.538 3.368 20 0 EGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781700 317106779 /nfs/dbraw/zinc/10/67/79/317106779.db2.gz JCTZVTGOGANMIF-HKUYNNGSSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000570781700 317106782 /nfs/dbraw/zinc/10/67/82/317106782.db2.gz JCTZVTGOGANMIF-HKUYNNGSSA-N 2 2 336.520 3.053 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000571288559 317179205 /nfs/dbraw/zinc/17/92/05/317179205.db2.gz QGWSPAHFUGVWFI-DOTOQJQBSA-N 2 2 341.503 3.245 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000571288559 317179208 /nfs/dbraw/zinc/17/92/08/317179208.db2.gz QGWSPAHFUGVWFI-DOTOQJQBSA-N 2 2 341.503 3.245 20 0 EGADLP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000572725923 317382192 /nfs/dbraw/zinc/38/21/92/317382192.db2.gz AWLXLDKEGZJVTH-MRXNPFEDSA-N 2 2 344.459 3.194 20 0 EGADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccco1 ZINC000573457818 317488863 /nfs/dbraw/zinc/48/88/63/317488863.db2.gz GLXLIYUIQYIBLT-CZUORRHYSA-N 2 2 340.427 3.095 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000230315193 456135480 /nfs/dbraw/zinc/13/54/80/456135480.db2.gz BKGKBRFRRIXMIP-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386628476 324269103 /nfs/dbraw/zinc/26/91/03/324269103.db2.gz ZNGXYKJQVMPNSC-OAGGEKHMSA-N 2 2 336.480 3.039 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396323789 324293961 /nfs/dbraw/zinc/29/39/61/324293961.db2.gz PWIFSUXVGMSZCT-UHFFFAOYSA-N 2 2 341.377 3.170 20 0 EGADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000576861440 324695877 /nfs/dbraw/zinc/69/58/77/324695877.db2.gz QDOUPUUDLDKRLB-HNAYVOBHSA-N 2 2 329.488 3.293 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000579310631 325090810 /nfs/dbraw/zinc/09/08/10/325090810.db2.gz BXHXLHAPYGLMAO-GOSISDBHSA-N 2 2 348.556 3.495 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000579310631 325090814 /nfs/dbraw/zinc/09/08/14/325090814.db2.gz BXHXLHAPYGLMAO-GOSISDBHSA-N 2 2 348.556 3.495 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000580062299 325197161 /nfs/dbraw/zinc/19/71/61/325197161.db2.gz CDMDRQZRMNQQQN-IXDOHACOSA-N 2 2 341.842 3.180 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000580202379 325217963 /nfs/dbraw/zinc/21/79/63/325217963.db2.gz YWMQZUVOMHEGBF-UHFFFAOYSA-N 2 2 327.259 3.202 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)s2)cn1 ZINC000580713874 325287531 /nfs/dbraw/zinc/28/75/31/325287531.db2.gz MYUVCNMMQUDQOS-IAGOWNOFSA-N 2 2 330.501 3.255 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]3)s2)cn1 ZINC000580713874 325287534 /nfs/dbraw/zinc/28/75/34/325287534.db2.gz MYUVCNMMQUDQOS-IAGOWNOFSA-N 2 2 330.501 3.255 20 0 EGADLP Cc1ccc([C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000581195751 325340746 /nfs/dbraw/zinc/34/07/46/325340746.db2.gz UJEKIALUHQYTSR-MJGOQNOKSA-N 2 2 340.471 3.096 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1ccncc1 ZINC000581233133 325343703 /nfs/dbraw/zinc/34/37/03/325343703.db2.gz WQCJZWAHTBQLSR-ZWKOTPCHSA-N 2 2 338.455 3.150 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CCc4ccccc43)c2cc1C ZINC000581721847 325385879 /nfs/dbraw/zinc/38/58/79/325385879.db2.gz SEEUEYSKXAWEPP-MOPGFXCFSA-N 2 2 349.478 3.334 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000582788903 325469857 /nfs/dbraw/zinc/46/98/57/325469857.db2.gz ONJXOSRPHCZEEI-UHFFFAOYSA-N 2 2 342.405 3.032 20 0 EGADLP C[N@@H+](Cc1cc(Br)cc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000359880044 457138218 /nfs/dbraw/zinc/13/82/18/457138218.db2.gz PGKHDXRHPAGWMJ-HNNXBMFYSA-N 2 2 334.261 3.166 20 0 EGADLP CN(Cc1sccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374807234 457710886 /nfs/dbraw/zinc/71/08/86/457710886.db2.gz AWTPBFJZDDHJRM-AWEZNQCLSA-N 2 2 327.925 3.002 20 0 EGADLP CN(Cc1sccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374807234 457710890 /nfs/dbraw/zinc/71/08/90/457710890.db2.gz AWTPBFJZDDHJRM-AWEZNQCLSA-N 2 2 327.925 3.002 20 0 EGADLP Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)ncc1Br ZINC000623441750 460551942 /nfs/dbraw/zinc/55/19/42/460551942.db2.gz HUAPDXFLARXCMG-UHFFFAOYSA-N 2 2 335.249 3.139 20 0 EGADLP CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OCC ZINC000174002037 455349779 /nfs/dbraw/zinc/34/97/79/455349779.db2.gz LPGXTDKNCQNLRC-LJQANCHMSA-N 2 2 332.488 3.220 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC1CC1 ZINC000623561520 460613958 /nfs/dbraw/zinc/61/39/58/460613958.db2.gz PSWAZIJOLHIPRL-MSOLQXFVSA-N 2 2 330.472 3.343 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC1CC1 ZINC000623561520 460613963 /nfs/dbraw/zinc/61/39/63/460613963.db2.gz PSWAZIJOLHIPRL-MSOLQXFVSA-N 2 2 330.472 3.343 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000030903635 453841416 /nfs/dbraw/zinc/84/14/16/453841416.db2.gz ODPPUHKIOFIQOW-OAQYLSRUSA-N 2 2 338.495 3.121 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000030903635 453841417 /nfs/dbraw/zinc/84/14/17/453841417.db2.gz ODPPUHKIOFIQOW-OAQYLSRUSA-N 2 2 338.495 3.121 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3cnn(Cc4ccccc4)c3)cc2)c[nH+]1 ZINC000030907764 453841848 /nfs/dbraw/zinc/84/18/48/453841848.db2.gz JULHQIAUNOTOAB-UHFFFAOYSA-N 2 2 343.434 3.407 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516259 453881073 /nfs/dbraw/zinc/88/10/73/453881073.db2.gz XRYIHIUPTJLBJY-APWZRJJASA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516259 453881076 /nfs/dbraw/zinc/88/10/76/453881076.db2.gz XRYIHIUPTJLBJY-APWZRJJASA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516259 453881080 /nfs/dbraw/zinc/88/10/80/453881080.db2.gz XRYIHIUPTJLBJY-APWZRJJASA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1 ZINC000081516259 453881082 /nfs/dbraw/zinc/88/10/82/453881082.db2.gz XRYIHIUPTJLBJY-APWZRJJASA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569467 453888975 /nfs/dbraw/zinc/88/89/75/453888975.db2.gz RRGUMZMIBUWHMQ-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569467 453888976 /nfs/dbraw/zinc/88/89/76/453888976.db2.gz RRGUMZMIBUWHMQ-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569467 453888979 /nfs/dbraw/zinc/88/89/79/453888979.db2.gz RRGUMZMIBUWHMQ-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569467 453888982 /nfs/dbraw/zinc/88/89/82/453888982.db2.gz RRGUMZMIBUWHMQ-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCS[C@H](C(C)C)C3)c2cc1C ZINC000076065999 453956384 /nfs/dbraw/zinc/95/63/84/453956384.db2.gz DIZAOSBFGOMMDF-LPHOPBHVSA-N 2 2 347.528 3.087 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCS[C@H](C(C)C)C3)c2cc1C ZINC000076065999 453956387 /nfs/dbraw/zinc/95/63/87/453956387.db2.gz DIZAOSBFGOMMDF-LPHOPBHVSA-N 2 2 347.528 3.087 20 0 EGADLP CCOc1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccc1O ZINC000076272886 453985575 /nfs/dbraw/zinc/98/55/75/453985575.db2.gz VWCLVXDRGMQMTM-UHFFFAOYSA-N 2 2 325.412 3.390 20 0 EGADLP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000042904009 454031124 /nfs/dbraw/zinc/03/11/24/454031124.db2.gz DDCRCYLDBFCNRW-FQEVSTJZSA-N 2 2 347.466 3.398 20 0 EGADLP Cn1c(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc2cc(F)ccc21 ZINC000076894197 454046497 /nfs/dbraw/zinc/04/64/97/454046497.db2.gz RKLDPKLXFXSBEF-UHFFFAOYSA-N 2 2 349.413 3.230 20 0 EGADLP COc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c(OC)c1 ZINC000076901221 454047440 /nfs/dbraw/zinc/04/74/40/454047440.db2.gz LKYJKBJBXHAAMO-UHFFFAOYSA-N 2 2 339.439 3.313 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077225129 454078412 /nfs/dbraw/zinc/07/84/12/454078412.db2.gz XVDLQDPAQJVJFN-MRXNPFEDSA-N 2 2 348.454 3.300 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000088696602 454116496 /nfs/dbraw/zinc/11/64/96/454116496.db2.gz JYKJEJXYNQZHAV-QAPCUYQASA-N 2 2 337.458 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000088696602 454116500 /nfs/dbraw/zinc/11/65/00/454116500.db2.gz JYKJEJXYNQZHAV-QAPCUYQASA-N 2 2 337.458 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccs2)C1 ZINC000088728001 454117778 /nfs/dbraw/zinc/11/77/78/454117778.db2.gz CZUKXYVRDAUXIR-AYBZRNKSSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccs2)C1 ZINC000088728001 454117779 /nfs/dbraw/zinc/11/77/79/454117779.db2.gz CZUKXYVRDAUXIR-AYBZRNKSSA-N 2 2 330.497 3.381 20 0 EGADLP c1sc2ccccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804311 454145782 /nfs/dbraw/zinc/14/57/82/454145782.db2.gz FMADGCKLJOLFCD-MRXNPFEDSA-N 2 2 330.497 3.446 20 0 EGADLP c1sc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804311 454145786 /nfs/dbraw/zinc/14/57/86/454145786.db2.gz FMADGCKLJOLFCD-MRXNPFEDSA-N 2 2 330.497 3.446 20 0 EGADLP CC(C)Cc1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000045806944 454185177 /nfs/dbraw/zinc/18/51/77/454185177.db2.gz ZIZXCBRINIBPMG-UHFFFAOYSA-N 2 2 334.508 3.356 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)o1 ZINC000071857587 454233664 /nfs/dbraw/zinc/23/36/64/454233664.db2.gz FZQPAWOOVDCIDU-HNNXBMFYSA-N 2 2 331.435 3.330 20 0 EGADLP Clc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccon4)CC3)c2c1 ZINC000078451222 454254806 /nfs/dbraw/zinc/25/48/06/454254806.db2.gz QEPYZXGDKLTDCH-UHFFFAOYSA-N 2 2 328.803 3.198 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000090003506 454259820 /nfs/dbraw/zinc/25/98/20/454259820.db2.gz UKVXGTDIYFCGML-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000090003506 454259829 /nfs/dbraw/zinc/25/98/29/454259829.db2.gz UKVXGTDIYFCGML-QGZVFWFLSA-N 2 2 335.455 3.061 20 0 EGADLP Cc1cccn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)nc12 ZINC000090045224 454265561 /nfs/dbraw/zinc/26/55/61/454265561.db2.gz IHFDEDGOSJNHIR-UHFFFAOYSA-N 2 2 348.494 3.439 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000090047471 454266438 /nfs/dbraw/zinc/26/64/38/454266438.db2.gz WQEJBARWDKIPGH-ZIAGYGMSSA-N 2 2 328.403 3.049 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047435 454267217 /nfs/dbraw/zinc/26/72/17/454267217.db2.gz ICHCUXHOBVTXBF-MJGOQNOKSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132119559 454314665 /nfs/dbraw/zinc/31/46/65/454314665.db2.gz HKUIMIKBIJFODI-NQIIRXRSSA-N 2 2 338.499 3.384 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000132119559 454314669 /nfs/dbraw/zinc/31/46/69/454314669.db2.gz HKUIMIKBIJFODI-NQIIRXRSSA-N 2 2 338.499 3.384 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cnn(C)c1 ZINC000090667916 454333885 /nfs/dbraw/zinc/33/38/85/454333885.db2.gz GRVPHYBBKODQOG-KXBFYZLASA-N 2 2 327.476 3.081 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)nnn1-c1ccc(F)cc1 ZINC000090847026 454344913 /nfs/dbraw/zinc/34/49/13/454344913.db2.gz UFAQQTMVOAYBRD-CQSZACIVSA-N 2 2 339.418 3.312 20 0 EGADLP c1ccc2c(c1)CC(CC[NH2+]C1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000090853757 454346490 /nfs/dbraw/zinc/34/64/90/454346490.db2.gz NVWUFZUVTCPUKB-UHFFFAOYSA-N 2 2 335.495 3.441 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284492 454421501 /nfs/dbraw/zinc/42/15/01/454421501.db2.gz BWRSJFHOULLQIL-CHWSQXEVSA-N 2 2 332.879 3.362 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284492 454421506 /nfs/dbraw/zinc/42/15/06/454421506.db2.gz BWRSJFHOULLQIL-CHWSQXEVSA-N 2 2 332.879 3.362 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565172 460811390 /nfs/dbraw/zinc/81/13/90/460811390.db2.gz VQCXMQBNZRHQQM-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000098144568 454462252 /nfs/dbraw/zinc/46/22/52/454462252.db2.gz YODRREKMDYSZNT-SFHVURJKSA-N 2 2 328.456 3.129 20 0 EGADLP C[C@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000134019579 454493381 /nfs/dbraw/zinc/49/33/81/454493381.db2.gz CZCHTLLESNMTJU-OAHLLOKOSA-N 2 2 332.879 3.179 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2OC(F)F)cn1 ZINC000048782253 454515789 /nfs/dbraw/zinc/51/57/89/454515789.db2.gz CMCMNSIJKVZDEY-UHFFFAOYSA-N 2 2 344.365 3.467 20 0 EGADLP C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000080197736 454548995 /nfs/dbraw/zinc/54/89/95/454548995.db2.gz JWWCSMSWEQVTAY-SFHVURJKSA-N 3 2 328.504 3.267 20 0 EGADLP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000080197736 454548998 /nfs/dbraw/zinc/54/89/98/454548998.db2.gz JWWCSMSWEQVTAY-SFHVURJKSA-N 3 2 328.504 3.267 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000080339162 454568281 /nfs/dbraw/zinc/56/82/81/454568281.db2.gz BRNLZMORABICHX-MJGOQNOKSA-N 2 2 334.467 3.477 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000080339162 454568287 /nfs/dbraw/zinc/56/82/87/454568287.db2.gz BRNLZMORABICHX-MJGOQNOKSA-N 2 2 334.467 3.477 20 0 EGADLP CN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448080 454583804 /nfs/dbraw/zinc/58/38/04/454583804.db2.gz PGCQLXLUOFSPFP-IBGZPJMESA-N 2 2 348.450 3.071 20 0 EGADLP CN(C(=O)c1ccc2[nH+]ccn2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448080 454583806 /nfs/dbraw/zinc/58/38/06/454583806.db2.gz PGCQLXLUOFSPFP-IBGZPJMESA-N 2 2 348.450 3.071 20 0 EGADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123566161 454653118 /nfs/dbraw/zinc/65/31/18/454653118.db2.gz PVKQQLHGUPUCJX-SFHVURJKSA-N 2 2 327.472 3.452 20 0 EGADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123566161 454653125 /nfs/dbraw/zinc/65/31/25/454653125.db2.gz PVKQQLHGUPUCJX-SFHVURJKSA-N 2 2 327.472 3.452 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958801 454657833 /nfs/dbraw/zinc/65/78/33/454657833.db2.gz NCEKAEGYVWMFLA-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958801 454657837 /nfs/dbraw/zinc/65/78/37/454657837.db2.gz NCEKAEGYVWMFLA-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)C1 ZINC000623626601 460648269 /nfs/dbraw/zinc/64/82/69/460648269.db2.gz ZRQJYDODKPKDTM-NXHRZFHOSA-N 2 2 337.458 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)C1 ZINC000623626601 460648273 /nfs/dbraw/zinc/64/82/73/460648273.db2.gz ZRQJYDODKPKDTM-NXHRZFHOSA-N 2 2 337.458 3.141 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)CC(C)C ZINC000106525508 454699003 /nfs/dbraw/zinc/69/90/03/454699003.db2.gz PUIKDCACVSKLEO-SJORKVTESA-N 2 2 349.523 3.403 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000093412892 454712951 /nfs/dbraw/zinc/71/29/51/454712951.db2.gz NTJLABVVJIWXJU-UHFFFAOYSA-N 2 2 339.483 3.027 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000093412892 454712953 /nfs/dbraw/zinc/71/29/53/454712953.db2.gz NTJLABVVJIWXJU-UHFFFAOYSA-N 2 2 339.483 3.027 20 0 EGADLP COc1cc(C)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1OC ZINC000152746389 454720276 /nfs/dbraw/zinc/72/02/76/454720276.db2.gz JYEXJXIJMYEGDD-HNNXBMFYSA-N 2 2 343.471 3.438 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000136290888 454733952 /nfs/dbraw/zinc/73/39/52/454733952.db2.gz AHGRPEVDSWHCKU-AWEZNQCLSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000136323459 454735640 /nfs/dbraw/zinc/73/56/40/454735640.db2.gz BKDOSNVGOQGTDN-WAOWUJCRSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000136323459 454735642 /nfs/dbraw/zinc/73/56/42/454735642.db2.gz BKDOSNVGOQGTDN-WAOWUJCRSA-N 3 2 340.515 3.328 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494872 454752042 /nfs/dbraw/zinc/75/20/42/454752042.db2.gz BWIYZXTYWKCMNP-ABSDTBQOSA-N 3 2 326.488 3.253 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000176494872 454752045 /nfs/dbraw/zinc/75/20/45/454752045.db2.gz BWIYZXTYWKCMNP-ABSDTBQOSA-N 3 2 326.488 3.253 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cncs1 ZINC000124668595 454758737 /nfs/dbraw/zinc/75/87/37/454758737.db2.gz CJRUSMPXLHXFMV-MRXNPFEDSA-N 2 2 330.501 3.006 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1)C[NH+]1CCOCC1 ZINC000153325975 454782678 /nfs/dbraw/zinc/78/26/78/454782678.db2.gz WZVOFMJAMMCWIT-HZPDHXFCSA-N 2 2 345.512 3.429 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cn2)c1 ZINC000162664357 454791830 /nfs/dbraw/zinc/79/18/30/454791830.db2.gz JPXPWKOPWNKJDQ-RDJZCZTQSA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cn2)c1 ZINC000162664357 454791835 /nfs/dbraw/zinc/79/18/35/454791835.db2.gz JPXPWKOPWNKJDQ-RDJZCZTQSA-N 2 2 341.455 3.455 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153416312 454792085 /nfs/dbraw/zinc/79/20/85/454792085.db2.gz HRVJLMRXLGDZHG-RCCFBDPRSA-N 2 2 335.561 3.451 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153416312 454792087 /nfs/dbraw/zinc/79/20/87/454792087.db2.gz HRVJLMRXLGDZHG-RCCFBDPRSA-N 2 2 335.561 3.451 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000163197275 454829057 /nfs/dbraw/zinc/82/90/57/454829057.db2.gz NMHPZQHLOYOFGZ-AHRSYUTCSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000163197275 454829060 /nfs/dbraw/zinc/82/90/60/454829060.db2.gz NMHPZQHLOYOFGZ-AHRSYUTCSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000163197275 454829061 /nfs/dbraw/zinc/82/90/61/454829061.db2.gz NMHPZQHLOYOFGZ-AHRSYUTCSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000163197275 454829064 /nfs/dbraw/zinc/82/90/64/454829064.db2.gz NMHPZQHLOYOFGZ-AHRSYUTCSA-N 2 2 342.483 3.158 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000153772251 454831500 /nfs/dbraw/zinc/83/15/00/454831500.db2.gz QCZMCIZNBXBYJA-ZDUSSCGKSA-N 2 2 327.538 3.368 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796339 454836983 /nfs/dbraw/zinc/83/69/83/454836983.db2.gz RUWMKFGCTNOBBZ-CYBMUJFWSA-N 2 2 332.835 3.201 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000109786964 454837198 /nfs/dbraw/zinc/83/71/98/454837198.db2.gz ZRSXSURHBLRAMH-INIZCTEOSA-N 2 2 349.494 3.151 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000109786964 454837202 /nfs/dbraw/zinc/83/72/02/454837202.db2.gz ZRSXSURHBLRAMH-INIZCTEOSA-N 2 2 349.494 3.151 20 0 EGADLP CO[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000163492286 454850866 /nfs/dbraw/zinc/85/08/66/454850866.db2.gz JEASYCMUQBWBKI-QGZVFWFLSA-N 2 2 346.394 3.010 20 0 EGADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000177358142 454855644 /nfs/dbraw/zinc/85/56/44/454855644.db2.gz GDDICHWXNJLDPS-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP Cc1csc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000126235733 454879472 /nfs/dbraw/zinc/87/94/72/454879472.db2.gz UEGSDIDFLIZADM-UHFFFAOYSA-N 2 2 333.476 3.387 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000191386634 455481800 /nfs/dbraw/zinc/48/18/00/455481800.db2.gz CCLJTAAGZGGTAH-IBGZPJMESA-N 2 2 330.520 3.377 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000191386634 455481806 /nfs/dbraw/zinc/48/18/06/455481806.db2.gz CCLJTAAGZGGTAH-IBGZPJMESA-N 2 2 330.520 3.377 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000178719008 454969212 /nfs/dbraw/zinc/96/92/12/454969212.db2.gz HJIPBTQGGUYCQY-HZPDHXFCSA-N 2 2 338.455 3.342 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2ccccc2)o1 ZINC000151336700 454970251 /nfs/dbraw/zinc/97/02/51/454970251.db2.gz RIULWPWIPBVTSW-WMZOPIPTSA-N 2 2 328.456 3.444 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155632913 455024381 /nfs/dbraw/zinc/02/43/81/455024381.db2.gz NOSQBKCDRYRENL-HNNXBMFYSA-N 2 2 329.448 3.108 20 0 EGADLP CC1CC[NH+](C2CCC(NC(=O)c3ccc4[nH+]ccn4c3)CC2)CC1 ZINC000179258700 455025628 /nfs/dbraw/zinc/02/56/28/455025628.db2.gz DBOUZQWJGBFTSR-UHFFFAOYSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)cc(F)c1 ZINC000151791741 455030792 /nfs/dbraw/zinc/03/07/92/455030792.db2.gz LMKDRFMNQVOCMU-XOBRGWDASA-N 2 2 346.421 3.035 20 0 EGADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179766771 455076157 /nfs/dbraw/zinc/07/61/57/455076157.db2.gz CPVYLTZBRFKOSP-UHFFFAOYSA-N 2 2 344.459 3.166 20 0 EGADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179766771 455076164 /nfs/dbraw/zinc/07/61/64/455076164.db2.gz CPVYLTZBRFKOSP-UHFFFAOYSA-N 2 2 344.459 3.166 20 0 EGADLP Cc1oncc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000128938525 455091999 /nfs/dbraw/zinc/09/19/99/455091999.db2.gz CTSCFQPUIXFSJU-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000128938525 455092002 /nfs/dbraw/zinc/09/20/02/455092002.db2.gz CTSCFQPUIXFSJU-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000128938525 455092006 /nfs/dbraw/zinc/09/20/06/455092006.db2.gz CTSCFQPUIXFSJU-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1oncc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000128938525 455092011 /nfs/dbraw/zinc/09/20/11/455092011.db2.gz CTSCFQPUIXFSJU-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156450927 455119620 /nfs/dbraw/zinc/11/96/20/455119620.db2.gz WWELZWGRSFOXON-IGCXYCKISA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156450927 455119624 /nfs/dbraw/zinc/11/96/24/455119624.db2.gz WWELZWGRSFOXON-IGCXYCKISA-N 2 2 348.397 3.071 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@H](C)C1CCOCC1)c1cccc(OC)c1 ZINC000119062831 455123266 /nfs/dbraw/zinc/12/32/66/455123266.db2.gz APPVXHPUPVHJTR-UZLBHIALSA-N 2 2 334.504 3.483 20 0 EGADLP CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000156538530 455129827 /nfs/dbraw/zinc/12/98/27/455129827.db2.gz NZFCQQCAPMFIEW-MRXNPFEDSA-N 2 2 348.450 3.473 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157062709 455163667 /nfs/dbraw/zinc/16/36/67/455163667.db2.gz ITLBEWFRMJXBPF-YLJYHZDGSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157062709 455163669 /nfs/dbraw/zinc/16/36/69/455163669.db2.gz ITLBEWFRMJXBPF-YLJYHZDGSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157062709 455163671 /nfs/dbraw/zinc/16/36/71/455163671.db2.gz ITLBEWFRMJXBPF-YLJYHZDGSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157062709 455163672 /nfs/dbraw/zinc/16/36/72/455163672.db2.gz ITLBEWFRMJXBPF-YLJYHZDGSA-N 2 2 343.515 3.030 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000189368527 455185903 /nfs/dbraw/zinc/18/59/03/455185903.db2.gz GLQGDHZZXSEAFX-CYBMUJFWSA-N 2 2 344.368 3.151 20 0 EGADLP FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000189368527 455185909 /nfs/dbraw/zinc/18/59/09/455185909.db2.gz GLQGDHZZXSEAFX-CYBMUJFWSA-N 2 2 344.368 3.151 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000157486328 455199538 /nfs/dbraw/zinc/19/95/38/455199538.db2.gz AXNOKNSWOWKQSF-HXUWFJFHSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000157486328 455199539 /nfs/dbraw/zinc/19/95/39/455199539.db2.gz AXNOKNSWOWKQSF-HXUWFJFHSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426801 455295046 /nfs/dbraw/zinc/29/50/46/455295046.db2.gz LMYRANRSJDROAS-SJORKVTESA-N 2 2 347.503 3.076 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426801 455295050 /nfs/dbraw/zinc/29/50/50/455295050.db2.gz LMYRANRSJDROAS-SJORKVTESA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426801 455295055 /nfs/dbraw/zinc/29/50/55/455295055.db2.gz LMYRANRSJDROAS-SJORKVTESA-N 2 2 347.503 3.076 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000245426801 455295062 /nfs/dbraw/zinc/29/50/62/455295062.db2.gz LMYRANRSJDROAS-SJORKVTESA-N 2 2 347.503 3.076 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431505 455297218 /nfs/dbraw/zinc/29/72/18/455297218.db2.gz ATCGWMXFWQXILH-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431505 455297220 /nfs/dbraw/zinc/29/72/20/455297220.db2.gz ATCGWMXFWQXILH-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431505 455297222 /nfs/dbraw/zinc/29/72/22/455297222.db2.gz ATCGWMXFWQXILH-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245431505 455297223 /nfs/dbraw/zinc/29/72/23/455297223.db2.gz ATCGWMXFWQXILH-CABCVRRESA-N 2 2 335.517 3.009 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000245443761 455302037 /nfs/dbraw/zinc/30/20/37/455302037.db2.gz JCLMODVSWRPROC-IRXDYDNUSA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000245443761 455302043 /nfs/dbraw/zinc/30/20/43/455302043.db2.gz JCLMODVSWRPROC-IRXDYDNUSA-N 2 2 347.478 3.269 20 0 EGADLP Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc(C2CC2)[nH+]1 ZINC000265407124 455320700 /nfs/dbraw/zinc/32/07/00/455320700.db2.gz ZYBQIVGSYORZOZ-GOSISDBHSA-N 2 2 338.455 3.148 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000246219397 455451093 /nfs/dbraw/zinc/45/10/93/455451093.db2.gz QFJKQSBVHRJFHL-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000246219397 455451098 /nfs/dbraw/zinc/45/10/98/455451098.db2.gz QFJKQSBVHRJFHL-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccccc1Cl ZINC000266788811 455453135 /nfs/dbraw/zinc/45/31/35/455453135.db2.gz WSGIWUPZKABKBL-INIZCTEOSA-N 2 2 344.846 3.048 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246333370 455472278 /nfs/dbraw/zinc/47/22/78/455472278.db2.gz GYBQGSHVXDJKOV-CVEARBPZSA-N 2 2 331.504 3.022 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246333370 455472282 /nfs/dbraw/zinc/47/22/82/455472282.db2.gz GYBQGSHVXDJKOV-CVEARBPZSA-N 2 2 331.504 3.022 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266917008 455474379 /nfs/dbraw/zinc/47/43/79/455474379.db2.gz KUUNKAAADFAYGJ-MSOLQXFVSA-N 2 2 340.471 3.199 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000247083106 455556878 /nfs/dbraw/zinc/55/68/78/455556878.db2.gz NPQCASRWBYCWHY-PHXBYCTMSA-N 2 2 331.504 3.085 20 0 EGADLP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1(C)C ZINC000247083106 455556879 /nfs/dbraw/zinc/55/68/79/455556879.db2.gz NPQCASRWBYCWHY-PHXBYCTMSA-N 2 2 331.504 3.085 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247111053 455560319 /nfs/dbraw/zinc/56/03/19/455560319.db2.gz PFIRJTSGYDZBSP-XLIONFOSSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247111053 455560322 /nfs/dbraw/zinc/56/03/22/455560322.db2.gz PFIRJTSGYDZBSP-XLIONFOSSA-N 2 2 339.483 3.399 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247204535 455573537 /nfs/dbraw/zinc/57/35/37/455573537.db2.gz WLXSHGLZCRFYOW-VLOYRQLPSA-N 2 2 335.536 3.020 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247204535 455573539 /nfs/dbraw/zinc/57/35/39/455573539.db2.gz WLXSHGLZCRFYOW-VLOYRQLPSA-N 2 2 335.536 3.020 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000192236604 455579300 /nfs/dbraw/zinc/57/93/00/455579300.db2.gz BSVRUMPKLNPZDK-UHFFFAOYSA-N 2 2 342.491 3.142 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000192236604 455579302 /nfs/dbraw/zinc/57/93/02/455579302.db2.gz BSVRUMPKLNPZDK-UHFFFAOYSA-N 2 2 342.491 3.142 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247295539 455584201 /nfs/dbraw/zinc/58/42/01/455584201.db2.gz UKRKGXGOHAIRTC-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247295539 455584202 /nfs/dbraw/zinc/58/42/02/455584202.db2.gz UKRKGXGOHAIRTC-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247295539 455584204 /nfs/dbraw/zinc/58/42/04/455584204.db2.gz UKRKGXGOHAIRTC-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247295539 455584205 /nfs/dbraw/zinc/58/42/05/455584205.db2.gz UKRKGXGOHAIRTC-MPGHIAIKSA-N 2 2 349.906 3.392 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000247457419 455603474 /nfs/dbraw/zinc/60/34/74/455603474.db2.gz HZKZXTAKRQDYQP-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C1 ZINC000247457419 455603475 /nfs/dbraw/zinc/60/34/75/455603475.db2.gz HZKZXTAKRQDYQP-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247464085 455604402 /nfs/dbraw/zinc/60/44/02/455604402.db2.gz IPZQRYKKPZBHFY-IKGGRYGDSA-N 2 2 349.494 3.055 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000247464085 455604408 /nfs/dbraw/zinc/60/44/08/455604408.db2.gz IPZQRYKKPZBHFY-IKGGRYGDSA-N 2 2 349.494 3.055 20 0 EGADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277601048 455610751 /nfs/dbraw/zinc/61/07/51/455610751.db2.gz PXYUTVPJOIUCFW-BLLLJJGKSA-N 2 2 345.830 3.255 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)c2cc1C ZINC000247494572 455611563 /nfs/dbraw/zinc/61/15/63/455611563.db2.gz LEYNFPQPZCLNSF-SCTDSRPQSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]4CCC[C@@H]43)c2cc1C ZINC000247494572 455611566 /nfs/dbraw/zinc/61/15/66/455611566.db2.gz LEYNFPQPZCLNSF-SCTDSRPQSA-N 2 2 327.472 3.279 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000247513161 455616008 /nfs/dbraw/zinc/61/60/08/455616008.db2.gz MSBDOQUFNPHCHI-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000247513161 455616012 /nfs/dbraw/zinc/61/60/12/455616012.db2.gz MSBDOQUFNPHCHI-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247523364 455617725 /nfs/dbraw/zinc/61/77/25/455617725.db2.gz NQDHSCOFULJAFH-IEBWSBKVSA-N 2 2 335.536 3.045 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000247523364 455617731 /nfs/dbraw/zinc/61/77/31/455617731.db2.gz NQDHSCOFULJAFH-IEBWSBKVSA-N 2 2 335.536 3.045 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247561905 455625218 /nfs/dbraw/zinc/62/52/18/455625218.db2.gz KXFQIRLNHVJZEX-RVKKMQEKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247561905 455625221 /nfs/dbraw/zinc/62/52/21/455625221.db2.gz KXFQIRLNHVJZEX-RVKKMQEKSA-N 2 2 344.434 3.241 20 0 EGADLP COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)n2C ZINC000185839147 455631801 /nfs/dbraw/zinc/63/18/01/455631801.db2.gz XGPSVGHXGCOIML-UHFFFAOYSA-N 2 2 347.422 3.057 20 0 EGADLP CCOC[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084135 455634371 /nfs/dbraw/zinc/63/43/71/455634371.db2.gz LMTASMMZAHPPJB-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284084135 455634377 /nfs/dbraw/zinc/63/43/77/455634377.db2.gz LMTASMMZAHPPJB-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084135 455634381 /nfs/dbraw/zinc/63/43/81/455634381.db2.gz LMTASMMZAHPPJB-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP CCOC[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284084135 455634385 /nfs/dbraw/zinc/63/43/85/455634385.db2.gz LMTASMMZAHPPJB-LEWJYISDSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247776382 455645245 /nfs/dbraw/zinc/64/52/45/455645245.db2.gz WWELZWGRSFOXON-PBFPGSCMSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247776382 455645247 /nfs/dbraw/zinc/64/52/47/455645247.db2.gz WWELZWGRSFOXON-PBFPGSCMSA-N 2 2 348.397 3.071 20 0 EGADLP O[C@@H]([C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(F)(F)F ZINC000277812184 455673377 /nfs/dbraw/zinc/67/33/77/455673377.db2.gz QGLGYFIMBXVBBL-HOCLYGCPSA-N 2 2 339.361 3.008 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)C(F)(F)F ZINC000271538648 455677390 /nfs/dbraw/zinc/67/73/90/455677390.db2.gz QOAXYENENLPLJU-PQEBFOHHSA-N 2 2 344.421 3.331 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)C(F)(F)F ZINC000271538648 455677393 /nfs/dbraw/zinc/67/73/93/455677393.db2.gz QOAXYENENLPLJU-PQEBFOHHSA-N 2 2 344.421 3.331 20 0 EGADLP C[N@H+](Cc1cc(O)cc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000186199992 455715322 /nfs/dbraw/zinc/71/53/22/455715322.db2.gz NQHYYKKVNQBUDG-UHFFFAOYSA-N 2 2 343.446 3.065 20 0 EGADLP C[N@@H+](Cc1cc(O)cc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000186199992 455715326 /nfs/dbraw/zinc/71/53/26/455715326.db2.gz NQHYYKKVNQBUDG-UHFFFAOYSA-N 2 2 343.446 3.065 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923260 455731785 /nfs/dbraw/zinc/73/17/85/455731785.db2.gz PIBDHVBSJNVWMM-QAPCUYQASA-N 2 2 329.513 3.312 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923260 455731789 /nfs/dbraw/zinc/73/17/89/455731789.db2.gz PIBDHVBSJNVWMM-QAPCUYQASA-N 2 2 329.513 3.312 20 0 EGADLP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000186290088 455735793 /nfs/dbraw/zinc/73/57/93/455735793.db2.gz MYIICQGURRUBHR-KRWDZBQOSA-N 2 2 332.488 3.066 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941399 455738124 /nfs/dbraw/zinc/73/81/24/455738124.db2.gz SVHBCOUPTCJTNL-CVEARBPZSA-N 2 2 328.456 3.220 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941399 455738128 /nfs/dbraw/zinc/73/81/28/455738128.db2.gz SVHBCOUPTCJTNL-CVEARBPZSA-N 2 2 328.456 3.220 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941403 455738580 /nfs/dbraw/zinc/73/85/80/455738580.db2.gz SVHBCOUPTCJTNL-HOTGVXAUSA-N 2 2 328.456 3.220 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c3ccccc32)C1 ZINC000268941403 455738587 /nfs/dbraw/zinc/73/85/87/455738587.db2.gz SVHBCOUPTCJTNL-HOTGVXAUSA-N 2 2 328.456 3.220 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000268947727 455740019 /nfs/dbraw/zinc/74/00/19/455740019.db2.gz BRFGJXQLIUQYBL-MNEFBYGVSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@H+]1Cc1ccccc1 ZINC000268947727 455740025 /nfs/dbraw/zinc/74/00/25/455740025.db2.gz BRFGJXQLIUQYBL-MNEFBYGVSA-N 2 2 330.497 3.208 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268945927 455740416 /nfs/dbraw/zinc/74/04/16/455740416.db2.gz WPBQYGXPKVHUQL-DBXWQHBBSA-N 3 2 340.515 3.470 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268945927 455740421 /nfs/dbraw/zinc/74/04/21/455740421.db2.gz WPBQYGXPKVHUQL-DBXWQHBBSA-N 3 2 340.515 3.470 20 0 EGADLP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186324531 455743784 /nfs/dbraw/zinc/74/37/84/455743784.db2.gz LAVBSFNGMWGPBU-QFBILLFUSA-N 2 2 345.531 3.305 20 0 EGADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268961092 455745388 /nfs/dbraw/zinc/74/53/88/455745388.db2.gz XJEKLAPIIQDFQS-RBUKOAKNSA-N 2 2 337.939 3.133 20 0 EGADLP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268961092 455745391 /nfs/dbraw/zinc/74/53/91/455745391.db2.gz XJEKLAPIIQDFQS-RBUKOAKNSA-N 2 2 337.939 3.133 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000278158535 455773535 /nfs/dbraw/zinc/77/35/35/455773535.db2.gz ATZSBVJLZVSXJC-IHPCNDPISA-N 2 2 340.467 3.130 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000278158535 455773538 /nfs/dbraw/zinc/77/35/38/455773538.db2.gz ATZSBVJLZVSXJC-IHPCNDPISA-N 2 2 340.467 3.130 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2OC)CC[C@H]1[NH3+] ZINC000251552541 455792401 /nfs/dbraw/zinc/79/24/01/455792401.db2.gz BEKWADLFXFSDRI-BXUZGUMPSA-N 2 2 327.266 3.017 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OC)CC[C@H]1[NH3+] ZINC000251552541 455792405 /nfs/dbraw/zinc/79/24/05/455792405.db2.gz BEKWADLFXFSDRI-BXUZGUMPSA-N 2 2 327.266 3.017 20 0 EGADLP Fc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285448586 455847571 /nfs/dbraw/zinc/84/75/71/455847571.db2.gz GEGMDWJTFGKVAU-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285448586 455847573 /nfs/dbraw/zinc/84/75/73/455847573.db2.gz GEGMDWJTFGKVAU-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448586 455847576 /nfs/dbraw/zinc/84/75/76/455847576.db2.gz GEGMDWJTFGKVAU-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448586 455847582 /nfs/dbraw/zinc/84/75/82/455847582.db2.gz GEGMDWJTFGKVAU-FQEVSTJZSA-N 2 2 325.431 3.319 20 0 EGADLP CC[C@H](C)[N@H+](CC[C@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553910 455853519 /nfs/dbraw/zinc/85/35/19/455853519.db2.gz MTMQWZAUHQFOKV-JKSUJKDBSA-N 2 2 342.487 3.420 20 0 EGADLP CC[C@H](C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553910 455853521 /nfs/dbraw/zinc/85/35/21/455853521.db2.gz MTMQWZAUHQFOKV-JKSUJKDBSA-N 2 2 342.487 3.420 20 0 EGADLP CC[C@H](C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553910 455853524 /nfs/dbraw/zinc/85/35/24/455853524.db2.gz MTMQWZAUHQFOKV-JKSUJKDBSA-N 2 2 342.487 3.420 20 0 EGADLP CC[C@H](C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000253553910 455853526 /nfs/dbraw/zinc/85/35/26/455853526.db2.gz MTMQWZAUHQFOKV-JKSUJKDBSA-N 2 2 342.487 3.420 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285482218 455855229 /nfs/dbraw/zinc/85/52/29/455855229.db2.gz BOXNFKUUBCHVJY-KKXNLOMOSA-N 3 2 326.488 3.304 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285482218 455855230 /nfs/dbraw/zinc/85/52/30/455855230.db2.gz BOXNFKUUBCHVJY-KKXNLOMOSA-N 3 2 326.488 3.304 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@H](C)C1 ZINC000187018703 455863528 /nfs/dbraw/zinc/86/35/28/455863528.db2.gz KFJFQGIAOKLTJG-HZPDHXFCSA-N 2 2 331.460 3.054 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3ccccc3o2)[C@H](C)C1 ZINC000187018703 455863531 /nfs/dbraw/zinc/86/35/31/455863531.db2.gz KFJFQGIAOKLTJG-HZPDHXFCSA-N 2 2 331.460 3.054 20 0 EGADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000272260986 455896249 /nfs/dbraw/zinc/89/62/49/455896249.db2.gz AOWWKDAPQHQCPM-DNVCBOLYSA-N 2 2 337.423 3.040 20 0 EGADLP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000272260986 455896253 /nfs/dbraw/zinc/89/62/53/455896253.db2.gz AOWWKDAPQHQCPM-DNVCBOLYSA-N 2 2 337.423 3.040 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000194963830 455907446 /nfs/dbraw/zinc/90/74/46/455907446.db2.gz BRTLZMKRPZUFQR-IBGZPJMESA-N 2 2 346.438 3.232 20 0 EGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195026160 455914972 /nfs/dbraw/zinc/91/49/72/455914972.db2.gz ZQJGZYBVBQNTFG-LJQANCHMSA-N 2 2 335.455 3.136 20 0 EGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195026160 455914976 /nfs/dbraw/zinc/91/49/76/455914976.db2.gz ZQJGZYBVBQNTFG-LJQANCHMSA-N 2 2 335.455 3.136 20 0 EGADLP CC[N@H+](C)Cc1cccc(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195026160 455914981 /nfs/dbraw/zinc/91/49/81/455914981.db2.gz ZQJGZYBVBQNTFG-LJQANCHMSA-N 2 2 335.455 3.136 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)c1 ZINC000195026160 455914984 /nfs/dbraw/zinc/91/49/84/455914984.db2.gz ZQJGZYBVBQNTFG-LJQANCHMSA-N 2 2 335.455 3.136 20 0 EGADLP Cc1noc(CCC[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270314453 455926319 /nfs/dbraw/zinc/92/63/19/455926319.db2.gz JIWGOAIIRISSDO-INIZCTEOSA-N 2 2 339.443 3.133 20 0 EGADLP Cc1noc(CCC[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)n1 ZINC000270314453 455926324 /nfs/dbraw/zinc/92/63/24/455926324.db2.gz JIWGOAIIRISSDO-INIZCTEOSA-N 2 2 339.443 3.133 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]c2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000280258426 455930090 /nfs/dbraw/zinc/93/00/90/455930090.db2.gz MGZIILLDHABVIF-VKJFTORMSA-N 2 2 334.460 3.017 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cn2cccnc2n1 ZINC000270377717 455942620 /nfs/dbraw/zinc/94/26/20/455942620.db2.gz VJQCPCYEVYHOJK-QGZVFWFLSA-N 2 2 346.438 3.052 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cn2cccnc2n1 ZINC000270377717 455942625 /nfs/dbraw/zinc/94/26/25/455942625.db2.gz VJQCPCYEVYHOJK-QGZVFWFLSA-N 2 2 346.438 3.052 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000261757199 455942736 /nfs/dbraw/zinc/94/27/36/455942736.db2.gz QPXBDVPKAMKHGO-RTWAWAEBSA-N 2 2 343.515 3.095 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000261757199 455942742 /nfs/dbraw/zinc/94/27/42/455942742.db2.gz QPXBDVPKAMKHGO-RTWAWAEBSA-N 2 2 343.515 3.095 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000195346593 455946732 /nfs/dbraw/zinc/94/67/32/455946732.db2.gz CWVQHVBVOBEIKJ-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000195346593 455946734 /nfs/dbraw/zinc/94/67/34/455946734.db2.gz CWVQHVBVOBEIKJ-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c[nH+]1 ZINC000270521890 455974132 /nfs/dbraw/zinc/97/41/32/455974132.db2.gz RVTJDWYYKBNAKO-XUVXKRRUSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000272534829 455985684 /nfs/dbraw/zinc/98/56/84/455985684.db2.gz BLTAVSDAINNISZ-IRXDYDNUSA-N 2 2 333.476 3.216 20 0 EGADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000262021320 455986724 /nfs/dbraw/zinc/98/67/24/455986724.db2.gz YAJGWABDSILMRY-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272560928 455994816 /nfs/dbraw/zinc/99/48/16/455994816.db2.gz UHWKQMSDNDBIHO-NVXWUHKLSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272560928 455994820 /nfs/dbraw/zinc/99/48/20/455994820.db2.gz UHWKQMSDNDBIHO-NVXWUHKLSA-N 2 2 342.439 3.066 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286244720 456007354 /nfs/dbraw/zinc/00/73/54/456007354.db2.gz GQUQXKYTRMDVDS-KBOKABMXSA-N 2 2 346.862 3.276 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286244720 456007357 /nfs/dbraw/zinc/00/73/57/456007357.db2.gz GQUQXKYTRMDVDS-KBOKABMXSA-N 2 2 346.862 3.276 20 0 EGADLP Cc1[nH+]ccn1-c1ncccc1CNc1nc(C)[nH+]c2c1CCCC2 ZINC000272817580 456078564 /nfs/dbraw/zinc/07/85/64/456078564.db2.gz DOMJBFUECOPIJU-UHFFFAOYSA-N 2 2 334.427 3.165 20 0 EGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@H](C)OC)cc1 ZINC000272937304 456117704 /nfs/dbraw/zinc/11/77/04/456117704.db2.gz KTGBNLFJRZFKEQ-KRWDZBQOSA-N 2 2 331.460 3.209 20 0 EGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H](C)OC)cc1 ZINC000272937304 456117709 /nfs/dbraw/zinc/11/77/09/456117709.db2.gz KTGBNLFJRZFKEQ-KRWDZBQOSA-N 2 2 331.460 3.209 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cscn1 ZINC000271134123 456136721 /nfs/dbraw/zinc/13/67/21/456136721.db2.gz MPEVSUFLBFSZGF-UONOGXRCSA-N 2 2 348.491 3.446 20 0 EGADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cscn1 ZINC000271134117 456136809 /nfs/dbraw/zinc/13/68/09/456136809.db2.gz MPEVSUFLBFSZGF-KBPBESRZSA-N 2 2 348.491 3.446 20 0 EGADLP O=C(C[NH+]1CCC(Nc2cc[nH+]cc2Cl)CC1)Nc1ccccc1 ZINC000301601951 456156921 /nfs/dbraw/zinc/15/69/21/456156921.db2.gz VVFWINKFVKHADB-UHFFFAOYSA-N 2 2 344.846 3.250 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000236701912 456170995 /nfs/dbraw/zinc/17/09/95/456170995.db2.gz JZZYSRRSYTXPLX-HXUWFJFHSA-N 2 2 339.483 3.268 20 0 EGADLP Cc1ccc(O)c(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)n1 ZINC000236701912 456170998 /nfs/dbraw/zinc/17/09/98/456170998.db2.gz JZZYSRRSYTXPLX-HXUWFJFHSA-N 2 2 339.483 3.268 20 0 EGADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000333218487 456179813 /nfs/dbraw/zinc/17/98/13/456179813.db2.gz VLFUEJJDJKXENZ-BKFWEMOKSA-N 2 2 344.503 3.029 20 0 EGADLP Cc1ccc2[nH+]c(CN[C@H](C[NH+](C)C)c3ccc(F)cc3)cn2c1 ZINC000290083779 456236399 /nfs/dbraw/zinc/23/63/99/456236399.db2.gz JCXNTYKMKGQBEM-GOSISDBHSA-N 2 2 326.419 3.174 20 0 EGADLP CC(C)c1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)nc(C(C)C)[nH+]1 ZINC000301876542 456238458 /nfs/dbraw/zinc/23/84/58/456238458.db2.gz SFUDUCDVQHGVMA-INIZCTEOSA-N 2 2 334.508 3.228 20 0 EGADLP C[NH+](C)Cc1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1F ZINC000301900392 456245607 /nfs/dbraw/zinc/24/56/07/456245607.db2.gz ZARBZYVMRZXHCD-UHFFFAOYSA-N 2 2 329.423 3.111 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000333787169 456263206 /nfs/dbraw/zinc/26/32/06/456263206.db2.gz FOACYHHOBDXKIJ-NDFXWATISA-N 3 2 331.548 3.040 20 0 EGADLP CCc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nc(C)[nH+]1 ZINC000302061144 456278220 /nfs/dbraw/zinc/27/82/20/456278220.db2.gz SYDOJEZJANUDAY-OAHLLOKOSA-N 2 2 340.471 3.180 20 0 EGADLP CCc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nc(C)[nH+]1 ZINC000302061144 456278221 /nfs/dbraw/zinc/27/82/21/456278221.db2.gz SYDOJEZJANUDAY-OAHLLOKOSA-N 2 2 340.471 3.180 20 0 EGADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070431 456279522 /nfs/dbraw/zinc/27/95/22/456279522.db2.gz DYCSMMQENONMQJ-KXBFYZLASA-N 2 2 326.488 3.117 20 0 EGADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000302070431 456279524 /nfs/dbraw/zinc/27/95/24/456279524.db2.gz DYCSMMQENONMQJ-KXBFYZLASA-N 2 2 326.488 3.117 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000352759771 456282483 /nfs/dbraw/zinc/28/24/83/456282483.db2.gz LFNWLMNRPCEMIN-ROUUACIJSA-N 2 2 345.512 3.432 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)ccn1 ZINC000342870283 456285133 /nfs/dbraw/zinc/28/51/33/456285133.db2.gz CRIRBWDFTDBOIB-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)ccn1 ZINC000342870283 456285138 /nfs/dbraw/zinc/28/51/38/456285138.db2.gz CRIRBWDFTDBOIB-QGZVFWFLSA-N 2 2 336.439 3.413 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc(OC)c1 ZINC000336793968 456311470 /nfs/dbraw/zinc/31/14/70/456311470.db2.gz ZEEFIFVOBWDGKW-IERDGZPVSA-N 2 2 340.467 3.456 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc(OC)c1 ZINC000336793968 456311478 /nfs/dbraw/zinc/31/14/78/456311478.db2.gz ZEEFIFVOBWDGKW-IERDGZPVSA-N 2 2 340.467 3.456 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281780183 456318482 /nfs/dbraw/zinc/31/84/82/456318482.db2.gz ISMHMPRPDJBEGR-UHFFFAOYSA-N 2 2 349.438 3.191 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000275874994 456337238 /nfs/dbraw/zinc/33/72/38/456337238.db2.gz OKYFKZIIDAXYOI-FQEVSTJZSA-N 2 2 335.455 3.254 20 0 EGADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCCC23CCOCC3)[nH+]1 ZINC000337394904 456350937 /nfs/dbraw/zinc/35/09/37/456350937.db2.gz PBNZDSJCFYCJFS-IBGZPJMESA-N 2 2 339.483 3.413 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939544 456354082 /nfs/dbraw/zinc/35/40/82/456354082.db2.gz YROYKDYFBLYNCV-VQTJNVASSA-N 2 2 341.503 3.182 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939544 456354086 /nfs/dbraw/zinc/35/40/86/456354086.db2.gz YROYKDYFBLYNCV-VQTJNVASSA-N 2 2 341.503 3.182 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352853775 456365519 /nfs/dbraw/zinc/36/55/19/456365519.db2.gz OKYFHCVLMCHURR-CYBMUJFWSA-N 2 2 336.423 3.213 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cscc2C(F)(F)F)C1 ZINC000352853775 456365524 /nfs/dbraw/zinc/36/55/24/456365524.db2.gz OKYFHCVLMCHURR-CYBMUJFWSA-N 2 2 336.423 3.213 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340298835 456370592 /nfs/dbraw/zinc/37/05/92/456370592.db2.gz QSIOUINACMNJRB-XUVXKRRUSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000340298835 456370597 /nfs/dbraw/zinc/37/05/97/456370597.db2.gz QSIOUINACMNJRB-XUVXKRRUSA-N 2 2 328.431 3.284 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000302685933 456374545 /nfs/dbraw/zinc/37/45/45/456374545.db2.gz YFJXMACXWVJIQD-RDJZCZTQSA-N 2 2 325.456 3.472 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000302685933 456374549 /nfs/dbraw/zinc/37/45/49/456374549.db2.gz YFJXMACXWVJIQD-RDJZCZTQSA-N 2 2 325.456 3.472 20 0 EGADLP C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000290676746 456402824 /nfs/dbraw/zinc/40/28/24/456402824.db2.gz LRHWSDIWTYBSSM-CABCVRRESA-N 2 2 341.459 3.109 20 0 EGADLP C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000290676746 456402829 /nfs/dbraw/zinc/40/28/29/456402829.db2.gz LRHWSDIWTYBSSM-CABCVRRESA-N 2 2 341.459 3.109 20 0 EGADLP CC(C)[C@H](CO)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347859340 456409663 /nfs/dbraw/zinc/40/96/63/456409663.db2.gz QZFYUBHEQNAMDM-SFHVURJKSA-N 2 2 347.528 3.224 20 0 EGADLP CC(C)[C@H](CO)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000347859340 456409667 /nfs/dbraw/zinc/40/96/67/456409667.db2.gz QZFYUBHEQNAMDM-SFHVURJKSA-N 2 2 347.528 3.224 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1C ZINC000282130782 456420526 /nfs/dbraw/zinc/42/05/26/456420526.db2.gz KCAVXULMKYVMAS-HZPDHXFCSA-N 2 2 332.517 3.353 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1C ZINC000282130782 456420530 /nfs/dbraw/zinc/42/05/30/456420530.db2.gz KCAVXULMKYVMAS-HZPDHXFCSA-N 2 2 332.517 3.353 20 0 EGADLP Cc1nnc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000276246449 456422575 /nfs/dbraw/zinc/42/25/75/456422575.db2.gz PBAUESDAROBDSA-UOIKSKOESA-N 2 2 330.501 3.093 20 0 EGADLP Cc1nnc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000276246449 456422577 /nfs/dbraw/zinc/42/25/77/456422577.db2.gz PBAUESDAROBDSA-UOIKSKOESA-N 2 2 330.501 3.093 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1nccc2ccccc21 ZINC000290803244 456432763 /nfs/dbraw/zinc/43/27/63/456432763.db2.gz VQJAEAUWEZGYGZ-IAGOWNOFSA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1nccc2ccccc21 ZINC000290803244 456432767 /nfs/dbraw/zinc/43/27/67/456432767.db2.gz VQJAEAUWEZGYGZ-IAGOWNOFSA-N 2 2 327.472 3.386 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000348028471 456440354 /nfs/dbraw/zinc/44/03/54/456440354.db2.gz UEWXHKFOLUPGPN-IRXDYDNUSA-N 2 2 337.552 3.076 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000340410285 456444013 /nfs/dbraw/zinc/44/40/13/456444013.db2.gz WJKWBOSRJVQVIW-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CSC[C@@H]3C)c[nH+]c12 ZINC000353031118 456448834 /nfs/dbraw/zinc/44/88/34/456448834.db2.gz BCMYYLXYWZJAOW-GWCFXTLKSA-N 2 2 340.290 3.246 20 0 EGADLP CC[C@H](C)[NH2+][C@H](CNc1nc(C)[nH+]c2c1CCCC2)c1ccco1 ZINC000343250344 456483245 /nfs/dbraw/zinc/48/32/45/456483245.db2.gz MEQOHLOLDWEYAL-SUMWQHHRSA-N 2 2 328.460 3.220 20 0 EGADLP CCn1cc(CC[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000276361183 456455862 /nfs/dbraw/zinc/45/58/62/456455862.db2.gz YTMGOXGNYFPCSQ-UHFFFAOYSA-N 2 2 341.503 3.079 20 0 EGADLP CCn1cc(CC[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000276361183 456455866 /nfs/dbraw/zinc/45/58/66/456455866.db2.gz YTMGOXGNYFPCSQ-UHFFFAOYSA-N 2 2 341.503 3.079 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511154 456464839 /nfs/dbraw/zinc/46/48/39/456464839.db2.gz BLEFVYNVOVSKLJ-UYAOXDASSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCC2CCCCC2)C1 ZINC000303511154 456464848 /nfs/dbraw/zinc/46/48/48/456464848.db2.gz BLEFVYNVOVSKLJ-UYAOXDASSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511154 456464855 /nfs/dbraw/zinc/46/48/55/456464855.db2.gz BLEFVYNVOVSKLJ-UYAOXDASSA-N 2 2 349.563 3.269 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000303511154 456464860 /nfs/dbraw/zinc/46/48/60/456464860.db2.gz BLEFVYNVOVSKLJ-UYAOXDASSA-N 2 2 349.563 3.269 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000298507363 456475565 /nfs/dbraw/zinc/47/55/65/456475565.db2.gz QRMKTRITJSSYQS-INIZCTEOSA-N 2 2 343.471 3.485 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)no1 ZINC000298507363 456475572 /nfs/dbraw/zinc/47/55/72/456475572.db2.gz QRMKTRITJSSYQS-INIZCTEOSA-N 2 2 343.471 3.485 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(F)cn1 ZINC000348100617 456480264 /nfs/dbraw/zinc/48/02/64/456480264.db2.gz FIMOZDZKFFAOJA-ZDUSSCGKSA-N 2 2 326.375 3.266 20 0 EGADLP Cc1ccncc1CCCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000348109135 456486431 /nfs/dbraw/zinc/48/64/31/456486431.db2.gz CPKUOBAUNTXNEI-CALCHBBNSA-N 2 2 340.471 3.443 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000348109135 456486440 /nfs/dbraw/zinc/48/64/40/456486440.db2.gz CPKUOBAUNTXNEI-CALCHBBNSA-N 2 2 340.471 3.443 20 0 EGADLP COCc1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c2cc(F)ccc2[nH+]1 ZINC000290986592 456486929 /nfs/dbraw/zinc/48/69/29/456486929.db2.gz SKTNSSQSALCIEG-MSOLQXFVSA-N 2 2 349.475 3.002 20 0 EGADLP C[C@H](CCc1ccsc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340503259 456496592 /nfs/dbraw/zinc/49/65/92/456496592.db2.gz DIBALHOZTTUERB-OXQOHEQNSA-N 2 2 344.524 3.078 20 0 EGADLP C[C@H](CCc1ccsc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340503259 456496601 /nfs/dbraw/zinc/49/66/01/456496601.db2.gz DIBALHOZTTUERB-OXQOHEQNSA-N 2 2 344.524 3.078 20 0 EGADLP CC(C)(C)OC(=O)NCC1(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000298608693 456501131 /nfs/dbraw/zinc/50/11/31/456501131.db2.gz ZUIABMKVNVDJEK-UHFFFAOYSA-N 2 2 348.491 3.168 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000340520791 456507700 /nfs/dbraw/zinc/50/77/00/456507700.db2.gz YFGQRJMZOLQWEE-IYWMVGAKSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000340520791 456507707 /nfs/dbraw/zinc/50/77/07/456507707.db2.gz YFGQRJMZOLQWEE-IYWMVGAKSA-N 2 2 326.484 3.198 20 0 EGADLP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000343315384 456525496 /nfs/dbraw/zinc/52/54/96/456525496.db2.gz PRBDGKINQOTNRE-QZTJIDSGSA-N 2 2 331.847 3.031 20 0 EGADLP CC[N@H+]1CCO[C@H](CNc2cc[nH+]cc2Cl)[C@H]1c1ccccc1 ZINC000343315384 456525500 /nfs/dbraw/zinc/52/55/00/456525500.db2.gz PRBDGKINQOTNRE-QZTJIDSGSA-N 2 2 331.847 3.031 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498291 456533218 /nfs/dbraw/zinc/53/32/18/456533218.db2.gz RQEZTSKUMSKZKY-HXUWFJFHSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282498291 456533222 /nfs/dbraw/zinc/53/32/22/456533222.db2.gz RQEZTSKUMSKZKY-HXUWFJFHSA-N 3 2 329.532 3.361 20 0 EGADLP COc1cc(OC)c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1F ZINC000651669215 462296571 /nfs/dbraw/zinc/29/65/71/462296571.db2.gz LAENGDGETZRWRC-UHFFFAOYSA-N 2 2 343.402 3.291 20 0 EGADLP CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000353179628 456542863 /nfs/dbraw/zinc/54/28/63/456542863.db2.gz JGGZPYRGMWOLEK-SFHVURJKSA-N 2 2 340.471 3.061 20 0 EGADLP CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000353179628 456542868 /nfs/dbraw/zinc/54/28/68/456542868.db2.gz JGGZPYRGMWOLEK-SFHVURJKSA-N 2 2 340.471 3.061 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CC(N)=O)c1cccc(Cl)c1 ZINC000348263308 456581458 /nfs/dbraw/zinc/58/14/58/456581458.db2.gz SJHLGWSAEIBLQH-KRWDZBQOSA-N 2 2 331.847 3.182 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000310703821 456582981 /nfs/dbraw/zinc/58/29/81/456582981.db2.gz RPVBSVRRELADMF-JXFKEZNVSA-N 2 2 338.451 3.226 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000310703821 456582988 /nfs/dbraw/zinc/58/29/88/456582988.db2.gz RPVBSVRRELADMF-JXFKEZNVSA-N 2 2 338.451 3.226 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000348323122 456621945 /nfs/dbraw/zinc/62/19/45/456621945.db2.gz JJKSHEBZRLMBKZ-AHRSYUTCSA-N 2 2 333.520 3.006 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000348323122 456621947 /nfs/dbraw/zinc/62/19/47/456621947.db2.gz JJKSHEBZRLMBKZ-AHRSYUTCSA-N 2 2 333.520 3.006 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650988 /nfs/dbraw/zinc/65/09/88/456650988.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 3 2 329.532 3.491 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650990 /nfs/dbraw/zinc/65/09/90/456650990.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650992 /nfs/dbraw/zinc/65/09/92/456650992.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 3 2 329.532 3.491 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000343482409 456650995 /nfs/dbraw/zinc/65/09/95/456650995.db2.gz UUZKGNMXDTYGBC-WFXMLNOXSA-N 3 2 329.532 3.491 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025601 456657761 /nfs/dbraw/zinc/65/77/61/456657761.db2.gz ATEIRGKPIULHCB-MOPGFXCFSA-N 2 2 331.504 3.012 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277025601 456657766 /nfs/dbraw/zinc/65/77/66/456657766.db2.gz ATEIRGKPIULHCB-MOPGFXCFSA-N 2 2 331.504 3.012 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000282921823 456666454 /nfs/dbraw/zinc/66/64/54/456666454.db2.gz HHTXFUCPOWSVKZ-LJQANCHMSA-N 2 2 328.456 3.162 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000282921823 456666457 /nfs/dbraw/zinc/66/64/57/456666457.db2.gz HHTXFUCPOWSVKZ-LJQANCHMSA-N 2 2 328.456 3.162 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000282921820 456666587 /nfs/dbraw/zinc/66/65/87/456666587.db2.gz HHTXFUCPOWSVKZ-IBGZPJMESA-N 2 2 328.456 3.162 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000282921820 456666594 /nfs/dbraw/zinc/66/65/94/456666594.db2.gz HHTXFUCPOWSVKZ-IBGZPJMESA-N 2 2 328.456 3.162 20 0 EGADLP Cc1cnc(C2CC[NH+](Cc3ncc(C[NH+](C)C)s3)CC2)s1 ZINC000348409050 456670595 /nfs/dbraw/zinc/67/05/95/456670595.db2.gz MTLDVMYETWRLGR-UHFFFAOYSA-N 2 2 336.530 3.349 20 0 EGADLP CC(C)C[NH+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338157724 456671135 /nfs/dbraw/zinc/67/11/35/456671135.db2.gz WDUSITFCEPWKQQ-UHFFFAOYSA-N 2 2 339.439 3.288 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343601986 456735100 /nfs/dbraw/zinc/73/51/00/456735100.db2.gz MXRQDKGJEAPVAW-LMNJBCLMSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000343601986 456735111 /nfs/dbraw/zinc/73/51/11/456735111.db2.gz MXRQDKGJEAPVAW-LMNJBCLMSA-N 2 2 345.531 3.070 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)c1OC ZINC000353529640 456737694 /nfs/dbraw/zinc/73/76/94/456737694.db2.gz JWQYSRLFYYNHGZ-OAHLLOKOSA-N 2 2 343.471 3.430 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348541347 456751630 /nfs/dbraw/zinc/75/16/30/456751630.db2.gz VXZZZGZYQQWQDL-UONOGXRCSA-N 2 2 344.484 3.338 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348541347 456751635 /nfs/dbraw/zinc/75/16/35/456751635.db2.gz VXZZZGZYQQWQDL-UONOGXRCSA-N 2 2 344.484 3.338 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000353551023 456753554 /nfs/dbraw/zinc/75/35/54/456753554.db2.gz QPZQARABJDZHFI-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000353551023 456753559 /nfs/dbraw/zinc/75/35/59/456753559.db2.gz QPZQARABJDZHFI-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000353551023 456753567 /nfs/dbraw/zinc/75/35/67/456753567.db2.gz QPZQARABJDZHFI-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000353551023 456753572 /nfs/dbraw/zinc/75/35/72/456753572.db2.gz QPZQARABJDZHFI-UHFFFAOYSA-N 2 2 330.428 3.020 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000338296572 456755311 /nfs/dbraw/zinc/75/53/11/456755311.db2.gz NYNMVAVDVUVABI-ZQIUZPCESA-N 2 2 330.501 3.408 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000338296572 456755318 /nfs/dbraw/zinc/75/53/18/456755318.db2.gz NYNMVAVDVUVABI-ZQIUZPCESA-N 2 2 330.501 3.408 20 0 EGADLP CCc1nocc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000353557877 456759409 /nfs/dbraw/zinc/75/94/09/456759409.db2.gz CDFHGKZUQINTII-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000353557877 456759416 /nfs/dbraw/zinc/75/94/16/456759416.db2.gz CDFHGKZUQINTII-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000353557877 456759423 /nfs/dbraw/zinc/75/94/23/456759423.db2.gz CDFHGKZUQINTII-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP CCc1nocc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000353557877 456759430 /nfs/dbraw/zinc/75/94/30/456759430.db2.gz CDFHGKZUQINTII-QZTJIDSGSA-N 2 2 325.456 3.191 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000338423715 456809041 /nfs/dbraw/zinc/80/90/41/456809041.db2.gz NOVSYLPJEBXYNZ-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000338423715 456809050 /nfs/dbraw/zinc/80/90/50/456809050.db2.gz NOVSYLPJEBXYNZ-KRWDZBQOSA-N 2 2 342.487 3.116 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c[nH+]1 ZINC000353647748 456828675 /nfs/dbraw/zinc/82/86/75/456828675.db2.gz HGRZVAYYRUFERQ-KRWDZBQOSA-N 2 2 326.444 3.463 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c[nH+]1 ZINC000353647748 456828679 /nfs/dbraw/zinc/82/86/79/456828679.db2.gz HGRZVAYYRUFERQ-KRWDZBQOSA-N 2 2 326.444 3.463 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccc(F)cc1 ZINC000301244077 456831659 /nfs/dbraw/zinc/83/16/59/456831659.db2.gz NLPBBLVUAOOVQQ-QGZVFWFLSA-N 2 2 343.450 3.321 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000341331033 456850835 /nfs/dbraw/zinc/85/08/35/456850835.db2.gz NJSRRKIZJRYHCY-UHFFFAOYSA-N 2 2 345.874 3.463 20 0 EGADLP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341497893 456869675 /nfs/dbraw/zinc/86/96/75/456869675.db2.gz JUFUACICAWRZDR-MRXNPFEDSA-N 2 2 327.447 3.406 20 0 EGADLP CC(C)CCn1cccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349303896 456937452 /nfs/dbraw/zinc/93/74/52/456937452.db2.gz ZJYWMLHPJOPHHJ-IBGZPJMESA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349303896 456937455 /nfs/dbraw/zinc/93/74/55/456937455.db2.gz ZJYWMLHPJOPHHJ-IBGZPJMESA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349303896 456937458 /nfs/dbraw/zinc/93/74/58/456937458.db2.gz ZJYWMLHPJOPHHJ-IBGZPJMESA-N 2 2 346.563 3.135 20 0 EGADLP CC(C)CCn1cccc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349303896 456937460 /nfs/dbraw/zinc/93/74/60/456937460.db2.gz ZJYWMLHPJOPHHJ-IBGZPJMESA-N 2 2 346.563 3.135 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861391 456939826 /nfs/dbraw/zinc/93/98/26/456939826.db2.gz ARCYLUOXESRACV-VQIMIIECSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861391 456939828 /nfs/dbraw/zinc/93/98/28/456939828.db2.gz ARCYLUOXESRACV-VQIMIIECSA-N 2 2 325.456 3.090 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000345193600 456962132 /nfs/dbraw/zinc/96/21/32/456962132.db2.gz WRQXIBRKJPUZBE-ZDUSSCGKSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000345193600 456962135 /nfs/dbraw/zinc/96/21/35/456962135.db2.gz WRQXIBRKJPUZBE-ZDUSSCGKSA-N 2 2 344.286 3.396 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974864 456986141 /nfs/dbraw/zinc/98/61/41/456986141.db2.gz SWIRHCQDYFJGIF-HNNXBMFYSA-N 2 2 349.548 3.386 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974864 456986142 /nfs/dbraw/zinc/98/61/42/456986142.db2.gz SWIRHCQDYFJGIF-HNNXBMFYSA-N 2 2 349.548 3.386 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974864 456986145 /nfs/dbraw/zinc/98/61/45/456986145.db2.gz SWIRHCQDYFJGIF-HNNXBMFYSA-N 2 2 349.548 3.386 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000353974864 456986148 /nfs/dbraw/zinc/98/61/48/456986148.db2.gz SWIRHCQDYFJGIF-HNNXBMFYSA-N 2 2 349.548 3.386 20 0 EGADLP Cc1cn2cc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)ccc2[nH+]1 ZINC000354041488 457026271 /nfs/dbraw/zinc/02/62/71/457026271.db2.gz ALRABMHIRFHODA-UHFFFAOYSA-N 2 2 345.406 3.069 20 0 EGADLP CCc1nc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc(C)[nH+]1 ZINC000341975161 457036252 /nfs/dbraw/zinc/03/62/52/457036252.db2.gz QXUSSNOKWQOKJF-MRXNPFEDSA-N 2 2 340.471 3.239 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cs1 ZINC000346581867 457058186 /nfs/dbraw/zinc/05/81/86/457058186.db2.gz VIOOKLMDPCHBIC-JQFCIGGWSA-N 2 2 337.533 3.295 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578944 457065830 /nfs/dbraw/zinc/06/58/30/457065830.db2.gz PBZKBIGYQIXVRB-CEXWTWQISA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000356578944 457065835 /nfs/dbraw/zinc/06/58/35/457065835.db2.gz PBZKBIGYQIXVRB-CEXWTWQISA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000356578944 457065838 /nfs/dbraw/zinc/06/58/38/457065838.db2.gz PBZKBIGYQIXVRB-CEXWTWQISA-N 2 2 337.552 3.124 20 0 EGADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356578944 457065842 /nfs/dbraw/zinc/06/58/42/457065842.db2.gz PBZKBIGYQIXVRB-CEXWTWQISA-N 2 2 337.552 3.124 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000342054806 457082769 /nfs/dbraw/zinc/08/27/69/457082769.db2.gz BBASWEHPAAQOGP-UHFFFAOYSA-N 2 2 344.422 3.051 20 0 EGADLP CCc1nc(Nc2cccc(C[NH+]3CCSCC3)c2)cc(C)[nH+]1 ZINC000342057844 457084880 /nfs/dbraw/zinc/08/48/80/457084880.db2.gz GJRRGNCHJCVAJQ-UHFFFAOYSA-N 2 2 328.485 3.062 20 0 EGADLP CCC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521631 457091153 /nfs/dbraw/zinc/09/11/53/457091153.db2.gz DLTZYQMKNJISLV-PMACEKPBSA-N 2 2 334.504 3.483 20 0 EGADLP CCC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(OC)cc1 ZINC000359521631 457091157 /nfs/dbraw/zinc/09/11/57/457091157.db2.gz DLTZYQMKNJISLV-PMACEKPBSA-N 2 2 334.504 3.483 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)nn1CC(C)C ZINC000354166827 457104289 /nfs/dbraw/zinc/10/42/89/457104289.db2.gz NBQIRWJJCZZWLC-HXUWFJFHSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)nn1CC(C)C ZINC000354166827 457104297 /nfs/dbraw/zinc/10/42/97/457104297.db2.gz NBQIRWJJCZZWLC-HXUWFJFHSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)nn1CC(C)C ZINC000354166827 457104303 /nfs/dbraw/zinc/10/43/03/457104303.db2.gz NBQIRWJJCZZWLC-HXUWFJFHSA-N 2 2 348.535 3.164 20 0 EGADLP CCOc1c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)nn1CC(C)C ZINC000354166827 457104305 /nfs/dbraw/zinc/10/43/05/457104305.db2.gz NBQIRWJJCZZWLC-HXUWFJFHSA-N 2 2 348.535 3.164 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165669 457104500 /nfs/dbraw/zinc/10/45/00/457104500.db2.gz HIMOWNIZEYFZCJ-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165669 457104501 /nfs/dbraw/zinc/10/45/01/457104501.db2.gz HIMOWNIZEYFZCJ-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165669 457104502 /nfs/dbraw/zinc/10/45/02/457104502.db2.gz HIMOWNIZEYFZCJ-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(O)ccc3Br)C2)C1 ZINC000354165669 457104503 /nfs/dbraw/zinc/10/45/03/457104503.db2.gz HIMOWNIZEYFZCJ-INIZCTEOSA-N 2 2 339.277 3.072 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433475 457116411 /nfs/dbraw/zinc/11/64/11/457116411.db2.gz LPGYWYZZKHRZGU-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433475 457116420 /nfs/dbraw/zinc/11/64/20/457116420.db2.gz LPGYWYZZKHRZGU-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433475 457116423 /nfs/dbraw/zinc/11/64/23/457116423.db2.gz LPGYWYZZKHRZGU-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433475 457116429 /nfs/dbraw/zinc/11/64/29/457116429.db2.gz LPGYWYZZKHRZGU-PZJWPPBQSA-N 2 2 343.515 3.014 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339440181 457119836 /nfs/dbraw/zinc/11/98/36/457119836.db2.gz NFNGYYDIPQCGGZ-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339440181 457119839 /nfs/dbraw/zinc/11/98/39/457119839.db2.gz NFNGYYDIPQCGGZ-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339440181 457119842 /nfs/dbraw/zinc/11/98/42/457119842.db2.gz NFNGYYDIPQCGGZ-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339440181 457119847 /nfs/dbraw/zinc/11/98/47/457119847.db2.gz NFNGYYDIPQCGGZ-DNVCBOLYSA-N 2 2 349.906 3.393 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211007 457132960 /nfs/dbraw/zinc/13/29/60/457132960.db2.gz VFDRNNWSCIVMLQ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211007 457132965 /nfs/dbraw/zinc/13/29/65/457132965.db2.gz VFDRNNWSCIVMLQ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211007 457132967 /nfs/dbraw/zinc/13/29/67/457132967.db2.gz VFDRNNWSCIVMLQ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211007 457132973 /nfs/dbraw/zinc/13/29/73/457132973.db2.gz VFDRNNWSCIVMLQ-GOEBONIOSA-N 2 2 335.517 3.152 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354218299 457136880 /nfs/dbraw/zinc/13/68/80/457136880.db2.gz AXFWDFQKHMBVHX-CABCVRRESA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354218299 457136888 /nfs/dbraw/zinc/13/68/88/457136888.db2.gz AXFWDFQKHMBVHX-CABCVRRESA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354218299 457136892 /nfs/dbraw/zinc/13/68/92/457136892.db2.gz AXFWDFQKHMBVHX-CABCVRRESA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354218299 457136897 /nfs/dbraw/zinc/13/68/97/457136897.db2.gz AXFWDFQKHMBVHX-CABCVRRESA-N 2 2 332.467 3.500 20 0 EGADLP C[N@H+](Cc1cc(Br)cc2cccnc21)[C@@H](C[NH3+])C1CC1 ZINC000359880044 457138215 /nfs/dbraw/zinc/13/82/15/457138215.db2.gz PGKHDXRHPAGWMJ-HNNXBMFYSA-N 2 2 334.261 3.166 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000350066072 457159280 /nfs/dbraw/zinc/15/92/80/457159280.db2.gz CVXPXLGSVRCUNR-XLIONFOSSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000350066072 457159286 /nfs/dbraw/zinc/15/92/86/457159286.db2.gz CVXPXLGSVRCUNR-XLIONFOSSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000350066072 457159290 /nfs/dbraw/zinc/15/92/90/457159290.db2.gz CVXPXLGSVRCUNR-XLIONFOSSA-N 2 2 345.531 3.012 20 0 EGADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000350066072 457159294 /nfs/dbraw/zinc/15/92/94/457159294.db2.gz CVXPXLGSVRCUNR-XLIONFOSSA-N 2 2 345.531 3.012 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000359952553 457167745 /nfs/dbraw/zinc/16/77/45/457167745.db2.gz NOLHBCUNGVWDQR-GFCCVEGCSA-N 2 2 341.858 3.269 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000359953106 457169474 /nfs/dbraw/zinc/16/94/74/457169474.db2.gz UBFOPICRUYPCIB-AWEZNQCLSA-N 2 2 337.895 3.358 20 0 EGADLP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000342213760 457172931 /nfs/dbraw/zinc/17/29/31/457172931.db2.gz WZDTXSOOUURJNM-CQSZACIVSA-N 2 2 333.863 3.393 20 0 EGADLP Cc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000359963353 457173818 /nfs/dbraw/zinc/17/38/18/457173818.db2.gz JUERVUOJCWGOOZ-UHFFFAOYSA-N 2 2 325.412 3.006 20 0 EGADLP Cc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1Oc1cc[nH+]cc1 ZINC000359963353 457173825 /nfs/dbraw/zinc/17/38/25/457173825.db2.gz JUERVUOJCWGOOZ-UHFFFAOYSA-N 2 2 325.412 3.006 20 0 EGADLP C[C@H]1CCC[C@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940841 457212834 /nfs/dbraw/zinc/21/28/34/457212834.db2.gz NCLCPKWGXBFQCK-OALUTQOASA-N 3 2 330.520 3.010 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000360046177 457223396 /nfs/dbraw/zinc/22/33/96/457223396.db2.gz OUXNSKOEUVJYIZ-IBGZPJMESA-N 2 2 325.456 3.438 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342304417 457225766 /nfs/dbraw/zinc/22/57/66/457225766.db2.gz IGBRURZVGJJCEJ-XLIONFOSSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000342304417 457225772 /nfs/dbraw/zinc/22/57/72/457225772.db2.gz IGBRURZVGJJCEJ-XLIONFOSSA-N 2 2 338.499 3.290 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c(C)[nH+]1 ZINC000331672034 457228152 /nfs/dbraw/zinc/22/81/52/457228152.db2.gz ZVNJCFJSPVACHB-UHFFFAOYSA-N 2 2 338.455 3.187 20 0 EGADLP Cc1cc(C)c(NC(=O)NCC[N@H+]2CCc3ccccc3C2)c(C)[nH+]1 ZINC000331672034 457228160 /nfs/dbraw/zinc/22/81/60/457228160.db2.gz ZVNJCFJSPVACHB-UHFFFAOYSA-N 2 2 338.455 3.187 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000347110544 457234197 /nfs/dbraw/zinc/23/41/97/457234197.db2.gz PVHBEPRLFFFGSQ-VQIMIIECSA-N 2 2 345.487 3.104 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000347110544 457234202 /nfs/dbraw/zinc/23/42/02/457234202.db2.gz PVHBEPRLFFFGSQ-VQIMIIECSA-N 2 2 345.487 3.104 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000347114506 457236872 /nfs/dbraw/zinc/23/68/72/457236872.db2.gz TXFYDCFPLBDZCZ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000347114506 457236877 /nfs/dbraw/zinc/23/68/77/457236877.db2.gz TXFYDCFPLBDZCZ-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331716785 457237164 /nfs/dbraw/zinc/23/71/64/457237164.db2.gz GRDVYXIGVYYOFP-SJORKVTESA-N 2 2 347.507 3.301 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331716785 457237172 /nfs/dbraw/zinc/23/71/72/457237172.db2.gz GRDVYXIGVYYOFP-SJORKVTESA-N 2 2 347.507 3.301 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000347197653 457284202 /nfs/dbraw/zinc/28/42/02/457284202.db2.gz HWBLRYVYHAYPEE-NXEZZACHSA-N 2 2 333.295 3.078 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Br ZINC000347197653 457284206 /nfs/dbraw/zinc/28/42/06/457284206.db2.gz HWBLRYVYHAYPEE-NXEZZACHSA-N 2 2 333.295 3.078 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000352305963 457354076 /nfs/dbraw/zinc/35/40/76/457354076.db2.gz VGZDJBXKNLPYRF-NCYKPQTJSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000352305963 457354081 /nfs/dbraw/zinc/35/40/81/457354081.db2.gz VGZDJBXKNLPYRF-NCYKPQTJSA-N 2 2 340.511 3.371 20 0 EGADLP COc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439106 457367762 /nfs/dbraw/zinc/36/77/62/457367762.db2.gz JQBGIPCRQSOCMD-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439106 457367767 /nfs/dbraw/zinc/36/77/67/457367767.db2.gz JQBGIPCRQSOCMD-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439106 457367771 /nfs/dbraw/zinc/36/77/71/457367771.db2.gz JQBGIPCRQSOCMD-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000352439106 457367775 /nfs/dbraw/zinc/36/77/75/457367775.db2.gz JQBGIPCRQSOCMD-PMACEKPBSA-N 2 2 337.467 3.044 20 0 EGADLP CCc1nnc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447853 457373376 /nfs/dbraw/zinc/37/33/76/457373376.db2.gz OVGBAZQYBMXDFV-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447853 457373382 /nfs/dbraw/zinc/37/33/82/457373382.db2.gz OVGBAZQYBMXDFV-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447853 457373388 /nfs/dbraw/zinc/37/33/88/457373388.db2.gz OVGBAZQYBMXDFV-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1nnc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000352447853 457373393 /nfs/dbraw/zinc/37/33/93/457373393.db2.gz OVGBAZQYBMXDFV-SZMVWBNQSA-N 2 2 340.471 3.147 20 0 EGADLP CC[C@@]1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)OCCc2ccccc21 ZINC000352465615 457389870 /nfs/dbraw/zinc/38/98/70/457389870.db2.gz LZIQSBUNMPOWBY-IBGZPJMESA-N 2 2 345.512 3.173 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1cccs1 ZINC000352512395 457428788 /nfs/dbraw/zinc/42/87/88/457428788.db2.gz XKUXOEUGECPLAS-PBHICJAKSA-N 2 2 337.533 3.155 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1cccs1 ZINC000352512395 457428793 /nfs/dbraw/zinc/42/87/93/457428793.db2.gz XKUXOEUGECPLAS-PBHICJAKSA-N 2 2 337.533 3.155 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105726 457438715 /nfs/dbraw/zinc/43/87/15/457438715.db2.gz IHZNCQZNYHXKSM-YOEHRIQHSA-N 2 2 348.450 3.290 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425105726 457438724 /nfs/dbraw/zinc/43/87/24/457438724.db2.gz IHZNCQZNYHXKSM-YOEHRIQHSA-N 2 2 348.450 3.290 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000352571340 457475595 /nfs/dbraw/zinc/47/55/95/457475595.db2.gz UAFSLJMKNDNMMK-UHFFFAOYSA-N 2 2 331.445 3.215 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000352571340 457475603 /nfs/dbraw/zinc/47/56/03/457475603.db2.gz UAFSLJMKNDNMMK-UHFFFAOYSA-N 2 2 331.445 3.215 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000370040672 457512838 /nfs/dbraw/zinc/51/28/38/457512838.db2.gz LVOXKLRGSXJALG-AWEZNQCLSA-N 2 2 342.487 3.285 20 0 EGADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]2C ZINC000425365243 457520480 /nfs/dbraw/zinc/52/04/80/457520480.db2.gz YAOCOJBXKOLPOJ-KGLIPLIRSA-N 2 2 328.460 3.003 20 0 EGADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]2C ZINC000425365243 457520484 /nfs/dbraw/zinc/52/04/84/457520484.db2.gz YAOCOJBXKOLPOJ-KGLIPLIRSA-N 2 2 328.460 3.003 20 0 EGADLP Cc1cncc(CC[NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000402724878 457533294 /nfs/dbraw/zinc/53/32/94/457533294.db2.gz OSNSQHRPRYNWMT-FQEVSTJZSA-N 2 2 326.488 3.074 20 0 EGADLP Cc1cncc(CC[NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000402724878 457533296 /nfs/dbraw/zinc/53/32/96/457533296.db2.gz OSNSQHRPRYNWMT-FQEVSTJZSA-N 2 2 326.488 3.074 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000406061908 457555206 /nfs/dbraw/zinc/55/52/06/457555206.db2.gz JSQKBHXIEFYXQS-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000406061908 457555212 /nfs/dbraw/zinc/55/52/12/457555212.db2.gz JSQKBHXIEFYXQS-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc(F)cc1 ZINC000361063573 457558942 /nfs/dbraw/zinc/55/89/42/457558942.db2.gz SFOJOYUPVJJZFS-UHFFFAOYSA-N 2 2 344.434 3.153 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000370310252 457616127 /nfs/dbraw/zinc/61/61/27/457616127.db2.gz YAZVEJGWVBRZJQ-MAUKXSAKSA-N 2 2 344.890 3.439 20 0 EGADLP Cc1cc(Cl)nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000370310252 457616134 /nfs/dbraw/zinc/61/61/34/457616134.db2.gz YAZVEJGWVBRZJQ-MAUKXSAKSA-N 2 2 344.890 3.439 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000374516775 457647125 /nfs/dbraw/zinc/64/71/25/457647125.db2.gz AAEVFOKRXSAZMF-IBGZPJMESA-N 3 2 326.488 3.164 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000374516775 457647128 /nfs/dbraw/zinc/64/71/28/457647128.db2.gz AAEVFOKRXSAZMF-IBGZPJMESA-N 3 2 326.488 3.164 20 0 EGADLP COC1CC[NH+](C2(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)CCCC2)CC1 ZINC000361217483 457649470 /nfs/dbraw/zinc/64/94/70/457649470.db2.gz RMLHOAQMIYZSLG-QGZVFWFLSA-N 2 2 338.536 3.346 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC000361254436 457668370 /nfs/dbraw/zinc/66/83/70/457668370.db2.gz YKNSYCWOOTUCGU-UONOGXRCSA-N 2 2 339.443 3.256 20 0 EGADLP CC(C)c1[nH+]c2ccccc2n1Cc1noc([C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000361254436 457668374 /nfs/dbraw/zinc/66/83/74/457668374.db2.gz YKNSYCWOOTUCGU-UONOGXRCSA-N 2 2 339.443 3.256 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717018 457679495 /nfs/dbraw/zinc/67/94/95/457679495.db2.gz NYBIDEHLJGYBLY-WSTZPKSXSA-N 2 2 330.520 3.481 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717018 457679497 /nfs/dbraw/zinc/67/94/97/457679497.db2.gz NYBIDEHLJGYBLY-WSTZPKSXSA-N 2 2 330.520 3.481 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717018 457679500 /nfs/dbraw/zinc/67/95/00/457679500.db2.gz NYBIDEHLJGYBLY-WSTZPKSXSA-N 2 2 330.520 3.481 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000364717018 457679502 /nfs/dbraw/zinc/67/95/02/457679502.db2.gz NYBIDEHLJGYBLY-WSTZPKSXSA-N 2 2 330.520 3.481 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000364759800 457688194 /nfs/dbraw/zinc/68/81/94/457688194.db2.gz WHHSDHVQXLFEQR-INIZCTEOSA-N 2 2 348.450 3.290 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000357791199 457690488 /nfs/dbraw/zinc/69/04/88/457690488.db2.gz LBUAFFCUWJAIJH-IRXDYDNUSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000357791199 457690491 /nfs/dbraw/zinc/69/04/91/457690491.db2.gz LBUAFFCUWJAIJH-IRXDYDNUSA-N 2 2 340.471 3.031 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794915 457692801 /nfs/dbraw/zinc/69/28/01/457692801.db2.gz ODKHQKJLZNHFIC-HKUYNNGSSA-N 2 2 334.504 3.401 20 0 EGADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1cc(C)ccc1OC ZINC000357794915 457692803 /nfs/dbraw/zinc/69/28/03/457692803.db2.gz ODKHQKJLZNHFIC-HKUYNNGSSA-N 2 2 334.504 3.401 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc2c(c1)CCO2 ZINC000370669618 457696587 /nfs/dbraw/zinc/69/65/87/457696587.db2.gz OCHHSDWYDLUQIZ-GOSISDBHSA-N 2 2 334.423 3.443 20 0 EGADLP C[N@H+](Cc1sccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374807234 457710881 /nfs/dbraw/zinc/71/08/81/457710881.db2.gz AWTPBFJZDDHJRM-AWEZNQCLSA-N 2 2 327.925 3.002 20 0 EGADLP C[N@@H+](Cc1sccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374807234 457710883 /nfs/dbraw/zinc/71/08/83/457710883.db2.gz AWTPBFJZDDHJRM-AWEZNQCLSA-N 2 2 327.925 3.002 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357861371 457715190 /nfs/dbraw/zinc/71/51/90/457715190.db2.gz XGHZWSRHFJWDOO-QUCCMNQESA-N 3 2 344.547 3.004 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000357861371 457715193 /nfs/dbraw/zinc/71/51/93/457715193.db2.gz XGHZWSRHFJWDOO-QUCCMNQESA-N 3 2 344.547 3.004 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)nnn1-c1ccccc1 ZINC000357880921 457722096 /nfs/dbraw/zinc/72/20/96/457722096.db2.gz QYVJORVHICFFFO-MRXNPFEDSA-N 2 2 341.503 3.348 20 0 EGADLP Cn1c(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)[nH+]c2cccc(F)c21 ZINC000443514869 457773818 /nfs/dbraw/zinc/77/38/18/457773818.db2.gz ZKHVGFUOCASSTC-HNNXBMFYSA-N 2 2 348.372 3.127 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426296951 457803216 /nfs/dbraw/zinc/80/32/16/457803216.db2.gz VNRNNKMTBMXATI-XJKSGUPXSA-N 2 2 337.305 3.454 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426296951 457803222 /nfs/dbraw/zinc/80/32/22/457803222.db2.gz VNRNNKMTBMXATI-XJKSGUPXSA-N 2 2 337.305 3.454 20 0 EGADLP C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358152743 457818872 /nfs/dbraw/zinc/81/88/72/457818872.db2.gz HXKHPQXXYIFQHZ-LIRRHRJNSA-N 2 2 325.387 3.396 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(F)cccc1Cl ZINC000371294770 457852846 /nfs/dbraw/zinc/85/28/46/457852846.db2.gz MZGRKUHVHICLAJ-OAUYIBNBSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(F)cccc1Cl ZINC000371294770 457852855 /nfs/dbraw/zinc/85/28/55/457852855.db2.gz MZGRKUHVHICLAJ-OAUYIBNBSA-N 2 2 326.843 3.163 20 0 EGADLP CN(Cc1c(F)cccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371303939 457856791 /nfs/dbraw/zinc/85/67/91/457856791.db2.gz GOPFVWVYAYCHFL-OAHLLOKOSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1c(F)cccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371303939 457856796 /nfs/dbraw/zinc/85/67/96/457856796.db2.gz GOPFVWVYAYCHFL-OAHLLOKOSA-N 2 2 339.886 3.079 20 0 EGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358236988 457878012 /nfs/dbraw/zinc/87/80/12/457878012.db2.gz VOMUJVQSUMLREJ-FQEVSTJZSA-N 2 2 325.431 3.462 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000361824756 457886968 /nfs/dbraw/zinc/88/69/68/457886968.db2.gz GMZLXPRMMOJCHU-SFHVURJKSA-N 2 2 341.455 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000361824756 457886972 /nfs/dbraw/zinc/88/69/72/457886972.db2.gz GMZLXPRMMOJCHU-SFHVURJKSA-N 2 2 341.455 3.487 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000366707291 457890939 /nfs/dbraw/zinc/89/09/39/457890939.db2.gz HADSTROFSMVMMV-KRWDZBQOSA-N 2 2 334.508 3.087 20 0 EGADLP COc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433992386 457927966 /nfs/dbraw/zinc/92/79/66/457927966.db2.gz ZRIGUFPASRREDQ-PXAZEXFGSA-N 2 2 335.835 3.092 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000411615822 457929870 /nfs/dbraw/zinc/92/98/70/457929870.db2.gz CKEPWGJEPKDFRG-GPVSGQMNSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000411615822 457929877 /nfs/dbraw/zinc/92/98/77/457929877.db2.gz CKEPWGJEPKDFRG-GPVSGQMNSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000444677905 457937056 /nfs/dbraw/zinc/93/70/56/457937056.db2.gz WYLNPOKBZUBUSH-SJORKVTESA-N 2 2 339.487 3.010 20 0 EGADLP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000444677905 457937058 /nfs/dbraw/zinc/93/70/58/457937058.db2.gz WYLNPOKBZUBUSH-SJORKVTESA-N 2 2 339.487 3.010 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468516 457947902 /nfs/dbraw/zinc/94/79/02/457947902.db2.gz AUKMTLYUOSNHQN-NJAFHUGGSA-N 2 2 349.544 3.484 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(C2CCCC2)s1 ZINC000371468516 457947908 /nfs/dbraw/zinc/94/79/08/457947908.db2.gz AUKMTLYUOSNHQN-NJAFHUGGSA-N 2 2 349.544 3.484 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)nnn1-c1ccccc1 ZINC000361926533 457959296 /nfs/dbraw/zinc/95/92/96/457959296.db2.gz KMRWMOQRPUJANI-OAHLLOKOSA-N 2 2 336.443 3.124 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(CC)noc2CC)[C@H](C)C1 ZINC000362015448 458006834 /nfs/dbraw/zinc/00/68/34/458006834.db2.gz OBQIVSOVMJJELK-QAPCUYQASA-N 2 2 337.508 3.026 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(CC)noc2CC)[C@H](C)C1 ZINC000362015448 458006837 /nfs/dbraw/zinc/00/68/37/458006837.db2.gz OBQIVSOVMJJELK-QAPCUYQASA-N 2 2 337.508 3.026 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cnn1-c1ccc(F)cc1 ZINC000427852164 458044211 /nfs/dbraw/zinc/04/42/11/458044211.db2.gz DZRUDXOJCVPYLO-BBRMVZONSA-N 2 2 339.418 3.182 20 0 EGADLP Cn1cc([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)cn1 ZINC000371745820 458058111 /nfs/dbraw/zinc/05/81/11/458058111.db2.gz FQUYQZWIRNSVPL-OAQYLSRUSA-N 2 2 343.434 3.485 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(F)c1C ZINC000435001807 458078482 /nfs/dbraw/zinc/07/84/82/458078482.db2.gz WMGGSKMSLNSHCA-CVEARBPZSA-N 2 2 333.451 3.021 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(F)c1C ZINC000435001807 458078487 /nfs/dbraw/zinc/07/84/87/458078487.db2.gz WMGGSKMSLNSHCA-CVEARBPZSA-N 2 2 333.451 3.021 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(F)c1C ZINC000435001807 458078491 /nfs/dbraw/zinc/07/84/91/458078491.db2.gz WMGGSKMSLNSHCA-CVEARBPZSA-N 2 2 333.451 3.021 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(F)c1C ZINC000435001807 458078496 /nfs/dbraw/zinc/07/84/96/458078496.db2.gz WMGGSKMSLNSHCA-CVEARBPZSA-N 2 2 333.451 3.021 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000375842158 458090671 /nfs/dbraw/zinc/09/06/71/458090671.db2.gz UWBUVGLXBBPBJS-GJZGRUSLSA-N 2 2 326.444 3.058 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000375842160 458090833 /nfs/dbraw/zinc/09/08/33/458090833.db2.gz UWBUVGLXBBPBJS-HUUCEWRRSA-N 2 2 326.444 3.058 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000445819996 458094832 /nfs/dbraw/zinc/09/48/32/458094832.db2.gz DUILIFWDNRBYHU-LJQANCHMSA-N 2 2 349.482 3.120 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000445819996 458094835 /nfs/dbraw/zinc/09/48/35/458094835.db2.gz DUILIFWDNRBYHU-LJQANCHMSA-N 2 2 349.482 3.120 20 0 EGADLP Fc1ccccc1C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420796 458141624 /nfs/dbraw/zinc/14/16/24/458141624.db2.gz DWPUTNQRBMFJSP-MRXNPFEDSA-N 2 2 331.460 3.427 20 0 EGADLP Fc1ccccc1C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420796 458141632 /nfs/dbraw/zinc/14/16/32/458141632.db2.gz DWPUTNQRBMFJSP-MRXNPFEDSA-N 2 2 331.460 3.427 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428430538 458142336 /nfs/dbraw/zinc/14/23/36/458142336.db2.gz NIZINIRBWYPOJU-DOTOQJQBSA-N 2 2 337.508 3.333 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2oc(C(C)C)nc2C)[C@@H](C)C1 ZINC000428430538 458142340 /nfs/dbraw/zinc/14/23/40/458142340.db2.gz NIZINIRBWYPOJU-DOTOQJQBSA-N 2 2 337.508 3.333 20 0 EGADLP CC(C)n1cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434430 458146103 /nfs/dbraw/zinc/14/61/03/458146103.db2.gz YBCQZRNJVRYMEN-MRXNPFEDSA-N 2 2 345.516 3.065 20 0 EGADLP CC(C)n1cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435434430 458146112 /nfs/dbraw/zinc/14/61/12/458146112.db2.gz YBCQZRNJVRYMEN-MRXNPFEDSA-N 2 2 345.516 3.065 20 0 EGADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435444792 458149760 /nfs/dbraw/zinc/14/97/60/458149760.db2.gz AVWUSWWZYGBKNJ-MRXNPFEDSA-N 2 2 331.485 3.072 20 0 EGADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000435444792 458149768 /nfs/dbraw/zinc/14/97/68/458149768.db2.gz AVWUSWWZYGBKNJ-MRXNPFEDSA-N 2 2 331.485 3.072 20 0 EGADLP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000435537801 458159318 /nfs/dbraw/zinc/15/93/18/458159318.db2.gz QZGKJVQMTJCOFC-NHAHKUSKSA-N 2 2 329.419 3.302 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)n2c1 ZINC000428559199 458169785 /nfs/dbraw/zinc/16/97/85/458169785.db2.gz PKVKYFYNHIAWLI-UYAOXDASSA-N 2 2 339.414 3.038 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000428863847 458223631 /nfs/dbraw/zinc/22/36/31/458223631.db2.gz RXLFQQIJPFAQNR-TXEJJXNPSA-N 2 2 336.423 3.356 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000428863847 458223636 /nfs/dbraw/zinc/22/36/36/458223636.db2.gz RXLFQQIJPFAQNR-TXEJJXNPSA-N 2 2 336.423 3.356 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412559203 458233716 /nfs/dbraw/zinc/23/37/16/458233716.db2.gz MUNHSPTXKGMXOT-UHFFFAOYSA-N 2 2 340.402 3.184 20 0 EGADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524696 458244739 /nfs/dbraw/zinc/24/47/39/458244739.db2.gz JFYVUHQVMQBNLH-KDOFPFPSSA-N 2 2 338.455 3.023 20 0 EGADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000362524696 458244745 /nfs/dbraw/zinc/24/47/45/458244745.db2.gz JFYVUHQVMQBNLH-KDOFPFPSSA-N 2 2 338.455 3.023 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364199 458291106 /nfs/dbraw/zinc/29/11/06/458291106.db2.gz DSBIFXONWJHXTF-MAUKXSAKSA-N 2 2 326.488 3.432 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cnn1C ZINC000372364199 458291109 /nfs/dbraw/zinc/29/11/09/458291109.db2.gz DSBIFXONWJHXTF-MAUKXSAKSA-N 2 2 326.488 3.432 20 0 EGADLP COc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1OC(F)F ZINC000376727795 458376911 /nfs/dbraw/zinc/37/69/11/458376911.db2.gz GMYPSIARSLOVCJ-UHFFFAOYSA-N 2 2 337.370 3.119 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000373115941 458401676 /nfs/dbraw/zinc/40/16/76/458401676.db2.gz PSZJYIMMELWZKR-ZDUSSCGKSA-N 2 2 343.862 3.340 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000373115941 458401678 /nfs/dbraw/zinc/40/16/78/458401678.db2.gz PSZJYIMMELWZKR-ZDUSSCGKSA-N 2 2 343.862 3.340 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1O ZINC000459552109 458408298 /nfs/dbraw/zinc/40/82/98/458408298.db2.gz RBUAAUVKBWYHEV-CYBMUJFWSA-N 2 2 335.835 3.167 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Cl)c1O ZINC000459552109 458408300 /nfs/dbraw/zinc/40/83/00/458408300.db2.gz RBUAAUVKBWYHEV-CYBMUJFWSA-N 2 2 335.835 3.167 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000459553800 458408867 /nfs/dbraw/zinc/40/88/67/458408867.db2.gz ZKJYPGLYWWGGRG-CQSZACIVSA-N 2 2 341.484 3.305 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000459553800 458408873 /nfs/dbraw/zinc/40/88/73/458408873.db2.gz ZKJYPGLYWWGGRG-CQSZACIVSA-N 2 2 341.484 3.305 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000437142731 458430391 /nfs/dbraw/zinc/43/03/91/458430391.db2.gz GVOHYUSGWBWJCN-AZUAARDMSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000437142731 458430393 /nfs/dbraw/zinc/43/03/93/458430393.db2.gz GVOHYUSGWBWJCN-AZUAARDMSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000437142731 458430394 /nfs/dbraw/zinc/43/03/94/458430394.db2.gz GVOHYUSGWBWJCN-AZUAARDMSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000437142731 458430397 /nfs/dbraw/zinc/43/03/97/458430397.db2.gz GVOHYUSGWBWJCN-AZUAARDMSA-N 2 2 336.483 3.376 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000423508799 458446435 /nfs/dbraw/zinc/44/64/35/458446435.db2.gz JHRNGNIQKVUWPV-TYCQWZJGSA-N 2 2 340.467 3.118 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC000423510073 458448027 /nfs/dbraw/zinc/44/80/27/458448027.db2.gz RZFKBUCOAFAUPO-BQJUDKOJSA-N 3 2 327.516 3.004 20 0 EGADLP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCCC1 ZINC000423510073 458448032 /nfs/dbraw/zinc/44/80/32/458448032.db2.gz RZFKBUCOAFAUPO-BQJUDKOJSA-N 3 2 327.516 3.004 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH2+]C2CC2)nnn1-c1cccc(Cl)c1 ZINC000423527064 458452726 /nfs/dbraw/zinc/45/27/26/458452726.db2.gz MBFAEBOKNAJYEV-LBPRGKRZSA-N 2 2 333.867 3.022 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000430553054 458459949 /nfs/dbraw/zinc/45/99/49/458459949.db2.gz SUNBNMZRWOWYSY-LDQXTDLNSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000430553054 458459951 /nfs/dbraw/zinc/45/99/51/458459951.db2.gz SUNBNMZRWOWYSY-LDQXTDLNSA-N 2 2 343.515 3.093 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C(C)C)cc1 ZINC000430570328 458463395 /nfs/dbraw/zinc/46/33/95/458463395.db2.gz NBSJRTXXOWKODJ-RTWAWAEBSA-N 2 2 345.531 3.340 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573936 458463458 /nfs/dbraw/zinc/46/34/58/458463458.db2.gz RQXAAZVRBUVVQI-ILXRZTDVSA-N 2 2 337.895 3.343 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)c1 ZINC000430573936 458463463 /nfs/dbraw/zinc/46/34/63/458463463.db2.gz RQXAAZVRBUVVQI-ILXRZTDVSA-N 2 2 337.895 3.343 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000430578704 458465686 /nfs/dbraw/zinc/46/56/86/458465686.db2.gz BERIUGVEBGXYNN-NSHDSACASA-N 2 2 346.302 3.087 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000430578704 458465688 /nfs/dbraw/zinc/46/56/88/458465688.db2.gz BERIUGVEBGXYNN-NSHDSACASA-N 2 2 346.302 3.087 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000430585833 458466498 /nfs/dbraw/zinc/46/64/98/458466498.db2.gz XNIUNSGKSRGUHM-SFTDATJTSA-N 2 2 345.531 3.387 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604105 458470768 /nfs/dbraw/zinc/47/07/68/458470768.db2.gz LYNDVXFZWDXMQS-RYUDHWBXSA-N 2 2 344.286 3.252 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430604105 458470771 /nfs/dbraw/zinc/47/07/71/458470771.db2.gz LYNDVXFZWDXMQS-RYUDHWBXSA-N 2 2 344.286 3.252 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430623035 458472728 /nfs/dbraw/zinc/47/27/28/458472728.db2.gz GGOQFGLCOYVPBF-HOTGVXAUSA-N 2 2 331.504 3.070 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430623035 458472731 /nfs/dbraw/zinc/47/27/31/458472731.db2.gz GGOQFGLCOYVPBF-HOTGVXAUSA-N 2 2 331.504 3.070 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000430640308 458474263 /nfs/dbraw/zinc/47/42/63/458474263.db2.gz HAIZSRRQTGWDRS-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000430640308 458474269 /nfs/dbraw/zinc/47/42/69/458474269.db2.gz HAIZSRRQTGWDRS-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000430640305 458474341 /nfs/dbraw/zinc/47/43/41/458474341.db2.gz HAIZSRRQTGWDRS-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000430640305 458474342 /nfs/dbraw/zinc/47/43/42/458474342.db2.gz HAIZSRRQTGWDRS-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430646152 458474510 /nfs/dbraw/zinc/47/45/10/458474510.db2.gz DMCBBZYSPIOLGS-GOSISDBHSA-N 2 2 337.467 3.495 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000430646152 458474515 /nfs/dbraw/zinc/47/45/15/458474515.db2.gz DMCBBZYSPIOLGS-GOSISDBHSA-N 2 2 337.467 3.495 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430958991 458511236 /nfs/dbraw/zinc/51/12/36/458511236.db2.gz VGWLGYDWLDFAAQ-KDOFPFPSSA-N 2 2 345.874 3.483 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430958991 458511240 /nfs/dbraw/zinc/51/12/40/458511240.db2.gz VGWLGYDWLDFAAQ-KDOFPFPSSA-N 2 2 345.874 3.483 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430959707 458511584 /nfs/dbraw/zinc/51/15/84/458511584.db2.gz DDXSLBZBAOVHMB-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000430959707 458511592 /nfs/dbraw/zinc/51/15/92/458511592.db2.gz DDXSLBZBAOVHMB-OAHLLOKOSA-N 2 2 327.428 3.087 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(C)(C)C3CCCCC3)C2)CC1 ZINC000373508245 458513188 /nfs/dbraw/zinc/51/31/88/458513188.db2.gz KGDKDJZXWAHGSR-GOSISDBHSA-N 2 2 349.563 3.268 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(C)(C)C3CCCCC3)C2)CC1 ZINC000373508245 458513191 /nfs/dbraw/zinc/51/31/91/458513191.db2.gz KGDKDJZXWAHGSR-GOSISDBHSA-N 2 2 349.563 3.268 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)CC[C@@H]3CCC[NH2+]3)ccc2n1C1CC1 ZINC000423935168 458515135 /nfs/dbraw/zinc/51/51/35/458515135.db2.gz YYEUWQFCCKLUPC-HNNXBMFYSA-N 2 2 340.471 3.082 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377890064 458566124 /nfs/dbraw/zinc/56/61/24/458566124.db2.gz RSPVJUFXFCKUHF-KRWDZBQOSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000377890064 458566125 /nfs/dbraw/zinc/56/61/25/458566125.db2.gz RSPVJUFXFCKUHF-KRWDZBQOSA-N 2 2 335.455 3.212 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000373721671 458583332 /nfs/dbraw/zinc/58/33/32/458583332.db2.gz VQISMXOOMMERGZ-QGZVFWFLSA-N 2 2 347.507 3.014 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000373721671 458583337 /nfs/dbraw/zinc/58/33/37/458583337.db2.gz VQISMXOOMMERGZ-QGZVFWFLSA-N 2 2 347.507 3.014 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772258 458590836 /nfs/dbraw/zinc/59/08/36/458590836.db2.gz KPJWPNFHMPBYSC-DLBZAZTESA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772258 458590841 /nfs/dbraw/zinc/59/08/41/458590841.db2.gz KPJWPNFHMPBYSC-DLBZAZTESA-N 2 2 344.421 3.245 20 0 EGADLP C[NH+](C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493890455 458595891 /nfs/dbraw/zinc/59/58/91/458595891.db2.gz DQOWMIMZZPZJSA-ZGXWSNOMSA-N 2 2 328.500 3.097 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000424334777 458619120 /nfs/dbraw/zinc/61/91/20/458619120.db2.gz OHHGULJWUBUNDM-RTBURBONSA-N 2 2 339.439 3.277 20 0 EGADLP CCCc1csc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)n1 ZINC000494137891 458631502 /nfs/dbraw/zinc/63/15/02/458631502.db2.gz VCSFFNCNGQDVCK-UHFFFAOYSA-N 2 2 325.522 3.075 20 0 EGADLP CC1=CC[N@H+](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000546569490 458638345 /nfs/dbraw/zinc/63/83/45/458638345.db2.gz JECSQVPMZMNJRX-UHFFFAOYSA-N 2 2 337.423 3.256 20 0 EGADLP CC1=CC[N@@H+](CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000546569490 458638349 /nfs/dbraw/zinc/63/83/49/458638349.db2.gz JECSQVPMZMNJRX-UHFFFAOYSA-N 2 2 337.423 3.256 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575279 458639855 /nfs/dbraw/zinc/63/98/55/458639855.db2.gz WTBAQZWNABZQBY-MOPGFXCFSA-N 2 2 348.849 3.225 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)C1 ZINC000546575279 458639863 /nfs/dbraw/zinc/63/98/63/458639863.db2.gz WTBAQZWNABZQBY-MOPGFXCFSA-N 2 2 348.849 3.225 20 0 EGADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)c1C ZINC000424430378 458643382 /nfs/dbraw/zinc/64/33/82/458643382.db2.gz BQTOAEWYIYAADG-UHFFFAOYSA-N 2 2 342.443 3.138 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286212 458644052 /nfs/dbraw/zinc/64/40/52/458644052.db2.gz XAMOAJFQANHHOT-WMZOPIPTSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286212 458644058 /nfs/dbraw/zinc/64/40/58/458644058.db2.gz XAMOAJFQANHHOT-WMZOPIPTSA-N 2 2 334.504 3.407 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000470984218 458672141 /nfs/dbraw/zinc/67/21/41/458672141.db2.gz QYPWIDJGXQKWQD-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000470984218 458672147 /nfs/dbraw/zinc/67/21/47/458672147.db2.gz QYPWIDJGXQKWQD-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000470984218 458672154 /nfs/dbraw/zinc/67/21/54/458672154.db2.gz QYPWIDJGXQKWQD-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000470984218 458672160 /nfs/dbraw/zinc/67/21/60/458672160.db2.gz QYPWIDJGXQKWQD-MJGOQNOKSA-N 2 2 343.515 3.294 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432242053 458703750 /nfs/dbraw/zinc/70/37/50/458703750.db2.gz VTUVDIIAVQPPBT-UHFFFAOYSA-N 2 2 335.250 3.333 20 0 EGADLP C[C@H]([C@H]1CCC[NH2+]1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530212191 458718584 /nfs/dbraw/zinc/71/85/84/458718584.db2.gz PROVNOFYQQRIBZ-RHSMWYFYSA-N 2 2 332.492 3.122 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194683 458898928 /nfs/dbraw/zinc/89/89/28/458898928.db2.gz GIPVRFGEQVFIKF-XLIONFOSSA-N 2 2 349.478 3.176 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880257 458916497 /nfs/dbraw/zinc/91/64/97/458916497.db2.gz JFWXDPISRGZWTJ-OAQYLSRUSA-N 2 2 339.483 3.026 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880257 458916502 /nfs/dbraw/zinc/91/65/02/458916502.db2.gz JFWXDPISRGZWTJ-OAQYLSRUSA-N 2 2 339.483 3.026 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880257 458916509 /nfs/dbraw/zinc/91/65/09/458916509.db2.gz JFWXDPISRGZWTJ-OAQYLSRUSA-N 2 2 339.483 3.026 20 0 EGADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000555880257 458916514 /nfs/dbraw/zinc/91/65/14/458916514.db2.gz JFWXDPISRGZWTJ-OAQYLSRUSA-N 2 2 339.483 3.026 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000566439824 458932938 /nfs/dbraw/zinc/93/29/38/458932938.db2.gz OVUXODLIMHWYOY-OAHLLOKOSA-N 2 2 326.444 3.131 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000566439824 458932947 /nfs/dbraw/zinc/93/29/47/458932947.db2.gz OVUXODLIMHWYOY-OAHLLOKOSA-N 2 2 326.444 3.131 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441414617 458937466 /nfs/dbraw/zinc/93/74/66/458937466.db2.gz KJEWKMRAWGQLGV-HKUYNNGSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441414617 458937473 /nfs/dbraw/zinc/93/74/73/458937473.db2.gz KJEWKMRAWGQLGV-HKUYNNGSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441414617 458937481 /nfs/dbraw/zinc/93/74/81/458937481.db2.gz KJEWKMRAWGQLGV-HKUYNNGSSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cccc(C)c1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441414617 458937483 /nfs/dbraw/zinc/93/74/83/458937483.db2.gz KJEWKMRAWGQLGV-HKUYNNGSSA-N 2 2 341.499 3.191 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441417076 458939200 /nfs/dbraw/zinc/93/92/00/458939200.db2.gz FJJGGDQCEHFWSA-UYAOXDASSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441417076 458939206 /nfs/dbraw/zinc/93/92/06/458939206.db2.gz FJJGGDQCEHFWSA-UYAOXDASSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441417076 458939216 /nfs/dbraw/zinc/93/92/16/458939216.db2.gz FJJGGDQCEHFWSA-UYAOXDASSA-N 2 2 349.563 3.364 20 0 EGADLP CCCCN(CCCC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441417076 458939218 /nfs/dbraw/zinc/93/92/18/458939218.db2.gz FJJGGDQCEHFWSA-UYAOXDASSA-N 2 2 349.563 3.364 20 0 EGADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(CF)CC1 ZINC000556289758 458946143 /nfs/dbraw/zinc/94/61/43/458946143.db2.gz IMIMVRULRUEYIV-CYBMUJFWSA-N 2 2 330.407 3.085 20 0 EGADLP Cc1cccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1F ZINC000519864125 459017125 /nfs/dbraw/zinc/01/71/25/459017125.db2.gz KWISHFAGJBMAKX-HXUWFJFHSA-N 2 2 341.474 3.212 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2noc3ccccc32)CC1 ZINC000566924394 459022567 /nfs/dbraw/zinc/02/25/67/459022567.db2.gz PRRDNXNNQFWZMP-UHFFFAOYSA-N 2 2 327.350 3.334 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NCCCC1CCCCC1 ZINC000532160426 459040270 /nfs/dbraw/zinc/04/02/70/459040270.db2.gz IVHAPEDBBRITRD-HXUWFJFHSA-N 2 2 349.563 3.413 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NCCCC1CCCCC1 ZINC000532160426 459040274 /nfs/dbraw/zinc/04/02/74/459040274.db2.gz IVHAPEDBBRITRD-HXUWFJFHSA-N 2 2 349.563 3.413 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274169 459060192 /nfs/dbraw/zinc/06/01/92/459060192.db2.gz UYJFZZDBHNXJCA-MEDUHNTESA-N 2 2 341.268 3.203 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274169 459060200 /nfs/dbraw/zinc/06/02/00/459060200.db2.gz UYJFZZDBHNXJCA-MEDUHNTESA-N 2 2 341.268 3.203 20 0 EGADLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Cl)c1OC ZINC000557350071 459065554 /nfs/dbraw/zinc/06/55/54/459065554.db2.gz OKXUGDUCGSJIOH-UHFFFAOYSA-N 2 2 335.835 3.180 20 0 EGADLP Clc1cccc2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000557686069 459099639 /nfs/dbraw/zinc/09/96/39/459099639.db2.gz LKFMMMJVMCBUBQ-HNNXBMFYSA-N 2 2 345.874 3.437 20 0 EGADLP COc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000532778062 459142902 /nfs/dbraw/zinc/14/29/02/459142902.db2.gz JPNNQXFSSAHQFY-WMLDXEAASA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778062 459142908 /nfs/dbraw/zinc/14/29/08/459142908.db2.gz JPNNQXFSSAHQFY-WMLDXEAASA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778062 459142911 /nfs/dbraw/zinc/14/29/11/459142911.db2.gz JPNNQXFSSAHQFY-WMLDXEAASA-N 2 2 335.879 3.192 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)cc1OC ZINC000578202283 459161273 /nfs/dbraw/zinc/16/12/73/459161273.db2.gz AUFRKZCNKGCHFR-JSGCOSHPSA-N 2 2 347.484 3.139 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)cs2)cc1OC ZINC000578202283 459161278 /nfs/dbraw/zinc/16/12/78/459161278.db2.gz AUFRKZCNKGCHFR-JSGCOSHPSA-N 2 2 347.484 3.139 20 0 EGADLP CC(C[NH+](C)Cc1cccc(O)c1)C[N@H+](C)Cc1cccc(O)c1 ZINC000532988047 459172056 /nfs/dbraw/zinc/17/20/56/459172056.db2.gz DOXVIYZJTSTZRK-UHFFFAOYSA-N 2 2 328.456 3.298 20 0 EGADLP CC(C[NH+](C)Cc1cccc(O)c1)C[N@@H+](C)Cc1cccc(O)c1 ZINC000532988047 459172059 /nfs/dbraw/zinc/17/20/59/459172059.db2.gz DOXVIYZJTSTZRK-UHFFFAOYSA-N 2 2 328.456 3.298 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031613 459178531 /nfs/dbraw/zinc/17/85/31/459178531.db2.gz YDEVSMNVDAATGI-YLJYHZDGSA-N 2 2 334.504 3.481 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000480031613 459178535 /nfs/dbraw/zinc/17/85/35/459178535.db2.gz YDEVSMNVDAATGI-YLJYHZDGSA-N 2 2 334.504 3.481 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483588 459241310 /nfs/dbraw/zinc/24/13/10/459241310.db2.gz WWMPRQHBVXWENC-YWPYOKSTSA-N 2 2 330.516 3.188 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483588 459241318 /nfs/dbraw/zinc/24/13/18/459241318.db2.gz WWMPRQHBVXWENC-YWPYOKSTSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483588 459241326 /nfs/dbraw/zinc/24/13/26/459241326.db2.gz WWMPRQHBVXWENC-YWPYOKSTSA-N 2 2 330.516 3.188 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000533483588 459241332 /nfs/dbraw/zinc/24/13/32/459241332.db2.gz WWMPRQHBVXWENC-YWPYOKSTSA-N 2 2 330.516 3.188 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000559268059 459247858 /nfs/dbraw/zinc/24/78/58/459247858.db2.gz WAYCFBPFAGQMRS-AWEZNQCLSA-N 2 2 330.407 3.214 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000559268059 459247861 /nfs/dbraw/zinc/24/78/61/459247861.db2.gz WAYCFBPFAGQMRS-AWEZNQCLSA-N 2 2 330.407 3.214 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000559753074 459275595 /nfs/dbraw/zinc/27/55/95/459275595.db2.gz KYHNNQAPVVHXDB-NQIIRXRSSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000559753074 459275602 /nfs/dbraw/zinc/27/56/02/459275602.db2.gz KYHNNQAPVVHXDB-NQIIRXRSSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000559753073 459275976 /nfs/dbraw/zinc/27/59/76/459275976.db2.gz KYHNNQAPVVHXDB-GHTZIAJQSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000559753073 459275981 /nfs/dbraw/zinc/27/59/81/459275981.db2.gz KYHNNQAPVVHXDB-GHTZIAJQSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000559959559 459287278 /nfs/dbraw/zinc/28/72/78/459287278.db2.gz WVBVHRPKRJZHPH-WBVHZDCISA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000559959559 459287283 /nfs/dbraw/zinc/28/72/83/459287283.db2.gz WVBVHRPKRJZHPH-WBVHZDCISA-N 2 2 326.488 3.491 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000482248673 459298719 /nfs/dbraw/zinc/29/87/19/459298719.db2.gz NZOANEMVTOEQLH-CQSZACIVSA-N 2 2 338.879 3.337 20 0 EGADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000482248673 459298722 /nfs/dbraw/zinc/29/87/22/459298722.db2.gz NZOANEMVTOEQLH-CQSZACIVSA-N 2 2 338.879 3.337 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083592 459309871 /nfs/dbraw/zinc/30/98/71/459309871.db2.gz ZFJJNNGWHWBLSZ-CQSZACIVSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083592 459309877 /nfs/dbraw/zinc/30/98/77/459309877.db2.gz ZFJJNNGWHWBLSZ-CQSZACIVSA-N 2 2 332.835 3.121 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082993 459310439 /nfs/dbraw/zinc/31/04/39/459310439.db2.gz XJNGGKPDPZGHMP-STQMWFEESA-N 2 2 329.429 3.393 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082993 459310443 /nfs/dbraw/zinc/31/04/43/459310443.db2.gz XJNGGKPDPZGHMP-STQMWFEESA-N 2 2 329.429 3.393 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000482534509 459314305 /nfs/dbraw/zinc/31/43/05/459314305.db2.gz QQQAHLAFRCHGMT-STZQEDGTSA-N 2 2 338.495 3.090 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000482534509 459314308 /nfs/dbraw/zinc/31/43/08/459314308.db2.gz QQQAHLAFRCHGMT-STZQEDGTSA-N 2 2 338.495 3.090 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000591195570 459330574 /nfs/dbraw/zinc/33/05/74/459330574.db2.gz CYWKLHAVNXICTD-IBGZPJMESA-N 2 2 340.471 3.007 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)n1cc[nH+]c1 ZINC000582304460 459342898 /nfs/dbraw/zinc/34/28/98/459342898.db2.gz PJCCSXAHDWXXOU-INIZCTEOSA-N 2 2 326.444 3.111 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000560558152 459373509 /nfs/dbraw/zinc/37/35/09/459373509.db2.gz OHNCKSXCYYMQSN-NIAVFTRYSA-N 2 2 328.500 3.410 20 0 EGADLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000560558152 459373515 /nfs/dbraw/zinc/37/35/15/459373515.db2.gz OHNCKSXCYYMQSN-NIAVFTRYSA-N 2 2 328.500 3.410 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000524979707 459409237 /nfs/dbraw/zinc/40/92/37/459409237.db2.gz WDFATTCILDUVCW-LJQANCHMSA-N 2 2 348.450 3.001 20 0 EGADLP CCC1(C[N@@H+]2CCCN(Cc3[nH+]ccn3C(C)C)CC2)CCOCC1 ZINC000540972470 459413676 /nfs/dbraw/zinc/41/36/76/459413676.db2.gz IPFFRHHXRVOKMV-UHFFFAOYSA-N 2 2 348.535 3.179 20 0 EGADLP CCC1(C[N@H+]2CCCN(Cc3[nH+]ccn3C(C)C)CC2)CCOCC1 ZINC000540972470 459413677 /nfs/dbraw/zinc/41/36/77/459413677.db2.gz IPFFRHHXRVOKMV-UHFFFAOYSA-N 2 2 348.535 3.179 20 0 EGADLP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000582858502 459440532 /nfs/dbraw/zinc/44/05/32/459440532.db2.gz GUZSNGBEZLMJSR-HNAYVOBHSA-N 2 2 336.907 3.445 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866968 459457521 /nfs/dbraw/zinc/45/75/21/459457521.db2.gz LDWDOQGASXPWNZ-MRXNPFEDSA-N 2 2 340.471 3.456 20 0 EGADLP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866968 459457527 /nfs/dbraw/zinc/45/75/27/459457527.db2.gz LDWDOQGASXPWNZ-MRXNPFEDSA-N 2 2 340.471 3.456 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000582976852 459460484 /nfs/dbraw/zinc/46/04/84/459460484.db2.gz VIIDPWJKGITSLG-IRXDYDNUSA-N 2 2 347.503 3.122 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000583052281 459473333 /nfs/dbraw/zinc/47/33/33/459473333.db2.gz ZTCUETFXTOGAQP-INIZCTEOSA-N 2 2 332.488 3.326 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000583052281 459473336 /nfs/dbraw/zinc/47/33/36/459473336.db2.gz ZTCUETFXTOGAQP-INIZCTEOSA-N 2 2 332.488 3.326 20 0 EGADLP c1cc(N[C@H]2CC[C@@H]2C2CC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000562080863 459510096 /nfs/dbraw/zinc/51/00/96/459510096.db2.gz PJHVMRLVKLAMRY-SJORKVTESA-N 2 2 340.471 3.038 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C2 ZINC000526003871 459530995 /nfs/dbraw/zinc/53/09/95/459530995.db2.gz BLHYKWSXQYLNCO-OWCLPIDISA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C2 ZINC000526003871 459530996 /nfs/dbraw/zinc/53/09/96/459530996.db2.gz BLHYKWSXQYLNCO-OWCLPIDISA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)CC2 ZINC000526003871 459530999 /nfs/dbraw/zinc/53/09/99/459530999.db2.gz BLHYKWSXQYLNCO-OWCLPIDISA-N 2 2 346.519 3.017 20 0 EGADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)CC2 ZINC000526003871 459531002 /nfs/dbraw/zinc/53/10/02/459531002.db2.gz BLHYKWSXQYLNCO-OWCLPIDISA-N 2 2 346.519 3.017 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@H]3CCO[C@@H](c4ccncc4)C3)cc2)c[nH+]1 ZINC000583421648 459534190 /nfs/dbraw/zinc/53/41/90/459534190.db2.gz IBUFFPPQRDLMNN-AZUAARDMSA-N 2 2 334.423 3.277 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000583807998 459600192 /nfs/dbraw/zinc/60/01/92/459600192.db2.gz MTHURKUEVSNDSE-MRXNPFEDSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000583807998 459600199 /nfs/dbraw/zinc/60/01/99/459600199.db2.gz MTHURKUEVSNDSE-MRXNPFEDSA-N 2 2 333.451 3.069 20 0 EGADLP C[C@H](CCNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1 ZINC000562612729 459601824 /nfs/dbraw/zinc/60/18/24/459601824.db2.gz HSQKKPXTFFHDKY-XLIONFOSSA-N 2 2 338.499 3.250 20 0 EGADLP Clc1cnccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000527634829 459678629 /nfs/dbraw/zinc/67/86/29/459678629.db2.gz ROCWCFKXRCIYFG-UHFFFAOYSA-N 2 2 344.890 3.037 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccsc2C(F)(F)F)C[C@H](C)O1 ZINC000527633066 459679276 /nfs/dbraw/zinc/67/92/76/459679276.db2.gz LWNSPKNPEPWUIU-RYUDHWBXSA-N 2 2 336.423 3.356 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527638860 459680808 /nfs/dbraw/zinc/68/08/08/459680808.db2.gz NIPIEFZJKDSWBA-GJZGRUSLSA-N 2 2 347.532 3.001 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000584214099 459681014 /nfs/dbraw/zinc/68/10/14/459681014.db2.gz RGQSJNZNARFYAW-HKUYNNGSSA-N 2 2 348.556 3.102 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527647355 459684344 /nfs/dbraw/zinc/68/43/44/459684344.db2.gz DAKNOJOXGRFITA-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC000527647355 459684349 /nfs/dbraw/zinc/68/43/49/459684349.db2.gz DAKNOJOXGRFITA-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218355 459742029 /nfs/dbraw/zinc/74/20/29/459742029.db2.gz UNBUOSDPYNDNDB-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218355 459742035 /nfs/dbraw/zinc/74/20/35/459742035.db2.gz UNBUOSDPYNDNDB-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218355 459742043 /nfs/dbraw/zinc/74/20/43/459742043.db2.gz UNBUOSDPYNDNDB-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cnc(C)nc3)C2)s1 ZINC000563218355 459742052 /nfs/dbraw/zinc/74/20/52/459742052.db2.gz UNBUOSDPYNDNDB-INIZCTEOSA-N 2 2 330.501 3.109 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573931384 459759807 /nfs/dbraw/zinc/75/98/07/459759807.db2.gz TZJROSURCQDGAQ-RYUDHWBXSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573931384 459759809 /nfs/dbraw/zinc/75/98/09/459759809.db2.gz TZJROSURCQDGAQ-RYUDHWBXSA-N 2 2 329.429 3.082 20 0 EGADLP COc1ccc[nH+]c1N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000527943861 459778556 /nfs/dbraw/zinc/77/85/56/459778556.db2.gz BMYXSBQUAJNQAO-UHFFFAOYSA-N 2 2 326.444 3.228 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3Cc4ccccc4NC3=O)CC2)C1 ZINC000528001296 459792078 /nfs/dbraw/zinc/79/20/78/459792078.db2.gz OYQGGZQYJUZNKB-BPAFIMBUSA-N 2 2 341.499 3.183 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000528004079 459793516 /nfs/dbraw/zinc/79/35/16/459793516.db2.gz VCTJXDXQWZMEDD-SJLPKXTDSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000528004079 459793520 /nfs/dbraw/zinc/79/35/20/459793520.db2.gz VCTJXDXQWZMEDD-SJLPKXTDSA-N 2 2 330.472 3.298 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)N[C@@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000566039404 459796325 /nfs/dbraw/zinc/79/63/25/459796325.db2.gz ONAJDIQOIAMPTF-FPOVZHCZSA-N 2 2 347.547 3.078 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H](C[NH+]1CCOCC1)c1ccccc1C ZINC000566039404 459796327 /nfs/dbraw/zinc/79/63/27/459796327.db2.gz ONAJDIQOIAMPTF-FPOVZHCZSA-N 2 2 347.547 3.078 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000545209003 459809758 /nfs/dbraw/zinc/80/97/58/459809758.db2.gz NALNWSXLTJCLNZ-SFHVURJKSA-N 2 2 346.515 3.242 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1F ZINC000597050778 459825049 /nfs/dbraw/zinc/82/50/49/459825049.db2.gz DHINOUXNAVCCHN-IBGZPJMESA-N 2 2 344.430 3.313 20 0 EGADLP Cc1nccc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000585749084 459840762 /nfs/dbraw/zinc/84/07/62/459840762.db2.gz SHCDXNYDXRTXMJ-SFHVURJKSA-N 2 2 333.439 3.350 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@](C)(O)C(F)(F)F)ccc2n1C1CC1 ZINC000575175792 459941585 /nfs/dbraw/zinc/94/15/85/459941585.db2.gz RUHKOAGKVYCZPT-INIZCTEOSA-N 2 2 341.377 3.337 20 0 EGADLP CCSc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000625103160 460033342 /nfs/dbraw/zinc/03/33/42/460033342.db2.gz XXIXXTOZEISCPM-CHWSQXEVSA-N 2 2 341.318 3.212 20 0 EGADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602770410 460115280 /nfs/dbraw/zinc/11/52/80/460115280.db2.gz BRPXOEUWHYGLTF-KRWDZBQOSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602770410 460115290 /nfs/dbraw/zinc/11/52/90/460115290.db2.gz BRPXOEUWHYGLTF-KRWDZBQOSA-N 2 2 337.423 3.088 20 0 EGADLP COC(=O)CC1CCC([NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000599030420 460134121 /nfs/dbraw/zinc/13/41/21/460134121.db2.gz FSKDFKUONGXIMT-KVZIAJEVSA-N 2 2 332.488 3.309 20 0 EGADLP Clc1ccc2c(ccn2CC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625544820 460202558 /nfs/dbraw/zinc/20/25/58/460202558.db2.gz DBBNFGYILQVJGN-UHFFFAOYSA-N 2 2 347.890 3.091 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1F ZINC000610681060 460214246 /nfs/dbraw/zinc/21/42/46/460214246.db2.gz RMWHHIFDKDTGEX-UHFFFAOYSA-N 2 2 341.386 3.060 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000599309039 460225776 /nfs/dbraw/zinc/22/57/76/460225776.db2.gz MLGRQKNUEMROOA-CRAIPNDOSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000599309039 460225778 /nfs/dbraw/zinc/22/57/78/460225778.db2.gz MLGRQKNUEMROOA-CRAIPNDOSA-N 2 2 349.906 3.030 20 0 EGADLP CC[N@@H+](Cc1nc(C(C)(C)C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061834 460358542 /nfs/dbraw/zinc/35/85/42/460358542.db2.gz WNOGAQMHSPKQBA-UHFFFAOYSA-N 2 2 330.476 3.451 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000631521383 460423650 /nfs/dbraw/zinc/42/36/50/460423650.db2.gz RWKGBFUEAUGDAV-MRXNPFEDSA-N 2 2 338.455 3.025 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000628476178 460431313 /nfs/dbraw/zinc/43/13/13/460431313.db2.gz JZUDAUUBKBEAKU-UHFFFAOYSA-N 2 2 327.472 3.245 20 0 EGADLP C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000634687524 460477594 /nfs/dbraw/zinc/47/75/94/460477594.db2.gz OHIGFTNPWREIEY-ZDUSSCGKSA-N 2 2 349.360 3.438 20 0 EGADLP C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000634687523 460478240 /nfs/dbraw/zinc/47/82/40/460478240.db2.gz OHIGFTNPWREIEY-CYBMUJFWSA-N 2 2 349.360 3.438 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000631665858 460499439 /nfs/dbraw/zinc/49/94/39/460499439.db2.gz YZDXGBKUFWCTGW-VDZJLULYSA-N 2 2 326.488 3.147 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1C ZINC000631665858 460499447 /nfs/dbraw/zinc/49/94/47/460499447.db2.gz YZDXGBKUFWCTGW-VDZJLULYSA-N 2 2 326.488 3.147 20 0 EGADLP CC(C)c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c(=O)c1 ZINC000634802830 460529025 /nfs/dbraw/zinc/52/90/25/460529025.db2.gz USLPQLYCHKEIAU-UHFFFAOYSA-N 2 2 344.499 3.326 20 0 EGADLP Fc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)co1 ZINC000629534403 460798664 /nfs/dbraw/zinc/79/86/64/460798664.db2.gz YJEJMDWGSVINES-KBXCAEBGSA-N 2 2 329.419 3.445 20 0 EGADLP Fc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)co1 ZINC000629534403 460798670 /nfs/dbraw/zinc/79/86/70/460798670.db2.gz YJEJMDWGSVINES-KBXCAEBGSA-N 2 2 329.419 3.445 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629565172 460811389 /nfs/dbraw/zinc/81/13/89/460811389.db2.gz VQCXMQBNZRHQQM-YPMHNXCESA-N 2 2 336.785 3.308 20 0 EGADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(-n3c[nH+]c(C)c3C)cc1)CC2 ZINC000627441482 460818835 /nfs/dbraw/zinc/81/88/35/460818835.db2.gz MIVBASIRQBUNBE-INIZCTEOSA-N 2 2 349.438 3.195 20 0 EGADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701903 460876312 /nfs/dbraw/zinc/87/63/12/460876312.db2.gz GIFLBGJYLWXOKL-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701903 460876319 /nfs/dbraw/zinc/87/63/19/460876319.db2.gz GIFLBGJYLWXOKL-HRAATJIYSA-N 2 2 349.478 3.098 20 0 EGADLP C[NH+](C)CCc1ccc(-c2cnn(Cc3[nH+]ccn3C(F)F)c2)cc1 ZINC000629731426 460893461 /nfs/dbraw/zinc/89/34/61/460893461.db2.gz JVWQAHJMWMRASG-UHFFFAOYSA-N 2 2 345.397 3.294 20 0 EGADLP COCCCCNc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c[nH+]1 ZINC000629742740 460901271 /nfs/dbraw/zinc/90/12/71/460901271.db2.gz VYTCQXUHLSZYPX-UHFFFAOYSA-N 2 2 336.439 3.254 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)ccc1Cl ZINC000635892958 460966772 /nfs/dbraw/zinc/96/67/72/460966772.db2.gz GKHMONQPDDTESE-KRWDZBQOSA-N 2 2 335.879 3.357 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)ccc1Cl ZINC000635892958 460966777 /nfs/dbraw/zinc/96/67/77/460966777.db2.gz GKHMONQPDDTESE-KRWDZBQOSA-N 2 2 335.879 3.357 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)C1CCC1 ZINC000629950837 460970954 /nfs/dbraw/zinc/97/09/54/460970954.db2.gz CUARYTCANJHENZ-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)C1CCC1 ZINC000629950837 460970960 /nfs/dbraw/zinc/97/09/60/460970960.db2.gz CUARYTCANJHENZ-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@@H+]1C ZINC000608061496 460974994 /nfs/dbraw/zinc/97/49/94/460974994.db2.gz FTMXHJNWLPYDEL-WMLDXEAASA-N 2 2 332.879 3.157 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[N@H+]1C ZINC000608061496 460974997 /nfs/dbraw/zinc/97/49/97/460974997.db2.gz FTMXHJNWLPYDEL-WMLDXEAASA-N 2 2 332.879 3.157 20 0 EGADLP CN(CC[N@H+](C)Cc1csc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000628277641 461068860 /nfs/dbraw/zinc/06/88/60/461068860.db2.gz AYWAHLKOKQDPFC-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@@H+](C)Cc1csc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000628277641 461068866 /nfs/dbraw/zinc/06/88/66/461068866.db2.gz AYWAHLKOKQDPFC-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(C(F)(F)F)c1 ZINC000628277641 461068869 /nfs/dbraw/zinc/06/88/69/461068869.db2.gz AYWAHLKOKQDPFC-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(C(F)(F)F)c1 ZINC000628277641 461068875 /nfs/dbraw/zinc/06/88/75/461068875.db2.gz AYWAHLKOKQDPFC-UHFFFAOYSA-N 2 2 349.466 3.225 20 0 EGADLP COc1cc(Cl)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000637929830 461135712 /nfs/dbraw/zinc/13/57/12/461135712.db2.gz GVNYYVTYEMWFGC-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP COc1cc(Cl)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000637929830 461135718 /nfs/dbraw/zinc/13/57/18/461135718.db2.gz GVNYYVTYEMWFGC-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000637929830 461135723 /nfs/dbraw/zinc/13/57/23/461135723.db2.gz GVNYYVTYEMWFGC-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000637929830 461135726 /nfs/dbraw/zinc/13/57/26/461135726.db2.gz GVNYYVTYEMWFGC-CYBMUJFWSA-N 2 2 326.868 3.131 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000652341200 461140334 /nfs/dbraw/zinc/14/03/34/461140334.db2.gz PWJKSJCDVQOPMY-JXXFODFXSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1cn2ccc(NC(=O)NCC[C@H](C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000668160129 461145244 /nfs/dbraw/zinc/14/52/44/461145244.db2.gz TYAUSPCEKWSVGY-HNNXBMFYSA-N 2 2 329.448 3.029 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cncc(Br)c1C ZINC000668166081 461151581 /nfs/dbraw/zinc/15/15/81/461151581.db2.gz OYSCWXYXILVNGY-UHFFFAOYSA-N 2 2 340.309 3.460 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cncc(Br)c1C ZINC000668166081 461151583 /nfs/dbraw/zinc/15/15/83/461151583.db2.gz OYSCWXYXILVNGY-UHFFFAOYSA-N 2 2 340.309 3.460 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2noc(-c3c(F)cccc3Cl)n2)CC1 ZINC000652359920 461154465 /nfs/dbraw/zinc/15/44/65/461154465.db2.gz JHTFPVMWMHEIAH-UHFFFAOYSA-N 2 2 338.814 3.090 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000637982971 461171160 /nfs/dbraw/zinc/17/11/60/461171160.db2.gz JNJSIXARQDULBB-KRWDZBQOSA-N 2 2 327.428 3.225 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000649575651 461189083 /nfs/dbraw/zinc/18/90/83/461189083.db2.gz XDCRDWKBMSSGKB-DNVCBOLYSA-N 2 2 338.455 3.079 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000649575651 461189093 /nfs/dbraw/zinc/18/90/93/461189093.db2.gz XDCRDWKBMSSGKB-DNVCBOLYSA-N 2 2 338.455 3.079 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)ccn12 ZINC000662410463 461234058 /nfs/dbraw/zinc/23/40/58/461234058.db2.gz KCSAEODFEVVBLM-SFHVURJKSA-N 2 2 336.439 3.196 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108899 461242656 /nfs/dbraw/zinc/24/26/56/461242656.db2.gz BUFMQGFGPRBWHF-HKUYNNGSSA-N 2 2 334.504 3.143 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108899 461242667 /nfs/dbraw/zinc/24/26/67/461242667.db2.gz BUFMQGFGPRBWHF-HKUYNNGSSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108899 461242677 /nfs/dbraw/zinc/24/26/77/461242677.db2.gz BUFMQGFGPRBWHF-HKUYNNGSSA-N 2 2 334.504 3.143 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCCCCO)C[C@@H]1C ZINC000638108899 461242686 /nfs/dbraw/zinc/24/26/86/461242686.db2.gz BUFMQGFGPRBWHF-HKUYNNGSSA-N 2 2 334.504 3.143 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109162 461244951 /nfs/dbraw/zinc/24/49/51/461244951.db2.gz CUABIWUIYCALND-JSGCOSHPSA-N 2 2 326.868 3.359 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109162 461244957 /nfs/dbraw/zinc/24/49/57/461244957.db2.gz CUABIWUIYCALND-JSGCOSHPSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109162 461244959 /nfs/dbraw/zinc/24/49/59/461244959.db2.gz CUABIWUIYCALND-JSGCOSHPSA-N 2 2 326.868 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)cc2Cl)C[C@@H]1C ZINC000638109162 461244965 /nfs/dbraw/zinc/24/49/65/461244965.db2.gz CUABIWUIYCALND-JSGCOSHPSA-N 2 2 326.868 3.359 20 0 EGADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000662450192 461247376 /nfs/dbraw/zinc/24/73/76/461247376.db2.gz KDPIDPAPFLAGQA-SFHVURJKSA-N 2 2 346.519 3.089 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144425 461270993 /nfs/dbraw/zinc/27/09/93/461270993.db2.gz CKNOXFXKFKAUPU-SJLPKXTDSA-N 2 2 341.455 3.361 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)CC2 ZINC000638144425 461270996 /nfs/dbraw/zinc/27/09/96/461270996.db2.gz CKNOXFXKFKAUPU-SJLPKXTDSA-N 2 2 341.455 3.361 20 0 EGADLP CC1CC[NH+](CCCCNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630747544 461286020 /nfs/dbraw/zinc/28/60/20/461286020.db2.gz AKZNULQRFZLHQA-UHFFFAOYSA-N 2 2 340.471 3.319 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173340 461286649 /nfs/dbraw/zinc/28/66/49/461286649.db2.gz WGIZKNQLSIWGCV-WFASDCNBSA-N 2 2 335.835 3.334 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1O ZINC000638173340 461286651 /nfs/dbraw/zinc/28/66/51/461286651.db2.gz WGIZKNQLSIWGCV-WFASDCNBSA-N 2 2 335.835 3.334 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000646526018 461316398 /nfs/dbraw/zinc/31/63/98/461316398.db2.gz FTGOIYNJNSGPGP-SFHVURJKSA-N 2 2 342.487 3.164 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630794037 461321060 /nfs/dbraw/zinc/32/10/60/461321060.db2.gz HDWQRXLCVGJPKA-HNNXBMFYSA-N 2 2 328.460 3.317 20 0 EGADLP CSc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000641714723 461333950 /nfs/dbraw/zinc/33/39/50/461333950.db2.gz BWUXZYABYBFPIJ-GOSISDBHSA-N 2 2 345.512 3.080 20 0 EGADLP COc1ccc([C@H](C[NH2+]Cc2ccc(CO)cc2)[NH+]2CCCC2)cc1 ZINC000638281139 461346199 /nfs/dbraw/zinc/34/61/99/461346199.db2.gz JJJHNRVJWBJNBD-NRFANRHFSA-N 2 2 340.467 3.114 20 0 EGADLP Clc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000655684868 461361384 /nfs/dbraw/zinc/36/13/84/461361384.db2.gz ZSPDPCKWEGAGJV-OAHLLOKOSA-N 2 2 329.271 3.336 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000655698909 461370291 /nfs/dbraw/zinc/37/02/91/461370291.db2.gz YRJOHYRJKFRAEW-CZUORRHYSA-N 2 2 340.414 3.192 20 0 EGADLP Clc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655701356 461372785 /nfs/dbraw/zinc/37/27/85/461372785.db2.gz SKUZJZARJYUNLV-PBHICJAKSA-N 2 2 336.863 3.007 20 0 EGADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000641803756 461381318 /nfs/dbraw/zinc/38/13/18/461381318.db2.gz HCODNLRFJSIHJT-CABCVRRESA-N 2 2 335.448 3.077 20 0 EGADLP CCn1ncnc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000638374138 461394121 /nfs/dbraw/zinc/39/41/21/461394121.db2.gz NKVJQWWVJZVODS-IRXDYDNUSA-N 2 2 341.503 3.066 20 0 EGADLP Cc1cc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)ccc1F ZINC000655736627 461403972 /nfs/dbraw/zinc/40/39/72/461403972.db2.gz IETAUBIWBLTAOG-ICSRJNTNSA-N 2 2 332.463 3.428 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426538 461423578 /nfs/dbraw/zinc/42/35/78/461423578.db2.gz UQHYIEKJPOKILV-VDZJLULYSA-N 2 2 343.515 3.247 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(=O)NC(C)(C)C ZINC000638426538 461423583 /nfs/dbraw/zinc/42/35/83/461423583.db2.gz UQHYIEKJPOKILV-VDZJLULYSA-N 2 2 343.515 3.247 20 0 EGADLP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655758254 461424492 /nfs/dbraw/zinc/42/44/92/461424492.db2.gz UVNOWLYZGACJGB-CEWLAPEOSA-N 2 2 328.500 3.241 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000655762254 461429685 /nfs/dbraw/zinc/42/96/85/461429685.db2.gz VCVJPGFRPRGCQD-OAHLLOKOSA-N 2 2 341.846 3.135 20 0 EGADLP Fc1cccc(Cl)c1[C@@H]1C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655776698 461439699 /nfs/dbraw/zinc/43/96/99/461439699.db2.gz LTQYHEBQFASROW-CKEIUWERSA-N 2 2 338.854 3.178 20 0 EGADLP CC1CC[NH+](CCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631035540 461487796 /nfs/dbraw/zinc/48/77/96/461487796.db2.gz LADMNXZKQJAAII-UHFFFAOYSA-N 2 2 326.282 3.056 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000655840085 461488820 /nfs/dbraw/zinc/48/88/20/461488820.db2.gz HMWQSQZSDZNSDL-NHRGSCSFSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000655840085 461488828 /nfs/dbraw/zinc/48/88/28/461488828.db2.gz HMWQSQZSDZNSDL-NHRGSCSFSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848632 461496639 /nfs/dbraw/zinc/49/66/39/461496639.db2.gz JDMOQZGGINDXDJ-YYWHXJBOSA-N 3 2 345.531 3.295 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(OCC[NH+](C)C)cc1 ZINC000655848632 461496648 /nfs/dbraw/zinc/49/66/48/461496648.db2.gz JDMOQZGGINDXDJ-YYWHXJBOSA-N 3 2 345.531 3.295 20 0 EGADLP COc1ncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)s1 ZINC000638610050 461504758 /nfs/dbraw/zinc/50/47/58/461504758.db2.gz ADZFGTBYTQPWSW-CQSZACIVSA-N 2 2 331.485 3.467 20 0 EGADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653111636 461506184 /nfs/dbraw/zinc/50/61/84/461506184.db2.gz VOSSGKOSKXKJFA-MRXNPFEDSA-N 2 2 338.455 3.215 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cnc21 ZINC000655858299 461507343 /nfs/dbraw/zinc/50/73/43/461507343.db2.gz XNNIROZYZQZRIT-QZTJIDSGSA-N 2 2 327.476 3.119 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cnc21 ZINC000655858299 461507346 /nfs/dbraw/zinc/50/73/46/461507346.db2.gz XNNIROZYZQZRIT-QZTJIDSGSA-N 2 2 327.476 3.119 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)c(F)cc1Br ZINC000631055491 461508454 /nfs/dbraw/zinc/50/84/54/461508454.db2.gz AEQIKMRQRRQPNR-JTQLQIEISA-N 2 2 333.245 3.027 20 0 EGADLP CO[C@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[C@H]1CCOC1 ZINC000638642201 461515673 /nfs/dbraw/zinc/51/56/73/461515673.db2.gz VSEDVIQGSPRUGT-YSIASYRMSA-N 2 2 346.515 3.291 20 0 EGADLP COc1cc(F)cc(OC)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000631062482 461515774 /nfs/dbraw/zinc/51/57/74/461515774.db2.gz WQEMOGSIVTZHLF-UHFFFAOYSA-N 2 2 333.407 3.220 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000631076198 461525300 /nfs/dbraw/zinc/52/53/00/461525300.db2.gz KNTQWNXMJAFVAQ-UHFFFAOYSA-N 2 2 336.439 3.254 20 0 EGADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992472 461535307 /nfs/dbraw/zinc/53/53/07/461535307.db2.gz ITZBAVWYUICKJR-NVXWUHKLSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992472 461535315 /nfs/dbraw/zinc/53/53/15/461535315.db2.gz ITZBAVWYUICKJR-NVXWUHKLSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992472 461535320 /nfs/dbraw/zinc/53/53/20/461535320.db2.gz ITZBAVWYUICKJR-NVXWUHKLSA-N 2 2 329.444 3.168 20 0 EGADLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000659992472 461535325 /nfs/dbraw/zinc/53/53/25/461535325.db2.gz ITZBAVWYUICKJR-NVXWUHKLSA-N 2 2 329.444 3.168 20 0 EGADLP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659998605 461537489 /nfs/dbraw/zinc/53/74/89/461537489.db2.gz IXRQUURRNRKAAU-INIZCTEOSA-N 2 2 342.468 3.092 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4ccccn34)ccc2n1[C@H](C)CO ZINC000642807940 461573259 /nfs/dbraw/zinc/57/32/59/461573259.db2.gz JMAFBYHQTYCAQY-CYBMUJFWSA-N 2 2 335.411 3.158 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346181 461576321 /nfs/dbraw/zinc/57/63/21/461576321.db2.gz QBUMMSBNAVCWDH-OAHLLOKOSA-N 2 2 346.906 3.438 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346181 461576328 /nfs/dbraw/zinc/57/63/28/461576328.db2.gz QBUMMSBNAVCWDH-OAHLLOKOSA-N 2 2 346.906 3.438 20 0 EGADLP C[C@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H]1CC[NH3+] ZINC000653239969 461584674 /nfs/dbraw/zinc/58/46/74/461584674.db2.gz HXTKPJLNVUVYHK-KXBFYZLASA-N 2 2 339.439 3.463 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCS[C@H]3C)c[nH+]c12 ZINC000647258388 461594656 /nfs/dbraw/zinc/59/46/56/461594656.db2.gz BSLWJBWIRAGUKY-GXFFZTMASA-N 2 2 340.290 3.389 20 0 EGADLP COCCOc1ccccc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262525 461597364 /nfs/dbraw/zinc/59/73/64/461597364.db2.gz BPTWJROHGNBXJM-UHFFFAOYSA-N 2 2 339.439 3.000 20 0 EGADLP COc1ccc2c(c1)C[C@@H]([NH2+]CCc1cn3c(cccc3C)[nH+]1)CC2 ZINC000647263073 461599026 /nfs/dbraw/zinc/59/90/26/461599026.db2.gz DPLFLPNKSTZBQM-SFHVURJKSA-N 2 2 335.451 3.341 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069076 461603364 /nfs/dbraw/zinc/60/33/64/461603364.db2.gz OAXFQXSEVJPCOX-NHYWBVRUSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000643069076 461603367 /nfs/dbraw/zinc/60/33/67/461603367.db2.gz OAXFQXSEVJPCOX-NHYWBVRUSA-N 2 2 342.270 3.006 20 0 EGADLP C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660158991 461612007 /nfs/dbraw/zinc/61/20/07/461612007.db2.gz YQOXBQOLZQQUJY-UZKOGDIHSA-N 2 2 341.543 3.064 20 0 EGADLP C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660158991 461612012 /nfs/dbraw/zinc/61/20/12/461612012.db2.gz YQOXBQOLZQQUJY-UZKOGDIHSA-N 2 2 341.543 3.064 20 0 EGADLP CCCOc1cccc2c(NCCN3CC[NH+](CC)CC3)cc[nH+]c12 ZINC000663396720 461618232 /nfs/dbraw/zinc/61/82/32/461618232.db2.gz JBTPXYUHTDDFKD-UHFFFAOYSA-N 2 2 342.487 3.073 20 0 EGADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000653377631 461646579 /nfs/dbraw/zinc/64/65/79/461646579.db2.gz SQKZOGBQDOCNIR-GOSISDBHSA-N 2 2 349.438 3.163 20 0 EGADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cn2cc[nH+]c12 ZINC000653377631 461646585 /nfs/dbraw/zinc/64/65/85/461646585.db2.gz SQKZOGBQDOCNIR-GOSISDBHSA-N 2 2 349.438 3.163 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)cn21 ZINC000647363540 461658418 /nfs/dbraw/zinc/65/84/18/461658418.db2.gz CNRCCENIUYKZGR-DLBZAZTESA-N 2 2 337.471 3.235 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000656230696 461660087 /nfs/dbraw/zinc/66/00/87/461660087.db2.gz NJDGZMJBAIRYSO-GOSISDBHSA-N 2 2 325.456 3.234 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000663509420 461679934 /nfs/dbraw/zinc/67/99/34/461679934.db2.gz KCTDADRDRDCDTJ-ZDUSSCGKSA-N 2 2 331.847 3.290 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000663515065 461682186 /nfs/dbraw/zinc/68/21/86/461682186.db2.gz ZGOSBXXCBKNKMP-QMMMGPOBSA-N 2 2 341.171 3.045 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000656262166 461686510 /nfs/dbraw/zinc/68/65/10/461686510.db2.gz PLCAGMWQVZMQED-KSSFIOAISA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262166 461686516 /nfs/dbraw/zinc/68/65/16/461686516.db2.gz PLCAGMWQVZMQED-KSSFIOAISA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262166 461686522 /nfs/dbraw/zinc/68/65/22/461686522.db2.gz PLCAGMWQVZMQED-KSSFIOAISA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000656262166 461686526 /nfs/dbraw/zinc/68/65/26/461686526.db2.gz PLCAGMWQVZMQED-KSSFIOAISA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000656262163 461686700 /nfs/dbraw/zinc/68/67/00/461686700.db2.gz PLCAGMWQVZMQED-KDOFPFPSSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000656262163 461686705 /nfs/dbraw/zinc/68/67/05/461686705.db2.gz PLCAGMWQVZMQED-KDOFPFPSSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262163 461686710 /nfs/dbraw/zinc/68/67/10/461686710.db2.gz PLCAGMWQVZMQED-KDOFPFPSSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000656262163 461686713 /nfs/dbraw/zinc/68/67/13/461686713.db2.gz PLCAGMWQVZMQED-KDOFPFPSSA-N 2 2 330.451 3.092 20 0 EGADLP COc1ccc2c(c1)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000656275608 461699192 /nfs/dbraw/zinc/69/91/92/461699192.db2.gz PVFZGKPHSBOBKD-UHFFFAOYSA-N 2 2 326.440 3.151 20 0 EGADLP COc1ccc2c(c1)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000656275608 461699196 /nfs/dbraw/zinc/69/91/96/461699196.db2.gz PVFZGKPHSBOBKD-UHFFFAOYSA-N 2 2 326.440 3.151 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000643466038 461736380 /nfs/dbraw/zinc/73/63/80/461736380.db2.gz REFOSHXYHFAYHZ-MRVPVSSYSA-N 2 2 327.325 3.256 20 0 EGADLP Cc1cc(CO)cc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000663667589 461744630 /nfs/dbraw/zinc/74/46/30/461744630.db2.gz GQOOJYFYLLSSLR-OAHLLOKOSA-N 2 2 345.874 3.419 20 0 EGADLP COCCC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000643506602 461748834 /nfs/dbraw/zinc/74/88/34/461748834.db2.gz CYSOSDHOSCZXAP-INIZCTEOSA-N 2 2 341.293 3.258 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCS2 ZINC000643506243 461749145 /nfs/dbraw/zinc/74/91/45/461749145.db2.gz PMTBQZAOMAMDIC-CYBMUJFWSA-N 2 2 327.291 3.328 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000643531625 461755020 /nfs/dbraw/zinc/75/50/20/461755020.db2.gz XFHSVNBQTWQJCH-VBKZILBWSA-N 2 2 335.451 3.109 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(F)cc(Br)c1 ZINC000643537485 461756330 /nfs/dbraw/zinc/75/63/30/461756330.db2.gz JXYGUGQSSZFYRH-IHRRRGAJSA-N 2 2 333.220 3.329 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000643544662 461758891 /nfs/dbraw/zinc/75/88/91/461758891.db2.gz SGHIOPAGWXKJJG-OAHLLOKOSA-N 3 2 344.528 3.096 20 0 EGADLP Brc1cccc(-c2c[nH]c(C[NH2+][C@H]3CCC[NH2+]CC3)n2)c1 ZINC000666856671 461838952 /nfs/dbraw/zinc/83/89/52/461838952.db2.gz YEJWFSISESPSBG-AWEZNQCLSA-N 2 2 349.276 3.071 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cn21 ZINC000647803930 461844788 /nfs/dbraw/zinc/84/47/88/461844788.db2.gz DRFILFPCULRVTF-GBESFXJTSA-N 3 2 326.488 3.086 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695374 461845812 /nfs/dbraw/zinc/84/58/12/461845812.db2.gz HTOJLGLNHMBMSE-HIFRSBDPSA-N 2 2 330.419 3.030 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695374 461845818 /nfs/dbraw/zinc/84/58/18/461845818.db2.gz HTOJLGLNHMBMSE-HIFRSBDPSA-N 2 2 330.419 3.030 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814546 461848421 /nfs/dbraw/zinc/84/84/21/461848421.db2.gz SQRCAFPNDFPXBL-UHFFFAOYSA-N 2 2 329.488 3.273 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814546 461848428 /nfs/dbraw/zinc/84/84/28/461848428.db2.gz SQRCAFPNDFPXBL-UHFFFAOYSA-N 2 2 329.488 3.273 20 0 EGADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000653778196 461853248 /nfs/dbraw/zinc/85/32/48/461853248.db2.gz LCTYZINGRCZJKC-OTWHNJEPSA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000653778196 461853253 /nfs/dbraw/zinc/85/32/53/461853253.db2.gz LCTYZINGRCZJKC-OTWHNJEPSA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653778196 461853256 /nfs/dbraw/zinc/85/32/56/461853256.db2.gz LCTYZINGRCZJKC-OTWHNJEPSA-N 2 2 340.515 3.336 20 0 EGADLP C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000653778196 461853262 /nfs/dbraw/zinc/85/32/62/461853262.db2.gz LCTYZINGRCZJKC-OTWHNJEPSA-N 2 2 340.515 3.336 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCC[NH3+])c1 ZINC000647850109 461856943 /nfs/dbraw/zinc/85/69/43/461856943.db2.gz DWYKAJYKLONXKU-LJQANCHMSA-N 2 2 325.456 3.264 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCC[NH3+])c1 ZINC000647850109 461856947 /nfs/dbraw/zinc/85/69/47/461856947.db2.gz DWYKAJYKLONXKU-LJQANCHMSA-N 2 2 325.456 3.264 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000647925670 461888696 /nfs/dbraw/zinc/88/86/96/461888696.db2.gz SFEQXXCZJOOUDA-FQEVSTJZSA-N 2 2 343.515 3.237 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)C1 ZINC000660631394 461891264 /nfs/dbraw/zinc/89/12/64/461891264.db2.gz WAVDXOYVONSSHE-ROUUACIJSA-N 2 2 348.506 3.485 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000639375670 461893743 /nfs/dbraw/zinc/89/37/43/461893743.db2.gz ZIGJMQIXFGQBHU-UHFFFAOYSA-N 2 2 338.499 3.382 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709602 461903648 /nfs/dbraw/zinc/90/36/48/461903648.db2.gz HPXGEYCHSNDSFQ-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709602 461903652 /nfs/dbraw/zinc/90/36/52/461903652.db2.gz HPXGEYCHSNDSFQ-BBRMVZONSA-N 2 2 339.277 3.019 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652473 461904272 /nfs/dbraw/zinc/90/42/72/461904272.db2.gz JQHDZAUZGPVNRO-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652473 461904280 /nfs/dbraw/zinc/90/42/80/461904280.db2.gz JQHDZAUZGPVNRO-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652473 461904288 /nfs/dbraw/zinc/90/42/88/461904288.db2.gz JQHDZAUZGPVNRO-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000660652473 461904296 /nfs/dbraw/zinc/90/42/96/461904296.db2.gz JQHDZAUZGPVNRO-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(O)c2Br)[C@@H]1CC[NH3+] ZINC000650711937 461905447 /nfs/dbraw/zinc/90/54/47/461905447.db2.gz JTLWWSUMQXMWPW-DGCLKSJQSA-N 2 2 327.266 3.104 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Br)[C@@H]1CC[NH3+] ZINC000650711937 461905452 /nfs/dbraw/zinc/90/54/52/461905452.db2.gz JTLWWSUMQXMWPW-DGCLKSJQSA-N 2 2 327.266 3.104 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CNc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000650748413 461930576 /nfs/dbraw/zinc/93/05/76/461930576.db2.gz UCXIQPAZSDARDD-QMMLZNLJSA-N 2 2 337.467 3.115 20 0 EGADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(=O)NCc1cccs1 ZINC000648062190 461964595 /nfs/dbraw/zinc/96/45/95/461964595.db2.gz FSGUZUTYLXITLO-KRWDZBQOSA-N 2 2 331.485 3.069 20 0 EGADLP O[C@H](CCc1ccccc1)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000644523398 461969820 /nfs/dbraw/zinc/96/98/20/461969820.db2.gz ZROYYIHQCNTDMY-OAQYLSRUSA-N 2 2 335.451 3.015 20 0 EGADLP c1ccc2[nH+]c(CC3CC[NH+](CCO[C@@H]4CCCCO4)CC3)[nH]c2c1 ZINC000660857091 461996648 /nfs/dbraw/zinc/99/66/48/461996648.db2.gz FMFNOZWNGJDSIW-HXUWFJFHSA-N 2 2 343.471 3.361 20 0 EGADLP COc1ccncc1C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857839 461998911 /nfs/dbraw/zinc/99/89/11/461998911.db2.gz WYFWTZSJWLUDCC-UHFFFAOYSA-N 2 2 336.439 3.421 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)co2)c1 ZINC000639613299 462018293 /nfs/dbraw/zinc/01/82/93/462018293.db2.gz SFGSSNGGIYABMS-KRWDZBQOSA-N 2 2 329.444 3.266 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)co2)c1 ZINC000639613299 462018298 /nfs/dbraw/zinc/01/82/98/462018298.db2.gz SFGSSNGGIYABMS-KRWDZBQOSA-N 2 2 329.444 3.266 20 0 EGADLP Cc1cc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000664364914 462034214 /nfs/dbraw/zinc/03/42/14/462034214.db2.gz UZMUVYCUANYEPD-IBGZPJMESA-N 2 2 336.483 3.416 20 0 EGADLP Cc1cc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000664364914 462034217 /nfs/dbraw/zinc/03/42/17/462034217.db2.gz UZMUVYCUANYEPD-IBGZPJMESA-N 2 2 336.483 3.416 20 0 EGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1[nH+]ccn1C(C)C ZINC000657318676 462042203 /nfs/dbraw/zinc/04/22/03/462042203.db2.gz UAKGOFJQTSSVBK-UHFFFAOYSA-N 2 2 327.476 3.136 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000657334477 462052474 /nfs/dbraw/zinc/05/24/74/462052474.db2.gz BMDHKHLQZRUJTO-LJQANCHMSA-N 2 2 326.488 3.466 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000657334477 462052480 /nfs/dbraw/zinc/05/24/80/462052480.db2.gz BMDHKHLQZRUJTO-LJQANCHMSA-N 2 2 326.488 3.466 20 0 EGADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2c2ccc(N(C)C)nn2)c(C)[nH+]1 ZINC000639678778 462054017 /nfs/dbraw/zinc/05/40/17/462054017.db2.gz NEJIOSALUIKOPM-GOSISDBHSA-N 2 2 325.460 3.200 20 0 EGADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc(N(C)C)nn2)c(C)[nH+]1 ZINC000639678778 462054019 /nfs/dbraw/zinc/05/40/19/462054019.db2.gz NEJIOSALUIKOPM-GOSISDBHSA-N 2 2 325.460 3.200 20 0 EGADLP c1ccc(NCCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)[nH+]c1 ZINC000657344922 462061335 /nfs/dbraw/zinc/06/13/35/462061335.db2.gz HYLWSMKQNCFEIZ-IBGZPJMESA-N 2 2 341.455 3.231 20 0 EGADLP CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000639699934 462066084 /nfs/dbraw/zinc/06/60/84/462066084.db2.gz OVGBAFXGWFTNSW-UHFFFAOYSA-N 2 2 329.448 3.064 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccc(F)cc2)n1 ZINC000648366937 462081933 /nfs/dbraw/zinc/08/19/33/462081933.db2.gz SOLVWZPHFFZZKX-GOSISDBHSA-N 2 2 339.418 3.260 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccc(F)cc2)n1 ZINC000648366937 462081941 /nfs/dbraw/zinc/08/19/41/462081941.db2.gz SOLVWZPHFFZZKX-GOSISDBHSA-N 2 2 339.418 3.260 20 0 EGADLP Fc1ccc(OC(F)F)c(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000657390812 462092583 /nfs/dbraw/zinc/09/25/83/462092583.db2.gz IAXCNDQKQYJCAS-UHFFFAOYSA-N 2 2 325.334 3.414 20 0 EGADLP CCCn1nccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000657412142 462105893 /nfs/dbraw/zinc/10/58/93/462105893.db2.gz BVTVVNLOVXIHFC-MRXNPFEDSA-N 2 2 327.476 3.003 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000644901111 462124742 /nfs/dbraw/zinc/12/47/42/462124742.db2.gz JBOGKKZOFFFKAQ-PKOBYXMFSA-N 2 2 342.487 3.086 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000644901111 462124750 /nfs/dbraw/zinc/12/47/50/462124750.db2.gz JBOGKKZOFFFKAQ-PKOBYXMFSA-N 2 2 342.487 3.086 20 0 EGADLP Cc1ccccc1C[N@H+]1CCCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000644900531 462124800 /nfs/dbraw/zinc/12/48/00/462124800.db2.gz KCTZTHAGTPAYJZ-UHFFFAOYSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000644900531 462124804 /nfs/dbraw/zinc/12/48/04/462124804.db2.gz KCTZTHAGTPAYJZ-UHFFFAOYSA-N 2 2 326.488 3.480 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)CCCO1 ZINC000657448132 462130704 /nfs/dbraw/zinc/13/07/04/462130704.db2.gz HJZUYRUEHYURNE-ZDUSSCGKSA-N 2 2 346.393 3.018 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)CCCO1 ZINC000657448132 462130709 /nfs/dbraw/zinc/13/07/09/462130709.db2.gz HJZUYRUEHYURNE-ZDUSSCGKSA-N 2 2 346.393 3.018 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657462607 462139218 /nfs/dbraw/zinc/13/92/18/462139218.db2.gz WCDMSYJBSVLRCV-IBGZPJMESA-N 2 2 338.499 3.220 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657462607 462139222 /nfs/dbraw/zinc/13/92/22/462139222.db2.gz WCDMSYJBSVLRCV-IBGZPJMESA-N 2 2 338.499 3.220 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561109 462144504 /nfs/dbraw/zinc/14/45/04/462144504.db2.gz LJGHWMKXBHGCDC-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561109 462144509 /nfs/dbraw/zinc/14/45/09/462144509.db2.gz LJGHWMKXBHGCDC-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561109 462144515 /nfs/dbraw/zinc/14/45/15/462144515.db2.gz LJGHWMKXBHGCDC-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000667561109 462144517 /nfs/dbraw/zinc/14/45/17/462144517.db2.gz LJGHWMKXBHGCDC-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP OCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C(F)(F)F)c1 ZINC000657478621 462147998 /nfs/dbraw/zinc/14/79/98/462147998.db2.gz MXKUQINSINNSAS-OAHLLOKOSA-N 2 2 339.361 3.061 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000654312125 462156088 /nfs/dbraw/zinc/15/60/88/462156088.db2.gz NBOZZCYACNXWFG-KSZLIROESA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000654312125 462156091 /nfs/dbraw/zinc/15/60/91/462156091.db2.gz NBOZZCYACNXWFG-KSZLIROESA-N 2 2 349.906 3.076 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982815 462203805 /nfs/dbraw/zinc/20/38/05/462203805.db2.gz ISTFMISNTMZHJC-QZTJIDSGSA-N 2 2 335.536 3.116 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657794982 462268739 /nfs/dbraw/zinc/26/87/39/462268739.db2.gz AHXNJKOMAMRBDD-YOEHRIQHSA-N 2 2 344.421 3.157 20 0 EGADLP CC[NH+](CC)Cc1ccc(-c2nc(Cc3c[nH+]ccc3C)no2)o1 ZINC000664981671 462270562 /nfs/dbraw/zinc/27/05/62/462270562.db2.gz NOEKLXUTVGZBKQ-UHFFFAOYSA-N 2 2 326.400 3.466 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000651647467 462289591 /nfs/dbraw/zinc/28/95/91/462289591.db2.gz RDDLJXMTTNICCH-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000651647467 462289597 /nfs/dbraw/zinc/28/95/97/462289597.db2.gz RDDLJXMTTNICCH-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000651647467 462289603 /nfs/dbraw/zinc/28/96/03/462289603.db2.gz RDDLJXMTTNICCH-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP COc1cc(OC)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000651647467 462289610 /nfs/dbraw/zinc/28/96/10/462289610.db2.gz RDDLJXMTTNICCH-OAHLLOKOSA-N 2 2 336.451 3.007 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667851143 462292616 /nfs/dbraw/zinc/29/26/16/462292616.db2.gz HFRYRSZXSPAVLP-KRWDZBQOSA-N 2 2 339.443 3.265 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000651670495 462297159 /nfs/dbraw/zinc/29/71/59/462297159.db2.gz LFHWVQLBGQUIJY-UHFFFAOYSA-N 2 2 326.488 3.452 20 0 EGADLP c1nnn(-c2ccccc2)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000645468319 462337814 /nfs/dbraw/zinc/33/78/14/462337814.db2.gz SATMDGXJWPAJIL-UHFFFAOYSA-N 2 2 339.487 3.154 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000665250288 462369070 /nfs/dbraw/zinc/36/90/70/462369070.db2.gz NCUKWQSMZGIBDR-IWMITWMQSA-N 2 2 337.467 3.441 20 0 EGADLP Fc1cccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000665254370 462369999 /nfs/dbraw/zinc/36/99/99/462369999.db2.gz OUJKMLWQEYVEAM-FHWLQOOXSA-N 2 2 325.431 3.333 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](OC)C2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665275720 462380610 /nfs/dbraw/zinc/38/06/10/462380610.db2.gz PVCZYVUEIAJNNT-UFYCRDLUSA-N 2 2 332.488 3.283 20 0 EGADLP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1Cl ZINC000665290640 462387476 /nfs/dbraw/zinc/38/74/76/462387476.db2.gz GBXGICKOECWPIH-ZDUSSCGKSA-N 2 2 341.242 3.189 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(COC[C@@H]2CCCO2)c1)[C@H]1CCCC[NH2+]1 ZINC000665293842 462389427 /nfs/dbraw/zinc/38/94/27/462389427.db2.gz DKVWNEASDIPTKR-FFZOFVMBSA-N 2 2 332.488 3.002 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000665296611 462390651 /nfs/dbraw/zinc/39/06/51/462390651.db2.gz VIWPSRIOEIUAFE-WFASDCNBSA-N 2 2 329.282 3.114 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138768 462447675 /nfs/dbraw/zinc/44/76/75/462447675.db2.gz PSWZWAHPMQCXRW-IERDGZPVSA-N 2 2 337.467 3.254 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccn2)cc1 ZINC000652138768 462447682 /nfs/dbraw/zinc/44/76/82/462447682.db2.gz PSWZWAHPMQCXRW-IERDGZPVSA-N 2 2 337.467 3.254 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160189 462456209 /nfs/dbraw/zinc/45/62/09/462456209.db2.gz PUHWOYMDVCVTOG-COXVUDFISA-N 2 2 348.487 3.236 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160189 462456214 /nfs/dbraw/zinc/45/62/14/462456214.db2.gz PUHWOYMDVCVTOG-COXVUDFISA-N 2 2 348.487 3.236 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287540 462457254 /nfs/dbraw/zinc/45/72/54/462457254.db2.gz IZJGFHRXGMMGOM-CRAIPNDOSA-N 2 2 332.492 3.351 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287540 462457258 /nfs/dbraw/zinc/45/72/58/462457258.db2.gz IZJGFHRXGMMGOM-CRAIPNDOSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295708 462461803 /nfs/dbraw/zinc/46/18/03/462461803.db2.gz VEKAQSYTMXWADH-LEWJYISDSA-N 2 2 346.515 3.071 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccncc2s1 ZINC000658296194 462462519 /nfs/dbraw/zinc/46/25/19/462462519.db2.gz QYQLOBJYWWAARA-XJKSGUPXSA-N 2 2 331.485 3.200 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000658353157 462486907 /nfs/dbraw/zinc/48/69/07/462486907.db2.gz KUSHCQSQQWZJLA-OXJNMPFZSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1C ZINC000658353157 462486918 /nfs/dbraw/zinc/48/69/18/462486918.db2.gz KUSHCQSQQWZJLA-OXJNMPFZSA-N 2 2 339.483 3.399 20 0 EGADLP CCc1cc(NCc2ccccc2OCC[NH+](CC)CC)nc[nH+]1 ZINC000603380994 479364970 /nfs/dbraw/zinc/36/49/70/479364970.db2.gz FFZPSPYYMUITKF-UHFFFAOYSA-N 2 2 328.460 3.372 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179478968 534043754 /nfs/dbraw/zinc/04/37/54/534043754.db2.gz XBIFYUDECXIWTL-DOMZBBRYSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cncc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000179478968 534043763 /nfs/dbraw/zinc/04/37/63/534043763.db2.gz XBIFYUDECXIWTL-DOMZBBRYSA-N 2 2 335.249 3.124 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000425111624 517638568 /nfs/dbraw/zinc/63/85/68/517638568.db2.gz YGASXJPEKTVSAU-UHFFFAOYSA-N 2 2 336.439 3.434 20 0 EGADLP Cc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](Cc3ccccn3)CC1)n2C ZINC000187576983 534455673 /nfs/dbraw/zinc/45/56/73/534455673.db2.gz OBFQOESWLKBWBX-UHFFFAOYSA-N 2 2 349.482 3.031 20 0 EGADLP CC(C)[C@H](C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000171444340 534912581 /nfs/dbraw/zinc/91/25/81/534912581.db2.gz NIYZSYYODSJLKL-GOSISDBHSA-N 2 2 326.444 3.321 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436124 527838628 /nfs/dbraw/zinc/83/86/28/527838628.db2.gz PBHYLPKAWJARMD-IBGZPJMESA-N 2 2 326.488 3.095 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436124 527838635 /nfs/dbraw/zinc/83/86/35/527838635.db2.gz PBHYLPKAWJARMD-IBGZPJMESA-N 2 2 326.488 3.095 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436124 527838638 /nfs/dbraw/zinc/83/86/38/527838638.db2.gz PBHYLPKAWJARMD-IBGZPJMESA-N 2 2 326.488 3.095 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000179436124 527838643 /nfs/dbraw/zinc/83/86/43/527838643.db2.gz PBHYLPKAWJARMD-IBGZPJMESA-N 2 2 326.488 3.095 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000159008666 528134034 /nfs/dbraw/zinc/13/40/34/528134034.db2.gz XJEPXUXMDMXBNE-OAGGEKHMSA-N 2 2 347.463 3.083 20 0 EGADLP CC(C)CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000159008666 528134038 /nfs/dbraw/zinc/13/40/38/528134038.db2.gz XJEPXUXMDMXBNE-OAGGEKHMSA-N 2 2 347.463 3.083 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)[C@H](C)C1 ZINC000178498200 528664565 /nfs/dbraw/zinc/66/45/65/528664565.db2.gz RZXDCWUZHJCWIB-RDTXWAMCSA-N 2 2 326.431 3.191 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)[C@H](C)C1 ZINC000178498200 528664572 /nfs/dbraw/zinc/66/45/72/528664572.db2.gz RZXDCWUZHJCWIB-RDTXWAMCSA-N 2 2 326.431 3.191 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)CCn1cccn1)[N@@H+]1CCc2ccccc2C1 ZINC000353354671 535021048 /nfs/dbraw/zinc/02/10/48/535021048.db2.gz PZVHEKBPJYHLQK-NQIIRXRSSA-N 2 2 340.515 3.334 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H](C)CCn1cccn1)[N@H+]1CCc2ccccc2C1 ZINC000353354671 535021053 /nfs/dbraw/zinc/02/10/53/535021053.db2.gz PZVHEKBPJYHLQK-NQIIRXRSSA-N 2 2 340.515 3.334 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)sc2C1 ZINC000346200315 535251206 /nfs/dbraw/zinc/25/12/06/535251206.db2.gz MHZRKRQQDQGFDY-UHFFFAOYSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)sc2C1 ZINC000346200315 535251210 /nfs/dbraw/zinc/25/12/10/535251210.db2.gz MHZRKRQQDQGFDY-UHFFFAOYSA-N 3 2 345.516 3.012 20 0 EGADLP CC[NH+](CC)CCCN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000338365037 535511113 /nfs/dbraw/zinc/51/11/13/535511113.db2.gz VTSRAFAYQGQPMR-UHFFFAOYSA-N 2 2 326.488 3.271 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187097066 535585422 /nfs/dbraw/zinc/58/54/22/535585422.db2.gz SEXOXUURIFWDGQ-AWEZNQCLSA-N 2 2 333.501 3.469 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187097066 535585426 /nfs/dbraw/zinc/58/54/26/535585426.db2.gz SEXOXUURIFWDGQ-AWEZNQCLSA-N 2 2 333.501 3.469 20 0 EGADLP CC[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1ccncc1 ZINC000344553478 535897411 /nfs/dbraw/zinc/89/74/11/535897411.db2.gz ORSJURXCBVNJAT-IBGZPJMESA-N 2 2 331.504 3.405 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059410 546700974 /nfs/dbraw/zinc/70/09/74/546700974.db2.gz CLMWLYRTBNEINZ-UWJYYQICSA-N 3 2 347.547 3.398 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000120624207 546716077 /nfs/dbraw/zinc/71/60/77/546716077.db2.gz CMBUSFKJQLLNJC-IBGZPJMESA-N 2 2 330.520 3.092 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000120624207 546716083 /nfs/dbraw/zinc/71/60/83/546716083.db2.gz CMBUSFKJQLLNJC-IBGZPJMESA-N 2 2 330.520 3.092 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000123133949 546738340 /nfs/dbraw/zinc/73/83/40/546738340.db2.gz KFVUCWJIVXSTAK-UTKZUKDTSA-N 3 2 329.532 3.143 20 0 EGADLP CC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000123133949 546738346 /nfs/dbraw/zinc/73/83/46/546738346.db2.gz KFVUCWJIVXSTAK-UTKZUKDTSA-N 3 2 329.532 3.143 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000162696510 546966201 /nfs/dbraw/zinc/96/62/01/546966201.db2.gz WZAWCYTYIWLWGN-QGZVFWFLSA-N 2 2 343.475 3.293 20 0 EGADLP CC[C@H]([NH2+]CC[NH+]1CCC(OC)CC1)c1ccc(OC(F)F)cc1 ZINC000163726639 546975081 /nfs/dbraw/zinc/97/50/81/546975081.db2.gz XUMPNIXPAPTNDS-KRWDZBQOSA-N 2 2 342.430 3.440 20 0 EGADLP C[C@H](Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1[nH]cc[nH+]1 ZINC000286318430 547392695 /nfs/dbraw/zinc/39/26/95/547392695.db2.gz XUARRNUPJYYGMV-HNNXBMFYSA-N 2 2 325.460 3.115 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000353514525 547695214 /nfs/dbraw/zinc/69/52/14/547695214.db2.gz HFWANWTYTOZVMA-AWEZNQCLSA-N 2 2 341.381 3.041 20 0 EGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(CC(F)(F)F)c2)C1 ZINC000353514525 547695220 /nfs/dbraw/zinc/69/52/20/547695220.db2.gz HFWANWTYTOZVMA-AWEZNQCLSA-N 2 2 341.381 3.041 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541934 547828091 /nfs/dbraw/zinc/82/80/91/547828091.db2.gz HNSORXKMEVQWCS-XUVXKRRUSA-N 2 2 346.515 3.071 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1(C)C ZINC000390541934 547828095 /nfs/dbraw/zinc/82/80/95/547828095.db2.gz HNSORXKMEVQWCS-XUVXKRRUSA-N 2 2 346.515 3.071 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000414931262 547861913 /nfs/dbraw/zinc/86/19/13/547861913.db2.gz UJGXENXUSXAOMU-HUUCEWRRSA-N 2 2 331.485 3.390 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415029349 547862482 /nfs/dbraw/zinc/86/24/82/547862482.db2.gz AURIYAWRDNEPOF-AWEZNQCLSA-N 2 2 334.261 3.227 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC(C)C)[C@@H](C)C1 ZINC000675750726 548974299 /nfs/dbraw/zinc/97/42/99/548974299.db2.gz QHEWCARJGKAKPB-HKUYNNGSSA-N 2 2 349.519 3.095 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC(C)C)[C@@H](C)C1 ZINC000675750726 548974303 /nfs/dbraw/zinc/97/43/03/548974303.db2.gz QHEWCARJGKAKPB-HKUYNNGSSA-N 2 2 349.519 3.095 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000675898003 548999670 /nfs/dbraw/zinc/99/96/70/548999670.db2.gz CFHXJSHPJQIVTF-DYESRHJHSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000675898003 548999675 /nfs/dbraw/zinc/99/96/75/548999675.db2.gz CFHXJSHPJQIVTF-DYESRHJHSA-N 2 2 342.458 3.422 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)s1 ZINC000676056429 549030191 /nfs/dbraw/zinc/03/01/91/549030191.db2.gz NMEHQPMCTYIGFI-CYBMUJFWSA-N 2 2 348.516 3.336 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000676901814 549176213 /nfs/dbraw/zinc/17/62/13/549176213.db2.gz FBJLSLNKNUQDKI-INIZCTEOSA-N 2 2 332.488 3.032 20 0 EGADLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000678126944 549402857 /nfs/dbraw/zinc/40/28/57/549402857.db2.gz BJXFHZXXSOSBRJ-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678221003 549428511 /nfs/dbraw/zinc/42/85/11/549428511.db2.gz XDGDADKYVCGJFC-GJZGRUSLSA-N 2 2 341.952 3.392 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234215 549435354 /nfs/dbraw/zinc/43/53/54/549435354.db2.gz AFKKGEFGVMIJDG-CQSZACIVSA-N 2 2 329.835 3.260 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234215 549435358 /nfs/dbraw/zinc/43/53/58/549435358.db2.gz AFKKGEFGVMIJDG-CQSZACIVSA-N 2 2 329.835 3.260 20 0 EGADLP Cc1nn2c(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)c(C(C)C)nc2s1 ZINC000678235133 549435444 /nfs/dbraw/zinc/43/54/44/549435444.db2.gz OKTDIBPUDMSBMM-AWEZNQCLSA-N 2 2 344.488 3.256 20 0 EGADLP Cc1nn2c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)c(C(C)C)nc2s1 ZINC000678235133 549435448 /nfs/dbraw/zinc/43/54/48/549435448.db2.gz OKTDIBPUDMSBMM-AWEZNQCLSA-N 2 2 344.488 3.256 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000678258995 549447937 /nfs/dbraw/zinc/44/79/37/549447937.db2.gz UTUQPHHIXWASAZ-GVTIMSHASA-N 2 2 333.907 3.065 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000678258995 549447942 /nfs/dbraw/zinc/44/79/42/549447942.db2.gz UTUQPHHIXWASAZ-GVTIMSHASA-N 2 2 333.907 3.065 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000678588439 549525312 /nfs/dbraw/zinc/52/53/12/549525312.db2.gz ZLYLXGJDBYWLBW-DLBZAZTESA-N 2 2 338.455 3.068 20 0 EGADLP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782194 549561292 /nfs/dbraw/zinc/56/12/92/549561292.db2.gz JKQJRFCJRZZMMK-CVEARBPZSA-N 2 2 330.394 3.467 20 0 EGADLP COC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782194 549561294 /nfs/dbraw/zinc/56/12/94/549561294.db2.gz JKQJRFCJRZZMMK-CVEARBPZSA-N 2 2 330.394 3.467 20 0 EGADLP C[NH+]1CCC(C)(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000679484147 549717704 /nfs/dbraw/zinc/71/77/04/549717704.db2.gz FZBHIJRNTPMXIZ-LJQANCHMSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC(C)(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000679484147 549717708 /nfs/dbraw/zinc/71/77/08/549717708.db2.gz FZBHIJRNTPMXIZ-LJQANCHMSA-N 3 2 329.532 3.361 20 0 EGADLP Cn1nc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc21 ZINC000680636828 549888366 /nfs/dbraw/zinc/88/83/66/549888366.db2.gz QFVXMAUQJRKKKM-UHFFFAOYSA-N 2 2 340.393 3.080 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000682616568 550120626 /nfs/dbraw/zinc/12/06/26/550120626.db2.gz DSCGYJAHGOKOFQ-IHPCNDPISA-N 2 2 340.515 3.270 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000682616568 550120628 /nfs/dbraw/zinc/12/06/28/550120628.db2.gz DSCGYJAHGOKOFQ-IHPCNDPISA-N 2 2 340.515 3.270 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc4cnccc4c3)[nH+]c2)C1 ZINC000683751682 550257479 /nfs/dbraw/zinc/25/74/79/550257479.db2.gz ZNZPQPHWLJCSMT-HXUWFJFHSA-N 2 2 347.466 3.382 20 0 EGADLP CO[C@H](c1ccccc1)[C@H](C)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000683819990 550265451 /nfs/dbraw/zinc/26/54/51/550265451.db2.gz OUYPUMXPEMSJAW-JXFKEZNVSA-N 2 2 340.471 3.022 20 0 EGADLP Cc1cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)sn1 ZINC000683888952 550271352 /nfs/dbraw/zinc/27/13/52/550271352.db2.gz OASVFZHDTWOVLG-INIZCTEOSA-N 2 2 345.512 3.441 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684203232 550304023 /nfs/dbraw/zinc/30/40/23/550304023.db2.gz DYXYHLZNDXCENM-RTWAWAEBSA-N 2 2 335.451 3.277 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000684203232 550304024 /nfs/dbraw/zinc/30/40/24/550304024.db2.gz DYXYHLZNDXCENM-RTWAWAEBSA-N 2 2 335.451 3.277 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000684956998 550388132 /nfs/dbraw/zinc/38/81/32/550388132.db2.gz FOHCDXJCEPRMCR-ROUUACIJSA-N 2 2 331.504 3.117 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470397 550421191 /nfs/dbraw/zinc/42/11/91/550421191.db2.gz LJCVQAGQYJHYBI-HNAYVOBHSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470397 550421193 /nfs/dbraw/zinc/42/11/93/550421193.db2.gz LJCVQAGQYJHYBI-HNAYVOBHSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470397 550421194 /nfs/dbraw/zinc/42/11/94/550421194.db2.gz LJCVQAGQYJHYBI-HNAYVOBHSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000685470397 550421195 /nfs/dbraw/zinc/42/11/95/550421195.db2.gz LJCVQAGQYJHYBI-HNAYVOBHSA-N 2 2 346.906 3.357 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470425 550421343 /nfs/dbraw/zinc/42/13/43/550421343.db2.gz QDNWFEIAIFIMOU-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470425 550421344 /nfs/dbraw/zinc/42/13/44/550421344.db2.gz QDNWFEIAIFIMOU-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470425 550421347 /nfs/dbraw/zinc/42/13/47/550421347.db2.gz QDNWFEIAIFIMOU-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000685470425 550421348 /nfs/dbraw/zinc/42/13/48/550421348.db2.gz QDNWFEIAIFIMOU-CJNGLKHVSA-N 2 2 338.879 3.273 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000727463839 574668958 /nfs/dbraw/zinc/66/89/58/574668958.db2.gz OGZQVCLCVYQEPE-INIZCTEOSA-N 2 2 339.524 3.240 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc3ccccc3c2)cn1 ZINC000727466968 574669230 /nfs/dbraw/zinc/66/92/30/574669230.db2.gz MTNBYHAZNKQRRQ-UHFFFAOYSA-N 2 2 329.407 3.414 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2C1 ZINC000728834463 574775163 /nfs/dbraw/zinc/77/51/63/574775163.db2.gz XEDKTLFZVSWXHY-UHFFFAOYSA-N 2 2 346.434 3.024 20 0 EGADLP C[N@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2C1 ZINC000728834463 574775165 /nfs/dbraw/zinc/77/51/65/574775165.db2.gz XEDKTLFZVSWXHY-UHFFFAOYSA-N 2 2 346.434 3.024 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCC[NH+](C)C)n2)C1 ZINC000729283230 574835347 /nfs/dbraw/zinc/83/53/47/574835347.db2.gz DOMIZCHTTLIICK-AWEZNQCLSA-N 2 2 338.521 3.045 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCC[NH+](C)C)n2)C1 ZINC000729283230 574835348 /nfs/dbraw/zinc/83/53/48/574835348.db2.gz DOMIZCHTTLIICK-AWEZNQCLSA-N 2 2 338.521 3.045 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1OCc1cccs1 ZINC000729682548 574878719 /nfs/dbraw/zinc/87/87/19/574878719.db2.gz UDMPCTWTAXTPRS-OAHLLOKOSA-N 2 2 332.469 3.129 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1OCc1cccs1 ZINC000729682548 574878721 /nfs/dbraw/zinc/87/87/21/574878721.db2.gz UDMPCTWTAXTPRS-OAHLLOKOSA-N 2 2 332.469 3.129 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732279456 575253951 /nfs/dbraw/zinc/25/39/51/575253951.db2.gz MFQQLEPYCQFBTI-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732279456 575253952 /nfs/dbraw/zinc/25/39/52/575253952.db2.gz MFQQLEPYCQFBTI-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000733183841 575316851 /nfs/dbraw/zinc/31/68/51/575316851.db2.gz FMBIIIOKISQCDZ-UHFFFAOYSA-N 2 2 336.443 3.237 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC000734509874 575504877 /nfs/dbraw/zinc/50/48/77/575504877.db2.gz NDDHVBMLULYJBW-DZGCQCFKSA-N 2 2 348.393 3.178 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)o1 ZINC000734509874 575504882 /nfs/dbraw/zinc/50/48/82/575504882.db2.gz NDDHVBMLULYJBW-DZGCQCFKSA-N 2 2 348.393 3.178 20 0 EGADLP CCCOc1c(Cl)cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000678343642 576167988 /nfs/dbraw/zinc/16/79/88/576167988.db2.gz XIBNSOZWWCNHEY-HUUCEWRRSA-N 2 2 338.879 3.179 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742374675 576775498 /nfs/dbraw/zinc/77/54/98/576775498.db2.gz BVVMILQKNDCOMN-UKRRQHHQSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742374675 576775499 /nfs/dbraw/zinc/77/54/99/576775499.db2.gz BVVMILQKNDCOMN-UKRRQHHQSA-N 2 2 332.879 3.406 20 0 EGADLP C[C@@H](C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+](C)C1CC1 ZINC000695190940 1298158069 /nfs/dbraw/zinc/15/80/69/1298158069.db2.gz FAFOSIRMRTZVON-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000695190940 1298158073 /nfs/dbraw/zinc/15/80/73/1298158073.db2.gz FAFOSIRMRTZVON-HNNXBMFYSA-N 2 2 339.524 3.096 20 0 EGADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1OC ZINC000030901885 1291357968 /nfs/dbraw/zinc/35/79/68/1291357968.db2.gz IHKDKXZQGIOPTF-UHFFFAOYSA-N 2 2 337.423 3.238 20 0 EGADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc(OC)c1OC ZINC000059260129 1291913990 /nfs/dbraw/zinc/91/39/90/1291913990.db2.gz PVYBQRIHCFMCOO-KRWDZBQOSA-N 2 2 347.459 3.113 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nc3ccccc3n2C)cc1F ZINC000066989609 1292138481 /nfs/dbraw/zinc/13/84/81/1292138481.db2.gz OVONVDVWWPRBTK-UHFFFAOYSA-N 2 2 349.413 3.496 20 0 EGADLP c1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000069748070 1292249224 /nfs/dbraw/zinc/24/92/24/1292249224.db2.gz HFCISNQPTWNVTR-UHFFFAOYSA-N 2 2 343.540 3.436 20 0 EGADLP COc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(OC)c1OC ZINC000079000470 1292539509 /nfs/dbraw/zinc/53/95/09/1292539509.db2.gz GAEDIWZWSLTYEJ-MRXNPFEDSA-N 2 2 347.459 3.113 20 0 EGADLP Fc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000119274154 1293263163 /nfs/dbraw/zinc/26/31/63/1293263163.db2.gz INTSKNMABFXGKR-CYBMUJFWSA-N 2 2 326.843 3.070 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000120759634 1293337607 /nfs/dbraw/zinc/33/76/07/1293337607.db2.gz POBQLRQNBCPDEV-HNNXBMFYSA-N 2 2 334.895 3.445 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)nc3ccccn32)C1 ZINC000120759634 1293337614 /nfs/dbraw/zinc/33/76/14/1293337614.db2.gz POBQLRQNBCPDEV-HNNXBMFYSA-N 2 2 334.895 3.445 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC[NH+](C)CC1 ZINC000122360410 1293410172 /nfs/dbraw/zinc/41/01/72/1293410172.db2.gz GUTHDPUYTLCDHV-QGZVFWFLSA-N 3 2 344.547 3.041 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000130935425 1293673534 /nfs/dbraw/zinc/67/35/34/1293673534.db2.gz LHONQTHWKPIEIQ-UHFFFAOYSA-N 2 2 342.487 3.450 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161213445 1294286236 /nfs/dbraw/zinc/28/62/36/1294286236.db2.gz SYBHZMRITKFNBP-LJQANCHMSA-N 2 2 346.475 3.028 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161213445 1294286240 /nfs/dbraw/zinc/28/62/40/1294286240.db2.gz SYBHZMRITKFNBP-LJQANCHMSA-N 2 2 346.475 3.028 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@H]3COC4(CCCCCC4)O3)cc2)c[nH+]1 ZINC000181096769 1294936135 /nfs/dbraw/zinc/93/61/35/1294936135.db2.gz SINAFTPLDFZOID-IBGZPJMESA-N 2 2 341.455 3.428 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)cc(F)c1O ZINC000184899680 1295228345 /nfs/dbraw/zinc/22/83/45/1295228345.db2.gz ZKMLVXYHQNFGMQ-NSHDSACASA-N 2 2 345.256 3.430 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000237187606 1296225449 /nfs/dbraw/zinc/22/54/49/1296225449.db2.gz CEMAHVDLCGEPCL-UHFFFAOYSA-N 2 2 328.403 3.259 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000237508802 1296247202 /nfs/dbraw/zinc/24/72/02/1296247202.db2.gz YAUZFLCDICCMEP-QGZVFWFLSA-N 2 2 348.450 3.438 20 0 EGADLP c1nn(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230550 1296342999 /nfs/dbraw/zinc/34/29/99/1296342999.db2.gz CEDINSGQMQDOPT-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230550 1296343010 /nfs/dbraw/zinc/34/30/10/1296343010.db2.gz CEDINSGQMQDOPT-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230550 1296343022 /nfs/dbraw/zinc/34/30/22/1296343022.db2.gz CEDINSGQMQDOPT-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000246230550 1296343033 /nfs/dbraw/zinc/34/30/33/1296343033.db2.gz CEDINSGQMQDOPT-RXVVDRJESA-N 2 2 336.483 3.456 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)[C@@H](C)C1 ZINC000249461113 1296444651 /nfs/dbraw/zinc/44/46/51/1296444651.db2.gz QXLIMWPFZDXJLX-GXTWGEPZSA-N 2 2 331.913 3.023 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)[C@@H](C)C1 ZINC000249461113 1296444656 /nfs/dbraw/zinc/44/46/56/1296444656.db2.gz QXLIMWPFZDXJLX-GXTWGEPZSA-N 2 2 331.913 3.023 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCC2 ZINC000872063795 1296710537 /nfs/dbraw/zinc/71/05/37/1296710537.db2.gz SPZZKXBGMGBPPQ-DOTOQJQBSA-N 2 2 341.455 3.272 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147439 1296767032 /nfs/dbraw/zinc/76/70/32/1296767032.db2.gz ATFSVBYHTFSMRC-SMDDNHRTSA-N 2 2 343.324 3.050 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147439 1296767043 /nfs/dbraw/zinc/76/70/43/1296767043.db2.gz ATFSVBYHTFSMRC-SMDDNHRTSA-N 2 2 343.324 3.050 20 0 EGADLP CCOc1cccc(F)c1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000873029398 1297234201 /nfs/dbraw/zinc/23/42/01/1297234201.db2.gz GDMCEQSKQIUELQ-UHFFFAOYSA-N 2 2 346.446 3.455 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350436 1297255363 /nfs/dbraw/zinc/25/53/63/1297255363.db2.gz NGDRUBFAZLGOGZ-CJNGLKHVSA-N 2 2 325.294 3.454 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000328350436 1297255372 /nfs/dbraw/zinc/25/53/72/1297255372.db2.gz NGDRUBFAZLGOGZ-CJNGLKHVSA-N 2 2 325.294 3.454 20 0 EGADLP Fc1cccc([C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873204660 1297349555 /nfs/dbraw/zinc/34/95/55/1297349555.db2.gz HWQNSQWITBUULG-KRWDZBQOSA-N 2 2 332.444 3.106 20 0 EGADLP Fc1cccc([C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873204660 1297349567 /nfs/dbraw/zinc/34/95/67/1297349567.db2.gz HWQNSQWITBUULG-KRWDZBQOSA-N 2 2 332.444 3.106 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647228 1297507172 /nfs/dbraw/zinc/50/71/72/1297507172.db2.gz CBBWLPAJTMXCOF-KBPBESRZSA-N 2 2 331.416 3.049 20 0 EGADLP COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000365647228 1297507181 /nfs/dbraw/zinc/50/71/81/1297507181.db2.gz CBBWLPAJTMXCOF-KBPBESRZSA-N 2 2 331.416 3.049 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373114610 1297514731 /nfs/dbraw/zinc/51/47/31/1297514731.db2.gz BMKVWVKDCAIAHF-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373114610 1297514735 /nfs/dbraw/zinc/51/47/35/1297514735.db2.gz BMKVWVKDCAIAHF-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120072 1297607875 /nfs/dbraw/zinc/60/78/75/1297607875.db2.gz CBMFVTZQDPNSHP-ULQDDVLXSA-N 2 2 339.524 3.238 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000389120072 1297607885 /nfs/dbraw/zinc/60/78/85/1297607885.db2.gz CBMFVTZQDPNSHP-ULQDDVLXSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000392071855 1297650204 /nfs/dbraw/zinc/65/02/04/1297650204.db2.gz WCXGMOQUFIOHTL-XKGZKEIXSA-N 2 2 332.488 3.235 20 0 EGADLP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000392071855 1297650215 /nfs/dbraw/zinc/65/02/15/1297650215.db2.gz WCXGMOQUFIOHTL-XKGZKEIXSA-N 2 2 332.488 3.235 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CC[C@@H](C)C[C@@H]2n2cncn2)cc1 ZINC000423254243 1297796270 /nfs/dbraw/zinc/79/62/70/1297796270.db2.gz ZQZQGFXZIPJCKD-TTYHFUOFSA-N 2 2 341.503 3.421 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525987 1298239674 /nfs/dbraw/zinc/23/96/74/1298239674.db2.gz DEMJCCUBDIRGLO-MJGOQNOKSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nn(C)c2ccccc12 ZINC000708525987 1298239683 /nfs/dbraw/zinc/23/96/83/1298239683.db2.gz DEMJCCUBDIRGLO-MJGOQNOKSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(Br)n1 ZINC000925230411 1325088796 /nfs/dbraw/zinc/08/87/96/1325088796.db2.gz AVQCRDXKHGOQCE-LBPRGKRZSA-N 2 2 335.249 3.392 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498804 1298266169 /nfs/dbraw/zinc/26/61/69/1298266169.db2.gz PHDCKRVTAPXOCK-RHSMWYFYSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(C)c1Cl ZINC000712498804 1298266181 /nfs/dbraw/zinc/26/61/81/1298266181.db2.gz PHDCKRVTAPXOCK-RHSMWYFYSA-N 2 2 332.879 3.074 20 0 EGADLP Cc1cc(CNC(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000876927325 1299070812 /nfs/dbraw/zinc/07/08/12/1299070812.db2.gz YTNUBBXZOSYACI-OAHLLOKOSA-N 2 2 337.345 3.033 20 0 EGADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC000876930673 1299071916 /nfs/dbraw/zinc/07/19/16/1299071916.db2.gz ZFYYUMPEWGCNNE-SJORKVTESA-N 2 2 331.504 3.478 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877115965 1299162378 /nfs/dbraw/zinc/16/23/78/1299162378.db2.gz YBXQYPYIWKKUNI-GXTWGEPZSA-N 2 2 328.287 3.390 20 0 EGADLP c1ccc2c(c1)OC1(CCOCC1)C[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000877870643 1299616673 /nfs/dbraw/zinc/61/66/73/1299616673.db2.gz DKFVOCOTQMJJER-LJQANCHMSA-N 2 2 342.483 3.276 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567070 1301164659 /nfs/dbraw/zinc/16/46/59/1301164659.db2.gz DSAQOLSKHMNXKI-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP FC(F)C(F)(F)COCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570924 1301166562 /nfs/dbraw/zinc/16/65/62/1301166562.db2.gz ZRJHTNYUUMXNGE-CQSZACIVSA-N 2 2 345.340 3.131 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858897 1301179127 /nfs/dbraw/zinc/17/91/27/1301179127.db2.gz PSTDCADWQICMRZ-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759858897 1301179134 /nfs/dbraw/zinc/17/91/34/1301179134.db2.gz PSTDCADWQICMRZ-SUMWQHHRSA-N 2 2 328.859 3.176 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295301 1301437339 /nfs/dbraw/zinc/43/73/39/1301437339.db2.gz WYOKEHSZPZFRIZ-HKUYNNGSSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)Cn1cccn1 ZINC000761295301 1301437349 /nfs/dbraw/zinc/43/73/49/1301437349.db2.gz WYOKEHSZPZFRIZ-HKUYNNGSSA-N 2 2 326.488 3.162 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC2)cc1 ZINC000766059572 1302379151 /nfs/dbraw/zinc/37/91/51/1302379151.db2.gz IEVPPQAWHDQJEH-IBGZPJMESA-N 2 2 333.520 3.108 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275964 1302420405 /nfs/dbraw/zinc/42/04/05/1302420405.db2.gz ZPXZISBQPUJQSC-GJZGRUSLSA-N 2 2 330.476 3.105 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275964 1302420411 /nfs/dbraw/zinc/42/04/11/1302420411.db2.gz ZPXZISBQPUJQSC-GJZGRUSLSA-N 2 2 330.476 3.105 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000883388195 1302427832 /nfs/dbraw/zinc/42/78/32/1302427832.db2.gz OZFYXUHBMLTHDV-QFBILLFUSA-N 2 2 336.439 3.249 20 0 EGADLP COc1cccc([C@H]2C[NH2+]CCN2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000883456228 1302451184 /nfs/dbraw/zinc/45/11/84/1302451184.db2.gz RVMGWNCDGOPOQM-OAQYLSRUSA-N 2 2 348.450 3.027 20 0 EGADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000769544342 1303138087 /nfs/dbraw/zinc/13/80/87/1303138087.db2.gz VLQHUNCEGLLNEL-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000769544342 1303138091 /nfs/dbraw/zinc/13/80/91/1303138091.db2.gz VLQHUNCEGLLNEL-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC[NH+]1CCCCCC1)NC(=O)OC(C)(C)C ZINC000769681485 1303157224 /nfs/dbraw/zinc/15/72/24/1303157224.db2.gz POWWQFNZTXTPKR-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP c1ccc([C@@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC000885891614 1303268323 /nfs/dbraw/zinc/26/83/23/1303268323.db2.gz KMLRQLIANOUSLD-VQTJNVASSA-N 2 2 344.499 3.141 20 0 EGADLP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)[nH+]c1C ZINC000886667747 1303547719 /nfs/dbraw/zinc/54/77/19/1303547719.db2.gz HERNPQHFYKACRO-INIZCTEOSA-N 2 2 335.398 3.218 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)[nH+]c1C ZINC000886669889 1303548797 /nfs/dbraw/zinc/54/87/97/1303548797.db2.gz GKBWMKSKSQUQBW-UHFFFAOYSA-N 2 2 337.427 3.456 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3nc(CCC(C)C)no3)CC2)[nH+]c1C ZINC000886668708 1303548994 /nfs/dbraw/zinc/54/89/94/1303548994.db2.gz YEWPVUWOONFUCW-UHFFFAOYSA-N 2 2 331.464 3.378 20 0 EGADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000886865355 1303620233 /nfs/dbraw/zinc/62/02/33/1303620233.db2.gz IETUAJIOXXSCPV-NRFANRHFSA-N 2 2 337.467 3.244 20 0 EGADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000886865355 1303620238 /nfs/dbraw/zinc/62/02/38/1303620238.db2.gz IETUAJIOXXSCPV-NRFANRHFSA-N 2 2 337.467 3.244 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874299 1303622675 /nfs/dbraw/zinc/62/26/75/1303622675.db2.gz LBMNFCCQTVJNDI-OXQOHEQNSA-N 2 2 329.488 3.042 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874299 1303622683 /nfs/dbraw/zinc/62/26/83/1303622683.db2.gz LBMNFCCQTVJNDI-OXQOHEQNSA-N 2 2 329.488 3.042 20 0 EGADLP c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)[nH+]c1 ZINC000773138555 1303631775 /nfs/dbraw/zinc/63/17/75/1303631775.db2.gz MEIDPXROQFUKEL-VYDXJSESSA-N 2 2 335.542 3.020 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000775622373 1303996768 /nfs/dbraw/zinc/99/67/68/1303996768.db2.gz BGEJZKHLQKLGRO-QBPKDAKJSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000775622373 1303996773 /nfs/dbraw/zinc/99/67/73/1303996773.db2.gz BGEJZKHLQKLGRO-QBPKDAKJSA-N 2 2 339.524 3.142 20 0 EGADLP CCCCC[C@H](CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000775742289 1304026858 /nfs/dbraw/zinc/02/68/58/1304026858.db2.gz UAQQQMBWXWPVBI-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP CCCCC[C@H](CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000775742289 1304026864 /nfs/dbraw/zinc/02/68/64/1304026864.db2.gz UAQQQMBWXWPVBI-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP CC(C)COC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000776599213 1304179700 /nfs/dbraw/zinc/17/97/00/1304179700.db2.gz YPRRVJKDBFAPLW-UHFFFAOYSA-N 2 2 344.499 3.174 20 0 EGADLP CC(C)COC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000776599213 1304179704 /nfs/dbraw/zinc/17/97/04/1304179704.db2.gz YPRRVJKDBFAPLW-UHFFFAOYSA-N 2 2 344.499 3.174 20 0 EGADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026473 1304521106 /nfs/dbraw/zinc/52/11/06/1304521106.db2.gz WTZOBVRUAOHVOL-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779026473 1304521111 /nfs/dbraw/zinc/52/11/11/1304521111.db2.gz WTZOBVRUAOHVOL-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP O=C1CC2(CCCC2)CN1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782941839 1305026912 /nfs/dbraw/zinc/02/69/12/1305026912.db2.gz CYJRHBZABPEQFO-UHFFFAOYSA-N 2 2 344.503 3.126 20 0 EGADLP C[C@H](C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000785480592 1305361540 /nfs/dbraw/zinc/36/15/40/1305361540.db2.gz OBUIPMGFCPUALD-MRXNPFEDSA-N 2 2 349.519 3.400 20 0 EGADLP C[C@H](C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000785480592 1305361552 /nfs/dbraw/zinc/36/15/52/1305361552.db2.gz OBUIPMGFCPUALD-MRXNPFEDSA-N 2 2 349.519 3.400 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785744410 1305421093 /nfs/dbraw/zinc/42/10/93/1305421093.db2.gz VCHDANQGDXJYCN-IYBDPMFKSA-N 2 2 327.428 3.097 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785744410 1305421099 /nfs/dbraw/zinc/42/10/99/1305421099.db2.gz VCHDANQGDXJYCN-IYBDPMFKSA-N 2 2 327.428 3.097 20 0 EGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000892614005 1305470429 /nfs/dbraw/zinc/47/04/29/1305470429.db2.gz OONGFSCFMSVHAZ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000892614005 1305470435 /nfs/dbraw/zinc/47/04/35/1305470435.db2.gz OONGFSCFMSVHAZ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP COc1cccc(-c2csc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000893706140 1306040314 /nfs/dbraw/zinc/04/03/14/1306040314.db2.gz BFOHSOUJKUMGCN-AWEZNQCLSA-N 2 2 340.452 3.120 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000893980086 1306161944 /nfs/dbraw/zinc/16/19/44/1306161944.db2.gz GXHDFLDHMOOVSJ-HAKIGUCZSA-N 2 2 345.506 3.329 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000893980086 1306161948 /nfs/dbraw/zinc/16/19/48/1306161948.db2.gz GXHDFLDHMOOVSJ-HAKIGUCZSA-N 2 2 345.506 3.329 20 0 EGADLP Cc1noc2ncc(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)cc12 ZINC000894580575 1308964584 /nfs/dbraw/zinc/96/45/84/1308964584.db2.gz HPWOCGHIMNTWBY-UHFFFAOYSA-N 2 2 338.411 3.278 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)[C@H]1SC ZINC000895705738 1309475818 /nfs/dbraw/zinc/47/58/18/1309475818.db2.gz FKNXWIXTPNOLRM-WNRNVDISSA-N 2 2 331.485 3.123 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827792 1317427910 /nfs/dbraw/zinc/42/79/10/1317427910.db2.gz WMAXARVUWMVFCA-SFHVURJKSA-N 2 2 348.491 3.105 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827792 1317427914 /nfs/dbraw/zinc/42/79/14/1317427914.db2.gz WMAXARVUWMVFCA-SFHVURJKSA-N 2 2 348.491 3.105 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000805922621 1317438894 /nfs/dbraw/zinc/43/88/94/1317438894.db2.gz LRKXOOQRMISBKR-UHFFFAOYSA-N 2 2 329.444 3.052 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000805922621 1317438898 /nfs/dbraw/zinc/43/88/98/1317438898.db2.gz LRKXOOQRMISBKR-UHFFFAOYSA-N 2 2 329.444 3.052 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000957561390 1317458575 /nfs/dbraw/zinc/45/85/75/1317458575.db2.gz PRHVIIBYQFTSFW-IAGOWNOFSA-N 2 2 344.503 3.018 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000957561390 1317458580 /nfs/dbraw/zinc/45/85/80/1317458580.db2.gz PRHVIIBYQFTSFW-IAGOWNOFSA-N 2 2 344.503 3.018 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)C1 ZINC000902408120 1317574340 /nfs/dbraw/zinc/57/43/40/1317574340.db2.gz XGMLTKVCJKTZKP-GFCCVEGCSA-N 2 2 344.425 3.106 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)nn1 ZINC000902750170 1317612734 /nfs/dbraw/zinc/61/27/34/1317612734.db2.gz BDQXCDKFMXDZQQ-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)nn1 ZINC000902750170 1317612739 /nfs/dbraw/zinc/61/27/39/1317612739.db2.gz BDQXCDKFMXDZQQ-IXDOHACOSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cn(C)nn1 ZINC000902782256 1317615863 /nfs/dbraw/zinc/61/58/63/1317615863.db2.gz BMMKBAKGKPIPLD-INIZCTEOSA-N 2 2 327.476 3.042 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001020296533 1317632190 /nfs/dbraw/zinc/63/21/90/1317632190.db2.gz UUVIJGFVNRTFDO-IYARVYRRSA-N 2 2 348.450 3.230 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1C ZINC001020296132 1317632857 /nfs/dbraw/zinc/63/28/57/1317632857.db2.gz GIUHAUAGPICAQS-IYARVYRRSA-N 2 2 348.450 3.230 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nc(-c3cccs3)no2)CCC1 ZINC000903814662 1317736905 /nfs/dbraw/zinc/73/69/05/1317736905.db2.gz OKLIWKKBSSSXDH-CQSZACIVSA-N 2 2 332.473 3.282 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nc(-c3cccs3)no2)CCC1 ZINC000903814662 1317736912 /nfs/dbraw/zinc/73/69/12/1317736912.db2.gz OKLIWKKBSSSXDH-CQSZACIVSA-N 2 2 332.473 3.282 20 0 EGADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848433 1328719082 /nfs/dbraw/zinc/71/90/82/1328719082.db2.gz SCGUXNUQEJXAAU-UZLBHIALSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c2ccccc21 ZINC000929848433 1328719083 /nfs/dbraw/zinc/71/90/83/1328719083.db2.gz SCGUXNUQEJXAAU-UZLBHIALSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c2ccccc21 ZINC000929848433 1328719084 /nfs/dbraw/zinc/71/90/84/1328719084.db2.gz SCGUXNUQEJXAAU-UZLBHIALSA-N 2 2 338.499 3.217 20 0 EGADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000929848433 1328719085 /nfs/dbraw/zinc/71/90/85/1328719085.db2.gz SCGUXNUQEJXAAU-UZLBHIALSA-N 2 2 338.499 3.217 20 0 EGADLP Clc1ccccc1[C@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884292 1317741115 /nfs/dbraw/zinc/74/11/15/1317741115.db2.gz WVJMZGFJLRDTJX-KBXCAEBGSA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccccc1[C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884292 1317741119 /nfs/dbraw/zinc/74/11/19/1317741119.db2.gz WVJMZGFJLRDTJX-KBXCAEBGSA-N 2 2 345.878 3.193 20 0 EGADLP C[N@@H+](Cc1csc2ccccc12)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885633 1317742040 /nfs/dbraw/zinc/74/20/40/1317742040.db2.gz NWHGGPXOKFTDLW-OAHLLOKOSA-N 2 2 341.484 3.049 20 0 EGADLP C[N@H+](Cc1csc2ccccc12)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885633 1317742049 /nfs/dbraw/zinc/74/20/49/1317742049.db2.gz NWHGGPXOKFTDLW-OAHLLOKOSA-N 2 2 341.484 3.049 20 0 EGADLP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309660 1317828303 /nfs/dbraw/zinc/82/83/03/1317828303.db2.gz ONFZLEZAVRUXTF-ICSRJNTNSA-N 2 2 332.488 3.066 20 0 EGADLP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904309660 1317828310 /nfs/dbraw/zinc/82/83/10/1317828310.db2.gz ONFZLEZAVRUXTF-ICSRJNTNSA-N 2 2 332.488 3.066 20 0 EGADLP CCCCN(C)C(=O)C1CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904313246 1317828524 /nfs/dbraw/zinc/82/85/24/1317828524.db2.gz XPJVQPLPDRDKGW-QGZVFWFLSA-N 2 2 325.541 3.111 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000904346596 1317834420 /nfs/dbraw/zinc/83/44/20/1317834420.db2.gz UUESWVPADQAOMO-QZTJIDSGSA-N 2 2 349.563 3.255 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738742 1317884139 /nfs/dbraw/zinc/88/41/39/1317884139.db2.gz HLCSMYDRZLRUJL-UHFFFAOYSA-N 2 2 334.895 3.330 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738742 1317884148 /nfs/dbraw/zinc/88/41/48/1317884148.db2.gz HLCSMYDRZLRUJL-UHFFFAOYSA-N 2 2 334.895 3.330 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001021420999 1318242407 /nfs/dbraw/zinc/24/24/07/1318242407.db2.gz BCEDLXDSUZYXOO-AYHJJNSGSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1 ZINC001021420999 1318242414 /nfs/dbraw/zinc/24/24/14/1318242414.db2.gz BCEDLXDSUZYXOO-AYHJJNSGSA-N 2 2 344.503 3.034 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC000960598427 1318725238 /nfs/dbraw/zinc/72/52/38/1318725238.db2.gz VDUCKEYVUVESSN-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC000960598427 1318725246 /nfs/dbraw/zinc/72/52/46/1318725246.db2.gz VDUCKEYVUVESSN-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000960673068 1318788210 /nfs/dbraw/zinc/78/82/10/1318788210.db2.gz OPANRZIKPQZRKB-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000960673068 1318788221 /nfs/dbraw/zinc/78/82/21/1318788221.db2.gz OPANRZIKPQZRKB-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000960673068 1318788229 /nfs/dbraw/zinc/78/82/29/1318788229.db2.gz OPANRZIKPQZRKB-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000960673068 1318788243 /nfs/dbraw/zinc/78/82/43/1318788243.db2.gz OPANRZIKPQZRKB-TVPLGVNVSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000912814295 1318940226 /nfs/dbraw/zinc/94/02/26/1318940226.db2.gz VFUKNZFAIJXXAU-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905034 1319045457 /nfs/dbraw/zinc/04/54/57/1319045457.db2.gz UUJNNUMVEAMIHE-WMZOPIPTSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC000960905034 1319045466 /nfs/dbraw/zinc/04/54/66/1319045466.db2.gz UUJNNUMVEAMIHE-WMZOPIPTSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905675 1319048578 /nfs/dbraw/zinc/04/85/78/1319048578.db2.gz XMQSGWWROQSFQQ-DOTOQJQBSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC000960905675 1319048586 /nfs/dbraw/zinc/04/85/86/1319048586.db2.gz XMQSGWWROQSFQQ-DOTOQJQBSA-N 2 2 346.500 3.019 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2cnc(C)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817915917 1319460399 /nfs/dbraw/zinc/46/03/99/1319460399.db2.gz RMUFJJOBBQAVLO-ROUUACIJSA-N 2 2 331.485 3.086 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CCC[NH2+]1 ZINC000817975282 1319482993 /nfs/dbraw/zinc/48/29/93/1319482993.db2.gz SOAVNKDBFYFIBH-DYVFJYSZSA-N 2 2 326.868 3.076 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961358245 1319516460 /nfs/dbraw/zinc/51/64/60/1319516460.db2.gz FHFTVQVPNJYHTN-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000961358245 1319516468 /nfs/dbraw/zinc/51/64/68/1319516468.db2.gz FHFTVQVPNJYHTN-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](Cc1ccccc1NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000820699802 1319935634 /nfs/dbraw/zinc/93/56/34/1319935634.db2.gz RSOPWIBGJXGFBM-UHFFFAOYSA-N 2 2 326.444 3.355 20 0 EGADLP C[N@@H+](Cc1ccccc1NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000820699802 1319935641 /nfs/dbraw/zinc/93/56/41/1319935641.db2.gz RSOPWIBGJXGFBM-UHFFFAOYSA-N 2 2 326.444 3.355 20 0 EGADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC000820868802 1319970320 /nfs/dbraw/zinc/97/03/20/1319970320.db2.gz RNACCZSPOAIHFY-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+]C3CCC(COC)CC3)cc2)CC1 ZINC000823495248 1320183726 /nfs/dbraw/zinc/18/37/26/1320183726.db2.gz BRWZCJDFXXYWHF-UHFFFAOYSA-N 2 2 331.504 3.446 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000823830904 1320209720 /nfs/dbraw/zinc/20/97/20/1320209720.db2.gz IYBVYEDKSFUZLG-BZUAXINKSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000823830904 1320209723 /nfs/dbraw/zinc/20/97/23/1320209723.db2.gz IYBVYEDKSFUZLG-BZUAXINKSA-N 2 2 339.524 3.094 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000824086513 1320227602 /nfs/dbraw/zinc/22/76/02/1320227602.db2.gz XHXVTKDAKUIRQT-UHFFFAOYSA-N 2 2 341.503 3.128 20 0 EGADLP C[C@@H]1C[C@H](C[NH2+]CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824235462 1320240992 /nfs/dbraw/zinc/24/09/92/1320240992.db2.gz AVSIKPISZXRJLU-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]1C[C@@H](C[NH2+]C2(C[NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824333089 1320249142 /nfs/dbraw/zinc/24/91/42/1320249142.db2.gz SKLVMTUDFYYINM-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)O1 ZINC000840871933 1321166155 /nfs/dbraw/zinc/16/61/55/1321166155.db2.gz IJLYXOUKQHVFOU-IXDOHACOSA-N 2 2 331.504 3.125 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c(Cl)nc21 ZINC000841090062 1321216702 /nfs/dbraw/zinc/21/67/02/1321216702.db2.gz UZJXLEWVNSCKNM-OAHLLOKOSA-N 2 2 347.894 3.430 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nnc(-c3ccco3)o2)cc1 ZINC000859215984 1328948932 /nfs/dbraw/zinc/94/89/32/1328948932.db2.gz VMNOLGIIAHIDGS-UHFFFAOYSA-N 2 2 326.400 3.023 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nnc(-c3ccco3)o2)cc1 ZINC000859215984 1328948937 /nfs/dbraw/zinc/94/89/37/1328948937.db2.gz VMNOLGIIAHIDGS-UHFFFAOYSA-N 2 2 326.400 3.023 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000842476243 1321394026 /nfs/dbraw/zinc/39/40/26/1321394026.db2.gz KAAPKWBSZPQFBU-LJQANCHMSA-N 2 2 337.467 3.270 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843050900 1321462491 /nfs/dbraw/zinc/46/24/91/1321462491.db2.gz ARHPBKZFFTVLJO-WMLDXEAASA-N 2 2 346.906 3.452 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843050900 1321462494 /nfs/dbraw/zinc/46/24/94/1321462494.db2.gz ARHPBKZFFTVLJO-WMLDXEAASA-N 2 2 346.906 3.452 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2cc1C(C)C ZINC000843386563 1321509678 /nfs/dbraw/zinc/50/96/78/1321509678.db2.gz KDYKKCFIEKFKSD-HNAYVOBHSA-N 2 2 340.467 3.409 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2cc1C(C)C ZINC000843386563 1321509681 /nfs/dbraw/zinc/50/96/81/1321509681.db2.gz KDYKKCFIEKFKSD-HNAYVOBHSA-N 2 2 340.467 3.409 20 0 EGADLP C[C@H](CC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470862 1321710716 /nfs/dbraw/zinc/71/07/16/1321710716.db2.gz AGYCLAGMUOLWQA-IEBWSBKVSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@H](CC(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845470862 1321710720 /nfs/dbraw/zinc/71/07/20/1321710720.db2.gz AGYCLAGMUOLWQA-IEBWSBKVSA-N 2 2 341.455 3.290 20 0 EGADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1cccc(F)c1 ZINC000849079930 1322069979 /nfs/dbraw/zinc/06/99/79/1322069979.db2.gz BATQQBCWNLYJGO-INIZCTEOSA-N 2 2 336.361 3.343 20 0 EGADLP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000850157314 1322200342 /nfs/dbraw/zinc/20/03/42/1322200342.db2.gz PQLUAXNHOPCDGU-QAPCUYQASA-N 2 2 331.485 3.324 20 0 EGADLP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000850157314 1322200345 /nfs/dbraw/zinc/20/03/45/1322200345.db2.gz PQLUAXNHOPCDGU-QAPCUYQASA-N 2 2 331.485 3.324 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2cnccc2o1 ZINC000850432854 1322248543 /nfs/dbraw/zinc/24/85/43/1322248543.db2.gz CHVVXFGMRVQFHS-YOEHRIQHSA-N 2 2 329.444 3.122 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccccc1 ZINC000921799330 1322399504 /nfs/dbraw/zinc/39/95/04/1322399504.db2.gz FVLLCVYHBNLBRM-LJQANCHMSA-N 2 2 335.455 3.415 20 0 EGADLP c1ccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)no2)cc1 ZINC000923504030 1322764779 /nfs/dbraw/zinc/76/47/79/1322764779.db2.gz SKPHPDHCDXAJCM-INIZCTEOSA-N 2 2 340.471 3.338 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(Br)n1 ZINC000924578815 1323060686 /nfs/dbraw/zinc/06/06/86/1323060686.db2.gz RUTQHWPDIZHWKW-CYBMUJFWSA-N 2 2 326.282 3.371 20 0 EGADLP COc1ccnc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000924647588 1323092187 /nfs/dbraw/zinc/09/21/87/1323092187.db2.gz FTHGMKGEYGDNQM-QGZVFWFLSA-N 2 2 339.483 3.448 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924701371 1323119734 /nfs/dbraw/zinc/11/97/34/1323119734.db2.gz QIDJFFRHHUJOQE-DBVUQKKJSA-N 2 2 343.515 3.321 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924701371 1323119740 /nfs/dbraw/zinc/11/97/40/1323119740.db2.gz QIDJFFRHHUJOQE-DBVUQKKJSA-N 2 2 343.515 3.321 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024085798 1323120625 /nfs/dbraw/zinc/12/06/25/1323120625.db2.gz YJARTIKVUPSRGQ-IBGZPJMESA-N 2 2 346.519 3.072 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1(C)C ZINC000924733277 1323138387 /nfs/dbraw/zinc/13/83/87/1323138387.db2.gz RXHRENFTSIGMHD-OAHLLOKOSA-N 2 2 336.480 3.041 20 0 EGADLP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000924851865 1323187950 /nfs/dbraw/zinc/18/79/50/1323187950.db2.gz SFCVCOAUAVQXSH-FTRWYGJKSA-N 2 2 349.494 3.101 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000924874927 1323195545 /nfs/dbraw/zinc/19/55/45/1323195545.db2.gz VGTIAJCEBBKEJF-UONOGXRCSA-N 2 2 335.473 3.308 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000924874927 1323195550 /nfs/dbraw/zinc/19/55/50/1323195550.db2.gz VGTIAJCEBBKEJF-UONOGXRCSA-N 2 2 335.473 3.308 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001024185154 1323196205 /nfs/dbraw/zinc/19/62/05/1323196205.db2.gz UWVXWNHGCLDHCN-IEBWSBKVSA-N 2 2 346.519 3.243 20 0 EGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cnnn1-c1ccccc1 ZINC000924924890 1323214400 /nfs/dbraw/zinc/21/44/00/1323214400.db2.gz CMQQCSAFIUYTGT-MRXNPFEDSA-N 2 2 336.443 3.205 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c2ncnn21 ZINC000924964671 1323230352 /nfs/dbraw/zinc/23/03/52/1323230352.db2.gz SEZSULFVWUFCQR-LPHOPBHVSA-N 2 2 339.487 3.306 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931433088 1329116594 /nfs/dbraw/zinc/11/65/94/1329116594.db2.gz OUMDMDXSRVZEAZ-BPQIPLTHSA-N 2 2 329.488 3.022 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000931433088 1329116598 /nfs/dbraw/zinc/11/65/98/1329116598.db2.gz OUMDMDXSRVZEAZ-BPQIPLTHSA-N 2 2 329.488 3.022 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000931433088 1329116600 /nfs/dbraw/zinc/11/66/00/1329116600.db2.gz OUMDMDXSRVZEAZ-BPQIPLTHSA-N 2 2 329.488 3.022 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000931433088 1329116604 /nfs/dbraw/zinc/11/66/04/1329116604.db2.gz OUMDMDXSRVZEAZ-BPQIPLTHSA-N 2 2 329.488 3.022 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233182 1324020576 /nfs/dbraw/zinc/02/05/76/1324020576.db2.gz VGVNRXRNRKDEJC-MSOLQXFVSA-N 2 2 340.471 3.122 20 0 EGADLP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233182 1324020581 /nfs/dbraw/zinc/02/05/81/1324020581.db2.gz VGVNRXRNRKDEJC-MSOLQXFVSA-N 2 2 340.471 3.122 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236705 1324026574 /nfs/dbraw/zinc/02/65/74/1324026574.db2.gz HMLGKSAOKBGSMN-RBUKOAKNSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236705 1324026578 /nfs/dbraw/zinc/02/65/78/1324026578.db2.gz HMLGKSAOKBGSMN-RBUKOAKNSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236705 1324026584 /nfs/dbraw/zinc/02/65/84/1324026584.db2.gz HMLGKSAOKBGSMN-RBUKOAKNSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236705 1324026590 /nfs/dbraw/zinc/02/65/90/1324026590.db2.gz HMLGKSAOKBGSMN-RBUKOAKNSA-N 2 2 346.519 3.234 20 0 EGADLP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245170 1324042885 /nfs/dbraw/zinc/04/28/85/1324042885.db2.gz LTJRVHLNVHNQRA-ZWKOTPCHSA-N 2 2 326.444 3.042 20 0 EGADLP CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001025245170 1324042889 /nfs/dbraw/zinc/04/28/89/1324042889.db2.gz LTJRVHLNVHNQRA-ZWKOTPCHSA-N 2 2 326.444 3.042 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286801 1324108515 /nfs/dbraw/zinc/10/85/15/1324108515.db2.gz AVBRGKJUWMWKHE-SJORKVTESA-N 2 2 346.519 3.333 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001025286801 1324108518 /nfs/dbraw/zinc/10/85/18/1324108518.db2.gz AVBRGKJUWMWKHE-SJORKVTESA-N 2 2 346.519 3.333 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cn(C)cn1 ZINC000925134908 1325059172 /nfs/dbraw/zinc/05/91/72/1325059172.db2.gz UEWIUFSPYIHVOG-INIZCTEOSA-N 2 2 338.455 3.496 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn(C)cn1 ZINC000925134908 1325059182 /nfs/dbraw/zinc/05/91/82/1325059182.db2.gz UEWIUFSPYIHVOG-INIZCTEOSA-N 2 2 338.455 3.496 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001026919748 1325082950 /nfs/dbraw/zinc/08/29/50/1325082950.db2.gz NBAQZEZXDIAKBK-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001026963834 1325110006 /nfs/dbraw/zinc/11/00/06/1325110006.db2.gz WNYQKWCBCWDUFM-SFHVURJKSA-N 2 2 329.488 3.249 20 0 EGADLP c1ccc(COCc2ccccc2C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925546524 1325201594 /nfs/dbraw/zinc/20/15/94/1325201594.db2.gz OFJKCDCSZKOPIF-FADBTOOJSA-N 2 2 348.490 3.489 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925674283 1325258705 /nfs/dbraw/zinc/25/87/05/1325258705.db2.gz HUVQZFVFYVPXSC-KRWDZBQOSA-N 2 2 330.863 3.290 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750127 1325282462 /nfs/dbraw/zinc/28/24/62/1325282462.db2.gz CNUNWLOEJRSAFQ-LLVKDONJSA-N 2 2 337.439 3.259 20 0 EGADLP C[C@H](CCc1ccc(F)cc1F)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750127 1325282467 /nfs/dbraw/zinc/28/24/67/1325282467.db2.gz CNUNWLOEJRSAFQ-LLVKDONJSA-N 2 2 337.439 3.259 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCCC2 ZINC000925795830 1325304237 /nfs/dbraw/zinc/30/42/37/1325304237.db2.gz KSFZMZNXXDIIPR-GDBMZVCRSA-N 2 2 334.529 3.436 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000926111304 1325432086 /nfs/dbraw/zinc/43/20/86/1325432086.db2.gz BZOWAXHMFNTPDY-ZIFCJYIRSA-N 2 2 341.503 3.420 20 0 EGADLP CC(C)n1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000926111304 1325432088 /nfs/dbraw/zinc/43/20/88/1325432088.db2.gz BZOWAXHMFNTPDY-ZIFCJYIRSA-N 2 2 341.503 3.420 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287432 1325504212 /nfs/dbraw/zinc/50/42/12/1325504212.db2.gz NZTWSTUGJZDIJV-IRXDYDNUSA-N 2 2 343.471 3.493 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)no1 ZINC000926287432 1325504217 /nfs/dbraw/zinc/50/42/17/1325504217.db2.gz NZTWSTUGJZDIJV-IRXDYDNUSA-N 2 2 343.471 3.493 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([N@H+](C)CC3CCCC3)C2)c[nH+]1 ZINC001027460519 1327706070 /nfs/dbraw/zinc/70/60/70/1327706070.db2.gz KBKBTRFCWHXYNQ-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCC3)C2)c[nH+]1 ZINC001027460519 1327706077 /nfs/dbraw/zinc/70/60/77/1327706077.db2.gz KBKBTRFCWHXYNQ-SFHVURJKSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927021160 1327823615 /nfs/dbraw/zinc/82/36/15/1327823615.db2.gz WMRANIICUKOOBF-MISYRCLQSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927021160 1327823622 /nfs/dbraw/zinc/82/36/22/1327823622.db2.gz WMRANIICUKOOBF-MISYRCLQSA-N 2 2 343.515 3.373 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908382 1328468128 /nfs/dbraw/zinc/46/81/28/1328468128.db2.gz PFCSJLBHHMCREQ-CRAIPNDOSA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908382 1328468138 /nfs/dbraw/zinc/46/81/38/1328468138.db2.gz PFCSJLBHHMCREQ-CRAIPNDOSA-N 2 2 348.535 3.189 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054243 1328518812 /nfs/dbraw/zinc/51/88/12/1328518812.db2.gz USXGWYCUIFQMFE-IBGZPJMESA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054243 1328518822 /nfs/dbraw/zinc/51/88/22/1328518822.db2.gz USXGWYCUIFQMFE-IBGZPJMESA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054618 1328520845 /nfs/dbraw/zinc/52/08/45/1328520845.db2.gz ZTYODEAUMKSMCE-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001028054618 1328520847 /nfs/dbraw/zinc/52/08/47/1328520847.db2.gz ZTYODEAUMKSMCE-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OC(F)F)cc2F)CCCO1 ZINC000865544198 1329711721 /nfs/dbraw/zinc/71/17/21/1329711721.db2.gz LROXEBYKPRGLQS-CYBMUJFWSA-N 2 2 346.393 3.018 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OC(F)F)cc2F)CCCO1 ZINC000865544198 1329711723 /nfs/dbraw/zinc/71/17/23/1329711723.db2.gz LROXEBYKPRGLQS-CYBMUJFWSA-N 2 2 346.393 3.018 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000931872969 1329767877 /nfs/dbraw/zinc/76/78/77/1329767877.db2.gz GEMRADUJUVIVGZ-MRXNPFEDSA-N 2 2 340.471 3.291 20 0 EGADLP CC(C)c1[nH+]ccn1CCNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000932645658 1329830544 /nfs/dbraw/zinc/83/05/44/1329830544.db2.gz ZJMOYILXTSCTJS-UHFFFAOYSA-N 2 2 344.459 3.015 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935392283 1330049577 /nfs/dbraw/zinc/04/95/77/1330049577.db2.gz SZXGUEQBXFGUKT-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935392283 1330049579 /nfs/dbraw/zinc/04/95/79/1330049579.db2.gz SZXGUEQBXFGUKT-SFHVURJKSA-N 2 2 348.450 3.300 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942486026 1331944871 /nfs/dbraw/zinc/94/48/71/1331944871.db2.gz LABKGQOXEYQMSZ-NVXWUHKLSA-N 2 2 342.487 3.211 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000942486026 1331944875 /nfs/dbraw/zinc/94/48/75/1331944875.db2.gz LABKGQOXEYQMSZ-NVXWUHKLSA-N 2 2 342.487 3.211 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C[C@@H]1C ZINC000944443647 1332412991 /nfs/dbraw/zinc/41/29/91/1332412991.db2.gz HMVGTDFJQQOXEH-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C[C@@H]1C ZINC000944443647 1332412992 /nfs/dbraw/zinc/41/29/92/1332412992.db2.gz HMVGTDFJQQOXEH-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@H+](CC(C)C)C[C@H]3CC2)c(C)[nH+]1 ZINC000946691107 1332877896 /nfs/dbraw/zinc/87/78/96/1332877896.db2.gz YKSOVJSSZJHZBP-KDURUIRLSA-N 2 2 343.515 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@@H+](CC(C)C)C[C@H]3CC2)c(C)[nH+]1 ZINC000946691107 1332877897 /nfs/dbraw/zinc/87/78/97/1332877897.db2.gz YKSOVJSSZJHZBP-KDURUIRLSA-N 2 2 343.515 3.447 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)[C@@H](C)C2)c[nH+]1 ZINC000947436428 1333126794 /nfs/dbraw/zinc/12/67/94/1333126794.db2.gz ITGHXADSMSWDFP-FUHWJXTLSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)[C@@H](C)C2)c[nH+]1 ZINC000947436428 1333126797 /nfs/dbraw/zinc/12/67/97/1333126797.db2.gz ITGHXADSMSWDFP-FUHWJXTLSA-N 2 2 346.519 3.086 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947441891 1333128759 /nfs/dbraw/zinc/12/87/59/1333128759.db2.gz MDPZDDORJQHKOJ-QAPCUYQASA-N 2 2 347.503 3.038 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC000947441891 1333128761 /nfs/dbraw/zinc/12/87/61/1333128761.db2.gz MDPZDDORJQHKOJ-QAPCUYQASA-N 2 2 347.503 3.038 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000948090908 1333372252 /nfs/dbraw/zinc/37/22/52/1333372252.db2.gz QOCFINTXDYCUAB-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000948090908 1333372256 /nfs/dbraw/zinc/37/22/56/1333372256.db2.gz QOCFINTXDYCUAB-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP CC1CCC(C[N@H+]2CCC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000948811999 1333692379 /nfs/dbraw/zinc/69/23/79/1333692379.db2.gz DAJGVSCHVDTQQE-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000950961933 1334161187 /nfs/dbraw/zinc/16/11/87/1334161187.db2.gz HOLYXXPLQCXWAS-HKUYNNGSSA-N 2 2 340.471 3.130 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCCC[N@H+]3CC(C)C)ccn12 ZINC000968858370 1336070991 /nfs/dbraw/zinc/07/09/91/1336070991.db2.gz CNAHBHBDZITWPU-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCCCC[N@@H+]3CC(C)C)ccn12 ZINC000968858370 1336070994 /nfs/dbraw/zinc/07/09/94/1336070994.db2.gz CNAHBHBDZITWPU-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2cc(Br)c(F)cc2F)CC1 ZINC001206499727 1371073861 /nfs/dbraw/zinc/07/38/61/1371073861.db2.gz AZIDBWUPHIBCIZ-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCC4CCCC4)C3)ccn12 ZINC001014447800 1337780231 /nfs/dbraw/zinc/78/02/31/1337780231.db2.gz QBALHIFAIVGJSL-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCC4CCCC4)C3)ccn12 ZINC001014447800 1337780234 /nfs/dbraw/zinc/78/02/34/1337780234.db2.gz QBALHIFAIVGJSL-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940705 1337961090 /nfs/dbraw/zinc/96/10/90/1337961090.db2.gz LOSNNOLLLGZEDV-JXFKEZNVSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(N[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014940705 1337961096 /nfs/dbraw/zinc/96/10/96/1337961096.db2.gz LOSNNOLLLGZEDV-JXFKEZNVSA-N 2 2 346.434 3.055 20 0 EGADLP C[N@H+](C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001017238448 1338971767 /nfs/dbraw/zinc/97/17/67/1338971767.db2.gz QKZISNKMKQXFKF-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)CC1CCCCCC1 ZINC001017238448 1338971769 /nfs/dbraw/zinc/97/17/69/1338971769.db2.gz QKZISNKMKQXFKF-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CC4CCCCC4)C3)ccn12 ZINC001018849172 1339737624 /nfs/dbraw/zinc/73/76/24/1339737624.db2.gz PWUNHIQBMUMUFW-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001029165518 1340946576 /nfs/dbraw/zinc/94/65/76/1340946576.db2.gz IJBIANDZXUHVBN-HNNXBMFYSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001029177417 1340949668 /nfs/dbraw/zinc/94/96/68/1340949668.db2.gz WQVOFFOUUQXKAE-KRWDZBQOSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001029897252 1341109587 /nfs/dbraw/zinc/10/95/87/1341109587.db2.gz OIZIVZKEICSCBO-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001029897252 1341109588 /nfs/dbraw/zinc/10/95/88/1341109588.db2.gz OIZIVZKEICSCBO-GOSISDBHSA-N 2 2 346.519 3.011 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3C[NH+](CCC4CCCCC4)C3)ccn12 ZINC001030312484 1341177875 /nfs/dbraw/zinc/17/78/75/1341177875.db2.gz KBCZOOXQJFWZIV-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030593752 1341199542 /nfs/dbraw/zinc/19/95/42/1341199542.db2.gz BSMHKCLUOXSSFQ-PMACEKPBSA-N 2 2 343.515 3.059 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030593752 1341199543 /nfs/dbraw/zinc/19/95/43/1341199543.db2.gz BSMHKCLUOXSSFQ-PMACEKPBSA-N 2 2 343.515 3.059 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031045799 1341269216 /nfs/dbraw/zinc/26/92/16/1341269216.db2.gz URQWBDKUVJDWOH-WOJBJXKFSA-N 2 2 343.515 3.201 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031045799 1341269218 /nfs/dbraw/zinc/26/92/18/1341269218.db2.gz URQWBDKUVJDWOH-WOJBJXKFSA-N 2 2 343.515 3.201 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(NC(=O)[C@H](C)[NH+]3CCCCCC3)C2)c1 ZINC001031049956 1341270318 /nfs/dbraw/zinc/27/03/18/1341270318.db2.gz UPRGINLRCIFTNM-MSOLQXFVSA-N 2 2 343.515 3.121 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031772266 1341399798 /nfs/dbraw/zinc/39/97/98/1341399798.db2.gz FWTHXJWZAAMMLA-HXUWFJFHSA-N 2 2 348.450 3.376 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033191627 1341748693 /nfs/dbraw/zinc/74/86/93/1341748693.db2.gz JKAYQSZURBLXQW-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033191627 1341748694 /nfs/dbraw/zinc/74/86/94/1341748694.db2.gz JKAYQSZURBLXQW-QGZVFWFLSA-N 2 2 340.471 3.290 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033872738 1342052188 /nfs/dbraw/zinc/05/21/88/1342052188.db2.gz LTLICIPPUDEBPL-MRXNPFEDSA-N 2 2 326.444 3.066 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033872738 1342052190 /nfs/dbraw/zinc/05/21/90/1342052190.db2.gz LTLICIPPUDEBPL-MRXNPFEDSA-N 2 2 326.444 3.066 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCC2CCCCCC2)C1 ZINC001034547433 1342610895 /nfs/dbraw/zinc/61/08/95/1342610895.db2.gz QFWRDDYQGNYROS-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCC2CCCCCC2)C1 ZINC001034547433 1342610900 /nfs/dbraw/zinc/61/09/00/1342610900.db2.gz QFWRDDYQGNYROS-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001034764758 1342743522 /nfs/dbraw/zinc/74/35/22/1342743522.db2.gz XPENIJJIBVNIJW-IYARVYRRSA-N 2 2 346.519 3.330 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245643 1343067721 /nfs/dbraw/zinc/06/77/21/1343067721.db2.gz WLHSSAGRMUDLFH-MRXNPFEDSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001035245643 1343067724 /nfs/dbraw/zinc/06/77/24/1343067724.db2.gz WLHSSAGRMUDLFH-MRXNPFEDSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036395123 1343463055 /nfs/dbraw/zinc/46/30/55/1343463055.db2.gz PCTKJMCUZWVPKD-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001036416674 1343474113 /nfs/dbraw/zinc/47/41/13/1343474113.db2.gz PXBKSMKWXILTJG-GDBMZVCRSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001036475780 1343506238 /nfs/dbraw/zinc/50/62/38/1343506238.db2.gz XVDFOLGGKMOCHC-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029702 1343937706 /nfs/dbraw/zinc/93/77/06/1343937706.db2.gz CWROFRXZZLJIOV-WBVHZDCISA-N 2 2 340.471 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001037244739 1344065223 /nfs/dbraw/zinc/06/52/23/1344065223.db2.gz GETATECRYKSSDR-MSOLQXFVSA-N 2 2 346.519 3.106 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001037246404 1344066125 /nfs/dbraw/zinc/06/61/25/1344066125.db2.gz LGQQDSPAFURWJB-MSOLQXFVSA-N 2 2 344.503 3.026 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037965360 1344208412 /nfs/dbraw/zinc/20/84/12/1344208412.db2.gz CZXZXMYBVDQUGJ-MSOLQXFVSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414162 1344417409 /nfs/dbraw/zinc/41/74/09/1344417409.db2.gz AIHJTDIWMVWFCQ-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1CCC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001038414162 1344417412 /nfs/dbraw/zinc/41/74/12/1344417412.db2.gz AIHJTDIWMVWFCQ-QGZVFWFLSA-N 2 2 338.455 3.258 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039162598 1344847950 /nfs/dbraw/zinc/84/79/50/1344847950.db2.gz XRPBOTWVSBOWQL-HKUYNNGSSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001039162598 1344847951 /nfs/dbraw/zinc/84/79/51/1344847951.db2.gz XRPBOTWVSBOWQL-HKUYNNGSSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214971 1344930607 /nfs/dbraw/zinc/93/06/07/1344930607.db2.gz ICRZICPOXPFJCJ-IRXDYDNUSA-N 2 2 340.471 3.059 20 0 EGADLP CC(C)[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cccc3[nH+]ccn32)C1 ZINC001039214971 1344930609 /nfs/dbraw/zinc/93/06/09/1344930609.db2.gz ICRZICPOXPFJCJ-IRXDYDNUSA-N 2 2 340.471 3.059 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407819 1345720407 /nfs/dbraw/zinc/72/04/07/1345720407.db2.gz RPAWAOKDGUFVFE-MGPUTAFESA-N 2 2 340.471 3.147 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407819 1345720409 /nfs/dbraw/zinc/72/04/09/1345720409.db2.gz RPAWAOKDGUFVFE-MGPUTAFESA-N 2 2 340.471 3.147 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718015 1345829939 /nfs/dbraw/zinc/82/99/39/1345829939.db2.gz WKPHYLZVPCHBQE-YLJYHZDGSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)n1cc[nH+]c1 ZINC001041718015 1345829940 /nfs/dbraw/zinc/82/99/40/1345829940.db2.gz WKPHYLZVPCHBQE-YLJYHZDGSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001043990239 1346230413 /nfs/dbraw/zinc/23/04/13/1346230413.db2.gz XWQCFQXGPSTMJN-UHFFFAOYSA-N 2 2 344.503 3.040 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646495 1346391956 /nfs/dbraw/zinc/39/19/56/1346391956.db2.gz BNNXDBGARMSHQS-YJBOKZPZSA-N 2 2 348.450 3.346 20 0 EGADLP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001045476130 1346603091 /nfs/dbraw/zinc/60/30/91/1346603091.db2.gz COLSSESUUOJTAK-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958664 1346793441 /nfs/dbraw/zinc/79/34/41/1346793441.db2.gz VWEVZNODQPOXAH-ICSRJNTNSA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001045958664 1346793442 /nfs/dbraw/zinc/79/34/42/1346793442.db2.gz VWEVZNODQPOXAH-ICSRJNTNSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969836 1346805447 /nfs/dbraw/zinc/80/54/47/1346805447.db2.gz ZZDNXGJBYCYTGA-QUCCMNQESA-N 2 2 346.519 3.339 20 0 EGADLP CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969836 1346805449 /nfs/dbraw/zinc/80/54/49/1346805449.db2.gz ZZDNXGJBYCYTGA-QUCCMNQESA-N 2 2 346.519 3.339 20 0 EGADLP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001047240184 1347266369 /nfs/dbraw/zinc/26/63/69/1347266369.db2.gz DIZWIDFBXSZPHE-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001047821317 1347381438 /nfs/dbraw/zinc/38/14/38/1347381438.db2.gz OXBUBDUQXJGWLS-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)ccn12 ZINC001048526020 1347578336 /nfs/dbraw/zinc/57/83/36/1347578336.db2.gz MNLOJUUPZHAODU-VBUUOAMHSA-N 2 2 340.471 3.024 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)ccn12 ZINC001048526020 1347578337 /nfs/dbraw/zinc/57/83/37/1347578337.db2.gz MNLOJUUPZHAODU-VBUUOAMHSA-N 2 2 340.471 3.024 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759465 1348005331 /nfs/dbraw/zinc/00/53/31/1348005331.db2.gz PNOPKQXBCYJVLC-NZSAHSFTSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001049759465 1348005337 /nfs/dbraw/zinc/00/53/37/1348005337.db2.gz PNOPKQXBCYJVLC-NZSAHSFTSA-N 2 2 344.503 3.090 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001050564342 1348290676 /nfs/dbraw/zinc/29/06/76/1348290676.db2.gz PKLDRYCMKVIRBB-OAHLLOKOSA-N 2 2 340.471 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC001052896459 1348732832 /nfs/dbraw/zinc/73/28/32/1348732832.db2.gz CBCMLVZMFBZUOP-VJFUWPCTSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001052896459 1348732835 /nfs/dbraw/zinc/73/28/35/1348732835.db2.gz CBCMLVZMFBZUOP-VJFUWPCTSA-N 2 2 346.519 3.058 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001052970728 1348780993 /nfs/dbraw/zinc/78/09/93/1348780993.db2.gz WIUVOJQNSJJKRI-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001052970728 1348780997 /nfs/dbraw/zinc/78/09/97/1348780997.db2.gz WIUVOJQNSJJKRI-GOSISDBHSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001052987012 1348789199 /nfs/dbraw/zinc/78/91/99/1348789199.db2.gz ZIIAMYYYIFJRRL-RLLQIKCJSA-N 2 2 347.547 3.138 20 0 EGADLP CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001052987012 1348789202 /nfs/dbraw/zinc/78/92/02/1348789202.db2.gz ZIIAMYYYIFJRRL-RLLQIKCJSA-N 2 2 347.547 3.138 20 0 EGADLP C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962456 1357440429 /nfs/dbraw/zinc/44/04/29/1357440429.db2.gz KZDGENWMABCAOM-FZKQIMNGSA-N 2 2 340.471 3.049 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962456 1357440430 /nfs/dbraw/zinc/44/04/30/1357440430.db2.gz KZDGENWMABCAOM-FZKQIMNGSA-N 2 2 340.471 3.049 20 0 EGADLP CC(C)[N@@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269915 1349268664 /nfs/dbraw/zinc/26/86/64/1349268664.db2.gz VBGUFWGOLIMRKO-UHFFFAOYSA-N 2 2 334.423 3.217 20 0 EGADLP CC(C)[N@H+]1Cc2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2C1 ZINC001054269915 1349268669 /nfs/dbraw/zinc/26/86/69/1349268669.db2.gz VBGUFWGOLIMRKO-UHFFFAOYSA-N 2 2 334.423 3.217 20 0 EGADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]2C)cc1 ZINC001054797411 1349464996 /nfs/dbraw/zinc/46/49/96/1349464996.db2.gz GLMQDEUQZZIGLP-FOIQADDNSA-N 2 2 348.450 3.122 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CC1CCCCC1 ZINC001054798715 1349465382 /nfs/dbraw/zinc/46/53/82/1349465382.db2.gz YBBBFBKQYSKWKF-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001183496649 1387313224 /nfs/dbraw/zinc/31/32/24/1387313224.db2.gz PEOBHVBHKBSQEP-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245864 1387316602 /nfs/dbraw/zinc/31/66/02/1387316602.db2.gz HSYPRZJFRHVKLO-LSDHHAIUSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245864 1387316604 /nfs/dbraw/zinc/31/66/04/1387316604.db2.gz HSYPRZJFRHVKLO-LSDHHAIUSA-N 2 2 349.906 3.076 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496176 1387313481 /nfs/dbraw/zinc/31/34/81/1387313481.db2.gz HVJUBPUJMWZNEH-QZTJIDSGSA-N 2 2 334.508 3.097 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651421 1358660823 /nfs/dbraw/zinc/66/08/23/1358660823.db2.gz SUIQMBBVPZOBRO-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651421 1358660826 /nfs/dbraw/zinc/66/08/26/1358660826.db2.gz SUIQMBBVPZOBRO-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651421 1358660831 /nfs/dbraw/zinc/66/08/31/1358660831.db2.gz SUIQMBBVPZOBRO-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651421 1358660836 /nfs/dbraw/zinc/66/08/36/1358660836.db2.gz SUIQMBBVPZOBRO-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086121593 1359002374 /nfs/dbraw/zinc/00/23/74/1359002374.db2.gz AKMJQKYWRZVGDQ-WOVMCDHWSA-N 2 2 340.471 3.241 20 0 EGADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086122016 1359002629 /nfs/dbraw/zinc/00/26/29/1359002629.db2.gz RNEWCPXBPUIJGX-WOVMCDHWSA-N 2 2 340.471 3.241 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624462 1359561209 /nfs/dbraw/zinc/56/12/09/1359561209.db2.gz FUBKKDPIRZGASC-RPVQJOFSSA-N 2 2 328.460 3.192 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001087624462 1359561210 /nfs/dbraw/zinc/56/12/10/1359561210.db2.gz FUBKKDPIRZGASC-RPVQJOFSSA-N 2 2 328.460 3.192 20 0 EGADLP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001088413326 1359884270 /nfs/dbraw/zinc/88/42/70/1359884270.db2.gz CWUSJSYWPQHRHO-OFLPRAFFSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCCC1CCCC1 ZINC001088635623 1359998044 /nfs/dbraw/zinc/99/80/44/1359998044.db2.gz GJICZFSDPOEPEJ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCCC1CCCC1 ZINC001088635623 1359998047 /nfs/dbraw/zinc/99/80/47/1359998047.db2.gz GJICZFSDPOEPEJ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCCC1CCCC1 ZINC001088635623 1359998051 /nfs/dbraw/zinc/99/80/51/1359998051.db2.gz GJICZFSDPOEPEJ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCCC1CCCC1 ZINC001088635623 1359998053 /nfs/dbraw/zinc/99/80/53/1359998053.db2.gz GJICZFSDPOEPEJ-DDBAPUKQSA-N 2 2 344.503 3.063 20 0 EGADLP Cc1cccc(C[NH2+]C2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001091098463 1360991728 /nfs/dbraw/zinc/99/17/28/1360991728.db2.gz SSSKIDGSZYQJCH-UHFFFAOYSA-N 2 2 348.450 3.170 20 0 EGADLP CC(C)(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660707 1387505599 /nfs/dbraw/zinc/50/55/99/1387505599.db2.gz VHQANARFZUNIDH-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660566 1387505798 /nfs/dbraw/zinc/50/57/98/1387505798.db2.gz PVVUYSZHQMQSHR-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]c2ccccc12 ZINC001324207034 1387557442 /nfs/dbraw/zinc/55/74/42/1387557442.db2.gz HPVOJBGRBZZDSN-LJQANCHMSA-N 2 2 347.462 3.374 20 0 EGADLP Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]c2ccccc12 ZINC001324207034 1387557446 /nfs/dbraw/zinc/55/74/46/1387557446.db2.gz HPVOJBGRBZZDSN-LJQANCHMSA-N 2 2 347.462 3.374 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001324284722 1387580561 /nfs/dbraw/zinc/58/05/61/1387580561.db2.gz FKQFLDYVLOWJLJ-ROUUACIJSA-N 2 2 344.503 3.057 20 0 EGADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001324284722 1387580562 /nfs/dbraw/zinc/58/05/62/1387580562.db2.gz FKQFLDYVLOWJLJ-ROUUACIJSA-N 2 2 344.503 3.057 20 0 EGADLP CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097073840 1362834349 /nfs/dbraw/zinc/83/43/49/1362834349.db2.gz YCVZEZNBETXVMP-LIRZEXBASA-N 2 2 340.471 3.024 20 0 EGADLP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c(C)c[nH+]c3c1)C2 ZINC001097073840 1362834351 /nfs/dbraw/zinc/83/43/51/1362834351.db2.gz YCVZEZNBETXVMP-LIRZEXBASA-N 2 2 340.471 3.024 20 0 EGADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001097336983 1362939570 /nfs/dbraw/zinc/93/95/70/1362939570.db2.gz XFSLTCWTHLEFBL-SUMDDJOVSA-N 2 2 338.455 3.088 20 0 EGADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001097336983 1362939573 /nfs/dbraw/zinc/93/95/73/1362939573.db2.gz XFSLTCWTHLEFBL-SUMDDJOVSA-N 2 2 338.455 3.088 20 0 EGADLP CCC[NH2+][C@H](C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001098833698 1363486538 /nfs/dbraw/zinc/48/65/38/1363486538.db2.gz SPXRNPXFLHSHHQ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115643 1363632071 /nfs/dbraw/zinc/63/20/71/1363632071.db2.gz IYEWLUUWYRAPTL-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115643 1363632073 /nfs/dbraw/zinc/63/20/73/1363632073.db2.gz IYEWLUUWYRAPTL-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357963 1363770955 /nfs/dbraw/zinc/77/09/55/1363770955.db2.gz CWXNGXHOCHNHKP-ROUUACIJSA-N 2 2 348.535 3.316 20 0 EGADLP CC[C@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001099357963 1363770959 /nfs/dbraw/zinc/77/09/59/1363770959.db2.gz CWXNGXHOCHNHKP-ROUUACIJSA-N 2 2 348.535 3.316 20 0 EGADLP CC[C@H](C)C[NH2+]C1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001100819516 1364277703 /nfs/dbraw/zinc/27/77/03/1364277703.db2.gz XWEGLPMXFZNSBL-HJOIGYKYSA-N 2 2 340.471 3.016 20 0 EGADLP C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613883 1365137878 /nfs/dbraw/zinc/13/78/78/1365137878.db2.gz ZNRJWIQXVCKIKS-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001102613883 1365137882 /nfs/dbraw/zinc/13/78/82/1365137882.db2.gz ZNRJWIQXVCKIKS-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001185492172 1387730886 /nfs/dbraw/zinc/73/08/86/1387730886.db2.gz LYTJLUMSIFSFFL-YHLLGKTKSA-N 2 2 346.519 3.118 20 0 EGADLP CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103140349 1365403546 /nfs/dbraw/zinc/40/35/46/1365403546.db2.gz ZSHJBTRAWHGCPO-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103140349 1365403549 /nfs/dbraw/zinc/40/35/49/1365403549.db2.gz ZSHJBTRAWHGCPO-SJLPKXTDSA-N 2 2 348.535 3.191 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001324759505 1387762021 /nfs/dbraw/zinc/76/20/21/1387762021.db2.gz ZSENTJRUSLKYEM-FQEVSTJZSA-N 2 2 342.487 3.212 20 0 EGADLP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738015 1366151411 /nfs/dbraw/zinc/15/14/11/1366151411.db2.gz BILVOOOWPGKSCN-DRDDEIGGSA-N 2 2 346.519 3.265 20 0 EGADLP CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001104912129 1366220710 /nfs/dbraw/zinc/22/07/10/1366220710.db2.gz MJUGDOGTEPXLIF-NVXWUHKLSA-N 2 2 348.535 3.198 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([N@H+](C)CCC(C)(C)C)C3)ccn12 ZINC001190178461 1367192863 /nfs/dbraw/zinc/19/28/63/1367192863.db2.gz WKCIXUOWERLFLC-KRWDZBQOSA-N 2 2 342.487 3.225 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([N@@H+](C)CCC(C)(C)C)C3)ccn12 ZINC001190178461 1367192867 /nfs/dbraw/zinc/19/28/67/1367192867.db2.gz WKCIXUOWERLFLC-KRWDZBQOSA-N 2 2 342.487 3.225 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824852 1367342052 /nfs/dbraw/zinc/34/20/52/1367342052.db2.gz NDSLUUWPVIJMBK-ADTSIKJDSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109824852 1367342057 /nfs/dbraw/zinc/34/20/57/1367342057.db2.gz NDSLUUWPVIJMBK-ADTSIKJDSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824852 1367342064 /nfs/dbraw/zinc/34/20/64/1367342064.db2.gz NDSLUUWPVIJMBK-ADTSIKJDSA-N 2 2 344.503 3.056 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824852 1367342069 /nfs/dbraw/zinc/34/20/69/1367342069.db2.gz NDSLUUWPVIJMBK-ADTSIKJDSA-N 2 2 344.503 3.056 20 0 EGADLP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819253 1367359138 /nfs/dbraw/zinc/35/91/38/1367359138.db2.gz VVOCPLJSBLODDE-MGBKSAOESA-N 2 2 346.519 3.359 20 0 EGADLP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001190819253 1367359143 /nfs/dbraw/zinc/35/91/43/1367359143.db2.gz VVOCPLJSBLODDE-MGBKSAOESA-N 2 2 346.519 3.359 20 0 EGADLP CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC001108834275 1367627055 /nfs/dbraw/zinc/62/70/55/1367627055.db2.gz ISHWRJIEONFMJS-FHWLQOOXSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579368 1367824289 /nfs/dbraw/zinc/82/42/89/1367824289.db2.gz ZTOKXNGIAGRHFG-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)n1cc[nH+]c1 ZINC001192579368 1367824295 /nfs/dbraw/zinc/82/42/95/1367824295.db2.gz ZTOKXNGIAGRHFG-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110708313 1367940418 /nfs/dbraw/zinc/94/04/18/1367940418.db2.gz WKMAWSVBVZZGNL-KURKYZTESA-N 2 2 346.519 3.228 20 0 EGADLP CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001110708313 1367940423 /nfs/dbraw/zinc/94/04/23/1367940423.db2.gz WKMAWSVBVZZGNL-KURKYZTESA-N 2 2 346.519 3.228 20 0 EGADLP CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717765 1367946472 /nfs/dbraw/zinc/94/64/72/1367946472.db2.gz GYHJATFPOMVOSU-YTPVIUIMSA-N 2 2 338.455 3.254 20 0 EGADLP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001110717765 1367946476 /nfs/dbraw/zinc/94/64/76/1367946476.db2.gz GYHJATFPOMVOSU-YTPVIUIMSA-N 2 2 338.455 3.254 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001111074865 1368153800 /nfs/dbraw/zinc/15/38/00/1368153800.db2.gz FSROJJQXUFCTNJ-AITUJVMLSA-N 2 2 342.487 3.056 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001111074865 1368153806 /nfs/dbraw/zinc/15/38/06/1368153806.db2.gz FSROJJQXUFCTNJ-AITUJVMLSA-N 2 2 342.487 3.056 20 0 EGADLP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001112482370 1368879973 /nfs/dbraw/zinc/87/99/73/1368879973.db2.gz RPNLTTRVEKHWIZ-PXNSSMCTSA-N 2 2 329.488 3.249 20 0 EGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC001199170627 1369187430 /nfs/dbraw/zinc/18/74/30/1369187430.db2.gz KQPSKYLOASZSHK-UIFIKXQLSA-N 2 2 331.548 3.463 20 0 EGADLP C[C@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC001199296549 1369204033 /nfs/dbraw/zinc/20/40/33/1369204033.db2.gz VHCMLJCPEPDMLB-XCJLJZCSSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC001199296549 1369204037 /nfs/dbraw/zinc/20/40/37/1369204037.db2.gz VHCMLJCPEPDMLB-XCJLJZCSSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC001199296549 1369204042 /nfs/dbraw/zinc/20/40/42/1369204042.db2.gz VHCMLJCPEPDMLB-XCJLJZCSSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC001199296549 1369204044 /nfs/dbraw/zinc/20/40/44/1369204044.db2.gz VHCMLJCPEPDMLB-XCJLJZCSSA-N 2 2 329.532 3.359 20 0 EGADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1)[NH+](CC)CC ZINC001113341055 1369359366 /nfs/dbraw/zinc/35/93/66/1369359366.db2.gz JBQFZJBNCXTMNI-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857607 1369909692 /nfs/dbraw/zinc/90/96/92/1369909692.db2.gz VAAONHBCEFOWLK-HOTGVXAUSA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203080134 1369976141 /nfs/dbraw/zinc/97/61/41/1369976141.db2.gz SBFVOALVHGRRIB-QZTJIDSGSA-N 2 2 340.471 3.240 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203239580 1370036028 /nfs/dbraw/zinc/03/60/28/1370036028.db2.gz IUAAZCCVLUOYOK-IAGOWNOFSA-N 2 2 346.519 3.117 20 0 EGADLP Cc1ccccc1C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001203704108 1370228352 /nfs/dbraw/zinc/22/83/52/1370228352.db2.gz FFLIEWQESXVKBW-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP Cc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001203704108 1370228356 /nfs/dbraw/zinc/22/83/56/1370228356.db2.gz FFLIEWQESXVKBW-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001203898568 1370304045 /nfs/dbraw/zinc/30/40/45/1370304045.db2.gz CXNRDMAANNBLPU-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC001203898568 1370304051 /nfs/dbraw/zinc/30/40/51/1370304051.db2.gz CXNRDMAANNBLPU-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001204509365 1370497490 /nfs/dbraw/zinc/49/74/90/1370497490.db2.gz YYDCEEYQIMATPT-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1c(F)cccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204509365 1370497493 /nfs/dbraw/zinc/49/74/93/1370497493.db2.gz YYDCEEYQIMATPT-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001204877458 1370594631 /nfs/dbraw/zinc/59/46/31/1370594631.db2.gz JQUOOQXCELCFEF-AWEZNQCLSA-N 2 2 346.272 3.434 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)C1 ZINC001204877458 1370594633 /nfs/dbraw/zinc/59/46/33/1370594633.db2.gz JQUOOQXCELCFEF-AWEZNQCLSA-N 2 2 346.272 3.434 20 0 EGADLP CO[C@H](C)C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640588 1370632402 /nfs/dbraw/zinc/63/24/02/1370632402.db2.gz CFVOXNYQZILZOS-MRXNPFEDSA-N 2 2 347.503 3.064 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205197522 1370676668 /nfs/dbraw/zinc/67/66/68/1370676668.db2.gz PWKGOYMVPSYQHH-CRAIPNDOSA-N 2 2 325.456 3.385 20 0 EGADLP COc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205197522 1370676673 /nfs/dbraw/zinc/67/66/73/1370676673.db2.gz PWKGOYMVPSYQHH-CRAIPNDOSA-N 2 2 325.456 3.385 20 0 EGADLP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCCCC1 ZINC001115724999 1370705652 /nfs/dbraw/zinc/70/56/52/1370705652.db2.gz FBZWNSKKGSXYFA-MRXNPFEDSA-N 2 2 344.503 3.205 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205295545 1370709862 /nfs/dbraw/zinc/70/98/62/1370709862.db2.gz ABSYZRBCMFZCQF-INIZCTEOSA-N 2 2 341.293 3.469 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205295545 1370709865 /nfs/dbraw/zinc/70/98/65/1370709865.db2.gz ABSYZRBCMFZCQF-INIZCTEOSA-N 2 2 341.293 3.469 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205295917 1370710196 /nfs/dbraw/zinc/71/01/96/1370710196.db2.gz CKGIMLHCBCMUDA-MRXNPFEDSA-N 2 2 341.293 3.469 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205295917 1370710198 /nfs/dbraw/zinc/71/01/98/1370710198.db2.gz CKGIMLHCBCMUDA-MRXNPFEDSA-N 2 2 341.293 3.469 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205297029 1370711613 /nfs/dbraw/zinc/71/16/13/1370711613.db2.gz XCUSUXOKXSIJRP-MRXNPFEDSA-N 2 2 341.293 3.469 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205297029 1370711615 /nfs/dbraw/zinc/71/16/15/1370711615.db2.gz XCUSUXOKXSIJRP-MRXNPFEDSA-N 2 2 341.293 3.469 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001115752613 1370734201 /nfs/dbraw/zinc/73/42/01/1370734201.db2.gz LKGSTFURQMLIOP-QGZVFWFLSA-N 2 2 334.508 3.433 20 0 EGADLP CCC(CC)(CNC(=O)[C@H](C)n1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1 ZINC001116036617 1370824700 /nfs/dbraw/zinc/82/47/00/1370824700.db2.gz LKFLCHCBFINPBW-SJORKVTESA-N 2 2 342.487 3.470 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CCC1(F)F ZINC001205772129 1370865853 /nfs/dbraw/zinc/86/58/53/1370865853.db2.gz XVHXXIGGOXFNNR-GFCCVEGCSA-N 2 2 341.402 3.365 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3cccc(F)c3)s2)CCC1(F)F ZINC001205772129 1370865857 /nfs/dbraw/zinc/86/58/57/1370865857.db2.gz XVHXXIGGOXFNNR-GFCCVEGCSA-N 2 2 341.402 3.365 20 0 EGADLP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])n2)cc1 ZINC001205826832 1370884321 /nfs/dbraw/zinc/88/43/21/1370884321.db2.gz CHBTYBVLSYBFMX-YJBOKZPZSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2cccc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])n2)cc1 ZINC001205826832 1370884326 /nfs/dbraw/zinc/88/43/26/1370884326.db2.gz CHBTYBVLSYBFMX-YJBOKZPZSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c(Cl)nc2c1 ZINC001206173193 1370980171 /nfs/dbraw/zinc/98/01/71/1370980171.db2.gz FZAQFWHSOBCPGY-HUUCEWRRSA-N 2 2 337.826 3.158 20 0 EGADLP COc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c(Cl)nc2c1 ZINC001206173193 1370980175 /nfs/dbraw/zinc/98/01/75/1370980175.db2.gz FZAQFWHSOBCPGY-HUUCEWRRSA-N 2 2 337.826 3.158 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C)c1Br ZINC001206185194 1370984848 /nfs/dbraw/zinc/98/48/48/1370984848.db2.gz LLSLBZUQGMFIQX-UONOGXRCSA-N 2 2 329.257 3.327 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C)c1Br ZINC001206185194 1370984852 /nfs/dbraw/zinc/98/48/52/1370984852.db2.gz LLSLBZUQGMFIQX-UONOGXRCSA-N 2 2 329.257 3.327 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Br ZINC001206211044 1370994653 /nfs/dbraw/zinc/99/46/53/1370994653.db2.gz MNLABFPRSSKHRY-CHWSQXEVSA-N 2 2 345.256 3.109 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1Br ZINC001206211044 1370994656 /nfs/dbraw/zinc/99/46/56/1370994656.db2.gz MNLABFPRSSKHRY-CHWSQXEVSA-N 2 2 345.256 3.109 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@](N)(C(F)(F)F)C3)cc21 ZINC001206250502 1371003758 /nfs/dbraw/zinc/00/37/58/1371003758.db2.gz HAEZLEUMIRWWJL-QGZVFWFLSA-N 2 2 339.405 3.153 20 0 EGADLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@](N)(C(F)(F)F)C3)cc21 ZINC001206250502 1371003763 /nfs/dbraw/zinc/00/37/63/1371003763.db2.gz HAEZLEUMIRWWJL-QGZVFWFLSA-N 2 2 339.405 3.153 20 0 EGADLP CS[C@@H]1CC[C@H]([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133976 1371014063 /nfs/dbraw/zinc/01/40/63/1371014063.db2.gz RYVNAMXLWKMJOT-VQTJNVASSA-N 2 2 347.572 3.415 20 0 EGADLP CS[C@@H]1CC[C@H]([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001117133976 1371014069 /nfs/dbraw/zinc/01/40/69/1371014069.db2.gz RYVNAMXLWKMJOT-VQTJNVASSA-N 2 2 347.572 3.415 20 0 EGADLP CCOC(OCC)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206370613 1371035584 /nfs/dbraw/zinc/03/55/84/1371035584.db2.gz NQKQZAQPSLRDGF-LJQANCHMSA-N 2 2 338.467 3.411 20 0 EGADLP CCOC(OCC)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206370613 1371035587 /nfs/dbraw/zinc/03/55/87/1371035587.db2.gz NQKQZAQPSLRDGF-LJQANCHMSA-N 2 2 338.467 3.411 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001206427570 1371051579 /nfs/dbraw/zinc/05/15/79/1371051579.db2.gz IYMKGIDROCENAZ-QGZVFWFLSA-N 2 2 348.535 3.489 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001117573135 1371053616 /nfs/dbraw/zinc/05/36/16/1371053616.db2.gz SOMPTVSUNCHPID-KLAILNCOSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001117573135 1371053618 /nfs/dbraw/zinc/05/36/18/1371053618.db2.gz SOMPTVSUNCHPID-KLAILNCOSA-N 2 2 339.524 3.144 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C[NH+](C)C)cc1 ZINC001206519636 1371081426 /nfs/dbraw/zinc/08/14/26/1371081426.db2.gz ILWSZZKTQUARLS-UHFFFAOYSA-N 2 2 340.467 3.256 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1C1([NH3+])CC1 ZINC001206533103 1371085612 /nfs/dbraw/zinc/08/56/12/1371085612.db2.gz STTBIVIOEVFQRP-UHFFFAOYSA-N 2 2 338.451 3.142 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Br)c1 ZINC001206556642 1371093712 /nfs/dbraw/zinc/09/37/12/1371093712.db2.gz UOBLDWCGJVCLEC-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Br)c1 ZINC001206556642 1371093715 /nfs/dbraw/zinc/09/37/15/1371093715.db2.gz UOBLDWCGJVCLEC-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)cc1Cl ZINC001206565396 1371095663 /nfs/dbraw/zinc/09/56/63/1371095663.db2.gz SOLGDYASOCJMID-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(OC)cc1Cl ZINC001206565396 1371095668 /nfs/dbraw/zinc/09/56/68/1371095668.db2.gz SOLGDYASOCJMID-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639094 1371116543 /nfs/dbraw/zinc/11/65/43/1371116543.db2.gz BGMLAOVMCATSHH-CYBMUJFWSA-N 2 2 341.293 3.327 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206639094 1371116546 /nfs/dbraw/zinc/11/65/46/1371116546.db2.gz BGMLAOVMCATSHH-CYBMUJFWSA-N 2 2 341.293 3.327 20 0 EGADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+](CC1CC1)CC1CC1 ZINC001206714353 1371142502 /nfs/dbraw/zinc/14/25/02/1371142502.db2.gz DHSKHBTUILGGNR-UHFFFAOYSA-N 2 2 344.499 3.020 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206809481 1371176052 /nfs/dbraw/zinc/17/60/52/1371176052.db2.gz LSTGFQRITPHWBE-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1F ZINC001206809481 1371176053 /nfs/dbraw/zinc/17/60/53/1371176053.db2.gz LSTGFQRITPHWBE-NEPJUHHUSA-N 2 2 329.257 3.456 20 0 EGADLP c1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)n(C2CC2)c1 ZINC001119283666 1371297283 /nfs/dbraw/zinc/29/72/83/1371297283.db2.gz YOMKKIQFUXPPHI-UHFFFAOYSA-N 2 2 338.499 3.125 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)CC1 ZINC001207345287 1371367159 /nfs/dbraw/zinc/36/71/59/1371367159.db2.gz CPGNBTWXIKZOPX-QZTJIDSGSA-N 2 2 335.442 3.271 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@H]3CCCC[C@@H]3CCCO)cc2)CC1 ZINC001119631759 1371379242 /nfs/dbraw/zinc/37/92/42/1371379242.db2.gz DEIKNQIYFNZKIU-XLIONFOSSA-N 2 2 331.504 3.182 20 0 EGADLP Fc1ccccc1CCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001207490214 1371412113 /nfs/dbraw/zinc/41/21/13/1371412113.db2.gz HKCMSMLMMSTPCQ-UHFFFAOYSA-N 2 2 340.402 3.049 20 0 EGADLP Fc1ccccc1CCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001207490214 1371412115 /nfs/dbraw/zinc/41/21/15/1371412115.db2.gz HKCMSMLMMSTPCQ-UHFFFAOYSA-N 2 2 340.402 3.049 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001207491495 1371412692 /nfs/dbraw/zinc/41/26/92/1371412692.db2.gz ODOOSINHJJZUCT-PMACEKPBSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001207512608 1371421418 /nfs/dbraw/zinc/42/14/18/1371421418.db2.gz AMNNQSPWOJEHLW-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001207512608 1371421420 /nfs/dbraw/zinc/42/14/20/1371421420.db2.gz AMNNQSPWOJEHLW-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001207512608 1371421422 /nfs/dbraw/zinc/42/14/22/1371421422.db2.gz AMNNQSPWOJEHLW-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1 ZINC001207512608 1371421424 /nfs/dbraw/zinc/42/14/24/1371421424.db2.gz AMNNQSPWOJEHLW-UXHICEINSA-N 2 2 339.458 3.217 20 0 EGADLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1c(F)cccc1F)C2 ZINC001208118696 1371601991 /nfs/dbraw/zinc/60/19/91/1371601991.db2.gz TZRRSNQCTKPPQG-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1c(F)cccc1F)C2 ZINC001208118696 1371601994 /nfs/dbraw/zinc/60/19/94/1371601994.db2.gz TZRRSNQCTKPPQG-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1c(F)cccc1F)C2 ZINC001208118696 1371601999 /nfs/dbraw/zinc/60/19/99/1371601999.db2.gz TZRRSNQCTKPPQG-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1c(F)cccc1F)C2 ZINC001208118696 1371602001 /nfs/dbraw/zinc/60/20/01/1371602001.db2.gz TZRRSNQCTKPPQG-UHFFFAOYSA-N 2 2 348.441 3.060 20 0 EGADLP CC(C)CC[C@H](O)C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC001120581161 1371622534 /nfs/dbraw/zinc/62/25/34/1371622534.db2.gz HJKUQUNWLQYELL-ICSRJNTNSA-N 2 2 348.531 3.273 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CCCC1 ZINC001208185674 1371625446 /nfs/dbraw/zinc/62/54/46/1371625446.db2.gz DEXRKZHDACSZDH-DLBZAZTESA-N 2 2 347.528 3.050 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CCCC1 ZINC001208185674 1371625458 /nfs/dbraw/zinc/62/54/58/1371625458.db2.gz DEXRKZHDACSZDH-DLBZAZTESA-N 2 2 347.528 3.050 20 0 EGADLP CCOc1ccccc1N1CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208185023 1371625887 /nfs/dbraw/zinc/62/58/87/1371625887.db2.gz TXJCRZBVSFXZJT-UHFFFAOYSA-N 2 2 345.531 3.329 20 0 EGADLP CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386287 1371746781 /nfs/dbraw/zinc/74/67/81/1371746781.db2.gz AZOJGDOEPSSUEK-QZTJIDSGSA-N 2 2 334.508 3.097 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001208407759 1371756884 /nfs/dbraw/zinc/75/68/84/1371756884.db2.gz JGXVMEUXXSKJJL-KRWDZBQOSA-N 2 2 347.503 3.040 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208420482 1371761567 /nfs/dbraw/zinc/76/15/67/1371761567.db2.gz MIIOTJDCYDNPKD-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H](C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1)C(F)(F)F ZINC001208889999 1371933943 /nfs/dbraw/zinc/93/39/43/1371933943.db2.gz DNZXAFPCYHIFRU-AWEZNQCLSA-N 2 2 344.425 3.049 20 0 EGADLP C[C@@H](C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1)C(F)(F)F ZINC001208889999 1371933946 /nfs/dbraw/zinc/93/39/46/1371933946.db2.gz DNZXAFPCYHIFRU-AWEZNQCLSA-N 2 2 344.425 3.049 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001208984863 1371967974 /nfs/dbraw/zinc/96/79/74/1371967974.db2.gz IREUUOHAJOWOTF-IXDOHACOSA-N 2 2 334.508 3.097 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001208984863 1371967979 /nfs/dbraw/zinc/96/79/79/1371967979.db2.gz IREUUOHAJOWOTF-IXDOHACOSA-N 2 2 334.508 3.097 20 0 EGADLP O=C(OCC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1)c1ccccc1 ZINC001209043677 1371981626 /nfs/dbraw/zinc/98/16/26/1371981626.db2.gz SWENWTXTYWBQIY-UHFFFAOYSA-N 2 2 342.483 3.184 20 0 EGADLP O=C(OCC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1)c1ccccc1 ZINC001209043677 1371981629 /nfs/dbraw/zinc/98/16/29/1371981629.db2.gz SWENWTXTYWBQIY-UHFFFAOYSA-N 2 2 342.483 3.184 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001209138236 1372011472 /nfs/dbraw/zinc/01/14/72/1372011472.db2.gz YYKZSVGPGJNSJK-UHFFFAOYSA-N 2 2 327.513 3.050 20 0 EGADLP COCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001209216343 1372040718 /nfs/dbraw/zinc/04/07/18/1372040718.db2.gz VLGGYAQLFAVSLC-UHFFFAOYSA-N 2 2 337.533 3.309 20 0 EGADLP COCCCC[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001209216343 1372040719 /nfs/dbraw/zinc/04/07/19/1372040719.db2.gz VLGGYAQLFAVSLC-UHFFFAOYSA-N 2 2 337.533 3.309 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452200 1372109184 /nfs/dbraw/zinc/10/91/84/1372109184.db2.gz HJZUNOORCWRDAU-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209452200 1372109189 /nfs/dbraw/zinc/10/91/89/1372109189.db2.gz HJZUNOORCWRDAU-DLBZAZTESA-N 2 2 339.524 3.098 20 0 EGADLP CC[C@@H](C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475590 1372116927 /nfs/dbraw/zinc/11/69/27/1372116927.db2.gz UWEUNNHSDLQUBM-HOTGVXAUSA-N 2 2 349.475 3.146 20 0 EGADLP CC[C@@H](C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1)NC(=O)OC(C)(C)C ZINC001209475590 1372116929 /nfs/dbraw/zinc/11/69/29/1372116929.db2.gz UWEUNNHSDLQUBM-HOTGVXAUSA-N 2 2 349.475 3.146 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001123630747 1372531430 /nfs/dbraw/zinc/53/14/30/1372531430.db2.gz JBEANYAJWHTVBY-UHFFFAOYSA-N 2 2 340.471 3.367 20 0 EGADLP c1cn(-c2ccc(-c3noc(C4CC[NH+](C5CC5)CC4)n3)cc2)c[nH+]1 ZINC001211432401 1372557887 /nfs/dbraw/zinc/55/78/87/1372557887.db2.gz BSZPJIZUBFAMJC-UHFFFAOYSA-N 2 2 335.411 3.264 20 0 EGADLP CN(c1ccc(Nc2cnn(CC[NH+](C)C)c2)c[nH+]1)C1CCCCC1 ZINC001212613146 1372737670 /nfs/dbraw/zinc/73/76/70/1372737670.db2.gz FQGDCVUUJIEGSR-UHFFFAOYSA-N 2 2 342.491 3.352 20 0 EGADLP Cc1cc(C)cc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)c1 ZINC001214672235 1373100059 /nfs/dbraw/zinc/10/00/59/1373100059.db2.gz UVDUCAFTMCCIKT-UHFFFAOYSA-N 2 2 349.438 3.167 20 0 EGADLP CC(C)C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001214916226 1373141748 /nfs/dbraw/zinc/14/17/48/1373141748.db2.gz BGSBPTBFABLPGY-BHIYHBOVSA-N 2 2 346.519 3.097 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC001218811844 1373656438 /nfs/dbraw/zinc/65/64/38/1373656438.db2.gz LGRQQXAIBGISTD-MSOLQXFVSA-N 2 2 346.434 3.204 20 0 EGADLP Cc1ccccc1Oc1ccccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218851065 1373660539 /nfs/dbraw/zinc/66/05/39/1373660539.db2.gz HXWDXZAMLHFRIM-UHFFFAOYSA-N 2 2 339.439 3.067 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC001131273435 1373673257 /nfs/dbraw/zinc/67/32/57/1373673257.db2.gz LVTCGNKCVLNMED-ZDUSSCGKSA-N 2 2 342.830 3.068 20 0 EGADLP CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286135 1388282472 /nfs/dbraw/zinc/28/24/72/1388282472.db2.gz PTMZBUYFGZTUQP-GBESFXJTSA-N 2 2 346.519 3.049 20 0 EGADLP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286135 1388282478 /nfs/dbraw/zinc/28/24/78/1388282478.db2.gz PTMZBUYFGZTUQP-GBESFXJTSA-N 2 2 346.519 3.049 20 0 EGADLP COc1ccc2c(c1)n[nH]c2C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173119 1373819183 /nfs/dbraw/zinc/81/91/83/1373819183.db2.gz QYWONFUPICJEQA-HXUWFJFHSA-N 2 2 342.487 3.317 20 0 EGADLP COc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173119 1373819193 /nfs/dbraw/zinc/81/91/93/1373819193.db2.gz QYWONFUPICJEQA-HXUWFJFHSA-N 2 2 342.487 3.317 20 0 EGADLP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286580 1388283831 /nfs/dbraw/zinc/28/38/31/1388283831.db2.gz WTHALLSYMHJEGF-GBESFXJTSA-N 2 2 346.519 3.193 20 0 EGADLP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286580 1388283839 /nfs/dbraw/zinc/28/38/39/1388283839.db2.gz WTHALLSYMHJEGF-GBESFXJTSA-N 2 2 346.519 3.193 20 0 EGADLP CCOCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227637064 1375457823 /nfs/dbraw/zinc/45/78/23/1375457823.db2.gz PYYZPMQECPQLJP-QZTJIDSGSA-N 2 2 347.503 3.064 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132875236 1375616994 /nfs/dbraw/zinc/61/69/94/1375616994.db2.gz VPGCUQNYHLZJSP-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132875236 1375617003 /nfs/dbraw/zinc/61/70/03/1375617003.db2.gz VPGCUQNYHLZJSP-OSFIAYCASA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001132921403 1375646493 /nfs/dbraw/zinc/64/64/93/1375646493.db2.gz YUHGIMRXKZZBBB-YYTOUKDWSA-N 2 2 346.862 3.003 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001133002363 1375705147 /nfs/dbraw/zinc/70/51/47/1375705147.db2.gz PIJPASMNWWEBJR-FSJMSVOZSA-N 2 2 349.906 3.447 20 0 EGADLP C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001133246131 1375866629 /nfs/dbraw/zinc/86/66/29/1375866629.db2.gz QQFXLYAQNQQIPM-HOTGVXAUSA-N 2 2 348.535 3.198 20 0 EGADLP Oc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c2cccnc12 ZINC001232275886 1376428591 /nfs/dbraw/zinc/42/85/91/1376428591.db2.gz HNEDYUDDYBHZIP-UHFFFAOYSA-N 2 2 343.446 3.339 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCc2ccccc2)nc1 ZINC001232359386 1376449278 /nfs/dbraw/zinc/44/92/78/1376449278.db2.gz GIOPQMKTHSFUAM-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCc2ccccc2)nc1 ZINC001232359386 1376449304 /nfs/dbraw/zinc/44/93/04/1376449304.db2.gz GIOPQMKTHSFUAM-UHFFFAOYSA-N 2 2 327.472 3.434 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134403809 1376512455 /nfs/dbraw/zinc/51/24/55/1376512455.db2.gz UHXDTKSMBLNPOL-IRXDYDNUSA-N 2 2 348.535 3.071 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(OC)cc1C ZINC001232834222 1376521462 /nfs/dbraw/zinc/52/14/62/1376521462.db2.gz HJPMIGCQRVKISF-QGZVFWFLSA-N 2 2 342.439 3.369 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(OC)cc1C ZINC001232834222 1376521471 /nfs/dbraw/zinc/52/14/71/1376521471.db2.gz HJPMIGCQRVKISF-QGZVFWFLSA-N 2 2 342.439 3.369 20 0 EGADLP CC[C@@H]([NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001134517379 1376574479 /nfs/dbraw/zinc/57/44/79/1376574479.db2.gz FGEOKERFSUXRBH-WMLDXEAASA-N 2 2 348.878 3.345 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545953 1376585021 /nfs/dbraw/zinc/58/50/21/1376585021.db2.gz ULTUYBRQEGQDEV-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545953 1376585026 /nfs/dbraw/zinc/58/50/26/1376585026.db2.gz ULTUYBRQEGQDEV-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP CCC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134745764 1376694641 /nfs/dbraw/zinc/69/46/41/1376694641.db2.gz ZUTUOBFYUCZNPI-NXVGNOFTSA-N 2 2 347.503 3.252 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963816 1376813779 /nfs/dbraw/zinc/81/37/79/1376813779.db2.gz ATAVJKWLSBDUMD-HZPDHXFCSA-N 2 2 342.487 3.401 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1ccccc1 ZINC001134969227 1376818028 /nfs/dbraw/zinc/81/80/28/1376818028.db2.gz KTXTYKDAIRHPSQ-CVEARBPZSA-N 2 2 336.439 3.021 20 0 EGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020644 1376829334 /nfs/dbraw/zinc/82/93/34/1376829334.db2.gz GLXBWHATVMGXSI-HXUWFJFHSA-N 2 2 332.488 3.066 20 0 EGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020644 1376829337 /nfs/dbraw/zinc/82/93/37/1376829337.db2.gz GLXBWHATVMGXSI-HXUWFJFHSA-N 2 2 332.488 3.066 20 0 EGADLP COc1ncc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235036639 1376834735 /nfs/dbraw/zinc/83/47/35/1376834735.db2.gz AJGICMIWMOIOLC-FQEVSTJZSA-N 2 2 325.456 3.352 20 0 EGADLP COc1ncc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c2ccccc21 ZINC001235036639 1376834741 /nfs/dbraw/zinc/83/47/41/1376834741.db2.gz AJGICMIWMOIOLC-FQEVSTJZSA-N 2 2 325.456 3.352 20 0 EGADLP Clc1ccccc1-c1ccccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054594 1376844380 /nfs/dbraw/zinc/84/43/80/1376844380.db2.gz PXCCVDIVKJPBCR-FQEVSTJZSA-N 2 2 341.886 3.144 20 0 EGADLP Clc1ccccc1-c1ccccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054594 1376844383 /nfs/dbraw/zinc/84/43/83/1376844383.db2.gz PXCCVDIVKJPBCR-FQEVSTJZSA-N 2 2 341.886 3.144 20 0 EGADLP c1cc(-c2csc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235115186 1376848564 /nfs/dbraw/zinc/84/85/64/1376848564.db2.gz FNELHOZINONTTP-KRWDZBQOSA-N 2 2 334.510 3.431 20 0 EGADLP c1cc(-c2csc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235115186 1376848570 /nfs/dbraw/zinc/84/85/70/1376848570.db2.gz FNELHOZINONTTP-KRWDZBQOSA-N 2 2 334.510 3.431 20 0 EGADLP CC(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097373 1376894817 /nfs/dbraw/zinc/89/48/17/1376894817.db2.gz MFESRRXRLUADFT-IRXDYDNUSA-N 2 2 342.487 3.405 20 0 EGADLP Cc1ccc([C@]2(C)C[N@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947450 1376923029 /nfs/dbraw/zinc/92/30/29/1376923029.db2.gz BJVVBMMETYGPJZ-NXHRZFHOSA-N 2 2 338.442 3.033 20 0 EGADLP Cc1ccc([C@]2(C)C[N@@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)CCO2)cc1 ZINC001235947450 1376923034 /nfs/dbraw/zinc/92/30/34/1376923034.db2.gz BJVVBMMETYGPJZ-NXHRZFHOSA-N 2 2 338.442 3.033 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001135148468 1376935008 /nfs/dbraw/zinc/93/50/08/1376935008.db2.gz NQTSVDZIBYHCJJ-KGLIPLIRSA-N 2 2 348.516 3.025 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccc(Cl)nn2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207644 1376941062 /nfs/dbraw/zinc/94/10/62/1376941062.db2.gz OZEPUIRWDIEAFC-GOSISDBHSA-N 2 2 330.863 3.371 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)nn2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236207644 1376941068 /nfs/dbraw/zinc/94/10/68/1376941068.db2.gz OZEPUIRWDIEAFC-GOSISDBHSA-N 2 2 330.863 3.371 20 0 EGADLP COc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc2c1NC(C)(C)C=C2 ZINC001236207438 1376941652 /nfs/dbraw/zinc/94/16/52/1376941652.db2.gz ATVAIEGEGNDDCI-FQEVSTJZSA-N 2 2 329.488 3.486 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc2c1NC(C)(C)C=C2 ZINC001236207438 1376941655 /nfs/dbraw/zinc/94/16/55/1376941655.db2.gz ATVAIEGEGNDDCI-FQEVSTJZSA-N 2 2 329.488 3.486 20 0 EGADLP Fc1ccc(C[N@H+](CCCc2cccnc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389188 1376952302 /nfs/dbraw/zinc/95/23/02/1376952302.db2.gz ULNWFQHWFLAHQK-HXUWFJFHSA-N 2 2 327.447 3.408 20 0 EGADLP Fc1ccc(C[N@@H+](CCCc2cccnc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389188 1376952310 /nfs/dbraw/zinc/95/23/10/1376952310.db2.gz ULNWFQHWFLAHQK-HXUWFJFHSA-N 2 2 327.447 3.408 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237141107 1376976838 /nfs/dbraw/zinc/97/68/38/1376976838.db2.gz DDDPUGLMWVXTIC-NRFANRHFSA-N 2 2 340.467 3.191 20 0 EGADLP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237141107 1376976843 /nfs/dbraw/zinc/97/68/43/1376976843.db2.gz DDDPUGLMWVXTIC-NRFANRHFSA-N 2 2 340.467 3.191 20 0 EGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237141642 1376977047 /nfs/dbraw/zinc/97/70/47/1376977047.db2.gz JCWKVFBYRVNZSU-UWJYYQICSA-N 2 2 330.516 3.227 20 0 EGADLP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237141642 1376977051 /nfs/dbraw/zinc/97/70/51/1376977051.db2.gz JCWKVFBYRVNZSU-UWJYYQICSA-N 2 2 330.516 3.227 20 0 EGADLP CCN(C)c1cc(C)[nH+]c(-c2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001245338037 1377045889 /nfs/dbraw/zinc/04/58/89/1377045889.db2.gz UVJOIOZFLYPJES-UHFFFAOYSA-N 2 2 328.460 3.239 20 0 EGADLP Cc1cccn2cc(CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)C)[nH+]c12 ZINC001135680324 1377181656 /nfs/dbraw/zinc/18/16/56/1377181656.db2.gz UPNOOBVLSNQTAI-IRXDYDNUSA-N 2 2 344.503 3.104 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798981 1377213584 /nfs/dbraw/zinc/21/35/84/1377213584.db2.gz PPNVQKISDPNMRE-HZPDHXFCSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136052063 1377313853 /nfs/dbraw/zinc/31/38/53/1377313853.db2.gz KKQGORZXKBWOHA-DLBZAZTESA-N 2 2 348.535 3.196 20 0 EGADLP Cc1cccn2c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc12 ZINC001136964490 1377446528 /nfs/dbraw/zinc/44/65/28/1377446528.db2.gz VODANEJUTQZUSV-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1cccn2c(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnc12 ZINC001136964490 1377446529 /nfs/dbraw/zinc/44/65/29/1377446529.db2.gz VODANEJUTQZUSV-SFHVURJKSA-N 2 2 326.488 3.483 20 0 EGADLP Cc1c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)nc2ccccn12 ZINC001137274170 1377508685 /nfs/dbraw/zinc/50/86/85/1377508685.db2.gz JHCPELCNDVBMAW-ZWKOTPCHSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)nc2ccccn12 ZINC001137274170 1377508687 /nfs/dbraw/zinc/50/86/87/1377508687.db2.gz JHCPELCNDVBMAW-ZWKOTPCHSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc2ccccn12 ZINC001137274170 1377508691 /nfs/dbraw/zinc/50/86/91/1377508691.db2.gz JHCPELCNDVBMAW-ZWKOTPCHSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)nc2ccccn12 ZINC001137274170 1377508693 /nfs/dbraw/zinc/50/86/93/1377508693.db2.gz JHCPELCNDVBMAW-ZWKOTPCHSA-N 2 2 326.488 3.482 20 0 EGADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315243 1377516437 /nfs/dbraw/zinc/51/64/37/1377516437.db2.gz XXQIKPYGBZPJMG-OAQYLSRUSA-N 2 2 341.499 3.491 20 0 EGADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315243 1377516441 /nfs/dbraw/zinc/51/64/41/1377516441.db2.gz XXQIKPYGBZPJMG-OAQYLSRUSA-N 2 2 341.499 3.491 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315243 1377516445 /nfs/dbraw/zinc/51/64/45/1377516445.db2.gz XXQIKPYGBZPJMG-OAQYLSRUSA-N 2 2 341.499 3.491 20 0 EGADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)C1 ZINC001137315243 1377516449 /nfs/dbraw/zinc/51/64/49/1377516449.db2.gz XXQIKPYGBZPJMG-OAQYLSRUSA-N 2 2 341.499 3.491 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001270456727 1377607163 /nfs/dbraw/zinc/60/71/63/1377607163.db2.gz RYUAXOLITSPZME-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001270456727 1377607168 /nfs/dbraw/zinc/60/71/68/1377607168.db2.gz RYUAXOLITSPZME-KRWDZBQOSA-N 2 2 346.519 3.093 20 0 EGADLP c1cnn(-c2ccc(C[NH+]3CCC(Oc4cc[nH+]cc4)CC3)cc2)c1 ZINC001137754068 1377610162 /nfs/dbraw/zinc/61/01/62/1377610162.db2.gz JKDPASDELWGLAL-UHFFFAOYSA-N 2 2 334.423 3.311 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001137790199 1377617364 /nfs/dbraw/zinc/61/73/64/1377617364.db2.gz GJERNKAERVWHGC-ZWKOTPCHSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001137790199 1377617365 /nfs/dbraw/zinc/61/73/65/1377617365.db2.gz GJERNKAERVWHGC-ZWKOTPCHSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001137790199 1377617367 /nfs/dbraw/zinc/61/73/67/1377617367.db2.gz GJERNKAERVWHGC-ZWKOTPCHSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001137790199 1377617369 /nfs/dbraw/zinc/61/73/69/1377617369.db2.gz GJERNKAERVWHGC-ZWKOTPCHSA-N 2 2 330.472 3.312 20 0 EGADLP C[C@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@H+](CC2CCC2)C1 ZINC001270966614 1377620028 /nfs/dbraw/zinc/62/00/28/1377620028.db2.gz ZRCNECMYPWXNPG-HXUWFJFHSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@@H+](CC2CCC2)C1 ZINC001270966614 1377620029 /nfs/dbraw/zinc/62/00/29/1377620029.db2.gz ZRCNECMYPWXNPG-HXUWFJFHSA-N 2 2 340.471 3.195 20 0 EGADLP CC(=O)Oc1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001138046701 1377670993 /nfs/dbraw/zinc/67/09/93/1377670993.db2.gz WNQBRSCOPINJGY-UHFFFAOYSA-N 2 2 330.472 3.451 20 0 EGADLP CC(=O)Oc1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001138046701 1377670995 /nfs/dbraw/zinc/67/09/95/1377670995.db2.gz WNQBRSCOPINJGY-UHFFFAOYSA-N 2 2 330.472 3.451 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)c(C)c1 ZINC001138435762 1377723725 /nfs/dbraw/zinc/72/37/25/1377723725.db2.gz LWPRCOUXDCYVAQ-HXUWFJFHSA-N 2 2 346.515 3.469 20 0 EGADLP CCOc1ccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)c(C)c1 ZINC001138435762 1377723726 /nfs/dbraw/zinc/72/37/26/1377723726.db2.gz LWPRCOUXDCYVAQ-HXUWFJFHSA-N 2 2 346.515 3.469 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCN(C)c3ncccc3C2)cc1 ZINC001138549370 1377740584 /nfs/dbraw/zinc/74/05/84/1377740584.db2.gz ODXQYBOAYBHUIJ-UHFFFAOYSA-N 2 2 333.439 3.028 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC001138549370 1377740587 /nfs/dbraw/zinc/74/05/87/1377740587.db2.gz ODXQYBOAYBHUIJ-UHFFFAOYSA-N 2 2 333.439 3.028 20 0 EGADLP COc1ccc(C[N@H+]2CCc3[nH+]ccn3CC2)c2c(OC)cccc12 ZINC001138752917 1377780415 /nfs/dbraw/zinc/78/04/15/1377780415.db2.gz YVGQSUULIIQACU-UHFFFAOYSA-N 2 2 337.423 3.112 20 0 EGADLP COc1ccc2cc(C[N@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc2c1 ZINC001139307250 1377865664 /nfs/dbraw/zinc/86/56/64/1377865664.db2.gz ANDGFKKVFBTFHA-UHFFFAOYSA-N 2 2 342.830 3.152 20 0 EGADLP COc1ccc2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc2c1 ZINC001139307250 1377865666 /nfs/dbraw/zinc/86/56/66/1377865666.db2.gz ANDGFKKVFBTFHA-UHFFFAOYSA-N 2 2 342.830 3.152 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(-n2cncn2)cc1 ZINC001139333540 1377869769 /nfs/dbraw/zinc/86/97/69/1377869769.db2.gz YGSFUKCADRBOKZ-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(-n2cncn2)cc1 ZINC001139333540 1377869773 /nfs/dbraw/zinc/86/97/73/1377869773.db2.gz YGSFUKCADRBOKZ-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP c1cn(-c2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2)c[nH+]1 ZINC001139360627 1377874275 /nfs/dbraw/zinc/87/42/75/1377874275.db2.gz ZXABALWKNFTYCN-UHFFFAOYSA-N 2 2 334.423 3.311 20 0 EGADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(C)=O)CC1 ZINC001139362778 1377874348 /nfs/dbraw/zinc/87/43/48/1377874348.db2.gz PJDFVIDQMZSTPH-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(C)=O)CC1 ZINC001139362778 1377874349 /nfs/dbraw/zinc/87/43/49/1377874349.db2.gz PJDFVIDQMZSTPH-UHFFFAOYSA-N 2 2 340.471 3.095 20 0 EGADLP Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364491 1377874663 /nfs/dbraw/zinc/87/46/63/1377874663.db2.gz TYBORPKMHOVREE-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364491 1377874664 /nfs/dbraw/zinc/87/46/64/1377874664.db2.gz TYBORPKMHOVREE-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP C[N@H+](Cc1cnc2c(c1)OCCO2)C1CC[NH+](C2CCCCC2)CC1 ZINC001139737098 1377944185 /nfs/dbraw/zinc/94/41/85/1377944185.db2.gz BGKZNVOSWMWUCU-UHFFFAOYSA-N 2 2 345.487 3.082 20 0 EGADLP C[N@@H+](Cc1cnc2c(c1)OCCO2)C1CC[NH+](C2CCCCC2)CC1 ZINC001139737098 1377944188 /nfs/dbraw/zinc/94/41/88/1377944188.db2.gz BGKZNVOSWMWUCU-UHFFFAOYSA-N 2 2 345.487 3.082 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cnc(-c4ccc(OC)cc4)s3)C[C@@H]2C1 ZINC001139796369 1377951889 /nfs/dbraw/zinc/95/18/89/1377951889.db2.gz SYBIRYWOKYDIDM-HOTGVXAUSA-N 2 2 343.496 3.202 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139894975 1377974424 /nfs/dbraw/zinc/97/44/24/1377974424.db2.gz NCHRSKLVMUMRPL-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC001139894975 1377974425 /nfs/dbraw/zinc/97/44/25/1377974425.db2.gz NCHRSKLVMUMRPL-HXUWFJFHSA-N 2 2 339.483 3.310 20 0 EGADLP COc1ccc2n[nH]c(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC001140070613 1378000975 /nfs/dbraw/zinc/00/09/75/1378000975.db2.gz LFJFJAZSMAUESE-UHFFFAOYSA-N 2 2 347.422 3.389 20 0 EGADLP COc1ccc2n[nH]c(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC001140070613 1378000981 /nfs/dbraw/zinc/00/09/81/1378000981.db2.gz LFJFJAZSMAUESE-UHFFFAOYSA-N 2 2 347.422 3.389 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097574 1378007257 /nfs/dbraw/zinc/00/72/57/1378007257.db2.gz WUDSOIDECNONQG-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097574 1378007258 /nfs/dbraw/zinc/00/72/58/1378007258.db2.gz WUDSOIDECNONQG-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097574 1378007259 /nfs/dbraw/zinc/00/72/59/1378007259.db2.gz WUDSOIDECNONQG-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccc(F)cc4)s3)C2)C1 ZINC001140097574 1378007260 /nfs/dbraw/zinc/00/72/60/1378007260.db2.gz WUDSOIDECNONQG-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP COCC[N@H+](Cc1cccc(-c2nccs2)c1)C1CC[NH+](C)CC1 ZINC001140334500 1378048137 /nfs/dbraw/zinc/04/81/37/1378048137.db2.gz DAZQTGUJKALBES-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP COCC[N@@H+](Cc1cccc(-c2nccs2)c1)C1CC[NH+](C)CC1 ZINC001140334500 1378048138 /nfs/dbraw/zinc/04/81/38/1378048138.db2.gz DAZQTGUJKALBES-UHFFFAOYSA-N 2 2 345.512 3.353 20 0 EGADLP COc1cc(F)cc(C[N@@H+]2CCCN(c3cccc(C)[nH+]3)CC2)c1 ZINC001140484519 1378070794 /nfs/dbraw/zinc/07/07/94/1378070794.db2.gz RUIZUVYXRLIQJP-UHFFFAOYSA-N 2 2 329.419 3.250 20 0 EGADLP COc1cc(F)cc(C[N@H+]2CCCN(c3cccc(C)[nH+]3)CC2)c1 ZINC001140484519 1378070796 /nfs/dbraw/zinc/07/07/96/1378070796.db2.gz RUIZUVYXRLIQJP-UHFFFAOYSA-N 2 2 329.419 3.250 20 0 EGADLP CC/C=C\CCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273114667 1378087422 /nfs/dbraw/zinc/08/74/22/1378087422.db2.gz BOOFUDCLKCXDDW-FBQMEGEOSA-N 2 2 344.503 3.124 20 0 EGADLP CC/C=C\CCC[N@H+]1CCCC[C@@]12CC(=O)N(Cc1c[nH+]cn1C)C2 ZINC001273114667 1378087426 /nfs/dbraw/zinc/08/74/26/1378087426.db2.gz BOOFUDCLKCXDDW-FBQMEGEOSA-N 2 2 344.503 3.124 20 0 EGADLP OCc1ccc(C[NH+]2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)o1 ZINC001140681905 1378113679 /nfs/dbraw/zinc/11/36/79/1378113679.db2.gz OEFNYYPLRKSHOT-UHFFFAOYSA-N 2 2 349.390 3.279 20 0 EGADLP FC1(F)CC[N@H+](Cc2cc[nH]c2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001140705201 1378119253 /nfs/dbraw/zinc/11/92/53/1378119253.db2.gz CHCRDZRDXGFEBP-SFHVURJKSA-N 2 2 346.425 3.143 20 0 EGADLP FC1(F)CC[N@@H+](Cc2cc[nH]c2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001140705201 1378119255 /nfs/dbraw/zinc/11/92/55/1378119255.db2.gz CHCRDZRDXGFEBP-SFHVURJKSA-N 2 2 346.425 3.143 20 0 EGADLP FC1(F)CC[NH+](Cc2cc[nH]c2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001140705201 1378119259 /nfs/dbraw/zinc/11/92/59/1378119259.db2.gz CHCRDZRDXGFEBP-SFHVURJKSA-N 2 2 346.425 3.143 20 0 EGADLP FC1(F)CC[NH+](Cc2cc[nH]c2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001140705201 1378119263 /nfs/dbraw/zinc/11/92/63/1378119263.db2.gz CHCRDZRDXGFEBP-SFHVURJKSA-N 2 2 346.425 3.143 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001140773086 1378133755 /nfs/dbraw/zinc/13/37/55/1378133755.db2.gz KHXZKGMIELKNFZ-HOTGVXAUSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(O)cc(OC)c1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001140773086 1378133756 /nfs/dbraw/zinc/13/37/56/1378133756.db2.gz KHXZKGMIELKNFZ-HOTGVXAUSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(O)cc(OC)c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001140773086 1378133757 /nfs/dbraw/zinc/13/37/57/1378133757.db2.gz KHXZKGMIELKNFZ-HOTGVXAUSA-N 2 2 348.487 3.248 20 0 EGADLP COc1cc(O)cc(OC)c1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001140773086 1378133758 /nfs/dbraw/zinc/13/37/58/1378133758.db2.gz KHXZKGMIELKNFZ-HOTGVXAUSA-N 2 2 348.487 3.248 20 0 EGADLP CCOc1cccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c1 ZINC001140804778 1378144628 /nfs/dbraw/zinc/14/46/28/1378144628.db2.gz DVVAYSBSPFEYSY-UHFFFAOYSA-N 2 2 336.439 3.284 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703583 1378151296 /nfs/dbraw/zinc/15/12/96/1378151296.db2.gz WERCURAGRGAREV-MRXNPFEDSA-N 2 2 327.394 3.408 20 0 EGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703583 1378151300 /nfs/dbraw/zinc/15/13/00/1378151300.db2.gz WERCURAGRGAREV-MRXNPFEDSA-N 2 2 327.394 3.408 20 0 EGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703583 1378151302 /nfs/dbraw/zinc/15/13/02/1378151302.db2.gz WERCURAGRGAREV-MRXNPFEDSA-N 2 2 327.394 3.408 20 0 EGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC001275703583 1378151307 /nfs/dbraw/zinc/15/13/07/1378151307.db2.gz WERCURAGRGAREV-MRXNPFEDSA-N 2 2 327.394 3.408 20 0 EGADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1N ZINC001140897679 1378174835 /nfs/dbraw/zinc/17/48/35/1378174835.db2.gz MDVCFTIZTFDTMT-UHFFFAOYSA-N 2 2 329.488 3.118 20 0 EGADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1N ZINC001140897679 1378174839 /nfs/dbraw/zinc/17/48/39/1378174839.db2.gz MDVCFTIZTFDTMT-UHFFFAOYSA-N 2 2 329.488 3.118 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141025946 1378211855 /nfs/dbraw/zinc/21/18/55/1378211855.db2.gz WJTWJMNCJADHPZ-QGZVFWFLSA-N 2 2 335.407 3.297 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141025946 1378211861 /nfs/dbraw/zinc/21/18/61/1378211861.db2.gz WJTWJMNCJADHPZ-QGZVFWFLSA-N 2 2 335.407 3.297 20 0 EGADLP c1cn2ccc(CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2[nH+]1 ZINC001141049995 1378222097 /nfs/dbraw/zinc/22/20/97/1378222097.db2.gz WAKUSEQCYKKIKW-SFTDATJTSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2ccc(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2[nH+]1 ZINC001141049995 1378222102 /nfs/dbraw/zinc/22/21/02/1378222102.db2.gz WAKUSEQCYKKIKW-SFTDATJTSA-N 2 2 346.478 3.288 20 0 EGADLP CCCCc1[nH]c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c[nH+]1 ZINC001141072019 1378230358 /nfs/dbraw/zinc/23/03/58/1378230358.db2.gz LPUDHSUMWDKCSY-KDURUIRLSA-N 2 2 338.499 3.316 20 0 EGADLP CCCCc1[nH]c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c[nH+]1 ZINC001141072019 1378230362 /nfs/dbraw/zinc/23/03/62/1378230362.db2.gz LPUDHSUMWDKCSY-KDURUIRLSA-N 2 2 338.499 3.316 20 0 EGADLP C[N@H+](Cc1c(-c2ccccc2)nc2n1CCS2)C1CC[NH+](C)CC1 ZINC001141298342 1378294315 /nfs/dbraw/zinc/29/43/15/1378294315.db2.gz OPBDMUBADRKDAE-UHFFFAOYSA-N 2 2 342.512 3.182 20 0 EGADLP C[N@@H+](Cc1c(-c2ccccc2)nc2n1CCS2)C1CC[NH+](C)CC1 ZINC001141298342 1378294317 /nfs/dbraw/zinc/29/43/17/1378294317.db2.gz OPBDMUBADRKDAE-UHFFFAOYSA-N 2 2 342.512 3.182 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC001141497597 1378335277 /nfs/dbraw/zinc/33/52/77/1378335277.db2.gz WWQILFNONQAVBR-GOSISDBHSA-N 2 2 349.906 3.030 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770584 1378372671 /nfs/dbraw/zinc/37/26/71/1378372671.db2.gz SSLAYXCDOLJKNP-ZWKOTPCHSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770584 1378372673 /nfs/dbraw/zinc/37/26/73/1378372673.db2.gz SSLAYXCDOLJKNP-ZWKOTPCHSA-N 2 2 348.535 3.006 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001142204976 1378420126 /nfs/dbraw/zinc/42/01/26/1378420126.db2.gz RHOHGJZHWKZYNH-YLJYHZDGSA-N 2 2 330.472 3.025 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C2 ZINC001142204976 1378420127 /nfs/dbraw/zinc/42/01/27/1378420127.db2.gz RHOHGJZHWKZYNH-YLJYHZDGSA-N 2 2 330.472 3.025 20 0 EGADLP O=C(c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550772 1388558694 /nfs/dbraw/zinc/55/86/94/1388558694.db2.gz KBDKNLRXJKMGJS-PMACEKPBSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550772 1388558695 /nfs/dbraw/zinc/55/86/95/1388558695.db2.gz KBDKNLRXJKMGJS-PMACEKPBSA-N 2 2 341.499 3.029 20 0 EGADLP COc1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC001144469982 1378734879 /nfs/dbraw/zinc/73/48/79/1378734879.db2.gz XCODTTKWUYXPEY-KRWDZBQOSA-N 2 2 343.446 3.183 20 0 EGADLP COc1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC001144469982 1378734881 /nfs/dbraw/zinc/73/48/81/1378734881.db2.gz XCODTTKWUYXPEY-KRWDZBQOSA-N 2 2 343.446 3.183 20 0 EGADLP COc1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001144469982 1378734883 /nfs/dbraw/zinc/73/48/83/1378734883.db2.gz XCODTTKWUYXPEY-KRWDZBQOSA-N 2 2 343.446 3.183 20 0 EGADLP COc1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001144469982 1378734884 /nfs/dbraw/zinc/73/48/84/1378734884.db2.gz XCODTTKWUYXPEY-KRWDZBQOSA-N 2 2 343.446 3.183 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001283679815 1379109104 /nfs/dbraw/zinc/10/91/04/1379109104.db2.gz MKKKTPIMKMCLEJ-DYVFJYSZSA-N 2 2 348.878 3.193 20 0 EGADLP O=C(c1c[nH]c2cc[nH+]cc12)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001152971394 1380001021 /nfs/dbraw/zinc/00/10/21/1380001021.db2.gz KHUZHUBVSOWOJL-UHFFFAOYSA-N 2 2 338.455 3.044 20 0 EGADLP O=C(c1c[nH]c2cc[nH+]cc12)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001152971394 1380001024 /nfs/dbraw/zinc/00/10/24/1380001024.db2.gz KHUZHUBVSOWOJL-UHFFFAOYSA-N 2 2 338.455 3.044 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CCCn2cc[nH+]c2)cc1 ZINC001153344460 1380060087 /nfs/dbraw/zinc/06/00/87/1380060087.db2.gz FHTNKHMOKFESAC-QGZVFWFLSA-N 2 2 342.487 3.254 20 0 EGADLP CC[N@H+](C[C@@H]1CCCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403187 1380270701 /nfs/dbraw/zinc/27/07/01/1380270701.db2.gz FPWCRVAPBLRQOD-AEFFLSMTSA-N 2 2 347.503 3.016 20 0 EGADLP CC[N@@H+](C[C@@H]1CCCCO1)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403187 1380270702 /nfs/dbraw/zinc/27/07/02/1380270702.db2.gz FPWCRVAPBLRQOD-AEFFLSMTSA-N 2 2 347.503 3.016 20 0 EGADLP Cc1cc(Cl)ncc1C(F)(F)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155057389 1380399782 /nfs/dbraw/zinc/39/97/82/1380399782.db2.gz GJFBHDPPBCXUOC-UHFFFAOYSA-N 2 2 326.778 3.305 20 0 EGADLP CCCN(CCC)c1cc(NCc2ccc3c(c2)CC[NH2+]C3)[nH+]cn1 ZINC001155267928 1380431107 /nfs/dbraw/zinc/43/11/07/1380431107.db2.gz HBYJKFMHCIKFGR-UHFFFAOYSA-N 2 2 339.487 3.361 20 0 EGADLP CCCN(CCC)c1cc(NCc2ccc3c(c2)CC[NH2+]C3)nc[nH+]1 ZINC001155267928 1380431108 /nfs/dbraw/zinc/43/11/08/1380431108.db2.gz HBYJKFMHCIKFGR-UHFFFAOYSA-N 2 2 339.487 3.361 20 0 EGADLP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155460617 1380456298 /nfs/dbraw/zinc/45/62/98/1380456298.db2.gz QBWZBVJAJYXIAK-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155460617 1380456299 /nfs/dbraw/zinc/45/62/99/1380456299.db2.gz QBWZBVJAJYXIAK-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC[N@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155471292 1380457101 /nfs/dbraw/zinc/45/71/01/1380457101.db2.gz VFTKYXHRCSECIY-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC[N@@H+](Cc1ccccc1C(C)C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155471292 1380457102 /nfs/dbraw/zinc/45/71/02/1380457102.db2.gz VFTKYXHRCSECIY-MRXNPFEDSA-N 2 2 342.487 3.102 20 0 EGADLP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520718 1380463600 /nfs/dbraw/zinc/46/36/00/1380463600.db2.gz AKCIWDZRSNOZJU-DLBZAZTESA-N 2 2 346.519 3.241 20 0 EGADLP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520718 1380463601 /nfs/dbraw/zinc/46/36/01/1380463601.db2.gz AKCIWDZRSNOZJU-DLBZAZTESA-N 2 2 346.519 3.241 20 0 EGADLP CC[N@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521106 1380464004 /nfs/dbraw/zinc/46/40/04/1380464004.db2.gz FGGCUTHNCXHTKN-JKSUJKDBSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@@H+](CC1CC(C)(C)C1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521106 1380464006 /nfs/dbraw/zinc/46/40/06/1380464006.db2.gz FGGCUTHNCXHTKN-JKSUJKDBSA-N 2 2 334.508 3.097 20 0 EGADLP CC[N@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248380 1380824025 /nfs/dbraw/zinc/82/40/25/1380824025.db2.gz NVZRQXFRABIKHJ-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP CC[N@@H+](CC1CC2(CCC2)C1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248380 1380824029 /nfs/dbraw/zinc/82/40/29/1380824029.db2.gz NVZRQXFRABIKHJ-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880678 1381058258 /nfs/dbraw/zinc/05/82/58/1381058258.db2.gz OJSAAWMQYUPJCE-QGZVFWFLSA-N 2 2 334.508 3.236 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157880678 1381058264 /nfs/dbraw/zinc/05/82/64/1381058264.db2.gz OJSAAWMQYUPJCE-QGZVFWFLSA-N 2 2 334.508 3.236 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571482 1381304467 /nfs/dbraw/zinc/30/44/67/1381304467.db2.gz LJLROSUXZGGMFF-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571482 1381304477 /nfs/dbraw/zinc/30/44/77/1381304477.db2.gz LJLROSUXZGGMFF-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571482 1381304487 /nfs/dbraw/zinc/30/44/87/1381304487.db2.gz LJLROSUXZGGMFF-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571482 1381304497 /nfs/dbraw/zinc/30/44/97/1381304497.db2.gz LJLROSUXZGGMFF-PKOBYXMFSA-N 2 2 348.535 3.337 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571569 1381304891 /nfs/dbraw/zinc/30/48/91/1381304891.db2.gz QCELHDXLUSJAJL-VQIMIIECSA-N 2 2 348.535 3.337 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001158571569 1381304893 /nfs/dbraw/zinc/30/48/93/1381304893.db2.gz QCELHDXLUSJAJL-VQIMIIECSA-N 2 2 348.535 3.337 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571569 1381304900 /nfs/dbraw/zinc/30/49/00/1381304900.db2.gz QCELHDXLUSJAJL-VQIMIIECSA-N 2 2 348.535 3.337 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001158571569 1381304907 /nfs/dbraw/zinc/30/49/07/1381304907.db2.gz QCELHDXLUSJAJL-VQIMIIECSA-N 2 2 348.535 3.337 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806366 1381408574 /nfs/dbraw/zinc/40/85/74/1381408574.db2.gz HYDHOZYHOJBVEC-SFFCAUCYSA-N 2 2 346.519 3.022 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806366 1381408579 /nfs/dbraw/zinc/40/85/79/1381408579.db2.gz HYDHOZYHOJBVEC-SFFCAUCYSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401111 1388737492 /nfs/dbraw/zinc/73/74/92/1388737492.db2.gz RSYPDRUNZZLNGS-NXEZZACHSA-N 2 2 336.329 3.059 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001328401111 1388737495 /nfs/dbraw/zinc/73/74/95/1388737495.db2.gz RSYPDRUNZZLNGS-NXEZZACHSA-N 2 2 336.329 3.059 20 0 EGADLP COc1ccc2[nH+]ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)c2n1 ZINC001159289910 1381753693 /nfs/dbraw/zinc/75/36/93/1381753693.db2.gz JQQLKDGIAZGSAZ-UHFFFAOYSA-N 2 2 334.423 3.271 20 0 EGADLP c1ccc([C@@H]2[C@H](Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)[C@@H]3CC[C@H]2C3)cc1 ZINC001160508046 1382126374 /nfs/dbraw/zinc/12/63/74/1382126374.db2.gz CCXWIEBNLFPDKG-GKJHBJHPSA-N 2 2 348.494 3.485 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001160528594 1382132050 /nfs/dbraw/zinc/13/20/50/1382132050.db2.gz RNSCTSCBIGQUKG-MSOLQXFVSA-N 2 2 336.524 3.248 20 0 EGADLP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc(N2CCCCC2)[nH+]cn1 ZINC001160664362 1382165006 /nfs/dbraw/zinc/16/50/06/1382165006.db2.gz DQOSQFUNHTXJGS-KRWDZBQOSA-N 2 2 339.487 3.068 20 0 EGADLP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc(N2CCCCC2)nc[nH+]1 ZINC001160664362 1382165009 /nfs/dbraw/zinc/16/50/09/1382165009.db2.gz DQOSQFUNHTXJGS-KRWDZBQOSA-N 2 2 339.487 3.068 20 0 EGADLP CC[C@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356198 1382380629 /nfs/dbraw/zinc/38/06/29/1382380629.db2.gz FPMDFPWJYZREDP-DLBZAZTESA-N 2 2 332.492 3.019 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356198 1382380634 /nfs/dbraw/zinc/38/06/34/1382380634.db2.gz FPMDFPWJYZREDP-DLBZAZTESA-N 2 2 332.492 3.019 20 0 EGADLP Cc1cc(NC2(Cc3ccccn3)CC[NH2+]CC2)nc(C(C)(C)C)[nH+]1 ZINC001161496462 1382422753 /nfs/dbraw/zinc/42/27/53/1382422753.db2.gz PCGJJVXWMNOVLQ-UHFFFAOYSA-N 2 2 339.487 3.254 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001161553961 1382438704 /nfs/dbraw/zinc/43/87/04/1382438704.db2.gz KYXSAXOCPBTMTJ-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CCC2CCCCC2)CC1 ZINC001161553961 1382438706 /nfs/dbraw/zinc/43/87/06/1382438706.db2.gz KYXSAXOCPBTMTJ-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CC[N@H+]1CC=C(c2cnc(NCCCn3cc[nH+]c3)c(C)c2)CC1 ZINC001161681781 1382479232 /nfs/dbraw/zinc/47/92/32/1382479232.db2.gz AMIOPQRYMGKVIQ-UHFFFAOYSA-N 2 2 325.460 3.198 20 0 EGADLP CC[N@@H+]1CC=C(c2cnc(NCCCn3cc[nH+]c3)c(C)c2)CC1 ZINC001161681781 1382479235 /nfs/dbraw/zinc/47/92/35/1382479235.db2.gz AMIOPQRYMGKVIQ-UHFFFAOYSA-N 2 2 325.460 3.198 20 0 EGADLP Cc1nc(NCC2(c3cccnc3)CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC001162033464 1382609127 /nfs/dbraw/zinc/60/91/27/1382609127.db2.gz ZRLFXCRRUPGBPZ-UHFFFAOYSA-N 2 2 325.460 3.037 20 0 EGADLP Fc1ccc2c[nH+]c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cc2c1 ZINC001162958896 1382928099 /nfs/dbraw/zinc/92/80/99/1382928099.db2.gz UQPHTZBDOKKMBX-KRWDZBQOSA-N 2 2 329.419 3.335 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC001328716265 1388822112 /nfs/dbraw/zinc/82/21/12/1388822112.db2.gz HEEPIWMDLZVIDZ-YSHGAJCASA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)[C@@H](n2cncn2)C1 ZINC001328716265 1388822120 /nfs/dbraw/zinc/82/21/20/1388822120.db2.gz HEEPIWMDLZVIDZ-YSHGAJCASA-N 2 2 331.508 3.004 20 0 EGADLP COc1ccc2c(cc[nH+]c2N2CCC[N@H+](Cc3ccncc3)CC2)c1 ZINC001163827335 1383126007 /nfs/dbraw/zinc/12/60/07/1383126007.db2.gz PUKQUPHFKBQFRR-UHFFFAOYSA-N 2 2 348.450 3.351 20 0 EGADLP COc1ccc2c(cc[nH+]c2N2CCC[N@@H+](Cc3ccncc3)CC2)c1 ZINC001163827335 1383126009 /nfs/dbraw/zinc/12/60/09/1383126009.db2.gz PUKQUPHFKBQFRR-UHFFFAOYSA-N 2 2 348.450 3.351 20 0 EGADLP Cc1nc2ccc(Cl)cc2c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164206861 1383165997 /nfs/dbraw/zinc/16/59/97/1383165997.db2.gz HZWLARVBMHECDV-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP COc1cc[nH+]c(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001165184333 1383243857 /nfs/dbraw/zinc/24/38/57/1383243857.db2.gz WNPZPUGVQOPMTE-APWZRJJASA-N 2 2 325.456 3.437 20 0 EGADLP COc1cc[nH+]c(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001165184333 1383243858 /nfs/dbraw/zinc/24/38/58/1383243858.db2.gz WNPZPUGVQOPMTE-APWZRJJASA-N 2 2 325.456 3.437 20 0 EGADLP C[N@@H+]1CCC[C@H](CC[NH2+]c2ccc3c(c2)C2(CN3)CCOCC2)C1 ZINC001165279566 1383264578 /nfs/dbraw/zinc/26/45/78/1383264578.db2.gz WCOZOHUKNRRHDQ-MRXNPFEDSA-N 2 2 329.488 3.304 20 0 EGADLP C[N@H+]1CCC[C@H](CC[NH2+]c2ccc3c(c2)C2(CN3)CCOCC2)C1 ZINC001165279566 1383264580 /nfs/dbraw/zinc/26/45/80/1383264580.db2.gz WCOZOHUKNRRHDQ-MRXNPFEDSA-N 2 2 329.488 3.304 20 0 EGADLP Cc1[nH]c2ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)cc2[nH+]1 ZINC001165383733 1383282862 /nfs/dbraw/zinc/28/28/62/1383282862.db2.gz CYKJXWCNASLQPM-UHFFFAOYSA-N 2 2 336.439 3.316 20 0 EGADLP COc1ccc2[nH+]c(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)cc(C)c2c1 ZINC001165430981 1383295245 /nfs/dbraw/zinc/29/52/45/1383295245.db2.gz OVKOTIHKHRUYTF-CZUORRHYSA-N 2 2 329.419 3.065 20 0 EGADLP Cc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cc(C2CCCCC2)[nH+]1 ZINC001165433588 1383295681 /nfs/dbraw/zinc/29/56/81/1383295681.db2.gz OMZHFIKIZDJJSD-CVEARBPZSA-N 2 2 332.467 3.346 20 0 EGADLP c1cn(Cc2ccc(NCC3C[NH+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC001165453780 1383298016 /nfs/dbraw/zinc/29/80/16/1383298016.db2.gz IPOVMLDOMTUVST-UHFFFAOYSA-N 2 2 332.451 3.475 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)n1cc[nH+]c1 ZINC001167428985 1383632047 /nfs/dbraw/zinc/63/20/47/1383632047.db2.gz OBXTZYDPQQJLJA-QFBILLFUSA-N 2 2 340.471 3.008 20 0 EGADLP Nc1cc(CNc2nccc3c2CC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC001167613384 1383689988 /nfs/dbraw/zinc/68/99/88/1383689988.db2.gz JZAOAEGBGSNQKJ-UHFFFAOYSA-N 2 2 345.450 3.229 20 0 EGADLP Nc1cc(CNc2nccc3c2CC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC001167613384 1383689989 /nfs/dbraw/zinc/68/99/89/1383689989.db2.gz JZAOAEGBGSNQKJ-UHFFFAOYSA-N 2 2 345.450 3.229 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001167825250 1383750168 /nfs/dbraw/zinc/75/01/68/1383750168.db2.gz IOSAMMGXEZECFB-CYBMUJFWSA-N 2 2 332.414 3.228 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001167825250 1383750169 /nfs/dbraw/zinc/75/01/69/1383750169.db2.gz IOSAMMGXEZECFB-CYBMUJFWSA-N 2 2 332.414 3.228 20 0 EGADLP Brc1ccc2c(C3C[NH+]([C@H]4C[C@H]5C[C@H]5C4)C3)[nH+]cn2c1 ZINC001167952436 1383777793 /nfs/dbraw/zinc/77/77/93/1383777793.db2.gz OUEBHUXJTONJFO-YABSGUDNSA-N 2 2 332.245 3.295 20 0 EGADLP C[C@H]1CC([N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040041 1383803506 /nfs/dbraw/zinc/80/35/06/1383803506.db2.gz JYMDBWRGRLDVNP-CPLUKWAASA-N 2 2 334.479 3.223 20 0 EGADLP C[C@H]1CC([N@H+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040041 1383803514 /nfs/dbraw/zinc/80/35/14/1383803514.db2.gz JYMDBWRGRLDVNP-CPLUKWAASA-N 2 2 334.479 3.223 20 0 EGADLP C[C@@H]1CC([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059879 1383806387 /nfs/dbraw/zinc/80/63/87/1383806387.db2.gz VSCZCWBTKOGFTG-KNKQGSTJSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1CC([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059879 1383806390 /nfs/dbraw/zinc/80/63/90/1383806390.db2.gz VSCZCWBTKOGFTG-KNKQGSTJSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1CC([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059879 1383806393 /nfs/dbraw/zinc/80/63/93/1383806393.db2.gz VSCZCWBTKOGFTG-KNKQGSTJSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1CC([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059879 1383806395 /nfs/dbraw/zinc/80/63/95/1383806395.db2.gz VSCZCWBTKOGFTG-KNKQGSTJSA-N 3 2 341.543 3.456 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066587 1383809126 /nfs/dbraw/zinc/80/91/26/1383809126.db2.gz QERUWKBJZZFEPW-NSFFCOSOSA-N 3 2 341.543 3.312 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066587 1383809129 /nfs/dbraw/zinc/80/91/29/1383809129.db2.gz QERUWKBJZZFEPW-NSFFCOSOSA-N 3 2 341.543 3.312 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066587 1383809134 /nfs/dbraw/zinc/80/91/34/1383809134.db2.gz QERUWKBJZZFEPW-NSFFCOSOSA-N 3 2 341.543 3.312 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001168066587 1383809136 /nfs/dbraw/zinc/80/91/36/1383809136.db2.gz QERUWKBJZZFEPW-NSFFCOSOSA-N 3 2 341.543 3.312 20 0 EGADLP COc1ccc2c(c1)C[C@@H](N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168258255 1383855314 /nfs/dbraw/zinc/85/53/14/1383855314.db2.gz ZNXJKZISQYOMOS-FHWLQOOXSA-N 2 2 337.467 3.334 20 0 EGADLP CCc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001307319371 1383971378 /nfs/dbraw/zinc/97/13/78/1383971378.db2.gz FTBBWTDMVFNRIW-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734502 1383985134 /nfs/dbraw/zinc/98/51/34/1383985134.db2.gz IEQFNLMMDURQRO-MSOLQXFVSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734502 1383985137 /nfs/dbraw/zinc/98/51/37/1383985137.db2.gz IEQFNLMMDURQRO-MSOLQXFVSA-N 2 2 348.918 3.382 20 0 EGADLP Clc1cccc2c1C[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168744489 1383988626 /nfs/dbraw/zinc/98/86/26/1383988626.db2.gz QKWXPFWKBWVJTF-INIZCTEOSA-N 2 2 327.859 3.461 20 0 EGADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828522 1384022769 /nfs/dbraw/zinc/02/27/69/1384022769.db2.gz HPXZCOYNXVFLHK-OWCLPIDISA-N 2 2 339.524 3.237 20 0 EGADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC001168828522 1384022772 /nfs/dbraw/zinc/02/27/72/1384022772.db2.gz HPXZCOYNXVFLHK-OWCLPIDISA-N 2 2 339.524 3.237 20 0 EGADLP CC(C)[N@H+]([C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878256 1384043664 /nfs/dbraw/zinc/04/36/64/1384043664.db2.gz BJXZYHJOMUMSEB-DOTOQJQBSA-N 2 2 339.524 3.189 20 0 EGADLP CC(C)[N@@H+]([C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001168878256 1384043669 /nfs/dbraw/zinc/04/36/69/1384043669.db2.gz BJXZYHJOMUMSEB-DOTOQJQBSA-N 2 2 339.524 3.189 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001308001805 1384072029 /nfs/dbraw/zinc/07/20/29/1384072029.db2.gz HQWSLWQHSYEBMS-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1)C1CC1 ZINC001308001805 1384072034 /nfs/dbraw/zinc/07/20/34/1384072034.db2.gz HQWSLWQHSYEBMS-LJQANCHMSA-N 2 2 349.563 3.220 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC001308179733 1384106173 /nfs/dbraw/zinc/10/61/73/1384106173.db2.gz FOOOMJSJCSQWHW-SFHVURJKSA-N 2 2 332.879 3.194 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101287 1384107266 /nfs/dbraw/zinc/10/72/66/1384107266.db2.gz QQKCJBYLFMADDJ-FZKCQIBNSA-N 2 2 329.271 3.242 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1)C2 ZINC001169101287 1384107268 /nfs/dbraw/zinc/10/72/68/1384107268.db2.gz QQKCJBYLFMADDJ-FZKCQIBNSA-N 2 2 329.271 3.242 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131402 1384111166 /nfs/dbraw/zinc/11/11/66/1384111166.db2.gz UEMFTZUSMWDANJ-NXMWLWCLSA-N 2 2 348.531 3.050 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131402 1384111168 /nfs/dbraw/zinc/11/11/68/1384111168.db2.gz UEMFTZUSMWDANJ-NXMWLWCLSA-N 2 2 348.531 3.050 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131402 1384111170 /nfs/dbraw/zinc/11/11/70/1384111170.db2.gz UEMFTZUSMWDANJ-NXMWLWCLSA-N 2 2 348.531 3.050 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]31)C2 ZINC001169131402 1384111172 /nfs/dbraw/zinc/11/11/72/1384111172.db2.gz UEMFTZUSMWDANJ-NXMWLWCLSA-N 2 2 348.531 3.050 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3nc4ccccc4s3)CC1)C2 ZINC001169140396 1384112483 /nfs/dbraw/zinc/11/24/83/1384112483.db2.gz JSEAKNPFFRCJTK-MUJYYYPQSA-N 2 2 342.512 3.044 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(c3nc4ccccc4s3)CC1)C2 ZINC001169140396 1384112485 /nfs/dbraw/zinc/11/24/85/1384112485.db2.gz JSEAKNPFFRCJTK-MUJYYYPQSA-N 2 2 342.512 3.044 20 0 EGADLP CC1(c2cc[nH+]c(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)c2)OCCO1 ZINC001169140790 1384113038 /nfs/dbraw/zinc/11/30/38/1384113038.db2.gz HULRBASPGQFHMD-YJBOKZPZSA-N 2 2 333.476 3.257 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(Cc3ccccc3Cl)CC1)C2 ZINC001169141365 1384113065 /nfs/dbraw/zinc/11/30/65/1384113065.db2.gz QEBJWDWLQPOYNL-BCDXTJNWSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(Cc3ccccc3Cl)CC1)C2 ZINC001169141365 1384113067 /nfs/dbraw/zinc/11/30/67/1384113067.db2.gz QEBJWDWLQPOYNL-BCDXTJNWSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](Cc3ccccc3Cl)CC1)C2 ZINC001169141365 1384113068 /nfs/dbraw/zinc/11/30/68/1384113068.db2.gz QEBJWDWLQPOYNL-BCDXTJNWSA-N 2 2 333.907 3.083 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[NH+](Cc3ccccc3Cl)CC1)C2 ZINC001169141365 1384113070 /nfs/dbraw/zinc/11/30/70/1384113070.db2.gz QEBJWDWLQPOYNL-BCDXTJNWSA-N 2 2 333.907 3.083 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc4c3CCC4)[nH+]c2)C1 ZINC001308337993 1384120198 /nfs/dbraw/zinc/12/01/98/1384120198.db2.gz QXBALQKEGRXBDQ-LJQANCHMSA-N 2 2 336.483 3.323 20 0 EGADLP CC(C)c1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC001308365943 1384122434 /nfs/dbraw/zinc/12/24/34/1384122434.db2.gz IWYLSPHUXFXBRZ-QGZVFWFLSA-N 2 2 345.512 3.123 20 0 EGADLP CC(C)c1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC001308365943 1384122436 /nfs/dbraw/zinc/12/24/36/1384122436.db2.gz IWYLSPHUXFXBRZ-QGZVFWFLSA-N 2 2 345.512 3.123 20 0 EGADLP CC[NH+](CC)c1ccc(C)c(NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001169244942 1384126879 /nfs/dbraw/zinc/12/68/79/1384126879.db2.gz LLXPYYZUXOXLQK-UHFFFAOYSA-N 2 2 327.476 3.143 20 0 EGADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787108 1384186236 /nfs/dbraw/zinc/18/62/36/1384186236.db2.gz CRSBFCPFVDMKEP-FQEVSTJZSA-N 2 2 343.515 3.096 20 0 EGADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787108 1384186237 /nfs/dbraw/zinc/18/62/37/1384186237.db2.gz CRSBFCPFVDMKEP-FQEVSTJZSA-N 2 2 343.515 3.096 20 0 EGADLP CC1(C)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)N1O ZINC001169975160 1384208339 /nfs/dbraw/zinc/20/83/39/1384208339.db2.gz SAWKQVGMXOPGQG-UHFFFAOYSA-N 2 2 328.460 3.373 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482332 1384327274 /nfs/dbraw/zinc/32/72/74/1384327274.db2.gz CHOJFBJZFYUGNV-MRXNPFEDSA-N 2 2 346.519 3.187 20 0 EGADLP CC1(C)[C@@H]2C[C@H]([N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754177 1384380367 /nfs/dbraw/zinc/38/03/67/1384380367.db2.gz UCTBPIQCDNWTPZ-UJMXGEILSA-N 2 2 325.500 3.270 20 0 EGADLP CC1(C)[C@@H]2C[C@H]([N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754177 1384380369 /nfs/dbraw/zinc/38/03/69/1384380369.db2.gz UCTBPIQCDNWTPZ-UJMXGEILSA-N 2 2 325.500 3.270 20 0 EGADLP CC1(C)[C@@H]2C[C@H]([NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754177 1384380372 /nfs/dbraw/zinc/38/03/72/1384380372.db2.gz UCTBPIQCDNWTPZ-UJMXGEILSA-N 2 2 325.500 3.270 20 0 EGADLP CC1(C)[C@@H]2C[C@H]([NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)C[C@@H]21 ZINC001170754177 1384380376 /nfs/dbraw/zinc/38/03/76/1384380376.db2.gz UCTBPIQCDNWTPZ-UJMXGEILSA-N 2 2 325.500 3.270 20 0 EGADLP Fc1cccc2c1CC[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC001171405407 1384513954 /nfs/dbraw/zinc/51/39/54/1384513954.db2.gz UMVBFTWJWSRDLO-KRWDZBQOSA-N 2 2 325.431 3.337 20 0 EGADLP CC[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171528352 1384552689 /nfs/dbraw/zinc/55/26/89/1384552689.db2.gz SDVNHDTYTFTSJJ-GJZGRUSLSA-N 2 2 330.476 3.487 20 0 EGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@H](COc3ccccc3)C2)CC1(C)C ZINC001171643430 1384590374 /nfs/dbraw/zinc/59/03/74/1384590374.db2.gz SQPFJUWBSXJVIV-IBGZPJMESA-N 2 2 346.515 3.418 20 0 EGADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@H](COc3ccccc3)C2)CC1(C)C ZINC001171643430 1384590376 /nfs/dbraw/zinc/59/03/76/1384590376.db2.gz SQPFJUWBSXJVIV-IBGZPJMESA-N 2 2 346.515 3.418 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001171896338 1384673387 /nfs/dbraw/zinc/67/33/87/1384673387.db2.gz MOCYFIWYHVPTED-QGZVFWFLSA-N 2 2 336.524 3.198 20 0 EGADLP CC(C)[NH+]1CC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064792 1384716628 /nfs/dbraw/zinc/71/66/28/1384716628.db2.gz JRMZYBZOSBCAOZ-ZKTXZKFHSA-N 2 2 327.516 3.254 20 0 EGADLP CC(C)[NH+]1CC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064792 1384716633 /nfs/dbraw/zinc/71/66/33/1384716633.db2.gz JRMZYBZOSBCAOZ-ZKTXZKFHSA-N 2 2 327.516 3.254 20 0 EGADLP CC(C)N1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064792 1384716635 /nfs/dbraw/zinc/71/66/35/1384716635.db2.gz JRMZYBZOSBCAOZ-ZKTXZKFHSA-N 2 2 327.516 3.254 20 0 EGADLP CC(C)N1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064792 1384716641 /nfs/dbraw/zinc/71/66/41/1384716641.db2.gz JRMZYBZOSBCAOZ-ZKTXZKFHSA-N 2 2 327.516 3.254 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172084119 1384722420 /nfs/dbraw/zinc/72/24/20/1384722420.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 2 339.527 3.210 20 0 EGADLP C[NH+]1CC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172084119 1384722423 /nfs/dbraw/zinc/72/24/23/1384722423.db2.gz USGKNAPDJQGCKW-AERCQKQUSA-N 2 2 339.527 3.210 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110979 1384730304 /nfs/dbraw/zinc/73/03/04/1384730304.db2.gz NERSSGKDOOZXTR-PMOLBWCYSA-N 3 2 327.516 3.038 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC([NH3+])(Cc3ccccc3)CC1)C2 ZINC001172110979 1384730307 /nfs/dbraw/zinc/73/03/07/1384730307.db2.gz NERSSGKDOOZXTR-PMOLBWCYSA-N 3 2 327.516 3.038 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116019 1384730695 /nfs/dbraw/zinc/73/06/95/1384730695.db2.gz CUDYMZUHIVJSKW-DQCOHUIHSA-N 3 2 345.556 3.127 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116019 1384730700 /nfs/dbraw/zinc/73/07/00/1384730700.db2.gz CUDYMZUHIVJSKW-DQCOHUIHSA-N 3 2 345.556 3.127 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116019 1384730706 /nfs/dbraw/zinc/73/07/06/1384730706.db2.gz CUDYMZUHIVJSKW-DQCOHUIHSA-N 3 2 345.556 3.127 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)C2 ZINC001172116019 1384730708 /nfs/dbraw/zinc/73/07/08/1384730708.db2.gz CUDYMZUHIVJSKW-DQCOHUIHSA-N 3 2 345.556 3.127 20 0 EGADLP CC(C)OCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172435263 1384791209 /nfs/dbraw/zinc/79/12/09/1384791209.db2.gz DSOHONUJKHKCGV-IUODEOHRSA-N 2 2 329.282 3.242 20 0 EGADLP CC(C)OCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172435268 1384791321 /nfs/dbraw/zinc/79/13/21/1384791321.db2.gz DSOHONUJKHKCGV-WFASDCNBSA-N 2 2 329.282 3.242 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804013 1384855784 /nfs/dbraw/zinc/85/57/84/1384855784.db2.gz RRXBPUUJUUUWSU-SJLPKXTDSA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804013 1384855786 /nfs/dbraw/zinc/85/57/86/1384855786.db2.gz RRXBPUUJUUUWSU-SJLPKXTDSA-N 2 2 336.520 3.447 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(COC)cnc3[C@@H]2C)CC1 ZINC001173109516 1384916717 /nfs/dbraw/zinc/91/67/17/1384916717.db2.gz JCFFVAUMDDNMLW-GTPINHCMSA-N 2 2 334.508 3.059 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CCn3c(COC)cnc3[C@@H]2C)CC1 ZINC001173109516 1384916720 /nfs/dbraw/zinc/91/67/20/1384916720.db2.gz JCFFVAUMDDNMLW-GTPINHCMSA-N 2 2 334.508 3.059 20 0 EGADLP Cc1[nH+]c2c(n1C1CCC(Oc3ccccc3)CC1)CC[NH2+]CC2 ZINC001173201019 1384935159 /nfs/dbraw/zinc/93/51/59/1384935159.db2.gz BIYNBHVSRDNLEK-UHFFFAOYSA-N 2 2 325.456 3.442 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173674109 1385001000 /nfs/dbraw/zinc/00/10/00/1385001000.db2.gz ZLMOTONNKMCIGE-HZPDHXFCSA-N 2 2 341.540 3.484 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173674109 1385001006 /nfs/dbraw/zinc/00/10/06/1385001006.db2.gz ZLMOTONNKMCIGE-HZPDHXFCSA-N 2 2 341.540 3.484 20 0 EGADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673507 1385001470 /nfs/dbraw/zinc/00/14/70/1385001470.db2.gz NFBIXPRIQMDDBV-BZUAXINKSA-N 2 2 339.524 3.237 20 0 EGADLP Cc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001174579848 1385122057 /nfs/dbraw/zinc/12/20/57/1385122057.db2.gz CILFWCLYPVQETG-SFHVURJKSA-N 2 2 342.487 3.046 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462234 1385299474 /nfs/dbraw/zinc/29/94/74/1385299474.db2.gz SLUMAKKHYBMIFM-CQSZACIVSA-N 2 2 348.878 3.070 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175461291 1385299498 /nfs/dbraw/zinc/29/94/98/1385299498.db2.gz MNHXGCAAVHUPRE-AQFXKWCLSA-N 2 2 334.508 3.043 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175628655 1385356215 /nfs/dbraw/zinc/35/62/15/1385356215.db2.gz GONYEEZGRZMTRD-WBXGCANISA-N 2 2 334.508 3.209 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175628655 1385356219 /nfs/dbraw/zinc/35/62/19/1385356219.db2.gz GONYEEZGRZMTRD-WBXGCANISA-N 2 2 334.508 3.209 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873865 1385426998 /nfs/dbraw/zinc/42/69/98/1385426998.db2.gz NHOJNYUGWJZRRH-INIZCTEOSA-N 2 2 348.535 3.433 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCC1CCCCC1 ZINC001176350304 1385558842 /nfs/dbraw/zinc/55/88/42/1385558842.db2.gz AXMGBIZMEIWKKE-MRXNPFEDSA-N 2 2 348.535 3.496 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1C ZINC001176351011 1385559561 /nfs/dbraw/zinc/55/95/61/1385559561.db2.gz OKPGFQZVBJRCEX-MRXNPFEDSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176391435 1385574297 /nfs/dbraw/zinc/57/42/97/1385574297.db2.gz DKETZBAJCQTQNP-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176401877 1385577025 /nfs/dbraw/zinc/57/70/25/1385577025.db2.gz NRJQLVNCRQTFKM-KRWDZBQOSA-N 2 2 336.524 3.054 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402132 1385577459 /nfs/dbraw/zinc/57/74/59/1385577459.db2.gz QPAZBOKAIVCKFM-HPFMTEOYSA-N 2 2 348.535 3.364 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)n1cc[nH+]c1 ZINC001318006964 1385607179 /nfs/dbraw/zinc/60/71/79/1385607179.db2.gz BPACJKKIHKCUEI-INIZCTEOSA-N 2 2 326.444 3.111 20 0 EGADLP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(F)cc1 ZINC001698615960 1406248285 /nfs/dbraw/zinc/24/82/85/1406248285.db2.gz ILCJYANKBKSLMO-DLBZAZTESA-N 2 2 346.450 3.035 20 0 EGADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318592592 1385776788 /nfs/dbraw/zinc/77/67/88/1385776788.db2.gz HLXZVGXSUZBGLP-LRDDRELGSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)[nH+]1 ZINC001319389882 1386099442 /nfs/dbraw/zinc/09/94/42/1386099442.db2.gz PZKKPFGNLXDBPD-INIZCTEOSA-N 2 2 335.455 3.353 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)[nH+]1 ZINC001319389882 1386099443 /nfs/dbraw/zinc/09/94/43/1386099443.db2.gz PZKKPFGNLXDBPD-INIZCTEOSA-N 2 2 335.455 3.353 20 0 EGADLP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001319503136 1386150274 /nfs/dbraw/zinc/15/02/74/1386150274.db2.gz RCJPEQYFZVFVGW-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)[NH+]1CCN(c2cccc(NCc3cccc4[nH+]ccn43)c2)CC1 ZINC001178412074 1386210378 /nfs/dbraw/zinc/21/03/78/1386210378.db2.gz AEBRRFCODDZYSY-UHFFFAOYSA-N 2 2 349.482 3.477 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1OC ZINC001319711949 1386264502 /nfs/dbraw/zinc/26/45/02/1386264502.db2.gz METYRZBDHFTUQS-KRWDZBQOSA-N 2 2 341.455 3.484 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1OC ZINC001319711949 1386264505 /nfs/dbraw/zinc/26/45/05/1386264505.db2.gz METYRZBDHFTUQS-KRWDZBQOSA-N 2 2 341.455 3.484 20 0 EGADLP CC1(C)CCC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC001178778203 1386301456 /nfs/dbraw/zinc/30/14/56/1386301456.db2.gz JHIJUPQOKMSIRG-YLJYHZDGSA-N 2 2 330.516 3.212 20 0 EGADLP CC1(C)CCC[C@@H](C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC001178778203 1386301459 /nfs/dbraw/zinc/30/14/59/1386301459.db2.gz JHIJUPQOKMSIRG-YLJYHZDGSA-N 2 2 330.516 3.212 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009940 1386375291 /nfs/dbraw/zinc/37/52/91/1386375291.db2.gz ROSGLQZRUQWGLN-UHFFFAOYSA-N 2 2 328.460 3.180 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001320509104 1386632936 /nfs/dbraw/zinc/63/29/36/1386632936.db2.gz MALVPRSTYPBWMD-KRWDZBQOSA-N 2 2 341.455 3.484 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1OC ZINC001320509104 1386632938 /nfs/dbraw/zinc/63/29/38/1386632938.db2.gz MALVPRSTYPBWMD-KRWDZBQOSA-N 2 2 341.455 3.484 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001180064979 1386685425 /nfs/dbraw/zinc/68/54/25/1386685425.db2.gz CGRHQKWFIBAPIJ-UHFFFAOYSA-N 2 2 336.524 3.055 20 0 EGADLP C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392879 1386783340 /nfs/dbraw/zinc/78/33/40/1386783340.db2.gz JEGSHWFOUZWZII-UYAOXDASSA-N 2 2 346.515 3.408 20 0 EGADLP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001180392879 1386783342 /nfs/dbraw/zinc/78/33/42/1386783342.db2.gz JEGSHWFOUZWZII-UYAOXDASSA-N 2 2 346.515 3.408 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)c1 ZINC001180470514 1386806891 /nfs/dbraw/zinc/80/68/91/1386806891.db2.gz OHNJCBAZQBMAKC-SFHVURJKSA-N 2 2 342.487 3.219 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c(C)o1 ZINC001321282512 1386865584 /nfs/dbraw/zinc/86/55/84/1386865584.db2.gz JXVKNLUFCLICSH-QGZVFWFLSA-N 2 2 341.499 3.495 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc2c1OC(F)(F)O2 ZINC001181506863 1387007056 /nfs/dbraw/zinc/00/70/56/1387007056.db2.gz WAEXJPATCLIOTM-UHFFFAOYSA-N 2 2 326.387 3.316 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc2c1OC(F)(F)O2 ZINC001181506863 1387007067 /nfs/dbraw/zinc/00/70/67/1387007067.db2.gz WAEXJPATCLIOTM-UHFFFAOYSA-N 2 2 326.387 3.316 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CNc1c(C)cccc1C ZINC001322072333 1387045524 /nfs/dbraw/zinc/04/55/24/1387045524.db2.gz SWAPLXIGDIFDHH-UHFFFAOYSA-N 2 2 335.411 3.243 20 0 EGADLP CCCCC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181904039 1387073378 /nfs/dbraw/zinc/07/33/78/1387073378.db2.gz PJIIKSBBSVLCRX-FOIQADDNSA-N 2 2 342.487 3.441 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182863168 1387236037 /nfs/dbraw/zinc/23/60/37/1387236037.db2.gz FVPGCPYXAOSUHX-MBOZVWFJSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182863168 1387236044 /nfs/dbraw/zinc/23/60/44/1387236044.db2.gz FVPGCPYXAOSUHX-MBOZVWFJSA-N 2 2 348.535 3.243 20 0 EGADLP CCCCn1ncc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)c1C ZINC001322782298 1387237441 /nfs/dbraw/zinc/23/74/41/1387237441.db2.gz XDTPCYVVGSEAKF-UHFFFAOYSA-N 2 2 338.415 3.133 20 0 EGADLP O=C(CCCC[NH+]1CCCC1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001336056387 1389002505 /nfs/dbraw/zinc/00/25/05/1389002505.db2.gz VWQNJFWEHRTSIG-SFHVURJKSA-N 2 2 349.906 3.079 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC001339064066 1389882560 /nfs/dbraw/zinc/88/25/60/1389882560.db2.gz VBTGMANMZPKZQV-AWEZNQCLSA-N 2 2 336.395 3.290 20 0 EGADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001332507299 1390129391 /nfs/dbraw/zinc/12/93/91/1390129391.db2.gz NFHMJTDSNCAXEW-DNVCBOLYSA-N 2 2 338.455 3.095 20 0 EGADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001332507299 1390129398 /nfs/dbraw/zinc/12/93/98/1390129398.db2.gz NFHMJTDSNCAXEW-DNVCBOLYSA-N 2 2 338.455 3.095 20 0 EGADLP COCCOc1ccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333681283 1390373723 /nfs/dbraw/zinc/37/37/23/1390373723.db2.gz MEYWRJYUBBTKPN-INIZCTEOSA-N 2 2 345.443 3.085 20 0 EGADLP COCCOc1ccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)o1 ZINC001333681283 1390373725 /nfs/dbraw/zinc/37/37/25/1390373725.db2.gz MEYWRJYUBBTKPN-INIZCTEOSA-N 2 2 345.443 3.085 20 0 EGADLP C[C@@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC001335395249 1390679395 /nfs/dbraw/zinc/67/93/95/1390679395.db2.gz RWVYEVYXOIIGES-NHYWBVRUSA-N 2 2 328.243 3.149 20 0 EGADLP CC(C)C[NH2+]CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001349487699 1391334674 /nfs/dbraw/zinc/33/46/74/1391334674.db2.gz SAVXHBUVBXJDEB-UHFFFAOYSA-N 2 2 326.444 3.071 20 0 EGADLP c1cn(CCCC[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC001350927623 1391560851 /nfs/dbraw/zinc/56/08/51/1391560851.db2.gz VVTQEYORJZTZGX-WCRBZPEASA-N 3 2 338.499 3.164 20 0 EGADLP c1cn(CCCC[NH2+]C2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC001350927623 1391560852 /nfs/dbraw/zinc/56/08/52/1391560852.db2.gz VVTQEYORJZTZGX-WCRBZPEASA-N 3 2 338.499 3.164 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)ccn12 ZINC001354888427 1392175494 /nfs/dbraw/zinc/17/54/94/1392175494.db2.gz FMUDGARFRULCHT-SFHVURJKSA-N 2 2 342.487 3.129 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001690487855 1404602287 /nfs/dbraw/zinc/60/22/87/1404602287.db2.gz AZNIJDDXQPKSBU-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001690534004 1404624549 /nfs/dbraw/zinc/62/45/49/1404624549.db2.gz FFDYKGOMZOQERG-GTPINHCMSA-N 2 2 334.508 3.042 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001690534004 1404624554 /nfs/dbraw/zinc/62/45/54/1404624554.db2.gz FFDYKGOMZOQERG-GTPINHCMSA-N 2 2 334.508 3.042 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001690592044 1404643074 /nfs/dbraw/zinc/64/30/74/1404643074.db2.gz RRFUBSQNKQOAIR-CABCVRRESA-N 2 2 336.439 3.340 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001690641671 1404673683 /nfs/dbraw/zinc/67/36/83/1404673683.db2.gz OLHHDVUNTPEOCQ-OOHWJJMZSA-N 2 2 348.535 3.207 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001691856622 1405572987 /nfs/dbraw/zinc/57/29/87/1405572987.db2.gz LQVOJYGEJOBWTB-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001691856622 1405572989 /nfs/dbraw/zinc/57/29/89/1405572989.db2.gz LQVOJYGEJOBWTB-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001691922584 1405652398 /nfs/dbraw/zinc/65/23/98/1405652398.db2.gz QFBHGDDULPWVOD-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001691922584 1405652401 /nfs/dbraw/zinc/65/24/01/1405652401.db2.gz QFBHGDDULPWVOD-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001732072444 1428321760 /nfs/dbraw/zinc/32/17/60/1428321760.db2.gz DLVBJCBWFVATAH-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001732072444 1428321762 /nfs/dbraw/zinc/32/17/62/1428321762.db2.gz DLVBJCBWFVATAH-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001732327827 1428535363 /nfs/dbraw/zinc/53/53/63/1428535363.db2.gz QCAMSNWMRIEKQW-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001732560366 1428749585 /nfs/dbraw/zinc/74/95/85/1428749585.db2.gz XNVYWXGHACORAR-VQIMIIECSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C(C)C ZINC001732560366 1428749587 /nfs/dbraw/zinc/74/95/87/1428749587.db2.gz XNVYWXGHACORAR-VQIMIIECSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)CC[C@H]([NH2+]CC2CC2)C(C)C)c(C)[nH+]1 ZINC001700502813 1414150795 /nfs/dbraw/zinc/15/07/95/1414150795.db2.gz YZLZIDUKSZROLU-SFHVURJKSA-N 2 2 331.504 3.493 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001700995375 1414643447 /nfs/dbraw/zinc/64/34/47/1414643447.db2.gz PCWDIVPSJFSDHM-RDJZCZTQSA-N 2 2 342.487 3.142 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001733001435 1429122927 /nfs/dbraw/zinc/12/29/27/1429122927.db2.gz HVYPSDNSEMRPHV-ZDUSSCGKSA-N 2 2 348.406 3.217 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713275393 1417892496 /nfs/dbraw/zinc/89/24/96/1417892496.db2.gz IBXSUWKJJTXAKM-SJORKVTESA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713275393 1417892497 /nfs/dbraw/zinc/89/24/97/1417892497.db2.gz IBXSUWKJJTXAKM-SJORKVTESA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713275393 1417892501 /nfs/dbraw/zinc/89/25/01/1417892501.db2.gz IBXSUWKJJTXAKM-SJORKVTESA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713275393 1417892505 /nfs/dbraw/zinc/89/25/05/1417892505.db2.gz IBXSUWKJJTXAKM-SJORKVTESA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713275390 1417892846 /nfs/dbraw/zinc/89/28/46/1417892846.db2.gz IBXSUWKJJTXAKM-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713275390 1417892850 /nfs/dbraw/zinc/89/28/50/1417892850.db2.gz IBXSUWKJJTXAKM-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713275390 1417892853 /nfs/dbraw/zinc/89/28/53/1417892853.db2.gz IBXSUWKJJTXAKM-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001713275390 1417892858 /nfs/dbraw/zinc/89/28/58/1417892858.db2.gz IBXSUWKJJTXAKM-DLBZAZTESA-N 2 2 348.535 3.385 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001713315436 1417940852 /nfs/dbraw/zinc/94/08/52/1417940852.db2.gz WEQSAGPATDVABP-HZPDHXFCSA-N 2 2 342.487 3.321 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001713315436 1417940855 /nfs/dbraw/zinc/94/08/55/1417940855.db2.gz WEQSAGPATDVABP-HZPDHXFCSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001713643094 1418409066 /nfs/dbraw/zinc/40/90/66/1418409066.db2.gz CNHNKXVAJABGRF-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001713643094 1418409069 /nfs/dbraw/zinc/40/90/69/1418409069.db2.gz CNHNKXVAJABGRF-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@@H]([NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC001714804811 1419518267 /nfs/dbraw/zinc/51/82/67/1419518267.db2.gz SOQZAJSPCYBFHY-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715664515 1420285217 /nfs/dbraw/zinc/28/52/17/1420285217.db2.gz WJCPSUHCGIYIGZ-DYVFJYSZSA-N 2 2 348.878 3.097 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001715687823 1420295140 /nfs/dbraw/zinc/29/51/40/1420295140.db2.gz SGIMYSLNQLWUMM-CVEARBPZSA-N 2 2 342.487 3.321 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1Cl)NC(=O)CCCn1cc[nH+]c1 ZINC001715963699 1420429619 /nfs/dbraw/zinc/42/96/19/1420429619.db2.gz AGHKQRQFOWGXMK-CABCVRRESA-N 2 2 348.878 3.172 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001716062415 1420522709 /nfs/dbraw/zinc/52/27/09/1420522709.db2.gz VBLOVRKJQKJBAC-PKOBYXMFSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001716062415 1420522711 /nfs/dbraw/zinc/52/27/11/1420522711.db2.gz VBLOVRKJQKJBAC-PKOBYXMFSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001716798175 1420931405 /nfs/dbraw/zinc/93/14/05/1420931405.db2.gz KGSIPCPHCCEHOK-INIZCTEOSA-N 2 2 348.535 3.385 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001716798175 1420931406 /nfs/dbraw/zinc/93/14/06/1420931406.db2.gz KGSIPCPHCCEHOK-INIZCTEOSA-N 2 2 348.535 3.385 20 0 EGADLP CC[N@H+](CCC1CCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001717356898 1421292009 /nfs/dbraw/zinc/29/20/09/1421292009.db2.gz PRQPXZXTSQUSAP-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CCC1CCCC1)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001717356898 1421292011 /nfs/dbraw/zinc/29/20/11/1421292011.db2.gz PRQPXZXTSQUSAP-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001717478232 1421412174 /nfs/dbraw/zinc/41/21/74/1421412174.db2.gz OJRGPFWZRWPUDD-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001717478232 1421412177 /nfs/dbraw/zinc/41/21/77/1421412177.db2.gz OJRGPFWZRWPUDD-OAHLLOKOSA-N 2 2 336.439 3.122 20 0 EGADLP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC001717516816 1421453879 /nfs/dbraw/zinc/45/38/79/1421453879.db2.gz QOQHBEZLBQDQDQ-FUHWJXTLSA-N 2 2 342.487 3.176 20 0 EGADLP CC1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH+](C/C=C/Cl)CC1 ZINC001733449145 1429659969 /nfs/dbraw/zinc/65/99/69/1429659969.db2.gz YSPNROCLGCDYTA-QHHAFSJGSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH+]cn1C ZINC001722913246 1424243593 /nfs/dbraw/zinc/24/35/93/1424243593.db2.gz HTZXYVMUFJRGKE-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](C[N@@H+](C)CC1CCC(C)(C)CC1)NC(=O)CCc1c[nH+]cn1C ZINC001722913246 1424243596 /nfs/dbraw/zinc/24/35/96/1424243596.db2.gz HTZXYVMUFJRGKE-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001733690134 1429907060 /nfs/dbraw/zinc/90/70/60/1429907060.db2.gz NHBQERXZJJPRLA-XSLAGTTESA-N 2 2 334.508 3.145 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC001733717852 1429937078 /nfs/dbraw/zinc/93/70/78/1429937078.db2.gz DGBHQVKBYXIRFF-HNNXBMFYSA-N 2 2 342.487 3.487 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CC(C)C3)CCC2)c(C)[nH+]1 ZINC001733720096 1429940687 /nfs/dbraw/zinc/94/06/87/1429940687.db2.gz OZLVLMWSCOSMSA-UHFFFAOYSA-N 2 2 329.488 3.295 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761724 1429977018 /nfs/dbraw/zinc/97/70/18/1429977018.db2.gz YQKCOYCJPDGFIY-WMZOPIPTSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001733761724 1429977021 /nfs/dbraw/zinc/97/70/21/1429977021.db2.gz YQKCOYCJPDGFIY-WMZOPIPTSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761724 1429977023 /nfs/dbraw/zinc/97/70/23/1429977023.db2.gz YQKCOYCJPDGFIY-WMZOPIPTSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001733761724 1429977026 /nfs/dbraw/zinc/97/70/26/1429977026.db2.gz YQKCOYCJPDGFIY-WMZOPIPTSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCCC1CCC1 ZINC001734047588 1437836238 /nfs/dbraw/zinc/83/62/38/1437836238.db2.gz PEWJPOOHKPHJBO-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCCC1CCC1 ZINC001734047588 1437836244 /nfs/dbraw/zinc/83/62/44/1437836244.db2.gz PEWJPOOHKPHJBO-AWEZNQCLSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456581 1438113964 /nfs/dbraw/zinc/11/39/64/1438113964.db2.gz HHICLBOWYUSKFC-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456581 1438113965 /nfs/dbraw/zinc/11/39/65/1438113965.db2.gz HHICLBOWYUSKFC-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456581 1438113966 /nfs/dbraw/zinc/11/39/66/1438113966.db2.gz HHICLBOWYUSKFC-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456581 1438113967 /nfs/dbraw/zinc/11/39/67/1438113967.db2.gz HHICLBOWYUSKFC-APWZRJJASA-N 2 2 346.519 3.282 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001734476650 1438125458 /nfs/dbraw/zinc/12/54/58/1438125458.db2.gz HICKELGZFFUTBK-MOPGFXCFSA-N 2 2 346.519 3.118 20 0 EGADLP CC[C@@H](C[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1)OC ZINC001752851601 1440233702 /nfs/dbraw/zinc/23/37/02/1440233702.db2.gz WTYXEYUJAHLRLU-ABHNRTSZSA-N 2 2 347.503 3.062 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972044 1440255217 /nfs/dbraw/zinc/25/52/17/1440255217.db2.gz SPKCUHBSTMWZDF-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972044 1440255218 /nfs/dbraw/zinc/25/52/18/1440255218.db2.gz SPKCUHBSTMWZDF-QZTJIDSGSA-N 2 2 346.519 3.330 20 0 EGADLP CCC(CC)C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001753155444 1440330726 /nfs/dbraw/zinc/33/07/26/1440330726.db2.gz MQJJJWWXYDFVRH-UHFFFAOYSA-N 2 2 328.460 3.193 20 0 EGADLP CCC(CC)C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001753155444 1440330727 /nfs/dbraw/zinc/33/07/27/1440330727.db2.gz MQJJJWWXYDFVRH-UHFFFAOYSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753365412 1440384843 /nfs/dbraw/zinc/38/48/43/1440384843.db2.gz NYHSQYCNAIQJPH-UHFFFAOYSA-N 2 2 340.471 3.313 20 0 EGADLP CC(C)=CC[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753365412 1440384844 /nfs/dbraw/zinc/38/48/44/1440384844.db2.gz NYHSQYCNAIQJPH-UHFFFAOYSA-N 2 2 340.471 3.313 20 0 EGADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC1=CCCCC1 ZINC001753479042 1440415955 /nfs/dbraw/zinc/41/59/55/1440415955.db2.gz LIHGURRHQQTENB-QGZVFWFLSA-N 2 2 340.471 3.323 20 0 EGADLP CC/C=C\CC[NH2+]C[C@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001753535102 1440432256 /nfs/dbraw/zinc/43/22/56/1440432256.db2.gz CTASLEJNCPGVJT-AQZVRURSSA-N 2 2 346.519 3.272 20 0 EGADLP C[C@@H]1CCCC[C@@]1(C[NH2+]CCCC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001753536817 1440432853 /nfs/dbraw/zinc/43/28/53/1440432853.db2.gz ZDFPMKCZVDHIIG-UZLBHIALSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]CC1CCC2(CC2)CC1 ZINC001753635164 1440453116 /nfs/dbraw/zinc/45/31/16/1440453116.db2.gz YCJDAYUWJBLQNR-DLBZAZTESA-N 2 2 346.519 3.147 20 0 EGADLP CC1(C)CCC(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCCC2)CC1 ZINC001753671161 1440462198 /nfs/dbraw/zinc/46/21/98/1440462198.db2.gz SOXSDOMPGPPZHF-UHFFFAOYSA-N 2 2 346.519 3.118 20 0 EGADLP CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753737712 1440478236 /nfs/dbraw/zinc/47/82/36/1440478236.db2.gz VGUGFMIXYGTYGG-KRWDZBQOSA-N 2 2 328.460 3.016 20 0 EGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001753757403 1440483441 /nfs/dbraw/zinc/48/34/41/1440483441.db2.gz PXBJENVVVMYCKX-SJORKVTESA-N 2 2 342.487 3.355 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001753787822 1440488461 /nfs/dbraw/zinc/48/84/61/1440488461.db2.gz IWZWTNLTSNBMNN-KRWDZBQOSA-N 2 2 348.535 3.448 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001753796334 1440489896 /nfs/dbraw/zinc/48/98/96/1440489896.db2.gz JTXFPTNZDDMRFA-AEFFLSMTSA-N 2 2 331.504 3.493 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001753807574 1440491989 /nfs/dbraw/zinc/49/19/89/1440491989.db2.gz OLFTVUIFTWSUPL-DLBZAZTESA-N 2 2 348.535 3.006 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754231993 1440554176 /nfs/dbraw/zinc/55/41/76/1440554176.db2.gz UWLJAQRWWKRBCF-CABCVRRESA-N 2 2 336.439 3.340 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001754345085 1440589512 /nfs/dbraw/zinc/58/95/12/1440589512.db2.gz HWFTZLCXHXNWBU-RBUKOAKNSA-N 2 2 344.503 3.038 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001754352604 1440591060 /nfs/dbraw/zinc/59/10/60/1440591060.db2.gz ZMDUTFNKKPUVIY-ROUUACIJSA-N 2 2 348.535 3.364 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](CC1CCCC1)C1CCCCCC1 ZINC001754547773 1440628372 /nfs/dbraw/zinc/62/83/72/1440628372.db2.gz QGTCOHKBOXWYDT-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](CC1CCCC1)C1CCCCCC1 ZINC001754547773 1440628373 /nfs/dbraw/zinc/62/83/73/1440628373.db2.gz QGTCOHKBOXWYDT-UHFFFAOYSA-N 2 2 346.519 3.283 20 0 EGADLP CC(C)C[C@H](C(=O)N(C)C1C[NH+](CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001754578955 1440638322 /nfs/dbraw/zinc/63/83/22/1440638322.db2.gz YQLIKITYLKTKIV-LJQANCHMSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732653 1440680614 /nfs/dbraw/zinc/68/06/14/1440680614.db2.gz ZNKBMEBORFOXMP-JXFKEZNVSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732653 1440680615 /nfs/dbraw/zinc/68/06/15/1440680615.db2.gz ZNKBMEBORFOXMP-JXFKEZNVSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)(C)C)C1 ZINC001754732653 1440680616 /nfs/dbraw/zinc/68/06/16/1440680616.db2.gz ZNKBMEBORFOXMP-JXFKEZNVSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(C)CCC[N@@H+](CCC(C)(C)C)C1 ZINC001754732653 1440680617 /nfs/dbraw/zinc/68/06/17/1440680617.db2.gz ZNKBMEBORFOXMP-JXFKEZNVSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024778 1440728259 /nfs/dbraw/zinc/72/82/59/1440728259.db2.gz INEKDEIOJJWXGU-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024778 1440728260 /nfs/dbraw/zinc/72/82/60/1440728260.db2.gz INEKDEIOJJWXGU-MOPGFXCFSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028441 1440730086 /nfs/dbraw/zinc/73/00/86/1440730086.db2.gz FDYGKYBTMAERIW-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028441 1440730087 /nfs/dbraw/zinc/73/00/87/1440730087.db2.gz FDYGKYBTMAERIW-MJGOQNOKSA-N 2 2 346.519 3.385 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079707 1440750502 /nfs/dbraw/zinc/75/05/02/1440750502.db2.gz PMQMOPWJHAFSKN-FBQMEGEOSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C\CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079707 1440750503 /nfs/dbraw/zinc/75/05/03/1440750503.db2.gz PMQMOPWJHAFSKN-FBQMEGEOSA-N 2 2 344.503 3.013 20 0 EGADLP CC/C=C/CC[N@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755530440 1440867132 /nfs/dbraw/zinc/86/71/32/1440867132.db2.gz DHIJAPJRHDFAOT-SNAWJCMRSA-N 2 2 340.471 3.456 20 0 EGADLP CC/C=C/CC[N@@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755530440 1440867133 /nfs/dbraw/zinc/86/71/33/1440867133.db2.gz DHIJAPJRHDFAOT-SNAWJCMRSA-N 2 2 340.471 3.456 20 0 EGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@@H]1CCc2ccccc21 ZINC001755593191 1440881801 /nfs/dbraw/zinc/88/18/01/1440881801.db2.gz TZMIIJATNDDEKJ-AUUYWEPGSA-N 2 2 348.450 3.301 20 0 EGADLP C[C@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CCCC1 ZINC001755598572 1440883434 /nfs/dbraw/zinc/88/34/34/1440883434.db2.gz JKKSHJQLSXALAO-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CCC1CCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001755833343 1440929439 /nfs/dbraw/zinc/92/94/39/1440929439.db2.gz ISNWJNARTMMQRR-KRWDZBQOSA-N 2 2 334.508 3.043 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000130365983 529899239 /nfs/dbraw/zinc/89/92/39/529899239.db2.gz GFQLFMUJUDUURQ-UHFFFAOYSA-N 2 2 340.471 3.031 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000130365983 529899240 /nfs/dbraw/zinc/89/92/40/529899240.db2.gz GFQLFMUJUDUURQ-UHFFFAOYSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213354 282305488 /nfs/dbraw/zinc/30/54/88/282305488.db2.gz QIOLMGNYVDKIQQ-HUUCEWRRSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c(C(C)C)nc2s1 ZINC000355213354 282305489 /nfs/dbraw/zinc/30/54/89/282305489.db2.gz QIOLMGNYVDKIQQ-HUUCEWRRSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213354 282305490 /nfs/dbraw/zinc/30/54/90/282305490.db2.gz QIOLMGNYVDKIQQ-HUUCEWRRSA-N 2 2 347.532 3.139 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c(C(C)C)nc2s1 ZINC000355213354 282305492 /nfs/dbraw/zinc/30/54/92/282305492.db2.gz QIOLMGNYVDKIQQ-HUUCEWRRSA-N 2 2 347.532 3.139 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880585 530064780 /nfs/dbraw/zinc/06/47/80/530064780.db2.gz FHXUGFFDCWSECP-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880585 530064781 /nfs/dbraw/zinc/06/47/81/530064781.db2.gz FHXUGFFDCWSECP-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880585 530064782 /nfs/dbraw/zinc/06/47/82/530064782.db2.gz FHXUGFFDCWSECP-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158880585 530064783 /nfs/dbraw/zinc/06/47/83/530064783.db2.gz FHXUGFFDCWSECP-HOCLYGCPSA-N 2 2 346.862 3.306 20 0 EGADLP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102425754 219202951 /nfs/dbraw/zinc/20/29/51/219202951.db2.gz IESUULKFSTUMIQ-FBMGVBCBSA-N 3 2 327.516 3.238 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000103168971 219264904 /nfs/dbraw/zinc/26/49/04/219264904.db2.gz FXTLFRRUKZDKMZ-UHFFFAOYSA-N 2 2 347.484 3.216 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337418 283065721 /nfs/dbraw/zinc/06/57/21/283065721.db2.gz FOYNOVXYEUNZPA-QUCCMNQESA-N 2 2 345.531 3.260 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337418 283065722 /nfs/dbraw/zinc/06/57/22/283065722.db2.gz FOYNOVXYEUNZPA-QUCCMNQESA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337418 283065723 /nfs/dbraw/zinc/06/57/23/283065723.db2.gz FOYNOVXYEUNZPA-QUCCMNQESA-N 2 2 345.531 3.260 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)C1 ZINC000348337418 283065724 /nfs/dbraw/zinc/06/57/24/283065724.db2.gz FOYNOVXYEUNZPA-QUCCMNQESA-N 2 2 345.531 3.260 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072305193 216143011 /nfs/dbraw/zinc/14/30/11/216143011.db2.gz QOVGPMHDQOTELA-DLBZAZTESA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072305193 216143015 /nfs/dbraw/zinc/14/30/15/216143015.db2.gz QOVGPMHDQOTELA-DLBZAZTESA-N 2 2 347.478 3.269 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868901 216321900 /nfs/dbraw/zinc/32/19/00/216321900.db2.gz TZNZHTDFIYSURS-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868901 216321901 /nfs/dbraw/zinc/32/19/01/216321901.db2.gz TZNZHTDFIYSURS-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868901 216321902 /nfs/dbraw/zinc/32/19/02/216321902.db2.gz TZNZHTDFIYSURS-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868901 216321903 /nfs/dbraw/zinc/32/19/03/216321903.db2.gz TZNZHTDFIYSURS-HKUYNNGSSA-N 2 2 345.531 3.134 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246114948 243198583 /nfs/dbraw/zinc/19/85/83/243198583.db2.gz FQAMUJXSOGGVRE-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246114948 243198588 /nfs/dbraw/zinc/19/85/88/243198588.db2.gz FQAMUJXSOGGVRE-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000246114948 243198593 /nfs/dbraw/zinc/19/85/93/243198593.db2.gz FQAMUJXSOGGVRE-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000246114948 243198599 /nfs/dbraw/zinc/19/85/99/243198599.db2.gz FQAMUJXSOGGVRE-BJLQDIEVSA-N 2 2 345.531 3.306 20 0 EGADLP O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262581787 245042949 /nfs/dbraw/zinc/04/29/49/245042949.db2.gz MFRZSUUDVJTEKB-CYBMUJFWSA-N 2 2 345.830 3.257 20 0 EGADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262643772 245088872 /nfs/dbraw/zinc/08/88/72/245088872.db2.gz UDTABXDKSGRPQV-CRAIPNDOSA-N 2 2 325.412 3.121 20 0 EGADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000262687536 245120642 /nfs/dbraw/zinc/12/06/42/245120642.db2.gz YILYKDMSMAPSSJ-LJQANCHMSA-N 2 2 326.444 3.342 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000136290948 223638062 /nfs/dbraw/zinc/63/80/62/223638062.db2.gz AHGRPEVDSWHCKU-CQSZACIVSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000136290948 223638068 /nfs/dbraw/zinc/63/80/68/223638068.db2.gz AHGRPEVDSWHCKU-CQSZACIVSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266768322 248442525 /nfs/dbraw/zinc/44/25/25/248442525.db2.gz RTFYFANRZUZRDD-UHFFFAOYSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338446 169012325 /nfs/dbraw/zinc/01/23/25/169012325.db2.gz XUNLZLJZRASUOW-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338446 169012327 /nfs/dbraw/zinc/01/23/27/169012327.db2.gz XUNLZLJZRASUOW-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338446 169012329 /nfs/dbraw/zinc/01/23/29/169012329.db2.gz XUNLZLJZRASUOW-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377338446 169012330 /nfs/dbraw/zinc/01/23/30/169012330.db2.gz XUNLZLJZRASUOW-ROUUACIJSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000377541212 169038334 /nfs/dbraw/zinc/03/83/34/169038334.db2.gz LCTKLGJPXYCFBE-OAHLLOKOSA-N 2 2 345.512 3.259 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250834 169091735 /nfs/dbraw/zinc/09/17/35/169091735.db2.gz UTEBJUYXNVYLPV-KFWWJZLASA-N 2 2 337.533 3.124 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nc(C(C)(C)C)cs1 ZINC000378250834 169091737 /nfs/dbraw/zinc/09/17/37/169091737.db2.gz UTEBJUYXNVYLPV-KFWWJZLASA-N 2 2 337.533 3.124 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000378282512 169095951 /nfs/dbraw/zinc/09/59/51/169095951.db2.gz WIHJKBPKJRMRTJ-ZDUSSCGKSA-N 2 2 325.334 3.308 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000378282512 169095953 /nfs/dbraw/zinc/09/59/53/169095953.db2.gz WIHJKBPKJRMRTJ-ZDUSSCGKSA-N 2 2 325.334 3.308 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043358 218109036 /nfs/dbraw/zinc/10/90/36/218109036.db2.gz HWZCQSSPXWQXMS-KSSFIOAISA-N 2 2 328.435 3.132 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043358 218109038 /nfs/dbraw/zinc/10/90/38/218109038.db2.gz HWZCQSSPXWQXMS-KSSFIOAISA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043358 218109040 /nfs/dbraw/zinc/10/90/40/218109040.db2.gz HWZCQSSPXWQXMS-KSSFIOAISA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CC[C@@H]21 ZINC000092043358 218109042 /nfs/dbraw/zinc/10/90/42/218109042.db2.gz HWZCQSSPXWQXMS-KSSFIOAISA-N 2 2 328.435 3.132 20 0 EGADLP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3-n3cc[nH+]c3)c(C)n2n1 ZINC000093400707 218221548 /nfs/dbraw/zinc/22/15/48/218221548.db2.gz MDFOEDDIHOOVIC-OAHLLOKOSA-N 2 2 346.438 3.383 20 0 EGADLP Cc1nc(N2CCC([NH2+]CCOc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000095416539 218356254 /nfs/dbraw/zinc/35/62/54/218356254.db2.gz RIEHUJNOCXXKDJ-UHFFFAOYSA-N 2 2 340.471 3.039 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)ccc1SC ZINC000153276618 224083374 /nfs/dbraw/zinc/08/33/74/224083374.db2.gz DKTLXFKNYPPATR-LSDHHAIUSA-N 2 2 338.517 3.036 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268823227 252272205 /nfs/dbraw/zinc/27/22/05/252272205.db2.gz HMWQSQZSDZNSDL-SAIGTISXSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268823227 252272207 /nfs/dbraw/zinc/27/22/07/252272207.db2.gz HMWQSQZSDZNSDL-SAIGTISXSA-N 2 2 336.479 3.287 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268879559 252326761 /nfs/dbraw/zinc/32/67/61/252326761.db2.gz RAFCZEXVFLTDBK-PXNSSMCTSA-N 3 2 326.488 3.224 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268879559 252326764 /nfs/dbraw/zinc/32/67/64/252326764.db2.gz RAFCZEXVFLTDBK-PXNSSMCTSA-N 3 2 326.488 3.224 20 0 EGADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ncccc2N(C)C)CC1 ZINC000353609156 296353420 /nfs/dbraw/zinc/35/34/20/296353420.db2.gz AROODBQDXGMDRN-VQIMIIECSA-N 2 2 330.520 3.280 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c(OC)c1 ZINC000130662386 533168648 /nfs/dbraw/zinc/16/86/48/533168648.db2.gz JNQBSDSGJJCXGV-AWEZNQCLSA-N 2 2 325.412 3.245 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000154875024 224320150 /nfs/dbraw/zinc/32/01/50/224320150.db2.gz SCXHHHHFLFQAJF-LJQANCHMSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838577 533422225 /nfs/dbraw/zinc/42/22/25/533422225.db2.gz KHJUFFGAYROSFL-YLJYHZDGSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccncc1 ZINC000191838577 533422230 /nfs/dbraw/zinc/42/22/30/533422230.db2.gz KHJUFFGAYROSFL-YLJYHZDGSA-N 2 2 325.456 3.023 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(F)(F)F ZINC000246848706 141038757 /nfs/dbraw/zinc/03/87/57/141038757.db2.gz CNKUJGSBVPRMRI-GXTWGEPZSA-N 2 2 333.423 3.135 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSC(F)(F)F ZINC000246848706 141038761 /nfs/dbraw/zinc/03/87/61/141038761.db2.gz CNKUJGSBVPRMRI-GXTWGEPZSA-N 2 2 333.423 3.135 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)c[nH+]c12 ZINC000339500506 141124324 /nfs/dbraw/zinc/12/43/24/141124324.db2.gz ACWTUEOAAOVCSG-PSLXWICFSA-N 2 2 327.453 3.231 20 0 EGADLP CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542637 141128125 /nfs/dbraw/zinc/12/81/25/141128125.db2.gz GXHQYJCIIWTHLG-AVRDEDQJSA-N 2 2 338.495 3.189 20 0 EGADLP CC[C@@H](C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000339542637 141128126 /nfs/dbraw/zinc/12/81/26/141128126.db2.gz GXHQYJCIIWTHLG-AVRDEDQJSA-N 2 2 338.495 3.189 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2c[nH]c3ncccc23)CC1 ZINC000356840454 141352565 /nfs/dbraw/zinc/35/25/65/141352565.db2.gz FLXPWDJONXQTNC-UHFFFAOYSA-N 2 2 340.393 3.112 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@H]2CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677806874 549334581 /nfs/dbraw/zinc/33/45/81/549334581.db2.gz SDVHOLIVEMSDMY-UXHICEINSA-N 2 2 346.515 3.072 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677806874 549334584 /nfs/dbraw/zinc/33/45/84/549334584.db2.gz SDVHOLIVEMSDMY-UXHICEINSA-N 2 2 346.515 3.072 20 0 EGADLP Clc1ccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000172936403 144031277 /nfs/dbraw/zinc/03/12/77/144031277.db2.gz FIGGKGZDJFDAKD-OAHLLOKOSA-N 2 2 340.920 3.086 20 0 EGADLP Clc1ccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000172936403 144031279 /nfs/dbraw/zinc/03/12/79/144031279.db2.gz FIGGKGZDJFDAKD-OAHLLOKOSA-N 2 2 340.920 3.086 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@@H+]1C ZINC000344680325 144209017 /nfs/dbraw/zinc/20/90/17/144209017.db2.gz NFZJZFWCXJHETP-AAEUAGOBSA-N 2 2 340.393 3.164 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[N@H+]1C ZINC000344680325 144209018 /nfs/dbraw/zinc/20/90/18/144209018.db2.gz NFZJZFWCXJHETP-AAEUAGOBSA-N 2 2 340.393 3.164 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000344723525 144215902 /nfs/dbraw/zinc/21/59/02/144215902.db2.gz KWJAJWSSBIBESP-QUCCMNQESA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000344723525 144215904 /nfs/dbraw/zinc/21/59/04/144215904.db2.gz KWJAJWSSBIBESP-QUCCMNQESA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351436831 144264892 /nfs/dbraw/zinc/26/48/92/144264892.db2.gz AVLLJNRBZMUNOL-CQSZACIVSA-N 2 2 331.287 3.270 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351436831 144264893 /nfs/dbraw/zinc/26/48/93/144264893.db2.gz AVLLJNRBZMUNOL-CQSZACIVSA-N 2 2 331.287 3.270 20 0 EGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351436831 144264895 /nfs/dbraw/zinc/26/48/95/144264895.db2.gz AVLLJNRBZMUNOL-CQSZACIVSA-N 2 2 331.287 3.270 20 0 EGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351436831 144264897 /nfs/dbraw/zinc/26/48/97/144264897.db2.gz AVLLJNRBZMUNOL-CQSZACIVSA-N 2 2 331.287 3.270 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516319 144273016 /nfs/dbraw/zinc/27/30/16/144273016.db2.gz XKKYSYQJOYLUCJ-VXKWHMMOSA-N 2 2 336.479 3.241 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516319 144273018 /nfs/dbraw/zinc/27/30/18/144273018.db2.gz XKKYSYQJOYLUCJ-VXKWHMMOSA-N 2 2 336.479 3.241 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1)C1CC1 ZINC000351516319 144273022 /nfs/dbraw/zinc/27/30/22/144273022.db2.gz XKKYSYQJOYLUCJ-VXKWHMMOSA-N 2 2 336.479 3.241 20 0 EGADLP Cc1cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000341462708 155306711 /nfs/dbraw/zinc/30/67/11/155306711.db2.gz BXINZYLCXWTFER-OAHLLOKOSA-N 2 2 332.398 3.077 20 0 EGADLP Cc1cc(NC[C@H](c2ccccc2Cl)[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000341488043 155319651 /nfs/dbraw/zinc/31/96/51/155319651.db2.gz QTAASOOXARRYLO-MRXNPFEDSA-N 2 2 330.863 3.453 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341492969 155323546 /nfs/dbraw/zinc/32/35/46/155323546.db2.gz FNZFICMUCPLZCD-IBGZPJMESA-N 3 2 344.547 3.148 20 0 EGADLP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000341492969 155323543 /nfs/dbraw/zinc/32/35/43/155323543.db2.gz FNZFICMUCPLZCD-IBGZPJMESA-N 3 2 344.547 3.148 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840054 153224156 /nfs/dbraw/zinc/22/41/56/153224156.db2.gz XNZZUNQBAKIHQK-YJBOKZPZSA-N 2 2 345.512 3.393 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)s1 ZINC000191840054 153224160 /nfs/dbraw/zinc/22/41/60/153224160.db2.gz XNZZUNQBAKIHQK-YJBOKZPZSA-N 2 2 345.512 3.393 20 0 EGADLP CCC(CC)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)C(=O)OC ZINC000192126802 153242604 /nfs/dbraw/zinc/24/26/04/153242604.db2.gz GOXAXCJLCZGEMG-UHFFFAOYSA-N 2 2 329.444 3.250 20 0 EGADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000192637395 153252839 /nfs/dbraw/zinc/25/28/39/153252839.db2.gz VYURMKSPEBJEFO-INIZCTEOSA-N 2 2 330.925 3.243 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000193165765 153281281 /nfs/dbraw/zinc/28/12/81/153281281.db2.gz MMTFILBRNJEIQM-XLIONFOSSA-N 2 2 344.499 3.345 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000193165765 153281285 /nfs/dbraw/zinc/28/12/85/153281285.db2.gz MMTFILBRNJEIQM-XLIONFOSSA-N 2 2 344.499 3.345 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CCCCC1 ZINC000194669081 153351192 /nfs/dbraw/zinc/35/11/92/153351192.db2.gz JRESLDKJQCYKTP-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)c[nH+]1 ZINC000337372212 154315194 /nfs/dbraw/zinc/31/51/94/154315194.db2.gz ZPPOQFYDCYQOTO-LJQANCHMSA-N 2 2 325.456 3.370 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000345225389 156003235 /nfs/dbraw/zinc/00/32/35/156003235.db2.gz OGTDYFAWOPVOSX-WOJBJXKFSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000345225389 156003236 /nfs/dbraw/zinc/00/32/36/156003236.db2.gz OGTDYFAWOPVOSX-WOJBJXKFSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000345225389 156003237 /nfs/dbraw/zinc/00/32/37/156003237.db2.gz OGTDYFAWOPVOSX-WOJBJXKFSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000345225389 156003238 /nfs/dbraw/zinc/00/32/38/156003238.db2.gz OGTDYFAWOPVOSX-WOJBJXKFSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000345225386 156003962 /nfs/dbraw/zinc/00/39/62/156003962.db2.gz OGTDYFAWOPVOSX-UXHICEINSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000345225386 156003966 /nfs/dbraw/zinc/00/39/66/156003966.db2.gz OGTDYFAWOPVOSX-UXHICEINSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000345225386 156003969 /nfs/dbraw/zinc/00/39/69/156003969.db2.gz OGTDYFAWOPVOSX-UXHICEINSA-N 2 2 343.515 3.032 20 0 EGADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000345225386 156003973 /nfs/dbraw/zinc/00/39/73/156003973.db2.gz OGTDYFAWOPVOSX-UXHICEINSA-N 2 2 343.515 3.032 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994022 156235552 /nfs/dbraw/zinc/23/55/52/156235552.db2.gz BCEXEGLFDRTPGV-GJZGRUSLSA-N 2 2 331.485 3.281 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994022 156235557 /nfs/dbraw/zinc/23/55/57/156235557.db2.gz BCEXEGLFDRTPGV-GJZGRUSLSA-N 2 2 331.485 3.281 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000365514026 157152008 /nfs/dbraw/zinc/15/20/08/157152008.db2.gz PTUKJQAPIDIVNR-OAHLLOKOSA-N 2 2 331.435 3.413 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000365514026 157152012 /nfs/dbraw/zinc/15/20/12/157152012.db2.gz PTUKJQAPIDIVNR-OAHLLOKOSA-N 2 2 331.435 3.413 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000365633322 157198547 /nfs/dbraw/zinc/19/85/47/157198547.db2.gz VATBFGAKUUYSLA-LJQANCHMSA-N 2 2 335.455 3.045 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000365633322 157198553 /nfs/dbraw/zinc/19/85/53/157198553.db2.gz VATBFGAKUUYSLA-LJQANCHMSA-N 2 2 335.455 3.045 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365677816 157215980 /nfs/dbraw/zinc/21/59/80/157215980.db2.gz LPLPQTDNZIMTKC-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365677816 157215984 /nfs/dbraw/zinc/21/59/84/157215984.db2.gz LPLPQTDNZIMTKC-SJLPKXTDSA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000372585517 157362983 /nfs/dbraw/zinc/36/29/83/157362983.db2.gz NQUWRGSBOONPOX-LJQANCHMSA-N 3 2 338.499 3.323 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cc(Cl)ccc1OC ZINC000361892114 286909418 /nfs/dbraw/zinc/90/94/18/286909418.db2.gz ZOJHIZFZXBGCEC-RHSMWYFYSA-N 2 2 340.895 3.358 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000093659932 162019614 /nfs/dbraw/zinc/01/96/14/162019614.db2.gz YIXZGUMZTWJISM-IBGZPJMESA-N 2 2 326.488 3.487 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000093659932 162019618 /nfs/dbraw/zinc/01/96/18/162019618.db2.gz YIXZGUMZTWJISM-IBGZPJMESA-N 2 2 326.488 3.487 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000093659932 162019621 /nfs/dbraw/zinc/01/96/21/162019621.db2.gz YIXZGUMZTWJISM-IBGZPJMESA-N 2 2 326.488 3.487 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000093659932 162019625 /nfs/dbraw/zinc/01/96/25/162019625.db2.gz YIXZGUMZTWJISM-IBGZPJMESA-N 2 2 326.488 3.487 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660211 162021196 /nfs/dbraw/zinc/02/11/96/162021196.db2.gz KJSQPXLWKCXRAO-GOSISDBHSA-N 2 2 330.451 3.318 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660211 162021202 /nfs/dbraw/zinc/02/12/02/162021202.db2.gz KJSQPXLWKCXRAO-GOSISDBHSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660211 162021204 /nfs/dbraw/zinc/02/12/04/162021204.db2.gz KJSQPXLWKCXRAO-GOSISDBHSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093660211 162021208 /nfs/dbraw/zinc/02/12/08/162021208.db2.gz KJSQPXLWKCXRAO-GOSISDBHSA-N 2 2 330.451 3.318 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683342 162024144 /nfs/dbraw/zinc/02/41/44/162024144.db2.gz ZQZAKQYTEVPBHP-MRXNPFEDSA-N 2 2 336.549 3.297 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000093683342 162024149 /nfs/dbraw/zinc/02/41/49/162024149.db2.gz ZQZAKQYTEVPBHP-MRXNPFEDSA-N 2 2 336.549 3.297 20 0 EGADLP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000128730115 162333168 /nfs/dbraw/zinc/33/31/68/162333168.db2.gz UVMWFZKZUZSGDV-INIZCTEOSA-N 2 2 340.471 3.362 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162304 162347016 /nfs/dbraw/zinc/34/70/16/162347016.db2.gz YWLGYJFBUWPZHY-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162304 162347017 /nfs/dbraw/zinc/34/70/17/162347017.db2.gz YWLGYJFBUWPZHY-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162304 162347020 /nfs/dbraw/zinc/34/70/20/162347020.db2.gz YWLGYJFBUWPZHY-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)s3)CC[C@@H]21 ZINC000129162304 162347021 /nfs/dbraw/zinc/34/70/21/162347021.db2.gz YWLGYJFBUWPZHY-YPMHNXCESA-N 2 2 329.307 3.427 20 0 EGADLP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cs1 ZINC000343956538 164073184 /nfs/dbraw/zinc/07/31/84/164073184.db2.gz ABDWQDVPRISEGK-CQSZACIVSA-N 2 2 348.516 3.453 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000344338581 164160187 /nfs/dbraw/zinc/16/01/87/164160187.db2.gz XOMRJXSGLFMGIN-MISYRCLQSA-N 2 2 342.483 3.480 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000344338581 164160189 /nfs/dbraw/zinc/16/01/89/164160189.db2.gz XOMRJXSGLFMGIN-MISYRCLQSA-N 2 2 342.483 3.480 20 0 EGADLP CSc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344521412 164187075 /nfs/dbraw/zinc/18/70/75/164187075.db2.gz HIUYAGHTMBCJNM-FQEVSTJZSA-N 2 2 342.508 3.135 20 0 EGADLP CSc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344521412 164187077 /nfs/dbraw/zinc/18/70/77/164187077.db2.gz HIUYAGHTMBCJNM-FQEVSTJZSA-N 2 2 342.508 3.135 20 0 EGADLP C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000345936907 164299564 /nfs/dbraw/zinc/29/95/64/164299564.db2.gz QZKYYUHQVGCKIR-KZNAEPCWSA-N 2 2 346.519 3.163 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000346349915 164373364 /nfs/dbraw/zinc/37/33/64/164373364.db2.gz MKSNXXMOEXLADZ-UHFFFAOYSA-N 2 2 341.242 3.069 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000346349915 164373366 /nfs/dbraw/zinc/37/33/66/164373366.db2.gz MKSNXXMOEXLADZ-UHFFFAOYSA-N 2 2 341.242 3.069 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000346488607 164385441 /nfs/dbraw/zinc/38/54/41/164385441.db2.gz NVLWXBSDPMOUGU-INIZCTEOSA-N 2 2 345.830 3.135 20 0 EGADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000348101974 164631274 /nfs/dbraw/zinc/63/12/74/164631274.db2.gz KBDSKYITOSTXAF-HOTGVXAUSA-N 2 2 339.361 3.131 20 0 EGADLP CCc1nocc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000351640432 165111388 /nfs/dbraw/zinc/11/13/88/165111388.db2.gz HRBOKWUYLARIDA-UHFFFAOYSA-N 2 2 328.460 3.371 20 0 EGADLP CCc1nocc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000351640432 165111393 /nfs/dbraw/zinc/11/13/93/165111393.db2.gz HRBOKWUYLARIDA-UHFFFAOYSA-N 2 2 328.460 3.371 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000352086671 165227966 /nfs/dbraw/zinc/22/79/66/165227966.db2.gz GSAYRQIZGDVSJZ-SFHVURJKSA-N 2 2 348.441 3.075 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000352086671 165227968 /nfs/dbraw/zinc/22/79/68/165227968.db2.gz GSAYRQIZGDVSJZ-SFHVURJKSA-N 2 2 348.441 3.075 20 0 EGADLP CC[N@H+](CCN1CCC(C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000352118231 165245189 /nfs/dbraw/zinc/24/51/89/165245189.db2.gz AMIPORGCMWJJEN-UHFFFAOYSA-N 2 2 344.547 3.352 20 0 EGADLP CC[N@@H+](CCN1CCC(C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000352118231 165245191 /nfs/dbraw/zinc/24/51/91/165245191.db2.gz AMIPORGCMWJJEN-UHFFFAOYSA-N 2 2 344.547 3.352 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000352172854 165268333 /nfs/dbraw/zinc/26/83/33/165268333.db2.gz XLCWDLRRTJWBLY-GOSISDBHSA-N 2 2 346.519 3.101 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352297944 165330776 /nfs/dbraw/zinc/33/07/76/165330776.db2.gz QZMJIJKPWHOHLN-SOLBZPMBSA-N 2 2 326.488 3.480 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352297944 165330779 /nfs/dbraw/zinc/33/07/79/165330779.db2.gz QZMJIJKPWHOHLN-SOLBZPMBSA-N 2 2 326.488 3.480 20 0 EGADLP C[C@@H]1OCC[C@]12C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218214 166137495 /nfs/dbraw/zinc/13/74/95/166137495.db2.gz KUPRNJYINJBUPR-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1OCC[C@]12C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218214 166137499 /nfs/dbraw/zinc/13/74/99/166137499.db2.gz KUPRNJYINJBUPR-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1OCC[C@]12C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CCO2 ZINC000355218214 166137501 /nfs/dbraw/zinc/13/75/01/166137501.db2.gz KUPRNJYINJBUPR-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1OCC[C@]12C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CCO2 ZINC000355218214 166137504 /nfs/dbraw/zinc/13/75/04/166137504.db2.gz KUPRNJYINJBUPR-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cn2cc[nH+]c12 ZINC000355500456 166222527 /nfs/dbraw/zinc/22/25/27/166222527.db2.gz VKVIOUKGCZNXEK-KRWDZBQOSA-N 2 2 326.444 3.378 20 0 EGADLP Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cn2cc[nH+]c12 ZINC000355500456 166222531 /nfs/dbraw/zinc/22/25/31/166222531.db2.gz VKVIOUKGCZNXEK-KRWDZBQOSA-N 2 2 326.444 3.378 20 0 EGADLP CCCOc1cccc2c(NCC3([NH+]4CCOCC4)CC3)cc[nH+]c12 ZINC000355671741 166280487 /nfs/dbraw/zinc/28/04/87/166280487.db2.gz QSOYOPPANSONJC-UHFFFAOYSA-N 2 2 341.455 3.300 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCSc3ccc(F)cc3)CC2)c1 ZINC000355821708 166319650 /nfs/dbraw/zinc/31/96/50/166319650.db2.gz SPQVADXWJCHKEJ-UHFFFAOYSA-N 2 2 347.459 3.144 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358949706 167016155 /nfs/dbraw/zinc/01/61/55/167016155.db2.gz IUGMPTIGOWWXPT-OWCLPIDISA-N 2 2 331.460 3.100 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358949706 167016157 /nfs/dbraw/zinc/01/61/57/167016157.db2.gz IUGMPTIGOWWXPT-OWCLPIDISA-N 2 2 331.460 3.100 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000358949704 167016433 /nfs/dbraw/zinc/01/64/33/167016433.db2.gz IUGMPTIGOWWXPT-JYJNAYRXSA-N 2 2 331.460 3.100 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000359051525 167051025 /nfs/dbraw/zinc/05/10/25/167051025.db2.gz ZUGYCEKOXJRZAE-PKOBYXMFSA-N 2 2 334.504 3.191 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000359051525 167051027 /nfs/dbraw/zinc/05/10/27/167051027.db2.gz ZUGYCEKOXJRZAE-PKOBYXMFSA-N 2 2 334.504 3.191 20 0 EGADLP Cc1ccsc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000359312839 167122796 /nfs/dbraw/zinc/12/27/96/167122796.db2.gz OVVISPNJZHOGMI-AEFFLSMTSA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ccsc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000359312839 167122799 /nfs/dbraw/zinc/12/27/99/167122799.db2.gz OVVISPNJZHOGMI-AEFFLSMTSA-N 2 2 329.513 3.494 20 0 EGADLP Fc1cccc(F)c1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360425758 167326495 /nfs/dbraw/zinc/32/64/95/167326495.db2.gz BZGUIOYWKYACHM-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@]2(C)CCCc3ccccc32)CC1 ZINC000360984515 167473872 /nfs/dbraw/zinc/47/38/72/167473872.db2.gz RFFWBWJRJMFHFB-OAQYLSRUSA-N 2 2 344.499 3.245 20 0 EGADLP CN(Cc1cccc(Cl)c1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365029223 168013494 /nfs/dbraw/zinc/01/34/94/168013494.db2.gz QCXOGXHFPWRBKK-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1cccc(Cl)c1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365029223 168013495 /nfs/dbraw/zinc/01/34/95/168013495.db2.gz QCXOGXHFPWRBKK-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@H+](Cc1cccc(Cl)c1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365029223 168013496 /nfs/dbraw/zinc/01/34/96/168013496.db2.gz QCXOGXHFPWRBKK-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+](Cc1cccc(Cl)c1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365029223 168013498 /nfs/dbraw/zinc/01/34/98/168013498.db2.gz QCXOGXHFPWRBKK-MRXNPFEDSA-N 2 2 339.886 3.079 20 0 EGADLP COCCCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000367120787 168181516 /nfs/dbraw/zinc/18/15/16/168181516.db2.gz ILWFYPJGOZZXFI-RTBURBONSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000367120787 168181518 /nfs/dbraw/zinc/18/15/18/168181518.db2.gz ILWFYPJGOZZXFI-RTBURBONSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000367120787 168181520 /nfs/dbraw/zinc/18/15/20/168181520.db2.gz ILWFYPJGOZZXFI-RTBURBONSA-N 2 2 348.535 3.006 20 0 EGADLP COCCCn1nccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000367120787 168181523 /nfs/dbraw/zinc/18/15/23/168181523.db2.gz ILWFYPJGOZZXFI-RTBURBONSA-N 2 2 348.535 3.006 20 0 EGADLP c1c[nH]c([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CCCCC2)n1 ZINC000367629330 168252063 /nfs/dbraw/zinc/25/20/63/168252063.db2.gz BAJOJIXEWNQBKL-GOSISDBHSA-N 2 2 336.443 3.402 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000367666355 168256286 /nfs/dbraw/zinc/25/62/86/168256286.db2.gz MRNNDXGPRFZQPF-LJQANCHMSA-N 2 2 334.460 3.167 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000159078327 225143352 /nfs/dbraw/zinc/14/33/52/225143352.db2.gz DFOPFLSHFFGMEL-SFHVURJKSA-N 2 2 336.451 3.130 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158839881 225094946 /nfs/dbraw/zinc/09/49/46/225094946.db2.gz TZOBCBIMFFUFEG-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158839881 225094950 /nfs/dbraw/zinc/09/49/50/225094950.db2.gz TZOBCBIMFFUFEG-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158839881 225094951 /nfs/dbraw/zinc/09/49/51/225094951.db2.gz TZOBCBIMFFUFEG-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158839881 225094955 /nfs/dbraw/zinc/09/49/55/225094955.db2.gz TZOBCBIMFFUFEG-IIDMSEBBSA-N 2 2 349.906 3.392 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OCC[NH+](C)C)c1 ZINC000163807679 226018654 /nfs/dbraw/zinc/01/86/54/226018654.db2.gz PBQIWHKMELHJIR-KRWDZBQOSA-N 3 2 342.487 3.175 20 0 EGADLP COc1ccc[nH+]c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000677852743 549343256 /nfs/dbraw/zinc/34/32/56/549343256.db2.gz LQBCJMOELVFWLR-UHFFFAOYSA-N 2 2 327.428 3.177 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000164489276 226077376 /nfs/dbraw/zinc/07/73/76/226077376.db2.gz NINNRCMUCQLEBB-FXAWDEMLSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000164489276 226077383 /nfs/dbraw/zinc/07/73/83/226077383.db2.gz NINNRCMUCQLEBB-FXAWDEMLSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489276 226077386 /nfs/dbraw/zinc/07/73/86/226077386.db2.gz NINNRCMUCQLEBB-FXAWDEMLSA-N 3 2 341.499 3.484 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000164489276 226077389 /nfs/dbraw/zinc/07/73/89/226077389.db2.gz NINNRCMUCQLEBB-FXAWDEMLSA-N 3 2 341.499 3.484 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174216681 265032803 /nfs/dbraw/zinc/03/28/03/265032803.db2.gz FZOVKKSIAJCDTK-FUHWJXTLSA-N 2 2 331.504 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000174216681 265032806 /nfs/dbraw/zinc/03/28/06/265032806.db2.gz FZOVKKSIAJCDTK-FUHWJXTLSA-N 2 2 331.504 3.240 20 0 EGADLP CC(C)(C)OC(=O)N1CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000177180464 265237656 /nfs/dbraw/zinc/23/76/56/265237656.db2.gz RINMAHSYLXRCDQ-UHFFFAOYSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@@H+]1C1CC1 ZINC000178103066 265295396 /nfs/dbraw/zinc/29/53/96/265295396.db2.gz ZRGLOEIBYMOUGJ-RHSMWYFYSA-N 2 2 330.472 3.357 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C[N@H+]1C1CC1 ZINC000178103066 265295397 /nfs/dbraw/zinc/29/53/97/265295397.db2.gz ZRGLOEIBYMOUGJ-RHSMWYFYSA-N 2 2 330.472 3.357 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc(OC)c1 ZINC000185674644 265499808 /nfs/dbraw/zinc/49/98/08/265499808.db2.gz FKBZZZKXCMQIGQ-YWZLYKJASA-N 2 2 328.456 3.485 20 0 EGADLP Cc1cc(NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)cc[nH+]1 ZINC000195021801 266154367 /nfs/dbraw/zinc/15/43/67/266154367.db2.gz HJDOGXSSKXOZID-UHFFFAOYSA-N 2 2 338.455 3.173 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000223060519 266196867 /nfs/dbraw/zinc/19/68/67/266196867.db2.gz ZCKOLWNKNMDXDN-MRXNPFEDSA-N 2 2 337.305 3.380 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000223060519 266196868 /nfs/dbraw/zinc/19/68/68/266196868.db2.gz ZCKOLWNKNMDXDN-MRXNPFEDSA-N 2 2 337.305 3.380 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000233483256 266206773 /nfs/dbraw/zinc/20/67/73/266206773.db2.gz LDNRLZGOCRGLHL-XJKSGUPXSA-N 2 2 325.294 3.454 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000233483256 266206776 /nfs/dbraw/zinc/20/67/76/266206776.db2.gz LDNRLZGOCRGLHL-XJKSGUPXSA-N 2 2 325.294 3.454 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274818909 267291571 /nfs/dbraw/zinc/29/15/71/267291571.db2.gz JGHJMHHYWLSAEW-LNLFQRSKSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274818909 267291575 /nfs/dbraw/zinc/29/15/75/267291575.db2.gz JGHJMHHYWLSAEW-LNLFQRSKSA-N 2 2 345.531 3.180 20 0 EGADLP CC(C)Cc1ncc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)s1 ZINC000275519209 267374127 /nfs/dbraw/zinc/37/41/27/267374127.db2.gz KZTRKSBRZKHWDI-BBRMVZONSA-N 2 2 334.489 3.085 20 0 EGADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000278473610 268021929 /nfs/dbraw/zinc/02/19/29/268021929.db2.gz USRDLQDMZJWPNM-KRWDZBQOSA-N 2 2 336.439 3.132 20 0 EGADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000278473610 268021931 /nfs/dbraw/zinc/02/19/31/268021931.db2.gz USRDLQDMZJWPNM-KRWDZBQOSA-N 2 2 336.439 3.132 20 0 EGADLP COc1c(C)c[nH+]c(CN2CCc3c([nH+]cn3-c3ccccc3)C2)c1C ZINC000351066267 274089148 /nfs/dbraw/zinc/08/91/48/274089148.db2.gz SNJUMJJOHFQXOR-UHFFFAOYSA-N 2 2 348.450 3.451 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137404 274356469 /nfs/dbraw/zinc/35/64/69/274356469.db2.gz GPUZVTZPOPMBSA-BEFAXECRSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137404 274356470 /nfs/dbraw/zinc/35/64/70/274356470.db2.gz GPUZVTZPOPMBSA-BEFAXECRSA-N 2 2 345.437 3.403 20 0 EGADLP CC[C@H](CSC)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000091099268 275154030 /nfs/dbraw/zinc/15/40/30/275154030.db2.gz ZUTUYJUSSSVJGB-CVEARBPZSA-N 2 2 335.517 3.087 20 0 EGADLP CC[C@H](CSC)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000091099268 275154031 /nfs/dbraw/zinc/15/40/31/275154031.db2.gz ZUTUYJUSSSVJGB-CVEARBPZSA-N 2 2 335.517 3.087 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000274891028 275248252 /nfs/dbraw/zinc/24/82/52/275248252.db2.gz JIEJMAVLIMETTN-JENIJYKNSA-N 2 2 349.482 3.291 20 0 EGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000274891028 275248254 /nfs/dbraw/zinc/24/82/54/275248254.db2.gz JIEJMAVLIMETTN-JENIJYKNSA-N 2 2 349.482 3.291 20 0 EGADLP CC(=O)Nc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278704330 275267054 /nfs/dbraw/zinc/26/70/54/275267054.db2.gz TXKYXQYFGSTOSP-UHFFFAOYSA-N 2 2 339.439 3.392 20 0 EGADLP CC(C)n1ccnc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278912048 275286916 /nfs/dbraw/zinc/28/69/16/275286916.db2.gz QOMRHFFCCIIFCA-UHFFFAOYSA-N 2 2 327.476 3.376 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279050939 275299395 /nfs/dbraw/zinc/29/93/95/275299395.db2.gz YBTMJUYGUDADMH-RDJZCZTQSA-N 3 2 335.455 3.290 20 0 EGADLP Brc1cccc2c(N3CC[C@@H]([NH+]4CC=CC4)C3)cc[nH+]c12 ZINC000266240870 275373409 /nfs/dbraw/zinc/37/34/09/275373409.db2.gz LEZCOEWQQOXXCW-CYBMUJFWSA-N 2 2 344.256 3.448 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000280013143 275391353 /nfs/dbraw/zinc/39/13/53/275391353.db2.gz SPGKVASOBUOYRW-SOUVJXGZSA-N 2 2 329.444 3.063 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000280048770 275396995 /nfs/dbraw/zinc/39/69/95/275396995.db2.gz XJAXLXBEHGVFCK-MAPXSJPWSA-N 2 2 332.488 3.245 20 0 EGADLP Cc1ccc2[nH+]c(CNc3ccc(N4CC[NH+](C)CC4)cc3C)cn2c1 ZINC000283802710 275752646 /nfs/dbraw/zinc/75/26/46/275752646.db2.gz BUDLPNFSMNNNLI-UHFFFAOYSA-N 2 2 349.482 3.315 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[N@H+](C)Cc1ccccc1 ZINC000286860251 276051161 /nfs/dbraw/zinc/05/11/61/276051161.db2.gz AGFAMNHSLVMOLC-BMFZPTHFSA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[N@@H+](C)Cc1ccccc1 ZINC000286860251 276051162 /nfs/dbraw/zinc/05/11/62/276051162.db2.gz AGFAMNHSLVMOLC-BMFZPTHFSA-N 2 2 330.394 3.206 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000287429485 276119146 /nfs/dbraw/zinc/11/91/46/276119146.db2.gz GMLFGFNOLYGUJY-MAUKXSAKSA-N 2 2 338.455 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000287429485 276119149 /nfs/dbraw/zinc/11/91/49/276119149.db2.gz GMLFGFNOLYGUJY-MAUKXSAKSA-N 2 2 338.455 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000287565313 276133967 /nfs/dbraw/zinc/13/39/67/276133967.db2.gz PVESNOPLCLYVRT-CYBMUJFWSA-N 2 2 344.484 3.328 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000287565313 276133968 /nfs/dbraw/zinc/13/39/68/276133968.db2.gz PVESNOPLCLYVRT-CYBMUJFWSA-N 2 2 344.484 3.328 20 0 EGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(-n2ccnn2)c1 ZINC000287577961 276135571 /nfs/dbraw/zinc/13/55/71/276135571.db2.gz HEHBFOFSZNZDBV-OAHLLOKOSA-N 2 2 346.438 3.427 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000288649150 276238102 /nfs/dbraw/zinc/23/81/02/276238102.db2.gz VAGFLOKFSHDVLD-CQSZACIVSA-N 2 2 340.393 3.056 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3COCC[C@H]32)[nH+]1 ZINC000289256540 276312021 /nfs/dbraw/zinc/31/20/21/276312021.db2.gz FKYRBWJLVLMWNF-SLFFLAALSA-N 2 2 333.435 3.339 20 0 EGADLP c1cn2c(cccc2C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3COCC[C@H]32)[nH+]1 ZINC000289256540 276312023 /nfs/dbraw/zinc/31/20/23/276312023.db2.gz FKYRBWJLVLMWNF-SLFFLAALSA-N 2 2 333.435 3.339 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000289353290 276326409 /nfs/dbraw/zinc/32/64/09/276326409.db2.gz NFMCFKZSKHWISA-UHFFFAOYSA-N 2 2 326.366 3.213 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000289353290 276326410 /nfs/dbraw/zinc/32/64/10/276326410.db2.gz NFMCFKZSKHWISA-UHFFFAOYSA-N 2 2 326.366 3.213 20 0 EGADLP OCc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC000289447500 276340520 /nfs/dbraw/zinc/34/05/20/276340520.db2.gz BJJFNPKPEGNQAI-GOSISDBHSA-N 2 2 328.456 3.164 20 0 EGADLP OCc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000289447500 276340522 /nfs/dbraw/zinc/34/05/22/276340522.db2.gz BJJFNPKPEGNQAI-GOSISDBHSA-N 2 2 328.456 3.164 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000289459868 276342224 /nfs/dbraw/zinc/34/22/24/276342224.db2.gz GCPPCTPSWGOQKL-DYVFJYSZSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289459868 276342227 /nfs/dbraw/zinc/34/22/27/276342227.db2.gz GCPPCTPSWGOQKL-DYVFJYSZSA-N 2 2 345.512 3.224 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000289751023 276388244 /nfs/dbraw/zinc/38/82/44/276388244.db2.gz PXYFWIWUGIWNAI-LJQANCHMSA-N 2 2 329.488 3.236 20 0 EGADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000290543135 276509167 /nfs/dbraw/zinc/50/91/67/276509167.db2.gz APPSHIVOTVTVLN-CXAGYDPISA-N 2 2 331.847 3.188 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128411910 277278545 /nfs/dbraw/zinc/27/85/45/277278545.db2.gz DLCWIJOFZRKVTA-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000128411910 277278548 /nfs/dbraw/zinc/27/85/48/277278548.db2.gz DLCWIJOFZRKVTA-LBPRGKRZSA-N 2 2 330.259 3.006 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246852381 279183952 /nfs/dbraw/zinc/18/39/52/279183952.db2.gz PCRPMKLLDHPVDU-UWVAXJGDSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246852381 279183954 /nfs/dbraw/zinc/18/39/54/279183954.db2.gz PCRPMKLLDHPVDU-UWVAXJGDSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246852381 279183955 /nfs/dbraw/zinc/18/39/55/279183955.db2.gz PCRPMKLLDHPVDU-UWVAXJGDSA-N 2 2 347.547 3.115 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246852381 279183956 /nfs/dbraw/zinc/18/39/56/279183956.db2.gz PCRPMKLLDHPVDU-UWVAXJGDSA-N 2 2 347.547 3.115 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402803 279292824 /nfs/dbraw/zinc/29/28/24/279292824.db2.gz LJAJUPNGUNRUNB-BEFAXECRSA-N 2 2 334.891 3.372 20 0 EGADLP Clc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402803 279292826 /nfs/dbraw/zinc/29/28/26/279292826.db2.gz LJAJUPNGUNRUNB-BEFAXECRSA-N 2 2 334.891 3.372 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018908 288132951 /nfs/dbraw/zinc/13/29/51/288132951.db2.gz SKWOSPUWTHFSPH-ZTFRIQLXSA-N 2 2 343.298 3.489 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018908 288132952 /nfs/dbraw/zinc/13/29/52/288132952.db2.gz SKWOSPUWTHFSPH-ZTFRIQLXSA-N 2 2 343.298 3.489 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1(C)C ZINC000182054690 279812738 /nfs/dbraw/zinc/81/27/38/279812738.db2.gz SBLBLHZWSWLGID-KFKAGJAMSA-N 2 2 331.504 3.400 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1)[NH+](C)C ZINC000357536588 281387604 /nfs/dbraw/zinc/38/76/04/281387604.db2.gz QWAAHVLSTYHGJO-UZLBHIALSA-N 2 2 339.487 3.489 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661786 297145333 /nfs/dbraw/zinc/14/53/33/297145333.db2.gz YAYWPWCADKBLDL-KBEZCGTCSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192661786 297145334 /nfs/dbraw/zinc/14/53/34/297145334.db2.gz YAYWPWCADKBLDL-KBEZCGTCSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccn(C)n1 ZINC000414120778 309062120 /nfs/dbraw/zinc/06/21/20/309062120.db2.gz YLYYHZUBOGIXLG-ZACQAIPSSA-N 2 2 326.488 3.227 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122576 309062249 /nfs/dbraw/zinc/06/22/49/309062249.db2.gz GBTJUEPYQOZXFX-IEBWSBKVSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000414122576 309062250 /nfs/dbraw/zinc/06/22/50/309062250.db2.gz GBTJUEPYQOZXFX-IEBWSBKVSA-N 2 2 326.488 3.373 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414210515 309066877 /nfs/dbraw/zinc/06/68/77/309066877.db2.gz OQYVXBDJWWWIHY-HLAWJBBLSA-N 2 2 338.499 3.293 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000414210515 309066878 /nfs/dbraw/zinc/06/68/78/309066878.db2.gz OQYVXBDJWWWIHY-HLAWJBBLSA-N 2 2 338.499 3.293 20 0 EGADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000414229014 309067661 /nfs/dbraw/zinc/06/76/61/309067661.db2.gz YZYUFFSJMHGZBE-SJORKVTESA-N 2 2 342.405 3.305 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000156302581 307830552 /nfs/dbraw/zinc/83/05/52/307830552.db2.gz CKJUXUOREVNTMS-BOLDSZDNSA-N 2 2 349.438 3.288 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265831 309069408 /nfs/dbraw/zinc/06/94/08/309069408.db2.gz LTMHNLOSNYLDBF-APWZRJJASA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)OCC1CC1 ZINC000414265831 309069409 /nfs/dbraw/zinc/06/94/09/309069409.db2.gz LTMHNLOSNYLDBF-APWZRJJASA-N 2 2 331.504 3.087 20 0 EGADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000414267246 309069565 /nfs/dbraw/zinc/06/95/65/309069565.db2.gz NAHOXHWUCLWXRS-ILZDJORESA-N 2 2 343.471 3.171 20 0 EGADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000414267246 309069566 /nfs/dbraw/zinc/06/95/66/309069566.db2.gz NAHOXHWUCLWXRS-ILZDJORESA-N 2 2 343.471 3.171 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)n1C ZINC000414282624 309070461 /nfs/dbraw/zinc/07/04/61/309070461.db2.gz DFZIHFXSSTYXIX-CQSZACIVSA-N 2 2 326.366 3.269 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367466 309075795 /nfs/dbraw/zinc/07/57/95/309075795.db2.gz QRYOWZMDQUYASL-KSSFIOAISA-N 2 2 348.853 3.360 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000414367466 309075796 /nfs/dbraw/zinc/07/57/96/309075796.db2.gz QRYOWZMDQUYASL-KSSFIOAISA-N 2 2 348.853 3.360 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)n1C ZINC000414386912 309077145 /nfs/dbraw/zinc/07/71/45/309077145.db2.gz ZIASDUGSSWLNES-HNNXBMFYSA-N 2 2 332.423 3.017 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292832600 308070622 /nfs/dbraw/zinc/07/06/22/308070622.db2.gz AREVQDHOVQFSAO-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292832600 308070624 /nfs/dbraw/zinc/07/06/24/308070624.db2.gz AREVQDHOVQFSAO-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292832600 308070625 /nfs/dbraw/zinc/07/06/25/308070625.db2.gz AREVQDHOVQFSAO-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292832600 308070627 /nfs/dbraw/zinc/07/06/27/308070627.db2.gz AREVQDHOVQFSAO-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000292875123 308074993 /nfs/dbraw/zinc/07/49/93/308074993.db2.gz WWDXRRNCBPJJBP-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC(F)F ZINC000292875123 308074994 /nfs/dbraw/zinc/07/49/94/308074994.db2.gz WWDXRRNCBPJJBP-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC(F)F ZINC000292875123 308074995 /nfs/dbraw/zinc/07/49/95/308074995.db2.gz WWDXRRNCBPJJBP-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC(F)F ZINC000292875123 308074996 /nfs/dbraw/zinc/07/49/96/308074996.db2.gz WWDXRRNCBPJJBP-GOSISDBHSA-N 2 2 340.414 3.214 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874145 308075124 /nfs/dbraw/zinc/07/51/24/308075124.db2.gz DMFOBLTUIPYPMF-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874145 308075126 /nfs/dbraw/zinc/07/51/26/308075126.db2.gz DMFOBLTUIPYPMF-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292874145 308075128 /nfs/dbraw/zinc/07/51/28/308075128.db2.gz DMFOBLTUIPYPMF-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874145 308075129 /nfs/dbraw/zinc/07/51/29/308075129.db2.gz DMFOBLTUIPYPMF-BEFAXECRSA-N 2 2 347.528 3.153 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]Cc2cnn(CC(F)F)c2)[NH+]2CCCC2)cc1 ZINC000293015417 308090336 /nfs/dbraw/zinc/09/03/36/308090336.db2.gz PCXKCEPIKQNBJT-GOSISDBHSA-N 2 2 348.441 3.383 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293081480 308097561 /nfs/dbraw/zinc/09/75/61/308097561.db2.gz WHNYCWGUZPSZIK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293081480 308097562 /nfs/dbraw/zinc/09/75/62/308097562.db2.gz WHNYCWGUZPSZIK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293081480 308097563 /nfs/dbraw/zinc/09/75/63/308097563.db2.gz WHNYCWGUZPSZIK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP CC(C)c1cccc(NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293081480 308097564 /nfs/dbraw/zinc/09/75/64/308097564.db2.gz WHNYCWGUZPSZIK-HXUWFJFHSA-N 2 2 329.488 3.166 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087772 308098081 /nfs/dbraw/zinc/09/80/81/308098081.db2.gz WSZUXBBHGRUGHE-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293087772 308098083 /nfs/dbraw/zinc/09/80/83/308098083.db2.gz WSZUXBBHGRUGHE-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293087772 308098085 /nfs/dbraw/zinc/09/80/85/308098085.db2.gz WSZUXBBHGRUGHE-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293087772 308098087 /nfs/dbraw/zinc/09/80/87/308098087.db2.gz WSZUXBBHGRUGHE-DNVCBOLYSA-N 2 2 347.528 3.153 20 0 EGADLP Cc1nc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293145250 308103540 /nfs/dbraw/zinc/10/35/40/308103540.db2.gz BHDYSNWJEJZMKI-MRXNPFEDSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1nc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293145250 308103543 /nfs/dbraw/zinc/10/35/43/308103543.db2.gz BHDYSNWJEJZMKI-MRXNPFEDSA-N 2 2 340.471 3.427 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293692033 308153259 /nfs/dbraw/zinc/15/32/59/308153259.db2.gz QRKGZXHBGJQBRC-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293692033 308153261 /nfs/dbraw/zinc/15/32/61/308153261.db2.gz QRKGZXHBGJQBRC-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293692033 308153262 /nfs/dbraw/zinc/15/32/62/308153262.db2.gz QRKGZXHBGJQBRC-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293692033 308153263 /nfs/dbraw/zinc/15/32/63/308153263.db2.gz QRKGZXHBGJQBRC-SFHVURJKSA-N 2 2 332.879 3.144 20 0 EGADLP C[C@@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)[NH+]1CCCCCC1 ZINC000293822909 308165226 /nfs/dbraw/zinc/16/52/26/308165226.db2.gz DHFFUUXELKULET-WMZOPIPTSA-N 2 2 340.471 3.222 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057103 308186587 /nfs/dbraw/zinc/18/65/87/308186587.db2.gz XLLUGSPOPCCNNW-SFHVURJKSA-N 2 2 329.469 3.353 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057103 308186589 /nfs/dbraw/zinc/18/65/89/308186589.db2.gz XLLUGSPOPCCNNW-SFHVURJKSA-N 2 2 329.469 3.353 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057103 308186590 /nfs/dbraw/zinc/18/65/90/308186590.db2.gz XLLUGSPOPCCNNW-SFHVURJKSA-N 2 2 329.469 3.353 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Sc4ccccn4)o3)C2)C1 ZINC000294057103 308186592 /nfs/dbraw/zinc/18/65/92/308186592.db2.gz XLLUGSPOPCCNNW-SFHVURJKSA-N 2 2 329.469 3.353 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000294107584 308190796 /nfs/dbraw/zinc/19/07/96/308190796.db2.gz COESXAVIRXTFLD-XJKSGUPXSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1Cl ZINC000294107584 308190798 /nfs/dbraw/zinc/19/07/98/308190798.db2.gz COESXAVIRXTFLD-XJKSGUPXSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1Cl ZINC000294107584 308190799 /nfs/dbraw/zinc/19/07/99/308190799.db2.gz COESXAVIRXTFLD-XJKSGUPXSA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000294107584 308190801 /nfs/dbraw/zinc/19/08/01/308190801.db2.gz COESXAVIRXTFLD-XJKSGUPXSA-N 2 2 336.863 3.043 20 0 EGADLP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000295253821 308307948 /nfs/dbraw/zinc/30/79/48/308307948.db2.gz UMAMJHLVPBHASN-AWEZNQCLSA-N 2 2 346.500 3.102 20 0 EGADLP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000295253821 308307949 /nfs/dbraw/zinc/30/79/49/308307949.db2.gz UMAMJHLVPBHASN-AWEZNQCLSA-N 2 2 346.500 3.102 20 0 EGADLP CO[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988681 308382205 /nfs/dbraw/zinc/38/22/05/308382205.db2.gz LJFJTGSFQXNOSN-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988681 308382207 /nfs/dbraw/zinc/38/22/07/308382207.db2.gz LJFJTGSFQXNOSN-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988681 308382209 /nfs/dbraw/zinc/38/22/09/308382209.db2.gz LJFJTGSFQXNOSN-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP CO[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1(C)C ZINC000295988681 308382211 /nfs/dbraw/zinc/38/22/11/308382211.db2.gz LJFJTGSFQXNOSN-VQTJNVASSA-N 2 2 346.515 3.024 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296047819 308388356 /nfs/dbraw/zinc/38/83/56/308388356.db2.gz OJAIUCCOXVVOKJ-UHFFFAOYSA-N 2 2 329.835 3.166 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695455 309095852 /nfs/dbraw/zinc/09/58/52/309095852.db2.gz GMCAOLDBMWQMOX-IEBWSBKVSA-N 3 2 330.520 3.008 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695455 309095853 /nfs/dbraw/zinc/09/58/53/309095853.db2.gz GMCAOLDBMWQMOX-IEBWSBKVSA-N 3 2 330.520 3.008 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000297150232 308503982 /nfs/dbraw/zinc/50/39/82/308503982.db2.gz ZXLRUIMQSYEUBZ-RDJZCZTQSA-N 2 2 333.476 3.310 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000414771420 309099732 /nfs/dbraw/zinc/09/97/32/309099732.db2.gz QVNUKGCRINLNSH-KXBFYZLASA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000414771420 309099733 /nfs/dbraw/zinc/09/97/33/309099733.db2.gz QVNUKGCRINLNSH-KXBFYZLASA-N 2 2 325.456 3.316 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OCC ZINC000414794245 309101818 /nfs/dbraw/zinc/10/18/18/309101818.db2.gz FMXXOHGXEHUUFI-OAHLLOKOSA-N 2 2 326.868 3.354 20 0 EGADLP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000414821385 309103806 /nfs/dbraw/zinc/10/38/06/309103806.db2.gz CCJSMMGVUPTGJG-GFCCVEGCSA-N 2 2 349.219 3.201 20 0 EGADLP C[NH+](C)CCCC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301941600 308722493 /nfs/dbraw/zinc/72/24/93/308722493.db2.gz UZEIMGQJEVLKMK-UHFFFAOYSA-N 2 2 344.507 3.140 20 0 EGADLP CCc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000302119158 308729783 /nfs/dbraw/zinc/72/97/83/308729783.db2.gz XIQUDFUDMQHVNB-UHFFFAOYSA-N 2 2 330.863 3.323 20 0 EGADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329034102 308777180 /nfs/dbraw/zinc/77/71/80/308777180.db2.gz QPFOHJUAYHBSOI-GKDNMFGBSA-N 2 2 344.503 3.029 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)o1 ZINC000414847088 309105263 /nfs/dbraw/zinc/10/52/63/309105263.db2.gz OBZXUDBHMPJACX-KRWDZBQOSA-N 2 2 330.428 3.369 20 0 EGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000333714084 308866478 /nfs/dbraw/zinc/86/64/78/308866478.db2.gz STGLRDZEHQMEHW-QZTJIDSGSA-N 2 2 329.419 3.097 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000414876770 309106803 /nfs/dbraw/zinc/10/68/03/309106803.db2.gz DWXXSHZRORYOPH-OALUTQOASA-N 2 2 332.394 3.209 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895424 309107858 /nfs/dbraw/zinc/10/78/58/309107858.db2.gz WYTHSYPOIZFXGL-SFHVURJKSA-N 2 2 332.879 3.029 20 0 EGADLP Cc1ccc(-n2cc(C[NH2+]C[C@@H]([NH3+])C3CC3)c(C(C)(C)C)n2)cc1 ZINC000414895427 309107895 /nfs/dbraw/zinc/10/78/95/309107895.db2.gz WZEDXZMTAPWZGE-GOSISDBHSA-N 2 2 326.488 3.305 20 0 EGADLP Cn1c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)nc2cc(C(F)(F)F)ccc21 ZINC000414911079 309108784 /nfs/dbraw/zinc/10/87/84/309108784.db2.gz TXKBFTCBJAKMEA-MRXNPFEDSA-N 2 2 340.393 3.071 20 0 EGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414943026 309110487 /nfs/dbraw/zinc/11/04/87/309110487.db2.gz KXGOUJAZWZZGCE-KRWDZBQOSA-N 2 2 334.467 3.344 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1OC ZINC000414950275 309110919 /nfs/dbraw/zinc/11/09/19/309110919.db2.gz DYQYVPROPZXASP-KXBFYZLASA-N 2 2 340.467 3.111 20 0 EGADLP COc1ccccc1C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414956803 309111447 /nfs/dbraw/zinc/11/14/47/309111447.db2.gz VQRVZOPFGOZLIL-YJBOKZPZSA-N 2 2 332.394 3.209 20 0 EGADLP COc1sc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1Br ZINC000415065333 309117986 /nfs/dbraw/zinc/11/79/86/309117986.db2.gz MPFRTJAATIRILK-GFCCVEGCSA-N 2 2 333.295 3.126 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@H]1C[NH3+] ZINC000415122740 309121864 /nfs/dbraw/zinc/12/18/64/309121864.db2.gz IOJWXYJVVWWKIX-NEPJUHHUSA-N 2 2 340.393 3.009 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@@H]1C[NH3+] ZINC000415122740 309121865 /nfs/dbraw/zinc/12/18/65/309121865.db2.gz IOJWXYJVVWWKIX-NEPJUHHUSA-N 2 2 340.393 3.009 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415124852 309122041 /nfs/dbraw/zinc/12/20/41/309122041.db2.gz CTPYRRPXELBZBS-UHFFFAOYSA-N 3 2 343.902 3.423 20 0 EGADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415128073 309122441 /nfs/dbraw/zinc/12/24/41/309122441.db2.gz JMVNLEPHKAZXKJ-AZUAARDMSA-N 3 2 329.532 3.396 20 0 EGADLP C[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000415131478 309122770 /nfs/dbraw/zinc/12/27/70/309122770.db2.gz SIKCFFACHQQKFA-LSDHHAIUSA-N 2 2 331.485 3.139 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000415131478 309122771 /nfs/dbraw/zinc/12/27/71/309122771.db2.gz SIKCFFACHQQKFA-LSDHHAIUSA-N 2 2 331.485 3.139 20 0 EGADLP Cc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000415139912 309123421 /nfs/dbraw/zinc/12/34/21/309123421.db2.gz XSCHYKGULXNMEL-UHFFFAOYSA-N 3 2 337.511 3.387 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000415291588 309129959 /nfs/dbraw/zinc/12/99/59/309129959.db2.gz HNPWBHUOFINTSP-QGZVFWFLSA-N 2 2 343.475 3.455 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416012696 309154652 /nfs/dbraw/zinc/15/46/52/309154652.db2.gz RFMRCBLWGOCJBT-KRWDZBQOSA-N 2 2 341.459 3.382 20 0 EGADLP CCOc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419298106 309263485 /nfs/dbraw/zinc/26/34/85/309263485.db2.gz VJLQFDSHDFLKDT-OAHLLOKOSA-N 2 2 345.487 3.019 20 0 EGADLP Cc1cc(NCc2c[nH+]c(N(C)C)n2C)c[nH+]c1N1CCCC[C@H]1C ZINC000419690270 309271061 /nfs/dbraw/zinc/27/10/61/309271061.db2.gz KGYPHDMJUBYSKY-OAHLLOKOSA-N 2 2 342.491 3.180 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000420269399 309278853 /nfs/dbraw/zinc/27/88/53/309278853.db2.gz HVSACRVLPILKCC-ZDUSSCGKSA-N 2 2 332.469 3.119 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c3ccccc3sc2C(=O)OC)C1 ZINC000420269399 309278854 /nfs/dbraw/zinc/27/88/54/309278854.db2.gz HVSACRVLPILKCC-ZDUSSCGKSA-N 2 2 332.469 3.119 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H](C)[NH3+])c2ccccc2)cc1Br ZINC000420298820 309280121 /nfs/dbraw/zinc/28/01/21/309280121.db2.gz HXAYMVAKQMTFRY-SJCJKPOMSA-N 2 2 349.272 3.484 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301873 309280558 /nfs/dbraw/zinc/28/05/58/309280558.db2.gz VZKPAKGOAFHFIR-KXBFYZLASA-N 2 2 341.430 3.047 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420301873 309280559 /nfs/dbraw/zinc/28/05/59/309280559.db2.gz VZKPAKGOAFHFIR-KXBFYZLASA-N 2 2 341.430 3.047 20 0 EGADLP Cc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000420305096 309280641 /nfs/dbraw/zinc/28/06/41/309280641.db2.gz FWZMURWCGKADNB-KRWDZBQOSA-N 2 2 342.512 3.299 20 0 EGADLP Cc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c(C)n1 ZINC000420305096 309280642 /nfs/dbraw/zinc/28/06/42/309280642.db2.gz FWZMURWCGKADNB-KRWDZBQOSA-N 2 2 342.512 3.299 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000420341039 309283162 /nfs/dbraw/zinc/28/31/62/309283162.db2.gz PSLKZVGXASLAHR-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)[C@@H](C[NH3+])C1 ZINC000420341039 309283163 /nfs/dbraw/zinc/28/31/63/309283163.db2.gz PSLKZVGXASLAHR-OXQOHEQNSA-N 2 2 337.467 3.498 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c(Cl)c1 ZINC000420354361 309283897 /nfs/dbraw/zinc/28/38/97/309283897.db2.gz CYRVQUBDOJAWFL-MRXNPFEDSA-N 2 2 337.895 3.393 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000420359674 309284029 /nfs/dbraw/zinc/28/40/29/309284029.db2.gz GMEZMZKHTDDXTH-JZFYCYHFSA-N 2 2 331.504 3.009 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000420360123 309284041 /nfs/dbraw/zinc/28/40/41/309284041.db2.gz GDNQHRUMLYXHJS-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000420360123 309284042 /nfs/dbraw/zinc/28/40/42/309284042.db2.gz GDNQHRUMLYXHJS-IBGZPJMESA-N 2 2 343.496 3.394 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420394024 309286061 /nfs/dbraw/zinc/28/60/61/309286061.db2.gz CIWIOALABMQNKV-ZLDLUXBVSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000420394024 309286062 /nfs/dbraw/zinc/28/60/62/309286062.db2.gz CIWIOALABMQNKV-ZLDLUXBVSA-N 2 2 332.423 3.162 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408895 309286998 /nfs/dbraw/zinc/28/69/98/309286998.db2.gz WKFQEUBIQMCQKI-RDTXWAMCSA-N 2 2 346.425 3.115 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c(F)c1 ZINC000420408895 309286999 /nfs/dbraw/zinc/28/69/99/309286999.db2.gz WKFQEUBIQMCQKI-RDTXWAMCSA-N 2 2 346.425 3.115 20 0 EGADLP Cc1cc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc(C)[nH+]1 ZINC000420792194 309295101 /nfs/dbraw/zinc/29/51/01/309295101.db2.gz HYLYZRYFPJEHQX-LJQANCHMSA-N 2 2 346.519 3.254 20 0 EGADLP Fc1cccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000420913255 309300792 /nfs/dbraw/zinc/30/07/92/309300792.db2.gz AVFCJMRABPOTPD-UHFFFAOYSA-N 2 2 340.442 3.437 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C2CC3(C2)CCCCC3)[N@H+](Cc2ccccc2)C1 ZINC000421341802 309319170 /nfs/dbraw/zinc/31/91/70/309319170.db2.gz MCQBBUHHLSUIMO-WOJBJXKFSA-N 2 2 328.500 3.324 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]C2CC3(C2)CCCCC3)[N@@H+](Cc2ccccc2)C1 ZINC000421341802 309319171 /nfs/dbraw/zinc/31/91/71/309319171.db2.gz MCQBBUHHLSUIMO-WOJBJXKFSA-N 2 2 328.500 3.324 20 0 EGADLP Cc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000421581422 309330693 /nfs/dbraw/zinc/33/06/93/309330693.db2.gz YSPWMHHCNDNKNR-KRWDZBQOSA-N 2 2 331.847 3.271 20 0 EGADLP COC1([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCCC1 ZINC000421832354 309342249 /nfs/dbraw/zinc/34/22/49/309342249.db2.gz GSRYGCQIIHRESY-MRXNPFEDSA-N 2 2 346.519 3.372 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000422014068 309350892 /nfs/dbraw/zinc/35/08/92/309350892.db2.gz FVIKSXDJSSLGQM-RBUKOAKNSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000422014068 309350893 /nfs/dbraw/zinc/35/08/93/309350893.db2.gz FVIKSXDJSSLGQM-RBUKOAKNSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3CCC(C)(C)CC3)CC2)CC1 ZINC000422022597 309351525 /nfs/dbraw/zinc/35/15/25/309351525.db2.gz OXZDYSLPTAMVON-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3CCC(C)(C)CC3)CC2)CC1 ZINC000422022597 309351526 /nfs/dbraw/zinc/35/15/26/309351526.db2.gz OXZDYSLPTAMVON-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422027092 309351734 /nfs/dbraw/zinc/35/17/34/309351734.db2.gz VQYRUJMWYRJLAH-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000422027092 309351735 /nfs/dbraw/zinc/35/17/35/309351735.db2.gz VQYRUJMWYRJLAH-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@H]1CC[C@H](C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000422025878 309351795 /nfs/dbraw/zinc/35/17/95/309351795.db2.gz SNPMTIXRPBFFNB-WGSAOQKQSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@H]1CC[C@H](C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000422025878 309351796 /nfs/dbraw/zinc/35/17/96/309351796.db2.gz SNPMTIXRPBFFNB-WGSAOQKQSA-N 2 2 349.563 3.221 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423272224 309393416 /nfs/dbraw/zinc/39/34/16/309393416.db2.gz JQXVUXJBNDAGPA-KBPBESRZSA-N 2 2 327.266 3.236 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])ccn2)cc1 ZINC000422708579 309364018 /nfs/dbraw/zinc/36/40/18/309364018.db2.gz JHNTVFHBRSIITD-ROUUACIJSA-N 2 2 327.428 3.242 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])ccn2)cc1 ZINC000422708578 309364023 /nfs/dbraw/zinc/36/40/23/309364023.db2.gz JHNTVFHBRSIITD-QZTJIDSGSA-N 2 2 327.428 3.242 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(OCc2ccccn2)c1 ZINC000422721205 309364849 /nfs/dbraw/zinc/36/48/49/309364849.db2.gz NPYHGDWWVDPXNM-GUXCAODWSA-N 2 2 325.456 3.452 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1Br ZINC000422780409 309367961 /nfs/dbraw/zinc/36/79/61/309367961.db2.gz HCDVFZLZCLTKFT-UHIISALHSA-N 2 2 327.266 3.249 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422788252 309368204 /nfs/dbraw/zinc/36/82/04/309368204.db2.gz QWDXJINGQZZVNW-BEFAXECRSA-N 3 2 335.923 3.282 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422793078 309368466 /nfs/dbraw/zinc/36/84/66/309368466.db2.gz XUVDXHAQKAUKGH-BLIXFSHQSA-N 2 2 342.458 3.466 20 0 EGADLP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422808417 309369635 /nfs/dbraw/zinc/36/96/35/309369635.db2.gz LCZRXNSTFJSJBD-PMACEKPBSA-N 2 2 337.467 3.403 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422813169 309369744 /nfs/dbraw/zinc/36/97/44/309369744.db2.gz RPEUHKGCQHFXSC-HRQSHJORSA-N 3 2 345.531 3.045 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000422813169 309369745 /nfs/dbraw/zinc/36/97/45/309369745.db2.gz RPEUHKGCQHFXSC-HRQSHJORSA-N 3 2 345.531 3.045 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422890291 309374513 /nfs/dbraw/zinc/37/45/13/309374513.db2.gz IBHWDUJHXHEUQP-IEBWSBKVSA-N 3 2 333.520 3.027 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422924501 309376400 /nfs/dbraw/zinc/37/64/00/309376400.db2.gz YQFLKVJNKPCRLL-OAHLLOKOSA-N 2 2 325.460 3.407 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422945496 309377478 /nfs/dbraw/zinc/37/74/78/309377478.db2.gz NGRQWEKZRPEOPL-MNOVXSKESA-N 2 2 335.192 3.020 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422965349 309378835 /nfs/dbraw/zinc/37/88/35/309378835.db2.gz KVXNJLBVBJBOJG-JXFKEZNVSA-N 2 2 332.488 3.002 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422999831 309380225 /nfs/dbraw/zinc/38/02/25/309380225.db2.gz SXWOZFHMTMQKQK-WOUAJJJCSA-N 2 2 332.488 3.042 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000423008835 309380578 /nfs/dbraw/zinc/38/05/78/309380578.db2.gz BFJZOOODJGFCED-DNVCBOLYSA-N 2 2 325.456 3.061 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(=O)N1Cc2ccccc2C1 ZINC000423085461 309385169 /nfs/dbraw/zinc/38/51/69/309385169.db2.gz KQKGCZYBHUOKOK-DQLDELGASA-N 2 2 349.478 3.000 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423093375 309385533 /nfs/dbraw/zinc/38/55/33/309385533.db2.gz HEVOPAJLBOHZGP-ZFZWDLNGSA-N 2 2 342.405 3.308 20 0 EGADLP COCc1nc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(-c2ccccc2)s1 ZINC000423097611 309385706 /nfs/dbraw/zinc/38/57/06/309385706.db2.gz JMSPKOMORGEZQA-UKRRQHHQSA-N 2 2 331.485 3.044 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ncc(Br)cc1F ZINC000423174293 309389124 /nfs/dbraw/zinc/38/91/24/309389124.db2.gz ACIXIMNMNRYCMW-SNVBAGLBSA-N 2 2 330.245 3.295 20 0 EGADLP [NH3+]CC[NH2+][C@@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000423192009 309389886 /nfs/dbraw/zinc/38/98/86/309389886.db2.gz UZZBBOYIPWGRKK-INIZCTEOSA-N 2 2 337.236 3.420 20 0 EGADLP C[NH2+]CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423201260 309390205 /nfs/dbraw/zinc/39/02/05/309390205.db2.gz OGCRZNVEZWJDOF-IBGZPJMESA-N 2 2 346.858 3.400 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423230722 309391480 /nfs/dbraw/zinc/39/14/80/309391480.db2.gz FFTUOMJEWGQMDL-QMTHXVAHSA-N 2 2 329.669 3.431 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233417 309391693 /nfs/dbraw/zinc/39/16/93/309391693.db2.gz JUVMFDRETBIBOQ-SMDDNHRTSA-N 2 2 325.250 3.004 20 0 EGADLP CC[NH2+]CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423245903 309392218 /nfs/dbraw/zinc/39/22/18/309392218.db2.gz MQDJIOVXIMRYHW-QMTHXVAHSA-N 2 2 329.307 3.431 20 0 EGADLP CC[NH2+]CC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000423245905 309392239 /nfs/dbraw/zinc/39/22/39/309392239.db2.gz MQDJIOVXIMRYHW-YGRLFVJLSA-N 2 2 329.307 3.431 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423285216 309394044 /nfs/dbraw/zinc/39/40/44/309394044.db2.gz YAUYWATUKRETJP-QPUJVOFHSA-N 2 2 336.329 3.277 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)C(C)C)c(Br)c1 ZINC000423321150 309395092 /nfs/dbraw/zinc/39/50/92/309395092.db2.gz MWBYZAXPIRUCOU-JKSUJKDBSA-N 2 2 341.293 3.482 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320789 309395112 /nfs/dbraw/zinc/39/51/12/309395112.db2.gz DSSBDUKPMGOYGG-DYVFJYSZSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320789 309395113 /nfs/dbraw/zinc/39/51/13/309395113.db2.gz DSSBDUKPMGOYGG-DYVFJYSZSA-N 2 2 344.484 3.014 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCC1 ZINC000423334367 309395762 /nfs/dbraw/zinc/39/57/62/309395762.db2.gz SVKYUOZJIVSCHO-CYBMUJFWSA-N 2 2 325.250 3.134 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cncc(C)c2)cc1 ZINC000423337446 309395980 /nfs/dbraw/zinc/39/59/80/309395980.db2.gz QZOKJBBTFKKQKZ-YSSFQJQWSA-N 2 2 325.456 3.195 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCCc3occc32)cc1 ZINC000423342748 309396261 /nfs/dbraw/zinc/39/62/61/309396261.db2.gz VPCPOZCZRUGMHK-YTQUADARSA-N 2 2 326.440 3.401 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423384601 309398002 /nfs/dbraw/zinc/39/80/02/309398002.db2.gz QDQFSOCYHKMIGM-BFYDXBDKSA-N 2 2 338.467 3.422 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423399409 309398502 /nfs/dbraw/zinc/39/85/02/309398502.db2.gz PMEPGCJKRCMBJQ-BEFAXECRSA-N 2 2 327.472 3.076 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000423417920 309399519 /nfs/dbraw/zinc/39/95/19/309399519.db2.gz HLYUUGNHRJLWLY-KKSFZXQISA-N 2 2 340.467 3.249 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423423106 309399862 /nfs/dbraw/zinc/39/98/62/309399862.db2.gz KTNYEHAFLLLZNK-HZPDHXFCSA-N 2 2 341.293 3.258 20 0 EGADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Br)cc1Cl ZINC000423446320 309400748 /nfs/dbraw/zinc/40/07/48/309400748.db2.gz YMXCWPQXCGAKNC-UZGDPCLZSA-N 2 2 329.669 3.361 20 0 EGADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423533793 309405426 /nfs/dbraw/zinc/40/54/26/309405426.db2.gz YPFVSKFSCZCNHV-AWEZNQCLSA-N 2 2 327.241 3.307 20 0 EGADLP C[C@H]1CCC[C@H](C)C1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423543291 309405779 /nfs/dbraw/zinc/40/57/79/309405779.db2.gz BUGIADSUPPVYAF-ROUUACIJSA-N 3 2 329.532 3.394 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc2[nH+]c1C1CC1 ZINC000423817865 309414455 /nfs/dbraw/zinc/41/44/55/309414455.db2.gz YQFXAFHXSHFLNF-KUHUBIRLSA-N 2 2 326.444 3.297 20 0 EGADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCc3[nH+]ccn3Cc3ccccc3)C[C@H]2C1 ZINC000424262741 309434977 /nfs/dbraw/zinc/43/49/77/309434977.db2.gz GMDKKZUZMZSHSH-AVCFWEGKSA-N 2 2 339.483 3.267 20 0 EGADLP COC(=O)C1CCC([NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000426030001 309497971 /nfs/dbraw/zinc/49/79/71/309497971.db2.gz MUMMZOAKDCDIBQ-BOMAWHNGSA-N 2 2 332.488 3.308 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1OC(F)F ZINC000427856504 309537138 /nfs/dbraw/zinc/53/71/38/309537138.db2.gz GFRZKNNOZAQGQG-JQWIXIFHSA-N 2 2 325.334 3.289 20 0 EGADLP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000430952173 309621911 /nfs/dbraw/zinc/62/19/11/309621911.db2.gz OVSYKWIRYCREFJ-NSHDSACASA-N 2 2 334.489 3.006 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432245285 309655666 /nfs/dbraw/zinc/65/56/66/309655666.db2.gz ICHXCGRQNMLRRK-CYBMUJFWSA-N 2 2 349.277 3.315 20 0 EGADLP CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)cc1 ZINC000442990877 309893187 /nfs/dbraw/zinc/89/31/87/309893187.db2.gz MQSOYQOVRCFLCV-OXJNMPFZSA-N 2 2 339.483 3.136 20 0 EGADLP CCn1nnc(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000449031894 310031257 /nfs/dbraw/zinc/03/12/57/310031257.db2.gz XTZBHNMHUAWOSO-APWZRJJASA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000449031894 310031258 /nfs/dbraw/zinc/03/12/58/310031258.db2.gz XTZBHNMHUAWOSO-APWZRJJASA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449031894 310031259 /nfs/dbraw/zinc/03/12/59/310031259.db2.gz XTZBHNMHUAWOSO-APWZRJJASA-N 2 2 341.503 3.091 20 0 EGADLP CCn1nnc(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449031894 310031260 /nfs/dbraw/zinc/03/12/60/310031260.db2.gz XTZBHNMHUAWOSO-APWZRJJASA-N 2 2 341.503 3.091 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449048043 310032806 /nfs/dbraw/zinc/03/28/06/310032806.db2.gz OZXPVXGCLMOVSU-MOPGFXCFSA-N 2 2 342.462 3.285 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449048043 310032807 /nfs/dbraw/zinc/03/28/07/310032807.db2.gz OZXPVXGCLMOVSU-MOPGFXCFSA-N 2 2 342.462 3.285 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449048043 310032808 /nfs/dbraw/zinc/03/28/08/310032808.db2.gz OZXPVXGCLMOVSU-MOPGFXCFSA-N 2 2 342.462 3.285 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449048043 310032809 /nfs/dbraw/zinc/03/28/09/310032809.db2.gz OZXPVXGCLMOVSU-MOPGFXCFSA-N 2 2 342.462 3.285 20 0 EGADLP COc1cccc2c(C[NH2+][C@H](C)CC[NH+]3CCOCC3)cccc12 ZINC000449220915 310045535 /nfs/dbraw/zinc/04/55/35/310045535.db2.gz FBDHNWDANASICR-MRXNPFEDSA-N 2 2 328.456 3.049 20 0 EGADLP Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccc(F)cc2)n1 ZINC000449223010 310045716 /nfs/dbraw/zinc/04/57/16/310045716.db2.gz IYOMQHKYXZDFKT-UHFFFAOYSA-N 2 2 339.418 3.213 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449286527 310050380 /nfs/dbraw/zinc/05/03/80/310050380.db2.gz UTFWLMJZJYNFPU-SFHVURJKSA-N 2 2 334.504 3.312 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449286527 310050381 /nfs/dbraw/zinc/05/03/81/310050381.db2.gz UTFWLMJZJYNFPU-SFHVURJKSA-N 2 2 334.504 3.312 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329754 310053902 /nfs/dbraw/zinc/05/39/02/310053902.db2.gz JKPHWVOEDWDLKQ-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(Br)c1F ZINC000449329754 310053903 /nfs/dbraw/zinc/05/39/03/310053903.db2.gz JKPHWVOEDWDLKQ-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(Br)c1F ZINC000449329754 310053904 /nfs/dbraw/zinc/05/39/04/310053904.db2.gz JKPHWVOEDWDLKQ-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(Br)c1F ZINC000449329754 310053905 /nfs/dbraw/zinc/05/39/05/310053905.db2.gz JKPHWVOEDWDLKQ-RISCZKNCSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398463 310058805 /nfs/dbraw/zinc/05/88/05/310058805.db2.gz VAVZPKLMOGZPQI-PRLABOORSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CCC(C(F)(F)F)CC1 ZINC000449398463 310058806 /nfs/dbraw/zinc/05/88/06/310058806.db2.gz VAVZPKLMOGZPQI-PRLABOORSA-N 2 2 336.442 3.180 20 0 EGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000449468491 310064678 /nfs/dbraw/zinc/06/46/78/310064678.db2.gz PLOFYLDKXFAGBD-QAPCUYQASA-N 2 2 329.513 3.494 20 0 EGADLP Cc1ncsc1CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000449468491 310064679 /nfs/dbraw/zinc/06/46/79/310064679.db2.gz PLOFYLDKXFAGBD-QAPCUYQASA-N 2 2 329.513 3.494 20 0 EGADLP COc1cccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449747322 310084000 /nfs/dbraw/zinc/08/40/00/310084000.db2.gz IVDBNDQDNLMJKZ-FUHWJXTLSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449747322 310084001 /nfs/dbraw/zinc/08/40/01/310084001.db2.gz IVDBNDQDNLMJKZ-FUHWJXTLSA-N 2 2 325.456 3.090 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833623 310144919 /nfs/dbraw/zinc/14/49/19/310144919.db2.gz KLZSVKBCBYHYLQ-LEWJYISDSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833623 310144920 /nfs/dbraw/zinc/14/49/20/310144920.db2.gz KLZSVKBCBYHYLQ-LEWJYISDSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833623 310144921 /nfs/dbraw/zinc/14/49/21/310144921.db2.gz KLZSVKBCBYHYLQ-LEWJYISDSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000450833623 310144922 /nfs/dbraw/zinc/14/49/22/310144922.db2.gz KLZSVKBCBYHYLQ-LEWJYISDSA-N 2 2 330.516 3.319 20 0 EGADLP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1 ZINC000453109406 310258542 /nfs/dbraw/zinc/25/85/42/310258542.db2.gz PKXBMAWTDMATFR-NZSAHSFTSA-N 2 2 342.487 3.188 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+][C@@H](C)Cc3cnccn3)ccc2n1C1CC1 ZINC000453213885 310264348 /nfs/dbraw/zinc/26/43/48/310264348.db2.gz MNZFXFGIHFJCSP-AWEZNQCLSA-N 2 2 335.455 3.444 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300831 310269992 /nfs/dbraw/zinc/26/99/92/310269992.db2.gz ZOXBDQWHEFGPLS-IEBWSBKVSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2Cl)C2CC2)C1 ZINC000453300831 310269993 /nfs/dbraw/zinc/26/99/93/310269993.db2.gz ZOXBDQWHEFGPLS-IEBWSBKVSA-N 2 2 336.907 3.098 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000454397924 310307486 /nfs/dbraw/zinc/30/74/86/310307486.db2.gz ZGQMPKCVHMKIQE-AWEZNQCLSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c[nH+]1 ZINC000454397924 310307487 /nfs/dbraw/zinc/30/74/87/310307487.db2.gz ZGQMPKCVHMKIQE-AWEZNQCLSA-N 2 2 332.492 3.008 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455841636 310379089 /nfs/dbraw/zinc/37/90/89/310379089.db2.gz DVUZRDHNNKTLBL-CXAGYDPISA-N 2 2 341.459 3.335 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+]C3CC[NH+](C4CC4)CC3)nc21 ZINC000459566633 310561247 /nfs/dbraw/zinc/56/12/47/310561247.db2.gz WMNOPLZXGAQWNH-UHFFFAOYSA-N 2 2 349.276 3.042 20 0 EGADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000485293576 310975550 /nfs/dbraw/zinc/97/55/50/310975550.db2.gz QPPGKZBQYZRKGY-DNVCBOLYSA-N 2 2 347.478 3.397 20 0 EGADLP COC(=O)Nc1ccc(CC[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000492150886 311221430 /nfs/dbraw/zinc/22/14/30/311221430.db2.gz SCFKQCHUMLGPBY-UHFFFAOYSA-N 2 2 327.428 3.333 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000492745707 311286302 /nfs/dbraw/zinc/28/63/02/311286302.db2.gz RRMXCDZICCIROI-KHPPLWFESA-N 2 2 332.492 3.029 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000492868960 311301113 /nfs/dbraw/zinc/30/11/13/311301113.db2.gz WPDZRDPFKKAMNZ-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000492868960 311301114 /nfs/dbraw/zinc/30/11/14/311301114.db2.gz WPDZRDPFKKAMNZ-JKSUJKDBSA-N 2 2 339.524 3.238 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000492920445 311306973 /nfs/dbraw/zinc/30/69/73/311306973.db2.gz JPHXIQDNVRAIFK-KTKRTIGZSA-N 2 2 332.492 3.029 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)/C=C\c1[nH+]ccn1CC ZINC000493407246 311372209 /nfs/dbraw/zinc/37/22/09/311372209.db2.gz YNYJQARGWJIIBI-KTKRTIGZSA-N 2 2 332.492 3.031 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCC(C)C ZINC000494392367 311474650 /nfs/dbraw/zinc/47/46/50/311474650.db2.gz OFSDNPUPUUICIH-INIZCTEOSA-N 2 2 329.444 3.031 20 0 EGADLP CC[NH+]1CCC(Nc2[nH+]cccc2CNC(=O)OC(C)(C)C)CC1 ZINC000497020778 311802702 /nfs/dbraw/zinc/80/27/02/311802702.db2.gz WWTCURAQSCCIEB-UHFFFAOYSA-N 2 2 334.464 3.003 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H](C)[C@H]3CCCOC3)c(C)c2)CC1 ZINC000507452789 312072969 /nfs/dbraw/zinc/07/29/69/312072969.db2.gz YELCAITZOZXXTL-ROUUACIJSA-N 2 2 331.504 3.364 20 0 EGADLP CCc1ccc([C@H](CO)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000507489203 312074742 /nfs/dbraw/zinc/07/47/42/312074742.db2.gz WOMCWQMOPHVQOD-KRWDZBQOSA-N 2 2 344.421 3.289 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512631406 312191291 /nfs/dbraw/zinc/19/12/91/312191291.db2.gz QRNHAKMSLHHXBY-NJDAHSKKSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512631406 312191293 /nfs/dbraw/zinc/19/12/93/312191293.db2.gz QRNHAKMSLHHXBY-NJDAHSKKSA-N 3 2 329.532 3.219 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000517358857 312375949 /nfs/dbraw/zinc/37/59/49/312375949.db2.gz QEVJFFTUJGIXDV-IEBWSBKVSA-N 2 2 342.483 3.145 20 0 EGADLP COC(=O)C[C@](C)([NH2+]CCc1cc[nH+]cc1C)c1cccc(OC)c1 ZINC000520223117 312497291 /nfs/dbraw/zinc/49/72/91/312497291.db2.gz MCMHBDVXSMSNGB-FQEVSTJZSA-N 2 2 342.439 3.009 20 0 EGADLP C/C(Cl)=C/C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000528510106 313108743 /nfs/dbraw/zinc/10/87/43/313108743.db2.gz XABNJPWGIQBIQO-CJIFTPGHSA-N 2 2 333.907 3.021 20 0 EGADLP C/C(Cl)=C/C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000528510106 313108746 /nfs/dbraw/zinc/10/87/46/313108746.db2.gz XABNJPWGIQBIQO-CJIFTPGHSA-N 2 2 333.907 3.021 20 0 EGADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530218991 313499904 /nfs/dbraw/zinc/49/99/04/313499904.db2.gz YLRVATBTLMLWDG-GJZGRUSLSA-N 2 2 325.378 3.352 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@@H]1C ZINC000536659713 314136346 /nfs/dbraw/zinc/13/63/46/314136346.db2.gz HDJMLMKFGYAKRQ-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@@H]1C ZINC000536659713 314136349 /nfs/dbraw/zinc/13/63/49/314136349.db2.gz HDJMLMKFGYAKRQ-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@@H]1C ZINC000536659713 314136353 /nfs/dbraw/zinc/13/63/53/314136353.db2.gz HDJMLMKFGYAKRQ-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@@H]1C ZINC000536659713 314136357 /nfs/dbraw/zinc/13/63/57/314136357.db2.gz HDJMLMKFGYAKRQ-DAYGRLMNSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@H]1C ZINC000536659715 314136734 /nfs/dbraw/zinc/13/67/34/314136734.db2.gz HDJMLMKFGYAKRQ-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@H]1C ZINC000536659715 314136736 /nfs/dbraw/zinc/13/67/36/314136736.db2.gz HDJMLMKFGYAKRQ-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@H]1C ZINC000536659715 314136739 /nfs/dbraw/zinc/13/67/39/314136739.db2.gz HDJMLMKFGYAKRQ-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2OC)C[C@@H](C)O3)C[C@H]1C ZINC000536659715 314136742 /nfs/dbraw/zinc/13/67/42/314136742.db2.gz HDJMLMKFGYAKRQ-RKVPGOIHSA-N 2 2 332.488 3.323 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832029 314148215 /nfs/dbraw/zinc/14/82/15/314148215.db2.gz IKLOCNHHAUGDNG-JXFKEZNVSA-N 2 2 349.482 3.001 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1c[nH]c2ncccc12 ZINC000536832029 314148217 /nfs/dbraw/zinc/14/82/17/314148217.db2.gz IKLOCNHHAUGDNG-JXFKEZNVSA-N 2 2 349.482 3.001 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870722 314151144 /nfs/dbraw/zinc/15/11/44/314151144.db2.gz PLASNRKRKVANBX-WBMJQRKESA-N 2 2 346.862 3.005 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870722 314151147 /nfs/dbraw/zinc/15/11/47/314151147.db2.gz PLASNRKRKVANBX-WBMJQRKESA-N 2 2 346.862 3.005 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000536883563 314151970 /nfs/dbraw/zinc/15/19/70/314151970.db2.gz WUEZYGXLHMWNJN-ACRUOGEOSA-N 2 2 330.516 3.474 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000536883563 314151974 /nfs/dbraw/zinc/15/19/74/314151974.db2.gz WUEZYGXLHMWNJN-ACRUOGEOSA-N 2 2 330.516 3.474 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC000537019732 314156962 /nfs/dbraw/zinc/15/69/62/314156962.db2.gz OYVLTZXKXRAPGJ-ZDUSSCGKSA-N 2 2 329.400 3.099 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@H](C)C1 ZINC000537455262 314182087 /nfs/dbraw/zinc/18/20/87/314182087.db2.gz BPROTGPKNGJDFC-IEBWSBKVSA-N 2 2 348.535 3.477 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@H](C)C1 ZINC000537455262 314182092 /nfs/dbraw/zinc/18/20/92/314182092.db2.gz BPROTGPKNGJDFC-IEBWSBKVSA-N 2 2 348.535 3.477 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000537991488 314222718 /nfs/dbraw/zinc/22/27/18/314222718.db2.gz ORGRJJOBIBEKIB-XNJGSVPQSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000537991488 314222720 /nfs/dbraw/zinc/22/27/20/314222720.db2.gz ORGRJJOBIBEKIB-XNJGSVPQSA-N 2 2 337.305 3.452 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000539093489 314295749 /nfs/dbraw/zinc/29/57/49/314295749.db2.gz QKORMMKQXHSYSI-DYESRHJHSA-N 2 2 330.516 3.474 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H](C)C1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000539093489 314295752 /nfs/dbraw/zinc/29/57/52/314295752.db2.gz QKORMMKQXHSYSI-DYESRHJHSA-N 2 2 330.516 3.474 20 0 EGADLP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000543447976 314629910 /nfs/dbraw/zinc/62/99/10/314629910.db2.gz KWLZJAPFGLZPCB-NHCUHLMSSA-N 2 2 326.484 3.445 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2C3CC4CC(C3)CC2C4)CC1 ZINC000546619176 314839025 /nfs/dbraw/zinc/83/90/25/314839025.db2.gz VFVZIIWVPFLHTN-UHFFFAOYSA-N 2 2 348.531 3.066 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000549754879 315103453 /nfs/dbraw/zinc/10/34/53/315103453.db2.gz SKWQZFHFXCEHGW-OKZBNKHCSA-N 2 2 336.520 3.495 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000549754879 315103454 /nfs/dbraw/zinc/10/34/54/315103454.db2.gz SKWQZFHFXCEHGW-OKZBNKHCSA-N 2 2 336.520 3.495 20 0 EGADLP CC[C@@H](C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C)[NH+](CC)CC ZINC000549769876 315103960 /nfs/dbraw/zinc/10/39/60/315103960.db2.gz UYTRIRNUGIWIJC-KRWDZBQOSA-N 2 2 342.487 3.187 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1conc1Cc1ccccc1)CCC2 ZINC000550156824 315118438 /nfs/dbraw/zinc/11/84/38/315118438.db2.gz MDQPNKFNTJLCDJ-QGZVFWFLSA-N 2 2 336.439 3.438 20 0 EGADLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)S1 ZINC000551699886 315164297 /nfs/dbraw/zinc/16/42/97/315164297.db2.gz NTDXDXKFYNUPSN-ZHALLVOQSA-N 2 2 334.529 3.103 20 0 EGADLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)S1 ZINC000551699886 315164300 /nfs/dbraw/zinc/16/43/00/315164300.db2.gz NTDXDXKFYNUPSN-ZHALLVOQSA-N 2 2 334.529 3.103 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)c(C)c1OC ZINC000552223221 315207278 /nfs/dbraw/zinc/20/72/78/315207278.db2.gz GBJQXTQJDBUNRE-JKSUJKDBSA-N 2 2 334.504 3.407 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)n1C ZINC000563634534 316049780 /nfs/dbraw/zinc/04/97/80/316049780.db2.gz CWIGWXIVLROSEY-UHFFFAOYSA-N 2 2 347.260 3.305 20 0 EGADLP Cc1nc([C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670207 316053470 /nfs/dbraw/zinc/05/34/70/316053470.db2.gz MYSYZZVWPBWRIH-BBRMVZONSA-N 2 2 349.862 3.414 20 0 EGADLP Cc1nc([C@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)oc1-c1ccc(Cl)cc1 ZINC000563670207 316053474 /nfs/dbraw/zinc/05/34/74/316053474.db2.gz MYSYZZVWPBWRIH-BBRMVZONSA-N 2 2 349.862 3.414 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108626 /nfs/dbraw/zinc/10/86/26/316108626.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108629 /nfs/dbraw/zinc/10/86/29/316108629.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108631 /nfs/dbraw/zinc/10/86/31/316108631.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000564070212 316108634 /nfs/dbraw/zinc/10/86/34/316108634.db2.gz PXIMPWUNAQFMQT-GFOJFJKKSA-N 3 2 329.532 3.215 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)ccn12 ZINC000564352929 316141815 /nfs/dbraw/zinc/14/18/15/316141815.db2.gz YODBJOZPDYTVDQ-NVXWUHKLSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccn12 ZINC000564352929 316141818 /nfs/dbraw/zinc/14/18/18/316141818.db2.gz YODBJOZPDYTVDQ-NVXWUHKLSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667679 316185595 /nfs/dbraw/zinc/18/55/95/316185595.db2.gz WBRSKXYYJJNUDS-ZWNOBZJWSA-N 2 2 340.349 3.067 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000564667679 316185597 /nfs/dbraw/zinc/18/55/97/316185597.db2.gz WBRSKXYYJJNUDS-ZWNOBZJWSA-N 2 2 340.349 3.067 20 0 EGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[nH]1 ZINC000564823292 316212861 /nfs/dbraw/zinc/21/28/61/316212861.db2.gz IXSCUVCANRPRMH-DIECFANBSA-N 2 2 327.476 3.462 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000564844008 316215716 /nfs/dbraw/zinc/21/57/16/316215716.db2.gz HLLKCEOBQGHGFM-UWJYYQICSA-N 2 2 335.451 3.186 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)c1OC ZINC000565156866 316276636 /nfs/dbraw/zinc/27/66/36/316276636.db2.gz MYTYLLKNTDLCRR-CHWSQXEVSA-N 2 2 347.484 3.139 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)cs2)c1OC ZINC000565156866 316276640 /nfs/dbraw/zinc/27/66/40/316276640.db2.gz MYTYLLKNTDLCRR-CHWSQXEVSA-N 2 2 347.484 3.139 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370103 316316004 /nfs/dbraw/zinc/31/60/04/316316004.db2.gz FTQNOWVADHLWNI-WBVHZDCISA-N 2 2 347.528 3.424 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370103 316316006 /nfs/dbraw/zinc/31/60/06/316316006.db2.gz FTQNOWVADHLWNI-WBVHZDCISA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370103 316316008 /nfs/dbraw/zinc/31/60/08/316316008.db2.gz FTQNOWVADHLWNI-WBVHZDCISA-N 2 2 347.528 3.424 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000565370103 316316010 /nfs/dbraw/zinc/31/60/10/316316010.db2.gz FTQNOWVADHLWNI-WBVHZDCISA-N 2 2 347.528 3.424 20 0 EGADLP c1nn(-c2ccccc2)c2nc[nH+]c(NCC3CC[NH+](C4CC4)CC3)c12 ZINC000565989726 316398408 /nfs/dbraw/zinc/39/84/08/316398408.db2.gz FQYKCMGBPWWZHK-UHFFFAOYSA-N 2 2 348.454 3.102 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000162191467 454757096 /nfs/dbraw/zinc/75/70/96/454757096.db2.gz TUJUOAOTKLYZHK-AAEUAGOBSA-N 2 2 341.268 3.346 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566196048 316435115 /nfs/dbraw/zinc/43/51/15/316435115.db2.gz CXGQOSGFKQCLSN-HOCLYGCPSA-N 2 2 326.444 3.349 20 0 EGADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000570380619 317046672 /nfs/dbraw/zinc/04/66/72/317046672.db2.gz QQKSTPVUXWBKBR-QGZVFWFLSA-N 2 2 326.444 3.137 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000570817539 317113219 /nfs/dbraw/zinc/11/32/19/317113219.db2.gz FQGJKPFVPHFWKP-MSOLQXFVSA-N 2 2 340.471 3.263 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000570817539 317113222 /nfs/dbraw/zinc/11/32/22/317113222.db2.gz FQGJKPFVPHFWKP-MSOLQXFVSA-N 2 2 340.471 3.263 20 0 EGADLP c1cn(Cc2ccc(NC3CCC4(CCOCC4)CC3)[nH+]c2)c[nH+]1 ZINC000571247185 317171007 /nfs/dbraw/zinc/17/10/07/317171007.db2.gz WRAJABYCBJTFOS-UHFFFAOYSA-N 2 2 326.444 3.478 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000571414764 317196698 /nfs/dbraw/zinc/19/66/98/317196698.db2.gz YRARBILHLUFMLH-CQSZACIVSA-N 2 2 342.430 3.174 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2nn(CCC(C)C)c3ccccc23)n1C ZINC000571778097 317247232 /nfs/dbraw/zinc/24/72/32/317247232.db2.gz FDDORBOJNGELHR-UHFFFAOYSA-N 2 2 325.460 3.414 20 0 EGADLP COc1cccc2c(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)cc[nH+]c12 ZINC000571981652 317274053 /nfs/dbraw/zinc/27/40/53/317274053.db2.gz CRQOKBIDYLEOON-QZTJIDSGSA-N 2 2 341.455 3.299 20 0 EGADLP COc1cc(F)c(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1OC ZINC000572651106 317370511 /nfs/dbraw/zinc/37/05/11/317370511.db2.gz MKOQVLNPYOHHEW-UHFFFAOYSA-N 2 2 326.456 3.441 20 0 EGADLP Fc1ccc(Br)c2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000186199918 455715684 /nfs/dbraw/zinc/71/56/84/455715684.db2.gz DLLYFYDESWCEGT-UHFFFAOYSA-N 2 2 338.224 3.233 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3F)C[C@H]21 ZINC000228471711 456123670 /nfs/dbraw/zinc/12/36/70/456123670.db2.gz FKDHNUZZVUFWEZ-WDBKCZKBSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3F)C[C@H]21 ZINC000228471711 456123674 /nfs/dbraw/zinc/12/36/74/456123674.db2.gz FKDHNUZZVUFWEZ-WDBKCZKBSA-N 2 2 327.241 3.147 20 0 EGADLP Fc1cccc(Cl)c1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000171961867 323263022 /nfs/dbraw/zinc/26/30/22/323263022.db2.gz PPTDPQCGGWJFKN-OAHLLOKOSA-N 2 2 340.870 3.066 20 0 EGADLP Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000171961867 323263025 /nfs/dbraw/zinc/26/30/25/323263025.db2.gz PPTDPQCGGWJFKN-OAHLLOKOSA-N 2 2 340.870 3.066 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000174629115 323308613 /nfs/dbraw/zinc/30/86/13/323308613.db2.gz FEXUPDWJTYAACB-DOMZBBRYSA-N 2 2 341.293 3.278 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000174629115 323308616 /nfs/dbraw/zinc/30/86/16/323308616.db2.gz FEXUPDWJTYAACB-DOMZBBRYSA-N 2 2 341.293 3.278 20 0 EGADLP CSc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000179477369 323390319 /nfs/dbraw/zinc/39/03/19/323390319.db2.gz VJATXXFFTBWJNC-YOEHRIQHSA-N 2 2 344.484 3.127 20 0 EGADLP CSc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000179477369 323390322 /nfs/dbraw/zinc/39/03/22/323390322.db2.gz VJATXXFFTBWJNC-YOEHRIQHSA-N 2 2 344.484 3.127 20 0 EGADLP COC[C@@H]([NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CCOCC1 ZINC000188011233 323758247 /nfs/dbraw/zinc/75/82/47/323758247.db2.gz QUFLNJZRIPWDEV-VQIMIIECSA-N 2 2 334.504 3.147 20 0 EGADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000381408904 324246418 /nfs/dbraw/zinc/24/64/18/324246418.db2.gz XHRGWGSHBGNONA-HUUCEWRRSA-N 2 2 344.459 3.264 20 0 EGADLP CCC[C@H](C(=O)OCC)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309236 324255017 /nfs/dbraw/zinc/25/50/17/324255017.db2.gz GDCUHVBJUGJLQR-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@H](C(=O)OCC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383309236 324255020 /nfs/dbraw/zinc/25/50/20/324255020.db2.gz GDCUHVBJUGJLQR-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@H](C(=O)OCC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383309236 324255026 /nfs/dbraw/zinc/25/50/26/324255026.db2.gz GDCUHVBJUGJLQR-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP CCC[C@H](C(=O)OCC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383309236 324255032 /nfs/dbraw/zinc/25/50/32/324255032.db2.gz GDCUHVBJUGJLQR-RBUKOAKNSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332933 324256578 /nfs/dbraw/zinc/25/65/78/324256578.db2.gz OCFAQZDSYFPNCB-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332933 324256582 /nfs/dbraw/zinc/25/65/82/324256582.db2.gz OCFAQZDSYFPNCB-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383332933 324256585 /nfs/dbraw/zinc/25/65/85/324256585.db2.gz OCFAQZDSYFPNCB-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383332933 324256588 /nfs/dbraw/zinc/25/65/88/324256588.db2.gz OCFAQZDSYFPNCB-RTBURBONSA-N 2 2 332.488 3.172 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Br)ccc1F)C2 ZINC000311582993 456588949 /nfs/dbraw/zinc/58/89/49/456588949.db2.gz OYZTYQNPQDKDIW-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Br)ccc1F)C2 ZINC000311582993 456588958 /nfs/dbraw/zinc/58/89/58/456588958.db2.gz OYZTYQNPQDKDIW-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000576850462 324694411 /nfs/dbraw/zinc/69/44/11/324694411.db2.gz CWLRGMVYHCEMON-GQIGUUNPSA-N 2 2 337.467 3.415 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccon1 ZINC000576923266 324706521 /nfs/dbraw/zinc/70/65/21/324706521.db2.gz NXVPLZSZOQFINS-PBHICJAKSA-N 2 2 327.428 3.313 20 0 EGADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000577189802 324760484 /nfs/dbraw/zinc/76/04/84/324760484.db2.gz YPMICVAGELYGMX-OAHLLOKOSA-N 2 2 335.411 3.083 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000579448753 325111283 /nfs/dbraw/zinc/11/12/83/325111283.db2.gz UFPHMYRCMDTHGW-IBGZPJMESA-N 2 2 338.411 3.091 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579975295 325186230 /nfs/dbraw/zinc/18/62/30/325186230.db2.gz OIKDSBHBCJULCW-FGTMMUONSA-N 2 2 349.906 3.028 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000579975295 325186234 /nfs/dbraw/zinc/18/62/34/325186234.db2.gz OIKDSBHBCJULCW-FGTMMUONSA-N 2 2 349.906 3.028 20 0 EGADLP C[NH+](C)CCCCC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000581544770 325370143 /nfs/dbraw/zinc/37/01/43/325370143.db2.gz YFXABWXPPFMGSL-UHFFFAOYSA-N 2 2 342.487 3.076 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@H]1CC[NH3+] ZINC000404343218 457540932 /nfs/dbraw/zinc/54/09/32/457540932.db2.gz FUYNQJBIKRLXLT-FZMZJTMJSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@H]1CC[NH3+] ZINC000404343218 457540936 /nfs/dbraw/zinc/54/09/36/457540936.db2.gz FUYNQJBIKRLXLT-FZMZJTMJSA-N 2 2 344.286 3.381 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000361236205 457660984 /nfs/dbraw/zinc/66/09/84/457660984.db2.gz ICICXMOSUXJOCJ-IAGOWNOFSA-N 2 2 326.525 3.058 20 0 EGADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1nccn1C ZINC000183128758 455235393 /nfs/dbraw/zinc/23/53/93/455235393.db2.gz IAWKCLSRBLOOGR-ZACQAIPSSA-N 2 2 326.488 3.227 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138854 455237030 /nfs/dbraw/zinc/23/70/30/455237030.db2.gz KFEUDAZZXCCTDB-HOJAQTOUSA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138854 455237033 /nfs/dbraw/zinc/23/70/33/455237033.db2.gz KFEUDAZZXCCTDB-HOJAQTOUSA-N 2 2 325.456 3.373 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Nc3cccc(C)[nH+]3)C2)cc(OC)c1 ZINC000157940393 455251598 /nfs/dbraw/zinc/25/15/98/455251598.db2.gz SUZBQQJJWIQJFU-INIZCTEOSA-N 2 2 327.428 3.094 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Nc3cccc(C)[nH+]3)C2)cc(OC)c1 ZINC000157940393 455251602 /nfs/dbraw/zinc/25/16/02/455251602.db2.gz SUZBQQJJWIQJFU-INIZCTEOSA-N 2 2 327.428 3.094 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000183249895 455261583 /nfs/dbraw/zinc/26/15/83/455261583.db2.gz ZSMQPQVOZHQURK-FQEVSTJZSA-N 2 2 338.499 3.434 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183343813 455280257 /nfs/dbraw/zinc/28/02/57/455280257.db2.gz LPJIVLIWSJNJTR-CYBMUJFWSA-N 2 2 334.357 3.150 20 0 EGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183662434 455317679 /nfs/dbraw/zinc/31/76/79/455317679.db2.gz IUBXUJHDDCUNLX-HZPDHXFCSA-N 2 2 336.480 3.041 20 0 EGADLP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000015142209 453559646 /nfs/dbraw/zinc/55/96/46/453559646.db2.gz ODKNHYOCKOOLRO-UHFFFAOYSA-N 2 2 340.471 3.239 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000031232507 453842571 /nfs/dbraw/zinc/84/25/71/453842571.db2.gz OBTGVRIKGACJKF-UHFFFAOYSA-N 2 2 336.439 3.299 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCNC(=O)c2ccc(C)cc2)n1-c1ccccc1 ZINC000081292638 453856396 /nfs/dbraw/zinc/85/63/96/453856396.db2.gz XZDYLWNGBCWQLQ-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569469 453888933 /nfs/dbraw/zinc/88/89/33/453888933.db2.gz RRGUMZMIBUWHMQ-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569469 453888935 /nfs/dbraw/zinc/88/89/35/453888935.db2.gz RRGUMZMIBUWHMQ-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569469 453888938 /nfs/dbraw/zinc/88/89/38/453888938.db2.gz RRGUMZMIBUWHMQ-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000081569469 453888940 /nfs/dbraw/zinc/88/89/40/453888940.db2.gz RRGUMZMIBUWHMQ-ZWKOTPCHSA-N 2 2 343.515 3.018 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081633566 453899118 /nfs/dbraw/zinc/89/91/18/453899118.db2.gz QYPWIDJGXQKWQD-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081633566 453899122 /nfs/dbraw/zinc/89/91/22/453899122.db2.gz QYPWIDJGXQKWQD-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000081633566 453899124 /nfs/dbraw/zinc/89/91/24/453899124.db2.gz QYPWIDJGXQKWQD-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000081633566 453899128 /nfs/dbraw/zinc/89/91/28/453899128.db2.gz QYPWIDJGXQKWQD-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000075686514 453918884 /nfs/dbraw/zinc/91/88/84/453918884.db2.gz IKSYMMKPVGJOSJ-SFHVURJKSA-N 2 2 334.423 3.329 20 0 EGADLP C[C@H](C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1)Cn1cc[nH+]c1 ZINC000067500397 453935906 /nfs/dbraw/zinc/93/59/06/453935906.db2.gz JMVUUOKVUDNASO-OAHLLOKOSA-N 2 2 349.438 3.456 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083470981 453949649 /nfs/dbraw/zinc/94/96/49/453949649.db2.gz MXAUKGASIGMFCY-CYBMUJFWSA-N 2 2 337.514 3.072 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069293 453955590 /nfs/dbraw/zinc/95/55/90/453955590.db2.gz ZQJUCOCEKWHPDU-HFAKWTLXSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069293 453955592 /nfs/dbraw/zinc/95/55/92/453955592.db2.gz ZQJUCOCEKWHPDU-HFAKWTLXSA-N 2 2 329.257 3.407 20 0 EGADLP CCn1ccnc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108633 453964602 /nfs/dbraw/zinc/96/46/02/453964602.db2.gz WXNRDQMFTFRBKH-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP CCn1ccnc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108633 453964604 /nfs/dbraw/zinc/96/46/04/453964604.db2.gz WXNRDQMFTFRBKH-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP COc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)ccc1Cl ZINC000623576214 460621584 /nfs/dbraw/zinc/62/15/84/460621584.db2.gz LIWPTCLDQOSPES-UHFFFAOYSA-N 2 2 332.822 3.415 20 0 EGADLP CCc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(-c2ccncc2)[nH+]1 ZINC000068668477 454043506 /nfs/dbraw/zinc/04/35/06/454043506.db2.gz WLDXKEZPLQRZJW-HNNXBMFYSA-N 2 2 325.460 3.245 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000076865951 454044369 /nfs/dbraw/zinc/04/43/69/454044369.db2.gz ZUPGUTIDPKKNNP-UHFFFAOYSA-N 2 2 344.418 3.063 20 0 EGADLP Cn1c(CCC[NH2+]Cc2cc3ccccc3[nH]c2=O)[nH+]c2ccccc21 ZINC000076900976 454047104 /nfs/dbraw/zinc/04/71/04/454047104.db2.gz HPOMADIKGGDETP-UHFFFAOYSA-N 2 2 346.434 3.137 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000058264095 454175407 /nfs/dbraw/zinc/17/54/07/454175407.db2.gz ZECTZPSTAVZCNQ-GOSISDBHSA-N 2 2 327.815 3.349 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000095981719 454249027 /nfs/dbraw/zinc/24/90/27/454249027.db2.gz XDMFVFPMTCZCMA-PXNSSMCTSA-N 2 2 335.455 3.211 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000095981719 454249032 /nfs/dbraw/zinc/24/90/32/454249032.db2.gz XDMFVFPMTCZCMA-PXNSSMCTSA-N 2 2 335.455 3.211 20 0 EGADLP CC(C)c1cc(NC2CCN(CC[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000090070661 454272540 /nfs/dbraw/zinc/27/25/40/454272540.db2.gz KIXNLQBLJMEVRY-UHFFFAOYSA-N 2 2 333.524 3.161 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131665529 454275057 /nfs/dbraw/zinc/27/50/57/454275057.db2.gz USEBYRFJWXXVKP-APWZRJJASA-N 2 2 339.439 3.179 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000131665529 454275062 /nfs/dbraw/zinc/27/50/62/454275062.db2.gz USEBYRFJWXXVKP-APWZRJJASA-N 2 2 339.439 3.179 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000131761068 454283535 /nfs/dbraw/zinc/28/35/35/454283535.db2.gz PVHBEPRLFFFGSQ-APWZRJJASA-N 2 2 345.487 3.104 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000131761068 454283539 /nfs/dbraw/zinc/28/35/39/454283539.db2.gz PVHBEPRLFFFGSQ-APWZRJJASA-N 2 2 345.487 3.104 20 0 EGADLP Cc1cn2c(C[NH2+]CCn3c(C)[nH+]c4ccccc43)c(C)nc2s1 ZINC000078778242 454316621 /nfs/dbraw/zinc/31/66/21/454316621.db2.gz JNIGUIJEBVCMBQ-UHFFFAOYSA-N 2 2 339.468 3.461 20 0 EGADLP c1ccc(CSCCC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000090548916 454318427 /nfs/dbraw/zinc/31/84/27/454318427.db2.gz RGDKVQNKMLMRCD-FQEVSTJZSA-N 2 2 348.556 3.354 20 0 EGADLP c1ccc(CSCCC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000090548916 454318432 /nfs/dbraw/zinc/31/84/32/454318432.db2.gz RGDKVQNKMLMRCD-FQEVSTJZSA-N 2 2 348.556 3.354 20 0 EGADLP CC[N@H+](CCCNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000061113994 454328041 /nfs/dbraw/zinc/32/80/41/454328041.db2.gz QYVLFMQPGOMOHW-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP CC[N@@H+](CCCNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000061113994 454328046 /nfs/dbraw/zinc/32/80/46/454328046.db2.gz QYVLFMQPGOMOHW-UHFFFAOYSA-N 2 2 346.519 3.077 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]CCn3cc[nH+]c3)cc2)cs1 ZINC000061555636 454346013 /nfs/dbraw/zinc/34/60/13/454346013.db2.gz KLNFETWJBVFRNM-UHFFFAOYSA-N 2 2 328.441 3.017 20 0 EGADLP c1cn(-c2ccc(CNc3ccccc3C[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000120969609 454371470 /nfs/dbraw/zinc/37/14/70/454371470.db2.gz YHLLEUZFXMGSCT-UHFFFAOYSA-N 2 2 348.450 3.317 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000097139199 454413943 /nfs/dbraw/zinc/41/39/43/454413943.db2.gz ZZYIVEPDHOTRII-CYBMUJFWSA-N 2 2 338.377 3.289 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000097139199 454413949 /nfs/dbraw/zinc/41/39/49/454413949.db2.gz ZZYIVEPDHOTRII-CYBMUJFWSA-N 2 2 338.377 3.289 20 0 EGADLP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000101588583 454475552 /nfs/dbraw/zinc/47/55/52/454475552.db2.gz RDMBPQJGWHORGX-UHFFFAOYSA-N 2 2 343.349 3.013 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960198 454495266 /nfs/dbraw/zinc/49/52/66/454495266.db2.gz XSAVOBNIEOXZIB-HIFRSBDPSA-N 2 2 327.457 3.418 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960198 454495269 /nfs/dbraw/zinc/49/52/69/454495269.db2.gz XSAVOBNIEOXZIB-HIFRSBDPSA-N 2 2 327.457 3.418 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000091959815 454496278 /nfs/dbraw/zinc/49/62/78/454496278.db2.gz ZHOSPGCWEGWTHL-KHYOSLBOSA-N 2 2 341.455 3.298 20 0 EGADLP COc1cc2c(c(C[N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c1)O[C@H](C)C2 ZINC000091959815 454496281 /nfs/dbraw/zinc/49/62/81/454496281.db2.gz ZHOSPGCWEGWTHL-KHYOSLBOSA-N 2 2 341.455 3.298 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC(F)F ZINC000092072691 454515490 /nfs/dbraw/zinc/51/54/90/454515490.db2.gz ZWHKECNSCIKZIO-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OC(F)F ZINC000092072691 454515496 /nfs/dbraw/zinc/51/54/96/454515496.db2.gz ZWHKECNSCIKZIO-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)o1 ZINC000080202696 454549316 /nfs/dbraw/zinc/54/93/16/454549316.db2.gz XKIIAZZEOVZHDX-UHFFFAOYSA-N 2 2 344.455 3.314 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)o1 ZINC000080202696 454549321 /nfs/dbraw/zinc/54/93/21/454549321.db2.gz XKIIAZZEOVZHDX-UHFFFAOYSA-N 2 2 344.455 3.314 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cnn1C(C)(C)C ZINC000191155293 455455089 /nfs/dbraw/zinc/45/50/89/455455089.db2.gz UVNCNLHHNKIOQO-AWEZNQCLSA-N 2 2 325.460 3.488 20 0 EGADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867385 454601393 /nfs/dbraw/zinc/60/13/93/454601393.db2.gz DKBQVVPQAYLGOM-QUCCMNQESA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867385 454601395 /nfs/dbraw/zinc/60/13/95/454601395.db2.gz DKBQVVPQAYLGOM-QUCCMNQESA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867385 454601399 /nfs/dbraw/zinc/60/13/99/454601399.db2.gz DKBQVVPQAYLGOM-QUCCMNQESA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCCC1CCCCC1 ZINC000134867385 454601402 /nfs/dbraw/zinc/60/14/02/454601402.db2.gz DKBQVVPQAYLGOM-QUCCMNQESA-N 2 2 347.547 3.022 20 0 EGADLP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000134929221 454611424 /nfs/dbraw/zinc/61/14/24/454611424.db2.gz UGFKCIIGVYJITB-YLJYHZDGSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000134929221 454611428 /nfs/dbraw/zinc/61/14/28/454611428.db2.gz UGFKCIIGVYJITB-YLJYHZDGSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000134929221 454611431 /nfs/dbraw/zinc/61/14/31/454611431.db2.gz UGFKCIIGVYJITB-YLJYHZDGSA-N 2 2 347.547 3.116 20 0 EGADLP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000134929221 454611434 /nfs/dbraw/zinc/61/14/34/454611434.db2.gz UGFKCIIGVYJITB-YLJYHZDGSA-N 2 2 347.547 3.116 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000635001120 460646040 /nfs/dbraw/zinc/64/60/40/460646040.db2.gz HJUFXSRHRSNXSP-UHFFFAOYSA-N 2 2 334.847 3.146 20 0 EGADLP COC(=O)[C@H](c1ccccc1F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123522350 454647088 /nfs/dbraw/zinc/64/70/88/454647088.db2.gz RORAYHDHBIOEIA-SFHVURJKSA-N 2 2 336.451 3.094 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000123684885 454664220 /nfs/dbraw/zinc/66/42/20/454664220.db2.gz DYQZGVMUTKWWHM-SFHVURJKSA-N 3 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000123684885 454664226 /nfs/dbraw/zinc/66/42/26/454664226.db2.gz DYQZGVMUTKWWHM-SFHVURJKSA-N 3 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000123684885 454664228 /nfs/dbraw/zinc/66/42/28/454664228.db2.gz DYQZGVMUTKWWHM-SFHVURJKSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000123684885 454664230 /nfs/dbraw/zinc/66/42/30/454664230.db2.gz DYQZGVMUTKWWHM-SFHVURJKSA-N 2 2 335.455 3.061 20 0 EGADLP COc1ccc(Br)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000135406649 454673919 /nfs/dbraw/zinc/67/39/19/454673919.db2.gz IAWBARZQVIONEK-UHFFFAOYSA-N 2 2 341.293 3.423 20 0 EGADLP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000635004786 460648130 /nfs/dbraw/zinc/64/81/30/460648130.db2.gz FRFSXTSCQTZTHC-RZDIXWSQSA-N 3 2 335.923 3.412 20 0 EGADLP CN(C)c1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336908 454704170 /nfs/dbraw/zinc/70/41/70/454704170.db2.gz BBSUJIBUHIVXBE-KRWDZBQOSA-N 2 2 344.528 3.163 20 0 EGADLP CN(C)c1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000093336908 454704174 /nfs/dbraw/zinc/70/41/74/454704174.db2.gz BBSUJIBUHIVXBE-KRWDZBQOSA-N 2 2 344.528 3.163 20 0 EGADLP CN(C)c1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000093336908 454704177 /nfs/dbraw/zinc/70/41/77/454704177.db2.gz BBSUJIBUHIVXBE-KRWDZBQOSA-N 2 2 344.528 3.163 20 0 EGADLP CN(C)c1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000093336908 454704181 /nfs/dbraw/zinc/70/41/81/454704181.db2.gz BBSUJIBUHIVXBE-KRWDZBQOSA-N 2 2 344.528 3.163 20 0 EGADLP COc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)c2ccccc12 ZINC000124287064 454713672 /nfs/dbraw/zinc/71/36/72/454713672.db2.gz WMLSACADGRVSHS-INIZCTEOSA-N 2 2 328.456 3.049 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000124317461 454717696 /nfs/dbraw/zinc/71/76/96/454717696.db2.gz YBXOTWIYLONZBK-UHFFFAOYSA-N 2 2 334.851 3.114 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000124317461 454717701 /nfs/dbraw/zinc/71/77/01/454717701.db2.gz YBXOTWIYLONZBK-UHFFFAOYSA-N 2 2 334.851 3.114 20 0 EGADLP Cn1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000635007919 460651101 /nfs/dbraw/zinc/65/11/01/460651101.db2.gz BSNIWMRGYWWPRP-AEFFLSMTSA-N 2 2 330.451 3.016 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124458049 454735496 /nfs/dbraw/zinc/73/54/96/454735496.db2.gz LGYFQZDOBGYMIO-MRXNPFEDSA-N 2 2 336.439 3.385 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124458049 454735502 /nfs/dbraw/zinc/73/55/02/454735502.db2.gz LGYFQZDOBGYMIO-MRXNPFEDSA-N 2 2 336.439 3.385 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865686 454741559 /nfs/dbraw/zinc/74/15/59/454741559.db2.gz RRXMPYVVBWSNGW-LJQANCHMSA-N 2 2 334.423 3.433 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865686 454741561 /nfs/dbraw/zinc/74/15/61/454741561.db2.gz RRXMPYVVBWSNGW-LJQANCHMSA-N 2 2 334.423 3.433 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124526097 454743583 /nfs/dbraw/zinc/74/35/83/454743583.db2.gz KZDFAUJNRYAMCZ-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)CC1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124526097 454743584 /nfs/dbraw/zinc/74/35/84/454743584.db2.gz KZDFAUJNRYAMCZ-UXHICEINSA-N 2 2 349.563 3.362 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)Oc1cccc(F)c1 ZINC000124595007 454750922 /nfs/dbraw/zinc/75/09/22/454750922.db2.gz BREBTELKKGQPKB-INIZCTEOSA-N 2 2 343.446 3.242 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000162191467 454757094 /nfs/dbraw/zinc/75/70/94/454757094.db2.gz TUJUOAOTKLYZHK-AAEUAGOBSA-N 2 2 341.268 3.346 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000153157555 454765379 /nfs/dbraw/zinc/76/53/79/454765379.db2.gz JWQHSBSMONMISJ-ZIAGYGMSSA-N 2 2 341.293 3.068 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1OC(F)F ZINC000125469048 454824659 /nfs/dbraw/zinc/82/46/59/454824659.db2.gz DLBMZBCITVOQDU-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1OC(F)F ZINC000125469048 454824662 /nfs/dbraw/zinc/82/46/62/454824662.db2.gz DLBMZBCITVOQDU-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125533181 454830146 /nfs/dbraw/zinc/83/01/46/454830146.db2.gz CFFUVWVITINOTC-HNNXBMFYSA-N 2 2 348.441 3.151 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125533181 454830149 /nfs/dbraw/zinc/83/01/49/454830149.db2.gz CFFUVWVITINOTC-HNNXBMFYSA-N 2 2 348.441 3.151 20 0 EGADLP CCc1noc([C@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000109765032 454835359 /nfs/dbraw/zinc/83/53/59/454835359.db2.gz AFPJUALKOOPWQX-LBPRGKRZSA-N 2 2 325.416 3.449 20 0 EGADLP CCCN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC[NH2+]CC1 ZINC000163271730 454835562 /nfs/dbraw/zinc/83/55/62/454835562.db2.gz GPYSCKGBYTUTDY-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP CCc1noc([C@@H](C)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000109765029 454836111 /nfs/dbraw/zinc/83/61/11/454836111.db2.gz AFPJUALKOOPWQX-GFCCVEGCSA-N 2 2 325.416 3.449 20 0 EGADLP C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000109793742 454837271 /nfs/dbraw/zinc/83/72/71/454837271.db2.gz CSNLABMKQNJLOQ-CQSZACIVSA-N 2 2 346.862 3.051 20 0 EGADLP Cn1c[nH+]cc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000177226145 454839380 /nfs/dbraw/zinc/83/93/80/454839380.db2.gz YJDKXGWRWYSXOF-UHFFFAOYSA-N 2 2 346.478 3.327 20 0 EGADLP COc1cccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000177228435 454840326 /nfs/dbraw/zinc/84/03/26/454840326.db2.gz PUEMTYWEROIMNH-QGZVFWFLSA-N 2 2 340.467 3.378 20 0 EGADLP CO[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000163492159 454850989 /nfs/dbraw/zinc/85/09/89/454850989.db2.gz JEASYCMUQBWBKI-KRWDZBQOSA-N 2 2 346.394 3.010 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000154256396 454879409 /nfs/dbraw/zinc/87/94/09/454879409.db2.gz VFCZSBFMDPUSNZ-TZMCWYRMSA-N 2 2 338.398 3.014 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000164959130 454891494 /nfs/dbraw/zinc/89/14/94/454891494.db2.gz NSMGIBHRHPSBGF-YLJYHZDGSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000164959130 454891499 /nfs/dbraw/zinc/89/14/99/454891499.db2.gz NSMGIBHRHPSBGF-YLJYHZDGSA-N 2 2 337.467 3.268 20 0 EGADLP CN(CCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000154389114 454891944 /nfs/dbraw/zinc/89/19/44/454891944.db2.gz ILBOBGXJOQNDAP-UHFFFAOYSA-N 2 2 338.499 3.162 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000150835277 454899456 /nfs/dbraw/zinc/89/94/56/454899456.db2.gz QFJKQSBVHRJFHL-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000150835277 454899459 /nfs/dbraw/zinc/89/94/59/454899459.db2.gz QFJKQSBVHRJFHL-ZWKOTPCHSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H]1C[N@H+](C)CCO1 ZINC000126514230 454899979 /nfs/dbraw/zinc/89/99/79/454899979.db2.gz JGWFFOXIXPGOCC-MEDUHNTESA-N 2 2 339.361 3.385 20 0 EGADLP C[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000126514230 454899981 /nfs/dbraw/zinc/89/99/81/454899981.db2.gz JGWFFOXIXPGOCC-MEDUHNTESA-N 2 2 339.361 3.385 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CCC[NH2+]C4)cc3)[nH+]c12 ZINC000165501186 454900315 /nfs/dbraw/zinc/90/03/15/454900315.db2.gz PSKXSGXUPGRNOQ-MRXNPFEDSA-N 2 2 334.423 3.248 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCCn2cc[nH+]c2)nnn1-c1cccc(Cl)c1 ZINC000151109115 454939213 /nfs/dbraw/zinc/93/92/13/454939213.db2.gz BWNRDMWBRDMYKP-ZDUSSCGKSA-N 2 2 344.850 3.167 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccsc2S1 ZINC000178521074 454959722 /nfs/dbraw/zinc/95/97/22/454959722.db2.gz YVUBXPORVBNQEG-SWLSCSKDSA-N 2 2 326.531 3.110 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000179157154 455014977 /nfs/dbraw/zinc/01/49/77/455014977.db2.gz GHUIASFWBRNDTE-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000179157154 455014981 /nfs/dbraw/zinc/01/49/81/455014981.db2.gz GHUIASFWBRNDTE-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCn2cc[nH+]c2)cnn1-c1cccc(Cl)c1 ZINC000155638503 455025161 /nfs/dbraw/zinc/02/51/61/455025161.db2.gz FYZAJMRIVUVGIB-CYBMUJFWSA-N 2 2 329.835 3.381 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179475328 455050071 /nfs/dbraw/zinc/05/00/71/455050071.db2.gz NHRYMRIKZVLFFW-TXPKVOOTSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179475328 455050072 /nfs/dbraw/zinc/05/00/72/455050072.db2.gz NHRYMRIKZVLFFW-TXPKVOOTSA-N 2 2 340.471 3.356 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000116383741 455054353 /nfs/dbraw/zinc/05/43/53/455054353.db2.gz AMOWGTBZQSOKIC-KSSFIOAISA-N 2 2 331.410 3.360 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000116383741 455054355 /nfs/dbraw/zinc/05/43/55/455054355.db2.gz AMOWGTBZQSOKIC-KSSFIOAISA-N 2 2 331.410 3.360 20 0 EGADLP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(SC)cc1OC ZINC000179832015 455086331 /nfs/dbraw/zinc/08/63/31/455086331.db2.gz RPLFLLXDFSJIIU-UHFFFAOYSA-N 2 2 338.517 3.388 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156339803 455106590 /nfs/dbraw/zinc/10/65/90/455106590.db2.gz HKIHMMSNLWFOGM-MRXNPFEDSA-N 2 2 333.229 3.497 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156339803 455106592 /nfs/dbraw/zinc/10/65/92/455106592.db2.gz HKIHMMSNLWFOGM-MRXNPFEDSA-N 2 2 333.229 3.497 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000623656896 460662823 /nfs/dbraw/zinc/66/28/23/460662823.db2.gz FCPHYPXAHVTSBM-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000623656896 460662829 /nfs/dbraw/zinc/66/28/29/460662829.db2.gz FCPHYPXAHVTSBM-LBPRGKRZSA-N 2 2 329.257 3.410 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152487658 455125939 /nfs/dbraw/zinc/12/59/39/455125939.db2.gz NRLFWGXAPVNDDA-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152487658 455125942 /nfs/dbraw/zinc/12/59/42/455125942.db2.gz NRLFWGXAPVNDDA-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152487658 455125945 /nfs/dbraw/zinc/12/59/45/455125945.db2.gz NRLFWGXAPVNDDA-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152487658 455125947 /nfs/dbraw/zinc/12/59/47/455125947.db2.gz NRLFWGXAPVNDDA-QWHCGFSZSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(F)c1Br)C[NH+]1CCCC1 ZINC000156752517 455148286 /nfs/dbraw/zinc/14/82/86/455148286.db2.gz ULCQNFADBYIWOR-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000172575858 455162489 /nfs/dbraw/zinc/16/24/89/455162489.db2.gz JGXFPDHAYSXYRL-KRWDZBQOSA-N 2 2 326.444 3.187 20 0 EGADLP c1ccc(-c2nnc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000172575858 455162490 /nfs/dbraw/zinc/16/24/90/455162490.db2.gz JGXFPDHAYSXYRL-KRWDZBQOSA-N 2 2 326.444 3.187 20 0 EGADLP Fc1ccc(Cn2cc(C[NH2+]CCCNc3cccc[nH+]3)cn2)cc1 ZINC000189277236 455168104 /nfs/dbraw/zinc/16/81/04/455168104.db2.gz YDMSCIUIVLLSPQ-UHFFFAOYSA-N 2 2 339.418 3.057 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCC ZINC000157337887 455185423 /nfs/dbraw/zinc/18/54/23/455185423.db2.gz YVWMQMLGQDPVNM-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCC ZINC000157337887 455185425 /nfs/dbraw/zinc/18/54/25/455185425.db2.gz YVWMQMLGQDPVNM-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@@H](C)CCn2cccn2)[NH+]2CCCC2)cc1 ZINC000157494145 455199872 /nfs/dbraw/zinc/19/98/72/455199872.db2.gz HQJIHZXONVHKAW-PXNSSMCTSA-N 2 2 342.487 3.097 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157519435 455203243 /nfs/dbraw/zinc/20/32/43/455203243.db2.gz QPAQFVWKWVKQFD-WMZOPIPTSA-N 2 2 347.478 3.411 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157519435 455203247 /nfs/dbraw/zinc/20/32/47/455203247.db2.gz QPAQFVWKWVKQFD-WMZOPIPTSA-N 2 2 347.478 3.411 20 0 EGADLP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccsc1 ZINC000264418129 455209496 /nfs/dbraw/zinc/20/94/96/455209496.db2.gz QKVVWBDYGXMMOA-GJZGRUSLSA-N 2 2 347.488 3.011 20 0 EGADLP COc1ccc([C@@H](C[NH2+]C2CC(OC(C)C)C2)[NH+]2CCCC2)cc1 ZINC000189508339 455210228 /nfs/dbraw/zinc/21/02/28/455210228.db2.gz ISBSHAWSVLLPBG-LYBXBRPPSA-N 2 2 332.488 3.378 20 0 EGADLP Clc1ccc(SCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000172936395 455211378 /nfs/dbraw/zinc/21/13/78/455211378.db2.gz FIGGKGZDJFDAKD-HNNXBMFYSA-N 2 2 340.920 3.086 20 0 EGADLP Clc1ccc(SCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000172936395 455211383 /nfs/dbraw/zinc/21/13/83/455211383.db2.gz FIGGKGZDJFDAKD-HNNXBMFYSA-N 2 2 340.920 3.086 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000183343813 455280252 /nfs/dbraw/zinc/28/02/52/455280252.db2.gz LPJIVLIWSJNJTR-CYBMUJFWSA-N 2 2 334.357 3.150 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435317 455297905 /nfs/dbraw/zinc/29/79/05/455297905.db2.gz QJERZSPFKBBCLU-SJLPKXTDSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435317 455297907 /nfs/dbraw/zinc/29/79/07/455297907.db2.gz QJERZSPFKBBCLU-SJLPKXTDSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435317 455297912 /nfs/dbraw/zinc/29/79/12/455297912.db2.gz QJERZSPFKBBCLU-SJLPKXTDSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000245435317 455297919 /nfs/dbraw/zinc/29/79/19/455297919.db2.gz QJERZSPFKBBCLU-SJLPKXTDSA-N 2 2 331.504 3.240 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158565049 455312691 /nfs/dbraw/zinc/31/26/91/455312691.db2.gz LARKYZKVAUACEV-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158565049 455312697 /nfs/dbraw/zinc/31/26/97/455312697.db2.gz LARKYZKVAUACEV-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158565049 455312698 /nfs/dbraw/zinc/31/26/98/455312698.db2.gz LARKYZKVAUACEV-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158565049 455312701 /nfs/dbraw/zinc/31/27/01/455312701.db2.gz LARKYZKVAUACEV-YQVWRLOYSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245645660 455346535 /nfs/dbraw/zinc/34/65/35/455346535.db2.gz CBFYPNZPENFERZ-ISARSNTHSA-N 2 2 328.456 3.202 20 0 EGADLP C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000245645660 455346540 /nfs/dbraw/zinc/34/65/40/455346540.db2.gz CBFYPNZPENFERZ-ISARSNTHSA-N 2 2 328.456 3.202 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000159170090 455356722 /nfs/dbraw/zinc/35/67/22/455356722.db2.gz SQQNSEKBDQVAIO-KRWDZBQOSA-N 3 2 342.487 3.024 20 0 EGADLP Cn1cc([C@@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c2cccc(F)c2)cn1 ZINC000245935654 455402398 /nfs/dbraw/zinc/40/23/98/455402398.db2.gz JBEYWMAYBHFQRW-OTWHNJEPSA-N 2 2 330.451 3.111 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)CCO1 ZINC000606446109 460672681 /nfs/dbraw/zinc/67/26/81/460672681.db2.gz NINITLBZIGQGCR-YXNDHCTKSA-N 2 2 329.488 3.302 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241417 455455798 /nfs/dbraw/zinc/45/57/98/455455798.db2.gz USVCRFKOGNUHFV-HOTGVXAUSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246241417 455455804 /nfs/dbraw/zinc/45/58/04/455455804.db2.gz USVCRFKOGNUHFV-HOTGVXAUSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cnn1C(C)C ZINC000191184085 455459307 /nfs/dbraw/zinc/45/93/07/455459307.db2.gz JHBZJPJKUMOGIC-INIZCTEOSA-N 2 2 341.503 3.483 20 0 EGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000266930513 455477211 /nfs/dbraw/zinc/47/72/11/455477211.db2.gz OPLYCEFQQMDQKA-UONOGXRCSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000266930513 455477217 /nfs/dbraw/zinc/47/72/17/455477217.db2.gz OPLYCEFQQMDQKA-UONOGXRCSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946337 455480686 /nfs/dbraw/zinc/48/06/86/455480686.db2.gz SKTLPIINGXRHAH-LSDHHAIUSA-N 2 2 349.438 3.165 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266946337 455480687 /nfs/dbraw/zinc/48/06/87/455480687.db2.gz SKTLPIINGXRHAH-LSDHHAIUSA-N 2 2 349.438 3.165 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000191452553 455486918 /nfs/dbraw/zinc/48/69/18/455486918.db2.gz NPIZXPAGJXIFGD-ZDUSSCGKSA-N 2 2 329.282 3.500 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)o2)C1 ZINC000191452553 455486923 /nfs/dbraw/zinc/48/69/23/455486923.db2.gz NPIZXPAGJXIFGD-ZDUSSCGKSA-N 2 2 329.282 3.500 20 0 EGADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000267223565 455519324 /nfs/dbraw/zinc/51/93/24/455519324.db2.gz TXWOUJUCJSWMGL-UHFFFAOYSA-N 3 2 332.879 3.326 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000185201292 455520197 /nfs/dbraw/zinc/52/01/97/455520197.db2.gz MPUFPDZKQQCZEL-MOPGFXCFSA-N 2 2 331.504 3.228 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247174338 455569409 /nfs/dbraw/zinc/56/94/09/455569409.db2.gz YRCACFPEQHOPEK-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247174338 455569413 /nfs/dbraw/zinc/56/94/13/455569413.db2.gz YRCACFPEQHOPEK-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247174338 455569416 /nfs/dbraw/zinc/56/94/16/455569416.db2.gz YRCACFPEQHOPEK-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247174338 455569422 /nfs/dbraw/zinc/56/94/22/455569422.db2.gz YRCACFPEQHOPEK-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000277580346 455604789 /nfs/dbraw/zinc/60/47/89/455604789.db2.gz CESLHMRVYLSWKC-XLIONFOSSA-N 2 2 343.471 3.352 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCO[C@H]1CCCCO1 ZINC000277580346 455604791 /nfs/dbraw/zinc/60/47/91/455604791.db2.gz CESLHMRVYLSWKC-XLIONFOSSA-N 2 2 343.471 3.352 20 0 EGADLP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343387 455605408 /nfs/dbraw/zinc/60/54/08/455605408.db2.gz OSNYJVBMACIMNG-QFBILLFUSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343387 455605416 /nfs/dbraw/zinc/60/54/16/455605416.db2.gz OSNYJVBMACIMNG-QFBILLFUSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343387 455605421 /nfs/dbraw/zinc/60/54/21/455605421.db2.gz OSNYJVBMACIMNG-QFBILLFUSA-N 2 2 342.483 3.297 20 0 EGADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2c(c1)OCCCO2 ZINC000271343387 455605428 /nfs/dbraw/zinc/60/54/28/455605428.db2.gz OSNYJVBMACIMNG-QFBILLFUSA-N 2 2 342.483 3.297 20 0 EGADLP Clc1c(C[NH2+]C2CC[NH+](C3CC3)CC2)cnn1Cc1ccccc1 ZINC000283890806 455608193 /nfs/dbraw/zinc/60/81/93/455608193.db2.gz JMMGIXONEIAXGB-UHFFFAOYSA-N 2 2 344.890 3.301 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193372 455614272 /nfs/dbraw/zinc/61/42/72/455614272.db2.gz NIWBBSVKHNLECC-LIRRHRJNSA-N 2 2 337.423 3.086 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000268193372 455614278 /nfs/dbraw/zinc/61/42/78/455614278.db2.gz NIWBBSVKHNLECC-LIRRHRJNSA-N 2 2 337.423 3.086 20 0 EGADLP CCc1cc(NCC2CC[NH+](C3CC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000277613450 455614970 /nfs/dbraw/zinc/61/49/70/455614970.db2.gz BFICDYMFZRICBP-UHFFFAOYSA-N 2 2 337.471 3.387 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247543402 455621893 /nfs/dbraw/zinc/62/18/93/455621893.db2.gz PIKWJPMUZNMXOD-IAGOWNOFSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247543402 455621896 /nfs/dbraw/zinc/62/18/96/455621896.db2.gz PIKWJPMUZNMXOD-IAGOWNOFSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247543402 455621899 /nfs/dbraw/zinc/62/18/99/455621899.db2.gz PIKWJPMUZNMXOD-IAGOWNOFSA-N 2 2 347.503 3.219 20 0 EGADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247543402 455621904 /nfs/dbraw/zinc/62/19/04/455621904.db2.gz PIKWJPMUZNMXOD-IAGOWNOFSA-N 2 2 347.503 3.219 20 0 EGADLP C[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl)Cn1cc[nH+]c1 ZINC000284022420 455625492 /nfs/dbraw/zinc/62/54/92/455625492.db2.gz QRNSDMJWISXRCG-HNNXBMFYSA-N 2 2 343.862 3.207 20 0 EGADLP C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1CCn1cc[nH+]c1 ZINC000292323844 455628930 /nfs/dbraw/zinc/62/89/30/455628930.db2.gz VYNMIVQCQWZUHV-XJKSGUPXSA-N 2 2 339.361 3.364 20 0 EGADLP C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1CCn1cc[nH+]c1 ZINC000292323844 455628935 /nfs/dbraw/zinc/62/89/35/455628935.db2.gz VYNMIVQCQWZUHV-XJKSGUPXSA-N 2 2 339.361 3.364 20 0 EGADLP CCOC(C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398129 455713383 /nfs/dbraw/zinc/71/33/83/455713383.db2.gz MWLHZKIQCFCKSD-PKOBYXMFSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398129 455713387 /nfs/dbraw/zinc/71/33/87/455713387.db2.gz MWLHZKIQCFCKSD-PKOBYXMFSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398129 455713389 /nfs/dbraw/zinc/71/33/89/455713389.db2.gz MWLHZKIQCFCKSD-PKOBYXMFSA-N 2 2 334.504 3.370 20 0 EGADLP CCOC(C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OCC ZINC000248398129 455713392 /nfs/dbraw/zinc/71/33/92/455713392.db2.gz MWLHZKIQCFCKSD-PKOBYXMFSA-N 2 2 334.504 3.370 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCCO1 ZINC000277939331 455714930 /nfs/dbraw/zinc/71/49/30/455714930.db2.gz QYMFZBAVMHOTFN-CYBMUJFWSA-N 2 2 348.384 3.435 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2F)CCCO1 ZINC000277939331 455714935 /nfs/dbraw/zinc/71/49/35/455714935.db2.gz QYMFZBAVMHOTFN-CYBMUJFWSA-N 2 2 348.384 3.435 20 0 EGADLP Fc1ccc(Br)c2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000186199918 455715678 /nfs/dbraw/zinc/71/56/78/455715678.db2.gz DLLYFYDESWCEGT-UHFFFAOYSA-N 2 2 338.224 3.233 20 0 EGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268844394 455716214 /nfs/dbraw/zinc/71/62/14/455716214.db2.gz BHOSGQZECKIAOO-QAPCUYQASA-N 2 2 349.544 3.178 20 0 EGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268844394 455716218 /nfs/dbraw/zinc/71/62/18/455716218.db2.gz BHOSGQZECKIAOO-QAPCUYQASA-N 2 2 349.544 3.178 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccs1 ZINC000268949054 455740467 /nfs/dbraw/zinc/74/04/67/455740467.db2.gz BSNLAVRMEBGDIH-SZMVWBNQSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccs1 ZINC000268949054 455740470 /nfs/dbraw/zinc/74/04/70/455740470.db2.gz BSNLAVRMEBGDIH-SZMVWBNQSA-N 2 2 330.497 3.282 20 0 EGADLP CCCc1nc(C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470642 455757554 /nfs/dbraw/zinc/75/75/54/455757554.db2.gz UIXLVPTUNPKABC-NVXWUHKLSA-N 2 2 339.549 3.322 20 0 EGADLP CCCc1nc(C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)cs1 ZINC000249470642 455757558 /nfs/dbraw/zinc/75/75/58/455757558.db2.gz UIXLVPTUNPKABC-NVXWUHKLSA-N 2 2 339.549 3.322 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250743836 455788989 /nfs/dbraw/zinc/78/89/89/455788989.db2.gz HATKMVKFMBOVKR-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000250743836 455788994 /nfs/dbraw/zinc/78/89/94/455788994.db2.gz HATKMVKFMBOVKR-KGLIPLIRSA-N 2 2 327.241 3.305 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000269102229 455789845 /nfs/dbraw/zinc/78/98/45/455789845.db2.gz UHBKICWUTVZWIY-QGZVFWFLSA-N 2 2 340.471 3.071 20 0 EGADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283170 455817348 /nfs/dbraw/zinc/81/73/48/455817348.db2.gz AQNGGVDMEVFTPD-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000285283170 455817354 /nfs/dbraw/zinc/81/73/54/455817354.db2.gz AQNGGVDMEVFTPD-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000285283170 455817356 /nfs/dbraw/zinc/81/73/56/455817356.db2.gz AQNGGVDMEVFTPD-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP COc1ccc(C(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000285283170 455817360 /nfs/dbraw/zinc/81/73/60/455817360.db2.gz AQNGGVDMEVFTPD-XLIONFOSSA-N 2 2 342.483 3.217 20 0 EGADLP c1ccc(N2CCC([NH2+]C[C@@H]3COC4(CCCCCC4)O3)CC2)[nH+]c1 ZINC000272031064 455826189 /nfs/dbraw/zinc/82/61/89/455826189.db2.gz OXCDFLFXLGHIGC-GOSISDBHSA-N 2 2 345.487 3.106 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000272093942 455844717 /nfs/dbraw/zinc/84/47/17/455844717.db2.gz YDJQCFOPBSYJFC-QGZVFWFLSA-N 2 2 333.476 3.006 20 0 EGADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000272331850 455916901 /nfs/dbraw/zinc/91/69/01/455916901.db2.gz YDJQCFOPBSYJFC-KRWDZBQOSA-N 2 2 333.476 3.006 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000280220606 455920243 /nfs/dbraw/zinc/92/02/43/455920243.db2.gz KVYOVKDQRWLRGO-UHFFFAOYSA-N 2 2 332.411 3.458 20 0 EGADLP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1SC ZINC000261673763 455925057 /nfs/dbraw/zinc/92/50/57/455925057.db2.gz HWGJRSWTHIXBKD-DLBZAZTESA-N 2 2 328.481 3.344 20 0 EGADLP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1SC ZINC000261673763 455925066 /nfs/dbraw/zinc/92/50/66/455925066.db2.gz HWGJRSWTHIXBKD-DLBZAZTESA-N 2 2 328.481 3.344 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285864064 455931076 /nfs/dbraw/zinc/93/10/76/455931076.db2.gz ZWHKBBZSJPAKHD-RAFMOHDBSA-N 2 2 343.515 3.201 20 0 EGADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC000285864064 455931080 /nfs/dbraw/zinc/93/10/80/455931080.db2.gz ZWHKBBZSJPAKHD-RAFMOHDBSA-N 2 2 343.515 3.201 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H](COC)C1CCOCC1)c1ccccc1 ZINC000187675312 455936633 /nfs/dbraw/zinc/93/66/33/455936633.db2.gz OFXMBUALUBAGCL-PMACEKPBSA-N 2 2 334.504 3.101 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261759820 455942769 /nfs/dbraw/zinc/94/27/69/455942769.db2.gz PUVJWAVTZWSUPT-INIZCTEOSA-N 2 2 335.879 3.051 20 0 EGADLP Clc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280317517 455946748 /nfs/dbraw/zinc/94/67/48/455946748.db2.gz GMGZJDDBGHOEQT-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP Clc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280317517 455946750 /nfs/dbraw/zinc/94/67/50/455946750.db2.gz GMGZJDDBGHOEQT-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP Clc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280317517 455946753 /nfs/dbraw/zinc/94/67/53/455946753.db2.gz GMGZJDDBGHOEQT-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP Clc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC000280317517 455946756 /nfs/dbraw/zinc/94/67/56/455946756.db2.gz GMGZJDDBGHOEQT-HDICACEKSA-N 2 2 327.859 3.299 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261797407 455950176 /nfs/dbraw/zinc/95/01/76/455950176.db2.gz YJPOAMLCEPLXMQ-TZMCWYRMSA-N 2 2 346.272 3.039 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261797407 455950181 /nfs/dbraw/zinc/95/01/81/455950181.db2.gz YJPOAMLCEPLXMQ-TZMCWYRMSA-N 2 2 346.272 3.039 20 0 EGADLP CO[C@H](C)c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261883454 455965151 /nfs/dbraw/zinc/96/51/51/455965151.db2.gz YWHHOVPWWYYJMW-UNEWFSDZSA-N 2 2 331.485 3.025 20 0 EGADLP CO[C@H](C)c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261883454 455965153 /nfs/dbraw/zinc/96/51/53/455965153.db2.gz YWHHOVPWWYYJMW-UNEWFSDZSA-N 2 2 331.485 3.025 20 0 EGADLP Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261922951 455971493 /nfs/dbraw/zinc/97/14/93/455971493.db2.gz KRWZGWUJCHWFGW-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261922951 455971498 /nfs/dbraw/zinc/97/14/98/455971498.db2.gz KRWZGWUJCHWFGW-MRXNPFEDSA-N 2 2 332.879 3.075 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990991 455976724 /nfs/dbraw/zinc/97/67/24/455976724.db2.gz WXZLYHMYSXVKAA-WOJBJXKFSA-N 2 2 338.536 3.062 20 0 EGADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CCOCC1 ZINC000187990991 455976731 /nfs/dbraw/zinc/97/67/31/455976731.db2.gz WXZLYHMYSXVKAA-WOJBJXKFSA-N 2 2 338.536 3.062 20 0 EGADLP c1cn2c(cccc2C[NH2+]CCCOCCOCc2ccccc2)[nH+]1 ZINC000272529523 455984119 /nfs/dbraw/zinc/98/41/19/455984119.db2.gz JXOMHMINMHCJJY-UHFFFAOYSA-N 2 2 339.439 3.047 20 0 EGADLP c1ccc(-c2noc([C@@H]3CCCC[N@H+]3C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034332 455987281 /nfs/dbraw/zinc/98/72/81/455987281.db2.gz XNQZYLKWDCXQSP-WBVHZDCISA-N 2 2 326.444 3.263 20 0 EGADLP c1ccc(-c2noc([C@@H]3CCCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000262034332 455987288 /nfs/dbraw/zinc/98/72/88/455987288.db2.gz XNQZYLKWDCXQSP-WBVHZDCISA-N 2 2 326.444 3.263 20 0 EGADLP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543839 455988070 /nfs/dbraw/zinc/98/80/70/455988070.db2.gz CZJJJQOYDOCQDU-QRQLOZEOSA-N 2 2 328.456 3.467 20 0 EGADLP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543839 455988074 /nfs/dbraw/zinc/98/80/74/455988074.db2.gz CZJJJQOYDOCQDU-QRQLOZEOSA-N 2 2 328.456 3.467 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650004 456026264 /nfs/dbraw/zinc/02/62/64/456026264.db2.gz PRGTXDPAKTVSPN-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650004 456026269 /nfs/dbraw/zinc/02/62/69/456026269.db2.gz PRGTXDPAKTVSPN-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650004 456026270 /nfs/dbraw/zinc/02/62/70/456026270.db2.gz PRGTXDPAKTVSPN-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)[C@H]2C1 ZINC000272650004 456026275 /nfs/dbraw/zinc/02/62/75/456026275.db2.gz PRGTXDPAKTVSPN-NQIIRXRSSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286357401 456031794 /nfs/dbraw/zinc/03/17/94/456031794.db2.gz FUXUKEHXDWHANX-XJKSGUPXSA-N 2 2 326.843 3.098 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]CC2(C)COC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286357401 456031798 /nfs/dbraw/zinc/03/17/98/456031798.db2.gz FUXUKEHXDWHANX-XJKSGUPXSA-N 2 2 326.843 3.098 20 0 EGADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000262709208 456054356 /nfs/dbraw/zinc/05/43/56/456054356.db2.gz ONDQZVAMMJGIND-KSSFIOAISA-N 2 2 337.895 3.063 20 0 EGADLP Fc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)cn1 ZINC000297039215 456099749 /nfs/dbraw/zinc/09/97/49/456099749.db2.gz XVMZWOPAVOWDBY-UHFFFAOYSA-N 2 2 332.398 3.272 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@H+](C)Cc1ccccc1 ZINC000272969435 456128329 /nfs/dbraw/zinc/12/83/29/456128329.db2.gz XBJUFRSWAMWTQO-INIZCTEOSA-N 2 2 344.528 3.222 20 0 EGADLP C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000272969435 456128338 /nfs/dbraw/zinc/12/83/38/456128338.db2.gz XBJUFRSWAMWTQO-INIZCTEOSA-N 2 2 344.528 3.222 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000289931247 456186899 /nfs/dbraw/zinc/18/68/99/456186899.db2.gz VLRLTAHKQCQLTI-IEBWSBKVSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000289931247 456186909 /nfs/dbraw/zinc/18/69/09/456186909.db2.gz VLRLTAHKQCQLTI-IEBWSBKVSA-N 2 2 338.499 3.290 20 0 EGADLP Cc1nc(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301712427 456194469 /nfs/dbraw/zinc/19/44/69/456194469.db2.gz YHPFWLDMBIPTHK-HNNXBMFYSA-N 2 2 339.487 3.024 20 0 EGADLP Cc1nc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)c(C)[nH+]1 ZINC000301715168 456195775 /nfs/dbraw/zinc/19/57/75/456195775.db2.gz ZSTSYPFDRAXVJF-AWEZNQCLSA-N 2 2 340.471 3.235 20 0 EGADLP Cc1nc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)c(C)[nH+]1 ZINC000301715168 456195783 /nfs/dbraw/zinc/19/57/83/456195783.db2.gz ZSTSYPFDRAXVJF-AWEZNQCLSA-N 2 2 340.471 3.235 20 0 EGADLP Nc1nc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)[nH+]c2ccccc12 ZINC000301749509 456205358 /nfs/dbraw/zinc/20/53/58/456205358.db2.gz ACPMOOLUHARUQN-INIZCTEOSA-N 2 2 337.427 3.444 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000290047364 456225088 /nfs/dbraw/zinc/22/50/88/456225088.db2.gz BUELTTLYFVYPEM-UHFFFAOYSA-N 2 2 341.459 3.253 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1cccc(F)c1 ZINC000301827821 456225785 /nfs/dbraw/zinc/22/57/85/456225785.db2.gz NSMYICOMQZGMKH-INIZCTEOSA-N 2 2 329.423 3.152 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416511 456228251 /nfs/dbraw/zinc/22/82/51/456228251.db2.gz YRXBIQDYIUFZFA-LULLPPNCSA-N 2 2 340.471 3.029 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416511 456228255 /nfs/dbraw/zinc/22/82/55/456228255.db2.gz YRXBIQDYIUFZFA-LULLPPNCSA-N 2 2 340.471 3.029 20 0 EGADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000290061355 456229667 /nfs/dbraw/zinc/22/96/67/456229667.db2.gz XTXQZIMTFNLFMM-HOTGVXAUSA-N 2 2 326.488 3.486 20 0 EGADLP Cc1c[nH]nc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000290061355 456229673 /nfs/dbraw/zinc/22/96/73/456229673.db2.gz XTXQZIMTFNLFMM-HOTGVXAUSA-N 2 2 326.488 3.486 20 0 EGADLP O[C@H]1C[C@@H](CNc2cc[nH+]c3ccsc32)[N@H+](Cc2ccccc2)C1 ZINC000301894986 456245131 /nfs/dbraw/zinc/24/51/31/456245131.db2.gz XLTSYDWEVSHNMJ-HOTGVXAUSA-N 2 2 339.464 3.344 20 0 EGADLP O[C@H]1C[C@@H](CNc2cc[nH+]c3ccsc32)[N@@H+](Cc2ccccc2)C1 ZINC000301894986 456245136 /nfs/dbraw/zinc/24/51/36/456245136.db2.gz XLTSYDWEVSHNMJ-HOTGVXAUSA-N 2 2 339.464 3.344 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000290183674 456261432 /nfs/dbraw/zinc/26/14/32/456261432.db2.gz ZIOKIZAHBJJDCC-UHFFFAOYSA-N 2 2 329.488 3.047 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176364 456292221 /nfs/dbraw/zinc/29/22/21/456292221.db2.gz WSPWPFAGQZZYLI-AZUAARDMSA-N 3 2 338.499 3.187 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C[C@@H]1c1ccccc1 ZINC000340176364 456292230 /nfs/dbraw/zinc/29/22/30/456292230.db2.gz WSPWPFAGQZZYLI-AZUAARDMSA-N 3 2 338.499 3.187 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2Br)s1 ZINC000352781891 456299487 /nfs/dbraw/zinc/29/94/87/456299487.db2.gz AEGMAZVDDURNLU-UHFFFAOYSA-N 2 2 340.290 3.257 20 0 EGADLP CN(C(=O)C[N@H+](C)Cc1ccccc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352786660 456305958 /nfs/dbraw/zinc/30/59/58/456305958.db2.gz ADYQMWBPYNSSPA-FQEVSTJZSA-N 2 2 348.450 3.090 20 0 EGADLP CN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352786660 456305965 /nfs/dbraw/zinc/30/59/65/456305965.db2.gz ADYQMWBPYNSSPA-FQEVSTJZSA-N 2 2 348.450 3.090 20 0 EGADLP CC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1F ZINC000352785533 456306039 /nfs/dbraw/zinc/30/60/39/456306039.db2.gz HBRQTLDWCSFKHZ-ZDUSSCGKSA-N 2 2 337.464 3.291 20 0 EGADLP O[C@H]([C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198833 456309426 /nfs/dbraw/zinc/30/94/26/456309426.db2.gz CKUWBEWKJCFDEL-JKSUJKDBSA-N 2 2 339.361 3.150 20 0 EGADLP O[C@H]([C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000340198833 456309434 /nfs/dbraw/zinc/30/94/34/456309434.db2.gz CKUWBEWKJCFDEL-JKSUJKDBSA-N 2 2 339.361 3.150 20 0 EGADLP c1cn2c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c(C3CC3)nc2s1 ZINC000342924417 456317391 /nfs/dbraw/zinc/31/73/91/456317391.db2.gz DREYJDAFCVSOCI-HNNXBMFYSA-N 2 2 340.452 3.322 20 0 EGADLP c1cn2c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c(C3CC3)nc2s1 ZINC000342924417 456317397 /nfs/dbraw/zinc/31/73/97/456317397.db2.gz DREYJDAFCVSOCI-HNNXBMFYSA-N 2 2 340.452 3.322 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000340319365 456386541 /nfs/dbraw/zinc/38/65/41/456386541.db2.gz UMCSQLCMIDPFIE-UGUYLWEFSA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000340319365 456386548 /nfs/dbraw/zinc/38/65/48/456386548.db2.gz UMCSQLCMIDPFIE-UGUYLWEFSA-N 2 2 330.394 3.113 20 0 EGADLP CC(C)c1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000302744921 456390363 /nfs/dbraw/zinc/39/03/63/456390363.db2.gz FEIBJXVFCHUGRJ-INIZCTEOSA-N 2 2 346.519 3.056 20 0 EGADLP CC(C)c1nc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc(C(C)(C)C)[nH+]1 ZINC000302778463 456397392 /nfs/dbraw/zinc/39/73/92/456397392.db2.gz QAQKYPMONRHRPQ-OAHLLOKOSA-N 2 2 332.492 3.173 20 0 EGADLP CC(C)c1nc(NC[C@@H]2C[N@H+](C3CC3)CCO2)cc(C(C)(C)C)[nH+]1 ZINC000302778463 456397395 /nfs/dbraw/zinc/39/73/95/456397395.db2.gz QAQKYPMONRHRPQ-OAHLLOKOSA-N 2 2 332.492 3.173 20 0 EGADLP CCc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000347869066 456416882 /nfs/dbraw/zinc/41/68/82/456416882.db2.gz YTJSQFVIDCQNQS-UHFFFAOYSA-N 2 2 338.499 3.178 20 0 EGADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000347869066 456416888 /nfs/dbraw/zinc/41/68/88/456416888.db2.gz YTJSQFVIDCQNQS-UHFFFAOYSA-N 2 2 338.499 3.178 20 0 EGADLP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000340371204 456419014 /nfs/dbraw/zinc/41/90/14/456419014.db2.gz QQLMUHGHDOYMSS-IEBWSBKVSA-N 2 2 327.428 3.084 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1C ZINC000282130777 456420573 /nfs/dbraw/zinc/42/05/73/456420573.db2.gz KCAVXULMKYVMAS-HOTGVXAUSA-N 2 2 332.517 3.353 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1C ZINC000282130777 456420578 /nfs/dbraw/zinc/42/05/78/456420578.db2.gz KCAVXULMKYVMAS-HOTGVXAUSA-N 2 2 332.517 3.353 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)c3ccc4c[nH+]cn4c3)ccc2n1C1CC1 ZINC000298361797 456435370 /nfs/dbraw/zinc/43/53/70/456435370.db2.gz LOVSWZHUKOOQMP-UHFFFAOYSA-N 2 2 345.406 3.257 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266429 456460731 /nfs/dbraw/zinc/46/07/31/456460731.db2.gz AFWMMOWSBXCPOH-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266429 456460736 /nfs/dbraw/zinc/46/07/36/456460736.db2.gz AFWMMOWSBXCPOH-LPHOPBHVSA-N 2 2 326.488 3.371 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2C[C@H]([NH3+])[C@H](c3ccccc3)C2)c1 ZINC000337670964 456472044 /nfs/dbraw/zinc/47/20/44/456472044.db2.gz PQIOPSWUWFDEAK-SFTDATJTSA-N 2 2 340.467 3.029 20 0 EGADLP COCCCOc1cccc(C[N@H+]2C[C@H]([NH3+])[C@H](c3ccccc3)C2)c1 ZINC000337670964 456472049 /nfs/dbraw/zinc/47/20/49/456472049.db2.gz PQIOPSWUWFDEAK-SFTDATJTSA-N 2 2 340.467 3.029 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000337689713 456482473 /nfs/dbraw/zinc/48/24/73/456482473.db2.gz SVFBLBRJZJFZAF-UHFFFAOYSA-N 2 2 349.563 3.361 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000337689713 456482479 /nfs/dbraw/zinc/48/24/79/456482479.db2.gz SVFBLBRJZJFZAF-UHFFFAOYSA-N 2 2 349.563 3.361 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)oc1C ZINC000282385971 456496892 /nfs/dbraw/zinc/49/68/92/456496892.db2.gz XFQHTUPIBWDAOI-QGZVFWFLSA-N 2 2 341.499 3.495 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000340520792 456507272 /nfs/dbraw/zinc/50/72/72/456507272.db2.gz YFGQRJMZOLQWEE-WTGUMLROSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000340520792 456507275 /nfs/dbraw/zinc/50/72/75/456507275.db2.gz YFGQRJMZOLQWEE-WTGUMLROSA-N 2 2 326.484 3.198 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000282478703 456527344 /nfs/dbraw/zinc/52/73/44/456527344.db2.gz LKHXWDJXASBMDR-IBGZPJMESA-N 2 2 349.482 3.120 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000282478703 456527352 /nfs/dbraw/zinc/52/73/52/456527352.db2.gz LKHXWDJXASBMDR-IBGZPJMESA-N 2 2 349.482 3.120 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644795 456540459 /nfs/dbraw/zinc/54/04/59/456540459.db2.gz RRADYWMCZHZYRT-APWZRJJASA-N 2 2 341.503 3.033 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644795 456540463 /nfs/dbraw/zinc/54/04/63/456540463.db2.gz RRADYWMCZHZYRT-APWZRJJASA-N 2 2 341.503 3.033 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)n1-c1ccccc1 ZINC000276712567 456559110 /nfs/dbraw/zinc/55/91/10/456559110.db2.gz QIHRPGHFEOQDLQ-GOSISDBHSA-N 2 2 339.414 3.013 20 0 EGADLP CCC[C@H]1CN(CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000343404542 456597674 /nfs/dbraw/zinc/59/76/74/456597674.db2.gz QASYABUFMKNHSS-FQEVSTJZSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[C@H]1CN(CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000343404542 456597685 /nfs/dbraw/zinc/59/76/85/456597685.db2.gz QASYABUFMKNHSS-FQEVSTJZSA-N 2 2 326.488 3.260 20 0 EGADLP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c(F)c1 ZINC000276867349 456603613 /nfs/dbraw/zinc/60/36/13/456603613.db2.gz LDEYAGQVNPZCBO-ZDUSSCGKSA-N 2 2 343.381 3.253 20 0 EGADLP Fc1ccc(-n2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c(F)c1 ZINC000276867349 456603620 /nfs/dbraw/zinc/60/36/20/456603620.db2.gz LDEYAGQVNPZCBO-ZDUSSCGKSA-N 2 2 343.381 3.253 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000348323129 456622521 /nfs/dbraw/zinc/62/25/21/456622521.db2.gz JJKSHEBZRLMBKZ-VDGAXYAQSA-N 2 2 333.520 3.006 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000348323129 456622524 /nfs/dbraw/zinc/62/25/24/456622524.db2.gz JJKSHEBZRLMBKZ-VDGAXYAQSA-N 2 2 333.520 3.006 20 0 EGADLP C[C@@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276932107 456623015 /nfs/dbraw/zinc/62/30/15/456623015.db2.gz OKCZWEVHNNGFPM-MJBXVCDLSA-N 2 2 325.416 3.242 20 0 EGADLP C[C@@H](c1nc(Cc2cn3ccccc3[nH+]2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276932107 456623024 /nfs/dbraw/zinc/62/30/24/456623024.db2.gz OKCZWEVHNNGFPM-MJBXVCDLSA-N 2 2 325.416 3.242 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277015751 456652859 /nfs/dbraw/zinc/65/28/59/456652859.db2.gz CPSYLAOGPOTBDY-KRWDZBQOSA-N 2 2 341.459 3.035 20 0 EGADLP O=C(c1ccccc1Oc1cc[nH+]cc1)N1CC[NH+](C2CCC2)CC1 ZINC000338176431 456686616 /nfs/dbraw/zinc/68/66/16/456686616.db2.gz OSEIKEVRDMQDNF-UHFFFAOYSA-N 2 2 337.423 3.184 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000353425162 456691324 /nfs/dbraw/zinc/69/13/24/456691324.db2.gz JEMGYLVIVSCDBM-FUHWJXTLSA-N 2 2 327.472 3.242 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2nccc3ccccc32)C1 ZINC000353425162 456691334 /nfs/dbraw/zinc/69/13/34/456691334.db2.gz JEMGYLVIVSCDBM-FUHWJXTLSA-N 2 2 327.472 3.242 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000277145251 456697152 /nfs/dbraw/zinc/69/71/52/456697152.db2.gz JIFKJYMGAAWWMT-HNNXBMFYSA-N 2 2 334.851 3.306 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000277145251 456697160 /nfs/dbraw/zinc/69/71/60/456697160.db2.gz JIFKJYMGAAWWMT-HNNXBMFYSA-N 2 2 334.851 3.306 20 0 EGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C1CCC(O)CC1 ZINC000353524201 456735560 /nfs/dbraw/zinc/73/55/60/456735560.db2.gz ZWJQZNYYCMFDAD-MHJFOBGBSA-N 2 2 330.516 3.353 20 0 EGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C1CCC(O)CC1 ZINC000353524201 456735567 /nfs/dbraw/zinc/73/55/67/456735567.db2.gz ZWJQZNYYCMFDAD-MHJFOBGBSA-N 2 2 330.516 3.353 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277230723 456735708 /nfs/dbraw/zinc/73/57/08/456735708.db2.gz YTKSHDRMJJYJQM-UYAOXDASSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277230723 456735715 /nfs/dbraw/zinc/73/57/15/456735715.db2.gz YTKSHDRMJJYJQM-UYAOXDASSA-N 2 2 339.483 3.332 20 0 EGADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299626474 456748568 /nfs/dbraw/zinc/74/85/68/456748568.db2.gz FRJDBOIVBXMNFC-KRWDZBQOSA-N 2 2 335.411 3.022 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353546120 456749034 /nfs/dbraw/zinc/74/90/34/456749034.db2.gz UTXCBWQVXBIKAO-KRWDZBQOSA-N 2 2 349.519 3.118 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353546120 456749036 /nfs/dbraw/zinc/74/90/36/456749036.db2.gz UTXCBWQVXBIKAO-KRWDZBQOSA-N 2 2 349.519 3.118 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353546120 456749040 /nfs/dbraw/zinc/74/90/40/456749040.db2.gz UTXCBWQVXBIKAO-KRWDZBQOSA-N 2 2 349.519 3.118 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353546120 456749043 /nfs/dbraw/zinc/74/90/43/456749043.db2.gz UTXCBWQVXBIKAO-KRWDZBQOSA-N 2 2 349.519 3.118 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000353548677 456751064 /nfs/dbraw/zinc/75/10/64/456751064.db2.gz MWIOERLXXOIQBA-AZUAARDMSA-N 2 2 345.531 3.479 20 0 EGADLP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000353548677 456751070 /nfs/dbraw/zinc/75/10/70/456751070.db2.gz MWIOERLXXOIQBA-AZUAARDMSA-N 2 2 345.531 3.479 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)n21 ZINC000353559548 456759213 /nfs/dbraw/zinc/75/92/13/456759213.db2.gz GFWBPHUNYHPULN-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)n21 ZINC000353559548 456759219 /nfs/dbraw/zinc/75/92/19/456759219.db2.gz GFWBPHUNYHPULN-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000277331794 456781686 /nfs/dbraw/zinc/78/16/86/456781686.db2.gz VPZDNSLHHSNLRT-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000277331794 456781696 /nfs/dbraw/zinc/78/16/96/456781696.db2.gz VPZDNSLHHSNLRT-APWZRJJASA-N 2 2 349.494 3.151 20 0 EGADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374431 456786376 /nfs/dbraw/zinc/78/63/76/456786376.db2.gz UJIVYGWMSICLBG-IEBWSBKVSA-N 2 2 347.503 3.332 20 0 EGADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)n2c1CCCC2 ZINC000338374431 456786380 /nfs/dbraw/zinc/78/63/80/456786380.db2.gz UJIVYGWMSICLBG-IEBWSBKVSA-N 2 2 347.503 3.332 20 0 EGADLP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1nncn1C ZINC000348706238 456822116 /nfs/dbraw/zinc/82/21/16/456822116.db2.gz GWSWCYOKACXWKN-NXHRZFHOSA-N 2 2 333.524 3.145 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353655794 456834429 /nfs/dbraw/zinc/83/44/29/456834429.db2.gz IJPDXIRSMFAQAU-INIZCTEOSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353655794 456834433 /nfs/dbraw/zinc/83/44/33/456834433.db2.gz IJPDXIRSMFAQAU-INIZCTEOSA-N 2 2 349.438 3.073 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660613 456838749 /nfs/dbraw/zinc/83/87/49/456838749.db2.gz MYYSPKADCPDSKP-MSOLQXFVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660613 456838752 /nfs/dbraw/zinc/83/87/52/456838752.db2.gz MYYSPKADCPDSKP-MSOLQXFVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660613 456838756 /nfs/dbraw/zinc/83/87/56/456838756.db2.gz MYYSPKADCPDSKP-MSOLQXFVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660613 456838759 /nfs/dbraw/zinc/83/87/59/456838759.db2.gz MYYSPKADCPDSKP-MSOLQXFVSA-N 2 2 326.488 3.485 20 0 EGADLP CC(=O)NCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(C)s1 ZINC000338949307 456870055 /nfs/dbraw/zinc/87/00/55/456870055.db2.gz BTPOMWVUPCJVOI-UHFFFAOYSA-N 2 2 345.512 3.331 20 0 EGADLP CC(=O)NCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(C)s1 ZINC000338949307 456870056 /nfs/dbraw/zinc/87/00/56/456870056.db2.gz BTPOMWVUPCJVOI-UHFFFAOYSA-N 2 2 345.512 3.331 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829947 456874159 /nfs/dbraw/zinc/87/41/59/456874159.db2.gz XFUZEXRLDKHHPU-WMZOPIPTSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(Cl)c1 ZINC000348829947 456874163 /nfs/dbraw/zinc/87/41/63/456874163.db2.gz XFUZEXRLDKHHPU-WMZOPIPTSA-N 2 2 349.906 3.076 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(F)c3Cl)CC2)c1 ZINC000338963183 456879090 /nfs/dbraw/zinc/87/90/90/456879090.db2.gz MSGMEGMLDOQMCD-UHFFFAOYSA-N 2 2 335.810 3.205 20 0 EGADLP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@H]1C ZINC000353745740 456884868 /nfs/dbraw/zinc/88/48/68/456884868.db2.gz JCHRSKRAIBHRGY-VQIMIIECSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@H]1C ZINC000353745740 456884870 /nfs/dbraw/zinc/88/48/70/456884870.db2.gz JCHRSKRAIBHRGY-VQIMIIECSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745740 456884872 /nfs/dbraw/zinc/88/48/72/456884872.db2.gz JCHRSKRAIBHRGY-VQIMIIECSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745740 456884874 /nfs/dbraw/zinc/88/48/74/456884874.db2.gz JCHRSKRAIBHRGY-VQIMIIECSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745740 456884876 /nfs/dbraw/zinc/88/48/76/456884876.db2.gz JCHRSKRAIBHRGY-VQIMIIECSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@H]1C ZINC000353745740 456884879 /nfs/dbraw/zinc/88/48/79/456884879.db2.gz JCHRSKRAIBHRGY-VQIMIIECSA-N 2 2 326.488 3.485 20 0 EGADLP C[NH+](C)CCc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000341709262 456908745 /nfs/dbraw/zinc/90/87/45/456908745.db2.gz FGLWFEMOGUCKJQ-UHFFFAOYSA-N 2 2 348.450 3.288 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000339062176 456922610 /nfs/dbraw/zinc/92/26/10/456922610.db2.gz ZIQGLNZZWFZPKI-QGZVFWFLSA-N 2 2 344.547 3.114 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000339062176 456922613 /nfs/dbraw/zinc/92/26/13/456922613.db2.gz ZIQGLNZZWFZPKI-QGZVFWFLSA-N 2 2 344.547 3.114 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000339062175 456922788 /nfs/dbraw/zinc/92/27/88/456922788.db2.gz ZIQGLNZZWFZPKI-KRWDZBQOSA-N 2 2 344.547 3.114 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000339062175 456922790 /nfs/dbraw/zinc/92/27/90/456922790.db2.gz ZIQGLNZZWFZPKI-KRWDZBQOSA-N 2 2 344.547 3.114 20 0 EGADLP Cc1ccc(CCCNc2ccc(CC[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000353846851 456933597 /nfs/dbraw/zinc/93/35/97/456933597.db2.gz OFOJXRLXTJGYBY-UHFFFAOYSA-N 2 2 339.483 3.309 20 0 EGADLP COc1cccc(C[C@H](C)[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000349316263 456939282 /nfs/dbraw/zinc/93/92/82/456939282.db2.gz WIWOYJAOEPDMBL-YRNRMSPPSA-N 2 2 327.472 3.302 20 0 EGADLP Cc1ccc(CCC[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000353917029 456965101 /nfs/dbraw/zinc/96/51/01/456965101.db2.gz QMAAPKBLDZSNFV-UHFFFAOYSA-N 2 2 334.467 3.400 20 0 EGADLP CCn1nccc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349420028 456966742 /nfs/dbraw/zinc/96/67/42/456966742.db2.gz PXIBLFCGPQITNK-UHFFFAOYSA-N 2 2 343.862 3.455 20 0 EGADLP CCn1nccc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349420028 456966748 /nfs/dbraw/zinc/96/67/48/456966748.db2.gz PXIBLFCGPQITNK-UHFFFAOYSA-N 2 2 343.862 3.455 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353948400 456976140 /nfs/dbraw/zinc/97/61/40/456976140.db2.gz UMRALOBIEUNAFJ-OLZOCXBDSA-N 2 2 344.377 3.310 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353948400 456976142 /nfs/dbraw/zinc/97/61/42/456976142.db2.gz UMRALOBIEUNAFJ-OLZOCXBDSA-N 2 2 344.377 3.310 20 0 EGADLP CCc1nocc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000339180036 456979740 /nfs/dbraw/zinc/97/97/40/456979740.db2.gz NCOVFUNDDQOZGP-IYBDPMFKSA-N 2 2 343.471 3.136 20 0 EGADLP CCc1nocc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000339180036 456979742 /nfs/dbraw/zinc/97/97/42/456979742.db2.gz NCOVFUNDDQOZGP-IYBDPMFKSA-N 2 2 343.471 3.136 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000346275563 457028617 /nfs/dbraw/zinc/02/86/17/457028617.db2.gz KZFFRFWJUASJER-NRFANRHFSA-N 3 2 338.499 3.180 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000346275563 457028619 /nfs/dbraw/zinc/02/86/19/457028619.db2.gz KZFFRFWJUASJER-NRFANRHFSA-N 3 2 338.499 3.180 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000346275563 457028623 /nfs/dbraw/zinc/02/86/23/457028623.db2.gz KZFFRFWJUASJER-NRFANRHFSA-N 3 2 338.499 3.180 20 0 EGADLP CC(C)(CO)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccnc1 ZINC000354077491 457046631 /nfs/dbraw/zinc/04/66/31/457046631.db2.gz DUBZRSXQUOVQLX-IBGZPJMESA-N 2 2 336.439 3.117 20 0 EGADLP COc1cc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000349790207 457053258 /nfs/dbraw/zinc/05/32/58/457053258.db2.gz IRCKJGSYIPEJAT-UHFFFAOYSA-N 2 2 332.488 3.463 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000354101509 457063112 /nfs/dbraw/zinc/06/31/12/457063112.db2.gz VBTDOJZJOWNVIO-KRWDZBQOSA-N 2 2 330.472 3.012 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000354101509 457063113 /nfs/dbraw/zinc/06/31/13/457063113.db2.gz VBTDOJZJOWNVIO-KRWDZBQOSA-N 2 2 330.472 3.012 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000354101509 457063115 /nfs/dbraw/zinc/06/31/15/457063115.db2.gz VBTDOJZJOWNVIO-KRWDZBQOSA-N 2 2 330.472 3.012 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000354101509 457063117 /nfs/dbraw/zinc/06/31/17/457063117.db2.gz VBTDOJZJOWNVIO-KRWDZBQOSA-N 2 2 330.472 3.012 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000354106759 457065850 /nfs/dbraw/zinc/06/58/50/457065850.db2.gz LTJLXDGEBOZFPA-MRXNPFEDSA-N 2 2 328.460 3.142 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000354106759 457065853 /nfs/dbraw/zinc/06/58/53/457065853.db2.gz LTJLXDGEBOZFPA-MRXNPFEDSA-N 2 2 328.460 3.142 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354106759 457065855 /nfs/dbraw/zinc/06/58/55/457065855.db2.gz LTJLXDGEBOZFPA-MRXNPFEDSA-N 2 2 328.460 3.142 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000354106759 457065856 /nfs/dbraw/zinc/06/58/56/457065856.db2.gz LTJLXDGEBOZFPA-MRXNPFEDSA-N 2 2 328.460 3.142 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354108988 457068714 /nfs/dbraw/zinc/06/87/14/457068714.db2.gz YAQNGONNXBQVKE-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1OC ZINC000354108988 457068721 /nfs/dbraw/zinc/06/87/21/457068721.db2.gz YAQNGONNXBQVKE-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000354108988 457068726 /nfs/dbraw/zinc/06/87/26/457068726.db2.gz YAQNGONNXBQVKE-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000354108988 457068730 /nfs/dbraw/zinc/06/87/30/457068730.db2.gz YAQNGONNXBQVKE-SFHVURJKSA-N 2 2 332.488 3.258 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000359525917 457092661 /nfs/dbraw/zinc/09/26/61/457092661.db2.gz SXSJMSGVWFRULO-ICSRJNTNSA-N 2 2 332.488 3.019 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653611 457094211 /nfs/dbraw/zinc/09/42/11/457094211.db2.gz DUSGYZHWHIIZAJ-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(Br)c2OC(F)F)C1 ZINC000346653611 457094215 /nfs/dbraw/zinc/09/42/15/457094215.db2.gz DUSGYZHWHIIZAJ-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000346657562 457097396 /nfs/dbraw/zinc/09/73/96/457097396.db2.gz OEEJYVGXYDUHBK-OLZOCXBDSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000346657562 457097401 /nfs/dbraw/zinc/09/74/01/457097401.db2.gz OEEJYVGXYDUHBK-OLZOCXBDSA-N 2 2 328.378 3.299 20 0 EGADLP Cc1ccc(CCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000339410360 457097393 /nfs/dbraw/zinc/09/73/93/457097393.db2.gz RIPZWSXFNLKZTN-NRFANRHFSA-N 3 2 338.499 3.362 20 0 EGADLP Cc1ccc(CCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000339410360 457097400 /nfs/dbraw/zinc/09/74/00/457097400.db2.gz RIPZWSXFNLKZTN-NRFANRHFSA-N 3 2 338.499 3.362 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000354174751 457110070 /nfs/dbraw/zinc/11/00/70/457110070.db2.gz YFFRVFWGBLXTNE-SFHVURJKSA-N 2 2 342.487 3.057 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c(C(C)C)nc2s1 ZINC000354175668 457111003 /nfs/dbraw/zinc/11/10/03/457111003.db2.gz HCWRNMDRJIQZTB-SFHVURJKSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c(C(C)C)nc2s1 ZINC000354175668 457111006 /nfs/dbraw/zinc/11/10/06/457111006.db2.gz HCWRNMDRJIQZTB-SFHVURJKSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)c(C(C)C)nc2s1 ZINC000354175668 457111009 /nfs/dbraw/zinc/11/10/09/457111009.db2.gz HCWRNMDRJIQZTB-SFHVURJKSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)c(C(C)C)nc2s1 ZINC000354175668 457111011 /nfs/dbraw/zinc/11/10/11/457111011.db2.gz HCWRNMDRJIQZTB-SFHVURJKSA-N 2 2 347.532 3.140 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429282 457112620 /nfs/dbraw/zinc/11/26/20/457112620.db2.gz RKXHSTACSGOUIJ-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429282 457112627 /nfs/dbraw/zinc/11/26/27/457112627.db2.gz RKXHSTACSGOUIJ-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429282 457112631 /nfs/dbraw/zinc/11/26/31/457112631.db2.gz RKXHSTACSGOUIJ-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)C1 ZINC000339429282 457112637 /nfs/dbraw/zinc/11/26/37/457112637.db2.gz RKXHSTACSGOUIJ-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432531 457114942 /nfs/dbraw/zinc/11/49/42/457114942.db2.gz ATVGFJSJGGOXTQ-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432531 457114947 /nfs/dbraw/zinc/11/49/47/457114947.db2.gz ATVGFJSJGGOXTQ-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000339432531 457114951 /nfs/dbraw/zinc/11/49/51/457114951.db2.gz ATVGFJSJGGOXTQ-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000339432531 457114954 /nfs/dbraw/zinc/11/49/54/457114954.db2.gz ATVGFJSJGGOXTQ-RXVVDRJESA-N 2 2 343.515 3.357 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+](C)Cc2ccccc2)CC1 ZINC000354183395 457116141 /nfs/dbraw/zinc/11/61/41/457116141.db2.gz ZZHSYTRTIBMIBH-UHFFFAOYSA-N 2 2 332.488 3.220 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000354183395 457116148 /nfs/dbraw/zinc/11/61/48/457116148.db2.gz ZZHSYTRTIBMIBH-UHFFFAOYSA-N 2 2 332.488 3.220 20 0 EGADLP CC(C)CC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000362833804 457116251 /nfs/dbraw/zinc/11/62/51/457116251.db2.gz GDLOZNACOXMHJV-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000362833804 457116257 /nfs/dbraw/zinc/11/62/57/457116257.db2.gz GDLOZNACOXMHJV-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000342129080 457124625 /nfs/dbraw/zinc/12/46/25/457124625.db2.gz NCLKZYRYBHMLPO-RIEGTJTDSA-N 2 2 339.270 3.200 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@@H]21 ZINC000342129080 457124630 /nfs/dbraw/zinc/12/46/30/457124630.db2.gz NCLKZYRYBHMLPO-RIEGTJTDSA-N 2 2 339.270 3.200 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000354204769 457128918 /nfs/dbraw/zinc/12/89/18/457128918.db2.gz OTIRJLKCRFTQAQ-LNLFQRSKSA-N 2 2 331.504 3.011 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000354204769 457128924 /nfs/dbraw/zinc/12/89/24/457128924.db2.gz OTIRJLKCRFTQAQ-LNLFQRSKSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000354204769 457128929 /nfs/dbraw/zinc/12/89/29/457128929.db2.gz OTIRJLKCRFTQAQ-LNLFQRSKSA-N 2 2 331.504 3.011 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000354204769 457128933 /nfs/dbraw/zinc/12/89/33/457128933.db2.gz OTIRJLKCRFTQAQ-LNLFQRSKSA-N 2 2 331.504 3.011 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211008 457133803 /nfs/dbraw/zinc/13/38/03/457133803.db2.gz VFDRNNWSCIVMLQ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211008 457133809 /nfs/dbraw/zinc/13/38/09/457133809.db2.gz VFDRNNWSCIVMLQ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211008 457133811 /nfs/dbraw/zinc/13/38/11/457133811.db2.gz VFDRNNWSCIVMLQ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(SC)cc2)C[C@@H]1C ZINC000354211008 457133817 /nfs/dbraw/zinc/13/38/17/457133817.db2.gz VFDRNNWSCIVMLQ-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218316 457137764 /nfs/dbraw/zinc/13/77/64/457137764.db2.gz AXRQFLKMHRPWRU-PXNSSMCTSA-N 2 2 345.531 3.377 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218316 457137770 /nfs/dbraw/zinc/13/77/70/457137770.db2.gz AXRQFLKMHRPWRU-PXNSSMCTSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218316 457137778 /nfs/dbraw/zinc/13/77/78/457137778.db2.gz AXRQFLKMHRPWRU-PXNSSMCTSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218316 457137783 /nfs/dbraw/zinc/13/77/83/457137783.db2.gz AXRQFLKMHRPWRU-PXNSSMCTSA-N 2 2 345.531 3.377 20 0 EGADLP COc1ccc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC000346742710 457143245 /nfs/dbraw/zinc/14/32/45/457143245.db2.gz XZDYOSNNFLOIDI-UHFFFAOYSA-N 2 2 337.467 3.334 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798631 457176062 /nfs/dbraw/zinc/17/60/62/457176062.db2.gz PWPMIGHQJSTDQO-SUNYJGFJSA-N 2 2 330.476 3.104 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000346798631 457176067 /nfs/dbraw/zinc/17/60/67/457176067.db2.gz PWPMIGHQJSTDQO-SUNYJGFJSA-N 2 2 330.476 3.104 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356866139 457187281 /nfs/dbraw/zinc/18/72/81/457187281.db2.gz LUQWTMCDKFRBKR-KRWDZBQOSA-N 2 2 344.421 3.251 20 0 EGADLP CCN1CCN(c2c(C)c[nH+]c3c(C)cccc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000359989806 457188314 /nfs/dbraw/zinc/18/83/14/457188314.db2.gz AQIXSCXVJOBSBF-KRWDZBQOSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@@H+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C[C@H]1c1ncc[nH]1 ZINC000359989806 457188320 /nfs/dbraw/zinc/18/83/20/457188320.db2.gz AQIXSCXVJOBSBF-KRWDZBQOSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@H+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C[C@H]1c1ncc[nH]1 ZINC000359989806 457188325 /nfs/dbraw/zinc/18/83/25/457188325.db2.gz AQIXSCXVJOBSBF-KRWDZBQOSA-N 2 2 335.455 3.458 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000347075350 457217477 /nfs/dbraw/zinc/21/74/77/457217477.db2.gz HDMQWGXYFWDDPO-OAHLLOKOSA-N 2 2 341.436 3.353 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)sc2c1 ZINC000347075350 457217482 /nfs/dbraw/zinc/21/74/82/457217482.db2.gz HDMQWGXYFWDDPO-OAHLLOKOSA-N 2 2 341.436 3.353 20 0 EGADLP CCN(CCC[NH+](CC)CC)C(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000357092493 457318597 /nfs/dbraw/zinc/31/85/97/457318597.db2.gz FRVPXZWGOVNFBY-UHFFFAOYSA-N 2 2 330.476 3.076 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357132873 457338971 /nfs/dbraw/zinc/33/89/71/457338971.db2.gz NSERDMXYARAADO-AAEUAGOBSA-N 2 2 341.318 3.212 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357132873 457338974 /nfs/dbraw/zinc/33/89/74/457338974.db2.gz NSERDMXYARAADO-AAEUAGOBSA-N 2 2 341.318 3.212 20 0 EGADLP COc1ccc(C[C@H](C)C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1F ZINC000355730545 457407777 /nfs/dbraw/zinc/40/77/77/457407777.db2.gz ROGVCPGZZZITSK-KBXCAEBGSA-N 2 2 340.508 3.040 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccoc2)no1 ZINC000360945459 457452696 /nfs/dbraw/zinc/45/26/96/457452696.db2.gz DZJDRCJGXMYJDI-HOCLYGCPSA-N 2 2 332.448 3.320 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000352568214 457472324 /nfs/dbraw/zinc/47/23/24/457472324.db2.gz WOHBQGMHQMAOHC-SFHVURJKSA-N 2 2 328.435 3.321 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000394770944 457473279 /nfs/dbraw/zinc/47/32/79/457473279.db2.gz YBOSLTXLWMPOPV-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000394770944 457473286 /nfs/dbraw/zinc/47/32/86/457473286.db2.gz YBOSLTXLWMPOPV-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP C[C@H](C[NH2+]Cc1c(F)cccc1Br)C[NH+]1CCCC1 ZINC000394758698 457473452 /nfs/dbraw/zinc/47/34/52/457473452.db2.gz RNLZXOCXIMMCOS-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398034017 457494187 /nfs/dbraw/zinc/49/41/87/457494187.db2.gz OSOOQWIIMLWAMR-CMKODMSKSA-N 2 2 345.531 3.182 20 0 EGADLP CCCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398034017 457494193 /nfs/dbraw/zinc/49/41/93/457494193.db2.gz OSOOQWIIMLWAMR-CMKODMSKSA-N 2 2 345.531 3.182 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1C ZINC000425328826 457499273 /nfs/dbraw/zinc/49/92/73/457499273.db2.gz SEHGVRRLGNQFDT-OAHLLOKOSA-N 2 2 332.879 3.347 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1C ZINC000425328826 457499277 /nfs/dbraw/zinc/49/92/77/457499277.db2.gz SEHGVRRLGNQFDT-OAHLLOKOSA-N 2 2 332.879 3.347 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000360998667 457500621 /nfs/dbraw/zinc/50/06/21/457500621.db2.gz QIFDBCXWBHTHCV-LJQANCHMSA-N 2 2 332.488 3.249 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400369105 457512872 /nfs/dbraw/zinc/51/28/72/457512872.db2.gz GJGFXOHVGAIILC-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP Cc1[nH+]ccn1CCCN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000347579615 457522948 /nfs/dbraw/zinc/52/29/48/457522948.db2.gz JZTNOQPVFGQMQX-QZTJIDSGSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579615 457522954 /nfs/dbraw/zinc/52/29/54/457522954.db2.gz JZTNOQPVFGQMQX-QZTJIDSGSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000347579615 457522958 /nfs/dbraw/zinc/52/29/58/457522958.db2.gz JZTNOQPVFGQMQX-QZTJIDSGSA-N 2 2 326.488 3.176 20 0 EGADLP CCCCCC[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364204995 457524937 /nfs/dbraw/zinc/52/49/37/457524937.db2.gz DJKXSDKNGFLGNL-MSOLQXFVSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364204995 457524942 /nfs/dbraw/zinc/52/49/42/457524942.db2.gz DJKXSDKNGFLGNL-MSOLQXFVSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccnn1-c1ccccc1 ZINC000374231161 457535638 /nfs/dbraw/zinc/53/56/38/457535638.db2.gz OYQRIBKHHCKATC-MRXNPFEDSA-N 2 2 335.455 3.298 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254961 457552189 /nfs/dbraw/zinc/55/21/89/457552189.db2.gz HQVGNCJRECXSER-MAUKXSAKSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254961 457552193 /nfs/dbraw/zinc/55/21/93/457552193.db2.gz HQVGNCJRECXSER-MAUKXSAKSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254961 457552198 /nfs/dbraw/zinc/55/21/98/457552198.db2.gz HQVGNCJRECXSER-MAUKXSAKSA-N 2 2 349.544 3.299 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000356254961 457552201 /nfs/dbraw/zinc/55/22/01/457552201.db2.gz HQVGNCJRECXSER-MAUKXSAKSA-N 2 2 349.544 3.299 20 0 EGADLP CC[NH+](CC)[C@H]1CCN(c2cc(COC)[nH+]c3ccc(F)cc32)C1 ZINC000357505204 457569203 /nfs/dbraw/zinc/56/92/03/457569203.db2.gz AEBZLEGNMYHWLZ-INIZCTEOSA-N 2 2 331.435 3.441 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC12CCOCC2)Cc1ccccc1 ZINC000374295555 457573025 /nfs/dbraw/zinc/57/30/25/457573025.db2.gz MMGASVXWPIJFJD-PMACEKPBSA-N 2 2 330.516 3.488 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361087912 457576174 /nfs/dbraw/zinc/57/61/74/457576174.db2.gz NZPOHCAIWSDGGV-UHFFFAOYSA-N 3 2 329.492 3.361 20 0 EGADLP COCc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357538526 457586103 /nfs/dbraw/zinc/58/61/03/457586103.db2.gz RUASYNZZTYCJRS-HNNXBMFYSA-N 2 2 345.462 3.332 20 0 EGADLP COCc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357538526 457586108 /nfs/dbraw/zinc/58/61/08/457586108.db2.gz RUASYNZZTYCJRS-HNNXBMFYSA-N 2 2 345.462 3.332 20 0 EGADLP Brc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cs1 ZINC000370260215 457601851 /nfs/dbraw/zinc/60/18/51/457601851.db2.gz GREVQJOQMWQDCB-UHFFFAOYSA-N 2 2 326.263 3.333 20 0 EGADLP Cc1cc(CNc2cc(C)[nH+]c(C(C)C)n2)cc(N2CCCC2)[nH+]1 ZINC000357620163 457627081 /nfs/dbraw/zinc/62/70/81/457627081.db2.gz SUJSAXLJVIIEDW-UHFFFAOYSA-N 2 2 325.460 3.246 20 0 EGADLP Cc1cc(CNc2[nH+]c3cccc(F)c3n2C)cc(N2CCCC2)[nH+]1 ZINC000357623561 457629048 /nfs/dbraw/zinc/62/90/48/457629048.db2.gz SFXSVMCNNIYVDL-UHFFFAOYSA-N 2 2 339.418 3.050 20 0 EGADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000374577327 457664691 /nfs/dbraw/zinc/66/46/91/457664691.db2.gz RJOJLUIGWFYDRP-WMZOPIPTSA-N 2 2 343.471 3.445 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000364759803 457687801 /nfs/dbraw/zinc/68/78/01/457687801.db2.gz WHHSDHVQXLFEQR-MRXNPFEDSA-N 2 2 348.450 3.290 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3Cc4ccccc4C[C@H]3C)c2cc1C ZINC000357790716 457691002 /nfs/dbraw/zinc/69/10/02/457691002.db2.gz FHDSXOJMBKTUEG-YLJYHZDGSA-N 2 2 349.478 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3Cc4ccccc4C[C@H]3C)c2cc1C ZINC000357790716 457691004 /nfs/dbraw/zinc/69/10/04/457691004.db2.gz FHDSXOJMBKTUEG-YLJYHZDGSA-N 2 2 349.478 3.461 20 0 EGADLP C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361344028 457700738 /nfs/dbraw/zinc/70/07/38/457700738.db2.gz BASSJZXBIRZXRN-CYBMUJFWSA-N 2 2 326.366 3.017 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358013305 457739053 /nfs/dbraw/zinc/73/90/53/457739053.db2.gz AHPLLBREJUXSIY-OLZOCXBDSA-N 2 2 327.350 3.490 20 0 EGADLP CC(C)Sc1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000358048176 457753084 /nfs/dbraw/zinc/75/30/84/457753084.db2.gz MCXVKWHRVCVCNQ-UHFFFAOYSA-N 2 2 330.501 3.228 20 0 EGADLP CC1(C)CC([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000433139777 457764752 /nfs/dbraw/zinc/76/47/52/457764752.db2.gz YRBOIUGMUGLTFV-UHFFFAOYSA-N 2 2 329.532 3.363 20 0 EGADLP Cc1cccc(NC[C@@H]2CCN(c3[nH+]c4cccc(F)c4n3C)C2)[nH+]1 ZINC000443515220 457774125 /nfs/dbraw/zinc/77/41/25/457774125.db2.gz ACSHCEZHYVRUEN-AWEZNQCLSA-N 2 2 339.418 3.354 20 0 EGADLP CC1(C)OCc2cc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000375076131 457782826 /nfs/dbraw/zinc/78/28/26/457782826.db2.gz YSOUIVDQMQOHQB-OAHLLOKOSA-N 2 2 327.428 3.434 20 0 EGADLP CC1(C)OCc2cc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)ccc2O1 ZINC000375076131 457782834 /nfs/dbraw/zinc/78/28/34/457782834.db2.gz YSOUIVDQMQOHQB-OAHLLOKOSA-N 2 2 327.428 3.434 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000361563059 457798512 /nfs/dbraw/zinc/79/85/12/457798512.db2.gz DXOLPOIPDIEUKX-UHFFFAOYSA-N 2 2 345.409 3.327 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000361563059 457798519 /nfs/dbraw/zinc/79/85/19/457798519.db2.gz DXOLPOIPDIEUKX-UHFFFAOYSA-N 2 2 345.409 3.327 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137416 457808623 /nfs/dbraw/zinc/80/86/23/457808623.db2.gz GPUZVTZPOPMBSA-HNAYVOBHSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137416 457808627 /nfs/dbraw/zinc/80/86/27/457808627.db2.gz GPUZVTZPOPMBSA-HNAYVOBHSA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000433363183 457821810 /nfs/dbraw/zinc/82/18/10/457821810.db2.gz GZQRCGKMKPHGSA-INIZCTEOSA-N 2 2 348.450 3.425 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000358175577 457836062 /nfs/dbraw/zinc/83/60/62/457836062.db2.gz YUURWBSUBRQJCL-UONOGXRCSA-N 2 2 341.293 3.211 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1OC(F)F ZINC000366532604 457841240 /nfs/dbraw/zinc/84/12/40/457841240.db2.gz DSBCPSHUYTVCAM-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1OC(F)F ZINC000366532604 457841243 /nfs/dbraw/zinc/84/12/43/457841243.db2.gz DSBCPSHUYTVCAM-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1OC(F)F ZINC000366532604 457841250 /nfs/dbraw/zinc/84/12/50/457841250.db2.gz DSBCPSHUYTVCAM-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CCOc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1OC(F)F ZINC000366532604 457841252 /nfs/dbraw/zinc/84/12/52/457841252.db2.gz DSBCPSHUYTVCAM-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295599 457853719 /nfs/dbraw/zinc/85/37/19/457853719.db2.gz STYNDXFCLYLEPF-IKGGRYGDSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295599 457853723 /nfs/dbraw/zinc/85/37/23/457853723.db2.gz STYNDXFCLYLEPF-IKGGRYGDSA-N 2 2 347.484 3.087 20 0 EGADLP O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000444258671 457874618 /nfs/dbraw/zinc/87/46/18/457874618.db2.gz JVRSOKOUGPULPC-CQSZACIVSA-N 2 2 345.830 3.399 20 0 EGADLP C[NH+](C)CC1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCCCC1 ZINC000427083881 457941730 /nfs/dbraw/zinc/94/17/30/457941730.db2.gz DYIVWLLELCXUKK-UHFFFAOYSA-N 2 2 340.471 3.205 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCC(C)C ZINC000427124565 457947653 /nfs/dbraw/zinc/94/76/53/457947653.db2.gz SVDTYMAYJUWSRT-QZTJIDSGSA-N 2 2 332.488 3.304 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCC(C)C ZINC000427124565 457947656 /nfs/dbraw/zinc/94/76/56/457947656.db2.gz SVDTYMAYJUWSRT-QZTJIDSGSA-N 2 2 332.488 3.304 20 0 EGADLP CCN(C)c1ccc(CNc2[nH+]c3cc(F)ccc3n2CC)c[nH+]1 ZINC000358366008 457958946 /nfs/dbraw/zinc/95/89/46/457958946.db2.gz DUMCWNVKTDQWCE-UHFFFAOYSA-N 2 2 327.407 3.080 20 0 EGADLP COC(=O)[C@@H](C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCC1 ZINC000361937942 457968139 /nfs/dbraw/zinc/96/81/39/457968139.db2.gz PPFPHWNQFILVNC-OAHLLOKOSA-N 2 2 327.428 3.097 20 0 EGADLP COC(=O)[C@@H](C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CCC1 ZINC000361937942 457968144 /nfs/dbraw/zinc/96/81/44/457968144.db2.gz PPFPHWNQFILVNC-OAHLLOKOSA-N 2 2 327.428 3.097 20 0 EGADLP CCC1(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCOCC1 ZINC000358484529 458029569 /nfs/dbraw/zinc/02/95/69/458029569.db2.gz RWZYCWPDVGXFFU-UHFFFAOYSA-N 2 2 346.519 3.231 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(OC(F)(F)F)c1 ZINC000427850484 458044320 /nfs/dbraw/zinc/04/43/20/458044320.db2.gz PREBPRKJKPMAKX-DGCLKSJQSA-N 2 2 325.334 3.447 20 0 EGADLP Fc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000427869401 458045591 /nfs/dbraw/zinc/04/55/91/458045591.db2.gz WJAALWOWISDUJP-DNVCBOLYSA-N 2 2 340.377 3.250 20 0 EGADLP CCOc1cc2[nH+]ccc(N(C)Cc3[nH]cc[nH+]3)c2cc1OCC ZINC000428122862 458082742 /nfs/dbraw/zinc/08/27/42/458082742.db2.gz CQKQZEUXYVOLTI-UHFFFAOYSA-N 2 2 326.400 3.392 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099981 /nfs/dbraw/zinc/09/99/81/458099981.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099990 /nfs/dbraw/zinc/09/99/90/458099990.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458099996 /nfs/dbraw/zinc/09/99/96/458099996.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428226327 458100001 /nfs/dbraw/zinc/10/00/01/458100001.db2.gz GXCDFSGHWNBELW-QHAWAJNXSA-N 3 2 329.532 3.219 20 0 EGADLP CCc1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000428235957 458102502 /nfs/dbraw/zinc/10/25/02/458102502.db2.gz INHZNEWQHZATGW-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000428235957 458102509 /nfs/dbraw/zinc/10/25/09/458102509.db2.gz INHZNEWQHZATGW-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000428235957 458102515 /nfs/dbraw/zinc/10/25/15/458102515.db2.gz INHZNEWQHZATGW-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP CCc1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000428235957 458102521 /nfs/dbraw/zinc/10/25/21/458102521.db2.gz INHZNEWQHZATGW-SFHVURJKSA-N 2 2 327.472 3.499 20 0 EGADLP COc1cc(C[N@@H+]2CCC[NH2+]CC2)c(-c2ccccc2)cc1OC ZINC000435373244 458124725 /nfs/dbraw/zinc/12/47/25/458124725.db2.gz DALSDEZARZAIQB-UHFFFAOYSA-N 2 2 326.440 3.166 20 0 EGADLP COc1cc(C[N@H+]2CCC[NH2+]CC2)c(-c2ccccc2)cc1OC ZINC000435373244 458124731 /nfs/dbraw/zinc/12/47/31/458124731.db2.gz DALSDEZARZAIQB-UHFFFAOYSA-N 2 2 326.440 3.166 20 0 EGADLP Cc1cccc2[nH+]cc(CN(Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)n21 ZINC000435395853 458135242 /nfs/dbraw/zinc/13/52/42/458135242.db2.gz VJBZDJMOSLMMSW-LJQANCHMSA-N 2 2 349.482 3.182 20 0 EGADLP COc1cccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435444787 458150042 /nfs/dbraw/zinc/15/00/42/458150042.db2.gz SRFUGHZWXKQGTD-INIZCTEOSA-N 2 2 331.485 3.072 20 0 EGADLP COc1cccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435444787 458150049 /nfs/dbraw/zinc/15/00/49/458150049.db2.gz SRFUGHZWXKQGTD-INIZCTEOSA-N 2 2 331.485 3.072 20 0 EGADLP CCCCC1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369275198 458153111 /nfs/dbraw/zinc/15/31/11/458153111.db2.gz WJOLKVNAFSSUNC-ACBHZAAOSA-N 2 2 349.563 3.268 20 0 EGADLP CCCCC1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369275198 458153115 /nfs/dbraw/zinc/15/31/15/458153115.db2.gz WJOLKVNAFSSUNC-ACBHZAAOSA-N 2 2 349.563 3.268 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613398 458173057 /nfs/dbraw/zinc/17/30/57/458173057.db2.gz JPQQCBONMYDFAF-OAHLLOKOSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613398 458173061 /nfs/dbraw/zinc/17/30/61/458173061.db2.gz JPQQCBONMYDFAF-OAHLLOKOSA-N 2 2 343.393 3.108 20 0 EGADLP C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626367 458176968 /nfs/dbraw/zinc/17/69/68/458176968.db2.gz ODVIHWXUJRYCHR-AEFFLSMTSA-N 2 2 339.483 3.091 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1cccc2ccccc21 ZINC000435626367 458176975 /nfs/dbraw/zinc/17/69/75/458176975.db2.gz ODVIHWXUJRYCHR-AEFFLSMTSA-N 2 2 339.483 3.091 20 0 EGADLP COC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(F)c1 ZINC000376147564 458213210 /nfs/dbraw/zinc/21/32/10/458213210.db2.gz CIHHAWKJLRYHRL-QGZVFWFLSA-N 2 2 335.398 3.017 20 0 EGADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000435886080 458217846 /nfs/dbraw/zinc/21/78/46/458217846.db2.gz RVQSKKIRBYHGFV-CQSZACIVSA-N 2 2 344.240 3.038 20 0 EGADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000435886080 458217851 /nfs/dbraw/zinc/21/78/51/458217851.db2.gz RVQSKKIRBYHGFV-CQSZACIVSA-N 2 2 344.240 3.038 20 0 EGADLP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831243 458233024 /nfs/dbraw/zinc/23/30/24/458233024.db2.gz BZQCEOYUPHQTBN-UXHICEINSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831243 458233030 /nfs/dbraw/zinc/23/30/30/458233030.db2.gz BZQCEOYUPHQTBN-UXHICEINSA-N 2 2 343.515 3.156 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459112205 458268750 /nfs/dbraw/zinc/26/87/50/458268750.db2.gz GMYCBUGEMQIHDD-UHFFFAOYSA-N 2 2 334.508 3.208 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3cccnc3)CC1)CCO2 ZINC000436481267 458310683 /nfs/dbraw/zinc/31/06/83/458310683.db2.gz VZTWPRLVALEDKM-IBGZPJMESA-N 2 2 341.430 3.299 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000414894713 458326190 /nfs/dbraw/zinc/32/61/90/458326190.db2.gz LJGOTLZVSQDLHT-RTBURBONSA-N 2 2 344.430 3.078 20 0 EGADLP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000459389183 458355965 /nfs/dbraw/zinc/35/59/65/458355965.db2.gz MOXICVAFVXOKTP-FQEVSTJZSA-N 2 2 327.516 3.040 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000372986665 458367471 /nfs/dbraw/zinc/36/74/71/458367471.db2.gz WFKFMGYXHIANNE-GOSISDBHSA-N 2 2 344.503 3.187 20 0 EGADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000372986665 458367473 /nfs/dbraw/zinc/36/74/73/458367473.db2.gz WFKFMGYXHIANNE-GOSISDBHSA-N 2 2 344.503 3.187 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2Br)C1 ZINC000459435932 458370255 /nfs/dbraw/zinc/37/02/55/458370255.db2.gz XVQOZTCWZQDBGG-QWHCGFSZSA-N 2 2 327.266 3.117 20 0 EGADLP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376766773 458386341 /nfs/dbraw/zinc/38/63/41/458386341.db2.gz GFQYKTNMEBILHJ-UHFFFAOYSA-N 2 2 341.455 3.465 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459552868 458408356 /nfs/dbraw/zinc/40/83/56/458408356.db2.gz WCGLGLGVHISWAB-UHFFFAOYSA-N 2 2 332.473 3.356 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(Br)ccc2F)CCC[NH2+]1 ZINC000423447529 458434794 /nfs/dbraw/zinc/43/47/94/458434794.db2.gz ZUCGHGPIHNHDOE-IAQYHMDHSA-N 2 2 345.256 3.007 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)oc21 ZINC000373224356 458435737 /nfs/dbraw/zinc/43/57/37/458435737.db2.gz SLPUSOCSIJJBTQ-XIRDDKMYSA-N 2 2 344.455 3.345 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)oc21 ZINC000373224356 458435741 /nfs/dbraw/zinc/43/57/41/458435741.db2.gz SLPUSOCSIJJBTQ-XIRDDKMYSA-N 2 2 344.455 3.345 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373225920 458436719 /nfs/dbraw/zinc/43/67/19/458436719.db2.gz GSGRXXAXOGMWLJ-GOSISDBHSA-N 2 2 343.471 3.215 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373225920 458436722 /nfs/dbraw/zinc/43/67/22/458436722.db2.gz GSGRXXAXOGMWLJ-GOSISDBHSA-N 2 2 343.471 3.215 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2ccc(F)cc2)s1 ZINC000423472450 458437332 /nfs/dbraw/zinc/43/73/32/458437332.db2.gz FVIKHOQWGLVECL-CJNGLKHVSA-N 2 2 333.476 3.108 20 0 EGADLP Fc1ccc(C([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccc(F)cc2)cc1 ZINC000423495286 458443701 /nfs/dbraw/zinc/44/37/01/458443701.db2.gz UIXQARSZVVCHSM-SFHVURJKSA-N 2 2 332.394 3.022 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000423503548 458444808 /nfs/dbraw/zinc/44/48/08/458444808.db2.gz MTHOOOJSKDSTIT-OXJNMPFZSA-N 2 2 339.483 3.280 20 0 EGADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423516014 458448857 /nfs/dbraw/zinc/44/88/57/458448857.db2.gz AKTDXGRMXOAKNK-QWFCFKBJSA-N 3 2 329.532 3.394 20 0 EGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423527752 458453076 /nfs/dbraw/zinc/45/30/76/458453076.db2.gz VXMPADCDAAGJEL-IAGOWNOFSA-N 2 2 343.437 3.286 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000423580117 458459202 /nfs/dbraw/zinc/45/92/02/458459202.db2.gz XGMKWSJSVRTVCG-KRWDZBQOSA-N 3 2 341.474 3.470 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430575363 458463698 /nfs/dbraw/zinc/46/36/98/458463698.db2.gz QUCMHZHLTJEIKU-XLIONFOSSA-N 2 2 349.494 3.136 20 0 EGADLP COCCN(C)c1ccc(CNc2ccc(C[NH+](C)C)c(C)c2)c[nH+]1 ZINC000459755092 458470008 /nfs/dbraw/zinc/47/00/08/458470008.db2.gz JOTKWGJUCWWTNS-UHFFFAOYSA-N 2 2 342.487 3.146 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602600 458470111 /nfs/dbraw/zinc/47/01/11/458470111.db2.gz WRQGZGGVYKXQFK-ILZDJORESA-N 2 2 337.467 3.426 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602600 458470115 /nfs/dbraw/zinc/47/01/15/458470115.db2.gz WRQGZGGVYKXQFK-ILZDJORESA-N 2 2 337.467 3.426 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621691 458473026 /nfs/dbraw/zinc/47/30/26/458473026.db2.gz DWDHRSDGWPIJBX-UWJYYQICSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C(C)C)cc1 ZINC000430621691 458473027 /nfs/dbraw/zinc/47/30/27/458473027.db2.gz DWDHRSDGWPIJBX-UWJYYQICSA-N 2 2 345.531 3.294 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648589 458474215 /nfs/dbraw/zinc/47/42/15/458474215.db2.gz ZMXHYFNKWXWHFE-WFASDCNBSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000430648589 458474220 /nfs/dbraw/zinc/47/42/20/458474220.db2.gz ZMXHYFNKWXWHFE-WFASDCNBSA-N 2 2 334.851 3.134 20 0 EGADLP CC(C)n1ccnc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335674 458496735 /nfs/dbraw/zinc/49/67/35/458496735.db2.gz HRXLUOOTEBGEAU-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335674 458496739 /nfs/dbraw/zinc/49/67/39/458496739.db2.gz HRXLUOOTEBGEAU-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335674 458496747 /nfs/dbraw/zinc/49/67/47/458496747.db2.gz HRXLUOOTEBGEAU-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1ccnc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377335674 458496749 /nfs/dbraw/zinc/49/67/49/458496749.db2.gz HRXLUOOTEBGEAU-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP [NH3+]C[C@H]1CC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916374 458503727 /nfs/dbraw/zinc/50/37/27/458503727.db2.gz AFVDJIPRTQAHAR-QAPCUYQASA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+]C[C@H]1CC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430916374 458503730 /nfs/dbraw/zinc/50/37/30/458503730.db2.gz AFVDJIPRTQAHAR-QAPCUYQASA-N 2 2 334.423 3.107 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000430916838 458505498 /nfs/dbraw/zinc/50/54/98/458505498.db2.gz IKMRIEULJFUKIS-OLMNPRSZSA-N 2 2 349.494 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000430916838 458505507 /nfs/dbraw/zinc/50/55/07/458505507.db2.gz IKMRIEULJFUKIS-OLMNPRSZSA-N 2 2 349.494 3.088 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430935909 458507626 /nfs/dbraw/zinc/50/76/26/458507626.db2.gz WGPDHBJDQOSDBM-GPMSIDNRSA-N 2 2 337.467 3.350 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430935909 458507631 /nfs/dbraw/zinc/50/76/31/458507631.db2.gz WGPDHBJDQOSDBM-GPMSIDNRSA-N 2 2 337.467 3.350 20 0 EGADLP Oc1cc(F)cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000373498286 458510539 /nfs/dbraw/zinc/51/05/39/458510539.db2.gz YERFNJYBBBPLHF-UHFFFAOYSA-N 2 2 346.368 3.426 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430963273 458511334 /nfs/dbraw/zinc/51/13/34/458511334.db2.gz TYDNGUZLMPQEAS-QFBILLFUSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000430963273 458511335 /nfs/dbraw/zinc/51/13/35/458511335.db2.gz TYDNGUZLMPQEAS-QFBILLFUSA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430963609 458511770 /nfs/dbraw/zinc/51/17/70/458511770.db2.gz AJLUHPIZUWDWPB-GHMZBOCLSA-N 2 2 340.349 3.097 20 0 EGADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430963609 458511776 /nfs/dbraw/zinc/51/17/76/458511776.db2.gz AJLUHPIZUWDWPB-GHMZBOCLSA-N 2 2 340.349 3.097 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC(C)CC1 ZINC000373552455 458530714 /nfs/dbraw/zinc/53/07/14/458530714.db2.gz RKBOSIGPKSBFFS-JLMIFGBASA-N 2 2 345.531 3.477 20 0 EGADLP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC(C)CC1 ZINC000373552455 458530721 /nfs/dbraw/zinc/53/07/21/458530721.db2.gz RKBOSIGPKSBFFS-JLMIFGBASA-N 2 2 345.531 3.477 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000431434902 458572321 /nfs/dbraw/zinc/57/23/21/458572321.db2.gz PCZVYQLUZZLYOK-CXAGYDPISA-N 2 2 328.435 3.166 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000431434902 458572326 /nfs/dbraw/zinc/57/23/26/458572326.db2.gz PCZVYQLUZZLYOK-CXAGYDPISA-N 2 2 328.435 3.166 20 0 EGADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772259 458591260 /nfs/dbraw/zinc/59/12/60/458591260.db2.gz KPJWPNFHMPBYSC-IAGOWNOFSA-N 2 2 344.421 3.245 20 0 EGADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469772259 458591266 /nfs/dbraw/zinc/59/12/66/458591266.db2.gz KPJWPNFHMPBYSC-IAGOWNOFSA-N 2 2 344.421 3.245 20 0 EGADLP CC[NH+](CC)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)Cc1ccccc1 ZINC000493889542 458595520 /nfs/dbraw/zinc/59/55/20/458595520.db2.gz WFACABOJFMEVQL-XRXFAXGQSA-N 2 2 342.527 3.487 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430268 458641251 /nfs/dbraw/zinc/64/12/51/458641251.db2.gz ZPRVCNUDVXLMSC-KRWDZBQOSA-N 2 2 341.459 3.429 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369019 458650152 /nfs/dbraw/zinc/65/01/52/458650152.db2.gz HRHANHKYZIPILV-RDTXWAMCSA-N 2 2 338.455 3.303 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369019 458650159 /nfs/dbraw/zinc/65/01/59/458650159.db2.gz HRHANHKYZIPILV-RDTXWAMCSA-N 2 2 338.455 3.303 20 0 EGADLP CCCc1csc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000494296268 458656093 /nfs/dbraw/zinc/65/60/93/458656093.db2.gz RZWSZWNRWQUEMW-UHFFFAOYSA-N 2 2 345.512 3.218 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470966598 458672202 /nfs/dbraw/zinc/67/22/02/458672202.db2.gz JZEUZMQECFRFGI-APWZRJJASA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470966598 458672210 /nfs/dbraw/zinc/67/22/10/458672210.db2.gz JZEUZMQECFRFGI-APWZRJJASA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470966598 458672218 /nfs/dbraw/zinc/67/22/18/458672218.db2.gz JZEUZMQECFRFGI-APWZRJJASA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470966598 458672223 /nfs/dbraw/zinc/67/22/23/458672223.db2.gz JZEUZMQECFRFGI-APWZRJJASA-N 2 2 343.515 3.240 20 0 EGADLP Clc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000494433104 458675637 /nfs/dbraw/zinc/67/56/37/458675637.db2.gz VHOOWYMLPLHYOD-NSHDSACASA-N 2 2 340.652 3.404 20 0 EGADLP Cn1nccc1CC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503180400 458696590 /nfs/dbraw/zinc/69/65/90/458696590.db2.gz CCMRMMDODGZJLU-HXUWFJFHSA-N 2 2 340.515 3.025 20 0 EGADLP Cn1nccc1CC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503180400 458696595 /nfs/dbraw/zinc/69/65/95/458696595.db2.gz CCMRMMDODGZJLU-HXUWFJFHSA-N 2 2 340.515 3.025 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000547654651 458769433 /nfs/dbraw/zinc/76/94/33/458769433.db2.gz VGLXEYUZKCTXNY-UKRRQHHQSA-N 2 2 346.862 3.167 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCCC1CCCCC1 ZINC000495004973 458782695 /nfs/dbraw/zinc/78/26/95/458782695.db2.gz NQMXPQWBPPUKFP-KRWDZBQOSA-N 2 2 332.492 3.066 20 0 EGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCCC1CCCCC1 ZINC000495004973 458782698 /nfs/dbraw/zinc/78/26/98/458782698.db2.gz NQMXPQWBPPUKFP-KRWDZBQOSA-N 2 2 332.492 3.066 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504689 458800137 /nfs/dbraw/zinc/80/01/37/458800137.db2.gz QYRZCJLFQTUWLZ-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504689 458800142 /nfs/dbraw/zinc/80/01/42/458800142.db2.gz QYRZCJLFQTUWLZ-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000472504689 458800145 /nfs/dbraw/zinc/80/01/45/458800145.db2.gz QYRZCJLFQTUWLZ-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000472504689 458800150 /nfs/dbraw/zinc/80/01/50/458800150.db2.gz QYRZCJLFQTUWLZ-IEBWSBKVSA-N 2 2 343.515 3.294 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)[N@H+](C)Cc1ccccc1 ZINC000440629412 458834910 /nfs/dbraw/zinc/83/49/10/458834910.db2.gz YLAUNLUBCXIKDX-ZDUSSCGKSA-N 2 2 340.393 3.429 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000440629412 458834913 /nfs/dbraw/zinc/83/49/13/458834913.db2.gz YLAUNLUBCXIKDX-ZDUSSCGKSA-N 2 2 340.393 3.429 20 0 EGADLP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@H+](CC)c2ccccc2)C1 ZINC000465618838 458836881 /nfs/dbraw/zinc/83/68/81/458836881.db2.gz MILJNGNMLMAHSC-IBGZPJMESA-N 2 2 346.519 3.029 20 0 EGADLP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@@H+](CC)c2ccccc2)C1 ZINC000465618838 458836886 /nfs/dbraw/zinc/83/68/86/458836886.db2.gz MILJNGNMLMAHSC-IBGZPJMESA-N 2 2 346.519 3.029 20 0 EGADLP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000518164322 458845863 /nfs/dbraw/zinc/84/58/63/458845863.db2.gz NHKPMAYRIKNDKG-JXFKEZNVSA-N 2 2 347.466 3.164 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000474468875 458886976 /nfs/dbraw/zinc/88/69/76/458886976.db2.gz FIXQEKWJOMOPDI-OBXNSHGQSA-N 2 2 346.515 3.261 20 0 EGADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000474463838 458887258 /nfs/dbraw/zinc/88/72/58/458887258.db2.gz HOFBKYSKADLOPY-DLBZAZTESA-N 2 2 326.550 3.143 20 0 EGADLP CC[NH+](CC)CCCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000518780194 458893757 /nfs/dbraw/zinc/89/37/57/458893757.db2.gz NDZCNIQYEHEIRH-QGZVFWFLSA-N 2 2 334.508 3.195 20 0 EGADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000474803806 458902001 /nfs/dbraw/zinc/90/20/01/458902001.db2.gz HPIJGYBBIAPVBJ-MOPGFXCFSA-N 2 2 338.536 3.064 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441332350 458921253 /nfs/dbraw/zinc/92/12/53/458921253.db2.gz QYCOFXVHQMVKPL-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441332350 458921256 /nfs/dbraw/zinc/92/12/56/458921256.db2.gz QYCOFXVHQMVKPL-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441332350 458921259 /nfs/dbraw/zinc/92/12/59/458921259.db2.gz QYCOFXVHQMVKPL-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441332350 458921264 /nfs/dbraw/zinc/92/12/64/458921264.db2.gz QYCOFXVHQMVKPL-YOEHRIQHSA-N 2 2 337.895 3.473 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441350031 458925419 /nfs/dbraw/zinc/92/54/19/458925419.db2.gz GVLCDQXEIQPEBQ-UYAOXDASSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000441350031 458925425 /nfs/dbraw/zinc/92/54/25/458925425.db2.gz GVLCDQXEIQPEBQ-UYAOXDASSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000441350031 458925432 /nfs/dbraw/zinc/92/54/32/458925432.db2.gz GVLCDQXEIQPEBQ-UYAOXDASSA-N 2 2 345.531 3.287 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000441350031 458925437 /nfs/dbraw/zinc/92/54/37/458925437.db2.gz GVLCDQXEIQPEBQ-UYAOXDASSA-N 2 2 345.531 3.287 20 0 EGADLP CC/C=C/CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823803 458926000 /nfs/dbraw/zinc/92/60/00/458926000.db2.gz RMELRFFHXBPYNE-YADGQWAMSA-N 2 2 342.531 3.272 20 0 EGADLP CC/C=C/CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000466823803 458926004 /nfs/dbraw/zinc/92/60/04/458926004.db2.gz RMELRFFHXBPYNE-YADGQWAMSA-N 2 2 342.531 3.272 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441362834 458926384 /nfs/dbraw/zinc/92/63/84/458926384.db2.gz ICDRUHRZWHHMNE-FQEVSTJZSA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441362834 458926389 /nfs/dbraw/zinc/92/63/89/458926389.db2.gz ICDRUHRZWHHMNE-FQEVSTJZSA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441362834 458926395 /nfs/dbraw/zinc/92/63/95/458926395.db2.gz ICDRUHRZWHHMNE-FQEVSTJZSA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441362834 458926399 /nfs/dbraw/zinc/92/63/99/458926399.db2.gz ICDRUHRZWHHMNE-FQEVSTJZSA-N 2 2 345.531 3.230 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441452896 458947377 /nfs/dbraw/zinc/94/73/77/458947377.db2.gz VAFSYXGBNXWCCX-RBUKOAKNSA-N 2 2 337.552 3.125 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441452896 458947383 /nfs/dbraw/zinc/94/73/83/458947383.db2.gz VAFSYXGBNXWCCX-RBUKOAKNSA-N 2 2 337.552 3.125 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000475514747 458948889 /nfs/dbraw/zinc/94/88/89/458948889.db2.gz SOZXRJJLPWCWIH-QGZVFWFLSA-N 2 2 329.488 3.379 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000475514747 458948893 /nfs/dbraw/zinc/94/88/93/458948893.db2.gz SOZXRJJLPWCWIH-QGZVFWFLSA-N 2 2 329.488 3.379 20 0 EGADLP CCn1ccnc1[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000577214447 458998514 /nfs/dbraw/zinc/99/85/14/458998514.db2.gz TWXYGKFCAZCTAC-GBESFXJTSA-N 2 2 340.471 3.105 20 0 EGADLP C[N@H+](Cc1ccc2c(n1)CCC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000556786831 459009389 /nfs/dbraw/zinc/00/93/89/459009389.db2.gz POFDSYUYWBZEPL-UHFFFAOYSA-N 2 2 341.421 3.419 20 0 EGADLP C[N@@H+](Cc1ccc2c(n1)CCC2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000556786831 459009393 /nfs/dbraw/zinc/00/93/93/459009393.db2.gz POFDSYUYWBZEPL-UHFFFAOYSA-N 2 2 341.421 3.419 20 0 EGADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000566924635 459022250 /nfs/dbraw/zinc/02/22/50/459022250.db2.gz RZSYANTXFFPPLW-ROUUACIJSA-N 2 2 349.906 3.076 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442750277 459030430 /nfs/dbraw/zinc/03/04/30/459030430.db2.gz AQMNXGQESNRDQY-KBPBESRZSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)cs2)cc1 ZINC000442750277 459030435 /nfs/dbraw/zinc/03/04/35/459030435.db2.gz AQMNXGQESNRDQY-KBPBESRZSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754744 459031352 /nfs/dbraw/zinc/03/13/52/459031352.db2.gz IOHJISSMVFRSDD-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754744 459031360 /nfs/dbraw/zinc/03/13/60/459031360.db2.gz IOHJISSMVFRSDD-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[N@@H+](C[C@@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C1CC1 ZINC000567105187 459047889 /nfs/dbraw/zinc/04/78/89/459047889.db2.gz ZRGWMOGNROCUSQ-KRWDZBQOSA-N 2 2 336.439 3.097 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274170 459061177 /nfs/dbraw/zinc/06/11/77/459061177.db2.gz UYJFZZDBHNXJCA-ZBEGNZNMSA-N 2 2 341.268 3.203 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000557274170 459061171 /nfs/dbraw/zinc/06/11/71/459061171.db2.gz UYJFZZDBHNXJCA-ZBEGNZNMSA-N 2 2 341.268 3.203 20 0 EGADLP CCSCc1cc[nH+]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000594497930 459061725 /nfs/dbraw/zinc/06/17/25/459061725.db2.gz LRXSYQHOIWRAST-KRWDZBQOSA-N 2 2 335.517 3.390 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000567203717 459062909 /nfs/dbraw/zinc/06/29/09/459062909.db2.gz CHNCNZZGHSPELM-UHFFFAOYSA-N 2 2 330.476 3.126 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000567203717 459062911 /nfs/dbraw/zinc/06/29/11/459062911.db2.gz CHNCNZZGHSPELM-UHFFFAOYSA-N 2 2 330.476 3.126 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513120 459071186 /nfs/dbraw/zinc/07/11/86/459071186.db2.gz LDBVIVDQSJKQRP-RYRKJORJSA-N 2 2 332.488 3.389 20 0 EGADLP C[C@H](C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000594513120 459071189 /nfs/dbraw/zinc/07/11/89/459071189.db2.gz LDBVIVDQSJKQRP-RYRKJORJSA-N 2 2 332.488 3.389 20 0 EGADLP Cc1cccn2c(C[NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c[nH+]c12 ZINC000496132698 459080632 /nfs/dbraw/zinc/08/06/32/459080632.db2.gz GMAOQZOBLZBGNU-KGLIPLIRSA-N 2 2 332.448 3.034 20 0 EGADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000532966728 459166443 /nfs/dbraw/zinc/16/64/43/459166443.db2.gz OVEDNIRJDAKZDZ-HINLZNOGSA-N 2 2 330.516 3.190 20 0 EGADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000532966728 459166446 /nfs/dbraw/zinc/16/64/46/459166446.db2.gz OVEDNIRJDAKZDZ-HINLZNOGSA-N 2 2 330.516 3.190 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)[C@@H](C)C1 ZINC000479877567 459171445 /nfs/dbraw/zinc/17/14/45/459171445.db2.gz WMSNOIJFZSPOIQ-LZWOXQAQSA-N 2 2 341.421 3.214 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)[C@@H](C)C1 ZINC000479877567 459171452 /nfs/dbraw/zinc/17/14/52/459171452.db2.gz WMSNOIJFZSPOIQ-LZWOXQAQSA-N 2 2 341.421 3.214 20 0 EGADLP COc1cc(C[N@H+](C)[C@H]2CC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000567864316 459180275 /nfs/dbraw/zinc/18/02/75/459180275.db2.gz YVBUJHKZYUAVDF-KRWDZBQOSA-N 2 2 326.440 3.165 20 0 EGADLP COc1cc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000567864316 459180282 /nfs/dbraw/zinc/18/02/82/459180282.db2.gz YVBUJHKZYUAVDF-KRWDZBQOSA-N 2 2 326.440 3.165 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cc[nH+]c1 ZINC000578538036 459219467 /nfs/dbraw/zinc/21/94/67/459219467.db2.gz NMHPFWCPCRNRCH-AOIWGVFYSA-N 2 2 340.471 3.004 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cc[nH+]c1 ZINC000578538039 459220190 /nfs/dbraw/zinc/22/01/90/459220190.db2.gz NMHPFWCPCRNRCH-ZIFCJYIRSA-N 2 2 340.471 3.004 20 0 EGADLP CSCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595068689 459234218 /nfs/dbraw/zinc/23/42/18/459234218.db2.gz JUDBDCFXLSXCCS-WMZOPIPTSA-N 2 2 333.545 3.415 20 0 EGADLP CSCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000595068689 459234222 /nfs/dbraw/zinc/23/42/22/459234222.db2.gz JUDBDCFXLSXCCS-WMZOPIPTSA-N 2 2 333.545 3.415 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)ccn12 ZINC000568189742 459244214 /nfs/dbraw/zinc/24/42/14/459244214.db2.gz RWLHDHFGCNSJQI-APWZRJJASA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)ccn12 ZINC000568189742 459244220 /nfs/dbraw/zinc/24/42/20/459244220.db2.gz RWLHDHFGCNSJQI-APWZRJJASA-N 2 2 348.450 3.208 20 0 EGADLP FC(F)(F)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000559763687 459276246 /nfs/dbraw/zinc/27/62/46/459276246.db2.gz USLCKTFCIXUNHZ-KRWDZBQOSA-N 2 2 342.405 3.392 20 0 EGADLP FC(F)(F)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000559763687 459276249 /nfs/dbraw/zinc/27/62/49/459276249.db2.gz USLCKTFCIXUNHZ-KRWDZBQOSA-N 2 2 342.405 3.392 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000559959550 459287149 /nfs/dbraw/zinc/28/71/49/459287149.db2.gz WVBVHRPKRJZHPH-NVXWUHKLSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000559959550 459287155 /nfs/dbraw/zinc/28/71/55/459287155.db2.gz WVBVHRPKRJZHPH-NVXWUHKLSA-N 2 2 326.488 3.491 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(C)c1 ZINC000534129579 459293026 /nfs/dbraw/zinc/29/30/26/459293026.db2.gz WVVVANZFCXRBHT-UHFFFAOYSA-N 2 2 338.455 3.213 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082615 459310670 /nfs/dbraw/zinc/31/06/70/459310670.db2.gz SAXVONCDSKEQGT-KBPBESRZSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082615 459310672 /nfs/dbraw/zinc/31/06/72/459310672.db2.gz SAXVONCDSKEQGT-KBPBESRZSA-N 2 2 332.835 3.201 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000482882978 459329610 /nfs/dbraw/zinc/32/96/10/459329610.db2.gz HZLXRJUDNMJHBO-OALUTQOASA-N 2 2 343.540 3.176 20 0 EGADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000482882978 459329615 /nfs/dbraw/zinc/32/96/15/459329615.db2.gz HZLXRJUDNMJHBO-OALUTQOASA-N 2 2 343.540 3.176 20 0 EGADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000560404996 459339876 /nfs/dbraw/zinc/33/98/76/459339876.db2.gz KIINMOIWVRBXNQ-KBPBESRZSA-N 2 2 325.294 3.484 20 0 EGADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(Br)c1 ZINC000560404996 459339879 /nfs/dbraw/zinc/33/98/79/459339879.db2.gz KIINMOIWVRBXNQ-KBPBESRZSA-N 2 2 325.294 3.484 20 0 EGADLP Cc1nc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090878 459426460 /nfs/dbraw/zinc/42/64/60/459426460.db2.gz WCNWXVGNXIAOMX-HOCLYGCPSA-N 2 2 328.504 3.151 20 0 EGADLP Cc1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090878 459426462 /nfs/dbraw/zinc/42/64/62/459426462.db2.gz WCNWXVGNXIAOMX-HOCLYGCPSA-N 2 2 328.504 3.151 20 0 EGADLP FC(F)n1c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000591915725 459482090 /nfs/dbraw/zinc/48/20/90/459482090.db2.gz JOYOQZMTRBURQD-CYBMUJFWSA-N 2 2 331.370 3.465 20 0 EGADLP FC(F)n1c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccc21 ZINC000591915725 459482094 /nfs/dbraw/zinc/48/20/94/459482094.db2.gz JOYOQZMTRBURQD-CYBMUJFWSA-N 2 2 331.370 3.465 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000569622446 459482224 /nfs/dbraw/zinc/48/22/24/459482224.db2.gz IWFYIHAFBUYIHI-CVEARBPZSA-N 2 2 335.467 3.253 20 0 EGADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000572933866 459597181 /nfs/dbraw/zinc/59/71/81/459597181.db2.gz NYYICICNAAGUFN-MRXNPFEDSA-N 2 2 340.427 3.432 20 0 EGADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000572933866 459597186 /nfs/dbraw/zinc/59/71/86/459597186.db2.gz NYYICICNAAGUFN-MRXNPFEDSA-N 2 2 340.427 3.432 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1c(C)cc(C)[nH+]c1C)CCC2 ZINC000573180135 459637496 /nfs/dbraw/zinc/63/74/96/459637496.db2.gz JYTOIACZIUYGKE-OAHLLOKOSA-N 2 2 327.432 3.211 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000573436745 459677581 /nfs/dbraw/zinc/67/75/81/459677581.db2.gz FUSZTMWYMIYBFG-AYOQOUSVSA-N 2 2 335.923 3.455 20 0 EGADLP CC1CC[NH+](CCC[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527633027 459677932 /nfs/dbraw/zinc/67/79/32/459677932.db2.gz RHBLPGRCLCOUBN-UHFFFAOYSA-N 2 2 344.272 3.195 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527650683 459683962 /nfs/dbraw/zinc/68/39/62/459683962.db2.gz AGERMNCMOBNYPD-UHFFFAOYSA-N 2 2 336.423 3.357 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccsc2S1 ZINC000562980781 459684669 /nfs/dbraw/zinc/68/46/69/459684669.db2.gz LMFMIBLORMTBQF-GWCFXTLKSA-N 2 2 349.529 3.048 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000562988944 459686711 /nfs/dbraw/zinc/68/67/11/459686711.db2.gz ULFJPGPCWADFJF-IBGZPJMESA-N 2 2 337.467 3.318 20 0 EGADLP CC(C)COc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000573581691 459701149 /nfs/dbraw/zinc/70/11/49/459701149.db2.gz NVYXXPUSCBWDSD-HXUWFJFHSA-N 2 2 346.515 3.266 20 0 EGADLP COc1cccc([C@H](C[NH2+]Cc2c[nH+]c3ccc(C)cn23)OC)c1 ZINC000527738412 459719533 /nfs/dbraw/zinc/71/95/33/459719533.db2.gz OQGWSLDKZUIZJZ-SFHVURJKSA-N 2 2 325.412 3.129 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020369 459720017 /nfs/dbraw/zinc/72/00/17/459720017.db2.gz DFHABDXTHFEZKO-HNNXBMFYSA-N 2 2 334.891 3.439 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020369 459720023 /nfs/dbraw/zinc/72/00/23/459720023.db2.gz DFHABDXTHFEZKO-HNNXBMFYSA-N 2 2 334.891 3.439 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020369 459720026 /nfs/dbraw/zinc/72/00/26/459720026.db2.gz DFHABDXTHFEZKO-HNNXBMFYSA-N 2 2 334.891 3.439 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000544020369 459720030 /nfs/dbraw/zinc/72/00/30/459720030.db2.gz DFHABDXTHFEZKO-HNNXBMFYSA-N 2 2 334.891 3.439 20 0 EGADLP CC(C)OC(=O)C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000597132153 459846843 /nfs/dbraw/zinc/84/68/43/459846843.db2.gz GWRQPUWODITAKE-KRWDZBQOSA-N 2 2 327.428 3.002 20 0 EGADLP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000597155517 459854088 /nfs/dbraw/zinc/85/40/88/459854088.db2.gz TZWRKQTXJIMIJA-INIZCTEOSA-N 2 2 333.476 3.211 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000575139533 459934332 /nfs/dbraw/zinc/93/43/32/459934332.db2.gz KQSUPTXPVGOAPL-OAGGEKHMSA-N 2 2 347.507 3.089 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000575139533 459934337 /nfs/dbraw/zinc/93/43/37/459934337.db2.gz KQSUPTXPVGOAPL-OAGGEKHMSA-N 2 2 347.507 3.089 20 0 EGADLP CCOc1cncc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000621713514 460019727 /nfs/dbraw/zinc/01/97/27/460019727.db2.gz NLSRLMLAKYYMKK-GOSISDBHSA-N 2 2 331.504 3.424 20 0 EGADLP CCOc1cncc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000621713514 460019735 /nfs/dbraw/zinc/01/97/35/460019735.db2.gz NLSRLMLAKYYMKK-GOSISDBHSA-N 2 2 331.504 3.424 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779421 460061279 /nfs/dbraw/zinc/06/12/79/460061279.db2.gz FBMZICYOZIOTKG-RXVVDRJESA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779421 460061283 /nfs/dbraw/zinc/06/12/83/460061283.db2.gz FBMZICYOZIOTKG-RXVVDRJESA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783598 460061899 /nfs/dbraw/zinc/06/18/99/460061899.db2.gz DGZRMXLFUWJBFK-LAUBAEHRSA-N 2 2 332.451 3.315 20 0 EGADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783598 460061909 /nfs/dbraw/zinc/06/19/09/460061909.db2.gz DGZRMXLFUWJBFK-LAUBAEHRSA-N 2 2 332.451 3.315 20 0 EGADLP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)Nc1cc(Cl)ccc1Cl ZINC000625438695 460172428 /nfs/dbraw/zinc/17/24/28/460172428.db2.gz SBGNXBWZGBOQBM-UHFFFAOYSA-N 2 2 339.226 3.103 20 0 EGADLP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)Nc1cc(Cl)ccc1Cl ZINC000625438695 460172435 /nfs/dbraw/zinc/17/24/35/460172435.db2.gz SBGNXBWZGBOQBM-UHFFFAOYSA-N 2 2 339.226 3.103 20 0 EGADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000602939803 460193498 /nfs/dbraw/zinc/19/34/98/460193498.db2.gz FTDWEDLAQZRFQV-QGZVFWFLSA-N 2 2 339.439 3.477 20 0 EGADLP Clc1cccc(SCC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625544703 460202659 /nfs/dbraw/zinc/20/26/59/460202659.db2.gz XWKHNXKHHRBOGF-UHFFFAOYSA-N 2 2 340.920 3.229 20 0 EGADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000615302813 460307313 /nfs/dbraw/zinc/30/73/13/460307313.db2.gz OQKYZJIATMALCB-RHSMWYFYSA-N 2 2 325.412 3.039 20 0 EGADLP Cc1noc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000615316398 460308708 /nfs/dbraw/zinc/30/87/08/460308708.db2.gz SYKNFQDLSJYMAC-GJZGRUSLSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1noc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000615316398 460308710 /nfs/dbraw/zinc/30/87/10/460308710.db2.gz SYKNFQDLSJYMAC-GJZGRUSLSA-N 2 2 328.460 3.461 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740926 460338373 /nfs/dbraw/zinc/33/83/73/460338373.db2.gz XUXUEDMPSCTFRB-QRVBRYPASA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740926 460338377 /nfs/dbraw/zinc/33/83/77/460338377.db2.gz XUXUEDMPSCTFRB-QRVBRYPASA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740926 460338381 /nfs/dbraw/zinc/33/83/81/460338381.db2.gz XUXUEDMPSCTFRB-QRVBRYPASA-N 2 2 344.499 3.413 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000603740926 460338386 /nfs/dbraw/zinc/33/83/86/460338386.db2.gz XUXUEDMPSCTFRB-QRVBRYPASA-N 2 2 344.499 3.413 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089196 460408125 /nfs/dbraw/zinc/40/81/25/460408125.db2.gz ZGXMVKKCTYSHEI-UHFFFAOYSA-N 2 2 335.398 3.007 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1C(=O)OC(C)(C)C ZINC000600195473 460433276 /nfs/dbraw/zinc/43/32/76/460433276.db2.gz JMKFOIVZXIFBQE-GDBMZVCRSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1C(=O)OC(C)(C)C ZINC000600195473 460433280 /nfs/dbraw/zinc/43/32/80/460433280.db2.gz JMKFOIVZXIFBQE-GDBMZVCRSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)CCc1c[nH]c2ccccc12)C[NH+]1CCOCC1 ZINC000631583644 460456371 /nfs/dbraw/zinc/45/63/71/460456371.db2.gz ZVBJOPJSLYDKNY-IRXDYDNUSA-N 2 2 329.488 3.047 20 0 EGADLP CN(C)c1c(F)c(F)ccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000623352834 460505900 /nfs/dbraw/zinc/50/59/00/460505900.db2.gz PPMASWNWBTVFKG-UHFFFAOYSA-N 2 2 330.382 3.011 20 0 EGADLP CCc1cc(N2CCC[C@H](C)[C@H]2CC[NH3+])nc(-c2ccncc2)[nH+]1 ZINC000634811552 460532789 /nfs/dbraw/zinc/53/27/89/460532789.db2.gz JAQSVSAFQIHRJL-WMLDXEAASA-N 2 2 325.460 3.055 20 0 EGADLP COc1ccc(-c2nc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC000620757827 460764571 /nfs/dbraw/zinc/76/45/71/460764571.db2.gz ODNCSNPWFYVKNO-AWEZNQCLSA-N 2 2 342.468 3.441 20 0 EGADLP c1cn(-c2ccc(C[NH2+]CCN3CCCc4ccccc43)cc2)c[nH+]1 ZINC000620756874 460764789 /nfs/dbraw/zinc/76/47/89/460764789.db2.gz TWSDBTLLJAXDBR-UHFFFAOYSA-N 2 2 332.451 3.415 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000623903654 460770136 /nfs/dbraw/zinc/77/01/36/460770136.db2.gz MIRJZBVBPPASOS-QGZVFWFLSA-N 2 2 326.843 3.167 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ccncc1Br)CC1CCCC1 ZINC000629531768 460798147 /nfs/dbraw/zinc/79/81/47/460798147.db2.gz XPUHBAYINFJUGM-UHFFFAOYSA-N 2 2 326.282 3.185 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ccncc1Br)CC1CCCC1 ZINC000629531768 460798155 /nfs/dbraw/zinc/79/81/55/460798155.db2.gz XPUHBAYINFJUGM-UHFFFAOYSA-N 2 2 326.282 3.185 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CC[C@H]1C(F)(F)F ZINC000629655528 460848588 /nfs/dbraw/zinc/84/85/88/460848588.db2.gz LHSLYHRFOXKHKK-ZBHKTDLZSA-N 2 2 334.332 3.437 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CC[C@H]1C(F)(F)F ZINC000629655528 460848589 /nfs/dbraw/zinc/84/85/89/460848589.db2.gz LHSLYHRFOXKHKK-ZBHKTDLZSA-N 2 2 334.332 3.437 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1C(F)(F)F ZINC000629657281 460850756 /nfs/dbraw/zinc/85/07/56/460850756.db2.gz VRXVIRMKWKKNLB-PWSUYJOCSA-N 2 2 344.406 3.097 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CC[C@@H]1C(F)(F)F ZINC000629657281 460850762 /nfs/dbraw/zinc/85/07/62/460850762.db2.gz VRXVIRMKWKKNLB-PWSUYJOCSA-N 2 2 344.406 3.097 20 0 EGADLP O=C(Nc1ccc(-c2cccc(-c3[nH]cc[nH+]3)c2)cn1)[C@H]1CCC[NH2+]C1 ZINC000629708443 460880368 /nfs/dbraw/zinc/88/03/68/460880368.db2.gz GNVRACXOTRDIMS-KRWDZBQOSA-N 2 2 347.422 3.077 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3C4CCCC3CCC4)c2cc1C ZINC000608499692 461076723 /nfs/dbraw/zinc/07/67/23/461076723.db2.gz VMZIHQFGBABNPP-DAWZGUTISA-N 2 2 327.472 3.421 20 0 EGADLP Clc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCO2 ZINC000608499813 461076773 /nfs/dbraw/zinc/07/67/73/461076773.db2.gz IKUGMWLAKQHNJH-CQSZACIVSA-N 2 2 336.863 3.377 20 0 EGADLP Clc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCO2 ZINC000608499813 461076777 /nfs/dbraw/zinc/07/67/77/461076777.db2.gz IKUGMWLAKQHNJH-CQSZACIVSA-N 2 2 336.863 3.377 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000608565351 461083753 /nfs/dbraw/zinc/08/37/53/461083753.db2.gz LTGYBVGEFBSNKU-OAHLLOKOSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000608565351 461083757 /nfs/dbraw/zinc/08/37/57/461083757.db2.gz LTGYBVGEFBSNKU-OAHLLOKOSA-N 2 2 349.906 3.030 20 0 EGADLP COc1ccc(-c2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)on2)cc1 ZINC000662233332 461131637 /nfs/dbraw/zinc/13/16/37/461131637.db2.gz DIPLQCPKKSKIJT-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)on2)cc1 ZINC000662233332 461131646 /nfs/dbraw/zinc/13/16/46/461131646.db2.gz DIPLQCPKKSKIJT-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP CC(C)n1cc[nH+]c1CN(CCCc1ccccc1)CC[NH+](C)C ZINC000668159988 461146317 /nfs/dbraw/zinc/14/63/17/461146317.db2.gz OLIBFCHUQSUIGA-UHFFFAOYSA-N 2 2 328.504 3.460 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353480 461147087 /nfs/dbraw/zinc/14/70/87/461147087.db2.gz LNKWDTKNFRKLKX-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1CC[NH3+] ZINC000652353480 461147097 /nfs/dbraw/zinc/14/70/97/461147097.db2.gz LNKWDTKNFRKLKX-SWLSCSKDSA-N 2 2 343.393 3.093 20 0 EGADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353773 461148066 /nfs/dbraw/zinc/14/80/66/461148066.db2.gz CQRVGDLRHSOPJJ-RHSMWYFYSA-N 2 2 344.459 3.085 20 0 EGADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353773 461148070 /nfs/dbraw/zinc/14/80/70/461148070.db2.gz CQRVGDLRHSOPJJ-RHSMWYFYSA-N 2 2 344.459 3.085 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169363 /nfs/dbraw/zinc/16/93/63/461169363.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169370 /nfs/dbraw/zinc/16/93/70/461169370.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169376 /nfs/dbraw/zinc/16/93/76/461169376.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 2 338.499 3.312 20 0 EGADLP Cc1cncc(CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000649549159 461169381 /nfs/dbraw/zinc/16/93/81/461169381.db2.gz WCVPALCYWFDHJL-NQIIRXRSSA-N 2 2 338.499 3.312 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(CO)cc[nH+]2)C1 ZINC000641296172 461205908 /nfs/dbraw/zinc/20/59/08/461205908.db2.gz WOGJGLZRQPLEAR-INIZCTEOSA-N 2 2 325.456 3.418 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(CO)cc[nH+]2)C1 ZINC000641296172 461205916 /nfs/dbraw/zinc/20/59/16/461205916.db2.gz WOGJGLZRQPLEAR-INIZCTEOSA-N 2 2 325.456 3.418 20 0 EGADLP COc1cncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000638067277 461222476 /nfs/dbraw/zinc/22/24/76/461222476.db2.gz QZFAZQJXTMKHHC-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1cncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000638067277 461222483 /nfs/dbraw/zinc/22/24/83/461222483.db2.gz QZFAZQJXTMKHHC-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1cncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000638067277 461222489 /nfs/dbraw/zinc/22/24/89/461222489.db2.gz QZFAZQJXTMKHHC-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP COc1cncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000638067277 461222494 /nfs/dbraw/zinc/22/24/94/461222494.db2.gz QZFAZQJXTMKHHC-IBGZPJMESA-N 2 2 339.483 3.353 20 0 EGADLP Fc1c[nH+]ccc1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000641446117 461251281 /nfs/dbraw/zinc/25/12/81/461251281.db2.gz ZRKYHKJFRAETGY-UHFFFAOYSA-N 2 2 343.446 3.126 20 0 EGADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000646476467 461286447 /nfs/dbraw/zinc/28/64/47/461286447.db2.gz SBOAJLLMJTYDIW-KBXCAEBGSA-N 2 2 325.412 3.039 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000646526017 461316851 /nfs/dbraw/zinc/31/68/51/461316851.db2.gz FTGOIYNJNSGPGP-GOSISDBHSA-N 2 2 342.487 3.164 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])ccc2n1C1CC1 ZINC000646561988 461332257 /nfs/dbraw/zinc/33/22/57/461332257.db2.gz SAVFNMBQPAPRRK-OXQOHEQNSA-N 2 2 340.471 3.203 20 0 EGADLP CC(C)n1c[nH+]cc1CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000668565591 461335215 /nfs/dbraw/zinc/33/52/15/461335215.db2.gz AYUTZIXARYKHBI-IBGZPJMESA-N 2 2 326.488 3.213 20 0 EGADLP CC(C)n1c[nH+]cc1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000668565591 461335219 /nfs/dbraw/zinc/33/52/19/461335219.db2.gz AYUTZIXARYKHBI-IBGZPJMESA-N 2 2 326.488 3.213 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]CCC1CCOCC1)c1cccc(OC)c1 ZINC000638314645 461362757 /nfs/dbraw/zinc/36/27/57/461362757.db2.gz DMUJGQJTYFMENP-HXUWFJFHSA-N 2 2 334.504 3.484 20 0 EGADLP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000655694827 461367147 /nfs/dbraw/zinc/36/71/47/461367147.db2.gz GVIKHPQTACSMGE-ICSRJNTNSA-N 2 2 332.488 3.235 20 0 EGADLP Cn1c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc2ccccc21 ZINC000638383051 461399232 /nfs/dbraw/zinc/39/92/32/461399232.db2.gz AADFFXJEYVUOFE-UHFFFAOYSA-N 2 2 334.467 3.328 20 0 EGADLP Cc1cc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)ccc1F ZINC000655736631 461403511 /nfs/dbraw/zinc/40/35/11/461403511.db2.gz IETAUBIWBLTAOG-UYAOXDASSA-N 2 2 332.463 3.428 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655744044 461410177 /nfs/dbraw/zinc/41/01/77/461410177.db2.gz NSKJPOFDHUVJAK-CZUORRHYSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655744044 461410186 /nfs/dbraw/zinc/41/01/86/461410186.db2.gz NSKJPOFDHUVJAK-CZUORRHYSA-N 2 2 332.879 3.406 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000668746415 461412032 /nfs/dbraw/zinc/41/20/32/461412032.db2.gz ONFWSXKOCUCJHI-HXUWFJFHSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H](CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000666063663 461434288 /nfs/dbraw/zinc/43/42/88/461434288.db2.gz VCWLIAZLFXDBBU-AWEZNQCLSA-N 2 2 328.416 3.336 20 0 EGADLP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2cc(F)ccc2O1 ZINC000655792743 461452436 /nfs/dbraw/zinc/45/24/36/461452436.db2.gz OGOZFYNDKUIMDF-AEFFLSMTSA-N 2 2 348.462 3.271 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000659882622 461479700 /nfs/dbraw/zinc/47/97/00/461479700.db2.gz JUAOFJPMYJQURU-CQSZACIVSA-N 2 2 325.334 3.461 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000659882622 461479708 /nfs/dbraw/zinc/47/97/08/461479708.db2.gz JUAOFJPMYJQURU-CQSZACIVSA-N 2 2 325.334 3.461 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000653059963 461481786 /nfs/dbraw/zinc/48/17/86/461481786.db2.gz SSXPNACFDQMMCD-KRWDZBQOSA-N 2 2 337.423 3.317 20 0 EGADLP Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)c1 ZINC000653075377 461488970 /nfs/dbraw/zinc/48/89/70/461488970.db2.gz PCHDBALWNUJYTD-LJQANCHMSA-N 2 2 341.455 3.313 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)n2n1 ZINC000655848339 461496973 /nfs/dbraw/zinc/49/69/73/461496973.db2.gz FBFNHZYZFJOLLO-JCGIZDLHSA-N 2 2 327.476 3.014 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)c(C)n2n1 ZINC000655848339 461496979 /nfs/dbraw/zinc/49/69/79/461496979.db2.gz FBFNHZYZFJOLLO-JCGIZDLHSA-N 2 2 327.476 3.014 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000655850290 461497722 /nfs/dbraw/zinc/49/77/22/461497722.db2.gz UEBNLYXFFOWJGH-SZMVWBNQSA-N 2 2 332.488 3.241 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000655850290 461497728 /nfs/dbraw/zinc/49/77/28/461497728.db2.gz UEBNLYXFFOWJGH-SZMVWBNQSA-N 2 2 332.488 3.241 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655849861 461499302 /nfs/dbraw/zinc/49/93/02/461499302.db2.gz ZSLLOKFNUOHGIB-MSOLQXFVSA-N 2 2 335.536 3.020 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849861 461499309 /nfs/dbraw/zinc/49/93/09/461499309.db2.gz ZSLLOKFNUOHGIB-MSOLQXFVSA-N 2 2 335.536 3.020 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000631055052 461508826 /nfs/dbraw/zinc/50/88/26/461508826.db2.gz FQFHLVLSNSVSAY-FQEVSTJZSA-N 2 2 325.456 3.346 20 0 EGADLP CO[C@](C)(C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000638639155 461514231 /nfs/dbraw/zinc/51/42/31/461514231.db2.gz IULICXTVMFXKLK-FXAWDEMLSA-N 2 2 346.515 3.291 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000631101171 461552055 /nfs/dbraw/zinc/55/20/55/461552055.db2.gz HHMFXZWPOKFTPG-KDOFPFPSSA-N 2 2 349.837 3.362 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000631101171 461552061 /nfs/dbraw/zinc/55/20/61/461552061.db2.gz HHMFXZWPOKFTPG-KDOFPFPSSA-N 2 2 349.837 3.362 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000631128920 461573304 /nfs/dbraw/zinc/57/33/04/461573304.db2.gz RYICNHIKOOUOIF-INIZCTEOSA-N 2 2 346.496 3.310 20 0 EGADLP CC[NH+](CC)CC1CCN(c2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC000656109992 461595620 /nfs/dbraw/zinc/59/56/20/461595620.db2.gz MYFHGCOZOHVVNK-UHFFFAOYSA-N 2 2 332.492 3.229 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000660127003 461600243 /nfs/dbraw/zinc/60/02/43/461600243.db2.gz DJCSYIQULHUCED-AWEZNQCLSA-N 2 2 326.400 3.006 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)on1 ZINC000660127003 461600250 /nfs/dbraw/zinc/60/02/50/461600250.db2.gz DJCSYIQULHUCED-AWEZNQCLSA-N 2 2 326.400 3.006 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638825745 461602230 /nfs/dbraw/zinc/60/22/30/461602230.db2.gz ARKZFNZIVARSDZ-VYDXJSESSA-N 2 2 342.405 3.257 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638825745 461602235 /nfs/dbraw/zinc/60/22/35/461602235.db2.gz ARKZFNZIVARSDZ-VYDXJSESSA-N 2 2 342.405 3.257 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000631171236 461609938 /nfs/dbraw/zinc/60/99/38/461609938.db2.gz PFAVJKXCEMSLPG-MOPGFXCFSA-N 2 2 343.515 3.271 20 0 EGADLP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000631171236 461609946 /nfs/dbraw/zinc/60/99/46/461609946.db2.gz PFAVJKXCEMSLPG-MOPGFXCFSA-N 2 2 343.515 3.271 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCc3c([nH+]cn3-c3ccccc3)C2)C1 ZINC000660221084 461647692 /nfs/dbraw/zinc/64/76/92/461647692.db2.gz LVNHCLFTLKZTKP-QZTJIDSGSA-N 2 2 338.499 3.208 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1 ZINC000647363955 461659363 /nfs/dbraw/zinc/65/93/63/461659363.db2.gz OULMHIVQNHWEJG-HNNXBMFYSA-N 2 2 336.439 3.494 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280988 461704047 /nfs/dbraw/zinc/70/40/47/461704047.db2.gz PEXDMABDAKXLDH-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000656280988 461704049 /nfs/dbraw/zinc/70/40/49/461704049.db2.gz PEXDMABDAKXLDH-LJQANCHMSA-N 2 2 332.488 3.162 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000656281472 461704319 /nfs/dbraw/zinc/70/43/19/461704319.db2.gz XUVUBYNWEIWLKH-IBGZPJMESA-N 2 2 339.483 3.230 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000656281472 461704329 /nfs/dbraw/zinc/70/43/29/461704329.db2.gz XUVUBYNWEIWLKH-IBGZPJMESA-N 2 2 339.483 3.230 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CCO1 ZINC000639078643 461712250 /nfs/dbraw/zinc/71/22/50/461712250.db2.gz GJZNWMPWLJGBHM-LAVFITLUSA-N 2 2 347.503 3.356 20 0 EGADLP Cc1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)c[nH+]c1N1CCCC[C@H]1C ZINC000666615632 461720698 /nfs/dbraw/zinc/72/06/98/461720698.db2.gz AMYDRCJNYZBTBL-HZPDHXFCSA-N 2 2 347.507 3.231 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc(Cl)c1OC ZINC000647498615 461735688 /nfs/dbraw/zinc/73/56/88/461735688.db2.gz LCBSIRIYXCEHHA-ZFWWWQNUSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc(Cl)c1OC ZINC000647498615 461735696 /nfs/dbraw/zinc/73/56/96/461735696.db2.gz LCBSIRIYXCEHHA-ZFWWWQNUSA-N 2 2 326.868 3.307 20 0 EGADLP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000643472480 461740375 /nfs/dbraw/zinc/74/03/75/461740375.db2.gz FHVAWKXNIDGDPW-MJGOQNOKSA-N 2 2 325.456 3.290 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591242 461744083 /nfs/dbraw/zinc/74/40/83/461744083.db2.gz XHJZTEAFYRUXQT-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591242 461744091 /nfs/dbraw/zinc/74/40/91/461744091.db2.gz XHJZTEAFYRUXQT-KGLIPLIRSA-N 2 2 346.862 3.198 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501731 461746989 /nfs/dbraw/zinc/74/69/89/461746989.db2.gz OVMJYTWQMIRMIE-WFASDCNBSA-N 2 2 339.277 3.395 20 0 EGADLP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)[C@@H]2CCCO2)cc1 ZINC000643505773 461748914 /nfs/dbraw/zinc/74/89/14/461748914.db2.gz KJVDAWGDBVMHAT-JYJNAYRXSA-N 2 2 339.277 3.011 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000643531624 461753708 /nfs/dbraw/zinc/75/37/08/461753708.db2.gz XFHSVNBQTWQJCH-JLTOFOAXSA-N 2 2 335.451 3.109 20 0 EGADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])s2)cc1OC ZINC000643529312 461755442 /nfs/dbraw/zinc/75/54/42/461755442.db2.gz YLUGFLABEGYYPN-NWDGAFQWSA-N 2 2 349.500 3.057 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1C ZINC000669699141 461771917 /nfs/dbraw/zinc/77/19/17/461771917.db2.gz RIAAGOPNGFMYPQ-PKOBYXMFSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000669699141 461771920 /nfs/dbraw/zinc/77/19/20/461771920.db2.gz RIAAGOPNGFMYPQ-PKOBYXMFSA-N 2 2 326.488 3.291 20 0 EGADLP Cn1cc[nH+]c1[C@H](C1CC1)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000639170890 461779064 /nfs/dbraw/zinc/77/90/64/461779064.db2.gz JSQGRDYOCCQFGP-SFHVURJKSA-N 2 2 348.441 3.213 20 0 EGADLP COc1cc(Cl)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000639177524 461781827 /nfs/dbraw/zinc/78/18/27/461781827.db2.gz DZVPFOGGPVBWGL-SWLSCSKDSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000639177524 461781832 /nfs/dbraw/zinc/78/18/32/461781832.db2.gz DZVPFOGGPVBWGL-SWLSCSKDSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000639177524 461781836 /nfs/dbraw/zinc/78/18/36/461781836.db2.gz DZVPFOGGPVBWGL-SWLSCSKDSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000639177524 461781838 /nfs/dbraw/zinc/78/18/38/461781838.db2.gz DZVPFOGGPVBWGL-SWLSCSKDSA-N 2 2 326.868 3.129 20 0 EGADLP Cc1ccc(OCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC000660472311 461799011 /nfs/dbraw/zinc/79/90/11/461799011.db2.gz JBNUDWUKQMTUIL-HXUWFJFHSA-N 2 2 346.515 3.259 20 0 EGADLP Cc1ccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC000660472311 461799019 /nfs/dbraw/zinc/79/90/19/461799019.db2.gz JBNUDWUKQMTUIL-HXUWFJFHSA-N 2 2 346.515 3.259 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474382 461801597 /nfs/dbraw/zinc/80/15/97/461801597.db2.gz IEMVJSLMSRPAFD-VQTJNVASSA-N 2 2 328.500 3.293 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474382 461801600 /nfs/dbraw/zinc/80/16/00/461801600.db2.gz IEMVJSLMSRPAFD-VQTJNVASSA-N 2 2 328.500 3.293 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)C ZINC000639207215 461804206 /nfs/dbraw/zinc/80/42/06/461804206.db2.gz ZHNREDQYWLUJCN-HOJAQTOUSA-N 2 2 343.515 3.105 20 0 EGADLP CCNC(=O)[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(C)C ZINC000639207215 461804209 /nfs/dbraw/zinc/80/42/09/461804209.db2.gz ZHNREDQYWLUJCN-HOJAQTOUSA-N 2 2 343.515 3.105 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000660489446 461809943 /nfs/dbraw/zinc/80/99/43/461809943.db2.gz WVIWOVMFESIGLL-QGZVFWFLSA-N 2 2 329.444 3.074 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)on1 ZINC000660489446 461809948 /nfs/dbraw/zinc/80/99/48/461809948.db2.gz WVIWOVMFESIGLL-QGZVFWFLSA-N 2 2 329.444 3.074 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828254 461826745 /nfs/dbraw/zinc/82/67/45/461826745.db2.gz JYUCQJQFTOACDD-QGZVFWFLSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828254 461826755 /nfs/dbraw/zinc/82/67/55/461826755.db2.gz JYUCQJQFTOACDD-QGZVFWFLSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828254 461826763 /nfs/dbraw/zinc/82/67/63/461826763.db2.gz JYUCQJQFTOACDD-QGZVFWFLSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(O)c(=O)c1 ZINC000663828254 461826767 /nfs/dbraw/zinc/82/67/67/461826767.db2.gz JYUCQJQFTOACDD-QGZVFWFLSA-N 2 2 344.499 3.040 20 0 EGADLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c(=O)c1 ZINC000663831249 461827960 /nfs/dbraw/zinc/82/79/60/461827960.db2.gz RTQXLWIRHJGIKX-QGZVFWFLSA-N 2 2 344.499 3.184 20 0 EGADLP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c(=O)c1 ZINC000663831249 461827966 /nfs/dbraw/zinc/82/79/66/461827966.db2.gz RTQXLWIRHJGIKX-QGZVFWFLSA-N 2 2 344.499 3.184 20 0 EGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000660590935 461867874 /nfs/dbraw/zinc/86/78/74/461867874.db2.gz VFFNCQOEAAYCCP-OAHLLOKOSA-N 2 2 345.512 3.024 20 0 EGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000660590935 461867881 /nfs/dbraw/zinc/86/78/81/461867881.db2.gz VFFNCQOEAAYCCP-OAHLLOKOSA-N 2 2 345.512 3.024 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC(C)(C)[NH3+] ZINC000656784229 461894742 /nfs/dbraw/zinc/89/47/42/461894742.db2.gz BBBOYLKLJSWICX-UHFFFAOYSA-N 2 2 333.863 3.483 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)CC(C)(C)[NH3+] ZINC000656784229 461894749 /nfs/dbraw/zinc/89/47/49/461894749.db2.gz BBBOYLKLJSWICX-UHFFFAOYSA-N 2 2 333.863 3.483 20 0 EGADLP C[N@H+](Cc1cccc(Br)c1OC(F)F)CC(C)(C)[NH3+] ZINC000656786001 461896026 /nfs/dbraw/zinc/89/60/26/461896026.db2.gz SLLOXBHUOOMEDK-UHFFFAOYSA-N 2 2 337.208 3.220 20 0 EGADLP C[N@@H+](Cc1cccc(Br)c1OC(F)F)CC(C)(C)[NH3+] ZINC000656786001 461896032 /nfs/dbraw/zinc/89/60/32/461896032.db2.gz SLLOXBHUOOMEDK-UHFFFAOYSA-N 2 2 337.208 3.220 20 0 EGADLP COc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1OCc1ccccc1 ZINC000656785899 461896490 /nfs/dbraw/zinc/89/64/90/461896490.db2.gz SKCSFAPINIYNHP-UHFFFAOYSA-N 2 2 328.456 3.443 20 0 EGADLP COc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1OCc1ccccc1 ZINC000656785899 461896495 /nfs/dbraw/zinc/89/64/95/461896495.db2.gz SKCSFAPINIYNHP-UHFFFAOYSA-N 2 2 328.456 3.443 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647940331 461898636 /nfs/dbraw/zinc/89/86/36/461898636.db2.gz UGFPKKUTEBTVJM-RKVPGOIHSA-N 2 2 325.456 3.226 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000647940331 461898640 /nfs/dbraw/zinc/89/86/40/461898640.db2.gz UGFPKKUTEBTVJM-RKVPGOIHSA-N 2 2 325.456 3.226 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000666995130 461903249 /nfs/dbraw/zinc/90/32/49/461903249.db2.gz DQHVRSWCKMOHAD-MISYRCLQSA-N 3 2 327.516 3.304 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000666995130 461903260 /nfs/dbraw/zinc/90/32/60/461903260.db2.gz DQHVRSWCKMOHAD-MISYRCLQSA-N 3 2 327.516 3.304 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654815 461904122 /nfs/dbraw/zinc/90/41/22/461904122.db2.gz HKHWOQDTBCDEQX-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654815 461904130 /nfs/dbraw/zinc/90/41/30/461904130.db2.gz HKHWOQDTBCDEQX-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654815 461904140 /nfs/dbraw/zinc/90/41/40/461904140.db2.gz HKHWOQDTBCDEQX-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000660654815 461904148 /nfs/dbraw/zinc/90/41/48/461904148.db2.gz HKHWOQDTBCDEQX-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cc(O)ccc2Br)[C@@H]1CC[NH3+] ZINC000650711021 461905278 /nfs/dbraw/zinc/90/52/78/461905278.db2.gz GLODCMNLWYCQDK-XHDPSFHLSA-N 2 2 327.266 3.104 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)[C@@H]1CC[NH3+] ZINC000650711021 461905286 /nfs/dbraw/zinc/90/52/86/461905286.db2.gz GLODCMNLWYCQDK-XHDPSFHLSA-N 2 2 327.266 3.104 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655257 461906123 /nfs/dbraw/zinc/90/61/23/461906123.db2.gz LLKGPVKDCLJEPV-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660655257 461906130 /nfs/dbraw/zinc/90/61/30/461906130.db2.gz LLKGPVKDCLJEPV-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660655257 461906134 /nfs/dbraw/zinc/90/61/34/461906134.db2.gz LLKGPVKDCLJEPV-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660655257 461906152 /nfs/dbraw/zinc/90/61/52/461906152.db2.gz LLKGPVKDCLJEPV-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)C1 ZINC000650717855 461909161 /nfs/dbraw/zinc/90/91/61/461909161.db2.gz OOZYLVYCHUVKNZ-KXBFYZLASA-N 3 2 333.495 3.417 20 0 EGADLP C[C@@H](Cc1ccsc1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000667057095 461931187 /nfs/dbraw/zinc/93/11/87/461931187.db2.gz VBTGWXINDUSBEV-KRWDZBQOSA-N 3 2 343.540 3.262 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000648000994 461931710 /nfs/dbraw/zinc/93/17/10/461931710.db2.gz QFNGAMXMAPIPBK-UHFFFAOYSA-N 2 2 342.487 3.439 20 0 EGADLP FC(F)(F)c1ccccc1-c1nc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)co1 ZINC000639457296 461934381 /nfs/dbraw/zinc/93/43/81/461934381.db2.gz SKKKXHYCLNQNHG-RYUDHWBXSA-N 2 2 337.345 3.012 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650763695 461941433 /nfs/dbraw/zinc/94/14/33/461941433.db2.gz HEQMPZBTIZKJDV-UHFFFAOYSA-N 3 2 335.923 3.284 20 0 EGADLP C[C@H]1C[C@H](C)C[NH+](CC[NH2+]C2(Cc3ccccc3)CCOCC2)C1 ZINC000660753207 461954064 /nfs/dbraw/zinc/95/40/64/461954064.db2.gz UUNXOEXVAYGROU-OALUTQOASA-N 2 2 330.516 3.346 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000644551006 461982287 /nfs/dbraw/zinc/98/22/87/461982287.db2.gz ZZTSYFBIUXHQFK-BRWVUGGUSA-N 2 2 342.405 3.087 20 0 EGADLP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000644551006 461982295 /nfs/dbraw/zinc/98/22/95/461982295.db2.gz ZZTSYFBIUXHQFK-BRWVUGGUSA-N 2 2 342.405 3.087 20 0 EGADLP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182719 461982807 /nfs/dbraw/zinc/98/28/07/461982807.db2.gz LVPCKZVBABFSJX-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182719 461982810 /nfs/dbraw/zinc/98/28/10/461982810.db2.gz LVPCKZVBABFSJX-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182719 461982815 /nfs/dbraw/zinc/98/28/15/461982815.db2.gz LVPCKZVBABFSJX-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182719 461982821 /nfs/dbraw/zinc/98/28/21/461982821.db2.gz LVPCKZVBABFSJX-VQTJNVASSA-N 3 2 329.532 3.361 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000657302520 462029470 /nfs/dbraw/zinc/02/94/70/462029470.db2.gz TYKVSZOXLFOIRO-MRXNPFEDSA-N 2 2 339.439 3.080 20 0 EGADLP Clc1cccc([C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)N2CCCC2)c1 ZINC000657309109 462032211 /nfs/dbraw/zinc/03/22/11/462032211.db2.gz JEJTULTWEZQNSQ-GOSISDBHSA-N 2 2 344.890 3.409 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657313795 462037791 /nfs/dbraw/zinc/03/77/91/462037791.db2.gz SUYNXTRJKJKWFU-GFCCVEGCSA-N 2 2 334.261 3.313 20 0 EGADLP C[N@H+](CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1 ZINC000657324382 462046917 /nfs/dbraw/zinc/04/69/17/462046917.db2.gz AGEYXIWRZDTKPC-NRFANRHFSA-N 2 2 340.467 3.076 20 0 EGADLP C[N@@H+](CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)Cc1ccccc1 ZINC000657324382 462046923 /nfs/dbraw/zinc/04/69/23/462046923.db2.gz AGEYXIWRZDTKPC-NRFANRHFSA-N 2 2 340.467 3.076 20 0 EGADLP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639724600 462076693 /nfs/dbraw/zinc/07/66/93/462076693.db2.gz ATCMEACTDXEASV-UHFFFAOYSA-N 3 2 338.499 3.298 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NCc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000657405113 462100629 /nfs/dbraw/zinc/10/06/29/462100629.db2.gz BCYRPDXDBSEDTF-IYBDPMFKSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2NCc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000657405113 462100634 /nfs/dbraw/zinc/10/06/34/462100634.db2.gz BCYRPDXDBSEDTF-IYBDPMFKSA-N 2 2 340.471 3.051 20 0 EGADLP CCOc1cc(C[N@H+](C)Cc2c[nH+]c(C)n2C)ccc1OC(F)F ZINC000667498301 462114321 /nfs/dbraw/zinc/11/43/21/462114321.db2.gz CKKHJEIDWGOKNJ-UHFFFAOYSA-N 2 2 339.386 3.361 20 0 EGADLP CCOc1cc(C[N@@H+](C)Cc2c[nH+]c(C)n2C)ccc1OC(F)F ZINC000667498301 462114325 /nfs/dbraw/zinc/11/43/25/462114325.db2.gz CKKHJEIDWGOKNJ-UHFFFAOYSA-N 2 2 339.386 3.361 20 0 EGADLP COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000644901348 462125079 /nfs/dbraw/zinc/12/50/79/462125079.db2.gz BKLDRCPEINKQHG-QGZVFWFLSA-N 2 2 328.460 3.222 20 0 EGADLP COc1ccccc1[C@H]1CCCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000644901348 462125085 /nfs/dbraw/zinc/12/50/85/462125085.db2.gz BKLDRCPEINKQHG-QGZVFWFLSA-N 2 2 328.460 3.222 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1NCC1CC[NH+](CC2CC2)CC1 ZINC000664647627 462137175 /nfs/dbraw/zinc/13/71/75/462137175.db2.gz SLSMKIVZCCSIMU-UHFFFAOYSA-N 2 2 330.476 3.205 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560755 462144650 /nfs/dbraw/zinc/14/46/50/462144650.db2.gz BSPDZLJPPXQKHR-MJGOQNOKSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccnn2CC2CC2)C1 ZINC000667560755 462144654 /nfs/dbraw/zinc/14/46/54/462144654.db2.gz BSPDZLJPPXQKHR-MJGOQNOKSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560755 462144659 /nfs/dbraw/zinc/14/46/59/462144659.db2.gz BSPDZLJPPXQKHR-MJGOQNOKSA-N 2 2 330.520 3.380 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000667560755 462144664 /nfs/dbraw/zinc/14/46/64/462144664.db2.gz BSPDZLJPPXQKHR-MJGOQNOKSA-N 2 2 330.520 3.380 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657480710 462149673 /nfs/dbraw/zinc/14/96/73/462149673.db2.gz UIRVIAIEQFNBKH-FPOVZHCZSA-N 2 2 346.515 3.454 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000654314535 462158340 /nfs/dbraw/zinc/15/83/40/462158340.db2.gz NTZUBPUFYYPECK-KURKYZTESA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000654314535 462158342 /nfs/dbraw/zinc/15/83/42/462158342.db2.gz NTZUBPUFYYPECK-KURKYZTESA-N 2 2 349.906 3.076 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000651294139 462168608 /nfs/dbraw/zinc/16/86/08/462168608.db2.gz FEHJGZFZMRLCAI-KRWDZBQOSA-N 2 2 325.460 3.110 20 0 EGADLP Cc1[nH+]cc(C[N@H+](CCc2ccc(C)cc2)C[C@H]2CCCO2)n1C ZINC000667670363 462203366 /nfs/dbraw/zinc/20/33/66/462203366.db2.gz LPVSXFDOPNTOAA-HXUWFJFHSA-N 2 2 327.472 3.261 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](CCc2ccc(C)cc2)C[C@H]2CCCO2)n1C ZINC000667670363 462203374 /nfs/dbraw/zinc/20/33/74/462203374.db2.gz LPVSXFDOPNTOAA-HXUWFJFHSA-N 2 2 327.472 3.261 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2c1C ZINC000645195556 462227802 /nfs/dbraw/zinc/22/78/02/462227802.db2.gz RKIACDDXUFUDSZ-GOEBONIOSA-N 2 2 325.460 3.028 20 0 EGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2c1C ZINC000645195556 462227806 /nfs/dbraw/zinc/22/78/06/462227806.db2.gz RKIACDDXUFUDSZ-GOEBONIOSA-N 2 2 325.460 3.028 20 0 EGADLP Fc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000657750132 462249975 /nfs/dbraw/zinc/24/99/75/462249975.db2.gz AVJJATFZUDJRAM-MRXNPFEDSA-N 2 2 346.368 3.187 20 0 EGADLP Clc1cccc2c1C[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000657750749 462251478 /nfs/dbraw/zinc/25/14/78/462251478.db2.gz CGEONRJPSWVOLW-DLBZAZTESA-N 2 2 334.891 3.040 20 0 EGADLP Clc1ccc2cccnc2c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657753520 462253574 /nfs/dbraw/zinc/25/35/74/462253574.db2.gz XFOAOXMNPORSAF-INIZCTEOSA-N 2 2 345.874 3.231 20 0 EGADLP COc1cc2ccc([C@@H](C)[NH2+]CCn3cc[nH+]c3)cc2cc1OC ZINC000657822362 462284249 /nfs/dbraw/zinc/28/42/49/462284249.db2.gz ZBSRRPHLTJITPX-CQSZACIVSA-N 2 2 325.412 3.404 20 0 EGADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1)c1ccccc1 ZINC000657876052 462304710 /nfs/dbraw/zinc/30/47/10/462304710.db2.gz TZYVQARWHGPLPB-SQGPQFPESA-N 2 2 342.483 3.400 20 0 EGADLP COc1cc(OC)c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1F ZINC000651846328 462354810 /nfs/dbraw/zinc/35/48/10/462354810.db2.gz NWZVPRDIAABBST-UHFFFAOYSA-N 2 2 343.402 3.131 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248031 462366994 /nfs/dbraw/zinc/36/69/94/462366994.db2.gz NTMCGROYDKCQGU-HSALFYBXSA-N 3 2 327.516 3.148 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000665248031 462366998 /nfs/dbraw/zinc/36/69/98/462366998.db2.gz NTMCGROYDKCQGU-HSALFYBXSA-N 3 2 327.516 3.148 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000665257021 462372976 /nfs/dbraw/zinc/37/29/76/462372976.db2.gz WJFUALSXCNEZQU-MORSLUCNSA-N 2 2 342.414 3.351 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658094665 462381281 /nfs/dbraw/zinc/38/12/81/462381281.db2.gz ZWKLZKYNGHNFSP-INIZCTEOSA-N 2 2 337.458 3.396 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000658094665 462381288 /nfs/dbraw/zinc/38/12/88/462381288.db2.gz ZWKLZKYNGHNFSP-INIZCTEOSA-N 2 2 337.458 3.396 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](C4CCC4)C3)c2cc1C ZINC000665286641 462385532 /nfs/dbraw/zinc/38/55/32/462385532.db2.gz QTTGEIZEBPWBPM-ROUUACIJSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](C4CCC4)C3)c2cc1C ZINC000665286641 462385538 /nfs/dbraw/zinc/38/55/38/462385538.db2.gz QTTGEIZEBPWBPM-ROUUACIJSA-N 2 2 327.472 3.136 20 0 EGADLP CC(C)(C)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2ccccc2o1 ZINC000665291719 462389080 /nfs/dbraw/zinc/38/90/80/462389080.db2.gz JGLOHNGOXHVRFW-GOSISDBHSA-N 2 2 340.427 3.264 20 0 EGADLP COC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC)c1 ZINC000658163550 462413443 /nfs/dbraw/zinc/41/34/43/462413443.db2.gz KIIMETWMIZYXOC-LJQANCHMSA-N 2 2 341.455 3.036 20 0 EGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(Cc2ccccc2)no1 ZINC000640531248 462431081 /nfs/dbraw/zinc/43/10/81/462431081.db2.gz NJOLHZPGZRQHKG-UHFFFAOYSA-N 2 2 342.487 3.358 20 0 EGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(Cc2ccccc2)no1 ZINC000640531248 462431084 /nfs/dbraw/zinc/43/10/84/462431084.db2.gz NJOLHZPGZRQHKG-UHFFFAOYSA-N 2 2 342.487 3.358 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134289 462445157 /nfs/dbraw/zinc/44/51/57/462445157.db2.gz ORDVIGMXYBPRIE-JKSUJKDBSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134289 462445163 /nfs/dbraw/zinc/44/51/63/462445163.db2.gz ORDVIGMXYBPRIE-JKSUJKDBSA-N 2 2 336.476 3.237 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000652140586 462446871 /nfs/dbraw/zinc/44/68/71/462446871.db2.gz VQCREWMKIJWIBF-LQWHRVPQSA-N 2 2 337.467 3.396 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000652140586 462446876 /nfs/dbraw/zinc/44/68/76/462446876.db2.gz VQCREWMKIJWIBF-LQWHRVPQSA-N 2 2 337.467 3.396 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000652140589 462446891 /nfs/dbraw/zinc/44/68/91/462446891.db2.gz VQCREWMKIJWIBF-WFXMLNOXSA-N 2 2 337.467 3.396 20 0 EGADLP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccn2)cc1 ZINC000652140589 462446894 /nfs/dbraw/zinc/44/68/94/462446894.db2.gz VQCREWMKIJWIBF-WFXMLNOXSA-N 2 2 337.467 3.396 20 0 EGADLP COc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccccn2)cc1 ZINC000652142122 462448456 /nfs/dbraw/zinc/44/84/56/462448456.db2.gz IVWSYNKXFCVTMC-FQEVSTJZSA-N 2 2 336.439 3.446 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287042 462456057 /nfs/dbraw/zinc/45/60/57/462456057.db2.gz FSVPZCXWAVMKFR-GJZGRUSLSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000658287042 462456062 /nfs/dbraw/zinc/45/60/62/462456062.db2.gz FSVPZCXWAVMKFR-GJZGRUSLSA-N 2 2 337.895 3.439 20 0 EGADLP CSc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000658294810 462461383 /nfs/dbraw/zinc/46/13/83/462461383.db2.gz PLBFJVMFHRBIFT-XJKSGUPXSA-N 2 2 338.492 3.452 20 0 EGADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000649296986 462471552 /nfs/dbraw/zinc/47/15/52/462471552.db2.gz WWAKQXVJNACDIK-OAQYLSRUSA-N 2 2 349.482 3.468 20 0 EGADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000649296986 462471557 /nfs/dbraw/zinc/47/15/57/462471557.db2.gz WWAKQXVJNACDIK-OAQYLSRUSA-N 2 2 349.482 3.468 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000646048554 462503178 /nfs/dbraw/zinc/50/31/78/462503178.db2.gz XTTKXLIAJQZUSW-HXUWFJFHSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000646048554 462503180 /nfs/dbraw/zinc/50/31/80/462503180.db2.gz XTTKXLIAJQZUSW-HXUWFJFHSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCN(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000646048554 462503184 /nfs/dbraw/zinc/50/31/84/462503184.db2.gz XTTKXLIAJQZUSW-HXUWFJFHSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCN(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000646048554 462503185 /nfs/dbraw/zinc/50/31/85/462503185.db2.gz XTTKXLIAJQZUSW-HXUWFJFHSA-N 2 2 326.488 3.176 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662055358 462514469 /nfs/dbraw/zinc/51/44/69/462514469.db2.gz MIBQDNTZORNDAH-WFASDCNBSA-N 2 2 331.287 3.491 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662055358 462514471 /nfs/dbraw/zinc/51/44/71/462514471.db2.gz MIBQDNTZORNDAH-WFASDCNBSA-N 2 2 331.287 3.491 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2(CCCC2)O1 ZINC000646135150 462524890 /nfs/dbraw/zinc/52/48/90/462524890.db2.gz DXLOUTCCIHNEEF-SFHVURJKSA-N 2 2 344.499 3.052 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2(CCCC2)O1 ZINC000646135150 462524894 /nfs/dbraw/zinc/52/48/94/462524894.db2.gz DXLOUTCCIHNEEF-SFHVURJKSA-N 2 2 344.499 3.052 20 0 EGADLP COc1c(C)c[nH+]c(Cn2cc(C[N@H+](C)C3CCCCC3)nn2)c1C ZINC000640953988 462534884 /nfs/dbraw/zinc/53/48/84/462534884.db2.gz BHQQISRISUWLRG-UHFFFAOYSA-N 2 2 343.475 3.111 20 0 EGADLP COc1c(C)c[nH+]c(Cn2cc(C[N@@H+](C)C3CCCCC3)nn2)c1C ZINC000640953988 462534886 /nfs/dbraw/zinc/53/48/86/462534886.db2.gz BHQQISRISUWLRG-UHFFFAOYSA-N 2 2 343.475 3.111 20 0 EGADLP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)([NH+](C)C)C1 ZINC000129428728 533799169 /nfs/dbraw/zinc/79/91/69/533799169.db2.gz YFTUUYQWKIHGKQ-YLJYHZDGSA-N 3 2 330.520 3.151 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[NH+]1CCCCC1 ZINC000354581816 534910095 /nfs/dbraw/zinc/91/00/95/534910095.db2.gz UJXMFKZYSQZVFN-GOSISDBHSA-N 2 2 344.434 3.460 20 0 EGADLP Brc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000191449061 526641597 /nfs/dbraw/zinc/64/15/97/526641597.db2.gz POZBQHQOJAVGPQ-IUODEOHRSA-N 2 2 339.277 3.491 20 0 EGADLP Brc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000191449061 526641603 /nfs/dbraw/zinc/64/16/03/526641603.db2.gz POZBQHQOJAVGPQ-IUODEOHRSA-N 2 2 339.277 3.491 20 0 EGADLP Brc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000191449061 526641609 /nfs/dbraw/zinc/64/16/09/526641609.db2.gz POZBQHQOJAVGPQ-IUODEOHRSA-N 2 2 339.277 3.491 20 0 EGADLP Brc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000191449061 526641610 /nfs/dbraw/zinc/64/16/10/526641610.db2.gz POZBQHQOJAVGPQ-IUODEOHRSA-N 2 2 339.277 3.491 20 0 EGADLP CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178078677 528010326 /nfs/dbraw/zinc/01/03/26/528010326.db2.gz YAKBKMOOXLLNRP-INIZCTEOSA-N 2 2 328.460 3.172 20 0 EGADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000186828713 528421423 /nfs/dbraw/zinc/42/14/23/528421423.db2.gz QPPGQNCONNKELC-UXHICEINSA-N 2 2 331.504 3.229 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000361571525 535028324 /nfs/dbraw/zinc/02/83/24/535028324.db2.gz MAHCFIHKYDNKJZ-LJQANCHMSA-N 2 2 330.520 3.090 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000361571525 535028331 /nfs/dbraw/zinc/02/83/31/535028331.db2.gz MAHCFIHKYDNKJZ-LJQANCHMSA-N 2 2 330.520 3.090 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000361571525 535028335 /nfs/dbraw/zinc/02/83/35/535028335.db2.gz MAHCFIHKYDNKJZ-LJQANCHMSA-N 2 2 330.520 3.090 20 0 EGADLP CC(C)N(C)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000361571525 535028339 /nfs/dbraw/zinc/02/83/39/535028339.db2.gz MAHCFIHKYDNKJZ-LJQANCHMSA-N 2 2 330.520 3.090 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)NC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000351880746 535521548 /nfs/dbraw/zinc/52/15/48/535521548.db2.gz SQAOGZVGCWVNPG-INIZCTEOSA-N 2 2 344.503 3.362 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246875733 535691961 /nfs/dbraw/zinc/69/19/61/535691961.db2.gz SVJKYHUASWYCCH-YJBOKZPZSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000246875733 535691968 /nfs/dbraw/zinc/69/19/68/535691968.db2.gz SVJKYHUASWYCCH-YJBOKZPZSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246875733 535691972 /nfs/dbraw/zinc/69/19/72/535691972.db2.gz SVJKYHUASWYCCH-YJBOKZPZSA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246875733 535691977 /nfs/dbraw/zinc/69/19/77/535691977.db2.gz SVJKYHUASWYCCH-YJBOKZPZSA-N 2 2 348.560 3.438 20 0 EGADLP C[C@H]1C[C@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230912 546598852 /nfs/dbraw/zinc/59/88/52/546598852.db2.gz MBRNWIPSHVHWPN-FUHWJXTLSA-N 2 2 348.454 3.127 20 0 EGADLP C[C@H]1C[C@H](Nc2cc(-n3cc[nH+]c3)ncn2)CC[N@H+]1Cc1ccccc1 ZINC000080230912 546598857 /nfs/dbraw/zinc/59/88/57/546598857.db2.gz MBRNWIPSHVHWPN-FUHWJXTLSA-N 2 2 348.454 3.127 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000090187387 546653681 /nfs/dbraw/zinc/65/36/81/546653681.db2.gz HSOFJPSMULWJGD-IBGZPJMESA-N 2 2 346.515 3.215 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCCOC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000090187387 546653684 /nfs/dbraw/zinc/65/36/84/546653684.db2.gz HSOFJPSMULWJGD-IBGZPJMESA-N 2 2 346.515 3.215 20 0 EGADLP CC(C)CCc1nc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000151156509 546851672 /nfs/dbraw/zinc/85/16/72/546851672.db2.gz AFSNLKFSFKYKDV-UHFFFAOYSA-N 2 2 330.501 3.449 20 0 EGADLP Fc1cccc(-c2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)co2)c1 ZINC000151292999 546852442 /nfs/dbraw/zinc/85/24/42/546852442.db2.gz QFPZMDPERNJSEJ-UHFFFAOYSA-N 2 2 338.386 3.198 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151860234 546861117 /nfs/dbraw/zinc/86/11/17/546861117.db2.gz WZQYSDWLWUSZGR-IRXDYDNUSA-N 2 2 331.504 3.430 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000162247532 546963826 /nfs/dbraw/zinc/96/38/26/546963826.db2.gz WMUUJCDBYSALDQ-JBEBIEQOSA-N 2 2 341.480 3.433 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000163723138 546974656 /nfs/dbraw/zinc/97/46/56/546974656.db2.gz KUJOBCPNYVSJOU-LJQANCHMSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000189105434 547156572 /nfs/dbraw/zinc/15/65/72/547156572.db2.gz DFMBQSBUEHAZPP-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000189105434 547156574 /nfs/dbraw/zinc/15/65/74/547156574.db2.gz DFMBQSBUEHAZPP-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000189105434 547156575 /nfs/dbraw/zinc/15/65/75/547156575.db2.gz DFMBQSBUEHAZPP-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000189105434 547156578 /nfs/dbraw/zinc/15/65/78/547156578.db2.gz DFMBQSBUEHAZPP-INIZCTEOSA-N 2 2 340.471 3.033 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840608 547189419 /nfs/dbraw/zinc/18/94/19/547189419.db2.gz LQYWCIFWCNSNRM-NQIIRXRSSA-N 2 2 342.483 3.481 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840608 547189425 /nfs/dbraw/zinc/18/94/25/547189425.db2.gz LQYWCIFWCNSNRM-NQIIRXRSSA-N 2 2 342.483 3.481 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000286216990 547392432 /nfs/dbraw/zinc/39/24/32/547392432.db2.gz FJXVIFXYEPRDPQ-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000286216990 547392434 /nfs/dbraw/zinc/39/24/34/547392434.db2.gz FJXVIFXYEPRDPQ-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@H+](C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286216990 547392440 /nfs/dbraw/zinc/39/24/40/547392440.db2.gz FJXVIFXYEPRDPQ-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP CCC[N@@H+](C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000286216990 547392443 /nfs/dbraw/zinc/39/24/43/547392443.db2.gz FJXVIFXYEPRDPQ-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccnn2C)c1 ZINC000374925566 547814559 /nfs/dbraw/zinc/81/45/59/547814559.db2.gz IAVWSFQHRHEHEP-UHFFFAOYSA-N 2 2 335.455 3.429 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000399140344 547836821 /nfs/dbraw/zinc/83/68/21/547836821.db2.gz UEDCBOBOQKMSPA-RHSMWYFYSA-N 2 2 331.485 3.152 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)sn1 ZINC000399140344 547836822 /nfs/dbraw/zinc/83/68/22/547836822.db2.gz UEDCBOBOQKMSPA-RHSMWYFYSA-N 2 2 331.485 3.152 20 0 EGADLP COc1ccc(OCc2nc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000414924035 547861032 /nfs/dbraw/zinc/86/10/32/547861032.db2.gz JIEUCTYBMJXWLL-UONOGXRCSA-N 2 2 347.484 3.090 20 0 EGADLP C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987666 548244489 /nfs/dbraw/zinc/24/44/89/548244489.db2.gz ZSUVKZDHFMNLAM-CVEARBPZSA-N 2 2 329.444 3.076 20 0 EGADLP C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987666 548244492 /nfs/dbraw/zinc/24/44/92/548244492.db2.gz ZSUVKZDHFMNLAM-CVEARBPZSA-N 2 2 329.444 3.076 20 0 EGADLP CC1(C)C[C@H](NCc2c[nH+]c3n2CCCC3)C[N@@H+]1Cc1ccccc1 ZINC000671195040 548260063 /nfs/dbraw/zinc/26/00/63/548260063.db2.gz KLKVGCUIOHLMOM-SFHVURJKSA-N 2 2 338.499 3.362 20 0 EGADLP CC1(C)C[C@H](NCc2c[nH+]c3n2CCCC3)C[N@H+]1Cc1ccccc1 ZINC000671195040 548260067 /nfs/dbraw/zinc/26/00/67/548260067.db2.gz KLKVGCUIOHLMOM-SFHVURJKSA-N 2 2 338.499 3.362 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000672554875 548447026 /nfs/dbraw/zinc/44/70/26/548447026.db2.gz SQNFNZKVGHDQBD-MRXNPFEDSA-N 2 2 336.395 3.093 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000672554875 548447030 /nfs/dbraw/zinc/44/70/30/548447030.db2.gz SQNFNZKVGHDQBD-MRXNPFEDSA-N 2 2 336.395 3.093 20 0 EGADLP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000675883385 548996739 /nfs/dbraw/zinc/99/67/39/548996739.db2.gz ZOJXRDDMGFLAFO-NRFANRHFSA-N 3 2 349.563 3.017 20 0 EGADLP FC(F)(F)c1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000677374780 549260615 /nfs/dbraw/zinc/26/06/15/549260615.db2.gz DFVANEHIGNDYJT-BETUJISGSA-N 2 2 337.345 3.012 20 0 EGADLP FC(F)(F)c1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000677374780 549260618 /nfs/dbraw/zinc/26/06/18/549260618.db2.gz DFVANEHIGNDYJT-BETUJISGSA-N 2 2 337.345 3.012 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000678080642 549393266 /nfs/dbraw/zinc/39/32/66/549393266.db2.gz LASQGEMWMGGUTG-NVXWUHKLSA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000678080642 549393272 /nfs/dbraw/zinc/39/32/72/549393272.db2.gz LASQGEMWMGGUTG-NVXWUHKLSA-N 2 2 337.427 3.325 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000678234231 549436091 /nfs/dbraw/zinc/43/60/91/549436091.db2.gz ARGHJMXCSSNBJR-YOEHRIQHSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)O[C@@H](C)C2 ZINC000678234231 549436094 /nfs/dbraw/zinc/43/60/94/549436094.db2.gz ARGHJMXCSSNBJR-YOEHRIQHSA-N 2 2 327.428 3.052 20 0 EGADLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)n1 ZINC000679078728 549630540 /nfs/dbraw/zinc/63/05/40/549630540.db2.gz DEZHKNUDNBVHJG-SJLPKXTDSA-N 2 2 339.487 3.407 20 0 EGADLP CC[C@H](C)CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000680188371 549829755 /nfs/dbraw/zinc/82/97/55/549829755.db2.gz ARIMSLNPXYYCQK-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP CC[C@H](C)CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000680188371 549829756 /nfs/dbraw/zinc/82/97/56/549829756.db2.gz ARIMSLNPXYYCQK-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000681698755 550027917 /nfs/dbraw/zinc/02/79/17/550027917.db2.gz HYVALHYJNJWIJG-AWEZNQCLSA-N 2 2 340.452 3.120 20 0 EGADLP COc1cc(C)c([C@H](C)[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1C ZINC000682075464 550069488 /nfs/dbraw/zinc/06/94/88/550069488.db2.gz HJWZIVSPZXVUBY-INIZCTEOSA-N 2 2 340.471 3.294 20 0 EGADLP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)on2)cc1 ZINC000683227929 550205880 /nfs/dbraw/zinc/20/58/80/550205880.db2.gz FMJWUQLHEUIZAT-MRXNPFEDSA-N 2 2 329.444 3.266 20 0 EGADLP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)on2)cc1 ZINC000683227929 550205882 /nfs/dbraw/zinc/20/58/82/550205882.db2.gz FMJWUQLHEUIZAT-MRXNPFEDSA-N 2 2 329.444 3.266 20 0 EGADLP Oc1cccc2c(N3CC[NH+](Cc4cccs4)CC3)cc[nH+]c12 ZINC000684566872 550343631 /nfs/dbraw/zinc/34/36/31/550343631.db2.gz ZHDFVUGEWXHOBH-UHFFFAOYSA-N 2 2 325.437 3.324 20 0 EGADLP C[C@@H]1C[C@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000684677759 550354741 /nfs/dbraw/zinc/35/47/41/550354741.db2.gz HBQJAIAJFBNFJO-RHSMWYFYSA-N 2 2 337.895 3.067 20 0 EGADLP C[C@@H]1C[C@H](Nc2ccc(Cl)c(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000684677759 550354742 /nfs/dbraw/zinc/35/47/42/550354742.db2.gz HBQJAIAJFBNFJO-RHSMWYFYSA-N 2 2 337.895 3.067 20 0 EGADLP C[NH+](C)CCC[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000685452295 550417811 /nfs/dbraw/zinc/41/78/11/550417811.db2.gz KTZHYYGAYZGBTQ-UHFFFAOYSA-N 2 2 339.277 3.108 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000685452295 550417812 /nfs/dbraw/zinc/41/78/12/550417812.db2.gz KTZHYYGAYZGBTQ-UHFFFAOYSA-N 2 2 339.277 3.108 20 0 EGADLP Cc1nnsc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309897407 574523054 /nfs/dbraw/zinc/52/30/54/574523054.db2.gz GZWCIHSPXKGSNY-QGZVFWFLSA-N 2 2 330.501 3.238 20 0 EGADLP Cc1nnsc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309897407 574523055 /nfs/dbraw/zinc/52/30/55/574523055.db2.gz GZWCIHSPXKGSNY-QGZVFWFLSA-N 2 2 330.501 3.238 20 0 EGADLP CC(C)CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000747907052 574582844 /nfs/dbraw/zinc/58/28/44/574582844.db2.gz GCMXJFOPPQNLBQ-LJQANCHMSA-N 2 2 337.552 3.220 20 0 EGADLP CC(C)CCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000747907052 574582847 /nfs/dbraw/zinc/58/28/47/574582847.db2.gz GCMXJFOPPQNLBQ-LJQANCHMSA-N 2 2 337.552 3.220 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCc4c(C)cccc4C3)c2cc1C ZINC000729480337 574865289 /nfs/dbraw/zinc/86/52/89/574865289.db2.gz VEFXXFUSGGDMAR-IBGZPJMESA-N 2 2 349.478 3.381 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCc4c(C)cccc4C3)c2cc1C ZINC000729480337 574865290 /nfs/dbraw/zinc/86/52/90/574865290.db2.gz VEFXXFUSGGDMAR-IBGZPJMESA-N 2 2 349.478 3.381 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920238 574895720 /nfs/dbraw/zinc/89/57/20/574895720.db2.gz LJOHFZYUPFVXTA-HZPDHXFCSA-N 2 2 339.361 3.272 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920238 574895722 /nfs/dbraw/zinc/89/57/22/574895722.db2.gz LJOHFZYUPFVXTA-HZPDHXFCSA-N 2 2 339.361 3.272 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2occc2Br)C1 ZINC000735321252 575642949 /nfs/dbraw/zinc/64/29/49/575642949.db2.gz ZVQDDJUSILWNAV-CHWSQXEVSA-N 2 2 329.282 3.500 20 0 EGADLP c1cc(-c2nc3ccccc3s2)oc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343687 576167762 /nfs/dbraw/zinc/16/77/62/576167762.db2.gz XBXCLMZMZVQOML-STQMWFEESA-N 2 2 325.437 3.208 20 0 EGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686399 576169524 /nfs/dbraw/zinc/16/95/24/576169524.db2.gz QITNGJYCWSOTIL-MAUKXSAKSA-N 2 2 329.444 3.304 20 0 EGADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686399 576169526 /nfs/dbraw/zinc/16/95/26/576169526.db2.gz QITNGJYCWSOTIL-MAUKXSAKSA-N 2 2 329.444 3.304 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686400 576169567 /nfs/dbraw/zinc/16/95/67/576169567.db2.gz QITNGJYCWSOTIL-QAPCUYQASA-N 2 2 329.444 3.304 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000678686400 576169569 /nfs/dbraw/zinc/16/95/69/576169569.db2.gz QITNGJYCWSOTIL-QAPCUYQASA-N 2 2 329.444 3.304 20 0 EGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(Cl)c1 ZINC000743261886 576804597 /nfs/dbraw/zinc/80/45/97/576804597.db2.gz KAVWHLRPSFVFCS-LJQANCHMSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC000743479156 576810070 /nfs/dbraw/zinc/81/00/70/576810070.db2.gz BOWPMOCXCOGYLY-HNNXBMFYSA-N 2 2 347.503 3.041 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000379454973 1297533100 /nfs/dbraw/zinc/53/31/00/1297533100.db2.gz NJCVBONFRWJSAR-IXDOHACOSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733565 1298151000 /nfs/dbraw/zinc/15/10/00/1298151000.db2.gz AKYSXEMJIJOQDU-QNDFHXLGSA-N 3 2 341.543 3.406 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733565 1298151003 /nfs/dbraw/zinc/15/10/03/1298151003.db2.gz AKYSXEMJIJOQDU-QNDFHXLGSA-N 3 2 341.543 3.406 20 0 EGADLP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)n1cc[nH+]c1 ZINC000045857456 1291518744 /nfs/dbraw/zinc/51/87/44/1291518744.db2.gz XRJYKBDJZUWCJV-YOEHRIQHSA-N 2 2 346.862 3.051 20 0 EGADLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000076762899 1292441353 /nfs/dbraw/zinc/44/13/53/1292441353.db2.gz PKMYUUROVVALNG-CQSZACIVSA-N 2 2 337.533 3.031 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000829140442 1292547359 /nfs/dbraw/zinc/54/73/59/1292547359.db2.gz QIQXZWMQSIKFEQ-KBMXLJTQSA-N 2 2 342.314 3.466 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000829140442 1292547362 /nfs/dbraw/zinc/54/73/62/1292547362.db2.gz QIQXZWMQSIKFEQ-KBMXLJTQSA-N 2 2 342.314 3.466 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089154542 1292759034 /nfs/dbraw/zinc/75/90/34/1292759034.db2.gz NQBINZPQSSSGJX-SFHVURJKSA-N 2 2 337.552 3.268 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089154542 1292759043 /nfs/dbraw/zinc/75/90/43/1292759043.db2.gz NQBINZPQSSSGJX-SFHVURJKSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)c1noc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000089577584 1292772553 /nfs/dbraw/zinc/77/25/53/1292772553.db2.gz YOTJNPYVVKJNJP-AWEZNQCLSA-N 2 2 325.416 3.272 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](CO)c3ccccc3)CC2)cc1 ZINC000123620670 1293449382 /nfs/dbraw/zinc/44/93/82/1293449382.db2.gz IUTCCODTZYTNMZ-NRFANRHFSA-N 2 2 339.483 3.045 20 0 EGADLP Cc1ccsc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000126754925 1293543487 /nfs/dbraw/zinc/54/34/87/1293543487.db2.gz PNGQSZPOODWQIO-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP Cc1ccc(-c2cnn(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000133000183 1293734632 /nfs/dbraw/zinc/73/46/32/1293734632.db2.gz RXZFRUSPJLLHMZ-UHFFFAOYSA-N 2 2 333.439 3.033 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cncc(Br)c1 ZINC000157876387 1294189898 /nfs/dbraw/zinc/18/98/98/1294189898.db2.gz OPHBUKUGEMURLQ-AWEZNQCLSA-N 2 2 337.265 3.245 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000182694310 1295067951 /nfs/dbraw/zinc/06/79/51/1295067951.db2.gz GSWOENKCMYNMEK-DLBZAZTESA-N 2 2 341.540 3.342 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404086 1295262081 /nfs/dbraw/zinc/26/20/81/1295262081.db2.gz IKKQUVPFQCAYMD-WDEREUQCSA-N 2 2 345.256 3.286 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000185404086 1295262085 /nfs/dbraw/zinc/26/20/85/1295262085.db2.gz IKKQUVPFQCAYMD-WDEREUQCSA-N 2 2 345.256 3.286 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760836 1295283400 /nfs/dbraw/zinc/28/34/00/1295283400.db2.gz XEJNKCHCAINZGL-ZIAGYGMSSA-N 2 2 335.423 3.477 20 0 EGADLP C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760836 1295283407 /nfs/dbraw/zinc/28/34/07/1295283407.db2.gz XEJNKCHCAINZGL-ZIAGYGMSSA-N 2 2 335.423 3.477 20 0 EGADLP Cc1cc(Br)cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1O ZINC000186908942 1295356488 /nfs/dbraw/zinc/35/64/88/1295356488.db2.gz ZUZLOBRNGNHEOC-LBPRGKRZSA-N 2 2 338.249 3.401 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262196437 1296622021 /nfs/dbraw/zinc/62/20/21/1296622021.db2.gz ZKTJQQHQMLTZKC-NRFANRHFSA-N 2 2 344.499 3.208 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(O)c1F ZINC000872058566 1296705302 /nfs/dbraw/zinc/70/53/02/1296705302.db2.gz VRTCLNZUGFUAAE-ZFWWWQNUSA-N 2 2 344.434 3.240 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592292 1297018352 /nfs/dbraw/zinc/01/83/52/1297018352.db2.gz XLFOMDKAHWJLRX-LPHOPBHVSA-N 2 2 328.435 3.063 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592292 1297018369 /nfs/dbraw/zinc/01/83/69/1297018369.db2.gz XLFOMDKAHWJLRX-LPHOPBHVSA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592292 1297018385 /nfs/dbraw/zinc/01/83/85/1297018385.db2.gz XLFOMDKAHWJLRX-LPHOPBHVSA-N 2 2 328.435 3.063 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3ccc(-c4cccc(F)c4)n3)CC[C@@H]21 ZINC000872592292 1297018403 /nfs/dbraw/zinc/01/84/03/1297018403.db2.gz XLFOMDKAHWJLRX-LPHOPBHVSA-N 2 2 328.435 3.063 20 0 EGADLP Cc1nc(NCC[N@@H+](C)Cc2ccccc2)c(Br)c(C)[nH+]1 ZINC000322920030 1297192992 /nfs/dbraw/zinc/19/29/92/1297192992.db2.gz WAOYZIIGSQXKDJ-UHFFFAOYSA-N 2 2 349.276 3.400 20 0 EGADLP Cc1nc(NCC[N@H+](C)Cc2ccccc2)c(Br)c(C)[nH+]1 ZINC000322920030 1297192998 /nfs/dbraw/zinc/19/29/98/1297192998.db2.gz WAOYZIIGSQXKDJ-UHFFFAOYSA-N 2 2 349.276 3.400 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000693875592 1298152674 /nfs/dbraw/zinc/15/26/74/1298152674.db2.gz DBRDZEDTVHRTMT-UYSNPLJNSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000693875592 1298152680 /nfs/dbraw/zinc/15/26/80/1298152680.db2.gz DBRDZEDTVHRTMT-UYSNPLJNSA-N 2 2 339.524 3.285 20 0 EGADLP Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(-c2cc(F)ccc2F)n1 ZINC000877527746 1299369649 /nfs/dbraw/zinc/36/96/49/1299369649.db2.gz OLMNPJXZRTVSNB-UHFFFAOYSA-N 2 2 345.397 3.084 20 0 EGADLP Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(-c2cc(F)ccc2F)n1 ZINC000877527746 1299369655 /nfs/dbraw/zinc/36/96/55/1299369655.db2.gz OLMNPJXZRTVSNB-UHFFFAOYSA-N 2 2 345.397 3.084 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877570020 1299406415 /nfs/dbraw/zinc/40/64/15/1299406415.db2.gz DMAKTRFLHIWJHP-YLFCFFPRSA-N 2 2 339.524 3.094 20 0 EGADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742619 1299517971 /nfs/dbraw/zinc/51/79/71/1299517971.db2.gz FQYGMBQIZKSZAE-ICSRJNTNSA-N 2 2 325.431 3.414 20 0 EGADLP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742619 1299517981 /nfs/dbraw/zinc/51/79/81/1299517981.db2.gz FQYGMBQIZKSZAE-ICSRJNTNSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742619 1299517990 /nfs/dbraw/zinc/51/79/90/1299517990.db2.gz FQYGMBQIZKSZAE-ICSRJNTNSA-N 2 2 325.431 3.414 20 0 EGADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC[C@@H]21 ZINC000877742619 1299518000 /nfs/dbraw/zinc/51/80/00/1299518000.db2.gz FQYGMBQIZKSZAE-ICSRJNTNSA-N 2 2 325.431 3.414 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878126187 1299764492 /nfs/dbraw/zinc/76/44/92/1299764492.db2.gz UKUOWFIBVVSTET-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000878126187 1299764497 /nfs/dbraw/zinc/76/44/97/1299764497.db2.gz UKUOWFIBVVSTET-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878126187 1299764503 /nfs/dbraw/zinc/76/45/03/1299764503.db2.gz UKUOWFIBVVSTET-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878126187 1299764515 /nfs/dbraw/zinc/76/45/15/1299764515.db2.gz UKUOWFIBVVSTET-IEBWSBKVSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167715 1299792641 /nfs/dbraw/zinc/79/26/41/1299792641.db2.gz YRTZXLNZBDTFIJ-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167715 1299792648 /nfs/dbraw/zinc/79/26/48/1299792648.db2.gz YRTZXLNZBDTFIJ-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167715 1299792654 /nfs/dbraw/zinc/79/26/54/1299792654.db2.gz YRTZXLNZBDTFIJ-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000878167715 1299792661 /nfs/dbraw/zinc/79/26/61/1299792661.db2.gz YRTZXLNZBDTFIJ-HKUYNNGSSA-N 2 2 331.504 3.010 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)co1 ZINC000878173143 1299795757 /nfs/dbraw/zinc/79/57/57/1299795757.db2.gz SVABJCXSBGEWMA-UHFFFAOYSA-N 2 2 338.411 3.384 20 0 EGADLP Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c[nH+]1 ZINC000879076198 1300355674 /nfs/dbraw/zinc/35/56/74/1300355674.db2.gz XNALURWTZVBGHF-QGZVFWFLSA-N 2 2 338.455 3.031 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@@H+]1C ZINC000756127075 1300443348 /nfs/dbraw/zinc/44/33/48/1300443348.db2.gz HETXMDNUAMILGW-DZGCQCFKSA-N 2 2 334.464 3.001 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC[N@H+]1C ZINC000756127075 1300443351 /nfs/dbraw/zinc/44/33/51/1300443351.db2.gz HETXMDNUAMILGW-DZGCQCFKSA-N 2 2 334.464 3.001 20 0 EGADLP Cc1cnc(=S)n(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000758299170 1300845689 /nfs/dbraw/zinc/84/56/89/1300845689.db2.gz UNXQIMNPEPMYSU-UHFFFAOYSA-N 2 2 334.533 3.467 20 0 EGADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201182 1300981418 /nfs/dbraw/zinc/98/14/18/1300981418.db2.gz HJTSZRFKWWGBOZ-APWZRJJASA-N 2 2 332.488 3.032 20 0 EGADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000880201182 1300981429 /nfs/dbraw/zinc/98/14/29/1300981429.db2.gz HJTSZRFKWWGBOZ-APWZRJJASA-N 2 2 332.488 3.032 20 0 EGADLP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000759135596 1301023146 /nfs/dbraw/zinc/02/31/46/1301023146.db2.gz NGJOHOMVQHZKAM-LSDHHAIUSA-N 2 2 327.513 3.142 20 0 EGADLP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000759135596 1301023152 /nfs/dbraw/zinc/02/31/52/1301023152.db2.gz NGJOHOMVQHZKAM-LSDHHAIUSA-N 2 2 327.513 3.142 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1C ZINC000764460530 1302066624 /nfs/dbraw/zinc/06/66/24/1302066624.db2.gz MLAYHVAQXJKFHA-GOSISDBHSA-N 2 2 345.487 3.120 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1C ZINC000764460530 1302066627 /nfs/dbraw/zinc/06/66/27/1302066627.db2.gz MLAYHVAQXJKFHA-GOSISDBHSA-N 2 2 345.487 3.120 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000764805610 1302139437 /nfs/dbraw/zinc/13/94/37/1302139437.db2.gz GOYNTCPDWHVVKA-UHFFFAOYSA-N 3 2 332.536 3.041 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000764805610 1302139441 /nfs/dbraw/zinc/13/94/41/1302139441.db2.gz GOYNTCPDWHVVKA-UHFFFAOYSA-N 3 2 332.536 3.041 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000766458626 1302456103 /nfs/dbraw/zinc/45/61/03/1302456103.db2.gz GFDNFKLIEYQWRW-SFHVURJKSA-N 2 2 347.459 3.079 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000767434222 1302674818 /nfs/dbraw/zinc/67/48/18/1302674818.db2.gz LVGHUOUDNYUUMI-CZUORRHYSA-N 2 2 341.390 3.155 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000767434222 1302674833 /nfs/dbraw/zinc/67/48/33/1302674833.db2.gz LVGHUOUDNYUUMI-CZUORRHYSA-N 2 2 341.390 3.155 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCCO2 ZINC000768511426 1302920990 /nfs/dbraw/zinc/92/09/90/1302920990.db2.gz IWCSBQULMZKOSX-CMKODMSKSA-N 2 2 344.499 3.477 20 0 EGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCCO2 ZINC000768511426 1302920996 /nfs/dbraw/zinc/92/09/96/1302920996.db2.gz IWCSBQULMZKOSX-CMKODMSKSA-N 2 2 344.499 3.477 20 0 EGADLP Cc1[nH]c(C2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)[nH+]c1C ZINC000884707377 1302959710 /nfs/dbraw/zinc/95/97/10/1302959710.db2.gz IOHXMAHTUWKTCP-UHFFFAOYSA-N 2 2 340.475 3.191 20 0 EGADLP CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000769865192 1303184122 /nfs/dbraw/zinc/18/41/22/1303184122.db2.gz AHCAGUMRUPLGJF-HNNXBMFYSA-N 2 2 343.471 3.228 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000886188483 1303391071 /nfs/dbraw/zinc/39/10/71/1303391071.db2.gz STEPCYABYZXIFN-PZJWPPBQSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000886188483 1303391077 /nfs/dbraw/zinc/39/10/77/1303391077.db2.gz STEPCYABYZXIFN-PZJWPPBQSA-N 2 2 346.515 3.026 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615444 1303525864 /nfs/dbraw/zinc/52/58/64/1303525864.db2.gz GLOBHDPYYXELHW-HNAYVOBHSA-N 2 2 345.462 3.121 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000886615444 1303525868 /nfs/dbraw/zinc/52/58/68/1303525868.db2.gz GLOBHDPYYXELHW-HNAYVOBHSA-N 2 2 345.462 3.121 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](CO)CC(C)(C)C)CC2)cc1 ZINC000773079995 1303620295 /nfs/dbraw/zinc/62/02/95/1303620295.db2.gz ZRINEKIGDNUGCY-KRWDZBQOSA-N 2 2 333.520 3.108 20 0 EGADLP COCCC1(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000773078314 1303620425 /nfs/dbraw/zinc/62/04/25/1303620425.db2.gz FWSOVUJJXWFAIY-UHFFFAOYSA-N 2 2 331.504 3.128 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870272 1303621393 /nfs/dbraw/zinc/62/13/93/1303621393.db2.gz UNDLWCWGQVYKKE-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)co2)cc1 ZINC000886870272 1303621396 /nfs/dbraw/zinc/62/13/96/1303621396.db2.gz UNDLWCWGQVYKKE-HXUWFJFHSA-N 2 2 341.455 3.316 20 0 EGADLP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604423 1303991798 /nfs/dbraw/zinc/99/17/98/1303991798.db2.gz QWGAMQVNUPYDKD-MAUKXSAKSA-N 2 2 340.870 3.463 20 0 EGADLP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000775604423 1303991802 /nfs/dbraw/zinc/99/18/02/1303991802.db2.gz QWGAMQVNUPYDKD-MAUKXSAKSA-N 2 2 340.870 3.463 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000775620619 1303995451 /nfs/dbraw/zinc/99/54/51/1303995451.db2.gz DLKWIIBAKLUHQI-IKGGRYGDSA-N 2 2 339.524 3.142 20 0 EGADLP Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000776249151 1304120854 /nfs/dbraw/zinc/12/08/54/1304120854.db2.gz TWNCOSCEWWEAFF-IBGZPJMESA-N 2 2 325.387 3.143 20 0 EGADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014084 1304518339 /nfs/dbraw/zinc/51/83/39/1304518339.db2.gz OIIDDJRNMLAGEN-ZACQAIPSSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000779014084 1304518343 /nfs/dbraw/zinc/51/83/43/1304518343.db2.gz OIIDDJRNMLAGEN-ZACQAIPSSA-N 2 2 339.524 3.001 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000780740288 1304732462 /nfs/dbraw/zinc/73/24/62/1304732462.db2.gz BIEPCAFHEWXLFR-DLBZAZTESA-N 2 2 347.503 3.064 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1)C(C)C ZINC000783379774 1305085096 /nfs/dbraw/zinc/08/50/96/1305085096.db2.gz ZQDBJJVRHXLUAB-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1)C(C)C ZINC000783379774 1305085102 /nfs/dbraw/zinc/08/51/02/1305085102.db2.gz ZQDBJJVRHXLUAB-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CCCn1cc[nH+]c1 ZINC000891566026 1305091960 /nfs/dbraw/zinc/09/19/60/1305091960.db2.gz BCMGFTUFKQSPRQ-SFHVURJKSA-N 2 2 342.487 3.263 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892235936 1305290811 /nfs/dbraw/zinc/29/08/11/1305290811.db2.gz PZTKDYZZKISQRH-QUCCMNQESA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000892235936 1305290816 /nfs/dbraw/zinc/29/08/16/1305290816.db2.gz PZTKDYZZKISQRH-QUCCMNQESA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000892235936 1305290819 /nfs/dbraw/zinc/29/08/19/1305290819.db2.gz PZTKDYZZKISQRH-QUCCMNQESA-N 2 2 328.504 3.132 20 0 EGADLP c1nn(CC2CCC2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000892235936 1305290822 /nfs/dbraw/zinc/29/08/22/1305290822.db2.gz PZTKDYZZKISQRH-QUCCMNQESA-N 2 2 328.504 3.132 20 0 EGADLP CCn1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000892600670 1305462232 /nfs/dbraw/zinc/46/22/32/1305462232.db2.gz MATIDHNPVRPNHR-IRXDYDNUSA-N 2 2 341.503 3.066 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@]1(C)CCCO1 ZINC000788609339 1305980060 /nfs/dbraw/zinc/98/00/60/1305980060.db2.gz HOOGDMADMREEBR-JXFKEZNVSA-N 2 2 331.504 3.269 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4oc(=O)oc4c3)C2)CC1 ZINC000893977739 1306160661 /nfs/dbraw/zinc/16/06/61/1306160661.db2.gz HWGOXGQETLXPGU-QGZVFWFLSA-N 2 2 344.455 3.330 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4oc(=O)oc4c3)C2)CC1 ZINC000893977739 1306160663 /nfs/dbraw/zinc/16/06/63/1306160663.db2.gz HWGOXGQETLXPGU-QGZVFWFLSA-N 2 2 344.455 3.330 20 0 EGADLP Cc1ncoc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000894019444 1306177108 /nfs/dbraw/zinc/17/71/08/1306177108.db2.gz NCHPWCDEYUXLQS-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000894019444 1306177111 /nfs/dbraw/zinc/17/71/11/1306177111.db2.gz NCHPWCDEYUXLQS-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000894019444 1306177112 /nfs/dbraw/zinc/17/71/12/1306177112.db2.gz NCHPWCDEYUXLQS-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000894019444 1306177116 /nfs/dbraw/zinc/17/71/16/1306177116.db2.gz NCHPWCDEYUXLQS-HXUWFJFHSA-N 2 2 325.456 3.471 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046628 1306189456 /nfs/dbraw/zinc/18/94/56/1306189456.db2.gz XEZSYAKBQORNRW-GJZGRUSLSA-N 2 2 343.471 3.259 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046628 1306189459 /nfs/dbraw/zinc/18/94/59/1306189459.db2.gz XEZSYAKBQORNRW-GJZGRUSLSA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046628 1306189462 /nfs/dbraw/zinc/18/94/62/1306189462.db2.gz XEZSYAKBQORNRW-GJZGRUSLSA-N 2 2 343.471 3.259 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c3ccccc3[nH]c2C(=O)OC)C[C@@H]1C ZINC000894046628 1306189465 /nfs/dbraw/zinc/18/94/65/1306189465.db2.gz XEZSYAKBQORNRW-GJZGRUSLSA-N 2 2 343.471 3.259 20 0 EGADLP CC(C)([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000792880539 1309250202 /nfs/dbraw/zinc/25/02/02/1309250202.db2.gz GCDVSFYJYNQMHR-HXUWFJFHSA-N 2 2 346.515 3.072 20 0 EGADLP CC(C)([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000792880539 1309250209 /nfs/dbraw/zinc/25/02/09/1309250209.db2.gz GCDVSFYJYNQMHR-HXUWFJFHSA-N 2 2 346.515 3.072 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000793523850 1309393522 /nfs/dbraw/zinc/39/35/22/1309393522.db2.gz GLTUPVJYWBQXBZ-ILZDJORESA-N 2 2 332.488 3.379 20 0 EGADLP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000793523850 1309393531 /nfs/dbraw/zinc/39/35/31/1309393531.db2.gz GLTUPVJYWBQXBZ-ILZDJORESA-N 2 2 332.488 3.379 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382348 1309515161 /nfs/dbraw/zinc/51/51/61/1309515161.db2.gz HAKDYNCJJNDVOZ-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382348 1309515137 /nfs/dbraw/zinc/51/51/37/1309515137.db2.gz HAKDYNCJJNDVOZ-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382348 1309515145 /nfs/dbraw/zinc/51/51/45/1309515145.db2.gz HAKDYNCJJNDVOZ-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(Br)n2)C[C@H]1C ZINC000794382348 1309515155 /nfs/dbraw/zinc/51/51/55/1309515155.db2.gz HAKDYNCJJNDVOZ-OCCSQVGLSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382346 1309515366 /nfs/dbraw/zinc/51/53/66/1309515366.db2.gz HAKDYNCJJNDVOZ-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382346 1309515369 /nfs/dbraw/zinc/51/53/69/1309515369.db2.gz HAKDYNCJJNDVOZ-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382346 1309515372 /nfs/dbraw/zinc/51/53/72/1309515372.db2.gz HAKDYNCJJNDVOZ-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)n2)C[C@@H]1C ZINC000794382346 1309515373 /nfs/dbraw/zinc/51/53/73/1309515373.db2.gz HAKDYNCJJNDVOZ-GXTWGEPZSA-N 2 2 326.282 3.149 20 0 EGADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OC)c(OC)c2C)CC1 ZINC000895821725 1309536357 /nfs/dbraw/zinc/53/63/57/1309536357.db2.gz IFXPLNFTGQROAH-UHFFFAOYSA-N 2 2 332.488 3.463 20 0 EGADLP CC(C)OCc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796263535 1309946715 /nfs/dbraw/zinc/94/67/15/1309946715.db2.gz XMQIVTSYFMACDU-UHFFFAOYSA-N 2 2 333.501 3.420 20 0 EGADLP Cc1ccc([C@@H](O)[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000797059736 1310135136 /nfs/dbraw/zinc/13/51/36/1310135136.db2.gz KVEQGEWHCZQMDE-JXFKEZNVSA-N 2 2 325.456 3.071 20 0 EGADLP COc1cccc(-c2cc(C[NH2+]Cc3c[nH+]ccc3N(C)C)on2)c1 ZINC000897841152 1310487708 /nfs/dbraw/zinc/48/77/08/1310487708.db2.gz JRBZQXCRWIKLKH-UHFFFAOYSA-N 2 2 338.411 3.101 20 0 EGADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897984823 1310539289 /nfs/dbraw/zinc/53/92/89/1310539289.db2.gz HQXSOZFRKMDDFH-NRFANRHFSA-N 2 2 344.499 3.351 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cnn(CC2CCC2)c1 ZINC000898180342 1310615740 /nfs/dbraw/zinc/61/57/40/1310615740.db2.gz XVJCUNPQFLOLJZ-INIZCTEOSA-N 2 2 339.487 3.398 20 0 EGADLP Cc1cc(C)c(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)c[nH+]1 ZINC000857282253 1328525816 /nfs/dbraw/zinc/52/58/16/1328525816.db2.gz SGJATOIFEQKWBT-LJQANCHMSA-N 2 2 337.467 3.438 20 0 EGADLP Cc1cc(C)c(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)c[nH+]1 ZINC000857282253 1328525818 /nfs/dbraw/zinc/52/58/18/1328525818.db2.gz SGJATOIFEQKWBT-LJQANCHMSA-N 2 2 337.467 3.438 20 0 EGADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929474736 1328607896 /nfs/dbraw/zinc/60/78/96/1328607896.db2.gz XHZXRIPTUOCPES-IBGZPJMESA-N 2 2 334.423 3.130 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCC3CCCC3)C2)c(C)[nH+]1 ZINC001019171688 1317086952 /nfs/dbraw/zinc/08/69/52/1317086952.db2.gz KKSYTNJMSSJLRC-SFHVURJKSA-N 2 2 329.488 3.391 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@@H]([NH2+]Cc4ccc(C)cc4)C3)ccn12 ZINC001020153390 1317565934 /nfs/dbraw/zinc/56/59/34/1317565934.db2.gz HWSFJHRDWMDGIT-WGSAOQKQSA-N 2 2 348.450 3.002 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000902485095 1317582659 /nfs/dbraw/zinc/58/26/59/1317582659.db2.gz YWGLYCGNYWKGHU-SJLPKXTDSA-N 2 2 342.487 3.182 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902481608 1317582869 /nfs/dbraw/zinc/58/28/69/1317582869.db2.gz FNPZUEZHEVTWJB-CRAIPNDOSA-N 2 2 332.492 3.399 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902484250 1317582966 /nfs/dbraw/zinc/58/29/66/1317582966.db2.gz VCDWDBVXYAYZRD-CTNGQTDRSA-N 2 2 339.483 3.496 20 0 EGADLP Cc1[nH+]ccn1CCCOc1c(C)cc(C[NH+]2CCOCC2)cc1C ZINC000902520625 1317585710 /nfs/dbraw/zinc/58/57/10/1317585710.db2.gz GASDGSSZLWLRGF-UHFFFAOYSA-N 2 2 343.471 3.110 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)N2CCCC2)o1 ZINC000903086587 1317650957 /nfs/dbraw/zinc/65/09/57/1317650957.db2.gz PVQAODIEZZPMJG-QZNYNHHHSA-N 2 2 343.515 3.472 20 0 EGADLP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)N2CCCC2)o1 ZINC000903086587 1317650965 /nfs/dbraw/zinc/65/09/65/1317650965.db2.gz PVQAODIEZZPMJG-QZNYNHHHSA-N 2 2 343.515 3.472 20 0 EGADLP c1nnc([C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2ccccc2)[nH]1 ZINC000808700075 1317717886 /nfs/dbraw/zinc/71/78/86/1317717886.db2.gz BMHFXHCOHCTVHI-CTWPCTMYSA-N 2 2 339.487 3.281 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245830 1328721242 /nfs/dbraw/zinc/72/12/42/1328721242.db2.gz PEXGRCPNARAAMD-GFCCVEGCSA-N 2 2 341.286 3.463 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000858245830 1328721246 /nfs/dbraw/zinc/72/12/46/1328721246.db2.gz PEXGRCPNARAAMD-GFCCVEGCSA-N 2 2 341.286 3.463 20 0 EGADLP Cc1cc(N)[nH+]cc1-c1noc(-c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC000904265865 1317819610 /nfs/dbraw/zinc/81/96/10/1317819610.db2.gz SWICLHWXLONJNZ-UHFFFAOYSA-N 2 2 339.399 3.268 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000904346598 1317833885 /nfs/dbraw/zinc/83/38/85/1317833885.db2.gz UUESWVPADQAOMO-ZWKOTPCHSA-N 2 2 349.563 3.255 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000809995772 1317933928 /nfs/dbraw/zinc/93/39/28/1317933928.db2.gz WCKZRUJUMVYKEC-GOSISDBHSA-N 2 2 330.403 3.106 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC000959990663 1318302425 /nfs/dbraw/zinc/30/24/25/1318302425.db2.gz ONJUQXPRKCSAGR-AEFFLSMTSA-N 2 2 340.471 3.074 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000960152211 1318384708 /nfs/dbraw/zinc/38/47/08/1318384708.db2.gz XDEMEKOTBDULTA-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960156024 1318389910 /nfs/dbraw/zinc/38/99/10/1318389910.db2.gz QABDBWQAJSMSGM-LPHOPBHVSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960156024 1318389918 /nfs/dbraw/zinc/38/99/18/1318389918.db2.gz QABDBWQAJSMSGM-LPHOPBHVSA-N 2 2 344.503 3.059 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]C(C)C)c(C)[nH+]1 ZINC000960288374 1318445620 /nfs/dbraw/zinc/44/56/20/1318445620.db2.gz QEROQLJEWOHMJP-UYAOXDASSA-N 2 2 337.467 3.401 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[NH2+]Cc2ccccc21 ZINC000911764502 1318766880 /nfs/dbraw/zinc/76/68/80/1318766880.db2.gz UYWDHLAFCFISGP-UHFFFAOYSA-N 2 2 339.439 3.016 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001022285866 1318876972 /nfs/dbraw/zinc/87/69/72/1318876972.db2.gz MVPLVPLFAOFKRY-RRQGHBQHSA-N 2 2 334.423 3.175 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1Cl ZINC000815127029 1318903134 /nfs/dbraw/zinc/90/31/34/1318903134.db2.gz JSNPQRYKYQPHCB-IUODEOHRSA-N 2 2 338.908 3.308 20 0 EGADLP Cn1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1Cl ZINC000815127029 1318903141 /nfs/dbraw/zinc/90/31/41/1318903141.db2.gz JSNPQRYKYQPHCB-IUODEOHRSA-N 2 2 338.908 3.308 20 0 EGADLP CCc1nocc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000815126681 1318903792 /nfs/dbraw/zinc/90/37/92/1318903792.db2.gz DXCZSGLNWLOHHL-UHFFFAOYSA-N 2 2 328.460 3.062 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)c1cccc2ccccc21 ZINC001022775535 1319102566 /nfs/dbraw/zinc/10/25/66/1319102566.db2.gz WNEVKAGWQIYCJP-OIISXLGYSA-N 2 2 348.450 3.103 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000817902146 1319454633 /nfs/dbraw/zinc/45/46/33/1319454633.db2.gz JGXQPASUYIRVIN-ORYQWCPZSA-N 2 2 340.467 3.029 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000817972113 1319481049 /nfs/dbraw/zinc/48/10/49/1319481049.db2.gz JWBWGZAJRXKLKP-IAGOWNOFSA-N 3 2 333.520 3.330 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)CCC[NH2+]1 ZINC000817975281 1319482718 /nfs/dbraw/zinc/48/27/18/1319482718.db2.gz SOAVNKDBFYFIBH-CXAGYDPISA-N 2 2 326.868 3.076 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@@H+](CCC(C)C)C3)ccn12 ZINC001023371404 1319484232 /nfs/dbraw/zinc/48/42/32/1319484232.db2.gz YVQKDBLSGOQZHM-KRWDZBQOSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CCC[N@H+](CCC(C)C)C3)ccn12 ZINC001023371404 1319484236 /nfs/dbraw/zinc/48/42/36/1319484236.db2.gz YVQKDBLSGOQZHM-KRWDZBQOSA-N 2 2 342.487 3.131 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416197 1319572179 /nfs/dbraw/zinc/57/21/79/1319572179.db2.gz SFPIXLYSGJWBFB-IEBWSBKVSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961416197 1319572181 /nfs/dbraw/zinc/57/21/81/1319572181.db2.gz SFPIXLYSGJWBFB-IEBWSBKVSA-N 2 2 346.519 3.193 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819078704 1319629101 /nfs/dbraw/zinc/62/91/01/1319629101.db2.gz LAUOGPHDASEUQN-JKSUJKDBSA-N 2 2 330.394 3.203 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000819340284 1319703131 /nfs/dbraw/zinc/70/31/31/1319703131.db2.gz VERMNWUIIPPTIP-YJBOKZPZSA-N 2 2 326.431 3.098 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000819339713 1319703151 /nfs/dbraw/zinc/70/31/51/1319703151.db2.gz OLAGMFZXENXMGA-MAUKXSAKSA-N 2 2 326.431 3.098 20 0 EGADLP Cn1c[nH+]cc1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820840747 1319966519 /nfs/dbraw/zinc/96/65/19/1319966519.db2.gz BNQUZLNMBIJVPJ-IHWFROFDSA-N 3 2 338.499 3.138 20 0 EGADLP Cn1c[nH+]cc1CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820840747 1319966523 /nfs/dbraw/zinc/96/65/23/1319966523.db2.gz BNQUZLNMBIJVPJ-IHWFROFDSA-N 3 2 338.499 3.138 20 0 EGADLP CC[N@H+](CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000823753463 1320203953 /nfs/dbraw/zinc/20/39/53/1320203953.db2.gz WLUSMIAMGBMFHD-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C1CC1 ZINC000823753463 1320203956 /nfs/dbraw/zinc/20/39/56/1320203956.db2.gz WLUSMIAMGBMFHD-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000823830906 1320209818 /nfs/dbraw/zinc/20/98/18/1320209818.db2.gz IYBVYEDKSFUZLG-OWCLPIDISA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000823830906 1320209823 /nfs/dbraw/zinc/20/98/23/1320209823.db2.gz IYBVYEDKSFUZLG-OWCLPIDISA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747940 1321140435 /nfs/dbraw/zinc/14/04/35/1321140435.db2.gz BWHDWFZXUSVPPM-UTKZUKDTSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747940 1321140437 /nfs/dbraw/zinc/14/04/37/1321140437.db2.gz BWHDWFZXUSVPPM-UTKZUKDTSA-N 2 2 338.499 3.392 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC(=O)CC ZINC000840917311 1321177479 /nfs/dbraw/zinc/17/74/79/1321177479.db2.gz REQAMLQZJQCJMD-KRWDZBQOSA-N 2 2 348.487 3.174 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OC(=O)CC ZINC000840917311 1321177482 /nfs/dbraw/zinc/17/74/82/1321177482.db2.gz REQAMLQZJQCJMD-KRWDZBQOSA-N 2 2 348.487 3.174 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)ccc1OC(=O)CC ZINC000840917311 1321177484 /nfs/dbraw/zinc/17/74/84/1321177484.db2.gz REQAMLQZJQCJMD-KRWDZBQOSA-N 2 2 348.487 3.174 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)ccc1OC(=O)CC ZINC000840917311 1321177488 /nfs/dbraw/zinc/17/74/88/1321177488.db2.gz REQAMLQZJQCJMD-KRWDZBQOSA-N 2 2 348.487 3.174 20 0 EGADLP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc(C)c1OCc1ccccn1 ZINC000841035212 1321205113 /nfs/dbraw/zinc/20/51/13/1321205113.db2.gz IWQPEBFMDSSLGN-SFHVURJKSA-N 2 2 325.456 3.119 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100314 1321218218 /nfs/dbraw/zinc/21/82/18/1321218218.db2.gz CHMAXTQNMWICNQ-SWLSCSKDSA-N 2 2 335.883 3.082 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c(Cl)nc21 ZINC000841100314 1321218225 /nfs/dbraw/zinc/21/82/25/1321218225.db2.gz CHMAXTQNMWICNQ-SWLSCSKDSA-N 2 2 335.883 3.082 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CCCCC1 ZINC000842476496 1321393896 /nfs/dbraw/zinc/39/38/96/1321393896.db2.gz PURADYUAKOZAPA-IBGZPJMESA-N 2 2 340.467 3.279 20 0 EGADLP Cc1cccn2cc(Cc3noc([C@@H](C)[C@H]([NH3+])c4ccccc4)n3)[nH+]c12 ZINC000843182455 1321482676 /nfs/dbraw/zinc/48/26/76/1321482676.db2.gz GGSUGNNTRQGBGA-KSSFIOAISA-N 2 2 347.422 3.420 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000843184367 1321483676 /nfs/dbraw/zinc/48/36/76/1321483676.db2.gz JCOPPPQPCSEQSI-AWEZNQCLSA-N 2 2 340.431 3.322 20 0 EGADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000845921753 1321754048 /nfs/dbraw/zinc/75/40/48/1321754048.db2.gz WVPLTZRMAQXYME-UHFFFAOYSA-N 2 2 339.524 3.145 20 0 EGADLP CCC[NH+](CCC)c1ccc(NC2CC[NH+](CC(=O)OC)CC2)cc1 ZINC000846056145 1321765116 /nfs/dbraw/zinc/76/51/16/1321765116.db2.gz FRNXQPXGCOWAAE-UHFFFAOYSA-N 2 2 347.503 3.362 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCCCCCC[NH+]3CCCC3)ccn12 ZINC000847383153 1321868229 /nfs/dbraw/zinc/86/82/29/1321868229.db2.gz CDNBLXKVKWDYHX-UHFFFAOYSA-N 2 2 342.487 3.419 20 0 EGADLP CCc1ccc2c(C[NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)cc(=O)oc2c1 ZINC000848669148 1321992023 /nfs/dbraw/zinc/99/20/23/1321992023.db2.gz WSRZZWVDDMFOGR-RBUKOAKNSA-N 2 2 340.467 3.462 20 0 EGADLP CCc1ccc2c(C[NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)cc(=O)oc2c1 ZINC000848669148 1321992029 /nfs/dbraw/zinc/99/20/29/1321992029.db2.gz WSRZZWVDDMFOGR-RBUKOAKNSA-N 2 2 340.467 3.462 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCc1ccc(C)cc1)c1ccco1 ZINC000849066669 1322064225 /nfs/dbraw/zinc/06/42/25/1322064225.db2.gz MEXBTOSNQLZXRB-KRWDZBQOSA-N 2 2 328.460 3.285 20 0 EGADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])NC2CCCC2)[NH+](C)C)cc1 ZINC000849077940 1322068671 /nfs/dbraw/zinc/06/86/71/1322068671.db2.gz QRFMIKZOEBBBNI-SFHVURJKSA-N 2 2 332.492 3.133 20 0 EGADLP COc1cccc(C2([NH2+]Cc3ncc(C[NH+](C)C)s3)CCC2)c1 ZINC000850405575 1322240770 /nfs/dbraw/zinc/24/07/70/1322240770.db2.gz VCMXALAJQVOQPR-UHFFFAOYSA-N 2 2 331.485 3.382 20 0 EGADLP CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H]3C[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2O1 ZINC000922870354 1322637154 /nfs/dbraw/zinc/63/71/54/1322637154.db2.gz JUIJWJHPSLOPNG-MKXGPGLRSA-N 2 2 344.499 3.312 20 0 EGADLP CC1(C)O[C@@H]2C[C@@H]([NH2+][C@H]3C[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2O1 ZINC000922870354 1322637157 /nfs/dbraw/zinc/63/71/57/1322637157.db2.gz JUIJWJHPSLOPNG-MKXGPGLRSA-N 2 2 344.499 3.312 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516583 1322767489 /nfs/dbraw/zinc/76/74/89/1322767489.db2.gz KUELKEPCXYHXMC-ZVDOUQERSA-N 2 2 349.478 3.216 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923516583 1322767492 /nfs/dbraw/zinc/76/74/92/1322767492.db2.gz KUELKEPCXYHXMC-ZVDOUQERSA-N 2 2 349.478 3.216 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ncnn21 ZINC000924586156 1323064501 /nfs/dbraw/zinc/06/45/01/1323064501.db2.gz HQNNGMCECGKJCY-YJBOKZPZSA-N 2 2 325.460 3.060 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924701378 1323120182 /nfs/dbraw/zinc/12/01/82/1323120182.db2.gz QIDJFFRHHUJOQE-PWIZWCRZSA-N 2 2 343.515 3.321 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924701378 1323120195 /nfs/dbraw/zinc/12/01/95/1323120195.db2.gz QIDJFFRHHUJOQE-PWIZWCRZSA-N 2 2 343.515 3.321 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024085799 1323120390 /nfs/dbraw/zinc/12/03/90/1323120390.db2.gz YJARTIKVUPSRGQ-LJQANCHMSA-N 2 2 346.519 3.072 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000924715507 1323129069 /nfs/dbraw/zinc/12/90/69/1323129069.db2.gz VNMKVPYPGHZKRS-OALUTQOASA-N 2 2 335.536 3.020 20 0 EGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000924715507 1323129079 /nfs/dbraw/zinc/12/90/79/1323129079.db2.gz VNMKVPYPGHZKRS-OALUTQOASA-N 2 2 335.536 3.020 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cnnn1-c1ccccc1 ZINC000924924889 1323214875 /nfs/dbraw/zinc/21/48/75/1323214875.db2.gz CMQQCSAFIUYTGT-INIZCTEOSA-N 2 2 336.443 3.205 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c2ncnn21 ZINC000924964670 1323229959 /nfs/dbraw/zinc/22/99/59/1323229959.db2.gz SEZSULFVWUFCQR-APWZRJJASA-N 2 2 339.487 3.306 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236706 1324026890 /nfs/dbraw/zinc/02/68/90/1324026890.db2.gz HMLGKSAOKBGSMN-RTBURBONSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001025236706 1324026892 /nfs/dbraw/zinc/02/68/92/1324026892.db2.gz HMLGKSAOKBGSMN-RTBURBONSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236706 1324026902 /nfs/dbraw/zinc/02/69/02/1324026902.db2.gz HMLGKSAOKBGSMN-RTBURBONSA-N 2 2 346.519 3.234 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001025236706 1324026906 /nfs/dbraw/zinc/02/69/06/1324026906.db2.gz HMLGKSAOKBGSMN-RTBURBONSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457704 1324298850 /nfs/dbraw/zinc/29/88/50/1324298850.db2.gz DPURKCMHAHPAGJ-CABCVRRESA-N 2 2 328.460 3.193 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025457704 1324298857 /nfs/dbraw/zinc/29/88/57/1324298857.db2.gz DPURKCMHAHPAGJ-CABCVRRESA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582318 1324422749 /nfs/dbraw/zinc/42/27/49/1324422749.db2.gz RFPKYZAILDXYQF-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582318 1324422756 /nfs/dbraw/zinc/42/27/56/1324422756.db2.gz RFPKYZAILDXYQF-SJLPKXTDSA-N 2 2 340.471 3.111 20 0 EGADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000931773833 1329180645 /nfs/dbraw/zinc/18/06/45/1329180645.db2.gz UYEWFCCEVGAICI-HNNXBMFYSA-N 2 2 342.443 3.008 20 0 EGADLP CC[C@H]([NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001026583231 1324910638 /nfs/dbraw/zinc/91/06/38/1324910638.db2.gz MELQIJPORQYSBR-ABHNRTSZSA-N 2 2 340.471 3.121 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C3CCC([NH2+]CC4CC4)CC3)ccn12 ZINC000963326732 1325110847 /nfs/dbraw/zinc/11/08/47/1325110847.db2.gz FNUQIGKQCBUDFV-UHFFFAOYSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccc(OCc2ccccn2)c1 ZINC000925471594 1325165153 /nfs/dbraw/zinc/16/51/53/1325165153.db2.gz CDTBASGOQWMOCC-JUHWBVTKSA-N 2 2 349.478 3.308 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1OC1CCCC1 ZINC000925479499 1325168357 /nfs/dbraw/zinc/16/83/57/1325168357.db2.gz RNODVQNJGRYUSA-GBLDMPDPSA-N 2 2 342.483 3.103 20 0 EGADLP COc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1OC1CCCC1 ZINC000925479500 1325168525 /nfs/dbraw/zinc/16/85/25/1325168525.db2.gz RNODVQNJGRYUSA-HWIQRTGZSA-N 2 2 342.483 3.103 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000925596795 1325227432 /nfs/dbraw/zinc/22/74/32/1325227432.db2.gz WPGDMECEBMIYHR-APWZRJJASA-N 2 2 334.467 3.315 20 0 EGADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792060 1325303065 /nfs/dbraw/zinc/30/30/65/1325303065.db2.gz OBWRIWUJPMAKTI-HKUYNNGSSA-N 2 2 328.500 3.429 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925835044 1325321788 /nfs/dbraw/zinc/32/17/88/1325321788.db2.gz LMJRRNLDWYFGIY-DZGCQCFKSA-N 2 2 338.377 3.022 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963670084 1325369118 /nfs/dbraw/zinc/36/91/18/1325369118.db2.gz JZIAHZSDSAUMNJ-UHFFFAOYSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)c1cc[nH]c(=O)c1 ZINC000926517415 1325585075 /nfs/dbraw/zinc/58/50/75/1325585075.db2.gz AWZARQYILYRQJF-INIZCTEOSA-N 2 2 325.456 3.493 20 0 EGADLP C[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)c1cc[nH]c(=O)c1 ZINC000926517415 1325585078 /nfs/dbraw/zinc/58/50/78/1325585078.db2.gz AWZARQYILYRQJF-INIZCTEOSA-N 2 2 325.456 3.493 20 0 EGADLP C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490549 1327750072 /nfs/dbraw/zinc/75/00/72/1327750072.db2.gz VUBSQXQNXMQRJG-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP C[N@@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001027490549 1327750077 /nfs/dbraw/zinc/75/00/77/1327750077.db2.gz VUBSQXQNXMQRJG-QGZVFWFLSA-N 2 2 340.471 3.061 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916965 1328471030 /nfs/dbraw/zinc/47/10/30/1328471030.db2.gz ULBFRZXJLICWFD-KDOFPFPSSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000966916965 1328471052 /nfs/dbraw/zinc/47/10/52/1328471052.db2.gz ULBFRZXJLICWFD-KDOFPFPSSA-N 2 2 328.460 3.049 20 0 EGADLP c1cn(Cc2cccc(-c3ccc(CN4CC[NH2+]CC4)cc3)c2)c[nH+]1 ZINC000863689703 1329575246 /nfs/dbraw/zinc/57/52/46/1329575246.db2.gz DTGWFPPKMBIXSU-UHFFFAOYSA-N 2 2 332.451 3.004 20 0 EGADLP CSCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000932588027 1329825314 /nfs/dbraw/zinc/82/53/14/1329825314.db2.gz YEAYRVFCXVPXNF-FQEVSTJZSA-N 2 2 348.556 3.353 20 0 EGADLP CSCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000932588027 1329825315 /nfs/dbraw/zinc/82/53/15/1329825315.db2.gz YEAYRVFCXVPXNF-FQEVSTJZSA-N 2 2 348.556 3.353 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932818784 1329843476 /nfs/dbraw/zinc/84/34/76/1329843476.db2.gz ITVYPJSNOTUUFY-UHFFFAOYSA-N 2 2 325.456 3.308 20 0 EGADLP CCC[N@H+](CCc1cnn(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187499 1329953553 /nfs/dbraw/zinc/95/35/53/1329953553.db2.gz DIMSCSAKXIFKNQ-UHFFFAOYSA-N 2 2 340.515 3.339 20 0 EGADLP CCC[N@@H+](CCc1cnn(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934187499 1329953554 /nfs/dbraw/zinc/95/35/54/1329953554.db2.gz DIMSCSAKXIFKNQ-UHFFFAOYSA-N 2 2 340.515 3.339 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339522 1330098423 /nfs/dbraw/zinc/09/84/23/1330098423.db2.gz LBNGLUUMUSWUBI-RISCZKNCSA-N 2 2 334.407 3.016 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(SC(F)(F)F)c1 ZINC000866339522 1330098425 /nfs/dbraw/zinc/09/84/25/1330098425.db2.gz LBNGLUUMUSWUBI-RISCZKNCSA-N 2 2 334.407 3.016 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183441 1331866853 /nfs/dbraw/zinc/86/68/53/1331866853.db2.gz HEKNLINZMKQEOL-YOEHRIQHSA-N 2 2 342.487 3.439 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC000942183441 1331866858 /nfs/dbraw/zinc/86/68/58/1331866858.db2.gz HEKNLINZMKQEOL-YOEHRIQHSA-N 2 2 342.487 3.439 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@@H+](CCCF)C[C@H]3CC2)c(C)[nH+]1 ZINC000946688236 1332877253 /nfs/dbraw/zinc/87/72/53/1332877253.db2.gz NJZJSOKQOXEBJV-HDICACEKSA-N 2 2 347.478 3.150 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]3CC2)c(C)[nH+]1 ZINC000946688236 1332877255 /nfs/dbraw/zinc/87/72/55/1332877255.db2.gz NJZJSOKQOXEBJV-HDICACEKSA-N 2 2 347.478 3.150 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCC(C)C)[C@H](C)C3)ccn12 ZINC000947315271 1333085861 /nfs/dbraw/zinc/08/58/61/1333085861.db2.gz QIHPGWHJZLDHBD-CRAIPNDOSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCC(C)C)[C@H](C)C3)ccn12 ZINC000947315271 1333085864 /nfs/dbraw/zinc/08/58/64/1333085864.db2.gz QIHPGWHJZLDHBD-CRAIPNDOSA-N 2 2 342.487 3.272 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473580 1333539324 /nfs/dbraw/zinc/53/93/24/1333539324.db2.gz IJLVUTRZRXEUJK-QGZVFWFLSA-N 2 2 334.508 3.040 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000948473580 1333539326 /nfs/dbraw/zinc/53/93/26/1333539326.db2.gz IJLVUTRZRXEUJK-QGZVFWFLSA-N 2 2 334.508 3.040 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767546 1333670781 /nfs/dbraw/zinc/67/07/81/1333670781.db2.gz YFCPFYGOJAEQNC-IRXDYDNUSA-N 2 2 344.503 3.109 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000948767546 1333670787 /nfs/dbraw/zinc/67/07/87/1333670787.db2.gz YFCPFYGOJAEQNC-IRXDYDNUSA-N 2 2 344.503 3.109 20 0 EGADLP CCN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CC2CCCC2)C1 ZINC000950447847 1334072402 /nfs/dbraw/zinc/07/24/02/1334072402.db2.gz WYTUDKAQAVQSFT-UHFFFAOYSA-N 2 2 349.544 3.146 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950469467 1334076984 /nfs/dbraw/zinc/07/69/84/1334076984.db2.gz FDOTVGQXYJUPJF-XLIONFOSSA-N 2 2 343.515 3.155 20 0 EGADLP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC000950469467 1334076985 /nfs/dbraw/zinc/07/69/85/1334076985.db2.gz FDOTVGQXYJUPJF-XLIONFOSSA-N 2 2 343.515 3.155 20 0 EGADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](CCCC2CCC2)CC1 ZINC000951183537 1334200785 /nfs/dbraw/zinc/20/07/85/1334200785.db2.gz WPZXWQORGXMGBP-UHFFFAOYSA-N 2 2 346.519 3.121 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687526 1338690592 /nfs/dbraw/zinc/69/05/92/1338690592.db2.gz JMKBKIPGWUWRBS-KSSFIOAISA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001029152864 1340943943 /nfs/dbraw/zinc/94/39/43/1340943943.db2.gz KZHRQCMDBIGISF-IRXDYDNUSA-N 2 2 346.519 3.241 20 0 EGADLP C[N@H+](CC1CCC1)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001029973928 1341140492 /nfs/dbraw/zinc/14/04/92/1341140492.db2.gz SMUSKTDDGHYOEF-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP C[N@@H+](CC1CCC1)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001029973928 1341140493 /nfs/dbraw/zinc/14/04/93/1341140493.db2.gz SMUSKTDDGHYOEF-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001031440297 1341342602 /nfs/dbraw/zinc/34/26/02/1341342602.db2.gz UEKOENCUSLHRJY-XLIONFOSSA-N 2 2 343.515 3.039 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001031440297 1341342603 /nfs/dbraw/zinc/34/26/03/1341342603.db2.gz UEKOENCUSLHRJY-XLIONFOSSA-N 2 2 343.515 3.039 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001033192849 1341748680 /nfs/dbraw/zinc/74/86/80/1341748680.db2.gz XVVHCUJWCUASGW-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001033192849 1341748682 /nfs/dbraw/zinc/74/86/82/1341748682.db2.gz XVVHCUJWCUASGW-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033949888 1342109018 /nfs/dbraw/zinc/10/90/18/1342109018.db2.gz NQULRWNYWPUWJE-CVEARBPZSA-N 2 2 346.519 3.189 20 0 EGADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033949888 1342109020 /nfs/dbraw/zinc/10/90/20/1342109020.db2.gz NQULRWNYWPUWJE-CVEARBPZSA-N 2 2 346.519 3.189 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665727 1342678716 /nfs/dbraw/zinc/67/87/16/1342678716.db2.gz SLJRIYSJTMEFRY-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665727 1342678721 /nfs/dbraw/zinc/67/87/21/1342678721.db2.gz SLJRIYSJTMEFRY-BRSBDYLESA-N 2 2 344.503 3.111 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)c[nH+]1 ZINC001034970106 1342856970 /nfs/dbraw/zinc/85/69/70/1342856970.db2.gz VCVDRXIEXGTTEO-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001036122433 1343316523 /nfs/dbraw/zinc/31/65/23/1343316523.db2.gz DXMVOBFARWAYBJ-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036242095 1343374152 /nfs/dbraw/zinc/37/41/52/1343374152.db2.gz TWBFWEHUFFOIBX-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036543676 1343546761 /nfs/dbraw/zinc/54/67/61/1343546761.db2.gz VQIMAYPZOOIADB-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037825692 1344120777 /nfs/dbraw/zinc/12/07/77/1344120777.db2.gz FTPMMCYPIMAKMQ-ZWKOTPCHSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001037909772 1344172300 /nfs/dbraw/zinc/17/23/00/1344172300.db2.gz ROUDWRRTVJOUBG-OALUTQOASA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037996927 1344226649 /nfs/dbraw/zinc/22/66/49/1344226649.db2.gz NSBWIRNCVHJVLE-MOPGFXCFSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038367279 1344400510 /nfs/dbraw/zinc/40/05/10/1344400510.db2.gz OCWKGMAJICMXIZ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001038367279 1344400512 /nfs/dbraw/zinc/40/05/12/1344400512.db2.gz OCWKGMAJICMXIZ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CC[N@@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001038367279 1344400518 /nfs/dbraw/zinc/40/05/18/1344400518.db2.gz OCWKGMAJICMXIZ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CC[N@H+]1CCC1CCCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001038367279 1344400519 /nfs/dbraw/zinc/40/05/19/1344400519.db2.gz OCWKGMAJICMXIZ-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224933 1344942882 /nfs/dbraw/zinc/94/28/82/1344942882.db2.gz JGWKYBXITXPKFG-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224933 1344942886 /nfs/dbraw/zinc/94/28/86/1344942886.db2.gz JGWKYBXITXPKFG-RBUKOAKNSA-N 2 2 346.519 3.022 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001039682406 1345158316 /nfs/dbraw/zinc/15/83/16/1345158316.db2.gz RPLGIIKXBBJQBX-CALCHBBNSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039682406 1345158322 /nfs/dbraw/zinc/15/83/22/1345158322.db2.gz RPLGIIKXBBJQBX-CALCHBBNSA-N 2 2 338.455 3.042 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040511610 1345527047 /nfs/dbraw/zinc/52/70/47/1345527047.db2.gz ZKCVMHXXTHKASU-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001040511610 1345527049 /nfs/dbraw/zinc/52/70/49/1345527049.db2.gz ZKCVMHXXTHKASU-FQEVSTJZSA-N 2 2 346.519 3.011 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)CC1 ZINC001040741154 1345572821 /nfs/dbraw/zinc/57/28/21/1345572821.db2.gz QTWXIXKUADNLEM-UHFFFAOYSA-N 2 2 346.519 3.041 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001042848146 1346121064 /nfs/dbraw/zinc/12/10/64/1346121064.db2.gz LZSSFAIIFXXPST-YLJYHZDGSA-N 2 2 343.515 3.073 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001042848146 1346121066 /nfs/dbraw/zinc/12/10/66/1346121066.db2.gz LZSSFAIIFXXPST-YLJYHZDGSA-N 2 2 343.515 3.073 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2C[NH+](CCC3CCCCC3)C2)c[nH+]1 ZINC001043060944 1346135271 /nfs/dbraw/zinc/13/52/71/1346135271.db2.gz ZEWVUMSWMBJXDS-UHFFFAOYSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043092787 1346139444 /nfs/dbraw/zinc/13/94/44/1346139444.db2.gz ZFDCQYULQHYJRZ-OAHLLOKOSA-N 2 2 348.450 3.389 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579051 1346373678 /nfs/dbraw/zinc/37/36/78/1346373678.db2.gz CJQSSDSGTZAXKS-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579690 1346373702 /nfs/dbraw/zinc/37/37/02/1346373702.db2.gz KPSPVOSQTWLYKN-SJLPKXTDSA-N 2 2 344.503 3.202 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044579461 1346373753 /nfs/dbraw/zinc/37/37/53/1346373753.db2.gz HEGVMEVALZQOKI-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044677339 1346401350 /nfs/dbraw/zinc/40/13/50/1346401350.db2.gz LKNSKKUOBXHJHG-FUHWJXTLSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044751459 1346419651 /nfs/dbraw/zinc/41/96/51/1346419651.db2.gz TYCQSIFMGQDVIN-WBVHZDCISA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044757927 1346421745 /nfs/dbraw/zinc/42/17/45/1346421745.db2.gz WTOMZCYUOJHALW-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045235633 1346537854 /nfs/dbraw/zinc/53/78/54/1346537854.db2.gz SOEUCFUJSRTUBZ-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001045235633 1346537856 /nfs/dbraw/zinc/53/78/56/1346537856.db2.gz SOEUCFUJSRTUBZ-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@]3(CC[N@@H+](C(C)C)C3)C2)c[nH+]1 ZINC001045947798 1346783480 /nfs/dbraw/zinc/78/34/80/1346783480.db2.gz OPIPHSIRXHCFEU-HXUWFJFHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCCC[C@]3(CC[N@H+](C(C)C)C3)C2)c[nH+]1 ZINC001045947798 1346783481 /nfs/dbraw/zinc/78/34/81/1346783481.db2.gz OPIPHSIRXHCFEU-HXUWFJFHSA-N 2 2 346.519 3.040 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513484 1347000359 /nfs/dbraw/zinc/00/03/59/1347000359.db2.gz XAVFYEOBWKLBCR-UZLBHIALSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513484 1347000360 /nfs/dbraw/zinc/00/03/60/1347000360.db2.gz XAVFYEOBWKLBCR-UZLBHIALSA-N 2 2 340.471 3.113 20 0 EGADLP CC[NH+]1CCC([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001047244944 1347270449 /nfs/dbraw/zinc/27/04/49/1347270449.db2.gz VZBSJKVILLQNJE-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H]([C@@H](C)[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001047910704 1347406691 /nfs/dbraw/zinc/40/66/91/1347406691.db2.gz UPYPYOVVVFUPLX-QAPCUYQASA-N 2 2 329.488 3.247 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525287 1347892341 /nfs/dbraw/zinc/89/23/41/1347892341.db2.gz DEPITLRNVJCDQI-LMSBXDPUSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049525287 1347892344 /nfs/dbraw/zinc/89/23/44/1347892344.db2.gz DEPITLRNVJCDQI-LMSBXDPUSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525287 1347892345 /nfs/dbraw/zinc/89/23/45/1347892345.db2.gz DEPITLRNVJCDQI-LMSBXDPUSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049525287 1347892347 /nfs/dbraw/zinc/89/23/47/1347892347.db2.gz DEPITLRNVJCDQI-LMSBXDPUSA-N 2 2 344.503 3.015 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551728 1347904204 /nfs/dbraw/zinc/90/42/04/1347904204.db2.gz IPFTUBGBXXSVGO-MOPGFXCFSA-N 2 2 338.455 3.208 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049551728 1347904205 /nfs/dbraw/zinc/90/42/05/1347904205.db2.gz IPFTUBGBXXSVGO-MOPGFXCFSA-N 2 2 338.455 3.208 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552055 1347905425 /nfs/dbraw/zinc/90/54/25/1347905425.db2.gz KSXPIIHXHYWFHH-RTBURBONSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552055 1347905426 /nfs/dbraw/zinc/90/54/26/1347905426.db2.gz KSXPIIHXHYWFHH-RTBURBONSA-N 2 2 340.471 3.288 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780836 1348018717 /nfs/dbraw/zinc/01/87/17/1348018717.db2.gz JKQPMMVONCOXCC-BPQIPLTHSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780836 1348018720 /nfs/dbraw/zinc/01/87/20/1348018720.db2.gz JKQPMMVONCOXCC-BPQIPLTHSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001049780836 1348018722 /nfs/dbraw/zinc/01/87/22/1348018722.db2.gz JKQPMMVONCOXCC-BPQIPLTHSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001049780836 1348018726 /nfs/dbraw/zinc/01/87/26/1348018726.db2.gz JKQPMMVONCOXCC-BPQIPLTHSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049783210 1348019806 /nfs/dbraw/zinc/01/98/06/1348019806.db2.gz SITIOSAHFPPEMF-KFKAGJAMSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001049783210 1348019809 /nfs/dbraw/zinc/01/98/09/1348019809.db2.gz SITIOSAHFPPEMF-KFKAGJAMSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049783210 1348019812 /nfs/dbraw/zinc/01/98/12/1348019812.db2.gz SITIOSAHFPPEMF-KFKAGJAMSA-N 2 2 346.519 3.090 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001049783210 1348019814 /nfs/dbraw/zinc/01/98/14/1348019814.db2.gz SITIOSAHFPPEMF-KFKAGJAMSA-N 2 2 346.519 3.090 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052498362 1348559015 /nfs/dbraw/zinc/55/90/15/1348559015.db2.gz GXZOBXPRIBNZMJ-HOCLYGCPSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052498362 1348559016 /nfs/dbraw/zinc/55/90/16/1348559016.db2.gz GXZOBXPRIBNZMJ-HOCLYGCPSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087592 1348911471 /nfs/dbraw/zinc/91/14/71/1348911471.db2.gz MMQGMARWKIVOPK-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001053087592 1348911474 /nfs/dbraw/zinc/91/14/74/1348911474.db2.gz MMQGMARWKIVOPK-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087592 1348911477 /nfs/dbraw/zinc/91/14/77/1348911477.db2.gz MMQGMARWKIVOPK-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001053087592 1348911479 /nfs/dbraw/zinc/91/14/79/1348911479.db2.gz MMQGMARWKIVOPK-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105698 1348942926 /nfs/dbraw/zinc/94/29/26/1348942926.db2.gz QGFZWJJKNJNDAA-HKUYNNGSSA-N 2 2 346.519 3.154 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001053105698 1348942928 /nfs/dbraw/zinc/94/29/28/1348942928.db2.gz QGFZWJJKNJNDAA-HKUYNNGSSA-N 2 2 346.519 3.154 20 0 EGADLP O=C(NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2)c1cc2c[nH+]ccc2[nH]1 ZINC001054269971 1349268966 /nfs/dbraw/zinc/26/89/66/1349268966.db2.gz XIYSTTWNGROIHT-UHFFFAOYSA-N 2 2 346.434 3.219 20 0 EGADLP O=C(NCc1ccc2c(c1)C[N@H+](CC1CC1)C2)c1cc2c[nH+]ccc2[nH]1 ZINC001054269971 1349268969 /nfs/dbraw/zinc/26/89/69/1349268969.db2.gz XIYSTTWNGROIHT-UHFFFAOYSA-N 2 2 346.434 3.219 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001183350588 1387302512 /nfs/dbraw/zinc/30/25/12/1387302512.db2.gz VDZPQOMXHUHOFK-INIZCTEOSA-N 2 2 347.422 3.245 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496617 1387313316 /nfs/dbraw/zinc/31/33/16/1387313316.db2.gz OQEBOXAXLWTLMB-MSOLQXFVSA-N 2 2 334.508 3.241 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496848 1387313602 /nfs/dbraw/zinc/31/36/02/1387313602.db2.gz PZJXPAAOBLTJRO-MSOLQXFVSA-N 2 2 334.508 3.097 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746431 1358727729 /nfs/dbraw/zinc/72/77/29/1358727729.db2.gz HEXGYQWMCMPHMT-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746431 1358727733 /nfs/dbraw/zinc/72/77/33/1358727733.db2.gz HEXGYQWMCMPHMT-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926438 1359251255 /nfs/dbraw/zinc/25/12/55/1359251255.db2.gz YMEWKQCSYYGYHZ-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926438 1359251258 /nfs/dbraw/zinc/25/12/58/1359251258.db2.gz YMEWKQCSYYGYHZ-IRXDYDNUSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001086935381 1359258701 /nfs/dbraw/zinc/25/87/01/1359258701.db2.gz PQOHMAMFWJJOHE-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP C[C@H]1CC2(CN1C(=O)Cc1[nH]cc[nH+]1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086950733 1359271244 /nfs/dbraw/zinc/27/12/44/1359271244.db2.gz IYGAEEFDSKRHCC-INIZCTEOSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@@H+]1CC1CCC1 ZINC001087571919 1359537475 /nfs/dbraw/zinc/53/74/75/1359537475.db2.gz SLXUBCARUZLIDR-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H]1[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC[N@H+]1CC1CCC1 ZINC001087571919 1359537478 /nfs/dbraw/zinc/53/74/78/1359537478.db2.gz SLXUBCARUZLIDR-ZWKOTPCHSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124439 1359765144 /nfs/dbraw/zinc/76/51/44/1359765144.db2.gz MGWWQQYBXCNFSR-KSZLIROESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1)n1cc[nH+]c1 ZINC001088124439 1359765146 /nfs/dbraw/zinc/76/51/46/1359765146.db2.gz MGWWQQYBXCNFSR-KSZLIROESA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)[NH2+][C@H]1CCCCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001088354596 1359838324 /nfs/dbraw/zinc/83/83/24/1359838324.db2.gz BBMYQUGJTBSOTH-SFHVURJKSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1)c1ccccc1 ZINC001088434097 1359902661 /nfs/dbraw/zinc/90/26/61/1359902661.db2.gz OZPQYVNJZSNUBU-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702944 1387423933 /nfs/dbraw/zinc/42/39/33/1387423933.db2.gz KNGNORIOLNRUEW-ZWKOTPCHSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702944 1387423936 /nfs/dbraw/zinc/42/39/36/1387423936.db2.gz KNGNORIOLNRUEW-ZWKOTPCHSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccnc2N(C)C)C1 ZINC001323702944 1387423938 /nfs/dbraw/zinc/42/39/38/1387423938.db2.gz KNGNORIOLNRUEW-ZWKOTPCHSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC001323702944 1387423941 /nfs/dbraw/zinc/42/39/41/1387423941.db2.gz KNGNORIOLNRUEW-ZWKOTPCHSA-N 2 2 330.520 3.234 20 0 EGADLP C[N@H+](C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC001089234312 1360273294 /nfs/dbraw/zinc/27/32/94/1360273294.db2.gz VYIFCXNPVOWZHY-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)CC1CCCCCC1 ZINC001089234312 1360273297 /nfs/dbraw/zinc/27/32/97/1360273297.db2.gz VYIFCXNPVOWZHY-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419752 1360414050 /nfs/dbraw/zinc/41/40/50/1360414050.db2.gz HTHXDGFZOCCRLD-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419752 1360414052 /nfs/dbraw/zinc/41/40/52/1360414052.db2.gz HTHXDGFZOCCRLD-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486791 1360467090 /nfs/dbraw/zinc/46/70/90/1360467090.db2.gz CVYDRACEQMWFIL-HOTGVXAUSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486791 1360467091 /nfs/dbraw/zinc/46/70/91/1360467091.db2.gz CVYDRACEQMWFIL-HOTGVXAUSA-N 2 2 346.519 3.092 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCCCCC(=O)C1 ZINC001324042737 1387517531 /nfs/dbraw/zinc/51/75/31/1387517531.db2.gz QISURYNHRSQUFO-AWEZNQCLSA-N 2 2 326.400 3.054 20 0 EGADLP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001098814208 1363479318 /nfs/dbraw/zinc/47/93/18/1363479318.db2.gz OIZGXYBNYXDKPO-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098814208 1363479322 /nfs/dbraw/zinc/47/93/22/1363479322.db2.gz OIZGXYBNYXDKPO-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001098820212 1363481834 /nfs/dbraw/zinc/48/18/34/1363481834.db2.gz GOAKLXBRILGFDO-LPHOPBHVSA-N 2 2 346.519 3.058 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099115644 1363632042 /nfs/dbraw/zinc/63/20/42/1363632042.db2.gz IYEWLUUWYRAPTL-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001099115644 1363632045 /nfs/dbraw/zinc/63/20/45/1363632045.db2.gz IYEWLUUWYRAPTL-QZTJIDSGSA-N 2 2 348.535 3.487 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148348 1363655886 /nfs/dbraw/zinc/65/58/86/1363655886.db2.gz CBOCBPYSBLGIDS-SJORKVTESA-N 2 2 348.535 3.006 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001099148348 1363655891 /nfs/dbraw/zinc/65/58/91/1363655891.db2.gz CBOCBPYSBLGIDS-SJORKVTESA-N 2 2 348.535 3.006 20 0 EGADLP CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309255 1363742331 /nfs/dbraw/zinc/74/23/31/1363742331.db2.gz CEHQAFSNCFNLCJ-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001099309255 1363742335 /nfs/dbraw/zinc/74/23/35/1363742335.db2.gz CEHQAFSNCFNLCJ-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101274485 1364494868 /nfs/dbraw/zinc/49/48/68/1364494868.db2.gz IEEOSOVXPRBZCY-GGPKGHCWSA-N 2 2 346.519 3.051 20 0 EGADLP CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@]2(C)C1 ZINC001101274485 1364494869 /nfs/dbraw/zinc/49/48/69/1364494869.db2.gz IEEOSOVXPRBZCY-GGPKGHCWSA-N 2 2 346.519 3.051 20 0 EGADLP CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001101550463 1364613223 /nfs/dbraw/zinc/61/32/23/1364613223.db2.gz JSMACKQKUXUEHW-UHFFFAOYSA-N 2 2 348.535 3.191 20 0 EGADLP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001185493368 1387731887 /nfs/dbraw/zinc/73/18/87/1387731887.db2.gz UWYCLOOUUUGMJA-SJORKVTESA-N 2 2 348.535 3.198 20 0 EGADLP CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253913 1365458638 /nfs/dbraw/zinc/45/86/38/1365458638.db2.gz UEFBKZAUWOXGKT-CRAIPNDOSA-N 2 2 331.504 3.495 20 0 EGADLP CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253913 1365458641 /nfs/dbraw/zinc/45/86/41/1365458641.db2.gz UEFBKZAUWOXGKT-CRAIPNDOSA-N 2 2 331.504 3.495 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103776118 1365779319 /nfs/dbraw/zinc/77/93/19/1365779319.db2.gz UWILQEDTUBCLFW-RTBURBONSA-N 2 2 348.535 3.318 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001103776118 1365779325 /nfs/dbraw/zinc/77/93/25/1365779325.db2.gz UWILQEDTUBCLFW-RTBURBONSA-N 2 2 348.535 3.318 20 0 EGADLP CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001104414225 1366013910 /nfs/dbraw/zinc/01/39/10/1366013910.db2.gz JPIDYOZYJBOQLF-GVDBMIGSSA-N 2 2 342.487 3.068 20 0 EGADLP CC[C@@H](F)C[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104435804 1366028169 /nfs/dbraw/zinc/02/81/69/1366028169.db2.gz HEGMSEBZTYSDOJ-ZTFGCOKTSA-N 2 2 349.494 3.443 20 0 EGADLP CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954917 1366240861 /nfs/dbraw/zinc/24/08/61/1366240861.db2.gz ZLMUONLTOLTLOX-WXYTYNPNSA-N 2 2 346.519 3.081 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001105096913 1366325161 /nfs/dbraw/zinc/32/51/61/1366325161.db2.gz DBYJNJAWYIJREY-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CCC1 ZINC001105584480 1366543715 /nfs/dbraw/zinc/54/37/15/1366543715.db2.gz HCLPLCKRHXUVAH-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874765 1366821185 /nfs/dbraw/zinc/82/11/85/1366821185.db2.gz SATLDZIBFXNWQU-PMKBXARWSA-N 2 2 346.519 3.118 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001111078117 1368153843 /nfs/dbraw/zinc/15/38/43/1368153843.db2.gz KMCAWXDRZJLFEJ-AITUJVMLSA-N 2 2 344.503 3.136 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)n1cc[nH+]c1 ZINC001111078117 1368153847 /nfs/dbraw/zinc/15/38/47/1368153847.db2.gz KMCAWXDRZJLFEJ-AITUJVMLSA-N 2 2 344.503 3.136 20 0 EGADLP CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242499 1368574395 /nfs/dbraw/zinc/57/43/95/1368574395.db2.gz KAYJYWBBGAWGPN-UEKDZROGSA-N 2 2 346.519 3.361 20 0 EGADLP CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001112428140 1368842533 /nfs/dbraw/zinc/84/25/33/1368842533.db2.gz BJMYMVHMAVKLAA-JXFKEZNVSA-N 2 2 340.471 3.051 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N2CCC23CCCC3)cc1 ZINC001198018520 1368943827 /nfs/dbraw/zinc/94/38/27/1368943827.db2.gz RZMNZENFXKQHJK-UHFFFAOYSA-N 2 2 343.515 3.229 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N2CCC23CCCC3)cc1 ZINC001198018520 1368943830 /nfs/dbraw/zinc/94/38/30/1368943830.db2.gz RZMNZENFXKQHJK-UHFFFAOYSA-N 2 2 343.515 3.229 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001200346673 1369351324 /nfs/dbraw/zinc/35/13/24/1369351324.db2.gz QJMWHXIUHIKEOY-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001200346673 1369351331 /nfs/dbraw/zinc/35/13/31/1369351331.db2.gz QJMWHXIUHIKEOY-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186747880 1388003513 /nfs/dbraw/zinc/00/35/13/1388003513.db2.gz LXHXKMGLSCUSDP-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCCC[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001113488649 1369463255 /nfs/dbraw/zinc/46/32/55/1369463255.db2.gz MQEPBZXRQWCQQK-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183045 1369491285 /nfs/dbraw/zinc/49/12/85/1369491285.db2.gz RXRLNFRJUQWQPU-WMZOPIPTSA-N 2 2 334.508 3.097 20 0 EGADLP c1cc(-c2ccc3c(C4C[NH+](CC5CCOCC5)C4)[nH+]cn3c2)co1 ZINC001202578872 1369811960 /nfs/dbraw/zinc/81/19/60/1369811960.db2.gz MQMYQSJYRADISQ-UHFFFAOYSA-N 2 2 337.423 3.420 20 0 EGADLP C[C@@H](CC(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001202693969 1369853576 /nfs/dbraw/zinc/85/35/76/1369853576.db2.gz GJGDCNQAMJDOEJ-INIZCTEOSA-N 2 2 334.508 3.241 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203078526 1369975405 /nfs/dbraw/zinc/97/54/05/1369975405.db2.gz MULFRDGFZNZZRQ-MSOLQXFVSA-N 2 2 338.455 3.160 20 0 EGADLP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C12CCC2 ZINC001203161132 1370005828 /nfs/dbraw/zinc/00/58/28/1370005828.db2.gz PEQKYZSOMCEUDD-DLBZAZTESA-N 2 2 340.471 3.011 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC001203858249 1370290826 /nfs/dbraw/zinc/29/08/26/1370290826.db2.gz HKWOKSTVOAMKKN-INIZCTEOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(OC)c1 ZINC001203858249 1370290830 /nfs/dbraw/zinc/29/08/30/1370290830.db2.gz HKWOKSTVOAMKKN-INIZCTEOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1O ZINC001203867729 1370294752 /nfs/dbraw/zinc/29/47/52/1370294752.db2.gz IUBLHSZAIVSDSE-HZPDHXFCSA-N 2 2 344.480 3.026 20 0 EGADLP Fc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001203914632 1370312990 /nfs/dbraw/zinc/31/29/90/1370312990.db2.gz HZTIKFSZFPIPAN-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001203914632 1370312992 /nfs/dbraw/zinc/31/29/92/1370312992.db2.gz HZTIKFSZFPIPAN-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203930610 1370319578 /nfs/dbraw/zinc/31/95/78/1370319578.db2.gz JLDGZUFHABJOOE-GOSISDBHSA-N 2 2 325.412 3.002 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001203930610 1370319583 /nfs/dbraw/zinc/31/95/83/1370319583.db2.gz JLDGZUFHABJOOE-GOSISDBHSA-N 2 2 325.412 3.002 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1cccnc1)CC2 ZINC001204074383 1370369320 /nfs/dbraw/zinc/36/93/20/1370369320.db2.gz LAGLHVAOOSTLGH-UHFFFAOYSA-N 2 2 340.471 3.317 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1cccnc1)CC2 ZINC001204074383 1370369324 /nfs/dbraw/zinc/36/93/24/1370369324.db2.gz LAGLHVAOOSTLGH-UHFFFAOYSA-N 2 2 340.471 3.317 20 0 EGADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C)c(Br)cn1 ZINC001204110853 1370379979 /nfs/dbraw/zinc/37/99/79/1370379979.db2.gz KGRJMTUDRVPBGF-ZDUSSCGKSA-N 2 2 328.298 3.363 20 0 EGADLP Fc1ccc(F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204217359 1370411336 /nfs/dbraw/zinc/41/13/36/1370411336.db2.gz MSZSXNBNQLXUGO-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204217359 1370411343 /nfs/dbraw/zinc/41/13/43/1370411343.db2.gz MSZSXNBNQLXUGO-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204217359 1370411346 /nfs/dbraw/zinc/41/13/46/1370411346.db2.gz MSZSXNBNQLXUGO-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP Fc1ccc(F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204217359 1370411348 /nfs/dbraw/zinc/41/13/48/1370411348.db2.gz MSZSXNBNQLXUGO-AEFFLSMTSA-N 2 2 343.421 3.314 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH2+]CCC2CCCC2)CCCCC1 ZINC001115510324 1370509638 /nfs/dbraw/zinc/50/96/38/1370509638.db2.gz PUVOWHDQHIATDM-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001204582916 1370523381 /nfs/dbraw/zinc/52/33/81/1370523381.db2.gz PUEIDQBYKNIXME-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001204582916 1370523385 /nfs/dbraw/zinc/52/33/85/1370523385.db2.gz PUEIDQBYKNIXME-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001204582916 1370523387 /nfs/dbraw/zinc/52/33/87/1370523387.db2.gz PUEIDQBYKNIXME-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1nn(C)cc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001204582916 1370523392 /nfs/dbraw/zinc/52/33/92/1370523392.db2.gz PUEIDQBYKNIXME-OAQYLSRUSA-N 2 2 338.499 3.217 20 0 EGADLP COCOc1cc(C)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)c1 ZINC001204611785 1370530018 /nfs/dbraw/zinc/53/00/18/1370530018.db2.gz CKSILWDYZKGWAW-LJQANCHMSA-N 2 2 340.467 3.486 20 0 EGADLP COCOc1cc(C)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(C)c1 ZINC001204611785 1370530020 /nfs/dbraw/zinc/53/00/20/1370530020.db2.gz CKSILWDYZKGWAW-LJQANCHMSA-N 2 2 340.467 3.486 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115566877 1370567621 /nfs/dbraw/zinc/56/76/21/1370567621.db2.gz CNYSMFMUNRKPEU-ARJAWSKDSA-N 2 2 332.492 3.107 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115566877 1370567625 /nfs/dbraw/zinc/56/76/25/1370567625.db2.gz CNYSMFMUNRKPEU-ARJAWSKDSA-N 2 2 332.492 3.107 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC001115567224 1370568100 /nfs/dbraw/zinc/56/81/00/1370568100.db2.gz VQGPFRSECOTXCJ-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC001115567224 1370568105 /nfs/dbraw/zinc/56/81/05/1370568105.db2.gz VQGPFRSECOTXCJ-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP CC(C)=CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCCCC1 ZINC001115591785 1370592254 /nfs/dbraw/zinc/59/22/54/1370592254.db2.gz DWMAVZPVLZJEIF-UHFFFAOYSA-N 2 2 346.519 3.302 20 0 EGADLP CC(C)(C)OC(=O)O[C@H]1CC[N@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001204863589 1370592679 /nfs/dbraw/zinc/59/26/79/1370592679.db2.gz LQFIKFWNDMENHC-INIZCTEOSA-N 2 2 326.481 3.325 20 0 EGADLP CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001204863589 1370592684 /nfs/dbraw/zinc/59/26/84/1370592684.db2.gz LQFIKFWNDMENHC-INIZCTEOSA-N 2 2 326.481 3.325 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3[C@@H](C)CC[C@H]3C[NH3+])o2)cc1 ZINC001205068338 1370642318 /nfs/dbraw/zinc/64/23/18/1370642318.db2.gz GPBJXTYDEZLKLC-YOEHRIQHSA-N 2 2 342.439 3.435 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3[C@@H](C)CC[C@H]3C[NH3+])o2)cc1 ZINC001205068338 1370642322 /nfs/dbraw/zinc/64/23/22/1370642322.db2.gz GPBJXTYDEZLKLC-YOEHRIQHSA-N 2 2 342.439 3.435 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124399 1370657854 /nfs/dbraw/zinc/65/78/54/1370657854.db2.gz PZUUBJVXMSNFKC-ZDUSSCGKSA-N 2 2 327.266 3.079 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124399 1370657856 /nfs/dbraw/zinc/65/78/56/1370657856.db2.gz PZUUBJVXMSNFKC-ZDUSSCGKSA-N 2 2 327.266 3.079 20 0 EGADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145685 1370663284 /nfs/dbraw/zinc/66/32/84/1370663284.db2.gz AMEFHQNYNNRGDE-GXTWGEPZSA-N 2 2 341.293 3.263 20 0 EGADLP CC(C)Oc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145685 1370663288 /nfs/dbraw/zinc/66/32/88/1370663288.db2.gz AMEFHQNYNNRGDE-GXTWGEPZSA-N 2 2 341.293 3.263 20 0 EGADLP C[C@H]1C[N@H+](Cc2nc3ccccc3cc2Br)C[C@H]1C[NH3+] ZINC001205151306 1370664291 /nfs/dbraw/zinc/66/42/91/1370664291.db2.gz RPOBQPBFSVSPDB-WCQYABFASA-N 2 2 334.261 3.024 20 0 EGADLP C[C@H]1C[N@@H+](Cc2nc3ccccc3cc2Br)C[C@H]1C[NH3+] ZINC001205151306 1370664296 /nfs/dbraw/zinc/66/42/96/1370664296.db2.gz RPOBQPBFSVSPDB-WCQYABFASA-N 2 2 334.261 3.024 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303274 1370714383 /nfs/dbraw/zinc/71/43/83/1370714383.db2.gz BWFNBLWZPSOAKU-MFKMUULPSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205303274 1370714385 /nfs/dbraw/zinc/71/43/85/1370714385.db2.gz BWFNBLWZPSOAKU-MFKMUULPSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Br)cc1F ZINC001205318125 1370720262 /nfs/dbraw/zinc/72/02/62/1370720262.db2.gz RWCGACYLIIBYCP-MFKMUULPSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Br)cc1F ZINC001205318125 1370720264 /nfs/dbraw/zinc/72/02/64/1370720264.db2.gz RWCGACYLIIBYCP-MFKMUULPSA-N 2 2 329.257 3.313 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790759 1370772971 /nfs/dbraw/zinc/77/29/71/1370772971.db2.gz ZJOQLJJFFQECGN-SNAWJCMRSA-N 2 2 332.492 3.107 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccc(F)cc3)s2)CCC1(F)F ZINC001205771211 1370864791 /nfs/dbraw/zinc/86/47/91/1370864791.db2.gz RZNQZKCDXKJXAH-GFCCVEGCSA-N 2 2 341.402 3.365 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(F)cc3)s2)CCC1(F)F ZINC001205771211 1370864796 /nfs/dbraw/zinc/86/47/96/1370864796.db2.gz RZNQZKCDXKJXAH-GFCCVEGCSA-N 2 2 341.402 3.365 20 0 EGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205780660 1370867803 /nfs/dbraw/zinc/86/78/03/1370867803.db2.gz ROIOTPZIKMCCAE-NSHDSACASA-N 2 2 338.320 3.130 20 0 EGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205780660 1370867806 /nfs/dbraw/zinc/86/78/06/1370867806.db2.gz ROIOTPZIKMCCAE-NSHDSACASA-N 2 2 338.320 3.130 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206209419 1370993617 /nfs/dbraw/zinc/99/36/17/1370993617.db2.gz FGUDLRGDWRRPAL-LSDHHAIUSA-N 2 2 334.357 3.365 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206209419 1370993622 /nfs/dbraw/zinc/99/36/22/1370993622.db2.gz FGUDLRGDWRRPAL-LSDHHAIUSA-N 2 2 334.357 3.365 20 0 EGADLP [NH3+]CCC1CC[NH+](Cc2cc(F)cc(Br)c2F)CC1 ZINC001206506637 1371076510 /nfs/dbraw/zinc/07/65/10/1371076510.db2.gz IXEZMXCRDJGJNB-UHFFFAOYSA-N 2 2 333.220 3.288 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Br)c1 ZINC001206556641 1371093008 /nfs/dbraw/zinc/09/30/08/1371093008.db2.gz UOBLDWCGJVCLEC-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Br)c1 ZINC001206556641 1371093011 /nfs/dbraw/zinc/09/30/11/1371093011.db2.gz UOBLDWCGJVCLEC-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP CSc1ncc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(NC2CCCC2)n1 ZINC001206615967 1371110029 /nfs/dbraw/zinc/11/00/29/1371110029.db2.gz LBBQUBSFDKCZRL-AWEZNQCLSA-N 2 2 349.548 3.114 20 0 EGADLP CSc1ncc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(NC2CCCC2)n1 ZINC001206615967 1371110034 /nfs/dbraw/zinc/11/00/34/1371110034.db2.gz LBBQUBSFDKCZRL-AWEZNQCLSA-N 2 2 349.548 3.114 20 0 EGADLP COc1ccc(N(C)c2ccc(C[NH+]3CC(C)(C[NH3+])C3)cc2)cc1 ZINC001206718209 1371144568 /nfs/dbraw/zinc/14/45/68/1371144568.db2.gz MBFFALQFKDHUHE-UHFFFAOYSA-N 2 2 325.456 3.244 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771784 1371160557 /nfs/dbraw/zinc/16/05/57/1371160557.db2.gz XQXYYUMVPLSLFX-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206771784 1371160560 /nfs/dbraw/zinc/16/05/60/1371160560.db2.gz XQXYYUMVPLSLFX-CHWSQXEVSA-N 2 2 341.293 3.407 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1OC ZINC001206810146 1371177167 /nfs/dbraw/zinc/17/71/67/1371177167.db2.gz NFNBCMMCWJGZIP-NEPJUHHUSA-N 2 2 346.393 3.282 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(C(F)(F)F)c1OC ZINC001206810146 1371177171 /nfs/dbraw/zinc/17/71/71/1371177171.db2.gz NFNBCMMCWJGZIP-NEPJUHHUSA-N 2 2 346.393 3.282 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872953 1371199027 /nfs/dbraw/zinc/19/90/27/1371199027.db2.gz ZOUFWUCLQWDOHZ-INIZCTEOSA-N 2 2 348.535 3.198 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC001118573464 1371200929 /nfs/dbraw/zinc/20/09/29/1371200929.db2.gz ZKJHSWUDWRBNIJ-HXUWFJFHSA-N 2 2 332.488 3.161 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCN(c2ccccc2C(F)(F)F)CC1 ZINC001207288481 1371351570 /nfs/dbraw/zinc/35/15/70/1371351570.db2.gz QDSSELSTQPETPA-UHFFFAOYSA-N 2 2 343.437 3.415 20 0 EGADLP CC1(C)C[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355079 1371371398 /nfs/dbraw/zinc/37/13/98/1371371398.db2.gz DRVLXXLZJBUFQW-ZCNNSNEGSA-N 2 2 343.515 3.041 20 0 EGADLP CC1(C)C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355079 1371371401 /nfs/dbraw/zinc/37/14/01/1371371401.db2.gz DRVLXXLZJBUFQW-ZCNNSNEGSA-N 2 2 343.515 3.041 20 0 EGADLP CC1(C)C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355079 1371371406 /nfs/dbraw/zinc/37/14/06/1371371406.db2.gz DRVLXXLZJBUFQW-ZCNNSNEGSA-N 2 2 343.515 3.041 20 0 EGADLP CC1(C)C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)CCO1 ZINC001207355079 1371371409 /nfs/dbraw/zinc/37/14/09/1371371409.db2.gz DRVLXXLZJBUFQW-ZCNNSNEGSA-N 2 2 343.515 3.041 20 0 EGADLP C[NH+]1CCC(CC[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001207488435 1371411943 /nfs/dbraw/zinc/41/19/43/1371411943.db2.gz LCYCJKVOESQYDL-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP C[NH+]1CCC(CC[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001207488435 1371411944 /nfs/dbraw/zinc/41/19/44/1371411944.db2.gz LCYCJKVOESQYDL-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP Fc1cccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207600633 1371448698 /nfs/dbraw/zinc/44/86/98/1371448698.db2.gz VYKWSGKNVHGMMT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207600633 1371448701 /nfs/dbraw/zinc/44/87/01/1371448701.db2.gz VYKWSGKNVHGMMT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207600633 1371448704 /nfs/dbraw/zinc/44/87/04/1371448704.db2.gz VYKWSGKNVHGMMT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207600633 1371448712 /nfs/dbraw/zinc/44/87/12/1371448712.db2.gz VYKWSGKNVHGMMT-BGYRXZFFSA-N 2 2 339.458 3.217 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@H+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726767 1371486877 /nfs/dbraw/zinc/48/68/77/1371486877.db2.gz ALEGHXAOCNATPV-HOTGVXAUSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726767 1371486880 /nfs/dbraw/zinc/48/68/80/1371486880.db2.gz ALEGHXAOCNATPV-HOTGVXAUSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@H+]2CC[C@H]3C[NH+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726767 1371486882 /nfs/dbraw/zinc/48/68/82/1371486882.db2.gz ALEGHXAOCNATPV-HOTGVXAUSA-N 2 2 337.558 3.183 20 0 EGADLP c1csc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCSCC4)CC[C@@H]32)n1 ZINC001207726767 1371486885 /nfs/dbraw/zinc/48/68/85/1371486885.db2.gz ALEGHXAOCNATPV-HOTGVXAUSA-N 2 2 337.558 3.183 20 0 EGADLP FC(F)(F)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC001120362607 1371547823 /nfs/dbraw/zinc/54/78/23/1371547823.db2.gz AVPWFXINSCZSTI-LQDVMPOASA-N 2 2 325.378 3.348 20 0 EGADLP FC(F)(F)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC001120362607 1371547829 /nfs/dbraw/zinc/54/78/29/1371547829.db2.gz AVPWFXINSCZSTI-LQDVMPOASA-N 2 2 325.378 3.348 20 0 EGADLP COC(C[N@H+](Cc1ccccc1)CC1(C[NH+](C)C)CCCC1)OC ZINC001208185206 1371625843 /nfs/dbraw/zinc/62/58/43/1371625843.db2.gz WXRZNDLMLVCPJP-UHFFFAOYSA-N 2 2 334.504 3.230 20 0 EGADLP COC(C[N@@H+](Cc1ccccc1)CC1(C[NH+](C)C)CCCC1)OC ZINC001208185206 1371625849 /nfs/dbraw/zinc/62/58/49/1371625849.db2.gz WXRZNDLMLVCPJP-UHFFFAOYSA-N 2 2 334.504 3.230 20 0 EGADLP CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386619 1371746964 /nfs/dbraw/zinc/74/69/64/1371746964.db2.gz GNUASOFFCAFRFW-QZTJIDSGSA-N 2 2 334.508 3.241 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208604787 1371838270 /nfs/dbraw/zinc/83/82/70/1371838270.db2.gz VNVFIGYJOAFLRV-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208604787 1371838272 /nfs/dbraw/zinc/83/82/72/1371838272.db2.gz VNVFIGYJOAFLRV-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604787 1371838277 /nfs/dbraw/zinc/83/82/77/1371838277.db2.gz VNVFIGYJOAFLRV-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208604787 1371838282 /nfs/dbraw/zinc/83/82/82/1371838282.db2.gz VNVFIGYJOAFLRV-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP CCC[C@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617855 1371843935 /nfs/dbraw/zinc/84/39/35/1371843935.db2.gz QBPSWGJGIPUBFP-SJORKVTESA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617855 1371843941 /nfs/dbraw/zinc/84/39/41/1371843941.db2.gz QBPSWGJGIPUBFP-SJORKVTESA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617855 1371843944 /nfs/dbraw/zinc/84/39/44/1371843944.db2.gz QBPSWGJGIPUBFP-SJORKVTESA-N 2 2 339.524 3.050 20 0 EGADLP CCC[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001208617855 1371843949 /nfs/dbraw/zinc/84/39/49/1371843949.db2.gz QBPSWGJGIPUBFP-SJORKVTESA-N 2 2 339.524 3.050 20 0 EGADLP COC(=O)[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001208632571 1371848708 /nfs/dbraw/zinc/84/87/08/1371848708.db2.gz UTGWPRBVKUSEKZ-SAABIXHNSA-N 2 2 341.455 3.284 20 0 EGADLP COC(=O)[C@H]1CC[C@H](C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001208632571 1371848709 /nfs/dbraw/zinc/84/87/09/1371848709.db2.gz UTGWPRBVKUSEKZ-SAABIXHNSA-N 2 2 341.455 3.284 20 0 EGADLP COc1ccccc1CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001208841600 1371914099 /nfs/dbraw/zinc/91/40/99/1371914099.db2.gz IPFDYFPZMUINQV-GOSISDBHSA-N 2 2 326.440 3.485 20 0 EGADLP COc1ccccc1CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001208841600 1371914103 /nfs/dbraw/zinc/91/41/03/1371914103.db2.gz IPFDYFPZMUINQV-GOSISDBHSA-N 2 2 326.440 3.485 20 0 EGADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892351 1371935361 /nfs/dbraw/zinc/93/53/61/1371935361.db2.gz OXHVHWYRHMFXKA-FRRDWIJNSA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892351 1371935366 /nfs/dbraw/zinc/93/53/66/1371935366.db2.gz OXHVHWYRHMFXKA-FRRDWIJNSA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892351 1371935369 /nfs/dbraw/zinc/93/53/69/1371935369.db2.gz OXHVHWYRHMFXKA-FRRDWIJNSA-N 2 2 333.423 3.238 20 0 EGADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1)C(F)(F)F ZINC001208892351 1371935400 /nfs/dbraw/zinc/93/54/00/1371935400.db2.gz OXHVHWYRHMFXKA-FRRDWIJNSA-N 2 2 333.423 3.238 20 0 EGADLP O=C1CC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944289 1371956708 /nfs/dbraw/zinc/95/67/08/1371956708.db2.gz PCTYKBDDXQDVBY-CTNGQTDRSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)O1 ZINC001208944289 1371956717 /nfs/dbraw/zinc/95/67/17/1371956717.db2.gz PCTYKBDDXQDVBY-CTNGQTDRSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944289 1371956720 /nfs/dbraw/zinc/95/67/20/1371956720.db2.gz PCTYKBDDXQDVBY-CTNGQTDRSA-N 2 2 342.483 3.070 20 0 EGADLP O=C1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)O1 ZINC001208944289 1371956727 /nfs/dbraw/zinc/95/67/27/1371956727.db2.gz PCTYKBDDXQDVBY-CTNGQTDRSA-N 2 2 342.483 3.070 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208959518 1371962558 /nfs/dbraw/zinc/96/25/58/1371962558.db2.gz RVBNMWJXVIXVIT-WDSOQIARSA-N 2 2 332.488 3.028 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208959518 1371962562 /nfs/dbraw/zinc/96/25/62/1371962562.db2.gz RVBNMWJXVIXVIT-WDSOQIARSA-N 2 2 332.488 3.028 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208959518 1371962563 /nfs/dbraw/zinc/96/25/63/1371962563.db2.gz RVBNMWJXVIXVIT-WDSOQIARSA-N 2 2 332.488 3.028 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208959518 1371962568 /nfs/dbraw/zinc/96/25/68/1371962568.db2.gz RVBNMWJXVIXVIT-WDSOQIARSA-N 2 2 332.488 3.028 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1F ZINC001209244410 1372048405 /nfs/dbraw/zinc/04/84/05/1372048405.db2.gz TWJCAAIKWUUUAE-UHFFFAOYSA-N 2 2 326.406 3.406 20 0 EGADLP COC1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)CC1 ZINC001209390880 1372088812 /nfs/dbraw/zinc/08/88/12/1372088812.db2.gz FIOLAIADBFSJAL-FPGXKEGCSA-N 2 2 343.515 3.041 20 0 EGADLP COC1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)CC1 ZINC001209390880 1372088815 /nfs/dbraw/zinc/08/88/15/1372088815.db2.gz FIOLAIADBFSJAL-FPGXKEGCSA-N 2 2 343.515 3.041 20 0 EGADLP COC1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)CC1 ZINC001209390880 1372088820 /nfs/dbraw/zinc/08/88/20/1372088820.db2.gz FIOLAIADBFSJAL-FPGXKEGCSA-N 2 2 343.515 3.041 20 0 EGADLP COC1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)CC1 ZINC001209390880 1372088824 /nfs/dbraw/zinc/08/88/24/1372088824.db2.gz FIOLAIADBFSJAL-FPGXKEGCSA-N 2 2 343.515 3.041 20 0 EGADLP FC1(F)CN(CCC[NH+]2CCCCC2)CC[C@H]1[NH+]1CCCCC1 ZINC001209455108 1372110069 /nfs/dbraw/zinc/11/00/69/1372110069.db2.gz YLSSMEZGDCHBHZ-QGZVFWFLSA-N 2 2 329.479 3.058 20 0 EGADLP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121895689 1372117142 /nfs/dbraw/zinc/11/71/42/1372117142.db2.gz GZRXSMJWLNDINP-MPCBAHKLSA-N 2 2 346.519 3.042 20 0 EGADLP CCC(CC)C[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121895689 1372117143 /nfs/dbraw/zinc/11/71/43/1372117143.db2.gz GZRXSMJWLNDINP-MPCBAHKLSA-N 2 2 346.519 3.042 20 0 EGADLP Cc1ccc2[nH]cc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)c2c1 ZINC001209492321 1372120283 /nfs/dbraw/zinc/12/02/83/1372120283.db2.gz IGRMNMGGYIHZNR-UHFFFAOYSA-N 2 2 326.444 3.106 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cc3c(cn2)OCCC3)C2CCCC2)CC1 ZINC001209506698 1372123224 /nfs/dbraw/zinc/12/32/24/1372123224.db2.gz UPRWDDHIDVMYFS-UHFFFAOYSA-N 2 2 329.488 3.245 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cc3c(cn2)OCCC3)C2CCCC2)CC1 ZINC001209506698 1372123226 /nfs/dbraw/zinc/12/32/26/1372123226.db2.gz UPRWDDHIDVMYFS-UHFFFAOYSA-N 2 2 329.488 3.245 20 0 EGADLP COc1cc(CN2CC[NH2+]C[C@H]2c2ccccc2)ccc1-n1cc[nH+]c1 ZINC001210227776 1372299443 /nfs/dbraw/zinc/29/94/43/1372299443.db2.gz QLHZSNARHCFNQR-FQEVSTJZSA-N 2 2 348.450 3.027 20 0 EGADLP COc1cccc(CC[NH+]2CCCC2)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210288824 1372315421 /nfs/dbraw/zinc/31/54/21/1372315421.db2.gz WQJNLRKIIJBVET-UHFFFAOYSA-N 2 2 326.444 3.363 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001326566747 1388242393 /nfs/dbraw/zinc/24/23/93/1388242393.db2.gz OVCLMGWKJBKOJG-WGSAOQKQSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC/C=C\c3ccccc3)ccn12 ZINC001127292960 1373113111 /nfs/dbraw/zinc/11/31/11/1373113111.db2.gz PMOXKMMPLKREHM-UITAMQMPSA-N 2 2 348.450 3.066 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917393 1373141830 /nfs/dbraw/zinc/14/18/30/1373141830.db2.gz YTQYEGSYQZYPHL-GUDVDZBRSA-N 2 2 348.535 3.343 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190234 1373184884 /nfs/dbraw/zinc/18/48/84/1373184884.db2.gz RGFJPJWCMDOWQU-FKUVRRMFSA-N 2 2 329.488 3.413 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1)n1cc[nH+]c1 ZINC001130006309 1373445160 /nfs/dbraw/zinc/44/51/60/1373445160.db2.gz BTHBUXDFRZPATF-QAPCUYQASA-N 2 2 346.450 3.076 20 0 EGADLP [NH3+][C@@H](CC(=O)Nc1cc[nH+]c2c1CCC2)Cc1cccc2ccccc21 ZINC001218622251 1373637400 /nfs/dbraw/zinc/63/74/00/1373637400.db2.gz YLYWSUKAAIJWRE-QGZVFWFLSA-N 2 2 345.446 3.044 20 0 EGADLP [NH3+][C@@H](CCCc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218811751 1373656778 /nfs/dbraw/zinc/65/67/78/1373656778.db2.gz JHJOJJUKNSYWOR-IBGZPJMESA-N 2 2 334.423 3.161 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(Cl)cc3[nH]ccc32)cc1 ZINC001218992830 1373675655 /nfs/dbraw/zinc/67/56/55/1373675655.db2.gz RHHMSTWPFNSISO-CQSZACIVSA-N 2 2 328.803 3.032 20 0 EGADLP CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1O ZINC001219076334 1373685766 /nfs/dbraw/zinc/68/57/66/1373685766.db2.gz IIHKGCIGOVBOIE-UHFFFAOYSA-N 2 2 347.503 3.007 20 0 EGADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001222092170 1373816189 /nfs/dbraw/zinc/81/61/89/1373816189.db2.gz KQFJHOCOXUXQHG-HKUYNNGSSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001222092172 1373816435 /nfs/dbraw/zinc/81/64/35/1373816435.db2.gz KQFJHOCOXUXQHG-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286581 1388283378 /nfs/dbraw/zinc/28/33/78/1388283378.db2.gz WTHALLSYMHJEGF-IPMKNSEASA-N 2 2 346.519 3.193 20 0 EGADLP CCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001188286581 1388283382 /nfs/dbraw/zinc/28/33/82/1388283382.db2.gz WTHALLSYMHJEGF-IPMKNSEASA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132026047 1375105383 /nfs/dbraw/zinc/10/53/83/1375105383.db2.gz YTQQFQJOWAVCMM-HZPDHXFCSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132026047 1375105385 /nfs/dbraw/zinc/10/53/85/1375105385.db2.gz YTQQFQJOWAVCMM-HZPDHXFCSA-N 2 2 334.508 3.138 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025582 1375105740 /nfs/dbraw/zinc/10/57/40/1375105740.db2.gz RLKWPGCTLHEISQ-LZCSOBMZSA-N 2 2 332.492 3.058 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025582 1375105742 /nfs/dbraw/zinc/10/57/42/1375105742.db2.gz RLKWPGCTLHEISQ-LZCSOBMZSA-N 2 2 332.492 3.058 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091189 1375141582 /nfs/dbraw/zinc/14/15/82/1375141582.db2.gz TZMJALJWODIITM-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132091189 1375141588 /nfs/dbraw/zinc/14/15/88/1375141588.db2.gz TZMJALJWODIITM-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CC1CCCCCC1 ZINC001132091189 1375141591 /nfs/dbraw/zinc/14/15/91/1375141591.db2.gz TZMJALJWODIITM-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CC1CCCCCC1 ZINC001132091189 1375141595 /nfs/dbraw/zinc/14/15/95/1375141595.db2.gz TZMJALJWODIITM-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP CCCCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132133063 1375164009 /nfs/dbraw/zinc/16/40/09/1375164009.db2.gz XLXJSRMDESUDJQ-GDBMZVCRSA-N 2 2 328.460 3.336 20 0 EGADLP CCCCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132133063 1375164012 /nfs/dbraw/zinc/16/40/12/1375164012.db2.gz XLXJSRMDESUDJQ-GDBMZVCRSA-N 2 2 328.460 3.336 20 0 EGADLP CC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226250218 1375226733 /nfs/dbraw/zinc/22/67/33/1375226733.db2.gz AISSHFGNHZGIPZ-BMGDILEWSA-N 2 2 342.487 3.319 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226686735 1375308937 /nfs/dbraw/zinc/30/89/37/1375308937.db2.gz IZLNIIXZXANBTP-UBZMYNMCSA-N 2 2 332.492 3.106 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226686735 1375308941 /nfs/dbraw/zinc/30/89/41/1375308941.db2.gz IZLNIIXZXANBTP-UBZMYNMCSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132456786 1375398704 /nfs/dbraw/zinc/39/87/04/1375398704.db2.gz HYPPWPMQQBXUEW-SJORKVTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCCC(C)(C)C ZINC001132456786 1375398708 /nfs/dbraw/zinc/39/87/08/1375398708.db2.gz HYPPWPMQQBXUEW-SJORKVTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC1CCC1 ZINC001132545546 1375452671 /nfs/dbraw/zinc/45/26/71/1375452671.db2.gz CGFKYSOOFKRWEP-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC1CCC1 ZINC001132545546 1375452675 /nfs/dbraw/zinc/45/26/75/1375452675.db2.gz CGFKYSOOFKRWEP-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1C ZINC001132919319 1375643720 /nfs/dbraw/zinc/64/37/20/1375643720.db2.gz IIZWKZWTAQAFPU-DOTOQJQBSA-N 2 2 340.471 3.217 20 0 EGADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001133021960 1375718343 /nfs/dbraw/zinc/71/83/43/1375718343.db2.gz XDACEIHTHCAADZ-ZWKOTPCHSA-N 2 2 348.535 3.174 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001229046101 1375750893 /nfs/dbraw/zinc/75/08/93/1375750893.db2.gz JFZLLQSMODQSQO-ATZDWAIDSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001229046101 1375750897 /nfs/dbraw/zinc/75/08/97/1375750897.db2.gz JFZLLQSMODQSQO-ATZDWAIDSA-N 2 2 346.519 3.186 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001230431597 1376029993 /nfs/dbraw/zinc/02/99/93/1376029993.db2.gz OAZPENHWOVHRGK-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP Brc1[nH]c2ccccc2c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001232144088 1376408673 /nfs/dbraw/zinc/40/86/73/1376408673.db2.gz KLHCQXOZYPTCMR-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP Brc1[nH]c2ccccc2c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001232144088 1376408679 /nfs/dbraw/zinc/40/86/79/1376408679.db2.gz KLHCQXOZYPTCMR-UHFFFAOYSA-N 2 2 345.244 3.185 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC001232146045 1376409323 /nfs/dbraw/zinc/40/93/23/1376409323.db2.gz HHEMZIPMZKQESR-UHFFFAOYSA-N 2 2 346.368 3.231 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134228118 1376424023 /nfs/dbraw/zinc/42/40/23/1376424023.db2.gz LQTPPBZQQSNXKG-HOTGVXAUSA-N 2 2 334.508 3.186 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5ncoc5c4)C[C@H]3C2)c1 ZINC001232941252 1376542071 /nfs/dbraw/zinc/54/20/71/1376542071.db2.gz VRGYDSYLYVYQMV-HOTGVXAUSA-N 2 2 339.464 3.453 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cnc1C ZINC001233158463 1376576690 /nfs/dbraw/zinc/57/66/90/1376576690.db2.gz IKHMJJWSSRMAFH-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cnc1C ZINC001233158463 1376576693 /nfs/dbraw/zinc/57/66/93/1376576693.db2.gz IKHMJJWSSRMAFH-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545035 1376584382 /nfs/dbraw/zinc/58/43/82/1376584382.db2.gz KRHXIVREPBACLD-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545035 1376584387 /nfs/dbraw/zinc/58/43/87/1376584387.db2.gz KRHXIVREPBACLD-DLBZAZTESA-N 2 2 342.487 3.032 20 0 EGADLP CCOC(=O)c1ccnc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001233327826 1376616829 /nfs/dbraw/zinc/61/68/29/1376616829.db2.gz KMHHBZFDVXMXKB-UHFFFAOYSA-N 2 2 345.487 3.097 20 0 EGADLP CCOC(=O)c1ccnc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001233327826 1376616832 /nfs/dbraw/zinc/61/68/32/1376616832.db2.gz KMHHBZFDVXMXKB-UHFFFAOYSA-N 2 2 345.487 3.097 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001134732868 1376684049 /nfs/dbraw/zinc/68/40/49/1376684049.db2.gz PKCJWUYAKLZCLQ-CVEARBPZSA-N 2 2 347.503 3.086 20 0 EGADLP CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001134733416 1376684779 /nfs/dbraw/zinc/68/47/79/1376684779.db2.gz ZIGYUEMXSBGGDD-CVEARBPZSA-N 2 2 335.492 3.086 20 0 EGADLP CCC(CC)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970858 1376819461 /nfs/dbraw/zinc/81/94/61/1376819461.db2.gz STCOAIRIDHBIIJ-HUUCEWRRSA-N 2 2 330.476 3.257 20 0 EGADLP FC(F)(F)c1ccc(CCC[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113794 1376846768 /nfs/dbraw/zinc/84/67/68/1376846768.db2.gz FZUWVGAZUOYBRD-KRWDZBQOSA-N 2 2 342.405 3.092 20 0 EGADLP FC(F)(F)c1ccc(CCC[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113794 1376846773 /nfs/dbraw/zinc/84/67/73/1376846773.db2.gz FZUWVGAZUOYBRD-KRWDZBQOSA-N 2 2 342.405 3.092 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1-c1ccccc1 ZINC001235115695 1376847527 /nfs/dbraw/zinc/84/75/27/1376847527.db2.gz GUFWOYSHARKWAC-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1-c1ccccc1 ZINC001235115695 1376847533 /nfs/dbraw/zinc/84/75/33/1376847533.db2.gz GUFWOYSHARKWAC-OAQYLSRUSA-N 2 2 340.442 3.447 20 0 EGADLP c1cc(-c2csc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235115189 1376848504 /nfs/dbraw/zinc/84/85/04/1376848504.db2.gz FNELHOZINONTTP-QGZVFWFLSA-N 2 2 334.510 3.431 20 0 EGADLP c1cc(-c2csc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)c2)cs1 ZINC001235115189 1376848507 /nfs/dbraw/zinc/84/85/07/1376848507.db2.gz FNELHOZINONTTP-QGZVFWFLSA-N 2 2 334.510 3.431 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001135080126 1376883705 /nfs/dbraw/zinc/88/37/05/1376883705.db2.gz LDOHXDWRZPMWKK-DYVFJYSZSA-N 2 2 348.878 3.099 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001135080126 1376883707 /nfs/dbraw/zinc/88/37/07/1376883707.db2.gz LDOHXDWRZPMWKK-DYVFJYSZSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@H]([NH3+])C[NH+]1CCC(n2c3ccccc3nc2C(F)(F)F)CC1 ZINC001235783079 1376894579 /nfs/dbraw/zinc/89/45/79/1376894579.db2.gz ZZRHBSQXZSUZML-NSHDSACASA-N 2 2 326.366 3.039 20 0 EGADLP COc1ccc(C[NH+]2CCC[NH2+]CCC2)cc1OCc1ccccc1 ZINC001236240302 1376944193 /nfs/dbraw/zinc/94/41/93/1376944193.db2.gz OFRTVIUNBJUPHZ-UHFFFAOYSA-N 2 2 340.467 3.460 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001237058574 1376974160 /nfs/dbraw/zinc/97/41/60/1376974160.db2.gz QLPDLGZXNDZCSH-MRXNPFEDSA-N 2 2 336.277 3.491 20 0 EGADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001237058574 1376974162 /nfs/dbraw/zinc/97/41/62/1376974162.db2.gz QLPDLGZXNDZCSH-MRXNPFEDSA-N 2 2 336.277 3.491 20 0 EGADLP CC(C)Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC001238443307 1376998543 /nfs/dbraw/zinc/99/85/43/1376998543.db2.gz BSDVKKLCLUMGJL-UHFFFAOYSA-N 2 2 329.419 3.330 20 0 EGADLP C[C@@H]1CC[C@@H](NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)C[NH2+]1 ZINC001246297001 1377051207 /nfs/dbraw/zinc/05/12/07/1377051207.db2.gz UBUKVBSOEPXSIT-AXAPSJFSSA-N 2 2 330.303 3.326 20 0 EGADLP Clc1ccccc1CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246380949 1377051720 /nfs/dbraw/zinc/05/17/20/1377051720.db2.gz KYVSCVPVQBHFPY-BCDXTJNWSA-N 3 2 347.934 3.267 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2C[NH2+][C@@H](C)C2)CC3)cc1 ZINC001246716342 1377053655 /nfs/dbraw/zinc/05/36/55/1377053655.db2.gz UNOFRFYRPZVBGX-PZJWPPBQSA-N 3 2 341.543 3.423 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001136329714 1377377626 /nfs/dbraw/zinc/37/76/26/1377377626.db2.gz LZZLQYFTVUJQRH-CQSZACIVSA-N 2 2 330.407 3.072 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001136329714 1377377633 /nfs/dbraw/zinc/37/76/33/1377377633.db2.gz LZZLQYFTVUJQRH-CQSZACIVSA-N 2 2 330.407 3.072 20 0 EGADLP COc1ncc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC001137000640 1377454441 /nfs/dbraw/zinc/45/44/41/1377454441.db2.gz ZQVNFKFNLHCWHM-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP COc1ncc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC001137000640 1377454444 /nfs/dbraw/zinc/45/44/44/1377454444.db2.gz ZQVNFKFNLHCWHM-UHFFFAOYSA-N 2 2 339.483 3.495 20 0 EGADLP c1nc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001137046888 1377465612 /nfs/dbraw/zinc/46/56/12/1377465612.db2.gz QKZPHHJHXBWFPJ-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP c1nc2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc2[nH]1 ZINC001137046888 1377465614 /nfs/dbraw/zinc/46/56/14/1377465614.db2.gz QKZPHHJHXBWFPJ-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127773 1377483064 /nfs/dbraw/zinc/48/30/64/1377483064.db2.gz MOYITSZMIHFNSL-JCGIZDLHSA-N 2 2 330.501 3.204 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127773 1377483065 /nfs/dbraw/zinc/48/30/65/1377483065.db2.gz MOYITSZMIHFNSL-JCGIZDLHSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127773 1377483067 /nfs/dbraw/zinc/48/30/67/1377483067.db2.gz MOYITSZMIHFNSL-JCGIZDLHSA-N 2 2 330.501 3.204 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc[nH]n3)C[C@@H]21 ZINC001137127773 1377483068 /nfs/dbraw/zinc/48/30/68/1377483068.db2.gz MOYITSZMIHFNSL-JCGIZDLHSA-N 2 2 330.501 3.204 20 0 EGADLP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5cccnc54)C[C@@H]3C2)nc1 ZINC001137175120 1377490714 /nfs/dbraw/zinc/49/07/14/1377490714.db2.gz RDYVYMUVKMAPBB-WOJBJXKFSA-N 2 2 344.462 3.194 20 0 EGADLP O=c1[nH]c2ccccc2cc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001137181442 1377492552 /nfs/dbraw/zinc/49/25/52/1377492552.db2.gz LQXLYDHTJZESHK-UHFFFAOYSA-N 2 2 335.407 3.379 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535351 1377562329 /nfs/dbraw/zinc/56/23/29/1377562329.db2.gz JEVSSFAXINLCKJ-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535351 1377562331 /nfs/dbraw/zinc/56/23/31/1377562331.db2.gz JEVSSFAXINLCKJ-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535351 1377562333 /nfs/dbraw/zinc/56/23/33/1377562333.db2.gz JEVSSFAXINLCKJ-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001137535351 1377562334 /nfs/dbraw/zinc/56/23/34/1377562334.db2.gz JEVSSFAXINLCKJ-MOPGFXCFSA-N 2 2 337.467 3.044 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001138097081 1377676378 /nfs/dbraw/zinc/67/63/78/1377676378.db2.gz HFLDKQUWZHTHEC-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001138097081 1377676379 /nfs/dbraw/zinc/67/63/79/1377676379.db2.gz HFLDKQUWZHTHEC-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001138097081 1377676380 /nfs/dbraw/zinc/67/63/80/1377676380.db2.gz HFLDKQUWZHTHEC-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP CCOc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001138097081 1377676381 /nfs/dbraw/zinc/67/63/81/1377676381.db2.gz HFLDKQUWZHTHEC-OAQYLSRUSA-N 2 2 346.515 3.408 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)cc[nH+]1 ZINC001138246715 1377693729 /nfs/dbraw/zinc/69/37/29/1377693729.db2.gz UUJKLJMCJWRMAE-UHFFFAOYSA-N 2 2 345.830 3.094 20 0 EGADLP Cc1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001138398160 1377717135 /nfs/dbraw/zinc/71/71/35/1377717135.db2.gz PDKQKPCHIRWBSZ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1c2ccccc2[nH]c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001138398160 1377717137 /nfs/dbraw/zinc/71/71/37/1377717137.db2.gz PDKQKPCHIRWBSZ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001138398160 1377717138 /nfs/dbraw/zinc/71/71/38/1377717138.db2.gz PDKQKPCHIRWBSZ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1c2ccccc2[nH]c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001138398160 1377717139 /nfs/dbraw/zinc/71/71/39/1377717139.db2.gz PDKQKPCHIRWBSZ-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP COc1c(C)cc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)cc1C ZINC001138430281 1377723044 /nfs/dbraw/zinc/72/30/44/1377723044.db2.gz UPBRNMLXBDYDDZ-UHFFFAOYSA-N 2 2 346.515 3.387 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cnc4[nH]ccc4c3Cl)CC2)cc[nH+]1 ZINC001138934622 1377805179 /nfs/dbraw/zinc/80/51/79/1377805179.db2.gz HXFROZHBJYBNCM-UHFFFAOYSA-N 2 2 341.846 3.194 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001139361608 1377874295 /nfs/dbraw/zinc/87/42/95/1377874295.db2.gz MSYRWJJSFDEKTL-MRXNPFEDSA-N 2 2 326.444 3.090 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001139361608 1377874296 /nfs/dbraw/zinc/87/42/96/1377874296.db2.gz MSYRWJJSFDEKTL-MRXNPFEDSA-N 2 2 326.444 3.090 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360675 1377874392 /nfs/dbraw/zinc/87/43/92/1377874392.db2.gz CKMVXYSCRZCSER-IBGZPJMESA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139360675 1377874393 /nfs/dbraw/zinc/87/43/93/1377874393.db2.gz CKMVXYSCRZCSER-IBGZPJMESA-N 2 2 327.428 3.038 20 0 EGADLP Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139363595 1377874809 /nfs/dbraw/zinc/87/48/09/1377874809.db2.gz HDSVKSKDIQRGEX-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC001139363595 1377874810 /nfs/dbraw/zinc/87/48/10/1377874810.db2.gz HDSVKSKDIQRGEX-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP c1cc(C[NH+]2C3CCCC2CCC3)cc(OCC[NH+]2CCOCC2)c1 ZINC001139765625 1377948329 /nfs/dbraw/zinc/94/83/29/1377948329.db2.gz BJURQSSBTDQATH-UHFFFAOYSA-N 2 2 344.499 3.305 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140025516 1377991728 /nfs/dbraw/zinc/99/17/28/1377991728.db2.gz CFHCUFQUMWLPFR-FQEVSTJZSA-N 2 2 341.455 3.346 20 0 EGADLP CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140025516 1377991729 /nfs/dbraw/zinc/99/17/29/1377991729.db2.gz CFHCUFQUMWLPFR-FQEVSTJZSA-N 2 2 341.455 3.346 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001140027551 1377992970 /nfs/dbraw/zinc/99/29/70/1377992970.db2.gz PUXWRCCIZRLKTO-GOSISDBHSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001140027551 1377992974 /nfs/dbraw/zinc/99/29/74/1377992974.db2.gz PUXWRCCIZRLKTO-GOSISDBHSA-N 2 2 349.438 3.014 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140099208 1378007686 /nfs/dbraw/zinc/00/76/86/1378007686.db2.gz XPOPENMGHHTNMY-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140099208 1378007688 /nfs/dbraw/zinc/00/76/88/1378007688.db2.gz XPOPENMGHHTNMY-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140099208 1378007690 /nfs/dbraw/zinc/00/76/90/1378007690.db2.gz XPOPENMGHHTNMY-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnc(-c4ccc(F)cc4)s3)C[C@@H]2C1 ZINC001140099208 1378007692 /nfs/dbraw/zinc/00/76/92/1378007692.db2.gz XPOPENMGHHTNMY-GASCZTMLSA-N 2 2 331.460 3.333 20 0 EGADLP C[N@@H+](Cc1ccc(O)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140128340 1378014504 /nfs/dbraw/zinc/01/45/04/1378014504.db2.gz LYQXIROZWQTCCA-QGZVFWFLSA-N 2 2 328.431 3.485 20 0 EGADLP C[N@H+](Cc1ccc(O)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140128340 1378014506 /nfs/dbraw/zinc/01/45/06/1378014506.db2.gz LYQXIROZWQTCCA-QGZVFWFLSA-N 2 2 328.431 3.485 20 0 EGADLP C[NH+](Cc1ccc(O)cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140128340 1378014508 /nfs/dbraw/zinc/01/45/08/1378014508.db2.gz LYQXIROZWQTCCA-QGZVFWFLSA-N 2 2 328.431 3.485 20 0 EGADLP C[NH+](Cc1ccc(O)cc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140128340 1378014512 /nfs/dbraw/zinc/01/45/12/1378014512.db2.gz LYQXIROZWQTCCA-QGZVFWFLSA-N 2 2 328.431 3.485 20 0 EGADLP CC[N@H+](Cc1cnc(-c2cccc(OC)c2)nc1)C1CC[NH+](C)CC1 ZINC001140194504 1378030179 /nfs/dbraw/zinc/03/01/79/1378030179.db2.gz FKBSNJZEZVOWRP-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP CC[N@@H+](Cc1cnc(-c2cccc(OC)c2)nc1)C1CC[NH+](C)CC1 ZINC001140194504 1378030180 /nfs/dbraw/zinc/03/01/80/1378030180.db2.gz FKBSNJZEZVOWRP-UHFFFAOYSA-N 2 2 340.471 3.068 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(Br)c(F)c3)C2)CC1 ZINC001140213249 1378033173 /nfs/dbraw/zinc/03/31/73/1378033173.db2.gz YXCRRCKZKUZQNK-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)nc3)C[C@H]2C1 ZINC001140403488 1378057391 /nfs/dbraw/zinc/05/73/91/1378057391.db2.gz IJIJAGDUGMNQMM-IAGOWNOFSA-N 2 2 340.446 3.056 20 0 EGADLP Clc1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)nn1 ZINC001140413644 1378059288 /nfs/dbraw/zinc/05/92/88/1378059288.db2.gz GLNPZHXZSUZCQB-UHFFFAOYSA-N 2 2 342.874 3.467 20 0 EGADLP CC[N@H+](Cc1ccc(OC)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001140490618 1378072215 /nfs/dbraw/zinc/07/22/15/1378072215.db2.gz WRKQIQPTNSGSJQ-UHFFFAOYSA-N 2 2 332.488 3.400 20 0 EGADLP CC[N@@H+](Cc1ccc(OC)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001140490618 1378072217 /nfs/dbraw/zinc/07/22/17/1378072217.db2.gz WRKQIQPTNSGSJQ-UHFFFAOYSA-N 2 2 332.488 3.400 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5ccncc54)C[C@H]3C2)c1 ZINC001140641291 1378103819 /nfs/dbraw/zinc/10/38/19/1378103819.db2.gz GJOVHYVUSSDCCZ-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC001140676595 1378111640 /nfs/dbraw/zinc/11/16/40/1378111640.db2.gz BHHOSBKBKRLRCI-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC001140676595 1378111641 /nfs/dbraw/zinc/11/16/41/1378111641.db2.gz BHHOSBKBKRLRCI-IBGZPJMESA-N 2 2 332.488 3.079 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001140676589 1378111787 /nfs/dbraw/zinc/11/17/87/1378111787.db2.gz AYPGVBWMRPZTCF-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(C)c1 ZINC001140676589 1378111788 /nfs/dbraw/zinc/11/17/88/1378111788.db2.gz AYPGVBWMRPZTCF-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP CC(C)[N@H+](Cc1cc(Br)ccn1)C1CC[NH+](C)CC1 ZINC001140769509 1378133192 /nfs/dbraw/zinc/13/31/92/1378133192.db2.gz JYPVVSOUQZYQKQ-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[N@@H+](Cc1cc(Br)ccn1)C1CC[NH+](C)CC1 ZINC001140769509 1378133193 /nfs/dbraw/zinc/13/31/93/1378133193.db2.gz JYPVVSOUQZYQKQ-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1F ZINC001140807092 1378146641 /nfs/dbraw/zinc/14/66/41/1378146641.db2.gz LKKJKKMTGSACPY-GDBMZVCRSA-N 2 2 348.422 3.000 20 0 EGADLP Cc1csc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776835 1378187345 /nfs/dbraw/zinc/18/73/45/1378187345.db2.gz CWOYTZMMBCBGDY-SFHVURJKSA-N 2 2 330.501 3.268 20 0 EGADLP Cc1csc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776835 1378187351 /nfs/dbraw/zinc/18/73/51/1378187351.db2.gz CWOYTZMMBCBGDY-SFHVURJKSA-N 2 2 330.501 3.268 20 0 EGADLP Cc1csc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776835 1378187356 /nfs/dbraw/zinc/18/73/56/1378187356.db2.gz CWOYTZMMBCBGDY-SFHVURJKSA-N 2 2 330.501 3.268 20 0 EGADLP Cc1csc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001276776835 1378187362 /nfs/dbraw/zinc/18/73/62/1378187362.db2.gz CWOYTZMMBCBGDY-SFHVURJKSA-N 2 2 330.501 3.268 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906317 1378250870 /nfs/dbraw/zinc/25/08/70/1378250870.db2.gz YAFRNYGFEFZQGA-VQTJNVASSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](CCNC(C)=O)C2 ZINC001277906317 1378250874 /nfs/dbraw/zinc/25/08/74/1378250874.db2.gz YAFRNYGFEFZQGA-VQTJNVASSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](CCNC(C)=O)C2 ZINC001277906317 1378250880 /nfs/dbraw/zinc/25/08/80/1378250880.db2.gz YAFRNYGFEFZQGA-VQTJNVASSA-N 2 2 337.552 3.127 20 0 EGADLP CCCC[C@H](CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCNC(C)=O)C2 ZINC001277906317 1378250881 /nfs/dbraw/zinc/25/08/81/1378250881.db2.gz YAFRNYGFEFZQGA-VQTJNVASSA-N 2 2 337.552 3.127 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(O)c1OC ZINC001141171762 1378259024 /nfs/dbraw/zinc/25/90/24/1378259024.db2.gz GTRGWGBVEMOQBJ-KRWDZBQOSA-N 2 2 348.487 3.250 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(O)c1OC ZINC001141171762 1378259027 /nfs/dbraw/zinc/25/90/27/1378259027.db2.gz GTRGWGBVEMOQBJ-KRWDZBQOSA-N 2 2 348.487 3.250 20 0 EGADLP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001141242108 1378281701 /nfs/dbraw/zinc/28/17/01/1378281701.db2.gz PNVHOGZJVOPIGF-UHFFFAOYSA-N 3 2 326.488 3.425 20 0 EGADLP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001141242108 1378281706 /nfs/dbraw/zinc/28/17/06/1378281706.db2.gz PNVHOGZJVOPIGF-UHFFFAOYSA-N 3 2 326.488 3.425 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142980665 1378521365 /nfs/dbraw/zinc/52/13/65/1378521365.db2.gz JBMBOMBNVQEUCX-IYBDPMFKSA-N 2 2 342.874 3.181 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142980665 1378521372 /nfs/dbraw/zinc/52/13/72/1378521372.db2.gz JBMBOMBNVQEUCX-IYBDPMFKSA-N 2 2 342.874 3.181 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142980665 1378521375 /nfs/dbraw/zinc/52/13/75/1378521375.db2.gz JBMBOMBNVQEUCX-IYBDPMFKSA-N 2 2 342.874 3.181 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3nccnc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC001142980665 1378521381 /nfs/dbraw/zinc/52/13/81/1378521381.db2.gz JBMBOMBNVQEUCX-IYBDPMFKSA-N 2 2 342.874 3.181 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143990737 1378667450 /nfs/dbraw/zinc/66/74/50/1378667450.db2.gz IMNKOJRXXXGPAC-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143990737 1378667454 /nfs/dbraw/zinc/66/74/54/1378667454.db2.gz IMNKOJRXXXGPAC-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)Nc3c[nH+]ccc3Nc3ccccc3)ccn12 ZINC001144349479 1378719401 /nfs/dbraw/zinc/71/94/01/1378719401.db2.gz MKVFIASJAGPRPX-UHFFFAOYSA-N 2 2 343.390 3.456 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358099 1379156669 /nfs/dbraw/zinc/15/66/69/1379156669.db2.gz UCOJSNYPEABVPE-DUMMIQTOSA-N 2 2 344.503 3.115 20 0 EGADLP CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358099 1379156672 /nfs/dbraw/zinc/15/66/72/1379156672.db2.gz UCOJSNYPEABVPE-DUMMIQTOSA-N 2 2 344.503 3.115 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528744 1380298260 /nfs/dbraw/zinc/29/82/60/1380298260.db2.gz HFOKWXZIVHDUCI-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528744 1380298263 /nfs/dbraw/zinc/29/82/63/1380298263.db2.gz HFOKWXZIVHDUCI-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP Fc1ccc2c(Cl)nnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2c1 ZINC001155063100 1380401111 /nfs/dbraw/zinc/40/11/11/1380401111.db2.gz MACZPWASQQIIOE-UHFFFAOYSA-N 2 2 331.782 3.075 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)nc[nH+]2)C1 ZINC001155553431 1380467614 /nfs/dbraw/zinc/46/76/14/1380467614.db2.gz UCOLMDNJITXTPQ-MDYRTPRTSA-N 2 2 337.471 3.228 20 0 EGADLP COC(=O)c1ccc(-c2ccc(N(CCC[NH3+])C(C)C)[nH+]c2C)cc1 ZINC001156124007 1380528625 /nfs/dbraw/zinc/52/86/25/1380528625.db2.gz HSHWQCZKKDBKCA-UHFFFAOYSA-N 2 2 341.455 3.407 20 0 EGADLP CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149497 1380531119 /nfs/dbraw/zinc/53/11/19/1380531119.db2.gz MZBAPTVNCPIEFX-MRXNPFEDSA-N 2 2 328.460 3.113 20 0 EGADLP CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149497 1380531120 /nfs/dbraw/zinc/53/11/20/1380531120.db2.gz MZBAPTVNCPIEFX-MRXNPFEDSA-N 2 2 328.460 3.113 20 0 EGADLP Nc1cc(CNc2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)cc[nH+]1 ZINC001156756798 1380626890 /nfs/dbraw/zinc/62/68/90/1380626890.db2.gz HGHOXQFITVVKLY-UHFFFAOYSA-N 2 2 348.385 3.208 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(C[NH3+])c3)n2)C1 ZINC001328130805 1388679694 /nfs/dbraw/zinc/67/96/94/1388679694.db2.gz HEQDILGOOVGRMV-ZDUSSCGKSA-N 2 2 344.484 3.086 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(C[NH3+])c3)n2)C1 ZINC001328130805 1388679697 /nfs/dbraw/zinc/67/96/97/1388679697.db2.gz HEQDILGOOVGRMV-ZDUSSCGKSA-N 2 2 344.484 3.086 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001157916345 1381069277 /nfs/dbraw/zinc/06/92/77/1381069277.db2.gz UUUQVNRBHXEIAE-UHFFFAOYSA-N 2 2 345.450 3.496 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534574 1381285059 /nfs/dbraw/zinc/28/50/59/1381285059.db2.gz ZJCAOHMOAZRPBT-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534574 1381285065 /nfs/dbraw/zinc/28/50/65/1381285065.db2.gz ZJCAOHMOAZRPBT-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CCc1cc(OC)ccc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261489 1381746682 /nfs/dbraw/zinc/74/66/82/1381746682.db2.gz LBGMMJSDZVCQRB-UHFFFAOYSA-N 2 2 326.444 3.324 20 0 EGADLP Cc1cc(CC(C)C)[nH+]cc1Nc1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC001159371582 1381780054 /nfs/dbraw/zinc/78/00/54/1381780054.db2.gz ISSICDYNUSZALS-UHFFFAOYSA-N 2 2 339.487 3.445 20 0 EGADLP Nc1c(F)cccc1N(CC1CC[NH2+]CC1)c1cccc2[nH+]c[nH]c21 ZINC001160082259 1381991923 /nfs/dbraw/zinc/99/19/23/1381991923.db2.gz OWWPWIZHWIHEET-UHFFFAOYSA-N 2 2 339.418 3.422 20 0 EGADLP CN(C)c1ccc(Nc2cc(F)ccc2OC2CC[NH2+]CC2)c[nH+]1 ZINC001160134988 1382010690 /nfs/dbraw/zinc/01/06/90/1382010690.db2.gz NLDQXOOVCSQJGV-UHFFFAOYSA-N 2 2 330.407 3.161 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CC1CCCCC1)n1cc[nH+]c1 ZINC001160533896 1382134679 /nfs/dbraw/zinc/13/46/79/1382134679.db2.gz CYLQZIOXTPFIFP-GOSISDBHSA-N 2 2 334.508 3.147 20 0 EGADLP O=C(NCCC[NH2+][C@@H]1CCCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001160992156 1382265626 /nfs/dbraw/zinc/26/56/26/1382265626.db2.gz RHLFOCHYRPVCQU-LJQANCHMSA-N 2 2 348.450 3.350 20 0 EGADLP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012589 1382271431 /nfs/dbraw/zinc/27/14/31/1382271431.db2.gz DVEALFWJWVDJFZ-WMZOPIPTSA-N 2 2 340.471 3.314 20 0 EGADLP C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012589 1382271433 /nfs/dbraw/zinc/27/14/33/1382271433.db2.gz DVEALFWJWVDJFZ-WMZOPIPTSA-N 2 2 340.471 3.314 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356199 1382380690 /nfs/dbraw/zinc/38/06/90/1382380690.db2.gz FPMDFPWJYZREDP-IAGOWNOFSA-N 2 2 332.492 3.019 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001161356199 1382380698 /nfs/dbraw/zinc/38/06/98/1382380698.db2.gz FPMDFPWJYZREDP-IAGOWNOFSA-N 2 2 332.492 3.019 20 0 EGADLP CC(C)N(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)[C@@H](C)c1ccccc1 ZINC001161442477 1382412115 /nfs/dbraw/zinc/41/21/15/1382412115.db2.gz BGXCFANDASOHMU-KXBFYZLASA-N 2 2 325.456 3.257 20 0 EGADLP CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784678 1382505955 /nfs/dbraw/zinc/50/59/55/1382505955.db2.gz HAJBESZXXRVMNM-AATRIKPKSA-N 2 2 344.503 3.145 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001161784678 1382505962 /nfs/dbraw/zinc/50/59/62/1382505962.db2.gz HAJBESZXXRVMNM-AATRIKPKSA-N 2 2 344.503 3.145 20 0 EGADLP c1cc2n(c1)C[C@H](CCNc1cc(-c3ccncc3)cc[nH+]1)C[NH2+]C2 ZINC001163049782 1382954504 /nfs/dbraw/zinc/95/45/04/1382954504.db2.gz LHESGQDCCMHDHK-MRXNPFEDSA-N 2 2 333.439 3.167 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC001328716264 1388822003 /nfs/dbraw/zinc/82/20/03/1388822003.db2.gz HEEPIWMDLZVIDZ-XGXHKWSGSA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC001328716264 1388822006 /nfs/dbraw/zinc/82/20/06/1388822006.db2.gz HEEPIWMDLZVIDZ-XGXHKWSGSA-N 2 2 331.508 3.004 20 0 EGADLP COc1ccc(CCCNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001164194708 1383164966 /nfs/dbraw/zinc/16/49/66/1383164966.db2.gz QHRJFMICOAMLKB-LJQANCHMSA-N 2 2 339.483 3.273 20 0 EGADLP COc1ccc(CCCNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001164194708 1383164967 /nfs/dbraw/zinc/16/49/67/1383164967.db2.gz QHRJFMICOAMLKB-LJQANCHMSA-N 2 2 339.483 3.273 20 0 EGADLP COc1cc[nH+]c(N(C)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001165184336 1383243491 /nfs/dbraw/zinc/24/34/91/1383243491.db2.gz WNPZPUGVQOPMTE-VQIMIIECSA-N 2 2 325.456 3.437 20 0 EGADLP COc1cc[nH+]c(N(C)[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001165184336 1383243496 /nfs/dbraw/zinc/24/34/96/1383243496.db2.gz WNPZPUGVQOPMTE-VQIMIIECSA-N 2 2 325.456 3.437 20 0 EGADLP COc1cc(C)c[nH+]c1N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305128 1383269597 /nfs/dbraw/zinc/26/95/97/1383269597.db2.gz JLEPILHWEUBPRJ-ZDUSSCGKSA-N 2 2 329.366 3.052 20 0 EGADLP O=C(NCCC1(C[NH2+]CC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001166138974 1383394351 /nfs/dbraw/zinc/39/43/51/1383394351.db2.gz VZAXNUCJVNLINC-UHFFFAOYSA-N 2 2 340.471 3.014 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348808 1383606371 /nfs/dbraw/zinc/60/63/71/1383606371.db2.gz VKACCEISRMOPST-QZTJIDSGSA-N 2 2 348.535 3.393 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167421887 1383629363 /nfs/dbraw/zinc/62/93/63/1383629363.db2.gz AQWKMHVTGHSUFR-IRXDYDNUSA-N 2 2 348.535 3.147 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167421887 1383629366 /nfs/dbraw/zinc/62/93/66/1383629366.db2.gz AQWKMHVTGHSUFR-IRXDYDNUSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426282 1383631290 /nfs/dbraw/zinc/63/12/90/1383631290.db2.gz QJZHUKSBYATAKN-INIZCTEOSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426282 1383631292 /nfs/dbraw/zinc/63/12/92/1383631292.db2.gz QJZHUKSBYATAKN-INIZCTEOSA-N 2 2 346.519 3.045 20 0 EGADLP COc1c(NC(=[NH2+])SCC[NH3+])cccc1OCc1ccccc1 ZINC001167915959 1383769426 /nfs/dbraw/zinc/76/94/26/1383769426.db2.gz MOWFMAKSGKKENU-UHFFFAOYSA-N 2 2 331.441 3.313 20 0 EGADLP C[NH+](C)Cc1c(F)cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1F ZINC001167987264 1383788143 /nfs/dbraw/zinc/78/81/43/1383788143.db2.gz KSDNVAVUXGQUHO-UHFFFAOYSA-N 2 2 345.393 3.177 20 0 EGADLP C[C@@H]1CC([NH2+]Cc2cn3cccnc3n2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168007516 1383794857 /nfs/dbraw/zinc/79/48/57/1383794857.db2.gz SOQJKKNYXPRQIM-IAGOWNOFSA-N 2 2 349.482 3.261 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168010970 1383795605 /nfs/dbraw/zinc/79/56/05/1383795605.db2.gz LVGGWMAWFBKPTM-HZPDHXFCSA-N 3 2 326.488 3.307 20 0 EGADLP C[C@@H]1CC([N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040043 1383803295 /nfs/dbraw/zinc/80/32/95/1383803295.db2.gz JYMDBWRGRLDVNP-YAJHFMINSA-N 2 2 334.479 3.223 20 0 EGADLP C[C@@H]1CC([N@H+]2CC[C@@](C)(O)[C@@H](F)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040043 1383803300 /nfs/dbraw/zinc/80/33/00/1383803300.db2.gz JYMDBWRGRLDVNP-YAJHFMINSA-N 2 2 334.479 3.223 20 0 EGADLP C[C@H]1CC([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061493 1383807083 /nfs/dbraw/zinc/80/70/83/1383807083.db2.gz IOGNPLWLGOWXQR-PBWTXFEYSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@H]1CC([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061493 1383807104 /nfs/dbraw/zinc/80/71/04/1383807104.db2.gz IOGNPLWLGOWXQR-PBWTXFEYSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@@H]1C[C@@H](N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065508 1383808491 /nfs/dbraw/zinc/80/84/91/1383808491.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 2 327.516 3.064 20 0 EGADLP C[C@@H]1C[C@@H](N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065508 1383808495 /nfs/dbraw/zinc/80/84/95/1383808495.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 2 327.516 3.064 20 0 EGADLP C[C@@H]1C[C@@H](N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065508 1383808498 /nfs/dbraw/zinc/80/84/98/1383808498.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 2 327.516 3.064 20 0 EGADLP C[C@@H]1C[C@@H](N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065508 1383808503 /nfs/dbraw/zinc/80/85/03/1383808503.db2.gz XBIHDERHJMHLTD-YZUZWNONSA-N 2 2 327.516 3.064 20 0 EGADLP C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001168454848 1383910988 /nfs/dbraw/zinc/91/09/88/1383910988.db2.gz BFNGZRJDBOMYCD-KRWDZBQOSA-N 2 2 342.458 3.379 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619481 1383949786 /nfs/dbraw/zinc/94/97/86/1383949786.db2.gz ZESQJAMJFHJXPN-WSTZPKSXSA-N 2 2 332.488 3.235 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC(C)C)C3)CCO2)cc1 ZINC001168619481 1383949792 /nfs/dbraw/zinc/94/97/92/1383949792.db2.gz ZESQJAMJFHJXPN-WSTZPKSXSA-N 2 2 332.488 3.235 20 0 EGADLP COc1ccc([C@H]2C[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)CCO2)cc1 ZINC001168664694 1383964010 /nfs/dbraw/zinc/96/40/10/1383964010.db2.gz JDMCBICREILNOX-AZUAARDMSA-N 2 2 341.455 3.449 20 0 EGADLP CCCC[C@H](C(=O)OC)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001307756164 1384026711 /nfs/dbraw/zinc/02/67/11/1384026711.db2.gz GWCGCOHBXQMFES-LJQANCHMSA-N 2 2 341.455 3.089 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107606 1384107828 /nfs/dbraw/zinc/10/78/28/1384107828.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 3 2 339.527 3.397 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001169107606 1384107830 /nfs/dbraw/zinc/10/78/30/1384107830.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001169107606 1384107832 /nfs/dbraw/zinc/10/78/32/1384107832.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 3 2 339.527 3.397 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001169107606 1384107834 /nfs/dbraw/zinc/10/78/34/1384107834.db2.gz IGCUCRDVHKXZSS-HWWIXODDSA-N 3 2 339.527 3.397 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COc3cc(Br)ccc31)C2 ZINC001169115006 1384108657 /nfs/dbraw/zinc/10/86/57/1384108657.db2.gz GNGQUQYOXQYHCU-GUIRCDHDSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COc3cc(Br)ccc31)C2 ZINC001169115006 1384108659 /nfs/dbraw/zinc/10/86/59/1384108659.db2.gz GNGQUQYOXQYHCU-GUIRCDHDSA-N 2 2 337.261 3.097 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001308208657 1384109239 /nfs/dbraw/zinc/10/92/39/1384109239.db2.gz RPCMCZIRDOCRNP-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122929 1384110681 /nfs/dbraw/zinc/11/06/81/1384110681.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169122929 1384110685 /nfs/dbraw/zinc/11/06/85/1384110685.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169122929 1384110687 /nfs/dbraw/zinc/11/06/87/1384110687.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 3 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169122929 1384110689 /nfs/dbraw/zinc/11/06/89/1384110689.db2.gz GGOWZQSDIQEKJP-RQXATKFSSA-N 3 2 327.516 3.112 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113004 /nfs/dbraw/zinc/11/30/04/1384113004.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 3 2 343.515 3.193 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[NH+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113005 /nfs/dbraw/zinc/11/30/05/1384113005.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 3 2 343.515 3.193 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[N@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113006 /nfs/dbraw/zinc/11/30/06/1384113006.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 3 2 343.515 3.193 20 0 EGADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001169141982 1384113007 /nfs/dbraw/zinc/11/30/07/1384113007.db2.gz YTOOFLMMBQHNKM-ACDBMABISA-N 3 2 343.515 3.193 20 0 EGADLP CCc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCO2 ZINC001308670043 1384141195 /nfs/dbraw/zinc/14/11/95/1384141195.db2.gz YQKPQTIAITWGIE-AZUAARDMSA-N 2 2 344.499 3.306 20 0 EGADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169934980 1384200944 /nfs/dbraw/zinc/20/09/44/1384200944.db2.gz SIYOEJCBRFNJQM-FQEVSTJZSA-N 2 2 344.499 3.269 20 0 EGADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169934980 1384200948 /nfs/dbraw/zinc/20/09/48/1384200948.db2.gz SIYOEJCBRFNJQM-FQEVSTJZSA-N 2 2 344.499 3.269 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001170022590 1384219683 /nfs/dbraw/zinc/21/96/83/1384219683.db2.gz FBCAVOVZOGDWPD-QGZVFWFLSA-N 2 2 348.450 3.343 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170484415 1384328749 /nfs/dbraw/zinc/32/87/49/1384328749.db2.gz YLYSIIPCUUZXEZ-KRWDZBQOSA-N 2 2 346.519 3.497 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170573712 1384345101 /nfs/dbraw/zinc/34/51/01/1384345101.db2.gz TVRUESIEDDCLIU-APWZRJJASA-N 2 2 348.462 3.064 20 0 EGADLP COC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)C1 ZINC001170573712 1384345104 /nfs/dbraw/zinc/34/51/04/1384345104.db2.gz TVRUESIEDDCLIU-APWZRJJASA-N 2 2 348.462 3.064 20 0 EGADLP Cc1c[nH+]cc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1C ZINC001170717618 1384372547 /nfs/dbraw/zinc/37/25/47/1384372547.db2.gz CEDOFDOMGPKIRP-MXVIHJGJSA-N 2 2 342.531 3.449 20 0 EGADLP CC[C@]([NH3+])(CO)Nc1ccc2[nH+]c(-c3ccc(Cl)cc3)cn2c1 ZINC001170862209 1384400983 /nfs/dbraw/zinc/40/09/83/1384400983.db2.gz HDTRJHXHRASYNC-QGZVFWFLSA-N 2 2 330.819 3.124 20 0 EGADLP CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527440 1384551832 /nfs/dbraw/zinc/55/18/32/1384551832.db2.gz NNRJVHXUMGVZCR-HIFRSBDPSA-N 2 2 334.439 3.189 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)c1 ZINC001171579008 1384570684 /nfs/dbraw/zinc/57/06/84/1384570684.db2.gz MZQCQTBZBCYMLZ-SFHVURJKSA-N 2 2 337.467 3.078 20 0 EGADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171583706 1384571803 /nfs/dbraw/zinc/57/18/03/1384571803.db2.gz CUYRHNVTRPGVQQ-OAGGEKHMSA-N 2 2 341.540 3.340 20 0 EGADLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccnc(OCC3CCC3)n2)CC1(C)C ZINC001171631305 1384586449 /nfs/dbraw/zinc/58/64/49/1384586449.db2.gz YDFZSYZDRWKAFU-UHFFFAOYSA-N 2 2 346.519 3.397 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001171785040 1384635954 /nfs/dbraw/zinc/63/59/54/1384635954.db2.gz ZXTXYHZVBPRHDQ-CVEARBPZSA-N 2 2 330.476 3.259 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)CCCC[NH2+]CCC[C@@H](C)O)c(C)[nH+]1 ZINC001171859553 1384662950 /nfs/dbraw/zinc/66/29/50/1384662950.db2.gz GIPZJPDTRCXAKD-NVXWUHKLSA-N 2 2 349.519 3.046 20 0 EGADLP C[C@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)CCc1[nH+]ccn1C ZINC001171896508 1384673574 /nfs/dbraw/zinc/67/35/74/1384673574.db2.gz PPZMAUHGXUBRKV-MRXNPFEDSA-N 2 2 336.524 3.054 20 0 EGADLP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001172060493 1384713898 /nfs/dbraw/zinc/71/38/98/1384713898.db2.gz ASNCAELJHBUSSU-KJJMTIBFSA-N 2 2 339.527 3.256 20 0 EGADLP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@H]2C[NH+]4CCC2CC4)C3)cc1 ZINC001172060493 1384713900 /nfs/dbraw/zinc/71/39/00/1384713900.db2.gz ASNCAELJHBUSSU-KJJMTIBFSA-N 2 2 339.527 3.256 20 0 EGADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)cc1 ZINC001172113698 1384731294 /nfs/dbraw/zinc/73/12/94/1384731294.db2.gz JBAGHDCQAHPABF-XSDIEEQYSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC001172113698 1384731296 /nfs/dbraw/zinc/73/12/96/1384731296.db2.gz JBAGHDCQAHPABF-XSDIEEQYSA-N 2 2 327.516 3.174 20 0 EGADLP CC(C)OCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172446602 1384792917 /nfs/dbraw/zinc/79/29/17/1384792917.db2.gz MBZJLZNTWKUKFO-INIZCTEOSA-N 2 2 336.524 3.087 20 0 EGADLP CC(C)OCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001172446602 1384792919 /nfs/dbraw/zinc/79/29/19/1384792919.db2.gz MBZJLZNTWKUKFO-INIZCTEOSA-N 2 2 336.524 3.087 20 0 EGADLP COC1CC[NH+](C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)CC1 ZINC001172721031 1384837100 /nfs/dbraw/zinc/83/71/00/1384837100.db2.gz BADLQDXRUVQXPG-IBGZPJMESA-N 2 2 348.918 3.382 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CN1C(=O)OC(C)(C)C ZINC001173065398 1384905608 /nfs/dbraw/zinc/90/56/08/1384905608.db2.gz VNSVSHIURURLOZ-GDBMZVCRSA-N 2 2 344.459 3.212 20 0 EGADLP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281257 1384949856 /nfs/dbraw/zinc/94/98/56/1384949856.db2.gz RQBWALZDIFWHFN-IEBWSBKVSA-N 2 2 330.520 3.429 20 0 EGADLP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281257 1384949858 /nfs/dbraw/zinc/94/98/58/1384949858.db2.gz RQBWALZDIFWHFN-IEBWSBKVSA-N 2 2 330.520 3.429 20 0 EGADLP CC[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001173280478 1384950748 /nfs/dbraw/zinc/95/07/48/1384950748.db2.gz UAKOKRMKCXMHOT-KZNAEPCWSA-N 2 2 329.488 3.378 20 0 EGADLP CCOC(=O)[C@H]1CC12CCC(n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001173624430 1384990478 /nfs/dbraw/zinc/99/04/78/1384990478.db2.gz XQNDZVNFCCZIKS-UYFTZEKXSA-N 2 2 331.460 3.035 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC001173641162 1384994011 /nfs/dbraw/zinc/99/40/11/1384994011.db2.gz OGPVLVCHKOLYTG-CVEARBPZSA-N 2 2 332.444 3.047 20 0 EGADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173673506 1385001377 /nfs/dbraw/zinc/00/13/77/1385001377.db2.gz NFBIXPRIQMDDBV-ARFHVFGLSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]1CC([NH2+]CCOc2cc[nH+]cc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173680101 1385002224 /nfs/dbraw/zinc/00/22/24/1385002224.db2.gz NHABQCPXUXZSQT-HUUCEWRRSA-N 2 2 349.475 3.227 20 0 EGADLP Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174445798 1385110299 /nfs/dbraw/zinc/11/02/99/1385110299.db2.gz PLCQKPDORVTICN-UHFFFAOYSA-N 2 2 340.402 3.358 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175209490 1385221397 /nfs/dbraw/zinc/22/13/97/1385221397.db2.gz KFZCPNGQZKCAQR-RDJZCZTQSA-N 2 2 346.519 3.284 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175639471 1385360112 /nfs/dbraw/zinc/36/01/12/1385360112.db2.gz ZSKZATQWCKFCDG-HOTGVXAUSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175639471 1385360118 /nfs/dbraw/zinc/36/01/18/1385360118.db2.gz ZSKZATQWCKFCDG-HOTGVXAUSA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993936 1385455193 /nfs/dbraw/zinc/45/51/93/1385455193.db2.gz XGMJBRVCFQFDQR-KRWDZBQOSA-N 2 2 342.487 3.407 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175994015 1385455374 /nfs/dbraw/zinc/45/53/74/1385455374.db2.gz ZWUSZPCTKAQZLM-MRXNPFEDSA-N 2 2 340.471 3.161 20 0 EGADLP Cn1c[nH+]c2cc(Nc3ccc(CC[NH+]4CCOCC4)cc3)ccc21 ZINC001176383339 1385571096 /nfs/dbraw/zinc/57/10/96/1385571096.db2.gz VELIBLZKXXOKGT-UHFFFAOYSA-N 2 2 336.439 3.192 20 0 EGADLP CCC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176402131 1385577071 /nfs/dbraw/zinc/57/70/71/1385577071.db2.gz QPAZBOKAIVCKFM-DKFQHHCZSA-N 2 2 348.535 3.364 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)n1cc[nH+]c1 ZINC001318028350 1385611134 /nfs/dbraw/zinc/61/11/34/1385611134.db2.gz SUXDZNMLAFAEGS-MRXNPFEDSA-N 2 2 326.444 3.459 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001176830034 1385716414 /nfs/dbraw/zinc/71/64/14/1385716414.db2.gz YOCLORFDJZQKKV-ROUUACIJSA-N 2 2 342.487 3.217 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Oc1ccccc1F ZINC001318553276 1385751455 /nfs/dbraw/zinc/75/14/55/1385751455.db2.gz SBYUVVMQZPGOCM-GFCCVEGCSA-N 2 2 340.358 3.121 20 0 EGADLP CC(C)(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001177448604 1385959904 /nfs/dbraw/zinc/95/99/04/1385959904.db2.gz NSHNYBFPHDOIKZ-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466661 1385966830 /nfs/dbraw/zinc/96/68/30/1385966830.db2.gz AMNRQNCPSUAVOY-KRWDZBQOSA-N 2 2 348.535 3.007 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001178649722 1386268902 /nfs/dbraw/zinc/26/89/02/1386268902.db2.gz WRYYXLCXXFGGPH-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001178649722 1386268906 /nfs/dbraw/zinc/26/89/06/1386268906.db2.gz WRYYXLCXXFGGPH-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)C[NH2+]CCCCCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001178771026 1386298827 /nfs/dbraw/zinc/29/88/27/1386298827.db2.gz ZXRHCVLZFBYXPP-SFHVURJKSA-N 2 2 336.524 3.393 20 0 EGADLP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823975 1386318198 /nfs/dbraw/zinc/31/81/98/1386318198.db2.gz YQTKQBODBSKVSG-OAHLLOKOSA-N 2 2 334.439 3.191 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001178977758 1386366183 /nfs/dbraw/zinc/36/61/83/1386366183.db2.gz DRRJQNYBQKQVRK-RDJZCZTQSA-N 2 2 347.503 3.038 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001178995872 1386371415 /nfs/dbraw/zinc/37/14/15/1386371415.db2.gz WARDLBIVFAOBBD-QNKPMFPBSA-N 2 2 326.444 3.112 20 0 EGADLP O=C(NCCCCCC[NH2+]CCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157894 1386413402 /nfs/dbraw/zinc/41/34/02/1386413402.db2.gz VGKAAGOPLZXOGN-UHFFFAOYSA-N 2 2 346.450 3.112 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001179689614 1386554398 /nfs/dbraw/zinc/55/43/98/1386554398.db2.gz HAVWNXMHOSNXEV-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179690009 1386555226 /nfs/dbraw/zinc/55/52/26/1386555226.db2.gz VXDARALWQRZUBQ-KRWDZBQOSA-N 2 2 342.487 3.288 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705471 1386560416 /nfs/dbraw/zinc/56/04/16/1386560416.db2.gz FSKXDSIAJOLKMS-WRFKIARRSA-N 2 2 334.508 3.457 20 0 EGADLP C[C@@H](CC(=O)NCCCCCC[NH2+]CCC(F)(F)F)n1cc[nH+]c1 ZINC001179706276 1386560856 /nfs/dbraw/zinc/56/08/56/1386560856.db2.gz ZDDPKTJARFFEBI-AWEZNQCLSA-N 2 2 348.413 3.053 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001179907085 1386624350 /nfs/dbraw/zinc/62/43/50/1386624350.db2.gz VKYRKPKGBSIKLU-ROUUACIJSA-N 2 2 348.535 3.435 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001180158457 1386716767 /nfs/dbraw/zinc/71/67/67/1386716767.db2.gz LGIKJUUJIKBSPW-INIZCTEOSA-N 2 2 336.524 3.209 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NCCCCCC[NH2+]CC1CCCC1 ZINC001180452179 1386800857 /nfs/dbraw/zinc/80/08/57/1386800857.db2.gz PCSNNSWLDOHPEQ-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001181688496 1387039220 /nfs/dbraw/zinc/03/92/20/1387039220.db2.gz QFEZWMKGUQZEIQ-MBOZVWFJSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001181688496 1387039225 /nfs/dbraw/zinc/03/92/25/1387039225.db2.gz QFEZWMKGUQZEIQ-MBOZVWFJSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001181780827 1387054409 /nfs/dbraw/zinc/05/44/09/1387054409.db2.gz AJQNFOMKMIDAEX-WOCWXWTJSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001181780827 1387054412 /nfs/dbraw/zinc/05/44/12/1387054412.db2.gz AJQNFOMKMIDAEX-WOCWXWTJSA-N 2 2 346.519 3.024 20 0 EGADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC001331417425 1389739615 /nfs/dbraw/zinc/73/96/15/1389739615.db2.gz AXXPPDUNBFAAHF-LLVKDONJSA-N 2 2 341.286 3.433 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001331997444 1389939683 /nfs/dbraw/zinc/93/96/83/1389939683.db2.gz OVGCMZNRYAFTKB-CZUORRHYSA-N 2 2 328.460 3.192 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc4ncccc34)[nH+]c2)C1 ZINC001332269083 1390070002 /nfs/dbraw/zinc/07/00/02/1390070002.db2.gz FJMMZXHRLRSGIH-SFHVURJKSA-N 2 2 347.466 3.382 20 0 EGADLP C[NH2+]CCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC001341659068 1390515175 /nfs/dbraw/zinc/51/51/75/1390515175.db2.gz LRHGVDVGYAHRJG-UHFFFAOYSA-N 2 2 326.444 3.215 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC1CCCC1 ZINC001479832129 1392418733 /nfs/dbraw/zinc/41/87/33/1392418733.db2.gz GNURVCALOOGTDG-QFBILLFUSA-N 2 2 346.519 3.200 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CCCC1 ZINC001481824010 1394546645 /nfs/dbraw/zinc/54/66/45/1394546645.db2.gz OOOODBJTCCISAX-INIZCTEOSA-N 2 2 328.460 3.241 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001482100904 1394747445 /nfs/dbraw/zinc/74/74/45/1394747445.db2.gz JMRJADFVKSNEFR-HZPDHXFCSA-N 2 2 344.503 3.280 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001484766435 1395521592 /nfs/dbraw/zinc/52/15/92/1395521592.db2.gz RMHQEWLYYWTASW-AEFFLSMTSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001484766435 1395521594 /nfs/dbraw/zinc/52/15/94/1395521594.db2.gz RMHQEWLYYWTASW-AEFFLSMTSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCC2)c1 ZINC001495192898 1396522457 /nfs/dbraw/zinc/52/24/57/1396522457.db2.gz ZRTNZTGTWFIMNE-MRXNPFEDSA-N 2 2 340.471 3.040 20 0 EGADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001690652277 1404683980 /nfs/dbraw/zinc/68/39/80/1404683980.db2.gz PZQJHFMWLNIYQA-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690708426 1404694878 /nfs/dbraw/zinc/69/48/78/1404694878.db2.gz PZSKWRNXADKNRB-KRWDZBQOSA-N 2 2 342.487 3.131 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC001691042139 1404952208 /nfs/dbraw/zinc/95/22/08/1404952208.db2.gz DLKYZKCSUZZANM-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC001691042139 1404952212 /nfs/dbraw/zinc/95/22/12/1404952212.db2.gz DLKYZKCSUZZANM-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972147 1405687701 /nfs/dbraw/zinc/68/77/01/1405687701.db2.gz LXZLBWSJYHSFIW-KBXCAEBGSA-N 2 2 331.504 3.447 20 0 EGADLP CC[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691972147 1405687705 /nfs/dbraw/zinc/68/77/05/1405687705.db2.gz LXZLBWSJYHSFIW-KBXCAEBGSA-N 2 2 331.504 3.447 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1cccc(Cl)c1 ZINC001731804081 1427971910 /nfs/dbraw/zinc/97/19/10/1427971910.db2.gz AHXZTSZTXPLIRX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)c1cccc(Cl)c1 ZINC001731804081 1427971917 /nfs/dbraw/zinc/97/19/17/1427971917.db2.gz AHXZTSZTXPLIRX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1cccc(Cl)c1 ZINC001731804081 1427971921 /nfs/dbraw/zinc/97/19/21/1427971921.db2.gz AHXZTSZTXPLIRX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)c1cccc(Cl)c1 ZINC001731804081 1427971926 /nfs/dbraw/zinc/97/19/26/1427971926.db2.gz AHXZTSZTXPLIRX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CC(C)(C)CCC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001692315311 1405933860 /nfs/dbraw/zinc/93/38/60/1405933860.db2.gz PNQATPQJHLTCIH-UHFFFAOYSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)n1cc[nH+]c1 ZINC001732396849 1428564048 /nfs/dbraw/zinc/56/40/48/1428564048.db2.gz ODOVLUGOFKZHHT-QGZVFWFLSA-N 2 2 340.471 3.053 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699452503 1412794133 /nfs/dbraw/zinc/79/41/33/1412794133.db2.gz JKYLPCGYTKVJLV-MRXNPFEDSA-N 2 2 342.487 3.359 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001699452503 1412794135 /nfs/dbraw/zinc/79/41/35/1412794135.db2.gz JKYLPCGYTKVJLV-MRXNPFEDSA-N 2 2 342.487 3.359 20 0 EGADLP CCc1ccccc1C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001699655741 1413038140 /nfs/dbraw/zinc/03/81/40/1413038140.db2.gz PUEXGQYQFLRUMW-UHFFFAOYSA-N 2 2 348.450 3.178 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CCC2)C1 ZINC001700137766 1413556321 /nfs/dbraw/zinc/55/63/21/1413556321.db2.gz SVHCRZMCBAAIOY-MSOLQXFVSA-N 2 2 346.519 3.118 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CCC([NH2+]C/C=C/Cl)CC1 ZINC001700437743 1414006537 /nfs/dbraw/zinc/00/65/37/1414006537.db2.gz PUENLDGQPQBCBH-XCVCLJGOSA-N 2 2 346.862 3.060 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001700525964 1414187258 /nfs/dbraw/zinc/18/72/58/1414187258.db2.gz UBKJUDHBFIHBJG-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001700525964 1414187261 /nfs/dbraw/zinc/18/72/61/1414187261.db2.gz UBKJUDHBFIHBJG-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1 ZINC001700525964 1414187266 /nfs/dbraw/zinc/18/72/66/1414187266.db2.gz UBKJUDHBFIHBJG-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCCC[N@H+]1CC1CCCCC1 ZINC001700525964 1414187269 /nfs/dbraw/zinc/18/72/69/1414187269.db2.gz UBKJUDHBFIHBJG-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001700998840 1414649351 /nfs/dbraw/zinc/64/93/51/1414649351.db2.gz WENABMJZEDVCPA-SFHVURJKSA-N 2 2 348.535 3.352 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)c1ccccc1Cl ZINC001732698504 1428915070 /nfs/dbraw/zinc/91/50/70/1428915070.db2.gz ODWRSCRQLOVXTR-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)c1ccccc1Cl ZINC001732698504 1428915074 /nfs/dbraw/zinc/91/50/74/1428915074.db2.gz ODWRSCRQLOVXTR-UONOGXRCSA-N 2 2 348.878 3.241 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084346 1417630276 /nfs/dbraw/zinc/63/02/76/1417630276.db2.gz BFOMEHJHYQRBKF-GDBMZVCRSA-N 2 2 328.460 3.049 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713084346 1417630280 /nfs/dbraw/zinc/63/02/80/1417630280.db2.gz BFOMEHJHYQRBKF-GDBMZVCRSA-N 2 2 328.460 3.049 20 0 EGADLP C[N@H+](C/C=C\Cl)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131506 1417705731 /nfs/dbraw/zinc/70/57/31/1417705731.db2.gz GHMLKYAPPFHHKI-JHAQOBCDSA-N 2 2 346.862 3.099 20 0 EGADLP C[N@@H+](C/C=C\Cl)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131506 1417705735 /nfs/dbraw/zinc/70/57/35/1417705735.db2.gz GHMLKYAPPFHHKI-JHAQOBCDSA-N 2 2 346.862 3.099 20 0 EGADLP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001713263512 1417871793 /nfs/dbraw/zinc/87/17/93/1417871793.db2.gz QHUFPSYXBHNULW-MOPGFXCFSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109013 1418910108 /nfs/dbraw/zinc/91/01/08/1418910108.db2.gz FPGCQVQMMKZHDU-QZTJIDSGSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001714109013 1418910111 /nfs/dbraw/zinc/91/01/11/1418910111.db2.gz FPGCQVQMMKZHDU-QZTJIDSGSA-N 2 2 348.535 3.006 20 0 EGADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1ccc(C)cc1C ZINC001714595152 1419346139 /nfs/dbraw/zinc/34/61/39/1419346139.db2.gz OTOJRRHJJPXRPK-SFHVURJKSA-N 2 2 342.487 3.089 20 0 EGADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1ccc(C)cc1C ZINC001714595152 1419346143 /nfs/dbraw/zinc/34/61/43/1419346143.db2.gz OTOJRRHJJPXRPK-SFHVURJKSA-N 2 2 342.487 3.089 20 0 EGADLP Cc1ccccc1C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001714669697 1419459164 /nfs/dbraw/zinc/45/91/64/1419459164.db2.gz LSUDNPARIZKRMF-UHFFFAOYSA-N 2 2 348.450 3.266 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257852 1419979689 /nfs/dbraw/zinc/97/96/89/1419979689.db2.gz OHUBYQPFOLTGJT-JKSUJKDBSA-N 2 2 348.535 3.147 20 0 EGADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715257852 1419979691 /nfs/dbraw/zinc/97/96/91/1419979691.db2.gz OHUBYQPFOLTGJT-JKSUJKDBSA-N 2 2 348.535 3.147 20 0 EGADLP CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CCC1 ZINC001715500234 1420182567 /nfs/dbraw/zinc/18/25/67/1420182567.db2.gz VOLVIGPFUZLLNP-LJQANCHMSA-N 2 2 340.471 3.016 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CCCCC3)CC2)c(C)[nH+]1 ZINC001733252569 1429401822 /nfs/dbraw/zinc/40/18/22/1429401822.db2.gz RKCXKBCLXFOTIO-UHFFFAOYSA-N 2 2 329.488 3.439 20 0 EGADLP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001715540815 1420239061 /nfs/dbraw/zinc/23/90/61/1420239061.db2.gz TZACGDXAVNGACU-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP CN(CC[N@@H+](C)CC1CCCCCC1)C(=O)CCCn1cc[nH+]c1 ZINC001715540815 1420239062 /nfs/dbraw/zinc/23/90/62/1420239062.db2.gz TZACGDXAVNGACU-UHFFFAOYSA-N 2 2 334.508 3.024 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC001715958046 1420423900 /nfs/dbraw/zinc/42/39/00/1420423900.db2.gz MQMKLICMROXHJC-GOSISDBHSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1ccc(C[N@H+](C)CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)c1 ZINC001715958046 1420423902 /nfs/dbraw/zinc/42/39/02/1420423902.db2.gz MQMKLICMROXHJC-GOSISDBHSA-N 2 2 342.487 3.041 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508887 1420740597 /nfs/dbraw/zinc/74/05/97/1420740597.db2.gz SBTPQCCXJZZCRQ-MSOLQXFVSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001716508887 1420740599 /nfs/dbraw/zinc/74/05/99/1420740599.db2.gz SBTPQCCXJZZCRQ-MSOLQXFVSA-N 2 2 342.487 3.169 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001717144808 1421137586 /nfs/dbraw/zinc/13/75/86/1421137586.db2.gz ZONJKTROCRPXRC-QZTJIDSGSA-N 2 2 334.508 3.097 20 0 EGADLP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717369124 1421306702 /nfs/dbraw/zinc/30/67/02/1421306702.db2.gz JWUDGIDERNMSSS-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001717369124 1421306705 /nfs/dbraw/zinc/30/67/05/1421306705.db2.gz JWUDGIDERNMSSS-IBGZPJMESA-N 2 2 340.471 3.209 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@H]([NH2+]CC(C)C)C(C)C)ccn12 ZINC001717512798 1421449893 /nfs/dbraw/zinc/44/98/93/1421449893.db2.gz GFXJWCKCBCAGIG-SFHVURJKSA-N 2 2 344.503 3.375 20 0 EGADLP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001717701810 1421574910 /nfs/dbraw/zinc/57/49/10/1421574910.db2.gz DVJBKACDKQJITI-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001717701810 1421574912 /nfs/dbraw/zinc/57/49/12/1421574912.db2.gz DVJBKACDKQJITI-UHFFFAOYSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733361266 1429545253 /nfs/dbraw/zinc/54/52/53/1429545253.db2.gz QZZIOXUXKCAPNM-DLBZAZTESA-N 2 2 348.535 3.241 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001733361266 1429545254 /nfs/dbraw/zinc/54/52/54/1429545254.db2.gz QZZIOXUXKCAPNM-DLBZAZTESA-N 2 2 348.535 3.241 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001723874746 1424594064 /nfs/dbraw/zinc/59/40/64/1424594064.db2.gz JPERPEGIXSVBNQ-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001724013096 1424626584 /nfs/dbraw/zinc/62/65/84/1424626584.db2.gz BICDXRCXZIXEEP-QGZVFWFLSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCCC1CCC1 ZINC001725626685 1426293267 /nfs/dbraw/zinc/29/32/67/1426293267.db2.gz PWXPFBJDCZHQDL-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCCC1CCC1 ZINC001725626685 1426293271 /nfs/dbraw/zinc/29/32/71/1426293271.db2.gz PWXPFBJDCZHQDL-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001731396436 1427352076 /nfs/dbraw/zinc/35/20/76/1427352076.db2.gz OMFYBMFHZAYRLP-AUUYWEPGSA-N 2 2 342.487 3.343 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001731556804 1427584169 /nfs/dbraw/zinc/58/41/69/1427584169.db2.gz CFDCUXPYWSFJBH-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001731556804 1427584174 /nfs/dbraw/zinc/58/41/74/1427584174.db2.gz CFDCUXPYWSFJBH-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001731603115 1427646838 /nfs/dbraw/zinc/64/68/38/1427646838.db2.gz YVWUHHRBDMFIKJ-WMLDXEAASA-N 2 2 336.439 3.422 20 0 EGADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)CCC1CCCCCC1 ZINC001734046651 1437835744 /nfs/dbraw/zinc/83/57/44/1437835744.db2.gz GNYPJFDFECAYPA-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)CCC1CCCCCC1 ZINC001734046651 1437835746 /nfs/dbraw/zinc/83/57/46/1437835746.db2.gz GNYPJFDFECAYPA-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001734567265 1438162362 /nfs/dbraw/zinc/16/23/62/1438162362.db2.gz MCXULBFFZKUXAD-QGZVFWFLSA-N 2 2 328.460 3.015 20 0 EGADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001752441768 1440181460 /nfs/dbraw/zinc/18/14/60/1440181460.db2.gz MAKQVFVMAGAKIX-UHFFFAOYSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752668350 1440198707 /nfs/dbraw/zinc/19/87/07/1440198707.db2.gz AUFOLDOZXPHMPV-XSLAGTTESA-N 2 2 340.471 3.141 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001752971189 1440254901 /nfs/dbraw/zinc/25/49/01/1440254901.db2.gz JMEYQWPABSZJGF-UBZMYNMCSA-N 2 2 345.487 3.006 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001753037279 1440274982 /nfs/dbraw/zinc/27/49/82/1440274982.db2.gz NGZPSRKHJFVLRN-INIZCTEOSA-N 2 2 334.508 3.139 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001753037279 1440274983 /nfs/dbraw/zinc/27/49/83/1440274983.db2.gz NGZPSRKHJFVLRN-INIZCTEOSA-N 2 2 334.508 3.139 20 0 EGADLP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001753279110 1440346915 /nfs/dbraw/zinc/34/69/15/1440346915.db2.gz ASKPZTFDHWQHMU-DLBZAZTESA-N 2 2 348.535 3.487 20 0 EGADLP C[C@H](CC(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001753279113 1440346932 /nfs/dbraw/zinc/34/69/32/1440346932.db2.gz ASKPZTFDHWQHMU-SJORKVTESA-N 2 2 348.535 3.487 20 0 EGADLP C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001753280616 1440347227 /nfs/dbraw/zinc/34/72/27/1440347227.db2.gz IMJYXDWLSMYQPU-INIZCTEOSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001753280617 1440347240 /nfs/dbraw/zinc/34/72/40/1440347240.db2.gz IMJYXDWLSMYQPU-MRXNPFEDSA-N 2 2 348.535 3.006 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001753317287 1440360363 /nfs/dbraw/zinc/36/03/63/1440360363.db2.gz LETGLIASMAGVDA-OMVNSRBRSA-N 2 2 346.862 3.242 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001753317287 1440360364 /nfs/dbraw/zinc/36/03/64/1440360364.db2.gz LETGLIASMAGVDA-OMVNSRBRSA-N 2 2 346.862 3.242 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001753317286 1440360385 /nfs/dbraw/zinc/36/03/85/1440360385.db2.gz LETGLIASMAGVDA-BYPUDFOVSA-N 2 2 346.862 3.242 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001753317286 1440360386 /nfs/dbraw/zinc/36/03/86/1440360386.db2.gz LETGLIASMAGVDA-BYPUDFOVSA-N 2 2 346.862 3.242 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001753458549 1440409424 /nfs/dbraw/zinc/40/94/24/1440409424.db2.gz ILMVZDSQWBCDOS-IEBWSBKVSA-N 2 2 344.503 3.257 20 0 EGADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001753458549 1440409425 /nfs/dbraw/zinc/40/94/25/1440409425.db2.gz ILMVZDSQWBCDOS-IEBWSBKVSA-N 2 2 344.503 3.257 20 0 EGADLP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001753537586 1440432937 /nfs/dbraw/zinc/43/29/37/1440432937.db2.gz MONMLCLGOMIFLV-XLIONFOSSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CCC(CC[NH2+]CC(C)C)CC3)ccn12 ZINC001753569694 1440438229 /nfs/dbraw/zinc/43/82/29/1440438229.db2.gz ZZBXLZIZOGSUHU-UHFFFAOYSA-N 2 2 342.487 3.131 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001753580660 1440440126 /nfs/dbraw/zinc/44/01/26/1440440126.db2.gz MUIXRMINEQUKFL-IYARVYRRSA-N 2 2 340.471 3.240 20 0 EGADLP CC(C)CC[NH+]1CCC(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001753598815 1440445729 /nfs/dbraw/zinc/44/57/29/1440445729.db2.gz SUDFFHUSBZCDHA-KRWDZBQOSA-N 2 2 334.508 3.099 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C)c[nH+]1 ZINC001753621466 1440450606 /nfs/dbraw/zinc/45/06/06/1440450606.db2.gz NRUXOSCSLDJBFA-HNNXBMFYSA-N 2 2 336.524 3.095 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001753757008 1440483337 /nfs/dbraw/zinc/48/33/37/1440483337.db2.gz LXVBJJHWZFOBLD-DLBZAZTESA-N 2 2 342.487 3.211 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]C/C=C/c3ccccc3)ccn12 ZINC001754225252 1440553045 /nfs/dbraw/zinc/55/30/45/1440553045.db2.gz PFFCKAALMQNBCH-YXMGTMDOSA-N 2 2 348.450 3.064 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001754283326 1440563552 /nfs/dbraw/zinc/56/35/52/1440563552.db2.gz JRAZEPMGSKAXEX-JKSUJKDBSA-N 2 2 325.456 3.476 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754285872 1440564237 /nfs/dbraw/zinc/56/42/37/1440564237.db2.gz PKQZUGYWEBLHLA-GJZGRUSLSA-N 2 2 348.878 3.091 20 0 EGADLP C[C@H]([NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1cccc(F)c1 ZINC001754408077 1440595894 /nfs/dbraw/zinc/59/58/94/1440595894.db2.gz WBBOZOFZPAOEJR-AWEZNQCLSA-N 2 2 346.450 3.026 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1)n1cc[nH+]c1 ZINC001754698143 1440667400 /nfs/dbraw/zinc/66/74/00/1440667400.db2.gz JMJHUPGFCIFSMZ-AZUAARDMSA-N 2 2 346.519 3.099 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@](C)(C[NH2+]CCC(C)(C)C)C2)c[nH+]1 ZINC001754698760 1440667553 /nfs/dbraw/zinc/66/75/53/1440667553.db2.gz SATXCHKJUYOFHB-HXUWFJFHSA-N 2 2 348.535 3.191 20 0 EGADLP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001754720466 1440672933 /nfs/dbraw/zinc/67/29/33/1440672933.db2.gz MWMWTPAYOJZQCZ-KRWDZBQOSA-N 2 2 348.535 3.271 20 0 EGADLP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754797641 1440689918 /nfs/dbraw/zinc/68/99/18/1440689918.db2.gz RSVIQDVUDULDET-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871831 1440705374 /nfs/dbraw/zinc/70/53/74/1440705374.db2.gz MVIQKCMCHLJJMH-OALUTQOASA-N 2 2 346.519 3.309 20 0 EGADLP CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001754871831 1440705375 /nfs/dbraw/zinc/70/53/75/1440705375.db2.gz MVIQKCMCHLJJMH-OALUTQOASA-N 2 2 346.519 3.309 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001754918002 1440708938 /nfs/dbraw/zinc/70/89/38/1440708938.db2.gz BERHXUOGAYJUEN-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001754918002 1440708939 /nfs/dbraw/zinc/70/89/39/1440708939.db2.gz BERHXUOGAYJUEN-GOSISDBHSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001755034129 1440733370 /nfs/dbraw/zinc/73/33/70/1440733370.db2.gz LWEPWEBGPZLMCN-SFHVURJKSA-N 2 2 334.508 3.070 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001755034129 1440733371 /nfs/dbraw/zinc/73/33/71/1440733371.db2.gz LWEPWEBGPZLMCN-SFHVURJKSA-N 2 2 334.508 3.070 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)CCC3CCCC3)ccn12 ZINC001755300259 1440808071 /nfs/dbraw/zinc/80/80/71/1440808071.db2.gz NDCBEKZGBSCKSY-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)CCC3CCCC3)ccn12 ZINC001755300259 1440808072 /nfs/dbraw/zinc/80/80/72/1440808072.db2.gz NDCBEKZGBSCKSY-HNNXBMFYSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530602 1440867092 /nfs/dbraw/zinc/86/70/92/1440867092.db2.gz JOGJUBQGTJMLMH-IEBWSBKVSA-N 2 2 348.535 3.439 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001755530602 1440867093 /nfs/dbraw/zinc/86/70/93/1440867093.db2.gz JOGJUBQGTJMLMH-IEBWSBKVSA-N 2 2 348.535 3.439 20 0 EGADLP CC/C=C\CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755563246 1440875011 /nfs/dbraw/zinc/87/50/11/1440875011.db2.gz GHLHLZCBBWTGCH-PYTPGESOSA-N 2 2 340.471 3.131 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576988 168376470 /nfs/dbraw/zinc/37/64/70/168376470.db2.gz UBVKYMFPZYBNQU-DOTOQJQBSA-N 2 2 343.446 3.402 20 0 EGADLP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576988 168376473 /nfs/dbraw/zinc/37/64/73/168376473.db2.gz UBVKYMFPZYBNQU-DOTOQJQBSA-N 2 2 343.446 3.402 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000181074979 529898802 /nfs/dbraw/zinc/89/88/02/529898802.db2.gz NZUZHKUILWAGOQ-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000181074979 529898803 /nfs/dbraw/zinc/89/88/03/529898803.db2.gz NZUZHKUILWAGOQ-UHFFFAOYSA-N 2 2 329.444 3.361 20 0 EGADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(F)cc2F)c2ccccc2)CC1 ZINC000069171325 215366645 /nfs/dbraw/zinc/36/66/45/215366645.db2.gz SKHBKFFGLQULKC-FQEVSTJZSA-N 2 2 345.437 3.043 20 0 EGADLP C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000184243809 235344878 /nfs/dbraw/zinc/34/48/78/235344878.db2.gz UJUIVVRZBQYDRW-INIZCTEOSA-N 2 2 340.471 3.349 20 0 EGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377752783 242081096 /nfs/dbraw/zinc/08/10/96/242081096.db2.gz YCCUIMWLKQNAGV-JKSUJKDBSA-N 2 2 338.455 3.405 20 0 EGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCCOC1 ZINC000356860365 296119399 /nfs/dbraw/zinc/11/93/99/296119399.db2.gz YUSDCPQFOGSACZ-WSTZPKSXSA-N 2 2 346.515 3.291 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100890 299395647 /nfs/dbraw/zinc/39/56/47/299395647.db2.gz IUQIHWLFPKXCFI-JJRVBVJISA-N 2 2 348.491 3.035 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100890 299395650 /nfs/dbraw/zinc/39/56/50/299395650.db2.gz IUQIHWLFPKXCFI-JJRVBVJISA-N 2 2 348.491 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1OC(F)F ZINC000303217898 296131518 /nfs/dbraw/zinc/13/15/18/296131518.db2.gz GFWGYNDBOIHQMU-CABCVRRESA-N 2 2 342.430 3.031 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100891 299395906 /nfs/dbraw/zinc/39/59/06/299395906.db2.gz IUQIHWLFPKXCFI-VBQJREDUSA-N 2 2 348.491 3.035 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000368100891 299395908 /nfs/dbraw/zinc/39/59/08/299395908.db2.gz IUQIHWLFPKXCFI-VBQJREDUSA-N 2 2 348.491 3.035 20 0 EGADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000262657994 245105195 /nfs/dbraw/zinc/10/51/95/245105195.db2.gz MVKMXNXOTQTWRA-MSOLQXFVSA-N 2 2 345.874 3.067 20 0 EGADLP c1cc2[nH+]ccc(NCc3ccc[nH+]c3N3CCOCC3)c2s1 ZINC000266100772 248097563 /nfs/dbraw/zinc/09/75/63/248097563.db2.gz HSNVAWGYBSKJTQ-UHFFFAOYSA-N 2 2 326.425 3.140 20 0 EGADLP CCOc1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000378374768 169109714 /nfs/dbraw/zinc/10/97/14/169109714.db2.gz WDTADFGINATFGG-HKUYNNGSSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)nn1CC(C)C ZINC000378374768 169109716 /nfs/dbraw/zinc/10/97/16/169109716.db2.gz WDTADFGINATFGG-HKUYNNGSSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)nn1CC(C)C ZINC000378374768 169109717 /nfs/dbraw/zinc/10/97/17/169109717.db2.gz WDTADFGINATFGG-HKUYNNGSSA-N 2 2 348.535 3.162 20 0 EGADLP CCOc1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)nn1CC(C)C ZINC000378374768 169109719 /nfs/dbraw/zinc/10/97/19/169109719.db2.gz WDTADFGINATFGG-HKUYNNGSSA-N 2 2 348.535 3.162 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043401 218108600 /nfs/dbraw/zinc/10/86/00/218108600.db2.gz ZRVPNHQSROQERQ-YJBOKZPZSA-N 2 2 328.435 3.132 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043401 218108601 /nfs/dbraw/zinc/10/86/01/218108601.db2.gz ZRVPNHQSROQERQ-YJBOKZPZSA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043401 218108604 /nfs/dbraw/zinc/10/86/04/218108604.db2.gz ZRVPNHQSROQERQ-YJBOKZPZSA-N 2 2 328.435 3.132 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@@H]21 ZINC000092043401 218108608 /nfs/dbraw/zinc/10/86/08/218108608.db2.gz ZRVPNHQSROQERQ-YJBOKZPZSA-N 2 2 328.435 3.132 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092659287 218157064 /nfs/dbraw/zinc/15/70/64/218157064.db2.gz XDLYJLVRPBAFAN-UHFFFAOYSA-N 2 2 328.435 3.460 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000093597205 218233991 /nfs/dbraw/zinc/23/39/91/218233991.db2.gz MIFSJINNNGLLGV-AWEZNQCLSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000093597205 218233994 /nfs/dbraw/zinc/23/39/94/218233994.db2.gz MIFSJINNNGLLGV-AWEZNQCLSA-N 2 2 340.414 3.214 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563827 218232572 /nfs/dbraw/zinc/23/25/72/218232572.db2.gz YOPVQBTYGSBDTG-IBGZPJMESA-N 2 2 328.504 3.132 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563827 218232575 /nfs/dbraw/zinc/23/25/75/218232575.db2.gz YOPVQBTYGSBDTG-IBGZPJMESA-N 2 2 328.504 3.132 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095419956 218360793 /nfs/dbraw/zinc/36/07/93/218360793.db2.gz BXAONUHXPBFGCW-INIZCTEOSA-N 2 2 331.423 3.413 20 0 EGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000095421830 218364003 /nfs/dbraw/zinc/36/40/03/218364003.db2.gz ORCNEHQNGZBDOC-KRWDZBQOSA-N 2 2 339.483 3.363 20 0 EGADLP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000268775434 252225798 /nfs/dbraw/zinc/22/57/98/252225798.db2.gz GQZWIXXTNPRNDT-SFHVURJKSA-N 2 2 334.423 3.361 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268809849 252263282 /nfs/dbraw/zinc/26/32/82/252263282.db2.gz KMXKZJUIAKNIGF-INIZCTEOSA-N 2 2 326.488 3.086 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000268846729 252293574 /nfs/dbraw/zinc/29/35/74/252293574.db2.gz JHYGKBUGQKZLLM-UHFFFAOYSA-N 3 2 346.906 3.489 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000268848139 252295411 /nfs/dbraw/zinc/29/54/11/252295411.db2.gz CAFCOJHQCFVAIS-ZBFHGGJFSA-N 2 2 334.460 3.199 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000268866414 252314557 /nfs/dbraw/zinc/31/45/57/252314557.db2.gz SWNIFRGTZRYDKE-ZBFHGGJFSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000268866414 252314561 /nfs/dbraw/zinc/31/45/61/252314561.db2.gz SWNIFRGTZRYDKE-ZBFHGGJFSA-N 2 2 332.879 3.216 20 0 EGADLP CCC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)Nc1ccccc1OC ZINC000268875777 252324096 /nfs/dbraw/zinc/32/40/96/252324096.db2.gz VLNJWGUBBAWIHE-KRWDZBQOSA-N 2 2 347.503 3.220 20 0 EGADLP CCC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)Nc1ccccc1OC ZINC000268875777 252324099 /nfs/dbraw/zinc/32/40/99/252324099.db2.gz VLNJWGUBBAWIHE-KRWDZBQOSA-N 2 2 347.503 3.220 20 0 EGADLP CCC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1ccccc1OC ZINC000268875777 252324102 /nfs/dbraw/zinc/32/41/02/252324102.db2.gz VLNJWGUBBAWIHE-KRWDZBQOSA-N 2 2 347.503 3.220 20 0 EGADLP CCC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)Nc1ccccc1OC ZINC000268875777 252324104 /nfs/dbraw/zinc/32/41/04/252324104.db2.gz VLNJWGUBBAWIHE-KRWDZBQOSA-N 2 2 347.503 3.220 20 0 EGADLP Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1F ZINC000153421631 224101858 /nfs/dbraw/zinc/10/18/58/224101858.db2.gz NNWXHKJKMYBDBD-UHFFFAOYSA-N 2 2 346.421 3.467 20 0 EGADLP O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112627664 220359231 /nfs/dbraw/zinc/35/92/31/220359231.db2.gz OXBNWQPGVAOWPB-UHFFFAOYSA-N 2 2 337.423 3.231 20 0 EGADLP CCOc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328650213 258020066 /nfs/dbraw/zinc/02/00/66/258020066.db2.gz VKCVJJLOJXMOMT-QGZVFWFLSA-N 2 2 345.512 3.462 20 0 EGADLP CCOc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328650213 258020068 /nfs/dbraw/zinc/02/00/68/258020068.db2.gz VKCVJJLOJXMOMT-QGZVFWFLSA-N 2 2 345.512 3.462 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993488 533420708 /nfs/dbraw/zinc/42/07/08/533420708.db2.gz NNYXUFFEITUUOK-MNOVXSKESA-N 2 2 342.256 3.118 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993488 533420712 /nfs/dbraw/zinc/42/07/12/533420712.db2.gz NNYXUFFEITUUOK-MNOVXSKESA-N 2 2 342.256 3.118 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344516022 141167986 /nfs/dbraw/zinc/16/79/86/141167986.db2.gz FDZOHEOSIIMHGU-LKUPVBHCSA-N 2 2 340.467 3.130 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344516022 141167987 /nfs/dbraw/zinc/16/79/87/141167987.db2.gz FDZOHEOSIIMHGU-LKUPVBHCSA-N 2 2 340.467 3.130 20 0 EGADLP CCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000344546513 141171082 /nfs/dbraw/zinc/17/10/82/141171082.db2.gz TWTMMMCFGHNJJW-MRXNPFEDSA-N 2 2 329.444 3.266 20 0 EGADLP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000346619800 141205915 /nfs/dbraw/zinc/20/59/15/141205915.db2.gz DVFANFZYLVUUEO-CABCVRRESA-N 2 2 341.459 3.034 20 0 EGADLP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000346619800 141205916 /nfs/dbraw/zinc/20/59/16/141205916.db2.gz DVFANFZYLVUUEO-CABCVRRESA-N 2 2 341.459 3.034 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000347908112 141213784 /nfs/dbraw/zinc/21/37/84/141213784.db2.gz KTXZLTGFYUQKKM-IBGZPJMESA-N 2 2 325.456 3.132 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000353343893 141291252 /nfs/dbraw/zinc/29/12/52/141291252.db2.gz YPBDOBRJNHGGSI-LPHOPBHVSA-N 2 2 347.503 3.185 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)cc2n1C ZINC000354605312 141314085 /nfs/dbraw/zinc/31/40/85/141314085.db2.gz QXHPPXRRGNYPND-OAHLLOKOSA-N 2 2 342.487 3.266 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cc2n1C ZINC000354605312 141314086 /nfs/dbraw/zinc/31/40/86/141314086.db2.gz QXHPPXRRGNYPND-OAHLLOKOSA-N 2 2 342.487 3.266 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000359636666 141393718 /nfs/dbraw/zinc/39/37/18/141393718.db2.gz HHWUXPISQVMSBF-PVAVHDDUSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000359636666 141393720 /nfs/dbraw/zinc/39/37/20/141393720.db2.gz HHWUXPISQVMSBF-PVAVHDDUSA-N 2 2 344.421 3.333 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)Oc1ccccc1F ZINC000127630544 143954593 /nfs/dbraw/zinc/95/45/93/143954593.db2.gz NLWZQPZWWRGNGV-INIZCTEOSA-N 2 2 343.446 3.242 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732891 144098157 /nfs/dbraw/zinc/09/81/57/144098157.db2.gz VDRYNZUPHRVAIA-OAHLLOKOSA-N 2 2 347.532 3.178 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)s1 ZINC000184732891 144098158 /nfs/dbraw/zinc/09/81/58/144098158.db2.gz VDRYNZUPHRVAIA-OAHLLOKOSA-N 2 2 347.532 3.178 20 0 EGADLP CN(Cc1ccccc1)[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000185221259 144107918 /nfs/dbraw/zinc/10/79/18/144107918.db2.gz QKMDZUBNHGYCPA-FQEVSTJZSA-N 2 2 334.467 3.335 20 0 EGADLP Cc1ccc(CC[NH+](Cc2ccco2)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351516241 144273427 /nfs/dbraw/zinc/27/34/27/144273427.db2.gz FEKOIJDDOVOWOL-FQEVSTJZSA-N 2 2 342.483 3.088 20 0 EGADLP Cc1ccc(CC[NH+](Cc2ccco2)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351516241 144273429 /nfs/dbraw/zinc/27/34/29/144273429.db2.gz FEKOIJDDOVOWOL-FQEVSTJZSA-N 2 2 342.483 3.088 20 0 EGADLP Cc1ccc(CC[N@@H+](Cc2ccco2)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351516241 144273432 /nfs/dbraw/zinc/27/34/32/144273432.db2.gz FEKOIJDDOVOWOL-FQEVSTJZSA-N 2 2 342.483 3.088 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540478 144276401 /nfs/dbraw/zinc/27/64/01/144276401.db2.gz WAGJSFBYTYYUBO-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540478 144276403 /nfs/dbraw/zinc/27/64/03/144276403.db2.gz WAGJSFBYTYYUBO-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540478 144276405 /nfs/dbraw/zinc/27/64/05/144276405.db2.gz WAGJSFBYTYYUBO-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000351540478 144276406 /nfs/dbraw/zinc/27/64/06/144276406.db2.gz WAGJSFBYTYYUBO-SFHVURJKSA-N 2 2 338.442 3.165 20 0 EGADLP Cn1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(-c2ccccc2)n1 ZINC000351551666 144278333 /nfs/dbraw/zinc/27/83/33/144278333.db2.gz ZRAKRPJBFSPZQH-UHFFFAOYSA-N 2 2 344.422 3.339 20 0 EGADLP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351730175 144298069 /nfs/dbraw/zinc/29/80/69/144298069.db2.gz LULUTNJRJRJUOJ-GOSISDBHSA-N 2 2 334.423 3.135 20 0 EGADLP Cn1nccc1-c1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351730175 144298070 /nfs/dbraw/zinc/29/80/70/144298070.db2.gz LULUTNJRJRJUOJ-GOSISDBHSA-N 2 2 334.423 3.135 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000351866343 144317951 /nfs/dbraw/zinc/31/79/51/144317951.db2.gz RLOGPMVIMMBDEF-SGMGOOAPSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000351866343 144317952 /nfs/dbraw/zinc/31/79/52/144317952.db2.gz RLOGPMVIMMBDEF-SGMGOOAPSA-N 2 2 334.851 3.044 20 0 EGADLP Cc1ccn2c(CN3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c2c1 ZINC000352284995 144322726 /nfs/dbraw/zinc/32/27/26/144322726.db2.gz CSIFNQWEVWKONC-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP Cc1ccn2c(CN3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c[nH+]c2c1 ZINC000352284995 144322728 /nfs/dbraw/zinc/32/27/28/144322728.db2.gz CSIFNQWEVWKONC-KSZLIROESA-N 2 2 326.488 3.480 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679715 144349743 /nfs/dbraw/zinc/34/97/43/144349743.db2.gz XXRZZPYTEUZZOC-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679715 144349745 /nfs/dbraw/zinc/34/97/45/144349745.db2.gz XXRZZPYTEUZZOC-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679715 144349746 /nfs/dbraw/zinc/34/97/46/144349746.db2.gz XXRZZPYTEUZZOC-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000361679715 144349748 /nfs/dbraw/zinc/34/97/48/144349748.db2.gz XXRZZPYTEUZZOC-GOEBONIOSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C)CCC2 ZINC000363755893 144362835 /nfs/dbraw/zinc/36/28/35/144362835.db2.gz GLGGQFQPYAIURX-DOTOQJQBSA-N 2 2 340.471 3.384 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341136741 155183452 /nfs/dbraw/zinc/18/34/52/155183452.db2.gz NJHZJMYZCRDCIB-LBPRGKRZSA-N 2 2 338.814 3.025 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341136741 155183454 /nfs/dbraw/zinc/18/34/54/155183454.db2.gz NJHZJMYZCRDCIB-LBPRGKRZSA-N 2 2 338.814 3.025 20 0 EGADLP C[NH+](C)CC[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C(C)(C)C ZINC000116395782 152058454 /nfs/dbraw/zinc/05/84/54/152058454.db2.gz BDZHEXVJYGUJDE-QZTJIDSGSA-N 2 2 349.494 3.101 20 0 EGADLP C[N@H+](CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000117751565 152113337 /nfs/dbraw/zinc/11/33/37/152113337.db2.gz LNJHVNZRXIKUMQ-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP C[N@@H+](CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1)C1CCCCC1 ZINC000117751565 152113340 /nfs/dbraw/zinc/11/33/40/152113340.db2.gz LNJHVNZRXIKUMQ-UHFFFAOYSA-N 2 2 340.471 3.257 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000120903961 152309598 /nfs/dbraw/zinc/30/95/98/152309598.db2.gz AFHZZOYRFQUQLB-UHFFFAOYSA-N 2 2 347.466 3.411 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000121366151 152346085 /nfs/dbraw/zinc/34/60/85/152346085.db2.gz PMGRRUYANKVCIT-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000121366151 152346087 /nfs/dbraw/zinc/34/60/87/152346087.db2.gz PMGRRUYANKVCIT-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000121366151 152346089 /nfs/dbraw/zinc/34/60/89/152346089.db2.gz PMGRRUYANKVCIT-GOSISDBHSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000121610686 152362691 /nfs/dbraw/zinc/36/26/91/152362691.db2.gz TVIMMDFLEWZMIO-UHFFFAOYSA-N 2 2 342.418 3.315 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000191070187 153175147 /nfs/dbraw/zinc/17/51/47/153175147.db2.gz LHGMYAQFSYTQCY-IBGZPJMESA-N 2 2 348.491 3.167 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000191901384 153229258 /nfs/dbraw/zinc/22/92/58/153229258.db2.gz NKBWEBDZQAHREM-UHFFFAOYSA-N 2 2 334.423 3.251 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000191901384 153229264 /nfs/dbraw/zinc/22/92/64/153229264.db2.gz NKBWEBDZQAHREM-UHFFFAOYSA-N 2 2 334.423 3.251 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(CC)CC ZINC000344180681 286383695 /nfs/dbraw/zinc/38/36/95/286383695.db2.gz YACLLSFHQRLEJK-ZWKOTPCHSA-N 2 2 340.552 3.449 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261561922 153680567 /nfs/dbraw/zinc/68/05/67/153680567.db2.gz GFNLPPQWQWIDJL-PXNSSMCTSA-N 2 2 340.467 3.122 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191390 154090203 /nfs/dbraw/zinc/09/02/03/154090203.db2.gz YGPBLTOUBVXGHQ-AZUAARDMSA-N 2 2 345.531 3.215 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CCO)CCCCC1 ZINC000305191390 154090210 /nfs/dbraw/zinc/09/02/10/154090210.db2.gz YGPBLTOUBVXGHQ-AZUAARDMSA-N 2 2 345.531 3.215 20 0 EGADLP Nc1[nH+]cnc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000310478761 154142513 /nfs/dbraw/zinc/14/25/13/154142513.db2.gz CLEXWECLMRJLTF-OAHLLOKOSA-N 2 2 345.878 3.426 20 0 EGADLP Nc1[nH+]cnc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000310478761 154142516 /nfs/dbraw/zinc/14/25/16/154142516.db2.gz CLEXWECLMRJLTF-OAHLLOKOSA-N 2 2 345.878 3.426 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000321678366 154168490 /nfs/dbraw/zinc/16/84/90/154168490.db2.gz TWUXLTWSTUFZKJ-AEGPPILISA-N 2 2 337.533 3.263 20 0 EGADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000321678366 154168494 /nfs/dbraw/zinc/16/84/94/154168494.db2.gz TWUXLTWSTUFZKJ-AEGPPILISA-N 2 2 337.533 3.263 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@@H](C)O1 ZINC000337340106 154294671 /nfs/dbraw/zinc/29/46/71/154294671.db2.gz PCLGLHCWTNFEHE-SOAMZJECSA-N 2 2 331.504 3.197 20 0 EGADLP Cc1nc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2s1 ZINC000337412391 154340429 /nfs/dbraw/zinc/34/04/29/154340429.db2.gz REEFQULUUPFOFP-QGZVFWFLSA-N 2 2 345.512 3.149 20 0 EGADLP Cc1nc2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2s1 ZINC000337412391 154340432 /nfs/dbraw/zinc/34/04/32/154340432.db2.gz REEFQULUUPFOFP-QGZVFWFLSA-N 2 2 345.512 3.149 20 0 EGADLP C[C@@H](CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442894 154354674 /nfs/dbraw/zinc/35/46/74/154354674.db2.gz GUUALHNDTLPCQS-PZJWPPBQSA-N 2 2 346.515 3.026 20 0 EGADLP C[C@@H](CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OCc1ccccc1 ZINC000337442894 154354678 /nfs/dbraw/zinc/35/46/78/154354678.db2.gz GUUALHNDTLPCQS-PZJWPPBQSA-N 2 2 346.515 3.026 20 0 EGADLP Brc1c[nH+]ccc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000339970177 155055524 /nfs/dbraw/zinc/05/55/24/155055524.db2.gz ZXYGOWLCIWMLDJ-UHFFFAOYSA-N 2 2 347.260 3.263 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@H](C[NH3+])C1 ZINC000346851376 156165139 /nfs/dbraw/zinc/16/51/39/156165139.db2.gz JIGJEGNREWDSQN-HOTGVXAUSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)[C@H](C[NH3+])C1 ZINC000346851376 156165142 /nfs/dbraw/zinc/16/51/42/156165142.db2.gz JIGJEGNREWDSQN-HOTGVXAUSA-N 2 2 334.460 3.492 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)c1OC(F)F ZINC000347001297 156238429 /nfs/dbraw/zinc/23/84/29/156238429.db2.gz HIMYWZCDXXIHNB-ZDUSSCGKSA-N 2 2 328.403 3.118 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)c1OC(F)F ZINC000347001297 156238432 /nfs/dbraw/zinc/23/84/32/156238432.db2.gz HIMYWZCDXXIHNB-ZDUSSCGKSA-N 2 2 328.403 3.118 20 0 EGADLP C[NH+](C)CCN(Cc1cccc(F)c1)Cc1cccc2[nH+]ccn21 ZINC000349058924 156337709 /nfs/dbraw/zinc/33/77/09/156337709.db2.gz AIOMMVSRJHKQHU-UHFFFAOYSA-N 2 2 326.419 3.037 20 0 EGADLP C[C@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000359665475 298383734 /nfs/dbraw/zinc/38/37/34/298383734.db2.gz SYRZNQGPPZSGQE-CQSZACIVSA-N 3 2 335.458 3.256 20 0 EGADLP Cc1[nH+]cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)n1-c1ccccc1 ZINC000093660058 162018852 /nfs/dbraw/zinc/01/88/52/162018852.db2.gz WLFKNMRIQNCNBV-SFHVURJKSA-N 2 2 326.488 3.487 20 0 EGADLP Cc1[nH+]cc(CN(C)CC[C@@H]2CCCC[N@H+]2C)n1-c1ccccc1 ZINC000093660058 162018855 /nfs/dbraw/zinc/01/88/55/162018855.db2.gz WLFKNMRIQNCNBV-SFHVURJKSA-N 2 2 326.488 3.487 20 0 EGADLP CC(C)[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000109793161 162112380 /nfs/dbraw/zinc/11/23/80/162112380.db2.gz SFPJJJKWEIPLRK-FQEVSTJZSA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)[NH+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112212220 162167839 /nfs/dbraw/zinc/16/78/39/162167839.db2.gz FIXPAJKZCMTBQZ-UHFFFAOYSA-N 2 2 340.427 3.432 20 0 EGADLP Cc1ccc(O[C@H](C)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000126370919 162300473 /nfs/dbraw/zinc/30/04/73/162300473.db2.gz QXTMCOGMVQRNRP-GOSISDBHSA-N 2 2 339.483 3.412 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337276778 163191355 /nfs/dbraw/zinc/19/13/55/163191355.db2.gz REFKLZSQFPIKHH-IBGZPJMESA-N 2 2 331.504 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337276778 163191357 /nfs/dbraw/zinc/19/13/57/163191357.db2.gz REFKLZSQFPIKHH-IBGZPJMESA-N 2 2 331.504 3.062 20 0 EGADLP CCc1oc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1C(=O)OC ZINC000338939815 163394480 /nfs/dbraw/zinc/39/44/80/163394480.db2.gz PEPRONXWIIUANI-UHFFFAOYSA-N 2 2 341.411 3.077 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000345863379 164281989 /nfs/dbraw/zinc/28/19/89/164281989.db2.gz WEWNBZFWNUMAOP-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP C[N@H+](Cc1cccc(Br)c1OC(F)F)C1CC[NH2+]CC1 ZINC000347159020 164452823 /nfs/dbraw/zinc/45/28/23/164452823.db2.gz GDLULBUFMXVQNP-UHFFFAOYSA-N 2 2 349.219 3.234 20 0 EGADLP C[N@@H+](Cc1cccc(Br)c1OC(F)F)C1CC[NH2+]CC1 ZINC000347159020 164452824 /nfs/dbraw/zinc/45/28/24/164452824.db2.gz GDLULBUFMXVQNP-UHFFFAOYSA-N 2 2 349.219 3.234 20 0 EGADLP CC[NH+]1CCN(c2cccc(NCc3c(C)[nH+]c4ccccn43)c2)CC1 ZINC000354916410 166062560 /nfs/dbraw/zinc/06/25/60/166062560.db2.gz GSZGLUWVULGJJR-UHFFFAOYSA-N 2 2 349.482 3.397 20 0 EGADLP Cc1cc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900637 165142457 /nfs/dbraw/zinc/14/24/57/165142457.db2.gz VMNBKKIHKMNEJH-LPHOPBHVSA-N 2 2 336.483 3.407 20 0 EGADLP Cc1cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000351900637 165142459 /nfs/dbraw/zinc/14/24/59/165142459.db2.gz VMNBKKIHKMNEJH-LPHOPBHVSA-N 2 2 336.483 3.407 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)Cn1cc[nH+]c1 ZINC000352261245 165315713 /nfs/dbraw/zinc/31/57/13/165315713.db2.gz MZUOLNHQTRUTAH-CQSZACIVSA-N 2 2 328.441 3.448 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352340201 165353412 /nfs/dbraw/zinc/35/34/12/165353412.db2.gz CEFRUQNJJHCVQZ-ZBFHGGJFSA-N 2 2 330.394 3.033 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352340201 165353415 /nfs/dbraw/zinc/35/34/15/165353415.db2.gz CEFRUQNJJHCVQZ-ZBFHGGJFSA-N 2 2 330.394 3.033 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000352364564 165364566 /nfs/dbraw/zinc/36/45/66/165364566.db2.gz FXKCHSYNXXKFEX-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP CC(C)Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000355292425 166155650 /nfs/dbraw/zinc/15/56/50/166155650.db2.gz PAVXXYKYLJRIAV-SFTDATJTSA-N 2 2 338.499 3.103 20 0 EGADLP CC[C@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@H+](C)Cc1ccccc1 ZINC000355394980 166183884 /nfs/dbraw/zinc/18/38/84/166183884.db2.gz CSJQLNKVVWUFDG-GOSISDBHSA-N 2 2 336.439 3.492 20 0 EGADLP CC[C@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@@H+](C)Cc1ccccc1 ZINC000355394980 166183885 /nfs/dbraw/zinc/18/38/85/166183885.db2.gz CSJQLNKVVWUFDG-GOSISDBHSA-N 2 2 336.439 3.492 20 0 EGADLP C[NH+](C)Cc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3)n2)cc1 ZINC000355591964 166254253 /nfs/dbraw/zinc/25/42/53/166254253.db2.gz YJFLQGXWLCTRJU-UHFFFAOYSA-N 2 2 336.439 3.430 20 0 EGADLP C[NH+](C)Cc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3)n2)cc1 ZINC000355591964 166254257 /nfs/dbraw/zinc/25/42/57/166254257.db2.gz YJFLQGXWLCTRJU-UHFFFAOYSA-N 2 2 336.439 3.430 20 0 EGADLP Fc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000359192579 167092531 /nfs/dbraw/zinc/09/25/31/167092531.db2.gz PQKULFVMBBRVAA-QGZVFWFLSA-N 2 2 326.843 3.242 20 0 EGADLP Fc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000359192579 167092533 /nfs/dbraw/zinc/09/25/33/167092533.db2.gz PQKULFVMBBRVAA-QGZVFWFLSA-N 2 2 326.843 3.242 20 0 EGADLP Cc1cc(NC(=O)[C@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245953 167281389 /nfs/dbraw/zinc/28/13/89/167281389.db2.gz RDJYQIIXYRIATF-NQIIRXRSSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1cc(NC(=O)[C@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000360245953 167281392 /nfs/dbraw/zinc/28/13/92/167281392.db2.gz RDJYQIIXYRIATF-NQIIRXRSSA-N 2 2 335.451 3.053 20 0 EGADLP Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cnn1C(C)(C)C ZINC000364913683 168000282 /nfs/dbraw/zinc/00/02/82/168000282.db2.gz HSEDUJZWNHCCPH-AWEZNQCLSA-N 2 2 338.459 3.378 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1N(C)C ZINC000366286962 168102474 /nfs/dbraw/zinc/10/24/74/168102474.db2.gz QWLJCEFJOBCTII-CQSZACIVSA-N 2 2 339.418 3.323 20 0 EGADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000366986989 168165064 /nfs/dbraw/zinc/16/50/64/168165064.db2.gz KSIVFYHCKQHTKF-HNNXBMFYSA-N 2 2 338.455 3.215 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013647 168168079 /nfs/dbraw/zinc/16/80/79/168168079.db2.gz AYACAYRWHSBGTI-HBFSDRIKSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(-c2ccccc2)on1 ZINC000367013647 168168081 /nfs/dbraw/zinc/16/80/81/168168081.db2.gz AYACAYRWHSBGTI-HBFSDRIKSA-N 2 2 341.455 3.025 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000367134293 168183074 /nfs/dbraw/zinc/18/30/74/168183074.db2.gz WLHDIKHODUDXNM-LBPRGKRZSA-N 2 2 333.819 3.229 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000367134293 168183076 /nfs/dbraw/zinc/18/30/76/168183076.db2.gz WLHDIKHODUDXNM-LBPRGKRZSA-N 2 2 333.819 3.229 20 0 EGADLP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000367439815 168226028 /nfs/dbraw/zinc/22/60/28/168226028.db2.gz XIFRIUHVCJZTHA-GFCCVEGCSA-N 2 2 334.489 3.024 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000367438842 168226309 /nfs/dbraw/zinc/22/63/09/168226309.db2.gz PQLITFJBDGPCQT-MRXNPFEDSA-N 2 2 340.471 3.343 20 0 EGADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000367590875 168246145 /nfs/dbraw/zinc/24/61/45/168246145.db2.gz WRYJCQAGIHVTPI-DYESRHJHSA-N 2 2 338.499 3.218 20 0 EGADLP Cc1cccc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000367590875 168246147 /nfs/dbraw/zinc/24/61/47/168246147.db2.gz WRYJCQAGIHVTPI-DYESRHJHSA-N 2 2 338.499 3.218 20 0 EGADLP c1c[nH]c([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CCCCC2)n1 ZINC000367614852 168249902 /nfs/dbraw/zinc/24/99/02/168249902.db2.gz JEZXYGKILAAMFN-APWZRJJASA-N 2 2 346.519 3.122 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000367703058 168260395 /nfs/dbraw/zinc/26/03/95/168260395.db2.gz MTJOTUNAIJDSRN-HNNXBMFYSA-N 2 2 327.428 3.055 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(-n3ccnn3)c1)CCC2 ZINC000367893965 168281419 /nfs/dbraw/zinc/28/14/19/168281419.db2.gz ANSNXSQLYKCJIY-DOTOQJQBSA-N 2 2 336.443 3.000 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000159078190 225142402 /nfs/dbraw/zinc/14/24/02/225142402.db2.gz DFOPFLSHFFGMEL-GOSISDBHSA-N 2 2 336.451 3.130 20 0 EGADLP COCc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)ccc1OC ZINC000163839909 226021888 /nfs/dbraw/zinc/02/18/88/226021888.db2.gz VBKOBTFTOZZNNJ-HNNXBMFYSA-N 2 2 329.444 3.389 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000166802993 226170572 /nfs/dbraw/zinc/17/05/72/226170572.db2.gz PIMAZCCBJWIXLT-VQTJNVASSA-N 2 2 338.499 3.232 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000166802993 226170577 /nfs/dbraw/zinc/17/05/77/226170577.db2.gz PIMAZCCBJWIXLT-VQTJNVASSA-N 2 2 338.499 3.232 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000174217068 265033082 /nfs/dbraw/zinc/03/30/82/265033082.db2.gz INMXBXFBNJGSPK-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000174217068 265033086 /nfs/dbraw/zinc/03/30/86/265033086.db2.gz INMXBXFBNJGSPK-ROUUACIJSA-N 2 2 343.515 3.018 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c3c2CCC3)cc1 ZINC000269966945 266392212 /nfs/dbraw/zinc/39/22/12/266392212.db2.gz NKMWRJHTFJDUNC-AEFFLSMTSA-N 2 2 336.483 3.077 20 0 EGADLP c1ccc(-n2nc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c3c2CCC3)cc1 ZINC000269966945 266392215 /nfs/dbraw/zinc/39/22/15/266392215.db2.gz NKMWRJHTFJDUNC-AEFFLSMTSA-N 2 2 336.483 3.077 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Br)ncc1F ZINC000273838771 267121405 /nfs/dbraw/zinc/12/14/05/267121405.db2.gz HHALWARSRAPPIZ-SNVBAGLBSA-N 2 2 332.261 3.222 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823220 267292785 /nfs/dbraw/zinc/29/27/85/267292785.db2.gz KKWCLJCDTNFOFX-PBHICJAKSA-N 2 2 348.441 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C)nc1C(F)F ZINC000274823220 267292788 /nfs/dbraw/zinc/29/27/88/267292788.db2.gz KKWCLJCDTNFOFX-PBHICJAKSA-N 2 2 348.441 3.358 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000275337064 267348002 /nfs/dbraw/zinc/34/80/02/267348002.db2.gz WMOYCEFIGFXPLH-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000275337064 267348003 /nfs/dbraw/zinc/34/80/03/267348003.db2.gz WMOYCEFIGFXPLH-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000275337064 267348006 /nfs/dbraw/zinc/34/80/06/267348006.db2.gz WMOYCEFIGFXPLH-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000275337064 267348008 /nfs/dbraw/zinc/34/80/08/267348008.db2.gz WMOYCEFIGFXPLH-DOMZBBRYSA-N 2 2 341.293 3.230 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)ccc1F ZINC000275547219 267378416 /nfs/dbraw/zinc/37/84/16/267378416.db2.gz GAXVEKLWQGSQJU-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547219 267378408 /nfs/dbraw/zinc/37/84/08/267378408.db2.gz GAXVEKLWQGSQJU-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)ccc1F ZINC000275547219 267378410 /nfs/dbraw/zinc/37/84/10/267378410.db2.gz GAXVEKLWQGSQJU-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)ccc1F ZINC000275547219 267378419 /nfs/dbraw/zinc/37/84/19/267378419.db2.gz GAXVEKLWQGSQJU-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000278535223 268033804 /nfs/dbraw/zinc/03/38/04/268033804.db2.gz UOFPSPJCODDGFE-UHFFFAOYSA-N 2 2 341.421 3.467 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000185228357 273823156 /nfs/dbraw/zinc/82/31/56/273823156.db2.gz URAPTYJQYGJDAC-INIZCTEOSA-N 2 2 330.863 3.170 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744551 274203734 /nfs/dbraw/zinc/20/37/34/274203734.db2.gz YTULQINIIGUFDD-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744551 274203736 /nfs/dbraw/zinc/20/37/36/274203736.db2.gz YTULQINIIGUFDD-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000345744551 274203738 /nfs/dbraw/zinc/20/37/38/274203738.db2.gz YTULQINIIGUFDD-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345744551 274203739 /nfs/dbraw/zinc/20/37/39/274203739.db2.gz YTULQINIIGUFDD-IRXDYDNUSA-N 2 2 339.483 3.440 20 0 EGADLP Cc1cccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccc(F)cc3)n21 ZINC000349064171 274803722 /nfs/dbraw/zinc/80/37/22/274803722.db2.gz UGROGOZMXOPJCV-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP Cc1nc(C)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000271935562 275242916 /nfs/dbraw/zinc/24/29/16/275242916.db2.gz ABGGVAVUAZTEBF-XJKSGUPXSA-N 2 2 345.516 3.468 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2csc(Br)c2)CCCO1 ZINC000277954403 275255445 /nfs/dbraw/zinc/25/54/45/275255445.db2.gz RRSIOOCEIBXUGA-LBPRGKRZSA-N 2 2 347.322 3.101 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2csc(Br)c2)CCCO1 ZINC000277954403 275255447 /nfs/dbraw/zinc/25/54/47/275255447.db2.gz RRSIOOCEIBXUGA-LBPRGKRZSA-N 2 2 347.322 3.101 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cnn1C(C)C ZINC000279049010 275299251 /nfs/dbraw/zinc/29/92/51/275299251.db2.gz XWBFIDGVXXHIIS-JCKWVBRZSA-N 2 2 331.464 3.077 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000279182966 275310404 /nfs/dbraw/zinc/31/04/04/275310404.db2.gz KJKXXZFTMYPBLV-UHFFFAOYSA-N 2 2 340.471 3.035 20 0 EGADLP Brc1cc2c(s1)CC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000340356581 275368624 /nfs/dbraw/zinc/36/86/24/275368624.db2.gz PZCXNBRYRUHIGG-ONGXEEELSA-N 2 2 338.274 3.299 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000279880885 275369594 /nfs/dbraw/zinc/36/95/94/275369594.db2.gz UPTGGXNOEQKTPU-UHFFFAOYSA-N 2 2 333.907 3.156 20 0 EGADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000280706709 275485344 /nfs/dbraw/zinc/48/53/44/275485344.db2.gz AXPAMOZDYJQKIQ-UHFFFAOYSA-N 2 2 349.438 3.120 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccncc2OCc2ccccc2)CC1 ZINC000287353300 276111306 /nfs/dbraw/zinc/11/13/06/276111306.db2.gz GXYVOUVXHZAQTF-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000287575893 276135228 /nfs/dbraw/zinc/13/52/28/276135228.db2.gz HASKZDNYFRGIIV-ZACQAIPSSA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000287575893 276135230 /nfs/dbraw/zinc/13/52/30/276135230.db2.gz HASKZDNYFRGIIV-ZACQAIPSSA-N 2 2 342.405 3.351 20 0 EGADLP Cn1c(CCC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)[nH+]c2ccccc21 ZINC000287731729 276151637 /nfs/dbraw/zinc/15/16/37/276151637.db2.gz PETIDCPOVDIQQH-WFASDCNBSA-N 2 2 341.377 3.205 20 0 EGADLP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000287810319 276159475 /nfs/dbraw/zinc/15/94/75/276159475.db2.gz PBCSSPPEKLTNDM-SJLPKXTDSA-N 2 2 345.874 3.072 20 0 EGADLP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000287810319 276159477 /nfs/dbraw/zinc/15/94/77/276159477.db2.gz PBCSSPPEKLTNDM-SJLPKXTDSA-N 2 2 345.874 3.072 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287857820 276164286 /nfs/dbraw/zinc/16/42/86/276164286.db2.gz XELDRCAJUVHKRM-KBMXLJTQSA-N 2 2 330.394 3.206 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287857820 276164287 /nfs/dbraw/zinc/16/42/87/276164287.db2.gz XELDRCAJUVHKRM-KBMXLJTQSA-N 2 2 330.394 3.206 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000358979031 276180573 /nfs/dbraw/zinc/18/05/73/276180573.db2.gz FWKXMQDNSBTGSI-ZIBCJSCZSA-N 2 2 328.500 3.204 20 0 EGADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000358979031 276180575 /nfs/dbraw/zinc/18/05/75/276180575.db2.gz FWKXMQDNSBTGSI-ZIBCJSCZSA-N 2 2 328.500 3.204 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1O ZINC000288473143 276217701 /nfs/dbraw/zinc/21/77/01/276217701.db2.gz PDNJDTFNWYCKNZ-YJBOKZPZSA-N 2 2 326.440 3.153 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391759 276332076 /nfs/dbraw/zinc/33/20/76/276332076.db2.gz NOLYEFXASUPLGF-UHOSZYNNSA-N 2 2 341.503 3.012 20 0 EGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000289391759 276332079 /nfs/dbraw/zinc/33/20/79/276332079.db2.gz NOLYEFXASUPLGF-UHOSZYNNSA-N 2 2 341.503 3.012 20 0 EGADLP COc1cncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289464736 276343195 /nfs/dbraw/zinc/34/31/95/276343195.db2.gz QKUKSIXVVXDRMH-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000289464736 276343197 /nfs/dbraw/zinc/34/31/97/276343197.db2.gz QKUKSIXVVXDRMH-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000289464736 276343198 /nfs/dbraw/zinc/34/31/98/276343198.db2.gz QKUKSIXVVXDRMH-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000289464736 276343200 /nfs/dbraw/zinc/34/32/00/276343200.db2.gz QKUKSIXVVXDRMH-NRFANRHFSA-N 2 2 337.467 3.188 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000289707121 276381332 /nfs/dbraw/zinc/38/13/32/276381332.db2.gz KQMYNCRHGRLEKC-OAHLLOKOSA-N 2 2 346.475 3.160 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166397 277060758 /nfs/dbraw/zinc/06/07/58/277060758.db2.gz OPUNVHFFHFIELS-ZBFHGGJFSA-N 2 2 338.293 3.465 20 0 EGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166397 277060759 /nfs/dbraw/zinc/06/07/59/277060759.db2.gz OPUNVHFFHFIELS-ZBFHGGJFSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166397 277060760 /nfs/dbraw/zinc/06/07/60/277060760.db2.gz OPUNVHFFHFIELS-ZBFHGGJFSA-N 2 2 338.293 3.465 20 0 EGADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166397 277060762 /nfs/dbraw/zinc/06/07/62/277060762.db2.gz OPUNVHFFHFIELS-ZBFHGGJFSA-N 2 2 338.293 3.465 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089427468 278307911 /nfs/dbraw/zinc/30/79/11/278307911.db2.gz LKDCQADMFQCEKG-NVXWUHKLSA-N 2 2 337.458 3.128 20 0 EGADLP C[C@H](c1ccc(F)cc1F)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089427468 278307912 /nfs/dbraw/zinc/30/79/12/278307912.db2.gz LKDCQADMFQCEKG-NVXWUHKLSA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000375503014 288065951 /nfs/dbraw/zinc/06/59/51/288065951.db2.gz PQXMFOMEDAZDNR-HDMKZQKVSA-N 2 2 346.862 3.134 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)C[C@H](C)O1 ZINC000181926243 279855519 /nfs/dbraw/zinc/85/55/19/279855519.db2.gz JBCSCYITSKPUQM-RLFYNMQTSA-N 2 2 336.451 3.128 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342703946 280044258 /nfs/dbraw/zinc/04/42/58/280044258.db2.gz KFHQHEBOSWNVAB-PBHICJAKSA-N 2 2 338.455 3.213 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801666 280189491 /nfs/dbraw/zinc/18/94/91/280189491.db2.gz FDQNATQRKSWRFM-CZUORRHYSA-N 2 2 330.303 3.280 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)cc1Cl ZINC000068801666 280189494 /nfs/dbraw/zinc/18/94/94/280189494.db2.gz FDQNATQRKSWRFM-CZUORRHYSA-N 2 2 330.303 3.280 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269020440 280254993 /nfs/dbraw/zinc/25/49/93/280254993.db2.gz PMBLWUNTZGLHHT-STQMWFEESA-N 2 2 335.883 3.220 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO[C@@H]1C1CC1 ZINC000364151798 289174159 /nfs/dbraw/zinc/17/41/59/289174159.db2.gz VLMFSPSRVORDLG-CVEARBPZSA-N 2 2 334.426 3.198 20 0 EGADLP C[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCO[C@H]1C1CC1 ZINC000364151799 289174348 /nfs/dbraw/zinc/17/43/48/289174348.db2.gz VLMFSPSRVORDLG-HOTGVXAUSA-N 2 2 334.426 3.198 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nccn1C ZINC000376836956 290013332 /nfs/dbraw/zinc/01/33/32/290013332.db2.gz PRMFKDGMGJBJHN-IJXRJRJASA-N 2 2 338.499 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nccn1C ZINC000376836956 290013333 /nfs/dbraw/zinc/01/33/33/290013333.db2.gz PRMFKDGMGJBJHN-IJXRJRJASA-N 2 2 338.499 3.371 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000352649334 293314197 /nfs/dbraw/zinc/31/41/97/293314197.db2.gz JSCYIIPIGXZINF-QMDZLVRISA-N 2 2 334.529 3.263 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860692 307383038 /nfs/dbraw/zinc/38/30/38/307383038.db2.gz IDELLLQZAGAJET-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860692 307383039 /nfs/dbraw/zinc/38/30/39/307383039.db2.gz IDELLLQZAGAJET-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860692 307383040 /nfs/dbraw/zinc/38/30/40/307383040.db2.gz IDELLLQZAGAJET-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000072860692 307383041 /nfs/dbraw/zinc/38/30/41/307383041.db2.gz IDELLLQZAGAJET-INIZCTEOSA-N 2 2 325.456 3.052 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000414115677 309061797 /nfs/dbraw/zinc/06/17/97/309061797.db2.gz NIPXLJVJVKMWMA-HOTGVXAUSA-N 2 2 345.512 3.429 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414115680 309061838 /nfs/dbraw/zinc/06/18/38/309061838.db2.gz NIPXLJVJVKMWMA-JKSUJKDBSA-N 2 2 345.512 3.429 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000136413620 307711736 /nfs/dbraw/zinc/71/17/36/307711736.db2.gz DWXVTGNYLGBSDE-KXPUMZMLSA-N 2 2 346.500 3.177 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c2ccccc12 ZINC000153168238 307767450 /nfs/dbraw/zinc/76/74/50/307767450.db2.gz UAKXMIXFXWZNFN-IRXDYDNUSA-N 2 2 342.483 3.467 20 0 EGADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414294099 309071190 /nfs/dbraw/zinc/07/11/90/309071190.db2.gz DEMHJHWLVGGAGV-LBPRGKRZSA-N 2 2 340.393 3.226 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414351076 309074547 /nfs/dbraw/zinc/07/45/47/309074547.db2.gz RCWCMTSQBNODHN-LPMFXHHGSA-N 2 2 329.463 3.321 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414351076 309074548 /nfs/dbraw/zinc/07/45/48/309074548.db2.gz RCWCMTSQBNODHN-LPMFXHHGSA-N 2 2 329.463 3.321 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000414368616 309075650 /nfs/dbraw/zinc/07/56/50/309075650.db2.gz HICCQQDRJJXEKS-UHFFFAOYSA-N 2 2 342.462 3.380 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000248797010 308011847 /nfs/dbraw/zinc/01/18/47/308011847.db2.gz FGXOFWJDVNSQJV-BVYCBKJFSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000248797010 308011849 /nfs/dbraw/zinc/01/18/49/308011849.db2.gz FGXOFWJDVNSQJV-BVYCBKJFSA-N 2 2 338.495 3.324 20 0 EGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C(C)C ZINC000292859722 308073283 /nfs/dbraw/zinc/07/32/83/308073283.db2.gz GSESPEINIJFVGO-IBGZPJMESA-N 2 2 345.487 3.191 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874155 308075005 /nfs/dbraw/zinc/07/50/05/308075005.db2.gz DMFOBLTUIPYPMF-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292874155 308075006 /nfs/dbraw/zinc/07/50/06/308075006.db2.gz DMFOBLTUIPYPMF-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292874155 308075007 /nfs/dbraw/zinc/07/50/07/308075007.db2.gz DMFOBLTUIPYPMF-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292874155 308075008 /nfs/dbraw/zinc/07/50/08/308075008.db2.gz DMFOBLTUIPYPMF-KXBFYZLASA-N 2 2 347.528 3.153 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292949061 308083219 /nfs/dbraw/zinc/08/32/19/308083219.db2.gz KLGOIYBOWBVUDK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292949061 308083223 /nfs/dbraw/zinc/08/32/23/308083223.db2.gz KLGOIYBOWBVUDK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292949061 308083225 /nfs/dbraw/zinc/08/32/25/308083225.db2.gz KLGOIYBOWBVUDK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292949061 308083227 /nfs/dbraw/zinc/08/32/27/308083227.db2.gz KLGOIYBOWBVUDK-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cnn(CC(F)F)c1)c1ccccc1 ZINC000293114648 308100760 /nfs/dbraw/zinc/10/07/60/308100760.db2.gz XPEOEGUSLZKHPY-AWEZNQCLSA-N 2 2 336.430 3.367 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000293138418 308102908 /nfs/dbraw/zinc/10/29/08/308102908.db2.gz ZORJKDKGTPUDJM-YJBOKZPZSA-N 2 2 348.441 3.291 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000293138418 308102909 /nfs/dbraw/zinc/10/29/09/308102909.db2.gz ZORJKDKGTPUDJM-YJBOKZPZSA-N 2 2 348.441 3.291 20 0 EGADLP Cc1cc(N2CCC([NH2+]Cc3cccc(O)c3Cl)CC2)nc(C)[nH+]1 ZINC000293612292 308146368 /nfs/dbraw/zinc/14/63/68/308146368.db2.gz PUABWXUOFBKTII-UHFFFAOYSA-N 2 2 346.862 3.211 20 0 EGADLP CC1CC[NH+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000293724951 308156215 /nfs/dbraw/zinc/15/62/15/308156215.db2.gz MRIIQICNBSQGBL-GOSISDBHSA-N 2 2 345.466 3.135 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746321 308158193 /nfs/dbraw/zinc/15/81/93/308158193.db2.gz PUCOXPVIFMIUAK-IIAWOOMASA-N 2 2 328.435 3.287 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746321 308158194 /nfs/dbraw/zinc/15/81/94/308158194.db2.gz PUCOXPVIFMIUAK-IIAWOOMASA-N 2 2 328.435 3.287 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Cl)c1OC ZINC000293784753 308161615 /nfs/dbraw/zinc/16/16/15/308161615.db2.gz ZLRPZGNHZXUILD-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Cl)c1OC ZINC000293784753 308161618 /nfs/dbraw/zinc/16/16/18/308161618.db2.gz ZLRPZGNHZXUILD-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(Cl)c1OC ZINC000293784753 308161619 /nfs/dbraw/zinc/16/16/19/308161619.db2.gz ZLRPZGNHZXUILD-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Cl)c1OC ZINC000293784753 308161621 /nfs/dbraw/zinc/16/16/21/308161621.db2.gz ZLRPZGNHZXUILD-GOSISDBHSA-N 2 2 338.879 3.275 20 0 EGADLP CCc1ccc([C@H](CNC(=O)Cc2[nH]c[nH+]c2C)[NH+](CC)CC)cc1 ZINC000294721610 308249476 /nfs/dbraw/zinc/24/94/76/308249476.db2.gz WPVGDDOBRFGZBV-IBGZPJMESA-N 2 2 342.487 3.022 20 0 EGADLP CCc1ccc([C@H](CNC(=O)Cc2[nH+]c[nH]c2C)[NH+](CC)CC)cc1 ZINC000294721610 308249478 /nfs/dbraw/zinc/24/94/78/308249478.db2.gz WPVGDDOBRFGZBV-IBGZPJMESA-N 2 2 342.487 3.022 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H](C)CC(C)(C)O)c[nH+]c12 ZINC000294920739 308271602 /nfs/dbraw/zinc/27/16/02/308271602.db2.gz AUUQIINKPUGFEQ-LLVKDONJSA-N 2 2 340.265 3.044 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@H](c4cccnc4)C3)cc2)c[nH+]1 ZINC000295102952 308291719 /nfs/dbraw/zinc/29/17/19/308291719.db2.gz VDSFXDQRRCFXCC-QUCCMNQESA-N 2 2 334.423 3.277 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295198694 308302014 /nfs/dbraw/zinc/30/20/14/308302014.db2.gz YGZZCVWWASSUPG-RHSMWYFYSA-N 2 2 344.421 3.245 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C(F)(F)F)cc1 ZINC000295198694 308302015 /nfs/dbraw/zinc/30/20/15/308302015.db2.gz YGZZCVWWASSUPG-RHSMWYFYSA-N 2 2 344.421 3.245 20 0 EGADLP C[N@@H+](Cc1cnn(CC(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295297658 308312160 /nfs/dbraw/zinc/31/21/60/308312160.db2.gz JPFYYHMSEATBMB-KRWDZBQOSA-N 2 2 348.441 3.102 20 0 EGADLP C[N@H+](Cc1cnn(CC(F)F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295297658 308312161 /nfs/dbraw/zinc/31/21/61/308312161.db2.gz JPFYYHMSEATBMB-KRWDZBQOSA-N 2 2 348.441 3.102 20 0 EGADLP C[NH+](Cc1cnn(CC(F)F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295297658 308312162 /nfs/dbraw/zinc/31/21/62/308312162.db2.gz JPFYYHMSEATBMB-KRWDZBQOSA-N 2 2 348.441 3.102 20 0 EGADLP C[NH+](Cc1cnn(CC(F)F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295297658 308312163 /nfs/dbraw/zinc/31/21/63/308312163.db2.gz JPFYYHMSEATBMB-KRWDZBQOSA-N 2 2 348.441 3.102 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414653400 309093712 /nfs/dbraw/zinc/09/37/12/309093712.db2.gz FGQQSPYCLQQVEY-GOSISDBHSA-N 2 2 344.430 3.336 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCc1ccc(F)cc1 ZINC000414653400 309093713 /nfs/dbraw/zinc/09/37/13/309093713.db2.gz FGQQSPYCLQQVEY-GOSISDBHSA-N 2 2 344.430 3.336 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000414656978 309093923 /nfs/dbraw/zinc/09/39/23/309093923.db2.gz NYTSWGBJTKFRMR-IBGZPJMESA-N 2 2 332.451 3.381 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000414656978 309093924 /nfs/dbraw/zinc/09/39/24/309093924.db2.gz NYTSWGBJTKFRMR-IBGZPJMESA-N 2 2 332.451 3.381 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766477 309099579 /nfs/dbraw/zinc/09/95/79/309099579.db2.gz HQEJUQZMNNCKTK-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@@H](C[NH3+])C1 ZINC000414766477 309099580 /nfs/dbraw/zinc/09/95/80/309099580.db2.gz HQEJUQZMNNCKTK-QFBILLFUSA-N 2 2 325.456 3.220 20 0 EGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414801272 309102382 /nfs/dbraw/zinc/10/23/82/309102382.db2.gz TXJWBKBFSCBEFO-MRXNPFEDSA-N 2 2 340.393 3.023 20 0 EGADLP C[NH2+]CC[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414833485 309104445 /nfs/dbraw/zinc/10/44/45/309104445.db2.gz SFHNMEFNCHHJSY-GFCCVEGCSA-N 2 2 337.261 3.179 20 0 EGADLP Oc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)c1 ZINC000301396064 308698842 /nfs/dbraw/zinc/69/88/42/308698842.db2.gz FUCSCNVEZKEASP-UHFFFAOYSA-N 2 2 325.437 3.324 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301881007 308719730 /nfs/dbraw/zinc/71/97/30/308719730.db2.gz KCUQLTCNYWEDII-OAHLLOKOSA-N 2 2 342.491 3.036 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C)c(Br)s2)[C@H](C)C1 ZINC000449400965 310059035 /nfs/dbraw/zinc/05/90/35/310059035.db2.gz KRVPLHAYFOQUIA-MWLCHTKSSA-N 2 2 332.311 3.034 20 0 EGADLP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000364000268 308897667 /nfs/dbraw/zinc/89/76/67/308897667.db2.gz FOHBKWKRKJGXOM-UHFFFAOYSA-N 2 2 327.457 3.311 20 0 EGADLP C[C@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000398976063 308906342 /nfs/dbraw/zinc/90/63/42/308906342.db2.gz YVHADRVIFGOENJ-JKSUJKDBSA-N 2 2 336.480 3.041 20 0 EGADLP Cc1cc(Br)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1OC(F)F ZINC000414892566 309107774 /nfs/dbraw/zinc/10/77/74/309107774.db2.gz QDGGXMOOHUYUGW-GFCCVEGCSA-N 2 2 349.219 3.186 20 0 EGADLP COC[C@]1(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CCC[NH2+]1 ZINC000414946549 309110666 /nfs/dbraw/zinc/11/06/66/309110666.db2.gz SQIMEJBGVLUTNY-OAQYLSRUSA-N 2 2 340.467 3.220 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414957317 309111496 /nfs/dbraw/zinc/11/14/96/309111496.db2.gz OILNYVHLCSIHMX-VXGBXAGGSA-N 2 2 331.382 3.010 20 0 EGADLP COCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414961299 309111691 /nfs/dbraw/zinc/11/16/91/309111691.db2.gz YSNGWHQHHBOPPE-FXAWDEMLSA-N 2 2 346.421 3.347 20 0 EGADLP CSc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000415036891 309115764 /nfs/dbraw/zinc/11/57/64/309115764.db2.gz KMQNDTGXIARXIG-ZDUSSCGKSA-N 2 2 329.307 3.401 20 0 EGADLP Brc1csc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415039031 309115982 /nfs/dbraw/zinc/11/59/82/309115982.db2.gz INXPKXSYSMOHHX-LSDHHAIUSA-N 2 2 337.286 3.356 20 0 EGADLP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000415058093 309117309 /nfs/dbraw/zinc/11/73/09/309117309.db2.gz SIRMQKZFVOHYHE-QGZVFWFLSA-N 3 2 343.437 3.473 20 0 EGADLP [NH3+]C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)C1CCCC1 ZINC000415068181 309118147 /nfs/dbraw/zinc/11/81/47/309118147.db2.gz QLUPVOSQGWNGMW-IBGZPJMESA-N 2 2 335.923 3.412 20 0 EGADLP Cc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000415123434 309121871 /nfs/dbraw/zinc/12/18/71/309121871.db2.gz AWFGCCJKIMXNRR-UHFFFAOYSA-N 3 2 337.511 3.387 20 0 EGADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415186582 309125406 /nfs/dbraw/zinc/12/54/06/309125406.db2.gz NJKDOJFCHHPASV-UONOGXRCSA-N 2 2 326.400 3.088 20 0 EGADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415194018 309125794 /nfs/dbraw/zinc/12/57/94/309125794.db2.gz ZLBHCARYKDKIPA-DZGCQCFKSA-N 2 2 326.400 3.123 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCCCC[NH3+])c1 ZINC000415289655 309129881 /nfs/dbraw/zinc/12/98/81/309129881.db2.gz AFKZBAHHQPVJDH-UHFFFAOYSA-N 2 2 329.448 3.211 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000415291587 309129946 /nfs/dbraw/zinc/12/99/46/309129946.db2.gz HNPWBHUOFINTSP-KRWDZBQOSA-N 2 2 343.475 3.455 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000419257662 309262381 /nfs/dbraw/zinc/26/23/81/309262381.db2.gz AOCQWKGEQDXMMO-MRXNPFEDSA-N 2 2 329.488 3.035 20 0 EGADLP C[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(C(F)(F)F)cc1 ZINC000419693884 309271180 /nfs/dbraw/zinc/27/11/80/309271180.db2.gz JLBCMOGKRVCNEP-GFCCVEGCSA-N 2 2 340.393 3.398 20 0 EGADLP Brc1ccc2c(cc[nH+]c2N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000420259890 309278380 /nfs/dbraw/zinc/27/83/80/309278380.db2.gz MWIBOHAOMVVPKJ-STQMWFEESA-N 2 2 332.245 3.043 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000420266699 309278705 /nfs/dbraw/zinc/27/87/05/309278705.db2.gz DSSNXVOFGZZILK-AWEZNQCLSA-N 2 2 330.428 3.041 20 0 EGADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000420266699 309278706 /nfs/dbraw/zinc/27/87/06/309278706.db2.gz DSSNXVOFGZZILK-AWEZNQCLSA-N 2 2 330.428 3.041 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300639 309280243 /nfs/dbraw/zinc/28/02/43/309280243.db2.gz VBRYWNHRJYQRIY-YLJYHZDGSA-N 2 2 337.467 3.216 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300639 309280244 /nfs/dbraw/zinc/28/02/44/309280244.db2.gz VBRYWNHRJYQRIY-YLJYHZDGSA-N 2 2 337.467 3.216 20 0 EGADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000420303558 309280526 /nfs/dbraw/zinc/28/05/26/309280526.db2.gz HNZNVFTUERWIJF-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000420303558 309280527 /nfs/dbraw/zinc/28/05/27/309280527.db2.gz HNZNVFTUERWIJF-UHFFFAOYSA-N 2 2 331.847 3.130 20 0 EGADLP Cc1cc(C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(C)n1CC(F)(F)F ZINC000420311833 309281178 /nfs/dbraw/zinc/28/11/78/309281178.db2.gz IAMMHHOPIRKBQU-CQSZACIVSA-N 2 2 345.409 3.053 20 0 EGADLP Cc1cc(C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c(C)n1CC(F)(F)F ZINC000420311833 309281179 /nfs/dbraw/zinc/28/11/79/309281179.db2.gz IAMMHHOPIRKBQU-CQSZACIVSA-N 2 2 345.409 3.053 20 0 EGADLP CC[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420320611 309282113 /nfs/dbraw/zinc/28/21/13/309282113.db2.gz YTQYZRUOMPKSGS-OAHLLOKOSA-N 2 2 334.414 3.115 20 0 EGADLP CC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@@H]1CCC[NH2+]CC1 ZINC000420320611 309282114 /nfs/dbraw/zinc/28/21/14/309282114.db2.gz YTQYZRUOMPKSGS-OAHLLOKOSA-N 2 2 334.414 3.115 20 0 EGADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1 ZINC000420358070 309283928 /nfs/dbraw/zinc/28/39/28/309283928.db2.gz JAXQHFDMMOCXDR-DYVFJYSZSA-N 2 2 337.895 3.014 20 0 EGADLP CCN(C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)[C@H](C)c1ccc(F)cc1 ZINC000420357940 309283963 /nfs/dbraw/zinc/28/39/63/309283963.db2.gz DYPBUBIFQQYQBU-BEFAXECRSA-N 2 2 349.494 3.232 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000420361220 309284211 /nfs/dbraw/zinc/28/42/11/309284211.db2.gz LXSOOWHPLACVPK-IBGZPJMESA-N 2 2 339.483 3.183 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1cccc(Cl)c1Cl ZINC000420368281 309284669 /nfs/dbraw/zinc/28/46/69/309284669.db2.gz NMPVCYLYTZBQRO-USXUVBGUSA-N 2 2 344.286 3.297 20 0 EGADLP CC(C)CNC(=O)c1cccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420382231 309285584 /nfs/dbraw/zinc/28/55/84/309285584.db2.gz ZPWAVQNUIDNAJL-IBGZPJMESA-N 2 2 331.504 3.070 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]C2CC3(C2)CCCCC3)[N@H+](Cc2ccccc2)C1 ZINC000421341801 309319180 /nfs/dbraw/zinc/31/91/80/309319180.db2.gz MCQBBUHHLSUIMO-VQTJNVASSA-N 2 2 328.500 3.324 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]C2CC3(C2)CCCCC3)[N@@H+](Cc2ccccc2)C1 ZINC000421341801 309319181 /nfs/dbraw/zinc/31/91/81/309319181.db2.gz MCQBBUHHLSUIMO-VQTJNVASSA-N 2 2 328.500 3.324 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccncc1Cl ZINC000421819124 309341354 /nfs/dbraw/zinc/34/13/54/309341354.db2.gz FGGCWIKWTLBWGF-CQSZACIVSA-N 2 2 330.863 3.445 20 0 EGADLP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000422697699 309363531 /nfs/dbraw/zinc/36/35/31/309363531.db2.gz VSTCPIFHISDIMD-OAHLLOKOSA-N 2 2 341.455 3.360 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422701573 309363886 /nfs/dbraw/zinc/36/38/86/309363886.db2.gz DICWNMSCZAYBRM-JXFKEZNVSA-N 2 2 325.456 3.281 20 0 EGADLP [NH3+][C@H]1CCC[C@@H]1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730954 309365762 /nfs/dbraw/zinc/36/57/62/309365762.db2.gz MWLUOGZXTRXFLS-IRXDYDNUSA-N 2 2 342.314 3.427 20 0 EGADLP CC[C@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCC[NH2+]1 ZINC000422791680 309368385 /nfs/dbraw/zinc/36/83/85/309368385.db2.gz QNWZULPJCWNWPG-PMACEKPBSA-N 2 2 326.488 3.168 20 0 EGADLP COc1ccc(-c2csc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)c2)cc1 ZINC000422817275 309370252 /nfs/dbraw/zinc/37/02/52/309370252.db2.gz CRWPIJVRCOTNBZ-PBHICJAKSA-N 2 2 346.496 3.280 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)c2ccccc21 ZINC000422827500 309370611 /nfs/dbraw/zinc/37/06/11/309370611.db2.gz NBXFHHOYVYPCOF-HUUCEWRRSA-N 2 2 337.345 3.257 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1OC(F)F ZINC000422870229 309372874 /nfs/dbraw/zinc/37/28/74/309372874.db2.gz BPTCMZILXNBAOX-KBPBESRZSA-N 2 2 328.403 3.436 20 0 EGADLP COc1ccc(Br)c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422931704 309376800 /nfs/dbraw/zinc/37/68/00/309376800.db2.gz CNMGMBUFNWMKDI-HUUCEWRRSA-N 2 2 327.266 3.207 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422923028 309376262 /nfs/dbraw/zinc/37/62/62/309376262.db2.gz UYOJABPJTIESAR-QWHCGFSZSA-N 2 2 328.859 3.113 20 0 EGADLP CC(C)Oc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000422975069 309379178 /nfs/dbraw/zinc/37/91/78/309379178.db2.gz SGKKOTFXQMTPDY-RBUKOAKNSA-N 2 2 325.456 3.452 20 0 EGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423080433 309384911 /nfs/dbraw/zinc/38/49/11/309384911.db2.gz SMUVYJNFMXRHQQ-GJZGRUSLSA-N 2 2 338.442 3.133 20 0 EGADLP COCc1nc(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2ccccc2)s1 ZINC000423096200 309385689 /nfs/dbraw/zinc/38/56/89/309385689.db2.gz HGCSWSFFKCZEHZ-HNNXBMFYSA-N 2 2 331.485 3.188 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(=O)N1c2ccccc2C[C@H]1C ZINC000423153548 309388453 /nfs/dbraw/zinc/38/84/53/309388453.db2.gz HSPZYDDXHLKEDN-SPLQCWDRSA-N 2 2 335.451 3.087 20 0 EGADLP Fc1cc(Br)ccc1[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423184918 309389508 /nfs/dbraw/zinc/38/95/08/309389508.db2.gz IZMFPWYKYRPOJR-IUODEOHRSA-N 2 2 327.241 3.381 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196693 309390192 /nfs/dbraw/zinc/39/01/92/309390192.db2.gz VYCVYOOQXUZKHV-JSGCOSHPSA-N 2 2 325.250 3.004 20 0 EGADLP C[NH2+]CCC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423201261 309390243 /nfs/dbraw/zinc/39/02/43/309390243.db2.gz OGCRZNVEZWJDOF-LJQANCHMSA-N 2 2 346.858 3.400 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)[C@H]1CCC[NH2+]C1 ZINC000423218346 309391106 /nfs/dbraw/zinc/39/11/06/309391106.db2.gz RRJHUTHNDIOHFZ-VWYCJHECSA-N 2 2 330.245 3.022 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232570 309391539 /nfs/dbraw/zinc/39/15/39/309391539.db2.gz INUXZTMXUMSNPS-BQJUDKOJSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423232570 309391540 /nfs/dbraw/zinc/39/15/40/309391540.db2.gz INUXZTMXUMSNPS-BQJUDKOJSA-N 3 2 327.516 3.019 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)C12CCOCC2 ZINC000423251860 309392328 /nfs/dbraw/zinc/39/23/28/309392328.db2.gz WTDJBXMNIWQAFY-SLFFLAALSA-N 2 2 346.515 3.374 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423272180 309393387 /nfs/dbraw/zinc/39/33/87/309393387.db2.gz YWXIAZWEYBDXFR-OXJNMPFZSA-N 3 2 333.520 3.185 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000423274113 309393475 /nfs/dbraw/zinc/39/34/75/309393475.db2.gz JXHMMYPNCXOOTQ-HNNXBMFYSA-N 2 2 338.517 3.053 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423322736 309395215 /nfs/dbraw/zinc/39/52/15/309395215.db2.gz GSGHHFSDIGNRQH-OAHLLOKOSA-N 2 2 331.485 3.013 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@]45C[C@H]4CC[NH2+]5)cc3)[nH+]c12 ZINC000423331123 309395506 /nfs/dbraw/zinc/39/55/06/309395506.db2.gz CICHRSFTNBQAMM-QRWLVFNGSA-N 2 2 332.407 3.000 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000423335116 309395859 /nfs/dbraw/zinc/39/58/59/309395859.db2.gz PKWVTRGBXKCYHE-OAHLLOKOSA-N 2 2 349.475 3.152 20 0 EGADLP CCCC[C@H](COC)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423366463 309397410 /nfs/dbraw/zinc/39/74/10/309397410.db2.gz LPJWPQPAJMNVSO-RVKKMQEKSA-N 2 2 326.431 3.205 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1I ZINC000423376172 309397808 /nfs/dbraw/zinc/39/78/08/309397808.db2.gz KTLZPKFBOGDICP-UTUOFQBUSA-N 2 2 344.240 3.082 20 0 EGADLP COC[C@]1(C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CCC[NH2+]1 ZINC000423409692 309399026 /nfs/dbraw/zinc/39/90/26/309399026.db2.gz CEOGTLGPMHGCCG-AZUAARDMSA-N 2 2 327.472 3.212 20 0 EGADLP CC1CC[NH+](CCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(F)cc2)CC1 ZINC000423419128 309399412 /nfs/dbraw/zinc/39/94/12/309399412.db2.gz ALXPCAIAKAECMS-JSXRDJHFSA-N 3 2 345.506 3.186 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CCC[NH2+]1 ZINC000423422833 309399689 /nfs/dbraw/zinc/39/96/89/309399689.db2.gz ZEAUWMOWSLPUBN-IAQYHMDHSA-N 2 2 345.256 3.007 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423423104 309399708 /nfs/dbraw/zinc/39/97/08/309399708.db2.gz KTNYEHAFLLLZNK-CVEARBPZSA-N 2 2 341.293 3.258 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423427071 309399947 /nfs/dbraw/zinc/39/99/47/309399947.db2.gz FQKSXZQNHPTMIJ-UMSONDCASA-N 3 2 327.516 3.017 20 0 EGADLP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423427071 309399948 /nfs/dbraw/zinc/39/99/48/309399948.db2.gz FQKSXZQNHPTMIJ-UMSONDCASA-N 3 2 327.516 3.017 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)nnn1-c1cccc(Cl)c1 ZINC000423527063 309404871 /nfs/dbraw/zinc/40/48/71/309404871.db2.gz MBFAEBOKNAJYEV-GFCCVEGCSA-N 2 2 333.867 3.022 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423541360 309405692 /nfs/dbraw/zinc/40/56/92/309405692.db2.gz KQWQNMBTZRELFJ-HHXXYDBFSA-N 3 2 347.934 3.282 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[nH+]1 ZINC000423776636 309412166 /nfs/dbraw/zinc/41/21/66/309412166.db2.gz QTBHUABLQQMNKA-CYBMUJFWSA-N 2 2 326.444 3.349 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424425961 309443229 /nfs/dbraw/zinc/44/32/29/309443229.db2.gz KYTTXFJXZNCDQJ-UHFFFAOYSA-N 2 2 343.475 3.157 20 0 EGADLP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689147 309717681 /nfs/dbraw/zinc/71/76/81/309717681.db2.gz UNTBJCPOHWAOOF-HZPDHXFCSA-N 2 2 346.519 3.092 20 0 EGADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C)[NH+](C)C ZINC000443012040 309893684 /nfs/dbraw/zinc/89/36/84/309893684.db2.gz RIRLBBLVBVAHLS-MGPUTAFESA-N 2 2 337.471 3.058 20 0 EGADLP CCCC[C@H](CC)C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000448210822 310000307 /nfs/dbraw/zinc/00/03/07/310000307.db2.gz ACKFDUBUOCBSFQ-DLBZAZTESA-N 2 2 346.519 3.107 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038733 310032226 /nfs/dbraw/zinc/03/22/26/310032226.db2.gz WWNVGAXTCPIRJB-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038733 310032227 /nfs/dbraw/zinc/03/22/27/310032227.db2.gz WWNVGAXTCPIRJB-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038733 310032228 /nfs/dbraw/zinc/03/22/28/310032228.db2.gz WWNVGAXTCPIRJB-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449038733 310032229 /nfs/dbraw/zinc/03/22/29/310032229.db2.gz WWNVGAXTCPIRJB-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449106609 310037561 /nfs/dbraw/zinc/03/75/61/310037561.db2.gz MSTCHAMITFENFE-UHFFFAOYSA-N 2 2 349.475 3.150 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CSC[C@H]2C)CCOCC1)c1ccccc1 ZINC000449153906 310040773 /nfs/dbraw/zinc/04/07/73/310040773.db2.gz GGJWVGJULMUDDG-SOLBZPMBSA-N 2 2 334.529 3.228 20 0 EGADLP COc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc2ccccc21 ZINC000449224308 310045835 /nfs/dbraw/zinc/04/58/35/310045835.db2.gz LIGLOFOLGHRSJN-MRXNPFEDSA-N 2 2 328.456 3.049 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385150 310058036 /nfs/dbraw/zinc/05/80/36/310058036.db2.gz DXVKXOUHHYOPNL-PRLABOORSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385150 310058037 /nfs/dbraw/zinc/05/80/37/310058037.db2.gz DXVKXOUHHYOPNL-PRLABOORSA-N 2 2 336.442 3.180 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C)c(Br)s2)[C@H](C)C1 ZINC000449400965 310059034 /nfs/dbraw/zinc/05/90/34/310059034.db2.gz KRVPLHAYFOQUIA-MWLCHTKSSA-N 2 2 332.311 3.034 20 0 EGADLP CCC[C@H](C)[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000449551547 310071116 /nfs/dbraw/zinc/07/11/16/310071116.db2.gz GINVIBLABCAHIF-IBGZPJMESA-N 2 2 345.531 3.136 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000449705155 310081713 /nfs/dbraw/zinc/08/17/13/310081713.db2.gz JLSREFJCXGKYGM-UHFFFAOYSA-N 2 2 343.446 3.488 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000449776166 310086446 /nfs/dbraw/zinc/08/64/46/310086446.db2.gz NVDAQBYVMAMUOU-NWDGAFQWSA-N 2 2 349.276 3.042 20 0 EGADLP Brc1cccc2[nH]c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)nc21 ZINC000449776166 310086447 /nfs/dbraw/zinc/08/64/47/310086447.db2.gz NVDAQBYVMAMUOU-NWDGAFQWSA-N 2 2 349.276 3.042 20 0 EGADLP Fc1cc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2cc1Cl ZINC000450356324 310117476 /nfs/dbraw/zinc/11/74/76/310117476.db2.gz VNZDNULDNHMXRA-ZDUSSCGKSA-N 2 2 349.837 3.186 20 0 EGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2cc1Cl ZINC000450370037 310118436 /nfs/dbraw/zinc/11/84/36/310118436.db2.gz UZOHYMAXGRUAAQ-ZDUSSCGKSA-N 2 2 349.837 3.186 20 0 EGADLP Clc1cccc(Cl)c1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450442039 310122843 /nfs/dbraw/zinc/12/28/43/310122843.db2.gz SDCFTUJKWPKBKR-AWEZNQCLSA-N 2 2 343.298 3.190 20 0 EGADLP Clc1cccc(Cl)c1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450442039 310122844 /nfs/dbraw/zinc/12/28/44/310122844.db2.gz SDCFTUJKWPKBKR-AWEZNQCLSA-N 2 2 343.298 3.190 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450769941 310141794 /nfs/dbraw/zinc/14/17/94/310141794.db2.gz YVVCISBQSNMQDC-GOEBONIOSA-N 2 2 346.441 3.436 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451475969 310180173 /nfs/dbraw/zinc/18/01/73/310180173.db2.gz DTLHXCPETAGOKL-GUDVDZBRSA-N 2 2 325.456 3.474 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000453051370 310254352 /nfs/dbraw/zinc/25/43/52/310254352.db2.gz BCAWAWXXTJKJPA-ZWKOTPCHSA-N 2 2 333.863 3.307 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281383 310269055 /nfs/dbraw/zinc/26/90/55/310269055.db2.gz CTNCRFCTWXQUKS-MJGOQNOKSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)c1ccccn1 ZINC000453281383 310269056 /nfs/dbraw/zinc/26/90/56/310269056.db2.gz CTNCRFCTWXQUKS-MJGOQNOKSA-N 2 2 338.499 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000453590195 310283088 /nfs/dbraw/zinc/28/30/88/310283088.db2.gz AYMWJHCFBYBFTM-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000453590195 310283089 /nfs/dbraw/zinc/28/30/89/310283089.db2.gz AYMWJHCFBYBFTM-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCC[N@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590195 310283090 /nfs/dbraw/zinc/28/30/90/310283090.db2.gz AYMWJHCFBYBFTM-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[NH+](Cc2ccccc2)C1 ZINC000453590195 310283091 /nfs/dbraw/zinc/28/30/91/310283091.db2.gz AYMWJHCFBYBFTM-ICSRJNTNSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CC[C@@H](C)O3)c[nH+]c12 ZINC000453622953 310285215 /nfs/dbraw/zinc/28/52/15/310285215.db2.gz BBYNHNQBFFUPQI-RISCZKNCSA-N 2 2 338.249 3.062 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000454397929 310307505 /nfs/dbraw/zinc/30/75/05/310307505.db2.gz ZGQMPKCVHMKIQE-CQSZACIVSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c[nH+]1 ZINC000454397929 310307506 /nfs/dbraw/zinc/30/75/06/310307506.db2.gz ZGQMPKCVHMKIQE-CQSZACIVSA-N 2 2 332.492 3.008 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c[nH+]1 ZINC000454401628 310307698 /nfs/dbraw/zinc/30/76/98/310307698.db2.gz DZXMVIXIHPMSJE-UHFFFAOYSA-N 2 2 344.503 3.152 20 0 EGADLP Cc1ccc([C@H](CNC(=O)NCc2c[nH+]c(C)cc2C)[NH+](C)C)cc1 ZINC000454459027 310310785 /nfs/dbraw/zinc/31/07/85/310310785.db2.gz PQHZMLAEWPHYPS-IBGZPJMESA-N 2 2 340.471 3.109 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000454475456 310311664 /nfs/dbraw/zinc/31/16/64/310311664.db2.gz GZBYBZXJRHZIQW-INIZCTEOSA-N 2 2 349.523 3.025 20 0 EGADLP CCn1c2ccccc2[nH+]c1NCc1c[nH+]c2ccc(Cl)cn12 ZINC000460678944 310585220 /nfs/dbraw/zinc/58/52/20/310585220.db2.gz QOLAKGJZNBNOMK-UHFFFAOYSA-N 2 2 325.803 3.391 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C2CC2)cc1 ZINC000480274381 310892175 /nfs/dbraw/zinc/89/21/75/310892175.db2.gz MZHLLZJHLNLYQR-WFXMLNOXSA-N 2 2 330.516 3.405 20 0 EGADLP COC1(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)CCCCC1 ZINC000480635773 310898284 /nfs/dbraw/zinc/89/82/84/310898284.db2.gz MTQXKTRKSVSFSI-UHFFFAOYSA-N 2 2 326.550 3.287 20 0 EGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490136220 311133860 /nfs/dbraw/zinc/13/38/60/311133860.db2.gz LBGDRYCJOOVXPE-IFMALSPDSA-N 2 2 338.495 3.439 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000491999413 311207214 /nfs/dbraw/zinc/20/72/14/311207214.db2.gz BEZOTNXXJOGPAE-BQYQJAHWSA-N 2 2 332.835 3.270 20 0 EGADLP COc1cc(/C=C\C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)ccc1F ZINC000492198205 311225436 /nfs/dbraw/zinc/22/54/36/311225436.db2.gz KUVUZRQBKNEYOA-HYXAFXHYSA-N 2 2 338.342 3.067 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000493353037 311363934 /nfs/dbraw/zinc/36/39/34/311363934.db2.gz MXPUGEKBFZAITL-ZHACJKMWSA-N 2 2 344.503 3.173 20 0 EGADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493480214 311382995 /nfs/dbraw/zinc/38/29/95/311382995.db2.gz FPWRQWFNEBXKJT-KTKRTIGZSA-N 2 2 338.455 3.115 20 0 EGADLP C[NH+](C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)Cc1ccccc1 ZINC000493890454 311443272 /nfs/dbraw/zinc/44/32/72/311443272.db2.gz DQOWMIMZZPZJSA-YSTOQKLRSA-N 2 2 328.500 3.097 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000496110838 311663117 /nfs/dbraw/zinc/66/31/17/311663117.db2.gz UNPYOYCKHVQUPN-HNNXBMFYSA-N 2 2 348.491 3.236 20 0 EGADLP C[C@H]1CCC[C@@H](CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1 ZINC000507955251 312085631 /nfs/dbraw/zinc/08/56/31/312085631.db2.gz ZUFXAVTZLFOPQK-DLBZAZTESA-N 2 2 330.520 3.272 20 0 EGADLP Cc1cccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cccc(F)c2)c1 ZINC000510720608 312146846 /nfs/dbraw/zinc/14/68/46/312146846.db2.gz MSJIZTBFMOLPJS-LEWJYISDSA-N 2 2 342.458 3.270 20 0 EGADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000510737075 312147074 /nfs/dbraw/zinc/14/70/74/312147074.db2.gz RTAZRABTNYSOBR-GUYCJALGSA-N 2 2 328.472 3.313 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190511 /nfs/dbraw/zinc/19/05/11/312190511.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190513 /nfs/dbraw/zinc/19/05/13/312190513.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190514 /nfs/dbraw/zinc/19/05/14/312190514.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 2 329.532 3.217 20 0 EGADLP CC(C)[NH+](C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512625251 312190516 /nfs/dbraw/zinc/19/05/16/312190516.db2.gz MMQHPPWQKMKLLG-PWRODBHTSA-N 3 2 329.532 3.217 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190737 /nfs/dbraw/zinc/19/07/37/312190737.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190740 /nfs/dbraw/zinc/19/07/40/312190740.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190743 /nfs/dbraw/zinc/19/07/43/312190743.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+](CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000512622924 312190746 /nfs/dbraw/zinc/19/07/46/312190746.db2.gz CRCDMQSBSCHXPY-KSEOMHKRSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000516367328 312321252 /nfs/dbraw/zinc/32/12/52/312321252.db2.gz TUGHOMXEVBFSDU-KBPBESRZSA-N 2 2 325.294 3.312 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000516367328 312321251 /nfs/dbraw/zinc/32/12/51/312321251.db2.gz TUGHOMXEVBFSDU-KBPBESRZSA-N 2 2 325.294 3.312 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000516568704 312330084 /nfs/dbraw/zinc/33/00/84/312330084.db2.gz UKODCDQPZKQOPK-UHFFFAOYSA-N 2 2 342.487 3.163 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCSCC(C)C)c2cc1C ZINC000516965117 312354633 /nfs/dbraw/zinc/35/46/33/312354633.db2.gz JKNANYIMANQCKW-QGZVFWFLSA-N 2 2 349.544 3.383 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000517028852 312359613 /nfs/dbraw/zinc/35/96/13/312359613.db2.gz RMPQFKSJHXXZSK-CYBMUJFWSA-N 2 2 348.450 3.400 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000517500914 312381280 /nfs/dbraw/zinc/38/12/80/312381280.db2.gz JKMMGLKXZCGOMP-ACDBMABISA-N 2 2 345.531 3.053 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](c3ccnn3C)C1)CCC2 ZINC000517582718 312384954 /nfs/dbraw/zinc/38/49/54/312384954.db2.gz UJOSWFIRULUFLF-IKGGRYGDSA-N 2 2 327.476 3.118 20 0 EGADLP Cc1cc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nc[nH+]1 ZINC000517669836 312388026 /nfs/dbraw/zinc/38/80/26/312388026.db2.gz LKSCDGUCRUKXJJ-UHFFFAOYSA-N 2 2 338.499 3.354 20 0 EGADLP CCC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OCC ZINC000525249083 312710140 /nfs/dbraw/zinc/71/01/40/312710140.db2.gz WZPSMFGLNQCVLJ-KRWDZBQOSA-N 2 2 338.517 3.282 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccccc1)c1ccncn1)CCC2 ZINC000527282979 312849862 /nfs/dbraw/zinc/84/98/62/312849862.db2.gz FJIWWVDPDQRGOK-PKOBYXMFSA-N 2 2 333.439 3.238 20 0 EGADLP COc1cccc([C@@H](C[NH2+]Cc2c[nH+]c3c(C)cccn23)OC)c1 ZINC000527737220 312927587 /nfs/dbraw/zinc/92/75/87/312927587.db2.gz MSFYNQYEFUXRIG-GOSISDBHSA-N 2 2 325.412 3.129 20 0 EGADLP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000528388758 313081388 /nfs/dbraw/zinc/08/13/88/313081388.db2.gz QSIXNRAUEXYBQS-HKUYNNGSSA-N 2 2 343.446 3.212 20 0 EGADLP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000528388758 313081390 /nfs/dbraw/zinc/08/13/90/313081390.db2.gz QSIXNRAUEXYBQS-HKUYNNGSSA-N 2 2 343.446 3.212 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(Br)cc1F ZINC000529568159 313357985 /nfs/dbraw/zinc/35/79/85/313357985.db2.gz RWAWKIGNQZXOLS-UHFFFAOYSA-N 2 2 341.228 3.010 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(Br)cc1F ZINC000529568159 313357988 /nfs/dbraw/zinc/35/79/88/313357988.db2.gz RWAWKIGNQZXOLS-UHFFFAOYSA-N 2 2 341.228 3.010 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cnn1-c1ccc(F)cc1 ZINC000530225124 313500320 /nfs/dbraw/zinc/50/03/20/313500320.db2.gz WOLNJGVJIULLEU-UGSOOPFHSA-N 2 2 328.435 3.255 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000532466392 313803168 /nfs/dbraw/zinc/80/31/68/313803168.db2.gz MRFYZNSHRLPEKI-UHFFFAOYSA-N 2 2 339.361 3.198 20 0 EGADLP Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1C ZINC000533187616 313880305 /nfs/dbraw/zinc/88/03/05/313880305.db2.gz YEMDPBVWTKABDH-UHFFFAOYSA-N 2 2 338.499 3.263 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000534864247 314003051 /nfs/dbraw/zinc/00/30/51/314003051.db2.gz ZUBFWQPAOJMIKP-UHFFFAOYSA-N 2 2 343.402 3.084 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc2)n1 ZINC000535821853 314077938 /nfs/dbraw/zinc/07/79/38/314077938.db2.gz CHIRCZMJMBRQDA-SFHVURJKSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)cc2)n1 ZINC000535821853 314077942 /nfs/dbraw/zinc/07/79/42/314077942.db2.gz CHIRCZMJMBRQDA-SFHVURJKSA-N 2 2 335.455 3.212 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000536067903 314092796 /nfs/dbraw/zinc/09/27/96/314092796.db2.gz HNJVCWAMVDPTJT-CQSZACIVSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000536067903 314092798 /nfs/dbraw/zinc/09/27/98/314092798.db2.gz HNJVCWAMVDPTJT-CQSZACIVSA-N 2 2 326.375 3.204 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000536696472 314138796 /nfs/dbraw/zinc/13/87/96/314138796.db2.gz OYYVDNJXSGXSJA-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000536696472 314138799 /nfs/dbraw/zinc/13/87/99/314138799.db2.gz OYYVDNJXSGXSJA-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000536994338 314155664 /nfs/dbraw/zinc/15/56/64/314155664.db2.gz RLRSTZUVHJBQNG-CITFOPHVSA-N 2 2 338.854 3.381 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000536994338 314155666 /nfs/dbraw/zinc/15/56/66/314155666.db2.gz RLRSTZUVHJBQNG-CITFOPHVSA-N 2 2 338.854 3.381 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000538394458 314244534 /nfs/dbraw/zinc/24/45/34/314244534.db2.gz ATTPQWQOBPXOMA-PLACYPQZSA-N 2 2 342.527 3.472 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000538394458 314244536 /nfs/dbraw/zinc/24/45/36/314244536.db2.gz ATTPQWQOBPXOMA-PLACYPQZSA-N 2 2 342.527 3.472 20 0 EGADLP CC[NH+]1CCN(c2ccc([NH2+][C@H](C)C3CCOCC3)c(C)c2)CC1 ZINC000538508635 314250921 /nfs/dbraw/zinc/25/09/21/314250921.db2.gz WCZUDUAPYFUFNK-QGZVFWFLSA-N 2 2 331.504 3.364 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068953 314293918 /nfs/dbraw/zinc/29/39/18/314293918.db2.gz JZRMAFAIAYCODQ-SWLSCSKDSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccccc1C(F)(F)F ZINC000539068953 314293920 /nfs/dbraw/zinc/29/39/20/314293920.db2.gz JZRMAFAIAYCODQ-SWLSCSKDSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)[N@H+](C)C1CC1 ZINC000550121985 315117225 /nfs/dbraw/zinc/11/72/25/315117225.db2.gz DWMVLPFICNWSNZ-TZMCWYRMSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCc2cccc(Br)c2C1)[N@@H+](C)C1CC1 ZINC000550121985 315117227 /nfs/dbraw/zinc/11/72/27/315117227.db2.gz DWMVLPFICNWSNZ-TZMCWYRMSA-N 2 2 337.305 3.379 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536734 315224391 /nfs/dbraw/zinc/22/43/91/315224391.db2.gz RSBJKNWFALTLGY-BLLLJJGKSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536734 315224393 /nfs/dbraw/zinc/22/43/93/315224393.db2.gz RSBJKNWFALTLGY-BLLLJJGKSA-N 2 2 328.378 3.157 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H]3C3CC3)CC2)c1 ZINC000554349051 315312219 /nfs/dbraw/zinc/31/22/19/315312219.db2.gz GUENJUBRWPHBJV-RTWAWAEBSA-N 2 2 327.516 3.285 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000554795429 315349307 /nfs/dbraw/zinc/34/93/07/315349307.db2.gz DTQGQMRVKOGCFH-KSSFIOAISA-N 2 2 337.423 3.086 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000555537358 315388995 /nfs/dbraw/zinc/38/89/95/315388995.db2.gz NOQJDZBURMTWPU-GOSISDBHSA-N 2 2 327.472 3.475 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2conc2Cc2ccccc2)C1 ZINC000555537358 315388998 /nfs/dbraw/zinc/38/89/98/315388998.db2.gz NOQJDZBURMTWPU-GOSISDBHSA-N 2 2 327.472 3.475 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000555587091 315392642 /nfs/dbraw/zinc/39/26/42/315392642.db2.gz YLWXWZXYRAWVSD-HZPDHXFCSA-N 2 2 333.476 3.211 20 0 EGADLP CCc1oc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1C(=O)OC ZINC000559069782 315616078 /nfs/dbraw/zinc/61/60/78/315616078.db2.gz OKLKXYZWZYLTMN-UHFFFAOYSA-N 2 2 348.487 3.373 20 0 EGADLP CC(C)c1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc(N(C)C)[nH+]1 ZINC000563475094 316027193 /nfs/dbraw/zinc/02/71/93/316027193.db2.gz YNPHDIYYRLHMLN-UHFFFAOYSA-N 2 2 336.443 3.090 20 0 EGADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000563765647 316065765 /nfs/dbraw/zinc/06/57/65/316065765.db2.gz GOHIMCZAXCZNQV-ZWKOTPCHSA-N 2 2 337.552 3.301 20 0 EGADLP CC(C)(C)[C@@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000563765647 316065768 /nfs/dbraw/zinc/06/57/68/316065768.db2.gz GOHIMCZAXCZNQV-ZWKOTPCHSA-N 2 2 337.552 3.301 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000563759761 316065931 /nfs/dbraw/zinc/06/59/31/316065931.db2.gz UEVSXAHDIBVAND-UYAOXDASSA-N 3 2 326.488 3.306 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000563759761 316065935 /nfs/dbraw/zinc/06/59/35/316065935.db2.gz UEVSXAHDIBVAND-UYAOXDASSA-N 3 2 326.488 3.306 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000564382521 316144535 /nfs/dbraw/zinc/14/45/35/316144535.db2.gz UCRYAAZBTRJTBS-SZPZYZBQSA-N 3 2 335.495 3.386 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564382521 316144541 /nfs/dbraw/zinc/14/45/41/316144541.db2.gz UCRYAAZBTRJTBS-SZPZYZBQSA-N 3 2 335.495 3.386 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccsc1 ZINC000564458738 316155575 /nfs/dbraw/zinc/15/55/75/316155575.db2.gz TZGDYILALWDEAV-ZBFHGGJFSA-N 2 2 334.489 3.095 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000565156772 316277068 /nfs/dbraw/zinc/27/70/68/316277068.db2.gz KQGCHUHFKHCFAO-AWEZNQCLSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000565156772 316277072 /nfs/dbraw/zinc/27/70/72/316277072.db2.gz KQGCHUHFKHCFAO-AWEZNQCLSA-N 2 2 326.375 3.204 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176190 316282563 /nfs/dbraw/zinc/28/25/63/316282563.db2.gz ZUUJUFFPZXOPFP-INIZCTEOSA-N 2 2 328.859 3.004 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176190 316282566 /nfs/dbraw/zinc/28/25/66/316282566.db2.gz ZUUJUFFPZXOPFP-INIZCTEOSA-N 2 2 328.859 3.004 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176190 316282571 /nfs/dbraw/zinc/28/25/71/316282571.db2.gz ZUUJUFFPZXOPFP-INIZCTEOSA-N 2 2 328.859 3.004 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000565176190 316282573 /nfs/dbraw/zinc/28/25/73/316282573.db2.gz ZUUJUFFPZXOPFP-INIZCTEOSA-N 2 2 328.859 3.004 20 0 EGADLP CC[NH+]1CCC(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000565440041 316324228 /nfs/dbraw/zinc/32/42/28/316324228.db2.gz JIBMEBAMWPWMTI-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)CC(C)C ZINC000565485037 316330570 /nfs/dbraw/zinc/33/05/70/316330570.db2.gz NXDMVNWFBMPBAK-SFHVURJKSA-N 2 2 348.535 3.441 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)CC(C)C ZINC000565485037 316330573 /nfs/dbraw/zinc/33/05/73/316330573.db2.gz NXDMVNWFBMPBAK-SFHVURJKSA-N 2 2 348.535 3.441 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000570886376 317120753 /nfs/dbraw/zinc/12/07/53/317120753.db2.gz VGSJYYSAAYQSIU-MRXNPFEDSA-N 2 2 330.394 3.348 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)C[C@@H]([NH3+])c3ccccc3)ccc2n1C1CC1 ZINC000572519842 317351271 /nfs/dbraw/zinc/35/12/71/317351271.db2.gz XZFXWLZKRLSYID-GOSISDBHSA-N 2 2 348.450 3.386 20 0 EGADLP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000574760509 317633946 /nfs/dbraw/zinc/63/39/46/317633946.db2.gz VHOXXOTWOKMHOJ-UHFFFAOYSA-N 2 2 345.531 3.094 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cscc2C(F)(F)F)CCCO1 ZINC000352863151 456370984 /nfs/dbraw/zinc/37/09/84/456370984.db2.gz STBRZBYOWFDNNC-LBPRGKRZSA-N 2 2 336.423 3.357 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Br)c1 ZINC000290581969 456372794 /nfs/dbraw/zinc/37/27/94/456372794.db2.gz UQZURXPHKIGNNW-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581969 456372803 /nfs/dbraw/zinc/37/28/03/456372803.db2.gz UQZURXPHKIGNNW-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000290581969 456372809 /nfs/dbraw/zinc/37/28/09/456372809.db2.gz UQZURXPHKIGNNW-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Cl ZINC000177372379 323339807 /nfs/dbraw/zinc/33/98/07/323339807.db2.gz ULMXHWQFMDRQIP-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1Cl ZINC000177372379 323339810 /nfs/dbraw/zinc/33/98/10/323339810.db2.gz ULMXHWQFMDRQIP-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@H+](C)Cc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000177372379 323339813 /nfs/dbraw/zinc/33/98/13/323339813.db2.gz ULMXHWQFMDRQIP-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000177372379 323339816 /nfs/dbraw/zinc/33/98/16/323339816.db2.gz ULMXHWQFMDRQIP-UHFFFAOYSA-N 2 2 344.330 3.451 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202632 323374873 /nfs/dbraw/zinc/37/48/73/323374873.db2.gz JYPWSYFTZFXAFW-ZJUUUORDSA-N 2 2 330.295 3.041 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202632 323374877 /nfs/dbraw/zinc/37/48/77/323374877.db2.gz JYPWSYFTZFXAFW-ZJUUUORDSA-N 2 2 330.295 3.041 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130889 324288461 /nfs/dbraw/zinc/28/84/61/324288461.db2.gz GHPXGJVMDMQSDH-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000392130889 324288464 /nfs/dbraw/zinc/28/84/64/324288464.db2.gz GHPXGJVMDMQSDH-GJZGRUSLSA-N 2 2 340.414 3.403 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)ccn12 ZINC000576647381 324655817 /nfs/dbraw/zinc/65/58/17/324655817.db2.gz CNHYEQBUUVCYNX-BEFAXECRSA-N 2 2 336.439 3.064 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccn1 ZINC000577913358 324886205 /nfs/dbraw/zinc/88/62/05/324886205.db2.gz FZFCGCBSCMTGOE-CYBMUJFWSA-N 2 2 326.375 3.266 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)cc2OCC(F)(F)F)n1C ZINC000578884952 325032992 /nfs/dbraw/zinc/03/29/92/325032992.db2.gz XRDDATPATCPIQX-UHFFFAOYSA-N 2 2 327.350 3.268 20 0 EGADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000579495198 325119718 /nfs/dbraw/zinc/11/97/18/325119718.db2.gz QIOCGSQWKPBXMQ-KRWDZBQOSA-N 2 2 328.456 3.428 20 0 EGADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000579495198 325119720 /nfs/dbraw/zinc/11/97/20/325119720.db2.gz QIOCGSQWKPBXMQ-KRWDZBQOSA-N 2 2 328.456 3.428 20 0 EGADLP CSCC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1nnc2ccccn21 ZINC000579707516 325149008 /nfs/dbraw/zinc/14/90/08/325149008.db2.gz GGOBILYNSNEHIT-MRXNPFEDSA-N 2 2 341.484 3.059 20 0 EGADLP Cc1cnccc1C[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000580281104 325227197 /nfs/dbraw/zinc/22/71/97/325227197.db2.gz LMURXGYGRUUNBN-GOSISDBHSA-N 2 2 339.483 3.380 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1)CC1CC1 ZINC000581194713 325340152 /nfs/dbraw/zinc/34/01/52/325340152.db2.gz HVKBMBLJTSQHSA-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1)CC1CC1 ZINC000581194713 325340155 /nfs/dbraw/zinc/34/01/55/325340155.db2.gz HVKBMBLJTSQHSA-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000581364309 325355406 /nfs/dbraw/zinc/35/54/06/325355406.db2.gz YINUOZNKOBVFPY-CABCVRRESA-N 2 2 337.345 3.257 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429860 325360779 /nfs/dbraw/zinc/36/07/79/325360779.db2.gz MNKDOQPFMGLRMH-AUUYWEPGSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000581429860 325360780 /nfs/dbraw/zinc/36/07/80/325360780.db2.gz MNKDOQPFMGLRMH-AUUYWEPGSA-N 2 2 344.434 3.321 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ncccn4)[C@H]3C2)cc1 ZINC000581836166 325392310 /nfs/dbraw/zinc/39/23/10/325392310.db2.gz WAKKIQPHEWEFLT-UFYCRDLUSA-N 2 2 336.483 3.257 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ncccn4)[C@H]3C2)cc1 ZINC000581836166 325392312 /nfs/dbraw/zinc/39/23/12/325392312.db2.gz WAKKIQPHEWEFLT-UFYCRDLUSA-N 2 2 336.483 3.257 20 0 EGADLP Oc1cccnc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851536 325392840 /nfs/dbraw/zinc/39/28/40/325392840.db2.gz QXZFDOQCFVLWCR-UYAOXDASSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851536 325392844 /nfs/dbraw/zinc/39/28/44/325392844.db2.gz QXZFDOQCFVLWCR-UYAOXDASSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581851536 325392846 /nfs/dbraw/zinc/39/28/46/325392846.db2.gz QXZFDOQCFVLWCR-UYAOXDASSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581851536 325392848 /nfs/dbraw/zinc/39/28/48/325392848.db2.gz QXZFDOQCFVLWCR-UYAOXDASSA-N 2 2 337.467 3.274 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCC(C)CC1 ZINC000581879659 325395769 /nfs/dbraw/zinc/39/57/69/325395769.db2.gz UIWZAVAOMNQJSA-AWEZNQCLSA-N 2 2 339.430 3.003 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000582591758 325454062 /nfs/dbraw/zinc/45/40/62/325454062.db2.gz NKQBOKCGGSDRKD-CYBMUJFWSA-N 2 2 339.468 3.372 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435612511 458172685 /nfs/dbraw/zinc/17/26/85/458172685.db2.gz GHKMIHDYKZMQPZ-LBPRGKRZSA-N 2 2 344.286 3.396 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435612511 458172678 /nfs/dbraw/zinc/17/26/78/458172678.db2.gz GHKMIHDYKZMQPZ-LBPRGKRZSA-N 2 2 344.286 3.396 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000532124222 459033499 /nfs/dbraw/zinc/03/34/99/459033499.db2.gz NEASBFUOHHNJTQ-HNNXBMFYSA-N 2 2 341.952 3.394 20 0 EGADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000532124222 459033503 /nfs/dbraw/zinc/03/35/03/459033503.db2.gz NEASBFUOHHNJTQ-HNNXBMFYSA-N 2 2 341.952 3.394 20 0 EGADLP CCCc1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000158903558 455336735 /nfs/dbraw/zinc/33/67/35/455336735.db2.gz LCGRNBPXPONNPB-MRXNPFEDSA-N 2 2 334.508 3.499 20 0 EGADLP CCCc1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000158903558 455336741 /nfs/dbraw/zinc/33/67/41/455336741.db2.gz LCGRNBPXPONNPB-MRXNPFEDSA-N 2 2 334.508 3.499 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158926743 455337692 /nfs/dbraw/zinc/33/76/92/455337692.db2.gz SIDMMNREBCXDDE-VQIMIIECSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158926743 455337697 /nfs/dbraw/zinc/33/76/97/455337697.db2.gz SIDMMNREBCXDDE-VQIMIIECSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158926743 455337705 /nfs/dbraw/zinc/33/77/05/455337705.db2.gz SIDMMNREBCXDDE-VQIMIIECSA-N 2 2 329.488 3.165 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158926743 455337711 /nfs/dbraw/zinc/33/77/11/455337711.db2.gz SIDMMNREBCXDDE-VQIMIIECSA-N 2 2 329.488 3.165 20 0 EGADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857238 460581738 /nfs/dbraw/zinc/58/17/38/460581738.db2.gz FLAYAUAROMOAQU-HOTGVXAUSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000631857238 460581745 /nfs/dbraw/zinc/58/17/45/460581745.db2.gz FLAYAUAROMOAQU-HOTGVXAUSA-N 2 2 339.439 3.229 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891439 460590857 /nfs/dbraw/zinc/59/08/57/460590857.db2.gz ZXKFYOCXNYVOJS-WBMJQRKESA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631891439 460590863 /nfs/dbraw/zinc/59/08/63/460590863.db2.gz ZXKFYOCXNYVOJS-WBMJQRKESA-N 2 2 339.277 3.032 20 0 EGADLP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075103983 453860911 /nfs/dbraw/zinc/86/09/11/453860911.db2.gz KQMWRGGZKNSCEH-IZHWHUGBSA-N 2 2 339.464 3.461 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000081516728 453881234 /nfs/dbraw/zinc/88/12/34/453881234.db2.gz DJNOBIQTULCSAX-ROUUACIJSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000081516728 453881239 /nfs/dbraw/zinc/88/12/39/453881239.db2.gz DJNOBIQTULCSAX-ROUUACIJSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000081516728 453881241 /nfs/dbraw/zinc/88/12/41/453881241.db2.gz DJNOBIQTULCSAX-ROUUACIJSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000081516728 453881243 /nfs/dbraw/zinc/88/12/43/453881243.db2.gz DJNOBIQTULCSAX-ROUUACIJSA-N 2 2 331.504 3.092 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517136 453881282 /nfs/dbraw/zinc/88/12/82/453881282.db2.gz BCSZOGSUHNZNNE-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517136 453881286 /nfs/dbraw/zinc/88/12/86/453881286.db2.gz BCSZOGSUHNZNNE-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517136 453881288 /nfs/dbraw/zinc/88/12/88/453881288.db2.gz BCSZOGSUHNZNNE-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000081517136 453881291 /nfs/dbraw/zinc/88/12/91/453881291.db2.gz BCSZOGSUHNZNNE-ZWKOTPCHSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572344 453890261 /nfs/dbraw/zinc/89/02/61/453890261.db2.gz QJERZSPFKBBCLU-FUHWJXTLSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572344 453890263 /nfs/dbraw/zinc/89/02/63/453890263.db2.gz QJERZSPFKBBCLU-FUHWJXTLSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572344 453890267 /nfs/dbraw/zinc/89/02/67/453890267.db2.gz QJERZSPFKBBCLU-FUHWJXTLSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572344 453890271 /nfs/dbraw/zinc/89/02/71/453890271.db2.gz QJERZSPFKBBCLU-FUHWJXTLSA-N 2 2 331.504 3.240 20 0 EGADLP Cn1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)nc2ccccc21 ZINC000066971419 453891304 /nfs/dbraw/zinc/89/13/04/453891304.db2.gz ILMSHCRJTNBFQP-UHFFFAOYSA-N 2 2 331.423 3.108 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000075551441 453903415 /nfs/dbraw/zinc/90/34/15/453903415.db2.gz LMQMDIMAHXZSQY-GOSISDBHSA-N 2 2 340.471 3.271 20 0 EGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000054286574 453920770 /nfs/dbraw/zinc/92/07/70/453920770.db2.gz PRXUUOJSBFYCIC-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000054286574 453920773 /nfs/dbraw/zinc/92/07/73/453920773.db2.gz PRXUUOJSBFYCIC-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000076002271 453947568 /nfs/dbraw/zinc/94/75/68/453947568.db2.gz PDSYFCBBGZERLZ-ZWKOTPCHSA-N 2 2 337.552 3.220 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1)C1CCCCC1 ZINC000076002271 453947571 /nfs/dbraw/zinc/94/75/71/453947571.db2.gz PDSYFCBBGZERLZ-ZWKOTPCHSA-N 2 2 337.552 3.220 20 0 EGADLP Cc1cccn2cc(CS(=O)Cc3cn4cccc(C)c4[nH+]3)[nH+]c12 ZINC000083953836 453962372 /nfs/dbraw/zinc/96/23/72/453962372.db2.gz PHTPQKCYIHGFOQ-UHFFFAOYSA-N 2 2 338.436 3.048 20 0 EGADLP CC[N@@H+](Cc1cn2ccccc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108404 453964479 /nfs/dbraw/zinc/96/44/79/453964479.db2.gz OZFGCCCXTISWAN-UHFFFAOYSA-N 2 2 349.482 3.468 20 0 EGADLP CC[N@H+](Cc1cn2ccccc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108404 453964482 /nfs/dbraw/zinc/96/44/82/453964482.db2.gz OZFGCCCXTISWAN-UHFFFAOYSA-N 2 2 349.482 3.468 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000076389543 453995818 /nfs/dbraw/zinc/99/58/18/453995818.db2.gz KQSFKJDGQASKHX-KRWDZBQOSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000076389543 453995820 /nfs/dbraw/zinc/99/58/20/453995820.db2.gz KQSFKJDGQASKHX-KRWDZBQOSA-N 2 2 348.450 3.071 20 0 EGADLP c1cn(-c2cc(Nc3ccc(CC[NH+]4CCCC4)cc3)ncn2)c[nH+]1 ZINC000077218893 454077233 /nfs/dbraw/zinc/07/72/33/454077233.db2.gz HWSDITFHGOOSFY-UHFFFAOYSA-N 2 2 334.427 3.044 20 0 EGADLP COc1ccccc1C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000089425245 454148065 /nfs/dbraw/zinc/14/80/65/454148065.db2.gz FONDMMYPKNKUIP-OALUTQOASA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCCO1 ZINC000089425245 454148070 /nfs/dbraw/zinc/14/80/70/454148070.db2.gz FONDMMYPKNKUIP-OALUTQOASA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCCO1 ZINC000089425245 454148072 /nfs/dbraw/zinc/14/80/72/454148072.db2.gz FONDMMYPKNKUIP-OALUTQOASA-N 2 2 332.488 3.161 20 0 EGADLP COc1ccccc1C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCCO1 ZINC000089425245 454148073 /nfs/dbraw/zinc/14/80/73/454148073.db2.gz FONDMMYPKNKUIP-OALUTQOASA-N 2 2 332.488 3.161 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000089510944 454157507 /nfs/dbraw/zinc/15/75/07/454157507.db2.gz RFZOHYARUTZXRZ-UHFFFAOYSA-N 2 2 341.484 3.060 20 0 EGADLP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)O[C@@H](C)C2 ZINC000089702114 454179765 /nfs/dbraw/zinc/17/97/65/454179765.db2.gz FTHVANLQCCQLHK-GJZGRUSLSA-N 2 2 341.455 3.191 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000071147059 454201536 /nfs/dbraw/zinc/20/15/36/454201536.db2.gz RMNBINUSXHKASH-LLVKDONJSA-N 2 2 347.684 3.023 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000071147059 454201538 /nfs/dbraw/zinc/20/15/38/454201538.db2.gz RMNBINUSXHKASH-LLVKDONJSA-N 2 2 347.684 3.023 20 0 EGADLP C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095968306 454242546 /nfs/dbraw/zinc/24/25/46/454242546.db2.gz XBLKIWZEHBXNBC-RDTXWAMCSA-N 2 2 327.453 3.492 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncc(C)o2)CC1 ZINC000095984728 454250084 /nfs/dbraw/zinc/25/00/84/454250084.db2.gz KLSDJUZYVLYNIN-HNNXBMFYSA-N 2 2 346.450 3.115 20 0 EGADLP CSc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cc1F ZINC000090047397 454266256 /nfs/dbraw/zinc/26/62/56/454266256.db2.gz JGGLYMZFKNGAET-ZIAGYGMSSA-N 2 2 326.481 3.309 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000090047714 454266774 /nfs/dbraw/zinc/26/67/74/454266774.db2.gz URWSDRXYDGMOML-KGLIPLIRSA-N 2 2 346.393 3.347 20 0 EGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@@H](C)O1 ZINC000060368489 454282548 /nfs/dbraw/zinc/28/25/48/454282548.db2.gz WJCKGZYZWQLPRJ-HZPDHXFCSA-N 2 2 349.519 3.293 20 0 EGADLP CCCCOC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305295 454293303 /nfs/dbraw/zinc/29/33/03/454293303.db2.gz MVHXWBVERDGTRG-QGZVFWFLSA-N 2 2 347.503 3.352 20 0 EGADLP CCCCOC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305295 454293307 /nfs/dbraw/zinc/29/33/07/454293307.db2.gz MVHXWBVERDGTRG-QGZVFWFLSA-N 2 2 347.503 3.352 20 0 EGADLP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(F)c1 ZINC000072577236 454312573 /nfs/dbraw/zinc/31/25/73/454312573.db2.gz NKICAUMKGWDCQH-UHFFFAOYSA-N 2 2 341.430 3.018 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000191071419 455437598 /nfs/dbraw/zinc/43/75/98/455437598.db2.gz RBWFRAIKANMGGD-UHFFFAOYSA-N 2 2 344.421 3.292 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000191071419 455437601 /nfs/dbraw/zinc/43/76/01/455437601.db2.gz RBWFRAIKANMGGD-UHFFFAOYSA-N 2 2 344.421 3.292 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090780103 454340262 /nfs/dbraw/zinc/34/02/62/454340262.db2.gz BZFOVRPZJFXVER-IERDGZPVSA-N 2 2 333.435 3.357 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000132819378 454368356 /nfs/dbraw/zinc/36/83/56/454368356.db2.gz BPRMLSVDDZJFJU-UZLBHIALSA-N 2 2 332.463 3.247 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000132819378 454368363 /nfs/dbraw/zinc/36/83/63/454368363.db2.gz BPRMLSVDDZJFJU-UZLBHIALSA-N 2 2 332.463 3.247 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC000121342499 454423785 /nfs/dbraw/zinc/42/37/85/454423785.db2.gz OHBMKEHYXRAWNJ-NRFANRHFSA-N 2 2 345.531 3.296 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000634980812 460639021 /nfs/dbraw/zinc/63/90/21/460639021.db2.gz OBIUBDQTFRACED-VQIMIIECSA-N 2 2 332.451 3.382 20 0 EGADLP C[C@@H]1[C@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000634980812 460639028 /nfs/dbraw/zinc/63/90/28/460639028.db2.gz OBIUBDQTFRACED-VQIMIIECSA-N 2 2 332.451 3.382 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000048683572 454507143 /nfs/dbraw/zinc/50/71/43/454507143.db2.gz DUEOTVUMRLORMB-UHFFFAOYSA-N 2 2 348.441 3.341 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246201000 455447650 /nfs/dbraw/zinc/44/76/50/455447650.db2.gz NJYUCROPDSKEOB-AZUAARDMSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246201000 455447654 /nfs/dbraw/zinc/44/76/54/455447654.db2.gz NJYUCROPDSKEOB-AZUAARDMSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752561 455448364 /nfs/dbraw/zinc/44/83/64/455448364.db2.gz QQYSZOWDMPOGKX-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752561 455448369 /nfs/dbraw/zinc/44/83/69/455448369.db2.gz QQYSZOWDMPOGKX-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(Oc3cc[nH+]cc3)c1)C2 ZINC000073997490 454516679 /nfs/dbraw/zinc/51/66/79/454516679.db2.gz CKCCWQJMYWCPGS-DLBZAZTESA-N 2 2 337.423 3.183 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(Oc3cc[nH+]cc3)c1)C2 ZINC000073997490 454516683 /nfs/dbraw/zinc/51/66/83/454516683.db2.gz CKCCWQJMYWCPGS-DLBZAZTESA-N 2 2 337.423 3.183 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073901 454517832 /nfs/dbraw/zinc/51/78/32/454517832.db2.gz ZVWXBIYQLXLZLX-QGZVFWFLSA-N 2 2 329.444 3.205 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073901 454517838 /nfs/dbraw/zinc/51/78/38/454517838.db2.gz ZVWXBIYQLXLZLX-QGZVFWFLSA-N 2 2 329.444 3.205 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000092587985 454591190 /nfs/dbraw/zinc/59/11/90/454591190.db2.gz RARLIILJYSTLMF-HZPDHXFCSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N(C)C)s2)C1 ZINC000092587985 454591196 /nfs/dbraw/zinc/59/11/96/454591196.db2.gz RARLIILJYSTLMF-HZPDHXFCSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000092587985 454591201 /nfs/dbraw/zinc/59/12/01/454591201.db2.gz RARLIILJYSTLMF-HZPDHXFCSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000092587985 454591206 /nfs/dbraw/zinc/59/12/06/454591206.db2.gz RARLIILJYSTLMF-HZPDHXFCSA-N 2 2 336.549 3.296 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)C1 ZINC000623626598 460647477 /nfs/dbraw/zinc/64/74/77/460647477.db2.gz ZRQJYDODKPKDTM-BPQIPLTHSA-N 2 2 337.458 3.141 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)C1 ZINC000623626598 460647481 /nfs/dbraw/zinc/64/74/81/460647481.db2.gz ZRQJYDODKPKDTM-BPQIPLTHSA-N 2 2 337.458 3.141 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106558681 454701589 /nfs/dbraw/zinc/70/15/89/454701589.db2.gz UQEHPGRMSIOPRE-INIZCTEOSA-N 2 2 335.496 3.158 20 0 EGADLP COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000124222051 454706843 /nfs/dbraw/zinc/70/68/43/454706843.db2.gz BANWKWYQQRREDZ-GFCCVEGCSA-N 2 2 347.286 3.202 20 0 EGADLP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000152685378 454712555 /nfs/dbraw/zinc/71/25/55/454712555.db2.gz WNLIBCIXJRGFDR-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124272904 454712999 /nfs/dbraw/zinc/71/29/99/454712999.db2.gz NSKSZNWFUOYYRR-INIZCTEOSA-N 2 2 328.460 3.357 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124272904 454713003 /nfs/dbraw/zinc/71/30/03/454713003.db2.gz NSKSZNWFUOYYRR-INIZCTEOSA-N 2 2 328.460 3.357 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000136253578 454732479 /nfs/dbraw/zinc/73/24/79/454732479.db2.gz VXJWXNOZALCPNC-QFQMRYFISA-N 2 2 340.471 3.116 20 0 EGADLP COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1OC ZINC000124470317 454737677 /nfs/dbraw/zinc/73/76/77/454737677.db2.gz BMVWCTISUPFMGE-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1OC ZINC000124470317 454737678 /nfs/dbraw/zinc/73/76/78/454737678.db2.gz BMVWCTISUPFMGE-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc(OC)c1OC ZINC000124470317 454737680 /nfs/dbraw/zinc/73/76/80/454737680.db2.gz BMVWCTISUPFMGE-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc(OC)c1OC ZINC000124470317 454737684 /nfs/dbraw/zinc/73/76/84/454737684.db2.gz BMVWCTISUPFMGE-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687977 454760874 /nfs/dbraw/zinc/76/08/74/454760874.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124687977 454760876 /nfs/dbraw/zinc/76/08/76/454760876.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124687977 454760879 /nfs/dbraw/zinc/76/08/79/454760879.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124687977 454760880 /nfs/dbraw/zinc/76/08/80/454760880.db2.gz DSUNOAMJWIFKFP-HXGPAPNJSA-N 3 2 329.532 3.215 20 0 EGADLP Fc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)c1 ZINC000635010968 460653822 /nfs/dbraw/zinc/65/38/22/460653822.db2.gz CCHMWQXTXBJPSQ-NHCUHLMSSA-N 2 2 339.458 3.441 20 0 EGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([S@@](C)=O)cc1 ZINC000162892241 454806923 /nfs/dbraw/zinc/80/69/23/454806923.db2.gz SMIQZLWFGURKCF-WNSKOXEYSA-N 2 2 331.485 3.362 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139974196 454814112 /nfs/dbraw/zinc/81/41/12/454814112.db2.gz DBKWOGKEKRQZDR-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139974196 454814116 /nfs/dbraw/zinc/81/41/16/454814116.db2.gz DBKWOGKEKRQZDR-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139974196 454814119 /nfs/dbraw/zinc/81/41/19/454814119.db2.gz DBKWOGKEKRQZDR-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139974196 454814124 /nfs/dbraw/zinc/81/41/24/454814124.db2.gz DBKWOGKEKRQZDR-PBHICJAKSA-N 2 2 335.879 3.003 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000153720794 454826211 /nfs/dbraw/zinc/82/62/11/454826211.db2.gz LOKXGACCMZIPIA-BETUJISGSA-N 2 2 345.830 3.350 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212670 454831160 /nfs/dbraw/zinc/83/11/60/454831160.db2.gz VWZZBFHWBGGUHV-QWRGUYRKSA-N 2 2 347.684 3.150 20 0 EGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000163212670 454831165 /nfs/dbraw/zinc/83/11/65/454831165.db2.gz VWZZBFHWBGGUHV-QWRGUYRKSA-N 2 2 347.684 3.150 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2c(C)cccc2CC)CC1 ZINC000109788343 454836621 /nfs/dbraw/zinc/83/66/21/454836621.db2.gz NYQINKMZGCBSKF-UHFFFAOYSA-N 2 2 331.504 3.302 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2c(C)cccc2CC)CC1 ZINC000109788343 454836625 /nfs/dbraw/zinc/83/66/25/454836625.db2.gz NYQINKMZGCBSKF-UHFFFAOYSA-N 2 2 331.504 3.302 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000177232450 454840220 /nfs/dbraw/zinc/84/02/20/454840220.db2.gz PKHPVAVKLIGTRS-UHFFFAOYSA-N 2 2 341.430 3.262 20 0 EGADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177368986 454856850 /nfs/dbraw/zinc/85/68/50/454856850.db2.gz CWNMKOYQQYWFNE-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000177368986 454856855 /nfs/dbraw/zinc/85/68/55/454856855.db2.gz CWNMKOYQQYWFNE-BBWFWOEESA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000163829852 454866066 /nfs/dbraw/zinc/86/60/66/454866066.db2.gz VTJWPCBICBXWPS-INIZCTEOSA-N 2 2 338.455 3.361 20 0 EGADLP Clc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000150765941 454888874 /nfs/dbraw/zinc/88/88/74/454888874.db2.gz SDSXIAMVCYDEQQ-AWEZNQCLSA-N 2 2 336.863 3.029 20 0 EGADLP Clc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000150765941 454888877 /nfs/dbraw/zinc/88/88/77/454888877.db2.gz SDSXIAMVCYDEQQ-AWEZNQCLSA-N 2 2 336.863 3.029 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256156 454909183 /nfs/dbraw/zinc/90/91/83/454909183.db2.gz KHTBTFLRXFCCKK-IPYPFGDCSA-N 2 2 327.472 3.192 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000166256156 454909185 /nfs/dbraw/zinc/90/91/85/454909185.db2.gz KHTBTFLRXFCCKK-IPYPFGDCSA-N 2 2 327.472 3.192 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126664169 454909860 /nfs/dbraw/zinc/90/98/60/454909860.db2.gz FITPQWPMSXVACL-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP CCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1OC(F)F ZINC000126664169 454909865 /nfs/dbraw/zinc/90/98/65/454909865.db2.gz FITPQWPMSXVACL-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000177954615 454922425 /nfs/dbraw/zinc/92/24/25/454922425.db2.gz JFACCFUYFKPSBH-AZUAARDMSA-N 2 2 339.483 3.269 20 0 EGADLP Cc1ccccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000177954615 454922426 /nfs/dbraw/zinc/92/24/26/454922426.db2.gz JFACCFUYFKPSBH-AZUAARDMSA-N 2 2 339.483 3.269 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)o1 ZINC000126997085 454931454 /nfs/dbraw/zinc/93/14/54/454931454.db2.gz LVIQUQZGPBPZMC-SFHVURJKSA-N 2 2 328.456 3.080 20 0 EGADLP COCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000126997085 454931457 /nfs/dbraw/zinc/93/14/57/454931457.db2.gz LVIQUQZGPBPZMC-SFHVURJKSA-N 2 2 328.456 3.080 20 0 EGADLP COC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000151140353 454943056 /nfs/dbraw/zinc/94/30/56/454943056.db2.gz UKLZJSPITCWKKP-HNNXBMFYSA-N 2 2 327.350 3.269 20 0 EGADLP Cc1cccn2c(CN3CCC[N@H+](Cc4ccccc4)CC3)c[nH+]c12 ZINC000127334850 454954353 /nfs/dbraw/zinc/95/43/53/454954353.db2.gz ZHZGVHNUBATIFU-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP Cc1cccn2c(CN3CCC[N@@H+](Cc4ccccc4)CC3)c[nH+]c12 ZINC000127334850 454954357 /nfs/dbraw/zinc/95/43/57/454954357.db2.gz ZHZGVHNUBATIFU-UHFFFAOYSA-N 2 2 334.467 3.351 20 0 EGADLP C[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480965 454956871 /nfs/dbraw/zinc/95/68/71/454956871.db2.gz GOURTEKDAIRVJW-NRFANRHFSA-N 2 2 342.458 3.456 20 0 EGADLP C[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480965 454956873 /nfs/dbraw/zinc/95/68/73/454956873.db2.gz GOURTEKDAIRVJW-NRFANRHFSA-N 2 2 342.458 3.456 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1C)CC(=O)OC ZINC000127459379 454967357 /nfs/dbraw/zinc/96/73/57/454967357.db2.gz IVXNIAXLDHFJCE-SFHVURJKSA-N 2 2 329.444 3.208 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000155174195 454971217 /nfs/dbraw/zinc/97/12/17/454971217.db2.gz NPQCASRWBYCWHY-WOGUSJMUSA-N 2 2 331.504 3.085 20 0 EGADLP CO[C@]1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000155174195 454971223 /nfs/dbraw/zinc/97/12/23/454971223.db2.gz NPQCASRWBYCWHY-WOGUSJMUSA-N 2 2 331.504 3.085 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@](O)(c3ccccc3)C(F)(F)F)n2c1 ZINC000178892071 454987841 /nfs/dbraw/zinc/98/78/41/454987841.db2.gz MLIXRSYHZSWNPO-QGZVFWFLSA-N 2 2 349.356 3.182 20 0 EGADLP Cc1cc(-c2noc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)ccc1F ZINC000151545616 455000149 /nfs/dbraw/zinc/00/01/49/455000149.db2.gz GFPHINSBEHSCAY-UHFFFAOYSA-N 2 2 341.390 3.218 20 0 EGADLP Fc1ccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CCOCC2)cc1 ZINC000179036511 455001613 /nfs/dbraw/zinc/00/16/13/455001613.db2.gz MSAULMYXQDDRKW-UHFFFAOYSA-N 2 2 325.387 3.269 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)s1 ZINC000151770897 455028596 /nfs/dbraw/zinc/02/85/96/455028596.db2.gz WUFOZTVDDYRBMS-HNAYVOBHSA-N 2 2 344.524 3.435 20 0 EGADLP CC[N@H+](CCCNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000128597466 455071244 /nfs/dbraw/zinc/07/12/44/455071244.db2.gz ZJWULCSBVAKFEI-UHFFFAOYSA-N 2 2 339.483 3.395 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000128597466 455071247 /nfs/dbraw/zinc/07/12/47/455071247.db2.gz ZJWULCSBVAKFEI-UHFFFAOYSA-N 2 2 339.483 3.395 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)n2)cc1 ZINC000152107920 455073806 /nfs/dbraw/zinc/07/38/06/455073806.db2.gz HGWNFAJXAFRFBV-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)n2)cc1 ZINC000152107920 455073809 /nfs/dbraw/zinc/07/38/09/455073809.db2.gz HGWNFAJXAFRFBV-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)n2)cc1 ZINC000152107920 455073810 /nfs/dbraw/zinc/07/38/10/455073810.db2.gz HGWNFAJXAFRFBV-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP COc1ccc(-c2noc([C@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)n2)cc1 ZINC000152107920 455073811 /nfs/dbraw/zinc/07/38/11/455073811.db2.gz HGWNFAJXAFRFBV-LSDHHAIUSA-N 2 2 344.459 3.080 20 0 EGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000156228482 455095622 /nfs/dbraw/zinc/09/56/22/455095622.db2.gz VCSQCTMIIXPSBM-HNNXBMFYSA-N 2 2 346.438 3.427 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394196 455112421 /nfs/dbraw/zinc/11/24/21/455112421.db2.gz DAELTGJQRSKUFN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152394196 455112424 /nfs/dbraw/zinc/11/24/24/455112424.db2.gz DAELTGJQRSKUFN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152394196 455112425 /nfs/dbraw/zinc/11/24/25/455112425.db2.gz DAELTGJQRSKUFN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152394196 455112429 /nfs/dbraw/zinc/11/24/29/455112429.db2.gz DAELTGJQRSKUFN-GVDBMIGSSA-N 2 2 349.544 3.074 20 0 EGADLP C[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129482994 455113362 /nfs/dbraw/zinc/11/33/62/455113362.db2.gz QOBRPRRFXVWOTJ-GUYCJALGSA-N 2 2 348.397 3.073 20 0 EGADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129482994 455113366 /nfs/dbraw/zinc/11/33/66/455113366.db2.gz QOBRPRRFXVWOTJ-GUYCJALGSA-N 2 2 348.397 3.073 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152411950 455115360 /nfs/dbraw/zinc/11/53/60/455115360.db2.gz LEZARKXMABXVJN-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152411950 455115365 /nfs/dbraw/zinc/11/53/65/455115365.db2.gz LEZARKXMABXVJN-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152411950 455115368 /nfs/dbraw/zinc/11/53/68/455115368.db2.gz LEZARKXMABXVJN-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152411950 455115372 /nfs/dbraw/zinc/11/53/72/455115372.db2.gz LEZARKXMABXVJN-CQSZACIVSA-N 2 2 346.496 3.462 20 0 EGADLP COc1ccc(OCCC[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156417182 455115885 /nfs/dbraw/zinc/11/58/85/455115885.db2.gz ITCMSUIJOHNJMV-LPHOPBHVSA-N 2 2 329.444 3.244 20 0 EGADLP COc1ccc(OCCC[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156417182 455115887 /nfs/dbraw/zinc/11/58/87/455115887.db2.gz ITCMSUIJOHNJMV-LPHOPBHVSA-N 2 2 329.444 3.244 20 0 EGADLP C[C@@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000180174670 455144224 /nfs/dbraw/zinc/14/42/24/455144224.db2.gz HBHVTWNAZXZPBC-OXJNMPFZSA-N 2 2 344.478 3.360 20 0 EGADLP C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180207261 455148272 /nfs/dbraw/zinc/14/82/72/455148272.db2.gz BATDHNVPVFJCME-PMACEKPBSA-N 2 2 346.434 3.048 20 0 EGADLP C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180207261 455148275 /nfs/dbraw/zinc/14/82/75/455148275.db2.gz BATDHNVPVFJCME-PMACEKPBSA-N 2 2 346.434 3.048 20 0 EGADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc2[nH+]ccn2c1 ZINC000180228360 455150149 /nfs/dbraw/zinc/15/01/49/455150149.db2.gz GKBXRPVHAOJAAP-UHFFFAOYSA-N 2 2 334.423 3.225 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)nnn1-c1ccc(F)cc1 ZINC000180403736 455164257 /nfs/dbraw/zinc/16/42/57/455164257.db2.gz XQQMICJSGYCPAJ-CQSZACIVSA-N 2 2 345.466 3.238 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182798795 455166409 /nfs/dbraw/zinc/16/64/09/455166409.db2.gz IFZWUSBKPCLGOT-IBGZPJMESA-N 2 2 348.441 3.320 20 0 EGADLP C[C@H]1CCC[C@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237598434 455197630 /nfs/dbraw/zinc/19/76/30/455197630.db2.gz VFNWOVFHILRXCA-PZJWPPBQSA-N 2 2 329.532 3.363 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000157478476 455198313 /nfs/dbraw/zinc/19/83/13/455198313.db2.gz PZEBLXVHTOPSOX-IBGZPJMESA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1)c1ccccc1 ZINC000157478476 455198318 /nfs/dbraw/zinc/19/83/18/455198318.db2.gz PZEBLXVHTOPSOX-IBGZPJMESA-N 2 2 331.504 3.060 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccccc1C(F)(F)F ZINC000181069687 455283464 /nfs/dbraw/zinc/28/34/64/455283464.db2.gz VFJOFWZUHXORDH-UHFFFAOYSA-N 2 2 327.350 3.303 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccccc1C(F)(F)F ZINC000181069687 455283468 /nfs/dbraw/zinc/28/34/68/455283468.db2.gz VFJOFWZUHXORDH-UHFFFAOYSA-N 2 2 327.350 3.303 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000245467492 455308768 /nfs/dbraw/zinc/30/87/68/455308768.db2.gz ZMZAMOOXTPLLMF-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1)c1ccccc1 ZINC000245467492 455308770 /nfs/dbraw/zinc/30/87/70/455308770.db2.gz ZMZAMOOXTPLLMF-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000245467492 455308771 /nfs/dbraw/zinc/30/87/71/455308771.db2.gz ZMZAMOOXTPLLMF-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)c1ccccc1 ZINC000245467492 455308773 /nfs/dbraw/zinc/30/87/73/455308773.db2.gz ZMZAMOOXTPLLMF-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500102 455315569 /nfs/dbraw/zinc/31/55/69/455315569.db2.gz ZMZRHSKDTLHVOS-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500102 455315574 /nfs/dbraw/zinc/31/55/74/455315574.db2.gz ZMZRHSKDTLHVOS-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500102 455315579 /nfs/dbraw/zinc/31/55/79/455315579.db2.gz ZMZRHSKDTLHVOS-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000245500102 455315584 /nfs/dbraw/zinc/31/55/84/455315584.db2.gz ZMZRHSKDTLHVOS-HZPDHXFCSA-N 2 2 328.460 3.380 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159015962 455345826 /nfs/dbraw/zinc/34/58/26/455345826.db2.gz BZNKQBWPKIAFNT-WOJBJXKFSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159015962 455345831 /nfs/dbraw/zinc/34/58/31/455345831.db2.gz BZNKQBWPKIAFNT-WOJBJXKFSA-N 2 2 338.499 3.390 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc2c(c1)CCC2 ZINC000265650725 455356150 /nfs/dbraw/zinc/35/61/50/455356150.db2.gz ODNYDBUDLHYGLQ-FQEVSTJZSA-N 2 2 341.499 3.064 20 0 EGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc2c(c1)CCC2 ZINC000265650725 455356154 /nfs/dbraw/zinc/35/61/54/455356154.db2.gz ODNYDBUDLHYGLQ-FQEVSTJZSA-N 2 2 341.499 3.064 20 0 EGADLP CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737280 455369507 /nfs/dbraw/zinc/36/95/07/455369507.db2.gz TYXHMSWRNUBONY-RLLQIKCJSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)C[C@@H]1C=CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737280 455369511 /nfs/dbraw/zinc/36/95/11/455369511.db2.gz TYXHMSWRNUBONY-RLLQIKCJSA-N 2 2 347.547 3.138 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000181728072 455376261 /nfs/dbraw/zinc/37/62/61/455376261.db2.gz IYZVJWRPQBRHIG-QWHCGFSZSA-N 2 2 341.293 3.450 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000181728072 455376262 /nfs/dbraw/zinc/37/62/62/455376262.db2.gz IYZVJWRPQBRHIG-QWHCGFSZSA-N 2 2 341.293 3.450 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3C[N@H+](CC(C)C)CCO3)oc21 ZINC000245900013 455395144 /nfs/dbraw/zinc/39/51/44/455395144.db2.gz NRHKJPPVGVPPFA-NVXWUHKLSA-N 2 2 346.471 3.449 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@@H]3C[N@@H+](CC(C)C)CCO3)oc21 ZINC000245900013 455395146 /nfs/dbraw/zinc/39/51/46/455395146.db2.gz NRHKJPPVGVPPFA-NVXWUHKLSA-N 2 2 346.471 3.449 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000184535980 455398855 /nfs/dbraw/zinc/39/88/55/455398855.db2.gz SCVSKSGORMWHIT-FQEVSTJZSA-N 2 2 339.483 3.032 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000184535980 455398857 /nfs/dbraw/zinc/39/88/57/455398857.db2.gz SCVSKSGORMWHIT-FQEVSTJZSA-N 2 2 339.483 3.032 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182091995 455434216 /nfs/dbraw/zinc/43/42/16/455434216.db2.gz PRJQLNPNFODZPJ-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182091995 455434221 /nfs/dbraw/zinc/43/42/21/455434221.db2.gz PRJQLNPNFODZPJ-GOSISDBHSA-N 2 2 349.482 3.369 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246201010 455447271 /nfs/dbraw/zinc/44/72/71/455447271.db2.gz NJYUCROPDSKEOB-ICSRJNTNSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246201010 455447276 /nfs/dbraw/zinc/44/72/76/455447276.db2.gz NJYUCROPDSKEOB-ICSRJNTNSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cnn1C(C)C ZINC000191188729 455460596 /nfs/dbraw/zinc/46/05/96/455460596.db2.gz KYDNUPCYMWZNDA-MRXNPFEDSA-N 2 2 341.503 3.483 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266964316 455485029 /nfs/dbraw/zinc/48/50/29/455485029.db2.gz XOPAPDXODJCHLE-AEFFLSMTSA-N 2 2 338.455 3.093 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cc1 ZINC000266964316 455485031 /nfs/dbraw/zinc/48/50/31/455485031.db2.gz XOPAPDXODJCHLE-AEFFLSMTSA-N 2 2 338.455 3.093 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000247267560 455580949 /nfs/dbraw/zinc/58/09/49/455580949.db2.gz ZRDFPYZBBPCXBP-PZJWPPBQSA-N 3 2 346.563 3.391 20 0 EGADLP CC(C)[NH+](CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000247267560 455580952 /nfs/dbraw/zinc/58/09/52/455580952.db2.gz ZRDFPYZBBPCXBP-PZJWPPBQSA-N 3 2 346.563 3.391 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114446 455593611 /nfs/dbraw/zinc/59/36/11/455593611.db2.gz KACDEQLHMBDLRS-JXFKEZNVSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000268114446 455593615 /nfs/dbraw/zinc/59/36/15/455593615.db2.gz KACDEQLHMBDLRS-JXFKEZNVSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000247394842 455595561 /nfs/dbraw/zinc/59/55/61/455595561.db2.gz WKPIALQAPLMQSM-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000247394842 455595563 /nfs/dbraw/zinc/59/55/63/455595563.db2.gz WKPIALQAPLMQSM-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP Fc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356188 455595689 /nfs/dbraw/zinc/59/56/89/455595689.db2.gz XYOSIFITQKJBDZ-LJQANCHMSA-N 2 2 328.431 3.206 20 0 EGADLP Fc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356188 455595695 /nfs/dbraw/zinc/59/56/95/455595695.db2.gz XYOSIFITQKJBDZ-LJQANCHMSA-N 2 2 328.431 3.206 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000192447909 455619196 /nfs/dbraw/zinc/61/91/96/455619196.db2.gz WJFFVDLECSJELO-SOAGJPPSSA-N 2 2 346.515 3.464 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000192447909 455619202 /nfs/dbraw/zinc/61/92/02/455619202.db2.gz WJFFVDLECSJELO-SOAGJPPSSA-N 2 2 346.515 3.464 20 0 EGADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc2c[nH+]cn2c1 ZINC000284060110 455631201 /nfs/dbraw/zinc/63/12/01/455631201.db2.gz PZFUUUUKMBSQOX-UHFFFAOYSA-N 2 2 349.438 3.040 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247777643 455645166 /nfs/dbraw/zinc/64/51/66/455645166.db2.gz XAYIDIIBRYBZPT-GJYPPUQNSA-N 2 2 340.471 3.356 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000247777643 455645167 /nfs/dbraw/zinc/64/51/67/455645167.db2.gz XAYIDIIBRYBZPT-GJYPPUQNSA-N 2 2 340.471 3.356 20 0 EGADLP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000247915685 455654926 /nfs/dbraw/zinc/65/49/26/455654926.db2.gz BATDHNVPVFJCME-WOJBJXKFSA-N 2 2 346.434 3.048 20 0 EGADLP C[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000247915685 455654930 /nfs/dbraw/zinc/65/49/30/455654930.db2.gz BATDHNVPVFJCME-WOJBJXKFSA-N 2 2 346.434 3.048 20 0 EGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000192627128 455655731 /nfs/dbraw/zinc/65/57/31/455655731.db2.gz CPMINOXSDOIMNR-INIZCTEOSA-N 2 2 346.471 3.359 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981588 455664411 /nfs/dbraw/zinc/66/44/11/455664411.db2.gz MWRLAULIQMHGBW-DEPWHIHDSA-N 2 2 347.547 3.396 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000247981588 455664413 /nfs/dbraw/zinc/66/44/13/455664413.db2.gz MWRLAULIQMHGBW-DEPWHIHDSA-N 2 2 347.547 3.396 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000271508728 455665047 /nfs/dbraw/zinc/66/50/47/455665047.db2.gz NKGBKFZZKLRXHV-IBGZPJMESA-N 2 2 342.462 3.223 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000247977947 455665312 /nfs/dbraw/zinc/66/53/12/455665312.db2.gz LRQLKFODXOQEKL-WIYYLYMNSA-N 2 2 339.483 3.351 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000247977947 455665315 /nfs/dbraw/zinc/66/53/15/455665315.db2.gz LRQLKFODXOQEKL-WIYYLYMNSA-N 2 2 339.483 3.351 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248003963 455669420 /nfs/dbraw/zinc/66/94/20/455669420.db2.gz KQFOZYSJXQPYDM-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248003963 455669425 /nfs/dbraw/zinc/66/94/25/455669425.db2.gz KQFOZYSJXQPYDM-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248003963 455669431 /nfs/dbraw/zinc/66/94/31/455669431.db2.gz KQFOZYSJXQPYDM-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248003963 455669436 /nfs/dbraw/zinc/66/94/36/455669436.db2.gz KQFOZYSJXQPYDM-RLFYNMQTSA-N 2 2 349.906 3.392 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248137882 455687675 /nfs/dbraw/zinc/68/76/75/455687675.db2.gz PHVXYTSQLMKZJG-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248137882 455687679 /nfs/dbraw/zinc/68/76/79/455687679.db2.gz PHVXYTSQLMKZJG-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248137882 455687685 /nfs/dbraw/zinc/68/76/85/455687685.db2.gz PHVXYTSQLMKZJG-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248137882 455687690 /nfs/dbraw/zinc/68/76/90/455687690.db2.gz PHVXYTSQLMKZJG-HZSPNIEDSA-N 2 2 332.473 3.275 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248167204 455692263 /nfs/dbraw/zinc/69/22/63/455692263.db2.gz TZOBCBIMFFUFEG-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248167204 455692270 /nfs/dbraw/zinc/69/22/70/455692270.db2.gz TZOBCBIMFFUFEG-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248167204 455692272 /nfs/dbraw/zinc/69/22/72/455692272.db2.gz TZOBCBIMFFUFEG-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248167204 455692278 /nfs/dbraw/zinc/69/22/78/455692278.db2.gz TZOBCBIMFFUFEG-DAYGRLMNSA-N 2 2 349.906 3.392 20 0 EGADLP C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277900511 455702800 /nfs/dbraw/zinc/70/28/00/455702800.db2.gz UIVGEHRLIJOHGO-JSGCOSHPSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@H](Nc1nc[nH+]c(N)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277900511 455702803 /nfs/dbraw/zinc/70/28/03/455702803.db2.gz UIVGEHRLIJOHGO-JSGCOSHPSA-N 2 2 331.851 3.035 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000271622848 455703636 /nfs/dbraw/zinc/70/36/36/455703636.db2.gz FJHKWXMECCAHBM-HNNXBMFYSA-N 2 2 328.243 3.245 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000271622848 455703643 /nfs/dbraw/zinc/70/36/43/455703643.db2.gz FJHKWXMECCAHBM-HNNXBMFYSA-N 2 2 328.243 3.245 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2OC(F)(F)F)CCCO1 ZINC000278032352 455738847 /nfs/dbraw/zinc/73/88/47/455738847.db2.gz WZLYMDISFPNJBU-CQSZACIVSA-N 2 2 346.393 3.176 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2OC(F)(F)F)CCCO1 ZINC000278032352 455738851 /nfs/dbraw/zinc/73/88/51/455738851.db2.gz WZLYMDISFPNJBU-CQSZACIVSA-N 2 2 346.393 3.176 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2F)[C@@H](C)C1 ZINC000249212136 455747012 /nfs/dbraw/zinc/74/70/12/455747012.db2.gz DBZCUVFUOSGFAR-RDJZCZTQSA-N 2 2 338.467 3.061 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2F)[C@@H](C)C1 ZINC000249212136 455747016 /nfs/dbraw/zinc/74/70/16/455747016.db2.gz DBZCUVFUOSGFAR-RDJZCZTQSA-N 2 2 338.467 3.061 20 0 EGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000268989968 455755231 /nfs/dbraw/zinc/75/52/31/455755231.db2.gz VMJACTWOMVNCEN-WOJBJXKFSA-N 2 2 340.467 3.414 20 0 EGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000278158531 455773120 /nfs/dbraw/zinc/77/31/20/455773120.db2.gz ATZSBVJLZVSXJC-DFQSSKMNSA-N 2 2 340.467 3.130 20 0 EGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000278158531 455773125 /nfs/dbraw/zinc/77/31/25/455773125.db2.gz ATZSBVJLZVSXJC-DFQSSKMNSA-N 2 2 340.467 3.130 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000269068385 455781219 /nfs/dbraw/zinc/78/12/19/455781219.db2.gz WGRAFYAZGPVUJA-ZYSHUDEJSA-N 2 2 330.497 3.282 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccsc1 ZINC000269068385 455781223 /nfs/dbraw/zinc/78/12/23/455781223.db2.gz WGRAFYAZGPVUJA-ZYSHUDEJSA-N 2 2 330.497 3.282 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000278194105 455782865 /nfs/dbraw/zinc/78/28/65/455782865.db2.gz FQGWZYLFLNZTED-LBPRGKRZSA-N 2 2 327.384 3.075 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000271844972 455783680 /nfs/dbraw/zinc/78/36/80/455783680.db2.gz UQHIRJMNPBUQGP-QGZVFWFLSA-N 2 2 346.515 3.360 20 0 EGADLP C[C@@H](CC[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000194303641 455826546 /nfs/dbraw/zinc/82/65/46/455826546.db2.gz HLPGCECCIQFNFV-SFHVURJKSA-N 3 2 329.532 3.328 20 0 EGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000269351235 455841078 /nfs/dbraw/zinc/84/10/78/455841078.db2.gz KMKDEATYOHTDEF-UHFFFAOYSA-N 2 2 348.874 3.489 20 0 EGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000269351235 455841084 /nfs/dbraw/zinc/84/10/84/455841084.db2.gz KMKDEATYOHTDEF-UHFFFAOYSA-N 2 2 348.874 3.489 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC(C)(C)OC3(C)C)[nH+]c2)CC1 ZINC000272188526 455870962 /nfs/dbraw/zinc/87/09/62/455870962.db2.gz GXELBYISFXVEFV-QGZVFWFLSA-N 2 2 346.519 3.370 20 0 EGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209586 455878035 /nfs/dbraw/zinc/87/80/35/455878035.db2.gz PYTVYUIQSNHJOH-HKUYNNGSSA-N 3 2 334.467 3.335 20 0 EGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209586 455878039 /nfs/dbraw/zinc/87/80/39/455878039.db2.gz PYTVYUIQSNHJOH-HKUYNNGSSA-N 3 2 334.467 3.335 20 0 EGADLP c1c[nH+]c([C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2cccnc2)[nH]1 ZINC000194972966 455908656 /nfs/dbraw/zinc/90/86/56/455908656.db2.gz OJKNGMHYBREAOY-HXUWFJFHSA-N 2 2 347.466 3.280 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)n1-c1ccccc1 ZINC000270316406 455927915 /nfs/dbraw/zinc/92/79/15/455927915.db2.gz WRNBLZSPMVZRPM-FQEVSTJZSA-N 2 2 339.414 3.317 20 0 EGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C)c1 ZINC000285854656 455928438 /nfs/dbraw/zinc/92/84/38/455928438.db2.gz ZGCOCGUGSWQTPW-NXEWRWPSSA-N 2 2 343.515 3.119 20 0 EGADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C)c1 ZINC000285854656 455928443 /nfs/dbraw/zinc/92/84/43/455928443.db2.gz ZGCOCGUGSWQTPW-NXEWRWPSSA-N 2 2 343.515 3.119 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000261757203 455942252 /nfs/dbraw/zinc/94/22/52/455942252.db2.gz QPXBDVPKAMKHGO-SFTDATJTSA-N 2 2 343.515 3.095 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000261757203 455942256 /nfs/dbraw/zinc/94/22/56/455942256.db2.gz QPXBDVPKAMKHGO-SFTDATJTSA-N 2 2 343.515 3.095 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000187786115 455952478 /nfs/dbraw/zinc/95/24/78/455952478.db2.gz ZKFOKBYNHWYCNC-VQTJNVASSA-N 2 2 338.499 3.371 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000187786115 455952483 /nfs/dbraw/zinc/95/24/83/455952483.db2.gz ZKFOKBYNHWYCNC-VQTJNVASSA-N 2 2 338.499 3.371 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OC(F)F ZINC000261812908 455952473 /nfs/dbraw/zinc/95/24/73/455952473.db2.gz VUEIKWSCAUTIQZ-OCCSQVGLSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OC(F)F ZINC000261812908 455952477 /nfs/dbraw/zinc/95/24/77/455952477.db2.gz VUEIKWSCAUTIQZ-OCCSQVGLSA-N 2 2 328.403 3.246 20 0 EGADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261954086 455977317 /nfs/dbraw/zinc/97/73/17/455977317.db2.gz OKIBWGYEIXRGOS-SFHVURJKSA-N 2 2 336.483 3.004 20 0 EGADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc3c2NCC3)C1 ZINC000261954086 455977325 /nfs/dbraw/zinc/97/73/25/455977325.db2.gz OKIBWGYEIXRGOS-SFHVURJKSA-N 2 2 336.483 3.004 20 0 EGADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261954086 455977332 /nfs/dbraw/zinc/97/73/32/455977332.db2.gz OKIBWGYEIXRGOS-SFHVURJKSA-N 2 2 336.483 3.004 20 0 EGADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261954086 455977335 /nfs/dbraw/zinc/97/73/35/455977335.db2.gz OKIBWGYEIXRGOS-SFHVURJKSA-N 2 2 336.483 3.004 20 0 EGADLP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000296584196 455980571 /nfs/dbraw/zinc/98/05/71/455980571.db2.gz XAKJPXKNVVJZFS-AWEZNQCLSA-N 2 2 326.444 3.213 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@@H](COc4ccccc4)C3)cn2)c[nH+]1 ZINC000272546555 455989877 /nfs/dbraw/zinc/98/98/77/455989877.db2.gz KEEBEDOQRFAEIA-GOSISDBHSA-N 2 2 334.423 3.168 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)cn2)c[nH+]1 ZINC000272546555 455989884 /nfs/dbraw/zinc/98/98/84/455989884.db2.gz KEEBEDOQRFAEIA-GOSISDBHSA-N 2 2 334.423 3.168 20 0 EGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000270624836 455998357 /nfs/dbraw/zinc/99/83/57/455998357.db2.gz KRFQQAAWCHUXIF-UHFFFAOYSA-N 2 2 341.484 3.014 20 0 EGADLP [NH3+]CCc1nc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cs1 ZINC000262421014 456034150 /nfs/dbraw/zinc/03/41/50/456034150.db2.gz UZJXSJUGYSSOBF-UHFFFAOYSA-N 2 2 341.440 3.040 20 0 EGADLP C[N@H+](Cc1cccc(F)c1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188320063 456042780 /nfs/dbraw/zinc/04/27/80/456042780.db2.gz YWGSKYCQQPSTTH-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188320063 456042784 /nfs/dbraw/zinc/04/27/84/456042784.db2.gz YWGSKYCQQPSTTH-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cccc(F)c1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188320063 456042787 /nfs/dbraw/zinc/04/27/87/456042787.db2.gz YWGSKYCQQPSTTH-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[NH+](Cc1cccc(F)c1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188320063 456042791 /nfs/dbraw/zinc/04/27/91/456042791.db2.gz YWGSKYCQQPSTTH-HXUWFJFHSA-N 2 2 346.421 3.034 20 0 EGADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692686 456112441 /nfs/dbraw/zinc/11/24/41/456112441.db2.gz KLBVLDSJFYQSTR-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692686 456112444 /nfs/dbraw/zinc/11/24/44/456112444.db2.gz KLBVLDSJFYQSTR-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692686 456112451 /nfs/dbraw/zinc/11/24/51/456112451.db2.gz KLBVLDSJFYQSTR-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000226692686 456112452 /nfs/dbraw/zinc/11/24/52/456112452.db2.gz KLBVLDSJFYQSTR-AZUAARDMSA-N 2 2 343.515 3.014 20 0 EGADLP O=c1[nH]cccc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000623777550 460714590 /nfs/dbraw/zinc/71/45/90/460714590.db2.gz JHVYIENCYLPHDQ-UHFFFAOYSA-N 2 2 331.847 3.195 20 0 EGADLP c1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301471567 456124605 /nfs/dbraw/zinc/12/46/05/456124605.db2.gz PKILIAHDARMDIP-KRWDZBQOSA-N 2 2 329.492 3.143 20 0 EGADLP c1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301471567 456124609 /nfs/dbraw/zinc/12/46/09/456124609.db2.gz PKILIAHDARMDIP-KRWDZBQOSA-N 2 2 329.492 3.143 20 0 EGADLP CSc1cc2c(cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OCCO2 ZINC000271191768 456162934 /nfs/dbraw/zinc/16/29/34/456162934.db2.gz MEIUPEHTQOCGQD-HIFRSBDPSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)OCCO2 ZINC000271191768 456162940 /nfs/dbraw/zinc/16/29/40/456162940.db2.gz MEIUPEHTQOCGQD-HIFRSBDPSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)OCCO2 ZINC000271191768 456162945 /nfs/dbraw/zinc/16/29/45/456162945.db2.gz MEIUPEHTQOCGQD-HIFRSBDPSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OCCO2 ZINC000271191768 456162952 /nfs/dbraw/zinc/16/29/52/456162952.db2.gz MEIUPEHTQOCGQD-HIFRSBDPSA-N 2 2 336.501 3.094 20 0 EGADLP CC(C)(C)c1cc(NCC2CC[NH+](CCO)CC2)nc(C(C)(C)C)[nH+]1 ZINC000301723262 456197923 /nfs/dbraw/zinc/19/79/23/456197923.db2.gz KWJWOLXHCPFHRC-UHFFFAOYSA-N 2 2 348.535 3.188 20 0 EGADLP C[C@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@H]1C[N@H+](C)CCO1 ZINC000301734282 456200395 /nfs/dbraw/zinc/20/03/95/456200395.db2.gz AOIMHWRVCBYTED-UONOGXRCSA-N 2 2 334.508 3.203 20 0 EGADLP C[C@H](Nc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000301734282 456200402 /nfs/dbraw/zinc/20/04/02/456200402.db2.gz AOIMHWRVCBYTED-UONOGXRCSA-N 2 2 334.508 3.203 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000297376982 456203644 /nfs/dbraw/zinc/20/36/44/456203644.db2.gz ICMIFCDVYBOMPH-SFHVURJKSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000297376982 456203650 /nfs/dbraw/zinc/20/36/50/456203650.db2.gz ICMIFCDVYBOMPH-SFHVURJKSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000297376982 456203658 /nfs/dbraw/zinc/20/36/58/456203658.db2.gz ICMIFCDVYBOMPH-SFHVURJKSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000297376982 456203663 /nfs/dbraw/zinc/20/36/63/456203663.db2.gz ICMIFCDVYBOMPH-SFHVURJKSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000281350004 456210027 /nfs/dbraw/zinc/21/00/27/456210027.db2.gz MMKYSMXHPGVUFO-UHFFFAOYSA-N 2 2 326.488 3.310 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000281350004 456210032 /nfs/dbraw/zinc/21/00/32/456210032.db2.gz MMKYSMXHPGVUFO-UHFFFAOYSA-N 2 2 326.488 3.310 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415736 456214878 /nfs/dbraw/zinc/21/48/78/456214878.db2.gz LVEIECSYDBYBMO-GDBMZVCRSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415736 456214883 /nfs/dbraw/zinc/21/48/83/456214883.db2.gz LVEIECSYDBYBMO-GDBMZVCRSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415736 456214889 /nfs/dbraw/zinc/21/48/89/456214889.db2.gz LVEIECSYDBYBMO-GDBMZVCRSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)c1O ZINC000297415736 456214895 /nfs/dbraw/zinc/21/48/95/456214895.db2.gz LVEIECSYDBYBMO-GDBMZVCRSA-N 2 2 338.879 3.360 20 0 EGADLP C[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)[N@@H+]1CCc2sccc2C1 ZINC000301806765 456219572 /nfs/dbraw/zinc/21/95/72/456219572.db2.gz CAQCVADEBSACRY-ZDUSSCGKSA-N 2 2 343.500 3.219 20 0 EGADLP C[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)[N@H+]1CCc2sccc2C1 ZINC000301806765 456219578 /nfs/dbraw/zinc/21/95/78/456219578.db2.gz CAQCVADEBSACRY-ZDUSSCGKSA-N 2 2 343.500 3.219 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416515 456228623 /nfs/dbraw/zinc/22/86/23/456228623.db2.gz YRXBIQDYIUFZFA-YSHGAJCASA-N 2 2 340.471 3.029 20 0 EGADLP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000281416515 456228629 /nfs/dbraw/zinc/22/86/29/456228629.db2.gz YRXBIQDYIUFZFA-YSHGAJCASA-N 2 2 340.471 3.029 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000237087279 456230230 /nfs/dbraw/zinc/23/02/30/456230230.db2.gz HEOGCEZPSCAFBO-KRWDZBQOSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000237087279 456230238 /nfs/dbraw/zinc/23/02/38/456230238.db2.gz HEOGCEZPSCAFBO-KRWDZBQOSA-N 2 2 346.906 3.385 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3CCC[N@H+]3C)cc2)cs1 ZINC000237087696 456230420 /nfs/dbraw/zinc/23/04/20/456230420.db2.gz SHPLDXKEUUKNFZ-KRWDZBQOSA-N 2 2 331.485 3.214 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+]3C)cc2)cs1 ZINC000237087696 456230425 /nfs/dbraw/zinc/23/04/25/456230425.db2.gz SHPLDXKEUUKNFZ-KRWDZBQOSA-N 2 2 331.485 3.214 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000281446088 456237743 /nfs/dbraw/zinc/23/77/43/456237743.db2.gz SLKXEUKOLRZWIL-OXQOHEQNSA-N 2 2 326.488 3.383 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000281446088 456237749 /nfs/dbraw/zinc/23/77/49/456237749.db2.gz SLKXEUKOLRZWIL-OXQOHEQNSA-N 2 2 326.488 3.383 20 0 EGADLP CC[N@@H+](Cc1c(C)cnn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290109010 456242669 /nfs/dbraw/zinc/24/26/69/456242669.db2.gz SOPYHISXFJTJIB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1c(C)cnn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290109010 456242672 /nfs/dbraw/zinc/24/26/72/456242672.db2.gz SOPYHISXFJTJIB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1c(C)cnn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290109010 456242678 /nfs/dbraw/zinc/24/26/78/456242678.db2.gz SOPYHISXFJTJIB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1c(C)cnn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290109010 456242682 /nfs/dbraw/zinc/24/26/82/456242682.db2.gz SOPYHISXFJTJIB-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP C[NH+](C)Cc1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1F ZINC000301894419 456244511 /nfs/dbraw/zinc/24/45/11/456244511.db2.gz MZLVVJFUVDVDRA-UHFFFAOYSA-N 2 2 325.391 3.025 20 0 EGADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(N)c2ccccc2[nH+]1 ZINC000301914636 456249502 /nfs/dbraw/zinc/24/95/02/456249502.db2.gz UZBHXMJXONHCQY-KRWDZBQOSA-N 2 2 347.466 3.170 20 0 EGADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(N)c2ccccc2[nH+]1 ZINC000301914636 456249512 /nfs/dbraw/zinc/24/95/12/456249512.db2.gz UZBHXMJXONHCQY-KRWDZBQOSA-N 2 2 347.466 3.170 20 0 EGADLP CCOC(=O)c1c[nH+]ccc1N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000281508151 456252505 /nfs/dbraw/zinc/25/25/05/456252505.db2.gz PEBNXFAFLPFQJG-UHFFFAOYSA-N 2 2 341.411 3.010 20 0 EGADLP CC(C)c1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000333711661 456252875 /nfs/dbraw/zinc/25/28/75/456252875.db2.gz SKGGHMMFBOPCEM-LPHOPBHVSA-N 2 2 346.519 3.446 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nnc(C(C)(C)C)[nH]3)CC2)C1 ZINC000333820704 456266322 /nfs/dbraw/zinc/26/63/22/456266322.db2.gz IXEGKLOTCMORAQ-ZBFHGGJFSA-N 2 2 333.524 3.235 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c2ccccc21 ZINC000333838505 456268154 /nfs/dbraw/zinc/26/81/54/456268154.db2.gz NUDBMOJGKOXEFG-QRVBRYPASA-N 2 2 327.472 3.045 20 0 EGADLP Cc1cccc(NC[C@H]2CCN(c3nc(C)[nH+]c4c3CCCC4)C2)[nH+]1 ZINC000302027839 456271438 /nfs/dbraw/zinc/27/14/38/456271438.db2.gz AOADOJMYGBLTQL-MRXNPFEDSA-N 2 2 337.471 3.306 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000297655180 456271879 /nfs/dbraw/zinc/27/18/79/456271879.db2.gz JFDSNYDUPRXBCE-ROUUACIJSA-N 2 2 349.950 3.373 20 0 EGADLP Cc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000342870604 456284709 /nfs/dbraw/zinc/28/47/09/456284709.db2.gz GJJCAJQPILMSCQ-FQEVSTJZSA-N 2 2 348.450 3.213 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000275680527 456285760 /nfs/dbraw/zinc/28/57/60/456285760.db2.gz YZDMAKUFCZSOMQ-CQSZACIVSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1ccccc1-n1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000275680527 456285769 /nfs/dbraw/zinc/28/57/69/456285769.db2.gz YZDMAKUFCZSOMQ-CQSZACIVSA-N 2 2 325.391 3.114 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000290317826 456288697 /nfs/dbraw/zinc/28/86/97/456288697.db2.gz JGGAEDWBSRLHTL-HLLBOEOZSA-N 2 2 345.512 3.339 20 0 EGADLP C[C@H](O)c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000290317826 456288702 /nfs/dbraw/zinc/28/87/02/456288702.db2.gz JGGAEDWBSRLHTL-HLLBOEOZSA-N 2 2 345.512 3.339 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320130 456290449 /nfs/dbraw/zinc/29/04/49/456290449.db2.gz CWOMTXWBLZEJMM-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320130 456290452 /nfs/dbraw/zinc/29/04/52/456290452.db2.gz CWOMTXWBLZEJMM-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)cc1F ZINC000290320130 456290457 /nfs/dbraw/zinc/29/04/57/456290457.db2.gz CWOMTXWBLZEJMM-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)cc1F ZINC000290320130 456290461 /nfs/dbraw/zinc/29/04/61/456290461.db2.gz CWOMTXWBLZEJMM-IAQYHMDHSA-N 2 2 329.257 3.360 20 0 EGADLP CCCOc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000352774924 456294677 /nfs/dbraw/zinc/29/46/77/456294677.db2.gz YPVXZWHIHKRUHI-UHFFFAOYSA-N 2 2 349.500 3.292 20 0 EGADLP CC(C)n1cncc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336788886 456308751 /nfs/dbraw/zinc/30/87/51/456308751.db2.gz HTKFEKPITRQNNH-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336788886 456308754 /nfs/dbraw/zinc/30/87/54/456308754.db2.gz HTKFEKPITRQNNH-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336788886 456308757 /nfs/dbraw/zinc/30/87/57/456308757.db2.gz HTKFEKPITRQNNH-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cncc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336788886 456308760 /nfs/dbraw/zinc/30/87/60/456308760.db2.gz HTKFEKPITRQNNH-WOJBJXKFSA-N 2 2 338.499 3.418 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000352799232 456318594 /nfs/dbraw/zinc/31/85/94/456318594.db2.gz LRJMUQKQOHJSAA-SFHVURJKSA-N 2 2 344.499 3.417 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000352799232 456318601 /nfs/dbraw/zinc/31/86/01/456318601.db2.gz LRJMUQKQOHJSAA-SFHVURJKSA-N 2 2 344.499 3.417 20 0 EGADLP COC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)C1CCCC1 ZINC000275833787 456326322 /nfs/dbraw/zinc/32/63/22/456326322.db2.gz IIBOKAVSOOZCPH-IBGZPJMESA-N 2 2 346.519 3.229 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc(C)cc[nH+]3)C2)cc(OC)c1 ZINC000347734484 456337104 /nfs/dbraw/zinc/33/71/04/456337104.db2.gz HHVOGBXHFCSBGW-MRXNPFEDSA-N 2 2 327.428 3.094 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](Nc3cc(C)cc[nH+]3)C2)cc(OC)c1 ZINC000347734484 456337107 /nfs/dbraw/zinc/33/71/07/456337107.db2.gz HHVOGBXHFCSBGW-MRXNPFEDSA-N 2 2 327.428 3.094 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000340268919 456351633 /nfs/dbraw/zinc/35/16/33/456351633.db2.gz WHFXXJQVYCBJHD-JBACZVJFSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000340268919 456351643 /nfs/dbraw/zinc/35/16/43/456351643.db2.gz WHFXXJQVYCBJHD-JBACZVJFSA-N 2 2 349.478 3.217 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cscc2C(F)(F)F)CCCO1 ZINC000352863151 456370977 /nfs/dbraw/zinc/37/09/77/456370977.db2.gz STBRZBYOWFDNNC-LBPRGKRZSA-N 2 2 336.423 3.357 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000340299564 456371300 /nfs/dbraw/zinc/37/13/00/456371300.db2.gz ZQZFRRVHQKDQLM-ZCNNSNEGSA-N 2 2 328.431 3.284 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000340299564 456371306 /nfs/dbraw/zinc/37/13/06/456371306.db2.gz ZQZFRRVHQKDQLM-ZCNNSNEGSA-N 2 2 328.431 3.284 20 0 EGADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(Br)c1 ZINC000290581969 456372791 /nfs/dbraw/zinc/37/27/91/456372791.db2.gz UQZURXPHKIGNNW-BLLLJJGKSA-N 2 2 341.293 3.230 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)s1 ZINC000347855369 456406834 /nfs/dbraw/zinc/40/68/34/456406834.db2.gz MYFNKESGSBFELY-GOSISDBHSA-N 2 2 345.512 3.077 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)s1 ZINC000347855369 456406842 /nfs/dbraw/zinc/40/68/42/456406842.db2.gz MYFNKESGSBFELY-GOSISDBHSA-N 2 2 345.512 3.077 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(OCC3CCCC3)CC2)s1 ZINC000347862426 456412756 /nfs/dbraw/zinc/41/27/56/456412756.db2.gz JXWYPMWJMRAJHS-UHFFFAOYSA-N 2 2 337.533 3.376 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337609993 456421624 /nfs/dbraw/zinc/42/16/24/456421624.db2.gz XNLWPPYOWZBTFP-LJQANCHMSA-N 2 2 349.494 3.201 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000352929402 456421828 /nfs/dbraw/zinc/42/18/28/456421828.db2.gz GUUKPQZNQMOXLJ-PZJWPPBQSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352929402 456421829 /nfs/dbraw/zinc/42/18/29/456421829.db2.gz GUUKPQZNQMOXLJ-PZJWPPBQSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352929402 456421832 /nfs/dbraw/zinc/42/18/32/456421832.db2.gz GUUKPQZNQMOXLJ-PZJWPPBQSA-N 2 2 338.499 3.074 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352929402 456421836 /nfs/dbraw/zinc/42/18/36/456421836.db2.gz GUUKPQZNQMOXLJ-PZJWPPBQSA-N 2 2 338.499 3.074 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)n1 ZINC000340390404 456432586 /nfs/dbraw/zinc/43/25/86/456432586.db2.gz RAPATTSVVOYOEO-QZTJIDSGSA-N 2 2 341.455 3.024 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)n1 ZINC000340390404 456432591 /nfs/dbraw/zinc/43/25/91/456432591.db2.gz RAPATTSVVOYOEO-QZTJIDSGSA-N 2 2 341.455 3.024 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913984 456433253 /nfs/dbraw/zinc/43/32/53/456433253.db2.gz UWYZLYYOFMASMA-QZTJIDSGSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302913984 456433262 /nfs/dbraw/zinc/43/32/62/456433262.db2.gz UWYZLYYOFMASMA-QZTJIDSGSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913984 456433271 /nfs/dbraw/zinc/43/32/71/456433271.db2.gz UWYZLYYOFMASMA-QZTJIDSGSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302913984 456433283 /nfs/dbraw/zinc/43/32/83/456433283.db2.gz UWYZLYYOFMASMA-QZTJIDSGSA-N 2 2 343.519 3.168 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282178704 456433937 /nfs/dbraw/zinc/43/39/37/456433937.db2.gz MQUXWEKTRWZDDQ-KRWDZBQOSA-N 2 2 344.503 3.300 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000290841804 456443964 /nfs/dbraw/zinc/44/39/64/456443964.db2.gz YPKJZYLFGCECBB-OAHLLOKOSA-N 2 2 341.415 3.132 20 0 EGADLP Cc1nc2ccccn2c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000348187617 456524854 /nfs/dbraw/zinc/52/48/54/456524854.db2.gz PSPVAVGACFINRT-UHFFFAOYSA-N 2 2 331.423 3.177 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644803 456540393 /nfs/dbraw/zinc/54/03/93/456540393.db2.gz RRADYWMCZHZYRT-LPHOPBHVSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276644803 456540399 /nfs/dbraw/zinc/54/03/99/456540399.db2.gz RRADYWMCZHZYRT-LPHOPBHVSA-N 2 2 341.503 3.033 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)s1 ZINC000348223549 456545692 /nfs/dbraw/zinc/54/56/92/456545692.db2.gz UBMHLDTVRXTSSE-HNNXBMFYSA-N 2 2 331.485 3.106 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](COc3ccccc3)C2)s1 ZINC000348223549 456545697 /nfs/dbraw/zinc/54/56/97/456545697.db2.gz UBMHLDTVRXTSSE-HNNXBMFYSA-N 2 2 331.485 3.106 20 0 EGADLP O=C(C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067194 456590997 /nfs/dbraw/zinc/59/09/97/456590997.db2.gz LMCKWSPIQZABMM-UXHICEINSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067194 456591002 /nfs/dbraw/zinc/59/10/02/456591002.db2.gz LMCKWSPIQZABMM-UXHICEINSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067194 456591003 /nfs/dbraw/zinc/59/10/03/456591003.db2.gz LMCKWSPIQZABMM-UXHICEINSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000312067194 456591007 /nfs/dbraw/zinc/59/10/07/456591007.db2.gz LMCKWSPIQZABMM-UXHICEINSA-N 2 2 349.478 3.079 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CCC2)n1C ZINC000348309382 456613517 /nfs/dbraw/zinc/61/35/17/456613517.db2.gz GFDMHKUGTYHGRP-SJORKVTESA-N 2 2 333.524 3.073 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000276952272 456630538 /nfs/dbraw/zinc/63/05/38/456630538.db2.gz BVSODIBOXAEOLL-GOSISDBHSA-N 2 2 348.450 3.333 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](CNc3cc[nH+]c4ccncc34)C2)cc1 ZINC000276952272 456630543 /nfs/dbraw/zinc/63/05/43/456630543.db2.gz BVSODIBOXAEOLL-GOSISDBHSA-N 2 2 348.450 3.333 20 0 EGADLP C[C@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276992118 456643719 /nfs/dbraw/zinc/64/37/19/456643719.db2.gz XPAUGTGZTORJGI-HZSPNIEDSA-N 2 2 338.415 3.251 20 0 EGADLP C[C@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276992118 456643725 /nfs/dbraw/zinc/64/37/25/456643725.db2.gz XPAUGTGZTORJGI-HZSPNIEDSA-N 2 2 338.415 3.251 20 0 EGADLP Cc1c(F)cccc1-c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)o1 ZINC000353361725 456647741 /nfs/dbraw/zinc/64/77/41/456647741.db2.gz WJJMKSZPCVLICJ-UHFFFAOYSA-N 2 2 346.446 3.283 20 0 EGADLP Cc1c(F)cccc1-c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)o1 ZINC000353361725 456647749 /nfs/dbraw/zinc/64/77/49/456647749.db2.gz WJJMKSZPCVLICJ-UHFFFAOYSA-N 2 2 346.446 3.283 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660588 /nfs/dbraw/zinc/66/05/88/456660588.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660592 /nfs/dbraw/zinc/66/05/92/456660592.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660595 /nfs/dbraw/zinc/66/05/95/456660595.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000343497159 456660597 /nfs/dbraw/zinc/66/05/97/456660597.db2.gz JYIZNRVHWYGSLO-BBTUJRGHSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282905791 456661524 /nfs/dbraw/zinc/66/15/24/456661524.db2.gz ZHEWWWKXGPNXCY-GOSISDBHSA-N 2 2 341.503 3.048 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000282905791 456661532 /nfs/dbraw/zinc/66/15/32/456661532.db2.gz ZHEWWWKXGPNXCY-GOSISDBHSA-N 2 2 341.503 3.048 20 0 EGADLP O=C(c1ccccc1Oc1cc[nH+]cc1)N1CC[NH+](CC2CC2)CC1 ZINC000338160691 456673181 /nfs/dbraw/zinc/67/31/81/456673181.db2.gz VXKKAOYJXOPHLU-UHFFFAOYSA-N 2 2 337.423 3.042 20 0 EGADLP C[C@@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)C[NH+]1CCCC1 ZINC000338161581 456674855 /nfs/dbraw/zinc/67/48/55/456674855.db2.gz SDMBZAKDMZPTJJ-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP COC(=O)[C@](C)(C[NH2+]CCCc1c[nH+]ccc1C)c1ccccc1 ZINC000348418069 456677540 /nfs/dbraw/zinc/67/75/40/456677540.db2.gz ZADOZRKYUAXHIT-HXUWFJFHSA-N 2 2 326.440 3.043 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000277316815 456775207 /nfs/dbraw/zinc/77/52/07/456775207.db2.gz BYAPSCUEWOUURN-QGZVFWFLSA-N 2 2 332.879 3.442 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000277316815 456775210 /nfs/dbraw/zinc/77/52/10/456775210.db2.gz BYAPSCUEWOUURN-QGZVFWFLSA-N 2 2 332.879 3.442 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000277331799 456781587 /nfs/dbraw/zinc/78/15/87/456781587.db2.gz VPZDNSLHHSNLRT-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000277331799 456781591 /nfs/dbraw/zinc/78/15/91/456781591.db2.gz VPZDNSLHHSNLRT-LPHOPBHVSA-N 2 2 349.494 3.151 20 0 EGADLP c1nn(-c2ccccc2)c2nc[nH+]c(NCCC[NH+]3CCCCC3)c12 ZINC000301092697 456795057 /nfs/dbraw/zinc/79/50/57/456795057.db2.gz NYUDUBGWWCYRMB-UHFFFAOYSA-N 2 2 336.443 3.103 20 0 EGADLP Cc1c[nH+]c(CNc2ccc(C[NH+](C)C)c(Br)c2)n1C ZINC000341366983 456858238 /nfs/dbraw/zinc/85/82/38/456858238.db2.gz DFUMARDJDUDJGB-UHFFFAOYSA-N 2 2 337.265 3.165 20 0 EGADLP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745739 456885346 /nfs/dbraw/zinc/88/53/46/456885346.db2.gz JCHRSKRAIBHRGY-QFBILLFUSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745739 456885351 /nfs/dbraw/zinc/88/53/51/456885351.db2.gz JCHRSKRAIBHRGY-QFBILLFUSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745739 456885353 /nfs/dbraw/zinc/88/53/53/456885353.db2.gz JCHRSKRAIBHRGY-QFBILLFUSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745739 456885358 /nfs/dbraw/zinc/88/53/58/456885358.db2.gz JCHRSKRAIBHRGY-QFBILLFUSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745739 456885363 /nfs/dbraw/zinc/88/53/63/456885363.db2.gz JCHRSKRAIBHRGY-QFBILLFUSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745739 456885368 /nfs/dbraw/zinc/88/53/68/456885368.db2.gz JCHRSKRAIBHRGY-QFBILLFUSA-N 2 2 326.488 3.485 20 0 EGADLP c1cnc2sc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671373 456892863 /nfs/dbraw/zinc/89/28/63/456892863.db2.gz FGPCRYIUHNHLSN-BBRMVZONSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nc2c1 ZINC000341671373 456892869 /nfs/dbraw/zinc/89/28/69/456892869.db2.gz FGPCRYIUHNHLSN-BBRMVZONSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nc2c1 ZINC000341671373 456892873 /nfs/dbraw/zinc/89/28/73/456892873.db2.gz FGPCRYIUHNHLSN-BBRMVZONSA-N 2 2 328.485 3.140 20 0 EGADLP c1cnc2sc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2c1 ZINC000341671373 456892877 /nfs/dbraw/zinc/89/28/77/456892877.db2.gz FGPCRYIUHNHLSN-BBRMVZONSA-N 2 2 328.485 3.140 20 0 EGADLP C[NH+](C)CCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000341784569 456943194 /nfs/dbraw/zinc/94/31/94/456943194.db2.gz QKVDQMMOEBCYDE-UHFFFAOYSA-N 2 2 334.423 3.229 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179836 456955597 /nfs/dbraw/zinc/95/55/97/456955597.db2.gz AWIOTGROGKEYBX-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000345179836 456955598 /nfs/dbraw/zinc/95/55/98/456955598.db2.gz AWIOTGROGKEYBX-QRWLVFNGSA-N 2 2 346.421 3.252 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353948402 456975936 /nfs/dbraw/zinc/97/59/36/456975936.db2.gz UMRALOBIEUNAFJ-STQMWFEESA-N 2 2 344.377 3.310 20 0 EGADLP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353948402 456975937 /nfs/dbraw/zinc/97/59/37/456975937.db2.gz UMRALOBIEUNAFJ-STQMWFEESA-N 2 2 344.377 3.310 20 0 EGADLP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353957260 456979081 /nfs/dbraw/zinc/97/90/81/456979081.db2.gz ORGSIEAHSJFJQL-NWJVMNJYSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353957260 456979083 /nfs/dbraw/zinc/97/90/83/456979083.db2.gz ORGSIEAHSJFJQL-NWJVMNJYSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353999265 456997131 /nfs/dbraw/zinc/99/71/31/456997131.db2.gz ZSPXQFLXFAXURG-JKHFOPOESA-N 2 2 337.552 3.120 20 0 EGADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353999265 456997140 /nfs/dbraw/zinc/99/71/40/456997140.db2.gz ZSPXQFLXFAXURG-JKHFOPOESA-N 2 2 337.552 3.120 20 0 EGADLP CC1CC[NH+]([C@@H](CNc2[nH+]cnc3[nH]ccc32)c2cccs2)CC1 ZINC000339240429 457011313 /nfs/dbraw/zinc/01/13/13/457011313.db2.gz AVJFXVRXTRZEQU-HNNXBMFYSA-N 2 2 341.484 3.326 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180317 457022996 /nfs/dbraw/zinc/02/29/96/457022996.db2.gz PWQTWSFISDEZLD-KXBFYZLASA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180317 457023001 /nfs/dbraw/zinc/02/30/01/457023001.db2.gz PWQTWSFISDEZLD-KXBFYZLASA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180317 457023005 /nfs/dbraw/zinc/02/30/05/457023005.db2.gz PWQTWSFISDEZLD-KXBFYZLASA-N 2 2 349.544 3.037 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)sc2C1 ZINC000346180317 457023011 /nfs/dbraw/zinc/02/30/11/457023011.db2.gz PWQTWSFISDEZLD-KXBFYZLASA-N 2 2 349.544 3.037 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038874 457024909 /nfs/dbraw/zinc/02/49/09/457024909.db2.gz NZLHQQFKPUMRSJ-ROUUACIJSA-N 2 2 337.552 3.124 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354038874 457024914 /nfs/dbraw/zinc/02/49/14/457024914.db2.gz NZLHQQFKPUMRSJ-ROUUACIJSA-N 2 2 337.552 3.124 20 0 EGADLP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663362 457032091 /nfs/dbraw/zinc/03/20/91/457032091.db2.gz LFRJCKYWAYNCMF-PKOBYXMFSA-N 2 2 339.487 3.433 20 0 EGADLP Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663362 457032093 /nfs/dbraw/zinc/03/20/93/457032093.db2.gz LFRJCKYWAYNCMF-PKOBYXMFSA-N 2 2 339.487 3.433 20 0 EGADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)ccc1F ZINC000358930544 457036738 /nfs/dbraw/zinc/03/67/38/457036738.db2.gz IFSGPHWDFLDTFL-GOSISDBHSA-N 2 2 326.431 3.098 20 0 EGADLP COCCOc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000349805693 457059080 /nfs/dbraw/zinc/05/90/80/457059080.db2.gz VVHIQTYSOUKJOH-UHFFFAOYSA-N 2 2 332.488 3.162 20 0 EGADLP COc1cc2c(c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)c1)O[C@H](C)C2 ZINC000349815438 457063768 /nfs/dbraw/zinc/06/37/68/457063768.db2.gz BEOMHNBPHRTBHE-OAHLLOKOSA-N 2 2 332.488 3.323 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)c1)O[C@H](C)C2 ZINC000349815438 457063773 /nfs/dbraw/zinc/06/37/73/457063773.db2.gz BEOMHNBPHRTBHE-OAHLLOKOSA-N 2 2 332.488 3.323 20 0 EGADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000339387806 457084370 /nfs/dbraw/zinc/08/43/70/457084370.db2.gz QEUWBEJEZBVTJE-JKSUJKDBSA-N 2 2 346.500 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000346657560 457096868 /nfs/dbraw/zinc/09/68/68/457096868.db2.gz OEEJYVGXYDUHBK-CHWSQXEVSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000346657560 457096877 /nfs/dbraw/zinc/09/68/77/457096877.db2.gz OEEJYVGXYDUHBK-CHWSQXEVSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000346658765 457097434 /nfs/dbraw/zinc/09/74/34/457097434.db2.gz POFSWBCULACRRJ-GXTWGEPZSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000346658765 457097441 /nfs/dbraw/zinc/09/74/41/457097441.db2.gz POFSWBCULACRRJ-GXTWGEPZSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@@H](CCCC(F)(F)F)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000359665474 457106354 /nfs/dbraw/zinc/10/63/54/457106354.db2.gz SYRZNQGPPZSGQE-AWEZNQCLSA-N 3 2 335.458 3.256 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436042 457118217 /nfs/dbraw/zinc/11/82/17/457118217.db2.gz BTPRYRSUPIRGOA-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436042 457118220 /nfs/dbraw/zinc/11/82/20/457118220.db2.gz BTPRYRSUPIRGOA-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436042 457118222 /nfs/dbraw/zinc/11/82/22/457118222.db2.gz BTPRYRSUPIRGOA-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000339436042 457118225 /nfs/dbraw/zinc/11/82/25/457118225.db2.gz BTPRYRSUPIRGOA-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP CC1(C)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000342130078 457125483 /nfs/dbraw/zinc/12/54/83/457125483.db2.gz NASPWRKXJMXYLH-IBGZPJMESA-N 2 2 348.556 3.495 20 0 EGADLP CC1(C)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000342130078 457125486 /nfs/dbraw/zinc/12/54/86/457125486.db2.gz NASPWRKXJMXYLH-IBGZPJMESA-N 2 2 348.556 3.495 20 0 EGADLP CC1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000342130078 457125492 /nfs/dbraw/zinc/12/54/92/457125492.db2.gz NASPWRKXJMXYLH-IBGZPJMESA-N 2 2 348.556 3.495 20 0 EGADLP CC1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000342130078 457125496 /nfs/dbraw/zinc/12/54/96/457125496.db2.gz NASPWRKXJMXYLH-IBGZPJMESA-N 2 2 348.556 3.495 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@H](C[NH3+])C1CC1 ZINC000360006732 457198359 /nfs/dbraw/zinc/19/83/59/457198359.db2.gz MSKQSVLWPUROJB-GOSISDBHSA-N 2 2 345.874 3.483 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@H](C[NH3+])C1CC1 ZINC000360006732 457198364 /nfs/dbraw/zinc/19/83/64/457198364.db2.gz MSKQSVLWPUROJB-GOSISDBHSA-N 2 2 345.874 3.483 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041659 457200304 /nfs/dbraw/zinc/20/03/04/457200304.db2.gz LHNOCKXQKQXBJE-NWDGAFQWSA-N 2 2 340.393 3.151 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041659 457200307 /nfs/dbraw/zinc/20/03/07/457200307.db2.gz LHNOCKXQKQXBJE-NWDGAFQWSA-N 2 2 340.393 3.151 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041662 457200343 /nfs/dbraw/zinc/20/03/43/457200343.db2.gz LHNOCKXQKQXBJE-RYUDHWBXSA-N 2 2 340.393 3.151 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000347041662 457200344 /nfs/dbraw/zinc/20/03/44/457200344.db2.gz LHNOCKXQKQXBJE-RYUDHWBXSA-N 2 2 340.393 3.151 20 0 EGADLP Cc1noc(C)c1C[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356890252 457200842 /nfs/dbraw/zinc/20/08/42/457200842.db2.gz GAPYYVFTTZZACY-LLVKDONJSA-N 2 2 333.398 3.229 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000347097412 457227170 /nfs/dbraw/zinc/22/71/70/457227170.db2.gz IKBCVUZCIIELEL-UKRRQHHQSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000347097412 457227177 /nfs/dbraw/zinc/22/71/77/457227177.db2.gz IKBCVUZCIIELEL-UKRRQHHQSA-N 2 2 331.485 3.378 20 0 EGADLP Cc1[nH+]ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1Cl ZINC000357011340 457274184 /nfs/dbraw/zinc/27/41/84/457274184.db2.gz NSJDAEXTKMGVIC-MSOLQXFVSA-N 2 2 343.858 3.133 20 0 EGADLP Cc1[nH+]ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1Cl ZINC000357011340 457274190 /nfs/dbraw/zinc/27/41/90/457274190.db2.gz NSJDAEXTKMGVIC-MSOLQXFVSA-N 2 2 343.858 3.133 20 0 EGADLP CC(C)(C[NH2+]Cc1csc(-c2ccccn2)n1)C[NH+]1CCCC1 ZINC000360177151 457290121 /nfs/dbraw/zinc/29/01/21/457290121.db2.gz IDIJAFNRVUNKKL-UHFFFAOYSA-N 2 2 330.501 3.417 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000347214553 457292138 /nfs/dbraw/zinc/29/21/38/457292138.db2.gz KSZDULOGCZFOBH-UHFFFAOYSA-N 2 2 344.378 3.285 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000351472184 457297972 /nfs/dbraw/zinc/29/79/72/457297972.db2.gz ACWDGJMUBQLRJS-GVDBMIGSSA-N 2 2 326.444 3.029 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000351472184 457297975 /nfs/dbraw/zinc/29/79/75/457297975.db2.gz ACWDGJMUBQLRJS-GVDBMIGSSA-N 2 2 326.444 3.029 20 0 EGADLP CC(C)c1cnc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000342433769 457302100 /nfs/dbraw/zinc/30/21/00/457302100.db2.gz UXJXPFTYXOUTNO-UHFFFAOYSA-N 2 2 348.516 3.282 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000363391901 457309499 /nfs/dbraw/zinc/30/94/99/457309499.db2.gz BCVQJNSJZIPQPH-WMZOPIPTSA-N 2 2 330.403 3.039 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)o2)cc1 ZINC000363391901 457309503 /nfs/dbraw/zinc/30/95/03/457309503.db2.gz BCVQJNSJZIPQPH-WMZOPIPTSA-N 2 2 330.403 3.039 20 0 EGADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1(C)CC1 ZINC000360429782 457310830 /nfs/dbraw/zinc/31/08/30/457310830.db2.gz UJGOTSKVLKDSKY-LJQANCHMSA-N 2 2 329.532 3.363 20 0 EGADLP COC[C@@H](CC(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000347254564 457313728 /nfs/dbraw/zinc/31/37/28/457313728.db2.gz IYXFFLDGBFGPMI-MRXNPFEDSA-N 2 2 334.508 3.085 20 0 EGADLP COC[C@H](CC(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000347254562 457314447 /nfs/dbraw/zinc/31/44/47/457314447.db2.gz IYXFFLDGBFGPMI-INIZCTEOSA-N 2 2 334.508 3.085 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)N(CC)CCC[NH+](CC)CC ZINC000357097120 457320789 /nfs/dbraw/zinc/32/07/89/457320789.db2.gz DNCVETKBRPJBOB-UHFFFAOYSA-N 2 2 344.503 3.179 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000340022225 457321282 /nfs/dbraw/zinc/32/12/82/457321282.db2.gz HWVBDCYLONVSTO-INIZCTEOSA-N 2 2 337.471 3.009 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000340022225 457321286 /nfs/dbraw/zinc/32/12/86/457321286.db2.gz HWVBDCYLONVSTO-INIZCTEOSA-N 2 2 337.471 3.009 20 0 EGADLP Cc1cnc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352439119 457369051 /nfs/dbraw/zinc/36/90/51/457369051.db2.gz JUSRLTWYPWBIFR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352439119 457369057 /nfs/dbraw/zinc/36/90/57/457369057.db2.gz JUSRLTWYPWBIFR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352439119 457369064 /nfs/dbraw/zinc/36/90/64/457369064.db2.gz JUSRLTWYPWBIFR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000352439119 457369068 /nfs/dbraw/zinc/36/90/68/457369068.db2.gz JUSRLTWYPWBIFR-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP C[N@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378276431 457386412 /nfs/dbraw/zinc/38/64/12/457386412.db2.gz ZBAXHFBHMMRJSS-QFIPXVFZSA-N 2 2 335.495 3.427 20 0 EGADLP C[N@@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378276431 457386421 /nfs/dbraw/zinc/38/64/21/457386421.db2.gz ZBAXHFBHMMRJSS-QFIPXVFZSA-N 2 2 335.495 3.427 20 0 EGADLP CN1Cc2ccccc2[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378276431 457386429 /nfs/dbraw/zinc/38/64/29/457386429.db2.gz ZBAXHFBHMMRJSS-QFIPXVFZSA-N 2 2 335.495 3.427 20 0 EGADLP CC[C@]1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)OCCc2ccccc21 ZINC000352465616 457388919 /nfs/dbraw/zinc/38/89/19/457388919.db2.gz LZIQSBUNMPOWBY-LJQANCHMSA-N 2 2 345.512 3.173 20 0 EGADLP COC1CC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448705 457434722 /nfs/dbraw/zinc/43/47/22/457434722.db2.gz YPKMCIZQCZGDOZ-VWLISTAJSA-N 2 2 326.843 3.239 20 0 EGADLP COC1CC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000347448705 457434727 /nfs/dbraw/zinc/43/47/27/457434727.db2.gz YPKMCIZQCZGDOZ-VWLISTAJSA-N 2 2 326.843 3.239 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](c4ccco4)C3)c2cc1C ZINC000374003377 457435963 /nfs/dbraw/zinc/43/59/63/457435963.db2.gz PNRPRCBQJDQAAT-IRXDYDNUSA-N 2 2 339.439 3.097 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](c4ccco4)C3)c2cc1C ZINC000374003377 457435970 /nfs/dbraw/zinc/43/59/70/457435970.db2.gz PNRPRCBQJDQAAT-IRXDYDNUSA-N 2 2 339.439 3.097 20 0 EGADLP COCc1cc(NCCC[NH+]2CCCCC2)c2cc(F)ccc2[nH+]1 ZINC000357310068 457437199 /nfs/dbraw/zinc/43/71/99/457437199.db2.gz FQNKPBXPVKEZQG-UHFFFAOYSA-N 2 2 331.435 3.230 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000352524279 457438023 /nfs/dbraw/zinc/43/80/23/457438023.db2.gz BCKCQJZWCYLKJT-GOSISDBHSA-N 2 2 337.467 3.495 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000352524279 457438028 /nfs/dbraw/zinc/43/80/28/457438028.db2.gz BCKCQJZWCYLKJT-GOSISDBHSA-N 2 2 337.467 3.495 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)c[nH+]1 ZINC000356100785 457446728 /nfs/dbraw/zinc/44/67/28/457446728.db2.gz ZEZIDLHTXPLREL-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c[nH+]1 ZINC000356100785 457446736 /nfs/dbraw/zinc/44/67/36/457446736.db2.gz ZEZIDLHTXPLREL-UHFFFAOYSA-N 2 2 329.410 3.281 20 0 EGADLP CCc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000360945103 457453134 /nfs/dbraw/zinc/45/31/34/457453134.db2.gz CYBDYVHJWFEOIW-KRWDZBQOSA-N 3 2 342.487 3.100 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cn(C)nc1C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000360963788 457470642 /nfs/dbraw/zinc/47/06/42/457470642.db2.gz GCDWDVUSWCUEOL-KRWDZBQOSA-N 2 2 348.441 3.284 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2C)CC1 ZINC000360965428 457472325 /nfs/dbraw/zinc/47/23/25/457472325.db2.gz GLHOYWTXUFRFSI-HRAATJIYSA-N 2 2 344.499 3.317 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000342726885 457481639 /nfs/dbraw/zinc/48/16/39/457481639.db2.gz BMDTYGHZBQGDFK-AABGKKOBSA-N 2 2 345.531 3.363 20 0 EGADLP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000342726885 457481643 /nfs/dbraw/zinc/48/16/43/457481643.db2.gz BMDTYGHZBQGDFK-AABGKKOBSA-N 2 2 345.531 3.363 20 0 EGADLP CSC1(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCC1 ZINC000356183381 457513863 /nfs/dbraw/zinc/51/38/63/457513863.db2.gz PBBLMQGLKKJVMI-UHFFFAOYSA-N 2 2 326.550 3.144 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401047012 457521993 /nfs/dbraw/zinc/52/19/93/457521993.db2.gz RKVFDRXKUNZZRX-NCYKPQTJSA-N 3 2 329.532 3.121 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401047012 457521999 /nfs/dbraw/zinc/52/19/99/457521999.db2.gz RKVFDRXKUNZZRX-NCYKPQTJSA-N 3 2 329.532 3.121 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000357435709 457523360 /nfs/dbraw/zinc/52/33/60/457523360.db2.gz FGOQQMFDULVIRP-KRWDZBQOSA-N 2 2 334.423 3.185 20 0 EGADLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000357435709 457523364 /nfs/dbraw/zinc/52/33/64/457523364.db2.gz FGOQQMFDULVIRP-KRWDZBQOSA-N 2 2 334.423 3.185 20 0 EGADLP CCCCCC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364204997 457526251 /nfs/dbraw/zinc/52/62/51/457526251.db2.gz DJKXSDKNGFLGNL-ROUUACIJSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364204997 457526258 /nfs/dbraw/zinc/52/62/58/457526258.db2.gz DJKXSDKNGFLGNL-ROUUACIJSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)O[C@@H]1C[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)C1(C)C ZINC000361034508 457530025 /nfs/dbraw/zinc/53/00/25/457530025.db2.gz XSYXVIBUFGGSPA-FGTMMUONSA-N 2 2 346.519 3.226 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCOc2ccc(F)cc2)s1 ZINC000347592113 457533898 /nfs/dbraw/zinc/53/38/98/457533898.db2.gz QFXYCJNCDQELML-UHFFFAOYSA-N 2 2 337.464 3.245 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCOc2ccc(F)cc2)s1 ZINC000347592113 457533903 /nfs/dbraw/zinc/53/39/03/457533903.db2.gz QFXYCJNCDQELML-UHFFFAOYSA-N 2 2 337.464 3.245 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000352695558 457538465 /nfs/dbraw/zinc/53/84/65/457538465.db2.gz WZAFBEIQJUFESO-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000352695558 457538471 /nfs/dbraw/zinc/53/84/71/457538471.db2.gz WZAFBEIQJUFESO-HDICACEKSA-N 2 2 333.495 3.125 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000404262244 457539721 /nfs/dbraw/zinc/53/97/21/457539721.db2.gz DXZMHWVLNXHURN-DOMZBBRYSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H]1CC[NH3+] ZINC000404262244 457539729 /nfs/dbraw/zinc/53/97/29/457539729.db2.gz DXZMHWVLNXHURN-DOMZBBRYSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000404434194 457543908 /nfs/dbraw/zinc/54/39/08/457543908.db2.gz QHJHOFINORSSHB-WFASDCNBSA-N 2 2 334.851 3.339 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CC[NH3+] ZINC000404434194 457543920 /nfs/dbraw/zinc/54/39/20/457543920.db2.gz QHJHOFINORSSHB-WFASDCNBSA-N 2 2 334.851 3.339 20 0 EGADLP FC(F)c1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000425423614 457547656 /nfs/dbraw/zinc/54/76/56/457547656.db2.gz QVLYOUKCVIIKJR-UHFFFAOYSA-N 2 2 328.407 3.095 20 0 EGADLP COc1cccc(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000406156846 457554513 /nfs/dbraw/zinc/55/45/13/457554513.db2.gz YGMPPEGNUWGTKE-NRFANRHFSA-N 2 2 340.467 3.458 20 0 EGADLP COc1cccc(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000406156846 457554523 /nfs/dbraw/zinc/55/45/23/457554523.db2.gz YGMPPEGNUWGTKE-NRFANRHFSA-N 2 2 340.467 3.458 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000406012218 457555035 /nfs/dbraw/zinc/55/50/35/457555035.db2.gz TZLGXZIQHROMKW-HXUWFJFHSA-N 2 2 326.488 3.392 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000406012218 457555042 /nfs/dbraw/zinc/55/50/42/457555042.db2.gz TZLGXZIQHROMKW-HXUWFJFHSA-N 2 2 326.488 3.392 20 0 EGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309070 457565716 /nfs/dbraw/zinc/56/57/16/457565716.db2.gz STGOOSCKVOXRHI-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309070 457565720 /nfs/dbraw/zinc/56/57/20/457565720.db2.gz STGOOSCKVOXRHI-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309070 457565724 /nfs/dbraw/zinc/56/57/24/457565724.db2.gz STGOOSCKVOXRHI-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356309070 457565729 /nfs/dbraw/zinc/56/57/29/457565729.db2.gz STGOOSCKVOXRHI-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C(C)C ZINC000361074919 457566511 /nfs/dbraw/zinc/56/65/11/457566511.db2.gz WPIPVLGMFOAITL-UHFFFAOYSA-N 2 2 348.535 3.268 20 0 EGADLP Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000361087674 457575606 /nfs/dbraw/zinc/57/56/06/457575606.db2.gz UHDHDCZJMVUNNN-SFHVURJKSA-N 2 2 329.444 3.254 20 0 EGADLP CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352748751 457579254 /nfs/dbraw/zinc/57/92/54/457579254.db2.gz JQXFNCGFRDFVCR-MRXNPFEDSA-N 2 2 331.485 3.381 20 0 EGADLP COc1cccc2c(NCC3(SC)CC[NH+](C)CC3)cc[nH+]c12 ZINC000357548742 457588976 /nfs/dbraw/zinc/58/89/76/457588976.db2.gz ONSYFQWYZANIBQ-UHFFFAOYSA-N 2 2 331.485 3.483 20 0 EGADLP CCn1ccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374538638 457653012 /nfs/dbraw/zinc/65/30/12/457653012.db2.gz RZZFULYUFRNLTF-SFHVURJKSA-N 2 2 326.488 3.293 20 0 EGADLP CCn1ccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374538638 457653017 /nfs/dbraw/zinc/65/30/17/457653017.db2.gz RZZFULYUFRNLTF-SFHVURJKSA-N 2 2 326.488 3.293 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000364759777 457687626 /nfs/dbraw/zinc/68/76/26/457687626.db2.gz NSMDSZIHOYBQKJ-QGZVFWFLSA-N 2 2 327.476 3.039 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000364759777 457687631 /nfs/dbraw/zinc/68/76/31/457687631.db2.gz NSMDSZIHOYBQKJ-QGZVFWFLSA-N 2 2 327.476 3.039 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3Cc4ccccc4C[C@@H]3C)c2cc1C ZINC000357790698 457691035 /nfs/dbraw/zinc/69/10/35/457691035.db2.gz FHDSXOJMBKTUEG-PXNSSMCTSA-N 2 2 349.478 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3Cc4ccccc4C[C@@H]3C)c2cc1C ZINC000357790698 457691039 /nfs/dbraw/zinc/69/10/39/457691039.db2.gz FHDSXOJMBKTUEG-PXNSSMCTSA-N 2 2 349.478 3.461 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000361318190 457691400 /nfs/dbraw/zinc/69/14/00/457691400.db2.gz IMXGEWDPGWNDCE-QGZVFWFLSA-N 2 2 330.476 3.005 20 0 EGADLP FC(F)(F)OCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361458898 457738789 /nfs/dbraw/zinc/73/87/89/457738789.db2.gz IXZHJKJMTFYIKK-UHFFFAOYSA-N 2 2 336.785 3.430 20 0 EGADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000375265220 457855716 /nfs/dbraw/zinc/85/57/16/457855716.db2.gz GEBMXFBCHMAACO-CQSZACIVSA-N 2 2 329.444 3.396 20 0 EGADLP CC(C)Cn1cc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000433760711 457879612 /nfs/dbraw/zinc/87/96/12/457879612.db2.gz VDHWBTTVFDQSDT-KRWDZBQOSA-N 2 2 327.476 3.061 20 0 EGADLP CC(C)Cn1cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cn1 ZINC000433760711 457879616 /nfs/dbraw/zinc/87/96/16/457879616.db2.gz VDHWBTTVFDQSDT-KRWDZBQOSA-N 2 2 327.476 3.061 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000361836536 457896931 /nfs/dbraw/zinc/89/69/31/457896931.db2.gz GGLKSIZREJXTRE-MJGOQNOKSA-N 3 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000361836536 457896936 /nfs/dbraw/zinc/89/69/36/457896936.db2.gz GGLKSIZREJXTRE-MJGOQNOKSA-N 3 2 326.488 3.485 20 0 EGADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000358322532 457932731 /nfs/dbraw/zinc/93/27/31/457932731.db2.gz CQCGWYQUDRWYIQ-UHFFFAOYSA-N 2 2 347.418 3.093 20 0 EGADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000358322532 457932737 /nfs/dbraw/zinc/93/27/37/457932737.db2.gz CQCGWYQUDRWYIQ-UHFFFAOYSA-N 2 2 347.418 3.093 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000358342742 457946982 /nfs/dbraw/zinc/94/69/82/457946982.db2.gz QUDNZLOUWJMYNW-YRNRMSPPSA-N 2 2 326.488 3.042 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000358342742 457946988 /nfs/dbraw/zinc/94/69/88/457946988.db2.gz QUDNZLOUWJMYNW-YRNRMSPPSA-N 2 2 326.488 3.042 20 0 EGADLP CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1[nH]cc[nH+]1 ZINC000427195571 457956615 /nfs/dbraw/zinc/95/66/15/457956615.db2.gz ALHJKKTZRFYZNT-QGZVFWFLSA-N 2 2 326.444 3.277 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458299126 458004828 /nfs/dbraw/zinc/00/48/28/458004828.db2.gz ZXPPJJFDDRQPGF-HXUWFJFHSA-N 2 2 337.467 3.270 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1C[NH+](C)C ZINC000458299126 458004837 /nfs/dbraw/zinc/00/48/37/458004837.db2.gz ZXPPJJFDDRQPGF-HXUWFJFHSA-N 2 2 337.467 3.270 20 0 EGADLP CC(C)OC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000371688943 458035373 /nfs/dbraw/zinc/03/53/73/458035373.db2.gz LJMOUYAHXJYOHB-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP CC(C)OC(=O)c1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000371688943 458035382 /nfs/dbraw/zinc/03/53/82/458035382.db2.gz LJMOUYAHXJYOHB-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP COC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C(F)(F)F)c1 ZINC000427855447 458043711 /nfs/dbraw/zinc/04/37/11/458043711.db2.gz COVZWEVADRGVET-HUUCEWRRSA-N 2 2 339.361 3.194 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037537 458069829 /nfs/dbraw/zinc/06/98/29/458069829.db2.gz ZCFHHCHTHFVXGM-XLIONFOSSA-N 2 2 347.547 3.164 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000428037537 458069835 /nfs/dbraw/zinc/06/98/35/458069835.db2.gz ZCFHHCHTHFVXGM-XLIONFOSSA-N 2 2 347.547 3.164 20 0 EGADLP Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000371866404 458100864 /nfs/dbraw/zinc/10/08/64/458100864.db2.gz JMPZGVLXPMZASI-LJQANCHMSA-N 2 2 334.423 3.149 20 0 EGADLP Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000371866404 458100868 /nfs/dbraw/zinc/10/08/68/458100868.db2.gz JMPZGVLXPMZASI-LJQANCHMSA-N 2 2 334.423 3.149 20 0 EGADLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000435239916 458108305 /nfs/dbraw/zinc/10/83/05/458108305.db2.gz MBQCDRKOJATZOS-GFCCVEGCSA-N 2 2 342.270 3.148 20 0 EGADLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)Nc1c(Cl)cccc1Cl ZINC000435239916 458108310 /nfs/dbraw/zinc/10/83/10/458108310.db2.gz MBQCDRKOJATZOS-GFCCVEGCSA-N 2 2 342.270 3.148 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369658 458121462 /nfs/dbraw/zinc/12/14/62/458121462.db2.gz GBEWAQAEIJCVJH-RYUDHWBXSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000435369658 458121468 /nfs/dbraw/zinc/12/14/68/458121468.db2.gz GBEWAQAEIJCVJH-RYUDHWBXSA-N 2 2 349.276 3.008 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383770 458130276 /nfs/dbraw/zinc/13/02/76/458130276.db2.gz JTTIKIHFIUEEGF-OCCSQVGLSA-N 2 2 346.393 3.338 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000435383770 458130283 /nfs/dbraw/zinc/13/02/83/458130283.db2.gz JTTIKIHFIUEEGF-OCCSQVGLSA-N 2 2 346.393 3.338 20 0 EGADLP Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1F ZINC000428434838 458142516 /nfs/dbraw/zinc/14/25/16/458142516.db2.gz XIUBIFCJUZWTSN-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1F ZINC000428434838 458142525 /nfs/dbraw/zinc/14/25/25/458142525.db2.gz XIUBIFCJUZWTSN-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000428434838 458142531 /nfs/dbraw/zinc/14/25/31/458142531.db2.gz XIUBIFCJUZWTSN-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000428434838 458142536 /nfs/dbraw/zinc/14/25/36/458142536.db2.gz XIUBIFCJUZWTSN-OAQYLSRUSA-N 2 2 342.458 3.203 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435442135 458148584 /nfs/dbraw/zinc/14/85/84/458148584.db2.gz GXANKCMMDQPYEH-CQSZACIVSA-N 2 2 337.439 3.341 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435442135 458148589 /nfs/dbraw/zinc/14/85/89/458148589.db2.gz GXANKCMMDQPYEH-CQSZACIVSA-N 2 2 337.439 3.341 20 0 EGADLP COc1ccsc1C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435448283 458149602 /nfs/dbraw/zinc/14/96/02/458149602.db2.gz UNSAKPNJUSZHGN-ZDUSSCGKSA-N 2 2 337.514 3.133 20 0 EGADLP COc1ccsc1C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435448283 458149608 /nfs/dbraw/zinc/14/96/08/458149608.db2.gz UNSAKPNJUSZHGN-ZDUSSCGKSA-N 2 2 337.514 3.133 20 0 EGADLP Cn1cc[nH+]c1CN(C(=O)CCCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435570913 458163038 /nfs/dbraw/zinc/16/30/38/458163038.db2.gz ZBHCNWHXYNHNOD-INIZCTEOSA-N 2 2 346.519 3.107 20 0 EGADLP C[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335779 458177430 /nfs/dbraw/zinc/17/74/30/458177430.db2.gz SUUKSIUKZVQOGI-FXAWDEMLSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335779 458177435 /nfs/dbraw/zinc/17/74/35/458177435.db2.gz SUUKSIUKZVQOGI-FXAWDEMLSA-N 2 2 349.563 3.220 20 0 EGADLP O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446375809 458183039 /nfs/dbraw/zinc/18/30/39/458183039.db2.gz DHUZKACLGLRCHH-BLLLJJGKSA-N 2 2 330.407 3.249 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753994 458194096 /nfs/dbraw/zinc/19/40/96/458194096.db2.gz MNRBPJPRFBDSMI-ZWKOTPCHSA-N 2 2 327.476 3.138 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000358753994 458194099 /nfs/dbraw/zinc/19/40/99/458194099.db2.gz MNRBPJPRFBDSMI-ZWKOTPCHSA-N 2 2 327.476 3.138 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000412406413 458194967 /nfs/dbraw/zinc/19/49/67/458194967.db2.gz YEXSUSURHNXPHI-XJKSGUPXSA-N 2 2 346.475 3.003 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000446890854 458242772 /nfs/dbraw/zinc/24/27/72/458242772.db2.gz QDHBJGMNPGAUBP-NQIIRXRSSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000446890854 458242775 /nfs/dbraw/zinc/24/27/75/458242775.db2.gz QDHBJGMNPGAUBP-NQIIRXRSSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nc(CC(C)C)no2)[nH+]1 ZINC000369512034 458244199 /nfs/dbraw/zinc/24/41/99/458244199.db2.gz QDRRIHFNYGKKJX-HNNXBMFYSA-N 2 2 329.448 3.048 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nc(CC(C)C)no2)[nH+]1 ZINC000369512034 458244204 /nfs/dbraw/zinc/24/42/04/458244204.db2.gz QDRRIHFNYGKKJX-HNNXBMFYSA-N 2 2 329.448 3.048 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000459045222 458252937 /nfs/dbraw/zinc/25/29/37/458252937.db2.gz ATNRIKPXWBTLRC-WBVHZDCISA-N 2 2 347.507 3.042 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000459045222 458252940 /nfs/dbraw/zinc/25/29/40/458252940.db2.gz ATNRIKPXWBTLRC-WBVHZDCISA-N 2 2 347.507 3.042 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000429253731 458298888 /nfs/dbraw/zinc/29/88/88/458298888.db2.gz LBDKVOSPHSDBLE-UHFFFAOYSA-N 2 2 346.450 3.244 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000429253731 458298892 /nfs/dbraw/zinc/29/88/92/458298892.db2.gz LBDKVOSPHSDBLE-UHFFFAOYSA-N 2 2 346.450 3.244 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000447539679 458307869 /nfs/dbraw/zinc/30/78/69/458307869.db2.gz ATTPQWQOBPXOMA-WOZUAGRISA-N 2 2 342.527 3.472 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000447539679 458307871 /nfs/dbraw/zinc/30/78/71/458307871.db2.gz ATTPQWQOBPXOMA-WOZUAGRISA-N 2 2 342.527 3.472 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000376512305 458323614 /nfs/dbraw/zinc/32/36/14/458323614.db2.gz AEBKMVIBPSKBIX-OAQYLSRUSA-N 2 2 348.450 3.367 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000376512305 458323621 /nfs/dbraw/zinc/32/36/21/458323621.db2.gz AEBKMVIBPSKBIX-OAQYLSRUSA-N 2 2 348.450 3.367 20 0 EGADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000429552517 458343922 /nfs/dbraw/zinc/34/39/22/458343922.db2.gz AQEVPEJTRWUWJY-UHFFFAOYSA-N 2 2 342.487 3.027 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)[C@H]1Sc1ccccc1 ZINC000459362749 458344958 /nfs/dbraw/zinc/34/49/58/458344958.db2.gz GYHDLCCOAPIUHV-DZOHQFGASA-N 2 2 331.485 3.200 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000372976872 458364181 /nfs/dbraw/zinc/36/41/81/458364181.db2.gz PGIXLTRBFFCCEP-OALUTQOASA-N 2 2 334.891 3.462 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372997177 458370621 /nfs/dbraw/zinc/37/06/21/458370621.db2.gz NABDJQKZGZFKLR-UHFFFAOYSA-N 2 2 335.455 3.346 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000372997177 458370627 /nfs/dbraw/zinc/37/06/27/458370627.db2.gz NABDJQKZGZFKLR-UHFFFAOYSA-N 2 2 335.455 3.346 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448032502 458381659 /nfs/dbraw/zinc/38/16/59/458381659.db2.gz WUVRSMIGDUBAAG-MAUKXSAKSA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448032502 458381665 /nfs/dbraw/zinc/38/16/65/458381665.db2.gz WUVRSMIGDUBAAG-MAUKXSAKSA-N 2 2 347.503 3.122 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)C1 ZINC000376803723 458393207 /nfs/dbraw/zinc/39/32/07/458393207.db2.gz HDMSOWUOCXYHQU-NEWSRXKRSA-N 2 2 330.472 3.097 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCC3)O2)C1 ZINC000376803723 458393212 /nfs/dbraw/zinc/39/32/12/458393212.db2.gz HDMSOWUOCXYHQU-NEWSRXKRSA-N 2 2 330.472 3.097 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000437142732 458429959 /nfs/dbraw/zinc/42/99/59/458429959.db2.gz GVOHYUSGWBWJCN-ICSRJNTNSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cn1 ZINC000437142732 458429964 /nfs/dbraw/zinc/42/99/64/458429964.db2.gz GVOHYUSGWBWJCN-ICSRJNTNSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000437142732 458429969 /nfs/dbraw/zinc/42/99/69/458429969.db2.gz GVOHYUSGWBWJCN-ICSRJNTNSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1 ZINC000437142732 458429975 /nfs/dbraw/zinc/42/99/75/458429975.db2.gz GVOHYUSGWBWJCN-ICSRJNTNSA-N 2 2 336.483 3.376 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373227881 458436992 /nfs/dbraw/zinc/43/69/92/458436992.db2.gz KVXLAGZVDYAAOI-INIZCTEOSA-N 2 2 329.492 3.368 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373227881 458436994 /nfs/dbraw/zinc/43/69/94/458436994.db2.gz KVXLAGZVDYAAOI-INIZCTEOSA-N 2 2 329.492 3.368 20 0 EGADLP CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1F ZINC000373270806 458448684 /nfs/dbraw/zinc/44/86/84/458448684.db2.gz NJMSDOIGHVCPPW-UHFFFAOYSA-N 2 2 340.402 3.403 20 0 EGADLP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)cc12 ZINC000423535943 458453907 /nfs/dbraw/zinc/45/39/07/458453907.db2.gz YQIRERICIGVMFS-RRQGHBQHSA-N 2 2 340.496 3.349 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423579143 458458064 /nfs/dbraw/zinc/45/80/64/458458064.db2.gz VTTDREMCRPCFBU-CJNGLKHVSA-N 2 2 332.394 3.271 20 0 EGADLP Clc1ccccc1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccs1 ZINC000423577431 458458096 /nfs/dbraw/zinc/45/80/96/458458096.db2.gz SFBUXYDHJPKGDM-GOEBONIOSA-N 2 2 336.888 3.263 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558632 458460520 /nfs/dbraw/zinc/46/05/20/458460520.db2.gz WEBKGMFFFUDIHM-DOTOQJQBSA-N 2 2 329.513 3.488 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558632 458460528 /nfs/dbraw/zinc/46/05/28/458460528.db2.gz WEBKGMFFFUDIHM-DOTOQJQBSA-N 2 2 329.513 3.488 20 0 EGADLP CCc1oc2ccccc2c1C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430563564 458462328 /nfs/dbraw/zinc/46/23/28/458462328.db2.gz JFFJAQMKJPEGBP-UHFFFAOYSA-N 2 2 328.416 3.204 20 0 EGADLP CCc1oc2ccccc2c1C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430563564 458462335 /nfs/dbraw/zinc/46/23/35/458462335.db2.gz JFFJAQMKJPEGBP-UHFFFAOYSA-N 2 2 328.416 3.204 20 0 EGADLP COc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000430578396 458465290 /nfs/dbraw/zinc/46/52/90/458465290.db2.gz PDHOEXXOPPVCGD-MRXNPFEDSA-N 2 2 344.459 3.389 20 0 EGADLP COc1ccc([C@H]2CCCCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000430578396 458465294 /nfs/dbraw/zinc/46/52/94/458465294.db2.gz PDHOEXXOPPVCGD-MRXNPFEDSA-N 2 2 344.459 3.389 20 0 EGADLP C[C@](C[NH3+])([NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000430591592 458467797 /nfs/dbraw/zinc/46/77/97/458467797.db2.gz KPYVQKMGYYQQSJ-CQSZACIVSA-N 2 2 349.219 3.268 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000430596502 458469278 /nfs/dbraw/zinc/46/92/78/458469278.db2.gz OQQAYEZFIGRFIO-FQEVSTJZSA-N 2 2 337.552 3.443 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602602 458470618 /nfs/dbraw/zinc/47/06/18/458470618.db2.gz WRQGZGGVYKXQFK-XKGZKEIXSA-N 2 2 337.467 3.426 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000430602602 458470621 /nfs/dbraw/zinc/47/06/21/458470621.db2.gz WRQGZGGVYKXQFK-XKGZKEIXSA-N 2 2 337.467 3.426 20 0 EGADLP Cc1c[nH]c(-c2ccccc2NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000423769275 458481159 /nfs/dbraw/zinc/48/11/59/458481159.db2.gz GCVLOKXLGZNLGH-UKRRQHHQSA-N 2 2 326.444 3.349 20 0 EGADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430963610 458510804 /nfs/dbraw/zinc/51/08/04/458510804.db2.gz AJLUHPIZUWDWPB-MNOVXSKESA-N 2 2 340.349 3.097 20 0 EGADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430963610 458510821 /nfs/dbraw/zinc/51/08/21/458510821.db2.gz AJLUHPIZUWDWPB-MNOVXSKESA-N 2 2 340.349 3.097 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CCSC1 ZINC000431338607 458558910 /nfs/dbraw/zinc/55/89/10/458558910.db2.gz OXUFAYOITAHHLT-QUCCMNQESA-N 2 2 346.540 3.416 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337297 458559725 /nfs/dbraw/zinc/55/97/25/458559725.db2.gz MVKVQLPHYSGUSM-VOBQZIQPSA-N 2 2 326.484 3.461 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000431337297 458559733 /nfs/dbraw/zinc/55/97/33/458559733.db2.gz MVKVQLPHYSGUSM-VOBQZIQPSA-N 2 2 326.484 3.461 20 0 EGADLP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299820 458609049 /nfs/dbraw/zinc/60/90/49/458609049.db2.gz VXMYKPPBVMXEEG-VQTJNVASSA-N 2 2 340.515 3.261 20 0 EGADLP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299820 458609056 /nfs/dbraw/zinc/60/90/56/458609056.db2.gz VXMYKPPBVMXEEG-VQTJNVASSA-N 2 2 340.515 3.261 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307527 458611972 /nfs/dbraw/zinc/61/19/72/458611972.db2.gz XQVAKVMXZXRALZ-ICSRJNTNSA-N 3 2 347.522 3.312 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000424307527 458611976 /nfs/dbraw/zinc/61/19/76/458611976.db2.gz XQVAKVMXZXRALZ-ICSRJNTNSA-N 3 2 347.522 3.312 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C(C)C)cc1 ZINC000424333748 458618758 /nfs/dbraw/zinc/61/87/58/458618758.db2.gz MTCVMXLPTQZYOZ-SBHAEUEKSA-N 2 2 345.531 3.483 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])nnn1-c1cccc(Cl)c1 ZINC000424378564 458629230 /nfs/dbraw/zinc/62/92/30/458629230.db2.gz TWMLMGAZOJBKBX-HFBAOOFYSA-N 2 2 333.867 3.150 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000424423765 458639897 /nfs/dbraw/zinc/63/98/97/458639897.db2.gz VQTUQFXMTMWDBO-IAGOWNOFSA-N 2 2 326.400 3.265 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000494399773 458670089 /nfs/dbraw/zinc/67/00/89/458670089.db2.gz OVJDASALVJRQAD-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000494399773 458670094 /nfs/dbraw/zinc/67/00/94/458670094.db2.gz OVJDASALVJRQAD-HOTGVXAUSA-N 2 2 336.480 3.041 20 0 EGADLP c1ccc2cc(CC[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000502896559 458679287 /nfs/dbraw/zinc/67/92/87/458679287.db2.gz VOTFEKFUFNPOLD-HXUWFJFHSA-N 2 2 338.495 3.427 20 0 EGADLP c1ccc2cc(CC[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000502896559 458679292 /nfs/dbraw/zinc/67/92/92/458679292.db2.gz VOTFEKFUFNPOLD-HXUWFJFHSA-N 2 2 338.495 3.427 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000530217631 458720280 /nfs/dbraw/zinc/72/02/80/458720280.db2.gz UQLYBIVLOXNSLG-HOTGVXAUSA-N 2 2 330.863 3.037 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000530232419 458724824 /nfs/dbraw/zinc/72/48/24/458724824.db2.gz OWTPFCKJSQBCCL-WHMCQKABSA-N 2 2 328.500 3.290 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000530232419 458724832 /nfs/dbraw/zinc/72/48/32/458724832.db2.gz OWTPFCKJSQBCCL-WHMCQKABSA-N 2 2 328.500 3.290 20 0 EGADLP CCN(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CCC(F)(F)F ZINC000494851240 458756524 /nfs/dbraw/zinc/75/65/24/458756524.db2.gz XXBVBHAJXRWTCD-UHFFFAOYSA-N 2 2 340.393 3.236 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472467266 458798696 /nfs/dbraw/zinc/79/86/96/458798696.db2.gz PMYXXTVGDRFBRC-WBVHZDCISA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472467266 458798701 /nfs/dbraw/zinc/79/87/01/458798701.db2.gz PMYXXTVGDRFBRC-WBVHZDCISA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472467266 458798705 /nfs/dbraw/zinc/79/87/05/458798705.db2.gz PMYXXTVGDRFBRC-WBVHZDCISA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472467266 458798708 /nfs/dbraw/zinc/79/87/08/458798708.db2.gz PMYXXTVGDRFBRC-WBVHZDCISA-N 2 2 340.471 3.461 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c[nH+]1 ZINC000456853910 458801415 /nfs/dbraw/zinc/80/14/15/458801415.db2.gz YHDAVVDWGQSSRG-KRWDZBQOSA-N 2 2 331.847 3.271 20 0 EGADLP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578450 458802470 /nfs/dbraw/zinc/80/24/70/458802470.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 3 2 344.547 3.494 20 0 EGADLP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578450 458802475 /nfs/dbraw/zinc/80/24/75/458802475.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 3 2 344.547 3.494 20 0 EGADLP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578450 458802480 /nfs/dbraw/zinc/80/24/80/458802480.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 3 2 344.547 3.494 20 0 EGADLP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472578450 458802482 /nfs/dbraw/zinc/80/24/82/458802482.db2.gz GPUPLSMVUSVYDQ-FQEVSTJZSA-N 3 2 344.547 3.494 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000474262402 458872370 /nfs/dbraw/zinc/87/23/70/458872370.db2.gz CRDIKNGPXAJMCF-IBGZPJMESA-N 2 2 338.499 3.489 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000474262402 458872372 /nfs/dbraw/zinc/87/23/72/458872372.db2.gz CRDIKNGPXAJMCF-IBGZPJMESA-N 2 2 338.499 3.489 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C[N@H+]1Cc1ccccc1 ZINC000441194680 458899218 /nfs/dbraw/zinc/89/92/18/458899218.db2.gz GIPVRFGEQVFIKF-PXNSSMCTSA-N 2 2 349.478 3.176 20 0 EGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000519111730 458916539 /nfs/dbraw/zinc/91/65/39/458916539.db2.gz WYHWQSFLSVQAND-YCRPNKLZSA-N 2 2 334.467 3.361 20 0 EGADLP Cc1cccn2c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000475350905 458938121 /nfs/dbraw/zinc/93/81/21/458938121.db2.gz FKKMYVVNRDETNK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccn2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000475350905 458938130 /nfs/dbraw/zinc/93/81/30/458938130.db2.gz FKKMYVVNRDETNK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccn2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000475350905 458938138 /nfs/dbraw/zinc/93/81/38/458938138.db2.gz FKKMYVVNRDETNK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cccn2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000475350905 458938145 /nfs/dbraw/zinc/93/81/45/458938145.db2.gz FKKMYVVNRDETNK-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc2[nH+]cc(CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2c1 ZINC000475354748 458939059 /nfs/dbraw/zinc/93/90/59/458939059.db2.gz XWXGFZZURYRSEJ-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc2[nH+]cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)n2c1 ZINC000475354748 458939065 /nfs/dbraw/zinc/93/90/65/458939065.db2.gz XWXGFZZURYRSEJ-BGYRXZFFSA-N 2 2 346.478 3.207 20 0 EGADLP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000556240705 458941840 /nfs/dbraw/zinc/94/18/40/458941840.db2.gz ZADZQCOPUFMHDF-RTWAWAEBSA-N 2 2 330.516 3.210 20 0 EGADLP CC(C)CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000556240705 458941845 /nfs/dbraw/zinc/94/18/45/458941845.db2.gz ZADZQCOPUFMHDF-RTWAWAEBSA-N 2 2 330.516 3.210 20 0 EGADLP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000566555716 458959266 /nfs/dbraw/zinc/95/92/66/458959266.db2.gz SIFGHWZMJQWTRL-HZPDHXFCSA-N 2 2 338.377 3.028 20 0 EGADLP Clc1cccc(Cl)c1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519821292 459010968 /nfs/dbraw/zinc/01/09/68/459010968.db2.gz BGPFYKCGEKLLOI-MRXNPFEDSA-N 2 2 329.271 3.448 20 0 EGADLP Clc1cccc(Cl)c1OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519821292 459010972 /nfs/dbraw/zinc/01/09/72/459010972.db2.gz BGPFYKCGEKLLOI-MRXNPFEDSA-N 2 2 329.271 3.448 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753293 459031890 /nfs/dbraw/zinc/03/18/90/459031890.db2.gz GHLJNTKPPWHLAB-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000442753293 459031894 /nfs/dbraw/zinc/03/18/94/459031894.db2.gz GHLJNTKPPWHLAB-HOTGVXAUSA-N 2 2 339.439 3.087 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000442780472 459034668 /nfs/dbraw/zinc/03/46/68/459034668.db2.gz NRCFWMFNNVIRLR-JIRNRHONSA-N 2 2 343.515 3.105 20 0 EGADLP CC(C)C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000442780472 459034673 /nfs/dbraw/zinc/03/46/73/459034673.db2.gz NRCFWMFNNVIRLR-JIRNRHONSA-N 2 2 343.515 3.105 20 0 EGADLP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C[NH3+])c1ccc3ccccc3c1)C2 ZINC000567041516 459038865 /nfs/dbraw/zinc/03/88/65/459038865.db2.gz JNDWQKWNVFUKOO-FPOVZHCZSA-N 2 2 348.446 3.442 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccccc3Cl)c2cc1C ZINC000567125928 459052117 /nfs/dbraw/zinc/05/21/17/459052117.db2.gz KQSVSOQPEPVGFL-MRXNPFEDSA-N 2 2 343.858 3.457 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000532239256 459052307 /nfs/dbraw/zinc/05/23/07/459052307.db2.gz MGSZFSHAXCALDG-HUUCEWRRSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(Cl)c1 ZINC000532239256 459052309 /nfs/dbraw/zinc/05/23/09/459052309.db2.gz MGSZFSHAXCALDG-HUUCEWRRSA-N 2 2 337.895 3.297 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(F)cc3F)c2cc1C ZINC000557799875 459109770 /nfs/dbraw/zinc/10/97/70/459109770.db2.gz GIACSSXVRRXPJC-INIZCTEOSA-N 2 2 345.393 3.082 20 0 EGADLP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)C ZINC000594622833 459116601 /nfs/dbraw/zinc/11/66/01/459116601.db2.gz GKJVLQFIXGGHOU-LJQANCHMSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064823 459119571 /nfs/dbraw/zinc/11/95/71/459119571.db2.gz FYNCMTYJNRQAJY-AHRSYUTCSA-N 2 2 330.516 3.474 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000479064823 459119580 /nfs/dbraw/zinc/11/95/80/459119580.db2.gz FYNCMTYJNRQAJY-AHRSYUTCSA-N 2 2 330.516 3.474 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000567604569 459131291 /nfs/dbraw/zinc/13/12/91/459131291.db2.gz DHXUQDDIDQSCIZ-IAGOWNOFSA-N 2 2 330.863 3.465 20 0 EGADLP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000480581563 459206907 /nfs/dbraw/zinc/20/69/07/459206907.db2.gz RNEXAWFAOBOZSK-KDURUIRLSA-N 2 2 336.483 3.477 20 0 EGADLP Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000480581563 459206909 /nfs/dbraw/zinc/20/69/09/459206909.db2.gz RNEXAWFAOBOZSK-KDURUIRLSA-N 2 2 336.483 3.477 20 0 EGADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273737 459247389 /nfs/dbraw/zinc/24/73/89/459247389.db2.gz ZGAMPSMNVNNVCB-ZFWWWQNUSA-N 2 2 337.305 3.238 20 0 EGADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000559273737 459247394 /nfs/dbraw/zinc/24/73/94/459247394.db2.gz ZGAMPSMNVNNVCB-ZFWWWQNUSA-N 2 2 337.305 3.238 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000559905750 459285149 /nfs/dbraw/zinc/28/51/49/459285149.db2.gz ZMYKMXAKJHARKJ-RTWAWAEBSA-N 2 2 340.515 3.408 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000559905750 459285151 /nfs/dbraw/zinc/28/51/51/459285151.db2.gz ZMYKMXAKJHARKJ-RTWAWAEBSA-N 2 2 340.515 3.408 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082753 459309345 /nfs/dbraw/zinc/30/93/45/459309345.db2.gz KPGJEEJWZOHOQP-XJKSGUPXSA-N 2 2 332.835 3.201 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082753 459309351 /nfs/dbraw/zinc/30/93/51/459309351.db2.gz KPGJEEJWZOHOQP-XJKSGUPXSA-N 2 2 332.835 3.201 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083399 459310633 /nfs/dbraw/zinc/31/06/33/459310633.db2.gz UVDPSFMDXPFRKW-CQSZACIVSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000591083399 459310640 /nfs/dbraw/zinc/31/06/40/459310640.db2.gz UVDPSFMDXPFRKW-CQSZACIVSA-N 2 2 332.835 3.121 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1Oc1cccc(F)c1)C1CC1 ZINC000568619573 459317779 /nfs/dbraw/zinc/31/77/79/459317779.db2.gz DHOAIOCBCXOHDP-SFHVURJKSA-N 2 2 344.430 3.163 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1Oc1cccc(F)c1)C1CC1 ZINC000568619573 459317782 /nfs/dbraw/zinc/31/77/82/459317782.db2.gz DHOAIOCBCXOHDP-SFHVURJKSA-N 2 2 344.430 3.163 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000496773505 459318765 /nfs/dbraw/zinc/31/87/65/459318765.db2.gz OZLLYUMYXDEYMQ-HNNXBMFYSA-N 2 2 349.475 3.146 20 0 EGADLP CCCC[C@H](CCC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000483998699 459402059 /nfs/dbraw/zinc/40/20/59/459402059.db2.gz AJCWVPJGSVHQMM-KRWDZBQOSA-N 2 2 340.556 3.013 20 0 EGADLP CCCC[C@H](CCC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000483998699 459402061 /nfs/dbraw/zinc/40/20/61/459402061.db2.gz AJCWVPJGSVHQMM-KRWDZBQOSA-N 2 2 340.556 3.013 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618066 459482273 /nfs/dbraw/zinc/48/22/73/459482273.db2.gz BUAXXFCLZNGIPO-APWZRJJASA-N 2 2 349.478 3.262 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000569618066 459482281 /nfs/dbraw/zinc/48/22/81/459482281.db2.gz BUAXXFCLZNGIPO-APWZRJJASA-N 2 2 349.478 3.262 20 0 EGADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000583148859 459490884 /nfs/dbraw/zinc/49/08/84/459490884.db2.gz ROQZECIXXCEZQK-GOSISDBHSA-N 2 2 334.891 3.154 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000562097259 459511018 /nfs/dbraw/zinc/51/10/18/459511018.db2.gz OBDDWGOBOGZCFW-KMFMINBZSA-N 2 2 326.406 3.480 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000562097259 459511023 /nfs/dbraw/zinc/51/10/23/459511023.db2.gz OBDDWGOBOGZCFW-KMFMINBZSA-N 2 2 326.406 3.480 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000569828866 459518294 /nfs/dbraw/zinc/51/82/94/459518294.db2.gz JNMHCMBWIKPSHC-INIZCTEOSA-N 2 2 339.439 3.478 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000583372242 459527491 /nfs/dbraw/zinc/52/74/91/459527491.db2.gz NNFQVNURELOSDN-NQIIRXRSSA-N 2 2 340.467 3.119 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000583372242 459527493 /nfs/dbraw/zinc/52/74/93/459527493.db2.gz NNFQVNURELOSDN-NQIIRXRSSA-N 2 2 340.467 3.119 20 0 EGADLP c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)C2)cc1 ZINC000583388683 459530543 /nfs/dbraw/zinc/53/05/43/459530543.db2.gz AOPMCUCFBNSEFD-CTNGQTDRSA-N 2 2 327.516 3.258 20 0 EGADLP c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)C2)cc1 ZINC000583388683 459530549 /nfs/dbraw/zinc/53/05/49/459530549.db2.gz AOPMCUCFBNSEFD-CTNGQTDRSA-N 2 2 327.516 3.258 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)c2)cc1 ZINC000569919306 459530940 /nfs/dbraw/zinc/53/09/40/459530940.db2.gz YONAKGSPZMCQNR-OXJNMPFZSA-N 2 2 337.467 3.335 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000583507797 459552814 /nfs/dbraw/zinc/55/28/14/459552814.db2.gz NSXABHAIVOMMNF-HNNXBMFYSA-N 2 2 340.471 3.146 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000583507797 459552822 /nfs/dbraw/zinc/55/28/22/459552822.db2.gz NSXABHAIVOMMNF-HNNXBMFYSA-N 2 2 340.471 3.146 20 0 EGADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000562748975 459640240 /nfs/dbraw/zinc/64/02/40/459640240.db2.gz BMMIVMPTBZPGRO-KSSFIOAISA-N 2 2 338.411 3.090 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000573219340 459645124 /nfs/dbraw/zinc/64/51/24/459645124.db2.gz YEQSPVMVPQDUAK-KUHUBIRLSA-N 2 2 341.430 3.019 20 0 EGADLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000562777971 459645627 /nfs/dbraw/zinc/64/56/27/459645627.db2.gz BFJRGIFUTQSTMG-MGPUTAFESA-N 2 2 339.414 3.266 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCn3c(Cc4ccccc4)nnc3C2)c[nH+]1 ZINC000527510622 459652101 /nfs/dbraw/zinc/65/21/01/459652101.db2.gz VFXXFDQOVIZONV-UHFFFAOYSA-N 2 2 347.466 3.021 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCn3c(Cc4ccccc4)nnc3C2)c[nH+]1 ZINC000527510622 459652108 /nfs/dbraw/zinc/65/21/08/459652108.db2.gz VFXXFDQOVIZONV-UHFFFAOYSA-N 2 2 347.466 3.021 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355360 459664549 /nfs/dbraw/zinc/66/45/49/459664549.db2.gz WCRVLPBFWGYZOP-AXNOTKAXSA-N 3 2 339.458 3.253 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573357921 459664567 /nfs/dbraw/zinc/66/45/67/459664567.db2.gz DLNGQNIZATYTFJ-WMLDXEAASA-N 2 2 340.870 3.367 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]CC2(O)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573357921 459664572 /nfs/dbraw/zinc/66/45/72/459664572.db2.gz DLNGQNIZATYTFJ-WMLDXEAASA-N 2 2 340.870 3.367 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000527638559 459680512 /nfs/dbraw/zinc/68/05/12/459680512.db2.gz VMMHWKPJKPLOKW-NEPJUHHUSA-N 2 2 345.231 3.444 20 0 EGADLP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1F ZINC000527638559 459680519 /nfs/dbraw/zinc/68/05/19/459680519.db2.gz VMMHWKPJKPLOKW-NEPJUHHUSA-N 2 2 345.231 3.444 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527680562 459697381 /nfs/dbraw/zinc/69/73/81/459697381.db2.gz CKJWGEPUWARFAM-HNNXBMFYSA-N 2 2 347.532 3.001 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000527680562 459697387 /nfs/dbraw/zinc/69/73/87/459697387.db2.gz CKJWGEPUWARFAM-HNNXBMFYSA-N 2 2 347.532 3.001 20 0 EGADLP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)CCC[N@@H+]1C ZINC000527705922 459708367 /nfs/dbraw/zinc/70/83/67/459708367.db2.gz RRDFTHYPFIYNQP-FXAWDEMLSA-N 2 2 337.471 3.074 20 0 EGADLP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)CCC[N@H+]1C ZINC000527705922 459708371 /nfs/dbraw/zinc/70/83/71/459708371.db2.gz RRDFTHYPFIYNQP-FXAWDEMLSA-N 2 2 337.471 3.074 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527751111 459724844 /nfs/dbraw/zinc/72/48/44/459724844.db2.gz HDFUOLASBLAFTG-INIZCTEOSA-N 2 2 333.442 3.010 20 0 EGADLP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527751111 459724847 /nfs/dbraw/zinc/72/48/47/459724847.db2.gz HDFUOLASBLAFTG-INIZCTEOSA-N 2 2 333.442 3.010 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000563270847 459752261 /nfs/dbraw/zinc/75/22/61/459752261.db2.gz CUFSDXKADRJCJO-OAQYLSRUSA-N 2 2 340.515 3.299 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000563270847 459752267 /nfs/dbraw/zinc/75/22/67/459752267.db2.gz CUFSDXKADRJCJO-OAQYLSRUSA-N 2 2 340.515 3.299 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000574003847 459767566 /nfs/dbraw/zinc/76/75/66/459767566.db2.gz CZYWERKNUHPLIS-KSSFIOAISA-N 2 2 333.451 3.149 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000574003847 459767570 /nfs/dbraw/zinc/76/75/70/459767570.db2.gz CZYWERKNUHPLIS-KSSFIOAISA-N 2 2 333.451 3.149 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527948066 459779984 /nfs/dbraw/zinc/77/99/84/459779984.db2.gz MCATZJAGPPYAQV-OGVSOVDVSA-N 2 2 334.426 3.219 20 0 EGADLP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527948066 459779995 /nfs/dbraw/zinc/77/99/95/459779995.db2.gz MCATZJAGPPYAQV-OGVSOVDVSA-N 2 2 334.426 3.219 20 0 EGADLP C[C@H](CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)n1cc[nH+]c1 ZINC000566331283 459843465 /nfs/dbraw/zinc/84/34/65/459843465.db2.gz PSEVNMAXMUNLNM-QZTJIDSGSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)n1cc[nH+]c1 ZINC000566331283 459843471 /nfs/dbraw/zinc/84/34/71/459843471.db2.gz PSEVNMAXMUNLNM-QZTJIDSGSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412591 459862426 /nfs/dbraw/zinc/86/24/26/459862426.db2.gz XUCNAECXXMWGPW-JKSUJKDBSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412591 459862429 /nfs/dbraw/zinc/86/24/29/459862429.db2.gz XUCNAECXXMWGPW-JKSUJKDBSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000575188373 459945352 /nfs/dbraw/zinc/94/53/52/459945352.db2.gz VZSSORFZNBRVCV-NSHDSACASA-N 2 2 344.286 3.381 20 0 EGADLP CCOc1cncc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000621713515 460019372 /nfs/dbraw/zinc/01/93/72/460019372.db2.gz NLSRLMLAKYYMKK-SFHVURJKSA-N 2 2 331.504 3.424 20 0 EGADLP CCOc1cncc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000621713515 460019378 /nfs/dbraw/zinc/01/93/78/460019378.db2.gz NLSRLMLAKYYMKK-SFHVURJKSA-N 2 2 331.504 3.424 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000575919612 460033064 /nfs/dbraw/zinc/03/30/64/460033064.db2.gz SFWVPPKNXIALFZ-HNNXBMFYSA-N 2 2 340.345 3.154 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602767265 460114154 /nfs/dbraw/zinc/11/41/54/460114154.db2.gz BXEBFOVCJDGBKW-QGZVFWFLSA-N 2 2 339.439 3.478 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602767265 460114161 /nfs/dbraw/zinc/11/41/61/460114161.db2.gz BXEBFOVCJDGBKW-QGZVFWFLSA-N 2 2 339.439 3.478 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000599047070 460139483 /nfs/dbraw/zinc/13/94/83/460139483.db2.gz OIQGYSIDRPNMPD-OQUMVOOASA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000599047070 460139489 /nfs/dbraw/zinc/13/94/89/460139489.db2.gz OIQGYSIDRPNMPD-OQUMVOOASA-N 2 2 344.499 3.361 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004147 460157933 /nfs/dbraw/zinc/15/79/33/460157933.db2.gz LHUHJRXXUDNERR-CRAIPNDOSA-N 2 2 330.863 3.147 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004147 460157937 /nfs/dbraw/zinc/15/79/37/460157937.db2.gz LHUHJRXXUDNERR-CRAIPNDOSA-N 2 2 330.863 3.147 20 0 EGADLP c1ccc(OCC2CC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517191 460314761 /nfs/dbraw/zinc/31/47/61/460314761.db2.gz HWQZOHRDKUEESA-HXUWFJFHSA-N 2 2 344.499 3.208 20 0 EGADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccc3[nH+]ccn3c1)CC2 ZINC000615445008 460328537 /nfs/dbraw/zinc/32/85/37/460328537.db2.gz GZQVTAZBAGXXJW-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CC[N@H+](Cc1nnc2n1CCCCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062673 460358977 /nfs/dbraw/zinc/35/89/77/460358977.db2.gz BBVMSVYBDQBERU-UHFFFAOYSA-N 2 2 341.503 3.088 20 0 EGADLP CC[N@@H+](Cc1nnc2n1CCCCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062673 460358981 /nfs/dbraw/zinc/35/89/81/460358981.db2.gz BBVMSVYBDQBERU-UHFFFAOYSA-N 2 2 341.503 3.088 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000626089384 460367094 /nfs/dbraw/zinc/36/70/94/460367094.db2.gz OCBOLWFQGFTCPB-MRXNPFEDSA-N 2 2 330.463 3.389 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1C ZINC000600112737 460385770 /nfs/dbraw/zinc/38/57/70/460385770.db2.gz VMYHCKNHZLOWHF-UHFFFAOYSA-N 2 2 347.503 3.259 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628393628 460397474 /nfs/dbraw/zinc/39/74/74/460397474.db2.gz KMEPOHAVPMSRBD-CQSZACIVSA-N 2 2 334.414 3.144 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1C ZINC000628393628 460397477 /nfs/dbraw/zinc/39/74/77/460397477.db2.gz KMEPOHAVPMSRBD-CQSZACIVSA-N 2 2 334.414 3.144 20 0 EGADLP CCOc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(C)c1 ZINC000623089322 460407932 /nfs/dbraw/zinc/40/79/32/460407932.db2.gz BUFNKGJSWJCOHG-UHFFFAOYSA-N 2 2 326.431 3.460 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCOC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000634680561 460473456 /nfs/dbraw/zinc/47/34/56/460473456.db2.gz VXKVUPIFUWUADF-PKOBYXMFSA-N 2 2 346.515 3.434 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000634732901 460498333 /nfs/dbraw/zinc/49/83/33/460498333.db2.gz ROYXACQBVCQOKM-RLLQIKCJSA-N 3 2 329.532 3.407 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000634732901 460498337 /nfs/dbraw/zinc/49/83/37/460498337.db2.gz ROYXACQBVCQOKM-RLLQIKCJSA-N 3 2 329.532 3.407 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631665811 460499528 /nfs/dbraw/zinc/49/95/28/460499528.db2.gz YCJCZOCHSMLQJH-AOIWGVFYSA-N 2 2 326.488 3.322 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631665811 460499536 /nfs/dbraw/zinc/49/95/36/460499536.db2.gz YCJCZOCHSMLQJH-AOIWGVFYSA-N 2 2 326.488 3.322 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000623871637 460754035 /nfs/dbraw/zinc/75/40/35/460754035.db2.gz JJMOTKGDJOUKJC-OCCSQVGLSA-N 2 2 348.384 3.342 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H]3CC[N@@H+]([C@@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410775 460775618 /nfs/dbraw/zinc/77/56/18/460775618.db2.gz DPKSWTFNSVPZHE-QFBILLFUSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410775 460775622 /nfs/dbraw/zinc/77/56/22/460775622.db2.gz DPKSWTFNSVPZHE-QFBILLFUSA-N 2 2 348.450 3.208 20 0 EGADLP CO[C@@H](C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000629540197 460801552 /nfs/dbraw/zinc/80/15/52/460801552.db2.gz RFUWJPMDHLRTHO-OTWHNJEPSA-N 2 2 332.394 3.079 20 0 EGADLP CO[C@@H](C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000629540197 460801559 /nfs/dbraw/zinc/80/15/59/460801559.db2.gz RFUWJPMDHLRTHO-OTWHNJEPSA-N 2 2 332.394 3.079 20 0 EGADLP O[C@H](CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1)C[NH+]1CCCC1 ZINC000629582731 460814881 /nfs/dbraw/zinc/81/48/81/460814881.db2.gz YKRDMKASUMEUKP-QGZVFWFLSA-N 2 2 336.439 3.099 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629652781 460846849 /nfs/dbraw/zinc/84/68/49/460846849.db2.gz BYGYXMYHZXLCJT-KBPBESRZSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629652781 460846856 /nfs/dbraw/zinc/84/68/56/460846856.db2.gz BYGYXMYHZXLCJT-KBPBESRZSA-N 2 2 346.393 3.053 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc(F)c1F ZINC000628184622 461037308 /nfs/dbraw/zinc/03/73/08/461037308.db2.gz SDMLTEZMEHXDGH-OAHLLOKOSA-N 2 2 337.458 3.339 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc(F)c1F ZINC000628184622 461037316 /nfs/dbraw/zinc/03/73/16/461037316.db2.gz SDMLTEZMEHXDGH-OAHLLOKOSA-N 2 2 337.458 3.339 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000652353586 461146654 /nfs/dbraw/zinc/14/66/54/461146654.db2.gz SPSHCRYPYJNVFY-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H]1CC[NH3+] ZINC000652353586 461146656 /nfs/dbraw/zinc/14/66/56/461146656.db2.gz SPSHCRYPYJNVFY-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP CC(C)[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nc(C2CC2)no1 ZINC000662284571 461166571 /nfs/dbraw/zinc/16/65/71/461166571.db2.gz ZDTYLMUUQZLAQM-QGZVFWFLSA-N 2 2 326.444 3.080 20 0 EGADLP OCC1([C@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccccc2)CCCC1 ZINC000668229818 461195751 /nfs/dbraw/zinc/19/57/51/461195751.db2.gz UUNBJINYHHYHAT-LJQANCHMSA-N 2 2 325.456 3.213 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638017070 461198367 /nfs/dbraw/zinc/19/83/67/461198367.db2.gz BXDAJKCNXNDIGZ-RDJZCZTQSA-N 2 2 327.428 3.225 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCC[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638017070 461198374 /nfs/dbraw/zinc/19/83/74/461198374.db2.gz BXDAJKCNXNDIGZ-RDJZCZTQSA-N 2 2 327.428 3.225 20 0 EGADLP COc1cncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000638067281 461222739 /nfs/dbraw/zinc/22/27/39/461222739.db2.gz QZFAZQJXTMKHHC-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1cncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000638067281 461222747 /nfs/dbraw/zinc/22/27/47/461222747.db2.gz QZFAZQJXTMKHHC-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1cncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000638067281 461222751 /nfs/dbraw/zinc/22/27/51/461222751.db2.gz QZFAZQJXTMKHHC-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1cncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000638067281 461222761 /nfs/dbraw/zinc/22/27/61/461222761.db2.gz QZFAZQJXTMKHHC-LJQANCHMSA-N 2 2 339.483 3.353 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(c3c[nH]c[nH+]3)CC1)CC2 ZINC000638086721 461232414 /nfs/dbraw/zinc/23/24/14/461232414.db2.gz VCVGCRBXBGNZEO-KRWDZBQOSA-N 2 2 327.428 3.294 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000641429551 461245922 /nfs/dbraw/zinc/24/59/22/461245922.db2.gz UZDCRDZGZQIDLL-OAQYLSRUSA-N 2 2 337.467 3.066 20 0 EGADLP CC(C)C[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)n1cc[nH+]c1 ZINC000638334165 461375526 /nfs/dbraw/zinc/37/55/26/461375526.db2.gz WIJKHPXAMAGFBU-OAHLLOKOSA-N 2 2 347.488 3.033 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)c(Cl)c1 ZINC000655707456 461378703 /nfs/dbraw/zinc/37/87/03/461378703.db2.gz STWDLWXJJHSLRY-IUODEOHRSA-N 2 2 326.843 3.383 20 0 EGADLP COc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000655718300 461387512 /nfs/dbraw/zinc/38/75/12/461387512.db2.gz IOOBJZWGKMMDIU-UXHICEINSA-N 2 2 346.515 3.105 20 0 EGADLP Cc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655718822 461387820 /nfs/dbraw/zinc/38/78/20/461387820.db2.gz NUWPTVGDDRGKFR-NJYVYQBISA-N 2 2 344.499 3.058 20 0 EGADLP C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000668703332 461388207 /nfs/dbraw/zinc/38/82/07/461388207.db2.gz PCBAQEZODZHCRB-INIZCTEOSA-N 2 2 349.438 3.073 20 0 EGADLP C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000668703332 461388213 /nfs/dbraw/zinc/38/82/13/461388213.db2.gz PCBAQEZODZHCRB-INIZCTEOSA-N 2 2 349.438 3.073 20 0 EGADLP CCC(CC)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)on1 ZINC000655720419 461389367 /nfs/dbraw/zinc/38/93/67/461389367.db2.gz WCSWFFJLIWJYOM-QGZVFWFLSA-N 2 2 335.492 3.311 20 0 EGADLP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655722434 461390729 /nfs/dbraw/zinc/39/07/29/461390729.db2.gz AVEYPGTYJQIIEY-PKOBYXMFSA-N 2 2 342.483 3.276 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c(F)c1 ZINC000655736777 461403220 /nfs/dbraw/zinc/40/32/20/461403220.db2.gz SBBVGPPSXZGMON-WFASDCNBSA-N 2 2 326.843 3.383 20 0 EGADLP Fc1ccc(C2([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c(F)c1 ZINC000655748625 461417125 /nfs/dbraw/zinc/41/71/25/461417125.db2.gz DWXNBWYYEZYBFD-INIZCTEOSA-N 2 2 336.426 3.187 20 0 EGADLP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655759704 461423704 /nfs/dbraw/zinc/42/37/04/461423704.db2.gz FZLFIVQKVVRBDI-IEBWSBKVSA-N 2 2 330.472 3.052 20 0 EGADLP Brc1c2ccccc2oc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000655760998 461426894 /nfs/dbraw/zinc/42/68/94/461426894.db2.gz CWODVKLPQQYCFA-NSHDSACASA-N 2 2 346.228 3.496 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC2CCC1CC2 ZINC000638458085 461438607 /nfs/dbraw/zinc/43/86/07/461438607.db2.gz AIJAMLPRCBIPRB-RJPLPAITSA-N 3 2 333.564 3.349 20 0 EGADLP CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653064685 461483500 /nfs/dbraw/zinc/48/35/00/461483500.db2.gz ASYGOBDCZCAZGY-LBPRGKRZSA-N 2 2 329.897 3.058 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000653076741 461488848 /nfs/dbraw/zinc/48/88/48/461488848.db2.gz CYUBHWIQXVATNL-HNNXBMFYSA-N 2 2 347.846 3.350 20 0 EGADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000653078791 461490591 /nfs/dbraw/zinc/49/05/91/461490591.db2.gz JVNSDJCJWDHNDW-HOCLYGCPSA-N 2 2 331.460 3.011 20 0 EGADLP Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653078636 461491373 /nfs/dbraw/zinc/49/13/73/461491373.db2.gz GVOWDFJNDMGVCC-KRWDZBQOSA-N 2 2 343.496 3.364 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849117 461494732 /nfs/dbraw/zinc/49/47/32/461494732.db2.gz NDEQUEWMGOJRPX-BQFCYCMXSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849117 461494739 /nfs/dbraw/zinc/49/47/39/461494739.db2.gz NDEQUEWMGOJRPX-BQFCYCMXSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849362 461496554 /nfs/dbraw/zinc/49/65/54/461496554.db2.gz UMUQUOJTCDCMOS-JVPBZIDWSA-N 2 2 345.487 3.321 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849362 461496559 /nfs/dbraw/zinc/49/65/59/461496559.db2.gz UMUQUOJTCDCMOS-JVPBZIDWSA-N 2 2 345.487 3.321 20 0 EGADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000638602171 461500537 /nfs/dbraw/zinc/50/05/37/461500537.db2.gz SKKKXHWCRGAJBH-SOLBZPMBSA-N 2 2 331.504 3.153 20 0 EGADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653111635 461507010 /nfs/dbraw/zinc/50/70/10/461507010.db2.gz VOSSGKOSKXKJFA-INIZCTEOSA-N 2 2 338.455 3.215 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(Cl)c1OC ZINC000655857869 461507114 /nfs/dbraw/zinc/50/71/14/461507114.db2.gz XGYGNKRLFAKPOS-HZPDHXFCSA-N 2 2 338.879 3.464 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(Cl)c1OC ZINC000655857869 461507119 /nfs/dbraw/zinc/50/71/19/461507119.db2.gz XGYGNKRLFAKPOS-HZPDHXFCSA-N 2 2 338.879 3.464 20 0 EGADLP CCC[C@@H](C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)OC ZINC000638638263 461514340 /nfs/dbraw/zinc/51/43/40/461514340.db2.gz BSXRVCLCBDNJRJ-HKUYNNGSSA-N 2 2 334.504 3.291 20 0 EGADLP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000659973148 461524712 /nfs/dbraw/zinc/52/47/12/461524712.db2.gz MHASDZDQGATHHE-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)sn1 ZINC000659973148 461524716 /nfs/dbraw/zinc/52/47/16/461524716.db2.gz MHASDZDQGATHHE-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000659973148 461524718 /nfs/dbraw/zinc/52/47/18/461524718.db2.gz MHASDZDQGATHHE-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000659973148 461524722 /nfs/dbraw/zinc/52/47/22/461524722.db2.gz MHASDZDQGATHHE-INIZCTEOSA-N 2 2 331.485 3.106 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000631080410 461530199 /nfs/dbraw/zinc/53/01/99/461530199.db2.gz PTCBTSZLWXPRLL-ZYHUDNBSSA-N 2 2 345.256 3.169 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000631080410 461530208 /nfs/dbraw/zinc/53/02/08/461530208.db2.gz PTCBTSZLWXPRLL-ZYHUDNBSSA-N 2 2 345.256 3.169 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1c(F)cccc1Cl ZINC000638724500 461548262 /nfs/dbraw/zinc/54/82/62/461548262.db2.gz OOGVBTMBYBOKOC-GFCCVEGCSA-N 2 2 328.859 3.365 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000631113639 461560752 /nfs/dbraw/zinc/56/07/52/461560752.db2.gz IXLXECSWVSYVCW-MGPUTAFESA-N 2 2 325.456 3.426 20 0 EGADLP Clc1c(Br)cccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000631115824 461563699 /nfs/dbraw/zinc/56/36/99/461563699.db2.gz ZOPFMAANGGUPLS-NSHDSACASA-N 2 2 340.652 3.404 20 0 EGADLP c1sc(-c2ccccn2)nc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347242 461575658 /nfs/dbraw/zinc/57/56/58/461575658.db2.gz HVEAJXOBGUGISJ-INIZCTEOSA-N 2 2 342.512 3.417 20 0 EGADLP c1sc(-c2ccccn2)nc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347242 461575669 /nfs/dbraw/zinc/57/56/69/461575669.db2.gz HVEAJXOBGUGISJ-INIZCTEOSA-N 2 2 342.512 3.417 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000631137443 461581251 /nfs/dbraw/zinc/58/12/51/461581251.db2.gz BNFIVEJHQKRHSY-HRAATJIYSA-N 2 2 337.467 3.398 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000631137443 461581261 /nfs/dbraw/zinc/58/12/61/461581261.db2.gz BNFIVEJHQKRHSY-HRAATJIYSA-N 2 2 337.467 3.398 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638811982 461594775 /nfs/dbraw/zinc/59/47/75/461594775.db2.gz PBJHFCJDRAAFBL-YZGWKJHDSA-N 2 2 343.515 3.105 20 0 EGADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638811982 461594781 /nfs/dbraw/zinc/59/47/81/461594781.db2.gz PBJHFCJDRAAFBL-YZGWKJHDSA-N 2 2 343.515 3.105 20 0 EGADLP CC[NH+]1CCN(CCNc2cc[nH+]c3cc(F)c(Cl)cc23)CC1 ZINC000663395679 461616251 /nfs/dbraw/zinc/61/62/51/461616251.db2.gz CCXYIBNOQBGJIH-UHFFFAOYSA-N 2 2 336.842 3.077 20 0 EGADLP CCCC[NH+]1CCC(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000631188449 461626305 /nfs/dbraw/zinc/62/63/05/461626305.db2.gz AZRBVJMZODZNJN-UHFFFAOYSA-N 2 2 326.444 3.071 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000660197739 461630187 /nfs/dbraw/zinc/63/01/87/461630187.db2.gz OVCTYNDTCSTWRO-FPOVZHCZSA-N 2 2 342.483 3.097 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000660197739 461630197 /nfs/dbraw/zinc/63/01/97/461630197.db2.gz OVCTYNDTCSTWRO-FPOVZHCZSA-N 2 2 342.483 3.097 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194163 461632726 /nfs/dbraw/zinc/63/27/26/461632726.db2.gz JFMHQNYVKTYMKO-HKUYNNGSSA-N 2 2 326.488 3.322 20 0 EGADLP CC(C)n1ccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631194163 461632731 /nfs/dbraw/zinc/63/27/31/461632731.db2.gz JFMHQNYVKTYMKO-HKUYNNGSSA-N 2 2 326.488 3.322 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204206 461636896 /nfs/dbraw/zinc/63/68/96/461636896.db2.gz ZPIGFTDFDFPYBK-JXFKEZNVSA-N 2 2 327.472 3.100 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000660204206 461636901 /nfs/dbraw/zinc/63/69/01/461636901.db2.gz ZPIGFTDFDFPYBK-JXFKEZNVSA-N 2 2 327.472 3.100 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000660244445 461660251 /nfs/dbraw/zinc/66/02/51/461660251.db2.gz HSNPPAPROWZFQT-RTBURBONSA-N 2 2 332.536 3.353 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000656250918 461673456 /nfs/dbraw/zinc/67/34/56/461673456.db2.gz ATAJEJUYTOKYNJ-UHFFFAOYSA-N 2 2 339.418 3.353 20 0 EGADLP CC(C)c1[nH+]c(CNC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccn21 ZINC000656270130 461695367 /nfs/dbraw/zinc/69/53/67/461695367.db2.gz YWGVNSRAVCJPEF-YESZJQIVSA-N 2 2 344.503 3.045 20 0 EGADLP CC(C)c1[nH+]c(CNC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccn21 ZINC000656270130 461695378 /nfs/dbraw/zinc/69/53/78/461695378.db2.gz YWGVNSRAVCJPEF-YESZJQIVSA-N 2 2 344.503 3.045 20 0 EGADLP Cc1cc(CO)cc(NCC2([NH+]3CCSCC3)CCCCC2)[nH+]1 ZINC000663591124 461715321 /nfs/dbraw/zinc/71/53/21/461715321.db2.gz GXAANUVMRNDSMI-UHFFFAOYSA-N 2 2 335.517 3.046 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483859 461731930 /nfs/dbraw/zinc/73/19/30/461731930.db2.gz XOUJNYCOBDFPER-KSSFIOAISA-N 2 2 332.879 3.287 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647483859 461731934 /nfs/dbraw/zinc/73/19/34/461731934.db2.gz XOUJNYCOBDFPER-KSSFIOAISA-N 2 2 332.879 3.287 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000643456738 461732194 /nfs/dbraw/zinc/73/21/94/461732194.db2.gz UBIAHHUUOITFQS-LDQXTDLNSA-N 2 2 340.467 3.141 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@H](C)c2ccncc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643460277 461735523 /nfs/dbraw/zinc/73/55/23/461735523.db2.gz JCZOGIRXDZXZLM-YSSFQJQWSA-N 2 2 325.456 3.277 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCCC[NH2+]1 ZINC000643462257 461735828 /nfs/dbraw/zinc/73/58/28/461735828.db2.gz RBVVEOYJUBZZTL-UZLBHIALSA-N 2 2 325.456 3.281 20 0 EGADLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1OC(F)F ZINC000647498604 461737298 /nfs/dbraw/zinc/73/72/98/461737298.db2.gz KYMRNOVHPRQYHB-GXTWGEPZSA-N 2 2 328.403 3.246 20 0 EGADLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)c1OC(F)F ZINC000647498604 461737305 /nfs/dbraw/zinc/73/73/05/461737305.db2.gz KYMRNOVHPRQYHB-GXTWGEPZSA-N 2 2 328.403 3.246 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]CCN3CC=CCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639123481 461744004 /nfs/dbraw/zinc/74/40/04/461744004.db2.gz LGYTWCSXAIPDLV-FPOVZHCZSA-N 2 2 325.500 3.206 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]CCN3CC=CCC3)CC[N@H+]2C2CC2)cc1 ZINC000639123481 461744011 /nfs/dbraw/zinc/74/40/11/461744011.db2.gz LGYTWCSXAIPDLV-FPOVZHCZSA-N 2 2 325.500 3.206 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591243 461744374 /nfs/dbraw/zinc/74/43/74/461744374.db2.gz XHJZTEAFYRUXQT-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Cl)c1 ZINC000653591243 461744381 /nfs/dbraw/zinc/74/43/81/461744381.db2.gz XHJZTEAFYRUXQT-UONOGXRCSA-N 2 2 346.862 3.198 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647542175 461754203 /nfs/dbraw/zinc/75/42/03/461754203.db2.gz LSQLWZLQCHUZFY-CABCVRRESA-N 2 2 332.394 3.483 20 0 EGADLP FC(F)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647542175 461754213 /nfs/dbraw/zinc/75/42/13/461754213.db2.gz LSQLWZLQCHUZFY-CABCVRRESA-N 2 2 332.394 3.483 20 0 EGADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)s1 ZINC000643547261 461758817 /nfs/dbraw/zinc/75/88/17/461758817.db2.gz BWIRVOPLLNRENO-ZJUUUORDSA-N 2 2 330.295 3.231 20 0 EGADLP Cn1cc[nH+]c1[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000639145619 461760448 /nfs/dbraw/zinc/76/04/48/461760448.db2.gz UAZYXUKPNJWEHB-SJORKVTESA-N 2 2 332.879 3.417 20 0 EGADLP COC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1F ZINC000643548940 461760675 /nfs/dbraw/zinc/76/06/75/461760675.db2.gz XTCALBFNDKMGIK-WFASDCNBSA-N 2 2 326.843 3.431 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cccs2)CC1 ZINC000647550490 461763385 /nfs/dbraw/zinc/76/33/85/461763385.db2.gz UDRYCMOMMOPDTQ-FCGDIQPGSA-N 3 2 347.572 3.499 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1nc(-c2cccnc2)no1 ZINC000656527203 461773902 /nfs/dbraw/zinc/77/39/02/461773902.db2.gz MSODUXYKUCFOBS-QGZVFWFLSA-N 2 2 341.459 3.045 20 0 EGADLP Cc1cccc(CN(CC[NH+](C)C)[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000639172282 461780266 /nfs/dbraw/zinc/78/02/66/461780266.db2.gz KUDOFVVPEUMCNZ-LJQANCHMSA-N 2 2 326.488 3.243 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000639179719 461785218 /nfs/dbraw/zinc/78/52/18/461785218.db2.gz UPSFPMCDNPLIGJ-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000639179719 461785224 /nfs/dbraw/zinc/78/52/24/461785224.db2.gz UPSFPMCDNPLIGJ-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000639179719 461785228 /nfs/dbraw/zinc/78/52/28/461785228.db2.gz UPSFPMCDNPLIGJ-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000639179719 461785234 /nfs/dbraw/zinc/78/52/34/461785234.db2.gz UPSFPMCDNPLIGJ-XJKSGUPXSA-N 2 2 338.879 3.273 20 0 EGADLP C[NH2+][C@@H](c1nc([C@H]2CCC[NH2+]2)no1)c1cccc(Cl)c1Cl ZINC000656562235 461786545 /nfs/dbraw/zinc/78/65/45/461786545.db2.gz YVRVLLRFHRGGQX-ZYHUDNBSSA-N 2 2 327.215 3.110 20 0 EGADLP Fc1ccc(SCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660467337 461797181 /nfs/dbraw/zinc/79/71/81/461797181.db2.gz FPSOPBUORPNGKI-KRWDZBQOSA-N 2 2 338.492 3.105 20 0 EGADLP Fc1ccc(SCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660467337 461797188 /nfs/dbraw/zinc/79/71/88/461797188.db2.gz FPSOPBUORPNGKI-KRWDZBQOSA-N 2 2 338.492 3.105 20 0 EGADLP CC(C)O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475827 461800539 /nfs/dbraw/zinc/80/05/39/461800539.db2.gz VRNBNVLDTISGPY-NHCUHLMSSA-N 2 2 346.515 3.339 20 0 EGADLP CC(C)O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000660475827 461800546 /nfs/dbraw/zinc/80/05/46/461800546.db2.gz VRNBNVLDTISGPY-NHCUHLMSSA-N 2 2 346.515 3.339 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663830559 461828573 /nfs/dbraw/zinc/82/85/73/461828573.db2.gz WFVIADJAFXLGNG-INIZCTEOSA-N 2 2 332.488 3.040 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663830559 461828578 /nfs/dbraw/zinc/82/85/78/461828578.db2.gz WFVIADJAFXLGNG-INIZCTEOSA-N 2 2 332.488 3.040 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cn21 ZINC000647803931 461844545 /nfs/dbraw/zinc/84/45/45/461844545.db2.gz DRFILFPCULRVTF-GUDVDZBRSA-N 3 2 326.488 3.086 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2cccc(O)c2Br)[C@@H]1CC[NH3+] ZINC000650711938 461905866 /nfs/dbraw/zinc/90/58/66/461905866.db2.gz JTLWWSUMQXMWPW-WCQYABFASA-N 2 2 327.266 3.104 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)[C@@H]1CC[NH3+] ZINC000650711938 461905871 /nfs/dbraw/zinc/90/58/71/461905871.db2.gz JTLWWSUMQXMWPW-WCQYABFASA-N 2 2 327.266 3.104 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000639369088 461890603 /nfs/dbraw/zinc/89/06/03/461890603.db2.gz HHAHYPAFNDGFKX-UHOFOFEASA-N 2 2 334.847 3.164 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000639369088 461890607 /nfs/dbraw/zinc/89/06/07/461890607.db2.gz HHAHYPAFNDGFKX-UHOFOFEASA-N 2 2 334.847 3.164 20 0 EGADLP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)CC(C)(C)[NH3+] ZINC000656784279 461894388 /nfs/dbraw/zinc/89/43/88/461894388.db2.gz DLFXATCVDXHQRK-UHFFFAOYSA-N 2 2 335.455 3.103 20 0 EGADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)CC(C)(C)[NH3+] ZINC000656784279 461894394 /nfs/dbraw/zinc/89/43/94/461894394.db2.gz DLFXATCVDXHQRK-UHFFFAOYSA-N 2 2 335.455 3.103 20 0 EGADLP Cc1cc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)ccc1Oc1cc[nH+]cc1 ZINC000644157346 461901605 /nfs/dbraw/zinc/90/16/05/461901605.db2.gz SZGHBKHNIDHHBX-OAHLLOKOSA-N 2 2 347.365 3.366 20 0 EGADLP Clc1ccc(Cl)c(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000650709558 461903951 /nfs/dbraw/zinc/90/39/51/461903951.db2.gz FNHOEBFKRQXVFJ-ZDUSSCGKSA-N 2 2 328.287 3.115 20 0 EGADLP c1sc(COc2ccccc2)nc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996919 461904695 /nfs/dbraw/zinc/90/46/95/461904695.db2.gz LZJXDDDNXSSODZ-HNNXBMFYSA-N 2 2 343.496 3.486 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653759 461906388 /nfs/dbraw/zinc/90/63/88/461906388.db2.gz AHNZRAXNZMMTIE-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000660653759 461906394 /nfs/dbraw/zinc/90/63/94/461906394.db2.gz AHNZRAXNZMMTIE-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000660653759 461906399 /nfs/dbraw/zinc/90/63/99/461906399.db2.gz AHNZRAXNZMMTIE-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000660653759 461906405 /nfs/dbraw/zinc/90/64/05/461906405.db2.gz AHNZRAXNZMMTIE-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000660657468 461907017 /nfs/dbraw/zinc/90/70/17/461907017.db2.gz XRMLTNSDQYCBAS-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000660657468 461907021 /nfs/dbraw/zinc/90/70/21/461907021.db2.gz XRMLTNSDQYCBAS-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000660657468 461907029 /nfs/dbraw/zinc/90/70/29/461907029.db2.gz XRMLTNSDQYCBAS-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000660657468 461907035 /nfs/dbraw/zinc/90/70/35/461907035.db2.gz XRMLTNSDQYCBAS-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657563 461908706 /nfs/dbraw/zinc/90/87/06/461908706.db2.gz YCMPVLWEFNFXIY-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000660657563 461908708 /nfs/dbraw/zinc/90/87/08/461908708.db2.gz YCMPVLWEFNFXIY-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000660657563 461908713 /nfs/dbraw/zinc/90/87/13/461908713.db2.gz YCMPVLWEFNFXIY-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000660657563 461908716 /nfs/dbraw/zinc/90/87/16/461908716.db2.gz YCMPVLWEFNFXIY-YLJYHZDGSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c[nH+]1 ZINC000639405893 461911684 /nfs/dbraw/zinc/91/16/84/461911684.db2.gz NYVSBCWWKIAQMK-HNNXBMFYSA-N 2 2 346.496 3.119 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000647977226 461919371 /nfs/dbraw/zinc/91/93/71/461919371.db2.gz QGKMKISFQHBEIQ-GOSISDBHSA-N 2 2 338.455 3.403 20 0 EGADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000647977226 461919372 /nfs/dbraw/zinc/91/93/72/461919372.db2.gz QGKMKISFQHBEIQ-GOSISDBHSA-N 2 2 338.455 3.403 20 0 EGADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000660694812 461927302 /nfs/dbraw/zinc/92/73/02/461927302.db2.gz IVDCXCLUXHGRDA-UHFFFAOYSA-N 2 2 334.504 3.046 20 0 EGADLP C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000639457673 461933676 /nfs/dbraw/zinc/93/36/76/461933676.db2.gz VWXSXRWXPHKOMR-FSPWUOQZSA-N 2 2 334.423 3.102 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648010494 461939968 /nfs/dbraw/zinc/93/99/68/461939968.db2.gz FJTCUGSIEXONMD-MRXNPFEDSA-N 2 2 330.476 3.152 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000648010494 461939969 /nfs/dbraw/zinc/93/99/69/461939969.db2.gz FJTCUGSIEXONMD-MRXNPFEDSA-N 2 2 330.476 3.152 20 0 EGADLP CC1([NH3+])CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000667099604 461949300 /nfs/dbraw/zinc/94/93/00/461949300.db2.gz GWSZNTUEOJVKON-UHFFFAOYSA-N 2 2 326.400 3.219 20 0 EGADLP FC(F)(F)c1cc[nH+]c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000664151015 461959941 /nfs/dbraw/zinc/95/99/41/461959941.db2.gz MJKWSOSFHZWGEU-UHFFFAOYSA-N 2 2 343.393 3.403 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)CCO2 ZINC000648071513 461968058 /nfs/dbraw/zinc/96/80/58/461968058.db2.gz GIBZPAQVWPKSFK-UHFFFAOYSA-N 2 2 346.368 3.141 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)CCO2 ZINC000648071513 461968063 /nfs/dbraw/zinc/96/80/63/461968063.db2.gz GIBZPAQVWPKSFK-UHFFFAOYSA-N 2 2 346.368 3.141 20 0 EGADLP O=C(CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1)Nc1ccccc1F ZINC000644529020 461972094 /nfs/dbraw/zinc/97/20/94/461972094.db2.gz FXEWBZCSRQKIDI-UHFFFAOYSA-N 2 2 340.402 3.253 20 0 EGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Cl)c1F ZINC000639551300 461985017 /nfs/dbraw/zinc/98/50/17/461985017.db2.gz LGSHHDPYXXWLEZ-UHFFFAOYSA-N 2 2 348.293 3.202 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C[C@@]3(C)c3ccccc3)c2cc1C ZINC000644574753 461992284 /nfs/dbraw/zinc/99/22/84/461992284.db2.gz DJGODMNFWNBDFA-COPCDDAFSA-N 2 2 349.478 3.334 20 0 EGADLP c1ccc2[nH+]c(CC3CC[NH+](Cc4nnc(C5CC5)o4)CC3)[nH]c2c1 ZINC000660854317 461996767 /nfs/dbraw/zinc/99/67/67/461996767.db2.gz UHUDSADBEBJQNQ-UHFFFAOYSA-N 2 2 337.427 3.278 20 0 EGADLP O[C@@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)CC(F)(F)F ZINC000660857620 461998342 /nfs/dbraw/zinc/99/83/42/461998342.db2.gz SZPLMTFMHBGRSI-CYBMUJFWSA-N 2 2 341.377 3.131 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC[NH2+]C2CC2)c1 ZINC000667222876 462001503 /nfs/dbraw/zinc/00/15/03/462001503.db2.gz ZGAOIDUWXIRJLS-UHFFFAOYSA-N 2 2 341.459 3.224 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccnn1CC1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000657299922 462027835 /nfs/dbraw/zinc/02/78/35/462027835.db2.gz CCGSUWSUJRJSAY-HXUWFJFHSA-N 2 2 338.499 3.220 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccnn1CC1CC1)[N@H+]1CCc2ccccc2C1 ZINC000657299922 462027846 /nfs/dbraw/zinc/02/78/46/462027846.db2.gz CCGSUWSUJRJSAY-HXUWFJFHSA-N 2 2 338.499 3.220 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657388175 462091646 /nfs/dbraw/zinc/09/16/46/462091646.db2.gz HCLFYYGGVFMULQ-FXAWDEMLSA-N 2 2 338.499 3.436 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccnn2CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000657388175 462091655 /nfs/dbraw/zinc/09/16/55/462091655.db2.gz HCLFYYGGVFMULQ-FXAWDEMLSA-N 2 2 338.499 3.436 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657399225 462098434 /nfs/dbraw/zinc/09/84/34/462098434.db2.gz QYVMQXIXOFOZMP-IRXDYDNUSA-N 3 2 338.499 3.076 20 0 EGADLP Oc1ccc(CCC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000667492560 462111615 /nfs/dbraw/zinc/11/16/15/462111615.db2.gz NAUYIOOPAUSSRK-UHFFFAOYSA-N 2 2 325.456 3.380 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC000657431409 462118075 /nfs/dbraw/zinc/11/80/75/462118075.db2.gz GRQNBZXPUSLABV-VAMGGRTRSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC000657431409 462118080 /nfs/dbraw/zinc/11/80/80/462118080.db2.gz GRQNBZXPUSLABV-VAMGGRTRSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC000657431409 462118085 /nfs/dbraw/zinc/11/80/85/462118085.db2.gz GRQNBZXPUSLABV-VAMGGRTRSA-N 2 2 338.499 3.417 20 0 EGADLP Cc1[nH]c(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]c1C ZINC000657431409 462118086 /nfs/dbraw/zinc/11/80/86/462118086.db2.gz GRQNBZXPUSLABV-VAMGGRTRSA-N 2 2 338.499 3.417 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000648451837 462124858 /nfs/dbraw/zinc/12/48/58/462124858.db2.gz OFHSUNPBNXGKPG-IRXDYDNUSA-N 2 2 326.550 3.285 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000657454591 462135076 /nfs/dbraw/zinc/13/50/76/462135076.db2.gz BCGKZYQOABLHHD-UHFFFAOYSA-N 2 2 336.867 3.154 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000657454591 462135081 /nfs/dbraw/zinc/13/50/81/462135081.db2.gz BCGKZYQOABLHHD-UHFFFAOYSA-N 2 2 336.867 3.154 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)n1C ZINC000657474669 462147031 /nfs/dbraw/zinc/14/70/31/462147031.db2.gz BOYZUDGNPHTALO-VIFPVBQESA-N 2 2 326.213 3.481 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NC[C@H](c3ccco3)[NH+]3CCCC3)c2c1C ZINC000645095923 462175583 /nfs/dbraw/zinc/17/55/83/462175583.db2.gz LSKPHUASWSZDCP-CQSZACIVSA-N 2 2 325.416 3.417 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)n1C ZINC000657601280 462201415 /nfs/dbraw/zinc/20/14/15/462201415.db2.gz IHBBZKJHIIRBFT-SFHVURJKSA-N 2 2 333.863 3.263 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667688329 462216168 /nfs/dbraw/zinc/21/61/68/462216168.db2.gz NPXAVAKZOFFJPG-QGZVFWFLSA-N 3 2 330.520 3.306 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667688329 462216171 /nfs/dbraw/zinc/21/61/71/462216171.db2.gz NPXAVAKZOFFJPG-QGZVFWFLSA-N 3 2 330.520 3.306 20 0 EGADLP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)CC1CC1 ZINC000657712847 462239861 /nfs/dbraw/zinc/23/98/61/462239861.db2.gz BBLBNIMZADJYMC-INIZCTEOSA-N 2 2 336.907 3.303 20 0 EGADLP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3cc(F)c(Cl)cc31)CCO2 ZINC000645386068 462308084 /nfs/dbraw/zinc/30/80/84/462308084.db2.gz YZFKTAZCGSNDDB-UHFFFAOYSA-N 2 2 349.837 3.328 20 0 EGADLP COC1([C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCC1 ZINC000657887155 462309067 /nfs/dbraw/zinc/30/90/67/462309067.db2.gz HOUKWJGQVLIAAS-MSOLQXFVSA-N 2 2 346.515 3.434 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651749772 462324591 /nfs/dbraw/zinc/32/45/91/462324591.db2.gz JRENOUNJTUOWQA-UHFFFAOYSA-N 2 2 326.488 3.453 20 0 EGADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000665237743 462363825 /nfs/dbraw/zinc/36/38/25/462363825.db2.gz IVADGBDSEGTSLQ-FUHWJXTLSA-N 2 2 326.440 3.287 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)c(Br)c1 ZINC000665248439 462367305 /nfs/dbraw/zinc/36/73/05/462367305.db2.gz WZCXSRVYTCVNHD-NSHDSACASA-N 2 2 327.266 3.380 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1O ZINC000665252270 462368675 /nfs/dbraw/zinc/36/86/75/462368675.db2.gz LNXDNCGRGQZHBA-BMGDILEWSA-N 2 2 326.440 3.197 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCCC[C@H]3[C@H](C)C[NH+](C)C)cc2[nH+]1 ZINC000640372283 462376764 /nfs/dbraw/zinc/37/67/64/462376764.db2.gz GUCZVTDHZLJJKO-PBHICJAKSA-N 2 2 343.475 3.227 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC3CCCCCC3)C2)CC1 ZINC000654775325 462379812 /nfs/dbraw/zinc/37/98/12/462379812.db2.gz JBIHOIINCWIYEQ-GOSISDBHSA-N 2 2 335.536 3.022 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC3CCCCCC3)C2)CC1 ZINC000654775325 462379819 /nfs/dbraw/zinc/37/98/19/462379819.db2.gz JBIHOIINCWIYEQ-GOSISDBHSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283680 462384773 /nfs/dbraw/zinc/38/47/73/462384773.db2.gz SBUNJYXJHOQERI-WBMJQRKESA-N 2 2 338.373 3.475 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000668084532 462413363 /nfs/dbraw/zinc/41/33/63/462413363.db2.gz NUNYOKUFAPEHSM-OXQOHEQNSA-N 2 2 342.439 3.149 20 0 EGADLP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000668084532 462413366 /nfs/dbraw/zinc/41/33/66/462413366.db2.gz NUNYOKUFAPEHSM-OXQOHEQNSA-N 2 2 342.439 3.149 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287541 462457183 /nfs/dbraw/zinc/45/71/83/462457183.db2.gz IZJGFHRXGMMGOM-MAUKXSAKSA-N 2 2 332.492 3.351 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000658287541 462457188 /nfs/dbraw/zinc/45/71/88/462457188.db2.gz IZJGFHRXGMMGOM-MAUKXSAKSA-N 2 2 332.492 3.351 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CCCCC[NH2+]1 ZINC000649277185 462465802 /nfs/dbraw/zinc/46/58/02/462465802.db2.gz KVNIQCLJNWBOAJ-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC000649301539 462472354 /nfs/dbraw/zinc/47/23/54/462472354.db2.gz YIQXKVMOXLJPPR-OALUTQOASA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC000649301539 462472362 /nfs/dbraw/zinc/47/23/62/462472362.db2.gz YIQXKVMOXLJPPR-OALUTQOASA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CCCCN3C(C)C)C2)c1 ZINC000649301539 462472367 /nfs/dbraw/zinc/47/23/67/462472367.db2.gz YIQXKVMOXLJPPR-OALUTQOASA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CCCCN3C(C)C)C2)c1 ZINC000649301539 462472372 /nfs/dbraw/zinc/47/23/72/462472372.db2.gz YIQXKVMOXLJPPR-OALUTQOASA-N 2 2 330.520 3.387 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@@H]1[NH3+] ZINC000649416474 462503516 /nfs/dbraw/zinc/50/35/16/462503516.db2.gz BIIAORVBBNWNHI-DYVFJYSZSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@@H]1[NH3+] ZINC000649416474 462503517 /nfs/dbraw/zinc/50/35/17/462503517.db2.gz BIIAORVBBNWNHI-DYVFJYSZSA-N 2 2 331.485 3.378 20 0 EGADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000174544008 527815484 /nfs/dbraw/zinc/81/54/84/527815484.db2.gz YCAAQAFNAIQLES-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000174544008 527815487 /nfs/dbraw/zinc/81/54/87/527815487.db2.gz YCAAQAFNAIQLES-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC1 ZINC000131219678 527924617 /nfs/dbraw/zinc/92/46/17/527924617.db2.gz NZMFQLWIIFBHSE-UHFFFAOYSA-N 2 2 340.471 3.478 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC1 ZINC000131219678 527924620 /nfs/dbraw/zinc/92/46/20/527924620.db2.gz NZMFQLWIIFBHSE-UHFFFAOYSA-N 2 2 340.471 3.478 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000132571371 528176981 /nfs/dbraw/zinc/17/69/81/528176981.db2.gz JQHGEITZGCPHKI-IBGZPJMESA-N 2 2 326.488 3.095 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000132571371 528176987 /nfs/dbraw/zinc/17/69/87/528176987.db2.gz JQHGEITZGCPHKI-IBGZPJMESA-N 2 2 326.488 3.095 20 0 EGADLP CC[NH+](CC)Cc1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000188348350 528190847 /nfs/dbraw/zinc/19/08/47/528190847.db2.gz MSLWRWNLYJXZBO-UHFFFAOYSA-N 2 2 336.439 3.357 20 0 EGADLP CC[N@@H+](Cc1c(C)nn(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391636 528755248 /nfs/dbraw/zinc/75/52/48/528755248.db2.gz LQJYRMFENPNLIT-UHFFFAOYSA-N 2 2 341.503 3.170 20 0 EGADLP CC[N@H+](Cc1c(C)nn(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391636 528755253 /nfs/dbraw/zinc/75/52/53/528755253.db2.gz LQJYRMFENPNLIT-UHFFFAOYSA-N 2 2 341.503 3.170 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000159297674 528989302 /nfs/dbraw/zinc/98/93/02/528989302.db2.gz IGVCGDQSHOXMNX-CYBMUJFWSA-N 2 2 347.894 3.364 20 0 EGADLP CC(C)[NH+]1CCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338149263 535192118 /nfs/dbraw/zinc/19/21/18/535192118.db2.gz ZJSDVQKYWRFHRQ-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@]4(CCCOC4)C3)sc2C1 ZINC000346187889 535252730 /nfs/dbraw/zinc/25/27/30/535252730.db2.gz BUYGFBDCSRHKLB-IBGZPJMESA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@]4(CCCOC4)C3)sc2C1 ZINC000346187889 535252735 /nfs/dbraw/zinc/25/27/35/535252735.db2.gz BUYGFBDCSRHKLB-IBGZPJMESA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@]4(CCCOC4)C3)sc2C1 ZINC000346187889 535252738 /nfs/dbraw/zinc/25/27/38/535252738.db2.gz BUYGFBDCSRHKLB-IBGZPJMESA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@]4(CCCOC4)C3)sc2C1 ZINC000346187889 535252739 /nfs/dbraw/zinc/25/27/39/535252739.db2.gz BUYGFBDCSRHKLB-IBGZPJMESA-N 2 2 349.544 3.302 20 0 EGADLP CC(C)CCOc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000353347453 535386683 /nfs/dbraw/zinc/38/66/83/535386683.db2.gz CQGZIJYJBQJGLY-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC(C)CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000353347453 535386687 /nfs/dbraw/zinc/38/66/87/535386687.db2.gz CQGZIJYJBQJGLY-UHFFFAOYSA-N 2 2 334.504 3.000 20 0 EGADLP CC[NH+](CC)CCC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000338362585 535507124 /nfs/dbraw/zinc/50/71/24/535507124.db2.gz QPXWMDZNWSEORT-UHFFFAOYSA-N 2 2 349.338 3.037 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000338362585 535507126 /nfs/dbraw/zinc/50/71/26/535507126.db2.gz QPXWMDZNWSEORT-UHFFFAOYSA-N 2 2 349.338 3.037 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(C(=O)OC)CCC1 ZINC000353345942 535915296 /nfs/dbraw/zinc/91/52/96/535915296.db2.gz MDTFXZNJOIPMAO-KRWDZBQOSA-N 2 2 345.418 3.223 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(-n2cc[nH+]c2)ncn1)c1ccc(Cl)cc1 ZINC000080677027 546599994 /nfs/dbraw/zinc/59/99/94/546599994.db2.gz QDJRZQKNBWJVRD-OAHLLOKOSA-N 2 2 342.834 3.031 20 0 EGADLP CCC(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000089134301 546642089 /nfs/dbraw/zinc/64/20/89/546642089.db2.gz FEXKBBYERQQYQI-IBGZPJMESA-N 2 2 331.504 3.060 20 0 EGADLP Cc1noc(C)c1CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185416 546654532 /nfs/dbraw/zinc/65/45/32/546654532.db2.gz BDRQRBGIXOXXHZ-GOSISDBHSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1noc(C)c1CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185416 546654538 /nfs/dbraw/zinc/65/45/38/546654538.db2.gz BDRQRBGIXOXXHZ-GOSISDBHSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000090403716 546656335 /nfs/dbraw/zinc/65/63/35/546656335.db2.gz KIQNULYFOONQPM-HNNXBMFYSA-N 2 2 344.528 3.050 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000119059527 546701336 /nfs/dbraw/zinc/70/13/36/546701336.db2.gz CLMWLYRTBNEINZ-LAUBAEHRSA-N 3 2 347.547 3.398 20 0 EGADLP CCc1ccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000119211938 546703483 /nfs/dbraw/zinc/70/34/83/546703483.db2.gz FHLUTVOTOWDCEQ-UHFFFAOYSA-N 2 2 344.422 3.428 20 0 EGADLP Cc1cccnc1[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000121935203 546730634 /nfs/dbraw/zinc/73/06/34/546730634.db2.gz SXPKOPWGTQOJRN-VQTJNVASSA-N 2 2 341.499 3.170 20 0 EGADLP Cc1cccnc1[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000121935203 546730638 /nfs/dbraw/zinc/73/06/38/546730638.db2.gz SXPKOPWGTQOJRN-VQTJNVASSA-N 2 2 341.499 3.170 20 0 EGADLP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000151120525 546851709 /nfs/dbraw/zinc/85/17/09/546851709.db2.gz HLOKKLNXCAJOPQ-INIZCTEOSA-N 2 2 349.438 3.323 20 0 EGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000194835915 547226089 /nfs/dbraw/zinc/22/60/89/547226089.db2.gz MPLGIXRHOFDTIU-VQIMIIECSA-N 2 2 332.488 3.019 20 0 EGADLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000194835915 547226091 /nfs/dbraw/zinc/22/60/91/547226091.db2.gz MPLGIXRHOFDTIU-VQIMIIECSA-N 2 2 332.488 3.019 20 0 EGADLP Brc1cscc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000285436943 547388498 /nfs/dbraw/zinc/38/84/98/547388498.db2.gz KZHHBXQLSWSQBL-UHFFFAOYSA-N 2 2 329.307 3.475 20 0 EGADLP CCc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)nc(C)[nH+]1 ZINC000310900691 547461236 /nfs/dbraw/zinc/46/12/36/547461236.db2.gz PBVMQUJXQKOSHN-OALUTQOASA-N 2 2 336.483 3.306 20 0 EGADLP CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc(C)[nH+]1 ZINC000310900691 547461240 /nfs/dbraw/zinc/46/12/40/547461240.db2.gz PBVMQUJXQKOSHN-OALUTQOASA-N 2 2 336.483 3.306 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000339068711 547568197 /nfs/dbraw/zinc/56/81/97/547568197.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC000339068711 547568203 /nfs/dbraw/zinc/56/82/03/547568203.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068711 547568206 /nfs/dbraw/zinc/56/82/06/547568206.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 3 2 327.516 3.256 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000339068711 547568209 /nfs/dbraw/zinc/56/82/09/547568209.db2.gz SVXRVTPEXGSAGL-AYWYSENESA-N 3 2 327.516 3.256 20 0 EGADLP Brc1cscc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000352816859 547687176 /nfs/dbraw/zinc/68/71/76/547687176.db2.gz MOEDZHNSNYUVTL-UHFFFAOYSA-N 2 2 336.258 3.491 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459457783 547943162 /nfs/dbraw/zinc/94/31/62/547943162.db2.gz PZKXTKVWNQWWQN-FCHUYYIVSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459457783 547943166 /nfs/dbraw/zinc/94/31/66/547943166.db2.gz PZKXTKVWNQWWQN-FCHUYYIVSA-N 2 2 336.479 3.289 20 0 EGADLP CC[N@@H+](Cc1ccoc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240825 548266387 /nfs/dbraw/zinc/26/63/87/548266387.db2.gz XOKRKMGKCMQFQC-FQEVSTJZSA-N 2 2 328.456 3.393 20 0 EGADLP CC[N@H+](Cc1ccoc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000671240825 548266393 /nfs/dbraw/zinc/26/63/93/548266393.db2.gz XOKRKMGKCMQFQC-FQEVSTJZSA-N 2 2 328.456 3.393 20 0 EGADLP CC[NH+](Cc1ccoc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671240825 548266398 /nfs/dbraw/zinc/26/63/98/548266398.db2.gz XOKRKMGKCMQFQC-FQEVSTJZSA-N 2 2 328.456 3.393 20 0 EGADLP CC[NH+](Cc1ccoc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671240825 548266401 /nfs/dbraw/zinc/26/64/01/548266401.db2.gz XOKRKMGKCMQFQC-FQEVSTJZSA-N 2 2 328.456 3.393 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000675514307 548932592 /nfs/dbraw/zinc/93/25/92/548932592.db2.gz CZVLILYZJDPDHO-FQEVSTJZSA-N 2 2 334.423 3.058 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](OCc4ccccn4)C3)cc2)c[nH+]1 ZINC000675514307 548932597 /nfs/dbraw/zinc/93/25/97/548932597.db2.gz CZVLILYZJDPDHO-FQEVSTJZSA-N 2 2 334.423 3.058 20 0 EGADLP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675882850 548996882 /nfs/dbraw/zinc/99/68/82/548996882.db2.gz UFDXRPZELJWOMK-SJLPKXTDSA-N 2 2 332.488 3.379 20 0 EGADLP FC(F)(F)c1ccc(-c2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000677374781 549260313 /nfs/dbraw/zinc/26/03/13/549260313.db2.gz DFVANEHIGNDYJT-CHWSQXEVSA-N 2 2 337.345 3.012 20 0 EGADLP Cc1[nH+]ccn1CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000677981264 549369007 /nfs/dbraw/zinc/36/90/07/549369007.db2.gz ZRDWGWVMSDYGDV-GHMZBOCLSA-N 2 2 329.288 3.254 20 0 EGADLP CCc1nc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000678217214 549427498 /nfs/dbraw/zinc/42/74/98/549427498.db2.gz XRSAVIHQVFKBRZ-UHFFFAOYSA-N 2 2 333.501 3.278 20 0 EGADLP CCc1nc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC000678217214 549427499 /nfs/dbraw/zinc/42/74/99/549427499.db2.gz XRSAVIHQVFKBRZ-UHFFFAOYSA-N 2 2 333.501 3.278 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783737 549561267 /nfs/dbraw/zinc/56/12/67/549561267.db2.gz QSJGGRNQALSEIJ-XLIONFOSSA-N 2 2 348.437 3.498 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(F)cc1F ZINC000678783737 549561271 /nfs/dbraw/zinc/56/12/71/549561271.db2.gz QSJGGRNQALSEIJ-XLIONFOSSA-N 2 2 348.437 3.498 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678992114 549612357 /nfs/dbraw/zinc/61/23/57/549612357.db2.gz BWCJAYOKTUCCNV-PBHICJAKSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678992114 549612359 /nfs/dbraw/zinc/61/23/59/549612359.db2.gz BWCJAYOKTUCCNV-PBHICJAKSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678992114 549612361 /nfs/dbraw/zinc/61/23/61/549612361.db2.gz BWCJAYOKTUCCNV-PBHICJAKSA-N 2 2 331.529 3.471 20 0 EGADLP C(c1nc2c(s1)CCCC2)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678992114 549612362 /nfs/dbraw/zinc/61/23/62/549612362.db2.gz BWCJAYOKTUCCNV-PBHICJAKSA-N 2 2 331.529 3.471 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679327389 549688870 /nfs/dbraw/zinc/68/88/70/549688870.db2.gz KFNUCJUJMQNOPI-HKUYNNGSSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327389 549688871 /nfs/dbraw/zinc/68/88/71/549688871.db2.gz KFNUCJUJMQNOPI-HKUYNNGSSA-N 2 2 326.488 3.464 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(O)cc2)CCOCC1)c1ccccc1 ZINC000679395047 549703543 /nfs/dbraw/zinc/70/35/43/549703543.db2.gz TUNPSQIPTAOMGY-KRWDZBQOSA-N 2 2 340.467 3.382 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545276 549731189 /nfs/dbraw/zinc/73/11/89/549731189.db2.gz JPILKUMZWNBZGA-OIISXLGYSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000679545276 549731192 /nfs/dbraw/zinc/73/11/92/549731192.db2.gz JPILKUMZWNBZGA-OIISXLGYSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679545276 549731194 /nfs/dbraw/zinc/73/11/94/549731194.db2.gz JPILKUMZWNBZGA-OIISXLGYSA-N 2 2 344.421 3.142 20 0 EGADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679545276 549731195 /nfs/dbraw/zinc/73/11/95/549731195.db2.gz JPILKUMZWNBZGA-OIISXLGYSA-N 2 2 344.421 3.142 20 0 EGADLP CC[C@@H](C)CCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680192331 549830289 /nfs/dbraw/zinc/83/02/89/549830289.db2.gz ULHZUTYYUWHECA-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CC[C@@H](C)CCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680192331 549830291 /nfs/dbraw/zinc/83/02/91/549830291.db2.gz ULHZUTYYUWHECA-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CO[C@@H](c1ccccc1)[C@@H](C)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000683819992 550265322 /nfs/dbraw/zinc/26/53/22/550265322.db2.gz OUYPUMXPEMSJAW-OXQOHEQNSA-N 2 2 340.471 3.022 20 0 EGADLP CCn1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1=O ZINC000683931377 550275519 /nfs/dbraw/zinc/27/55/19/550275519.db2.gz ZYGGKHJVNWZINE-LJQANCHMSA-N 2 2 339.483 3.011 20 0 EGADLP CCn1cccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1=O ZINC000683931377 550275520 /nfs/dbraw/zinc/27/55/20/550275520.db2.gz ZYGGKHJVNWZINE-LJQANCHMSA-N 2 2 339.483 3.011 20 0 EGADLP c1[nH+]c(C2CC[NH+](Cc3noc4c3CCCC4)CC2)n2c1CCCC2 ZINC000684006110 550282097 /nfs/dbraw/zinc/28/20/97/550282097.db2.gz ZTTXDZQFPFRCDA-UHFFFAOYSA-N 2 2 340.471 3.466 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000684112109 550292540 /nfs/dbraw/zinc/29/25/40/550292540.db2.gz JETLGDMWWUITME-UFYCRDLUSA-N 2 2 340.515 3.209 20 0 EGADLP Cc1cccn2cc(CC[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)[nH+]c12 ZINC000684114215 550293045 /nfs/dbraw/zinc/29/30/45/550293045.db2.gz SSVFZWSKAHUNDP-DLBZAZTESA-N 2 2 337.471 3.235 20 0 EGADLP Fc1ccc(/C=C\C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000685431350 550415823 /nfs/dbraw/zinc/41/58/23/550415823.db2.gz GCFIMSIEZXCBSL-MPXGXIRNSA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C\C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000685431350 550415826 /nfs/dbraw/zinc/41/58/26/550415826.db2.gz GCFIMSIEZXCBSL-MPXGXIRNSA-N 2 2 336.426 3.022 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000727465801 574669470 /nfs/dbraw/zinc/66/94/70/574669470.db2.gz KIDPVWZOGDMBDV-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000727465801 574669471 /nfs/dbraw/zinc/66/94/71/574669471.db2.gz KIDPVWZOGDMBDV-ZACQAIPSSA-N 2 2 339.524 3.096 20 0 EGADLP Cc1ccc2[nH+]c(CNc3cccc(C[NH+]4CCOCC4)c3)cn2c1 ZINC000341295201 574824955 /nfs/dbraw/zinc/82/49/55/574824955.db2.gz VVXDAUWWJFHSGG-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000729266538 574834755 /nfs/dbraw/zinc/83/47/55/574834755.db2.gz JQLAVMQQKIUQHA-QGZVFWFLSA-N 2 2 337.423 3.443 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2cc1C ZINC000729266538 574834756 /nfs/dbraw/zinc/83/47/56/574834756.db2.gz JQLAVMQQKIUQHA-QGZVFWFLSA-N 2 2 337.423 3.443 20 0 EGADLP O=C(CCCC[NH+]1CCCC1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000729327306 574839855 /nfs/dbraw/zinc/83/98/55/574839855.db2.gz AYDPTBOBZSHZRM-UHFFFAOYSA-N 2 2 330.407 3.216 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000733330035 575328809 /nfs/dbraw/zinc/32/88/09/575328809.db2.gz GXTIBFYZUDENMD-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000733330035 575328811 /nfs/dbraw/zinc/32/88/11/575328811.db2.gz GXTIBFYZUDENMD-SJORKVTESA-N 2 2 339.524 3.240 20 0 EGADLP C[NH+](C)CC1CC[NH+](Cn2nc(-c3ccccc3)oc2=S)CC1 ZINC000738075646 576285331 /nfs/dbraw/zinc/28/53/31/576285331.db2.gz GXRYBNRZDHUKKT-UHFFFAOYSA-N 2 2 332.473 3.104 20 0 EGADLP Cc1ncsc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000742378284 576776173 /nfs/dbraw/zinc/77/61/73/576776173.db2.gz PNJIBPCIUHBMJQ-UHFFFAOYSA-N 2 2 330.501 3.276 20 0 EGADLP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000693698133 1298151634 /nfs/dbraw/zinc/15/16/34/1298151634.db2.gz TWQRCQVVVYRPIK-AQNXPRMDSA-N 3 2 327.516 3.017 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)o1 ZINC000037156335 1291398969 /nfs/dbraw/zinc/39/89/69/1291398969.db2.gz DJAFLFFDDRQZCZ-GFCCVEGCSA-N 2 2 326.238 3.443 20 0 EGADLP CCOc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000069747715 1292249277 /nfs/dbraw/zinc/24/92/77/1292249277.db2.gz FHESCYLHNIRPGD-UHFFFAOYSA-N 2 2 340.467 3.207 20 0 EGADLP CCOc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OCC(C)C ZINC000075784368 1292411034 /nfs/dbraw/zinc/41/10/34/1292411034.db2.gz PZTSXNTUMKGCMB-INIZCTEOSA-N 2 2 331.460 3.495 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108429111 1293081378 /nfs/dbraw/zinc/08/13/78/1293081378.db2.gz MEDZDOHUTOKCNC-QGZVFWFLSA-N 2 2 346.906 3.325 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108429111 1293081385 /nfs/dbraw/zinc/08/13/85/1293081385.db2.gz MEDZDOHUTOKCNC-QGZVFWFLSA-N 2 2 346.906 3.325 20 0 EGADLP CC1CC[NH+](CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000121719035 1293385235 /nfs/dbraw/zinc/38/52/35/1293385235.db2.gz BUPQLDYPCMKCMS-UHFFFAOYSA-N 3 2 343.559 3.405 20 0 EGADLP Cc1nc(C)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000131064485 1293678195 /nfs/dbraw/zinc/67/81/95/1293678195.db2.gz UMXGJPUQUWDXHT-AWEZNQCLSA-N 2 2 330.501 3.470 20 0 EGADLP CCn1nc(C)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C ZINC000131107964 1293679218 /nfs/dbraw/zinc/67/92/18/1293679218.db2.gz RYCLOTSKAWNDIS-INIZCTEOSA-N 2 2 341.503 3.230 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000133514632 1293746387 /nfs/dbraw/zinc/74/63/87/1293746387.db2.gz SNROXAYPZUMGQM-QGZVFWFLSA-N 2 2 339.524 3.098 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000133514632 1293746394 /nfs/dbraw/zinc/74/63/94/1293746394.db2.gz SNROXAYPZUMGQM-QGZVFWFLSA-N 2 2 339.524 3.098 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000136173868 1293811015 /nfs/dbraw/zinc/81/10/15/1293811015.db2.gz NKUXYJAZKDCFLZ-ZDUSSCGKSA-N 2 2 326.843 3.070 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000162228602 1294310542 /nfs/dbraw/zinc/31/05/42/1294310542.db2.gz OXCXJQCEHNCHOZ-UHFFFAOYSA-N 2 2 334.357 3.045 20 0 EGADLP CC/C=C(\C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178876518 1294760908 /nfs/dbraw/zinc/76/09/08/1294760908.db2.gz BMYBFOAVESHSMS-ZMLPJBHDSA-N 2 2 335.536 3.138 20 0 EGADLP CC/C=C(\C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178876518 1294760916 /nfs/dbraw/zinc/76/09/16/1294760916.db2.gz BMYBFOAVESHSMS-ZMLPJBHDSA-N 2 2 335.536 3.138 20 0 EGADLP CC[N@@H+](Cc1ccc(F)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189379511 1295519393 /nfs/dbraw/zinc/51/93/93/1295519393.db2.gz ONLUXDKNPRASGD-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP CC[N@H+](Cc1ccc(F)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000189379511 1295519403 /nfs/dbraw/zinc/51/94/03/1295519403.db2.gz ONLUXDKNPRASGD-UHFFFAOYSA-N 2 2 328.435 3.354 20 0 EGADLP Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245922278 1296330909 /nfs/dbraw/zinc/33/09/09/1296330909.db2.gz SWMZMRNQJOOFRU-PKOBYXMFSA-N 2 2 327.472 3.025 20 0 EGADLP Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000245922278 1296330918 /nfs/dbraw/zinc/33/09/18/1296330918.db2.gz SWMZMRNQJOOFRU-PKOBYXMFSA-N 2 2 327.472 3.025 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147436 1296766026 /nfs/dbraw/zinc/76/60/26/1296766026.db2.gz ATFSVBYHTFSMRC-BXUZGUMPSA-N 2 2 343.324 3.050 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147436 1296766036 /nfs/dbraw/zinc/76/60/36/1296766036.db2.gz ATFSVBYHTFSMRC-BXUZGUMPSA-N 2 2 343.324 3.050 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000301515327 1296790021 /nfs/dbraw/zinc/79/00/21/1296790021.db2.gz OMWKQYJOHNEDHM-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000301515327 1296790036 /nfs/dbraw/zinc/79/00/36/1296790036.db2.gz OMWKQYJOHNEDHM-IXDOHACOSA-N 2 2 339.524 3.238 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000382629351 1297561835 /nfs/dbraw/zinc/56/18/35/1297561835.db2.gz NPBZDJJRUJKHML-BRWVUGGUSA-N 2 2 341.540 3.388 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000383761354 1297574547 /nfs/dbraw/zinc/57/45/47/1297574547.db2.gz DWDIVDSLTUTSPO-PBHICJAKSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000383761354 1297574558 /nfs/dbraw/zinc/57/45/58/1297574558.db2.gz DWDIVDSLTUTSPO-PBHICJAKSA-N 2 2 346.906 3.382 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444800273 1297859965 /nfs/dbraw/zinc/85/99/65/1297859965.db2.gz JAKSFNONBJBDAB-OLZOCXBDSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444800273 1297859976 /nfs/dbraw/zinc/85/99/76/1297859976.db2.gz JAKSFNONBJBDAB-OLZOCXBDSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793706 1297860398 /nfs/dbraw/zinc/86/03/98/1297860398.db2.gz QGJAQUTXBYCJQF-QWHCGFSZSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793706 1297860405 /nfs/dbraw/zinc/86/04/05/1297860405.db2.gz QGJAQUTXBYCJQF-QWHCGFSZSA-N 2 2 343.456 3.472 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000710371835 1298256457 /nfs/dbraw/zinc/25/64/57/1298256457.db2.gz APMHVNJXIOMKAA-XHSDSOJGSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000710371835 1298256463 /nfs/dbraw/zinc/25/64/63/1298256463.db2.gz APMHVNJXIOMKAA-XHSDSOJGSA-N 2 2 339.524 3.142 20 0 EGADLP CCc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000711726650 1298261760 /nfs/dbraw/zinc/26/17/60/1298261760.db2.gz RXELYGKKKSZBBR-JOCHJYFZSA-N 2 2 338.495 3.318 20 0 EGADLP CCc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000711726650 1298261772 /nfs/dbraw/zinc/26/17/72/1298261772.db2.gz RXELYGKKKSZBBR-JOCHJYFZSA-N 2 2 338.495 3.318 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000711726650 1298261782 /nfs/dbraw/zinc/26/17/82/1298261782.db2.gz RXELYGKKKSZBBR-JOCHJYFZSA-N 2 2 338.495 3.318 20 0 EGADLP CCc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000711726650 1298261794 /nfs/dbraw/zinc/26/17/94/1298261794.db2.gz RXELYGKKKSZBBR-JOCHJYFZSA-N 2 2 338.495 3.318 20 0 EGADLP Cc1nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000715534024 1298280163 /nfs/dbraw/zinc/28/01/63/1298280163.db2.gz UDGFQJQVBREFMR-RYUDHWBXSA-N 2 2 327.270 3.141 20 0 EGADLP c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c2c(c1)OCCO2 ZINC000747100715 1298727621 /nfs/dbraw/zinc/72/76/21/1298727621.db2.gz OVKCIQBKRXPAGN-UHFFFAOYSA-N 2 2 330.472 3.345 20 0 EGADLP CCCn1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000876791038 1298989953 /nfs/dbraw/zinc/98/99/53/1298989953.db2.gz HUWANWOJSDQJAJ-QGZVFWFLSA-N 2 2 333.524 3.165 20 0 EGADLP CCCn1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000876791038 1298989967 /nfs/dbraw/zinc/98/99/67/1298989967.db2.gz HUWANWOJSDQJAJ-QGZVFWFLSA-N 2 2 333.524 3.165 20 0 EGADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C12CCC2 ZINC000876930670 1299072658 /nfs/dbraw/zinc/07/26/58/1299072658.db2.gz ZFYYUMPEWGCNNE-DLBZAZTESA-N 2 2 331.504 3.478 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743338 1299522238 /nfs/dbraw/zinc/52/22/38/1299522238.db2.gz JUZDAGKPUQABFV-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743338 1299522242 /nfs/dbraw/zinc/52/22/42/1299522242.db2.gz JUZDAGKPUQABFV-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC(F)F ZINC000877743338 1299522246 /nfs/dbraw/zinc/52/22/46/1299522246.db2.gz JUZDAGKPUQABFV-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccc1OC(F)F ZINC000877743338 1299522249 /nfs/dbraw/zinc/52/22/49/1299522249.db2.gz JUZDAGKPUQABFV-CABCVRRESA-N 2 2 340.414 3.213 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C2 ZINC000756033768 1300429694 /nfs/dbraw/zinc/42/96/94/1300429694.db2.gz WTFAGZCPBKKWAE-LPHOPBHVSA-N 2 2 327.472 3.454 20 0 EGADLP CO[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)Cc1ccccc1 ZINC000880568841 1301164363 /nfs/dbraw/zinc/16/43/63/1301164363.db2.gz FAXPXJFNXOMFGS-LEWJYISDSA-N 2 2 335.451 3.472 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)c[nH+]1 ZINC000762612680 1301713272 /nfs/dbraw/zinc/71/32/72/1301713272.db2.gz HYMICIUYGQZNAX-IXDOHACOSA-N 2 2 331.510 3.342 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cnn(-c2ccccc2)c1 ZINC000764883970 1302158709 /nfs/dbraw/zinc/15/87/09/1302158709.db2.gz HOFMUTIRKODZKB-MRXNPFEDSA-N 2 2 335.455 3.298 20 0 EGADLP CC(C)n1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000766096031 1302388153 /nfs/dbraw/zinc/38/81/53/1302388153.db2.gz UWCXIDYHRXYWLX-UHFFFAOYSA-N 2 2 341.503 3.289 20 0 EGADLP C[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)OCCc2ccccc21 ZINC000883340164 1302398371 /nfs/dbraw/zinc/39/83/71/1302398371.db2.gz KWIKMLHXNPGTEP-OAQYLSRUSA-N 2 2 337.467 3.128 20 0 EGADLP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000766143068 1302400129 /nfs/dbraw/zinc/40/01/29/1302400129.db2.gz QJZZYIFODHQHHT-IBGZPJMESA-N 2 2 346.446 3.057 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273226 1302418807 /nfs/dbraw/zinc/41/88/07/1302418807.db2.gz OMNLIQFEPWPAPL-IAGOWNOFSA-N 2 2 342.487 3.134 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000766273226 1302418812 /nfs/dbraw/zinc/41/88/12/1302418812.db2.gz OMNLIQFEPWPAPL-IAGOWNOFSA-N 2 2 342.487 3.134 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883387137 1302426391 /nfs/dbraw/zinc/42/63/91/1302426391.db2.gz SCLUKZABQUXNLD-SFTDATJTSA-N 2 2 335.451 3.472 20 0 EGADLP c1cn(C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccccc2)c[nH+]1 ZINC000883397394 1302430107 /nfs/dbraw/zinc/43/01/07/1302430107.db2.gz LNOFIDNAUMRLTB-FQEVSTJZSA-N 2 2 347.466 3.409 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000769685748 1303157067 /nfs/dbraw/zinc/15/70/67/1303157067.db2.gz SXGBSMOKOVLVGR-PMPSAXMXSA-N 2 2 327.513 3.142 20 0 EGADLP CC1([NH+]2CCCC2)CCC(Nc2ccc(N3CCOCC3)c[nH+]2)CC1 ZINC000886566102 1303504893 /nfs/dbraw/zinc/50/48/93/1303504893.db2.gz ITYSRHDLMQGJLT-UHFFFAOYSA-N 2 2 344.503 3.127 20 0 EGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775377478 1303949829 /nfs/dbraw/zinc/94/98/29/1303949829.db2.gz CJMCXHVPUMFZGF-KMIMBKNBSA-N 2 2 328.591 3.322 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775377478 1303949830 /nfs/dbraw/zinc/94/98/30/1303949830.db2.gz CJMCXHVPUMFZGF-KMIMBKNBSA-N 2 2 328.591 3.322 20 0 EGADLP COc1cccc2c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc[nH+]c12 ZINC000780524221 1304705560 /nfs/dbraw/zinc/70/55/60/1304705560.db2.gz FOTCXIWZGVBDCC-INIZCTEOSA-N 2 2 341.455 3.299 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181435 1304926261 /nfs/dbraw/zinc/92/62/61/1304926261.db2.gz HXXAGXKCQSKMQU-HKUYNNGSSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181435 1304926267 /nfs/dbraw/zinc/92/62/67/1304926267.db2.gz HXXAGXKCQSKMQU-HKUYNNGSSA-N 2 2 333.907 3.039 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CCSC1 ZINC000782770223 1305010910 /nfs/dbraw/zinc/01/09/10/1305010910.db2.gz XYDXIDOSFSMPPM-RBUKOAKNSA-N 2 2 334.529 3.181 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823724 1305178970 /nfs/dbraw/zinc/17/89/70/1305178970.db2.gz ZZTPPGIPFJBWSH-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823724 1305178973 /nfs/dbraw/zinc/17/89/73/1305178973.db2.gz ZZTPPGIPFJBWSH-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823724 1305178977 /nfs/dbraw/zinc/17/89/77/1305178977.db2.gz ZZTPPGIPFJBWSH-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823724 1305178980 /nfs/dbraw/zinc/17/89/80/1305178980.db2.gz ZZTPPGIPFJBWSH-DLBZAZTESA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823726 1305179554 /nfs/dbraw/zinc/17/95/54/1305179554.db2.gz ZZTPPGIPFJBWSH-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823726 1305179560 /nfs/dbraw/zinc/17/95/60/1305179560.db2.gz ZZTPPGIPFJBWSH-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823726 1305179564 /nfs/dbraw/zinc/17/95/64/1305179564.db2.gz ZZTPPGIPFJBWSH-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000891823726 1305179570 /nfs/dbraw/zinc/17/95/70/1305179570.db2.gz ZZTPPGIPFJBWSH-IRXDYDNUSA-N 2 2 330.520 3.384 20 0 EGADLP COC(=O)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1C ZINC000892872980 1305588309 /nfs/dbraw/zinc/58/83/09/1305588309.db2.gz ZTMHJCHONPVYBR-UHFFFAOYSA-N 2 2 327.428 3.159 20 0 EGADLP COc1ccc(CC(N)=[NH+]OCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000786741942 1305621268 /nfs/dbraw/zinc/62/12/68/1305621268.db2.gz KVOIESQKCKHZRE-UHFFFAOYSA-N 2 2 345.418 3.007 20 0 EGADLP COc1ccc(CC(N)=[NH+]OCC[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000786741942 1305621280 /nfs/dbraw/zinc/62/12/80/1305621280.db2.gz KVOIESQKCKHZRE-UHFFFAOYSA-N 2 2 345.418 3.007 20 0 EGADLP CCC(CC)(C[NH2+]C1CCS(=O)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000892980650 1305637139 /nfs/dbraw/zinc/63/71/39/1305637139.db2.gz GBAUUQVRRWKMDP-CFHWWMOJSA-N 2 2 336.545 3.397 20 0 EGADLP CCc1onc(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000893203075 1305760690 /nfs/dbraw/zinc/76/06/90/1305760690.db2.gz SNDDJFAESZYSDY-HNNXBMFYSA-N 2 2 328.460 3.256 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000790497146 1306339000 /nfs/dbraw/zinc/33/90/00/1306339000.db2.gz KXZAVYXRTROHMS-ILXRZTDVSA-N 2 2 346.462 3.064 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000790497146 1306339010 /nfs/dbraw/zinc/33/90/10/1306339010.db2.gz KXZAVYXRTROHMS-ILXRZTDVSA-N 2 2 346.462 3.064 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790528174 1306344300 /nfs/dbraw/zinc/34/43/00/1306344300.db2.gz DLXYYWKZTZFWES-KRWDZBQOSA-N 2 2 346.906 3.405 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790528174 1306344305 /nfs/dbraw/zinc/34/43/05/1306344305.db2.gz DLXYYWKZTZFWES-KRWDZBQOSA-N 2 2 346.906 3.405 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000791392488 1308978438 /nfs/dbraw/zinc/97/84/38/1308978438.db2.gz RJRBZOJRTOMEMA-BBWFWOEESA-N 2 2 341.455 3.485 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000791392488 1308978445 /nfs/dbraw/zinc/97/84/45/1308978445.db2.gz RJRBZOJRTOMEMA-BBWFWOEESA-N 2 2 341.455 3.485 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621975 1308983545 /nfs/dbraw/zinc/98/35/45/1308983545.db2.gz DQCJCBPNKHAYCK-AWEZNQCLSA-N 2 2 333.423 3.166 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621975 1308983552 /nfs/dbraw/zinc/98/35/52/1308983552.db2.gz DQCJCBPNKHAYCK-AWEZNQCLSA-N 2 2 333.423 3.166 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621975 1308983556 /nfs/dbraw/zinc/98/35/56/1308983556.db2.gz DQCJCBPNKHAYCK-AWEZNQCLSA-N 2 2 333.423 3.166 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(CC(F)(F)F)s3)C2)C1 ZINC000894621975 1308983564 /nfs/dbraw/zinc/98/35/64/1308983564.db2.gz DQCJCBPNKHAYCK-AWEZNQCLSA-N 2 2 333.423 3.166 20 0 EGADLP COc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)c(F)cc1Br ZINC000895290972 1309272279 /nfs/dbraw/zinc/27/22/79/1309272279.db2.gz XJKVKMGSNIZIDJ-JTQLQIEISA-N 2 2 333.245 3.027 20 0 EGADLP CC1([NH+]2CCCC2)CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000895526983 1309384230 /nfs/dbraw/zinc/38/42/30/1309384230.db2.gz AQKJCUJXKCEQMQ-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP CC1([NH+]2CCCC2)CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000895526983 1309384238 /nfs/dbraw/zinc/38/42/38/1309384238.db2.gz AQKJCUJXKCEQMQ-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP CCCn1nccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792544 1309522723 /nfs/dbraw/zinc/52/27/23/1309522723.db2.gz MPAXUFUPSGMZNX-VQTJNVASSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1nccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792544 1309522730 /nfs/dbraw/zinc/52/27/30/1309522730.db2.gz MPAXUFUPSGMZNX-VQTJNVASSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1nccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792544 1309522736 /nfs/dbraw/zinc/52/27/36/1309522736.db2.gz MPAXUFUPSGMZNX-VQTJNVASSA-N 2 2 338.499 3.247 20 0 EGADLP CCCn1nccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895792544 1309522743 /nfs/dbraw/zinc/52/27/43/1309522743.db2.gz MPAXUFUPSGMZNX-VQTJNVASSA-N 2 2 338.499 3.247 20 0 EGADLP Cc1cn2cc(NC(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)ccc2[nH+]1 ZINC000896093939 1309696700 /nfs/dbraw/zinc/69/67/00/1309696700.db2.gz FIFIDTHVPFKEJH-HKUYNNGSSA-N 2 2 334.423 3.274 20 0 EGADLP Cc1cn2cc(NC(=O)[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)ccc2[nH+]1 ZINC000896093939 1309696703 /nfs/dbraw/zinc/69/67/03/1309696703.db2.gz FIFIDTHVPFKEJH-HKUYNNGSSA-N 2 2 334.423 3.274 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000897842063 1310489041 /nfs/dbraw/zinc/48/90/41/1310489041.db2.gz UGVQKLCQGPKTNI-KSSFIOAISA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@@H](C)C1 ZINC000897842063 1310489043 /nfs/dbraw/zinc/48/90/43/1310489043.db2.gz UGVQKLCQGPKTNI-KSSFIOAISA-N 2 2 329.444 3.170 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC000898032139 1310556057 /nfs/dbraw/zinc/55/60/57/1310556057.db2.gz XMKVWABICAOXCO-HOTGVXAUSA-N 2 2 339.524 3.001 20 0 EGADLP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC000898032139 1310556061 /nfs/dbraw/zinc/55/60/61/1310556061.db2.gz XMKVWABICAOXCO-HOTGVXAUSA-N 2 2 339.524 3.001 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001019040271 1317017516 /nfs/dbraw/zinc/01/75/16/1317017516.db2.gz RVPQHCLQODWUDC-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(-n2ccnn2)c1 ZINC000806136055 1317464596 /nfs/dbraw/zinc/46/45/96/1317464596.db2.gz ZGUDVJHVNQMZGB-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000957656935 1317527953 /nfs/dbraw/zinc/52/79/53/1317527953.db2.gz TZHGHFQANBFGFE-GOSISDBHSA-N 2 2 343.515 3.111 20 0 EGADLP CCNc1ccccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000902405388 1317574527 /nfs/dbraw/zinc/57/45/27/1317574527.db2.gz KUOIBYLMUSUKTJ-GOSISDBHSA-N 2 2 339.487 3.266 20 0 EGADLP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3Cc4ccccc4[C@H]3[NH3+])cc12 ZINC000902431584 1317577802 /nfs/dbraw/zinc/57/78/02/1317577802.db2.gz GAAHAZYLXRZYTL-UXEPBGEESA-N 2 2 326.469 3.219 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902484255 1317582505 /nfs/dbraw/zinc/58/25/05/1317582505.db2.gz VCDWDBVXYAYZRD-TZIWHRDSSA-N 2 2 339.483 3.496 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC000902481609 1317583131 /nfs/dbraw/zinc/58/31/31/1317583131.db2.gz FNPZUEZHEVTWJB-MAUKXSAKSA-N 2 2 332.492 3.399 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)nn1 ZINC000902750168 1317613022 /nfs/dbraw/zinc/61/30/22/1317613022.db2.gz BDQXCDKFMXDZQQ-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cn(C)nn1 ZINC000902750168 1317613025 /nfs/dbraw/zinc/61/30/25/1317613025.db2.gz BDQXCDKFMXDZQQ-BBWFWOEESA-N 2 2 341.503 3.144 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001020388986 1317675531 /nfs/dbraw/zinc/67/55/31/1317675531.db2.gz WLOFQNOJUSWYHD-QAQDUYKDSA-N 2 2 340.471 3.155 20 0 EGADLP Clc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884294 1317740115 /nfs/dbraw/zinc/74/01/15/1317740115.db2.gz WVJMZGFJLRDTJX-KSSFIOAISA-N 2 2 345.878 3.193 20 0 EGADLP Clc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884294 1317740120 /nfs/dbraw/zinc/74/01/20/1317740120.db2.gz WVJMZGFJLRDTJX-KSSFIOAISA-N 2 2 345.878 3.193 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000903897691 1317744633 /nfs/dbraw/zinc/74/46/33/1317744633.db2.gz INIVLNFBKQSKND-CABCVRRESA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000903897691 1317744636 /nfs/dbraw/zinc/74/46/36/1317744636.db2.gz INIVLNFBKQSKND-CABCVRRESA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@H](C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)CC(F)F ZINC000903924885 1317750804 /nfs/dbraw/zinc/75/08/04/1317750804.db2.gz JGXYFIAQGWXTIW-ZDUSSCGKSA-N 2 2 325.334 3.085 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)c(Cl)nc21 ZINC000858245169 1328721069 /nfs/dbraw/zinc/72/10/69/1328721069.db2.gz OKZFMQJSEXYVPY-CQSZACIVSA-N 2 2 349.910 3.487 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c(Cl)nc21 ZINC000858245169 1328721071 /nfs/dbraw/zinc/72/10/71/1328721071.db2.gz OKZFMQJSEXYVPY-CQSZACIVSA-N 2 2 349.910 3.487 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000904339184 1317833027 /nfs/dbraw/zinc/83/30/27/1317833027.db2.gz XXNLWIGWNYBTSG-MRXNPFEDSA-N 2 2 347.503 3.196 20 0 EGADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809594488 1317838905 /nfs/dbraw/zinc/83/89/05/1317838905.db2.gz XUZQEMBOJUZUAR-MRXNPFEDSA-N 2 2 344.528 3.435 20 0 EGADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809594488 1317838911 /nfs/dbraw/zinc/83/89/11/1317838911.db2.gz XUZQEMBOJUZUAR-MRXNPFEDSA-N 2 2 344.528 3.435 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603571 1318447877 /nfs/dbraw/zinc/44/78/77/1318447877.db2.gz QOHOKOOKDJJPFN-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603571 1318447880 /nfs/dbraw/zinc/44/78/80/1318447880.db2.gz QOHOKOOKDJJPFN-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603571 1318447884 /nfs/dbraw/zinc/44/78/84/1318447884.db2.gz QOHOKOOKDJJPFN-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603571 1318447887 /nfs/dbraw/zinc/44/78/87/1318447887.db2.gz QOHOKOOKDJJPFN-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](CO)C3CCCCC3)CC2)cc1 ZINC000812836095 1318468167 /nfs/dbraw/zinc/46/81/67/1318468167.db2.gz MYAXXXJPCPAFJX-NRFANRHFSA-N 2 2 345.531 3.252 20 0 EGADLP C[N@H+](C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC000960598429 1318725467 /nfs/dbraw/zinc/72/54/67/1318725467.db2.gz VDUCKEYVUVESSN-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1)CC1CCCCCC1 ZINC000960598429 1318725474 /nfs/dbraw/zinc/72/54/74/1318725474.db2.gz VDUCKEYVUVESSN-SFHVURJKSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCC2)c(C)[nH+]1 ZINC000960764239 1318861441 /nfs/dbraw/zinc/86/14/41/1318861441.db2.gz RPWPVISCDZYDBL-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)c(C)[nH+]1 ZINC000960764239 1318861452 /nfs/dbraw/zinc/86/14/52/1318861452.db2.gz RPWPVISCDZYDBL-GOSISDBHSA-N 2 2 329.488 3.343 20 0 EGADLP Cc1cn2cc(NC(=O)NC3CCC(C)([NH+]4CCC4)CC3)ccc2[nH+]1 ZINC000930137945 1328795544 /nfs/dbraw/zinc/79/55/44/1328795544.db2.gz MLRURGRHKCUPGY-UHFFFAOYSA-N 2 2 341.459 3.171 20 0 EGADLP O=C(N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1)c1cccc2[nH+]ccn21 ZINC001022423796 1318935894 /nfs/dbraw/zinc/93/58/94/1318935894.db2.gz IQOZAIWUNWGHAQ-CALCHBBNSA-N 2 2 338.455 3.075 20 0 EGADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1SC(C)(C)C ZINC000815570002 1319017673 /nfs/dbraw/zinc/01/76/73/1319017673.db2.gz NSISUKDHRQZAIL-HNNXBMFYSA-N 2 2 349.544 3.002 20 0 EGADLP c1csc([C@H]([NH2+]C2CCC([NH+]3CCCCC3)CC2)c2nnc[nH]2)c1 ZINC000815586263 1319022744 /nfs/dbraw/zinc/02/27/44/1319022744.db2.gz DCGVTEKCMHDLQS-DQPZFDDXSA-N 2 2 345.516 3.342 20 0 EGADLP O[C@@H](C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000913395948 1319025764 /nfs/dbraw/zinc/02/57/64/1319025764.db2.gz YSOMTALOQQALFG-QGZVFWFLSA-N 2 2 342.405 3.127 20 0 EGADLP O[C@@H](C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)C[NH+]1CCCC1 ZINC000913395948 1319025773 /nfs/dbraw/zinc/02/57/73/1319025773.db2.gz YSOMTALOQQALFG-QGZVFWFLSA-N 2 2 342.405 3.127 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901043 1319040343 /nfs/dbraw/zinc/04/03/43/1319040343.db2.gz LZRYPLKFZNHZCD-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901043 1319040354 /nfs/dbraw/zinc/04/03/54/1319040354.db2.gz LZRYPLKFZNHZCD-IEBWSBKVSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)c1ccc2ccccc2c1 ZINC001023160963 1319301183 /nfs/dbraw/zinc/30/11/83/1319301183.db2.gz ILWLOQOVHKGTCP-YSGRDPCXSA-N 2 2 348.450 3.034 20 0 EGADLP CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187529 1319302394 /nfs/dbraw/zinc/30/23/94/1319302394.db2.gz LOXQWZZLRKDAIR-HOTGVXAUSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187529 1319302400 /nfs/dbraw/zinc/30/24/00/1319302400.db2.gz LOXQWZZLRKDAIR-HOTGVXAUSA-N 2 2 340.471 3.147 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2cnc(C)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000817915914 1319460696 /nfs/dbraw/zinc/46/06/96/1319460696.db2.gz RMUFJJOBBQAVLO-MSOLQXFVSA-N 2 2 331.485 3.086 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000818174239 1319509581 /nfs/dbraw/zinc/50/95/81/1319509581.db2.gz LOBXYURIZXAQDH-HNNXBMFYSA-N 2 2 338.467 3.471 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000818174239 1319509590 /nfs/dbraw/zinc/50/95/90/1319509590.db2.gz LOBXYURIZXAQDH-HNNXBMFYSA-N 2 2 338.467 3.471 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccccc2N2CCCCC2)C[C@@H](C)O1 ZINC000818340391 1319529349 /nfs/dbraw/zinc/52/93/49/1319529349.db2.gz LTLMYXJZCNENST-RTBURBONSA-N 2 2 345.531 3.266 20 0 EGADLP CC(C)Oc1cccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000818965030 1319595439 /nfs/dbraw/zinc/59/54/39/1319595439.db2.gz ODJRBMZNJBDTDC-FQEVSTJZSA-N 2 2 342.483 3.056 20 0 EGADLP CC(C)Oc1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000818965030 1319595447 /nfs/dbraw/zinc/59/54/47/1319595447.db2.gz ODJRBMZNJBDTDC-FQEVSTJZSA-N 2 2 342.483 3.056 20 0 EGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(-n2cnnc2)c1 ZINC000820808742 1319957436 /nfs/dbraw/zinc/95/74/36/1319957436.db2.gz MMIDDTQAESKMQK-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCCc2c1ccc(=O)n2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000820813153 1319959308 /nfs/dbraw/zinc/95/93/08/1319959308.db2.gz ZNKCEULIJPXMJI-BEFAXECRSA-N 2 2 348.450 3.299 20 0 EGADLP C[C@@H]1C[C@@H](C[NH2+]CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824235456 1320241322 /nfs/dbraw/zinc/24/13/22/1320241322.db2.gz AVSIKPISZXRJLU-CVEARBPZSA-N 2 2 339.524 3.096 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC[C@@H]3CCOC3)CC2)cc1 ZINC000825144898 1320314499 /nfs/dbraw/zinc/31/44/99/1320314499.db2.gz SJTRKGMUHAJGPX-QGZVFWFLSA-N 2 2 331.504 3.128 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841100498 1321217891 /nfs/dbraw/zinc/21/78/91/1321217891.db2.gz FAJLIPVXTYPKIN-PBHICJAKSA-N 2 2 346.906 3.310 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841100498 1321217894 /nfs/dbraw/zinc/21/78/94/1321217894.db2.gz FAJLIPVXTYPKIN-PBHICJAKSA-N 2 2 346.906 3.310 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(Br)cnc1Cl)C[NH+]1CCCC1 ZINC000842669868 1321415696 /nfs/dbraw/zinc/41/56/96/1321415696.db2.gz DYWRWWVGDCBNNM-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053253 1321461859 /nfs/dbraw/zinc/46/18/59/1321461859.db2.gz ZWAQFPDBAAZBJJ-STQMWFEESA-N 2 2 335.883 3.225 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c(Cl)nc21 ZINC000843053253 1321461863 /nfs/dbraw/zinc/46/18/63/1321461863.db2.gz ZWAQFPDBAAZBJJ-STQMWFEESA-N 2 2 335.883 3.225 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053095 1321461916 /nfs/dbraw/zinc/46/19/16/1321461916.db2.gz WXXBVGOSNWKQGC-SJLPKXTDSA-N 2 2 346.906 3.452 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053095 1321461919 /nfs/dbraw/zinc/46/19/19/1321461919.db2.gz WXXBVGOSNWKQGC-SJLPKXTDSA-N 2 2 346.906 3.452 20 0 EGADLP CC[C@H]1C[N@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053852 1321462747 /nfs/dbraw/zinc/46/27/47/1321462747.db2.gz USZDFNSESSLIQF-WMLDXEAASA-N 2 2 332.879 3.393 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccccc3)c2Cl)CC[C@H]1[NH3+] ZINC000843053852 1321462749 /nfs/dbraw/zinc/46/27/49/1321462749.db2.gz USZDFNSESSLIQF-WMLDXEAASA-N 2 2 332.879 3.393 20 0 EGADLP CCc1cc2oc(=O)cc(C[NH2+][C@](C)(C[NH3+])C(C)C)c2cc1Cl ZINC000843356481 1321504698 /nfs/dbraw/zinc/50/46/98/1321504698.db2.gz RQOVXNWEBOIQJM-GOSISDBHSA-N 2 2 336.863 3.472 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000843353683 1321505532 /nfs/dbraw/zinc/50/55/32/1321505532.db2.gz MTGDXFYXAGWAQI-JYJNAYRXSA-N 2 2 331.504 3.370 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000843353683 1321505535 /nfs/dbraw/zinc/50/55/35/1321505535.db2.gz MTGDXFYXAGWAQI-JYJNAYRXSA-N 2 2 331.504 3.370 20 0 EGADLP C[C@H](CC(=O)OCC1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000845451488 1321708712 /nfs/dbraw/zinc/70/87/12/1321708712.db2.gz ZRDBOJXKGKXHCA-QGZVFWFLSA-N 2 2 341.455 3.290 20 0 EGADLP C[C@@H](CC(=O)OCC1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000845451487 1321708869 /nfs/dbraw/zinc/70/88/69/1321708869.db2.gz ZRDBOJXKGKXHCA-KRWDZBQOSA-N 2 2 341.455 3.290 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834822 1321814947 /nfs/dbraw/zinc/81/49/47/1321814947.db2.gz FYJGCHVIJJQKQB-GDBMZVCRSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)c1 ZINC000846834822 1321814952 /nfs/dbraw/zinc/81/49/52/1321814952.db2.gz FYJGCHVIJJQKQB-GDBMZVCRSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000849070131 1322066587 /nfs/dbraw/zinc/06/65/87/1322066587.db2.gz JWAXPCFZKNSZFV-OAHLLOKOSA-N 2 2 342.512 3.117 20 0 EGADLP Cc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000849070131 1322066593 /nfs/dbraw/zinc/06/65/93/1322066593.db2.gz JWAXPCFZKNSZFV-OAHLLOKOSA-N 2 2 342.512 3.117 20 0 EGADLP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000849100037 1322078330 /nfs/dbraw/zinc/07/83/30/1322078330.db2.gz PVZHQLCITPXBBN-CYBMUJFWSA-N 2 2 328.464 3.136 20 0 EGADLP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000850157316 1322201325 /nfs/dbraw/zinc/20/13/25/1322201325.db2.gz PQLUAXNHOPCDGU-YJBOKZPZSA-N 2 2 331.485 3.324 20 0 EGADLP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000850157316 1322201331 /nfs/dbraw/zinc/20/13/31/1322201331.db2.gz PQLUAXNHOPCDGU-YJBOKZPZSA-N 2 2 331.485 3.324 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2cnccc2o1 ZINC000850432849 1322247632 /nfs/dbraw/zinc/24/76/32/1322247632.db2.gz CHVVXFGMRVQFHS-PBHICJAKSA-N 2 2 329.444 3.122 20 0 EGADLP Fc1cc(C[NH2+]Cc2cnn(C3CCC3)c2)ccc1-n1cc[nH+]c1 ZINC000921590156 1322359103 /nfs/dbraw/zinc/35/91/03/1322359103.db2.gz QJGJNDRXZDQKJL-UHFFFAOYSA-N 2 2 325.391 3.223 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000922805203 1322621843 /nfs/dbraw/zinc/62/18/43/1322621843.db2.gz JVVYEGHGRGHWKA-HNNXBMFYSA-N 2 2 334.426 3.485 20 0 EGADLP O[C@@H](C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428986 1322750759 /nfs/dbraw/zinc/75/07/59/1322750759.db2.gz VNJOWCUUJRTYBI-DLBZAZTESA-N 2 2 342.405 3.204 20 0 EGADLP O[C@@H](C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)c1ccccc1C(F)(F)F ZINC000923428986 1322750762 /nfs/dbraw/zinc/75/07/62/1322750762.db2.gz VNJOWCUUJRTYBI-DLBZAZTESA-N 2 2 342.405 3.204 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000931136753 1329057940 /nfs/dbraw/zinc/05/79/40/1329057940.db2.gz RWNUKJXUIOTOKJ-FMKPAKJESA-N 2 2 326.444 3.040 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(Br)n2)CC1 ZINC000924577648 1323060602 /nfs/dbraw/zinc/06/06/02/1323060602.db2.gz LLCXQARZEAIQFK-GFCCVEGCSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000924648385 1323091336 /nfs/dbraw/zinc/09/13/36/1323091336.db2.gz JXPWNJYCLYAVKG-XSLAUPDRSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000924648385 1323091342 /nfs/dbraw/zinc/09/13/42/1323091342.db2.gz JXPWNJYCLYAVKG-XSLAUPDRSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnnn1-c1ccccc1 ZINC000924728492 1323136520 /nfs/dbraw/zinc/13/65/20/1323136520.db2.gz GNILVMLVPZNHSZ-MAUKXSAKSA-N 2 2 338.459 3.229 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000852108868 1323149230 /nfs/dbraw/zinc/14/92/30/1323149230.db2.gz OOMOWIRPWVMMAI-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1cc2oc(=O)cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000852108868 1323149232 /nfs/dbraw/zinc/14/92/32/1323149232.db2.gz OOMOWIRPWVMMAI-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000852108868 1323149235 /nfs/dbraw/zinc/14/92/35/1323149235.db2.gz OOMOWIRPWVMMAI-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000852108868 1323149239 /nfs/dbraw/zinc/14/92/39/1323149239.db2.gz OOMOWIRPWVMMAI-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)on1 ZINC000924874926 1323195296 /nfs/dbraw/zinc/19/52/96/1323195296.db2.gz VGTIAJCEBBKEJF-KGLIPLIRSA-N 2 2 335.473 3.308 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)on1 ZINC000924874926 1323195307 /nfs/dbraw/zinc/19/53/07/1323195307.db2.gz VGTIAJCEBBKEJF-KGLIPLIRSA-N 2 2 335.473 3.308 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024492448 1323443225 /nfs/dbraw/zinc/44/32/25/1323443225.db2.gz MNEGRQHFRIVKSE-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024492448 1323443231 /nfs/dbraw/zinc/44/32/31/1323443231.db2.gz MNEGRQHFRIVKSE-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024492448 1323443234 /nfs/dbraw/zinc/44/32/34/1323443234.db2.gz MNEGRQHFRIVKSE-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1CCC1CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024492448 1323443242 /nfs/dbraw/zinc/44/32/42/1323443242.db2.gz MNEGRQHFRIVKSE-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510532 1323456733 /nfs/dbraw/zinc/45/67/33/1323456733.db2.gz PORFXYWDGRGXBA-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510532 1323456740 /nfs/dbraw/zinc/45/67/40/1323456740.db2.gz PORFXYWDGRGXBA-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510161 1323458284 /nfs/dbraw/zinc/45/82/84/1323458284.db2.gz FRRWRFRWXWHTKH-MRXNPFEDSA-N 2 2 326.444 3.113 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510161 1323458287 /nfs/dbraw/zinc/45/82/87/1323458287.db2.gz FRRWRFRWXWHTKH-MRXNPFEDSA-N 2 2 326.444 3.113 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001024946315 1323795365 /nfs/dbraw/zinc/79/53/65/1323795365.db2.gz HLGVBWUGZOVZNW-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233183 1324020850 /nfs/dbraw/zinc/02/08/50/1324020850.db2.gz VGVNRXRNRKDEJC-QZTJIDSGSA-N 2 2 340.471 3.122 20 0 EGADLP CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001025233183 1324020854 /nfs/dbraw/zinc/02/08/54/1324020854.db2.gz VGVNRXRNRKDEJC-QZTJIDSGSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(C)C)[C@H]3C2)c(C)[nH+]1 ZINC001026318356 1324721957 /nfs/dbraw/zinc/72/19/57/1324721957.db2.gz WOSRBTLMYBNFBF-BZSNNMDCSA-N 2 2 329.488 3.103 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320792 1325106947 /nfs/dbraw/zinc/10/69/47/1325106947.db2.gz BGYTWCMCMYNKSC-ZWKOTPCHSA-N 2 2 346.519 3.040 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000963320792 1325106955 /nfs/dbraw/zinc/10/69/55/1325106955.db2.gz BGYTWCMCMYNKSC-ZWKOTPCHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)C3CCC([NH2+]CC(C)C)CC3)ccn12 ZINC000963326725 1325109910 /nfs/dbraw/zinc/10/99/10/1325109910.db2.gz FLHXBQUWMSLZST-UHFFFAOYSA-N 2 2 342.487 3.272 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cnnn1-c1ccccc1 ZINC000925308610 1325119820 /nfs/dbraw/zinc/11/98/20/1325119820.db2.gz SAZCHBSQTAVCPP-HNNXBMFYSA-N 2 2 327.476 3.181 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368238 1325174396 /nfs/dbraw/zinc/17/43/96/1325174396.db2.gz VAPIJSCMAGOEJA-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368238 1325174402 /nfs/dbraw/zinc/17/44/02/1325174402.db2.gz VAPIJSCMAGOEJA-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387976 1325188488 /nfs/dbraw/zinc/18/84/88/1325188488.db2.gz XKSNCNFSVYKBAD-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000963387976 1325188492 /nfs/dbraw/zinc/18/84/92/1325188492.db2.gz XKSNCNFSVYKBAD-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000925561212 1325208946 /nfs/dbraw/zinc/20/89/46/1325208946.db2.gz PZFXPSITASWYMI-KUHUBIRLSA-N 2 2 341.430 3.308 20 0 EGADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000925592405 1325224398 /nfs/dbraw/zinc/22/43/98/1325224398.db2.gz GILUFFCGIMMVOM-FQEVSTJZSA-N 2 2 334.467 3.315 20 0 EGADLP Cn1c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)nc2cccc(Cl)c21 ZINC000925641713 1325243412 /nfs/dbraw/zinc/24/34/12/1325243412.db2.gz CSSCBLVXVNZHHZ-GDBMZVCRSA-N 2 2 346.906 3.485 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cc2c(s1)CCCC2 ZINC000925795831 1325304410 /nfs/dbraw/zinc/30/44/10/1325304410.db2.gz KSFZMZNXXDIIPR-GOEBONIOSA-N 2 2 334.529 3.436 20 0 EGADLP CN(C(=O)Cn1cc[nH+]c1)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000964463245 1325536943 /nfs/dbraw/zinc/53/69/43/1325536943.db2.gz IZONGQCZTWLKCI-UHFFFAOYSA-N 2 2 346.519 3.213 20 0 EGADLP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001027435723 1327675314 /nfs/dbraw/zinc/67/53/14/1327675314.db2.gz JPOVNPQMNKZJEX-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001027435723 1327675324 /nfs/dbraw/zinc/67/53/24/1327675324.db2.gz JPOVNPQMNKZJEX-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001027435723 1327675333 /nfs/dbraw/zinc/67/53/33/1327675333.db2.gz JPOVNPQMNKZJEX-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001027435723 1327675343 /nfs/dbraw/zinc/67/53/43/1327675343.db2.gz JPOVNPQMNKZJEX-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514179 1327784039 /nfs/dbraw/zinc/78/40/39/1327784039.db2.gz DOOFBGFDIOWXNB-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514179 1327784053 /nfs/dbraw/zinc/78/40/53/1327784053.db2.gz DOOFBGFDIOWXNB-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970783 1328443823 /nfs/dbraw/zinc/44/38/23/1328443823.db2.gz QSGPRTCBKCELTP-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027970783 1328443827 /nfs/dbraw/zinc/44/38/27/1328443827.db2.gz QSGPRTCBKCELTP-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CN(C)c1ccc(F)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000865410568 1329693203 /nfs/dbraw/zinc/69/32/03/1329693203.db2.gz ZOFACBACQWTFBT-UHFFFAOYSA-N 2 2 338.430 3.426 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865568036 1329714551 /nfs/dbraw/zinc/71/45/51/1329714551.db2.gz XNBONJUBPKQHIZ-SFHVURJKSA-N 2 2 339.487 3.257 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865568036 1329714552 /nfs/dbraw/zinc/71/45/52/1329714552.db2.gz XNBONJUBPKQHIZ-SFHVURJKSA-N 2 2 339.487 3.257 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(NCc3ccccc3)nc[nH+]2)C1 ZINC000865568036 1329714554 /nfs/dbraw/zinc/71/45/54/1329714554.db2.gz XNBONJUBPKQHIZ-SFHVURJKSA-N 2 2 339.487 3.257 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(NCc3ccccc3)nc[nH+]2)C1 ZINC000865568036 1329714557 /nfs/dbraw/zinc/71/45/57/1329714557.db2.gz XNBONJUBPKQHIZ-SFHVURJKSA-N 2 2 339.487 3.257 20 0 EGADLP CCn1c[nH+]c2c1CCN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000933256287 1329875211 /nfs/dbraw/zinc/87/52/11/1329875211.db2.gz ZPIXFAQWWAFKIN-UHFFFAOYSA-N 2 2 338.499 3.447 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271527 1330088704 /nfs/dbraw/zinc/08/87/04/1330088704.db2.gz MYCMZKSDKMOMJM-NHCUHLMSSA-N 2 2 339.483 3.005 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000866271527 1330088706 /nfs/dbraw/zinc/08/87/06/1330088706.db2.gz MYCMZKSDKMOMJM-NHCUHLMSSA-N 2 2 339.483 3.005 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]4[NH2+]CC[C@H]43)CCC2)c1 ZINC000866723937 1330144612 /nfs/dbraw/zinc/14/46/12/1330144612.db2.gz HQMGABAIIRMXIB-WOJBJXKFSA-N 2 2 344.499 3.208 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CCC[C@H]4[NH2+]CC[C@H]43)CCC2)c1 ZINC000866723937 1330144614 /nfs/dbraw/zinc/14/46/14/1330144614.db2.gz HQMGABAIIRMXIB-WOJBJXKFSA-N 2 2 344.499 3.208 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315409 1333085893 /nfs/dbraw/zinc/08/58/93/1333085893.db2.gz SNAMPJGOINGJBL-QAPCUYQASA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000947315409 1333085897 /nfs/dbraw/zinc/08/58/97/1333085897.db2.gz SNAMPJGOINGJBL-QAPCUYQASA-N 2 2 340.471 3.192 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450436 1333132447 /nfs/dbraw/zinc/13/24/47/1333132447.db2.gz ULQQGXHWLMTDQV-GOEBONIOSA-N 2 2 326.444 3.112 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC000947450436 1333132451 /nfs/dbraw/zinc/13/24/51/1333132451.db2.gz ULQQGXHWLMTDQV-GOEBONIOSA-N 2 2 326.444 3.112 20 0 EGADLP C[C@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616317 1333598312 /nfs/dbraw/zinc/59/83/12/1333598312.db2.gz HPYHPTGERKAYCI-HOTGVXAUSA-N 2 2 346.450 3.009 20 0 EGADLP C[C@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000948616317 1333598317 /nfs/dbraw/zinc/59/83/17/1333598317.db2.gz HPYHPTGERKAYCI-HOTGVXAUSA-N 2 2 346.450 3.009 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CC2CCCCC2)C1 ZINC000950628519 1334098779 /nfs/dbraw/zinc/09/87/79/1334098779.db2.gz ZPBMZKPMGMTYFS-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000950961935 1334161493 /nfs/dbraw/zinc/16/14/93/1334161493.db2.gz HOLYXXPLQCXWAS-MJGOQNOKSA-N 2 2 340.471 3.130 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001006292373 1336484706 /nfs/dbraw/zinc/48/47/06/1336484706.db2.gz NMUFJIBOMXKSQS-UHFFFAOYSA-N 2 2 346.519 3.190 20 0 EGADLP [NH3+][C@@H]1CCCC[N@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205939992 1370919352 /nfs/dbraw/zinc/91/93/52/1370919352.db2.gz YBWKMGJHTQJTJR-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+][C@@H]1CCCC[N@@H+](Cc2cccc3cc(Br)cnc32)C1 ZINC001205939992 1370919356 /nfs/dbraw/zinc/91/93/56/1370919356.db2.gz YBWKMGJHTQJTJR-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009074684 1336964070 /nfs/dbraw/zinc/96/40/70/1336964070.db2.gz NYWFWDUKUCPUNH-SFHVURJKSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009074684 1336964073 /nfs/dbraw/zinc/96/40/73/1336964073.db2.gz NYWFWDUKUCPUNH-SFHVURJKSA-N 2 2 338.455 3.033 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072827 1336964122 /nfs/dbraw/zinc/96/41/22/1336964122.db2.gz KAHGRWDRSMVDLD-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072827 1336964123 /nfs/dbraw/zinc/96/41/23/1336964123.db2.gz KAHGRWDRSMVDLD-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001029091530 1340928377 /nfs/dbraw/zinc/92/83/77/1340928377.db2.gz LMWBPTVFMGTSKK-MRXNPFEDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001029177418 1340949778 /nfs/dbraw/zinc/94/97/78/1340949778.db2.gz WQVOFFOUUQXKAE-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029970188 1341138880 /nfs/dbraw/zinc/13/88/80/1341138880.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001029970188 1341138882 /nfs/dbraw/zinc/13/88/82/1341138882.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029970188 1341138884 /nfs/dbraw/zinc/13/88/84/1341138884.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001029970188 1341138885 /nfs/dbraw/zinc/13/88/85/1341138885.db2.gz OSYZAIHFSJFQQA-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030533092 1341195286 /nfs/dbraw/zinc/19/52/86/1341195286.db2.gz DUEOKOAOQQHOIJ-TVPLGVNVSA-N 2 2 349.563 3.124 20 0 EGADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCC(C(C)(C)C)CC2)C1 ZINC001030533092 1341195287 /nfs/dbraw/zinc/19/52/87/1341195287.db2.gz DUEOKOAOQQHOIJ-TVPLGVNVSA-N 2 2 349.563 3.124 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001030891746 1341244666 /nfs/dbraw/zinc/24/46/66/1341244666.db2.gz MQJNNXNAAVYNOM-MRXNPFEDSA-N 2 2 343.515 3.013 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC001031050651 1341270035 /nfs/dbraw/zinc/27/00/35/1341270035.db2.gz SEHZHPHMBPLAIP-FXAWDEMLSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC001031050651 1341270037 /nfs/dbraw/zinc/27/00/37/1341270037.db2.gz SEHZHPHMBPLAIP-FXAWDEMLSA-N 2 2 343.515 3.119 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033163762 1341741794 /nfs/dbraw/zinc/74/17/94/1341741794.db2.gz RVMZOZNGFWLBPJ-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001033163762 1341741795 /nfs/dbraw/zinc/74/17/95/1341741795.db2.gz RVMZOZNGFWLBPJ-KZNAEPCWSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001033163762 1341741796 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GMEFRWPDFLTOBG-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001034671550 1342682141 /nfs/dbraw/zinc/68/21/41/1342682141.db2.gz REBHVWCMLBOIBX-UNUDIURISA-N 2 2 340.471 3.240 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)c1cccc2[nH+]ccn21 ZINC001034689192 1342693215 /nfs/dbraw/zinc/69/32/15/1342693215.db2.gz MQHSCZPHMZGZEH-QAQDUYKDSA-N 2 2 340.471 3.155 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCc3ccc(C[NH2+]CC4CC4)cc3)ccn12 ZINC001034816013 1342780395 /nfs/dbraw/zinc/78/03/95/1342780395.db2.gz IJRUMSQLFRKMIC-UHFFFAOYSA-N 2 2 348.450 3.072 20 0 EGADLP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035734532 1343160783 /nfs/dbraw/zinc/16/07/83/1343160783.db2.gz VFUSLBRASVLYJU-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036543677 1343546801 /nfs/dbraw/zinc/54/68/01/1343546801.db2.gz VQIMAYPZOOIADB-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869309 1343805960 /nfs/dbraw/zinc/80/59/60/1343805960.db2.gz AUSKEOSABZTPDH-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036869309 1343805964 /nfs/dbraw/zinc/80/59/64/1343805964.db2.gz AUSKEOSABZTPDH-IRXDYDNUSA-N 2 2 346.519 3.046 20 0 EGADLP O=C(N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029701 1343937503 /nfs/dbraw/zinc/93/75/03/1343937503.db2.gz CWROFRXZZLJIOV-RDJZCZTQSA-N 2 2 340.471 3.241 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001037247015 1344066760 /nfs/dbraw/zinc/06/67/60/1344066760.db2.gz ZUNYCPQXKSVUER-MSOLQXFVSA-N 2 2 346.519 3.187 20 0 EGADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC1CCCCCC1 ZINC001037941105 1344193744 /nfs/dbraw/zinc/19/37/44/1344193744.db2.gz CXCSKCWVUCXGMC-QZTJIDSGSA-N 2 2 346.519 3.139 20 0 EGADLP CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039145658 1344827624 /nfs/dbraw/zinc/82/76/24/1344827624.db2.gz DYLMURSGPSIEBS-GOSISDBHSA-N 2 2 329.488 3.201 20 0 EGADLP CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3c(C)cc(C)[nH+]c3C)CC2)C1 ZINC001039145658 1344827629 /nfs/dbraw/zinc/82/76/29/1344827629.db2.gz DYLMURSGPSIEBS-GOSISDBHSA-N 2 2 329.488 3.201 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208640 1344921503 /nfs/dbraw/zinc/92/15/03/1344921503.db2.gz FUJIJIKRIUEZKJ-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001039208640 1344921516 /nfs/dbraw/zinc/92/15/16/1344921516.db2.gz FUJIJIKRIUEZKJ-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208640 1344921519 /nfs/dbraw/zinc/92/15/19/1344921519.db2.gz FUJIJIKRIUEZKJ-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001039208640 1344921521 /nfs/dbraw/zinc/92/15/21/1344921521.db2.gz FUJIJIKRIUEZKJ-IEBWSBKVSA-N 2 2 344.503 3.012 20 0 EGADLP CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214339 1344930123 /nfs/dbraw/zinc/93/01/23/1344930123.db2.gz RYSJDFMXYJWBBX-KXBFYZLASA-N 2 2 340.471 3.290 20 0 EGADLP CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214339 1344930126 /nfs/dbraw/zinc/93/01/26/1344930126.db2.gz RYSJDFMXYJWBBX-KXBFYZLASA-N 2 2 340.471 3.290 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236529 1344957869 /nfs/dbraw/zinc/95/78/69/1344957869.db2.gz DEWWWOYUGWFRNP-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039236529 1344957872 /nfs/dbraw/zinc/95/78/72/1344957872.db2.gz DEWWWOYUGWFRNP-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001039290739 1344999412 /nfs/dbraw/zinc/99/94/12/1344999412.db2.gz MNEFDPILQPEHLF-JLYLLQBASA-N 2 2 338.455 3.008 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001039935718 1345250313 /nfs/dbraw/zinc/25/03/13/1345250313.db2.gz KJFDIDYSJCFSQL-OKZBNKHCSA-N 2 2 346.519 3.336 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C)n1cc[nH+]c1 ZINC001039935718 1345250314 /nfs/dbraw/zinc/25/03/14/1345250314.db2.gz KJFDIDYSJCFSQL-OKZBNKHCSA-N 2 2 346.519 3.336 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235542 1345388505 /nfs/dbraw/zinc/38/85/05/1345388505.db2.gz CVFPUAJPLHOCJH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001040235542 1345388506 /nfs/dbraw/zinc/38/85/06/1345388506.db2.gz CVFPUAJPLHOCJH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235542 1345388508 /nfs/dbraw/zinc/38/85/08/1345388508.db2.gz CVFPUAJPLHOCJH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001040235542 1345388509 /nfs/dbraw/zinc/38/85/09/1345388509.db2.gz CVFPUAJPLHOCJH-HXUWFJFHSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)C[NH+]1CCC2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001040747777 1345573934 /nfs/dbraw/zinc/57/39/34/1345573934.db2.gz VXZBVJCAWUZTLK-UHFFFAOYSA-N 2 2 340.471 3.147 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)CC1 ZINC001040772549 1345577448 /nfs/dbraw/zinc/57/74/48/1345577448.db2.gz FHLPPLCROMWMJP-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717143 1345829915 /nfs/dbraw/zinc/82/99/15/1345829915.db2.gz KZJAQUMGNQIRTA-XLIONFOSSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001041717143 1345829916 /nfs/dbraw/zinc/82/99/16/1345829916.db2.gz KZJAQUMGNQIRTA-XLIONFOSSA-N 2 2 346.519 3.195 20 0 EGADLP Cc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001043232607 1346155712 /nfs/dbraw/zinc/15/57/12/1346155712.db2.gz MQRKSLMEKACYRB-INIZCTEOSA-N 2 2 348.450 3.160 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCC4CC4)C[C@@H]3C)ccn12 ZINC001044604098 1346380539 /nfs/dbraw/zinc/38/05/39/1346380539.db2.gz GTPPDYAKPFKZLZ-KSSFIOAISA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001045856295 1346722520 /nfs/dbraw/zinc/72/25/20/1346722520.db2.gz GOJXYZOFRQAAEL-UHOSZYNNSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)n1cc[nH+]c1 ZINC001045856295 1346722522 /nfs/dbraw/zinc/72/25/22/1346722522.db2.gz GOJXYZOFRQAAEL-UHOSZYNNSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045862304 1346724674 /nfs/dbraw/zinc/72/46/74/1346724674.db2.gz ZCFXNVFEAHTAFR-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045862304 1346724677 /nfs/dbraw/zinc/72/46/77/1346724677.db2.gz ZCFXNVFEAHTAFR-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001045862304 1346724678 /nfs/dbraw/zinc/72/46/78/1346724678.db2.gz ZCFXNVFEAHTAFR-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001045862304 1346724680 /nfs/dbraw/zinc/72/46/80/1346724680.db2.gz ZCFXNVFEAHTAFR-NXHRZFHOSA-N 2 2 346.519 3.090 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973434 1346809131 /nfs/dbraw/zinc/80/91/31/1346809131.db2.gz PVXXQNVWBXLCJY-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973434 1346809132 /nfs/dbraw/zinc/80/91/32/1346809132.db2.gz PVXXQNVWBXLCJY-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973434 1346809134 /nfs/dbraw/zinc/80/91/34/1346809134.db2.gz PVXXQNVWBXLCJY-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973434 1346809136 /nfs/dbraw/zinc/80/91/36/1346809136.db2.gz PVXXQNVWBXLCJY-YLJYHZDGSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973431 1346809245 /nfs/dbraw/zinc/80/92/45/1346809245.db2.gz PVXXQNVWBXLCJY-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001045973431 1346809250 /nfs/dbraw/zinc/80/92/50/1346809250.db2.gz PVXXQNVWBXLCJY-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973431 1346809251 /nfs/dbraw/zinc/80/92/51/1346809251.db2.gz PVXXQNVWBXLCJY-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001045973431 1346809254 /nfs/dbraw/zinc/80/92/54/1346809254.db2.gz PVXXQNVWBXLCJY-FXAWDEMLSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001046413733 1346966925 /nfs/dbraw/zinc/96/69/25/1346966925.db2.gz APRWMYRIYOGSTP-OAQYLSRUSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001046413733 1346966927 /nfs/dbraw/zinc/96/69/27/1346966927.db2.gz APRWMYRIYOGSTP-OAQYLSRUSA-N 2 2 348.450 3.266 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CCC2CCCC2)C1 ZINC001046415100 1346967493 /nfs/dbraw/zinc/96/74/93/1346967493.db2.gz MCZOFELLCIKSOY-HXUWFJFHSA-N 2 2 340.471 3.337 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CCC2CCCC2)C1 ZINC001046415100 1346967495 /nfs/dbraw/zinc/96/74/95/1346967495.db2.gz MCZOFELLCIKSOY-HXUWFJFHSA-N 2 2 340.471 3.337 20 0 EGADLP 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ZINC001052970729 1348780881 /nfs/dbraw/zinc/78/08/81/1348780881.db2.gz WIUVOJQNSJJKRI-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098013 1348929573 /nfs/dbraw/zinc/92/95/73/1348929573.db2.gz JDTNNFXAGRKGTD-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053098013 1348929576 /nfs/dbraw/zinc/92/95/76/1348929576.db2.gz JDTNNFXAGRKGTD-IEBWSBKVSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205163 1349207205 /nfs/dbraw/zinc/20/72/05/1349207205.db2.gz LVYSJWLPTUIVGJ-AZUAARDMSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205163 1349207208 /nfs/dbraw/zinc/20/72/08/1349207208.db2.gz LVYSJWLPTUIVGJ-AZUAARDMSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001054228596 1349222351 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QGNAJJMQLXTQJW-GDBMZVCRSA-N 2 2 328.460 3.192 20 0 EGADLP CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071953622 1355039042 /nfs/dbraw/zinc/03/90/42/1355039042.db2.gz BZASAECKRHKOHV-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1C ZINC001071953622 1355039044 /nfs/dbraw/zinc/03/90/44/1355039044.db2.gz BZASAECKRHKOHV-WMZOPIPTSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH2+]CC1CCC1 ZINC001072307051 1355231278 /nfs/dbraw/zinc/23/12/78/1355231278.db2.gz YMGIKIVUOBSJME-WMLDXEAASA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074073474 1356069135 /nfs/dbraw/zinc/06/91/35/1356069135.db2.gz ZLZUSWGELWRVHT-QFBILLFUSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074073474 1356069136 /nfs/dbraw/zinc/06/91/36/1356069136.db2.gz ZLZUSWGELWRVHT-QFBILLFUSA-N 2 2 340.471 3.026 20 0 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ZINC001183496581 1387313256 /nfs/dbraw/zinc/31/32/56/1387313256.db2.gz NVYHOAFCELLWQC-QZTJIDSGSA-N 2 2 346.519 3.097 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001084972197 1358357997 /nfs/dbraw/zinc/35/79/97/1358357997.db2.gz RFPQKNRNKCSMDR-CLCXKQKWSA-N 2 2 340.471 3.145 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001084972197 1358357998 /nfs/dbraw/zinc/35/79/98/1358357998.db2.gz RFPQKNRNKCSMDR-CLCXKQKWSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746947 1358728051 /nfs/dbraw/zinc/72/80/51/1358728051.db2.gz UOUUVHRTZINNFE-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746947 1358728054 /nfs/dbraw/zinc/72/80/54/1358728054.db2.gz UOUUVHRTZINNFE-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001086147674 1359009036 /nfs/dbraw/zinc/00/90/36/1359009036.db2.gz VAOILJDQEFVXOW-XYJFISCASA-N 2 2 348.450 3.194 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001184272445 1387421815 /nfs/dbraw/zinc/42/18/15/1387421815.db2.gz FYDYKCPZQWIMJZ-WIJVFFIESA-N 2 2 346.519 3.163 20 0 EGADLP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001088413325 1359884371 /nfs/dbraw/zinc/88/43/71/1359884371.db2.gz CWUSJSYWPQHRHO-JCYILVPMSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001088433817 1359902168 /nfs/dbraw/zinc/90/21/68/1359902168.db2.gz GXOLAJHCCWVDJW-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)cc1 ZINC001088662926 1360005503 /nfs/dbraw/zinc/00/55/03/1360005503.db2.gz HQNRINLSTCDLDE-QAPCUYQASA-N 2 2 348.450 3.264 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C)cc1 ZINC001088662926 1360005505 /nfs/dbraw/zinc/00/55/05/1360005505.db2.gz HQNRINLSTCDLDE-QAPCUYQASA-N 2 2 348.450 3.264 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089246738 1360279957 /nfs/dbraw/zinc/27/99/57/1360279957.db2.gz PXUMTCCLFAURFK-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089246738 1360279959 /nfs/dbraw/zinc/27/99/59/1360279959.db2.gz PXUMTCCLFAURFK-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089246735 1360280433 /nfs/dbraw/zinc/28/04/33/1360280433.db2.gz PXUMTCCLFAURFK-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089246735 1360280436 /nfs/dbraw/zinc/28/04/36/1360280436.db2.gz PXUMTCCLFAURFK-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184650947 1387503219 /nfs/dbraw/zinc/50/32/19/1387503219.db2.gz BGYIQDFAJQGBRU-CVEARBPZSA-N 2 2 342.487 3.441 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](C[NH2+]CCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001184653450 1387503433 /nfs/dbraw/zinc/50/34/33/1387503433.db2.gz RJJRPLCKMHSWOS-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001184651964 1387503697 /nfs/dbraw/zinc/50/36/97/1387503697.db2.gz JLEOZCWXOCMUET-HZPDHXFCSA-N 2 2 340.471 3.217 20 0 EGADLP CC(C)[NH2+][C@H](C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098820324 1363481780 /nfs/dbraw/zinc/48/17/80/1363481780.db2.gz HZMKINJETCXUIB-QFBILLFUSA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250940 1363713873 /nfs/dbraw/zinc/71/38/73/1363713873.db2.gz DEJZQKNETLBKRS-IAGOWNOFSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099250940 1363713876 /nfs/dbraw/zinc/71/38/76/1363713876.db2.gz DEJZQKNETLBKRS-IAGOWNOFSA-N 2 2 334.508 3.097 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099364182 1363774453 /nfs/dbraw/zinc/77/44/53/1363774453.db2.gz INUZBPSMWFJKLE-DKFQHHCZSA-N 2 2 346.519 3.236 20 0 EGADLP CCC/C=C/CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099364182 1363774456 /nfs/dbraw/zinc/77/44/56/1363774456.db2.gz INUZBPSMWFJKLE-DKFQHHCZSA-N 2 2 346.519 3.236 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290188 1365475809 /nfs/dbraw/zinc/47/58/09/1365475809.db2.gz CHUYBJRKKNCGOO-CQQBRXBZSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001103290188 1365475810 /nfs/dbraw/zinc/47/58/10/1365475810.db2.gz CHUYBJRKKNCGOO-CQQBRXBZSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185572206 1387753419 /nfs/dbraw/zinc/75/34/19/1387753419.db2.gz IBVUHOOXTDEGIY-RTQGNFRKSA-N 2 2 346.519 3.081 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001104315095 1365979619 /nfs/dbraw/zinc/97/96/19/1365979619.db2.gz LBJSUTWBGINXAH-BRSBDYLESA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001104315095 1365979621 /nfs/dbraw/zinc/97/96/21/1365979621.db2.gz LBJSUTWBGINXAH-BRSBDYLESA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001104435801 1366028156 /nfs/dbraw/zinc/02/81/56/1366028156.db2.gz HCFRCTVDUGQQFW-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2(C)CC[NH+](CCCF)CC2)c(C)[nH+]1 ZINC001324876746 1387800922 /nfs/dbraw/zinc/80/09/22/1387800922.db2.gz RJBYJLJLIGAFMP-UHFFFAOYSA-N 2 2 335.467 3.198 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107075660 1366870893 /nfs/dbraw/zinc/87/08/93/1366870893.db2.gz AMWAWYYUHXIESX-CQQBRXBZSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001109385871 1367099141 /nfs/dbraw/zinc/09/91/41/1367099141.db2.gz AFRCAHBQEZZGFO-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001109385871 1367099145 /nfs/dbraw/zinc/09/91/45/1367099145.db2.gz AFRCAHBQEZZGFO-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001109385871 1367099147 /nfs/dbraw/zinc/09/91/47/1367099147.db2.gz AFRCAHBQEZZGFO-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001109385871 1367099155 /nfs/dbraw/zinc/09/91/55/1367099155.db2.gz AFRCAHBQEZZGFO-QYZOEREBSA-N 2 2 344.503 3.034 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935733 1367385251 /nfs/dbraw/zinc/38/52/51/1367385251.db2.gz VHTMOABYKMFYHT-RDJZCZTQSA-N 2 2 342.487 3.391 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190935733 1367385255 /nfs/dbraw/zinc/38/52/55/1367385255.db2.gz VHTMOABYKMFYHT-RDJZCZTQSA-N 2 2 342.487 3.391 20 0 EGADLP C[N@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933012 1367385684 /nfs/dbraw/zinc/38/56/84/1367385684.db2.gz FALXGOPJPDDDQG-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CCCC1CCC1)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933012 1367385692 /nfs/dbraw/zinc/38/56/92/1367385692.db2.gz FALXGOPJPDDDQG-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108700314 1367541337 /nfs/dbraw/zinc/54/13/37/1367541337.db2.gz XTADSSPEEIAUTJ-JQHSSLGASA-N 2 2 346.519 3.138 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108700314 1367541341 /nfs/dbraw/zinc/54/13/41/1367541341.db2.gz XTADSSPEEIAUTJ-JQHSSLGASA-N 2 2 346.519 3.138 20 0 EGADLP COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001191798758 1367592153 /nfs/dbraw/zinc/59/21/53/1367592153.db2.gz AJJVCECHJWAIBZ-LJQANCHMSA-N 2 2 330.472 3.200 20 0 EGADLP COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001191798758 1367592157 /nfs/dbraw/zinc/59/21/57/1367592157.db2.gz AJJVCECHJWAIBZ-LJQANCHMSA-N 2 2 330.472 3.200 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799027 1367603383 /nfs/dbraw/zinc/60/33/83/1367603383.db2.gz KGCVPYRXPOFERA-BBWFWOEESA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@H](CNC(=O)c1cccc(-c2c[nH+]cn2C)c1)CC(C)(C)CC[NH3+] ZINC001194918559 1368347412 /nfs/dbraw/zinc/34/74/12/1368347412.db2.gz ZBTGVFQMAKDNKJ-OAHLLOKOSA-N 2 2 342.487 3.218 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287596 1368584777 /nfs/dbraw/zinc/58/47/77/1368584777.db2.gz GSTTYJWCJFLHQY-PLNGDYQASA-N 2 2 340.471 3.457 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001196287596 1368584778 /nfs/dbraw/zinc/58/47/78/1368584778.db2.gz GSTTYJWCJFLHQY-PLNGDYQASA-N 2 2 340.471 3.457 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021436 1368623379 /nfs/dbraw/zinc/62/33/79/1368623379.db2.gz NJLYJXPDHUZICF-ICSRJNTNSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001112021436 1368623384 /nfs/dbraw/zinc/62/33/84/1368623384.db2.gz NJLYJXPDHUZICF-ICSRJNTNSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[NH+](CC2CC(C)(C)C2)CC1)n1cc[nH+]c1 ZINC001112991202 1369126003 /nfs/dbraw/zinc/12/60/03/1369126003.db2.gz GPSMRMCOTZMXPB-GOSISDBHSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001112995003 1369127844 /nfs/dbraw/zinc/12/78/44/1369127844.db2.gz OEOVJTDWPDYBJR-QGZVFWFLSA-N 2 2 334.508 3.051 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001200705127 1369416969 /nfs/dbraw/zinc/41/69/69/1369416969.db2.gz ZPTFOCKFFHAFRA-FPOVZHCZSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001200705127 1369416976 /nfs/dbraw/zinc/41/69/76/1369416976.db2.gz ZPTFOCKFFHAFRA-FPOVZHCZSA-N 2 2 342.458 3.107 20 0 EGADLP CC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201183052 1369492330 /nfs/dbraw/zinc/49/23/30/1369492330.db2.gz SBNXYVBQBUYWOT-ZMBJWTFHSA-N 2 2 346.519 3.407 20 0 EGADLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CC(C)(C)C)CC[C@@H]3C2)cs1 ZINC001201436374 1369545446 /nfs/dbraw/zinc/54/54/46/1369545446.db2.gz VVYBHGSPUGZRIQ-NVXWUHKLSA-N 2 2 337.533 3.020 20 0 EGADLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CC(C)(C)C)CC[C@@H]3C2)cs1 ZINC001201436374 1369545447 /nfs/dbraw/zinc/54/54/47/1369545447.db2.gz VVYBHGSPUGZRIQ-NVXWUHKLSA-N 2 2 337.533 3.020 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CC(C)(C)C)CC[C@@H]3C2)cs1 ZINC001201436374 1369545452 /nfs/dbraw/zinc/54/54/52/1369545452.db2.gz VVYBHGSPUGZRIQ-NVXWUHKLSA-N 2 2 337.533 3.020 20 0 EGADLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CC(C)(C)C)CC[C@@H]3C2)cs1 ZINC001201436374 1369545454 /nfs/dbraw/zinc/54/54/54/1369545454.db2.gz VVYBHGSPUGZRIQ-NVXWUHKLSA-N 2 2 337.533 3.020 20 0 EGADLP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203080135 1369976121 /nfs/dbraw/zinc/97/61/21/1369976121.db2.gz SBFVOALVHGRRIB-ROUUACIJSA-N 2 2 340.471 3.240 20 0 EGADLP CCc1[nH]c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(C)[nH+]1 ZINC001203246174 1370038159 /nfs/dbraw/zinc/03/81/59/1370038159.db2.gz DTGRCVLDYWRRES-UHFFFAOYSA-N 3 2 338.499 3.379 20 0 EGADLP CCc1[nH]c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC001203247100 1370038898 /nfs/dbraw/zinc/03/88/98/1370038898.db2.gz RIBGJLBAMOEQHF-OAQYLSRUSA-N 2 2 338.499 3.379 20 0 EGADLP CCc1[nH]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC001203247100 1370038901 /nfs/dbraw/zinc/03/89/01/1370038901.db2.gz RIBGJLBAMOEQHF-OAQYLSRUSA-N 2 2 338.499 3.379 20 0 EGADLP COc1ccc2c(Nc3cccnc3N3CC[NH+](C)CC3)cc[nH+]c2c1 ZINC001203520782 1370152776 /nfs/dbraw/zinc/15/27/76/1370152776.db2.gz WYNODVYBWLSLBK-UHFFFAOYSA-N 2 2 349.438 3.134 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC001203724259 1370235759 /nfs/dbraw/zinc/23/57/59/1370235759.db2.gz DJPCQVBBVWRZRS-HXUWFJFHSA-N 2 2 346.515 3.387 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC001203724259 1370235763 /nfs/dbraw/zinc/23/57/63/1370235763.db2.gz DJPCQVBBVWRZRS-HXUWFJFHSA-N 2 2 346.515 3.387 20 0 EGADLP COc1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001204113201 1370380557 /nfs/dbraw/zinc/38/05/57/1370380557.db2.gz WLPVSJOEHOJHTI-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP COc1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)ccc1O ZINC001204113201 1370380563 /nfs/dbraw/zinc/38/05/63/1370380563.db2.gz WLPVSJOEHOJHTI-IYBDPMFKSA-N 2 2 344.480 3.026 20 0 EGADLP CSc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204138121 1370387192 /nfs/dbraw/zinc/38/71/92/1370387192.db2.gz CZYGPPHQCWYPJP-OALUTQOASA-N 2 2 339.508 3.367 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001204171100 1370397851 /nfs/dbraw/zinc/39/78/51/1370397851.db2.gz HQUGTXMSVPACHL-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001204171100 1370397856 /nfs/dbraw/zinc/39/78/56/1370397856.db2.gz HQUGTXMSVPACHL-UHFFFAOYSA-N 2 2 338.499 3.359 20 0 EGADLP COCC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001204482142 1370488107 /nfs/dbraw/zinc/48/81/07/1370488107.db2.gz SVCKLYFDLVYILN-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP COCC[N@@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001204482142 1370488113 /nfs/dbraw/zinc/48/81/13/1370488113.db2.gz SVCKLYFDLVYILN-UHFFFAOYSA-N 2 2 348.384 3.387 20 0 EGADLP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(Br)c3ccccc23)CCO1 ZINC001204756932 1370569193 /nfs/dbraw/zinc/56/91/93/1370569193.db2.gz UKMDZGFIGIOWCI-CQSZACIVSA-N 2 2 349.272 3.152 20 0 EGADLP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(Br)c3ccccc23)CCO1 ZINC001204756932 1370569199 /nfs/dbraw/zinc/56/91/99/1370569199.db2.gz UKMDZGFIGIOWCI-CQSZACIVSA-N 2 2 349.272 3.152 20 0 EGADLP c1c(C[NH+]2CCC(CCCc3ccccc3)CC2)nc2n1CC[NH2+]C2 ZINC001204885385 1370597008 /nfs/dbraw/zinc/59/70/08/1370597008.db2.gz SBVGQPUTRUHSPQ-UHFFFAOYSA-N 2 2 338.499 3.221 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001115604572 1370603842 /nfs/dbraw/zinc/60/38/42/1370603842.db2.gz JPFPRJWYGCJJHM-QGZVFWFLSA-N 2 2 346.519 3.044 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001205018896 1370630943 /nfs/dbraw/zinc/63/09/43/1370630943.db2.gz ZWGONSLMIYDGFS-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C)c(Br)cc2C)C1 ZINC001205018896 1370630946 /nfs/dbraw/zinc/63/09/46/1370630946.db2.gz ZWGONSLMIYDGFS-AWEZNQCLSA-N 2 2 325.294 3.497 20 0 EGADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1-c1cccc(Br)n1 ZINC001205183184 1370673090 /nfs/dbraw/zinc/67/30/90/1370673090.db2.gz WMDJISSVXWOOHJ-IUODEOHRSA-N 2 2 346.272 3.433 20 0 EGADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1-c1cccc(Br)n1 ZINC001205183184 1370673095 /nfs/dbraw/zinc/67/30/95/1370673095.db2.gz WMDJISSVXWOOHJ-IUODEOHRSA-N 2 2 346.272 3.433 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)cc1F ZINC001205214844 1370684331 /nfs/dbraw/zinc/68/43/31/1370684331.db2.gz CZAYDUMYMOMFIR-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)cc1F ZINC001205214844 1370684336 /nfs/dbraw/zinc/68/43/36/1370684336.db2.gz CZAYDUMYMOMFIR-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1F ZINC001205214844 1370684340 /nfs/dbraw/zinc/68/43/40/1370684340.db2.gz CZAYDUMYMOMFIR-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)cc1F ZINC001205214844 1370684344 /nfs/dbraw/zinc/68/43/44/1370684344.db2.gz CZAYDUMYMOMFIR-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205273044 1370703094 /nfs/dbraw/zinc/70/30/94/1370703094.db2.gz CSRWPUVZZSFSMD-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(Br)c1 ZINC001205273044 1370703098 /nfs/dbraw/zinc/70/30/98/1370703098.db2.gz CSRWPUVZZSFSMD-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@H]1CC[N@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@H]1C[NH3+] ZINC001205306552 1370715248 /nfs/dbraw/zinc/71/52/48/1370715248.db2.gz WZEFUIRBYFSMPY-WDEREUQCSA-N 2 2 330.929 3.424 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@H]1C[NH3+] ZINC001205306552 1370715252 /nfs/dbraw/zinc/71/52/52/1370715252.db2.gz WZEFUIRBYFSMPY-WDEREUQCSA-N 2 2 330.929 3.424 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CC2CC(C)C2)CCCCC1)n1cc[nH+]c1 ZINC001115752830 1370734578 /nfs/dbraw/zinc/73/45/78/1370734578.db2.gz XEPHNAFMLLFNPR-ADKAHSJRSA-N 2 2 346.519 3.289 20 0 EGADLP CC(C)C[C@H]([NH2+]CC1CC[NH+](C)CC1)C(=O)OCc1ccccc1 ZINC001205464898 1370764434 /nfs/dbraw/zinc/76/44/34/1370764434.db2.gz CIDWPZIXSWBXEG-IBGZPJMESA-N 2 2 332.488 3.076 20 0 EGADLP Cc1ccc(-c2cncc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c2)cc1 ZINC001205787021 1370870469 /nfs/dbraw/zinc/87/04/69/1370870469.db2.gz DNPPYBXCCMYFAS-SFHVURJKSA-N 2 2 331.410 3.473 20 0 EGADLP Cc1ccc(-c2cncc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)c2)cc1 ZINC001205787021 1370870477 /nfs/dbraw/zinc/87/04/77/1370870477.db2.gz DNPPYBXCCMYFAS-SFHVURJKSA-N 2 2 331.410 3.473 20 0 EGADLP CCOc1c(F)c(F)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001205804865 1370876627 /nfs/dbraw/zinc/87/66/27/1370876627.db2.gz LUJPSXSSTOBWLG-UHFFFAOYSA-N 2 2 329.350 3.365 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814349 1370880865 /nfs/dbraw/zinc/88/08/65/1370880865.db2.gz CCTWSQQHXZGVEO-GOEBONIOSA-N 2 2 328.456 3.416 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c2c(OC)cccc12 ZINC001205814349 1370880867 /nfs/dbraw/zinc/88/08/67/1370880867.db2.gz CCTWSQQHXZGVEO-GOEBONIOSA-N 2 2 328.456 3.416 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N2[C@H](C)CCC[C@H]2C)[nH+]1 ZINC001116346493 1370890040 /nfs/dbraw/zinc/89/00/40/1370890040.db2.gz VFSANLXLGAZNMR-KURKYZTESA-N 2 2 344.503 3.056 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@H]2C)[nH+]1 ZINC001116346493 1370890045 /nfs/dbraw/zinc/89/00/45/1370890045.db2.gz VFSANLXLGAZNMR-KURKYZTESA-N 2 2 344.503 3.056 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205856430 1370893588 /nfs/dbraw/zinc/89/35/88/1370893588.db2.gz VRQRJAGTTUDKLH-BEFAXECRSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205856430 1370893593 /nfs/dbraw/zinc/89/35/93/1370893593.db2.gz VRQRJAGTTUDKLH-BEFAXECRSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205856433 1370894058 /nfs/dbraw/zinc/89/40/58/1370894058.db2.gz VRQRJAGTTUDKLH-KXBFYZLASA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205856433 1370894060 /nfs/dbraw/zinc/89/40/60/1370894060.db2.gz VRQRJAGTTUDKLH-KXBFYZLASA-N 2 2 325.456 3.316 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1F ZINC001205913013 1370908624 /nfs/dbraw/zinc/90/86/24/1370908624.db2.gz GBSDBWQAMAZDNF-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1F ZINC001205913013 1370908627 /nfs/dbraw/zinc/90/86/27/1370908627.db2.gz GBSDBWQAMAZDNF-RYUDHWBXSA-N 2 2 329.257 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205917449 1370910042 /nfs/dbraw/zinc/91/00/42/1370910042.db2.gz YRTZYSQNVLNCOD-STQMWFEESA-N 2 2 338.546 3.456 20 0 EGADLP CC(C)Sc1nc2sccn2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205917449 1370910045 /nfs/dbraw/zinc/91/00/45/1370910045.db2.gz YRTZYSQNVLNCOD-STQMWFEESA-N 2 2 338.546 3.456 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2Oc2cccc(Cl)c2)C[C@H]1O ZINC001205952872 1370921596 /nfs/dbraw/zinc/92/15/96/1370921596.db2.gz DCCCUKMDAHHYJL-IAGOWNOFSA-N 2 2 332.831 3.026 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccc(Cl)c2)C[C@H]1O ZINC001205952872 1370921601 /nfs/dbraw/zinc/92/16/01/1370921601.db2.gz DCCCUKMDAHHYJL-IAGOWNOFSA-N 2 2 332.831 3.026 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001116583666 1370941333 /nfs/dbraw/zinc/94/13/33/1370941333.db2.gz NJUAQBJWMXHHRH-SFHVURJKSA-N 2 2 338.499 3.475 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001116583666 1370941338 /nfs/dbraw/zinc/94/13/38/1370941338.db2.gz NJUAQBJWMXHHRH-SFHVURJKSA-N 2 2 338.499 3.475 20 0 EGADLP CC[C@H](C)CC[C@H](O)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116879013 1370993397 /nfs/dbraw/zinc/99/33/97/1370993397.db2.gz LNSTWUKTBTXEQP-ZFWWWQNUSA-N 2 2 330.432 3.092 20 0 EGADLP CC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238219 1371000973 /nfs/dbraw/zinc/00/09/73/1371000973.db2.gz JOVIKSCTZLAJGJ-IDOMTICXSA-N 2 2 344.503 3.014 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001206286291 1371012683 /nfs/dbraw/zinc/01/26/83/1371012683.db2.gz RBYKBIREWATJCW-GFCCVEGCSA-N 2 2 338.377 3.137 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC001206286291 1371012684 /nfs/dbraw/zinc/01/26/84/1371012684.db2.gz RBYKBIREWATJCW-GFCCVEGCSA-N 2 2 338.377 3.137 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001206427213 1371050503 /nfs/dbraw/zinc/05/05/03/1371050503.db2.gz BJEUZOLZPUNHMD-QGZVFWFLSA-N 2 2 346.519 3.243 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)n1cc[nH+]c1 ZINC001206428213 1371051311 /nfs/dbraw/zinc/05/13/11/1371051311.db2.gz VVTWLTXBIQRETG-MRXNPFEDSA-N 2 2 334.508 3.099 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC001206532573 1371084790 /nfs/dbraw/zinc/08/47/90/1371084790.db2.gz CDCPQDGTWKFSEL-UHFFFAOYSA-N 2 2 340.467 3.388 20 0 EGADLP COc1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1OC ZINC001206550294 1371091147 /nfs/dbraw/zinc/09/11/47/1371091147.db2.gz ZQHAZVYXWUZMEC-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP COc1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1OC ZINC001206550294 1371091152 /nfs/dbraw/zinc/09/11/52/1371091152.db2.gz ZQHAZVYXWUZMEC-QGZVFWFLSA-N 2 2 326.868 3.308 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cccc(O)c2Br)C1 ZINC001206556261 1371092177 /nfs/dbraw/zinc/09/21/77/1371092177.db2.gz PULBQZMRPLDUQZ-OAHLLOKOSA-N 2 2 327.266 3.106 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC001206556261 1371092183 /nfs/dbraw/zinc/09/21/83/1371092183.db2.gz PULBQZMRPLDUQZ-OAHLLOKOSA-N 2 2 327.266 3.106 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563287 1371094236 /nfs/dbraw/zinc/09/42/36/1371094236.db2.gz BHYUPAPRUCQPAK-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206563287 1371094241 /nfs/dbraw/zinc/09/42/41/1371094241.db2.gz BHYUPAPRUCQPAK-MRXNPFEDSA-N 2 2 341.293 3.409 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)n1C ZINC001206792115 1371167777 /nfs/dbraw/zinc/16/77/77/1371167777.db2.gz FPYQTXVSDDTXOM-SFHVURJKSA-N 2 2 325.456 3.267 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805710 1371174577 /nfs/dbraw/zinc/17/45/77/1371174577.db2.gz CQULUEORKJZDTB-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(Br)cc(C)cc1C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206805710 1371174582 /nfs/dbraw/zinc/17/45/82/1371174582.db2.gz CQULUEORKJZDTB-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206809501 1371175908 /nfs/dbraw/zinc/17/59/08/1371175908.db2.gz LSTGFQRITPHWBE-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c1F ZINC001206809501 1371175911 /nfs/dbraw/zinc/17/59/11/1371175911.db2.gz LSTGFQRITPHWBE-VXGBXAGGSA-N 2 2 329.257 3.456 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206809413 1371176005 /nfs/dbraw/zinc/17/60/05/1371176005.db2.gz LPOCCODVCFUKQZ-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c1 ZINC001206809413 1371176008 /nfs/dbraw/zinc/17/60/08/1371176008.db2.gz LPOCCODVCFUKQZ-OLZOCXBDSA-N 2 2 341.293 3.407 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206970683 1371252182 /nfs/dbraw/zinc/25/21/82/1371252182.db2.gz AVBIVYFIGRXCRR-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP COC1CC[NH+](C2CC[NH+](CCc3cccc(Cl)c3)CC2)CC1 ZINC001207425526 1371391949 /nfs/dbraw/zinc/39/19/49/1371391949.db2.gz NYOSWBGDQPPBFO-UHFFFAOYSA-N 2 2 336.907 3.458 20 0 EGADLP Cc1cccc(CC[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001207534521 1371428047 /nfs/dbraw/zinc/42/80/47/1371428047.db2.gz KYPZGTPHGJORNL-UHFFFAOYSA-N 2 2 340.515 3.435 20 0 EGADLP Cc1cccc(CC[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001207534521 1371428051 /nfs/dbraw/zinc/42/80/51/1371428051.db2.gz KYPZGTPHGJORNL-UHFFFAOYSA-N 2 2 340.515 3.435 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCCCc3ccccc3)CC2)c1 ZINC001207615021 1371452165 /nfs/dbraw/zinc/45/21/65/1371452165.db2.gz KJVCILKAHBLCNL-UHFFFAOYSA-N 2 2 325.456 3.235 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703370 1371479178 /nfs/dbraw/zinc/47/91/78/1371479178.db2.gz ZVBZZFHXOMUBHF-SPYBWZPUSA-N 2 2 342.487 3.295 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001207703370 1371479182 /nfs/dbraw/zinc/47/91/82/1371479182.db2.gz ZVBZZFHXOMUBHF-SPYBWZPUSA-N 2 2 342.487 3.295 20 0 EGADLP Cc1c[nH+]c2n1CCC21CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208185746 1371627062 /nfs/dbraw/zinc/62/70/62/1371627062.db2.gz PJQIQQAGYHMEOC-UHFFFAOYSA-N 3 2 330.520 3.051 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(F)cc1Cl ZINC001120591250 1371627675 /nfs/dbraw/zinc/62/76/75/1371627675.db2.gz WFENXYDIZBGBIZ-BRWVUGGUSA-N 2 2 326.843 3.119 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(F)cc1Cl ZINC001120591250 1371627708 /nfs/dbraw/zinc/62/77/08/1371627708.db2.gz WFENXYDIZBGBIZ-BRWVUGGUSA-N 2 2 326.843 3.119 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001208196180 1371635955 /nfs/dbraw/zinc/63/59/55/1371635955.db2.gz XZEIITBLYPDFLD-IAGOWNOFSA-N 2 2 330.472 3.494 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001208419857 1371760884 /nfs/dbraw/zinc/76/08/84/1371760884.db2.gz CYPCBQJIBOJPDD-WBVHZDCISA-N 2 2 342.487 3.439 20 0 EGADLP CCN(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1)C(=O)OC(C)(C)C ZINC001208578424 1371825967 /nfs/dbraw/zinc/82/59/67/1371825967.db2.gz XTJUTLWDJVVXSP-MRXNPFEDSA-N 2 2 349.475 3.100 20 0 EGADLP CCN(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1)C(=O)OC(C)(C)C ZINC001208578424 1371825972 /nfs/dbraw/zinc/82/59/72/1371825972.db2.gz XTJUTLWDJVVXSP-MRXNPFEDSA-N 2 2 349.475 3.100 20 0 EGADLP Clc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208740619 1371879844 /nfs/dbraw/zinc/87/98/44/1371879844.db2.gz PZXOKXBQZCQUMY-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208740619 1371879850 /nfs/dbraw/zinc/87/98/50/1371879850.db2.gz PZXOKXBQZCQUMY-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208740619 1371879858 /nfs/dbraw/zinc/87/98/58/1371879858.db2.gz PZXOKXBQZCQUMY-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208740619 1371879864 /nfs/dbraw/zinc/87/98/64/1371879864.db2.gz PZXOKXBQZCQUMY-HDICACEKSA-N 2 2 341.886 3.341 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939070 1371954086 /nfs/dbraw/zinc/95/40/86/1371954086.db2.gz BJAJZIPFBLXHCN-SXLOBPIMSA-N 2 2 346.515 3.418 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208939070 1371954089 /nfs/dbraw/zinc/95/40/89/1371954089.db2.gz BJAJZIPFBLXHCN-SXLOBPIMSA-N 2 2 346.515 3.418 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208939070 1371954091 /nfs/dbraw/zinc/95/40/91/1371954091.db2.gz BJAJZIPFBLXHCN-SXLOBPIMSA-N 2 2 346.515 3.418 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939070 1371954096 /nfs/dbraw/zinc/95/40/96/1371954096.db2.gz BJAJZIPFBLXHCN-SXLOBPIMSA-N 2 2 346.515 3.418 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@@H+](CCCc2cccnc2)C3)c1 ZINC001209174538 1372024992 /nfs/dbraw/zinc/02/49/92/1372024992.db2.gz LZGSRENSAJUCKB-KDURUIRLSA-N 2 2 325.456 3.061 20 0 EGADLP c1coc(C[NH+]2C[C@@H]3C[C@H](C2)C[N@H+](CCCc2cccnc2)C3)c1 ZINC001209174538 1372024997 /nfs/dbraw/zinc/02/49/97/1372024997.db2.gz LZGSRENSAJUCKB-KDURUIRLSA-N 2 2 325.456 3.061 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](C[NH+](CCCc4cccnc4)C3)C2)c1 ZINC001209174538 1372025002 /nfs/dbraw/zinc/02/50/02/1372025002.db2.gz LZGSRENSAJUCKB-KDURUIRLSA-N 2 2 325.456 3.061 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](C[NH+](CCCc4cccnc4)C3)C2)c1 ZINC001209174538 1372025006 /nfs/dbraw/zinc/02/50/06/1372025006.db2.gz LZGSRENSAJUCKB-KDURUIRLSA-N 2 2 325.456 3.061 20 0 EGADLP CCOC(=O)CCCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209354304 1372075425 /nfs/dbraw/zinc/07/54/25/1372075425.db2.gz JHDDVQYBKZMBTH-KRWDZBQOSA-N 2 2 334.460 3.357 20 0 EGADLP CCOC(=O)CCCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209354304 1372075428 /nfs/dbraw/zinc/07/54/28/1372075428.db2.gz JHDDVQYBKZMBTH-KRWDZBQOSA-N 2 2 334.460 3.357 20 0 EGADLP COC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC001209452903 1372110275 /nfs/dbraw/zinc/11/02/75/1372110275.db2.gz UXCFKWSWWMOZFG-WOJBJXKFSA-N 2 2 344.499 3.489 20 0 EGADLP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC001209452903 1372110279 /nfs/dbraw/zinc/11/02/79/1372110279.db2.gz UXCFKWSWWMOZFG-WOJBJXKFSA-N 2 2 344.499 3.489 20 0 EGADLP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC001209453028 1372110492 /nfs/dbraw/zinc/11/04/92/1372110492.db2.gz DDLFGAFNJXZTBF-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC001209453028 1372110496 /nfs/dbraw/zinc/11/04/96/1372110496.db2.gz DDLFGAFNJXZTBF-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP c1cc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc2[nH]1 ZINC001209509484 1372124130 /nfs/dbraw/zinc/12/41/30/1372124130.db2.gz BUEVQWDYGLDQRF-WOJBJXKFSA-N 2 2 332.451 3.127 20 0 EGADLP Cc1cccn2cc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)nc12 ZINC001209742124 1372181516 /nfs/dbraw/zinc/18/15/16/1372181516.db2.gz PVMYHLKUCXIALM-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2cc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)nc12 ZINC001209742124 1372181518 /nfs/dbraw/zinc/18/15/18/1372181518.db2.gz PVMYHLKUCXIALM-UHFFFAOYSA-N 2 2 326.488 3.482 20 0 EGADLP C[N@@H+]1CCc2c(sc(Nc3cccc4cc[nH+]cc43)c2C(N)=O)C1 ZINC001210224172 1372298281 /nfs/dbraw/zinc/29/82/81/1372298281.db2.gz RSUGVIULHWVBLT-UHFFFAOYSA-N 2 2 338.436 3.127 20 0 EGADLP C[N@H+]1CCc2c(sc(Nc3cccc4cc[nH+]cc43)c2C(N)=O)C1 ZINC001210224172 1372298283 /nfs/dbraw/zinc/29/82/83/1372298283.db2.gz RSUGVIULHWVBLT-UHFFFAOYSA-N 2 2 338.436 3.127 20 0 EGADLP Cc1cc(C[N@@H+]2CC[NH2+]C[C@H](O)C2)cc(C)c1-c1ccc(F)cc1F ZINC001210475399 1372362368 /nfs/dbraw/zinc/36/23/68/1372362368.db2.gz MVIJWCGRKRBFOQ-KRWDZBQOSA-N 2 2 346.421 3.015 20 0 EGADLP Cc1cc(C[N@H+]2CC[NH2+]C[C@H](O)C2)cc(C)c1-c1ccc(F)cc1F ZINC001210475399 1372362370 /nfs/dbraw/zinc/36/23/70/1372362370.db2.gz MVIJWCGRKRBFOQ-KRWDZBQOSA-N 2 2 346.421 3.015 20 0 EGADLP Cc1ccc2c(Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cccc2[nH+]1 ZINC001212796848 1372773431 /nfs/dbraw/zinc/77/34/31/1372773431.db2.gz HQHYQTCPAGSYCF-UHFFFAOYSA-N 3 2 333.439 3.434 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001214632652 1373092975 /nfs/dbraw/zinc/09/29/75/1373092975.db2.gz QCEATOJVJJJRTD-CPHMMYSSSA-N 2 2 340.471 3.049 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC001130006607 1373445492 /nfs/dbraw/zinc/44/54/92/1373445492.db2.gz MQVBQYOSEGIGRA-OALUTQOASA-N 2 2 342.487 3.327 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2)c[nH+]1 ZINC001130167412 1373468681 /nfs/dbraw/zinc/46/86/81/1373468681.db2.gz VJYZHRQVNBBHJK-CQSZACIVSA-N 2 2 348.878 3.047 20 0 EGADLP [NH3+][C@@H](c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697333 1373490118 /nfs/dbraw/zinc/49/01/18/1373490118.db2.gz HEEGSTZVRQHOAQ-ZWKOTPCHSA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+][C@@H](c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697333 1373490121 /nfs/dbraw/zinc/49/01/21/1373490121.db2.gz HEEGSTZVRQHOAQ-ZWKOTPCHSA-N 2 2 334.423 3.107 20 0 EGADLP O=C(NCC[NH2+]Cc1cccc2ccccc21)c1cccc2[nH+]ccn21 ZINC001131270883 1373673015 /nfs/dbraw/zinc/67/30/15/1373673015.db2.gz VEDDATCTAXIUJK-UHFFFAOYSA-N 2 2 344.418 3.007 20 0 EGADLP C[NH+]1CCC(CO[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC001224453024 1375067950 /nfs/dbraw/zinc/06/79/50/1375067950.db2.gz JCKQEDWWMLLVDE-CQSZACIVSA-N 2 2 343.924 3.119 20 0 EGADLP C[NH+]1CCC(CO[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC001224453024 1375067957 /nfs/dbraw/zinc/06/79/57/1375067957.db2.gz JCKQEDWWMLLVDE-CQSZACIVSA-N 2 2 343.924 3.119 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001224795660 1375077264 /nfs/dbraw/zinc/07/72/64/1375077264.db2.gz JMQPOPYQSMAPKV-SJORKVTESA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001224795660 1375077272 /nfs/dbraw/zinc/07/72/72/1375077272.db2.gz JMQPOPYQSMAPKV-SJORKVTESA-N 2 2 348.535 3.099 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125541 1375158489 /nfs/dbraw/zinc/15/84/89/1375158489.db2.gz WBIXJMBKXDXADO-KBSZCIAZSA-N 2 2 346.519 3.252 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC[C@@H]1C ZINC001132125541 1375158491 /nfs/dbraw/zinc/15/84/91/1375158491.db2.gz WBIXJMBKXDXADO-KBSZCIAZSA-N 2 2 346.519 3.252 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC1CCCC1 ZINC001132221727 1375219756 /nfs/dbraw/zinc/21/97/56/1375219756.db2.gz NGQCKNDGJVUGHO-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC1CCCC1 ZINC001132221727 1375219758 /nfs/dbraw/zinc/21/97/58/1375219758.db2.gz NGQCKNDGJVUGHO-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1CCCCC1 ZINC001132222556 1375219835 /nfs/dbraw/zinc/21/98/35/1375219835.db2.gz ZQXULOLPZNCCOF-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1CCCCC1 ZINC001132222556 1375219840 /nfs/dbraw/zinc/21/98/40/1375219840.db2.gz ZQXULOLPZNCCOF-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC001327061878 1388370692 /nfs/dbraw/zinc/37/06/92/1388370692.db2.gz MULJTWVBTLULDG-LPHOPBHVSA-N 2 2 342.487 3.062 20 0 EGADLP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001227073489 1375384630 /nfs/dbraw/zinc/38/46/30/1375384630.db2.gz NGHYPFVTFDSJFY-IAGOWNOFSA-N 2 2 328.460 3.240 20 0 EGADLP COCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227637342 1375457924 /nfs/dbraw/zinc/45/79/24/1375457924.db2.gz VRNZBOIDDLQGNP-QZTJIDSGSA-N 2 2 347.503 3.064 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001132921401 1375645897 /nfs/dbraw/zinc/64/58/97/1375645897.db2.gz YUHGIMRXKZZBBB-XNYZWWGWSA-N 2 2 346.862 3.003 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1C ZINC001132982543 1375693238 /nfs/dbraw/zinc/69/32/38/1375693238.db2.gz SKHMINLABNKWLW-DLBZAZTESA-N 2 2 342.487 3.212 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C)n1cc[nH+]c1 ZINC001228852359 1375693541 /nfs/dbraw/zinc/69/35/41/1375693541.db2.gz JHIXPAVOXBIGNH-BRWVUGGUSA-N 2 2 334.508 3.287 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc(C)n1 ZINC001231996882 1376376431 /nfs/dbraw/zinc/37/64/31/1376376431.db2.gz IBKCDRTWNFTQHI-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP c1c2ccncc2[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001232094132 1376398301 /nfs/dbraw/zinc/39/83/01/1376398301.db2.gz JSTDZBUIZQGTOC-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227436 1376423853 /nfs/dbraw/zinc/42/38/53/1376423853.db2.gz HCZRZMWRENYSPM-JKSUJKDBSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC(C)(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001134402836 1376511881 /nfs/dbraw/zinc/51/18/81/1376511881.db2.gz IHGQSXKLXZMYPV-HZPDHXFCSA-N 2 2 348.535 3.071 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545577 1376584120 /nfs/dbraw/zinc/58/41/20/1376584120.db2.gz PTTHAMBJBNVWPB-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545577 1376584125 /nfs/dbraw/zinc/58/41/25/1376584125.db2.gz PTTHAMBJBNVWPB-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCC1=CCCCC1 ZINC001134544335 1376584240 /nfs/dbraw/zinc/58/42/40/1376584240.db2.gz FUHFSCPMBWGBPL-CVEARBPZSA-N 2 2 332.492 3.106 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCC1=CCCCC1 ZINC001134544335 1376584246 /nfs/dbraw/zinc/58/42/46/1376584246.db2.gz FUHFSCPMBWGBPL-CVEARBPZSA-N 2 2 332.492 3.106 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnn5ccccc45)C[C@H]3C2)cc1 ZINC001233237653 1376597335 /nfs/dbraw/zinc/59/73/35/1376597335.db2.gz VICUXEYCDKMTIV-NHCUHLMSSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1cnsc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322278 1376614781 /nfs/dbraw/zinc/61/47/81/1376614781.db2.gz ZBYVSOWBYYFMNK-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322278 1376614788 /nfs/dbraw/zinc/61/47/88/1376614788.db2.gz ZBYVSOWBYYFMNK-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322278 1376614797 /nfs/dbraw/zinc/61/47/97/1376614797.db2.gz ZBYVSOWBYYFMNK-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1cnsc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001233322278 1376614801 /nfs/dbraw/zinc/61/48/01/1376614801.db2.gz ZBYVSOWBYYFMNK-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC001233363788 1376629882 /nfs/dbraw/zinc/62/98/82/1376629882.db2.gz ASJUFOIINQIXTA-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc2[nH+]ccn21 ZINC001233363788 1376629887 /nfs/dbraw/zinc/62/98/87/1376629887.db2.gz ASJUFOIINQIXTA-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP Oc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235118224 1376849844 /nfs/dbraw/zinc/84/98/44/1376849844.db2.gz NDPMKMIBIRDWLE-OAQYLSRUSA-N 2 2 338.451 3.014 20 0 EGADLP Oc1ccc(-c2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235118224 1376849847 /nfs/dbraw/zinc/84/98/47/1376849847.db2.gz NDPMKMIBIRDWLE-OAQYLSRUSA-N 2 2 338.451 3.014 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001135055134 1376870796 /nfs/dbraw/zinc/87/07/96/1376870796.db2.gz DAXASMOIFNHBKA-IAGOWNOFSA-N 2 2 346.519 3.116 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633816 1376880921 /nfs/dbraw/zinc/88/09/21/1376880921.db2.gz QSEKLSDGIOKRSS-MSOLQXFVSA-N 2 2 348.535 3.439 20 0 EGADLP CC(C)C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C)n1cc[nH+]c1 ZINC001235633816 1376880923 /nfs/dbraw/zinc/88/09/23/1376880923.db2.gz QSEKLSDGIOKRSS-MSOLQXFVSA-N 2 2 348.535 3.439 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001236183294 1376940179 /nfs/dbraw/zinc/94/01/79/1376940179.db2.gz VWOQZLFPYBGYKZ-KCXAZCMYSA-N 2 2 344.833 3.204 20 0 EGADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001236183294 1376940186 /nfs/dbraw/zinc/94/01/86/1376940186.db2.gz VWOQZLFPYBGYKZ-KCXAZCMYSA-N 2 2 344.833 3.204 20 0 EGADLP Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(C[NH+]2CCOCC2)c1 ZINC001241250974 1377019677 /nfs/dbraw/zinc/01/96/77/1377019677.db2.gz FLDWHZNYFLCXLQ-UHFFFAOYSA-N 2 2 325.456 3.264 20 0 EGADLP COCOc1ccc(C)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244458233 1377037164 /nfs/dbraw/zinc/03/71/64/1377037164.db2.gz ZCAYRLWVVIXMLJ-GOSISDBHSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1ccc(C)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001244458233 1377037167 /nfs/dbraw/zinc/03/71/67/1377037167.db2.gz ZCAYRLWVVIXMLJ-GOSISDBHSA-N 2 2 326.440 3.178 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001135578459 1377153878 /nfs/dbraw/zinc/15/38/78/1377153878.db2.gz BJVOFKYSWJZIDL-HOTGVXAUSA-N 2 2 342.487 3.149 20 0 EGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001135729999 1377196398 /nfs/dbraw/zinc/19/63/98/1377196398.db2.gz ZODQHSOIOSHJKM-UHFFFAOYSA-N 2 2 348.450 3.479 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798982 1377213558 /nfs/dbraw/zinc/21/35/58/1377213558.db2.gz PPNVQKISDPNMRE-JKSUJKDBSA-N 2 2 342.487 3.149 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840257 1377228502 /nfs/dbraw/zinc/22/85/02/1377228502.db2.gz FZRYJMAFLQZNMZ-HYBGQWMJSA-N 2 2 346.862 3.111 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840930 1377228940 /nfs/dbraw/zinc/22/89/40/1377228940.db2.gz RLVVRVOYDQANCL-IRXDYDNUSA-N 2 2 340.471 3.325 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]CCC1CCCCCC1 ZINC001135949218 1377274368 /nfs/dbraw/zinc/27/43/68/1377274368.db2.gz JQUWEJYVJKEYGP-SJORKVTESA-N 2 2 348.535 3.196 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001136031270 1377305636 /nfs/dbraw/zinc/30/56/36/1377305636.db2.gz IDMVIYQFOJMSTC-CVEARBPZSA-N 2 2 348.535 3.494 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001136329713 1377378265 /nfs/dbraw/zinc/37/82/65/1377378265.db2.gz LZZLQYFTVUJQRH-AWEZNQCLSA-N 2 2 330.407 3.072 20 0 EGADLP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC001136329713 1377378269 /nfs/dbraw/zinc/37/82/69/1377378269.db2.gz LZZLQYFTVUJQRH-AWEZNQCLSA-N 2 2 330.407 3.072 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)c1 ZINC001137060364 1377470404 /nfs/dbraw/zinc/47/04/04/1377470404.db2.gz PLQSNCXUYJQSLA-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268075362 1377485051 /nfs/dbraw/zinc/48/50/51/1377485051.db2.gz NUCUIUFZEBCQPI-HZPDHXFCSA-N 2 2 336.439 3.146 20 0 EGADLP c1c2ccccc2[nH]c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001137314951 1377516943 /nfs/dbraw/zinc/51/69/43/1377516943.db2.gz QXQHCEQPYMAJRC-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncnc3)C[C@H]21 ZINC001137666213 1377585874 /nfs/dbraw/zinc/58/58/74/1377585874.db2.gz RZICFXTXVVUZKB-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncnc3)C[C@H]21 ZINC001137666213 1377585880 /nfs/dbraw/zinc/58/58/80/1377585880.db2.gz RZICFXTXVVUZKB-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncnc3)C[C@H]21 ZINC001137666213 1377585882 /nfs/dbraw/zinc/58/58/82/1377585882.db2.gz RZICFXTXVVUZKB-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]21 ZINC001137666213 1377585887 /nfs/dbraw/zinc/58/58/87/1377585887.db2.gz RZICFXTXVVUZKB-QXAKKESOSA-N 2 2 342.512 3.271 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001271227525 1377623921 /nfs/dbraw/zinc/62/39/21/1377623921.db2.gz OHTYADPPTFLFFC-MSOLQXFVSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3ccc(C)cn3)CC2)cc1 ZINC001138547210 1377739748 /nfs/dbraw/zinc/73/97/48/1377739748.db2.gz HSCFLJVZPUNVSF-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP CC(C)[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC001138651661 1377763221 /nfs/dbraw/zinc/76/32/21/1377763221.db2.gz QHKNFYTUMJNWDU-UHFFFAOYSA-N 2 2 330.451 3.316 20 0 EGADLP CC(C)[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC001138651661 1377763223 /nfs/dbraw/zinc/76/32/23/1377763223.db2.gz QHKNFYTUMJNWDU-UHFFFAOYSA-N 2 2 330.451 3.316 20 0 EGADLP Cn1ccc2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc21 ZINC001139205242 1377851076 /nfs/dbraw/zinc/85/10/76/1377851076.db2.gz TWYXJCXQTVADPH-WOJBJXKFSA-N 2 2 346.478 3.137 20 0 EGADLP Nc1ncc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC001139228714 1377856741 /nfs/dbraw/zinc/85/67/41/1377856741.db2.gz ATKFIYLZDKDEBS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC001139228714 1377856745 /nfs/dbraw/zinc/85/67/45/1377856745.db2.gz ATKFIYLZDKDEBS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC001139228714 1377856753 /nfs/dbraw/zinc/85/67/53/1377856753.db2.gz ATKFIYLZDKDEBS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Nc1ncc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC001139228714 1377856759 /nfs/dbraw/zinc/85/67/59/1377856759.db2.gz ATKFIYLZDKDEBS-IBGZPJMESA-N 2 2 342.512 3.213 20 0 EGADLP Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC001139364545 1377874594 /nfs/dbraw/zinc/87/45/94/1377874594.db2.gz WDUIUDFLTFBVRT-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC001139364545 1377874595 /nfs/dbraw/zinc/87/45/95/1377874595.db2.gz WDUIUDFLTFBVRT-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccccc2-n2cncn2)C2CCCC2)CC1 ZINC001139422618 1377881749 /nfs/dbraw/zinc/88/17/49/1377881749.db2.gz MJVUUYIKMPYQLT-UHFFFAOYSA-N 2 2 339.487 3.106 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccccc2-n2cncn2)C2CCCC2)CC1 ZINC001139422618 1377881750 /nfs/dbraw/zinc/88/17/50/1377881750.db2.gz MJVUUYIKMPYQLT-UHFFFAOYSA-N 2 2 339.487 3.106 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H]1C ZINC001139767584 1377948206 /nfs/dbraw/zinc/94/82/06/1377948206.db2.gz WWFJINLGGBMBNN-QZTJIDSGSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H]1C ZINC001139767584 1377948207 /nfs/dbraw/zinc/94/82/07/1377948207.db2.gz WWFJINLGGBMBNN-QZTJIDSGSA-N 2 2 332.488 3.018 20 0 EGADLP Cn1c(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc2ccccc21 ZINC001139870991 1377968016 /nfs/dbraw/zinc/96/80/16/1377968016.db2.gz PBRWFGAWFQRVRM-RTBURBONSA-N 2 2 346.478 3.137 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027683 1377993071 /nfs/dbraw/zinc/99/30/71/1377993071.db2.gz VIGHRCGQFABUCD-KSSFIOAISA-N 2 2 329.444 3.200 20 0 EGADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027683 1377993073 /nfs/dbraw/zinc/99/30/73/1377993073.db2.gz VIGHRCGQFABUCD-KSSFIOAISA-N 2 2 329.444 3.200 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001140029723 1377993197 /nfs/dbraw/zinc/99/31/97/1377993197.db2.gz QYXKIQIVYQDCHF-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001140029723 1377993198 /nfs/dbraw/zinc/99/31/98/1377993198.db2.gz QYXKIQIVYQDCHF-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413935 1378059311 /nfs/dbraw/zinc/05/93/11/1378059311.db2.gz MLYGLFMMXGKYJJ-SJLPKXTDSA-N 2 2 342.874 3.323 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413935 1378059312 /nfs/dbraw/zinc/05/93/12/1378059312.db2.gz MLYGLFMMXGKYJJ-SJLPKXTDSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413935 1378059314 /nfs/dbraw/zinc/05/93/14/1378059314.db2.gz MLYGLFMMXGKYJJ-SJLPKXTDSA-N 2 2 342.874 3.323 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(Cl)nn4)cc3)C[C@H]21 ZINC001140413935 1378059315 /nfs/dbraw/zinc/05/93/15/1378059315.db2.gz MLYGLFMMXGKYJJ-SJLPKXTDSA-N 2 2 342.874 3.323 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)ccc1O ZINC001140573834 1378087296 /nfs/dbraw/zinc/08/72/96/1378087296.db2.gz UJGLWVWZWDBEIW-IAGOWNOFSA-N 2 2 328.481 3.326 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4c[nH]c5cc[nH+]cc45)C[C@@H]3C2)cc1 ZINC001140801385 1378141337 /nfs/dbraw/zinc/14/13/37/1378141337.db2.gz LMOPKKKYWQCXGP-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4c[nH]c5cc[nH+]cc45)C[C@@H]3C2)cc1 ZINC001140801385 1378141339 /nfs/dbraw/zinc/14/13/39/1378141339.db2.gz LMOPKKKYWQCXGP-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4c[nH]c5cc[nH+]cc45)C[C@@H]3C2)cc1 ZINC001140801385 1378141341 /nfs/dbraw/zinc/14/13/41/1378141341.db2.gz LMOPKKKYWQCXGP-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4c[nH]c5cc[nH+]cc45)C[C@@H]3C2)cc1 ZINC001140801385 1378141344 /nfs/dbraw/zinc/14/13/44/1378141344.db2.gz LMOPKKKYWQCXGP-BGYRXZFFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4c[nH]c5cc[nH+]cc45)C[C@@H]3C2)cc1 ZINC001140801386 1378142311 /nfs/dbraw/zinc/14/23/11/1378142311.db2.gz LMOPKKKYWQCXGP-PMACEKPBSA-N 3 2 346.478 3.435 20 0 EGADLP O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140807011 1378146552 /nfs/dbraw/zinc/14/65/52/1378146552.db2.gz ZZHLIBJGNSVCNZ-QGZVFWFLSA-N 2 2 346.434 3.183 20 0 EGADLP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[N@H+](CCCC(F)(F)F)C3)CC1 ZINC001276492379 1378175656 /nfs/dbraw/zinc/17/56/56/1378175656.db2.gz UDXMWYWDDYSJRV-UHFFFAOYSA-N 3 2 347.469 3.069 20 0 EGADLP CC[NH+]1CCC(C[NH+]2CC3(C2)CC[N@@H+](CCCC(F)(F)F)C3)CC1 ZINC001276492379 1378175658 /nfs/dbraw/zinc/17/56/58/1378175658.db2.gz UDXMWYWDDYSJRV-UHFFFAOYSA-N 3 2 347.469 3.069 20 0 EGADLP COc1ccsc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001141326603 1378302863 /nfs/dbraw/zinc/30/28/63/1378302863.db2.gz ANAYKMQMOKTTIW-IRXDYDNUSA-N 2 2 328.481 3.321 20 0 EGADLP Cc1ccc(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)c2ccccc12 ZINC001279444040 1378308203 /nfs/dbraw/zinc/30/82/03/1378308203.db2.gz LXPPSVSKCPOYAO-UHFFFAOYSA-N 2 2 346.478 3.305 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(C(F)(F)F)c(OC)c3)C[C@@H]2C1 ZINC001143352036 1378584892 /nfs/dbraw/zinc/58/48/92/1378584892.db2.gz GHYSLCOAKBBITF-GJZGRUSLSA-N 2 2 342.405 3.488 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001144336017 1378717593 /nfs/dbraw/zinc/71/75/93/1378717593.db2.gz AVAXZTPVFBBXGG-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001144336017 1378717595 /nfs/dbraw/zinc/71/75/95/1378717595.db2.gz AVAXZTPVFBBXGG-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001144336017 1378717596 /nfs/dbraw/zinc/71/75/96/1378717596.db2.gz AVAXZTPVFBBXGG-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP CCOC(=O)c1[nH]ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001144336017 1378717597 /nfs/dbraw/zinc/71/75/97/1378717597.db2.gz AVAXZTPVFBBXGG-IRXDYDNUSA-N 2 2 333.476 3.030 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001146714715 1378906113 /nfs/dbraw/zinc/90/61/13/1378906113.db2.gz QPIMQCGDEMUXRJ-DLBZAZTESA-N 2 2 346.519 3.117 20 0 EGADLP Clc1cccc(-c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nn2)c1 ZINC001155063917 1380401652 /nfs/dbraw/zinc/40/16/52/1380401652.db2.gz JYMIECVZTVUSFF-UHFFFAOYSA-N 2 2 339.830 3.450 20 0 EGADLP CC[N@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522327 1380464129 /nfs/dbraw/zinc/46/41/29/1380464129.db2.gz UXIVKYOTMDDKFG-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155522327 1380464130 /nfs/dbraw/zinc/46/41/30/1380464130.db2.gz UXIVKYOTMDDKFG-JKSUJKDBSA-N 2 2 346.450 3.000 20 0 EGADLP C[NH+](C)C1(CNc2ccc3c(Cl)cccc3n2)CC[NH+](C)CC1 ZINC001156182476 1380537519 /nfs/dbraw/zinc/53/75/19/1380537519.db2.gz VJXOZNYGMNWEKQ-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP Cc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)c(Cl)cc1Cl ZINC001156185080 1380538164 /nfs/dbraw/zinc/53/81/64/1380538164.db2.gz LXCJDCUKGRLKQT-UHFFFAOYSA-N 2 2 331.291 3.135 20 0 EGADLP CCC[NH+]1C[C@@H]2CN(c3ccc4c(cc(OC)cc4OC)[nH+]3)C[C@H]2C1 ZINC001157699792 1381007063 /nfs/dbraw/zinc/00/70/63/1381007063.db2.gz MRQOAAAVHFNNIE-HUUCEWRRSA-N 2 2 341.455 3.030 20 0 EGADLP CC(C)CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881040 1381058629 /nfs/dbraw/zinc/05/86/29/1381058629.db2.gz RDZZMNZCSGBDFW-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP CC(C)CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881040 1381058633 /nfs/dbraw/zinc/05/86/33/1381058633.db2.gz RDZZMNZCSGBDFW-QGZVFWFLSA-N 2 2 334.508 3.091 20 0 EGADLP c1ccc2cc(CCNc3ccc(N4CC[NH2+]CC4)c[nH+]3)ccc2c1 ZINC001157911116 1381068122 /nfs/dbraw/zinc/06/81/22/1381068122.db2.gz YEPVINFSEYKRRC-UHFFFAOYSA-N 2 2 332.451 3.299 20 0 EGADLP C[C@H](F)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128767 1381136459 /nfs/dbraw/zinc/13/64/59/1381136459.db2.gz JXXUWXPHKGFRIG-GOEBONIOSA-N 2 2 346.450 3.238 20 0 EGADLP C[C@H](F)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001158128767 1381136463 /nfs/dbraw/zinc/13/64/63/1381136463.db2.gz JXXUWXPHKGFRIG-GOEBONIOSA-N 2 2 346.450 3.238 20 0 EGADLP CC[N@@H+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C(C)(C)C1 ZINC001158561388 1381299873 /nfs/dbraw/zinc/29/98/73/1381299873.db2.gz BTDABSWLVWHKIM-UHFFFAOYSA-N 2 2 329.444 3.173 20 0 EGADLP CC[N@H+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C(C)(C)C1 ZINC001158561388 1381299878 /nfs/dbraw/zinc/29/98/78/1381299878.db2.gz BTDABSWLVWHKIM-UHFFFAOYSA-N 2 2 329.444 3.173 20 0 EGADLP CCOc1ccc(C)cc1Nc1ccc[nH+]c1N1CCC([NH3+])CC1 ZINC001159261601 1381747226 /nfs/dbraw/zinc/74/72/26/1381747226.db2.gz LRDHMDGHPLBRQU-UHFFFAOYSA-N 2 2 326.444 3.460 20 0 EGADLP Nc1ccc[nH+]c1N(CC1CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC001159333270 1381767038 /nfs/dbraw/zinc/76/70/38/1381767038.db2.gz ARGAQUZHAVZKQT-UHFFFAOYSA-N 2 2 338.455 3.127 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964194 1381951958 /nfs/dbraw/zinc/95/19/58/1381951958.db2.gz FVSUBSPZRFKSBF-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159964194 1381951961 /nfs/dbraw/zinc/95/19/61/1381951961.db2.gz FVSUBSPZRFKSBF-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP COc1cc(Nc2ccc(OC3CC[NH2+]CC3)c(F)c2)cc(C)[nH+]1 ZINC001160101560 1381996809 /nfs/dbraw/zinc/99/68/09/1381996809.db2.gz SAKSAZJNXCLGEU-UHFFFAOYSA-N 2 2 331.391 3.412 20 0 EGADLP CN(C)c1ccc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001160156384 1382019248 /nfs/dbraw/zinc/01/92/48/1382019248.db2.gz KMEPUNVIVCANMG-UHFFFAOYSA-N 2 2 344.434 3.409 20 0 EGADLP CNc1cc(Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cc[nH+]1 ZINC001160347544 1382078696 /nfs/dbraw/zinc/07/86/96/1382078696.db2.gz DDHXTPNBIIYGAS-HNNXBMFYSA-N 2 2 334.370 3.243 20 0 EGADLP O=C(NCCC1=CC[N@H+](C/C=C\Cl)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160491612 1382121017 /nfs/dbraw/zinc/12/10/17/1382121017.db2.gz HHECWZNEFHSSOP-BHQIHCQQSA-N 2 2 344.846 3.067 20 0 EGADLP O=C(NCCC1=CC[N@@H+](C/C=C\Cl)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160491612 1382121022 /nfs/dbraw/zinc/12/10/22/1382121022.db2.gz HHECWZNEFHSSOP-BHQIHCQQSA-N 2 2 344.846 3.067 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001160528381 1382131970 /nfs/dbraw/zinc/13/19/70/1382131970.db2.gz NQHVOBOERGMCAW-CTWPCTMYSA-N 2 2 348.535 3.393 20 0 EGADLP CCC/C=C/CC[NH2+]CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001160528191 1382132160 /nfs/dbraw/zinc/13/21/60/1382132160.db2.gz KHLUBUSMRHBEGK-IPLHWJFFSA-N 2 2 334.508 3.313 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CC2CCC(C)(C)CC2)c[nH+]1 ZINC001160820173 1382208297 /nfs/dbraw/zinc/20/82/97/1382208297.db2.gz FGAKBMFVHNWQDD-UHFFFAOYSA-N 2 2 348.535 3.239 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001160992004 1382265968 /nfs/dbraw/zinc/26/59/68/1382265968.db2.gz PCQVLAJTBFACJW-HOTGVXAUSA-N 2 2 342.487 3.489 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001293354013 1382275648 /nfs/dbraw/zinc/27/56/48/1382275648.db2.gz WUTBVOMMXZKYIG-MRXNPFEDSA-N 2 2 342.487 3.273 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001293354013 1382275652 /nfs/dbraw/zinc/27/56/52/1382275652.db2.gz WUTBVOMMXZKYIG-MRXNPFEDSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1nc(NC2CC[NH+](Cc3ccncc3)CC2)cc(C(C)C)[nH+]1 ZINC001161101155 1382296736 /nfs/dbraw/zinc/29/67/36/1382296736.db2.gz NGAGHQAUUWTWHK-UHFFFAOYSA-N 2 2 325.460 3.380 20 0 EGADLP C[C@@H](CC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001161356095 1382381164 /nfs/dbraw/zinc/38/11/64/1382381164.db2.gz AVUSQLUZSVKCOA-KRWDZBQOSA-N 2 2 344.503 3.163 20 0 EGADLP C[C@@H](CC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)n1cc[nH+]c1 ZINC001161356095 1382381167 /nfs/dbraw/zinc/38/11/67/1382381167.db2.gz AVUSQLUZSVKCOA-KRWDZBQOSA-N 2 2 344.503 3.163 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439358 1382411626 /nfs/dbraw/zinc/41/16/26/1382411626.db2.gz LNUOZQSTLJHMOO-KRWDZBQOSA-N 2 2 346.519 3.307 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161439358 1382411627 /nfs/dbraw/zinc/41/16/27/1382411627.db2.gz LNUOZQSTLJHMOO-KRWDZBQOSA-N 2 2 346.519 3.307 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439358 1382411632 /nfs/dbraw/zinc/41/16/32/1382411632.db2.gz LNUOZQSTLJHMOO-KRWDZBQOSA-N 2 2 346.519 3.307 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161439358 1382411636 /nfs/dbraw/zinc/41/16/36/1382411636.db2.gz LNUOZQSTLJHMOO-KRWDZBQOSA-N 2 2 346.519 3.307 20 0 EGADLP CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994045 1382592190 /nfs/dbraw/zinc/59/21/90/1382592190.db2.gz QRAOBRPCXYVDLH-ONEGZZNKSA-N 2 2 344.503 3.158 20 0 EGADLP CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994045 1382592194 /nfs/dbraw/zinc/59/21/94/1382592194.db2.gz QRAOBRPCXYVDLH-ONEGZZNKSA-N 2 2 344.503 3.158 20 0 EGADLP c1cc2n(c1)C[C@@H](CCNc1cccc(Cc3ccncc3)[nH+]1)C[NH2+]C2 ZINC001163058297 1382957083 /nfs/dbraw/zinc/95/70/83/1382957083.db2.gz XNMSRRXUJAOSQI-SFHVURJKSA-N 2 2 347.466 3.091 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163064485 1382958789 /nfs/dbraw/zinc/95/87/89/1382958789.db2.gz ZFIOICCHZWULDS-INIZCTEOSA-N 2 2 335.455 3.110 20 0 EGADLP Brc1ccc2[nH+]ccn2c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163239870 1383003294 /nfs/dbraw/zinc/00/32/94/1383003294.db2.gz SOMIDYZCWJRTCP-NSHDSACASA-N 2 2 349.257 3.415 20 0 EGADLP Fc1ccccc1COc1ccc[nH+]c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163261528 1383007660 /nfs/dbraw/zinc/00/76/60/1383007660.db2.gz AXRRPKMCUQKNJP-KMFMINBZSA-N 2 2 327.403 3.210 20 0 EGADLP CCCN(CCC)c1cc(N[C@@H](C[NH3+])c2cccc(OC)c2)nc[nH+]1 ZINC001163308364 1383017715 /nfs/dbraw/zinc/01/77/15/1383017715.db2.gz BPPLXSRNCAGXDV-KRWDZBQOSA-N 2 2 343.475 3.224 20 0 EGADLP COc1c(F)cccc1[C@@H](C)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001163338619 1383025974 /nfs/dbraw/zinc/02/59/74/1383025974.db2.gz UVZDCMIZWCPTEM-CQSZACIVSA-N 2 2 344.434 3.154 20 0 EGADLP c1cc(C2CC2)[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163887355 1383133027 /nfs/dbraw/zinc/13/30/27/1383133027.db2.gz ZFYBSWDNWQSNSL-UHFFFAOYSA-N 2 2 329.488 3.288 20 0 EGADLP C[NH+](C)C1(CNc2cc(-c3cccs3)ccn2)CC[NH+](C)CC1 ZINC001164206918 1383165946 /nfs/dbraw/zinc/16/59/46/1383165946.db2.gz KOFXRJZVWQFCGM-UHFFFAOYSA-N 2 2 330.501 3.248 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001164493115 1383193087 /nfs/dbraw/zinc/19/30/87/1383193087.db2.gz QQDSITGMZUDEMU-YTQUADARSA-N 2 2 347.466 3.239 20 0 EGADLP Nc1cn2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2[nH+]1 ZINC001164493115 1383193088 /nfs/dbraw/zinc/19/30/88/1383193088.db2.gz QQDSITGMZUDEMU-YTQUADARSA-N 2 2 347.466 3.239 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(C)c3ccc(Cl)cc3n1)CC[NH2+]CC2 ZINC001165354895 1383280715 /nfs/dbraw/zinc/28/07/15/1383280715.db2.gz LTHLYVZZMXKGMC-UHFFFAOYSA-N 2 2 326.831 3.379 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc3c(F)ccc(F)c13)CC[NH2+]CC2 ZINC001165357240 1383281455 /nfs/dbraw/zinc/28/14/55/1383281455.db2.gz WPLHJDPFNOJHQH-UHFFFAOYSA-N 2 2 348.784 3.349 20 0 EGADLP COc1ccc2[nH+]c(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)cc(C)c2c1 ZINC001165430982 1383294952 /nfs/dbraw/zinc/29/49/52/1383294952.db2.gz OVKOTIHKHRUYTF-XJKSGUPXSA-N 2 2 329.419 3.065 20 0 EGADLP O=C(NCCC1(C[NH2+]Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001166139003 1383394673 /nfs/dbraw/zinc/39/46/73/1383394673.db2.gz XIGXHIVGCPRNNO-UHFFFAOYSA-N 2 2 348.450 3.024 20 0 EGADLP CCN(C)c1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc[nH+]1 ZINC001166889373 1383494618 /nfs/dbraw/zinc/49/46/18/1383494618.db2.gz RIOLJUSEAXPYSE-KRWDZBQOSA-N 2 2 325.460 3.182 20 0 EGADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001303033636 1383779494 /nfs/dbraw/zinc/77/94/94/1383779494.db2.gz NRYKVKHYBFBRHL-FQEVSTJZSA-N 2 2 348.450 3.116 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059888 1383807216 /nfs/dbraw/zinc/80/72/16/1383807216.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059888 1383807225 /nfs/dbraw/zinc/80/72/25/1383807225.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059888 1383807230 /nfs/dbraw/zinc/80/72/30/1383807230.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 3 2 341.543 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059888 1383807234 /nfs/dbraw/zinc/80/72/34/1383807234.db2.gz VSCZCWBTKOGFTG-NPDDRXJXSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC001168290238 1383864589 /nfs/dbraw/zinc/86/45/89/1383864589.db2.gz GMAFNUMFNHCJFJ-ACBHZAAOSA-N 2 2 346.515 3.402 20 0 EGADLP COc1ccc2c(c1)C[C@@H](N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168291563 1383865064 /nfs/dbraw/zinc/86/50/64/1383865064.db2.gz MPAAEKGWHBGRDX-IBGZPJMESA-N 2 2 337.467 3.124 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001328835676 1388884590 /nfs/dbraw/zinc/88/45/90/1388884590.db2.gz XPAKDIKJIWWGJC-AYOQOUSVSA-N 2 2 330.391 3.100 20 0 EGADLP O=C(c1ccccc1)C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168372037 1383887538 /nfs/dbraw/zinc/88/75/38/1383887538.db2.gz RXWJVLRIJIUXNM-UHFFFAOYSA-N 2 2 326.484 3.456 20 0 EGADLP O=C1CC2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c2ccccc21 ZINC001168394991 1383895249 /nfs/dbraw/zinc/89/52/49/1383895249.db2.gz JJKVDOVHPRJVOX-UHFFFAOYSA-N 2 2 338.495 3.481 20 0 EGADLP FC1(F)CN(C2CC[NH+](CC3CC3)CC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001168394749 1383895332 /nfs/dbraw/zinc/89/53/32/1383895332.db2.gz FWABDIKDFMVNMO-SFHVURJKSA-N 2 2 341.490 3.056 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168498566 1383924462 /nfs/dbraw/zinc/92/44/62/1383924462.db2.gz UNHCYDRBMBGKBC-JXFKEZNVSA-N 2 2 334.479 3.332 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168498566 1383924465 /nfs/dbraw/zinc/92/44/65/1383924465.db2.gz UNHCYDRBMBGKBC-JXFKEZNVSA-N 2 2 334.479 3.332 20 0 EGADLP COC(=O)C1(C)CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001168768152 1383996867 /nfs/dbraw/zinc/99/68/67/1383996867.db2.gz RVQSEUGDENMGTM-UHFFFAOYSA-N 2 2 348.462 3.197 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102303 1384107119 /nfs/dbraw/zinc/10/71/19/1384107119.db2.gz ZEGFOUMYSKRXFV-GAZPGATBSA-N 2 2 337.467 3.382 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102303 1384107120 /nfs/dbraw/zinc/10/71/20/1384107120.db2.gz ZEGFOUMYSKRXFV-GAZPGATBSA-N 2 2 337.467 3.382 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001169240408 1384126456 /nfs/dbraw/zinc/12/64/56/1384126456.db2.gz HOMVKBUCQPQUHJ-UHFFFAOYSA-N 3 2 335.923 3.160 20 0 EGADLP CC[NH+]1CCC([N@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169264404 1384129384 /nfs/dbraw/zinc/12/93/84/1384129384.db2.gz NMGBEFSVNISTBF-QGZVFWFLSA-N 2 2 339.524 3.191 20 0 EGADLP CC[NH+]1CCC([N@@H+](C(C)C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169264404 1384129385 /nfs/dbraw/zinc/12/93/85/1384129385.db2.gz NMGBEFSVNISTBF-QGZVFWFLSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169268160 1384130290 /nfs/dbraw/zinc/13/02/90/1384130290.db2.gz IMBVGTIKVCCDDW-XBMUEBEBSA-N 2 2 330.472 3.229 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169268160 1384130291 /nfs/dbraw/zinc/13/02/91/1384130291.db2.gz IMBVGTIKVCCDDW-XBMUEBEBSA-N 2 2 330.472 3.229 20 0 EGADLP Cc1csc2nc(C)c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n12 ZINC001308563742 1384133945 /nfs/dbraw/zinc/13/39/45/1384133945.db2.gz ASXWPGYQXIHONS-INIZCTEOSA-N 2 2 332.517 3.320 20 0 EGADLP Cc1csc2nc(C)c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n12 ZINC001308563742 1384133949 /nfs/dbraw/zinc/13/39/49/1384133949.db2.gz ASXWPGYQXIHONS-INIZCTEOSA-N 2 2 332.517 3.320 20 0 EGADLP C[C@H]1CCCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308695339 1384142891 /nfs/dbraw/zinc/14/28/91/1384142891.db2.gz NRPFOSJMMLRQPN-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC001308695339 1384142892 /nfs/dbraw/zinc/14/28/92/1384142892.db2.gz NRPFOSJMMLRQPN-SFHVURJKSA-N 2 2 332.488 3.020 20 0 EGADLP C[NH+]1CCC(C[NH2+]CC(F)(F)c2ccc(Br)cc2)CC1 ZINC001308874862 1384156316 /nfs/dbraw/zinc/15/63/16/1384156316.db2.gz MRKXXGAIVCPQOM-UHFFFAOYSA-N 2 2 347.247 3.472 20 0 EGADLP O=c1cc2[nH]c([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)ccc-2[nH]1 ZINC001170332791 1384293719 /nfs/dbraw/zinc/29/37/19/1384293719.db2.gz GPHIBMUSAYYZTP-OSYLJGHBSA-N 2 2 348.450 3.184 20 0 EGADLP O=c1cc2[nH]c([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc-2[nH]1 ZINC001170332791 1384293727 /nfs/dbraw/zinc/29/37/27/1384293727.db2.gz GPHIBMUSAYYZTP-OSYLJGHBSA-N 2 2 348.450 3.184 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001170894767 1384407087 /nfs/dbraw/zinc/40/70/87/1384407087.db2.gz NBYXOYFJNWUCCB-SJORKVTESA-N 2 2 348.535 3.073 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152848 1384456283 /nfs/dbraw/zinc/45/62/83/1384456283.db2.gz UMFUFZWSIBXRKJ-MRXNPFEDSA-N 2 2 332.492 3.107 20 0 EGADLP C[C@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152848 1384456287 /nfs/dbraw/zinc/45/62/87/1384456287.db2.gz UMFUFZWSIBXRKJ-MRXNPFEDSA-N 2 2 332.492 3.107 20 0 EGADLP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(N4CCCC4)[nH+]cn3)c2c1 ZINC001171164970 1384458496 /nfs/dbraw/zinc/45/84/96/1384458496.db2.gz MBJFAZKUHZUBSZ-HNNXBMFYSA-N 2 2 335.455 3.219 20 0 EGADLP Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC001171347631 1384498473 /nfs/dbraw/zinc/49/84/73/1384498473.db2.gz XBRKGOANCGWXRN-KRWDZBQOSA-N 2 2 343.421 3.476 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171496691 1384542188 /nfs/dbraw/zinc/54/21/88/1384542188.db2.gz FBZBGQQPHGXSPG-AWEZNQCLSA-N 2 2 326.406 3.283 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCC(C)C)c[nH+]1 ZINC001171509502 1384546507 /nfs/dbraw/zinc/54/65/07/1384546507.db2.gz QZVGRDHIGWJFPN-MRXNPFEDSA-N 2 2 336.524 3.237 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171603514 1384576155 /nfs/dbraw/zinc/57/61/55/1384576155.db2.gz ALDSVVQJDQOHJA-ROUUACIJSA-N 2 2 348.535 3.146 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC001171731393 1384617194 /nfs/dbraw/zinc/61/71/94/1384617194.db2.gz AINPHKQRZLKPOK-BVJIBDCISA-N 2 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC001171731393 1384617202 /nfs/dbraw/zinc/61/72/02/1384617202.db2.gz AINPHKQRZLKPOK-BVJIBDCISA-N 2 2 327.516 3.254 20 0 EGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC001171732590 1384618633 /nfs/dbraw/zinc/61/86/33/1384618633.db2.gz CRIWNUFLTWMIHM-UWJYYQICSA-N 2 2 327.516 3.113 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967605 1384698552 /nfs/dbraw/zinc/69/85/52/1384698552.db2.gz MLYYHUBQAVTBCJ-LJQANCHMSA-N 3 2 326.488 3.224 20 0 EGADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127359 1384736386 /nfs/dbraw/zinc/73/63/86/1384736386.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 3 2 341.543 3.456 20 0 EGADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127359 1384736389 /nfs/dbraw/zinc/73/63/89/1384736389.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127359 1384736391 /nfs/dbraw/zinc/73/63/91/1384736391.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 3 2 341.543 3.456 20 0 EGADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172127359 1384736394 /nfs/dbraw/zinc/73/63/94/1384736394.db2.gz IPYOTYDJGJFEHO-CZYKHXBRSA-N 3 2 341.543 3.456 20 0 EGADLP [NH3+][C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC001172162142 1384740657 /nfs/dbraw/zinc/74/06/57/1384740657.db2.gz GTGZQEYYPIJQNM-BLKABHOGSA-N 2 2 349.478 3.171 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172322273 1384769655 /nfs/dbraw/zinc/76/96/55/1384769655.db2.gz SRDOMJOAXNOPDU-ZWKOTPCHSA-N 2 2 334.504 3.202 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330833 1384771737 /nfs/dbraw/zinc/77/17/37/1384771737.db2.gz OFABGYKGBSKBFC-ZSXPUABSSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001172330833 1384771743 /nfs/dbraw/zinc/77/17/43/1384771743.db2.gz OFABGYKGBSKBFC-ZSXPUABSSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330833 1384771750 /nfs/dbraw/zinc/77/17/50/1384771750.db2.gz OFABGYKGBSKBFC-ZSXPUABSSA-N 2 2 345.531 3.429 20 0 EGADLP CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001172330833 1384771752 /nfs/dbraw/zinc/77/17/52/1384771752.db2.gz OFABGYKGBSKBFC-ZSXPUABSSA-N 2 2 345.531 3.429 20 0 EGADLP CCCC[C@@H]1C[C@H]([NH2+]CC2C[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC001172625256 1384821695 /nfs/dbraw/zinc/82/16/95/1384821695.db2.gz CXNFBQPXABXYPS-IAGOWNOFSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001172762712 1384845792 /nfs/dbraw/zinc/84/57/92/1384845792.db2.gz YTMRSEIZLKHAIK-MRXNPFEDSA-N 2 2 333.476 3.008 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001172774469 1384849427 /nfs/dbraw/zinc/84/94/27/1384849427.db2.gz BLIUXKCPMUWDHY-AABGKKOBSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001172774469 1384849430 /nfs/dbraw/zinc/84/94/30/1384849430.db2.gz BLIUXKCPMUWDHY-AABGKKOBSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804011 1384855869 /nfs/dbraw/zinc/85/58/69/1384855869.db2.gz RRXBPUUJUUUWSU-AEFFLSMTSA-N 2 2 336.520 3.447 20 0 EGADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+](C2CCCC2)C2CC[NH+](C)CC2)CC1 ZINC001172804011 1384855872 /nfs/dbraw/zinc/85/58/72/1384855872.db2.gz RRXBPUUJUUUWSU-AEFFLSMTSA-N 2 2 336.520 3.447 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([NH+](CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC001172832493 1384861648 /nfs/dbraw/zinc/86/16/48/1384861648.db2.gz WVNHINHATLJIBI-NRFANRHFSA-N 3 2 331.548 3.058 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001172860149 1384866464 /nfs/dbraw/zinc/86/64/64/1384866464.db2.gz XVPFIDIICIAFKR-BBRMVZONSA-N 2 2 340.870 3.253 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001172860149 1384866468 /nfs/dbraw/zinc/86/64/68/1384866468.db2.gz XVPFIDIICIAFKR-BBRMVZONSA-N 2 2 340.870 3.253 20 0 EGADLP CCCC[C@H](CC(C)C)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001173260493 1384945977 /nfs/dbraw/zinc/94/59/77/1384945977.db2.gz LSIHXAIOCCOVBJ-QGZVFWFLSA-N 2 2 344.507 3.334 20 0 EGADLP CCCC[C@H](CC(C)C)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001173260493 1384945980 /nfs/dbraw/zinc/94/59/80/1384945980.db2.gz LSIHXAIOCCOVBJ-QGZVFWFLSA-N 2 2 344.507 3.334 20 0 EGADLP CC[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@@H]2COC3(C2)CC[NH2+]CC3)C1 ZINC001173280477 1384950553 /nfs/dbraw/zinc/95/05/53/1384950553.db2.gz UAKOKRMKCXMHOT-KURKYZTESA-N 2 2 329.488 3.378 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001173649212 1384995177 /nfs/dbraw/zinc/99/51/77/1384995177.db2.gz MMKWPVRKVWVCFR-RBUKOAKNSA-N 2 2 348.531 3.449 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001173649212 1384995179 /nfs/dbraw/zinc/99/51/79/1384995179.db2.gz MMKWPVRKVWVCFR-RBUKOAKNSA-N 2 2 348.531 3.449 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001173651605 1384996049 /nfs/dbraw/zinc/99/60/49/1384996049.db2.gz OYWMEIHHEGUYIQ-NVXWUHKLSA-N 2 2 327.428 3.303 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3ccc4[nH+]ccn4c3)cc2Cl)CC1 ZINC001174276343 1385090499 /nfs/dbraw/zinc/09/04/99/1385090499.db2.gz BOOFVDTVQYIRIT-UHFFFAOYSA-N 2 2 341.846 3.483 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174587643 1385122958 /nfs/dbraw/zinc/12/29/58/1385122958.db2.gz GKEZFCSVPHUOGH-QGZVFWFLSA-N 2 2 334.508 3.118 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001175461029 1385298930 /nfs/dbraw/zinc/29/89/30/1385298930.db2.gz KYKGIHUNBUKAKA-IAGOWNOFSA-N 2 2 342.487 3.286 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCC(C)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873035 1385426899 /nfs/dbraw/zinc/42/68/99/1385426899.db2.gz JJHWSLSBJMRUSS-AQFXKWCLSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176351403 1385559817 /nfs/dbraw/zinc/55/98/17/1385559817.db2.gz SVVCJJNZTUBXRB-INIZCTEOSA-N 2 2 346.519 3.416 20 0 EGADLP CC[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001176828539 1385715203 /nfs/dbraw/zinc/71/52/03/1385715203.db2.gz CBFBSCAHULTFCH-PKOBYXMFSA-N 2 2 342.487 3.299 20 0 EGADLP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318743451 1385850010 /nfs/dbraw/zinc/85/00/10/1385850010.db2.gz GLNFYJGISMMNKR-VLIAUNLRSA-N 2 2 340.471 3.241 20 0 EGADLP CCCn1c2ccccc2nc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001177334265 1385917707 /nfs/dbraw/zinc/91/77/07/1385917707.db2.gz LZXHAUCVEOCVJX-UHFFFAOYSA-N 2 2 326.488 3.410 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(CCC[NH2+]C(C)C)CC2CCCC2)c[nH+]1 ZINC001177348474 1385923320 /nfs/dbraw/zinc/92/33/20/1385923320.db2.gz IVCQQHIDFDMBAN-UHFFFAOYSA-N 2 2 348.535 3.334 20 0 EGADLP CC(C)c1ccccc1C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351626 1385925374 /nfs/dbraw/zinc/92/53/74/1385925374.db2.gz KSUMCFCBSDKEDH-UHFFFAOYSA-N 2 2 342.487 3.083 20 0 EGADLP CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001177467060 1385967681 /nfs/dbraw/zinc/96/76/81/1385967681.db2.gz RULWEPGCEPKWEL-UHFFFAOYSA-N 2 2 334.508 3.094 20 0 EGADLP CC[C@@H](F)C[NH2+]CCCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001178484117 1386231481 /nfs/dbraw/zinc/23/14/81/1386231481.db2.gz PEYIFVNPGQZNCQ-QGZVFWFLSA-N 2 2 348.466 3.271 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752363 1386294330 /nfs/dbraw/zinc/29/43/30/1386294330.db2.gz ODOZKPKOQACUBG-HZPDHXFCSA-N 2 2 334.508 3.216 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752363 1386294334 /nfs/dbraw/zinc/29/43/34/1386294334.db2.gz ODOZKPKOQACUBG-HZPDHXFCSA-N 2 2 334.508 3.216 20 0 EGADLP CC/C=C/CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001178865598 1386332926 /nfs/dbraw/zinc/33/29/26/1386332926.db2.gz PIHRWSLBCGKTMJ-WHLIDYPQSA-N 2 2 346.519 3.068 20 0 EGADLP CC(C)CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178871460 1386334851 /nfs/dbraw/zinc/33/48/51/1386334851.db2.gz LROLIRKBTDXHTI-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)(C)CCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179175853 1386418249 /nfs/dbraw/zinc/41/82/49/1386418249.db2.gz DRLBBVREUNBQBI-UHFFFAOYSA-N 2 2 336.524 3.366 20 0 EGADLP CCCC[NH2+]CCCCCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001179820411 1386595794 /nfs/dbraw/zinc/59/57/94/1386595794.db2.gz QFVHSMOMPBTZKS-UHFFFAOYSA-N 2 2 344.503 3.252 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001179907083 1386624389 /nfs/dbraw/zinc/62/43/89/1386624389.db2.gz VKYRKPKGBSIKLU-MSOLQXFVSA-N 2 2 348.535 3.435 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COC1CCC(C)CC1 ZINC001321205774 1386840843 /nfs/dbraw/zinc/84/08/43/1386840843.db2.gz SXEWFWOVNLUYHA-UHFFFAOYSA-N 2 2 328.416 3.110 20 0 EGADLP Oc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001181372259 1386983287 /nfs/dbraw/zinc/98/32/87/1386983287.db2.gz HNBNKBWOXKLYBU-HDICACEKSA-N 2 2 326.415 3.095 20 0 EGADLP Oc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001181372259 1386983290 /nfs/dbraw/zinc/98/32/90/1386983290.db2.gz HNBNKBWOXKLYBU-HDICACEKSA-N 2 2 326.415 3.095 20 0 EGADLP Oc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001181372259 1386983293 /nfs/dbraw/zinc/98/32/93/1386983293.db2.gz HNBNKBWOXKLYBU-HDICACEKSA-N 2 2 326.415 3.095 20 0 EGADLP Oc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC001181372259 1386983299 /nfs/dbraw/zinc/98/32/99/1386983299.db2.gz HNBNKBWOXKLYBU-HDICACEKSA-N 2 2 326.415 3.095 20 0 EGADLP C[C@H](C[N@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217005 1387105634 /nfs/dbraw/zinc/10/56/34/1387105634.db2.gz BNENYEDKIHAWID-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217005 1387105636 /nfs/dbraw/zinc/10/56/36/1387105636.db2.gz BNENYEDKIHAWID-HUUCEWRRSA-N 2 2 348.878 3.124 20 0 EGADLP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001338019777 1389519250 /nfs/dbraw/zinc/51/92/50/1389519250.db2.gz FLSCXIYKBILXCZ-WMZOPIPTSA-N 2 2 349.544 3.218 20 0 EGADLP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001338019777 1389519253 /nfs/dbraw/zinc/51/92/53/1389519253.db2.gz FLSCXIYKBILXCZ-WMZOPIPTSA-N 2 2 349.544 3.218 20 0 EGADLP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001338019774 1389519407 /nfs/dbraw/zinc/51/94/07/1389519407.db2.gz FLSCXIYKBILXCZ-AEFFLSMTSA-N 2 2 349.544 3.218 20 0 EGADLP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001338019774 1389519409 /nfs/dbraw/zinc/51/94/09/1389519409.db2.gz FLSCXIYKBILXCZ-AEFFLSMTSA-N 2 2 349.544 3.218 20 0 EGADLP Cc1ccc([C@H](O)C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC001338418235 1389679947 /nfs/dbraw/zinc/67/99/47/1389679947.db2.gz LBKNYLKNKMMYEH-VQTJNVASSA-N 2 2 335.451 3.336 20 0 EGADLP CN(C)c1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001331669837 1389851266 /nfs/dbraw/zinc/85/12/66/1389851266.db2.gz GNXLLYQZJKSGRN-CQSZACIVSA-N 2 2 348.441 3.219 20 0 EGADLP CN(C)c1c(F)c(F)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001331669837 1389851270 /nfs/dbraw/zinc/85/12/70/1389851270.db2.gz GNXLLYQZJKSGRN-CQSZACIVSA-N 2 2 348.441 3.219 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001331761705 1389868727 /nfs/dbraw/zinc/86/87/27/1389868727.db2.gz HBPDLKVQNAVUPR-DGCLKSJQSA-N 2 2 349.828 3.365 20 0 EGADLP CN(C)c1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001331761705 1389868738 /nfs/dbraw/zinc/86/87/38/1389868738.db2.gz HBPDLKVQNAVUPR-DGCLKSJQSA-N 2 2 349.828 3.365 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)[C@H]1C ZINC001332219133 1390049510 /nfs/dbraw/zinc/04/95/10/1390049510.db2.gz MXKCEUBAZMCKFA-JKSUJKDBSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)[C@H]1C ZINC001332219133 1390049515 /nfs/dbraw/zinc/04/95/15/1390049515.db2.gz MXKCEUBAZMCKFA-JKSUJKDBSA-N 2 2 334.508 3.056 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001332270470 1390071404 /nfs/dbraw/zinc/07/14/04/1390071404.db2.gz DKEMDCZCLNVQFI-DOTOQJQBSA-N 2 2 342.487 3.487 20 0 EGADLP CN(C)c1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001333353918 1390288433 /nfs/dbraw/zinc/28/84/33/1390288433.db2.gz FVBGACKCQSFRAY-OAHLLOKOSA-N 2 2 330.451 3.080 20 0 EGADLP CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001333353918 1390288434 /nfs/dbraw/zinc/28/84/34/1390288434.db2.gz FVBGACKCQSFRAY-OAHLLOKOSA-N 2 2 330.451 3.080 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC001342503108 1390619420 /nfs/dbraw/zinc/61/94/20/1390619420.db2.gz KHZUAHQRAKXKTF-LBPRGKRZSA-N 2 2 338.249 3.230 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC001342503108 1390619425 /nfs/dbraw/zinc/61/94/25/1390619425.db2.gz KHZUAHQRAKXKTF-LBPRGKRZSA-N 2 2 338.249 3.230 20 0 EGADLP Cn1c[nH+]cc1CCCOC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001345061147 1390834148 /nfs/dbraw/zinc/83/41/48/1390834148.db2.gz WGWSNHRLJISVOL-UHFFFAOYSA-N 2 2 341.455 3.196 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480082365 1392572155 /nfs/dbraw/zinc/57/21/55/1392572155.db2.gz UZJDSPDNFBFADN-GOSISDBHSA-N 2 2 348.535 3.270 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001480082365 1392572160 /nfs/dbraw/zinc/57/21/60/1392572160.db2.gz UZJDSPDNFBFADN-GOSISDBHSA-N 2 2 348.535 3.270 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001480507219 1392773678 /nfs/dbraw/zinc/77/36/78/1392773678.db2.gz JMOSSLMJJZFKAU-HOTGVXAUSA-N 2 2 325.456 3.476 20 0 EGADLP CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001698931526 1406668841 /nfs/dbraw/zinc/66/88/41/1406668841.db2.gz MHHDHHOGCMTGLW-CABCVRRESA-N 2 2 328.460 3.049 20 0 EGADLP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001485320840 1395796180 /nfs/dbraw/zinc/79/61/80/1395796180.db2.gz UEGPFTLADBHNCG-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001485320840 1395796186 /nfs/dbraw/zinc/79/61/86/1395796186.db2.gz UEGPFTLADBHNCG-HNNXBMFYSA-N 2 2 336.439 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001485949855 1396172717 /nfs/dbraw/zinc/17/27/17/1396172717.db2.gz VISSXKDAORVFGL-CHWSQXEVSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001503290549 1396250095 /nfs/dbraw/zinc/25/00/95/1396250095.db2.gz DNELKCBXHIZSCC-LBPRGKRZSA-N 2 2 342.468 3.231 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001690040219 1404275060 /nfs/dbraw/zinc/27/50/60/1404275060.db2.gz NZGIVAGSVQSDHQ-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001690040219 1404275064 /nfs/dbraw/zinc/27/50/64/1404275064.db2.gz NZGIVAGSVQSDHQ-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001690040219 1404275069 /nfs/dbraw/zinc/27/50/69/1404275069.db2.gz NZGIVAGSVQSDHQ-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001690040219 1404275071 /nfs/dbraw/zinc/27/50/71/1404275071.db2.gz NZGIVAGSVQSDHQ-IBGZPJMESA-N 2 2 346.519 3.283 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001690592047 1404643446 /nfs/dbraw/zinc/64/34/46/1404643446.db2.gz RRFUBSQNKQOAIR-LSDHHAIUSA-N 2 2 336.439 3.340 20 0 EGADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC001732222408 1428471222 /nfs/dbraw/zinc/47/12/22/1428471222.db2.gz JQBMOOPJZLBBDE-QAPCUYQASA-N 2 2 342.487 3.321 20 0 EGADLP COC[C@@H](C)[NH2+][C@@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001700501530 1414149716 /nfs/dbraw/zinc/14/97/16/1414149716.db2.gz DVIVSQMQRGICNH-AEFFLSMTSA-N 2 2 349.519 3.118 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001700765734 1414439891 /nfs/dbraw/zinc/43/98/91/1414439891.db2.gz BOGOVZGWZQALTL-CVEARBPZSA-N 2 2 342.487 3.273 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001713376153 1417986125 /nfs/dbraw/zinc/98/61/25/1417986125.db2.gz ANNAAGPHJUZAJI-RBUKOAKNSA-N 2 2 346.519 3.261 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)CC3CCCCCC3)ccn12 ZINC001713452911 1418100094 /nfs/dbraw/zinc/10/00/94/1418100094.db2.gz HMYNPJIDLZFCAQ-UHFFFAOYSA-N 2 2 342.487 3.275 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)CC3CCCCCC3)ccn12 ZINC001713452911 1418100099 /nfs/dbraw/zinc/10/00/99/1418100099.db2.gz HMYNPJIDLZFCAQ-UHFFFAOYSA-N 2 2 342.487 3.275 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004568 1418783797 /nfs/dbraw/zinc/78/37/97/1418783797.db2.gz UDFIHSHTYLWBMJ-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714004568 1418783799 /nfs/dbraw/zinc/78/37/99/1418783799.db2.gz UDFIHSHTYLWBMJ-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004568 1418783801 /nfs/dbraw/zinc/78/38/01/1418783801.db2.gz UDFIHSHTYLWBMJ-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714004568 1418783803 /nfs/dbraw/zinc/78/38/03/1418783803.db2.gz UDFIHSHTYLWBMJ-MOPGFXCFSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001714158336 1418969553 /nfs/dbraw/zinc/96/95/53/1418969553.db2.gz ZEAYFZFNWODEPA-IRXDYDNUSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001714158336 1418969556 /nfs/dbraw/zinc/96/95/56/1418969556.db2.gz ZEAYFZFNWODEPA-IRXDYDNUSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001715269909 1419985927 /nfs/dbraw/zinc/98/59/27/1419985927.db2.gz JATPULJJIRAYTE-QWHCGFSZSA-N 2 2 348.878 3.017 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001715531971 1420222930 /nfs/dbraw/zinc/22/29/30/1420222930.db2.gz KKWSOPHUFFVTMO-INIZCTEOSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001715531971 1420222932 /nfs/dbraw/zinc/22/29/32/1420222932.db2.gz KKWSOPHUFFVTMO-INIZCTEOSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001715531971 1420222934 /nfs/dbraw/zinc/22/29/34/1420222934.db2.gz KKWSOPHUFFVTMO-INIZCTEOSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001715531971 1420222935 /nfs/dbraw/zinc/22/29/35/1420222935.db2.gz KKWSOPHUFFVTMO-INIZCTEOSA-N 2 2 348.535 3.195 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001715986516 1420444338 /nfs/dbraw/zinc/44/43/38/1420444338.db2.gz NZFODAQTYNWAPW-KRWDZBQOSA-N 2 2 348.450 3.089 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487657 1420707065 /nfs/dbraw/zinc/70/70/65/1420707065.db2.gz UYGCHKCHECXPKX-JKSUJKDBSA-N 2 2 330.476 3.067 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001716487657 1420707066 /nfs/dbraw/zinc/70/70/66/1420707066.db2.gz UYGCHKCHECXPKX-JKSUJKDBSA-N 2 2 330.476 3.067 20 0 EGADLP O=C(N[C@H](C[NH2+]CC1CCC1)C1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001716819003 1420945102 /nfs/dbraw/zinc/94/51/02/1420945102.db2.gz ORTSLYSDYMBNSI-LJQANCHMSA-N 2 2 340.471 3.241 20 0 EGADLP C[C@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001717116394 1421120337 /nfs/dbraw/zinc/12/03/37/1421120337.db2.gz UFRAPXDWWLUSKM-SDUMLFDJSA-N 2 2 346.862 3.062 20 0 EGADLP C[C@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001717116394 1421120339 /nfs/dbraw/zinc/12/03/39/1421120339.db2.gz UFRAPXDWWLUSKM-SDUMLFDJSA-N 2 2 346.862 3.062 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332299 1421267253 /nfs/dbraw/zinc/26/72/53/1421267253.db2.gz SOXVAYDVWOWQQP-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332299 1421267255 /nfs/dbraw/zinc/26/72/55/1421267255.db2.gz SOXVAYDVWOWQQP-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCC1CCCC1 ZINC001717332299 1421267256 /nfs/dbraw/zinc/26/72/56/1421267256.db2.gz SOXVAYDVWOWQQP-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCC1CCCC1 ZINC001717332299 1421267258 /nfs/dbraw/zinc/26/72/58/1421267258.db2.gz SOXVAYDVWOWQQP-AEFFLSMTSA-N 2 2 346.519 3.282 20 0 EGADLP CC[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717356969 1421292235 /nfs/dbraw/zinc/29/22/35/1421292235.db2.gz SKQVPUGHFHOTRB-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP CC[N@@H+](CCCC(C)(C)C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717356969 1421292238 /nfs/dbraw/zinc/29/22/38/1421292238.db2.gz SKQVPUGHFHOTRB-UHFFFAOYSA-N 2 2 348.535 3.339 20 0 EGADLP CCC(CC)C[N@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001717357523 1421293346 /nfs/dbraw/zinc/29/33/46/1421293346.db2.gz RJPKMAOWUZMOHJ-UHFFFAOYSA-N 2 2 348.535 3.257 20 0 EGADLP CCC(CC)C[N@@H+](CC)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001717357523 1421293347 /nfs/dbraw/zinc/29/33/47/1421293347.db2.gz RJPKMAOWUZMOHJ-UHFFFAOYSA-N 2 2 348.535 3.257 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@H]([NH2+]CC3CC3)C(C)C)ccn12 ZINC001717512608 1421449376 /nfs/dbraw/zinc/44/93/76/1421449376.db2.gz AZSPISVPENOCFR-SFHVURJKSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001723313216 1424346624 /nfs/dbraw/zinc/34/66/24/1424346624.db2.gz VIQJSWNGLCXXCQ-RDJZCZTQSA-N 2 2 342.487 3.115 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001724026434 1424634016 /nfs/dbraw/zinc/63/40/16/1424634016.db2.gz SOTBPAFHYGHXQJ-GOSISDBHSA-N 2 2 348.535 3.316 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC1CCCCCC1 ZINC001725001333 1425410929 /nfs/dbraw/zinc/41/09/29/1425410929.db2.gz HHZBLIZMZPIDAR-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC1CCCCCC1 ZINC001725001333 1425410935 /nfs/dbraw/zinc/41/09/35/1425410935.db2.gz HHZBLIZMZPIDAR-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001725512554 1426201248 /nfs/dbraw/zinc/20/12/48/1426201248.db2.gz CCMRGXMLQACMKQ-OLZOCXBDSA-N 2 2 348.878 3.112 20 0 EGADLP CCc1cccc(C[NH2+][C@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001731605753 1427650820 /nfs/dbraw/zinc/65/08/20/1427650820.db2.gz IGMLWJSJUNWHOK-MRXNPFEDSA-N 2 2 339.483 3.477 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001752301388 1440167821 /nfs/dbraw/zinc/16/78/21/1440167821.db2.gz LQSPEWMAFOEWNO-IAGOWNOFSA-N 2 2 346.519 3.262 20 0 EGADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001752301388 1440167822 /nfs/dbraw/zinc/16/78/22/1440167822.db2.gz LQSPEWMAFOEWNO-IAGOWNOFSA-N 2 2 346.519 3.262 20 0 EGADLP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001752442218 1440181574 /nfs/dbraw/zinc/18/15/74/1440181574.db2.gz QDXXDBOBSMWOFL-SFHVURJKSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508632 1440189992 /nfs/dbraw/zinc/18/99/92/1440189992.db2.gz XHXYNNODYIGZBW-OALUTQOASA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508632 1440189993 /nfs/dbraw/zinc/18/99/93/1440189993.db2.gz XHXYNNODYIGZBW-OALUTQOASA-N 2 2 346.519 3.051 20 0 EGADLP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999090 1440263807 /nfs/dbraw/zinc/26/38/07/1440263807.db2.gz SDBWWZVCXBDWHC-FDICQLOXSA-N 2 2 332.492 3.113 20 0 EGADLP CC/C=C\CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752999090 1440263808 /nfs/dbraw/zinc/26/38/08/1440263808.db2.gz SDBWWZVCXBDWHC-FDICQLOXSA-N 2 2 332.492 3.113 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2CCCC2CCC2)c[nH+]1 ZINC001753103280 1440305177 /nfs/dbraw/zinc/30/51/77/1440305177.db2.gz JZQGUGVTNLGUKH-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@H+]2CCCC2CCC2)c[nH+]1 ZINC001753103280 1440305178 /nfs/dbraw/zinc/30/51/78/1440305178.db2.gz JZQGUGVTNLGUKH-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753365789 1440385126 /nfs/dbraw/zinc/38/51/26/1440385126.db2.gz RTSTUKOOZXBZEM-OAHLLOKOSA-N 2 2 342.487 3.393 20 0 EGADLP CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001753365789 1440385127 /nfs/dbraw/zinc/38/51/27/1440385127.db2.gz RTSTUKOOZXBZEM-OAHLLOKOSA-N 2 2 342.487 3.393 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001753368278 1440386499 /nfs/dbraw/zinc/38/64/99/1440386499.db2.gz JPWGFOUNBPLBGR-SLXDBMQSSA-N 2 2 332.492 3.161 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753421042 1440395416 /nfs/dbraw/zinc/39/54/16/1440395416.db2.gz UCLXCGAEBBMBRY-ROUUACIJSA-N 2 2 340.471 3.122 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753421042 1440395417 /nfs/dbraw/zinc/39/54/17/1440395417.db2.gz UCLXCGAEBBMBRY-ROUUACIJSA-N 2 2 340.471 3.122 20 0 EGADLP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H](C)CC(C)C ZINC001753477335 1440415528 /nfs/dbraw/zinc/41/55/28/1440415528.db2.gz DRVBZPQAOOZPHD-ZBFHGGJFSA-N 2 2 330.476 3.343 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001753581264 1440440185 /nfs/dbraw/zinc/44/01/85/1440440185.db2.gz JTHUJWZCPVWAPW-IYARVYRRSA-N 2 2 348.535 3.380 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001753695542 1440467342 /nfs/dbraw/zinc/46/73/42/1440467342.db2.gz SBBVLIQZDIXIFK-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001753695542 1440467343 /nfs/dbraw/zinc/46/73/43/1440467343.db2.gz SBBVLIQZDIXIFK-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001753695544 1440467353 /nfs/dbraw/zinc/46/73/53/1440467353.db2.gz SBBVLIQZDIXIFK-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001753695544 1440467354 /nfs/dbraw/zinc/46/73/54/1440467354.db2.gz SBBVLIQZDIXIFK-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CC(C)C)C2)c(C)[nH+]1 ZINC001753796337 1440489919 /nfs/dbraw/zinc/48/99/19/1440489919.db2.gz JTXFPTNZDDMRFA-WMZOPIPTSA-N 2 2 331.504 3.493 20 0 EGADLP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001753819482 1440495337 /nfs/dbraw/zinc/49/53/37/1440495337.db2.gz UBGSSECVKJGOIQ-MAUKXSAKSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001753820349 1440495649 /nfs/dbraw/zinc/49/56/49/1440495649.db2.gz ULBFJFUPQWKWTA-QZTJIDSGSA-N 2 2 346.519 3.120 20 0 EGADLP CC(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001753820349 1440495650 /nfs/dbraw/zinc/49/56/50/1440495650.db2.gz ULBFJFUPQWKWTA-QZTJIDSGSA-N 2 2 346.519 3.120 20 0 EGADLP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001753820349 1440495651 /nfs/dbraw/zinc/49/56/51/1440495651.db2.gz ULBFJFUPQWKWTA-QZTJIDSGSA-N 2 2 346.519 3.120 20 0 EGADLP CC(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001753820349 1440495652 /nfs/dbraw/zinc/49/56/52/1440495652.db2.gz ULBFJFUPQWKWTA-QZTJIDSGSA-N 2 2 346.519 3.120 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754137723 1440543892 /nfs/dbraw/zinc/54/38/92/1440543892.db2.gz NGEITWKCOKIQLI-XVWMLYKFSA-N 2 2 328.460 3.121 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001754352603 1440591109 /nfs/dbraw/zinc/59/11/09/1440591109.db2.gz ZMDUTFNKKPUVIY-QZTJIDSGSA-N 2 2 348.535 3.364 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC001754520622 1440619693 /nfs/dbraw/zinc/61/96/93/1440619693.db2.gz ZPZMRBFNFDLIRT-MRXNPFEDSA-N 2 2 348.450 3.256 20 0 EGADLP C[C@H](CC(=O)NCC1([NH2+]CCC2CCCCCC2)CC1)n1cc[nH+]c1 ZINC001754527725 1440621596 /nfs/dbraw/zinc/62/15/96/1440621596.db2.gz RFKQLPXLGZVODR-QGZVFWFLSA-N 2 2 346.519 3.433 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001754546806 1440627925 /nfs/dbraw/zinc/62/79/25/1440627925.db2.gz UHJIJVWGMJNBBA-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001754546806 1440627926 /nfs/dbraw/zinc/62/79/26/1440627926.db2.gz UHJIJVWGMJNBBA-MOPGFXCFSA-N 2 2 346.519 3.165 20 0 EGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001754595612 1440641463 /nfs/dbraw/zinc/64/14/63/1440641463.db2.gz AKWXYBKPFIENOR-AEFFLSMTSA-N 2 2 347.503 3.182 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001754595615 1440641473 /nfs/dbraw/zinc/64/14/73/1440641473.db2.gz AKWXYBKPFIENOR-FUHWJXTLSA-N 2 2 347.503 3.182 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]C/C=C/Cl)C2)c(C)[nH+]1 ZINC001754700801 1440667831 /nfs/dbraw/zinc/66/78/31/1440667831.db2.gz KVZXHAKBVBCHJW-SUQGKYDKSA-N 2 2 335.879 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001754798119 1440689835 /nfs/dbraw/zinc/68/98/35/1440689835.db2.gz WRNNGTWNXBJUKQ-FUHWJXTLSA-N 2 2 331.504 3.493 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@@H]([NH2+]CCCC(C)C)C3)ccn12 ZINC001755108529 1440753947 /nfs/dbraw/zinc/75/39/47/1440753947.db2.gz HDNPWHNBNBWFOH-QAPCUYQASA-N 2 2 342.487 3.129 20 0 EGADLP CCC(CC)C[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001755355494 1440829285 /nfs/dbraw/zinc/82/92/85/1440829285.db2.gz HZAYJAVWQZMEIW-UHFFFAOYSA-N 2 2 334.508 3.106 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001755693878 1440897270 /nfs/dbraw/zinc/89/72/70/1440897270.db2.gz SHRBNOIPXLXAKF-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001755813534 1440921693 /nfs/dbraw/zinc/92/16/93/1440921693.db2.gz BEKUUNWMCXQURW-SFHVURJKSA-N 2 2 342.487 3.203 20 0 EGADLP CC(C)N(CC[N@@H+](C)[C@@H](C)c1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001755813534 1440921694 /nfs/dbraw/zinc/92/16/94/1440921694.db2.gz BEKUUNWMCXQURW-SFHVURJKSA-N 2 2 342.487 3.203 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001755827451 1440927689 /nfs/dbraw/zinc/92/76/89/1440927689.db2.gz LSVVYCGUBNQNJS-HZPDHXFCSA-N 2 2 348.535 3.002 20 0 EGADLP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001755849051 1440934383 /nfs/dbraw/zinc/93/43/83/1440934383.db2.gz WJYQXDKNLJLZIY-KSMVROGQSA-N 2 2 344.503 3.086 20 0 EGADLP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001755849051 1440934384 /nfs/dbraw/zinc/93/43/84/1440934384.db2.gz WJYQXDKNLJLZIY-KSMVROGQSA-N 2 2 344.503 3.086 20 0 EGADLP Cc1nc(N2CC[NH+](CCOc3ccccc3)CC2)cc(C(C)C)[nH+]1 ZINC001165042957 721952841 /nfs/dbraw/zinc/95/28/41/721952841.db2.gz UQMAVWUGHJMKEN-UHFFFAOYSA-N 2 2 340.471 3.109 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000368132071 168314623 /nfs/dbraw/zinc/31/46/23/168314623.db2.gz DFKBSPOAEYHXEV-CYBMUJFWSA-N 2 2 325.334 3.308 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000368132071 168314626 /nfs/dbraw/zinc/31/46/26/168314626.db2.gz DFKBSPOAEYHXEV-CYBMUJFWSA-N 2 2 325.334 3.308 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000368134319 168315765 /nfs/dbraw/zinc/31/57/65/168315765.db2.gz LRFGMWGZEBZEIZ-SFHVURJKSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000368134319 168315769 /nfs/dbraw/zinc/31/57/69/168315769.db2.gz LRFGMWGZEBZEIZ-SFHVURJKSA-N 2 2 348.450 3.384 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CS[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000368462818 168359918 /nfs/dbraw/zinc/35/99/18/168359918.db2.gz QLNSLHNTSHBPBK-AEFFLSMTSA-N 3 2 339.593 3.055 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cncc(Br)c1 ZINC000173961944 529931461 /nfs/dbraw/zinc/93/14/61/529931461.db2.gz DHWJCUNROFGQGS-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cncc(Br)c1 ZINC000173961944 529931462 /nfs/dbraw/zinc/93/14/62/529931462.db2.gz DHWJCUNROFGQGS-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cncc(Br)c1 ZINC000173961944 529931463 /nfs/dbraw/zinc/93/14/63/529931463.db2.gz DHWJCUNROFGQGS-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cncc(Br)c1 ZINC000173961944 529931464 /nfs/dbraw/zinc/93/14/64/529931464.db2.gz DHWJCUNROFGQGS-OAHLLOKOSA-N 2 2 326.282 3.150 20 0 EGADLP CCOC(=O)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544193 219133572 /nfs/dbraw/zinc/13/35/72/219133572.db2.gz JKYZYNIKYLYZNU-UHFFFAOYSA-N 2 2 327.428 3.038 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780575 530059163 /nfs/dbraw/zinc/05/91/63/530059163.db2.gz AJMKMMKJQHKWJU-CJNGLKHVSA-N 2 2 346.862 3.306 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780575 530059164 /nfs/dbraw/zinc/05/91/64/530059164.db2.gz AJMKMMKJQHKWJU-CJNGLKHVSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780575 530059165 /nfs/dbraw/zinc/05/91/65/530059165.db2.gz AJMKMMKJQHKWJU-CJNGLKHVSA-N 2 2 346.862 3.306 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Cl)o3)CC[C@@H]21 ZINC000158780575 530059166 /nfs/dbraw/zinc/05/91/66/530059166.db2.gz AJMKMMKJQHKWJU-CJNGLKHVSA-N 2 2 346.862 3.306 20 0 EGADLP Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000178206684 232107366 /nfs/dbraw/zinc/10/73/66/232107366.db2.gz XZCWNQRCLQFRIG-AWEZNQCLSA-N 2 2 345.512 3.443 20 0 EGADLP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000178657964 232346668 /nfs/dbraw/zinc/34/66/68/232346668.db2.gz NKOVSHURAVMNMK-UONOGXRCSA-N 2 2 326.444 3.219 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1-n1cncn1 ZINC000185681674 235722895 /nfs/dbraw/zinc/72/28/95/235722895.db2.gz JWELRDXPUPWWNS-LAUBAEHRSA-N 2 2 349.482 3.357 20 0 EGADLP COc1ccc(Br)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000036804172 213120101 /nfs/dbraw/zinc/12/01/01/213120101.db2.gz ZSOVUUSTLCIGMI-UHFFFAOYSA-N 2 2 329.282 3.135 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000130935838 223189174 /nfs/dbraw/zinc/18/91/74/223189174.db2.gz RKROLXBOEMQTQT-UHFFFAOYSA-N 2 2 336.439 3.305 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000130935838 223189177 /nfs/dbraw/zinc/18/91/77/223189177.db2.gz RKROLXBOEMQTQT-UHFFFAOYSA-N 2 2 336.439 3.305 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415035914 309115777 /nfs/dbraw/zinc/11/57/77/309115777.db2.gz JHVQMBLZXDMETN-OAHLLOKOSA-N 2 2 326.868 3.368 20 0 EGADLP CCn1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c2ccccc21 ZINC000372115838 242043247 /nfs/dbraw/zinc/04/32/47/242043247.db2.gz HBDXWLBBIBFRPY-UHFFFAOYSA-N 2 2 346.438 3.235 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000229315830 242156376 /nfs/dbraw/zinc/15/63/76/242156376.db2.gz PIIBFXUBHDHURI-OXQOHEQNSA-N 2 2 347.466 3.397 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000229315830 242156381 /nfs/dbraw/zinc/15/63/81/242156381.db2.gz PIIBFXUBHDHURI-OXQOHEQNSA-N 2 2 347.466 3.397 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355768 242161042 /nfs/dbraw/zinc/16/10/42/242161042.db2.gz QOVGPMHDQOTELA-IRXDYDNUSA-N 2 2 347.478 3.269 20 0 EGADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229355768 242161050 /nfs/dbraw/zinc/16/10/50/242161050.db2.gz QOVGPMHDQOTELA-IRXDYDNUSA-N 2 2 347.478 3.269 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H](C)c3cccnc3)c2cc1C ZINC000245623908 243137979 /nfs/dbraw/zinc/13/79/79/243137979.db2.gz OLKQRBZBXHDYCT-AEFFLSMTSA-N 2 2 338.455 3.102 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H](C)c3cccnc3)c2cc1C ZINC000245623908 243137983 /nfs/dbraw/zinc/13/79/83/243137983.db2.gz OLKQRBZBXHDYCT-AEFFLSMTSA-N 2 2 338.455 3.102 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000245695476 243143303 /nfs/dbraw/zinc/14/33/03/243143303.db2.gz BHLNKRBRJZVHNP-LMCOJAPRSA-N 2 2 346.540 3.294 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000245695476 243143317 /nfs/dbraw/zinc/14/33/17/243143317.db2.gz BHLNKRBRJZVHNP-LMCOJAPRSA-N 2 2 346.540 3.294 20 0 EGADLP [NH3+]C1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCCC1 ZINC000262633447 245079457 /nfs/dbraw/zinc/07/94/57/245079457.db2.gz HNFBXMAKLAUDPN-UHFFFAOYSA-N 2 2 338.455 3.487 20 0 EGADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000264233519 246218374 /nfs/dbraw/zinc/21/83/74/246218374.db2.gz MWRNVEVWXDBFSO-ZWKOTPCHSA-N 2 2 340.471 3.199 20 0 EGADLP Cc1ccoc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000266160644 248139134 /nfs/dbraw/zinc/13/91/34/248139134.db2.gz NGVQNUNUHXPIHA-UHFFFAOYSA-N 2 2 333.863 3.283 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000092118945 218122415 /nfs/dbraw/zinc/12/24/15/218122415.db2.gz BNVGARNCKUKAEO-ZNMIVQPWSA-N 2 2 326.444 3.287 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000092118945 218122418 /nfs/dbraw/zinc/12/24/18/218122418.db2.gz BNVGARNCKUKAEO-ZNMIVQPWSA-N 2 2 326.444 3.287 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648650 218155715 /nfs/dbraw/zinc/15/57/15/218155715.db2.gz FQJFXYMQYYCTRT-UHFFFAOYSA-N 2 2 337.370 3.330 20 0 EGADLP CC[N@H+](CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000112212157 220264106 /nfs/dbraw/zinc/26/41/06/220264106.db2.gz QGIGQAPLGJHDKV-UHFFFAOYSA-N 2 2 340.427 3.480 20 0 EGADLP CC[N@@H+](CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000112212157 220264110 /nfs/dbraw/zinc/26/41/10/220264110.db2.gz QGIGQAPLGJHDKV-UHFFFAOYSA-N 2 2 340.427 3.480 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CCC2 ZINC000095402073 218336298 /nfs/dbraw/zinc/33/62/98/218336298.db2.gz BYHYVYQZDIENBQ-AWEZNQCLSA-N 2 2 347.846 3.283 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095419957 218360649 /nfs/dbraw/zinc/36/06/49/218360649.db2.gz BXAONUHXPBFGCW-MRXNPFEDSA-N 2 2 331.423 3.413 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451755 251070527 /nfs/dbraw/zinc/07/05/27/251070527.db2.gz RRMGBYHLNDATTB-HZPDHXFCSA-N 2 2 326.444 3.031 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000267451755 251070530 /nfs/dbraw/zinc/07/05/30/251070530.db2.gz RRMGBYHLNDATTB-HZPDHXFCSA-N 2 2 326.444 3.031 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268762801 252212623 /nfs/dbraw/zinc/21/26/23/252212623.db2.gz MMCIWFWRBZZOKG-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP COc1ncccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268762801 252212626 /nfs/dbraw/zinc/21/26/26/252212626.db2.gz MMCIWFWRBZZOKG-APWZRJJASA-N 2 2 325.456 3.233 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268795676 252247444 /nfs/dbraw/zinc/24/74/44/252247444.db2.gz FYOBMDMTENMKPY-HUUCEWRRSA-N 2 2 329.448 3.152 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268815492 252267428 /nfs/dbraw/zinc/26/74/28/252267428.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268815492 252267433 /nfs/dbraw/zinc/26/74/33/252267433.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815492 252267438 /nfs/dbraw/zinc/26/74/38/252267438.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 3 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000268815492 252267443 /nfs/dbraw/zinc/26/74/43/252267443.db2.gz MDVSGSIKKKMMGU-YZGWKJHDSA-N 3 2 327.516 3.113 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCCC2)cc1 ZINC000154201129 533183740 /nfs/dbraw/zinc/18/37/40/533183740.db2.gz HAQUEIXPUHVVKD-LMNJBCLMSA-N 2 2 345.531 3.295 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCCC2)cc1 ZINC000154201129 533183745 /nfs/dbraw/zinc/18/37/45/533183745.db2.gz HAQUEIXPUHVVKD-LMNJBCLMSA-N 2 2 345.531 3.295 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@@H+]1C1CC1 ZINC000119472096 221328881 /nfs/dbraw/zinc/32/88/81/221328881.db2.gz PWPNVNOIYLKTMQ-SWLSCSKDSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[N@H+]1C1CC1 ZINC000119472096 221328882 /nfs/dbraw/zinc/32/88/82/221328882.db2.gz PWPNVNOIYLKTMQ-SWLSCSKDSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@@H+]1C1CC1 ZINC000119762247 221395025 /nfs/dbraw/zinc/39/50/25/221395025.db2.gz QKOIRAMJNDUOJP-DOMZBBRYSA-N 2 2 346.862 3.147 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[N@H+]1C1CC1 ZINC000119762247 221395028 /nfs/dbraw/zinc/39/50/28/221395028.db2.gz QKOIRAMJNDUOJP-DOMZBBRYSA-N 2 2 346.862 3.147 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[C@@H]1OC ZINC000246529282 141013988 /nfs/dbraw/zinc/01/39/88/141013988.db2.gz VHHRYDPPBWKQJG-AFYVEPGGSA-N 2 2 345.531 3.475 20 0 EGADLP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[C@@H]1OC ZINC000246529282 141013990 /nfs/dbraw/zinc/01/39/90/141013990.db2.gz VHHRYDPPBWKQJG-AFYVEPGGSA-N 2 2 345.531 3.475 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000246785252 141033924 /nfs/dbraw/zinc/03/39/24/141033924.db2.gz PIMAZCCBJWIXLT-UXHICEINSA-N 2 2 338.499 3.232 20 0 EGADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000246785252 141033926 /nfs/dbraw/zinc/03/39/26/141033926.db2.gz PIMAZCCBJWIXLT-UXHICEINSA-N 2 2 338.499 3.232 20 0 EGADLP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337896832 141070867 /nfs/dbraw/zinc/07/08/67/141070867.db2.gz MAUKIFOSEPTQHU-PZJWPPBQSA-N 2 2 337.467 3.141 20 0 EGADLP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337896832 141070869 /nfs/dbraw/zinc/07/08/69/141070869.db2.gz MAUKIFOSEPTQHU-PZJWPPBQSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337896832 141070872 /nfs/dbraw/zinc/07/08/72/141070872.db2.gz MAUKIFOSEPTQHU-PZJWPPBQSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337896832 141070874 /nfs/dbraw/zinc/07/08/74/141070874.db2.gz MAUKIFOSEPTQHU-PZJWPPBQSA-N 2 2 337.467 3.141 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000346282470 141190652 /nfs/dbraw/zinc/19/06/52/141190652.db2.gz VQHFTJVMHSXVNI-SFHVURJKSA-N 2 2 341.846 3.356 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000346282470 141190653 /nfs/dbraw/zinc/19/06/53/141190653.db2.gz VQHFTJVMHSXVNI-SFHVURJKSA-N 2 2 341.846 3.356 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348038936 141235243 /nfs/dbraw/zinc/23/52/43/141235243.db2.gz DPSTXVSFTNHPAE-HNNXBMFYSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348038936 141235244 /nfs/dbraw/zinc/23/52/44/141235244.db2.gz DPSTXVSFTNHPAE-HNNXBMFYSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348038936 141235245 /nfs/dbraw/zinc/23/52/45/141235245.db2.gz DPSTXVSFTNHPAE-HNNXBMFYSA-N 2 2 341.293 3.374 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348038936 141235246 /nfs/dbraw/zinc/23/52/46/141235246.db2.gz DPSTXVSFTNHPAE-HNNXBMFYSA-N 2 2 341.293 3.374 20 0 EGADLP Cc1ccc(CCC[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c[nH+]1 ZINC000353445041 141297200 /nfs/dbraw/zinc/29/72/00/141297200.db2.gz FYCOLPXBVXOSID-KRWDZBQOSA-N 2 2 343.515 3.293 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356839680 141351746 /nfs/dbraw/zinc/35/17/46/141351746.db2.gz FHHNWPFTVOKGNG-LLVKDONJSA-N 2 2 333.398 3.401 20 0 EGADLP Cc1nccnc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000187797427 144164486 /nfs/dbraw/zinc/16/44/86/144164486.db2.gz QXELBYCGJYQQEA-HNNXBMFYSA-N 2 2 328.435 3.239 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908036 144240515 /nfs/dbraw/zinc/24/05/15/144240515.db2.gz YKMPMMPOEDGVGY-OXJNMPFZSA-N 2 2 337.467 3.233 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344908036 144240518 /nfs/dbraw/zinc/24/05/18/144240518.db2.gz YKMPMMPOEDGVGY-OXJNMPFZSA-N 2 2 337.467 3.233 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853495 144316364 /nfs/dbraw/zinc/31/63/64/144316364.db2.gz OGZCQLJYCZTOPW-HIFRSBDPSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cs2)cc1 ZINC000351853495 144316366 /nfs/dbraw/zinc/31/63/66/144316366.db2.gz OGZCQLJYCZTOPW-HIFRSBDPSA-N 2 2 331.485 3.378 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000351877242 144319205 /nfs/dbraw/zinc/31/92/05/144319205.db2.gz BJAGOMCQQCPQOK-CXAGYDPISA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000351877242 144319206 /nfs/dbraw/zinc/31/92/06/144319206.db2.gz BJAGOMCQQCPQOK-CXAGYDPISA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000351877242 144319207 /nfs/dbraw/zinc/31/92/07/144319207.db2.gz BJAGOMCQQCPQOK-CXAGYDPISA-N 2 2 336.863 3.043 20 0 EGADLP COC(=O)c1cccc(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000351877242 144319208 /nfs/dbraw/zinc/31/92/08/144319208.db2.gz BJAGOMCQQCPQOK-CXAGYDPISA-N 2 2 336.863 3.043 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)CCC2 ZINC000361665005 144346666 /nfs/dbraw/zinc/34/66/66/144346666.db2.gz SVMVJAUTHIQCCL-LZDHAAFVSA-N 2 2 331.485 3.157 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)CCC2 ZINC000361665004 144346791 /nfs/dbraw/zinc/34/67/91/144346791.db2.gz SVMVJAUTHIQCCL-KKAKJJSRSA-N 2 2 331.485 3.157 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCCn1cc[nH+]c1 ZINC000341136738 155183644 /nfs/dbraw/zinc/18/36/44/155183644.db2.gz NJHZJMYZCRDCIB-GFCCVEGCSA-N 2 2 338.814 3.025 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341136738 155183648 /nfs/dbraw/zinc/18/36/48/155183648.db2.gz NJHZJMYZCRDCIB-GFCCVEGCSA-N 2 2 338.814 3.025 20 0 EGADLP CC(C)OCC[NH+]1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000341268577 155219417 /nfs/dbraw/zinc/21/94/17/155219417.db2.gz YWUALFBPZCBBNX-UHFFFAOYSA-N 2 2 334.508 3.270 20 0 EGADLP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)sc1C ZINC000116396086 152057355 /nfs/dbraw/zinc/05/73/55/152057355.db2.gz IMWQVFBXODIYMJ-JSGCOSHPSA-N 2 2 340.537 3.043 20 0 EGADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396059 152058305 /nfs/dbraw/zinc/05/83/05/152058305.db2.gz WOJYPDLDDAVJNV-KSSFIOAISA-N 2 2 347.503 3.172 20 0 EGADLP C[C@H]1CCC[C@](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000117763321 152114695 /nfs/dbraw/zinc/11/46/95/152114695.db2.gz XRMFMOYJPOQMOF-JXFKEZNVSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000119062996 152170983 /nfs/dbraw/zinc/17/09/83/152170983.db2.gz QCUOMSNJILFJTM-UHFFFAOYSA-N 2 2 346.519 3.086 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1OC ZINC000310716733 154141221 /nfs/dbraw/zinc/14/12/21/154141221.db2.gz WQWOVOQXSYTKEP-QFBILLFUSA-N 2 2 340.467 3.456 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1OC ZINC000310716733 154141226 /nfs/dbraw/zinc/14/12/26/154141226.db2.gz WQWOVOQXSYTKEP-QFBILLFUSA-N 2 2 340.467 3.456 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000311219572 154146131 /nfs/dbraw/zinc/14/61/31/154146131.db2.gz UDFUQNHKRQTHFZ-HXUWFJFHSA-N 2 2 342.439 3.068 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000311219572 154146135 /nfs/dbraw/zinc/14/61/35/154146135.db2.gz UDFUQNHKRQTHFZ-HXUWFJFHSA-N 2 2 342.439 3.068 20 0 EGADLP COc1ccncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311095622 154147622 /nfs/dbraw/zinc/14/76/22/154147622.db2.gz ZTHHXUVAJYAZOL-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311095622 154147625 /nfs/dbraw/zinc/14/76/25/154147625.db2.gz ZTHHXUVAJYAZOL-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311095622 154147627 /nfs/dbraw/zinc/14/76/27/154147627.db2.gz ZTHHXUVAJYAZOL-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311095622 154147634 /nfs/dbraw/zinc/14/76/34/154147634.db2.gz ZTHHXUVAJYAZOL-ICSRJNTNSA-N 2 2 337.467 3.044 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000332989389 154203665 /nfs/dbraw/zinc/20/36/65/154203665.db2.gz CLBPMDPHGUKKNU-DLBZAZTESA-N 2 2 347.507 3.014 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000336838574 154217543 /nfs/dbraw/zinc/21/75/43/154217543.db2.gz NGNKJKQEYWDHMP-CYBMUJFWSA-N 2 2 341.293 3.279 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)oc1C ZINC000337452764 154361570 /nfs/dbraw/zinc/36/15/70/154361570.db2.gz IKSAWBKCUQHTRB-JXFKEZNVSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)oc1C ZINC000337452764 154361575 /nfs/dbraw/zinc/36/15/75/154361575.db2.gz IKSAWBKCUQHTRB-JXFKEZNVSA-N 2 2 328.456 3.184 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000337499140 154384225 /nfs/dbraw/zinc/38/42/25/154384225.db2.gz KPRHEYKXSYONMU-CYBMUJFWSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000337499140 154384229 /nfs/dbraw/zinc/38/42/29/154384229.db2.gz KPRHEYKXSYONMU-CYBMUJFWSA-N 2 2 330.394 3.155 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000346916723 156196136 /nfs/dbraw/zinc/19/61/36/156196136.db2.gz SJRFKAFHGZKIOM-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP C[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000346916723 156196138 /nfs/dbraw/zinc/19/61/38/156196138.db2.gz SJRFKAFHGZKIOM-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2cn3cc(Cl)ccc3[nH+]2)o1 ZINC000349071673 156342931 /nfs/dbraw/zinc/34/29/31/156342931.db2.gz GRPBISOIMHEXLF-UHFFFAOYSA-N 2 2 346.862 3.453 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc2c(c1)OCO2 ZINC000358215839 156752949 /nfs/dbraw/zinc/75/29/49/156752949.db2.gz GYJFQRSQCMRNAP-HNNXBMFYSA-N 2 2 339.439 3.126 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)n1-c1ccccc1 ZINC000368776025 157287577 /nfs/dbraw/zinc/28/75/77/157287577.db2.gz XAKYLQKILIMWNF-PMACEKPBSA-N 2 2 325.456 3.476 20 0 EGADLP C[S@@](=O)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000121838712 162247734 /nfs/dbraw/zinc/24/77/34/162247734.db2.gz BMRVWGQAVLOKHC-CYFREDJKSA-N 2 2 339.464 3.082 20 0 EGADLP c1cnn(-c2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000128933935 162339961 /nfs/dbraw/zinc/33/99/61/162339961.db2.gz UUHUYXNYWGCVRB-UHFFFAOYSA-N 2 2 329.407 3.348 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000130659048 162375205 /nfs/dbraw/zinc/37/52/05/162375205.db2.gz KDULCNCKKBVQDX-KRWDZBQOSA-N 2 2 345.450 3.472 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000248864722 163040372 /nfs/dbraw/zinc/04/03/72/163040372.db2.gz HKBMIBAJDCQWDN-YZGWKJHDSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000248864722 163040375 /nfs/dbraw/zinc/04/03/75/163040375.db2.gz HKBMIBAJDCQWDN-YZGWKJHDSA-N 2 2 331.504 3.231 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995620 163050516 /nfs/dbraw/zinc/05/05/16/163050516.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995620 163050517 /nfs/dbraw/zinc/05/05/17/163050517.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995620 163050519 /nfs/dbraw/zinc/05/05/19/163050519.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995620 163050520 /nfs/dbraw/zinc/05/05/20/163050520.db2.gz OXUBBIYHNBLJFJ-AHSZXGJYSA-N 3 2 327.516 3.254 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000337278288 163192230 /nfs/dbraw/zinc/19/22/30/163192230.db2.gz GBAGOVNOYWCWDB-SECBINFHSA-N 2 2 342.187 3.028 20 0 EGADLP CC[NH+](CC)CCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000338283638 163206945 /nfs/dbraw/zinc/20/69/45/163206945.db2.gz RMPXPINUDXSRBV-UHFFFAOYSA-N 2 2 330.472 3.279 20 0 EGADLP CC[NH+](CC)CCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000338283638 163206946 /nfs/dbraw/zinc/20/69/46/163206946.db2.gz RMPXPINUDXSRBV-UHFFFAOYSA-N 2 2 330.472 3.279 20 0 EGADLP CCc1oc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938041 163393963 /nfs/dbraw/zinc/39/39/63/163393963.db2.gz ULYZVOGMVBBXNT-HUUCEWRRSA-N 2 2 348.487 3.371 20 0 EGADLP CCc1oc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C(=O)OC ZINC000338938041 163393966 /nfs/dbraw/zinc/39/39/66/163393966.db2.gz ULYZVOGMVBBXNT-HUUCEWRRSA-N 2 2 348.487 3.371 20 0 EGADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000359071126 287010454 /nfs/dbraw/zinc/01/04/54/287010454.db2.gz PHXXDDCXFULYPP-PPDQVPDSSA-N 2 2 341.499 3.481 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000343774708 164031929 /nfs/dbraw/zinc/03/19/29/164031929.db2.gz VQNPUBSCMHWJJQ-CQSZACIVSA-N 2 2 345.874 3.463 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000343774708 164031930 /nfs/dbraw/zinc/03/19/30/164031930.db2.gz VQNPUBSCMHWJJQ-CQSZACIVSA-N 2 2 345.874 3.463 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000344004989 164081229 /nfs/dbraw/zinc/08/12/29/164081229.db2.gz YVVXVVIZIZDVAD-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000344004989 164081231 /nfs/dbraw/zinc/08/12/31/164081231.db2.gz YVVXVVIZIZDVAD-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000344111151 164105713 /nfs/dbraw/zinc/10/57/13/164105713.db2.gz UPXCOUMJWVQHKM-ROUUACIJSA-N 2 2 331.504 3.093 20 0 EGADLP CC(C)(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000344111151 164105715 /nfs/dbraw/zinc/10/57/15/164105715.db2.gz UPXCOUMJWVQHKM-ROUUACIJSA-N 2 2 331.504 3.093 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000345924301 164296421 /nfs/dbraw/zinc/29/64/21/164296421.db2.gz GAVGPJMMRWBZSI-UHFFFAOYSA-N 2 2 342.487 3.423 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172375 164356384 /nfs/dbraw/zinc/35/63/84/164356384.db2.gz LMGWUQNQBUQMRL-CQSZACIVSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172375 164356385 /nfs/dbraw/zinc/35/63/85/164356385.db2.gz LMGWUQNQBUQMRL-CQSZACIVSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172375 164356386 /nfs/dbraw/zinc/35/63/86/164356386.db2.gz LMGWUQNQBUQMRL-CQSZACIVSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172375 164356388 /nfs/dbraw/zinc/35/63/88/164356388.db2.gz LMGWUQNQBUQMRL-CQSZACIVSA-N 3 2 345.516 3.012 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(CN3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172375 164356390 /nfs/dbraw/zinc/35/63/90/164356390.db2.gz LMGWUQNQBUQMRL-CQSZACIVSA-N 2 2 345.516 3.012 20 0 EGADLP CC(C)[N@H+]1CCc2nc(CN3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2C1 ZINC000346172375 164356391 /nfs/dbraw/zinc/35/63/91/164356391.db2.gz LMGWUQNQBUQMRL-CQSZACIVSA-N 2 2 345.516 3.012 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C1 ZINC000346556604 164396512 /nfs/dbraw/zinc/39/65/12/164396512.db2.gz LTIJSGQPCXDPER-LMMKCTJWSA-N 2 2 328.435 3.168 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000350164244 165014659 /nfs/dbraw/zinc/01/46/59/165014659.db2.gz XEEDYWMOLZYGEQ-OAHLLOKOSA-N 2 2 343.475 3.422 20 0 EGADLP C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354986458 166080757 /nfs/dbraw/zinc/08/07/57/166080757.db2.gz ZALAFFRCMWFGAT-QGZVFWFLSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354986458 166080759 /nfs/dbraw/zinc/08/07/59/166080759.db2.gz ZALAFFRCMWFGAT-QGZVFWFLSA-N 2 2 349.563 3.220 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000352052569 165211768 /nfs/dbraw/zinc/21/17/68/165211768.db2.gz MIYFTJHFFRANPW-YJBOKZPZSA-N 2 2 328.460 3.216 20 0 EGADLP C[C@H](c1ncc(C(C)(C)C)o1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355077702 166101322 /nfs/dbraw/zinc/10/13/22/166101322.db2.gz ZKYLMBRHAFMKPP-JKSUJKDBSA-N 2 2 348.535 3.133 20 0 EGADLP C[C@H](c1ncc(C(C)(C)C)o1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355077702 166101325 /nfs/dbraw/zinc/10/13/25/166101325.db2.gz ZKYLMBRHAFMKPP-JKSUJKDBSA-N 2 2 348.535 3.133 20 0 EGADLP C[C@@H]1OCC[C@@]12C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218208 166137605 /nfs/dbraw/zinc/13/76/05/166137605.db2.gz KUPRNJYINJBUPR-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1OCC[C@@]12C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)CCO2 ZINC000355218208 166137607 /nfs/dbraw/zinc/13/76/07/166137607.db2.gz KUPRNJYINJBUPR-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1OCC[C@@]12C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CCO2 ZINC000355218208 166137610 /nfs/dbraw/zinc/13/76/10/166137610.db2.gz KUPRNJYINJBUPR-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@@H]1OCC[C@@]12C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CCO2 ZINC000355218208 166137613 /nfs/dbraw/zinc/13/76/13/166137613.db2.gz KUPRNJYINJBUPR-GHTZIAJQSA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667704 166278766 /nfs/dbraw/zinc/27/87/66/166278766.db2.gz YJEVUASWZCLGLI-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667704 166278767 /nfs/dbraw/zinc/27/87/67/166278767.db2.gz YJEVUASWZCLGLI-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667704 166278769 /nfs/dbraw/zinc/27/87/69/166278769.db2.gz YJEVUASWZCLGLI-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@]2(CCOC2)O1 ZINC000355667704 166278771 /nfs/dbraw/zinc/27/87/71/166278771.db2.gz YJEVUASWZCLGLI-RXVVDRJESA-N 2 2 346.515 3.024 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355752363 166297873 /nfs/dbraw/zinc/29/78/73/166297873.db2.gz NRLFWGXAPVNDDA-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355752363 166297877 /nfs/dbraw/zinc/29/78/77/166297877.db2.gz NRLFWGXAPVNDDA-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000355752363 166297879 /nfs/dbraw/zinc/29/78/79/166297879.db2.gz NRLFWGXAPVNDDA-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000355752363 166297882 /nfs/dbraw/zinc/29/78/82/166297882.db2.gz NRLFWGXAPVNDDA-OLZOCXBDSA-N 2 2 341.858 3.080 20 0 EGADLP CCN(CCC[NH+](C)C)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000355955365 166358461 /nfs/dbraw/zinc/35/84/61/166358461.db2.gz CXLBMPFBVDSVHA-UHFFFAOYSA-N 2 2 342.487 3.104 20 0 EGADLP CO[C@H]1CC[N@H+](CCCOc2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000359052910 167051536 /nfs/dbraw/zinc/05/15/36/167051536.db2.gz HCWNJSTXNMFDDN-MOPGFXCFSA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCOc2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000359052910 167051540 /nfs/dbraw/zinc/05/15/40/167051540.db2.gz HCWNJSTXNMFDDN-MOPGFXCFSA-N 2 2 328.456 3.047 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000359270472 167112277 /nfs/dbraw/zinc/11/22/77/167112277.db2.gz DZVOGURCABCSSN-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)Cc1ccccc1 ZINC000359270472 167112280 /nfs/dbraw/zinc/11/22/80/167112280.db2.gz DZVOGURCABCSSN-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359304444 167120135 /nfs/dbraw/zinc/12/01/35/167120135.db2.gz GYVAIULXVQGWPM-AEFFLSMTSA-N 2 2 349.500 3.257 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)nnn1-c1ccccc1 ZINC000359446187 167158174 /nfs/dbraw/zinc/15/81/74/167158174.db2.gz YRBKTZNBLIYWRZ-IRXDYDNUSA-N 2 2 341.503 3.491 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)nnn1-c1ccccc1 ZINC000359446187 167158177 /nfs/dbraw/zinc/15/81/77/167158177.db2.gz YRBKTZNBLIYWRZ-IRXDYDNUSA-N 2 2 341.503 3.491 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)nnn1-c1ccccc1 ZINC000360433727 167326918 /nfs/dbraw/zinc/32/69/18/167326918.db2.gz NQFXISAXVXPIIV-OAHLLOKOSA-N 2 2 339.487 3.101 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000365834767 168049909 /nfs/dbraw/zinc/04/99/09/168049909.db2.gz SSPLHJLCBIPCHT-CQSZACIVSA-N 2 2 339.418 3.329 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000365834767 168049912 /nfs/dbraw/zinc/04/99/12/168049912.db2.gz SSPLHJLCBIPCHT-CQSZACIVSA-N 2 2 339.418 3.329 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCCn3cc[nH+]c31)CC2 ZINC000366450146 168122488 /nfs/dbraw/zinc/12/24/88/168122488.db2.gz OUYLNRWFLDHOOS-ZBFHGGJFSA-N 2 2 327.428 3.055 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000366696902 168129470 /nfs/dbraw/zinc/12/94/70/168129470.db2.gz GHGPDVMGVJJBQQ-UHFFFAOYSA-N 3 2 326.488 3.306 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000366696902 168129471 /nfs/dbraw/zinc/12/94/71/168129471.db2.gz GHGPDVMGVJJBQQ-UHFFFAOYSA-N 3 2 326.488 3.306 20 0 EGADLP COCc1cc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC ZINC000367434967 168224782 /nfs/dbraw/zinc/22/47/82/168224782.db2.gz AKLGCFYYQDLFET-AWEZNQCLSA-N 2 2 329.444 3.225 20 0 EGADLP C[C@H]([NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000367753076 168266653 /nfs/dbraw/zinc/26/66/53/168266653.db2.gz JURCPEAOBOCFCE-INIZCTEOSA-N 2 2 331.504 3.444 20 0 EGADLP CC(C)n1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367967107 168290522 /nfs/dbraw/zinc/29/05/22/168290522.db2.gz SYQNJDFTKJJUMP-NHCUHLMSSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367967107 168290524 /nfs/dbraw/zinc/29/05/24/168290524.db2.gz SYQNJDFTKJJUMP-NHCUHLMSSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367967107 168290527 /nfs/dbraw/zinc/29/05/27/168290527.db2.gz SYQNJDFTKJJUMP-NHCUHLMSSA-N 2 2 338.499 3.418 20 0 EGADLP CC(C)n1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367967107 168290529 /nfs/dbraw/zinc/29/05/29/168290529.db2.gz SYQNJDFTKJJUMP-NHCUHLMSSA-N 2 2 338.499 3.418 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccnc1Cl ZINC000163707921 226009909 /nfs/dbraw/zinc/00/99/09/226009909.db2.gz VZGPCHUXSMPODC-HNNXBMFYSA-N 2 2 345.874 3.418 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000194078203 266088466 /nfs/dbraw/zinc/08/84/66/266088466.db2.gz RPKSUSDIWWYLEW-YHUYVZNPSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[N@H+]1Cc1ccccc1 ZINC000194078203 266088469 /nfs/dbraw/zinc/08/84/69/266088469.db2.gz RPKSUSDIWWYLEW-YHUYVZNPSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000235485143 266207901 /nfs/dbraw/zinc/20/79/01/266207901.db2.gz OSUKHZWFPLZSIG-CHWSQXEVSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000235485143 266207903 /nfs/dbraw/zinc/20/79/03/266207903.db2.gz OSUKHZWFPLZSIG-CHWSQXEVSA-N 2 2 325.294 3.452 20 0 EGADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237880364 266248981 /nfs/dbraw/zinc/24/89/81/266248981.db2.gz VRYISBRXVFBXAL-GOEBONIOSA-N 2 2 330.407 3.248 20 0 EGADLP OC[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000269979060 266394458 /nfs/dbraw/zinc/39/44/58/266394458.db2.gz NSEWVGAIDMCVHF-HXUWFJFHSA-N 2 2 348.450 3.040 20 0 EGADLP OC[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000269979060 266394460 /nfs/dbraw/zinc/39/44/60/266394460.db2.gz NSEWVGAIDMCVHF-HXUWFJFHSA-N 2 2 348.450 3.040 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000272272313 266806762 /nfs/dbraw/zinc/80/67/62/266806762.db2.gz NVYAXRCWCKNNHM-OCCSQVGLSA-N 2 2 345.830 3.337 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000275307756 267344586 /nfs/dbraw/zinc/34/45/86/267344586.db2.gz QVXKWPIHGXMTHC-UHFFFAOYSA-N 2 2 329.488 3.047 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000275541784 267379350 /nfs/dbraw/zinc/37/93/50/267379350.db2.gz MRVABSDQNSFFJL-SWLSCSKDSA-N 2 2 334.489 3.184 20 0 EGADLP C[NH+](C)CCc1ccccc1NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000275631097 267396522 /nfs/dbraw/zinc/39/65/22/267396522.db2.gz KQKSRFMMGCRDTE-KRWDZBQOSA-N 2 2 341.459 3.273 20 0 EGADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000367085940 274101487 /nfs/dbraw/zinc/10/14/87/274101487.db2.gz IHRMUIKHRNSEMO-YOEHRIQHSA-N 2 2 329.419 3.494 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)CC3 ZINC000123361965 274120595 /nfs/dbraw/zinc/12/05/95/274120595.db2.gz LYPFWOHWRHGJJX-RBSFLKMASA-N 2 2 339.483 3.249 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)CC3 ZINC000123361965 274120596 /nfs/dbraw/zinc/12/05/96/274120596.db2.gz LYPFWOHWRHGJJX-RBSFLKMASA-N 2 2 339.483 3.249 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCn3cc(C)[nH+]c31)CC2 ZINC000338186193 274127306 /nfs/dbraw/zinc/12/73/06/274127306.db2.gz NDIQMUFLDFTMCG-FUHWJXTLSA-N 2 2 325.456 3.225 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268811109 274233229 /nfs/dbraw/zinc/23/32/29/274233229.db2.gz KRJPLUKKJQGCQV-BONVTDFDSA-N 2 2 338.224 3.450 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000245588039 274302581 /nfs/dbraw/zinc/30/25/81/274302581.db2.gz KFQXHLNMAQDQRB-IUODEOHRSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000245588039 274302583 /nfs/dbraw/zinc/30/25/83/274302583.db2.gz KFQXHLNMAQDQRB-IUODEOHRSA-N 2 2 335.249 3.124 20 0 EGADLP Cn1c2c(cccc2F)[nH+]c1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000337001879 274887837 /nfs/dbraw/zinc/88/78/37/274887837.db2.gz VCNFNMHZHGFAOO-CYBMUJFWSA-N 2 2 339.418 3.239 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C3CC3)C3CCCC3)c2cc1C ZINC000103466031 275162627 /nfs/dbraw/zinc/16/26/27/275162627.db2.gz RVTIBEHUSCOZIN-GOSISDBHSA-N 2 2 327.472 3.421 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C3CC3)C3CCCC3)c2cc1C ZINC000103466031 275162628 /nfs/dbraw/zinc/16/26/28/275162628.db2.gz RVTIBEHUSCOZIN-GOSISDBHSA-N 2 2 327.472 3.421 20 0 EGADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(OC)c1 ZINC000278769500 275273270 /nfs/dbraw/zinc/27/32/70/275273270.db2.gz UNSUWAAMBROPFE-UHFFFAOYSA-N 2 2 342.439 3.451 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000278804215 275276218 /nfs/dbraw/zinc/27/62/18/275276218.db2.gz YADLAYJYSMZWPI-UHFFFAOYSA-N 2 2 342.487 3.464 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cnn1C(C)(C)C ZINC000278900005 275285837 /nfs/dbraw/zinc/28/58/37/275285837.db2.gz FSHRWRXGVLXLAK-JCKWVBRZSA-N 2 2 345.491 3.251 20 0 EGADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000279638574 275345904 /nfs/dbraw/zinc/34/59/04/275345904.db2.gz ALZCPQIELSQTGA-UWJYYQICSA-N 2 2 339.483 3.412 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279718025 275352795 /nfs/dbraw/zinc/35/27/95/275352795.db2.gz UMNPVIOIXHBAHO-AWEZNQCLSA-N 2 2 325.391 3.114 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279718025 275352796 /nfs/dbraw/zinc/35/27/96/275352796.db2.gz UMNPVIOIXHBAHO-AWEZNQCLSA-N 2 2 325.391 3.114 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000285421041 275874142 /nfs/dbraw/zinc/87/41/42/275874142.db2.gz JTDCUSHCUFCZPF-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP Cc1cccc(CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000287502917 276126075 /nfs/dbraw/zinc/12/60/75/276126075.db2.gz NUTBPYSGXHAAPQ-UHFFFAOYSA-N 2 2 329.410 3.329 20 0 EGADLP Fc1cc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)ccc1-n1cc[nH+]c1 ZINC000287781822 276156665 /nfs/dbraw/zinc/15/66/65/276156665.db2.gz SEBKRQDOBNFYNL-WFASDCNBSA-N 2 2 343.324 3.211 20 0 EGADLP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000287810323 276159606 /nfs/dbraw/zinc/15/96/06/276159606.db2.gz PBCSSPPEKLTNDM-WMZOPIPTSA-N 2 2 345.874 3.072 20 0 EGADLP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000287810323 276159607 /nfs/dbraw/zinc/15/96/07/276159607.db2.gz PBCSSPPEKLTNDM-WMZOPIPTSA-N 2 2 345.874 3.072 20 0 EGADLP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000289185328 276301451 /nfs/dbraw/zinc/30/14/51/276301451.db2.gz IPRFUYFCGDDGOO-SFHVURJKSA-N 2 2 345.487 3.115 20 0 EGADLP C[NH+](C)CCN(Cc1ccco1)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000289484112 276346060 /nfs/dbraw/zinc/34/60/60/276346060.db2.gz QVNFRMHLOVRYBH-UHFFFAOYSA-N 2 2 332.835 3.145 20 0 EGADLP C[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)OCCc2sccc21 ZINC000289973869 276427807 /nfs/dbraw/zinc/42/78/07/276427807.db2.gz XOQGGVRERWSCSA-LJQANCHMSA-N 2 2 343.496 3.190 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC000344541581 277194403 /nfs/dbraw/zinc/19/44/03/277194403.db2.gz VLYPBDZDIPVKQJ-UHFFFAOYSA-N 2 2 338.536 3.205 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301646 277275721 /nfs/dbraw/zinc/27/57/21/277275721.db2.gz HCVHKJVSMQMXPV-SJLPKXTDSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301646 277275722 /nfs/dbraw/zinc/27/57/22/277275722.db2.gz HCVHKJVSMQMXPV-SJLPKXTDSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000375301646 277275724 /nfs/dbraw/zinc/27/57/24/277275724.db2.gz HCVHKJVSMQMXPV-SJLPKXTDSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000375301646 277275726 /nfs/dbraw/zinc/27/57/26/277275726.db2.gz HCVHKJVSMQMXPV-SJLPKXTDSA-N 2 2 328.504 3.223 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839009 278162079 /nfs/dbraw/zinc/16/20/79/278162079.db2.gz OQDRCUYGQFSUDK-XLIONFOSSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000370839009 278162080 /nfs/dbraw/zinc/16/20/80/278162080.db2.gz OQDRCUYGQFSUDK-XLIONFOSSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246915801 278205558 /nfs/dbraw/zinc/20/55/58/278205558.db2.gz SEQPLZJMBHOGDL-XKRKNNOESA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246915801 278205559 /nfs/dbraw/zinc/20/55/59/278205559.db2.gz SEQPLZJMBHOGDL-XKRKNNOESA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246915801 278205560 /nfs/dbraw/zinc/20/55/60/278205560.db2.gz SEQPLZJMBHOGDL-XKRKNNOESA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246915801 278205561 /nfs/dbraw/zinc/20/55/61/278205561.db2.gz SEQPLZJMBHOGDL-XKRKNNOESA-N 2 2 347.547 3.019 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745057 278307698 /nfs/dbraw/zinc/30/76/98/278307698.db2.gz WDDOVLLUOSPYIS-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745057 278307699 /nfs/dbraw/zinc/30/76/99/278307699.db2.gz WDDOVLLUOSPYIS-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745057 278307700 /nfs/dbraw/zinc/30/77/00/278307700.db2.gz WDDOVLLUOSPYIS-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](c1ccc(F)c(F)c1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343745057 278307701 /nfs/dbraw/zinc/30/77/01/278307701.db2.gz WDDOVLLUOSPYIS-HUUCEWRRSA-N 2 2 337.458 3.126 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341683784 279264274 /nfs/dbraw/zinc/26/42/74/279264274.db2.gz NAEKYMZAMXDOKS-RHSMWYFYSA-N 2 2 338.879 3.254 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000375246112 303028673 /nfs/dbraw/zinc/02/86/73/303028673.db2.gz XEVXOQQKMXAAKN-YBSITQRDSA-N 2 2 346.519 3.182 20 0 EGADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccn(C)n1 ZINC000414120776 309062212 /nfs/dbraw/zinc/06/22/12/309062212.db2.gz YLYYHZUBOGIXLG-ULQDDVLXSA-N 2 2 326.488 3.227 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000414131117 309062647 /nfs/dbraw/zinc/06/26/47/309062647.db2.gz XKMKIZZLMARSJO-IAGOWNOFSA-N 2 2 327.472 3.131 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000414131117 309062648 /nfs/dbraw/zinc/06/26/48/309062648.db2.gz XKMKIZZLMARSJO-IAGOWNOFSA-N 2 2 327.472 3.131 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153154064 307767119 /nfs/dbraw/zinc/76/71/19/307767119.db2.gz MACDPAMLJWSMSH-PBHICJAKSA-N 2 2 338.879 3.112 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)n1C ZINC000414309969 309072106 /nfs/dbraw/zinc/07/21/06/309072106.db2.gz SIJDLCNIUPINIM-UHFFFAOYSA-N 2 2 327.259 3.125 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)n1C ZINC000414342844 309074185 /nfs/dbraw/zinc/07/41/85/309074185.db2.gz AEJCGJVWKPMWPY-QGZVFWFLSA-N 2 2 348.466 3.209 20 0 EGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414375557 309076421 /nfs/dbraw/zinc/07/64/21/309076421.db2.gz FONMINALAKDRFQ-HNNXBMFYSA-N 2 2 330.476 3.262 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249171014 308020790 /nfs/dbraw/zinc/02/07/90/308020790.db2.gz BLYMLGQPMFYQLY-CRAIPNDOSA-N 2 2 330.451 3.492 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000249171014 308020792 /nfs/dbraw/zinc/02/07/92/308020792.db2.gz BLYMLGQPMFYQLY-CRAIPNDOSA-N 2 2 330.451 3.492 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534112 308139499 /nfs/dbraw/zinc/13/94/99/308139499.db2.gz CEMJAEBKGCOSET-SFHVURJKSA-N 2 2 330.501 3.191 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534112 308139500 /nfs/dbraw/zinc/13/95/00/308139500.db2.gz CEMJAEBKGCOSET-SFHVURJKSA-N 2 2 330.501 3.191 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534112 308139501 /nfs/dbraw/zinc/13/95/01/308139501.db2.gz CEMJAEBKGCOSET-SFHVURJKSA-N 2 2 330.501 3.191 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)C1 ZINC000293534112 308139502 /nfs/dbraw/zinc/13/95/02/308139502.db2.gz CEMJAEBKGCOSET-SFHVURJKSA-N 2 2 330.501 3.191 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293716429 308155595 /nfs/dbraw/zinc/15/55/95/308155595.db2.gz MHADAFACSCCCLF-GDBMZVCRSA-N 2 2 333.505 3.200 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293716429 308155596 /nfs/dbraw/zinc/15/55/96/308155596.db2.gz MHADAFACSCCCLF-GDBMZVCRSA-N 2 2 333.505 3.200 20 0 EGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294182156 308197962 /nfs/dbraw/zinc/19/79/62/308197962.db2.gz NRNGPHJJVROMJQ-GDBMZVCRSA-N 2 2 328.460 3.124 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1Cl ZINC000294884531 308267477 /nfs/dbraw/zinc/26/74/77/308267477.db2.gz FTNYUZVRGJKHHO-CQSZACIVSA-N 2 2 336.863 3.044 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1Cl ZINC000294884531 308267478 /nfs/dbraw/zinc/26/74/78/308267478.db2.gz FTNYUZVRGJKHHO-CQSZACIVSA-N 2 2 336.863 3.044 20 0 EGADLP CC[N@@H+](Cc1cc(F)ncc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294972546 308277895 /nfs/dbraw/zinc/27/78/95/308277895.db2.gz WXLJAGRQWBYLSM-UHFFFAOYSA-N 2 2 346.425 3.493 20 0 EGADLP CC[N@H+](Cc1cc(F)ncc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000294972546 308277896 /nfs/dbraw/zinc/27/78/96/308277896.db2.gz WXLJAGRQWBYLSM-UHFFFAOYSA-N 2 2 346.425 3.493 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000295158615 308297665 /nfs/dbraw/zinc/29/76/65/308297665.db2.gz RYGJMFRGTQDOPJ-CQSZACIVSA-N 2 2 332.448 3.117 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1F ZINC000295859080 308368051 /nfs/dbraw/zinc/36/80/51/308368051.db2.gz GLASQTODZOOHBZ-BLLLJJGKSA-N 2 2 325.391 3.312 20 0 EGADLP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[NH2+]C(C)(C)C ZINC000414703811 309096189 /nfs/dbraw/zinc/09/61/89/309096189.db2.gz MGJLWNZNSLLGES-UHFFFAOYSA-N 2 2 332.467 3.468 20 0 EGADLP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC[NH2+]C(C)(C)C ZINC000414703811 309096190 /nfs/dbraw/zinc/09/61/90/309096190.db2.gz MGJLWNZNSLLGES-UHFFFAOYSA-N 2 2 332.467 3.468 20 0 EGADLP CCOc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414659510 309094238 /nfs/dbraw/zinc/09/42/38/309094238.db2.gz NELBOMMBVLIIGZ-INIZCTEOSA-N 2 2 328.456 3.443 20 0 EGADLP CCOc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1OCc1ccccc1 ZINC000414659510 309094239 /nfs/dbraw/zinc/09/42/39/309094239.db2.gz NELBOMMBVLIIGZ-INIZCTEOSA-N 2 2 328.456 3.443 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414769904 309099751 /nfs/dbraw/zinc/09/97/51/309099751.db2.gz ODEVZDFVVUYBME-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000414769904 309099752 /nfs/dbraw/zinc/09/97/52/309099752.db2.gz ODEVZDFVVUYBME-VQIMIIECSA-N 2 2 325.456 3.220 20 0 EGADLP COCc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000297745268 308560580 /nfs/dbraw/zinc/56/05/80/308560580.db2.gz TZOUHADCFUXJRG-HOTGVXAUSA-N 2 2 343.471 3.067 20 0 EGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414791959 309101705 /nfs/dbraw/zinc/10/17/05/309101705.db2.gz BQIBFMZPGAZNNS-LPHOPBHVSA-N 3 2 335.923 3.412 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298387376 308609655 /nfs/dbraw/zinc/60/96/55/308609655.db2.gz RYSPEELSWPUZNC-UHFFFAOYSA-N 2 2 347.422 3.115 20 0 EGADLP CCC([NH3+])(CC)C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000414810867 309102965 /nfs/dbraw/zinc/10/29/65/309102965.db2.gz OWRZJLUKORAXSA-UHFFFAOYSA-N 2 2 328.382 3.199 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414835524 309104594 /nfs/dbraw/zinc/10/45/94/309104594.db2.gz DDKXELCLIKLMDT-UHFFFAOYSA-N 2 2 327.266 3.209 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000301519135 308703582 /nfs/dbraw/zinc/70/35/82/308703582.db2.gz HEPRSGXNIVLMAF-SJORKVTESA-N 2 2 325.460 3.440 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000414839607 309104807 /nfs/dbraw/zinc/10/48/07/309104807.db2.gz GERDHMOVNHQWBZ-IBGZPJMESA-N 2 2 345.531 3.437 20 0 EGADLP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)c1OC(F)F ZINC000414821387 309103733 /nfs/dbraw/zinc/10/37/33/309103733.db2.gz CCJSMMGVUPTGJG-LBPRGKRZSA-N 2 2 349.219 3.201 20 0 EGADLP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c(SC)cc1OC ZINC000414841550 309105005 /nfs/dbraw/zinc/10/50/05/309105005.db2.gz NKUSABYPMVKSMP-OAHLLOKOSA-N 2 2 338.517 3.423 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1nc2c(s1)CCCC2 ZINC000333260955 308854850 /nfs/dbraw/zinc/85/48/50/308854850.db2.gz MBPXNHPFSGIFST-ZENOOKHLSA-N 2 2 346.500 3.326 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000354474555 308887430 /nfs/dbraw/zinc/88/74/30/308887430.db2.gz KGKYOQUZZDZGAF-LYGPFTKASA-N 2 2 333.476 3.171 20 0 EGADLP c1ccc(CC[NH+]2CCC(Nc3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000413092671 309015676 /nfs/dbraw/zinc/01/56/76/309015676.db2.gz MMCRQBPAWLFUTL-UHFFFAOYSA-N 2 2 337.471 3.170 20 0 EGADLP c1ccc(CC[NH+]2CCC(Nc3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000413092671 309015677 /nfs/dbraw/zinc/01/56/77/309015677.db2.gz MMCRQBPAWLFUTL-UHFFFAOYSA-N 2 2 337.471 3.170 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC1([NH3+])CCC1 ZINC000414869168 309106401 /nfs/dbraw/zinc/10/64/01/309106401.db2.gz AGZWQYFKTCVAPB-UHFFFAOYSA-N 2 2 332.879 3.173 20 0 EGADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414867635 309106444 /nfs/dbraw/zinc/10/64/44/309106444.db2.gz GUADULQQRRDFSA-WBMJQRKESA-N 2 2 349.272 3.321 20 0 EGADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414880238 309106948 /nfs/dbraw/zinc/10/69/48/309106948.db2.gz JWUZPPPGCTVPFO-IBGZPJMESA-N 2 2 332.451 3.299 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414965021 309111942 /nfs/dbraw/zinc/11/19/42/309111942.db2.gz VMQAUWFYQHKYSH-SECBINFHSA-N 2 2 337.208 3.138 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000414977846 309112550 /nfs/dbraw/zinc/11/25/50/309112550.db2.gz SEYXLAQCUOWBMF-INIZCTEOSA-N 2 2 331.485 3.200 20 0 EGADLP CCCOc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)ccc1OC ZINC000415052675 309116712 /nfs/dbraw/zinc/11/67/12/309116712.db2.gz NLGDDIXGIFHQSS-RBUKOAKNSA-N 2 2 340.467 3.329 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065203 309117928 /nfs/dbraw/zinc/11/79/28/309117928.db2.gz MIBYLPMHNXWCOO-CQSZACIVSA-N 2 2 340.393 3.199 20 0 EGADLP Brc1ccc(-c2c[nH]c(C[NH2+]CCC[NH2+]C3CC3)n2)cc1 ZINC000415069948 309118184 /nfs/dbraw/zinc/11/81/84/309118184.db2.gz PRIJADQPORNDKS-UHFFFAOYSA-N 2 2 349.276 3.071 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071263 309118394 /nfs/dbraw/zinc/11/83/94/309118394.db2.gz WIMCCCZLGBHSTB-IBGZPJMESA-N 2 2 325.456 3.364 20 0 EGADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)n2)cc1 ZINC000415107910 309120811 /nfs/dbraw/zinc/12/08/11/309120811.db2.gz ODXNGIFVEBFHTB-DLBZAZTESA-N 2 2 342.487 3.281 20 0 EGADLP C[C@@H]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C[NH3+])C1 ZINC000415184770 309125281 /nfs/dbraw/zinc/12/52/81/309125281.db2.gz KHEDYJMMCMKARE-GDBMZVCRSA-N 2 2 340.427 3.465 20 0 EGADLP C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415187920 309125400 /nfs/dbraw/zinc/12/54/00/309125400.db2.gz QHQUHGHEHLUXOX-OAHLLOKOSA-N 2 2 326.400 3.090 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c[nH+]c1N1CCCC[C@H]1C ZINC000415439984 309133451 /nfs/dbraw/zinc/13/34/51/309133451.db2.gz DYXCLAFKEOVPRE-BZUAXINKSA-N 2 2 345.491 3.018 20 0 EGADLP C[C@@H](CCC[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415599351 309138125 /nfs/dbraw/zinc/13/81/25/309138125.db2.gz QOQHUGLCMYPYPH-AWEZNQCLSA-N 2 2 341.459 3.135 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417790179 309222338 /nfs/dbraw/zinc/22/23/38/309222338.db2.gz IADYVLBREGYFCX-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417790179 309222339 /nfs/dbraw/zinc/22/23/39/309222339.db2.gz IADYVLBREGYFCX-HKUYNNGSSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1c[nH+]cc1C[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000418035018 309232458 /nfs/dbraw/zinc/23/24/58/309232458.db2.gz DXKIJHJJHNXMEV-CQSZACIVSA-N 2 2 347.768 3.398 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)n1C ZINC000419728299 309271422 /nfs/dbraw/zinc/27/14/22/309271422.db2.gz MTLOXRNFAQHSIX-UHFFFAOYSA-N 2 2 328.391 3.175 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000420282986 309279180 /nfs/dbraw/zinc/27/91/80/309279180.db2.gz BNHIDWQXMCAZAI-MOPGFXCFSA-N 2 2 344.499 3.208 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)CCC2)c1 ZINC000420282986 309279181 /nfs/dbraw/zinc/27/91/81/309279181.db2.gz BNHIDWQXMCAZAI-MOPGFXCFSA-N 2 2 344.499 3.208 20 0 EGADLP CCc1cccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420315477 309281596 /nfs/dbraw/zinc/28/15/96/309281596.db2.gz RMQRCAIDRNIJCJ-LJQANCHMSA-N 2 2 338.499 3.127 20 0 EGADLP CCc1cccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420315477 309281597 /nfs/dbraw/zinc/28/15/97/309281597.db2.gz RMQRCAIDRNIJCJ-LJQANCHMSA-N 2 2 338.499 3.127 20 0 EGADLP C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000420328183 309282492 /nfs/dbraw/zinc/28/24/92/309282492.db2.gz DXYZLAMAPOYWKI-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000420328183 309282493 /nfs/dbraw/zinc/28/24/93/309282493.db2.gz DXYZLAMAPOYWKI-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000420360353 309284024 /nfs/dbraw/zinc/28/40/24/309284024.db2.gz LYNBTAULSWUJJA-IBGZPJMESA-N 2 2 325.456 3.276 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420358662 309284061 /nfs/dbraw/zinc/28/40/61/309284061.db2.gz FSQPQJADNGFWQF-MUQADHOPSA-N 2 2 331.504 3.422 20 0 EGADLP CC(C)c1ccc(-c2noc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)n2)cc1 ZINC000420359199 309284137 /nfs/dbraw/zinc/28/41/37/309284137.db2.gz JNKVXYPZDDUHRV-INIZCTEOSA-N 2 2 328.460 3.338 20 0 EGADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420366814 309284696 /nfs/dbraw/zinc/28/46/96/309284696.db2.gz MMCVBCTVNIZTJY-MCYUEQNJSA-N 2 2 343.393 3.009 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420371000 309284775 /nfs/dbraw/zinc/28/47/75/309284775.db2.gz WNKPEMGEGVQVFP-QAPCUYQASA-N 2 2 333.520 3.025 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)cc1 ZINC000420371760 309284789 /nfs/dbraw/zinc/28/47/89/309284789.db2.gz DNQORMMCLURRAC-WMLDXEAASA-N 2 2 328.460 3.277 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)n2)cc1 ZINC000420371760 309284790 /nfs/dbraw/zinc/28/47/90/309284790.db2.gz DNQORMMCLURRAC-WMLDXEAASA-N 2 2 328.460 3.277 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000420373477 309285012 /nfs/dbraw/zinc/28/50/12/309285012.db2.gz ZHMFKZOOLLQFAZ-SFHVURJKSA-N 2 2 341.455 3.380 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416896 309287134 /nfs/dbraw/zinc/28/71/34/309287134.db2.gz WAGVTKBTEIHGAF-UMVBOHGHSA-N 2 2 348.878 3.292 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416896 309287135 /nfs/dbraw/zinc/28/71/35/309287135.db2.gz WAGVTKBTEIHGAF-UMVBOHGHSA-N 2 2 348.878 3.292 20 0 EGADLP COCc1cc(NC2CCC([NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000420628470 309290804 /nfs/dbraw/zinc/29/08/04/309290804.db2.gz PHRNGIRTFQDBCV-UHFFFAOYSA-N 2 2 331.435 3.227 20 0 EGADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1F ZINC000420902786 309300014 /nfs/dbraw/zinc/30/00/14/309300014.db2.gz NISLNWFOZMLEJM-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1F ZINC000420902786 309300015 /nfs/dbraw/zinc/30/00/15/309300015.db2.gz NISLNWFOZMLEJM-UHFFFAOYSA-N 2 2 328.431 3.290 20 0 EGADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[C@H]1C ZINC000420921370 309301040 /nfs/dbraw/zinc/30/10/40/309301040.db2.gz LGRLHMNQUVVZPY-NQIIRXRSSA-N 2 2 346.515 3.156 20 0 EGADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[C@H]1C ZINC000420921370 309301041 /nfs/dbraw/zinc/30/10/41/309301041.db2.gz LGRLHMNQUVVZPY-NQIIRXRSSA-N 2 2 346.515 3.156 20 0 EGADLP CCc1nc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420922244 309301186 /nfs/dbraw/zinc/30/11/86/309301186.db2.gz NMTGAWBKTBLPKF-OAHLLOKOSA-N 2 2 345.512 3.389 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000420929340 309301916 /nfs/dbraw/zinc/30/19/16/309301916.db2.gz DMNSTQBKLVMPMH-OAHLLOKOSA-N 2 2 331.485 3.135 20 0 EGADLP Fc1ccc2c(c1)C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420933424 309302156 /nfs/dbraw/zinc/30/21/56/309302156.db2.gz IVWDLASHGXKHSL-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP Fc1ccc2c(c1)C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420933424 309302157 /nfs/dbraw/zinc/30/21/57/309302157.db2.gz IVWDLASHGXKHSL-UHFFFAOYSA-N 2 2 340.442 3.216 20 0 EGADLP C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420935023 309302487 /nfs/dbraw/zinc/30/24/87/309302487.db2.gz LDBLZSZNOLNRJQ-KRWDZBQOSA-N 2 2 340.467 3.417 20 0 EGADLP C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420935023 309302488 /nfs/dbraw/zinc/30/24/88/309302488.db2.gz LDBLZSZNOLNRJQ-KRWDZBQOSA-N 2 2 340.467 3.417 20 0 EGADLP C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420938595 309302694 /nfs/dbraw/zinc/30/26/94/309302694.db2.gz MLZNIIAKNCYNQC-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420938595 309302695 /nfs/dbraw/zinc/30/26/95/309302695.db2.gz MLZNIIAKNCYNQC-QGZVFWFLSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951221 309303690 /nfs/dbraw/zinc/30/36/90/309303690.db2.gz SESXSKHWFDPEKG-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420951221 309303691 /nfs/dbraw/zinc/30/36/91/309303691.db2.gz SESXSKHWFDPEKG-KRWDZBQOSA-N 2 2 325.456 3.107 20 0 EGADLP CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959120 309304439 /nfs/dbraw/zinc/30/44/39/309304439.db2.gz FTKDJFFEGDKLBK-OALUTQOASA-N 2 2 334.529 3.283 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@H+](Cc2ccccc2)C1 ZINC000421343093 309319302 /nfs/dbraw/zinc/31/93/02/309319302.db2.gz PLWMHEJMKSVFEC-FGZHOGPDSA-N 2 2 336.479 3.289 20 0 EGADLP O[C@@H]1C[C@H](C[NH2+]Cc2cccc(C3CC3)c2)[N@@H+](Cc2ccccc2)C1 ZINC000421343093 309319303 /nfs/dbraw/zinc/31/93/03/309319303.db2.gz PLWMHEJMKSVFEC-FGZHOGPDSA-N 2 2 336.479 3.289 20 0 EGADLP COC1([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000421819387 309341281 /nfs/dbraw/zinc/34/12/81/309341281.db2.gz GVOUISHGTFNESC-GOSISDBHSA-N 2 2 346.515 3.346 20 0 EGADLP c1[nH+]c(SCc2ccc(C[NH+]3CCOCC3)cc2)n2ccccc12 ZINC000421829379 309341970 /nfs/dbraw/zinc/34/19/70/309341970.db2.gz HRZDOHRRSNVRMK-UHFFFAOYSA-N 2 2 339.464 3.459 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840235 309342705 /nfs/dbraw/zinc/34/27/05/309342705.db2.gz YJMWGLCIMWVZPB-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1Cl ZINC000421840235 309342706 /nfs/dbraw/zinc/34/27/06/309342706.db2.gz YJMWGLCIMWVZPB-HNAYVOBHSA-N 2 2 345.874 3.023 20 0 EGADLP CCC[C@H]1CCC[C@@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018867 309351395 /nfs/dbraw/zinc/35/13/95/309351395.db2.gz LDARJDZOIPIFGG-ICSRJNTNSA-N 2 2 349.563 3.221 20 0 EGADLP CCC[C@H]1CCC[C@@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018867 309351396 /nfs/dbraw/zinc/35/13/96/309351396.db2.gz LDARJDZOIPIFGG-ICSRJNTNSA-N 2 2 349.563 3.221 20 0 EGADLP COc1sc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Br ZINC000422559450 309361628 /nfs/dbraw/zinc/36/16/28/309361628.db2.gz DAJDEZHUMUVXRC-AXFHLTTASA-N 2 2 347.322 3.324 20 0 EGADLP COc1sc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1Br ZINC000422559450 309361629 /nfs/dbraw/zinc/36/16/29/309361629.db2.gz DAJDEZHUMUVXRC-AXFHLTTASA-N 2 2 347.322 3.324 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422631857 309362957 /nfs/dbraw/zinc/36/29/57/309362957.db2.gz GAAPQUABTXWMEV-BBWFWOEESA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422631857 309362958 /nfs/dbraw/zinc/36/29/58/309362958.db2.gz GAAPQUABTXWMEV-BBWFWOEESA-N 2 2 331.504 3.362 20 0 EGADLP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000422716116 309364637 /nfs/dbraw/zinc/36/46/37/309364637.db2.gz MXLSACIIIDLFDH-JEBQAFNWSA-N 2 2 327.497 3.229 20 0 EGADLP C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000422716116 309364638 /nfs/dbraw/zinc/36/46/38/309364638.db2.gz MXLSACIIIDLFDH-JEBQAFNWSA-N 2 2 327.497 3.229 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422736081 309365846 /nfs/dbraw/zinc/36/58/46/309365846.db2.gz XCZZNHJONZQYGR-KKSFZXQISA-N 3 2 338.499 3.336 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422797334 309368849 /nfs/dbraw/zinc/36/88/49/309368849.db2.gz MDPOCOJATJYDLM-QAPCUYQASA-N 2 2 344.430 3.475 20 0 EGADLP COc1cccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000422826361 309370491 /nfs/dbraw/zinc/37/04/91/309370491.db2.gz QVWDHIBNOYGVRE-XCLFUZPHSA-N 2 2 344.430 3.130 20 0 EGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)c2ccccc21 ZINC000422827501 309370568 /nfs/dbraw/zinc/37/05/68/309370568.db2.gz NBXFHHOYVYPCOF-LSDHHAIUSA-N 2 2 337.345 3.257 20 0 EGADLP C[C@H]([NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)C1C[NH2+]C1 ZINC000422828096 309370587 /nfs/dbraw/zinc/37/05/87/309370587.db2.gz STSJGEPBTZFNRZ-IBGZPJMESA-N 3 2 337.511 3.276 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422828938 309370650 /nfs/dbraw/zinc/37/06/50/309370650.db2.gz UEFBUOVBANTYDW-SWLSCSKDSA-N 2 2 331.287 3.283 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000422872387 309373060 /nfs/dbraw/zinc/37/30/60/309373060.db2.gz GXUUPVPCKFFZRR-OTWHNJEPSA-N 2 2 332.488 3.173 20 0 EGADLP CCc1nc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422883836 309373885 /nfs/dbraw/zinc/37/38/85/309373885.db2.gz CZPLLKRUZBBOQM-QAPCUYQASA-N 2 2 329.469 3.051 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000422888446 309374363 /nfs/dbraw/zinc/37/43/63/309374363.db2.gz CVYDBGHWGQJOQP-CJNGLKHVSA-N 2 2 327.453 3.451 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422905489 309375438 /nfs/dbraw/zinc/37/54/38/309375438.db2.gz ZDVDVOKBOMFOSV-BHDDXSALSA-N 3 2 341.543 3.470 20 0 EGADLP CC(C)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)[N@@H+]1CCc2ccccc2C1 ZINC000422934889 309376987 /nfs/dbraw/zinc/37/69/87/309376987.db2.gz GPYJYOQVSUWFDG-IIBYNOLFSA-N 2 2 338.499 3.228 20 0 EGADLP CC(C)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)[N@H+]1CCc2ccccc2C1 ZINC000422934889 309376988 /nfs/dbraw/zinc/37/69/88/309376988.db2.gz GPYJYOQVSUWFDG-IIBYNOLFSA-N 2 2 338.499 3.228 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000422956418 309377994 /nfs/dbraw/zinc/37/79/94/309377994.db2.gz LCJNEFJGPNJTND-IJEWVQPXSA-N 2 2 331.485 3.228 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])O[C@@H](C)C2 ZINC000422960063 309378231 /nfs/dbraw/zinc/37/82/31/309378231.db2.gz AOIRWEWMLFTYOQ-YZVOILCLSA-N 2 2 340.467 3.067 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422999829 309380229 /nfs/dbraw/zinc/38/02/29/309380229.db2.gz SXWOZFHMTMQKQK-GJJHYRHESA-N 2 2 332.488 3.042 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000423046909 309382863 /nfs/dbraw/zinc/38/28/63/309382863.db2.gz FITOCZCBYHQIOY-NBQZKYEYSA-N 3 2 326.488 3.191 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000423110949 309386541 /nfs/dbraw/zinc/38/65/41/309386541.db2.gz POOBLOQVDVRWSF-NTZNESFSSA-N 2 2 345.256 3.006 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000423137329 309387835 /nfs/dbraw/zinc/38/78/35/309387835.db2.gz WCRCEYFVTUJQGH-CSMYWGQOSA-N 2 2 332.394 3.337 20 0 EGADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423190712 309389781 /nfs/dbraw/zinc/38/97/81/309389781.db2.gz NYGQQVNVBCSCMQ-YGRLFVJLSA-N 2 2 329.669 3.431 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)nnn1-c1ccc(C)cc1 ZINC000423260046 309392752 /nfs/dbraw/zinc/39/27/52/309392752.db2.gz GQAJWLBFQPZZMN-DNVCBOLYSA-N 2 2 341.503 3.442 20 0 EGADLP CC[N@H+](CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000423306946 309394646 /nfs/dbraw/zinc/39/46/46/309394646.db2.gz FVFKGJIJIKCAOO-MRXNPFEDSA-N 2 2 325.456 3.353 20 0 EGADLP CC[N@@H+](CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000423306946 309394647 /nfs/dbraw/zinc/39/46/47/309394647.db2.gz FVFKGJIJIKCAOO-MRXNPFEDSA-N 2 2 325.456 3.353 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000423322735 309395080 /nfs/dbraw/zinc/39/50/80/309395080.db2.gz GSGHHFSDIGNRQH-HNNXBMFYSA-N 2 2 331.485 3.013 20 0 EGADLP C[C@]1(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000423326540 309395335 /nfs/dbraw/zinc/39/53/35/309395335.db2.gz CJVBWPXIZBWKFZ-MOPGFXCFSA-N 2 2 331.410 3.429 20 0 EGADLP C[C@@]1(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CCC[NH2+]C1 ZINC000423326542 309395423 /nfs/dbraw/zinc/39/54/23/309395423.db2.gz CJVBWPXIZBWKFZ-RBUKOAKNSA-N 2 2 331.410 3.429 20 0 EGADLP Cc1cncc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000423358150 309396778 /nfs/dbraw/zinc/39/67/78/309396778.db2.gz BBTNEGJDAAWEPU-AXHNFQJDSA-N 2 2 331.410 3.465 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423396604 309398497 /nfs/dbraw/zinc/39/84/97/309398497.db2.gz UAPIWVPEOLABGT-SCLBCKFNSA-N 2 2 333.476 3.082 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCCC2=O)c1 ZINC000423395995 309398630 /nfs/dbraw/zinc/39/86/30/309398630.db2.gz SVXJSYRBDAADGS-MAUKXSAKSA-N 2 2 329.488 3.242 20 0 EGADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000423431295 309400255 /nfs/dbraw/zinc/40/02/55/309400255.db2.gz QINYDTJFRXBNDZ-ILZDJORESA-N 2 2 344.499 3.365 20 0 EGADLP C[C@@H]1CN([C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C[C@@]1(C)C[NH3+] ZINC000423532242 309405302 /nfs/dbraw/zinc/40/53/02/309405302.db2.gz ZIYIPRQUTHUCNC-MZMPZRCHSA-N 2 2 332.879 3.080 20 0 EGADLP C[C@@H](CCC[NH3+])NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000423675945 309409569 /nfs/dbraw/zinc/40/95/69/309409569.db2.gz FTEKCUVDEDLQSX-HNNXBMFYSA-N 2 2 342.487 3.328 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000430490018 309608991 /nfs/dbraw/zinc/60/89/91/309608991.db2.gz AKQAEPGMRWUNNF-LJQANCHMSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)N(c1ccccc1)C1CCCCC1)C1CC1 ZINC000430564892 309610930 /nfs/dbraw/zinc/61/09/30/309610930.db2.gz DEQLFLJWBPTSAF-FQEVSTJZSA-N 2 2 329.488 3.069 20 0 EGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000430581006 309611834 /nfs/dbraw/zinc/61/18/34/309611834.db2.gz NGTJIXHOFNNUGD-AWEZNQCLSA-N 2 2 349.784 3.014 20 0 EGADLP Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c2)cs1 ZINC000430590894 309612209 /nfs/dbraw/zinc/61/22/09/309612209.db2.gz MDINMZCPVGXWPO-SFHVURJKSA-N 2 2 346.500 3.020 20 0 EGADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000430918307 309620949 /nfs/dbraw/zinc/62/09/49/309620949.db2.gz MPWAGBBOOQUIEE-CVEARBPZSA-N 2 2 339.483 3.089 20 0 EGADLP CCCC[C@@H](C(=O)OC)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434747144 309719309 /nfs/dbraw/zinc/71/93/09/309719309.db2.gz LDJKDANUIZSGRO-KRWDZBQOSA-N 2 2 333.476 3.131 20 0 EGADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000434788419 309720096 /nfs/dbraw/zinc/72/00/96/309720096.db2.gz YQKGPISQRYWNAC-IEBWSBKVSA-N 3 2 330.520 3.008 20 0 EGADLP CCOc1cc(C[NH+]2CCC([NH2+]C)CC2)ccc1OCC(F)(F)F ZINC000435373408 309729986 /nfs/dbraw/zinc/72/99/86/309729986.db2.gz URBKVJIOCQIZAJ-UHFFFAOYSA-N 2 2 346.393 3.210 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000442993648 309893213 /nfs/dbraw/zinc/89/32/13/309893213.db2.gz AGQFYSRBMGQVSL-AWEZNQCLSA-N 2 2 330.394 3.214 20 0 EGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000449098278 310036898 /nfs/dbraw/zinc/03/68/98/310036898.db2.gz ILPOLVQVJULYQT-HXUWFJFHSA-N 2 2 344.499 3.210 20 0 EGADLP COCC1CCC([NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000449180865 310042700 /nfs/dbraw/zinc/04/27/00/310042700.db2.gz CQGJLZPEZZOIHP-UHFFFAOYSA-N 2 2 338.536 3.064 20 0 EGADLP c1ccc(NCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)[nH+]c1 ZINC000449221037 310045648 /nfs/dbraw/zinc/04/56/48/310045648.db2.gz FPEVQOFSXNTCLS-UHFFFAOYSA-N 2 2 327.428 3.225 20 0 EGADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2nnc3ccccn32)CC1 ZINC000449230183 310046304 /nfs/dbraw/zinc/04/63/04/310046304.db2.gz IGFVYVDAEDFRPM-UHFFFAOYSA-N 2 2 343.519 3.498 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449230077 310046391 /nfs/dbraw/zinc/04/63/91/310046391.db2.gz HGVOPQDBAANFIS-INIZCTEOSA-N 2 2 327.476 3.186 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000449230077 310046392 /nfs/dbraw/zinc/04/63/92/310046392.db2.gz HGVOPQDBAANFIS-INIZCTEOSA-N 2 2 327.476 3.186 20 0 EGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388162 310058185 /nfs/dbraw/zinc/05/81/85/310058185.db2.gz OHTKOLKLXMYBTD-PMACEKPBSA-N 2 2 332.463 3.198 20 0 EGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000449388162 310058186 /nfs/dbraw/zinc/05/81/86/310058186.db2.gz OHTKOLKLXMYBTD-PMACEKPBSA-N 2 2 332.463 3.198 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1(C)C ZINC000449502982 310067517 /nfs/dbraw/zinc/06/75/17/310067517.db2.gz SLMVQBZLSACLOW-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC1(C)C ZINC000449502982 310067518 /nfs/dbraw/zinc/06/75/18/310067518.db2.gz SLMVQBZLSACLOW-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CO[C@@H]1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1(C)C ZINC000449502982 310067519 /nfs/dbraw/zinc/06/75/19/310067519.db2.gz SLMVQBZLSACLOW-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CO[C@@H]1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1(C)C ZINC000449502982 310067520 /nfs/dbraw/zinc/06/75/20/310067520.db2.gz SLMVQBZLSACLOW-MRXNPFEDSA-N 2 2 337.533 3.157 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000449520889 310068908 /nfs/dbraw/zinc/06/89/08/310068908.db2.gz FSUWXNZFGVURSM-FOIQADDNSA-N 2 2 329.488 3.388 20 0 EGADLP CCOc1cccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000449785710 310087249 /nfs/dbraw/zinc/08/72/49/310087249.db2.gz IMLKFMDSZCHASR-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP CCOc1cccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000449785710 310087250 /nfs/dbraw/zinc/08/72/50/310087250.db2.gz IMLKFMDSZCHASR-UHFFFAOYSA-N 2 2 345.409 3.329 20 0 EGADLP C[N@@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450213213 310109000 /nfs/dbraw/zinc/10/90/00/310109000.db2.gz VDWLJHKWCIZUNX-UHFFFAOYSA-N 2 2 338.224 3.278 20 0 EGADLP C[N@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450213213 310109001 /nfs/dbraw/zinc/10/90/01/310109001.db2.gz VDWLJHKWCIZUNX-UHFFFAOYSA-N 2 2 338.224 3.278 20 0 EGADLP C[N@H+](CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000451028432 310156564 /nfs/dbraw/zinc/15/65/64/310156564.db2.gz JEPMEEGJKGKJOI-IBGZPJMESA-N 2 2 332.875 3.485 20 0 EGADLP C[N@@H+](CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000451028432 310156565 /nfs/dbraw/zinc/15/65/65/310156565.db2.gz JEPMEEGJKGKJOI-IBGZPJMESA-N 2 2 332.875 3.485 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211377 310218831 /nfs/dbraw/zinc/21/88/31/310218831.db2.gz YYPATSMSAMCCOX-KRWDZBQOSA-N 2 2 346.862 3.016 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452211377 310218832 /nfs/dbraw/zinc/21/88/32/310218832.db2.gz YYPATSMSAMCCOX-KRWDZBQOSA-N 2 2 346.862 3.016 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)c2cc1C ZINC000453041862 310254009 /nfs/dbraw/zinc/25/40/09/310254009.db2.gz RQWLBCHXRYGHSY-LQWHRVPQSA-N 2 2 339.483 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)c2cc1C ZINC000453041862 310254010 /nfs/dbraw/zinc/25/40/10/310254010.db2.gz RQWLBCHXRYGHSY-LQWHRVPQSA-N 2 2 339.483 3.134 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000453106730 310258284 /nfs/dbraw/zinc/25/82/84/310258284.db2.gz ZSZALPHZUOBUPF-NVXWUHKLSA-N 2 2 338.904 3.197 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)sc1Br ZINC000453274370 310268615 /nfs/dbraw/zinc/26/86/15/310268615.db2.gz XIHBGIUCZVJDPH-UTUOFQBUSA-N 2 2 344.322 3.176 20 0 EGADLP Cc1nc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)sc1Br ZINC000453274370 310268616 /nfs/dbraw/zinc/26/86/16/310268616.db2.gz XIHBGIUCZVJDPH-UTUOFQBUSA-N 2 2 344.322 3.176 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453441632 310277327 /nfs/dbraw/zinc/27/73/27/310277327.db2.gz WXYJJKUTHNQJGF-ZIFCJYIRSA-N 2 2 331.504 3.087 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453441632 310277328 /nfs/dbraw/zinc/27/73/28/310277328.db2.gz WXYJJKUTHNQJGF-ZIFCJYIRSA-N 2 2 331.504 3.087 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459335554 310545168 /nfs/dbraw/zinc/54/51/68/310545168.db2.gz GTVZGAABUNZMGF-LJQANCHMSA-N 2 2 348.441 3.010 20 0 EGADLP CC(C)(C)C1CC([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459384672 310549116 /nfs/dbraw/zinc/54/91/16/310549116.db2.gz DPWJYZLVUGIBFF-UHFFFAOYSA-N 3 2 330.520 3.008 20 0 EGADLP CC[C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482027601 310925086 /nfs/dbraw/zinc/92/50/86/310925086.db2.gz SSTKROKSRUBGJO-SFHVURJKSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000490308343 311138470 /nfs/dbraw/zinc/13/84/70/311138470.db2.gz OVPWVSUHLDMYKQ-IAGOWNOFSA-N 2 2 328.500 3.421 20 0 EGADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000490308343 311138471 /nfs/dbraw/zinc/13/84/71/311138471.db2.gz OVPWVSUHLDMYKQ-IAGOWNOFSA-N 2 2 328.500 3.421 20 0 EGADLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C[NH+](C)C ZINC000491590328 311185911 /nfs/dbraw/zinc/18/59/11/311185911.db2.gz ZBZMOKAAACVNPP-YOEHRIQHSA-N 2 2 340.895 3.185 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1OCCc2sccc21 ZINC000492195991 311225465 /nfs/dbraw/zinc/22/54/65/311225465.db2.gz XVOFMROVXNRZOH-ZBEGNZNMSA-N 2 2 337.514 3.058 20 0 EGADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)C1 ZINC000492456856 311253277 /nfs/dbraw/zinc/25/32/77/311253277.db2.gz MQWPCKFAIBMKCA-WMZOPIPTSA-N 2 2 333.476 3.169 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000492540740 311263374 /nfs/dbraw/zinc/26/33/74/311263374.db2.gz WMBSVERJYMPDHW-HJWRWDBZSA-N 2 2 344.503 3.076 20 0 EGADLP CCCCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000493071251 311323300 /nfs/dbraw/zinc/32/33/00/311323300.db2.gz OGANCTFPUUXWHN-CMDGGOBGSA-N 2 2 332.492 3.361 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)cs1 ZINC000494787240 311511647 /nfs/dbraw/zinc/51/16/47/311511647.db2.gz ILFVXZCNOYZCNA-MWLCHTKSSA-N 2 2 326.263 3.373 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000495271441 311546300 /nfs/dbraw/zinc/54/63/00/311546300.db2.gz RTRDZJGGCGFYFW-HZPDHXFCSA-N 2 2 336.480 3.089 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479803 312050160 /nfs/dbraw/zinc/05/01/60/312050160.db2.gz KDIMXLJWIBCCOR-RDGPPVDQSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506479803 312050161 /nfs/dbraw/zinc/05/01/61/312050161.db2.gz KDIMXLJWIBCCOR-RDGPPVDQSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506479803 312050162 /nfs/dbraw/zinc/05/01/62/312050162.db2.gz KDIMXLJWIBCCOR-RDGPPVDQSA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506479803 312050164 /nfs/dbraw/zinc/05/01/64/312050164.db2.gz KDIMXLJWIBCCOR-RDGPPVDQSA-N 2 2 337.552 3.266 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)ccn12 ZINC000515356188 312278636 /nfs/dbraw/zinc/27/86/36/312278636.db2.gz SZJAGYFXCKOIIZ-APWZRJJASA-N 2 2 348.450 3.036 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)ccn12 ZINC000515356188 312278637 /nfs/dbraw/zinc/27/86/37/312278637.db2.gz SZJAGYFXCKOIIZ-APWZRJJASA-N 2 2 348.450 3.036 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000516817521 312342779 /nfs/dbraw/zinc/34/27/79/312342779.db2.gz AARMSOGXPUEXFG-ZDUSSCGKSA-N 2 2 331.287 3.273 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000516817521 312342781 /nfs/dbraw/zinc/34/27/81/312342781.db2.gz AARMSOGXPUEXFG-ZDUSSCGKSA-N 2 2 331.287 3.273 20 0 EGADLP COc1ccc(Br)c(C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000087787197 454089259 /nfs/dbraw/zinc/08/92/59/454089259.db2.gz SKIXEPUJFUJRJJ-UHFFFAOYSA-N 2 2 329.282 3.135 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000528729534 313157431 /nfs/dbraw/zinc/15/74/31/313157431.db2.gz SZZKAJAWHUWGBN-IBGZPJMESA-N 2 2 332.463 3.390 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)[nH+]cc1C)c1ccsc1 ZINC000535061175 314021434 /nfs/dbraw/zinc/02/14/34/314021434.db2.gz SCHNTEBYFOYHCH-KRWDZBQOSA-N 2 2 346.500 3.386 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000535132061 314028417 /nfs/dbraw/zinc/02/84/17/314028417.db2.gz ADVCOJUZURKUKH-AWEZNQCLSA-N 2 2 326.444 3.023 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c[nH+]1 ZINC000535132061 314028420 /nfs/dbraw/zinc/02/84/20/314028420.db2.gz ADVCOJUZURKUKH-AWEZNQCLSA-N 2 2 326.444 3.023 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536463436 314115132 /nfs/dbraw/zinc/11/51/32/314115132.db2.gz MBGMESUVYHREOR-HZPDHXFCSA-N 2 2 340.471 3.360 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536463436 314115134 /nfs/dbraw/zinc/11/51/34/314115134.db2.gz MBGMESUVYHREOR-HZPDHXFCSA-N 2 2 340.471 3.360 20 0 EGADLP COc1cc2c(cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C)O[C@H](C)C2 ZINC000536678528 314138250 /nfs/dbraw/zinc/13/82/50/314138250.db2.gz CALXDVHZJXOMJC-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)O[C@H](C)C2 ZINC000536678528 314138255 /nfs/dbraw/zinc/13/82/55/314138255.db2.gz CALXDVHZJXOMJC-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)O[C@H](C)C2 ZINC000536678528 314138258 /nfs/dbraw/zinc/13/82/58/314138258.db2.gz CALXDVHZJXOMJC-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C)O[C@H](C)C2 ZINC000536678528 314138261 /nfs/dbraw/zinc/13/82/61/314138261.db2.gz CALXDVHZJXOMJC-CRAIPNDOSA-N 2 2 332.488 3.325 20 0 EGADLP COc1ccc([C@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C(C)C)cc1 ZINC000536948850 314155091 /nfs/dbraw/zinc/15/50/91/314155091.db2.gz CTGFUGJBPPJKJM-MBOZVWFJSA-N 2 2 334.504 3.481 20 0 EGADLP Cc1ccc(C(=O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)c(C)c1 ZINC000537260366 314171025 /nfs/dbraw/zinc/17/10/25/314171025.db2.gz UKTYHUWKEIYUTM-UHFFFAOYSA-N 2 2 325.456 3.485 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000537991486 314222406 /nfs/dbraw/zinc/22/24/06/314222406.db2.gz ORGRJJOBIBEKIB-PBFPGSCMSA-N 2 2 337.305 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000537991486 314222408 /nfs/dbraw/zinc/22/24/08/314222408.db2.gz ORGRJJOBIBEKIB-PBFPGSCMSA-N 2 2 337.305 3.452 20 0 EGADLP CC[C@H](C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724168 314270542 /nfs/dbraw/zinc/27/05/42/314270542.db2.gz WINMXIRCXWMMED-SBHAEUEKSA-N 2 2 329.532 3.138 20 0 EGADLP CC[C@H](C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)c1ccccc1 ZINC000538724168 314270545 /nfs/dbraw/zinc/27/05/45/314270545.db2.gz WINMXIRCXWMMED-SBHAEUEKSA-N 2 2 329.532 3.138 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000539048920 314292359 /nfs/dbraw/zinc/29/23/59/314292359.db2.gz GTVSQSWLQSTKAU-ZFWWWQNUSA-N 2 2 332.435 3.392 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCSCC(F)(F)F ZINC000539048920 314292362 /nfs/dbraw/zinc/29/23/62/314292362.db2.gz GTVSQSWLQSTKAU-ZFWWWQNUSA-N 2 2 332.435 3.392 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@H](C)C[C@@H]3C)c2cc1C ZINC000548487863 315016265 /nfs/dbraw/zinc/01/62/65/315016265.db2.gz POXPOAFFGYFNBR-VIBAHUMZSA-N 2 2 329.488 3.428 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000548587446 315024270 /nfs/dbraw/zinc/02/42/70/315024270.db2.gz HSZQLVZHOHWSKH-SFHVURJKSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)CC1 ZINC000548587446 315024271 /nfs/dbraw/zinc/02/42/71/315024271.db2.gz HSZQLVZHOHWSKH-SFHVURJKSA-N 2 2 339.886 3.079 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C)c[nH+]1 ZINC000549206838 315081251 /nfs/dbraw/zinc/08/12/51/315081251.db2.gz QBRQPGVBKFKZLD-KRWDZBQOSA-N 2 2 346.862 3.198 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000563375707 316010651 /nfs/dbraw/zinc/01/06/51/316010651.db2.gz XAZXUJBGROHHQG-MRXNPFEDSA-N 2 2 340.471 3.255 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000563375707 316010655 /nfs/dbraw/zinc/01/06/55/316010655.db2.gz XAZXUJBGROHHQG-MRXNPFEDSA-N 2 2 340.471 3.255 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)CC1 ZINC000563890624 316087276 /nfs/dbraw/zinc/08/72/76/316087276.db2.gz STXHLVSYLRHXPP-LJQANCHMSA-N 2 2 347.547 3.142 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)CC1 ZINC000563890624 316087281 /nfs/dbraw/zinc/08/72/81/316087281.db2.gz STXHLVSYLRHXPP-LJQANCHMSA-N 2 2 347.547 3.142 20 0 EGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000564092252 316112696 /nfs/dbraw/zinc/11/26/96/316112696.db2.gz GEYUBGKLNXOREX-DLBZAZTESA-N 2 2 333.520 3.352 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2ccccc2)nc1 ZINC000564736568 316197012 /nfs/dbraw/zinc/19/70/12/316197012.db2.gz QQXKIZHFICDNIM-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCc2ccccc2)nc1 ZINC000564736568 316197014 /nfs/dbraw/zinc/19/70/14/316197014.db2.gz QQXKIZHFICDNIM-UHFFFAOYSA-N 2 2 336.439 3.379 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)c2cc1C ZINC000564915084 316232504 /nfs/dbraw/zinc/23/25/04/316232504.db2.gz AWECULQCJQRRPT-LNLFQRSKSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H]4CCCC[C@@H]43)c2cc1C ZINC000564915084 316232507 /nfs/dbraw/zinc/23/25/07/316232507.db2.gz AWECULQCJQRRPT-LNLFQRSKSA-N 2 2 327.472 3.279 20 0 EGADLP Cc1ccc2[nH+]cc(CN(Cc3ccccc3)[C@H]3CCC[NH2+]C3)n2c1 ZINC000564969580 316239571 /nfs/dbraw/zinc/23/95/71/316239571.db2.gz UAJFNQJFGXWWPA-IBGZPJMESA-N 2 2 334.467 3.397 20 0 EGADLP c1nc(C2CCC2)sc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565229884 316295573 /nfs/dbraw/zinc/29/55/73/316295573.db2.gz OPPHWNLKXXZDKC-INIZCTEOSA-N 2 2 335.517 3.097 20 0 EGADLP c1nc(C2CCC2)sc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000565229884 316295578 /nfs/dbraw/zinc/29/55/78/316295578.db2.gz OPPHWNLKXXZDKC-INIZCTEOSA-N 2 2 335.517 3.097 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000565238732 316297407 /nfs/dbraw/zinc/29/74/07/316297407.db2.gz RJWIPRLSVKTJIJ-CQSZACIVSA-N 2 2 347.768 3.224 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc12 ZINC000565674108 316355326 /nfs/dbraw/zinc/35/53/26/316355326.db2.gz GOOBHSIRNCMYFD-QFBILLFUSA-N 2 2 349.482 3.202 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000565786374 316370747 /nfs/dbraw/zinc/37/07/47/316370747.db2.gz RNKRBRMLUASTIJ-UHFFFAOYSA-N 2 2 338.411 3.214 20 0 EGADLP CCC(O)(CC)C(C)(C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000567063495 316563626 /nfs/dbraw/zinc/56/36/26/316563626.db2.gz ZUBHYEZMBDATJM-UHFFFAOYSA-N 2 2 333.520 3.213 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000569446598 316915549 /nfs/dbraw/zinc/91/55/49/316915549.db2.gz CPSSYXAIVSLPMM-SJORKVTESA-N 2 2 347.507 3.187 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000570974517 317135104 /nfs/dbraw/zinc/13/51/04/317135104.db2.gz LJFJSGRYLAZZFX-OXJNMPFZSA-N 2 2 340.515 3.298 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000570974517 317135107 /nfs/dbraw/zinc/13/51/07/317135107.db2.gz LJFJSGRYLAZZFX-OXJNMPFZSA-N 2 2 340.515 3.298 20 0 EGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]Cc1ncccc1O ZINC000571190856 317164358 /nfs/dbraw/zinc/16/43/58/317164358.db2.gz CKXRUZGIUWBODH-HXUWFJFHSA-N 2 2 339.483 3.350 20 0 EGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]Cc1ncccc1O ZINC000571190856 317164360 /nfs/dbraw/zinc/16/43/60/317164360.db2.gz CKXRUZGIUWBODH-HXUWFJFHSA-N 2 2 339.483 3.350 20 0 EGADLP Clc1ccccc1-c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)no1 ZINC000571340828 317185516 /nfs/dbraw/zinc/18/55/16/317185516.db2.gz PSWUBLSVCCXWDN-UHFFFAOYSA-N 2 2 343.818 3.040 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000571381326 317190935 /nfs/dbraw/zinc/19/09/35/317190935.db2.gz DGSJTFWNXSSTFC-UHFFFAOYSA-N 2 2 329.473 3.348 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C[C@H](O)CCOC(C)C)ccc2n1C1CC1 ZINC000572394587 317332500 /nfs/dbraw/zinc/33/25/00/317332500.db2.gz KCCKVGQMYHDOAF-QGZVFWFLSA-N 2 2 345.487 3.199 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000572497551 317348163 /nfs/dbraw/zinc/34/81/63/317348163.db2.gz VEDRXYQFEPRMHH-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000572497551 317348165 /nfs/dbraw/zinc/34/81/65/317348165.db2.gz VEDRXYQFEPRMHH-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)CC(=O)N(C)C)[NH+](CC)CC)cc1 ZINC000573584478 317506333 /nfs/dbraw/zinc/50/63/33/317506333.db2.gz LDXQQLNSHYEGEZ-QFBILLFUSA-N 2 2 333.520 3.088 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3Cc4ccccc4C3)c2cc1C ZINC000574127084 317563371 /nfs/dbraw/zinc/56/33/71/317563371.db2.gz KMFQJJBQLQEJBC-FQEVSTJZSA-N 2 2 349.478 3.019 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000574512295 317606129 /nfs/dbraw/zinc/60/61/29/317606129.db2.gz OXCZARGPZQRVPF-HRAATJIYSA-N 2 2 337.467 3.489 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1)C[NH+]1CCOCC1 ZINC000270479377 455965361 /nfs/dbraw/zinc/96/53/61/455965361.db2.gz KLEHRKPJAPPYBU-NEPJUHHUSA-N 2 2 346.302 3.195 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc2[nH+]ccn21 ZINC000179566919 323392745 /nfs/dbraw/zinc/39/27/45/323392745.db2.gz MIEMMLJTDDOKIT-UHFFFAOYSA-N 2 2 336.439 3.493 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc2[nH+]ccn21 ZINC000179566919 323392748 /nfs/dbraw/zinc/39/27/48/323392748.db2.gz MIEMMLJTDDOKIT-UHFFFAOYSA-N 2 2 336.439 3.493 20 0 EGADLP [NH3+]CCCN(Cc1ccc(N2CCCC2)[nH+]c1)c1cccc(F)c1 ZINC000183219660 323601323 /nfs/dbraw/zinc/60/13/23/323601323.db2.gz OFQJVVFJCHWZKE-UHFFFAOYSA-N 2 2 328.435 3.176 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)Cn1cc[nH+]c1 ZINC000183455115 323617129 /nfs/dbraw/zinc/61/71/29/323617129.db2.gz BERKHQOAAKUKJV-LBPRGKRZSA-N 2 2 345.340 3.389 20 0 EGADLP c1cn(-c2cccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)c2)c[nH+]1 ZINC000351085968 324166851 /nfs/dbraw/zinc/16/68/51/324166851.db2.gz LOKQIWLTXCDJIA-UHFFFAOYSA-N 2 2 328.335 3.237 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)cc1F)C2 ZINC000311558222 456589732 /nfs/dbraw/zinc/58/97/32/456589732.db2.gz KERBZDRABJMLSE-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Br)cc1F)C2 ZINC000311558222 456589736 /nfs/dbraw/zinc/58/97/36/456589736.db2.gz KERBZDRABJMLSE-WFASDCNBSA-N 2 2 327.241 3.149 20 0 EGADLP COCc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000578825326 325022393 /nfs/dbraw/zinc/02/23/93/325022393.db2.gz VYSXNMKCOTZCDT-AWEZNQCLSA-N 2 2 331.435 3.084 20 0 EGADLP COCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000578825326 325022396 /nfs/dbraw/zinc/02/23/96/325022396.db2.gz VYSXNMKCOTZCDT-AWEZNQCLSA-N 2 2 331.435 3.084 20 0 EGADLP Cc1cccc(OCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000579512401 325121208 /nfs/dbraw/zinc/12/12/08/325121208.db2.gz RPHQIRMPEKQZEX-UHFFFAOYSA-N 2 2 330.394 3.380 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1O ZINC000579763531 325155635 /nfs/dbraw/zinc/15/56/35/325155635.db2.gz BYCUJUYFXCWZOG-LJQANCHMSA-N 2 2 325.456 3.178 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ncccc1O ZINC000579763531 325155638 /nfs/dbraw/zinc/15/56/38/325155638.db2.gz BYCUJUYFXCWZOG-LJQANCHMSA-N 2 2 325.456 3.178 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)c(Br)c1 ZINC000580550471 325266433 /nfs/dbraw/zinc/26/64/33/325266433.db2.gz HKJBDWWSKCWBAO-LBPRGKRZSA-N 2 2 329.282 3.496 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960783 325314985 /nfs/dbraw/zinc/31/49/85/325314985.db2.gz WKHKWXDJLRIKPS-UWVGGRQHSA-N 2 2 349.784 3.109 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000580960783 325314989 /nfs/dbraw/zinc/31/49/89/325314989.db2.gz WKHKWXDJLRIKPS-UWVGGRQHSA-N 2 2 349.784 3.109 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)Oc2ccccc2Br)n1C ZINC000581380849 325357022 /nfs/dbraw/zinc/35/70/22/325357022.db2.gz HGRIRBPCXFNOET-NSHDSACASA-N 2 2 338.249 3.048 20 0 EGADLP [NH3+][C@@H]1C[C@H](NCc2[nH+]ccn2CCc2ccccc2)c2ccccc21 ZINC000581661135 325380184 /nfs/dbraw/zinc/38/01/84/325380184.db2.gz OMNGEUWGSWXMPT-UXHICEINSA-N 2 2 332.451 3.360 20 0 EGADLP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000581939547 325400488 /nfs/dbraw/zinc/40/04/88/325400488.db2.gz KQISBIAYMJYKEW-YFVAEKQCSA-N 2 2 342.483 3.016 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000583573403 325535313 /nfs/dbraw/zinc/53/53/13/325535313.db2.gz SUQCYWUBZVTZPN-UHFFFAOYSA-N 2 2 342.936 3.257 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000347228093 457300124 /nfs/dbraw/zinc/30/01/24/457300124.db2.gz XAJSYKYYKHGROG-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000347228093 457300126 /nfs/dbraw/zinc/30/01/26/457300126.db2.gz XAJSYKYYKHGROG-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677848 455225738 /nfs/dbraw/zinc/22/57/38/455225738.db2.gz PWXPMWKHCHGPPE-PSLXWICFSA-N 2 2 327.453 3.265 20 0 EGADLP C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180677848 455225743 /nfs/dbraw/zinc/22/57/43/455225743.db2.gz PWXPMWKHCHGPPE-PSLXWICFSA-N 2 2 327.453 3.265 20 0 EGADLP Cn1cc(Br)cc1C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180720542 455234412 /nfs/dbraw/zinc/23/44/12/455234412.db2.gz DFGLNOCYIPYFPF-UHFFFAOYSA-N 2 2 333.233 3.067 20 0 EGADLP Cn1cc(Br)cc1C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000180720542 455234415 /nfs/dbraw/zinc/23/44/15/455234415.db2.gz DFGLNOCYIPYFPF-UHFFFAOYSA-N 2 2 333.233 3.067 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000180751462 455239098 /nfs/dbraw/zinc/23/90/98/455239098.db2.gz FPOCUZMLJOEQLG-GDBMZVCRSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000180751462 455239102 /nfs/dbraw/zinc/23/91/02/455239102.db2.gz FPOCUZMLJOEQLG-GDBMZVCRSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000180751462 455239106 /nfs/dbraw/zinc/23/91/06/455239106.db2.gz FPOCUZMLJOEQLG-GDBMZVCRSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2cccs2)n1 ZINC000180751462 455239111 /nfs/dbraw/zinc/23/91/11/455239111.db2.gz FPOCUZMLJOEQLG-GDBMZVCRSA-N 2 2 330.501 3.065 20 0 EGADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(SC)cc1OC ZINC000183181072 455245183 /nfs/dbraw/zinc/24/51/83/455245183.db2.gz YLZOZVUIUPTWJP-UHFFFAOYSA-N 2 2 335.473 3.144 20 0 EGADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(SC)cc1OC ZINC000183181072 455245188 /nfs/dbraw/zinc/24/51/88/455245188.db2.gz YLZOZVUIUPTWJP-UHFFFAOYSA-N 2 2 335.473 3.144 20 0 EGADLP C[NH+]1CCC([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000173359551 455272599 /nfs/dbraw/zinc/27/25/99/455272599.db2.gz HRRCDXDETGGYQX-UHFFFAOYSA-N 2 2 349.276 3.023 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000158145601 455273912 /nfs/dbraw/zinc/27/39/12/455273912.db2.gz WYIUMJMBSNYZSX-INIZCTEOSA-N 3 2 335.923 3.236 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000158145601 455273913 /nfs/dbraw/zinc/27/39/13/455273913.db2.gz WYIUMJMBSNYZSX-INIZCTEOSA-N 3 2 335.923 3.236 20 0 EGADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000631827633 460575128 /nfs/dbraw/zinc/57/51/28/460575128.db2.gz SAISJJTVBMQFBV-ZBFHGGJFSA-N 2 2 347.261 3.461 20 0 EGADLP Cc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)ncc1Br ZINC000623491934 460579465 /nfs/dbraw/zinc/57/94/65/460579465.db2.gz GPEGFBMJWFIQDY-UHFFFAOYSA-N 2 2 340.309 3.364 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccsc3Cl)C2)CC1 ZINC000616730205 460606987 /nfs/dbraw/zinc/60/69/87/460606987.db2.gz PWKPSLVBRQSOSJ-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccsc3Cl)C2)CC1 ZINC000616730205 460606991 /nfs/dbraw/zinc/60/69/91/460606991.db2.gz PWKPSLVBRQSOSJ-HNNXBMFYSA-N 2 2 327.925 3.002 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572342 453889876 /nfs/dbraw/zinc/88/98/76/453889876.db2.gz QJERZSPFKBBCLU-WMZOPIPTSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572342 453889879 /nfs/dbraw/zinc/88/98/79/453889879.db2.gz QJERZSPFKBBCLU-WMZOPIPTSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572342 453889881 /nfs/dbraw/zinc/88/98/81/453889881.db2.gz QJERZSPFKBBCLU-WMZOPIPTSA-N 2 2 331.504 3.240 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000081572342 453889885 /nfs/dbraw/zinc/88/98/85/453889885.db2.gz QJERZSPFKBBCLU-WMZOPIPTSA-N 2 2 331.504 3.240 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000037228725 453934561 /nfs/dbraw/zinc/93/45/61/453934561.db2.gz DLUQTPYPEJSFOC-HNNXBMFYSA-N 2 2 339.277 3.348 20 0 EGADLP CCc1cc(NCC2CC[NH+](CC)CC2)nc(-c2ccncc2)[nH+]1 ZINC000068691468 454044689 /nfs/dbraw/zinc/04/46/89/454044689.db2.gz ROUDOZMMFZGAPF-UHFFFAOYSA-N 2 2 325.460 3.245 20 0 EGADLP c1cc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000190933833 455408176 /nfs/dbraw/zinc/40/81/76/455408176.db2.gz OPLNWKTUXNHHJE-LJQANCHMSA-N 2 2 326.440 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)c3ccco3)c2cc1C ZINC000069065393 454076641 /nfs/dbraw/zinc/07/66/41/454076641.db2.gz XDRJLPDJBDHOLY-JKSUJKDBSA-N 2 2 327.428 3.300 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)c3ccco3)c2cc1C ZINC000069065393 454076643 /nfs/dbraw/zinc/07/66/43/454076643.db2.gz XDRJLPDJBDHOLY-JKSUJKDBSA-N 2 2 327.428 3.300 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000077249048 454081884 /nfs/dbraw/zinc/08/18/84/454081884.db2.gz VGJPZTYXBLACEC-UHFFFAOYSA-N 2 2 343.393 3.060 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000077249048 454081888 /nfs/dbraw/zinc/08/18/88/454081888.db2.gz VGJPZTYXBLACEC-UHFFFAOYSA-N 2 2 343.393 3.060 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000044686411 454114594 /nfs/dbraw/zinc/11/45/94/454114594.db2.gz FCCDBGPCMNBJOG-YPMHNXCESA-N 2 2 339.277 3.345 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000044686411 454114599 /nfs/dbraw/zinc/11/45/99/454114599.db2.gz FCCDBGPCMNBJOG-YPMHNXCESA-N 2 2 339.277 3.345 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000088728003 454117576 /nfs/dbraw/zinc/11/75/76/454117576.db2.gz VGVSXTZBEDPTJA-IEZWGBDMSA-N 2 2 330.497 3.066 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000088728003 454117579 /nfs/dbraw/zinc/11/75/79/454117579.db2.gz VGVSXTZBEDPTJA-IEZWGBDMSA-N 2 2 330.497 3.066 20 0 EGADLP Cc1cc(NCc2ccc[nH+]c2N2CCOCC2)c2ccccc2[nH+]1 ZINC000045026593 454133521 /nfs/dbraw/zinc/13/35/21/454133521.db2.gz IXMZTPBSQHDPAX-UHFFFAOYSA-N 2 2 334.423 3.387 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000089668000 454175382 /nfs/dbraw/zinc/17/53/82/454175382.db2.gz VSFCSAOGPISSBL-FQEVSTJZSA-N 2 2 325.456 3.023 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cscn2)CC1 ZINC000071857590 454233329 /nfs/dbraw/zinc/23/33/29/454233329.db2.gz BYJVUGJGZMKICB-AWEZNQCLSA-N 2 2 348.491 3.275 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cscn2)CC1 ZINC000071857589 454233516 /nfs/dbraw/zinc/23/35/16/454233516.db2.gz BYJVUGJGZMKICB-CQSZACIVSA-N 2 2 348.491 3.275 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000090047173 454267045 /nfs/dbraw/zinc/26/70/45/454267045.db2.gz VZRIXMXBNKJGBO-OAGGEKHMSA-N 2 2 347.528 3.489 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000090454248 454307515 /nfs/dbraw/zinc/30/75/15/454307515.db2.gz RVCJVBNOLYNHTE-SFHVURJKSA-N 2 2 344.890 3.175 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459321 454309249 /nfs/dbraw/zinc/30/92/49/454309249.db2.gz BCYOGDHVJAFAAQ-YOEHRIQHSA-N 2 2 342.512 3.416 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000090459321 454309257 /nfs/dbraw/zinc/30/92/57/454309257.db2.gz BCYOGDHVJAFAAQ-YOEHRIQHSA-N 2 2 342.512 3.416 20 0 EGADLP c1c2ccccc2[nH]c1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090576867 454322572 /nfs/dbraw/zinc/32/25/72/454322572.db2.gz JHRYNJMAVXFPJZ-UHFFFAOYSA-N 2 2 334.467 3.360 20 0 EGADLP Cc1cc2ncc([C@H](C)[NH2+]CCn3c(C)[nH+]c4ccccc43)c(C)n2n1 ZINC000120657100 454330918 /nfs/dbraw/zinc/33/09/18/454330918.db2.gz WFAFMZQXMBWICF-AWEZNQCLSA-N 2 2 348.454 3.355 20 0 EGADLP c1csc([C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000120943515 454367482 /nfs/dbraw/zinc/36/74/82/454367482.db2.gz DGRFQHYYJUKMFZ-IDCNUPLLSA-N 2 2 332.513 3.432 20 0 EGADLP COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564855 460810441 /nfs/dbraw/zinc/81/04/41/460810441.db2.gz VDUNCBPLJLNOEY-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564855 460810449 /nfs/dbraw/zinc/81/04/49/460810449.db2.gz VDUNCBPLJLNOEY-WCQYABFASA-N 2 2 336.785 3.308 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3nccnc3c2)C[N@@H+]1Cc1ccccc1 ZINC000634968769 460633468 /nfs/dbraw/zinc/63/34/68/460633468.db2.gz WVVZAOZYLORGAN-APWZRJJASA-N 2 2 332.451 3.382 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3nccnc3c2)C[N@H+]1Cc1ccccc1 ZINC000634968769 460633478 /nfs/dbraw/zinc/63/34/78/460633478.db2.gz WVVZAOZYLORGAN-APWZRJJASA-N 2 2 332.451 3.382 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284489 454421796 /nfs/dbraw/zinc/42/17/96/454421796.db2.gz BWRSJFHOULLQIL-STQMWFEESA-N 2 2 332.879 3.362 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000091284489 454421799 /nfs/dbraw/zinc/42/17/99/454421799.db2.gz BWRSJFHOULLQIL-STQMWFEESA-N 2 2 332.879 3.362 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336991 454428569 /nfs/dbraw/zinc/42/85/69/454428569.db2.gz UOSZMVDPJRSKOW-IRXDYDNUSA-N 2 2 343.437 3.238 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(C(F)(F)F)cc1 ZINC000091336991 454428575 /nfs/dbraw/zinc/42/85/75/454428575.db2.gz UOSZMVDPJRSKOW-IRXDYDNUSA-N 2 2 343.437 3.238 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000098143797 454461707 /nfs/dbraw/zinc/46/17/07/454461707.db2.gz YCDHQNMCEQFTPJ-YOEHRIQHSA-N 2 2 344.421 3.449 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCCNc1cccc[nH+]1 ZINC000065226687 454540184 /nfs/dbraw/zinc/54/01/84/454540184.db2.gz PGMPQPHCAVLUDQ-UHFFFAOYSA-N 2 2 336.395 3.331 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000092410779 454562662 /nfs/dbraw/zinc/56/26/62/454562662.db2.gz PMWKUDRUAJKBRR-APWZRJJASA-N 2 2 326.488 3.125 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000092410779 454562667 /nfs/dbraw/zinc/56/26/67/454562667.db2.gz PMWKUDRUAJKBRR-APWZRJJASA-N 2 2 326.488 3.125 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000092587753 454591307 /nfs/dbraw/zinc/59/13/07/454591307.db2.gz WIIJUSYLOJFARA-INIZCTEOSA-N 2 2 336.549 3.153 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000092587753 454591312 /nfs/dbraw/zinc/59/13/12/454591312.db2.gz WIIJUSYLOJFARA-INIZCTEOSA-N 2 2 336.549 3.153 20 0 EGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCC3CCCCC3)CC2)CC1 ZINC000050801681 454599311 /nfs/dbraw/zinc/59/93/11/454599311.db2.gz NZIUDORZFRGUFF-UHFFFAOYSA-N 2 2 335.536 3.022 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[N@@H+]1CCc2ccccc2C1 ZINC000123122516 454604434 /nfs/dbraw/zinc/60/44/34/454604434.db2.gz QZWVQXNZQIDFSF-YLJYHZDGSA-N 2 2 345.531 3.060 20 0 EGADLP CC[C@H](C[NH2+][C@H](C)CC(=O)N(CC)CC)[N@H+]1CCc2ccccc2C1 ZINC000123122516 454604437 /nfs/dbraw/zinc/60/44/37/454604437.db2.gz QZWVQXNZQIDFSF-YLJYHZDGSA-N 2 2 345.531 3.060 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000092666142 454604871 /nfs/dbraw/zinc/60/48/71/454604871.db2.gz QBFHFYPEPPCKIY-HOTGVXAUSA-N 2 2 348.560 3.011 20 0 EGADLP CCCC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)C(=O)OC ZINC000135190106 454644709 /nfs/dbraw/zinc/64/47/09/454644709.db2.gz ZJVSUAFNSJFNOO-KRWDZBQOSA-N 2 2 338.517 3.282 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2ccccc2c1 ZINC000080933514 454651014 /nfs/dbraw/zinc/65/10/14/454651014.db2.gz PVYAIPOPVCFDBU-QGZVFWFLSA-N 2 2 334.423 3.381 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2ccccc2c1 ZINC000080933514 454651019 /nfs/dbraw/zinc/65/10/19/454651019.db2.gz PVYAIPOPVCFDBU-QGZVFWFLSA-N 2 2 334.423 3.381 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959515 454656776 /nfs/dbraw/zinc/65/67/76/454656776.db2.gz QCTYVVMNKXMRSS-GOSISDBHSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959515 454656778 /nfs/dbraw/zinc/65/67/78/454656778.db2.gz QCTYVVMNKXMRSS-GOSISDBHSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958793 454657677 /nfs/dbraw/zinc/65/76/77/454657677.db2.gz JEINJFVXLGUNGE-STQMWFEESA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958793 454657682 /nfs/dbraw/zinc/65/76/82/454657682.db2.gz JEINJFVXLGUNGE-STQMWFEESA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000080974411 454663444 /nfs/dbraw/zinc/66/34/44/454663444.db2.gz OPLYCEFQQMDQKA-KGLIPLIRSA-N 2 2 346.862 3.120 20 0 EGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1Cl ZINC000080974411 454663450 /nfs/dbraw/zinc/66/34/50/454663450.db2.gz OPLYCEFQQMDQKA-KGLIPLIRSA-N 2 2 346.862 3.120 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080972767 454663618 /nfs/dbraw/zinc/66/36/18/454663618.db2.gz BUAJOKQJLIVDHQ-MRXNPFEDSA-N 2 2 337.427 3.402 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080972767 454663625 /nfs/dbraw/zinc/66/36/25/454663625.db2.gz BUAJOKQJLIVDHQ-MRXNPFEDSA-N 2 2 337.427 3.402 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(F)cc1Br)Cn1cc[nH+]c1 ZINC000135975006 454711574 /nfs/dbraw/zinc/71/15/74/454711574.db2.gz YZNKYNNLDWMQLL-NSHDSACASA-N 2 2 326.213 3.211 20 0 EGADLP C[N@H+](CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000123756344 454672678 /nfs/dbraw/zinc/67/26/78/454672678.db2.gz QXCMDJXELRQLJO-UHFFFAOYSA-N 3 2 338.499 3.162 20 0 EGADLP C[N@@H+](CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000123756344 454672682 /nfs/dbraw/zinc/67/26/82/454672682.db2.gz QXCMDJXELRQLJO-UHFFFAOYSA-N 3 2 338.499 3.162 20 0 EGADLP CC(C)CCn1cccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093042811 454674133 /nfs/dbraw/zinc/67/41/33/454674133.db2.gz VXYODVBPKCZGEO-IBGZPJMESA-N 2 2 333.520 3.078 20 0 EGADLP CC(C)CCn1cccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093042811 454674135 /nfs/dbraw/zinc/67/41/35/454674135.db2.gz VXYODVBPKCZGEO-IBGZPJMESA-N 2 2 333.520 3.078 20 0 EGADLP C[NH+](C)CCCCCCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106546514 454700236 /nfs/dbraw/zinc/70/02/36/454700236.db2.gz JHZITWRDALJTEH-INIZCTEOSA-N 2 2 335.496 3.158 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000124411536 454729567 /nfs/dbraw/zinc/72/95/67/454729567.db2.gz HVEWVJRTVLKZHK-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000124411536 454729570 /nfs/dbraw/zinc/72/95/70/454729570.db2.gz HVEWVJRTVLKZHK-UHFFFAOYSA-N 2 2 341.242 3.151 20 0 EGADLP Fc1ccc(-n2cc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000093866290 454741964 /nfs/dbraw/zinc/74/19/64/454741964.db2.gz RWWCUVCOSKRDBF-IBGZPJMESA-N 2 2 338.386 3.060 20 0 EGADLP Fc1ccc(-n2cc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000093866290 454741968 /nfs/dbraw/zinc/74/19/68/454741968.db2.gz RWWCUVCOSKRDBF-IBGZPJMESA-N 2 2 338.386 3.060 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cncs3)CC2)c1 ZINC000124538760 454745262 /nfs/dbraw/zinc/74/52/62/454745262.db2.gz DQXPUMSAYXDFFA-KRWDZBQOSA-N 2 2 344.528 3.314 20 0 EGADLP Cn1ccc([C@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2ccc(F)cc2)n1 ZINC000635007945 460652152 /nfs/dbraw/zinc/65/21/52/460652152.db2.gz BSNIWMRGYWWPRP-SJLPKXTDSA-N 2 2 330.451 3.016 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000107371403 454753895 /nfs/dbraw/zinc/75/38/95/454753895.db2.gz OBVMSBJTBANUAZ-GOEBONIOSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(F)c(Cl)c3)C2)CC1 ZINC000107371403 454753899 /nfs/dbraw/zinc/75/38/99/454753899.db2.gz OBVMSBJTBANUAZ-GOEBONIOSA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000107369043 454753972 /nfs/dbraw/zinc/75/39/72/454753972.db2.gz NPPPYMNBSIVIKU-HNNXBMFYSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000107369043 454753975 /nfs/dbraw/zinc/75/39/75/454753975.db2.gz NPPPYMNBSIVIKU-HNNXBMFYSA-N 2 2 342.314 3.205 20 0 EGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C/C(C)=C/c2ccccc2)nc[nH+]1 ZINC000109069942 454820110 /nfs/dbraw/zinc/82/01/10/454820110.db2.gz WZVZOWYLTRKDJB-QIPHDZALSA-N 2 2 337.471 3.180 20 0 EGADLP c1cn(-c2ccccc2)nc1C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000163222668 454831802 /nfs/dbraw/zinc/83/18/02/454831802.db2.gz YCBFOWQIEOMLCD-UHFFFAOYSA-N 2 2 347.466 3.022 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1SC ZINC000177326378 454852200 /nfs/dbraw/zinc/85/22/00/454852200.db2.gz QXMISERYGZTJDO-CVEARBPZSA-N 2 2 347.528 3.296 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1SC ZINC000177326378 454852201 /nfs/dbraw/zinc/85/22/01/454852201.db2.gz QXMISERYGZTJDO-CVEARBPZSA-N 2 2 347.528 3.296 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1SC ZINC000177326378 454852204 /nfs/dbraw/zinc/85/22/04/454852204.db2.gz QXMISERYGZTJDO-CVEARBPZSA-N 2 2 347.528 3.296 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1SC ZINC000177326378 454852206 /nfs/dbraw/zinc/85/22/06/454852206.db2.gz QXMISERYGZTJDO-CVEARBPZSA-N 2 2 347.528 3.296 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc2c(cnn2C(C)C)c1 ZINC000177347394 454854069 /nfs/dbraw/zinc/85/40/69/454854069.db2.gz GBHPUALKXIRUMC-MSOLQXFVSA-N 2 2 327.476 3.071 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc2c(cnn2C(C)C)c1 ZINC000177347394 454854074 /nfs/dbraw/zinc/85/40/74/454854074.db2.gz GBHPUALKXIRUMC-MSOLQXFVSA-N 2 2 327.476 3.071 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc2c(cnn2C(C)C)c1 ZINC000177347394 454854077 /nfs/dbraw/zinc/85/40/77/454854077.db2.gz GBHPUALKXIRUMC-MSOLQXFVSA-N 2 2 327.476 3.071 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc2c(cnn2C(C)C)c1 ZINC000177347394 454854078 /nfs/dbraw/zinc/85/40/78/454854078.db2.gz GBHPUALKXIRUMC-MSOLQXFVSA-N 2 2 327.476 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953127 455482607 /nfs/dbraw/zinc/48/26/07/455482607.db2.gz UTKLREAJDUORLN-QWHCGFSZSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953127 455482608 /nfs/dbraw/zinc/48/26/08/455482608.db2.gz UTKLREAJDUORLN-QWHCGFSZSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154656131 454916495 /nfs/dbraw/zinc/91/64/95/454916495.db2.gz GKVMOPAUPYMRDC-WCQYABFASA-N 2 2 329.257 3.203 20 0 EGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154656131 454916499 /nfs/dbraw/zinc/91/64/99/454916499.db2.gz GKVMOPAUPYMRDC-WCQYABFASA-N 2 2 329.257 3.203 20 0 EGADLP C[N@H+](CCC[NH2+]Cc1cncc(Br)c1)Cc1ccccc1 ZINC000166862382 454916481 /nfs/dbraw/zinc/91/64/81/454916481.db2.gz SUMCWNIVYSKBCE-UHFFFAOYSA-N 2 2 348.288 3.456 20 0 EGADLP C[N@@H+](CCC[NH2+]Cc1cncc(Br)c1)Cc1ccccc1 ZINC000166862382 454916487 /nfs/dbraw/zinc/91/64/87/454916487.db2.gz SUMCWNIVYSKBCE-UHFFFAOYSA-N 2 2 348.288 3.456 20 0 EGADLP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000166899277 454916771 /nfs/dbraw/zinc/91/67/71/454916771.db2.gz PFNDCKAVQLLWLZ-LJQANCHMSA-N 2 2 346.434 3.483 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934236 454938685 /nfs/dbraw/zinc/93/86/85/454938685.db2.gz RQTNHILIKPLAAK-QZTJIDSGSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934236 454938689 /nfs/dbraw/zinc/93/86/89/454938689.db2.gz RQTNHILIKPLAAK-QZTJIDSGSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934236 454938693 /nfs/dbraw/zinc/93/86/93/454938693.db2.gz RQTNHILIKPLAAK-QZTJIDSGSA-N 2 2 337.552 3.125 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000113934236 454938696 /nfs/dbraw/zinc/93/86/96/454938696.db2.gz RQTNHILIKPLAAK-QZTJIDSGSA-N 2 2 337.552 3.125 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151108983 454938791 /nfs/dbraw/zinc/93/87/91/454938791.db2.gz FRBDJBYMNCKNQC-INIZCTEOSA-N 2 2 343.475 3.498 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CCC2 ZINC000178330726 454948926 /nfs/dbraw/zinc/94/89/26/454948926.db2.gz NCYYBIIMQFIMTI-LSDHHAIUSA-N 2 2 337.533 3.029 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)CCC2 ZINC000178330726 454948928 /nfs/dbraw/zinc/94/89/28/454948928.db2.gz NCYYBIIMQFIMTI-LSDHHAIUSA-N 2 2 337.533 3.029 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C12CCCC2 ZINC000151836440 455037227 /nfs/dbraw/zinc/03/72/27/455037227.db2.gz AGKUMKWRPOFEQR-ROUUACIJSA-N 2 2 329.488 3.378 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000179721527 455070755 /nfs/dbraw/zinc/07/07/55/455070755.db2.gz ZJHUFSAQDDJHDK-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000179721527 455070757 /nfs/dbraw/zinc/07/07/57/455070757.db2.gz ZJHUFSAQDDJHDK-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156068825 455078154 /nfs/dbraw/zinc/07/81/54/455078154.db2.gz IYRZKLYFMUYWKE-KRWDZBQOSA-N 2 2 338.455 3.070 20 0 EGADLP CCOc1c(OC)cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OC ZINC000179837228 455086845 /nfs/dbraw/zinc/08/68/45/455086845.db2.gz IPSZSHCKSHGUQS-UHFFFAOYSA-N 2 2 336.476 3.065 20 0 EGADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000179932355 455101870 /nfs/dbraw/zinc/10/18/70/455101870.db2.gz IOPUORDWBNFCOY-INIZCTEOSA-N 2 2 344.430 3.240 20 0 EGADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)o2)cc1 ZINC000179932355 455101874 /nfs/dbraw/zinc/10/18/74/455101874.db2.gz IOPUORDWBNFCOY-INIZCTEOSA-N 2 2 344.430 3.240 20 0 EGADLP CN(C(=O)c1ccc2[nH+]ccn2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172006012 455108243 /nfs/dbraw/zinc/10/82/43/455108243.db2.gz BQOGAPNROXDSHM-UHFFFAOYSA-N 2 2 348.450 3.071 20 0 EGADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1c(F)cccc1F ZINC000172092647 455120894 /nfs/dbraw/zinc/12/08/94/455120894.db2.gz ZGORMBSOVAGPFT-SWLSCSKDSA-N 2 2 341.446 3.248 20 0 EGADLP Cn1cc([C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)c2cccc(F)c2)cn1 ZINC000180061375 455125377 /nfs/dbraw/zinc/12/53/77/455125377.db2.gz PRDITFUVUYDIPK-FQEVSTJZSA-N 2 2 349.413 3.129 20 0 EGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656873 460663629 /nfs/dbraw/zinc/66/36/29/460663629.db2.gz DNJXSSLOYMTIMG-IBGZPJMESA-N 3 2 347.522 3.154 20 0 EGADLP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623656873 460663637 /nfs/dbraw/zinc/66/36/37/460663637.db2.gz DNJXSSLOYMTIMG-IBGZPJMESA-N 3 2 347.522 3.154 20 0 EGADLP CCCCC[C@H](CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000180115569 455134316 /nfs/dbraw/zinc/13/43/16/455134316.db2.gz SCHHBJSTEJDTMT-KRWDZBQOSA-N 2 2 337.552 3.268 20 0 EGADLP c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000172575861 455162492 /nfs/dbraw/zinc/16/24/92/455162492.db2.gz JGXFPDHAYSXYRL-QGZVFWFLSA-N 2 2 326.444 3.187 20 0 EGADLP c1ccc(-c2nnc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)o2)cc1 ZINC000172575861 455162495 /nfs/dbraw/zinc/16/24/95/455162495.db2.gz JGXFPDHAYSXYRL-QGZVFWFLSA-N 2 2 326.444 3.187 20 0 EGADLP CC(C)Cn1ncnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000182849161 455177207 /nfs/dbraw/zinc/17/72/07/455177207.db2.gz RBONPDCQBLKYJJ-GOSISDBHSA-N 2 2 347.551 3.411 20 0 EGADLP CC(C)Cn1ncnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000182849161 455177212 /nfs/dbraw/zinc/17/72/12/455177212.db2.gz RBONPDCQBLKYJJ-GOSISDBHSA-N 2 2 347.551 3.411 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445451 455302814 /nfs/dbraw/zinc/30/28/14/455302814.db2.gz KKBUJAHDSKJAQY-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445451 455302819 /nfs/dbraw/zinc/30/28/19/455302819.db2.gz KKBUJAHDSKJAQY-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445451 455302822 /nfs/dbraw/zinc/30/28/22/455302822.db2.gz KKBUJAHDSKJAQY-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000245445451 455302828 /nfs/dbraw/zinc/30/28/28/455302828.db2.gz KKBUJAHDSKJAQY-KURKYZTESA-N 2 2 343.515 3.016 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265489360 455333536 /nfs/dbraw/zinc/33/35/36/455333536.db2.gz MTRMNKXNZKAQIQ-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP CCC[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OCC ZINC000174002022 455349240 /nfs/dbraw/zinc/34/92/40/455349240.db2.gz LPGXTDKNCQNLRC-IBGZPJMESA-N 2 2 332.488 3.220 20 0 EGADLP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c4ccc(C)cn34)c2)CC1 ZINC000190967690 455416850 /nfs/dbraw/zinc/41/68/50/455416850.db2.gz GGBFDYFYQMFBKY-UHFFFAOYSA-N 2 2 349.482 3.397 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]([C@@H]4C=CCCC4)C3)CC2)nc1 ZINC000246098893 455425456 /nfs/dbraw/zinc/42/54/56/455425456.db2.gz JGUXOSXIHMDVHY-VQTJNVASSA-N 2 2 340.515 3.024 20 0 EGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+]([C@@H]4C=CCCC4)C3)CC2)nc1 ZINC000246098893 455425461 /nfs/dbraw/zinc/42/54/61/455425461.db2.gz JGUXOSXIHMDVHY-VQTJNVASSA-N 2 2 340.515 3.024 20 0 EGADLP CC(C)N(C)c1ccc(CNc2ccc(OCC[NH+](C)C)cc2)c[nH+]1 ZINC000191117636 455446375 /nfs/dbraw/zinc/44/63/75/455446375.db2.gz MBJLJBJIRQTQAW-UHFFFAOYSA-N 2 2 342.487 3.479 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000246333810 455472945 /nfs/dbraw/zinc/47/29/45/455472945.db2.gz HCNHDCJPKSKIBO-YLJYHZDGSA-N 2 2 337.467 3.250 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000246333810 455472953 /nfs/dbraw/zinc/47/29/53/455472953.db2.gz HCNHDCJPKSKIBO-YLJYHZDGSA-N 2 2 337.467 3.250 20 0 EGADLP CCCCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464113 455494424 /nfs/dbraw/zinc/49/44/24/455494424.db2.gz GHMFECYRQYQQIQ-ICSRJNTNSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464113 455494427 /nfs/dbraw/zinc/49/44/27/455494427.db2.gz GHMFECYRQYQQIQ-ICSRJNTNSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464113 455494432 /nfs/dbraw/zinc/49/44/32/455494432.db2.gz GHMFECYRQYQQIQ-ICSRJNTNSA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246464113 455494438 /nfs/dbraw/zinc/49/44/38/455494438.db2.gz GHMFECYRQYQQIQ-ICSRJNTNSA-N 2 2 345.531 3.278 20 0 EGADLP CC(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000185200301 455520631 /nfs/dbraw/zinc/52/06/31/455520631.db2.gz CGDUQZYHWKQQKB-OALUTQOASA-N 2 2 331.504 3.228 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889672 455533620 /nfs/dbraw/zinc/53/36/20/455533620.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246889672 455533624 /nfs/dbraw/zinc/53/36/24/455533624.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246889672 455533629 /nfs/dbraw/zinc/53/36/29/455533629.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246889672 455533632 /nfs/dbraw/zinc/53/36/32/455533632.db2.gz DSUNOAMJWIFKFP-SQAAOVBZSA-N 3 2 329.532 3.215 20 0 EGADLP CC[NH+]1CCN(c2ccc(N[C@@H](C)c3[nH+]ccn3C)c(C)c2)CC1 ZINC000182566042 455542907 /nfs/dbraw/zinc/54/29/07/455542907.db2.gz WVAIVNSQCYQOOB-INIZCTEOSA-N 2 2 327.476 3.044 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000192235248 455578677 /nfs/dbraw/zinc/57/86/77/455578677.db2.gz NAMGHEJCEVEKML-UHFFFAOYSA-N 2 2 327.476 3.339 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247304331 455585836 /nfs/dbraw/zinc/58/58/36/455585836.db2.gz UXFFNSKHFAKTJC-YQQAZPJKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247304331 455585840 /nfs/dbraw/zinc/58/58/40/455585840.db2.gz UXFFNSKHFAKTJC-YQQAZPJKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247304331 455585843 /nfs/dbraw/zinc/58/58/43/455585843.db2.gz UXFFNSKHFAKTJC-YQQAZPJKSA-N 2 2 347.528 3.152 20 0 EGADLP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247304331 455585847 /nfs/dbraw/zinc/58/58/47/455585847.db2.gz UXFFNSKHFAKTJC-YQQAZPJKSA-N 2 2 347.528 3.152 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355258 455596167 /nfs/dbraw/zinc/59/61/67/455596167.db2.gz FZMCZIQTIICNNR-HXUWFJFHSA-N 2 2 328.431 3.206 20 0 EGADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192355258 455596170 /nfs/dbraw/zinc/59/61/70/455596170.db2.gz FZMCZIQTIICNNR-HXUWFJFHSA-N 2 2 328.431 3.206 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000277580338 455604765 /nfs/dbraw/zinc/60/47/65/455604765.db2.gz CESLHMRVYLSWKC-FXAWDEMLSA-N 2 2 343.471 3.352 20 0 EGADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCO[C@@H]1CCCCO1 ZINC000277580338 455604766 /nfs/dbraw/zinc/60/47/66/455604766.db2.gz CESLHMRVYLSWKC-FXAWDEMLSA-N 2 2 343.471 3.352 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277649811 455623158 /nfs/dbraw/zinc/62/31/58/455623158.db2.gz ZBRLKXCJFQNVCC-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277649811 455623166 /nfs/dbraw/zinc/62/31/66/455623166.db2.gz ZBRLKXCJFQNVCC-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247773120 455645119 /nfs/dbraw/zinc/64/51/19/455645119.db2.gz PTLAIELWVFLSBA-YVSFHVDLSA-N 2 2 347.507 3.013 20 0 EGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247773120 455645120 /nfs/dbraw/zinc/64/51/20/455645120.db2.gz PTLAIELWVFLSBA-YVSFHVDLSA-N 2 2 347.507 3.013 20 0 EGADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247773118 455645217 /nfs/dbraw/zinc/64/52/17/455645217.db2.gz PTLAIELWVFLSBA-TWMKSMIVSA-N 2 2 347.507 3.013 20 0 EGADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247773118 455645220 /nfs/dbraw/zinc/64/52/20/455645220.db2.gz PTLAIELWVFLSBA-TWMKSMIVSA-N 2 2 347.507 3.013 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247930329 455656291 /nfs/dbraw/zinc/65/62/91/455656291.db2.gz BZNKQBWPKIAFNT-VQTJNVASSA-N 2 2 338.499 3.390 20 0 EGADLP CCn1cc[nH+]c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247930329 455656298 /nfs/dbraw/zinc/65/62/98/455656298.db2.gz BZNKQBWPKIAFNT-VQTJNVASSA-N 2 2 338.499 3.390 20 0 EGADLP CC[N@@H+](Cc1ccncc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284255285 455657707 /nfs/dbraw/zinc/65/77/07/455657707.db2.gz WMVIADCJHXTPHO-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP CC[N@H+](Cc1ccncc1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284255285 455657710 /nfs/dbraw/zinc/65/77/10/455657710.db2.gz WMVIADCJHXTPHO-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccncc1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284255285 455657715 /nfs/dbraw/zinc/65/77/15/455657715.db2.gz WMVIADCJHXTPHO-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP CC[NH+](Cc1ccncc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284255285 455657718 /nfs/dbraw/zinc/65/77/18/455657718.db2.gz WMVIADCJHXTPHO-NRFANRHFSA-N 2 2 339.483 3.195 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248137883 455687142 /nfs/dbraw/zinc/68/71/42/455687142.db2.gz PHVXYTSQLMKZJG-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248137883 455687144 /nfs/dbraw/zinc/68/71/44/455687144.db2.gz PHVXYTSQLMKZJG-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248137883 455687148 /nfs/dbraw/zinc/68/71/48/455687148.db2.gz PHVXYTSQLMKZJG-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248137883 455687151 /nfs/dbraw/zinc/68/71/51/455687151.db2.gz PHVXYTSQLMKZJG-MCIONIFRSA-N 2 2 332.473 3.275 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000192924228 455719161 /nfs/dbraw/zinc/71/91/61/455719161.db2.gz QYYMUHKADKVNMH-NRFANRHFSA-N 3 2 346.478 3.484 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c[nH+]1 ZINC000192924228 455719169 /nfs/dbraw/zinc/71/91/69/455719169.db2.gz QYYMUHKADKVNMH-NRFANRHFSA-N 3 2 346.478 3.484 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186322816 455743706 /nfs/dbraw/zinc/74/37/06/455743706.db2.gz VSIAKTJWLJDVFG-MAUKXSAKSA-N 2 2 344.528 3.393 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)ccc1F ZINC000268960965 455745412 /nfs/dbraw/zinc/74/54/12/455745412.db2.gz YROZBGPZRPUEOW-AWEZNQCLSA-N 2 2 341.390 3.287 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)ccc1F ZINC000268960965 455745417 /nfs/dbraw/zinc/74/54/17/455745417.db2.gz YROZBGPZRPUEOW-AWEZNQCLSA-N 2 2 341.390 3.287 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249340776 455749354 /nfs/dbraw/zinc/74/93/54/455749354.db2.gz DIPFUKYNUHDGOI-QXAKKESOSA-N 2 2 337.552 3.218 20 0 EGADLP CC[C@H](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249340776 455749361 /nfs/dbraw/zinc/74/93/61/455749361.db2.gz DIPFUKYNUHDGOI-QXAKKESOSA-N 2 2 337.552 3.218 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCSC3(CCOCC3)C2)n1-c1ccccc1 ZINC000186491278 455780912 /nfs/dbraw/zinc/78/09/12/455780912.db2.gz FQKWLSVZVCINRQ-UHFFFAOYSA-N 2 2 343.496 3.279 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCSC3(CCOCC3)C2)n1-c1ccccc1 ZINC000186491278 455780915 /nfs/dbraw/zinc/78/09/15/455780915.db2.gz FQKWLSVZVCINRQ-UHFFFAOYSA-N 2 2 343.496 3.279 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000269128840 455795223 /nfs/dbraw/zinc/79/52/23/455795223.db2.gz HYHYAJKVKTZBIV-UHFFFAOYSA-N 2 2 345.834 3.151 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000269128840 455795228 /nfs/dbraw/zinc/79/52/28/455795228.db2.gz HYHYAJKVKTZBIV-UHFFFAOYSA-N 2 2 345.834 3.151 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000278267812 455801930 /nfs/dbraw/zinc/80/19/30/455801930.db2.gz RIAYIXFNSZLWDC-UHFFFAOYSA-N 2 2 342.886 3.190 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000278267812 455801934 /nfs/dbraw/zinc/80/19/34/455801934.db2.gz RIAYIXFNSZLWDC-UHFFFAOYSA-N 2 2 342.886 3.190 20 0 EGADLP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000271953898 455803838 /nfs/dbraw/zinc/80/38/38/455803838.db2.gz CHMPDFKQVMCLHK-AZUAARDMSA-N 2 2 331.504 3.229 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000278341174 455823154 /nfs/dbraw/zinc/82/31/54/455823154.db2.gz XMAVJBJCOZIPTO-HNNXBMFYSA-N 2 2 342.439 3.165 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000278341174 455823156 /nfs/dbraw/zinc/82/31/56/455823156.db2.gz XMAVJBJCOZIPTO-HNNXBMFYSA-N 2 2 342.439 3.165 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673139 455827684 /nfs/dbraw/zinc/82/76/84/455827684.db2.gz GQQPJSBGTVHCAZ-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673139 455827689 /nfs/dbraw/zinc/82/76/89/455827689.db2.gz GQQPJSBGTVHCAZ-KBPBESRZSA-N 2 2 327.241 3.305 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1C ZINC000285367897 455830893 /nfs/dbraw/zinc/83/08/93/455830893.db2.gz BYWGANNZRHHAIB-XYPWUTKMSA-N 2 2 335.517 3.169 20 0 EGADLP Cc1sc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)c1C ZINC000285367897 455830894 /nfs/dbraw/zinc/83/08/94/455830894.db2.gz BYWGANNZRHHAIB-XYPWUTKMSA-N 2 2 335.517 3.169 20 0 EGADLP Cc1sc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1C ZINC000285367897 455830899 /nfs/dbraw/zinc/83/08/99/455830899.db2.gz BYWGANNZRHHAIB-XYPWUTKMSA-N 2 2 335.517 3.169 20 0 EGADLP Cc1sc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1C ZINC000285367897 455830905 /nfs/dbraw/zinc/83/09/05/455830905.db2.gz BYWGANNZRHHAIB-XYPWUTKMSA-N 2 2 335.517 3.169 20 0 EGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285448591 455847863 /nfs/dbraw/zinc/84/78/63/455847863.db2.gz GEGMDWJTFGKVAU-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC000285448591 455847864 /nfs/dbraw/zinc/84/78/64/455847864.db2.gz GEGMDWJTFGKVAU-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448591 455847867 /nfs/dbraw/zinc/84/78/67/455847867.db2.gz GEGMDWJTFGKVAU-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000285448591 455847869 /nfs/dbraw/zinc/84/78/69/455847869.db2.gz GEGMDWJTFGKVAU-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285572519 455872506 /nfs/dbraw/zinc/87/25/06/455872506.db2.gz WGQJSXZYJIBLHS-INIZCTEOSA-N 2 2 345.393 3.486 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000285572519 455872510 /nfs/dbraw/zinc/87/25/10/455872510.db2.gz WGQJSXZYJIBLHS-INIZCTEOSA-N 2 2 345.393 3.486 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000270134033 455885243 /nfs/dbraw/zinc/88/52/43/455885243.db2.gz PWBQTAMWRZICPG-GOSISDBHSA-N 2 2 338.455 3.433 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000270134033 455885245 /nfs/dbraw/zinc/88/52/45/455885245.db2.gz PWBQTAMWRZICPG-GOSISDBHSA-N 2 2 338.455 3.433 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(Cl)c3)C[C@H]12 ZINC000261579996 455908481 /nfs/dbraw/zinc/90/84/81/455908481.db2.gz PVDPFXYHSVZMIT-UHIISALHSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(Cl)c3)C[C@H]12 ZINC000261579996 455908487 /nfs/dbraw/zinc/90/84/87/455908487.db2.gz PVDPFXYHSVZMIT-UHIISALHSA-N 2 2 329.669 3.272 20 0 EGADLP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000261634374 455918759 /nfs/dbraw/zinc/91/87/59/455918759.db2.gz HYHYAJAFGCEOCK-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000261634374 455918764 /nfs/dbraw/zinc/91/87/64/455918764.db2.gz HYHYAJAFGCEOCK-UHFFFAOYSA-N 2 2 344.286 3.396 20 0 EGADLP CCc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000272337222 455918909 /nfs/dbraw/zinc/91/89/09/455918909.db2.gz BEUAITZUBDMSSV-OAHLLOKOSA-N 2 2 339.487 3.268 20 0 EGADLP CO[C@H]1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000261643588 455920216 /nfs/dbraw/zinc/92/02/16/455920216.db2.gz IPAIXSABVPIEBU-HKUYNNGSSA-N 2 2 326.440 3.417 20 0 EGADLP CO[C@H]1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000261643588 455920219 /nfs/dbraw/zinc/92/02/19/455920219.db2.gz IPAIXSABVPIEBU-HKUYNNGSSA-N 2 2 326.440 3.417 20 0 EGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cn1 ZINC000280380266 455959544 /nfs/dbraw/zinc/95/95/44/455959544.db2.gz KZWQPKUXKPSYGH-TZMCWYRMSA-N 2 2 326.282 3.369 20 0 EGADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cn1 ZINC000280380266 455959548 /nfs/dbraw/zinc/95/95/48/455959548.db2.gz KZWQPKUXKPSYGH-TZMCWYRMSA-N 2 2 326.282 3.369 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477025 455963457 /nfs/dbraw/zinc/96/34/57/455963457.db2.gz SJZPFFAKJMXCPB-FUHWJXTLSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477025 455963461 /nfs/dbraw/zinc/96/34/61/455963461.db2.gz SJZPFFAKJMXCPB-FUHWJXTLSA-N 2 2 338.455 3.422 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000280413358 455967202 /nfs/dbraw/zinc/96/72/02/455967202.db2.gz YLWRVMZXHHYYDL-GOSISDBHSA-N 2 2 342.462 3.462 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000280413358 455967207 /nfs/dbraw/zinc/96/72/07/455967207.db2.gz YLWRVMZXHHYYDL-GOSISDBHSA-N 2 2 342.462 3.462 20 0 EGADLP CCOCc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC ZINC000261911835 455970748 /nfs/dbraw/zinc/97/07/48/455970748.db2.gz YFTCPFWZYPQOFL-VQTJNVASSA-N 2 2 340.467 3.158 20 0 EGADLP CCOCc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1OC ZINC000261911835 455970751 /nfs/dbraw/zinc/97/07/51/455970751.db2.gz YFTCPFWZYPQOFL-VQTJNVASSA-N 2 2 340.467 3.158 20 0 EGADLP OCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000188040711 455984028 /nfs/dbraw/zinc/98/40/28/455984028.db2.gz ZNMRYZPLOSPFRK-BEFAXECRSA-N 2 2 336.907 3.445 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000262128788 456001525 /nfs/dbraw/zinc/00/15/25/456001525.db2.gz XYUXJFKKULMPKJ-UHFFFAOYSA-N 2 2 327.457 3.221 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+](CCn1cc[nH+]c1C)CC2 ZINC000270795840 456040269 /nfs/dbraw/zinc/04/02/69/456040269.db2.gz DHVBVQPTYKNOQK-UHFFFAOYSA-N 2 2 329.444 3.047 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+](CCn1cc[nH+]c1C)CC2 ZINC000270795840 456040272 /nfs/dbraw/zinc/04/02/72/456040272.db2.gz DHVBVQPTYKNOQK-UHFFFAOYSA-N 2 2 329.444 3.047 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000272717248 456050493 /nfs/dbraw/zinc/05/04/93/456050493.db2.gz ZFCRYDSLCUEHQR-DLBZAZTESA-N 2 2 342.443 3.184 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827735 456082869 /nfs/dbraw/zinc/08/28/69/456082869.db2.gz PLZLDABCPPSWFH-BQFCYCMXSA-N 2 2 341.503 3.489 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827735 456082874 /nfs/dbraw/zinc/08/28/74/456082874.db2.gz PLZLDABCPPSWFH-BQFCYCMXSA-N 2 2 341.503 3.489 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000301345184 456095219 /nfs/dbraw/zinc/09/52/19/456095219.db2.gz JNNOXNVJVYHRAB-HNNXBMFYSA-N 2 2 341.455 3.190 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000301345184 456095227 /nfs/dbraw/zinc/09/52/27/456095227.db2.gz JNNOXNVJVYHRAB-HNNXBMFYSA-N 2 2 341.455 3.190 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)ccc1OC ZINC000230729685 456140148 /nfs/dbraw/zinc/14/01/48/456140148.db2.gz NPIRSNDALSEICL-UHFFFAOYSA-N 2 2 329.282 3.231 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)ccc1OC ZINC000230729685 456140155 /nfs/dbraw/zinc/14/01/55/456140155.db2.gz NPIRSNDALSEICL-UHFFFAOYSA-N 2 2 329.282 3.231 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000289862339 456159686 /nfs/dbraw/zinc/15/96/86/456159686.db2.gz VXVFYHSHGCEVSU-INIZCTEOSA-N 2 2 330.501 3.158 20 0 EGADLP CSc1cc2c(cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OCCO2 ZINC000271191771 456162651 /nfs/dbraw/zinc/16/26/51/456162651.db2.gz MEIUPEHTQOCGQD-UKRRQHHQSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)OCCO2 ZINC000271191771 456162655 /nfs/dbraw/zinc/16/26/55/456162655.db2.gz MEIUPEHTQOCGQD-UKRRQHHQSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OCCO2 ZINC000271191771 456162659 /nfs/dbraw/zinc/16/26/59/456162659.db2.gz MEIUPEHTQOCGQD-UKRRQHHQSA-N 2 2 336.501 3.094 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OCCO2 ZINC000271191771 456162663 /nfs/dbraw/zinc/16/26/63/456162663.db2.gz MEIUPEHTQOCGQD-UKRRQHHQSA-N 2 2 336.501 3.094 20 0 EGADLP c1cc2cccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)c2[nH]1 ZINC000236697103 456170781 /nfs/dbraw/zinc/17/07/81/456170781.db2.gz RNSZPLCOIGQVQM-UHFFFAOYSA-N 2 2 335.451 3.290 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ncccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000289931252 456187259 /nfs/dbraw/zinc/18/72/59/456187259.db2.gz VLRLTAHKQCQLTI-PKOBYXMFSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ncccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000289931252 456187260 /nfs/dbraw/zinc/18/72/60/456187260.db2.gz VLRLTAHKQCQLTI-PKOBYXMFSA-N 2 2 338.499 3.290 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281287622 456190343 /nfs/dbraw/zinc/19/03/43/456190343.db2.gz JBWIJQNYLUFVHV-DLBZAZTESA-N 2 2 339.487 3.010 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000281287622 456190350 /nfs/dbraw/zinc/19/03/50/456190350.db2.gz JBWIJQNYLUFVHV-DLBZAZTESA-N 2 2 339.487 3.010 20 0 EGADLP CC[N@H+](CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236845945 456191496 /nfs/dbraw/zinc/19/14/96/456191496.db2.gz RMGSLLLLLFMFTF-HXUWFJFHSA-N 2 2 339.483 3.499 20 0 EGADLP CC[N@@H+](CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236845945 456191506 /nfs/dbraw/zinc/19/15/06/456191506.db2.gz RMGSLLLLLFMFTF-HXUWFJFHSA-N 2 2 339.483 3.499 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc(N2CCCC2)n1 ZINC000289950664 456192851 /nfs/dbraw/zinc/19/28/51/456192851.db2.gz XMSIYBWUYIFEGG-UHFFFAOYSA-N 2 2 347.466 3.466 20 0 EGADLP C[NH+](C)CCCC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301928996 456252997 /nfs/dbraw/zinc/25/29/97/456252997.db2.gz NOFLTNUWKTWLCF-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP C[NH+](C)CCCC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301928996 456252999 /nfs/dbraw/zinc/25/29/99/456252999.db2.gz NOFLTNUWKTWLCF-UHFFFAOYSA-N 2 2 331.508 3.025 20 0 EGADLP C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237265889 456255754 /nfs/dbraw/zinc/25/57/54/456255754.db2.gz IKJKOTYGLADPDF-CQSZACIVSA-N 2 2 345.830 3.351 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290215556 456269279 /nfs/dbraw/zinc/26/92/79/456269279.db2.gz VOQKXFLTGVEAMV-FQEVSTJZSA-N 2 2 328.500 3.402 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc3occc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000352760195 456281089 /nfs/dbraw/zinc/28/10/89/456281089.db2.gz ADNIJJFZXDSWHI-NRFANRHFSA-N 2 2 336.435 3.159 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc3occc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000352760195 456281099 /nfs/dbraw/zinc/28/10/99/456281099.db2.gz ADNIJJFZXDSWHI-NRFANRHFSA-N 2 2 336.435 3.159 20 0 EGADLP C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000290313331 456287720 /nfs/dbraw/zinc/28/77/20/456287720.db2.gz NVHSRVBYANNOSY-DCPHZVHLSA-N 2 2 335.407 3.018 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320129 456290558 /nfs/dbraw/zinc/29/05/58/456290558.db2.gz CWOMTXWBLZEJMM-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)cc1F ZINC000290320129 456290562 /nfs/dbraw/zinc/29/05/62/456290562.db2.gz CWOMTXWBLZEJMM-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)cc1F ZINC000290320129 456290566 /nfs/dbraw/zinc/29/05/66/456290566.db2.gz CWOMTXWBLZEJMM-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)cc1F ZINC000290320129 456290570 /nfs/dbraw/zinc/29/05/70/456290570.db2.gz CWOMTXWBLZEJMM-ABAIWWIYSA-N 2 2 329.257 3.360 20 0 EGADLP COc1ccc(-n2ccc(C[NH2+]CCCc3c[nH+]ccc3C)n2)cc1 ZINC000290326102 456292564 /nfs/dbraw/zinc/29/25/64/456292564.db2.gz JXQJKEUERJFXEZ-UHFFFAOYSA-N 2 2 336.439 3.307 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)s1 ZINC000352785410 456304896 /nfs/dbraw/zinc/30/48/96/456304896.db2.gz GBPAXAFLQIPDCS-AWEZNQCLSA-N 2 2 348.491 3.102 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H]1c1ccccc1 ZINC000340204646 456313516 /nfs/dbraw/zinc/31/35/16/456313516.db2.gz YFCHOCLILCQHCC-TZIWHRDSSA-N 3 2 327.516 3.428 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H]1c1ccccc1 ZINC000340204646 456313517 /nfs/dbraw/zinc/31/35/17/456313517.db2.gz YFCHOCLILCQHCC-TZIWHRDSSA-N 3 2 327.516 3.428 20 0 EGADLP C[NH+](C)C1(CN[C@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc2C1 ZINC000275811897 456319400 /nfs/dbraw/zinc/31/94/00/456319400.db2.gz FHDUUNBHCRJWTA-FQEVSTJZSA-N 2 2 346.478 3.188 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215892 456319446 /nfs/dbraw/zinc/31/94/46/456319446.db2.gz KYXGYJCWKRIKKF-OALUTQOASA-N 2 2 341.430 3.189 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000340215892 456319454 /nfs/dbraw/zinc/31/94/54/456319454.db2.gz KYXGYJCWKRIKKF-OALUTQOASA-N 2 2 341.430 3.189 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223361 456324089 /nfs/dbraw/zinc/32/40/89/456324089.db2.gz RVVGMQFUXKUPON-OXQOHEQNSA-N 2 2 343.515 3.157 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C2CC2)c1 ZINC000340223361 456324093 /nfs/dbraw/zinc/32/40/93/456324093.db2.gz RVVGMQFUXKUPON-OXQOHEQNSA-N 2 2 343.515 3.157 20 0 EGADLP COCCOc1ccc([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000297928673 456326121 /nfs/dbraw/zinc/32/61/21/456326121.db2.gz UHEKVFXJCILZTF-UHFFFAOYSA-N 2 2 341.455 3.496 20 0 EGADLP CC[C@@H](Nc1cccc(C)[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302250371 456329733 /nfs/dbraw/zinc/32/97/33/456329733.db2.gz WJFYJHZPOXUKBJ-MOPGFXCFSA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@@H](Nc1cccc(C)[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302250371 456329741 /nfs/dbraw/zinc/32/97/41/456329741.db2.gz WJFYJHZPOXUKBJ-MOPGFXCFSA-N 2 2 325.456 3.482 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824808 456340150 /nfs/dbraw/zinc/34/01/50/456340150.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824808 456340159 /nfs/dbraw/zinc/34/01/59/456340159.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824808 456340165 /nfs/dbraw/zinc/34/01/65/456340165.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824808 456340173 /nfs/dbraw/zinc/34/01/73/456340173.db2.gz NGOBKBJSLYUARB-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP COc1cccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000340254401 456343925 /nfs/dbraw/zinc/34/39/25/456343925.db2.gz HLVGVOANMKSGHF-PXNSSMCTSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000340254401 456343929 /nfs/dbraw/zinc/34/39/29/456343929.db2.gz HLVGVOANMKSGHF-PXNSSMCTSA-N 2 2 339.483 3.275 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290510569 456350045 /nfs/dbraw/zinc/35/00/45/456350045.db2.gz PNPQRFNVKVEHRD-UHFFFAOYSA-N 2 2 341.455 3.334 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939539 456353969 /nfs/dbraw/zinc/35/39/69/456353969.db2.gz YROYKDYFBLYNCV-PMACEKPBSA-N 2 2 341.503 3.182 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275939539 456353972 /nfs/dbraw/zinc/35/39/72/456353972.db2.gz YROYKDYFBLYNCV-PMACEKPBSA-N 2 2 341.503 3.182 20 0 EGADLP CCOC(=O)[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)Cc2ccccc21 ZINC000347851502 456405755 /nfs/dbraw/zinc/40/57/55/456405755.db2.gz VXMONTPNDWRITB-FQEVSTJZSA-N 2 2 338.451 3.485 20 0 EGADLP CCOC(=O)[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)Cc2ccccc21 ZINC000347851502 456405760 /nfs/dbraw/zinc/40/57/60/456405760.db2.gz VXMONTPNDWRITB-FQEVSTJZSA-N 2 2 338.451 3.485 20 0 EGADLP COCc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)no1 ZINC000298309815 456421516 /nfs/dbraw/zinc/42/15/16/456421516.db2.gz HWMUNGCJMTXTFV-UHFFFAOYSA-N 2 2 343.471 3.343 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCCc2c[nH+]ccc2C)ccc1OCCO ZINC000347880776 456423633 /nfs/dbraw/zinc/42/36/33/456423633.db2.gz QBSMWZPPTSDUQV-INIZCTEOSA-N 2 2 344.455 3.053 20 0 EGADLP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000298385496 456443247 /nfs/dbraw/zinc/44/32/47/456443247.db2.gz LDORAKLLMIOERF-GOSISDBHSA-N 3 2 338.499 3.161 20 0 EGADLP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000298385496 456443254 /nfs/dbraw/zinc/44/32/54/456443254.db2.gz LDORAKLLMIOERF-GOSISDBHSA-N 3 2 338.499 3.161 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000340425695 456453581 /nfs/dbraw/zinc/45/35/81/456453581.db2.gz NNXMTVXGIAOSHC-CYBMUJFWSA-N 2 2 349.360 3.266 20 0 EGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(O)c1 ZINC000282384370 456496106 /nfs/dbraw/zinc/49/61/06/456496106.db2.gz QWXPTPAECCZJBJ-OAHLLOKOSA-N 2 2 340.471 3.491 20 0 EGADLP [NH3+]CCC[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1 ZINC000303989698 456498545 /nfs/dbraw/zinc/49/85/45/456498545.db2.gz RUCYMFJIEKPPKO-UHFFFAOYSA-N 2 2 328.847 3.339 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1 ZINC000303989698 456498547 /nfs/dbraw/zinc/49/85/47/456498547.db2.gz RUCYMFJIEKPPKO-UHFFFAOYSA-N 2 2 328.847 3.339 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccncc1F ZINC000340511056 456500639 /nfs/dbraw/zinc/50/06/39/456500639.db2.gz YGXXZQIGWLGUSD-WMZOPIPTSA-N 2 2 343.446 3.162 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510797 456501577 /nfs/dbraw/zinc/50/15/77/456501577.db2.gz OPQOVCJHVKDIRX-FCHUYYIVSA-N 2 2 338.495 3.455 20 0 EGADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C)c1 ZINC000340510797 456501579 /nfs/dbraw/zinc/50/15/79/456501579.db2.gz OPQOVCJHVKDIRX-FCHUYYIVSA-N 2 2 338.495 3.455 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000348130875 456505373 /nfs/dbraw/zinc/50/53/73/456505373.db2.gz NHGPPFRAKPZIOI-MRXNPFEDSA-N 2 2 346.500 3.422 20 0 EGADLP c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)cc1 ZINC000340518426 456506112 /nfs/dbraw/zinc/50/61/12/456506112.db2.gz JZMFCMVGPAJBOD-VNTMZGSJSA-N 2 2 326.484 3.371 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340519835 456506648 /nfs/dbraw/zinc/50/66/48/456506648.db2.gz NMTWIONKEVKAKQ-BXWFABGCSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340519835 456506657 /nfs/dbraw/zinc/50/66/57/456506657.db2.gz NMTWIONKEVKAKQ-BXWFABGCSA-N 2 2 325.456 3.404 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(Cc3cccnc3)CC2)s1 ZINC000348134959 456507417 /nfs/dbraw/zinc/50/74/17/456507417.db2.gz QYTAUUVGYHJZLH-UHFFFAOYSA-N 2 2 330.501 3.054 20 0 EGADLP C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000353126923 456508739 /nfs/dbraw/zinc/50/87/39/456508739.db2.gz NLIYJKLFVUTXEE-DEOSSOPVSA-N 2 2 339.464 3.041 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1 ZINC000291073536 456518912 /nfs/dbraw/zinc/51/89/12/456518912.db2.gz SIRMPVVOPDPCCP-RUCARUNLSA-N 2 2 348.462 3.079 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccsc2)C1 ZINC000304960990 456519277 /nfs/dbraw/zinc/51/92/77/456519277.db2.gz MALYTXZKRXACMI-ATZDWAIDSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccsc2)C1 ZINC000304960990 456519284 /nfs/dbraw/zinc/51/92/84/456519284.db2.gz MALYTXZKRXACMI-ATZDWAIDSA-N 2 2 330.497 3.381 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466256 456524442 /nfs/dbraw/zinc/52/44/42/456524442.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466256 456524446 /nfs/dbraw/zinc/52/44/46/456524446.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466256 456524450 /nfs/dbraw/zinc/52/44/50/456524450.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466256 456524453 /nfs/dbraw/zinc/52/44/53/456524453.db2.gz OZTAOGZXQYIFLJ-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515313 456538164 /nfs/dbraw/zinc/53/81/64/456538164.db2.gz OWKILVSGPOYTAF-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP COc1ccnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282515313 456538171 /nfs/dbraw/zinc/53/81/71/456538171.db2.gz OWKILVSGPOYTAF-FQEVSTJZSA-N 2 2 339.483 3.481 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337781014 456541900 /nfs/dbraw/zinc/54/19/00/456541900.db2.gz BCGYHQZBNXCWGE-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000337781014 456541904 /nfs/dbraw/zinc/54/19/04/456541904.db2.gz BCGYHQZBNXCWGE-IBGZPJMESA-N 2 2 339.483 3.481 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000348220732 456544130 /nfs/dbraw/zinc/54/41/30/456544130.db2.gz CFTUESNVJAOBNI-HZPDHXFCSA-N 2 2 330.394 3.396 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)cc2)c1C ZINC000291167242 456551587 /nfs/dbraw/zinc/55/15/87/456551587.db2.gz JFZHACZOOCQGPR-LJQANCHMSA-N 2 2 338.455 3.302 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306543906 456570399 /nfs/dbraw/zinc/57/03/99/456570399.db2.gz TYYOVDPUKBQTEG-OAQYLSRUSA-N 2 2 326.484 3.390 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306543906 456570404 /nfs/dbraw/zinc/57/04/04/456570404.db2.gz TYYOVDPUKBQTEG-OAQYLSRUSA-N 2 2 326.484 3.390 20 0 EGADLP C/C=C/c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000353251568 456586678 /nfs/dbraw/zinc/58/66/78/456586678.db2.gz VGIBOLRALJSCRS-AATRIKPKSA-N 2 2 344.503 3.209 20 0 EGADLP C/C=C/c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000353251568 456586684 /nfs/dbraw/zinc/58/66/84/456586684.db2.gz VGIBOLRALJSCRS-AATRIKPKSA-N 2 2 344.503 3.209 20 0 EGADLP CC[C@]([NH2+]CCCCn1cc[nH+]c1C)(C(=O)OC)c1ccccc1 ZINC000348271212 456586723 /nfs/dbraw/zinc/58/67/23/456586723.db2.gz MIHHTGJYCHAOSZ-LJQANCHMSA-N 2 2 329.444 3.040 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000282692255 456593869 /nfs/dbraw/zinc/59/38/69/456593869.db2.gz KKZFZSZUFYXLPG-RLLQIKCJSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000282692255 456593874 /nfs/dbraw/zinc/59/38/74/456593874.db2.gz KKZFZSZUFYXLPG-RLLQIKCJSA-N 2 2 328.500 3.446 20 0 EGADLP Cc1[nH+]cc(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)n1C ZINC000668043034 462387418 /nfs/dbraw/zinc/38/74/18/462387418.db2.gz HSYWMXIVPPHMSP-UHFFFAOYSA-N 2 2 327.350 3.258 20 0 EGADLP Cc1[nH+]cc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)n1C ZINC000668043034 462387422 /nfs/dbraw/zinc/38/74/22/462387422.db2.gz HSYWMXIVPPHMSP-UHFFFAOYSA-N 2 2 327.350 3.258 20 0 EGADLP COc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000340740690 456660814 /nfs/dbraw/zinc/66/08/14/456660814.db2.gz HXRBPIHQSUZZPH-UHFFFAOYSA-N 2 2 333.435 3.482 20 0 EGADLP COc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000340740690 456660822 /nfs/dbraw/zinc/66/08/22/456660822.db2.gz HXRBPIHQSUZZPH-UHFFFAOYSA-N 2 2 333.435 3.482 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(COC)n1 ZINC000348389002 456661425 /nfs/dbraw/zinc/66/14/25/456661425.db2.gz PZYMDJQFEURXTF-GOEBONIOSA-N 2 2 325.522 3.280 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)Cc2ccccc2N2CCOCC2)c[nH+]1 ZINC000353386278 456664728 /nfs/dbraw/zinc/66/47/28/456664728.db2.gz XCIYVQHJJQJLRN-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP Cc1ccc(CCC[N@H+](C)Cc2ccccc2N2CCOCC2)c[nH+]1 ZINC000353386278 456664730 /nfs/dbraw/zinc/66/47/30/456664730.db2.gz XCIYVQHJJQJLRN-UHFFFAOYSA-N 2 2 339.483 3.291 20 0 EGADLP C[C@H](CNC(=O)c1ccccc1Oc1cc[nH+]cc1)C[NH+]1CCCC1 ZINC000338161582 456675153 /nfs/dbraw/zinc/67/51/53/456675153.db2.gz SDMBZAKDMZPTJJ-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP CC(C)CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496151 456714914 /nfs/dbraw/zinc/71/49/14/456714914.db2.gz LECUXBIEWDKPET-OALUTQOASA-N 2 2 349.519 3.289 20 0 EGADLP CC(C)CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccoc1 ZINC000353496151 456714917 /nfs/dbraw/zinc/71/49/17/456714917.db2.gz LECUXBIEWDKPET-OALUTQOASA-N 2 2 349.519 3.289 20 0 EGADLP Cc1ccc(C(C)C)c2c1[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCO2 ZINC000338230879 456720860 /nfs/dbraw/zinc/72/08/60/456720860.db2.gz PWXLSVZUSRPWJT-VQIMIIECSA-N 2 2 346.515 3.500 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000277212189 456725897 /nfs/dbraw/zinc/72/58/97/456725897.db2.gz NISIMUSBNGBKSK-KRWDZBQOSA-N 2 2 325.456 3.194 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000277212189 456725900 /nfs/dbraw/zinc/72/59/00/456725900.db2.gz NISIMUSBNGBKSK-KRWDZBQOSA-N 2 2 325.456 3.194 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000299633953 456749718 /nfs/dbraw/zinc/74/97/18/456749718.db2.gz WSRSYYRTCHXNRN-SFHVURJKSA-N 2 2 345.531 3.285 20 0 EGADLP Cc1ccc([C@H](C)NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000299633953 456749725 /nfs/dbraw/zinc/74/97/25/456749725.db2.gz WSRSYYRTCHXNRN-SFHVURJKSA-N 2 2 345.531 3.285 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)n2c1 ZINC000353569686 456768672 /nfs/dbraw/zinc/76/86/72/456768672.db2.gz OPVREFJWBPFIBJ-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)n2c1 ZINC000353569686 456768676 /nfs/dbraw/zinc/76/86/76/456768676.db2.gz OPVREFJWBPFIBJ-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(Cl)c1OC ZINC000277307095 456770658 /nfs/dbraw/zinc/77/06/58/456770658.db2.gz BJYGPGXPXAMFGB-AWEZNQCLSA-N 2 2 326.868 3.273 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(Cl)c1OC ZINC000277307095 456770666 /nfs/dbraw/zinc/77/06/66/456770666.db2.gz BJYGPGXPXAMFGB-AWEZNQCLSA-N 2 2 326.868 3.273 20 0 EGADLP Fc1ccc(-n2nccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000353618890 456807143 /nfs/dbraw/zinc/80/71/43/456807143.db2.gz CGCMUEQFAKSUFB-KRWDZBQOSA-N 2 2 342.462 3.319 20 0 EGADLP Fc1ccc(-n2nccc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000353618890 456807150 /nfs/dbraw/zinc/80/71/50/456807150.db2.gz CGCMUEQFAKSUFB-KRWDZBQOSA-N 2 2 342.462 3.319 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000344267964 456813058 /nfs/dbraw/zinc/81/30/58/456813058.db2.gz YNEJDGVSVDBREQ-VQIMIIECSA-N 2 2 326.488 3.426 20 0 EGADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000344267964 456813063 /nfs/dbraw/zinc/81/30/63/456813063.db2.gz YNEJDGVSVDBREQ-VQIMIIECSA-N 2 2 326.488 3.426 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC(F)F)c1 ZINC000277419369 456818607 /nfs/dbraw/zinc/81/86/07/456818607.db2.gz IYPKETLZIWGIFH-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OC(F)F)c1 ZINC000277419369 456818615 /nfs/dbraw/zinc/81/86/15/456818615.db2.gz IYPKETLZIWGIFH-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP c1coc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+]2CCCCC2)c1 ZINC000301195992 456819445 /nfs/dbraw/zinc/81/94/45/456819445.db2.gz ZBOZFLHWOCKYTB-INIZCTEOSA-N 2 2 341.459 3.309 20 0 EGADLP Cc1nc(COc2ccc(C[N@@H+]3C[C@H]4CCC[NH2+][C@@H]4C3)cc2)cs1 ZINC000353683291 456853634 /nfs/dbraw/zinc/85/36/34/456853634.db2.gz DZENYRIZTYWDCD-VQIMIIECSA-N 2 2 343.496 3.214 20 0 EGADLP Cc1nc(COc2ccc(C[N@H+]3C[C@H]4CCC[NH2+][C@@H]4C3)cc2)cs1 ZINC000353683291 456853635 /nfs/dbraw/zinc/85/36/35/456853635.db2.gz DZENYRIZTYWDCD-VQIMIIECSA-N 2 2 343.496 3.214 20 0 EGADLP Cc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510155 456870294 /nfs/dbraw/zinc/87/02/94/456870294.db2.gz YKGONNSODZCIOP-SFHVURJKSA-N 2 2 336.483 3.061 20 0 EGADLP Cc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc(C2CC2)[nH+]1 ZINC000341510155 456870297 /nfs/dbraw/zinc/87/02/97/456870297.db2.gz YKGONNSODZCIOP-SFHVURJKSA-N 2 2 336.483 3.061 20 0 EGADLP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745738 456885114 /nfs/dbraw/zinc/88/51/14/456885114.db2.gz JCHRSKRAIBHRGY-LPHOPBHVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745738 456885119 /nfs/dbraw/zinc/88/51/19/456885119.db2.gz JCHRSKRAIBHRGY-LPHOPBHVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745738 456885125 /nfs/dbraw/zinc/88/51/25/456885125.db2.gz JCHRSKRAIBHRGY-LPHOPBHVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745738 456885128 /nfs/dbraw/zinc/88/51/28/456885128.db2.gz JCHRSKRAIBHRGY-LPHOPBHVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745738 456885133 /nfs/dbraw/zinc/88/51/33/456885133.db2.gz JCHRSKRAIBHRGY-LPHOPBHVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(C)n2-c2ccccc2)C[C@@H]1C ZINC000353745738 456885137 /nfs/dbraw/zinc/88/51/37/456885137.db2.gz JCHRSKRAIBHRGY-LPHOPBHVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752087 456890021 /nfs/dbraw/zinc/89/00/21/456890021.db2.gz ZWTRDRUSUCXPFK-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752087 456890023 /nfs/dbraw/zinc/89/00/23/456890023.db2.gz ZWTRDRUSUCXPFK-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752087 456890024 /nfs/dbraw/zinc/89/00/24/456890024.db2.gz ZWTRDRUSUCXPFK-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000353752087 456890025 /nfs/dbraw/zinc/89/00/25/456890025.db2.gz ZWTRDRUSUCXPFK-GOEBONIOSA-N 2 2 336.476 3.017 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000349194154 456910025 /nfs/dbraw/zinc/91/00/25/456910025.db2.gz RGGALABZLQHGCE-AWEZNQCLSA-N 2 2 341.846 3.453 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000349194154 456910028 /nfs/dbraw/zinc/91/00/28/456910028.db2.gz RGGALABZLQHGCE-AWEZNQCLSA-N 2 2 341.846 3.453 20 0 EGADLP CCSc1cccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000349296819 456935311 /nfs/dbraw/zinc/93/53/11/456935311.db2.gz MULSRUWWHGYEHU-KRWDZBQOSA-N 2 2 347.572 3.399 20 0 EGADLP CCSc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000349296819 456935315 /nfs/dbraw/zinc/93/53/15/456935315.db2.gz MULSRUWWHGYEHU-KRWDZBQOSA-N 2 2 347.572 3.399 20 0 EGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000349320387 456940535 /nfs/dbraw/zinc/94/05/35/456940535.db2.gz VINWMWCZZDNGJM-YOEHRIQHSA-N 2 2 334.460 3.199 20 0 EGADLP Clc1cccc(C[N@H+](CC[C@@H]2CCOC2)CCn2cc[nH+]c2)c1 ZINC000349382499 456958612 /nfs/dbraw/zinc/95/86/12/456958612.db2.gz JIOCKJBMFJWOAW-MRXNPFEDSA-N 2 2 333.863 3.465 20 0 EGADLP Clc1cccc(C[N@@H+](CC[C@@H]2CCOC2)CCn2cc[nH+]c2)c1 ZINC000349382499 456958616 /nfs/dbraw/zinc/95/86/16/456958616.db2.gz JIOCKJBMFJWOAW-MRXNPFEDSA-N 2 2 333.863 3.465 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1C ZINC000353929707 456969962 /nfs/dbraw/zinc/96/99/62/456969962.db2.gz FGJVBSKGLWQXEC-LEAZDLGRSA-N 2 2 344.499 3.391 20 0 EGADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000339180747 456980512 /nfs/dbraw/zinc/98/05/12/456980512.db2.gz HLIGEKLZMSQPOP-IAGOWNOFSA-N 2 2 347.503 3.254 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000349651191 457006859 /nfs/dbraw/zinc/00/68/59/457006859.db2.gz BXIJKGPRXOZRCS-FQEVSTJZSA-N 2 2 346.446 3.331 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1ccccc1 ZINC000349651191 457006861 /nfs/dbraw/zinc/00/68/61/457006861.db2.gz BXIJKGPRXOZRCS-FQEVSTJZSA-N 2 2 346.446 3.331 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018905 457013806 /nfs/dbraw/zinc/01/38/06/457013806.db2.gz SKWOSPUWTHFSPH-LQAWEQHXSA-N 2 2 343.298 3.489 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000354018905 457013811 /nfs/dbraw/zinc/01/38/11/457013811.db2.gz SKWOSPUWTHFSPH-LQAWEQHXSA-N 2 2 343.298 3.489 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000354046942 457030824 /nfs/dbraw/zinc/03/08/24/457030824.db2.gz HJIHDSGWLDDSGA-IBGZPJMESA-N 2 2 343.515 3.093 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000354046942 457030827 /nfs/dbraw/zinc/03/08/27/457030827.db2.gz HJIHDSGWLDDSGA-IBGZPJMESA-N 2 2 343.515 3.093 20 0 EGADLP Cc1cc(N(C)C[C@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663361 457032362 /nfs/dbraw/zinc/03/23/62/457032362.db2.gz LFRJCKYWAYNCMF-MJGOQNOKSA-N 2 2 339.487 3.433 20 0 EGADLP Cc1cc(N(C)C[C@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc(C(C)C)[nH+]1 ZINC000362663361 457032369 /nfs/dbraw/zinc/03/23/69/457032369.db2.gz LFRJCKYWAYNCMF-MJGOQNOKSA-N 2 2 339.487 3.433 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000356535224 457041507 /nfs/dbraw/zinc/04/15/07/457041507.db2.gz XBQIBAIRVFQBQC-DLBZAZTESA-N 2 2 329.469 3.467 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000356535224 457041513 /nfs/dbraw/zinc/04/15/13/457041513.db2.gz XBQIBAIRVFQBQC-DLBZAZTESA-N 2 2 329.469 3.467 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087773 457054552 /nfs/dbraw/zinc/05/45/52/457054552.db2.gz GARKGOBWJYRZBS-INIZCTEOSA-N 2 2 342.462 3.380 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087773 457054559 /nfs/dbraw/zinc/05/45/59/457054559.db2.gz GARKGOBWJYRZBS-INIZCTEOSA-N 2 2 342.462 3.380 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087773 457054566 /nfs/dbraw/zinc/05/45/66/457054566.db2.gz GARKGOBWJYRZBS-INIZCTEOSA-N 2 2 342.462 3.380 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000354087773 457054570 /nfs/dbraw/zinc/05/45/70/457054570.db2.gz GARKGOBWJYRZBS-INIZCTEOSA-N 2 2 342.462 3.380 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000339329013 457057605 /nfs/dbraw/zinc/05/76/05/457057605.db2.gz MENHEDKGGYTFKD-WOJBJXKFSA-N 2 2 344.886 3.373 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000339329013 457057608 /nfs/dbraw/zinc/05/76/08/457057608.db2.gz MENHEDKGGYTFKD-WOJBJXKFSA-N 2 2 344.886 3.373 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000346591364 457063919 /nfs/dbraw/zinc/06/39/19/457063919.db2.gz QDUSMHYJEUMFBI-IAGOWNOFSA-N 2 2 348.450 3.069 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000346591364 457063926 /nfs/dbraw/zinc/06/39/26/457063926.db2.gz QDUSMHYJEUMFBI-IAGOWNOFSA-N 2 2 348.450 3.069 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)[nH]1 ZINC000349833201 457070116 /nfs/dbraw/zinc/07/01/16/457070116.db2.gz QVULKXOZRRCKTL-UHFFFAOYSA-N 2 2 338.480 3.456 20 0 EGADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045786 457076610 /nfs/dbraw/zinc/07/66/10/457076610.db2.gz UVLJJJDFRKEAOG-WMLDXEAASA-N 2 2 338.455 3.023 20 0 EGADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000342045786 457076615 /nfs/dbraw/zinc/07/66/15/457076615.db2.gz UVLJJJDFRKEAOG-WMLDXEAASA-N 2 2 338.455 3.023 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1OC ZINC000342051813 457081137 /nfs/dbraw/zinc/08/11/37/457081137.db2.gz ATSRLZXPLUBJCN-IBGZPJMESA-N 2 2 340.467 3.376 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1OC ZINC000342051813 457081138 /nfs/dbraw/zinc/08/11/38/457081138.db2.gz ATSRLZXPLUBJCN-IBGZPJMESA-N 2 2 340.467 3.376 20 0 EGADLP [NH3+]CCC[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccccc1 ZINC000339405555 457096002 /nfs/dbraw/zinc/09/60/02/457096002.db2.gz BUZBAITUQSZRQA-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccccc1 ZINC000339405555 457096005 /nfs/dbraw/zinc/09/60/05/457096005.db2.gz BUZBAITUQSZRQA-UHFFFAOYSA-N 2 2 338.430 3.362 20 0 EGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359702600 457118672 /nfs/dbraw/zinc/11/86/72/457118672.db2.gz ZZVRLAXMBZNJOM-GJZGRUSLSA-N 2 2 328.909 3.259 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@H]1C ZINC000354204714 457127878 /nfs/dbraw/zinc/12/78/78/457127878.db2.gz GJNFAXQOUPPBBR-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@H]1C ZINC000354204714 457127881 /nfs/dbraw/zinc/12/78/81/457127881.db2.gz GJNFAXQOUPPBBR-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@H]1C ZINC000354204714 457127885 /nfs/dbraw/zinc/12/78/85/457127885.db2.gz GJNFAXQOUPPBBR-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@H]1C ZINC000354204714 457127888 /nfs/dbraw/zinc/12/78/88/457127888.db2.gz GJNFAXQOUPPBBR-SCTDSRPQSA-N 2 2 343.515 3.159 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(COc4ccccc4)n3)C[C@H]21 ZINC000342151243 457137337 /nfs/dbraw/zinc/13/73/37/457137337.db2.gz XFOUKYZUQXQUFF-BMGDILEWSA-N 2 2 343.496 3.281 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(COc4ccccc4)n3)C[C@H]21 ZINC000342151243 457137342 /nfs/dbraw/zinc/13/73/42/457137342.db2.gz XFOUKYZUQXQUFF-BMGDILEWSA-N 2 2 343.496 3.281 20 0 EGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCC[C@@H]2F)CC1 ZINC000339586935 457156264 /nfs/dbraw/zinc/15/62/64/457156264.db2.gz NYILKISAAROEMQ-HOTGVXAUSA-N 2 2 325.859 3.072 20 0 EGADLP Cc1[nH+]ccn1CCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000359948162 457165193 /nfs/dbraw/zinc/16/51/93/457165193.db2.gz YGDGIQIIFJZFDL-UHFFFAOYSA-N 2 2 336.395 3.117 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000359993779 457192691 /nfs/dbraw/zinc/19/26/91/457192691.db2.gz OJPVKEHLZGOYAA-PBHICJAKSA-N 2 2 330.476 3.104 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000359993779 457192695 /nfs/dbraw/zinc/19/26/95/457192695.db2.gz OJPVKEHLZGOYAA-PBHICJAKSA-N 2 2 330.476 3.104 20 0 EGADLP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000347006113 457196224 /nfs/dbraw/zinc/19/62/24/457196224.db2.gz MIPBOLSORUZWDX-QFBILLFUSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000347006113 457196228 /nfs/dbraw/zinc/19/62/28/457196228.db2.gz MIPBOLSORUZWDX-QFBILLFUSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000347006113 457196231 /nfs/dbraw/zinc/19/62/31/457196231.db2.gz MIPBOLSORUZWDX-QFBILLFUSA-N 2 2 329.488 3.156 20 0 EGADLP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000347006113 457196234 /nfs/dbraw/zinc/19/62/34/457196234.db2.gz MIPBOLSORUZWDX-QFBILLFUSA-N 2 2 329.488 3.156 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047764 457224167 /nfs/dbraw/zinc/22/41/67/457224167.db2.gz YNXYKQBXZMOUMU-YPMHNXCESA-N 2 2 326.387 3.184 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccc1OC(F)F ZINC000360047764 457224171 /nfs/dbraw/zinc/22/41/71/457224171.db2.gz YNXYKQBXZMOUMU-YPMHNXCESA-N 2 2 326.387 3.184 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NCCCC1CCCCC1 ZINC000347090088 457225253 /nfs/dbraw/zinc/22/52/53/457225253.db2.gz PKGCVENVTWEWDU-LJQANCHMSA-N 2 2 345.487 3.011 20 0 EGADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NCCCC1CCCCC1 ZINC000347090088 457225257 /nfs/dbraw/zinc/22/52/57/457225257.db2.gz PKGCVENVTWEWDU-LJQANCHMSA-N 2 2 345.487 3.011 20 0 EGADLP CCCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000347127297 457244688 /nfs/dbraw/zinc/24/46/88/457244688.db2.gz YXHPFVQPSOWEMG-NSHDSACASA-N 2 2 345.281 3.026 20 0 EGADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OC ZINC000347127297 457244694 /nfs/dbraw/zinc/24/46/94/457244694.db2.gz YXHPFVQPSOWEMG-NSHDSACASA-N 2 2 345.281 3.026 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000347146945 457255769 /nfs/dbraw/zinc/25/57/69/457255769.db2.gz FYJWLANQBGIQPX-QGZVFWFLSA-N 2 2 327.428 3.307 20 0 EGADLP CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000347146945 457255776 /nfs/dbraw/zinc/25/57/76/457255776.db2.gz FYJWLANQBGIQPX-QGZVFWFLSA-N 2 2 327.428 3.307 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000351979864 457327997 /nfs/dbraw/zinc/32/79/97/457327997.db2.gz YMWRSOZZRLIQNU-LAINMTBBSA-N 2 2 346.515 3.183 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000351979864 457327999 /nfs/dbraw/zinc/32/79/99/457327999.db2.gz YMWRSOZZRLIQNU-LAINMTBBSA-N 2 2 346.515 3.183 20 0 EGADLP C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000357154160 457349307 /nfs/dbraw/zinc/34/93/07/457349307.db2.gz BLFCYBMESSUKTK-UHFFFAOYSA-N 2 2 334.467 3.436 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363565314 457367269 /nfs/dbraw/zinc/36/72/69/457367269.db2.gz CKXRZIQSIQKDGP-RHSMWYFYSA-N 2 2 342.443 3.015 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000363565314 457367274 /nfs/dbraw/zinc/36/72/74/457367274.db2.gz CKXRZIQSIQKDGP-RHSMWYFYSA-N 2 2 342.443 3.015 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)[nH+]1 ZINC000342662704 457438335 /nfs/dbraw/zinc/43/83/35/457438335.db2.gz IYJRMMUDHLDMFJ-UHFFFAOYSA-N 2 2 329.407 3.078 20 0 EGADLP c1cn2c(cccc2C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)[nH+]1 ZINC000342662704 457438340 /nfs/dbraw/zinc/43/83/40/457438340.db2.gz IYJRMMUDHLDMFJ-UHFFFAOYSA-N 2 2 329.407 3.078 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000360944722 457451169 /nfs/dbraw/zinc/45/11/69/457451169.db2.gz AEHDTISJMFCQDV-KRWDZBQOSA-N 3 2 342.462 3.084 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000342686364 457456247 /nfs/dbraw/zinc/45/62/47/457456247.db2.gz AKBXDDJBVBIKMH-KSSFIOAISA-N 2 2 338.455 3.213 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000374141277 457492910 /nfs/dbraw/zinc/49/29/10/457492910.db2.gz HGTGJHFHSWYBPC-AWEZNQCLSA-N 2 2 332.879 3.389 20 0 EGADLP CCOc1ccccc1C1=CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425325980 457499616 /nfs/dbraw/zinc/49/96/16/457499616.db2.gz NCQYMYYUUNBSHF-UHFFFAOYSA-N 2 2 340.471 3.174 20 0 EGADLP CCOc1ccccc1C1=CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425325980 457499621 /nfs/dbraw/zinc/49/96/21/457499621.db2.gz NCQYMYYUUNBSHF-UHFFFAOYSA-N 2 2 340.471 3.174 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)CN1C(=O)OC(C)(C)C ZINC000398976056 457503937 /nfs/dbraw/zinc/50/39/37/457503937.db2.gz YVHADRVIFGOENJ-CVEARBPZSA-N 2 2 336.480 3.041 20 0 EGADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342757766 457504458 /nfs/dbraw/zinc/50/44/58/457504458.db2.gz MMCXBERNPRHDRC-JLSDUUJJSA-N 2 2 349.906 3.028 20 0 EGADLP COCC[N@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1ccccc1 ZINC000347584013 457527801 /nfs/dbraw/zinc/52/78/01/457527801.db2.gz JGFFKPUJHPXPLJ-HNNXBMFYSA-N 2 2 333.501 3.414 20 0 EGADLP COCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)[C@@H](C)c1ccccc1 ZINC000347584013 457527807 /nfs/dbraw/zinc/52/78/07/457527807.db2.gz JGFFKPUJHPXPLJ-HNNXBMFYSA-N 2 2 333.501 3.414 20 0 EGADLP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CCCCCC1 ZINC000357449296 457534619 /nfs/dbraw/zinc/53/46/19/457534619.db2.gz FMKKQGSHMPYWEA-LJQANCHMSA-N 2 2 343.515 3.032 20 0 EGADLP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCCCCC1 ZINC000357449296 457534627 /nfs/dbraw/zinc/53/46/27/457534627.db2.gz FMKKQGSHMPYWEA-LJQANCHMSA-N 2 2 343.515 3.032 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC4(CCC4)[C@@H]3C3CC3)c2cc1C ZINC000357450984 457536586 /nfs/dbraw/zinc/53/65/86/457536586.db2.gz IZNYAIOQZZQROS-PXNSSMCTSA-N 2 2 339.483 3.279 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC4(CCC4)[C@@H]3C3CC3)c2cc1C ZINC000357450984 457536593 /nfs/dbraw/zinc/53/65/93/457536593.db2.gz IZNYAIOQZZQROS-PXNSSMCTSA-N 2 2 339.483 3.279 20 0 EGADLP CC1CCC(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000361063177 457556322 /nfs/dbraw/zinc/55/63/22/457556322.db2.gz ORKSLXAZDJMMHS-UHFFFAOYSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063379 457556996 /nfs/dbraw/zinc/55/69/96/457556996.db2.gz PYALJWWKMAAEJM-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000361064432 457558841 /nfs/dbraw/zinc/55/88/41/457558841.db2.gz DJFNAXYYTGTDNQ-UHFFFAOYSA-N 2 2 347.422 3.217 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000361064432 457558845 /nfs/dbraw/zinc/55/88/45/457558845.db2.gz DJFNAXYYTGTDNQ-UHFFFAOYSA-N 2 2 347.422 3.217 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166373 457572003 /nfs/dbraw/zinc/57/20/03/457572003.db2.gz CNCOVPUJFMMGNY-QZTJIDSGSA-N 2 2 340.471 3.247 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166373 457572006 /nfs/dbraw/zinc/57/20/06/457572006.db2.gz CNCOVPUJFMMGNY-QZTJIDSGSA-N 2 2 340.471 3.247 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)s1 ZINC000352743006 457574618 /nfs/dbraw/zinc/57/46/18/457574618.db2.gz SDGURNGGPUMPLS-OAHLLOKOSA-N 2 2 335.448 3.347 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744934 457576933 /nfs/dbraw/zinc/57/69/33/457576933.db2.gz FYXJTYYLNPZOBZ-MEBBXXQBSA-N 2 2 327.241 3.161 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000352744934 457576940 /nfs/dbraw/zinc/57/69/40/457576940.db2.gz FYXJTYYLNPZOBZ-MEBBXXQBSA-N 2 2 327.241 3.161 20 0 EGADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1-n1cccn1 ZINC000352747099 457577498 /nfs/dbraw/zinc/57/74/98/457577498.db2.gz CVKFPPWWGLDVSQ-AWEZNQCLSA-N 2 2 341.484 3.241 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C(C)(C)C)C3)c2cc1C ZINC000409467369 457600431 /nfs/dbraw/zinc/60/04/31/457600431.db2.gz NTIGQNWPTCYFIA-DLBZAZTESA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C(C)(C)C)C3)c2cc1C ZINC000409467369 457600436 /nfs/dbraw/zinc/60/04/36/457600436.db2.gz NTIGQNWPTCYFIA-DLBZAZTESA-N 2 2 329.488 3.382 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)nc2c1 ZINC000361157309 457619741 /nfs/dbraw/zinc/61/97/41/457619741.db2.gz VVZDRFWDSHUVNO-PXNSSMCTSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccn2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)nc2c1 ZINC000361157309 457619747 /nfs/dbraw/zinc/61/97/47/457619747.db2.gz VVZDRFWDSHUVNO-PXNSSMCTSA-N 2 2 349.482 3.038 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425918 457625167 /nfs/dbraw/zinc/62/51/67/457625167.db2.gz APDZOWLLTFRPQN-FGTMMUONSA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425918 457625172 /nfs/dbraw/zinc/62/51/72/457625172.db2.gz APDZOWLLTFRPQN-FGTMMUONSA-N 2 2 341.455 3.025 20 0 EGADLP CC1(C)C[C@H]([NH2+]C2CCC3(CC2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000361204943 457644211 /nfs/dbraw/zinc/64/42/11/457644211.db2.gz WPRDXZWYYODEMC-IBGZPJMESA-N 2 2 344.499 3.315 20 0 EGADLP CC1(C)C[C@H]([NH2+]C2CCC3(CC2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000361204943 457644214 /nfs/dbraw/zinc/64/42/14/457644214.db2.gz WPRDXZWYYODEMC-IBGZPJMESA-N 2 2 344.499 3.315 20 0 EGADLP CCOC(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000374518573 457646897 /nfs/dbraw/zinc/64/68/97/457646897.db2.gz HDHZSQAUJSQFAH-GOSISDBHSA-N 2 2 334.504 3.276 20 0 EGADLP CCOC(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OCC ZINC000374518573 457646899 /nfs/dbraw/zinc/64/68/99/457646899.db2.gz HDHZSQAUJSQFAH-GOSISDBHSA-N 2 2 334.504 3.276 20 0 EGADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000374577326 457664179 /nfs/dbraw/zinc/66/41/79/457664179.db2.gz RJOJLUIGWFYDRP-SJLPKXTDSA-N 2 2 343.471 3.445 20 0 EGADLP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361292105 457681292 /nfs/dbraw/zinc/68/12/92/457681292.db2.gz XXPPJGZFRZOERJ-QUCCMNQESA-N 2 2 346.515 3.200 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CCN(CC(F)F)CC1)[NH+](C)C ZINC000361456017 457737823 /nfs/dbraw/zinc/73/78/23/457737823.db2.gz HJIPSKSPKURQCG-BEFAXECRSA-N 2 2 339.474 3.305 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000358021154 457741924 /nfs/dbraw/zinc/74/19/24/457741924.db2.gz MKDVONUTLXCQCW-JXFKEZNVSA-N 2 2 326.488 3.043 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000358021154 457741929 /nfs/dbraw/zinc/74/19/29/457741929.db2.gz MKDVONUTLXCQCW-JXFKEZNVSA-N 2 2 326.488 3.043 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc([S@@](C)=O)cc1 ZINC000361498019 457754557 /nfs/dbraw/zinc/75/45/57/457754557.db2.gz RISZHGNQJLFTQG-OYLFLEFRSA-N 2 2 339.464 3.461 20 0 EGADLP CCC(CC)[C@@H](CNC(=O)N[C@H](C)c1[nH+]ccn1CC)[NH+]1CCCC1 ZINC000457634029 457773313 /nfs/dbraw/zinc/77/33/13/457773313.db2.gz ZKXNXOPTUVQMRV-NVXWUHKLSA-N 2 2 349.523 3.164 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531415 457775227 /nfs/dbraw/zinc/77/52/27/457775227.db2.gz RITSXYINGNHRIQ-UKRRQHHQSA-N 2 2 345.409 3.327 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531415 457775231 /nfs/dbraw/zinc/77/52/31/457775231.db2.gz RITSXYINGNHRIQ-UKRRQHHQSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531415 457775238 /nfs/dbraw/zinc/77/52/38/457775238.db2.gz RITSXYINGNHRIQ-UKRRQHHQSA-N 2 2 345.409 3.327 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000361531415 457775242 /nfs/dbraw/zinc/77/52/42/457775242.db2.gz RITSXYINGNHRIQ-UKRRQHHQSA-N 2 2 345.409 3.327 20 0 EGADLP C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358152737 457818177 /nfs/dbraw/zinc/81/81/77/457818177.db2.gz HXKHPQXXYIFQHZ-AUUYWEPGSA-N 2 2 325.387 3.396 20 0 EGADLP Cc1ccc(C[N@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000361748373 457831715 /nfs/dbraw/zinc/83/17/15/457831715.db2.gz RENUKFKGRPKDCI-UHFFFAOYSA-N 2 2 335.451 3.484 20 0 EGADLP Cc1ccc(C[N@@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000361748373 457831722 /nfs/dbraw/zinc/83/17/22/457831722.db2.gz RENUKFKGRPKDCI-UHFFFAOYSA-N 2 2 335.451 3.484 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)[nH+]c2c1 ZINC000444000366 457838006 /nfs/dbraw/zinc/83/80/06/457838006.db2.gz WCHRGQUYJFCUAH-INIZCTEOSA-N 2 2 327.472 3.133 20 0 EGADLP Cc1ccc2c(C)cc(N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)[nH+]c2c1 ZINC000444000366 457838011 /nfs/dbraw/zinc/83/80/11/457838011.db2.gz WCHRGQUYJFCUAH-INIZCTEOSA-N 2 2 327.472 3.133 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289213 457850337 /nfs/dbraw/zinc/85/03/37/457850337.db2.gz IVWJILATIRUVJQ-BZUAXINKSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289213 457850343 /nfs/dbraw/zinc/85/03/43/457850343.db2.gz IVWJILATIRUVJQ-BZUAXINKSA-N 2 2 347.484 3.087 20 0 EGADLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295684 457853376 /nfs/dbraw/zinc/85/33/76/457853376.db2.gz QZQTXKMQUKLYKR-DGGJZMOXSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411295684 457853382 /nfs/dbraw/zinc/85/33/82/457853382.db2.gz QZQTXKMQUKLYKR-DGGJZMOXSA-N 2 2 334.529 3.014 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250046 457888176 /nfs/dbraw/zinc/88/81/76/457888176.db2.gz KVZSDWGTIOJTSE-QRWLVFNGSA-N 2 2 344.430 3.335 20 0 EGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250046 457888182 /nfs/dbraw/zinc/88/81/82/457888182.db2.gz KVZSDWGTIOJTSE-QRWLVFNGSA-N 2 2 344.430 3.335 20 0 EGADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000375355325 457893358 /nfs/dbraw/zinc/89/33/58/457893358.db2.gz WCHXRJJOVVXGTK-AWEZNQCLSA-N 2 2 336.233 3.101 20 0 EGADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000375355325 457893366 /nfs/dbraw/zinc/89/33/66/457893366.db2.gz WCHXRJJOVVXGTK-AWEZNQCLSA-N 2 2 336.233 3.101 20 0 EGADLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(Cl)ccc1OC ZINC000361892116 457936615 /nfs/dbraw/zinc/93/66/15/457936615.db2.gz ZOJHIZFZXBGCEC-YOEHRIQHSA-N 2 2 340.895 3.358 20 0 EGADLP CCCCCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411686627 457950121 /nfs/dbraw/zinc/95/01/21/457950121.db2.gz DLZTXQHAJYXZMD-IBGZPJMESA-N 2 2 345.531 3.183 20 0 EGADLP CCCCCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411686627 457950125 /nfs/dbraw/zinc/95/01/25/457950125.db2.gz DLZTXQHAJYXZMD-IBGZPJMESA-N 2 2 345.531 3.183 20 0 EGADLP Cn1c2ccccc2[nH+]c1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000427504468 457995602 /nfs/dbraw/zinc/99/56/02/457995602.db2.gz KDASQDZVTKEDAZ-GOSISDBHSA-N 2 2 336.439 3.059 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC(c3nc(C)no3)CC1)CCC2 ZINC000368365588 458031985 /nfs/dbraw/zinc/03/19/85/458031985.db2.gz SKKRSNOKDNIGDS-PCKAHOCUSA-N 2 2 329.448 3.076 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435368851 458119964 /nfs/dbraw/zinc/11/99/64/458119964.db2.gz CFIVPTXLXJZYPT-OAHLLOKOSA-N 2 2 338.377 3.075 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435368851 458119969 /nfs/dbraw/zinc/11/99/69/458119969.db2.gz CFIVPTXLXJZYPT-OAHLLOKOSA-N 2 2 338.377 3.075 20 0 EGADLP COc1ccsc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387718 458132352 /nfs/dbraw/zinc/13/23/52/458132352.db2.gz BFJBDYRKNGNGAV-MRXNPFEDSA-N 2 2 331.485 3.296 20 0 EGADLP COc1ccsc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435387718 458132355 /nfs/dbraw/zinc/13/23/55/458132355.db2.gz BFJBDYRKNGNGAV-MRXNPFEDSA-N 2 2 331.485 3.296 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000358668908 458140914 /nfs/dbraw/zinc/14/09/14/458140914.db2.gz UBGMLTCHCFQMTK-YJBOKZPZSA-N 3 2 335.923 3.377 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000358668908 458140918 /nfs/dbraw/zinc/14/09/18/458140918.db2.gz UBGMLTCHCFQMTK-YJBOKZPZSA-N 3 2 335.923 3.377 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1ccc(C)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440378 458147484 /nfs/dbraw/zinc/14/74/84/458147484.db2.gz WECXKESIFVVPRZ-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1ccc(C)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440378 458147489 /nfs/dbraw/zinc/14/74/89/458147489.db2.gz WECXKESIFVVPRZ-KRWDZBQOSA-N 2 2 344.528 3.417 20 0 EGADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1C ZINC000435448193 458149952 /nfs/dbraw/zinc/14/99/52/458149952.db2.gz TZZXUCILNSRGSQ-KRWDZBQOSA-N 2 2 345.512 3.380 20 0 EGADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1C ZINC000435448193 458149962 /nfs/dbraw/zinc/14/99/62/458149962.db2.gz TZZXUCILNSRGSQ-KRWDZBQOSA-N 2 2 345.512 3.380 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C[NH+](C)C)nc3)cc2)c1C ZINC000428604263 458177563 /nfs/dbraw/zinc/17/75/63/458177563.db2.gz WYZYNHKCBMHSRU-UHFFFAOYSA-N 2 2 349.438 3.198 20 0 EGADLP C[C@@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369335780 458177856 /nfs/dbraw/zinc/17/78/56/458177856.db2.gz SUUKSIUKZVQOGI-PXNSSMCTSA-N 2 2 349.563 3.220 20 0 EGADLP C[C@@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369335780 458177858 /nfs/dbraw/zinc/17/78/58/458177858.db2.gz SUUKSIUKZVQOGI-PXNSSMCTSA-N 2 2 349.563 3.220 20 0 EGADLP COc1cc[nH+]cc1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412360520 458180341 /nfs/dbraw/zinc/18/03/41/458180341.db2.gz LNYCRTCODZPGON-UHFFFAOYSA-N 2 2 339.439 3.006 20 0 EGADLP CCc1noc(C)c1C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688216 458185583 /nfs/dbraw/zinc/18/55/83/458185583.db2.gz MZERWOZIVVTDDW-INIZCTEOSA-N 2 2 346.500 3.146 20 0 EGADLP CCc1noc(C)c1C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688216 458185589 /nfs/dbraw/zinc/18/55/89/458185589.db2.gz MZERWOZIVVTDDW-INIZCTEOSA-N 2 2 346.500 3.146 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412398820 458192269 /nfs/dbraw/zinc/19/22/69/458192269.db2.gz LORSWLZYPDHVPQ-MRXNPFEDSA-N 2 2 340.471 3.380 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000459114932 458269358 /nfs/dbraw/zinc/26/93/58/458269358.db2.gz IYLVKDFHGWKJMT-UHFFFAOYSA-N 2 2 346.519 3.352 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000459114932 458269366 /nfs/dbraw/zinc/26/93/66/458269366.db2.gz IYLVKDFHGWKJMT-UHFFFAOYSA-N 2 2 346.519 3.352 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000459290385 458317388 /nfs/dbraw/zinc/31/73/88/458317388.db2.gz BLNWEZJCUNNELJ-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000459290385 458317391 /nfs/dbraw/zinc/31/73/91/458317391.db2.gz BLNWEZJCUNNELJ-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000459290385 458317397 /nfs/dbraw/zinc/31/73/97/458317397.db2.gz BLNWEZJCUNNELJ-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000459290385 458317402 /nfs/dbraw/zinc/31/74/02/458317402.db2.gz BLNWEZJCUNNELJ-CQSZACIVSA-N 2 2 332.517 3.355 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429542000 458342245 /nfs/dbraw/zinc/34/22/45/458342245.db2.gz WWBMUNDMBJGQPO-ZHALLVOQSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429542000 458342251 /nfs/dbraw/zinc/34/22/51/458342251.db2.gz WWBMUNDMBJGQPO-ZHALLVOQSA-N 2 2 343.515 3.159 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000376595123 458347958 /nfs/dbraw/zinc/34/79/58/458347958.db2.gz KSEGXGLOZVXGDW-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000376595123 458347964 /nfs/dbraw/zinc/34/79/64/458347964.db2.gz KSEGXGLOZVXGDW-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000447895513 458363051 /nfs/dbraw/zinc/36/30/51/458363051.db2.gz CEYGRMKCVWVSEX-DNVCBOLYSA-N 2 2 326.488 3.037 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000447895513 458363055 /nfs/dbraw/zinc/36/30/55/458363055.db2.gz CEYGRMKCVWVSEX-DNVCBOLYSA-N 2 2 326.488 3.037 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000447895512 458363195 /nfs/dbraw/zinc/36/31/95/458363195.db2.gz CEYGRMKCVWVSEX-BEFAXECRSA-N 2 2 326.488 3.037 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000447895512 458363200 /nfs/dbraw/zinc/36/32/00/458363200.db2.gz CEYGRMKCVWVSEX-BEFAXECRSA-N 2 2 326.488 3.037 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436749 458371176 /nfs/dbraw/zinc/37/11/76/458371176.db2.gz ZHUFLXHCQLWCAG-OXQOHEQNSA-N 2 2 336.483 3.354 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459436749 458371181 /nfs/dbraw/zinc/37/11/81/458371181.db2.gz ZHUFLXHCQLWCAG-OXQOHEQNSA-N 2 2 336.483 3.354 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1cccc(OCc3ccccn3)c1)CCCC2 ZINC000376728325 458377342 /nfs/dbraw/zinc/37/73/42/458377342.db2.gz JTIFJMQDBYTNHP-UHFFFAOYSA-N 2 2 348.450 3.483 20 0 EGADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376767423 458386643 /nfs/dbraw/zinc/38/66/43/458386643.db2.gz IKUDDVUOGHGVBU-UHFFFAOYSA-N 2 2 325.391 3.038 20 0 EGADLP Clc1ccc(OCC2CC2)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000430024904 458391198 /nfs/dbraw/zinc/39/11/98/458391198.db2.gz JRKDDKBQXHTRBP-MRXNPFEDSA-N 2 2 331.847 3.430 20 0 EGADLP Cc1cc(F)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(Cl)c1 ZINC000459514701 458396952 /nfs/dbraw/zinc/39/69/52/458396952.db2.gz UELMLUGUXREQTI-CQSZACIVSA-N 2 2 328.859 3.378 20 0 EGADLP Cc1cc(F)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(Cl)c1 ZINC000459514701 458396954 /nfs/dbraw/zinc/39/69/54/458396954.db2.gz UELMLUGUXREQTI-CQSZACIVSA-N 2 2 328.859 3.378 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(-n2ccnn2)c1 ZINC000376834078 458400880 /nfs/dbraw/zinc/40/08/80/458400880.db2.gz LVPYKSIPHXQGLC-INIZCTEOSA-N 2 2 344.422 3.304 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(F)cn1 ZINC000376834936 458401465 /nfs/dbraw/zinc/40/14/65/458401465.db2.gz QVGXMHIVTGSGRR-ZDUSSCGKSA-N 2 2 326.375 3.266 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1F ZINC000437008510 458421766 /nfs/dbraw/zinc/42/17/66/458421766.db2.gz SDNQIXGILYFFST-PWSUYJOCSA-N 2 2 338.224 3.450 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105823 458427594 /nfs/dbraw/zinc/42/75/94/458427594.db2.gz FGDNAVVRQAFSPP-QHAWAJNXSA-N 3 2 341.543 3.361 20 0 EGADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437105823 458427599 /nfs/dbraw/zinc/42/75/99/458427599.db2.gz FGDNAVVRQAFSPP-QHAWAJNXSA-N 3 2 341.543 3.361 20 0 EGADLP Brc1cccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423442090 458433905 /nfs/dbraw/zinc/43/39/05/458433905.db2.gz ZACWRZBZADDTEX-XWTMOSNGSA-N 2 2 343.268 3.346 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000423506592 458445751 /nfs/dbraw/zinc/44/57/51/458445751.db2.gz HFZKGQLNXIMSRJ-DOTOQJQBSA-N 2 2 343.446 3.172 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423531421 458451993 /nfs/dbraw/zinc/45/19/93/458451993.db2.gz ZYXHKTMAIDUZGZ-YOEHRIQHSA-N 2 2 345.437 3.186 20 0 EGADLP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423531949 458453854 /nfs/dbraw/zinc/45/38/54/458453854.db2.gz YWEANHWLSVAFDO-UTKZUKDTSA-N 2 2 340.467 3.213 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCC2=CC[NH2+]CC2)CC1 ZINC000423539686 458454811 /nfs/dbraw/zinc/45/48/11/458454811.db2.gz PBLBNHFMHOOXSI-UHFFFAOYSA-N 3 2 333.907 3.204 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423554623 458456982 /nfs/dbraw/zinc/45/69/82/458456982.db2.gz WZQFZOLYKCJDEV-ABSDTBQOSA-N 3 2 347.934 3.282 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccs1 ZINC000423577432 458457965 /nfs/dbraw/zinc/45/79/65/458457965.db2.gz SFBUXYDHJPKGDM-HOCLYGCPSA-N 2 2 336.888 3.263 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558635 458460986 /nfs/dbraw/zinc/46/09/86/458460986.db2.gz WEBKGMFFFUDIHM-WBVHZDCISA-N 2 2 329.513 3.488 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000430558635 458460991 /nfs/dbraw/zinc/46/09/91/458460991.db2.gz WEBKGMFFFUDIHM-WBVHZDCISA-N 2 2 329.513 3.488 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430564844 458462687 /nfs/dbraw/zinc/46/26/87/458462687.db2.gz CTLDPAVJFYZQAB-KCQAQPDRSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000430564844 458462690 /nfs/dbraw/zinc/46/26/90/458462690.db2.gz CTLDPAVJFYZQAB-KCQAQPDRSA-N 2 2 332.423 3.304 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000430571375 458463542 /nfs/dbraw/zinc/46/35/42/458463542.db2.gz CQMRGJDIGZMSMQ-RHSMWYFYSA-N 2 2 339.911 3.165 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000430571375 458463549 /nfs/dbraw/zinc/46/35/49/458463549.db2.gz CQMRGJDIGZMSMQ-RHSMWYFYSA-N 2 2 339.911 3.165 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)c1 ZINC000430579768 458465787 /nfs/dbraw/zinc/46/57/87/458465787.db2.gz KNWZWQVBEOSNEW-HIFRSBDPSA-N 2 2 331.485 3.378 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cs2)c1 ZINC000430579768 458465790 /nfs/dbraw/zinc/46/57/90/458465790.db2.gz KNWZWQVBEOSNEW-HIFRSBDPSA-N 2 2 331.485 3.378 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000430593387 458467813 /nfs/dbraw/zinc/46/78/13/458467813.db2.gz SJGDOAKNBGFUJX-OXQOHEQNSA-N 2 2 341.499 3.322 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000430593387 458467817 /nfs/dbraw/zinc/46/78/17/458467817.db2.gz SJGDOAKNBGFUJX-OXQOHEQNSA-N 2 2 341.499 3.322 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430591419 458468317 /nfs/dbraw/zinc/46/83/17/458468317.db2.gz FKFSXIAHKWODFV-UONOGXRCSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430591419 458468321 /nfs/dbraw/zinc/46/83/21/458468321.db2.gz FKFSXIAHKWODFV-UONOGXRCSA-N 2 2 331.485 3.378 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430590291 458468392 /nfs/dbraw/zinc/46/83/92/458468392.db2.gz KIOQRZRCTWWICN-HXUWFJFHSA-N 2 2 332.451 3.462 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430590291 458468395 /nfs/dbraw/zinc/46/83/95/458468395.db2.gz KIOQRZRCTWWICN-HXUWFJFHSA-N 2 2 332.451 3.462 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430598395 458468751 /nfs/dbraw/zinc/46/87/51/458468751.db2.gz NZXZOKRXQJXIGU-UXLLHSPISA-N 2 2 343.471 3.011 20 0 EGADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430598395 458468757 /nfs/dbraw/zinc/46/87/57/458468757.db2.gz NZXZOKRXQJXIGU-UXLLHSPISA-N 2 2 343.471 3.011 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605194 458470708 /nfs/dbraw/zinc/47/07/08/458470708.db2.gz QAWVYPQRZUSUMY-DYESRHJHSA-N 2 2 343.515 3.095 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000430605194 458470711 /nfs/dbraw/zinc/47/07/11/458470711.db2.gz QAWVYPQRZUSUMY-DYESRHJHSA-N 2 2 343.515 3.095 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612413 458472029 /nfs/dbraw/zinc/47/20/29/458472029.db2.gz RFECRGVXQYCDMA-ZIAGYGMSSA-N 2 2 332.423 3.177 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000430612413 458472034 /nfs/dbraw/zinc/47/20/34/458472034.db2.gz RFECRGVXQYCDMA-ZIAGYGMSSA-N 2 2 332.423 3.177 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373388139 458478735 /nfs/dbraw/zinc/47/87/35/458478735.db2.gz NCUAPCYDYMMWMA-NEPJUHHUSA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cccc(Br)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373388139 458478740 /nfs/dbraw/zinc/47/87/40/458478740.db2.gz NCUAPCYDYMMWMA-NEPJUHHUSA-N 2 2 327.241 3.305 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392564 458479595 /nfs/dbraw/zinc/47/95/95/458479595.db2.gz JLQMXDSAMPRIGO-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392564 458479598 /nfs/dbraw/zinc/47/95/98/458479598.db2.gz JLQMXDSAMPRIGO-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392564 458479600 /nfs/dbraw/zinc/47/96/00/458479600.db2.gz JLQMXDSAMPRIGO-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000373392564 458479605 /nfs/dbraw/zinc/47/96/05/458479605.db2.gz JLQMXDSAMPRIGO-LPHOPBHVSA-N 2 2 340.471 3.026 20 0 EGADLP Cn1c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2[nH+]c1C(C)(C)C ZINC000423809212 458488654 /nfs/dbraw/zinc/48/86/54/458488654.db2.gz JYDFJTXNBHNIBD-TZMCWYRMSA-N 2 2 328.460 3.184 20 0 EGADLP Cn1c2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2[nH+]c1C1CC1 ZINC000423813010 458489423 /nfs/dbraw/zinc/48/94/23/458489423.db2.gz PVHFKCLLVWBPQF-DZGCQCFKSA-N 2 2 326.444 3.297 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430950849 458510019 /nfs/dbraw/zinc/51/00/19/458510019.db2.gz JGCNWKBWBQOWSX-INIZCTEOSA-N 2 2 339.439 3.006 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430950849 458510021 /nfs/dbraw/zinc/51/00/21/458510021.db2.gz JGCNWKBWBQOWSX-INIZCTEOSA-N 2 2 339.439 3.006 20 0 EGADLP CCC[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000430960832 458510938 /nfs/dbraw/zinc/51/09/38/458510938.db2.gz LTLBBAAPHQQYJP-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000430960832 458510942 /nfs/dbraw/zinc/51/09/42/458510942.db2.gz LTLBBAAPHQQYJP-LJQANCHMSA-N 2 2 325.456 3.235 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])c3ccccc3)ccc2n1C1CC1 ZINC000423925781 458513718 /nfs/dbraw/zinc/51/37/18/458513718.db2.gz BQXHKDUTQZOUBD-FQEVSTJZSA-N 2 2 348.450 3.250 20 0 EGADLP COc1ccnc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377778177 458525144 /nfs/dbraw/zinc/52/51/44/458525144.db2.gz XOIXPKYKKNKBGU-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377778177 458525148 /nfs/dbraw/zinc/52/51/48/458525148.db2.gz XOIXPKYKKNKBGU-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377778177 458525153 /nfs/dbraw/zinc/52/51/53/458525153.db2.gz XOIXPKYKKNKBGU-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP COc1ccnc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377778177 458525157 /nfs/dbraw/zinc/52/51/57/458525157.db2.gz XOIXPKYKKNKBGU-RTBURBONSA-N 2 2 337.467 3.044 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn3cc(Cl)ccc3n1)CCC2 ZINC000377831420 458545454 /nfs/dbraw/zinc/54/54/54/458545454.db2.gz MOYBZGUXPISIDH-CYBMUJFWSA-N 2 2 329.835 3.160 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000377890765 458566161 /nfs/dbraw/zinc/56/61/61/458566161.db2.gz YQOYHNWLLOBNSN-HNNXBMFYSA-N 2 2 328.435 3.149 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000377890765 458566167 /nfs/dbraw/zinc/56/61/67/458566167.db2.gz YQOYHNWLLOBNSN-HNNXBMFYSA-N 2 2 328.435 3.149 20 0 EGADLP [NH3+][C@@H](CCC(=O)NCc1cn2ccccc2[nH+]1)CC1CCCCC1 ZINC000424130062 458566732 /nfs/dbraw/zinc/56/67/32/458566732.db2.gz DXYFHYJJHWNWRU-INIZCTEOSA-N 2 2 328.460 3.028 20 0 EGADLP CC(C)Oc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1Cl ZINC000493904641 458596813 /nfs/dbraw/zinc/59/68/13/458596813.db2.gz DVLQZRGHDMZHFO-UHFFFAOYSA-N 2 2 340.895 3.016 20 0 EGADLP CC(C)Oc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1Cl ZINC000493904641 458596819 /nfs/dbraw/zinc/59/68/19/458596819.db2.gz DVLQZRGHDMZHFO-UHFFFAOYSA-N 2 2 340.895 3.016 20 0 EGADLP CCCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OCC ZINC000494392115 458669403 /nfs/dbraw/zinc/66/94/03/458669403.db2.gz NEASTMUVALSHLS-INIZCTEOSA-N 2 2 329.444 3.175 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)sc1Br ZINC000494415965 458672486 /nfs/dbraw/zinc/67/24/86/458672486.db2.gz ZKHXZAGNEZODPH-SNVBAGLBSA-N 2 2 326.263 3.120 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccc4[nH]cnc4c3)C1)CCCC2 ZINC000547691499 458774324 /nfs/dbraw/zinc/77/43/24/458774324.db2.gz SYAPAICDXONKOQ-MRXNPFEDSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccc4[nH]cnc4c3)C1)CCCC2 ZINC000547691499 458774329 /nfs/dbraw/zinc/77/43/29/458774329.db2.gz SYAPAICDXONKOQ-MRXNPFEDSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccc4nc[nH]c4c3)C1)CCCC2 ZINC000547691499 458774333 /nfs/dbraw/zinc/77/43/33/458774333.db2.gz SYAPAICDXONKOQ-MRXNPFEDSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccc4nc[nH]c4c3)C1)CCCC2 ZINC000547691499 458774338 /nfs/dbraw/zinc/77/43/38/458774338.db2.gz SYAPAICDXONKOQ-MRXNPFEDSA-N 2 2 335.455 3.394 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)cc2n1C ZINC000530474729 458774683 /nfs/dbraw/zinc/77/46/83/458774683.db2.gz RHHSXVGKIPPMEQ-CQSZACIVSA-N 2 2 342.487 3.122 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)cc2n1C ZINC000530474729 458774691 /nfs/dbraw/zinc/77/46/91/458774691.db2.gz RHHSXVGKIPPMEQ-CQSZACIVSA-N 2 2 342.487 3.122 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1cn2ccccc2n1 ZINC000547727805 458781020 /nfs/dbraw/zinc/78/10/20/458781020.db2.gz ZDTZJYYCENKLJW-MRXNPFEDSA-N 2 2 331.423 3.430 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCCC1CCCCC1 ZINC000495004974 458782441 /nfs/dbraw/zinc/78/24/41/458782441.db2.gz NQMXPQWBPPUKFP-QGZVFWFLSA-N 2 2 332.492 3.066 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCCC1CCCCC1 ZINC000495004974 458782445 /nfs/dbraw/zinc/78/24/45/458782445.db2.gz NQMXPQWBPPUKFP-QGZVFWFLSA-N 2 2 332.492 3.066 20 0 EGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495054694 458789777 /nfs/dbraw/zinc/78/97/77/458789777.db2.gz WEDYCZBVHLZSMH-GDBMZVCRSA-N 2 2 338.904 3.197 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000474275651 458873460 /nfs/dbraw/zinc/87/34/60/458873460.db2.gz VNFPNRUFTNHKAX-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ccccc1-n1nccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000474275651 458873466 /nfs/dbraw/zinc/87/34/66/458873466.db2.gz VNFPNRUFTNHKAX-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000474275651 458873470 /nfs/dbraw/zinc/87/34/70/458873470.db2.gz VNFPNRUFTNHKAX-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000474275651 458873472 /nfs/dbraw/zinc/87/34/72/458873472.db2.gz VNFPNRUFTNHKAX-IBGZPJMESA-N 2 2 338.499 3.344 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000531145249 458878569 /nfs/dbraw/zinc/87/85/69/458878569.db2.gz ACOCXUUVOUUXRG-MRXNPFEDSA-N 2 2 338.455 3.465 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000531145249 458878574 /nfs/dbraw/zinc/87/85/74/458878574.db2.gz ACOCXUUVOUUXRG-MRXNPFEDSA-N 2 2 338.455 3.465 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCCOCC(F)(F)F)[C@H]2CCC[NH2+]2)cc1 ZINC000518959926 458902541 /nfs/dbraw/zinc/90/25/41/458902541.db2.gz QJQPUVYWLCQOLJ-HZPDHXFCSA-N 2 2 346.393 3.047 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353071 458925580 /nfs/dbraw/zinc/92/55/80/458925580.db2.gz LJHLFSRASSXATP-BCYZHJNNSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441353071 458925583 /nfs/dbraw/zinc/92/55/83/458925583.db2.gz LJHLFSRASSXATP-BCYZHJNNSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441353071 458925587 /nfs/dbraw/zinc/92/55/87/458925587.db2.gz LJHLFSRASSXATP-BCYZHJNNSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441353071 458925591 /nfs/dbraw/zinc/92/55/91/458925591.db2.gz LJHLFSRASSXATP-BCYZHJNNSA-N 2 2 337.552 3.122 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441387563 458933897 /nfs/dbraw/zinc/93/38/97/458933897.db2.gz YCCDYKITDDBUHW-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441387563 458933899 /nfs/dbraw/zinc/93/38/99/458933899.db2.gz YCCDYKITDDBUHW-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441387563 458933901 /nfs/dbraw/zinc/93/39/01/458933901.db2.gz YCCDYKITDDBUHW-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441387563 458933904 /nfs/dbraw/zinc/93/39/04/458933904.db2.gz YCCDYKITDDBUHW-LMMKCTJWSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000531939497 459003413 /nfs/dbraw/zinc/00/34/13/459003413.db2.gz UVQHFEQJOJCLIE-AWEZNQCLSA-N 2 2 326.444 3.244 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCCCC1CCCCC1 ZINC000476568734 459006869 /nfs/dbraw/zinc/00/68/69/459006869.db2.gz HCEBURNFPWZUDB-FQEVSTJZSA-N 2 2 349.563 3.271 20 0 EGADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCCCC1CCCCC1 ZINC000476568734 459006876 /nfs/dbraw/zinc/00/68/76/459006876.db2.gz HCEBURNFPWZUDB-FQEVSTJZSA-N 2 2 349.563 3.271 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cn1cccn1 ZINC000566830478 459006759 /nfs/dbraw/zinc/00/67/59/459006759.db2.gz OZLNYVBSIWZCCK-MRXNPFEDSA-N 2 2 346.906 3.427 20 0 EGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984727 459012481 /nfs/dbraw/zinc/01/24/81/459012481.db2.gz URHZPJSLNPPLGD-OLZOCXBDSA-N 2 2 343.284 3.451 20 0 EGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984727 459012488 /nfs/dbraw/zinc/01/24/88/459012488.db2.gz URHZPJSLNPPLGD-OLZOCXBDSA-N 2 2 343.284 3.451 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442750279 459030679 /nfs/dbraw/zinc/03/06/79/459030679.db2.gz AQMNXGQESNRDQY-KGLIPLIRSA-N 2 2 331.485 3.378 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000442750279 459030685 /nfs/dbraw/zinc/03/06/85/459030685.db2.gz AQMNXGQESNRDQY-KGLIPLIRSA-N 2 2 331.485 3.378 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780470 459034574 /nfs/dbraw/zinc/03/45/74/459034574.db2.gz NQWNDZVVDOVZBC-STQMWFEESA-N 2 2 335.448 3.030 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(COc2ccc(F)cc2)n1 ZINC000442780470 459034580 /nfs/dbraw/zinc/03/45/80/459034580.db2.gz NQWNDZVVDOVZBC-STQMWFEESA-N 2 2 335.448 3.030 20 0 EGADLP O[C@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)Cc1ccccc1C(F)(F)F ZINC000567345801 459090312 /nfs/dbraw/zinc/09/03/12/459090312.db2.gz UTZIZPPLMFOKIV-HNNXBMFYSA-N 2 2 349.356 3.046 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765319 459091780 /nfs/dbraw/zinc/09/17/80/459091780.db2.gz YKNBZPPRMMGSQX-LPHOPBHVSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000577765319 459091786 /nfs/dbraw/zinc/09/17/86/459091786.db2.gz YKNBZPPRMMGSQX-LPHOPBHVSA-N 2 2 337.467 3.028 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000567708468 459150980 /nfs/dbraw/zinc/15/09/80/459150980.db2.gz PFBHVWBCUHXXLD-XLIONFOSSA-N 2 2 337.467 3.268 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]CCC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000567708468 459150982 /nfs/dbraw/zinc/15/09/82/459150982.db2.gz PFBHVWBCUHXXLD-XLIONFOSSA-N 2 2 337.467 3.268 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000567807301 459170164 /nfs/dbraw/zinc/17/01/64/459170164.db2.gz YANOXFYVBBFQOR-UHFFFAOYSA-N 2 2 346.434 3.329 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000567807301 459170167 /nfs/dbraw/zinc/17/01/67/459170167.db2.gz YANOXFYVBBFQOR-UHFFFAOYSA-N 2 2 346.434 3.329 20 0 EGADLP CCc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000533012928 459174414 /nfs/dbraw/zinc/17/44/14/459174414.db2.gz JPHBGCSRRLCZEY-IDPBPBMLSA-N 2 2 348.531 3.006 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000521820843 459180667 /nfs/dbraw/zinc/18/06/67/459180667.db2.gz GZPUJXUVEOKMKQ-NRFANRHFSA-N 2 2 346.515 3.454 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC000521820843 459180672 /nfs/dbraw/zinc/18/06/72/459180672.db2.gz GZPUJXUVEOKMKQ-NRFANRHFSA-N 2 2 346.515 3.454 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000590691272 459184178 /nfs/dbraw/zinc/18/41/78/459184178.db2.gz SKFSXZTWPHBGKL-CQSZACIVSA-N 2 2 333.819 3.160 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1Cl ZINC000590691272 459184180 /nfs/dbraw/zinc/18/41/80/459184180.db2.gz SKFSXZTWPHBGKL-CQSZACIVSA-N 2 2 333.819 3.160 20 0 EGADLP CC[N@@H+](Cc1cc(C(C)=O)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000521894428 459191258 /nfs/dbraw/zinc/19/12/58/459191258.db2.gz RNCIFKNUMFQIDB-UHFFFAOYSA-N 2 2 342.443 3.011 20 0 EGADLP CC[N@H+](Cc1cc(C(C)=O)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000521894428 459191262 /nfs/dbraw/zinc/19/12/62/459191262.db2.gz RNCIFKNUMFQIDB-UHFFFAOYSA-N 2 2 342.443 3.011 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1)C(C)C ZINC000522008333 459202967 /nfs/dbraw/zinc/20/29/67/459202967.db2.gz NOBCYHXGQIFOQI-UHFFFAOYSA-N 2 2 328.460 3.305 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1)C(C)C ZINC000522008333 459202972 /nfs/dbraw/zinc/20/29/72/459202972.db2.gz NOBCYHXGQIFOQI-UHFFFAOYSA-N 2 2 328.460 3.305 20 0 EGADLP CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000568128177 459231915 /nfs/dbraw/zinc/23/19/15/459231915.db2.gz KAMOJHWYTNDIPY-INIZCTEOSA-N 2 2 325.412 3.040 20 0 EGADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000568128177 459231921 /nfs/dbraw/zinc/23/19/21/459231921.db2.gz KAMOJHWYTNDIPY-INIZCTEOSA-N 2 2 325.412 3.040 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)c2ccccc21 ZINC000568154005 459233691 /nfs/dbraw/zinc/23/36/91/459233691.db2.gz BGNGAPCAPYMXDT-WOJBJXKFSA-N 2 2 335.451 3.043 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169205 459237531 /nfs/dbraw/zinc/23/75/31/459237531.db2.gz DIKFTEWCFVMTFH-GUYCJALGSA-N 2 2 336.526 3.070 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169205 459237534 /nfs/dbraw/zinc/23/75/34/459237534.db2.gz DIKFTEWCFVMTFH-GUYCJALGSA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169205 459237540 /nfs/dbraw/zinc/23/75/40/459237540.db2.gz DIKFTEWCFVMTFH-GUYCJALGSA-N 2 2 336.526 3.070 20 0 EGADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000568169205 459237542 /nfs/dbraw/zinc/23/75/42/459237542.db2.gz DIKFTEWCFVMTFH-GUYCJALGSA-N 2 2 336.526 3.070 20 0 EGADLP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000581939544 459280596 /nfs/dbraw/zinc/28/05/96/459280596.db2.gz KQISBIAYMJYKEW-DSKINZAPSA-N 2 2 342.483 3.016 20 0 EGADLP CC[C@@H](C[NH2+][C@H](Cn1cccn1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000559892092 459283618 /nfs/dbraw/zinc/28/36/18/459283618.db2.gz BOLZOMYJERAAKH-LEWJYISDSA-N 2 2 340.515 3.334 20 0 EGADLP CC[C@@H](C[NH2+][C@H](Cn1cccn1)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000559892092 459283626 /nfs/dbraw/zinc/28/36/26/459283626.db2.gz BOLZOMYJERAAKH-LEWJYISDSA-N 2 2 340.515 3.334 20 0 EGADLP Fc1ccc2nc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)oc2c1 ZINC000560045354 459295620 /nfs/dbraw/zinc/29/56/20/459295620.db2.gz UIQJHLSPCIJVKB-UHFFFAOYSA-N 2 2 326.375 3.438 20 0 EGADLP Cc1nc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000560375480 459334314 /nfs/dbraw/zinc/33/43/14/459334314.db2.gz UCSKAWCNNYLOAP-CRAIPNDOSA-N 2 2 344.528 3.091 20 0 EGADLP Cc1nc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000560375481 459334616 /nfs/dbraw/zinc/33/46/16/459334616.db2.gz UCSKAWCNNYLOAP-MAUKXSAKSA-N 2 2 344.528 3.091 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000534580883 459335370 /nfs/dbraw/zinc/33/53/70/459335370.db2.gz UMWMYWLVUUTIDS-MRXNPFEDSA-N 2 2 334.423 3.001 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000534580883 459335375 /nfs/dbraw/zinc/33/53/75/459335375.db2.gz UMWMYWLVUUTIDS-MRXNPFEDSA-N 2 2 334.423 3.001 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000496819902 459336030 /nfs/dbraw/zinc/33/60/30/459336030.db2.gz MNDXQFKCDOECHM-FVQBIDKESA-N 2 2 348.491 3.083 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000496819902 459336033 /nfs/dbraw/zinc/33/60/33/459336033.db2.gz MNDXQFKCDOECHM-FVQBIDKESA-N 2 2 348.491 3.083 20 0 EGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000568869943 459358897 /nfs/dbraw/zinc/35/88/97/459358897.db2.gz FUSVNIYAPOLXPT-WOJBJXKFSA-N 2 2 337.467 3.079 20 0 EGADLP Cc1ccsc1CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000568976569 459375166 /nfs/dbraw/zinc/37/51/66/459375166.db2.gz YFRCUODKQUFZSK-INIZCTEOSA-N 2 2 343.496 3.216 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)Nc1ccccc1 ZINC000560903891 459404880 /nfs/dbraw/zinc/40/48/80/459404880.db2.gz PDOIGSNDCZMSPT-INIZCTEOSA-N 2 2 329.488 3.400 20 0 EGADLP Cc1nc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090875 459426529 /nfs/dbraw/zinc/42/65/29/459426529.db2.gz WCNWXVGNXIAOMX-GOEBONIOSA-N 2 2 328.504 3.151 20 0 EGADLP Cc1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c2c([nH+]1)CCCC2 ZINC000541090875 459426533 /nfs/dbraw/zinc/42/65/33/459426533.db2.gz WCNWXVGNXIAOMX-GOEBONIOSA-N 2 2 328.504 3.151 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866993 459458358 /nfs/dbraw/zinc/45/83/58/459458358.db2.gz LMQILMUJICKUIE-HUUCEWRRSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866993 459458363 /nfs/dbraw/zinc/45/83/63/459458363.db2.gz LMQILMUJICKUIE-HUUCEWRRSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591866933 459458799 /nfs/dbraw/zinc/45/87/99/459458799.db2.gz KDHVNVQQMVLGKZ-HOCLYGCPSA-N 2 2 344.484 3.269 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591866933 459458803 /nfs/dbraw/zinc/45/88/03/459458803.db2.gz KDHVNVQQMVLGKZ-HOCLYGCPSA-N 2 2 344.484 3.269 20 0 EGADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccccc1F ZINC000583010662 459465794 /nfs/dbraw/zinc/46/57/94/459465794.db2.gz GNCSUHKNDPEPEG-UHFFFAOYSA-N 2 2 342.418 3.126 20 0 EGADLP Cc1ccc(CCC[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c[nH+]1 ZINC000497177617 459474394 /nfs/dbraw/zinc/47/43/94/459474394.db2.gz KSAMOCVEECEHAD-RDJZCZTQSA-N 2 2 333.476 3.310 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c[nH+]1 ZINC000497177617 459474399 /nfs/dbraw/zinc/47/43/99/459474399.db2.gz KSAMOCVEECEHAD-RDJZCZTQSA-N 2 2 333.476 3.310 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000569686255 459493570 /nfs/dbraw/zinc/49/35/70/459493570.db2.gz HYMAAFALEJHZOX-HZPDHXFCSA-N 2 2 330.394 3.035 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000569791274 459510635 /nfs/dbraw/zinc/51/06/35/459510635.db2.gz JHRDXARWAJASKF-JXFKEZNVSA-N 2 2 337.467 3.189 20 0 EGADLP COc1cccc(OC)c1OCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000569985706 459543084 /nfs/dbraw/zinc/54/30/84/459543084.db2.gz QQUBTUHBVYAOKB-DLBZAZTESA-N 2 2 348.487 3.031 20 0 EGADLP COc1cccc(OC)c1OCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000569985706 459543088 /nfs/dbraw/zinc/54/30/88/459543088.db2.gz QQUBTUHBVYAOKB-DLBZAZTESA-N 2 2 348.487 3.031 20 0 EGADLP COc1cccc(OC)c1OCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000569985706 459543092 /nfs/dbraw/zinc/54/30/92/459543092.db2.gz QQUBTUHBVYAOKB-DLBZAZTESA-N 2 2 348.487 3.031 20 0 EGADLP COc1cccc(OC)c1OCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000569985706 459543095 /nfs/dbraw/zinc/54/30/95/459543095.db2.gz QQUBTUHBVYAOKB-DLBZAZTESA-N 2 2 348.487 3.031 20 0 EGADLP COc1ccnc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000583591576 459563087 /nfs/dbraw/zinc/56/30/87/459563087.db2.gz WIBBQNFVQPLKRP-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccnc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000583591576 459563094 /nfs/dbraw/zinc/56/30/94/459563094.db2.gz WIBBQNFVQPLKRP-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000583591576 459563100 /nfs/dbraw/zinc/56/31/00/459563100.db2.gz WIBBQNFVQPLKRP-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000583591576 459563105 /nfs/dbraw/zinc/56/31/05/459563105.db2.gz WIBBQNFVQPLKRP-INIZCTEOSA-N 2 2 345.512 3.414 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000562571839 459590780 /nfs/dbraw/zinc/59/07/80/459590780.db2.gz NPFOLHYHKDAFJX-RCCFBDPRSA-N 2 2 342.512 3.379 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000562571839 459590783 /nfs/dbraw/zinc/59/07/83/459590783.db2.gz NPFOLHYHKDAFJX-RCCFBDPRSA-N 2 2 342.512 3.379 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000562579988 459592386 /nfs/dbraw/zinc/59/23/86/459592386.db2.gz JWLDXQDWIQLVMC-MAUKXSAKSA-N 2 2 330.472 3.343 20 0 EGADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000562579988 459592393 /nfs/dbraw/zinc/59/23/93/459592393.db2.gz JWLDXQDWIQLVMC-MAUKXSAKSA-N 2 2 330.472 3.343 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000562673421 459618517 /nfs/dbraw/zinc/61/85/17/459618517.db2.gz XDNFKTQONFORNG-DLBZAZTESA-N 2 2 347.507 3.157 20 0 EGADLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000527298329 459624388 /nfs/dbraw/zinc/62/43/88/459624388.db2.gz BQVURPYORGMJIB-MRXNPFEDSA-N 2 2 348.539 3.292 20 0 EGADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000527298329 459624392 /nfs/dbraw/zinc/62/43/92/459624392.db2.gz BQVURPYORGMJIB-MRXNPFEDSA-N 2 2 348.539 3.292 20 0 EGADLP Cc1cc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000573488857 459685288 /nfs/dbraw/zinc/68/52/88/459685288.db2.gz NUBLREGOYDLNGG-LJQANCHMSA-N 2 2 325.456 3.071 20 0 EGADLP Cc1cc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc(C)c1OCc1ccccn1 ZINC000573488857 459685293 /nfs/dbraw/zinc/68/52/93/459685293.db2.gz NUBLREGOYDLNGG-LJQANCHMSA-N 2 2 325.456 3.071 20 0 EGADLP CCOc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(F)cc1OC ZINC000527665585 459691004 /nfs/dbraw/zinc/69/10/04/459691004.db2.gz GMIULMMANXPPSA-AWEZNQCLSA-N 2 2 347.434 3.405 20 0 EGADLP OCc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1 ZINC000573526692 459691731 /nfs/dbraw/zinc/69/17/31/459691731.db2.gz MIKBCZIHLBBQQR-UHFFFAOYSA-N 2 2 345.830 3.324 20 0 EGADLP OCc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)o1 ZINC000573526692 459691735 /nfs/dbraw/zinc/69/17/35/459691735.db2.gz MIKBCZIHLBBQQR-UHFFFAOYSA-N 2 2 345.830 3.324 20 0 EGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527673223 459695684 /nfs/dbraw/zinc/69/56/84/459695684.db2.gz GJIGLDFHAHRIAL-KBPBESRZSA-N 2 2 348.434 3.234 20 0 EGADLP CC1(C)CCC[C@H]1Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000543770629 459698840 /nfs/dbraw/zinc/69/88/40/459698840.db2.gz YHEMEJZWSDWAKZ-GOSISDBHSA-N 2 2 342.487 3.428 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2C(F)(F)F)CCCO1 ZINC000527702635 459706871 /nfs/dbraw/zinc/70/68/71/459706871.db2.gz ZKKOWXYWBQXKLC-LBPRGKRZSA-N 2 2 336.423 3.357 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccsc2C(F)(F)F)CCCO1 ZINC000527702635 459706864 /nfs/dbraw/zinc/70/68/64/459706864.db2.gz ZKKOWXYWBQXKLC-LBPRGKRZSA-N 2 2 336.423 3.357 20 0 EGADLP Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000584346890 459716187 /nfs/dbraw/zinc/71/61/87/459716187.db2.gz LEHWOFYSFIBYIR-YFVAEKQCSA-N 2 2 342.483 3.016 20 0 EGADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360881 459752088 /nfs/dbraw/zinc/75/20/88/459752088.db2.gz UXQWWDJWUXSMLZ-IFXJQAMLSA-N 2 2 331.410 3.381 20 0 EGADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000544360881 459752092 /nfs/dbraw/zinc/75/20/92/459752092.db2.gz UXQWWDJWUXSMLZ-IFXJQAMLSA-N 2 2 331.410 3.381 20 0 EGADLP COc1ccc(C[NH+]2CCC(CNc3[nH+]cccc3OC)CC2)cc1 ZINC000527870900 459763003 /nfs/dbraw/zinc/76/30/03/459763003.db2.gz OUKLCCBODJICGD-UHFFFAOYSA-N 2 2 341.455 3.423 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978512 459764138 /nfs/dbraw/zinc/76/41/38/459764138.db2.gz BCJNWHZXJXKCNN-GDBMZVCRSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978512 459764141 /nfs/dbraw/zinc/76/41/41/459764141.db2.gz BCJNWHZXJXKCNN-GDBMZVCRSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978518 459764793 /nfs/dbraw/zinc/76/47/93/459764793.db2.gz BCJNWHZXJXKCNN-ZBFHGGJFSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978518 459764797 /nfs/dbraw/zinc/76/47/97/459764797.db2.gz BCJNWHZXJXKCNN-ZBFHGGJFSA-N 2 2 337.427 3.329 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000574455521 459820617 /nfs/dbraw/zinc/82/06/17/459820617.db2.gz CDFNRHFWCSSKPS-INIZCTEOSA-N 2 2 336.451 3.293 20 0 EGADLP COc1cc(F)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1OC ZINC000574455521 459820621 /nfs/dbraw/zinc/82/06/21/459820621.db2.gz CDFNRHFWCSSKPS-INIZCTEOSA-N 2 2 336.451 3.293 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566229855 459826887 /nfs/dbraw/zinc/82/68/87/459826887.db2.gz PIVVCZRQLVJVPM-IAGOWNOFSA-N 2 2 338.499 3.211 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566229855 459826893 /nfs/dbraw/zinc/82/68/93/459826893.db2.gz PIVVCZRQLVJVPM-IAGOWNOFSA-N 2 2 338.499 3.211 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1F ZINC000566352125 459849072 /nfs/dbraw/zinc/84/90/72/459849072.db2.gz WWRWTJUYJZTIPS-LBPRGKRZSA-N 2 2 333.220 3.205 20 0 EGADLP O=C(NCC[C@H]1CCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000574739348 459863229 /nfs/dbraw/zinc/86/32/29/459863229.db2.gz NUPGBLJLHGFZBJ-CQSZACIVSA-N 2 2 326.400 3.138 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc3cc(C)ccc3o2)CC1 ZINC000597210632 459877785 /nfs/dbraw/zinc/87/77/85/459877785.db2.gz URMOGSQDWCGAFG-UHFFFAOYSA-N 2 2 344.455 3.248 20 0 EGADLP COC(=O)[C@H]1CC12CC[NH+](Cc1[nH+]c(C(C)C)n3ccccc13)CC2 ZINC000593576010 459925266 /nfs/dbraw/zinc/92/52/66/459925266.db2.gz LKPCJXGTHISYDW-OAHLLOKOSA-N 2 2 341.455 3.233 20 0 EGADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000575115186 459929305 /nfs/dbraw/zinc/92/93/05/459929305.db2.gz IHSKSKGQNKMNDD-OXQOHEQNSA-N 2 2 347.466 3.022 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc3ccsc32)CC1 ZINC000593643156 459940297 /nfs/dbraw/zinc/94/02/97/459940297.db2.gz WSCIJUMRZXLPQL-UHFFFAOYSA-N 2 2 346.496 3.409 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1csc2ccccc12 ZINC000588688777 459968921 /nfs/dbraw/zinc/96/89/21/459968921.db2.gz VPGOFSLHLHYDJP-SFHVURJKSA-N 2 2 340.492 3.484 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1csc2ccccc12 ZINC000588688777 459968927 /nfs/dbraw/zinc/96/89/27/459968927.db2.gz VPGOFSLHLHYDJP-SFHVURJKSA-N 2 2 340.492 3.484 20 0 EGADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)[nH]1 ZINC000602505095 459972871 /nfs/dbraw/zinc/97/28/71/459972871.db2.gz SHIJVBSIGDACKB-INIZCTEOSA-N 2 2 347.484 3.180 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602566112 459998715 /nfs/dbraw/zinc/99/87/15/459998715.db2.gz DFRTYECQJXVKOY-XKUMEKFISA-N 2 2 334.529 3.101 20 0 EGADLP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602566112 459998720 /nfs/dbraw/zinc/99/87/20/459998720.db2.gz DFRTYECQJXVKOY-XKUMEKFISA-N 2 2 334.529 3.101 20 0 EGADLP C[C@H]([NH2+]CCC(=O)Nc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000576031334 460056554 /nfs/dbraw/zinc/05/65/54/460056554.db2.gz NXSCUMKRRMKAFA-OXJNMPFZSA-N 2 2 325.456 3.296 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783601 460061819 /nfs/dbraw/zinc/06/18/19/460061819.db2.gz DGZRMXLFUWJBFK-UWJYYQICSA-N 2 2 332.451 3.315 20 0 EGADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783601 460061826 /nfs/dbraw/zinc/06/18/26/460061826.db2.gz DGZRMXLFUWJBFK-UWJYYQICSA-N 2 2 332.451 3.315 20 0 EGADLP Cn1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC000589644424 460120529 /nfs/dbraw/zinc/12/05/29/460120529.db2.gz OOLJBTXGXCPEBB-UHFFFAOYSA-N 2 2 335.386 3.188 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004892 460157107 /nfs/dbraw/zinc/15/71/07/460157107.db2.gz WCWKLVRQHCCDQT-DOMZBBRYSA-N 2 2 332.341 3.080 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C2 ZINC000622004892 460157114 /nfs/dbraw/zinc/15/71/14/460157114.db2.gz WCWKLVRQHCCDQT-DOMZBBRYSA-N 2 2 332.341 3.080 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[NH2+]1 ZINC000625860733 460285774 /nfs/dbraw/zinc/28/57/74/460285774.db2.gz NJXGWIXOLPYARY-DZGCQCFKSA-N 2 2 326.400 3.136 20 0 EGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000615316399 460308769 /nfs/dbraw/zinc/30/87/69/460308769.db2.gz SYKNFQDLSJYMAC-HUUCEWRRSA-N 2 2 328.460 3.461 20 0 EGADLP Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000615316399 460308773 /nfs/dbraw/zinc/30/87/73/460308773.db2.gz SYKNFQDLSJYMAC-HUUCEWRRSA-N 2 2 328.460 3.461 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000626087462 460366581 /nfs/dbraw/zinc/36/65/81/460366581.db2.gz OSASSMHMRJDQFX-UHFFFAOYSA-N 2 2 332.488 3.080 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+]CCc3c[nH+]cn3C)cs2)cc1 ZINC000623086341 460406302 /nfs/dbraw/zinc/40/63/02/460406302.db2.gz LGLBQVSNKLMAJN-UHFFFAOYSA-N 2 2 342.468 3.096 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000623089058 460408209 /nfs/dbraw/zinc/40/82/09/460408209.db2.gz SLHAHWJYLGYHFK-UHFFFAOYSA-N 2 2 335.398 3.408 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000628452737 460417202 /nfs/dbraw/zinc/41/72/02/460417202.db2.gz RSIFRUKXECONHM-UHFFFAOYSA-N 2 2 349.862 3.168 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000628475893 460431081 /nfs/dbraw/zinc/43/10/81/460431081.db2.gz HCBUHGCKVKXQTE-SOFGYWHQSA-N 2 2 344.499 3.285 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000628475894 460431355 /nfs/dbraw/zinc/43/13/55/460431355.db2.gz HCBUHGCKVKXQTE-VURMDHGXSA-N 2 2 344.499 3.285 20 0 EGADLP COc1cccc([C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000634678314 460471907 /nfs/dbraw/zinc/47/19/07/460471907.db2.gz PHANIZZUNUVQJG-PKOBYXMFSA-N 2 2 332.488 3.379 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703474 460486204 /nfs/dbraw/zinc/48/62/04/460486204.db2.gz WSBYMVFMIAIJNL-PKOBYXMFSA-N 2 2 345.512 3.129 20 0 EGADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703474 460486209 /nfs/dbraw/zinc/48/62/09/460486209.db2.gz WSBYMVFMIAIJNL-PKOBYXMFSA-N 2 2 345.512 3.129 20 0 EGADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631649462 460487949 /nfs/dbraw/zinc/48/79/49/460487949.db2.gz XJVUXEWCPCWMHE-LPHOPBHVSA-N 2 2 341.499 3.332 20 0 EGADLP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631649464 460488044 /nfs/dbraw/zinc/48/80/44/460488044.db2.gz XJVUXEWCPCWMHE-VQIMIIECSA-N 2 2 341.499 3.332 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623342284 460498974 /nfs/dbraw/zinc/49/89/74/460498974.db2.gz QJZVIQDDDXCJPF-UHFFFAOYSA-N 2 2 326.282 3.117 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623352825 460505659 /nfs/dbraw/zinc/50/56/59/460505659.db2.gz PGAAEKNBXUAKDG-UHFFFAOYSA-N 2 2 325.447 3.241 20 0 EGADLP Fc1c(Br)ccc(C[NH2+]CCCCn2cc[nH+]c2)c1F ZINC000623371834 460513421 /nfs/dbraw/zinc/51/34/21/460513421.db2.gz VEAUXYFNLOAUKE-UHFFFAOYSA-N 2 2 344.203 3.494 20 0 EGADLP C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000628750848 460525851 /nfs/dbraw/zinc/52/58/51/460525851.db2.gz ONRFTTKWFLTGRS-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP C[N@H+]1CCCC[C@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000628750848 460525856 /nfs/dbraw/zinc/52/58/56/460525856.db2.gz ONRFTTKWFLTGRS-MRXNPFEDSA-N 2 2 339.439 3.336 20 0 EGADLP Cc1cc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)cc(C)[nH+]1 ZINC000616364679 460537672 /nfs/dbraw/zinc/53/76/72/460537672.db2.gz MPZZBMBVRFGUIO-UHFFFAOYSA-N 2 2 348.450 3.098 20 0 EGADLP Cc1cc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)cc(C)[nH+]1 ZINC000616364679 460537678 /nfs/dbraw/zinc/53/76/78/460537678.db2.gz MPZZBMBVRFGUIO-UHFFFAOYSA-N 2 2 348.450 3.098 20 0 EGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ncc(Br)cc1F)C(C)(C)C ZINC000623421921 460539547 /nfs/dbraw/zinc/53/95/47/460539547.db2.gz BONAICKCANCRAH-CQSZACIVSA-N 2 2 346.288 3.439 20 0 EGADLP O=C(Cc1cn2ccccc2[nH+]1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000606815505 460741745 /nfs/dbraw/zinc/74/17/45/460741745.db2.gz XOWADHZOEUHTTO-UHFFFAOYSA-N 2 2 348.450 3.006 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000623868825 460752526 /nfs/dbraw/zinc/75/25/26/460752526.db2.gz IIYOEXZPVMUPOG-MRXNPFEDSA-N 2 2 344.528 3.050 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)n1 ZINC000623868825 460752533 /nfs/dbraw/zinc/75/25/33/460752533.db2.gz IIYOEXZPVMUPOG-MRXNPFEDSA-N 2 2 344.528 3.050 20 0 EGADLP Cc1csc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000623885545 460761035 /nfs/dbraw/zinc/76/10/35/460761035.db2.gz AXYFSPVOLXKEOB-AEFFLSMTSA-N 2 2 344.528 3.091 20 0 EGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892117 460763351 /nfs/dbraw/zinc/76/33/51/460763351.db2.gz FJLZRLLGGXELIA-KSSFIOAISA-N 2 2 346.906 3.034 20 0 EGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000623892117 460763356 /nfs/dbraw/zinc/76/33/56/460763356.db2.gz FJLZRLLGGXELIA-KSSFIOAISA-N 2 2 346.906 3.034 20 0 EGADLP Cc1cn2ccc(C(=O)N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cc2[nH+]1 ZINC000635451475 460791800 /nfs/dbraw/zinc/79/18/00/460791800.db2.gz RZNNCZMMECUDSH-JZXOWHBKSA-N 2 2 340.471 3.120 20 0 EGADLP Cc1cn2ccc(C(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cc2[nH+]1 ZINC000635451475 460791806 /nfs/dbraw/zinc/79/18/06/460791806.db2.gz RZNNCZMMECUDSH-JZXOWHBKSA-N 2 2 340.471 3.120 20 0 EGADLP Cc1cn2ccc(C(=O)N3CCC[C@@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)cc2[nH+]1 ZINC000635451477 460791869 /nfs/dbraw/zinc/79/18/69/460791869.db2.gz RZNNCZMMECUDSH-SOLBZPMBSA-N 2 2 340.471 3.120 20 0 EGADLP Cc1cn2ccc(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cc2[nH+]1 ZINC000635451477 460791870 /nfs/dbraw/zinc/79/18/70/460791870.db2.gz RZNNCZMMECUDSH-SOLBZPMBSA-N 2 2 340.471 3.120 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)Cn3cc[nH+]c3C(C)C)c2C1 ZINC000635482779 460805623 /nfs/dbraw/zinc/80/56/23/460805623.db2.gz ICRHWQNNNMFZIJ-UHFFFAOYSA-N 2 2 326.444 3.371 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)Cn3cc[nH+]c3C(C)C)c2C1 ZINC000635482779 460805629 /nfs/dbraw/zinc/80/56/29/460805629.db2.gz ICRHWQNNNMFZIJ-UHFFFAOYSA-N 2 2 326.444 3.371 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000629559324 460807251 /nfs/dbraw/zinc/80/72/51/460807251.db2.gz ASRIXFJWPAWCMD-WDEREUQCSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CC[C@H]1C(F)(F)F ZINC000629559324 460807254 /nfs/dbraw/zinc/80/72/54/460807254.db2.gz ASRIXFJWPAWCMD-WDEREUQCSA-N 2 2 329.391 3.255 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](CCc2c(F)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561572 460809286 /nfs/dbraw/zinc/80/92/86/460809286.db2.gz JMKGSYMFPYBPIB-PWSUYJOCSA-N 2 2 338.776 3.481 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](CCc2c(F)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629561572 460809293 /nfs/dbraw/zinc/80/92/93/460809293.db2.gz JMKGSYMFPYBPIB-PWSUYJOCSA-N 2 2 338.776 3.481 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@H]1C(F)(F)F ZINC000629563448 460810267 /nfs/dbraw/zinc/81/02/67/460810267.db2.gz QHMDLWQSLPSPOS-UKRRQHHQSA-N 2 2 339.361 3.301 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)no2)CC[C@H]1C(F)(F)F ZINC000629563448 460810270 /nfs/dbraw/zinc/81/02/70/460810270.db2.gz QHMDLWQSLPSPOS-UKRRQHHQSA-N 2 2 339.361 3.301 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606661 460825836 /nfs/dbraw/zinc/82/58/36/460825836.db2.gz KWHLXFZFPIMQJA-RDTXWAMCSA-N 2 2 347.890 3.243 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606661 460825845 /nfs/dbraw/zinc/82/58/45/460825845.db2.gz KWHLXFZFPIMQJA-RDTXWAMCSA-N 2 2 347.890 3.243 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629652783 460847471 /nfs/dbraw/zinc/84/74/71/460847471.db2.gz BYGYXMYHZXLCJT-KGLIPLIRSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629652783 460847472 /nfs/dbraw/zinc/84/74/72/460847472.db2.gz BYGYXMYHZXLCJT-KGLIPLIRSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC ZINC000629654934 460848965 /nfs/dbraw/zinc/84/89/65/460848965.db2.gz JVPOXZGDQSHRAM-UONOGXRCSA-N 2 2 346.393 3.053 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1OC ZINC000629654934 460848975 /nfs/dbraw/zinc/84/89/75/460848975.db2.gz JVPOXZGDQSHRAM-UONOGXRCSA-N 2 2 346.393 3.053 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624333779 460963778 /nfs/dbraw/zinc/96/37/78/460963778.db2.gz WSGVBEPBQNBBCV-WBVHZDCISA-N 2 2 334.529 3.439 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624333779 460963784 /nfs/dbraw/zinc/96/37/84/460963784.db2.gz WSGVBEPBQNBBCV-WBVHZDCISA-N 2 2 334.529 3.439 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624332963 460964148 /nfs/dbraw/zinc/96/41/48/460964148.db2.gz DPIXCTPEOYHZEF-ICSRJNTNSA-N 2 2 346.515 3.009 20 0 EGADLP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624332963 460964153 /nfs/dbraw/zinc/96/41/53/460964153.db2.gz DPIXCTPEOYHZEF-ICSRJNTNSA-N 2 2 346.515 3.009 20 0 EGADLP Cc1[nH]c(CN2CC[NH+](Cc3cccc4ccccc43)CC2)[nH+]c1C ZINC000628122999 461008707 /nfs/dbraw/zinc/00/87/07/461008707.db2.gz VHNUBQMLFRWXOA-UHFFFAOYSA-N 2 2 334.467 3.498 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1 ZINC000652351559 461146462 /nfs/dbraw/zinc/14/64/62/461146462.db2.gz GGXQWVHYBFPCMB-DOXZYTNZSA-N 2 2 349.906 3.345 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1 ZINC000652351559 461146467 /nfs/dbraw/zinc/14/64/67/461146467.db2.gz GGXQWVHYBFPCMB-DOXZYTNZSA-N 2 2 349.906 3.345 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1F ZINC000652351656 461147279 /nfs/dbraw/zinc/14/72/79/461147279.db2.gz OIJYPRSHHOGOSO-RFUYNDQBSA-N 2 2 344.434 3.306 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1F ZINC000652351656 461147291 /nfs/dbraw/zinc/14/72/91/461147291.db2.gz OIJYPRSHHOGOSO-RFUYNDQBSA-N 2 2 344.434 3.306 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@H]1CC[NH3+] ZINC000652353617 461147612 /nfs/dbraw/zinc/14/76/12/461147612.db2.gz VABOAXPHEGIDMH-QAPCUYQASA-N 2 2 331.504 3.372 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)[C@H]1CC[NH3+] ZINC000652353617 461147619 /nfs/dbraw/zinc/14/76/19/461147619.db2.gz VABOAXPHEGIDMH-QAPCUYQASA-N 2 2 331.504 3.372 20 0 EGADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668163770 461149969 /nfs/dbraw/zinc/14/99/69/461149969.db2.gz IVNVUVPIMSDIPC-UHFFFAOYSA-N 2 2 343.475 3.373 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353882 461151464 /nfs/dbraw/zinc/15/14/64/461151464.db2.gz GJINZOMTGAHCCC-PBHICJAKSA-N 2 2 328.460 3.248 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])n2)cc1 ZINC000652353882 461151478 /nfs/dbraw/zinc/15/14/78/461151478.db2.gz GJINZOMTGAHCCC-PBHICJAKSA-N 2 2 328.460 3.248 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364010 461157078 /nfs/dbraw/zinc/15/70/78/461157078.db2.gz UXFYVVBAYVTBLK-UHOFOFEASA-N 2 2 344.286 3.249 20 0 EGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(Cl)cc2Cl)C1 ZINC000652364010 461157089 /nfs/dbraw/zinc/15/70/89/461157089.db2.gz UXFYVVBAYVTBLK-UHOFOFEASA-N 2 2 344.286 3.249 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000662276672 461161218 /nfs/dbraw/zinc/16/12/18/461161218.db2.gz OHAFTAKMZAUMNO-IUODEOHRSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1ccc(OC(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000662276672 461161223 /nfs/dbraw/zinc/16/12/23/461161223.db2.gz OHAFTAKMZAUMNO-IUODEOHRSA-N 2 2 328.378 3.391 20 0 EGADLP Cc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)no1 ZINC000662292835 461171053 /nfs/dbraw/zinc/17/10/53/461171053.db2.gz OXVDFKRZHKUSGF-KRWDZBQOSA-N 2 2 340.471 3.257 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)n1C ZINC000668281803 461224000 /nfs/dbraw/zinc/22/40/00/461224000.db2.gz CLQKGJJWWKIXRK-GVDBMIGSSA-N 2 2 326.488 3.212 20 0 EGADLP Cc1[nH+]cc(CN2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)n1C ZINC000668281803 461224006 /nfs/dbraw/zinc/22/40/06/461224006.db2.gz CLQKGJJWWKIXRK-GVDBMIGSSA-N 2 2 326.488 3.212 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2[nH+]1 ZINC000655444313 461255095 /nfs/dbraw/zinc/25/50/95/461255095.db2.gz AWPZCSVZPURUGB-AUUYWEPGSA-N 2 2 326.444 3.234 20 0 EGADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000649696082 461280108 /nfs/dbraw/zinc/28/01/08/461280108.db2.gz SZTULWVDLMFWND-UHFFFAOYSA-N 2 2 339.270 3.092 20 0 EGADLP CC(C)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668617701 461356897 /nfs/dbraw/zinc/35/68/97/461356897.db2.gz LDZZHZKBGCEDPZ-FQEVSTJZSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668617701 461356901 /nfs/dbraw/zinc/35/69/01/461356901.db2.gz LDZZHZKBGCEDPZ-FQEVSTJZSA-N 2 2 343.515 3.051 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000655680489 461359807 /nfs/dbraw/zinc/35/98/07/461359807.db2.gz MXCXXWVNRFXWAQ-UJFHANGKSA-N 2 2 332.532 3.434 20 0 EGADLP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655695542 461367232 /nfs/dbraw/zinc/36/72/32/461367232.db2.gz MNWRGOJMCIYMMX-GOSISDBHSA-N 2 2 340.467 3.191 20 0 EGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCn4ccnc43)C2)c1 ZINC000655703442 461373954 /nfs/dbraw/zinc/37/39/54/461373954.db2.gz GNHBBWLFJOLXER-NVXWUHKLSA-N 2 2 330.501 3.281 20 0 EGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCn4ccnc43)C2)c1 ZINC000655703442 461373962 /nfs/dbraw/zinc/37/39/62/461373962.db2.gz GNHBBWLFJOLXER-NVXWUHKLSA-N 2 2 330.501 3.281 20 0 EGADLP Cc1cc(C)c(CNC(=O)N(C)CCCC[NH+]2CCCCC2)c[nH+]1 ZINC000641832471 461393430 /nfs/dbraw/zinc/39/34/30/461393430.db2.gz QGBHVJMTVCUGOX-UHFFFAOYSA-N 2 2 332.492 3.106 20 0 EGADLP CCOc1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737030 461405851 /nfs/dbraw/zinc/40/58/51/461405851.db2.gz JIETVKWUQSKICC-QGZVFWFLSA-N 2 2 338.879 3.082 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000655768085 461432399 /nfs/dbraw/zinc/43/23/99/461432399.db2.gz PEMLFUVKUIICAQ-TXPKVOOTSA-N 2 2 325.456 3.404 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000655768085 461432407 /nfs/dbraw/zinc/43/24/07/461432407.db2.gz PEMLFUVKUIICAQ-TXPKVOOTSA-N 2 2 325.456 3.404 20 0 EGADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000631041212 461493314 /nfs/dbraw/zinc/49/33/14/461493314.db2.gz UHKJQWOVXFOHQL-UHFFFAOYSA-N 2 2 326.282 3.054 20 0 EGADLP CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653087527 461494916 /nfs/dbraw/zinc/49/49/16/461494916.db2.gz ZNFHIHMMDBYEMF-LBPRGKRZSA-N 2 2 329.897 3.058 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849364 461496479 /nfs/dbraw/zinc/49/64/79/461496479.db2.gz UMUQUOJTCDCMOS-KYNGSXCRSA-N 2 2 345.487 3.321 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849364 461496485 /nfs/dbraw/zinc/49/64/85/461496485.db2.gz UMUQUOJTCDCMOS-KYNGSXCRSA-N 2 2 345.487 3.321 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN4CCCC[C@@H]34)CC2)cc1 ZINC000655850462 461497969 /nfs/dbraw/zinc/49/79/69/461497969.db2.gz VSSFQEAGCPNHKV-SFTDATJTSA-N 2 2 327.516 3.258 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850313 461498879 /nfs/dbraw/zinc/49/88/79/461498879.db2.gz UORZLGVFLDSHCB-KYNGSXCRSA-N 2 2 327.472 3.239 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000655850313 461498888 /nfs/dbraw/zinc/49/88/88/461498888.db2.gz UORZLGVFLDSHCB-KYNGSXCRSA-N 2 2 327.472 3.239 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105100 461503364 /nfs/dbraw/zinc/50/33/64/461503364.db2.gz GFCYHQIKXVYCQD-AWEZNQCLSA-N 2 2 326.444 3.091 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000655855390 461504231 /nfs/dbraw/zinc/50/42/31/461504231.db2.gz GJKGYDREQXEXOC-IAGOWNOFSA-N 2 2 348.487 3.209 20 0 EGADLP CCOc1c(OC)cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000655855390 461504240 /nfs/dbraw/zinc/50/42/40/461504240.db2.gz GJKGYDREQXEXOC-IAGOWNOFSA-N 2 2 348.487 3.209 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000631056244 461508789 /nfs/dbraw/zinc/50/87/89/461508789.db2.gz LSZRONVXOXEYHJ-CYBMUJFWSA-N 2 2 326.868 3.177 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000631056244 461508797 /nfs/dbraw/zinc/50/87/97/461508797.db2.gz LSZRONVXOXEYHJ-CYBMUJFWSA-N 2 2 326.868 3.177 20 0 EGADLP Clc1cccc(SCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000659955006 461513802 /nfs/dbraw/zinc/51/38/02/461513802.db2.gz GQBNCTNYYQFDLB-OAHLLOKOSA-N 2 2 340.920 3.086 20 0 EGADLP Clc1cccc(SCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000659955006 461513808 /nfs/dbraw/zinc/51/38/08/461513808.db2.gz GQBNCTNYYQFDLB-OAHLLOKOSA-N 2 2 340.920 3.086 20 0 EGADLP CC[N@@H+](Cc1cc(OC)ns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659969356 461520875 /nfs/dbraw/zinc/52/08/75/461520875.db2.gz AXLSZJISFWBSJW-QGZVFWFLSA-N 2 2 345.512 3.496 20 0 EGADLP CC[N@H+](Cc1cc(OC)ns1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659969356 461520882 /nfs/dbraw/zinc/52/08/82/461520882.db2.gz AXLSZJISFWBSJW-QGZVFWFLSA-N 2 2 345.512 3.496 20 0 EGADLP CC[NH+](Cc1cc(OC)ns1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659969356 461520892 /nfs/dbraw/zinc/52/08/92/461520892.db2.gz AXLSZJISFWBSJW-QGZVFWFLSA-N 2 2 345.512 3.496 20 0 EGADLP CC[NH+](Cc1cc(OC)ns1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659969356 461520901 /nfs/dbraw/zinc/52/09/01/461520901.db2.gz AXLSZJISFWBSJW-QGZVFWFLSA-N 2 2 345.512 3.496 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)cc1Cl ZINC000638667656 461523732 /nfs/dbraw/zinc/52/37/32/461523732.db2.gz YOAQZJMBFAIGPS-LBPRGKRZSA-N 2 2 328.859 3.365 20 0 EGADLP CCOCCCn1c2ccccc2[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000663255095 461529830 /nfs/dbraw/zinc/52/98/30/461529830.db2.gz ALOAMGGOJFGMGW-UHFFFAOYSA-N 2 2 339.443 3.218 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000631080409 461530376 /nfs/dbraw/zinc/53/03/76/461530376.db2.gz PTCBTSZLWXPRLL-PWSUYJOCSA-N 2 2 345.256 3.169 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1Br ZINC000631080409 461530385 /nfs/dbraw/zinc/53/03/85/461530385.db2.gz PTCBTSZLWXPRLL-PWSUYJOCSA-N 2 2 345.256 3.169 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000631113642 461562163 /nfs/dbraw/zinc/56/21/63/461562163.db2.gz IXLXECSWVSYVCW-YWZLYKJASA-N 2 2 325.456 3.426 20 0 EGADLP c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC000643044954 461596969 /nfs/dbraw/zinc/59/69/69/461596969.db2.gz ZYXDDYXIHBKLDZ-LSDHHAIUSA-N 2 2 335.455 3.327 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000660128379 461599533 /nfs/dbraw/zinc/59/95/33/461599533.db2.gz LUMOLQHKOTXIDN-GFCCVEGCSA-N 2 2 325.334 3.150 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000660128379 461599542 /nfs/dbraw/zinc/59/95/42/461599542.db2.gz LUMOLQHKOTXIDN-GFCCVEGCSA-N 2 2 325.334 3.150 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638825744 461602411 /nfs/dbraw/zinc/60/24/11/461602411.db2.gz ARKZFNZIVARSDZ-HLLBOEOZSA-N 2 2 342.405 3.257 20 0 EGADLP OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638825744 461602417 /nfs/dbraw/zinc/60/24/17/461602417.db2.gz ARKZFNZIVARSDZ-HLLBOEOZSA-N 2 2 342.405 3.257 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000647305309 461626124 /nfs/dbraw/zinc/62/61/24/461626124.db2.gz FIJGUENHQAHRAQ-AZUAARDMSA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@@H](CC(C)C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000647305309 461626130 /nfs/dbraw/zinc/62/61/30/461626130.db2.gz FIJGUENHQAHRAQ-AZUAARDMSA-N 2 2 334.504 3.219 20 0 EGADLP [NH3+]C[C@H]1CC[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000638967197 461660678 /nfs/dbraw/zinc/66/06/78/461660678.db2.gz JYJSHYBTBUQMOS-KOMQPUFPSA-N 2 2 325.412 3.121 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000656251223 461673446 /nfs/dbraw/zinc/67/34/46/461673446.db2.gz HHTVAYBUOOUMKN-UHFFFAOYSA-N 2 2 330.451 3.282 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000656262192 461686022 /nfs/dbraw/zinc/68/60/22/461686022.db2.gz QBQFTVKXUZUGBO-OAHLLOKOSA-N 2 2 339.418 3.043 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000656262192 461686032 /nfs/dbraw/zinc/68/60/32/461686032.db2.gz QBQFTVKXUZUGBO-OAHLLOKOSA-N 2 2 339.418 3.043 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)c3cnc(C)nc3C)C1)CCCC2 ZINC000639076827 461709459 /nfs/dbraw/zinc/70/94/59/461709459.db2.gz RHSVBOCQAJTBPM-WMLDXEAASA-N 2 2 339.487 3.485 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@H]1[NH3+] ZINC000647498440 461737090 /nfs/dbraw/zinc/73/70/90/461737090.db2.gz HDNHSRXOCMYXRQ-DGCLKSJQSA-N 2 2 340.393 3.151 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC[C@H]1[NH3+] ZINC000647498440 461737092 /nfs/dbraw/zinc/73/70/92/461737092.db2.gz HDNHSRXOCMYXRQ-DGCLKSJQSA-N 2 2 340.393 3.151 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cc(Br)c(OC)s2)CC[C@H]1[NH3+] ZINC000647499097 461739842 /nfs/dbraw/zinc/73/98/42/461739842.db2.gz ZKFLKVBAHKANPJ-BXKDBHETSA-N 2 2 333.295 3.078 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)CC[C@H]1[NH3+] ZINC000647499097 461739846 /nfs/dbraw/zinc/73/98/46/461739846.db2.gz ZKFLKVBAHKANPJ-BXKDBHETSA-N 2 2 333.295 3.078 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480208 461740037 /nfs/dbraw/zinc/74/00/37/461740037.db2.gz FTOPEMDQMNLFQY-OUJGAGHGSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480208 461740043 /nfs/dbraw/zinc/74/00/43/461740043.db2.gz FTOPEMDQMNLFQY-OUJGAGHGSA-N 3 2 327.516 3.017 20 0 EGADLP Brc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501730 461747207 /nfs/dbraw/zinc/74/72/07/461747207.db2.gz OVMJYTWQMIRMIE-SWLSCSKDSA-N 2 2 339.277 3.395 20 0 EGADLP CC1([NH3+])CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000647530837 461750819 /nfs/dbraw/zinc/75/08/19/461750819.db2.gz JOYOSTYNPCVTBP-UHFFFAOYSA-N 2 2 349.219 3.364 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000643537412 461757261 /nfs/dbraw/zinc/75/72/61/461757261.db2.gz HNJXZPXFCBXQOT-BHDSKKPTSA-N 2 2 347.659 3.379 20 0 EGADLP COc1cccc(C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc2)c1 ZINC000643537394 461757559 /nfs/dbraw/zinc/75/75/59/461757559.db2.gz GTDHBXRNVKABMF-BJLQDIEVSA-N 2 2 328.431 3.269 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)cc1F ZINC000643548319 461761043 /nfs/dbraw/zinc/76/10/43/461761043.db2.gz NOXBVYXYHVGBKT-JQWIXIFHSA-N 2 2 342.256 3.309 20 0 EGADLP COc1cc(Cl)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000639177525 461783211 /nfs/dbraw/zinc/78/32/11/461783211.db2.gz DZVPFOGGPVBWGL-WFASDCNBSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000639177525 461783216 /nfs/dbraw/zinc/78/32/16/461783216.db2.gz DZVPFOGGPVBWGL-WFASDCNBSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000639177525 461783223 /nfs/dbraw/zinc/78/32/23/461783223.db2.gz DZVPFOGGPVBWGL-WFASDCNBSA-N 2 2 326.868 3.129 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000639177525 461783228 /nfs/dbraw/zinc/78/32/28/461783228.db2.gz DZVPFOGGPVBWGL-WFASDCNBSA-N 2 2 326.868 3.129 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)C[C@H]3CCCC(=O)N3)cc2)c1C ZINC000639199512 461797516 /nfs/dbraw/zinc/79/75/16/461797516.db2.gz YDAULQALNGPTDL-SUMWQHHRSA-N 2 2 326.444 3.348 20 0 EGADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000647848531 461857681 /nfs/dbraw/zinc/85/76/81/461857681.db2.gz SWDGFEJHIPWFBG-UHFFFAOYSA-N 2 2 347.846 3.351 20 0 EGADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000647848531 461857690 /nfs/dbraw/zinc/85/76/90/461857690.db2.gz SWDGFEJHIPWFBG-UHFFFAOYSA-N 2 2 347.846 3.351 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CCC[NH3+] ZINC000647849186 461858291 /nfs/dbraw/zinc/85/82/91/461858291.db2.gz KJHCBUNJUJTFCG-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCC[NH3+] ZINC000647849186 461858294 /nfs/dbraw/zinc/85/82/94/461858294.db2.gz KJHCBUNJUJTFCG-HNNXBMFYSA-N 2 2 327.428 3.087 20 0 EGADLP COc1ccc(Oc2ccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)cc2)cc1 ZINC000666946935 461883136 /nfs/dbraw/zinc/88/31/36/461883136.db2.gz UIFVQHKOTLAMEN-HOTGVXAUSA-N 2 2 330.403 3.277 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000647926519 461890564 /nfs/dbraw/zinc/89/05/64/461890564.db2.gz FCIIRZXQWQSDMI-UHFFFAOYSA-N 2 2 335.536 3.294 20 0 EGADLP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000639372302 461891624 /nfs/dbraw/zinc/89/16/24/461891624.db2.gz XROYYCAGIIRLRC-VHDGCEQUSA-N 2 2 329.271 3.071 20 0 EGADLP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000639372302 461891628 /nfs/dbraw/zinc/89/16/28/461891628.db2.gz XROYYCAGIIRLRC-VHDGCEQUSA-N 2 2 329.271 3.071 20 0 EGADLP O=C(CC[N@@H+]1CCn2c[nH+]cc2C1)Nc1cc(Cl)ccc1Cl ZINC000647939726 461896037 /nfs/dbraw/zinc/89/60/37/461896037.db2.gz YVCNZRXRSHDVNC-UHFFFAOYSA-N 2 2 339.226 3.034 20 0 EGADLP O=C(CC[N@H+]1CCn2c[nH+]cc2C1)Nc1cc(Cl)ccc1Cl ZINC000647939726 461896042 /nfs/dbraw/zinc/89/60/42/461896042.db2.gz YVCNZRXRSHDVNC-UHFFFAOYSA-N 2 2 339.226 3.034 20 0 EGADLP Brc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656785294 461896511 /nfs/dbraw/zinc/89/65/11/461896511.db2.gz GOCJMWIXRAZFLE-GFCCVEGCSA-N 2 2 344.322 3.117 20 0 EGADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995200 461903561 /nfs/dbraw/zinc/90/35/61/461903561.db2.gz GBBJETKJWYCMDI-FQEVSTJZSA-N 3 2 345.506 3.097 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656587 461908755 /nfs/dbraw/zinc/90/87/55/461908755.db2.gz MXQHCOFMBPOCAU-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660656587 461908759 /nfs/dbraw/zinc/90/87/59/461908759.db2.gz MXQHCOFMBPOCAU-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656587 461908764 /nfs/dbraw/zinc/90/87/64/461908764.db2.gz MXQHCOFMBPOCAU-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656587 461908769 /nfs/dbraw/zinc/90/87/69/461908769.db2.gz MXQHCOFMBPOCAU-RDTXWAMCSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)C1 ZINC000650717854 461909628 /nfs/dbraw/zinc/90/96/28/461909628.db2.gz OOZYLVYCHUVKNZ-HNAYVOBHSA-N 3 2 333.495 3.417 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663396 461912773 /nfs/dbraw/zinc/91/27/73/461912773.db2.gz NSZGXNAICCDDGZ-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663396 461912778 /nfs/dbraw/zinc/91/27/78/461912778.db2.gz NSZGXNAICCDDGZ-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663396 461912783 /nfs/dbraw/zinc/91/27/83/461912783.db2.gz NSZGXNAICCDDGZ-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(F)cc1Cl)C2 ZINC000660663396 461912789 /nfs/dbraw/zinc/91/27/89/461912789.db2.gz NSZGXNAICCDDGZ-KRWDZBQOSA-N 2 2 326.843 3.276 20 0 EGADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)nnn1-c1ccccc1 ZINC000650753325 461935306 /nfs/dbraw/zinc/93/53/06/461935306.db2.gz LGOBWYZIXJOQMV-CYBMUJFWSA-N 2 2 339.418 3.024 20 0 EGADLP CC(C)Cn1nccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000648008497 461936567 /nfs/dbraw/zinc/93/65/67/461936567.db2.gz LCHADIHSQAQNBF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1nccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000648008497 461936573 /nfs/dbraw/zinc/93/65/73/461936573.db2.gz LCHADIHSQAQNBF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1nccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648008497 461936582 /nfs/dbraw/zinc/93/65/82/461936582.db2.gz LCHADIHSQAQNBF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP CC(C)Cn1nccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648008497 461936588 /nfs/dbraw/zinc/93/65/88/461936588.db2.gz LCHADIHSQAQNBF-HXUWFJFHSA-N 2 2 340.515 3.493 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000648029634 461949919 /nfs/dbraw/zinc/94/99/19/461949919.db2.gz OVHBZFFPCNEXHJ-QGZVFWFLSA-N 2 2 338.411 3.037 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)o1 ZINC000648029634 461949924 /nfs/dbraw/zinc/94/99/24/461949924.db2.gz OVHBZFFPCNEXHJ-QGZVFWFLSA-N 2 2 338.411 3.037 20 0 EGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000644537206 461975636 /nfs/dbraw/zinc/97/56/36/461975636.db2.gz SXNROWBBROTHOY-AHRSYUTCSA-N 2 2 332.463 3.367 20 0 EGADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000644537206 461975643 /nfs/dbraw/zinc/97/56/43/461975643.db2.gz SXNROWBBROTHOY-AHRSYUTCSA-N 2 2 332.463 3.367 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3C)co2)c1 ZINC000639544508 461981689 /nfs/dbraw/zinc/98/16/89/461981689.db2.gz YWSKUUSBCDNKLW-UHFFFAOYSA-N 2 2 340.427 3.377 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000644569459 461990291 /nfs/dbraw/zinc/99/02/91/461990291.db2.gz QVOYIRXSBLWZQM-HOTGVXAUSA-N 2 2 344.421 3.073 20 0 EGADLP NC(=O)c1cccc(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000660851805 461994873 /nfs/dbraw/zinc/99/48/73/461994873.db2.gz ANCFJYIRVAFTGR-UHFFFAOYSA-N 2 2 348.450 3.117 20 0 EGADLP c1ccc2[nH+]c(CC3CC[NH+](CCO[C@H]4CCCCO4)CC3)[nH]c2c1 ZINC000660857090 461996851 /nfs/dbraw/zinc/99/68/51/461996851.db2.gz FMFNOZWNGJDSIW-FQEVSTJZSA-N 2 2 343.471 3.361 20 0 EGADLP Cc1[nH]c(CNC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)[nH+]c1C ZINC000657296949 462024913 /nfs/dbraw/zinc/02/49/13/462024913.db2.gz FVYWVMQBBGLCDR-IBGZPJMESA-N 2 2 326.488 3.199 20 0 EGADLP Cc1[nH]c(CNC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)[nH+]c1C ZINC000657296949 462024919 /nfs/dbraw/zinc/02/49/19/462024919.db2.gz FVYWVMQBBGLCDR-IBGZPJMESA-N 2 2 326.488 3.199 20 0 EGADLP Clc1ccc(N2CC[C@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657333271 462052425 /nfs/dbraw/zinc/05/24/25/462052425.db2.gz ZSHGKZAHLKDJCU-CQSZACIVSA-N 2 2 330.863 3.099 20 0 EGADLP Brc1cccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000657371414 462077427 /nfs/dbraw/zinc/07/74/27/462077427.db2.gz KKSCRYYRDLMXKP-UHFFFAOYSA-N 2 2 332.245 3.371 20 0 EGADLP C[C@@H](Cc1ccccc1Br)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657396348 462095200 /nfs/dbraw/zinc/09/52/00/462095200.db2.gz RDRMPTKKILWQMC-LBPRGKRZSA-N 2 2 334.261 3.313 20 0 EGADLP Cc1c[nH]c(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)[nH+]1 ZINC000657407563 462103570 /nfs/dbraw/zinc/10/35/70/462103570.db2.gz WWEGHMSQCPIWDA-UHFFFAOYSA-N 2 2 341.459 3.063 20 0 EGADLP Cc1ccc(CNc2[nH+]c3ccc(F)cc3n2C)c(N2CCCC2)[nH+]1 ZINC000644864248 462109812 /nfs/dbraw/zinc/10/98/12/462109812.db2.gz RXJDPKRVBFGFDI-UHFFFAOYSA-N 2 2 339.418 3.050 20 0 EGADLP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893513 462121574 /nfs/dbraw/zinc/12/15/74/462121574.db2.gz QDXJETUKMDRIOX-MJGOQNOKSA-N 2 2 345.531 3.182 20 0 EGADLP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000644893513 462121579 /nfs/dbraw/zinc/12/15/79/462121579.db2.gz QDXJETUKMDRIOX-MJGOQNOKSA-N 2 2 345.531 3.182 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1 ZINC000648462591 462131053 /nfs/dbraw/zinc/13/10/53/462131053.db2.gz PHQVWPGPOKBSLN-ZWKOTPCHSA-N 2 2 325.456 3.395 20 0 EGADLP Clc1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1Cl ZINC000657478120 462148174 /nfs/dbraw/zinc/14/81/74/462148174.db2.gz FLDGZYPODDEUGM-UHFFFAOYSA-N 2 2 326.227 3.305 20 0 EGADLP Cc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000664680070 462148280 /nfs/dbraw/zinc/14/82/80/462148280.db2.gz MYMQPSODMPMKNY-QGZVFWFLSA-N 2 2 337.471 3.381 20 0 EGADLP Cc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000664680070 462148283 /nfs/dbraw/zinc/14/82/83/462148283.db2.gz MYMQPSODMPMKNY-QGZVFWFLSA-N 2 2 337.471 3.381 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000654312124 462156197 /nfs/dbraw/zinc/15/61/97/462156197.db2.gz NBOZZCYACNXWFG-BZSNNMDCSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000654312124 462156201 /nfs/dbraw/zinc/15/62/01/462156201.db2.gz NBOZZCYACNXWFG-BZSNNMDCSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H]1C[C@@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000667617894 462176748 /nfs/dbraw/zinc/17/67/48/462176748.db2.gz DOIQATAXPJHVOO-MJGOQNOKSA-N 2 2 338.499 3.314 20 0 EGADLP C[C@@H]1C[C@@H](N(C)Cc2c[nH+]c3n2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000667617894 462176751 /nfs/dbraw/zinc/17/67/51/462176751.db2.gz DOIQATAXPJHVOO-MJGOQNOKSA-N 2 2 338.499 3.314 20 0 EGADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000657610769 462202211 /nfs/dbraw/zinc/20/22/11/462202211.db2.gz DMEFGOVIPCDNIT-HXUWFJFHSA-N 2 2 337.423 3.358 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000645154722 462205491 /nfs/dbraw/zinc/20/54/91/462205491.db2.gz NTRCAWNJSBOBJV-HZPDHXFCSA-N 2 2 349.316 3.380 20 0 EGADLP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000645154722 462205487 /nfs/dbraw/zinc/20/54/87/462205487.db2.gz NTRCAWNJSBOBJV-HZPDHXFCSA-N 2 2 349.316 3.380 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000645156232 462207673 /nfs/dbraw/zinc/20/76/73/462207673.db2.gz DLOOECFTTKCOTA-YWZLYKJASA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000645156232 462207679 /nfs/dbraw/zinc/20/76/79/462207679.db2.gz DLOOECFTTKCOTA-YWZLYKJASA-N 2 2 343.446 3.230 20 0 EGADLP CC(C)C1CCC([NH+]2CCN(Cc3c[nH+]c4n3CCC4)CC2)CC1 ZINC000667682400 462211242 /nfs/dbraw/zinc/21/12/42/462211242.db2.gz KBCCELJCHILSOB-UHFFFAOYSA-N 2 2 330.520 3.162 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)on2)cc1 ZINC000657635556 462213164 /nfs/dbraw/zinc/21/31/64/462213164.db2.gz UOSATUHVLLPYSM-HZPDHXFCSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)on2)cc1 ZINC000657635556 462213169 /nfs/dbraw/zinc/21/31/69/462213169.db2.gz UOSATUHVLLPYSM-HZPDHXFCSA-N 2 2 327.428 3.067 20 0 EGADLP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657743067 462249051 /nfs/dbraw/zinc/24/90/51/462249051.db2.gz YIABEPRPYDDGNV-LJQANCHMSA-N 2 2 335.923 3.378 20 0 EGADLP CCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000657743067 462249055 /nfs/dbraw/zinc/24/90/55/462249055.db2.gz YIABEPRPYDDGNV-LJQANCHMSA-N 2 2 335.923 3.378 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cncc(Br)c1 ZINC000657835424 462289083 /nfs/dbraw/zinc/28/90/83/462289083.db2.gz XHEGEHPZMOHKDK-GFCCVEGCSA-N 2 2 345.244 3.385 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000651650208 462289346 /nfs/dbraw/zinc/28/93/46/462289346.db2.gz GZYLDALVOKKRNL-CZUORRHYSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000651650208 462289353 /nfs/dbraw/zinc/28/93/53/462289353.db2.gz GZYLDALVOKKRNL-CZUORRHYSA-N 2 2 333.407 3.123 20 0 EGADLP COCCC[N@H+](C)CCOc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC000665144734 462326889 /nfs/dbraw/zinc/32/68/89/462326889.db2.gz LUKQIZJZLWRPHI-UHFFFAOYSA-N 2 2 339.439 3.348 20 0 EGADLP COCCC[N@@H+](C)CCOc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC000665144734 462326894 /nfs/dbraw/zinc/32/68/94/462326894.db2.gz LUKQIZJZLWRPHI-UHFFFAOYSA-N 2 2 339.439 3.348 20 0 EGADLP CC[C@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000645501820 462351051 /nfs/dbraw/zinc/35/10/51/462351051.db2.gz OUVIILUPGWHESI-RTBURBONSA-N 2 2 344.524 3.078 20 0 EGADLP CC[C@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000645501820 462351056 /nfs/dbraw/zinc/35/10/56/462351056.db2.gz OUVIILUPGWHESI-RTBURBONSA-N 2 2 344.524 3.078 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1O ZINC000665254324 462370509 /nfs/dbraw/zinc/37/05/09/462370509.db2.gz NPVMUGJWKFUQEQ-FSPWUOQZSA-N 2 2 344.430 3.336 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000665294409 462388896 /nfs/dbraw/zinc/38/88/96/462388896.db2.gz OEHDJVIGTFYYOH-HOTGVXAUSA-N 2 2 338.455 3.172 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000665294410 462388999 /nfs/dbraw/zinc/38/89/99/462388999.db2.gz OEHDJVIGTFYYOH-HZPDHXFCSA-N 2 2 338.455 3.172 20 0 EGADLP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000661797015 462415196 /nfs/dbraw/zinc/41/51/96/462415196.db2.gz CPRYHUAWWSCGLE-KDOFPFPSSA-N 2 2 333.863 3.468 20 0 EGADLP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1CCCc1c[nH+]cn1C ZINC000661797015 462415203 /nfs/dbraw/zinc/41/52/03/462415203.db2.gz CPRYHUAWWSCGLE-KDOFPFPSSA-N 2 2 333.863 3.468 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151543 462453128 /nfs/dbraw/zinc/45/31/28/462453128.db2.gz VSSLVLFSNFRLGZ-SJORKVTESA-N 2 2 348.487 3.237 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652151543 462453135 /nfs/dbraw/zinc/45/31/35/462453135.db2.gz VSSLVLFSNFRLGZ-SJORKVTESA-N 2 2 348.487 3.237 20 0 EGADLP Cc1ccc(C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C(C)C)cc1 ZINC000658294616 462460389 /nfs/dbraw/zinc/46/03/89/462460389.db2.gz OGAZSOSIPBDNKL-SFTDATJTSA-N 2 2 330.516 3.405 20 0 EGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295149 462461250 /nfs/dbraw/zinc/46/12/50/462461250.db2.gz KUJMRJFQYAXBQG-CJNGLKHVSA-N 2 2 338.879 3.253 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658295057 462461282 /nfs/dbraw/zinc/46/12/82/462461282.db2.gz QYHVHOYLNFOWIS-QUCCMNQESA-N 2 2 344.499 3.360 20 0 EGADLP Clc1ccc(C2CC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000658296293 462462603 /nfs/dbraw/zinc/46/26/03/462462603.db2.gz YNXNIOPYDIQTOA-PPSBMQLTSA-N 2 2 334.891 3.429 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296264 462462661 /nfs/dbraw/zinc/46/26/61/462462661.db2.gz RJIZPDZINWIUDA-DYVFJYSZSA-N 2 2 340.870 3.253 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccncc2s1 ZINC000658296191 462462876 /nfs/dbraw/zinc/46/28/76/462462876.db2.gz QYQLOBJYWWAARA-CZUORRHYSA-N 2 2 331.485 3.200 20 0 EGADLP COc1ccccc1-c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)on1 ZINC000658355665 462488696 /nfs/dbraw/zinc/48/86/96/462488696.db2.gz DSZDYLCQWOEEHY-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(Cl)c1Cl)CCO2 ZINC000646106163 462518510 /nfs/dbraw/zinc/51/85/10/462518510.db2.gz QKCSADGUBAKZIP-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(Cl)c1Cl)CCO2 ZINC000646106163 462518511 /nfs/dbraw/zinc/51/85/11/462518511.db2.gz QKCSADGUBAKZIP-UHFFFAOYSA-N 2 2 329.271 3.290 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000163750330 528575475 /nfs/dbraw/zinc/57/54/75/528575475.db2.gz JNVYRNQMPFLYFH-QGZVFWFLSA-N 2 2 342.487 3.147 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000191471854 528863264 /nfs/dbraw/zinc/86/32/64/528863264.db2.gz UDANSNZVZJCRCW-UHFFFAOYSA-N 2 2 347.434 3.363 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000191471854 528863271 /nfs/dbraw/zinc/86/32/71/528863271.db2.gz UDANSNZVZJCRCW-UHFFFAOYSA-N 2 2 347.434 3.363 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1F ZINC000191477677 528866995 /nfs/dbraw/zinc/86/69/95/528866995.db2.gz KNUFUFFANPBVJL-SFHVURJKSA-N 2 2 347.434 3.211 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1F ZINC000191477677 528867000 /nfs/dbraw/zinc/86/70/00/528867000.db2.gz KNUFUFFANPBVJL-SFHVURJKSA-N 2 2 347.434 3.211 20 0 EGADLP CCn1nccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353531351 535870746 /nfs/dbraw/zinc/87/07/46/535870746.db2.gz OLSYOROQLUHOFM-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1nccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000353531351 535870750 /nfs/dbraw/zinc/87/07/50/535870750.db2.gz OLSYOROQLUHOFM-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1nccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353531351 535870754 /nfs/dbraw/zinc/87/07/54/535870754.db2.gz OLSYOROQLUHOFM-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1nccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353531351 535870760 /nfs/dbraw/zinc/87/07/60/535870760.db2.gz OLSYOROQLUHOFM-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000337870731 536805432 /nfs/dbraw/zinc/80/54/32/536805432.db2.gz NOWNRTKDEKHDCK-LBPRGKRZSA-N 2 2 343.349 3.011 20 0 EGADLP Cn1cc[nH+]c1CN1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000093131933 546681141 /nfs/dbraw/zinc/68/11/41/546681141.db2.gz KQTGQNBLZHGNFU-UHFFFAOYSA-N 2 2 346.478 3.405 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594938 546957506 /nfs/dbraw/zinc/95/75/06/546957506.db2.gz AXVJNWZAEJSQGT-RXVVDRJESA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161594938 546957511 /nfs/dbraw/zinc/95/75/11/546957511.db2.gz AXVJNWZAEJSQGT-RXVVDRJESA-N 3 2 329.532 3.361 20 0 EGADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000279959442 547369120 /nfs/dbraw/zinc/36/91/20/547369120.db2.gz CEWDMTLSXXBDCV-KRWDZBQOSA-N 2 2 337.423 3.171 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cscc2Br)CCCO1 ZINC000285842776 547390748 /nfs/dbraw/zinc/39/07/48/547390748.db2.gz HQDBCHAPPRTXQR-GFCCVEGCSA-N 2 2 347.322 3.101 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cscc2Br)CCCO1 ZINC000285842776 547390750 /nfs/dbraw/zinc/39/07/50/547390750.db2.gz HQDBCHAPPRTXQR-GFCCVEGCSA-N 2 2 347.322 3.101 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000333169554 547530196 /nfs/dbraw/zinc/53/01/96/547530196.db2.gz PMTUQZTVOFPSBC-YQQAZPJKSA-N 2 2 345.491 3.031 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000671242669 548266056 /nfs/dbraw/zinc/26/60/56/548266056.db2.gz DBBNQJMQUDMGKO-DNVCBOLYSA-N 2 2 343.471 3.233 20 0 EGADLP Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000671242669 548266059 /nfs/dbraw/zinc/26/60/59/548266059.db2.gz DBBNQJMQUDMGKO-DNVCBOLYSA-N 2 2 343.471 3.233 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000671742485 548349930 /nfs/dbraw/zinc/34/99/30/548349930.db2.gz XYSVYUBAGOVWSE-ICSRJNTNSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000671742485 548349934 /nfs/dbraw/zinc/34/99/34/548349934.db2.gz XYSVYUBAGOVWSE-ICSRJNTNSA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000671742486 548349949 /nfs/dbraw/zinc/34/99/49/548349949.db2.gz XYSVYUBAGOVWSE-QUCCMNQESA-N 2 2 325.456 3.058 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000671742486 548349953 /nfs/dbraw/zinc/34/99/53/548349953.db2.gz XYSVYUBAGOVWSE-QUCCMNQESA-N 2 2 325.456 3.058 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000673600435 548580451 /nfs/dbraw/zinc/58/04/51/548580451.db2.gz WKQCAQBHQFCRPI-BDJLRTHQSA-N 2 2 343.284 3.449 20 0 EGADLP COc1ccc(C([NH2+]CCn2cc[nH+]c2)c2ccc(OC)cc2)cc1 ZINC000674275394 548717077 /nfs/dbraw/zinc/71/70/77/548717077.db2.gz BKRXWGKBXMIGLH-UHFFFAOYSA-N 2 2 337.423 3.280 20 0 EGADLP Clc1cccc2c1OC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000675748329 548973245 /nfs/dbraw/zinc/97/32/45/548973245.db2.gz XOWJWCUBPVMNGV-INIZCTEOSA-N 2 2 329.831 3.427 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2OC(C)C)[C@H](C)C1 ZINC000675750728 548974318 /nfs/dbraw/zinc/97/43/18/548974318.db2.gz QHEWCARJGKAKPB-MJGOQNOKSA-N 2 2 349.519 3.095 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2OC(C)C)[C@H](C)C1 ZINC000675750728 548974321 /nfs/dbraw/zinc/97/43/21/548974321.db2.gz QHEWCARJGKAKPB-MJGOQNOKSA-N 2 2 349.519 3.095 20 0 EGADLP Clc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000676476954 549094420 /nfs/dbraw/zinc/09/44/20/549094420.db2.gz CUDYIPHLKMXMJB-CQSZACIVSA-N 2 2 333.819 3.145 20 0 EGADLP Clc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000676476954 549094422 /nfs/dbraw/zinc/09/44/22/549094422.db2.gz CUDYIPHLKMXMJB-CQSZACIVSA-N 2 2 333.819 3.145 20 0 EGADLP Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000678080643 549392698 /nfs/dbraw/zinc/39/26/98/549392698.db2.gz LASQGEMWMGGUTG-RDJZCZTQSA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000678080643 549392703 /nfs/dbraw/zinc/39/27/03/549392703.db2.gz LASQGEMWMGGUTG-RDJZCZTQSA-N 2 2 337.427 3.325 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1 ZINC000678081846 549393094 /nfs/dbraw/zinc/39/30/94/549393094.db2.gz HSFJIDVOTAGHDT-IEBWSBKVSA-N 2 2 343.515 3.087 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1 ZINC000678081846 549393096 /nfs/dbraw/zinc/39/30/96/549393096.db2.gz HSFJIDVOTAGHDT-IEBWSBKVSA-N 2 2 343.515 3.087 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678221004 549428290 /nfs/dbraw/zinc/42/82/90/549428290.db2.gz XDGDADKYVCGJFC-HUUCEWRRSA-N 2 2 341.952 3.392 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235106 549436285 /nfs/dbraw/zinc/43/62/85/549436285.db2.gz DBJKQXODYBRVKL-QGZVFWFLSA-N 2 2 337.427 3.119 20 0 EGADLP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235106 549436288 /nfs/dbraw/zinc/43/62/88/549436288.db2.gz DBJKQXODYBRVKL-QGZVFWFLSA-N 2 2 337.427 3.119 20 0 EGADLP Cc1csc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC000678927922 549597045 /nfs/dbraw/zinc/59/70/45/549597045.db2.gz VILRGMGNCGYFKO-MRXNPFEDSA-N 2 2 337.533 3.385 20 0 EGADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000684112110 550292574 /nfs/dbraw/zinc/29/25/74/550292574.db2.gz JETLGDMWWUITME-ZCNNSNEGSA-N 2 2 340.515 3.209 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000684426829 550329180 /nfs/dbraw/zinc/32/91/80/550329180.db2.gz UHUJDGFUUOWDFJ-OAHLLOKOSA-N 2 2 346.393 3.083 20 0 EGADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000684822750 550373641 /nfs/dbraw/zinc/37/36/41/550373641.db2.gz TZFIHASVUXNEBA-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000684822750 550373642 /nfs/dbraw/zinc/37/36/42/550373642.db2.gz TZFIHASVUXNEBA-KRWDZBQOSA-N 2 2 339.439 3.430 20 0 EGADLP C[NH+](C)CCN(Cc1c[nH+]c2ccccn12)Cc1ccccc1F ZINC000685453162 550417621 /nfs/dbraw/zinc/41/76/21/550417621.db2.gz KZYQQRGICCAPQF-UHFFFAOYSA-N 2 2 326.419 3.037 20 0 EGADLP C[NH+]1CCN(c2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2Cl)CC1 ZINC000726968544 574624206 /nfs/dbraw/zinc/62/42/06/574624206.db2.gz YDYZSGZEYBHNAJ-UHFFFAOYSA-N 2 2 342.834 3.107 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000729682541 574878730 /nfs/dbraw/zinc/87/87/30/574878730.db2.gz UAPYLODXCOILIM-SFHVURJKSA-N 2 2 325.456 3.071 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)cc(C)c1OCc1ccccn1 ZINC000729682541 574878733 /nfs/dbraw/zinc/87/87/33/574878733.db2.gz UAPYLODXCOILIM-SFHVURJKSA-N 2 2 325.456 3.071 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(CO)o1 ZINC000678997925 576172365 /nfs/dbraw/zinc/17/23/65/576172365.db2.gz KBTJMQSWBNINBP-UHFFFAOYSA-N 2 2 342.443 3.076 20 0 EGADLP CCc1cnc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000742356994 576772256 /nfs/dbraw/zinc/77/22/56/576772256.db2.gz KNQQMWYPYNHPIH-UHFFFAOYSA-N 2 2 342.443 3.270 20 0 EGADLP O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000015581128 1291153330 /nfs/dbraw/zinc/15/33/30/1291153330.db2.gz WGUAGTICJCDBIW-UHFFFAOYSA-N 2 2 346.434 3.289 20 0 EGADLP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)n1cc[nH+]c1 ZINC000061503436 1291974304 /nfs/dbraw/zinc/97/43/04/1291974304.db2.gz YSKBQQLXZWGZQS-KRWDZBQOSA-N 2 2 340.471 3.137 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Br)cn1 ZINC000070396333 1292255579 /nfs/dbraw/zinc/25/55/79/1292255579.db2.gz SRPNCWWBCVHWNU-CQSZACIVSA-N 2 2 337.265 3.245 20 0 EGADLP C[NH+](C)CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000077432574 1292465027 /nfs/dbraw/zinc/46/50/27/1292465027.db2.gz JFAHVCIHHXQJLI-LJQANCHMSA-N 3 2 344.503 3.028 20 0 EGADLP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000828984173 1292526099 /nfs/dbraw/zinc/52/60/99/1292526099.db2.gz WKFHYXQDFSOHHB-SJLPKXTDSA-N 2 2 339.524 3.096 20 0 EGADLP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000828984173 1292526104 /nfs/dbraw/zinc/52/61/04/1292526104.db2.gz WKFHYXQDFSOHHB-SJLPKXTDSA-N 2 2 339.524 3.096 20 0 EGADLP CC(C)(C)CC(=O)N1CCC([NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000089134560 1292758096 /nfs/dbraw/zinc/75/80/96/1292758096.db2.gz VJMCVBVVTKCCRB-UHFFFAOYSA-N 2 2 337.552 3.268 20 0 EGADLP CCc1cccc(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003482 1292784071 /nfs/dbraw/zinc/78/40/71/1292784071.db2.gz QHXGXGCIWCNYRB-SFHVURJKSA-N 2 2 327.472 3.316 20 0 EGADLP CCc1cccc(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003482 1292784077 /nfs/dbraw/zinc/78/40/77/1292784077.db2.gz QHXGXGCIWCNYRB-SFHVURJKSA-N 2 2 327.472 3.316 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000111568792 1293106550 /nfs/dbraw/zinc/10/65/50/1293106550.db2.gz WOAJNXFBNPZJEC-UHFFFAOYSA-N 2 2 329.448 3.026 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000111568792 1293106558 /nfs/dbraw/zinc/10/65/58/1293106558.db2.gz WOAJNXFBNPZJEC-UHFFFAOYSA-N 2 2 329.448 3.026 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000131157165 1293680832 /nfs/dbraw/zinc/68/08/32/1293680832.db2.gz HZYDGCGROXUQDR-OAHLLOKOSA-N 2 2 341.503 3.417 20 0 EGADLP c1nc(C2CCCC2)sc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136173302 1293811199 /nfs/dbraw/zinc/81/11/99/1293811199.db2.gz HSPAEMXOCFZEFZ-HNNXBMFYSA-N 2 2 349.544 3.391 20 0 EGADLP c1ccc2c(c1)OCC[C@@H]2C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000158345178 1294203262 /nfs/dbraw/zinc/20/32/62/1294203262.db2.gz JTVVQIVVTPHBFT-GOSISDBHSA-N 2 2 337.467 3.202 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167070330 1294364511 /nfs/dbraw/zinc/36/45/11/1294364511.db2.gz JDRZSSBTRVFZOF-SJORKVTESA-N 2 2 339.524 3.191 20 0 EGADLP CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167070330 1294364516 /nfs/dbraw/zinc/36/45/16/1294364516.db2.gz JDRZSSBTRVFZOF-SJORKVTESA-N 2 2 339.524 3.191 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000191278722 1295665419 /nfs/dbraw/zinc/66/54/19/1295665419.db2.gz VDZODYIFTBJSCY-GOSISDBHSA-N 2 2 340.471 3.089 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000191278722 1295665434 /nfs/dbraw/zinc/66/54/34/1295665434.db2.gz VDZODYIFTBJSCY-GOSISDBHSA-N 2 2 340.471 3.089 20 0 EGADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000237106698 1296221674 /nfs/dbraw/zinc/22/16/74/1296221674.db2.gz YHEHXMGDXZBVTP-UHFFFAOYSA-N 2 2 348.821 3.142 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000301756982 1296794570 /nfs/dbraw/zinc/79/45/70/1296794570.db2.gz FCJJZOVRECGNDJ-INMHGKMJSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000301756982 1296794580 /nfs/dbraw/zinc/79/45/80/1296794580.db2.gz FCJJZOVRECGNDJ-INMHGKMJSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000309945961 1297081608 /nfs/dbraw/zinc/08/16/08/1297081608.db2.gz KDURUCIOEKUFAH-INIZCTEOSA-N 2 2 339.524 3.098 20 0 EGADLP Cc1nc(NCC[NH+](C(C)C)C(C)C)c(Br)c(C)[nH+]1 ZINC000322864987 1297193614 /nfs/dbraw/zinc/19/36/14/1297193614.db2.gz DJWOAFYVYMBFMU-UHFFFAOYSA-N 2 2 329.286 3.387 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000327114344 1297245029 /nfs/dbraw/zinc/24/50/29/1297245029.db2.gz GHJOCOJMMACSNG-WOJBJXKFSA-N 2 2 346.515 3.387 20 0 EGADLP CC[NH+](CC)[C@H](c1nc([C@H]2C[NH+]3CCC2CC3)no1)c1ccccc1 ZINC000350065591 1297390820 /nfs/dbraw/zinc/39/08/20/1297390820.db2.gz ALKNJSBFEZQRAC-ROUUACIJSA-N 2 2 340.471 3.310 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Cl ZINC000383761380 1297575048 /nfs/dbraw/zinc/57/50/48/1297575048.db2.gz DWDIVDSLTUTSPO-YOEHRIQHSA-N 2 2 346.906 3.382 20 0 EGADLP Cc1nn(C)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Cl ZINC000383761380 1297575053 /nfs/dbraw/zinc/57/50/53/1297575053.db2.gz DWDIVDSLTUTSPO-YOEHRIQHSA-N 2 2 346.906 3.382 20 0 EGADLP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000397511627 1297700988 /nfs/dbraw/zinc/70/09/88/1297700988.db2.gz NAOLNAWFEPFQEQ-INIZCTEOSA-N 2 2 332.488 3.218 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401319615 1297739877 /nfs/dbraw/zinc/73/98/77/1297739877.db2.gz IFJAHHZIGDPHJX-GOSISDBHSA-N 2 2 347.503 3.285 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000401319615 1297739885 /nfs/dbraw/zinc/73/98/85/1297739885.db2.gz IFJAHHZIGDPHJX-GOSISDBHSA-N 2 2 347.503 3.285 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444804518 1297860316 /nfs/dbraw/zinc/86/03/16/1297860316.db2.gz PPAATNVYDOXFKK-NVXWUHKLSA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444804518 1297860324 /nfs/dbraw/zinc/86/03/24/1297860324.db2.gz PPAATNVYDOXFKK-NVXWUHKLSA-N 2 2 340.471 3.189 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881217 1298153403 /nfs/dbraw/zinc/15/34/03/1298153403.db2.gz ZFJIOKWPBFKWEP-OAGGEKHMSA-N 2 2 339.524 3.237 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CN1C(=O)OC(C)(C)C ZINC000693881217 1298153407 /nfs/dbraw/zinc/15/34/07/1298153407.db2.gz ZFJIOKWPBFKWEP-OAGGEKHMSA-N 2 2 339.524 3.237 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000746452420 1298590939 /nfs/dbraw/zinc/59/09/39/1298590939.db2.gz URZCUFQDCBDARA-UHFFFAOYSA-N 2 2 338.427 3.057 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073725 1299145876 /nfs/dbraw/zinc/14/58/76/1299145876.db2.gz RDNIPXUDYRWLNJ-WMLDXEAASA-N 2 2 330.863 3.130 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000877073725 1299145878 /nfs/dbraw/zinc/14/58/78/1299145878.db2.gz RDNIPXUDYRWLNJ-WMLDXEAASA-N 2 2 330.863 3.130 20 0 EGADLP CC1CC[NH+](C2CCC(NC(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC000752452745 1299739596 /nfs/dbraw/zinc/73/95/96/1299739596.db2.gz WRJZVBLSJZOQGC-UHFFFAOYSA-N 2 2 340.471 3.107 20 0 EGADLP CC(C)[C@H](C(=O)OCc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000754500778 1300154399 /nfs/dbraw/zinc/15/43/99/1300154399.db2.gz SFEXFWNRCZGLTA-GOSISDBHSA-N 2 2 327.428 3.036 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755215559 1300301489 /nfs/dbraw/zinc/30/14/89/1300301489.db2.gz WYSODWVUQLDPKJ-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C=C1CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755215559 1300301500 /nfs/dbraw/zinc/30/15/00/1300301500.db2.gz WYSODWVUQLDPKJ-PMACEKPBSA-N 2 2 347.547 3.282 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000879062782 1300347698 /nfs/dbraw/zinc/34/76/98/1300347698.db2.gz WIBKJUBJKTUIDL-INIZCTEOSA-N 2 2 330.463 3.389 20 0 EGADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc(C4CC4)sc3=S)C2)CC1 ZINC000755774619 1300394835 /nfs/dbraw/zinc/39/48/35/1300394835.db2.gz IOPFWZIDWQQOOQ-CQSZACIVSA-N 2 2 338.546 3.173 20 0 EGADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc(C4CC4)sc3=S)C2)CC1 ZINC000755774619 1300394845 /nfs/dbraw/zinc/39/48/45/1300394845.db2.gz IOPFWZIDWQQOOQ-CQSZACIVSA-N 2 2 338.546 3.173 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866596149 1330131259 /nfs/dbraw/zinc/13/12/59/1330131259.db2.gz BOCYNXVGZULSCH-MAZHCROVSA-N 2 2 341.293 3.209 20 0 EGADLP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Br)c1 ZINC000866596149 1330131260 /nfs/dbraw/zinc/13/12/60/1330131260.db2.gz BOCYNXVGZULSCH-MAZHCROVSA-N 2 2 341.293 3.209 20 0 EGADLP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1-n1cc[nH+]c1 ZINC000762619381 1301715075 /nfs/dbraw/zinc/71/50/75/1301715075.db2.gz YRRLVHKSLLXNPO-HYVNUMGLSA-N 2 2 349.500 3.481 20 0 EGADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000766274816 1302420116 /nfs/dbraw/zinc/42/01/16/1302420116.db2.gz WAFQRLQVFLOCOI-HNNXBMFYSA-N 2 2 349.906 3.019 20 0 EGADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000766274816 1302420126 /nfs/dbraw/zinc/42/01/26/1302420126.db2.gz WAFQRLQVFLOCOI-HNNXBMFYSA-N 2 2 349.906 3.019 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275961 1302420587 /nfs/dbraw/zinc/42/05/87/1302420587.db2.gz ZPXZISBQPUJQSC-CABCVRRESA-N 2 2 330.476 3.105 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000766275961 1302420591 /nfs/dbraw/zinc/42/05/91/1302420591.db2.gz ZPXZISBQPUJQSC-CABCVRRESA-N 2 2 330.476 3.105 20 0 EGADLP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc(OC)c1 ZINC000883398012 1302431901 /nfs/dbraw/zinc/43/19/01/1302431901.db2.gz BJBRPEZUQZSSHY-HXUWFJFHSA-N 2 2 337.423 3.431 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C1CCCCC1 ZINC000766369221 1302439118 /nfs/dbraw/zinc/43/91/18/1302439118.db2.gz WHOQZLOQKVTCCN-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C1CCCCC1 ZINC000766369221 1302439121 /nfs/dbraw/zinc/43/91/21/1302439121.db2.gz WHOQZLOQKVTCCN-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CC[NH2+]CCC34CCC4)cc(=O)oc2c1C ZINC000883459155 1302452104 /nfs/dbraw/zinc/45/21/04/1302452104.db2.gz LXFMXAHQEVZWET-UHFFFAOYSA-N 2 2 326.440 3.128 20 0 EGADLP Cc1ccc2c(C[N@H+]3CC[NH2+]CCC34CCC4)cc(=O)oc2c1C ZINC000883459155 1302452111 /nfs/dbraw/zinc/45/21/11/1302452111.db2.gz LXFMXAHQEVZWET-UHFFFAOYSA-N 2 2 326.440 3.128 20 0 EGADLP Cc1[nH]c(C2CC[NH+](Cc3nc4ccccc4c(=O)[nH]3)CC2)[nH+]c1C ZINC000886664588 1303545261 /nfs/dbraw/zinc/54/52/61/1303545261.db2.gz QWAVTIMYMWRPFD-UHFFFAOYSA-N 2 2 337.427 3.055 20 0 EGADLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)[nH+]c1C ZINC000886668625 1303548782 /nfs/dbraw/zinc/54/87/82/1303548782.db2.gz WKMYLNZSIRTRGH-AWEZNQCLSA-N 2 2 344.434 3.372 20 0 EGADLP C[C@H](O)CC(C)(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773016475 1303607814 /nfs/dbraw/zinc/60/78/14/1303607814.db2.gz PIBRBSYGUJZEJL-INIZCTEOSA-N 2 2 333.520 3.108 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000775623281 1303996543 /nfs/dbraw/zinc/99/65/43/1303996543.db2.gz OVPDGUIMWNHVTH-WCXIOVBPSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000775623281 1303996547 /nfs/dbraw/zinc/99/65/47/1303996547.db2.gz OVPDGUIMWNHVTH-WCXIOVBPSA-N 2 2 339.524 3.285 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cn1 ZINC000779018812 1304518821 /nfs/dbraw/zinc/51/88/21/1304518821.db2.gz HKNZSSPQBHRTKN-INIZCTEOSA-N 2 2 325.391 3.351 20 0 EGADLP CCCCC[C@](C)(CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000780690285 1304725555 /nfs/dbraw/zinc/72/55/55/1304725555.db2.gz IZHMNAYEUJQZEJ-FQEVSTJZSA-N 2 2 339.568 3.467 20 0 EGADLP CCCCC[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000780690285 1304725562 /nfs/dbraw/zinc/72/55/62/1304725562.db2.gz IZHMNAYEUJQZEJ-FQEVSTJZSA-N 2 2 339.568 3.467 20 0 EGADLP O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943568 1305026499 /nfs/dbraw/zinc/02/64/99/1305026499.db2.gz VIGNMNHZAVRHMY-RBUKOAKNSA-N 2 2 344.503 3.124 20 0 EGADLP Cc1cc(F)ncc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000893203047 1305760334 /nfs/dbraw/zinc/76/03/34/1305760334.db2.gz RTICIRFBVATZGJ-OAHLLOKOSA-N 2 2 328.435 3.239 20 0 EGADLP CC(C)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)[C@@H](O)c1ccccc1 ZINC000788620756 1305984319 /nfs/dbraw/zinc/98/43/19/1305984319.db2.gz JSNNTDQTZAMKTH-SFTDATJTSA-N 2 2 339.483 3.398 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3nccc4ccccc43)[nH+]c2)C1 ZINC000894360018 1306360002 /nfs/dbraw/zinc/36/00/02/1306360002.db2.gz SFHVMYLWKMAZPR-GOSISDBHSA-N 2 2 347.466 3.382 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000791388291 1308976722 /nfs/dbraw/zinc/97/67/22/1308976722.db2.gz GEWRWFRXCXKNBL-QGZVFWFLSA-N 2 2 341.455 3.488 20 0 EGADLP CC(C)c1ccccc1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895550733 1309396402 /nfs/dbraw/zinc/39/64/02/1309396402.db2.gz KBNYATSSOPLPIH-UHFFFAOYSA-N 2 2 343.515 3.116 20 0 EGADLP CCc1ccc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)cc1Cl ZINC000796134137 1309916738 /nfs/dbraw/zinc/91/67/38/1309916738.db2.gz AARXFAQUHXLJOG-UHFFFAOYSA-N 2 2 332.879 3.230 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)s1 ZINC000796307879 1309962783 /nfs/dbraw/zinc/96/27/83/1309962783.db2.gz NLWWPFOFXSPJDU-IBGZPJMESA-N 2 2 345.512 3.462 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000897842062 1310488802 /nfs/dbraw/zinc/48/88/02/1310488802.db2.gz UGVQKLCQGPKTNI-KDOFPFPSSA-N 2 2 329.444 3.170 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3cccc(OC)c3)no2)[C@H](C)C1 ZINC000897842062 1310488806 /nfs/dbraw/zinc/48/88/06/1310488806.db2.gz UGVQKLCQGPKTNI-KDOFPFPSSA-N 2 2 329.444 3.170 20 0 EGADLP Cn1cc(-c2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)s2)cn1 ZINC000897980973 1310537652 /nfs/dbraw/zinc/53/76/52/1310537652.db2.gz HMOGALLCGFMOMC-UHFFFAOYSA-N 2 2 330.501 3.255 20 0 EGADLP Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000858011891 1328657913 /nfs/dbraw/zinc/65/79/13/1328657913.db2.gz TUWXIUWEADUKSB-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nc1 ZINC000858011891 1328657917 /nfs/dbraw/zinc/65/79/17/1328657917.db2.gz TUWXIUWEADUKSB-IBGZPJMESA-N 2 2 334.423 3.229 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)c2ccccc21 ZINC000802303786 1316997594 /nfs/dbraw/zinc/99/75/94/1316997594.db2.gz RBZIGUWCHIBEOB-LZQZEXGQSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)c2ccccc21 ZINC000802303786 1316997601 /nfs/dbraw/zinc/99/76/01/1316997601.db2.gz RBZIGUWCHIBEOB-LZQZEXGQSA-N 2 2 330.472 3.242 20 0 EGADLP CCc1oc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C(=O)OC ZINC000802642734 1317019957 /nfs/dbraw/zinc/01/99/57/1317019957.db2.gz CZCNZXKSEGIWBN-INIZCTEOSA-N 2 2 333.432 3.030 20 0 EGADLP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000957075494 1317172959 /nfs/dbraw/zinc/17/29/59/1317172959.db2.gz WODXDXWRSVGHPQ-MRXNPFEDSA-N 2 2 340.471 3.065 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000806155676 1317467212 /nfs/dbraw/zinc/46/72/12/1317467212.db2.gz SOUFVGUPAZBIIF-QZTJIDSGSA-N 2 2 329.488 3.438 20 0 EGADLP CCC(CC)C[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000957626390 1317503171 /nfs/dbraw/zinc/50/31/71/1317503171.db2.gz NVQGMTJAOUTJFO-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1OC ZINC000902430594 1317577420 /nfs/dbraw/zinc/57/74/20/1317577420.db2.gz CMAQQRPYFHFMCK-BJIKLQPUSA-N 2 2 340.467 3.410 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(OCc2nccn2C)cc1 ZINC000902485093 1317582819 /nfs/dbraw/zinc/58/28/19/1317582819.db2.gz YWGLYCGNYWKGHU-FUHWJXTLSA-N 2 2 342.487 3.182 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245712 1317681508 /nfs/dbraw/zinc/68/15/08/1317681508.db2.gz OLCVHUFMSWQDAG-XLIONFOSSA-N 2 2 345.531 3.334 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245712 1317681511 /nfs/dbraw/zinc/68/15/11/1317681511.db2.gz OLCVHUFMSWQDAG-XLIONFOSSA-N 2 2 345.531 3.334 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)ccc1OC ZINC000903370945 1317691315 /nfs/dbraw/zinc/69/13/15/1317691315.db2.gz LXAXYOWZLAJYDX-AEFFLSMTSA-N 2 2 336.451 3.128 20 0 EGADLP Clc1ccc(C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000903879456 1317740223 /nfs/dbraw/zinc/74/02/23/1317740223.db2.gz BHRPVRPZRVPLOC-KRWDZBQOSA-N 2 2 345.878 3.021 20 0 EGADLP Clc1ccc(C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000903879456 1317740226 /nfs/dbraw/zinc/74/02/26/1317740226.db2.gz BHRPVRPZRVPLOC-KRWDZBQOSA-N 2 2 345.878 3.021 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000903898065 1317745251 /nfs/dbraw/zinc/74/52/51/1317745251.db2.gz HWFUKLATGARPNN-HOTGVXAUSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000903898065 1317745256 /nfs/dbraw/zinc/74/52/56/1317745256.db2.gz HWFUKLATGARPNN-HOTGVXAUSA-N 2 2 340.439 3.266 20 0 EGADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@H]([NH3+])CCC(C)(C)C)CC2)C1 ZINC000904335254 1317832593 /nfs/dbraw/zinc/83/25/93/1317832593.db2.gz BILBJMNQIYKEPM-SJLPKXTDSA-N 2 2 337.552 3.111 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC001020818064 1317947745 /nfs/dbraw/zinc/94/77/45/1317947745.db2.gz GWMVGZXKWUICJQ-DJIMGWMZSA-N 2 2 348.450 3.103 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001021394590 1318230937 /nfs/dbraw/zinc/23/09/37/1318230937.db2.gz NVHSUZFEYWHGCA-JLYLLQBASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCCC1 ZINC001021394590 1318230951 /nfs/dbraw/zinc/23/09/51/1318230951.db2.gz NVHSUZFEYWHGCA-JLYLLQBASA-N 2 2 344.503 3.034 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2c2c[nH+]cn2CC)C1 ZINC000908251755 1318318765 /nfs/dbraw/zinc/31/87/65/1318318765.db2.gz NBVBDTOCRAJKDC-IRXDYDNUSA-N 2 2 332.492 3.079 20 0 EGADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2c2c[nH+]cn2CC)C1 ZINC000908251755 1318318776 /nfs/dbraw/zinc/31/87/76/1318318776.db2.gz NBVBDTOCRAJKDC-IRXDYDNUSA-N 2 2 332.492 3.079 20 0 EGADLP Cc1nnc([C@H](C)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)s1 ZINC000812842318 1318469284 /nfs/dbraw/zinc/46/92/84/1318469284.db2.gz VSMWZTQIEOQZDZ-ZDUSSCGKSA-N 2 2 345.516 3.232 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000960592785 1318723883 /nfs/dbraw/zinc/72/38/83/1318723883.db2.gz BLCRSKPJBLDDEM-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000960592785 1318723890 /nfs/dbraw/zinc/72/38/90/1318723890.db2.gz BLCRSKPJBLDDEM-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000960673067 1318787896 /nfs/dbraw/zinc/78/78/96/1318787896.db2.gz OPANRZIKPQZRKB-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000960673067 1318787904 /nfs/dbraw/zinc/78/79/04/1318787904.db2.gz OPANRZIKPQZRKB-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000960673067 1318787912 /nfs/dbraw/zinc/78/79/12/1318787912.db2.gz OPANRZIKPQZRKB-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000960673067 1318787916 /nfs/dbraw/zinc/78/79/16/1318787916.db2.gz OPANRZIKPQZRKB-FAFZWHIHSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142960 1318910067 /nfs/dbraw/zinc/91/00/67/1318910067.db2.gz ASCAKFRPFZKEQI-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142960 1318910071 /nfs/dbraw/zinc/91/00/71/1318910071.db2.gz ASCAKFRPFZKEQI-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142960 1318910079 /nfs/dbraw/zinc/91/00/79/1318910079.db2.gz ASCAKFRPFZKEQI-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000815142960 1318910091 /nfs/dbraw/zinc/91/00/91/1318910091.db2.gz ASCAKFRPFZKEQI-IAGOWNOFSA-N 2 2 343.298 3.445 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1)[C@H]1CCC[NH2+]1 ZINC000817902148 1319455545 /nfs/dbraw/zinc/45/55/45/1319455545.db2.gz JGXQPASUYIRVIN-ZLGUVYLKSA-N 2 2 340.467 3.029 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817949341 1319472966 /nfs/dbraw/zinc/47/29/66/1319472966.db2.gz JCPSDZPQHKZGHI-FXAWDEMLSA-N 3 2 345.531 3.474 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1C[NH+]1CCCCC1 ZINC000817951585 1319475225 /nfs/dbraw/zinc/47/52/25/1319475225.db2.gz GVOAAHWCYVWTIB-LPHOPBHVSA-N 3 2 331.504 3.084 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820558923 1319909689 /nfs/dbraw/zinc/90/96/89/1319909689.db2.gz SWQAHDGXQDHODE-KRWDZBQOSA-N 2 2 346.862 3.015 20 0 EGADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000820558923 1319909696 /nfs/dbraw/zinc/90/96/96/1319909696.db2.gz SWQAHDGXQDHODE-KRWDZBQOSA-N 2 2 346.862 3.015 20 0 EGADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930495250 1328875459 /nfs/dbraw/zinc/87/54/59/1328875459.db2.gz XMMKUSCTSZZHSG-UHFFFAOYSA-N 2 2 328.460 3.147 20 0 EGADLP Cc1ccc2[nH+]cc(CNc3ccc(OCC[NH+](C)C)c(F)c3)n2c1 ZINC000839189127 1320890534 /nfs/dbraw/zinc/89/05/34/1320890534.db2.gz AMASSJARUSJNMJ-UHFFFAOYSA-N 2 2 342.418 3.334 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CCC[NH2+]1 ZINC000841065280 1321211807 /nfs/dbraw/zinc/21/18/07/1321211807.db2.gz AEXOOTCHWXXQRJ-CQSZACIVSA-N 2 2 334.407 3.157 20 0 EGADLP CC(C)[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[C@H](C)[NH3+] ZINC000841823823 1321320044 /nfs/dbraw/zinc/32/00/44/1321320044.db2.gz HGBCBLQJRVRURO-XJKSGUPXSA-N 2 2 325.416 3.068 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000842160542 1321355491 /nfs/dbraw/zinc/35/54/91/1321355491.db2.gz YWLWEPZKDSVZDA-HXUWFJFHSA-N 2 2 341.499 3.097 20 0 EGADLP c1nnc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000930867153 1328992240 /nfs/dbraw/zinc/99/22/40/1328992240.db2.gz HAXYXWWGMGVLGO-UHFFFAOYSA-N 2 2 342.512 3.416 20 0 EGADLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000849079888 1322069864 /nfs/dbraw/zinc/06/98/64/1322069864.db2.gz ITZUCASJUNOPLO-INIZCTEOSA-N 2 2 336.361 3.343 20 0 EGADLP [NH2+]=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCC1 ZINC000849111276 1322082581 /nfs/dbraw/zinc/08/25/81/1322082581.db2.gz YABVORLQODPMQH-KRWDZBQOSA-N 2 2 340.496 3.078 20 0 EGADLP [NH2+]=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCC1 ZINC000849111276 1322082583 /nfs/dbraw/zinc/08/25/83/1322082583.db2.gz YABVORLQODPMQH-KRWDZBQOSA-N 2 2 340.496 3.078 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCCO2 ZINC000850423288 1322245479 /nfs/dbraw/zinc/24/54/79/1322245479.db2.gz SFQDMRDADKCFTO-OAHLLOKOSA-N 2 2 325.456 3.438 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492552 1322257882 /nfs/dbraw/zinc/25/78/82/1322257882.db2.gz DQZQRNBZJCXUNV-KFWWJZLASA-N 2 2 327.513 3.141 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC000850492552 1322257885 /nfs/dbraw/zinc/25/78/85/1322257885.db2.gz DQZQRNBZJCXUNV-KFWWJZLASA-N 2 2 327.513 3.141 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557821 1322267494 /nfs/dbraw/zinc/26/74/94/1322267494.db2.gz YCZFBDFJDJEKKN-MSOLQXFVSA-N 2 2 345.487 3.114 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557821 1322267502 /nfs/dbraw/zinc/26/75/02/1322267502.db2.gz YCZFBDFJDJEKKN-MSOLQXFVSA-N 2 2 345.487 3.114 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001024041395 1323093477 /nfs/dbraw/zinc/09/34/77/1323093477.db2.gz YXXXZVHARTXINO-QGZVFWFLSA-N 2 2 348.450 3.205 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670387 1323104409 /nfs/dbraw/zinc/10/44/09/1323104409.db2.gz ZPGAMIWHCUACQO-CVEARBPZSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cc(CO)on1 ZINC000924670387 1323104415 /nfs/dbraw/zinc/10/44/15/1323104415.db2.gz ZPGAMIWHCUACQO-CVEARBPZSA-N 2 2 343.471 3.250 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cnn(C)n1 ZINC000924686812 1323112842 /nfs/dbraw/zinc/11/28/42/1323112842.db2.gz VXFXRYKQVXZMII-BRWVUGGUSA-N 2 2 341.503 3.144 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)n1cc[nH+]c1 ZINC001024183411 1323195390 /nfs/dbraw/zinc/19/53/90/1323195390.db2.gz AQIHTPGEPLOKHG-SJORKVTESA-N 2 2 346.519 3.099 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)n1cc[nH+]c1 ZINC001024185153 1323196662 /nfs/dbraw/zinc/19/66/62/1323196662.db2.gz UWVXWNHGCLDHCN-HKUYNNGSSA-N 2 2 346.519 3.243 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493070 1323444121 /nfs/dbraw/zinc/44/41/21/1323444121.db2.gz SSYAABVFSQAGHV-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001024493070 1323444122 /nfs/dbraw/zinc/44/41/22/1323444122.db2.gz SSYAABVFSQAGHV-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493070 1323444127 /nfs/dbraw/zinc/44/41/27/1323444127.db2.gz SSYAABVFSQAGHV-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1CCCC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001024493070 1323444132 /nfs/dbraw/zinc/44/41/32/1323444132.db2.gz SSYAABVFSQAGHV-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)n1cc[nH+]c1 ZINC001025103715 1323897204 /nfs/dbraw/zinc/89/72/04/1323897204.db2.gz ZKYYRHSHNOIKQM-PKOBYXMFSA-N 2 2 344.503 3.305 20 0 EGADLP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)c1c[nH+]c[nH]1 ZINC001025138158 1323915524 /nfs/dbraw/zinc/91/55/24/1323915524.db2.gz JFMYHZVLJMSSNC-QGZVFWFLSA-N 2 2 346.519 3.238 20 0 EGADLP C[NH+](C)CC1(O)CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000931486480 1329129309 /nfs/dbraw/zinc/12/93/09/1329129309.db2.gz RFKHJKKXGDFNPB-UHFFFAOYSA-N 2 2 337.533 3.079 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582316 1324423653 /nfs/dbraw/zinc/42/36/53/1324423653.db2.gz RFPKYZAILDXYQF-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001025582316 1324423658 /nfs/dbraw/zinc/42/36/58/1324423658.db2.gz RFPKYZAILDXYQF-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001026919309 1325082726 /nfs/dbraw/zinc/08/27/26/1325082726.db2.gz GSFVNGXSSZYNAE-CVEARBPZSA-N 2 2 348.450 3.376 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339959 1325131518 /nfs/dbraw/zinc/13/15/18/1325131518.db2.gz NKDSGLCQODPQDH-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000963339959 1325131525 /nfs/dbraw/zinc/13/15/25/1325131525.db2.gz NKDSGLCQODPQDH-MOPGFXCFSA-N 2 2 346.519 3.022 20 0 EGADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc3[nH+]ccn31)CC2 ZINC000854676335 1325293305 /nfs/dbraw/zinc/29/33/05/1325293305.db2.gz LKPKKBFTYHAJLY-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP COc1ccc([C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C(C)C)cc1 ZINC000925800096 1325307313 /nfs/dbraw/zinc/30/73/13/1325307313.db2.gz WMQJMDNQNPAUBC-PKOBYXMFSA-N 2 2 332.488 3.141 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963550862 1325310135 /nfs/dbraw/zinc/31/01/35/1325310135.db2.gz IAHLDGYOKPVIAO-UHFFFAOYSA-N 2 2 340.471 3.336 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c(N2CCCC2)n1 ZINC000926121101 1325435875 /nfs/dbraw/zinc/43/58/75/1325435875.db2.gz LMBFIQLIFCFFSQ-RBUKOAKNSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c(N2CCCC2)n1 ZINC000926121101 1325435878 /nfs/dbraw/zinc/43/58/78/1325435878.db2.gz LMBFIQLIFCFFSQ-RBUKOAKNSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(N2CCCC2)n1 ZINC000926449710 1325559804 /nfs/dbraw/zinc/55/98/04/1325559804.db2.gz QPBPYBDEBQCCSI-RBUKOAKNSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc(N2CCCC2)n1 ZINC000926449710 1325559808 /nfs/dbraw/zinc/55/98/08/1325559808.db2.gz QPBPYBDEBQCCSI-RBUKOAKNSA-N 2 2 328.504 3.097 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)n(C)n1 ZINC000926744644 1327695635 /nfs/dbraw/zinc/69/56/35/1327695635.db2.gz JFTHVVRTHUFWMA-DSKINZAPSA-N 2 2 344.547 3.436 20 0 EGADLP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)n(C)n1 ZINC000926744644 1327695646 /nfs/dbraw/zinc/69/56/46/1327695646.db2.gz JFTHVVRTHUFWMA-DSKINZAPSA-N 2 2 344.547 3.436 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059323 1327834654 /nfs/dbraw/zinc/83/46/54/1327834654.db2.gz DIRZASILMBFKTH-NSISKUIASA-N 2 2 336.483 3.354 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000927059323 1327834661 /nfs/dbraw/zinc/83/46/61/1327834661.db2.gz DIRZASILMBFKTH-NSISKUIASA-N 2 2 336.483 3.354 20 0 EGADLP O[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000927144956 1327890425 /nfs/dbraw/zinc/89/04/25/1327890425.db2.gz VHAYDQBFNUOKQZ-YADHBBJMSA-N 2 2 336.479 3.289 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969066 1328441932 /nfs/dbraw/zinc/44/19/32/1328441932.db2.gz ANZNHJKFVDALFV-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001027969066 1328441937 /nfs/dbraw/zinc/44/19/37/1328441937.db2.gz ANZNHJKFVDALFV-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866530057 1330122367 /nfs/dbraw/zinc/12/23/67/1330122367.db2.gz WFIFJVXGQDCROF-HBFSDRIKSA-N 2 2 343.515 3.088 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866530057 1330122368 /nfs/dbraw/zinc/12/23/68/1330122368.db2.gz WFIFJVXGQDCROF-HBFSDRIKSA-N 2 2 343.515 3.088 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000866660972 1330138855 /nfs/dbraw/zinc/13/88/55/1330138855.db2.gz JZLWNUHJPGTKCP-DZGCQCFKSA-N 2 2 325.884 3.281 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000866660972 1330138858 /nfs/dbraw/zinc/13/88/58/1330138858.db2.gz JZLWNUHJPGTKCP-DZGCQCFKSA-N 2 2 325.884 3.281 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702273 1330142275 /nfs/dbraw/zinc/14/22/75/1330142275.db2.gz ADBQGPHXGDKESN-FOIQADDNSA-N 2 2 347.503 3.028 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702273 1330142276 /nfs/dbraw/zinc/14/22/76/1330142276.db2.gz ADBQGPHXGDKESN-FOIQADDNSA-N 2 2 347.503 3.028 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCC(C)C)[C@H](C)C3)ccn12 ZINC000947315273 1333086236 /nfs/dbraw/zinc/08/62/36/1333086236.db2.gz QIHPGWHJZLDHBD-QAPCUYQASA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCC(C)C)[C@H](C)C3)ccn12 ZINC000947315273 1333086238 /nfs/dbraw/zinc/08/62/38/1333086238.db2.gz QIHPGWHJZLDHBD-QAPCUYQASA-N 2 2 342.487 3.272 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572110 1333176030 /nfs/dbraw/zinc/17/60/30/1333176030.db2.gz KSFGLMTZYTVSQQ-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000947572110 1333176032 /nfs/dbraw/zinc/17/60/32/1333176032.db2.gz KSFGLMTZYTVSQQ-AEFFLSMTSA-N 2 2 340.471 3.111 20 0 EGADLP CC1CCC(C[N@@H+]2CCC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000948886403 1333719484 /nfs/dbraw/zinc/71/94/84/1333719484.db2.gz NLBJNIMYZLWZSQ-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP CC1CCC(C[N@H+]2CCC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000948886403 1333719489 /nfs/dbraw/zinc/71/94/89/1333719489.db2.gz NLBJNIMYZLWZSQ-ABHNRTSZSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886951 1333719748 /nfs/dbraw/zinc/71/97/48/1333719748.db2.gz UOAKXEVRCLLCLD-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886951 1333719750 /nfs/dbraw/zinc/71/97/50/1333719750.db2.gz UOAKXEVRCLLCLD-SJLPKXTDSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886949 1333719770 /nfs/dbraw/zinc/71/97/70/1333719770.db2.gz UOAKXEVRCLLCLD-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886949 1333719772 /nfs/dbraw/zinc/71/97/72/1333719772.db2.gz UOAKXEVRCLLCLD-AEFFLSMTSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000950962600 1334161259 /nfs/dbraw/zinc/16/12/59/1334161259.db2.gz SVACPIBUSYJIEO-QZTJIDSGSA-N 2 2 340.471 3.048 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444236 1334460845 /nfs/dbraw/zinc/46/08/45/1334460845.db2.gz KJHKHLQULFIOIG-QUCCMNQESA-N 2 2 345.531 3.036 20 0 EGADLP CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CC2=CCCCC2)C1 ZINC000952444236 1334460847 /nfs/dbraw/zinc/46/08/47/1334460847.db2.gz KJHKHLQULFIOIG-QUCCMNQESA-N 2 2 345.531 3.036 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1C ZINC000968596382 1335977892 /nfs/dbraw/zinc/97/78/92/1335977892.db2.gz ISDQANMYOFVDBG-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@H]1C ZINC000968596382 1335977895 /nfs/dbraw/zinc/97/78/95/1335977895.db2.gz ISDQANMYOFVDBG-DNVCBOLYSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@@H](F)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920826 1336090122 /nfs/dbraw/zinc/09/01/22/1336090122.db2.gz ZFOGPAITKDXXIO-ZBFHGGJFSA-N 2 2 346.450 3.285 20 0 EGADLP C[C@@H](F)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000968920826 1336090124 /nfs/dbraw/zinc/09/01/24/1336090124.db2.gz ZFOGPAITKDXXIO-ZBFHGGJFSA-N 2 2 346.450 3.285 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257480 1370697735 /nfs/dbraw/zinc/69/77/35/1370697735.db2.gz VTVGYSPHMDOYKF-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCCC2CCC2)C1 ZINC000969971858 1336268157 /nfs/dbraw/zinc/26/81/57/1336268157.db2.gz DPFWFNPTXKGHKC-CQSZACIVSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cccc(C[NH+]2CC([C@H](C)NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000969972349 1336268229 /nfs/dbraw/zinc/26/82/29/1336268229.db2.gz GUHGQMVIPIWCJM-HNNXBMFYSA-N 2 2 348.450 3.122 20 0 EGADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005979935 1336433587 /nfs/dbraw/zinc/43/35/87/1336433587.db2.gz JOVAKAQTBBTNPE-MRXNPFEDSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001009344218 1337009628 /nfs/dbraw/zinc/00/96/28/1337009628.db2.gz BXBSRGAWFQSEPH-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009344218 1337009631 /nfs/dbraw/zinc/00/96/31/1337009631.db2.gz BXBSRGAWFQSEPH-GOSISDBHSA-N 2 2 346.519 3.202 20 0 EGADLP CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001017170319 1338915830 /nfs/dbraw/zinc/91/58/30/1338915830.db2.gz XKOYKXHKJILCCQ-QGZVFWFLSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001017170319 1338915833 /nfs/dbraw/zinc/91/58/33/1338915833.db2.gz XKOYKXHKJILCCQ-QGZVFWFLSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239781 1340501226 /nfs/dbraw/zinc/50/12/26/1340501226.db2.gz WOPIOELOJYESSC-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239781 1340501229 /nfs/dbraw/zinc/50/12/29/1340501229.db2.gz WOPIOELOJYESSC-IBGZPJMESA-N 2 2 340.471 3.113 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632130 1340734930 /nfs/dbraw/zinc/73/49/30/1340734930.db2.gz BXIPEBADRJQDAY-AWEZNQCLSA-N 2 2 328.460 3.051 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632130 1340734931 /nfs/dbraw/zinc/73/49/31/1340734931.db2.gz BXIPEBADRJQDAY-AWEZNQCLSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686833 1340758520 /nfs/dbraw/zinc/75/85/20/1340758520.db2.gz DDCSRCCEJBACFT-IAGOWNOFSA-N 2 2 348.450 3.147 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001028686833 1340758523 /nfs/dbraw/zinc/75/85/23/1340758523.db2.gz DDCSRCCEJBACFT-IAGOWNOFSA-N 2 2 348.450 3.147 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001030313470 1341177942 /nfs/dbraw/zinc/17/79/42/1341177942.db2.gz ZCBGTFNLTMYJSZ-KRWDZBQOSA-N 2 2 343.515 3.121 20 0 EGADLP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001031769088 1341399505 /nfs/dbraw/zinc/39/95/05/1341399505.db2.gz XGAWFSJZNHBDOV-UHFFFAOYSA-N 2 2 348.450 3.042 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078198 1341717917 /nfs/dbraw/zinc/71/79/17/1341717917.db2.gz LRWBGGASTARVFV-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078198 1341717918 /nfs/dbraw/zinc/71/79/18/1341717918.db2.gz LRWBGGASTARVFV-SFHVURJKSA-N 2 2 342.487 3.225 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033304385 1341774593 /nfs/dbraw/zinc/77/45/93/1341774593.db2.gz NKBCWRAFWSJBIA-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033304385 1341774594 /nfs/dbraw/zinc/77/45/94/1341774594.db2.gz NKBCWRAFWSJBIA-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208854 1342318573 /nfs/dbraw/zinc/31/85/73/1342318573.db2.gz ZZFAEHGCQFQEQB-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208854 1342318576 /nfs/dbraw/zinc/31/85/76/1342318576.db2.gz ZZFAEHGCQFQEQB-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC001034261485 1342354645 /nfs/dbraw/zinc/35/46/45/1342354645.db2.gz ZINXZRZCBJBIRK-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC001034261485 1342354649 /nfs/dbraw/zinc/35/46/49/1342354649.db2.gz ZINXZRZCBJBIRK-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034270819 1342361820 /nfs/dbraw/zinc/36/18/20/1342361820.db2.gz IRGWOXZUBSKRMI-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034270819 1342361823 /nfs/dbraw/zinc/36/18/23/1342361823.db2.gz IRGWOXZUBSKRMI-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCC(C)CC2)C1 ZINC001034502831 1342561021 /nfs/dbraw/zinc/56/10/21/1342561021.db2.gz JFEULVCKOFPHSM-VJFUWPCTSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CC2CCC(C)CC2)C1 ZINC001034502831 1342561024 /nfs/dbraw/zinc/56/10/24/1342561024.db2.gz JFEULVCKOFPHSM-VJFUWPCTSA-N 2 2 346.519 3.058 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001034670899 1342681628 /nfs/dbraw/zinc/68/16/28/1342681628.db2.gz FOQNHLXAJXGWNN-QAQDUYKDSA-N 2 2 340.471 3.384 20 0 EGADLP CCCC[N@@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198104 1343011749 /nfs/dbraw/zinc/01/17/49/1343011749.db2.gz DSLBTIRQDVYVIB-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP CCCC[N@H+]1CCC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035198104 1343011753 /nfs/dbraw/zinc/01/17/53/1343011753.db2.gz DSLBTIRQDVYVIB-UHFFFAOYSA-N 2 2 340.471 3.291 20 0 EGADLP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035733936 1343159795 /nfs/dbraw/zinc/15/97/95/1343159795.db2.gz LJJBGGXVIMOZSJ-UHFFFAOYSA-N 2 2 338.455 3.067 20 0 EGADLP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001035807186 1343207810 /nfs/dbraw/zinc/20/78/10/1343207810.db2.gz HPEHAKMADYFKQD-QGZVFWFLSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCC1CCCCCC1 ZINC001036242102 1343374440 /nfs/dbraw/zinc/37/44/40/1343374440.db2.gz TWBFWEHUFFOIBX-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036393505 1343462367 /nfs/dbraw/zinc/46/23/67/1343462367.db2.gz IBJHLHGLEAANTK-AEFFLSMTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036395124 1343463193 /nfs/dbraw/zinc/46/31/93/1343463193.db2.gz PCTKJMCUZWVPKD-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001036454567 1343496238 /nfs/dbraw/zinc/49/62/38/1343496238.db2.gz DAPCRCMXNZSHKS-AEFFLSMTSA-N 2 2 346.519 3.139 20 0 EGADLP CC(C)[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001037244906 1344065400 /nfs/dbraw/zinc/06/54/00/1344065400.db2.gz ARIYFAVYPUFXHB-PKOBYXMFSA-N 2 2 340.471 3.159 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319885 1345430349 /nfs/dbraw/zinc/43/03/49/1345430349.db2.gz LVVNWBCHKRXHSJ-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319885 1345430352 /nfs/dbraw/zinc/43/03/52/1345430352.db2.gz LVVNWBCHKRXHSJ-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493513 1345519093 /nfs/dbraw/zinc/51/90/93/1345519093.db2.gz MRVFLQKOTIQXNO-UZLBHIALSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493513 1345519096 /nfs/dbraw/zinc/51/90/96/1345519096.db2.gz MRVFLQKOTIQXNO-UZLBHIALSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408076 1345720339 /nfs/dbraw/zinc/72/03/39/1345720339.db2.gz TXKSJFYXXSLGLA-FQEVSTJZSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041408076 1345720343 /nfs/dbraw/zinc/72/03/43/1345720343.db2.gz TXKSJFYXXSLGLA-FQEVSTJZSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118017 1345949002 /nfs/dbraw/zinc/94/90/02/1345949002.db2.gz UUIGWFWAYVEEAD-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118017 1345949003 /nfs/dbraw/zinc/94/90/03/1345949003.db2.gz UUIGWFWAYVEEAD-HNAYVOBHSA-N 2 2 338.455 3.066 20 0 EGADLP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001042923811 1346125304 /nfs/dbraw/zinc/12/53/04/1346125304.db2.gz NBWVAJONKSHKSH-HXUWFJFHSA-N 2 2 345.531 3.036 20 0 EGADLP CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001042923811 1346125306 /nfs/dbraw/zinc/12/53/06/1346125306.db2.gz NBWVAJONKSHKSH-HXUWFJFHSA-N 2 2 345.531 3.036 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232549 1346156180 /nfs/dbraw/zinc/15/61/80/1346156180.db2.gz KKFNOYFCCKTLOC-FQEVSTJZSA-N 2 2 348.450 3.242 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001043351345 1346168684 /nfs/dbraw/zinc/16/86/84/1346168684.db2.gz FKKXHBMXGQDNIS-MRXNPFEDSA-N 2 2 348.450 3.160 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628724 1346386827 /nfs/dbraw/zinc/38/68/27/1346386827.db2.gz XWCYWDCKHCFAJN-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628724 1346386830 /nfs/dbraw/zinc/38/68/30/1346386830.db2.gz XWCYWDCKHCFAJN-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP CCCC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001045439677 1346594552 /nfs/dbraw/zinc/59/45/52/1346594552.db2.gz SSPCFKRDJSHHNW-UHFFFAOYSA-N 2 2 328.460 3.027 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943047 1346778534 /nfs/dbraw/zinc/77/85/34/1346778534.db2.gz AFZSATAIPNDPDW-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943047 1346778535 /nfs/dbraw/zinc/77/85/35/1346778535.db2.gz AFZSATAIPNDPDW-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943047 1346778538 /nfs/dbraw/zinc/77/85/38/1346778538.db2.gz AFZSATAIPNDPDW-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943047 1346778540 /nfs/dbraw/zinc/77/85/40/1346778540.db2.gz AFZSATAIPNDPDW-XLIONFOSSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](Cc2ccsc2)C1 ZINC001046414780 1346966736 /nfs/dbraw/zinc/96/67/36/1346966736.db2.gz JFWZZLMPDYTOFW-GOSISDBHSA-N 2 2 340.452 3.019 20 0 EGADLP C[C@@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](Cc2ccsc2)C1 ZINC001046414780 1346966738 /nfs/dbraw/zinc/96/67/38/1346966738.db2.gz JFWZZLMPDYTOFW-GOSISDBHSA-N 2 2 340.452 3.019 20 0 EGADLP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001047244168 1347269976 /nfs/dbraw/zinc/26/99/76/1347269976.db2.gz QKBHUXKDJMATEL-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001047244168 1347269979 /nfs/dbraw/zinc/26/99/79/1347269979.db2.gz QKBHUXKDJMATEL-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001047258375 1347281344 /nfs/dbraw/zinc/28/13/44/1347281344.db2.gz YNJGYJJAGPUPHS-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527454 1347892756 /nfs/dbraw/zinc/89/27/56/1347892756.db2.gz QIAVWEKVBPVAPL-ZAWLATJESA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527454 1347892757 /nfs/dbraw/zinc/89/27/57/1347892757.db2.gz QIAVWEKVBPVAPL-ZAWLATJESA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527454 1347892760 /nfs/dbraw/zinc/89/27/60/1347892760.db2.gz QIAVWEKVBPVAPL-ZAWLATJESA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527454 1347892761 /nfs/dbraw/zinc/89/27/61/1347892761.db2.gz QIAVWEKVBPVAPL-ZAWLATJESA-N 2 2 344.503 3.015 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544471 1347900139 /nfs/dbraw/zinc/90/01/39/1347900139.db2.gz DBJHBCAHRWRXHA-CGTJXYLNSA-N 2 2 346.519 3.038 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001049544471 1347900141 /nfs/dbraw/zinc/90/01/41/1347900141.db2.gz DBJHBCAHRWRXHA-CGTJXYLNSA-N 2 2 346.519 3.038 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552054 1347905087 /nfs/dbraw/zinc/90/50/87/1347905087.db2.gz KSXPIIHXHYWFHH-RBUKOAKNSA-N 2 2 340.471 3.288 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001049552054 1347905089 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C[C@@H]([NH2+]C1CC(CNC(=O)c2cccc3[nH+]ccn32)C1)c1ccccc1 ZINC001091141960 1360997634 /nfs/dbraw/zinc/99/76/34/1360997634.db2.gz VAOILJDQEFVXOW-KLHKWILBSA-N 2 2 348.450 3.194 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001184850866 1387549311 /nfs/dbraw/zinc/54/93/11/1387549311.db2.gz HVAHHDQXPURRKP-MSOLQXFVSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184904314 1387560023 /nfs/dbraw/zinc/56/00/23/1387560023.db2.gz QKIKEIWICQQNMZ-MSOLQXFVSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106473 1363624734 /nfs/dbraw/zinc/62/47/34/1363624734.db2.gz GSXOAWKSLWURBN-DUMMIQTOSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001099106473 1363624737 /nfs/dbraw/zinc/62/47/37/1363624737.db2.gz GSXOAWKSLWURBN-DUMMIQTOSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C/CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106473 1363624739 /nfs/dbraw/zinc/62/47/39/1363624739.db2.gz GSXOAWKSLWURBN-DUMMIQTOSA-N 2 2 346.519 3.305 20 0 EGADLP CC/C=C/CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001099106473 1363624742 /nfs/dbraw/zinc/62/47/42/1363624742.db2.gz GSXOAWKSLWURBN-DUMMIQTOSA-N 2 2 346.519 3.305 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115645 1363631929 /nfs/dbraw/zinc/63/19/29/1363631929.db2.gz IYEWLUUWYRAPTL-ROUUACIJSA-N 2 2 348.535 3.487 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001099115645 1363631931 /nfs/dbraw/zinc/63/19/31/1363631931.db2.gz IYEWLUUWYRAPTL-ROUUACIJSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251925 1363715089 /nfs/dbraw/zinc/71/50/89/1363715089.db2.gz PBLISDGEECHUPF-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001099251925 1363715093 /nfs/dbraw/zinc/71/50/93/1363715093.db2.gz PBLISDGEECHUPF-MSOLQXFVSA-N 2 2 348.535 3.487 20 0 EGADLP C[C@@H](CC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001100715485 1364233058 /nfs/dbraw/zinc/23/30/58/1364233058.db2.gz NTLXWPIFQPNZNY-IVMQYODDSA-N 2 2 346.519 3.289 20 0 EGADLP CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001101593580 1364645185 /nfs/dbraw/zinc/64/51/85/1364645185.db2.gz ZMURVKXKOGHDID-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001185571635 1387752505 /nfs/dbraw/zinc/75/25/05/1387752505.db2.gz FEZABPHQURAXTH-DOTOQJQBSA-N 2 2 348.535 3.161 20 0 EGADLP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788304 1387799797 /nfs/dbraw/zinc/79/97/97/1387799797.db2.gz MTEATADUIJENAF-RTBURBONSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001105097659 1366325647 /nfs/dbraw/zinc/32/56/47/1366325647.db2.gz WKJJBRCNTMIFAN-XOIGSVRCSA-N 2 2 346.519 3.094 20 0 EGADLP CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001105566212 1366534239 /nfs/dbraw/zinc/53/42/39/1366534239.db2.gz GRIYWHDKHWNDIN-ROUUACIJSA-N 2 2 346.519 3.385 20 0 EGADLP CCCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105569899 1366537348 /nfs/dbraw/zinc/53/73/48/1366537348.db2.gz AQDTUEFOPJGLQF-KRWDZBQOSA-N 2 2 346.519 3.283 20 0 EGADLP CC[C@@H](C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001105570482 1366537869 /nfs/dbraw/zinc/53/78/69/1366537869.db2.gz RNGHJKOCHXKZTI-SJORKVTESA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C2)c[nH+]1 ZINC001106308071 1366649024 /nfs/dbraw/zinc/64/90/24/1366649024.db2.gz ZKFLFALWNHBHJU-SJLPKXTDSA-N 2 2 348.535 3.047 20 0 EGADLP CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001108711634 1367549160 /nfs/dbraw/zinc/54/91/60/1367549160.db2.gz NGNLONCMQLWNHQ-XIRDDKMYSA-N 2 2 338.455 3.112 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108736281 1367565927 /nfs/dbraw/zinc/56/59/27/1367565927.db2.gz XEUSONDYCJDRIF-BZSNNMDCSA-N 2 2 346.519 3.069 20 0 EGADLP CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001108799028 1367603083 /nfs/dbraw/zinc/60/30/83/1367603083.db2.gz KGCVPYRXPOFERA-ULQDDVLXSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110750561 1367959875 /nfs/dbraw/zinc/95/98/75/1367959875.db2.gz QWRQDXQIYSRXRV-LZQZEXGQSA-N 2 2 340.471 3.168 20 0 EGADLP CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110750561 1367959879 /nfs/dbraw/zinc/95/98/79/1367959879.db2.gz QWRQDXQIYSRXRV-LZQZEXGQSA-N 2 2 340.471 3.168 20 0 EGADLP CCC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076624 1368153108 /nfs/dbraw/zinc/15/31/08/1368153108.db2.gz PVBUITUIKOAOQN-RRHNZMBISA-N 2 2 344.503 3.302 20 0 EGADLP CCC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001111076624 1368153111 /nfs/dbraw/zinc/15/31/11/1368153111.db2.gz PVBUITUIKOAOQN-RRHNZMBISA-N 2 2 344.503 3.302 20 0 EGADLP CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001112418343 1368834249 /nfs/dbraw/zinc/83/42/49/1368834249.db2.gz VPZNJQWRRIAVCI-NSHGMRRFSA-N 2 2 346.519 3.099 20 0 EGADLP CCCCC[N@@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001197668665 1368868519 /nfs/dbraw/zinc/86/85/19/1368868519.db2.gz DZKMEZMGDCJULL-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP CCCCC[N@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001197668665 1368868521 /nfs/dbraw/zinc/86/85/21/1368868521.db2.gz DZKMEZMGDCJULL-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001197929664 1368926162 /nfs/dbraw/zinc/92/61/62/1368926162.db2.gz KFKWSXYGSOGNMH-FZKQIMNGSA-N 2 2 349.837 3.118 20 0 EGADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001197929664 1368926170 /nfs/dbraw/zinc/92/61/70/1368926170.db2.gz KFKWSXYGSOGNMH-FZKQIMNGSA-N 2 2 349.837 3.118 20 0 EGADLP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001113033054 1369154411 /nfs/dbraw/zinc/15/44/11/1369154411.db2.gz XDRNNKVZESTBOG-UHFFFAOYSA-N 2 2 345.531 3.185 20 0 EGADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001113033054 1369154412 /nfs/dbraw/zinc/15/44/12/1369154412.db2.gz XDRNNKVZESTBOG-UHFFFAOYSA-N 2 2 345.531 3.185 20 0 EGADLP COc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC001199188360 1369189313 /nfs/dbraw/zinc/18/93/13/1369189313.db2.gz AKMPKYKDPPDJRM-UHFFFAOYSA-N 2 2 325.387 3.369 20 0 EGADLP C[C@@H]1Cc2cc(C[NH2+]CC3([NH+]4CCSCC4)CCCC3)ccc2O1 ZINC001199259836 1369198801 /nfs/dbraw/zinc/19/88/01/1369198801.db2.gz YMJZVYOJQYTHGX-MRXNPFEDSA-N 2 2 346.540 3.461 20 0 EGADLP CC(C)CCC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182770 1369491469 /nfs/dbraw/zinc/49/14/69/1369491469.db2.gz MYWTXFHAUDXTOP-LJQANCHMSA-N 2 2 348.535 3.487 20 0 EGADLP CCC/C=C\CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001202693690 1369853815 /nfs/dbraw/zinc/85/38/15/1369853815.db2.gz CCIXWLZRIXKOSQ-KEGWNNHHSA-N 2 2 332.492 3.161 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202694929 1369854718 /nfs/dbraw/zinc/85/47/18/1369854718.db2.gz WJXJKMYFTLEHJR-SJORKVTESA-N 2 2 334.508 3.097 20 0 EGADLP CCC(CC)[N@H+](CC(=O)N(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203014267 1369954324 /nfs/dbraw/zinc/95/43/24/1369954324.db2.gz DTMZHBMOMPETBK-UHFFFAOYSA-N 2 2 345.531 3.230 20 0 EGADLP CCC(CC)[N@@H+](CC(=O)N(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203014267 1369954327 /nfs/dbraw/zinc/95/43/27/1369954327.db2.gz DTMZHBMOMPETBK-UHFFFAOYSA-N 2 2 345.531 3.230 20 0 EGADLP CNc1ccc(Nc2ccc(OCC[NH+]3CCCC3)c(OC)c2)c[nH+]1 ZINC001203461891 1370134891 /nfs/dbraw/zinc/13/48/91/1370134891.db2.gz CZATYIUTYYOQAO-UHFFFAOYSA-N 2 2 342.443 3.350 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001203659497 1370205854 /nfs/dbraw/zinc/20/58/54/1370205854.db2.gz IBCKIYXBTWGJMI-PJHKVULZSA-N 2 2 344.503 3.024 20 0 EGADLP CCCCOc1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001203970143 1370335070 /nfs/dbraw/zinc/33/50/70/1370335070.db2.gz GRBHNDHTYNISHB-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP CCCCOc1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001203970143 1370335077 /nfs/dbraw/zinc/33/50/77/1370335077.db2.gz GRBHNDHTYNISHB-UHFFFAOYSA-N 2 2 334.504 3.408 20 0 EGADLP Cc1c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575369 1370521103 /nfs/dbraw/zinc/52/11/03/1370521103.db2.gz ZSUVTWKIQBVGPF-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575369 1370521108 /nfs/dbraw/zinc/52/11/08/1370521108.db2.gz ZSUVTWKIQBVGPF-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575369 1370521112 /nfs/dbraw/zinc/52/11/12/1370521112.db2.gz ZSUVTWKIQBVGPF-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Cc1c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cnn1C ZINC001204575369 1370521115 /nfs/dbraw/zinc/52/11/15/1370521115.db2.gz ZSUVTWKIQBVGPF-NRFANRHFSA-N 2 2 338.499 3.217 20 0 EGADLP Clc1ncc(COc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)s1 ZINC001204660576 1370538551 /nfs/dbraw/zinc/53/85/51/1370538551.db2.gz CZOQAULGQJFDBH-UHFFFAOYSA-N 2 2 337.876 3.171 20 0 EGADLP Clc1ncc(COc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)s1 ZINC001204660576 1370538557 /nfs/dbraw/zinc/53/85/57/1370538557.db2.gz CZOQAULGQJFDBH-UHFFFAOYSA-N 2 2 337.876 3.171 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115567180 1370568009 /nfs/dbraw/zinc/56/80/09/1370568009.db2.gz SUPDFZGOSIUBIM-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CC2CCCCC2)CCCCC1 ZINC001115567180 1370568012 /nfs/dbraw/zinc/56/80/12/1370568012.db2.gz SUPDFZGOSIUBIM-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP CCC[N@@H+]1CCc2c(N)sc(Nc3ccn4cc[nH+]c4c3)c2C1 ZINC001204972311 1370617873 /nfs/dbraw/zinc/61/78/73/1370617873.db2.gz ZIYVXPIWQPWBHI-UHFFFAOYSA-N 2 2 327.457 3.490 20 0 EGADLP CCC[N@H+]1CCc2c(N)sc(Nc3ccn4cc[nH+]c4c3)c2C1 ZINC001204972311 1370617878 /nfs/dbraw/zinc/61/78/78/1370617878.db2.gz ZIYVXPIWQPWBHI-UHFFFAOYSA-N 2 2 327.457 3.490 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2OC)C1 ZINC001205009283 1370627386 /nfs/dbraw/zinc/62/73/86/1370627386.db2.gz MFPSVPOFRSYXTG-LBPRGKRZSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2OC)C1 ZINC001205009283 1370627389 /nfs/dbraw/zinc/62/73/89/1370627389.db2.gz MFPSVPOFRSYXTG-LBPRGKRZSA-N 2 2 332.366 3.025 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2cc(Cl)cc(Br)c2F)CC1 ZINC001205053017 1370639082 /nfs/dbraw/zinc/63/90/82/1370639082.db2.gz GMBUCUPLYMOHMR-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)c(Cl)c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146085 1370662464 /nfs/dbraw/zinc/66/24/64/1370662464.db2.gz MXSZAPMNMKKVDI-DZGCQCFKSA-N 2 2 332.879 3.169 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)c(Cl)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146085 1370662467 /nfs/dbraw/zinc/66/24/67/1370662467.db2.gz MXSZAPMNMKKVDI-DZGCQCFKSA-N 2 2 332.879 3.169 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257480 1370697733 /nfs/dbraw/zinc/69/77/33/1370697733.db2.gz VTVGYSPHMDOYKF-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305864 1370715109 /nfs/dbraw/zinc/71/51/09/1370715109.db2.gz SXRGTRXQSNBNMK-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205305864 1370715112 /nfs/dbraw/zinc/71/51/12/1370715112.db2.gz SXRGTRXQSNBNMK-OCCSQVGLSA-N 2 2 341.293 3.265 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115789861 1370772061 /nfs/dbraw/zinc/77/20/61/1370772061.db2.gz BFMUMYKIJBGHLS-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC001205542278 1370786189 /nfs/dbraw/zinc/78/61/89/1370786189.db2.gz YBRNTOHDMFZSTQ-MRXNPFEDSA-N 2 2 332.488 3.448 20 0 EGADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC001205542278 1370786192 /nfs/dbraw/zinc/78/61/92/1370786192.db2.gz YBRNTOHDMFZSTQ-MRXNPFEDSA-N 2 2 332.488 3.448 20 0 EGADLP c1cc(-c2ccc(CC[NH+]3CCOCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC001205636902 1370821888 /nfs/dbraw/zinc/82/18/88/1370821888.db2.gz GKDGSCVZMXDQLQ-UHFFFAOYSA-N 2 2 337.467 3.224 20 0 EGADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653279 1370828297 /nfs/dbraw/zinc/82/82/97/1370828297.db2.gz SKIFXXRGRAMDLT-LSDHHAIUSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205653279 1370828301 /nfs/dbraw/zinc/82/83/01/1370828301.db2.gz SKIFXXRGRAMDLT-LSDHHAIUSA-N 3 2 332.879 3.333 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCOc2ccccc21 ZINC001116064445 1370830439 /nfs/dbraw/zinc/83/04/39/1370830439.db2.gz AMAUMMDFGNGCKZ-HNNXBMFYSA-N 2 2 334.379 3.081 20 0 EGADLP COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205780657 1370867482 /nfs/dbraw/zinc/86/74/82/1370867482.db2.gz ROIOTPZIKMCCAE-LLVKDONJSA-N 2 2 338.320 3.130 20 0 EGADLP COc1cc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC001205780657 1370867488 /nfs/dbraw/zinc/86/74/88/1370867488.db2.gz ROIOTPZIKMCCAE-LLVKDONJSA-N 2 2 338.320 3.130 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccnc3c(Cl)cccc23)CCC1(F)F ZINC001205788785 1370871005 /nfs/dbraw/zinc/87/10/05/1370871005.db2.gz RJLMCFSISPSFCM-GFCCVEGCSA-N 2 2 325.790 3.304 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccnc3c(Cl)cccc23)CCC1(F)F ZINC001205788785 1370871012 /nfs/dbraw/zinc/87/10/12/1370871012.db2.gz RJLMCFSISPSFCM-GFCCVEGCSA-N 2 2 325.790 3.304 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351116 1370891275 /nfs/dbraw/zinc/89/12/75/1370891275.db2.gz ZKZDWGNXFACWOT-CRAIPNDOSA-N 2 2 347.409 3.278 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(F)cc2F)[nH+]1 ZINC001116351116 1370891279 /nfs/dbraw/zinc/89/12/79/1370891279.db2.gz ZKZDWGNXFACWOT-CRAIPNDOSA-N 2 2 347.409 3.278 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923021 1370911801 /nfs/dbraw/zinc/91/18/01/1370911801.db2.gz GQCJRAZQTSDQPH-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205923021 1370911805 /nfs/dbraw/zinc/91/18/05/1370911805.db2.gz GQCJRAZQTSDQPH-OLZOCXBDSA-N 2 2 341.293 3.325 20 0 EGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001205932512 1370915957 /nfs/dbraw/zinc/91/59/57/1370915957.db2.gz KZJQBFCTSRIEBC-DBXWQHBBSA-N 2 2 332.532 3.456 20 0 EGADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001205932512 1370915959 /nfs/dbraw/zinc/91/59/59/1370915959.db2.gz KZJQBFCTSRIEBC-DBXWQHBBSA-N 2 2 332.532 3.456 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@H]1F ZINC001206182491 1370983510 /nfs/dbraw/zinc/98/35/10/1370983510.db2.gz AMDROWJEURRVDP-CHWSQXEVSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c(Br)[nH]c3ccccc32)CC[C@H]1F ZINC001206182491 1370983514 /nfs/dbraw/zinc/98/35/14/1370983514.db2.gz AMDROWJEURRVDP-CHWSQXEVSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206351976 1371030015 /nfs/dbraw/zinc/03/00/15/1371030015.db2.gz LIYMXDHDLXLBPA-HNNXBMFYSA-N 2 2 344.356 3.235 20 0 EGADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206351976 1371030020 /nfs/dbraw/zinc/03/00/20/1371030020.db2.gz LIYMXDHDLXLBPA-HNNXBMFYSA-N 2 2 344.356 3.235 20 0 EGADLP CCOc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)cn1 ZINC001206606295 1371107898 /nfs/dbraw/zinc/10/78/98/1371107898.db2.gz JKUVEFNHEGVFOZ-HNNXBMFYSA-N 2 2 325.884 3.486 20 0 EGADLP CCOc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(Cl)cn1 ZINC001206606295 1371107900 /nfs/dbraw/zinc/10/79/00/1371107900.db2.gz JKUVEFNHEGVFOZ-HNNXBMFYSA-N 2 2 325.884 3.486 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(Br)c1 ZINC001206641380 1371116434 /nfs/dbraw/zinc/11/64/34/1371116434.db2.gz WMLITWFZLSUQFJ-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(Br)c1 ZINC001206641380 1371116436 /nfs/dbraw/zinc/11/64/36/1371116436.db2.gz WMLITWFZLSUQFJ-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001118241580 1371151923 /nfs/dbraw/zinc/15/19/23/1371151923.db2.gz ZRJJFIMIIGDORD-QGZVFWFLSA-N 2 2 332.407 3.319 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CCC3(CC2)OCc2cc(Cl)ccc23)n1C ZINC001206794964 1371168984 /nfs/dbraw/zinc/16/89/84/1371168984.db2.gz KKGKIJKIUOOJAC-UHFFFAOYSA-N 2 2 331.847 3.403 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171208 /nfs/dbraw/zinc/17/12/08/1371171208.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171211 /nfs/dbraw/zinc/17/12/11/1371171211.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171214 /nfs/dbraw/zinc/17/12/14/1371171214.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 3 2 338.499 3.073 20 0 EGADLP Cc1[nH+]cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1C ZINC001206797122 1371171216 /nfs/dbraw/zinc/17/12/16/1371171216.db2.gz UPXRNXIYRRMICD-VQTJNVASSA-N 3 2 338.499 3.073 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001206872954 1371198949 /nfs/dbraw/zinc/19/89/49/1371198949.db2.gz ZOUFWUCLQWDOHZ-MRXNPFEDSA-N 2 2 348.535 3.198 20 0 EGADLP CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001207194284 1371325830 /nfs/dbraw/zinc/32/58/30/1371325830.db2.gz RVSMKLMPJCKSRU-UHFFFAOYSA-N 2 2 339.524 3.050 20 0 EGADLP CC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC001207194284 1371325835 /nfs/dbraw/zinc/32/58/35/1371325835.db2.gz RVSMKLMPJCKSRU-UHFFFAOYSA-N 2 2 339.524 3.050 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323607 1371360973 /nfs/dbraw/zinc/36/09/73/1371360973.db2.gz VPQAXAFPVDQRHW-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323607 1371360975 /nfs/dbraw/zinc/36/09/75/1371360975.db2.gz VPQAXAFPVDQRHW-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323607 1371360978 /nfs/dbraw/zinc/36/09/78/1371360978.db2.gz VPQAXAFPVDQRHW-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@@H]21 ZINC001207323607 1371360980 /nfs/dbraw/zinc/36/09/80/1371360980.db2.gz VPQAXAFPVDQRHW-RDJZCZTQSA-N 2 2 337.305 3.408 20 0 EGADLP FC1(F)CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001207345108 1371366839 /nfs/dbraw/zinc/36/68/39/1371366839.db2.gz AYXHGPSXSUFCNT-CALCHBBNSA-N 2 2 335.442 3.271 20 0 EGADLP FC1(F)CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001207345108 1371366842 /nfs/dbraw/zinc/36/68/42/1371366842.db2.gz AYXHGPSXSUFCNT-CALCHBBNSA-N 2 2 335.442 3.271 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001207345108 1371366846 /nfs/dbraw/zinc/36/68/46/1371366846.db2.gz AYXHGPSXSUFCNT-CALCHBBNSA-N 2 2 335.442 3.271 20 0 EGADLP FC1(F)CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)CC1 ZINC001207345108 1371366849 /nfs/dbraw/zinc/36/68/49/1371366849.db2.gz AYXHGPSXSUFCNT-CALCHBBNSA-N 2 2 335.442 3.271 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnn(C3CCC3)c2)[nH+]1 ZINC001119937024 1371426823 /nfs/dbraw/zinc/42/68/23/1371426823.db2.gz QBBPJSQEXILNHZ-GOSISDBHSA-N 2 2 325.460 3.388 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnn(C3CCC3)c2)[nH+]1 ZINC001119937024 1371426828 /nfs/dbraw/zinc/42/68/28/1371426828.db2.gz QBBPJSQEXILNHZ-GOSISDBHSA-N 2 2 325.460 3.388 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CC1CCSCC1)CC2 ZINC001207707536 1371479819 /nfs/dbraw/zinc/47/98/19/1371479819.db2.gz VJDQZVBTIGRVIY-UHFFFAOYSA-N 2 2 336.549 3.027 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CC1CCSCC1)CC2 ZINC001207707536 1371479822 /nfs/dbraw/zinc/47/98/22/1371479822.db2.gz VJDQZVBTIGRVIY-UHFFFAOYSA-N 2 2 336.549 3.027 20 0 EGADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429735 1371573469 /nfs/dbraw/zinc/57/34/69/1371573469.db2.gz ARZZRFYEBKFSGA-VOSNQSNISA-N 2 2 344.503 3.012 20 0 EGADLP CC/C=C\CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001120429735 1371573471 /nfs/dbraw/zinc/57/34/71/1371573471.db2.gz ARZZRFYEBKFSGA-VOSNQSNISA-N 2 2 344.503 3.012 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1 ZINC001120560917 1371611453 /nfs/dbraw/zinc/61/14/53/1371611453.db2.gz KPSNYFCIUXATCA-LEWJYISDSA-N 2 2 349.478 3.287 20 0 EGADLP Fc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001208196179 1371637285 /nfs/dbraw/zinc/63/72/85/1371637285.db2.gz XZEIITBLYPDFLD-CALCHBBNSA-N 2 2 330.472 3.494 20 0 EGADLP Fc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001208196179 1371637286 /nfs/dbraw/zinc/63/72/86/1371637286.db2.gz XZEIITBLYPDFLD-CALCHBBNSA-N 2 2 330.472 3.494 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001208196179 1371637291 /nfs/dbraw/zinc/63/72/91/1371637291.db2.gz XZEIITBLYPDFLD-CALCHBBNSA-N 2 2 330.472 3.494 20 0 EGADLP Fc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001208196179 1371637294 /nfs/dbraw/zinc/63/72/94/1371637294.db2.gz XZEIITBLYPDFLD-CALCHBBNSA-N 2 2 330.472 3.494 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001208386897 1371746547 /nfs/dbraw/zinc/74/65/47/1371746547.db2.gz KDHVQAUOHJRASF-ZWKOTPCHSA-N 2 2 348.535 3.487 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387080 1371746787 /nfs/dbraw/zinc/74/67/87/1371746787.db2.gz MRZNXHKTLQBMPZ-WYNBNGFRSA-N 2 2 346.519 3.407 20 0 EGADLP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605488 1371838687 /nfs/dbraw/zinc/83/86/87/1371838687.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 3 2 341.543 3.439 20 0 EGADLP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605488 1371838690 /nfs/dbraw/zinc/83/86/90/1371838690.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 3 2 341.543 3.439 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605488 1371838693 /nfs/dbraw/zinc/83/86/93/1371838693.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 3 2 341.543 3.439 20 0 EGADLP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@@H]21 ZINC001208605488 1371838695 /nfs/dbraw/zinc/83/86/95/1371838695.db2.gz AQUPNCFTIFXUJQ-MQGJPIDWSA-N 3 2 341.543 3.439 20 0 EGADLP c1ccc(COCCOCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC001208743613 1371881884 /nfs/dbraw/zinc/88/18/84/1371881884.db2.gz XJLWVLUEQJOFLO-UHFFFAOYSA-N 2 2 346.515 3.170 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1 ZINC001208743528 1371882227 /nfs/dbraw/zinc/88/22/27/1371882227.db2.gz WAJPKEFEKAQKSA-UHFFFAOYSA-N 2 2 331.847 3.108 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208808414 1371902853 /nfs/dbraw/zinc/90/28/53/1371902853.db2.gz WUSVBDCKWIUIJY-GOSISDBHSA-N 2 2 338.455 3.033 20 0 EGADLP CCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC001121289161 1371923186 /nfs/dbraw/zinc/92/31/86/1371923186.db2.gz QSCSSKMGSVHJAM-UHFFFAOYSA-N 2 2 346.519 3.134 20 0 EGADLP O=c1[nH]ccc2c1CC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208943744 1371956572 /nfs/dbraw/zinc/95/65/72/1371956572.db2.gz NKLUZRIKLRYFMR-GOSISDBHSA-N 2 2 337.467 3.058 20 0 EGADLP O=c1[nH]ccc2c1CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208943744 1371956575 /nfs/dbraw/zinc/95/65/75/1371956575.db2.gz NKLUZRIKLRYFMR-GOSISDBHSA-N 2 2 337.467 3.058 20 0 EGADLP O=c1[nH]ccc2c1CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208943744 1371956580 /nfs/dbraw/zinc/95/65/80/1371956580.db2.gz NKLUZRIKLRYFMR-GOSISDBHSA-N 2 2 337.467 3.058 20 0 EGADLP O=c1[nH]ccc2c1CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208943744 1371956583 /nfs/dbraw/zinc/95/65/83/1371956583.db2.gz NKLUZRIKLRYFMR-GOSISDBHSA-N 2 2 337.467 3.058 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001209141515 1372012416 /nfs/dbraw/zinc/01/24/16/1372012416.db2.gz SMYIOXYPMWLIQJ-INIZCTEOSA-N 2 2 349.475 3.100 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001209141515 1372012418 /nfs/dbraw/zinc/01/24/18/1372012418.db2.gz SMYIOXYPMWLIQJ-INIZCTEOSA-N 2 2 349.475 3.100 20 0 EGADLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCc1cccnc1)[C@H]2C ZINC001209173701 1372025071 /nfs/dbraw/zinc/02/50/71/1372025071.db2.gz GZMJYYFYNOEXLR-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCc1cccnc1)[C@H]2C ZINC001209173701 1372025073 /nfs/dbraw/zinc/02/50/73/1372025073.db2.gz GZMJYYFYNOEXLR-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCc1cccnc1)[C@H]2C ZINC001209173701 1372025077 /nfs/dbraw/zinc/02/50/77/1372025077.db2.gz GZMJYYFYNOEXLR-KRWDZBQOSA-N 2 2 341.503 3.128 20 0 EGADLP C[C@@H]1CC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)C[C@@H](C)O1 ZINC001209382613 1372084774 /nfs/dbraw/zinc/08/47/74/1372084774.db2.gz UIHLLVOFQNSFET-DGQTTZFYSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@@H]1CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)C[C@@H](C)O1 ZINC001209382613 1372084777 /nfs/dbraw/zinc/08/47/77/1372084777.db2.gz UIHLLVOFQNSFET-DGQTTZFYSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@@H]1CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)C[C@@H](C)O1 ZINC001209382613 1372084783 /nfs/dbraw/zinc/08/47/83/1372084783.db2.gz UIHLLVOFQNSFET-DGQTTZFYSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@@H]1CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)C[C@@H](C)O1 ZINC001209382613 1372084787 /nfs/dbraw/zinc/08/47/87/1372084787.db2.gz UIHLLVOFQNSFET-DGQTTZFYSA-N 2 2 343.515 3.039 20 0 EGADLP FC1(F)CN(CCC[NH+]2CCCCC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001209455107 1372110079 /nfs/dbraw/zinc/11/00/79/1372110079.db2.gz YLSSMEZGDCHBHZ-KRWDZBQOSA-N 2 2 329.479 3.058 20 0 EGADLP CC/C=C/CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001122284684 1372221250 /nfs/dbraw/zinc/22/12/50/1372221250.db2.gz BETCCICTVFUCTA-ONEGZZNKSA-N 2 2 344.503 3.037 20 0 EGADLP Oc1ccc(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1Cl ZINC001210267224 1372310150 /nfs/dbraw/zinc/31/01/50/1372310150.db2.gz XELZJTZGTRNKTM-UHFFFAOYSA-N 2 2 339.226 3.247 20 0 EGADLP C[NH+]1CCC(n2cc(Nc3ccc(Cn4cc[nH+]c4)cc3)cn2)CC1 ZINC001210755429 1372420315 /nfs/dbraw/zinc/42/03/15/1372420315.db2.gz INEOLVYIFAFPTK-UHFFFAOYSA-N 2 2 336.443 3.138 20 0 EGADLP [NH3+]CCc1ccc(Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001212216166 1372672256 /nfs/dbraw/zinc/67/22/56/1372672256.db2.gz XXNIDVAWNDXTQL-UHFFFAOYSA-N 2 2 345.406 3.014 20 0 EGADLP c1ccc(Oc2c[nH+]ccc2Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212350667 1372692083 /nfs/dbraw/zinc/69/20/83/1372692083.db2.gz YNXXAABCWCUPNZ-UHFFFAOYSA-N 2 2 348.406 3.271 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@H]3CCCc4ccccc43)ccn12 ZINC001127292856 1373113098 /nfs/dbraw/zinc/11/30/98/1373113098.db2.gz NMKDUFXOFRAHAP-IBGZPJMESA-N 2 2 348.450 3.040 20 0 EGADLP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916653 1373141738 /nfs/dbraw/zinc/14/17/38/1373141738.db2.gz IJRHTIOLHVUYPY-KZNAEPCWSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)C[NH2+]Cc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)cc1 ZINC001215744768 1373234947 /nfs/dbraw/zinc/23/49/47/1373234947.db2.gz ICGVNMHKVRFUQC-IBGZPJMESA-N 2 2 340.471 3.142 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CC1CCC(C)CC1)n1cc[nH+]c1 ZINC001130001835 1373444388 /nfs/dbraw/zinc/44/43/88/1373444388.db2.gz YZAWPOOWUMHCHL-DAWZGUTISA-N 2 2 334.508 3.002 20 0 EGADLP O=C(NCC[NH2+]Cc1ccc(C2CCC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001130265850 1373481166 /nfs/dbraw/zinc/48/11/66/1373481166.db2.gz BJIPOJZGSNIIFA-UHFFFAOYSA-N 2 2 348.450 3.350 20 0 EGADLP Cn1c[nH+]cc1C[C@H]([NH3+])c1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC001217692857 1373489575 /nfs/dbraw/zinc/48/95/75/1373489575.db2.gz DAZOBUOGNIXMMP-HNNXBMFYSA-N 2 2 325.416 3.010 20 0 EGADLP [NH3+][C@H](c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697330 1373490200 /nfs/dbraw/zinc/49/02/00/1373490200.db2.gz HEEGSTZVRQHOAQ-MSOLQXFVSA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+][C@H](c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697330 1373490202 /nfs/dbraw/zinc/49/02/02/1373490202.db2.gz HEEGSTZVRQHOAQ-MSOLQXFVSA-N 2 2 334.423 3.107 20 0 EGADLP Nc1ccc(-c2ccc(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)cc2)cc1 ZINC001218861165 1373662833 /nfs/dbraw/zinc/66/28/33/1373662833.db2.gz CSNOWHBFCSTDPC-FQEVSTJZSA-N 2 2 346.434 3.147 20 0 EGADLP O=C(NCC[NH2+]Cc1ccc(C2CCC2)cc1)c1cccc2[nH+]ccn21 ZINC001131270158 1373672808 /nfs/dbraw/zinc/67/28/08/1373672808.db2.gz DWQMIRGBRDTMBG-UHFFFAOYSA-N 2 2 348.450 3.121 20 0 EGADLP CCc1ccc(C[NH2+]CCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001131562932 1373721376 /nfs/dbraw/zinc/72/13/76/1373721376.db2.gz QLYNECRFWMCARJ-UHFFFAOYSA-N 2 2 325.456 3.089 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2)c(C)[nH+]1 ZINC001131562977 1373721422 /nfs/dbraw/zinc/72/14/22/1373721422.db2.gz SQWNMIXWHOJJPZ-AWEZNQCLSA-N 2 2 329.419 3.227 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CC/C=C/c2ccccc2)c(C)[nH+]1 ZINC001131560246 1373721496 /nfs/dbraw/zinc/72/14/96/1373721496.db2.gz DPNAPPVQKNKWCY-YRNVUSSQSA-N 2 2 337.467 3.430 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC001219950162 1373741311 /nfs/dbraw/zinc/74/13/11/1373741311.db2.gz KSWQOXXDVUACFC-GQOXECLESA-N 2 2 337.467 3.101 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091927 1373816892 /nfs/dbraw/zinc/81/68/92/1373816892.db2.gz DSKJSFGFPJZJSL-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132023885 1375103665 /nfs/dbraw/zinc/10/36/65/1375103665.db2.gz BOFDNCKIHNKGCB-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132023885 1375103667 /nfs/dbraw/zinc/10/36/67/1375103667.db2.gz BOFDNCKIHNKGCB-FUHWJXTLSA-N 2 2 346.519 3.282 20 0 EGADLP C[NH+](C)Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001225330291 1375104936 /nfs/dbraw/zinc/10/49/36/1375104936.db2.gz FBPWCQOYLMODLH-NRFANRHFSA-N 2 2 340.467 3.028 20 0 EGADLP C[NH+](C)Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001225330291 1375104939 /nfs/dbraw/zinc/10/49/39/1375104939.db2.gz FBPWCQOYLMODLH-NRFANRHFSA-N 2 2 340.467 3.028 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091173 1375141267 /nfs/dbraw/zinc/14/12/67/1375141267.db2.gz TWUCNGREWXXLHN-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC1CCCC1 ZINC001132091173 1375141270 /nfs/dbraw/zinc/14/12/70/1375141270.db2.gz TWUCNGREWXXLHN-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC1CCCC1 ZINC001132091173 1375141272 /nfs/dbraw/zinc/14/12/72/1375141272.db2.gz TWUCNGREWXXLHN-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC1CCCC1 ZINC001132091173 1375141275 /nfs/dbraw/zinc/14/12/75/1375141275.db2.gz TWUCNGREWXXLHN-VQIMIIECSA-N 2 2 346.519 3.282 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123828 1375158524 /nfs/dbraw/zinc/15/85/24/1375158524.db2.gz JXIVHOYJJCAWKS-ZWKOTPCHSA-N 2 2 348.535 3.332 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC(C)C)C2)c[nH+]1 ZINC001132123828 1375158525 /nfs/dbraw/zinc/15/85/25/1375158525.db2.gz JXIVHOYJJCAWKS-ZWKOTPCHSA-N 2 2 348.535 3.332 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CCCCCF ZINC001132132427 1375162847 /nfs/dbraw/zinc/16/28/47/1375162847.db2.gz QVEKBSQGOHQYOU-GDBMZVCRSA-N 2 2 346.450 3.285 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132195429 1375201150 /nfs/dbraw/zinc/20/11/50/1375201150.db2.gz OSRLEFAYNCJDHH-IRXDYDNUSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCCC(C)(C)C ZINC001132195429 1375201155 /nfs/dbraw/zinc/20/11/55/1375201155.db2.gz OSRLEFAYNCJDHH-IRXDYDNUSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCC(C)(C)C ZINC001132221086 1375218183 /nfs/dbraw/zinc/21/81/83/1375218183.db2.gz BTZKEWGCCQJNDJ-IAGOWNOFSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCC(C)(C)C ZINC001132221086 1375218186 /nfs/dbraw/zinc/21/81/86/1375218186.db2.gz BTZKEWGCCQJNDJ-IAGOWNOFSA-N 2 2 334.508 3.069 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001226696041 1375311143 /nfs/dbraw/zinc/31/11/43/1375311143.db2.gz DEEDUXJULXUTGV-RTBURBONSA-N 2 2 344.503 3.250 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001226696041 1375311147 /nfs/dbraw/zinc/31/11/47/1375311147.db2.gz DEEDUXJULXUTGV-RTBURBONSA-N 2 2 344.503 3.250 20 0 EGADLP CC(C)[NH+]1CC(Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001226743781 1375324453 /nfs/dbraw/zinc/32/44/53/1375324453.db2.gz XGRADIYWOHVWFO-UHFFFAOYSA-N 2 2 337.467 3.111 20 0 EGADLP CC(C)[NH+]1CC(Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C1 ZINC001226743781 1375324455 /nfs/dbraw/zinc/32/44/55/1375324455.db2.gz XGRADIYWOHVWFO-UHFFFAOYSA-N 2 2 337.467 3.111 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001227165320 1375400795 /nfs/dbraw/zinc/40/07/95/1375400795.db2.gz LTBGOYBIMMZNSJ-QXAKKESOSA-N 2 2 346.519 3.043 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001227165319 1375401118 /nfs/dbraw/zinc/40/11/18/1375401118.db2.gz LTBGOYBIMMZNSJ-BHIYHBOVSA-N 2 2 346.519 3.043 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001227459945 1375433513 /nfs/dbraw/zinc/43/35/13/1375433513.db2.gz WJJDCCCDIFSQMP-IAGOWNOFSA-N 2 2 342.487 3.401 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001229046405 1375751087 /nfs/dbraw/zinc/75/10/87/1375751087.db2.gz NXHPVGLCJMOSSW-ATZDWAIDSA-N 2 2 346.519 3.186 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001229046405 1375751096 /nfs/dbraw/zinc/75/10/96/1375751096.db2.gz NXHPVGLCJMOSSW-ATZDWAIDSA-N 2 2 346.519 3.186 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618073 1376104410 /nfs/dbraw/zinc/10/44/10/1376104410.db2.gz JSLCRUSFUDBFNM-IBGZPJMESA-N 2 2 346.519 3.154 20 0 EGADLP CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230618073 1376104426 /nfs/dbraw/zinc/10/44/26/1376104426.db2.gz JSLCRUSFUDBFNM-IBGZPJMESA-N 2 2 346.519 3.154 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230629439 1376107948 /nfs/dbraw/zinc/10/79/48/1376107948.db2.gz OPKBZBBUCPNTHG-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001230629439 1376107952 /nfs/dbraw/zinc/10/79/52/1376107952.db2.gz OPKBZBBUCPNTHG-IBGZPJMESA-N 2 2 346.519 3.166 20 0 EGADLP CC[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)n1)C1CC[NH+](C)CC1 ZINC001232602371 1376488138 /nfs/dbraw/zinc/48/81/38/1376488138.db2.gz CRNMPGDENADOIO-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP CC[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)n1)C1CC[NH+](C)CC1 ZINC001232602371 1376488140 /nfs/dbraw/zinc/48/81/40/1376488140.db2.gz CRNMPGDENADOIO-UHFFFAOYSA-N 2 2 348.491 3.345 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCCF)ccn12 ZINC001134369226 1376496540 /nfs/dbraw/zinc/49/65/40/1376496540.db2.gz IWBJQYGHZKIDIC-CABCVRRESA-N 2 2 348.466 3.269 20 0 EGADLP Cc1nc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1Br ZINC001232670612 1376497421 /nfs/dbraw/zinc/49/74/21/1376497421.db2.gz IVTNKEXCPJAZNM-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1nc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1Br ZINC001232670612 1376497423 /nfs/dbraw/zinc/49/74/23/1376497423.db2.gz IVTNKEXCPJAZNM-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn5ccccc45)C[C@@H]3C2)cc1 ZINC001233237659 1376597628 /nfs/dbraw/zinc/59/76/28/1376597628.db2.gz VICUXEYCDKMTIV-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnn5ccccc45)C[C@@H]3C2)cc1 ZINC001233237659 1376597631 /nfs/dbraw/zinc/59/76/31/1376597631.db2.gz VICUXEYCDKMTIV-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnn5ccccc45)C[C@@H]3C2)cc1 ZINC001233237659 1376597634 /nfs/dbraw/zinc/59/76/34/1376597634.db2.gz VICUXEYCDKMTIV-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn5ccccc45)C[C@@H]3C2)cc1 ZINC001233237659 1376597637 /nfs/dbraw/zinc/59/76/37/1376597637.db2.gz VICUXEYCDKMTIV-OYRHEFFESA-N 2 2 346.478 3.207 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001134732870 1376684410 /nfs/dbraw/zinc/68/44/10/1376684410.db2.gz PKCJWUYAKLZCLQ-HZPDHXFCSA-N 2 2 347.503 3.086 20 0 EGADLP CC(C)(C)Oc1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020642 1376829350 /nfs/dbraw/zinc/82/93/50/1376829350.db2.gz GLXBWHATVMGXSI-FQEVSTJZSA-N 2 2 332.488 3.066 20 0 EGADLP CC(C)(C)Oc1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235020642 1376829355 /nfs/dbraw/zinc/82/93/55/1376829355.db2.gz GLXBWHATVMGXSI-FQEVSTJZSA-N 2 2 332.488 3.066 20 0 EGADLP COC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235040209 1376838055 /nfs/dbraw/zinc/83/80/55/1376838055.db2.gz RHXHEBXEYDFPLQ-SFHVURJKSA-N 2 2 336.863 3.235 20 0 EGADLP COC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1 ZINC001235040209 1376838060 /nfs/dbraw/zinc/83/80/60/1376838060.db2.gz RHXHEBXEYDFPLQ-SFHVURJKSA-N 2 2 336.863 3.235 20 0 EGADLP c1cc(-c2ccccc2)sc1C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114790 1376845880 /nfs/dbraw/zinc/84/58/80/1376845880.db2.gz NPKIQDQZORVESF-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP c1cc(-c2ccccc2)sc1C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114790 1376845884 /nfs/dbraw/zinc/84/58/84/1376845884.db2.gz NPKIQDQZORVESF-IBGZPJMESA-N 2 2 328.481 3.370 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OCc2ccccc2)c1 ZINC001235191351 1376857820 /nfs/dbraw/zinc/85/78/20/1376857820.db2.gz RXSIZYNQJBHXHU-MOPGFXCFSA-N 2 2 340.442 3.446 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(OCc2ccccc2)c1 ZINC001235191351 1376857830 /nfs/dbraw/zinc/85/78/30/1376857830.db2.gz RXSIZYNQJBHXHU-MOPGFXCFSA-N 2 2 340.442 3.446 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(F)(F)F)c(C)[nH+]1 ZINC001135044378 1376865099 /nfs/dbraw/zinc/86/50/99/1376865099.db2.gz TWXMMZIWCJVOAY-WCQYABFASA-N 2 2 345.409 3.446 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC1CCCC1 ZINC001235273436 1376865417 /nfs/dbraw/zinc/86/54/17/1376865417.db2.gz STMIBEULXALWIB-AEFFLSMTSA-N 2 2 330.472 3.200 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC1CCCC1 ZINC001235273436 1376865419 /nfs/dbraw/zinc/86/54/19/1376865419.db2.gz STMIBEULXALWIB-AEFFLSMTSA-N 2 2 330.472 3.200 20 0 EGADLP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632112 1376878403 /nfs/dbraw/zinc/87/84/03/1376878403.db2.gz FISFIFDDCMMTEU-ROUUACIJSA-N 2 2 334.508 3.193 20 0 EGADLP CCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235632112 1376878404 /nfs/dbraw/zinc/87/84/04/1376878404.db2.gz FISFIFDDCMMTEU-ROUUACIJSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138242 1376929141 /nfs/dbraw/zinc/92/91/41/1376929141.db2.gz YQMCOFPUYQZNML-IAGOWNOFSA-N 2 2 348.535 3.363 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653829 1376957776 /nfs/dbraw/zinc/95/77/76/1376957776.db2.gz SFGCZHVQFFLVAG-LJQANCHMSA-N 2 2 328.504 3.178 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236653829 1376957793 /nfs/dbraw/zinc/95/77/93/1376957793.db2.gz SFGCZHVQFFLVAG-LJQANCHMSA-N 2 2 328.504 3.178 20 0 EGADLP CCC[N@@H+](Cc1ccc(C(=O)OCC)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844115 1376966773 /nfs/dbraw/zinc/96/67/73/1376966773.db2.gz SWQZYHMXMWCOOQ-CQSZACIVSA-N 2 2 338.879 3.338 20 0 EGADLP CCC[N@H+](Cc1ccc(C(=O)OCC)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236844115 1376966777 /nfs/dbraw/zinc/96/67/77/1376966777.db2.gz SWQZYHMXMWCOOQ-CQSZACIVSA-N 2 2 338.879 3.338 20 0 EGADLP Clc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CCO4)o2)cc1 ZINC001237142037 1376976706 /nfs/dbraw/zinc/97/67/06/1376976706.db2.gz LFFMXPZKAZOHHZ-SFHVURJKSA-N 2 2 332.831 3.164 20 0 EGADLP Clc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCO4)o2)cc1 ZINC001237142037 1376976718 /nfs/dbraw/zinc/97/67/18/1376976718.db2.gz LFFMXPZKAZOHHZ-SFHVURJKSA-N 2 2 332.831 3.164 20 0 EGADLP COCOc1c(C)cccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001244657189 1377038755 /nfs/dbraw/zinc/03/87/55/1377038755.db2.gz CFMKPTXARBLBGE-KRWDZBQOSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1c(C)cccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001244657189 1377038759 /nfs/dbraw/zinc/03/87/59/1377038759.db2.gz CFMKPTXARBLBGE-KRWDZBQOSA-N 2 2 326.440 3.178 20 0 EGADLP C[C@@H]1CC[C@H](NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)C[NH2+]1 ZINC001246297012 1377050935 /nfs/dbraw/zinc/05/09/35/1377050935.db2.gz UBUKVBSOEPXSIT-PVXIVEMSSA-N 2 2 330.303 3.326 20 0 EGADLP CCCC[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380427 1377051712 /nfs/dbraw/zinc/05/17/12/1377051712.db2.gz HCGJRZVKWWOWKV-RTBURBONSA-N 3 2 347.522 3.391 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc(F)c4cc[nH]c43)CC2)CC1 ZINC001248818641 1377070159 /nfs/dbraw/zinc/07/01/59/1377070159.db2.gz VKCNYKLMZXEMMI-UHFFFAOYSA-N 2 2 345.462 3.382 20 0 EGADLP CCC[C@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528551 1377107114 /nfs/dbraw/zinc/10/71/14/1377107114.db2.gz GYZVKUJMLLTOGX-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528551 1377107116 /nfs/dbraw/zinc/10/71/16/1377107116.db2.gz GYZVKUJMLLTOGX-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528551 1377107118 /nfs/dbraw/zinc/10/71/18/1377107118.db2.gz GYZVKUJMLLTOGX-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254528551 1377107120 /nfs/dbraw/zinc/10/71/20/1377107120.db2.gz GYZVKUJMLLTOGX-SJORKVTESA-N 2 2 339.524 3.192 20 0 EGADLP CC(C)CC(CC(C)C)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258834610 1377119680 /nfs/dbraw/zinc/11/96/80/1377119680.db2.gz LHJIERQXGKAJEQ-UHFFFAOYSA-N 2 2 344.507 3.189 20 0 EGADLP CC(C)CC(CC(C)C)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001258834610 1377119681 /nfs/dbraw/zinc/11/96/81/1377119681.db2.gz LHJIERQXGKAJEQ-UHFFFAOYSA-N 2 2 344.507 3.189 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136051376 1377313256 /nfs/dbraw/zinc/31/32/56/1377313256.db2.gz ABJNLXNMFJLKGP-IAGOWNOFSA-N 2 2 348.535 3.196 20 0 EGADLP Clc1cncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001136993029 1377452693 /nfs/dbraw/zinc/45/26/93/1377452693.db2.gz VCSFYQDHMSIQPD-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001136993029 1377452696 /nfs/dbraw/zinc/45/26/96/1377452696.db2.gz VCSFYQDHMSIQPD-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001136993029 1377452698 /nfs/dbraw/zinc/45/26/98/1377452698.db2.gz VCSFYQDHMSIQPD-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1cncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001136993029 1377452700 /nfs/dbraw/zinc/45/27/00/1377452700.db2.gz VCSFYQDHMSIQPD-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001137165194 1377489514 /nfs/dbraw/zinc/48/95/14/1377489514.db2.gz APNBYJLGCGWFMB-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001137165194 1377489516 /nfs/dbraw/zinc/48/95/16/1377489516.db2.gz APNBYJLGCGWFMB-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001137165194 1377489517 /nfs/dbraw/zinc/48/95/17/1377489517.db2.gz APNBYJLGCGWFMB-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP Clc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cn1 ZINC001137165194 1377489520 /nfs/dbraw/zinc/48/95/20/1377489520.db2.gz APNBYJLGCGWFMB-MSOLQXFVSA-N 2 2 342.874 3.084 20 0 EGADLP COCC[N@H+](Cc1ccc2cc(C)ccc2n1)C1CC[NH+](C)CC1 ZINC001137215692 1377498482 /nfs/dbraw/zinc/49/84/82/1377498482.db2.gz HRNZQQUWWHHTTK-UHFFFAOYSA-N 2 2 327.472 3.086 20 0 EGADLP COCC[N@@H+](Cc1ccc2cc(C)ccc2n1)C1CC[NH+](C)CC1 ZINC001137215692 1377498485 /nfs/dbraw/zinc/49/84/85/1377498485.db2.gz HRNZQQUWWHHTTK-UHFFFAOYSA-N 2 2 327.472 3.086 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740680 1377568533 /nfs/dbraw/zinc/56/85/33/1377568533.db2.gz LLQLGRGSYHAFGD-WDSOQIARSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740680 1377568535 /nfs/dbraw/zinc/56/85/35/1377568535.db2.gz LLQLGRGSYHAFGD-WDSOQIARSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740680 1377568536 /nfs/dbraw/zinc/56/85/36/1377568536.db2.gz LLQLGRGSYHAFGD-WDSOQIARSA-N 2 2 346.519 3.234 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740680 1377568539 /nfs/dbraw/zinc/56/85/39/1377568539.db2.gz LLQLGRGSYHAFGD-WDSOQIARSA-N 2 2 346.519 3.234 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3ccc(F)nc3)CC2)c2ccccc2[nH+]1 ZINC001137735122 1377607063 /nfs/dbraw/zinc/60/70/63/1377607063.db2.gz DUFYTNOZYBTXFG-UHFFFAOYSA-N 2 2 336.414 3.400 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001271459499 1377632550 /nfs/dbraw/zinc/63/25/50/1377632550.db2.gz UJWMHNDSDZCNCJ-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP c1cc(N2CCCCC2)oc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001138178656 1377687640 /nfs/dbraw/zinc/68/76/40/1377687640.db2.gz PUZSHBGGEZNUIV-GOSISDBHSA-N 2 2 327.428 3.318 20 0 EGADLP c1cc(N2CCCCC2)oc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001138178656 1377687642 /nfs/dbraw/zinc/68/76/42/1377687642.db2.gz PUZSHBGGEZNUIV-GOSISDBHSA-N 2 2 327.428 3.318 20 0 EGADLP Cn1c2ccccc2nc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001138381095 1377712734 /nfs/dbraw/zinc/71/27/34/1377712734.db2.gz AASLLPHPRDNJLB-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP Cn1c2ccccc2nc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001138381095 1377712735 /nfs/dbraw/zinc/71/27/35/1377712735.db2.gz AASLLPHPRDNJLB-UHFFFAOYSA-N 2 2 326.488 3.412 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ncccn4)c3)C[C@@H]2C1 ZINC001138624213 1377756157 /nfs/dbraw/zinc/75/61/57/1377756157.db2.gz YINMRGIGSORTOV-HDICACEKSA-N 2 2 338.455 3.043 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(Oc4ncccn4)c3)C[C@@H]2C1 ZINC001138624213 1377756158 /nfs/dbraw/zinc/75/61/58/1377756158.db2.gz YINMRGIGSORTOV-HDICACEKSA-N 2 2 338.455 3.043 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)C[C@@H]2C1 ZINC001138624213 1377756159 /nfs/dbraw/zinc/75/61/59/1377756159.db2.gz YINMRGIGSORTOV-HDICACEKSA-N 2 2 338.455 3.043 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(Oc4ncccn4)c3)C[C@@H]2C1 ZINC001138624213 1377756160 /nfs/dbraw/zinc/75/61/60/1377756160.db2.gz YINMRGIGSORTOV-HDICACEKSA-N 2 2 338.455 3.043 20 0 EGADLP c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)ccc2o1 ZINC001138823173 1377792027 /nfs/dbraw/zinc/79/20/27/1377792027.db2.gz QVQBTESKODBKPJ-OALUTQOASA-N 2 2 333.435 3.392 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)cc3OCC)C[C@@H]2C1 ZINC001138983651 1377813050 /nfs/dbraw/zinc/81/30/50/1377813050.db2.gz BKRHOJYFZLKEFQ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC)cc3OCC)C[C@@H]2C1 ZINC001138983651 1377813054 /nfs/dbraw/zinc/81/30/54/1377813054.db2.gz BKRHOJYFZLKEFQ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC)cc3OCC)C[C@@H]2C1 ZINC001138983651 1377813057 /nfs/dbraw/zinc/81/30/57/1377813057.db2.gz BKRHOJYFZLKEFQ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC)cc3OCC)C[C@@H]2C1 ZINC001138983651 1377813060 /nfs/dbraw/zinc/81/30/60/1377813060.db2.gz BKRHOJYFZLKEFQ-HDICACEKSA-N 2 2 332.488 3.258 20 0 EGADLP Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001139053177 1377822162 /nfs/dbraw/zinc/82/21/62/1377822162.db2.gz UZECGBMUHFNVLZ-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cc1ccc2c(c1)C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC001139053177 1377822164 /nfs/dbraw/zinc/82/21/64/1377822164.db2.gz UZECGBMUHFNVLZ-UHFFFAOYSA-N 2 2 336.479 3.386 20 0 EGADLP Cn1ccc2c1cccc2C[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001139156602 1377841444 /nfs/dbraw/zinc/84/14/44/1377841444.db2.gz XGDVCFYWCZXNRS-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2c1cccc2C[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001139156602 1377841445 /nfs/dbraw/zinc/84/14/45/1377841445.db2.gz XGDVCFYWCZXNRS-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001139156602 1377841447 /nfs/dbraw/zinc/84/14/47/1377841447.db2.gz XGDVCFYWCZXNRS-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001139156602 1377841449 /nfs/dbraw/zinc/84/14/49/1377841449.db2.gz XGDVCFYWCZXNRS-BGYRXZFFSA-N 2 2 346.478 3.137 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185400 1377845608 /nfs/dbraw/zinc/84/56/08/1377845608.db2.gz VJFLQEGUWMHBPZ-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185400 1377845611 /nfs/dbraw/zinc/84/56/11/1377845611.db2.gz VJFLQEGUWMHBPZ-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185400 1377845613 /nfs/dbraw/zinc/84/56/13/1377845613.db2.gz VJFLQEGUWMHBPZ-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4cc(Br)ccc4[nH]3)C2)C1 ZINC001139185400 1377845616 /nfs/dbraw/zinc/84/56/16/1377845616.db2.gz VJFLQEGUWMHBPZ-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1N ZINC001139273407 1377860811 /nfs/dbraw/zinc/86/08/11/1377860811.db2.gz XDBBZOZCIVDOPE-INIZCTEOSA-N 2 2 347.503 3.126 20 0 EGADLP COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1N ZINC001139273407 1377860816 /nfs/dbraw/zinc/86/08/16/1377860816.db2.gz XDBBZOZCIVDOPE-INIZCTEOSA-N 2 2 347.503 3.126 20 0 EGADLP Fc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC001139364521 1377874771 /nfs/dbraw/zinc/87/47/71/1377874771.db2.gz UWTVGSNHVIXBJL-UHFFFAOYSA-N 2 2 336.414 3.334 20 0 EGADLP CC[NH+]1C[C@H]2C[NH+](Cc3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 ZINC001139475617 1377891304 /nfs/dbraw/zinc/89/13/04/1377891304.db2.gz GZFOSMSADIVAQN-KBPBESRZSA-N 2 2 348.288 3.314 20 0 EGADLP CCOc1ccc(C)cc1C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001139607384 1377916760 /nfs/dbraw/zinc/91/67/60/1377916760.db2.gz QFCJBCUQDOSRIK-UHFFFAOYSA-N 2 2 346.515 3.469 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139760914 1377947111 /nfs/dbraw/zinc/94/71/11/1377947111.db2.gz AVUSKUMDJWWCOV-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001139760914 1377947123 /nfs/dbraw/zinc/94/71/23/1377947123.db2.gz AVUSKUMDJWWCOV-GOSISDBHSA-N 2 2 332.488 3.020 20 0 EGADLP c1cc(C[NH+]2CC3CCC(CC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763663 1377948108 /nfs/dbraw/zinc/94/81/08/1377948108.db2.gz ALWCMMOEQJJLPM-UHFFFAOYSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(C[N@@H+]2CCCC3(CCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139768841 1377948194 /nfs/dbraw/zinc/94/81/94/1377948194.db2.gz OWWBWHFPOAYOHA-UHFFFAOYSA-N 2 2 344.499 3.164 20 0 EGADLP c1cc(C[N@H+]2CCCC3(CCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139768841 1377948195 /nfs/dbraw/zinc/94/81/95/1377948195.db2.gz OWWBWHFPOAYOHA-UHFFFAOYSA-N 2 2 344.499 3.164 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835598 1377959768 /nfs/dbraw/zinc/95/97/68/1377959768.db2.gz DZTQFVPHGLHTIH-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835598 1377959769 /nfs/dbraw/zinc/95/97/69/1377959769.db2.gz DZTQFVPHGLHTIH-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835598 1377959770 /nfs/dbraw/zinc/95/97/70/1377959770.db2.gz DZTQFVPHGLHTIH-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccn1 ZINC001139835598 1377959771 /nfs/dbraw/zinc/95/97/71/1377959771.db2.gz DZTQFVPHGLHTIH-RTBURBONSA-N 2 2 325.431 3.175 20 0 EGADLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)c(F)c1)CC2 ZINC001140212923 1378032027 /nfs/dbraw/zinc/03/20/27/1378032027.db2.gz KBCKWUIPQBGCGE-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3sc(NC(C)(C)C)nc3Cl)C[C@@H]2C1 ZINC001140392314 1378056937 /nfs/dbraw/zinc/05/69/37/1378056937.db2.gz RAKNYBOPKLZSDE-NEPJUHHUSA-N 2 2 342.940 3.390 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3sc(NC(C)(C)C)nc3Cl)C[C@@H]2C1 ZINC001140392314 1378056938 /nfs/dbraw/zinc/05/69/38/1378056938.db2.gz RAKNYBOPKLZSDE-NEPJUHHUSA-N 2 2 342.940 3.390 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3sc(NC(C)(C)C)nc3Cl)C[C@@H]2C1 ZINC001140392314 1378056939 /nfs/dbraw/zinc/05/69/39/1378056939.db2.gz RAKNYBOPKLZSDE-NEPJUHHUSA-N 2 2 342.940 3.390 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3sc(NC(C)(C)C)nc3Cl)C[C@@H]2C1 ZINC001140392314 1378056940 /nfs/dbraw/zinc/05/69/40/1378056940.db2.gz RAKNYBOPKLZSDE-NEPJUHHUSA-N 2 2 342.940 3.390 20 0 EGADLP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275166328 1378137443 /nfs/dbraw/zinc/13/74/43/1378137443.db2.gz SEXKGYCLIHMEHY-INIZCTEOSA-N 2 2 334.426 3.438 20 0 EGADLP FC(F)(F)CCC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001275166328 1378137445 /nfs/dbraw/zinc/13/74/45/1378137445.db2.gz SEXKGYCLIHMEHY-INIZCTEOSA-N 2 2 334.426 3.438 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001275166328 1378137446 /nfs/dbraw/zinc/13/74/46/1378137446.db2.gz SEXKGYCLIHMEHY-INIZCTEOSA-N 2 2 334.426 3.438 20 0 EGADLP FC(F)(F)CCC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001275166328 1378137449 /nfs/dbraw/zinc/13/74/49/1378137449.db2.gz SEXKGYCLIHMEHY-INIZCTEOSA-N 2 2 334.426 3.438 20 0 EGADLP C[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001140805132 1378143147 /nfs/dbraw/zinc/14/31/47/1378143147.db2.gz SYEXENZRORGPCY-KBPBESRZSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001140805132 1378143148 /nfs/dbraw/zinc/14/31/48/1378143148.db2.gz SYEXENZRORGPCY-KBPBESRZSA-N 2 2 344.459 3.393 20 0 EGADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805000 1378143784 /nfs/dbraw/zinc/14/37/84/1378143784.db2.gz NXLYFLBGVFJYKX-ZFWWWQNUSA-N 2 2 344.459 3.298 20 0 EGADLP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140805000 1378143788 /nfs/dbraw/zinc/14/37/88/1378143788.db2.gz NXLYFLBGVFJYKX-ZFWWWQNUSA-N 2 2 344.459 3.298 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807421 1378146215 /nfs/dbraw/zinc/14/62/15/1378146215.db2.gz YUSKTGHHGNMHGB-DZGCQCFKSA-N 2 2 344.459 3.441 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807421 1378146221 /nfs/dbraw/zinc/14/62/21/1378146221.db2.gz YUSKTGHHGNMHGB-DZGCQCFKSA-N 2 2 344.459 3.441 20 0 EGADLP Oc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892857 1378161160 /nfs/dbraw/zinc/16/11/60/1378161160.db2.gz YMDGQVRVDRIWHD-HXUWFJFHSA-N 2 2 325.456 3.208 20 0 EGADLP Oc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892857 1378161165 /nfs/dbraw/zinc/16/11/65/1378161165.db2.gz YMDGQVRVDRIWHD-HXUWFJFHSA-N 2 2 325.456 3.208 20 0 EGADLP Oc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892857 1378161168 /nfs/dbraw/zinc/16/11/68/1378161168.db2.gz YMDGQVRVDRIWHD-HXUWFJFHSA-N 2 2 325.456 3.208 20 0 EGADLP Oc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc[nH]4)C3)C2)cc1 ZINC001275892857 1378161171 /nfs/dbraw/zinc/16/11/71/1378161171.db2.gz YMDGQVRVDRIWHD-HXUWFJFHSA-N 2 2 325.456 3.208 20 0 EGADLP Cc1ncoc1C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001141053382 1378221211 /nfs/dbraw/zinc/22/12/11/1378221211.db2.gz CHRNEQRNVGJVNY-UHFFFAOYSA-N 2 2 334.379 3.490 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC001278172994 1378261605 /nfs/dbraw/zinc/26/16/05/1378261605.db2.gz FNLLEBUCEJUIAT-MRXNPFEDSA-N 2 2 340.471 3.421 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001141611680 1378350614 /nfs/dbraw/zinc/35/06/14/1378350614.db2.gz HNUYOZLLIFHNJN-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001141611680 1378350616 /nfs/dbraw/zinc/35/06/16/1378350616.db2.gz HNUYOZLLIFHNJN-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001141611680 1378350619 /nfs/dbraw/zinc/35/06/19/1378350619.db2.gz HNUYOZLLIFHNJN-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP COc1cc(C(F)(F)F)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001141611680 1378350622 /nfs/dbraw/zinc/35/06/22/1378350622.db2.gz HNUYOZLLIFHNJN-MRXNPFEDSA-N 2 2 328.378 3.242 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770582 1378372356 /nfs/dbraw/zinc/37/23/56/1378372356.db2.gz SSLAYXCDOLJKNP-QZTJIDSGSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770582 1378372360 /nfs/dbraw/zinc/37/23/60/1378372360.db2.gz SSLAYXCDOLJKNP-QZTJIDSGSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001142590222 1378461935 /nfs/dbraw/zinc/46/19/35/1378461935.db2.gz MKOCFIHGGVNROL-HNNXBMFYSA-N 2 2 346.302 3.053 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001142590222 1378461936 /nfs/dbraw/zinc/46/19/36/1378461936.db2.gz MKOCFIHGGVNROL-HNNXBMFYSA-N 2 2 346.302 3.053 20 0 EGADLP c1cn2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028231 1378529287 /nfs/dbraw/zinc/52/92/87/1378529287.db2.gz XYHCMQWYSNUEJX-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028231 1378529290 /nfs/dbraw/zinc/52/92/90/1378529290.db2.gz XYHCMQWYSNUEJX-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028231 1378529298 /nfs/dbraw/zinc/52/92/98/1378529298.db2.gz XYHCMQWYSNUEJX-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1cn2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc2n1 ZINC001143028231 1378529305 /nfs/dbraw/zinc/52/93/05/1378529305.db2.gz XYHCMQWYSNUEJX-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP COc1cc(C)cc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1 ZINC001143164017 1378552167 /nfs/dbraw/zinc/55/21/67/1378552167.db2.gz RXTJOQGSWHOHLR-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001143310251 1378577838 /nfs/dbraw/zinc/57/78/38/1378577838.db2.gz ZDOAGINGARSPGM-UHFFFAOYSA-N 2 2 346.368 3.381 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-n4cccc4)cc3)CC2)c1 ZINC001144252784 1378705732 /nfs/dbraw/zinc/70/57/32/1378705732.db2.gz XCLYAKDKNTVKNO-UHFFFAOYSA-N 2 2 348.450 3.203 20 0 EGADLP O=C(NCC[NH2+]CCCC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458644 1378843640 /nfs/dbraw/zinc/84/36/40/1378843640.db2.gz NJQDLMQLBJKSHI-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC[C@@H]1CC1(Cl)Cl ZINC001327950714 1388631622 /nfs/dbraw/zinc/63/16/22/1388631622.db2.gz VLVAVVLMAPUPES-LLVKDONJSA-N 2 2 339.226 3.488 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115460 1380023352 /nfs/dbraw/zinc/02/33/52/1380023352.db2.gz ZPTQIILPWBEDHR-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115460 1380023357 /nfs/dbraw/zinc/02/33/57/1380023357.db2.gz ZPTQIILPWBEDHR-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CCC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154078215 1380199730 /nfs/dbraw/zinc/19/97/30/1380199730.db2.gz GYGYOKDGDMQRMC-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154078215 1380199731 /nfs/dbraw/zinc/19/97/31/1380199731.db2.gz GYGYOKDGDMQRMC-BTFXCVNISA-N 2 2 346.519 3.019 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083250 1380202104 /nfs/dbraw/zinc/20/21/04/1380202104.db2.gz NNROBUZLVFCKFM-RHSMWYFYSA-N 2 2 348.535 3.086 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083250 1380202109 /nfs/dbraw/zinc/20/21/09/1380202109.db2.gz NNROBUZLVFCKFM-RHSMWYFYSA-N 2 2 348.535 3.086 20 0 EGADLP CCC(CC)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083250 1380202111 /nfs/dbraw/zinc/20/21/11/1380202111.db2.gz NNROBUZLVFCKFM-RHSMWYFYSA-N 2 2 348.535 3.086 20 0 EGADLP CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083250 1380202113 /nfs/dbraw/zinc/20/21/13/1380202113.db2.gz NNROBUZLVFCKFM-RHSMWYFYSA-N 2 2 348.535 3.086 20 0 EGADLP CC/C=C\CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315113 1380253472 /nfs/dbraw/zinc/25/34/72/1380253472.db2.gz OCAKQKOUXOHMPX-MWWKQMNYSA-N 2 2 328.460 3.131 20 0 EGADLP CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154315113 1380253476 /nfs/dbraw/zinc/25/34/76/1380253476.db2.gz OCAKQKOUXOHMPX-MWWKQMNYSA-N 2 2 328.460 3.131 20 0 EGADLP Cc1nc2cc(Cl)ccc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057956 1380400066 /nfs/dbraw/zinc/40/00/66/1380400066.db2.gz PMRAQUBXZAKRHD-UHFFFAOYSA-N 2 2 327.819 3.244 20 0 EGADLP Cc1c(Cl)nc(C(C)(C)C)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064182 1380401512 /nfs/dbraw/zinc/40/15/12/1380401512.db2.gz NGQVYTZHVANTKA-UHFFFAOYSA-N 2 2 333.867 3.389 20 0 EGADLP Fc1ccc(Oc2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)n2)cc1 ZINC001155064843 1380401630 /nfs/dbraw/zinc/40/16/30/1380401630.db2.gz UXWXMHBRVDXUKM-UHFFFAOYSA-N 2 2 339.374 3.061 20 0 EGADLP CCCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155826070 1380495928 /nfs/dbraw/zinc/49/59/28/1380495928.db2.gz ZYSUTJWNCJTXPW-QGZVFWFLSA-N 2 2 344.503 3.202 20 0 EGADLP CCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001155826070 1380495929 /nfs/dbraw/zinc/49/59/29/1380495929.db2.gz ZYSUTJWNCJTXPW-QGZVFWFLSA-N 2 2 344.503 3.202 20 0 EGADLP C[NH+](C)C1(CNc2nccc3cccc(Cl)c32)CC[NH+](C)CC1 ZINC001156182340 1380537653 /nfs/dbraw/zinc/53/76/53/1380537653.db2.gz QJBZYEFGLPLIOS-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001328099610 1388671205 /nfs/dbraw/zinc/67/12/05/1388671205.db2.gz WZWCDGSCXRKZCH-GOSISDBHSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001328099610 1388671207 /nfs/dbraw/zinc/67/12/07/1388671207.db2.gz WZWCDGSCXRKZCH-GOSISDBHSA-N 2 2 348.535 3.006 20 0 EGADLP CC[N@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248574 1380823728 /nfs/dbraw/zinc/82/37/28/1380823728.db2.gz QPVDDUVJHQXGSL-ZWKOTPCHSA-N 2 2 336.524 3.172 20 0 EGADLP CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248574 1380823731 /nfs/dbraw/zinc/82/37/31/1380823731.db2.gz QPVDDUVJHQXGSL-ZWKOTPCHSA-N 2 2 336.524 3.172 20 0 EGADLP CC[N@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248631 1380823792 /nfs/dbraw/zinc/82/37/92/1380823792.db2.gz SYZJXFHCMYVMGV-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248631 1380823796 /nfs/dbraw/zinc/82/37/96/1380823796.db2.gz SYZJXFHCMYVMGV-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC001157265801 1380827991 /nfs/dbraw/zinc/82/79/91/1380827991.db2.gz XQQGDPXHWOBSIX-INIZCTEOSA-N 2 2 348.878 3.243 20 0 EGADLP C[NH+](C)Cc1nc(CSCCNc2cc3[nH]ccc3c[nH+]2)cs1 ZINC001157337228 1380844868 /nfs/dbraw/zinc/84/48/68/1380844868.db2.gz ZBLHFMZVKUECCE-UHFFFAOYSA-N 2 2 347.513 3.426 20 0 EGADLP CC(C)(C)CN(c1cc(N2CCCCC2)[nH+]cn1)C1CC[NH2+]CC1 ZINC001157891880 1381062232 /nfs/dbraw/zinc/06/22/32/1381062232.db2.gz WNFASMYQMDEDJL-UHFFFAOYSA-N 2 2 331.508 3.071 20 0 EGADLP CC(C)(C)CN(c1cc(N2CCCCC2)nc[nH+]1)C1CC[NH2+]CC1 ZINC001157891880 1381062236 /nfs/dbraw/zinc/06/22/36/1381062236.db2.gz WNFASMYQMDEDJL-UHFFFAOYSA-N 2 2 331.508 3.071 20 0 EGADLP CSc1cc[nH+]c(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001158166168 1381147383 /nfs/dbraw/zinc/14/73/83/1381147383.db2.gz BYFZFOGPDHVEPT-WKILWMFISA-N 2 2 328.485 3.475 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571379 1381303631 /nfs/dbraw/zinc/30/36/31/1381303631.db2.gz FXBRFAOOJZASFK-PKOBYXMFSA-N 2 2 348.535 3.482 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001158571379 1381303638 /nfs/dbraw/zinc/30/36/38/1381303638.db2.gz FXBRFAOOJZASFK-PKOBYXMFSA-N 2 2 348.535 3.482 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571379 1381303642 /nfs/dbraw/zinc/30/36/42/1381303642.db2.gz FXBRFAOOJZASFK-PKOBYXMFSA-N 2 2 348.535 3.482 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001158571379 1381303647 /nfs/dbraw/zinc/30/36/47/1381303647.db2.gz FXBRFAOOJZASFK-PKOBYXMFSA-N 2 2 348.535 3.482 20 0 EGADLP c1cc([NH+]2CCCCC2)ccc1Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC001159122750 1381618908 /nfs/dbraw/zinc/61/89/08/1381618908.db2.gz MWWGGAWDDSCZOJ-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP Clc1cc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cn2cc[nH+]c12 ZINC001159266205 1381747849 /nfs/dbraw/zinc/74/78/49/1381747849.db2.gz LGADWYSYXPTCIR-UHFFFAOYSA-N 2 2 341.846 3.137 20 0 EGADLP Fc1cccc(Nc2ccc[nH+]c2N2CCCC2)c1O[C@@H]1CC[NH2+]C1 ZINC001160181931 1382026709 /nfs/dbraw/zinc/02/67/09/1382026709.db2.gz GLCPQJCDJGMLNU-CQSZACIVSA-N 2 2 342.418 3.305 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160492104 1382122405 /nfs/dbraw/zinc/12/24/05/1382122405.db2.gz MLCJHMCGAYARBF-MRXNPFEDSA-N 2 2 346.519 3.111 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001160492104 1382122407 /nfs/dbraw/zinc/12/24/07/1382122407.db2.gz MLCJHMCGAYARBF-MRXNPFEDSA-N 2 2 346.519 3.111 20 0 EGADLP c1ccc([C@@H]2[C@H]3CC[C@H](C3)[C@@H]2Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001160508049 1382126698 /nfs/dbraw/zinc/12/66/98/1382126698.db2.gz CCXWIEBNLFPDKG-KKXYHZGYSA-N 2 2 348.494 3.485 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001292849935 1382220524 /nfs/dbraw/zinc/22/05/24/1382220524.db2.gz BXLVEMXKUZQYII-QGZVFWFLSA-N 2 2 340.471 3.063 20 0 EGADLP COc1ccc(C)[nH+]c1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161131902 1382312035 /nfs/dbraw/zinc/31/20/35/1382312035.db2.gz SWDUYXRWZXMTBJ-UHFFFAOYSA-N 2 2 327.428 3.181 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001161193655 1382336807 /nfs/dbraw/zinc/33/68/07/1382336807.db2.gz WILFWLMXKHQLQK-KRWDZBQOSA-N 2 2 338.455 3.357 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)c1 ZINC001161193655 1382336811 /nfs/dbraw/zinc/33/68/11/1382336811.db2.gz WILFWLMXKHQLQK-KRWDZBQOSA-N 2 2 338.455 3.357 20 0 EGADLP CCCCCCO[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001328647051 1388796802 /nfs/dbraw/zinc/79/68/02/1388796802.db2.gz ANNNLHPQAOETBS-CQSZACIVSA-N 2 2 330.432 3.500 20 0 EGADLP COc1cc[nH+]c(C(C)(C)CNc2ccc(C[NH+]3CCCC3)cn2)c1 ZINC001162131166 1382635319 /nfs/dbraw/zinc/63/53/19/1382635319.db2.gz UAEWNZFQOMFUIA-UHFFFAOYSA-N 2 2 340.471 3.471 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCc2cccs2)c(C)[nH+]1 ZINC001162917481 1382916110 /nfs/dbraw/zinc/91/61/10/1382916110.db2.gz KWNDDTOAYMGNGK-UHFFFAOYSA-N 2 2 331.485 3.021 20 0 EGADLP Cc1cc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]c2c1cccc2C(C)C ZINC001163073103 1382960353 /nfs/dbraw/zinc/96/03/53/1382960353.db2.gz INUISTFLGYYWCJ-QGZVFWFLSA-N 2 2 325.456 3.457 20 0 EGADLP C[NH+]1CCN(c2cccc(NC(C)(C)c3cc(Cl)ccn3)[nH+]2)CC1 ZINC001163144318 1382976378 /nfs/dbraw/zinc/97/63/78/1382976378.db2.gz UKGZCKBXMDBHAY-UHFFFAOYSA-N 2 2 345.878 3.229 20 0 EGADLP COCC[N@H+](C)[C@@H](CNc1[nH+]cc(C)cc1N)c1ccc(Cl)cc1 ZINC001163384943 1383037552 /nfs/dbraw/zinc/03/75/52/1383037552.db2.gz PUZJWHCFYDAOFY-KRWDZBQOSA-N 2 2 348.878 3.357 20 0 EGADLP COCC[N@@H+](C)[C@@H](CNc1[nH+]cc(C)cc1N)c1ccc(Cl)cc1 ZINC001163384943 1383037555 /nfs/dbraw/zinc/03/75/55/1383037555.db2.gz PUZJWHCFYDAOFY-KRWDZBQOSA-N 2 2 348.878 3.357 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001163474106 1383059582 /nfs/dbraw/zinc/05/95/82/1383059582.db2.gz ZHWFTOQBSUAVQF-UHFFFAOYSA-N 2 2 348.450 3.090 20 0 EGADLP O=C(NCCC[NH2+]CCC1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163479394 1383059955 /nfs/dbraw/zinc/05/99/55/1383059955.db2.gz MLRMEUFIFMEJGZ-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP CC(C)(C)C1CCC(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001163598665 1383086175 /nfs/dbraw/zinc/08/61/75/1383086175.db2.gz CPSLSIGTZSOPLR-UHFFFAOYSA-N 2 2 348.535 3.222 20 0 EGADLP CC(C)c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)nc(C(C)C)[nH+]1 ZINC001163645474 1383095291 /nfs/dbraw/zinc/09/52/91/1383095291.db2.gz WMHVZSQGVGCICK-QFBILLFUSA-N 2 2 332.492 3.437 20 0 EGADLP Cc1c(C)n(-c2ccc(Cn3cc[nH+]c3)cn2)c2ccc(C[NH3+])cc12 ZINC001163757039 1383118407 /nfs/dbraw/zinc/11/84/07/1383118407.db2.gz OOHVRIGOTCPDEI-UHFFFAOYSA-N 2 2 331.423 3.346 20 0 EGADLP Cc1nc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cc(C(C)C)[nH+]1 ZINC001165265391 1383262227 /nfs/dbraw/zinc/26/22/27/1383262227.db2.gz ROWKAHITEUDUKI-OAHLLOKOSA-N 2 2 342.409 3.419 20 0 EGADLP Cc1cc2cc[nH+]c(NCc3ccc(C[NH+]4CCOCC4)cc3)c2[nH]1 ZINC001165325780 1383273810 /nfs/dbraw/zinc/27/38/10/1383273810.db2.gz CPMRDXICLXBHOQ-UHFFFAOYSA-N 2 2 336.439 3.316 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001165637217 1383318620 /nfs/dbraw/zinc/31/86/20/1383318620.db2.gz IJNHIAKKPKPSCE-GOSISDBHSA-N 2 2 346.519 3.147 20 0 EGADLP CC(C)(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975642 1383784211 /nfs/dbraw/zinc/78/42/11/1383784211.db2.gz SVJNYVDXTGSMKP-IHWFROFDSA-N 3 2 333.564 3.492 20 0 EGADLP CC(C)(C)C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975642 1383784216 /nfs/dbraw/zinc/78/42/16/1383784216.db2.gz SVJNYVDXTGSMKP-IHWFROFDSA-N 3 2 333.564 3.492 20 0 EGADLP C[C@H]1CC([N@H+](C)Cc2cnn(C)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039334 1383802328 /nfs/dbraw/zinc/80/23/28/1383802328.db2.gz DJGNOOFHHWZIHJ-IRXDYDNUSA-N 2 2 326.488 3.294 20 0 EGADLP C[C@H]1CC([N@@H+](C)Cc2cnn(C)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039334 1383802332 /nfs/dbraw/zinc/80/23/32/1383802332.db2.gz DJGNOOFHHWZIHJ-IRXDYDNUSA-N 2 2 326.488 3.294 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039263 1383802570 /nfs/dbraw/zinc/80/25/70/1383802570.db2.gz CORSHCHCLZEEPI-IKVWTGGYSA-N 3 2 329.532 3.358 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168039263 1383802575 /nfs/dbraw/zinc/80/25/75/1383802575.db2.gz CORSHCHCLZEEPI-IKVWTGGYSA-N 3 2 329.532 3.358 20 0 EGADLP Cc1cc2sc(N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c(C)c1 ZINC001306963326 1383927150 /nfs/dbraw/zinc/92/71/50/1383927150.db2.gz VPKSQERJXNWZTA-HNNXBMFYSA-N 2 2 344.528 3.494 20 0 EGADLP Cc1cc2sc(N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2c(C)c1 ZINC001306963326 1383927152 /nfs/dbraw/zinc/92/71/52/1383927152.db2.gz VPKSQERJXNWZTA-HNNXBMFYSA-N 2 2 344.528 3.494 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168673074 1383965943 /nfs/dbraw/zinc/96/59/43/1383965943.db2.gz PZUJXNIBUINTJX-PKOBYXMFSA-N 2 2 329.444 3.134 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168673074 1383965947 /nfs/dbraw/zinc/96/59/47/1383965947.db2.gz PZUJXNIBUINTJX-PKOBYXMFSA-N 2 2 329.444 3.134 20 0 EGADLP Cc1cccc(C)c1C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001308112946 1384095356 /nfs/dbraw/zinc/09/53/56/1384095356.db2.gz KTQITUODJWLNLQ-FQEVSTJZSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C)c1C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001308112946 1384095362 /nfs/dbraw/zinc/09/53/62/1384095362.db2.gz KTQITUODJWLNLQ-FQEVSTJZSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001308112946 1384095368 /nfs/dbraw/zinc/09/53/68/1384095368.db2.gz KTQITUODJWLNLQ-FQEVSTJZSA-N 2 2 326.484 3.228 20 0 EGADLP Cc1cccc(C)c1C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001308112946 1384095374 /nfs/dbraw/zinc/09/53/74/1384095374.db2.gz KTQITUODJWLNLQ-FQEVSTJZSA-N 2 2 326.484 3.228 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001169082147 1384104167 /nfs/dbraw/zinc/10/41/67/1384104167.db2.gz YAZNYHOJOOFYJD-XYYAHUGASA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(Br)c1F)C2 ZINC001169082147 1384104168 /nfs/dbraw/zinc/10/41/68/1384104168.db2.gz YAZNYHOJOOFYJD-XYYAHUGASA-N 2 2 327.241 3.303 20 0 EGADLP Cc1nn2c(C[NH2+]C3CC[NH+](CC(C)C)CC3)c(C(C)C)nc2s1 ZINC001308193127 1384107776 /nfs/dbraw/zinc/10/77/76/1384107776.db2.gz PNDFOVHHZFEVKF-UHFFFAOYSA-N 2 2 349.548 3.433 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COc3cc(Br)ccc31)C2 ZINC001169115007 1384108636 /nfs/dbraw/zinc/10/86/36/1384108636.db2.gz GNGQUQYOXQYHCU-QVHKTLOISA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COc3cc(Br)ccc31)C2 ZINC001169115007 1384108638 /nfs/dbraw/zinc/10/86/38/1384108638.db2.gz GNGQUQYOXQYHCU-QVHKTLOISA-N 2 2 337.261 3.097 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001308208656 1384109282 /nfs/dbraw/zinc/10/92/82/1384109282.db2.gz RPCMCZIRDOCRNP-CYBMUJFWSA-N 2 2 326.868 3.179 20 0 EGADLP Clc1ccc2nc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cn2c1 ZINC001308301530 1384117911 /nfs/dbraw/zinc/11/79/11/1384117911.db2.gz ZQOHPLWWAJZXJU-UHFFFAOYSA-N 2 2 332.879 3.484 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321856 1384119084 /nfs/dbraw/zinc/11/90/84/1384119084.db2.gz IKPNCEXRZMMRRL-POAQFYNOSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321856 1384119086 /nfs/dbraw/zinc/11/90/86/1384119086.db2.gz IKPNCEXRZMMRRL-POAQFYNOSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321856 1384119088 /nfs/dbraw/zinc/11/90/88/1384119088.db2.gz IKPNCEXRZMMRRL-POAQFYNOSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321856 1384119090 /nfs/dbraw/zinc/11/90/90/1384119090.db2.gz IKPNCEXRZMMRRL-POAQFYNOSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383917 1384123250 /nfs/dbraw/zinc/12/32/50/1384123250.db2.gz APPGKYSTYQOPDI-QUCCMNQESA-N 2 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC[NH+]1CCCC(C)(C)C1 ZINC001308383917 1384123251 /nfs/dbraw/zinc/12/32/51/1384123251.db2.gz APPGKYSTYQOPDI-QUCCMNQESA-N 2 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC001308383917 1384123252 /nfs/dbraw/zinc/12/32/52/1384123252.db2.gz APPGKYSTYQOPDI-QUCCMNQESA-N 2 2 329.532 3.219 20 0 EGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC001308383917 1384123253 /nfs/dbraw/zinc/12/32/53/1384123253.db2.gz APPGKYSTYQOPDI-QUCCMNQESA-N 2 2 329.532 3.219 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001169261222 1384128821 /nfs/dbraw/zinc/12/88/21/1384128821.db2.gz FMRWHNFNGYOKPP-MJGOQNOKSA-N 2 2 330.472 3.097 20 0 EGADLP CC[NH+]1CCC([N@H+]2CC[C@@H](C(=O)OC)C[C@H]2c2ccccc2)CC1 ZINC001169261222 1384128823 /nfs/dbraw/zinc/12/88/23/1384128823.db2.gz FMRWHNFNGYOKPP-MJGOQNOKSA-N 2 2 330.472 3.097 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CC[NH+](CC)CC1 ZINC001169261445 1384129061 /nfs/dbraw/zinc/12/90/61/1384129061.db2.gz FXIKOQAMDHJQDO-QGZVFWFLSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CC[NH+](CC)CC1 ZINC001169261445 1384129063 /nfs/dbraw/zinc/12/90/63/1384129063.db2.gz FXIKOQAMDHJQDO-QGZVFWFLSA-N 2 2 339.524 3.192 20 0 EGADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169272943 1384130687 /nfs/dbraw/zinc/13/06/87/1384130687.db2.gz AWMDLHWFCYTLAT-IVMQYODDSA-N 2 2 330.472 3.229 20 0 EGADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2ncc(C(=O)OC)s2)CC1 ZINC001308605391 1384135844 /nfs/dbraw/zinc/13/58/44/1384135844.db2.gz ANTHADCGNGVSQW-ZDUSSCGKSA-N 2 2 339.505 3.045 20 0 EGADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(O[C@@H]2CCOC2)cc[nH+]1 ZINC001169689475 1384173811 /nfs/dbraw/zinc/17/38/11/1384173811.db2.gz JQVSXHDLDCSOLK-AEFFLSMTSA-N 2 2 339.439 3.489 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023067 1384220340 /nfs/dbraw/zinc/22/03/40/1384220340.db2.gz PYJIVFGIRJPECG-QGZVFWFLSA-N 2 2 342.487 3.264 20 0 EGADLP CC(C)CCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079314 1384230567 /nfs/dbraw/zinc/23/05/67/1384230567.db2.gz CJINSYLRPRETOF-SXLOBPIMSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079314 1384230572 /nfs/dbraw/zinc/23/05/72/1384230572.db2.gz CJINSYLRPRETOF-SXLOBPIMSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079314 1384230574 /nfs/dbraw/zinc/23/05/74/1384230574.db2.gz CJINSYLRPRETOF-SXLOBPIMSA-N 2 2 332.536 3.389 20 0 EGADLP CC(C)CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001170079314 1384230577 /nfs/dbraw/zinc/23/05/77/1384230577.db2.gz CJINSYLRPRETOF-SXLOBPIMSA-N 2 2 332.536 3.389 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]CC[NH+]2CCC(Cc3ccccc3)CC2)CCO1 ZINC001170164645 1384252926 /nfs/dbraw/zinc/25/29/26/1384252926.db2.gz MGERFMUCADZXTI-RTWAWAEBSA-N 2 2 330.516 3.488 20 0 EGADLP CC[C@@H]1CC([NH2+][C@@H](C)C[NH+](C)C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170460111 1384324817 /nfs/dbraw/zinc/32/48/17/1384324817.db2.gz BSOZLDLJHUPVPU-USXIJHARSA-N 2 2 341.540 3.483 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739159 1384375838 /nfs/dbraw/zinc/37/58/38/1384375838.db2.gz PDLQCZWXGXOYNE-OUUBHVDSSA-N 2 2 328.500 3.300 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170739159 1384375840 /nfs/dbraw/zinc/37/58/40/1384375840.db2.gz PDLQCZWXGXOYNE-OUUBHVDSSA-N 2 2 328.500 3.300 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151338 1384455330 /nfs/dbraw/zinc/45/53/30/1384455330.db2.gz HQTDVPOAVOCDMR-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151338 1384455331 /nfs/dbraw/zinc/45/53/31/1384455331.db2.gz HQTDVPOAVOCDMR-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151789 1384455447 /nfs/dbraw/zinc/45/54/47/1384455447.db2.gz KIDORUKXPVZTHF-SJORKVTESA-N 2 2 342.487 3.368 20 0 EGADLP C[C@H](CCCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151789 1384455449 /nfs/dbraw/zinc/45/54/49/1384455449.db2.gz KIDORUKXPVZTHF-SJORKVTESA-N 2 2 342.487 3.368 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(F)(F)F)C2)c(C)[nH+]1 ZINC001316636324 1384497785 /nfs/dbraw/zinc/49/77/85/1384497785.db2.gz OXFKPIOXNVPDAD-HDJSIYSDSA-N 2 2 343.393 3.057 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359745 1384501843 /nfs/dbraw/zinc/50/18/43/1384501843.db2.gz UKGZQKNFEWGCQI-ZPPHWLAZSA-N 2 2 332.492 3.134 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359745 1384501846 /nfs/dbraw/zinc/50/18/46/1384501846.db2.gz UKGZQKNFEWGCQI-ZPPHWLAZSA-N 2 2 332.492 3.134 20 0 EGADLP CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527439 1384551996 /nfs/dbraw/zinc/55/19/96/1384551996.db2.gz NNRJVHXUMGVZCR-DZGCQCFKSA-N 2 2 334.439 3.189 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001171604510 1384577015 /nfs/dbraw/zinc/57/70/15/1384577015.db2.gz IFTPLHSWDZPHNA-NVXWUHKLSA-N 2 2 346.519 3.054 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001171604510 1384577020 /nfs/dbraw/zinc/57/70/20/1384577020.db2.gz IFTPLHSWDZPHNA-NVXWUHKLSA-N 2 2 346.519 3.054 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975016 1384700462 /nfs/dbraw/zinc/70/04/62/1384700462.db2.gz KDQPTKUWJASYIF-PMACEKPBSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001171975016 1384700465 /nfs/dbraw/zinc/70/04/65/1384700465.db2.gz KDQPTKUWJASYIF-PMACEKPBSA-N 2 2 339.483 3.148 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@@H](F)C[C@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976250 1384700659 /nfs/dbraw/zinc/70/06/59/1384700659.db2.gz JOJBJYGXOWJWLC-GBESFXJTSA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([NH+]2C[C@@H](F)C[C@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976250 1384700662 /nfs/dbraw/zinc/70/06/62/1384700662.db2.gz JOJBJYGXOWJWLC-GBESFXJTSA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@@H+]2C[C@@H](F)C[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976250 1384700665 /nfs/dbraw/zinc/70/06/65/1384700665.db2.gz JOJBJYGXOWJWLC-GBESFXJTSA-N 2 2 334.479 3.082 20 0 EGADLP CC1(C)C[C@H]([N@H+]2C[C@@H](F)C[C@H](CO)C2)CC[NH+]1Cc1ccccc1 ZINC001171976250 1384700667 /nfs/dbraw/zinc/70/06/67/1384700667.db2.gz JOJBJYGXOWJWLC-GBESFXJTSA-N 2 2 334.479 3.082 20 0 EGADLP COc1nccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984413 1384703416 /nfs/dbraw/zinc/70/34/16/1384703416.db2.gz VOMVCCYAPRJZCC-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP COc1nccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171984413 1384703419 /nfs/dbraw/zinc/70/34/19/1384703419.db2.gz VOMVCCYAPRJZCC-KRWDZBQOSA-N 2 2 340.471 3.018 20 0 EGADLP Cc1ccccc1CN1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113418 1384731480 /nfs/dbraw/zinc/73/14/80/1384731480.db2.gz GZDPZETVINUTGO-XSDIEEQYSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1ccccc1CN1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113418 1384731482 /nfs/dbraw/zinc/73/14/82/1384731482.db2.gz GZDPZETVINUTGO-XSDIEEQYSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1ccccc1CN1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113415 1384731805 /nfs/dbraw/zinc/73/18/05/1384731805.db2.gz GZDPZETVINUTGO-BURNTYAHSA-N 2 2 327.516 3.174 20 0 EGADLP Cc1ccccc1CN1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113415 1384731808 /nfs/dbraw/zinc/73/18/08/1384731808.db2.gz GZDPZETVINUTGO-BURNTYAHSA-N 2 2 327.516 3.174 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120177 1384733595 /nfs/dbraw/zinc/73/35/95/1384733595.db2.gz ACFROAQBBSKNMR-NMLBUPMWSA-N 2 2 332.463 3.388 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120177 1384733597 /nfs/dbraw/zinc/73/35/97/1384733597.db2.gz ACFROAQBBSKNMR-NMLBUPMWSA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120177 1384733599 /nfs/dbraw/zinc/73/35/99/1384733599.db2.gz ACFROAQBBSKNMR-NMLBUPMWSA-N 2 2 332.463 3.388 20 0 EGADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@](C)(c3ccc(F)cc3)C1)C2 ZINC001172120177 1384733600 /nfs/dbraw/zinc/73/36/00/1384733600.db2.gz ACFROAQBBSKNMR-NMLBUPMWSA-N 2 2 332.463 3.388 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)co2)cc1 ZINC001172117547 1384733667 /nfs/dbraw/zinc/73/36/67/1384733667.db2.gz MFAFDYGAUGRTCU-XGWQRUHWSA-N 2 2 341.455 3.455 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)co2)cc1 ZINC001172117547 1384733670 /nfs/dbraw/zinc/73/36/70/1384733670.db2.gz MFAFDYGAUGRTCU-XGWQRUHWSA-N 2 2 341.455 3.455 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccncc2)CC1 ZINC001172243954 1384755030 /nfs/dbraw/zinc/75/50/30/1384755030.db2.gz JTSVBCCKSSFIKD-OAQYLSRUSA-N 2 2 339.483 3.262 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001172248588 1384755524 /nfs/dbraw/zinc/75/55/24/1384755524.db2.gz BKXJNMXYGCPYDK-UHFFFAOYSA-N 2 2 347.434 3.071 20 0 EGADLP COCCC[NH+]1CCC([NH2+]C([Si](C)(C)C)[Si](C)(C)C)CC1 ZINC001172247517 1384755859 /nfs/dbraw/zinc/75/58/59/1384755859.db2.gz KYTPCNDERGBRDR-UHFFFAOYSA-N 2 2 330.665 3.200 20 0 EGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1[nH+]ccn1C ZINC001173090252 1384912237 /nfs/dbraw/zinc/91/22/37/1384912237.db2.gz JJKDDIXNSPKCCV-LBPRGKRZSA-N 2 2 327.350 3.082 20 0 EGADLP COc1cccc2c1C[C@@H]([N@H+](C1CCCC1)C1CC[NH+](C)CC1)CO2 ZINC001173165440 1384928706 /nfs/dbraw/zinc/92/87/06/1384928706.db2.gz HGTATLMOYNAIQE-GOSISDBHSA-N 2 2 344.499 3.338 20 0 EGADLP COc1cccc2c1C[C@@H]([N@@H+](C1CCCC1)C1CC[NH+](C)CC1)CO2 ZINC001173165440 1384928708 /nfs/dbraw/zinc/92/87/08/1384928708.db2.gz HGTATLMOYNAIQE-GOSISDBHSA-N 2 2 344.499 3.338 20 0 EGADLP CCCC[C@@H](CC(C)C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC001173250385 1384945294 /nfs/dbraw/zinc/94/52/94/1384945294.db2.gz RFMMSTGVWUNDPU-HRCADAONSA-N 2 2 327.513 3.128 20 0 EGADLP CC(C)(C)OC(=O)NCc1cc(Nc2ccc3[nH+]ccn3c2)cc[nH+]1 ZINC001174279001 1385090061 /nfs/dbraw/zinc/09/00/61/1385090061.db2.gz UOHFPNFZDGKDHL-UHFFFAOYSA-N 2 2 339.399 3.498 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638679 1385359805 /nfs/dbraw/zinc/35/98/05/1385359805.db2.gz SFNMDFXPPPSXRN-IRXDYDNUSA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638679 1385359809 /nfs/dbraw/zinc/35/98/09/1385359809.db2.gz SFNMDFXPPPSXRN-IRXDYDNUSA-N 2 2 336.524 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175646209 1385362689 /nfs/dbraw/zinc/36/26/89/1385362689.db2.gz ZXWAPXCJHVKGRE-DLBZAZTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175646209 1385362694 /nfs/dbraw/zinc/36/26/94/1385362694.db2.gz ZXWAPXCJHVKGRE-DLBZAZTESA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175871875 1385426242 /nfs/dbraw/zinc/42/62/42/1385426242.db2.gz CYCPLFVZQKMVGF-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001175881872 1385429033 /nfs/dbraw/zinc/42/90/33/1385429033.db2.gz YTLSPIINQZDODM-DLBZAZTESA-N 2 2 342.487 3.286 20 0 EGADLP Cc1cn2cccc(Nc3ccc(CC[NH+]4CCOCC4)cc3)c2[nH+]1 ZINC001176379107 1385568715 /nfs/dbraw/zinc/56/87/15/1385568715.db2.gz NTWHOBSGNZGXIU-UHFFFAOYSA-N 2 2 336.439 3.261 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001317973149 1385593351 /nfs/dbraw/zinc/59/33/51/1385593351.db2.gz QRVKZHVDXWNXNP-RBUKOAKNSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1)n1cc[nH+]c1 ZINC001317973149 1385593354 /nfs/dbraw/zinc/59/33/54/1385593354.db2.gz QRVKZHVDXWNXNP-RBUKOAKNSA-N 2 2 346.519 3.241 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829991 1385716690 /nfs/dbraw/zinc/71/66/90/1385716690.db2.gz XGBJSGRUVYTUQE-ZWKOTPCHSA-N 2 2 342.487 3.217 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318530703 1385739488 /nfs/dbraw/zinc/73/94/88/1385739488.db2.gz QJUNUQJABRMRQZ-BBRMVZONSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318530703 1385739491 /nfs/dbraw/zinc/73/94/91/1385739491.db2.gz QJUNUQJABRMRQZ-BBRMVZONSA-N 2 2 348.878 3.241 20 0 EGADLP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001318543373 1385746983 /nfs/dbraw/zinc/74/69/83/1385746983.db2.gz WTDXEVDQJPTYNV-MRXNPFEDSA-N 2 2 340.402 3.000 20 0 EGADLP CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001177344959 1385922066 /nfs/dbraw/zinc/92/20/66/1385922066.db2.gz FFEUBJGPHSOILM-LJQANCHMSA-N 2 2 348.535 3.489 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC001177378992 1385935601 /nfs/dbraw/zinc/93/56/01/1385935601.db2.gz RBFGRGULHNSZJX-GOSISDBHSA-N 2 2 348.535 3.318 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177493453 1385978597 /nfs/dbraw/zinc/97/85/97/1385978597.db2.gz XNTZOKQGPHVNRR-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC001177510563 1385981995 /nfs/dbraw/zinc/98/19/95/1385981995.db2.gz IZMHLBRLMFHBFW-OALUTQOASA-N 2 2 346.515 3.314 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1cc(C)ccc1F ZINC001319383973 1386094553 /nfs/dbraw/zinc/09/45/53/1386094553.db2.gz PUQDHLZWNQBBOI-UHFFFAOYSA-N 2 2 340.358 3.041 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001319706085 1386261193 /nfs/dbraw/zinc/26/11/93/1386261193.db2.gz UYNOTYSPOOUGMI-UHFFFAOYSA-N 2 2 345.516 3.475 20 0 EGADLP CCC/C=C/CC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179175995 1386418042 /nfs/dbraw/zinc/41/80/42/1386418042.db2.gz GOMOEBJLCMVANA-SNAWJCMRSA-N 2 2 334.508 3.286 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001179517246 1386504266 /nfs/dbraw/zinc/50/42/66/1386504266.db2.gz NYBDXDJLRXEIPK-IFNLBANCSA-N 2 2 344.503 3.155 20 0 EGADLP CC(C)=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001179558165 1386513839 /nfs/dbraw/zinc/51/38/39/1386513839.db2.gz MIWCZTRSZMQKCQ-MRXNPFEDSA-N 2 2 332.492 3.062 20 0 EGADLP CC/C=C\CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179561751 1386515472 /nfs/dbraw/zinc/51/54/72/1386515472.db2.gz ZVXHILALORZNAY-LIMHQNJXSA-N 2 2 346.519 3.452 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001179621627 1386533897 /nfs/dbraw/zinc/53/38/97/1386533897.db2.gz BPHWGSLYBUCJLF-AOIWGVFYSA-N 2 2 346.519 3.384 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001179689452 1386554451 /nfs/dbraw/zinc/55/44/51/1386554451.db2.gz CBKRXMXWTLPEJU-ZWKOTPCHSA-N 2 2 348.535 3.435 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC001320228362 1386560911 /nfs/dbraw/zinc/56/09/11/1386560911.db2.gz SBOBJOPVYUVVIS-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC001320228362 1386560914 /nfs/dbraw/zinc/56/09/14/1386560914.db2.gz SBOBJOPVYUVVIS-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP C[NH+](C)C1(C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001180954075 1386907508 /nfs/dbraw/zinc/90/75/08/1386907508.db2.gz UCKYZEGTNWJFIH-GOSISDBHSA-N 2 2 339.524 3.098 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181902764 1387073479 /nfs/dbraw/zinc/07/34/79/1387073479.db2.gz AGWFJAHYFVNDCF-STXHMFSFSA-N 2 2 342.487 3.297 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001322159598 1387081462 /nfs/dbraw/zinc/08/14/62/1387081462.db2.gz YFBQCRVOUXOMMK-LAUBAEHRSA-N 2 2 344.418 3.418 20 0 EGADLP CC1CC[NH+](Cc2csc(NC(=O)c3cccc(C[NH3+])c3)n2)CC1 ZINC001329245364 1389034809 /nfs/dbraw/zinc/03/48/09/1389034809.db2.gz ZQERHEZAUOAGPE-UHFFFAOYSA-N 2 2 344.484 3.086 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001336754196 1389157058 /nfs/dbraw/zinc/15/70/58/1389157058.db2.gz CFACODZOGVAUIN-JKSUJKDBSA-N 2 2 339.842 3.414 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001336782186 1389167989 /nfs/dbraw/zinc/16/79/89/1389167989.db2.gz YFLCRWPLRJZGTD-ROUUACIJSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001336782186 1389167990 /nfs/dbraw/zinc/16/79/90/1389167990.db2.gz YFLCRWPLRJZGTD-ROUUACIJSA-N 2 2 333.451 3.069 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)ncc1Br ZINC001329710504 1389206364 /nfs/dbraw/zinc/20/63/64/1389206364.db2.gz LRVJJUDJQYDDMZ-TZMCWYRMSA-N 2 2 326.282 3.115 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332276213 1390073848 /nfs/dbraw/zinc/07/38/48/1390073848.db2.gz YLEBHMHKUDJYTO-SFTDATJTSA-N 2 2 343.515 3.271 20 0 EGADLP COc1cccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC001332276213 1390073856 /nfs/dbraw/zinc/07/38/56/1390073856.db2.gz YLEBHMHKUDJYTO-SFTDATJTSA-N 2 2 343.515 3.271 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001343355346 1390708910 /nfs/dbraw/zinc/70/89/10/1390708910.db2.gz YRGNGHIFWNHOGW-HOCLYGCPSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC001343355346 1390708911 /nfs/dbraw/zinc/70/89/11/1390708911.db2.gz YRGNGHIFWNHOGW-HOCLYGCPSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001343355346 1390708912 /nfs/dbraw/zinc/70/89/12/1390708912.db2.gz YRGNGHIFWNHOGW-HOCLYGCPSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC001343355346 1390708913 /nfs/dbraw/zinc/70/89/13/1390708913.db2.gz YRGNGHIFWNHOGW-HOCLYGCPSA-N 2 2 336.549 3.214 20 0 EGADLP Cn1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961800 1391725157 /nfs/dbraw/zinc/72/51/57/1391725157.db2.gz TYMVAEFKTCCOES-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961800 1391725161 /nfs/dbraw/zinc/72/51/61/1391725161.db2.gz TYMVAEFKTCCOES-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961800 1391725166 /nfs/dbraw/zinc/72/51/66/1391725166.db2.gz TYMVAEFKTCCOES-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001351961800 1391725170 /nfs/dbraw/zinc/72/51/70/1391725170.db2.gz TYMVAEFKTCCOES-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001480162214 1392605721 /nfs/dbraw/zinc/60/57/21/1392605721.db2.gz MTEFPIFINXIYGV-SZMVWBNQSA-N 2 2 332.492 3.041 20 0 EGADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001480767268 1392921127 /nfs/dbraw/zinc/92/11/27/1392921127.db2.gz JBOTXJPBYYOVQP-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001480767268 1392921130 /nfs/dbraw/zinc/92/11/30/1392921130.db2.gz JBOTXJPBYYOVQP-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490434795 1394231057 /nfs/dbraw/zinc/23/10/57/1394231057.db2.gz BNSHGPDKWUYVLL-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001490434795 1394231061 /nfs/dbraw/zinc/23/10/61/1394231061.db2.gz BNSHGPDKWUYVLL-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001481408320 1394264308 /nfs/dbraw/zinc/26/43/08/1394264308.db2.gz OSFYEVHRQHIGNY-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481408320 1394264309 /nfs/dbraw/zinc/26/43/09/1394264309.db2.gz OSFYEVHRQHIGNY-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP Cc1[nH+]ccn1CCCC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001481589404 1394415574 /nfs/dbraw/zinc/41/55/74/1394415574.db2.gz SSOGWDZLSIPRIQ-UHFFFAOYSA-N 2 2 346.519 3.133 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCC2CCCCCC2)CCCC1 ZINC001482234420 1394829525 /nfs/dbraw/zinc/82/95/25/1394829525.db2.gz XFEAOKHXPUMQNK-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001482494686 1395046957 /nfs/dbraw/zinc/04/69/57/1395046957.db2.gz OUGHPKGZJVGUAO-SJLPKXTDSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001482544473 1395081100 /nfs/dbraw/zinc/08/11/00/1395081100.db2.gz FXIRAFUQDILJLP-MJGOQNOKSA-N 2 2 342.487 3.073 20 0 EGADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCCC2CCCC2)C1 ZINC001484075139 1395236105 /nfs/dbraw/zinc/23/61/05/1395236105.db2.gz VRZPDCQKFPFPBA-HXUWFJFHSA-N 2 2 346.519 3.214 20 0 EGADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCCC2CCCC2)C1 ZINC001484075139 1395236110 /nfs/dbraw/zinc/23/61/10/1395236110.db2.gz VRZPDCQKFPFPBA-HXUWFJFHSA-N 2 2 346.519 3.214 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001699026008 1406861684 /nfs/dbraw/zinc/86/16/84/1406861684.db2.gz BODGYYFXKCZYQI-IAGOWNOFSA-N 2 2 342.487 3.259 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193205 1404399669 /nfs/dbraw/zinc/39/96/69/1404399669.db2.gz XEDKYNGCRUUPCU-MOPGFXCFSA-N 2 2 348.535 3.126 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001690193205 1404399675 /nfs/dbraw/zinc/39/96/75/1404399675.db2.gz XEDKYNGCRUUPCU-MOPGFXCFSA-N 2 2 348.535 3.126 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690197128 1404405862 /nfs/dbraw/zinc/40/58/62/1404405862.db2.gz HCFOWRWYPCZCLG-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690197128 1404405866 /nfs/dbraw/zinc/40/58/66/1404405866.db2.gz HCFOWRWYPCZCLG-GOSISDBHSA-N 2 2 346.519 3.093 20 0 EGADLP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001699413245 1412726798 /nfs/dbraw/zinc/72/67/98/1412726798.db2.gz GRXXGRKAMLPJCG-INIZCTEOSA-N 2 2 339.483 3.477 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465467 1412832541 /nfs/dbraw/zinc/83/25/41/1412832541.db2.gz ZFXGLSGNXUBHNB-JKSUJKDBSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001699465467 1412832546 /nfs/dbraw/zinc/83/25/46/1412832546.db2.gz ZFXGLSGNXUBHNB-JKSUJKDBSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001700995376 1414643186 /nfs/dbraw/zinc/64/31/86/1414643186.db2.gz PCWDIVPSJFSDHM-WBVHZDCISA-N 2 2 342.487 3.142 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001713065198 1417622772 /nfs/dbraw/zinc/62/27/72/1417622772.db2.gz HQSPTLYXVXFPPT-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC001713065198 1417622774 /nfs/dbraw/zinc/62/27/74/1417622774.db2.gz HQSPTLYXVXFPPT-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC001713169588 1417742665 /nfs/dbraw/zinc/74/26/65/1417742665.db2.gz IXGQBJZPMDMYCL-UKBAYJJMSA-N 2 2 340.471 3.141 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001713311758 1417935733 /nfs/dbraw/zinc/93/57/33/1417935733.db2.gz XPNFRKQFBPQNLM-LSDHHAIUSA-N 2 2 330.476 3.033 20 0 EGADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001713413863 1418037492 /nfs/dbraw/zinc/03/74/92/1418037492.db2.gz INQDBOFBPFAEAR-HUUCEWRRSA-N 2 2 348.878 3.172 20 0 EGADLP CCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H]1CCCO1 ZINC001713548748 1418323459 /nfs/dbraw/zinc/32/34/59/1418323459.db2.gz UHCXSATUNOIFFW-GOSISDBHSA-N 2 2 347.503 3.018 20 0 EGADLP CCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC[C@H]1CCCO1 ZINC001713548748 1418323463 /nfs/dbraw/zinc/32/34/63/1418323463.db2.gz UHCXSATUNOIFFW-GOSISDBHSA-N 2 2 347.503 3.018 20 0 EGADLP CC[C@@H](C(=O)NC1C[NH+]([C@H](C)c2ccc3ccccc3c2)C1)[NH+](C)C ZINC001713839831 1418637056 /nfs/dbraw/zinc/63/70/56/1418637056.db2.gz KLRSDAOOIRXHEV-QRWLVFNGSA-N 2 2 339.483 3.041 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714547246 1419274243 /nfs/dbraw/zinc/27/42/43/1419274243.db2.gz BTWZUZMDZIFUMQ-ZDUSSCGKSA-N 2 2 340.402 3.125 20 0 EGADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001714547246 1419274246 /nfs/dbraw/zinc/27/42/46/1419274246.db2.gz BTWZUZMDZIFUMQ-ZDUSSCGKSA-N 2 2 340.402 3.125 20 0 EGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)Cc1ccccc1 ZINC001714589138 1419335757 /nfs/dbraw/zinc/33/57/57/1419335757.db2.gz NPDAAOLAMYAMRA-UHFFFAOYSA-N 2 2 325.456 3.259 20 0 EGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)Cc1ccccc1 ZINC001714589138 1419335759 /nfs/dbraw/zinc/33/57/59/1419335759.db2.gz NPDAAOLAMYAMRA-UHFFFAOYSA-N 2 2 325.456 3.259 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1ccccc1C ZINC001714593033 1419341541 /nfs/dbraw/zinc/34/15/41/1419341541.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H](C)c1ccccc1C ZINC001714593033 1419341544 /nfs/dbraw/zinc/34/15/44/1419341544.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1ccccc1C ZINC001714593033 1419341547 /nfs/dbraw/zinc/34/15/47/1419341547.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H](C)c1ccccc1C ZINC001714593033 1419341550 /nfs/dbraw/zinc/34/15/50/1419341550.db2.gz CYBKVFFCQKAMKI-DLBZAZTESA-N 2 2 342.487 3.096 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001714866090 1419592747 /nfs/dbraw/zinc/59/27/47/1419592747.db2.gz HHMFBCMOGWQMTG-LJQANCHMSA-N 2 2 340.471 3.207 20 0 EGADLP CCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001714866090 1419592749 /nfs/dbraw/zinc/59/27/49/1419592749.db2.gz HHMFBCMOGWQMTG-LJQANCHMSA-N 2 2 340.471 3.207 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213006 1419944996 /nfs/dbraw/zinc/94/49/96/1419944996.db2.gz TYSDZNYNRBRCJT-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001715213006 1419944998 /nfs/dbraw/zinc/94/49/98/1419944998.db2.gz TYSDZNYNRBRCJT-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001715531973 1420223327 /nfs/dbraw/zinc/22/33/27/1420223327.db2.gz KKWSOPHUFFVTMO-MRXNPFEDSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001715531973 1420223329 /nfs/dbraw/zinc/22/33/29/1420223329.db2.gz KKWSOPHUFFVTMO-MRXNPFEDSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001715531973 1420223332 /nfs/dbraw/zinc/22/33/32/1420223332.db2.gz KKWSOPHUFFVTMO-MRXNPFEDSA-N 2 2 348.535 3.195 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001715531973 1420223335 /nfs/dbraw/zinc/22/33/35/1420223335.db2.gz KKWSOPHUFFVTMO-MRXNPFEDSA-N 2 2 348.535 3.195 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C)c1ccc(Cl)cc1 ZINC001715957469 1420423481 /nfs/dbraw/zinc/42/34/81/1420423481.db2.gz LVBSEZNXOSMTRH-MLGOLLRUSA-N 2 2 348.878 3.160 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001715978867 1420438436 /nfs/dbraw/zinc/43/84/36/1420438436.db2.gz WPTHLSIVJINROT-MRXNPFEDSA-N 2 2 342.487 3.227 20 0 EGADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001715978867 1420438439 /nfs/dbraw/zinc/43/84/39/1420438439.db2.gz WPTHLSIVJINROT-MRXNPFEDSA-N 2 2 342.487 3.227 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001716062414 1420522601 /nfs/dbraw/zinc/52/26/01/1420522601.db2.gz VBLOVRKJQKJBAC-MJGOQNOKSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001716062414 1420522604 /nfs/dbraw/zinc/52/26/04/1420522604.db2.gz VBLOVRKJQKJBAC-MJGOQNOKSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212930 1421187774 /nfs/dbraw/zinc/18/77/74/1421187774.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212930 1421187776 /nfs/dbraw/zinc/18/77/76/1421187776.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)CC1CCCCCC1 ZINC001717212930 1421187778 /nfs/dbraw/zinc/18/77/78/1421187778.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)CC1CCCCCC1 ZINC001717212930 1421187780 /nfs/dbraw/zinc/18/77/80/1421187780.db2.gz SFRNCRVGMHVZLR-QGZVFWFLSA-N 2 2 348.535 3.339 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001725176409 1425693655 /nfs/dbraw/zinc/69/36/55/1425693655.db2.gz PDBHJQDPLPDKEP-CVEARBPZSA-N 2 2 336.439 3.146 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001725176409 1425693656 /nfs/dbraw/zinc/69/36/56/1425693656.db2.gz PDBHJQDPLPDKEP-CVEARBPZSA-N 2 2 336.439 3.146 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456585 1438114157 /nfs/dbraw/zinc/11/41/57/1438114157.db2.gz HHICLBOWYUSKFC-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456585 1438114159 /nfs/dbraw/zinc/11/41/59/1438114159.db2.gz HHICLBOWYUSKFC-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CC1CCCCCC1 ZINC001734456585 1438114162 /nfs/dbraw/zinc/11/41/62/1438114162.db2.gz HHICLBOWYUSKFC-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CC1CCCCCC1 ZINC001734456585 1438114165 /nfs/dbraw/zinc/11/41/65/1438114165.db2.gz HHICLBOWYUSKFC-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752330192 1440171161 /nfs/dbraw/zinc/17/11/61/1440171161.db2.gz GTOLHLFIXLWRLF-VGRIIWOTSA-N 2 2 332.492 3.161 20 0 EGADLP CCC/C=C/CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752330192 1440171162 /nfs/dbraw/zinc/17/11/62/1440171162.db2.gz GTOLHLFIXLWRLF-VGRIIWOTSA-N 2 2 332.492 3.161 20 0 EGADLP O=C(NC[C@H]([NH2+]CC1CCCCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001752468650 1440184106 /nfs/dbraw/zinc/18/41/06/1440184106.db2.gz KZPGSUYTSMPNGS-IBGZPJMESA-N 2 2 340.471 3.241 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001752691837 1440200527 /nfs/dbraw/zinc/20/05/27/1440200527.db2.gz MJJADROHHAREPM-FHWLQOOXSA-N 2 2 340.471 3.051 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992452 1440259883 /nfs/dbraw/zinc/25/98/83/1440259883.db2.gz MMGBQEBQQCHLOJ-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1)n1cc[nH+]c1 ZINC001752992452 1440259884 /nfs/dbraw/zinc/25/98/84/1440259884.db2.gz MMGBQEBQQCHLOJ-MOPGFXCFSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC001753014318 1440267864 /nfs/dbraw/zinc/26/78/64/1440267864.db2.gz JTXRDRLAWVXIGQ-SJORKVTESA-N 2 2 334.508 3.289 20 0 EGADLP Cc1cc(Cl)ccc1C[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753068118 1440286533 /nfs/dbraw/zinc/28/65/33/1440286533.db2.gz RHMLFKQNFYQVDL-HNNXBMFYSA-N 2 2 348.878 3.044 20 0 EGADLP Cc1cc(Cl)ccc1C[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753068118 1440286534 /nfs/dbraw/zinc/28/65/34/1440286534.db2.gz RHMLFKQNFYQVDL-HNNXBMFYSA-N 2 2 348.878 3.044 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001753075190 1440291109 /nfs/dbraw/zinc/29/11/09/1440291109.db2.gz OKFWWNBEHIEURE-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001753075190 1440291110 /nfs/dbraw/zinc/29/11/10/1440291110.db2.gz OKFWWNBEHIEURE-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113777 1440309999 /nfs/dbraw/zinc/30/99/99/1440309999.db2.gz SBTHUTFJWREWJX-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CCC1CCCCC1)n1cc[nH+]c1 ZINC001753113777 1440310000 /nfs/dbraw/zinc/31/00/00/1440310000.db2.gz SBTHUTFJWREWJX-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753201727 1440338346 /nfs/dbraw/zinc/33/83/46/1440338346.db2.gz JFGTXJBDVICNEH-HNNXBMFYSA-N 2 2 336.439 3.294 20 0 EGADLP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366937 1440385568 /nfs/dbraw/zinc/38/55/68/1440385568.db2.gz QFMJXWLCZWLODZ-FUTAKVPZSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001753366937 1440385569 /nfs/dbraw/zinc/38/55/69/1440385569.db2.gz QFMJXWLCZWLODZ-FUTAKVPZSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366937 1440385570 /nfs/dbraw/zinc/38/55/70/1440385570.db2.gz QFMJXWLCZWLODZ-FUTAKVPZSA-N 2 2 346.519 3.115 20 0 EGADLP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001753366937 1440385571 /nfs/dbraw/zinc/38/55/71/1440385571.db2.gz QFMJXWLCZWLODZ-FUTAKVPZSA-N 2 2 346.519 3.115 20 0 EGADLP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001753583704 1440440795 /nfs/dbraw/zinc/44/07/95/1440440795.db2.gz AKXDYUNCPIKEGJ-WKILWMFISA-N 2 2 328.460 3.155 20 0 EGADLP CC(C)(C)CC[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC001753747353 1440481502 /nfs/dbraw/zinc/48/15/02/1440481502.db2.gz OREVTOMSINCEPK-SFHVURJKSA-N 2 2 348.535 3.364 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001753766899 1440484824 /nfs/dbraw/zinc/48/48/24/1440484824.db2.gz LJAZAQCTXZXGDB-YJBOKZPZSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753864751 1440513544 /nfs/dbraw/zinc/51/35/44/1440513544.db2.gz VJNATYIXHLAZEG-AWEZNQCLSA-N 2 2 348.516 3.103 20 0 EGADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001753864751 1440513545 /nfs/dbraw/zinc/51/35/45/1440513545.db2.gz VJNATYIXHLAZEG-AWEZNQCLSA-N 2 2 348.516 3.103 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001754344062 1440589450 /nfs/dbraw/zinc/58/94/50/1440589450.db2.gz DRJQPHZAHPDMNX-MJGOQNOKSA-N 2 2 346.519 3.187 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001754344062 1440589451 /nfs/dbraw/zinc/58/94/51/1440589451.db2.gz DRJQPHZAHPDMNX-MJGOQNOKSA-N 2 2 346.519 3.187 20 0 EGADLP CC(C)C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754552701 1440630296 /nfs/dbraw/zinc/63/02/96/1440630296.db2.gz LPPXJSQPUCJMQJ-OTWHNJEPSA-N 2 2 346.519 3.192 20 0 EGADLP CC(C)C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C)n1cc[nH+]c1 ZINC001754552701 1440630297 /nfs/dbraw/zinc/63/02/97/1440630297.db2.gz LPPXJSQPUCJMQJ-OTWHNJEPSA-N 2 2 346.519 3.192 20 0 EGADLP CC[C@@H](F)C[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754700256 1440667905 /nfs/dbraw/zinc/66/79/05/1440667905.db2.gz CRKRFOFWEIZQQL-VQIMIIECSA-N 2 2 335.467 3.197 20 0 EGADLP CC[C@H](F)C[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754923029 1440709561 /nfs/dbraw/zinc/70/95/61/1440709561.db2.gz DWMUNUKXNSPPGM-SJORKVTESA-N 2 2 335.467 3.197 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001755033753 1440732989 /nfs/dbraw/zinc/73/29/89/1440732989.db2.gz DNKZZXYPOZJVFA-LJQANCHMSA-N 2 2 344.503 3.134 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001755033753 1440732990 /nfs/dbraw/zinc/73/29/90/1440732990.db2.gz DNKZZXYPOZJVFA-LJQANCHMSA-N 2 2 344.503 3.134 20 0 EGADLP CC/C=C\CC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001755214032 1440783650 /nfs/dbraw/zinc/78/36/50/1440783650.db2.gz FNJZFNCEWOFQTI-SREVYHEPSA-N 2 2 329.488 3.461 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001755239738 1440789322 /nfs/dbraw/zinc/78/93/22/1440789322.db2.gz GQUAPKBIKXIIDQ-IRXDYDNUSA-N 2 2 348.535 3.380 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC001755309404 1440812656 /nfs/dbraw/zinc/81/26/56/1440812656.db2.gz ZJHVGYIGHUOMBR-MRXNPFEDSA-N 2 2 325.456 3.257 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)[nH+]1 ZINC001755309404 1440812657 /nfs/dbraw/zinc/81/26/57/1440812657.db2.gz ZJHVGYIGHUOMBR-MRXNPFEDSA-N 2 2 325.456 3.257 20 0 EGADLP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001755382456 1440839830 /nfs/dbraw/zinc/83/98/30/1440839830.db2.gz OMJLZEFLNGKDPJ-JFDDCEBESA-N 2 2 340.471 3.131 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001755614806 1440888449 /nfs/dbraw/zinc/88/84/49/1440888449.db2.gz SBOMAVIBEDOTTC-OLZOCXBDSA-N 2 2 348.878 3.112 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001755705006 1440902359 /nfs/dbraw/zinc/90/23/59/1440902359.db2.gz SVRPAPDOLJXMAX-UYAOXDASSA-N 2 2 346.519 3.213 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001755705006 1440902360 /nfs/dbraw/zinc/90/23/60/1440902360.db2.gz SVRPAPDOLJXMAX-UYAOXDASSA-N 2 2 346.519 3.213 20 0 EGADLP CCCCCC[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755889143 1440940974 /nfs/dbraw/zinc/94/09/74/1440940974.db2.gz YCBJEDZIGVTDIY-UHFFFAOYSA-N 2 2 346.519 3.255 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001755889143 1440940975 /nfs/dbraw/zinc/94/09/75/1440940975.db2.gz YCBJEDZIGVTDIY-UHFFFAOYSA-N 2 2 346.519 3.255 20 0 EGADLP Cc1cccn2c(C[NH2+][C@@H](C)[C@H]3OCCc4sccc43)c[nH+]c12 ZINC000368371482 168347957 /nfs/dbraw/zinc/34/79/57/168347957.db2.gz WFAHAAHBPDSGJR-SUMWQHHRSA-N 2 2 327.453 3.496 20 0 EGADLP Cn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C2CCCCC2)n1 ZINC000368496975 168364634 /nfs/dbraw/zinc/36/46/34/168364634.db2.gz UICRMRNQXCCGSF-UHFFFAOYSA-N 2 2 327.476 3.290 20 0 EGADLP CC[C@H](C)[N@H+](CCC[NH+](CC)CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191812484 529693831 /nfs/dbraw/zinc/69/38/31/529693831.db2.gz WCJWSESEQJPDJG-INIZCTEOSA-N 2 2 344.503 3.256 20 0 EGADLP CC[C@H](C)[N@@H+](CCC[NH+](CC)CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000191812484 529693833 /nfs/dbraw/zinc/69/38/33/529693833.db2.gz WCJWSESEQJPDJG-INIZCTEOSA-N 2 2 344.503 3.256 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000339406318 282247901 /nfs/dbraw/zinc/24/79/01/282247901.db2.gz FSZDYIZQLRJGBO-UHFFFAOYSA-N 2 2 349.482 3.235 20 0 EGADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000339406318 282247906 /nfs/dbraw/zinc/24/79/06/282247906.db2.gz FSZDYIZQLRJGBO-UHFFFAOYSA-N 2 2 349.482 3.235 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281808 530059029 /nfs/dbraw/zinc/05/90/29/530059029.db2.gz AXPSSWLTARSOQC-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281808 530059030 /nfs/dbraw/zinc/05/90/30/530059030.db2.gz AXPSSWLTARSOQC-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281808 530059031 /nfs/dbraw/zinc/05/90/31/530059031.db2.gz AXPSSWLTARSOQC-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4F)n3)CC[C@@H]21 ZINC000190281808 530059032 /nfs/dbraw/zinc/05/90/32/530059032.db2.gz AXPSSWLTARSOQC-KDOFPFPSSA-N 2 2 346.425 3.067 20 0 EGADLP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)s1 ZINC000178412768 232159391 /nfs/dbraw/zinc/15/93/91/232159391.db2.gz NTOGDPYLCPFPBE-LLVKDONJSA-N 2 2 327.457 3.500 20 0 EGADLP COCOc1ccc(OC)cc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000184335369 235370019 /nfs/dbraw/zinc/37/00/19/235370019.db2.gz HJJLULFGDDEQRK-INIZCTEOSA-N 2 2 336.476 3.032 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993518 236089007 /nfs/dbraw/zinc/08/90/07/236089007.db2.gz NNYXUFFEITUUOK-GHMZBOCLSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993518 236089009 /nfs/dbraw/zinc/08/90/09/236089009.db2.gz NNYXUFFEITUUOK-GHMZBOCLSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993504 236089445 /nfs/dbraw/zinc/08/94/45/236089445.db2.gz NNYXUFFEITUUOK-WDEREUQCSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)cc1F ZINC000186993504 236089448 /nfs/dbraw/zinc/08/94/48/236089448.db2.gz NNYXUFFEITUUOK-WDEREUQCSA-N 2 2 342.256 3.118 20 0 EGADLP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129751406 223087687 /nfs/dbraw/zinc/08/76/87/223087687.db2.gz SDUXYFPGLNYEDH-BXWFABGCSA-N 2 2 336.443 3.108 20 0 EGADLP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129751406 223087690 /nfs/dbraw/zinc/08/76/90/223087690.db2.gz SDUXYFPGLNYEDH-BXWFABGCSA-N 2 2 336.443 3.108 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837577 239328956 /nfs/dbraw/zinc/32/89/56/239328956.db2.gz TXLCLIPCDBQXNN-NQIIRXRSSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000191837577 239328965 /nfs/dbraw/zinc/32/89/65/239328965.db2.gz TXLCLIPCDBQXNN-NQIIRXRSSA-N 2 2 339.483 3.332 20 0 EGADLP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230319785 242257935 /nfs/dbraw/zinc/25/79/35/242257935.db2.gz CYYVMSRATVIMRC-SNVBAGLBSA-N 2 2 333.220 3.288 20 0 EGADLP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(F)ccc(Br)c2F)C1 ZINC000230319785 242257940 /nfs/dbraw/zinc/25/79/40/242257940.db2.gz CYYVMSRATVIMRC-SNVBAGLBSA-N 2 2 333.220 3.288 20 0 EGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000262625286 245073633 /nfs/dbraw/zinc/07/36/33/245073633.db2.gz BGVBXTHXADGJNP-INIZCTEOSA-N 2 2 334.423 3.339 20 0 EGADLP C[C@@H]([NH3+])CCC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1 ZINC000262889347 245233556 /nfs/dbraw/zinc/23/35/56/245233556.db2.gz WRWUJNMZKHYMPN-GFCCVEGCSA-N 2 2 340.402 3.359 20 0 EGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000266020074 248035892 /nfs/dbraw/zinc/03/58/92/248035892.db2.gz WJLDROGNADMLIT-OAHLLOKOSA-N 2 2 337.427 3.255 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000266120798 248111008 /nfs/dbraw/zinc/11/10/08/248111008.db2.gz IUHOLROOBHCRPK-HNNXBMFYSA-N 2 2 325.456 3.241 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000377700503 169063666 /nfs/dbraw/zinc/06/36/66/169063666.db2.gz NKCWPCCEIHEDDH-UHFFFAOYSA-N 2 2 333.439 3.138 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)CCC3CC[NH2+]CC3)c2)[nH+]c1C ZINC000378331653 169102158 /nfs/dbraw/zinc/10/21/58/169102158.db2.gz UGQNOYJYGIFNDE-UHFFFAOYSA-N 2 2 326.444 3.412 20 0 EGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC2(CCOCC2)C1 ZINC000091895681 218085923 /nfs/dbraw/zinc/08/59/23/218085923.db2.gz WDCVAWXOHBVBFJ-UHFFFAOYSA-N 2 2 346.515 3.026 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC2(CCOCC2)C1 ZINC000091895681 218085924 /nfs/dbraw/zinc/08/59/24/218085924.db2.gz WDCVAWXOHBVBFJ-UHFFFAOYSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000091895681 218085926 /nfs/dbraw/zinc/08/59/26/218085926.db2.gz WDCVAWXOHBVBFJ-UHFFFAOYSA-N 2 2 346.515 3.026 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000091895681 218085927 /nfs/dbraw/zinc/08/59/27/218085927.db2.gz WDCVAWXOHBVBFJ-UHFFFAOYSA-N 2 2 346.515 3.026 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000092043179 218109088 /nfs/dbraw/zinc/10/90/88/218109088.db2.gz IXCGMTRWRSMMBF-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OC(F)F)c1 ZINC000092043179 218109092 /nfs/dbraw/zinc/10/90/92/218109092.db2.gz IXCGMTRWRSMMBF-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(OC(F)F)c1 ZINC000092043179 218109094 /nfs/dbraw/zinc/10/90/94/218109094.db2.gz IXCGMTRWRSMMBF-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(OC(F)F)c1 ZINC000092043179 218109097 /nfs/dbraw/zinc/10/90/97/218109097.db2.gz IXCGMTRWRSMMBF-CJNGLKHVSA-N 2 2 340.414 3.213 20 0 EGADLP COCOc1ccc(OC)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564045 218233515 /nfs/dbraw/zinc/23/35/15/218233515.db2.gz YUIOUBCKRCBNMJ-GOSISDBHSA-N 2 2 348.487 3.128 20 0 EGADLP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564045 218233518 /nfs/dbraw/zinc/23/35/18/218233518.db2.gz YUIOUBCKRCBNMJ-GOSISDBHSA-N 2 2 348.487 3.128 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742023 218245407 /nfs/dbraw/zinc/24/54/07/218245407.db2.gz CQASUAXRSXYKHE-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742023 218245410 /nfs/dbraw/zinc/24/54/10/218245410.db2.gz CQASUAXRSXYKHE-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742023 218245412 /nfs/dbraw/zinc/24/54/12/218245412.db2.gz CQASUAXRSXYKHE-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000093742023 218245415 /nfs/dbraw/zinc/24/54/15/218245415.db2.gz CQASUAXRSXYKHE-AWEZNQCLSA-N 2 2 342.430 3.460 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474140 251091072 /nfs/dbraw/zinc/09/10/72/251091072.db2.gz YTNNZXMEIBDVNW-KBPBESRZSA-N 2 2 330.407 3.064 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267474140 251091078 /nfs/dbraw/zinc/09/10/78/251091078.db2.gz YTNNZXMEIBDVNW-KBPBESRZSA-N 2 2 330.407 3.064 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1nnc2ccccn21 ZINC000268732271 252182054 /nfs/dbraw/zinc/18/20/54/252182054.db2.gz MTNSAZXBXLISJV-AOIWGVFYSA-N 2 2 349.482 3.433 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nnc2ccccn21 ZINC000268732271 252182058 /nfs/dbraw/zinc/18/20/58/252182058.db2.gz MTNSAZXBXLISJV-AOIWGVFYSA-N 2 2 349.482 3.433 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268835715 252284332 /nfs/dbraw/zinc/28/43/32/252284332.db2.gz SFISWRLGUDCQHS-QWHCGFSZSA-N 2 2 327.457 3.449 20 0 EGADLP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000268843014 252290018 /nfs/dbraw/zinc/29/00/18/252290018.db2.gz AZHJKHZUODDYDS-QUCCMNQESA-N 2 2 333.520 3.008 20 0 EGADLP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000268843014 252290021 /nfs/dbraw/zinc/29/00/21/252290021.db2.gz AZHJKHZUODDYDS-QUCCMNQESA-N 2 2 333.520 3.008 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154883242 224320943 /nfs/dbraw/zinc/32/09/43/224320943.db2.gz UUCMZDWUIOFDAC-LBPRGKRZSA-N 2 2 346.393 3.189 20 0 EGADLP COc1cc(C)c(C[N@H+](C)Cc2cccc3[nH+]ccn32)cc1OC ZINC000179605353 533570298 /nfs/dbraw/zinc/57/02/98/533570298.db2.gz FWUNRJBCNUJJEU-UHFFFAOYSA-N 2 2 325.412 3.292 20 0 EGADLP COc1cc(C)c(C[N@@H+](C)Cc2cccc3[nH+]ccn32)cc1OC ZINC000179605353 533570303 /nfs/dbraw/zinc/57/03/03/533570303.db2.gz FWUNRJBCNUJJEU-UHFFFAOYSA-N 2 2 325.412 3.292 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000677803945 549333989 /nfs/dbraw/zinc/33/39/89/549333989.db2.gz CBJJYZJESZWFME-ZCNNSNEGSA-N 2 2 327.516 3.256 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CN1Cc1ccccc1 ZINC000677803945 549333994 /nfs/dbraw/zinc/33/39/94/549333994.db2.gz CBJJYZJESZWFME-ZCNNSNEGSA-N 2 2 327.516 3.256 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246941498 141045317 /nfs/dbraw/zinc/04/53/17/141045317.db2.gz UEWNXRZIOVWPKH-CLCXKQKWSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246941498 141045319 /nfs/dbraw/zinc/04/53/19/141045319.db2.gz UEWNXRZIOVWPKH-CLCXKQKWSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246941498 141045321 /nfs/dbraw/zinc/04/53/21/141045321.db2.gz UEWNXRZIOVWPKH-CLCXKQKWSA-N 2 2 345.462 3.101 20 0 EGADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246941498 141045323 /nfs/dbraw/zinc/04/53/23/141045323.db2.gz UEWNXRZIOVWPKH-CLCXKQKWSA-N 2 2 345.462 3.101 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000339544083 141128250 /nfs/dbraw/zinc/12/82/50/141128250.db2.gz NIUOQHYQPXNHQM-FQEVSTJZSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1cc(Cl)ccc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000339544083 141128252 /nfs/dbraw/zinc/12/82/52/141128252.db2.gz NIUOQHYQPXNHQM-FQEVSTJZSA-N 2 2 344.886 3.157 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000348028457 141234534 /nfs/dbraw/zinc/23/45/34/141234534.db2.gz UEWXHKFOLUPGPN-DLBZAZTESA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000348028457 141234535 /nfs/dbraw/zinc/23/45/35/141234535.db2.gz UEWXHKFOLUPGPN-DLBZAZTESA-N 2 2 337.552 3.076 20 0 EGADLP COC(C)(C)[C@@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000340477044 292076732 /nfs/dbraw/zinc/07/67/32/292076732.db2.gz DNPMGIQFBLFQMK-DLBZAZTESA-N 2 2 334.504 3.290 20 0 EGADLP CC(C)c1nc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cs1 ZINC000186346396 144130642 /nfs/dbraw/zinc/13/06/42/144130642.db2.gz SLIQHRQBLDMZQC-GJZGRUSLSA-N 2 2 337.533 3.418 20 0 EGADLP FC(F)(F)Oc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351545491 144277057 /nfs/dbraw/zinc/27/70/57/144277057.db2.gz NDBSQCPPMVVOLC-UHFFFAOYSA-N 2 2 348.328 3.259 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600333 144286156 /nfs/dbraw/zinc/28/61/56/144286156.db2.gz XZBMQCSFSOVQFC-YJBOKZPZSA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600333 144286157 /nfs/dbraw/zinc/28/61/57/144286157.db2.gz XZBMQCSFSOVQFC-YJBOKZPZSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600333 144286159 /nfs/dbraw/zinc/28/61/59/144286159.db2.gz XZBMQCSFSOVQFC-YJBOKZPZSA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600333 144286161 /nfs/dbraw/zinc/28/61/61/144286161.db2.gz XZBMQCSFSOVQFC-YJBOKZPZSA-N 2 2 349.906 3.252 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851757 144316306 /nfs/dbraw/zinc/31/63/06/144316306.db2.gz MEGHROGJGMFLKD-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000351851757 144316308 /nfs/dbraw/zinc/31/63/08/144316308.db2.gz MEGHROGJGMFLKD-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP COc1cc2c(c(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)c1)O[C@@H](C)C2 ZINC000353676323 286250267 /nfs/dbraw/zinc/25/02/67/286250267.db2.gz XFZIKWBHFIJCDQ-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)c1)O[C@@H](C)C2 ZINC000353676323 286250270 /nfs/dbraw/zinc/25/02/70/286250270.db2.gz XFZIKWBHFIJCDQ-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)c1)O[C@@H](C)C2 ZINC000353676323 286250273 /nfs/dbraw/zinc/25/02/73/286250273.db2.gz XFZIKWBHFIJCDQ-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)c1)O[C@@H](C)C2 ZINC000353676323 286250275 /nfs/dbraw/zinc/25/02/75/286250275.db2.gz XFZIKWBHFIJCDQ-YJBOKZPZSA-N 2 2 332.488 3.325 20 0 EGADLP Cc1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)nc(C2CC2)[nH+]1 ZINC000341478922 155314326 /nfs/dbraw/zinc/31/43/26/155314326.db2.gz HJVCGRXQLCMJAO-UHFFFAOYSA-N 2 2 338.455 3.281 20 0 EGADLP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396063 152058133 /nfs/dbraw/zinc/05/81/33/152058133.db2.gz WOJYPDLDDAVJNV-KDOFPFPSSA-N 2 2 347.503 3.172 20 0 EGADLP C[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](c2ccccc2)C1 ZINC000117581455 152104984 /nfs/dbraw/zinc/10/49/84/152104984.db2.gz NYIDLFAMWJOXAB-FQEVSTJZSA-N 2 2 346.434 3.001 20 0 EGADLP C[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](c2ccccc2)C1 ZINC000117581455 152104988 /nfs/dbraw/zinc/10/49/88/152104988.db2.gz NYIDLFAMWJOXAB-FQEVSTJZSA-N 2 2 346.434 3.001 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@H]3CCc4ccccc43)c12 ZINC000119434708 152204495 /nfs/dbraw/zinc/20/44/95/152204495.db2.gz KBYOYYUQHUJHJF-OAHLLOKOSA-N 2 2 342.406 3.352 20 0 EGADLP CCOc1cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)ccc1OC ZINC000120902173 152309462 /nfs/dbraw/zinc/30/94/62/152309462.db2.gz KYDZMBFTZIBZEO-UHFFFAOYSA-N 2 2 341.455 3.120 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCCO2 ZINC000153298408 152532443 /nfs/dbraw/zinc/53/24/43/152532443.db2.gz KJHXBVYBZBMKME-APWZRJJASA-N 2 2 332.488 3.075 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1ccccc1 ZINC000341580332 155363612 /nfs/dbraw/zinc/36/36/12/155363612.db2.gz AEXLWUODUTWQGI-UHFFFAOYSA-N 2 2 339.483 3.493 20 0 EGADLP COc1ccccc1C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341594485 155375149 /nfs/dbraw/zinc/37/51/49/155375149.db2.gz PCCYOJFOKOPMTJ-INIZCTEOSA-N 2 2 334.504 3.105 20 0 EGADLP CCN(C)c1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cn1 ZINC000191135125 153177209 /nfs/dbraw/zinc/17/72/09/153177209.db2.gz ISCREVUBTUPZLG-UHFFFAOYSA-N 2 2 337.471 3.147 20 0 EGADLP COc1ccc([C@H](C[NH2+][C@H]2CCC23CCOCC3)[NH+]2CCCC2)cc1 ZINC000370312956 286373123 /nfs/dbraw/zinc/37/31/23/286373123.db2.gz FGWOXILHAPBIOG-PMACEKPBSA-N 2 2 344.499 3.381 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000302069153 154025728 /nfs/dbraw/zinc/02/57/28/154025728.db2.gz XFNNTMFNDXXMKM-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000302069153 154025731 /nfs/dbraw/zinc/02/57/31/154025731.db2.gz XFNNTMFNDXXMKM-UHFFFAOYSA-N 2 2 345.874 3.438 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000303649731 154051914 /nfs/dbraw/zinc/05/19/14/154051914.db2.gz DLULAJRHHTUCIW-GOSISDBHSA-N 2 2 349.438 3.109 20 0 EGADLP C[C@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305195300 154089771 /nfs/dbraw/zinc/08/97/71/154089771.db2.gz ZCYXPBVFNXQVGQ-RTBURBONSA-N 2 2 336.907 3.445 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000305774260 154116825 /nfs/dbraw/zinc/11/68/25/154116825.db2.gz YYDKJRVOQSVEQZ-CWFSZBLJSA-N 2 2 328.431 3.112 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000305774260 154116830 /nfs/dbraw/zinc/11/68/30/154116830.db2.gz YYDKJRVOQSVEQZ-CWFSZBLJSA-N 2 2 328.431 3.112 20 0 EGADLP O=c1ccccn1C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000337282810 154259504 /nfs/dbraw/zinc/25/95/04/154259504.db2.gz INBARYFLYQIPSW-IBGZPJMESA-N 2 2 344.418 3.027 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)oc1C ZINC000337452769 154361733 /nfs/dbraw/zinc/36/17/33/154361733.db2.gz IKSAWBKCUQHTRB-UZLBHIALSA-N 2 2 328.456 3.184 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)oc1C ZINC000337452769 154361737 /nfs/dbraw/zinc/36/17/37/154361737.db2.gz IKSAWBKCUQHTRB-UZLBHIALSA-N 2 2 328.456 3.184 20 0 EGADLP COc1sc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000346814740 156148537 /nfs/dbraw/zinc/14/85/37/156148537.db2.gz CKJYTRCAVZSHII-UFGOTCBOSA-N 2 2 345.306 3.078 20 0 EGADLP COc1sc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000346814740 156148543 /nfs/dbraw/zinc/14/85/43/156148543.db2.gz CKJYTRCAVZSHII-UFGOTCBOSA-N 2 2 345.306 3.078 20 0 EGADLP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023126 156253019 /nfs/dbraw/zinc/25/30/19/156253019.db2.gz PPLFXENHUKIFSB-YOFSQIOKSA-N 3 2 329.532 3.359 20 0 EGADLP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023126 156253021 /nfs/dbraw/zinc/25/30/21/156253021.db2.gz PPLFXENHUKIFSB-YOFSQIOKSA-N 3 2 329.532 3.359 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023126 156253025 /nfs/dbraw/zinc/25/30/25/156253025.db2.gz PPLFXENHUKIFSB-YOFSQIOKSA-N 3 2 329.532 3.359 20 0 EGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347023126 156253028 /nfs/dbraw/zinc/25/30/28/156253028.db2.gz PPLFXENHUKIFSB-YOFSQIOKSA-N 3 2 329.532 3.359 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000365633321 157198881 /nfs/dbraw/zinc/19/88/81/157198881.db2.gz VATBFGAKUUYSLA-IBGZPJMESA-N 2 2 335.455 3.045 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000365633321 157198884 /nfs/dbraw/zinc/19/88/84/157198884.db2.gz VATBFGAKUUYSLA-IBGZPJMESA-N 2 2 335.455 3.045 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368586280 157227781 /nfs/dbraw/zinc/22/77/81/157227781.db2.gz XGXZFPMLNOGDAT-JLTOFOAXSA-N 2 2 341.430 3.297 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c(Cl)nc21 ZINC000368791961 157291950 /nfs/dbraw/zinc/29/19/50/157291950.db2.gz WGSITRNJEWCEOM-HOTGVXAUSA-N 2 2 347.894 3.382 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c(Cl)nc21 ZINC000368791961 157291951 /nfs/dbraw/zinc/29/19/51/157291951.db2.gz WGSITRNJEWCEOM-HOTGVXAUSA-N 2 2 347.894 3.382 20 0 EGADLP Cc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000125864753 162289990 /nfs/dbraw/zinc/28/99/90/162289990.db2.gz VMWCGDUHGAIMJD-GOSISDBHSA-N 2 2 339.483 3.412 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1Cc1ccccc1 ZINC000248995633 163050549 /nfs/dbraw/zinc/05/05/49/163050549.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000248995633 163050550 /nfs/dbraw/zinc/05/05/50/163050550.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995633 163050552 /nfs/dbraw/zinc/05/05/52/163050552.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 3 2 327.516 3.254 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000248995633 163050554 /nfs/dbraw/zinc/05/05/54/163050554.db2.gz OXUBBIYHNBLJFJ-VZHSDHNVSA-N 3 2 327.516 3.254 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337224296 163169343 /nfs/dbraw/zinc/16/93/43/163169343.db2.gz NICXLTMPSJVNMT-OAHLLOKOSA-N 2 2 335.517 3.153 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000337224296 163169344 /nfs/dbraw/zinc/16/93/44/163169344.db2.gz NICXLTMPSJVNMT-OAHLLOKOSA-N 2 2 335.517 3.153 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)c[nH+]1 ZINC000354328959 166003840 /nfs/dbraw/zinc/00/38/40/166003840.db2.gz KHJFNKRFICQIMI-MRXNPFEDSA-N 2 2 343.858 3.371 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269745 163189167 /nfs/dbraw/zinc/18/91/67/163189167.db2.gz MANSDNLDQOYPSD-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269745 163189168 /nfs/dbraw/zinc/18/91/68/163189168.db2.gz MANSDNLDQOYPSD-HNNXBMFYSA-N 2 2 337.895 3.393 20 0 EGADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000342144488 287018462 /nfs/dbraw/zinc/01/84/62/287018462.db2.gz UEEATOGJMRJVJL-GHMZBOCLSA-N 2 2 346.500 3.054 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@@H]2CCCO2)CCOCC1)c1ccccc1 ZINC000346557040 164396218 /nfs/dbraw/zinc/39/62/18/164396218.db2.gz KTRGKPKGRMYGSN-LNLFQRSKSA-N 2 2 332.488 3.044 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@H]2CCCO2)CCOCC1)c1ccccc1 ZINC000346557039 164396383 /nfs/dbraw/zinc/39/63/83/164396383.db2.gz KTRGKPKGRMYGSN-JENIJYKNSA-N 2 2 332.488 3.044 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346569646 164399405 /nfs/dbraw/zinc/39/94/05/164399405.db2.gz VDNRZBLWXFELOI-SFHVURJKSA-N 2 2 328.366 3.244 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748989 165068508 /nfs/dbraw/zinc/06/85/08/165068508.db2.gz RWZUKYKZFOICTI-PKOBYXMFSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000350748989 165068510 /nfs/dbraw/zinc/06/85/10/165068510.db2.gz RWZUKYKZFOICTI-PKOBYXMFSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748989 165068513 /nfs/dbraw/zinc/06/85/13/165068513.db2.gz RWZUKYKZFOICTI-PKOBYXMFSA-N 2 2 343.515 3.092 20 0 EGADLP CCN(C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000350748989 165068517 /nfs/dbraw/zinc/06/85/17/165068517.db2.gz RWZUKYKZFOICTI-PKOBYXMFSA-N 2 2 343.515 3.092 20 0 EGADLP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346326 165098518 /nfs/dbraw/zinc/09/85/18/165098518.db2.gz YRALDRPUAHPVIJ-ICSRJNTNSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000351346326 165098521 /nfs/dbraw/zinc/09/85/21/165098521.db2.gz YRALDRPUAHPVIJ-ICSRJNTNSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351346326 165098524 /nfs/dbraw/zinc/09/85/24/165098524.db2.gz YRALDRPUAHPVIJ-ICSRJNTNSA-N 2 2 332.488 3.067 20 0 EGADLP COc1ccc([C@@H]2CCCCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351346326 165098528 /nfs/dbraw/zinc/09/85/28/165098528.db2.gz YRALDRPUAHPVIJ-ICSRJNTNSA-N 2 2 332.488 3.067 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000352305964 165334898 /nfs/dbraw/zinc/33/48/98/165334898.db2.gz VGZDJBXKNLPYRF-PLACYPQZSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000352305964 165334905 /nfs/dbraw/zinc/33/49/05/165334905.db2.gz VGZDJBXKNLPYRF-PLACYPQZSA-N 2 2 340.511 3.371 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000352342640 165352963 /nfs/dbraw/zinc/35/29/63/165352963.db2.gz WLCQQWWUSZNUCS-XMMPIXPASA-N 2 2 344.480 3.041 20 0 EGADLP CCN(CCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058763 166096119 /nfs/dbraw/zinc/09/61/19/166096119.db2.gz ONOBSRUYJULEGU-CABCVRRESA-N 2 2 332.414 3.040 20 0 EGADLP CCN(CCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)CC(F)(F)F ZINC000355058763 166096122 /nfs/dbraw/zinc/09/61/22/166096122.db2.gz ONOBSRUYJULEGU-CABCVRRESA-N 2 2 332.414 3.040 20 0 EGADLP COc1ccc(F)c(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)c1 ZINC000355124486 166113392 /nfs/dbraw/zinc/11/33/92/166113392.db2.gz BVGYQLOYAGGEAK-UHFFFAOYSA-N 2 2 343.446 3.293 20 0 EGADLP CO[C@@H]1CC[N@H+](CCCOc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359058874 167054776 /nfs/dbraw/zinc/05/47/76/167054776.db2.gz ONGYAYKMRYNNIM-QZTJIDSGSA-N 2 2 328.456 3.047 20 0 EGADLP CO[C@@H]1CC[N@@H+](CCCOc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000359058874 167054778 /nfs/dbraw/zinc/05/47/78/167054778.db2.gz ONGYAYKMRYNNIM-QZTJIDSGSA-N 2 2 328.456 3.047 20 0 EGADLP [NH3+]CCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC000359474679 167166386 /nfs/dbraw/zinc/16/63/86/167166386.db2.gz PSEDXBXZFFJGFJ-UHFFFAOYSA-N 2 2 334.467 3.282 20 0 EGADLP [NH3+]CCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC000359474679 167166389 /nfs/dbraw/zinc/16/63/89/167166389.db2.gz PSEDXBXZFFJGFJ-UHFFFAOYSA-N 2 2 334.467 3.282 20 0 EGADLP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1Cl ZINC000367439843 168226118 /nfs/dbraw/zinc/22/61/18/168226118.db2.gz XNDSXJIAKGLKJX-STQMWFEESA-N 2 2 334.851 3.477 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c(C)c1OC ZINC000367614766 168249224 /nfs/dbraw/zinc/24/92/24/168249224.db2.gz IHUUDVKFXDJCKI-CQSZACIVSA-N 2 2 343.471 3.266 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000367923830 168285206 /nfs/dbraw/zinc/28/52/06/168285206.db2.gz DVAIMTTZNVYFKM-MAUKXSAKSA-N 2 2 328.412 3.025 20 0 EGADLP c1cc(Oc2ccccc2)oc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367923830 168285209 /nfs/dbraw/zinc/28/52/09/168285209.db2.gz DVAIMTTZNVYFKM-MAUKXSAKSA-N 2 2 328.412 3.025 20 0 EGADLP C[C@@]1(C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[NH2+]C1 ZINC000166945801 264929714 /nfs/dbraw/zinc/92/97/14/264929714.db2.gz OVCBCZQHAJXLJI-QGZVFWFLSA-N 2 2 331.803 3.465 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000177927430 265288091 /nfs/dbraw/zinc/28/80/91/265288091.db2.gz NPCNSSNMAAMYAS-GXTWGEPZSA-N 2 2 339.277 3.043 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000177927430 265288093 /nfs/dbraw/zinc/28/80/93/265288093.db2.gz NPCNSSNMAAMYAS-GXTWGEPZSA-N 2 2 339.277 3.043 20 0 EGADLP Clc1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)s1 ZINC000193458873 266035043 /nfs/dbraw/zinc/03/50/43/266035043.db2.gz WIXODGPLEACZDZ-UHFFFAOYSA-N 2 2 341.952 3.395 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270260380 266441876 /nfs/dbraw/zinc/44/18/76/266441876.db2.gz JXDAWDRJWHBONQ-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000270260380 266441878 /nfs/dbraw/zinc/44/18/78/266441878.db2.gz JXDAWDRJWHBONQ-ZDUSSCGKSA-N 2 2 332.835 3.190 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ncc1F)C[NH+]1CCCC1 ZINC000273875489 267131640 /nfs/dbraw/zinc/13/16/40/267131640.db2.gz PMJLJCVEAVAHEC-RYUDHWBXSA-N 2 2 344.272 3.366 20 0 EGADLP Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000274274150 267209839 /nfs/dbraw/zinc/20/98/39/267209839.db2.gz XFDDRVHANNOVNN-OLZOCXBDSA-N 2 2 334.489 3.199 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000109786770 275179299 /nfs/dbraw/zinc/17/92/99/275179299.db2.gz ZYWMRRIQVOUMJF-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000109786770 275179300 /nfs/dbraw/zinc/17/93/00/275179300.db2.gz ZYWMRRIQVOUMJF-UHFFFAOYSA-N 2 2 337.895 3.393 20 0 EGADLP C[NH+]1CCN(c2ccc([NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000245555933 275232802 /nfs/dbraw/zinc/23/28/02/275232802.db2.gz CWZNCCOAZWVNSB-IPMKNSEASA-N 2 2 329.488 3.054 20 0 EGADLP CCO[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)C1(C)C ZINC000272264446 275243631 /nfs/dbraw/zinc/24/36/31/275243631.db2.gz MHAVFEFQRSKWOW-MSOLQXFVSA-N 2 2 346.519 3.228 20 0 EGADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277500533 275254661 /nfs/dbraw/zinc/25/46/61/275254661.db2.gz PGTIFQRDIKOGJT-MLGOLLRUSA-N 2 2 345.830 3.398 20 0 EGADLP CCn1nc(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1C ZINC000278644315 275261858 /nfs/dbraw/zinc/26/18/58/275261858.db2.gz JFQBVCDNIRHSNK-UHFFFAOYSA-N 2 2 328.460 3.267 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000278669817 275264026 /nfs/dbraw/zinc/26/40/26/275264026.db2.gz QYJUSAZXJFACCU-UHFFFAOYSA-N 2 2 339.439 3.262 20 0 EGADLP C[C@H](c1ccccn1)[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784181 275274521 /nfs/dbraw/zinc/27/45/21/275274521.db2.gz ZQUUDRXXJNWYNT-QUCCMNQESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccccn1)[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278784181 275274522 /nfs/dbraw/zinc/27/45/22/275274522.db2.gz ZQUUDRXXJNWYNT-QUCCMNQESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccccn1)[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278784181 275274523 /nfs/dbraw/zinc/27/45/23/275274523.db2.gz ZQUUDRXXJNWYNT-QUCCMNQESA-N 2 2 339.483 3.366 20 0 EGADLP C[C@H](c1ccccn1)[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278784181 275274524 /nfs/dbraw/zinc/27/45/24/275274524.db2.gz ZQUUDRXXJNWYNT-QUCCMNQESA-N 2 2 339.483 3.366 20 0 EGADLP CCc1noc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278897772 275285537 /nfs/dbraw/zinc/28/55/37/275285537.db2.gz OZPXLBDZIBMXGW-ZDUSSCGKSA-N 2 2 329.448 3.105 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000279806412 275361316 /nfs/dbraw/zinc/36/13/16/275361316.db2.gz NHMASCKTRXPHGN-LJQANCHMSA-N 2 2 342.487 3.094 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000280290586 275432814 /nfs/dbraw/zinc/43/28/14/275432814.db2.gz OETCNAOGJHDOBT-HNNXBMFYSA-N 2 2 346.393 3.081 20 0 EGADLP CCCCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000284150988 275778138 /nfs/dbraw/zinc/77/81/38/275778138.db2.gz WMMMMCQRMIUWCM-CMDGGOBGSA-N 2 2 332.492 3.361 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093693310 276109584 /nfs/dbraw/zinc/10/95/84/276109584.db2.gz UMIVYRCTGXCCQN-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000093693310 276109586 /nfs/dbraw/zinc/10/95/86/276109586.db2.gz UMIVYRCTGXCCQN-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000287620883 276140554 /nfs/dbraw/zinc/14/05/54/276140554.db2.gz JUSMINFHKJYHQF-UKRRQHHQSA-N 2 2 325.334 3.072 20 0 EGADLP CC[N@@H+](Cc1cnccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000287897911 276167719 /nfs/dbraw/zinc/16/77/19/276167719.db2.gz UQCCXDMHDGQGOP-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1cnccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000287897911 276167721 /nfs/dbraw/zinc/16/77/21/276167721.db2.gz UQCCXDMHDGQGOP-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000287929428 276170014 /nfs/dbraw/zinc/17/00/14/276170014.db2.gz WQHYEGNRHBTYEK-ZTFGCOKTSA-N 2 2 333.863 3.023 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000287929428 276170015 /nfs/dbraw/zinc/17/00/15/276170015.db2.gz WQHYEGNRHBTYEK-ZTFGCOKTSA-N 2 2 333.863 3.023 20 0 EGADLP c1cc2c(o1)CCC[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000288721230 276245389 /nfs/dbraw/zinc/24/53/89/276245389.db2.gz FVKQDIMKHLSZQW-FQEVSTJZSA-N 2 2 340.467 3.319 20 0 EGADLP c1cc2c(o1)CCC[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000288721230 276245390 /nfs/dbraw/zinc/24/53/90/276245390.db2.gz FVKQDIMKHLSZQW-FQEVSTJZSA-N 2 2 340.467 3.319 20 0 EGADLP c1cc2c(o1)CCC[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000288721230 276245391 /nfs/dbraw/zinc/24/53/91/276245391.db2.gz FVKQDIMKHLSZQW-FQEVSTJZSA-N 2 2 340.467 3.319 20 0 EGADLP c1cc2c(o1)CCC[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000288721230 276245392 /nfs/dbraw/zinc/24/53/92/276245392.db2.gz FVKQDIMKHLSZQW-FQEVSTJZSA-N 2 2 340.467 3.319 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000289078030 276287827 /nfs/dbraw/zinc/28/78/27/276287827.db2.gz KHPJPOZWVUTAJM-UHFFFAOYSA-N 2 2 333.476 3.312 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000289270622 276313972 /nfs/dbraw/zinc/31/39/72/276313972.db2.gz NMNWJLMECNSMOA-UHFFFAOYSA-N 2 2 325.456 3.267 20 0 EGADLP CCc1nc(CN2CC[NH+](CCCc3c[nH+]ccc3C)CC2)cs1 ZINC000289400668 276333508 /nfs/dbraw/zinc/33/35/08/276333508.db2.gz RZGWTEPAIZQASO-UHFFFAOYSA-N 2 2 344.528 3.159 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000289588595 276362540 /nfs/dbraw/zinc/36/25/40/276362540.db2.gz HUDOIWIVDZMQNL-MRXNPFEDSA-N 2 2 340.254 3.343 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000289588595 276362542 /nfs/dbraw/zinc/36/25/42/276362542.db2.gz HUDOIWIVDZMQNL-MRXNPFEDSA-N 2 2 340.254 3.343 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000289588594 276362579 /nfs/dbraw/zinc/36/25/79/276362579.db2.gz HUDOIWIVDZMQNL-INIZCTEOSA-N 2 2 340.254 3.343 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000289588594 276362581 /nfs/dbraw/zinc/36/25/81/276362581.db2.gz HUDOIWIVDZMQNL-INIZCTEOSA-N 2 2 340.254 3.343 20 0 EGADLP CC(=O)Nc1ccccc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000289696920 276379858 /nfs/dbraw/zinc/37/98/58/276379858.db2.gz FVKXUQQZUVNRMR-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1ccccc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000289696920 276379859 /nfs/dbraw/zinc/37/98/59/276379859.db2.gz FVKXUQQZUVNRMR-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1ccccc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289696920 276379860 /nfs/dbraw/zinc/37/98/60/276379860.db2.gz FVKXUQQZUVNRMR-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1ccccc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289696920 276379861 /nfs/dbraw/zinc/37/98/61/276379861.db2.gz FVKXUQQZUVNRMR-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CCc1nn(C)c(CC)c1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289795352 276395953 /nfs/dbraw/zinc/39/59/53/276395953.db2.gz MILCROYHHUQJJS-UHFFFAOYSA-N 2 2 332.492 3.092 20 0 EGADLP CCc1nn(C)c(CC)c1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000289795352 276395954 /nfs/dbraw/zinc/39/59/54/276395954.db2.gz MILCROYHHUQJJS-UHFFFAOYSA-N 2 2 332.492 3.092 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000289795352 276395956 /nfs/dbraw/zinc/39/59/56/276395956.db2.gz MILCROYHHUQJJS-UHFFFAOYSA-N 2 2 332.492 3.092 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000289795352 276395958 /nfs/dbraw/zinc/39/59/58/276395958.db2.gz MILCROYHHUQJJS-UHFFFAOYSA-N 2 2 332.492 3.092 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301648 277275634 /nfs/dbraw/zinc/27/56/34/277275634.db2.gz HCVHKJVSMQMXPV-WMZOPIPTSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301648 277275635 /nfs/dbraw/zinc/27/56/35/277275635.db2.gz HCVHKJVSMQMXPV-WMZOPIPTSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000375301648 277275636 /nfs/dbraw/zinc/27/56/36/277275636.db2.gz HCVHKJVSMQMXPV-WMZOPIPTSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000375301648 277275637 /nfs/dbraw/zinc/27/56/37/277275637.db2.gz HCVHKJVSMQMXPV-WMZOPIPTSA-N 2 2 328.504 3.223 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)c(C)c1 ZINC000310592519 280390873 /nfs/dbraw/zinc/39/08/73/280390873.db2.gz AEQDOAUYBSFZAU-UHFFFAOYSA-N 2 2 339.483 3.401 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)c(C)c1 ZINC000310592519 280390874 /nfs/dbraw/zinc/39/08/74/280390874.db2.gz AEQDOAUYBSFZAU-UHFFFAOYSA-N 2 2 339.483 3.401 20 0 EGADLP Cc1ccc2[nH+]ccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c2c1 ZINC000354575358 281169770 /nfs/dbraw/zinc/16/97/70/281169770.db2.gz MBYVDKXUVAEHRU-KRWDZBQOSA-N 3 2 338.499 3.148 20 0 EGADLP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c2c1 ZINC000354575358 281169772 /nfs/dbraw/zinc/16/97/72/281169772.db2.gz MBYVDKXUVAEHRU-KRWDZBQOSA-N 3 2 338.499 3.148 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245687487 281331456 /nfs/dbraw/zinc/33/14/56/281331456.db2.gz IVFXWWFZVNHLHD-ANTGDGSKSA-N 2 2 349.563 3.218 20 0 EGADLP CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245687487 281331458 /nfs/dbraw/zinc/33/14/58/281331458.db2.gz IVFXWWFZVNHLHD-ANTGDGSKSA-N 2 2 349.563 3.218 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]2CCCO[C@H]21 ZINC000378551845 281516199 /nfs/dbraw/zinc/51/61/99/281516199.db2.gz PIQKWWXCGRIORO-RRFJBIMHSA-N 2 2 334.426 3.196 20 0 EGADLP COc1cc2c(c(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)c1)O[C@@H](C)C2 ZINC000353676321 295030041 /nfs/dbraw/zinc/03/00/41/295030041.db2.gz XFZIKWBHFIJCDQ-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)c1)O[C@@H](C)C2 ZINC000353676321 295030044 /nfs/dbraw/zinc/03/00/44/295030044.db2.gz XFZIKWBHFIJCDQ-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)c1)O[C@@H](C)C2 ZINC000353676321 295030047 /nfs/dbraw/zinc/03/00/47/295030047.db2.gz XFZIKWBHFIJCDQ-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)c1)O[C@@H](C)C2 ZINC000353676321 295030050 /nfs/dbraw/zinc/03/00/50/295030050.db2.gz XFZIKWBHFIJCDQ-MAUKXSAKSA-N 2 2 332.488 3.325 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000364121381 295275065 /nfs/dbraw/zinc/27/50/65/295275065.db2.gz MUXYGMALEIAMGK-QGPMSJSTSA-N 2 2 348.512 3.075 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCCS2 ZINC000364121381 295275067 /nfs/dbraw/zinc/27/50/67/295275067.db2.gz MUXYGMALEIAMGK-QGPMSJSTSA-N 2 2 348.512 3.075 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CCCO2 ZINC000361346245 301209830 /nfs/dbraw/zinc/20/98/30/301209830.db2.gz NARRVBLLQMCWGN-QUCCMNQESA-N 2 2 346.515 3.200 20 0 EGADLP Cn1c[nH+]cc1[C@H]1[C@@H]([NH2+]C2CCC(C)(C)CC2)CCC(=O)N1C1CC1 ZINC000344879919 303031359 /nfs/dbraw/zinc/03/13/59/303031359.db2.gz UDCTXQJEOWZYBI-QFBILLFUSA-N 2 2 344.503 3.173 20 0 EGADLP Cn1c[nH+]cc1[C@H]1[C@H]([NH2+]C2CCC(C)(C)CC2)CCC(=O)N1C1CC1 ZINC000344879920 303031549 /nfs/dbraw/zinc/03/15/49/303031549.db2.gz UDCTXQJEOWZYBI-VQIMIIECSA-N 2 2 344.503 3.173 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718221 307381720 /nfs/dbraw/zinc/38/17/20/307381720.db2.gz MNSHGMFECYPJQX-QZTJIDSGSA-N 2 2 343.515 3.384 20 0 EGADLP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718221 307381721 /nfs/dbraw/zinc/38/17/21/307381721.db2.gz MNSHGMFECYPJQX-QZTJIDSGSA-N 2 2 343.515 3.384 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414115998 309061935 /nfs/dbraw/zinc/06/19/35/309061935.db2.gz VSHHVZYHKDGUPP-ZIFCJYIRSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414115998 309061936 /nfs/dbraw/zinc/06/19/36/309061936.db2.gz VSHHVZYHKDGUPP-ZIFCJYIRSA-N 2 2 338.499 3.391 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000156423398 307832994 /nfs/dbraw/zinc/83/29/94/307832994.db2.gz OFLZUCUHDVPBGX-INIZCTEOSA-N 2 2 348.491 3.263 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(OC(F)(F)F)cc1 ZINC000414276257 309070164 /nfs/dbraw/zinc/07/01/64/309070164.db2.gz XVTNHJFDGMGGGW-NSHDSACASA-N 2 2 342.365 3.236 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)c(Cl)c1 ZINC000158940566 307865977 /nfs/dbraw/zinc/86/59/77/307865977.db2.gz DEFMWEDQXWQYGD-DZGCQCFKSA-N 2 2 328.859 3.223 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414288682 309070786 /nfs/dbraw/zinc/07/07/86/309070786.db2.gz LRPSYOVRPOCHHS-PBEJRMEISA-N 2 2 342.458 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414288682 309070787 /nfs/dbraw/zinc/07/07/87/309070787.db2.gz LRPSYOVRPOCHHS-PBEJRMEISA-N 2 2 342.458 3.012 20 0 EGADLP Cc1occc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000414321656 309072795 /nfs/dbraw/zinc/07/27/95/309072795.db2.gz DJZLPEHUXRABTM-CQSZACIVSA-N 2 2 331.435 3.330 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)n1C ZINC000414348792 309074562 /nfs/dbraw/zinc/07/45/62/309074562.db2.gz XWWHWTUHVOIBLL-UHFFFAOYSA-N 2 2 338.377 3.284 20 0 EGADLP CC[NH+](CC)CCCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000254976024 308036054 /nfs/dbraw/zinc/03/60/54/308036054.db2.gz VIDJZFVSTGZGQF-XFXZXTDPSA-N 2 2 340.471 3.124 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000414441612 309080356 /nfs/dbraw/zinc/08/03/56/309080356.db2.gz JSGRUFQQQRMKJH-AUUYWEPGSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000414441612 309080357 /nfs/dbraw/zinc/08/03/57/309080357.db2.gz JSGRUFQQQRMKJH-AUUYWEPGSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000414441612 309080358 /nfs/dbraw/zinc/08/03/58/309080358.db2.gz JSGRUFQQQRMKJH-AUUYWEPGSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000414441612 309080359 /nfs/dbraw/zinc/08/03/59/309080359.db2.gz JSGRUFQQQRMKJH-AUUYWEPGSA-N 2 2 330.451 3.092 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897036 308077570 /nfs/dbraw/zinc/07/75/70/308077570.db2.gz GFZAONNFTQNZHV-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000292897036 308077571 /nfs/dbraw/zinc/07/75/71/308077571.db2.gz GFZAONNFTQNZHV-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000292897036 308077573 /nfs/dbraw/zinc/07/75/73/308077573.db2.gz GFZAONNFTQNZHV-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000292897036 308077575 /nfs/dbraw/zinc/07/75/75/308077575.db2.gz GFZAONNFTQNZHV-PXNSSMCTSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293918684 308173756 /nfs/dbraw/zinc/17/37/56/308173756.db2.gz XFZAULUMFLGRGO-ONGXEEELSA-N 2 2 326.263 3.373 20 0 EGADLP C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C2)C1 ZINC000293960481 308177890 /nfs/dbraw/zinc/17/78/90/308177890.db2.gz SZQHHGQOOCIXBR-FQEVSTJZSA-N 2 2 337.423 3.042 20 0 EGADLP C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(Oc4cc[nH+]cc4)c3)C2)C1 ZINC000293960481 308177891 /nfs/dbraw/zinc/17/78/91/308177891.db2.gz SZQHHGQOOCIXBR-FQEVSTJZSA-N 2 2 337.423 3.042 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000294678821 308245154 /nfs/dbraw/zinc/24/51/54/308245154.db2.gz MSQGZQHAFJKACD-UHFFFAOYSA-N 2 2 334.366 3.417 20 0 EGADLP Cc1cnc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000294952480 308275621 /nfs/dbraw/zinc/27/56/21/308275621.db2.gz FMWHYQMDLDPXCA-CQSZACIVSA-N 2 2 348.491 3.193 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000295024505 308282795 /nfs/dbraw/zinc/28/27/95/308282795.db2.gz MLBQIRHOKIQXMB-UHFFFAOYSA-N 2 2 333.819 3.160 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000295939165 308376676 /nfs/dbraw/zinc/37/66/76/308376676.db2.gz KUEHIMVOCWYIQI-SJLPKXTDSA-N 2 2 342.487 3.399 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000295947366 308377634 /nfs/dbraw/zinc/37/76/34/308377634.db2.gz LGFDEPBRJLALTA-CYBMUJFWSA-N 2 2 327.407 3.387 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766610 309099568 /nfs/dbraw/zinc/09/95/68/309099568.db2.gz HZOMHSFIXNZUHT-JSGCOSHPSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414766610 309099569 /nfs/dbraw/zinc/09/95/69/309099569.db2.gz HZOMHSFIXNZUHT-JSGCOSHPSA-N 2 2 346.393 3.196 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414801607 309102393 /nfs/dbraw/zinc/10/23/93/309102393.db2.gz UMRRYYSTWIBSKA-SFHVURJKSA-N 2 2 334.895 3.275 20 0 EGADLP CC(C)c1nc(NCC2([NH+](C)C)CCOCC2)cc(C(C)(C)C)[nH+]1 ZINC000302896018 308750051 /nfs/dbraw/zinc/75/00/51/308750051.db2.gz PARKLWRDOSQZKP-UHFFFAOYSA-N 2 2 334.508 3.420 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000309946175 308763098 /nfs/dbraw/zinc/76/30/98/308763098.db2.gz GOGGEQHQKAXGFN-HZPDHXFCSA-N 2 2 336.480 3.089 20 0 EGADLP Clc1ccc2[nH+]c(CN3CC[NH2+]C[C@@H]3c3ccccc3)cn2c1 ZINC000313324678 308765066 /nfs/dbraw/zinc/76/50/66/308765066.db2.gz NGBLUKOOWLYBDO-QGZVFWFLSA-N 2 2 326.831 3.134 20 0 EGADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414846090 309105171 /nfs/dbraw/zinc/10/51/71/309105171.db2.gz SGEZFYWCNJMBPR-UHFFFAOYSA-N 2 2 340.393 3.343 20 0 EGADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(NC2CC2)[nH+]cn1 ZINC000413177199 309019779 /nfs/dbraw/zinc/01/97/79/309019779.db2.gz VQKOMKPROHRTRQ-KRWDZBQOSA-N 2 2 337.471 3.009 20 0 EGADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(NC2CC2)[nH+]cn1 ZINC000413177199 309019780 /nfs/dbraw/zinc/01/97/80/309019780.db2.gz VQKOMKPROHRTRQ-KRWDZBQOSA-N 2 2 337.471 3.009 20 0 EGADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(NC2CC2)nc[nH+]1 ZINC000413177199 309019781 /nfs/dbraw/zinc/01/97/81/309019781.db2.gz VQKOMKPROHRTRQ-KRWDZBQOSA-N 2 2 337.471 3.009 20 0 EGADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(NC2CC2)nc[nH+]1 ZINC000413177199 309019782 /nfs/dbraw/zinc/01/97/82/309019782.db2.gz VQKOMKPROHRTRQ-KRWDZBQOSA-N 2 2 337.471 3.009 20 0 EGADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414867129 309106416 /nfs/dbraw/zinc/10/64/16/309106416.db2.gz GELVMEGCMNQGLB-QGZVFWFLSA-N 2 2 338.480 3.111 20 0 EGADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414868540 309106440 /nfs/dbraw/zinc/10/64/40/309106440.db2.gz QDCQNAXBBDKKBJ-KRWDZBQOSA-N 2 2 342.487 3.155 20 0 EGADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414867625 309106491 /nfs/dbraw/zinc/10/64/91/309106491.db2.gz GUADULQQRRDFSA-BLLLJJGKSA-N 2 2 349.272 3.321 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1OCc1ccc(Cl)cc1 ZINC000414878617 309106895 /nfs/dbraw/zinc/10/68/95/309106895.db2.gz HQFCROOERZVCOV-KRWDZBQOSA-N 2 2 346.858 3.379 20 0 EGADLP CCCOc1ccc(Br)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414886872 309107250 /nfs/dbraw/zinc/10/72/50/309107250.db2.gz QAFLXTXOUYERNS-UHFFFAOYSA-N 2 2 327.266 3.209 20 0 EGADLP CCc1ncc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000414951696 309111128 /nfs/dbraw/zinc/11/11/28/309111128.db2.gz PZDZUZNEXSAVJZ-CJNGLKHVSA-N 2 2 337.439 3.219 20 0 EGADLP Cc1nc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000414958425 309111541 /nfs/dbraw/zinc/11/15/41/309111541.db2.gz WSIMIOVFJVKRRB-BBRMVZONSA-N 2 2 337.439 3.273 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000415081175 309118884 /nfs/dbraw/zinc/11/88/84/309118884.db2.gz KISROGLRRIEAAB-APWZRJJASA-N 2 2 334.504 3.290 20 0 EGADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415132788 309122919 /nfs/dbraw/zinc/12/29/19/309122919.db2.gz LZDOJMUGEGIRDD-WOJBJXKFSA-N 3 2 329.532 3.394 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137518 309123184 /nfs/dbraw/zinc/12/31/84/309123184.db2.gz UFSKYDDLJJMCEO-UXHICEINSA-N 3 2 327.516 3.148 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415139562 309123377 /nfs/dbraw/zinc/12/33/77/309123377.db2.gz ZXDPDDKZNUSEKV-CVEARBPZSA-N 2 2 345.512 3.447 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415139562 309123378 /nfs/dbraw/zinc/12/33/78/309123378.db2.gz ZXDPDDKZNUSEKV-CVEARBPZSA-N 2 2 345.512 3.447 20 0 EGADLP [NH3+]C1CCC(NC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000415189255 309125550 /nfs/dbraw/zinc/12/55/50/309125550.db2.gz SASYQKYYQJWWME-UHFFFAOYSA-N 2 2 326.400 3.265 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000415292690 309130047 /nfs/dbraw/zinc/13/00/47/309130047.db2.gz KCQRWZHBXJBMAN-INIZCTEOSA-N 2 2 341.459 3.305 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)CCC[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415453455 309133933 /nfs/dbraw/zinc/13/39/33/309133933.db2.gz LLCWTRKGDQJVGB-GJZGRUSLSA-N 2 2 333.480 3.018 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000415907732 309147430 /nfs/dbraw/zinc/14/74/30/309147430.db2.gz NYWPVHYZLJCWHS-INIZCTEOSA-N 2 2 327.432 3.278 20 0 EGADLP CCn1cncc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000417789329 309222353 /nfs/dbraw/zinc/22/23/53/309222353.db2.gz JHXGCNFXEXRKTQ-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP CCn1cncc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000417789329 309222354 /nfs/dbraw/zinc/22/23/54/309222354.db2.gz JHXGCNFXEXRKTQ-UHFFFAOYSA-N 2 2 327.476 3.037 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2COC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000417930464 309228759 /nfs/dbraw/zinc/22/87/59/309228759.db2.gz UJADVINFFAVRQN-FUHWJXTLSA-N 2 2 332.488 3.044 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000417951336 309229232 /nfs/dbraw/zinc/22/92/32/309229232.db2.gz LILBSCKCKACLCV-LRSLUSHPSA-N 2 2 336.479 3.015 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000417951336 309229233 /nfs/dbraw/zinc/22/92/33/309229233.db2.gz LILBSCKCKACLCV-LRSLUSHPSA-N 2 2 336.479 3.015 20 0 EGADLP CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2cc[nH+]c3ccccc32)C1 ZINC000418939622 309258620 /nfs/dbraw/zinc/25/86/20/309258620.db2.gz FWRWSFQHDFKCBZ-HXUWFJFHSA-N 2 2 341.455 3.135 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000419291854 309263330 /nfs/dbraw/zinc/26/33/30/309263330.db2.gz LVMDWFARLRCNQP-CYBMUJFWSA-N 2 2 335.879 3.274 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420310788 309281000 /nfs/dbraw/zinc/28/10/00/309281000.db2.gz GVOVRWNIAJHHQO-DYXWJJEUSA-N 2 2 349.478 3.216 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420310788 309281001 /nfs/dbraw/zinc/28/10/01/309281001.db2.gz GVOVRWNIAJHHQO-DYXWJJEUSA-N 2 2 349.478 3.216 20 0 EGADLP COc1ccc(CC[N@@H+](Cc2ccsc2)C[C@@H](C)[NH3+])cc1OC ZINC000420310468 309281082 /nfs/dbraw/zinc/28/10/82/309281082.db2.gz VAAASNDQOVVZMU-CQSZACIVSA-N 2 2 334.485 3.157 20 0 EGADLP COc1ccc(CC[N@H+](Cc2ccsc2)C[C@@H](C)[NH3+])cc1OC ZINC000420310468 309281083 /nfs/dbraw/zinc/28/10/83/309281083.db2.gz VAAASNDQOVVZMU-CQSZACIVSA-N 2 2 334.485 3.157 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326646 309282312 /nfs/dbraw/zinc/28/23/12/309282312.db2.gz XRMADODJGOAEPU-IRXDYDNUSA-N 2 2 349.478 3.119 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000420326646 309282313 /nfs/dbraw/zinc/28/23/13/309282313.db2.gz XRMADODJGOAEPU-IRXDYDNUSA-N 2 2 349.478 3.119 20 0 EGADLP Cc1nc(-c2cccc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c2)cs1 ZINC000420355426 309283791 /nfs/dbraw/zinc/28/37/91/309283791.db2.gz FAUFIHDFTRCACJ-INIZCTEOSA-N 2 2 346.500 3.020 20 0 EGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000420357177 309283978 /nfs/dbraw/zinc/28/39/78/309283978.db2.gz HPPVCEAXOXWWGA-HNNXBMFYSA-N 2 2 343.393 3.141 20 0 EGADLP Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)C2CC2)cc1 ZINC000420359653 309284183 /nfs/dbraw/zinc/28/41/83/309284183.db2.gz GHZIBZVUJGVPRO-CTNGQTDRSA-N 2 2 343.515 3.060 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000420363842 309284249 /nfs/dbraw/zinc/28/42/49/309284249.db2.gz OHENRLFQONDNCT-SFHVURJKSA-N 2 2 325.456 3.402 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1c(F)cccc1Cl ZINC000420395230 309286339 /nfs/dbraw/zinc/28/63/39/309286339.db2.gz DEPBGUNWPORCIV-ZLIFDBKOSA-N 2 2 336.838 3.061 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)c1 ZINC000420399038 309286532 /nfs/dbraw/zinc/28/65/32/309286532.db2.gz HMIRRVUKWUJWJU-DZGCQCFKSA-N 2 2 331.485 3.235 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cs2)c1 ZINC000420399038 309286533 /nfs/dbraw/zinc/28/65/33/309286533.db2.gz HMIRRVUKWUJWJU-DZGCQCFKSA-N 2 2 331.485 3.235 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000420800222 309295426 /nfs/dbraw/zinc/29/54/26/309295426.db2.gz ZBHPCBNIDMRIBY-QGZVFWFLSA-N 2 2 346.519 3.398 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000420800222 309295427 /nfs/dbraw/zinc/29/54/27/309295427.db2.gz ZBHPCBNIDMRIBY-QGZVFWFLSA-N 2 2 346.519 3.398 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420929900 309301929 /nfs/dbraw/zinc/30/19/29/309301929.db2.gz DKXQRZMWVQHCLJ-HXUWFJFHSA-N 2 2 325.456 3.184 20 0 EGADLP c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420929900 309301930 /nfs/dbraw/zinc/30/19/30/309301930.db2.gz DKXQRZMWVQHCLJ-HXUWFJFHSA-N 2 2 325.456 3.184 20 0 EGADLP c1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420934637 309302373 /nfs/dbraw/zinc/30/23/73/309302373.db2.gz JKDXAAIMPYRVHC-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420934637 309302374 /nfs/dbraw/zinc/30/23/74/309302374.db2.gz JKDXAAIMPYRVHC-NRFANRHFSA-N 2 2 337.467 3.251 20 0 EGADLP c1cc(C[N@@H+](Cc2ccncc2)C2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000420937995 309302603 /nfs/dbraw/zinc/30/26/03/309302603.db2.gz MGKXTHPTTORJTN-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1cc(C[N@H+](Cc2ccncc2)C2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000420937995 309302604 /nfs/dbraw/zinc/30/26/04/309302604.db2.gz MGKXTHPTTORJTN-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946251 309303347 /nfs/dbraw/zinc/30/33/47/309303347.db2.gz AQPRIGNHSIYHEW-GHTZIAJQSA-N 2 2 346.515 3.034 20 0 EGADLP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946251 309303348 /nfs/dbraw/zinc/30/33/48/309303348.db2.gz AQPRIGNHSIYHEW-GHTZIAJQSA-N 2 2 346.515 3.034 20 0 EGADLP c1cncc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000420947659 309303372 /nfs/dbraw/zinc/30/33/72/309303372.db2.gz OHNTYHFCDNYYGM-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1cncc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000420947659 309303373 /nfs/dbraw/zinc/30/33/73/309303373.db2.gz OHNTYHFCDNYYGM-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1cncc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000420948740 309303636 /nfs/dbraw/zinc/30/36/36/309303636.db2.gz POJSEPXZUXPQMS-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP c1cncc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000420948740 309303637 /nfs/dbraw/zinc/30/36/37/309303637.db2.gz POJSEPXZUXPQMS-UHFFFAOYSA-N 2 2 337.467 3.078 20 0 EGADLP CCc1cnccc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420949562 309303683 /nfs/dbraw/zinc/30/36/83/309303683.db2.gz QVFFHAYJZBAURZ-KRWDZBQOSA-N 2 2 339.483 3.327 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000421369604 309321043 /nfs/dbraw/zinc/32/10/43/309321043.db2.gz IHAYBAPDVCDBBC-PPXMBRMGSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000421369604 309321044 /nfs/dbraw/zinc/32/10/44/309321044.db2.gz IHAYBAPDVCDBBC-PPXMBRMGSA-N 3 2 329.532 3.359 20 0 EGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398608 309322921 /nfs/dbraw/zinc/32/29/21/309322921.db2.gz GSONLXJLZAQKGO-CMKODMSKSA-N 2 2 346.515 3.071 20 0 EGADLP COC1([C@H](C)[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000421398608 309322922 /nfs/dbraw/zinc/32/29/22/309322922.db2.gz GSONLXJLZAQKGO-CMKODMSKSA-N 2 2 346.515 3.071 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C(C)C)c(F)c1 ZINC000421828894 309342038 /nfs/dbraw/zinc/34/20/38/309342038.db2.gz FWGJOSDUEZZIAO-DNVCBOLYSA-N 2 2 338.467 3.089 20 0 EGADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000421829058 309342041 /nfs/dbraw/zinc/34/20/41/309342041.db2.gz GQFWNWIFRXNIGU-ZBFHGGJFSA-N 2 2 340.895 3.092 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422235619 309358762 /nfs/dbraw/zinc/35/87/62/309358762.db2.gz GGCXUQKSRXEIHT-JCYILVPMSA-N 2 2 347.507 3.012 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721638 309364995 /nfs/dbraw/zinc/36/49/95/309364995.db2.gz VWEAJSRKTPYDQJ-VLCRHTCISA-N 3 2 335.495 3.285 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721638 309364996 /nfs/dbraw/zinc/36/49/96/309364996.db2.gz VWEAJSRKTPYDQJ-VLCRHTCISA-N 3 2 335.495 3.285 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000422727921 309365396 /nfs/dbraw/zinc/36/53/96/309365396.db2.gz DTUXKKXYQNJZKB-HSQYWUDLSA-N 2 2 339.527 3.400 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000422774015 309367710 /nfs/dbraw/zinc/36/77/10/309367710.db2.gz ZSWFRQQGBAYAJX-HBFSDRIKSA-N 3 2 345.531 3.007 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000422779085 309367892 /nfs/dbraw/zinc/36/78/92/309367892.db2.gz ILMOJZIDDRFQDF-TZMCWYRMSA-N 2 2 347.286 3.119 20 0 EGADLP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422793304 309368734 /nfs/dbraw/zinc/36/87/34/309368734.db2.gz XBRJGBGLAKWCOU-BEFAXECRSA-N 2 2 335.923 3.425 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(OC[C@H]2CCCO2)c1 ZINC000422877124 309373456 /nfs/dbraw/zinc/37/34/56/309373456.db2.gz RBFCTTRTIPXARL-QXAKKESOSA-N 2 2 332.488 3.173 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000422909063 309375596 /nfs/dbraw/zinc/37/55/96/309375596.db2.gz ZRAFQOFESCACDZ-VNHYZAJKSA-N 2 2 346.393 3.045 20 0 EGADLP CC(C)Oc1ccc([C@@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1 ZINC000423124523 309387070 /nfs/dbraw/zinc/38/70/70/309387070.db2.gz MQQBPQFIZYERCV-MGPUTAFESA-N 2 2 342.487 3.235 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000423150261 309388593 /nfs/dbraw/zinc/38/85/93/309388593.db2.gz BJXRALXIUTVPCS-WHCBVINPSA-N 2 2 326.843 3.287 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@@H]1CCC[NH2+]1 ZINC000423156905 309388753 /nfs/dbraw/zinc/38/87/53/309388753.db2.gz UNCKMAWODSXVKR-BIGNPOOSSA-N 2 2 327.241 3.306 20 0 EGADLP Fc1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000423240351 309392089 /nfs/dbraw/zinc/39/20/89/309392089.db2.gz SWWGGXNEJAQJBP-SWLSCSKDSA-N 2 2 327.241 3.381 20 0 EGADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423248523 309392197 /nfs/dbraw/zinc/39/21/97/309392197.db2.gz QXAWJJBIKOXIPP-MRXNPFEDSA-N 2 2 338.455 3.173 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1cccc(-n2ccnn2)c1 ZINC000423270893 309393321 /nfs/dbraw/zinc/39/33/21/309393321.db2.gz GUWYXRTZGSNYMQ-INIZCTEOSA-N 2 2 327.476 3.230 20 0 EGADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000423309154 309394723 /nfs/dbraw/zinc/39/47/23/309394723.db2.gz PJXZNXLTDYXEGV-CYBMUJFWSA-N 2 2 344.484 3.401 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)CCC[NH2+]1 ZINC000423414626 309399312 /nfs/dbraw/zinc/39/93/12/309399312.db2.gz CKNVRVYOEOZARW-JXFKEZNVSA-N 2 2 325.456 3.168 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CCC[NH2+]1 ZINC000423439049 309400507 /nfs/dbraw/zinc/40/05/07/309400507.db2.gz VCNYMQBIZWALQZ-DYVFJYSZSA-N 2 2 328.403 3.016 20 0 EGADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424186004 309432149 /nfs/dbraw/zinc/43/21/49/309432149.db2.gz GTYYARADEXBHSR-QGZVFWFLSA-N 2 2 346.519 3.256 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC000424359591 309440308 /nfs/dbraw/zinc/44/03/08/309440308.db2.gz YJNPIDJGLDQJPR-LYBXBRPPSA-N 2 2 346.515 3.419 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000425950882 309495578 /nfs/dbraw/zinc/49/55/78/309495578.db2.gz LIQQNSOBPPNDRA-CHWSQXEVSA-N 2 2 335.883 3.077 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C3CCC3)C3CCC3)c2cc1C ZINC000429128998 309571569 /nfs/dbraw/zinc/57/15/69/309571569.db2.gz CTWOUHAXXUOVGX-SFHVURJKSA-N 2 2 327.472 3.421 20 0 EGADLP Cc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1c(F)cc(F)cc1F ZINC000434659983 309716747 /nfs/dbraw/zinc/71/67/47/309716747.db2.gz WUGJGLDZHKFPRK-UHFFFAOYSA-N 2 2 341.402 3.459 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1)[NH+](C)C ZINC000443016926 309893650 /nfs/dbraw/zinc/89/36/50/309893650.db2.gz XQQFIWXCRJOJBJ-UWJYYQICSA-N 2 2 349.482 3.357 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1O ZINC000448352509 310002453 /nfs/dbraw/zinc/00/24/53/310002453.db2.gz DGNXMBCHBVITCT-KXBFYZLASA-N 2 2 334.504 3.432 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1O ZINC000448352509 310002454 /nfs/dbraw/zinc/00/24/54/310002454.db2.gz DGNXMBCHBVITCT-KXBFYZLASA-N 2 2 334.504 3.432 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449032278 310031147 /nfs/dbraw/zinc/03/11/47/310031147.db2.gz WUHDMCBJUDMSKR-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000449032278 310031148 /nfs/dbraw/zinc/03/11/48/310031148.db2.gz WUHDMCBJUDMSKR-KRWDZBQOSA-N 2 2 342.487 3.045 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C[C@H](C)O1 ZINC000449070944 310034477 /nfs/dbraw/zinc/03/44/77/310034477.db2.gz GEVWPTAAYQUDEB-IYBDPMFKSA-N 2 2 343.446 3.120 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3F)cc2)C[C@H](C)O1 ZINC000449070944 310034478 /nfs/dbraw/zinc/03/44/78/310034478.db2.gz GEVWPTAAYQUDEB-IYBDPMFKSA-N 2 2 343.446 3.120 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000449109717 310037905 /nfs/dbraw/zinc/03/79/05/310037905.db2.gz XUOTZPYIUJEEGW-GJZGRUSLSA-N 2 2 345.512 3.351 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccncc1F ZINC000449189018 310043361 /nfs/dbraw/zinc/04/33/61/310043361.db2.gz TYMPEHFUTOIJQE-HOTGVXAUSA-N 2 2 327.447 3.467 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449211256 310044915 /nfs/dbraw/zinc/04/49/15/310044915.db2.gz RTIRELMVMRVIEO-QFBILLFUSA-N 2 2 329.488 3.298 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cnc(CCc3ccccc3)s1)CC2 ZINC000449260797 310048320 /nfs/dbraw/zinc/04/83/20/310048320.db2.gz XWMTXOLBDGIOLF-INIZCTEOSA-N 2 2 338.480 3.229 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4C[NH2+]C[C@H]4C)cc3)[nH+]c12 ZINC000449328807 310054024 /nfs/dbraw/zinc/05/40/24/310054024.db2.gz GKRMKZGMUAQJLY-RHSMWYFYSA-N 2 2 334.423 3.104 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000449386830 310058107 /nfs/dbraw/zinc/05/81/07/310058107.db2.gz VGYPFAATMZCRFG-NRFANRHFSA-N 2 2 344.547 3.146 20 0 EGADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000449386830 310058108 /nfs/dbraw/zinc/05/81/08/310058108.db2.gz VGYPFAATMZCRFG-NRFANRHFSA-N 2 2 344.547 3.146 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)[C@H](CO)c3ccccc3)sc2C1 ZINC000449452451 310063201 /nfs/dbraw/zinc/06/32/01/310063201.db2.gz KXHCCBUMLFCRME-QGZVFWFLSA-N 2 2 345.512 3.075 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)[C@H](CO)c3ccccc3)sc2C1 ZINC000449452451 310063202 /nfs/dbraw/zinc/06/32/02/310063202.db2.gz KXHCCBUMLFCRME-QGZVFWFLSA-N 2 2 345.512 3.075 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@H](CO)c3ccccc3)sc2C1 ZINC000449452451 310063203 /nfs/dbraw/zinc/06/32/03/310063203.db2.gz KXHCCBUMLFCRME-QGZVFWFLSA-N 2 2 345.512 3.075 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H](CO)c3ccccc3)sc2C1 ZINC000449452451 310063204 /nfs/dbraw/zinc/06/32/04/310063204.db2.gz KXHCCBUMLFCRME-QGZVFWFLSA-N 2 2 345.512 3.075 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449480880 310065588 /nfs/dbraw/zinc/06/55/88/310065588.db2.gz PNXOQTSLHQJUHD-RLLQIKCJSA-N 2 2 328.500 3.446 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449480880 310065589 /nfs/dbraw/zinc/06/55/89/310065589.db2.gz PNXOQTSLHQJUHD-RLLQIKCJSA-N 2 2 328.500 3.446 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000449524583 310069160 /nfs/dbraw/zinc/06/91/60/310069160.db2.gz RKFDNNFOSCJXNN-UHFFFAOYSA-N 2 2 337.467 3.399 20 0 EGADLP C[C@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450314072 310114919 /nfs/dbraw/zinc/11/49/19/310114919.db2.gz AHVPPSQTUXICQY-GFCCVEGCSA-N 2 2 336.842 3.075 20 0 EGADLP CCCc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccon4)CC3)c2c1 ZINC000450358266 310117750 /nfs/dbraw/zinc/11/77/50/310117750.db2.gz RGWZXTLVJWSCCN-UHFFFAOYSA-N 2 2 336.439 3.498 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccn(CCc4ccccc4)n3)C2)[nH]1 ZINC000450570332 310130710 /nfs/dbraw/zinc/13/07/10/310130710.db2.gz PVERNBKZAFPZAZ-GOSISDBHSA-N 2 2 335.455 3.229 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccn(CCc4ccccc4)n3)C2)[nH]1 ZINC000450570332 310130711 /nfs/dbraw/zinc/13/07/11/310130711.db2.gz PVERNBKZAFPZAZ-GOSISDBHSA-N 2 2 335.455 3.229 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451475975 310180245 /nfs/dbraw/zinc/18/02/45/310180245.db2.gz DTLHXCPETAGOKL-QRVBRYPASA-N 2 2 325.456 3.474 20 0 EGADLP Cc1nc(CC[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000452108446 310212604 /nfs/dbraw/zinc/21/26/04/310212604.db2.gz DZJPSXVHPUISDD-UHFFFAOYSA-N 2 2 335.439 3.343 20 0 EGADLP Cc1nc(CC[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000452108446 310212605 /nfs/dbraw/zinc/21/26/05/310212605.db2.gz DZJPSXVHPUISDD-UHFFFAOYSA-N 2 2 335.439 3.343 20 0 EGADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000452609884 310234604 /nfs/dbraw/zinc/23/46/04/310234604.db2.gz ZVNDOEBJNXXJIZ-KBPBESRZSA-N 2 2 346.862 3.015 20 0 EGADLP CC[C@@H](C)[N@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094456 310257495 /nfs/dbraw/zinc/25/74/95/310257495.db2.gz PRDZAVYORSNQDX-RHSMWYFYSA-N 2 2 334.895 3.483 20 0 EGADLP CC[C@@H](C)[N@@H+](C)CCN[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453094456 310257496 /nfs/dbraw/zinc/25/74/96/310257496.db2.gz PRDZAVYORSNQDX-RHSMWYFYSA-N 2 2 334.895 3.483 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247191 310266487 /nfs/dbraw/zinc/26/64/87/310266487.db2.gz DOJCJMYHRLKGFT-DZGCQCFKSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(OC(F)(F)F)cc1 ZINC000453247191 310266488 /nfs/dbraw/zinc/26/64/88/310266488.db2.gz DOJCJMYHRLKGFT-DZGCQCFKSA-N 2 2 346.393 3.083 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273169 310268436 /nfs/dbraw/zinc/26/84/36/310268436.db2.gz VLDVWESXWUEVPX-DYESRHJHSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(-c2ccncc2)c1 ZINC000453273169 310268437 /nfs/dbraw/zinc/26/84/37/310268437.db2.gz VLDVWESXWUEVPX-DYESRHJHSA-N 2 2 339.483 3.246 20 0 EGADLP C[C@H]1C[C@H](CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696994 311149641 /nfs/dbraw/zinc/14/96/41/311149641.db2.gz KLYGAIRGQMGVFU-QGLKVJOYSA-N 2 2 335.580 3.407 20 0 EGADLP C[C@H]1C[C@H](CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@@H](C)C1 ZINC000490696994 311149642 /nfs/dbraw/zinc/14/96/42/311149642.db2.gz KLYGAIRGQMGVFU-QGLKVJOYSA-N 2 2 335.580 3.407 20 0 EGADLP O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492279634 311233191 /nfs/dbraw/zinc/23/31/91/311233191.db2.gz SXEVNGGCNSCFKD-RQOWECAXSA-N 2 2 329.363 3.401 20 0 EGADLP O=C(/C=C/c1ccc(F)c(F)c1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492839747 311297519 /nfs/dbraw/zinc/29/75/19/311297519.db2.gz USGPPZXNYQPGAT-DUXPYHPUSA-N 2 2 326.306 3.197 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493362780 311365583 /nfs/dbraw/zinc/36/55/83/311365583.db2.gz DUUODXFXPJIEGE-KTKRTIGZSA-N 2 2 340.471 3.361 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493362780 311365585 /nfs/dbraw/zinc/36/55/85/311365585.db2.gz DUUODXFXPJIEGE-KTKRTIGZSA-N 2 2 340.471 3.361 20 0 EGADLP CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000494710568 311506198 /nfs/dbraw/zinc/50/61/98/311506198.db2.gz LFFZQLUTPRBVFR-UHFFFAOYSA-N 2 2 344.459 3.071 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)c1cccc(OC)c1 ZINC000507463139 312073197 /nfs/dbraw/zinc/07/31/97/312073197.db2.gz RELRNKPADRLKJU-IMFGXOCKSA-N 2 2 334.504 3.483 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCOC1 ZINC000507466291 312073257 /nfs/dbraw/zinc/07/32/57/312073257.db2.gz CJKQOMYLTUDKNT-IAGOWNOFSA-N 2 2 326.550 3.143 20 0 EGADLP CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507521677 312075913 /nfs/dbraw/zinc/07/59/13/312075913.db2.gz ZUNGZSQUAXBTBW-GOEBONIOSA-N 2 2 336.442 3.444 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508789740 312102807 /nfs/dbraw/zinc/10/28/07/312102807.db2.gz PCYXVRQAULMSRU-GOSISDBHSA-N 2 2 327.472 3.429 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508789740 312102809 /nfs/dbraw/zinc/10/28/09/312102809.db2.gz PCYXVRQAULMSRU-GOSISDBHSA-N 2 2 327.472 3.429 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508860484 312103930 /nfs/dbraw/zinc/10/39/30/312103930.db2.gz PIVMOXICZLAOIP-IBGZPJMESA-N 2 2 339.483 3.429 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2conc2Cc2ccccc2)C1 ZINC000508860484 312103932 /nfs/dbraw/zinc/10/39/32/312103932.db2.gz PIVMOXICZLAOIP-IBGZPJMESA-N 2 2 339.483 3.429 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508860484 312103934 /nfs/dbraw/zinc/10/39/34/312103934.db2.gz PIVMOXICZLAOIP-IBGZPJMESA-N 2 2 339.483 3.429 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508860484 312103935 /nfs/dbraw/zinc/10/39/35/312103935.db2.gz PIVMOXICZLAOIP-IBGZPJMESA-N 2 2 339.483 3.429 20 0 EGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCc1cccs1 ZINC000509663722 312123022 /nfs/dbraw/zinc/12/30/22/312123022.db2.gz DKLQRQVKKYFQEG-UHFFFAOYSA-N 2 2 343.540 3.435 20 0 EGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCc1cccs1 ZINC000509663722 312123024 /nfs/dbraw/zinc/12/30/24/312123024.db2.gz DKLQRQVKKYFQEG-UHFFFAOYSA-N 2 2 343.540 3.435 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC[C@H]3C3CCC3)CC2)cc1 ZINC000509693580 312123738 /nfs/dbraw/zinc/12/37/38/312123738.db2.gz ADUNWUYWHWFRFV-NRFANRHFSA-N 2 2 327.516 3.463 20 0 EGADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCC[C@H]3C3CCC3)CC2)cc1 ZINC000509693580 312123741 /nfs/dbraw/zinc/12/37/41/312123741.db2.gz ADUNWUYWHWFRFV-NRFANRHFSA-N 2 2 327.516 3.463 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510736170 312147371 /nfs/dbraw/zinc/14/73/71/312147371.db2.gz QFFGWMDCRLLEOQ-HZPDHXFCSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)CCc2c(F)cccc2F)C1 ZINC000510736170 312147373 /nfs/dbraw/zinc/14/73/73/312147373.db2.gz QFFGWMDCRLLEOQ-HZPDHXFCSA-N 2 2 340.458 3.232 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000514009488 312222386 /nfs/dbraw/zinc/22/23/86/312222386.db2.gz GVQRRKDSFWILSP-OAQYLSRUSA-N 2 2 345.531 3.305 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000514009488 312222387 /nfs/dbraw/zinc/22/23/87/312222387.db2.gz GVQRRKDSFWILSP-OAQYLSRUSA-N 2 2 345.531 3.305 20 0 EGADLP COC(=O)C[C@@](C)([NH2+]CCc1cc[nH+]cc1C)c1cccc(OC)c1 ZINC000520223118 312497183 /nfs/dbraw/zinc/49/71/83/312497183.db2.gz MCMHBDVXSMSNGB-HXUWFJFHSA-N 2 2 342.439 3.009 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000087790520 454088631 /nfs/dbraw/zinc/08/86/31/454088631.db2.gz OHPYZSDANMRLHR-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000087790520 454088636 /nfs/dbraw/zinc/08/86/36/454088636.db2.gz OHPYZSDANMRLHR-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000527678347 312908918 /nfs/dbraw/zinc/90/89/18/312908918.db2.gz ZVFDKEKUTURULA-HZPDHXFCSA-N 2 2 344.833 3.086 20 0 EGADLP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000529525621 313343103 /nfs/dbraw/zinc/34/31/03/313343103.db2.gz YNKYWHCAQWCLBR-JTQLQIEISA-N 2 2 339.212 3.086 20 0 EGADLP Fc1cc(Br)cnc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000529525621 313343107 /nfs/dbraw/zinc/34/31/07/313343107.db2.gz YNKYWHCAQWCLBR-JTQLQIEISA-N 2 2 339.212 3.086 20 0 EGADLP Cc1nc2ccc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)cc2s1 ZINC000529661878 313380213 /nfs/dbraw/zinc/38/02/13/313380213.db2.gz CYVSRUMCKKVSOS-UHFFFAOYSA-N 2 2 345.512 3.291 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncccc1F ZINC000530224112 313500543 /nfs/dbraw/zinc/50/05/43/313500543.db2.gz QFRPSWRGTZMVIB-AXHNFQJDSA-N 2 2 327.403 3.127 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000070149677 454167089 /nfs/dbraw/zinc/16/70/89/454167089.db2.gz QQOSYTBVNAGQLJ-GFCCVEGCSA-N 2 2 330.259 3.135 20 0 EGADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000070149677 454167093 /nfs/dbraw/zinc/16/70/93/454167093.db2.gz QQOSYTBVNAGQLJ-GFCCVEGCSA-N 2 2 330.259 3.135 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccoc3)CC2)c1 ZINC000531945136 313734133 /nfs/dbraw/zinc/73/41/33/313734133.db2.gz WRBOREPJPUGMBF-GOSISDBHSA-N 2 2 327.472 3.451 20 0 EGADLP CCOc1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000535577015 314054280 /nfs/dbraw/zinc/05/42/80/314054280.db2.gz XSBFGDXWRWOEIX-UHFFFAOYSA-N 2 2 341.455 3.436 20 0 EGADLP Cc1cc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(C)c[nH+]1 ZINC000535774207 314072491 /nfs/dbraw/zinc/07/24/91/314072491.db2.gz UEJDJSTXZMORBF-INIZCTEOSA-N 2 2 340.471 3.371 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536698522 314139875 /nfs/dbraw/zinc/13/98/75/314139875.db2.gz PEBAVYOPJUYCPM-KRWDZBQOSA-N 2 2 339.483 3.407 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536698522 314139876 /nfs/dbraw/zinc/13/98/76/314139876.db2.gz PEBAVYOPJUYCPM-KRWDZBQOSA-N 2 2 339.483 3.407 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000536698522 314139877 /nfs/dbraw/zinc/13/98/77/314139877.db2.gz PEBAVYOPJUYCPM-KRWDZBQOSA-N 2 2 339.483 3.407 20 0 EGADLP COc1nc2ccccc2cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000536698522 314139878 /nfs/dbraw/zinc/13/98/78/314139878.db2.gz PEBAVYOPJUYCPM-KRWDZBQOSA-N 2 2 339.483 3.407 20 0 EGADLP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000540146828 314365256 /nfs/dbraw/zinc/36/52/56/314365256.db2.gz MBMFOKVJBXWFEP-NQSCKRDGSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](C)Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000540146828 314365259 /nfs/dbraw/zinc/36/52/59/314365259.db2.gz MBMFOKVJBXWFEP-NQSCKRDGSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@@H](N[C@@H]2C[N@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146828 314365262 /nfs/dbraw/zinc/36/52/62/314365262.db2.gz MBMFOKVJBXWFEP-NQSCKRDGSA-N 2 2 335.495 3.426 20 0 EGADLP C[C@@H]1C[C@@H](N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[NH+]1Cc1ccccc1 ZINC000540146828 314365264 /nfs/dbraw/zinc/36/52/64/314365264.db2.gz MBMFOKVJBXWFEP-NQSCKRDGSA-N 2 2 335.495 3.426 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548635831 315029099 /nfs/dbraw/zinc/02/90/99/315029099.db2.gz IHGRQKHQVGEZCV-RHSMWYFYSA-N 2 2 341.459 3.079 20 0 EGADLP CCc1[nH+]c2cc(C[NH2+]C3CCN(C(C)=O)CC3)ccc2n1C1CC1 ZINC000548982050 315066578 /nfs/dbraw/zinc/06/65/78/315066578.db2.gz PSMKBFGIUKJIHR-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP C[C@H](C[NH2+]Cc1conc1Cc1ccccc1)C[NH+]1CCCCC1 ZINC000550095689 315116120 /nfs/dbraw/zinc/11/61/20/315116120.db2.gz BMOZSPICMZYQCO-QGZVFWFLSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)c1 ZINC000550892905 315136976 /nfs/dbraw/zinc/13/69/76/315136976.db2.gz VGGOQNNKNVUGDU-TZIWHRDSSA-N 2 2 345.531 3.054 20 0 EGADLP CCn1c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)nc2ccccc21 ZINC000551964578 315183250 /nfs/dbraw/zinc/18/32/50/315183250.db2.gz JLINHNONEDYEGD-UHFFFAOYSA-N 2 2 332.411 3.308 20 0 EGADLP CCC[N@H+](C)[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090246 315196731 /nfs/dbraw/zinc/19/67/31/315196731.db2.gz FLSOXVPMPHLOKQ-YOEHRIQHSA-N 2 2 339.911 3.179 20 0 EGADLP CCC[N@@H+](C)[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000552090246 315196734 /nfs/dbraw/zinc/19/67/34/315196734.db2.gz FLSOXVPMPHLOKQ-YOEHRIQHSA-N 2 2 339.911 3.179 20 0 EGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C(=O)OC)cc1 ZINC000559844192 315646856 /nfs/dbraw/zinc/64/68/56/315646856.db2.gz NFWMFZRFEFXVJC-KRWDZBQOSA-N 2 2 327.428 3.247 20 0 EGADLP Cc1nc2ccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3)cc2nc1C ZINC000563478419 316027361 /nfs/dbraw/zinc/02/73/61/316027361.db2.gz WZHWQIUFLWWTIA-UHFFFAOYSA-N 2 2 344.378 3.080 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000563759759 316064661 /nfs/dbraw/zinc/06/46/61/316064661.db2.gz UEVSXAHDIBVAND-ICSRJNTNSA-N 3 2 326.488 3.306 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000563759759 316064665 /nfs/dbraw/zinc/06/46/65/316064665.db2.gz UEVSXAHDIBVAND-ICSRJNTNSA-N 3 2 326.488 3.306 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952613 316095900 /nfs/dbraw/zinc/09/59/00/316095900.db2.gz NBXIBEUJRJIOHC-GOSISDBHSA-N 2 2 342.508 3.383 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952613 316095906 /nfs/dbraw/zinc/09/59/06/316095906.db2.gz NBXIBEUJRJIOHC-GOSISDBHSA-N 2 2 342.508 3.383 20 0 EGADLP c1cnc(Oc2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328121 316136765 /nfs/dbraw/zinc/13/67/65/316136765.db2.gz BAGBQNDXFOLNEH-RBUKOAKNSA-N 2 2 338.455 3.375 20 0 EGADLP c1cnc(Oc2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000564328121 316136768 /nfs/dbraw/zinc/13/67/68/316136768.db2.gz BAGBQNDXFOLNEH-RBUKOAKNSA-N 2 2 338.455 3.375 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000564343668 316140401 /nfs/dbraw/zinc/14/04/01/316140401.db2.gz VBTMEFAVNXVOKK-LBPRGKRZSA-N 2 2 330.303 3.443 20 0 EGADLP CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000564343668 316140402 /nfs/dbraw/zinc/14/04/02/316140402.db2.gz VBTMEFAVNXVOKK-LBPRGKRZSA-N 2 2 330.303 3.443 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC[NH2+]1 ZINC000565880177 316382980 /nfs/dbraw/zinc/38/29/80/316382980.db2.gz LEMHJMMYDDYVLM-RISCZKNCSA-N 2 2 349.276 3.069 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc21 ZINC000570442109 317055664 /nfs/dbraw/zinc/05/56/64/317055664.db2.gz OLBSMVCOTFRUHK-JCURWCKSSA-N 2 2 341.842 3.180 20 0 EGADLP C[NH+](C)Cc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000570595423 317078776 /nfs/dbraw/zinc/07/87/76/317078776.db2.gz CRHAYJYEZRRHJC-UHFFFAOYSA-N 2 2 334.423 3.245 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733445 317099869 /nfs/dbraw/zinc/09/98/69/317099869.db2.gz MPTASFKYCNHHKY-CRAIPNDOSA-N 2 2 349.438 3.291 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000570733445 317099871 /nfs/dbraw/zinc/09/98/71/317099871.db2.gz MPTASFKYCNHHKY-CRAIPNDOSA-N 2 2 349.438 3.291 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000571433326 317199334 /nfs/dbraw/zinc/19/93/34/317199334.db2.gz XYGBGKVOQOGYLH-HXUWFJFHSA-N 2 2 336.435 3.115 20 0 EGADLP Cc1noc(C2CCC([NH2+]Cc3cccc(-n4cc[nH+]c4)c3)CC2)n1 ZINC000571974977 317272883 /nfs/dbraw/zinc/27/28/83/317272883.db2.gz XIVAUFMUDJDADR-UHFFFAOYSA-N 2 2 337.427 3.380 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000572522789 317351042 /nfs/dbraw/zinc/35/10/42/317351042.db2.gz LLFPQIMTRRSBTL-KFWWJZLASA-N 2 2 333.480 3.016 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C12CCC2 ZINC000174510162 323307086 /nfs/dbraw/zinc/30/70/86/323307086.db2.gz PABZPPRMLUYVPZ-MSOLQXFVSA-N 2 2 329.419 3.449 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035077 323349623 /nfs/dbraw/zinc/34/96/23/323349623.db2.gz JKOGKLLSOQLCBX-HXUWFJFHSA-N 2 2 326.488 3.238 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035077 323349625 /nfs/dbraw/zinc/34/96/25/323349625.db2.gz JKOGKLLSOQLCBX-HXUWFJFHSA-N 2 2 326.488 3.238 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035077 323349628 /nfs/dbraw/zinc/34/96/28/323349628.db2.gz JKOGKLLSOQLCBX-HXUWFJFHSA-N 2 2 326.488 3.238 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnn(Cc2ccccc2)c1 ZINC000178035077 323349631 /nfs/dbraw/zinc/34/96/31/323349631.db2.gz JKOGKLLSOQLCBX-HXUWFJFHSA-N 2 2 326.488 3.238 20 0 EGADLP CCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000182118874 323526960 /nfs/dbraw/zinc/52/69/60/323526960.db2.gz UMAWPCBDNAMWBK-CVEARBPZSA-N 2 2 349.544 3.002 20 0 EGADLP C[C@H](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)n1cc[nH+]c1 ZINC000351436192 324235009 /nfs/dbraw/zinc/23/50/09/324235009.db2.gz KBUQCBSDVPLWMU-OAHLLOKOSA-N 2 2 337.427 3.333 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000382471357 324251886 /nfs/dbraw/zinc/25/18/86/324251886.db2.gz PULIBHWCZZYCNS-FPCVCCKLSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[N@H+]1C1CC1 ZINC000382471357 324251887 /nfs/dbraw/zinc/25/18/87/324251887.db2.gz PULIBHWCZZYCNS-FPCVCCKLSA-N 2 2 337.508 3.037 20 0 EGADLP CCCC[C@@H](C(=O)OC)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332930 324256245 /nfs/dbraw/zinc/25/62/45/324256245.db2.gz OCFAQZDSYFPNCB-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383332930 324256248 /nfs/dbraw/zinc/25/62/48/324256248.db2.gz OCFAQZDSYFPNCB-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@@H](C(=O)OC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383332930 324256251 /nfs/dbraw/zinc/25/62/51/324256251.db2.gz OCFAQZDSYFPNCB-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP CCCC[C@@H](C(=O)OC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383332930 324256255 /nfs/dbraw/zinc/25/62/55/324256255.db2.gz OCFAQZDSYFPNCB-OALUTQOASA-N 2 2 332.488 3.172 20 0 EGADLP C[C@@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870870 324285481 /nfs/dbraw/zinc/28/54/81/324285481.db2.gz QHXSUVWIGHWPNY-NVXWUHKLSA-N 2 2 344.421 3.190 20 0 EGADLP C[C@@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870870 324285483 /nfs/dbraw/zinc/28/54/83/324285483.db2.gz QHXSUVWIGHWPNY-NVXWUHKLSA-N 2 2 344.421 3.190 20 0 EGADLP COc1ccc2oc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000579127989 325067742 /nfs/dbraw/zinc/06/77/42/325067742.db2.gz LVVRHOIPORJNCF-QGZVFWFLSA-N 2 2 344.455 3.128 20 0 EGADLP COc1ccc2oc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2c1 ZINC000579127989 325067744 /nfs/dbraw/zinc/06/77/44/325067744.db2.gz LVVRHOIPORJNCF-QGZVFWFLSA-N 2 2 344.455 3.128 20 0 EGADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000579223516 325079645 /nfs/dbraw/zinc/07/96/45/325079645.db2.gz QYIIWNMDTLZLPU-INIZCTEOSA-N 2 2 340.427 3.432 20 0 EGADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000579223516 325079647 /nfs/dbraw/zinc/07/96/47/325079647.db2.gz QYIIWNMDTLZLPU-INIZCTEOSA-N 2 2 340.427 3.432 20 0 EGADLP CC(C)c1[nH+]c(C[NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)c2ccccn21 ZINC000579482528 325116511 /nfs/dbraw/zinc/11/65/11/325116511.db2.gz WMRIHYDMTFZTTM-HOTGVXAUSA-N 2 2 342.487 3.337 20 0 EGADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646957 325277938 /nfs/dbraw/zinc/27/79/38/325277938.db2.gz SCMGXTXMGNMFGY-QZTJIDSGSA-N 2 2 347.547 3.022 20 0 EGADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(C1CCCCC1)C1CCCCC1 ZINC000580646957 325277940 /nfs/dbraw/zinc/27/79/40/325277940.db2.gz SCMGXTXMGNMFGY-QZTJIDSGSA-N 2 2 347.547 3.022 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383228 /nfs/dbraw/zinc/38/32/28/325383228.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383230 /nfs/dbraw/zinc/38/32/30/325383230.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383232 /nfs/dbraw/zinc/38/32/32/325383232.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000581696546 325383234 /nfs/dbraw/zinc/38/32/34/325383234.db2.gz PXIMPWUNAQFMQT-FYZZASKESA-N 3 2 329.532 3.215 20 0 EGADLP Oc1cccnc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851534 325392903 /nfs/dbraw/zinc/39/29/03/325392903.db2.gz QXZFDOQCFVLWCR-ICSRJNTNSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000581851534 325392906 /nfs/dbraw/zinc/39/29/06/325392906.db2.gz QXZFDOQCFVLWCR-ICSRJNTNSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000581851534 325392908 /nfs/dbraw/zinc/39/29/08/325392908.db2.gz QXZFDOQCFVLWCR-ICSRJNTNSA-N 2 2 337.467 3.274 20 0 EGADLP Oc1cccnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581851534 325392910 /nfs/dbraw/zinc/39/29/10/325392910.db2.gz QXZFDOQCFVLWCR-ICSRJNTNSA-N 2 2 337.467 3.274 20 0 EGADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000583389627 325519750 /nfs/dbraw/zinc/51/97/50/325519750.db2.gz SBVCPXIGSVMGOA-UHFFFAOYSA-N 2 2 347.890 3.213 20 0 EGADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1nccn1C ZINC000183128738 455235371 /nfs/dbraw/zinc/23/53/71/455235371.db2.gz IAWKCLSRBLOOGR-ULQDDVLXSA-N 2 2 326.488 3.227 20 0 EGADLP CCS[C@H](C)c1noc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000531968237 459010006 /nfs/dbraw/zinc/01/00/06/459010006.db2.gz GIQCXTSSFOKJQU-CQSZACIVSA-N 2 2 340.537 3.436 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000173432988 455282436 /nfs/dbraw/zinc/28/24/36/455282436.db2.gz NCZCKEABRKKIBW-UONOGXRCSA-N 2 2 330.394 3.324 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448058 455304179 /nfs/dbraw/zinc/30/41/79/455304179.db2.gz MPABYVBODXGSLL-ICSRJNTNSA-N 2 2 347.547 3.189 20 0 EGADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448058 455304182 /nfs/dbraw/zinc/30/41/82/455304182.db2.gz MPABYVBODXGSLL-ICSRJNTNSA-N 2 2 347.547 3.189 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245450854 455304532 /nfs/dbraw/zinc/30/45/32/455304532.db2.gz PALMVAZUNXRGLT-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245450854 455304538 /nfs/dbraw/zinc/30/45/38/455304538.db2.gz PALMVAZUNXRGLT-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631822248 460573865 /nfs/dbraw/zinc/57/38/65/460573865.db2.gz XUBCRXDYMRJBNT-LBPRGKRZSA-N 2 2 339.361 3.402 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)C1 ZINC000631822248 460573868 /nfs/dbraw/zinc/57/38/68/460573868.db2.gz XUBCRXDYMRJBNT-LBPRGKRZSA-N 2 2 339.361 3.402 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@H](C[NH3+])C3CCCCC3)co2)c1 ZINC000631827180 460574756 /nfs/dbraw/zinc/57/47/56/460574756.db2.gz HJOXOHBLXTVKDG-GOSISDBHSA-N 2 2 329.444 3.347 20 0 EGADLP Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)co2)cc1F ZINC000631889673 460590145 /nfs/dbraw/zinc/59/01/45/460590145.db2.gz LEWWHHWWBFZOJT-GUYCJALGSA-N 2 2 333.382 3.194 20 0 EGADLP Fc1ccc(-c2nc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)co2)cc1F ZINC000631889673 460590152 /nfs/dbraw/zinc/59/01/52/460590152.db2.gz LEWWHHWWBFZOJT-GUYCJALGSA-N 2 2 333.382 3.194 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686211 455355785 /nfs/dbraw/zinc/35/57/85/455355785.db2.gz AIMUJOCONDXHCF-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686211 455355789 /nfs/dbraw/zinc/35/57/89/455355789.db2.gz AIMUJOCONDXHCF-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686211 455355792 /nfs/dbraw/zinc/35/57/92/455355792.db2.gz AIMUJOCONDXHCF-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC[C@H]21 ZINC000245686211 455355798 /nfs/dbraw/zinc/35/57/98/455355798.db2.gz AIMUJOCONDXHCF-QFBILLFUSA-N 2 2 344.890 3.442 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC1CC1 ZINC000623561522 460614072 /nfs/dbraw/zinc/61/40/72/460614072.db2.gz PSWAZIJOLHIPRL-ROUUACIJSA-N 2 2 330.472 3.343 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OC1CC1 ZINC000623561522 460614079 /nfs/dbraw/zinc/61/40/79/460614079.db2.gz PSWAZIJOLHIPRL-ROUUACIJSA-N 2 2 330.472 3.343 20 0 EGADLP O=C(NCc1cn2ccccc2[nH+]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000028834441 453824941 /nfs/dbraw/zinc/82/49/41/453824941.db2.gz QJJLNPYYXIFYKK-UHFFFAOYSA-N 2 2 348.450 3.250 20 0 EGADLP O=C(C[NH+]1CCCCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000029693559 453830697 /nfs/dbraw/zinc/83/06/97/453830697.db2.gz GLKSSGWXZIYTPU-GOSISDBHSA-N 2 2 349.906 3.079 20 0 EGADLP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000029799946 453831625 /nfs/dbraw/zinc/83/16/25/453831625.db2.gz SCABKKWQXBMPTA-UHFFFAOYSA-N 2 2 349.438 3.361 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000081572746 453890096 /nfs/dbraw/zinc/89/00/96/453890096.db2.gz JFPGYIICFHZJIN-YESZJQIVSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000081572746 453890100 /nfs/dbraw/zinc/89/01/00/453890100.db2.gz JFPGYIICFHZJIN-YESZJQIVSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000081572746 453890103 /nfs/dbraw/zinc/89/01/03/453890103.db2.gz JFPGYIICFHZJIN-YESZJQIVSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000081572746 453890106 /nfs/dbraw/zinc/89/01/06/453890106.db2.gz JFPGYIICFHZJIN-YESZJQIVSA-N 2 2 349.494 3.055 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572050 453890279 /nfs/dbraw/zinc/89/02/79/453890279.db2.gz SXHHTXTUTGQDBD-HKUYNNGSSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572050 453890282 /nfs/dbraw/zinc/89/02/82/453890282.db2.gz SXHHTXTUTGQDBD-HKUYNNGSSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572050 453890285 /nfs/dbraw/zinc/89/02/85/453890285.db2.gz SXHHTXTUTGQDBD-HKUYNNGSSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000081572050 453890288 /nfs/dbraw/zinc/89/02/88/453890288.db2.gz SXHHTXTUTGQDBD-HKUYNNGSSA-N 2 2 335.536 3.045 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000075860524 453932869 /nfs/dbraw/zinc/93/28/69/453932869.db2.gz PWZMPQCMIISRRO-MSOLQXFVSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000075860524 453932870 /nfs/dbraw/zinc/93/28/70/453932870.db2.gz PWZMPQCMIISRRO-MSOLQXFVSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000075860524 453932872 /nfs/dbraw/zinc/93/28/72/453932872.db2.gz PWZMPQCMIISRRO-MSOLQXFVSA-N 2 2 331.504 3.234 20 0 EGADLP CCN(C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000075860524 453932874 /nfs/dbraw/zinc/93/28/74/453932874.db2.gz PWZMPQCMIISRRO-MSOLQXFVSA-N 2 2 331.504 3.234 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686980 454114102 /nfs/dbraw/zinc/11/41/02/454114102.db2.gz XPIYVKMQFVQZBV-CMPLNLGQSA-N 2 2 327.241 3.476 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)c(Br)c1 ZINC000044686980 454114100 /nfs/dbraw/zinc/11/41/00/454114100.db2.gz XPIYVKMQFVQZBV-CMPLNLGQSA-N 2 2 327.241 3.476 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000069833365 454151064 /nfs/dbraw/zinc/15/10/64/454151064.db2.gz HVZSXBVPEMXLNZ-HUUCEWRRSA-N 2 2 345.512 3.351 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c2cccc(F)c2[nH+]1 ZINC000089603255 454166881 /nfs/dbraw/zinc/16/68/81/454166881.db2.gz DKMVACQXIABQBA-OAHLLOKOSA-N 2 2 329.419 3.348 20 0 EGADLP c1c(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH+]c2ccccn12 ZINC000130551401 454205299 /nfs/dbraw/zinc/20/52/99/454205299.db2.gz JWFGQLQLGVXBNJ-UHFFFAOYSA-N 3 2 326.488 3.264 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000095955982 454238469 /nfs/dbraw/zinc/23/84/69/454238469.db2.gz BGAACUFYVDDXEW-GFCCVEGCSA-N 2 2 329.429 3.393 20 0 EGADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000119950757 454240157 /nfs/dbraw/zinc/24/01/57/454240157.db2.gz PWFNEUQQNDCTBX-ZNMIVQPWSA-N 2 2 333.501 3.446 20 0 EGADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnc2ccsc2c1 ZINC000119950757 454240161 /nfs/dbraw/zinc/24/01/61/454240161.db2.gz PWFNEUQQNDCTBX-ZNMIVQPWSA-N 2 2 333.501 3.446 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000090004073 454261017 /nfs/dbraw/zinc/26/10/17/454261017.db2.gz HQSGCPZDCBSFAN-OAHLLOKOSA-N 2 2 343.475 3.306 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000090004073 454261021 /nfs/dbraw/zinc/26/10/21/454261021.db2.gz HQSGCPZDCBSFAN-OAHLLOKOSA-N 2 2 343.475 3.306 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000634961750 460630926 /nfs/dbraw/zinc/63/09/26/460630926.db2.gz CMECQYJFEHCCIC-LJQANCHMSA-N 2 2 332.451 3.384 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000634961750 460630930 /nfs/dbraw/zinc/63/09/30/460630930.db2.gz CMECQYJFEHCCIC-LJQANCHMSA-N 2 2 332.451 3.384 20 0 EGADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047433 454266452 /nfs/dbraw/zinc/26/64/52/454266452.db2.gz ICHCUXHOBVTXBF-HKUYNNGSSA-N 2 2 332.488 3.218 20 0 EGADLP CCOCCC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000090456979 454308088 /nfs/dbraw/zinc/30/80/88/454308088.db2.gz ALWSNNCRNLUAON-UHFFFAOYSA-N 2 2 331.504 3.233 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000061623960 454350174 /nfs/dbraw/zinc/35/01/74/454350174.db2.gz AVCAUKIMCHMMCI-HXUWFJFHSA-N 2 2 348.450 3.100 20 0 EGADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000097139239 454414206 /nfs/dbraw/zinc/41/42/06/454414206.db2.gz XPNMXZOBQKIOPP-KRWDZBQOSA-N 2 2 329.492 3.098 20 0 EGADLP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000097139239 454414209 /nfs/dbraw/zinc/41/42/09/454414209.db2.gz XPNMXZOBQKIOPP-KRWDZBQOSA-N 2 2 329.492 3.098 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000091666182 454454706 /nfs/dbraw/zinc/45/47/06/454454706.db2.gz PPVPCMYKHVARPJ-QJPTWQEYSA-N 2 2 345.306 3.024 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)s1 ZINC000091666182 454454709 /nfs/dbraw/zinc/45/47/09/454454709.db2.gz PPVPCMYKHVARPJ-QJPTWQEYSA-N 2 2 345.306 3.024 20 0 EGADLP Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)nc(C)[nH+]1 ZINC000133738607 454461039 /nfs/dbraw/zinc/46/10/39/454461039.db2.gz VFSSJZGRAJOHES-WMZOPIPTSA-N 2 2 346.862 3.231 20 0 EGADLP Cc1cc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)nc(C)[nH+]1 ZINC000133738607 454461046 /nfs/dbraw/zinc/46/10/46/454461046.db2.gz VFSSJZGRAJOHES-WMZOPIPTSA-N 2 2 346.862 3.231 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143792 454461631 /nfs/dbraw/zinc/46/16/31/454461631.db2.gz KDTDGGXCXCOJIC-RDTXWAMCSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000098143792 454461635 /nfs/dbraw/zinc/46/16/35/454461635.db2.gz KDTDGGXCXCOJIC-RDTXWAMCSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000101586890 454476130 /nfs/dbraw/zinc/47/61/30/454476130.db2.gz GELHWZQQAOQZJN-PXNSSMCTSA-N 2 2 337.467 3.440 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000101586890 454476134 /nfs/dbraw/zinc/47/61/34/454476134.db2.gz GELHWZQQAOQZJN-PXNSSMCTSA-N 2 2 337.467 3.440 20 0 EGADLP CCn1cc[nH+]c1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000102181991 454495564 /nfs/dbraw/zinc/49/55/64/454495564.db2.gz BGLWBUGYBUBAPC-UHFFFAOYSA-N 2 2 334.467 3.374 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000123076589 454599271 /nfs/dbraw/zinc/59/92/71/454599271.db2.gz IVHQOVRAPQYZFG-UHFFFAOYSA-N 2 2 343.862 3.188 20 0 EGADLP Cc1ccccc1C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051114743 454609591 /nfs/dbraw/zinc/60/95/91/454609591.db2.gz HVAJGGLYNKJHOC-LJQANCHMSA-N 2 2 337.467 3.454 20 0 EGADLP Cc1ccccc1C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051114743 454609595 /nfs/dbraw/zinc/60/95/95/454609595.db2.gz HVAJGGLYNKJHOC-LJQANCHMSA-N 2 2 337.467 3.454 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)[C@@H]1OC ZINC000092768443 454629771 /nfs/dbraw/zinc/62/97/71/454629771.db2.gz DTXFWIFYNPZXFV-AHRSYUTCSA-N 2 2 345.531 3.475 20 0 EGADLP COC(=O)[C@@H](c1ccccc1F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123522540 454647862 /nfs/dbraw/zinc/64/78/62/454647862.db2.gz RORAYHDHBIOEIA-GOSISDBHSA-N 2 2 336.451 3.094 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080933639 454650731 /nfs/dbraw/zinc/65/07/31/454650731.db2.gz FXCYTHYRHLVTDU-AEFFLSMTSA-N 2 2 340.471 3.083 20 0 EGADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080933639 454650733 /nfs/dbraw/zinc/65/07/33/454650733.db2.gz FXCYTHYRHLVTDU-AEFFLSMTSA-N 2 2 340.471 3.083 20 0 EGADLP C[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969028 454661980 /nfs/dbraw/zinc/66/19/80/454661980.db2.gz AZGGROVFKLQWCV-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969028 454661984 /nfs/dbraw/zinc/66/19/84/454661984.db2.gz AZGGROVFKLQWCV-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP Cc1cc2cc(C[NH+]3CCC([N@H+](C)CCCO)CC3)oc2cc1C ZINC000093412882 454712137 /nfs/dbraw/zinc/71/21/37/454712137.db2.gz LIAACRJIESABDK-UHFFFAOYSA-N 2 2 330.472 3.328 20 0 EGADLP Cc1cc2cc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)oc2cc1C ZINC000093412882 454712141 /nfs/dbraw/zinc/71/21/41/454712141.db2.gz LIAACRJIESABDK-UHFFFAOYSA-N 2 2 330.472 3.328 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000106801932 454720789 /nfs/dbraw/zinc/72/07/89/454720789.db2.gz HRCGXNJYGDKBLO-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000106801932 454720791 /nfs/dbraw/zinc/72/07/91/454720791.db2.gz HRCGXNJYGDKBLO-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000106801932 454720793 /nfs/dbraw/zinc/72/07/93/454720793.db2.gz HRCGXNJYGDKBLO-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000106801932 454720795 /nfs/dbraw/zinc/72/07/95/454720795.db2.gz HRCGXNJYGDKBLO-CABCVRRESA-N 2 2 337.895 3.249 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000161795457 454724487 /nfs/dbraw/zinc/72/44/87/454724487.db2.gz IOUDAQNYSZVOPJ-FPOVZHCZSA-N 3 2 344.547 3.004 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000161795457 454724492 /nfs/dbraw/zinc/72/44/92/454724492.db2.gz IOUDAQNYSZVOPJ-FPOVZHCZSA-N 3 2 344.547 3.004 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742092 454731557 /nfs/dbraw/zinc/73/15/57/454731557.db2.gz SZEQCOLYNCPXMB-MRXNPFEDSA-N 2 2 327.472 3.407 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742092 454731559 /nfs/dbraw/zinc/73/15/59/454731559.db2.gz SZEQCOLYNCPXMB-MRXNPFEDSA-N 2 2 327.472 3.407 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742092 454731562 /nfs/dbraw/zinc/73/15/62/454731562.db2.gz SZEQCOLYNCPXMB-MRXNPFEDSA-N 2 2 327.472 3.407 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000093742092 454731565 /nfs/dbraw/zinc/73/15/65/454731565.db2.gz SZEQCOLYNCPXMB-MRXNPFEDSA-N 2 2 327.472 3.407 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000136350738 454736575 /nfs/dbraw/zinc/73/65/75/454736575.db2.gz QMDODYONPVYVOW-ZHACJKMWSA-N 2 2 326.444 3.397 20 0 EGADLP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1F ZINC000153191103 454768613 /nfs/dbraw/zinc/76/86/13/454768613.db2.gz BRRHLLFGNMBWJY-KGLIPLIRSA-N 2 2 326.481 3.167 20 0 EGADLP CC(C)CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124861310 454776972 /nfs/dbraw/zinc/77/69/72/454776972.db2.gz YMAXYKRSGRHPCX-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP CC(C)CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124861310 454776976 /nfs/dbraw/zinc/77/69/76/454776976.db2.gz YMAXYKRSGRHPCX-RTBURBONSA-N 2 2 337.552 3.218 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000153742870 454827729 /nfs/dbraw/zinc/82/77/29/454827729.db2.gz CPOAEZMSDVHCRF-ZDUSSCGKSA-N 2 2 329.282 3.068 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000153742870 454827735 /nfs/dbraw/zinc/82/77/35/454827735.db2.gz CPOAEZMSDVHCRF-ZDUSSCGKSA-N 2 2 329.282 3.068 20 0 EGADLP CN(C)C(=O)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000140587532 454822564 /nfs/dbraw/zinc/82/25/64/454822564.db2.gz FZJNKDHMJWFHHX-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796145 454837075 /nfs/dbraw/zinc/83/70/75/454837075.db2.gz LESBHGYBXGYVOU-AWEZNQCLSA-N 2 2 344.484 3.269 20 0 EGADLP FC(F)(F)c1csc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000163374915 454842984 /nfs/dbraw/zinc/84/29/84/454842984.db2.gz QEULRXZLNKFFMW-LLVKDONJSA-N 2 2 330.379 3.238 20 0 EGADLP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000163374915 454842985 /nfs/dbraw/zinc/84/29/85/454842985.db2.gz QEULRXZLNKFFMW-LLVKDONJSA-N 2 2 330.379 3.238 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163785696 454865044 /nfs/dbraw/zinc/86/50/44/454865044.db2.gz FOWJITZMLSIALP-KRWDZBQOSA-N 3 2 342.487 3.175 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150855217 454902683 /nfs/dbraw/zinc/90/26/83/454902683.db2.gz XCCHEDUWEAQXOE-JKSUJKDBSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150855217 454902688 /nfs/dbraw/zinc/90/26/88/454902688.db2.gz XCCHEDUWEAQXOE-JKSUJKDBSA-N 2 2 349.906 3.393 20 0 EGADLP CC[N@H+](CCc1c(C)noc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000166204741 454908150 /nfs/dbraw/zinc/90/81/50/454908150.db2.gz YUVRSEHRRXDPEJ-UHFFFAOYSA-N 2 2 342.487 3.467 20 0 EGADLP CC[N@@H+](CCc1c(C)noc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000166204741 454908153 /nfs/dbraw/zinc/90/81/53/454908153.db2.gz YUVRSEHRRXDPEJ-UHFFFAOYSA-N 2 2 342.487 3.467 20 0 EGADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cncs1 ZINC000126694767 454912484 /nfs/dbraw/zinc/91/24/84/454912484.db2.gz LWWIKTPAOTXKSI-ZIAGYGMSSA-N 2 2 348.491 3.446 20 0 EGADLP CCCCNC(=O)C1([NH2+]Cc2c[nH+]c3c(C)cccn23)CCCCC1 ZINC000154637022 454914705 /nfs/dbraw/zinc/91/47/05/454914705.db2.gz HDHYNMDVUDXKRL-UHFFFAOYSA-N 2 2 342.487 3.352 20 0 EGADLP COC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000151140410 454943289 /nfs/dbraw/zinc/94/32/89/454943289.db2.gz UKLZJSPITCWKKP-OAHLLOKOSA-N 2 2 327.350 3.269 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114198292 454946593 /nfs/dbraw/zinc/94/65/93/454946593.db2.gz KEPDFDNIQOZTGT-HNNXBMFYSA-N 2 2 332.879 3.218 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114198292 454946595 /nfs/dbraw/zinc/94/65/95/454946595.db2.gz KEPDFDNIQOZTGT-HNNXBMFYSA-N 2 2 332.879 3.218 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1Cl ZINC000114198868 454946914 /nfs/dbraw/zinc/94/69/14/454946914.db2.gz UDWJOPKTNJOOEY-CYBMUJFWSA-N 2 2 348.874 3.392 20 0 EGADLP CCc1cc2oc(=O)cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1Cl ZINC000114198868 454946916 /nfs/dbraw/zinc/94/69/16/454946916.db2.gz UDWJOPKTNJOOEY-CYBMUJFWSA-N 2 2 348.874 3.392 20 0 EGADLP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000170643388 454947433 /nfs/dbraw/zinc/94/74/33/454947433.db2.gz OUDMKWLHLGRLRE-WDSOQIARSA-N 2 2 339.439 3.178 20 0 EGADLP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000170643388 454947435 /nfs/dbraw/zinc/94/74/35/454947435.db2.gz OUDMKWLHLGRLRE-WDSOQIARSA-N 2 2 339.439 3.178 20 0 EGADLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)c1cccs1 ZINC000155102269 454963029 /nfs/dbraw/zinc/96/30/29/454963029.db2.gz QGKDXZALSLHOQU-SFHVURJKSA-N 2 2 344.528 3.000 20 0 EGADLP Cn1c2ccccc2[nH+]c1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000178807912 454979069 /nfs/dbraw/zinc/97/90/69/454979069.db2.gz GDRBZNFROUBNQP-UHFFFAOYSA-N 2 2 336.439 3.018 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1N(C)C ZINC000179402218 455044579 /nfs/dbraw/zinc/04/45/79/455044579.db2.gz OUXBUWZHZQRUCT-KRWDZBQOSA-N 2 2 338.499 3.463 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000155792696 455046387 /nfs/dbraw/zinc/04/63/87/455046387.db2.gz CSACMZNZVKTMPW-UHFFFAOYSA-N 2 2 341.902 3.373 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000155792696 455046392 /nfs/dbraw/zinc/04/63/92/455046392.db2.gz CSACMZNZVKTMPW-UHFFFAOYSA-N 2 2 341.902 3.373 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000179884453 455094155 /nfs/dbraw/zinc/09/41/55/455094155.db2.gz HPYAWXJXNSHJLT-SFHVURJKSA-N 2 2 326.488 3.278 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4nccn43)C2)CC1 ZINC000179884453 455094160 /nfs/dbraw/zinc/09/41/60/455094160.db2.gz HPYAWXJXNSHJLT-SFHVURJKSA-N 2 2 326.488 3.278 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000179884453 455094163 /nfs/dbraw/zinc/09/41/63/455094163.db2.gz HPYAWXJXNSHJLT-SFHVURJKSA-N 2 2 326.488 3.278 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129382496 455109713 /nfs/dbraw/zinc/10/97/13/455109713.db2.gz KQBCXPAXZGVMJL-HNAYVOBHSA-N 2 2 342.487 3.477 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000129382496 455109717 /nfs/dbraw/zinc/10/97/17/455109717.db2.gz KQBCXPAXZGVMJL-HNAYVOBHSA-N 2 2 342.487 3.477 20 0 EGADLP COc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152444076 455120724 /nfs/dbraw/zinc/12/07/24/455120724.db2.gz KIPGHHJCINZDEG-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152444076 455120726 /nfs/dbraw/zinc/12/07/26/455120726.db2.gz KIPGHHJCINZDEG-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152444076 455120728 /nfs/dbraw/zinc/12/07/28/455120728.db2.gz KIPGHHJCINZDEG-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP COc1ccc(Br)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152444076 455120730 /nfs/dbraw/zinc/12/07/30/455120730.db2.gz KIPGHHJCINZDEG-ZDUSSCGKSA-N 2 2 341.293 3.231 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129786051 455126114 /nfs/dbraw/zinc/12/61/14/455126114.db2.gz NBZREZWKNWYAKM-SQNIBIBYSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129786051 455126119 /nfs/dbraw/zinc/12/61/19/455126119.db2.gz NBZREZWKNWYAKM-SQNIBIBYSA-N 2 2 334.508 3.097 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000156953050 455158474 /nfs/dbraw/zinc/15/84/74/455158474.db2.gz HXCXXJZYZPWEGE-PXNSSMCTSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn3cccnc3n2)CC[N@H+]1Cc1ccccc1 ZINC000156953050 455158475 /nfs/dbraw/zinc/15/84/75/455158475.db2.gz HXCXXJZYZPWEGE-PXNSSMCTSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156953050 455158477 /nfs/dbraw/zinc/15/84/77/455158477.db2.gz HXCXXJZYZPWEGE-PXNSSMCTSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn3cccnc3n2)CC[NH+]1Cc1ccccc1 ZINC000156953050 455158479 /nfs/dbraw/zinc/15/84/79/455158479.db2.gz HXCXXJZYZPWEGE-PXNSSMCTSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1)C[NH+]1CCOCC1 ZINC000157130045 455166478 /nfs/dbraw/zinc/16/64/78/455166478.db2.gz MZYNSIWSXOVIFP-IRXDYDNUSA-N 2 2 334.504 3.483 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OCc1ccccc1 ZINC000237278417 455167508 /nfs/dbraw/zinc/16/75/08/455167508.db2.gz DEEKGOKJZJKFFZ-LJQANCHMSA-N 2 2 340.467 3.458 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OCc1ccccc1 ZINC000237278417 455167511 /nfs/dbraw/zinc/16/75/11/455167511.db2.gz DEEKGOKJZJKFFZ-LJQANCHMSA-N 2 2 340.467 3.458 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258938 455177660 /nfs/dbraw/zinc/17/76/60/455177660.db2.gz CEPOQINTSKMPHR-HKUYNNGSSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258938 455177661 /nfs/dbraw/zinc/17/76/61/455177661.db2.gz CEPOQINTSKMPHR-HKUYNNGSSA-N 2 2 335.536 3.022 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237368075 455177858 /nfs/dbraw/zinc/17/78/58/455177858.db2.gz URJIWEMJYNXVTD-SOLBZPMBSA-N 2 2 340.471 3.075 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180486253 455179569 /nfs/dbraw/zinc/17/95/69/455179569.db2.gz BZBTYLWREBMPAS-CQSZACIVSA-N 2 2 332.517 3.437 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000180486253 455179571 /nfs/dbraw/zinc/17/95/71/455179571.db2.gz BZBTYLWREBMPAS-CQSZACIVSA-N 2 2 332.517 3.437 20 0 EGADLP C[C@H](CC[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237462792 455187072 /nfs/dbraw/zinc/18/70/72/455187072.db2.gz YZLBHRPDIAGXFO-XMSQKQJNSA-N 2 2 338.495 3.189 20 0 EGADLP C[C@H](CC[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237462792 455187076 /nfs/dbraw/zinc/18/70/76/455187076.db2.gz YZLBHRPDIAGXFO-XMSQKQJNSA-N 2 2 338.495 3.189 20 0 EGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)o1 ZINC000237579476 455196633 /nfs/dbraw/zinc/19/66/33/455196633.db2.gz IAGMVZFXIYDRDX-OAHLLOKOSA-N 2 2 346.446 3.452 20 0 EGADLP CCc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000264362305 455197691 /nfs/dbraw/zinc/19/76/91/455197691.db2.gz BVKLSAXOHNPHDL-MRXNPFEDSA-N 2 2 337.427 3.409 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414885 455292099 /nfs/dbraw/zinc/29/20/99/455292099.db2.gz CTISHSNLOSYSBY-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414885 455292100 /nfs/dbraw/zinc/29/21/00/455292100.db2.gz CTISHSNLOSYSBY-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414885 455292105 /nfs/dbraw/zinc/29/21/05/455292105.db2.gz CTISHSNLOSYSBY-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000245414885 455292106 /nfs/dbraw/zinc/29/21/06/455292106.db2.gz CTISHSNLOSYSBY-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439492 455300463 /nfs/dbraw/zinc/30/04/63/455300463.db2.gz SXHHTXTUTGQDBD-MJGOQNOKSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439492 455300466 /nfs/dbraw/zinc/30/04/66/455300466.db2.gz SXHHTXTUTGQDBD-MJGOQNOKSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439492 455300468 /nfs/dbraw/zinc/30/04/68/455300468.db2.gz SXHHTXTUTGQDBD-MJGOQNOKSA-N 2 2 335.536 3.045 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCC2=CCCCC2)C1 ZINC000245439492 455300470 /nfs/dbraw/zinc/30/04/70/455300470.db2.gz SXHHTXTUTGQDBD-MJGOQNOKSA-N 2 2 335.536 3.045 20 0 EGADLP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000181679358 455371136 /nfs/dbraw/zinc/37/11/36/455371136.db2.gz PEBYZQVNTMBXEZ-LJQANCHMSA-N 2 2 349.563 3.221 20 0 EGADLP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000181679358 455371139 /nfs/dbraw/zinc/37/11/39/455371139.db2.gz PEBYZQVNTMBXEZ-LJQANCHMSA-N 2 2 349.563 3.221 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176749 455441809 /nfs/dbraw/zinc/44/18/09/455441809.db2.gz JUAWPKJOGLBOIS-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176749 455441814 /nfs/dbraw/zinc/44/18/14/455441814.db2.gz JUAWPKJOGLBOIS-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176749 455441819 /nfs/dbraw/zinc/44/18/19/455441819.db2.gz JUAWPKJOGLBOIS-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000246176749 455441821 /nfs/dbraw/zinc/44/18/21/455441821.db2.gz JUAWPKJOGLBOIS-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188362 455444291 /nfs/dbraw/zinc/44/42/91/455444291.db2.gz LSWGIOHGDJWQQV-CABCVRRESA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246188362 455444295 /nfs/dbraw/zinc/44/42/95/455444295.db2.gz LSWGIOHGDJWQQV-CABCVRRESA-N 2 2 335.879 3.085 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000246224916 455452272 /nfs/dbraw/zinc/45/22/72/455452272.db2.gz REZSQGALKBBJHR-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000246224916 455452275 /nfs/dbraw/zinc/45/22/75/455452275.db2.gz REZSQGALKBBJHR-MSOLQXFVSA-N 2 2 329.488 3.048 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000246276541 455462457 /nfs/dbraw/zinc/46/24/57/455462457.db2.gz BCYOGDHVJAFAAQ-WMLDXEAASA-N 2 2 342.512 3.416 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nc(C2CC2)cs1 ZINC000246276541 455462462 /nfs/dbraw/zinc/46/24/62/455462462.db2.gz BCYOGDHVJAFAAQ-WMLDXEAASA-N 2 2 342.512 3.416 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000246345148 455473848 /nfs/dbraw/zinc/47/38/48/455473848.db2.gz HDRNGVAEJLZWJB-FASAQXTFSA-N 2 2 338.442 3.383 20 0 EGADLP Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000191601430 455502540 /nfs/dbraw/zinc/50/25/40/455502540.db2.gz PEVIASXXJVERIU-XLIONFOSSA-N 2 2 335.451 3.435 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837348 455525319 /nfs/dbraw/zinc/52/53/19/455525319.db2.gz USKWVRDVHMKFST-JXFKEZNVSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837348 455525321 /nfs/dbraw/zinc/52/53/21/455525321.db2.gz USKWVRDVHMKFST-JXFKEZNVSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246837717 455529269 /nfs/dbraw/zinc/52/92/69/455529269.db2.gz OONSCMPWWAHJJJ-YSDSKTICSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246837717 455529270 /nfs/dbraw/zinc/52/92/70/455529270.db2.gz OONSCMPWWAHJJJ-YSDSKTICSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246837717 455529272 /nfs/dbraw/zinc/52/92/72/455529272.db2.gz OONSCMPWWAHJJJ-YSDSKTICSA-N 2 2 347.547 3.019 20 0 EGADLP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCCn1cc[nH+]c1 ZINC000182775396 455584454 /nfs/dbraw/zinc/58/44/54/455584454.db2.gz YTHHJETUPYCSMK-UHFFFAOYSA-N 2 2 341.434 3.367 20 0 EGADLP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCCn1cc[nH+]c1 ZINC000182775396 455584459 /nfs/dbraw/zinc/58/44/59/455584459.db2.gz YTHHJETUPYCSMK-UHFFFAOYSA-N 2 2 341.434 3.367 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277621691 455617064 /nfs/dbraw/zinc/61/70/64/455617064.db2.gz XDGUCLIOYUNLIU-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277621691 455617070 /nfs/dbraw/zinc/61/70/70/455617070.db2.gz XDGUCLIOYUNLIU-AWEZNQCLSA-N 2 2 341.293 3.374 20 0 EGADLP c1cn(-c2ccccc2C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c[nH+]1 ZINC000292287296 455619057 /nfs/dbraw/zinc/61/90/57/455619057.db2.gz VATPHZYOULRTJG-GOSISDBHSA-N 2 2 336.443 3.402 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247885164 455652412 /nfs/dbraw/zinc/65/24/12/455652412.db2.gz CUNBTAFJABJBHQ-AEFFLSMTSA-N 2 2 327.472 3.242 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3n2)C1 ZINC000247885164 455652419 /nfs/dbraw/zinc/65/24/19/455652419.db2.gz CUNBTAFJABJBHQ-AEFFLSMTSA-N 2 2 327.472 3.242 20 0 EGADLP C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277900514 455702743 /nfs/dbraw/zinc/70/27/43/455702743.db2.gz UIVGEHRLIJOHGO-OCCSQVGLSA-N 2 2 331.851 3.035 20 0 EGADLP C[C@@H](Nc1nc[nH+]c(N)c1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277900514 455702749 /nfs/dbraw/zinc/70/27/49/455702749.db2.gz UIVGEHRLIJOHGO-OCCSQVGLSA-N 2 2 331.851 3.035 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617822 455713350 /nfs/dbraw/zinc/71/33/50/455713350.db2.gz MNTODAQWNVUSKL-HOCLYGCPSA-N 2 2 334.460 3.243 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)oc1C ZINC000292617822 455713354 /nfs/dbraw/zinc/71/33/54/455713354.db2.gz MNTODAQWNVUSKL-HOCLYGCPSA-N 2 2 334.460 3.243 20 0 EGADLP CO[C@]1(C)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667636 455722494 /nfs/dbraw/zinc/72/24/94/455722494.db2.gz GRQUKFYFIDZKTM-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@]1(C)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000284667636 455722496 /nfs/dbraw/zinc/72/24/96/455722496.db2.gz GRQUKFYFIDZKTM-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@]1(C)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667636 455722499 /nfs/dbraw/zinc/72/24/99/455722499.db2.gz GRQUKFYFIDZKTM-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP CO[C@]1(C)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284667636 455722503 /nfs/dbraw/zinc/72/25/03/455722503.db2.gz GRQUKFYFIDZKTM-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924651 455732094 /nfs/dbraw/zinc/73/20/94/455732094.db2.gz PQXPUBAKRYTVKJ-PZJWPPBQSA-N 2 2 341.499 3.135 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924651 455732099 /nfs/dbraw/zinc/73/20/99/455732099.db2.gz PQXPUBAKRYTVKJ-PZJWPPBQSA-N 2 2 341.499 3.135 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(Cl)c1OC ZINC000292691997 455732722 /nfs/dbraw/zinc/73/27/22/455732722.db2.gz BPJOJUYBDKUTSS-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(Cl)c1OC ZINC000292691997 455732726 /nfs/dbraw/zinc/73/27/26/455732726.db2.gz BPJOJUYBDKUTSS-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691997 455732730 /nfs/dbraw/zinc/73/27/30/455732730.db2.gz BPJOJUYBDKUTSS-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(Cl)c1OC ZINC000292691997 455732737 /nfs/dbraw/zinc/73/27/37/455732737.db2.gz BPJOJUYBDKUTSS-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@@H+]1Cc1ccccc1 ZINC000268947725 455740799 /nfs/dbraw/zinc/74/07/99/455740799.db2.gz BRFGJXQLIUQYBL-LZQZEXGQSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)C[N@H+]1Cc1ccccc1 ZINC000268947725 455740801 /nfs/dbraw/zinc/74/08/01/455740801.db2.gz BRFGJXQLIUQYBL-LZQZEXGQSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2Br)CCCO1 ZINC000278052003 455745181 /nfs/dbraw/zinc/74/51/81/455745181.db2.gz YDNTYADEELINJG-CQSZACIVSA-N 2 2 341.293 3.040 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2Br)CCCO1 ZINC000278052003 455745185 /nfs/dbraw/zinc/74/51/85/455745185.db2.gz YDNTYADEELINJG-CQSZACIVSA-N 2 2 341.293 3.040 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCc3ccccc32)CC1 ZINC000271803557 455766757 /nfs/dbraw/zinc/76/67/57/455766757.db2.gz LSKNAXLMRVJTFW-GOSISDBHSA-N 2 2 344.499 3.114 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000271830797 455778561 /nfs/dbraw/zinc/77/85/61/455778561.db2.gz QYMBQNSEWPVTBP-IAGOWNOFSA-N 2 2 332.488 3.186 20 0 EGADLP CCn1cc(CC[N@@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000285077198 455786319 /nfs/dbraw/zinc/78/63/19/455786319.db2.gz PNAMDLXOTSBHSD-SFHVURJKSA-N 2 2 337.471 3.268 20 0 EGADLP CCn1cc(CC[N@H+]2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)cn1 ZINC000285077198 455786320 /nfs/dbraw/zinc/78/63/20/455786320.db2.gz PNAMDLXOTSBHSD-SFHVURJKSA-N 2 2 337.471 3.268 20 0 EGADLP C[C@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[C@H]1[NH3+] ZINC000269180406 455805336 /nfs/dbraw/zinc/80/53/36/455805336.db2.gz DDTZZBWGFANRSU-BLLLJJGKSA-N 2 2 345.830 3.337 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Cl)c1 ZINC000285267124 455814880 /nfs/dbraw/zinc/81/48/80/455814880.db2.gz XXFVTUFKVSALPS-TZUVLKIQSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Cl)c1 ZINC000285267124 455814885 /nfs/dbraw/zinc/81/48/85/455814885.db2.gz XXFVTUFKVSALPS-TZUVLKIQSA-N 2 2 349.906 3.074 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278316458 455815997 /nfs/dbraw/zinc/81/59/97/455815997.db2.gz BSOCYHRJVPXDAT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000278316458 455816001 /nfs/dbraw/zinc/81/60/01/455816001.db2.gz BSOCYHRJVPXDAT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000252958101 455831246 /nfs/dbraw/zinc/83/12/46/455831246.db2.gz LAPXNEPYROULIH-KYOSRNDESA-N 2 2 326.893 3.234 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285554872 455868589 /nfs/dbraw/zinc/86/85/89/455868589.db2.gz RAJLKUQLGXWSSA-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285554872 455868596 /nfs/dbraw/zinc/86/85/96/455868596.db2.gz RAJLKUQLGXWSSA-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285554872 455868600 /nfs/dbraw/zinc/86/86/00/455868600.db2.gz RAJLKUQLGXWSSA-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP Cn1c2ccc(Cl)cc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285554872 455868603 /nfs/dbraw/zinc/86/86/03/455868603.db2.gz RAJLKUQLGXWSSA-YIONKMFJSA-N 2 2 332.879 3.284 20 0 EGADLP COc1cccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000272182639 455869264 /nfs/dbraw/zinc/86/92/64/455869264.db2.gz GBSZZWHAJJZWON-QAPCUYQASA-N 2 2 340.471 3.404 20 0 EGADLP O[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000285568138 455870971 /nfs/dbraw/zinc/87/09/71/455870971.db2.gz NNQBTSGBGVKVLP-MRXNPFEDSA-N 2 2 339.361 3.152 20 0 EGADLP O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000285568138 455870976 /nfs/dbraw/zinc/87/09/76/455870976.db2.gz NNQBTSGBGVKVLP-MRXNPFEDSA-N 2 2 339.361 3.152 20 0 EGADLP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000272303354 455906877 /nfs/dbraw/zinc/90/68/77/455906877.db2.gz UWRNBDGFJRNCFI-MRXNPFEDSA-N 2 2 329.444 3.208 20 0 EGADLP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000272303354 455906886 /nfs/dbraw/zinc/90/68/86/455906886.db2.gz UWRNBDGFJRNCFI-MRXNPFEDSA-N 2 2 329.444 3.208 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000296338656 455912941 /nfs/dbraw/zinc/91/29/41/455912941.db2.gz IGYLPTANIBCUMY-INIZCTEOSA-N 2 2 341.503 3.128 20 0 EGADLP CCn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000296338656 455912946 /nfs/dbraw/zinc/91/29/46/455912946.db2.gz IGYLPTANIBCUMY-INIZCTEOSA-N 2 2 341.503 3.128 20 0 EGADLP C[C@H]1COCC[C@@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000195098056 455920476 /nfs/dbraw/zinc/92/04/76/455920476.db2.gz VVOHMMBSSXJSSM-KSSFIOAISA-N 2 2 335.467 3.193 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000195104907 455922563 /nfs/dbraw/zinc/92/25/63/455922563.db2.gz MUKKSINCLXJTQJ-UZLBHIALSA-N 2 2 331.504 3.302 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](COC)C1CCOCC1)c1ccccc1 ZINC000187675332 455937434 /nfs/dbraw/zinc/93/74/34/455937434.db2.gz OFXMBUALUBAGCL-VQTJNVASSA-N 2 2 334.504 3.101 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000296482980 455950477 /nfs/dbraw/zinc/95/04/77/455950477.db2.gz PGSXFDAXCXWZII-APWZRJJASA-N 2 2 326.488 3.464 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000296482980 455950480 /nfs/dbraw/zinc/95/04/80/455950480.db2.gz PGSXFDAXCXWZII-APWZRJJASA-N 2 2 326.488 3.464 20 0 EGADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261823528 455954416 /nfs/dbraw/zinc/95/44/16/455954416.db2.gz UUQKTKUPAWAJNU-SFHVURJKSA-N 2 2 337.467 3.366 20 0 EGADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000261823528 455954419 /nfs/dbraw/zinc/95/44/19/455954419.db2.gz UUQKTKUPAWAJNU-SFHVURJKSA-N 2 2 337.467 3.366 20 0 EGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452871 455955283 /nfs/dbraw/zinc/95/52/83/455955283.db2.gz PWSAHYUSUXWQDY-RBBKRZOGSA-N 2 2 337.511 3.228 20 0 EGADLP Cc1ccc(C)c([C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452871 455955288 /nfs/dbraw/zinc/95/52/88/455955288.db2.gz PWSAHYUSUXWQDY-RBBKRZOGSA-N 2 2 337.511 3.228 20 0 EGADLP C[C@@H]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C[NH3+])C1 ZINC000261842091 455957369 /nfs/dbraw/zinc/95/73/69/455957369.db2.gz PRECYDKHKXIRNV-GDBMZVCRSA-N 2 2 325.412 3.073 20 0 EGADLP CCC[N@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000261848221 455958309 /nfs/dbraw/zinc/95/83/09/455958309.db2.gz ZPRWGGVHSMXEAB-AWEZNQCLSA-N 2 2 328.403 3.261 20 0 EGADLP CCC[N@@H+](Cc1ccc(OC(F)F)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000261848221 455958311 /nfs/dbraw/zinc/95/83/11/455958311.db2.gz ZPRWGGVHSMXEAB-AWEZNQCLSA-N 2 2 328.403 3.261 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000272534803 455985771 /nfs/dbraw/zinc/98/57/71/455985771.db2.gz BLTAVSDAINNISZ-DLBZAZTESA-N 2 2 333.476 3.216 20 0 EGADLP C[NH+]1CCC(C)(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000272538089 455986084 /nfs/dbraw/zinc/98/60/84/455986084.db2.gz OOBNENNCHOFIEU-UHFFFAOYSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1ccccc1-n1ccnn1 ZINC000286141225 455986380 /nfs/dbraw/zinc/98/63/80/455986380.db2.gz OXSWNYLDMRNOFN-OAHLLOKOSA-N 2 2 346.438 3.427 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000272534816 455986368 /nfs/dbraw/zinc/98/63/68/455986368.db2.gz BLTAVSDAINNISZ-IAGOWNOFSA-N 2 2 333.476 3.216 20 0 EGADLP COCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C)o1 ZINC000272593429 456006768 /nfs/dbraw/zinc/00/67/68/456006768.db2.gz IDHRGMCEPKNPAV-QGZVFWFLSA-N 2 2 329.444 3.319 20 0 EGADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2c(c1)OCCCO2 ZINC000271051442 456111996 /nfs/dbraw/zinc/11/19/96/456111996.db2.gz WLXCWFRSLLNHAM-UHFFFAOYSA-N 2 2 330.472 3.298 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCC[N@H+](CCCO)C3)ccc2c1 ZINC000297193926 456147044 /nfs/dbraw/zinc/14/70/44/456147044.db2.gz FPCIZNGFPPMMLO-OXQOHEQNSA-N 2 2 342.483 3.346 20 0 EGADLP COc1ccc2cc([C@@H](C)[NH2+][C@@H]3CCC[N@@H+](CCCO)C3)ccc2c1 ZINC000297193926 456147053 /nfs/dbraw/zinc/14/70/53/456147053.db2.gz FPCIZNGFPPMMLO-OXQOHEQNSA-N 2 2 342.483 3.346 20 0 EGADLP CSc1cc2c(cc1C[N@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)OCCO2 ZINC000289863731 456159102 /nfs/dbraw/zinc/15/91/02/456159102.db2.gz VLUZIWPYHZTUMC-XYPWUTKMSA-N 2 2 348.512 3.237 20 0 EGADLP CSc1cc2c(cc1C[N@@H+](C)C1C[C@H]3CC[C@@H](C1)[NH+]3C)OCCO2 ZINC000289863731 456159106 /nfs/dbraw/zinc/15/91/06/456159106.db2.gz VLUZIWPYHZTUMC-XYPWUTKMSA-N 2 2 348.512 3.237 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)OCCO2 ZINC000289863731 456159114 /nfs/dbraw/zinc/15/91/14/456159114.db2.gz VLUZIWPYHZTUMC-XYPWUTKMSA-N 2 2 348.512 3.237 20 0 EGADLP CSc1cc2c(cc1C[NH+](C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)OCCO2 ZINC000289863731 456159118 /nfs/dbraw/zinc/15/91/18/456159118.db2.gz VLUZIWPYHZTUMC-XYPWUTKMSA-N 2 2 348.512 3.237 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@@H](C)C3)c[nH+]c12 ZINC000273116896 456182537 /nfs/dbraw/zinc/18/25/37/456182537.db2.gz YOXWSKWJTIKECA-AAEUAGOBSA-N 2 2 338.249 3.062 20 0 EGADLP Cc1nc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(C)c(C)[nH+]1 ZINC000301684682 456186654 /nfs/dbraw/zinc/18/66/54/456186654.db2.gz KYMGUWBCDRPYHR-UHFFFAOYSA-N 2 2 326.444 3.020 20 0 EGADLP CC1CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000236829414 456190436 /nfs/dbraw/zinc/19/04/36/456190436.db2.gz HNNPHYKTHGHPSE-UHFFFAOYSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc3c2OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000271260080 456195488 /nfs/dbraw/zinc/19/54/88/456195488.db2.gz KMPLMOKCBMFCMU-DOTOQJQBSA-N 2 2 327.428 3.128 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000271260080 456195497 /nfs/dbraw/zinc/19/54/97/456195497.db2.gz KMPLMOKCBMFCMU-DOTOQJQBSA-N 2 2 327.428 3.128 20 0 EGADLP C[C@@H]([NH2+]Cc1ncccc1N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966745 456198587 /nfs/dbraw/zinc/19/85/87/456198587.db2.gz XEQFXEKMJMDEPC-IEBWSBKVSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@@H]([NH2+]Cc1ncccc1N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966745 456198591 /nfs/dbraw/zinc/19/85/91/456198591.db2.gz XEQFXEKMJMDEPC-IEBWSBKVSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCCNc1cccc[nH+]1)NC(=O)OC(C)(C)C ZINC000271292504 456207913 /nfs/dbraw/zinc/20/79/13/456207913.db2.gz SCBUSGMRHTUUMP-HUUCEWRRSA-N 2 2 336.480 3.165 20 0 EGADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000237086343 456230743 /nfs/dbraw/zinc/23/07/43/456230743.db2.gz UDDLIOOEIMMYMG-SFHVURJKSA-N 2 2 345.874 3.498 20 0 EGADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000237086343 456230747 /nfs/dbraw/zinc/23/07/47/456230747.db2.gz UDDLIOOEIMMYMG-SFHVURJKSA-N 2 2 345.874 3.498 20 0 EGADLP c1cc2c(nc[nH+]c2NC2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)[nH]1 ZINC000263824657 456236035 /nfs/dbraw/zinc/23/60/35/456236035.db2.gz ZGKYAKVCWUBZKQ-UHFFFAOYSA-N 2 2 348.414 3.064 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000281523494 456257414 /nfs/dbraw/zinc/25/74/14/456257414.db2.gz ZNEVLARGOXAOIW-INIZCTEOSA-N 2 2 341.377 3.295 20 0 EGADLP OC1(c2c(F)cccc2F)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189244370 456263132 /nfs/dbraw/zinc/26/31/32/456263132.db2.gz AOWUFSXQPRJSGB-UHFFFAOYSA-N 2 2 338.442 3.124 20 0 EGADLP Cc1ccc(CNc2nc(N)c3ccccc3[nH+]2)c(N2CCCC2)[nH+]1 ZINC000302065700 456278873 /nfs/dbraw/zinc/27/88/73/456278873.db2.gz VYRLHLDMOFOEET-UHFFFAOYSA-N 2 2 334.427 3.128 20 0 EGADLP CC(C)n1ccnc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297732291 456281477 /nfs/dbraw/zinc/28/14/77/456281477.db2.gz SNJIJHCBSCEXJA-UHFFFAOYSA-N 2 2 335.455 3.334 20 0 EGADLP CC(C)n1cc[nH+]c1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297732291 456281484 /nfs/dbraw/zinc/28/14/84/456281484.db2.gz SNJIJHCBSCEXJA-UHFFFAOYSA-N 2 2 335.455 3.334 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(O)ccc1Br ZINC000290322089 456291245 /nfs/dbraw/zinc/29/12/45/456291245.db2.gz DBXIPUDLBTWZFU-UHFFFAOYSA-N 2 2 338.249 3.182 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(O)ccc1Br ZINC000290322089 456291252 /nfs/dbraw/zinc/29/12/52/456291252.db2.gz DBXIPUDLBTWZFU-UHFFFAOYSA-N 2 2 338.249 3.182 20 0 EGADLP COc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000290326456 456292041 /nfs/dbraw/zinc/29/20/41/456292041.db2.gz DIZQADLHQGIKTF-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000290401003 456317593 /nfs/dbraw/zinc/31/75/93/456317593.db2.gz PHWHWGLHMBTVGM-UHFFFAOYSA-N 2 2 338.430 3.480 20 0 EGADLP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CCCC34CCCC4)CC2)cc[nH+]1 ZINC000340214485 456318614 /nfs/dbraw/zinc/31/86/14/456318614.db2.gz ICVMJQZDZRRQPB-HXUWFJFHSA-N 3 2 342.531 3.296 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800812 456320665 /nfs/dbraw/zinc/32/06/65/456320665.db2.gz QAXTXNLRVMYPSW-DOTOQJQBSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800812 456320669 /nfs/dbraw/zinc/32/06/69/456320669.db2.gz QAXTXNLRVMYPSW-DOTOQJQBSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800812 456320672 /nfs/dbraw/zinc/32/06/72/456320672.db2.gz QAXTXNLRVMYPSW-DOTOQJQBSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800812 456320676 /nfs/dbraw/zinc/32/06/76/456320676.db2.gz QAXTXNLRVMYPSW-DOTOQJQBSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccccc2F)nc(C2CC2)[nH+]1 ZINC000347718618 456324632 /nfs/dbraw/zinc/32/46/32/456324632.db2.gz LDOSXFDQMBBFCL-UHFFFAOYSA-N 2 2 328.435 3.370 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccnc2OC2CCCC2)s1 ZINC000352830720 456344376 /nfs/dbraw/zinc/34/43/76/456344376.db2.gz UZZGZCBDRDUZMO-UHFFFAOYSA-N 2 2 346.500 3.211 20 0 EGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508109 456347653 /nfs/dbraw/zinc/34/76/53/456347653.db2.gz PKNRADNENCXOGM-JSGCOSHPSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508109 456347660 /nfs/dbraw/zinc/34/76/60/456347660.db2.gz PKNRADNENCXOGM-JSGCOSHPSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508109 456347667 /nfs/dbraw/zinc/34/76/67/456347667.db2.gz PKNRADNENCXOGM-JSGCOSHPSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Cl)c1OC ZINC000290508109 456347672 /nfs/dbraw/zinc/34/76/72/456347672.db2.gz PKNRADNENCXOGM-JSGCOSHPSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508127 456348489 /nfs/dbraw/zinc/34/84/89/456348489.db2.gz PKNRADNENCXOGM-OCCSQVGLSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508127 456348495 /nfs/dbraw/zinc/34/84/95/456348495.db2.gz PKNRADNENCXOGM-OCCSQVGLSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508127 456348501 /nfs/dbraw/zinc/34/85/01/456348501.db2.gz PKNRADNENCXOGM-OCCSQVGLSA-N 2 2 326.868 3.129 20 0 EGADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Cl)c1OC ZINC000290508127 456348507 /nfs/dbraw/zinc/34/85/07/456348507.db2.gz PKNRADNENCXOGM-OCCSQVGLSA-N 2 2 326.868 3.129 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)ccc1Br ZINC000290531083 456356527 /nfs/dbraw/zinc/35/65/27/456356527.db2.gz QSNNUYCEUDOPQF-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)ccc1Br ZINC000290531083 456356532 /nfs/dbraw/zinc/35/65/32/456356532.db2.gz QSNNUYCEUDOPQF-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531083 456356517 /nfs/dbraw/zinc/35/65/17/456356517.db2.gz QSNNUYCEUDOPQF-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)ccc1Br ZINC000290531083 456356521 /nfs/dbraw/zinc/35/65/21/456356521.db2.gz QSNNUYCEUDOPQF-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340310693 456378751 /nfs/dbraw/zinc/37/87/51/456378751.db2.gz RPJWADBXYPEXGH-UWJYYQICSA-N 2 2 340.515 3.470 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340310693 456378756 /nfs/dbraw/zinc/37/87/56/456378756.db2.gz RPJWADBXYPEXGH-UWJYYQICSA-N 2 2 340.515 3.470 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4ccncc34)c2)CCO1 ZINC000290620091 456386422 /nfs/dbraw/zinc/38/64/22/456386422.db2.gz LJDHGRKPEAKKDK-MRXNPFEDSA-N 2 2 348.450 3.463 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccncc34)c2)CCO1 ZINC000290620091 456386431 /nfs/dbraw/zinc/38/64/31/456386431.db2.gz LJDHGRKPEAKKDK-MRXNPFEDSA-N 2 2 348.450 3.463 20 0 EGADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507107 461747965 /nfs/dbraw/zinc/74/79/65/461747965.db2.gz SILIWPQOBLLCKX-AWEZNQCLSA-N 2 2 325.250 3.004 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282135145 456421301 /nfs/dbraw/zinc/42/13/01/456421301.db2.gz VTLMEOAILNETPK-UHFFFAOYSA-N 2 2 342.509 3.310 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282135145 456421309 /nfs/dbraw/zinc/42/13/09/456421309.db2.gz VTLMEOAILNETPK-UHFFFAOYSA-N 2 2 342.509 3.310 20 0 EGADLP CCOC(CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1)OCC ZINC000276261841 456427630 /nfs/dbraw/zinc/42/76/30/456427630.db2.gz WSIGDIAHWVVYDP-IEBWSBKVSA-N 2 2 334.504 3.276 20 0 EGADLP CCOC(CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1)OCC ZINC000276261841 456427637 /nfs/dbraw/zinc/42/76/37/456427637.db2.gz WSIGDIAHWVVYDP-IEBWSBKVSA-N 2 2 334.504 3.276 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000303066209 456443889 /nfs/dbraw/zinc/44/38/89/456443889.db2.gz ZSEQPDMDBGMKCL-AABGKKOBSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000303066209 456443892 /nfs/dbraw/zinc/44/38/92/456443892.db2.gz ZSEQPDMDBGMKCL-AABGKKOBSA-N 2 2 349.563 3.125 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000303058391 456443937 /nfs/dbraw/zinc/44/39/37/456443937.db2.gz XKKJASGGKDTFGY-HXUWFJFHSA-N 2 2 349.563 3.127 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000303058391 456443946 /nfs/dbraw/zinc/44/39/46/456443946.db2.gz XKKJASGGKDTFGY-HXUWFJFHSA-N 2 2 349.563 3.127 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000298415705 456451207 /nfs/dbraw/zinc/45/12/07/456451207.db2.gz MHPOSJVDPRVEFR-MRXNPFEDSA-N 2 2 343.471 3.343 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000298415705 456451211 /nfs/dbraw/zinc/45/12/11/456451211.db2.gz MHPOSJVDPRVEFR-MRXNPFEDSA-N 2 2 343.471 3.343 20 0 EGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000353050788 456462679 /nfs/dbraw/zinc/46/26/79/456462679.db2.gz WMDTXEVYOGWVPG-WSCSCYJOSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000353050788 456462686 /nfs/dbraw/zinc/46/26/86/456462686.db2.gz WMDTXEVYOGWVPG-WSCSCYJOSA-N 2 2 349.563 3.265 20 0 EGADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)nn1C ZINC000282327171 456478567 /nfs/dbraw/zinc/47/85/67/456478567.db2.gz UPOVNENHSVZBOT-ZDUSSCGKSA-N 2 2 327.407 3.213 20 0 EGADLP CCc1nc2ccccc2n1C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000298564584 456491806 /nfs/dbraw/zinc/49/18/06/456491806.db2.gz WJPRVHZVRATCAK-UHFFFAOYSA-N 2 2 337.471 3.212 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](CCCc3ccc(Cl)cc3)CC2)c1 ZINC000303933788 456495694 /nfs/dbraw/zinc/49/56/94/456495694.db2.gz XORTZCUHJCTHEU-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340503258 456496625 /nfs/dbraw/zinc/49/66/25/456496625.db2.gz DIBALHOZTTUERB-OXJNMPFZSA-N 2 2 344.524 3.078 20 0 EGADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340503258 456496631 /nfs/dbraw/zinc/49/66/31/456496631.db2.gz DIBALHOZTTUERB-OXJNMPFZSA-N 2 2 344.524 3.078 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000340518710 456505862 /nfs/dbraw/zinc/50/58/62/456505862.db2.gz RPKSUSDIWWYLEW-DABHTEOTSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C[N@H+]1Cc1ccccc1 ZINC000340518710 456505867 /nfs/dbraw/zinc/50/58/67/456505867.db2.gz RPKSUSDIWWYLEW-DABHTEOTSA-N 2 2 326.484 3.197 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000282466257 456524489 /nfs/dbraw/zinc/52/44/89/456524489.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000282466257 456524494 /nfs/dbraw/zinc/52/44/94/456524494.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466257 456524496 /nfs/dbraw/zinc/52/44/96/456524496.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000282466257 456524503 /nfs/dbraw/zinc/52/45/03/456524503.db2.gz OZTAOGZXQYIFLJ-MISYRCLQSA-N 3 2 329.532 3.359 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187920 456524765 /nfs/dbraw/zinc/52/47/65/456524765.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187920 456524769 /nfs/dbraw/zinc/52/47/69/456524769.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187920 456524772 /nfs/dbraw/zinc/52/47/72/456524772.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000348187920 456524775 /nfs/dbraw/zinc/52/47/75/456524775.db2.gz QJUKWVSUVJPKRZ-FCHUYYIVSA-N 3 2 341.543 3.459 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl)C[NH+]1CCCCC1 ZINC000340582227 456545102 /nfs/dbraw/zinc/54/51/02/456545102.db2.gz FGWNPRHOYQIJNT-SUMWQHHRSA-N 2 2 343.298 3.417 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)c1C ZINC000291164349 456551614 /nfs/dbraw/zinc/55/16/14/456551614.db2.gz IXZOXDSBIURGQX-BBRMVZONSA-N 2 2 326.444 3.158 20 0 EGADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C ZINC000291164349 456551617 /nfs/dbraw/zinc/55/16/17/456551617.db2.gz IXZOXDSBIURGQX-BBRMVZONSA-N 2 2 326.444 3.158 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000310703823 456583513 /nfs/dbraw/zinc/58/35/13/456583513.db2.gz RPVBSVRRELADMF-OXJNMPFZSA-N 2 2 338.451 3.226 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000310703823 456583520 /nfs/dbraw/zinc/58/35/20/456583520.db2.gz RPVBSVRRELADMF-OXJNMPFZSA-N 2 2 338.451 3.226 20 0 EGADLP Cc1nc2ccccn2c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348304722 456610651 /nfs/dbraw/zinc/61/06/51/456610651.db2.gz IGEDBOPBCFNPGK-WOJBJXKFSA-N 2 2 346.478 3.207 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc12 ZINC000353290841 456615996 /nfs/dbraw/zinc/61/59/96/456615996.db2.gz XRRTYVOLMZIADC-QGZVFWFLSA-N 2 2 341.503 3.354 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc12 ZINC000353290841 456616000 /nfs/dbraw/zinc/61/60/00/456616000.db2.gz XRRTYVOLMZIADC-QGZVFWFLSA-N 2 2 341.503 3.354 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000348323126 456621779 /nfs/dbraw/zinc/62/17/79/456621779.db2.gz JJKSHEBZRLMBKZ-UXPWSPDFSA-N 2 2 333.520 3.006 20 0 EGADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000348323126 456621787 /nfs/dbraw/zinc/62/17/87/456621787.db2.gz JJKSHEBZRLMBKZ-UXPWSPDFSA-N 2 2 333.520 3.006 20 0 EGADLP CC1CC[NH+](Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000276925880 456622175 /nfs/dbraw/zinc/62/21/75/456622175.db2.gz NHMSOTVNSIVBKV-UHFFFAOYSA-N 2 2 337.427 3.213 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)c1 ZINC000353326740 456641132 /nfs/dbraw/zinc/64/11/32/456641132.db2.gz KZSDVSMOUPAASY-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660155 /nfs/dbraw/zinc/66/01/55/456660155.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660163 /nfs/dbraw/zinc/66/01/63/456660163.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660170 /nfs/dbraw/zinc/66/01/70/456660170.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP CC[NH+]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000343497162 456660175 /nfs/dbraw/zinc/66/01/75/456660175.db2.gz JYIZNRVHWYGSLO-WFXMLNOXSA-N 3 2 329.532 3.348 20 0 EGADLP CC(C)[N@@H+]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338172297 456682558 /nfs/dbraw/zinc/68/25/58/456682558.db2.gz WJGWTJZNUUCXCK-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP CC(C)[N@H+]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)CC1 ZINC000338172297 456682565 /nfs/dbraw/zinc/68/25/65/456682565.db2.gz WJGWTJZNUUCXCK-UHFFFAOYSA-N 2 2 339.439 3.430 20 0 EGADLP CC(C)[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1[nH]cc[nH+]1 ZINC000283070400 456704485 /nfs/dbraw/zinc/70/44/85/456704485.db2.gz RPRIKPVYKKNWOS-KRWDZBQOSA-N 2 2 326.444 3.133 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166780 456704738 /nfs/dbraw/zinc/70/47/38/456704738.db2.gz KNYSZYJIOAZSGE-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277166780 456704742 /nfs/dbraw/zinc/70/47/42/456704742.db2.gz KNYSZYJIOAZSGE-HUUCEWRRSA-N 2 2 337.895 3.392 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000277234561 456736302 /nfs/dbraw/zinc/73/63/02/456736302.db2.gz PARNQDSHEZRNSK-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000277234561 456736309 /nfs/dbraw/zinc/73/63/09/456736309.db2.gz PARNQDSHEZRNSK-OAHLLOKOSA-N 2 2 338.879 3.417 20 0 EGADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544716 456748740 /nfs/dbraw/zinc/74/87/40/456748740.db2.gz QAHQTCAXRQXPRN-PKOBYXMFSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353544716 456748744 /nfs/dbraw/zinc/74/87/44/456748744.db2.gz QAHQTCAXRQXPRN-PKOBYXMFSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353544716 456748749 /nfs/dbraw/zinc/74/87/49/456748749.db2.gz QAHQTCAXRQXPRN-PKOBYXMFSA-N 2 2 349.519 3.070 20 0 EGADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353544716 456748754 /nfs/dbraw/zinc/74/87/54/456748754.db2.gz QAHQTCAXRQXPRN-PKOBYXMFSA-N 2 2 349.519 3.070 20 0 EGADLP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(Cl)c1OC ZINC000343626293 456754725 /nfs/dbraw/zinc/75/47/25/456754725.db2.gz SSYROQPSRQNYQX-UHFFFAOYSA-N 2 2 326.868 3.275 20 0 EGADLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(Cl)c1OC ZINC000343626293 456754730 /nfs/dbraw/zinc/75/47/30/456754730.db2.gz SSYROQPSRQNYQX-UHFFFAOYSA-N 2 2 326.868 3.275 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1ccccc1F)Cc1ccco1 ZINC000353576382 456775958 /nfs/dbraw/zinc/77/59/58/456775958.db2.gz QIDASEXAYBYMPF-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1ccccc1F)Cc1ccco1 ZINC000353576382 456775965 /nfs/dbraw/zinc/77/59/65/456775965.db2.gz QIDASEXAYBYMPF-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1ccccc1F ZINC000353576382 456775969 /nfs/dbraw/zinc/77/59/69/456775969.db2.gz QIDASEXAYBYMPF-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1ccccc1F ZINC000353576382 456775972 /nfs/dbraw/zinc/77/59/72/456775972.db2.gz QIDASEXAYBYMPF-UHFFFAOYSA-N 2 2 347.434 3.201 20 0 EGADLP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C12CCC2 ZINC000344075448 456793619 /nfs/dbraw/zinc/79/36/19/456793619.db2.gz NSLPDYFTUUMBRZ-OALUTQOASA-N 2 2 328.500 3.023 20 0 EGADLP Cc1ccc(CCC[NH+]2CCN(c3cc(F)ccc3F)CC2)c[nH+]1 ZINC000353618188 456807459 /nfs/dbraw/zinc/80/74/59/456807459.db2.gz SPKRVTNULQUUJO-UHFFFAOYSA-N 2 2 331.410 3.423 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000344300436 456813996 /nfs/dbraw/zinc/81/39/96/456813996.db2.gz VBSMDHZVAZUIFB-NMLACTOBSA-N 2 2 341.499 3.154 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646940 456826519 /nfs/dbraw/zinc/82/65/19/456826519.db2.gz FFJRCCXUWKZIHQ-KRWDZBQOSA-N 2 2 330.451 3.318 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646940 456826522 /nfs/dbraw/zinc/82/65/22/456826522.db2.gz FFJRCCXUWKZIHQ-KRWDZBQOSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646940 456826525 /nfs/dbraw/zinc/82/65/25/456826525.db2.gz FFJRCCXUWKZIHQ-KRWDZBQOSA-N 2 2 330.451 3.318 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353646940 456826530 /nfs/dbraw/zinc/82/65/30/456826530.db2.gz FFJRCCXUWKZIHQ-KRWDZBQOSA-N 2 2 330.451 3.318 20 0 EGADLP COc1cc2c(c(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)c1)O[C@H](C)C2 ZINC000353676322 456848695 /nfs/dbraw/zinc/84/86/95/456848695.db2.gz XFZIKWBHFIJCDQ-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)c1)O[C@H](C)C2 ZINC000353676322 456848697 /nfs/dbraw/zinc/84/86/97/456848697.db2.gz XFZIKWBHFIJCDQ-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)c1)O[C@H](C)C2 ZINC000353676322 456848700 /nfs/dbraw/zinc/84/87/00/456848700.db2.gz XFZIKWBHFIJCDQ-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP COc1cc2c(c(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)c1)O[C@H](C)C2 ZINC000353676322 456848702 /nfs/dbraw/zinc/84/87/02/456848702.db2.gz XFZIKWBHFIJCDQ-QAPCUYQASA-N 2 2 332.488 3.325 20 0 EGADLP O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000292155440 456871103 /nfs/dbraw/zinc/87/11/03/456871103.db2.gz URBBXUKLCWAEDP-INIZCTEOSA-N 2 2 338.455 3.357 20 0 EGADLP CC(=O)NCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccsc1 ZINC000338959084 456877637 /nfs/dbraw/zinc/87/76/37/456877637.db2.gz UTCOKGLOSDUOIY-UHFFFAOYSA-N 2 2 331.485 3.022 20 0 EGADLP CC(=O)NCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccsc1 ZINC000338959084 456877640 /nfs/dbraw/zinc/87/76/40/456877640.db2.gz UTCOKGLOSDUOIY-UHFFFAOYSA-N 2 2 331.485 3.022 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752085 456890344 /nfs/dbraw/zinc/89/03/44/456890344.db2.gz ZWTRDRUSUCXPFK-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752085 456890348 /nfs/dbraw/zinc/89/03/48/456890348.db2.gz ZWTRDRUSUCXPFK-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752085 456890352 /nfs/dbraw/zinc/89/03/52/456890352.db2.gz ZWTRDRUSUCXPFK-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2OC)C[C@H]1C ZINC000353752085 456890356 /nfs/dbraw/zinc/89/03/56/456890356.db2.gz ZWTRDRUSUCXPFK-GDBMZVCRSA-N 2 2 336.476 3.017 20 0 EGADLP CC[N@H+](C)CCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000341678263 456896107 /nfs/dbraw/zinc/89/61/07/456896107.db2.gz UCEMUMSRPFZYTJ-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP CC[N@@H+](C)CCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000341678263 456896113 /nfs/dbraw/zinc/89/61/13/456896113.db2.gz UCEMUMSRPFZYTJ-UHFFFAOYSA-N 2 2 342.487 3.152 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945928 /nfs/dbraw/zinc/94/59/28/456945928.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 3 2 347.547 3.016 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@H](CC[NH+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945931 /nfs/dbraw/zinc/94/59/31/456945931.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 3 2 347.547 3.016 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@H](CC[N@H+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945933 /nfs/dbraw/zinc/94/59/33/456945933.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 3 2 347.547 3.016 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@H](CC[N@@H+](C)CCOC)c2ccccc2)[C@H](C)C1 ZINC000345155691 456945937 /nfs/dbraw/zinc/94/59/37/456945937.db2.gz CTFJDFGVRLDDJY-HLAWJBBLSA-N 3 2 347.547 3.016 20 0 EGADLP Cc1ccn2c(CN(CC[NH+](C)C)Cc3cccs3)c[nH+]c2c1 ZINC000349337099 456947054 /nfs/dbraw/zinc/94/70/54/456947054.db2.gz ZASCVZLDLLECAB-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccnn1-c1ccccc1C ZINC000349387101 456960937 /nfs/dbraw/zinc/96/09/37/456960937.db2.gz UTSTTXILZADCLH-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccnn1-c1ccccc1C ZINC000349387101 456960939 /nfs/dbraw/zinc/96/09/39/456960939.db2.gz UTSTTXILZADCLH-UHFFFAOYSA-N 2 2 326.488 3.489 20 0 EGADLP c1c[nH+]c(CN2CC[NH+](Cc3cccc(OC4CCCC4)c3)CC2)[nH]1 ZINC000353910922 456962165 /nfs/dbraw/zinc/96/21/65/456962165.db2.gz AYOKTNWFANDHSW-UHFFFAOYSA-N 2 2 340.471 3.049 20 0 EGADLP COc1ccccc1[C@H](C[NH2+]CCCc1ccc(C)[nH+]c1)N(C)C ZINC000353925057 456967678 /nfs/dbraw/zinc/96/76/78/456967678.db2.gz CSDYQPGMTSNWIZ-IBGZPJMESA-N 2 2 327.472 3.224 20 0 EGADLP Fc1ccc(-n2nccc2C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000353927387 456968386 /nfs/dbraw/zinc/96/83/86/456968386.db2.gz IMQNMGNAQDAURG-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329965165 456968482 /nfs/dbraw/zinc/96/84/82/456968482.db2.gz UYCABLAVYWIXJD-RYUDHWBXSA-N 2 2 329.429 3.462 20 0 EGADLP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329965165 456968488 /nfs/dbraw/zinc/96/84/88/456968488.db2.gz UYCABLAVYWIXJD-RYUDHWBXSA-N 2 2 329.429 3.462 20 0 EGADLP c1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2cncnc2)cc1 ZINC000349444018 456969082 /nfs/dbraw/zinc/96/90/82/456969082.db2.gz BPKOOJNPMZMPDY-HXUWFJFHSA-N 2 2 333.439 3.443 20 0 EGADLP C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCCCCC1 ZINC000341888865 456987789 /nfs/dbraw/zinc/98/77/89/456987789.db2.gz NOWHKHIEHQKFQW-GOSISDBHSA-N 2 2 346.519 3.166 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)cc2n1C ZINC000356473321 457008454 /nfs/dbraw/zinc/00/84/54/457008454.db2.gz CTJXQTJOZUXQBA-KRWDZBQOSA-N 2 2 342.487 3.122 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3CC(C)C)cc2n1C ZINC000356473321 457008455 /nfs/dbraw/zinc/00/84/55/457008455.db2.gz CTJXQTJOZUXQBA-KRWDZBQOSA-N 2 2 342.487 3.122 20 0 EGADLP Clc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCCO2 ZINC000354032728 457021581 /nfs/dbraw/zinc/02/15/81/457021581.db2.gz DDYYPODATNUWCP-OAHLLOKOSA-N 2 2 346.814 3.160 20 0 EGADLP Clc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCCO2 ZINC000354032728 457021585 /nfs/dbraw/zinc/02/15/85/457021585.db2.gz DDYYPODATNUWCP-OAHLLOKOSA-N 2 2 346.814 3.160 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000354098354 457060193 /nfs/dbraw/zinc/06/01/93/457060193.db2.gz WPLKJEREAOOOTA-HNNXBMFYSA-N 2 2 332.879 3.151 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)C1 ZINC000354098354 457060195 /nfs/dbraw/zinc/06/01/95/457060195.db2.gz WPLKJEREAOOOTA-HNNXBMFYSA-N 2 2 332.879 3.151 20 0 EGADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579838 457066301 /nfs/dbraw/zinc/06/63/01/457066301.db2.gz QSRAWBBKHAWNCH-RBUKOAKNSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579838 457066308 /nfs/dbraw/zinc/06/63/08/457066308.db2.gz QSRAWBBKHAWNCH-RBUKOAKNSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579838 457066313 /nfs/dbraw/zinc/06/63/13/457066313.db2.gz QSRAWBBKHAWNCH-RBUKOAKNSA-N 2 2 349.563 3.220 20 0 EGADLP CC(C)CN(C(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000356579838 457066321 /nfs/dbraw/zinc/06/63/21/457066321.db2.gz QSRAWBBKHAWNCH-RBUKOAKNSA-N 2 2 349.563 3.220 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1F ZINC000346650907 457092274 /nfs/dbraw/zinc/09/22/74/457092274.db2.gz INZTWFUZKACREF-UHFFFAOYSA-N 2 2 337.402 3.330 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[NH2+]CCCn3cc[nH+]c3)n2)cc1F ZINC000346660239 457099019 /nfs/dbraw/zinc/09/90/19/457099019.db2.gz UKVQOEKDGJGLIF-ZDUSSCGKSA-N 2 2 329.379 3.122 20 0 EGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H](C)[C@H]1OC ZINC000356669136 457110793 /nfs/dbraw/zinc/11/07/93/457110793.db2.gz DTXFWIFYNPZXFV-NSISKUIASA-N 2 2 345.531 3.475 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435429 457118399 /nfs/dbraw/zinc/11/83/99/457118399.db2.gz AHMALMLLEDAIIO-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccccc1 ZINC000339435429 457118401 /nfs/dbraw/zinc/11/84/01/457118401.db2.gz AHMALMLLEDAIIO-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccccc1 ZINC000339435429 457118405 /nfs/dbraw/zinc/11/84/05/457118405.db2.gz AHMALMLLEDAIIO-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000339435429 457118407 /nfs/dbraw/zinc/11/84/07/457118407.db2.gz AHMALMLLEDAIIO-CTNGQTDRSA-N 2 2 343.515 3.062 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220858 457138442 /nfs/dbraw/zinc/13/84/42/457138442.db2.gz FQVXRXXHSWRKJN-MJGOQNOKSA-N 2 2 331.504 3.233 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220858 457138449 /nfs/dbraw/zinc/13/84/49/457138449.db2.gz FQVXRXXHSWRKJN-MJGOQNOKSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220858 457138452 /nfs/dbraw/zinc/13/84/52/457138452.db2.gz FQVXRXXHSWRKJN-MJGOQNOKSA-N 2 2 331.504 3.233 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(c2ccccc2)C(C)C)C[C@H]1C ZINC000354220858 457138457 /nfs/dbraw/zinc/13/84/57/457138457.db2.gz FQVXRXXHSWRKJN-MJGOQNOKSA-N 2 2 331.504 3.233 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224304 457140815 /nfs/dbraw/zinc/14/08/15/457140815.db2.gz NCXHPSIGBOGOLF-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224304 457140821 /nfs/dbraw/zinc/14/08/21/457140821.db2.gz NCXHPSIGBOGOLF-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224304 457140829 /nfs/dbraw/zinc/14/08/29/457140829.db2.gz NCXHPSIGBOGOLF-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(F)cc2Cl)C[C@H]1C ZINC000354224304 457140835 /nfs/dbraw/zinc/14/08/35/457140835.db2.gz NCXHPSIGBOGOLF-TZMCWYRMSA-N 2 2 341.858 3.222 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590271 457158351 /nfs/dbraw/zinc/15/83/51/457158351.db2.gz HYHVVQZGGUUEEX-ALKREAHSSA-N 2 2 333.545 3.226 20 0 EGADLP CSc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000339590271 457158357 /nfs/dbraw/zinc/15/83/57/457158357.db2.gz HYHVVQZGGUUEEX-ALKREAHSSA-N 2 2 333.545 3.226 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356871755 457189679 /nfs/dbraw/zinc/18/96/79/457189679.db2.gz OYEFEZDJLCWKBG-HNNXBMFYSA-N 3 2 335.458 3.113 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356871755 457189684 /nfs/dbraw/zinc/18/96/84/457189684.db2.gz OYEFEZDJLCWKBG-HNNXBMFYSA-N 3 2 335.458 3.113 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347057492 457208377 /nfs/dbraw/zinc/20/83/77/457208377.db2.gz WBLIWUCUPHJOGB-SWLSCSKDSA-N 2 2 341.293 3.407 20 0 EGADLP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347057492 457208378 /nfs/dbraw/zinc/20/83/78/457208378.db2.gz WBLIWUCUPHJOGB-SWLSCSKDSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](CO)c3ccccc3Cl)n2c1 ZINC000342296926 457220518 /nfs/dbraw/zinc/22/05/18/457220518.db2.gz QSZUGFJXXYPDDD-CQSZACIVSA-N 2 2 329.831 3.162 20 0 EGADLP Cc1ccc[nH+]c1CCc1noc([C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000351131436 457228384 /nfs/dbraw/zinc/22/83/84/457228384.db2.gz POCVVBDZIFRCOZ-GOSISDBHSA-N 2 2 332.423 3.227 20 0 EGADLP Cc1ccc[nH+]c1CCc1noc([C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000351131436 457228390 /nfs/dbraw/zinc/22/83/90/457228390.db2.gz POCVVBDZIFRCOZ-GOSISDBHSA-N 2 2 332.423 3.227 20 0 EGADLP C[N@H+](CCO)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000356987350 457260019 /nfs/dbraw/zinc/26/00/19/457260019.db2.gz KCJWCYZBNHERFB-UHFFFAOYSA-N 2 2 342.458 3.381 20 0 EGADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccc(-c3ccccc3)cc2F)CC1 ZINC000356987350 457260025 /nfs/dbraw/zinc/26/00/25/457260025.db2.gz KCJWCYZBNHERFB-UHFFFAOYSA-N 2 2 342.458 3.381 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331885381 457268022 /nfs/dbraw/zinc/26/80/22/457268022.db2.gz DNSZAZQAHQXPJV-UHFFFAOYSA-N 2 2 332.835 3.190 20 0 EGADLP C[C@@H]1C[NH+](CCCCNc2[nH+]ccc3ccc(F)cc32)C[C@@H](C)O1 ZINC000354534074 457274046 /nfs/dbraw/zinc/27/40/46/457274046.db2.gz GMTHRIFDWGXWLK-HUUCEWRRSA-N 2 2 331.435 3.097 20 0 EGADLP C[NH+](C)CCCOC1CCN(c2[nH+]ccc3ccc(F)cc32)CC1 ZINC000354549483 457284146 /nfs/dbraw/zinc/28/41/46/457284146.db2.gz YMTBNFPXCBIAQA-UHFFFAOYSA-N 2 2 331.435 3.311 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000360167444 457285182 /nfs/dbraw/zinc/28/51/82/457285182.db2.gz YCEIZWCNKTXXCB-IRXDYDNUSA-N 2 2 341.503 3.348 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000339822305 457292016 /nfs/dbraw/zinc/29/20/16/457292016.db2.gz RKFFZTOOKICYSB-SFHVURJKSA-N 2 2 339.483 3.495 20 0 EGADLP COc1cc(C)[nH+]c(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000339822305 457292021 /nfs/dbraw/zinc/29/20/21/457292021.db2.gz RKFFZTOOKICYSB-SFHVURJKSA-N 2 2 339.483 3.495 20 0 EGADLP Cc1ccncc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000347276099 457324545 /nfs/dbraw/zinc/32/45/45/457324545.db2.gz RUJKDUWPYQNCMK-INIZCTEOSA-N 2 2 339.487 3.489 20 0 EGADLP CCOC1CC([NH2+]C[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000342531165 457352568 /nfs/dbraw/zinc/35/25/68/457352568.db2.gz BHZGYOIRSWZIEW-UUKMXZOPSA-N 2 2 332.488 3.379 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000360944723 457451011 /nfs/dbraw/zinc/45/10/11/457451011.db2.gz AEHDTISJMFCQDV-QGZVFWFLSA-N 3 2 342.462 3.084 20 0 EGADLP c1cn2c(cccc2CN2CCC[N@@H+](CC3CCCCC3)CC2)[nH+]1 ZINC000342683971 457455621 /nfs/dbraw/zinc/45/56/21/457455621.db2.gz VKUCCRCSZOSSRO-UHFFFAOYSA-N 2 2 326.488 3.422 20 0 EGADLP c1cn2c(cccc2CN2CCC[N@H+](CC3CCCCC3)CC2)[nH+]1 ZINC000342683971 457455624 /nfs/dbraw/zinc/45/56/24/457455624.db2.gz VKUCCRCSZOSSRO-UHFFFAOYSA-N 2 2 326.488 3.422 20 0 EGADLP C[NH+]1CCC2(CCC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)CC1 ZINC000374074564 457470566 /nfs/dbraw/zinc/47/05/66/457470566.db2.gz LQSABFVNQFVNLL-UHFFFAOYSA-N 2 2 333.423 3.470 20 0 EGADLP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)CC1 ZINC000374074564 457470574 /nfs/dbraw/zinc/47/05/74/457470574.db2.gz LQSABFVNQFVNLL-UHFFFAOYSA-N 2 2 333.423 3.470 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000360993750 457496580 /nfs/dbraw/zinc/49/65/80/457496580.db2.gz BYIDUXLMXVEMDC-SFHVURJKSA-N 2 2 332.488 3.249 20 0 EGADLP CCOc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425330712 457502200 /nfs/dbraw/zinc/50/22/00/457502200.db2.gz XYXPYJAMORSXSA-GOSISDBHSA-N 2 2 328.460 3.222 20 0 EGADLP CCOc1ccc([C@H]2CCC[N@H+]2Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425330712 457502205 /nfs/dbraw/zinc/50/22/05/457502205.db2.gz XYXPYJAMORSXSA-GOSISDBHSA-N 2 2 328.460 3.222 20 0 EGADLP CCO[C@H]1C[C@H]([N@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337498 457503951 /nfs/dbraw/zinc/50/39/51/457503951.db2.gz NRBQUOKEXIHSHT-IRXDYDNUSA-N 2 2 334.508 3.046 20 0 EGADLP CCO[C@H]1C[C@H]([N@@H+](C)Cc2c[nH+]c(N(C)C)n2C)C12CCCCC2 ZINC000425337498 457503955 /nfs/dbraw/zinc/50/39/55/457503955.db2.gz NRBQUOKEXIHSHT-IRXDYDNUSA-N 2 2 334.508 3.046 20 0 EGADLP CCCCCC[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364204996 457526189 /nfs/dbraw/zinc/52/61/89/457526189.db2.gz DJKXSDKNGFLGNL-QZTJIDSGSA-N 2 2 337.552 3.268 20 0 EGADLP CCCCCC[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364204996 457526195 /nfs/dbraw/zinc/52/61/95/457526195.db2.gz DJKXSDKNGFLGNL-QZTJIDSGSA-N 2 2 337.552 3.268 20 0 EGADLP c1cncc(C[NH+]2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)c1 ZINC000425375590 457527105 /nfs/dbraw/zinc/52/71/05/457527105.db2.gz ZZOARXUVUKFAIR-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP CCO[C@@H](C)c1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361043157 457537124 /nfs/dbraw/zinc/53/71/24/457537124.db2.gz CNEATKPCFCEJDD-HNNXBMFYSA-N 2 2 347.463 3.056 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361055525 457549528 /nfs/dbraw/zinc/54/95/28/457549528.db2.gz FIYRRVXIAPZWIW-SFHVURJKSA-N 2 2 335.492 3.353 20 0 EGADLP CCC[C@@H]1CN(Cc2[nH+]ccn2CC)CC[N@@H+]1Cc1ccccc1 ZINC000342860946 457563589 /nfs/dbraw/zinc/56/35/89/457563589.db2.gz KQOFSEOIRGKBAT-LJQANCHMSA-N 2 2 326.488 3.390 20 0 EGADLP CCC[C@@H]1CN(Cc2[nH+]ccn2CC)CC[N@H+]1Cc1ccccc1 ZINC000342860946 457563595 /nfs/dbraw/zinc/56/35/95/457563595.db2.gz KQOFSEOIRGKBAT-LJQANCHMSA-N 2 2 326.488 3.390 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076774 457567552 /nfs/dbraw/zinc/56/75/52/457567552.db2.gz SCEGWHYEESVMTA-AEFFLSMTSA-N 2 2 341.503 3.347 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)nnn1-c1ccccc1 ZINC000361076774 457567560 /nfs/dbraw/zinc/56/75/60/457567560.db2.gz SCEGWHYEESVMTA-AEFFLSMTSA-N 2 2 341.503 3.347 20 0 EGADLP COCc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000357513735 457572501 /nfs/dbraw/zinc/57/25/01/457572501.db2.gz NTKHSOGYYZASNS-ZBFHGGJFSA-N 2 2 331.435 3.227 20 0 EGADLP CCCCCC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364412134 457596441 /nfs/dbraw/zinc/59/64/41/457596441.db2.gz ZLEVDQFLUBZFIX-SFHVURJKSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364412134 457596447 /nfs/dbraw/zinc/59/64/47/457596447.db2.gz ZLEVDQFLUBZFIX-SFHVURJKSA-N 2 2 337.552 3.220 20 0 EGADLP Clc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000374445365 457629624 /nfs/dbraw/zinc/62/96/24/457629624.db2.gz YXZVKDLNZIUNBR-SFHVURJKSA-N 2 2 344.890 3.175 20 0 EGADLP Cc1sc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)nc1C(C)C ZINC000425893627 457648848 /nfs/dbraw/zinc/64/88/48/457648848.db2.gz DNLOZBXSRHNVEN-UHFFFAOYSA-N 2 2 334.489 3.320 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374538852 457653110 /nfs/dbraw/zinc/65/31/10/457653110.db2.gz SGZPUDBDCQSQJG-HKUYNNGSSA-N 2 2 345.531 3.037 20 0 EGADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374538852 457653114 /nfs/dbraw/zinc/65/31/14/457653114.db2.gz SGZPUDBDCQSQJG-HKUYNNGSSA-N 2 2 345.531 3.037 20 0 EGADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000357717679 457667264 /nfs/dbraw/zinc/66/72/64/457667264.db2.gz XYFGLSUYHQIWFC-AEFFLSMTSA-N 2 2 346.519 3.092 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000357771369 457683903 /nfs/dbraw/zinc/68/39/03/457683903.db2.gz KYJWJTPCFTZRAL-SJORKVTESA-N 2 2 340.471 3.173 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000357771369 457683906 /nfs/dbraw/zinc/68/39/06/457683906.db2.gz KYJWJTPCFTZRAL-SJORKVTESA-N 2 2 340.471 3.173 20 0 EGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000357788053 457689951 /nfs/dbraw/zinc/68/99/51/457689951.db2.gz IIRWFQHITGTAQQ-UHFFFAOYSA-N 2 2 340.471 3.031 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3Cc4ccccc4C[C@H]3C)c2cc1C ZINC000357790708 457690838 /nfs/dbraw/zinc/69/08/38/457690838.db2.gz FHDSXOJMBKTUEG-XLIONFOSSA-N 2 2 349.478 3.461 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3Cc4ccccc4C[C@H]3C)c2cc1C ZINC000357790708 457690841 /nfs/dbraw/zinc/69/08/41/457690841.db2.gz FHDSXOJMBKTUEG-XLIONFOSSA-N 2 2 349.478 3.461 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357799931 457694666 /nfs/dbraw/zinc/69/46/66/457694666.db2.gz SOENBLBBMOFSGW-KRWDZBQOSA-N 2 2 342.462 3.244 20 0 EGADLP C[N@H+]1CCCC[C@H]1CCN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000357799931 457694669 /nfs/dbraw/zinc/69/46/69/457694669.db2.gz SOENBLBBMOFSGW-KRWDZBQOSA-N 2 2 342.462 3.244 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370671586 457697162 /nfs/dbraw/zinc/69/71/62/457697162.db2.gz UWDSWYKXTUDAHC-GDBMZVCRSA-N 2 2 336.549 3.130 20 0 EGADLP Cc1csc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000370671586 457697164 /nfs/dbraw/zinc/69/71/64/457697164.db2.gz UWDSWYKXTUDAHC-GDBMZVCRSA-N 2 2 336.549 3.130 20 0 EGADLP CSc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccn1 ZINC000357872648 457719518 /nfs/dbraw/zinc/71/95/18/457719518.db2.gz PLZPFNQPXRLSQP-QAPCUYQASA-N 2 2 342.512 3.199 20 0 EGADLP CSc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccn1 ZINC000357872648 457719520 /nfs/dbraw/zinc/71/95/20/457719520.db2.gz PLZPFNQPXRLSQP-QAPCUYQASA-N 2 2 342.512 3.199 20 0 EGADLP Cc1cc(N2CC[NH+](CCCC3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000361457957 457738640 /nfs/dbraw/zinc/73/86/40/457738640.db2.gz DBKKEVITWXKKQG-UHFFFAOYSA-N 2 2 346.519 3.237 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000358059754 457759384 /nfs/dbraw/zinc/75/93/84/457759384.db2.gz JCHGYKAQKPAUHC-CQSZACIVSA-N 2 2 333.476 3.177 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000358173924 457834174 /nfs/dbraw/zinc/83/41/74/457834174.db2.gz VZRIXMXBNKJGBO-OWCLPIDISA-N 2 2 347.528 3.489 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289215 457850217 /nfs/dbraw/zinc/85/02/17/457850217.db2.gz IVWJILATIRUVJQ-OWCLPIDISA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(-c2cccs2)on1 ZINC000371289215 457850221 /nfs/dbraw/zinc/85/02/21/457850221.db2.gz IVWJILATIRUVJQ-OWCLPIDISA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295601 457853015 /nfs/dbraw/zinc/85/30/15/457853015.db2.gz STYNDXFCLYLEPF-ZACQAIPSSA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1csc(-c2ccoc2)n1 ZINC000371295601 457853020 /nfs/dbraw/zinc/85/30/20/457853020.db2.gz STYNDXFCLYLEPF-ZACQAIPSSA-N 2 2 347.484 3.087 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(N2CCOC2=O)cc1 ZINC000375268575 457857442 /nfs/dbraw/zinc/85/74/42/457857442.db2.gz NGURWEZDKSJMPX-CQSZACIVSA-N 2 2 340.427 3.027 20 0 EGADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnc4n3CCCC4)CC2)C1 ZINC000375319251 457879739 /nfs/dbraw/zinc/87/97/39/457879739.db2.gz KDOKCVPWXHGQTL-FUHWJXTLSA-N 2 2 330.520 3.352 20 0 EGADLP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3c[nH+]c4n3CCCC4)CC2)C1 ZINC000375319251 457879743 /nfs/dbraw/zinc/87/97/43/457879743.db2.gz KDOKCVPWXHGQTL-FUHWJXTLSA-N 2 2 330.520 3.352 20 0 EGADLP COC(=O)C1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCCC1 ZINC000411412017 457881161 /nfs/dbraw/zinc/88/11/61/457881161.db2.gz ZCVZDNYYVKUDHM-UHFFFAOYSA-N 2 2 330.472 3.248 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250044 457887254 /nfs/dbraw/zinc/88/72/54/457887254.db2.gz KVZSDWGTIOJTSE-MGPUTAFESA-N 2 2 344.430 3.335 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250044 457887259 /nfs/dbraw/zinc/88/72/59/457887259.db2.gz KVZSDWGTIOJTSE-MGPUTAFESA-N 2 2 344.430 3.335 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000361824752 457887692 /nfs/dbraw/zinc/88/76/92/457887692.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 3 2 326.488 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000361824752 457887696 /nfs/dbraw/zinc/88/76/96/457887696.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 3 2 326.488 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000361824752 457887703 /nfs/dbraw/zinc/88/77/03/457887703.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 3 2 326.488 3.487 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000361824752 457887706 /nfs/dbraw/zinc/88/77/06/457887706.db2.gz GLPOODSMWPUAEF-IBGZPJMESA-N 3 2 326.488 3.487 20 0 EGADLP CCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000358252254 457889426 /nfs/dbraw/zinc/88/94/26/457889426.db2.gz LNPHERHEFGRVJK-HZPDHXFCSA-N 2 2 331.287 3.491 20 0 EGADLP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859750 457913664 /nfs/dbraw/zinc/91/36/64/457913664.db2.gz GWQWWHQKUYMVKY-UYAOXDASSA-N 2 2 341.455 3.392 20 0 EGADLP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000358328399 457936900 /nfs/dbraw/zinc/93/69/00/457936900.db2.gz LNAFKSCCNDIECS-LJQANCHMSA-N 2 2 334.467 3.360 20 0 EGADLP c1[nH]c2ncccc2c1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000358328399 457936905 /nfs/dbraw/zinc/93/69/05/457936905.db2.gz LNAFKSCCNDIECS-LJQANCHMSA-N 2 2 334.467 3.360 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1Cl ZINC000358342594 457946806 /nfs/dbraw/zinc/94/68/06/457946806.db2.gz FSINHCBORKNOLI-CJNGLKHVSA-N 2 2 328.287 3.034 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358412038 457987320 /nfs/dbraw/zinc/98/73/20/457987320.db2.gz ZOVCIJKBSUWXKY-YPMHNXCESA-N 2 2 327.266 3.030 20 0 EGADLP COc1c(Br)cccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358412038 457987327 /nfs/dbraw/zinc/98/73/27/457987327.db2.gz ZOVCIJKBSUWXKY-YPMHNXCESA-N 2 2 327.266 3.030 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C[C@@H](C)O1 ZINC000375800592 458070981 /nfs/dbraw/zinc/07/09/81/458070981.db2.gz BYUVHTYFYVGNDQ-JFIYKMOQSA-N 2 2 334.508 3.120 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000435033489 458080578 /nfs/dbraw/zinc/08/05/78/458080578.db2.gz ATPQLMLSMVUINT-UHFFFAOYSA-N 2 2 338.386 3.109 20 0 EGADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOc2c(F)cccc2C1 ZINC000435033489 458080582 /nfs/dbraw/zinc/08/05/82/458080582.db2.gz ATPQLMLSMVUINT-UHFFFAOYSA-N 2 2 338.386 3.109 20 0 EGADLP CCc1nc(C)c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000428247388 458105929 /nfs/dbraw/zinc/10/59/29/458105929.db2.gz NLWDHGXPHOEKLS-UHFFFAOYSA-N 2 2 342.487 3.079 20 0 EGADLP CCc1nc(C)c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)o1 ZINC000428247388 458105935 /nfs/dbraw/zinc/10/59/35/458105935.db2.gz NLWDHGXPHOEKLS-UHFFFAOYSA-N 2 2 342.487 3.079 20 0 EGADLP c1cn(CCCC2CC[NH+](CCN3CCc4ccccc43)CC2)c[nH+]1 ZINC000428343953 458124503 /nfs/dbraw/zinc/12/45/03/458124503.db2.gz IJACBNVPSNIAEN-UHFFFAOYSA-N 2 2 338.499 3.438 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2ccc(OCc3csc(C)n3)cc2)CC1 ZINC000435374348 458124641 /nfs/dbraw/zinc/12/46/41/458124641.db2.gz HZGGQCQWSSFJHE-UHFFFAOYSA-N 2 2 331.485 3.214 20 0 EGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000435376088 458126136 /nfs/dbraw/zinc/12/61/36/458126136.db2.gz PLLFYMQFGGLFOU-SFHVURJKSA-N 2 2 332.451 3.381 20 0 EGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000435376088 458126145 /nfs/dbraw/zinc/12/61/45/458126145.db2.gz PLLFYMQFGGLFOU-SFHVURJKSA-N 2 2 332.451 3.381 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc3)nc12 ZINC000435382783 458130828 /nfs/dbraw/zinc/13/08/28/458130828.db2.gz FKIZXPOJQPAVTI-MRXNPFEDSA-N 2 2 338.455 3.001 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@H](C)C[NH3+])cc3)nc12 ZINC000435382783 458130835 /nfs/dbraw/zinc/13/08/35/458130835.db2.gz FKIZXPOJQPAVTI-MRXNPFEDSA-N 2 2 338.455 3.001 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435614365 458172459 /nfs/dbraw/zinc/17/24/59/458172459.db2.gz MKMOXIKMGDBWKK-OAHLLOKOSA-N 2 2 343.393 3.108 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435614365 458172463 /nfs/dbraw/zinc/17/24/63/458172463.db2.gz MKMOXIKMGDBWKK-OAHLLOKOSA-N 2 2 343.393 3.108 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000447539677 458307489 /nfs/dbraw/zinc/30/74/89/458307489.db2.gz ATTPQWQOBPXOMA-BURNTYAHSA-N 2 2 342.527 3.472 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000447539677 458307495 /nfs/dbraw/zinc/30/74/95/458307495.db2.gz ATTPQWQOBPXOMA-BURNTYAHSA-N 2 2 342.527 3.472 20 0 EGADLP CCCCC[C@@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369726080 458327371 /nfs/dbraw/zinc/32/73/71/458327371.db2.gz CYDWBEFLQPJKAZ-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369726080 458327377 /nfs/dbraw/zinc/32/73/77/458327377.db2.gz CYDWBEFLQPJKAZ-MJGOQNOKSA-N 2 2 337.552 3.220 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(Cl)c1O ZINC000459354666 458340789 /nfs/dbraw/zinc/34/07/89/458340789.db2.gz JLMKCCWNOMFJHD-GOEBONIOSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354666 458340800 /nfs/dbraw/zinc/34/08/00/458340800.db2.gz JLMKCCWNOMFJHD-GOEBONIOSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(Cl)c1O ZINC000459354667 458341351 /nfs/dbraw/zinc/34/13/51/458341351.db2.gz JLMKCCWNOMFJHD-HOCLYGCPSA-N 2 2 338.879 3.360 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(Cl)c1O ZINC000459354667 458341361 /nfs/dbraw/zinc/34/13/61/458341361.db2.gz JLMKCCWNOMFJHD-HOCLYGCPSA-N 2 2 338.879 3.360 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429548531 458344115 /nfs/dbraw/zinc/34/41/15/458344115.db2.gz QFVRESJQCMFCNR-FQEVSTJZSA-N 2 2 345.531 3.150 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429548531 458344117 /nfs/dbraw/zinc/34/41/17/458344117.db2.gz QFVRESJQCMFCNR-FQEVSTJZSA-N 2 2 345.531 3.150 20 0 EGADLP CC1(C)C[N@@H+](C2(CNC3CC[NH+](C4CC4)CC3)CCCCC2)CCO1 ZINC000459417977 458364325 /nfs/dbraw/zinc/36/43/25/458364325.db2.gz SJTGXBLFOQAMFU-UHFFFAOYSA-N 2 2 349.563 3.017 20 0 EGADLP CC1(C)C[N@H+](C2(CNC3CC[NH+](C4CC4)CC3)CCCCC2)CCO1 ZINC000459417977 458364329 /nfs/dbraw/zinc/36/43/29/458364329.db2.gz SJTGXBLFOQAMFU-UHFFFAOYSA-N 2 2 349.563 3.017 20 0 EGADLP Clc1cnn(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000459463666 458380055 /nfs/dbraw/zinc/38/00/55/458380055.db2.gz MUNBKVRBPOEXHL-IBGZPJMESA-N 2 2 344.890 3.135 20 0 EGADLP Clc1cnn(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000459463666 458380058 /nfs/dbraw/zinc/38/00/58/458380058.db2.gz MUNBKVRBPOEXHL-IBGZPJMESA-N 2 2 344.890 3.135 20 0 EGADLP Clc1cnn(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000459463666 458380066 /nfs/dbraw/zinc/38/00/66/458380066.db2.gz MUNBKVRBPOEXHL-IBGZPJMESA-N 2 2 344.890 3.135 20 0 EGADLP Clc1cnn(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000459463666 458380071 /nfs/dbraw/zinc/38/00/71/458380071.db2.gz MUNBKVRBPOEXHL-IBGZPJMESA-N 2 2 344.890 3.135 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000448020634 458380484 /nfs/dbraw/zinc/38/04/84/458380484.db2.gz DAGUHTUXBDQJMO-HNAYVOBHSA-N 2 2 334.504 3.345 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC000448020634 458380489 /nfs/dbraw/zinc/38/04/89/458380489.db2.gz DAGUHTUXBDQJMO-HNAYVOBHSA-N 2 2 334.504 3.345 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067636 458389760 /nfs/dbraw/zinc/38/97/60/458389760.db2.gz BVYBSZLEIUQTHA-ZFWWWQNUSA-N 2 2 348.384 3.329 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067636 458389763 /nfs/dbraw/zinc/38/97/63/458389763.db2.gz BVYBSZLEIUQTHA-ZFWWWQNUSA-N 2 2 348.384 3.329 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067633 458389879 /nfs/dbraw/zinc/38/98/79/458389879.db2.gz BVYBSZLEIUQTHA-DZGCQCFKSA-N 2 2 348.384 3.329 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C1 ZINC000373067633 458389882 /nfs/dbraw/zinc/38/98/82/458389882.db2.gz BVYBSZLEIUQTHA-DZGCQCFKSA-N 2 2 348.384 3.329 20 0 EGADLP Clc1ccc(OCC2CC2)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000430024903 458391265 /nfs/dbraw/zinc/39/12/65/458391265.db2.gz JRKDDKBQXHTRBP-INIZCTEOSA-N 2 2 331.847 3.430 20 0 EGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)cn1 ZINC000376833885 458400930 /nfs/dbraw/zinc/40/09/30/458400930.db2.gz KUQNSUIWEXEZPF-GFCCVEGCSA-N 2 2 344.365 3.405 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000373115597 458401143 /nfs/dbraw/zinc/40/11/43/458401143.db2.gz MHIIRQGSCPGSGG-QGZVFWFLSA-N 2 2 348.450 3.391 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000373115597 458401147 /nfs/dbraw/zinc/40/11/47/458401147.db2.gz MHIIRQGSCPGSGG-QGZVFWFLSA-N 2 2 348.450 3.391 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000430134348 458408437 /nfs/dbraw/zinc/40/84/37/458408437.db2.gz ORVXPVAZBFCGAQ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCC ZINC000430134348 458408440 /nfs/dbraw/zinc/40/84/40/458408440.db2.gz ORVXPVAZBFCGAQ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCC ZINC000430134348 458408443 /nfs/dbraw/zinc/40/84/43/458408443.db2.gz ORVXPVAZBFCGAQ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCC ZINC000430134348 458408447 /nfs/dbraw/zinc/40/84/47/458408447.db2.gz ORVXPVAZBFCGAQ-FQEVSTJZSA-N 2 2 332.488 3.402 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373216303 458432618 /nfs/dbraw/zinc/43/26/18/458432618.db2.gz ABRMUKKOAZCRIH-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373216303 458432620 /nfs/dbraw/zinc/43/26/20/458432620.db2.gz ABRMUKKOAZCRIH-KRWDZBQOSA-N 2 2 335.455 3.498 20 0 EGADLP COC[C@]1(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CCC[NH2+]1 ZINC000423439053 458433756 /nfs/dbraw/zinc/43/37/56/458433756.db2.gz VCNYMQBIZWALQZ-SUMWQHHRSA-N 2 2 328.403 3.016 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000373225128 458435118 /nfs/dbraw/zinc/43/51/18/458435118.db2.gz CJOCPEBTMWQQGB-MRXNPFEDSA-N 2 2 341.455 3.445 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000373225128 458435120 /nfs/dbraw/zinc/43/51/20/458435120.db2.gz CJOCPEBTMWQQGB-MRXNPFEDSA-N 2 2 341.455 3.445 20 0 EGADLP COCCCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373225922 458436690 /nfs/dbraw/zinc/43/66/90/458436690.db2.gz GSGRXXAXOGMWLJ-SFHVURJKSA-N 2 2 343.471 3.215 20 0 EGADLP COCCCOc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000373225922 458436696 /nfs/dbraw/zinc/43/66/96/458436696.db2.gz GSGRXXAXOGMWLJ-SFHVURJKSA-N 2 2 343.471 3.215 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc3cccc(C)n23)CC1 ZINC000373236801 458440258 /nfs/dbraw/zinc/44/02/58/458440258.db2.gz LLRIFIMCKAJPDP-UHFFFAOYSA-N 2 2 336.439 3.390 20 0 EGADLP Cc1ccc(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)nc1C ZINC000459667279 458441417 /nfs/dbraw/zinc/44/14/17/458441417.db2.gz MFEDCQNUCUGTRS-UHFFFAOYSA-N 2 2 330.501 3.211 20 0 EGADLP Cc1ccc(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)nc1C ZINC000459667279 458441420 /nfs/dbraw/zinc/44/14/20/458441420.db2.gz MFEDCQNUCUGTRS-UHFFFAOYSA-N 2 2 330.501 3.211 20 0 EGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000423515406 458448500 /nfs/dbraw/zinc/44/85/00/458448500.db2.gz NEIGNSUTBZJGCR-WBVHZDCISA-N 2 2 349.931 3.179 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000423527268 458452734 /nfs/dbraw/zinc/45/27/34/458452734.db2.gz MELACUDFXWXTEM-PXAZEXFGSA-N 2 2 347.894 3.397 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000430560980 458461850 /nfs/dbraw/zinc/46/18/50/458461850.db2.gz JHSQHBZRGIJHJI-JKSUJKDBSA-N 2 2 349.544 3.209 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000430560980 458461852 /nfs/dbraw/zinc/46/18/52/458461852.db2.gz JHSQHBZRGIJHJI-JKSUJKDBSA-N 2 2 349.544 3.209 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000430567970 458462206 /nfs/dbraw/zinc/46/22/06/458462206.db2.gz BSIZHQNKZSLQCK-JJRVBVJISA-N 2 2 337.533 3.011 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000430567970 458462207 /nfs/dbraw/zinc/46/22/07/458462207.db2.gz BSIZHQNKZSLQCK-JJRVBVJISA-N 2 2 337.533 3.011 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)ccc1F ZINC000430570650 458463187 /nfs/dbraw/zinc/46/31/87/458463187.db2.gz BUHBXPGIWSMQPD-VNHYZAJKSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)n2)ccc1F ZINC000430570650 458463193 /nfs/dbraw/zinc/46/31/93/458463193.db2.gz BUHBXPGIWSMQPD-VNHYZAJKSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)ccc1F ZINC000430570648 458463989 /nfs/dbraw/zinc/46/39/89/458463989.db2.gz BUHBXPGIWSMQPD-KCQAQPDRSA-N 2 2 332.423 3.304 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)n2)ccc1F ZINC000430570648 458463991 /nfs/dbraw/zinc/46/39/91/458463991.db2.gz BUHBXPGIWSMQPD-KCQAQPDRSA-N 2 2 332.423 3.304 20 0 EGADLP CCOc1ccc(-c2nc(C[NH+]3CCC([NH3+])CC3)cs2)cc1OC ZINC000430589947 458467628 /nfs/dbraw/zinc/46/76/28/458467628.db2.gz GJCJODSHGHRCKF-UHFFFAOYSA-N 2 2 347.484 3.141 20 0 EGADLP [NH3+]C1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430609958 458470138 /nfs/dbraw/zinc/47/01/38/458470138.db2.gz IYWJZSMLRNRHGZ-SFHVURJKSA-N 2 2 334.423 3.249 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619186 458472196 /nfs/dbraw/zinc/47/21/96/458472196.db2.gz ZQSMXLSUJCOGRZ-STQMWFEESA-N 2 2 334.851 3.382 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619186 458472202 /nfs/dbraw/zinc/47/22/02/458472202.db2.gz ZQSMXLSUJCOGRZ-STQMWFEESA-N 2 2 334.851 3.382 20 0 EGADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430922749 458506213 /nfs/dbraw/zinc/50/62/13/458506213.db2.gz AHTVWIBUDJRWPX-CQSZACIVSA-N 2 2 331.847 3.095 20 0 EGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430922749 458506221 /nfs/dbraw/zinc/50/62/21/458506221.db2.gz AHTVWIBUDJRWPX-CQSZACIVSA-N 2 2 331.847 3.095 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH2+]C)C3)cs2)cc1 ZINC000430952007 458509910 /nfs/dbraw/zinc/50/99/10/458509910.db2.gz XCMUKXUPCKAFBG-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH2+]C)C3)cs2)cc1 ZINC000430952007 458509916 /nfs/dbraw/zinc/50/99/16/458509916.db2.gz XCMUKXUPCKAFBG-AWEZNQCLSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000430959369 458511791 /nfs/dbraw/zinc/51/17/91/458511791.db2.gz YQJHVCJKXSDGOK-MRXNPFEDSA-N 2 2 331.504 3.413 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000430959369 458511794 /nfs/dbraw/zinc/51/17/94/458511794.db2.gz YQJHVCJKXSDGOK-MRXNPFEDSA-N 2 2 331.504 3.413 20 0 EGADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377760050 458514767 /nfs/dbraw/zinc/51/47/67/458514767.db2.gz INHNVKJTPBMGDF-QZTJIDSGSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377760050 458514768 /nfs/dbraw/zinc/51/47/68/458514768.db2.gz INHNVKJTPBMGDF-QZTJIDSGSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377760050 458514773 /nfs/dbraw/zinc/51/47/73/458514773.db2.gz INHNVKJTPBMGDF-QZTJIDSGSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC000377760050 458514778 /nfs/dbraw/zinc/51/47/78/458514778.db2.gz INHNVKJTPBMGDF-QZTJIDSGSA-N 2 2 325.431 3.175 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000431016070 458517752 /nfs/dbraw/zinc/51/77/52/458517752.db2.gz YMGKAVANOMEJTM-UHFFFAOYSA-N 2 2 338.430 3.077 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000377811225 458537723 /nfs/dbraw/zinc/53/77/23/458537723.db2.gz KJVSCGJSRZENGO-GOSISDBHSA-N 2 2 349.438 3.073 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000377811225 458537728 /nfs/dbraw/zinc/53/77/28/458537728.db2.gz KJVSCGJSRZENGO-GOSISDBHSA-N 2 2 349.438 3.073 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000377827133 458543077 /nfs/dbraw/zinc/54/30/77/458543077.db2.gz TWLFSCZZHBZFIX-CYBMUJFWSA-N 2 2 337.370 3.020 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000377827133 458543080 /nfs/dbraw/zinc/54/30/80/458543080.db2.gz TWLFSCZZHBZFIX-CYBMUJFWSA-N 2 2 337.370 3.020 20 0 EGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438186322 458547362 /nfs/dbraw/zinc/54/73/62/458547362.db2.gz NXEHSIAWAZUYLC-YLJYHZDGSA-N 2 2 330.516 3.476 20 0 EGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC[C@@H]1CCOC1 ZINC000438186322 458547365 /nfs/dbraw/zinc/54/73/65/458547365.db2.gz NXEHSIAWAZUYLC-YLJYHZDGSA-N 2 2 330.516 3.476 20 0 EGADLP CC[NH+](CC)[C@H](CNc1[nH+]c2ccc(F)cc2n1C)c1ccco1 ZINC000431429420 458573015 /nfs/dbraw/zinc/57/30/15/458573015.db2.gz JSPWWALDHFUJEK-MRXNPFEDSA-N 2 2 330.407 3.222 20 0 EGADLP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000493967472 458607984 /nfs/dbraw/zinc/60/79/84/458607984.db2.gz GRCJLLHMMHVRFX-QFBILLFUSA-N 2 2 334.504 3.242 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000462265182 458608322 /nfs/dbraw/zinc/60/83/22/458608322.db2.gz AKOOCPPAQOEYHA-VBSBHUPXSA-N 2 2 349.563 3.218 20 0 EGADLP CCC[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462265182 458608326 /nfs/dbraw/zinc/60/83/26/458608326.db2.gz AKOOCPPAQOEYHA-VBSBHUPXSA-N 2 2 349.563 3.218 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000494141337 458632589 /nfs/dbraw/zinc/63/25/89/458632589.db2.gz IVUSIGLRYZJETJ-DLBZAZTESA-N 2 2 348.491 3.137 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000494141337 458632592 /nfs/dbraw/zinc/63/25/92/458632592.db2.gz IVUSIGLRYZJETJ-DLBZAZTESA-N 2 2 348.491 3.137 20 0 EGADLP OCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(F)c1 ZINC000494231857 458643954 /nfs/dbraw/zinc/64/39/54/458643954.db2.gz WAWJHUCRVLCVSX-UHFFFAOYSA-N 2 2 325.387 3.006 20 0 EGADLP OCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(F)c1 ZINC000494231857 458643957 /nfs/dbraw/zinc/64/39/57/458643957.db2.gz WAWJHUCRVLCVSX-UHFFFAOYSA-N 2 2 325.387 3.006 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)c2cccc(C)c2)CC1 ZINC000546623136 458645606 /nfs/dbraw/zinc/64/56/06/458645606.db2.gz UIRBKWFBBOEBHS-QGZVFWFLSA-N 2 2 332.488 3.106 20 0 EGADLP Cc1nc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)c(C)[nH+]1 ZINC000439100545 458653329 /nfs/dbraw/zinc/65/33/29/458653329.db2.gz QWBXZKLKQFAORW-HNNXBMFYSA-N 2 2 325.460 3.434 20 0 EGADLP COc1ccc([C@H](C)[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c(OC)c1 ZINC000530217142 458720080 /nfs/dbraw/zinc/72/00/80/458720080.db2.gz FZQACWHKLNJDRN-ZDUSSCGKSA-N 2 2 345.443 3.010 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncccc1F ZINC000530224114 458723140 /nfs/dbraw/zinc/72/31/40/458723140.db2.gz QFRPSWRGTZMVIB-CRFBAAHOSA-N 2 2 327.403 3.127 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncccc1F ZINC000530224116 458723865 /nfs/dbraw/zinc/72/38/65/458723865.db2.gz QFRPSWRGTZMVIB-IYJAJMOOSA-N 2 2 327.403 3.127 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(Cl)cs3)CC2)CC1 ZINC000494941134 458769701 /nfs/dbraw/zinc/76/97/01/458769701.db2.gz NSTAYDSVLIYAAB-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724552 458774847 /nfs/dbraw/zinc/77/48/47/458774847.db2.gz ZRABZAYRWRXLNY-BNOWGMLFSA-N 2 2 348.434 3.450 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(F)(F)F)s1 ZINC000432724552 458774851 /nfs/dbraw/zinc/77/48/51/458774851.db2.gz ZRABZAYRWRXLNY-BNOWGMLFSA-N 2 2 348.434 3.450 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)NCc1c[nH+]c(C)cc1C)c1ccccc1 ZINC000456839197 458796343 /nfs/dbraw/zinc/79/63/43/458796343.db2.gz LZPIMBMXSFGZHD-IBGZPJMESA-N 2 2 325.456 3.398 20 0 EGADLP Cc1ccccc1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CCCC1 ZINC000495084376 458796691 /nfs/dbraw/zinc/79/66/91/458796691.db2.gz MKCWLYNKEGODLB-PMACEKPBSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CCCC1 ZINC000495084376 458796696 /nfs/dbraw/zinc/79/66/96/458796696.db2.gz MKCWLYNKEGODLB-PMACEKPBSA-N 2 2 343.515 3.156 20 0 EGADLP CCc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)o2)cc1 ZINC000465015698 458800236 /nfs/dbraw/zinc/80/02/36/458800236.db2.gz YOEVNDDDZIBGHS-LJQANCHMSA-N 2 2 342.483 3.445 20 0 EGADLP Fc1cc(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)ccc1-n1cc[nH+]c1 ZINC000440817370 458857707 /nfs/dbraw/zinc/85/77/07/458857707.db2.gz GLYVGNGVKCXVRK-UHFFFAOYSA-N 2 2 339.296 3.043 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000518790863 458894725 /nfs/dbraw/zinc/89/47/25/458894725.db2.gz PPYLSRQEUNVRDV-MSOLQXFVSA-N 2 2 332.513 3.243 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000518790863 458894729 /nfs/dbraw/zinc/89/47/29/458894729.db2.gz PPYLSRQEUNVRDV-MSOLQXFVSA-N 2 2 332.513 3.243 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346058 458925106 /nfs/dbraw/zinc/92/51/06/458925106.db2.gz IQBSMCLDKUSZBK-HKUYNNGSSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346058 458925109 /nfs/dbraw/zinc/92/51/09/458925109.db2.gz IQBSMCLDKUSZBK-HKUYNNGSSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346058 458925114 /nfs/dbraw/zinc/92/51/14/458925114.db2.gz IQBSMCLDKUSZBK-HKUYNNGSSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000441346058 458925118 /nfs/dbraw/zinc/92/51/18/458925118.db2.gz IQBSMCLDKUSZBK-HKUYNNGSSA-N 2 2 347.478 3.127 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368320 458928795 /nfs/dbraw/zinc/92/87/95/458928795.db2.gz SIBYAZKSYZWDDV-PZJWPPBQSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441368320 458928803 /nfs/dbraw/zinc/92/88/03/458928803.db2.gz SIBYAZKSYZWDDV-PZJWPPBQSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441368320 458928808 /nfs/dbraw/zinc/92/88/08/458928808.db2.gz SIBYAZKSYZWDDV-PZJWPPBQSA-N 2 2 345.531 3.306 20 0 EGADLP CC(C)[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441368320 458928815 /nfs/dbraw/zinc/92/88/15/458928815.db2.gz SIBYAZKSYZWDDV-PZJWPPBQSA-N 2 2 345.531 3.306 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466898630 458930599 /nfs/dbraw/zinc/93/05/99/458930599.db2.gz ZKLNQWVDBFMCSI-STZQEDGTSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466898630 458930604 /nfs/dbraw/zinc/93/06/04/458930604.db2.gz ZKLNQWVDBFMCSI-STZQEDGTSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000441392655 458936030 /nfs/dbraw/zinc/93/60/30/458936030.db2.gz DTQSAECOSXFYJK-HNAYVOBHSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000441392655 458936034 /nfs/dbraw/zinc/93/60/34/458936034.db2.gz DTQSAECOSXFYJK-HNAYVOBHSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000441392655 458936039 /nfs/dbraw/zinc/93/60/39/458936039.db2.gz DTQSAECOSXFYJK-HNAYVOBHSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000441392655 458936043 /nfs/dbraw/zinc/93/60/43/458936043.db2.gz DTQSAECOSXFYJK-HNAYVOBHSA-N 2 2 345.462 3.021 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1C ZINC000556242421 458942159 /nfs/dbraw/zinc/94/21/59/458942159.db2.gz YCOWMQWRHJWZOL-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1C ZINC000556242421 458942163 /nfs/dbraw/zinc/94/21/63/458942163.db2.gz YCOWMQWRHJWZOL-WIYYLYMNSA-N 2 2 338.495 3.373 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000475630685 458954166 /nfs/dbraw/zinc/95/41/66/458954166.db2.gz IDWUPBAHGDWRKT-BBRMVZONSA-N 2 2 330.394 3.100 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000475630685 458954173 /nfs/dbraw/zinc/95/41/73/458954173.db2.gz IDWUPBAHGDWRKT-BBRMVZONSA-N 2 2 330.394 3.100 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1CCCC1 ZINC000556379737 458955099 /nfs/dbraw/zinc/95/50/99/458955099.db2.gz RSQOQAGPBHWHCC-UHFFFAOYSA-N 2 2 344.503 3.138 20 0 EGADLP CCS[C@H](C)c1noc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000531968237 459009998 /nfs/dbraw/zinc/00/99/98/459009998.db2.gz GIQCXTSSFOKJQU-CQSZACIVSA-N 2 2 340.537 3.436 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754739 459031222 /nfs/dbraw/zinc/03/12/22/459031222.db2.gz IOHJISSMVFRSDD-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442754739 459031233 /nfs/dbraw/zinc/03/12/33/459031233.db2.gz IOHJISSMVFRSDD-CVEARBPZSA-N 2 2 339.439 3.087 20 0 EGADLP CCO[C@@H](CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000520219952 459041094 /nfs/dbraw/zinc/04/10/94/459041094.db2.gz PJCIKINLWKBEDR-PXNSSMCTSA-N 2 2 347.503 3.055 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]C2CCC(C(F)F)CC2)[N@H+](Cc2ccccc2)C1 ZINC000442814286 459042141 /nfs/dbraw/zinc/04/21/41/459042141.db2.gz CRPCEVLHELOMFZ-FOIPXRHGSA-N 2 2 338.442 3.035 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]C2CCC(C(F)F)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000442814286 459042145 /nfs/dbraw/zinc/04/21/45/459042145.db2.gz CRPCEVLHELOMFZ-FOIPXRHGSA-N 2 2 338.442 3.035 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)C(C)C)cc1 ZINC000567176076 459059440 /nfs/dbraw/zinc/05/94/40/459059440.db2.gz AZLOOYVWSFEQTL-OZOXKJRCSA-N 2 2 345.531 3.435 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C(C)C)cc1 ZINC000567176076 459059447 /nfs/dbraw/zinc/05/94/47/459059447.db2.gz AZLOOYVWSFEQTL-OZOXKJRCSA-N 2 2 345.531 3.435 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCCC2CCCCC2)CC1 ZINC000532408589 459082300 /nfs/dbraw/zinc/08/23/00/459082300.db2.gz HKWUEZDKWSNEHB-UHFFFAOYSA-N 2 2 337.552 3.269 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCCC2CCCCC2)CC1 ZINC000532408589 459082308 /nfs/dbraw/zinc/08/23/08/459082308.db2.gz HKWUEZDKWSNEHB-UHFFFAOYSA-N 2 2 337.552 3.269 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C)O[C@H](C)C2 ZINC000532454884 459091870 /nfs/dbraw/zinc/09/18/70/459091870.db2.gz SSWCVMJMJXIBKR-IIDMSEBBSA-N 2 2 332.488 3.229 20 0 EGADLP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)O[C@H](C)C2 ZINC000532454884 459091873 /nfs/dbraw/zinc/09/18/73/459091873.db2.gz SSWCVMJMJXIBKR-IIDMSEBBSA-N 2 2 332.488 3.229 20 0 EGADLP Cc1noc(C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc2)n1 ZINC000567640034 459138527 /nfs/dbraw/zinc/13/85/27/459138527.db2.gz ZXGYMEWKFHGHEQ-QYZOEREBSA-N 2 2 334.423 3.396 20 0 EGADLP C[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C1CC([NH3+])C1 ZINC000567740074 459158082 /nfs/dbraw/zinc/15/80/82/459158082.db2.gz LNTGNWHWVMJBNX-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP C[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C1CC([NH3+])C1 ZINC000567740074 459158083 /nfs/dbraw/zinc/15/80/83/459158083.db2.gz LNTGNWHWVMJBNX-UHFFFAOYSA-N 2 2 336.233 3.026 20 0 EGADLP COc1ccccc1-c1noc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)n1 ZINC000567781642 459167337 /nfs/dbraw/zinc/16/73/37/459167337.db2.gz LTNZCWYDGKSNMT-CQSZACIVSA-N 2 2 338.411 3.342 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244961 459170695 /nfs/dbraw/zinc/17/06/95/459170695.db2.gz XAIZLJWQSRDDSZ-RISCZKNCSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244961 459170699 /nfs/dbraw/zinc/17/06/99/459170699.db2.gz XAIZLJWQSRDDSZ-RISCZKNCSA-N 2 2 349.276 3.151 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000590691271 459183902 /nfs/dbraw/zinc/18/39/02/459183902.db2.gz SKFSXZTWPHBGKL-AWEZNQCLSA-N 2 2 333.819 3.160 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1Cl ZINC000590691271 459183905 /nfs/dbraw/zinc/18/39/05/459183905.db2.gz SKFSXZTWPHBGKL-AWEZNQCLSA-N 2 2 333.819 3.160 20 0 EGADLP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000558716060 459203159 /nfs/dbraw/zinc/20/31/59/459203159.db2.gz KJSVONMHYUYSTC-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000558716060 459203167 /nfs/dbraw/zinc/20/31/67/459203167.db2.gz KJSVONMHYUYSTC-INIZCTEOSA-N 2 2 339.439 3.336 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000480767780 459217380 /nfs/dbraw/zinc/21/73/80/459217380.db2.gz FJSUZDIGIXXQEI-AYOQOUSVSA-N 2 2 335.923 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000480767780 459217385 /nfs/dbraw/zinc/21/73/85/459217385.db2.gz FJSUZDIGIXXQEI-AYOQOUSVSA-N 2 2 335.923 3.407 20 0 EGADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000568128178 459231454 /nfs/dbraw/zinc/23/14/54/459231454.db2.gz KAMOJHWYTNDIPY-MRXNPFEDSA-N 2 2 325.412 3.040 20 0 EGADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000568128178 459231457 /nfs/dbraw/zinc/23/14/57/459231457.db2.gz KAMOJHWYTNDIPY-MRXNPFEDSA-N 2 2 325.412 3.040 20 0 EGADLP c1onc(Cc2ccccc2)c1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000559244334 459243384 /nfs/dbraw/zinc/24/33/84/459243384.db2.gz NPNHDEOJSFXFJM-UHFFFAOYSA-N 2 2 332.407 3.245 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097545 459244708 /nfs/dbraw/zinc/24/47/08/459244708.db2.gz WVUFXGCVHWBRIX-SNRMKQJTSA-N 2 2 330.472 3.242 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C(=O)OCC)c3ccccc32)C1 ZINC000595097545 459244712 /nfs/dbraw/zinc/24/47/12/459244712.db2.gz WVUFXGCVHWBRIX-SNRMKQJTSA-N 2 2 330.472 3.242 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312405 459251788 /nfs/dbraw/zinc/25/17/88/459251788.db2.gz TXQPNVFXJMOCBQ-NRFANRHFSA-N 2 2 343.515 3.340 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312405 459251792 /nfs/dbraw/zinc/25/17/92/459251792.db2.gz TXQPNVFXJMOCBQ-NRFANRHFSA-N 2 2 343.515 3.340 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312405 459251801 /nfs/dbraw/zinc/25/18/01/459251801.db2.gz TXQPNVFXJMOCBQ-NRFANRHFSA-N 2 2 343.515 3.340 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)Nc3ccccc3C(C)(C)C)C2)C1 ZINC000559312405 459251804 /nfs/dbraw/zinc/25/18/04/459251804.db2.gz TXQPNVFXJMOCBQ-NRFANRHFSA-N 2 2 343.515 3.340 20 0 EGADLP CCCC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000481976647 459282794 /nfs/dbraw/zinc/28/27/94/459282794.db2.gz VSRABQDRXIKXCO-MRXNPFEDSA-N 2 2 341.503 3.491 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(N2CCOC2=O)c1 ZINC000496695634 459290642 /nfs/dbraw/zinc/29/06/42/459290642.db2.gz DFHOZYSFASZGPU-PBHICJAKSA-N 2 2 331.460 3.072 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000582181812 459322332 /nfs/dbraw/zinc/32/23/32/459322332.db2.gz SIFXZAIOKXBMLW-OCCSQVGLSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000582181812 459322339 /nfs/dbraw/zinc/32/23/39/459322339.db2.gz SIFXZAIOKXBMLW-OCCSQVGLSA-N 2 2 334.851 3.046 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Cl)c(F)c1 ZINC000560422502 459341672 /nfs/dbraw/zinc/34/16/72/459341672.db2.gz RQSQPSAVSLGPOU-HIFRSBDPSA-N 2 2 328.859 3.223 20 0 EGADLP CC(C)OC(=O)CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595551800 459344410 /nfs/dbraw/zinc/34/44/10/459344410.db2.gz KZFVUZMLIAFLTI-UHFFFAOYSA-N 2 2 329.444 3.159 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000582480798 459372281 /nfs/dbraw/zinc/37/22/81/459372281.db2.gz AURTXWPVVYWIIM-ZHALLVOQSA-N 2 2 326.488 3.298 20 0 EGADLP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591869323 459459758 /nfs/dbraw/zinc/45/97/58/459459758.db2.gz PTMPICKEZBEZMC-GOSISDBHSA-N 2 2 325.391 3.045 20 0 EGADLP Fc1cccc(-n2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000591869323 459459765 /nfs/dbraw/zinc/45/97/65/459459765.db2.gz PTMPICKEZBEZMC-GOSISDBHSA-N 2 2 325.391 3.045 20 0 EGADLP CC(C)(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000595892125 459478512 /nfs/dbraw/zinc/47/85/12/459478512.db2.gz KYCJJDILNDSHLD-CABCVRRESA-N 2 2 330.394 3.371 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078372 459479063 /nfs/dbraw/zinc/47/90/63/459479063.db2.gz YPQMCMGWXOKKKI-HKUYNNGSSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000583078372 459479068 /nfs/dbraw/zinc/47/90/68/459479068.db2.gz YPQMCMGWXOKKKI-HKUYNNGSSA-N 3 2 338.499 3.447 20 0 EGADLP C[C@H](Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1)C1CCCC1 ZINC000526983351 459569995 /nfs/dbraw/zinc/56/99/95/459569995.db2.gz WVNNBCYQUPKMPB-HNNXBMFYSA-N 2 2 342.487 3.428 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000542765738 459590485 /nfs/dbraw/zinc/59/04/85/459590485.db2.gz NMQUYESABXGPRU-KZNAEPCWSA-N 2 2 343.519 3.309 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000498816350 459605575 /nfs/dbraw/zinc/60/55/75/459605575.db2.gz DWIFFXRIERQRHE-IBGZPJMESA-N 2 2 349.563 3.269 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000498816350 459605583 /nfs/dbraw/zinc/60/55/83/459605583.db2.gz DWIFFXRIERQRHE-IBGZPJMESA-N 2 2 349.563 3.269 20 0 EGADLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1ccncc1C)c1ccccc1 ZINC000573195421 459640595 /nfs/dbraw/zinc/64/05/95/459640595.db2.gz FHBWAKVUPMIETD-FQEVSTJZSA-N 2 2 327.472 3.189 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1ccncc1C)c1ccccc1 ZINC000573195421 459640599 /nfs/dbraw/zinc/64/05/99/459640599.db2.gz FHBWAKVUPMIETD-FQEVSTJZSA-N 2 2 327.472 3.189 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@@H+]1C1CC1 ZINC000499672785 459646051 /nfs/dbraw/zinc/64/60/51/459646051.db2.gz URYUOHPRPFSOJB-OCCSQVGLSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)C[N@H+]1C1CC1 ZINC000499672785 459646059 /nfs/dbraw/zinc/64/60/59/459646059.db2.gz URYUOHPRPFSOJB-OCCSQVGLSA-N 2 2 328.378 3.299 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000573236977 459647312 /nfs/dbraw/zinc/64/73/12/459647312.db2.gz SJUXOQSAZFHUQK-UHFFFAOYSA-N 2 2 336.439 3.353 20 0 EGADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2c[nH]c3nccnc23)c(C)c1 ZINC000573258844 459649777 /nfs/dbraw/zinc/64/97/77/459649777.db2.gz VEQGNOTXHFTAAJ-GOSISDBHSA-N 2 2 346.438 3.254 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000562837649 459657775 /nfs/dbraw/zinc/65/77/75/459657775.db2.gz ULNQRYADGPVNAL-LPHOPBHVSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000562837649 459657780 /nfs/dbraw/zinc/65/77/80/459657780.db2.gz ULNQRYADGPVNAL-LPHOPBHVSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000562837651 459657879 /nfs/dbraw/zinc/65/78/79/459657879.db2.gz ULNQRYADGPVNAL-VQIMIIECSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)co2)cc1 ZINC000562837651 459657885 /nfs/dbraw/zinc/65/78/85/459657885.db2.gz ULNQRYADGPVNAL-VQIMIIECSA-N 2 2 341.455 3.314 20 0 EGADLP [NH3+][C@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000573355362 459663677 /nfs/dbraw/zinc/66/36/77/459663677.db2.gz WCRVLPBFWGYZOP-JHOJWFKBSA-N 3 2 339.458 3.253 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(C(F)(F)F)c1 ZINC000527694854 459702690 /nfs/dbraw/zinc/70/26/90/459702690.db2.gz LRBAVQSLIRVULB-CYBMUJFWSA-N 2 2 325.334 3.015 20 0 EGADLP C[NH+](C)Cc1ccnc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000573624310 459707265 /nfs/dbraw/zinc/70/72/65/459707265.db2.gz VUNLZDYELRGCBE-QGZVFWFLSA-N 2 2 346.862 3.038 20 0 EGADLP c1ccc(C([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc2)cc1 ZINC000573794322 459735309 /nfs/dbraw/zinc/73/53/09/459735309.db2.gz FDOCLWANHXHIMU-UHFFFAOYSA-N 2 2 347.466 3.151 20 0 EGADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)[C@@H]3CC34CC4)CC2)cc1 ZINC000527902797 459769415 /nfs/dbraw/zinc/76/94/15/459769415.db2.gz GZUHWBZDFCSOEB-YWZLYKJASA-N 2 2 341.499 3.388 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000574168823 459788241 /nfs/dbraw/zinc/78/82/41/459788241.db2.gz JQSPARONYCKYIM-UYAOXDASSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)CCCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000574168823 459788245 /nfs/dbraw/zinc/78/82/45/459788245.db2.gz JQSPARONYCKYIM-UYAOXDASSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168823 459788249 /nfs/dbraw/zinc/78/82/49/459788249.db2.gz JQSPARONYCKYIM-UYAOXDASSA-N 3 2 340.515 3.338 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)CCCc2c[nH+]cn2C)CC[NH+]1Cc1ccccc1 ZINC000574168823 459788253 /nfs/dbraw/zinc/78/82/53/459788253.db2.gz JQSPARONYCKYIM-UYAOXDASSA-N 3 2 340.515 3.338 20 0 EGADLP Cc1ccc2cc[nH+]c(NCc3ccc(N4CCOCC4)[nH+]c3)c2c1 ZINC000566148555 459814636 /nfs/dbraw/zinc/81/46/36/459814636.db2.gz CZUGJWDRFBPBDX-UHFFFAOYSA-N 2 2 334.423 3.387 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000574512297 459828190 /nfs/dbraw/zinc/82/81/90/459828190.db2.gz OXCZARGPZQRVPF-IERDGZPVSA-N 2 2 337.467 3.489 20 0 EGADLP COc1cc(F)c(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1OC ZINC000566335670 459844126 /nfs/dbraw/zinc/84/41/26/459844126.db2.gz APHPDKORXKWNPY-UHFFFAOYSA-N 2 2 343.402 3.291 20 0 EGADLP O=C(CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1 ZINC000585810761 459853989 /nfs/dbraw/zinc/85/39/89/459853989.db2.gz DWMXZYWDQGTDFJ-FQEVSTJZSA-N 2 2 337.467 3.442 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689731 459971093 /nfs/dbraw/zinc/97/10/93/459971093.db2.gz QVVDOUGXXDOTKL-NVXWUHKLSA-N 2 2 332.875 3.484 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000588689731 459971101 /nfs/dbraw/zinc/97/11/01/459971101.db2.gz QVVDOUGXXDOTKL-NVXWUHKLSA-N 2 2 332.875 3.484 20 0 EGADLP C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000602533971 459986384 /nfs/dbraw/zinc/98/63/84/459986384.db2.gz YEORGIGKNJATFF-GFCCVEGCSA-N 2 2 331.803 3.418 20 0 EGADLP C[N@H+]1CC[C@@H](C(=O)Nc2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000602533971 459986391 /nfs/dbraw/zinc/98/63/91/459986391.db2.gz YEORGIGKNJATFF-GFCCVEGCSA-N 2 2 331.803 3.418 20 0 EGADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C(=O)OC)ccc1Cl ZINC000589196475 460051440 /nfs/dbraw/zinc/05/14/40/460051440.db2.gz FRWMOMOGMYEGGT-UHFFFAOYSA-N 2 2 338.879 3.434 20 0 EGADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C(=O)OC)ccc1Cl ZINC000589196475 460051443 /nfs/dbraw/zinc/05/14/43/460051443.db2.gz FRWMOMOGMYEGGT-UHFFFAOYSA-N 2 2 338.879 3.434 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050079 460058616 /nfs/dbraw/zinc/05/86/16/460058616.db2.gz YWQAQAXBSHONJN-IRXDYDNUSA-N 2 2 335.536 3.292 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000576050079 460058618 /nfs/dbraw/zinc/05/86/18/460058618.db2.gz YWQAQAXBSHONJN-IRXDYDNUSA-N 2 2 335.536 3.292 20 0 EGADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625215309 460075141 /nfs/dbraw/zinc/07/51/41/460075141.db2.gz AQENACMZOVGFGK-UHFFFAOYSA-N 2 2 326.375 3.092 20 0 EGADLP CCOC(=O)C(CC)(CC)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000602734128 460096456 /nfs/dbraw/zinc/09/64/56/460096456.db2.gz NXGIFAYPZZENNH-UHFFFAOYSA-N 2 2 347.503 3.005 20 0 EGADLP Cn1nc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc21 ZINC000589640753 460119019 /nfs/dbraw/zinc/11/90/19/460119019.db2.gz UGBPKCDURBSVHU-UHFFFAOYSA-N 2 2 331.423 3.108 20 0 EGADLP Fc1cccc(Cl)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517356 460315468 /nfs/dbraw/zinc/31/54/68/460315468.db2.gz RPALDSNDVAWJLK-AWEZNQCLSA-N 2 2 326.843 3.212 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439353 460365153 /nfs/dbraw/zinc/36/51/53/460365153.db2.gz YSHUMNVZDSTMED-RDTXWAMCSA-N 2 2 330.472 3.214 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611439353 460365158 /nfs/dbraw/zinc/36/51/58/460365158.db2.gz YSHUMNVZDSTMED-RDTXWAMCSA-N 2 2 330.472 3.214 20 0 EGADLP CC(C)(C)OC(=O)c1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000611497650 460377640 /nfs/dbraw/zinc/37/76/40/460377640.db2.gz MOPAABULHQXKTJ-UHFFFAOYSA-N 2 2 329.444 3.408 20 0 EGADLP COc1nc2ccccc2cc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089507 460407980 /nfs/dbraw/zinc/40/79/80/460407980.db2.gz KHRUHCMUBPHYOU-UHFFFAOYSA-N 2 2 349.425 3.310 20 0 EGADLP O=C(CCCn1cc[nH+]c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000623256697 460465053 /nfs/dbraw/zinc/46/50/53/460465053.db2.gz YXBSAJVQFJYQCL-UHFFFAOYSA-N 2 2 326.444 3.288 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703473 460486038 /nfs/dbraw/zinc/48/60/38/460486038.db2.gz WSBYMVFMIAIJNL-MJGOQNOKSA-N 2 2 345.512 3.129 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000634703473 460486043 /nfs/dbraw/zinc/48/60/43/460486043.db2.gz WSBYMVFMIAIJNL-MJGOQNOKSA-N 2 2 345.512 3.129 20 0 EGADLP c1[nH]nc2cccc(C[NH2+]CC3([NH+]4CCSCC4)CCCC3)c12 ZINC000623356909 460507890 /nfs/dbraw/zinc/50/78/90/460507890.db2.gz OGGSWOWDFUPXMJ-UHFFFAOYSA-N 2 2 330.501 3.014 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000629560700 460808404 /nfs/dbraw/zinc/80/84/04/460808404.db2.gz MXWBQGSFWIOVFF-NWDGAFQWSA-N 2 2 336.785 3.308 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000629560700 460808407 /nfs/dbraw/zinc/80/84/07/460808407.db2.gz MXWBQGSFWIOVFF-NWDGAFQWSA-N 2 2 336.785 3.308 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1C(F)(F)F ZINC000629561330 460808934 /nfs/dbraw/zinc/80/89/34/460808934.db2.gz HSPKDTDCFBICFY-HIFRSBDPSA-N 2 2 341.352 3.333 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1C(F)(F)F ZINC000629561330 460808941 /nfs/dbraw/zinc/80/89/41/460808941.db2.gz HSPKDTDCFBICFY-HIFRSBDPSA-N 2 2 341.352 3.333 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1C(F)(F)F ZINC000629561334 460809733 /nfs/dbraw/zinc/80/97/33/460809733.db2.gz HSPKDTDCFBICFY-ZFWWWQNUSA-N 2 2 341.352 3.333 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)CC[C@@H]1C(F)(F)F ZINC000629561334 460809739 /nfs/dbraw/zinc/80/97/39/460809739.db2.gz HSPKDTDCFBICFY-ZFWWWQNUSA-N 2 2 341.352 3.333 20 0 EGADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477135 460818718 /nfs/dbraw/zinc/81/87/18/460818718.db2.gz DWYQYYUSAKFHMI-FQEVSTJZSA-N 2 2 343.515 3.051 20 0 EGADLP CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477135 460818723 /nfs/dbraw/zinc/81/87/23/460818723.db2.gz DWYQYYUSAKFHMI-FQEVSTJZSA-N 2 2 343.515 3.051 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629655379 460849267 /nfs/dbraw/zinc/84/92/67/460849267.db2.gz KEUUIUQQIRCGET-OCCSQVGLSA-N 2 2 348.796 3.234 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629655379 460849271 /nfs/dbraw/zinc/84/92/71/460849271.db2.gz KEUUIUQQIRCGET-OCCSQVGLSA-N 2 2 348.796 3.234 20 0 EGADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624824 460860400 /nfs/dbraw/zinc/86/04/00/460860400.db2.gz NSUDCEQNBLCBHU-DNVCBOLYSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624824 460860405 /nfs/dbraw/zinc/86/04/05/460860405.db2.gz NSUDCEQNBLCBHU-DNVCBOLYSA-N 2 2 338.455 3.066 20 0 EGADLP c1nc2c([nH]1)[C@H](c1ccc(-c3ccc(N4CCCC4)[nH+]c3)cc1)[NH2+]CC2 ZINC000629710902 460881904 /nfs/dbraw/zinc/88/19/04/460881904.db2.gz YDJWRYKPPWVALT-FQEVSTJZSA-N 2 2 345.450 3.307 20 0 EGADLP C[NH+](C)CCOc1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000613282995 460895757 /nfs/dbraw/zinc/89/57/57/460895757.db2.gz MKQIBSCQKMCVCM-UHFFFAOYSA-N 2 2 336.439 3.425 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1Cl ZINC000635882626 460961798 /nfs/dbraw/zinc/96/17/98/460961798.db2.gz YPIWEGXJGJYBFP-QGZVFWFLSA-N 2 2 335.879 3.357 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1Cl ZINC000635882626 460961806 /nfs/dbraw/zinc/96/18/06/460961806.db2.gz YPIWEGXJGJYBFP-QGZVFWFLSA-N 2 2 335.879 3.357 20 0 EGADLP CCOc1cncc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000621327079 460990256 /nfs/dbraw/zinc/99/02/56/460990256.db2.gz AWZXJTVSCLLZFK-UHFFFAOYSA-N 2 2 325.456 3.018 20 0 EGADLP CCOc1cncc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000621327079 460990259 /nfs/dbraw/zinc/99/02/59/460990259.db2.gz AWZXJTVSCLLZFK-UHFFFAOYSA-N 2 2 325.456 3.018 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ncc1Br ZINC000628190582 461042664 /nfs/dbraw/zinc/04/26/64/461042664.db2.gz KKDIJXOYCFNLQY-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ncc1Br ZINC000628190582 461042668 /nfs/dbraw/zinc/04/26/68/461042668.db2.gz KKDIJXOYCFNLQY-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190582 461042674 /nfs/dbraw/zinc/04/26/74/461042674.db2.gz KKDIJXOYCFNLQY-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ncc1Br ZINC000628190582 461042680 /nfs/dbraw/zinc/04/26/80/461042680.db2.gz KKDIJXOYCFNLQY-BBRMVZONSA-N 2 2 338.293 3.069 20 0 EGADLP CC[C@H](OCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649601379 461211723 /nfs/dbraw/zinc/21/17/23/461211723.db2.gz MCZMMWOCFKKTDV-FPOVZHCZSA-N 2 2 346.515 3.199 20 0 EGADLP CC[C@H](OCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000649601379 461211729 /nfs/dbraw/zinc/21/17/29/461211729.db2.gz MCZMMWOCFKKTDV-FPOVZHCZSA-N 2 2 346.515 3.199 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000668282664 461225635 /nfs/dbraw/zinc/22/56/35/461225635.db2.gz XWYVBGKRJVKOCA-KZNAEPCWSA-N 2 2 338.499 3.313 20 0 EGADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000668282664 461225642 /nfs/dbraw/zinc/22/56/42/461225642.db2.gz XWYVBGKRJVKOCA-KZNAEPCWSA-N 2 2 338.499 3.313 20 0 EGADLP CC[N@@H+](Cc1cnc(OC)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638103766 461239221 /nfs/dbraw/zinc/23/92/21/461239221.db2.gz CBCBNBAYKLPMBB-UHFFFAOYSA-N 2 2 346.500 3.285 20 0 EGADLP CC[N@H+](Cc1cnc(OC)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000638103766 461239230 /nfs/dbraw/zinc/23/92/30/461239230.db2.gz CBCBNBAYKLPMBB-UHFFFAOYSA-N 2 2 346.500 3.285 20 0 EGADLP Fc1ccc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc2c1F ZINC000638112079 461247771 /nfs/dbraw/zinc/24/77/71/461247771.db2.gz JREGLGTWLHPHBD-CQSZACIVSA-N 2 2 331.410 3.431 20 0 EGADLP Fc1ccc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc2c1F ZINC000638112079 461247776 /nfs/dbraw/zinc/24/77/76/461247776.db2.gz JREGLGTWLHPHBD-CQSZACIVSA-N 2 2 331.410 3.431 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000641443810 461249427 /nfs/dbraw/zinc/24/94/27/461249427.db2.gz MBLDLZUWNBOXMJ-PMACEKPBSA-N 2 2 337.467 3.065 20 0 EGADLP OCc1cc[nH+]c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000641443810 461249433 /nfs/dbraw/zinc/24/94/33/461249433.db2.gz MBLDLZUWNBOXMJ-PMACEKPBSA-N 2 2 337.467 3.065 20 0 EGADLP CC(C)[NH+]1CCN(C2CCN(c3cc(C(C)(C)C)cc[nH+]3)CC2)CC1 ZINC000641466223 461258140 /nfs/dbraw/zinc/25/81/40/461258140.db2.gz TWRYCZIBIRMZBM-UHFFFAOYSA-N 2 2 344.547 3.374 20 0 EGADLP CC(C)N1CC[NH+](C2CCN(c3cc(C(C)(C)C)cc[nH+]3)CC2)CC1 ZINC000641466223 461258149 /nfs/dbraw/zinc/25/81/49/461258149.db2.gz TWRYCZIBIRMZBM-UHFFFAOYSA-N 2 2 344.547 3.374 20 0 EGADLP Cc1cc([NH+]2CCCC2)ccc1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638186484 461296768 /nfs/dbraw/zinc/29/67/68/461296768.db2.gz VBWZAQJLLFQIDU-UHFFFAOYSA-N 2 2 331.504 3.242 20 0 EGADLP CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000641661904 461310574 /nfs/dbraw/zinc/31/05/74/461310574.db2.gz PYWAGURKOJWLKD-UHFFFAOYSA-N 2 2 340.471 3.210 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)[C@H](C[NH3+])c3ccccc3)ccc2n1C1CC1 ZINC000646561990 461333393 /nfs/dbraw/zinc/33/33/93/461333393.db2.gz SCQGYSFIFMRGNM-GOSISDBHSA-N 2 2 348.450 3.038 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000633957272 461355401 /nfs/dbraw/zinc/35/54/01/461355401.db2.gz PYYJZNHYOZCFJN-UHFFFAOYSA-N 2 2 340.471 3.123 20 0 EGADLP Clc1cccc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655704464 461376550 /nfs/dbraw/zinc/37/65/50/461376550.db2.gz YTBSTUHPLYJYNJ-CYBMUJFWSA-N 2 2 329.271 3.336 20 0 EGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655719592 461389417 /nfs/dbraw/zinc/38/94/17/461389417.db2.gz XHMCEGNBUWLXIV-PMACEKPBSA-N 2 2 334.479 3.236 20 0 EGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)C1 ZINC000668740195 461410256 /nfs/dbraw/zinc/41/02/56/461410256.db2.gz GNOHWWSLHXKUSW-IBGZPJMESA-N 2 2 342.508 3.446 20 0 EGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)C1 ZINC000668740195 461410268 /nfs/dbraw/zinc/41/02/68/461410268.db2.gz GNOHWWSLHXKUSW-IBGZPJMESA-N 2 2 342.508 3.446 20 0 EGADLP Cc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCC(C)CC1 ZINC000653089413 461497357 /nfs/dbraw/zinc/49/73/57/461497357.db2.gz HCTJGFISSZPLMQ-FCUIKFHKSA-N 2 2 345.531 3.258 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850826 461497568 /nfs/dbraw/zinc/49/75/68/461497568.db2.gz ZFJCRCVDRHCQRW-UHOSZYNNSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850826 461497577 /nfs/dbraw/zinc/49/75/77/461497577.db2.gz ZFJCRCVDRHCQRW-UHOSZYNNSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850829 461498820 /nfs/dbraw/zinc/49/88/20/461498820.db2.gz ZFJCRCVDRHCQRW-YTQUADARSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850829 461498831 /nfs/dbraw/zinc/49/88/31/461498831.db2.gz ZFJCRCVDRHCQRW-YTQUADARSA-N 2 2 329.488 3.319 20 0 EGADLP C[NH+](C)CCC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647167175 461537341 /nfs/dbraw/zinc/53/73/41/461537341.db2.gz VSWKDPBNJKHQSY-UHFFFAOYSA-N 2 2 337.208 3.092 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012892 461544167 /nfs/dbraw/zinc/54/41/67/461544167.db2.gz VKTVORAVIIKRML-SWLSCSKDSA-N 2 2 328.378 3.343 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012892 461544171 /nfs/dbraw/zinc/54/41/71/461544171.db2.gz VKTVORAVIIKRML-SWLSCSKDSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012892 461544175 /nfs/dbraw/zinc/54/41/75/461544175.db2.gz VKTVORAVIIKRML-SWLSCSKDSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)CC[C@H]21 ZINC000660012892 461544179 /nfs/dbraw/zinc/54/41/79/461544179.db2.gz VKTVORAVIIKRML-SWLSCSKDSA-N 2 2 328.378 3.343 20 0 EGADLP C[NH+](C)CC1(C[NH2+]Cc2ccncc2Br)CCCC1 ZINC000631111428 461560168 /nfs/dbraw/zinc/56/01/68/461560168.db2.gz JABKEZJESAGVLF-UHFFFAOYSA-N 2 2 326.282 3.056 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660077795 461573214 /nfs/dbraw/zinc/57/32/14/461573214.db2.gz QEFRFZNUKXRFGV-XJKSGUPXSA-N 2 2 342.468 3.092 20 0 EGADLP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660077795 461573218 /nfs/dbraw/zinc/57/32/18/461573218.db2.gz QEFRFZNUKXRFGV-XJKSGUPXSA-N 2 2 342.468 3.092 20 0 EGADLP c1sc(-c2ccccn2)nc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347243 461576282 /nfs/dbraw/zinc/57/62/82/461576282.db2.gz HVEAJXOBGUGISJ-MRXNPFEDSA-N 2 2 342.512 3.417 20 0 EGADLP c1sc(-c2ccccn2)nc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347243 461576291 /nfs/dbraw/zinc/57/62/91/461576291.db2.gz HVEAJXOBGUGISJ-MRXNPFEDSA-N 2 2 342.512 3.417 20 0 EGADLP C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660158985 461613082 /nfs/dbraw/zinc/61/30/82/461613082.db2.gz YQOXBQOLZQQUJY-KAGYGMCKSA-N 2 2 341.543 3.064 20 0 EGADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660158985 461613086 /nfs/dbraw/zinc/61/30/86/461613086.db2.gz YQOXBQOLZQQUJY-KAGYGMCKSA-N 2 2 341.543 3.064 20 0 EGADLP Cc1c[nH+]c(C)nc1N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000656172637 461632630 /nfs/dbraw/zinc/63/26/30/461632630.db2.gz FRUNLEFAOPTSTL-HNNXBMFYSA-N 2 2 343.500 3.041 20 0 EGADLP Cc1c[nH+]c(C)nc1N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000656172637 461632638 /nfs/dbraw/zinc/63/26/38/461632638.db2.gz FRUNLEFAOPTSTL-HNNXBMFYSA-N 2 2 343.500 3.041 20 0 EGADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000638929691 461651486 /nfs/dbraw/zinc/65/14/86/461651486.db2.gz CSITZMTVTFATKN-GDBMZVCRSA-N 2 2 340.471 3.032 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000656250435 461671407 /nfs/dbraw/zinc/67/14/07/461671407.db2.gz REPVINDTQUIUGS-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000656250435 461671414 /nfs/dbraw/zinc/67/14/14/461671414.db2.gz REPVINDTQUIUGS-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000656250435 461671423 /nfs/dbraw/zinc/67/14/23/461671423.db2.gz REPVINDTQUIUGS-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000656250435 461671435 /nfs/dbraw/zinc/67/14/35/461671435.db2.gz REPVINDTQUIUGS-INIZCTEOSA-N 2 2 330.451 3.093 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254112 461676438 /nfs/dbraw/zinc/67/64/38/461676438.db2.gz ASQVOCWHRRXPAI-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254112 461676446 /nfs/dbraw/zinc/67/64/46/461676446.db2.gz ASQVOCWHRRXPAI-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254112 461676456 /nfs/dbraw/zinc/67/64/56/461676456.db2.gz ASQVOCWHRRXPAI-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000656254112 461676461 /nfs/dbraw/zinc/67/64/61/461676461.db2.gz ASQVOCWHRRXPAI-SFHVURJKSA-N 2 2 326.488 3.263 20 0 EGADLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)[NH+](C)C ZINC000639090520 461719732 /nfs/dbraw/zinc/71/97/32/461719732.db2.gz IDAZECGHYKXDAF-BOSXTWCSSA-N 2 2 331.504 3.023 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498472 461736626 /nfs/dbraw/zinc/73/66/26/461736626.db2.gz IESMQLXETJOJDN-DZGCQCFKSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498472 461736633 /nfs/dbraw/zinc/73/66/33/461736633.db2.gz IESMQLXETJOJDN-DZGCQCFKSA-N 2 2 326.868 3.307 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1[NH3+] ZINC000647497328 461737043 /nfs/dbraw/zinc/73/70/43/461737043.db2.gz CUNUYSOCDOXONL-IUODEOHRSA-N 2 2 345.468 3.098 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC[C@H]1[NH3+] ZINC000647497328 461737052 /nfs/dbraw/zinc/73/70/52/461737052.db2.gz CUNUYSOCDOXONL-IUODEOHRSA-N 2 2 345.468 3.098 20 0 EGADLP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])CCO2 ZINC000643482502 461743397 /nfs/dbraw/zinc/74/33/97/461743397.db2.gz UHLLSDGNPXSAHN-BEVDRBHNSA-N 2 2 340.467 3.457 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643515246 461750964 /nfs/dbraw/zinc/75/09/64/461750964.db2.gz QSDHLJDGUIOXMO-HOTGVXAUSA-N 2 2 341.293 3.258 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000643537682 461756758 /nfs/dbraw/zinc/75/67/58/461756758.db2.gz OGBBYWNSYUNASA-GMXVVIOVSA-N 2 2 345.281 3.276 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc2c1OCCCO2 ZINC000647553901 461764449 /nfs/dbraw/zinc/76/44/49/461764449.db2.gz MRARJRPTYHBCRW-INIZCTEOSA-N 2 2 336.863 3.266 20 0 EGADLP COc1cc(Cl)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000639161393 461773266 /nfs/dbraw/zinc/77/32/66/461773266.db2.gz DCAHOKJBYIFPJT-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP COc1cc(Cl)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000639161393 461773271 /nfs/dbraw/zinc/77/32/71/461773271.db2.gz DCAHOKJBYIFPJT-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000639161393 461773276 /nfs/dbraw/zinc/77/32/76/461773276.db2.gz DCAHOKJBYIFPJT-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP COc1cc(Cl)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000639161393 461773280 /nfs/dbraw/zinc/77/32/80/461773280.db2.gz DCAHOKJBYIFPJT-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000653653417 461786313 /nfs/dbraw/zinc/78/63/13/461786313.db2.gz PSTBPZFNWKEWBW-ZDUSSCGKSA-N 2 2 336.443 3.115 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666766840 461794237 /nfs/dbraw/zinc/79/42/37/461794237.db2.gz GLSBUVXBDZPWRZ-LJQANCHMSA-N 2 2 326.488 3.088 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000663775375 461800532 /nfs/dbraw/zinc/80/05/32/461800532.db2.gz PWLFHNJNGJJYEA-LSDHHAIUSA-N 2 2 340.471 3.078 20 0 EGADLP C[C@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000663775375 461800540 /nfs/dbraw/zinc/80/05/40/461800540.db2.gz PWLFHNJNGJJYEA-LSDHHAIUSA-N 2 2 340.471 3.078 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660484529 461806363 /nfs/dbraw/zinc/80/63/63/461806363.db2.gz PXLGRYAXPMSQKM-ICSRJNTNSA-N 2 2 328.500 3.151 20 0 EGADLP c1ccc2c(c1)CC[C@H]2CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660484529 461806368 /nfs/dbraw/zinc/80/63/68/461806368.db2.gz PXLGRYAXPMSQKM-ICSRJNTNSA-N 2 2 328.500 3.151 20 0 EGADLP CN(CCCC[NH+](C)C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000669906322 461832937 /nfs/dbraw/zinc/83/29/37/461832937.db2.gz WMVVJJVVAXBMID-UHFFFAOYSA-N 2 2 327.428 3.288 20 0 EGADLP CC1CC[NH+]([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647786253 461834718 /nfs/dbraw/zinc/83/47/18/461834718.db2.gz LQOAHXSXKQVJFQ-GXRSIYKFSA-N 3 2 341.543 3.437 20 0 EGADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000647788562 461836109 /nfs/dbraw/zinc/83/61/09/461836109.db2.gz MCVVMDJGVORTGF-MHTWAQMVSA-N 3 2 327.516 3.110 20 0 EGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798811 461841546 /nfs/dbraw/zinc/84/15/46/461841546.db2.gz XTATWCCMXPTTHU-QLFBSQMISA-N 3 2 330.863 3.003 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691354 461844561 /nfs/dbraw/zinc/84/45/61/461844561.db2.gz RFJRCYIFRPOHKJ-CTNGQTDRSA-N 2 2 342.483 3.075 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c2ccccc2)cc1 ZINC000656691354 461844565 /nfs/dbraw/zinc/84/45/65/461844565.db2.gz RFJRCYIFRPOHKJ-CTNGQTDRSA-N 2 2 342.483 3.075 20 0 EGADLP COc1cc2cc[nH+]c(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c2cc1OC ZINC000663904689 461863256 /nfs/dbraw/zinc/86/32/56/461863256.db2.gz DSDJFRAPVKCDDF-GOEBONIOSA-N 2 2 341.455 3.315 20 0 EGADLP CCOc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)c(C)c1 ZINC000656770397 461883510 /nfs/dbraw/zinc/88/35/10/461883510.db2.gz YNGUGFVSPABAMY-UHFFFAOYSA-N 2 2 340.471 3.153 20 0 EGADLP CC(C)n1ccnc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000656770870 461884014 /nfs/dbraw/zinc/88/40/14/461884014.db2.gz VBIPCZIPMREBNG-UHFFFAOYSA-N 2 2 342.491 3.002 20 0 EGADLP O=C(CCn1cc[nH+]c1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650682013 461885888 /nfs/dbraw/zinc/88/58/88/461885888.db2.gz ZVHFJQOMLAZBBW-UHFFFAOYSA-N 2 2 344.484 3.100 20 0 EGADLP CC1([NH3+])CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000647927914 461890270 /nfs/dbraw/zinc/89/02/70/461890270.db2.gz YQCQWCVMBZNGJB-UHFFFAOYSA-N 2 2 339.439 3.231 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCC(C)([NH3+])CC2)C(C)C)cc1 ZINC000647926718 461890506 /nfs/dbraw/zinc/89/05/06/461890506.db2.gz KGWOMZSLWGCGHT-HXUWFJFHSA-N 2 2 345.531 3.437 20 0 EGADLP CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCC(C)([NH3+])CC2)C(C)C)cc1 ZINC000647926717 461890605 /nfs/dbraw/zinc/89/06/05/461890605.db2.gz KGWOMZSLWGCGHT-FQEVSTJZSA-N 2 2 345.531 3.437 20 0 EGADLP O[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373482 461892918 /nfs/dbraw/zinc/89/29/18/461892918.db2.gz RAZVYDJXQAFQGP-GYIHYUDTSA-N 2 2 338.854 3.044 20 0 EGADLP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)C1 ZINC000639373482 461892924 /nfs/dbraw/zinc/89/29/24/461892924.db2.gz RAZVYDJXQAFQGP-GYIHYUDTSA-N 2 2 338.854 3.044 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H](C[NH3+])C3CCCC3)cs2)cc1 ZINC000666969754 461893507 /nfs/dbraw/zinc/89/35/07/461893507.db2.gz XYDUNBSYGMAEKF-QGZVFWFLSA-N 2 2 331.485 3.426 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647938926 461896324 /nfs/dbraw/zinc/89/63/24/461896324.db2.gz XDBOKXAWKPYUNS-FIXISWKDSA-N 2 2 344.286 3.380 20 0 EGADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1[NH3+] ZINC000647938926 461896328 /nfs/dbraw/zinc/89/63/28/461896328.db2.gz XDBOKXAWKPYUNS-FIXISWKDSA-N 2 2 344.286 3.380 20 0 EGADLP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Cl)c1OC ZINC000650708897 461904241 /nfs/dbraw/zinc/90/42/41/461904241.db2.gz TWUNOFXHVOPDNQ-KSSFIOAISA-N 2 2 338.879 3.308 20 0 EGADLP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Cl)c1OC ZINC000650708897 461904249 /nfs/dbraw/zinc/90/42/49/461904249.db2.gz TWUNOFXHVOPDNQ-KSSFIOAISA-N 2 2 338.879 3.308 20 0 EGADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000666997135 461904623 /nfs/dbraw/zinc/90/46/23/461904623.db2.gz YQMCNMJBYWKBHQ-ZDUSSCGKSA-N 2 2 327.241 3.353 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977457 461918240 /nfs/dbraw/zinc/91/82/40/461918240.db2.gz BPIORNKZOOYQMP-SJORKVTESA-N 2 2 332.492 3.329 20 0 EGADLP C(c1noc(C2CCCCC2)n1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977457 461918246 /nfs/dbraw/zinc/91/82/46/461918246.db2.gz BPIORNKZOOYQMP-SJORKVTESA-N 2 2 332.492 3.329 20 0 EGADLP CC(C)Cn1nccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000648029715 461949541 /nfs/dbraw/zinc/94/95/41/461949541.db2.gz SNGYUDJGFRNFNU-BGYRXZFFSA-N 2 2 338.499 3.103 20 0 EGADLP CC(C)Cn1nccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000648029715 461949546 /nfs/dbraw/zinc/94/95/46/461949546.db2.gz SNGYUDJGFRNFNU-BGYRXZFFSA-N 2 2 338.499 3.103 20 0 EGADLP CC(C)Cn1nccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000648029715 461949550 /nfs/dbraw/zinc/94/95/50/461949550.db2.gz SNGYUDJGFRNFNU-BGYRXZFFSA-N 2 2 338.499 3.103 20 0 EGADLP CC(C)Cn1nccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000648029715 461949555 /nfs/dbraw/zinc/94/95/55/461949555.db2.gz SNGYUDJGFRNFNU-BGYRXZFFSA-N 2 2 338.499 3.103 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)C[N@@H+]1Cc1ccccc1 ZINC000644423043 461953165 /nfs/dbraw/zinc/95/31/65/461953165.db2.gz MMWFYOZMPFZAFN-MXASKKJJSA-N 2 2 342.405 3.085 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000644423043 461953168 /nfs/dbraw/zinc/95/31/68/461953168.db2.gz MMWFYOZMPFZAFN-MXASKKJJSA-N 2 2 342.405 3.085 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)n1C ZINC000648050993 461958577 /nfs/dbraw/zinc/95/85/77/461958577.db2.gz FQIRIRTZVJPHSO-IBGZPJMESA-N 2 2 330.451 3.222 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)n1C ZINC000648050993 461958580 /nfs/dbraw/zinc/95/85/80/461958580.db2.gz FQIRIRTZVJPHSO-IBGZPJMESA-N 2 2 330.451 3.222 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)c1 ZINC000639533636 461975304 /nfs/dbraw/zinc/97/53/04/461975304.db2.gz RFQBFSJIHOASKA-HNNXBMFYSA-N 2 2 338.411 3.453 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)co2)c1 ZINC000639533636 461975307 /nfs/dbraw/zinc/97/53/07/461975307.db2.gz RFQBFSJIHOASKA-HNNXBMFYSA-N 2 2 338.411 3.453 20 0 EGADLP CCCCNC(=O)[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852950 461995723 /nfs/dbraw/zinc/99/57/23/461995723.db2.gz MJAIWKUISAXVID-HNNXBMFYSA-N 2 2 342.487 3.122 20 0 EGADLP CC[NH+](CC)[C@H](CNCc1c[nH+]c2n1CCC2)c1cccc(OC)c1 ZINC000657298170 462026572 /nfs/dbraw/zinc/02/65/72/462026572.db2.gz UBLGCSFVDRFFEK-LJQANCHMSA-N 2 2 342.487 3.011 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000657313266 462037991 /nfs/dbraw/zinc/03/79/91/462037991.db2.gz IHJCJMAAKAOHLI-UHFFFAOYSA-N 2 2 338.499 3.360 20 0 EGADLP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843037 462101914 /nfs/dbraw/zinc/10/19/14/462101914.db2.gz CHCRIVPVVALCHW-UZLBHIALSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000644843037 462101921 /nfs/dbraw/zinc/10/19/21/462101921.db2.gz CHCRIVPVVALCHW-UZLBHIALSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000644843037 462101929 /nfs/dbraw/zinc/10/19/29/462101929.db2.gz CHCRIVPVVALCHW-UZLBHIALSA-N 2 2 332.488 3.400 20 0 EGADLP CC[C@@H](C)Oc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000644843037 462101937 /nfs/dbraw/zinc/10/19/37/462101937.db2.gz CHCRIVPVVALCHW-UZLBHIALSA-N 2 2 332.488 3.400 20 0 EGADLP COc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c3n2CCC3)cc1OC ZINC000667493202 462109880 /nfs/dbraw/zinc/10/98/80/462109880.db2.gz MKYLCMQMBYFHFR-INIZCTEOSA-N 2 2 327.428 3.184 20 0 EGADLP COc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH+]c3n2CCC3)cc1OC ZINC000667493202 462109887 /nfs/dbraw/zinc/10/98/87/462109887.db2.gz MKYLCMQMBYFHFR-INIZCTEOSA-N 2 2 327.428 3.184 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000644901109 462124363 /nfs/dbraw/zinc/12/43/63/462124363.db2.gz JBOGKKZOFFFKAQ-IEBWSBKVSA-N 2 2 342.487 3.086 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)n1C ZINC000644901109 462124368 /nfs/dbraw/zinc/12/43/68/462124368.db2.gz JBOGKKZOFFFKAQ-IEBWSBKVSA-N 2 2 342.487 3.086 20 0 EGADLP CCc1nc2cc(C[NH2+]Cc3c[nH+]c4n3CCC4)ccc2n1C1CC1 ZINC000657463892 462139166 /nfs/dbraw/zinc/13/91/66/462139166.db2.gz NFUIAERRFWOVCI-UHFFFAOYSA-N 2 2 335.455 3.366 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000667561455 462144869 /nfs/dbraw/zinc/14/48/69/462144869.db2.gz XOEPAYUVOKMUCX-KRWDZBQOSA-N 2 2 330.520 3.241 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000667561455 462144875 /nfs/dbraw/zinc/14/48/75/462144875.db2.gz XOEPAYUVOKMUCX-KRWDZBQOSA-N 2 2 330.520 3.241 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000654314536 462158046 /nfs/dbraw/zinc/15/80/46/462158046.db2.gz NTZUBPUFYYPECK-SQNIBIBYSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000654314536 462158051 /nfs/dbraw/zinc/15/80/51/462158051.db2.gz NTZUBPUFYYPECK-SQNIBIBYSA-N 2 2 349.906 3.076 20 0 EGADLP Clc1ccccc1N1CC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657537981 462172039 /nfs/dbraw/zinc/17/20/39/462172039.db2.gz JJSLUCVIBNDMDJ-CQSZACIVSA-N 2 2 330.863 3.099 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000657537489 462172109 /nfs/dbraw/zinc/17/21/09/462172109.db2.gz MQDMHUPDLZMSIV-OWCLPIDISA-N 2 2 333.907 3.381 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000657537489 462172114 /nfs/dbraw/zinc/17/21/14/462172114.db2.gz MQDMHUPDLZMSIV-OWCLPIDISA-N 2 2 333.907 3.381 20 0 EGADLP Cc1[nH+]cc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1C ZINC000667670405 462202899 /nfs/dbraw/zinc/20/28/99/462202899.db2.gz NDTXSBZDXCIURX-CQSZACIVSA-N 2 2 332.879 3.261 20 0 EGADLP CCc1cccc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)oc21 ZINC000667670287 462203010 /nfs/dbraw/zinc/20/30/10/462203010.db2.gz JEFCNSMOEGEZRP-INIZCTEOSA-N 2 2 328.456 3.149 20 0 EGADLP CCc1cccc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)oc21 ZINC000667670287 462203016 /nfs/dbraw/zinc/20/30/16/462203016.db2.gz JEFCNSMOEGEZRP-INIZCTEOSA-N 2 2 328.456 3.149 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CC[NH+](Cc4ccncc4)CC3)n2c1 ZINC000657613193 462204607 /nfs/dbraw/zinc/20/46/07/462204607.db2.gz HUUTZZSBNBPABF-UHFFFAOYSA-N 3 2 349.482 3.040 20 0 EGADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667687669 462214757 /nfs/dbraw/zinc/21/47/57/462214757.db2.gz UCHFIFFSFZLIJU-INIZCTEOSA-N 2 2 335.455 3.152 20 0 EGADLP COCc1csc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000657659172 462219549 /nfs/dbraw/zinc/21/95/49/462219549.db2.gz DSIRUDGYWFGJQH-UHFFFAOYSA-N 2 2 336.423 3.401 20 0 EGADLP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000657689437 462231646 /nfs/dbraw/zinc/23/16/46/462231646.db2.gz XLJOHVUUGXMFAB-QUCCMNQESA-N 2 2 335.455 3.107 20 0 EGADLP c1cc(-c2nc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cs2)cs1 ZINC000657750169 462250134 /nfs/dbraw/zinc/25/01/34/462250134.db2.gz CFHAYZJOJQCQQN-INIZCTEOSA-N 2 2 349.525 3.215 20 0 EGADLP Clc1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657751967 462251214 /nfs/dbraw/zinc/25/12/14/462251214.db2.gz WXWVYGVXGLDAQF-MRXNPFEDSA-N 2 2 329.271 3.336 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753064 462251583 /nfs/dbraw/zinc/25/15/83/462251583.db2.gz MWABYFZIMPQLHQ-ZHALLVOQSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000657753064 462251591 /nfs/dbraw/zinc/25/15/91/462251591.db2.gz MWABYFZIMPQLHQ-ZHALLVOQSA-N 2 2 343.515 3.059 20 0 EGADLP Clc1scc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1Cl ZINC000657753485 462253550 /nfs/dbraw/zinc/25/35/50/462253550.db2.gz WRVVHVUIKLBCNB-LBPRGKRZSA-N 2 2 335.300 3.398 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1-c1ccccc1 ZINC000657813536 462279918 /nfs/dbraw/zinc/27/99/18/462279918.db2.gz QQYHUKYAYCVNLP-UHFFFAOYSA-N 3 2 338.499 3.392 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000651650207 462289400 /nfs/dbraw/zinc/28/94/00/462289400.db2.gz GZYLDALVOKKRNL-CJNGLKHVSA-N 2 2 333.407 3.123 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000651650207 462289404 /nfs/dbraw/zinc/28/94/04/462289404.db2.gz GZYLDALVOKKRNL-CJNGLKHVSA-N 2 2 333.407 3.123 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)CC1 ZINC000657902334 462312701 /nfs/dbraw/zinc/31/27/01/462312701.db2.gz ZKPDMWLWFQCCCD-QGZVFWFLSA-N 2 2 330.516 3.197 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cnnn1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000651729758 462318684 /nfs/dbraw/zinc/31/86/84/462318684.db2.gz QQMQXMCEMBXMKD-SFHVURJKSA-N 2 2 349.482 3.268 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cnnn1-c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000651729758 462318690 /nfs/dbraw/zinc/31/86/90/462318690.db2.gz QQMQXMCEMBXMKD-SFHVURJKSA-N 2 2 349.482 3.268 20 0 EGADLP c1c2cnccc2oc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000651790631 462335396 /nfs/dbraw/zinc/33/53/96/462335396.db2.gz FIQPASOQAOKBLG-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2cnccc2oc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000651790631 462335401 /nfs/dbraw/zinc/33/54/01/462335401.db2.gz FIQPASOQAOKBLG-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2cnccc2oc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000651790631 462335404 /nfs/dbraw/zinc/33/54/04/462335404.db2.gz FIQPASOQAOKBLG-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP c1c2cnccc2oc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000651790631 462335408 /nfs/dbraw/zinc/33/54/08/462335408.db2.gz FIQPASOQAOKBLG-KDURUIRLSA-N 2 2 333.435 3.392 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000651810703 462344572 /nfs/dbraw/zinc/34/45/72/462344572.db2.gz AWIWZHRGLAJJTD-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000651810703 462344577 /nfs/dbraw/zinc/34/45/77/462344577.db2.gz AWIWZHRGLAJJTD-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000651810703 462344582 /nfs/dbraw/zinc/34/45/82/462344582.db2.gz AWIWZHRGLAJJTD-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000651810703 462344589 /nfs/dbraw/zinc/34/45/89/462344589.db2.gz AWIWZHRGLAJJTD-OXJNMPFZSA-N 2 2 326.488 3.261 20 0 EGADLP Cc1cccn2c(NC(=O)N3CCC(C)([NH+]4CCCC4)CC3)c[nH+]c12 ZINC000640361428 462371738 /nfs/dbraw/zinc/37/17/38/462371738.db2.gz WSRHLFYORWYEPU-UHFFFAOYSA-N 2 2 341.459 3.125 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000665295666 462390303 /nfs/dbraw/zinc/39/03/03/462390303.db2.gz HLWVQQLWONLOER-BFVZDQMLSA-N 2 2 329.307 3.430 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000665296609 462390565 /nfs/dbraw/zinc/39/05/65/462390565.db2.gz VIWPSRIOEIUAFE-IUODEOHRSA-N 2 2 329.282 3.114 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@]3(C)CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000652038309 462413601 /nfs/dbraw/zinc/41/36/01/462413601.db2.gz POFHWCNMOYRMPT-HXUWFJFHSA-N 2 2 335.455 3.021 20 0 EGADLP Cc1[nH]nc2ncc(C[NH2+][C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000652038309 462413607 /nfs/dbraw/zinc/41/36/07/462413607.db2.gz POFHWCNMOYRMPT-HXUWFJFHSA-N 2 2 335.455 3.021 20 0 EGADLP c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000658229960 462437244 /nfs/dbraw/zinc/43/72/44/462437244.db2.gz VNDZNMRZJXYEOX-SFHVURJKSA-N 3 2 328.504 3.047 20 0 EGADLP c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000658229960 462437246 /nfs/dbraw/zinc/43/72/46/462437246.db2.gz VNDZNMRZJXYEOX-SFHVURJKSA-N 3 2 328.504 3.047 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C)ccc1OC ZINC000658292714 462459928 /nfs/dbraw/zinc/45/99/28/462459928.db2.gz ACKMNNMMBFQDTE-MJGOQNOKSA-N 2 2 332.488 3.298 20 0 EGADLP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658297143 462462449 /nfs/dbraw/zinc/46/24/49/462462449.db2.gz YMEFZWIWYWQQGI-MAUKXSAKSA-N 2 2 328.456 3.207 20 0 EGADLP C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658312255 462471987 /nfs/dbraw/zinc/47/19/87/462471987.db2.gz SCZGJDYDSZSMGN-JXFKEZNVSA-N 2 2 343.471 3.091 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000658313783 462473891 /nfs/dbraw/zinc/47/38/91/462473891.db2.gz FSYZMDCAKFIYMI-LSTHTHJFSA-N 2 2 331.504 3.087 20 0 EGADLP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000658313783 462473894 /nfs/dbraw/zinc/47/38/94/462473894.db2.gz FSYZMDCAKFIYMI-LSTHTHJFSA-N 2 2 331.504 3.087 20 0 EGADLP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000649370444 462490304 /nfs/dbraw/zinc/49/03/04/462490304.db2.gz OULUPHDIXQGYCT-MRXNPFEDSA-N 2 2 337.423 3.278 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(C(F)(F)F)c1)CCO2 ZINC000646103961 462518672 /nfs/dbraw/zinc/51/86/72/462518672.db2.gz UKIPLCUZOPDDTD-UHFFFAOYSA-N 2 2 328.378 3.002 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)CCO2 ZINC000646103961 462518674 /nfs/dbraw/zinc/51/86/74/462518674.db2.gz UKIPLCUZOPDDTD-UHFFFAOYSA-N 2 2 328.378 3.002 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970480 527841422 /nfs/dbraw/zinc/84/14/22/527841422.db2.gz CTISHSNLOSYSBY-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970480 527841427 /nfs/dbraw/zinc/84/14/27/527841427.db2.gz CTISHSNLOSYSBY-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970480 527841431 /nfs/dbraw/zinc/84/14/31/527841431.db2.gz CTISHSNLOSYSBY-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000174970480 527841436 /nfs/dbraw/zinc/84/14/36/527841436.db2.gz CTISHSNLOSYSBY-HOTGVXAUSA-N 2 2 349.544 3.399 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000174538882 527871039 /nfs/dbraw/zinc/87/10/39/527871039.db2.gz XXFMERYDRRBIFP-QGTPRVQTSA-N 2 2 329.419 3.305 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000191772384 528104550 /nfs/dbraw/zinc/10/45/50/528104550.db2.gz OAZAFOUIIJNTKO-UHFFFAOYSA-N 2 2 332.488 3.322 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)co2)cc1 ZINC000153901758 528354185 /nfs/dbraw/zinc/35/41/85/528354185.db2.gz DHLDZOYQUDKIOS-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)co2)cc1 ZINC000153901758 528354190 /nfs/dbraw/zinc/35/41/90/528354190.db2.gz DHLDZOYQUDKIOS-OAHLLOKOSA-N 2 2 329.444 3.124 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000246955595 535598521 /nfs/dbraw/zinc/59/85/21/535598521.db2.gz AVOCRFNHDAXAJB-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000246955595 535598526 /nfs/dbraw/zinc/59/85/26/535598526.db2.gz AVOCRFNHDAXAJB-HZPDHXFCSA-N 2 2 349.544 3.399 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231669387 536175560 /nfs/dbraw/zinc/17/55/60/536175560.db2.gz HIHBEXXQSSJQKJ-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231669387 536175565 /nfs/dbraw/zinc/17/55/65/536175565.db2.gz HIHBEXXQSSJQKJ-LLVKDONJSA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003531 536464378 /nfs/dbraw/zinc/46/43/78/536464378.db2.gz SWWJGDWRMACBHW-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003531 536464381 /nfs/dbraw/zinc/46/43/81/536464381.db2.gz SWWJGDWRMACBHW-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003531 536464383 /nfs/dbraw/zinc/46/43/83/536464383.db2.gz SWWJGDWRMACBHW-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccccc3OCc3ccncc3)[C@@H]2C1 ZINC000353003531 536464386 /nfs/dbraw/zinc/46/43/86/536464386.db2.gz SWWJGDWRMACBHW-UYAOXDASSA-N 2 2 337.467 3.187 20 0 EGADLP COc1ccc(C)cc1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000359616267 536806819 /nfs/dbraw/zinc/80/68/19/536806819.db2.gz BGYQMKOLTQDCMX-UHFFFAOYSA-N 2 2 339.483 3.195 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)cc1O ZINC000344565396 536898807 /nfs/dbraw/zinc/89/88/07/536898807.db2.gz PJZTYPKHXXKMNL-VQIMIIECSA-N 2 2 340.467 3.401 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)cc1O ZINC000344565396 536898808 /nfs/dbraw/zinc/89/88/08/536898808.db2.gz PJZTYPKHXXKMNL-VQIMIIECSA-N 2 2 340.467 3.401 20 0 EGADLP C[N@@H+](Cc1cn2ccccc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109678 546583900 /nfs/dbraw/zinc/58/39/00/546583900.db2.gz RYPDIYQRNXQKJH-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cn2ccccc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109678 546583907 /nfs/dbraw/zinc/58/39/07/546583907.db2.gz RYPDIYQRNXQKJH-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cn2ccccc2n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109678 546583913 /nfs/dbraw/zinc/58/39/13/546583913.db2.gz RYPDIYQRNXQKJH-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cn2ccccc2n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109678 546583920 /nfs/dbraw/zinc/58/39/20/546583920.db2.gz RYPDIYQRNXQKJH-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP Cc1noc(C)c1CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185418 546654270 /nfs/dbraw/zinc/65/42/70/546654270.db2.gz BDRQRBGIXOXXHZ-SFHVURJKSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1noc(C)c1CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090185418 546654273 /nfs/dbraw/zinc/65/42/73/546654273.db2.gz BDRQRBGIXOXXHZ-SFHVURJKSA-N 2 2 327.472 3.477 20 0 EGADLP CCN(CC)C(=O)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169437 546654332 /nfs/dbraw/zinc/65/43/32/546654332.db2.gz WTNIEAVKRBVNKZ-IBGZPJMESA-N 2 2 345.531 3.278 20 0 EGADLP CCN(CC)C(=O)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090169437 546654336 /nfs/dbraw/zinc/65/43/36/546654336.db2.gz WTNIEAVKRBVNKZ-IBGZPJMESA-N 2 2 345.531 3.278 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)CC1 ZINC000120518070 546715467 /nfs/dbraw/zinc/71/54/67/546715467.db2.gz PZGPCDONWKQZEM-LJQANCHMSA-N 2 2 332.488 3.127 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000155444318 546903003 /nfs/dbraw/zinc/90/30/03/546903003.db2.gz QWEUHOVHMBXULQ-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000155444318 546903005 /nfs/dbraw/zinc/90/30/05/546903005.db2.gz QWEUHOVHMBXULQ-NRFANRHFSA-N 2 2 337.467 3.399 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](c2nc(-c3ccncc3)no2)C(C)C)CC1 ZINC000162696613 546967072 /nfs/dbraw/zinc/96/70/72/546967072.db2.gz WZAWCYTYIWLWGN-KRWDZBQOSA-N 2 2 343.475 3.293 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000166306810 546988119 /nfs/dbraw/zinc/98/81/19/546988119.db2.gz JMSJOXDGMWICSQ-DLBZAZTESA-N 3 2 328.435 3.036 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000166306810 546988123 /nfs/dbraw/zinc/98/81/23/546988123.db2.gz JMSJOXDGMWICSQ-DLBZAZTESA-N 3 2 328.435 3.036 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390570371 547827731 /nfs/dbraw/zinc/82/77/31/547827731.db2.gz BHRFENIDWXZZFF-HXUWFJFHSA-N 2 2 340.515 3.373 20 0 EGADLP CCc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390570371 547827736 /nfs/dbraw/zinc/82/77/36/547827736.db2.gz BHRFENIDWXZZFF-HXUWFJFHSA-N 2 2 340.515 3.373 20 0 EGADLP CCOc1ccccc1C[N@@H+]1CCN(c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000440678730 547912196 /nfs/dbraw/zinc/91/21/96/547912196.db2.gz ZNACXPPGVILZHM-MRXNPFEDSA-N 2 2 340.471 3.203 20 0 EGADLP CCOc1ccccc1C[N@H+]1CCN(c2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000440678730 547912199 /nfs/dbraw/zinc/91/21/99/547912199.db2.gz ZNACXPPGVILZHM-MRXNPFEDSA-N 2 2 340.471 3.203 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459319471 547941956 /nfs/dbraw/zinc/94/19/56/547941956.db2.gz DOCBGWXXSRKMPH-QGZVFWFLSA-N 2 2 328.504 3.298 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459319471 547941963 /nfs/dbraw/zinc/94/19/63/547941963.db2.gz DOCBGWXXSRKMPH-QGZVFWFLSA-N 2 2 328.504 3.298 20 0 EGADLP C[C@@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C(C)(C)C ZINC000670266984 548194303 /nfs/dbraw/zinc/19/43/03/548194303.db2.gz LFXPGGMHXJGLHM-KRWDZBQOSA-N 2 2 334.504 3.169 20 0 EGADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000675735555 548970287 /nfs/dbraw/zinc/97/02/87/548970287.db2.gz NQLYEUWKVPQGRE-FTRWYGJKSA-N 2 2 332.488 3.162 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000675809526 548986354 /nfs/dbraw/zinc/98/63/54/548986354.db2.gz JRDCRYKXZIRUNV-BPUTZDHNSA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2nc(C)cs2)[C@@H](C)C1 ZINC000675809526 548986357 /nfs/dbraw/zinc/98/63/57/548986357.db2.gz JRDCRYKXZIRUNV-BPUTZDHNSA-N 2 2 325.522 3.239 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1 ZINC000678082038 549393136 /nfs/dbraw/zinc/39/31/36/549393136.db2.gz HSFJIDVOTAGHDT-PKOBYXMFSA-N 2 2 343.515 3.087 20 0 EGADLP Cc1cc(C)c([C@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1 ZINC000678082038 549393139 /nfs/dbraw/zinc/39/31/39/549393139.db2.gz HSFJIDVOTAGHDT-PKOBYXMFSA-N 2 2 343.515 3.087 20 0 EGADLP Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235459 549435680 /nfs/dbraw/zinc/43/56/80/549435680.db2.gz UHKLOQHAMZRQBR-CYBMUJFWSA-N 2 2 336.233 3.188 20 0 EGADLP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235459 549435684 /nfs/dbraw/zinc/43/56/84/549435684.db2.gz UHKLOQHAMZRQBR-CYBMUJFWSA-N 2 2 336.233 3.188 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)c1OC ZINC000678235287 549436350 /nfs/dbraw/zinc/43/63/50/549436350.db2.gz QDYMCYKVMMIZPL-CQSZACIVSA-N 2 2 335.835 3.391 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)c1OC ZINC000678235287 549436353 /nfs/dbraw/zinc/43/63/53/549436353.db2.gz QDYMCYKVMMIZPL-CQSZACIVSA-N 2 2 335.835 3.391 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n2c1 ZINC000678282563 549459220 /nfs/dbraw/zinc/45/92/20/549459220.db2.gz YZKHWPFIFUAGAE-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]cc(CN3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)n2c1 ZINC000678282563 549459222 /nfs/dbraw/zinc/45/92/22/549459222.db2.gz YZKHWPFIFUAGAE-LJQANCHMSA-N 2 2 334.467 3.349 20 0 EGADLP CC[N@H+](CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1)CC(C)C ZINC000678652651 549541923 /nfs/dbraw/zinc/54/19/23/549541923.db2.gz HHFHQJKKVLNOEP-UHFFFAOYSA-N 2 2 348.535 3.270 20 0 EGADLP CC[N@@H+](CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1)CC(C)C ZINC000678652651 549541930 /nfs/dbraw/zinc/54/19/30/549541930.db2.gz HHFHQJKKVLNOEP-UHFFFAOYSA-N 2 2 348.535 3.270 20 0 EGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000678774512 549558419 /nfs/dbraw/zinc/55/84/19/549558419.db2.gz KEWXHCHPNFNRCK-KRWDZBQOSA-N 3 2 330.520 3.071 20 0 EGADLP Cn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2cccs2)n1 ZINC000678823319 549570256 /nfs/dbraw/zinc/57/02/56/549570256.db2.gz PICFRYGTWSLJIM-HNNXBMFYSA-N 2 2 327.457 3.182 20 0 EGADLP Cn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2cccs2)n1 ZINC000678823319 549570260 /nfs/dbraw/zinc/57/02/60/549570260.db2.gz PICFRYGTWSLJIM-HNNXBMFYSA-N 2 2 327.457 3.182 20 0 EGADLP CCc1nnc(C[N@@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000680070841 549815686 /nfs/dbraw/zinc/81/56/86/549815686.db2.gz VCWGFEFVUAVYQQ-CQSZACIVSA-N 2 2 341.484 3.423 20 0 EGADLP CCc1nnc(C[N@H+]2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)s1 ZINC000680070841 549815688 /nfs/dbraw/zinc/81/56/88/549815688.db2.gz VCWGFEFVUAVYQQ-CQSZACIVSA-N 2 2 341.484 3.423 20 0 EGADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000680260215 549840788 /nfs/dbraw/zinc/84/07/88/549840788.db2.gz RXNJWAACATWNQL-MRXNPFEDSA-N 2 2 332.835 3.042 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000681095343 549953417 /nfs/dbraw/zinc/95/34/17/549953417.db2.gz SBZHLFMTLJSEDM-FQEVSTJZSA-N 2 2 340.515 3.394 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000681095343 549953420 /nfs/dbraw/zinc/95/34/20/549953420.db2.gz SBZHLFMTLJSEDM-FQEVSTJZSA-N 2 2 340.515 3.394 20 0 EGADLP COC1CC[NH+](CC[NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000682373693 550090941 /nfs/dbraw/zinc/09/09/41/550090941.db2.gz JFWRMVKZFWZCNV-UHFFFAOYSA-N 2 2 330.394 3.214 20 0 EGADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078774 550187602 /nfs/dbraw/zinc/18/76/02/550187602.db2.gz IJWDCLZRMIPRTG-LSDHHAIUSA-N 2 2 345.491 3.109 20 0 EGADLP CC[N@@H+](Cc1oc(C)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000683898646 550271706 /nfs/dbraw/zinc/27/17/06/550271706.db2.gz QTCWDUGJOMGRQA-UHFFFAOYSA-N 2 2 328.460 3.425 20 0 EGADLP CC[N@H+](Cc1oc(C)nc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000683898646 550271708 /nfs/dbraw/zinc/27/17/08/550271708.db2.gz QTCWDUGJOMGRQA-UHFFFAOYSA-N 2 2 328.460 3.425 20 0 EGADLP C[NH+](C)CCN(Cc1c[nH+]c2ccccn12)Cc1ccc(F)c(F)c1 ZINC000685455537 550418268 /nfs/dbraw/zinc/41/82/68/550418268.db2.gz NEJTUUHDAZLGDN-UHFFFAOYSA-N 2 2 344.409 3.176 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2cnc3ccccn23)Cc2ccccc2)CC1 ZINC000685467149 550420261 /nfs/dbraw/zinc/42/02/61/550420261.db2.gz JFDBPLSKGQGMJT-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2cnc3ccccn23)Cc2ccccc2)CC1 ZINC000685467149 550420263 /nfs/dbraw/zinc/42/02/63/550420263.db2.gz JFDBPLSKGQGMJT-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP Cc1c(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)sc2nc(C)nc(C)c12 ZINC000731041844 575046505 /nfs/dbraw/zinc/04/65/05/575046505.db2.gz ZYOFOTCGYFRSRV-HNNXBMFYSA-N 2 2 330.501 3.190 20 0 EGADLP Cc1c(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)sc2nc(C)nc(C)c12 ZINC000731041844 575046508 /nfs/dbraw/zinc/04/65/08/575046508.db2.gz ZYOFOTCGYFRSRV-HNNXBMFYSA-N 2 2 330.501 3.190 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000732272501 575251953 /nfs/dbraw/zinc/25/19/53/575251953.db2.gz VFRMGDRWJNCWQS-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000732272501 575251955 /nfs/dbraw/zinc/25/19/55/575251955.db2.gz VFRMGDRWJNCWQS-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP O[C@H](C[NH2+][C@@H](c1ccccc1F)C1CCCC1)C[NH+]1CCCCC1 ZINC000678683046 576168568 /nfs/dbraw/zinc/16/85/68/576168568.db2.gz KKQLNSROBMJEFU-YLJYHZDGSA-N 2 2 334.479 3.493 20 0 EGADLP c1ccc([C@@H](C[NH+]2CCCC2)Nc2nc(N3CCCC3)cc[nH+]2)cc1 ZINC000742174976 576755667 /nfs/dbraw/zinc/75/56/67/576755667.db2.gz OLFITZIKJYMFMN-GOSISDBHSA-N 2 2 337.471 3.326 20 0 EGADLP c1ccc([C@H](C[NH+]2CCCC2)Nc2nc(N3CCCC3)cc[nH+]2)cc1 ZINC000742174978 576755824 /nfs/dbraw/zinc/75/58/24/576755824.db2.gz OLFITZIKJYMFMN-SFHVURJKSA-N 2 2 337.471 3.326 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)c1ccccc1Cl ZINC000045858395 1291518692 /nfs/dbraw/zinc/51/86/92/1291518692.db2.gz REAGIDSPVSSZCO-RHSMWYFYSA-N 2 2 348.878 3.297 20 0 EGADLP COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(C[NH+](C)C)c2)c1C ZINC000051234449 1291669811 /nfs/dbraw/zinc/66/98/11/1291669811.db2.gz MHVSERXKSIZJSL-UHFFFAOYSA-N 2 2 342.443 3.090 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000067694028 1292168586 /nfs/dbraw/zinc/16/85/86/1292168586.db2.gz BPGMFHBBQXTKDM-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000067694028 1292168590 /nfs/dbraw/zinc/16/85/90/1292168590.db2.gz BPGMFHBBQXTKDM-ZIAGYGMSSA-N 2 2 326.387 3.013 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)O[C@H](C)CC(C)C)CC2)CC1 ZINC000827751756 1292365579 /nfs/dbraw/zinc/36/55/79/1292365579.db2.gz ARVPSCZXJNEJEH-QGZVFWFLSA-N 2 2 339.524 3.050 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)O[C@H](C)CC(C)C)CC2)CC1 ZINC000827751756 1292365586 /nfs/dbraw/zinc/36/55/86/1292365586.db2.gz ARVPSCZXJNEJEH-QGZVFWFLSA-N 2 2 339.524 3.050 20 0 EGADLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000079000387 1292539577 /nfs/dbraw/zinc/53/95/77/1292539577.db2.gz FCVUQOPOLYBOIT-GOSISDBHSA-N 2 2 331.460 3.495 20 0 EGADLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C(C)(C)C)n1 ZINC000093961463 1292939519 /nfs/dbraw/zinc/93/95/19/1292939519.db2.gz ZXWMXSIBIHISKL-UHFFFAOYSA-N 2 2 341.434 3.332 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000107315975 1293063481 /nfs/dbraw/zinc/06/34/81/1293063481.db2.gz YTDNADDWHHJSQO-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000107315975 1293063493 /nfs/dbraw/zinc/06/34/93/1293063493.db2.gz YTDNADDWHHJSQO-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3F)c2)CCO1 ZINC000107712079 1293071336 /nfs/dbraw/zinc/07/13/36/1293071336.db2.gz CQJDMPPPKOEJGM-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3F)c2)CCO1 ZINC000107712079 1293071340 /nfs/dbraw/zinc/07/13/40/1293071340.db2.gz CQJDMPPPKOEJGM-OAHLLOKOSA-N 2 2 346.421 3.475 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000116334341 1293202457 /nfs/dbraw/zinc/20/24/57/1293202457.db2.gz YPYHYTYSDUSTMF-UHFFFAOYSA-N 2 2 343.862 3.171 20 0 EGADLP Fc1ccc(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000119274076 1293263337 /nfs/dbraw/zinc/26/33/37/1293263337.db2.gz INTSKNMABFXGKR-ZDUSSCGKSA-N 2 2 326.843 3.070 20 0 EGADLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121495084 1293374855 /nfs/dbraw/zinc/37/48/55/1293374855.db2.gz OOVHFUYHCVMOOI-YOEHRIQHSA-N 2 2 327.457 3.349 20 0 EGADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000121495084 1293374862 /nfs/dbraw/zinc/37/48/62/1293374862.db2.gz OOVHFUYHCVMOOI-YOEHRIQHSA-N 2 2 327.457 3.349 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000127059798 1293552573 /nfs/dbraw/zinc/55/25/73/1293552573.db2.gz HPWGGXMJOVIHOA-ZDUSSCGKSA-N 2 2 341.293 3.365 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)ccc2Br)C1 ZINC000127059798 1293552576 /nfs/dbraw/zinc/55/25/76/1293552576.db2.gz HPWGGXMJOVIHOA-ZDUSSCGKSA-N 2 2 341.293 3.365 20 0 EGADLP Cn1c(C[NH2+]CC(C)(C)C[NH+](C)C)nc2cc(C(F)(F)F)ccc21 ZINC000129981210 1293640802 /nfs/dbraw/zinc/64/08/02/1293640802.db2.gz XMRLOWXRYNSYGO-UHFFFAOYSA-N 2 2 342.409 3.270 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000130977683 1293674707 /nfs/dbraw/zinc/67/47/07/1293674707.db2.gz CUKVHDQBYOLYLA-MRXNPFEDSA-N 2 2 341.503 3.348 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000133514819 1293746253 /nfs/dbraw/zinc/74/62/53/1293746253.db2.gz SNROXAYPZUMGQM-KRWDZBQOSA-N 2 2 339.524 3.098 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000133514819 1293746258 /nfs/dbraw/zinc/74/62/58/1293746258.db2.gz SNROXAYPZUMGQM-KRWDZBQOSA-N 2 2 339.524 3.098 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cn2ccc(C(F)(F)F)n2)CC1 ZINC000151804685 1293939455 /nfs/dbraw/zinc/93/94/55/1293939455.db2.gz XLTURUWWBCTHGC-UHFFFAOYSA-N 2 2 332.414 3.303 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2ccc(C(F)(F)F)n2)CC1 ZINC000151804685 1293939461 /nfs/dbraw/zinc/93/94/61/1293939461.db2.gz XLTURUWWBCTHGC-UHFFFAOYSA-N 2 2 332.414 3.303 20 0 EGADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)[NH+](C)C ZINC000223941474 1296133433 /nfs/dbraw/zinc/13/34/33/1296133433.db2.gz YYHNFZVDCLJFMT-GJZGRUSLSA-N 2 2 327.513 3.094 20 0 EGADLP CCOC(=O)N[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)C ZINC000236915764 1296211434 /nfs/dbraw/zinc/21/14/34/1296211434.db2.gz UNDFIZMQSTXUCH-QGZVFWFLSA-N 2 2 344.459 3.123 20 0 EGADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886667 1296594608 /nfs/dbraw/zinc/59/46/08/1296594608.db2.gz QMUYNBNYFRUUJY-FQEVSTJZSA-N 2 2 343.515 3.343 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872055688 1296704794 /nfs/dbraw/zinc/70/47/94/1296704794.db2.gz KVJKQUMZDNEGNU-INIZCTEOSA-N 2 2 347.503 3.207 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000309947552 1297081420 /nfs/dbraw/zinc/08/14/20/1297081420.db2.gz RBCXULNEECXAHD-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000309947552 1297081437 /nfs/dbraw/zinc/08/14/37/1297081437.db2.gz RBCXULNEECXAHD-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP Fc1cccc([C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873204662 1297350998 /nfs/dbraw/zinc/35/09/98/1297350998.db2.gz HWQNSQWITBUULG-QGZVFWFLSA-N 2 2 332.444 3.106 20 0 EGADLP Fc1cccc([C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)CCO2)c1 ZINC000873204662 1297351003 /nfs/dbraw/zinc/35/10/03/1297351003.db2.gz HWQNSQWITBUULG-QGZVFWFLSA-N 2 2 332.444 3.106 20 0 EGADLP COc1cc2c(cc1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)O[C@@H](C)C2 ZINC000378891611 1297526260 /nfs/dbraw/zinc/52/62/60/1297526260.db2.gz RBPSCTPJUPKDPN-LIRRHRJNSA-N 2 2 343.471 3.420 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548710 1297609849 /nfs/dbraw/zinc/60/98/49/1297609849.db2.gz NMGDOFHUBBXSED-DLBZAZTESA-N 2 2 337.305 3.380 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548710 1297609854 /nfs/dbraw/zinc/60/98/54/1297609854.db2.gz NMGDOFHUBBXSED-DLBZAZTESA-N 2 2 337.305 3.380 20 0 EGADLP c1sc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1-c1ccccc1 ZINC000393372919 1297665636 /nfs/dbraw/zinc/66/56/36/1297665636.db2.gz HPNUHKZETFVUGE-ROUUACIJSA-N 2 2 328.481 3.368 20 0 EGADLP c1sc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1-c1ccccc1 ZINC000393372919 1297665651 /nfs/dbraw/zinc/66/56/51/1297665651.db2.gz HPNUHKZETFVUGE-ROUUACIJSA-N 2 2 328.481 3.368 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582528 1298242322 /nfs/dbraw/zinc/24/23/22/1298242322.db2.gz WORKSDDMJAPIHW-HKUYNNGSSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582528 1298242334 /nfs/dbraw/zinc/24/23/34/1298242334.db2.gz WORKSDDMJAPIHW-HKUYNNGSSA-N 2 2 348.494 3.431 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000724030687 1298344733 /nfs/dbraw/zinc/34/47/33/1298344733.db2.gz PIKGVWSCCIXKJR-OAGGEKHMSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000724030687 1298344745 /nfs/dbraw/zinc/34/47/45/1298344745.db2.gz PIKGVWSCCIXKJR-OAGGEKHMSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000724030686 1298345745 /nfs/dbraw/zinc/34/57/45/1298345745.db2.gz PIKGVWSCCIXKJR-BZUAXINKSA-N 2 2 339.524 3.142 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000724030686 1298345756 /nfs/dbraw/zinc/34/57/56/1298345756.db2.gz PIKGVWSCCIXKJR-BZUAXINKSA-N 2 2 339.524 3.142 20 0 EGADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)cc1O ZINC000876957295 1299087756 /nfs/dbraw/zinc/08/77/56/1299087756.db2.gz WZUCSZHOIPMJKH-INIZCTEOSA-N 2 2 337.851 3.455 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc(Cl)c3N)[nH+]c2)C1 ZINC000877117174 1299164594 /nfs/dbraw/zinc/16/45/94/1299164594.db2.gz MENYXILNLBITHK-HNNXBMFYSA-N 2 2 345.878 3.070 20 0 EGADLP Clc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nn1 ZINC000877485468 1299336407 /nfs/dbraw/zinc/33/64/07/1299336407.db2.gz VEHYWXDMCBFUQW-UHFFFAOYSA-N 2 2 331.851 3.042 20 0 EGADLP Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750404316 1299391916 /nfs/dbraw/zinc/39/19/16/1299391916.db2.gz RNTOBKFFWWZAHI-AWEZNQCLSA-N 2 2 347.507 3.088 20 0 EGADLP Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c(N(C)C)[nH+]1 ZINC000750404316 1299391926 /nfs/dbraw/zinc/39/19/26/1299391926.db2.gz RNTOBKFFWWZAHI-AWEZNQCLSA-N 2 2 347.507 3.088 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757642353 1300701823 /nfs/dbraw/zinc/70/18/23/1300701823.db2.gz LMUXCLQXVLQIRO-QAPCUYQASA-N 2 2 348.450 3.390 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757642353 1300701830 /nfs/dbraw/zinc/70/18/30/1300701830.db2.gz LMUXCLQXVLQIRO-QAPCUYQASA-N 2 2 348.450 3.390 20 0 EGADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137989 1300943198 /nfs/dbraw/zinc/94/31/98/1300943198.db2.gz OAQLRYZANABAAB-JKSUJKDBSA-N 2 2 328.378 3.296 20 0 EGADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137989 1300943203 /nfs/dbraw/zinc/94/32/03/1300943203.db2.gz OAQLRYZANABAAB-JKSUJKDBSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137989 1300943208 /nfs/dbraw/zinc/94/32/08/1300943208.db2.gz OAQLRYZANABAAB-JKSUJKDBSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000880137989 1300943211 /nfs/dbraw/zinc/94/32/11/1300943211.db2.gz OAQLRYZANABAAB-JKSUJKDBSA-N 2 2 328.378 3.296 20 0 EGADLP COc1ncc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c2ccccc21 ZINC000880476449 1301138465 /nfs/dbraw/zinc/13/84/65/1301138465.db2.gz WZLHASXNKUIBOA-UHFFFAOYSA-N 2 2 325.456 3.304 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568070 1301164472 /nfs/dbraw/zinc/16/44/72/1301164472.db2.gz SMTKESIVNMDIID-ZHALLVOQSA-N 2 2 340.471 3.004 20 0 EGADLP COC[C@H](CC(C)C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766191758 1302407344 /nfs/dbraw/zinc/40/73/44/1302407344.db2.gz PDNXTTQLCOFZRB-SFHVURJKSA-N 2 2 333.520 3.372 20 0 EGADLP C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000884324085 1302811766 /nfs/dbraw/zinc/81/17/66/1302811766.db2.gz HRECRPUNLSCTDU-SFHVURJKSA-N 2 2 338.455 3.174 20 0 EGADLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000768109641 1302826813 /nfs/dbraw/zinc/82/68/13/1302826813.db2.gz WVWDMQFXBRFKCK-HKUYNNGSSA-N 2 2 334.529 3.490 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886663162 1303544568 /nfs/dbraw/zinc/54/45/68/1303544568.db2.gz UIZBGQYXRWZOQM-SFHVURJKSA-N 2 2 341.455 3.429 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@H](C)c3cccs3)CC2)[nH+]c1C ZINC000886671918 1303551517 /nfs/dbraw/zinc/55/15/17/1303551517.db2.gz GFPYVMZBHBHVSP-CQSZACIVSA-N 2 2 346.500 3.145 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cc1 ZINC000773066026 1303618048 /nfs/dbraw/zinc/61/80/48/1303618048.db2.gz SHKUGYFQNQSBQK-LJQANCHMSA-N 2 2 339.487 3.112 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000886872645 1303621049 /nfs/dbraw/zinc/62/10/49/1303621049.db2.gz XTZYCVDDIDGOIC-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP Fc1ccccc1-c1cnc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000886872645 1303621053 /nfs/dbraw/zinc/62/10/53/1303621053.db2.gz XTZYCVDDIDGOIC-IBGZPJMESA-N 2 2 329.419 3.446 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCCN(c3nc(N4CCCC4)cc[nH+]3)C2)CC1 ZINC000774523040 1303820897 /nfs/dbraw/zinc/82/08/97/1303820897.db2.gz DCIXIOGDDUEXLP-SFHVURJKSA-N 2 2 343.519 3.025 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000774942745 1303881546 /nfs/dbraw/zinc/88/15/46/1303881546.db2.gz UHYOMUDDZVLLQN-SFHVURJKSA-N 2 2 347.503 3.328 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(F)(F)F ZINC000777007097 1304231849 /nfs/dbraw/zinc/23/18/49/1304231849.db2.gz KXXLIGQWYHXPMS-NUEKZKHPSA-N 2 2 330.394 3.206 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(F)(F)F ZINC000777007097 1304231853 /nfs/dbraw/zinc/23/18/53/1304231853.db2.gz KXXLIGQWYHXPMS-NUEKZKHPSA-N 2 2 330.394 3.206 20 0 EGADLP Cn1nc(-c2ccccc2)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000778188627 1304412845 /nfs/dbraw/zinc/41/28/45/1304412845.db2.gz VWRYQQPRALZJLA-CQSZACIVSA-N 2 2 341.846 3.042 20 0 EGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)cc1)[C@H]1CCCOC1 ZINC000780737610 1304732130 /nfs/dbraw/zinc/73/21/30/1304732130.db2.gz ALZMCZCYNWCOAU-IRXDYDNUSA-N 2 2 331.504 3.444 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC000780744199 1304733070 /nfs/dbraw/zinc/73/30/70/1304733070.db2.gz VAPDYDKOYKMQER-HXUWFJFHSA-N 2 2 331.504 3.270 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000782096785 1304915769 /nfs/dbraw/zinc/91/57/69/1304915769.db2.gz VIAXIAFGXCSMFM-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000782096785 1304915773 /nfs/dbraw/zinc/91/57/73/1304915773.db2.gz VIAXIAFGXCSMFM-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000782096785 1304915777 /nfs/dbraw/zinc/91/57/77/1304915777.db2.gz VIAXIAFGXCSMFM-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000782096785 1304915783 /nfs/dbraw/zinc/91/57/83/1304915783.db2.gz VIAXIAFGXCSMFM-IRXDYDNUSA-N 2 2 339.524 3.192 20 0 EGADLP O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943567 1305026216 /nfs/dbraw/zinc/02/62/16/1305026216.db2.gz VIGNMNHZAVRHMY-OALUTQOASA-N 2 2 344.503 3.124 20 0 EGADLP CCOCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000782952946 1305028633 /nfs/dbraw/zinc/02/86/33/1305028633.db2.gz PSWQSIOXYSFBOQ-GOSISDBHSA-N 2 2 331.460 3.460 20 0 EGADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000783032458 1305039277 /nfs/dbraw/zinc/03/92/77/1305039277.db2.gz ZYAKVCGJLJHIGF-LJQANCHMSA-N 2 2 331.435 3.248 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C(C)C ZINC000786911521 1305654276 /nfs/dbraw/zinc/65/42/76/1305654276.db2.gz OSCPERGHXNYTQI-CRAIPNDOSA-N 2 2 334.508 3.066 20 0 EGADLP CC1(C)C(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1(C)C ZINC000788382189 1305932923 /nfs/dbraw/zinc/93/29/23/1305932923.db2.gz JPDQGZGYYLHFBE-UHFFFAOYSA-N 2 2 344.503 3.003 20 0 EGADLP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000788754224 1306009595 /nfs/dbraw/zinc/00/95/95/1306009595.db2.gz AFQZBXPSQSVBHT-HOTGVXAUSA-N 2 2 339.524 3.096 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000894146470 1306245023 /nfs/dbraw/zinc/24/50/23/1306245023.db2.gz WQBGPVWRXKQPBZ-UHFFFAOYSA-N 2 2 340.427 3.029 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC[C@@H]3CCc4ccccc43)[nH+]c2)C1 ZINC000790054981 1306255431 /nfs/dbraw/zinc/25/54/31/1306255431.db2.gz NPFJVBKISODPBM-PKOBYXMFSA-N 2 2 336.483 3.364 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000790680284 1308852411 /nfs/dbraw/zinc/85/24/11/1308852411.db2.gz QGBHYBHTDMDHRT-UONOGXRCSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000790680284 1308852422 /nfs/dbraw/zinc/85/24/22/1308852422.db2.gz QGBHYBHTDMDHRT-UONOGXRCSA-N 2 2 325.294 3.454 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cnc1F ZINC000896052337 1309675696 /nfs/dbraw/zinc/67/56/96/1309675696.db2.gz UFOMWPQFHKGFEN-VQTJNVASSA-N 2 2 339.458 3.483 20 0 EGADLP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cnc1F ZINC000896052337 1309675698 /nfs/dbraw/zinc/67/56/98/1309675698.db2.gz UFOMWPQFHKGFEN-VQTJNVASSA-N 2 2 339.458 3.483 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cnc1F ZINC000896052337 1309675701 /nfs/dbraw/zinc/67/57/01/1309675701.db2.gz UFOMWPQFHKGFEN-VQTJNVASSA-N 2 2 339.458 3.483 20 0 EGADLP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cnc1F ZINC000896052337 1309675702 /nfs/dbraw/zinc/67/57/02/1309675702.db2.gz UFOMWPQFHKGFEN-VQTJNVASSA-N 2 2 339.458 3.483 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000796284622 1309952701 /nfs/dbraw/zinc/95/27/01/1309952701.db2.gz XWRGHYPTHNXZAH-HNNXBMFYSA-N 2 2 347.894 3.049 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000796284622 1309952707 /nfs/dbraw/zinc/95/27/07/1309952707.db2.gz XWRGHYPTHNXZAH-HNNXBMFYSA-N 2 2 347.894 3.049 20 0 EGADLP CO[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1Cl ZINC000796319320 1309965431 /nfs/dbraw/zinc/96/54/31/1309965431.db2.gz IKDMJKBRUKISSX-OAHLLOKOSA-N 2 2 339.892 3.335 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)c(C)c1OC ZINC000796703109 1310067387 /nfs/dbraw/zinc/06/73/87/1310067387.db2.gz ROODUZLSOGAXMF-HOTGVXAUSA-N 2 2 334.504 3.407 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000799175464 1310498122 /nfs/dbraw/zinc/49/81/22/1310498122.db2.gz ZKMYDBCIVRJMSB-MRXNPFEDSA-N 2 2 331.287 3.445 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000799175464 1310498127 /nfs/dbraw/zinc/49/81/27/1310498127.db2.gz ZKMYDBCIVRJMSB-MRXNPFEDSA-N 2 2 331.287 3.445 20 0 EGADLP CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019040039 1317017178 /nfs/dbraw/zinc/01/71/78/1317017178.db2.gz FYYFOVXPKBOKPG-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000957411474 1317342273 /nfs/dbraw/zinc/34/22/73/1317342273.db2.gz FSACHUIAFCOKID-MOPGFXCFSA-N 2 2 349.494 3.007 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc4n[nH]cc43)CC2)cc1 ZINC000858147166 1328696227 /nfs/dbraw/zinc/69/62/27/1328696227.db2.gz YAJUGCMGCIUAAJ-UHFFFAOYSA-N 2 2 349.482 3.388 20 0 EGADLP O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000805829000 1317429543 /nfs/dbraw/zinc/42/95/43/1317429543.db2.gz FHWUWLVUEAZWOG-SFHVURJKSA-N 2 2 348.491 3.187 20 0 EGADLP O=C(NC1CCCCC1)OC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000805829000 1317429549 /nfs/dbraw/zinc/42/95/49/1317429549.db2.gz FHWUWLVUEAZWOG-SFHVURJKSA-N 2 2 348.491 3.187 20 0 EGADLP CCC[N@H+](CN1C[C@H](C)CC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902641102 1317601434 /nfs/dbraw/zinc/60/14/34/1317601434.db2.gz WNWHQAUYBRMEDO-GOSISDBHSA-N 2 2 343.515 3.189 20 0 EGADLP CCC[N@@H+](CN1C[C@H](C)CC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902641102 1317601441 /nfs/dbraw/zinc/60/14/41/1317601441.db2.gz WNWHQAUYBRMEDO-GOSISDBHSA-N 2 2 343.515 3.189 20 0 EGADLP CC[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000957760095 1317626507 /nfs/dbraw/zinc/62/65/07/1317626507.db2.gz OJWAQIJQNOQZJN-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP CC[N@H+](CC1=CCCCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000957760095 1317626514 /nfs/dbraw/zinc/62/65/14/1317626514.db2.gz OJWAQIJQNOQZJN-UHFFFAOYSA-N 2 2 344.503 3.013 20 0 EGADLP O=C(N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001020296545 1317632049 /nfs/dbraw/zinc/63/20/49/1317632049.db2.gz VMJKZXGILNILMW-QAQDUYKDSA-N 2 2 340.471 3.384 20 0 EGADLP CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296586 1317632421 /nfs/dbraw/zinc/63/24/21/1317632421.db2.gz WUTVFJFNCRXUSC-IYARVYRRSA-N 2 2 348.450 3.176 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000903880384 1317740390 /nfs/dbraw/zinc/74/03/90/1317740390.db2.gz QZUAMOIQMJZBRU-LBPRGKRZSA-N 2 2 333.220 3.396 20 0 EGADLP [NH3+][C@@H](CC(F)F)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000903880384 1317740395 /nfs/dbraw/zinc/74/03/95/1317740395.db2.gz QZUAMOIQMJZBRU-LBPRGKRZSA-N 2 2 333.220 3.396 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000903898064 1317744837 /nfs/dbraw/zinc/74/48/37/1317744837.db2.gz HWFUKLATGARPNN-CVEARBPZSA-N 2 2 340.439 3.266 20 0 EGADLP [NH3+][C@H](CC(F)F)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000903898064 1317744844 /nfs/dbraw/zinc/74/48/44/1317744844.db2.gz HWFUKLATGARPNN-CVEARBPZSA-N 2 2 340.439 3.266 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001020637508 1317820602 /nfs/dbraw/zinc/82/06/02/1317820602.db2.gz WAXYDLCWYWVEDE-WBAXXEDZSA-N 2 2 340.471 3.074 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000904305304 1317827242 /nfs/dbraw/zinc/82/72/42/1317827242.db2.gz KIRSIWLHXLBKIM-KRWDZBQOSA-N 2 2 331.504 3.491 20 0 EGADLP CC[C@H](C)C[C@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904558746 1317862356 /nfs/dbraw/zinc/86/23/56/1317862356.db2.gz VMSIEXHDUWBXRG-BBRMVZONSA-N 2 2 325.416 3.417 20 0 EGADLP [NH3+]Cc1ccccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000904649201 1317875355 /nfs/dbraw/zinc/87/53/55/1317875355.db2.gz PXFDJHHOFVOHHA-UHFFFAOYSA-N 2 2 341.459 3.066 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1 ZINC000905097035 1317923218 /nfs/dbraw/zinc/92/32/18/1317923218.db2.gz KULRKWHHCCEUHW-IEBWSBKVSA-N 2 2 348.531 3.152 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000809994635 1317932264 /nfs/dbraw/zinc/93/22/64/1317932264.db2.gz BMYOCSPQSJHWSA-GOSISDBHSA-N 2 2 348.393 3.245 20 0 EGADLP Cc1cc(C(F)(F)F)nn1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000811745714 1318250638 /nfs/dbraw/zinc/25/06/38/1318250638.db2.gz DRHIGGIHJPOUBL-UHFFFAOYSA-N 2 2 332.414 3.220 20 0 EGADLP Cc1cc(C(F)(F)F)nn1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000811745714 1318250647 /nfs/dbraw/zinc/25/06/47/1318250647.db2.gz DRHIGGIHJPOUBL-UHFFFAOYSA-N 2 2 332.414 3.220 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1)c1ccccc1 ZINC000960027509 1318319192 /nfs/dbraw/zinc/31/91/92/1318319192.db2.gz FYTOMVVWTUVFOE-APWZRJJASA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1)c1ccccc1 ZINC000960027509 1318319200 /nfs/dbraw/zinc/31/92/00/1318319200.db2.gz FYTOMVVWTUVFOE-APWZRJJASA-N 2 2 340.471 3.074 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960206656 1318411945 /nfs/dbraw/zinc/41/19/45/1318411945.db2.gz KQDBQCFWJDPYHA-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603572 1318447367 /nfs/dbraw/zinc/44/73/67/1318447367.db2.gz QOHOKOOKDJJPFN-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603572 1318447372 /nfs/dbraw/zinc/44/73/72/1318447372.db2.gz QOHOKOOKDJJPFN-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603572 1318447375 /nfs/dbraw/zinc/44/73/75/1318447375.db2.gz QOHOKOOKDJJPFN-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603572 1318447380 /nfs/dbraw/zinc/44/73/80/1318447380.db2.gz QOHOKOOKDJJPFN-SJLPKXTDSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603060 1318447412 /nfs/dbraw/zinc/44/74/12/1318447412.db2.gz LUECTNDBGDAADR-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001021603060 1318447419 /nfs/dbraw/zinc/44/74/19/1318447419.db2.gz LUECTNDBGDAADR-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603060 1318447424 /nfs/dbraw/zinc/44/74/24/1318447424.db2.gz LUECTNDBGDAADR-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001021603060 1318447430 /nfs/dbraw/zinc/44/74/30/1318447430.db2.gz LUECTNDBGDAADR-HKUYNNGSSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815128286 1318904121 /nfs/dbraw/zinc/90/41/21/1318904121.db2.gz UYIAXVBWCALVQK-UKRRQHHQSA-N 2 2 337.305 3.380 20 0 EGADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000815128286 1318904132 /nfs/dbraw/zinc/90/41/32/1318904132.db2.gz UYIAXVBWCALVQK-UKRRQHHQSA-N 2 2 337.305 3.380 20 0 EGADLP CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187528 1319303000 /nfs/dbraw/zinc/30/30/00/1319303000.db2.gz LOXQWZZLRKDAIR-CVEARBPZSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC000961187528 1319303011 /nfs/dbraw/zinc/30/30/11/1319303011.db2.gz LOXQWZZLRKDAIR-CVEARBPZSA-N 2 2 340.471 3.147 20 0 EGADLP COc1cc(OCC[NH+](C)C)ccc1NCc1c[nH+]cn1C(C)C ZINC000818217224 1319520220 /nfs/dbraw/zinc/52/02/20/1319520220.db2.gz RIPGJQVMMOUYJQ-UHFFFAOYSA-N 2 2 332.448 3.025 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961365421 1319520654 /nfs/dbraw/zinc/52/06/54/1319520654.db2.gz CWLQRWKYVCETMZ-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000961365421 1319520661 /nfs/dbraw/zinc/52/06/61/1319520661.db2.gz CWLQRWKYVCETMZ-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961365421 1319520665 /nfs/dbraw/zinc/52/06/65/1319520665.db2.gz CWLQRWKYVCETMZ-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000961365421 1319520675 /nfs/dbraw/zinc/52/06/75/1319520675.db2.gz CWLQRWKYVCETMZ-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819078649 1319629470 /nfs/dbraw/zinc/62/94/70/1319629470.db2.gz KIRCKPLUOUNKED-HOTGVXAUSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000823966682 1320218962 /nfs/dbraw/zinc/21/89/62/1320218962.db2.gz ZOUPRWKTIQBTSM-VQIMIIECSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C3CC3)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000823966682 1320218969 /nfs/dbraw/zinc/21/89/69/1320218969.db2.gz ZOUPRWKTIQBTSM-VQIMIIECSA-N 2 2 338.499 3.440 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2cc1Cl ZINC000827497395 1320456891 /nfs/dbraw/zinc/45/68/91/1320456891.db2.gz WIVFWJXHOVBYFZ-VXGBXAGGSA-N 2 2 335.810 3.302 20 0 EGADLP Fc1cc2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2cc1Cl ZINC000827497395 1320456892 /nfs/dbraw/zinc/45/68/92/1320456892.db2.gz WIVFWJXHOVBYFZ-VXGBXAGGSA-N 2 2 335.810 3.302 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000827519653 1320458320 /nfs/dbraw/zinc/45/83/20/1320458320.db2.gz QMUAPDFXIUQZBZ-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000827519653 1320458323 /nfs/dbraw/zinc/45/83/23/1320458323.db2.gz QMUAPDFXIUQZBZ-IKGGRYGDSA-N 2 2 339.524 3.096 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC(=O)CC ZINC000840917312 1321177748 /nfs/dbraw/zinc/17/77/48/1321177748.db2.gz REQAMLQZJQCJMD-QGZVFWFLSA-N 2 2 348.487 3.174 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OC(=O)CC ZINC000840917312 1321177750 /nfs/dbraw/zinc/17/77/50/1321177750.db2.gz REQAMLQZJQCJMD-QGZVFWFLSA-N 2 2 348.487 3.174 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)ccc1OC(=O)CC ZINC000840917312 1321177752 /nfs/dbraw/zinc/17/77/52/1321177752.db2.gz REQAMLQZJQCJMD-QGZVFWFLSA-N 2 2 348.487 3.174 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)ccc1OC(=O)CC ZINC000840917312 1321177755 /nfs/dbraw/zinc/17/77/55/1321177755.db2.gz REQAMLQZJQCJMD-QGZVFWFLSA-N 2 2 348.487 3.174 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000841039542 1321206743 /nfs/dbraw/zinc/20/67/43/1321206743.db2.gz SYSGJEPJOMMCRK-OAQYLSRUSA-N 3 2 344.547 3.219 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673270 1321416832 /nfs/dbraw/zinc/41/68/32/1321416832.db2.gz LCLCCHZGPGOJDY-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842673270 1321416834 /nfs/dbraw/zinc/41/68/34/1321416834.db2.gz LCLCCHZGPGOJDY-LLVKDONJSA-N 2 2 346.700 3.319 20 0 EGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)C1CCCCC1 ZINC000842476132 1321394012 /nfs/dbraw/zinc/39/40/12/1321394012.db2.gz HOBXUTYJMSTRBP-LJQANCHMSA-N 2 2 325.456 3.276 20 0 EGADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842687617 1321419363 /nfs/dbraw/zinc/41/93/63/1321419363.db2.gz SMOJCDVWNDTGNF-CHWSQXEVSA-N 2 2 346.700 3.460 20 0 EGADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842687618 1321419484 /nfs/dbraw/zinc/41/94/84/1321419484.db2.gz SMOJCDVWNDTGNF-OLZOCXBDSA-N 2 2 346.700 3.460 20 0 EGADLP C[C@@H](CC(=O)OC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845475945 1321710659 /nfs/dbraw/zinc/71/06/59/1321710659.db2.gz DIQJWGXVQADWGU-FXAWDEMLSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@@H](CC(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000845475945 1321710662 /nfs/dbraw/zinc/71/06/62/1321710662.db2.gz DIQJWGXVQADWGU-FXAWDEMLSA-N 2 2 341.455 3.432 20 0 EGADLP C[C@H](CC(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583123 1321720334 /nfs/dbraw/zinc/72/03/34/1321720334.db2.gz SDMCAUUIOJVVTG-ZHALLVOQSA-N 2 2 341.455 3.431 20 0 EGADLP C[C@H](CC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C)n1cc[nH+]c1 ZINC000845583123 1321720338 /nfs/dbraw/zinc/72/03/38/1321720338.db2.gz SDMCAUUIOJVVTG-ZHALLVOQSA-N 2 2 341.455 3.431 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846224992 1321777358 /nfs/dbraw/zinc/77/73/58/1321777358.db2.gz HTBJXTYYAGZJTJ-KNBMTAEXSA-N 2 2 329.488 3.199 20 0 EGADLP CC[C@H](C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000846224992 1321777361 /nfs/dbraw/zinc/77/73/61/1321777361.db2.gz HTBJXTYYAGZJTJ-KNBMTAEXSA-N 2 2 329.488 3.199 20 0 EGADLP FC(F)(F)Sc1cccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000846877242 1321819529 /nfs/dbraw/zinc/81/95/29/1321819529.db2.gz IPQKFWYMJOIYSH-UHFFFAOYSA-N 2 2 342.390 3.344 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000848568419 1321977914 /nfs/dbraw/zinc/97/79/14/1321977914.db2.gz HZDMLVUKNHKQLX-JWFWCLOMSA-N 2 2 328.500 3.423 20 0 EGADLP OC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000848568419 1321977917 /nfs/dbraw/zinc/97/79/17/1321977917.db2.gz HZDMLVUKNHKQLX-JWFWCLOMSA-N 2 2 328.500 3.423 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000849067497 1322065527 /nfs/dbraw/zinc/06/55/27/1322065527.db2.gz JGHPHVZRKNDXES-OAHLLOKOSA-N 2 2 336.549 3.435 20 0 EGADLP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000849067497 1322065529 /nfs/dbraw/zinc/06/55/29/1322065529.db2.gz JGHPHVZRKNDXES-OAHLLOKOSA-N 2 2 336.549 3.435 20 0 EGADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)Nc1ccccc1Cl ZINC000923510986 1322766309 /nfs/dbraw/zinc/76/63/09/1322766309.db2.gz YWGJKNZTHRSLNH-OAHLLOKOSA-N 2 2 349.906 3.380 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cc(CO)on1 ZINC000924586769 1323064474 /nfs/dbraw/zinc/06/44/74/1323064474.db2.gz LMMQLXMOQZGAIM-HNNXBMFYSA-N 2 2 329.444 3.004 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000924714100 1323128321 /nfs/dbraw/zinc/12/83/21/1323128321.db2.gz HXFSKGZBUTYMKH-LEWJYISDSA-N 2 2 345.506 3.397 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000924714100 1323128324 /nfs/dbraw/zinc/12/83/24/1323128324.db2.gz HXFSKGZBUTYMKH-LEWJYISDSA-N 2 2 345.506 3.397 20 0 EGADLP Fc1cccc(OCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000852115194 1323150221 /nfs/dbraw/zinc/15/02/21/1323150221.db2.gz MXGCRUVAVJUNDG-UHFFFAOYSA-N 2 2 328.431 3.459 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000924881611 1323198491 /nfs/dbraw/zinc/19/84/91/1323198491.db2.gz HKOCCQFNZBVHQQ-QRVBRYPASA-N 2 2 343.515 3.128 20 0 EGADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000924881611 1323198495 /nfs/dbraw/zinc/19/84/95/1323198495.db2.gz HKOCCQFNZBVHQQ-QRVBRYPASA-N 2 2 343.515 3.128 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001024252073 1323236141 /nfs/dbraw/zinc/23/61/41/1323236141.db2.gz IZBQDBBKAKNBOG-GOSISDBHSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ncnn21 ZINC000925048314 1323256945 /nfs/dbraw/zinc/25/69/45/1323256945.db2.gz CCKPZAWXSQLTQJ-VQIMIIECSA-N 2 2 339.487 3.450 20 0 EGADLP CC1CC(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024510573 1323460342 /nfs/dbraw/zinc/46/03/42/1323460342.db2.gz QVUIGOTXRMBURK-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1CC(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024510573 1323460344 /nfs/dbraw/zinc/46/03/44/1323460344.db2.gz QVUIGOTXRMBURK-VMBOVVBDSA-N 2 2 340.471 3.193 20 0 EGADLP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024646647 1323571505 /nfs/dbraw/zinc/57/15/05/1323571505.db2.gz GMCPNPBXCIKTOK-IAGOWNOFSA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001024646647 1323571512 /nfs/dbraw/zinc/57/15/12/1323571512.db2.gz GMCPNPBXCIKTOK-IAGOWNOFSA-N 2 2 346.519 3.237 20 0 EGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440460 1329117859 /nfs/dbraw/zinc/11/78/59/1329117859.db2.gz HZPAGRIPHXLDOV-HZSPNIEDSA-N 2 2 334.414 3.376 20 0 EGADLP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440460 1329117862 /nfs/dbraw/zinc/11/78/62/1329117862.db2.gz HZPAGRIPHXLDOV-HZSPNIEDSA-N 2 2 334.414 3.376 20 0 EGADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440460 1329117866 /nfs/dbraw/zinc/11/78/66/1329117866.db2.gz HZPAGRIPHXLDOV-HZSPNIEDSA-N 2 2 334.414 3.376 20 0 EGADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440460 1329117871 /nfs/dbraw/zinc/11/78/71/1329117871.db2.gz HZPAGRIPHXLDOV-HZSPNIEDSA-N 2 2 334.414 3.376 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025108978 1323899827 /nfs/dbraw/zinc/89/98/27/1323899827.db2.gz HNPDJVJTIMCPCI-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001025108978 1323899837 /nfs/dbraw/zinc/89/98/37/1323899837.db2.gz HNPDJVJTIMCPCI-QFBILLFUSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001026598581 1324923587 /nfs/dbraw/zinc/92/35/87/1324923587.db2.gz NXAIANRQFFGCQE-UHFFFAOYSA-N 2 2 346.519 3.248 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001026919310 1325083379 /nfs/dbraw/zinc/08/33/79/1325083379.db2.gz GSFVNGXSSZYNAE-HOTGVXAUSA-N 2 2 348.450 3.376 20 0 EGADLP Fc1ccc(C[NH+]2CCC(N[C@H]3CC[NH2+]C34CCCC4)CC2)cc1F ZINC000925474886 1325166470 /nfs/dbraw/zinc/16/64/70/1325166470.db2.gz SERHPQJXEZFRNX-IBGZPJMESA-N 2 2 349.469 3.194 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1F ZINC000925567855 1325214274 /nfs/dbraw/zinc/21/42/74/1325214274.db2.gz LTYBFGPLCAUCEV-AYOQOUSVSA-N 3 2 342.462 3.186 20 0 EGADLP O[C@@H](c1ccccc1)[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925671661 1325257481 /nfs/dbraw/zinc/25/74/81/1325257481.db2.gz DZRZXHSPJXTTKQ-FEWKRZFKSA-N 2 2 334.463 3.047 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000925769175 1325292274 /nfs/dbraw/zinc/29/22/74/1325292274.db2.gz BHTBJCNXCPZGLR-OXJNMPFZSA-N 3 2 335.455 3.137 20 0 EGADLP CC(C)[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(F)c(F)c1 ZINC000925790786 1325302259 /nfs/dbraw/zinc/30/22/59/1325302259.db2.gz IWYFWHMOIDMIBU-MAUKXSAKSA-N 2 2 338.442 3.410 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000925793274 1325304424 /nfs/dbraw/zinc/30/44/24/1325304424.db2.gz HYMPPXSNWQEMNM-WMZOPIPTSA-N 2 2 332.488 3.283 20 0 EGADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925797075 1325305505 /nfs/dbraw/zinc/30/55/05/1325305505.db2.gz NXNAIDYCQCHKOC-ZFWWWQNUSA-N 2 2 337.533 3.384 20 0 EGADLP CN(C(=O)Cn1cc[nH+]c1)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000964463237 1325537174 /nfs/dbraw/zinc/53/71/74/1325537174.db2.gz ISWKCIJYRAVLCS-UHFFFAOYSA-N 2 2 344.503 3.133 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447957 1327691273 /nfs/dbraw/zinc/69/12/73/1327691273.db2.gz CMCVKFPVWOTJLC-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447957 1327691284 /nfs/dbraw/zinc/69/12/84/1327691284.db2.gz CMCVKFPVWOTJLC-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447957 1327691292 /nfs/dbraw/zinc/69/12/92/1327691292.db2.gz CMCVKFPVWOTJLC-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027447957 1327691304 /nfs/dbraw/zinc/69/13/04/1327691304.db2.gz CMCVKFPVWOTJLC-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCC3)C2)c[nH+]1 ZINC001027460518 1327704955 /nfs/dbraw/zinc/70/49/55/1327704955.db2.gz KBKBTRFCWHXYNQ-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCC3)C2)c[nH+]1 ZINC001027460518 1327704962 /nfs/dbraw/zinc/70/49/62/1327704962.db2.gz KBKBTRFCWHXYNQ-GOSISDBHSA-N 2 2 346.519 3.040 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598912 1327950684 /nfs/dbraw/zinc/95/06/84/1327950684.db2.gz VSPUARIKIXEJCB-RDJZCZTQSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccsc2)C1)n1cc[nH+]c1 ZINC001027598912 1327950691 /nfs/dbraw/zinc/95/06/91/1327950691.db2.gz VSPUARIKIXEJCB-RDJZCZTQSA-N 2 2 346.500 3.019 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908384 1328467798 /nfs/dbraw/zinc/46/77/98/1328467798.db2.gz PFCSJLBHHMCREQ-QAPCUYQASA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000966908384 1328467806 /nfs/dbraw/zinc/46/78/06/1328467806.db2.gz PFCSJLBHHMCREQ-QAPCUYQASA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C)c[nH+]1 ZINC000966908667 1328468198 /nfs/dbraw/zinc/46/81/98/1328468198.db2.gz UVLIBEUDPADYCL-DOTOQJQBSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C)c[nH+]1 ZINC000966908667 1328468204 /nfs/dbraw/zinc/46/82/04/1328468204.db2.gz UVLIBEUDPADYCL-DOTOQJQBSA-N 2 2 348.535 3.189 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933244906 1329873910 /nfs/dbraw/zinc/87/39/10/1329873910.db2.gz AZTSQMPRCLKMSQ-CZUORRHYSA-N 2 2 330.394 3.203 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933244906 1329873911 /nfs/dbraw/zinc/87/39/11/1329873911.db2.gz AZTSQMPRCLKMSQ-CZUORRHYSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]1C[N@H+](CC2CCCC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184643 1331867653 /nfs/dbraw/zinc/86/76/53/1331867653.db2.gz VUNNYNFHNWZOGF-RHSMWYFYSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184643 1331867655 /nfs/dbraw/zinc/86/76/55/1331867655.db2.gz VUNNYNFHNWZOGF-RHSMWYFYSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886952 1333719353 /nfs/dbraw/zinc/71/93/53/1333719353.db2.gz UOAKXEVRCLLCLD-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886952 1333719355 /nfs/dbraw/zinc/71/93/55/1333719355.db2.gz UOAKXEVRCLLCLD-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306550 1370714656 /nfs/dbraw/zinc/71/46/56/1370714656.db2.gz WZEFUIRBYFSMPY-MNOVXSKESA-N 2 2 330.929 3.424 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2sc(NC(C)(C)C)nc2Cl)C[C@@H]1C[NH3+] ZINC001205306550 1370714660 /nfs/dbraw/zinc/71/46/60/1370714660.db2.gz WZEFUIRBYFSMPY-MNOVXSKESA-N 2 2 330.929 3.424 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205314929 1370719190 /nfs/dbraw/zinc/71/91/90/1370719190.db2.gz DQFKRBKVFMPVQE-RISCZKNCSA-N 2 2 341.293 3.183 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205314929 1370719193 /nfs/dbraw/zinc/71/91/93/1370719193.db2.gz DQFKRBKVFMPVQE-RISCZKNCSA-N 2 2 341.293 3.183 20 0 EGADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001005979932 1336433829 /nfs/dbraw/zinc/43/38/29/1336433829.db2.gz JOVAKAQTBBTNPE-INIZCTEOSA-N 2 2 346.519 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001007594657 1336673043 /nfs/dbraw/zinc/67/30/43/1336673043.db2.gz IJZZUXGVOAPIPN-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001007594657 1336673047 /nfs/dbraw/zinc/67/30/47/1336673047.db2.gz IJZZUXGVOAPIPN-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088657 1336767364 /nfs/dbraw/zinc/76/73/64/1336767364.db2.gz MTYCKNAOBSSCNK-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088657 1336767368 /nfs/dbraw/zinc/76/73/68/1336767368.db2.gz MTYCKNAOBSSCNK-WMZOPIPTSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941599 1337961115 /nfs/dbraw/zinc/96/11/15/1337961115.db2.gz ORJFBNFGMAPRLD-DOTOQJQBSA-N 2 2 348.450 3.437 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014941599 1337961119 /nfs/dbraw/zinc/96/11/19/1337961119.db2.gz ORJFBNFGMAPRLD-DOTOQJQBSA-N 2 2 348.450 3.437 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632864 1340735452 /nfs/dbraw/zinc/73/54/52/1340735452.db2.gz SXURLJFZKAVCSR-HNNXBMFYSA-N 2 2 328.460 3.051 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632864 1340735454 /nfs/dbraw/zinc/73/54/54/1340735454.db2.gz SXURLJFZKAVCSR-HNNXBMFYSA-N 2 2 328.460 3.051 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001029495870 1341000600 /nfs/dbraw/zinc/00/06/00/1341000600.db2.gz VPKJIXUIVATHTE-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)n1cc[nH+]c1 ZINC001029495870 1341000602 /nfs/dbraw/zinc/00/06/02/1341000602.db2.gz VPKJIXUIVATHTE-YTQUADARSA-N 2 2 344.503 3.090 20 0 EGADLP C[N@H+](C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)CC1CCCCCC1 ZINC001029752665 1341063679 /nfs/dbraw/zinc/06/36/79/1341063679.db2.gz NJGGAMNNBIAAKD-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)CC1CCCCCC1 ZINC001029752665 1341063681 /nfs/dbraw/zinc/06/36/81/1341063681.db2.gz NJGGAMNNBIAAKD-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001029752665 1341063683 /nfs/dbraw/zinc/06/36/83/1341063683.db2.gz NJGGAMNNBIAAKD-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)CC1CCCCCC1 ZINC001029752665 1341063685 /nfs/dbraw/zinc/06/36/85/1341063685.db2.gz NJGGAMNNBIAAKD-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)NC1C[NH+](CC2CCCCCC2)C1 ZINC001030389086 1341184307 /nfs/dbraw/zinc/18/43/07/1341184307.db2.gz UYUDEPLLJVKDOK-UHFFFAOYSA-N 2 2 349.544 3.194 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH+]2CC(NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001030785202 1341224466 /nfs/dbraw/zinc/22/44/66/1341224466.db2.gz LDBLKYXALHOWSK-QGZVFWFLSA-N 2 2 343.515 3.039 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033191674 1341748763 /nfs/dbraw/zinc/74/87/63/1341748763.db2.gz JZMUNSNBCLTSDR-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033191674 1341748764 /nfs/dbraw/zinc/74/87/64/1341748764.db2.gz JZMUNSNBCLTSDR-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554093 1341869193 /nfs/dbraw/zinc/86/91/93/1341869193.db2.gz NKLIQCGCUBKKQQ-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554093 1341869195 /nfs/dbraw/zinc/86/91/95/1341869195.db2.gz NKLIQCGCUBKKQQ-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554091 1341869322 /nfs/dbraw/zinc/86/93/22/1341869322.db2.gz NKLIQCGCUBKKQQ-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033554091 1341869323 /nfs/dbraw/zinc/86/93/23/1341869323.db2.gz NKLIQCGCUBKKQQ-LPHOPBHVSA-N 2 2 340.471 3.065 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@H+](CCC4CC4)C3)ccn12 ZINC001034207996 1342318261 /nfs/dbraw/zinc/31/82/61/1342318261.db2.gz UREJDRRKUJHNOG-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@@H+](CCC4CC4)C3)ccn12 ZINC001034207996 1342318263 /nfs/dbraw/zinc/31/82/63/1342318263.db2.gz UREJDRRKUJHNOG-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549649 1342612439 /nfs/dbraw/zinc/61/24/39/1342612439.db2.gz MIEXJPPNTFQFJT-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549649 1342612441 /nfs/dbraw/zinc/61/24/41/1342612441.db2.gz MIEXJPPNTFQFJT-MOPGFXCFSA-N 2 2 340.471 3.005 20 0 EGADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)c1cccc2[nH+]ccn21 ZINC001034689391 1342693176 /nfs/dbraw/zinc/69/31/76/1342693176.db2.gz VOEWFDOAIULMOZ-IYARVYRRSA-N 2 2 348.450 3.165 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073588 1342912903 /nfs/dbraw/zinc/91/29/03/1342912903.db2.gz SOEUCFUJSRTUBZ-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001035073588 1342912905 /nfs/dbraw/zinc/91/29/05/1342912905.db2.gz SOEUCFUJSRTUBZ-VQIMIIECSA-N 2 2 346.519 3.139 20 0 EGADLP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001035104386 1342928689 /nfs/dbraw/zinc/92/86/89/1342928689.db2.gz SQJPGPMTPOHJNU-OFLPRAFFSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036555205 1343551924 /nfs/dbraw/zinc/55/19/24/1343551924.db2.gz RNGDQDCSOLONNC-QFBILLFUSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036555205 1343551927 /nfs/dbraw/zinc/55/19/27/1343551927.db2.gz RNGDQDCSOLONNC-QFBILLFUSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751172 1343674330 /nfs/dbraw/zinc/67/43/30/1343674330.db2.gz YYWARPBZMCHVRS-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001036751172 1343674332 /nfs/dbraw/zinc/67/43/32/1343674332.db2.gz YYWARPBZMCHVRS-DNVCBOLYSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001037244900 1344065043 /nfs/dbraw/zinc/06/50/43/1344065043.db2.gz ARIYFAVYPUFXHB-HKUYNNGSSA-N 2 2 340.471 3.159 20 0 EGADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001037909773 1344172510 /nfs/dbraw/zinc/17/25/10/1344172510.db2.gz ROUDWRRTVJOUBG-RBUKOAKNSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CC1CCCCCC1 ZINC001037941106 1344193695 /nfs/dbraw/zinc/19/36/95/1344193695.db2.gz CXCSKCWVUCXGMC-ROUUACIJSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cs1 ZINC001038783870 1344582409 /nfs/dbraw/zinc/58/24/09/1344582409.db2.gz ZJTVZQPPNJUQRG-QZTJIDSGSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cs1 ZINC001038783870 1344582414 /nfs/dbraw/zinc/58/24/14/1344582414.db2.gz ZJTVZQPPNJUQRG-QZTJIDSGSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783870 1344582421 /nfs/dbraw/zinc/58/24/21/1344582421.db2.gz ZJTVZQPPNJUQRG-QZTJIDSGSA-N 2 2 349.544 3.010 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[NH+]2C(C)C)cs1 ZINC001038783870 1344582427 /nfs/dbraw/zinc/58/24/27/1344582427.db2.gz ZJTVZQPPNJUQRG-QZTJIDSGSA-N 2 2 349.544 3.010 20 0 EGADLP CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214336 1344929898 /nfs/dbraw/zinc/92/98/98/1344929898.db2.gz RYSJDFMXYJWBBX-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001039214336 1344929901 /nfs/dbraw/zinc/92/99/01/1344929901.db2.gz RYSJDFMXYJWBBX-HNAYVOBHSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238369 1344962366 /nfs/dbraw/zinc/96/23/66/1344962366.db2.gz NILRFXXIDBEAQF-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039238369 1344962369 /nfs/dbraw/zinc/96/23/69/1344962369.db2.gz NILRFXXIDBEAQF-WMZOPIPTSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001040927328 1345602744 /nfs/dbraw/zinc/60/27/44/1345602744.db2.gz VSWNHBNADSYLFC-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407829 1345720610 /nfs/dbraw/zinc/72/06/10/1345720610.db2.gz RPAWAOKDGUFVFE-YWZLYKJASA-N 2 2 340.471 3.147 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001041407829 1345720612 /nfs/dbraw/zinc/72/06/12/1345720612.db2.gz RPAWAOKDGUFVFE-YWZLYKJASA-N 2 2 340.471 3.147 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001045014484 1346480564 /nfs/dbraw/zinc/48/05/64/1346480564.db2.gz UROLEHMFNUMBIA-KRWDZBQOSA-N 2 2 346.519 3.139 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045803657 1346702922 /nfs/dbraw/zinc/70/29/22/1346702922.db2.gz BQVRWMDLYKEAPA-SJORKVTESA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045803657 1346702923 /nfs/dbraw/zinc/70/29/23/1346702923.db2.gz BQVRWMDLYKEAPA-SJORKVTESA-N 2 2 338.455 3.042 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513021 1347000735 /nfs/dbraw/zinc/00/07/35/1347000735.db2.gz QBLPZQGUWSVVPX-HXUWFJFHSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001046513021 1347000737 /nfs/dbraw/zinc/00/07/37/1347000737.db2.gz QBLPZQGUWSVVPX-HXUWFJFHSA-N 2 2 338.455 3.033 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001050564341 1348290696 /nfs/dbraw/zinc/29/06/96/1348290696.db2.gz PKLDRYCMKVIRBB-HNNXBMFYSA-N 2 2 340.471 3.147 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052379731 1348536303 /nfs/dbraw/zinc/53/63/03/1348536303.db2.gz QZIYVXYSXGKNDE-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001052379731 1348536304 /nfs/dbraw/zinc/53/63/04/1348536304.db2.gz QZIYVXYSXGKNDE-QGZVFWFLSA-N 2 2 328.460 3.027 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001052489512 1348555366 /nfs/dbraw/zinc/55/53/66/1348555366.db2.gz PEZLJDOBKCBXJI-KRWDZBQOSA-N 2 2 347.503 3.040 20 0 EGADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001052489512 1348555367 /nfs/dbraw/zinc/55/53/67/1348555367.db2.gz PEZLJDOBKCBXJI-KRWDZBQOSA-N 2 2 347.503 3.040 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCCC2)CC1 ZINC001052898372 1348733286 /nfs/dbraw/zinc/73/32/86/1348733286.db2.gz YPQBCSSTYNTRQV-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001052898372 1348733291 /nfs/dbraw/zinc/73/32/91/1348733291.db2.gz YPQBCSSTYNTRQV-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052970605 1348780830 /nfs/dbraw/zinc/78/08/30/1348780830.db2.gz RDSBKQWAYYYQRK-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052970605 1348780834 /nfs/dbraw/zinc/78/08/34/1348780834.db2.gz RDSBKQWAYYYQRK-LJQANCHMSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052683 1348857999 /nfs/dbraw/zinc/85/79/99/1348857999.db2.gz WODHQMQJJDUDKH-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001053052683 1348858002 /nfs/dbraw/zinc/85/80/02/1348858002.db2.gz WODHQMQJJDUDKH-SJORKVTESA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096831 1348926661 /nfs/dbraw/zinc/92/66/61/1348926661.db2.gz AFFUZCJIXIEMDN-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096831 1348926665 /nfs/dbraw/zinc/92/66/65/1348926665.db2.gz AFFUZCJIXIEMDN-PKOBYXMFSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096830 1348927000 /nfs/dbraw/zinc/92/70/00/1348927000.db2.gz AFFUZCJIXIEMDN-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001053096830 1348927003 /nfs/dbraw/zinc/92/70/03/1348927003.db2.gz AFFUZCJIXIEMDN-MJGOQNOKSA-N 2 2 344.503 3.012 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154980 1349158359 /nfs/dbraw/zinc/15/83/59/1349158359.db2.gz ZEJRZLONIXADGT-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001054154980 1349158364 /nfs/dbraw/zinc/15/83/64/1349158364.db2.gz ZEJRZLONIXADGT-HXUWFJFHSA-N 2 2 346.519 3.041 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173164 1349174635 /nfs/dbraw/zinc/17/46/35/1349174635.db2.gz JFYDAERGTBPUTO-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001054173164 1349174636 /nfs/dbraw/zinc/17/46/36/1349174636.db2.gz JFYDAERGTBPUTO-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001054922078 1349514451 /nfs/dbraw/zinc/51/44/51/1349514451.db2.gz HXECUTIXHIYAMG-DNVCBOLYSA-N 2 2 337.467 3.257 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCC3)C2)c(C)[nH+]1 ZINC001054922581 1349515066 /nfs/dbraw/zinc/51/50/66/1349515066.db2.gz ONDIHLPTTAJDRD-RDTXWAMCSA-N 2 2 329.488 3.247 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001183065398 1387257555 /nfs/dbraw/zinc/25/75/55/1387257555.db2.gz KQYZHZBZAKJEPO-KSSFIOAISA-N 2 2 336.451 3.165 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(F)c1 ZINC001183065398 1387257558 /nfs/dbraw/zinc/25/75/58/1387257558.db2.gz KQYZHZBZAKJEPO-KSSFIOAISA-N 2 2 336.451 3.165 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607095 1354792255 /nfs/dbraw/zinc/79/22/55/1354792255.db2.gz MWPOPGOWGQLMOR-SJLPKXTDSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607095 1354792258 /nfs/dbraw/zinc/79/22/58/1354792258.db2.gz MWPOPGOWGQLMOR-SJLPKXTDSA-N 2 2 346.519 3.086 20 0 EGADLP CC(C)(C)[C@@]1(C[NH2+]Cc2ncc[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001183179202 1387272995 /nfs/dbraw/zinc/27/29/95/1387272995.db2.gz BACKPKVICKIDGR-HXUWFJFHSA-N 2 2 326.488 3.438 20 0 EGADLP CC(C)(C)[C@@]1(C[NH2+]Cc2ncc[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001183179202 1387272997 /nfs/dbraw/zinc/27/29/97/1387272997.db2.gz BACKPKVICKIDGR-HXUWFJFHSA-N 2 2 326.488 3.438 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074086951 1356075345 /nfs/dbraw/zinc/07/53/45/1356075345.db2.gz PXUMTCCLFAURFK-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074086951 1356075347 /nfs/dbraw/zinc/07/53/47/1356075347.db2.gz PXUMTCCLFAURFK-FUHWJXTLSA-N 2 2 340.471 3.026 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[N@H+](CC2CCCC2)C1 ZINC001099106838 1363626614 /nfs/dbraw/zinc/62/66/14/1363626614.db2.gz QAHZXWLQSANFON-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[N@@H+](CC2CCCC2)C1 ZINC001099106838 1363626616 /nfs/dbraw/zinc/62/66/16/1363626616.db2.gz QAHZXWLQSANFON-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[N@H+](CC2CCCC2)C1 ZINC001099106838 1363626622 /nfs/dbraw/zinc/62/66/22/1363626622.db2.gz QAHZXWLQSANFON-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[N@@H+](CC2CCCC2)C1 ZINC001099106838 1363626625 /nfs/dbraw/zinc/62/66/25/1363626625.db2.gz QAHZXWLQSANFON-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245857 1387316560 /nfs/dbraw/zinc/31/65/60/1387316560.db2.gz HSYPRZJFRHVKLO-CABCVRRESA-N 2 2 349.906 3.076 20 0 EGADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001323245857 1387316562 /nfs/dbraw/zinc/31/65/62/1387316562.db2.gz HSYPRZJFRHVKLO-CABCVRRESA-N 2 2 349.906 3.076 20 0 EGADLP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001183496643 1387313424 /nfs/dbraw/zinc/31/34/24/1387313424.db2.gz OZHVZXMSIGTBGX-WIJVFFIESA-N 2 2 332.492 3.017 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045791 1358375916 /nfs/dbraw/zinc/37/59/16/1358375916.db2.gz LECATKQLEXINGD-QRQLOZEOSA-N 2 2 346.519 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045791 1358375920 /nfs/dbraw/zinc/37/59/20/1358375920.db2.gz LECATKQLEXINGD-QRQLOZEOSA-N 2 2 346.519 3.193 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651866 1358660712 /nfs/dbraw/zinc/66/07/12/1358660712.db2.gz GDXOPONXMLFFIR-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085651866 1358660720 /nfs/dbraw/zinc/66/07/20/1358660720.db2.gz GDXOPONXMLFFIR-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651866 1358660725 /nfs/dbraw/zinc/66/07/25/1358660725.db2.gz GDXOPONXMLFFIR-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085651866 1358660734 /nfs/dbraw/zinc/66/07/34/1358660734.db2.gz GDXOPONXMLFFIR-RCCFBDPRSA-N 2 2 344.503 3.016 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001085672731 1358677098 /nfs/dbraw/zinc/67/70/98/1358677098.db2.gz FNHJTCVCWXNGBN-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001085672731 1358677100 /nfs/dbraw/zinc/67/71/00/1358677100.db2.gz FNHJTCVCWXNGBN-SFHVURJKSA-N 2 2 348.450 3.218 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001086926436 1359251610 /nfs/dbraw/zinc/25/16/10/1359251610.db2.gz YMEWKQCSYYGYHZ-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001086926436 1359251611 /nfs/dbraw/zinc/25/16/11/1359251611.db2.gz YMEWKQCSYYGYHZ-DLBZAZTESA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H]1CC2(CN1C(=O)Cc1[nH]cc[nH+]1)CC[NH+](CCC(C)(C)C)CC2 ZINC001086950734 1359271291 /nfs/dbraw/zinc/27/12/91/1359271291.db2.gz IYGAEEFDSKRHCC-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H](CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)n1cc[nH+]c1 ZINC001088391912 1359868683 /nfs/dbraw/zinc/86/86/83/1359868683.db2.gz XQCTYEPSXKXMMJ-IEBWSBKVSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H]([NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC001088404922 1359877231 /nfs/dbraw/zinc/87/72/31/1359877231.db2.gz KFOGITUFKXFGBW-WMZOPIPTSA-N 2 2 340.471 3.074 20 0 EGADLP CC1CCC(C[NH2+][C@@H]2CCCCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001088434084 1359902884 /nfs/dbraw/zinc/90/28/84/1359902884.db2.gz OTQBGBMMTVOJQK-CTWPCTMYSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001088663583 1360006295 /nfs/dbraw/zinc/00/62/95/1360006295.db2.gz JVMHGKBRIHYZIQ-CJNGLKHVSA-N 2 2 340.471 3.192 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001088663583 1360006297 /nfs/dbraw/zinc/00/62/97/1360006297.db2.gz JVMHGKBRIHYZIQ-CJNGLKHVSA-N 2 2 340.471 3.192 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442762 1360432822 /nfs/dbraw/zinc/43/28/22/1360432822.db2.gz SZARBYBXBTVUKJ-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC(C)(C)C1 ZINC001089442762 1360432826 /nfs/dbraw/zinc/43/28/26/1360432826.db2.gz SZARBYBXBTVUKJ-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486866 1360466935 /nfs/dbraw/zinc/46/69/35/1360466935.db2.gz DJNRLRKNCVVEPW-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486866 1360466937 /nfs/dbraw/zinc/46/69/37/1360466937.db2.gz DJNRLRKNCVVEPW-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001184532845 1387485852 /nfs/dbraw/zinc/48/58/52/1387485852.db2.gz BXVFYYDQBXUGHV-WIJVFFIESA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001184532845 1387485855 /nfs/dbraw/zinc/48/58/55/1387485855.db2.gz BXVFYYDQBXUGHV-WIJVFFIESA-N 2 2 346.519 3.163 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184905076 1387560039 /nfs/dbraw/zinc/56/00/39/1387560039.db2.gz SVBFTDSSKDSCAZ-YSKLNCTFSA-N 2 2 346.519 3.094 20 0 EGADLP CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001096277222 1362453226 /nfs/dbraw/zinc/45/32/26/1362453226.db2.gz ZODJKJRERJESCC-QYZOEREBSA-N 2 2 338.455 3.008 20 0 EGADLP CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001096277222 1362453230 /nfs/dbraw/zinc/45/32/30/1362453230.db2.gz ZODJKJRERJESCC-QYZOEREBSA-N 2 2 338.455 3.008 20 0 EGADLP CC(C)[NH2+][C@@H](C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098820322 1363481597 /nfs/dbraw/zinc/48/15/97/1363481597.db2.gz HZMKINJETCXUIB-LPHOPBHVSA-N 2 2 346.519 3.138 20 0 EGADLP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903598 1363513377 /nfs/dbraw/zinc/51/33/77/1363513377.db2.gz WNVHKMKXZLSYSW-IIMJZQEZSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903598 1363513386 /nfs/dbraw/zinc/51/33/86/1363513386.db2.gz WNVHKMKXZLSYSW-IIMJZQEZSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[N@H+](CC2CCCCC2)C1 ZINC001099360569 1363773190 /nfs/dbraw/zinc/77/31/90/1363773190.db2.gz YQAITTFDRHMDMT-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CC2CCCCC2)C1 ZINC001099360569 1363773194 /nfs/dbraw/zinc/77/31/94/1363773194.db2.gz YQAITTFDRHMDMT-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP O=C(NCC1CC([NH2+]CCCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001100445803 1364117581 /nfs/dbraw/zinc/11/75/81/1364117581.db2.gz FGCJDTNLKRYXSC-UHFFFAOYSA-N 2 2 340.471 3.241 20 0 EGADLP CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001101549458 1364612930 /nfs/dbraw/zinc/61/29/30/1364612930.db2.gz OFOOLHVWQWRQKH-SFHVURJKSA-N 2 2 348.535 3.345 20 0 EGADLP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001101550432 1364613210 /nfs/dbraw/zinc/61/32/10/1364613210.db2.gz IFVQPZPMSNGKJX-UHFFFAOYSA-N 2 2 342.487 3.439 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC(C(C)(C)C[NH2+]CCF)CC2)c(C)[nH+]1 ZINC001101557907 1364618618 /nfs/dbraw/zinc/61/86/18/1364618618.db2.gz LFBOUQHFQFMFOB-UHFFFAOYSA-N 2 2 349.494 3.444 20 0 EGADLP CC(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001101561300 1364619859 /nfs/dbraw/zinc/61/98/59/1364619859.db2.gz BKZOIUKEMQPMKB-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP CCCCCC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001102144088 1364889529 /nfs/dbraw/zinc/88/95/29/1364889529.db2.gz QJBLOHKGIDURBR-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001102144088 1364889532 /nfs/dbraw/zinc/88/95/32/1364889532.db2.gz QJBLOHKGIDURBR-IAGOWNOFSA-N 2 2 342.487 3.212 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001185595764 1387758896 /nfs/dbraw/zinc/75/88/96/1387758896.db2.gz WOWXHQDGSXUBTK-QZTJIDSGSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)[nH+]1 ZINC001324746819 1387759448 /nfs/dbraw/zinc/75/94/48/1387759448.db2.gz ODDSGJNVWNKUMW-OSPHWJPCSA-N 2 2 343.496 3.204 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc([S@](C)=O)cc2)[nH+]1 ZINC001324746819 1387759450 /nfs/dbraw/zinc/75/94/50/1387759450.db2.gz ODDSGJNVWNKUMW-OSPHWJPCSA-N 2 2 343.496 3.204 20 0 EGADLP CCCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001104352135 1365982880 /nfs/dbraw/zinc/98/28/80/1365982880.db2.gz DQCWKNPJZCIPKH-HZPDHXFCSA-N 2 2 342.487 3.441 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC[C@H](C)F)C2)c(C)[nH+]1 ZINC001104436072 1366028133 /nfs/dbraw/zinc/02/81/33/1366028133.db2.gz WOCDSHBEOLWZLT-RVKKMQEKSA-N 2 2 349.494 3.443 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](C)CC(C)C)C1 ZINC001104954700 1366240814 /nfs/dbraw/zinc/24/08/14/1366240814.db2.gz OVPNUVOSAKXEBA-JFIYKMOQSA-N 2 2 348.535 3.017 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001185788611 1387800349 /nfs/dbraw/zinc/80/03/49/1387800349.db2.gz PMNCLTSCDDLLBZ-MJGOQNOKSA-N 2 2 348.535 3.174 20 0 EGADLP CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001105429131 1366463439 /nfs/dbraw/zinc/46/34/39/1366463439.db2.gz OHCSSCQMXPNFQJ-UEDWGHLCSA-N 2 2 348.450 3.003 20 0 EGADLP CC(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001105566491 1366534782 /nfs/dbraw/zinc/53/47/82/1366534782.db2.gz NYAFQUUKLCMWTC-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001105567919 1366535699 /nfs/dbraw/zinc/53/56/99/1366535699.db2.gz AONXBZPZVPTTFM-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001105567919 1366535704 /nfs/dbraw/zinc/53/57/04/1366535704.db2.gz AONXBZPZVPTTFM-SJLPKXTDSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324937433 1387835458 /nfs/dbraw/zinc/83/54/58/1387835458.db2.gz XEDWWKXLOCCWSU-HXUWFJFHSA-N 2 2 342.487 3.275 20 0 EGADLP CCCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324937433 1387835464 /nfs/dbraw/zinc/83/54/64/1387835464.db2.gz XEDWWKXLOCCWSU-HXUWFJFHSA-N 2 2 342.487 3.275 20 0 EGADLP CN(CC[N@H+](C)Cc1ccccc1)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190098402 1367172892 /nfs/dbraw/zinc/17/28/92/1367172892.db2.gz VTZCDEGRJJSDLP-UHFFFAOYSA-N 2 2 348.450 3.076 20 0 EGADLP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190098402 1367172897 /nfs/dbraw/zinc/17/28/97/1367172897.db2.gz VTZCDEGRJJSDLP-UHFFFAOYSA-N 2 2 348.450 3.076 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292722 1367740863 /nfs/dbraw/zinc/74/08/63/1367740863.db2.gz BOZHATOSCCPTSC-HOTGVXAUSA-N 2 2 346.519 3.189 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001192292722 1367740866 /nfs/dbraw/zinc/74/08/66/1367740866.db2.gz BOZHATOSCCPTSC-HOTGVXAUSA-N 2 2 346.519 3.189 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462874 1368036329 /nfs/dbraw/zinc/03/63/29/1368036329.db2.gz QKJPPTKQTHEREF-OAHLLOKOSA-N 2 2 334.508 3.046 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193462874 1368036334 /nfs/dbraw/zinc/03/63/34/1368036334.db2.gz QKJPPTKQTHEREF-OAHLLOKOSA-N 2 2 334.508 3.046 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC001194907552 1368345201 /nfs/dbraw/zinc/34/52/01/1368345201.db2.gz PMPHCNMUSHXSSA-UHFFFAOYSA-N 2 2 348.450 3.079 20 0 EGADLP CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001111789122 1368462571 /nfs/dbraw/zinc/46/25/71/1368462571.db2.gz YFWCLXVLHJHVQE-JXFKEZNVSA-N 2 2 340.471 3.337 20 0 EGADLP CCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001111789122 1368462576 /nfs/dbraw/zinc/46/25/76/1368462576.db2.gz YFWCLXVLHJHVQE-JXFKEZNVSA-N 2 2 340.471 3.337 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[NH+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001112991912 1369126174 /nfs/dbraw/zinc/12/61/74/1369126174.db2.gz YXTXNUAAADQWST-LJQANCHMSA-N 2 2 346.519 3.195 20 0 EGADLP C[C@@H](CN[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC001199296543 1369203996 /nfs/dbraw/zinc/20/39/96/1369203996.db2.gz VHCMLJCPEPDMLB-BNDYYXHWSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@@H](CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC001199296543 1369203999 /nfs/dbraw/zinc/20/39/99/1369203999.db2.gz VHCMLJCPEPDMLB-BNDYYXHWSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC001199296543 1369204002 /nfs/dbraw/zinc/20/40/02/1369204002.db2.gz VHCMLJCPEPDMLB-BNDYYXHWSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC001199296543 1369204008 /nfs/dbraw/zinc/20/40/08/1369204008.db2.gz VHCMLJCPEPDMLB-BNDYYXHWSA-N 2 2 329.532 3.359 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001186612719 1387986455 /nfs/dbraw/zinc/98/64/55/1387986455.db2.gz NWJOUVZVHWKAFG-GOSISDBHSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001186612719 1387986458 /nfs/dbraw/zinc/98/64/58/1387986458.db2.gz NWJOUVZVHWKAFG-GOSISDBHSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001201259907 1369506009 /nfs/dbraw/zinc/50/60/09/1369506009.db2.gz HNVAAPYKFFWOQX-UHFFFAOYSA-N 2 2 328.460 3.193 20 0 EGADLP c1ccc(N2CCOC3(CC[NH+](C[C@H]4CC=CCC4)CC3)C2)[nH+]c1 ZINC001201410640 1369539054 /nfs/dbraw/zinc/53/90/54/1369539054.db2.gz LNKUVAMMQZELEG-SFHVURJKSA-N 2 2 327.472 3.109 20 0 EGADLP CC(C)=CCC[C@H](C)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201486267 1369554708 /nfs/dbraw/zinc/55/47/08/1369554708.db2.gz ICVKQRWPDKRROT-KRWDZBQOSA-N 2 2 342.491 3.111 20 0 EGADLP CC(C)=CCC[C@H](C)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001201486267 1369554715 /nfs/dbraw/zinc/55/47/15/1369554715.db2.gz ICVKQRWPDKRROT-KRWDZBQOSA-N 2 2 342.491 3.111 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520728 1369564887 /nfs/dbraw/zinc/56/48/87/1369564887.db2.gz LZNNCQHEDNRLAN-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@@H](C)C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001201520728 1369564891 /nfs/dbraw/zinc/56/48/91/1369564891.db2.gz LZNNCQHEDNRLAN-HZPDHXFCSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001201851604 1369634603 /nfs/dbraw/zinc/63/46/03/1369634603.db2.gz XXIOXCYRQJUHBK-CYBMUJFWSA-N 2 2 331.370 3.185 20 0 EGADLP CC(C)CC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001201864488 1369636546 /nfs/dbraw/zinc/63/65/46/1369636546.db2.gz OWSGLCYIEITNNM-UHFFFAOYSA-N 2 2 340.471 3.113 20 0 EGADLP CCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C12CCC2 ZINC001203069002 1369971660 /nfs/dbraw/zinc/97/16/60/1369971660.db2.gz JRILUBQUJRKADC-IRXDYDNUSA-N 2 2 346.519 3.134 20 0 EGADLP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C12CCC2 ZINC001203080136 1369976035 /nfs/dbraw/zinc/97/60/35/1369976035.db2.gz SBFVOALVHGRRIB-ZWKOTPCHSA-N 2 2 340.471 3.240 20 0 EGADLP c1n[nH]cc1C[NH+]1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC001203090832 1369978919 /nfs/dbraw/zinc/97/89/19/1369978919.db2.gz RLPNVKPGSSEJKV-UHFFFAOYSA-N 2 2 333.439 3.211 20 0 EGADLP CCc1[nH]c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC001203247099 1370039584 /nfs/dbraw/zinc/03/95/84/1370039584.db2.gz RIBGJLBAMOEQHF-NRFANRHFSA-N 2 2 338.499 3.379 20 0 EGADLP CCc1[nH]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC001203247099 1370039588 /nfs/dbraw/zinc/03/95/88/1370039588.db2.gz RIBGJLBAMOEQHF-NRFANRHFSA-N 2 2 338.499 3.379 20 0 EGADLP Cc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001203700515 1370225336 /nfs/dbraw/zinc/22/53/36/1370225336.db2.gz CHOHONBZMJWOMX-UHFFFAOYSA-N 2 2 340.467 3.455 20 0 EGADLP Cc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001203700515 1370225337 /nfs/dbraw/zinc/22/53/37/1370225337.db2.gz CHOHONBZMJWOMX-UHFFFAOYSA-N 2 2 340.467 3.455 20 0 EGADLP c1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204041245 1370357014 /nfs/dbraw/zinc/35/70/14/1370357014.db2.gz AZNFAGFCKMCFSG-OALUTQOASA-N 2 2 332.451 3.127 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510372 1370509276 /nfs/dbraw/zinc/50/92/76/1370509276.db2.gz SVBKDYAGRRFIGK-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP [NH3+]CC[C@@H]1C[N@H+](Cc2ccccc2Oc2ccc(F)cc2)CCO1 ZINC001204756169 1370567224 /nfs/dbraw/zinc/56/72/24/1370567224.db2.gz MFIUSIQRWCYSFD-GOSISDBHSA-N 2 2 330.403 3.168 20 0 EGADLP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CCO1 ZINC001204756169 1370567225 /nfs/dbraw/zinc/56/72/25/1370567225.db2.gz MFIUSIQRWCYSFD-GOSISDBHSA-N 2 2 330.403 3.168 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001204933922 1370610057 /nfs/dbraw/zinc/61/00/57/1370610057.db2.gz YHNLQRRQQHZKDW-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2cc(Br)cnc2c1 ZINC001204933922 1370610059 /nfs/dbraw/zinc/61/00/59/1370610059.db2.gz YHNLQRRQQHZKDW-OAHLLOKOSA-N 2 2 334.261 3.311 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318505 1370719968 /nfs/dbraw/zinc/71/99/68/1370719968.db2.gz VJAPDRZAGLZYSM-JQWIXIFHSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205318505 1370719972 /nfs/dbraw/zinc/71/99/72/1370719972.db2.gz VJAPDRZAGLZYSM-JQWIXIFHSA-N 2 2 329.257 3.313 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205273045 1370702642 /nfs/dbraw/zinc/70/26/42/1370702642.db2.gz CSRWPUVZZSFSMD-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(Br)c1 ZINC001205273045 1370702639 /nfs/dbraw/zinc/70/26/39/1370702639.db2.gz CSRWPUVZZSFSMD-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205487388 1370770126 /nfs/dbraw/zinc/77/01/26/1370770126.db2.gz DFHHLLRICZGQSW-IFOCYFHOSA-N 2 2 344.503 3.088 20 0 EGADLP CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205487388 1370770131 /nfs/dbraw/zinc/77/01/31/1370770131.db2.gz DFHHLLRICZGQSW-IFOCYFHOSA-N 2 2 344.503 3.088 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)COc1ccc(C)cc1C ZINC001116066086 1370830714 /nfs/dbraw/zinc/83/07/14/1370830714.db2.gz SIMCMRFLGXBDSC-UHFFFAOYSA-N 2 2 336.395 3.210 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cc1ccc(F)c(F)c1 ZINC001116244968 1370867849 /nfs/dbraw/zinc/86/78/49/1370867849.db2.gz HMRPGZQDFUYIRJ-UHFFFAOYSA-N 2 2 328.322 3.035 20 0 EGADLP CN(C)c1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3[NH+](C)C)CC2)cc1 ZINC001116296711 1370880338 /nfs/dbraw/zinc/88/03/38/1370880338.db2.gz ZNAKWRGVECFHRP-SFTDATJTSA-N 2 2 344.547 3.184 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N(C)[C@H](C)CC(C)C)[nH+]1 ZINC001116350752 1370891325 /nfs/dbraw/zinc/89/13/25/1370891325.db2.gz MLCWLQYGJJDTRG-MSOLQXFVSA-N 2 2 346.519 3.159 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)CC(C)C)[nH+]1 ZINC001116350752 1370891331 /nfs/dbraw/zinc/89/13/31/1370891331.db2.gz MLCWLQYGJJDTRG-MSOLQXFVSA-N 2 2 346.519 3.159 20 0 EGADLP CCOc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205912910 1370908678 /nfs/dbraw/zinc/90/86/78/1370908678.db2.gz DUZYLZYBBGKCPD-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205912910 1370908682 /nfs/dbraw/zinc/90/86/82/1370908682.db2.gz DUZYLZYBBGKCPD-TZMCWYRMSA-N 2 2 341.293 3.407 20 0 EGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923248 1370911993 /nfs/dbraw/zinc/91/19/93/1370911993.db2.gz LOCXYVKEXVRGIB-GHMZBOCLSA-N 2 2 342.365 3.021 20 0 EGADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923248 1370911998 /nfs/dbraw/zinc/91/19/98/1370911998.db2.gz LOCXYVKEXVRGIB-GHMZBOCLSA-N 2 2 342.365 3.021 20 0 EGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923251 1370912392 /nfs/dbraw/zinc/91/23/92/1370912392.db2.gz LOCXYVKEXVRGIB-WDEREUQCSA-N 2 2 342.365 3.021 20 0 EGADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001205923251 1370912396 /nfs/dbraw/zinc/91/23/96/1370912396.db2.gz LOCXYVKEXVRGIB-WDEREUQCSA-N 2 2 342.365 3.021 20 0 EGADLP CCC1(C)CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC001205924057 1370913102 /nfs/dbraw/zinc/91/31/02/1370913102.db2.gz HKBBDSYENDALTN-NYLDSWQDSA-N 2 2 330.516 3.354 20 0 EGADLP CCC1(C)CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC001205924057 1370913106 /nfs/dbraw/zinc/91/31/06/1370913106.db2.gz HKBBDSYENDALTN-NYLDSWQDSA-N 2 2 330.516 3.354 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001116526242 1370929969 /nfs/dbraw/zinc/92/99/69/1370929969.db2.gz VHKXKUSYLHVIIG-QAPCUYQASA-N 2 2 342.443 3.356 20 0 EGADLP CC(C)[N@H+](Cc1cncc(Br)c1)C1CC[NH+](C)CC1 ZINC001206138858 1370969671 /nfs/dbraw/zinc/96/96/71/1370969671.db2.gz JDEQTSPQLMNDPA-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP CC(C)[N@@H+](Cc1cncc(Br)c1)C1CC[NH+](C)CC1 ZINC001206138858 1370969673 /nfs/dbraw/zinc/96/96/73/1370969673.db2.gz JDEQTSPQLMNDPA-UHFFFAOYSA-N 2 2 326.282 3.149 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@@H]1F ZINC001206185333 1370985760 /nfs/dbraw/zinc/98/57/60/1370985760.db2.gz MUASQLWHMNFCJC-NWDGAFQWSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC[C@@H]1F ZINC001206185333 1370985762 /nfs/dbraw/zinc/98/57/62/1370985762.db2.gz MUASQLWHMNFCJC-NWDGAFQWSA-N 2 2 340.748 3.500 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001206326502 1371023373 /nfs/dbraw/zinc/02/33/73/1371023373.db2.gz OGOBAPIDKBJLHG-GOSISDBHSA-N 3 2 332.879 3.477 20 0 EGADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001206326502 1371023377 /nfs/dbraw/zinc/02/33/77/1371023377.db2.gz OGOBAPIDKBJLHG-GOSISDBHSA-N 3 2 332.879 3.477 20 0 EGADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206351977 1371029851 /nfs/dbraw/zinc/02/98/51/1371029851.db2.gz LIYMXDHDLXLBPA-OAHLLOKOSA-N 2 2 344.356 3.235 20 0 EGADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001206351977 1371029852 /nfs/dbraw/zinc/02/98/52/1371029852.db2.gz LIYMXDHDLXLBPA-OAHLLOKOSA-N 2 2 344.356 3.235 20 0 EGADLP COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc([C@H](C)[NH3+])c1 ZINC001206532882 1371084913 /nfs/dbraw/zinc/08/49/13/1371084913.db2.gz NHKPYXFPPZLLJA-HNNXBMFYSA-N 2 2 326.440 3.214 20 0 EGADLP COc1cc(Br)cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206633134 1371114032 /nfs/dbraw/zinc/11/40/32/1371114032.db2.gz UHNATMQFPFHELI-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cc(Br)cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206633134 1371114039 /nfs/dbraw/zinc/11/40/39/1371114039.db2.gz UHNATMQFPFHELI-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)ccc1Br ZINC001206631888 1371114752 /nfs/dbraw/zinc/11/47/52/1371114752.db2.gz CADRJSSBNSPJGH-CYBMUJFWSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)ccc1Br ZINC001206631888 1371114755 /nfs/dbraw/zinc/11/47/55/1371114755.db2.gz CADRJSSBNSPJGH-CYBMUJFWSA-N 2 2 327.266 3.019 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC001206646896 1371118494 /nfs/dbraw/zinc/11/84/94/1371118494.db2.gz DXTWXLGIUYYESS-LLVKDONJSA-N 2 2 342.365 3.022 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC001206646896 1371118497 /nfs/dbraw/zinc/11/84/97/1371118497.db2.gz DXTWXLGIUYYESS-LLVKDONJSA-N 2 2 342.365 3.022 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001206970006 1371252231 /nfs/dbraw/zinc/25/22/31/1371252231.db2.gz XDGWMXUULYOJHG-SFHVURJKSA-N 2 2 348.535 3.174 20 0 EGADLP c1[nH+]c(CN2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)n2ccccc12 ZINC001207050177 1371277270 /nfs/dbraw/zinc/27/72/70/1371277270.db2.gz LPOPZFFRLAALPD-BGYRXZFFSA-N 2 2 332.451 3.183 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062539 1371283288 /nfs/dbraw/zinc/28/32/88/1371283288.db2.gz HFPGVLAJWFXBPN-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062539 1371283290 /nfs/dbraw/zinc/28/32/90/1371283290.db2.gz HFPGVLAJWFXBPN-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062539 1371283296 /nfs/dbraw/zinc/28/32/96/1371283296.db2.gz HFPGVLAJWFXBPN-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001207062539 1371283299 /nfs/dbraw/zinc/28/32/99/1371283299.db2.gz HFPGVLAJWFXBPN-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)n1 ZINC001207165803 1371316297 /nfs/dbraw/zinc/31/62/97/1371316297.db2.gz IBOPQRBWOJANKR-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1nccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)n1 ZINC001207165803 1371316301 /nfs/dbraw/zinc/31/63/01/1371316301.db2.gz IBOPQRBWOJANKR-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1nccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n1 ZINC001207165803 1371316304 /nfs/dbraw/zinc/31/63/04/1371316304.db2.gz IBOPQRBWOJANKR-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1nccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)n1 ZINC001207165803 1371316306 /nfs/dbraw/zinc/31/63/06/1371316306.db2.gz IBOPQRBWOJANKR-ACRUOGEOSA-N 2 2 336.483 3.396 20 0 EGADLP Cc1[nH+]cc2n1CC[N@@H+](CCCc1ccc(Br)cc1)C2 ZINC001207315847 1371358193 /nfs/dbraw/zinc/35/81/93/1371358193.db2.gz KLMVBZLVMACPBV-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP Cc1[nH+]cc2n1CC[N@H+](CCCc1ccc(Br)cc1)C2 ZINC001207315847 1371358196 /nfs/dbraw/zinc/35/81/96/1371358196.db2.gz KLMVBZLVMACPBV-UHFFFAOYSA-N 2 2 334.261 3.402 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323603 1371361844 /nfs/dbraw/zinc/36/18/44/1371361844.db2.gz VPQAXAFPVDQRHW-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323603 1371361847 /nfs/dbraw/zinc/36/18/47/1371361847.db2.gz VPQAXAFPVDQRHW-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323603 1371361850 /nfs/dbraw/zinc/36/18/50/1371361850.db2.gz VPQAXAFPVDQRHW-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccc(Br)cc3)C[C@H]21 ZINC001207323603 1371361853 /nfs/dbraw/zinc/36/18/53/1371361853.db2.gz VPQAXAFPVDQRHW-DOTOQJQBSA-N 2 2 337.305 3.408 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691119 1371388996 /nfs/dbraw/zinc/38/89/96/1371388996.db2.gz GJQURCXVXNGVGJ-XEVCZEQESA-N 2 2 339.483 3.422 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001119691119 1371389002 /nfs/dbraw/zinc/38/90/02/1371389002.db2.gz GJQURCXVXNGVGJ-XEVCZEQESA-N 2 2 339.483 3.422 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1ccccc1F)CC2 ZINC001207496788 1371414843 /nfs/dbraw/zinc/41/48/43/1371414843.db2.gz OOVGUYZMLJXNSZ-UHFFFAOYSA-N 2 2 344.478 3.266 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1ccccc1F)CC2 ZINC001207496788 1371414847 /nfs/dbraw/zinc/41/48/47/1371414847.db2.gz OOVGUYZMLJXNSZ-UHFFFAOYSA-N 2 2 344.478 3.266 20 0 EGADLP CC[N@H+](CCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001207531378 1371427339 /nfs/dbraw/zinc/42/73/39/1371427339.db2.gz JSWLKSNTLZWKIV-UHFFFAOYSA-N 2 2 325.294 3.408 20 0 EGADLP CC[N@@H+](CCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001207531378 1371427341 /nfs/dbraw/zinc/42/73/41/1371427341.db2.gz JSWLKSNTLZWKIV-UHFFFAOYSA-N 2 2 325.294 3.408 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCCC1 ZINC001120068163 1371476076 /nfs/dbraw/zinc/47/60/76/1371476076.db2.gz FGMULUKCNPENAJ-INIZCTEOSA-N 2 2 348.535 3.352 20 0 EGADLP CC(C)[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207772569 1371499700 /nfs/dbraw/zinc/49/97/00/1371499700.db2.gz LTQXZMHWRVEJMK-UHFFFAOYSA-N 2 2 339.524 3.048 20 0 EGADLP CC(C)[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC001207772569 1371499702 /nfs/dbraw/zinc/49/97/02/1371499702.db2.gz LTQXZMHWRVEJMK-UHFFFAOYSA-N 2 2 339.524 3.048 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC2CCCCCC2)CCCCC1 ZINC001120248699 1371513901 /nfs/dbraw/zinc/51/39/01/1371513901.db2.gz OXCOOWNGHKXRSV-UHFFFAOYSA-N 2 2 346.519 3.262 20 0 EGADLP CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440897 1371579018 /nfs/dbraw/zinc/57/90/18/1371579018.db2.gz UVYRNDSMPFBAMY-ROUUACIJSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001120440897 1371579020 /nfs/dbraw/zinc/57/90/20/1371579020.db2.gz UVYRNDSMPFBAMY-ROUUACIJSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCCC1CCCC1)C2 ZINC001208091064 1371594289 /nfs/dbraw/zinc/59/42/89/1371594289.db2.gz NEMTXILGTVTXRN-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCCC1CCCC1)C2 ZINC001208091064 1371594290 /nfs/dbraw/zinc/59/42/90/1371594290.db2.gz NEMTXILGTVTXRN-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCCC1CCCC1)C2 ZINC001208091064 1371594295 /nfs/dbraw/zinc/59/42/95/1371594295.db2.gz NEMTXILGTVTXRN-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCCC1CCCC1)C2 ZINC001208091064 1371594297 /nfs/dbraw/zinc/59/42/97/1371594297.db2.gz NEMTXILGTVTXRN-UHFFFAOYSA-N 2 2 333.524 3.294 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[NH+]2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175780 1371619286 /nfs/dbraw/zinc/61/92/86/1371619286.db2.gz NTOPSKXNCURCBY-MSOLQXFVSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[NH+]2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175780 1371619320 /nfs/dbraw/zinc/61/93/20/1371619320.db2.gz NTOPSKXNCURCBY-MSOLQXFVSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175780 1371619362 /nfs/dbraw/zinc/61/93/62/1371619362.db2.gz NTOPSKXNCURCBY-MSOLQXFVSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@@H](C)[C@H](C[N@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175780 1371619387 /nfs/dbraw/zinc/61/93/87/1371619387.db2.gz NTOPSKXNCURCBY-MSOLQXFVSA-N 2 2 345.535 3.316 20 0 EGADLP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001208228406 1371665656 /nfs/dbraw/zinc/66/56/56/1371665656.db2.gz ZAVYQEMBHPIYIX-OAHLLOKOSA-N 2 2 327.428 3.128 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208386779 1371746747 /nfs/dbraw/zinc/74/67/47/1371746747.db2.gz HMOBXMRVMQJAOU-OALUTQOASA-N 2 2 348.535 3.487 20 0 EGADLP Clc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208740754 1371880208 /nfs/dbraw/zinc/88/02/08/1371880208.db2.gz UOBDAAYSDLMDFX-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208740754 1371880211 /nfs/dbraw/zinc/88/02/11/1371880211.db2.gz UOBDAAYSDLMDFX-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208740754 1371880213 /nfs/dbraw/zinc/88/02/13/1371880213.db2.gz UOBDAAYSDLMDFX-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001208740754 1371880219 /nfs/dbraw/zinc/88/02/19/1371880219.db2.gz UOBDAAYSDLMDFX-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP CC(C)=CC[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001208808416 1371902811 /nfs/dbraw/zinc/90/28/11/1371902811.db2.gz WUSVBDCKWIUIJY-SFHVURJKSA-N 2 2 338.455 3.033 20 0 EGADLP Cc1cccc2c(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)c[nH]c21 ZINC001209484436 1372118580 /nfs/dbraw/zinc/11/85/80/1372118580.db2.gz FRTBHAFFHHUBIQ-UHFFFAOYSA-N 2 2 326.444 3.106 20 0 EGADLP Nc1cc[nH+]cc1C[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001209737368 1372180255 /nfs/dbraw/zinc/18/02/55/1372180255.db2.gz LFZQHGSAPAVBPI-UHFFFAOYSA-N 2 2 337.254 3.123 20 0 EGADLP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC001326478727 1388207933 /nfs/dbraw/zinc/20/79/33/1388207933.db2.gz DEDWZQAOCOGJHK-INIZCTEOSA-N 2 2 340.471 3.040 20 0 EGADLP Clc1ccc2[nH+]ccc(Nc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC001212990493 1372813440 /nfs/dbraw/zinc/81/34/40/1372813440.db2.gz VGLIELRQVHDBDI-UHFFFAOYSA-N 2 2 340.814 3.285 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+][C@@H](C)c3cccc(C)c3)ccn12 ZINC001127299415 1373113181 /nfs/dbraw/zinc/11/31/81/1373113181.db2.gz PXURDMSNEAZLTA-INIZCTEOSA-N 2 2 336.439 3.032 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214916499 1373141700 /nfs/dbraw/zinc/14/17/00/1373141700.db2.gz FIWAZIORJHGGKR-IOIJZZRGSA-N 2 2 346.519 3.263 20 0 EGADLP COC(=O)c1cccc2[nH+]cc(Nc3cccc(C[NH+](C)C)c3F)n21 ZINC001216228165 1373285325 /nfs/dbraw/zinc/28/53/25/1373285325.db2.gz UHHVVTZZHOAQOK-UHFFFAOYSA-N 2 2 342.374 3.065 20 0 EGADLP c1cn(-c2ccccc2-c2noc(-c3ccc4c(c3)C[NH2+]CC4)n2)c[nH+]1 ZINC001217382685 1373435582 /nfs/dbraw/zinc/43/55/82/1373435582.db2.gz SUFBNWZEHOWNNM-UHFFFAOYSA-N 2 2 343.390 3.235 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CCCC1CCCC1)n1cc[nH+]c1 ZINC001130001380 1373444434 /nfs/dbraw/zinc/44/44/34/1373444434.db2.gz MXNQUTWUYIMKDG-GOSISDBHSA-N 2 2 334.508 3.147 20 0 EGADLP O=C(NCC[NH2+]CCC1CCCCCC1)c1cccc2[nH+]ccn21 ZINC001131270257 1373672605 /nfs/dbraw/zinc/67/26/05/1373672605.db2.gz GCHXXAWNFIXJKG-UHFFFAOYSA-N 2 2 328.460 3.014 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc(C)c(C)c2)c(C)[nH+]1 ZINC001131560489 1373721821 /nfs/dbraw/zinc/72/18/21/1373721821.db2.gz PXLADVCLXCHMAV-UHFFFAOYSA-N 2 2 325.456 3.143 20 0 EGADLP C[C@]12CC3CC(NC(=O)c4ccc([C@H]([NH3+])C[NH3+])cc4)(C1)C[C@@](C)(C3)C2 ZINC001219994127 1373744443 /nfs/dbraw/zinc/74/44/43/1373744443.db2.gz DHVIFCZXBDODHO-MPAZQJNFSA-N 2 2 341.499 3.124 20 0 EGADLP Clc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272711 1373823148 /nfs/dbraw/zinc/82/31/48/1373823148.db2.gz ZSVAQWLZZCBANU-IBGZPJMESA-N 2 2 344.890 3.491 20 0 EGADLP Clc1cc(-n2cccn2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272711 1373823153 /nfs/dbraw/zinc/82/31/53/1373823153.db2.gz ZSVAQWLZZCBANU-IBGZPJMESA-N 2 2 344.890 3.491 20 0 EGADLP C[NH+]1CCC(c2ccc(C(=O)Nc3cc[nH+]c4c3CCC4)cc2)CC1 ZINC001188305231 1388287540 /nfs/dbraw/zinc/28/75/40/1388287540.db2.gz CCQVOXADDWIJPV-UHFFFAOYSA-N 2 2 335.451 3.054 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131977268 1375079141 /nfs/dbraw/zinc/07/91/41/1375079141.db2.gz ZMSCXTNDTDBBCJ-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCC1CCCCC1 ZINC001132024971 1375104696 /nfs/dbraw/zinc/10/46/96/1375104696.db2.gz KWEYYDCXNHOVLS-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCC1CCCCC1 ZINC001132024971 1375104699 /nfs/dbraw/zinc/10/46/99/1375104699.db2.gz KWEYYDCXNHOVLS-WMZOPIPTSA-N 2 2 346.519 3.282 20 0 EGADLP CCCCCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001225652989 1375139249 /nfs/dbraw/zinc/13/92/49/1375139249.db2.gz OQCSZAIHBWSUDJ-UHFFFAOYSA-N 2 2 334.508 3.072 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546035 1375452399 /nfs/dbraw/zinc/45/23/99/1375452399.db2.gz HXDGCMNNHIJUSZ-OBNUAKFSSA-N 2 2 346.519 3.379 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[C@@H]1C ZINC001132546035 1375452402 /nfs/dbraw/zinc/45/24/02/1375452402.db2.gz HXDGCMNNHIJUSZ-OBNUAKFSSA-N 2 2 346.519 3.379 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCC(C)(C)C ZINC001132546567 1375453105 /nfs/dbraw/zinc/45/31/05/1375453105.db2.gz NXYRURQGBPLXNM-IRXDYDNUSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCC(C)(C)C ZINC001132546567 1375453111 /nfs/dbraw/zinc/45/31/11/1375453111.db2.gz NXYRURQGBPLXNM-IRXDYDNUSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC[C@H](C)F)c(C)[nH+]1 ZINC001227631237 1375456477 /nfs/dbraw/zinc/45/64/77/1375456477.db2.gz USXCKJUUQKICAA-IAOVAPTHSA-N 2 2 335.467 3.386 20 0 EGADLP CC(C)CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922731 1375491537 /nfs/dbraw/zinc/49/15/37/1375491537.db2.gz FHLJLXNLUBSUER-GOSISDBHSA-N 2 2 334.508 3.097 20 0 EGADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132919036 1375643318 /nfs/dbraw/zinc/64/33/18/1375643318.db2.gz CDCZEEKBTZGADM-NVXWUHKLSA-N 2 2 342.487 3.441 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1)n1cc[nH+]c1 ZINC001228852054 1375693723 /nfs/dbraw/zinc/69/37/23/1375693723.db2.gz GKROHORJJYYPMI-CGTJXYLNSA-N 2 2 346.519 3.287 20 0 EGADLP CCCCCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132999056 1375704072 /nfs/dbraw/zinc/70/40/72/1375704072.db2.gz WIHIRIQGGNPEQJ-ROUUACIJSA-N 2 2 348.535 3.007 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230627693 1376106544 /nfs/dbraw/zinc/10/65/44/1376106544.db2.gz DVHPXZMKJFXDSL-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230627693 1376106546 /nfs/dbraw/zinc/10/65/46/1376106546.db2.gz DVHPXZMKJFXDSL-LJQANCHMSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(C)n1 ZINC001232081384 1376397038 /nfs/dbraw/zinc/39/70/38/1376397038.db2.gz WENJUTVRFJLXBQ-ROUUACIJSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001134545815 1376584342 /nfs/dbraw/zinc/58/43/42/1376584342.db2.gz RMXYABVNUHOVHU-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP Cc1ccc(C)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001134545815 1376584348 /nfs/dbraw/zinc/58/43/48/1376584348.db2.gz RMXYABVNUHOVHU-SJORKVTESA-N 2 2 342.487 3.032 20 0 EGADLP CN(C[C@H]1CC[N@@H+]1CCC1CCCCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011813 1376753470 /nfs/dbraw/zinc/75/34/70/1376753470.db2.gz MRGFBMHXKDDEKI-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CN(C[C@H]1CC[N@H+]1CCC1CCCCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC001234011813 1376753474 /nfs/dbraw/zinc/75/34/74/1376753474.db2.gz MRGFBMHXKDDEKI-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963853 1376813904 /nfs/dbraw/zinc/81/39/04/1376813904.db2.gz BFODPMUUHCLARS-JKSUJKDBSA-N 2 2 342.487 3.401 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134963831 1376814414 /nfs/dbraw/zinc/81/44/14/1376814414.db2.gz AZMFLMCKYUQJRQ-GJZGRUSLSA-N 2 2 328.460 3.011 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccsc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970206 1376818768 /nfs/dbraw/zinc/81/87/68/1376818768.db2.gz QDPBLARPJDRIOH-KBPBESRZSA-N 2 2 342.468 3.083 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001235031950 1376831837 /nfs/dbraw/zinc/83/18/37/1376831837.db2.gz IFPYIHVREGURFW-KRWDZBQOSA-N 2 2 348.288 3.126 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2cc(Br)ccc21 ZINC001235031950 1376831840 /nfs/dbraw/zinc/83/18/40/1376831840.db2.gz IFPYIHVREGURFW-KRWDZBQOSA-N 2 2 348.288 3.126 20 0 EGADLP c1ccc(Oc2ccc(C[N@@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235113751 1376846161 /nfs/dbraw/zinc/84/61/61/1376846161.db2.gz FNCJPAHTLJHCGK-OAQYLSRUSA-N 2 2 338.451 3.433 20 0 EGADLP c1ccc(Oc2ccc(C[N@H+]3CCC[C@@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235113751 1376846165 /nfs/dbraw/zinc/84/61/65/1376846165.db2.gz FNCJPAHTLJHCGK-OAQYLSRUSA-N 2 2 338.451 3.433 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccccn2)c(C)[nH+]1 ZINC001135039208 1376863315 /nfs/dbraw/zinc/86/33/15/1376863315.db2.gz VDGQJLYHDLHKDD-GOEBONIOSA-N 2 2 340.471 3.089 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CCCC1CCCC1 ZINC001135136656 1376925881 /nfs/dbraw/zinc/92/58/81/1376925881.db2.gz JGFWSUSIGLKXCZ-SJORKVTESA-N 2 2 334.508 3.117 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC001135138243 1376928560 /nfs/dbraw/zinc/92/85/60/1376928560.db2.gz YQMCOFPUYQZNML-IRXDYDNUSA-N 2 2 348.535 3.363 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001240026169 1377011733 /nfs/dbraw/zinc/01/17/33/1377011733.db2.gz UZRCCNMLTGDUNL-FQEVSTJZSA-N 2 2 337.467 3.025 20 0 EGADLP CC(C)NC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001240026169 1377011737 /nfs/dbraw/zinc/01/17/37/1377011737.db2.gz UZRCCNMLTGDUNL-FQEVSTJZSA-N 2 2 337.467 3.025 20 0 EGADLP CCOc1cc(OC)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001250071370 1377081242 /nfs/dbraw/zinc/08/12/42/1377081242.db2.gz NZIQFBQHWNPLKK-GOSISDBHSA-N 2 2 342.439 3.451 20 0 EGADLP CCOc1cc(OC)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001250071370 1377081243 /nfs/dbraw/zinc/08/12/43/1377081243.db2.gz NZIQFBQHWNPLKK-GOSISDBHSA-N 2 2 342.439 3.451 20 0 EGADLP CC(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001135840508 1377229034 /nfs/dbraw/zinc/22/90/34/1377229034.db2.gz KBANMKRRXVFLQP-DLBZAZTESA-N 2 2 342.487 3.405 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001135944314 1377272867 /nfs/dbraw/zinc/27/28/67/1377272867.db2.gz IINDUHSRSRCDBC-CVEARBPZSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001136032352 1377305995 /nfs/dbraw/zinc/30/59/95/1377305995.db2.gz ZKQOLMJQCUZBPQ-HUUCEWRRSA-N 2 2 346.519 3.104 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cnn(C(C)C)c4)C[C@H]3C2)cc1 ZINC001137074704 1377473558 /nfs/dbraw/zinc/47/35/58/1377473558.db2.gz RNXIDELEVWWSDV-NHCUHLMSSA-N 2 2 338.499 3.336 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(-n2ccnn2)cc1 ZINC001137369257 1377533900 /nfs/dbraw/zinc/53/39/00/1377533900.db2.gz JRHUYQKVDGFSEN-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(-n2ccnn2)cc1 ZINC001137369257 1377533902 /nfs/dbraw/zinc/53/39/02/1377533902.db2.gz JRHUYQKVDGFSEN-UHFFFAOYSA-N 2 2 344.422 3.085 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3ccc(F)cc3Br)C2)CC1 ZINC001137550286 1377564963 /nfs/dbraw/zinc/56/49/63/1377564963.db2.gz RCLITDUFPZKRLX-UHFFFAOYSA-N 2 2 327.241 3.116 20 0 EGADLP Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)c1F ZINC001137673778 1377589079 /nfs/dbraw/zinc/58/90/79/1377589079.db2.gz RNQBKIRYXMDFLU-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)c1F ZINC001137673778 1377589081 /nfs/dbraw/zinc/58/90/81/1377589081.db2.gz RNQBKIRYXMDFLU-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1F ZINC001137673778 1377589082 /nfs/dbraw/zinc/58/90/82/1377589082.db2.gz RNQBKIRYXMDFLU-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c1F ZINC001137673778 1377589085 /nfs/dbraw/zinc/58/90/85/1377589085.db2.gz RNQBKIRYXMDFLU-FQEVSTJZSA-N 2 2 334.479 3.457 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1C ZINC001138140681 1377684111 /nfs/dbraw/zinc/68/41/11/1377684111.db2.gz SRQYYBORVLCHGX-UHFFFAOYSA-N 2 2 347.503 3.259 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)cc1OC ZINC001138850439 1377794789 /nfs/dbraw/zinc/79/47/89/1377794789.db2.gz DNHMYBJZLFCKEM-UHFFFAOYSA-N 2 2 334.382 3.367 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(F)(F)F)cc1OC ZINC001138850439 1377794790 /nfs/dbraw/zinc/79/47/90/1377794790.db2.gz DNHMYBJZLFCKEM-UHFFFAOYSA-N 2 2 334.382 3.367 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)cc[nH+]1 ZINC001139074069 1377824845 /nfs/dbraw/zinc/82/48/45/1377824845.db2.gz AEPSIRSYBJTFGN-UHFFFAOYSA-N 2 2 345.830 3.094 20 0 EGADLP CCn1ccc2ccc(C[NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)cc21 ZINC001139122813 1377833967 /nfs/dbraw/zinc/83/39/67/1377833967.db2.gz LXEFUATWUSWGLE-UHFFFAOYSA-N 2 2 349.482 3.390 20 0 EGADLP Cn1ccc2c1cccc2C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001139158942 1377841499 /nfs/dbraw/zinc/84/14/99/1377841499.db2.gz HHOKIFQRCMVTCL-OALUTQOASA-N 2 2 346.478 3.137 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139185999 1377846135 /nfs/dbraw/zinc/84/61/35/1377846135.db2.gz JWNHAZPENHFYGW-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139185999 1377846136 /nfs/dbraw/zinc/84/61/36/1377846136.db2.gz JWNHAZPENHFYGW-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139185999 1377846138 /nfs/dbraw/zinc/84/61/38/1377846138.db2.gz JWNHAZPENHFYGW-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4cc(Br)ccc4[nH]3)C[C@@H]2C1 ZINC001139185999 1377846139 /nfs/dbraw/zinc/84/61/39/1377846139.db2.gz JWNHAZPENHFYGW-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP Cc1cccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c21 ZINC001139196111 1377849171 /nfs/dbraw/zinc/84/91/71/1377849171.db2.gz ZSUDWUXXWKBHNY-OALUTQOASA-N 2 2 346.478 3.435 20 0 EGADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC001139360760 1377874328 /nfs/dbraw/zinc/87/43/28/1377874328.db2.gz FXTWGIDCNHWBKI-FQEVSTJZSA-N 2 2 347.418 3.145 20 0 EGADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)Cc2ccccc21 ZINC001139360760 1377874329 /nfs/dbraw/zinc/87/43/29/1377874329.db2.gz FXTWGIDCNHWBKI-FQEVSTJZSA-N 2 2 347.418 3.145 20 0 EGADLP Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364632 1377874566 /nfs/dbraw/zinc/87/45/66/1377874566.db2.gz ZVEFGFVYVOWNIH-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1cncnc1O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364632 1377874567 /nfs/dbraw/zinc/87/45/67/1377874567.db2.gz ZVEFGFVYVOWNIH-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139542204 1377901572 /nfs/dbraw/zinc/90/15/72/1377901572.db2.gz GONIBGQZMNTTJA-UHFFFAOYSA-N 2 2 340.393 3.498 20 0 EGADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139542204 1377901577 /nfs/dbraw/zinc/90/15/77/1377901577.db2.gz GONIBGQZMNTTJA-UHFFFAOYSA-N 2 2 340.393 3.498 20 0 EGADLP O=C(C1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1)N1CCCCCC1 ZINC001140802871 1378140489 /nfs/dbraw/zinc/14/04/89/1378140489.db2.gz HLNAVCOOYCWDNE-UHFFFAOYSA-N 2 2 340.471 3.178 20 0 EGADLP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802499 1378141651 /nfs/dbraw/zinc/14/16/51/1378141651.db2.gz XCUMPUYEUBJQHD-IBGZPJMESA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802499 1378141654 /nfs/dbraw/zinc/14/16/54/1378141654.db2.gz XCUMPUYEUBJQHD-IBGZPJMESA-N 2 2 344.459 3.442 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802256 1378142393 /nfs/dbraw/zinc/14/23/93/1378142393.db2.gz SJCGBROGUNJMSJ-AWEZNQCLSA-N 2 2 344.459 3.252 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802256 1378142398 /nfs/dbraw/zinc/14/23/98/1378142398.db2.gz SJCGBROGUNJMSJ-AWEZNQCLSA-N 2 2 344.459 3.252 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(OC)cc1C ZINC001275582332 1378144627 /nfs/dbraw/zinc/14/46/27/1378144627.db2.gz NBBWENYUBYFGRP-HXUWFJFHSA-N 2 2 332.488 3.320 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(OC)cc1C ZINC001275582332 1378144630 /nfs/dbraw/zinc/14/46/30/1378144630.db2.gz NBBWENYUBYFGRP-HXUWFJFHSA-N 2 2 332.488 3.320 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(OC)cc1C ZINC001275582332 1378144634 /nfs/dbraw/zinc/14/46/34/1378144634.db2.gz NBBWENYUBYFGRP-HXUWFJFHSA-N 2 2 332.488 3.320 20 0 EGADLP COc1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(OC)cc1C ZINC001275582332 1378144637 /nfs/dbraw/zinc/14/46/37/1378144637.db2.gz NBBWENYUBYFGRP-HXUWFJFHSA-N 2 2 332.488 3.320 20 0 EGADLP Fc1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c(F)c1 ZINC001140807436 1378146443 /nfs/dbraw/zinc/14/64/43/1378146443.db2.gz ZELGIVOMWZNSDI-UHFFFAOYSA-N 2 2 328.366 3.163 20 0 EGADLP CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807036 1378147421 /nfs/dbraw/zinc/14/74/21/1378147421.db2.gz IYJKAYMUIYORSK-UHFFFAOYSA-N 2 2 344.459 3.442 20 0 EGADLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CCN(Cc3cccc(N)[nH+]3)[C@@H]2C1 ZINC001276492779 1378176320 /nfs/dbraw/zinc/17/63/20/1378176320.db2.gz MXRABTHQIWRZMR-JENIJYKNSA-N 2 2 330.520 3.386 20 0 EGADLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(Cc3cccc(N)[nH+]3)[C@@H]2C1 ZINC001276492779 1378176322 /nfs/dbraw/zinc/17/63/22/1378176322.db2.gz MXRABTHQIWRZMR-JENIJYKNSA-N 2 2 330.520 3.386 20 0 EGADLP C[N@H+](CCCC(=O)c1cccnc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242816 1378281292 /nfs/dbraw/zinc/28/12/92/1378281292.db2.gz KKAMGJWKGVFKBF-UHFFFAOYSA-N 2 2 334.423 3.362 20 0 EGADLP C[N@@H+](CCCC(=O)c1cccnc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242816 1378281298 /nfs/dbraw/zinc/28/12/98/1378281298.db2.gz KKAMGJWKGVFKBF-UHFFFAOYSA-N 2 2 334.423 3.362 20 0 EGADLP Cc1cccn2cc(C[NH+]3CCC4(C[NH+](Cc5ccc[nH]5)C4)CC3)nc12 ZINC001279634917 1378317196 /nfs/dbraw/zinc/31/71/96/1378317196.db2.gz BFFJHDHKECIGAY-UHFFFAOYSA-N 2 2 349.482 3.069 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401160 1378318486 /nfs/dbraw/zinc/31/84/86/1378318486.db2.gz KDRBXDNKEJHPAT-KRWDZBQOSA-N 2 2 344.386 3.049 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC001141401160 1378318490 /nfs/dbraw/zinc/31/84/90/1378318490.db2.gz KDRBXDNKEJHPAT-KRWDZBQOSA-N 2 2 344.386 3.049 20 0 EGADLP Cc1ccc2cc(C[NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)ccc2n1 ZINC001141480674 1378332504 /nfs/dbraw/zinc/33/25/04/1378332504.db2.gz QOGXEEMEARYLFJ-UHFFFAOYSA-N 2 2 347.466 3.272 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770583 1378372441 /nfs/dbraw/zinc/37/24/41/1378372441.db2.gz SSLAYXCDOLJKNP-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001280770583 1378372446 /nfs/dbraw/zinc/37/24/46/1378372446.db2.gz SSLAYXCDOLJKNP-ROUUACIJSA-N 2 2 348.535 3.006 20 0 EGADLP c1cn2cc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)ccc2[nH+]1 ZINC001143029427 1378529967 /nfs/dbraw/zinc/52/99/67/1378529967.db2.gz YYBYHYXAZMWGJQ-VQTJNVASSA-N 2 2 332.451 3.041 20 0 EGADLP c1cn2cc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)ccc2[nH+]1 ZINC001143029427 1378529978 /nfs/dbraw/zinc/52/99/78/1378529978.db2.gz YYBYHYXAZMWGJQ-VQTJNVASSA-N 2 2 332.451 3.041 20 0 EGADLP Cc1cc(Br)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001144213351 1378699767 /nfs/dbraw/zinc/69/97/67/1378699767.db2.gz YQYSWICHJOYVLZ-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP CCC/C=C\CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001146706473 1378902888 /nfs/dbraw/zinc/90/28/88/1378902888.db2.gz FLRNOVBTKWBACL-DFOOCIKTSA-N 2 2 334.508 3.283 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC001327870258 1388611206 /nfs/dbraw/zinc/61/12/06/1388611206.db2.gz DOAVESGGLZBQGQ-SFHVURJKSA-N 2 2 341.499 3.267 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC001327870258 1388611211 /nfs/dbraw/zinc/61/12/11/1388611211.db2.gz DOAVESGGLZBQGQ-SFHVURJKSA-N 2 2 341.499 3.267 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC001327870258 1388611214 /nfs/dbraw/zinc/61/12/14/1388611214.db2.gz DOAVESGGLZBQGQ-SFHVURJKSA-N 2 2 341.499 3.267 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC001327870258 1388611218 /nfs/dbraw/zinc/61/12/18/1388611218.db2.gz DOAVESGGLZBQGQ-SFHVURJKSA-N 2 2 341.499 3.267 20 0 EGADLP CC[N@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115421 1380024031 /nfs/dbraw/zinc/02/40/31/1380024031.db2.gz XVOBTHXXWCXTCW-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCC1CCCCC1)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115421 1380024034 /nfs/dbraw/zinc/02/40/34/1380024034.db2.gz XVOBTHXXWCXTCW-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](Cc1ccsc1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994056 1380173157 /nfs/dbraw/zinc/17/31/57/1380173157.db2.gz CIZRYHACLPOFCH-OAHLLOKOSA-N 2 2 348.516 3.015 20 0 EGADLP CC[N@@H+](Cc1ccsc1)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153994056 1380173159 /nfs/dbraw/zinc/17/31/59/1380173159.db2.gz CIZRYHACLPOFCH-OAHLLOKOSA-N 2 2 348.516 3.015 20 0 EGADLP FC(F)(COc1cccc(Cl)n1)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155058366 1380400682 /nfs/dbraw/zinc/40/06/82/1380400682.db2.gz ZDUPDVTZNIXMCA-UHFFFAOYSA-N 2 2 342.777 3.027 20 0 EGADLP COc1cc2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c2cc1F ZINC001155063041 1380401158 /nfs/dbraw/zinc/40/11/58/1380401158.db2.gz KVTPCPCHEASLHV-UHFFFAOYSA-N 2 2 326.375 3.035 20 0 EGADLP CC[N@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193200 1380422434 /nfs/dbraw/zinc/42/24/34/1380422434.db2.gz ICZJUCZXAABMPX-WBVHZDCISA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193200 1380422435 /nfs/dbraw/zinc/42/24/35/1380422435.db2.gz ICZJUCZXAABMPX-WBVHZDCISA-N 2 2 346.519 3.237 20 0 EGADLP CC[C@@H](C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149698 1380531513 /nfs/dbraw/zinc/53/15/13/1380531513.db2.gz VZMHTHQCKZBSCM-IAGOWNOFSA-N 2 2 342.487 3.359 20 0 EGADLP CC[C@@H](C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001156149698 1380531514 /nfs/dbraw/zinc/53/15/14/1380531514.db2.gz VZMHTHQCKZBSCM-IAGOWNOFSA-N 2 2 342.487 3.359 20 0 EGADLP Nc1cc(CNc2[nH+]cnc3c2ccn3Cc2cccc(F)c2)cc[nH+]1 ZINC001156756757 1380627274 /nfs/dbraw/zinc/62/72/74/1380627274.db2.gz FNLXRAWJHHDSPS-UHFFFAOYSA-N 2 2 348.385 3.208 20 0 EGADLP C[C@@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001157438945 1380895286 /nfs/dbraw/zinc/89/52/86/1380895286.db2.gz QKLIZPDKYKZZEL-OAGGEKHMSA-N 2 2 330.476 3.272 20 0 EGADLP CCc1cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)nc(C)[nH+]1 ZINC001158168565 1381146866 /nfs/dbraw/zinc/14/68/66/1381146866.db2.gz VZZLEKSUMXCJGA-SAABIXHNSA-N 2 2 325.460 3.019 20 0 EGADLP Cc1cc(N([C@H](F)c2ccnc(Cl)c2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001158391300 1381229323 /nfs/dbraw/zinc/22/93/23/1381229323.db2.gz AHOCYUPOUGWNFR-KRWDZBQOSA-N 2 2 349.841 3.369 20 0 EGADLP Brc1c[nH+]c2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cn12 ZINC001159227220 1381737063 /nfs/dbraw/zinc/73/70/63/1381737063.db2.gz GMYMSZPWNHTGIO-UHFFFAOYSA-N 2 2 343.228 3.486 20 0 EGADLP COc1c(C)cc(Nc2ccc[nH+]c2N2CCC([NH3+])CC2)cc1C ZINC001159262160 1381746646 /nfs/dbraw/zinc/74/66/46/1381746646.db2.gz RQWZJBWZOGLFJI-UHFFFAOYSA-N 2 2 326.444 3.378 20 0 EGADLP Cc1[nH+]cc(C2CC2)cc1Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001159555328 1381829465 /nfs/dbraw/zinc/82/94/65/1381829465.db2.gz QXYSCBZUKNELAA-UHFFFAOYSA-N 2 2 336.439 3.056 20 0 EGADLP CN(C)c1ccc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)c[nH+]1 ZINC001159889092 1381929051 /nfs/dbraw/zinc/92/90/51/1381929051.db2.gz AHDCMXNYZNMYNQ-UHFFFAOYSA-N 2 2 344.434 3.409 20 0 EGADLP Cc1ccc2c(Nc3cccc(C(=O)N4CC[NH2+]CC4)c3)cccc2[nH+]1 ZINC001159994302 1381962958 /nfs/dbraw/zinc/96/29/58/1381962958.db2.gz LRUAIEAIYNOZJG-UHFFFAOYSA-N 2 2 346.434 3.332 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC3=CC[N@H+](CC(C)C)CC3)ccn12 ZINC001160126211 1382005720 /nfs/dbraw/zinc/00/57/20/1382005720.db2.gz WPXVCVUXPRLNNE-UHFFFAOYSA-N 2 2 340.471 3.051 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCCC3=CC[N@@H+](CC(C)C)CC3)ccn12 ZINC001160126211 1382005723 /nfs/dbraw/zinc/00/57/23/1382005723.db2.gz WPXVCVUXPRLNNE-UHFFFAOYSA-N 2 2 340.471 3.051 20 0 EGADLP Fc1cccc(O[C@@H]2CC[NH2+]C2)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001160129148 1382006596 /nfs/dbraw/zinc/00/65/96/1382006596.db2.gz YBCJTVPTRSCNFT-OAHLLOKOSA-N 2 2 342.418 3.305 20 0 EGADLP CC1(C)C[NH2+]Cc2cc(Nc3ccc(N4CCOCC4)[nH+]c3)ccc21 ZINC001160286160 1382062061 /nfs/dbraw/zinc/06/20/61/1382062061.db2.gz FBYLMUUELFQVMR-UHFFFAOYSA-N 2 2 338.455 3.043 20 0 EGADLP Nc1cc(Cl)ccc1N(c1ccn2cc[nH+]c2c1)C1CC[NH2+]CC1 ZINC001160288820 1382062862 /nfs/dbraw/zinc/06/28/62/1382062862.db2.gz QIBABHCYSIWNTE-UHFFFAOYSA-N 2 2 341.846 3.460 20 0 EGADLP c1cc2c(c(Nc3ccc(N4CCCCC4)[nH+]c3)c1)[C@@H]1C[NH2+]C[C@H]1O2 ZINC001160394789 1382092462 /nfs/dbraw/zinc/09/24/62/1382092462.db2.gz NFIIZEGOWGWPRJ-CRAIPNDOSA-N 2 2 336.439 3.263 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001160522410 1382130606 /nfs/dbraw/zinc/13/06/06/1382130606.db2.gz ZGHFXIYAXOSKQX-IBGZPJMESA-N 2 2 342.487 3.075 20 0 EGADLP O=C(NCCC[NH2+]CCC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001160992042 1382266027 /nfs/dbraw/zinc/26/60/27/1382266027.db2.gz PQQFEJVOLSVVBR-UHFFFAOYSA-N 2 2 328.460 3.243 20 0 EGADLP Cc1nc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c(C)c(C)[nH+]1 ZINC001161137338 1382315667 /nfs/dbraw/zinc/31/56/67/1382315667.db2.gz QKEIQXFQNLAGQX-UHFFFAOYSA-N 2 2 326.444 3.184 20 0 EGADLP CCN(CC)c1cc(NCC2CC[NH+](CC3CCC3)CC2)nc[nH+]1 ZINC001161233845 1382350964 /nfs/dbraw/zinc/35/09/64/1382350964.db2.gz FOOJMCRBNCRBHC-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP CCN(CC)c1cc(NCC2CC[NH+](CC3CCC3)CC2)[nH+]cn1 ZINC001161233845 1382350968 /nfs/dbraw/zinc/35/09/68/1382350968.db2.gz FOOJMCRBNCRBHC-UHFFFAOYSA-N 2 2 331.508 3.247 20 0 EGADLP Clc1ccc2c(cc[nH+]c2NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC001161464925 1382416009 /nfs/dbraw/zinc/41/60/09/1382416009.db2.gz UDNNWJCGKITVEV-MRXNPFEDSA-N 2 2 330.863 3.126 20 0 EGADLP CCOc1ccc([C@@H](C)Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)cc1 ZINC001161977166 1382584061 /nfs/dbraw/zinc/58/40/61/1382584061.db2.gz MPCJDDPMFACGHR-MRXNPFEDSA-N 2 2 340.471 3.405 20 0 EGADLP Cc1nc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c(C)c(C)[nH+]1 ZINC001161990707 1382591823 /nfs/dbraw/zinc/59/18/23/1382591823.db2.gz VSHUPUKUWQQFGT-UHFFFAOYSA-N 2 2 328.435 3.081 20 0 EGADLP COCCC1([NH3+])CCN(c2cc(C3CCCCC3)[nH+]c(C)n2)CC1 ZINC001162045978 1382612628 /nfs/dbraw/zinc/61/26/28/1382612628.db2.gz IXPCHGHVSWYPHA-UHFFFAOYSA-N 2 2 332.492 3.167 20 0 EGADLP O=C(NCCC[NH2+]CCCC1CCCC1)c1cccc2[nH+]ccn21 ZINC001162427458 1382756379 /nfs/dbraw/zinc/75/63/79/1382756379.db2.gz HOKDWSQJDKNGBJ-UHFFFAOYSA-N 2 2 328.460 3.014 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1c(Br)c[nH+]c2ccccc21 ZINC001162467695 1382766283 /nfs/dbraw/zinc/76/62/83/1382766283.db2.gz RTPMJBSDPNHUFX-QWHCGFSZSA-N 2 2 348.288 3.467 20 0 EGADLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001162471743 1382767964 /nfs/dbraw/zinc/76/79/64/1382767964.db2.gz QKNBMLCCUMHIGA-HZPDHXFCSA-N 2 2 326.444 3.103 20 0 EGADLP CCc1ccc(C[NH2+]CCCNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001162910545 1382912979 /nfs/dbraw/zinc/91/29/79/1382912979.db2.gz QOJPPPWFOMHWKF-UHFFFAOYSA-N 2 2 339.483 3.479 20 0 EGADLP Cc1cccc(C[NH2+]CCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001163472566 1383059413 /nfs/dbraw/zinc/05/94/13/1383059413.db2.gz IOXIGFDZHIXQRG-UHFFFAOYSA-N 2 2 348.450 3.090 20 0 EGADLP Cc1ccc2c(F)c(F)cc(NCC3([NH+](C)C)CC[NH+](C)CC3)c2n1 ZINC001164213606 1383166506 /nfs/dbraw/zinc/16/65/06/1383166506.db2.gz YIWYLHUARHQHKE-UHFFFAOYSA-N 2 2 348.441 3.259 20 0 EGADLP COc1ccc(C)[nH+]c1N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001165150856 1383237788 /nfs/dbraw/zinc/23/77/88/1383237788.db2.gz QLMSVAGOIGGZSJ-UHFFFAOYSA-N 2 2 337.467 3.426 20 0 EGADLP COc1ccc(C)[nH+]c1N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001165150856 1383237793 /nfs/dbraw/zinc/23/77/93/1383237793.db2.gz QLMSVAGOIGGZSJ-UHFFFAOYSA-N 2 2 337.467 3.426 20 0 EGADLP C1=CC2(CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC2)c2ccccc21 ZINC001165334499 1383275814 /nfs/dbraw/zinc/27/58/14/1383275814.db2.gz GGMASEFLNJRMOH-UHFFFAOYSA-N 2 2 346.478 3.056 20 0 EGADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc3c(F)cccc13)CC[NH2+]CC2 ZINC001165355258 1383281144 /nfs/dbraw/zinc/28/11/44/1383281144.db2.gz DGANVYOBSPADKS-UHFFFAOYSA-N 2 2 330.794 3.210 20 0 EGADLP C[C@H](CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)n1cc[nH+]c1 ZINC001167348765 1383606153 /nfs/dbraw/zinc/60/61/53/1383606153.db2.gz UIGRVVCNJARLPC-QGZVFWFLSA-N 2 2 344.503 3.211 20 0 EGADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001167349783 1383606637 /nfs/dbraw/zinc/60/66/37/1383606637.db2.gz GJPOCIQHOGPZLP-HNNXBMFYSA-N 2 2 342.487 3.107 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167426072 1383630825 /nfs/dbraw/zinc/63/08/25/1383630825.db2.gz PBTQXQLRPZLFAI-INIZCTEOSA-N 2 2 334.508 3.045 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167426072 1383630829 /nfs/dbraw/zinc/63/08/29/1383630829.db2.gz PBTQXQLRPZLFAI-INIZCTEOSA-N 2 2 334.508 3.045 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001167429742 1383631789 /nfs/dbraw/zinc/63/17/89/1383631789.db2.gz WUODLSDBKBXTCB-KRWDZBQOSA-N 2 2 342.487 3.254 20 0 EGADLP Nc1cc(CNc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cc[nH+]1 ZINC001167616837 1383689733 /nfs/dbraw/zinc/68/97/33/1383689733.db2.gz ASTHNGSISNPUTR-UHFFFAOYSA-N 2 2 335.455 3.396 20 0 EGADLP CC[NH+](CC)CCC[C@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001167834737 1383752981 /nfs/dbraw/zinc/75/29/81/1383752981.db2.gz MPFJVCLMRZSHEZ-KRWDZBQOSA-N 3 2 348.535 3.159 20 0 EGADLP FC1(F)CC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940833 1383774385 /nfs/dbraw/zinc/77/43/85/1383774385.db2.gz NBUTVWITRIPNGT-KCITZHQASA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001167940833 1383774389 /nfs/dbraw/zinc/77/43/89/1383774389.db2.gz NBUTVWITRIPNGT-KCITZHQASA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001167940833 1383774392 /nfs/dbraw/zinc/77/43/92/1383774392.db2.gz NBUTVWITRIPNGT-KCITZHQASA-N 2 2 347.453 3.413 20 0 EGADLP FC1(F)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001167940833 1383774394 /nfs/dbraw/zinc/77/43/94/1383774394.db2.gz NBUTVWITRIPNGT-KCITZHQASA-N 2 2 347.453 3.413 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168009174 1383795528 /nfs/dbraw/zinc/79/55/28/1383795528.db2.gz HHOKUGKCPFNHEU-IRXDYDNUSA-N 3 2 326.488 3.223 20 0 EGADLP Cc1[nH+]cn(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1CC[NH3+] ZINC001168011917 1383797112 /nfs/dbraw/zinc/79/71/12/1383797112.db2.gz UHYKNQKVDADKAD-HOTGVXAUSA-N 3 2 326.488 3.307 20 0 EGADLP C[C@H]1CC([NH+]2CCC3(CC2)OCCO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045765 1383804441 /nfs/dbraw/zinc/80/44/41/1383804441.db2.gz KFDOHPSZUVIZEW-ROUUACIJSA-N 2 2 344.499 3.267 20 0 EGADLP Fc1ccc2c(c1)CC[C@@H](N(c1cccc[nH+]1)C1CC[NH2+]CC1)C2 ZINC001168446997 1383907933 /nfs/dbraw/zinc/90/79/33/1383907933.db2.gz UPDIZRZXWKYGRR-LJQANCHMSA-N 2 2 325.431 3.337 20 0 EGADLP CCCCCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168475597 1383916724 /nfs/dbraw/zinc/91/67/24/1383916724.db2.gz OHFXEOUOYRYRGX-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2cc(F)ccc2C)CC1 ZINC001307418622 1383986922 /nfs/dbraw/zinc/98/69/22/1383986922.db2.gz YOVRMFCRJLKBDJ-UHFFFAOYSA-N 2 2 335.467 3.269 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(F)cc(F)c2-c2ccccc2)CC1 ZINC001168746210 1383989843 /nfs/dbraw/zinc/98/98/43/1383989843.db2.gz FSCLDLAGYMMYLU-UHFFFAOYSA-N 2 2 330.382 3.226 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC001308179732 1384106051 /nfs/dbraw/zinc/10/60/51/1384106051.db2.gz FOOOMJSJCSQWHW-GOSISDBHSA-N 2 2 332.879 3.194 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169101237 1384107277 /nfs/dbraw/zinc/10/72/77/1384107277.db2.gz PSISEJRQDOKJQH-QDMKHBRRSA-N 2 2 339.277 3.173 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169101237 1384107279 /nfs/dbraw/zinc/10/72/79/1384107279.db2.gz PSISEJRQDOKJQH-QDMKHBRRSA-N 2 2 339.277 3.173 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102302 1384107329 /nfs/dbraw/zinc/10/73/29/1384107329.db2.gz ZEGFOUMYSKRXFV-DMSXTEQDSA-N 2 2 337.467 3.382 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc2ccccc2c1 ZINC001169102302 1384107332 /nfs/dbraw/zinc/10/73/32/1384107332.db2.gz ZEGFOUMYSKRXFV-DMSXTEQDSA-N 2 2 337.467 3.382 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COc3ccc(Br)cc31)C2 ZINC001169099580 1384107386 /nfs/dbraw/zinc/10/73/86/1384107386.db2.gz BZEJGNZHQWWGOV-GUIRCDHDSA-N 2 2 337.261 3.097 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COc3ccc(Br)cc31)C2 ZINC001169099580 1384107388 /nfs/dbraw/zinc/10/73/88/1384107388.db2.gz BZEJGNZHQWWGOV-GUIRCDHDSA-N 2 2 337.261 3.097 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC001308218187 1384109845 /nfs/dbraw/zinc/10/98/45/1384109845.db2.gz WUOCBXRGPNOZTA-QGZVFWFLSA-N 2 2 327.476 3.083 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001169123792 1384110463 /nfs/dbraw/zinc/11/04/63/1384110463.db2.gz MWYSDVIXFNRIQL-ZWUHOBOKSA-N 2 2 329.271 3.242 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1)C2 ZINC001169123792 1384110466 /nfs/dbraw/zinc/11/04/66/1384110466.db2.gz MWYSDVIXFNRIQL-ZWUHOBOKSA-N 2 2 329.271 3.242 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H](C3CCC3)C(F)(F)F)c2)C1 ZINC001169287808 1384132224 /nfs/dbraw/zinc/13/22/24/1384132224.db2.gz OCTNSZYVVGONGF-ZBFHGGJFSA-N 2 2 327.394 3.363 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H](C3CCC3)C(F)(F)F)c2)C1 ZINC001169287808 1384132225 /nfs/dbraw/zinc/13/22/25/1384132225.db2.gz OCTNSZYVVGONGF-ZBFHGGJFSA-N 2 2 327.394 3.363 20 0 EGADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H](C)C(C)C ZINC001308591988 1384135247 /nfs/dbraw/zinc/13/52/47/1384135247.db2.gz NWGCRQYRVXCKHT-GOSISDBHSA-N 2 2 334.504 3.264 20 0 EGADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H](C)C(C)C ZINC001308591988 1384135249 /nfs/dbraw/zinc/13/52/49/1384135249.db2.gz NWGCRQYRVXCKHT-GOSISDBHSA-N 2 2 334.504 3.264 20 0 EGADLP CCOC(=O)N1CCC[C@@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001169671954 1384171389 /nfs/dbraw/zinc/17/13/89/1384171389.db2.gz KDRZHISWISBVRB-QGZVFWFLSA-N 2 2 342.443 3.192 20 0 EGADLP O=C1Cc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2N1 ZINC001170330410 1384293063 /nfs/dbraw/zinc/29/30/63/1384293063.db2.gz MHWVDCLVHXESGJ-NNZMDNLPSA-N 2 2 348.450 3.184 20 0 EGADLP O=C1Cc2c[nH+]c(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2N1 ZINC001170330410 1384293065 /nfs/dbraw/zinc/29/30/65/1384293065.db2.gz MHWVDCLVHXESGJ-NNZMDNLPSA-N 2 2 348.450 3.184 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001170782666 1384383961 /nfs/dbraw/zinc/38/39/61/1384383961.db2.gz BANIUFXCZKYCNK-INIZCTEOSA-N 2 2 342.487 3.487 20 0 EGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C3CCOCC3)C1)CC2 ZINC001170910944 1384409497 /nfs/dbraw/zinc/40/94/97/1384409497.db2.gz RKKNYPUMKSPGJU-CVEARBPZSA-N 2 2 334.891 3.040 20 0 EGADLP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](C3CCOCC3)C1)CC2 ZINC001170910944 1384409500 /nfs/dbraw/zinc/40/95/00/1384409500.db2.gz RKKNYPUMKSPGJU-CVEARBPZSA-N 2 2 334.891 3.040 20 0 EGADLP Fc1cccc2c1C[C@H](N(c1cc[nH+]cc1F)C1CC[NH2+]CC1)CC2 ZINC001171013249 1384429659 /nfs/dbraw/zinc/42/96/59/1384429659.db2.gz SCDIGARRFLLEPZ-MRXNPFEDSA-N 2 2 343.421 3.476 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001171317112 1384493447 /nfs/dbraw/zinc/49/34/47/1384493447.db2.gz SECCUBASBXXBIF-CYBMUJFWSA-N 2 2 332.831 3.270 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359742 1384501874 /nfs/dbraw/zinc/50/18/74/1384501874.db2.gz UKGZQKNFEWGCQI-DZEIUGAOSA-N 2 2 332.492 3.134 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359742 1384501877 /nfs/dbraw/zinc/50/18/77/1384501877.db2.gz UKGZQKNFEWGCQI-DZEIUGAOSA-N 2 2 332.492 3.134 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC2CCCC2)c[nH+]1 ZINC001171474451 1384532971 /nfs/dbraw/zinc/53/29/71/1384532971.db2.gz BSIMFFPYKIARNW-MRXNPFEDSA-N 2 2 348.535 3.381 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171576496 1384568405 /nfs/dbraw/zinc/56/84/05/1384568405.db2.gz AGAZRHBSQYAPSH-WYIDIVSCSA-N 2 2 346.519 3.066 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172064045 1384715312 /nfs/dbraw/zinc/71/53/12/1384715312.db2.gz DWQHORMUPZYNDN-MZADTFQBSA-N 3 2 327.516 3.256 20 0 EGADLP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064045 1384715314 /nfs/dbraw/zinc/71/53/14/1384715314.db2.gz DWQHORMUPZYNDN-MZADTFQBSA-N 3 2 327.516 3.256 20 0 EGADLP CC(C)[NH+]1CC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064789 1384716900 /nfs/dbraw/zinc/71/69/00/1384716900.db2.gz JRMZYBZOSBCAOZ-NUZGMZIFSA-N 2 2 327.516 3.254 20 0 EGADLP CC(C)[NH+]1CC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064789 1384716904 /nfs/dbraw/zinc/71/69/04/1384716904.db2.gz JRMZYBZOSBCAOZ-NUZGMZIFSA-N 2 2 327.516 3.254 20 0 EGADLP CC(C)N1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172064789 1384716906 /nfs/dbraw/zinc/71/69/06/1384716906.db2.gz JRMZYBZOSBCAOZ-NUZGMZIFSA-N 2 2 327.516 3.254 20 0 EGADLP CC(C)N1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172064789 1384716910 /nfs/dbraw/zinc/71/69/10/1384716910.db2.gz JRMZYBZOSBCAOZ-NUZGMZIFSA-N 2 2 327.516 3.254 20 0 EGADLP FC1(F)C[NH2+]CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069930 1384718217 /nfs/dbraw/zinc/71/82/17/1384718217.db2.gz VZSZVFYRNDHVIR-BWTSREIZSA-N 2 2 349.469 3.113 20 0 EGADLP FC1(F)C[NH2+]CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069930 1384718220 /nfs/dbraw/zinc/71/82/20/1384718220.db2.gz VZSZVFYRNDHVIR-BWTSREIZSA-N 2 2 349.469 3.113 20 0 EGADLP C[N@@H+]1CC[C@H]2CN([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722911 /nfs/dbraw/zinc/72/29/11/1384722911.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 2 339.527 3.208 20 0 EGADLP C[N@H+]1CC[C@H]2CN([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722912 /nfs/dbraw/zinc/72/29/12/1384722912.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 2 339.527 3.208 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722916 /nfs/dbraw/zinc/72/29/16/1384722916.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 2 339.527 3.208 20 0 EGADLP C[NH+]1CC[C@H]2CN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001172084362 1384722918 /nfs/dbraw/zinc/72/29/18/1384722918.db2.gz WVLJRJSMBYQJJO-VNXMGFANSA-N 2 2 339.527 3.208 20 0 EGADLP [NH3+][C@H](c1ccccc1)[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC001172145514 1384738786 /nfs/dbraw/zinc/73/87/86/1384738786.db2.gz GTGZQEYYPIJQNM-YVNJGZBMSA-N 2 2 349.478 3.171 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H]2CCOc3ccc(Cl)cc32)CC1 ZINC001172248809 1384755693 /nfs/dbraw/zinc/75/56/93/1384755693.db2.gz AZMFINCWYXHGOK-KRWDZBQOSA-N 2 2 338.879 3.254 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172329985 1384771430 /nfs/dbraw/zinc/77/14/30/1384771430.db2.gz JSOKXLHXLFYIJZ-QGZVKYPTSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001172329985 1384771431 /nfs/dbraw/zinc/77/14/31/1384771431.db2.gz JSOKXLHXLFYIJZ-QGZVKYPTSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172329985 1384771435 /nfs/dbraw/zinc/77/14/35/1384771435.db2.gz JSOKXLHXLFYIJZ-QGZVKYPTSA-N 2 2 331.504 3.039 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001172329985 1384771437 /nfs/dbraw/zinc/77/14/37/1384771437.db2.gz JSOKXLHXLFYIJZ-QGZVKYPTSA-N 2 2 331.504 3.039 20 0 EGADLP CC(C)OCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172435260 1384791234 /nfs/dbraw/zinc/79/12/34/1384791234.db2.gz DSOHONUJKHKCGV-DOMZBBRYSA-N 2 2 329.282 3.242 20 0 EGADLP CC(C)OCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172453832 1384795590 /nfs/dbraw/zinc/79/55/90/1384795590.db2.gz ZITBAPIXGWUALQ-IAGOWNOFSA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001172453832 1384795592 /nfs/dbraw/zinc/79/55/92/1384795592.db2.gz ZITBAPIXGWUALQ-IAGOWNOFSA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001172453832 1384795594 /nfs/dbraw/zinc/79/55/94/1384795594.db2.gz ZITBAPIXGWUALQ-IAGOWNOFSA-N 2 2 336.524 3.304 20 0 EGADLP CC(C)OCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001172453832 1384795597 /nfs/dbraw/zinc/79/55/97/1384795597.db2.gz ZITBAPIXGWUALQ-IAGOWNOFSA-N 2 2 336.524 3.304 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607547 1384818315 /nfs/dbraw/zinc/81/83/15/1384818315.db2.gz ASZGPPNDDIBCFI-ICSRJNTNSA-N 2 2 344.499 3.315 20 0 EGADLP COC(=O)[C@H]1CCC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172607547 1384818317 /nfs/dbraw/zinc/81/83/17/1384818317.db2.gz ASZGPPNDDIBCFI-ICSRJNTNSA-N 2 2 344.499 3.315 20 0 EGADLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CCC(=O)OC(C)C)CC1 ZINC001172754133 1384844392 /nfs/dbraw/zinc/84/43/92/1384844392.db2.gz WURBFWZHRSKEMT-INIZCTEOSA-N 2 2 348.487 3.065 20 0 EGADLP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)CCC(=O)OC(C)C)CC2)c1 ZINC001172754948 1384844452 /nfs/dbraw/zinc/84/44/52/1384844452.db2.gz ZRHKZGWMBCPSTP-MRXNPFEDSA-N 2 2 348.487 3.065 20 0 EGADLP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172761328 1384846049 /nfs/dbraw/zinc/84/60/49/1384846049.db2.gz QVHWEHLSLXXPQI-QUCCMNQESA-N 2 2 346.515 3.403 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829147 1384860085 /nfs/dbraw/zinc/86/00/85/1384860085.db2.gz ATJOUIBVXDSCGU-ZRBLBEILSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829147 1384860089 /nfs/dbraw/zinc/86/00/89/1384860089.db2.gz ATJOUIBVXDSCGU-ZRBLBEILSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829147 1384860094 /nfs/dbraw/zinc/86/00/94/1384860094.db2.gz ATJOUIBVXDSCGU-ZRBLBEILSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829147 1384860097 /nfs/dbraw/zinc/86/00/97/1384860097.db2.gz ATJOUIBVXDSCGU-ZRBLBEILSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835761 1384861551 /nfs/dbraw/zinc/86/15/51/1384861551.db2.gz XRXOKIWNIGFZCG-FUPPJEDESA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835761 1384861554 /nfs/dbraw/zinc/86/15/54/1384861554.db2.gz XRXOKIWNIGFZCG-FUPPJEDESA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835761 1384861558 /nfs/dbraw/zinc/86/15/58/1384861558.db2.gz XRXOKIWNIGFZCG-FUPPJEDESA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835761 1384861559 /nfs/dbraw/zinc/86/15/59/1384861559.db2.gz XRXOKIWNIGFZCG-FUPPJEDESA-N 2 2 347.506 3.311 20 0 EGADLP CC[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281256 1384950690 /nfs/dbraw/zinc/95/06/90/1384950690.db2.gz RQBWALZDIFWHFN-HKUYNNGSSA-N 2 2 330.520 3.429 20 0 EGADLP CC[C@H]1CC[C@H]([NH+]2CCC3(CCC[N@H+]3Cc3ccn(C)n3)CC2)C1 ZINC001173281256 1384950710 /nfs/dbraw/zinc/95/07/10/1384950710.db2.gz RQBWALZDIFWHFN-HKUYNNGSSA-N 2 2 330.520 3.429 20 0 EGADLP CC(=O)Oc1ccc(C2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC001173778712 1385016226 /nfs/dbraw/zinc/01/62/26/1385016226.db2.gz BBZNDRRZIASAMU-UHFFFAOYSA-N 2 2 330.472 3.324 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)[C@@H](C)c3ccccc3)ccn12 ZINC001317446156 1385146499 /nfs/dbraw/zinc/14/64/99/1385146499.db2.gz WZIQINHPSQJNAM-INIZCTEOSA-N 2 2 336.439 3.066 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)[C@@H](C)c3ccccc3)ccn12 ZINC001317446156 1385146500 /nfs/dbraw/zinc/14/65/00/1385146500.db2.gz WZIQINHPSQJNAM-INIZCTEOSA-N 2 2 336.439 3.066 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175209795 1385221484 /nfs/dbraw/zinc/22/14/84/1385221484.db2.gz LWHKDULAZYWTNT-HOTGVXAUSA-N 2 2 332.492 3.060 20 0 EGADLP C[C@@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462232 1385299140 /nfs/dbraw/zinc/29/91/40/1385299140.db2.gz SLUMAKKHYBMIFM-AWEZNQCLSA-N 2 2 348.878 3.070 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175479716 1385306715 /nfs/dbraw/zinc/30/67/15/1385306715.db2.gz SNTZSFSGYWNGQV-DLBZAZTESA-N 2 2 342.487 3.286 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3[nH+]cccc3N(C)C)cc2)CC1 ZINC001175782634 1385404363 /nfs/dbraw/zinc/40/43/63/1385404363.db2.gz SXPOXFFHOUEYCF-UHFFFAOYSA-N 2 2 325.460 3.033 20 0 EGADLP COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175860860 1385424688 /nfs/dbraw/zinc/42/46/88/1385424688.db2.gz CPLYSRYNIYFSFV-QGZVFWFLSA-N 2 2 341.455 3.346 20 0 EGADLP COC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175860860 1385424691 /nfs/dbraw/zinc/42/46/91/1385424691.db2.gz CPLYSRYNIYFSFV-QGZVFWFLSA-N 2 2 341.455 3.346 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1CCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175873418 1385426928 /nfs/dbraw/zinc/42/69/28/1385426928.db2.gz KOECLQZLDCZVNP-MRXNPFEDSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881245 1385429086 /nfs/dbraw/zinc/42/90/86/1385429086.db2.gz MCWPJWUPWGBGBM-MRXNPFEDSA-N 2 2 332.492 3.107 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCc1c[nH+]cn1C ZINC001176393190 1385574756 /nfs/dbraw/zinc/57/47/56/1385574756.db2.gz NTIFCIOMCGUPEI-KRWDZBQOSA-N 2 2 348.535 3.198 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CC(C)(C)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001176810934 1385710216 /nfs/dbraw/zinc/71/02/16/1385710216.db2.gz SIKNHHAHVJGELP-QGZVFWFLSA-N 2 2 348.535 3.364 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC001318491917 1385721861 /nfs/dbraw/zinc/72/18/61/1385721861.db2.gz WFFYQKXMQDYCIZ-CQSZACIVSA-N 2 2 348.406 3.423 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177339629 1385919690 /nfs/dbraw/zinc/91/96/90/1385919690.db2.gz MEXGVSOVGPGNPI-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177339629 1385919693 /nfs/dbraw/zinc/91/96/93/1385919693.db2.gz MEXGVSOVGPGNPI-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CCCn2cc[nH+]c2)c1 ZINC001177351775 1385925349 /nfs/dbraw/zinc/92/53/49/1385925349.db2.gz QNPXMTGFTLFCCL-SFHVURJKSA-N 2 2 342.487 3.137 20 0 EGADLP O=C(CCn1cc[nH+]c1)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177379188 1385935613 /nfs/dbraw/zinc/93/56/13/1385935613.db2.gz VLTCKMCMXNQADE-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CC1CC(C[NH2+]C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C2CCCCC2)C1 ZINC001319654421 1386235449 /nfs/dbraw/zinc/23/54/49/1386235449.db2.gz FLIRBMMNHGDHIB-LADRWXRNSA-N 2 2 346.519 3.043 20 0 EGADLP CC1CC(C[NH2+]C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C2CCCCC2)C1 ZINC001319654421 1386235456 /nfs/dbraw/zinc/23/54/56/1386235456.db2.gz FLIRBMMNHGDHIB-LADRWXRNSA-N 2 2 346.519 3.043 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752495 1386294061 /nfs/dbraw/zinc/29/40/61/1386294061.db2.gz SGHFMTRPAAIDJU-IAGOWNOFSA-N 2 2 334.508 3.216 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752495 1386294063 /nfs/dbraw/zinc/29/40/63/1386294063.db2.gz SGHFMTRPAAIDJU-IAGOWNOFSA-N 2 2 334.508 3.216 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178865053 1386333009 /nfs/dbraw/zinc/33/30/09/1386333009.db2.gz NYKNHSYYNIJSDA-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178872805 1386335885 /nfs/dbraw/zinc/33/58/85/1386335885.db2.gz UKRWYRTXESQZIH-QGZVFWFLSA-N 2 2 348.535 3.148 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC001179009549 1386375462 /nfs/dbraw/zinc/37/54/62/1386375462.db2.gz KKZQCUDLBJFVJI-MRXNPFEDSA-N 2 2 330.476 3.260 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(OCC(F)F)ccn2)CC1 ZINC001320161971 1386542122 /nfs/dbraw/zinc/54/21/22/1386542122.db2.gz UMFYOHHLPQOVMH-UHFFFAOYSA-N 2 2 327.419 3.078 20 0 EGADLP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001320379998 1386593657 /nfs/dbraw/zinc/59/36/57/1386593657.db2.gz ITGWHWXZXGQPOE-NSHDSACASA-N 2 2 338.415 3.048 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001179907086 1386624769 /nfs/dbraw/zinc/62/47/69/1386624769.db2.gz VKYRKPKGBSIKLU-ZWKOTPCHSA-N 2 2 348.535 3.435 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC001321400068 1386894119 /nfs/dbraw/zinc/89/41/19/1386894119.db2.gz PSDSOEHAMBDJFB-MRXNPFEDSA-N 2 2 346.390 3.275 20 0 EGADLP Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]c2ccccc12 ZINC001321955824 1387017442 /nfs/dbraw/zinc/01/74/42/1387017442.db2.gz IVLLXYVMEFTXDV-INIZCTEOSA-N 2 2 325.456 3.456 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001336754193 1389157409 /nfs/dbraw/zinc/15/74/09/1389157409.db2.gz CFACODZOGVAUIN-CVEARBPZSA-N 2 2 339.842 3.414 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC001330883061 1389553767 /nfs/dbraw/zinc/55/37/67/1389553767.db2.gz NBMMOJCHXOXGRA-WMZOPIPTSA-N 2 2 346.519 3.073 20 0 EGADLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001334219048 1390500623 /nfs/dbraw/zinc/50/06/23/1390500623.db2.gz YNIPOYBWCWNPGN-KRWDZBQOSA-N 2 2 329.492 3.269 20 0 EGADLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001334219048 1390500625 /nfs/dbraw/zinc/50/06/25/1390500625.db2.gz YNIPOYBWCWNPGN-KRWDZBQOSA-N 2 2 329.492 3.269 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC001334355753 1390524247 /nfs/dbraw/zinc/52/42/47/1390524247.db2.gz QFKRALGEFDJFCA-RBUKOAKNSA-N 2 2 327.472 3.142 20 0 EGADLP O=C(Nc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1)C1CC1 ZINC001334355753 1390524249 /nfs/dbraw/zinc/52/42/49/1390524249.db2.gz QFKRALGEFDJFCA-RBUKOAKNSA-N 2 2 327.472 3.142 20 0 EGADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F ZINC001348516648 1391231112 /nfs/dbraw/zinc/23/11/12/1391231112.db2.gz VONSSYNWVATYRY-UHFFFAOYSA-N 2 2 338.345 3.497 20 0 EGADLP O=C(NC[C@@H]([NH2+]CCC1CC1)c1ccccc1)c1cccc2[nH+]ccn21 ZINC001481367941 1394207797 /nfs/dbraw/zinc/20/77/97/1394207797.db2.gz DBGSPQKIFFABDJ-GOSISDBHSA-N 2 2 348.450 3.195 20 0 EGADLP CC(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001698946733 1406686736 /nfs/dbraw/zinc/68/67/36/1406686736.db2.gz QCQJSXINLHPSPI-KDOFPFPSSA-N 2 2 328.460 3.049 20 0 EGADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+][C@H](C)c1ccccc1 ZINC001481831707 1394550009 /nfs/dbraw/zinc/55/00/09/1394550009.db2.gz BZFZORRNRGBKQC-NVXWUHKLSA-N 2 2 336.439 3.194 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001483972039 1395169883 /nfs/dbraw/zinc/16/98/83/1395169883.db2.gz OPBWFXKHOLJFBI-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001483972039 1395169886 /nfs/dbraw/zinc/16/98/86/1395169886.db2.gz OPBWFXKHOLJFBI-INIZCTEOSA-N 2 2 346.519 3.139 20 0 EGADLP CCCC[C@H](C[NH2+]CC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485465683 1395940748 /nfs/dbraw/zinc/94/07/48/1395940748.db2.gz MCGAWDZURSZNNP-MRXNPFEDSA-N 2 2 328.460 3.241 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001491964454 1396301210 /nfs/dbraw/zinc/30/12/10/1396301210.db2.gz ZBBZEPQZOMYPTF-INIZCTEOSA-N 2 2 334.508 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001491964454 1396301211 /nfs/dbraw/zinc/30/12/11/1396301211.db2.gz ZBBZEPQZOMYPTF-INIZCTEOSA-N 2 2 334.508 3.010 20 0 EGADLP C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001689902932 1404196477 /nfs/dbraw/zinc/19/64/77/1404196477.db2.gz OXWGGVQLCFOWOY-UHONWTQSSA-N 2 2 346.862 3.288 20 0 EGADLP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001690605153 1404648351 /nfs/dbraw/zinc/64/83/51/1404648351.db2.gz ZJRWKGVBBWQWSZ-INIZCTEOSA-N 2 2 339.483 3.477 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001690641670 1404673494 /nfs/dbraw/zinc/67/34/94/1404673494.db2.gz OLHHDVUNTPEOCQ-ODIFPOPNSA-N 2 2 348.535 3.207 20 0 EGADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1CCCCC1 ZINC001690848561 1404774813 /nfs/dbraw/zinc/77/48/13/1404774813.db2.gz FGZQAMSLXVXLGV-AWEZNQCLSA-N 2 2 328.460 3.241 20 0 EGADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1ccc(Cl)cc1 ZINC001691050399 1404966331 /nfs/dbraw/zinc/96/63/31/1404966331.db2.gz SCDQAUYTSMOSFI-AWEZNQCLSA-N 2 2 348.878 3.113 20 0 EGADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1ccc(Cl)cc1 ZINC001691050399 1404966336 /nfs/dbraw/zinc/96/63/36/1404966336.db2.gz SCDQAUYTSMOSFI-AWEZNQCLSA-N 2 2 348.878 3.113 20 0 EGADLP C[C@H](CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1)n1cc[nH+]c1 ZINC001691495747 1405303498 /nfs/dbraw/zinc/30/34/98/1405303498.db2.gz WDPYBONKUAHQRA-CABCVRRESA-N 2 2 348.878 3.297 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NC1C[NH+](C[C@@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115665 1428368262 /nfs/dbraw/zinc/36/82/62/1428368262.db2.gz SBZHWYUECGTPQL-FXAWDEMLSA-N 2 2 345.531 3.162 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NC1C[NH+](C[C@@H](C)CC(C)C)C1)c1ccccc1 ZINC001732115665 1428368265 /nfs/dbraw/zinc/36/82/65/1428368265.db2.gz SBZHWYUECGTPQL-FXAWDEMLSA-N 2 2 345.531 3.162 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001700765735 1414440152 /nfs/dbraw/zinc/44/01/52/1414440152.db2.gz BOGOVZGWZQALTL-HOTGVXAUSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)c1 ZINC001700994917 1414642304 /nfs/dbraw/zinc/64/23/04/1414642304.db2.gz MPJNJDFVWBZEBZ-NVXWUHKLSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001700995373 1414643608 /nfs/dbraw/zinc/64/36/08/1414643608.db2.gz PCWDIVPSJFSDHM-NVXWUHKLSA-N 2 2 342.487 3.142 20 0 EGADLP CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001732731221 1428933106 /nfs/dbraw/zinc/93/31/06/1428933106.db2.gz DXDXQISGVNUXRP-GUYCJALGSA-N 2 2 348.878 3.241 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC(C)C)ccn12 ZINC001732996441 1429119776 /nfs/dbraw/zinc/11/97/76/1429119776.db2.gz KXPDXLRXQYOSOJ-GJZGRUSLSA-N 2 2 330.476 3.033 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)c1 ZINC001733005410 1429126036 /nfs/dbraw/zinc/12/60/36/1429126036.db2.gz OEBYXFYZZXBTTA-JKSUJKDBSA-N 2 2 336.439 3.112 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145710 1418949707 /nfs/dbraw/zinc/94/97/07/1418949707.db2.gz RFMOSTVUPUEBJZ-RBUKOAKNSA-N 2 2 346.519 3.309 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001714145710 1418949709 /nfs/dbraw/zinc/94/97/09/1418949709.db2.gz RFMOSTVUPUEBJZ-RBUKOAKNSA-N 2 2 346.519 3.309 20 0 EGADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1cccc(Cl)c1 ZINC001714596586 1419349076 /nfs/dbraw/zinc/34/90/76/1419349076.db2.gz JXURNXIVINFCGF-AWEZNQCLSA-N 2 2 348.878 3.113 20 0 EGADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1cccc(Cl)c1 ZINC001714596586 1419349080 /nfs/dbraw/zinc/34/90/80/1419349080.db2.gz JXURNXIVINFCGF-AWEZNQCLSA-N 2 2 348.878 3.113 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001714924124 1419677579 /nfs/dbraw/zinc/67/75/79/1419677579.db2.gz XQWWBLCCYRKTAX-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001714924124 1419677581 /nfs/dbraw/zinc/67/75/81/1419677581.db2.gz XQWWBLCCYRKTAX-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1)c1ccccc1Cl ZINC001716008231 1420461839 /nfs/dbraw/zinc/46/18/39/1420461839.db2.gz AGHKQRQFOWGXMK-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001716146377 1420541592 /nfs/dbraw/zinc/54/15/92/1420541592.db2.gz ZSAJPUYEIUZBHX-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001716146377 1420541595 /nfs/dbraw/zinc/54/15/95/1420541595.db2.gz ZSAJPUYEIUZBHX-ZIAGYGMSSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCC1 ZINC001717338987 1421276369 /nfs/dbraw/zinc/27/63/69/1421276369.db2.gz HPKDTROMSXWANA-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCC1CCC1 ZINC001717338987 1421276371 /nfs/dbraw/zinc/27/63/71/1421276371.db2.gz HPKDTROMSXWANA-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001724013095 1424626289 /nfs/dbraw/zinc/62/62/89/1424626289.db2.gz BICDXRCXZIXEEP-KRWDZBQOSA-N 2 2 340.471 3.005 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001724301466 1424784867 /nfs/dbraw/zinc/78/48/67/1424784867.db2.gz BGQGDVKBXFDFCX-UHFFFAOYSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC1CCCCCC1 ZINC001725001341 1425411056 /nfs/dbraw/zinc/41/10/56/1425411056.db2.gz HHZBLIZMZPIDAR-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CC1CCCCCC1 ZINC001725001341 1425411061 /nfs/dbraw/zinc/41/10/61/1425411061.db2.gz HHZBLIZMZPIDAR-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242928 1425853801 /nfs/dbraw/zinc/85/38/01/1425853801.db2.gz WQNUKMUCYOXNME-QZTJIDSGSA-N 2 2 348.535 3.006 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001725242928 1425853805 /nfs/dbraw/zinc/85/38/05/1425853805.db2.gz WQNUKMUCYOXNME-QZTJIDSGSA-N 2 2 348.535 3.006 20 0 EGADLP CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(F)(F)C1 ZINC001731807201 1427981461 /nfs/dbraw/zinc/98/14/61/1427981461.db2.gz YBBSDQLMQNBNJM-UHFFFAOYSA-N 2 2 339.430 3.104 20 0 EGADLP CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)CC1CC(F)(F)C1 ZINC001731807201 1427981463 /nfs/dbraw/zinc/98/14/63/1427981463.db2.gz YBBSDQLMQNBNJM-UHFFFAOYSA-N 2 2 339.430 3.104 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001733937894 1437752815 /nfs/dbraw/zinc/75/28/15/1437752815.db2.gz DFEPPFUTAVBUNH-SFHVURJKSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC(C)(C)C ZINC001733937894 1437752817 /nfs/dbraw/zinc/75/28/17/1437752817.db2.gz DFEPPFUTAVBUNH-SFHVURJKSA-N 2 2 348.535 3.102 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464453 1438120619 /nfs/dbraw/zinc/12/06/19/1438120619.db2.gz XYKUYAZLNSNIIP-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464453 1438120622 /nfs/dbraw/zinc/12/06/22/1438120622.db2.gz XYKUYAZLNSNIIP-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCCC1CCCC1 ZINC001734464453 1438120625 /nfs/dbraw/zinc/12/06/25/1438120625.db2.gz XYKUYAZLNSNIIP-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCCC1CCCC1 ZINC001734464453 1438120626 /nfs/dbraw/zinc/12/06/26/1438120626.db2.gz XYKUYAZLNSNIIP-QFBILLFUSA-N 2 2 346.519 3.282 20 0 EGADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001734476660 1438125465 /nfs/dbraw/zinc/12/54/65/1438125465.db2.gz HICKELGZFFUTBK-RTBURBONSA-N 2 2 346.519 3.118 20 0 EGADLP CCC[C@@H](C)C(=O)NCC1([NH2+]CC)CC[NH+](Cc2ccccc2)CC1 ZINC001734587632 1438177429 /nfs/dbraw/zinc/17/74/29/1438177429.db2.gz NHAZKXDRPRCZKL-GOSISDBHSA-N 2 2 345.531 3.183 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752528211 1440193668 /nfs/dbraw/zinc/19/36/68/1440193668.db2.gz QSHPVEOFNIRZKF-QGZVFWFLSA-N 2 2 348.535 3.294 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001752528211 1440193669 /nfs/dbraw/zinc/19/36/69/1440193669.db2.gz QSHPVEOFNIRZKF-QGZVFWFLSA-N 2 2 348.535 3.294 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752973999 1440255646 /nfs/dbraw/zinc/25/56/46/1440255646.db2.gz PBQVCFUDCKKGQW-DLBZAZTESA-N 2 2 342.487 3.401 20 0 EGADLP CC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CC1=CCCCC1 ZINC001753083118 1440294878 /nfs/dbraw/zinc/29/48/78/1440294878.db2.gz UYADBXRTHWXKTO-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)CC1=CCCCC1 ZINC001753083118 1440294879 /nfs/dbraw/zinc/29/48/79/1440294879.db2.gz UYADBXRTHWXKTO-UHFFFAOYSA-N 2 2 340.471 3.195 20 0 EGADLP CC[C@@H](C)C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001753289580 1440349707 /nfs/dbraw/zinc/34/97/07/1440349707.db2.gz MKZZHMYZHGRYOI-MRXNPFEDSA-N 2 2 330.476 3.211 20 0 EGADLP CC[C@@H](C)C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001753289580 1440349708 /nfs/dbraw/zinc/34/97/08/1440349708.db2.gz MKZZHMYZHGRYOI-MRXNPFEDSA-N 2 2 330.476 3.211 20 0 EGADLP CCCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001753808462 1440492283 /nfs/dbraw/zinc/49/22/83/1440492283.db2.gz WEJPKXORXVSNRL-AEFFLSMTSA-N 2 2 347.503 3.040 20 0 EGADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCC(C)(C)C ZINC001753841127 1440502606 /nfs/dbraw/zinc/50/26/06/1440502606.db2.gz SRTPYSLKDAOYLQ-BRWVUGGUSA-N 2 2 348.535 3.080 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]CC2CCC(C)CC2)c[nH+]1 ZINC001754137676 1440543923 /nfs/dbraw/zinc/54/39/23/1440543923.db2.gz MGMUOPZPVGWVNE-AATRIKPKSA-N 2 2 346.519 3.015 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754231868 1440554265 /nfs/dbraw/zinc/55/42/65/1440554265.db2.gz TZLXZDVFJSGIEI-KUHUBIRLSA-N 2 2 348.450 3.348 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001754343407 1440589134 /nfs/dbraw/zinc/58/91/34/1440589134.db2.gz SYNXSQSIKJSMDJ-OCCSQVGLSA-N 2 2 348.878 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001754343407 1440589135 /nfs/dbraw/zinc/58/91/35/1440589135.db2.gz SYNXSQSIKJSMDJ-OCCSQVGLSA-N 2 2 348.878 3.112 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568385 1440636570 /nfs/dbraw/zinc/63/65/70/1440636570.db2.gz DGUVBNYURHDTNT-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001754568385 1440636571 /nfs/dbraw/zinc/63/65/71/1440636571.db2.gz DGUVBNYURHDTNT-FQEVSTJZSA-N 2 2 346.519 3.024 20 0 EGADLP C[C@@H](F)CC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001754649491 1440651482 /nfs/dbraw/zinc/65/14/82/1440651482.db2.gz DCXYTEKOKCKKOB-ACJLOTCBSA-N 2 2 346.450 3.189 20 0 EGADLP CCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754678247 1440661013 /nfs/dbraw/zinc/66/10/13/1440661013.db2.gz QGVDBAFJOCMRHO-FQEVSTJZSA-N 2 2 340.471 3.257 20 0 EGADLP CCCCC[N@H+]1CC[C@](C)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001754678247 1440661014 /nfs/dbraw/zinc/66/10/14/1440661014.db2.gz QGVDBAFJOCMRHO-FQEVSTJZSA-N 2 2 340.471 3.257 20 0 EGADLP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001754948939 1440714384 /nfs/dbraw/zinc/71/43/84/1440714384.db2.gz SFBJYFTUANHKIC-JKSUJKDBSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001754948939 1440714385 /nfs/dbraw/zinc/71/43/85/1440714385.db2.gz SFBJYFTUANHKIC-JKSUJKDBSA-N 2 2 342.487 3.211 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046606 1440741228 /nfs/dbraw/zinc/74/12/28/1440741228.db2.gz GEJXVYDNCMVVKV-MSOLQXFVSA-N 2 2 346.519 3.093 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001755046606 1440741229 /nfs/dbraw/zinc/74/12/29/1440741229.db2.gz GEJXVYDNCMVVKV-MSOLQXFVSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001755167287 1440767658 /nfs/dbraw/zinc/76/76/58/1440767658.db2.gz MJUVNKPJXWJPNK-GOEBONIOSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001755167287 1440767659 /nfs/dbraw/zinc/76/76/59/1440767659.db2.gz MJUVNKPJXWJPNK-GOEBONIOSA-N 2 2 334.508 3.056 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193981 1440775948 /nfs/dbraw/zinc/77/59/48/1440775948.db2.gz KKCLBMITYAIIGB-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001755193981 1440775949 /nfs/dbraw/zinc/77/59/49/1440775949.db2.gz KKCLBMITYAIIGB-QGZVFWFLSA-N 2 2 342.487 3.307 20 0 EGADLP C[C@H](CC(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001755218729 1440784342 /nfs/dbraw/zinc/78/43/42/1440784342.db2.gz WWXYEYPBZXIEFX-KLAILNCOSA-N 2 2 334.508 3.145 20 0 EGADLP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755317483 1440816406 /nfs/dbraw/zinc/81/64/06/1440816406.db2.gz BHMROXUWZRITRT-ROUUACIJSA-N 2 2 342.487 3.088 20 0 EGADLP Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001755317483 1440816407 /nfs/dbraw/zinc/81/64/07/1440816407.db2.gz BHMROXUWZRITRT-ROUUACIJSA-N 2 2 342.487 3.088 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)CC1CCCCCC1 ZINC001755327142 1440822220 /nfs/dbraw/zinc/82/22/20/1440822220.db2.gz BEVDBPGCXXWMCZ-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)CC1CCCCCC1 ZINC001755327142 1440822221 /nfs/dbraw/zinc/82/22/21/1440822221.db2.gz BEVDBPGCXXWMCZ-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCC1=CCCCC1 ZINC001755606537 1440885772 /nfs/dbraw/zinc/88/57/72/1440885772.db2.gz LKHHMRYWMNNNGC-IRXDYDNUSA-N 2 2 332.492 3.161 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC001755693882 1440897303 /nfs/dbraw/zinc/89/73/03/1440897303.db2.gz SHRBNOIPXLXAKF-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C)c1ccccc1 ZINC001755825935 1440927206 /nfs/dbraw/zinc/92/72/06/1440927206.db2.gz XBOBGIWEDHHHTO-CRAIPNDOSA-N 2 2 342.487 3.224 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C)c1ccccc1 ZINC001755825935 1440927207 /nfs/dbraw/zinc/92/72/07/1440927207.db2.gz XBOBGIWEDHHHTO-CRAIPNDOSA-N 2 2 342.487 3.224 20 0 EGADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001755850955 1440934924 /nfs/dbraw/zinc/93/49/24/1440934924.db2.gz PCAWJCXZEOETHF-KRWDZBQOSA-N 2 2 346.519 3.070 20 0 EGADLP CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001755860883 1440936692 /nfs/dbraw/zinc/93/66/92/1440936692.db2.gz YOHSPGHOPLRFGE-AATRIKPKSA-N 2 2 340.471 3.273 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530561 168369302 /nfs/dbraw/zinc/36/93/02/168369302.db2.gz NLRVELWZHQJGAW-UYAOXDASSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000368530561 168369303 /nfs/dbraw/zinc/36/93/03/168369303.db2.gz NLRVELWZHQJGAW-UYAOXDASSA-N 2 2 326.488 3.373 20 0 EGADLP C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000104098114 219347121 /nfs/dbraw/zinc/34/71/21/219347121.db2.gz XWOHPRXWJSDOTI-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000104098114 219347122 /nfs/dbraw/zinc/34/71/22/219347122.db2.gz XWOHPRXWJSDOTI-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000104098114 219347124 /nfs/dbraw/zinc/34/71/24/219347124.db2.gz XWOHPRXWJSDOTI-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000104098114 219347126 /nfs/dbraw/zinc/34/71/26/219347126.db2.gz XWOHPRXWJSDOTI-LBPRGKRZSA-N 2 2 344.286 3.206 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000181085996 234081809 /nfs/dbraw/zinc/08/18/09/234081809.db2.gz BMPJVTWWJMAXLG-OAHLLOKOSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000181085996 234081814 /nfs/dbraw/zinc/08/18/14/234081814.db2.gz BMPJVTWWJMAXLG-OAHLLOKOSA-N 2 2 325.416 3.325 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000187168988 236135827 /nfs/dbraw/zinc/13/58/27/236135827.db2.gz IDADZQBBSGGXHP-MRXNPFEDSA-N 2 2 336.439 3.380 20 0 EGADLP OCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000188010371 236380209 /nfs/dbraw/zinc/38/02/09/236380209.db2.gz QSJOBXOZYVYPND-QFBILLFUSA-N 2 2 336.907 3.445 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2)C1 ZINC000189874157 237344691 /nfs/dbraw/zinc/34/46/91/237344691.db2.gz YRRKSPFGVQSOAL-INIZCTEOSA-N 2 2 340.471 3.223 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2)C1 ZINC000189874157 237344700 /nfs/dbraw/zinc/34/47/00/237344700.db2.gz YRRKSPFGVQSOAL-INIZCTEOSA-N 2 2 340.471 3.223 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000072718226 216298133 /nfs/dbraw/zinc/29/81/33/216298133.db2.gz GBJGKHRORVVCCP-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000072718226 216298134 /nfs/dbraw/zinc/29/81/34/216298134.db2.gz GBJGKHRORVVCCP-RTBURBONSA-N 2 2 343.515 3.438 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859157 216318631 /nfs/dbraw/zinc/31/86/31/216318631.db2.gz VYVVGHFEGMESFJ-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859157 216318632 /nfs/dbraw/zinc/31/86/32/216318632.db2.gz VYVVGHFEGMESFJ-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859157 216318634 /nfs/dbraw/zinc/31/86/34/216318634.db2.gz VYVVGHFEGMESFJ-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000072859157 216318635 /nfs/dbraw/zinc/31/86/35/216318635.db2.gz VYVVGHFEGMESFJ-ICSRJNTNSA-N 2 2 343.515 3.014 20 0 EGADLP Fc1cc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1-n1cc[nH+]c1 ZINC000193993590 240392669 /nfs/dbraw/zinc/39/26/69/240392669.db2.gz NFCDEWNXTUOPFL-AYOQOUSVSA-N 2 2 341.430 3.449 20 0 EGADLP CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243488 220121973 /nfs/dbraw/zinc/12/19/73/220121973.db2.gz OIOGKTPSAAYGIE-CQSZACIVSA-N 2 2 344.484 3.269 20 0 EGADLP CC[N@@H+](Cc1cc(OC)ccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266604268 248380067 /nfs/dbraw/zinc/38/00/67/248380067.db2.gz XUAHCWYNMVUAKX-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP CC[N@H+](Cc1cc(OC)ccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266604268 248380070 /nfs/dbraw/zinc/38/00/70/248380070.db2.gz XUAHCWYNMVUAKX-UHFFFAOYSA-N 2 2 340.471 3.224 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000377266502 169004832 /nfs/dbraw/zinc/00/48/32/169004832.db2.gz KXXMTODEFUCLLP-CYBMUJFWSA-N 2 2 329.835 3.101 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000377266502 169004833 /nfs/dbraw/zinc/00/48/33/169004833.db2.gz KXXMTODEFUCLLP-CYBMUJFWSA-N 2 2 329.835 3.101 20 0 EGADLP Cc1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377338445 169012240 /nfs/dbraw/zinc/01/22/40/169012240.db2.gz XUNLZLJZRASUOW-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377338445 169012242 /nfs/dbraw/zinc/01/22/42/169012242.db2.gz XUNLZLJZRASUOW-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377338445 169012246 /nfs/dbraw/zinc/01/22/46/169012246.db2.gz XUNLZLJZRASUOW-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377338445 169012247 /nfs/dbraw/zinc/01/22/47/169012247.db2.gz XUNLZLJZRASUOW-QZTJIDSGSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000377348541 169013568 /nfs/dbraw/zinc/01/35/68/169013568.db2.gz VNVQSWVDGKFULL-UZLBHIALSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)cc12 ZINC000377348541 169013570 /nfs/dbraw/zinc/01/35/70/169013570.db2.gz VNVQSWVDGKFULL-UZLBHIALSA-N 2 2 349.482 3.029 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc3c(c1)OCCO3)CCC2 ZINC000378186753 169082682 /nfs/dbraw/zinc/08/26/82/169082682.db2.gz YPUZIYBBRUEHPN-HOCLYGCPSA-N 2 2 327.428 3.191 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)o2)c1 ZINC000378434330 169120331 /nfs/dbraw/zinc/12/03/31/169120331.db2.gz RGOFGTNYICGKSJ-OAHLLOKOSA-N 2 2 325.416 3.325 20 0 EGADLP Cc1cccc(-c2nnc([C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)o2)c1 ZINC000378434330 169120334 /nfs/dbraw/zinc/12/03/34/169120334.db2.gz RGOFGTNYICGKSJ-OAHLLOKOSA-N 2 2 325.416 3.325 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OCCCOC)c1 ZINC000091893064 218084176 /nfs/dbraw/zinc/08/41/76/218084176.db2.gz SMFKKKRCSWJPNE-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(OCCCOC)c1 ZINC000091893064 218084178 /nfs/dbraw/zinc/08/41/78/218084178.db2.gz SMFKKKRCSWJPNE-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCCCOC)c1 ZINC000091893064 218084180 /nfs/dbraw/zinc/08/41/80/218084180.db2.gz SMFKKKRCSWJPNE-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCCCOC)c1 ZINC000091893064 218084183 /nfs/dbraw/zinc/08/41/83/218084183.db2.gz SMFKKKRCSWJPNE-MOPGFXCFSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cn2c1 ZINC000268842304 252290667 /nfs/dbraw/zinc/29/06/67/252290667.db2.gz FROWVTOKQFAOEP-UHFFFAOYSA-N 2 2 348.494 3.439 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000268866406 252315230 /nfs/dbraw/zinc/31/52/30/252315230.db2.gz SWNIFRGTZRYDKE-GDBMZVCRSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000268866406 252315235 /nfs/dbraw/zinc/31/52/35/252315235.db2.gz SWNIFRGTZRYDKE-GDBMZVCRSA-N 2 2 332.879 3.216 20 0 EGADLP C[NH2+][C@H]1CCCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000133640413 533024815 /nfs/dbraw/zinc/02/48/15/533024815.db2.gz YGLHHSUFKJHANG-AWEZNQCLSA-N 2 2 345.830 3.351 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000132020304 533648316 /nfs/dbraw/zinc/64/83/16/533648316.db2.gz YMJUOPULGMTDQJ-ZBFHGGJFSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000132020304 533648324 /nfs/dbraw/zinc/64/83/24/533648324.db2.gz YMJUOPULGMTDQJ-ZBFHGGJFSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3ccccc3)n2)C1 ZINC000237480609 141004223 /nfs/dbraw/zinc/00/42/23/141004223.db2.gz YPTCPWKMPAMJRQ-CJNGLKHVSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])c3ccccc3)n2)C1 ZINC000237480609 141004224 /nfs/dbraw/zinc/00/42/24/141004224.db2.gz YPTCPWKMPAMJRQ-CJNGLKHVSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@@H+]1C1CC1 ZINC000246902229 141042320 /nfs/dbraw/zinc/04/23/20/141042320.db2.gz FLKYDXBSUUKNPL-AUJRIZCKSA-N 2 2 328.456 3.124 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)C[N@H+]1C1CC1 ZINC000246902229 141042321 /nfs/dbraw/zinc/04/23/21/141042321.db2.gz FLKYDXBSUUKNPL-AUJRIZCKSA-N 2 2 328.456 3.124 20 0 EGADLP CCOC1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCCC1 ZINC000339474987 141119590 /nfs/dbraw/zinc/11/95/90/141119590.db2.gz VQHURUQTGBVNFM-UHFFFAOYSA-N 2 2 337.533 3.349 20 0 EGADLP CCOC1(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCCC1 ZINC000339474987 141119591 /nfs/dbraw/zinc/11/95/91/141119591.db2.gz VQHURUQTGBVNFM-UHFFFAOYSA-N 2 2 337.533 3.349 20 0 EGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000339494450 141123140 /nfs/dbraw/zinc/12/31/40/141123140.db2.gz VVPYQWNSJYYXGB-NSHDSACASA-N 2 2 342.274 3.004 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(F)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000344514020 141167037 /nfs/dbraw/zinc/16/70/37/141167037.db2.gz BYRDFXADGCBIHU-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(F)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000344514020 141167039 /nfs/dbraw/zinc/16/70/39/141167039.db2.gz BYRDFXADGCBIHU-LJQANCHMSA-N 2 2 348.849 3.206 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000348038724 141235021 /nfs/dbraw/zinc/23/50/21/141235021.db2.gz IZYDBJLBQBVABZ-SFHVURJKSA-N 2 2 343.858 3.371 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)[C@@H](C)C1 ZINC000352969039 141280387 /nfs/dbraw/zinc/28/03/87/141280387.db2.gz PVLUJGMRKIAECK-MJVIPROJSA-N 2 2 332.414 3.053 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)[C@@H](C)C1 ZINC000352969039 141280389 /nfs/dbraw/zinc/28/03/89/141280389.db2.gz PVLUJGMRKIAECK-MJVIPROJSA-N 2 2 332.414 3.053 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445987 141297648 /nfs/dbraw/zinc/29/76/48/141297648.db2.gz FDVRBXKXUFLSSR-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000353445987 141297649 /nfs/dbraw/zinc/29/76/49/141297649.db2.gz FDVRBXKXUFLSSR-HKUYNNGSSA-N 2 2 331.504 3.339 20 0 EGADLP CC[C@H](CC1CCCC1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000358028459 141380262 /nfs/dbraw/zinc/38/02/62/141380262.db2.gz PFZLSBJIROMPLO-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@H](CC1CCCC1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000358028459 141380264 /nfs/dbraw/zinc/38/02/64/141380264.db2.gz PFZLSBJIROMPLO-GOSISDBHSA-N 2 2 337.552 3.077 20 0 EGADLP CN(C)c1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc[nH+]1 ZINC000359651899 141398930 /nfs/dbraw/zinc/39/89/30/141398930.db2.gz RDJTYYMZEFDZAY-MRXNPFEDSA-N 2 2 332.835 3.042 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000172015747 144015229 /nfs/dbraw/zinc/01/52/29/144015229.db2.gz RYRUWBYRIITFKH-CQSZACIVSA-N 2 2 336.443 3.001 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000172583540 144023897 /nfs/dbraw/zinc/02/38/97/144023897.db2.gz ZQBPONGTPBEZQF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Cl)c1 ZINC000172583540 144023898 /nfs/dbraw/zinc/02/38/98/144023898.db2.gz ZQBPONGTPBEZQF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Cl)c1 ZINC000172583540 144023899 /nfs/dbraw/zinc/02/38/99/144023899.db2.gz ZQBPONGTPBEZQF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)c1 ZINC000172583540 144023900 /nfs/dbraw/zinc/02/39/00/144023900.db2.gz ZQBPONGTPBEZQF-LSDHHAIUSA-N 2 2 337.895 3.249 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114877 144152657 /nfs/dbraw/zinc/15/26/57/144152657.db2.gz BIZXWVGXRCZDRW-CQSZACIVSA-N 2 2 333.501 3.469 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114877 144152658 /nfs/dbraw/zinc/15/26/58/144152658.db2.gz BIZXWVGXRCZDRW-CQSZACIVSA-N 2 2 333.501 3.469 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114877 144152659 /nfs/dbraw/zinc/15/26/59/144152659.db2.gz BIZXWVGXRCZDRW-CQSZACIVSA-N 2 2 333.501 3.469 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000187114877 144152661 /nfs/dbraw/zinc/15/26/61/144152661.db2.gz BIZXWVGXRCZDRW-CQSZACIVSA-N 2 2 333.501 3.469 20 0 EGADLP Cn1nc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2ccccc21 ZINC000187390737 144158223 /nfs/dbraw/zinc/15/82/23/144158223.db2.gz GPRQFGIPTJUYLS-UHFFFAOYSA-N 2 2 331.423 3.091 20 0 EGADLP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351436830 144265203 /nfs/dbraw/zinc/26/52/03/144265203.db2.gz AVLLJNRBZMUNOL-AWEZNQCLSA-N 2 2 331.287 3.270 20 0 EGADLP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351436830 144265205 /nfs/dbraw/zinc/26/52/05/144265205.db2.gz AVLLJNRBZMUNOL-AWEZNQCLSA-N 2 2 331.287 3.270 20 0 EGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351436830 144265206 /nfs/dbraw/zinc/26/52/06/144265206.db2.gz AVLLJNRBZMUNOL-AWEZNQCLSA-N 2 2 331.287 3.270 20 0 EGADLP CC[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351436830 144265208 /nfs/dbraw/zinc/26/52/08/144265208.db2.gz AVLLJNRBZMUNOL-AWEZNQCLSA-N 2 2 331.287 3.270 20 0 EGADLP Fc1ccc(-n2cc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)cn2)cc1 ZINC000351569328 144280938 /nfs/dbraw/zinc/28/09/38/144280938.db2.gz NSDHPILBIRXMLZ-UHFFFAOYSA-N 2 2 348.385 3.263 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574178 144282221 /nfs/dbraw/zinc/28/22/21/144282221.db2.gz NIBWMWVYNVLMIF-GXSJLCMTSA-N 2 2 335.250 3.238 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cc(F)c(Cl)cc1Cl ZINC000351574178 144282222 /nfs/dbraw/zinc/28/22/22/144282222.db2.gz NIBWMWVYNVLMIF-GXSJLCMTSA-N 2 2 335.250 3.238 20 0 EGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000351583655 144283531 /nfs/dbraw/zinc/28/35/31/144283531.db2.gz UUPKWYUORYITBS-VQIMIIECSA-N 2 2 330.472 3.483 20 0 EGADLP Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000351583655 144283533 /nfs/dbraw/zinc/28/35/33/144283533.db2.gz UUPKWYUORYITBS-VQIMIIECSA-N 2 2 330.472 3.483 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600332 144286166 /nfs/dbraw/zinc/28/61/66/144286166.db2.gz XZBMQCSFSOVQFC-QAPCUYQASA-N 2 2 349.906 3.252 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600332 144286168 /nfs/dbraw/zinc/28/61/68/144286168.db2.gz XZBMQCSFSOVQFC-QAPCUYQASA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600332 144286170 /nfs/dbraw/zinc/28/61/70/144286170.db2.gz XZBMQCSFSOVQFC-QAPCUYQASA-N 2 2 349.906 3.252 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000351600332 144286172 /nfs/dbraw/zinc/28/61/72/144286172.db2.gz XZBMQCSFSOVQFC-QAPCUYQASA-N 2 2 349.906 3.252 20 0 EGADLP Cc1csc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000351751010 144301229 /nfs/dbraw/zinc/30/12/29/144301229.db2.gz DWRLEXXDRIDQDI-KRWDZBQOSA-N 2 2 344.528 3.314 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855939 144316899 /nfs/dbraw/zinc/31/68/99/144316899.db2.gz UMDRQXXEPOQCRQ-CHWSQXEVSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000351855939 144316900 /nfs/dbraw/zinc/31/69/00/144316900.db2.gz UMDRQXXEPOQCRQ-CHWSQXEVSA-N 2 2 335.448 3.030 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860597 144316902 /nfs/dbraw/zinc/31/69/02/144316902.db2.gz JHAFWMAICNELHV-SJORKVTESA-N 2 2 329.488 3.021 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860597 144316903 /nfs/dbraw/zinc/31/69/03/144316903.db2.gz JHAFWMAICNELHV-SJORKVTESA-N 2 2 329.488 3.021 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1C ZINC000341086418 155149555 /nfs/dbraw/zinc/14/95/55/155149555.db2.gz DGXRGUAMUNHPTL-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1C ZINC000341086418 155149556 /nfs/dbraw/zinc/14/95/56/155149556.db2.gz DGXRGUAMUNHPTL-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1C ZINC000341086418 155149558 /nfs/dbraw/zinc/14/95/58/155149558.db2.gz DGXRGUAMUNHPTL-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1c[nH+]c(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1C ZINC000341086418 155149560 /nfs/dbraw/zinc/14/95/60/155149560.db2.gz DGXRGUAMUNHPTL-MRXNPFEDSA-N 2 2 326.488 3.250 20 0 EGADLP COC1CC[NH+](C2(C[NH2+][C@H]3CC(C)(C)OC3(C)C)CCCC2)CC1 ZINC000361217480 292169948 /nfs/dbraw/zinc/16/99/48/292169948.db2.gz RMLHOAQMIYZSLG-KRWDZBQOSA-N 2 2 338.536 3.346 20 0 EGADLP C[C@@H]1CCC[C@@](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000117763313 152114631 /nfs/dbraw/zinc/11/46/31/152114631.db2.gz XRMFMOYJPOQMOF-OXQOHEQNSA-N 2 2 340.471 3.113 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119864786 152234799 /nfs/dbraw/zinc/23/47/99/152234799.db2.gz BUFCYVHPWYDHRV-MJBXVCDLSA-N 2 2 325.522 3.164 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000119864786 152234803 /nfs/dbraw/zinc/23/48/03/152234803.db2.gz BUFCYVHPWYDHRV-MJBXVCDLSA-N 2 2 325.522 3.164 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119935406 152239084 /nfs/dbraw/zinc/23/90/84/152239084.db2.gz IEPAARMBQWLQRR-UTKZUKDTSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000119935406 152239088 /nfs/dbraw/zinc/23/90/88/152239088.db2.gz IEPAARMBQWLQRR-UTKZUKDTSA-N 2 2 338.499 3.148 20 0 EGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000120888974 152307489 /nfs/dbraw/zinc/30/74/89/152307489.db2.gz HFGSEFVLOGXWMR-UHFFFAOYSA-N 2 2 347.466 3.206 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1C ZINC000120922525 152309561 /nfs/dbraw/zinc/30/95/61/152309561.db2.gz ZNAIBUWKEUYDKS-HZPDHXFCSA-N 2 2 328.460 3.298 20 0 EGADLP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)o2)cc1C ZINC000120922525 152309564 /nfs/dbraw/zinc/30/95/64/152309564.db2.gz ZNAIBUWKEUYDKS-HZPDHXFCSA-N 2 2 328.460 3.298 20 0 EGADLP COc1ccc2oc(C[NH+]3CCN(c4cc(C)cc[nH+]4)CC3)cc2c1 ZINC000120925942 152311497 /nfs/dbraw/zinc/31/14/97/152311497.db2.gz VAEPCIHEFVKTKP-UHFFFAOYSA-N 2 2 337.423 3.467 20 0 EGADLP CC(C)(C)c1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121604503 152361592 /nfs/dbraw/zinc/36/15/92/152361592.db2.gz KUQYAFVRLGSTQF-UHFFFAOYSA-N 2 2 334.508 3.455 20 0 EGADLP CC(C)c1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000173951599 152829478 /nfs/dbraw/zinc/82/94/78/152829478.db2.gz DKWMULBZYWWEEH-UHFFFAOYSA-N 2 2 337.533 3.343 20 0 EGADLP CC(C)(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)Oc1ccccc1 ZINC000341589949 155370627 /nfs/dbraw/zinc/37/06/27/155370627.db2.gz KOPFVBDCGNEMHM-UHFFFAOYSA-N 2 2 339.483 3.493 20 0 EGADLP c1cn(-c2ccccc2)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)n1 ZINC000190862547 153163339 /nfs/dbraw/zinc/16/33/39/153163339.db2.gz MCPQTOOWSJAABC-UHFFFAOYSA-N 2 2 329.407 3.348 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000191472357 153199641 /nfs/dbraw/zinc/19/96/41/153199641.db2.gz AUXFJZKIEFRHAU-UHFFFAOYSA-N 2 2 343.475 3.043 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000191603495 153209942 /nfs/dbraw/zinc/20/99/42/153209942.db2.gz XMLBBGWYDDBPCG-FXAWDEMLSA-N 2 2 338.499 3.148 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000191603495 153209947 /nfs/dbraw/zinc/20/99/47/153209947.db2.gz XMLBBGWYDDBPCG-FXAWDEMLSA-N 2 2 338.499 3.148 20 0 EGADLP OC1(c2ccccc2Cl)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193142757 153279816 /nfs/dbraw/zinc/27/98/16/153279816.db2.gz OFWIROPMGFJTLH-UHFFFAOYSA-N 2 2 336.907 3.499 20 0 EGADLP COc1ncccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000193428317 153291039 /nfs/dbraw/zinc/29/10/39/153291039.db2.gz VJRHWCKUXZQTEN-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000195136190 153383104 /nfs/dbraw/zinc/38/31/04/153383104.db2.gz GRXYFDACPIIDAW-ICSRJNTNSA-N 2 2 347.466 3.006 20 0 EGADLP c1c[nH+]c([C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cccnc2)[nH]1 ZINC000195136190 153383106 /nfs/dbraw/zinc/38/31/06/153383106.db2.gz GRXYFDACPIIDAW-ICSRJNTNSA-N 2 2 347.466 3.006 20 0 EGADLP O[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000305147623 154086966 /nfs/dbraw/zinc/08/69/66/154086966.db2.gz NUAGBJDCGSWKEL-VQIMIIECSA-N 2 2 336.907 3.445 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000336838576 154217678 /nfs/dbraw/zinc/21/76/78/154217678.db2.gz NGNKJKQEYWDHMP-ZDUSSCGKSA-N 2 2 341.293 3.279 20 0 EGADLP Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400691 154334334 /nfs/dbraw/zinc/33/43/34/154334334.db2.gz LENOXSDBYNWNMT-ICTCPBKTSA-N 2 2 336.426 3.022 20 0 EGADLP Fc1ccc(/C=C/C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000337400691 154334335 /nfs/dbraw/zinc/33/43/35/154334335.db2.gz LENOXSDBYNWNMT-ICTCPBKTSA-N 2 2 336.426 3.022 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000337499142 154383517 /nfs/dbraw/zinc/38/35/17/154383517.db2.gz KPRHEYKXSYONMU-ZDUSSCGKSA-N 2 2 330.394 3.155 20 0 EGADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000337499142 154383520 /nfs/dbraw/zinc/38/35/20/154383520.db2.gz KPRHEYKXSYONMU-ZDUSSCGKSA-N 2 2 330.394 3.155 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346819386 156150806 /nfs/dbraw/zinc/15/08/06/156150806.db2.gz BQDYLMNJYAQNPB-MNOVXSKESA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346819386 156150809 /nfs/dbraw/zinc/15/08/09/156150809.db2.gz BQDYLMNJYAQNPB-MNOVXSKESA-N 2 2 329.307 3.340 20 0 EGADLP Cc1[nH]c(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)c[nH+]1 ZINC000348953911 156298644 /nfs/dbraw/zinc/29/86/44/156298644.db2.gz CFVSACMXADLPJK-PBHICJAKSA-N 2 2 328.460 3.213 20 0 EGADLP Cc1ccc(CN(CC[NH+](C)C)Cc2c(C)[nH+]c3ccccn32)o1 ZINC000349035376 156325464 /nfs/dbraw/zinc/32/54/64/156325464.db2.gz IHAISVYJIXZGTP-UHFFFAOYSA-N 2 2 326.444 3.108 20 0 EGADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(C(C)(C)C)no1 ZINC000372817294 157390874 /nfs/dbraw/zinc/39/08/74/157390874.db2.gz YQQMXQYTIGVUMC-ZDUSSCGKSA-N 2 2 329.448 3.082 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1nc2c(s1)CCCC2 ZINC000093371073 162006767 /nfs/dbraw/zinc/00/67/67/162006767.db2.gz RNQOXHDEXAKTIU-KKUMJFAQSA-N 2 2 337.533 3.172 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796764 162111533 /nfs/dbraw/zinc/11/15/33/162111533.db2.gz CBFMSGOADZWPQI-HNNXBMFYSA-N 2 2 349.438 3.095 20 0 EGADLP Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc[nH+]1 ZINC000112298507 162170776 /nfs/dbraw/zinc/17/07/76/162170776.db2.gz XIHOFTSOHFYFEI-INIZCTEOSA-N 2 2 327.403 3.380 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000125211859 162267698 /nfs/dbraw/zinc/26/76/98/162267698.db2.gz DXEZSMHZOYBNRG-UHFFFAOYSA-N 2 2 332.879 3.442 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000125211859 162267701 /nfs/dbraw/zinc/26/77/01/162267701.db2.gz DXEZSMHZOYBNRG-UHFFFAOYSA-N 2 2 332.879 3.442 20 0 EGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000131440095 162401353 /nfs/dbraw/zinc/40/13/53/162401353.db2.gz ZHAGYYBEKUKSNG-CQSZACIVSA-N 2 2 333.455 3.097 20 0 EGADLP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000248847956 163039394 /nfs/dbraw/zinc/03/93/94/163039394.db2.gz NNQOQCIWWWRHKI-IBGZPJMESA-N 2 2 330.520 3.234 20 0 EGADLP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000248847956 163039396 /nfs/dbraw/zinc/03/93/96/163039396.db2.gz NNQOQCIWWWRHKI-IBGZPJMESA-N 2 2 330.520 3.234 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272691 163190414 /nfs/dbraw/zinc/19/04/14/163190414.db2.gz OPHHNWXYTYXKPH-ICSRJNTNSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337272691 163190417 /nfs/dbraw/zinc/19/04/17/163190417.db2.gz OPHHNWXYTYXKPH-ICSRJNTNSA-N 2 2 345.531 3.450 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000354350211 166007317 /nfs/dbraw/zinc/00/73/17/166007317.db2.gz ZCEJODMOFHDZIM-HXUWFJFHSA-N 2 2 327.472 3.189 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1cnccc1C)c1ccccc1 ZINC000354350211 166007318 /nfs/dbraw/zinc/00/73/18/166007318.db2.gz ZCEJODMOFHDZIM-HXUWFJFHSA-N 2 2 327.472 3.189 20 0 EGADLP C[C@H]1CC(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000338793767 163350183 /nfs/dbraw/zinc/35/01/83/163350183.db2.gz NXCJZNHLGCQMBZ-IRXDYDNUSA-N 2 2 331.504 3.229 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000344088380 164100713 /nfs/dbraw/zinc/10/07/13/164100713.db2.gz QMRKTRBGZGWISO-UWVAXJGDSA-N 2 2 337.467 3.058 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000344088380 164100715 /nfs/dbraw/zinc/10/07/15/164100715.db2.gz QMRKTRBGZGWISO-UWVAXJGDSA-N 2 2 337.467 3.058 20 0 EGADLP CC(C)n1cc2c(n1)C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000344320870 164155184 /nfs/dbraw/zinc/15/51/84/164155184.db2.gz CWXXAOVPYWZZTB-HNNXBMFYSA-N 2 2 341.484 3.358 20 0 EGADLP COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000344330413 164158293 /nfs/dbraw/zinc/15/82/93/164158293.db2.gz UYHSZDBUXKXUAP-QGZVFWFLSA-N 2 2 325.412 3.203 20 0 EGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000354855649 166049718 /nfs/dbraw/zinc/04/97/18/166049718.db2.gz UWTVYPUDZUCHLD-KBXCAEBGSA-N 2 2 349.438 3.132 20 0 EGADLP C[NH+](C)Cc1cnc(CNc2ccc(N3CCCCC3)[nH+]c2)s1 ZINC000351640336 165109208 /nfs/dbraw/zinc/10/92/08/165109208.db2.gz HAESRCSGOKESCS-UHFFFAOYSA-N 2 2 331.489 3.202 20 0 EGADLP Cc1occc1C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351894990 165140468 /nfs/dbraw/zinc/14/04/68/165140468.db2.gz FCZKKOVKYYIUKY-UHFFFAOYSA-N 2 2 327.472 3.232 20 0 EGADLP Cc1occc1C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351894990 165140473 /nfs/dbraw/zinc/14/04/73/165140473.db2.gz FCZKKOVKYYIUKY-UHFFFAOYSA-N 2 2 327.472 3.232 20 0 EGADLP Cc1[nH+]ccn1CCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351911444 165146906 /nfs/dbraw/zinc/14/69/06/165146906.db2.gz XXOONINQJCSENB-UHFFFAOYSA-N 2 2 337.383 3.201 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000352072500 165220398 /nfs/dbraw/zinc/22/03/98/165220398.db2.gz WTMGTSWJBSRGLP-JQTTXECVSA-N 2 2 346.515 3.325 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(C(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352078488 165223789 /nfs/dbraw/zinc/22/37/89/165223789.db2.gz YXCOOAFVTGEHSW-ZBFHGGJFSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(C(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352078488 165223794 /nfs/dbraw/zinc/22/37/94/165223794.db2.gz YXCOOAFVTGEHSW-ZBFHGGJFSA-N 2 2 334.414 3.278 20 0 EGADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355124618 166112760 /nfs/dbraw/zinc/11/27/60/166112760.db2.gz QXDUUICTVNIIFY-ICSRJNTNSA-N 3 2 330.520 3.152 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355752364 166297855 /nfs/dbraw/zinc/29/78/55/166297855.db2.gz NRLFWGXAPVNDDA-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000355752364 166297856 /nfs/dbraw/zinc/29/78/56/166297856.db2.gz NRLFWGXAPVNDDA-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000355752364 166297860 /nfs/dbraw/zinc/29/78/60/166297860.db2.gz NRLFWGXAPVNDDA-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000355752364 166297862 /nfs/dbraw/zinc/29/78/62/166297862.db2.gz NRLFWGXAPVNDDA-STQMWFEESA-N 2 2 341.858 3.080 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355906486 166343120 /nfs/dbraw/zinc/34/31/20/166343120.db2.gz BJFOWLJQKYIAPF-UHFFFAOYSA-N 2 2 344.503 3.312 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000358908581 167001782 /nfs/dbraw/zinc/00/17/82/167001782.db2.gz AGBVQHOBPGIZNI-GOSISDBHSA-N 2 2 326.431 3.362 20 0 EGADLP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000359205271 167095133 /nfs/dbraw/zinc/09/51/33/167095133.db2.gz FKQWGXVILBNYER-MRXNPFEDSA-N 2 2 325.412 3.088 20 0 EGADLP C[N@H+](CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000359665086 167205992 /nfs/dbraw/zinc/20/59/92/167205992.db2.gz QYSWJNIUSGPSKW-UHFFFAOYSA-N 3 2 344.547 3.290 20 0 EGADLP C[N@@H+](CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000359665086 167205993 /nfs/dbraw/zinc/20/59/93/167205993.db2.gz QYSWJNIUSGPSKW-UHFFFAOYSA-N 3 2 344.547 3.290 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21)C[NH+]1CCCC1 ZINC000360233272 167276856 /nfs/dbraw/zinc/27/68/56/167276856.db2.gz GMPTYJUGEJPPGN-CMPLNLGQSA-N 2 2 349.327 3.479 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000366211148 168094808 /nfs/dbraw/zinc/09/48/08/168094808.db2.gz QMJGJJYXLUWRAX-IEBWSBKVSA-N 2 2 345.462 3.445 20 0 EGADLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000367117699 168181597 /nfs/dbraw/zinc/18/15/97/168181597.db2.gz SAZONVONULAMOF-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000367117699 168181600 /nfs/dbraw/zinc/18/16/00/168181600.db2.gz SAZONVONULAMOF-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cccc(OC)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000367216745 168194409 /nfs/dbraw/zinc/19/44/09/168194409.db2.gz GLZMDSZWLSAXJA-UHFFFAOYSA-N 2 2 341.386 3.318 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@H+](C)C1CC1 ZINC000367745399 168265755 /nfs/dbraw/zinc/26/57/55/168265755.db2.gz FBYYORIYCYATIK-INMHGKMJSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[N@@H+](C)C1CC1 ZINC000367745399 168265757 /nfs/dbraw/zinc/26/57/57/168265757.db2.gz FBYYORIYCYATIK-INMHGKMJSA-N 2 2 339.524 3.094 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850022 168277497 /nfs/dbraw/zinc/27/74/97/168277497.db2.gz OKJJNOAFUICCGK-MRXNPFEDSA-N 2 2 339.361 3.374 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850022 168277498 /nfs/dbraw/zinc/27/74/98/168277498.db2.gz OKJJNOAFUICCGK-MRXNPFEDSA-N 2 2 339.361 3.374 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850022 168277500 /nfs/dbraw/zinc/27/75/00/168277500.db2.gz OKJJNOAFUICCGK-MRXNPFEDSA-N 2 2 339.361 3.374 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)C1 ZINC000367850022 168277501 /nfs/dbraw/zinc/27/75/01/168277501.db2.gz OKJJNOAFUICCGK-MRXNPFEDSA-N 2 2 339.361 3.374 20 0 EGADLP Fc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000368051413 168303894 /nfs/dbraw/zinc/30/38/94/168303894.db2.gz MQDMTMWXGFLRCN-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000368051413 168303896 /nfs/dbraw/zinc/30/38/96/168303896.db2.gz MQDMTMWXGFLRCN-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000368051413 168303899 /nfs/dbraw/zinc/30/38/99/168303899.db2.gz MQDMTMWXGFLRCN-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP Fc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000368051413 168303901 /nfs/dbraw/zinc/30/39/01/168303901.db2.gz MQDMTMWXGFLRCN-HXUWFJFHSA-N 2 2 325.431 3.319 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000120829303 221685399 /nfs/dbraw/zinc/68/53/99/221685399.db2.gz VSWVVDUPUPKACV-UHFFFAOYSA-N 2 2 328.460 3.066 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129294 309122594 /nfs/dbraw/zinc/12/25/94/309122594.db2.gz PDWIUMJGLPUDPE-OCCSQVGLSA-N 2 2 326.868 3.164 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000415129294 309122595 /nfs/dbraw/zinc/12/25/95/309122595.db2.gz PDWIUMJGLPUDPE-OCCSQVGLSA-N 2 2 326.868 3.164 20 0 EGADLP [NH3+]CC1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCCC1 ZINC000178657880 265333114 /nfs/dbraw/zinc/33/31/14/265333114.db2.gz JQCVWEYVNIEIJX-UHFFFAOYSA-N 2 2 326.444 3.220 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CCc3ccc4c(c3)CCO4)C2)cc1 ZINC000236595334 266209029 /nfs/dbraw/zinc/20/90/29/266209029.db2.gz YNLSRARCTVIYQH-NRFANRHFSA-N 2 2 336.479 3.418 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCc3ccc4c(c3)CCO4)C2)cc1 ZINC000236595334 266209033 /nfs/dbraw/zinc/20/90/33/266209033.db2.gz YNLSRARCTVIYQH-NRFANRHFSA-N 2 2 336.479 3.418 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000269640152 266331942 /nfs/dbraw/zinc/33/19/42/266331942.db2.gz NVEOLJCEZNTFST-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000269640152 266331947 /nfs/dbraw/zinc/33/19/47/266331947.db2.gz NVEOLJCEZNTFST-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000269917139 266382381 /nfs/dbraw/zinc/38/23/81/266382381.db2.gz LMSHIKNZCGNCLR-ACJLOTCBSA-N 2 2 336.426 3.043 20 0 EGADLP CCc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000273388337 267032183 /nfs/dbraw/zinc/03/21/83/267032183.db2.gz UNSCSERWBYAOAA-UHFFFAOYSA-N 2 2 347.466 3.349 20 0 EGADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)s1 ZINC000274281521 267211350 /nfs/dbraw/zinc/21/13/50/267211350.db2.gz YMCCKVJCJRLLCJ-QWHCGFSZSA-N 2 2 334.489 3.199 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950311 267310449 /nfs/dbraw/zinc/31/04/49/267310449.db2.gz UZVBCWPXAFYZSD-ICSRJNTNSA-N 3 2 348.494 3.377 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274950311 267310452 /nfs/dbraw/zinc/31/04/52/267310452.db2.gz UZVBCWPXAFYZSD-ICSRJNTNSA-N 3 2 348.494 3.377 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275086024 267315893 /nfs/dbraw/zinc/31/58/93/267315893.db2.gz GFJNNEBMWZQSHC-HNNXBMFYSA-N 2 2 338.442 3.123 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275086024 267315895 /nfs/dbraw/zinc/31/58/95/267315895.db2.gz GFJNNEBMWZQSHC-HNNXBMFYSA-N 2 2 338.442 3.123 20 0 EGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)CCO1 ZINC000275541782 267378329 /nfs/dbraw/zinc/37/83/29/267378329.db2.gz MRVABSDQNSFFJL-IUODEOHRSA-N 2 2 334.489 3.184 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000278558557 268038819 /nfs/dbraw/zinc/03/88/19/268038819.db2.gz IDDRAGPTAFBEQB-UHFFFAOYSA-N 2 2 332.366 3.202 20 0 EGADLP CC(C)C[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000092560703 275154546 /nfs/dbraw/zinc/15/45/46/275154546.db2.gz WIVMFJUMRHNUPS-JCYILVPMSA-N 2 2 326.525 3.453 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000110822719 275181661 /nfs/dbraw/zinc/18/16/61/275181661.db2.gz RIGCBHMUUXGBAA-JKSUJKDBSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000110822719 275181662 /nfs/dbraw/zinc/18/16/62/275181662.db2.gz RIGCBHMUUXGBAA-JKSUJKDBSA-N 2 2 335.289 3.133 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192047982 275223014 /nfs/dbraw/zinc/22/30/14/275223014.db2.gz VVBBIPRMMFUJIZ-GOSISDBHSA-N 3 2 326.488 3.344 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192047982 275223015 /nfs/dbraw/zinc/22/30/15/275223015.db2.gz VVBBIPRMMFUJIZ-GOSISDBHSA-N 3 2 326.488 3.344 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000271887718 275238890 /nfs/dbraw/zinc/23/88/90/275238890.db2.gz WJWRWBJRVSYXMC-GDBMZVCRSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000271887718 275238892 /nfs/dbraw/zinc/23/88/92/275238892.db2.gz WJWRWBJRVSYXMC-GDBMZVCRSA-N 2 2 344.459 3.069 20 0 EGADLP CC[NH+](CC)[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)c1ccccc1Cl ZINC000279214674 275313307 /nfs/dbraw/zinc/31/33/07/275313307.db2.gz OEMYRDDZZUFCPM-INIZCTEOSA-N 2 2 348.878 3.195 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCn2c(C)[nH+]c3ccccc32)[C@@H]1C ZINC000280022836 275392877 /nfs/dbraw/zinc/39/28/77/275392877.db2.gz UBZMTBRFBHDZNV-PVAVHDDUSA-N 2 2 343.471 3.302 20 0 EGADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280264773 275429209 /nfs/dbraw/zinc/42/92/09/275429209.db2.gz QCFMBROLOSPTLS-GJZGRUSLSA-N 2 2 342.487 3.285 20 0 EGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(O)c1 ZINC000282384353 275627996 /nfs/dbraw/zinc/62/79/96/275627996.db2.gz QWXPTPAECCZJBJ-HNNXBMFYSA-N 2 2 340.471 3.491 20 0 EGADLP COCCc1cc[nH+]c(NC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000287532152 276129335 /nfs/dbraw/zinc/12/93/35/276129335.db2.gz OYLTVBPOEIZXHC-UHFFFAOYSA-N 2 2 331.382 3.099 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000353944031 276272686 /nfs/dbraw/zinc/27/26/86/276272686.db2.gz JEGZDKUOBGKHBT-UHFFFAOYSA-N 2 2 345.487 3.152 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000289224132 276306917 /nfs/dbraw/zinc/30/69/17/276306917.db2.gz XXBFPKDBWCSVRP-UHFFFAOYSA-N 2 2 343.515 3.293 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000289280667 276315668 /nfs/dbraw/zinc/31/56/68/276315668.db2.gz OPRVBIGTKBCECV-QGZVFWFLSA-N 2 2 338.373 3.362 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCOCC1 ZINC000289297874 276318118 /nfs/dbraw/zinc/31/81/18/276318118.db2.gz RTIQYPZJCBXWAW-KXBFYZLASA-N 2 2 327.472 3.103 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000289352144 276326220 /nfs/dbraw/zinc/32/62/20/276326220.db2.gz HLTATILZCUUULD-UHFFFAOYSA-N 2 2 349.438 3.014 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000174218223 276334474 /nfs/dbraw/zinc/33/44/74/276334474.db2.gz ZKJHVNMRSFQMJT-PBHICJAKSA-N 2 2 344.421 3.403 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000174218223 276334477 /nfs/dbraw/zinc/33/44/77/276334477.db2.gz ZKJHVNMRSFQMJT-PBHICJAKSA-N 2 2 344.421 3.403 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000289576241 276360354 /nfs/dbraw/zinc/36/03/54/276360354.db2.gz AEMOQPFZHZZEES-ZWKOTPCHSA-N 2 2 325.412 3.447 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)no1 ZINC000289786727 276394513 /nfs/dbraw/zinc/39/45/13/276394513.db2.gz OFQKOBZGVABDID-CABCVRRESA-N 2 2 346.450 3.286 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1O ZINC000289894268 276414674 /nfs/dbraw/zinc/41/46/74/276414674.db2.gz XEOKBUBETXEEHS-IFXJQAMLSA-N 2 2 344.455 3.190 20 0 EGADLP CCN(CC)C(=O)[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000359064941 279075291 /nfs/dbraw/zinc/07/52/91/279075291.db2.gz GNQIPHUBESURMT-IBGZPJMESA-N 2 2 345.531 3.308 20 0 EGADLP C[C@@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC[NH2+]1 ZINC000180991837 279155615 /nfs/dbraw/zinc/15/56/15/279155615.db2.gz DPDTVLUBNCQXSG-FQEVSTJZSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253552 279182692 /nfs/dbraw/zinc/18/26/92/279182692.db2.gz WQOFERQPZVEXFC-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253552 279182696 /nfs/dbraw/zinc/18/26/96/279182696.db2.gz WQOFERQPZVEXFC-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253552 279182698 /nfs/dbraw/zinc/18/26/98/279182698.db2.gz WQOFERQPZVEXFC-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253552 279182701 /nfs/dbraw/zinc/18/27/01/279182701.db2.gz WQOFERQPZVEXFC-GOSISDBHSA-N 2 2 326.488 3.263 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268260 279184732 /nfs/dbraw/zinc/18/47/32/279184732.db2.gz JYBTXFZFZUITMU-FQEVSTJZSA-N 2 2 345.531 3.308 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268260 279184734 /nfs/dbraw/zinc/18/47/34/279184734.db2.gz JYBTXFZFZUITMU-FQEVSTJZSA-N 2 2 345.531 3.308 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000358151811 279264423 /nfs/dbraw/zinc/26/44/23/279264423.db2.gz GRPJSFJYSMJYEQ-ZIAGYGMSSA-N 2 2 330.394 3.467 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)nc(=O)c2c1C ZINC000342138917 279286904 /nfs/dbraw/zinc/28/69/04/279286904.db2.gz SHCNPZYISHOFGB-PYJNHQTQSA-N 2 2 346.500 3.134 20 0 EGADLP Cc1sc2[nH]c([C@H](C)[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)nc(=O)c2c1C ZINC000342138917 279286909 /nfs/dbraw/zinc/28/69/09/279286909.db2.gz SHCNPZYISHOFGB-PYJNHQTQSA-N 2 2 346.500 3.134 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230055 280243042 /nfs/dbraw/zinc/24/30/42/280243042.db2.gz YHRVMMCEFXPZLY-GUDVDZBRSA-N 2 2 335.536 3.116 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230055 280243045 /nfs/dbraw/zinc/24/30/45/280243045.db2.gz YHRVMMCEFXPZLY-GUDVDZBRSA-N 2 2 335.536 3.116 20 0 EGADLP C[NH+](C)CCN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccccc1 ZINC000267495042 289152054 /nfs/dbraw/zinc/15/20/54/289152054.db2.gz WYOYZHRYGLTNFT-UHFFFAOYSA-N 2 2 340.393 3.009 20 0 EGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000268873607 290037291 /nfs/dbraw/zinc/03/72/91/290037291.db2.gz GOGRUIKKRRLBMH-ZBFHGGJFSA-N 2 2 339.936 3.102 20 0 EGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000268873607 290037292 /nfs/dbraw/zinc/03/72/92/290037292.db2.gz GOGRUIKKRRLBMH-ZBFHGGJFSA-N 2 2 339.936 3.102 20 0 EGADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158979905 295146870 /nfs/dbraw/zinc/14/68/70/295146870.db2.gz AXVLXCZMDFBFLX-GDBMZVCRSA-N 2 2 340.895 3.092 20 0 EGADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116395931 307483707 /nfs/dbraw/zinc/48/37/07/307483707.db2.gz ZXKZTDCQYIVTBN-CRAIPNDOSA-N 2 2 349.519 3.287 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414083495 309059894 /nfs/dbraw/zinc/05/98/94/309059894.db2.gz WQSYWLJEOLDUJB-DLBZAZTESA-N 2 2 339.483 3.058 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000414083495 309059895 /nfs/dbraw/zinc/05/98/95/309059895.db2.gz WQSYWLJEOLDUJB-DLBZAZTESA-N 2 2 339.483 3.058 20 0 EGADLP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414083144 309059999 /nfs/dbraw/zinc/05/99/99/309059999.db2.gz VUTZJRMBVVENJQ-ZDUSSCGKSA-N 2 2 347.484 3.232 20 0 EGADLP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414083144 309060000 /nfs/dbraw/zinc/06/00/00/309060000.db2.gz VUTZJRMBVVENJQ-ZDUSSCGKSA-N 2 2 347.484 3.232 20 0 EGADLP CCCCn1c(SCc2[nH+]ccn2C)nnc1[C@H](CC)[NH+](C)C ZINC000132994446 307666045 /nfs/dbraw/zinc/66/60/45/307666045.db2.gz VPGIPRZUSZFAIA-ZDUSSCGKSA-N 2 2 336.509 3.117 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)c2ccccc12 ZINC000153168488 307767483 /nfs/dbraw/zinc/76/74/83/307767483.db2.gz UAKXMIXFXWZNFN-DLBZAZTESA-N 2 2 342.483 3.467 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000414211084 309066931 /nfs/dbraw/zinc/06/69/31/309066931.db2.gz NYXYICJLEYAQEB-HBMCJLEFSA-N 2 2 338.499 3.436 20 0 EGADLP CCn1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000414211084 309066932 /nfs/dbraw/zinc/06/69/32/309066932.db2.gz NYXYICJLEYAQEB-HBMCJLEFSA-N 2 2 338.499 3.436 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414288680 309070823 /nfs/dbraw/zinc/07/08/23/309070823.db2.gz LRPSYOVRPOCHHS-LKUPVBHCSA-N 2 2 342.458 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414288680 309070824 /nfs/dbraw/zinc/07/08/24/309070824.db2.gz LRPSYOVRPOCHHS-LKUPVBHCSA-N 2 2 342.458 3.012 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414288681 309070863 /nfs/dbraw/zinc/07/08/63/309070863.db2.gz LRPSYOVRPOCHHS-OZOXKJRCSA-N 2 2 342.458 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414288681 309070864 /nfs/dbraw/zinc/07/08/64/309070864.db2.gz LRPSYOVRPOCHHS-OZOXKJRCSA-N 2 2 342.458 3.012 20 0 EGADLP COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414367200 309075644 /nfs/dbraw/zinc/07/56/44/309075644.db2.gz RJVHOQNKYFHADA-QGZVFWFLSA-N 2 2 330.476 3.372 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248622077 308007679 /nfs/dbraw/zinc/00/76/79/308007679.db2.gz NMHPZQHLOYOFGZ-VDGAXYAQSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248622077 308007680 /nfs/dbraw/zinc/00/76/80/308007680.db2.gz NMHPZQHLOYOFGZ-VDGAXYAQSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248622077 308007682 /nfs/dbraw/zinc/00/76/82/308007682.db2.gz NMHPZQHLOYOFGZ-VDGAXYAQSA-N 2 2 342.483 3.158 20 0 EGADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248622077 308007684 /nfs/dbraw/zinc/00/76/84/308007684.db2.gz NMHPZQHLOYOFGZ-VDGAXYAQSA-N 2 2 342.483 3.158 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000248797014 308011902 /nfs/dbraw/zinc/01/19/02/308011902.db2.gz FGXOFWJDVNSQJV-STZQEDGTSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000248797014 308011904 /nfs/dbraw/zinc/01/19/04/308011904.db2.gz FGXOFWJDVNSQJV-STZQEDGTSA-N 2 2 338.495 3.324 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nn1C ZINC000414459029 309081537 /nfs/dbraw/zinc/08/15/37/309081537.db2.gz VKZXNIBQAQNDGL-LJQANCHMSA-N 2 2 326.488 3.120 20 0 EGADLP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000414459029 309081538 /nfs/dbraw/zinc/08/15/38/309081538.db2.gz VKZXNIBQAQNDGL-LJQANCHMSA-N 2 2 326.488 3.120 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119772 308101070 /nfs/dbraw/zinc/10/10/70/308101070.db2.gz ZBJAMJBZSKHFKM-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119772 308101072 /nfs/dbraw/zinc/10/10/72/308101072.db2.gz ZBJAMJBZSKHFKM-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119772 308101074 /nfs/dbraw/zinc/10/10/74/308101074.db2.gz ZBJAMJBZSKHFKM-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccccc4Cl)o3)C2)C1 ZINC000293119772 308101075 /nfs/dbraw/zinc/10/10/75/308101075.db2.gz ZBJAMJBZSKHFKM-GOSISDBHSA-N 2 2 346.862 3.308 20 0 EGADLP Cc1sccc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000293477149 308134244 /nfs/dbraw/zinc/13/42/44/308134244.db2.gz FMNCRVOQAKZXOW-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550229 308140702 /nfs/dbraw/zinc/14/07/02/308140702.db2.gz DYIJCFJPGIPWCP-QGZVFWFLSA-N 2 2 328.378 3.345 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550229 308140703 /nfs/dbraw/zinc/14/07/03/308140703.db2.gz DYIJCFJPGIPWCP-QGZVFWFLSA-N 2 2 328.378 3.345 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550229 308140705 /nfs/dbraw/zinc/14/07/05/308140705.db2.gz DYIJCFJPGIPWCP-QGZVFWFLSA-N 2 2 328.378 3.345 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550229 308140707 /nfs/dbraw/zinc/14/07/07/308140707.db2.gz DYIJCFJPGIPWCP-QGZVFWFLSA-N 2 2 328.378 3.345 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600392 308145544 /nfs/dbraw/zinc/14/55/44/308145544.db2.gz JDHCRALVTKQFKR-LJQANCHMSA-N 2 2 346.425 3.273 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600392 308145545 /nfs/dbraw/zinc/14/55/45/308145545.db2.gz JDHCRALVTKQFKR-LJQANCHMSA-N 2 2 346.425 3.273 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600392 308145546 /nfs/dbraw/zinc/14/55/46/308145546.db2.gz JDHCRALVTKQFKR-LJQANCHMSA-N 2 2 346.425 3.273 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C2)C1 ZINC000293600392 308145547 /nfs/dbraw/zinc/14/55/47/308145547.db2.gz JDHCRALVTKQFKR-LJQANCHMSA-N 2 2 346.425 3.273 20 0 EGADLP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882915 308170827 /nfs/dbraw/zinc/17/08/27/308170827.db2.gz VNADLHUCIVLWCK-GOEBONIOSA-N 2 2 333.505 3.057 20 0 EGADLP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000293882915 308170829 /nfs/dbraw/zinc/17/08/29/308170829.db2.gz VNADLHUCIVLWCK-GOEBONIOSA-N 2 2 333.505 3.057 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911710 308173406 /nfs/dbraw/zinc/17/34/06/308173406.db2.gz WXRSEDJUQDNQFI-YJBOKZPZSA-N 2 2 331.460 3.168 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911710 308173407 /nfs/dbraw/zinc/17/34/07/308173407.db2.gz WXRSEDJUQDNQFI-YJBOKZPZSA-N 2 2 331.460 3.168 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(Cl)nc21 ZINC000294932520 308273096 /nfs/dbraw/zinc/27/30/96/308273096.db2.gz GHHLULQUJVBAPQ-MQVJKMGUSA-N 2 2 347.894 3.380 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(Cl)nc21 ZINC000294932520 308273098 /nfs/dbraw/zinc/27/30/98/308273098.db2.gz GHHLULQUJVBAPQ-MQVJKMGUSA-N 2 2 347.894 3.380 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295492858 308332282 /nfs/dbraw/zinc/33/22/82/308332282.db2.gz STRBULHCPGBZAR-HOCLYGCPSA-N 2 2 331.410 3.360 20 0 EGADLP C[C@H]([NH2+]Cc1cc(F)ncc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295492858 308332283 /nfs/dbraw/zinc/33/22/83/308332283.db2.gz STRBULHCPGBZAR-HOCLYGCPSA-N 2 2 331.410 3.360 20 0 EGADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000295620567 308344416 /nfs/dbraw/zinc/34/44/16/308344416.db2.gz GXNRTTXKRPISAU-GOSISDBHSA-N 2 2 334.423 3.398 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000414666939 309094494 /nfs/dbraw/zinc/09/44/94/309094494.db2.gz XCTJRSYRWKFHBT-KXBFYZLASA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000414666939 309094495 /nfs/dbraw/zinc/09/44/95/309094495.db2.gz XCTJRSYRWKFHBT-KXBFYZLASA-N 2 2 325.456 3.316 20 0 EGADLP C[NH+](C)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000297047701 308493402 /nfs/dbraw/zinc/49/34/02/308493402.db2.gz YGMBMSORKOVDRH-MSOLQXFVSA-N 2 2 347.503 3.278 20 0 EGADLP Cc1ccc(C[N@H+](CCC[NH3+])C[C@@H]2CCCO2)c(Br)c1 ZINC000414764481 309099337 /nfs/dbraw/zinc/09/93/37/309099337.db2.gz YNBCKMXHHSEVIU-HNNXBMFYSA-N 2 2 341.293 3.087 20 0 EGADLP Cc1ccc(C[N@@H+](CCC[NH3+])C[C@@H]2CCCO2)c(Br)c1 ZINC000414764481 309099338 /nfs/dbraw/zinc/09/93/38/309099338.db2.gz YNBCKMXHHSEVIU-HNNXBMFYSA-N 2 2 341.293 3.087 20 0 EGADLP [NH3+]C[C@@H]1C[N@H+](Cc2csc(Cl)c2Cl)CC12CCOCC2 ZINC000414781086 309100595 /nfs/dbraw/zinc/10/05/95/309100595.db2.gz MLSLBROCJMZYQZ-LLVKDONJSA-N 2 2 335.300 3.242 20 0 EGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(Cl)c2Cl)CC12CCOCC2 ZINC000414781086 309100596 /nfs/dbraw/zinc/10/05/96/309100596.db2.gz MLSLBROCJMZYQZ-LLVKDONJSA-N 2 2 335.300 3.242 20 0 EGADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2Cl)CC12CCOCC2 ZINC000414781543 309100616 /nfs/dbraw/zinc/10/06/16/309100616.db2.gz NEIPQUPHMRVMMA-LBPRGKRZSA-N 2 2 347.261 3.320 20 0 EGADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2Cl)CC12CCOCC2 ZINC000414781543 309100617 /nfs/dbraw/zinc/10/06/17/309100617.db2.gz NEIPQUPHMRVMMA-LBPRGKRZSA-N 2 2 347.261 3.320 20 0 EGADLP c1csc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+]2CCOCC2)c1 ZINC000298146901 308588095 /nfs/dbraw/zinc/58/80/95/308588095.db2.gz UUIRQPAEYUVUKR-OAHLLOKOSA-N 2 2 328.441 3.110 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414797964 309102098 /nfs/dbraw/zinc/10/20/98/309102098.db2.gz PWFGOIATHDWQKG-SFHVURJKSA-N 2 2 334.895 3.275 20 0 EGADLP CCC([NH3+])(CC)C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000414801634 309102352 /nfs/dbraw/zinc/10/23/52/309102352.db2.gz AIUYURQHFVSQBH-UHFFFAOYSA-N 2 2 345.281 3.073 20 0 EGADLP Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301659064 308709420 /nfs/dbraw/zinc/70/94/20/308709420.db2.gz TUDLAALQCRUIMR-IAGOWNOFSA-N 2 2 346.519 3.234 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nc(N)c3ccccc3[nH+]2)C1 ZINC000301850102 308718205 /nfs/dbraw/zinc/71/82/05/308718205.db2.gz ATSFJADOFPILTO-HUUCEWRRSA-N 2 2 327.476 3.382 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000309965104 308763108 /nfs/dbraw/zinc/76/31/08/308763108.db2.gz KKTJWNPRUIWMAT-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000414844689 309105199 /nfs/dbraw/zinc/10/51/99/309105199.db2.gz LDYLARKBDGVEDD-FQEVSTJZSA-N 2 2 349.482 3.395 20 0 EGADLP FC(F)(F)c1cc(Br)cc(C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000414867882 309106465 /nfs/dbraw/zinc/10/64/65/309106465.db2.gz OZNRNLLTBGPUGL-LBPRGKRZSA-N 2 2 337.183 3.310 20 0 EGADLP C[C@H]1CN(Cc2ccc(N3CCCC3)[nH+]c2)c2cc(F)ccc2C[NH2+]1 ZINC000414873272 309106614 /nfs/dbraw/zinc/10/66/14/309106614.db2.gz QQRQMHIEZBGLCB-HNNXBMFYSA-N 2 2 340.446 3.319 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(C)c(OC)c2)cc1 ZINC000414889475 309107419 /nfs/dbraw/zinc/10/74/19/309107419.db2.gz SSJAOAXMZKVGPF-VQTJNVASSA-N 2 2 340.467 3.248 20 0 EGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000414892641 309107692 /nfs/dbraw/zinc/10/76/92/309107692.db2.gz XDBDRKHYHIVEBC-VQIMIIECSA-N 2 2 332.394 3.209 20 0 EGADLP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000414921352 309109431 /nfs/dbraw/zinc/10/94/31/309109431.db2.gz DLGITBWDNICZTF-OAQYLSRUSA-N 2 2 336.483 3.295 20 0 EGADLP [NH3+]C[C@@H](NCc1[nH+]ccn1CC(F)(F)F)c1ccc2ccccc2c1 ZINC000414930003 309109878 /nfs/dbraw/zinc/10/98/78/309109878.db2.gz AIOOIMIWBAOGQE-MRXNPFEDSA-N 2 2 348.372 3.388 20 0 EGADLP C[C@@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000414939425 309110436 /nfs/dbraw/zinc/11/04/36/309110436.db2.gz GCDQEVRJNCQCLT-ZDUSSCGKSA-N 2 2 349.272 3.465 20 0 EGADLP Cn1cc(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c(-c2cccs2)n1 ZINC000414958627 309111470 /nfs/dbraw/zinc/11/14/70/309111470.db2.gz RHFODDYGTBFUHY-KRWDZBQOSA-N 2 2 338.480 3.125 20 0 EGADLP COc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000414956799 309111516 /nfs/dbraw/zinc/11/15/16/309111516.db2.gz VQRVZOPFGOZLIL-MAUKXSAKSA-N 2 2 332.394 3.209 20 0 EGADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415045735 309116334 /nfs/dbraw/zinc/11/63/34/309116334.db2.gz UFOZEVIXONHZEE-GFCCVEGCSA-N 2 2 349.219 3.281 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415055041 309116860 /nfs/dbraw/zinc/11/68/60/309116860.db2.gz QRNMFDRERGRSRL-PBHICJAKSA-N 2 2 328.485 3.169 20 0 EGADLP c1sc(-c2ccccn2)nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415055041 309116861 /nfs/dbraw/zinc/11/68/61/309116861.db2.gz QRNMFDRERGRSRL-PBHICJAKSA-N 2 2 328.485 3.169 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccccc1OCCOC ZINC000415066848 309117924 /nfs/dbraw/zinc/11/79/24/309117924.db2.gz OKVVYXHPTAHWNG-LJQANCHMSA-N 2 2 328.456 3.064 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cnc(N(CC)CC)s1 ZINC000415068985 309118027 /nfs/dbraw/zinc/11/80/27/309118027.db2.gz RYXSLIASQAOXKN-KRWDZBQOSA-N 2 2 332.517 3.341 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000415068920 309118211 /nfs/dbraw/zinc/11/82/11/309118211.db2.gz RRWLOCGBEOVUHP-HXUWFJFHSA-N 2 2 338.430 3.363 20 0 EGADLP [NH3+][C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000415116653 309121365 /nfs/dbraw/zinc/12/13/65/309121365.db2.gz BSQFWAHPDISHFT-RBUKOAKNSA-N 2 2 336.414 3.143 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000415116653 309121366 /nfs/dbraw/zinc/12/13/66/309121366.db2.gz BSQFWAHPDISHFT-RBUKOAKNSA-N 2 2 336.414 3.143 20 0 EGADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415132786 309122869 /nfs/dbraw/zinc/12/28/69/309122869.db2.gz LZDOJMUGEGIRDD-VQTJNVASSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H](C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000415138391 309123196 /nfs/dbraw/zinc/12/31/96/309123196.db2.gz VAXUYRYVPKGYMU-LJQANCHMSA-N 3 2 337.511 3.373 20 0 EGADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415136795 309123276 /nfs/dbraw/zinc/12/32/76/309123276.db2.gz SDVRYSQAAGZZEB-UHFFFAOYSA-N 3 2 343.902 3.423 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415180080 309125024 /nfs/dbraw/zinc/12/50/24/309125024.db2.gz FBVIZFINRVBKTH-CABCVRRESA-N 2 2 340.427 3.465 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)CCC[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415453453 309133897 /nfs/dbraw/zinc/13/38/97/309133897.db2.gz LLCWTRKGDQJVGB-CABCVRRESA-N 2 2 333.480 3.018 20 0 EGADLP CCn1cncc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000417848904 309224925 /nfs/dbraw/zinc/22/49/25/309224925.db2.gz VNXGLGRLFHTZPA-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP C[NH+](C)C1(C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000418116632 309236070 /nfs/dbraw/zinc/23/60/70/309236070.db2.gz RFZBMABTWTWATQ-UHFFFAOYSA-N 2 2 334.261 3.181 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000419298170 309263503 /nfs/dbraw/zinc/26/35/03/309263503.db2.gz VXZNDRAZAKPZKZ-INIZCTEOSA-N 2 2 329.488 3.237 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1C ZINC000419299305 309263864 /nfs/dbraw/zinc/26/38/64/309263864.db2.gz YHTSJLATQUONMR-INIZCTEOSA-N 2 2 329.488 3.237 20 0 EGADLP CC(C)c1ccc(O[C@@H](C)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419703742 309271043 /nfs/dbraw/zinc/27/10/43/309271043.db2.gz FBVQUBKZOCTGRY-HNNXBMFYSA-N 2 2 330.476 3.167 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)N1c2ccccc2CCc2ccccc21)C1CC1 ZINC000420292501 309279744 /nfs/dbraw/zinc/27/97/44/309279744.db2.gz PKFXIFBYRPZDEC-JOCHJYFZSA-N 2 2 349.478 3.167 20 0 EGADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cs2)cc1 ZINC000420322945 309282192 /nfs/dbraw/zinc/28/21/92/309282192.db2.gz SWCSOVNRWBZSNK-SFHVURJKSA-N 2 2 347.484 3.060 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C)C[C@H]3C[NH3+])n2)cc1F ZINC000420335564 309283023 /nfs/dbraw/zinc/28/30/23/309283023.db2.gz LQFSDHJBNNKKSS-CJNGLKHVSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C)C[C@H]3C[NH3+])n2)cc1F ZINC000420335564 309283024 /nfs/dbraw/zinc/28/30/24/309283024.db2.gz LQFSDHJBNNKKSS-CJNGLKHVSA-N 2 2 346.450 3.176 20 0 EGADLP COC(=O)[C@H](c1cccc(Cl)c1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420341791 309283395 /nfs/dbraw/zinc/28/33/95/309283395.db2.gz VWRCOHGPGKUXMI-IRXDYDNUSA-N 2 2 336.863 3.018 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420360869 309283989 /nfs/dbraw/zinc/28/39/89/309283989.db2.gz HNVADCGBPGPCLN-YRBFXIGRSA-N 2 2 331.504 3.115 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)C1CCCCC1 ZINC000420380593 309285328 /nfs/dbraw/zinc/28/53/28/309285328.db2.gz YIFFTAHETMSAAT-FQEVSTJZSA-N 2 2 343.515 3.310 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)c1 ZINC000420399040 309286522 /nfs/dbraw/zinc/28/65/22/309286522.db2.gz HMIRRVUKWUJWJU-HIFRSBDPSA-N 2 2 331.485 3.235 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cs2)c1 ZINC000420399040 309286523 /nfs/dbraw/zinc/28/65/23/309286523.db2.gz HMIRRVUKWUJWJU-HIFRSBDPSA-N 2 2 331.485 3.235 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420414088 309287166 /nfs/dbraw/zinc/28/71/66/309287166.db2.gz UJBSSHILAFNNGK-RVKKMQEKSA-N 2 2 331.504 3.055 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420414088 309287167 /nfs/dbraw/zinc/28/71/67/309287167.db2.gz UJBSSHILAFNNGK-RVKKMQEKSA-N 2 2 331.504 3.055 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421826741 309341774 /nfs/dbraw/zinc/34/17/74/309341774.db2.gz UPFIJUJBUYOITE-CYBMUJFWSA-N 2 2 326.868 3.110 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CC(C)C)CCC3)CC2)CC1 ZINC000422009373 309350759 /nfs/dbraw/zinc/35/07/59/309350759.db2.gz AUESSPSKPDUKKO-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CC(C)C)CCC3)CC2)CC1 ZINC000422009373 309350760 /nfs/dbraw/zinc/35/07/60/309350760.db2.gz AUESSPSKPDUKKO-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422724755 309365067 /nfs/dbraw/zinc/36/50/67/309365067.db2.gz WNTRHRCPURYQCT-CZUORRHYSA-N 2 2 327.453 3.451 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422787513 309368201 /nfs/dbraw/zinc/36/82/01/309368201.db2.gz RKWVOPFDQBNLPG-KBXCAEBGSA-N 2 2 327.428 3.113 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000422816345 309369863 /nfs/dbraw/zinc/36/98/63/309369863.db2.gz ZQWHYHIFVITMPL-QINHECLXSA-N 2 2 325.456 3.166 20 0 EGADLP COc1ccc(-c2csc(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)c2)cc1 ZINC000422817278 309370065 /nfs/dbraw/zinc/37/00/65/309370065.db2.gz CRWPIJVRCOTNBZ-YOEHRIQHSA-N 2 2 346.496 3.280 20 0 EGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1ccc(Cl)cc1Cl ZINC000422828935 309370742 /nfs/dbraw/zinc/37/07/42/309370742.db2.gz UEFBUOVBANTYDW-DOMZBBRYSA-N 2 2 331.287 3.283 20 0 EGADLP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000422845689 309371886 /nfs/dbraw/zinc/37/18/86/309371886.db2.gz OQBIJEDXEQDQCK-ATZDWAIDSA-N 2 2 335.923 3.455 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422906945 309375524 /nfs/dbraw/zinc/37/55/24/309375524.db2.gz KQEKFBNWHRDKKG-CZUORRHYSA-N 2 2 344.421 3.340 20 0 EGADLP CC(C)(C)c1nnc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC000422924060 309376338 /nfs/dbraw/zinc/37/63/38/309376338.db2.gz ALLIRTITPCZIHU-GJZGRUSLSA-N 2 2 330.501 3.419 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000422956417 309377998 /nfs/dbraw/zinc/37/79/98/309377998.db2.gz LCJNEFJGPNJTND-IIAWOOMASA-N 2 2 331.485 3.228 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996518 309379957 /nfs/dbraw/zinc/37/99/57/309379957.db2.gz MJZPKDCKLMCVRO-GIVPXCGWSA-N 3 2 329.532 3.437 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422996518 309379958 /nfs/dbraw/zinc/37/99/58/309379958.db2.gz MJZPKDCKLMCVRO-GIVPXCGWSA-N 3 2 329.532 3.437 20 0 EGADLP [NH3+][C@H]1CCC[C@H]1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423039049 309382428 /nfs/dbraw/zinc/38/24/28/309382428.db2.gz ZYWLOEODQOGACV-DLBZAZTESA-N 2 2 342.314 3.427 20 0 EGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423048088 309382934 /nfs/dbraw/zinc/38/29/34/309382934.db2.gz HQOQGUZACVIKIN-CXAGYDPISA-N 2 2 342.874 3.275 20 0 EGADLP C[C@@H]([NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C1C[NH2+]C1 ZINC000423053502 309383281 /nfs/dbraw/zinc/38/32/81/309383281.db2.gz SQFLXGRRVRMCKL-HIFRSBDPSA-N 2 2 327.497 3.113 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1cccc(Cl)c1F ZINC000423056525 309383559 /nfs/dbraw/zinc/38/35/59/309383559.db2.gz YDZUAVJAGJVMLB-QWHCGFSZSA-N 2 2 328.859 3.113 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423071061 309384526 /nfs/dbraw/zinc/38/45/26/309384526.db2.gz NXVNJHXUECSZEI-XJKSGUPXSA-N 2 2 344.421 3.340 20 0 EGADLP C[C@H]([NH2+][C@@H]1CSc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000423083073 309384977 /nfs/dbraw/zinc/38/49/77/309384977.db2.gz GDJWXWSLTVYSSP-TVYUQYBPSA-N 2 2 327.291 3.326 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423161713 309388803 /nfs/dbraw/zinc/38/88/03/309388803.db2.gz ODMHADMNLGXNPM-HNAYVOBHSA-N 2 2 338.430 3.060 20 0 EGADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177605 309389396 /nfs/dbraw/zinc/38/93/96/309389396.db2.gz AYLSVSJYDNCWBY-HZMBPMFUSA-N 2 2 329.669 3.431 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188647 309389684 /nfs/dbraw/zinc/38/96/84/309389684.db2.gz LYAGSXOMFZMMHI-WOZUAGRISA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423188647 309389685 /nfs/dbraw/zinc/38/96/85/309389685.db2.gz LYAGSXOMFZMMHI-WOZUAGRISA-N 3 2 327.516 3.019 20 0 EGADLP COc1ccc(C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423197574 309390016 /nfs/dbraw/zinc/39/00/16/309390016.db2.gz ZXGARCLWDONDTP-GHTZIAJQSA-N 2 2 340.467 3.329 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423210958 309390422 /nfs/dbraw/zinc/39/04/22/309390422.db2.gz GUKVLXNOYTZGKU-KCQAQPDRSA-N 2 2 347.894 3.268 20 0 EGADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423267667 309393126 /nfs/dbraw/zinc/39/31/26/309393126.db2.gz DAEGGXNDWHVQRD-INIZCTEOSA-N 2 2 331.504 3.351 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(Br)c1 ZINC000423267116 309393263 /nfs/dbraw/zinc/39/32/63/309393263.db2.gz SQOCMKFHIGAUFT-VXGBXAGGSA-N 2 2 329.282 3.482 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cc(C)ccn2)cc1 ZINC000423324026 309395065 /nfs/dbraw/zinc/39/50/65/309395065.db2.gz HTWJRRZTZCQGBJ-BPAFIMBUSA-N 2 2 325.456 3.195 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320791 309395095 /nfs/dbraw/zinc/39/50/95/309395095.db2.gz DSSBDUKPMGOYGG-SUMWQHHRSA-N 2 2 344.484 3.014 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])c3cscn3)cc2)C1 ZINC000423320791 309395096 /nfs/dbraw/zinc/39/50/96/309395096.db2.gz DSSBDUKPMGOYGG-SUMWQHHRSA-N 2 2 344.484 3.014 20 0 EGADLP CC(C)[C@@H](C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H](C)[NH3+] ZINC000423336440 309395684 /nfs/dbraw/zinc/39/56/84/309395684.db2.gz GXTGKQJUXWVVAY-KBXCAEBGSA-N 2 2 340.471 3.444 20 0 EGADLP Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423344796 309396355 /nfs/dbraw/zinc/39/63/55/309396355.db2.gz YCCLKVBSDONAFX-SCLBCKFNSA-N 2 2 347.894 3.269 20 0 EGADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(Br)c1 ZINC000423367114 309397365 /nfs/dbraw/zinc/39/73/65/309397365.db2.gz CYENMYZAHXZCEV-SDDRHHMPSA-N 2 2 327.266 3.249 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000423370923 309397613 /nfs/dbraw/zinc/39/76/13/309397613.db2.gz QBPYHGFKOOBNES-XGINMYPSSA-N 2 2 332.394 3.467 20 0 EGADLP COC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423378874 309397686 /nfs/dbraw/zinc/39/76/86/309397686.db2.gz WWPDFLLEALXJQX-RLFYNMQTSA-N 2 2 326.431 3.061 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1I ZINC000423376169 309397859 /nfs/dbraw/zinc/39/78/59/309397859.db2.gz KTLZPKFBOGDICP-GRYCIOLGSA-N 2 2 344.240 3.082 20 0 EGADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423391042 309398431 /nfs/dbraw/zinc/39/84/31/309398431.db2.gz PBNSCBYBNPPMSW-MOPGFXCFSA-N 2 2 341.503 3.086 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc(Br)c1 ZINC000423410410 309399077 /nfs/dbraw/zinc/39/90/77/309399077.db2.gz AFCDXTSYMJCQRQ-CVEARBPZSA-N 2 2 341.293 3.258 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CCC[NH2+]1 ZINC000423422312 309399674 /nfs/dbraw/zinc/39/96/74/309399674.db2.gz KKCUGXDQUFDKGJ-WMZOPIPTSA-N 2 2 338.879 3.220 20 0 EGADLP Cn1c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2[nH+]c1C1CC1 ZINC000423804673 309413656 /nfs/dbraw/zinc/41/36/56/309413656.db2.gz CGCXNBYLETXVTP-LQDVMPOASA-N 2 2 338.455 3.310 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc3c(c1)OC(F)(F)O3)CCC2 ZINC000424146654 309430848 /nfs/dbraw/zinc/43/08/48/309430848.db2.gz PXMDNHYBSOLTED-ZDUSSCGKSA-N 2 2 335.354 3.180 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000424277150 309436022 /nfs/dbraw/zinc/43/60/22/309436022.db2.gz BMYHEYFLJQWDMK-ZIAGYGMSSA-N 2 2 326.868 3.110 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cs2)c1OC ZINC000424329526 309439106 /nfs/dbraw/zinc/43/91/06/309439106.db2.gz GTNRQIGQOXJFPA-HUUCEWRRSA-N 2 2 347.484 3.187 20 0 EGADLP COc1cccc(-c2nc(C[NH2+][C@](C)(C[NH3+])C3CC3)cs2)c1OC ZINC000430573128 309611407 /nfs/dbraw/zinc/61/14/07/309611407.db2.gz GQVFGEJUHPFHLK-GOSISDBHSA-N 2 2 347.484 3.044 20 0 EGADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000431413870 309632318 /nfs/dbraw/zinc/63/23/18/309632318.db2.gz JPIALPLLYDSFGR-INIZCTEOSA-N 2 2 348.372 3.127 20 0 EGADLP Cn1cc[nH+]c1CN(Cc1ccccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000435427313 309732563 /nfs/dbraw/zinc/73/25/63/309732563.db2.gz MGLKWFZRSZMLGQ-KRWDZBQOSA-N 2 2 344.890 3.218 20 0 EGADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCSC1 ZINC000448364383 310002911 /nfs/dbraw/zinc/00/29/11/310002911.db2.gz UAYZZFXEBWEJSA-CQSZACIVSA-N 2 2 337.514 3.278 20 0 EGADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCCSC1 ZINC000448364383 310002912 /nfs/dbraw/zinc/00/29/12/310002912.db2.gz UAYZZFXEBWEJSA-CQSZACIVSA-N 2 2 337.514 3.278 20 0 EGADLP c1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCCCO2 ZINC000449029223 310030992 /nfs/dbraw/zinc/03/09/92/310030992.db2.gz NZKXYNXEHYHLKK-GOSISDBHSA-N 2 2 330.472 3.156 20 0 EGADLP c1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCCCO2 ZINC000449029223 310030993 /nfs/dbraw/zinc/03/09/93/310030993.db2.gz NZKXYNXEHYHLKK-GOSISDBHSA-N 2 2 330.472 3.156 20 0 EGADLP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000449074155 310034874 /nfs/dbraw/zinc/03/48/74/310034874.db2.gz OZROBBWFTWHBES-GJZGRUSLSA-N 2 2 345.512 3.351 20 0 EGADLP COc1cc2ccccc2cc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000449221253 310045590 /nfs/dbraw/zinc/04/55/90/310045590.db2.gz GEPFIXFIXLAJGD-MRXNPFEDSA-N 2 2 328.456 3.049 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000449325189 310053593 /nfs/dbraw/zinc/05/35/93/310053593.db2.gz KSRJMGCAMAUSPJ-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000449325189 310053594 /nfs/dbraw/zinc/05/35/94/310053594.db2.gz KSRJMGCAMAUSPJ-GFCCVEGCSA-N 2 2 338.224 3.311 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000449359559 310056478 /nfs/dbraw/zinc/05/64/78/310056478.db2.gz GOPCDCYGYQUERQ-AWEZNQCLSA-N 2 2 326.444 3.429 20 0 EGADLP Cn1nnc2cc(C[NH2+]CC3([N@H+](C)Cc4ccccc4)CCC3)ccc21 ZINC000449473292 310065047 /nfs/dbraw/zinc/06/50/47/310065047.db2.gz HNAAZRGPIDAYIG-UHFFFAOYSA-N 2 2 349.482 3.113 20 0 EGADLP Cn1nnc2cc(C[NH2+]CC3([N@@H+](C)Cc4ccccc4)CCC3)ccc21 ZINC000449473292 310065048 /nfs/dbraw/zinc/06/50/48/310065048.db2.gz HNAAZRGPIDAYIG-UHFFFAOYSA-N 2 2 349.482 3.113 20 0 EGADLP CC(C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCO1 ZINC000449489511 310066360 /nfs/dbraw/zinc/06/63/60/310066360.db2.gz AFUKCULKOUTZIG-FXAWDEMLSA-N 2 2 331.504 3.087 20 0 EGADLP [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000449714879 310082151 /nfs/dbraw/zinc/08/21/51/310082151.db2.gz AIXWHMMXTKVKGZ-JSGCOSHPSA-N 2 2 345.830 3.385 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780527 310086702 /nfs/dbraw/zinc/08/67/02/310086702.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780527 310086703 /nfs/dbraw/zinc/08/67/03/310086703.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780527 310086704 /nfs/dbraw/zinc/08/67/04/310086704.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780527 310086705 /nfs/dbraw/zinc/08/67/05/310086705.db2.gz GFSKAAQRFXXVGL-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780528 310086824 /nfs/dbraw/zinc/08/68/24/310086824.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000449780528 310086825 /nfs/dbraw/zinc/08/68/25/310086825.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449780528 310086826 /nfs/dbraw/zinc/08/68/26/310086826.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+]1CCCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449780528 310086827 /nfs/dbraw/zinc/08/68/27/310086827.db2.gz GFSKAAQRFXXVGL-UYAOXDASSA-N 3 2 329.532 3.361 20 0 EGADLP CC(C)n1cc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449787144 310087285 /nfs/dbraw/zinc/08/72/85/310087285.db2.gz STRBSTCJYIDTIZ-UHFFFAOYSA-N 2 2 332.414 3.313 20 0 EGADLP CC(C)n1cc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449787144 310087286 /nfs/dbraw/zinc/08/72/86/310087286.db2.gz STRBSTCJYIDTIZ-UHFFFAOYSA-N 2 2 332.414 3.313 20 0 EGADLP COc1cccc2c1cc[nH+]c2N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000450389926 310119764 /nfs/dbraw/zinc/11/97/64/310119764.db2.gz KWJQGKQWWAPAOT-OAHLLOKOSA-N 2 2 336.439 3.436 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000450632153 310133919 /nfs/dbraw/zinc/13/39/19/310133919.db2.gz LMSXDSQPCIBAMQ-MRXNPFEDSA-N 2 2 325.456 3.416 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000450632153 310133920 /nfs/dbraw/zinc/13/39/20/310133920.db2.gz LMSXDSQPCIBAMQ-MRXNPFEDSA-N 2 2 325.456 3.416 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450769935 310141806 /nfs/dbraw/zinc/14/18/06/310141806.db2.gz YVVCISBQSNMQDC-GDBMZVCRSA-N 2 2 346.441 3.436 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000453097368 310257772 /nfs/dbraw/zinc/25/77/72/310257772.db2.gz XYJZNJHBAYRTRF-QGZVFWFLSA-N 3 2 344.528 3.314 20 0 EGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453196024 310263292 /nfs/dbraw/zinc/26/32/92/310263292.db2.gz LBLRURKOCJZXTA-PXNSSMCTSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453196024 310263293 /nfs/dbraw/zinc/26/32/93/310263293.db2.gz LBLRURKOCJZXTA-PXNSSMCTSA-N 2 2 326.488 3.154 20 0 EGADLP CC[NH+](CC)[C@H](C)CN[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000453214427 310264540 /nfs/dbraw/zinc/26/45/40/310264540.db2.gz JSYXKPHBEODYTI-PBHICJAKSA-N 2 2 334.895 3.483 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453253704 310266983 /nfs/dbraw/zinc/26/69/83/310266983.db2.gz CXDWBVYMOZLYDM-OXQOHEQNSA-N 2 2 341.499 3.290 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453253704 310266984 /nfs/dbraw/zinc/26/69/84/310266984.db2.gz CXDWBVYMOZLYDM-OXQOHEQNSA-N 2 2 341.499 3.290 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453254374 310267105 /nfs/dbraw/zinc/26/71/05/310267105.db2.gz DORLCALAKFVTIG-FXAWDEMLSA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453254374 310267106 /nfs/dbraw/zinc/26/71/06/310267106.db2.gz DORLCALAKFVTIG-FXAWDEMLSA-N 2 2 346.515 3.460 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264410 310267810 /nfs/dbraw/zinc/26/78/10/310267810.db2.gz MWKJMSSVDRDXJY-NVXWUHKLSA-N 2 2 340.895 3.236 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cc(Cl)ccc1OC ZINC000453264410 310267811 /nfs/dbraw/zinc/26/78/11/310267811.db2.gz MWKJMSSVDRDXJY-NVXWUHKLSA-N 2 2 340.895 3.236 20 0 EGADLP CC(C)(C[NH+]1CCCC1)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000457055604 310434773 /nfs/dbraw/zinc/43/47/73/310434773.db2.gz SISGLMOLXWHRQC-UHFFFAOYSA-N 2 2 339.439 3.478 20 0 EGADLP CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000479071324 310868557 /nfs/dbraw/zinc/86/85/57/310868557.db2.gz RAXDAEPMQSECSF-KSSFIOAISA-N 2 2 326.431 3.220 20 0 EGADLP CC[N@@H+](Cc1cc(C)n(C)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487392811 311021806 /nfs/dbraw/zinc/02/18/06/311021806.db2.gz HXYKSERSCMFQAN-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cc(C)n(C)n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487392811 311021807 /nfs/dbraw/zinc/02/18/07/311021807.db2.gz HXYKSERSCMFQAN-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)n(C)n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487392811 311021809 /nfs/dbraw/zinc/02/18/09/311021809.db2.gz HXYKSERSCMFQAN-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)n(C)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487392811 311021810 /nfs/dbraw/zinc/02/18/10/311021810.db2.gz HXYKSERSCMFQAN-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC(C)[C@@H]1C[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CS1 ZINC000488461080 311066860 /nfs/dbraw/zinc/06/68/60/311066860.db2.gz KSPZDCLYSZKSFW-XIRDDKMYSA-N 2 2 334.533 3.164 20 0 EGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000490136221 311133901 /nfs/dbraw/zinc/13/39/01/311133901.db2.gz LBGDRYCJOOVXPE-IRLDBZIGSA-N 2 2 338.495 3.439 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C[NH+](C)C ZINC000491590326 311186062 /nfs/dbraw/zinc/18/60/62/311186062.db2.gz ZBZMOKAAACVNPP-RHSMWYFYSA-N 2 2 340.895 3.185 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000491967718 311203790 /nfs/dbraw/zinc/20/37/90/311203790.db2.gz WWZWMKGEFSYQJK-UUEFOYDDSA-N 2 2 340.471 3.032 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000492400752 311246286 /nfs/dbraw/zinc/24/62/86/311246286.db2.gz SXERCNFNCKOEHH-DOTOQJQBSA-N 2 2 344.528 3.314 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000492400752 311246287 /nfs/dbraw/zinc/24/62/87/311246287.db2.gz SXERCNFNCKOEHH-DOTOQJQBSA-N 2 2 344.528 3.314 20 0 EGADLP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000496593095 311735367 /nfs/dbraw/zinc/73/53/67/311735367.db2.gz VCZUJNZUHCESKF-HUUCEWRRSA-N 2 2 344.459 3.117 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506471590 312049606 /nfs/dbraw/zinc/04/96/06/312049606.db2.gz DNLBNVWEGLOVRO-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506471590 312049608 /nfs/dbraw/zinc/04/96/08/312049608.db2.gz DNLBNVWEGLOVRO-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506471590 312049611 /nfs/dbraw/zinc/04/96/11/312049611.db2.gz DNLBNVWEGLOVRO-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506471590 312049612 /nfs/dbraw/zinc/04/96/12/312049612.db2.gz DNLBNVWEGLOVRO-OKZBNKHCSA-N 2 2 337.552 3.266 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000512176053 312178078 /nfs/dbraw/zinc/17/80/78/312178078.db2.gz AVTLGMCYGNSAHU-KRWDZBQOSA-N 2 2 330.472 3.359 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000512176053 312178080 /nfs/dbraw/zinc/17/80/80/312178080.db2.gz AVTLGMCYGNSAHU-KRWDZBQOSA-N 2 2 330.472 3.359 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000513502823 312212013 /nfs/dbraw/zinc/21/20/13/312212013.db2.gz GLESRQRCPCCYCW-VGOFRKELSA-N 2 2 338.495 3.319 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000513502823 312212016 /nfs/dbraw/zinc/21/20/16/312212016.db2.gz GLESRQRCPCCYCW-VGOFRKELSA-N 2 2 338.495 3.319 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(C(C)C)n2ccccc12 ZINC000517575204 312384391 /nfs/dbraw/zinc/38/43/91/312384391.db2.gz WRWPJLXOTVHQIB-UHFFFAOYSA-N 2 2 325.460 3.485 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(C(C)C)n2ccccc12 ZINC000517575204 312384394 /nfs/dbraw/zinc/38/43/94/312384394.db2.gz WRWPJLXOTVHQIB-UHFFFAOYSA-N 2 2 325.460 3.485 20 0 EGADLP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000518393727 312415288 /nfs/dbraw/zinc/41/52/88/312415288.db2.gz IXDIJGBJGROZSW-UHFFFAOYSA-N 2 2 335.398 3.174 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[NH2+][C@@H]4C)cc3)[nH+]c12 ZINC000521230756 312538273 /nfs/dbraw/zinc/53/82/73/312538273.db2.gz OUWYCKWUIFADKE-RHSMWYFYSA-N 2 2 334.423 3.246 20 0 EGADLP CC(C)Oc1ccccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726431 313156863 /nfs/dbraw/zinc/15/68/63/313156863.db2.gz ATAXYQCLNUECEA-UHFFFAOYSA-N 2 2 332.488 3.161 20 0 EGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000534324232 313971900 /nfs/dbraw/zinc/97/19/00/313971900.db2.gz XVIYSBMFVJCIIH-UHFFFAOYSA-N 2 2 340.471 3.024 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)c[nH+]1 ZINC000535774478 314072408 /nfs/dbraw/zinc/07/24/08/314072408.db2.gz BETQWYNAWOAREO-KRWDZBQOSA-N 2 2 342.443 3.062 20 0 EGADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCOCC1 ZINC000536840277 314148979 /nfs/dbraw/zinc/14/89/79/314148979.db2.gz QYNDRVKJOTZNLK-OXJNMPFZSA-N 2 2 331.504 3.402 20 0 EGADLP CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C)[C@H]1CCOC1 ZINC000537408107 314179241 /nfs/dbraw/zinc/17/92/41/314179241.db2.gz QWLROPAVEFIMEE-PKOBYXMFSA-N 2 2 331.504 3.364 20 0 EGADLP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000538179192 314230831 /nfs/dbraw/zinc/23/08/31/314230831.db2.gz LJIQOMKMLCUEMR-OVQGTLEDSA-N 2 2 348.531 3.224 20 0 EGADLP CCC(CC)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000538179192 314230834 /nfs/dbraw/zinc/23/08/34/314230834.db2.gz LJIQOMKMLCUEMR-OVQGTLEDSA-N 2 2 348.531 3.224 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547654731 314922636 /nfs/dbraw/zinc/92/26/36/314922636.db2.gz OLSZTYALZHUKIQ-HOTGVXAUSA-N 2 2 340.471 3.328 20 0 EGADLP CSc1ccc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)cc1 ZINC000549286234 315085738 /nfs/dbraw/zinc/08/57/38/315085738.db2.gz RPVKWPSIDRJHCQ-QGZVFWFLSA-N 2 2 326.469 3.422 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000550860261 315136687 /nfs/dbraw/zinc/13/66/87/315136687.db2.gz HSDAJSBCMOPAFI-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000550860261 315136690 /nfs/dbraw/zinc/13/66/90/315136690.db2.gz HSDAJSBCMOPAFI-IAQYHMDHSA-N 2 2 329.257 3.408 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCC2)c(C)c1OC ZINC000552223218 315207218 /nfs/dbraw/zinc/20/72/18/315207218.db2.gz GBJQXTQJDBUNRE-CVEARBPZSA-N 2 2 334.504 3.407 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320966 315213202 /nfs/dbraw/zinc/21/32/02/315213202.db2.gz IINIEXHMIVYAPN-OZOSWLFCSA-N 2 2 336.426 3.337 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000552320966 315213205 /nfs/dbraw/zinc/21/32/05/315213205.db2.gz IINIEXHMIVYAPN-OZOSWLFCSA-N 2 2 336.426 3.337 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536736 315224138 /nfs/dbraw/zinc/22/41/38/315224138.db2.gz RSBJKNWFALTLGY-MLGOLLRUSA-N 2 2 328.378 3.157 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000552536736 315224143 /nfs/dbraw/zinc/22/41/43/315224143.db2.gz RSBJKNWFALTLGY-MLGOLLRUSA-N 2 2 328.378 3.157 20 0 EGADLP C[NH+](C)CCCCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000557043995 315492681 /nfs/dbraw/zinc/49/26/81/315492681.db2.gz BSPIGGTZTRJUNY-UHFFFAOYSA-N 2 2 328.460 3.433 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868797 454726576 /nfs/dbraw/zinc/72/65/76/454726576.db2.gz QKDQRZDNSQHWCV-LSDHHAIUSA-N 2 2 339.277 3.174 20 0 EGADLP COc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868797 454726581 /nfs/dbraw/zinc/72/65/81/454726581.db2.gz QKDQRZDNSQHWCV-LSDHHAIUSA-N 2 2 339.277 3.174 20 0 EGADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000563765646 316065892 /nfs/dbraw/zinc/06/58/92/316065892.db2.gz GOHIMCZAXCZNQV-ROUUACIJSA-N 2 2 337.552 3.301 20 0 EGADLP CC(C)(C)[C@H](CCC1CCCC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000563765646 316065896 /nfs/dbraw/zinc/06/58/96/316065896.db2.gz GOHIMCZAXCZNQV-ROUUACIJSA-N 2 2 337.552 3.301 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952614 316096266 /nfs/dbraw/zinc/09/62/66/316096266.db2.gz NBXIBEUJRJIOHC-SFHVURJKSA-N 2 2 342.508 3.383 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC000563952614 316096269 /nfs/dbraw/zinc/09/62/69/316096269.db2.gz NBXIBEUJRJIOHC-SFHVURJKSA-N 2 2 342.508 3.383 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCC(F)(F)C3)c2cc1C ZINC000564320006 316135942 /nfs/dbraw/zinc/13/59/42/316135942.db2.gz SOGALTWCWDRILV-LSDHHAIUSA-N 2 2 337.414 3.039 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459656 316155506 /nfs/dbraw/zinc/15/55/06/316155506.db2.gz LVBSBGUUTNKGSX-BJLQDIEVSA-N 2 2 345.531 3.285 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459656 316155509 /nfs/dbraw/zinc/15/55/09/316155509.db2.gz LVBSBGUUTNKGSX-BJLQDIEVSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459656 316155511 /nfs/dbraw/zinc/15/55/11/316155511.db2.gz LVBSBGUUTNKGSX-BJLQDIEVSA-N 2 2 345.531 3.285 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000564459656 316155514 /nfs/dbraw/zinc/15/55/14/316155514.db2.gz LVBSBGUUTNKGSX-BJLQDIEVSA-N 2 2 345.531 3.285 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC4(CCCO4)CC3)[nH+]c2)C1 ZINC000564748235 316198314 /nfs/dbraw/zinc/19/83/14/316198314.db2.gz RTQNMAXEFITTNS-KGXSXCIVSA-N 2 2 344.503 3.126 20 0 EGADLP O=C(CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)Nc1cccc(Cl)c1 ZINC000564863157 316221386 /nfs/dbraw/zinc/22/13/86/316221386.db2.gz FPUWJSPTJUFVGX-KRWDZBQOSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)Nc1cccc(Cl)c1 ZINC000564863157 316221391 /nfs/dbraw/zinc/22/13/91/316221391.db2.gz FPUWJSPTJUFVGX-KRWDZBQOSA-N 2 2 335.879 3.275 20 0 EGADLP CC(C)[NH2+]CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000565032824 316252871 /nfs/dbraw/zinc/25/28/71/316252871.db2.gz VMFYIVMOVXXUAB-UHFFFAOYSA-N 2 2 326.444 3.213 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ncccc12 ZINC000565228914 316295136 /nfs/dbraw/zinc/29/51/36/316295136.db2.gz JFJPSROTVQOCRG-QGZVFWFLSA-N 2 2 343.446 3.061 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ncccc12 ZINC000565228914 316295142 /nfs/dbraw/zinc/29/51/42/316295142.db2.gz JFJPSROTVQOCRG-QGZVFWFLSA-N 2 2 343.446 3.061 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)n1C ZINC000565242262 316297914 /nfs/dbraw/zinc/29/79/14/316297914.db2.gz MCUBICXHBVWAHA-UHFFFAOYSA-N 3 2 338.455 3.243 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1C ZINC000565242262 316297918 /nfs/dbraw/zinc/29/79/18/316297918.db2.gz MCUBICXHBVWAHA-UHFFFAOYSA-N 3 2 338.455 3.243 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)cc(Br)c2)n1C ZINC000565242365 316298426 /nfs/dbraw/zinc/29/84/26/316298426.db2.gz NKDQZYXRRYPDSQ-UHFFFAOYSA-N 2 2 328.641 3.434 20 0 EGADLP COC(=O)[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000566055065 316408546 /nfs/dbraw/zinc/40/85/46/316408546.db2.gz KZOQOAMWVIAQRX-FQEVSTJZSA-N 2 2 330.472 3.104 20 0 EGADLP CCc1noc(C2CCC([NH2+][C@@H](C)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000567628088 316646532 /nfs/dbraw/zinc/64/65/32/316646532.db2.gz JJCANXBGUWEGSH-GTPINHCMSA-N 2 2 334.508 3.368 20 0 EGADLP CC(C)c1nc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc(C(C)(C)C)[nH+]1 ZINC000570232923 317025755 /nfs/dbraw/zinc/02/57/55/317025755.db2.gz GWTAYYDFFXIQBJ-CVEARBPZSA-N 2 2 346.519 3.197 20 0 EGADLP COC(=O)c1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000570906561 317124418 /nfs/dbraw/zinc/12/44/18/317124418.db2.gz DLNISULCKYZNLB-UHFFFAOYSA-N 2 2 331.441 3.006 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571030605 317141702 /nfs/dbraw/zinc/14/17/02/317141702.db2.gz HEMLGINZCTXPTG-HSALFYBXSA-N 2 2 338.499 3.310 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571030605 317141704 /nfs/dbraw/zinc/14/17/04/317141704.db2.gz HEMLGINZCTXPTG-HSALFYBXSA-N 2 2 338.499 3.310 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000571030600 317141761 /nfs/dbraw/zinc/14/17/61/317141761.db2.gz HEMLGINZCTXPTG-AABGKKOBSA-N 2 2 338.499 3.310 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571030600 317141763 /nfs/dbraw/zinc/14/17/63/317141763.db2.gz HEMLGINZCTXPTG-AABGKKOBSA-N 2 2 338.499 3.310 20 0 EGADLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)cc1 ZINC000571752165 317241757 /nfs/dbraw/zinc/24/17/57/317241757.db2.gz BUYGEUFVZREXPJ-RHSMWYFYSA-N 2 2 341.846 3.033 20 0 EGADLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)cc1 ZINC000571752165 317241760 /nfs/dbraw/zinc/24/17/60/317241760.db2.gz BUYGEUFVZREXPJ-RHSMWYFYSA-N 2 2 341.846 3.033 20 0 EGADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571773998 317246634 /nfs/dbraw/zinc/24/66/34/317246634.db2.gz FISKXMAXSWZSQV-KRWDZBQOSA-N 2 2 348.878 3.044 20 0 EGADLP Cc1cc(C)c(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c(C)[nH+]1 ZINC000572102037 317291217 /nfs/dbraw/zinc/29/12/17/317291217.db2.gz JKHMXXJXZFDQHU-KRWDZBQOSA-N 2 2 330.476 3.249 20 0 EGADLP Fc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1F ZINC000390711948 324283153 /nfs/dbraw/zinc/28/31/53/324283153.db2.gz IHPOLXDRYCSSIV-GOSISDBHSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1F ZINC000390711948 324283154 /nfs/dbraw/zinc/28/31/54/324283154.db2.gz IHPOLXDRYCSSIV-GOSISDBHSA-N 2 2 346.421 3.346 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387807 /nfs/dbraw/zinc/38/78/07/324387807.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387809 /nfs/dbraw/zinc/38/78/09/324387809.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387814 /nfs/dbraw/zinc/38/78/14/324387814.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512652953 324387820 /nfs/dbraw/zinc/38/78/20/324387820.db2.gz CCKWYDZRVJZHAE-DXBBTUNJSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1cc[nH+]cc1N1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000578777859 325017470 /nfs/dbraw/zinc/01/74/70/325017470.db2.gz ZXXOJDQROOZEOX-UHFFFAOYSA-N 2 2 349.482 3.483 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000580080921 325201172 /nfs/dbraw/zinc/20/11/72/325201172.db2.gz WXCLODQSPGNOSH-DLBZAZTESA-N 2 2 340.471 3.176 20 0 EGADLP O[C@H](C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000580934360 325310514 /nfs/dbraw/zinc/31/05/14/325310514.db2.gz RRTLPUMENWZMHV-ZWKOTPCHSA-N 2 2 348.487 3.217 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)c1ccncc1 ZINC000581233131 325343688 /nfs/dbraw/zinc/34/36/88/325343688.db2.gz WQCJZWAHTBQLSR-QZTJIDSGSA-N 2 2 338.455 3.150 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180702782 455230521 /nfs/dbraw/zinc/23/05/21/455230521.db2.gz AZHWCDWHTMSSOZ-BQFCYCMXSA-N 2 2 347.503 3.002 20 0 EGADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000180702782 455230524 /nfs/dbraw/zinc/23/05/24/455230524.db2.gz AZHWCDWHTMSSOZ-BQFCYCMXSA-N 2 2 347.503 3.002 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429556864 458343740 /nfs/dbraw/zinc/34/37/40/458343740.db2.gz ZDHHZWYWUNPLCC-IBGZPJMESA-N 2 2 339.568 3.323 20 0 EGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183171996 455243895 /nfs/dbraw/zinc/24/38/95/455243895.db2.gz XEQHJBMLJNEWBZ-UHFFFAOYSA-N 3 2 326.488 3.117 20 0 EGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183171996 455243897 /nfs/dbraw/zinc/24/38/97/455243897.db2.gz XEQHJBMLJNEWBZ-UHFFFAOYSA-N 3 2 326.488 3.117 20 0 EGADLP C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000264731225 455271309 /nfs/dbraw/zinc/27/13/09/455271309.db2.gz BYANSXFQPWTFNP-OAHLLOKOSA-N 2 2 326.400 3.090 20 0 EGADLP C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000264731225 455271311 /nfs/dbraw/zinc/27/13/11/455271311.db2.gz BYANSXFQPWTFNP-OAHLLOKOSA-N 2 2 326.400 3.090 20 0 EGADLP COc1cccc(-c2nc(C[N@H+](C3CC3)C3CC[NH2+]CC3)co2)c1 ZINC000631821123 460573655 /nfs/dbraw/zinc/57/36/55/460573655.db2.gz PMIYKSGHVIYZMR-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)co2)c1 ZINC000631821123 460573660 /nfs/dbraw/zinc/57/36/60/460573660.db2.gz PMIYKSGHVIYZMR-UHFFFAOYSA-N 2 2 327.428 3.067 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000631827124 460574742 /nfs/dbraw/zinc/57/47/42/460574742.db2.gz GASAUUXHKAMENJ-APWZRJJASA-N 2 2 341.455 3.314 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000631827124 460574746 /nfs/dbraw/zinc/57/47/46/460574746.db2.gz GASAUUXHKAMENJ-APWZRJJASA-N 2 2 341.455 3.314 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245590726 455336264 /nfs/dbraw/zinc/33/62/64/455336264.db2.gz KQBCXPAXZGVMJL-KXBFYZLASA-N 2 2 342.487 3.477 20 0 EGADLP CCCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000245590726 455336267 /nfs/dbraw/zinc/33/62/67/455336267.db2.gz KQBCXPAXZGVMJL-KXBFYZLASA-N 2 2 342.487 3.477 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245591965 455336293 /nfs/dbraw/zinc/33/62/93/455336293.db2.gz KWJHMGIOZNQNDB-LNLFQRSKSA-N 2 2 340.471 3.208 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245591965 455336297 /nfs/dbraw/zinc/33/62/97/455336297.db2.gz KWJHMGIOZNQNDB-LNLFQRSKSA-N 2 2 340.471 3.208 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882437 455337836 /nfs/dbraw/zinc/33/78/36/455337836.db2.gz RYAXXOZTJPIXNI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882437 455337841 /nfs/dbraw/zinc/33/78/41/455337841.db2.gz RYAXXOZTJPIXNI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882437 455337845 /nfs/dbraw/zinc/33/78/45/455337845.db2.gz RYAXXOZTJPIXNI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000173882437 455337849 /nfs/dbraw/zinc/33/78/49/455337849.db2.gz RYAXXOZTJPIXNI-JKSUJKDBSA-N 2 2 328.460 3.380 20 0 EGADLP Fc1ccccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000012883729 453420429 /nfs/dbraw/zinc/42/04/29/453420429.db2.gz XATSXHSATAGTDO-UHFFFAOYSA-N 2 2 336.414 3.334 20 0 EGADLP C[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000024050467 453723483 /nfs/dbraw/zinc/72/34/83/453723483.db2.gz AGHRFGXLVOPBQW-UHFFFAOYSA-N 2 2 348.450 3.124 20 0 EGADLP C[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000024050467 453723486 /nfs/dbraw/zinc/72/34/86/453723486.db2.gz AGHRFGXLVOPBQW-UHFFFAOYSA-N 2 2 348.450 3.124 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075103990 453861295 /nfs/dbraw/zinc/86/12/95/453861295.db2.gz KQMWRGGZKNSCEH-MYYSRTQBSA-N 2 2 339.464 3.461 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569753 453888560 /nfs/dbraw/zinc/88/85/60/453888560.db2.gz VQVPYHBRFDSIOS-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569753 453888563 /nfs/dbraw/zinc/88/85/63/453888563.db2.gz VQVPYHBRFDSIOS-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569753 453888565 /nfs/dbraw/zinc/88/85/65/453888565.db2.gz VQVPYHBRFDSIOS-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000081569753 453888566 /nfs/dbraw/zinc/88/85/66/453888566.db2.gz VQVPYHBRFDSIOS-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572438 453889245 /nfs/dbraw/zinc/88/92/45/453889245.db2.gz VOTYNJXXCODKPS-PKOBYXMFSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572438 453889249 /nfs/dbraw/zinc/88/92/49/453889249.db2.gz VOTYNJXXCODKPS-PKOBYXMFSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572438 453889252 /nfs/dbraw/zinc/88/92/52/453889252.db2.gz VOTYNJXXCODKPS-PKOBYXMFSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000081572438 453889256 /nfs/dbraw/zinc/88/92/56/453889256.db2.gz VOTYNJXXCODKPS-PKOBYXMFSA-N 2 2 345.531 3.090 20 0 EGADLP COc1cc2c(cc1C[NH2+]C1CC[NH+](CC(C)C)CC1)O[C@H](C)C2 ZINC000075760922 453924767 /nfs/dbraw/zinc/92/47/67/453924767.db2.gz DMWBNJXSYRLFSZ-OAHLLOKOSA-N 2 2 332.488 3.229 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069294 453955811 /nfs/dbraw/zinc/95/58/11/453955811.db2.gz ZQJUCOCEKWHPDU-ZETOZRRWSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069294 453955813 /nfs/dbraw/zinc/95/58/13/453955813.db2.gz ZQJUCOCEKWHPDU-ZETOZRRWSA-N 2 2 329.257 3.407 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000041119717 453956854 /nfs/dbraw/zinc/95/68/54/453956854.db2.gz JPJNDRPRJKSZOE-CQSZACIVSA-N 2 2 336.233 3.149 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CCO)c2cccs2)n1-c1ccccc1 ZINC000084046573 453966348 /nfs/dbraw/zinc/96/63/48/453966348.db2.gz VPXSZUJWRZKARF-KRWDZBQOSA-N 2 2 327.453 3.456 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000085688048 454036355 /nfs/dbraw/zinc/03/63/55/454036355.db2.gz DEBPRLCFKYGXKL-HRAATJIYSA-N 2 2 348.450 3.331 20 0 EGADLP C[C@H](Nc1cc[nH+]c2ccncc12)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000085688048 454036358 /nfs/dbraw/zinc/03/63/58/454036358.db2.gz DEBPRLCFKYGXKL-HRAATJIYSA-N 2 2 348.450 3.331 20 0 EGADLP CCc1cc(NC[C@@H]2CCC[N@@H+](CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000068694219 454045294 /nfs/dbraw/zinc/04/52/94/454045294.db2.gz CGOXWMFFJANJJY-HNNXBMFYSA-N 2 2 325.460 3.245 20 0 EGADLP CCc1cc(NC[C@@H]2CCC[N@H+](CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000068694219 454045298 /nfs/dbraw/zinc/04/52/98/454045298.db2.gz CGOXWMFFJANJJY-HNNXBMFYSA-N 2 2 325.460 3.245 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000077248920 454082312 /nfs/dbraw/zinc/08/23/12/454082312.db2.gz HSRBDDRWFPTDRK-QGZVFWFLSA-N 2 2 349.544 3.000 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000077248920 454082314 /nfs/dbraw/zinc/08/23/14/454082314.db2.gz HSRBDDRWFPTDRK-QGZVFWFLSA-N 2 2 349.544 3.000 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000045135136 454141086 /nfs/dbraw/zinc/14/10/86/454141086.db2.gz UFIFSZDPRAYTEZ-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2Br)C1 ZINC000045135136 454141090 /nfs/dbraw/zinc/14/10/90/454141090.db2.gz UFIFSZDPRAYTEZ-GFCCVEGCSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000057829905 454150288 /nfs/dbraw/zinc/15/02/88/454150288.db2.gz GDZRDEVOVGENOC-ZWKOTPCHSA-N 2 2 345.512 3.160 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000057829905 454150290 /nfs/dbraw/zinc/15/02/90/454150290.db2.gz GDZRDEVOVGENOC-ZWKOTPCHSA-N 2 2 345.512 3.160 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000095981718 454248992 /nfs/dbraw/zinc/24/89/92/454248992.db2.gz XDMFVFPMTCZCMA-XLIONFOSSA-N 2 2 335.455 3.211 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000095981718 454248998 /nfs/dbraw/zinc/24/89/98/454248998.db2.gz XDMFVFPMTCZCMA-XLIONFOSSA-N 2 2 335.455 3.211 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000095988190 454253038 /nfs/dbraw/zinc/25/30/38/454253038.db2.gz PPUWRRNMLJBLJU-RLLQIKCJSA-N 2 2 344.499 3.172 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000095988190 454253046 /nfs/dbraw/zinc/25/30/46/454253046.db2.gz PPUWRRNMLJBLJU-RLLQIKCJSA-N 2 2 344.499 3.172 20 0 EGADLP COc1cccc(CCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003913 454260881 /nfs/dbraw/zinc/26/08/81/454260881.db2.gz VNJZKALRYQDDDO-GOSISDBHSA-N 2 2 327.472 3.316 20 0 EGADLP COc1cccc(CCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003913 454260882 /nfs/dbraw/zinc/26/08/82/454260882.db2.gz VNJZKALRYQDDDO-GOSISDBHSA-N 2 2 327.472 3.316 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)CCCO2 ZINC000090047143 454266741 /nfs/dbraw/zinc/26/67/41/454266741.db2.gz GWULFDSUXFLADM-PKOBYXMFSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000090047700 454267013 /nfs/dbraw/zinc/26/70/13/454267013.db2.gz ADNWYTDDSWAAKT-ZIAGYGMSSA-N 2 2 330.394 3.467 20 0 EGADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000096081099 454280149 /nfs/dbraw/zinc/28/01/49/454280149.db2.gz ONNALGISAXGXMD-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000096081099 454280156 /nfs/dbraw/zinc/28/01/56/454280156.db2.gz ONNALGISAXGXMD-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000096081099 454280160 /nfs/dbraw/zinc/28/01/60/454280160.db2.gz ONNALGISAXGXMD-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000096081099 454280162 /nfs/dbraw/zinc/28/01/62/454280162.db2.gz ONNALGISAXGXMD-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000131761273 454283797 /nfs/dbraw/zinc/28/37/97/454283797.db2.gz PVHBEPRLFFFGSQ-LPHOPBHVSA-N 2 2 345.487 3.104 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000131761273 454283803 /nfs/dbraw/zinc/28/38/03/454283803.db2.gz PVHBEPRLFFFGSQ-LPHOPBHVSA-N 2 2 345.487 3.104 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000120470593 454307001 /nfs/dbraw/zinc/30/70/01/454307001.db2.gz HZMBKLILIVWNNW-GOSISDBHSA-N 2 2 338.455 3.376 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000120470593 454307008 /nfs/dbraw/zinc/30/70/08/454307008.db2.gz HZMBKLILIVWNNW-GOSISDBHSA-N 2 2 338.455 3.376 20 0 EGADLP COC(=O)[C@H](c1ccccc1F)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000072605778 454317045 /nfs/dbraw/zinc/31/70/45/454317045.db2.gz BOWKXEXWLHLKBS-SFHVURJKSA-N 2 2 336.451 3.092 20 0 EGADLP COC(=O)[C@H](c1ccccc1F)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000072605778 454317052 /nfs/dbraw/zinc/31/70/52/454317052.db2.gz BOWKXEXWLHLKBS-SFHVURJKSA-N 2 2 336.451 3.092 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cccc2c1OCO2)[N@@H+]1CCc2ccccc2C1 ZINC000060974059 454322519 /nfs/dbraw/zinc/32/25/19/454322519.db2.gz ZLZCYVPOWGQSMK-IBGZPJMESA-N 2 2 338.451 3.342 20 0 EGADLP CC[C@@H](C[NH2+]Cc1cccc2c1OCO2)[N@H+]1CCc2ccccc2C1 ZINC000060974059 454322525 /nfs/dbraw/zinc/32/25/25/454322525.db2.gz ZLZCYVPOWGQSMK-IBGZPJMESA-N 2 2 338.451 3.342 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)n1 ZINC000090667277 454334056 /nfs/dbraw/zinc/33/40/56/454334056.db2.gz PKRWLQCZNBLIMN-CVEARBPZSA-N 2 2 339.487 3.365 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000090847030 454344703 /nfs/dbraw/zinc/34/47/03/454344703.db2.gz VUTKNGBULNIBCR-QGZVFWFLSA-N 3 2 327.472 3.224 20 0 EGADLP Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(C[NH+](C)C)c1 ZINC000072839621 454349220 /nfs/dbraw/zinc/34/92/20/454349220.db2.gz MPTNHHDQHXNMFJ-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936698 454351478 /nfs/dbraw/zinc/35/14/78/454351478.db2.gz XJUKJFRVKWGJMV-HACGYAERSA-N 2 2 328.859 3.487 20 0 EGADLP COCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936698 454351482 /nfs/dbraw/zinc/35/14/82/454351482.db2.gz XJUKJFRVKWGJMV-HACGYAERSA-N 2 2 328.859 3.487 20 0 EGADLP COC[C@H](C)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000063312772 454406119 /nfs/dbraw/zinc/40/61/19/454406119.db2.gz USRVRBXXAPOJFM-INIZCTEOSA-N 2 2 339.439 3.346 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 ZINC000121231813 454409213 /nfs/dbraw/zinc/40/92/13/454409213.db2.gz RVAUBDCGMZZEGE-NRFANRHFSA-N 2 2 345.531 3.296 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000121431522 454434709 /nfs/dbraw/zinc/43/47/09/454434709.db2.gz XFOLSNFTIYPFIK-UHFFFAOYSA-N 2 2 342.443 3.042 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC(F)F)c1 ZINC000098144485 454462501 /nfs/dbraw/zinc/46/25/01/454462501.db2.gz SDRVAHFWTSNEBX-GOEBONIOSA-N 2 2 342.430 3.031 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143760 454462745 /nfs/dbraw/zinc/46/27/45/454462745.db2.gz KMKKFCWENPXVTK-MGPUTAFESA-N 2 2 344.886 3.410 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000098143760 454462748 /nfs/dbraw/zinc/46/27/48/454462748.db2.gz KMKKFCWENPXVTK-MGPUTAFESA-N 2 2 344.886 3.410 20 0 EGADLP CC[C@@H](CNC(=O)Nc1cc[nH+]cc1C)[N@@H+]1CCc2ccccc2C1 ZINC000121940875 454497179 /nfs/dbraw/zinc/49/71/79/454497179.db2.gz YQBCRLXINIVBSX-SFHVURJKSA-N 2 2 338.455 3.348 20 0 EGADLP CC[C@@H](CNC(=O)Nc1cc[nH+]cc1C)[N@H+]1CCc2ccccc2C1 ZINC000121940875 454497184 /nfs/dbraw/zinc/49/71/84/454497184.db2.gz YQBCRLXINIVBSX-SFHVURJKSA-N 2 2 338.455 3.348 20 0 EGADLP CC(C)N(C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000074322174 454564251 /nfs/dbraw/zinc/56/42/51/454564251.db2.gz PPFWKVZJEWPQPA-UHFFFAOYSA-N 2 2 345.531 3.228 20 0 EGADLP CC(C)N(C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000074322174 454564252 /nfs/dbraw/zinc/56/42/52/454564252.db2.gz PPFWKVZJEWPQPA-UHFFFAOYSA-N 2 2 345.531 3.228 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1O ZINC000092587957 454591462 /nfs/dbraw/zinc/59/14/62/454591462.db2.gz DBAOVMWBWKTHDH-SJLPKXTDSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1O ZINC000092587957 454591463 /nfs/dbraw/zinc/59/14/63/454591463.db2.gz DBAOVMWBWKTHDH-SJLPKXTDSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1O ZINC000092587957 454591466 /nfs/dbraw/zinc/59/14/66/454591466.db2.gz DBAOVMWBWKTHDH-SJLPKXTDSA-N 2 2 332.488 3.487 20 0 EGADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1O ZINC000092587957 454591469 /nfs/dbraw/zinc/59/14/69/454591469.db2.gz DBAOVMWBWKTHDH-SJLPKXTDSA-N 2 2 332.488 3.487 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3OC(F)F)CC2)c1 ZINC000104717005 454597736 /nfs/dbraw/zinc/59/77/36/454597736.db2.gz HEYVZYDOTAHENH-UHFFFAOYSA-N 2 2 349.381 3.014 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134900567 454605361 /nfs/dbraw/zinc/60/53/61/454605361.db2.gz TUIDJGZMBVXJPH-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134900567 454605367 /nfs/dbraw/zinc/60/53/67/454605367.db2.gz TUIDJGZMBVXJPH-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134900567 454605372 /nfs/dbraw/zinc/60/53/72/454605372.db2.gz TUIDJGZMBVXJPH-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134900567 454605377 /nfs/dbraw/zinc/60/53/77/454605377.db2.gz TUIDJGZMBVXJPH-SQGPQFPESA-N 2 2 341.499 3.271 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)n1-c1ccccc1 ZINC000634990377 460643447 /nfs/dbraw/zinc/64/34/47/460643447.db2.gz ISXCHFKUWPXHOT-UHFFFAOYSA-N 2 2 349.360 3.186 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000135167421 454640930 /nfs/dbraw/zinc/64/09/30/454640930.db2.gz GYFVUHXTOMFPLV-LJQANCHMSA-N 2 2 340.423 3.300 20 0 EGADLP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000135167421 454640936 /nfs/dbraw/zinc/64/09/36/454640936.db2.gz GYFVUHXTOMFPLV-LJQANCHMSA-N 2 2 340.423 3.300 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080933783 454650423 /nfs/dbraw/zinc/65/04/23/454650423.db2.gz HGAULXYFYYCQME-GJZGRUSLSA-N 2 2 342.443 3.015 20 0 EGADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080933783 454650428 /nfs/dbraw/zinc/65/04/28/454650428.db2.gz HGAULXYFYYCQME-GJZGRUSLSA-N 2 2 342.443 3.015 20 0 EGADLP Clc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000135805210 454703572 /nfs/dbraw/zinc/70/35/72/454703572.db2.gz BRWLULICQBEWJV-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1C ZINC000161812982 454726123 /nfs/dbraw/zinc/72/61/23/454726123.db2.gz WOXCNQKBCYKSPG-PXNSSMCTSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1C ZINC000161812982 454726126 /nfs/dbraw/zinc/72/61/26/454726126.db2.gz WOXCNQKBCYKSPG-PXNSSMCTSA-N 2 2 339.483 3.399 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000107293121 454750919 /nfs/dbraw/zinc/75/09/19/454750919.db2.gz JECBZXCCTJOZKY-HZPDHXFCSA-N 2 2 339.439 3.252 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000153157224 454765039 /nfs/dbraw/zinc/76/50/39/454765039.db2.gz JWQHSBSMONMISJ-KBPBESRZSA-N 2 2 341.293 3.068 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153416489 454792260 /nfs/dbraw/zinc/79/22/60/454792260.db2.gz HRVJLMRXLGDZHG-OKZBNKHCSA-N 2 2 335.561 3.451 20 0 EGADLP CC1CCN([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000153416489 454792262 /nfs/dbraw/zinc/79/22/62/454792262.db2.gz HRVJLMRXLGDZHG-OKZBNKHCSA-N 2 2 335.561 3.451 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000176924534 454799260 /nfs/dbraw/zinc/79/92/60/454799260.db2.gz IMHWYHCYXWRLJB-UHFFFAOYSA-N 2 2 344.484 3.494 20 0 EGADLP CC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCOC1 ZINC000163035940 454818531 /nfs/dbraw/zinc/81/85/31/454818531.db2.gz DWFHGHXADLAEMF-IRXDYDNUSA-N 2 2 326.550 3.143 20 0 EGADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000153788024 454833306 /nfs/dbraw/zinc/83/33/06/454833306.db2.gz LGXOAKNAMRYJDW-OAHLLOKOSA-N 2 2 333.501 3.429 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000153788024 454833309 /nfs/dbraw/zinc/83/33/09/454833309.db2.gz LGXOAKNAMRYJDW-OAHLLOKOSA-N 2 2 333.501 3.429 20 0 EGADLP CSc1ccccc1NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793813 454836654 /nfs/dbraw/zinc/83/66/54/454836654.db2.gz UHROICOWHUDBRG-UHFFFAOYSA-N 2 2 344.484 3.271 20 0 EGADLP COc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000177236110 454841618 /nfs/dbraw/zinc/84/16/18/454841618.db2.gz XRPZEZFOWUOASM-UHFFFAOYSA-N 2 2 334.423 3.441 20 0 EGADLP COc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000177236110 454841621 /nfs/dbraw/zinc/84/16/21/454841621.db2.gz XRPZEZFOWUOASM-UHFFFAOYSA-N 2 2 334.423 3.441 20 0 EGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177263271 454844372 /nfs/dbraw/zinc/84/43/72/454844372.db2.gz NVOIGMIAMJISFN-FQEVSTJZSA-N 2 2 347.466 3.368 20 0 EGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177263271 454844379 /nfs/dbraw/zinc/84/43/79/454844379.db2.gz NVOIGMIAMJISFN-FQEVSTJZSA-N 2 2 347.466 3.368 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177264103 454844728 /nfs/dbraw/zinc/84/47/28/454844728.db2.gz SAWJIIMWRYFRNG-INIZCTEOSA-N 2 2 334.460 3.079 20 0 EGADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000177264103 454844732 /nfs/dbraw/zinc/84/47/32/454844732.db2.gz SAWJIIMWRYFRNG-INIZCTEOSA-N 2 2 334.460 3.079 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C(=O)NCC(C)C)c1 ZINC000177309536 454850157 /nfs/dbraw/zinc/85/01/57/454850157.db2.gz SHAFMCOGVJQRHB-UXHICEINSA-N 2 2 343.515 3.131 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C(=O)NCC(C)C)c1 ZINC000177309536 454850160 /nfs/dbraw/zinc/85/01/60/454850160.db2.gz SHAFMCOGVJQRHB-UXHICEINSA-N 2 2 343.515 3.131 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)NCC(C)C)c1 ZINC000177309536 454850162 /nfs/dbraw/zinc/85/01/62/454850162.db2.gz SHAFMCOGVJQRHB-UXHICEINSA-N 2 2 343.515 3.131 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C(=O)NCC(C)C)c1 ZINC000177309536 454850166 /nfs/dbraw/zinc/85/01/66/454850166.db2.gz SHAFMCOGVJQRHB-UXHICEINSA-N 2 2 343.515 3.131 20 0 EGADLP CCCC[N@H+](C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000163525737 454852932 /nfs/dbraw/zinc/85/29/32/454852932.db2.gz WMNALHUKNSQSLH-UHFFFAOYSA-N 2 2 329.488 3.141 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000163525737 454852935 /nfs/dbraw/zinc/85/29/35/454852935.db2.gz WMNALHUKNSQSLH-UHFFFAOYSA-N 2 2 329.488 3.141 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000125957676 454859189 /nfs/dbraw/zinc/85/91/89/454859189.db2.gz OMTAKDFZYHNLFL-SCTDSRPQSA-N 2 2 326.488 3.457 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000125957676 454859192 /nfs/dbraw/zinc/85/91/92/454859192.db2.gz OMTAKDFZYHNLFL-SCTDSRPQSA-N 2 2 326.488 3.457 20 0 EGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000126295347 454882795 /nfs/dbraw/zinc/88/27/95/454882795.db2.gz PBMHWRSSLMJMEK-AWEZNQCLSA-N 2 2 349.438 3.385 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000150761121 454888405 /nfs/dbraw/zinc/88/84/05/454888405.db2.gz YPRDUIMLHVUUDU-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)co2)c1 ZINC000150761121 454888407 /nfs/dbraw/zinc/88/84/07/454888407.db2.gz YPRDUIMLHVUUDU-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150775309 454890389 /nfs/dbraw/zinc/89/03/89/454890389.db2.gz WBBJLRNNXMABDI-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP Fc1ccc(-c2cnc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)cc1 ZINC000150775309 454890394 /nfs/dbraw/zinc/89/03/94/454890394.db2.gz WBBJLRNNXMABDI-HNNXBMFYSA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1 ZINC000246423708 455487570 /nfs/dbraw/zinc/48/75/70/455487570.db2.gz NLGNXDMBCITZFO-DBXWQHBBSA-N 2 2 339.483 3.349 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1 ZINC000246423708 455487573 /nfs/dbraw/zinc/48/75/73/455487573.db2.gz NLGNXDMBCITZFO-DBXWQHBBSA-N 2 2 339.483 3.349 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618064 454922245 /nfs/dbraw/zinc/92/22/45/454922245.db2.gz HLVHCEMPCWXQCV-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618064 454922248 /nfs/dbraw/zinc/92/22/48/454922248.db2.gz HLVHCEMPCWXQCV-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618064 454922250 /nfs/dbraw/zinc/92/22/50/454922250.db2.gz HLVHCEMPCWXQCV-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3sccc3Br)CC[C@@H]21 ZINC000167618064 454922253 /nfs/dbraw/zinc/92/22/53/454922253.db2.gz HLVHCEMPCWXQCV-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151115519 454940213 /nfs/dbraw/zinc/94/02/13/454940213.db2.gz PORRQHZAHPSWBK-HNNXBMFYSA-N 2 2 338.224 3.452 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCCn2cc[nH+]c2)cnn1-c1ccc(F)cc1 ZINC000151160178 454946204 /nfs/dbraw/zinc/94/62/04/454946204.db2.gz CCIUPPRUDGXXNF-AWEZNQCLSA-N 2 2 327.407 3.257 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000178331502 454948659 /nfs/dbraw/zinc/94/86/59/454948659.db2.gz AFBCIPZELCJBAP-IEBWSBKVSA-N 2 2 344.499 3.379 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000178331502 454948662 /nfs/dbraw/zinc/94/86/62/454948662.db2.gz AFBCIPZELCJBAP-IEBWSBKVSA-N 2 2 344.499 3.379 20 0 EGADLP C[NH+]1CCC(NC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000114536769 454960984 /nfs/dbraw/zinc/96/09/84/454960984.db2.gz YWRVRLGXYLKTSZ-UHFFFAOYSA-N 2 2 345.830 3.351 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+](CCCn1cc[nH+]c1C)CC(=O)OC ZINC000127459588 454967475 /nfs/dbraw/zinc/96/74/75/454967475.db2.gz IVXNIAXLDHFJCE-GOSISDBHSA-N 2 2 329.444 3.208 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@](O)(c3ccccc3)C(F)(F)F)n2c1 ZINC000178892081 454987491 /nfs/dbraw/zinc/98/74/91/454987491.db2.gz MLIXRSYHZSWNPO-KRWDZBQOSA-N 2 2 349.356 3.182 20 0 EGADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115321273 455010456 /nfs/dbraw/zinc/01/04/56/455010456.db2.gz BQTGBAFIRLWOAE-KRWDZBQOSA-N 2 2 339.439 3.396 20 0 EGADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115321273 455010459 /nfs/dbraw/zinc/01/04/59/455010459.db2.gz BQTGBAFIRLWOAE-KRWDZBQOSA-N 2 2 339.439 3.396 20 0 EGADLP C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000155531926 455012953 /nfs/dbraw/zinc/01/29/53/455012953.db2.gz MXJBOTHDISDREE-QGZVFWFLSA-N 2 2 340.471 3.316 20 0 EGADLP CCCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000179329826 455034166 /nfs/dbraw/zinc/03/41/66/455034166.db2.gz LKHPEINYYKXLTJ-LJQANCHMSA-N 2 2 332.488 3.220 20 0 EGADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116395941 455053778 /nfs/dbraw/zinc/05/37/78/455053778.db2.gz BQBCWZZNMCLSDL-MAUKXSAKSA-N 2 2 349.519 3.368 20 0 EGADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396787 455054725 /nfs/dbraw/zinc/05/47/25/455054725.db2.gz ROKSKSFBWYDNII-RDTXWAMCSA-N 2 2 347.503 3.172 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000179721538 455070944 /nfs/dbraw/zinc/07/09/44/455070944.db2.gz ZJHUFSAQDDJHDK-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000179721538 455070947 /nfs/dbraw/zinc/07/09/47/455070947.db2.gz ZJHUFSAQDDJHDK-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000129168381 455101013 /nfs/dbraw/zinc/10/10/13/455101013.db2.gz FMVPIUQAFFMPIO-QMTHXVAHSA-N 2 2 327.241 3.303 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000129168381 455101014 /nfs/dbraw/zinc/10/10/14/455101014.db2.gz FMVPIUQAFFMPIO-QMTHXVAHSA-N 2 2 327.241 3.303 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000152408353 455114602 /nfs/dbraw/zinc/11/46/02/455114602.db2.gz BRCZUTVSEBOYTK-MRXNPFEDSA-N 3 2 347.934 3.378 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152408353 455114603 /nfs/dbraw/zinc/11/46/03/455114603.db2.gz BRCZUTVSEBOYTK-MRXNPFEDSA-N 3 2 347.934 3.378 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1nc2ccccc2n1C ZINC000180027881 455118327 /nfs/dbraw/zinc/11/83/27/455118327.db2.gz TUBZATRRGTZRPB-INIZCTEOSA-N 2 2 349.482 3.284 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119039734 455121691 /nfs/dbraw/zinc/12/16/91/455121691.db2.gz MWRLAULIQMHGBW-ZCLUNYJNSA-N 2 2 347.547 3.396 20 0 EGADLP CCN(CC)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000119039734 455121693 /nfs/dbraw/zinc/12/16/93/455121693.db2.gz MWRLAULIQMHGBW-ZCLUNYJNSA-N 2 2 347.547 3.396 20 0 EGADLP CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000152476434 455123835 /nfs/dbraw/zinc/12/38/35/455123835.db2.gz KABXDXOSBQEWDD-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000152476434 455123838 /nfs/dbraw/zinc/12/38/38/455123838.db2.gz KABXDXOSBQEWDD-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000152476434 455123842 /nfs/dbraw/zinc/12/38/42/455123842.db2.gz KABXDXOSBQEWDD-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP CCN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000152476434 455123846 /nfs/dbraw/zinc/12/38/46/455123846.db2.gz KABXDXOSBQEWDD-DLBZAZTESA-N 2 2 349.494 3.009 20 0 EGADLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156505291 455126458 /nfs/dbraw/zinc/12/64/58/455126458.db2.gz UWTWSCSYNBLAGQ-YOEHRIQHSA-N 2 2 346.862 3.448 20 0 EGADLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156505291 455126462 /nfs/dbraw/zinc/12/64/62/455126462.db2.gz UWTWSCSYNBLAGQ-YOEHRIQHSA-N 2 2 346.862 3.448 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156519950 455127981 /nfs/dbraw/zinc/12/79/81/455127981.db2.gz QYWVTOKDILETNP-LZLYRXPVSA-N 2 2 326.444 3.102 20 0 EGADLP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156519950 455127983 /nfs/dbraw/zinc/12/79/83/455127983.db2.gz QYWVTOKDILETNP-LZLYRXPVSA-N 2 2 326.444 3.102 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccsc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156522984 455127998 /nfs/dbraw/zinc/12/79/98/455127998.db2.gz ODDHMOSAHDJTAJ-OCCSQVGLSA-N 2 2 329.429 3.078 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156522984 455128001 /nfs/dbraw/zinc/12/80/01/455128001.db2.gz ODDHMOSAHDJTAJ-OCCSQVGLSA-N 2 2 329.429 3.078 20 0 EGADLP C[C@@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)C[NH+]1CCCCC1 ZINC000180174640 455144587 /nfs/dbraw/zinc/14/45/87/455144587.db2.gz HBHVTWNAZXZPBC-JXFKEZNVSA-N 2 2 344.478 3.360 20 0 EGADLP CCC[NH+]1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000172342891 455147343 /nfs/dbraw/zinc/14/73/43/455147343.db2.gz XAKXOSSYAGEQTO-UHFFFAOYSA-N 2 2 340.427 3.433 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000182839167 455175725 /nfs/dbraw/zinc/17/57/25/455175725.db2.gz DYMSNMHFWQACER-KDOFPFPSSA-N 2 2 326.431 3.362 20 0 EGADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccc(F)c(F)c1 ZINC000182839167 455175727 /nfs/dbraw/zinc/17/57/27/455175727.db2.gz DYMSNMHFWQACER-KDOFPFPSSA-N 2 2 326.431 3.362 20 0 EGADLP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657486 460666254 /nfs/dbraw/zinc/66/62/54/460666254.db2.gz ROZPDYIQKRQNBR-HXUWFJFHSA-N 3 2 329.532 3.015 20 0 EGADLP C[N@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623657486 460666259 /nfs/dbraw/zinc/66/62/59/460666259.db2.gz ROZPDYIQKRQNBR-HXUWFJFHSA-N 3 2 329.532 3.015 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245467119 455308037 /nfs/dbraw/zinc/30/80/37/455308037.db2.gz ZIXXPANXIJUBEW-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245467119 455308042 /nfs/dbraw/zinc/30/80/42/455308042.db2.gz ZIXXPANXIJUBEW-OALUTQOASA-N 2 2 343.515 3.438 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265463611 455329595 /nfs/dbraw/zinc/32/95/95/455329595.db2.gz GLUAVAJHQGOHRU-GFCCVEGCSA-N 2 2 332.835 3.270 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902396 455339163 /nfs/dbraw/zinc/33/91/63/455339163.db2.gz ACDDTZQAVNWTIT-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902396 455339167 /nfs/dbraw/zinc/33/91/67/455339167.db2.gz ACDDTZQAVNWTIT-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902396 455339170 /nfs/dbraw/zinc/33/91/70/455339170.db2.gz ACDDTZQAVNWTIT-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000173902396 455339172 /nfs/dbraw/zinc/33/91/72/455339172.db2.gz ACDDTZQAVNWTIT-KRWDZBQOSA-N 2 2 338.499 3.135 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000245607071 455339616 /nfs/dbraw/zinc/33/96/16/455339616.db2.gz AJUOTKDDSJZCLO-QFBILLFUSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000245607071 455339626 /nfs/dbraw/zinc/33/96/26/455339626.db2.gz AJUOTKDDSJZCLO-QFBILLFUSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000245607071 455339631 /nfs/dbraw/zinc/33/96/31/455339631.db2.gz AJUOTKDDSJZCLO-QFBILLFUSA-N 2 2 346.446 3.061 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000265544921 455341744 /nfs/dbraw/zinc/34/17/44/455341744.db2.gz XMTLKVLWNYSWQE-CYBMUJFWSA-N 2 2 330.407 3.064 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245630991 455344626 /nfs/dbraw/zinc/34/46/26/455344626.db2.gz DKIUJFBIUSFMBW-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP CN(C(=O)C1CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245630991 455344629 /nfs/dbraw/zinc/34/46/29/455344629.db2.gz DKIUJFBIUSFMBW-VQTJNVASSA-N 2 2 349.563 3.362 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000245743928 455370451 /nfs/dbraw/zinc/37/04/51/455370451.db2.gz XSFITTNRSNCZQQ-WFASDCNBSA-N 2 2 333.457 3.123 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)s1 ZINC000245743928 455370456 /nfs/dbraw/zinc/37/04/56/455370456.db2.gz XSFITTNRSNCZQQ-WFASDCNBSA-N 2 2 333.457 3.123 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752559 455447927 /nfs/dbraw/zinc/44/79/27/455447927.db2.gz QQYSZOWDMPOGKX-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC000266752559 455447930 /nfs/dbraw/zinc/44/79/30/455447930.db2.gz QQYSZOWDMPOGKX-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1cccc(O)c1 ZINC000182196548 455458191 /nfs/dbraw/zinc/45/81/91/455458191.db2.gz BRWYICZKVMABBI-KRWDZBQOSA-N 2 2 332.488 3.326 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260232 455459708 /nfs/dbraw/zinc/45/97/08/455459708.db2.gz YEZNTUXVYCOPQD-CVEARBPZSA-N 2 2 349.906 3.393 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246260232 455459712 /nfs/dbraw/zinc/45/97/12/455459712.db2.gz YEZNTUXVYCOPQD-CVEARBPZSA-N 2 2 349.906 3.393 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000266927600 455476625 /nfs/dbraw/zinc/47/66/25/455476625.db2.gz NTEZWEQLCWKWHA-CZUORRHYSA-N 2 2 344.846 3.048 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1ccccc1Cl ZINC000266927600 455476629 /nfs/dbraw/zinc/47/66/29/455476629.db2.gz NTEZWEQLCWKWHA-CZUORRHYSA-N 2 2 344.846 3.048 20 0 EGADLP CCO[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247239741 455577156 /nfs/dbraw/zinc/57/71/56/455577156.db2.gz XLCDMYBYYUXGRS-YZGWKJHDSA-N 2 2 333.520 3.333 20 0 EGADLP CCO[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000247239741 455577159 /nfs/dbraw/zinc/57/71/59/455577159.db2.gz XLCDMYBYYUXGRS-YZGWKJHDSA-N 2 2 333.520 3.333 20 0 EGADLP COCCOc1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185675644 455594038 /nfs/dbraw/zinc/59/40/38/455594038.db2.gz KVTRGFBPJAQPNQ-UWJYYQICSA-N 2 2 342.483 3.493 20 0 EGADLP CCc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355088 455595433 /nfs/dbraw/zinc/59/54/33/455595433.db2.gz IZIYYPLPLRCGLI-FQEVSTJZSA-N 2 2 328.456 3.223 20 0 EGADLP CCc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355088 455595435 /nfs/dbraw/zinc/59/54/35/455595435.db2.gz IZIYYPLPLRCGLI-FQEVSTJZSA-N 2 2 328.456 3.223 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000247658419 455634978 /nfs/dbraw/zinc/63/49/78/455634978.db2.gz PTTNOKHLODVMCJ-RVKKMQEKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000247658419 455634984 /nfs/dbraw/zinc/63/49/84/455634984.db2.gz PTTNOKHLODVMCJ-RVKKMQEKSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(F)c1 ZINC000247689378 455637516 /nfs/dbraw/zinc/63/75/16/455637516.db2.gz VQQLNJNVUKRVEB-HZPDHXFCSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(F)c1 ZINC000247689378 455637522 /nfs/dbraw/zinc/63/75/22/455637522.db2.gz VQQLNJNVUKRVEB-HZPDHXFCSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC000247689378 455637528 /nfs/dbraw/zinc/63/75/28/455637528.db2.gz VQQLNJNVUKRVEB-HZPDHXFCSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(F)c1 ZINC000247689378 455637531 /nfs/dbraw/zinc/63/75/31/455637531.db2.gz VQQLNJNVUKRVEB-HZPDHXFCSA-N 2 2 335.467 3.267 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000247741206 455642304 /nfs/dbraw/zinc/64/23/04/455642304.db2.gz NRGUOUYHCXDTNM-BRSBDYLESA-N 2 2 346.519 3.023 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000247741206 455642311 /nfs/dbraw/zinc/64/23/11/455642311.db2.gz NRGUOUYHCXDTNM-BRSBDYLESA-N 2 2 346.519 3.023 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000284250698 455657854 /nfs/dbraw/zinc/65/78/54/455657854.db2.gz VOHOBYKWINYDBJ-YLJYHZDGSA-N 2 2 342.487 3.012 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000284250698 455657859 /nfs/dbraw/zinc/65/78/59/455657859.db2.gz VOHOBYKWINYDBJ-YLJYHZDGSA-N 2 2 342.487 3.012 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCSc3ccc(F)cc32)C[C@H](C)O1 ZINC000247967006 455661564 /nfs/dbraw/zinc/66/15/64/455661564.db2.gz IDVRRBMOXYKQQJ-VBQJREDUSA-N 2 2 338.492 3.452 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCSc3ccc(F)cc32)C[C@H](C)O1 ZINC000247967006 455661566 /nfs/dbraw/zinc/66/15/66/455661566.db2.gz IDVRRBMOXYKQQJ-VBQJREDUSA-N 2 2 338.492 3.452 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247970726 455663687 /nfs/dbraw/zinc/66/36/87/455663687.db2.gz JEJHNGQRVKKQBW-RHSMWYFYSA-N 2 2 342.430 3.295 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247970726 455663693 /nfs/dbraw/zinc/66/36/93/455663693.db2.gz JEJHNGQRVKKQBW-RHSMWYFYSA-N 2 2 342.430 3.295 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc(Cl)c1O ZINC000284298679 455665273 /nfs/dbraw/zinc/66/52/73/455665273.db2.gz UVFLRVZYBYHHDC-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc(Cl)c1O ZINC000284298679 455665277 /nfs/dbraw/zinc/66/52/77/455665277.db2.gz UVFLRVZYBYHHDC-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc(Cl)c1O ZINC000284298679 455665281 /nfs/dbraw/zinc/66/52/81/455665281.db2.gz UVFLRVZYBYHHDC-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc(Cl)c1O ZINC000284298679 455665285 /nfs/dbraw/zinc/66/52/85/455665285.db2.gz UVFLRVZYBYHHDC-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)nnn1-c1ccc(C)cc1 ZINC000271523975 455671695 /nfs/dbraw/zinc/67/16/95/455671695.db2.gz PUEGLKDDNFQPIO-MRXNPFEDSA-N 2 2 335.455 3.481 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1N(C)C ZINC000248050670 455674316 /nfs/dbraw/zinc/67/43/16/455674316.db2.gz WCAOQADKHWJKOJ-BZUAXINKSA-N 2 2 337.483 3.042 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000277855314 455687481 /nfs/dbraw/zinc/68/74/81/455687481.db2.gz AMFCRLHJKLQSJA-UHFFFAOYSA-N 2 2 326.400 3.169 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000284511604 455698226 /nfs/dbraw/zinc/69/82/26/455698226.db2.gz BLYAMASDIXVFBB-SUNYJGFJSA-N 2 2 347.894 3.202 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000284511604 455698229 /nfs/dbraw/zinc/69/82/29/455698229.db2.gz BLYAMASDIXVFBB-SUNYJGFJSA-N 2 2 347.894 3.202 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924649 455731442 /nfs/dbraw/zinc/73/14/42/455731442.db2.gz PQXPUBAKRYTVKJ-CTNGQTDRSA-N 2 2 341.499 3.135 20 0 EGADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc2cc(OC)ccc2c1 ZINC000268924649 455731445 /nfs/dbraw/zinc/73/14/45/455731445.db2.gz PQXPUBAKRYTVKJ-CTNGQTDRSA-N 2 2 341.499 3.135 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000271737125 455740031 /nfs/dbraw/zinc/74/00/31/455740031.db2.gz UGXIIBRXESMNCC-UHFFFAOYSA-N 2 2 327.266 3.032 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)oc1C ZINC000292958037 455767596 /nfs/dbraw/zinc/76/75/96/455767596.db2.gz OWYJBAQHMPPELT-HEHGZKQESA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)oc1C ZINC000292958037 455767602 /nfs/dbraw/zinc/76/76/02/455767602.db2.gz OWYJBAQHMPPELT-HEHGZKQESA-N 2 2 331.416 3.215 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(Cc3ccccc3)CC2)CC1 ZINC000271852883 455786769 /nfs/dbraw/zinc/78/67/69/455786769.db2.gz WLRRYDSBBHLYPE-UHFFFAOYSA-N 2 2 344.499 3.017 20 0 EGADLP CC1(C)OCc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2O1 ZINC000186666367 455814834 /nfs/dbraw/zinc/81/48/34/455814834.db2.gz OUESAQGKOAZUGO-UHFFFAOYSA-N 2 2 327.428 3.365 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285347968 455827097 /nfs/dbraw/zinc/82/70/97/455827097.db2.gz AQAOXJFCRUGGPE-DFNIBXOVSA-N 2 2 330.472 3.345 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285347968 455827104 /nfs/dbraw/zinc/82/71/04/455827104.db2.gz AQAOXJFCRUGGPE-DFNIBXOVSA-N 2 2 330.472 3.345 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285347968 455827108 /nfs/dbraw/zinc/82/71/08/455827108.db2.gz AQAOXJFCRUGGPE-DFNIBXOVSA-N 2 2 330.472 3.345 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285347968 455827113 /nfs/dbraw/zinc/82/71/13/455827113.db2.gz AQAOXJFCRUGGPE-DFNIBXOVSA-N 2 2 330.472 3.345 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C ZINC000285709812 455901444 /nfs/dbraw/zinc/90/14/44/455901444.db2.gz PIYNLVPGLNWVNY-VOBGVNJCSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1C ZINC000285709812 455901449 /nfs/dbraw/zinc/90/14/49/455901449.db2.gz PIYNLVPGLNWVNY-VOBGVNJCSA-N 2 2 343.515 3.038 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(Cl)c3)C[C@@H]12 ZINC000261579994 455909076 /nfs/dbraw/zinc/90/90/76/455909076.db2.gz PVDPFXYHSVZMIT-JTNHKYCSSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(Cl)c3)C[C@@H]12 ZINC000261579994 455909080 /nfs/dbraw/zinc/90/90/80/455909080.db2.gz PVDPFXYHSVZMIT-JTNHKYCSSA-N 2 2 329.669 3.272 20 0 EGADLP CCc1nnc(C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)o1 ZINC000280219908 455919783 /nfs/dbraw/zinc/91/97/83/455919783.db2.gz LBBWRKQDDDEUHL-UHFFFAOYSA-N 2 2 325.416 3.127 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(Br)c3F)C[C@H]21 ZINC000261644367 455920051 /nfs/dbraw/zinc/92/00/51/455920051.db2.gz MAILBGROAWLYHE-GPCCPHFNSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(Br)c3F)C[C@H]21 ZINC000261644367 455920057 /nfs/dbraw/zinc/92/00/57/455920057.db2.gz MAILBGROAWLYHE-GPCCPHFNSA-N 2 2 345.231 3.287 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000280235170 455924272 /nfs/dbraw/zinc/92/42/72/455924272.db2.gz JTKGKXCHMLQJFX-PNBKFKSVSA-N 2 2 332.488 3.411 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000280235170 455924278 /nfs/dbraw/zinc/92/42/78/455924278.db2.gz JTKGKXCHMLQJFX-PNBKFKSVSA-N 2 2 332.488 3.411 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1sccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261692088 455928625 /nfs/dbraw/zinc/92/86/25/455928625.db2.gz RWUMGYGGXZJGDZ-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1sccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261692088 455928633 /nfs/dbraw/zinc/92/86/33/455928633.db2.gz RWUMGYGGXZJGDZ-QGZVFWFLSA-N 2 2 344.528 3.417 20 0 EGADLP Cn1cc(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)s2)cn1 ZINC000261772352 455944710 /nfs/dbraw/zinc/94/47/10/455944710.db2.gz DVVPHZPWKFNNFQ-ZWKOTPCHSA-N 2 2 338.480 3.075 20 0 EGADLP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)s2)cn1 ZINC000261772352 455944712 /nfs/dbraw/zinc/94/47/12/455944712.db2.gz DVVPHZPWKFNNFQ-ZWKOTPCHSA-N 2 2 338.480 3.075 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000261871090 455962820 /nfs/dbraw/zinc/96/28/20/455962820.db2.gz SHJBMIFMTCGDSO-STQMWFEESA-N 2 2 345.830 3.337 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1cccc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262074463 455992817 /nfs/dbraw/zinc/99/28/17/455992817.db2.gz DDBLXSJHRKFBSB-SFHVURJKSA-N 2 2 342.462 3.186 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1cccc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262074463 455992822 /nfs/dbraw/zinc/99/28/22/455992822.db2.gz DDBLXSJHRKFBSB-SFHVURJKSA-N 2 2 342.462 3.186 20 0 EGADLP Fc1ccc([C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090674 455994372 /nfs/dbraw/zinc/99/43/72/455994372.db2.gz YRMRBPCWBYFMBX-RTBURBONSA-N 2 2 342.462 3.492 20 0 EGADLP Fc1ccc([C@@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c2[nH]cc[nH+]2)cc1 ZINC000188090674 455994376 /nfs/dbraw/zinc/99/43/76/455994376.db2.gz YRMRBPCWBYFMBX-RTBURBONSA-N 2 2 342.462 3.492 20 0 EGADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000262341489 456027481 /nfs/dbraw/zinc/02/74/81/456027481.db2.gz UHLKFPBBFFGPLP-UHFFFAOYSA-N 2 2 344.286 3.253 20 0 EGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc3ccccc32)CC1 ZINC000216050401 456027763 /nfs/dbraw/zinc/02/77/63/456027763.db2.gz IOUMFBAUVDTVFH-SJORKVTESA-N 2 2 339.483 3.043 20 0 EGADLP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c2[nH+]ccn21 ZINC000296887168 456061323 /nfs/dbraw/zinc/06/13/23/456061323.db2.gz OJXIWMKJCVHLPN-DNVCBOLYSA-N 2 2 340.471 3.205 20 0 EGADLP c1ccc(C[NH+]2CCC(Nc3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301273811 456078465 /nfs/dbraw/zinc/07/84/65/456078465.db2.gz HZNOPAZENFTJIF-UHFFFAOYSA-N 2 2 337.471 3.375 20 0 EGADLP c1ccc(C[NH+]2CCC(Nc3cc(NCC4CC4)nc[nH+]3)CC2)cc1 ZINC000301273811 456078471 /nfs/dbraw/zinc/07/84/71/456078471.db2.gz HZNOPAZENFTJIF-UHFFFAOYSA-N 2 2 337.471 3.375 20 0 EGADLP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)no1 ZINC000301648655 456173324 /nfs/dbraw/zinc/17/33/24/456173324.db2.gz FCHSAYWKVUKGGG-UHFFFAOYSA-N 2 2 340.402 3.301 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000297296922 456176583 /nfs/dbraw/zinc/17/65/83/456176583.db2.gz AYVFSRABTRXDSO-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000297296922 456176588 /nfs/dbraw/zinc/17/65/88/456176588.db2.gz AYVFSRABTRXDSO-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000297296922 456176595 /nfs/dbraw/zinc/17/65/95/456176595.db2.gz AYVFSRABTRXDSO-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000297296922 456176598 /nfs/dbraw/zinc/17/65/98/456176598.db2.gz AYVFSRABTRXDSO-JKSUJKDBSA-N 2 2 344.528 3.498 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236847770 456192059 /nfs/dbraw/zinc/19/20/59/456192059.db2.gz BDODHWGKHWTXJP-YLJYHZDGSA-N 2 2 339.483 3.355 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000236847770 456192061 /nfs/dbraw/zinc/19/20/61/456192061.db2.gz BDODHWGKHWTXJP-YLJYHZDGSA-N 2 2 339.483 3.355 20 0 EGADLP Cc1nn2c(C[N@@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)c(C(C)C)nc2s1 ZINC000333289890 456194119 /nfs/dbraw/zinc/19/41/19/456194119.db2.gz OJXDTHYAXCIPBC-DYEKYZERSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1nn2c(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)c(C(C)C)nc2s1 ZINC000333289890 456194127 /nfs/dbraw/zinc/19/41/27/456194127.db2.gz OJXDTHYAXCIPBC-DYEKYZERSA-N 2 2 335.521 3.028 20 0 EGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000297367065 456201107 /nfs/dbraw/zinc/20/11/07/456201107.db2.gz QEJJIOHJWJAZDA-GFCCVEGCSA-N 2 2 329.835 3.418 20 0 EGADLP CC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000236917660 456201284 /nfs/dbraw/zinc/20/12/84/456201284.db2.gz OIVFIUZVAULLPM-UHFFFAOYSA-N 3 2 335.923 3.378 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2c1 ZINC000271278094 456202939 /nfs/dbraw/zinc/20/29/39/456202939.db2.gz LKCOQBQKQUHAIZ-KSSFIOAISA-N 2 2 344.890 3.436 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2c1 ZINC000271278094 456202944 /nfs/dbraw/zinc/20/29/44/456202944.db2.gz LKCOQBQKQUHAIZ-KSSFIOAISA-N 2 2 344.890 3.436 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)c1c(F)cccc1F ZINC000301832855 456227321 /nfs/dbraw/zinc/22/73/21/456227321.db2.gz ROWIUZUBAOWDEQ-HNNXBMFYSA-N 2 2 347.413 3.292 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000281446093 456237492 /nfs/dbraw/zinc/23/74/92/456237492.db2.gz SLKXEUKOLRZWIL-UZLBHIALSA-N 2 2 326.488 3.383 20 0 EGADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000281446093 456237496 /nfs/dbraw/zinc/23/74/96/456237496.db2.gz SLKXEUKOLRZWIL-UZLBHIALSA-N 2 2 326.488 3.383 20 0 EGADLP CC[N@@H+](Cc1c(C)cnn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290109002 456242447 /nfs/dbraw/zinc/24/24/47/456242447.db2.gz SOPYHISXFJTJIB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1c(C)cnn1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290109002 456242453 /nfs/dbraw/zinc/24/24/53/456242453.db2.gz SOPYHISXFJTJIB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1c(C)cnn1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290109002 456242457 /nfs/dbraw/zinc/24/24/57/456242457.db2.gz SOPYHISXFJTJIB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1c(C)cnn1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290109002 456242462 /nfs/dbraw/zinc/24/24/62/456242462.db2.gz SOPYHISXFJTJIB-IBGZPJMESA-N 2 2 326.488 3.073 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723182 456254704 /nfs/dbraw/zinc/25/47/04/456254704.db2.gz UZIXZJDRJXWASY-KUHUBIRLSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723182 456254709 /nfs/dbraw/zinc/25/47/09/456254709.db2.gz UZIXZJDRJXWASY-KUHUBIRLSA-N 2 2 344.434 3.321 20 0 EGADLP CCc1cc(NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302054942 456277178 /nfs/dbraw/zinc/27/71/78/456277178.db2.gz QDBAMQWEYFHRPC-LJQANCHMSA-N 2 2 340.471 3.141 20 0 EGADLP COc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1Cl ZINC000352764989 456287830 /nfs/dbraw/zinc/28/78/30/456287830.db2.gz HVRAASUAAUDNRZ-UHFFFAOYSA-N 2 2 325.865 3.157 20 0 EGADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352770897 456291920 /nfs/dbraw/zinc/29/19/20/456291920.db2.gz MICLQHJZUVNRRQ-UHFFFAOYSA-N 3 2 346.544 3.335 20 0 EGADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352770897 456291924 /nfs/dbraw/zinc/29/19/24/456291924.db2.gz MICLQHJZUVNRRQ-UHFFFAOYSA-N 3 2 346.544 3.335 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000334059400 456293261 /nfs/dbraw/zinc/29/32/61/456293261.db2.gz XVTXVQMQXPBYHH-BASYENTBSA-N 2 2 344.503 3.213 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000334059400 456293270 /nfs/dbraw/zinc/29/32/70/456293270.db2.gz XVTXVQMQXPBYHH-BASYENTBSA-N 2 2 344.503 3.213 20 0 EGADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)[nH+]1 ZINC000290407551 456319976 /nfs/dbraw/zinc/31/99/76/456319976.db2.gz JWNZCRDSDHNVDP-INIZCTEOSA-N 2 2 331.423 3.349 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccccc2)n1 ZINC000342927747 456320498 /nfs/dbraw/zinc/32/04/98/456320498.db2.gz OWLVATGAGKJVCU-LJQANCHMSA-N 2 2 334.423 3.135 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccccc2)n1 ZINC000342927747 456320503 /nfs/dbraw/zinc/32/05/03/456320503.db2.gz OWLVATGAGKJVCU-LJQANCHMSA-N 2 2 334.423 3.135 20 0 EGADLP COc1cc(OC)c(CC[NH2+]CCCc2c[nH+]ccc2C)c(OC)c1 ZINC000290463283 456336054 /nfs/dbraw/zinc/33/60/54/456336054.db2.gz UFFZNBHXMJUMRC-UHFFFAOYSA-N 2 2 344.455 3.181 20 0 EGADLP COc1cccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000340254414 456342728 /nfs/dbraw/zinc/34/27/28/456342728.db2.gz HLVGVOANMKSGHF-YLJYHZDGSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000340254414 456342733 /nfs/dbraw/zinc/34/27/33/456342733.db2.gz HLVGVOANMKSGHF-YLJYHZDGSA-N 2 2 339.483 3.275 20 0 EGADLP CN(C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000340263013 456347855 /nfs/dbraw/zinc/34/78/55/456347855.db2.gz FYTPUSIDOCRXJE-QUCCMNQESA-N 2 2 343.515 3.203 20 0 EGADLP CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CCCCC1 ZINC000340263013 456347861 /nfs/dbraw/zinc/34/78/61/456347861.db2.gz FYTPUSIDOCRXJE-QUCCMNQESA-N 2 2 343.515 3.203 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)c(C)o1 ZINC000340278042 456358001 /nfs/dbraw/zinc/35/80/01/456358001.db2.gz XFWLRQRQHLZTCK-DNVCBOLYSA-N 2 2 327.472 3.477 20 0 EGADLP Cc1nc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)c(C)o1 ZINC000340278042 456358005 /nfs/dbraw/zinc/35/80/05/456358005.db2.gz XFWLRQRQHLZTCK-DNVCBOLYSA-N 2 2 327.472 3.477 20 0 EGADLP CC(C)c1cc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000302545744 456358237 /nfs/dbraw/zinc/35/82/37/456358237.db2.gz OWAIBZUNCDGZBU-HNNXBMFYSA-N 2 2 334.508 3.005 20 0 EGADLP CC(C)c1cc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000302545744 456358241 /nfs/dbraw/zinc/35/82/41/456358241.db2.gz OWAIBZUNCDGZBU-HNNXBMFYSA-N 2 2 334.508 3.005 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000347787690 456368779 /nfs/dbraw/zinc/36/87/79/456368779.db2.gz XAUIKSULDMZFGB-VQIMIIECSA-N 2 2 340.467 3.401 20 0 EGADLP CCOc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000347787690 456368787 /nfs/dbraw/zinc/36/87/87/456368787.db2.gz XAUIKSULDMZFGB-VQIMIIECSA-N 2 2 340.467 3.401 20 0 EGADLP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298148326 456376092 /nfs/dbraw/zinc/37/60/92/456376092.db2.gz RIHNNFOZOFHFES-IBGZPJMESA-N 2 2 330.472 3.286 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000347853912 456407356 /nfs/dbraw/zinc/40/73/56/456407356.db2.gz KUMKSACJSVHYKS-QGZVFWFLSA-N 2 2 344.528 3.306 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000347853912 456407360 /nfs/dbraw/zinc/40/73/60/456407360.db2.gz KUMKSACJSVHYKS-QGZVFWFLSA-N 2 2 344.528 3.306 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)s1 ZINC000347871895 456418150 /nfs/dbraw/zinc/41/81/50/456418150.db2.gz SXCPQTWFACECKE-INIZCTEOSA-N 2 2 330.501 3.281 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)s1 ZINC000347871895 456418155 /nfs/dbraw/zinc/41/81/55/456418155.db2.gz SXCPQTWFACECKE-INIZCTEOSA-N 2 2 330.501 3.281 20 0 EGADLP CCN(CCC[NH+](C)C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000276235871 456420482 /nfs/dbraw/zinc/42/04/82/456420482.db2.gz OUAKIJOBXNJTLI-UHFFFAOYSA-N 2 2 327.428 3.288 20 0 EGADLP Cc1ccc(F)c(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000352978624 456426125 /nfs/dbraw/zinc/42/61/25/456426125.db2.gz XNHGVKNJEBKMRI-QZTJIDSGSA-N 2 2 333.495 3.125 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282177779 456434126 /nfs/dbraw/zinc/43/41/26/456434126.db2.gz ZDYBXSMFWPRTPF-UHFFFAOYSA-N 2 2 342.509 3.168 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475666 456482731 /nfs/dbraw/zinc/48/27/31/456482731.db2.gz MQZLSLXHBJKIJZ-PMACEKPBSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475666 456482734 /nfs/dbraw/zinc/48/27/34/456482734.db2.gz MQZLSLXHBJKIJZ-PMACEKPBSA-N 2 2 326.488 3.162 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCCc2sccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000340513467 456503114 /nfs/dbraw/zinc/50/31/14/456503114.db2.gz RQDMMICDYKBDRN-HKUYNNGSSA-N 2 2 342.508 3.134 20 0 EGADLP O[C@@H](C[NH2+][C@H]1CCCc2sccc21)C[N@H+]1CCc2ccccc2C1 ZINC000340513467 456503120 /nfs/dbraw/zinc/50/31/20/456503120.db2.gz RQDMMICDYKBDRN-HKUYNNGSSA-N 2 2 342.508 3.134 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000340517941 456505217 /nfs/dbraw/zinc/50/52/17/456505217.db2.gz OUSLPBQLONEYBT-VNTMZGSJSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000340517941 456505222 /nfs/dbraw/zinc/50/52/22/456505222.db2.gz OUSLPBQLONEYBT-VNTMZGSJSA-N 2 2 326.484 3.198 20 0 EGADLP CCOC1CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000657825732 462285448 /nfs/dbraw/zinc/28/54/48/462285448.db2.gz BSLQMPUNCMIEBL-UHFFFAOYSA-N 2 2 345.531 3.136 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1O ZINC000340575834 456541362 /nfs/dbraw/zinc/54/13/62/456541362.db2.gz HVJFWZCHCJPXMA-OAHLLOKOSA-N 2 2 348.830 3.493 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(Cl)c1O ZINC000340575834 456541370 /nfs/dbraw/zinc/54/13/70/456541370.db2.gz HVJFWZCHCJPXMA-OAHLLOKOSA-N 2 2 348.830 3.493 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000340583425 456546291 /nfs/dbraw/zinc/54/62/91/456546291.db2.gz MVFRXVMPYBPIHE-QMTHXVAHSA-N 2 2 338.224 3.450 20 0 EGADLP CC(C)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679126 456548866 /nfs/dbraw/zinc/54/88/66/456548866.db2.gz VWGAVSFFFAWCNK-ZWKOTPCHSA-N 2 2 340.471 3.135 20 0 EGADLP CC(C)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]cc[nH+]1 ZINC000276679126 456548876 /nfs/dbraw/zinc/54/88/76/456548876.db2.gz VWGAVSFFFAWCNK-ZWKOTPCHSA-N 2 2 340.471 3.135 20 0 EGADLP Cn1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(C(F)F)n1 ZINC000291278668 456588818 /nfs/dbraw/zinc/58/88/18/456588818.db2.gz UNLFOAICXTVKAE-INIZCTEOSA-N 2 2 334.414 3.284 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000282753132 456614834 /nfs/dbraw/zinc/61/48/34/456614834.db2.gz NVDJTINZOHOTEC-FUHWJXTLSA-N 2 2 341.503 3.033 20 0 EGADLP C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282753132 456614837 /nfs/dbraw/zinc/61/48/37/456614837.db2.gz NVDJTINZOHOTEC-FUHWJXTLSA-N 2 2 341.503 3.033 20 0 EGADLP CC1(C)CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000353307967 456627527 /nfs/dbraw/zinc/62/75/27/456627527.db2.gz MUDDWYPZFHOZMG-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP CC1(C)CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1Cc1ccccc1 ZINC000353307967 456627536 /nfs/dbraw/zinc/62/75/36/456627536.db2.gz MUDDWYPZFHOZMG-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP COc1cccc2cc([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)oc21 ZINC000353323416 456638446 /nfs/dbraw/zinc/63/84/46/456638446.db2.gz ZOTOLAWOXSIWGV-RDJZCZTQSA-N 2 2 346.471 3.185 20 0 EGADLP C[N@H+](Cc1ccc(F)c(-c2cccs2)c1)C1CC[NH+](CCO)CC1 ZINC000353360848 456645604 /nfs/dbraw/zinc/64/56/04/456645604.db2.gz MSNFOKNVZJQDNI-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[N@@H+](Cc1ccc(F)c(-c2cccs2)c1)C1CC[NH+](CCO)CC1 ZINC000353360848 456645609 /nfs/dbraw/zinc/64/56/09/456645609.db2.gz MSNFOKNVZJQDNI-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000338012362 456656215 /nfs/dbraw/zinc/65/62/15/456656215.db2.gz LXUAQNHNUNIYLM-UKRRQHHQSA-N 2 2 332.245 3.238 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025609 456656984 /nfs/dbraw/zinc/65/69/84/456656984.db2.gz ATEIRGKPIULHCB-RBUKOAKNSA-N 2 2 331.504 3.012 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277025609 456656990 /nfs/dbraw/zinc/65/69/90/456656990.db2.gz ATEIRGKPIULHCB-RBUKOAKNSA-N 2 2 331.504 3.012 20 0 EGADLP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085344 456675540 /nfs/dbraw/zinc/67/55/40/456675540.db2.gz FOSNPQYGICMJIL-GXTWGEPZSA-N 2 2 347.532 3.367 20 0 EGADLP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@@H]([NH+](C)C)CC3)nc(N)c2c1C ZINC000277085344 456675547 /nfs/dbraw/zinc/67/55/47/456675547.db2.gz FOSNPQYGICMJIL-GXTWGEPZSA-N 2 2 347.532 3.367 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000282992478 456684100 /nfs/dbraw/zinc/68/41/00/456684100.db2.gz FQWATWDAAWFGNS-FCDRMGDPSA-N 2 2 342.483 3.241 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c2ccccc21 ZINC000282992478 456684104 /nfs/dbraw/zinc/68/41/04/456684104.db2.gz FQWATWDAAWFGNS-FCDRMGDPSA-N 2 2 342.483 3.241 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542005 456695162 /nfs/dbraw/zinc/69/51/62/456695162.db2.gz SZJBXKSSSSOVKI-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542005 456695168 /nfs/dbraw/zinc/69/51/68/456695168.db2.gz SZJBXKSSSSOVKI-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542005 456695174 /nfs/dbraw/zinc/69/51/74/456695174.db2.gz SZJBXKSSSSOVKI-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cncc(Br)c2)C[C@@H]1C ZINC000343542005 456695180 /nfs/dbraw/zinc/69/51/80/456695180.db2.gz SZJBXKSSSSOVKI-SWLSCSKDSA-N 2 2 326.282 3.149 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)co2)cc1 ZINC000277168703 456706239 /nfs/dbraw/zinc/70/62/39/456706239.db2.gz KOHCDHMAKFWCSW-QGZVFWFLSA-N 2 2 329.444 3.266 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)co2)cc1 ZINC000277168703 456706243 /nfs/dbraw/zinc/70/62/43/456706243.db2.gz KOHCDHMAKFWCSW-QGZVFWFLSA-N 2 2 329.444 3.266 20 0 EGADLP c1ccc(C(c2ccccc2)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000283143436 456721402 /nfs/dbraw/zinc/72/14/02/456721402.db2.gz ODCTWXINWRZZIH-LJQANCHMSA-N 2 2 336.479 3.430 20 0 EGADLP c1ccc(C(c2ccccc2)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000283143436 456721407 /nfs/dbraw/zinc/72/14/07/456721407.db2.gz ODCTWXINWRZZIH-LJQANCHMSA-N 2 2 336.479 3.430 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000299602457 456740888 /nfs/dbraw/zinc/74/08/88/456740888.db2.gz VXFSSRPUXSHKIM-YLJYHZDGSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000299602457 456740891 /nfs/dbraw/zinc/74/08/91/456740891.db2.gz VXFSSRPUXSHKIM-YLJYHZDGSA-N 2 2 334.479 3.303 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277252966 456745788 /nfs/dbraw/zinc/74/57/88/456745788.db2.gz QJLWJULRWUNJKP-ABSDTBQOSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277252966 456745792 /nfs/dbraw/zinc/74/57/92/456745792.db2.gz QJLWJULRWUNJKP-ABSDTBQOSA-N 2 2 345.531 3.231 20 0 EGADLP CCc1nc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000343632104 456758510 /nfs/dbraw/zinc/75/85/10/456758510.db2.gz RKTULBGYECKDOF-NRFANRHFSA-N 2 2 336.483 3.450 20 0 EGADLP CCc1nc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(C)[nH+]1 ZINC000343632104 456758515 /nfs/dbraw/zinc/75/85/15/456758515.db2.gz RKTULBGYECKDOF-NRFANRHFSA-N 2 2 336.483 3.450 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c(Cl)cccc3OC)CC2)c1 ZINC000338305175 456761939 /nfs/dbraw/zinc/76/19/39/456761939.db2.gz KUXATQNEXDKFFY-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722374 456769056 /nfs/dbraw/zinc/76/90/56/456769056.db2.gz DWZDJWLSAMAYJT-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722374 456769063 /nfs/dbraw/zinc/76/90/63/456769063.db2.gz DWZDJWLSAMAYJT-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722374 456769066 /nfs/dbraw/zinc/76/90/66/456769066.db2.gz DWZDJWLSAMAYJT-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP C[C@@H](c1cc(F)ccc1F)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343722374 456769071 /nfs/dbraw/zinc/76/90/71/456769071.db2.gz DWZDJWLSAMAYJT-CABCVRRESA-N 2 2 337.458 3.126 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277347040 456787873 /nfs/dbraw/zinc/78/78/73/456787873.db2.gz DMZDGSIVQCODOM-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277347040 456787879 /nfs/dbraw/zinc/78/78/79/456787879.db2.gz DMZDGSIVQCODOM-CQSZACIVSA-N 2 2 328.403 3.213 20 0 EGADLP Clc1cccc(N2CC[NH+](CCCNc3cccc[nH+]3)CC2)c1 ZINC000301192522 456819614 /nfs/dbraw/zinc/81/96/14/456819614.db2.gz MSNSDDBDNYNQGQ-UHFFFAOYSA-N 2 2 330.863 3.359 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@@H+]1Cc1ccccc1 ZINC000277420468 456820004 /nfs/dbraw/zinc/82/00/04/456820004.db2.gz APPNGKVBKPKIHZ-UKRRQHHQSA-N 2 2 348.384 3.156 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)C[N@H+]1Cc1ccccc1 ZINC000277420468 456820009 /nfs/dbraw/zinc/82/00/09/456820009.db2.gz APPNGKVBKPKIHZ-UKRRQHHQSA-N 2 2 348.384 3.156 20 0 EGADLP CC(C)Cc1ccc([C@@H](C[NH2+][C@H](C)Cn2cccn2)[NH+](C)C)cc1 ZINC000348702018 456820231 /nfs/dbraw/zinc/82/02/31/456820231.db2.gz PZKDGMKVNIPKLX-YLJYHZDGSA-N 2 2 328.504 3.363 20 0 EGADLP Cc1ccc([C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000301225110 456826177 /nfs/dbraw/zinc/82/61/77/456826177.db2.gz DCZFRYNAGNUNJI-GOSISDBHSA-N 2 2 339.487 3.490 20 0 EGADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccnc1 ZINC000341315111 456842599 /nfs/dbraw/zinc/84/25/99/456842599.db2.gz QRWXHYDUVHFHKC-OAQYLSRUSA-N 2 2 338.499 3.470 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000353671836 456845877 /nfs/dbraw/zinc/84/58/77/456845877.db2.gz OQEPURJUHKHACY-IOJLRTSASA-N 3 2 338.499 3.231 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000353671836 456845881 /nfs/dbraw/zinc/84/58/81/456845881.db2.gz OQEPURJUHKHACY-IOJLRTSASA-N 3 2 338.499 3.231 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353679557 456851061 /nfs/dbraw/zinc/85/10/61/456851061.db2.gz PGWFSQAQDXJHTG-HZPDHXFCSA-N 2 2 343.475 3.214 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000338686318 456851797 /nfs/dbraw/zinc/85/17/97/456851797.db2.gz FTIIQGVBKCZSAY-IPELMVKDSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000338686318 456851799 /nfs/dbraw/zinc/85/17/99/456851799.db2.gz FTIIQGVBKCZSAY-IPELMVKDSA-N 2 2 330.472 3.242 20 0 EGADLP CN(CCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000341362541 456855669 /nfs/dbraw/zinc/85/56/69/456855669.db2.gz CUOVGCHWSQDEDZ-UHFFFAOYSA-N 2 2 338.499 3.162 20 0 EGADLP CC(C)=CCC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000348784715 456855834 /nfs/dbraw/zinc/85/58/34/456855834.db2.gz OVIPMQOCBKVHFF-XUBOLADHSA-N 2 2 349.563 3.432 20 0 EGADLP CC(C)=CCC[C@@H](C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000348784715 456855840 /nfs/dbraw/zinc/85/58/40/456855840.db2.gz OVIPMQOCBKVHFF-XUBOLADHSA-N 2 2 349.563 3.432 20 0 EGADLP CC(C)n1cc2c(n1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000345018209 456898862 /nfs/dbraw/zinc/89/88/62/456898862.db2.gz HWESRQUKVMIYSX-SFHVURJKSA-N 2 2 335.455 3.297 20 0 EGADLP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000349335497 456946761 /nfs/dbraw/zinc/94/67/61/456946761.db2.gz VACIUYSEHJTFAD-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000349335497 456946766 /nfs/dbraw/zinc/94/67/66/456946766.db2.gz VACIUYSEHJTFAD-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000349335497 456946770 /nfs/dbraw/zinc/94/67/70/456946770.db2.gz VACIUYSEHJTFAD-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000349335497 456946774 /nfs/dbraw/zinc/94/67/74/456946774.db2.gz VACIUYSEHJTFAD-INIZCTEOSA-N 2 2 335.923 3.249 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000349405439 456963481 /nfs/dbraw/zinc/96/34/81/456963481.db2.gz IKYAACKGROAWPW-UHFFFAOYSA-N 2 2 332.467 3.402 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000349405439 456963482 /nfs/dbraw/zinc/96/34/82/456963482.db2.gz IKYAACKGROAWPW-UHFFFAOYSA-N 2 2 332.467 3.402 20 0 EGADLP Fc1ccc(-c2ccc(C[NH+]3CCN(Cc4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000353924598 456967778 /nfs/dbraw/zinc/96/77/78/456967778.db2.gz SZVYZWPABHWBPS-UHFFFAOYSA-N 2 2 340.402 3.127 20 0 EGADLP CC[C@@H](C[NH2+]CCC(C)(C)C(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000353935121 456971861 /nfs/dbraw/zinc/97/18/61/456971861.db2.gz VJKLPHGCNOLUKZ-SFHVURJKSA-N 2 2 332.488 3.002 20 0 EGADLP CC[C@@H](C[NH2+]CCC(C)(C)C(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000353935121 456971863 /nfs/dbraw/zinc/97/18/63/456971863.db2.gz VJKLPHGCNOLUKZ-SFHVURJKSA-N 2 2 332.488 3.002 20 0 EGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353957259 456978955 /nfs/dbraw/zinc/97/89/55/456978955.db2.gz ORGSIEAHSJFJQL-FCFHUKJJSA-N 2 2 349.563 3.265 20 0 EGADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353957259 456978960 /nfs/dbraw/zinc/97/89/60/456978960.db2.gz ORGSIEAHSJFJQL-FCFHUKJJSA-N 2 2 349.563 3.265 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000339180541 456979697 /nfs/dbraw/zinc/97/96/97/456979697.db2.gz CBAAOWHUEXIJDJ-HXUWFJFHSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000339180541 456979701 /nfs/dbraw/zinc/97/97/01/456979701.db2.gz CBAAOWHUEXIJDJ-HXUWFJFHSA-N 2 2 344.886 3.157 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c[nH+]1 ZINC000339185706 456982894 /nfs/dbraw/zinc/98/28/94/456982894.db2.gz WXZWQWZTFOGIOR-AWEZNQCLSA-N 2 2 326.444 3.023 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c[nH+]1 ZINC000339185706 456982898 /nfs/dbraw/zinc/98/28/98/456982898.db2.gz WXZWQWZTFOGIOR-AWEZNQCLSA-N 2 2 326.444 3.023 20 0 EGADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C)c1ccccc1 ZINC000341890713 456988333 /nfs/dbraw/zinc/98/83/33/456988333.db2.gz QFMSBJWOWYSDJT-IZZBFERCSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890713 456988336 /nfs/dbraw/zinc/98/83/36/456988336.db2.gz QFMSBJWOWYSDJT-IZZBFERCSA-N 3 2 347.547 3.014 20 0 EGADLP COCC[NH+](C)CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000341890713 456988338 /nfs/dbraw/zinc/98/83/38/456988338.db2.gz QFMSBJWOWYSDJT-IZZBFERCSA-N 3 2 347.547 3.014 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046622 457030948 /nfs/dbraw/zinc/03/09/48/457030948.db2.gz DXRUWYLIXLWJKM-VQTJNVASSA-N 2 2 349.563 3.221 20 0 EGADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354046622 457030954 /nfs/dbraw/zinc/03/09/54/457030954.db2.gz DXRUWYLIXLWJKM-VQTJNVASSA-N 2 2 349.563 3.221 20 0 EGADLP CN(C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661969 457032735 /nfs/dbraw/zinc/03/27/35/457032735.db2.gz HIMXFSXAKCTQTJ-APWZRJJASA-N 2 2 335.455 3.098 20 0 EGADLP CN(C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1[nH+]c2ccccc2n1C ZINC000362661969 457032742 /nfs/dbraw/zinc/03/27/42/457032742.db2.gz HIMXFSXAKCTQTJ-APWZRJJASA-N 2 2 335.455 3.098 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nnc(C(C)C)o3)C1)CCCC2 ZINC000330349995 457033215 /nfs/dbraw/zinc/03/32/15/457033215.db2.gz KOMTUVLHSOOQRO-AWEZNQCLSA-N 2 2 329.448 3.024 20 0 EGADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nnc(C(C)C)o3)C1)CCCC2 ZINC000330349995 457033222 /nfs/dbraw/zinc/03/32/22/457033222.db2.gz KOMTUVLHSOOQRO-AWEZNQCLSA-N 2 2 329.448 3.024 20 0 EGADLP Cc1cccc2[nH+]cc(CN3CC[NH+](CCc4ccccc4)CC3)n21 ZINC000349751041 457038626 /nfs/dbraw/zinc/03/86/26/457038626.db2.gz WVSATLMRJQONSY-UHFFFAOYSA-N 2 2 334.467 3.003 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000356535227 457041827 /nfs/dbraw/zinc/04/18/27/457041827.db2.gz XBQIBAIRVFQBQC-IRXDYDNUSA-N 2 2 329.469 3.467 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)c2)c[nH+]1 ZINC000356535227 457041833 /nfs/dbraw/zinc/04/18/33/457041833.db2.gz XBQIBAIRVFQBQC-IRXDYDNUSA-N 2 2 329.469 3.467 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000359669444 457108334 /nfs/dbraw/zinc/10/83/34/457108334.db2.gz DBYHXMLZBWPSFD-JXFKEZNVSA-N 2 2 326.488 3.319 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432527 457114736 /nfs/dbraw/zinc/11/47/36/457114736.db2.gz ATVGFJSJGGOXTQ-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1 ZINC000339432527 457114743 /nfs/dbraw/zinc/11/47/43/457114743.db2.gz ATVGFJSJGGOXTQ-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1 ZINC000339432527 457114746 /nfs/dbraw/zinc/11/47/46/457114746.db2.gz ATVGFJSJGGOXTQ-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1 ZINC000339432527 457114749 /nfs/dbraw/zinc/11/47/49/457114749.db2.gz ATVGFJSJGGOXTQ-GHTZIAJQSA-N 2 2 343.515 3.357 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@@H+]1C1CC1 ZINC000346697058 457117779 /nfs/dbraw/zinc/11/77/79/457117779.db2.gz ZUVAZYVGVQWRMQ-STQMWFEESA-N 2 2 334.414 3.189 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)C[N@H+]1C1CC1 ZINC000346697058 457117784 /nfs/dbraw/zinc/11/77/84/457117784.db2.gz ZUVAZYVGVQWRMQ-STQMWFEESA-N 2 2 334.414 3.189 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC(F)F ZINC000339437301 457118502 /nfs/dbraw/zinc/11/85/02/457118502.db2.gz MYHXIKMUBGQDPS-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OC(F)F ZINC000339437301 457118506 /nfs/dbraw/zinc/11/85/06/457118506.db2.gz MYHXIKMUBGQDPS-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OC(F)F ZINC000339437301 457118509 /nfs/dbraw/zinc/11/85/09/457118509.db2.gz MYHXIKMUBGQDPS-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OC(F)F ZINC000339437301 457118517 /nfs/dbraw/zinc/11/85/17/457118517.db2.gz MYHXIKMUBGQDPS-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342171293 457147295 /nfs/dbraw/zinc/14/72/95/457147295.db2.gz RCFSSUWVSLJSGQ-GOSISDBHSA-N 2 2 343.515 3.119 20 0 EGADLP CC(C)Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)cn1 ZINC000359946302 457163846 /nfs/dbraw/zinc/16/38/46/457163846.db2.gz JFKSOAJHESVVIL-MRXNPFEDSA-N 2 2 329.492 3.138 20 0 EGADLP CCc1noc(CC)c1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356835925 457180375 /nfs/dbraw/zinc/18/03/75/457180375.db2.gz CTKHDJSGICISMC-UHFFFAOYSA-N 2 2 333.398 3.306 20 0 EGADLP CCN1CCN(c2c(C)c[nH+]c3c(C)cccc32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000359989808 457188807 /nfs/dbraw/zinc/18/88/07/457188807.db2.gz AQIXSCXVJOBSBF-QGZVFWFLSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@@H+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C[C@@H]1c1ncc[nH]1 ZINC000359989808 457188809 /nfs/dbraw/zinc/18/88/09/457188809.db2.gz AQIXSCXVJOBSBF-QGZVFWFLSA-N 2 2 335.455 3.458 20 0 EGADLP CC[N@H+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)C[C@@H]1c1ncc[nH]1 ZINC000359989808 457188813 /nfs/dbraw/zinc/18/88/13/457188813.db2.gz AQIXSCXVJOBSBF-QGZVFWFLSA-N 2 2 335.455 3.458 20 0 EGADLP CCN1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@H]1c1[nH]cc[nH+]1 ZINC000359994594 457192265 /nfs/dbraw/zinc/19/22/65/457192265.db2.gz QEVOXFNAKWAXKX-SFHVURJKSA-N 2 2 339.418 3.289 20 0 EGADLP CC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@H]1c1ncc[nH]1 ZINC000359994594 457192269 /nfs/dbraw/zinc/19/22/69/457192269.db2.gz QEVOXFNAKWAXKX-SFHVURJKSA-N 2 2 339.418 3.289 20 0 EGADLP CC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@H]1c1ncc[nH]1 ZINC000359994594 457192273 /nfs/dbraw/zinc/19/22/73/457192273.db2.gz QEVOXFNAKWAXKX-SFHVURJKSA-N 2 2 339.418 3.289 20 0 EGADLP CCC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)C1CC[NH2+]CC1 ZINC000347034406 457197732 /nfs/dbraw/zinc/19/77/32/457197732.db2.gz FZDRZXSZFBCSGO-UHFFFAOYSA-N 2 2 335.521 3.187 20 0 EGADLP CCC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)C1CC[NH2+]CC1 ZINC000347034406 457197736 /nfs/dbraw/zinc/19/77/36/457197736.db2.gz FZDRZXSZFBCSGO-UHFFFAOYSA-N 2 2 335.521 3.187 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](CC4CC4)C3)c2cc1C ZINC000339672155 457204365 /nfs/dbraw/zinc/20/43/65/457204365.db2.gz GMMYKZAAERWHHW-MSOLQXFVSA-N 2 2 327.472 3.136 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](CC4CC4)C3)c2cc1C ZINC000339672155 457204369 /nfs/dbraw/zinc/20/43/69/457204369.db2.gz GMMYKZAAERWHHW-MSOLQXFVSA-N 2 2 327.472 3.136 20 0 EGADLP COC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000360045589 457223596 /nfs/dbraw/zinc/22/35/96/457223596.db2.gz LIIXVOUSDDTUOC-WFASDCNBSA-N 2 2 327.350 3.268 20 0 EGADLP CCOC(=O)c1coc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH+](CC)CC)c1 ZINC000354453064 457232402 /nfs/dbraw/zinc/23/24/02/457232402.db2.gz DKGUPUQJYMAYJX-CRAIPNDOSA-N 2 2 336.476 3.447 20 0 EGADLP CCOCc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1OC ZINC000347111496 457234526 /nfs/dbraw/zinc/23/45/26/457234526.db2.gz QRTNGHIRDZPYHQ-UHFFFAOYSA-N 2 2 332.488 3.196 20 0 EGADLP Fc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1OC(F)F ZINC000347116701 457237629 /nfs/dbraw/zinc/23/76/29/457237629.db2.gz WJUOOJGKSNHLAR-UHFFFAOYSA-N 2 2 328.378 3.391 20 0 EGADLP Cc1cnc([C@H](C)[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000357000873 457267750 /nfs/dbraw/zinc/26/77/50/457267750.db2.gz LYJGSQWFTKCYIK-KRWDZBQOSA-N 3 2 348.535 3.172 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000357000873 457267757 /nfs/dbraw/zinc/26/77/57/457267757.db2.gz LYJGSQWFTKCYIK-KRWDZBQOSA-N 3 2 348.535 3.172 20 0 EGADLP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038381 457291850 /nfs/dbraw/zinc/29/18/50/457291850.db2.gz MIVNXSASXPHKQE-BZSNNMDCSA-N 2 2 331.504 3.281 20 0 EGADLP CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000357038381 457291855 /nfs/dbraw/zinc/29/18/55/457291855.db2.gz MIVNXSASXPHKQE-BZSNNMDCSA-N 2 2 331.504 3.281 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)c1cccc(F)c1 ZINC000357036703 457291872 /nfs/dbraw/zinc/29/18/72/457291872.db2.gz JTZPPMDGHVZSJO-NVXWUHKLSA-N 2 2 339.418 3.012 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848090 457309801 /nfs/dbraw/zinc/30/98/01/457309801.db2.gz SECAQLOWMIGPTQ-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(Br)s2)C1 ZINC000339848090 457309809 /nfs/dbraw/zinc/30/98/09/457309809.db2.gz SECAQLOWMIGPTQ-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(Br)s2)C1 ZINC000339848090 457309812 /nfs/dbraw/zinc/30/98/12/457309812.db2.gz SECAQLOWMIGPTQ-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000339848090 457309819 /nfs/dbraw/zinc/30/98/19/457309819.db2.gz SECAQLOWMIGPTQ-AAEUAGOBSA-N 2 2 329.307 3.427 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000347325467 457352862 /nfs/dbraw/zinc/35/28/62/457352862.db2.gz DUOAQTSFZODBSG-UKAVVXHISA-N 2 2 345.531 3.475 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000347325467 457352866 /nfs/dbraw/zinc/35/28/66/457352866.db2.gz DUOAQTSFZODBSG-UKAVVXHISA-N 2 2 345.531 3.475 20 0 EGADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000360796421 457357812 /nfs/dbraw/zinc/35/78/12/457357812.db2.gz GJLAYGRSINZAFJ-SJORKVTESA-N 2 2 349.523 3.260 20 0 EGADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000360796421 457357817 /nfs/dbraw/zinc/35/78/17/457357817.db2.gz GJLAYGRSINZAFJ-SJORKVTESA-N 2 2 349.523 3.260 20 0 EGADLP COc1ccc(-c2nc(C[N@H+](CCC[NH3+])CC3CCCC3)no2)cc1 ZINC000352495407 457413881 /nfs/dbraw/zinc/41/38/81/457413881.db2.gz LNGVJKFYPAEFNO-UHFFFAOYSA-N 2 2 344.459 3.086 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+](CCC[NH3+])CC3CCCC3)no2)cc1 ZINC000352495407 457413892 /nfs/dbraw/zinc/41/38/92/457413892.db2.gz LNGVJKFYPAEFNO-UHFFFAOYSA-N 2 2 344.459 3.086 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360894145 457415188 /nfs/dbraw/zinc/41/51/88/457415188.db2.gz MLUIQGCOTQTCNB-PXNSSMCTSA-N 2 2 345.531 3.403 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000360894145 457415196 /nfs/dbraw/zinc/41/51/96/457415196.db2.gz MLUIQGCOTQTCNB-PXNSSMCTSA-N 2 2 345.531 3.403 20 0 EGADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3Oc3cc[nH+]cc3)[C@@H]2C1 ZINC000425065903 457427408 /nfs/dbraw/zinc/42/74/08/457427408.db2.gz MHAXVCDVNNLFLB-MAUKXSAKSA-N 2 2 337.423 3.040 20 0 EGADLP C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3Oc3cc[nH+]cc3)[C@@H]2C1 ZINC000425065903 457427421 /nfs/dbraw/zinc/42/74/21/457427421.db2.gz MHAXVCDVNNLFLB-MAUKXSAKSA-N 2 2 337.423 3.040 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1cccs1 ZINC000352512398 457429182 /nfs/dbraw/zinc/42/91/82/457429182.db2.gz XKUXOEUGECPLAS-YOEHRIQHSA-N 2 2 337.533 3.155 20 0 EGADLP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1cccs1 ZINC000352512398 457429188 /nfs/dbraw/zinc/42/91/88/457429188.db2.gz XKUXOEUGECPLAS-YOEHRIQHSA-N 2 2 337.533 3.155 20 0 EGADLP COCc1cc(NC[C@H](c2ccco2)[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000357307530 457435702 /nfs/dbraw/zinc/43/57/02/457435702.db2.gz CONGNHBTWWKYEH-GOSISDBHSA-N 2 2 343.402 3.250 20 0 EGADLP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352535671 457445952 /nfs/dbraw/zinc/44/59/52/457445952.db2.gz UGKYFUVCNVLWTB-AWEZNQCLSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(Br)ccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352535671 457445957 /nfs/dbraw/zinc/44/59/57/457445957.db2.gz UGKYFUVCNVLWTB-AWEZNQCLSA-N 2 2 327.266 3.161 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)[nH+]1 ZINC000369900669 457451566 /nfs/dbraw/zinc/45/15/66/457451566.db2.gz PYZLKJVRNRQNAH-QGZVFWFLSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)[nH+]1 ZINC000369900669 457451573 /nfs/dbraw/zinc/45/15/73/457451573.db2.gz PYZLKJVRNRQNAH-QGZVFWFLSA-N 2 2 338.455 3.213 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC000360958400 457465214 /nfs/dbraw/zinc/46/52/14/457465214.db2.gz SYNQUZARZAUURW-GJZGRUSLSA-N 2 2 332.448 3.320 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccco2)no1 ZINC000360958402 457465914 /nfs/dbraw/zinc/46/59/14/457465914.db2.gz SYNQUZARZAUURW-LSDHHAIUSA-N 2 2 332.448 3.320 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(COC)s1 ZINC000357362237 457473093 /nfs/dbraw/zinc/47/30/93/457473093.db2.gz ZRSGFCFAQOGPMR-GOEBONIOSA-N 2 2 325.522 3.280 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230778 457476391 /nfs/dbraw/zinc/47/63/91/457476391.db2.gz VRLYTEUUSZSCPS-JBACZVJFSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230778 457476395 /nfs/dbraw/zinc/47/63/95/457476395.db2.gz VRLYTEUUSZSCPS-JBACZVJFSA-N 3 2 329.532 3.409 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134601 457477194 /nfs/dbraw/zinc/47/71/94/457477194.db2.gz YOIPPJRUQRQTQM-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134601 457477199 /nfs/dbraw/zinc/47/71/99/457477199.db2.gz YOIPPJRUQRQTQM-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134601 457477206 /nfs/dbraw/zinc/47/72/06/457477206.db2.gz YOIPPJRUQRQTQM-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)CC[C@H]21 ZINC000356134601 457477212 /nfs/dbraw/zinc/47/72/12/457477212.db2.gz YOIPPJRUQRQTQM-CZUORRHYSA-N 2 2 328.378 3.327 20 0 EGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000397302549 457485966 /nfs/dbraw/zinc/48/59/66/457485966.db2.gz FFPNMPVUTGRUKL-MBNYWOFBSA-N 2 2 334.851 3.195 20 0 EGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000397302549 457485972 /nfs/dbraw/zinc/48/59/72/457485972.db2.gz FFPNMPVUTGRUKL-MBNYWOFBSA-N 2 2 334.851 3.195 20 0 EGADLP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314978 457494240 /nfs/dbraw/zinc/49/42/40/457494240.db2.gz KBJNXOSWFXWHPJ-WMZOPIPTSA-N 2 2 342.487 3.168 20 0 EGADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425314978 457494248 /nfs/dbraw/zinc/49/42/48/457494248.db2.gz KBJNXOSWFXWHPJ-WMZOPIPTSA-N 2 2 342.487 3.168 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)n1C ZINC000425328825 457500364 /nfs/dbraw/zinc/50/03/64/457500364.db2.gz SEHGVRRLGNQFDT-HNNXBMFYSA-N 2 2 332.879 3.347 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)n1C ZINC000425328825 457500373 /nfs/dbraw/zinc/50/03/73/457500373.db2.gz SEHGVRRLGNQFDT-HNNXBMFYSA-N 2 2 332.879 3.347 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2csc(C)n2)[C@H](C)C1 ZINC000361005710 457505297 /nfs/dbraw/zinc/50/52/97/457505297.db2.gz WRLIBUWGBNRLAY-FMKPAKJESA-N 2 2 325.522 3.239 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2csc(C)n2)[C@H](C)C1 ZINC000361005710 457505306 /nfs/dbraw/zinc/50/53/06/457505306.db2.gz WRLIBUWGBNRLAY-FMKPAKJESA-N 2 2 325.522 3.239 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]2C ZINC000425365244 457520532 /nfs/dbraw/zinc/52/05/32/457520532.db2.gz YAOCOJBXKOLPOJ-UONOGXRCSA-N 2 2 328.460 3.003 20 0 EGADLP COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]2C ZINC000425365244 457520537 /nfs/dbraw/zinc/52/05/37/457520537.db2.gz YAOCOJBXKOLPOJ-UONOGXRCSA-N 2 2 328.460 3.003 20 0 EGADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401067302 457521527 /nfs/dbraw/zinc/52/15/27/457521527.db2.gz JACMRMPCWYSELX-HSALFYBXSA-N 3 2 327.516 3.019 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000401067302 457521535 /nfs/dbraw/zinc/52/15/35/457521535.db2.gz JACMRMPCWYSELX-HSALFYBXSA-N 3 2 327.516 3.019 20 0 EGADLP COC(=O)CC1CC([NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000425377951 457529354 /nfs/dbraw/zinc/52/93/54/457529354.db2.gz IMILBLTYJDCSCL-IVMJPEBNSA-N 2 2 339.439 3.043 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1C ZINC000342789806 457530304 /nfs/dbraw/zinc/53/03/04/457530304.db2.gz YCXUMGHGHZRVDD-VQTJNVASSA-N 2 2 338.499 3.215 20 0 EGADLP Cc1c[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000342789806 457530312 /nfs/dbraw/zinc/53/03/12/457530312.db2.gz YCXUMGHGHZRVDD-VQTJNVASSA-N 2 2 338.499 3.215 20 0 EGADLP CN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000361063792 457558759 /nfs/dbraw/zinc/55/87/59/457558759.db2.gz VSEBRVOGTUEQJL-UHFFFAOYSA-N 2 2 340.471 3.038 20 0 EGADLP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352738066 457570883 /nfs/dbraw/zinc/57/08/83/457570883.db2.gz MCIAXALWWNLNOP-PXAZEXFGSA-N 2 2 337.464 3.210 20 0 EGADLP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352757108 457585889 /nfs/dbraw/zinc/58/58/89/457585889.db2.gz DLMIZJPYOAQDDW-HUUCEWRRSA-N 2 2 325.522 3.278 20 0 EGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccccc1I ZINC000425923831 457653364 /nfs/dbraw/zinc/65/33/64/457653364.db2.gz OOEOELMFMVEPGB-NWDGAFQWSA-N 2 2 346.256 3.140 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000370664851 457694927 /nfs/dbraw/zinc/69/49/27/457694927.db2.gz KZBGVYVEKVBRIE-ZACQAIPSSA-N 2 2 347.507 3.012 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022238 457742529 /nfs/dbraw/zinc/74/25/29/457742529.db2.gz IPEALTVMHYKYJV-LAPQFRIASA-N 2 2 342.462 3.453 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000358022238 457742533 /nfs/dbraw/zinc/74/25/33/457742533.db2.gz IPEALTVMHYKYJV-LAPQFRIASA-N 2 2 342.462 3.453 20 0 EGADLP CCC(CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCCC1 ZINC000457607960 457763252 /nfs/dbraw/zinc/76/32/52/457763252.db2.gz IMNRTLSHDGAGDX-PVAVHDDUSA-N 2 2 347.507 3.089 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000444005904 457840394 /nfs/dbraw/zinc/84/03/94/457840394.db2.gz ZBIGYGUAROAXCK-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000444005904 457840401 /nfs/dbraw/zinc/84/04/01/457840401.db2.gz ZBIGYGUAROAXCK-FQEVSTJZSA-N 2 2 344.886 3.375 20 0 EGADLP CC[NH+](CC)CCSCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000371253344 457840671 /nfs/dbraw/zinc/84/06/71/457840671.db2.gz JIVGELMNMVPZQL-UHFFFAOYSA-N 2 2 346.500 3.399 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1Cl ZINC000371291930 457850783 /nfs/dbraw/zinc/85/07/83/457850783.db2.gz AIDGGCJHDWMZHB-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(F)cc1Cl ZINC000371291930 457850792 /nfs/dbraw/zinc/85/07/92/457850792.db2.gz AIDGGCJHDWMZHB-DJIMGWMZSA-N 2 2 326.843 3.163 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303399 457856332 /nfs/dbraw/zinc/85/63/32/457856332.db2.gz OJMUYDPMJWAJIP-GCJKJVERSA-N 2 2 337.511 3.298 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303399 457856341 /nfs/dbraw/zinc/85/63/41/457856341.db2.gz OJMUYDPMJWAJIP-GCJKJVERSA-N 2 2 337.511 3.298 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000371331167 457870741 /nfs/dbraw/zinc/87/07/41/457870741.db2.gz FSFBMJUBENPNNE-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000371331167 457870748 /nfs/dbraw/zinc/87/07/48/457870748.db2.gz FSFBMJUBENPNNE-QGZVFWFLSA-N 2 2 339.886 3.079 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000411428779 457885756 /nfs/dbraw/zinc/88/57/56/457885756.db2.gz PHLHKPHKRPKESS-CQSZACIVSA-N 2 2 326.400 3.123 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000411428779 457885761 /nfs/dbraw/zinc/88/57/61/457885761.db2.gz PHLHKPHKRPKESS-CQSZACIVSA-N 2 2 326.400 3.123 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000361836535 457896862 /nfs/dbraw/zinc/89/68/62/457896862.db2.gz GGLKSIZREJXTRE-IEBWSBKVSA-N 3 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@H]1C ZINC000361836535 457896863 /nfs/dbraw/zinc/89/68/63/457896863.db2.gz GGLKSIZREJXTRE-IEBWSBKVSA-N 3 2 326.488 3.485 20 0 EGADLP CCOC(=O)[C@H](C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361851932 457907980 /nfs/dbraw/zinc/90/79/80/457907980.db2.gz ZZAZKLKZDLHIIV-HNNXBMFYSA-N 2 2 327.428 3.097 20 0 EGADLP CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361851932 457907986 /nfs/dbraw/zinc/90/79/86/457907986.db2.gz ZZAZKLKZDLHIIV-HNNXBMFYSA-N 2 2 327.428 3.097 20 0 EGADLP Cc1ccsc1CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000358302087 457920800 /nfs/dbraw/zinc/92/08/00/457920800.db2.gz SIOAJLUWBQGOTK-UHFFFAOYSA-N 2 2 336.424 3.235 20 0 EGADLP CC1(C)C[S@](=O)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411603405 457927648 /nfs/dbraw/zinc/92/76/48/457927648.db2.gz MDFPZVKCEYCXCC-HSZRJFAPSA-N 2 2 334.529 3.015 20 0 EGADLP CC1(C)C[S@](=O)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411603405 457927657 /nfs/dbraw/zinc/92/76/57/457927657.db2.gz MDFPZVKCEYCXCC-HSZRJFAPSA-N 2 2 334.529 3.015 20 0 EGADLP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358315784 457929293 /nfs/dbraw/zinc/92/92/93/457929293.db2.gz HATOSNUFFOTZIC-WMZOPIPTSA-N 2 2 341.455 3.251 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187239 457931496 /nfs/dbraw/zinc/93/14/96/457931496.db2.gz PYFGBTCPKMLLFL-WMZOPIPTSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187239 457931501 /nfs/dbraw/zinc/93/15/01/457931501.db2.gz PYFGBTCPKMLLFL-WMZOPIPTSA-N 2 2 326.488 3.371 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328433 457936700 /nfs/dbraw/zinc/93/67/00/457936700.db2.gz LTVLCPZDJJFEQT-NLEAXPPASA-N 2 2 346.515 3.242 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H](OC2CCOCC2)c2ccccc2)C1 ZINC000358328433 457936704 /nfs/dbraw/zinc/93/67/04/457936704.db2.gz LTVLCPZDJJFEQT-NLEAXPPASA-N 2 2 346.515 3.242 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000358336389 457942636 /nfs/dbraw/zinc/94/26/36/457942636.db2.gz PSDAOLJEROVRHF-XLIONFOSSA-N 2 2 345.531 3.136 20 0 EGADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000358336389 457942644 /nfs/dbraw/zinc/94/26/44/457942644.db2.gz PSDAOLJEROVRHF-XLIONFOSSA-N 2 2 345.531 3.136 20 0 EGADLP CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000371477766 457953266 /nfs/dbraw/zinc/95/32/66/457953266.db2.gz OVZXXKLRYVWEIN-ALOPSCKCSA-N 2 2 348.491 3.183 20 0 EGADLP CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000371477766 457953272 /nfs/dbraw/zinc/95/32/72/457953272.db2.gz OVZXXKLRYVWEIN-ALOPSCKCSA-N 2 2 348.491 3.183 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766591 457975145 /nfs/dbraw/zinc/97/51/45/457975145.db2.gz KEWXACNGVXUHKF-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766591 457975147 /nfs/dbraw/zinc/97/51/47/457975147.db2.gz KEWXACNGVXUHKF-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766591 457975150 /nfs/dbraw/zinc/97/51/50/457975150.db2.gz KEWXACNGVXUHKF-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4ncco4)cc3F)C2)C1 ZINC000411766591 457975152 /nfs/dbraw/zinc/97/51/52/457975152.db2.gz KEWXACNGVXUHKF-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP CC[NH+](Cc1occc1C)CC(O)C[N@@H+](CC)Cc1occc1C ZINC000412028035 458052442 /nfs/dbraw/zinc/05/24/42/458052442.db2.gz RHISYQLLPXMHHD-UHFFFAOYSA-N 2 2 334.460 3.194 20 0 EGADLP CC[NH+](Cc1occc1C)CC(O)C[N@H+](CC)Cc1occc1C ZINC000412028035 458052450 /nfs/dbraw/zinc/05/24/50/458052450.db2.gz RHISYQLLPXMHHD-UHFFFAOYSA-N 2 2 334.460 3.194 20 0 EGADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C2CC2)CC1 ZINC000371877959 458107133 /nfs/dbraw/zinc/10/71/33/458107133.db2.gz CJFMTNLQHGAPAB-AQFXKWCLSA-N 2 2 344.503 3.159 20 0 EGADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C2CC2)CC1 ZINC000371877959 458107137 /nfs/dbraw/zinc/10/71/37/458107137.db2.gz CJFMTNLQHGAPAB-AQFXKWCLSA-N 2 2 344.503 3.159 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376178 458125695 /nfs/dbraw/zinc/12/56/95/458125695.db2.gz YPOYJMKWVKJPIZ-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376178 458125699 /nfs/dbraw/zinc/12/56/99/458125699.db2.gz YPOYJMKWVKJPIZ-UWVGGRQHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358657721 458133882 /nfs/dbraw/zinc/13/38/82/458133882.db2.gz CWAGKQJZWBZMDR-HNNXBMFYSA-N 2 2 344.890 3.315 20 0 EGADLP CC[N@H+](Cc1cc(O)ccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435395855 458135623 /nfs/dbraw/zinc/13/56/23/458135623.db2.gz VJRKDFKLYULVAP-CYBMUJFWSA-N 2 2 327.266 3.119 20 0 EGADLP CC[N@@H+](Cc1cc(O)ccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435395855 458135629 /nfs/dbraw/zinc/13/56/29/458135629.db2.gz VJRKDFKLYULVAP-CYBMUJFWSA-N 2 2 327.266 3.119 20 0 EGADLP COc1cccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425256 458142155 /nfs/dbraw/zinc/14/21/55/458142155.db2.gz CBJWTVLGAOFUIL-QGZVFWFLSA-N 2 2 343.496 3.296 20 0 EGADLP COc1cccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435425256 458142164 /nfs/dbraw/zinc/14/21/64/458142164.db2.gz CBJWTVLGAOFUIL-QGZVFWFLSA-N 2 2 343.496 3.296 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1cccc(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435422603 458142235 /nfs/dbraw/zinc/14/22/35/458142235.db2.gz MQHPHVBBMYRXDX-IBGZPJMESA-N 2 2 338.499 3.356 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1cccc(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435422603 458142241 /nfs/dbraw/zinc/14/22/41/458142241.db2.gz MQHPHVBBMYRXDX-IBGZPJMESA-N 2 2 338.499 3.356 20 0 EGADLP CCC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369295367 458161448 /nfs/dbraw/zinc/16/14/48/458161448.db2.gz VJTRBRYWCVKBRY-RBUKOAKNSA-N 2 2 349.563 3.268 20 0 EGADLP CCC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369295367 458161458 /nfs/dbraw/zinc/16/14/58/458161458.db2.gz VJTRBRYWCVKBRY-RBUKOAKNSA-N 2 2 349.563 3.268 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)c[nH+]c12 ZINC000428532903 458165083 /nfs/dbraw/zinc/16/50/83/458165083.db2.gz HRTSEOMDGPMBDI-UYAOXDASSA-N 2 2 339.414 3.038 20 0 EGADLP Cc1nc2ccccn2c1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435613544 458172290 /nfs/dbraw/zinc/17/22/90/458172290.db2.gz BTPTWCQEFUHBKR-LJQANCHMSA-N 2 2 349.482 3.182 20 0 EGADLP Cc1nc2ccccn2c1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435613544 458172297 /nfs/dbraw/zinc/17/22/97/458172297.db2.gz BTPTWCQEFUHBKR-LJQANCHMSA-N 2 2 349.482 3.182 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435613544 458172302 /nfs/dbraw/zinc/17/23/02/458172302.db2.gz BTPTWCQEFUHBKR-LJQANCHMSA-N 2 2 349.482 3.182 20 0 EGADLP CCCc1noc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435698065 458187179 /nfs/dbraw/zinc/18/71/79/458187179.db2.gz ZYMQYAMFRIUDLX-OAHLLOKOSA-N 2 2 346.500 3.228 20 0 EGADLP CCCc1noc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435698065 458187186 /nfs/dbraw/zinc/18/71/86/458187186.db2.gz ZYMQYAMFRIUDLX-OAHLLOKOSA-N 2 2 346.500 3.228 20 0 EGADLP c1coc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)c1 ZINC000369388181 458199946 /nfs/dbraw/zinc/19/99/46/458199946.db2.gz FRERMGOXMVOEEW-CQSZACIVSA-N 2 2 327.409 3.451 20 0 EGADLP c1coc(-c2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)c1 ZINC000369388181 458199951 /nfs/dbraw/zinc/19/99/51/458199951.db2.gz FRERMGOXMVOEEW-CQSZACIVSA-N 2 2 327.409 3.451 20 0 EGADLP C[NH2+]CCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000435886199 458217513 /nfs/dbraw/zinc/21/75/13/458217513.db2.gz UIKBPYDZUFIOCK-UHFFFAOYSA-N 2 2 334.895 3.243 20 0 EGADLP C[NH2+]CCC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000435886199 458217518 /nfs/dbraw/zinc/21/75/18/458217518.db2.gz UIKBPYDZUFIOCK-UHFFFAOYSA-N 2 2 334.895 3.243 20 0 EGADLP Cc1cnc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953624 458241322 /nfs/dbraw/zinc/24/13/22/458241322.db2.gz PFPVXDFOACKKCW-SXLOBPIMSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953624 458241327 /nfs/dbraw/zinc/24/13/27/458241327.db2.gz PFPVXDFOACKKCW-SXLOBPIMSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953624 458241331 /nfs/dbraw/zinc/24/13/31/458241331.db2.gz PFPVXDFOACKKCW-SXLOBPIMSA-N 2 2 336.483 3.300 20 0 EGADLP Cc1cnc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000428953624 458241335 /nfs/dbraw/zinc/24/13/35/458241335.db2.gz PFPVXDFOACKKCW-SXLOBPIMSA-N 2 2 336.483 3.300 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000436248758 458275290 /nfs/dbraw/zinc/27/52/90/458275290.db2.gz BPHAXODLBNFYNB-MRXNPFEDSA-N 2 2 325.456 3.405 20 0 EGADLP Cc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000447293198 458280187 /nfs/dbraw/zinc/28/01/87/458280187.db2.gz AEIYBZPBTJVBKE-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000447293198 458280190 /nfs/dbraw/zinc/28/01/90/458280190.db2.gz AEIYBZPBTJVBKE-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000447293198 458280193 /nfs/dbraw/zinc/28/01/93/458280193.db2.gz AEIYBZPBTJVBKE-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP Cc1ccc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(Cl)c1 ZINC000447293198 458280197 /nfs/dbraw/zinc/28/01/97/458280197.db2.gz AEIYBZPBTJVBKE-MRXNPFEDSA-N 2 2 335.923 3.249 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H]1C[NH3+] ZINC000429186438 458288994 /nfs/dbraw/zinc/28/89/94/458288994.db2.gz XIGOWYRCXDSPQU-RDTXWAMCSA-N 2 2 325.412 3.073 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000447540377 458308120 /nfs/dbraw/zinc/30/81/20/458308120.db2.gz CTJUFTWRPQGFKH-OXJNMPFZSA-N 2 2 326.488 3.154 20 0 EGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000447540377 458308124 /nfs/dbraw/zinc/30/81/24/458308124.db2.gz CTJUFTWRPQGFKH-OXJNMPFZSA-N 2 2 326.488 3.154 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531088 458340279 /nfs/dbraw/zinc/34/02/79/458340279.db2.gz AANKUISAFCGLJN-WBVHZDCISA-N 2 2 349.544 3.000 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429531088 458340284 /nfs/dbraw/zinc/34/02/84/458340284.db2.gz AANKUISAFCGLJN-WBVHZDCISA-N 2 2 349.544 3.000 20 0 EGADLP Cc1cc(F)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000459358661 458342233 /nfs/dbraw/zinc/34/22/33/458342233.db2.gz NBCOYFPTFPIHEZ-DOPJRALCSA-N 2 2 340.870 3.471 20 0 EGADLP Cc1cc(F)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Cl)c1 ZINC000459358661 458342237 /nfs/dbraw/zinc/34/22/37/458342237.db2.gz NBCOYFPTFPIHEZ-DOPJRALCSA-N 2 2 340.870 3.471 20 0 EGADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429556864 458343736 /nfs/dbraw/zinc/34/37/36/458343736.db2.gz ZDHHZWYWUNPLCC-IBGZPJMESA-N 2 2 339.568 3.323 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000429554885 458343607 /nfs/dbraw/zinc/34/36/07/458343607.db2.gz USVGXFTYJMDZBC-QGZVFWFLSA-N 2 2 326.444 3.185 20 0 EGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000429554885 458343612 /nfs/dbraw/zinc/34/36/12/458343612.db2.gz USVGXFTYJMDZBC-QGZVFWFLSA-N 2 2 326.444 3.185 20 0 EGADLP C[C@@H](C[NH+]1CCO[C@H](C(C)(C)C)C1)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447844815 458354551 /nfs/dbraw/zinc/35/45/51/458354551.db2.gz RRJVVOAKZUVGNH-NNZMDNLPSA-N 2 2 340.552 3.116 20 0 EGADLP C[C@@H](C[NH+]1CCO[C@H](C(C)(C)C)C1)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447844815 458354554 /nfs/dbraw/zinc/35/45/54/458354554.db2.gz RRJVVOAKZUVGNH-NNZMDNLPSA-N 2 2 340.552 3.116 20 0 EGADLP C[C@H](C[NH+]1CCO[C@@H](C(C)(C)C)C1)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447844815 458354558 /nfs/dbraw/zinc/35/45/58/458354558.db2.gz RRJVVOAKZUVGNH-NNZMDNLPSA-N 2 2 340.552 3.116 20 0 EGADLP C[C@H](C[NH+]1CCO[C@@H](C(C)(C)C)C1)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447844815 458354561 /nfs/dbraw/zinc/35/45/61/458354561.db2.gz RRJVVOAKZUVGNH-NNZMDNLPSA-N 2 2 340.552 3.116 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[N@H+](Cc2ccccc2)C1 ZINC000459451675 458376058 /nfs/dbraw/zinc/37/60/58/458376058.db2.gz LNPGFKXGKSUXQD-PMACEKPBSA-N 2 2 344.886 3.108 20 0 EGADLP O[C@H]1C[C@@H](C[NH2+]CCc2ccc(Cl)cc2)[N@@H+](Cc2ccccc2)C1 ZINC000459451675 458376063 /nfs/dbraw/zinc/37/60/63/458376063.db2.gz LNPGFKXGKSUXQD-PMACEKPBSA-N 2 2 344.886 3.108 20 0 EGADLP Cc1cc(F)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC000459514699 458396903 /nfs/dbraw/zinc/39/69/03/458396903.db2.gz UELMLUGUXREQTI-AWEZNQCLSA-N 2 2 328.859 3.378 20 0 EGADLP Cc1cc(F)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(Cl)c1 ZINC000459514699 458396905 /nfs/dbraw/zinc/39/69/05/458396905.db2.gz UELMLUGUXREQTI-AWEZNQCLSA-N 2 2 328.859 3.378 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373114570 458401622 /nfs/dbraw/zinc/40/16/22/458401622.db2.gz BATVLECZMLMTAM-AWEZNQCLSA-N 2 2 341.434 3.308 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373114570 458401623 /nfs/dbraw/zinc/40/16/23/458401623.db2.gz BATVLECZMLMTAM-AWEZNQCLSA-N 2 2 341.434 3.308 20 0 EGADLP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCn4cc(C)[nH+]c43)CC2)n1 ZINC000373120738 458402600 /nfs/dbraw/zinc/40/26/00/458402600.db2.gz HJYRQTYUSLDCKS-PCKAHOCUSA-N 2 2 343.475 3.330 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559928 458412036 /nfs/dbraw/zinc/41/20/36/458412036.db2.gz ISNCHELZCSMRJO-NHCUHLMSSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559928 458412038 /nfs/dbraw/zinc/41/20/38/458412038.db2.gz ISNCHELZCSMRJO-NHCUHLMSSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559928 458412041 /nfs/dbraw/zinc/41/20/41/458412041.db2.gz ISNCHELZCSMRJO-NHCUHLMSSA-N 2 2 348.494 3.308 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cnc(C5CC5)nc4)C[C@H]3C2)cc1 ZINC000459559928 458412047 /nfs/dbraw/zinc/41/20/47/458412047.db2.gz ISNCHELZCSMRJO-NHCUHLMSSA-N 2 2 348.494 3.308 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000437008803 458422320 /nfs/dbraw/zinc/42/23/20/458422320.db2.gz WBWOYIDSZXIORA-CJNGLKHVSA-N 2 2 329.469 3.423 20 0 EGADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491643 458442755 /nfs/dbraw/zinc/44/27/55/458442755.db2.gz KDYYOSZNYKLVMF-FZMZJTMJSA-N 2 2 345.270 3.175 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-c2ccccc2F)s1 ZINC000423518630 458450267 /nfs/dbraw/zinc/45/02/67/458450267.db2.gz OWCBWIKOHBWUKX-UONOGXRCSA-N 2 2 333.476 3.108 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1Cl ZINC000423539242 458455255 /nfs/dbraw/zinc/45/52/55/458455255.db2.gz IAEGYUGOCNIKEQ-UHFFFAOYSA-N 2 2 331.847 3.259 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1Cl ZINC000423539242 458455258 /nfs/dbraw/zinc/45/52/58/458455258.db2.gz IAEGYUGOCNIKEQ-UHFFFAOYSA-N 2 2 331.847 3.259 20 0 EGADLP Clc1ccccc1C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000423577659 458458153 /nfs/dbraw/zinc/45/81/53/458458153.db2.gz SKWBVXWNDIPMCC-NVXWUHKLSA-N 2 2 336.888 3.263 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000423579147 458458303 /nfs/dbraw/zinc/45/83/03/458458303.db2.gz VTTDREMCRPCFBU-XJKSGUPXSA-N 2 2 332.394 3.271 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430577953 458464637 /nfs/dbraw/zinc/46/46/37/458464637.db2.gz YKQLXRCDPPZFIX-QJPTWQEYSA-N 2 2 344.286 3.380 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430577953 458464642 /nfs/dbraw/zinc/46/46/42/458464642.db2.gz YKQLXRCDPPZFIX-QJPTWQEYSA-N 2 2 344.286 3.380 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430583915 458466834 /nfs/dbraw/zinc/46/68/34/458466834.db2.gz YHGDHQWXSHDQRC-HXUWFJFHSA-N 2 2 341.455 3.380 20 0 EGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000430596503 458469090 /nfs/dbraw/zinc/46/90/90/458469090.db2.gz OQQAYEZFIGRFIO-HXUWFJFHSA-N 2 2 337.552 3.443 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430632345 458472943 /nfs/dbraw/zinc/47/29/43/458472943.db2.gz XBXMEKZSUFUZKG-GOSISDBHSA-N 2 2 343.515 3.284 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000430632345 458472949 /nfs/dbraw/zinc/47/29/49/458472949.db2.gz XBXMEKZSUFUZKG-GOSISDBHSA-N 2 2 343.515 3.284 20 0 EGADLP CCCC[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377699950 458510667 /nfs/dbraw/zinc/51/06/67/458510667.db2.gz NELUMNZSGVIZOE-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP CCCC[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377699950 458510672 /nfs/dbraw/zinc/51/06/72/458510672.db2.gz NELUMNZSGVIZOE-IEBWSBKVSA-N 2 2 337.552 3.220 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])ccc2n1C1CC1 ZINC000423931624 458515315 /nfs/dbraw/zinc/51/53/15/458515315.db2.gz MLKSFZZVDQMDGN-ORAYPTAESA-N 2 2 342.487 3.169 20 0 EGADLP CCCCOc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000468395306 458515561 /nfs/dbraw/zinc/51/55/61/458515561.db2.gz YZQTWFSXEQOGND-IBGZPJMESA-N 2 2 346.515 3.410 20 0 EGADLP [NH3+]C[C@@H](NC(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CCCC1 ZINC000423965044 458523843 /nfs/dbraw/zinc/52/38/43/458523843.db2.gz QRSPEMBMQZRYDK-GOSISDBHSA-N 2 2 325.412 3.121 20 0 EGADLP COc1ccc([C@H](C[NH2+]CC[C@H]2CCOC2)[NH+]2CCCCC2)cc1 ZINC000438075228 458527647 /nfs/dbraw/zinc/52/76/47/458527647.db2.gz ARXUEYURPUHJCO-PXNSSMCTSA-N 2 2 332.488 3.238 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469021713 458550079 /nfs/dbraw/zinc/55/00/79/458550079.db2.gz NKINBPSVUZEQBY-FXAWDEMLSA-N 2 2 340.515 3.334 20 0 EGADLP C[C@@H](Cn1cccn1)[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000469021713 458550083 /nfs/dbraw/zinc/55/00/83/458550083.db2.gz NKINBPSVUZEQBY-FXAWDEMLSA-N 2 2 340.515 3.334 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760383 458594374 /nfs/dbraw/zinc/59/43/74/458594374.db2.gz ZYHBFEXQIXWIDZ-DNVCBOLYSA-N 2 2 348.491 3.236 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000373760383 458594381 /nfs/dbraw/zinc/59/43/81/458594381.db2.gz ZYHBFEXQIXWIDZ-DNVCBOLYSA-N 2 2 348.491 3.236 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469851622 458596378 /nfs/dbraw/zinc/59/63/78/458596378.db2.gz ZOOXESUMUSSOSC-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469851622 458596379 /nfs/dbraw/zinc/59/63/79/458596379.db2.gz ZOOXESUMUSSOSC-TZMCWYRMSA-N 2 2 326.868 3.307 20 0 EGADLP CC(C)c1ccc(CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000469954462 458602410 /nfs/dbraw/zinc/60/24/10/458602410.db2.gz VFZBUZMJTNOYQE-SIKLNZKXSA-N 2 2 343.559 3.310 20 0 EGADLP CC(C)c1ccc(CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000469954462 458602417 /nfs/dbraw/zinc/60/24/17/458602417.db2.gz VFZBUZMJTNOYQE-SIKLNZKXSA-N 2 2 343.559 3.310 20 0 EGADLP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369018 458649941 /nfs/dbraw/zinc/64/99/41/458649941.db2.gz HRHANHKYZIPILV-KSSFIOAISA-N 2 2 338.455 3.303 20 0 EGADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1)C1CC1 ZINC000456369018 458649947 /nfs/dbraw/zinc/64/99/47/458649947.db2.gz HRHANHKYZIPILV-KSSFIOAISA-N 2 2 338.455 3.303 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470966599 458672102 /nfs/dbraw/zinc/67/21/02/458672102.db2.gz JZEUZMQECFRFGI-LPHOPBHVSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000470966599 458672111 /nfs/dbraw/zinc/67/21/11/458672111.db2.gz JZEUZMQECFRFGI-LPHOPBHVSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000470966599 458672114 /nfs/dbraw/zinc/67/21/14/458672114.db2.gz JZEUZMQECFRFGI-LPHOPBHVSA-N 2 2 343.515 3.240 20 0 EGADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000470966599 458672120 /nfs/dbraw/zinc/67/21/20/458672120.db2.gz JZEUZMQECFRFGI-LPHOPBHVSA-N 2 2 343.515 3.240 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)CC3 ZINC000547309632 458717366 /nfs/dbraw/zinc/71/73/66/458717366.db2.gz DLIVEWHAVADYSB-HZPDHXFCSA-N 2 2 341.499 3.355 20 0 EGADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)CC3 ZINC000547309632 458717373 /nfs/dbraw/zinc/71/73/73/458717373.db2.gz DLIVEWHAVADYSB-HZPDHXFCSA-N 2 2 341.499 3.355 20 0 EGADLP C[C@H]([C@@H]1CCC[NH2+]1)[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530212190 458718528 /nfs/dbraw/zinc/71/85/28/458718528.db2.gz PROVNOFYQQRIBZ-PBHICJAKSA-N 2 2 332.492 3.122 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC([C@@H]4CCCO4)CC3)sc2C1 ZINC000439793060 458751874 /nfs/dbraw/zinc/75/18/74/458751874.db2.gz MSRUZRHUHYJUSO-KRWDZBQOSA-N 2 2 349.544 3.301 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC([C@@H]4CCCO4)CC3)sc2C1 ZINC000439793060 458751877 /nfs/dbraw/zinc/75/18/77/458751877.db2.gz MSRUZRHUHYJUSO-KRWDZBQOSA-N 2 2 349.544 3.301 20 0 EGADLP Cc1cccc(NC(=O)N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000439881669 458761521 /nfs/dbraw/zinc/76/15/21/458761521.db2.gz NZBXXTWNOHPRKQ-IBGZPJMESA-N 2 2 344.503 3.019 20 0 EGADLP Cc1cccc(NC(=O)N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000439881669 458761527 /nfs/dbraw/zinc/76/15/27/458761527.db2.gz NZBXXTWNOHPRKQ-IBGZPJMESA-N 2 2 344.503 3.019 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721847 458774982 /nfs/dbraw/zinc/77/49/82/458774982.db2.gz FPXPZZAXBQQBLG-BMFZPTHFSA-N 2 2 349.475 3.119 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nc2ccc(F)cc2s1 ZINC000432721847 458774986 /nfs/dbraw/zinc/77/49/86/458774986.db2.gz FPXPZZAXBQQBLG-BMFZPTHFSA-N 2 2 349.475 3.119 20 0 EGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495054696 458790112 /nfs/dbraw/zinc/79/01/12/458790112.db2.gz WEDYCZBVHLZSMH-HOCLYGCPSA-N 2 2 338.904 3.197 20 0 EGADLP CC(C)c1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000432876418 458805171 /nfs/dbraw/zinc/80/51/71/458805171.db2.gz BCXLIDNBTWFYNC-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP CC(C)c1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000432876418 458805179 /nfs/dbraw/zinc/80/51/79/458805179.db2.gz BCXLIDNBTWFYNC-INIZCTEOSA-N 2 2 334.508 3.058 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902404 458810238 /nfs/dbraw/zinc/81/02/38/458810238.db2.gz KUWVXPRQBOTUCJ-ZCNNSNEGSA-N 2 2 348.556 3.397 20 0 EGADLP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CS1 ZINC000432902404 458810244 /nfs/dbraw/zinc/81/02/44/458810244.db2.gz KUWVXPRQBOTUCJ-ZCNNSNEGSA-N 2 2 348.556 3.397 20 0 EGADLP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000495606774 458896134 /nfs/dbraw/zinc/89/61/34/458896134.db2.gz VTEOZSFZXSWPBD-HNNXBMFYSA-N 2 2 344.459 3.265 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329879 458919578 /nfs/dbraw/zinc/91/95/78/458919578.db2.gz YPSCWSTYXJMITA-PXNSSMCTSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000441329879 458919586 /nfs/dbraw/zinc/91/95/86/458919586.db2.gz YPSCWSTYXJMITA-PXNSSMCTSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000441329879 458919593 /nfs/dbraw/zinc/91/95/93/458919593.db2.gz YPSCWSTYXJMITA-PXNSSMCTSA-N 2 2 345.531 3.232 20 0 EGADLP CCc1ccc([C@H](C)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000441329879 458919599 /nfs/dbraw/zinc/91/95/99/458919599.db2.gz YPSCWSTYXJMITA-PXNSSMCTSA-N 2 2 345.531 3.232 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(-c3ccccn3)s1)CCC2 ZINC000531479207 458923701 /nfs/dbraw/zinc/92/37/01/458923701.db2.gz PLXFWRHFECARSS-AWEZNQCLSA-N 2 2 339.468 3.377 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441363216 458926944 /nfs/dbraw/zinc/92/69/44/458926944.db2.gz YTHRHYFFRNZVKQ-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000441363216 458926946 /nfs/dbraw/zinc/92/69/46/458926946.db2.gz YTHRHYFFRNZVKQ-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000441363216 458926952 /nfs/dbraw/zinc/92/69/52/458926952.db2.gz YTHRHYFFRNZVKQ-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000441363216 458926954 /nfs/dbraw/zinc/92/69/54/458926954.db2.gz YTHRHYFFRNZVKQ-MJGOQNOKSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Br)cc2Cl)n1C ZINC000566496316 458947896 /nfs/dbraw/zinc/94/78/96/458947896.db2.gz FPERTDBYSXGWHS-UHFFFAOYSA-N 2 2 328.641 3.434 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000495849902 458976360 /nfs/dbraw/zinc/97/63/60/458976360.db2.gz LUDPQSCYMBXNFS-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000495849902 458976366 /nfs/dbraw/zinc/97/63/66/458976366.db2.gz LUDPQSCYMBXNFS-CVEARBPZSA-N 2 2 327.513 3.144 20 0 EGADLP CCn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000577214449 458999294 /nfs/dbraw/zinc/99/92/94/458999294.db2.gz TWXYGKFCAZCTAC-IPMKNSEASA-N 2 2 340.471 3.105 20 0 EGADLP C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)n1cc[nH+]c1 ZINC000519828546 459011744 /nfs/dbraw/zinc/01/17/44/459011744.db2.gz USAFKVSORUOTFF-INIZCTEOSA-N 2 2 326.444 3.459 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442782522 459035603 /nfs/dbraw/zinc/03/56/03/459035603.db2.gz OGVASDGZTXQPSB-DYEKYZERSA-N 2 2 334.851 3.044 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442782522 459035610 /nfs/dbraw/zinc/03/56/10/459035610.db2.gz OGVASDGZTXQPSB-DYEKYZERSA-N 2 2 334.851 3.044 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC(C)(C)O[C@@H]4CCC[C@H]43)sc2C1 ZINC000442966568 459066783 /nfs/dbraw/zinc/06/67/83/459066783.db2.gz SBAIKFSTCRKIEW-HZPDHXFCSA-N 2 2 349.544 3.442 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC(C)(C)O[C@@H]4CCC[C@H]43)sc2C1 ZINC000442966568 459066785 /nfs/dbraw/zinc/06/67/85/459066785.db2.gz SBAIKFSTCRKIEW-HZPDHXFCSA-N 2 2 349.544 3.442 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)sc2C1 ZINC000442966568 459066789 /nfs/dbraw/zinc/06/67/89/459066789.db2.gz SBAIKFSTCRKIEW-HZPDHXFCSA-N 2 2 349.544 3.442 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)sc2C1 ZINC000442966568 459066792 /nfs/dbraw/zinc/06/67/92/459066792.db2.gz SBAIKFSTCRKIEW-HZPDHXFCSA-N 2 2 349.544 3.442 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198124 459104922 /nfs/dbraw/zinc/10/49/22/459104922.db2.gz QWRKTGSYGJRDKG-WMLDXEAASA-N 2 2 333.476 3.382 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc(NC(=O)OC(C)(C)C)c1 ZINC000496198124 459104930 /nfs/dbraw/zinc/10/49/30/459104930.db2.gz QWRKTGSYGJRDKG-WMLDXEAASA-N 2 2 333.476 3.382 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000520953284 459105635 /nfs/dbraw/zinc/10/56/35/459105635.db2.gz ZDXUVZHSLPAWLX-FQEVSTJZSA-N 2 2 346.515 3.454 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2OC2CCCC2)C1 ZINC000520953284 459105639 /nfs/dbraw/zinc/10/56/39/459105639.db2.gz ZDXUVZHSLPAWLX-FQEVSTJZSA-N 2 2 346.515 3.454 20 0 EGADLP c1ccc(CSCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594616514 459116123 /nfs/dbraw/zinc/11/61/23/459116123.db2.gz DSBAJELXRVQMOC-LJQANCHMSA-N 2 2 334.529 3.107 20 0 EGADLP c1ccc(CSCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000594616514 459116128 /nfs/dbraw/zinc/11/61/28/459116128.db2.gz DSBAJELXRVQMOC-LJQANCHMSA-N 2 2 334.529 3.107 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000479285680 459132082 /nfs/dbraw/zinc/13/20/82/459132082.db2.gz QCFRWDVBUHEQJX-LRDDRELGSA-N 2 2 325.294 3.310 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000521267054 459136672 /nfs/dbraw/zinc/13/66/72/459136672.db2.gz KYXLSNXDIPWSRP-UHFFFAOYSA-N 2 2 334.261 3.174 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000521267054 459136680 /nfs/dbraw/zinc/13/66/80/459136680.db2.gz KYXLSNXDIPWSRP-UHFFFAOYSA-N 2 2 334.261 3.174 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000558413036 459154604 /nfs/dbraw/zinc/15/46/04/459154604.db2.gz ZFAAUJOZSQYMQO-SJLPKXTDSA-N 2 2 332.488 3.076 20 0 EGADLP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000558413036 459154612 /nfs/dbraw/zinc/15/46/12/459154612.db2.gz ZFAAUJOZSQYMQO-SJLPKXTDSA-N 2 2 332.488 3.076 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c[nH+]1 ZINC000578438163 459201621 /nfs/dbraw/zinc/20/16/21/459201621.db2.gz ZQSSUTWNIMEDNE-DLBZAZTESA-N 2 2 344.503 3.151 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c[nH+]1 ZINC000578438163 459201627 /nfs/dbraw/zinc/20/16/27/459201627.db2.gz ZQSSUTWNIMEDNE-DLBZAZTESA-N 2 2 344.503 3.151 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993176 459203801 /nfs/dbraw/zinc/20/38/01/459203801.db2.gz HMUBCDGIRDWEBV-RVKKMQEKSA-N 2 2 346.500 3.095 20 0 EGADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)n1cc[nH+]c1 ZINC000567993176 459203807 /nfs/dbraw/zinc/20/38/07/459203807.db2.gz HMUBCDGIRDWEBV-RVKKMQEKSA-N 2 2 346.500 3.095 20 0 EGADLP O=C1[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000533431984 459233999 /nfs/dbraw/zinc/23/39/99/459233999.db2.gz UIYSRYHTEYLXSW-UYAOXDASSA-N 2 2 341.499 3.132 20 0 EGADLP O=C1[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1c1ccccc1 ZINC000533431984 459234001 /nfs/dbraw/zinc/23/40/01/459234001.db2.gz UIYSRYHTEYLXSW-UYAOXDASSA-N 2 2 341.499 3.132 20 0 EGADLP CSCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595068679 459234895 /nfs/dbraw/zinc/23/48/95/459234895.db2.gz JUDBDCFXLSXCCS-AEFFLSMTSA-N 2 2 333.545 3.415 20 0 EGADLP CSCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000595068679 459234903 /nfs/dbraw/zinc/23/49/03/459234903.db2.gz JUDBDCFXLSXCCS-AEFFLSMTSA-N 2 2 333.545 3.415 20 0 EGADLP CC[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000481313559 459244832 /nfs/dbraw/zinc/24/48/32/459244832.db2.gz OAAQESBZGJYALZ-NRFANRHFSA-N 2 2 329.532 3.363 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1C ZINC000568269775 459261432 /nfs/dbraw/zinc/26/14/32/459261432.db2.gz XHTKQISHTXRMHT-QFBILLFUSA-N 3 2 326.488 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1C ZINC000568269775 459261438 /nfs/dbraw/zinc/26/14/38/459261438.db2.gz XHTKQISHTXRMHT-QFBILLFUSA-N 3 2 326.488 3.119 20 0 EGADLP C[NH+](C)CCO[C@@H]1CCN(c2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)C1 ZINC000533783692 459268594 /nfs/dbraw/zinc/26/85/94/459268594.db2.gz WVGOXSNYHPHBKD-OAHLLOKOSA-N 2 2 348.535 3.229 20 0 EGADLP c1csc([C@@H](C[NH2+][C@@H]2COc3ccccc3C2)[NH+]2CCCC2)c1 ZINC000559721828 459274486 /nfs/dbraw/zinc/27/44/86/459274486.db2.gz JCLXLLRRPJERFR-DLBZAZTESA-N 2 2 328.481 3.478 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c[nH+]1 ZINC000496664176 459278112 /nfs/dbraw/zinc/27/81/12/459278112.db2.gz YVZWKRMHZMNESP-SFHVURJKSA-N 2 2 331.460 3.066 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c[nH+]1 ZINC000496664176 459278117 /nfs/dbraw/zinc/27/81/17/459278117.db2.gz YVZWKRMHZMNESP-SFHVURJKSA-N 2 2 331.460 3.066 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+](CC3CC3)CC3CC3)C2)cc1 ZINC000560162395 459307814 /nfs/dbraw/zinc/30/78/14/459307814.db2.gz RAMZUGGTOCRVPF-OAQYLSRUSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+](CC3CC3)CC3CC3)C2)cc1 ZINC000560162395 459307819 /nfs/dbraw/zinc/30/78/19/459307819.db2.gz RAMZUGGTOCRVPF-OAQYLSRUSA-N 2 2 328.500 3.400 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659330 459324769 /nfs/dbraw/zinc/32/47/69/459324769.db2.gz MOHFQFFVKRJBOP-OLMNPRSZSA-N 2 2 349.494 3.231 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000568659330 459324773 /nfs/dbraw/zinc/32/47/73/459324773.db2.gz MOHFQFFVKRJBOP-OLMNPRSZSA-N 2 2 349.494 3.231 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000534580724 459335766 /nfs/dbraw/zinc/33/57/66/459335766.db2.gz OEDODPOIZVJMTO-QGZVFWFLSA-N 2 2 348.450 3.391 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000534580724 459335773 /nfs/dbraw/zinc/33/57/73/459335773.db2.gz OEDODPOIZVJMTO-QGZVFWFLSA-N 2 2 348.450 3.391 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)c(C)c1OC ZINC000560514402 459363927 /nfs/dbraw/zinc/36/39/27/459363927.db2.gz LQSKTQYMLXYXTO-INIZCTEOSA-N 2 2 334.504 3.265 20 0 EGADLP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000568901181 459364452 /nfs/dbraw/zinc/36/44/52/459364452.db2.gz OMVSQQKAAUBDKL-BZUAXINKSA-N 2 2 329.410 3.168 20 0 EGADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000569085001 459391628 /nfs/dbraw/zinc/39/16/28/459391628.db2.gz PTTPJCWPIGMPAN-MRXNPFEDSA-N 2 2 341.459 3.145 20 0 EGADLP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)CC2 ZINC000569131266 459402792 /nfs/dbraw/zinc/40/27/92/459402792.db2.gz XHQGNEKIAOAXAF-ZDUSSCGKSA-N 2 2 346.862 3.108 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C[C@H](C)C[C@H](C)C3)c2cc1C ZINC000560903728 459405040 /nfs/dbraw/zinc/40/50/40/459405040.db2.gz NCBODFXWVQXXFT-IDCJVQTKSA-N 2 2 329.488 3.428 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000560936547 459406647 /nfs/dbraw/zinc/40/66/47/459406647.db2.gz HDLYCNZICKQFHN-OAHLLOKOSA-N 2 2 332.492 3.040 20 0 EGADLP CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000560936547 459406650 /nfs/dbraw/zinc/40/66/50/459406650.db2.gz HDLYCNZICKQFHN-OAHLLOKOSA-N 2 2 332.492 3.040 20 0 EGADLP Cn1cnc2cc(C[NH2+][C@@]3(C)CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000582671048 459406854 /nfs/dbraw/zinc/40/68/54/459406854.db2.gz SYCPYVMTCWGKLS-NRFANRHFSA-N 2 2 334.467 3.328 20 0 EGADLP Cn1cnc2cc(C[NH2+][C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000582671048 459406858 /nfs/dbraw/zinc/40/68/58/459406858.db2.gz SYCPYVMTCWGKLS-NRFANRHFSA-N 2 2 334.467 3.328 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000484514898 459416891 /nfs/dbraw/zinc/41/68/91/459416891.db2.gz XTNLUQZUNVMYOS-MQIPJXDCSA-N 2 2 338.879 3.491 20 0 EGADLP COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000484514898 459416895 /nfs/dbraw/zinc/41/68/95/459416895.db2.gz XTNLUQZUNVMYOS-MQIPJXDCSA-N 2 2 338.879 3.491 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867037 459457926 /nfs/dbraw/zinc/45/79/26/459457926.db2.gz MHAFQBNTCFXMOR-RDJZCZTQSA-N 2 2 326.444 3.110 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867037 459457929 /nfs/dbraw/zinc/45/79/29/459457929.db2.gz MHAFQBNTCFXMOR-RDJZCZTQSA-N 2 2 326.444 3.110 20 0 EGADLP C[C@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000497147285 459458961 /nfs/dbraw/zinc/45/89/61/459458961.db2.gz MRJSCYKVDWNBLN-HOTGVXAUSA-N 2 2 348.491 3.071 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000583117651 459484716 /nfs/dbraw/zinc/48/47/16/459484716.db2.gz GWGMBBDAFZRAEV-JXFKEZNVSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@H+]1Cc1ccccc1 ZINC000583117651 459484719 /nfs/dbraw/zinc/48/47/19/459484719.db2.gz GWGMBBDAFZRAEV-JXFKEZNVSA-N 2 2 334.467 3.326 20 0 EGADLP CCC[NH+]1CCC(Nc2cc(COC)[nH+]c3ccc(F)cc23)CC1 ZINC000569656717 459486588 /nfs/dbraw/zinc/48/65/88/459486588.db2.gz PGQDQMUGHYHKIP-UHFFFAOYSA-N 2 2 331.435 3.229 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742049 459487305 /nfs/dbraw/zinc/48/73/05/459487305.db2.gz PTPXVRGWKMOHAQ-DOTOQJQBSA-N 2 2 332.517 3.435 20 0 EGADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccn(C)n1 ZINC000541742049 459487310 /nfs/dbraw/zinc/48/73/10/459487310.db2.gz PTPXVRGWKMOHAQ-DOTOQJQBSA-N 2 2 332.517 3.435 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000569686019 459493863 /nfs/dbraw/zinc/49/38/63/459493863.db2.gz DIDQFLHEJLWVMZ-IBGZPJMESA-N 2 2 336.435 3.115 20 0 EGADLP c1cc(N[C@H]2CC[C@H]2C2CC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000562080859 459509790 /nfs/dbraw/zinc/50/97/90/459509790.db2.gz PJHVMRLVKLAMRY-IRXDYDNUSA-N 2 2 340.471 3.038 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000526118924 459552134 /nfs/dbraw/zinc/55/21/34/459552134.db2.gz VDBHAIHQRCYUOU-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP CN(C(=O)C1=CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000526118924 459552136 /nfs/dbraw/zinc/55/21/36/459552136.db2.gz VDBHAIHQRCYUOU-WOJBJXKFSA-N 2 2 347.547 3.282 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592487924 459611706 /nfs/dbraw/zinc/61/17/06/459611706.db2.gz CSPCPWZTNINADQ-DOMZBBRYSA-N 2 2 332.469 3.247 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2c3ccccc3sc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592487924 459611712 /nfs/dbraw/zinc/61/17/12/459611712.db2.gz CSPCPWZTNINADQ-DOMZBBRYSA-N 2 2 332.469 3.247 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCc4ccccc4C3)c2cc1C ZINC000498924590 459612835 /nfs/dbraw/zinc/61/28/35/459612835.db2.gz VQLREBITDLYXAE-HXUWFJFHSA-N 2 2 349.478 3.462 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCc4ccccc4C3)c2cc1C ZINC000498924590 459612839 /nfs/dbraw/zinc/61/28/39/459612839.db2.gz VQLREBITDLYXAE-HXUWFJFHSA-N 2 2 349.478 3.462 20 0 EGADLP C[C@H](C[NH2+][C@H](C)C1(c2ccccc2)CCCC1)C[NH+]1CCOCC1 ZINC000573283694 459652902 /nfs/dbraw/zinc/65/29/02/459652902.db2.gz YVKXDNVLRXNHAH-RTBURBONSA-N 2 2 330.516 3.445 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C)C(C)(C)C3)c2cc1C ZINC000544782997 459783994 /nfs/dbraw/zinc/78/39/94/459783994.db2.gz ZVZNTJBUJCOLHV-IAGOWNOFSA-N 2 2 329.488 3.382 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C)C(C)(C)C3)c2cc1C ZINC000544782997 459784000 /nfs/dbraw/zinc/78/40/00/459784000.db2.gz ZVZNTJBUJCOLHV-IAGOWNOFSA-N 2 2 329.488 3.382 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000566084238 459802842 /nfs/dbraw/zinc/80/28/42/459802842.db2.gz HJQLCSIIZWMCMT-RBUKOAKNSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000566084238 459802847 /nfs/dbraw/zinc/80/28/47/459802847.db2.gz HJQLCSIIZWMCMT-RBUKOAKNSA-N 2 2 349.563 3.221 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1Cl ZINC000545160762 459804788 /nfs/dbraw/zinc/80/47/88/459804788.db2.gz BAJAGXKTGYGNLD-YMTOWFKASA-N 2 2 337.678 3.364 20 0 EGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410189 459815895 /nfs/dbraw/zinc/81/58/95/459815895.db2.gz BKYKEOUSYCNVCY-RHSMWYFYSA-N 2 2 347.528 3.390 20 0 EGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000574410189 459815898 /nfs/dbraw/zinc/81/58/98/459815898.db2.gz BKYKEOUSYCNVCY-RHSMWYFYSA-N 2 2 347.528 3.390 20 0 EGADLP Cc1[nH+]c2cc(NCc3c[nH+]c4cccc(C)n34)ccc2n1[C@@H](C)CO ZINC000574668577 459852098 /nfs/dbraw/zinc/85/20/98/459852098.db2.gz UBIJTPAYFNESCV-AWEZNQCLSA-N 2 2 349.438 3.466 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(C4CC4)CCC3)c2cc1C ZINC000575116684 459930098 /nfs/dbraw/zinc/93/00/98/459930098.db2.gz JDVCRTFMIJAAJW-QGZVFWFLSA-N 2 2 327.472 3.184 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000588690624 459971511 /nfs/dbraw/zinc/97/15/11/459971511.db2.gz GTGGFXTZNOSMBX-OXJNMPFZSA-N 2 2 344.886 3.410 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000588690624 459971513 /nfs/dbraw/zinc/97/15/13/459971513.db2.gz GTGGFXTZNOSMBX-OXJNMPFZSA-N 2 2 344.886 3.410 20 0 EGADLP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000576031336 460056364 /nfs/dbraw/zinc/05/63/64/460056364.db2.gz NXSCUMKRRMKAFA-UZLBHIALSA-N 2 2 325.456 3.296 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779420 460061041 /nfs/dbraw/zinc/06/10/41/460061041.db2.gz FBMZICYOZIOTKG-NQIIRXRSSA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779420 460061048 /nfs/dbraw/zinc/06/10/48/460061048.db2.gz FBMZICYOZIOTKG-NQIIRXRSSA-N 2 2 335.451 3.252 20 0 EGADLP CCOC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C)CC3)o2)cc1 ZINC000614238694 460062251 /nfs/dbraw/zinc/06/22/51/460062251.db2.gz KPCSONUGTNRVQZ-UHFFFAOYSA-N 2 2 342.439 3.307 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005129 460157637 /nfs/dbraw/zinc/15/76/37/460157637.db2.gz YUCMVGOFWFQJGL-IFXJQAMLSA-N 2 2 346.425 3.081 20 0 EGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622005129 460157646 /nfs/dbraw/zinc/15/76/46/460157646.db2.gz YUCMVGOFWFQJGL-IFXJQAMLSA-N 2 2 346.425 3.081 20 0 EGADLP CC1(C)CC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000576655323 460188444 /nfs/dbraw/zinc/18/84/44/460188444.db2.gz XAZWEIIEEYSGAR-UHFFFAOYSA-N 2 2 328.460 3.038 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798891 460268059 /nfs/dbraw/zinc/26/80/59/460268059.db2.gz HPXXKNDJBPISLK-LAUBAEHRSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798891 460268062 /nfs/dbraw/zinc/26/80/62/460268062.db2.gz HPXXKNDJBPISLK-LAUBAEHRSA-N 2 2 342.483 3.361 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625798891 460268066 /nfs/dbraw/zinc/26/80/66/460268066.db2.gz HPXXKNDJBPISLK-LAUBAEHRSA-N 2 2 342.483 3.361 20 0 EGADLP CC1([NH+]2CCOCC2)CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000625960605 460316772 /nfs/dbraw/zinc/31/67/72/460316772.db2.gz QIAXIPVQNIJAPZ-UHFFFAOYSA-N 2 2 345.512 3.026 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@@H+]1C1CC1 ZINC000611438968 460365732 /nfs/dbraw/zinc/36/57/32/460365732.db2.gz BHDJEYNFKYBXCF-PBHICJAKSA-N 2 2 330.472 3.357 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[N@H+]1C1CC1 ZINC000611438968 460365734 /nfs/dbraw/zinc/36/57/34/460365734.db2.gz BHDJEYNFKYBXCF-PBHICJAKSA-N 2 2 330.472 3.357 20 0 EGADLP Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1Oc1cc[nH+]cc1 ZINC000604326929 460407912 /nfs/dbraw/zinc/40/79/12/460407912.db2.gz YYICGUMLHYMGNU-INIZCTEOSA-N 2 2 339.439 3.396 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)c2ccccc21 ZINC000619822259 460451348 /nfs/dbraw/zinc/45/13/48/460451348.db2.gz MWJGUYHIOGVJNF-NSISKUIASA-N 2 2 342.483 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)c2ccccc21 ZINC000619822259 460451352 /nfs/dbraw/zinc/45/13/52/460451352.db2.gz MWJGUYHIOGVJNF-NSISKUIASA-N 2 2 342.483 3.242 20 0 EGADLP C[C@H](C[NH2+][C@H](C)CCc1c[nH]c2ccccc12)C[NH+]1CCOCC1 ZINC000631583643 460457229 /nfs/dbraw/zinc/45/72/29/460457229.db2.gz ZVBJOPJSLYDKNY-IAGOWNOFSA-N 2 2 329.488 3.047 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000631662838 460497808 /nfs/dbraw/zinc/49/78/08/460497808.db2.gz GACGQAOUAITECK-ZIFCJYIRSA-N 2 2 338.499 3.248 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000631662838 460497815 /nfs/dbraw/zinc/49/78/15/460497815.db2.gz GACGQAOUAITECK-ZIFCJYIRSA-N 2 2 338.499 3.248 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623340516 460498308 /nfs/dbraw/zinc/49/83/08/460498308.db2.gz LNMHVHAVDJDVFL-ZDUSSCGKSA-N 2 2 336.423 3.213 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623340516 460498315 /nfs/dbraw/zinc/49/83/15/460498315.db2.gz LNMHVHAVDJDVFL-ZDUSSCGKSA-N 2 2 336.423 3.213 20 0 EGADLP CCc1cc(N2CCC[C@@H](C)[C@H]2CCC[NH3+])nc(-c2ccncc2)[nH+]1 ZINC000634811317 460531566 /nfs/dbraw/zinc/53/15/66/460531566.db2.gz ATPRBRVPPXDWOZ-CRAIPNDOSA-N 2 2 339.487 3.445 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4scnc43)[nH+]c2)C1 ZINC000623943584 460789293 /nfs/dbraw/zinc/78/92/93/460789293.db2.gz BKYYCVYSDQWMAP-HUUCEWRRSA-N 2 2 343.500 3.168 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534520 460798603 /nfs/dbraw/zinc/79/86/03/460798603.db2.gz ADDXXMALTIWEIA-UKRRQHHQSA-N 2 2 339.886 3.174 20 0 EGADLP C[C@@H]1CC[C@@H](NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534520 460798608 /nfs/dbraw/zinc/79/86/08/460798608.db2.gz ADDXXMALTIWEIA-UKRRQHHQSA-N 2 2 339.886 3.174 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566551 460812984 /nfs/dbraw/zinc/81/29/84/460812984.db2.gz ZQTXCAURVAEBEV-GJZGRUSLSA-N 2 2 330.394 3.433 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566551 460812990 /nfs/dbraw/zinc/81/29/90/460812990.db2.gz ZQTXCAURVAEBEV-GJZGRUSLSA-N 2 2 330.394 3.433 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000617342995 460819570 /nfs/dbraw/zinc/81/95/70/460819570.db2.gz JPIQIESESZXLON-OAHLLOKOSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000617342995 460819574 /nfs/dbraw/zinc/81/95/74/460819574.db2.gz JPIQIESESZXLON-OAHLLOKOSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000617348894 460824387 /nfs/dbraw/zinc/82/43/87/460824387.db2.gz IGZXYCMHINMEAA-MRXNPFEDSA-N 2 2 339.439 3.477 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000617348894 460824394 /nfs/dbraw/zinc/82/43/94/460824394.db2.gz IGZXYCMHINMEAA-MRXNPFEDSA-N 2 2 339.439 3.477 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(C)sc1C ZINC000624086815 460853080 /nfs/dbraw/zinc/85/30/80/460853080.db2.gz XIXLCBOJYDROHL-SJORKVTESA-N 2 2 337.533 3.136 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(C)sc1C ZINC000624086815 460853083 /nfs/dbraw/zinc/85/30/83/460853083.db2.gz XIXLCBOJYDROHL-SJORKVTESA-N 2 2 337.533 3.136 20 0 EGADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624823 460860315 /nfs/dbraw/zinc/86/03/15/460860315.db2.gz NSUDCEQNBLCBHU-BEFAXECRSA-N 2 2 338.455 3.066 20 0 EGADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000635624823 460860321 /nfs/dbraw/zinc/86/03/21/460860321.db2.gz NSUDCEQNBLCBHU-BEFAXECRSA-N 2 2 338.455 3.066 20 0 EGADLP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676441 460862558 /nfs/dbraw/zinc/86/25/58/460862558.db2.gz UOWRADCPHDFRFU-DOMZBBRYSA-N 2 2 334.851 3.211 20 0 EGADLP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)n1 ZINC000629676441 460862560 /nfs/dbraw/zinc/86/25/60/460862560.db2.gz UOWRADCPHDFRFU-DOMZBBRYSA-N 2 2 334.851 3.211 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCC2)nc1 ZINC000624105243 460863280 /nfs/dbraw/zinc/86/32/80/460863280.db2.gz HQVLSVZPKODPJB-ICSRJNTNSA-N 2 2 329.488 3.156 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000613210218 460866798 /nfs/dbraw/zinc/86/67/98/460866798.db2.gz OOTRBWZOWRGAGA-SBHAEUEKSA-N 2 2 349.478 3.134 20 0 EGADLP c1nc2c([nH]1)[C@@H](c1ccc(-c3ccc(N4CCCC4)[nH+]c3)cc1)[NH2+]CC2 ZINC000629710903 460882257 /nfs/dbraw/zinc/88/22/57/460882257.db2.gz YDJWRYKPPWVALT-HXUWFJFHSA-N 2 2 345.450 3.307 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624333769 460964692 /nfs/dbraw/zinc/96/46/92/460964692.db2.gz WSGVBEPBQNBBCV-RDJZCZTQSA-N 2 2 334.529 3.439 20 0 EGADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(SC2CCCC2)cc1 ZINC000624333769 460964699 /nfs/dbraw/zinc/96/46/99/460964699.db2.gz WSGVBEPBQNBBCV-RDJZCZTQSA-N 2 2 334.529 3.439 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc2n1C ZINC000608248521 461017587 /nfs/dbraw/zinc/01/75/87/461017587.db2.gz RLVAUUPOJFWSRD-UHFFFAOYSA-N 2 2 345.406 3.379 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190340 461042014 /nfs/dbraw/zinc/04/20/14/461042014.db2.gz CMTKMCSMBRUSKP-RDTXWAMCSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc(F)c1F ZINC000628190340 461042018 /nfs/dbraw/zinc/04/20/18/461042018.db2.gz CMTKMCSMBRUSKP-RDTXWAMCSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190340 461042024 /nfs/dbraw/zinc/04/20/24/461042024.db2.gz CMTKMCSMBRUSKP-RDTXWAMCSA-N 2 2 349.469 3.480 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc(F)c1F ZINC000628190340 461042028 /nfs/dbraw/zinc/04/20/28/461042028.db2.gz CMTKMCSMBRUSKP-RDTXWAMCSA-N 2 2 349.469 3.480 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCCc2c1ccc(=O)n2C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000652332569 461134651 /nfs/dbraw/zinc/13/46/51/461134651.db2.gz KQWPWWUBLUVATK-HNAYVOBHSA-N 2 2 348.450 3.299 20 0 EGADLP Cc1cn2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[nH+]1 ZINC000668149815 461136219 /nfs/dbraw/zinc/13/62/19/461136219.db2.gz BRQYKRBXRCQPCM-UHFFFAOYSA-N 2 2 329.448 3.073 20 0 EGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1CC[NH3+] ZINC000652353429 461147414 /nfs/dbraw/zinc/14/74/14/461147414.db2.gz IXHDMOJGHYFIOI-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1CC[NH3+] ZINC000652353429 461147420 /nfs/dbraw/zinc/14/74/20/461147420.db2.gz IXHDMOJGHYFIOI-DOMZBBRYSA-N 2 2 343.393 3.093 20 0 EGADLP Cc1nnc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000662258187 461148101 /nfs/dbraw/zinc/14/81/01/461148101.db2.gz XSNGYQQYOFHBQX-UHFFFAOYSA-N 2 2 330.501 3.464 20 0 EGADLP Cc1nnc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000662258187 461148106 /nfs/dbraw/zinc/14/81/06/461148106.db2.gz XSNGYQQYOFHBQX-UHFFFAOYSA-N 2 2 330.501 3.464 20 0 EGADLP FC(F)(F)c1csc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662292680 461170308 /nfs/dbraw/zinc/17/03/08/461170308.db2.gz HLLWFGYXGJIORK-LBPRGKRZSA-N 2 2 333.423 3.374 20 0 EGADLP Brc1scnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662295557 461176561 /nfs/dbraw/zinc/17/65/61/461176561.db2.gz VAYBKXPMJWAPOS-GFCCVEGCSA-N 2 2 344.322 3.117 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000649680888 461270008 /nfs/dbraw/zinc/27/00/08/461270008.db2.gz BNXYUMNTZQNJJS-KSZLIROESA-N 2 2 326.488 3.175 20 0 EGADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000649680888 461270016 /nfs/dbraw/zinc/27/00/16/461270016.db2.gz BNXYUMNTZQNJJS-KSZLIROESA-N 2 2 326.488 3.175 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC(C)(C)CC(C)(C)C3)C2)CC1 ZINC000668639440 461367640 /nfs/dbraw/zinc/36/76/40/461367640.db2.gz ICMFOMUBXMXCSP-QGZVFWFLSA-N 2 2 349.563 3.124 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CC(C)(C)CC(C)(C)C3)C2)CC1 ZINC000668639440 461367648 /nfs/dbraw/zinc/36/76/48/461367648.db2.gz ICMFOMUBXMXCSP-QGZVFWFLSA-N 2 2 349.563 3.124 20 0 EGADLP CC(C)COc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698039 461370084 /nfs/dbraw/zinc/37/00/84/461370084.db2.gz UYHUKJOHLPVUDB-IBGZPJMESA-N 2 2 332.488 3.064 20 0 EGADLP CC(C)([NH3+])CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000641817693 461387687 /nfs/dbraw/zinc/38/76/87/461387687.db2.gz YBWOJRGYKLLPOD-UHFFFAOYSA-N 2 2 341.459 3.135 20 0 EGADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000655719418 461388697 /nfs/dbraw/zinc/38/86/97/461388697.db2.gz SVIMDZMUZFSTSD-AWEZNQCLSA-N 2 2 343.862 3.457 20 0 EGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655721389 461390559 /nfs/dbraw/zinc/39/05/59/461390559.db2.gz OMJYRYDVTJIJBL-PTSWNOGYSA-N 2 2 332.463 3.292 20 0 EGADLP CCCCc1ccc([C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C)cc1 ZINC000653061292 461481353 /nfs/dbraw/zinc/48/13/53/461481353.db2.gz JWDNFQZZIYZASR-MOPGFXCFSA-N 2 2 333.520 3.122 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000653084859 461493348 /nfs/dbraw/zinc/49/33/48/461493348.db2.gz VBWNGNDTIQYFKA-HXUWFJFHSA-N 2 2 339.483 3.079 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c1OCCO2 ZINC000655857520 461507069 /nfs/dbraw/zinc/50/70/69/461507069.db2.gz VLHSOUGOMFBIHR-JKSUJKDBSA-N 2 2 336.863 3.218 20 0 EGADLP Clc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc2c1OCCO2 ZINC000655857520 461507076 /nfs/dbraw/zinc/50/70/76/461507076.db2.gz VLHSOUGOMFBIHR-JKSUJKDBSA-N 2 2 336.863 3.218 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000631054390 461507379 /nfs/dbraw/zinc/50/73/79/461507379.db2.gz OBLZMVNEJJLECW-UHFFFAOYSA-N 2 2 338.879 3.464 20 0 EGADLP Cn1c2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2[nH+]c1C(C)(C)C ZINC000653153169 461526274 /nfs/dbraw/zinc/52/62/74/461526274.db2.gz KKIJBSQCTSHPGC-ZDUSSCGKSA-N 2 2 328.460 3.199 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CCCC1 ZINC000638788470 461578284 /nfs/dbraw/zinc/57/82/84/461578284.db2.gz KRWDWPOFKLOBCR-JXFKEZNVSA-N 2 2 331.504 3.402 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cn21 ZINC000647262623 461596667 /nfs/dbraw/zinc/59/66/67/461596667.db2.gz HHDQONSUKPBPRK-UTKZUKDTSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)cn21 ZINC000647262623 461596676 /nfs/dbraw/zinc/59/66/76/461596676.db2.gz HHDQONSUKPBPRK-UTKZUKDTSA-N 2 2 348.494 3.295 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cn21 ZINC000647262717 461599224 /nfs/dbraw/zinc/59/92/24/461599224.db2.gz LWPWTTMHKXQWCJ-RXVVDRJESA-N 2 2 348.494 3.438 20 0 EGADLP Cc1cccc2nc(CC[NH2+][C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cn21 ZINC000647262717 461599236 /nfs/dbraw/zinc/59/92/36/461599236.db2.gz LWPWTTMHKXQWCJ-RXVVDRJESA-N 2 2 348.494 3.438 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000647305310 461625419 /nfs/dbraw/zinc/62/54/19/461625419.db2.gz FIJGUENHQAHRAQ-ICSRJNTNSA-N 2 2 334.504 3.219 20 0 EGADLP COc1ccc([C@H](CC(C)C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000647305310 461625427 /nfs/dbraw/zinc/62/54/27/461625427.db2.gz FIJGUENHQAHRAQ-ICSRJNTNSA-N 2 2 334.504 3.219 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000663510045 461680094 /nfs/dbraw/zinc/68/00/94/461680094.db2.gz OEHJKTSBBRPQJI-QGZVFWFLSA-N 2 2 334.467 3.296 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000663511539 461680925 /nfs/dbraw/zinc/68/09/25/461680925.db2.gz WXFMTHWDHRIFEJ-CQSZACIVSA-N 2 2 326.469 3.298 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000656262191 461686394 /nfs/dbraw/zinc/68/63/94/461686394.db2.gz QBQFTVKXUZUGBO-HNNXBMFYSA-N 2 2 339.418 3.043 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000656262191 461686401 /nfs/dbraw/zinc/68/64/01/461686401.db2.gz QBQFTVKXUZUGBO-HNNXBMFYSA-N 2 2 339.418 3.043 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000656260786 461686461 /nfs/dbraw/zinc/68/64/61/461686461.db2.gz WLXBZVOBVRDOIE-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000656260786 461686466 /nfs/dbraw/zinc/68/64/66/461686466.db2.gz WLXBZVOBVRDOIE-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000656260786 461686469 /nfs/dbraw/zinc/68/64/69/461686469.db2.gz WLXBZVOBVRDOIE-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000656260786 461686476 /nfs/dbraw/zinc/68/64/76/461686476.db2.gz WLXBZVOBVRDOIE-OAQYLSRUSA-N 2 2 338.499 3.407 20 0 EGADLP Cc1noc([C@H](C)[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000656276614 461700516 /nfs/dbraw/zinc/70/05/16/461700516.db2.gz YLGXZGJHBIYXJC-HNNXBMFYSA-N 2 2 344.459 3.046 20 0 EGADLP Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000656276614 461700529 /nfs/dbraw/zinc/70/05/29/461700529.db2.gz YLGXZGJHBIYXJC-HNNXBMFYSA-N 2 2 344.459 3.046 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1O ZINC000656277380 461700989 /nfs/dbraw/zinc/70/09/89/461700989.db2.gz MJMYCBXMCAZMQW-CGTJXYLNSA-N 2 2 332.488 3.328 20 0 EGADLP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1O ZINC000656277380 461700991 /nfs/dbraw/zinc/70/09/91/461700991.db2.gz MJMYCBXMCAZMQW-CGTJXYLNSA-N 2 2 332.488 3.328 20 0 EGADLP Cc1ncc([C@H](C)[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(C)n1 ZINC000639109448 461732478 /nfs/dbraw/zinc/73/24/78/461732478.db2.gz AMQZEEKTYCIMLQ-HNNXBMFYSA-N 2 2 326.444 3.401 20 0 EGADLP Cc1cccn2c(CN(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)c[nH+]c12 ZINC000647493815 461734196 /nfs/dbraw/zinc/73/41/96/461734196.db2.gz UFSVHOYNJNFYGP-LJQANCHMSA-N 2 2 334.467 3.397 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2nc(C)cs2)[C@H]2CCC[NH2+]2)cc1 ZINC000643460697 461735218 /nfs/dbraw/zinc/73/52/18/461735218.db2.gz GPPUHMPLHGRZFS-AEFFLSMTSA-N 2 2 331.485 3.086 20 0 EGADLP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(N2CCCC2)n1 ZINC000643471336 461738887 /nfs/dbraw/zinc/73/88/87/461738887.db2.gz UZJDKPZCXRHNBC-FXAWDEMLSA-N 2 2 338.499 3.038 20 0 EGADLP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000643472479 461740314 /nfs/dbraw/zinc/74/03/14/461740314.db2.gz FHVAWKXNIDGDPW-IEBWSBKVSA-N 2 2 325.456 3.290 20 0 EGADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506872 461740465 /nfs/dbraw/zinc/74/04/65/461740465.db2.gz DTDQUHCVOSHFBT-CZUORRHYSA-N 2 2 330.394 3.076 20 0 EGADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506872 461740474 /nfs/dbraw/zinc/74/04/74/461740474.db2.gz DTDQUHCVOSHFBT-CZUORRHYSA-N 2 2 330.394 3.076 20 0 EGADLP CCC1(O)CCC([NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000643474193 461741772 /nfs/dbraw/zinc/74/17/72/461741772.db2.gz NBEXPALQOPMMAY-CGIJZDBUSA-N 2 2 332.488 3.162 20 0 EGADLP Cc1cc(CO)cc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000663667588 461744382 /nfs/dbraw/zinc/74/43/82/461744382.db2.gz GQOOJYFYLLSSLR-HNNXBMFYSA-N 2 2 345.874 3.419 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653592322 461745957 /nfs/dbraw/zinc/74/59/57/461745957.db2.gz UPKSGSAGNZCCNR-VXGBXAGGSA-N 2 2 329.429 3.082 20 0 EGADLP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653592322 461745965 /nfs/dbraw/zinc/74/59/65/461745965.db2.gz UPKSGSAGNZCCNR-VXGBXAGGSA-N 2 2 329.429 3.082 20 0 EGADLP COc1ccc(C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccc(OC)cc2)cc1 ZINC000643506948 461749426 /nfs/dbraw/zinc/74/94/26/461749426.db2.gz NNFIQPXPRWDNDB-NRFANRHFSA-N 2 2 340.467 3.329 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000660393967 461750707 /nfs/dbraw/zinc/75/07/07/461750707.db2.gz WNTYOJBNEDTOPO-AWEZNQCLSA-N 2 2 348.409 3.111 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000660393967 461750712 /nfs/dbraw/zinc/75/07/12/461750712.db2.gz WNTYOJBNEDTOPO-AWEZNQCLSA-N 2 2 348.409 3.111 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647533776 461750721 /nfs/dbraw/zinc/75/07/21/461750721.db2.gz XVKNAGMHFCATIY-PXNSSMCTSA-N 2 2 332.451 3.209 20 0 EGADLP c1nc2ccccc2n1-c1ccc(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000647533776 461750726 /nfs/dbraw/zinc/75/07/26/461750726.db2.gz XVKNAGMHFCATIY-PXNSSMCTSA-N 2 2 332.451 3.209 20 0 EGADLP Brc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]2CCCO2)cc1 ZINC000643523534 461753089 /nfs/dbraw/zinc/75/30/89/461753089.db2.gz UDNXWNMXQYNPCE-OWCLPIDISA-N 2 2 339.277 3.011 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(C)cc1 ZINC000643546783 461758141 /nfs/dbraw/zinc/75/81/41/461758141.db2.gz UUZSXJDUTDALJL-RDJZCZTQSA-N 2 2 339.487 3.209 20 0 EGADLP Cn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1 ZINC000643547560 461758389 /nfs/dbraw/zinc/75/83/89/461758389.db2.gz HAXXKDIGYOXYJT-DLBZAZTESA-N 2 2 344.890 3.427 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)nnn1-c1ccc(C)cc1 ZINC000643546782 461759541 /nfs/dbraw/zinc/75/95/41/461759541.db2.gz UUZSXJDUTDALJL-NVXWUHKLSA-N 2 2 339.487 3.209 20 0 EGADLP COc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000669713596 461776101 /nfs/dbraw/zinc/77/61/01/461776101.db2.gz FCPWYYUWDYLFBE-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000669713596 461776104 /nfs/dbraw/zinc/77/61/04/461776104.db2.gz FCPWYYUWDYLFBE-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000669713596 461776107 /nfs/dbraw/zinc/77/61/07/461776107.db2.gz FCPWYYUWDYLFBE-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP COc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1F ZINC000669713596 461776110 /nfs/dbraw/zinc/77/61/10/461776110.db2.gz FCPWYYUWDYLFBE-KDURUIRLSA-N 2 2 340.442 3.398 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000656533676 461776761 /nfs/dbraw/zinc/77/67/61/461776761.db2.gz CRLSBUDCZOGIGZ-UHFFFAOYSA-N 2 2 348.450 3.351 20 0 EGADLP c1c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000666770144 461795727 /nfs/dbraw/zinc/79/57/27/461795727.db2.gz MQITUURGPCEWHP-IBGZPJMESA-N 2 2 347.466 3.166 20 0 EGADLP C[NH+](CCC[N@@H+](C)CCc1noc2ccccc21)Cc1ccco1 ZINC000653674380 461801197 /nfs/dbraw/zinc/80/11/97/461801197.db2.gz AFRMHKBOFVXSMK-UHFFFAOYSA-N 2 2 327.428 3.417 20 0 EGADLP C[NH+](CCC[N@H+](C)CCc1noc2ccccc21)Cc1ccco1 ZINC000653674380 461801201 /nfs/dbraw/zinc/80/12/01/461801201.db2.gz AFRMHKBOFVXSMK-UHFFFAOYSA-N 2 2 327.428 3.417 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1noc2ccccc21 ZINC000653674380 461801207 /nfs/dbraw/zinc/80/12/07/461801207.db2.gz AFRMHKBOFVXSMK-UHFFFAOYSA-N 2 2 327.428 3.417 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1noc2ccccc21 ZINC000653674380 461801210 /nfs/dbraw/zinc/80/12/10/461801210.db2.gz AFRMHKBOFVXSMK-UHFFFAOYSA-N 2 2 327.428 3.417 20 0 EGADLP C[C@@H](CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476649 461801666 /nfs/dbraw/zinc/80/16/66/461801666.db2.gz DKJYXFYHGVFVDB-PZJWPPBQSA-N 2 2 346.515 3.169 20 0 EGADLP C[C@@H](CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000660476649 461801673 /nfs/dbraw/zinc/80/16/73/461801673.db2.gz DKJYXFYHGVFVDB-PZJWPPBQSA-N 2 2 346.515 3.169 20 0 EGADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000639227686 461815417 /nfs/dbraw/zinc/81/54/17/461815417.db2.gz PMJOEFKVAIKSLL-MJGOQNOKSA-N 2 2 343.515 3.078 20 0 EGADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000639227686 461815423 /nfs/dbraw/zinc/81/54/23/461815423.db2.gz PMJOEFKVAIKSLL-MJGOQNOKSA-N 2 2 343.515 3.078 20 0 EGADLP CC[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1)OC ZINC000639230893 461816729 /nfs/dbraw/zinc/81/67/29/461816729.db2.gz GWKTWTPUKMGDNQ-FQEVSTJZSA-N 2 2 347.503 3.014 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000669934885 461843382 /nfs/dbraw/zinc/84/33/82/461843382.db2.gz XAPNLGZRFQXAGE-RLLQIKCJSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000669934885 461843386 /nfs/dbraw/zinc/84/33/86/461843386.db2.gz XAPNLGZRFQXAGE-RLLQIKCJSA-N 2 2 343.515 3.373 20 0 EGADLP CC(C)(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)Oc1ccccc1 ZINC000639301915 461851395 /nfs/dbraw/zinc/85/13/95/461851395.db2.gz IWPDZVUWNLYHCZ-GOSISDBHSA-N 2 2 332.488 3.031 20 0 EGADLP CC(C)(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)Oc1ccccc1 ZINC000639301915 461851404 /nfs/dbraw/zinc/85/14/04/461851404.db2.gz IWPDZVUWNLYHCZ-GOSISDBHSA-N 2 2 332.488 3.031 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000647849195 461857112 /nfs/dbraw/zinc/85/71/12/461857112.db2.gz KMEHRNKBZDNXHY-UHFFFAOYSA-N 2 2 327.428 3.006 20 0 EGADLP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000647849195 461857120 /nfs/dbraw/zinc/85/71/20/461857120.db2.gz KMEHRNKBZDNXHY-UHFFFAOYSA-N 2 2 327.428 3.006 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936437 461894591 /nfs/dbraw/zinc/89/45/91/461894591.db2.gz DPEFWHCTTUGPOO-CPUCHLNUSA-N 2 2 337.533 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC[C@H]1[NH3+] ZINC000647936437 461894599 /nfs/dbraw/zinc/89/45/99/461894599.db2.gz DPEFWHCTTUGPOO-CPUCHLNUSA-N 2 2 337.533 3.011 20 0 EGADLP COc1sc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Br ZINC000650710917 461905790 /nfs/dbraw/zinc/90/57/90/461905790.db2.gz CXEHSGKHLYGSJC-GWCFXTLKSA-N 2 2 347.322 3.469 20 0 EGADLP COc1sc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1Br ZINC000650710917 461905795 /nfs/dbraw/zinc/90/57/95/461905795.db2.gz CXEHSGKHLYGSJC-GWCFXTLKSA-N 2 2 347.322 3.469 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000639388402 461905941 /nfs/dbraw/zinc/90/59/41/461905941.db2.gz YZIIBPRRLPUPPR-JSQNDZKTSA-N 2 2 342.405 3.256 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000639388402 461905946 /nfs/dbraw/zinc/90/59/46/461905946.db2.gz YZIIBPRRLPUPPR-JSQNDZKTSA-N 2 2 342.405 3.256 20 0 EGADLP Fc1ccccc1OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674700 461920506 /nfs/dbraw/zinc/92/05/06/461920506.db2.gz ULXLHPWPDVWCPI-UHFFFAOYSA-N 2 2 328.431 3.459 20 0 EGADLP CC[C@H](OCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1)c1ccccc1 ZINC000660696702 461928976 /nfs/dbraw/zinc/92/89/76/461928976.db2.gz UIBKDMBQFLRQTQ-FQEVSTJZSA-N 2 2 348.531 3.227 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000648004337 461933519 /nfs/dbraw/zinc/93/35/19/461933519.db2.gz ADDWRMOBRKCPQN-UHFFFAOYSA-N 2 2 325.416 3.091 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ncc(Br)s1 ZINC000650755113 461937187 /nfs/dbraw/zinc/93/71/87/461937187.db2.gz ZLLNUTWQOIEBIS-MRVPVSSYSA-N 2 2 344.253 3.354 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000648013942 461942932 /nfs/dbraw/zinc/94/29/32/461942932.db2.gz WLLKWVFVQVMSGG-YOEHRIQHSA-N 2 2 339.443 3.268 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)o1 ZINC000648013942 461942938 /nfs/dbraw/zinc/94/29/38/461942938.db2.gz WLLKWVFVQVMSGG-YOEHRIQHSA-N 2 2 339.443 3.268 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@]3(C)c3ccccc3)c2cc1C ZINC000644574755 461991896 /nfs/dbraw/zinc/99/18/96/461991896.db2.gz DJGODMNFWNBDFA-STZQEDGTSA-N 2 2 349.478 3.334 20 0 EGADLP CSc1ccc(F)cc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644580863 461995110 /nfs/dbraw/zinc/99/51/10/461995110.db2.gz LZDHFEXFFVLGFW-GOSISDBHSA-N 2 2 348.487 3.130 20 0 EGADLP CSc1ccc(F)cc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644580863 461995116 /nfs/dbraw/zinc/99/51/16/461995116.db2.gz LZDHFEXFFVLGFW-GOSISDBHSA-N 2 2 348.487 3.130 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648166277 461995637 /nfs/dbraw/zinc/99/56/37/461995637.db2.gz FIVFCBCAJVLDFM-QGZVFWFLSA-N 2 2 348.878 3.038 20 0 EGADLP Cc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000667345698 462050345 /nfs/dbraw/zinc/05/03/45/462050345.db2.gz MEAUPHCXRMUQBP-JKSUJKDBSA-N 2 2 345.491 3.032 20 0 EGADLP C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657329990 462051277 /nfs/dbraw/zinc/05/12/77/462051277.db2.gz IAUISCONKNAHQZ-LBPRGKRZSA-N 2 2 334.261 3.313 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccnc(OC3CCCCC3)c1)CCC2 ZINC000657339120 462057536 /nfs/dbraw/zinc/05/75/36/462057536.db2.gz MCLWAFAEEWXDDN-UHFFFAOYSA-N 2 2 326.444 3.226 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388170 462091059 /nfs/dbraw/zinc/09/10/59/462091059.db2.gz GWVBIGMFQYZOHM-APWZRJJASA-N 2 2 338.499 3.440 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388170 462091064 /nfs/dbraw/zinc/09/10/64/462091064.db2.gz GWVBIGMFQYZOHM-APWZRJJASA-N 2 2 338.499 3.440 20 0 EGADLP C[NH+]1CCC([NH+]2CCC([NH2+]C3CCc4ccccc4CC3)CC2)CC1 ZINC000651211881 462136378 /nfs/dbraw/zinc/13/63/78/462136378.db2.gz CTDAVDUOXKVLSA-UHFFFAOYSA-N 3 2 341.543 3.082 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@H]3c3cnn(C(C)C)c3)n2c1 ZINC000657509375 462162149 /nfs/dbraw/zinc/16/21/49/462162149.db2.gz FNGNFUBGWGTLHJ-MJGOQNOKSA-N 2 2 339.443 3.040 20 0 EGADLP COc1cccc([C@@H](CNc2[nH+]cnc3[nH]c(C)c(C)c32)[NH+](C)C)c1 ZINC000645096975 462177586 /nfs/dbraw/zinc/17/75/86/462177586.db2.gz LSDREFQHTHSXQI-MRXNPFEDSA-N 2 2 339.443 3.298 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)on2)cc1 ZINC000657635554 462212910 /nfs/dbraw/zinc/21/29/10/462212910.db2.gz UOSATUHVLLPYSM-CVEARBPZSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)on2)cc1 ZINC000657635554 462212915 /nfs/dbraw/zinc/21/29/15/462212915.db2.gz UOSATUHVLLPYSM-CVEARBPZSA-N 2 2 327.428 3.067 20 0 EGADLP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000648652479 462214203 /nfs/dbraw/zinc/21/42/03/462214203.db2.gz GEOXCSALURCXFI-SFHVURJKSA-N 2 2 339.414 3.359 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000657813730 462279610 /nfs/dbraw/zinc/27/96/10/462279610.db2.gz YRBRIQVWKDLQJL-PGRDOPGGSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000657813730 462279615 /nfs/dbraw/zinc/27/96/15/462279615.db2.gz YRBRIQVWKDLQJL-PGRDOPGGSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000657876053 462304856 /nfs/dbraw/zinc/30/48/56/462304856.db2.gz TZYVQARWHGPLPB-ZWOKBUDYSA-N 2 2 342.483 3.400 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000657877796 462305682 /nfs/dbraw/zinc/30/56/82/462305682.db2.gz DRZLJEFMWFHCAC-LQWHRVPQSA-N 2 2 331.548 3.213 20 0 EGADLP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000657877796 462305689 /nfs/dbraw/zinc/30/56/89/462305689.db2.gz DRZLJEFMWFHCAC-LQWHRVPQSA-N 2 2 331.548 3.213 20 0 EGADLP COC1([C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCC1 ZINC000657887165 462308261 /nfs/dbraw/zinc/30/82/61/462308261.db2.gz HOUKWJGQVLIAAS-ZWKOTPCHSA-N 2 2 346.515 3.434 20 0 EGADLP C[N@@H+]1CC[C@@H](NCC[NH+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385448 462308768 /nfs/dbraw/zinc/30/87/68/462308768.db2.gz KLBXIWHYLRUYFS-PKTZIBPZSA-N 2 2 349.522 3.470 20 0 EGADLP C[N@H+]1CC[C@@H](NCC[NH+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385448 462308775 /nfs/dbraw/zinc/30/87/75/462308775.db2.gz KLBXIWHYLRUYFS-PKTZIBPZSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@@H](NCC[N@@H+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385448 462308782 /nfs/dbraw/zinc/30/87/82/462308782.db2.gz KLBXIWHYLRUYFS-PKTZIBPZSA-N 2 2 349.522 3.470 20 0 EGADLP C[NH+]1CC[C@@H](NCC[N@H+]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000645385448 462308786 /nfs/dbraw/zinc/30/87/86/462308786.db2.gz KLBXIWHYLRUYFS-PKTZIBPZSA-N 2 2 349.522 3.470 20 0 EGADLP CC(C)c1nc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c2ccccn21 ZINC000651810109 462343583 /nfs/dbraw/zinc/34/35/83/462343583.db2.gz OJLKRRIAJBUKOM-MRXNPFEDSA-N 2 2 337.471 3.349 20 0 EGADLP CC(C)c1nc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c2ccccn21 ZINC000651810109 462343590 /nfs/dbraw/zinc/34/35/90/462343590.db2.gz OJLKRRIAJBUKOM-MRXNPFEDSA-N 2 2 337.471 3.349 20 0 EGADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCC2)nnn1-c1cccc(Cl)c1 ZINC000665249723 462369125 /nfs/dbraw/zinc/36/91/25/462369125.db2.gz XSZIHNJJFLJHEM-LBPRGKRZSA-N 2 2 333.867 3.151 20 0 EGADLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(CO)c1 ZINC000665257892 462373278 /nfs/dbraw/zinc/37/32/78/462373278.db2.gz XQIZLBNGYNOOSX-JSNMRZPZSA-N 2 2 328.431 3.114 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000665295668 462390168 /nfs/dbraw/zinc/39/01/68/462390168.db2.gz HLWVQQLWONLOER-ISTVAULSSA-N 2 2 329.307 3.430 20 0 EGADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652139738 462447270 /nfs/dbraw/zinc/44/72/70/462447270.db2.gz SUSMEORWOFDYSR-HIFRSBDPSA-N 2 2 333.432 3.038 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)c2ccccn2)cc1 ZINC000652151158 462452381 /nfs/dbraw/zinc/45/23/81/462452381.db2.gz KRCOKSYGOHIQGN-JXFKEZNVSA-N 2 2 325.456 3.111 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)c2ccccn2)cc1 ZINC000652151158 462452385 /nfs/dbraw/zinc/45/23/85/462452385.db2.gz KRCOKSYGOHIQGN-JXFKEZNVSA-N 2 2 325.456 3.111 20 0 EGADLP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000645885738 462456566 /nfs/dbraw/zinc/45/65/66/462456566.db2.gz BZOSBGLJMCZUEK-NQIIRXRSSA-N 2 2 338.499 3.136 20 0 EGADLP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(C)c1 ZINC000645885738 462456572 /nfs/dbraw/zinc/45/65/72/462456572.db2.gz BZOSBGLJMCZUEK-NQIIRXRSSA-N 2 2 338.499 3.136 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000658294956 462461523 /nfs/dbraw/zinc/46/15/23/462461523.db2.gz KLEQKQMZBZBEOO-CRAIPNDOSA-N 2 2 325.456 3.139 20 0 EGADLP Cc1ccccc1C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658296658 462462589 /nfs/dbraw/zinc/46/25/89/462462589.db2.gz UUMIFCYSUOWZRZ-NHCUHLMSSA-N 2 2 328.500 3.159 20 0 EGADLP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccn2)cc1 ZINC000652205222 462471523 /nfs/dbraw/zinc/47/15/23/462471523.db2.gz QQNMAUJCUODXFA-RHXYGLJOSA-N 2 2 337.467 3.394 20 0 EGADLP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccn2)cc1 ZINC000652205222 462471527 /nfs/dbraw/zinc/47/15/27/462471527.db2.gz QQNMAUJCUODXFA-RHXYGLJOSA-N 2 2 337.467 3.394 20 0 EGADLP [NH3+]Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000649302128 462472146 /nfs/dbraw/zinc/47/21/46/462472146.db2.gz ZMEKFZADFCQIPG-UHFFFAOYSA-N 2 2 336.395 3.190 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000658330166 462479594 /nfs/dbraw/zinc/47/95/94/462479594.db2.gz QQVUEORRZLSIQH-IOMROCGXSA-N 2 2 345.531 3.477 20 0 EGADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCCCC1 ZINC000658330166 462479598 /nfs/dbraw/zinc/47/95/98/462479598.db2.gz QQVUEORRZLSIQH-IOMROCGXSA-N 2 2 345.531 3.477 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nc(C3CCCCC3)cs1)CCO2 ZINC000646106398 462519017 /nfs/dbraw/zinc/51/90/17/462519017.db2.gz XABYVBKGSNPBRE-UHFFFAOYSA-N 2 2 349.544 3.487 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nc(C3CCCCC3)cs1)CCO2 ZINC000646106398 462519018 /nfs/dbraw/zinc/51/90/18/462519018.db2.gz XABYVBKGSNPBRE-UHFFFAOYSA-N 2 2 349.544 3.487 20 0 EGADLP c1ccc2c(c1)cc[nH+]c2NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000527865329 478553022 /nfs/dbraw/zinc/55/30/22/478553022.db2.gz GGVGMCILHJNWMU-UHFFFAOYSA-N 3 2 347.466 3.254 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000179476322 534036396 /nfs/dbraw/zinc/03/63/96/534036396.db2.gz KFQXHLNMAQDQRB-DOMZBBRYSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000179476322 534036410 /nfs/dbraw/zinc/03/64/10/534036410.db2.gz KFQXHLNMAQDQRB-DOMZBBRYSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181086398 534049459 /nfs/dbraw/zinc/04/94/59/534049459.db2.gz XGSDVJXXZHOMLV-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181086398 534049469 /nfs/dbraw/zinc/04/94/69/534049469.db2.gz XGSDVJXXZHOMLV-HNNXBMFYSA-N 2 2 348.878 3.078 20 0 EGADLP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154038011 527800591 /nfs/dbraw/zinc/80/05/91/527800591.db2.gz OHFVJFDYWQSALD-IAGOWNOFSA-N 2 2 326.444 3.047 20 0 EGADLP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000154038011 527800597 /nfs/dbraw/zinc/80/05/97/527800597.db2.gz OHFVJFDYWQSALD-IAGOWNOFSA-N 2 2 326.444 3.047 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967869 527852258 /nfs/dbraw/zinc/85/22/58/527852258.db2.gz WQKBPUVPRBJJKW-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967869 527852263 /nfs/dbraw/zinc/85/22/63/527852263.db2.gz WQKBPUVPRBJJKW-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967869 527852274 /nfs/dbraw/zinc/85/22/74/527852274.db2.gz WQKBPUVPRBJJKW-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000174967869 527852283 /nfs/dbraw/zinc/85/22/83/527852283.db2.gz WQKBPUVPRBJJKW-LSDHHAIUSA-N 2 2 337.895 3.331 20 0 EGADLP CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178078692 528011102 /nfs/dbraw/zinc/01/11/02/528011102.db2.gz YAKBKMOOXLLNRP-MRXNPFEDSA-N 2 2 328.460 3.172 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC(F)F ZINC000179638274 528266022 /nfs/dbraw/zinc/26/60/22/528266022.db2.gz ZZSNEIPCNVULQG-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC(F)F ZINC000179638274 528266028 /nfs/dbraw/zinc/26/60/28/528266028.db2.gz ZZSNEIPCNVULQG-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CCOC(=O)C1CCC([NH2+]CCCc2[nH+]c3ccccc3n2C)CC1 ZINC000181346452 528626148 /nfs/dbraw/zinc/62/61/48/528626148.db2.gz CVXFXMPFPVDUQN-UHFFFAOYSA-N 2 2 343.471 3.217 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000191480326 528867041 /nfs/dbraw/zinc/86/70/41/528867041.db2.gz JDZJHWHGTIXPFS-UHFFFAOYSA-N 2 2 339.443 3.408 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000191480326 528867048 /nfs/dbraw/zinc/86/70/48/528867048.db2.gz JDZJHWHGTIXPFS-UHFFFAOYSA-N 2 2 339.443 3.408 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000353453728 535361991 /nfs/dbraw/zinc/36/19/91/535361991.db2.gz ZKSOVKUFYSDSFH-GOSISDBHSA-N 2 2 346.519 3.245 20 0 EGADLP CCOC(=O)c1coc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000354581065 535719167 /nfs/dbraw/zinc/71/91/67/535719167.db2.gz FBVNCEBNJLQXCO-UHFFFAOYSA-N 2 2 341.411 3.065 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000151731710 546858647 /nfs/dbraw/zinc/85/86/47/546858647.db2.gz LAXTXTTWHCUADT-NQIIRXRSSA-N 3 2 331.548 3.259 20 0 EGADLP C[C@@H](CC[N@@H+]1CCOC2(CCCC2)C1)[NH+]1CCOC2(CCCC2)C1 ZINC000155090845 546899004 /nfs/dbraw/zinc/89/90/04/546899004.db2.gz WTZNTIJHBCFABH-SFHVURJKSA-N 2 2 336.520 3.055 20 0 EGADLP C[C@@H](CC[N@H+]1CCOC2(CCCC2)C1)[NH+]1CCOC2(CCCC2)C1 ZINC000155090845 546899007 /nfs/dbraw/zinc/89/90/07/546899007.db2.gz WTZNTIJHBCFABH-SFHVURJKSA-N 2 2 336.520 3.055 20 0 EGADLP C[C@@H](CC[NH+]1CCOC2(CCCC2)C1)[N@@H+]1CCOC2(CCCC2)C1 ZINC000155090845 546899011 /nfs/dbraw/zinc/89/90/11/546899011.db2.gz WTZNTIJHBCFABH-SFHVURJKSA-N 2 2 336.520 3.055 20 0 EGADLP C[C@@H](CC[NH+]1CCOC2(CCCC2)C1)[N@H+]1CCOC2(CCCC2)C1 ZINC000155090845 546899013 /nfs/dbraw/zinc/89/90/13/546899013.db2.gz WTZNTIJHBCFABH-SFHVURJKSA-N 2 2 336.520 3.055 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166204042 546987295 /nfs/dbraw/zinc/98/72/95/546987295.db2.gz WCEIEVVERXXTSA-NHCUHLMSSA-N 3 2 327.516 3.176 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166204042 546987299 /nfs/dbraw/zinc/98/72/99/546987299.db2.gz WCEIEVVERXXTSA-NHCUHLMSSA-N 3 2 327.516 3.176 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCSc3c(F)cccc32)C[C@H](C)O1 ZINC000178482545 547037736 /nfs/dbraw/zinc/03/77/36/547037736.db2.gz YJMCNECQUTXCHV-JKIFEVAISA-N 2 2 338.492 3.452 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCSc3c(F)cccc32)C[C@@H](C)O1 ZINC000178482577 547038201 /nfs/dbraw/zinc/03/82/01/547038201.db2.gz YJMCNECQUTXCHV-CKEIUWERSA-N 2 2 338.492 3.452 20 0 EGADLP Cc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000179802126 547050319 /nfs/dbraw/zinc/05/03/19/547050319.db2.gz HHIDAVYKMRZUTP-UHFFFAOYSA-N 2 2 338.455 3.424 20 0 EGADLP CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CCO2 ZINC000187547650 547140533 /nfs/dbraw/zinc/14/05/33/547140533.db2.gz VTGMABKWLMBWFS-KRWDZBQOSA-N 2 2 327.428 3.160 20 0 EGADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[NH+](CC)CC1 ZINC000197855418 547234514 /nfs/dbraw/zinc/23/45/14/547234514.db2.gz ISYZVNUSUBPCKL-UHFFFAOYSA-N 2 2 341.455 3.170 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000333856556 547543883 /nfs/dbraw/zinc/54/38/83/547543883.db2.gz RASRZPASAZUWLI-BFRPXFFUSA-N 2 2 343.519 3.169 20 0 EGADLP C[C@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282420 547573986 /nfs/dbraw/zinc/57/39/86/547573986.db2.gz SNBVJTHTWHXMDF-SJORKVTESA-N 2 2 340.471 3.314 20 0 EGADLP C[C@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000339282420 547573988 /nfs/dbraw/zinc/57/39/88/547573988.db2.gz SNBVJTHTWHXMDF-SJORKVTESA-N 2 2 340.471 3.314 20 0 EGADLP C[C@](CO)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000361736167 547765744 /nfs/dbraw/zinc/76/57/44/547765744.db2.gz UZRFOKAWYZWKNQ-LJQANCHMSA-N 2 2 341.480 3.265 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3scnc3C3CC3)[nH+]c2)C1 ZINC000362626897 547772117 /nfs/dbraw/zinc/77/21/17/547772117.db2.gz KDKQVAXMFDKRNW-OAHLLOKOSA-N 2 2 343.500 3.168 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(C(C)C)CC3)c2cc1C ZINC000409449159 547839444 /nfs/dbraw/zinc/83/94/44/547839444.db2.gz WZTXEJSWWMYUKE-GOSISDBHSA-N 2 2 329.488 3.382 20 0 EGADLP C[C@H](c1ccccc1F)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947162 547885662 /nfs/dbraw/zinc/88/56/62/547885662.db2.gz ZNWMOHPHRILERY-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccccc1F)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425947162 547885665 /nfs/dbraw/zinc/88/56/65/547885665.db2.gz ZNWMOHPHRILERY-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425947162 547885669 /nfs/dbraw/zinc/88/56/69/547885669.db2.gz ZNWMOHPHRILERY-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1ccccc1F)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425947162 547885670 /nfs/dbraw/zinc/88/56/70/547885670.db2.gz ZNWMOHPHRILERY-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000671302446 548275105 /nfs/dbraw/zinc/27/51/05/548275105.db2.gz XDTREJDMSKEZBL-CQSZACIVSA-N 2 2 328.460 3.042 20 0 EGADLP O[C@@]1(C[NH2+][C@@H]2CSc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000675898031 548999289 /nfs/dbraw/zinc/99/92/89/548999289.db2.gz DIGKJGJVRGUZFZ-UYAOXDASSA-N 2 2 340.492 3.060 20 0 EGADLP O[C@@]1(C[NH2+][C@@H]2CSc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000675898031 548999292 /nfs/dbraw/zinc/99/92/92/548999292.db2.gz DIGKJGJVRGUZFZ-UYAOXDASSA-N 2 2 340.492 3.060 20 0 EGADLP COc1ccc(COCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000677737147 549324504 /nfs/dbraw/zinc/32/45/04/549324504.db2.gz LBZQRZALHOWSHR-UHFFFAOYSA-N 2 2 341.455 3.183 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000678258997 549448800 /nfs/dbraw/zinc/44/88/00/549448800.db2.gz UTUQPHHIXWASAZ-VSERLBFKSA-N 2 2 333.907 3.065 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000678258997 549448802 /nfs/dbraw/zinc/44/88/02/549448802.db2.gz UTUQPHHIXWASAZ-VSERLBFKSA-N 2 2 333.907 3.065 20 0 EGADLP CC(C)(C)c1nc(NCC2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000678482394 549506587 /nfs/dbraw/zinc/50/65/87/549506587.db2.gz DRFWBJKDSIQPNK-UHFFFAOYSA-N 2 2 325.460 3.498 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000678562745 549519645 /nfs/dbraw/zinc/51/96/45/549519645.db2.gz PZIDHNFYDWKSFF-UHFFFAOYSA-N 2 2 344.503 3.054 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C2CC2)cc1 ZINC000678562745 549519649 /nfs/dbraw/zinc/51/96/49/549519649.db2.gz PZIDHNFYDWKSFF-UHFFFAOYSA-N 2 2 344.503 3.054 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000678588492 549525143 /nfs/dbraw/zinc/52/51/43/549525143.db2.gz ZLYLXGJDBYWLBW-IRXDYDNUSA-N 2 2 338.455 3.068 20 0 EGADLP CCN1C[C@@H](C[N@H+](C)Cc2cccc3[nH+]ccn32)Oc2ccccc21 ZINC000678811188 549566350 /nfs/dbraw/zinc/56/63/50/549566350.db2.gz KSOOFYQJYJRAAH-QGZVFWFLSA-N 2 2 336.439 3.054 20 0 EGADLP CCN1C[C@@H](C[N@@H+](C)Cc2cccc3[nH+]ccn32)Oc2ccccc21 ZINC000678811188 549566352 /nfs/dbraw/zinc/56/63/52/549566352.db2.gz KSOOFYQJYJRAAH-QGZVFWFLSA-N 2 2 336.439 3.054 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c5ccncc45)[C@H]3C2)cc1 ZINC000680075139 549816334 /nfs/dbraw/zinc/81/63/34/549816334.db2.gz ZRWKEEUFQWWNPL-CUWPLCDZSA-N 2 2 344.462 3.374 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c5ccncc45)[C@H]3C2)cc1 ZINC000680075139 549816336 /nfs/dbraw/zinc/81/63/36/549816336.db2.gz ZRWKEEUFQWWNPL-CUWPLCDZSA-N 2 2 344.462 3.374 20 0 EGADLP COc1ccc2c(c1)CC[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)C2 ZINC000680334430 549850943 /nfs/dbraw/zinc/85/09/43/549850943.db2.gz OLNHLWREVNSBJN-IBGZPJMESA-N 2 2 337.467 3.206 20 0 EGADLP CC[NH+](CC)Cc1ccc(-c2nc(Cc3ccc(C)[nH+]c3)no2)o1 ZINC000680713456 549898263 /nfs/dbraw/zinc/89/82/63/549898263.db2.gz WATRMLVKSPUJTI-UHFFFAOYSA-N 2 2 326.400 3.466 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616002 550120576 /nfs/dbraw/zinc/12/05/76/550120576.db2.gz OVCVNDDOOCWNCX-RLLQIKCJSA-N 2 2 340.515 3.412 20 0 EGADLP CC(C)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616002 550120578 /nfs/dbraw/zinc/12/05/78/550120578.db2.gz OVCVNDDOOCWNCX-RLLQIKCJSA-N 2 2 340.515 3.412 20 0 EGADLP CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)[nH]1 ZINC000683078770 550187590 /nfs/dbraw/zinc/18/75/90/550187590.db2.gz IJWDCLZRMIPRTG-GJZGRUSLSA-N 2 2 345.491 3.109 20 0 EGADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000684111813 550292491 /nfs/dbraw/zinc/29/24/91/550292491.db2.gz FMSAVODEZRMQCD-SJLPKXTDSA-N 2 2 335.455 3.422 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000684113304 550292695 /nfs/dbraw/zinc/29/26/95/550292695.db2.gz CHHFXASVMQIJPO-WMZOPIPTSA-N 2 2 331.504 3.422 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000684113304 550292697 /nfs/dbraw/zinc/29/26/97/550292697.db2.gz CHHFXASVMQIJPO-WMZOPIPTSA-N 2 2 331.504 3.422 20 0 EGADLP CCc1nn(C)cc1C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000684422915 550328651 /nfs/dbraw/zinc/32/86/51/550328651.db2.gz WVPVYXBTJZIBOZ-UHFFFAOYSA-N 2 2 337.471 3.478 20 0 EGADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000685880772 550451267 /nfs/dbraw/zinc/45/12/67/550451267.db2.gz ADJZHSQNMYVDMA-KRWDZBQOSA-N 2 2 332.492 3.077 20 0 EGADLP O[C@@H](C[N@H+](Cc1c(F)cccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543454 574870301 /nfs/dbraw/zinc/87/03/01/574870301.db2.gz FZZMGCXKAGCBSG-MRXNPFEDSA-N 2 2 338.442 3.166 20 0 EGADLP O[C@@H](C[N@@H+](Cc1c(F)cccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000729543454 574870303 /nfs/dbraw/zinc/87/03/03/574870303.db2.gz FZZMGCXKAGCBSG-MRXNPFEDSA-N 2 2 338.442 3.166 20 0 EGADLP O[C@@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920237 574895637 /nfs/dbraw/zinc/89/56/37/574895637.db2.gz LJOHFZYUPFVXTA-HOTGVXAUSA-N 2 2 339.361 3.272 20 0 EGADLP O[C@@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(C(F)(F)F)cc1 ZINC000729920237 574895639 /nfs/dbraw/zinc/89/56/39/574895639.db2.gz LJOHFZYUPFVXTA-HOTGVXAUSA-N 2 2 339.361 3.272 20 0 EGADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000309947516 574980999 /nfs/dbraw/zinc/98/09/99/574980999.db2.gz QPWRCDMESJUZQO-OAGGEKHMSA-N 2 2 336.480 3.039 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000731483969 575076361 /nfs/dbraw/zinc/07/63/61/575076361.db2.gz WSLCBKQEEMICOV-SJORKVTESA-N 2 2 348.491 3.167 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000731483969 575076362 /nfs/dbraw/zinc/07/63/62/575076362.db2.gz WSLCBKQEEMICOV-SJORKVTESA-N 2 2 348.491 3.167 20 0 EGADLP O=C1c2cccc3cccc(c23)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738148278 576293247 /nfs/dbraw/zinc/29/32/47/576293247.db2.gz KGCLKJXPRFWZQC-MRXNPFEDSA-N 2 2 332.407 3.291 20 0 EGADLP O=C1c2cccc3cccc(c23)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738148278 576293250 /nfs/dbraw/zinc/29/32/50/576293250.db2.gz KGCLKJXPRFWZQC-MRXNPFEDSA-N 2 2 332.407 3.291 20 0 EGADLP Cn1c2ccccc2n(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738160627 576294950 /nfs/dbraw/zinc/29/49/50/576294950.db2.gz XRIACYXAVPQFSK-CQSZACIVSA-N 2 2 327.457 3.200 20 0 EGADLP Cn1c2ccccc2n(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738160627 576294954 /nfs/dbraw/zinc/29/49/54/576294954.db2.gz XRIACYXAVPQFSK-CQSZACIVSA-N 2 2 327.457 3.200 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883964 576633231 /nfs/dbraw/zinc/63/32/31/576633231.db2.gz RAZULMPCMOVQRR-CJNGLKHVSA-N 2 2 344.455 3.112 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883964 576633233 /nfs/dbraw/zinc/63/32/33/576633233.db2.gz RAZULMPCMOVQRR-CJNGLKHVSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883964 576633235 /nfs/dbraw/zinc/63/32/35/576633235.db2.gz RAZULMPCMOVQRR-CJNGLKHVSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@H]1C ZINC000740883964 576633236 /nfs/dbraw/zinc/63/32/36/576633236.db2.gz RAZULMPCMOVQRR-CJNGLKHVSA-N 2 2 344.455 3.112 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846227 576816824 /nfs/dbraw/zinc/81/68/24/576816824.db2.gz GMWDGJIVHOSRBX-RTBURBONSA-N 2 2 338.455 3.024 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846227 576816825 /nfs/dbraw/zinc/81/68/25/576816825.db2.gz GMWDGJIVHOSRBX-RTBURBONSA-N 2 2 338.455 3.024 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000693733557 1298151139 /nfs/dbraw/zinc/15/11/39/1298151139.db2.gz AKYSXEMJIJOQDU-GHRYLNIYSA-N 3 2 341.543 3.406 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000693733557 1298151141 /nfs/dbraw/zinc/15/11/41/1298151141.db2.gz AKYSXEMJIJOQDU-GHRYLNIYSA-N 3 2 341.543 3.406 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877970002 1299675084 /nfs/dbraw/zinc/67/50/84/1299675084.db2.gz JKRUTXGAODVISU-CQSZACIVSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000877970000 1299675433 /nfs/dbraw/zinc/67/54/33/1299675433.db2.gz JKRUTXGAODVISU-AWEZNQCLSA-N 2 2 337.895 3.249 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229123 1291436133 /nfs/dbraw/zinc/43/61/33/1291436133.db2.gz ONAYLIYYCIAFMR-OAHLLOKOSA-N 2 2 344.890 3.408 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229123 1291436134 /nfs/dbraw/zinc/43/61/34/1291436134.db2.gz ONAYLIYYCIAFMR-OAHLLOKOSA-N 2 2 344.890 3.408 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000052049715 1291690050 /nfs/dbraw/zinc/69/00/50/1291690050.db2.gz GASVLPCXGODHON-UHFFFAOYSA-N 2 2 343.515 3.229 20 0 EGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3F)cc2)CC1 ZINC000061070174 1291959255 /nfs/dbraw/zinc/95/92/55/1291959255.db2.gz XGCGUVWTFPNAMR-UHFFFAOYSA-N 2 2 341.474 3.253 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)Cn1cc[nH+]c1 ZINC000062254312 1291984354 /nfs/dbraw/zinc/98/43/54/1291984354.db2.gz QRWQFXAKUKXWGD-CYBMUJFWSA-N 2 2 327.350 3.250 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c1Cl ZINC000063917559 1292031749 /nfs/dbraw/zinc/03/17/49/1292031749.db2.gz XIYOMDXQBHGKSM-OAHLLOKOSA-N 2 2 326.916 3.467 20 0 EGADLP CCCCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1Cl ZINC000063917559 1292031755 /nfs/dbraw/zinc/03/17/55/1292031755.db2.gz XIYOMDXQBHGKSM-OAHLLOKOSA-N 2 2 326.916 3.467 20 0 EGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000069784020 1292252532 /nfs/dbraw/zinc/25/25/32/1292252532.db2.gz NORZWTRWEXXSPH-AWEZNQCLSA-N 2 2 326.916 3.409 20 0 EGADLP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000072629575 1292284063 /nfs/dbraw/zinc/28/40/63/1292284063.db2.gz FLCPNTXKAMWCJU-UHFFFAOYSA-N 2 2 339.430 3.100 20 0 EGADLP CCOc1c(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)c(C)nn1CC(C)C ZINC000125445515 1293507655 /nfs/dbraw/zinc/50/76/55/1293507655.db2.gz IQPUGRGZXBCWQE-QGZVFWFLSA-N 2 2 336.524 3.068 20 0 EGADLP CCOc1c(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c(C)nn1CC(C)C ZINC000125445515 1293507660 /nfs/dbraw/zinc/50/76/60/1293507660.db2.gz IQPUGRGZXBCWQE-QGZVFWFLSA-N 2 2 336.524 3.068 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157674618 1294184425 /nfs/dbraw/zinc/18/44/25/1294184425.db2.gz UKWYRQDTWZLZHP-AUUYWEPGSA-N 2 2 325.387 3.396 20 0 EGADLP CC[C@@H](C)[C@](C)(O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000163839327 1294339283 /nfs/dbraw/zinc/33/92/83/1294339283.db2.gz QFHLKWMXOOSPJA-OXQOHEQNSA-N 2 2 333.520 3.108 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@@H+]1C1CC1 ZINC000181026435 1294932487 /nfs/dbraw/zinc/93/24/87/1294932487.db2.gz CFSSQXRWIGQHPF-WMZOPIPTSA-N 2 2 330.472 3.115 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[N@H+]1C1CC1 ZINC000181026435 1294932497 /nfs/dbraw/zinc/93/24/97/1294932497.db2.gz CFSSQXRWIGQHPF-WMZOPIPTSA-N 2 2 330.472 3.115 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3COC4(CCCCCC4)O3)cc2)c[nH+]1 ZINC000181096750 1294936570 /nfs/dbraw/zinc/93/65/70/1294936570.db2.gz SINAFTPLDFZOID-LJQANCHMSA-N 2 2 341.455 3.428 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000237507586 1296247123 /nfs/dbraw/zinc/24/71/23/1296247123.db2.gz RWKQWPJRWCNVRX-MRXNPFEDSA-N 2 2 334.423 3.379 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)C1 ZINC000246858100 1296373841 /nfs/dbraw/zinc/37/38/41/1296373841.db2.gz CJAWPYVOGDBSJK-LAUBAEHRSA-N 3 2 344.547 3.041 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@@H](C)C1 ZINC000246858100 1296373855 /nfs/dbraw/zinc/37/38/55/1296373855.db2.gz CJAWPYVOGDBSJK-LAUBAEHRSA-N 3 2 344.547 3.041 20 0 EGADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248385971 1296411546 /nfs/dbraw/zinc/41/15/46/1296411546.db2.gz KQFNMPUSHBNPSZ-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248385971 1296411550 /nfs/dbraw/zinc/41/15/50/1296411550.db2.gz KQFNMPUSHBNPSZ-IRXDYDNUSA-N 2 2 339.524 3.098 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261598319 1296594579 /nfs/dbraw/zinc/59/45/79/1296594579.db2.gz ALYFPIAZPYANPC-QGZVFWFLSA-N 2 2 349.906 3.359 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000301514804 1296790220 /nfs/dbraw/zinc/79/02/20/1296790220.db2.gz ODWVFLCHZWWNMF-SJORKVTESA-N 2 2 339.524 3.144 20 0 EGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)c(F)c1 ZINC000305666505 1297020016 /nfs/dbraw/zinc/02/00/16/1297020016.db2.gz IEOSVOBDHGDASQ-GOSISDBHSA-N 2 2 345.805 3.488 20 0 EGADLP c1c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc2ccccn12 ZINC000311130841 1297104560 /nfs/dbraw/zinc/10/45/60/1297104560.db2.gz JGSCLGVSAYNUBT-LJQANCHMSA-N 2 2 334.467 3.336 20 0 EGADLP c1c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc2ccccn12 ZINC000311130841 1297104564 /nfs/dbraw/zinc/10/45/64/1297104564.db2.gz JGSCLGVSAYNUBT-LJQANCHMSA-N 2 2 334.467 3.336 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620608 1297506960 /nfs/dbraw/zinc/50/69/60/1297506960.db2.gz CQPAEVPRZBNUDT-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620608 1297506964 /nfs/dbraw/zinc/50/69/64/1297506964.db2.gz CQPAEVPRZBNUDT-IRXDYDNUSA-N 2 2 340.471 3.244 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000378965669 1297531215 /nfs/dbraw/zinc/53/12/15/1297531215.db2.gz ZRDXIYXLWOJVQZ-QUCCMNQESA-N 2 2 332.488 3.064 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000378965669 1297531226 /nfs/dbraw/zinc/53/12/26/1297531226.db2.gz ZRDXIYXLWOJVQZ-QUCCMNQESA-N 2 2 332.488 3.064 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248649 1297764104 /nfs/dbraw/zinc/76/41/04/1297764104.db2.gz IQDUIYOFVVJYRX-QYZOEREBSA-N 3 2 327.516 3.147 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405248649 1297764112 /nfs/dbraw/zinc/76/41/12/1297764112.db2.gz IQDUIYOFVVJYRX-QYZOEREBSA-N 3 2 327.516 3.147 20 0 EGADLP C[NH+](C)CC1([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CCC1 ZINC000695296228 1298160460 /nfs/dbraw/zinc/16/04/60/1298160460.db2.gz HVHVOQMTSLFIPM-UHFFFAOYSA-N 2 2 339.524 3.098 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000708548793 1298242773 /nfs/dbraw/zinc/24/27/73/1298242773.db2.gz CKTOCMZWNQLYHG-RHSMWYFYSA-N 2 2 346.906 3.240 20 0 EGADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000708548793 1298242778 /nfs/dbraw/zinc/24/27/78/1298242778.db2.gz CKTOCMZWNQLYHG-RHSMWYFYSA-N 2 2 346.906 3.240 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582529 1298243700 /nfs/dbraw/zinc/24/37/00/1298243700.db2.gz WORKSDDMJAPIHW-IEBWSBKVSA-N 2 2 348.494 3.431 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc2ccccc2n1C ZINC000708582529 1298243709 /nfs/dbraw/zinc/24/37/09/1298243709.db2.gz WORKSDDMJAPIHW-IEBWSBKVSA-N 2 2 348.494 3.431 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877056505 1299135983 /nfs/dbraw/zinc/13/59/83/1299135983.db2.gz SXGLHIKQCIIDCQ-ROMRWMGNSA-N 2 2 348.556 3.491 20 0 EGADLP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877056505 1299135987 /nfs/dbraw/zinc/13/59/87/1299135987.db2.gz SXGLHIKQCIIDCQ-ROMRWMGNSA-N 2 2 348.556 3.491 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(F)c3N)CC2)cc1 ZINC000877066116 1299140420 /nfs/dbraw/zinc/14/04/20/1299140420.db2.gz CWTYRYVTGLZGNI-UHFFFAOYSA-N 2 2 342.462 3.233 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000749334287 1299195486 /nfs/dbraw/zinc/19/54/86/1299195486.db2.gz SZOHBTWPAQYZID-GOSISDBHSA-N 2 2 339.483 3.022 20 0 EGADLP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000749334287 1299195494 /nfs/dbraw/zinc/19/54/94/1299195494.db2.gz SZOHBTWPAQYZID-GOSISDBHSA-N 2 2 339.483 3.022 20 0 EGADLP COc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(C)c1OC ZINC000877675449 1299471197 /nfs/dbraw/zinc/47/11/97/1299471197.db2.gz ZNYXCXUVDNGKOV-UHFFFAOYSA-N 2 2 332.488 3.463 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878662237 1300132442 /nfs/dbraw/zinc/13/24/42/1300132442.db2.gz NJHCOABTBSJZNU-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878662237 1300132444 /nfs/dbraw/zinc/13/24/44/1300132444.db2.gz NJHCOABTBSJZNU-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000878662237 1300132447 /nfs/dbraw/zinc/13/24/47/1300132447.db2.gz NJHCOABTBSJZNU-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878662237 1300132448 /nfs/dbraw/zinc/13/24/48/1300132448.db2.gz NJHCOABTBSJZNU-UYAOXDASSA-N 2 2 329.488 3.130 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578927 1300613635 /nfs/dbraw/zinc/61/36/35/1300613635.db2.gz XDJGSBGBHOGLFO-CTNGQTDRSA-N 2 2 349.478 3.465 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578927 1300613642 /nfs/dbraw/zinc/61/36/42/1300613642.db2.gz XDJGSBGBHOGLFO-CTNGQTDRSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578927 1300613650 /nfs/dbraw/zinc/61/36/50/1300613650.db2.gz XDJGSBGBHOGLFO-CTNGQTDRSA-N 2 2 349.478 3.465 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC[C@@H]21 ZINC000879578927 1300613654 /nfs/dbraw/zinc/61/36/54/1300613654.db2.gz XDJGSBGBHOGLFO-CTNGQTDRSA-N 2 2 349.478 3.465 20 0 EGADLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000880472283 1301135211 /nfs/dbraw/zinc/13/52/11/1301135211.db2.gz IOXMOJGXJHDVDU-INIZCTEOSA-N 2 2 342.405 3.299 20 0 EGADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844848 1301349879 /nfs/dbraw/zinc/34/98/79/1301349879.db2.gz NQFGRGAQVUILJY-BBWFWOEESA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844848 1301349892 /nfs/dbraw/zinc/34/98/92/1301349892.db2.gz NQFGRGAQVUILJY-BBWFWOEESA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844848 1301349904 /nfs/dbraw/zinc/34/99/04/1301349904.db2.gz NQFGRGAQVUILJY-BBWFWOEESA-N 2 2 339.524 3.191 20 0 EGADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000760844848 1301349916 /nfs/dbraw/zinc/34/99/16/1301349916.db2.gz NQFGRGAQVUILJY-BBWFWOEESA-N 2 2 339.524 3.191 20 0 EGADLP CC(C)(Cc1ccc(Br)cc1)[NH2+]CC[NH+]1CCCC1 ZINC000760855634 1301351354 /nfs/dbraw/zinc/35/13/54/1301351354.db2.gz FWPJKJHSHGYCOP-UHFFFAOYSA-N 2 2 325.294 3.456 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)ncc1F ZINC000762761731 1301743582 /nfs/dbraw/zinc/74/35/82/1301743582.db2.gz OFXSGAKOHXTJTO-VWYCJHECSA-N 2 2 330.245 3.117 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)ncc1F ZINC000762761731 1301743589 /nfs/dbraw/zinc/74/35/89/1301743589.db2.gz OFXSGAKOHXTJTO-VWYCJHECSA-N 2 2 330.245 3.117 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)C[N@@H+](C)[C@H]3CCSC3)c2)[nH+]c1C ZINC000763987925 1301996418 /nfs/dbraw/zinc/99/64/18/1301996418.db2.gz NNDMREMMDWBGSR-INIZCTEOSA-N 2 2 344.484 3.069 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)C[N@H+](C)[C@H]3CCSC3)c2)[nH+]c1C ZINC000763987925 1301996427 /nfs/dbraw/zinc/99/64/27/1301996427.db2.gz NNDMREMMDWBGSR-INIZCTEOSA-N 2 2 344.484 3.069 20 0 EGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765647761 1302296231 /nfs/dbraw/zinc/29/62/31/1302296231.db2.gz BOGYOIVQQPSIDC-QGZVFWFLSA-N 2 2 342.487 3.024 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765795299 1302329396 /nfs/dbraw/zinc/32/93/96/1302329396.db2.gz AVNIPPQZQZSCFI-IOASZLSFSA-N 2 2 338.904 3.330 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765795299 1302329404 /nfs/dbraw/zinc/32/94/04/1302329404.db2.gz AVNIPPQZQZSCFI-IOASZLSFSA-N 2 2 338.904 3.330 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765793510 1302329654 /nfs/dbraw/zinc/32/96/54/1302329654.db2.gz ZBEYAQWNPYOSPG-NUEKZKHPSA-N 2 2 338.879 3.253 20 0 EGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765793510 1302329664 /nfs/dbraw/zinc/32/96/64/1302329664.db2.gz ZBEYAQWNPYOSPG-NUEKZKHPSA-N 2 2 338.879 3.253 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766272496 1302418879 /nfs/dbraw/zinc/41/88/79/1302418879.db2.gz JIVVGJUQYZWFCG-JKSUJKDBSA-N 2 2 332.492 3.351 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766272496 1302418885 /nfs/dbraw/zinc/41/88/85/1302418885.db2.gz JIVVGJUQYZWFCG-JKSUJKDBSA-N 2 2 332.492 3.351 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cn1 ZINC000883388089 1302426510 /nfs/dbraw/zinc/42/65/10/1302426510.db2.gz LWYDAOSYBWPVAC-APWZRJJASA-N 2 2 336.439 3.249 20 0 EGADLP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc(OC)c1 ZINC000883398011 1302431665 /nfs/dbraw/zinc/43/16/65/1302431665.db2.gz BJBRPEZUQZSSHY-FQEVSTJZSA-N 2 2 337.423 3.431 20 0 EGADLP CN(C(=O)C(C)(C)C1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000766975420 1302555492 /nfs/dbraw/zinc/55/54/92/1302555492.db2.gz SXSMQHHYLHXPPL-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP CN(C(=O)C(C)(C)C1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000766975420 1302555503 /nfs/dbraw/zinc/55/55/03/1302555503.db2.gz SXSMQHHYLHXPPL-IBGZPJMESA-N 2 2 349.563 3.220 20 0 EGADLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc2c(c1)CCCO2 ZINC000768109642 1302826312 /nfs/dbraw/zinc/82/63/12/1302826312.db2.gz WVWDMQFXBRFKCK-IEBWSBKVSA-N 2 2 334.529 3.490 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000769544341 1303138063 /nfs/dbraw/zinc/13/80/63/1303138063.db2.gz VLQHUNCEGLLNEL-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000769544341 1303138068 /nfs/dbraw/zinc/13/80/68/1303138068.db2.gz VLQHUNCEGLLNEL-BRWVUGGUSA-N 2 2 339.524 3.096 20 0 EGADLP CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770396799 1303261458 /nfs/dbraw/zinc/26/14/58/1303261458.db2.gz QOTTVMPUWLERHP-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC000770418662 1303265754 /nfs/dbraw/zinc/26/57/54/1303265754.db2.gz UGMXTZXVXAWDIE-OAHLLOKOSA-N 2 2 336.439 3.194 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCc4cccnc43)[nH+]c2)CC1 ZINC000886576883 1303509463 /nfs/dbraw/zinc/50/94/63/1303509463.db2.gz RZLHWEPSKKMAGZ-SFHVURJKSA-N 2 2 337.471 3.106 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCc4cccnc43)[nH+]c2)CC1 ZINC000886576882 1303509795 /nfs/dbraw/zinc/50/97/95/1303509795.db2.gz RZLHWEPSKKMAGZ-GOSISDBHSA-N 2 2 337.471 3.106 20 0 EGADLP Cc1[nH]c(C2CC[NH+](CC(=O)N[C@@H](C)c3cccs3)CC2)[nH+]c1C ZINC000886671917 1303551748 /nfs/dbraw/zinc/55/17/48/1303551748.db2.gz GFPYVMZBHBHVSP-AWEZNQCLSA-N 2 2 346.500 3.145 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867942 1303619973 /nfs/dbraw/zinc/61/99/73/1303619973.db2.gz RIIUURRVBAQDDT-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867942 1303619979 /nfs/dbraw/zinc/61/99/79/1303619979.db2.gz RIIUURRVBAQDDT-XLIONFOSSA-N 2 2 329.488 3.096 20 0 EGADLP CC[NH+](CC)CCCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000782847931 1305015592 /nfs/dbraw/zinc/01/55/92/1305015592.db2.gz UYLWMRISCGIDTL-UHFFFAOYSA-N 2 2 342.487 3.309 20 0 EGADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)c(F)c1 ZINC000783031692 1305038697 /nfs/dbraw/zinc/03/86/97/1305038697.db2.gz VTLMCYRQOPAVSG-IBGZPJMESA-N 2 2 349.425 3.387 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000783974610 1305170165 /nfs/dbraw/zinc/17/01/65/1305170165.db2.gz JVIXOVINWGAELU-ZWKOTPCHSA-N 2 2 344.503 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000783974610 1305170168 /nfs/dbraw/zinc/17/01/68/1305170168.db2.gz JVIXOVINWGAELU-ZWKOTPCHSA-N 2 2 344.503 3.128 20 0 EGADLP COCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000892446493 1305376987 /nfs/dbraw/zinc/37/69/87/1305376987.db2.gz JFFHXYRJSTWJEG-UHFFFAOYSA-N 2 2 344.455 3.059 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cnn1C(C)C ZINC000786911523 1305654408 /nfs/dbraw/zinc/65/44/08/1305654408.db2.gz OSCPERGHXNYTQI-MAUKXSAKSA-N 2 2 334.508 3.066 20 0 EGADLP CC[N@H+](CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250580 1305908650 /nfs/dbraw/zinc/90/86/50/1305908650.db2.gz SJIZSTYBYUYPEA-IRXDYDNUSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@@H+](CC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250580 1305908657 /nfs/dbraw/zinc/90/86/57/1305908657.db2.gz SJIZSTYBYUYPEA-IRXDYDNUSA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788502196 1305956842 /nfs/dbraw/zinc/95/68/42/1305956842.db2.gz HHGXOFSYYFTJMD-GVDBMIGSSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000788502196 1305956849 /nfs/dbraw/zinc/95/68/49/1305956849.db2.gz HHGXOFSYYFTJMD-GVDBMIGSSA-N 2 2 339.524 3.096 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790529984 1306345190 /nfs/dbraw/zinc/34/51/90/1306345190.db2.gz OZVSNDDFZFYPPJ-QGZVFWFLSA-N 2 2 346.906 3.406 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790529984 1306345200 /nfs/dbraw/zinc/34/52/00/1306345200.db2.gz OZVSNDDFZFYPPJ-QGZVFWFLSA-N 2 2 346.906 3.406 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000894581959 1308964336 /nfs/dbraw/zinc/96/43/36/1308964336.db2.gz PRUQTGWRMCRZMN-UHFFFAOYSA-N 2 2 340.379 3.133 20 0 EGADLP COc1cccc2c(NC[C@H]3CC[N@@H+]3C3CCOCC3)c(C)c[nH+]c12 ZINC000896521816 1309900317 /nfs/dbraw/zinc/90/03/17/1309900317.db2.gz FVJUCAXOBYBRPL-MRXNPFEDSA-N 2 2 341.455 3.217 20 0 EGADLP COc1cccc2c(NC[C@H]3CC[N@H+]3C3CCOCC3)c(C)c[nH+]c12 ZINC000896521816 1309900321 /nfs/dbraw/zinc/90/03/21/1309900321.db2.gz FVJUCAXOBYBRPL-MRXNPFEDSA-N 2 2 341.455 3.217 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000796264093 1309946641 /nfs/dbraw/zinc/94/66/41/1309946641.db2.gz PZEXODHEWIHHJT-NSHDSACASA-N 2 2 339.270 3.215 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000796264093 1309946646 /nfs/dbraw/zinc/94/66/46/1309946646.db2.gz PZEXODHEWIHHJT-NSHDSACASA-N 2 2 339.270 3.215 20 0 EGADLP OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218716 1310226299 /nfs/dbraw/zinc/22/62/99/1310226299.db2.gz FVSNVAKOMPXENI-ZWKOTPCHSA-N 2 2 349.837 3.063 20 0 EGADLP OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000897218716 1310226304 /nfs/dbraw/zinc/22/63/04/1310226304.db2.gz FVSNVAKOMPXENI-ZWKOTPCHSA-N 2 2 349.837 3.063 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccccc2C(F)(F)F)CC1 ZINC000897330473 1310293267 /nfs/dbraw/zinc/29/32/67/1310293267.db2.gz CXIWABDEMJHYNC-MRXNPFEDSA-N 2 2 330.394 3.203 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000798498739 1310373295 /nfs/dbraw/zinc/37/32/95/1310373295.db2.gz YWSFFIIIDDATIT-OAQYLSRUSA-N 2 2 339.483 3.482 20 0 EGADLP CCOc1cccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000798498739 1310373299 /nfs/dbraw/zinc/37/32/99/1310373299.db2.gz YWSFFIIIDDATIT-OAQYLSRUSA-N 2 2 339.483 3.482 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000798958060 1310463746 /nfs/dbraw/zinc/46/37/46/1310463746.db2.gz LDVNQLGSTPBQFZ-UHFFFAOYSA-N 2 2 335.517 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000798958060 1310463750 /nfs/dbraw/zinc/46/37/50/1310463750.db2.gz LDVNQLGSTPBQFZ-UHFFFAOYSA-N 2 2 335.517 3.378 20 0 EGADLP CO[C@@H]([C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC1 ZINC000825098860 1320309452 /nfs/dbraw/zinc/30/94/52/1320309452.db2.gz PEVDOZNPJDALAW-QRWLVFNGSA-N 2 2 331.504 3.125 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001019040323 1317017780 /nfs/dbraw/zinc/01/77/80/1317017780.db2.gz VPPDFIACSDANBF-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP COc1ccc([C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)[C@@H]2CCC[NH2+]2)cc1 ZINC000902436141 1317577982 /nfs/dbraw/zinc/57/79/82/1317577982.db2.gz XMAMFUGQBPTKQS-KNTRFNDTSA-N 2 2 332.488 3.019 20 0 EGADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000902439367 1317579110 /nfs/dbraw/zinc/57/91/10/1317579110.db2.gz RFCCFHSZBKHIDA-GBWCEYSQSA-N 2 2 347.462 3.033 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCC2CCCC2)CC1)c1ccccc1 ZINC000957790374 1317645523 /nfs/dbraw/zinc/64/55/23/1317645523.db2.gz STSMRYJAOQRMJP-HXUWFJFHSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245713 1317681263 /nfs/dbraw/zinc/68/12/63/1317681263.db2.gz OLCVHUFMSWQDAG-YLJYHZDGSA-N 2 2 345.531 3.334 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)C1CCOCC1 ZINC000903245713 1317681266 /nfs/dbraw/zinc/68/12/66/1317681266.db2.gz OLCVHUFMSWQDAG-YLJYHZDGSA-N 2 2 345.531 3.334 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc(F)cc3)no2)CCC1 ZINC000903815908 1317738176 /nfs/dbraw/zinc/73/81/76/1317738176.db2.gz URSGWWCNWFSNIP-INIZCTEOSA-N 2 2 344.434 3.359 20 0 EGADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccc(F)cc3)no2)CCC1 ZINC000903815908 1317738179 /nfs/dbraw/zinc/73/81/79/1317738179.db2.gz URSGWWCNWFSNIP-INIZCTEOSA-N 2 2 344.434 3.359 20 0 EGADLP COc1ccc(C[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)C2CC2)c(OC)c1 ZINC000903910195 1317747860 /nfs/dbraw/zinc/74/78/60/1317747860.db2.gz KIZHWTYPKNBXIH-DOMZBBRYSA-N 2 2 342.430 3.287 20 0 EGADLP COc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H](C)C2CC2)c(OC)c1 ZINC000903910195 1317747862 /nfs/dbraw/zinc/74/78/62/1317747862.db2.gz KIZHWTYPKNBXIH-DOMZBBRYSA-N 2 2 342.430 3.287 20 0 EGADLP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974368 1317759425 /nfs/dbraw/zinc/75/94/25/1317759425.db2.gz UJPYQTRSVDRRAF-INIZCTEOSA-N 2 2 342.405 3.262 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858246214 1328721433 /nfs/dbraw/zinc/72/14/33/1328721433.db2.gz XXDDFWMIKQLIKQ-HNNXBMFYSA-N 2 2 347.894 3.051 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000858246214 1328721437 /nfs/dbraw/zinc/72/14/37/1328721437.db2.gz XXDDFWMIKQLIKQ-HNNXBMFYSA-N 2 2 347.894 3.051 20 0 EGADLP C[C@@H](O)c1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000809749307 1317890024 /nfs/dbraw/zinc/89/00/24/1317890024.db2.gz MIASTJBJOATNBV-CQSZACIVSA-N 2 2 334.489 3.085 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929990972 1328758802 /nfs/dbraw/zinc/75/88/02/1328758802.db2.gz DFOMRKIOPIKLLE-QZTJIDSGSA-N 2 2 341.455 3.154 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929990972 1328758806 /nfs/dbraw/zinc/75/88/06/1328758806.db2.gz DFOMRKIOPIKLLE-QZTJIDSGSA-N 2 2 341.455 3.154 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)c(C)[nH+]1 ZINC001022463074 1318951572 /nfs/dbraw/zinc/95/15/72/1318951572.db2.gz ZOBQNXLWYNRBOQ-IYBDPMFKSA-N 2 2 329.469 3.119 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910018 1319056687 /nfs/dbraw/zinc/05/66/87/1319056687.db2.gz IVOXGTCTCJFHPY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910018 1319056692 /nfs/dbraw/zinc/05/66/92/1319056692.db2.gz IVOXGTCTCJFHPY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960910018 1319056699 /nfs/dbraw/zinc/05/66/99/1319056699.db2.gz IVOXGTCTCJFHPY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960910018 1319056708 /nfs/dbraw/zinc/05/67/08/1319056708.db2.gz IVOXGTCTCJFHPY-APWZRJJASA-N 2 2 344.503 3.012 20 0 EGADLP COC(OC)c1ccc(F)c(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000818203940 1319516017 /nfs/dbraw/zinc/51/60/17/1319516017.db2.gz NIXCNRRCHMNLJO-OAHLLOKOSA-N 2 2 338.467 3.471 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433218 1319586523 /nfs/dbraw/zinc/58/65/23/1319586523.db2.gz UZAPMNXIVZDYGN-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433218 1319586531 /nfs/dbraw/zinc/58/65/31/1319586531.db2.gz UZAPMNXIVZDYGN-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433980 1319587834 /nfs/dbraw/zinc/58/78/34/1319587834.db2.gz XQAHCTRNUIQMTJ-KRWDZBQOSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000961433980 1319587839 /nfs/dbraw/zinc/58/78/39/1319587839.db2.gz XQAHCTRNUIQMTJ-KRWDZBQOSA-N 2 2 346.519 3.046 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819078247 1319629331 /nfs/dbraw/zinc/62/93/31/1319629331.db2.gz HFQKMAZVRXAKAP-HOCLYGCPSA-N 2 2 346.393 3.083 20 0 EGADLP O[C@@H](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000839554171 1320937005 /nfs/dbraw/zinc/93/70/05/1320937005.db2.gz ZCSBQGUOYCRHQP-FQEVSTJZSA-N 2 2 327.472 3.499 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747939 1321140455 /nfs/dbraw/zinc/14/04/55/1321140455.db2.gz BWHDWFZXUSVPPM-LAUBAEHRSA-N 2 2 338.499 3.392 20 0 EGADLP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000840747939 1321140458 /nfs/dbraw/zinc/14/04/58/1321140458.db2.gz BWHDWFZXUSVPPM-LAUBAEHRSA-N 2 2 338.499 3.392 20 0 EGADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000841037911 1321207041 /nfs/dbraw/zinc/20/70/41/1321207041.db2.gz RLHZRPPBMINAER-BZUAXINKSA-N 2 2 340.414 3.033 20 0 EGADLP CC(C)[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[C@H](C)[NH3+] ZINC000841823820 1321319910 /nfs/dbraw/zinc/31/99/10/1321319910.db2.gz HGBCBLQJRVRURO-BBRMVZONSA-N 2 2 325.416 3.068 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842477650 1321394236 /nfs/dbraw/zinc/39/42/36/1321394236.db2.gz CIAZSTYFSUPJNK-RKVPGOIHSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842477650 1321394241 /nfs/dbraw/zinc/39/42/41/1321394241.db2.gz CIAZSTYFSUPJNK-RKVPGOIHSA-N 2 2 325.456 3.084 20 0 EGADLP C[C@H](C[NH2+]Cc1cc(Br)cnc1Cl)Cn1cc[nH+]c1 ZINC000842674659 1321416700 /nfs/dbraw/zinc/41/67/00/1321416700.db2.gz YHPGJFSGBPRYDF-SNVBAGLBSA-N 2 2 343.656 3.120 20 0 EGADLP CC(C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000849062237 1322063067 /nfs/dbraw/zinc/06/30/67/1322063067.db2.gz WWWSGLMZHLNXPQ-QGZVFWFLSA-N 2 2 342.512 3.370 20 0 EGADLP CC(C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000849062237 1322063075 /nfs/dbraw/zinc/06/30/75/1322063075.db2.gz WWWSGLMZHLNXPQ-QGZVFWFLSA-N 2 2 342.512 3.370 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751425 1322391894 /nfs/dbraw/zinc/39/18/94/1322391894.db2.gz XGSPRYRHOXLBLV-UZLBHIALSA-N 2 2 337.467 3.017 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751425 1322391900 /nfs/dbraw/zinc/39/19/00/1322391900.db2.gz XGSPRYRHOXLBLV-UZLBHIALSA-N 2 2 337.467 3.017 20 0 EGADLP O=C(CCCC[NH+]1CCCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000922662240 1322583261 /nfs/dbraw/zinc/58/32/61/1322583261.db2.gz HQAJBEUESMPSOX-IBGZPJMESA-N 2 2 340.471 3.007 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000931136754 1329057612 /nfs/dbraw/zinc/05/76/12/1329057612.db2.gz RWNUKJXUIOTOKJ-IIAWOOMASA-N 2 2 326.444 3.040 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730232 1323136943 /nfs/dbraw/zinc/13/69/43/1323136943.db2.gz MGGZLYTYBZJZKQ-INIZCTEOSA-N 2 2 341.503 3.430 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1cnn(C)n1 ZINC000924730232 1323136949 /nfs/dbraw/zinc/13/69/49/1323136949.db2.gz MGGZLYTYBZJZKQ-INIZCTEOSA-N 2 2 341.503 3.430 20 0 EGADLP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024441064 1323403669 /nfs/dbraw/zinc/40/36/69/1323403669.db2.gz YGVNAFMZVGPLPJ-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001024441064 1323403673 /nfs/dbraw/zinc/40/36/73/1323403673.db2.gz YGVNAFMZVGPLPJ-GOSISDBHSA-N 2 2 340.471 3.193 20 0 EGADLP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510533 1323457737 /nfs/dbraw/zinc/45/77/37/1323457737.db2.gz PORFXYWDGRGXBA-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001024510533 1323457739 /nfs/dbraw/zinc/45/77/39/1323457739.db2.gz PORFXYWDGRGXBA-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255182 1324061862 /nfs/dbraw/zinc/06/18/62/1324061862.db2.gz OHJBKBQACUATKT-OALUTQOASA-N 2 2 344.503 3.085 20 0 EGADLP CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001025255182 1324061865 /nfs/dbraw/zinc/06/18/65/1324061865.db2.gz OHJBKBQACUATKT-OALUTQOASA-N 2 2 344.503 3.085 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](CC(C)C)C3)ccn12 ZINC001025423645 1324255863 /nfs/dbraw/zinc/25/58/63/1324255863.db2.gz SUYYVYDXWGZSSJ-SJLPKXTDSA-N 2 2 342.487 3.129 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](CC(C)C)C3)ccn12 ZINC001025423645 1324255868 /nfs/dbraw/zinc/25/58/68/1324255868.db2.gz SUYYVYDXWGZSSJ-SJLPKXTDSA-N 2 2 342.487 3.129 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459349 1324302698 /nfs/dbraw/zinc/30/26/98/1324302698.db2.gz MHMLAZXFOBIIOD-CVEARBPZSA-N 2 2 342.487 3.439 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001025459349 1324302702 /nfs/dbraw/zinc/30/27/02/1324302702.db2.gz MHMLAZXFOBIIOD-CVEARBPZSA-N 2 2 342.487 3.439 20 0 EGADLP COc1cc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000925276666 1325110463 /nfs/dbraw/zinc/11/04/63/1325110463.db2.gz AAJZMBYCRJPLPG-JYJNAYRXSA-N 2 2 343.471 3.490 20 0 EGADLP [NH3+][C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C12CCC2 ZINC000925512972 1325186015 /nfs/dbraw/zinc/18/60/15/1325186015.db2.gz GOLJJFGJUXWVSN-MSOLQXFVSA-N 2 2 333.907 3.164 20 0 EGADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCC1CC[NH+](CC2CC2)CC1 ZINC000853984538 1325197178 /nfs/dbraw/zinc/19/71/78/1325197178.db2.gz IVNIIGMGSUJRCY-UHFFFAOYSA-N 2 2 342.491 3.115 20 0 EGADLP O=C(Nc1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1)c1ccccc1 ZINC000925625422 1325236019 /nfs/dbraw/zinc/23/60/19/1325236019.db2.gz HQYSCZLNINQNIU-GBMAXXPESA-N 2 2 347.462 3.025 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790681 1325301587 /nfs/dbraw/zinc/30/15/87/1325301587.db2.gz HTFGXNHCVPHXTL-BEFAXECRSA-N 2 2 344.499 3.166 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000926112148 1325432242 /nfs/dbraw/zinc/43/22/42/1325432242.db2.gz MXLWUOTUBSCMDP-HLLBOEOZSA-N 2 2 329.444 3.244 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000926112148 1325432249 /nfs/dbraw/zinc/43/22/49/1325432249.db2.gz MXLWUOTUBSCMDP-HLLBOEOZSA-N 2 2 329.444 3.244 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883091 1328350080 /nfs/dbraw/zinc/35/00/80/1328350080.db2.gz FBZRCSWKLJWVSG-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001027883091 1328350085 /nfs/dbraw/zinc/35/00/85/1328350085.db2.gz FBZRCSWKLJWVSG-SFHVURJKSA-N 2 2 342.487 3.273 20 0 EGADLP COc1cccc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)oc21 ZINC000863646041 1329570211 /nfs/dbraw/zinc/57/02/11/1329570211.db2.gz PJNCSGHDLMLUSW-OCCSQVGLSA-N 2 2 342.361 3.401 20 0 EGADLP COc1cccc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)oc21 ZINC000863646041 1329570213 /nfs/dbraw/zinc/57/02/13/1329570213.db2.gz PJNCSGHDLMLUSW-OCCSQVGLSA-N 2 2 342.361 3.401 20 0 EGADLP COc1cccc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)oc21 ZINC000863646028 1329570360 /nfs/dbraw/zinc/57/03/60/1329570360.db2.gz PJNCSGHDLMLUSW-GXTWGEPZSA-N 2 2 342.361 3.401 20 0 EGADLP COc1cccc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)oc21 ZINC000863646028 1329570362 /nfs/dbraw/zinc/57/03/62/1329570362.db2.gz PJNCSGHDLMLUSW-GXTWGEPZSA-N 2 2 342.361 3.401 20 0 EGADLP CC(C)CC[C@@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000863660587 1329571466 /nfs/dbraw/zinc/57/14/66/1329571466.db2.gz ZEANPAFJDBDVFT-MRXNPFEDSA-N 2 2 325.416 3.417 20 0 EGADLP CCCCNc1cc(C)[nH+]c(N2CCC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000865731339 1329733643 /nfs/dbraw/zinc/73/36/43/1329733643.db2.gz KVTDDEBLAZQFCN-HNNXBMFYSA-N 2 2 328.464 3.115 20 0 EGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(Cl)cncc2Cl)CC1 ZINC000866667038 1330139718 /nfs/dbraw/zinc/13/97/18/1330139718.db2.gz ZDIYRIVRUCENEL-CVEARBPZSA-N 2 2 344.286 3.107 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839804 1331215073 /nfs/dbraw/zinc/21/50/73/1331215073.db2.gz PLWVQLWPFVZEFY-KRWDZBQOSA-N 2 2 328.460 3.193 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940839804 1331215076 /nfs/dbraw/zinc/21/50/76/1331215076.db2.gz PLWVQLWPFVZEFY-KRWDZBQOSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC1CCCC1 ZINC000947450014 1333132394 /nfs/dbraw/zinc/13/23/94/1333132394.db2.gz MOMFGPRTNWWDNJ-YOEHRIQHSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC1CCCC1 ZINC000947450014 1333132396 /nfs/dbraw/zinc/13/23/96/1333132396.db2.gz MOMFGPRTNWWDNJ-YOEHRIQHSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CC1CCCC1 ZINC000947539692 1333164289 /nfs/dbraw/zinc/16/42/89/1333164289.db2.gz GGEQFQMKVKMHPA-DOTOQJQBSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CC1CCCC1 ZINC000947539692 1333164292 /nfs/dbraw/zinc/16/42/92/1333164292.db2.gz GGEQFQMKVKMHPA-DOTOQJQBSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000947757910 1333253533 /nfs/dbraw/zinc/25/35/33/1333253533.db2.gz HFIMPTNZVGKXMY-DOTOQJQBSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CC1CCC(C)(C)CC1 ZINC000947757910 1333253534 /nfs/dbraw/zinc/25/35/34/1333253534.db2.gz HFIMPTNZVGKXMY-DOTOQJQBSA-N 2 2 346.519 3.138 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372391 1333498899 /nfs/dbraw/zinc/49/88/99/1333498899.db2.gz DEPDTOAWEBKVIB-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000948372391 1333498902 /nfs/dbraw/zinc/49/89/02/1333498902.db2.gz DEPDTOAWEBKVIB-GOSISDBHSA-N 2 2 342.487 3.369 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948615795 1333597570 /nfs/dbraw/zinc/59/75/70/1333597570.db2.gz CCNCXNQIGGCCDI-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP CN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948615795 1333597574 /nfs/dbraw/zinc/59/75/74/1333597574.db2.gz CCNCXNQIGGCCDI-KRWDZBQOSA-N 2 2 340.471 3.061 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812747 1333692940 /nfs/dbraw/zinc/69/29/40/1333692940.db2.gz NBDJRSQFRUNHAU-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812747 1333692942 /nfs/dbraw/zinc/69/29/42/1333692942.db2.gz NBDJRSQFRUNHAU-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP O=C(c1ccn2c[nH+]cc2c1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000949117693 1333780408 /nfs/dbraw/zinc/78/04/08/1333780408.db2.gz GABMBKICUWQCKK-UHFFFAOYSA-N 2 2 340.471 3.063 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CC4CCCCC4)C3)ccn12 ZINC000968670707 1336004104 /nfs/dbraw/zinc/00/41/04/1336004104.db2.gz PWUNHIQBMUMUFW-GOSISDBHSA-N 2 2 340.471 3.027 20 0 EGADLP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969100777 1336142483 /nfs/dbraw/zinc/14/24/83/1336142483.db2.gz HWFWTEKLKFKTEK-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000969100777 1336142485 /nfs/dbraw/zinc/14/24/85/1336142485.db2.gz HWFWTEKLKFKTEK-LJQANCHMSA-N 2 2 340.471 3.257 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318504 1370719525 /nfs/dbraw/zinc/71/95/25/1370719525.db2.gz VJAPDRZAGLZYSM-CMPLNLGQSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(F)cc(Br)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205318504 1370719529 /nfs/dbraw/zinc/71/95/29/1370719529.db2.gz VJAPDRZAGLZYSM-CMPLNLGQSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1O ZINC001205915277 1370909698 /nfs/dbraw/zinc/90/96/98/1370909698.db2.gz PASQZNDSGUXXFF-VXGBXAGGSA-N 2 2 327.266 3.022 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1O ZINC001205915277 1370909700 /nfs/dbraw/zinc/90/97/00/1370909700.db2.gz PASQZNDSGUXXFF-VXGBXAGGSA-N 2 2 327.266 3.022 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072825 1336963556 /nfs/dbraw/zinc/96/35/56/1336963556.db2.gz KAHGRWDRSMVDLD-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001009072825 1336963558 /nfs/dbraw/zinc/96/35/58/1336963558.db2.gz KAHGRWDRSMVDLD-FUHWJXTLSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513460 1337033175 /nfs/dbraw/zinc/03/31/75/1337033175.db2.gz GDWKISRGEITGJU-CRAIPNDOSA-N 2 2 349.906 3.077 20 0 EGADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009513460 1337033176 /nfs/dbraw/zinc/03/31/76/1337033176.db2.gz GDWKISRGEITGJU-CRAIPNDOSA-N 2 2 349.906 3.077 20 0 EGADLP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001016687467 1338690497 /nfs/dbraw/zinc/69/04/97/1338690497.db2.gz ISOXVDSNTMFHAX-SFHVURJKSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H]2CC23CC[NH+](CC2CC2)CC3)c(C)[nH+]1 ZINC001016741958 1338708725 /nfs/dbraw/zinc/70/87/25/1338708725.db2.gz GHKIKZRFDVGLFV-QGZVFWFLSA-N 2 2 327.472 3.001 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239330 1340500035 /nfs/dbraw/zinc/50/00/35/1340500035.db2.gz KDGMAEUSHRDMIZ-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001028239330 1340500039 /nfs/dbraw/zinc/50/00/39/1340500039.db2.gz KDGMAEUSHRDMIZ-QFBILLFUSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001029495846 1341000561 /nfs/dbraw/zinc/00/05/61/1341000561.db2.gz VAWZNZONJQDDFP-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)n1cc[nH+]c1 ZINC001029495846 1341000563 /nfs/dbraw/zinc/00/05/63/1341000563.db2.gz VAWZNZONJQDDFP-QRQLOZEOSA-N 2 2 344.503 3.090 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001030001185 1341152742 /nfs/dbraw/zinc/15/27/42/1341152742.db2.gz QRDIJPWZBZRVEY-TVRKMHQQSA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](CC(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001030001185 1341152744 /nfs/dbraw/zinc/15/27/44/1341152744.db2.gz QRDIJPWZBZRVEY-TVRKMHQQSA-N 2 2 346.519 3.051 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001030400742 1341184714 /nfs/dbraw/zinc/18/47/14/1341184714.db2.gz DNUKTEPHMBBSGC-YLJYHZDGSA-N 2 2 343.515 3.039 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001030400742 1341184715 /nfs/dbraw/zinc/18/47/15/1341184715.db2.gz DNUKTEPHMBBSGC-YLJYHZDGSA-N 2 2 343.515 3.039 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477809 1341519752 /nfs/dbraw/zinc/51/97/52/1341519752.db2.gz SKCDFJWCDVMUSX-WBAXXEDZSA-N 2 2 346.434 3.223 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477809 1341519754 /nfs/dbraw/zinc/51/97/54/1341519754.db2.gz SKCDFJWCDVMUSX-WBAXXEDZSA-N 2 2 346.434 3.223 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477807 1341519854 /nfs/dbraw/zinc/51/98/54/1341519854.db2.gz SKCDFJWCDVMUSX-JLSDUUJJSA-N 2 2 346.434 3.223 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001032477807 1341519855 /nfs/dbraw/zinc/51/98/55/1341519855.db2.gz SKCDFJWCDVMUSX-JLSDUUJJSA-N 2 2 346.434 3.223 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001033874301 1342052707 /nfs/dbraw/zinc/05/27/07/1342052707.db2.gz VZSCOQHTJBCBFY-VMBOVVBDSA-N 2 2 340.471 3.145 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001033874301 1342052708 /nfs/dbraw/zinc/05/27/08/1342052708.db2.gz VZSCOQHTJBCBFY-VMBOVVBDSA-N 2 2 340.471 3.145 20 0 EGADLP O=C(N[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034272515 1342363724 /nfs/dbraw/zinc/36/37/24/1342363724.db2.gz UKWCEGIDJCIKDZ-GOSISDBHSA-N 2 2 348.450 3.347 20 0 EGADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034272515 1342363726 /nfs/dbraw/zinc/36/37/26/1342363726.db2.gz UKWCEGIDJCIKDZ-GOSISDBHSA-N 2 2 348.450 3.347 20 0 EGADLP CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549652 1342612897 /nfs/dbraw/zinc/61/28/97/1342612897.db2.gz MIEXJPPNTFQFJT-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP CC[C@H](c1ccccc1)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549652 1342612902 /nfs/dbraw/zinc/61/29/02/1342612902.db2.gz MIEXJPPNTFQFJT-RTBURBONSA-N 2 2 340.471 3.005 20 0 EGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001034761960 1342742432 /nfs/dbraw/zinc/74/24/32/1342742432.db2.gz VSUCOFQDTYDFHW-SZMVWBNQSA-N 2 2 340.471 3.039 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001034991512 1342866523 /nfs/dbraw/zinc/86/65/23/1342866523.db2.gz ZAYLMFSDTKRVCQ-QGZVFWFLSA-N 2 2 338.455 3.029 20 0 EGADLP CCCC[NH+]1CC2(C1)CCN(C(=O)c1c(C)cc(C)[nH+]c1C)CC2 ZINC001035752863 1343171358 /nfs/dbraw/zinc/17/13/58/1343171358.db2.gz HQRZTMBLYOSIFU-UHFFFAOYSA-N 2 2 329.488 3.345 20 0 EGADLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC1CCCCCC1 ZINC001036579599 1343563432 /nfs/dbraw/zinc/56/34/32/1343563432.db2.gz PGTBKRIWKUZMMA-APWZRJJASA-N 2 2 346.519 3.139 20 0 EGADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001037830466 1344123757 /nfs/dbraw/zinc/12/37/57/1344123757.db2.gz VEKXXUMNAVXEMG-ROUUACIJSA-N 2 2 346.519 3.139 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039138825 1344818849 /nfs/dbraw/zinc/81/88/49/1344818849.db2.gz ZVQYESNJMWZNLD-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP CCC[N@H+]1CC[C@@H](C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001039138825 1344818852 /nfs/dbraw/zinc/81/88/52/1344818852.db2.gz ZVQYESNJMWZNLD-MRXNPFEDSA-N 2 2 340.471 3.147 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236808 1344958716 /nfs/dbraw/zinc/95/87/16/1344958716.db2.gz CUTIFAJZCMRXKE-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039236808 1344958718 /nfs/dbraw/zinc/95/87/18/1344958718.db2.gz CUTIFAJZCMRXKE-IAGOWNOFSA-N 2 2 346.519 3.091 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001039682260 1345157998 /nfs/dbraw/zinc/15/79/98/1345157998.db2.gz MBDLOKVJPCIUHW-CALCHBBNSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039682260 1345157999 /nfs/dbraw/zinc/15/79/99/1345157999.db2.gz MBDLOKVJPCIUHW-CALCHBBNSA-N 2 2 338.455 3.042 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232795 1346155829 /nfs/dbraw/zinc/15/58/29/1346155829.db2.gz VSTQTDZCFRKWTF-MRXNPFEDSA-N 2 2 348.450 3.160 20 0 EGADLP C[C@@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001044189976 1346269603 /nfs/dbraw/zinc/26/96/03/1346269603.db2.gz QNVGZFNELOWGNX-CVEARBPZSA-N 2 2 346.519 3.046 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC001044678821 1346401765 /nfs/dbraw/zinc/40/17/65/1346401765.db2.gz ZFGPGYVVJRCNQB-NVXWUHKLSA-N 2 2 340.471 3.107 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044876719 1346452571 /nfs/dbraw/zinc/45/25/71/1346452571.db2.gz BTMFPKOAMLZZKF-WMZOPIPTSA-N 2 2 346.519 3.069 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3(C)CC[NH+](CC4CCC4)CC3)ccn12 ZINC001045439611 1346594704 /nfs/dbraw/zinc/59/47/04/1346594704.db2.gz QFRZLBIAOXJTAQ-UHFFFAOYSA-N 2 2 340.471 3.027 20 0 EGADLP CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969837 1346805854 /nfs/dbraw/zinc/80/58/54/1346805854.db2.gz ZZDNXGJBYCYTGA-UYAOXDASSA-N 2 2 346.519 3.339 20 0 EGADLP CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001045969837 1346805856 /nfs/dbraw/zinc/80/58/56/1346805856.db2.gz ZZDNXGJBYCYTGA-UYAOXDASSA-N 2 2 346.519 3.339 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001046420301 1346969859 /nfs/dbraw/zinc/96/98/59/1346969859.db2.gz CWEXGSOOZJJTQG-NRFANRHFSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001046420301 1346969862 /nfs/dbraw/zinc/96/98/62/1346969862.db2.gz CWEXGSOOZJJTQG-NRFANRHFSA-N 2 2 348.450 3.266 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 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C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100747514 1364246037 /nfs/dbraw/zinc/24/60/37/1364246037.db2.gz QAKKLAJQNSXHFG-ZLPCBKJTSA-N 2 2 346.519 3.043 20 0 EGADLP CC[NH2+]CC(C)(C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001101557983 1364618604 /nfs/dbraw/zinc/61/86/04/1364618604.db2.gz PSKGCJHRECTCRN-UHFFFAOYSA-N 2 2 331.504 3.495 20 0 EGADLP CC(C)(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001101598540 1364648904 /nfs/dbraw/zinc/64/89/04/1364648904.db2.gz SYGNEVZWAMIFJQ-UHFFFAOYSA-N 2 2 348.535 3.174 20 0 EGADLP CC/C=C/CC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088180 1364848147 /nfs/dbraw/zinc/84/81/47/1364848147.db2.gz QLTWWXQTUJGJOO-GWOVIKRFSA-N 2 2 340.471 3.217 20 0 EGADLP CC/C=C/CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C)C1 ZINC001102088180 1364848148 /nfs/dbraw/zinc/84/81/48/1364848148.db2.gz QLTWWXQTUJGJOO-GWOVIKRFSA-N 2 2 340.471 3.217 20 0 EGADLP CCC/C=C\CC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414827 1365045368 /nfs/dbraw/zinc/04/53/68/1365045368.db2.gz QIADVVABKPYGAA-QRTFGMIHSA-N 2 2 346.519 3.265 20 0 EGADLP CCC/C=C\CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102414827 1365045372 /nfs/dbraw/zinc/04/53/72/1365045372.db2.gz QIADVVABKPYGAA-QRTFGMIHSA-N 2 2 346.519 3.265 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2C)c(C)[nH+]1 ZINC001103255379 1365459303 /nfs/dbraw/zinc/45/93/03/1365459303.db2.gz XUSHOHQKMUCEFO-CTOCQWKHSA-N 2 2 349.906 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2C)c(C)[nH+]1 ZINC001103255379 1365459305 /nfs/dbraw/zinc/45/93/05/1365459305.db2.gz XUSHOHQKMUCEFO-CTOCQWKHSA-N 2 2 349.906 3.447 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517161 1365608217 /nfs/dbraw/zinc/60/82/17/1365608217.db2.gz ATMDTAWAXJWZOQ-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001103517161 1365608221 /nfs/dbraw/zinc/60/82/21/1365608221.db2.gz ATMDTAWAXJWZOQ-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517161 1365608222 /nfs/dbraw/zinc/60/82/22/1365608222.db2.gz ATMDTAWAXJWZOQ-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001103517161 1365608228 /nfs/dbraw/zinc/60/82/28/1365608228.db2.gz ATMDTAWAXJWZOQ-KZNAEPCWSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517473 1365608624 /nfs/dbraw/zinc/60/86/24/1365608624.db2.gz ONMACAXKCWVAMN-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517473 1365608626 /nfs/dbraw/zinc/60/86/26/1365608626.db2.gz ONMACAXKCWVAMN-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517473 1365608627 /nfs/dbraw/zinc/60/86/27/1365608627.db2.gz ONMACAXKCWVAMN-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001103517473 1365608629 /nfs/dbraw/zinc/60/86/29/1365608629.db2.gz ONMACAXKCWVAMN-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001324762110 1387762745 /nfs/dbraw/zinc/76/27/45/1387762745.db2.gz GFHKEHABJDRRCD-HXUWFJFHSA-N 2 2 329.488 3.249 20 0 EGADLP CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345910 1365982577 /nfs/dbraw/zinc/98/25/77/1365982577.db2.gz ZWEYTXRSWTZPAM-JFIYKMOQSA-N 2 2 348.535 3.047 20 0 EGADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001185787887 1387799155 /nfs/dbraw/zinc/79/91/55/1387799155.db2.gz JGIXFDYBFLWNEP-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001106455319 1366701286 /nfs/dbraw/zinc/70/12/86/1366701286.db2.gz MRKVRBZTTHNPGO-XYPHTWIQSA-N 2 2 335.467 3.053 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106874429 1366821196 /nfs/dbraw/zinc/82/11/96/1366821196.db2.gz HYKIQEOXFDQLHG-HZPDHXFCSA-N 2 2 348.535 3.198 20 0 EGADLP CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440501 1367121789 /nfs/dbraw/zinc/12/17/89/1367121789.db2.gz XQKQRBIRYDMYOP-JACAYTRUSA-N 2 2 344.503 3.004 20 0 EGADLP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001109440501 1367121790 /nfs/dbraw/zinc/12/17/90/1367121790.db2.gz XQKQRBIRYDMYOP-JACAYTRUSA-N 2 2 344.503 3.004 20 0 EGADLP CC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932847 1367386169 /nfs/dbraw/zinc/38/61/69/1367386169.db2.gz DQEDBNSIMVCTKC-YIEVGGLXSA-N 2 2 326.444 3.066 20 0 EGADLP CC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190932847 1367386174 /nfs/dbraw/zinc/38/61/74/1367386174.db2.gz DQEDBNSIMVCTKC-YIEVGGLXSA-N 2 2 326.444 3.066 20 0 EGADLP C[N@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191319768 1367475943 /nfs/dbraw/zinc/47/59/43/1367475943.db2.gz JWLVAUNVUWQFPJ-INIZCTEOSA-N 2 2 342.487 3.307 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191319768 1367475947 /nfs/dbraw/zinc/47/59/47/1367475947.db2.gz JWLVAUNVUWQFPJ-INIZCTEOSA-N 2 2 342.487 3.307 20 0 EGADLP CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699311 1367937600 /nfs/dbraw/zinc/93/76/00/1367937600.db2.gz LFPJAOYWVCSYSJ-AKHDSKFASA-N 2 2 346.519 3.238 20 0 EGADLP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001110699311 1367937603 /nfs/dbraw/zinc/93/76/03/1367937603.db2.gz LFPJAOYWVCSYSJ-AKHDSKFASA-N 2 2 346.519 3.238 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128028 1368161783 /nfs/dbraw/zinc/16/17/83/1368161783.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128028 1368161787 /nfs/dbraw/zinc/16/17/87/1368161787.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001111128028 1368161789 /nfs/dbraw/zinc/16/17/89/1368161789.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001111128028 1368161792 /nfs/dbraw/zinc/16/17/92/1368161792.db2.gz RNYKREOFKAEUKS-HPBDAGMYSA-N 2 2 346.519 3.136 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC001195403941 1368432457 /nfs/dbraw/zinc/43/24/57/1368432457.db2.gz OFTISKWUQAMDIU-JOCHJYFZSA-N 2 2 347.462 3.447 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC001195403941 1368432459 /nfs/dbraw/zinc/43/24/59/1368432459.db2.gz OFTISKWUQAMDIU-JOCHJYFZSA-N 2 2 347.462 3.447 20 0 EGADLP CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196242500 1368574883 /nfs/dbraw/zinc/57/48/83/1368574883.db2.gz KAYJYWBBGAWGPN-VOFKWLDRSA-N 2 2 346.519 3.361 20 0 EGADLP CC(C)CCC[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001112909374 1369086062 /nfs/dbraw/zinc/08/60/62/1369086062.db2.gz POUCYJVIKFEYCW-UHFFFAOYSA-N 2 2 337.533 3.004 20 0 EGADLP C[NH+]1CCC(COc2ccc(Nc3ccc(N)[nH+]c3)cc2F)CC1 ZINC001201294712 1369512316 /nfs/dbraw/zinc/51/23/16/1369512316.db2.gz GNEQEEXJSLNQGI-UHFFFAOYSA-N 2 2 330.407 3.267 20 0 EGADLP CC(C)=CC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001201863923 1369636223 /nfs/dbraw/zinc/63/62/23/1369636223.db2.gz JSGJCGXPSNKKOV-UHFFFAOYSA-N 2 2 338.455 3.033 20 0 EGADLP C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)O1 ZINC001202690726 1369852858 /nfs/dbraw/zinc/85/28/58/1369852858.db2.gz CLFTXIKCPJNKMX-HOCLYGCPSA-N 2 2 349.862 3.273 20 0 EGADLP CN(CC[N@H+](C1CCCC1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001203001679 1369950665 /nfs/dbraw/zinc/95/06/65/1369950665.db2.gz HCRXFODZABJCBI-UHFFFAOYSA-N 2 2 339.524 3.192 20 0 EGADLP CN(CC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC001203001679 1369950668 /nfs/dbraw/zinc/95/06/68/1369950668.db2.gz HCRXFODZABJCBI-UHFFFAOYSA-N 2 2 339.524 3.192 20 0 EGADLP CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001203171425 1370009155 /nfs/dbraw/zinc/00/91/55/1370009155.db2.gz IJHXFYINALOTDM-MRXNPFEDSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)o1 ZINC001203292153 1370065418 /nfs/dbraw/zinc/06/54/18/1370065418.db2.gz MJSBVXNSZRMEID-HBFSDRIKSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)o1 ZINC001203292153 1370065423 /nfs/dbraw/zinc/06/54/23/1370065423.db2.gz MJSBVXNSZRMEID-HBFSDRIKSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)o1 ZINC001203292153 1370065428 /nfs/dbraw/zinc/06/54/28/1370065428.db2.gz MJSBVXNSZRMEID-HBFSDRIKSA-N 2 2 342.487 3.158 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)o1 ZINC001203292153 1370065432 /nfs/dbraw/zinc/06/54/32/1370065432.db2.gz MJSBVXNSZRMEID-HBFSDRIKSA-N 2 2 342.487 3.158 20 0 EGADLP COc1ccc2c(Nc3ccnc(-c4cc(N)cc[nH+]4)c3)cc[nH+]c2c1 ZINC001203522911 1370154269 /nfs/dbraw/zinc/15/42/69/1370154269.db2.gz NOTWKPIXGWJWQZ-UHFFFAOYSA-N 2 2 343.390 3.448 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cccc(Br)c3)CC2)cc[nH+]1 ZINC001203768272 1370256824 /nfs/dbraw/zinc/25/68/24/1370256824.db2.gz LPCDJGXYLYKVFL-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203820117 1370276945 /nfs/dbraw/zinc/27/69/45/1370276945.db2.gz DKSIUUIROKWDGL-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c1 ZINC001203820117 1370276950 /nfs/dbraw/zinc/27/69/50/1370276950.db2.gz DKSIUUIROKWDGL-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)c1 ZINC001203820117 1370276954 /nfs/dbraw/zinc/27/69/54/1370276954.db2.gz DKSIUUIROKWDGL-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)c1 ZINC001203820117 1370276959 /nfs/dbraw/zinc/27/69/59/1370276959.db2.gz DKSIUUIROKWDGL-HXUWFJFHSA-N 2 2 332.488 3.018 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001203841889 1370286581 /nfs/dbraw/zinc/28/65/81/1370286581.db2.gz YHWHKCQCIFSYGA-INIZCTEOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1OC ZINC001203841889 1370286584 /nfs/dbraw/zinc/28/65/84/1370286584.db2.gz YHWHKCQCIFSYGA-INIZCTEOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)cc1C ZINC001203899705 1370305957 /nfs/dbraw/zinc/30/59/57/1370305957.db2.gz SQKXEIQOMCHBFG-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)cc1C ZINC001203899705 1370305961 /nfs/dbraw/zinc/30/59/61/1370305961.db2.gz SQKXEIQOMCHBFG-UHFFFAOYSA-N 2 2 332.488 3.079 20 0 EGADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(F)cc2)CC3)cn1 ZINC001203914765 1370312067 /nfs/dbraw/zinc/31/20/67/1370312067.db2.gz PJTNIYJNMLQDEX-UHFFFAOYSA-N 2 2 342.462 3.190 20 0 EGADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(F)cc2)CC3)cn1 ZINC001203914765 1370312071 /nfs/dbraw/zinc/31/20/71/1370312071.db2.gz PJTNIYJNMLQDEX-UHFFFAOYSA-N 2 2 342.462 3.190 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204508516 1370498337 /nfs/dbraw/zinc/49/83/37/1370498337.db2.gz GRSDVCDNYLMVGH-OALUTQOASA-N 2 2 325.431 3.093 20 0 EGADLP COC(=O)c1cccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001204685559 1370545782 /nfs/dbraw/zinc/54/57/82/1370545782.db2.gz CYDZAXPEHSQNNT-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1cccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c1 ZINC001204685559 1370545788 /nfs/dbraw/zinc/54/57/88/1370545788.db2.gz CYDZAXPEHSQNNT-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP Cc1[nH+]c2ccccn2c1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001204734614 1370558159 /nfs/dbraw/zinc/55/81/59/1370558159.db2.gz UGUAKNSGCIYWQM-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP Cc1[nH+]c2ccccn2c1Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001204734614 1370558163 /nfs/dbraw/zinc/55/81/63/1370558163.db2.gz UGUAKNSGCIYWQM-UHFFFAOYSA-N 2 2 335.455 3.134 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580943 1370583522 /nfs/dbraw/zinc/58/35/22/1370583522.db2.gz XKEFSWMHXNBPSA-IAGOWNOFSA-N 2 2 346.519 3.358 20 0 EGADLP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580943 1370583523 /nfs/dbraw/zinc/58/35/23/1370583523.db2.gz XKEFSWMHXNBPSA-IAGOWNOFSA-N 2 2 346.519 3.358 20 0 EGADLP O=C(NCC1([NH2+]C/C=C/Cl)CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001115595178 1370596918 /nfs/dbraw/zinc/59/69/18/1370596918.db2.gz RGVBUVUUSIBNOE-XBXARRHUSA-N 2 2 346.862 3.338 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001115603035 1370602504 /nfs/dbraw/zinc/60/25/04/1370602504.db2.gz JRMJHHLACAYLIP-QGZVFWFLSA-N 2 2 346.519 3.044 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2c(F)cc(Cl)cc2Br)CC1 ZINC001205040881 1370636741 /nfs/dbraw/zinc/63/67/41/1370636741.db2.gz KEJFKMVQQNMLEQ-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001205083002 1370645493 /nfs/dbraw/zinc/64/54/93/1370645493.db2.gz MEHLYTNCPVLAMI-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2ncc(Br)cc2c1 ZINC001205083002 1370645495 /nfs/dbraw/zinc/64/54/95/1370645495.db2.gz MEHLYTNCPVLAMI-NHYWBVRUSA-N 2 2 334.261 3.309 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288039 1370707409 /nfs/dbraw/zinc/70/74/09/1370707409.db2.gz FWOKFZUHLKDZPJ-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205288039 1370707413 /nfs/dbraw/zinc/70/74/13/1370707413.db2.gz FWOKFZUHLKDZPJ-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318833 1370721395 /nfs/dbraw/zinc/72/13/95/1370721395.db2.gz WXGZFVKSPOIHIJ-PWSUYJOCSA-N 2 2 329.257 3.313 20 0 EGADLP Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1F ZINC001205318833 1370721397 /nfs/dbraw/zinc/72/13/97/1370721397.db2.gz WXGZFVKSPOIHIJ-PWSUYJOCSA-N 2 2 329.257 3.313 20 0 EGADLP CCC/C=C/CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749180 1370729736 /nfs/dbraw/zinc/72/97/36/1370729736.db2.gz PGFYZDVVLRLLCE-SNAWJCMRSA-N 2 2 332.492 3.107 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765901 1370750251 /nfs/dbraw/zinc/75/02/51/1370750251.db2.gz KYCGXIUISVVCFP-VGOKWCNXSA-N 2 2 346.519 3.353 20 0 EGADLP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765901 1370750255 /nfs/dbraw/zinc/75/02/55/1370750255.db2.gz KYCGXIUISVVCFP-VGOKWCNXSA-N 2 2 346.519 3.353 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765988 1370751157 /nfs/dbraw/zinc/75/11/57/1370751157.db2.gz OYGVZNAJZJNJCW-CVEARBPZSA-N 2 2 334.508 3.043 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765988 1370751161 /nfs/dbraw/zinc/75/11/61/1370751161.db2.gz OYGVZNAJZJNJCW-CVEARBPZSA-N 2 2 334.508 3.043 20 0 EGADLP CC/C=C\CC[NH2+]CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001205512440 1370776390 /nfs/dbraw/zinc/77/63/90/1370776390.db2.gz MAHNKATWWUMPMY-SREVYHEPSA-N 2 2 346.519 3.111 20 0 EGADLP COc1nc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1C ZINC001205582975 1370800370 /nfs/dbraw/zinc/80/03/70/1370800370.db2.gz KYBGCILAIDUMAY-OAQYLSRUSA-N 2 2 339.483 3.400 20 0 EGADLP COc1nc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC001205582975 1370800375 /nfs/dbraw/zinc/80/03/75/1370800375.db2.gz KYBGCILAIDUMAY-OAQYLSRUSA-N 2 2 339.483 3.400 20 0 EGADLP CC/C=C\CC[NH2+]CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001205679524 1370840786 /nfs/dbraw/zinc/84/07/86/1370840786.db2.gz LBOZGVPHNUTLDE-ARJAWSKDSA-N 2 2 340.471 3.132 20 0 EGADLP Cc1ccc(-c2cncc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c2)cc1 ZINC001205787019 1370870333 /nfs/dbraw/zinc/87/03/33/1370870333.db2.gz DNPPYBXCCMYFAS-GOSISDBHSA-N 2 2 331.410 3.473 20 0 EGADLP Cc1ccc(-c2cncc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)c2)cc1 ZINC001205787019 1370870335 /nfs/dbraw/zinc/87/03/35/1370870335.db2.gz DNPPYBXCCMYFAS-GOSISDBHSA-N 2 2 331.410 3.473 20 0 EGADLP c1cn2cc(Nc3ccc(C4([NH+]5CCOCC5)CC4)cc3)ccc2[nH+]1 ZINC001205790596 1370871063 /nfs/dbraw/zinc/87/10/63/1370871063.db2.gz GCIZFJSOSWDYEE-UHFFFAOYSA-N 2 2 334.423 3.399 20 0 EGADLP CCC(CC)n1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)n1 ZINC001116317645 1370884452 /nfs/dbraw/zinc/88/44/52/1370884452.db2.gz YDUTZEJELVBBLC-UHFFFAOYSA-N 2 2 338.415 3.386 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC001116526240 1370929857 /nfs/dbraw/zinc/92/98/57/1370929857.db2.gz VHKXKUSYLHVIIG-MAUKXSAKSA-N 2 2 342.443 3.356 20 0 EGADLP C[C@@H]1C[N@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013798 1370938923 /nfs/dbraw/zinc/93/89/23/1370938923.db2.gz UIKKRIMJVRDWMJ-PWSUYJOCSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2cc(F)c(O)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013798 1370938926 /nfs/dbraw/zinc/93/89/26/1370938926.db2.gz UIKKRIMJVRDWMJ-PWSUYJOCSA-N 2 2 345.256 3.101 20 0 EGADLP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC001326050502 1388105612 /nfs/dbraw/zinc/10/56/12/1388105612.db2.gz HYJIAVFWKOROAU-SEJPIABJSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC001326050502 1388105618 /nfs/dbraw/zinc/10/56/18/1388105618.db2.gz HYJIAVFWKOROAU-SEJPIABJSA-N 2 2 336.483 3.460 20 0 EGADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001206164974 1370977504 /nfs/dbraw/zinc/97/75/04/1370977504.db2.gz GVPMNDCEEHGEKH-ZWKOTPCHSA-N 2 2 349.544 3.083 20 0 EGADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001206164974 1370977509 /nfs/dbraw/zinc/97/75/09/1370977509.db2.gz GVPMNDCEEHGEKH-ZWKOTPCHSA-N 2 2 349.544 3.083 20 0 EGADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001206164974 1370977512 /nfs/dbraw/zinc/97/75/12/1370977512.db2.gz GVPMNDCEEHGEKH-ZWKOTPCHSA-N 2 2 349.544 3.083 20 0 EGADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)s1 ZINC001206164974 1370977517 /nfs/dbraw/zinc/97/75/17/1370977517.db2.gz GVPMNDCEEHGEKH-ZWKOTPCHSA-N 2 2 349.544 3.083 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001206269169 1371009146 /nfs/dbraw/zinc/00/91/46/1371009146.db2.gz DXHRUJNRDOLARS-LBPRGKRZSA-N 2 2 338.377 3.279 20 0 EGADLP C[C@H]1C[NH2+]CCC[N@H+]1Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001206269169 1371009147 /nfs/dbraw/zinc/00/91/47/1371009147.db2.gz DXHRUJNRDOLARS-LBPRGKRZSA-N 2 2 338.377 3.279 20 0 EGADLP COC(=O)CCCCCCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336745 1371026364 /nfs/dbraw/zinc/02/63/64/1371026364.db2.gz OLQPIYKXSZTIPV-GOSISDBHSA-N 2 2 330.488 3.433 20 0 EGADLP COC(=O)CCCCCCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336745 1371026361 /nfs/dbraw/zinc/02/63/61/1371026361.db2.gz OLQPIYKXSZTIPV-GOSISDBHSA-N 2 2 330.488 3.433 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206564930 1371094982 /nfs/dbraw/zinc/09/49/82/1371094982.db2.gz RURHMYCOLHRFHY-HNNXBMFYSA-N 2 2 326.282 3.103 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206564930 1371094986 /nfs/dbraw/zinc/09/49/86/1371094986.db2.gz RURHMYCOLHRFHY-HNNXBMFYSA-N 2 2 326.282 3.103 20 0 EGADLP COc1cccc(Br)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640650 1371116059 /nfs/dbraw/zinc/11/60/59/1371116059.db2.gz KEIRCODVKVVXLP-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP COc1cccc(Br)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206640650 1371116062 /nfs/dbraw/zinc/11/60/62/1371116062.db2.gz KEIRCODVKVVXLP-LBPRGKRZSA-N 2 2 327.266 3.019 20 0 EGADLP [NH3+][C@H]1CCc2c1cccc2-c1ccc(C[NH+]2CCOCC2)cc1F ZINC001206734236 1371148776 /nfs/dbraw/zinc/14/87/76/1371148776.db2.gz XQILHGCUVVNNQJ-FQEVSTJZSA-N 2 2 326.415 3.271 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001206743600 1371151575 /nfs/dbraw/zinc/15/15/75/1371151575.db2.gz OEXXSQZWEOJINC-UHFFFAOYSA-N 2 2 343.450 3.091 20 0 EGADLP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1[nH+]cc2ccccn21 ZINC001207053945 1371279153 /nfs/dbraw/zinc/27/91/53/1371279153.db2.gz ALQLEKGUHLVNQK-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1[nH+]cc2ccccn21 ZINC001207053945 1371279156 /nfs/dbraw/zinc/27/91/56/1371279156.db2.gz ALQLEKGUHLVNQK-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001119300622 1371301399 /nfs/dbraw/zinc/30/13/99/1371301399.db2.gz AYGMUIWHKFXDOT-AWEZNQCLSA-N 2 2 347.434 3.031 20 0 EGADLP COc1cc(F)cc(OC)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001119300622 1371301404 /nfs/dbraw/zinc/30/14/04/1371301404.db2.gz AYGMUIWHKFXDOT-AWEZNQCLSA-N 2 2 347.434 3.031 20 0 EGADLP CCOc1cccc(F)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001119300766 1371301531 /nfs/dbraw/zinc/30/15/31/1371301531.db2.gz GLBDYCWKYSXXKJ-HNNXBMFYSA-N 2 2 331.435 3.413 20 0 EGADLP CCOc1cccc(F)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001119300766 1371301536 /nfs/dbraw/zinc/30/15/36/1371301536.db2.gz GLBDYCWKYSXXKJ-HNNXBMFYSA-N 2 2 331.435 3.413 20 0 EGADLP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281832 1371349639 /nfs/dbraw/zinc/34/96/39/1371349639.db2.gz HRELTBKSCUJOBW-UHFFFAOYSA-N 2 2 330.520 3.010 20 0 EGADLP Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207281832 1371349643 /nfs/dbraw/zinc/34/96/43/1371349643.db2.gz HRELTBKSCUJOBW-UHFFFAOYSA-N 2 2 330.520 3.010 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288202 1371351134 /nfs/dbraw/zinc/35/11/34/1371351134.db2.gz JIXFKIXRCRBXNO-UXHICEINSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288202 1371351140 /nfs/dbraw/zinc/35/11/40/1371351140.db2.gz JIXFKIXRCRBXNO-UXHICEINSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288202 1371351142 /nfs/dbraw/zinc/35/11/42/1371351142.db2.gz JIXFKIXRCRBXNO-UXHICEINSA-N 3 2 329.532 3.028 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207288202 1371351148 /nfs/dbraw/zinc/35/11/48/1371351148.db2.gz JIXFKIXRCRBXNO-UXHICEINSA-N 3 2 329.532 3.028 20 0 EGADLP CC[N@H+](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207313190 1371358584 /nfs/dbraw/zinc/35/85/84/1371358584.db2.gz MZKGYJLFLYIVBF-KRWDZBQOSA-N 2 2 339.524 3.192 20 0 EGADLP CC[N@@H+](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207313190 1371358586 /nfs/dbraw/zinc/35/85/86/1371358586.db2.gz MZKGYJLFLYIVBF-KRWDZBQOSA-N 2 2 339.524 3.192 20 0 EGADLP C1=C2CCC[N@@H+](C[C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207471872 1371405848 /nfs/dbraw/zinc/40/58/48/1371405848.db2.gz WJHQDKLXFHCIQY-RSRIQPTJSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[N@H+](C[C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001207471872 1371405852 /nfs/dbraw/zinc/40/58/52/1371405852.db2.gz WJHQDKLXFHCIQY-RSRIQPTJSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[NH+](C[C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001207471872 1371405854 /nfs/dbraw/zinc/40/58/54/1371405854.db2.gz WJHQDKLXFHCIQY-RSRIQPTJSA-N 2 2 330.516 3.308 20 0 EGADLP C1=C2CCC[NH+](C[C@H]3CCCOC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001207471872 1371405859 /nfs/dbraw/zinc/40/58/59/1371405859.db2.gz WJHQDKLXFHCIQY-RSRIQPTJSA-N 2 2 330.516 3.308 20 0 EGADLP Fc1ccccc1CCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001207491987 1371413012 /nfs/dbraw/zinc/41/30/12/1371413012.db2.gz QKOZHALLDIIIIM-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP Fc1ccccc1CCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001207491987 1371413015 /nfs/dbraw/zinc/41/30/15/1371413015.db2.gz QKOZHALLDIIIIM-UHFFFAOYSA-N 2 2 342.462 3.066 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461196 1371583970 /nfs/dbraw/zinc/58/39/70/1371583970.db2.gz RWFSEZRKZSYUFX-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461196 1371583975 /nfs/dbraw/zinc/58/39/75/1371583975.db2.gz RWFSEZRKZSYUFX-OALUTQOASA-N 2 2 346.519 3.166 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)cn1 ZINC001208091241 1371594364 /nfs/dbraw/zinc/59/43/64/1371594364.db2.gz UDUYDUSRYHXVSJ-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCC4CCCC4)C[C@H]3C2)cn1 ZINC001208091241 1371594369 /nfs/dbraw/zinc/59/43/69/1371594369.db2.gz UDUYDUSRYHXVSJ-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCC4CCCC4)C[C@H]3C2)cn1 ZINC001208091241 1371594374 /nfs/dbraw/zinc/59/43/74/1371594374.db2.gz UDUYDUSRYHXVSJ-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCC4CCCC4)C[C@H]3C2)cn1 ZINC001208091241 1371594377 /nfs/dbraw/zinc/59/43/77/1371594377.db2.gz UDUYDUSRYHXVSJ-UXHICEINSA-N 2 2 330.520 3.144 20 0 EGADLP CC1=C[C@H](C)[C@H](C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)CC1 ZINC001208159319 1371613136 /nfs/dbraw/zinc/61/31/36/1371613136.db2.gz FDFDAMCIOWMLGV-MJUUVYJYSA-N 2 2 325.500 3.438 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1cccc(F)c1)CC2 ZINC001208196159 1371637714 /nfs/dbraw/zinc/63/77/14/1371637714.db2.gz XAHRHYGCRNVRCW-UHFFFAOYSA-N 2 2 344.478 3.266 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1cccc(F)c1)CC2 ZINC001208196159 1371637743 /nfs/dbraw/zinc/63/77/43/1371637743.db2.gz XAHRHYGCRNVRCW-UHFFFAOYSA-N 2 2 344.478 3.266 20 0 EGADLP CC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387081 1371746866 /nfs/dbraw/zinc/74/68/66/1371746866.db2.gz MRZNXHKTLQBMPZ-YSKLNCTFSA-N 2 2 346.519 3.407 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)c[nH+]1 ZINC001208410975 1371757433 /nfs/dbraw/zinc/75/74/33/1371757433.db2.gz KACIDXRUQMSRGB-SFHVURJKSA-N 2 2 346.519 3.088 20 0 EGADLP Fc1ccc(CCC[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208765386 1371889555 /nfs/dbraw/zinc/88/95/55/1371889555.db2.gz OBOORCCIAAUFJF-UHFFFAOYSA-N 2 2 340.402 3.049 20 0 EGADLP Fc1ccc(CCC[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)cc1 ZINC001208765386 1371889559 /nfs/dbraw/zinc/88/95/59/1371889559.db2.gz OBOORCCIAAUFJF-UHFFFAOYSA-N 2 2 340.402 3.049 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cc1 ZINC001208766260 1371889656 /nfs/dbraw/zinc/88/96/56/1371889656.db2.gz BVVVLLJFQSEYMT-OALUTQOASA-N 2 2 339.458 3.217 20 0 EGADLP c1ccc(COCCCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001209253095 1372051947 /nfs/dbraw/zinc/05/19/47/1372051947.db2.gz KSTPEOVPWVTSOI-UHFFFAOYSA-N 2 2 328.500 3.401 20 0 EGADLP c1ccc(COCCCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001209253095 1372051951 /nfs/dbraw/zinc/05/19/51/1372051951.db2.gz KSTPEOVPWVTSOI-UHFFFAOYSA-N 2 2 328.500 3.401 20 0 EGADLP CC[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001209457471 1372111560 /nfs/dbraw/zinc/11/15/60/1372111560.db2.gz QIYAEIAMESPUNO-MRXNPFEDSA-N 2 2 339.524 3.240 20 0 EGADLP COCC[N@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001209721646 1372177409 /nfs/dbraw/zinc/17/74/09/1372177409.db2.gz AWFRHIZWYHUHMO-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP COCC[N@@H+](Cc1cc2cc(Cl)ccc2[nH]1)C1CC[NH+](C)CC1 ZINC001209721646 1372177414 /nfs/dbraw/zinc/17/74/14/1372177414.db2.gz AWFRHIZWYHUHMO-UHFFFAOYSA-N 2 2 335.879 3.364 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3ncc(Br)cc3c2)CC[NH2+]1 ZINC001210518230 1372370937 /nfs/dbraw/zinc/37/09/37/1372370937.db2.gz DFSBYPKSJASOQI-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3ncc(Br)cc3c2)CC[NH2+]1 ZINC001210518230 1372370942 /nfs/dbraw/zinc/37/09/42/1372370942.db2.gz DFSBYPKSJASOQI-GFCCVEGCSA-N 2 2 334.261 3.181 20 0 EGADLP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210668644 1372403420 /nfs/dbraw/zinc/40/34/20/1372403420.db2.gz OGIUGOZHARYOLU-WLMCBFPDSA-N 2 2 332.492 3.014 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210668643 1372403562 /nfs/dbraw/zinc/40/35/62/1372403562.db2.gz OGIUGOZHARYOLU-MWWKQMNYSA-N 2 2 332.492 3.014 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001124773514 1372729575 /nfs/dbraw/zinc/72/95/75/1372729575.db2.gz ZMUWQITXBYCQIV-SFHVURJKSA-N 2 2 346.434 3.333 20 0 EGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001124773514 1372729577 /nfs/dbraw/zinc/72/95/77/1372729577.db2.gz ZMUWQITXBYCQIV-SFHVURJKSA-N 2 2 346.434 3.333 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccccc1F)n1cc[nH+]c1 ZINC001130006902 1373445967 /nfs/dbraw/zinc/44/59/67/1373445967.db2.gz XODRLZLRWUSQTB-MAUKXSAKSA-N 2 2 346.450 3.076 20 0 EGADLP c1ccc2cc(-c3nnc([C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)o3)ccc2c1 ZINC001217704869 1373491503 /nfs/dbraw/zinc/49/15/03/1373491503.db2.gz IZUVYHDSDZMHFD-KRWDZBQOSA-N 2 2 334.423 3.437 20 0 EGADLP C[C@@H]([NH2+]CCNC(=O)c1cccc2[nH+]ccn21)c1ccccc1Cl ZINC001131273867 1373673201 /nfs/dbraw/zinc/67/32/01/1373673201.db2.gz WQKFERFSMAJCEL-CYBMUJFWSA-N 2 2 342.830 3.068 20 0 EGADLP COc1cccc2c(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)cccc12 ZINC001219362759 1373704036 /nfs/dbraw/zinc/70/40/36/1373704036.db2.gz VISSPRONWVEKPH-QGZVFWFLSA-N 2 2 335.407 3.059 20 0 EGADLP Brc1ccc2cc(C[NH+]3CC4(C3)CC[NH2+]C4)ccc2c1 ZINC001222380238 1373831149 /nfs/dbraw/zinc/83/11/49/1373831149.db2.gz WLFIQMGGWDBAAQ-UHFFFAOYSA-N 2 2 331.257 3.398 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188349280 1388294984 /nfs/dbraw/zinc/29/49/84/1388294984.db2.gz MTDCTYCKYFLFLV-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001188349280 1388294986 /nfs/dbraw/zinc/29/49/86/1388294986.db2.gz MTDCTYCKYFLFLV-HNAYVOBHSA-N 2 2 340.471 3.145 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C)C1 ZINC001132445576 1375390572 /nfs/dbraw/zinc/39/05/72/1375390572.db2.gz PRNGOMSETNMPCI-HOCLYGCPSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C)C1 ZINC001132445576 1375390577 /nfs/dbraw/zinc/39/05/77/1375390577.db2.gz PRNGOMSETNMPCI-HOCLYGCPSA-N 2 2 334.508 3.056 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132782098 1375561536 /nfs/dbraw/zinc/56/15/36/1375561536.db2.gz JGPVZSBRUMDSMN-HQYUYXFKSA-N 2 2 346.519 3.163 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)n1cc[nH+]c1 ZINC001228854481 1375696141 /nfs/dbraw/zinc/69/61/41/1375696141.db2.gz YLMCBSNGVVOKBS-QXAKKESOSA-N 2 2 346.519 3.432 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229384633 1375824455 /nfs/dbraw/zinc/82/44/55/1375824455.db2.gz HTTBECWFJKPUNV-SJORKVTESA-N 2 2 334.508 3.097 20 0 EGADLP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C ZINC001133363212 1375945667 /nfs/dbraw/zinc/94/56/67/1375945667.db2.gz FRPNJIPACUNGMZ-NYQZOWANSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH+]1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232017264 1376385780 /nfs/dbraw/zinc/38/57/80/1376385780.db2.gz ONHMGPJVHNXFDS-ZIAGYGMSSA-N 2 2 344.459 3.393 20 0 EGADLP CC(C)=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001134369954 1376497314 /nfs/dbraw/zinc/49/73/14/1376497314.db2.gz VEBYCCUSJJWAOE-CABCVRRESA-N 2 2 328.460 3.095 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC3CCCC3)ccn12 ZINC001134369277 1376498092 /nfs/dbraw/zinc/49/80/92/1376498092.db2.gz JHVHQGQAJZWXLS-LSDHHAIUSA-N 2 2 342.487 3.319 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC2CC(C)(C)C2)c[nH+]1 ZINC001134730497 1376682983 /nfs/dbraw/zinc/68/29/83/1376682983.db2.gz YOCFACYLILTGHK-GJZGRUSLSA-N 2 2 348.535 3.236 20 0 EGADLP CC/C=C/CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001134730313 1376683024 /nfs/dbraw/zinc/68/30/24/1376683024.db2.gz VBVHOGYVYVPWOU-GUFYHEMZSA-N 2 2 334.508 3.156 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CC(C)(C)C2)c[nH+]1 ZINC001134730498 1376683310 /nfs/dbraw/zinc/68/33/10/1376683310.db2.gz YOCFACYLILTGHK-HUUCEWRRSA-N 2 2 348.535 3.236 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1[nH]c(C)cc1C)CC2 ZINC001235020656 1376828947 /nfs/dbraw/zinc/82/89/47/1376828947.db2.gz VAQJYEVLVYIUPS-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1[nH]c(C)cc1C)CC2 ZINC001235020656 1376828958 /nfs/dbraw/zinc/82/89/58/1376828958.db2.gz VAQJYEVLVYIUPS-UHFFFAOYSA-N 2 2 339.483 3.277 20 0 EGADLP Clc1ccc(CCC[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1Cl ZINC001235113633 1376847160 /nfs/dbraw/zinc/84/71/60/1376847160.db2.gz FMHZNHXIFKKWMN-KRWDZBQOSA-N 2 2 343.298 3.380 20 0 EGADLP Clc1ccc(CCC[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1Cl ZINC001235113633 1376847168 /nfs/dbraw/zinc/84/71/68/1376847168.db2.gz FMHZNHXIFKKWMN-KRWDZBQOSA-N 2 2 343.298 3.380 20 0 EGADLP Cc1cc(Cl)c(CN2CC[NH+](C3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001235703982 1376884044 /nfs/dbraw/zinc/88/40/44/1376884044.db2.gz WRESHAZOOWYUGI-UHFFFAOYSA-N 2 2 342.314 3.171 20 0 EGADLP CC[N@H+](Cc1ccc(F)c(Br)c1F)C1CC[NH2+]CC1 ZINC001235765271 1376889967 /nfs/dbraw/zinc/88/99/67/1376889967.db2.gz WFAKUVJWHZKNAU-UHFFFAOYSA-N 2 2 333.220 3.301 20 0 EGADLP CC[N@@H+](Cc1ccc(F)c(Br)c1F)C1CC[NH2+]CC1 ZINC001235765271 1376889969 /nfs/dbraw/zinc/88/99/69/1376889969.db2.gz WFAKUVJWHZKNAU-UHFFFAOYSA-N 2 2 333.220 3.301 20 0 EGADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001235945310 1376922104 /nfs/dbraw/zinc/92/21/04/1376922104.db2.gz FGPCXEUJMCWBEO-LJQANCHMSA-N 2 2 334.467 3.243 20 0 EGADLP [NH3+]CCN(Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236525498 1376955391 /nfs/dbraw/zinc/95/53/91/1376955391.db2.gz GDFCMNICSSYYDQ-UHFFFAOYSA-N 2 2 340.858 3.487 20 0 EGADLP Oc1cccc2ccc(C[N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)nc12 ZINC001236654192 1376958212 /nfs/dbraw/zinc/95/82/12/1376958212.db2.gz UBOLDMKVVRKOPM-SFHVURJKSA-N 2 2 325.456 3.437 20 0 EGADLP Oc1cccc2ccc(C[N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)nc12 ZINC001236654192 1376958214 /nfs/dbraw/zinc/95/82/14/1376958214.db2.gz UBOLDMKVVRKOPM-SFHVURJKSA-N 2 2 325.456 3.437 20 0 EGADLP Fc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)c(F)c1 ZINC001237141501 1376975557 /nfs/dbraw/zinc/97/55/57/1376975557.db2.gz GYNUNSZNFLUCIT-HXUWFJFHSA-N 2 2 344.405 3.196 20 0 EGADLP Fc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)cc2)c(F)c1 ZINC001237141501 1376975560 /nfs/dbraw/zinc/97/55/60/1376975560.db2.gz GYNUNSZNFLUCIT-HXUWFJFHSA-N 2 2 344.405 3.196 20 0 EGADLP C[C@@H]1CC[C@@H](NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)C[NH2+]1 ZINC001246297009 1377051069 /nfs/dbraw/zinc/05/10/69/1377051069.db2.gz UBUKVBSOEPXSIT-KFNAQCHYSA-N 2 2 330.303 3.326 20 0 EGADLP C[C@H]1CC([NH2+]C2(Cc3ccccc3Cl)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246381311 1377051630 /nfs/dbraw/zinc/05/16/30/1377051630.db2.gz OWYLEJZKHIPLMD-GJZGRUSLSA-N 3 2 335.923 3.123 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3Cl)CC[NH2+]CC2)C[C@H](C)[NH2+]1 ZINC001246381313 1377051650 /nfs/dbraw/zinc/05/16/50/1377051650.db2.gz OWYLEJZKHIPLMD-SCAQPMJSSA-N 3 2 335.923 3.123 20 0 EGADLP C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547044 1377051989 /nfs/dbraw/zinc/05/19/89/1377051989.db2.gz ALBZHMALEPJXTI-BBPUYGCGSA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547044 1377051990 /nfs/dbraw/zinc/05/19/90/1377051990.db2.gz ALBZHMALEPJXTI-BBPUYGCGSA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547044 1377051993 /nfs/dbraw/zinc/05/19/93/1377051993.db2.gz ALBZHMALEPJXTI-BBPUYGCGSA-N 3 2 329.532 3.345 20 0 EGADLP C[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC001246547044 1377051995 /nfs/dbraw/zinc/05/19/95/1377051995.db2.gz ALBZHMALEPJXTI-BBPUYGCGSA-N 3 2 329.532 3.345 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc5c(c4)COC5)C[C@@H]3C2)c1 ZINC001137023338 1377459856 /nfs/dbraw/zinc/45/98/56/1377459856.db2.gz LULPEJPANQISFF-RTBURBONSA-N 2 2 340.492 3.342 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137789168 1377616245 /nfs/dbraw/zinc/61/62/45/1377616245.db2.gz DJPAJNGWCSROHU-SFHVURJKSA-N 2 2 330.472 3.314 20 0 EGADLP COC(=O)c1ccccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137789168 1377616247 /nfs/dbraw/zinc/61/62/47/1377616247.db2.gz DJPAJNGWCSROHU-SFHVURJKSA-N 2 2 330.472 3.314 20 0 EGADLP C[C@@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@H+](CC2CCC2)C1 ZINC001270966613 1377619463 /nfs/dbraw/zinc/61/94/63/1377619463.db2.gz ZRCNECMYPWXNPG-FQEVSTJZSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@@]1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@@H+](CC2CCC2)C1 ZINC001270966613 1377619467 /nfs/dbraw/zinc/61/94/67/1377619467.db2.gz ZRCNECMYPWXNPG-FQEVSTJZSA-N 2 2 340.471 3.195 20 0 EGADLP CN(C)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)s1 ZINC001138488509 1377731850 /nfs/dbraw/zinc/73/18/50/1377731850.db2.gz SUYMRQOOPXPJMX-HUUCEWRRSA-N 2 2 347.553 3.439 20 0 EGADLP CC[N@H+](Cc1cccc(Oc2ncccn2)c1)C1CC[NH+](C)CC1 ZINC001138621679 1377755022 /nfs/dbraw/zinc/75/50/22/1377755022.db2.gz DZAHDMQZLKFNNB-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP CC[N@@H+](Cc1cccc(Oc2ncccn2)c1)C1CC[NH+](C)CC1 ZINC001138621679 1377755024 /nfs/dbraw/zinc/75/50/24/1377755024.db2.gz DZAHDMQZLKFNNB-UHFFFAOYSA-N 2 2 326.444 3.185 20 0 EGADLP CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001138767291 1377781786 /nfs/dbraw/zinc/78/17/86/1377781786.db2.gz JKYJGKNGHAVEEF-UHFFFAOYSA-N 2 2 326.488 3.236 20 0 EGADLP CC(C)[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC001138767291 1377781787 /nfs/dbraw/zinc/78/17/87/1377781787.db2.gz JKYJGKNGHAVEEF-UHFFFAOYSA-N 2 2 326.488 3.236 20 0 EGADLP C[N@@H+](Cc1cccc2ccnn21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138808570 1377789344 /nfs/dbraw/zinc/78/93/44/1377789344.db2.gz ZYIWIYVCTAICFR-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[N@H+](Cc1cccc2ccnn21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138808570 1377789347 /nfs/dbraw/zinc/78/93/47/1377789347.db2.gz ZYIWIYVCTAICFR-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2ccnn21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138808570 1377789349 /nfs/dbraw/zinc/78/93/49/1377789349.db2.gz ZYIWIYVCTAICFR-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP C[NH+](Cc1cccc2ccnn21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138808570 1377789352 /nfs/dbraw/zinc/78/93/52/1377789352.db2.gz ZYIWIYVCTAICFR-IBGZPJMESA-N 2 2 334.467 3.288 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(OCC)c1 ZINC001138977454 1377812006 /nfs/dbraw/zinc/81/20/06/1377812006.db2.gz QBYXCWPEMCIYGN-UHFFFAOYSA-N 2 2 341.455 3.201 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCC)c(OCC)c3)C[C@@H]2C1 ZINC001138976535 1377812012 /nfs/dbraw/zinc/81/20/12/1377812012.db2.gz HPPOUHAROZMGEV-ROUUACIJSA-N 2 2 332.488 3.258 20 0 EGADLP F[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052436 1377822684 /nfs/dbraw/zinc/82/26/84/1377822684.db2.gz FAKNKHDTJQVJQQ-QGZVFWFLSA-N 2 2 342.405 3.088 20 0 EGADLP F[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC001139052436 1377822687 /nfs/dbraw/zinc/82/26/87/1377822687.db2.gz FAKNKHDTJQVJQQ-QGZVFWFLSA-N 2 2 342.405 3.088 20 0 EGADLP CCn1ccc2c1cccc2C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001139153163 1377840853 /nfs/dbraw/zinc/84/08/53/1377840853.db2.gz FENWJUJYJTXHKU-UHFFFAOYSA-N 2 2 349.482 3.390 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139207073 1377851608 /nfs/dbraw/zinc/85/16/08/1377851608.db2.gz RPTCMSKOFKTPBV-HXUWFJFHSA-N 2 2 341.499 3.254 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc3ccn(C)c3c2)CC1 ZINC001139207073 1377851609 /nfs/dbraw/zinc/85/16/09/1377851609.db2.gz RPTCMSKOFKTPBV-HXUWFJFHSA-N 2 2 341.499 3.254 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](Oc4cccnc4)C3)cc2)c[nH+]1 ZINC001139360182 1377874249 /nfs/dbraw/zinc/87/42/49/1377874249.db2.gz KAOPEFUBXKMEKW-FQEVSTJZSA-N 2 2 334.423 3.311 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](Oc4cccnc4)C3)cc2)c[nH+]1 ZINC001139360182 1377874250 /nfs/dbraw/zinc/87/42/50/1377874250.db2.gz KAOPEFUBXKMEKW-FQEVSTJZSA-N 2 2 334.423 3.311 20 0 EGADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 ZINC001139475618 1377891473 /nfs/dbraw/zinc/89/14/73/1377891473.db2.gz GZFOSMSADIVAQN-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 ZINC001139475618 1377891477 /nfs/dbraw/zinc/89/14/77/1377891477.db2.gz GZFOSMSADIVAQN-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 ZINC001139475618 1377891478 /nfs/dbraw/zinc/89/14/78/1377891478.db2.gz GZFOSMSADIVAQN-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccc(Br)cc4[nH]3)C[C@@H]2C1 ZINC001139475618 1377891483 /nfs/dbraw/zinc/89/14/83/1377891483.db2.gz GZFOSMSADIVAQN-OKILXGFUSA-N 2 2 348.288 3.314 20 0 EGADLP FC(F)(F)c1cnc2[nH]cc(C[NH+]3CCC([NH+]4CCC4)CC3)c2c1 ZINC001139543344 1377901626 /nfs/dbraw/zinc/90/16/26/1377901626.db2.gz YATHTFUCHXDJLY-UHFFFAOYSA-N 2 2 338.377 3.252 20 0 EGADLP CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140022172 1377991405 /nfs/dbraw/zinc/99/14/05/1377991405.db2.gz ZXQRKQMCTSUTEL-QGZVFWFLSA-N 2 2 341.455 3.346 20 0 EGADLP CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140022172 1377991406 /nfs/dbraw/zinc/99/14/06/1377991406.db2.gz ZXQRKQMCTSUTEL-QGZVFWFLSA-N 2 2 341.455 3.346 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC001140027553 1377992984 /nfs/dbraw/zinc/99/29/84/1377992984.db2.gz PWNORGVRAFOFPB-UHFFFAOYSA-N 2 2 335.455 3.294 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001140027489 1377993131 /nfs/dbraw/zinc/99/31/31/1377993131.db2.gz AXEODFWGMVXHBP-UHFFFAOYSA-N 2 2 346.425 3.096 20 0 EGADLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc5n[nH]cc5c4)C[C@H]3C2)c1 ZINC001140385288 1378055280 /nfs/dbraw/zinc/05/52/80/1378055280.db2.gz ASOQHASCGCNYTP-IRXDYDNUSA-N 2 2 338.480 3.188 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(F)cc(Cl)c1)CC2 ZINC001140538092 1378081108 /nfs/dbraw/zinc/08/11/08/1378081108.db2.gz DUYDCPNMEGYVEO-UHFFFAOYSA-N 2 2 325.815 3.109 20 0 EGADLP c1coc(C[N@H+]2C[C@@H]3C[C@@H](CN(Cc4c[nH]c5cc[nH+]cc45)C3)C2)c1 ZINC001140803096 1378140378 /nfs/dbraw/zinc/14/03/78/1378140378.db2.gz KOODHMBOIMGKRO-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP c1coc(C[N@@H+]2C[C@@H]3C[C@@H](CN(Cc4c[nH]c5cc[nH+]cc45)C3)C2)c1 ZINC001140803096 1378140383 /nfs/dbraw/zinc/14/03/83/1378140383.db2.gz KOODHMBOIMGKRO-IYBDPMFKSA-N 2 2 336.439 3.110 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140805981 1378143448 /nfs/dbraw/zinc/14/34/48/1378143448.db2.gz SCZDOIRUSIYEDX-GJZGRUSLSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001140805981 1378143454 /nfs/dbraw/zinc/14/34/54/1378143454.db2.gz SCZDOIRUSIYEDX-GJZGRUSLSA-N 2 2 342.443 3.147 20 0 EGADLP CS[C@H](C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470361 1378174435 /nfs/dbraw/zinc/17/44/35/1378174435.db2.gz MTBNHVLUYKFDNX-VQIMIIECSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@H](C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470361 1378174440 /nfs/dbraw/zinc/17/44/40/1378174440.db2.gz MTBNHVLUYKFDNX-VQIMIIECSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470361 1378174443 /nfs/dbraw/zinc/17/44/43/1378174443.db2.gz MTBNHVLUYKFDNX-VQIMIIECSA-N 2 2 349.544 3.217 20 0 EGADLP CS[C@H](C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276470361 1378174447 /nfs/dbraw/zinc/17/44/47/1378174447.db2.gz MTBNHVLUYKFDNX-VQIMIIECSA-N 2 2 349.544 3.217 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276576949 1378180185 /nfs/dbraw/zinc/18/01/85/1378180185.db2.gz RQDZGTRDFJWCNY-HXUWFJFHSA-N 3 2 333.495 3.195 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1 ZINC001276576949 1378180187 /nfs/dbraw/zinc/18/01/87/1378180187.db2.gz RQDZGTRDFJWCNY-HXUWFJFHSA-N 3 2 333.495 3.195 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1 ZINC001276576949 1378180189 /nfs/dbraw/zinc/18/01/89/1378180189.db2.gz RQDZGTRDFJWCNY-HXUWFJFHSA-N 3 2 333.495 3.195 20 0 EGADLP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1 ZINC001276576949 1378180192 /nfs/dbraw/zinc/18/01/92/1378180192.db2.gz RQDZGTRDFJWCNY-HXUWFJFHSA-N 3 2 333.495 3.195 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873636 1378190866 /nfs/dbraw/zinc/19/08/66/1378190866.db2.gz YKQWRXSRTMFABO-OAQYLSRUSA-N 2 2 342.531 3.380 20 0 EGADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873636 1378190870 /nfs/dbraw/zinc/19/08/70/1378190870.db2.gz YKQWRXSRTMFABO-OAQYLSRUSA-N 2 2 342.531 3.380 20 0 EGADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873636 1378190874 /nfs/dbraw/zinc/19/08/74/1378190874.db2.gz YKQWRXSRTMFABO-OAQYLSRUSA-N 2 2 342.531 3.380 20 0 EGADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(N4CCCCC4)nc3)C2)C1 ZINC001276873636 1378190878 /nfs/dbraw/zinc/19/08/78/1378190878.db2.gz YKQWRXSRTMFABO-OAQYLSRUSA-N 2 2 342.531 3.380 20 0 EGADLP c1cn2ccc(CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2[nH+]1 ZINC001141049994 1378221231 /nfs/dbraw/zinc/22/12/31/1378221231.db2.gz WAKUSEQCYKKIKW-RTWAWAEBSA-N 2 2 346.478 3.288 20 0 EGADLP c1cn2ccc(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2[nH+]1 ZINC001141049994 1378221238 /nfs/dbraw/zinc/22/12/38/1378221238.db2.gz WAKUSEQCYKKIKW-RTWAWAEBSA-N 2 2 346.478 3.288 20 0 EGADLP CCCCc1nc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c[nH]1 ZINC001141068415 1378228696 /nfs/dbraw/zinc/22/86/96/1378228696.db2.gz IRZWXODREACJGC-UHFFFAOYSA-N 2 2 327.476 3.195 20 0 EGADLP c1cn(-c2cccc(C[N@@H+](Cc3cccnc3)C3CCOCC3)c2)c[nH+]1 ZINC001141242751 1378281028 /nfs/dbraw/zinc/28/10/28/1378281028.db2.gz HKGIOQHSJUXBGB-UHFFFAOYSA-N 2 2 348.450 3.449 20 0 EGADLP c1cn(-c2cccc(C[N@H+](Cc3cccnc3)C3CCOCC3)c2)c[nH+]1 ZINC001141242751 1378281034 /nfs/dbraw/zinc/28/10/34/1378281034.db2.gz HKGIOQHSJUXBGB-UHFFFAOYSA-N 2 2 348.450 3.449 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(OC(F)(F)F)ccc1OC ZINC001144008478 1378671263 /nfs/dbraw/zinc/67/12/63/1378671263.db2.gz FAQALBBVHMASSH-UHFFFAOYSA-N 2 2 334.382 3.367 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC(F)(F)F)ccc1OC ZINC001144008478 1378671266 /nfs/dbraw/zinc/67/12/66/1378671266.db2.gz FAQALBBVHMASSH-UHFFFAOYSA-N 2 2 334.382 3.367 20 0 EGADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144053941 1378675786 /nfs/dbraw/zinc/67/57/86/1378675786.db2.gz PQIQQYOSYVHBPP-UHFFFAOYSA-N 2 2 334.382 3.367 20 0 EGADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144053941 1378675787 /nfs/dbraw/zinc/67/57/87/1378675787.db2.gz PQIQQYOSYVHBPP-UHFFFAOYSA-N 2 2 334.382 3.367 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358232 1379156487 /nfs/dbraw/zinc/15/64/87/1379156487.db2.gz YFMIUCTUDFOXQP-QZTJIDSGSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001148358232 1379156488 /nfs/dbraw/zinc/15/64/88/1379156488.db2.gz YFMIUCTUDFOXQP-QZTJIDSGSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900298 1379294287 /nfs/dbraw/zinc/29/42/87/1379294287.db2.gz YTQMCPPMGLLCRP-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148900298 1379294289 /nfs/dbraw/zinc/29/42/89/1379294289.db2.gz YTQMCPPMGLLCRP-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897840 1380151744 /nfs/dbraw/zinc/15/17/44/1380151744.db2.gz YZZJXTGTHXKUGN-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897840 1380151746 /nfs/dbraw/zinc/15/17/46/1380151746.db2.gz YZZJXTGTHXKUGN-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153897840 1380151748 /nfs/dbraw/zinc/15/17/48/1380151748.db2.gz YZZJXTGTHXKUGN-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@@H+](CCCC1CCCC1)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153897840 1380151751 /nfs/dbraw/zinc/15/17/51/1380151751.db2.gz YZZJXTGTHXKUGN-KBAYOESNSA-N 2 2 346.519 3.310 20 0 EGADLP CC[N@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930144 1380157282 /nfs/dbraw/zinc/15/72/82/1380157282.db2.gz GWPZQYDPNHZUDY-ZWOPJXCPSA-N 2 2 340.899 3.049 20 0 EGADLP CC[N@@H+](C/C=C/Cl)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153930144 1380157283 /nfs/dbraw/zinc/15/72/83/1380157283.db2.gz GWPZQYDPNHZUDY-ZWOPJXCPSA-N 2 2 340.899 3.049 20 0 EGADLP CC[N@H+](CCCCCF)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015475 1380179502 /nfs/dbraw/zinc/17/95/02/1380179502.db2.gz KCQMZFDSRJIXHS-CQSZACIVSA-N 2 2 334.439 3.143 20 0 EGADLP CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015475 1380179505 /nfs/dbraw/zinc/17/95/05/1380179505.db2.gz KCQMZFDSRJIXHS-CQSZACIVSA-N 2 2 334.439 3.143 20 0 EGADLP Fc1ccc2c(Cl)ncnc2c1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063679 1380401170 /nfs/dbraw/zinc/40/11/70/1380401170.db2.gz WYWBSIVNOKGIHZ-UHFFFAOYSA-N 2 2 331.782 3.075 20 0 EGADLP CC[N@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189917 1380422048 /nfs/dbraw/zinc/42/20/48/1380422048.db2.gz ZHECOHSXEMOGHL-HUUCEWRRSA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155189917 1380422049 /nfs/dbraw/zinc/42/20/49/1380422049.db2.gz ZHECOHSXEMOGHL-HUUCEWRRSA-N 2 2 334.508 3.092 20 0 EGADLP CC[N@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193846 1380422460 /nfs/dbraw/zinc/42/24/60/1380422460.db2.gz RRMWXLJLXSATQG-WBVHZDCISA-N 2 2 346.519 3.237 20 0 EGADLP CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155193846 1380422461 /nfs/dbraw/zinc/42/24/61/1380422461.db2.gz RRMWXLJLXSATQG-WBVHZDCISA-N 2 2 346.519 3.237 20 0 EGADLP CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155192863 1380422474 /nfs/dbraw/zinc/42/24/74/1380422474.db2.gz CUXREZJOAIGSJE-HZPDHXFCSA-N 2 2 334.508 3.237 20 0 EGADLP CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155192863 1380422475 /nfs/dbraw/zinc/42/24/75/1380422475.db2.gz CUXREZJOAIGSJE-HZPDHXFCSA-N 2 2 334.508 3.237 20 0 EGADLP CC[N@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155471392 1380457089 /nfs/dbraw/zinc/45/70/89/1380457089.db2.gz WXRJYJOLVKVBQH-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CCC1CCCCCC1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155471392 1380457090 /nfs/dbraw/zinc/45/70/90/1380457090.db2.gz WXRJYJOLVKVBQH-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP Cc1nc(NCc2noc3c2C[NH2+]CC3)cc(C2CCCCC2)[nH+]1 ZINC001155497042 1380460608 /nfs/dbraw/zinc/46/06/08/1380460608.db2.gz BXHZJUPFVGRMON-UHFFFAOYSA-N 2 2 327.432 3.079 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751561 1380488974 /nfs/dbraw/zinc/48/89/74/1380488974.db2.gz PEJHGBILWQBZDJ-DLBZAZTESA-N 2 2 346.519 3.305 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751561 1380488975 /nfs/dbraw/zinc/48/89/75/1380488975.db2.gz PEJHGBILWQBZDJ-DLBZAZTESA-N 2 2 346.519 3.305 20 0 EGADLP CC[N@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751561 1380488976 /nfs/dbraw/zinc/48/89/76/1380488976.db2.gz PEJHGBILWQBZDJ-DLBZAZTESA-N 2 2 346.519 3.305 20 0 EGADLP CC[N@@H+](CCC1=CCCCC1)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751561 1380488977 /nfs/dbraw/zinc/48/89/77/1380488977.db2.gz PEJHGBILWQBZDJ-DLBZAZTESA-N 2 2 346.519 3.305 20 0 EGADLP C[NH+](C)C1(CNc2nccc3c(Cl)cccc32)CC[NH+](C)CC1 ZINC001156182485 1380537736 /nfs/dbraw/zinc/53/77/36/1380537736.db2.gz VWIGYIGRZBXXQP-UHFFFAOYSA-N 2 2 332.879 3.326 20 0 EGADLP COc1cc2ccc(NCC[C@@H]3CCC[N@H+](C)C3)[nH+]c2cc1OC ZINC001156389817 1380569919 /nfs/dbraw/zinc/56/99/19/1380569919.db2.gz SUJFRESHKZWSLI-AWEZNQCLSA-N 2 2 329.444 3.396 20 0 EGADLP COc1cc2ccc(NCC[C@@H]3CCC[N@@H+](C)C3)[nH+]c2cc1OC ZINC001156389817 1380569922 /nfs/dbraw/zinc/56/99/22/1380569922.db2.gz SUJFRESHKZWSLI-AWEZNQCLSA-N 2 2 329.444 3.396 20 0 EGADLP CCCC[NH+](CCCC)CCNc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001156905792 1380722729 /nfs/dbraw/zinc/72/27/29/1380722729.db2.gz ZFDDAQUYHZOKGY-UHFFFAOYSA-N 2 2 347.463 3.010 20 0 EGADLP C[NH+](C)Cc1nc(CSCCNc2ccc3c([nH+]2)CCC3)cs1 ZINC001157336721 1380844150 /nfs/dbraw/zinc/84/41/50/1380844150.db2.gz QBWJLTZSCWDGNA-UHFFFAOYSA-N 2 2 348.541 3.434 20 0 EGADLP CCN(CCn1cc[nH+]c1)c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001157466155 1380918498 /nfs/dbraw/zinc/91/84/98/1380918498.db2.gz IAPIIUHIEMDDRJ-SFHVURJKSA-N 2 2 327.476 3.352 20 0 EGADLP CCN(CCn1cc[nH+]c1)c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC001157466155 1380918526 /nfs/dbraw/zinc/91/85/26/1380918526.db2.gz IAPIIUHIEMDDRJ-SFHVURJKSA-N 2 2 327.476 3.352 20 0 EGADLP C[N@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879950 1381057035 /nfs/dbraw/zinc/05/70/35/1381057035.db2.gz DESXHQWUROBCKY-MRXNPFEDSA-N 2 2 334.508 3.091 20 0 EGADLP C[N@@H+](CCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157879950 1381057040 /nfs/dbraw/zinc/05/70/40/1381057040.db2.gz DESXHQWUROBCKY-MRXNPFEDSA-N 2 2 334.508 3.091 20 0 EGADLP [NH3+][C@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1)c1ccc2ccccc2c1 ZINC001157971275 1381088433 /nfs/dbraw/zinc/08/84/33/1381088433.db2.gz WVZKZEHOYYMPSF-SFTDATJTSA-N 2 2 345.446 3.013 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090181 1381125284 /nfs/dbraw/zinc/12/52/84/1381125284.db2.gz NALJIDQYTHFPLG-KZNAEPCWSA-N 2 2 346.519 3.406 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001158090181 1381125288 /nfs/dbraw/zinc/12/52/88/1381125288.db2.gz NALJIDQYTHFPLG-KZNAEPCWSA-N 2 2 346.519 3.406 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090181 1381125295 /nfs/dbraw/zinc/12/52/95/1381125295.db2.gz NALJIDQYTHFPLG-KZNAEPCWSA-N 2 2 346.519 3.406 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001158090181 1381125297 /nfs/dbraw/zinc/12/52/97/1381125297.db2.gz NALJIDQYTHFPLG-KZNAEPCWSA-N 2 2 346.519 3.406 20 0 EGADLP Cc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc2c(Cl)cccc12 ZINC001158260410 1381176523 /nfs/dbraw/zinc/17/65/23/1381176523.db2.gz DMAUVDNGMQJDOR-CQSZACIVSA-N 2 2 344.890 3.198 20 0 EGADLP Cc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc2c(Cl)cccc12 ZINC001158260410 1381176528 /nfs/dbraw/zinc/17/65/28/1381176528.db2.gz DMAUVDNGMQJDOR-CQSZACIVSA-N 2 2 344.890 3.198 20 0 EGADLP CCC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296631 1381188786 /nfs/dbraw/zinc/18/87/86/1381188786.db2.gz QYVMZFCQEVIGRT-SFFCAUCYSA-N 2 2 346.519 3.333 20 0 EGADLP CCC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296631 1381188793 /nfs/dbraw/zinc/18/87/93/1381188793.db2.gz QYVMZFCQEVIGRT-SFFCAUCYSA-N 2 2 346.519 3.333 20 0 EGADLP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296482 1381189178 /nfs/dbraw/zinc/18/91/78/1381189178.db2.gz MDZRWADYCIDFGU-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296482 1381189180 /nfs/dbraw/zinc/18/91/80/1381189180.db2.gz MDZRWADYCIDFGU-GOSISDBHSA-N 2 2 348.535 3.412 20 0 EGADLP COC(=O)C[C@H](c1cc[nH+]c(NC(C)(C)CC[NH+](C)C)c1)C1CC1 ZINC001158760697 1381387199 /nfs/dbraw/zinc/38/71/99/1381387199.db2.gz JTXACKPQPRCJPC-INIZCTEOSA-N 2 2 333.476 3.281 20 0 EGADLP CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc4c(c3)CC[NH2+]C4)c2c1 ZINC001159304078 1381756756 /nfs/dbraw/zinc/75/67/56/1381756756.db2.gz OVFPYIBSZIOBBD-UHFFFAOYSA-N 2 2 347.418 3.223 20 0 EGADLP FC(F)(F)Oc1cc[nH+]c(Nc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001159415845 1381790636 /nfs/dbraw/zinc/79/06/36/1381790636.db2.gz BSJLWYFRZAVZKC-UHFFFAOYSA-N 2 2 338.333 3.133 20 0 EGADLP CCCCCC[N@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159971967 1381954614 /nfs/dbraw/zinc/95/46/14/1381954614.db2.gz DXBULYOJDMJDDN-UHFFFAOYSA-N 2 2 332.492 3.061 20 0 EGADLP CCCCCC[N@@H+]1CC=C(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001159971967 1381954617 /nfs/dbraw/zinc/95/46/17/1381954617.db2.gz DXBULYOJDMJDDN-UHFFFAOYSA-N 2 2 332.492 3.061 20 0 EGADLP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001160134928 1382010157 /nfs/dbraw/zinc/01/01/57/1382010157.db2.gz UUSYRBBYZJRBFM-UHFFFAOYSA-N 2 2 326.375 3.348 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330643 1382075514 /nfs/dbraw/zinc/07/55/14/1382075514.db2.gz FJRQIEKHNZFYOE-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001160330643 1382075521 /nfs/dbraw/zinc/07/55/21/1382075521.db2.gz FJRQIEKHNZFYOE-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330643 1382075528 /nfs/dbraw/zinc/07/55/28/1382075528.db2.gz FJRQIEKHNZFYOE-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC=C(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001160330643 1382075531 /nfs/dbraw/zinc/07/55/31/1382075531.db2.gz FJRQIEKHNZFYOE-UHFFFAOYSA-N 2 2 346.519 3.307 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001160533996 1382134428 /nfs/dbraw/zinc/13/44/28/1382134428.db2.gz FALOTOYAYUIMRK-IEBWSBKVSA-N 2 2 342.487 3.327 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001160991181 1382265105 /nfs/dbraw/zinc/26/51/05/1382265105.db2.gz OEMOYVYIRTUJGP-OAHLLOKOSA-N 2 2 336.439 3.342 20 0 EGADLP CCCc1cc(NC2CC[NH+](Cc3ccncc3)CC2)nc(C)[nH+]1 ZINC001161104392 1382298071 /nfs/dbraw/zinc/29/80/71/1382298071.db2.gz QLHDOWLRKFAYAN-UHFFFAOYSA-N 2 2 325.460 3.209 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434182 1382409138 /nfs/dbraw/zinc/40/91/38/1382409138.db2.gz NOSMLJDLFOXDMX-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434182 1382409140 /nfs/dbraw/zinc/40/91/40/1382409140.db2.gz NOSMLJDLFOXDMX-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434182 1382409147 /nfs/dbraw/zinc/40/91/47/1382409147.db2.gz NOSMLJDLFOXDMX-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434182 1382409149 /nfs/dbraw/zinc/40/91/49/1382409149.db2.gz NOSMLJDLFOXDMX-KRWDZBQOSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434860 1382409541 /nfs/dbraw/zinc/40/95/41/1382409541.db2.gz YTWRDTNVGPSVOB-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434860 1382409545 /nfs/dbraw/zinc/40/95/45/1382409545.db2.gz YTWRDTNVGPSVOB-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434860 1382409548 /nfs/dbraw/zinc/40/95/48/1382409548.db2.gz YTWRDTNVGPSVOB-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434860 1382409555 /nfs/dbraw/zinc/40/95/55/1382409555.db2.gz YTWRDTNVGPSVOB-MRXNPFEDSA-N 2 2 346.519 3.163 20 0 EGADLP CCOC(=O)c1c(C)cc(N2CCC([NH3+])(CC3CCC3)CC2)[nH+]c1C ZINC001161576362 1382444236 /nfs/dbraw/zinc/44/42/36/1382444236.db2.gz MIJPBABRJSTBFB-UHFFFAOYSA-N 2 2 345.487 3.363 20 0 EGADLP Cc1cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)nc(C2CC2)[nH+]1 ZINC001161990565 1382591922 /nfs/dbraw/zinc/59/19/22/1382591922.db2.gz SHRWKEYABDOCOL-UHFFFAOYSA-N 2 2 340.446 3.342 20 0 EGADLP CC(C)n1ccc(Nc2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cc1=O ZINC001162079667 1382622151 /nfs/dbraw/zinc/62/21/51/1382622151.db2.gz OWIARIPLKFBOCV-UHFFFAOYSA-N 2 2 342.443 3.041 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001162457147 1382761930 /nfs/dbraw/zinc/76/19/30/1382761930.db2.gz MYRUGSDKLXKUTR-QWRGUYRKSA-N 2 2 337.265 3.373 20 0 EGADLP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001162457147 1382761931 /nfs/dbraw/zinc/76/19/31/1382761931.db2.gz MYRUGSDKLXKUTR-QWRGUYRKSA-N 2 2 337.265 3.373 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCCc2ccsc2)c(C)[nH+]1 ZINC001162909527 1382912337 /nfs/dbraw/zinc/91/23/37/1382912337.db2.gz AJWCTNUPAVQKFE-UHFFFAOYSA-N 2 2 345.512 3.411 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+][C@@H](C)c2ccccc2)c(C)[nH+]1 ZINC001162916952 1382916388 /nfs/dbraw/zinc/91/63/88/1382916388.db2.gz FUFIVTSTYMBUBW-INIZCTEOSA-N 2 2 325.456 3.478 20 0 EGADLP FC(F)(F)c1cccc2cc[nH+]c(N[C@H]3COCCC34C[NH2+]C4)c21 ZINC001163069958 1382959513 /nfs/dbraw/zinc/95/95/13/1382959513.db2.gz SCFIRAMOHANKTO-ZDUSSCGKSA-N 2 2 337.345 3.044 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC001328716263 1388821759 /nfs/dbraw/zinc/82/17/59/1388821759.db2.gz HEEPIWMDLZVIDZ-OQIJWPOYSA-N 2 2 331.508 3.004 20 0 EGADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)[C@H](n2cncn2)C1 ZINC001328716263 1388821764 /nfs/dbraw/zinc/82/17/64/1388821764.db2.gz HEEPIWMDLZVIDZ-OQIJWPOYSA-N 2 2 331.508 3.004 20 0 EGADLP c1ccc(-c2[nH]c3ccc(NCc4noc5c4C[NH2+]CC5)cc3[nH+]2)cc1 ZINC001163134993 1382973643 /nfs/dbraw/zinc/97/36/43/1382973643.db2.gz NHHXHNMBOMRNQT-UHFFFAOYSA-N 2 2 345.406 3.476 20 0 EGADLP c1[nH+]c2cc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)ccc2n1-c1ccccc1 ZINC001163320949 1383021822 /nfs/dbraw/zinc/02/18/22/1383021822.db2.gz AWPKFAVDHISPEQ-LAUBAEHRSA-N 2 2 348.450 3.349 20 0 EGADLP CSCc1cc[nH+]c(N2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001163882783 1383132457 /nfs/dbraw/zinc/13/24/57/1383132457.db2.gz JNKIXHLCUKWSND-UHFFFAOYSA-N 2 2 349.544 3.273 20 0 EGADLP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cc[nH+]c(N2CCCC2)n1 ZINC001163897397 1383133973 /nfs/dbraw/zinc/13/39/73/1383133973.db2.gz MIELBBNBONFAQU-UHFFFAOYSA-N 2 2 327.819 3.133 20 0 EGADLP c1ccc([C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)c2ccncc2)cc1 ZINC001164068192 1383152716 /nfs/dbraw/zinc/15/27/16/1383152716.db2.gz NXJWPJQZXOEXOR-FQEVSTJZSA-N 2 2 345.450 3.088 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCCSCc3ccco3)c2)C1 ZINC001164227289 1383168492 /nfs/dbraw/zinc/16/84/92/1383168492.db2.gz GCPKAXQKAIRESE-MRXNPFEDSA-N 2 2 331.485 3.158 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCCSCc3ccco3)c2)C1 ZINC001164227289 1383168494 /nfs/dbraw/zinc/16/84/94/1383168494.db2.gz GCPKAXQKAIRESE-MRXNPFEDSA-N 2 2 331.485 3.158 20 0 EGADLP C[N@@H+]1CCC[C@H](CCNc2cc[nH+]c(OCc3ccccn3)c2)C1 ZINC001165301291 1383269280 /nfs/dbraw/zinc/26/92/80/1383269280.db2.gz ZNUNPTDUXPEXDB-MRXNPFEDSA-N 2 2 326.444 3.199 20 0 EGADLP C[N@H+]1CCC[C@H](CCNc2cc[nH+]c(OCc3ccccn3)c2)C1 ZINC001165301291 1383269282 /nfs/dbraw/zinc/26/92/82/1383269282.db2.gz ZNUNPTDUXPEXDB-MRXNPFEDSA-N 2 2 326.444 3.199 20 0 EGADLP CCOC(=O)c1c(C)cc(N2CCCC[C@H]2C2CC[NH2+]CC2)[nH+]c1C ZINC001165322561 1383272614 /nfs/dbraw/zinc/27/26/14/1383272614.db2.gz CVXGVECHJDORJF-KRWDZBQOSA-N 2 2 345.487 3.234 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCCC[C@H]3C3CC[NH2+]CC3)nc[nH+]2)C1 ZINC001165323013 1383273027 /nfs/dbraw/zinc/27/30/27/1383273027.db2.gz MZYRGAMZCGOJLS-WMZOPIPTSA-N 2 2 343.519 3.071 20 0 EGADLP C[C@H]1CCCN(c2cc(N3CCCC[C@H]3C3CC[NH2+]CC3)[nH+]cn2)C1 ZINC001165323013 1383273029 /nfs/dbraw/zinc/27/30/29/1383273029.db2.gz MZYRGAMZCGOJLS-WMZOPIPTSA-N 2 2 343.519 3.071 20 0 EGADLP Cc1cc2cc[nH]c2c(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001165325801 1383273391 /nfs/dbraw/zinc/27/33/91/1383273391.db2.gz DQCUJLPQKZZIEL-UHFFFAOYSA-N 2 2 336.439 3.316 20 0 EGADLP Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2[nH+]ccn2c1 ZINC001165384529 1383283828 /nfs/dbraw/zinc/28/38/28/1383283828.db2.gz LMVRERGLGDNYHN-UHFFFAOYSA-N 2 2 336.439 3.087 20 0 EGADLP FC(F)Oc1cc[nH+]c(NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001165413770 1383290796 /nfs/dbraw/zinc/29/07/96/1383290796.db2.gz VRNKUVYMSPBVTF-UHFFFAOYSA-N 2 2 349.381 3.127 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2(C[NH2+]C/C=C/Cl)CC2)c(C)[nH+]1 ZINC001166301884 1383410221 /nfs/dbraw/zinc/41/02/21/1383410221.db2.gz RTVZVEZTFDZPGX-XBXARRHUSA-N 2 2 335.879 3.249 20 0 EGADLP CCCc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001167429287 1383631797 /nfs/dbraw/zinc/63/17/97/1383631797.db2.gz QTLCKSUOKAUMLU-QGZVFWFLSA-N 2 2 342.487 3.083 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(Cl)c1 ZINC001167429771 1383632198 /nfs/dbraw/zinc/63/21/98/1383632198.db2.gz XFGVJHANWZUZHS-LSDHHAIUSA-N 2 2 348.878 3.345 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001167435524 1383633238 /nfs/dbraw/zinc/63/32/38/1383633238.db2.gz CUCMLIYYSGUPIQ-LSDHHAIUSA-N 2 2 348.878 3.345 20 0 EGADLP Cc1[nH+]c(N)ccc1CNc1[nH+]ccc(NC(=O)C(C)(C)C)c1C ZINC001167785618 1383740648 /nfs/dbraw/zinc/74/06/48/1383740648.db2.gz WABKBPLNUFCCNP-UHFFFAOYSA-N 2 2 327.432 3.272 20 0 EGADLP Cn1c[nH+]cc1-c1cccc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1 ZINC001167987365 1383788508 /nfs/dbraw/zinc/78/85/08/1383788508.db2.gz MCNINWWQIGJSAS-UHFFFAOYSA-N 2 2 332.407 3.238 20 0 EGADLP Fc1cccc(Cn2cncc2C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168365175 1383884298 /nfs/dbraw/zinc/88/42/98/1383884298.db2.gz NDGCCGMTXWDPAG-UHFFFAOYSA-N 2 2 342.462 3.035 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168655546 1383959762 /nfs/dbraw/zinc/95/97/62/1383959762.db2.gz ZCJLCUYPXWQDFF-QUCCMNQESA-N 2 2 332.488 3.331 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168655546 1383959765 /nfs/dbraw/zinc/95/97/65/1383959765.db2.gz ZCJLCUYPXWQDFF-QUCCMNQESA-N 2 2 332.488 3.331 20 0 EGADLP COC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001168767302 1383996115 /nfs/dbraw/zinc/99/61/15/1383996115.db2.gz ARUOBWSJKIQWAO-SCCNAQOGSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001168767302 1383996119 /nfs/dbraw/zinc/99/61/19/1383996119.db2.gz ARUOBWSJKIQWAO-SCCNAQOGSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC001307880922 1384048848 /nfs/dbraw/zinc/04/88/48/1384048848.db2.gz SLWNKYDHANOMBO-UHFFFAOYSA-N 2 2 329.444 3.344 20 0 EGADLP CCOC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C(C)C ZINC001307880922 1384048853 /nfs/dbraw/zinc/04/88/53/1384048853.db2.gz SLWNKYDHANOMBO-UHFFFAOYSA-N 2 2 329.444 3.344 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC001308176549 1384105836 /nfs/dbraw/zinc/10/58/36/1384105836.db2.gz LJMBJKFHLNLJCM-BVYCBKJFSA-N 2 2 337.511 3.399 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H](c1ccccc1)[NH+](C)C ZINC001308176549 1384105839 /nfs/dbraw/zinc/10/58/39/1384105839.db2.gz LJMBJKFHLNLJCM-BVYCBKJFSA-N 2 2 337.511 3.399 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1cccc(Cl)c1)C2 ZINC001169109359 1384108064 /nfs/dbraw/zinc/10/80/64/1384108064.db2.gz BDQKVGCUXKDDRR-BCDXTJNWSA-N 2 2 344.890 3.300 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncn1Cc1cccc(Cl)c1)C2 ZINC001169109359 1384108066 /nfs/dbraw/zinc/10/80/66/1384108066.db2.gz BDQKVGCUXKDDRR-BCDXTJNWSA-N 2 2 344.890 3.300 20 0 EGADLP COC(=O)[C@H](C)c1ccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001169144878 1384113873 /nfs/dbraw/zinc/11/38/73/1384113873.db2.gz ODMYVSYTQJNJES-ZXYWRSMDSA-N 2 2 333.476 3.314 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001308282743 1384116055 /nfs/dbraw/zinc/11/60/55/1384116055.db2.gz MWYXNACMOSLHGS-CTNGQTDRSA-N 2 2 342.458 3.107 20 0 EGADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC001308282743 1384116058 /nfs/dbraw/zinc/11/60/58/1384116058.db2.gz MWYXNACMOSLHGS-CTNGQTDRSA-N 2 2 342.458 3.107 20 0 EGADLP O=C1OCCN1c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001308344218 1384120621 /nfs/dbraw/zinc/12/06/21/1384120621.db2.gz YQBPEYLEGDLUIE-UHFFFAOYSA-N 2 2 348.406 3.119 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC001169211883 1384123180 /nfs/dbraw/zinc/12/31/80/1384123180.db2.gz LTMPMPQIQAXMAN-OAHLLOKOSA-N 2 2 342.487 3.107 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCC(C)CC2)cc1OC ZINC001308863509 1384155489 /nfs/dbraw/zinc/15/54/89/1384155489.db2.gz BXWHCVRYUJISAE-SJORKVTESA-N 2 2 334.504 3.345 20 0 EGADLP O=C(NCCC[NH2+]CC1=CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022521 1384219638 /nfs/dbraw/zinc/21/96/38/1384219638.db2.gz AZSOUTDWCDPSCC-UHFFFAOYSA-N 2 2 338.455 3.082 20 0 EGADLP O=C(NCCC[NH2+]CCCC1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001170022612 1384219833 /nfs/dbraw/zinc/21/98/33/1384219833.db2.gz GFYXIFNXPBIVBR-UHFFFAOYSA-N 2 2 340.471 3.162 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170482170 1384327680 /nfs/dbraw/zinc/32/76/80/1384327680.db2.gz BQXQVYQBKFRPCF-INIZCTEOSA-N 2 2 334.508 3.187 20 0 EGADLP COC(=O)c1ccc(C(=[NH2+])Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1 ZINC001170983637 1384423814 /nfs/dbraw/zinc/42/38/14/1384423814.db2.gz CUUDMNOCGTYCCY-UHFFFAOYSA-N 2 2 349.390 3.198 20 0 EGADLP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001171334941 1384496599 /nfs/dbraw/zinc/49/65/99/1384496599.db2.gz WWELIEKCQRZMKL-OAHLLOKOSA-N 2 2 334.891 3.376 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358454 1384500962 /nfs/dbraw/zinc/50/09/62/1384500962.db2.gz HCZJVCIQKJJVAZ-GVDBMIGSSA-N 2 2 334.508 3.214 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358454 1384500968 /nfs/dbraw/zinc/50/09/68/1384500968.db2.gz HCZJVCIQKJJVAZ-GVDBMIGSSA-N 2 2 334.508 3.214 20 0 EGADLP CC(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001171410954 1384515480 /nfs/dbraw/zinc/51/54/80/1384515480.db2.gz ZCVQDBWRFDNQQW-ZWKOTPCHSA-N 2 2 336.524 3.391 20 0 EGADLP C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171527402 1384551822 /nfs/dbraw/zinc/55/18/22/1384551822.db2.gz MTFFXAXRCNSIDU-WXJAXGNASA-N 2 2 334.851 3.194 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C1)C2 ZINC001171566301 1384565408 /nfs/dbraw/zinc/56/54/08/1384565408.db2.gz HWVHAUQMQPJCRE-SJBKTWHCSA-N 2 2 347.506 3.311 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001171577748 1384569972 /nfs/dbraw/zinc/56/99/72/1384569972.db2.gz WFSGCNFYHDFERL-ZWKOTPCHSA-N 2 2 348.535 3.146 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001171596120 1384574070 /nfs/dbraw/zinc/57/40/70/1384574070.db2.gz KSUAYBQITRVMOB-ROUUACIJSA-N 2 2 348.535 3.290 20 0 EGADLP CC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001171605005 1384577216 /nfs/dbraw/zinc/57/72/16/1384577216.db2.gz LRYADWGEHOGYLT-JTDRTSHGSA-N 2 2 346.519 3.066 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171605742 1384577640 /nfs/dbraw/zinc/57/76/40/1384577640.db2.gz QLSFNDYCDNDMQN-QZTJIDSGSA-N 2 2 348.535 3.146 20 0 EGADLP CC[NH+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171830686 1384654410 /nfs/dbraw/zinc/65/44/10/1384654410.db2.gz YPRROUUGLBYMFA-MRXNPFEDSA-N 2 2 339.524 3.240 20 0 EGADLP c1cn(CCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c[nH+]1 ZINC001172068018 1384715685 /nfs/dbraw/zinc/71/56/85/1384715685.db2.gz PMPAKKPJHYGKOB-MZADTFQBSA-N 3 2 338.499 3.449 20 0 EGADLP c1cn(CCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH+]1 ZINC001172068018 1384715687 /nfs/dbraw/zinc/71/56/87/1384715687.db2.gz PMPAKKPJHYGKOB-MZADTFQBSA-N 3 2 338.499 3.449 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067050 1384715841 /nfs/dbraw/zinc/71/58/41/1384715841.db2.gz ABVRNXXIZRABME-XKRYSZRTSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067050 1384715844 /nfs/dbraw/zinc/71/58/44/1384715844.db2.gz ABVRNXXIZRABME-XKRYSZRTSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067050 1384715848 /nfs/dbraw/zinc/71/58/48/1384715848.db2.gz ABVRNXXIZRABME-XKRYSZRTSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067050 1384715853 /nfs/dbraw/zinc/71/58/53/1384715853.db2.gz ABVRNXXIZRABME-XKRYSZRTSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067046 1384716674 /nfs/dbraw/zinc/71/66/74/1384716674.db2.gz ABVRNXXIZRABME-SSSFQFABSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172067046 1384716677 /nfs/dbraw/zinc/71/66/77/1384716677.db2.gz ABVRNXXIZRABME-SSSFQFABSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172067046 1384716679 /nfs/dbraw/zinc/71/66/79/1384716679.db2.gz ABVRNXXIZRABME-SSSFQFABSA-N 2 2 346.490 3.224 20 0 EGADLP OC[C@@H]1C[C@@H](F)C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067046 1384716682 /nfs/dbraw/zinc/71/66/82/1384716682.db2.gz ABVRNXXIZRABME-SSSFQFABSA-N 2 2 346.490 3.224 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113568 1384731852 /nfs/dbraw/zinc/73/18/52/1384731852.db2.gz KMWUYYYXDKJPTP-AYWYSENESA-N 3 2 331.548 3.412 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CC=CCC3)CC1)C2 ZINC001172113568 1384731859 /nfs/dbraw/zinc/73/18/59/1384731859.db2.gz KMWUYYYXDKJPTP-AYWYSENESA-N 3 2 331.548 3.412 20 0 EGADLP COCCC[NH+]1CCC([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001172249671 1384756183 /nfs/dbraw/zinc/75/61/83/1384756183.db2.gz MQTHXVNCHJNBFT-UHFFFAOYSA-N 2 2 344.499 3.082 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001172322272 1384769609 /nfs/dbraw/zinc/76/96/09/1384769609.db2.gz SRDOMJOAXNOPDU-ROUUACIJSA-N 2 2 334.504 3.202 20 0 EGADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC001172361732 1384777829 /nfs/dbraw/zinc/77/78/29/1384777829.db2.gz LQKKZCCMICJXGM-WSTZPKSXSA-N 2 2 346.515 3.312 20 0 EGADLP CC(C)OCC[C@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001172451814 1384795230 /nfs/dbraw/zinc/79/52/30/1384795230.db2.gz NPGZCBWNJDRCJW-ZWKOTPCHSA-N 2 2 347.503 3.003 20 0 EGADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CCOCC(C)C ZINC001172467855 1384799216 /nfs/dbraw/zinc/79/92/16/1384799216.db2.gz MRZIIMKDLDHXMX-HLAWJBBLSA-N 2 2 348.531 3.317 20 0 EGADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C)CCOCC(C)C ZINC001172467855 1384799220 /nfs/dbraw/zinc/79/92/20/1384799220.db2.gz MRZIIMKDLDHXMX-HLAWJBBLSA-N 2 2 348.531 3.317 20 0 EGADLP CC[N@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172962856 1384890996 /nfs/dbraw/zinc/89/09/96/1384890996.db2.gz CCCFGDCXTHVQQE-OAHLLOKOSA-N 2 2 327.513 3.048 20 0 EGADLP CC[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172962856 1384891001 /nfs/dbraw/zinc/89/10/01/1384891001.db2.gz CCCFGDCXTHVQQE-OAHLLOKOSA-N 2 2 327.513 3.048 20 0 EGADLP CC[N@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172962853 1384891459 /nfs/dbraw/zinc/89/14/59/1384891459.db2.gz CCCFGDCXTHVQQE-HNNXBMFYSA-N 2 2 327.513 3.048 20 0 EGADLP CC[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001172962853 1384891463 /nfs/dbraw/zinc/89/14/63/1384891463.db2.gz CCCFGDCXTHVQQE-HNNXBMFYSA-N 2 2 327.513 3.048 20 0 EGADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172974160 1384893727 /nfs/dbraw/zinc/89/37/27/1384893727.db2.gz HKKXCEXNMNQPGE-HUUCEWRRSA-N 2 2 336.480 3.168 20 0 EGADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068845 1384906546 /nfs/dbraw/zinc/90/65/46/1384906546.db2.gz HFZNDDNEWAEHAO-NVXWUHKLSA-N 2 2 339.524 3.191 20 0 EGADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173068845 1384906548 /nfs/dbraw/zinc/90/65/48/1384906548.db2.gz HFZNDDNEWAEHAO-NVXWUHKLSA-N 2 2 339.524 3.191 20 0 EGADLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173672066 1385001118 /nfs/dbraw/zinc/00/11/18/1385001118.db2.gz SSORKDNDBHWSOJ-UHFFFAOYSA-N 2 2 347.469 3.352 20 0 EGADLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173672066 1385001124 /nfs/dbraw/zinc/00/11/24/1385001124.db2.gz SSORKDNDBHWSOJ-UHFFFAOYSA-N 2 2 347.469 3.352 20 0 EGADLP Cc1[nH]c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)[nH+]c1C ZINC001174749035 1385143758 /nfs/dbraw/zinc/14/37/58/1385143758.db2.gz CSIXHVQWTRINRP-LJQANCHMSA-N 2 2 326.488 3.369 20 0 EGADLP Cc1[nH]c(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)[nH+]c1C ZINC001174749035 1385143761 /nfs/dbraw/zinc/14/37/61/1385143761.db2.gz CSIXHVQWTRINRP-LJQANCHMSA-N 2 2 326.488 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001317555327 1385321889 /nfs/dbraw/zinc/32/18/89/1385321889.db2.gz NQCIABVGWNMPDO-MRXNPFEDSA-N 2 2 348.450 3.290 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001317555327 1385321893 /nfs/dbraw/zinc/32/18/93/1385321893.db2.gz NQCIABVGWNMPDO-MRXNPFEDSA-N 2 2 348.450 3.290 20 0 EGADLP CC[N@H+](C)c1ccc(Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC001175814586 1385413105 /nfs/dbraw/zinc/41/31/05/1385413105.db2.gz OYMYTPIIQDPZMU-UHFFFAOYSA-N 2 2 340.471 3.178 20 0 EGADLP CC[N@@H+](C)c1ccc(Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC001175814586 1385413107 /nfs/dbraw/zinc/41/31/07/1385413107.db2.gz OYMYTPIIQDPZMU-UHFFFAOYSA-N 2 2 340.471 3.178 20 0 EGADLP COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175860859 1385424857 /nfs/dbraw/zinc/42/48/57/1385424857.db2.gz CPLYSRYNIYFSFV-KRWDZBQOSA-N 2 2 341.455 3.346 20 0 EGADLP COC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001175860859 1385424859 /nfs/dbraw/zinc/42/48/59/1385424859.db2.gz CPLYSRYNIYFSFV-KRWDZBQOSA-N 2 2 341.455 3.346 20 0 EGADLP CCC/C=C\CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001176350669 1385559666 /nfs/dbraw/zinc/55/96/66/1385559666.db2.gz JNXTWVGDVFMKDR-WLMCBFPDSA-N 2 2 334.508 3.272 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CCCCCC1 ZINC001176350779 1385560171 /nfs/dbraw/zinc/56/01/71/1385560171.db2.gz KCNKAHQRXBHHCB-INIZCTEOSA-N 2 2 348.535 3.496 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC2(CCC2)C1 ZINC001176352023 1385560855 /nfs/dbraw/zinc/56/08/55/1385560855.db2.gz YTYDBSKFRZHKAO-HNNXBMFYSA-N 2 2 346.519 3.106 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317993958 1385605110 /nfs/dbraw/zinc/60/51/10/1385605110.db2.gz GYWHTNYJGWXSPV-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317993958 1385605116 /nfs/dbraw/zinc/60/51/16/1385605116.db2.gz GYWHTNYJGWXSPV-MJGOQNOKSA-N 2 2 340.471 3.005 20 0 EGADLP CCc1ccccc1OCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001318477592 1385712425 /nfs/dbraw/zinc/71/24/25/1385712425.db2.gz LCXRBSCBUDAFTF-UHFFFAOYSA-N 2 2 336.395 3.156 20 0 EGADLP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339788 1385919543 /nfs/dbraw/zinc/91/95/43/1385919543.db2.gz PIQYDVKTZWTOOL-KRWDZBQOSA-N 2 2 348.535 3.387 20 0 EGADLP CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339788 1385919545 /nfs/dbraw/zinc/91/95/45/1385919545.db2.gz PIQYDVKTZWTOOL-KRWDZBQOSA-N 2 2 348.535 3.387 20 0 EGADLP C[C@H](CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)n1cc[nH+]c1 ZINC001177430973 1385953572 /nfs/dbraw/zinc/95/35/72/1385953572.db2.gz FPQHEJLDSQRGEA-QGZVFWFLSA-N 2 2 346.519 3.243 20 0 EGADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC001319103242 1385960881 /nfs/dbraw/zinc/96/08/81/1385960881.db2.gz GHEMUBWVQKZQRT-GOSISDBHSA-N 2 2 327.428 3.180 20 0 EGADLP CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC001319103242 1385960886 /nfs/dbraw/zinc/96/08/86/1385960886.db2.gz GHEMUBWVQKZQRT-GOSISDBHSA-N 2 2 327.428 3.180 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC001177466662 1385966639 /nfs/dbraw/zinc/96/66/39/1385966639.db2.gz AMNRQNCPSUAVOY-QGZVFWFLSA-N 2 2 348.535 3.007 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001178536523 1386243066 /nfs/dbraw/zinc/24/30/66/1386243066.db2.gz ZCIJJEHBVIEQAE-QGZVFWFLSA-N 2 2 348.535 3.074 20 0 EGADLP CC[C@H](F)C[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823974 1386318072 /nfs/dbraw/zinc/31/80/72/1386318072.db2.gz YQTKQBODBSKVSG-HNNXBMFYSA-N 2 2 334.439 3.191 20 0 EGADLP CCC(CC)C[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001178879774 1386336821 /nfs/dbraw/zinc/33/68/21/1386336821.db2.gz FYYNSVQPIRUOKT-GOSISDBHSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777042 1386581448 /nfs/dbraw/zinc/58/14/48/1386581448.db2.gz NVUIVVQEXGRUPF-KRWDZBQOSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCCC1CCC1 ZINC001179777042 1386581459 /nfs/dbraw/zinc/58/14/59/1386581459.db2.gz NVUIVVQEXGRUPF-KRWDZBQOSA-N 2 2 348.535 3.435 20 0 EGADLP CCC[NH2+]CCCCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001179977020 1386655653 /nfs/dbraw/zinc/65/56/53/1386655653.db2.gz CWGKWGAXHIRHCH-UHFFFAOYSA-N 2 2 328.460 3.162 20 0 EGADLP CC1CCC(C[NH2+]CCCCCCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001180065283 1386685456 /nfs/dbraw/zinc/68/54/56/1386685456.db2.gz LXHUCRBMPHRXRO-UHFFFAOYSA-N 2 2 348.535 3.055 20 0 EGADLP CCC/C=C\CC[NH2+]CCCCCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001180158802 1386716812 /nfs/dbraw/zinc/71/68/12/1386716812.db2.gz RDWRZIJJLOEQCY-WAYWQWQTSA-N 2 2 334.508 3.273 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CCCC(C)(C)C ZINC001181688014 1387039073 /nfs/dbraw/zinc/03/90/73/1387039073.db2.gz LGSJKABGJYDRKT-OXQOHEQNSA-N 2 2 348.535 3.243 20 0 EGADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCCC(C)(C)C ZINC001181688014 1387039081 /nfs/dbraw/zinc/03/90/81/1387039081.db2.gz LGSJKABGJYDRKT-OXQOHEQNSA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001181903315 1387073773 /nfs/dbraw/zinc/07/37/73/1387073773.db2.gz GZMJEEPGLCJNIH-FOIQADDNSA-N 2 2 340.471 3.217 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168454 1387085730 /nfs/dbraw/zinc/08/57/30/1387085730.db2.gz JNEHWZQDQNJSJV-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322168454 1387085733 /nfs/dbraw/zinc/08/57/33/1387085733.db2.gz JNEHWZQDQNJSJV-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168454 1387085736 /nfs/dbraw/zinc/08/57/36/1387085736.db2.gz JNEHWZQDQNJSJV-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322168454 1387085741 /nfs/dbraw/zinc/08/57/41/1387085741.db2.gz JNEHWZQDQNJSJV-RDTXWAMCSA-N 2 2 346.450 3.069 20 0 EGADLP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001182316779 1387147219 /nfs/dbraw/zinc/14/72/19/1387147219.db2.gz OKLHGYWYRFAJGO-SFHVURJKSA-N 2 2 349.478 3.151 20 0 EGADLP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2cc[nH+]c3c2CCC3)C1 ZINC001182316779 1387147222 /nfs/dbraw/zinc/14/72/22/1387147222.db2.gz OKLHGYWYRFAJGO-SFHVURJKSA-N 2 2 349.478 3.151 20 0 EGADLP CCCOc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001332024636 1389949839 /nfs/dbraw/zinc/94/98/39/1389949839.db2.gz IYMCAJPKTDKQRK-UHFFFAOYSA-N 2 2 332.488 3.208 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC001332439243 1390118420 /nfs/dbraw/zinc/11/84/20/1390118420.db2.gz GFXOEKDEFXLMLE-MRXNPFEDSA-N 2 2 347.422 3.138 20 0 EGADLP c1ccc(N2CCCC2)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001332725366 1390170898 /nfs/dbraw/zinc/17/08/98/1390170898.db2.gz RBCBQKULBIZPLE-UHFFFAOYSA-N 2 2 343.515 3.020 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cn3cccc(C)c3n2)[nH+]1 ZINC001340940526 1390409379 /nfs/dbraw/zinc/40/93/79/1390409379.db2.gz ROGNPUKHSJDQQB-GOSISDBHSA-N 2 2 335.455 3.423 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cn3cccc(C)c3n2)[nH+]1 ZINC001340940526 1390409380 /nfs/dbraw/zinc/40/93/80/1390409380.db2.gz ROGNPUKHSJDQQB-GOSISDBHSA-N 2 2 335.455 3.423 20 0 EGADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)oc1C ZINC001341567813 1390503759 /nfs/dbraw/zinc/50/37/59/1390503759.db2.gz MQUQURJJZIYFEK-HNNXBMFYSA-N 2 2 343.427 3.155 20 0 EGADLP COC(=O)c1cc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)oc1C ZINC001341567813 1390503760 /nfs/dbraw/zinc/50/37/60/1390503760.db2.gz MQUQURJJZIYFEK-HNNXBMFYSA-N 2 2 343.427 3.155 20 0 EGADLP CO[C@H]1CCC[C@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)C1 ZINC001344379749 1390788069 /nfs/dbraw/zinc/78/80/69/1390788069.db2.gz BOUWWLYLTCYAHN-GJZGRUSLSA-N 2 2 328.416 3.110 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001345632071 1390870492 /nfs/dbraw/zinc/87/04/92/1390870492.db2.gz ISMGUBFIVZVQOE-MRXNPFEDSA-N 2 2 340.471 3.366 20 0 EGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001345632071 1390870493 /nfs/dbraw/zinc/87/04/93/1390870493.db2.gz ISMGUBFIVZVQOE-MRXNPFEDSA-N 2 2 340.471 3.366 20 0 EGADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001345942511 1390896139 /nfs/dbraw/zinc/89/61/39/1390896139.db2.gz BUKOJROZKJYPQC-SNVBAGLBSA-N 2 2 336.329 3.060 20 0 EGADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001345942511 1390896141 /nfs/dbraw/zinc/89/61/41/1390896141.db2.gz BUKOJROZKJYPQC-SNVBAGLBSA-N 2 2 336.329 3.060 20 0 EGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016331 1390901252 /nfs/dbraw/zinc/90/12/52/1390901252.db2.gz AKWXOMIWFGCXNS-MRXNPFEDSA-N 2 2 336.863 3.020 20 0 EGADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346016331 1390901253 /nfs/dbraw/zinc/90/12/53/1390901253.db2.gz AKWXOMIWFGCXNS-MRXNPFEDSA-N 2 2 336.863 3.020 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387668 1392733278 /nfs/dbraw/zinc/73/32/78/1392733278.db2.gz SMRCINVDWJXNOD-WMZOPIPTSA-N 2 2 348.535 3.006 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480387668 1392733279 /nfs/dbraw/zinc/73/32/79/1392733279.db2.gz SMRCINVDWJXNOD-WMZOPIPTSA-N 2 2 348.535 3.006 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001481451904 1394307982 /nfs/dbraw/zinc/30/79/82/1394307982.db2.gz SRHFJPJGTPQCCJ-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC001481451904 1394307990 /nfs/dbraw/zinc/30/79/90/1394307990.db2.gz SRHFJPJGTPQCCJ-SFHVURJKSA-N 2 2 346.519 3.141 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001698973629 1406740100 /nfs/dbraw/zinc/74/01/00/1406740100.db2.gz ZBUZDJBEBXGPMZ-GUYCJALGSA-N 2 2 348.878 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]CCC1CCCCCC1)C(C)C ZINC001698978992 1406753091 /nfs/dbraw/zinc/75/30/91/1406753091.db2.gz FGNHDYHSQIJOFQ-LJQANCHMSA-N 2 2 348.535 3.352 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699010198 1406837966 /nfs/dbraw/zinc/83/79/66/1406837966.db2.gz UISKRDMZUANUIR-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001699010198 1406837969 /nfs/dbraw/zinc/83/79/69/1406837969.db2.gz UISKRDMZUANUIR-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699010198 1406837975 /nfs/dbraw/zinc/83/79/75/1406837975.db2.gz UISKRDMZUANUIR-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001699010198 1406837981 /nfs/dbraw/zinc/83/79/81/1406837981.db2.gz UISKRDMZUANUIR-AEFFLSMTSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001690030695 1404269593 /nfs/dbraw/zinc/26/95/93/1404269593.db2.gz FZRZVFCCUXMJEI-GOSISDBHSA-N 2 2 348.535 3.268 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1ccc(Cl)cc1 ZINC001691022733 1404935393 /nfs/dbraw/zinc/93/53/93/1404935393.db2.gz ZQKUIXWTKIRVAC-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@H](C)c1ccc(Cl)cc1 ZINC001691022733 1404935397 /nfs/dbraw/zinc/93/53/97/1404935397.db2.gz ZQKUIXWTKIRVAC-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@H](C)c1ccc(Cl)cc1 ZINC001691022733 1404935398 /nfs/dbraw/zinc/93/53/98/1404935398.db2.gz ZQKUIXWTKIRVAC-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@H](C)c1ccc(Cl)cc1 ZINC001691022733 1404935402 /nfs/dbraw/zinc/93/54/02/1404935402.db2.gz ZQKUIXWTKIRVAC-CQSZACIVSA-N 2 2 348.878 3.195 20 0 EGADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001691859840 1405576890 /nfs/dbraw/zinc/57/68/90/1405576890.db2.gz BZSSDXVXGYJOHZ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001691859840 1405576897 /nfs/dbraw/zinc/57/68/97/1405576897.db2.gz BZSSDXVXGYJOHZ-LJQANCHMSA-N 2 2 346.519 3.166 20 0 EGADLP CC[C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)[NH2+]CCc1cccs1 ZINC001732211830 1428460104 /nfs/dbraw/zinc/46/01/04/1428460104.db2.gz RZCQTRBLRSQPFG-MRXNPFEDSA-N 2 2 345.512 3.409 20 0 EGADLP CC(C)C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001732470540 1428599027 /nfs/dbraw/zinc/59/90/27/1428599027.db2.gz UHFVPNUCQHXAIG-GOSISDBHSA-N 2 2 334.508 3.043 20 0 EGADLP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001699372666 1412679681 /nfs/dbraw/zinc/67/96/81/1412679681.db2.gz WXJMNQXHMAUVRC-MRXNPFEDSA-N 2 2 325.456 3.223 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001699683924 1413079921 /nfs/dbraw/zinc/07/99/21/1413079921.db2.gz LXLJXXACXWERIP-MSOLQXFVSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001699683924 1413079922 /nfs/dbraw/zinc/07/99/22/1413079922.db2.gz LXLJXXACXWERIP-MSOLQXFVSA-N 2 2 346.519 3.165 20 0 EGADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCCC2CCCC2)C1 ZINC001699877692 1413339299 /nfs/dbraw/zinc/33/92/99/1413339299.db2.gz DDEOQBCONKWTJU-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCCC2CCCC2)C1 ZINC001699877692 1413339302 /nfs/dbraw/zinc/33/93/02/1413339302.db2.gz DDEOQBCONKWTJU-FQEVSTJZSA-N 2 2 346.519 3.141 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460855 1414058089 /nfs/dbraw/zinc/05/80/89/1414058089.db2.gz MFRCNRPQNCOAAM-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700460855 1414058093 /nfs/dbraw/zinc/05/80/93/1414058093.db2.gz MFRCNRPQNCOAAM-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460855 1414058099 /nfs/dbraw/zinc/05/80/99/1414058099.db2.gz MFRCNRPQNCOAAM-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700460855 1414058106 /nfs/dbraw/zinc/05/81/06/1414058106.db2.gz MFRCNRPQNCOAAM-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461103 1414059872 /nfs/dbraw/zinc/05/98/72/1414059872.db2.gz OCTWWVCNEKXMLE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461103 1414059881 /nfs/dbraw/zinc/05/98/81/1414059881.db2.gz OCTWWVCNEKXMLE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461103 1414059887 /nfs/dbraw/zinc/05/98/87/1414059887.db2.gz OCTWWVCNEKXMLE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001700461103 1414059889 /nfs/dbraw/zinc/05/98/89/1414059889.db2.gz OCTWWVCNEKXMLE-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP CCC[NH2+][C@@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001700500482 1414148427 /nfs/dbraw/zinc/14/84/27/1414148427.db2.gz RDJORLXFZUMKME-KRWDZBQOSA-N 2 2 330.476 3.129 20 0 EGADLP CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001732628883 1428891265 /nfs/dbraw/zinc/89/12/65/1428891265.db2.gz KWQGRSDTAYEQLU-HKUYNNGSSA-N 2 2 340.471 3.016 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713085143 1417630883 /nfs/dbraw/zinc/63/08/83/1417630883.db2.gz YWYMFRSFXIRKFJ-WHLIDYPQSA-N 2 2 338.455 3.033 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001713085143 1417630886 /nfs/dbraw/zinc/63/08/86/1417630886.db2.gz YWYMFRSFXIRKFJ-WHLIDYPQSA-N 2 2 338.455 3.033 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713643092 1418409142 /nfs/dbraw/zinc/40/91/42/1418409142.db2.gz CNHNKXVAJABGRF-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001713643092 1418409145 /nfs/dbraw/zinc/40/91/45/1418409145.db2.gz CNHNKXVAJABGRF-KGLIPLIRSA-N 2 2 348.878 3.051 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001714010192 1418789297 /nfs/dbraw/zinc/78/92/97/1418789297.db2.gz BCQVOGUXGLHZTE-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001714010192 1418789300 /nfs/dbraw/zinc/78/93/00/1418789300.db2.gz BCQVOGUXGLHZTE-GOSISDBHSA-N 2 2 346.519 3.022 20 0 EGADLP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001714993250 1419725186 /nfs/dbraw/zinc/72/51/86/1419725186.db2.gz TWOVICMPLKSNIG-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001714993250 1419725187 /nfs/dbraw/zinc/72/51/87/1419725187.db2.gz TWOVICMPLKSNIG-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001714993250 1419725188 /nfs/dbraw/zinc/72/51/88/1419725188.db2.gz TWOVICMPLKSNIG-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)c1ccc(Cl)cc1 ZINC001714993250 1419725189 /nfs/dbraw/zinc/72/51/89/1419725189.db2.gz TWOVICMPLKSNIG-WBAXXEDZSA-N 2 2 349.906 3.028 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001715388277 1420085297 /nfs/dbraw/zinc/08/52/97/1420085297.db2.gz AGWBSNXVIFHHSM-AEFFLSMTSA-N 2 2 342.487 3.142 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001715664519 1420285236 /nfs/dbraw/zinc/28/52/36/1420285236.db2.gz WJCPSUHCGIYIGZ-SUMWQHHRSA-N 2 2 348.878 3.097 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001715703743 1420302710 /nfs/dbraw/zinc/30/27/10/1420302710.db2.gz SGVMTQUQKILRTK-QWHCGFSZSA-N 2 2 348.878 3.160 20 0 EGADLP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001716242973 1420579029 /nfs/dbraw/zinc/57/90/29/1420579029.db2.gz TZFJWGZAULDGSV-HOTGVXAUSA-N 2 2 346.450 3.173 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@]3(C)CCC[N@@H+](CC(C)C)C3)ccn12 ZINC001716894631 1421021133 /nfs/dbraw/zinc/02/11/33/1421021133.db2.gz UEFSGZJGMQVIHR-FQEVSTJZSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@]3(C)CCC[N@H+](CC(C)C)C3)ccn12 ZINC001716894631 1421021134 /nfs/dbraw/zinc/02/11/34/1421021134.db2.gz UEFSGZJGMQVIHR-FQEVSTJZSA-N 2 2 342.487 3.131 20 0 EGADLP CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001731434140 1427415651 /nfs/dbraw/zinc/41/56/51/1427415651.db2.gz YGZQQHQAIHFOOZ-SFHVURJKSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001734116788 1437899233 /nfs/dbraw/zinc/89/92/33/1437899233.db2.gz LDJRHDAPXVPMFL-AWEZNQCLSA-N 2 2 342.487 3.439 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC001734328483 1438053010 /nfs/dbraw/zinc/05/30/10/1438053010.db2.gz MZECGYLOHVTNAH-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001734328483 1438053011 /nfs/dbraw/zinc/05/30/11/1438053011.db2.gz MZECGYLOHVTNAH-KSSFIOAISA-N 2 2 346.450 3.069 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001752086102 1440139424 /nfs/dbraw/zinc/13/94/24/1440139424.db2.gz XGVUYGPVZTYJCF-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001752086102 1440139426 /nfs/dbraw/zinc/13/94/26/1440139426.db2.gz XGVUYGPVZTYJCF-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001752143381 1440145080 /nfs/dbraw/zinc/14/50/80/1440145080.db2.gz MKZRWHUGCJBFBA-ROUUACIJSA-N 2 2 334.508 3.069 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752668346 1440198713 /nfs/dbraw/zinc/19/87/13/1440198713.db2.gz AUFOLDOZXPHMPV-BRSBDYLESA-N 2 2 340.471 3.141 20 0 EGADLP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1)c1ccccc1 ZINC001752691839 1440200599 /nfs/dbraw/zinc/20/05/99/1440200599.db2.gz MJJADROHHAREPM-GUDVDZBRSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccccc1Cl ZINC001752882715 1440239222 /nfs/dbraw/zinc/23/92/22/1440239222.db2.gz BJCDOVDLKKQPDA-LBPRGKRZSA-N 2 2 342.830 3.124 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752943159 1440251142 /nfs/dbraw/zinc/25/11/42/1440251142.db2.gz JRJOYQYTEHPDNU-HNNXBMFYSA-N 2 2 328.460 3.051 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972043 1440255258 /nfs/dbraw/zinc/25/52/58/1440255258.db2.gz SPKCUHBSTMWZDF-MSOLQXFVSA-N 2 2 346.519 3.330 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001752972043 1440255259 /nfs/dbraw/zinc/25/52/59/1440255259.db2.gz SPKCUHBSTMWZDF-MSOLQXFVSA-N 2 2 346.519 3.330 20 0 EGADLP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@@H](C)CC(C)C ZINC001753085541 1440296009 /nfs/dbraw/zinc/29/60/09/1440296009.db2.gz FXPOWWCZSLABRU-INIZCTEOSA-N 2 2 330.476 3.068 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@@H](C)CC(C)C ZINC001753085541 1440296010 /nfs/dbraw/zinc/29/60/10/1440296010.db2.gz FXPOWWCZSLABRU-INIZCTEOSA-N 2 2 330.476 3.068 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001753317288 1440360340 /nfs/dbraw/zinc/36/03/40/1440360340.db2.gz LETGLIASMAGVDA-VFQAQYNWSA-N 2 2 346.862 3.242 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001753317288 1440360341 /nfs/dbraw/zinc/36/03/41/1440360341.db2.gz LETGLIASMAGVDA-VFQAQYNWSA-N 2 2 346.862 3.242 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352373 1440378640 /nfs/dbraw/zinc/37/86/40/1440378640.db2.gz MKMISIWWKGQUPL-RBUKOAKNSA-N 2 2 346.519 3.217 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001753352373 1440378641 /nfs/dbraw/zinc/37/86/41/1440378641.db2.gz MKMISIWWKGQUPL-RBUKOAKNSA-N 2 2 346.519 3.217 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001753368281 1440386607 /nfs/dbraw/zinc/38/66/07/1440386607.db2.gz JPWGFOUNBPLBGR-ZBKUBXTQSA-N 2 2 332.492 3.161 20 0 EGADLP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@@H]1C ZINC001753535125 1440432264 /nfs/dbraw/zinc/43/22/64/1440432264.db2.gz CYOJBBVVTPFTDB-YWZLYKJASA-N 2 2 348.535 3.352 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H](CC[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001753551450 1440435072 /nfs/dbraw/zinc/43/50/72/1440435072.db2.gz MNOMRDSUGRXJPJ-KRWDZBQOSA-N 2 2 335.467 3.198 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001753694953 1440467205 /nfs/dbraw/zinc/46/72/05/1440467205.db2.gz JXUWZQYBNKYNPI-IRXDYDNUSA-N 2 2 342.487 3.157 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001753694953 1440467206 /nfs/dbraw/zinc/46/72/06/1440467206.db2.gz JXUWZQYBNKYNPI-IRXDYDNUSA-N 2 2 342.487 3.157 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001753694952 1440467283 /nfs/dbraw/zinc/46/72/83/1440467283.db2.gz JXUWZQYBNKYNPI-IAGOWNOFSA-N 2 2 342.487 3.157 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001753694952 1440467284 /nfs/dbraw/zinc/46/72/84/1440467284.db2.gz JXUWZQYBNKYNPI-IAGOWNOFSA-N 2 2 342.487 3.157 20 0 EGADLP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753698783 1440467944 /nfs/dbraw/zinc/46/79/44/1440467944.db2.gz KQCSPHJZOHCLGP-AWEZNQCLSA-N 2 2 330.476 3.439 20 0 EGADLP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C[NH2+]C/C=C\Cl ZINC001753806742 1440491882 /nfs/dbraw/zinc/49/18/82/1440491882.db2.gz DLACYJVOMQZDOF-IDEPPUQKSA-N 2 2 346.862 3.146 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C(C)C)c(C)[nH+]1 ZINC001753834798 1440500615 /nfs/dbraw/zinc/50/06/15/1440500615.db2.gz NWNFTTDTUOEAJN-CQSZACIVSA-N 2 2 345.409 3.303 20 0 EGADLP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754314480 1440574668 /nfs/dbraw/zinc/57/46/68/1440574668.db2.gz CXFUNYIBEJYSSI-AWEZNQCLSA-N 2 2 326.444 3.113 20 0 EGADLP C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754314480 1440574669 /nfs/dbraw/zinc/57/46/69/1440574669.db2.gz CXFUNYIBEJYSSI-AWEZNQCLSA-N 2 2 326.444 3.113 20 0 EGADLP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1CC ZINC001754463453 1440603891 /nfs/dbraw/zinc/60/38/91/1440603891.db2.gz CREGMIXUYVVFIB-FUHWJXTLSA-N 2 2 342.487 3.273 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001754578336 1440638343 /nfs/dbraw/zinc/63/83/43/1440638343.db2.gz CXPRMYCUYQZLOC-HKUYNNGSSA-N 2 2 348.535 3.295 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001754595617 1440641414 /nfs/dbraw/zinc/64/14/14/1440641414.db2.gz AKWXYBKPFIENOR-SJLPKXTDSA-N 2 2 347.503 3.182 20 0 EGADLP CCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001754599150 1440642158 /nfs/dbraw/zinc/64/21/58/1440642158.db2.gz YRYBURGINOFOGV-GOEBONIOSA-N 2 2 328.460 3.336 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674260 1440659217 /nfs/dbraw/zinc/65/92/17/1440659217.db2.gz QLCMERSMZIQHJQ-HXUWFJFHSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674260 1440659218 /nfs/dbraw/zinc/65/92/18/1440659218.db2.gz QLCMERSMZIQHJQ-HXUWFJFHSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674260 1440659219 /nfs/dbraw/zinc/65/92/19/1440659219.db2.gz QLCMERSMZIQHJQ-HXUWFJFHSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001754674260 1440659220 /nfs/dbraw/zinc/65/92/20/1440659220.db2.gz QLCMERSMZIQHJQ-HXUWFJFHSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCC2=CCCCC2)C1 ZINC001754732241 1440680165 /nfs/dbraw/zinc/68/01/65/1440680165.db2.gz QITDZCSDXVUKOU-FQEVSTJZSA-N 2 2 344.503 3.061 20 0 EGADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001754732241 1440680166 /nfs/dbraw/zinc/68/01/66/1440680166.db2.gz QITDZCSDXVUKOU-FQEVSTJZSA-N 2 2 344.503 3.061 20 0 EGADLP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001754794352 1440689205 /nfs/dbraw/zinc/68/92/05/1440689205.db2.gz AOJGCSLXNPSDNS-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001754794352 1440689206 /nfs/dbraw/zinc/68/92/06/1440689206.db2.gz AOJGCSLXNPSDNS-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754871097 1440705126 /nfs/dbraw/zinc/70/51/26/1440705126.db2.gz YQMAFWMVOQPKTK-QXAKKESOSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754871097 1440705127 /nfs/dbraw/zinc/70/51/27/1440705127.db2.gz YQMAFWMVOQPKTK-QXAKKESOSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754871097 1440705128 /nfs/dbraw/zinc/70/51/28/1440705128.db2.gz YQMAFWMVOQPKTK-QXAKKESOSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001754871097 1440705129 /nfs/dbraw/zinc/70/51/29/1440705129.db2.gz YQMAFWMVOQPKTK-QXAKKESOSA-N 2 2 346.519 3.090 20 0 EGADLP CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079706 1440750548 /nfs/dbraw/zinc/75/05/48/1440750548.db2.gz PMQMOPWJHAFSKN-DPZZJQGRSA-N 2 2 344.503 3.013 20 0 EGADLP CCC/C=C/CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001755079706 1440750549 /nfs/dbraw/zinc/75/05/49/1440750549.db2.gz PMQMOPWJHAFSKN-DPZZJQGRSA-N 2 2 344.503 3.013 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001755165475 1440766775 /nfs/dbraw/zinc/76/67/75/1440766775.db2.gz MJKUNAXQTFPIRA-QZTJIDSGSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001755165475 1440766776 /nfs/dbraw/zinc/76/67/76/1440766776.db2.gz MJKUNAXQTFPIRA-QZTJIDSGSA-N 2 2 334.508 3.069 20 0 EGADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001755267614 1440796721 /nfs/dbraw/zinc/79/67/21/1440796721.db2.gz CSUZSZJTGFKAFW-IRXDYDNUSA-N 2 2 346.519 3.117 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)CCC1CCCCC1 ZINC001755304618 1440810221 /nfs/dbraw/zinc/81/02/21/1440810221.db2.gz AAJDBCMCQJRPOE-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001755304618 1440810222 /nfs/dbraw/zinc/81/02/22/1440810222.db2.gz AAJDBCMCQJRPOE-MRXNPFEDSA-N 2 2 347.503 3.040 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)C/C=C/c1ccccc1 ZINC001755308752 1440812449 /nfs/dbraw/zinc/81/24/49/1440812449.db2.gz YRAKENSLSIUTCG-PYUISTEWSA-N 2 2 348.450 3.098 20 0 EGADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)C/C=C/c1ccccc1 ZINC001755308752 1440812450 /nfs/dbraw/zinc/81/24/50/1440812450.db2.gz YRAKENSLSIUTCG-PYUISTEWSA-N 2 2 348.450 3.098 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412538 1440847040 /nfs/dbraw/zinc/84/70/40/1440847040.db2.gz VEJYBBALINEEMI-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)CC1(C)C)n1cc[nH+]c1 ZINC001755412538 1440847041 /nfs/dbraw/zinc/84/70/41/1440847041.db2.gz VEJYBBALINEEMI-SJLPKXTDSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1Cl ZINC001755590482 1440881500 /nfs/dbraw/zinc/88/15/00/1440881500.db2.gz OKBDPXHHSIVHFM-ZIAGYGMSSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CCCC1 ZINC001755598571 1440883478 /nfs/dbraw/zinc/88/34/78/1440883478.db2.gz JKKSHJQLSXALAO-INIZCTEOSA-N 2 2 340.471 3.113 20 0 EGADLP CCc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001164630096 719099128 /nfs/dbraw/zinc/09/91/28/719099128.db2.gz VDRVDFYICSWXEV-RTBURBONSA-N 2 2 336.483 3.448 20 0 EGADLP CCc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001164630096 719099136 /nfs/dbraw/zinc/09/91/36/719099136.db2.gz VDRVDFYICSWXEV-RTBURBONSA-N 2 2 336.483 3.448 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000368133114 168315527 /nfs/dbraw/zinc/31/55/27/168315527.db2.gz ILMPFPPJBUJIBJ-SFHVURJKSA-N 2 2 348.450 3.384 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000368133114 168315529 /nfs/dbraw/zinc/31/55/29/168315529.db2.gz ILMPFPPJBUJIBJ-SFHVURJKSA-N 2 2 348.450 3.384 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302112 168341185 /nfs/dbraw/zinc/34/11/85/168341185.db2.gz QZVXNAADBGWWPP-UKRRQHHQSA-N 2 2 346.368 3.293 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302112 168341188 /nfs/dbraw/zinc/34/11/88/168341188.db2.gz QZVXNAADBGWWPP-UKRRQHHQSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302112 168341189 /nfs/dbraw/zinc/34/11/89/168341189.db2.gz QZVXNAADBGWWPP-UKRRQHHQSA-N 2 2 346.368 3.293 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)[C@@H]2C1 ZINC000368302112 168341191 /nfs/dbraw/zinc/34/11/91/168341191.db2.gz QZVXNAADBGWWPP-UKRRQHHQSA-N 2 2 346.368 3.293 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[NH2+]CCCn3cc[nH+]c3)n2)ccc1F ZINC000368317171 168342296 /nfs/dbraw/zinc/34/22/96/168342296.db2.gz VZLXHMTZGKTIMI-ZDUSSCGKSA-N 2 2 329.379 3.122 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000368521762 168367711 /nfs/dbraw/zinc/36/77/11/168367711.db2.gz IKURWNOVTMINTD-SFHVURJKSA-N 2 2 332.879 3.075 20 0 EGADLP Cn1c(Cl)cnc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368521762 168367713 /nfs/dbraw/zinc/36/77/13/168367713.db2.gz IKURWNOVTMINTD-SFHVURJKSA-N 2 2 332.879 3.075 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000368531599 168368601 /nfs/dbraw/zinc/36/86/01/168368601.db2.gz WBOGDAFZZORVLV-OAQYLSRUSA-N 3 2 329.532 3.363 20 0 EGADLP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368531599 168368603 /nfs/dbraw/zinc/36/86/03/168368603.db2.gz WBOGDAFZZORVLV-OAQYLSRUSA-N 3 2 329.532 3.363 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531042 168369199 /nfs/dbraw/zinc/36/91/99/168369199.db2.gz SDYKAFBJIQXQGT-JBACZVJFSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531042 168369202 /nfs/dbraw/zinc/36/92/02/168369202.db2.gz SDYKAFBJIQXQGT-JBACZVJFSA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000368531042 168369204 /nfs/dbraw/zinc/36/92/04/168369204.db2.gz SDYKAFBJIQXQGT-JBACZVJFSA-N 3 2 329.532 3.219 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000346529204 282167034 /nfs/dbraw/zinc/16/70/34/282167034.db2.gz TXBAEAYJBJTIMH-GOSISDBHSA-N 2 2 349.906 3.030 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000348877465 282167189 /nfs/dbraw/zinc/16/71/89/282167189.db2.gz HCLSQPWTGRUKLG-QZTJIDSGSA-N 2 2 349.906 3.030 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)cc1 ZINC000158881385 529579026 /nfs/dbraw/zinc/57/90/26/529579026.db2.gz OGWOQJDDPOLHFC-MSOLQXFVSA-N 2 2 340.471 3.215 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)cc1 ZINC000158881385 529579031 /nfs/dbraw/zinc/57/90/31/529579031.db2.gz OGWOQJDDPOLHFC-MSOLQXFVSA-N 2 2 340.471 3.215 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)n2)cc1 ZINC000158881385 529579033 /nfs/dbraw/zinc/57/90/33/529579033.db2.gz OGWOQJDDPOLHFC-MSOLQXFVSA-N 2 2 340.471 3.215 20 0 EGADLP CCc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)n2)cc1 ZINC000158881385 529579036 /nfs/dbraw/zinc/57/90/36/529579036.db2.gz OGWOQJDDPOLHFC-MSOLQXFVSA-N 2 2 340.471 3.215 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000353011334 282240024 /nfs/dbraw/zinc/24/00/24/282240024.db2.gz WLQFFFSPCCCHRP-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000353011334 282240025 /nfs/dbraw/zinc/24/00/25/282240025.db2.gz WLQFFFSPCCCHRP-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000353011334 282240027 /nfs/dbraw/zinc/24/00/27/282240027.db2.gz WLQFFFSPCCCHRP-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000353011334 282240029 /nfs/dbraw/zinc/24/00/29/282240029.db2.gz WLQFFFSPCCCHRP-KXBFYZLASA-N 2 2 344.890 3.360 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000181084503 529898942 /nfs/dbraw/zinc/89/89/42/529898942.db2.gz JVRXHANNGYGIII-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1F ZINC000181084503 529898943 /nfs/dbraw/zinc/89/89/43/529898943.db2.gz JVRXHANNGYGIII-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP Cc1nn2c(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c(C(C)C)nc2s1 ZINC000354175667 282305513 /nfs/dbraw/zinc/30/55/13/282305513.db2.gz HCWRNMDRJIQZTB-GOSISDBHSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c(C(C)C)nc2s1 ZINC000354175667 282305514 /nfs/dbraw/zinc/30/55/14/282305514.db2.gz HCWRNMDRJIQZTB-GOSISDBHSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)c(C(C)C)nc2s1 ZINC000354175667 282305516 /nfs/dbraw/zinc/30/55/16/282305516.db2.gz HCWRNMDRJIQZTB-GOSISDBHSA-N 2 2 347.532 3.140 20 0 EGADLP Cc1nn2c(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)c(C(C)C)nc2s1 ZINC000354175667 282305517 /nfs/dbraw/zinc/30/55/17/282305517.db2.gz HCWRNMDRJIQZTB-GOSISDBHSA-N 2 2 347.532 3.140 20 0 EGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701735 530064856 /nfs/dbraw/zinc/06/48/56/530064856.db2.gz HGANBXBLADSORD-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701735 530064857 /nfs/dbraw/zinc/06/48/57/530064857.db2.gz HGANBXBLADSORD-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701735 530064858 /nfs/dbraw/zinc/06/48/58/530064858.db2.gz HGANBXBLADSORD-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)CC[C@@H]21 ZINC000158701735 530064859 /nfs/dbraw/zinc/06/48/59/530064859.db2.gz HGANBXBLADSORD-YOEHRIQHSA-N 2 2 328.485 3.121 20 0 EGADLP C[C@H](C[NH2+]C1CCN(Cc2ccccc2Cl)CC1)Cn1cc[nH+]c1 ZINC000178054395 232069884 /nfs/dbraw/zinc/06/98/84/232069884.db2.gz IVMSEPFQEONZQT-MRXNPFEDSA-N 2 2 346.906 3.427 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)Cn1cc[nH+]c1 ZINC000178054395 232069888 /nfs/dbraw/zinc/06/98/88/232069888.db2.gz IVMSEPFQEONZQT-MRXNPFEDSA-N 3 2 346.906 3.427 20 0 EGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000178698730 232391508 /nfs/dbraw/zinc/39/15/08/232391508.db2.gz NXHHFIOFMBJEAF-SFHVURJKSA-N 3 2 340.515 3.124 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000132819203 283004404 /nfs/dbraw/zinc/00/44/04/283004404.db2.gz BPRMLSVDDZJFJU-OXQOHEQNSA-N 2 2 332.463 3.247 20 0 EGADLP Fc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000132819203 283004407 /nfs/dbraw/zinc/00/44/07/283004407.db2.gz BPRMLSVDDZJFJU-OXQOHEQNSA-N 2 2 332.463 3.247 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000183916021 235260189 /nfs/dbraw/zinc/26/01/89/235260189.db2.gz LCBVMOSKRCFZFZ-JKSUJKDBSA-N 2 2 347.503 3.317 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000037976742 213180260 /nfs/dbraw/zinc/18/02/60/213180260.db2.gz UKAWQAMHBLQDMM-UHFFFAOYSA-N 2 2 327.266 3.032 20 0 EGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000187902426 236333764 /nfs/dbraw/zinc/33/37/64/236333764.db2.gz RFMGIKPPXQQEHY-HZPDHXFCSA-N 2 2 330.501 3.409 20 0 EGADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187902426 236333767 /nfs/dbraw/zinc/33/37/67/236333767.db2.gz RFMGIKPPXQQEHY-HZPDHXFCSA-N 2 2 330.501 3.409 20 0 EGADLP C[C@H]1CCC[C@](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)([NH+](C)C)C1 ZINC000129429330 223055122 /nfs/dbraw/zinc/05/51/22/223055122.db2.gz YFTUUYQWKIHGKQ-PXNSSMCTSA-N 3 2 330.520 3.151 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccccc2Br)C1 ZINC000130051344 223116649 /nfs/dbraw/zinc/11/66/49/223116649.db2.gz IETAUQOTFTUXHY-AWEZNQCLSA-N 2 2 325.294 3.265 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccccc2Br)C1 ZINC000130051344 223116652 /nfs/dbraw/zinc/11/66/52/223116652.db2.gz IETAUQOTFTUXHY-AWEZNQCLSA-N 2 2 325.294 3.265 20 0 EGADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000130561840 223161915 /nfs/dbraw/zinc/16/19/15/223161915.db2.gz RXEHCSUPAUIENU-CQSZACIVSA-N 2 2 325.412 3.245 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858078 216318149 /nfs/dbraw/zinc/31/81/49/216318149.db2.gz IPOAXSKIIDELIU-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858078 216318152 /nfs/dbraw/zinc/31/81/52/216318152.db2.gz IPOAXSKIIDELIU-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858078 216318154 /nfs/dbraw/zinc/31/81/54/216318154.db2.gz IPOAXSKIIDELIU-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000072858078 216318156 /nfs/dbraw/zinc/31/81/56/216318156.db2.gz IPOAXSKIIDELIU-DLBZAZTESA-N 2 2 339.483 3.440 20 0 EGADLP C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231669756 242269681 /nfs/dbraw/zinc/26/96/81/242269681.db2.gz MAEVUGQVOKXFFM-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231669756 242269682 /nfs/dbraw/zinc/26/96/82/242269682.db2.gz MAEVUGQVOKXFFM-NSHDSACASA-N 2 2 330.259 3.006 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCOC2(C)C)CCOCC1)c1ccccc1 ZINC000340247222 296112707 /nfs/dbraw/zinc/11/27/07/296112707.db2.gz JXUOTUNUVSWONN-AEFFLSMTSA-N 2 2 332.488 3.044 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246114953 243198822 /nfs/dbraw/zinc/19/88/22/243198822.db2.gz FQAMUJXSOGGVRE-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000246114953 243198829 /nfs/dbraw/zinc/19/88/29/243198829.db2.gz FQAMUJXSOGGVRE-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000246114953 243198832 /nfs/dbraw/zinc/19/88/32/243198832.db2.gz FQAMUJXSOGGVRE-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000246114953 243198838 /nfs/dbraw/zinc/19/88/38/243198838.db2.gz FQAMUJXSOGGVRE-HBFSDRIKSA-N 2 2 345.531 3.306 20 0 EGADLP C[C@@H](C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)[nH+]c2c1)[C@H](C)[NH3+] ZINC000262507223 245007954 /nfs/dbraw/zinc/00/79/54/245007954.db2.gz BPGWCCHBXLDWQL-NEPJUHHUSA-N 2 2 340.402 3.215 20 0 EGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000262632313 245081579 /nfs/dbraw/zinc/08/15/79/245081579.db2.gz HHBZJKTYVUVZGU-DYVFJYSZSA-N 2 2 326.444 3.198 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000078673827 217099531 /nfs/dbraw/zinc/09/95/31/217099531.db2.gz VHGQHGVANCNLNC-INIZCTEOSA-N 2 2 339.439 3.478 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000079557344 217241162 /nfs/dbraw/zinc/24/11/62/217241162.db2.gz RBKBARNURYMGMI-QFBILLFUSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@H]1C[C@H](NC(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1Cc1ccccc1 ZINC000079557344 217241164 /nfs/dbraw/zinc/24/11/64/217241164.db2.gz RBKBARNURYMGMI-QFBILLFUSA-N 2 2 348.450 3.117 20 0 EGADLP CCCCC[C@H](CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378443230 169121084 /nfs/dbraw/zinc/12/10/84/169121084.db2.gz ROJJNJSVGFYIGT-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP CCCCC[C@H](CC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378443230 169121085 /nfs/dbraw/zinc/12/10/85/169121085.db2.gz ROJJNJSVGFYIGT-HKUYNNGSSA-N 2 2 337.552 3.220 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000112173954 220255012 /nfs/dbraw/zinc/25/50/12/220255012.db2.gz UBKMFDHNKTVFJB-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000112173954 220255017 /nfs/dbraw/zinc/25/50/17/220255017.db2.gz UBKMFDHNKTVFJB-VXGBXAGGSA-N 2 2 327.266 3.017 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000092165628 218124592 /nfs/dbraw/zinc/12/45/92/218124592.db2.gz DUZMYAKNBIOOOS-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000092165628 218124595 /nfs/dbraw/zinc/12/45/95/218124595.db2.gz DUZMYAKNBIOOOS-UHFFFAOYSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1nccs1 ZINC000093400925 218223311 /nfs/dbraw/zinc/22/33/11/218223311.db2.gz VOFQVAKCBKJWTG-CABCVRRESA-N 2 2 331.485 3.215 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1nccs1 ZINC000093400925 218223314 /nfs/dbraw/zinc/22/33/14/218223314.db2.gz VOFQVAKCBKJWTG-CABCVRRESA-N 2 2 331.485 3.215 20 0 EGADLP CCCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597911 218234048 /nfs/dbraw/zinc/23/40/48/218234048.db2.gz BAKYFBPDBCMESO-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OC ZINC000093597911 218234052 /nfs/dbraw/zinc/23/40/52/218234052.db2.gz BAKYFBPDBCMESO-SFHVURJKSA-N 2 2 332.488 3.402 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604576 218234518 /nfs/dbraw/zinc/23/45/18/218234518.db2.gz NTIQDHJNCYJAAZ-QGZVFWFLSA-N 2 2 331.479 3.344 20 0 EGADLP Fc1cccc(N2CCCC2)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093604576 218234519 /nfs/dbraw/zinc/23/45/19/218234519.db2.gz NTIQDHJNCYJAAZ-QGZVFWFLSA-N 2 2 331.479 3.344 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597564 218235282 /nfs/dbraw/zinc/23/52/82/218235282.db2.gz HLKPGTWYEJEMNP-CQSZACIVSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597564 218235284 /nfs/dbraw/zinc/23/52/84/218235284.db2.gz HLKPGTWYEJEMNP-CQSZACIVSA-N 2 2 340.414 3.214 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2Br)C1 ZINC000093770244 218248433 /nfs/dbraw/zinc/24/84/33/218248433.db2.gz GXUMALHEBIQLMZ-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)ccc2Br)C1 ZINC000093770244 218248436 /nfs/dbraw/zinc/24/84/36/218248436.db2.gz GXUMALHEBIQLMZ-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)ccc2Br)C1 ZINC000093770244 218248438 /nfs/dbraw/zinc/24/84/38/218248438.db2.gz GXUMALHEBIQLMZ-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)ccc2Br)C1 ZINC000093770244 218248441 /nfs/dbraw/zinc/24/84/41/218248441.db2.gz GXUMALHEBIQLMZ-CYBMUJFWSA-N 2 2 341.293 3.231 20 0 EGADLP CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000267598864 251182465 /nfs/dbraw/zinc/18/24/65/251182465.db2.gz DBDOJQSQPGIFFM-ZDUSSCGKSA-N 2 2 328.441 3.326 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCOC4(C3)CCCCCC4)cn2)c[nH+]1 ZINC000152924607 224032252 /nfs/dbraw/zinc/03/22/52/224032252.db2.gz HUKGHDNDUTURNK-UHFFFAOYSA-N 2 2 326.444 3.193 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCOC4(C3)CCCCCC4)cn2)c[nH+]1 ZINC000152924607 224032253 /nfs/dbraw/zinc/03/22/53/224032253.db2.gz HUKGHDNDUTURNK-UHFFFAOYSA-N 2 2 326.444 3.193 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1I ZINC000268705142 252155965 /nfs/dbraw/zinc/15/59/65/252155965.db2.gz BTNYFHOCZOCROQ-NSHDSACASA-N 2 2 344.240 3.036 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818482 252268760 /nfs/dbraw/zinc/26/87/60/252268760.db2.gz GVQSIOKVHNQEPM-SJLPKXTDSA-N 2 2 341.503 3.267 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3ccc(C)cc3)c2C)C1 ZINC000268818482 252268764 /nfs/dbraw/zinc/26/87/64/252268764.db2.gz GVQSIOKVHNQEPM-SJLPKXTDSA-N 2 2 341.503 3.267 20 0 EGADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268814886 252266224 /nfs/dbraw/zinc/26/62/24/252266224.db2.gz FTOLJAALZCOGPW-RHSMWYFYSA-N 2 2 345.512 3.226 20 0 EGADLP Brc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000351551529 532963474 /nfs/dbraw/zinc/96/34/74/532963474.db2.gz XEEMSDHTTZAGJM-UHFFFAOYSA-N 2 2 343.228 3.123 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000154826261 224312034 /nfs/dbraw/zinc/31/20/34/224312034.db2.gz KXRUDJPRCXRNIF-ZDUSSCGKSA-N 2 2 346.393 3.347 20 0 EGADLP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]c(C)c2)[NH+]2CCCC2)o1 ZINC000119253224 221277840 /nfs/dbraw/zinc/27/78/40/221277840.db2.gz GFNXQMGYYXLMRQ-MRXNPFEDSA-N 2 2 328.416 3.250 20 0 EGADLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000155184979 224373032 /nfs/dbraw/zinc/37/30/32/224373032.db2.gz GJVWILYXNOZPIC-QGZVFWFLSA-N 2 2 344.455 3.150 20 0 EGADLP C[N@@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328633449 258027485 /nfs/dbraw/zinc/02/74/85/258027485.db2.gz MAUKIFOSEPTQHU-FPOVZHCZSA-N 2 2 337.467 3.141 20 0 EGADLP C[N@H+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328633449 258027489 /nfs/dbraw/zinc/02/74/89/258027489.db2.gz MAUKIFOSEPTQHU-FPOVZHCZSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328633449 258027490 /nfs/dbraw/zinc/02/74/90/258027490.db2.gz MAUKIFOSEPTQHU-FPOVZHCZSA-N 2 2 337.467 3.141 20 0 EGADLP C[NH+](Cc1ccc2c(c1)CCO2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328633449 258027492 /nfs/dbraw/zinc/02/74/92/258027492.db2.gz MAUKIFOSEPTQHU-FPOVZHCZSA-N 2 2 337.467 3.141 20 0 EGADLP COc1c(Br)cccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000187169010 533385312 /nfs/dbraw/zinc/38/53/12/533385312.db2.gz XLHOGCMQQBATDU-LBPRGKRZSA-N 2 2 338.249 3.080 20 0 EGADLP CSCCCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000186842230 533554122 /nfs/dbraw/zinc/55/41/22/533554122.db2.gz UUBSGNPTJVUNCZ-UHFFFAOYSA-N 2 2 328.445 3.156 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246837656 141038104 /nfs/dbraw/zinc/03/81/04/141038104.db2.gz OONSCMPWWAHJJJ-FPPGBKCQSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246837656 141038107 /nfs/dbraw/zinc/03/81/07/141038107.db2.gz OONSCMPWWAHJJJ-FPPGBKCQSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246837656 141038109 /nfs/dbraw/zinc/03/81/09/141038109.db2.gz OONSCMPWWAHJJJ-FPPGBKCQSA-N 2 2 347.547 3.019 20 0 EGADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246837656 141038112 /nfs/dbraw/zinc/03/81/12/141038112.db2.gz OONSCMPWWAHJJJ-FPPGBKCQSA-N 2 2 347.547 3.019 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246924867 141044270 /nfs/dbraw/zinc/04/42/70/141044270.db2.gz DFQQFFMDMGTQIV-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1cc[nH+]c1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246924867 141044271 /nfs/dbraw/zinc/04/42/71/141044271.db2.gz DFQQFFMDMGTQIV-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000246955573 141045843 /nfs/dbraw/zinc/04/58/43/141045843.db2.gz AVOCRFNHDAXAJB-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C1 ZINC000246955573 141045845 /nfs/dbraw/zinc/04/58/45/141045845.db2.gz AVOCRFNHDAXAJB-CVEARBPZSA-N 2 2 349.544 3.399 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000339545631 141129047 /nfs/dbraw/zinc/12/90/47/141129047.db2.gz SAKUQRLXISEARE-IBGZPJMESA-N 2 2 344.886 3.157 20 0 EGADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000339545631 141129051 /nfs/dbraw/zinc/12/90/51/141129051.db2.gz SAKUQRLXISEARE-IBGZPJMESA-N 2 2 344.886 3.157 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@@H+]1Cc1ccccc1 ZINC000341256622 141144976 /nfs/dbraw/zinc/14/49/76/141144976.db2.gz UDLSRWBSWDPDCX-UZLBHIALSA-N 2 2 334.467 3.358 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c[nH]nc3c2)C[N@H+]1Cc1ccccc1 ZINC000341256622 141144977 /nfs/dbraw/zinc/14/49/77/141144977.db2.gz UDLSRWBSWDPDCX-UZLBHIALSA-N 2 2 334.467 3.358 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000344548934 141171764 /nfs/dbraw/zinc/17/17/64/141171764.db2.gz OFMRUJZZHYBQGZ-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(Cl)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344548934 141171765 /nfs/dbraw/zinc/17/17/65/141171765.db2.gz OFMRUJZZHYBQGZ-KRWDZBQOSA-N 2 2 336.888 3.128 20 0 EGADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000346271579 141189405 /nfs/dbraw/zinc/18/94/05/141189405.db2.gz FXNSWDJEUCHWLF-FQEVSTJZSA-N 2 2 326.488 3.260 20 0 EGADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000346271579 141189406 /nfs/dbraw/zinc/18/94/06/141189406.db2.gz FXNSWDJEUCHWLF-FQEVSTJZSA-N 2 2 326.488 3.260 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c[nH+]1 ZINC000354582182 141309827 /nfs/dbraw/zinc/30/98/27/141309827.db2.gz HACKYTNZMMDYMT-UHFFFAOYSA-N 2 2 331.504 3.292 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c[nH+]1 ZINC000354582182 141309828 /nfs/dbraw/zinc/30/98/28/141309828.db2.gz HACKYTNZMMDYMT-UHFFFAOYSA-N 2 2 331.504 3.292 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H]2CCO[C@@H]21 ZINC000677806916 549334941 /nfs/dbraw/zinc/33/49/41/549334941.db2.gz UNLAMKQOCRBTPL-MANSERQUSA-N 2 2 328.500 3.443 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H]2CCO[C@@H]21 ZINC000677806916 549334944 /nfs/dbraw/zinc/33/49/44/549334944.db2.gz UNLAMKQOCRBTPL-MANSERQUSA-N 2 2 328.500 3.443 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344647563 144204520 /nfs/dbraw/zinc/20/45/20/144204520.db2.gz XILVLFRWXNUPKQ-OXQOHEQNSA-N 2 2 340.515 3.429 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344647563 144204521 /nfs/dbraw/zinc/20/45/21/144204521.db2.gz XILVLFRWXNUPKQ-OXQOHEQNSA-N 2 2 340.515 3.429 20 0 EGADLP c1cn(Cc2ccc(NCc3ccc(OCC4CC4)cc3)[nH+]c2)c[nH+]1 ZINC000351569581 144281158 /nfs/dbraw/zinc/28/11/58/144281158.db2.gz RNOUSMROWOOSQL-UHFFFAOYSA-N 2 2 334.423 3.149 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851274 144316249 /nfs/dbraw/zinc/31/62/49/144316249.db2.gz KZBHPUAJDXIMNJ-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000351851274 144316250 /nfs/dbraw/zinc/31/62/50/144316250.db2.gz KZBHPUAJDXIMNJ-HZPDHXFCSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1ccn2c(CN3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)c[nH+]c2c1 ZINC000352284996 144322816 /nfs/dbraw/zinc/32/28/16/144322816.db2.gz CSIFNQWEVWKONC-KURKYZTESA-N 2 2 326.488 3.480 20 0 EGADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361742737 144358209 /nfs/dbraw/zinc/35/82/09/144358209.db2.gz BFUAHSLQPZGCQU-KRWDZBQOSA-N 2 2 335.492 3.496 20 0 EGADLP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000363757765 144362554 /nfs/dbraw/zinc/36/25/54/144362554.db2.gz NRMFAVQWRAXSKW-HUUCEWRRSA-N 2 2 329.444 3.437 20 0 EGADLP CC(C)c1csc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000341295762 155231463 /nfs/dbraw/zinc/23/14/63/155231463.db2.gz YOCICOPYWRLVBZ-UHFFFAOYSA-N 2 2 330.501 3.416 20 0 EGADLP C[C@H]1CCC[C@@](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000117763315 152115048 /nfs/dbraw/zinc/11/50/48/152115048.db2.gz XRMFMOYJPOQMOF-OXJNMPFZSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117756861 152115131 /nfs/dbraw/zinc/11/51/31/152115131.db2.gz CZOLRIXONLVUIV-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000117756861 152115136 /nfs/dbraw/zinc/11/51/36/152115136.db2.gz CZOLRIXONLVUIV-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CC1CC[NH+](CCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117756950 152115969 /nfs/dbraw/zinc/11/59/69/152115969.db2.gz QZXPTPFVORDZOF-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117756824 152116010 /nfs/dbraw/zinc/11/60/10/152116010.db2.gz ZRWCILNIRACUTM-KRWDZBQOSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117756824 152116014 /nfs/dbraw/zinc/11/60/14/152116014.db2.gz ZRWCILNIRACUTM-KRWDZBQOSA-N 2 2 340.471 3.257 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000121189280 152333159 /nfs/dbraw/zinc/33/31/59/152333159.db2.gz OUSLPBQLONEYBT-HAGHYFMRSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)cc1 ZINC000121189280 152333162 /nfs/dbraw/zinc/33/31/62/152333162.db2.gz OUSLPBQLONEYBT-HAGHYFMRSA-N 2 2 326.484 3.198 20 0 EGADLP Fc1ccc(F)c(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000157282928 152699418 /nfs/dbraw/zinc/69/94/18/152699418.db2.gz DOQBJLMNMVSZPM-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP CCN(C)c1ccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000190670154 153154016 /nfs/dbraw/zinc/15/40/16/153154016.db2.gz RICDUGRGULBMDR-FQEVSTJZSA-N 2 2 338.499 3.464 20 0 EGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191092231 153174859 /nfs/dbraw/zinc/17/48/59/153174859.db2.gz KJCOIBJGOFQVQW-INIZCTEOSA-N 2 2 341.503 3.348 20 0 EGADLP CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1OC(F)F ZINC000192951019 153268429 /nfs/dbraw/zinc/26/84/29/153268429.db2.gz OQSWYCLSDQZBRY-GOOCMWNKSA-N 2 2 340.414 3.402 20 0 EGADLP CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC(F)F ZINC000192951019 153268432 /nfs/dbraw/zinc/26/84/32/153268432.db2.gz OQSWYCLSDQZBRY-GOOCMWNKSA-N 2 2 340.414 3.402 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000303217138 154039998 /nfs/dbraw/zinc/03/99/98/154039998.db2.gz DWCNVKKYKCBOBY-RDJZCZTQSA-N 2 2 338.492 3.045 20 0 EGADLP C[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000337381456 154323382 /nfs/dbraw/zinc/32/33/82/154323382.db2.gz DUEFUWPKYSQATE-AWEZNQCLSA-N 2 2 330.395 3.426 20 0 EGADLP Clc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402804 154334745 /nfs/dbraw/zinc/33/47/45/154334745.db2.gz LJAJUPNGUNRUNB-DNVCBOLYSA-N 2 2 334.891 3.372 20 0 EGADLP Clc1ccc2c(c1)[C@H]([N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000337402804 154334749 /nfs/dbraw/zinc/33/47/49/154334749.db2.gz LJAJUPNGUNRUNB-DNVCBOLYSA-N 2 2 334.891 3.372 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)oc1C ZINC000337449257 154359927 /nfs/dbraw/zinc/35/99/27/154359927.db2.gz HITNZPOFALULIB-FFZOFVMBSA-N 2 2 342.483 3.430 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)oc1C ZINC000337449257 154359932 /nfs/dbraw/zinc/35/99/32/154359932.db2.gz HITNZPOFALULIB-FFZOFVMBSA-N 2 2 342.483 3.430 20 0 EGADLP Fc1cc(CNc2cc[nH+]cc2Br)ccc1-n1cc[nH+]c1 ZINC000340016026 155072996 /nfs/dbraw/zinc/07/29/96/155072996.db2.gz QTLWHKQONIGDIX-UHFFFAOYSA-N 2 2 347.191 3.203 20 0 EGADLP CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)s2)[C@@H](C[NH3+])C1 ZINC000346858718 156166116 /nfs/dbraw/zinc/16/61/16/156166116.db2.gz YJLNMSDELFPULR-ZIAGYGMSSA-N 2 2 334.460 3.492 20 0 EGADLP CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)s2)[C@@H](C[NH3+])C1 ZINC000346858718 156166119 /nfs/dbraw/zinc/16/61/19/156166119.db2.gz YJLNMSDELFPULR-ZIAGYGMSSA-N 2 2 334.460 3.492 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC000346865853 156169954 /nfs/dbraw/zinc/16/99/54/156169954.db2.gz OITLFJIXCHTCJQ-IAGOWNOFSA-N 2 2 341.503 3.491 20 0 EGADLP Fc1ccccc1NCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000346865680 156170093 /nfs/dbraw/zinc/17/00/93/156170093.db2.gz GVJFGTHFXDMDLF-UHFFFAOYSA-N 2 2 342.462 3.277 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994018 156235501 /nfs/dbraw/zinc/23/55/01/156235501.db2.gz BCEXEGLFDRTPGV-CABCVRRESA-N 2 2 331.485 3.281 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000346994018 156235505 /nfs/dbraw/zinc/23/55/05/156235505.db2.gz BCEXEGLFDRTPGV-CABCVRRESA-N 2 2 331.485 3.281 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137417 156710122 /nfs/dbraw/zinc/71/01/22/156710122.db2.gz GPUZVTZPOPMBSA-KXBFYZLASA-N 2 2 345.437 3.403 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(F)c1F ZINC000358137417 156710124 /nfs/dbraw/zinc/71/01/24/156710124.db2.gz GPUZVTZPOPMBSA-KXBFYZLASA-N 2 2 345.437 3.403 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365625081 157196428 /nfs/dbraw/zinc/19/64/28/157196428.db2.gz HLFPZLYZSDIFDY-KRWDZBQOSA-N 2 2 340.471 3.362 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365625081 157196431 /nfs/dbraw/zinc/19/64/31/157196431.db2.gz HLFPZLYZSDIFDY-KRWDZBQOSA-N 2 2 340.471 3.362 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000368788805 157290540 /nfs/dbraw/zinc/29/05/40/157290540.db2.gz XTTMGSLAVHVYIS-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000368788805 157290541 /nfs/dbraw/zinc/29/05/41/157290541.db2.gz XTTMGSLAVHVYIS-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(Cl)nc21 ZINC000368791962 157291551 /nfs/dbraw/zinc/29/15/51/157291551.db2.gz WGSITRNJEWCEOM-HZPDHXFCSA-N 2 2 347.894 3.382 20 0 EGADLP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(Cl)nc21 ZINC000368791962 157291554 /nfs/dbraw/zinc/29/15/54/157291554.db2.gz WGSITRNJEWCEOM-HZPDHXFCSA-N 2 2 347.894 3.382 20 0 EGADLP C[C@@H](C[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1)c1cccc(Cl)c1 ZINC000372459415 157337222 /nfs/dbraw/zinc/33/72/22/157337222.db2.gz DCIPJTPSBFQKBK-INIZCTEOSA-N 2 2 346.906 3.385 20 0 EGADLP C[C@@H](C[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1)c1cccc(Cl)c1 ZINC000372459415 157337227 /nfs/dbraw/zinc/33/72/27/157337227.db2.gz DCIPJTPSBFQKBK-INIZCTEOSA-N 2 2 346.906 3.385 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793256 162112884 /nfs/dbraw/zinc/11/28/84/162112884.db2.gz TYKQXFNPVWDUFX-UHFFFAOYSA-N 2 2 326.444 3.282 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000112634148 162183511 /nfs/dbraw/zinc/18/35/11/162183511.db2.gz LYKWDHRRWZXUQX-QGZVFWFLSA-N 2 2 337.423 3.184 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125902413 162289688 /nfs/dbraw/zinc/28/96/88/162289688.db2.gz VJEFHMBXCLWNCA-NQIIRXRSSA-N 2 2 338.499 3.018 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125902413 162289695 /nfs/dbraw/zinc/28/96/95/162289695.db2.gz VJEFHMBXCLWNCA-NQIIRXRSSA-N 2 2 338.499 3.018 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000131222213 162394537 /nfs/dbraw/zinc/39/45/37/162394537.db2.gz YORVKLREIIUYFO-PBHICJAKSA-N 2 2 333.863 3.062 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000248544151 163012128 /nfs/dbraw/zinc/01/21/28/163012128.db2.gz DJYHIHGAELNKJU-CABCVRRESA-N 2 2 339.886 3.252 20 0 EGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(Cl)c3F)C2)CC1 ZINC000248544151 163012131 /nfs/dbraw/zinc/01/21/31/163012131.db2.gz DJYHIHGAELNKJU-CABCVRRESA-N 2 2 339.886 3.252 20 0 EGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000249112096 163056963 /nfs/dbraw/zinc/05/69/63/163056963.db2.gz REBVPPVNTNLFKP-SJLPKXTDSA-N 2 2 341.503 3.384 20 0 EGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000249112096 163056969 /nfs/dbraw/zinc/05/69/69/163056969.db2.gz REBVPPVNTNLFKP-SJLPKXTDSA-N 2 2 341.503 3.384 20 0 EGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000337203817 163161736 /nfs/dbraw/zinc/16/17/36/163161736.db2.gz GZQZITWPJOEUKJ-UHFFFAOYSA-N 2 2 326.444 3.187 20 0 EGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Oc2ccccc2)nn1 ZINC000337203817 163161738 /nfs/dbraw/zinc/16/17/38/163161738.db2.gz GZQZITWPJOEUKJ-UHFFFAOYSA-N 2 2 326.444 3.187 20 0 EGADLP CCc1cc(OC)ccc1C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000337261551 163185087 /nfs/dbraw/zinc/18/50/87/163185087.db2.gz QKOSIAOYBYXQMC-VQIMIIECSA-N 2 2 329.444 3.001 20 0 EGADLP CC(C)Oc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343714829 164018799 /nfs/dbraw/zinc/01/87/99/164018799.db2.gz QBJWNTAUJHHPDE-GOSISDBHSA-N 2 2 345.531 3.074 20 0 EGADLP CC(C)Oc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343714829 164018801 /nfs/dbraw/zinc/01/88/01/164018801.db2.gz QBJWNTAUJHHPDE-GOSISDBHSA-N 2 2 345.531 3.074 20 0 EGADLP Clc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000343754300 164027290 /nfs/dbraw/zinc/02/72/90/164027290.db2.gz VEESYRUOXZIBOU-HNNXBMFYSA-N 2 2 346.814 3.160 20 0 EGADLP Clc1cc2c(cc1C[N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000343754300 164027291 /nfs/dbraw/zinc/02/72/91/164027291.db2.gz VEESYRUOXZIBOU-HNNXBMFYSA-N 2 2 346.814 3.160 20 0 EGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1 ZINC000343761881 164029272 /nfs/dbraw/zinc/02/92/72/164029272.db2.gz ILZUGPYBWZIAOK-XLIONFOSSA-N 2 2 327.516 3.428 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c(Br)c1 ZINC000344022617 164084818 /nfs/dbraw/zinc/08/48/18/164084818.db2.gz NZSJLZVIFMDDBE-VXGBXAGGSA-N 2 2 329.282 3.449 20 0 EGADLP Cc1cccc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000354840519 166045475 /nfs/dbraw/zinc/04/54/75/166045475.db2.gz DRBIGTIQIQKGFX-UHFFFAOYSA-N 3 2 330.520 3.023 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000351588749 165102119 /nfs/dbraw/zinc/10/21/19/165102119.db2.gz KAYNNYCIIXWLGR-OBGWFSINSA-N 2 2 346.515 3.015 20 0 EGADLP COCc1ccccc1/C=C(\C)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000351588749 165102120 /nfs/dbraw/zinc/10/21/20/165102120.db2.gz KAYNNYCIIXWLGR-OBGWFSINSA-N 2 2 346.515 3.015 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@@H+](C)C[C@@H](C)O)CC3)cc2c1C ZINC000352011141 165192728 /nfs/dbraw/zinc/19/27/28/165192728.db2.gz PHNZIDMKYYQYOY-OAHLLOKOSA-N 2 2 329.488 3.062 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@H+](C)C[C@@H](C)O)CC3)cc2c1C ZINC000352011141 165192731 /nfs/dbraw/zinc/19/27/31/165192731.db2.gz PHNZIDMKYYQYOY-OAHLLOKOSA-N 2 2 329.488 3.062 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(C(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352078485 165223297 /nfs/dbraw/zinc/22/32/97/165223297.db2.gz YXCOOAFVTGEHSW-GDBMZVCRSA-N 2 2 334.414 3.278 20 0 EGADLP C[C@@H]([NH2+]Cc1ccn(C(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352078485 165223298 /nfs/dbraw/zinc/22/32/98/165223298.db2.gz YXCOOAFVTGEHSW-GDBMZVCRSA-N 2 2 334.414 3.278 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000352368676 165367204 /nfs/dbraw/zinc/36/72/04/165367204.db2.gz JXVUSQTWYTWZSC-QGZVFWFLSA-N 2 2 347.503 3.126 20 0 EGADLP CCc1noc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000352430542 165399446 /nfs/dbraw/zinc/39/94/46/165399446.db2.gz HAIMYCLUJJYNQW-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000352430542 165399451 /nfs/dbraw/zinc/39/94/51/165399451.db2.gz HAIMYCLUJJYNQW-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000352430542 165399457 /nfs/dbraw/zinc/39/94/57/165399457.db2.gz HAIMYCLUJJYNQW-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP CCc1noc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000352430542 165399461 /nfs/dbraw/zinc/39/94/61/165399461.db2.gz HAIMYCLUJJYNQW-CGTJXYLNSA-N 2 2 340.471 3.147 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c(OC)n1 ZINC000353555198 165804026 /nfs/dbraw/zinc/80/40/26/165804026.db2.gz BSORMXAQLHHFRZ-QAPCUYQASA-N 2 2 347.503 3.232 20 0 EGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000355209817 166135252 /nfs/dbraw/zinc/13/52/52/166135252.db2.gz KJMUCUOMEHONNR-ZTFGCOKTSA-N 2 2 338.879 3.032 20 0 EGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Cl)c1 ZINC000355209817 166135254 /nfs/dbraw/zinc/13/52/54/166135254.db2.gz KJMUCUOMEHONNR-ZTFGCOKTSA-N 2 2 338.879 3.032 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CSCCc4ccccc43)cn2)c[nH+]1 ZINC000366278596 168101994 /nfs/dbraw/zinc/10/19/94/168101994.db2.gz BGNYAUHHQNEALM-GOSISDBHSA-N 2 2 336.464 3.388 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187237 168191594 /nfs/dbraw/zinc/19/15/94/168191594.db2.gz PYFGBTCPKMLLFL-SJLPKXTDSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1nccn1C ZINC000367187237 168191598 /nfs/dbraw/zinc/19/15/98/168191598.db2.gz PYFGBTCPKMLLFL-SJLPKXTDSA-N 2 2 326.488 3.371 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000367361607 168214661 /nfs/dbraw/zinc/21/46/61/168214661.db2.gz QTHURSRZRDCKQL-NJYVYQBISA-N 2 2 349.478 3.069 20 0 EGADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000367398932 168220677 /nfs/dbraw/zinc/22/06/77/168220677.db2.gz BOOYACYTKILJIR-MRXNPFEDSA-N 2 2 329.419 3.187 20 0 EGADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc2c(c1)OCCO2 ZINC000367440169 168225738 /nfs/dbraw/zinc/22/57/38/168225738.db2.gz ZYAAXTJNACVKPE-INIZCTEOSA-N 2 2 327.428 3.232 20 0 EGADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439591 168225940 /nfs/dbraw/zinc/22/59/40/168225940.db2.gz VTDWQMBPKJTWOY-OAHLLOKOSA-N 2 2 326.444 3.035 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc(-n3ccnn3)c1)CCC2 ZINC000367893968 168281481 /nfs/dbraw/zinc/28/14/81/168281481.db2.gz ANSNXSQLYKCJIY-WBVHZDCISA-N 2 2 336.443 3.000 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000122873262 222174550 /nfs/dbraw/zinc/17/45/50/222174550.db2.gz VRAPMNMHTXJCBZ-CRAIPNDOSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000122873262 222174555 /nfs/dbraw/zinc/17/45/55/222174555.db2.gz VRAPMNMHTXJCBZ-CRAIPNDOSA-N 2 2 326.444 3.022 20 0 EGADLP CCCCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176916012 265215919 /nfs/dbraw/zinc/21/59/19/265215919.db2.gz GHMFECYRQYQQIQ-QUCCMNQESA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176916012 265215922 /nfs/dbraw/zinc/21/59/22/265215922.db2.gz GHMFECYRQYQQIQ-QUCCMNQESA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916012 265215925 /nfs/dbraw/zinc/21/59/25/265215925.db2.gz GHMFECYRQYQQIQ-QUCCMNQESA-N 2 2 345.531 3.278 20 0 EGADLP CCCCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916012 265215926 /nfs/dbraw/zinc/21/59/26/265215926.db2.gz GHMFECYRQYQQIQ-QUCCMNQESA-N 2 2 345.531 3.278 20 0 EGADLP c1ccc([C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)[NH+]2CCCC2)cc1 ZINC000193937852 266076840 /nfs/dbraw/zinc/07/68/40/266076840.db2.gz JZMFCMVGPAJBOD-UAFMIMERSA-N 2 2 326.484 3.371 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000233491926 266206707 /nfs/dbraw/zinc/20/67/07/266206707.db2.gz LDNRLZGOCRGLHL-BBRMVZONSA-N 2 2 325.294 3.454 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Br)cc1 ZINC000233491926 266206711 /nfs/dbraw/zinc/20/67/11/266206711.db2.gz LDNRLZGOCRGLHL-BBRMVZONSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000235485767 266207238 /nfs/dbraw/zinc/20/72/38/266207238.db2.gz OSUKHZWFPLZSIG-OLZOCXBDSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000235485767 266207241 /nfs/dbraw/zinc/20/72/41/266207241.db2.gz OSUKHZWFPLZSIG-OLZOCXBDSA-N 2 2 325.294 3.452 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274950313 267310537 /nfs/dbraw/zinc/31/05/37/267310537.db2.gz UZVBCWPXAFYZSD-UYAOXDASSA-N 3 2 348.494 3.377 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274950313 267310540 /nfs/dbraw/zinc/31/05/40/267310540.db2.gz UZVBCWPXAFYZSD-UYAOXDASSA-N 3 2 348.494 3.377 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1C(=O)OC(C)(C)C ZINC000278527090 268032235 /nfs/dbraw/zinc/03/22/35/268032235.db2.gz UFEQYOGZINHAEI-LSDHHAIUSA-N 2 2 344.459 3.212 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)CCOC(C)C)CC1 ZINC000361342957 274850518 /nfs/dbraw/zinc/85/05/18/274850518.db2.gz ZETZUWDHSVCHRQ-SFHVURJKSA-N 2 2 345.487 3.158 20 0 EGADLP c1ccc2c(c1)-c1ccccc1C2[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129199597 275068919 /nfs/dbraw/zinc/06/89/19/275068919.db2.gz DDZLNTKQWWBOHI-QGZVFWFLSA-N 2 2 334.463 3.411 20 0 EGADLP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129199597 275068921 /nfs/dbraw/zinc/06/89/21/275068921.db2.gz DDZLNTKQWWBOHI-QGZVFWFLSA-N 2 2 334.463 3.411 20 0 EGADLP c1coc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]2CCCO2)c1 ZINC000177045339 275074636 /nfs/dbraw/zinc/07/46/36/275074636.db2.gz YZYSCXLGOVVFDK-GOSISDBHSA-N 2 2 338.411 3.042 20 0 EGADLP c1coc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]2CCCO2)c1 ZINC000177045339 275074637 /nfs/dbraw/zinc/07/46/37/275074637.db2.gz YZYSCXLGOVVFDK-GOSISDBHSA-N 2 2 338.411 3.042 20 0 EGADLP Cn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076446455 275151977 /nfs/dbraw/zinc/15/19/77/275151977.db2.gz IBBOUZGBMORTEF-GOSISDBHSA-N 2 2 334.467 3.185 20 0 EGADLP Cn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076446455 275151978 /nfs/dbraw/zinc/15/19/78/275151978.db2.gz IBBOUZGBMORTEF-GOSISDBHSA-N 2 2 334.467 3.185 20 0 EGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000109786598 275179239 /nfs/dbraw/zinc/17/92/39/275179239.db2.gz DGDAMVCNAUUFPV-NRFANRHFSA-N 2 2 345.531 3.306 20 0 EGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000109786598 275179240 /nfs/dbraw/zinc/17/92/40/275179240.db2.gz DGDAMVCNAUUFPV-NRFANRHFSA-N 2 2 345.531 3.306 20 0 EGADLP Clc1cccc(-c2nnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)c1 ZINC000109795802 275179294 /nfs/dbraw/zinc/17/92/94/275179294.db2.gz FKYORLZQGCQOOI-UHFFFAOYSA-N 2 2 343.818 3.424 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594003 275197848 /nfs/dbraw/zinc/19/78/48/275197848.db2.gz MPABYVBODXGSLL-UYAOXDASSA-N 2 2 347.547 3.189 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173594003 275197849 /nfs/dbraw/zinc/19/78/49/275197849.db2.gz MPABYVBODXGSLL-UYAOXDASSA-N 2 2 347.547 3.189 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271887722 275238920 /nfs/dbraw/zinc/23/89/20/275238920.db2.gz WJWRWBJRVSYXMC-HOCLYGCPSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000271887722 275238921 /nfs/dbraw/zinc/23/89/21/275238921.db2.gz WJWRWBJRVSYXMC-HOCLYGCPSA-N 2 2 344.459 3.069 20 0 EGADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000277500527 275254679 /nfs/dbraw/zinc/25/46/79/275254679.db2.gz PGTIFQRDIKOGJT-LRDDRELGSA-N 2 2 345.830 3.398 20 0 EGADLP CC(=O)Nc1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278596092 275257452 /nfs/dbraw/zinc/25/74/52/275257452.db2.gz FICDTYJLZZSCRD-UHFFFAOYSA-N 2 2 339.439 3.392 20 0 EGADLP Oc1cc(F)cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279359340 275325242 /nfs/dbraw/zinc/32/52/42/275325242.db2.gz GVZIMDKFRIHVAP-UHFFFAOYSA-N 2 2 329.419 3.444 20 0 EGADLP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000279638556 275345956 /nfs/dbraw/zinc/34/59/56/275345956.db2.gz ALZCPQIELSQTGA-DYESRHJHSA-N 2 2 339.483 3.412 20 0 EGADLP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000338012360 275372151 /nfs/dbraw/zinc/37/21/51/275372151.db2.gz LXUAQNHNUNIYLM-HIFRSBDPSA-N 2 2 332.245 3.238 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCN(C(=O)Nc4ccccc4)C3)n2c1 ZINC000282923565 275683421 /nfs/dbraw/zinc/68/34/21/275683421.db2.gz HMEKRBLTCVHXIL-QGZVFWFLSA-N 2 2 349.438 3.039 20 0 EGADLP CC(C)[C@H](CN[C@H](c1[nH]cc[nH+]1)c1cccnc1)[NH+]1CCCCCC1 ZINC000194977450 276018452 /nfs/dbraw/zinc/01/84/52/276018452.db2.gz GWEISIRZABLSRJ-OALUTQOASA-N 2 2 341.503 3.384 20 0 EGADLP C[C@H]([NH2+]Cc1nccc(C(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286894190 276055029 /nfs/dbraw/zinc/05/50/29/276055029.db2.gz DEYNYAVINVJUPB-GOEBONIOSA-N 2 2 346.425 3.414 20 0 EGADLP C[C@H]([NH2+]Cc1nccc(C(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286894190 276055030 /nfs/dbraw/zinc/05/50/30/276055030.db2.gz DEYNYAVINVJUPB-GOEBONIOSA-N 2 2 346.425 3.414 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cc[nH+]c1C)c1ccco1 ZINC000287421232 276118202 /nfs/dbraw/zinc/11/82/02/276118202.db2.gz FYSKRYHLGHDCIT-OAHLLOKOSA-N 2 2 330.432 3.496 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCO1 ZINC000287455311 276121123 /nfs/dbraw/zinc/12/11/23/276121123.db2.gz LOZICUXIDNOFKV-NJAFHUGGSA-N 2 2 343.475 3.275 20 0 EGADLP COc1cc([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c(F)cn1 ZINC000287731742 276151644 /nfs/dbraw/zinc/15/16/44/276151644.db2.gz PEZULFZKXJKSAT-LBPRGKRZSA-N 2 2 328.391 3.238 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287929427 276170058 /nfs/dbraw/zinc/17/00/58/276170058.db2.gz WQHYEGNRHBTYEK-OLMNPRSZSA-N 2 2 333.863 3.023 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287929427 276170059 /nfs/dbraw/zinc/17/00/59/276170059.db2.gz WQHYEGNRHBTYEK-OLMNPRSZSA-N 2 2 333.863 3.023 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000289061033 276285751 /nfs/dbraw/zinc/28/57/51/276285751.db2.gz BYTBXFIHDZIRMY-NRFANRHFSA-N 3 2 337.511 3.477 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000289061033 276285752 /nfs/dbraw/zinc/28/57/52/276285752.db2.gz BYTBXFIHDZIRMY-NRFANRHFSA-N 3 2 337.511 3.477 20 0 EGADLP Cc1cc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)cc[nH+]1 ZINC000289159835 276298230 /nfs/dbraw/zinc/29/82/30/276298230.db2.gz WDZOQRIPUAKNIS-UHFFFAOYSA-N 2 2 349.438 3.067 20 0 EGADLP Cc1ccc([C@@H](O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000289430277 276338134 /nfs/dbraw/zinc/33/81/34/276338134.db2.gz RUJJXVIQXNSKAN-IBGZPJMESA-N 2 2 326.440 3.275 20 0 EGADLP C[NH+](C)CCN(Cc1cn2cc(Cl)ccc2[nH+]1)Cc1ccco1 ZINC000289431409 276338146 /nfs/dbraw/zinc/33/81/46/276338146.db2.gz KUEQNBBCPDWPKU-UHFFFAOYSA-N 2 2 332.835 3.145 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289463942 276343128 /nfs/dbraw/zinc/34/31/28/276343128.db2.gz IIOUNESBZOCIRB-GUYCJALGSA-N 2 2 336.842 3.293 20 0 EGADLP Cc1cn[nH]c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000289463942 276343129 /nfs/dbraw/zinc/34/31/29/276343129.db2.gz IIOUNESBZOCIRB-GUYCJALGSA-N 2 2 336.842 3.293 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000289508814 276350106 /nfs/dbraw/zinc/35/01/06/276350106.db2.gz FEPDSJRZKJKAOJ-WBVHZDCISA-N 2 2 333.501 3.392 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000289508814 276350107 /nfs/dbraw/zinc/35/01/07/276350107.db2.gz FEPDSJRZKJKAOJ-WBVHZDCISA-N 2 2 333.501 3.392 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000289543538 276355548 /nfs/dbraw/zinc/35/55/48/276355548.db2.gz FURYVAKTMXYVII-LJQANCHMSA-N 2 2 338.455 3.219 20 0 EGADLP COCCOCc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000289729304 276384858 /nfs/dbraw/zinc/38/48/58/276384858.db2.gz MMXFGFQKPSJDBL-UHFFFAOYSA-N 2 2 343.471 3.227 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C(C)(C)n2cncn2)[NH+]2CCCC2)cc1 ZINC000289779417 276392930 /nfs/dbraw/zinc/39/29/30/276392930.db2.gz NVQPERYLRVXQDK-IEBWSBKVSA-N 2 2 341.503 3.137 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000290063506 276441780 /nfs/dbraw/zinc/44/17/80/276441780.db2.gz XXMIKSRGAZLOFM-UHFFFAOYSA-N 2 2 346.393 3.002 20 0 EGADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(Br)nc1 ZINC000290610527 276519362 /nfs/dbraw/zinc/51/93/62/276519362.db2.gz HYXCTQFQHHZQDE-LBPRGKRZSA-N 2 2 335.249 3.392 20 0 EGADLP COc1cccc([C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)[NH+]2CCCC2)c1 ZINC000356850505 278022056 /nfs/dbraw/zinc/02/20/56/278022056.db2.gz QPQBINJUEMCIML-POAQFYNOSA-N 2 2 332.488 3.237 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nccn1C ZINC000376836958 278271881 /nfs/dbraw/zinc/27/18/81/278271881.db2.gz PRMFKDGMGJBJHN-OJAHFUOMSA-N 2 2 338.499 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nccn1C ZINC000376836958 278271882 /nfs/dbraw/zinc/27/18/82/278271882.db2.gz PRMFKDGMGJBJHN-OJAHFUOMSA-N 2 2 338.499 3.371 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684529 280335384 /nfs/dbraw/zinc/33/53/84/280335384.db2.gz OJWCQQNUJOZWQB-VHFSOBRXSA-N 2 2 330.472 3.227 20 0 EGADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000352684529 280335386 /nfs/dbraw/zinc/33/53/86/280335386.db2.gz OJWCQQNUJOZWQB-VHFSOBRXSA-N 2 2 330.472 3.227 20 0 EGADLP COC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C(C)C ZINC000153975332 293148499 /nfs/dbraw/zinc/14/84/99/293148499.db2.gz CEMDSKLOJHEWJD-HKUYNNGSSA-N 2 2 334.504 3.147 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072718805 307381611 /nfs/dbraw/zinc/38/16/11/307381611.db2.gz PALMVAZUNXRGLT-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000072718805 307381613 /nfs/dbraw/zinc/38/16/13/307381613.db2.gz PALMVAZUNXRGLT-RBUKOAKNSA-N 2 2 343.515 3.438 20 0 EGADLP C[C@H](C[NH2+][C@H](C)c1csc(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000414115679 309061895 /nfs/dbraw/zinc/06/18/95/309061895.db2.gz NIPXLJVJVKMWMA-HZPDHXFCSA-N 2 2 345.512 3.429 20 0 EGADLP OC[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309230 309072087 /nfs/dbraw/zinc/07/20/87/309072087.db2.gz JCQSCNWWUFZTGS-PZJWPPBQSA-N 2 2 342.458 3.156 20 0 EGADLP OC[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000414309230 309072088 /nfs/dbraw/zinc/07/20/88/309072088.db2.gz JCQSCNWWUFZTGS-PZJWPPBQSA-N 2 2 342.458 3.156 20 0 EGADLP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414318859 309072695 /nfs/dbraw/zinc/07/26/95/309072695.db2.gz YGMBZKFDQPTNRA-MAUKXSAKSA-N 2 2 339.414 3.438 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248822779 308012452 /nfs/dbraw/zinc/01/24/52/308012452.db2.gz YFGQRJMZOLQWEE-ZGXWSNOMSA-N 2 2 326.484 3.198 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248822779 308012454 /nfs/dbraw/zinc/01/24/54/308012454.db2.gz YFGQRJMZOLQWEE-ZGXWSNOMSA-N 2 2 326.484 3.198 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249159274 308020121 /nfs/dbraw/zinc/02/01/21/308020121.db2.gz YAYWPWCADKBLDL-NMVRNDPTSA-N 2 2 340.870 3.487 20 0 EGADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249159274 308020122 /nfs/dbraw/zinc/02/01/22/308020122.db2.gz YAYWPWCADKBLDL-NMVRNDPTSA-N 2 2 340.870 3.487 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000414445043 309080700 /nfs/dbraw/zinc/08/07/00/309080700.db2.gz RFPLJPMNURKGIO-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000414445043 309080701 /nfs/dbraw/zinc/08/07/01/309080701.db2.gz RFPLJPMNURKGIO-UHFFFAOYSA-N 2 2 327.407 3.038 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)c(Cl)nc21 ZINC000292859597 308073307 /nfs/dbraw/zinc/07/33/07/308073307.db2.gz VFBZYBSPKUVUML-SFHVURJKSA-N 2 2 347.894 3.193 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c(Cl)nc21 ZINC000292859597 308073308 /nfs/dbraw/zinc/07/33/08/308073308.db2.gz VFBZYBSPKUVUML-SFHVURJKSA-N 2 2 347.894 3.193 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c(Cl)nc21 ZINC000292859597 308073309 /nfs/dbraw/zinc/07/33/09/308073309.db2.gz VFBZYBSPKUVUML-SFHVURJKSA-N 2 2 347.894 3.193 20 0 EGADLP CC(C)n1ncc2cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)c(Cl)nc21 ZINC000292859597 308073310 /nfs/dbraw/zinc/07/33/10/308073310.db2.gz VFBZYBSPKUVUML-SFHVURJKSA-N 2 2 347.894 3.193 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292954087 308083773 /nfs/dbraw/zinc/08/37/73/308083773.db2.gz KTMAOSVVJGYTOQ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292954087 308083774 /nfs/dbraw/zinc/08/37/74/308083774.db2.gz KTMAOSVVJGYTOQ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292954087 308083775 /nfs/dbraw/zinc/08/37/75/308083775.db2.gz KTMAOSVVJGYTOQ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292954087 308083776 /nfs/dbraw/zinc/08/37/76/308083776.db2.gz KTMAOSVVJGYTOQ-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292978542 308086192 /nfs/dbraw/zinc/08/61/92/308086192.db2.gz MVSMYMOISGNYBX-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292978542 308086193 /nfs/dbraw/zinc/08/61/93/308086193.db2.gz MVSMYMOISGNYBX-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292978542 308086194 /nfs/dbraw/zinc/08/61/94/308086194.db2.gz MVSMYMOISGNYBX-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP CN(C)C(=O)Sc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292978542 308086195 /nfs/dbraw/zinc/08/61/95/308086195.db2.gz MVSMYMOISGNYBX-IBGZPJMESA-N 2 2 347.528 3.378 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047073 308093786 /nfs/dbraw/zinc/09/37/86/308093786.db2.gz SUJSVMUAHGZHTD-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293047073 308093787 /nfs/dbraw/zinc/09/37/87/308093787.db2.gz SUJSVMUAHGZHTD-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000293047073 308093789 /nfs/dbraw/zinc/09/37/89/308093789.db2.gz SUJSVMUAHGZHTD-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000293047073 308093790 /nfs/dbraw/zinc/09/37/90/308093790.db2.gz SUJSVMUAHGZHTD-XLIONFOSSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1nc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293145244 308103635 /nfs/dbraw/zinc/10/36/35/308103635.db2.gz BHDYSNWJEJZMKI-INIZCTEOSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1nc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000293145244 308103637 /nfs/dbraw/zinc/10/36/37/308103637.db2.gz BHDYSNWJEJZMKI-INIZCTEOSA-N 2 2 340.471 3.427 20 0 EGADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293646039 308149298 /nfs/dbraw/zinc/14/92/98/308149298.db2.gz HNMWGDNSFUPNNV-HOTGVXAUSA-N 2 2 328.460 3.075 20 0 EGADLP CCOc1c(OC)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293670650 308151638 /nfs/dbraw/zinc/15/16/38/308151638.db2.gz OUWMBJKUDSBIMH-HXUWFJFHSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000293670650 308151640 /nfs/dbraw/zinc/15/16/40/308151640.db2.gz OUWMBJKUDSBIMH-HXUWFJFHSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000293670650 308151642 /nfs/dbraw/zinc/15/16/42/308151642.db2.gz OUWMBJKUDSBIMH-HXUWFJFHSA-N 2 2 348.487 3.020 20 0 EGADLP CCOc1c(OC)cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000293670650 308151644 /nfs/dbraw/zinc/15/16/44/308151644.db2.gz OUWMBJKUDSBIMH-HXUWFJFHSA-N 2 2 348.487 3.020 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccnc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000293763186 308159683 /nfs/dbraw/zinc/15/96/83/308159683.db2.gz KFESOCYYWGPEIB-OCCSQVGLSA-N 2 2 335.249 3.124 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccnc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000293763186 308159685 /nfs/dbraw/zinc/15/96/85/308159685.db2.gz KFESOCYYWGPEIB-OCCSQVGLSA-N 2 2 335.249 3.124 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)c1C ZINC000293804473 308163430 /nfs/dbraw/zinc/16/34/30/308163430.db2.gz DNGNYQDMNJMCQF-FUHWJXTLSA-N 2 2 347.484 3.257 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000414540954 309087531 /nfs/dbraw/zinc/08/75/31/309087531.db2.gz HXEKTFYUAXJCLA-MRXNPFEDSA-N 2 2 331.485 3.214 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCc3csc(C)n3)cc2)C1 ZINC000414540954 309087532 /nfs/dbraw/zinc/08/75/32/309087532.db2.gz HXEKTFYUAXJCLA-MRXNPFEDSA-N 2 2 331.485 3.214 20 0 EGADLP Cc1cnc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000294952476 308275658 /nfs/dbraw/zinc/27/56/58/308275658.db2.gz FMWHYQMDLDPXCA-AWEZNQCLSA-N 2 2 348.491 3.193 20 0 EGADLP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000295253822 308307964 /nfs/dbraw/zinc/30/79/64/308307964.db2.gz UMAMJHLVPBHASN-CQSZACIVSA-N 2 2 346.500 3.102 20 0 EGADLP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000295253822 308307965 /nfs/dbraw/zinc/30/79/65/308307965.db2.gz UMAMJHLVPBHASN-CQSZACIVSA-N 2 2 346.500 3.102 20 0 EGADLP Cc1cccnc1C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295934279 308376248 /nfs/dbraw/zinc/37/62/48/308376248.db2.gz KNKDRIMDHSRPEC-KRWDZBQOSA-N 2 2 338.455 3.039 20 0 EGADLP Cc1cccnc1C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295934279 308376249 /nfs/dbraw/zinc/37/62/49/308376249.db2.gz KNKDRIMDHSRPEC-KRWDZBQOSA-N 2 2 338.455 3.039 20 0 EGADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414650633 309093535 /nfs/dbraw/zinc/09/35/35/309093535.db2.gz DLQMOFLFTFUIAF-CQSZACIVSA-N 2 2 346.393 3.340 20 0 EGADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414650633 309093536 /nfs/dbraw/zinc/09/35/36/309093536.db2.gz DLQMOFLFTFUIAF-CQSZACIVSA-N 2 2 346.393 3.340 20 0 EGADLP C[C@H](C[NH3+])[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414656233 309093867 /nfs/dbraw/zinc/09/38/67/309093867.db2.gz ICZGIURYTRUSJT-OAHLLOKOSA-N 2 2 340.496 3.439 20 0 EGADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000414656233 309093868 /nfs/dbraw/zinc/09/38/68/309093868.db2.gz ICZGIURYTRUSJT-OAHLLOKOSA-N 2 2 340.496 3.439 20 0 EGADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414657061 309093945 /nfs/dbraw/zinc/09/39/45/309093945.db2.gz JIBLYMNTASHSMW-HNNXBMFYSA-N 2 2 338.430 3.457 20 0 EGADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000414657061 309093946 /nfs/dbraw/zinc/09/39/46/309093946.db2.gz JIBLYMNTASHSMW-HNNXBMFYSA-N 2 2 338.430 3.457 20 0 EGADLP CC(C)(O)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000296531129 308437757 /nfs/dbraw/zinc/43/77/57/308437757.db2.gz DBPBNVIYIKBYJT-UHFFFAOYSA-N 2 2 335.451 3.449 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663973 309094281 /nfs/dbraw/zinc/09/42/81/309094281.db2.gz SMYIMNBNBLWJNJ-OCCSQVGLSA-N 2 2 346.393 3.196 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414663973 309094282 /nfs/dbraw/zinc/09/42/82/309094282.db2.gz SMYIMNBNBLWJNJ-OCCSQVGLSA-N 2 2 346.393 3.196 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414743508 309098448 /nfs/dbraw/zinc/09/84/48/309098448.db2.gz HGMHKQYQYZDKDC-DOTOQJQBSA-N 3 2 326.488 3.370 20 0 EGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414791960 309101615 /nfs/dbraw/zinc/10/16/15/309101615.db2.gz BQIBFMZPGAZNNS-QFBILLFUSA-N 3 2 335.923 3.412 20 0 EGADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414802662 309102396 /nfs/dbraw/zinc/10/23/96/309102396.db2.gz IQZOMXYPLUBXFY-MRXNPFEDSA-N 2 2 348.487 3.029 20 0 EGADLP Cc1cccn2cc(COc3ccc(C[NH2+]CC(C)(C)[NH3+])cc3)[nH+]c12 ZINC000414801245 309102470 /nfs/dbraw/zinc/10/24/70/309102470.db2.gz JCDZBIOYQAGNNK-UHFFFAOYSA-N 3 2 338.455 3.049 20 0 EGADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000414804348 309102506 /nfs/dbraw/zinc/10/25/06/309102506.db2.gz OQVJICUWFUPMTJ-GOSISDBHSA-N 2 2 343.858 3.419 20 0 EGADLP Oc1cccc(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1 ZINC000301410261 308699309 /nfs/dbraw/zinc/69/93/09/308699309.db2.gz OPLPOGQYUYVADH-UHFFFAOYSA-N 2 2 337.398 3.402 20 0 EGADLP CCc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000301503234 308702866 /nfs/dbraw/zinc/70/28/66/308702866.db2.gz BRZBEAFUMGTNMQ-IAGOWNOFSA-N 2 2 325.460 3.386 20 0 EGADLP CC(C)c1nc(NC2CC[NH+](CC3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000302017400 308725324 /nfs/dbraw/zinc/72/53/24/308725324.db2.gz YZPDXJSHTLGIJH-UHFFFAOYSA-N 2 2 346.523 3.128 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)CCC2 ZINC000331765946 308816876 /nfs/dbraw/zinc/81/68/76/308816876.db2.gz CDDBDXZQYPKFIU-INIZCTEOSA-N 2 2 346.519 3.086 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OCc1ccc(F)cc1 ZINC000414847390 309105389 /nfs/dbraw/zinc/10/53/89/309105389.db2.gz OOQWCGPKDDFJDB-GOSISDBHSA-N 2 2 344.430 3.255 20 0 EGADLP COc1cc2c(cc1C[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1)OCO2 ZINC000414854212 309105620 /nfs/dbraw/zinc/10/56/20/309105620.db2.gz YUDDONONRVQRMM-QGZVFWFLSA-N 2 2 342.439 3.337 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414876678 309106852 /nfs/dbraw/zinc/10/68/52/309106852.db2.gz WEHFQDYLLCCVKB-UHFFFAOYSA-N 2 2 335.455 3.024 20 0 EGADLP COCc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)c1 ZINC000414889496 309107471 /nfs/dbraw/zinc/10/74/71/309107471.db2.gz SULHFMJYIGCFKT-RTWAWAEBSA-N 2 2 340.467 3.077 20 0 EGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000414892809 309107770 /nfs/dbraw/zinc/10/77/70/309107770.db2.gz YQZXXTOPQDHZKW-SFHVURJKSA-N 2 2 332.451 3.299 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c(SC)cc1OC ZINC000414927940 309109637 /nfs/dbraw/zinc/10/96/37/309109637.db2.gz MRQDWTNFMGWDBE-QGZVFWFLSA-N 2 2 338.517 3.294 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)cs2)cc1 ZINC000414928374 309109721 /nfs/dbraw/zinc/10/97/21/309109721.db2.gz AWVCYNSZJXDYSP-HUUCEWRRSA-N 2 2 331.485 3.261 20 0 EGADLP COc1cccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)n1 ZINC000414934615 309109974 /nfs/dbraw/zinc/10/99/74/309109974.db2.gz FIASVAHCSLPNSP-QRWLVFNGSA-N 2 2 335.451 3.464 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3CCC[NH2+][C@@H]3C)cc2)cs1 ZINC000414936559 309110196 /nfs/dbraw/zinc/11/01/96/309110196.db2.gz CZJZFPPJTFJRDF-ACJLOTCBSA-N 2 2 331.485 3.261 20 0 EGADLP CCc1ncc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000414951695 309111055 /nfs/dbraw/zinc/11/10/55/309111055.db2.gz PZDZUZNEXSAVJZ-BBRMVZONSA-N 2 2 337.439 3.219 20 0 EGADLP Cn1cc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)c(-c2cccs2)n1 ZINC000414958628 309111551 /nfs/dbraw/zinc/11/15/51/309111551.db2.gz RHFODDYGTBFUHY-QGZVFWFLSA-N 2 2 338.480 3.125 20 0 EGADLP COCc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414961306 309111717 /nfs/dbraw/zinc/11/17/17/309111717.db2.gz YSNGWHQHHBOPPE-XLIONFOSSA-N 2 2 346.421 3.347 20 0 EGADLP Cc1nc(COc2ccc(C[NH2+][C@H]3CC[NH2+]C3(C)C)cc2)cs1 ZINC000415048337 309116422 /nfs/dbraw/zinc/11/64/22/309116422.db2.gz XDLOGIQHOWVTDW-KRWDZBQOSA-N 2 2 331.485 3.261 20 0 EGADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)n2)cc1 ZINC000415107912 309120843 /nfs/dbraw/zinc/12/08/43/309120843.db2.gz ODXNGIFVEBFHTB-IAGOWNOFSA-N 2 2 342.487 3.281 20 0 EGADLP C[C@@H]1CCC[C@@H](C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415126780 309122147 /nfs/dbraw/zinc/12/21/47/309122147.db2.gz GVEYKEAQXNRGPJ-UYAOXDASSA-N 3 2 329.532 3.396 20 0 EGADLP Cc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000415127553 309122446 /nfs/dbraw/zinc/12/24/46/309122446.db2.gz IOSACOBZLZGXFA-UHFFFAOYSA-N 3 2 341.474 3.217 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415132446 309122673 /nfs/dbraw/zinc/12/26/73/309122673.db2.gz LJDHUNSDIVDXHZ-UHFFFAOYSA-N 3 2 337.511 3.387 20 0 EGADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000415136249 309123138 /nfs/dbraw/zinc/12/31/38/309123138.db2.gz QZVRUWYXIBMQIV-GGPKGHCWSA-N 3 2 329.532 3.394 20 0 EGADLP Cc1cc(NC(=O)NC(C)(C)CCC[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000415462459 309134221 /nfs/dbraw/zinc/13/42/21/309134221.db2.gz OYDYRVOETKUEQA-OAHLLOKOSA-N 2 2 347.507 3.408 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416012697 309154657 /nfs/dbraw/zinc/15/46/57/309154657.db2.gz RFMRCBLWGOCJBT-QGZVFWFLSA-N 2 2 341.459 3.382 20 0 EGADLP CCn1c[nH+]cc1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000418113229 309235973 /nfs/dbraw/zinc/23/59/73/309235973.db2.gz JGOVTYZAFRLFQT-HNNXBMFYSA-N 2 2 328.243 3.207 20 0 EGADLP FC1(F)C[NH2+]CC[C@@H]1CNc1[nH+]cccc1OCc1ccccc1 ZINC000420278350 309279058 /nfs/dbraw/zinc/27/90/58/309279058.db2.gz IZIRKOGJOWBKMY-OAHLLOKOSA-N 2 2 333.382 3.317 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C)C[C@@H]3C[NH3+])n2)cc1F ZINC000420335566 309282981 /nfs/dbraw/zinc/28/29/81/309282981.db2.gz LQFSDHJBNNKKSS-XJKSGUPXSA-N 2 2 346.450 3.176 20 0 EGADLP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C)C[C@@H]3C[NH3+])n2)cc1F ZINC000420335566 309282982 /nfs/dbraw/zinc/28/29/82/309282982.db2.gz LQFSDHJBNNKKSS-XJKSGUPXSA-N 2 2 346.450 3.176 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000420355916 309283756 /nfs/dbraw/zinc/28/37/56/309283756.db2.gz FPRUQBTXGSLGCG-LJQANCHMSA-N 2 2 337.467 3.270 20 0 EGADLP CC1CCC(N(C(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)C2CC2)CC1 ZINC000420358169 309283976 /nfs/dbraw/zinc/28/39/76/309283976.db2.gz FBECCFDGJSBJCM-KVWWFHCMSA-N 2 2 335.536 3.053 20 0 EGADLP CC(C)c1ccc(-c2noc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)n2)cc1 ZINC000420359200 309284090 /nfs/dbraw/zinc/28/40/90/309284090.db2.gz JNKVXYPZDDUHRV-MRXNPFEDSA-N 2 2 328.460 3.338 20 0 EGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000420363841 309284427 /nfs/dbraw/zinc/28/44/27/309284427.db2.gz OHENRLFQONDNCT-GOSISDBHSA-N 2 2 325.456 3.402 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000420366457 309284497 /nfs/dbraw/zinc/28/44/97/309284497.db2.gz RCTKOMUTPWJXQJ-IBGZPJMESA-N 2 2 339.483 3.179 20 0 EGADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000420370630 309284796 /nfs/dbraw/zinc/28/47/96/309284796.db2.gz JYUYACNKJMZWNW-QGZVFWFLSA-N 2 2 336.439 3.337 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)cc1 ZINC000420371757 309284888 /nfs/dbraw/zinc/28/48/88/309284888.db2.gz DNQORMMCLURRAC-RHSMWYFYSA-N 2 2 328.460 3.277 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)cc1 ZINC000420371757 309284889 /nfs/dbraw/zinc/28/48/89/309284889.db2.gz DNQORMMCLURRAC-RHSMWYFYSA-N 2 2 328.460 3.277 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1Cl ZINC000420421186 309287110 /nfs/dbraw/zinc/28/71/10/309287110.db2.gz YMYMBUOZNUQZKJ-UUWFMWQGSA-N 2 2 336.838 3.061 20 0 EGADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c(C)noc1C ZINC000420929817 309301887 /nfs/dbraw/zinc/30/18/87/309301887.db2.gz DSOSPPCTMLZLFZ-LJQANCHMSA-N 2 2 343.471 3.365 20 0 EGADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959732 309304373 /nfs/dbraw/zinc/30/43/73/309304373.db2.gz GTZJBQXKBVKPGE-UHFFFAOYSA-N 2 2 343.471 3.149 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(Cl)cs3)CC2)CC1 ZINC000421375966 309321508 /nfs/dbraw/zinc/32/15/08/309321508.db2.gz PPIGRJGRGMDODL-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(Cl)cs3)CC2)CC1 ZINC000421375966 309321509 /nfs/dbraw/zinc/32/15/09/309321509.db2.gz PPIGRJGRGMDODL-UHFFFAOYSA-N 2 2 341.952 3.394 20 0 EGADLP COC1([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000421819388 309341264 /nfs/dbraw/zinc/34/12/64/309341264.db2.gz GVOUISHGTFNESC-SFHVURJKSA-N 2 2 346.515 3.346 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccncc1Cl ZINC000421819209 309341365 /nfs/dbraw/zinc/34/13/65/309341365.db2.gz FTXJSNIJYZLUSZ-HNNXBMFYSA-N 2 2 345.874 3.418 20 0 EGADLP CC[NH2+]CC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000423245901 309392251 /nfs/dbraw/zinc/39/22/51/309392251.db2.gz MQDJIOVXIMRYHW-IINYFYTJSA-N 2 2 329.307 3.431 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422214584 309358177 /nfs/dbraw/zinc/35/81/77/309358177.db2.gz SUXKJGBOHSJOCE-RBUKOAKNSA-N 2 2 346.519 3.398 20 0 EGADLP COc1ccc(Oc2cc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422695037 309363373 /nfs/dbraw/zinc/36/33/73/309363373.db2.gz OWVZYDWXBNRGOO-KDOFPFPSSA-N 2 2 327.428 3.113 20 0 EGADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000422695591 309363679 /nfs/dbraw/zinc/36/36/79/309363679.db2.gz QBAWIRYNQXYVQE-HZPDHXFCSA-N 2 2 327.428 3.242 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721637 309364857 /nfs/dbraw/zinc/36/48/57/309364857.db2.gz VWEAJSRKTPYDQJ-STZQEDGTSA-N 3 2 335.495 3.285 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000422721637 309364858 /nfs/dbraw/zinc/36/48/58/309364858.db2.gz VWEAJSRKTPYDQJ-STZQEDGTSA-N 3 2 335.495 3.285 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)ccn2)cc1 ZINC000422719184 309364890 /nfs/dbraw/zinc/36/48/90/309364890.db2.gz XUKUFZIPYBFYET-HNAYVOBHSA-N 2 2 341.455 3.360 20 0 EGADLP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422721199 309364958 /nfs/dbraw/zinc/36/49/58/309364958.db2.gz NPWNYCKPBNOTKB-AUUYWEPGSA-N 2 2 337.458 3.049 20 0 EGADLP C[C@@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422721199 309364959 /nfs/dbraw/zinc/36/49/59/309364959.db2.gz NPWNYCKPBNOTKB-AUUYWEPGSA-N 2 2 337.458 3.049 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000422724754 309365061 /nfs/dbraw/zinc/36/50/61/309365061.db2.gz WNTRHRCPURYQCT-CJNGLKHVSA-N 2 2 327.453 3.451 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730953 309365482 /nfs/dbraw/zinc/36/54/82/309365482.db2.gz MWLUOGZXTRXFLS-IAGOWNOFSA-N 2 2 342.314 3.427 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422733228 309365684 /nfs/dbraw/zinc/36/56/84/309365684.db2.gz QLKLWHXKRPBRCX-RDTXWAMCSA-N 3 2 344.528 3.398 20 0 EGADLP CCC(CC)(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000422758231 309366847 /nfs/dbraw/zinc/36/68/47/309366847.db2.gz IOIUSCGIKJIDRX-HNBVOPMISA-N 3 2 347.547 3.238 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCSCc1cccc2ccccc21 ZINC000422760323 309367078 /nfs/dbraw/zinc/36/70/78/309367078.db2.gz LUNGUXDCMLORDP-VQIMIIECSA-N 2 2 344.524 3.430 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000422774016 309367642 /nfs/dbraw/zinc/36/76/42/309367642.db2.gz ZSWFRQQGBAYAJX-QWFCFKBJSA-N 3 2 345.531 3.007 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1Oc1ccccc1 ZINC000422777887 309367759 /nfs/dbraw/zinc/36/77/59/309367759.db2.gz GOHDOWDHSXZPFC-FUHWJXTLSA-N 2 2 326.440 3.336 20 0 EGADLP CCC(CC)(C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000422773971 309367791 /nfs/dbraw/zinc/36/77/91/309367791.db2.gz ZNEOTWYTYLPJHY-GGPKGHCWSA-N 3 2 347.547 3.253 20 0 EGADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000422831038 309370776 /nfs/dbraw/zinc/37/07/76/309370776.db2.gz SDLMYLJNMURVER-PXNSSMCTSA-N 3 2 326.488 3.332 20 0 EGADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ncc(Br)cc1F ZINC000423342537 309396286 /nfs/dbraw/zinc/39/62/86/309396286.db2.gz NFGCIZTYXLQVRD-IINYFYTJSA-N 2 2 330.245 3.024 20 0 EGADLP CC(C)[C@H]([NH3+])CNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000422847251 309371821 /nfs/dbraw/zinc/37/18/21/309371821.db2.gz HVRDTPRRMLDQSY-MRXNPFEDSA-N 2 2 342.487 3.184 20 0 EGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422905496 309375688 /nfs/dbraw/zinc/37/56/88/309375688.db2.gz ZDVDVOKBOMFOSV-YPAWHYETSA-N 3 2 341.543 3.470 20 0 EGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)N(C)Cc1ccccc1 ZINC000422913956 309375973 /nfs/dbraw/zinc/37/59/73/309375973.db2.gz ZOCHJWOHFYQALP-BBTUJRGHSA-N 2 2 325.500 3.055 20 0 EGADLP CC(C)(C)c1nnc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC000422924307 309376353 /nfs/dbraw/zinc/37/63/53/309376353.db2.gz ALLIRTITPCZIHU-LSDHHAIUSA-N 2 2 330.501 3.419 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)cc2)cc1 ZINC000422926149 309376439 /nfs/dbraw/zinc/37/64/39/309376439.db2.gz WJPZCDYJOZXMRZ-JXFKEZNVSA-N 2 2 340.467 3.219 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422965352 309378752 /nfs/dbraw/zinc/37/87/52/309378752.db2.gz KVXNJLBVBJBOJG-UZLBHIALSA-N 2 2 332.488 3.002 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996520 309380025 /nfs/dbraw/zinc/38/00/25/309380025.db2.gz MJZPKDCKLMCVRO-HMXCVIKNSA-N 3 2 329.532 3.437 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422996520 309380026 /nfs/dbraw/zinc/38/00/26/309380026.db2.gz MJZPKDCKLMCVRO-HMXCVIKNSA-N 3 2 329.532 3.437 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423033205 309382002 /nfs/dbraw/zinc/38/20/02/309382002.db2.gz ZEADPOYNSGOWMB-SUYBPPKGSA-N 3 2 327.875 3.189 20 0 EGADLP C[C@H](CCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423033205 309382003 /nfs/dbraw/zinc/38/20/03/309382003.db2.gz ZEADPOYNSGOWMB-SUYBPPKGSA-N 3 2 327.875 3.189 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000423030845 309382009 /nfs/dbraw/zinc/38/20/09/309382009.db2.gz WNLWHEUYGXEBED-DFBGVHRSSA-N 2 2 334.357 3.176 20 0 EGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423061397 309383845 /nfs/dbraw/zinc/38/38/45/309383845.db2.gz KQBMTERKCNPTEQ-CJNGLKHVSA-N 2 2 342.874 3.275 20 0 EGADLP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423088861 309385433 /nfs/dbraw/zinc/38/54/33/309385433.db2.gz RAFKJHDSMBKBMP-YCPHGPKFSA-N 2 2 330.394 3.345 20 0 EGADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423104659 309386102 /nfs/dbraw/zinc/38/61/02/309386102.db2.gz MKCITBHHMMIURL-AGRHKRQWSA-N 2 2 344.480 3.276 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC(c2ccc(F)c(Cl)c2)C1 ZINC000423111386 309386413 /nfs/dbraw/zinc/38/64/13/309386413.db2.gz WLIWNPIEOBTNAA-VYESFELBSA-N 2 2 326.843 3.082 20 0 EGADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H]1CC[NH2+]C1 ZINC000423128619 309387490 /nfs/dbraw/zinc/38/74/90/309387490.db2.gz VWIZRCWHPYQCFT-XHDPSFHLSA-N 2 2 334.261 3.259 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000423133709 309387615 /nfs/dbraw/zinc/38/76/15/309387615.db2.gz VXSVJJJAZHDMSU-ZWOKBUDYSA-N 2 2 334.467 3.481 20 0 EGADLP Cn1cc[nH+]c1[C@H](NCC1([NH3+])CCCCC1)c1ccc(Cl)cc1 ZINC000423187620 309389668 /nfs/dbraw/zinc/38/96/68/309389668.db2.gz YHVVCGWABMYXPX-MRXNPFEDSA-N 2 2 332.879 3.414 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cn1 ZINC000423238786 309391952 /nfs/dbraw/zinc/39/19/52/309391952.db2.gz JLASVFRKVDGVNZ-HNAYVOBHSA-N 2 2 327.472 3.434 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)C12CCOCC2 ZINC000423251859 309392342 /nfs/dbraw/zinc/39/23/42/309392342.db2.gz WTDJBXMNIWQAFY-HSALFYBXSA-N 2 2 346.515 3.374 20 0 EGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423285215 309394209 /nfs/dbraw/zinc/39/42/09/309394209.db2.gz YAUYWATUKRETJP-PRHODGIISA-N 2 2 336.329 3.277 20 0 EGADLP [NH3+][C@H](C[NH2+][C@H](c1ccc(Br)cc1F)C1CC1)C1CC1 ZINC000423316718 309394973 /nfs/dbraw/zinc/39/49/73/309394973.db2.gz JZYFVXDQNTXYBZ-CABCVRRESA-N 2 2 327.241 3.366 20 0 EGADLP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C(C)C)c(Br)c1 ZINC000423321148 309395137 /nfs/dbraw/zinc/39/51/37/309395137.db2.gz MWBYZAXPIRUCOU-HOTGVXAUSA-N 2 2 341.293 3.482 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]([NH3+])C4CCC4)cc3)[nH+]c12 ZINC000423334138 309395768 /nfs/dbraw/zinc/39/57/68/309395768.db2.gz FOHBTFVBQADYCH-GOSISDBHSA-N 2 2 334.423 3.376 20 0 EGADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423346006 309396484 /nfs/dbraw/zinc/39/64/84/309396484.db2.gz YFICGMAHGUTAOD-GOEBONIOSA-N 2 2 330.394 3.167 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000423393337 309398428 /nfs/dbraw/zinc/39/84/28/309398428.db2.gz QZJCXERMRBSQRH-VQIMIIECSA-N 3 2 333.520 3.056 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)CCC[NH2+]1 ZINC000423414476 309399250 /nfs/dbraw/zinc/39/92/50/309399250.db2.gz NANDVVNBQJGALJ-QUCCMNQESA-N 2 2 332.488 3.382 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)CCC[NH2+]1 ZINC000423413819 309399256 /nfs/dbraw/zinc/39/92/56/309399256.db2.gz BBBAGCJICNDGSW-GUYCJALGSA-N 2 2 344.471 3.463 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423437877 309400400 /nfs/dbraw/zinc/40/04/00/309400400.db2.gz ULKMRECKLKXKCH-BBRMVZONSA-N 2 2 346.393 3.047 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423439264 309400427 /nfs/dbraw/zinc/40/04/27/309400427.db2.gz VJQBDFRVUPDBOC-DOMZBBRYSA-N 2 2 332.366 3.004 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)nnn1-c1ccc(C)cc1 ZINC000423533910 309405335 /nfs/dbraw/zinc/40/53/35/309405335.db2.gz UQNJPDPAWUIJGU-RDTXWAMCSA-N 2 2 327.476 3.052 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000423563082 309406352 /nfs/dbraw/zinc/40/63/52/309406352.db2.gz KPMASLLNSABRSY-INIZCTEOSA-N 3 2 329.513 3.392 20 0 EGADLP CC(C)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000423568884 309406598 /nfs/dbraw/zinc/40/65/98/309406598.db2.gz MMFVALLEHQUADI-HZPDHXFCSA-N 2 2 341.293 3.114 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000425235817 309469588 /nfs/dbraw/zinc/46/95/88/309469588.db2.gz JAAQCNZPMYKIEO-HNNXBMFYSA-N 2 2 335.455 3.028 20 0 EGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)n1C ZINC000425330460 309473582 /nfs/dbraw/zinc/47/35/82/309473582.db2.gz VSXVTNZWGVFAMN-UHFFFAOYSA-N 2 2 330.451 3.080 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)[C@]2(C)CCCO2)CCOCC1)c1ccccc1 ZINC000428234075 309545369 /nfs/dbraw/zinc/54/53/69/309545369.db2.gz XJQGKPJASIBYQJ-BJLQDIEVSA-N 2 2 346.515 3.434 20 0 EGADLP [NH3+]CC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC1 ZINC000430689785 309614971 /nfs/dbraw/zinc/61/49/71/309614971.db2.gz BCXDLFUTPTZUOF-UHFFFAOYSA-N 2 2 338.455 3.344 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)c1 ZINC000438129464 309807555 /nfs/dbraw/zinc/80/75/55/309807555.db2.gz QXIJPVYDVWMBMZ-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP c1c[nH]c([C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c2ccccc2)n1 ZINC000446825285 309968692 /nfs/dbraw/zinc/96/86/92/309968692.db2.gz YQCVXARMMULCDK-LJQANCHMSA-N 2 2 329.407 3.475 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449071606 310034841 /nfs/dbraw/zinc/03/48/41/310034841.db2.gz BODJWWVJVSJWFK-LBPRGKRZSA-N 2 2 345.244 3.372 20 0 EGADLP COc1cc(C)ccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000449093819 310036508 /nfs/dbraw/zinc/03/65/08/310036508.db2.gz YTVGYLRTFLQYCD-UHFFFAOYSA-N 2 2 340.467 3.126 20 0 EGADLP C[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2F)C1)[NH+](C)C ZINC000449224294 310045795 /nfs/dbraw/zinc/04/57/95/310045795.db2.gz LFPMRACJZVNOSM-ZBOXLXRLSA-N 2 2 329.257 3.374 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000449348191 310055825 /nfs/dbraw/zinc/05/58/25/310055825.db2.gz BMYDIZQTMWFIID-CQSZACIVSA-N 2 2 348.878 3.262 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449387586 310057913 /nfs/dbraw/zinc/05/79/13/310057913.db2.gz MDBSQKGALQJQMS-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449387586 310057914 /nfs/dbraw/zinc/05/79/14/310057914.db2.gz MDBSQKGALQJQMS-PBHICJAKSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388970 310058300 /nfs/dbraw/zinc/05/83/00/310058300.db2.gz QZUDMVKQQGTUIW-HOCLYGCPSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388970 310058301 /nfs/dbraw/zinc/05/83/01/310058301.db2.gz QZUDMVKQQGTUIW-HOCLYGCPSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449388968 310058343 /nfs/dbraw/zinc/05/83/43/310058343.db2.gz QZUDMVKQQGTUIW-GDBMZVCRSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449388968 310058344 /nfs/dbraw/zinc/05/83/44/310058344.db2.gz QZUDMVKQQGTUIW-GDBMZVCRSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)cc1Cl)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449481948 310065570 /nfs/dbraw/zinc/06/55/70/310065570.db2.gz WVRSVDFJLKYVDM-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@@H]([NH2+]Cc1nn(C)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449481948 310065571 /nfs/dbraw/zinc/06/55/71/310065571.db2.gz WVRSVDFJLKYVDM-GDBMZVCRSA-N 2 2 332.879 3.074 20 0 EGADLP CO[C@H]1C[C@H]([N@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630125 310076271 /nfs/dbraw/zinc/07/62/71/310076271.db2.gz HCQMRFBVHFSUCW-IRXDYDNUSA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@H]1C[C@H]([N@@H+](C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)C12CCC2 ZINC000449630125 310076272 /nfs/dbraw/zinc/07/62/72/310076272.db2.gz HCQMRFBVHFSUCW-IRXDYDNUSA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@H]1C[C@H]([NH+](C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C12CCC2 ZINC000449630125 310076273 /nfs/dbraw/zinc/07/62/73/310076273.db2.gz HCQMRFBVHFSUCW-IRXDYDNUSA-N 2 2 349.544 3.299 20 0 EGADLP CO[C@H]1C[C@H]([NH+](C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C12CCC2 ZINC000449630125 310076274 /nfs/dbraw/zinc/07/62/74/310076274.db2.gz HCQMRFBVHFSUCW-IRXDYDNUSA-N 2 2 349.544 3.299 20 0 EGADLP COc1cccnc1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449746842 310084103 /nfs/dbraw/zinc/08/41/03/310084103.db2.gz HEEDGZHTVXVNBG-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449751118 310084253 /nfs/dbraw/zinc/08/42/53/310084253.db2.gz XQDCISWMHKIOJX-FUHWJXTLSA-N 2 2 325.456 3.233 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449751118 310084254 /nfs/dbraw/zinc/08/42/54/310084254.db2.gz XQDCISWMHKIOJX-FUHWJXTLSA-N 2 2 325.456 3.233 20 0 EGADLP Nc1ncccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495998 310126253 /nfs/dbraw/zinc/12/62/53/310126253.db2.gz AJDMSUMAHIFVJT-UYAOXDASSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450495998 310126254 /nfs/dbraw/zinc/12/62/54/310126254.db2.gz AJDMSUMAHIFVJT-UYAOXDASSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450495998 310126255 /nfs/dbraw/zinc/12/62/55/310126255.db2.gz AJDMSUMAHIFVJT-UYAOXDASSA-N 2 2 336.483 3.150 20 0 EGADLP Nc1ncccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450495998 310126256 /nfs/dbraw/zinc/12/62/56/310126256.db2.gz AJDMSUMAHIFVJT-UYAOXDASSA-N 2 2 336.483 3.150 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000450696379 310137878 /nfs/dbraw/zinc/13/78/78/310137878.db2.gz GJSRSFQXHJDHEC-IBGZPJMESA-N 2 2 338.499 3.493 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000450696379 310137879 /nfs/dbraw/zinc/13/78/79/310137879.db2.gz GJSRSFQXHJDHEC-IBGZPJMESA-N 2 2 338.499 3.493 20 0 EGADLP CC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000450890650 310148231 /nfs/dbraw/zinc/14/82/31/310148231.db2.gz WECGNGNNZLMNEQ-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP CC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000450890650 310148232 /nfs/dbraw/zinc/14/82/32/310148232.db2.gz WECGNGNNZLMNEQ-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP CC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000450890650 310148233 /nfs/dbraw/zinc/14/82/33/310148233.db2.gz WECGNGNNZLMNEQ-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP CC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000450890650 310148234 /nfs/dbraw/zinc/14/82/34/310148234.db2.gz WECGNGNNZLMNEQ-SZPZYZBQSA-N 2 2 334.463 3.453 20 0 EGADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1OCCc2sccc21 ZINC000451059689 310158206 /nfs/dbraw/zinc/15/82/06/310158206.db2.gz IHUIEJKUPUAZJK-KXBFYZLASA-N 2 2 330.497 3.472 20 0 EGADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1OCCc2sccc21 ZINC000451059689 310158207 /nfs/dbraw/zinc/15/82/07/310158207.db2.gz IHUIEJKUPUAZJK-KXBFYZLASA-N 2 2 330.497 3.472 20 0 EGADLP CCc1nc(C)c(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000452108385 310212546 /nfs/dbraw/zinc/21/25/46/310212546.db2.gz DNHOANQBIUGGFM-UHFFFAOYSA-N 2 2 333.398 3.394 20 0 EGADLP CCc1nc(C)c(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000452108385 310212547 /nfs/dbraw/zinc/21/25/47/310212547.db2.gz DNHOANQBIUGGFM-UHFFFAOYSA-N 2 2 333.398 3.394 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000453051369 310254373 /nfs/dbraw/zinc/25/43/73/310254373.db2.gz BCAWAWXXTJKJPA-ROUUACIJSA-N 2 2 333.863 3.307 20 0 EGADLP Clc1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000453051367 310254426 /nfs/dbraw/zinc/25/44/26/310254426.db2.gz BCAWAWXXTJKJPA-MSOLQXFVSA-N 2 2 333.863 3.307 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2nccn21 ZINC000453092983 310257408 /nfs/dbraw/zinc/25/74/08/310257408.db2.gz ROWWQUXBWNTVFX-INMHGKMJSA-N 2 2 330.501 3.452 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCS2 ZINC000453257960 310267314 /nfs/dbraw/zinc/26/73/14/310267314.db2.gz HIVPXQOHKFMZRG-FUHWJXTLSA-N 2 2 334.529 3.277 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCS2 ZINC000453257960 310267315 /nfs/dbraw/zinc/26/73/15/310267315.db2.gz HIVPXQOHKFMZRG-FUHWJXTLSA-N 2 2 334.529 3.277 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455665447 310371880 /nfs/dbraw/zinc/37/18/80/310371880.db2.gz SRHSPXITIKUILK-CQSZACIVSA-N 2 2 343.456 3.129 20 0 EGADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1SC ZINC000459377032 310548302 /nfs/dbraw/zinc/54/83/02/310548302.db2.gz WTENINLGKYEOLI-OKYOBFRVSA-N 2 2 334.529 3.322 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)C ZINC000460489369 310583669 /nfs/dbraw/zinc/58/36/69/310583669.db2.gz JRCKKSDVJOFTLF-KRWDZBQOSA-N 2 2 337.552 3.125 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000486953985 311003721 /nfs/dbraw/zinc/00/37/21/311003721.db2.gz HIBBUFFWLHDTAB-GASCZTMLSA-N 2 2 340.895 3.328 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000486953985 311003724 /nfs/dbraw/zinc/00/37/24/311003724.db2.gz HIBBUFFWLHDTAB-GASCZTMLSA-N 2 2 340.895 3.328 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2CCSC2)CCOCC1)c1ccccc1 ZINC000487294817 311019326 /nfs/dbraw/zinc/01/93/26/311019326.db2.gz LARYHBVTDSVNBS-IRXDYDNUSA-N 2 2 334.529 3.229 20 0 EGADLP CC[N@H+](CCCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784975 311120484 /nfs/dbraw/zinc/12/04/84/311120484.db2.gz YUEGHBUVNIRHQX-MJGOQNOKSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000489784975 311120486 /nfs/dbraw/zinc/12/04/86/311120486.db2.gz YUEGHBUVNIRHQX-MJGOQNOKSA-N 2 2 346.519 3.075 20 0 EGADLP Fc1ccccc1N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492240776 311229063 /nfs/dbraw/zinc/22/90/63/311229063.db2.gz NPNSQQARCCGVJV-QGZVFWFLSA-N 2 2 336.414 3.380 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000492321387 311237987 /nfs/dbraw/zinc/23/79/87/311237987.db2.gz QMDODYONPVYVOW-KHPPLWFESA-N 2 2 326.444 3.397 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000492400753 311246224 /nfs/dbraw/zinc/24/62/24/311246224.db2.gz SXERCNFNCKOEHH-NVXWUHKLSA-N 2 2 344.528 3.314 20 0 EGADLP CC(C)c1nnc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000492400753 311246225 /nfs/dbraw/zinc/24/62/25/311246225.db2.gz SXERCNFNCKOEHH-NVXWUHKLSA-N 2 2 344.528 3.314 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000495258995 311545043 /nfs/dbraw/zinc/54/50/43/311545043.db2.gz IFAUWBYDSCVBFN-PMACEKPBSA-N 2 2 338.495 3.315 20 0 EGADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000496642649 311743008 /nfs/dbraw/zinc/74/30/08/311743008.db2.gz LFZJCXUKGZKXMN-CQSZACIVSA-N 2 2 336.480 3.002 20 0 EGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCOC1 ZINC000507466292 312073646 /nfs/dbraw/zinc/07/36/46/312073646.db2.gz CJKQOMYLTUDKNT-IRXDYDNUSA-N 2 2 326.550 3.143 20 0 EGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508690866 312099854 /nfs/dbraw/zinc/09/98/54/312099854.db2.gz LCAVAVSMXHOHOM-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508690866 312099856 /nfs/dbraw/zinc/09/98/56/312099856.db2.gz LCAVAVSMXHOHOM-AZUAARDMSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709146 312100276 /nfs/dbraw/zinc/10/02/76/312100276.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508709146 312100278 /nfs/dbraw/zinc/10/02/78/312100278.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709146 312100280 /nfs/dbraw/zinc/10/02/80/312100280.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]([NH2+]CC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709146 312100283 /nfs/dbraw/zinc/10/02/83/312100283.db2.gz FWFJCBYOJGYCOJ-QUCCMNQESA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714058 312100682 /nfs/dbraw/zinc/10/06/82/312100682.db2.gz GUXVYZBBZBOGMO-SESVDKBCSA-N 3 2 329.532 3.361 20 0 EGADLP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000508714058 312100683 /nfs/dbraw/zinc/10/06/83/312100683.db2.gz GUXVYZBBZBOGMO-SESVDKBCSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142778 312156039 /nfs/dbraw/zinc/15/60/39/312156039.db2.gz GFPMXVWBYXNKJM-CJNGLKHVSA-N 2 2 338.879 3.431 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142778 312156042 /nfs/dbraw/zinc/15/60/42/312156042.db2.gz GFPMXVWBYXNKJM-CJNGLKHVSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142778 312156045 /nfs/dbraw/zinc/15/60/45/312156045.db2.gz GFPMXVWBYXNKJM-CJNGLKHVSA-N 2 2 338.879 3.431 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C ZINC000511142778 312156047 /nfs/dbraw/zinc/15/60/47/312156047.db2.gz GFPMXVWBYXNKJM-CJNGLKHVSA-N 2 2 338.879 3.431 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C1CC[NH+](CCO)CC1 ZINC000513531202 312212695 /nfs/dbraw/zinc/21/26/95/312212695.db2.gz SMFRZXFDPLBFDC-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C1CC[NH+](CCO)CC1 ZINC000513531202 312212697 /nfs/dbraw/zinc/21/26/97/312212697.db2.gz SMFRZXFDPLBFDC-UHFFFAOYSA-N 2 2 348.487 3.443 20 0 EGADLP C[C@H](C[NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000515344200 312277755 /nfs/dbraw/zinc/27/77/55/312277755.db2.gz BELHOFZYHBVSSA-HUUCEWRRSA-N 2 2 344.421 3.367 20 0 EGADLP C[NH+](C)[C@]1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CCSC1 ZINC000515710348 312295238 /nfs/dbraw/zinc/29/52/38/312295238.db2.gz GTWJXJUMINMCPD-IMRCBTMISA-N 2 2 326.456 3.238 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@H]3CCC[C@@H]3C3CC3)c12 ZINC000516014807 312305868 /nfs/dbraw/zinc/30/58/68/312305868.db2.gz PTUNWHDTEWDZIR-GDBMZVCRSA-N 2 2 334.427 3.449 20 0 EGADLP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000516296169 312319194 /nfs/dbraw/zinc/31/91/94/312319194.db2.gz FEXXINXDKOVZHE-NWDGAFQWSA-N 2 2 333.819 3.383 20 0 EGADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000516296168 312319244 /nfs/dbraw/zinc/31/92/44/312319244.db2.gz FEXXINXDKOVZHE-NEPJUHHUSA-N 2 2 333.819 3.383 20 0 EGADLP Cc1ccccc1CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000516454133 312323785 /nfs/dbraw/zinc/32/37/85/312323785.db2.gz OHDRKHFWZPLTJB-LJQANCHMSA-N 2 2 337.467 3.155 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc(F)c3)CC2)c1 ZINC000517538005 312382375 /nfs/dbraw/zinc/38/23/75/312382375.db2.gz BYPLRJJOIQGAFQ-UHFFFAOYSA-N 2 2 341.474 3.436 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)CCC2 ZINC000525682760 312740979 /nfs/dbraw/zinc/74/09/79/312740979.db2.gz AYMQHWYZKSYFKR-ZDUSSCGKSA-N 2 2 327.457 3.310 20 0 EGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000087790522 454088667 /nfs/dbraw/zinc/08/86/67/454088667.db2.gz OHPYZSDANMRLHR-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000087790522 454088670 /nfs/dbraw/zinc/08/86/70/454088670.db2.gz OHPYZSDANMRLHR-RYUDHWBXSA-N 2 2 327.266 3.017 20 0 EGADLP CCC[N@H+](Cc1cc(OC)ccc1Br)C1CC[NH2+]CC1 ZINC000087790405 454089300 /nfs/dbraw/zinc/08/93/00/454089300.db2.gz ALRYPUGJXHWHEP-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP CCC[N@@H+](Cc1cc(OC)ccc1Br)C1CC[NH2+]CC1 ZINC000087790405 454089303 /nfs/dbraw/zinc/08/93/03/454089303.db2.gz ALRYPUGJXHWHEP-UHFFFAOYSA-N 2 2 341.293 3.422 20 0 EGADLP COc1ccc[nH+]c1NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000527842892 312955521 /nfs/dbraw/zinc/95/55/21/312955521.db2.gz MAFLAUIIBPXUMA-HOTGVXAUSA-N 2 2 341.455 3.312 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000087787625 454089366 /nfs/dbraw/zinc/08/93/66/454089366.db2.gz BJMAQAPMCFQTKZ-GFCCVEGCSA-N 2 2 339.277 3.032 20 0 EGADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000087787625 454089368 /nfs/dbraw/zinc/08/93/68/454089368.db2.gz BJMAQAPMCFQTKZ-GFCCVEGCSA-N 2 2 339.277 3.032 20 0 EGADLP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528431591 313092390 /nfs/dbraw/zinc/09/23/90/313092390.db2.gz WUIPCFJNHDAPHU-LJQANCHMSA-N 2 2 343.446 3.355 20 0 EGADLP Cc1ccc2ncc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)cc2c1 ZINC000528727774 313157827 /nfs/dbraw/zinc/15/78/27/313157827.db2.gz GTILHRQZHCKUFU-UHFFFAOYSA-N 2 2 339.483 3.230 20 0 EGADLP C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774285 313170332 /nfs/dbraw/zinc/17/03/32/313170332.db2.gz UMZAIEMRGKFODR-AEFFLSMTSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000528774285 313170335 /nfs/dbraw/zinc/17/03/35/313170335.db2.gz UMZAIEMRGKFODR-AEFFLSMTSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@@H]1CC(F)(F)CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000528774285 313170338 /nfs/dbraw/zinc/17/03/38/313170338.db2.gz UMZAIEMRGKFODR-AEFFLSMTSA-N 2 2 338.442 3.397 20 0 EGADLP C[C@@H]1CC(F)(F)CC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000528774285 313170339 /nfs/dbraw/zinc/17/03/39/313170339.db2.gz UMZAIEMRGKFODR-AEFFLSMTSA-N 2 2 338.442 3.397 20 0 EGADLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000529568187 313358196 /nfs/dbraw/zinc/35/81/96/313358196.db2.gz SQLIANASHXBVAL-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000529568187 313358199 /nfs/dbraw/zinc/35/81/99/313358199.db2.gz SQLIANASHXBVAL-UHFFFAOYSA-N 2 2 327.350 3.433 20 0 EGADLP Cc1oc2ccccc2c1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529664580 313381081 /nfs/dbraw/zinc/38/10/81/313381081.db2.gz RNRLZCIINRBESK-UHFFFAOYSA-N 2 2 328.456 3.428 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)n1-c1ccccc1 ZINC000529666068 313381886 /nfs/dbraw/zinc/38/18/86/313381886.db2.gz PIVOSLXJXGPVHI-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)n1-c1ccccc1 ZINC000529666068 313381888 /nfs/dbraw/zinc/38/18/88/313381888.db2.gz PIVOSLXJXGPVHI-UHFFFAOYSA-N 2 2 345.450 3.406 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)[nH+]cc1C)c1ccsc1 ZINC000535061177 314022030 /nfs/dbraw/zinc/02/20/30/314022030.db2.gz SCHNTEBYFOYHCH-QGZVFWFLSA-N 2 2 346.500 3.386 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(C)c[nH+]1 ZINC000535773437 314072025 /nfs/dbraw/zinc/07/20/25/314072025.db2.gz PWXKQWXUFIXBSR-KRWDZBQOSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c[nH+]1 ZINC000536618179 314130685 /nfs/dbraw/zinc/13/06/85/314130685.db2.gz SBTABBQDTSKZGQ-UHFFFAOYSA-N 2 2 338.455 3.038 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000537477701 314183749 /nfs/dbraw/zinc/18/37/49/314183749.db2.gz KEPQONCKWMNSAX-QHAWAJNXSA-N 2 2 330.516 3.487 20 0 EGADLP CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000537477701 314183753 /nfs/dbraw/zinc/18/37/53/314183753.db2.gz KEPQONCKWMNSAX-QHAWAJNXSA-N 2 2 330.516 3.487 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000537959243 314220285 /nfs/dbraw/zinc/22/02/85/314220285.db2.gz YWPLWHKXFPWPSL-LAUBAEHRSA-N 2 2 339.483 3.399 20 0 EGADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(C)c1 ZINC000537959243 314220289 /nfs/dbraw/zinc/22/02/89/314220289.db2.gz YWPLWHKXFPWPSL-LAUBAEHRSA-N 2 2 339.483 3.399 20 0 EGADLP c1cc(NC2CCCCC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000538609992 314258201 /nfs/dbraw/zinc/25/82/01/314258201.db2.gz GQEHUCRJPCZCPD-UHFFFAOYSA-N 2 2 328.460 3.182 20 0 EGADLP CCCc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C(C)C)cc1 ZINC000540301718 314373015 /nfs/dbraw/zinc/37/30/15/314373015.db2.gz NTQDLOQDRYAERG-VQTJNVASSA-N 2 2 345.531 3.266 20 0 EGADLP CCCc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C(C)C)cc1 ZINC000540301718 314373021 /nfs/dbraw/zinc/37/30/21/314373021.db2.gz NTQDLOQDRYAERG-VQTJNVASSA-N 2 2 345.531 3.266 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](C)c2cccc(C)c2)CC1 ZINC000546623135 314839646 /nfs/dbraw/zinc/83/96/46/314839646.db2.gz UIRBKWFBBOEBHS-KRWDZBQOSA-N 2 2 332.488 3.106 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000548635913 315028676 /nfs/dbraw/zinc/02/86/76/315028676.db2.gz WGJSYIRAPXROPS-KBPBESRZSA-N 2 2 346.862 3.167 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678886 315034161 /nfs/dbraw/zinc/03/41/61/315034161.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678886 315034165 /nfs/dbraw/zinc/03/41/65/315034165.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678886 315034167 /nfs/dbraw/zinc/03/41/67/315034167.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000548678886 315034170 /nfs/dbraw/zinc/03/41/70/315034170.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678886 315034172 /nfs/dbraw/zinc/03/41/72/315034172.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678886 315034175 /nfs/dbraw/zinc/03/41/75/315034175.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678886 315034178 /nfs/dbraw/zinc/03/41/78/315034178.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000548678886 315034182 /nfs/dbraw/zinc/03/41/82/315034182.db2.gz ZSPBGZPKQDERLB-LJQANCHMSA-N 2 2 349.482 3.444 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877458 315057983 /nfs/dbraw/zinc/05/79/83/315057983.db2.gz QIEXIBJISMGWIZ-ROUUACIJSA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1Oc1cc[nH+]cc1 ZINC000548877458 315057984 /nfs/dbraw/zinc/05/79/84/315057984.db2.gz QIEXIBJISMGWIZ-ROUUACIJSA-N 2 2 337.423 3.231 20 0 EGADLP CC(C)OC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699695 315164260 /nfs/dbraw/zinc/16/42/60/315164260.db2.gz MBJCQLBBMGPBRG-OAQYLSRUSA-N 2 2 346.515 3.167 20 0 EGADLP CC(C)OC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699695 315164262 /nfs/dbraw/zinc/16/42/62/315164262.db2.gz MBJCQLBBMGPBRG-OAQYLSRUSA-N 2 2 346.515 3.167 20 0 EGADLP Cn1cc[nH+]c1[C@H](NC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000552553227 315224619 /nfs/dbraw/zinc/22/46/19/315224619.db2.gz HUIMQKVRPAUSGI-QGZVFWFLSA-N 2 2 348.878 3.011 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000555538045 315388929 /nfs/dbraw/zinc/38/89/29/315388929.db2.gz OVMQLUFDJHUHGZ-UONOGXRCSA-N 2 2 335.289 3.133 20 0 EGADLP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000555538045 315388932 /nfs/dbraw/zinc/38/89/32/315388932.db2.gz OVMQLUFDJHUHGZ-UONOGXRCSA-N 2 2 335.289 3.133 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000558200367 315555252 /nfs/dbraw/zinc/55/52/52/315555252.db2.gz JGOAFWLXLDDULK-UHFFFAOYSA-N 2 2 332.492 3.240 20 0 EGADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108265 /nfs/dbraw/zinc/10/82/65/316108265.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108270 /nfs/dbraw/zinc/10/82/70/316108270.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108273 /nfs/dbraw/zinc/10/82/73/316108273.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000564070210 316108276 /nfs/dbraw/zinc/10/82/76/316108276.db2.gz PXIMPWUNAQFMQT-CWJKEVGVSA-N 3 2 329.532 3.215 20 0 EGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC[NH+]1CCCC1 ZINC000564108617 316114447 /nfs/dbraw/zinc/11/44/47/316114447.db2.gz OOQYUMTYEBHIKL-LBPRGKRZSA-N 2 2 329.257 3.205 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC4(CCCO4)CC3)[nH+]c2)C1 ZINC000564748234 316198283 /nfs/dbraw/zinc/19/82/83/316198283.db2.gz RTQNMAXEFITTNS-IPCDKGFNSA-N 2 2 344.503 3.126 20 0 EGADLP CS[C@H](C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000564792616 316206667 /nfs/dbraw/zinc/20/66/67/316206667.db2.gz OISAKEVZJSAYFL-MAUKXSAKSA-N 2 2 349.544 3.381 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1C ZINC000565241173 316297304 /nfs/dbraw/zinc/29/73/04/316297304.db2.gz AFWMYNUVNXVHSK-IRXDYDNUSA-N 3 2 340.515 3.496 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]1 ZINC000565645261 316351628 /nfs/dbraw/zinc/35/16/28/316351628.db2.gz SSGSPLRHBVCFMZ-BXUZGUMPSA-N 2 2 349.276 3.069 20 0 EGADLP CC(C)Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[NH+](C)C)cc1 ZINC000567707366 316660714 /nfs/dbraw/zinc/66/07/14/316660714.db2.gz RERYXJVOMIUXRC-DLBZAZTESA-N 2 2 346.437 3.391 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(C)c(F)c3)c2cc1C ZINC000570178911 317019399 /nfs/dbraw/zinc/01/93/99/317019399.db2.gz RUPCAWNCOGIZSV-QGZVFWFLSA-N 2 2 341.430 3.251 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462601 317059345 /nfs/dbraw/zinc/05/93/45/317059345.db2.gz IOKDSEUDDKSQQV-YJBOKZPZSA-N 2 2 336.439 3.223 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1noc2ccccc12 ZINC000570462601 317059350 /nfs/dbraw/zinc/05/93/50/317059350.db2.gz IOKDSEUDDKSQQV-YJBOKZPZSA-N 2 2 336.439 3.223 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000571842994 317254712 /nfs/dbraw/zinc/25/47/12/317254712.db2.gz ZVSAQTTVXZZUBO-QGZVFWFLSA-N 2 2 340.895 3.281 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000571842994 317254719 /nfs/dbraw/zinc/25/47/19/317254719.db2.gz ZVSAQTTVXZZUBO-QGZVFWFLSA-N 2 2 340.895 3.281 20 0 EGADLP CC[C@]([NH2+]CCCc1c[nH+]cn1C)(C(=O)OC)c1ccc(Cl)cc1 ZINC000572494310 317347519 /nfs/dbraw/zinc/34/75/19/317347519.db2.gz QWWZLUQODCWYCA-GOSISDBHSA-N 2 2 349.862 3.074 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3nnc4ccccn43)CC23CC3)cc1 ZINC000572720110 317381090 /nfs/dbraw/zinc/38/10/90/317381090.db2.gz DUYOZPAEMBCYRK-SFHVURJKSA-N 2 2 347.466 3.016 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3nnc4ccccn43)CC23CC3)cc1 ZINC000572720110 317381094 /nfs/dbraw/zinc/38/10/94/317381094.db2.gz DUYOZPAEMBCYRK-SFHVURJKSA-N 2 2 347.466 3.016 20 0 EGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000573339776 317472328 /nfs/dbraw/zinc/47/23/28/317472328.db2.gz XEGUGQXMXCVELI-HZPDHXFCSA-N 2 2 335.467 3.253 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000180179951 455145124 /nfs/dbraw/zinc/14/51/24/455145124.db2.gz DAFVJRMGLVAAOZ-OAHLLOKOSA-N 2 2 334.426 3.485 20 0 EGADLP Cc1cccn2c(C[NH2+]CCCC(=O)N3CCc4ccccc43)c[nH+]c12 ZINC000174382410 323305425 /nfs/dbraw/zinc/30/54/25/323305425.db2.gz PHAMGOKJPBICPM-UHFFFAOYSA-N 2 2 348.450 3.102 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc([S@](C)=O)cc1 ZINC000177806799 323345863 /nfs/dbraw/zinc/34/58/63/323345863.db2.gz XPCCHLIARVNFHR-OWJWWREXSA-N 2 2 339.464 3.461 20 0 EGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ncc(Br)s1 ZINC000179195444 323373862 /nfs/dbraw/zinc/37/38/62/323373862.db2.gz ABPAJBATSNFKHQ-NSHDSACASA-N 2 2 332.311 3.432 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179210961 323374712 /nfs/dbraw/zinc/37/47/12/323374712.db2.gz HUVMNGUDNUUAIA-QWRGUYRKSA-N 2 2 332.311 3.288 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ncc(Br)s2)C1 ZINC000179210961 323374716 /nfs/dbraw/zinc/37/47/16/323374716.db2.gz HUVMNGUDNUUAIA-QWRGUYRKSA-N 2 2 332.311 3.288 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263724 /nfs/dbraw/zinc/26/37/24/324263724.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[NH+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263727 /nfs/dbraw/zinc/26/37/27/324263727.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@@H+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263729 /nfs/dbraw/zinc/26/37/29/324263729.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 3 2 339.527 3.113 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CC[N@H+]5CCCC[C@@H]45)[C@@H]3C2)cc1 ZINC000385803315 324263731 /nfs/dbraw/zinc/26/37/31/324263731.db2.gz KKXWGCYTCJSPEN-PPGORRQASA-N 3 2 339.527 3.113 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870874 324285207 /nfs/dbraw/zinc/28/52/07/324285207.db2.gz QHXSUVWIGHWPNY-RDJZCZTQSA-N 2 2 344.421 3.190 20 0 EGADLP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870874 324285212 /nfs/dbraw/zinc/28/52/12/324285212.db2.gz QHXSUVWIGHWPNY-RDJZCZTQSA-N 2 2 344.421 3.190 20 0 EGADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000578760638 325014345 /nfs/dbraw/zinc/01/43/45/325014345.db2.gz VRUWDFRCJIEDSM-SFHVURJKSA-N 2 2 334.423 3.186 20 0 EGADLP C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Cc2[nH]c3ccccc3[nH+]2)c1 ZINC000578760638 325014350 /nfs/dbraw/zinc/01/43/50/325014350.db2.gz VRUWDFRCJIEDSM-SFHVURJKSA-N 2 2 334.423 3.186 20 0 EGADLP [NH3+]C[C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000579931869 325178235 /nfs/dbraw/zinc/17/82/35/325178235.db2.gz PVDNZMHVVPKFQK-CQSZACIVSA-N 2 2 326.400 3.077 20 0 EGADLP Cc1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080302 325201438 /nfs/dbraw/zinc/20/14/38/325201438.db2.gz CBLMQMRGTWVYKQ-GJZGRUSLSA-N 2 2 331.847 3.345 20 0 EGADLP Cc1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)oc1-c1ccc(Cl)cc1 ZINC000580080302 325201441 /nfs/dbraw/zinc/20/14/41/325201441.db2.gz CBLMQMRGTWVYKQ-GJZGRUSLSA-N 2 2 331.847 3.345 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(C)c[nH+]1 ZINC000580168946 325212359 /nfs/dbraw/zinc/21/23/59/325212359.db2.gz CPCDYFBJEZYHNK-QGZVFWFLSA-N 2 2 326.444 3.065 20 0 EGADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)Cc1ccccc1)[NH+](C)C ZINC000580829528 325300162 /nfs/dbraw/zinc/30/01/62/325300162.db2.gz PIBKLLUPVFEYQB-QFUCXCTJSA-N 2 2 326.484 3.179 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000581057364 325325640 /nfs/dbraw/zinc/32/56/40/325325640.db2.gz STYXXAWGDLMULL-INIZCTEOSA-N 2 2 344.503 3.004 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000581057364 325325643 /nfs/dbraw/zinc/32/56/43/325325643.db2.gz STYXXAWGDLMULL-INIZCTEOSA-N 2 2 344.503 3.004 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000581079697 325328217 /nfs/dbraw/zinc/32/82/17/325328217.db2.gz FRPXWBJJHQPOOO-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000581079697 325328220 /nfs/dbraw/zinc/32/82/20/325328220.db2.gz FRPXWBJJHQPOOO-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP CCc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000581551096 325371020 /nfs/dbraw/zinc/37/10/20/325371020.db2.gz AUGRDOGIFLPELO-IAGOWNOFSA-N 2 2 327.497 3.414 20 0 EGADLP CCc1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000581551096 325371023 /nfs/dbraw/zinc/37/10/23/325371023.db2.gz AUGRDOGIFLPELO-IAGOWNOFSA-N 2 2 327.497 3.414 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383044 /nfs/dbraw/zinc/38/30/44/325383044.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383045 /nfs/dbraw/zinc/38/30/45/325383045.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383046 /nfs/dbraw/zinc/38/30/46/325383046.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 3 2 329.532 3.215 20 0 EGADLP CC(C)[NH+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000581696547 325383047 /nfs/dbraw/zinc/38/30/47/325383047.db2.gz PXIMPWUNAQFMQT-MJUUVYJYSA-N 3 2 329.532 3.215 20 0 EGADLP Cc1cccn2c(C[NH2+]C[C@]3(O)CCC[C@@H](C(F)(F)F)C3)c[nH+]c12 ZINC000189600632 455222864 /nfs/dbraw/zinc/22/28/64/455222864.db2.gz UYIDGEWDCQYGLG-CJNGLKHVSA-N 2 2 341.377 3.216 20 0 EGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253494 457889181 /nfs/dbraw/zinc/88/91/81/457889181.db2.gz NVBLEDIXFWWKDO-YGRLFVJLSA-N 2 2 335.300 3.089 20 0 EGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)C1 ZINC000358253494 457889186 /nfs/dbraw/zinc/88/91/86/457889186.db2.gz NVBLEDIXFWWKDO-YGRLFVJLSA-N 2 2 335.300 3.089 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1F ZINC000427838731 458042874 /nfs/dbraw/zinc/04/28/74/458042874.db2.gz CHQZNURZKOAJJI-PWSUYJOCSA-N 2 2 338.224 3.450 20 0 EGADLP CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000157875810 455243278 /nfs/dbraw/zinc/24/32/78/455243278.db2.gz FAUUXZIDNUBADA-MRXNPFEDSA-N 2 2 348.450 3.125 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734458 459304542 /nfs/dbraw/zinc/30/45/42/459304542.db2.gz MXRWMQBCWIJFOV-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP Cc1cccn2cc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)[nH+]c12 ZINC000264703406 455266348 /nfs/dbraw/zinc/26/63/48/455266348.db2.gz CTQBITCFUVUTLO-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245448433 455304409 /nfs/dbraw/zinc/30/44/09/455304409.db2.gz MWIFIZPNEVUTFP-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245448433 455304412 /nfs/dbraw/zinc/30/44/12/455304412.db2.gz MWIFIZPNEVUTFP-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448433 455304417 /nfs/dbraw/zinc/30/44/17/455304417.db2.gz MWIFIZPNEVUTFP-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448433 455304421 /nfs/dbraw/zinc/30/44/21/455304421.db2.gz MWIFIZPNEVUTFP-SJORKVTESA-N 2 2 345.531 3.412 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641211 455321232 /nfs/dbraw/zinc/32/12/32/455321232.db2.gz HVBINEDKFBSMQA-FPOVZHCZSA-N 2 2 343.515 3.060 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641211 455321236 /nfs/dbraw/zinc/32/12/36/455321236.db2.gz HVBINEDKFBSMQA-FPOVZHCZSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641211 455321238 /nfs/dbraw/zinc/32/12/38/455321238.db2.gz HVBINEDKFBSMQA-FPOVZHCZSA-N 2 2 343.515 3.060 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000173641211 455321241 /nfs/dbraw/zinc/32/12/41/455321241.db2.gz HVBINEDKFBSMQA-FPOVZHCZSA-N 2 2 343.515 3.060 20 0 EGADLP CC(C)[N@@H+]1CCCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000265529819 455339548 /nfs/dbraw/zinc/33/95/48/455339548.db2.gz MKHWKUBVCSIWGG-UHFFFAOYSA-N 2 2 341.459 3.035 20 0 EGADLP CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000265529819 455339553 /nfs/dbraw/zinc/33/95/53/455339553.db2.gz MKHWKUBVCSIWGG-UHFFFAOYSA-N 2 2 341.459 3.035 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000623572772 460617739 /nfs/dbraw/zinc/61/77/39/460617739.db2.gz NIEFLUXGOAFCSS-ZDUSSCGKSA-N 2 2 334.407 3.110 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)c2ccsc2)n1-c1ccccc1 ZINC000084046619 453966438 /nfs/dbraw/zinc/96/64/38/453966438.db2.gz MXQGPLVZIHPQOH-GOSISDBHSA-N 2 2 327.453 3.240 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000084673145 454004907 /nfs/dbraw/zinc/00/49/07/454004907.db2.gz HODPQUMGGVUHRJ-SJORKVTESA-N 2 2 326.444 3.095 20 0 EGADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000068252220 454011348 /nfs/dbraw/zinc/01/13/48/454011348.db2.gz PHSHHGHJNSXRDI-UHFFFAOYSA-N 2 2 349.478 3.028 20 0 EGADLP CCc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000068693445 454045063 /nfs/dbraw/zinc/04/50/63/454045063.db2.gz IXIFPKSHOBAEJS-OAHLLOKOSA-N 2 2 325.460 3.243 20 0 EGADLP CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000068693445 454045067 /nfs/dbraw/zinc/04/50/67/454045067.db2.gz IXIFPKSHOBAEJS-OAHLLOKOSA-N 2 2 325.460 3.243 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000076898402 454047294 /nfs/dbraw/zinc/04/72/94/454047294.db2.gz FGJOGFAJAHUFQR-LBPRGKRZSA-N 2 2 334.357 3.045 20 0 EGADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000089369303 454142365 /nfs/dbraw/zinc/14/23/65/454142365.db2.gz CMAIIYAXTNVHIV-KRWDZBQOSA-N 2 2 342.487 3.102 20 0 EGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000265981725 455420127 /nfs/dbraw/zinc/42/01/27/455420127.db2.gz BRJCWCHCILXMLG-GJZGRUSLSA-N 2 2 340.414 3.003 20 0 EGADLP C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000265981725 455420132 /nfs/dbraw/zinc/42/01/32/455420132.db2.gz BRJCWCHCILXMLG-GJZGRUSLSA-N 2 2 340.414 3.003 20 0 EGADLP Fc1cc(Br)cc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000093982172 454182151 /nfs/dbraw/zinc/18/21/51/454182151.db2.gz FHUVGGMWULLCIU-UHFFFAOYSA-N 2 2 326.213 3.355 20 0 EGADLP Clc1ccc(C[NH+]2CCC(NCC[NH+]3CCCCC3)CC2)cc1 ZINC000119942223 454238824 /nfs/dbraw/zinc/23/88/24/454238824.db2.gz CUTWWKDJVYQLKH-UHFFFAOYSA-N 2 2 335.923 3.380 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131243624 454241554 /nfs/dbraw/zinc/24/15/54/454241554.db2.gz QAISICSXEXXFCR-ZWKOTPCHSA-N 2 2 349.906 3.205 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131243624 454241562 /nfs/dbraw/zinc/24/15/62/454241562.db2.gz QAISICSXEXXFCR-ZWKOTPCHSA-N 2 2 349.906 3.205 20 0 EGADLP CCc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078454909 454255287 /nfs/dbraw/zinc/25/52/87/454255287.db2.gz XLAHSAJQXGYDAZ-SFHVURJKSA-N 2 2 339.487 3.412 20 0 EGADLP CCc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(-c2ccncc2)[nH+]1 ZINC000078454909 454255289 /nfs/dbraw/zinc/25/52/89/454255289.db2.gz XLAHSAJQXGYDAZ-SFHVURJKSA-N 2 2 339.487 3.412 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)ccc1SC ZINC000090047979 454266941 /nfs/dbraw/zinc/26/69/41/454266941.db2.gz AOGMKJMKTGXALZ-GJZGRUSLSA-N 2 2 338.517 3.179 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090457220 454308324 /nfs/dbraw/zinc/30/83/24/454308324.db2.gz CWHSHWWLNKMSNS-ICSRJNTNSA-N 2 2 345.531 3.479 20 0 EGADLP CCOCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCC1 ZINC000090457220 454308326 /nfs/dbraw/zinc/30/83/26/454308326.db2.gz CWHSHWWLNKMSNS-ICSRJNTNSA-N 2 2 345.531 3.479 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(F)cn1 ZINC000090667723 454334546 /nfs/dbraw/zinc/33/45/46/454334546.db2.gz MAJPUGARLDYJRQ-HUUCEWRRSA-N 2 2 328.435 3.492 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCc4ccsc4C3)c2cc1C ZINC000132931737 454378140 /nfs/dbraw/zinc/37/81/40/454378140.db2.gz IXQSKTWBZGVCAP-MRXNPFEDSA-N 2 2 341.480 3.134 20 0 EGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000132997405 454384036 /nfs/dbraw/zinc/38/40/36/454384036.db2.gz IXYSSSWHBZERAG-DLBZAZTESA-N 2 2 343.515 3.205 20 0 EGADLP C[NH+](C)CCC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000133583692 454442435 /nfs/dbraw/zinc/44/24/35/454442435.db2.gz PMEQOVRIHAEHTI-UHFFFAOYSA-N 2 2 333.476 3.026 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000121800047 454478727 /nfs/dbraw/zinc/47/87/27/454478727.db2.gz GVTZZMXZELWIKQ-UHFFFAOYSA-N 2 2 348.397 3.264 20 0 EGADLP Clc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000073803880 454485447 /nfs/dbraw/zinc/48/54/47/454485447.db2.gz TXRJWNRNHFVRLA-UHFFFAOYSA-N 2 2 333.863 3.235 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000634980810 460639104 /nfs/dbraw/zinc/63/91/04/460639104.db2.gz OBIUBDQTFRACED-LPHOPBHVSA-N 2 2 332.451 3.382 20 0 EGADLP C[C@H]1[C@@H]([NH2+]Cc2ccc3nccnc3c2)CC[N@H+]1Cc1ccccc1 ZINC000634980810 460639111 /nfs/dbraw/zinc/63/91/11/460639111.db2.gz OBIUBDQTFRACED-LPHOPBHVSA-N 2 2 332.451 3.382 20 0 EGADLP FC(F)CN1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000134085249 454501676 /nfs/dbraw/zinc/50/16/76/454501676.db2.gz LRHAXWDUXJFJLG-SFHVURJKSA-N 2 2 337.458 3.143 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066478 454511936 /nfs/dbraw/zinc/51/19/36/454511936.db2.gz AHHXVSYNJLDYIT-QUCCMNQESA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066478 454511941 /nfs/dbraw/zinc/51/19/41/454511941.db2.gz AHHXVSYNJLDYIT-QUCCMNQESA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066478 454511946 /nfs/dbraw/zinc/51/19/46/454511946.db2.gz AHHXVSYNJLDYIT-QUCCMNQESA-N 2 2 340.515 3.131 20 0 EGADLP c1cc(N2CCCC2)ncc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066478 454511950 /nfs/dbraw/zinc/51/19/50/454511950.db2.gz AHHXVSYNJLDYIT-QUCCMNQESA-N 2 2 340.515 3.131 20 0 EGADLP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066086 454512973 /nfs/dbraw/zinc/51/29/73/454512973.db2.gz SVJKYHUASWYCCH-QAPCUYQASA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000092066086 454512978 /nfs/dbraw/zinc/51/29/78/454512978.db2.gz SVJKYHUASWYCCH-QAPCUYQASA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000092066086 454512981 /nfs/dbraw/zinc/51/29/81/454512981.db2.gz SVJKYHUASWYCCH-QAPCUYQASA-N 2 2 348.560 3.438 20 0 EGADLP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000092066086 454512987 /nfs/dbraw/zinc/51/29/87/454512987.db2.gz SVJKYHUASWYCCH-QAPCUYQASA-N 2 2 348.560 3.438 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066194 454513547 /nfs/dbraw/zinc/51/35/47/454513547.db2.gz USWHTCYDTKUDKI-DYVFJYSZSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066194 454513551 /nfs/dbraw/zinc/51/35/51/454513551.db2.gz USWHTCYDTKUDKI-DYVFJYSZSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066194 454513556 /nfs/dbraw/zinc/51/35/56/454513556.db2.gz USWHTCYDTKUDKI-DYVFJYSZSA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066194 454513562 /nfs/dbraw/zinc/51/35/62/454513562.db2.gz USWHTCYDTKUDKI-DYVFJYSZSA-N 2 2 336.911 3.085 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC(F)F ZINC000092072687 454515267 /nfs/dbraw/zinc/51/52/67/454515267.db2.gz ZWHKECNSCIKZIO-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OC(F)F ZINC000092072687 454515270 /nfs/dbraw/zinc/51/52/70/454515270.db2.gz ZWHKECNSCIKZIO-ZDUSSCGKSA-N 2 2 337.370 3.399 20 0 EGADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000102685630 454516664 /nfs/dbraw/zinc/51/66/64/454516664.db2.gz ANONYTQSTLNHCW-UHFFFAOYSA-N 2 2 334.467 3.003 20 0 EGADLP CC(C)[NH+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000074333157 454566921 /nfs/dbraw/zinc/56/69/21/454566921.db2.gz PNIYKIGTXWRWGQ-UHFFFAOYSA-N 2 2 328.460 3.111 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000092565285 454587080 /nfs/dbraw/zinc/58/70/80/454587080.db2.gz VBOMEBYBSUKPFB-OFLPRAFFSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000092565285 454587086 /nfs/dbraw/zinc/58/70/86/454587086.db2.gz VBOMEBYBSUKPFB-OFLPRAFFSA-N 2 2 336.520 3.493 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000134867647 454600697 /nfs/dbraw/zinc/60/06/97/454600697.db2.gz YJZRBTGAVATDFE-YLJYHZDGSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCC1 ZINC000134867647 454600700 /nfs/dbraw/zinc/60/07/00/454600700.db2.gz YJZRBTGAVATDFE-YLJYHZDGSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCC1 ZINC000134867647 454600706 /nfs/dbraw/zinc/60/07/06/454600706.db2.gz YJZRBTGAVATDFE-YLJYHZDGSA-N 2 2 347.547 3.115 20 0 EGADLP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCC1 ZINC000134867647 454600710 /nfs/dbraw/zinc/60/07/10/454600710.db2.gz YJZRBTGAVATDFE-YLJYHZDGSA-N 2 2 347.547 3.115 20 0 EGADLP OCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000635001472 460646320 /nfs/dbraw/zinc/64/63/20/460646320.db2.gz UAWOKTWDYUXUIX-UHFFFAOYSA-N 2 2 334.460 3.101 20 0 EGADLP C[N@H+](Cc1cccc(F)c1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968939 454662065 /nfs/dbraw/zinc/66/20/65/454662065.db2.gz OGIITMFNXFVVDN-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP C[N@@H+](Cc1cccc(F)c1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968939 454662070 /nfs/dbraw/zinc/66/20/70/454662070.db2.gz OGIITMFNXFVVDN-UHFFFAOYSA-N 2 2 345.437 3.499 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000123765833 454672420 /nfs/dbraw/zinc/67/24/20/454672420.db2.gz JGJSVTBVJGFICW-MRXNPFEDSA-N 2 2 331.435 3.283 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000123765833 454672426 /nfs/dbraw/zinc/67/24/26/454672426.db2.gz JGJSVTBVJGFICW-MRXNPFEDSA-N 2 2 331.435 3.283 20 0 EGADLP CC[N@H+](CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)C1CC1 ZINC000135986051 454713001 /nfs/dbraw/zinc/71/30/01/454713001.db2.gz RGMWFSRZWWHCCR-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CC[N@@H+](CC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)C1CC1 ZINC000135986051 454713005 /nfs/dbraw/zinc/71/30/05/454713005.db2.gz RGMWFSRZWWHCCR-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+](C)CCCn3cc[nH+]c3C)n2)cc1 ZINC000136299931 454734511 /nfs/dbraw/zinc/73/45/11/454734511.db2.gz SURZCJXORLNXML-UHFFFAOYSA-N 2 2 339.443 3.326 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+](C)CCCn3cc[nH+]c3C)n2)cc1 ZINC000136299931 454734515 /nfs/dbraw/zinc/73/45/15/454734515.db2.gz SURZCJXORLNXML-UHFFFAOYSA-N 2 2 339.443 3.326 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000124473151 454737454 /nfs/dbraw/zinc/73/74/54/454737454.db2.gz WXBFDUZFVUTNKU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000124473151 454737459 /nfs/dbraw/zinc/73/74/59/454737459.db2.gz WXBFDUZFVUTNKU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000124473151 454737464 /nfs/dbraw/zinc/73/74/64/454737464.db2.gz WXBFDUZFVUTNKU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000124473151 454737467 /nfs/dbraw/zinc/73/74/67/454737467.db2.gz WXBFDUZFVUTNKU-INIZCTEOSA-N 2 2 336.476 3.019 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(Cl)cc1Br ZINC000124577571 454749653 /nfs/dbraw/zinc/74/96/53/454749653.db2.gz BQKOJQHAOPNKRZ-CMPLNLGQSA-N 2 2 347.684 3.293 20 0 EGADLP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865869 454740994 /nfs/dbraw/zinc/74/09/94/454740994.db2.gz SAOATSLCHSPVSV-GOSISDBHSA-N 2 2 335.407 3.292 20 0 EGADLP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865869 454740999 /nfs/dbraw/zinc/74/09/99/454740999.db2.gz SAOATSLCHSPVSV-GOSISDBHSA-N 2 2 335.407 3.292 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865967 454741620 /nfs/dbraw/zinc/74/16/20/454741620.db2.gz ZRNIBLTUGNEBEM-LJQANCHMSA-N 2 2 334.423 3.433 20 0 EGADLP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865967 454741623 /nfs/dbraw/zinc/74/16/23/454741623.db2.gz ZRNIBLTUGNEBEM-LJQANCHMSA-N 2 2 334.423 3.433 20 0 EGADLP CN(C(=O)[C@H]1CC=CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124556256 454747830 /nfs/dbraw/zinc/74/78/30/454747830.db2.gz LFKHYEBFKCJOBC-SXLOBPIMSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)[C@H]1CC=CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124556256 454747835 /nfs/dbraw/zinc/74/78/35/454747835.db2.gz LFKHYEBFKCJOBC-SXLOBPIMSA-N 2 2 347.547 3.138 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000107290179 454749559 /nfs/dbraw/zinc/74/95/59/454749559.db2.gz QNISCVWWTWKLSW-MRXNPFEDSA-N 2 2 327.403 3.380 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000107290179 454749563 /nfs/dbraw/zinc/74/95/63/454749563.db2.gz QNISCVWWTWKLSW-MRXNPFEDSA-N 2 2 327.403 3.380 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(Cl)cc1Br ZINC000124577571 454749650 /nfs/dbraw/zinc/74/96/50/454749650.db2.gz BQKOJQHAOPNKRZ-CMPLNLGQSA-N 2 2 347.684 3.293 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000107293123 454750627 /nfs/dbraw/zinc/75/06/27/454750627.db2.gz JECBZXCCTJOZKY-HOTGVXAUSA-N 2 2 339.439 3.252 20 0 EGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000124709643 454762416 /nfs/dbraw/zinc/76/24/16/454762416.db2.gz UQLPWKBHYLDZDT-HNNXBMFYSA-N 2 2 339.886 3.081 20 0 EGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000124709643 454762417 /nfs/dbraw/zinc/76/24/17/454762417.db2.gz UQLPWKBHYLDZDT-HNNXBMFYSA-N 2 2 339.886 3.081 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000124851996 454776040 /nfs/dbraw/zinc/77/60/40/454776040.db2.gz ZBNUDKIXKQYCGU-GOSISDBHSA-N 2 2 339.483 3.087 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000124851996 454776041 /nfs/dbraw/zinc/77/60/41/454776041.db2.gz ZBNUDKIXKQYCGU-GOSISDBHSA-N 2 2 339.483 3.087 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000124852258 454776280 /nfs/dbraw/zinc/77/62/80/454776280.db2.gz ZBNUDKIXKQYCGU-SFHVURJKSA-N 2 2 339.483 3.087 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000124852258 454776282 /nfs/dbraw/zinc/77/62/82/454776282.db2.gz ZBNUDKIXKQYCGU-SFHVURJKSA-N 2 2 339.483 3.087 20 0 EGADLP Cn1ccnc1[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(F)c1 ZINC000635011814 460655150 /nfs/dbraw/zinc/65/51/50/460655150.db2.gz PHCNHFGXDHFIDM-DLBZAZTESA-N 2 2 330.451 3.016 20 0 EGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000108931244 454817861 /nfs/dbraw/zinc/81/78/61/454817861.db2.gz GRDVYXIGVYYOFP-IAGOWNOFSA-N 2 2 347.507 3.301 20 0 EGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000108931244 454817868 /nfs/dbraw/zinc/81/78/68/454817868.db2.gz GRDVYXIGVYYOFP-IAGOWNOFSA-N 2 2 347.507 3.301 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177308161 454848998 /nfs/dbraw/zinc/84/89/98/454848998.db2.gz RRGHQUQGTDINGS-UHFFFAOYSA-N 2 2 336.439 3.353 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)cn2)c[nH+]1 ZINC000177313856 454850217 /nfs/dbraw/zinc/85/02/17/454850217.db2.gz YRQUKYHOXDYWRT-FQEVSTJZSA-N 2 2 348.450 3.306 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)cn2)c[nH+]1 ZINC000177313856 454850219 /nfs/dbraw/zinc/85/02/19/454850219.db2.gz YRQUKYHOXDYWRT-FQEVSTJZSA-N 2 2 348.450 3.306 20 0 EGADLP CCOc1ccccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153990097 454854639 /nfs/dbraw/zinc/85/46/39/454854639.db2.gz GVUFJVJFBGRMGQ-KDURUIRLSA-N 2 2 345.531 3.076 20 0 EGADLP CCOc1ccccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153990097 454854640 /nfs/dbraw/zinc/85/46/40/454854640.db2.gz GVUFJVJFBGRMGQ-KDURUIRLSA-N 2 2 345.531 3.076 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154085340 454863527 /nfs/dbraw/zinc/86/35/27/454863527.db2.gz XYRWDMAPJFGTSS-YFVAEKQCSA-N 2 2 342.483 3.073 20 0 EGADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000154085340 454863529 /nfs/dbraw/zinc/86/35/29/454863529.db2.gz XYRWDMAPJFGTSS-YFVAEKQCSA-N 2 2 342.483 3.073 20 0 EGADLP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000166902228 454916664 /nfs/dbraw/zinc/91/66/64/454916664.db2.gz CPPNMNBPTXQOEH-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)cs2)cc1 ZINC000113512288 454928543 /nfs/dbraw/zinc/92/85/43/454928543.db2.gz UQATUKBECQGLQV-AWEZNQCLSA-N 2 2 331.485 3.202 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)cs2)cc1 ZINC000113512288 454928547 /nfs/dbraw/zinc/92/85/47/454928547.db2.gz UQATUKBECQGLQV-AWEZNQCLSA-N 2 2 331.485 3.202 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000113516044 454928613 /nfs/dbraw/zinc/92/86/13/454928613.db2.gz WIJORVGOKPOZPX-GOSISDBHSA-N 2 2 349.563 3.364 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000113516044 454928614 /nfs/dbraw/zinc/92/86/14/454928614.db2.gz WIJORVGOKPOZPX-GOSISDBHSA-N 2 2 349.563 3.364 20 0 EGADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000178057338 454931417 /nfs/dbraw/zinc/93/14/17/454931417.db2.gz UZHVDTFXKXBSKG-IBGZPJMESA-N 2 2 348.450 3.005 20 0 EGADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178057338 454931421 /nfs/dbraw/zinc/93/14/21/454931421.db2.gz UZHVDTFXKXBSKG-IBGZPJMESA-N 2 2 348.450 3.005 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000154851398 454936451 /nfs/dbraw/zinc/93/64/51/454936451.db2.gz SRKGIBHWXVHECB-KRWDZBQOSA-N 2 2 336.451 3.128 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198716 454946759 /nfs/dbraw/zinc/94/67/59/454946759.db2.gz FBNAJACKTJTUEN-UONOGXRCSA-N 2 2 332.423 3.129 20 0 EGADLP Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)n2)cc1F ZINC000114198716 454946762 /nfs/dbraw/zinc/94/67/62/454946762.db2.gz FBNAJACKTJTUEN-UONOGXRCSA-N 2 2 332.423 3.129 20 0 EGADLP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000114319477 454950331 /nfs/dbraw/zinc/95/03/31/454950331.db2.gz ARAIHAINUZGXLX-CYBMUJFWSA-N 2 2 345.830 3.209 20 0 EGADLP C[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000114319477 454950333 /nfs/dbraw/zinc/95/03/33/454950333.db2.gz ARAIHAINUZGXLX-CYBMUJFWSA-N 2 2 345.830 3.209 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C1 ZINC000151322119 454968675 /nfs/dbraw/zinc/96/86/75/454968675.db2.gz YQBQZTMZQZJZJK-NEWSRXKRSA-N 2 2 327.472 3.307 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C1 ZINC000151322119 454968679 /nfs/dbraw/zinc/96/86/79/454968679.db2.gz YQBQZTMZQZJZJK-NEWSRXKRSA-N 2 2 327.472 3.307 20 0 EGADLP Cc1cc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc(C)c1O ZINC000191575181 455499284 /nfs/dbraw/zinc/49/92/84/455499284.db2.gz YTJDFSKKXRZHPV-UHFFFAOYSA-N 2 2 339.483 3.201 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000151626985 455009478 /nfs/dbraw/zinc/00/94/78/455009478.db2.gz DDFNPCZRHZPUJR-INIZCTEOSA-N 2 2 334.435 3.063 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000151626985 455009484 /nfs/dbraw/zinc/00/94/84/455009484.db2.gz DDFNPCZRHZPUJR-INIZCTEOSA-N 2 2 334.435 3.063 20 0 EGADLP C[N@H+](CCCNc1cc(N2CCCC2)nc[nH+]1)Cc1ccccc1 ZINC000171675392 455084976 /nfs/dbraw/zinc/08/49/76/455084976.db2.gz UGFSRVXUIHDQLO-UHFFFAOYSA-N 2 2 325.460 3.011 20 0 EGADLP C[N@@H+](CCCNc1cc(N2CCCC2)nc[nH+]1)Cc1ccccc1 ZINC000171675392 455084982 /nfs/dbraw/zinc/08/49/82/455084982.db2.gz UGFSRVXUIHDQLO-UHFFFAOYSA-N 2 2 325.460 3.011 20 0 EGADLP C[N@H+](CCCNc1cc(N2CCCC2)[nH+]cn1)Cc1ccccc1 ZINC000171675392 455084989 /nfs/dbraw/zinc/08/49/89/455084989.db2.gz UGFSRVXUIHDQLO-UHFFFAOYSA-N 2 2 325.460 3.011 20 0 EGADLP C[N@@H+](CCCNc1cc(N2CCCC2)[nH+]cn1)Cc1ccccc1 ZINC000171675392 455084992 /nfs/dbraw/zinc/08/49/92/455084992.db2.gz UGFSRVXUIHDQLO-UHFFFAOYSA-N 2 2 325.460 3.011 20 0 EGADLP Brc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156405046 455113948 /nfs/dbraw/zinc/11/39/48/455113948.db2.gz OPTSUKFIPJJLMW-HNNXBMFYSA-N 2 2 333.229 3.497 20 0 EGADLP Brc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156405046 455113953 /nfs/dbraw/zinc/11/39/53/455113953.db2.gz OPTSUKFIPJJLMW-HNNXBMFYSA-N 2 2 333.229 3.497 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156451061 455119662 /nfs/dbraw/zinc/11/96/62/455119662.db2.gz WWELZWGRSFOXON-DCGLDWPTSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156451061 455119667 /nfs/dbraw/zinc/11/96/67/455119667.db2.gz WWELZWGRSFOXON-DCGLDWPTSA-N 2 2 348.397 3.071 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000156545563 455130686 /nfs/dbraw/zinc/13/06/86/455130686.db2.gz XOJOGNPVSKYQIA-INIZCTEOSA-N 2 2 349.906 3.019 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000156545563 455130689 /nfs/dbraw/zinc/13/06/89/455130689.db2.gz XOJOGNPVSKYQIA-INIZCTEOSA-N 2 2 349.906 3.019 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccco1 ZINC000156622517 455138962 /nfs/dbraw/zinc/13/89/62/455138962.db2.gz LUCPDFKXYGWWFZ-LJQANCHMSA-N 2 2 346.446 3.403 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000156641954 455140416 /nfs/dbraw/zinc/14/04/16/455140416.db2.gz KQUYIZLSZZLQLZ-LMPOIIKSSA-N 2 2 337.508 3.037 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000156641954 455140420 /nfs/dbraw/zinc/14/04/20/455140420.db2.gz KQUYIZLSZZLQLZ-LMPOIIKSSA-N 2 2 337.508 3.037 20 0 EGADLP COc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000172538572 455160701 /nfs/dbraw/zinc/16/07/01/455160701.db2.gz BLKWQPYWULMXJR-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP COc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000172538572 455160702 /nfs/dbraw/zinc/16/07/02/455160702.db2.gz BLKWQPYWULMXJR-UHFFFAOYSA-N 2 2 325.456 3.187 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000157207694 455172937 /nfs/dbraw/zinc/17/29/37/455172937.db2.gz MRTLNRFKDAYUCL-LJQANCHMSA-N 2 2 329.488 3.192 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000157207694 455172941 /nfs/dbraw/zinc/17/29/41/455172941.db2.gz MRTLNRFKDAYUCL-LJQANCHMSA-N 2 2 329.488 3.192 20 0 EGADLP C[C@H](CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC[NH2+]CC1 ZINC000237368035 455177807 /nfs/dbraw/zinc/17/78/07/455177807.db2.gz ILIHHKUMZKLTAY-CVEARBPZSA-N 2 2 340.471 3.075 20 0 EGADLP CC[NH+](CC)CCSCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000172767636 455185062 /nfs/dbraw/zinc/18/50/62/455185062.db2.gz WJNZNVJWHBBIOK-UHFFFAOYSA-N 2 2 332.473 3.090 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000157328431 455185503 /nfs/dbraw/zinc/18/55/03/455185503.db2.gz RJJRQMKKLLXOKP-UZLBHIALSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000157328431 455185504 /nfs/dbraw/zinc/18/55/04/455185504.db2.gz RJJRQMKKLLXOKP-UZLBHIALSA-N 2 2 327.447 3.263 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000237522285 455191171 /nfs/dbraw/zinc/19/11/71/455191171.db2.gz XXIMBDDKNWTHSF-CHWSQXEVSA-N 2 2 343.393 3.106 20 0 EGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000237522285 455191176 /nfs/dbraw/zinc/19/11/76/455191176.db2.gz XXIMBDDKNWTHSF-CHWSQXEVSA-N 2 2 343.393 3.106 20 0 EGADLP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237689667 455208313 /nfs/dbraw/zinc/20/83/13/455208313.db2.gz VFUWAROCUTVSFM-CYBMUJFWSA-N 2 2 331.803 3.009 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245495728 455314076 /nfs/dbraw/zinc/31/40/76/455314076.db2.gz QAVPNOFQCBVFFE-OLZOCXBDSA-N 2 2 334.851 3.335 20 0 EGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000245495728 455314079 /nfs/dbraw/zinc/31/40/79/455314079.db2.gz QAVPNOFQCBVFFE-OLZOCXBDSA-N 2 2 334.851 3.335 20 0 EGADLP Cc1ccc2c(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000173637581 455319807 /nfs/dbraw/zinc/31/98/07/455319807.db2.gz HNOCUZREDKGZQX-QGZVFWFLSA-N 2 2 328.456 3.408 20 0 EGADLP Cc1ccc2c(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cc(=O)oc2c1 ZINC000173637581 455319813 /nfs/dbraw/zinc/31/98/13/455319813.db2.gz HNOCUZREDKGZQX-QGZVFWFLSA-N 2 2 328.456 3.408 20 0 EGADLP Cc1ccc2c(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cc(=O)oc2c1 ZINC000173637581 455319818 /nfs/dbraw/zinc/31/98/18/455319818.db2.gz HNOCUZREDKGZQX-QGZVFWFLSA-N 2 2 328.456 3.408 20 0 EGADLP Cc1ccc2c(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cc(=O)oc2c1 ZINC000173637581 455319824 /nfs/dbraw/zinc/31/98/24/455319824.db2.gz HNOCUZREDKGZQX-QGZVFWFLSA-N 2 2 328.456 3.408 20 0 EGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265471267 455330980 /nfs/dbraw/zinc/33/09/80/455330980.db2.gz HZKPOVHFDPKGAJ-LBPRGKRZSA-N 2 2 332.835 3.270 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605180 455339886 /nfs/dbraw/zinc/33/98/86/455339886.db2.gz NBZREZWKNWYAKM-FGTMMUONSA-N 2 2 334.508 3.097 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245605180 455339889 /nfs/dbraw/zinc/33/98/89/455339889.db2.gz NBZREZWKNWYAKM-FGTMMUONSA-N 2 2 334.508 3.097 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000245645197 455346798 /nfs/dbraw/zinc/34/67/98/455346798.db2.gz FPOCUZMLJOEQLG-HOCLYGCPSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccs2)n1 ZINC000245645197 455346802 /nfs/dbraw/zinc/34/68/02/455346802.db2.gz FPOCUZMLJOEQLG-HOCLYGCPSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cccs2)n1 ZINC000245645197 455346807 /nfs/dbraw/zinc/34/68/07/455346807.db2.gz FPOCUZMLJOEQLG-HOCLYGCPSA-N 2 2 330.501 3.065 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2cccs2)n1 ZINC000245645197 455346812 /nfs/dbraw/zinc/34/68/12/455346812.db2.gz FPOCUZMLJOEQLG-HOCLYGCPSA-N 2 2 330.501 3.065 20 0 EGADLP CN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245700464 455359240 /nfs/dbraw/zinc/35/92/40/455359240.db2.gz LFKHYEBFKCJOBC-DFQSSKMNSA-N 2 2 347.547 3.138 20 0 EGADLP CN(C(=O)[C@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245700464 455359243 /nfs/dbraw/zinc/35/92/43/455359243.db2.gz LFKHYEBFKCJOBC-DFQSSKMNSA-N 2 2 347.547 3.138 20 0 EGADLP Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000245752475 455373080 /nfs/dbraw/zinc/37/30/80/455373080.db2.gz ZBAPVEDBWDKRFN-WBVHZDCISA-N 2 2 337.427 3.325 20 0 EGADLP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)no1 ZINC000245752475 455373084 /nfs/dbraw/zinc/37/30/84/455373084.db2.gz ZBAPVEDBWDKRFN-WBVHZDCISA-N 2 2 337.427 3.325 20 0 EGADLP CC[N@H+](CCOCC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392039 455385999 /nfs/dbraw/zinc/38/59/99/455385999.db2.gz SNBRKTGHGWPKHX-UHFFFAOYSA-N 2 2 345.409 3.199 20 0 EGADLP CC[N@@H+](CCOCC(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392039 455386004 /nfs/dbraw/zinc/38/60/04/455386004.db2.gz SNBRKTGHGWPKHX-UHFFFAOYSA-N 2 2 345.409 3.199 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964480 455405584 /nfs/dbraw/zinc/40/55/84/455405584.db2.gz MSNXUDDVKJVJNC-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964480 455405588 /nfs/dbraw/zinc/40/55/88/455405588.db2.gz MSNXUDDVKJVJNC-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964480 455405591 /nfs/dbraw/zinc/40/55/91/455405591.db2.gz MSNXUDDVKJVJNC-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000181964480 455405596 /nfs/dbraw/zinc/40/55/96/455405596.db2.gz MSNXUDDVKJVJNC-CQSZACIVSA-N 2 2 338.879 3.290 20 0 EGADLP Cn1c(CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH+]c2ccccc21 ZINC000181978526 455408221 /nfs/dbraw/zinc/40/82/21/455408221.db2.gz OARWPQAIXJDTNI-JVPBZIDWSA-N 2 2 325.456 3.053 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246270084 455461160 /nfs/dbraw/zinc/46/11/60/455461160.db2.gz ATYORBOREPPYPM-CEXWTWQISA-N 2 2 349.563 3.410 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246270084 455461166 /nfs/dbraw/zinc/46/11/66/455461166.db2.gz ATYORBOREPPYPM-CEXWTWQISA-N 2 2 349.563 3.410 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246270084 455461171 /nfs/dbraw/zinc/46/11/71/455461171.db2.gz ATYORBOREPPYPM-CEXWTWQISA-N 2 2 349.563 3.410 20 0 EGADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246270084 455461174 /nfs/dbraw/zinc/46/11/74/455461174.db2.gz ATYORBOREPPYPM-CEXWTWQISA-N 2 2 349.563 3.410 20 0 EGADLP COC[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000182235098 455468152 /nfs/dbraw/zinc/46/81/52/455468152.db2.gz NBSYTJCUUZSSAB-SFHVURJKSA-N 2 2 326.431 3.364 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246401448 455483746 /nfs/dbraw/zinc/48/37/46/455483746.db2.gz LSRGQTYDQDBEIG-UTKZUKDTSA-N 2 2 339.483 3.399 20 0 EGADLP COc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246401448 455483752 /nfs/dbraw/zinc/48/37/52/455483752.db2.gz LSRGQTYDQDBEIG-UTKZUKDTSA-N 2 2 339.483 3.399 20 0 EGADLP CC[C@@H](NC[C@@H](Cc1ccccc1)[NH+](CC)CC)c1[nH+]ccn1C ZINC000182358872 455496564 /nfs/dbraw/zinc/49/65/64/455496564.db2.gz KKKCJTNTHDPXNV-RTBURBONSA-N 2 2 328.504 3.414 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@]2([NH+](C)C)CCSC2)c1C ZINC000267088756 455499474 /nfs/dbraw/zinc/49/94/74/455499474.db2.gz LZZCCKBAHBQEQA-GOSISDBHSA-N 2 2 343.500 3.005 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000246862852 455531459 /nfs/dbraw/zinc/53/14/59/455531459.db2.gz JAGFZTFGSGIZIY-IYWMVGAKSA-N 2 2 328.500 3.444 20 0 EGADLP CC1(C)[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000246862852 455531462 /nfs/dbraw/zinc/53/14/62/455531462.db2.gz JAGFZTFGSGIZIY-IYWMVGAKSA-N 2 2 328.500 3.444 20 0 EGADLP Cc1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)n2)cc1 ZINC000191977959 455537265 /nfs/dbraw/zinc/53/72/65/455537265.db2.gz FGVHZRBKWKTYTC-UHFFFAOYSA-N 2 2 349.438 3.071 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000247124283 455562760 /nfs/dbraw/zinc/56/27/60/455562760.db2.gz DTHSVPKVSAVVJW-BTHPGYMESA-N 2 2 346.540 3.151 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000247124283 455562762 /nfs/dbraw/zinc/56/27/62/455562762.db2.gz DTHSVPKVSAVVJW-BTHPGYMESA-N 2 2 346.540 3.151 20 0 EGADLP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000182731388 455578171 /nfs/dbraw/zinc/57/81/71/455578171.db2.gz SHSDDRQGEWUVCR-IBGZPJMESA-N 2 2 347.503 3.130 20 0 EGADLP COc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192358095 455597455 /nfs/dbraw/zinc/59/74/55/455597455.db2.gz WKWYZWFLHFMDRF-FQEVSTJZSA-N 2 2 340.467 3.076 20 0 EGADLP COc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192358095 455597459 /nfs/dbraw/zinc/59/74/59/455597459.db2.gz WKWYZWFLHFMDRF-FQEVSTJZSA-N 2 2 340.467 3.076 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717086 455604936 /nfs/dbraw/zinc/60/49/36/455604936.db2.gz QLNYBZAMYVUALA-GDBMZVCRSA-N 2 2 343.519 3.233 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717086 455604940 /nfs/dbraw/zinc/60/49/40/455604940.db2.gz QLNYBZAMYVUALA-GDBMZVCRSA-N 2 2 343.519 3.233 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000247465047 455605429 /nfs/dbraw/zinc/60/54/29/455605429.db2.gz RFCJSBYXMKRQMM-IAGOWNOFSA-N 2 2 338.879 3.082 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000247465047 455605435 /nfs/dbraw/zinc/60/54/35/455605435.db2.gz RFCJSBYXMKRQMM-IAGOWNOFSA-N 2 2 338.879 3.082 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000247547469 455621950 /nfs/dbraw/zinc/62/19/50/455621950.db2.gz PPDHAFKQSXFJSV-QRVBRYPASA-N 2 2 345.531 3.224 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000247547469 455621956 /nfs/dbraw/zinc/62/19/56/455621956.db2.gz PPDHAFKQSXFJSV-QRVBRYPASA-N 2 2 345.531 3.224 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000247578525 455627147 /nfs/dbraw/zinc/62/71/47/455627147.db2.gz SNWVISFHZHFQTF-RTBURBONSA-N 2 2 345.531 3.144 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000247578525 455627151 /nfs/dbraw/zinc/62/71/51/455627151.db2.gz SNWVISFHZHFQTF-RTBURBONSA-N 2 2 345.531 3.144 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000247700546 455640311 /nfs/dbraw/zinc/64/03/11/455640311.db2.gz XSSJLBGWOHWWHI-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000247700546 455640313 /nfs/dbraw/zinc/64/03/13/455640313.db2.gz XSSJLBGWOHWWHI-MSOLQXFVSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000248039660 455673401 /nfs/dbraw/zinc/67/34/01/455673401.db2.gz LWPYVRYFFLFCGS-NRSPTQNISA-N 3 2 329.532 3.456 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCC[NH+]2C)CC[NH+]1Cc1ccccc1 ZINC000248039660 455673407 /nfs/dbraw/zinc/67/34/07/455673407.db2.gz LWPYVRYFFLFCGS-NRSPTQNISA-N 3 2 329.532 3.456 20 0 EGADLP CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409029 455674597 /nfs/dbraw/zinc/67/45/97/455674597.db2.gz AICJXECDRPLUEO-GOSISDBHSA-N 2 2 331.504 3.438 20 0 EGADLP CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409029 455674606 /nfs/dbraw/zinc/67/46/06/455674606.db2.gz AICJXECDRPLUEO-GOSISDBHSA-N 2 2 331.504 3.438 20 0 EGADLP CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409029 455674612 /nfs/dbraw/zinc/67/46/12/455674612.db2.gz AICJXECDRPLUEO-GOSISDBHSA-N 2 2 331.504 3.438 20 0 EGADLP CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409029 455674620 /nfs/dbraw/zinc/67/46/20/455674620.db2.gz AICJXECDRPLUEO-GOSISDBHSA-N 2 2 331.504 3.438 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)cc1Br)C2 ZINC000192719903 455676981 /nfs/dbraw/zinc/67/69/81/455676981.db2.gz INNUUNZPWKKXPW-AGUYFDCRSA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)cc1Br)C2 ZINC000192719903 455676985 /nfs/dbraw/zinc/67/69/85/455676985.db2.gz INNUUNZPWKKXPW-AGUYFDCRSA-N 2 2 327.241 3.303 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923263 455731683 /nfs/dbraw/zinc/73/16/83/455731683.db2.gz PIBDHVBSJNVWMM-YJBOKZPZSA-N 2 2 329.513 3.312 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(-c2cccs2)cc1 ZINC000268923263 455731687 /nfs/dbraw/zinc/73/16/87/455731687.db2.gz PIBDHVBSJNVWMM-YJBOKZPZSA-N 2 2 329.513 3.312 20 0 EGADLP C[C@H](CCC1CC1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000186278659 455732223 /nfs/dbraw/zinc/73/22/23/455732223.db2.gz LKAVSWDKWNONSC-QGZVFWFLSA-N 2 2 332.488 3.066 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccs2)C[N@@H+]1Cc1ccccc1 ZINC000268963864 455746205 /nfs/dbraw/zinc/74/62/05/455746205.db2.gz GILQQGNACMKOPP-SUMDDJOVSA-N 2 2 330.497 3.208 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cccs2)C[N@H+]1Cc1ccccc1 ZINC000268963864 455746210 /nfs/dbraw/zinc/74/62/10/455746210.db2.gz GILQQGNACMKOPP-SUMDDJOVSA-N 2 2 330.497 3.208 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349256 455749624 /nfs/dbraw/zinc/74/96/24/455749624.db2.gz QACJFTTXLWFZFV-KRWDZBQOSA-N 2 2 332.488 3.495 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186349256 455749628 /nfs/dbraw/zinc/74/96/28/455749628.db2.gz QACJFTTXLWFZFV-KRWDZBQOSA-N 2 2 332.488 3.495 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000268988259 455753763 /nfs/dbraw/zinc/75/37/63/455753763.db2.gz IZTABIDHBOKCFI-UHFFFAOYSA-N 3 2 341.543 3.300 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271788064 455759302 /nfs/dbraw/zinc/75/93/02/455759302.db2.gz WJJOCPVHIWZUEI-CRAIPNDOSA-N 2 2 327.428 3.209 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269033076 455769442 /nfs/dbraw/zinc/76/94/42/455769442.db2.gz SAPYEYFVZNJKKQ-FMKPAKJESA-N 2 2 330.394 3.064 20 0 EGADLP C[C@H](COCC(F)(F)F)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269033076 455769446 /nfs/dbraw/zinc/76/94/46/455769446.db2.gz SAPYEYFVZNJKKQ-FMKPAKJESA-N 2 2 330.394 3.064 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285572523 455872673 /nfs/dbraw/zinc/87/26/73/455872673.db2.gz WGQJSXZYJIBLHS-MRXNPFEDSA-N 2 2 345.393 3.486 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000285572523 455872675 /nfs/dbraw/zinc/87/26/75/455872675.db2.gz WGQJSXZYJIBLHS-MRXNPFEDSA-N 2 2 345.393 3.486 20 0 EGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258170 455894952 /nfs/dbraw/zinc/89/49/52/455894952.db2.gz AJVDFGVRNPYDFS-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258170 455894954 /nfs/dbraw/zinc/89/49/54/455894954.db2.gz AJVDFGVRNPYDFS-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258170 455894957 /nfs/dbraw/zinc/89/49/57/455894957.db2.gz AJVDFGVRNPYDFS-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)[C@@H]2C1 ZINC000272258170 455894959 /nfs/dbraw/zinc/89/49/59/455894959.db2.gz AJVDFGVRNPYDFS-GOEBONIOSA-N 2 2 328.378 3.154 20 0 EGADLP COc1c(O)cccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000272261024 455895538 /nfs/dbraw/zinc/89/55/38/455895538.db2.gz APNTYFLZUFDDJJ-UHFFFAOYSA-N 2 2 325.412 3.010 20 0 EGADLP CC(C)n1nccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000280128699 455898241 /nfs/dbraw/zinc/89/82/41/455898241.db2.gz CZKPPUFHWZIQLM-MRXNPFEDSA-N 2 2 327.476 3.174 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)n1 ZINC000272281056 455900445 /nfs/dbraw/zinc/90/04/45/455900445.db2.gz AAMGEZDRROMSIX-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)n1 ZINC000272281056 455900448 /nfs/dbraw/zinc/90/04/48/455900448.db2.gz AAMGEZDRROMSIX-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(Br)n1 ZINC000272281056 455900451 /nfs/dbraw/zinc/90/04/51/455900451.db2.gz AAMGEZDRROMSIX-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Br)n1 ZINC000272281056 455900457 /nfs/dbraw/zinc/90/04/57/455900457.db2.gz AAMGEZDRROMSIX-CQSZACIVSA-N 2 2 326.282 3.150 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366508 455902084 /nfs/dbraw/zinc/90/20/84/455902084.db2.gz NOMSEPYJGOSYQZ-FQEVSTJZSA-N 2 2 344.478 3.377 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366508 455902087 /nfs/dbraw/zinc/90/20/87/455902087.db2.gz NOMSEPYJGOSYQZ-FQEVSTJZSA-N 2 2 344.478 3.377 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366508 455902089 /nfs/dbraw/zinc/90/20/89/455902089.db2.gz NOMSEPYJGOSYQZ-FQEVSTJZSA-N 2 2 344.478 3.377 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187366508 455902093 /nfs/dbraw/zinc/90/20/93/455902093.db2.gz NOMSEPYJGOSYQZ-FQEVSTJZSA-N 2 2 344.478 3.377 20 0 EGADLP CC[NH+](CC)[C@@H](CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1)CC(C)C ZINC000194977679 455908438 /nfs/dbraw/zinc/90/84/38/455908438.db2.gz FESWEGSNUQHDID-QZTJIDSGSA-N 2 2 329.492 3.240 20 0 EGADLP Cc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000261650287 455921101 /nfs/dbraw/zinc/92/11/01/455921101.db2.gz AYAZCFJLKFCCIY-UHFFFAOYSA-N 2 2 334.467 3.356 20 0 EGADLP Cc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)c(-c2cnn(C)c2)c1 ZINC000261650287 455921108 /nfs/dbraw/zinc/92/11/08/455921108.db2.gz AYAZCFJLKFCCIY-UHFFFAOYSA-N 2 2 334.467 3.356 20 0 EGADLP C[C@@H]1COCC[C@H]1[NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000195098067 455921354 /nfs/dbraw/zinc/92/13/54/455921354.db2.gz VVOHMMBSSXJSSM-RDTXWAMCSA-N 2 2 335.467 3.193 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000280235154 455924257 /nfs/dbraw/zinc/92/42/57/455924257.db2.gz JTKGKXCHMLQJFX-IVSAIRAKSA-N 2 2 332.488 3.411 20 0 EGADLP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000280235154 455924261 /nfs/dbraw/zinc/92/42/61/455924261.db2.gz JTKGKXCHMLQJFX-IVSAIRAKSA-N 2 2 332.488 3.411 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261669524 455924979 /nfs/dbraw/zinc/92/49/79/455924979.db2.gz GGFYWJORARIRBG-GOSISDBHSA-N 2 2 331.485 3.380 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@](C)(C[NH3+])C3)cs2)cc1 ZINC000261669524 455924989 /nfs/dbraw/zinc/92/49/89/455924989.db2.gz GGFYWJORARIRBG-GOSISDBHSA-N 2 2 331.485 3.380 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261789708 455949008 /nfs/dbraw/zinc/94/90/08/455949008.db2.gz UVFXIDQJAZHMRY-VQTJNVASSA-N 2 2 348.450 3.012 20 0 EGADLP COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261789708 455949013 /nfs/dbraw/zinc/94/90/13/455949013.db2.gz UVFXIDQJAZHMRY-VQTJNVASSA-N 2 2 348.450 3.012 20 0 EGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452872 455955421 /nfs/dbraw/zinc/95/54/21/455955421.db2.gz PWSAHYUSUXWQDY-UNMCSNQZSA-N 2 2 337.511 3.228 20 0 EGADLP Cc1ccc(C)c([C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)c2ccccc2)c1 ZINC000272452872 455955422 /nfs/dbraw/zinc/95/54/22/455955422.db2.gz PWSAHYUSUXWQDY-UNMCSNQZSA-N 2 2 337.511 3.228 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ncc(C)s1 ZINC000296520687 455961999 /nfs/dbraw/zinc/96/19/99/455961999.db2.gz RZSYFAXHCUVXSM-UHFFFAOYSA-N 2 2 333.501 3.462 20 0 EGADLP Cc1[nH+]c(-c2ccncc2)nc(NCC2(C)CC[NH+](C)CC2)c1C ZINC000272496772 455970816 /nfs/dbraw/zinc/97/08/16/455970816.db2.gz QQZUALWQJQNCOA-UHFFFAOYSA-N 2 2 325.460 3.299 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000280449935 455974668 /nfs/dbraw/zinc/97/46/68/455974668.db2.gz NPIOHCDVIXKOMA-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1nc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000280449935 455974675 /nfs/dbraw/zinc/97/46/75/455974675.db2.gz NPIOHCDVIXKOMA-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000280449935 455974679 /nfs/dbraw/zinc/97/46/79/455974679.db2.gz NPIOHCDVIXKOMA-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1nc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)sc1C ZINC000280449935 455974683 /nfs/dbraw/zinc/97/46/83/455974683.db2.gz NPIOHCDVIXKOMA-HDICACEKSA-N 2 2 327.497 3.324 20 0 EGADLP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543842 455988229 /nfs/dbraw/zinc/98/82/29/455988229.db2.gz CZJJJQOYDOCQDU-UHOSZYNNSA-N 2 2 328.456 3.467 20 0 EGADLP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000272543842 455988231 /nfs/dbraw/zinc/98/82/31/455988231.db2.gz CZJJJQOYDOCQDU-UHOSZYNNSA-N 2 2 328.456 3.467 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CCc2cc[nH+]cc2C)c(C)c1OC ZINC000286176936 455993975 /nfs/dbraw/zinc/99/39/75/455993975.db2.gz QDUNBYRVBPDUID-HNNXBMFYSA-N 2 2 328.456 3.479 20 0 EGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000623755902 460706206 /nfs/dbraw/zinc/70/62/06/460706206.db2.gz MOSAVROGLRYPBQ-HNNXBMFYSA-N 2 2 348.853 3.309 20 0 EGADLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000272577767 456000747 /nfs/dbraw/zinc/00/07/47/456000747.db2.gz PYGNZVABLMTNNY-GOSISDBHSA-N 2 2 329.444 3.006 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286349711 456030070 /nfs/dbraw/zinc/03/00/70/456030070.db2.gz ZEQFPAQKXGKDAK-SEVFCGSRSA-N 2 2 340.870 3.365 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000286349711 456030075 /nfs/dbraw/zinc/03/00/75/456030075.db2.gz ZEQFPAQKXGKDAK-SEVFCGSRSA-N 2 2 340.870 3.365 20 0 EGADLP CCOC1CC(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000286354441 456031166 /nfs/dbraw/zinc/03/11/66/456031166.db2.gz JFKXFVDGEQLYLA-UHFFFAOYSA-N 2 2 331.504 3.435 20 0 EGADLP CCOC1CC(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000286354441 456031169 /nfs/dbraw/zinc/03/11/69/456031169.db2.gz JFKXFVDGEQLYLA-UHFFFAOYSA-N 2 2 331.504 3.435 20 0 EGADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301545869 456143888 /nfs/dbraw/zinc/14/38/88/456143888.db2.gz UCLFLVMDVRKXJE-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301545869 456143892 /nfs/dbraw/zinc/14/38/92/456143892.db2.gz UCLFLVMDVRKXJE-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301556831 456146545 /nfs/dbraw/zinc/14/65/45/456146545.db2.gz WSYFIAVEFXTBRK-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301556831 456146552 /nfs/dbraw/zinc/14/65/52/456146552.db2.gz WSYFIAVEFXTBRK-CQSZACIVSA-N 2 2 332.879 3.326 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ncccc3N(C)C)CC2)C1 ZINC000289922843 456181501 /nfs/dbraw/zinc/18/15/01/456181501.db2.gz VBBJCPXTCDTDRZ-AEFFLSMTSA-N 2 2 330.520 3.280 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951523 456192221 /nfs/dbraw/zinc/19/22/21/456192221.db2.gz WOARDEPRJSMNJK-IXDOHACOSA-N 2 2 343.471 3.443 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)no1 ZINC000289951523 456192227 /nfs/dbraw/zinc/19/22/27/456192227.db2.gz WOARDEPRJSMNJK-IXDOHACOSA-N 2 2 343.471 3.443 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000263723849 456203677 /nfs/dbraw/zinc/20/36/77/456203677.db2.gz PAPOQMDDGVXQPD-INIZCTEOSA-N 2 2 349.494 3.150 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000263723849 456203684 /nfs/dbraw/zinc/20/36/84/456203684.db2.gz PAPOQMDDGVXQPD-INIZCTEOSA-N 2 2 349.494 3.150 20 0 EGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000273189228 456208366 /nfs/dbraw/zinc/20/83/66/456208366.db2.gz HTFLSJHTDGWMGR-HNNXBMFYSA-N 2 2 344.459 3.067 20 0 EGADLP O=C(Cc1cn2ccccc2[nH+]1)NCCCCCCC[NH+]1CCCC1 ZINC000263779169 456219872 /nfs/dbraw/zinc/21/98/72/456219872.db2.gz VGALLCGDGIXMKT-UHFFFAOYSA-N 2 2 342.487 3.039 20 0 EGADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000290035010 456221894 /nfs/dbraw/zinc/22/18/94/456221894.db2.gz SDDQOAPIPNHIDV-LSDHHAIUSA-N 2 2 326.444 3.089 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000290046440 456226017 /nfs/dbraw/zinc/22/60/17/456226017.db2.gz OKMANWTWUDPMSG-UHFFFAOYSA-N 2 2 333.439 3.097 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000290046440 456226024 /nfs/dbraw/zinc/22/60/24/456226024.db2.gz OKMANWTWUDPMSG-UHFFFAOYSA-N 2 2 333.439 3.097 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(Cl)c1O ZINC000297486230 456233128 /nfs/dbraw/zinc/23/31/28/456233128.db2.gz SSWIMKBJFXSNCB-SFHVURJKSA-N 2 2 338.879 3.362 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(Cl)c1O ZINC000297486230 456233131 /nfs/dbraw/zinc/23/31/31/456233131.db2.gz SSWIMKBJFXSNCB-SFHVURJKSA-N 2 2 338.879 3.362 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723186 456254739 /nfs/dbraw/zinc/25/47/39/456254739.db2.gz UZIXZJDRJXWASY-LIRRHRJNSA-N 2 2 344.434 3.321 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)ccc1F ZINC000333723186 456254747 /nfs/dbraw/zinc/25/47/47/456254747.db2.gz UZIXZJDRJXWASY-LIRRHRJNSA-N 2 2 344.434 3.321 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)c2ccccc21 ZINC000333838504 456267799 /nfs/dbraw/zinc/26/77/99/456267799.db2.gz NUDBMOJGKOXEFG-GUDVDZBRSA-N 2 2 327.472 3.045 20 0 EGADLP CCc1cc(NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302054941 456276950 /nfs/dbraw/zinc/27/69/50/456276950.db2.gz QDBAMQWEYFHRPC-IBGZPJMESA-N 2 2 340.471 3.141 20 0 EGADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275691034 456287209 /nfs/dbraw/zinc/28/72/09/456287209.db2.gz WYHNULLFDJFVOZ-AUUYWEPGSA-N 2 2 325.412 3.485 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000290332128 456295892 /nfs/dbraw/zinc/29/58/92/456295892.db2.gz OXKYSEPNDSQBMT-OAHLLOKOSA-N 2 2 343.437 3.123 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000290332128 456295896 /nfs/dbraw/zinc/29/58/96/456295896.db2.gz OXKYSEPNDSQBMT-OAHLLOKOSA-N 2 2 343.437 3.123 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000297853889 456309968 /nfs/dbraw/zinc/30/99/68/456309968.db2.gz SZYBOANZAQHRMR-LJQANCHMSA-N 2 2 336.439 3.343 20 0 EGADLP c1cn(CCOc2ccccc2NC2CC[NH+](C3CC3)CC2)c[nH+]1 ZINC000297895796 456320015 /nfs/dbraw/zinc/32/00/15/456320015.db2.gz RHCHXNGMVUWASI-UHFFFAOYSA-N 2 2 326.444 3.001 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800814 456320347 /nfs/dbraw/zinc/32/03/47/456320347.db2.gz QAXTXNLRVMYPSW-RDJZCZTQSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800814 456320349 /nfs/dbraw/zinc/32/03/49/456320349.db2.gz QAXTXNLRVMYPSW-RDJZCZTQSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800814 456320352 /nfs/dbraw/zinc/32/03/52/456320352.db2.gz QAXTXNLRVMYPSW-RDJZCZTQSA-N 2 2 341.503 3.353 20 0 EGADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc12 ZINC000352800814 456320356 /nfs/dbraw/zinc/32/03/56/456320356.db2.gz QAXTXNLRVMYPSW-RDJZCZTQSA-N 2 2 341.503 3.353 20 0 EGADLP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000352801220 456320367 /nfs/dbraw/zinc/32/03/67/456320367.db2.gz SADZYZORGGFIDA-GOSISDBHSA-N 2 2 331.504 3.424 20 0 EGADLP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000352801220 456320368 /nfs/dbraw/zinc/32/03/68/456320368.db2.gz SADZYZORGGFIDA-GOSISDBHSA-N 2 2 331.504 3.424 20 0 EGADLP CC[C@@H](Nc1cccc(C)[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302250377 456329965 /nfs/dbraw/zinc/32/99/65/456329965.db2.gz WJFYJHZPOXUKBJ-RTBURBONSA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@@H](Nc1cccc(C)[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302250377 456329972 /nfs/dbraw/zinc/32/99/72/456329972.db2.gz WJFYJHZPOXUKBJ-RTBURBONSA-N 2 2 325.456 3.482 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340244449 456338163 /nfs/dbraw/zinc/33/81/63/456338163.db2.gz AMJWOCWQYIZFDS-PMACEKPBSA-N 3 2 326.488 3.397 20 0 EGADLP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340244449 456338171 /nfs/dbraw/zinc/33/81/71/456338171.db2.gz AMJWOCWQYIZFDS-PMACEKPBSA-N 3 2 326.488 3.397 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824811 456340510 /nfs/dbraw/zinc/34/05/10/456340510.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824811 456340516 /nfs/dbraw/zinc/34/05/16/456340516.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824811 456340521 /nfs/dbraw/zinc/34/05/21/456340521.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352824811 456340524 /nfs/dbraw/zinc/34/05/24/456340524.db2.gz NGOBKBJSLYUARB-VXKWHMMOSA-N 3 2 341.543 3.459 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000352828148 456343054 /nfs/dbraw/zinc/34/30/54/456343054.db2.gz XKMRMQIPABNOJI-QGZVFWFLSA-N 2 2 349.482 3.275 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000352828148 456343062 /nfs/dbraw/zinc/34/30/62/456343062.db2.gz XKMRMQIPABNOJI-QGZVFWFLSA-N 2 2 349.482 3.275 20 0 EGADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1CCOCC1 ZINC000352832187 456346552 /nfs/dbraw/zinc/34/65/52/456346552.db2.gz DSFINWWXYQBZPJ-SQFISAMPSA-N 2 2 340.414 3.003 20 0 EGADLP c1c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839302 456354773 /nfs/dbraw/zinc/35/47/73/456354773.db2.gz PHXKWGJKTZSGTO-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839302 456354780 /nfs/dbraw/zinc/35/47/80/456354780.db2.gz PHXKWGJKTZSGTO-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839302 456354785 /nfs/dbraw/zinc/35/47/85/456354785.db2.gz PHXKWGJKTZSGTO-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP c1c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc2ccccn12 ZINC000352839302 456354791 /nfs/dbraw/zinc/35/47/91/456354791.db2.gz PHXKWGJKTZSGTO-JOCHJYFZSA-N 2 2 346.478 3.432 20 0 EGADLP CC(C)c1cc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000302545745 456357304 /nfs/dbraw/zinc/35/73/04/456357304.db2.gz OWAIBZUNCDGZBU-OAHLLOKOSA-N 2 2 334.508 3.005 20 0 EGADLP CC(C)c1cc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000302545745 456357307 /nfs/dbraw/zinc/35/73/07/456357307.db2.gz OWAIBZUNCDGZBU-OAHLLOKOSA-N 2 2 334.508 3.005 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000302685931 456374846 /nfs/dbraw/zinc/37/48/46/456374846.db2.gz YFJXMACXWVJIQD-DOTOQJQBSA-N 2 2 325.456 3.472 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000302685931 456374850 /nfs/dbraw/zinc/37/48/50/456374850.db2.gz YFJXMACXWVJIQD-DOTOQJQBSA-N 2 2 325.456 3.472 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000340319359 456386812 /nfs/dbraw/zinc/38/68/12/456386812.db2.gz UMCSQLCMIDPFIE-FXUDXRNXSA-N 2 2 330.394 3.113 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000340319359 456386815 /nfs/dbraw/zinc/38/68/15/456386815.db2.gz UMCSQLCMIDPFIE-FXUDXRNXSA-N 2 2 330.394 3.113 20 0 EGADLP COc1ccnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000276126758 456394268 /nfs/dbraw/zinc/39/42/68/456394268.db2.gz AHERGYKWIATDID-IAGOWNOFSA-N 2 2 339.483 3.336 20 0 EGADLP CC[NH+](CC)CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282094379 456410667 /nfs/dbraw/zinc/41/06/67/456410667.db2.gz SCXCARISZQKOLO-UHFFFAOYSA-N 2 2 342.509 3.312 20 0 EGADLP CC[N@H+](C)C[C@H]1CCN(c2cc(COC)[nH+]c3ccc(F)cc32)C1 ZINC000290742683 456419053 /nfs/dbraw/zinc/41/90/53/456419053.db2.gz HNOGYYGTMPITTO-CQSZACIVSA-N 2 2 331.435 3.298 20 0 EGADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(COC)[nH+]c3ccc(F)cc32)C1 ZINC000290742683 456419057 /nfs/dbraw/zinc/41/90/57/456419057.db2.gz HNOGYYGTMPITTO-CQSZACIVSA-N 2 2 331.435 3.298 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302883710 456426181 /nfs/dbraw/zinc/42/61/81/456426181.db2.gz JSIOEXBGFRNMDS-ZDUSSCGKSA-N 2 2 337.899 3.193 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302883710 456426186 /nfs/dbraw/zinc/42/61/86/456426186.db2.gz JSIOEXBGFRNMDS-ZDUSSCGKSA-N 2 2 337.899 3.193 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302883710 456426190 /nfs/dbraw/zinc/42/61/90/456426190.db2.gz JSIOEXBGFRNMDS-ZDUSSCGKSA-N 2 2 337.899 3.193 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302883710 456426197 /nfs/dbraw/zinc/42/61/97/456426197.db2.gz JSIOEXBGFRNMDS-ZDUSSCGKSA-N 2 2 337.899 3.193 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000298341833 456429298 /nfs/dbraw/zinc/42/92/98/456429298.db2.gz JITVTTZSTWOYOP-INIZCTEOSA-N 2 2 343.471 3.343 20 0 EGADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)no1 ZINC000298341833 456429301 /nfs/dbraw/zinc/42/93/01/456429301.db2.gz JITVTTZSTWOYOP-INIZCTEOSA-N 2 2 343.471 3.343 20 0 EGADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000353000233 456438486 /nfs/dbraw/zinc/43/84/86/456438486.db2.gz QTGWJDWYCKGEBN-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1OC ZINC000353000233 456438492 /nfs/dbraw/zinc/43/84/92/456438492.db2.gz QTGWJDWYCKGEBN-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC ZINC000353000233 456438499 /nfs/dbraw/zinc/43/84/99/456438499.db2.gz QTGWJDWYCKGEBN-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CCCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000353000233 456438504 /nfs/dbraw/zinc/43/85/04/456438504.db2.gz QTGWJDWYCKGEBN-ROUUACIJSA-N 2 2 332.488 3.400 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298379343 456441322 /nfs/dbraw/zinc/44/13/22/456441322.db2.gz MKPPQULXWGOOMX-IBGZPJMESA-N 2 2 340.471 3.170 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000298379343 456441333 /nfs/dbraw/zinc/44/13/33/456441333.db2.gz MKPPQULXWGOOMX-IBGZPJMESA-N 2 2 340.471 3.170 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNc1nc(C)[nH+]c2c1CCCC2)c1ccco1 ZINC000343250342 456483439 /nfs/dbraw/zinc/48/34/39/456483439.db2.gz MEQOHLOLDWEYAL-GUYCJALGSA-N 2 2 328.460 3.220 20 0 EGADLP C[NH+](C)CCc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000276371805 456460263 /nfs/dbraw/zinc/46/02/63/456460263.db2.gz XKWVWVWVTCYKHO-UHFFFAOYSA-N 2 2 339.487 3.183 20 0 EGADLP C[NH+](C)CCc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000276371805 456460270 /nfs/dbraw/zinc/46/02/70/456460270.db2.gz XKWVWVWVTCYKHO-UHFFFAOYSA-N 2 2 339.487 3.183 20 0 EGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077859 456460306 /nfs/dbraw/zinc/46/03/06/456460306.db2.gz PLBRXBOJNGWVBM-JLZZUVOBSA-N 2 2 343.298 3.368 20 0 EGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077859 456460312 /nfs/dbraw/zinc/46/03/12/456460312.db2.gz PLBRXBOJNGWVBM-JLZZUVOBSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077859 456460319 /nfs/dbraw/zinc/46/03/19/456460319.db2.gz PLBRXBOJNGWVBM-JLZZUVOBSA-N 2 2 343.298 3.368 20 0 EGADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000348077859 456460324 /nfs/dbraw/zinc/46/03/24/456460324.db2.gz PLBRXBOJNGWVBM-JLZZUVOBSA-N 2 2 343.298 3.368 20 0 EGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(F)cn1 ZINC000348082856 456464180 /nfs/dbraw/zinc/46/41/80/456464180.db2.gz UDSUVYRAUOTHFR-AWEZNQCLSA-N 2 2 340.402 3.325 20 0 EGADLP CCOC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000340464183 456476150 /nfs/dbraw/zinc/47/61/50/456476150.db2.gz JJVOPXHICWPUCE-HKUYNNGSSA-N 2 2 331.504 3.231 20 0 EGADLP CCOC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000340464183 456476154 /nfs/dbraw/zinc/47/61/54/456476154.db2.gz JJVOPXHICWPUCE-HKUYNNGSSA-N 2 2 331.504 3.231 20 0 EGADLP c1cc2cc(CC[NH2+]C3CC[NH+](Cc4ccccn4)CC3)ccc2[nH]1 ZINC000282445719 456515902 /nfs/dbraw/zinc/51/59/02/456515902.db2.gz USVMQZWUEOOMGD-UHFFFAOYSA-N 2 2 334.467 3.360 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077638 456520691 /nfs/dbraw/zinc/52/06/91/456520691.db2.gz GEGASEIJQONLAC-IXDOHACOSA-N 2 2 342.405 3.297 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077638 456520695 /nfs/dbraw/zinc/52/06/95/456520695.db2.gz GEGASEIJQONLAC-IXDOHACOSA-N 2 2 342.405 3.297 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077638 456520701 /nfs/dbraw/zinc/52/07/01/456520701.db2.gz GEGASEIJQONLAC-IXDOHACOSA-N 2 2 342.405 3.297 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077638 456520707 /nfs/dbraw/zinc/52/07/07/456520707.db2.gz GEGASEIJQONLAC-IXDOHACOSA-N 2 2 342.405 3.297 20 0 EGADLP CC(C)[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1[nH]cc[nH+]1 ZINC000276656891 456543779 /nfs/dbraw/zinc/54/37/79/456543779.db2.gz SPSRYEIWUZHRPU-GOSISDBHSA-N 2 2 340.471 3.135 20 0 EGADLP c1ccc([C@H]2OCC[C@H]2C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000343350833 456551322 /nfs/dbraw/zinc/55/13/22/456551322.db2.gz UKOASFNILUVNNS-GHTZIAJQSA-N 2 2 337.467 3.418 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc4cc[nH]c4n3)sc2C1 ZINC000353204863 456558491 /nfs/dbraw/zinc/55/84/91/456558491.db2.gz DNCUWJFSCTUHQJ-UHFFFAOYSA-N 2 2 341.484 3.076 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc4cc[nH]c4n3)sc2C1 ZINC000353204863 456558496 /nfs/dbraw/zinc/55/84/96/456558496.db2.gz DNCUWJFSCTUHQJ-UHFFFAOYSA-N 2 2 341.484 3.076 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(C)nc2C(F)F)cc1F ZINC000291327382 456606347 /nfs/dbraw/zinc/60/63/47/456606347.db2.gz ZMAZBRWXEBYYIO-UHFFFAOYSA-N 2 2 349.360 3.281 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cc(F)ncc2F)CC1 ZINC000291377765 456624568 /nfs/dbraw/zinc/62/45/68/456624568.db2.gz ANPYPISJCUPTJF-CYBMUJFWSA-N 2 2 332.398 3.070 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808490 456632393 /nfs/dbraw/zinc/63/23/93/456632393.db2.gz QQKUHWDVAHHDRR-VBNZEHGJSA-N 2 2 328.378 3.219 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C(F)(F)F)cc1 ZINC000320808490 456632397 /nfs/dbraw/zinc/63/23/97/456632397.db2.gz QQKUHWDVAHHDRR-VBNZEHGJSA-N 2 2 328.378 3.219 20 0 EGADLP C[NH+](C)CC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C ZINC000343458909 456636170 /nfs/dbraw/zinc/63/61/70/456636170.db2.gz RXQIUNXHJKJLFI-GOSISDBHSA-N 2 2 342.487 3.028 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017265 456653758 /nfs/dbraw/zinc/65/37/58/456653758.db2.gz CTWGNHJMSRZLMO-VQIMIIECSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cn1 ZINC000277017265 456653762 /nfs/dbraw/zinc/65/37/62/456653762.db2.gz CTWGNHJMSRZLMO-VQIMIIECSA-N 2 2 343.446 3.162 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000282970875 456678329 /nfs/dbraw/zinc/67/83/29/456678329.db2.gz LFBYJGHNSHIOTB-IBGZPJMESA-N 2 2 349.482 3.120 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2cnccn12 ZINC000282970875 456678332 /nfs/dbraw/zinc/67/83/32/456678332.db2.gz LFBYJGHNSHIOTB-IBGZPJMESA-N 2 2 349.482 3.120 20 0 EGADLP C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2Oc2cc[nH+]cc2)C1 ZINC000338171190 456682173 /nfs/dbraw/zinc/68/21/73/456682173.db2.gz BVXPQDKNURYIKB-HNNXBMFYSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176510 456686956 /nfs/dbraw/zinc/68/69/56/456686956.db2.gz TVWHNFALVAFHJV-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338176510 456686962 /nfs/dbraw/zinc/68/69/62/456686962.db2.gz TVWHNFALVAFHJV-HUUCEWRRSA-N 2 2 325.412 3.039 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)[C@H]3OCCc4sccc43)n2c1 ZINC000291643261 456705195 /nfs/dbraw/zinc/70/51/95/456705195.db2.gz BRYNRBDSVZOYQU-SCLBCKFNSA-N 2 2 327.453 3.496 20 0 EGADLP c1c(CC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)[nH+]c2n1CCCC2 ZINC000338213440 456710086 /nfs/dbraw/zinc/71/00/86/456710086.db2.gz YDOOSSXAGBPJLN-FQEVSTJZSA-N 2 2 347.466 3.126 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000348486612 456710733 /nfs/dbraw/zinc/71/07/33/456710733.db2.gz ZJSSGXMZNQYKNC-MJGOQNOKSA-N 2 2 328.460 3.220 20 0 EGADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000343584039 456723400 /nfs/dbraw/zinc/72/34/00/456723400.db2.gz ZRGNOLYQMJRGDS-QGZVFWFLSA-N 2 2 339.439 3.478 20 0 EGADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000343584039 456723406 /nfs/dbraw/zinc/72/34/06/456723406.db2.gz ZRGNOLYQMJRGDS-QGZVFWFLSA-N 2 2 339.439 3.478 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277230721 456735021 /nfs/dbraw/zinc/73/50/21/456735021.db2.gz YTKSHDRMJJYJQM-QUCCMNQESA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277230721 456735030 /nfs/dbraw/zinc/73/50/30/456735030.db2.gz YTKSHDRMJJYJQM-QUCCMNQESA-N 2 2 339.483 3.332 20 0 EGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C1CCC(O)CC1 ZINC000353524202 456735362 /nfs/dbraw/zinc/73/53/62/456735362.db2.gz ZWJQZNYYCMFDAD-SOAGJPPSSA-N 2 2 330.516 3.353 20 0 EGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C1CCC(O)CC1 ZINC000353524202 456735365 /nfs/dbraw/zinc/73/53/65/456735365.db2.gz ZWJQZNYYCMFDAD-SOAGJPPSSA-N 2 2 330.516 3.353 20 0 EGADLP CN(CCC[NH+]1CCCC1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338270881 456741879 /nfs/dbraw/zinc/74/18/79/456741879.db2.gz LFHLHUYWPOPSHY-UHFFFAOYSA-N 2 2 339.439 3.432 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543243 456747346 /nfs/dbraw/zinc/74/73/46/456747346.db2.gz AZVLUJYRLNUFNF-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1)C1(C(=O)OC)CCC1 ZINC000353543243 456747349 /nfs/dbraw/zinc/74/73/49/456747349.db2.gz AZVLUJYRLNUFNF-AEFFLSMTSA-N 2 2 332.488 3.218 20 0 EGADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551298 456753374 /nfs/dbraw/zinc/75/33/74/456753374.db2.gz RQALUYUXLGZLJD-OKZBNKHCSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353551298 456753381 /nfs/dbraw/zinc/75/33/81/456753381.db2.gz RQALUYUXLGZLJD-OKZBNKHCSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353551298 456753382 /nfs/dbraw/zinc/75/33/82/456753382.db2.gz RQALUYUXLGZLJD-OKZBNKHCSA-N 2 2 349.519 3.211 20 0 EGADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353551298 456753388 /nfs/dbraw/zinc/75/33/88/456753388.db2.gz RQALUYUXLGZLJD-OKZBNKHCSA-N 2 2 349.519 3.211 20 0 EGADLP Cc1cccn2c(CN3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c[nH+]c12 ZINC000353570868 456770536 /nfs/dbraw/zinc/77/05/36/456770536.db2.gz XKWZTZONSGVGLU-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2c(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)c[nH+]c12 ZINC000353570868 456770541 /nfs/dbraw/zinc/77/05/41/456770541.db2.gz XKWZTZONSGVGLU-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2c(CN3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c[nH+]c12 ZINC000353570869 456771022 /nfs/dbraw/zinc/77/10/22/456771022.db2.gz XKWZTZONSGVGLU-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1cccn2c(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c[nH+]c12 ZINC000353570869 456771030 /nfs/dbraw/zinc/77/10/30/456771030.db2.gz XKWZTZONSGVGLU-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000353580980 456779765 /nfs/dbraw/zinc/77/97/65/456779765.db2.gz ZTBBSVCCNZAVJJ-SFHVURJKSA-N 2 2 349.519 3.070 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000353580980 456779769 /nfs/dbraw/zinc/77/97/69/456779769.db2.gz ZTBBSVCCNZAVJJ-SFHVURJKSA-N 2 2 349.519 3.070 20 0 EGADLP C[NH+](CCC[N@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O)Cc1ccco1 ZINC000353580980 456779779 /nfs/dbraw/zinc/77/97/79/456779779.db2.gz ZTBBSVCCNZAVJJ-SFHVURJKSA-N 2 2 349.519 3.070 20 0 EGADLP C[NH+](CCC[N@@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O)Cc1ccco1 ZINC000353580980 456779785 /nfs/dbraw/zinc/77/97/85/456779785.db2.gz ZTBBSVCCNZAVJJ-SFHVURJKSA-N 2 2 349.519 3.070 20 0 EGADLP CCN(C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000277331809 456781328 /nfs/dbraw/zinc/78/13/28/456781328.db2.gz VPZDNSLHHSNLRT-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP CCN(C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000277331809 456781333 /nfs/dbraw/zinc/78/13/33/456781333.db2.gz VPZDNSLHHSNLRT-VQIMIIECSA-N 2 2 349.494 3.151 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338429274 456813719 /nfs/dbraw/zinc/81/37/19/456813719.db2.gz DYYGAJHGJUXJTK-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000338429274 456813725 /nfs/dbraw/zinc/81/37/25/456813725.db2.gz DYYGAJHGJUXJTK-IBGZPJMESA-N 2 2 340.471 3.257 20 0 EGADLP C[NH+](C)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1cccc(F)c1 ZINC000301186066 456816305 /nfs/dbraw/zinc/81/63/05/456816305.db2.gz UUHZIHHURHETQM-KRWDZBQOSA-N 2 2 343.450 3.321 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N(C)CC1CC[NH+](C)CC1 ZINC000301187772 456817432 /nfs/dbraw/zinc/81/74/32/456817432.db2.gz KJKLFEOOTZPITC-UHFFFAOYSA-N 2 2 341.455 3.190 20 0 EGADLP Cc1ccc(CCC[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c[nH+]1 ZINC000353654941 456834826 /nfs/dbraw/zinc/83/48/26/456834826.db2.gz WMEVTKOZLVMDMH-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP Cc1ccc(CCC[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c[nH+]1 ZINC000353654941 456834831 /nfs/dbraw/zinc/83/48/31/456834831.db2.gz WMEVTKOZLVMDMH-FQEVSTJZSA-N 2 2 337.467 3.450 20 0 EGADLP O[C@]1(C[NH2+]C/C=C\c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344526230 456835526 /nfs/dbraw/zinc/83/55/26/456835526.db2.gz JHXLREALQSLZMK-PAKAJVGYSA-N 2 2 340.442 3.066 20 0 EGADLP O[C@]1(C[NH2+]C/C=C\c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344526230 456835528 /nfs/dbraw/zinc/83/55/28/456835528.db2.gz JHXLREALQSLZMK-PAKAJVGYSA-N 2 2 340.442 3.066 20 0 EGADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)c2ccccc21 ZINC000338689119 456852975 /nfs/dbraw/zinc/85/29/75/456852975.db2.gz RBWRSEKIUJXSKX-RBUKOAKNSA-N 2 2 330.472 3.244 20 0 EGADLP O=C(CCn1cc[nH+]c1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277535341 456854861 /nfs/dbraw/zinc/85/48/61/456854861.db2.gz HZBBOATTYSOLFO-UHFFFAOYSA-N 2 2 335.411 3.112 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc2c1OCCCO2 ZINC000348811774 456866875 /nfs/dbraw/zinc/86/68/75/456866875.db2.gz DCSBNKKTJZWMFT-UHFFFAOYSA-N 2 2 344.455 3.395 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc2c1OCCCO2 ZINC000348811774 456866877 /nfs/dbraw/zinc/86/68/77/456866877.db2.gz DCSBNKKTJZWMFT-UHFFFAOYSA-N 2 2 344.455 3.395 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1cccc2c1OCCCO2)Cc1ccco1 ZINC000348811774 456866878 /nfs/dbraw/zinc/86/68/78/456866878.db2.gz DCSBNKKTJZWMFT-UHFFFAOYSA-N 2 2 344.455 3.395 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1cccc2c1OCCCO2)Cc1ccco1 ZINC000348811774 456866881 /nfs/dbraw/zinc/86/68/81/456866881.db2.gz DCSBNKKTJZWMFT-UHFFFAOYSA-N 2 2 344.455 3.395 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948885 456869802 /nfs/dbraw/zinc/86/98/02/456869802.db2.gz OMDKIWALLWGRGB-YJBOKZPZSA-N 2 2 341.503 3.189 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948885 456869808 /nfs/dbraw/zinc/86/98/08/456869808.db2.gz OMDKIWALLWGRGB-YJBOKZPZSA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948885 456869811 /nfs/dbraw/zinc/86/98/11/456869811.db2.gz OMDKIWALLWGRGB-YJBOKZPZSA-N 2 2 341.503 3.189 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(-c3ccccn3)c2C)C[C@@H]1C ZINC000338948885 456869817 /nfs/dbraw/zinc/86/98/17/456869817.db2.gz OMDKIWALLWGRGB-YJBOKZPZSA-N 2 2 341.503 3.189 20 0 EGADLP Cc1cccc(OC[C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000341510709 456870129 /nfs/dbraw/zinc/87/01/29/456870129.db2.gz NOHVEFVSMAZAJT-SFHVURJKSA-N 2 2 339.483 3.412 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@@H+]1C1CC1 ZINC000344975258 456884390 /nfs/dbraw/zinc/88/43/90/456884390.db2.gz QEUHAGLEFKBMAZ-LPHOPBHVSA-N 2 2 337.467 3.375 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccncc2)C[N@H+]1C1CC1 ZINC000344975258 456884394 /nfs/dbraw/zinc/88/43/94/456884394.db2.gz QEUHAGLEFKBMAZ-LPHOPBHVSA-N 2 2 337.467 3.375 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765976 456896614 /nfs/dbraw/zinc/89/66/14/456896614.db2.gz FRLVNKRXXOPFPA-JXFKEZNVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765976 456896617 /nfs/dbraw/zinc/89/66/17/456896617.db2.gz FRLVNKRXXOPFPA-JXFKEZNVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765976 456896619 /nfs/dbraw/zinc/89/66/19/456896619.db2.gz FRLVNKRXXOPFPA-JXFKEZNVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@@H]1C ZINC000353765976 456896622 /nfs/dbraw/zinc/89/66/22/456896622.db2.gz FRLVNKRXXOPFPA-JXFKEZNVSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765979 456897613 /nfs/dbraw/zinc/89/76/13/456897613.db2.gz FRLVNKRXXOPFPA-UZLBHIALSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765979 456897616 /nfs/dbraw/zinc/89/76/16/456897616.db2.gz FRLVNKRXXOPFPA-UZLBHIALSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765979 456897620 /nfs/dbraw/zinc/89/76/20/456897620.db2.gz FRLVNKRXXOPFPA-UZLBHIALSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(-c3ccccc3)nc2C)C[C@H]1C ZINC000353765979 456897623 /nfs/dbraw/zinc/89/76/23/456897623.db2.gz FRLVNKRXXOPFPA-UZLBHIALSA-N 2 2 326.488 3.485 20 0 EGADLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000345064362 456913960 /nfs/dbraw/zinc/91/39/60/456913960.db2.gz DEVMSPLMPJXLOU-DDUZABMNSA-N 2 2 340.870 3.488 20 0 EGADLP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000345064362 456913965 /nfs/dbraw/zinc/91/39/65/456913965.db2.gz DEVMSPLMPJXLOU-DDUZABMNSA-N 2 2 340.870 3.488 20 0 EGADLP C[C@H]1CN(C/C=C\c2ccc(F)cc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349272593 456928135 /nfs/dbraw/zinc/92/81/35/456928135.db2.gz ATOZUMJFJIXKRL-QGZUEGPWSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@H]1CN(C/C=C\c2ccc(F)cc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349272593 456928138 /nfs/dbraw/zinc/92/81/38/456928138.db2.gz ATOZUMJFJIXKRL-QGZUEGPWSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272593 456928141 /nfs/dbraw/zinc/92/81/41/456928141.db2.gz ATOZUMJFJIXKRL-QGZUEGPWSA-N 2 2 349.469 3.078 20 0 EGADLP C[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CCN1C1CC[NH+](C)CC1 ZINC000349272593 456928144 /nfs/dbraw/zinc/92/81/44/456928144.db2.gz ATOZUMJFJIXKRL-QGZUEGPWSA-N 2 2 349.469 3.078 20 0 EGADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000345122846 456933561 /nfs/dbraw/zinc/93/35/61/456933561.db2.gz AKYHSNGFHDYFJA-ZBFHGGJFSA-N 2 2 331.485 3.034 20 0 EGADLP CC[N@@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000341771559 456936657 /nfs/dbraw/zinc/93/66/57/456936657.db2.gz ITAFQXREWANCOO-MRXNPFEDSA-N 2 2 339.439 3.349 20 0 EGADLP CC[N@H+]1CCN(C(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000341771559 456936662 /nfs/dbraw/zinc/93/66/62/456936662.db2.gz ITAFQXREWANCOO-MRXNPFEDSA-N 2 2 339.439 3.349 20 0 EGADLP CC1CC[NH+]([C@@H](CNc2[nH+]cnc3[nH]ccc32)c2ccccc2)CC1 ZINC000339142437 456960648 /nfs/dbraw/zinc/96/06/48/456960648.db2.gz NIQLBIBEHVJIRC-SFHVURJKSA-N 2 2 335.455 3.265 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000349404158 456963525 /nfs/dbraw/zinc/96/35/25/456963525.db2.gz FJIYNDUOBORTTJ-UHFFFAOYSA-N 2 2 332.467 3.234 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000349404158 456963527 /nfs/dbraw/zinc/96/35/27/456963527.db2.gz FJIYNDUOBORTTJ-UHFFFAOYSA-N 2 2 332.467 3.234 20 0 EGADLP CN(C)c1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000349413388 456966095 /nfs/dbraw/zinc/96/60/95/456966095.db2.gz DTIZSAYCBYQWIN-UHFFFAOYSA-N 2 2 333.505 3.098 20 0 EGADLP CCCNC(=O)c1cccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c1 ZINC000353924329 456967371 /nfs/dbraw/zinc/96/73/71/456967371.db2.gz BGAHTQORCZDVMM-UHFFFAOYSA-N 2 2 325.456 3.252 20 0 EGADLP Cc1ccc(CCC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c[nH+]1 ZINC000353943993 456975072 /nfs/dbraw/zinc/97/50/72/456975072.db2.gz ISVOUFBTQZBEMZ-UHFFFAOYSA-N 3 2 327.472 3.053 20 0 EGADLP CCC1(C)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000353997704 456995775 /nfs/dbraw/zinc/99/57/75/456995775.db2.gz SLXRPZHFCMTYPH-HRWABPMOSA-N 2 2 335.536 3.019 20 0 EGADLP CCC1(C)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000353997704 456995781 /nfs/dbraw/zinc/99/57/81/456995781.db2.gz SLXRPZHFCMTYPH-HRWABPMOSA-N 2 2 335.536 3.019 20 0 EGADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000339242868 457012992 /nfs/dbraw/zinc/01/29/92/457012992.db2.gz YHDKJHULDAEUTI-UHFFFAOYSA-N 2 2 328.460 3.270 20 0 EGADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000339242868 457012996 /nfs/dbraw/zinc/01/29/96/457012996.db2.gz YHDKJHULDAEUTI-UHFFFAOYSA-N 2 2 328.460 3.270 20 0 EGADLP CC[C@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000339248796 457017584 /nfs/dbraw/zinc/01/75/84/457017584.db2.gz BGZMOJZVSRRNCV-MSOLQXFVSA-N 2 2 340.471 3.374 20 0 EGADLP CC[C@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000339248796 457017588 /nfs/dbraw/zinc/01/75/88/457017588.db2.gz BGZMOJZVSRRNCV-MSOLQXFVSA-N 2 2 340.471 3.374 20 0 EGADLP CC[C@H](C(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@H+](C)Cc1ccccc1 ZINC000354031740 457021655 /nfs/dbraw/zinc/02/16/55/457021655.db2.gz OGOCLKOMRYOLRQ-GOSISDBHSA-N 2 2 336.439 3.492 20 0 EGADLP CC[C@H](C(=O)Nc1ccc2[nH+]c(C)cn2c1)[N@@H+](C)Cc1ccccc1 ZINC000354031740 457021661 /nfs/dbraw/zinc/02/16/61/457021661.db2.gz OGOCLKOMRYOLRQ-GOSISDBHSA-N 2 2 336.439 3.492 20 0 EGADLP CC[C@H]1C[N@H+](CCNc2cc(C)[nH+]c3c(OC)cccc23)CCO1 ZINC000362680295 457041162 /nfs/dbraw/zinc/04/11/62/457041162.db2.gz IJDCINDZQJVXHH-HNNXBMFYSA-N 2 2 329.444 3.075 20 0 EGADLP CC[C@H]1C[N@@H+](CCNc2cc(C)[nH+]c3c(OC)cccc23)CCO1 ZINC000362680295 457041170 /nfs/dbraw/zinc/04/11/70/457041170.db2.gz IJDCINDZQJVXHH-HNNXBMFYSA-N 2 2 329.444 3.075 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354099429 457061621 /nfs/dbraw/zinc/06/16/21/457061621.db2.gz DPEIMRPOSVNAHD-SFHVURJKSA-N 2 2 332.536 3.419 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354099429 457061626 /nfs/dbraw/zinc/06/16/26/457061626.db2.gz DPEIMRPOSVNAHD-SFHVURJKSA-N 2 2 332.536 3.419 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354099429 457061628 /nfs/dbraw/zinc/06/16/28/457061628.db2.gz DPEIMRPOSVNAHD-SFHVURJKSA-N 2 2 332.536 3.419 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354099429 457061632 /nfs/dbraw/zinc/06/16/32/457061632.db2.gz DPEIMRPOSVNAHD-SFHVURJKSA-N 2 2 332.536 3.419 20 0 EGADLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)c(OC)c1OC ZINC000354145591 457093766 /nfs/dbraw/zinc/09/37/66/457093766.db2.gz DUWIWCJYCAIVGM-UHFFFAOYSA-N 2 2 330.428 3.138 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC(F)F ZINC000354166223 457103972 /nfs/dbraw/zinc/10/39/72/457103972.db2.gz KIDDJWAASKBXEY-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC(F)F ZINC000354166223 457103978 /nfs/dbraw/zinc/10/39/78/457103978.db2.gz KIDDJWAASKBXEY-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC(F)F ZINC000354166223 457103986 /nfs/dbraw/zinc/10/39/86/457103986.db2.gz KIDDJWAASKBXEY-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC(F)F ZINC000354166223 457103991 /nfs/dbraw/zinc/10/39/91/457103991.db2.gz KIDDJWAASKBXEY-SFHVURJKSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(Cl)c1OC ZINC000354167903 457106005 /nfs/dbraw/zinc/10/60/05/457106005.db2.gz UIPOPGXBEKSEBW-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(Cl)c1OC ZINC000354167903 457106012 /nfs/dbraw/zinc/10/60/12/457106012.db2.gz UIPOPGXBEKSEBW-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc(Cl)c1OC ZINC000354167903 457106017 /nfs/dbraw/zinc/10/60/17/457106017.db2.gz UIPOPGXBEKSEBW-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(Cl)c1OC ZINC000354167903 457106020 /nfs/dbraw/zinc/10/60/20/457106020.db2.gz UIPOPGXBEKSEBW-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP CC(C)[N@H+](C)CCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354177207 457112625 /nfs/dbraw/zinc/11/26/25/457112625.db2.gz OIFBDAHGWHXCRK-UHFFFAOYSA-N 2 2 342.487 3.150 20 0 EGADLP CC(C)[N@@H+](C)CCCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354177207 457112629 /nfs/dbraw/zinc/11/26/29/457112629.db2.gz OIFBDAHGWHXCRK-UHFFFAOYSA-N 2 2 342.487 3.150 20 0 EGADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000342120985 457120447 /nfs/dbraw/zinc/12/04/47/457120447.db2.gz BAILCUPAJGUSFO-VIFPVBQESA-N 2 2 349.784 3.157 20 0 EGADLP COC(=O)[C@@]12C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]1CCCC2 ZINC000342166598 457145406 /nfs/dbraw/zinc/14/54/06/457145406.db2.gz ZMXAMBNELPKTDL-XLIONFOSSA-N 2 2 339.439 3.038 20 0 EGADLP COC(=O)[C@@]12C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]1CCCC2 ZINC000342166598 457145411 /nfs/dbraw/zinc/14/54/11/457145411.db2.gz ZMXAMBNELPKTDL-XLIONFOSSA-N 2 2 339.439 3.038 20 0 EGADLP OC[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000342293007 457217723 /nfs/dbraw/zinc/21/77/23/457217723.db2.gz OHOWZSFGUDVHEP-MRXNPFEDSA-N 2 2 341.842 3.391 20 0 EGADLP Cc1ccc(CCC[NH2+]C[C@H](c2c(F)cccc2F)N(C)C)c[nH+]1 ZINC000354488959 457254568 /nfs/dbraw/zinc/25/45/68/457254568.db2.gz AYOGVQBWIQNDDT-GOSISDBHSA-N 2 2 333.426 3.493 20 0 EGADLP Cc1[nH+]cc(CN(C)Cc2cn3c([nH+]2)CCCC3)n1-c1ccccc1 ZINC000373887476 457385482 /nfs/dbraw/zinc/38/54/82/457385482.db2.gz ZHCYZGPFNMYMHJ-UHFFFAOYSA-N 2 2 335.455 3.346 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360894147 457414953 /nfs/dbraw/zinc/41/49/53/457414953.db2.gz MLUIQGCOTQTCNB-YLJYHZDGSA-N 2 2 345.531 3.403 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360894147 457414957 /nfs/dbraw/zinc/41/49/57/457414957.db2.gz MLUIQGCOTQTCNB-YLJYHZDGSA-N 2 2 345.531 3.403 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC000360894768 457417375 /nfs/dbraw/zinc/41/73/75/457417375.db2.gz QSEYTZJWIQMZNU-UYAOXDASSA-N 2 2 345.531 3.205 20 0 EGADLP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC000360894768 457417382 /nfs/dbraw/zinc/41/73/82/457417382.db2.gz QSEYTZJWIQMZNU-UYAOXDASSA-N 2 2 345.531 3.205 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000352539400 457449299 /nfs/dbraw/zinc/44/92/99/457449299.db2.gz AGSGEVWCOCKEBB-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc(Cl)c1OC ZINC000352539400 457449301 /nfs/dbraw/zinc/44/93/01/457449301.db2.gz AGSGEVWCOCKEBB-GOSISDBHSA-N 2 2 338.879 3.323 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C)[nH+]1 ZINC000369900668 457451398 /nfs/dbraw/zinc/45/13/98/457451398.db2.gz PYZLKJVRNRQNAH-KRWDZBQOSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C)[nH+]1 ZINC000369900668 457451403 /nfs/dbraw/zinc/45/14/03/457451403.db2.gz PYZLKJVRNRQNAH-KRWDZBQOSA-N 2 2 338.455 3.213 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000360967534 457473027 /nfs/dbraw/zinc/47/30/27/457473027.db2.gz AGJOMKNVFJGCGA-FQEVSTJZSA-N 3 2 328.504 3.328 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360967534 457473032 /nfs/dbraw/zinc/47/30/32/457473032.db2.gz AGJOMKNVFJGCGA-FQEVSTJZSA-N 3 2 328.504 3.328 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000357364358 457474752 /nfs/dbraw/zinc/47/47/52/457474752.db2.gz MHHRTYCYMQICCP-SJORKVTESA-N 2 2 332.492 3.119 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000352571627 457475902 /nfs/dbraw/zinc/47/59/02/457475902.db2.gz WYTAMCPFAPBOBJ-IBGZPJMESA-N 2 2 335.923 3.250 20 0 EGADLP Cc1cc(Cl)ccc1CN1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000352571627 457475906 /nfs/dbraw/zinc/47/59/06/457475906.db2.gz WYTAMCPFAPBOBJ-IBGZPJMESA-N 2 2 335.923 3.250 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000360981456 457486750 /nfs/dbraw/zinc/48/67/50/457486750.db2.gz LOXZRMUTFDIARM-CABCVRRESA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000360981456 457486758 /nfs/dbraw/zinc/48/67/58/457486758.db2.gz LOXZRMUTFDIARM-CABCVRRESA-N 2 2 342.439 3.306 20 0 EGADLP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000360988598 457492978 /nfs/dbraw/zinc/49/29/78/457492978.db2.gz ZNUWQPDTEHTOSS-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000360988598 457492982 /nfs/dbraw/zinc/49/29/82/457492982.db2.gz ZNUWQPDTEHTOSS-UHFFFAOYSA-N 3 2 344.547 3.018 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000342789684 457530579 /nfs/dbraw/zinc/53/05/79/457530579.db2.gz LSCRHDKBVVXDAO-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2c1 ZINC000342789684 457530583 /nfs/dbraw/zinc/53/05/83/457530583.db2.gz LSCRHDKBVVXDAO-SFHVURJKSA-N 2 2 334.467 3.349 20 0 EGADLP COc1cccc(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1OC ZINC000406156848 457553927 /nfs/dbraw/zinc/55/39/27/457553927.db2.gz YGMPPEGNUWGTKE-OAQYLSRUSA-N 2 2 340.467 3.458 20 0 EGADLP COc1cccc(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000406156848 457553932 /nfs/dbraw/zinc/55/39/32/457553932.db2.gz YGMPPEGNUWGTKE-OAQYLSRUSA-N 2 2 340.467 3.458 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2cccc(NCc3ccc(-n4cc[nH+]c4)cc3)c2)C1 ZINC000361077140 457568988 /nfs/dbraw/zinc/56/89/88/457568988.db2.gz FVNYFVHRXWVPGF-OAQYLSRUSA-N 2 2 348.450 3.051 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2cccc(NCc3ccc(-n4cc[nH+]c4)cc3)c2)C1 ZINC000361077140 457568997 /nfs/dbraw/zinc/56/89/97/457568997.db2.gz FVNYFVHRXWVPGF-OAQYLSRUSA-N 2 2 348.450 3.051 20 0 EGADLP CCC[C@H](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370163459 457570527 /nfs/dbraw/zinc/57/05/27/457570527.db2.gz QBGHABMQHHIBPY-IRXDYDNUSA-N 2 2 346.519 3.200 20 0 EGADLP COc1ccccc1C[NH+]1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000352745128 457575899 /nfs/dbraw/zinc/57/58/99/457575899.db2.gz HKDDEHVFFHVSLA-UHFFFAOYSA-N 2 2 331.847 3.374 20 0 EGADLP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1(C(=O)OC)CCC1 ZINC000361110496 457586649 /nfs/dbraw/zinc/58/66/49/457586649.db2.gz WEFLVIZTTRKOLY-KRWDZBQOSA-N 2 2 327.428 3.084 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425919 457624502 /nfs/dbraw/zinc/62/45/02/457624502.db2.gz APDZOWLLTFRPQN-KURKYZTESA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ncc(-c2ccccc2)o1 ZINC000374425919 457624507 /nfs/dbraw/zinc/62/45/07/457624507.db2.gz APDZOWLLTFRPQN-KURKYZTESA-N 2 2 341.455 3.025 20 0 EGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650514 457639623 /nfs/dbraw/zinc/63/96/23/457639623.db2.gz OMVNQEBGTYJEMQ-ZDUSSCGKSA-N 2 2 346.393 3.035 20 0 EGADLP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650514 457639626 /nfs/dbraw/zinc/63/96/26/457639626.db2.gz OMVNQEBGTYJEMQ-ZDUSSCGKSA-N 2 2 346.393 3.035 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1F)CCC2 ZINC000374541734 457653151 /nfs/dbraw/zinc/65/31/51/457653151.db2.gz PQFOJFOMJNNVOE-AWEZNQCLSA-N 2 2 339.418 3.388 20 0 EGADLP Cc1nc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000357820098 457701725 /nfs/dbraw/zinc/70/17/25/457701725.db2.gz SRNBAUPEVPGSFD-UXHICEINSA-N 2 2 336.483 3.360 20 0 EGADLP Cc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000357820098 457701726 /nfs/dbraw/zinc/70/17/26/457701726.db2.gz SRNBAUPEVPGSFD-UXHICEINSA-N 2 2 336.483 3.360 20 0 EGADLP Clc1ccc(CN2CCC([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000361455303 457737269 /nfs/dbraw/zinc/73/72/69/457737269.db2.gz BUBDYHNYVSTEAM-SFHVURJKSA-N 2 2 344.890 3.106 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)[C@@H](C)C1 ZINC000358024542 457743112 /nfs/dbraw/zinc/74/31/12/457743112.db2.gz QZHUMJVFBJGMJB-CQDKDKBSSA-N 2 2 339.277 3.203 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)[C@@H](C)C1 ZINC000358024542 457743113 /nfs/dbraw/zinc/74/31/13/457743113.db2.gz QZHUMJVFBJGMJB-CQDKDKBSSA-N 2 2 339.277 3.203 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365383920 457755753 /nfs/dbraw/zinc/75/57/53/457755753.db2.gz WUNQKYMCHIOGER-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365383920 457755759 /nfs/dbraw/zinc/75/57/59/457755759.db2.gz WUNQKYMCHIOGER-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP Cc1cccc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000358067598 457763750 /nfs/dbraw/zinc/76/37/50/457763750.db2.gz XNVJDYPXHFKMIY-UHFFFAOYSA-N 2 2 325.456 3.023 20 0 EGADLP Clc1ccc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000358094322 457781299 /nfs/dbraw/zinc/78/12/99/457781299.db2.gz ZTSFPMKNPNJTAH-UHFFFAOYSA-N 2 2 345.874 3.368 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181152 457840753 /nfs/dbraw/zinc/84/07/53/457840753.db2.gz TZJLDNOJLXBHQM-WMLDXEAASA-N 2 2 342.512 3.210 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000358181152 457840758 /nfs/dbraw/zinc/84/07/58/457840758.db2.gz TZJLDNOJLXBHQM-WMLDXEAASA-N 2 2 342.512 3.210 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000371331166 457869567 /nfs/dbraw/zinc/86/95/67/457869567.db2.gz FSFBMJUBENPNNE-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000371331166 457869573 /nfs/dbraw/zinc/86/95/73/457869573.db2.gz FSFBMJUBENPNNE-KRWDZBQOSA-N 2 2 339.886 3.079 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874615 /nfs/dbraw/zinc/87/46/15/457874615.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874624 /nfs/dbraw/zinc/87/46/24/457874624.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874631 /nfs/dbraw/zinc/87/46/31/457874631.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP CC[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000358231518 457874637 /nfs/dbraw/zinc/87/46/37/457874637.db2.gz TWDBREZTGCEGKY-HMXCVIKNSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccn(C(F)F)n3)C1)CCCC2 ZINC000433754075 457877626 /nfs/dbraw/zinc/87/76/26/457877626.db2.gz QJRLUTXGPSLANZ-CQSZACIVSA-N 2 2 335.402 3.109 20 0 EGADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccn(C(F)F)n3)C1)CCCC2 ZINC000433754075 457877634 /nfs/dbraw/zinc/87/76/34/457877634.db2.gz QJRLUTXGPSLANZ-CQSZACIVSA-N 2 2 335.402 3.109 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000361836534 457897659 /nfs/dbraw/zinc/89/76/59/457897659.db2.gz GGLKSIZREJXTRE-HKUYNNGSSA-N 3 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H]1C ZINC000361836534 457897663 /nfs/dbraw/zinc/89/76/63/457897663.db2.gz GGLKSIZREJXTRE-HKUYNNGSSA-N 3 2 326.488 3.485 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccsc2c(=O)[nH]1 ZINC000411556134 457918516 /nfs/dbraw/zinc/91/85/16/457918516.db2.gz XLLSOLPWUUTCKB-KGLIPLIRSA-N 2 2 348.516 3.387 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358301441 457920330 /nfs/dbraw/zinc/92/03/30/457920330.db2.gz RBJWDKBDWFPERP-DZGCQCFKSA-N 2 2 347.450 3.177 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCSCC(F)(F)F ZINC000358301441 457920334 /nfs/dbraw/zinc/92/03/34/457920334.db2.gz RBJWDKBDWFPERP-DZGCQCFKSA-N 2 2 347.450 3.177 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877346 457924912 /nfs/dbraw/zinc/92/49/12/457924912.db2.gz MSYVTENODOXXCJ-OXQOHEQNSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000361877346 457924915 /nfs/dbraw/zinc/92/49/15/457924915.db2.gz MSYVTENODOXXCJ-OXQOHEQNSA-N 2 2 328.431 3.113 20 0 EGADLP OCCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000361881095 457927159 /nfs/dbraw/zinc/92/71/59/457927159.db2.gz QTQGYJRNZLPFNW-OAQYLSRUSA-N 2 2 339.483 3.149 20 0 EGADLP OCCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000361881094 457927402 /nfs/dbraw/zinc/92/74/02/457927402.db2.gz QTQGYJRNZLPFNW-NRFANRHFSA-N 2 2 339.483 3.149 20 0 EGADLP Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434013380 457930932 /nfs/dbraw/zinc/93/09/32/457930932.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 2 349.482 3.163 20 0 EGADLP Cc1nc2ccccn2c1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434013380 457930939 /nfs/dbraw/zinc/93/09/39/457930939.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 2 349.482 3.163 20 0 EGADLP Cc1nc2ccccn2c1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434013380 457930944 /nfs/dbraw/zinc/93/09/44/457930944.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 2 349.482 3.163 20 0 EGADLP Cc1nc2ccccn2c1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434013380 457930949 /nfs/dbraw/zinc/93/09/49/457930949.db2.gz TXOPHBPYHAXNAT-RXVVDRJESA-N 2 2 349.482 3.163 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000434015343 457931660 /nfs/dbraw/zinc/93/16/60/457931660.db2.gz ZKIRXVIJKWCIFD-FXAWDEMLSA-N 2 2 341.503 3.029 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000434015343 457931666 /nfs/dbraw/zinc/93/16/66/457931666.db2.gz ZKIRXVIJKWCIFD-FXAWDEMLSA-N 2 2 341.503 3.029 20 0 EGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)cn2)[C@@H]1c1cnn(C)c1 ZINC000434015343 457931673 /nfs/dbraw/zinc/93/16/73/457931673.db2.gz ZKIRXVIJKWCIFD-FXAWDEMLSA-N 2 2 341.503 3.029 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)[C@@H](C)C1 ZINC000358332362 457938441 /nfs/dbraw/zinc/93/84/41/457938441.db2.gz VZSTWZWPJGUYEG-BBRMVZONSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)[C@@H](C)C1 ZINC000358332362 457938446 /nfs/dbraw/zinc/93/84/46/457938446.db2.gz VZSTWZWPJGUYEG-BBRMVZONSA-N 2 2 330.394 3.195 20 0 EGADLP CCCCCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000411686631 457950025 /nfs/dbraw/zinc/95/00/25/457950025.db2.gz DLZTXQHAJYXZMD-LJQANCHMSA-N 2 2 345.531 3.183 20 0 EGADLP CCCCCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000411686631 457950033 /nfs/dbraw/zinc/95/00/33/457950033.db2.gz DLZTXQHAJYXZMD-LJQANCHMSA-N 2 2 345.531 3.183 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000411720868 457962081 /nfs/dbraw/zinc/96/20/81/457962081.db2.gz QWXIPTNUABJUTB-SFTDATJTSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000411720868 457962087 /nfs/dbraw/zinc/96/20/87/457962087.db2.gz QWXIPTNUABJUTB-SFTDATJTSA-N 2 2 344.499 3.052 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982929 457991375 /nfs/dbraw/zinc/99/13/75/457991375.db2.gz SBDSHAPUZVIEFP-VBHSOAQHSA-N 2 2 327.472 3.050 20 0 EGADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361982929 457991382 /nfs/dbraw/zinc/99/13/82/457991382.db2.gz SBDSHAPUZVIEFP-VBHSOAQHSA-N 2 2 327.472 3.050 20 0 EGADLP CCCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000375740162 458044174 /nfs/dbraw/zinc/04/41/74/458044174.db2.gz DLCFXHOGJYEKDL-UDFCRJRASA-N 2 2 335.536 3.019 20 0 EGADLP CCCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000375740162 458044182 /nfs/dbraw/zinc/04/41/82/458044182.db2.gz DLCFXHOGJYEKDL-UDFCRJRASA-N 2 2 335.536 3.019 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(F)c1 ZINC000427879853 458046048 /nfs/dbraw/zinc/04/60/48/458046048.db2.gz USPWNCIEZSPWCP-CMPLNLGQSA-N 2 2 338.224 3.450 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435375375 458125267 /nfs/dbraw/zinc/12/52/67/458125267.db2.gz UQGMCZSSSSAUCX-FQEVSTJZSA-N 2 2 347.466 3.118 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000435375375 458125273 /nfs/dbraw/zinc/12/52/73/458125273.db2.gz UQGMCZSSSSAUCX-FQEVSTJZSA-N 2 2 347.466 3.118 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376177 458126595 /nfs/dbraw/zinc/12/65/95/458126595.db2.gz YPOYJMKWVKJPIZ-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(Br)ccc1OC(F)F ZINC000435376177 458126600 /nfs/dbraw/zinc/12/66/00/458126600.db2.gz YPOYJMKWVKJPIZ-NXEZZACHSA-N 2 2 349.219 3.220 20 0 EGADLP COc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000435375772 458127158 /nfs/dbraw/zinc/12/71/58/458127158.db2.gz WJDPVGFUYPCGDK-UHFFFAOYSA-N 2 2 344.430 3.209 20 0 EGADLP COc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OCc1ccc(F)cc1 ZINC000435375772 458127164 /nfs/dbraw/zinc/12/71/64/458127164.db2.gz WJDPVGFUYPCGDK-UHFFFAOYSA-N 2 2 344.430 3.209 20 0 EGADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243781 458141219 /nfs/dbraw/zinc/14/12/19/458141219.db2.gz ZJFLRIZUDYTJFR-DLBZAZTESA-N 2 2 337.423 3.231 20 0 EGADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000369243781 458141228 /nfs/dbraw/zinc/14/12/28/458141228.db2.gz ZJFLRIZUDYTJFR-DLBZAZTESA-N 2 2 337.423 3.231 20 0 EGADLP COc1cccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425254 458143523 /nfs/dbraw/zinc/14/35/23/458143523.db2.gz CBJWTVLGAOFUIL-KRWDZBQOSA-N 2 2 343.496 3.296 20 0 EGADLP COc1cccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435425254 458143532 /nfs/dbraw/zinc/14/35/32/458143532.db2.gz CBJWTVLGAOFUIL-KRWDZBQOSA-N 2 2 343.496 3.296 20 0 EGADLP CCc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431557 458144002 /nfs/dbraw/zinc/14/40/02/458144002.db2.gz JFRHKTROMKJQDB-LJQANCHMSA-N 2 2 338.499 3.127 20 0 EGADLP CCc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431557 458144008 /nfs/dbraw/zinc/14/40/08/458144008.db2.gz JFRHKTROMKJQDB-LJQANCHMSA-N 2 2 338.499 3.127 20 0 EGADLP Cc1ncc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435432973 458146896 /nfs/dbraw/zinc/14/68/96/458146896.db2.gz PLGHVDUGWLSUBG-CQSZACIVSA-N 2 2 334.514 3.052 20 0 EGADLP Cc1ncc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435432973 458146902 /nfs/dbraw/zinc/14/69/02/458146902.db2.gz PLGHVDUGWLSUBG-CQSZACIVSA-N 2 2 334.514 3.052 20 0 EGADLP Cc1ncsc1C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC000435442134 458148163 /nfs/dbraw/zinc/14/81/63/458148163.db2.gz GXANKCMMDQPYEH-AWEZNQCLSA-N 2 2 337.439 3.341 20 0 EGADLP Cc1ncsc1C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+]C1 ZINC000435442134 458148169 /nfs/dbraw/zinc/14/81/69/458148169.db2.gz GXANKCMMDQPYEH-AWEZNQCLSA-N 2 2 337.439 3.341 20 0 EGADLP Cc1ccc(C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)cc1Oc1cc[nH+]cc1 ZINC000358726351 458173637 /nfs/dbraw/zinc/17/36/37/458173637.db2.gz QJWZGHQMNCFVEG-HZPDHXFCSA-N 2 2 339.439 3.347 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435620747 458173644 /nfs/dbraw/zinc/17/36/44/458173644.db2.gz FOICHMZSFIYHFU-QGZVFWFLSA-N 2 2 328.460 3.434 20 0 EGADLP CC(C)c1ccc(-c2noc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435620747 458173648 /nfs/dbraw/zinc/17/36/48/458173648.db2.gz FOICHMZSFIYHFU-QGZVFWFLSA-N 2 2 328.460 3.434 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+]CC3(c4ccccn4)CCC3)CC2)nc1 ZINC000376130388 458206768 /nfs/dbraw/zinc/20/67/68/458206768.db2.gz MSCHIJWEWDOLAK-UHFFFAOYSA-N 2 2 336.483 3.153 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022352 458258767 /nfs/dbraw/zinc/25/87/67/458258767.db2.gz RVAKNLFCMXBUGT-HXUWFJFHSA-N 2 2 330.472 3.170 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022352 458258770 /nfs/dbraw/zinc/25/87/70/458258770.db2.gz RVAKNLFCMXBUGT-HXUWFJFHSA-N 2 2 330.472 3.170 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022352 458258777 /nfs/dbraw/zinc/25/87/77/458258777.db2.gz RVAKNLFCMXBUGT-HXUWFJFHSA-N 2 2 330.472 3.170 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)C2)C1 ZINC000429022352 458258785 /nfs/dbraw/zinc/25/87/85/458258785.db2.gz RVAKNLFCMXBUGT-HXUWFJFHSA-N 2 2 330.472 3.170 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000436248756 458274665 /nfs/dbraw/zinc/27/46/65/458274665.db2.gz BPHAXODLBNFYNB-INIZCTEOSA-N 2 2 325.456 3.405 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000436275724 458281317 /nfs/dbraw/zinc/28/13/17/458281317.db2.gz QBMYBNOUTIMVSR-UHFFFAOYSA-N 2 2 330.451 3.035 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000372382522 458295193 /nfs/dbraw/zinc/29/51/93/458295193.db2.gz GQUPZQUXEBSIEK-MRXNPFEDSA-N 2 2 327.476 3.186 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000372382522 458295198 /nfs/dbraw/zinc/29/51/98/458295198.db2.gz GQUPZQUXEBSIEK-MRXNPFEDSA-N 2 2 327.476 3.186 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429267554 458303881 /nfs/dbraw/zinc/30/38/81/458303881.db2.gz YFFXQAKMEXLHOC-IBGZPJMESA-N 2 2 325.456 3.429 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429267554 458303883 /nfs/dbraw/zinc/30/38/83/458303883.db2.gz YFFXQAKMEXLHOC-IBGZPJMESA-N 2 2 325.456 3.429 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000447532120 458306500 /nfs/dbraw/zinc/30/65/00/458306500.db2.gz SEGXIKQRIJROIM-QGZVFWFLSA-N 3 2 342.487 3.154 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCS2 ZINC000372920830 458348931 /nfs/dbraw/zinc/34/89/31/458348931.db2.gz DCVCVYVGMHEMGY-XYJFISCASA-N 2 2 332.513 3.293 20 0 EGADLP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCS2 ZINC000372920830 458348935 /nfs/dbraw/zinc/34/89/35/458348935.db2.gz DCVCVYVGMHEMGY-XYJFISCASA-N 2 2 332.513 3.293 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000459385044 458354585 /nfs/dbraw/zinc/35/45/85/458354585.db2.gz ZAKTYVCBGMLXIZ-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000459385044 458354591 /nfs/dbraw/zinc/35/45/91/458354591.db2.gz ZAKTYVCBGMLXIZ-HNNXBMFYSA-N 2 2 333.863 3.407 20 0 EGADLP CC(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000459394434 458356695 /nfs/dbraw/zinc/35/66/95/458356695.db2.gz UAERVBLRCPOFRK-QFIPXVFZSA-N 2 2 341.543 3.286 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000459392927 458356724 /nfs/dbraw/zinc/35/67/24/458356724.db2.gz RQKQXAWOZUNUEB-SFHVURJKSA-N 2 2 341.846 3.127 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000459392927 458356729 /nfs/dbraw/zinc/35/67/29/458356729.db2.gz RQKQXAWOZUNUEB-SFHVURJKSA-N 2 2 341.846 3.127 20 0 EGADLP CC[C@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675390 458357016 /nfs/dbraw/zinc/35/70/16/458357016.db2.gz GIHHCPMUWRGEBF-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675390 458357023 /nfs/dbraw/zinc/35/70/23/458357023.db2.gz GIHHCPMUWRGEBF-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675390 458357027 /nfs/dbraw/zinc/35/70/27/458357027.db2.gz GIHHCPMUWRGEBF-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP CC[C@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000429675390 458357032 /nfs/dbraw/zinc/35/70/32/458357032.db2.gz GIHHCPMUWRGEBF-OALUTQOASA-N 2 2 334.529 3.105 20 0 EGADLP CCC(CC)CC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376679780 458368058 /nfs/dbraw/zinc/36/80/58/458368058.db2.gz LIRAWASBPJNCHA-QGZVFWFLSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000459447737 458375445 /nfs/dbraw/zinc/37/54/45/458375445.db2.gz VAJXVIZMUDAORM-KLAILNCOSA-N 2 2 337.533 3.161 20 0 EGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C2CC(OC(C)C)C2)C1 ZINC000459447737 458375449 /nfs/dbraw/zinc/37/54/49/458375449.db2.gz VAJXVIZMUDAORM-KLAILNCOSA-N 2 2 337.533 3.161 20 0 EGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459447737 458375450 /nfs/dbraw/zinc/37/54/50/458375450.db2.gz VAJXVIZMUDAORM-KLAILNCOSA-N 2 2 337.533 3.161 20 0 EGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C2CC(OC(C)C)C2)C1 ZINC000459447737 458375452 /nfs/dbraw/zinc/37/54/52/458375452.db2.gz VAJXVIZMUDAORM-KLAILNCOSA-N 2 2 337.533 3.161 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000459505598 458394730 /nfs/dbraw/zinc/39/47/30/458394730.db2.gz HZMUIQZEDSJRKB-AWEZNQCLSA-N 2 2 334.261 3.215 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000459505598 458394733 /nfs/dbraw/zinc/39/47/33/458394733.db2.gz HZMUIQZEDSJRKB-AWEZNQCLSA-N 2 2 334.261 3.215 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000430166135 458414175 /nfs/dbraw/zinc/41/41/75/458414175.db2.gz NRQVKUKUOFJDQW-INIZCTEOSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000430166135 458414181 /nfs/dbraw/zinc/41/41/81/458414181.db2.gz NRQVKUKUOFJDQW-INIZCTEOSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000430166135 458414186 /nfs/dbraw/zinc/41/41/86/458414186.db2.gz NRQVKUKUOFJDQW-INIZCTEOSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCOC[C@@H](C4CCC4)C3)sc2C1 ZINC000430166135 458414190 /nfs/dbraw/zinc/41/41/90/458414190.db2.gz NRQVKUKUOFJDQW-INIZCTEOSA-N 2 2 349.544 3.158 20 0 EGADLP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCCS2 ZINC000437008802 458422118 /nfs/dbraw/zinc/42/21/18/458422118.db2.gz WBWOYIDSZXIORA-BBRMVZONSA-N 2 2 329.469 3.423 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Cl)c(Cl)c1Cl ZINC000423481753 458439781 /nfs/dbraw/zinc/43/97/81/458439781.db2.gz QQUBWOQHHTVOCW-VHSXEESVSA-N 2 2 336.694 3.201 20 0 EGADLP c1ccc(CC[N@@H+](CCC[NH+]2CCCCC2)Cc2cccnc2)nc1 ZINC000430319108 458439753 /nfs/dbraw/zinc/43/97/53/458439753.db2.gz HBKYBGCJGPPOKE-UHFFFAOYSA-N 2 2 338.499 3.397 20 0 EGADLP c1ccc(CC[N@H+](CCC[NH+]2CCCCC2)Cc2cccnc2)nc1 ZINC000430319108 458439758 /nfs/dbraw/zinc/43/97/58/458439758.db2.gz HBKYBGCJGPPOKE-UHFFFAOYSA-N 2 2 338.499 3.397 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000423497108 458443906 /nfs/dbraw/zinc/44/39/06/458443906.db2.gz GBPJGNKHYYZWDM-MGPUTAFESA-N 2 2 339.483 3.301 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](Cc1ccccc1Cl)c1ccsc1 ZINC000423505119 458446021 /nfs/dbraw/zinc/44/60/21/458446021.db2.gz GMYFUUUXGBRDDD-FUHWJXTLSA-N 2 2 349.931 3.179 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000423510479 458447310 /nfs/dbraw/zinc/44/73/10/458447310.db2.gz SIRRZCSPRVHQEV-MOPGFXCFSA-N 2 2 338.430 3.490 20 0 EGADLP CCOC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698501 458451476 /nfs/dbraw/zinc/45/14/76/458451476.db2.gz CEOCZUNWPXLSRY-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000459698501 458451479 /nfs/dbraw/zinc/45/14/79/458451479.db2.gz CEOCZUNWPXLSRY-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000459698501 458451483 /nfs/dbraw/zinc/45/14/83/458451483.db2.gz CEOCZUNWPXLSRY-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP CCOC[C@@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000459698501 458451486 /nfs/dbraw/zinc/45/14/86/458451486.db2.gz CEOCZUNWPXLSRY-LEWJYISDSA-N 2 2 346.515 3.169 20 0 EGADLP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000423530869 458452631 /nfs/dbraw/zinc/45/26/31/458452631.db2.gz XMDOGRRBEGGQQT-UTKZUKDTSA-N 2 2 340.467 3.213 20 0 EGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000430553150 458459926 /nfs/dbraw/zinc/45/99/26/458459926.db2.gz CRXDTXIDPXIISA-BZNIZROVSA-N 2 2 346.302 3.134 20 0 EGADLP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000430563917 458462197 /nfs/dbraw/zinc/46/21/97/458462197.db2.gz XZQSQXPWUVYPLN-NSHDSACASA-N 2 2 346.302 3.087 20 0 EGADLP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000430563917 458462199 /nfs/dbraw/zinc/46/21/99/458462199.db2.gz XZQSQXPWUVYPLN-NSHDSACASA-N 2 2 346.302 3.087 20 0 EGADLP Cc1cccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccsc3)n21 ZINC000459747555 458467302 /nfs/dbraw/zinc/46/73/02/458467302.db2.gz OHXAIMYMCUTHST-UHFFFAOYSA-N 2 2 328.485 3.268 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619185 458471560 /nfs/dbraw/zinc/47/15/60/458471560.db2.gz ZQSMXLSUJCOGRZ-QWHCGFSZSA-N 2 2 334.851 3.382 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430619185 458471565 /nfs/dbraw/zinc/47/15/65/458471565.db2.gz ZQSMXLSUJCOGRZ-QWHCGFSZSA-N 2 2 334.851 3.382 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430621676 458471609 /nfs/dbraw/zinc/47/16/09/458471609.db2.gz CWZVXEMDELZRFA-SFHVURJKSA-N 2 2 349.563 3.412 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430621676 458471614 /nfs/dbraw/zinc/47/16/14/458471614.db2.gz CWZVXEMDELZRFA-SFHVURJKSA-N 2 2 349.563 3.412 20 0 EGADLP C[N@H+](CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430634907 458473963 /nfs/dbraw/zinc/47/39/63/458473963.db2.gz TUKXVZZJWJUZKV-UHFFFAOYSA-N 2 2 335.536 3.164 20 0 EGADLP C[N@@H+](CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430634907 458473967 /nfs/dbraw/zinc/47/39/67/458473967.db2.gz TUKXVZZJWJUZKV-UHFFFAOYSA-N 2 2 335.536 3.164 20 0 EGADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC([NH3+])CC1 ZINC000430672408 458477455 /nfs/dbraw/zinc/47/74/55/458477455.db2.gz ZSMGQQMPDVKOAA-JTQLQIEISA-N 2 2 340.349 3.240 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669669 458478197 /nfs/dbraw/zinc/47/81/97/458478197.db2.gz UGMKYSSIHLDDBX-IUODEOHRSA-N 2 2 334.851 3.134 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000430669669 458478200 /nfs/dbraw/zinc/47/82/00/458478200.db2.gz UGMKYSSIHLDDBX-IUODEOHRSA-N 2 2 334.851 3.134 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758927 458487837 /nfs/dbraw/zinc/48/78/37/458487837.db2.gz DRFAFFBXISKGCG-IAGOWNOFSA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758927 458487841 /nfs/dbraw/zinc/48/78/41/458487841.db2.gz DRFAFFBXISKGCG-IAGOWNOFSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758927 458487843 /nfs/dbraw/zinc/48/78/43/458487843.db2.gz DRFAFFBXISKGCG-IAGOWNOFSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2OC)C[C@H]1C ZINC000430758927 458487846 /nfs/dbraw/zinc/48/78/46/458487846.db2.gz DRFAFFBXISKGCG-IAGOWNOFSA-N 2 2 342.487 3.186 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C(C)C)cc1 ZINC000430926748 458506620 /nfs/dbraw/zinc/50/66/20/458506620.db2.gz GZTJLFHQDMIYTI-NBHGPNQESA-N 2 2 345.531 3.292 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C(C)C)cc1 ZINC000430926748 458506626 /nfs/dbraw/zinc/50/66/26/458506626.db2.gz GZTJLFHQDMIYTI-NBHGPNQESA-N 2 2 345.531 3.292 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955115 458509939 /nfs/dbraw/zinc/50/99/39/458509939.db2.gz HQYJSAYJAQHXRN-UWJYYQICSA-N 2 2 345.531 3.165 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)C1 ZINC000430955115 458509945 /nfs/dbraw/zinc/50/99/45/458509945.db2.gz HQYJSAYJAQHXRN-UWJYYQICSA-N 2 2 345.531 3.165 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@]3(CC)CCC[NH2+]3)ccc2n1C1CC1 ZINC000423929841 458514301 /nfs/dbraw/zinc/51/43/01/458514301.db2.gz JIPVWPVZLRDRKC-FQEVSTJZSA-N 2 2 340.471 3.082 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000373551260 458530281 /nfs/dbraw/zinc/53/02/81/458530281.db2.gz JTCCAHYQBBKPKZ-DNVCBOLYSA-N 2 2 339.487 3.008 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000377826024 458543236 /nfs/dbraw/zinc/54/32/36/458543236.db2.gz IBRYPYMMJOPKKP-MRXNPFEDSA-N 2 2 329.444 3.205 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000377826024 458543241 /nfs/dbraw/zinc/54/32/41/458543241.db2.gz IBRYPYMMJOPKKP-MRXNPFEDSA-N 2 2 329.444 3.205 20 0 EGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC[C@H]1CCOC1 ZINC000438186320 458547232 /nfs/dbraw/zinc/54/72/32/458547232.db2.gz NXEHSIAWAZUYLC-PXNSSMCTSA-N 2 2 330.516 3.476 20 0 EGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC[C@H]1CCOC1 ZINC000438186320 458547237 /nfs/dbraw/zinc/54/72/37/458547237.db2.gz NXEHSIAWAZUYLC-PXNSSMCTSA-N 2 2 330.516 3.476 20 0 EGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CC[C@H]1CCOC1 ZINC000438186319 458547491 /nfs/dbraw/zinc/54/74/91/458547491.db2.gz NXEHSIAWAZUYLC-FXAWDEMLSA-N 2 2 330.516 3.476 20 0 EGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CC[C@H]1CCOC1 ZINC000438186319 458547495 /nfs/dbraw/zinc/54/74/95/458547495.db2.gz NXEHSIAWAZUYLC-FXAWDEMLSA-N 2 2 330.516 3.476 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C2CCCCC2)n1 ZINC000377888847 458563960 /nfs/dbraw/zinc/56/39/60/458563960.db2.gz MEIQREBTBOTIHJ-MRXNPFEDSA-N 2 2 327.476 3.191 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(C2CCCCC2)n1 ZINC000377888847 458563966 /nfs/dbraw/zinc/56/39/66/458563966.db2.gz MEIQREBTBOTIHJ-MRXNPFEDSA-N 2 2 327.476 3.191 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377887262 458564233 /nfs/dbraw/zinc/56/42/33/458564233.db2.gz DPMVLQSYSQKRPX-GOSISDBHSA-N 2 2 348.450 3.480 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000377887262 458564236 /nfs/dbraw/zinc/56/42/36/458564236.db2.gz DPMVLQSYSQKRPX-GOSISDBHSA-N 2 2 348.450 3.480 20 0 EGADLP COC(=O)CC1CC([NH2+]C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000424263060 458596185 /nfs/dbraw/zinc/59/61/85/458596185.db2.gz FKBDBYYLXPVVME-NKELODKYSA-N 2 2 330.472 3.063 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424270879 458599016 /nfs/dbraw/zinc/59/90/16/458599016.db2.gz RCYZRVPXHWEDJX-ZDUSSCGKSA-N 2 2 326.868 3.110 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000438999776 458641446 /nfs/dbraw/zinc/64/14/46/458641446.db2.gz MSUUTPUNUSPTHV-AWEZNQCLSA-N 2 2 342.443 3.201 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000456355899 458643403 /nfs/dbraw/zinc/64/34/03/458643403.db2.gz OHDKZBJTIKEXQA-ZDUSSCGKSA-N 2 2 340.427 3.202 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790812 458655063 /nfs/dbraw/zinc/65/50/63/458655063.db2.gz JCERIYJSJNEHNI-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790812 458655069 /nfs/dbraw/zinc/65/50/69/458655069.db2.gz JCERIYJSJNEHNI-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790812 458655075 /nfs/dbraw/zinc/65/50/75/458655075.db2.gz JCERIYJSJNEHNI-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)[C@H]2C1 ZINC000462790812 458655079 /nfs/dbraw/zinc/65/50/79/458655079.db2.gz JCERIYJSJNEHNI-AEFFLSMTSA-N 2 2 330.472 3.168 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@H]3CC[N@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924616 458667080 /nfs/dbraw/zinc/66/70/80/458667080.db2.gz KIBHZFICEUYHQU-AEFFLSMTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@H]3CC[N@@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924616 458667088 /nfs/dbraw/zinc/66/70/88/458667088.db2.gz KIBHZFICEUYHQU-AEFFLSMTSA-N 2 2 343.519 3.389 20 0 EGADLP CC(C)COc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000503103244 458692434 /nfs/dbraw/zinc/69/24/34/458692434.db2.gz NVYXXPUSCBWDSD-FQEVSTJZSA-N 2 2 346.515 3.266 20 0 EGADLP CC(C)COc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000503103244 458692441 /nfs/dbraw/zinc/69/24/41/458692441.db2.gz NVYXXPUSCBWDSD-FQEVSTJZSA-N 2 2 346.515 3.266 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)CCC2 ZINC000547704639 458775704 /nfs/dbraw/zinc/77/57/04/458775704.db2.gz ZZZQBYSUIHYFSS-ZDUSSCGKSA-N 2 2 327.457 3.310 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079479 458795580 /nfs/dbraw/zinc/79/55/80/458795580.db2.gz AGSKPDKTJGFJAY-FUHWJXTLSA-N 2 2 333.524 3.384 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079479 458795585 /nfs/dbraw/zinc/79/55/85/458795585.db2.gz AGSKPDKTJGFJAY-FUHWJXTLSA-N 2 2 333.524 3.384 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472467264 458798834 /nfs/dbraw/zinc/79/88/34/458798834.db2.gz PMYXXTVGDRFBRC-NVXWUHKLSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472467264 458798839 /nfs/dbraw/zinc/79/88/39/458798839.db2.gz PMYXXTVGDRFBRC-NVXWUHKLSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472467264 458798844 /nfs/dbraw/zinc/79/88/44/458798844.db2.gz PMYXXTVGDRFBRC-NVXWUHKLSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472467264 458798848 /nfs/dbraw/zinc/79/88/48/458798848.db2.gz PMYXXTVGDRFBRC-NVXWUHKLSA-N 2 2 340.471 3.461 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC000456855261 458800959 /nfs/dbraw/zinc/80/09/59/458800959.db2.gz ZMPOKVGPHJMSOB-HXUWFJFHSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1cc(C)c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC000456855261 458800967 /nfs/dbraw/zinc/80/09/67/458800967.db2.gz ZMPOKVGPHJMSOB-HXUWFJFHSA-N 2 2 337.467 3.369 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cc2c1C ZINC000473141323 458821283 /nfs/dbraw/zinc/82/12/83/458821283.db2.gz RHFNJJMFFOLHRY-INIZCTEOSA-N 2 2 341.499 3.470 20 0 EGADLP Cc1ccc2[nH]c(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc2c1C ZINC000473141323 458821289 /nfs/dbraw/zinc/82/12/89/458821289.db2.gz RHFNJJMFFOLHRY-INIZCTEOSA-N 2 2 341.499 3.470 20 0 EGADLP C[C@H](CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)[N@H+](C)Cc1ccccc1 ZINC000440629411 458834572 /nfs/dbraw/zinc/83/45/72/458834572.db2.gz YLAUNLUBCXIKDX-CYBMUJFWSA-N 2 2 340.393 3.429 20 0 EGADLP C[C@H](CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000440629411 458834576 /nfs/dbraw/zinc/83/45/76/458834576.db2.gz YLAUNLUBCXIKDX-CYBMUJFWSA-N 2 2 340.393 3.429 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902450 458842494 /nfs/dbraw/zinc/84/24/94/458842494.db2.gz DOYGOWZOQSSBHY-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902450 458842501 /nfs/dbraw/zinc/84/25/01/458842501.db2.gz DOYGOWZOQSSBHY-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902450 458842506 /nfs/dbraw/zinc/84/25/06/458842506.db2.gz DOYGOWZOQSSBHY-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)c(Cl)c2)C[C@@H]1C ZINC000530902450 458842510 /nfs/dbraw/zinc/84/25/10/458842510.db2.gz DOYGOWZOQSSBHY-HOCLYGCPSA-N 2 2 337.895 3.392 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441333091 458921634 /nfs/dbraw/zinc/92/16/34/458921634.db2.gz AAVBLEZVCWRLTE-PMACEKPBSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441333091 458921641 /nfs/dbraw/zinc/92/16/41/458921641.db2.gz AAVBLEZVCWRLTE-PMACEKPBSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441333091 458921647 /nfs/dbraw/zinc/92/16/47/458921647.db2.gz AAVBLEZVCWRLTE-PMACEKPBSA-N 2 2 345.531 3.402 20 0 EGADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441333091 458921652 /nfs/dbraw/zinc/92/16/52/458921652.db2.gz AAVBLEZVCWRLTE-PMACEKPBSA-N 2 2 345.531 3.402 20 0 EGADLP C[C@H](CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)n1cc[nH+]c1 ZINC000519828549 459011804 /nfs/dbraw/zinc/01/18/04/459011804.db2.gz USAFKVSORUOTFF-MRXNPFEDSA-N 2 2 326.444 3.459 20 0 EGADLP Cc1cnccc1C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000566895673 459016779 /nfs/dbraw/zinc/01/67/79/459016779.db2.gz LOAMRBRTTQYPGS-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP Cc1cnccc1C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000566895673 459016783 /nfs/dbraw/zinc/01/67/83/459016783.db2.gz LOAMRBRTTQYPGS-UHFFFAOYSA-N 2 2 331.504 3.293 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636785 459018792 /nfs/dbraw/zinc/01/87/92/459018792.db2.gz UTTBHJPDGAUZFL-ROUUACIJSA-N 2 2 331.463 3.499 20 0 EGADLP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)C2)cc1 ZINC000442636785 459018797 /nfs/dbraw/zinc/01/87/97/459018797.db2.gz UTTBHJPDGAUZFL-ROUUACIJSA-N 2 2 331.463 3.499 20 0 EGADLP C[N@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762082 459033039 /nfs/dbraw/zinc/03/30/39/459033039.db2.gz ZWUKCSFGDBUNHU-ONXXMXGDSA-N 2 2 339.270 3.356 20 0 EGADLP C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762082 459033044 /nfs/dbraw/zinc/03/30/44/459033044.db2.gz ZWUKCSFGDBUNHU-ONXXMXGDSA-N 2 2 339.270 3.356 20 0 EGADLP COCc1nc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(-c2ccccc2)s1 ZINC000442878417 459050330 /nfs/dbraw/zinc/05/03/30/459050330.db2.gz YWRLBPXRIAWWEE-GDBMZVCRSA-N 2 2 345.512 3.386 20 0 EGADLP COCc1nc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(-c2ccccc2)s1 ZINC000442878417 459050332 /nfs/dbraw/zinc/05/03/32/459050332.db2.gz YWRLBPXRIAWWEE-GDBMZVCRSA-N 2 2 345.512 3.386 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)n1C ZINC000496089219 459063395 /nfs/dbraw/zinc/06/33/95/459063395.db2.gz TYWMLMDCUACTTI-GOSISDBHSA-N 2 2 338.496 3.148 20 0 EGADLP c1cn(-c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)cc2)c[nH+]1 ZINC000567214114 459065568 /nfs/dbraw/zinc/06/55/68/459065568.db2.gz FJKPGCJWAAOYLI-YLJYHZDGSA-N 2 2 334.423 3.277 20 0 EGADLP Fc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000567233971 459070929 /nfs/dbraw/zinc/07/09/29/459070929.db2.gz DYWCKCLPHIFKDK-UHFFFAOYSA-N 2 2 339.458 3.464 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2c(c1)CCC(=O)N2 ZINC000532452054 459091752 /nfs/dbraw/zinc/09/17/52/459091752.db2.gz OCBOJHPMYPLUOL-CQSZACIVSA-N 2 2 334.423 3.112 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000532455305 459091920 /nfs/dbraw/zinc/09/19/20/459091920.db2.gz YSRYKGKQUBQUPJ-QLFBSQMISA-N 2 2 340.895 3.499 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000532455305 459091923 /nfs/dbraw/zinc/09/19/23/459091923.db2.gz YSRYKGKQUBQUPJ-QLFBSQMISA-N 2 2 340.895 3.499 20 0 EGADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1F ZINC000532497640 459099808 /nfs/dbraw/zinc/09/98/08/459099808.db2.gz BWYRNVRCXZQPMC-UTKZUKDTSA-N 2 2 341.474 3.465 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496186824 459101331 /nfs/dbraw/zinc/10/13/31/459101331.db2.gz OOHKADYDAJDRSP-ZBFHGGJFSA-N 2 2 348.491 3.097 20 0 EGADLP COc1cc(F)c(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000521445675 459154108 /nfs/dbraw/zinc/15/41/08/459154108.db2.gz XYOYVAGHMIURBS-CYBMUJFWSA-N 2 2 333.407 3.015 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477734 459164237 /nfs/dbraw/zinc/16/42/37/459164237.db2.gz HUZRNRBRYXDCIL-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477734 459164246 /nfs/dbraw/zinc/16/42/46/459164246.db2.gz HUZRNRBRYXDCIL-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477734 459164251 /nfs/dbraw/zinc/16/42/51/459164251.db2.gz HUZRNRBRYXDCIL-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@H]3C2)cc1 ZINC000558477734 459164254 /nfs/dbraw/zinc/16/42/54/459164254.db2.gz HUZRNRBRYXDCIL-YADHBBJMSA-N 3 2 341.543 3.316 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487632 459165522 /nfs/dbraw/zinc/16/55/22/459165522.db2.gz OSQNKIANBPJWHS-APWZRJJASA-N 2 2 340.471 3.222 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000558487632 459165528 /nfs/dbraw/zinc/16/55/28/459165528.db2.gz OSQNKIANBPJWHS-APWZRJJASA-N 2 2 340.471 3.222 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244960 459170451 /nfs/dbraw/zinc/17/04/51/459170451.db2.gz XAIZLJWQSRDDSZ-FZMZJTMJSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000578244960 459170457 /nfs/dbraw/zinc/17/04/57/459170457.db2.gz XAIZLJWQSRDDSZ-FZMZJTMJSA-N 2 2 349.276 3.151 20 0 EGADLP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000521885175 459188899 /nfs/dbraw/zinc/18/88/99/459188899.db2.gz OAZNKEXIMKJWAG-SECBINFHSA-N 2 2 333.220 3.287 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000594965452 459197533 /nfs/dbraw/zinc/19/75/33/459197533.db2.gz IRCLFEVBVQFVNX-DQDQTZLSSA-N 2 2 348.556 3.319 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000594965452 459197538 /nfs/dbraw/zinc/19/75/38/459197538.db2.gz IRCLFEVBVQFVNX-DQDQTZLSSA-N 2 2 348.556 3.319 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000496451795 459198242 /nfs/dbraw/zinc/19/82/42/459198242.db2.gz CZLGSHJTFGMGOR-LJQANCHMSA-N 2 2 347.503 3.095 20 0 EGADLP Cc1[nH+]cc(CNC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)n1C ZINC000568269396 459260214 /nfs/dbraw/zinc/26/02/14/459260214.db2.gz KFGPEKDTLGNNCB-FQEVSTJZSA-N 2 2 326.488 3.291 20 0 EGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000559959554 459287190 /nfs/dbraw/zinc/28/71/90/459287190.db2.gz WVBVHRPKRJZHPH-RDJZCZTQSA-N 2 2 326.488 3.491 20 0 EGADLP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000559959554 459287194 /nfs/dbraw/zinc/28/71/94/459287194.db2.gz WVBVHRPKRJZHPH-RDJZCZTQSA-N 2 2 326.488 3.491 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000482156241 459294136 /nfs/dbraw/zinc/29/41/36/459294136.db2.gz KLZHRKFVHXUOHJ-NVXWUHKLSA-N 2 2 336.476 3.365 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000496734458 459304538 /nfs/dbraw/zinc/30/45/38/459304538.db2.gz MXRWMQBCWIJFOV-JKSUJKDBSA-N 2 2 327.513 3.144 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1nnc2n1CCCCC2 ZINC000568740608 459337527 /nfs/dbraw/zinc/33/75/27/459337527.db2.gz MUJIDMGNHGOFJU-RYQLBKOJSA-N 2 2 339.487 3.148 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Br)cc(F)c3F)C[C@@H]21 ZINC000568772100 459343475 /nfs/dbraw/zinc/34/34/75/459343475.db2.gz OAVDQLJSRUYTDI-DUFXMDAXSA-N 2 2 345.231 3.287 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Br)cc(F)c3F)C[C@@H]21 ZINC000568772100 459343481 /nfs/dbraw/zinc/34/34/81/459343481.db2.gz OAVDQLJSRUYTDI-DUFXMDAXSA-N 2 2 345.231 3.287 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000582480796 459372498 /nfs/dbraw/zinc/37/24/98/459372498.db2.gz AURTXWPVVYWIIM-JENIJYKNSA-N 2 2 326.488 3.298 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000582488821 459373479 /nfs/dbraw/zinc/37/34/79/459373479.db2.gz SJDQGEUOOPAIHA-MOPGFXCFSA-N 2 2 331.504 3.171 20 0 EGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000582488821 459373487 /nfs/dbraw/zinc/37/34/87/459373487.db2.gz SJDQGEUOOPAIHA-MOPGFXCFSA-N 2 2 331.504 3.171 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](CCSc3ccc(F)cc3)CC2)c1 ZINC000483546536 459374349 /nfs/dbraw/zinc/37/43/49/459374349.db2.gz SLDGTENDABRSSB-UHFFFAOYSA-N 2 2 331.460 3.443 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)ccc2n1C ZINC000524698920 459380021 /nfs/dbraw/zinc/38/00/21/459380021.db2.gz QURAUDBTINCQQH-AWEZNQCLSA-N 2 2 348.450 3.267 20 0 EGADLP Cc1[nH+]c2cc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)ccc2n1C ZINC000524698920 459380026 /nfs/dbraw/zinc/38/00/26/459380026.db2.gz QURAUDBTINCQQH-AWEZNQCLSA-N 2 2 348.450 3.267 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000496991506 459397544 /nfs/dbraw/zinc/39/75/44/459397544.db2.gz BKAMNHMTPHWOKI-PMPSAXMXSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000496991506 459397547 /nfs/dbraw/zinc/39/75/47/459397547.db2.gz BKAMNHMTPHWOKI-PMPSAXMXSA-N 2 2 339.524 3.094 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000560910402 459405175 /nfs/dbraw/zinc/40/51/75/459405175.db2.gz SKQFVRHZLIJFLR-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867591 459458401 /nfs/dbraw/zinc/45/84/01/459458401.db2.gz PWGKPLIDPKVZJD-GOSISDBHSA-N 2 2 327.428 3.322 20 0 EGADLP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867591 459458406 /nfs/dbraw/zinc/45/84/06/459458406.db2.gz PWGKPLIDPKVZJD-GOSISDBHSA-N 2 2 327.428 3.322 20 0 EGADLP C[C@]1(NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000569609182 459480886 /nfs/dbraw/zinc/48/08/86/459480886.db2.gz MJMJKORGPQYUNA-FQEVSTJZSA-N 2 2 349.438 3.120 20 0 EGADLP C[C@]1(NC(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000569609182 459480893 /nfs/dbraw/zinc/48/08/93/459480893.db2.gz MJMJKORGPQYUNA-FQEVSTJZSA-N 2 2 349.438 3.120 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@@H+]1Cc1ccccc1 ZINC000583117654 459485470 /nfs/dbraw/zinc/48/54/70/459485470.db2.gz GWGMBBDAFZRAEV-UZLBHIALSA-N 2 2 334.467 3.326 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc3cnn(C)c3c2)C[N@H+]1Cc1ccccc1 ZINC000583117654 459485474 /nfs/dbraw/zinc/48/54/74/459485474.db2.gz GWGMBBDAFZRAEV-UZLBHIALSA-N 2 2 334.467 3.326 20 0 EGADLP CC[NH+](CC)CCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000541878962 459505224 /nfs/dbraw/zinc/50/52/24/459505224.db2.gz WZHCLVRAZGKSNG-INIZCTEOSA-N 2 2 347.507 3.232 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000583467678 459542770 /nfs/dbraw/zinc/54/27/70/459542770.db2.gz MMNPMQMUGSPFDW-UHFFFAOYSA-N 2 2 330.428 3.117 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000583467678 459542775 /nfs/dbraw/zinc/54/27/75/459542775.db2.gz MMNPMQMUGSPFDW-UHFFFAOYSA-N 2 2 330.428 3.117 20 0 EGADLP Cc1[nH+]cccc1Cc1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000573310530 459657389 /nfs/dbraw/zinc/65/73/89/459657389.db2.gz CDPNQJNJDSTVKN-GOSISDBHSA-N 2 2 349.438 3.138 20 0 EGADLP Cc1[nH+]cccc1Cc1noc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000573310530 459657393 /nfs/dbraw/zinc/65/73/93/459657393.db2.gz CDPNQJNJDSTVKN-GOSISDBHSA-N 2 2 349.438 3.138 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ncc(Br)cc1F ZINC000527633398 459679136 /nfs/dbraw/zinc/67/91/36/459679136.db2.gz ZBAZGBVWTSAUSP-GFCCVEGCSA-N 2 2 344.272 3.337 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ncc(Br)cc1F ZINC000527633398 459679139 /nfs/dbraw/zinc/67/91/39/459679139.db2.gz ZBAZGBVWTSAUSP-GFCCVEGCSA-N 2 2 344.272 3.337 20 0 EGADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563111909 459716352 /nfs/dbraw/zinc/71/63/52/459716352.db2.gz KXLPVNCINRKKCE-SUMWQHHRSA-N 2 2 334.826 3.052 20 0 EGADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563111909 459716357 /nfs/dbraw/zinc/71/63/57/459716357.db2.gz KXLPVNCINRKKCE-SUMWQHHRSA-N 2 2 334.826 3.052 20 0 EGADLP Cc1ccc2cc[nH+]c(N3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000573916153 459756066 /nfs/dbraw/zinc/75/60/66/459756066.db2.gz KHIPZQZWESHFCU-UHFFFAOYSA-N 2 2 339.483 3.482 20 0 EGADLP Clc1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000574430576 459818052 /nfs/dbraw/zinc/81/80/52/459818052.db2.gz RYMSORYBNXIPKY-HOCLYGCPSA-N 2 2 346.862 3.354 20 0 EGADLP Clc1ccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000574430576 459818054 /nfs/dbraw/zinc/81/80/54/459818054.db2.gz RYMSORYBNXIPKY-HOCLYGCPSA-N 2 2 346.862 3.354 20 0 EGADLP c1coc(-c2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)s2)c1 ZINC000574533017 459831760 /nfs/dbraw/zinc/83/17/60/459831760.db2.gz WYHUCBGLSWDLPO-OAHLLOKOSA-N 2 2 347.484 3.090 20 0 EGADLP c1coc(-c2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)s2)c1 ZINC000574533017 459831762 /nfs/dbraw/zinc/83/17/62/459831762.db2.gz WYHUCBGLSWDLPO-OAHLLOKOSA-N 2 2 347.484 3.090 20 0 EGADLP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C)n1C ZINC000585748453 459840178 /nfs/dbraw/zinc/84/01/78/459840178.db2.gz DLTBUQMQRROVAW-UHFFFAOYSA-N 2 2 345.531 3.413 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412589 459861455 /nfs/dbraw/zinc/86/14/55/459861455.db2.gz XUCNAECXXMWGPW-HZPDHXFCSA-N 2 2 339.439 3.229 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000566412589 459861461 /nfs/dbraw/zinc/86/14/61/459861461.db2.gz XUCNAECXXMWGPW-HZPDHXFCSA-N 2 2 339.439 3.229 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C(C)C)cc2)CC1 ZINC000545912988 459870417 /nfs/dbraw/zinc/87/04/17/459870417.db2.gz FLPUPHDZEAJREI-UHFFFAOYSA-N 2 2 332.488 3.317 20 0 EGADLP COC(=O)c1csc([C@@H](C)[NH2+]CCc2cn3cccc(C)c3[nH+]2)c1 ZINC000586790630 459874439 /nfs/dbraw/zinc/87/44/39/459874439.db2.gz WEMQFBXCGSBGCY-CYBMUJFWSA-N 2 2 343.452 3.384 20 0 EGADLP CCOC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000608779836 459882037 /nfs/dbraw/zinc/88/20/37/459882037.db2.gz TZEDOMGQUAJUGO-UHFFFAOYSA-N 2 2 327.428 3.038 20 0 EGADLP CCOC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000608779836 459882041 /nfs/dbraw/zinc/88/20/41/459882041.db2.gz TZEDOMGQUAJUGO-UHFFFAOYSA-N 2 2 327.428 3.038 20 0 EGADLP CCCN(CCC[NH+](C)C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000613866864 459955220 /nfs/dbraw/zinc/95/52/20/459955220.db2.gz CEYZYFCYBRPLEV-GOSISDBHSA-N 2 2 342.487 3.122 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000588687950 459967211 /nfs/dbraw/zinc/96/72/11/459967211.db2.gz HVYZILCAFYVBDM-UTKZUKDTSA-N 2 2 326.484 3.393 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000588687950 459967216 /nfs/dbraw/zinc/96/72/16/459967216.db2.gz HVYZILCAFYVBDM-UTKZUKDTSA-N 2 2 326.484 3.393 20 0 EGADLP c1cc2c(nc[nH+]c2Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[nH]1 ZINC000588896627 459999883 /nfs/dbraw/zinc/99/98/83/459999883.db2.gz PZODBVSWBYLPIS-UHFFFAOYSA-N 2 2 348.454 3.234 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)c2ccccc21 ZINC000621753415 460049450 /nfs/dbraw/zinc/04/94/50/460049450.db2.gz OGPWHFZJDFUWJW-IBGZPJMESA-N 2 2 348.450 3.273 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300485 460067955 /nfs/dbraw/zinc/06/79/55/460067955.db2.gz CAOOTTBYJORJHR-AABGKKOBSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300485 460067960 /nfs/dbraw/zinc/06/79/60/460067960.db2.gz CAOOTTBYJORJHR-AABGKKOBSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300485 460067964 /nfs/dbraw/zinc/06/79/64/460067964.db2.gz CAOOTTBYJORJHR-AABGKKOBSA-N 2 2 344.499 3.028 20 0 EGADLP COC(=O)[C@H](CC(C)C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000589300485 460067970 /nfs/dbraw/zinc/06/79/70/460067970.db2.gz CAOOTTBYJORJHR-AABGKKOBSA-N 2 2 344.499 3.028 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576122734 460075303 /nfs/dbraw/zinc/07/53/03/460075303.db2.gz LMOUSNPPKKOTCS-PXNSSMCTSA-N 2 2 334.479 3.334 20 0 EGADLP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576122734 460075308 /nfs/dbraw/zinc/07/53/08/460075308.db2.gz LMOUSNPPKKOTCS-PXNSSMCTSA-N 2 2 334.479 3.334 20 0 EGADLP C(CC1CC[NH+](Cc2noc(C3CCC3)n2)CC1)C[NH+]1CCCC1 ZINC000625261698 460095314 /nfs/dbraw/zinc/09/53/14/460095314.db2.gz BBIPYMGIWCUGDG-UHFFFAOYSA-N 2 2 332.492 3.425 20 0 EGADLP CCc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000597933541 460116444 /nfs/dbraw/zinc/11/64/44/460116444.db2.gz KNGYPPRSPZLXON-QGZVFWFLSA-N 2 2 325.460 3.068 20 0 EGADLP CC(C)(C[NH2+]Cc1[nH]nc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000589644455 460121982 /nfs/dbraw/zinc/12/19/82/460121982.db2.gz AFMUZUVPRKDYQT-UHFFFAOYSA-N 2 2 334.467 3.489 20 0 EGADLP CC(C)(C[NH2+]Cc1[nH]nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000589644455 460121997 /nfs/dbraw/zinc/12/19/97/460121997.db2.gz AFMUZUVPRKDYQT-UHFFFAOYSA-N 2 2 334.467 3.489 20 0 EGADLP CC(C)COc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576358990 460126611 /nfs/dbraw/zinc/12/66/11/460126611.db2.gz BZCYPOZKWIPJMT-FQEVSTJZSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)COc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000576358990 460126618 /nfs/dbraw/zinc/12/66/18/460126618.db2.gz BZCYPOZKWIPJMT-FQEVSTJZSA-N 2 2 346.515 3.408 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602869165 460166057 /nfs/dbraw/zinc/16/60/57/460166057.db2.gz JNJJDMYPVCMUKR-IBGZPJMESA-N 2 2 344.547 3.352 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602869165 460166063 /nfs/dbraw/zinc/16/60/63/460166063.db2.gz JNJJDMYPVCMUKR-IBGZPJMESA-N 2 2 344.547 3.352 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(C)(C)[C@H]3C3CC3)c2cc1C ZINC000576794994 460213646 /nfs/dbraw/zinc/21/36/46/460213646.db2.gz DJSJRYJIXKWVSI-QFBILLFUSA-N 2 2 327.472 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(C)(C)[C@H]3C3CC3)c2cc1C ZINC000576794994 460213650 /nfs/dbraw/zinc/21/36/50/460213650.db2.gz DJSJRYJIXKWVSI-QFBILLFUSA-N 2 2 327.472 3.134 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000599309045 460224234 /nfs/dbraw/zinc/22/42/34/460224234.db2.gz MLGRQKNUEMROOA-YJBOKZPZSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000599309045 460224239 /nfs/dbraw/zinc/22/42/39/460224239.db2.gz MLGRQKNUEMROOA-YJBOKZPZSA-N 2 2 349.906 3.030 20 0 EGADLP COC(=O)CCCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340380 460232015 /nfs/dbraw/zinc/23/20/15/460232015.db2.gz UZGUQKGQCNQYED-INIZCTEOSA-N 2 2 329.444 3.152 20 0 EGADLP COC(=O)CCCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340380 460232020 /nfs/dbraw/zinc/23/20/20/460232020.db2.gz UZGUQKGQCNQYED-INIZCTEOSA-N 2 2 329.444 3.152 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCC(C)([NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000631445989 460382577 /nfs/dbraw/zinc/38/25/77/460382577.db2.gz QKHRJABVAVUBEV-QGZVFWFLSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1CCCN(c2cc(N3CCC(C)([NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000631445989 460382584 /nfs/dbraw/zinc/38/25/84/460382584.db2.gz QKHRJABVAVUBEV-QGZVFWFLSA-N 2 2 343.519 3.168 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000623051779 460398845 /nfs/dbraw/zinc/39/88/45/460398845.db2.gz RTDPWYNSZNZRAG-ZYHUDNBSSA-N 2 2 338.249 3.163 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000623051779 460398854 /nfs/dbraw/zinc/39/88/54/460398854.db2.gz RTDPWYNSZNZRAG-ZYHUDNBSSA-N 2 2 338.249 3.163 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@@H+]1C ZINC000623051778 460399206 /nfs/dbraw/zinc/39/92/06/460399206.db2.gz RTDPWYNSZNZRAG-PWSUYJOCSA-N 2 2 338.249 3.163 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc(Br)ccc3o2)CC[N@H+]1C ZINC000623051778 460399209 /nfs/dbraw/zinc/39/92/09/460399209.db2.gz RTDPWYNSZNZRAG-PWSUYJOCSA-N 2 2 338.249 3.163 20 0 EGADLP CC1(C)Cc2cccc(C[NH2+]CC3CC[NH+](CC(F)F)CC3)c2O1 ZINC000623089191 460408421 /nfs/dbraw/zinc/40/84/21/460408421.db2.gz ZCYBVOKNFQVGFT-UHFFFAOYSA-N 2 2 338.442 3.467 20 0 EGADLP COc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(Cl)c1 ZINC000623088790 460409174 /nfs/dbraw/zinc/40/91/74/460409174.db2.gz FJLAKHMOSFKIQD-UHFFFAOYSA-N 2 2 332.822 3.415 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000628476142 460431709 /nfs/dbraw/zinc/43/17/09/460431709.db2.gz GXLLBWZBDZGICP-UHFFFAOYSA-N 2 2 335.517 3.097 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631578357 460454099 /nfs/dbraw/zinc/45/40/99/460454099.db2.gz RLNYXKOHJPPKMO-HTDHLNIYSA-N 2 2 326.484 3.369 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631578357 460454104 /nfs/dbraw/zinc/45/41/04/460454104.db2.gz RLNYXKOHJPPKMO-HTDHLNIYSA-N 2 2 326.484 3.369 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCOC(C)(C)C3)CC2)c1 ZINC000634678086 460472209 /nfs/dbraw/zinc/47/22/09/460472209.db2.gz IHLBDHIZSNBUTH-IBGZPJMESA-N 2 2 345.531 3.054 20 0 EGADLP Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)ncc1Br ZINC000623342571 460499893 /nfs/dbraw/zinc/49/98/93/460499893.db2.gz FORUSOXHSPUJEX-UHFFFAOYSA-N 2 2 326.282 3.118 20 0 EGADLP CC1(C)CCC[C@@](O)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000631678611 460504539 /nfs/dbraw/zinc/50/45/39/460504539.db2.gz GIWDJUCWOGRWHJ-FQEVSTJZSA-N 2 2 331.504 3.361 20 0 EGADLP COc1cc(C[NH2+]CCCCn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000623371671 460514186 /nfs/dbraw/zinc/51/41/86/460514186.db2.gz MXSGQKFLIXTCFE-UHFFFAOYSA-N 2 2 327.350 3.481 20 0 EGADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000623418392 460538648 /nfs/dbraw/zinc/53/86/48/460538648.db2.gz PECXIXPBMQVBRQ-CQSZACIVSA-N 2 2 348.434 3.500 20 0 EGADLP CC[N@H+](CCCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601220998 460755517 /nfs/dbraw/zinc/75/55/17/460755517.db2.gz FLLNXZIGKDYTJG-SFHVURJKSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@@H+](CCCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000601220998 460755520 /nfs/dbraw/zinc/75/55/20/460755520.db2.gz FLLNXZIGKDYTJG-SFHVURJKSA-N 2 2 346.519 3.075 20 0 EGADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccn3cc(C)[nH+]c3c2)c1 ZINC000635409676 460773911 /nfs/dbraw/zinc/77/39/11/460773911.db2.gz RILXCERKVLDQAO-UHFFFAOYSA-N 2 2 336.439 3.024 20 0 EGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccn3cc(C)[nH+]c3c2)c1 ZINC000635409676 460773916 /nfs/dbraw/zinc/77/39/16/460773916.db2.gz RILXCERKVLDQAO-UHFFFAOYSA-N 2 2 336.439 3.024 20 0 EGADLP C[NH+](C)[C@@]1(C[NH2+]CC2(O)CCC(c3ccccc3)CC2)CCSC1 ZINC000629565450 460812800 /nfs/dbraw/zinc/81/28/00/460812800.db2.gz PRTWUJJZIZZYMJ-IOJLRTSASA-N 2 2 348.556 3.102 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606657 460826531 /nfs/dbraw/zinc/82/65/31/460826531.db2.gz KWHLXFZFPIMQJA-KBXCAEBGSA-N 2 2 347.890 3.243 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C1CC1 ZINC000629606657 460826534 /nfs/dbraw/zinc/82/65/34/460826534.db2.gz KWHLXFZFPIMQJA-KBXCAEBGSA-N 2 2 347.890 3.243 20 0 EGADLP CC[N@H+](CC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000629651615 460846703 /nfs/dbraw/zinc/84/67/03/460846703.db2.gz UONYXPPYRMXCSU-UHFFFAOYSA-N 2 2 325.172 3.249 20 0 EGADLP CC[N@@H+](CC[NH3+])Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000629651615 460846709 /nfs/dbraw/zinc/84/67/09/460846709.db2.gz UONYXPPYRMXCSU-UHFFFAOYSA-N 2 2 325.172 3.249 20 0 EGADLP CCOc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)ccc1OCC(F)(F)F ZINC000629660411 460853271 /nfs/dbraw/zinc/85/32/71/460853271.db2.gz TYKAQEJICBCXMS-JSGCOSHPSA-N 2 2 346.393 3.257 20 0 EGADLP Clc1ccc(C[N@@H+]2CCC[C@H]2c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000629675525 460862635 /nfs/dbraw/zinc/86/26/35/460862635.db2.gz WPQZVKSYYMEQRH-GJZGRUSLSA-N 2 2 332.835 3.485 20 0 EGADLP Clc1ccc(C[N@H+]2CCC[C@H]2c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000629675525 460862641 /nfs/dbraw/zinc/86/26/41/460862641.db2.gz WPQZVKSYYMEQRH-GJZGRUSLSA-N 2 2 332.835 3.485 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)ccc2n1C1CC1 ZINC000635906319 460971399 /nfs/dbraw/zinc/97/13/99/460971399.db2.gz VMCSAQZZTLUPRM-SFHVURJKSA-N 2 2 340.471 3.034 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)ccc2n1C1CC1 ZINC000635906319 460971410 /nfs/dbraw/zinc/97/14/10/460971410.db2.gz VMCSAQZZTLUPRM-SFHVURJKSA-N 2 2 340.471 3.034 20 0 EGADLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ncc1Br ZINC000628157574 461023007 /nfs/dbraw/zinc/02/30/07/461023007.db2.gz MMIMYHVAZFBPNS-UHFFFAOYSA-N 2 2 335.249 3.255 20 0 EGADLP CN(C)c1c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186669 461037332 /nfs/dbraw/zinc/03/73/32/461037332.db2.gz SIQPCDZDOTXJDE-OAHLLOKOSA-N 2 2 337.458 3.195 20 0 EGADLP CN(C)c1c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186669 461037338 /nfs/dbraw/zinc/03/73/38/461037338.db2.gz SIQPCDZDOTXJDE-OAHLLOKOSA-N 2 2 337.458 3.195 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186669 461037342 /nfs/dbraw/zinc/03/73/42/461037342.db2.gz SIQPCDZDOTXJDE-OAHLLOKOSA-N 2 2 337.458 3.195 20 0 EGADLP CN(C)c1c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc(F)c1F ZINC000628186669 461037343 /nfs/dbraw/zinc/03/73/43/461037343.db2.gz SIQPCDZDOTXJDE-OAHLLOKOSA-N 2 2 337.458 3.195 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1csc(C(F)(F)F)c1)CCO2 ZINC000628322972 461088069 /nfs/dbraw/zinc/08/80/69/461088069.db2.gz UYNREZRIFFSGGS-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1csc(C(F)(F)F)c1)CCO2 ZINC000628322972 461088072 /nfs/dbraw/zinc/08/80/72/461088072.db2.gz UYNREZRIFFSGGS-UHFFFAOYSA-N 2 2 334.407 3.064 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C)CC[N@H+](Cc4ccccc4)C3)ccn12 ZINC000655166979 461111367 /nfs/dbraw/zinc/11/13/67/461111367.db2.gz DTDMXEMKIAUXHK-OAQYLSRUSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)ccn12 ZINC000655166979 461111374 /nfs/dbraw/zinc/11/13/74/461111374.db2.gz DTDMXEMKIAUXHK-OAQYLSRUSA-N 2 2 348.450 3.037 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)cc2[nH+]1 ZINC000668152044 461137416 /nfs/dbraw/zinc/13/74/16/461137416.db2.gz XMXYWSVWOHEJCU-HUUCEWRRSA-N 2 2 329.448 3.027 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(CCc3ccccc3)n1)C2 ZINC000652352305 461146208 /nfs/dbraw/zinc/14/62/08/461146208.db2.gz AGBFOGXKPBKPKF-PXNSSMCTSA-N 2 2 341.524 3.489 20 0 EGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(CCc3ccccc3)n1)C2 ZINC000652352305 461146217 /nfs/dbraw/zinc/14/62/17/461146217.db2.gz AGBFOGXKPBKPKF-PXNSSMCTSA-N 2 2 341.524 3.489 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353481 461148086 /nfs/dbraw/zinc/14/80/86/461148086.db2.gz LNKWDTKNFRKLKX-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H]1CC[NH3+] ZINC000652353481 461148095 /nfs/dbraw/zinc/14/80/95/461148095.db2.gz LNKWDTKNFRKLKX-WFASDCNBSA-N 2 2 343.393 3.093 20 0 EGADLP CCc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353883 461150603 /nfs/dbraw/zinc/15/06/03/461150603.db2.gz GJINZOMTGAHCCC-RHSMWYFYSA-N 2 2 328.460 3.248 20 0 EGADLP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])n2)cc1 ZINC000652353883 461150613 /nfs/dbraw/zinc/15/06/13/461150613.db2.gz GJINZOMTGAHCCC-RHSMWYFYSA-N 2 2 328.460 3.248 20 0 EGADLP Brc1scnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662295559 461176524 /nfs/dbraw/zinc/17/65/24/461176524.db2.gz VAYBKXPMJWAPOS-LBPRGKRZSA-N 2 2 344.322 3.117 20 0 EGADLP CC(C)c1cc(N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000630545735 461179971 /nfs/dbraw/zinc/17/99/71/461179971.db2.gz NACMBBCURFGMSF-KRWDZBQOSA-N 2 2 346.519 3.318 20 0 EGADLP Cc1nnsc1C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000649568080 461182457 /nfs/dbraw/zinc/18/24/57/461182457.db2.gz NXBQEQUYYSSQJF-CQSZACIVSA-N 2 2 327.457 3.169 20 0 EGADLP Cc1nnsc1C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000649568080 461182463 /nfs/dbraw/zinc/18/24/63/461182463.db2.gz NXBQEQUYYSSQJF-CQSZACIVSA-N 2 2 327.457 3.169 20 0 EGADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000649611285 461219118 /nfs/dbraw/zinc/21/91/18/461219118.db2.gz RDDHRXPWCGUHMW-SJORKVTESA-N 2 2 342.405 3.091 20 0 EGADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000649611285 461219126 /nfs/dbraw/zinc/21/91/26/461219126.db2.gz RDDHRXPWCGUHMW-SJORKVTESA-N 2 2 342.405 3.091 20 0 EGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167395 461282437 /nfs/dbraw/zinc/28/24/37/461282437.db2.gz DMKXWWYRJBKHIN-SOLBZPMBSA-N 2 2 330.472 3.250 20 0 EGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167395 461282447 /nfs/dbraw/zinc/28/24/47/461282447.db2.gz DMKXWWYRJBKHIN-SOLBZPMBSA-N 2 2 330.472 3.250 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167395 461282455 /nfs/dbraw/zinc/28/24/55/461282455.db2.gz DMKXWWYRJBKHIN-SOLBZPMBSA-N 2 2 330.472 3.250 20 0 EGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000638167395 461282466 /nfs/dbraw/zinc/28/24/66/461282466.db2.gz DMKXWWYRJBKHIN-SOLBZPMBSA-N 2 2 330.472 3.250 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641557702 461283891 /nfs/dbraw/zinc/28/38/91/461283891.db2.gz NSTZEAJWSTWWEQ-GOSISDBHSA-N 2 2 325.456 3.287 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641557702 461283900 /nfs/dbraw/zinc/28/39/00/461283900.db2.gz NSTZEAJWSTWWEQ-GOSISDBHSA-N 2 2 325.456 3.287 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000646486300 461292922 /nfs/dbraw/zinc/29/29/22/461292922.db2.gz POQSOFAJTDFCCL-UHFFFAOYSA-N 2 2 349.438 3.363 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N(C)CCCC[NH+]3CCCCC3)cc2n1C ZINC000641662393 461310037 /nfs/dbraw/zinc/31/00/37/461310037.db2.gz BTSGZQCUTKXKEB-UHFFFAOYSA-N 2 2 342.487 3.220 20 0 EGADLP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000662660753 461340064 /nfs/dbraw/zinc/34/00/64/461340064.db2.gz GGCQXQFMAJCBCO-QGZVFWFLSA-N 2 2 326.444 3.089 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H](OC)C1CCOCC1)c1ccccc1 ZINC000638287248 461349200 /nfs/dbraw/zinc/34/92/00/461349200.db2.gz SKPAYZSJRGXNRM-WOJBJXKFSA-N 2 2 334.504 3.101 20 0 EGADLP CC(C)CC[C@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000638304204 461355991 /nfs/dbraw/zinc/35/59/91/461355991.db2.gz YNRRHNMLTUTIHM-KRWDZBQOSA-N 2 2 338.455 3.304 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1(C)C ZINC000662756199 461365617 /nfs/dbraw/zinc/36/56/17/461365617.db2.gz IDTKBTLVHIUIFS-WMZOPIPTSA-N 2 2 346.519 3.408 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000655694910 461367535 /nfs/dbraw/zinc/36/75/35/461367535.db2.gz IMESWHZGJAKORG-UKRRQHHQSA-N 2 2 340.414 3.192 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1 ZINC000655698910 461369350 /nfs/dbraw/zinc/36/93/50/461369350.db2.gz YRJOHYRJKFRAEW-XJKSGUPXSA-N 2 2 340.414 3.192 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccn1 ZINC000655717464 461387434 /nfs/dbraw/zinc/38/74/34/461387434.db2.gz CWIAKYMKQHWIEF-YJBOKZPZSA-N 2 2 336.439 3.458 20 0 EGADLP Cn1c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc2ccccc21 ZINC000638379551 461397835 /nfs/dbraw/zinc/39/78/35/461397835.db2.gz HBEXDEOJZYLHFN-UHFFFAOYSA-N 2 2 334.467 3.328 20 0 EGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000668746414 461412288 /nfs/dbraw/zinc/41/22/88/461412288.db2.gz ONFWSXKOCUCJHI-FQEVSTJZSA-N 2 2 346.421 3.252 20 0 EGADLP Clc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655765098 461431706 /nfs/dbraw/zinc/43/17/06/461431706.db2.gz YNXNIOPYDIQTOA-SNRMKQJTSA-N 2 2 334.891 3.429 20 0 EGADLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655775305 461437351 /nfs/dbraw/zinc/43/73/51/461437351.db2.gz VRJJKJGXYOBBBJ-WMZOPIPTSA-N 2 2 332.488 3.298 20 0 EGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655775302 461438193 /nfs/dbraw/zinc/43/81/93/461438193.db2.gz VRJJKJGXYOBBBJ-AEFFLSMTSA-N 2 2 332.488 3.298 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638496199 461455944 /nfs/dbraw/zinc/45/59/44/461455944.db2.gz QBFSECSGXSGCQJ-NQIIRXRSSA-N 2 2 338.499 3.495 20 0 EGADLP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638496199 461455951 /nfs/dbraw/zinc/45/59/51/461455951.db2.gz QBFSECSGXSGCQJ-NQIIRXRSSA-N 2 2 338.499 3.495 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527350 461469273 /nfs/dbraw/zinc/46/92/73/461469273.db2.gz PQGUSWVYIHSVEJ-UYAOXDASSA-N 2 2 341.499 3.003 20 0 EGADLP O=C(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)NC1CCCC1 ZINC000638527350 461469280 /nfs/dbraw/zinc/46/92/80/461469280.db2.gz PQGUSWVYIHSVEJ-UYAOXDASSA-N 2 2 341.499 3.003 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[C@H]1[NH3+] ZINC000647011508 461482068 /nfs/dbraw/zinc/48/20/68/461482068.db2.gz GONVSBXGKVPHRV-RDTXWAMCSA-N 2 2 325.412 3.073 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000631035218 461487252 /nfs/dbraw/zinc/48/72/52/461487252.db2.gz CYRZCNQBXLSHQO-UHFFFAOYSA-N 2 2 326.868 3.320 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)c1 ZINC000631033867 461487687 /nfs/dbraw/zinc/48/76/87/461487687.db2.gz AQFAVRDZNSKIPM-UHFFFAOYSA-N 2 2 336.439 3.483 20 0 EGADLP C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072121 461488203 /nfs/dbraw/zinc/48/82/03/461488203.db2.gz DWGXSHFSXSCLDM-DOTOQJQBSA-N 2 2 345.512 3.117 20 0 EGADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)c1cc2ccccc2o1 ZINC000653078789 461490602 /nfs/dbraw/zinc/49/06/02/461490602.db2.gz JVNSDJCJWDHNDW-GDBMZVCRSA-N 2 2 331.460 3.011 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638588444 461495088 /nfs/dbraw/zinc/49/50/88/461495088.db2.gz LQCSFBUHBHHWIQ-LLVKDONJSA-N 2 2 338.249 3.022 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000638588444 461495098 /nfs/dbraw/zinc/49/50/98/461495098.db2.gz LQCSFBUHBHHWIQ-LLVKDONJSA-N 2 2 338.249 3.022 20 0 EGADLP C[C@]1(NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000650046803 461536399 /nfs/dbraw/zinc/53/63/99/461536399.db2.gz QFYIWADQLIJNBA-FQEVSTJZSA-N 2 2 349.438 3.120 20 0 EGADLP C[C@]1(NC(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000650046803 461536410 /nfs/dbraw/zinc/53/64/10/461536410.db2.gz QFYIWADQLIJNBA-FQEVSTJZSA-N 2 2 349.438 3.120 20 0 EGADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068558 461600410 /nfs/dbraw/zinc/60/04/10/461600410.db2.gz IGLFWZLYUPCQMI-GHTZIAJQSA-N 2 2 349.478 3.366 20 0 EGADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)Nc1ccccc1-c1ccccc1 ZINC000643068558 461600419 /nfs/dbraw/zinc/60/04/19/461600419.db2.gz IGLFWZLYUPCQMI-GHTZIAJQSA-N 2 2 349.478 3.366 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643067092 461601440 /nfs/dbraw/zinc/60/14/40/461601440.db2.gz XWQZJJPEELAMAY-CZUORRHYSA-N 2 2 328.378 3.158 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643067092 461601449 /nfs/dbraw/zinc/60/14/49/461601449.db2.gz XWQZJJPEELAMAY-CZUORRHYSA-N 2 2 328.378 3.158 20 0 EGADLP CCn1c[nH+]cc1CN[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000631192519 461633199 /nfs/dbraw/zinc/63/31/99/461633199.db2.gz KBUGAXVHVZGMEC-INIZCTEOSA-N 2 2 340.393 3.314 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1O ZINC000647363806 461658987 /nfs/dbraw/zinc/65/89/87/461658987.db2.gz KQZKNFDBUNUGED-CQSZACIVSA-N 2 2 325.412 3.250 20 0 EGADLP COc1cccc2c1CC[C@H]([NH2+]CCc1cn3c(cccc3C)[nH+]1)C2 ZINC000647364039 461659197 /nfs/dbraw/zinc/65/91/97/461659197.db2.gz QSMDJGJFRSVTTO-KRWDZBQOSA-N 2 2 335.451 3.341 20 0 EGADLP c1c[nH+]c2c(c1)CC[C@H](Nc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000643348299 461699813 /nfs/dbraw/zinc/69/98/13/461699813.db2.gz KWCXWWRGVQBCIZ-IBGZPJMESA-N 2 2 337.467 3.273 20 0 EGADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506861 461741496 /nfs/dbraw/zinc/74/14/96/461741496.db2.gz DTDQUHCVOSHFBT-BBRMVZONSA-N 2 2 330.394 3.076 20 0 EGADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CCO1 ZINC000647506861 461741503 /nfs/dbraw/zinc/74/15/03/461741503.db2.gz DTDQUHCVOSHFBT-BBRMVZONSA-N 2 2 330.394 3.076 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480203 461741814 /nfs/dbraw/zinc/74/18/14/461741814.db2.gz FTOPEMDQMNLFQY-DARKYYSBSA-N 3 2 327.516 3.017 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480203 461741817 /nfs/dbraw/zinc/74/18/17/461741817.db2.gz FTOPEMDQMNLFQY-DARKYYSBSA-N 3 2 327.516 3.017 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000643502037 461746616 /nfs/dbraw/zinc/74/66/16/461746616.db2.gz WKZNKRIMAQZVBL-QAPCUYQASA-N 2 2 332.492 3.353 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501647 461746969 /nfs/dbraw/zinc/74/69/69/461746969.db2.gz NCLYCIJPJNEXCO-BURNTYAHSA-N 3 2 327.516 3.019 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCCC[NH2+]4)[C@@H]3C2)cc1 ZINC000643501647 461746977 /nfs/dbraw/zinc/74/69/77/461746977.db2.gz NCLYCIJPJNEXCO-BURNTYAHSA-N 3 2 327.516 3.019 20 0 EGADLP CC(C)C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccn1 ZINC000643503984 461748540 /nfs/dbraw/zinc/74/85/40/461748540.db2.gz YEIOQKLRXFLNDL-GOSISDBHSA-N 2 2 325.460 3.086 20 0 EGADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000643538254 461759325 /nfs/dbraw/zinc/75/93/25/461759325.db2.gz CKPGYCMWGZMUFS-KCQAQPDRSA-N 2 2 327.241 3.116 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544083 461759783 /nfs/dbraw/zinc/75/97/83/461759783.db2.gz WMXCDIFKNMJSFZ-HZPDHXFCSA-N 3 2 330.501 3.145 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)c[nH+]1 ZINC000647544083 461759791 /nfs/dbraw/zinc/75/97/91/461759791.db2.gz WMXCDIFKNMJSFZ-HZPDHXFCSA-N 3 2 330.501 3.145 20 0 EGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c(SC)cc1OC ZINC000647553677 461764932 /nfs/dbraw/zinc/76/49/32/461764932.db2.gz HCLMTEMMVMSUSI-KRWDZBQOSA-N 2 2 336.501 3.190 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660422490 461768861 /nfs/dbraw/zinc/76/88/61/461768861.db2.gz GPXPJNNKYMCQIE-GOEBONIOSA-N 2 2 332.410 3.279 20 0 EGADLP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000660422490 461768865 /nfs/dbraw/zinc/76/88/65/461768865.db2.gz GPXPJNNKYMCQIE-GOEBONIOSA-N 2 2 332.410 3.279 20 0 EGADLP Fc1cccc(Cl)c1CN1CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000666769862 461794949 /nfs/dbraw/zinc/79/49/49/461794949.db2.gz GITHDQRWBXPARV-HNNXBMFYSA-N 2 2 339.886 3.175 20 0 EGADLP Fc1cccc(Cl)c1C[NH+]1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666769862 461794954 /nfs/dbraw/zinc/79/49/54/461794954.db2.gz GITHDQRWBXPARV-HNNXBMFYSA-N 2 2 339.886 3.175 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770377 461795120 /nfs/dbraw/zinc/79/51/20/461795120.db2.gz XDYJWCFLVXGOJH-QWHCGFSZSA-N 2 2 343.393 3.154 20 0 EGADLP COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660474832 461800853 /nfs/dbraw/zinc/80/08/53/461800853.db2.gz MXKFHOKKMFNRDJ-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1Cl ZINC000660474832 461800856 /nfs/dbraw/zinc/80/08/56/461800856.db2.gz MXKFHOKKMFNRDJ-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476170 461801066 /nfs/dbraw/zinc/80/10/66/461801066.db2.gz XIVHCOKTGFCZBX-UWJYYQICSA-N 2 2 328.500 3.423 20 0 EGADLP C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476170 461801073 /nfs/dbraw/zinc/80/10/73/461801073.db2.gz XIVHCOKTGFCZBX-UWJYYQICSA-N 2 2 328.500 3.423 20 0 EGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000639208493 461803322 /nfs/dbraw/zinc/80/33/22/461803322.db2.gz WJODTYCMJADZQH-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000639208493 461803316 /nfs/dbraw/zinc/80/33/16/461803316.db2.gz WJODTYCMJADZQH-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000639208493 461803327 /nfs/dbraw/zinc/80/33/27/461803327.db2.gz WJODTYCMJADZQH-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1cc(Cl)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000639208493 461803330 /nfs/dbraw/zinc/80/33/30/461803330.db2.gz WJODTYCMJADZQH-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP Cc1ccc2c(C)cc(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c2c1 ZINC000643860177 461819420 /nfs/dbraw/zinc/81/94/20/461819420.db2.gz CBCYOYZJXODUIM-CALCHBBNSA-N 2 2 327.472 3.185 20 0 EGADLP Cc1ccc2c(C)cc(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c2c1 ZINC000643860177 461819423 /nfs/dbraw/zinc/81/94/23/461819423.db2.gz CBCYOYZJXODUIM-CALCHBBNSA-N 2 2 327.472 3.185 20 0 EGADLP Cc1nc(NCC2CC[NH+](C3CC3)CC2)c(Br)c(C)[nH+]1 ZINC000663850027 461836625 /nfs/dbraw/zinc/83/66/25/461836625.db2.gz PVXYRWQSQVEWMW-UHFFFAOYSA-N 2 2 339.281 3.142 20 0 EGADLP COc1cc2cc[nH+]c(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c2cc1OC ZINC000663904693 461863631 /nfs/dbraw/zinc/86/36/31/461863631.db2.gz DSDJFRAPVKCDDF-HOCLYGCPSA-N 2 2 341.455 3.315 20 0 EGADLP CC1([NH3+])CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000647924899 461888306 /nfs/dbraw/zinc/88/83/06/461888306.db2.gz UJZXDTQASOBXEJ-SFHVURJKSA-N 2 2 341.430 3.319 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647937217 461893590 /nfs/dbraw/zinc/89/35/90/461893590.db2.gz SRYILVSXTNLBOU-INMHGKMJSA-N 2 2 343.471 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC[C@@H]1[NH3+] ZINC000647937217 461893598 /nfs/dbraw/zinc/89/35/98/461893598.db2.gz SRYILVSXTNLBOU-INMHGKMJSA-N 2 2 343.471 3.011 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647937841 461893973 /nfs/dbraw/zinc/89/39/73/461893973.db2.gz CYDUUEAYFARUBS-YLJYHZDGSA-N 2 2 343.515 3.412 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)CC[C@H]1[NH3+] ZINC000647937841 461893980 /nfs/dbraw/zinc/89/39/80/461893980.db2.gz CYDUUEAYFARUBS-YLJYHZDGSA-N 2 2 343.515 3.412 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936438 461894918 /nfs/dbraw/zinc/89/49/18/461894918.db2.gz DPEFWHCTTUGPOO-JKIFEVAISA-N 2 2 337.533 3.011 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000647936438 461894920 /nfs/dbraw/zinc/89/49/20/461894920.db2.gz DPEFWHCTTUGPOO-JKIFEVAISA-N 2 2 337.533 3.011 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC[C@H]1[NH3+] ZINC000647939838 461896265 /nfs/dbraw/zinc/89/62/65/461896265.db2.gz CJXPEYRGRUDDBN-YVWKXTFCSA-N 2 2 345.531 3.122 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC[C@H]1[NH3+] ZINC000647939838 461896270 /nfs/dbraw/zinc/89/62/70/461896270.db2.gz CJXPEYRGRUDDBN-YVWKXTFCSA-N 2 2 345.531 3.122 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641812 461897952 /nfs/dbraw/zinc/89/79/52/461897952.db2.gz KAOOIZMFFPPECT-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641812 461897960 /nfs/dbraw/zinc/89/79/60/461897960.db2.gz KAOOIZMFFPPECT-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641812 461897966 /nfs/dbraw/zinc/89/79/66/461897966.db2.gz KAOOIZMFFPPECT-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000660641812 461897974 /nfs/dbraw/zinc/89/79/74/461897974.db2.gz KAOOIZMFFPPECT-QGZVFWFLSA-N 2 2 326.456 3.475 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000656790486 461901474 /nfs/dbraw/zinc/90/14/74/461901474.db2.gz VCPPXBTXPBLBMH-WOJBJXKFSA-N 2 2 341.430 3.019 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653956 461903982 /nfs/dbraw/zinc/90/39/82/461903982.db2.gz DVJWJLUSVQAFBB-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000660653956 461903989 /nfs/dbraw/zinc/90/39/89/461903989.db2.gz DVJWJLUSVQAFBB-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000660653956 461903996 /nfs/dbraw/zinc/90/39/96/461903996.db2.gz DVJWJLUSVQAFBB-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP CCC[C@@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000660653956 461904002 /nfs/dbraw/zinc/90/40/02/461904002.db2.gz DVJWJLUSVQAFBB-TZIWHRDSSA-N 2 2 343.515 3.062 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000650718139 461910011 /nfs/dbraw/zinc/91/00/11/461910011.db2.gz ZMHVQFDVJNGWQS-OXJNMPFZSA-N 3 2 341.474 3.427 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)CC[N@H+]1Cc1ccccc1 ZINC000650718139 461910014 /nfs/dbraw/zinc/91/00/14/461910014.db2.gz ZMHVQFDVJNGWQS-OXJNMPFZSA-N 3 2 341.474 3.427 20 0 EGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661297 461911205 /nfs/dbraw/zinc/91/12/05/461911205.db2.gz CECXHMNAMWVBMV-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661297 461911208 /nfs/dbraw/zinc/91/12/08/461911208.db2.gz CECXHMNAMWVBMV-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661297 461911210 /nfs/dbraw/zinc/91/12/10/461911210.db2.gz CECXHMNAMWVBMV-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3ncco3)cc1F)C2 ZINC000660661297 461911213 /nfs/dbraw/zinc/91/12/13/461911213.db2.gz CECXHMNAMWVBMV-IBGZPJMESA-N 2 2 329.419 3.398 20 0 EGADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674039 461919056 /nfs/dbraw/zinc/91/90/56/461919056.db2.gz KYTUWFCBBDEWSU-GOSISDBHSA-N 2 2 343.515 3.032 20 0 EGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000644537211 461975514 /nfs/dbraw/zinc/97/55/14/461975514.db2.gz SXNROWBBROTHOY-VDGAXYAQSA-N 2 2 332.463 3.367 20 0 EGADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000644537211 461975519 /nfs/dbraw/zinc/97/55/19/461975519.db2.gz SXNROWBBROTHOY-VDGAXYAQSA-N 2 2 332.463 3.367 20 0 EGADLP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182693 461983651 /nfs/dbraw/zinc/98/36/51/461983651.db2.gz LVPCKZVBABFSJX-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182693 461983655 /nfs/dbraw/zinc/98/36/55/461983655.db2.gz LVPCKZVBABFSJX-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182693 461983656 /nfs/dbraw/zinc/98/36/56/461983656.db2.gz LVPCKZVBABFSJX-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP C[NH+]1CCC[C@@H](CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000657182693 461983660 /nfs/dbraw/zinc/98/36/60/461983660.db2.gz LVPCKZVBABFSJX-PMACEKPBSA-N 3 2 329.532 3.361 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3nccnc3C)C2)s1 ZINC000639632585 462029788 /nfs/dbraw/zinc/02/97/88/462029788.db2.gz DIVPPJPRMJLGMY-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3nccnc3C)C2)s1 ZINC000639632585 462029792 /nfs/dbraw/zinc/02/97/92/462029792.db2.gz DIVPPJPRMJLGMY-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3nccnc3C)C2)s1 ZINC000639632585 462029796 /nfs/dbraw/zinc/02/97/96/462029796.db2.gz DIVPPJPRMJLGMY-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3nccnc3C)C2)s1 ZINC000639632585 462029801 /nfs/dbraw/zinc/02/98/01/462029801.db2.gz DIVPPJPRMJLGMY-MRXNPFEDSA-N 2 2 330.501 3.109 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc2c1CCOC2 ZINC000639643361 462035075 /nfs/dbraw/zinc/03/50/75/462035075.db2.gz BRBDKFZOKLJBID-UHFFFAOYSA-N 2 2 328.456 3.306 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc2c1CCOC2 ZINC000639643361 462035082 /nfs/dbraw/zinc/03/50/82/462035082.db2.gz BRBDKFZOKLJBID-UHFFFAOYSA-N 2 2 328.456 3.306 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1cccc2c1CCOC2)Cc1ccco1 ZINC000639643361 462035085 /nfs/dbraw/zinc/03/50/85/462035085.db2.gz BRBDKFZOKLJBID-UHFFFAOYSA-N 2 2 328.456 3.306 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1cccc2c1CCOC2)Cc1ccco1 ZINC000639643361 462035091 /nfs/dbraw/zinc/03/50/91/462035091.db2.gz BRBDKFZOKLJBID-UHFFFAOYSA-N 2 2 328.456 3.306 20 0 EGADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657336438 462053743 /nfs/dbraw/zinc/05/37/43/462053743.db2.gz QUHWOTZBIYJAQR-UHFFFAOYSA-N 2 2 344.425 3.183 20 0 EGADLP Cc1nc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000639724639 462077219 /nfs/dbraw/zinc/07/72/19/462077219.db2.gz BTDFSLZJACCXOS-UHFFFAOYSA-N 2 2 340.471 3.256 20 0 EGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)CCCO1 ZINC000657449402 462131634 /nfs/dbraw/zinc/13/16/34/462131634.db2.gz XCZYYGWZOGLYJN-ZDUSSCGKSA-N 2 2 346.393 3.018 20 0 EGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)ccc2OC(F)F)CCCO1 ZINC000657449402 462131641 /nfs/dbraw/zinc/13/16/41/462131641.db2.gz XCZYYGWZOGLYJN-ZDUSSCGKSA-N 2 2 346.393 3.018 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)n1C ZINC000657464355 462139940 /nfs/dbraw/zinc/13/99/40/462139940.db2.gz MIWXJKDHDFZFLG-HNNXBMFYSA-N 2 2 328.243 3.249 20 0 EGADLP CC(C)Oc1ccc([C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)N(C)C)cc1 ZINC000657467867 462142636 /nfs/dbraw/zinc/14/26/36/462142636.db2.gz YLTKXNOEHUPQSU-LJQANCHMSA-N 2 2 342.487 3.009 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657507015 462161342 /nfs/dbraw/zinc/16/13/42/462161342.db2.gz ZIZKLMWWHWTTAB-PWIZWCRZSA-N 2 2 332.488 3.207 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000657507015 462161348 /nfs/dbraw/zinc/16/13/48/462161348.db2.gz ZIZKLMWWHWTTAB-PWIZWCRZSA-N 2 2 332.488 3.207 20 0 EGADLP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000667621019 462177421 /nfs/dbraw/zinc/17/74/21/462177421.db2.gz XKUNLDHBGVMVAQ-KRWDZBQOSA-N 2 2 325.456 3.293 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620894 462177621 /nfs/dbraw/zinc/17/76/21/462177621.db2.gz UCHRQOQYRWXFGZ-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C2CC2)c1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620894 462177629 /nfs/dbraw/zinc/17/76/29/462177629.db2.gz UCHRQOQYRWXFGZ-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620894 462177636 /nfs/dbraw/zinc/17/76/36/462177636.db2.gz UCHRQOQYRWXFGZ-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP Cn1ncc(C2CC2)c1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620894 462177642 /nfs/dbraw/zinc/17/76/42/462177642.db2.gz UCHRQOQYRWXFGZ-GOSISDBHSA-N 2 2 338.499 3.251 20 0 EGADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](Cc4ccccn4)CC3)c2c1C ZINC000645127916 462191691 /nfs/dbraw/zinc/19/16/91/462191691.db2.gz FXSIXEXAWOIDIZ-UHFFFAOYSA-N 2 2 336.443 3.046 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000645156231 462206663 /nfs/dbraw/zinc/20/66/63/462206663.db2.gz DLOOECFTTKCOTA-QRWLVFNGSA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(F)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000645156231 462206668 /nfs/dbraw/zinc/20/66/68/462206668.db2.gz DLOOECFTTKCOTA-QRWLVFNGSA-N 2 2 343.446 3.230 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)on2)cc1 ZINC000657635557 462212543 /nfs/dbraw/zinc/21/25/43/462212543.db2.gz UOSATUHVLLPYSM-JKSUJKDBSA-N 2 2 327.428 3.067 20 0 EGADLP COc1ccc(-c2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)on2)cc1 ZINC000657635557 462212548 /nfs/dbraw/zinc/21/25/48/462212548.db2.gz UOSATUHVLLPYSM-JKSUJKDBSA-N 2 2 327.428 3.067 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657675780 462226189 /nfs/dbraw/zinc/22/61/89/462226189.db2.gz ZOFQCVBLSRCWGH-WMZOPIPTSA-N 2 2 329.488 3.400 20 0 EGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657675780 462226194 /nfs/dbraw/zinc/22/61/94/462226194.db2.gz ZOFQCVBLSRCWGH-WMZOPIPTSA-N 2 2 329.488 3.400 20 0 EGADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000657689427 462232031 /nfs/dbraw/zinc/23/20/31/462232031.db2.gz XLJOHVUUGXMFAB-AZUAARDMSA-N 2 2 335.455 3.107 20 0 EGADLP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752866 462252079 /nfs/dbraw/zinc/25/20/79/462252079.db2.gz SYERQVICWLAGDI-MRXNPFEDSA-N 2 2 338.879 3.082 20 0 EGADLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000657802972 462275365 /nfs/dbraw/zinc/27/53/65/462275365.db2.gz GWXWZXLMGUGHJH-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP COC1([C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCC1 ZINC000657887158 462308195 /nfs/dbraw/zinc/30/81/95/462308195.db2.gz HOUKWJGQVLIAAS-QZTJIDSGSA-N 2 2 346.515 3.434 20 0 EGADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1c1c[nH+]cn1CC ZINC000648906547 462325388 /nfs/dbraw/zinc/32/53/88/462325388.db2.gz ABCKOQJRELUCIL-CVEARBPZSA-N 2 2 343.475 3.367 20 0 EGADLP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccnc3N3CCCC3)CC[NH2+]2)cc1 ZINC000665236109 462363521 /nfs/dbraw/zinc/36/35/21/462363521.db2.gz HMSRBBNLVRJYPH-PMACEKPBSA-N 2 2 336.483 3.265 20 0 EGADLP CC[NH+]1CCN(c2cccc(NCc3[nH+]ccn3C(C)C)c2)CC1 ZINC000667998394 462367979 /nfs/dbraw/zinc/36/79/79/462367979.db2.gz ZNWINKAHULZULA-UHFFFAOYSA-N 2 2 327.476 3.218 20 0 EGADLP Cc1cn2ccc(NC(=O)N3CCCC[C@H]3[C@@H](C)C[NH+](C)C)cc2[nH+]1 ZINC000640372292 462377291 /nfs/dbraw/zinc/37/72/91/462377291.db2.gz GUCZVTDHZLJJKO-YOEHRIQHSA-N 2 2 343.475 3.227 20 0 EGADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000640533515 462432119 /nfs/dbraw/zinc/43/21/19/462432119.db2.gz UEJMEUWYMMOANF-UHFFFAOYSA-N 2 2 331.508 3.188 20 0 EGADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000640533515 462432124 /nfs/dbraw/zinc/43/21/24/462432124.db2.gz UEJMEUWYMMOANF-UHFFFAOYSA-N 2 2 331.508 3.188 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134288 462444886 /nfs/dbraw/zinc/44/48/86/462444886.db2.gz ORDVIGMXYBPRIE-HZPDHXFCSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cc(OC)c(OC)c(OC)c1 ZINC000652134288 462444889 /nfs/dbraw/zinc/44/48/89/462444889.db2.gz ORDVIGMXYBPRIE-HZPDHXFCSA-N 2 2 336.476 3.237 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(OC)c(OC)c(OC)c1 ZINC000652139739 462447653 /nfs/dbraw/zinc/44/76/53/462447653.db2.gz SUSMEORWOFDYSR-UKRRQHHQSA-N 2 2 333.432 3.038 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000658294589 462459842 /nfs/dbraw/zinc/45/98/42/462459842.db2.gz NTMBVRIVOWRGNN-CRAIPNDOSA-N 2 2 325.456 3.139 20 0 EGADLP Cc1c[nH+]ccc1CC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000645896935 462460556 /nfs/dbraw/zinc/46/05/56/462460556.db2.gz LCZQKDQWZYTTOV-UHFFFAOYSA-N 2 2 332.451 3.467 20 0 EGADLP Cc1c[nH+]ccc1CC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000645896935 462460562 /nfs/dbraw/zinc/46/05/62/462460562.db2.gz LCZQKDQWZYTTOV-UHFFFAOYSA-N 2 2 332.451 3.467 20 0 EGADLP Cc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658296662 462462542 /nfs/dbraw/zinc/46/25/42/462462542.db2.gz UUMIFCYSUOWZRZ-SFTDATJTSA-N 2 2 328.500 3.159 20 0 EGADLP Cc1[nH+]c2cc(CNC(=O)CC3CC[NH+](C)CC3)ccc2n1C1CC1 ZINC000655063653 462469225 /nfs/dbraw/zinc/46/92/25/462469225.db2.gz NJRDGDGBRXIZHM-UHFFFAOYSA-N 2 2 340.471 3.028 20 0 EGADLP CCCCc1[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)cc2[nH+]1 ZINC000649297595 462470848 /nfs/dbraw/zinc/47/08/48/462470848.db2.gz GAWDJEAKINMZQA-JKSUJKDBSA-N 2 2 340.471 3.480 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC000649301538 462472506 /nfs/dbraw/zinc/47/25/06/462472506.db2.gz YIQXKVMOXLJPPR-MOPGFXCFSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC000649301538 462472513 /nfs/dbraw/zinc/47/25/13/462472513.db2.gz YIQXKVMOXLJPPR-MOPGFXCFSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H]3CCCCN3C(C)C)C2)c1 ZINC000649301538 462472519 /nfs/dbraw/zinc/47/25/19/462472519.db2.gz YIQXKVMOXLJPPR-MOPGFXCFSA-N 2 2 330.520 3.387 20 0 EGADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H]3CCCCN3C(C)C)C2)c1 ZINC000649301538 462472525 /nfs/dbraw/zinc/47/25/25/462472525.db2.gz YIQXKVMOXLJPPR-MOPGFXCFSA-N 2 2 330.520 3.387 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@@H]1[NH3+] ZINC000649416731 462502986 /nfs/dbraw/zinc/50/29/86/462502986.db2.gz KAKZRUFPCUHEJI-CJNGLKHVSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3OC)n2)CC[C@@H]1[NH3+] ZINC000649416731 462502991 /nfs/dbraw/zinc/50/29/91/462502991.db2.gz KAKZRUFPCUHEJI-CJNGLKHVSA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@H]1[NH3+] ZINC000649416473 462503555 /nfs/dbraw/zinc/50/35/55/462503555.db2.gz BIIAORVBBNWNHI-CXAGYDPISA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)CC[C@H]1[NH3+] ZINC000649416473 462503556 /nfs/dbraw/zinc/50/35/56/462503556.db2.gz BIIAORVBBNWNHI-CXAGYDPISA-N 2 2 331.485 3.378 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462754 478393088 /nfs/dbraw/zinc/39/30/88/478393088.db2.gz DSMMIBPGCDIAAQ-AEFFLSMTSA-N 2 2 340.471 3.301 20 0 EGADLP CC(C)c1nc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000525462754 478393093 /nfs/dbraw/zinc/39/30/93/478393093.db2.gz DSMMIBPGCDIAAQ-AEFFLSMTSA-N 2 2 340.471 3.301 20 0 EGADLP CCc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)nc[nH+]1 ZINC000603380276 479364925 /nfs/dbraw/zinc/36/49/25/479364925.db2.gz GQVZNVNLCCEXAP-HZPDHXFCSA-N 2 2 340.471 3.260 20 0 EGADLP Fc1cccc(C2([NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)c1 ZINC000182219952 534516619 /nfs/dbraw/zinc/51/66/19/534516619.db2.gz PRLCPDLYVDLORY-UHFFFAOYSA-N 2 2 325.431 3.464 20 0 EGADLP c1[nH]cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH+]1 ZINC000167043610 534542544 /nfs/dbraw/zinc/54/25/44/534542544.db2.gz VMVXJCYNZRSRCV-UHFFFAOYSA-N 2 2 332.451 3.317 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCCNc2cccc[nH+]2)C1 ZINC000195220463 534855351 /nfs/dbraw/zinc/85/53/51/534855351.db2.gz WEVRXYSRIMLMIE-IBGZPJMESA-N 2 2 348.491 3.120 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000131820251 526421832 /nfs/dbraw/zinc/42/18/32/526421832.db2.gz LCXAWSWIJAZHHE-AWEZNQCLSA-N 2 2 344.459 3.095 20 0 EGADLP CC1(C)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]2CCCO[C@@H]21 ZINC000174538855 527872013 /nfs/dbraw/zinc/87/20/13/527872013.db2.gz XXFMERYDRRBIFP-OLMNPRSZSA-N 2 2 329.419 3.305 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000132895359 528987379 /nfs/dbraw/zinc/98/73/79/528987379.db2.gz VWLIYLSSTKGRJF-UHFFFAOYSA-N 2 2 342.439 3.307 20 0 EGADLP CC(C)[NH+]1CCC([NH2+]Cc2nccn2CCc2ccccc2)CC1 ZINC000164309615 529002228 /nfs/dbraw/zinc/00/22/28/529002228.db2.gz JDFGQMUQMGAKEW-UHFFFAOYSA-N 2 2 326.488 3.088 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000185226899 534930347 /nfs/dbraw/zinc/93/03/47/534930347.db2.gz IMMVBWBXCQHIHQ-FFGOWVMKSA-N 2 2 345.531 3.474 20 0 EGADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1(C)C ZINC000185226899 534930355 /nfs/dbraw/zinc/93/03/55/534930355.db2.gz IMMVBWBXCQHIHQ-FFGOWVMKSA-N 2 2 345.531 3.474 20 0 EGADLP CCC(CC)[C@H](C[NH2+]CCCc1c[nH+]ccc1C)N1CCOCC1 ZINC000347928365 535145300 /nfs/dbraw/zinc/14/53/00/535145300.db2.gz VYMDIHLPQVRPTG-FQEVSTJZSA-N 2 2 333.520 3.049 20 0 EGADLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cn1 ZINC000352971302 535809863 /nfs/dbraw/zinc/80/98/63/535809863.db2.gz BUYVWRJZPXKKMN-IAGOWNOFSA-N 2 2 343.450 3.319 20 0 EGADLP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025356136 546526891 /nfs/dbraw/zinc/52/68/91/546526891.db2.gz DAYZZSAXJYINHB-HNNXBMFYSA-N 2 2 335.407 3.494 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000090418968 546656966 /nfs/dbraw/zinc/65/69/66/546656966.db2.gz BJKLCEXFBCIIAI-OAHLLOKOSA-N 2 2 337.533 3.385 20 0 EGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000125041541 546749248 /nfs/dbraw/zinc/74/92/48/546749248.db2.gz SFCXUPMKJFEPSB-WIYYLYMNSA-N 3 2 329.532 3.452 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134924610 546830872 /nfs/dbraw/zinc/83/08/72/546830872.db2.gz XNXJQVKCOYGOBY-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134924610 546830877 /nfs/dbraw/zinc/83/08/77/546830877.db2.gz XNXJQVKCOYGOBY-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP Cc1cc(C)cc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134924610 546830882 /nfs/dbraw/zinc/83/08/82/546830882.db2.gz XNXJQVKCOYGOBY-YLJYHZDGSA-N 2 2 341.499 3.191 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)CC1 ZINC000162759926 546967838 /nfs/dbraw/zinc/96/78/38/546967838.db2.gz ZWHNTXKZLZYMKO-QGZVFWFLSA-N 2 2 343.475 3.293 20 0 EGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840596 547189284 /nfs/dbraw/zinc/18/92/84/547189284.db2.gz LQYWCIFWCNSNRM-RXVVDRJESA-N 2 2 342.483 3.481 20 0 EGADLP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840596 547189287 /nfs/dbraw/zinc/18/92/87/547189287.db2.gz LQYWCIFWCNSNRM-RXVVDRJESA-N 2 2 342.483 3.481 20 0 EGADLP Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000285946158 547390506 /nfs/dbraw/zinc/39/05/06/547390506.db2.gz DSRYLPIRFZKSTR-OAHLLOKOSA-N 2 2 341.459 3.316 20 0 EGADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000341684566 547589054 /nfs/dbraw/zinc/58/90/54/547589054.db2.gz OYDPXLFOMRNDBE-IWFBPKFRSA-N 2 2 348.531 3.142 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494945140 547993992 /nfs/dbraw/zinc/99/39/92/547993992.db2.gz FJUKJPFGVQHOTQ-IYBDPMFKSA-N 2 2 348.560 3.011 20 0 EGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494945140 547993998 /nfs/dbraw/zinc/99/39/98/547993998.db2.gz FJUKJPFGVQHOTQ-IYBDPMFKSA-N 2 2 348.560 3.011 20 0 EGADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000675754787 548975503 /nfs/dbraw/zinc/97/55/03/548975503.db2.gz YBKNUOZJVRXVSP-OXJNMPFZSA-N 2 2 341.499 3.412 20 0 EGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000676236088 549058450 /nfs/dbraw/zinc/05/84/50/549058450.db2.gz VHSOEHYYTOGEBD-AZUAARDMSA-N 2 2 326.484 3.463 20 0 EGADLP c1c2c(cc3c1OCCC[C@H]3[NH2+][C@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000676236088 549058456 /nfs/dbraw/zinc/05/84/56/549058456.db2.gz VHSOEHYYTOGEBD-AZUAARDMSA-N 2 2 326.484 3.463 20 0 EGADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000676478139 549094893 /nfs/dbraw/zinc/09/48/93/549094893.db2.gz MIFZVKUMDIJDHZ-ZCYBBYNQSA-N 2 2 327.472 3.306 20 0 EGADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000676478139 549094898 /nfs/dbraw/zinc/09/48/98/549094898.db2.gz MIFZVKUMDIJDHZ-ZCYBBYNQSA-N 2 2 327.472 3.306 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839191 549164420 /nfs/dbraw/zinc/16/44/20/549164420.db2.gz JTCKVLPBWMLDQA-AUUYWEPGSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000676839191 549164423 /nfs/dbraw/zinc/16/44/23/549164423.db2.gz JTCKVLPBWMLDQA-AUUYWEPGSA-N 2 2 345.512 3.048 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC(Cc4ccccc4)C3)c2cc1C ZINC000677716953 549316173 /nfs/dbraw/zinc/31/61/73/549316173.db2.gz JONVJSKNUNKZFJ-FQEVSTJZSA-N 2 2 349.478 3.189 20 0 EGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000678770555 549557987 /nfs/dbraw/zinc/55/79/87/549557987.db2.gz HEYRUHNPDIYLJV-NQIIRXRSSA-N 2 2 326.484 3.447 20 0 EGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000678770555 549557990 /nfs/dbraw/zinc/55/79/90/549557990.db2.gz HEYRUHNPDIYLJV-NQIIRXRSSA-N 2 2 326.484 3.447 20 0 EGADLP CCC[NH+]1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000678774513 549559104 /nfs/dbraw/zinc/55/91/04/549559104.db2.gz KEWXHCHPNFNRCK-QGZVFWFLSA-N 3 2 330.520 3.071 20 0 EGADLP Cc1cc(N2CCC(Nc3cc[nH+]c4c(O)cccc34)CC2)nc(C)[nH+]1 ZINC000684575311 550344973 /nfs/dbraw/zinc/34/49/73/550344973.db2.gz CUSQCOZIEVGXDD-UHFFFAOYSA-N 2 2 349.438 3.428 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4cccnc43)[nH+]c2)C1 ZINC000684962100 550389311 /nfs/dbraw/zinc/38/93/11/550389311.db2.gz XIZYRRLEKLRISV-ROUUACIJSA-N 2 2 337.471 3.106 20 0 EGADLP Cn1cc(C[N@H+](C)CCC[NH+](C)C)c(-c2cc3ccccc3o2)n1 ZINC000685452381 550417907 /nfs/dbraw/zinc/41/79/07/550417907.db2.gz VRIZIPYBEXSJSD-UHFFFAOYSA-N 2 2 326.444 3.217 20 0 EGADLP Cn1cc(C[N@@H+](C)CCC[NH+](C)C)c(-c2cc3ccccc3o2)n1 ZINC000685452381 550417909 /nfs/dbraw/zinc/41/79/09/550417909.db2.gz VRIZIPYBEXSJSD-UHFFFAOYSA-N 2 2 326.444 3.217 20 0 EGADLP C[NH+](C)CCN(Cc1c[nH+]c2ccccn12)Cc1cccc(F)c1 ZINC000685455593 550418456 /nfs/dbraw/zinc/41/84/56/550418456.db2.gz GWDNAMMAKYAAFE-UHFFFAOYSA-N 2 2 326.419 3.037 20 0 EGADLP CN(Cc1cc(F)cc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457247 550418800 /nfs/dbraw/zinc/41/88/00/550418800.db2.gz OJZGWIPJXLTPRE-SFHVURJKSA-N 2 2 339.886 3.079 20 0 EGADLP CN(Cc1cc(F)cc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457247 550418801 /nfs/dbraw/zinc/41/88/01/550418801.db2.gz OJZGWIPJXLTPRE-SFHVURJKSA-N 2 2 339.886 3.079 20 0 EGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470714 550420968 /nfs/dbraw/zinc/42/09/68/550420968.db2.gz KZMJEGIVSIXNND-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470714 550420970 /nfs/dbraw/zinc/42/09/70/550420970.db2.gz KZMJEGIVSIXNND-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470714 550420972 /nfs/dbraw/zinc/42/09/72/550420972.db2.gz KZMJEGIVSIXNND-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000685470714 550420973 /nfs/dbraw/zinc/42/09/73/550420973.db2.gz KZMJEGIVSIXNND-APWZRJJASA-N 2 2 344.890 3.442 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+](Cn2nc3ccccn3c2=S)CC1 ZINC000738067777 574624061 /nfs/dbraw/zinc/62/40/61/574624061.db2.gz RPCXXMPJAKSWAB-UHFFFAOYSA-N 2 2 347.532 3.267 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2nc3ccccn3c2=S)CC1 ZINC000738067777 574624062 /nfs/dbraw/zinc/62/40/62/574624062.db2.gz RPCXXMPJAKSWAB-UHFFFAOYSA-N 2 2 347.532 3.267 20 0 EGADLP CCCCCC[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000729582581 574871748 /nfs/dbraw/zinc/87/17/48/574871748.db2.gz IVBXGKIRSKMOEO-KRWDZBQOSA-N 2 2 340.556 3.013 20 0 EGADLP CCCCCC[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000729582581 574871751 /nfs/dbraw/zinc/87/17/51/574871751.db2.gz IVBXGKIRSKMOEO-KRWDZBQOSA-N 2 2 340.556 3.013 20 0 EGADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000729679850 574877745 /nfs/dbraw/zinc/87/77/45/574877745.db2.gz RIVNKWLNZHBUAB-UHFFFAOYSA-N 2 2 349.482 3.397 20 0 EGADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000729679850 574877747 /nfs/dbraw/zinc/87/77/47/574877747.db2.gz RIVNKWLNZHBUAB-UHFFFAOYSA-N 2 2 349.482 3.397 20 0 EGADLP C[C@H](CNc1nc(N2CCCC2)cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000733190206 575318941 /nfs/dbraw/zinc/31/89/41/575318941.db2.gz AJHFWGXDRJDPLK-MRXNPFEDSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@H](CNc1nc(N2CCCC2)cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000733190206 575318942 /nfs/dbraw/zinc/31/89/42/575318942.db2.gz AJHFWGXDRJDPLK-MRXNPFEDSA-N 2 2 325.460 3.009 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000734509876 575504942 /nfs/dbraw/zinc/50/49/42/575504942.db2.gz NDDHVBMLULYJBW-HIFRSBDPSA-N 2 2 348.393 3.178 20 0 EGADLP Fc1cccc(F)c1-c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000734509876 575504946 /nfs/dbraw/zinc/50/49/46/575504946.db2.gz NDDHVBMLULYJBW-HIFRSBDPSA-N 2 2 348.393 3.178 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742374674 576775510 /nfs/dbraw/zinc/77/55/10/576775510.db2.gz BVVMILQKNDCOMN-HIFRSBDPSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742374674 576775511 /nfs/dbraw/zinc/77/55/11/576775511.db2.gz BVVMILQKNDCOMN-HIFRSBDPSA-N 2 2 332.879 3.406 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855654 576817105 /nfs/dbraw/zinc/81/71/05/576817105.db2.gz VJIMICBXJLCHQL-ICSRJNTNSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@H]([N@@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cc1 ZINC000743855654 576817106 /nfs/dbraw/zinc/81/71/06/576817106.db2.gz VJIMICBXJLCHQL-ICSRJNTNSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@H]([NH+](C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)cc1 ZINC000743855654 576817107 /nfs/dbraw/zinc/81/71/07/576817107.db2.gz VJIMICBXJLCHQL-ICSRJNTNSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1ccc(N2CCC[C@H]([NH+](C)CC[C@@H]3CCCC[N@H+]3C)C2=O)cc1 ZINC000743855654 576817108 /nfs/dbraw/zinc/81/71/08/576817108.db2.gz VJIMICBXJLCHQL-ICSRJNTNSA-N 2 2 343.515 3.297 20 0 EGADLP Cc1cc[nH+]c(NCCCCCCC[NH+]2CCCC2)c1-c1nn[nH]n1 ZINC000826313449 609540631 /nfs/dbraw/zinc/54/06/31/609540631.db2.gz HDWYHOGHAVOMHE-UHFFFAOYSA-N 2 2 343.479 3.028 20 0 EGADLP CCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)ccc1OC(F)F ZINC000062254728 1291984599 /nfs/dbraw/zinc/98/45/99/1291984599.db2.gz QYECEJUQZOMPIO-ZDUSSCGKSA-N 2 2 339.386 3.309 20 0 EGADLP CCOc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000069747514 1292249418 /nfs/dbraw/zinc/24/94/18/1292249418.db2.gz UCNBJPMBZZWTEL-UHFFFAOYSA-N 2 2 340.467 3.207 20 0 EGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000077402155 1292462530 /nfs/dbraw/zinc/46/25/30/1292462530.db2.gz SXEAGPVTALSUSP-GOSISDBHSA-N 2 2 341.434 3.412 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000829140443 1292547500 /nfs/dbraw/zinc/54/75/00/1292547500.db2.gz QIQXZWMQSIKFEQ-VNQPRFMTSA-N 2 2 342.314 3.466 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000829140443 1292547510 /nfs/dbraw/zinc/54/75/10/1292547510.db2.gz QIQXZWMQSIKFEQ-VNQPRFMTSA-N 2 2 342.314 3.466 20 0 EGADLP C[S@](=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000080344047 1292596655 /nfs/dbraw/zinc/59/66/55/1292596655.db2.gz DCKJJKPGBNNEOC-XMMPIXPASA-N 2 2 343.427 3.039 20 0 EGADLP Fc1ccc(-n2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cn2)cc1 ZINC000102938891 1292987434 /nfs/dbraw/zinc/98/74/34/1292987434.db2.gz DFOUPTGXNBJZQV-UHFFFAOYSA-N 2 2 347.397 3.487 20 0 EGADLP c1cn(-c2ccc(C[NH2+]Cc3ccnc(OCC4CC4)c3)cc2)c[nH+]1 ZINC000109077382 1293086607 /nfs/dbraw/zinc/08/66/07/1293086607.db2.gz FUIIOCJFYXWQAH-UHFFFAOYSA-N 2 2 334.423 3.346 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)C12CCC2 ZINC000834606428 1293121830 /nfs/dbraw/zinc/12/18/30/1293121830.db2.gz HXVUFBYRIMEWPT-OKZBNKHCSA-N 2 2 325.456 3.251 20 0 EGADLP C[C@H]1CC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000119442799 1293271504 /nfs/dbraw/zinc/27/15/04/1293271504.db2.gz LCKZVEHEBNBRHH-HOTGVXAUSA-N 2 2 331.504 3.267 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cnn(C)c1 ZINC000122324817 1293408095 /nfs/dbraw/zinc/40/80/95/1293408095.db2.gz UETDRHPBPMZSOS-FQEVSTJZSA-N 2 2 341.503 3.196 20 0 EGADLP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)n1cc[nH+]c1 ZINC000143275690 1293863315 /nfs/dbraw/zinc/86/33/15/1293863315.db2.gz YSKBQQLXZWGZQS-QGZVFWFLSA-N 2 2 340.471 3.137 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161213573 1294286896 /nfs/dbraw/zinc/28/68/96/1294286896.db2.gz SYBHZMRITKFNBP-IBGZPJMESA-N 2 2 346.475 3.028 20 0 EGADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161213573 1294286901 /nfs/dbraw/zinc/28/69/01/1294286901.db2.gz SYBHZMRITKFNBP-IBGZPJMESA-N 2 2 346.475 3.028 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(N(C)C)[nH+]1 ZINC000162080548 1294306421 /nfs/dbraw/zinc/30/64/21/1294306421.db2.gz XXAQGKBNKUAOEG-INIZCTEOSA-N 2 2 347.507 3.232 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(N(C)C)[nH+]1 ZINC000162080548 1294306425 /nfs/dbraw/zinc/30/64/25/1294306425.db2.gz XXAQGKBNKUAOEG-INIZCTEOSA-N 2 2 347.507 3.232 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000162365392 1294313777 /nfs/dbraw/zinc/31/37/77/1294313777.db2.gz DGOISAGCKNFOPK-OAHLLOKOSA-N 2 2 347.507 3.090 20 0 EGADLP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000162365392 1294313785 /nfs/dbraw/zinc/31/37/85/1294313785.db2.gz DGOISAGCKNFOPK-OAHLLOKOSA-N 2 2 347.507 3.090 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCOCC3CC3)CC2)cc1 ZINC000162878852 1294323867 /nfs/dbraw/zinc/32/38/67/1294323867.db2.gz SGDTUEONELWNCR-UHFFFAOYSA-N 2 2 331.504 3.128 20 0 EGADLP C[C@@H](CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH2+]CC1 ZINC000163543686 1294335228 /nfs/dbraw/zinc/33/52/28/1294335228.db2.gz NTHQXLISNGOMPG-HOTGVXAUSA-N 2 2 340.471 3.075 20 0 EGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(O)ccc1F ZINC000872058481 1296705638 /nfs/dbraw/zinc/70/56/38/1296705638.db2.gz VIIGFWIEKSZFDC-ZFWWWQNUSA-N 2 2 344.434 3.240 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303032169 1296813080 /nfs/dbraw/zinc/81/30/80/1296813080.db2.gz ALWSYLWFDLELDQ-LIRRHRJNSA-N 2 2 325.387 3.396 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000309947551 1297079935 /nfs/dbraw/zinc/07/99/35/1297079935.db2.gz RBCXULNEECXAHD-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000309947551 1297079949 /nfs/dbraw/zinc/07/99/49/1297079949.db2.gz RBCXULNEECXAHD-BRWVUGGUSA-N 2 2 339.524 3.238 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000873060978 1297254120 /nfs/dbraw/zinc/25/41/20/1297254120.db2.gz OIMQFTXRUFFNBE-RYUDHWBXSA-N 2 2 329.257 3.469 20 0 EGADLP Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000873060978 1297254126 /nfs/dbraw/zinc/25/41/26/1297254126.db2.gz OIMQFTXRUFFNBE-RYUDHWBXSA-N 2 2 329.257 3.469 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000693878788 1298153166 /nfs/dbraw/zinc/15/31/66/1298153166.db2.gz PAKZYYAZIDAUMR-XHSDSOJGSA-N 2 2 339.524 3.285 20 0 EGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000693878788 1298153171 /nfs/dbraw/zinc/15/31/71/1298153171.db2.gz PAKZYYAZIDAUMR-XHSDSOJGSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076201 1299147806 /nfs/dbraw/zinc/14/78/06/1299147806.db2.gz NVIUZMGWGMZCFH-GOEBONIOSA-N 2 2 330.863 3.273 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076201 1299147808 /nfs/dbraw/zinc/14/78/08/1299147808.db2.gz NVIUZMGWGMZCFH-GOEBONIOSA-N 2 2 330.863 3.273 20 0 EGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(Cl)nn1 ZINC000877087493 1299152207 /nfs/dbraw/zinc/15/22/07/1299152207.db2.gz ZEOOJVHQUCCZJI-GJZGRUSLSA-N 2 2 344.890 3.376 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000877570018 1299405873 /nfs/dbraw/zinc/40/58/73/1299405873.db2.gz DMAKTRFLHIWJHP-MWDXBVQZSA-N 2 2 339.524 3.094 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743340 1299520184 /nfs/dbraw/zinc/52/01/84/1299520184.db2.gz JUZDAGKPUQABFV-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)ccc1OC(F)F ZINC000877743340 1299520190 /nfs/dbraw/zinc/52/01/90/1299520190.db2.gz JUZDAGKPUQABFV-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1OC(F)F ZINC000877743340 1299520198 /nfs/dbraw/zinc/52/01/98/1299520198.db2.gz JUZDAGKPUQABFV-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccc1OC(F)F ZINC000877743340 1299520204 /nfs/dbraw/zinc/52/02/04/1299520204.db2.gz JUZDAGKPUQABFV-HUUCEWRRSA-N 2 2 340.414 3.213 20 0 EGADLP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000759135595 1301023239 /nfs/dbraw/zinc/02/32/39/1301023239.db2.gz NGJOHOMVQHZKAM-HUUCEWRRSA-N 2 2 327.513 3.142 20 0 EGADLP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000759135595 1301023253 /nfs/dbraw/zinc/02/32/53/1301023253.db2.gz NGJOHOMVQHZKAM-HUUCEWRRSA-N 2 2 327.513 3.142 20 0 EGADLP C[C@H]1CC[N@H+](Cn2ccc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759147776 1301026097 /nfs/dbraw/zinc/02/60/97/1301026097.db2.gz OOVHFUYHCVMOOI-WMLDXEAASA-N 2 2 327.457 3.349 20 0 EGADLP C[C@H]1CC[N@@H+](Cn2ccc(-c3ccsc3)n2)C[C@H]1n1cc[nH+]c1 ZINC000759147776 1301026109 /nfs/dbraw/zinc/02/61/09/1301026109.db2.gz OOVHFUYHCVMOOI-WMLDXEAASA-N 2 2 327.457 3.349 20 0 EGADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568068 1301163968 /nfs/dbraw/zinc/16/39/68/1301163968.db2.gz SMTKESIVNMDIID-LMMKCTJWSA-N 2 2 340.471 3.004 20 0 EGADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NC1CCCCCC1 ZINC000880568302 1301164138 /nfs/dbraw/zinc/16/41/38/1301164138.db2.gz WOYWSMZMAOBMIE-LJQANCHMSA-N 2 2 340.471 3.053 20 0 EGADLP Cn1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C(F)F)n1 ZINC000880570928 1301165344 /nfs/dbraw/zinc/16/53/44/1301165344.db2.gz ZUVLTUSNTBXFHP-OAHLLOKOSA-N 2 2 331.370 3.085 20 0 EGADLP COc1ccc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000763473495 1301910397 /nfs/dbraw/zinc/91/03/97/1301910397.db2.gz SITZVCJDQBENOI-SFHVURJKSA-N 2 2 344.455 3.174 20 0 EGADLP C[NH+](C)[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000764507206 1302077801 /nfs/dbraw/zinc/07/78/01/1302077801.db2.gz IQUAZZGVVWTNCA-FQEVSTJZSA-N 2 2 348.450 3.182 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765795306 1302329843 /nfs/dbraw/zinc/32/98/43/1302329843.db2.gz AVNIPPQZQZSCFI-ZENOOKHLSA-N 2 2 338.904 3.330 20 0 EGADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765795306 1302329856 /nfs/dbraw/zinc/32/98/56/1302329856.db2.gz AVNIPPQZQZSCFI-ZENOOKHLSA-N 2 2 338.904 3.330 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000883387802 1302425636 /nfs/dbraw/zinc/42/56/36/1302425636.db2.gz FIECHEPXJOTDHY-PMPSAXMXSA-N 2 2 339.361 3.324 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868147 1303619267 /nfs/dbraw/zinc/61/92/67/1303619267.db2.gz WQCLKBPWTJOSBZ-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000886868147 1303619272 /nfs/dbraw/zinc/61/92/72/1303619272.db2.gz WQCLKBPWTJOSBZ-FXAWDEMLSA-N 2 2 329.488 3.096 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000887131176 1303685406 /nfs/dbraw/zinc/68/54/06/1303685406.db2.gz SCLKZWPNVGIMLO-AWEZNQCLSA-N 2 2 341.846 3.093 20 0 EGADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000887131176 1303685412 /nfs/dbraw/zinc/68/54/12/1303685412.db2.gz SCLKZWPNVGIMLO-AWEZNQCLSA-N 2 2 341.846 3.093 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000774381469 1303804389 /nfs/dbraw/zinc/80/43/89/1303804389.db2.gz WLHVKULHYDFEFU-VYDXJSESSA-N 2 2 339.524 3.285 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000774381469 1303804394 /nfs/dbraw/zinc/80/43/94/1303804394.db2.gz WLHVKULHYDFEFU-VYDXJSESSA-N 2 2 339.524 3.285 20 0 EGADLP C[N@H+](Cc1ccc(CF)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778497920 1304455799 /nfs/dbraw/zinc/45/57/99/1304455799.db2.gz MBPZBTWNYHNGBB-NRFANRHFSA-N 2 2 342.458 3.225 20 0 EGADLP C[N@@H+](Cc1ccc(CF)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778497920 1304455801 /nfs/dbraw/zinc/45/58/01/1304455801.db2.gz MBPZBTWNYHNGBB-NRFANRHFSA-N 2 2 342.458 3.225 20 0 EGADLP C[NH+](Cc1ccc(CF)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000778497920 1304455803 /nfs/dbraw/zinc/45/58/03/1304455803.db2.gz MBPZBTWNYHNGBB-NRFANRHFSA-N 2 2 342.458 3.225 20 0 EGADLP C[NH+](Cc1ccc(CF)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000778497920 1304455806 /nfs/dbraw/zinc/45/58/06/1304455806.db2.gz MBPZBTWNYHNGBB-NRFANRHFSA-N 2 2 342.458 3.225 20 0 EGADLP Cc1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c(N(C)C)[nH+]1 ZINC000779072750 1304526205 /nfs/dbraw/zinc/52/62/05/1304526205.db2.gz SEPIJWHQJMJFAG-UHFFFAOYSA-N 2 2 347.507 3.042 20 0 EGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1(C(=O)OC)CCC1 ZINC000779395494 1304566515 /nfs/dbraw/zinc/56/65/15/1304566515.db2.gz RMSJDPRGJMFFRO-KRWDZBQOSA-N 2 2 327.428 3.084 20 0 EGADLP O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943569 1305026291 /nfs/dbraw/zinc/02/62/91/1305026291.db2.gz VIGNMNHZAVRHMY-RTBURBONSA-N 2 2 344.503 3.124 20 0 EGADLP CCOCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000782952947 1305028894 /nfs/dbraw/zinc/02/88/94/1305028894.db2.gz PSWQSIOXYSFBOQ-SFHVURJKSA-N 2 2 331.460 3.460 20 0 EGADLP Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc(C2CCC2)[nH+]1 ZINC000891814870 1305176188 /nfs/dbraw/zinc/17/61/88/1305176188.db2.gz KDWFXMMTWLBIRZ-KRWDZBQOSA-N 2 2 330.476 3.108 20 0 EGADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH+](C)C ZINC000785854354 1305454263 /nfs/dbraw/zinc/45/42/63/1305454263.db2.gz DPUCQBLGNHBISF-HNAYVOBHSA-N 2 2 336.439 3.064 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(O)c(F)c3)[nH+]c2)CC1 ZINC000893136503 1305726659 /nfs/dbraw/zinc/72/66/59/1305726659.db2.gz UJQJRHGRFSXNKY-UHFFFAOYSA-N 2 2 344.434 3.069 20 0 EGADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242602 1305906862 /nfs/dbraw/zinc/90/68/62/1305906862.db2.gz FYONYAVLUJRFGE-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000788242602 1305906873 /nfs/dbraw/zinc/90/68/73/1305906873.db2.gz FYONYAVLUJRFGE-ZACQAIPSSA-N 2 2 339.524 3.144 20 0 EGADLP CC[N@H+](CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250581 1305907850 /nfs/dbraw/zinc/90/78/50/1305907850.db2.gz SJIZSTYBYUYPEA-SJORKVTESA-N 2 2 339.524 3.286 20 0 EGADLP CC[N@@H+](CC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000788250581 1305907854 /nfs/dbraw/zinc/90/78/54/1305907854.db2.gz SJIZSTYBYUYPEA-SJORKVTESA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977802 1306160287 /nfs/dbraw/zinc/16/02/87/1306160287.db2.gz JKLNSQKFAWSNGJ-WBVHZDCISA-N 2 2 344.455 3.472 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977802 1306160290 /nfs/dbraw/zinc/16/02/90/1306160290.db2.gz JKLNSQKFAWSNGJ-WBVHZDCISA-N 2 2 344.455 3.472 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977802 1306160295 /nfs/dbraw/zinc/16/02/95/1306160295.db2.gz JKLNSQKFAWSNGJ-WBVHZDCISA-N 2 2 344.455 3.472 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000893977802 1306160301 /nfs/dbraw/zinc/16/03/01/1306160301.db2.gz JKLNSQKFAWSNGJ-WBVHZDCISA-N 2 2 344.455 3.472 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062904 1306197870 /nfs/dbraw/zinc/19/78/70/1306197870.db2.gz GNJQZRUEIBMLFD-HNNXBMFYSA-N 2 2 343.471 3.118 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062904 1306197874 /nfs/dbraw/zinc/19/78/74/1306197874.db2.gz GNJQZRUEIBMLFD-HNNXBMFYSA-N 2 2 343.471 3.118 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062904 1306197879 /nfs/dbraw/zinc/19/78/79/1306197879.db2.gz GNJQZRUEIBMLFD-HNNXBMFYSA-N 2 2 343.471 3.118 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000894062904 1306197885 /nfs/dbraw/zinc/19/78/85/1306197885.db2.gz GNJQZRUEIBMLFD-HNNXBMFYSA-N 2 2 343.471 3.118 20 0 EGADLP Cc1ncoc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093874 1306214504 /nfs/dbraw/zinc/21/45/04/1306214504.db2.gz IYWVHQQORMYHES-RTBURBONSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000894093874 1306214509 /nfs/dbraw/zinc/21/45/09/1306214509.db2.gz IYWVHQQORMYHES-RTBURBONSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000894093874 1306214512 /nfs/dbraw/zinc/21/45/12/1306214512.db2.gz IYWVHQQORMYHES-RTBURBONSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1ncoc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000894093874 1306214516 /nfs/dbraw/zinc/21/45/16/1306214516.db2.gz IYWVHQQORMYHES-RTBURBONSA-N 2 2 325.456 3.470 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000790680282 1308852991 /nfs/dbraw/zinc/85/29/91/1308852991.db2.gz QGBHYBHTDMDHRT-KBPBESRZSA-N 2 2 325.294 3.454 20 0 EGADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000790680282 1308852998 /nfs/dbraw/zinc/85/29/98/1308852998.db2.gz QGBHYBHTDMDHRT-KBPBESRZSA-N 2 2 325.294 3.454 20 0 EGADLP CCC1([NH+]2CCOCC2)CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000894808351 1309082803 /nfs/dbraw/zinc/08/28/03/1309082803.db2.gz MZADETDKNTUAGW-UHFFFAOYSA-N 2 2 344.503 3.134 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+]CC(=O)Nc2cccc3cccnc32)CC1 ZINC000895484812 1309365934 /nfs/dbraw/zinc/36/59/34/1309365934.db2.gz AHCCZCHRMHGYQC-UHFFFAOYSA-N 2 2 340.471 3.026 20 0 EGADLP O=C(C[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1cccc2ccccc21 ZINC000895488159 1309367309 /nfs/dbraw/zinc/36/73/09/1309367309.db2.gz LTGRPGZTAMASTJ-UHFFFAOYSA-N 2 2 337.467 3.242 20 0 EGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796264483 1309947398 /nfs/dbraw/zinc/94/73/98/1309947398.db2.gz OWLQBKYFDJJMFE-UHFFFAOYSA-N 2 2 329.275 3.461 20 0 EGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796264483 1309947407 /nfs/dbraw/zinc/94/74/07/1309947407.db2.gz OWLQBKYFDJJMFE-UHFFFAOYSA-N 2 2 329.275 3.461 20 0 EGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000796279539 1309950748 /nfs/dbraw/zinc/95/07/48/1309950748.db2.gz CPAMGXXBLDKNGR-HNNXBMFYSA-N 2 2 347.894 3.051 20 0 EGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000796279539 1309950752 /nfs/dbraw/zinc/95/07/52/1309950752.db2.gz CPAMGXXBLDKNGR-HNNXBMFYSA-N 2 2 347.894 3.051 20 0 EGADLP c1cn(-c2ccc(Cc3noc(C4CC[NH+](C5CC5)CC4)n3)cc2)c[nH+]1 ZINC000896824467 1310038063 /nfs/dbraw/zinc/03/80/63/1310038063.db2.gz WFHIPHWJXAOEAW-UHFFFAOYSA-N 2 2 349.438 3.188 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798935246 1310460385 /nfs/dbraw/zinc/46/03/85/1310460385.db2.gz MEHXUBXJPPIIOQ-JOCHJYFZSA-N 3 2 341.543 3.363 20 0 EGADLP C[C@]1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935246 1310460392 /nfs/dbraw/zinc/46/03/92/1310460392.db2.gz MEHXUBXJPPIIOQ-JOCHJYFZSA-N 3 2 341.543 3.363 20 0 EGADLP CC[C@H](C)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000824597692 1320268687 /nfs/dbraw/zinc/26/86/87/1320268687.db2.gz WOGRIHYSDNTXME-OXJNMPFZSA-N 2 2 333.520 3.372 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1cccc2ccccc21 ZINC001019437225 1317243473 /nfs/dbraw/zinc/24/34/73/1317243473.db2.gz IOOYFUMPOIDMNQ-WBVHZDCISA-N 2 2 348.450 3.057 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900327306 1317272862 /nfs/dbraw/zinc/27/28/62/1317272862.db2.gz PEWYKOUZJPRLSZ-HOTGVXAUSA-N 2 2 348.516 3.084 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900327306 1317272867 /nfs/dbraw/zinc/27/28/67/1317272867.db2.gz PEWYKOUZJPRLSZ-HOTGVXAUSA-N 2 2 348.516 3.084 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CC1)CC[NH+](CCC(C)C)CC2 ZINC000957637215 1317512022 /nfs/dbraw/zinc/51/20/22/1317512022.db2.gz NCSMLNSDUWJZDS-UHFFFAOYSA-N 2 2 346.519 3.011 20 0 EGADLP CCNc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000902075866 1317517363 /nfs/dbraw/zinc/51/73/63/1317517363.db2.gz NJNJOTZOWMVKGG-UHFFFAOYSA-N 2 2 339.483 3.240 20 0 EGADLP CCOC(=O)[C@@H](CCc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803801 1328705238 /nfs/dbraw/zinc/70/52/38/1328705238.db2.gz NQWOWIODTSOIQL-GOSISDBHSA-N 2 2 341.455 3.154 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1OC ZINC000902432388 1317578046 /nfs/dbraw/zinc/57/80/46/1317578046.db2.gz HHZJIPPSDJLGTL-CFSSXQINSA-N 2 2 340.467 3.158 20 0 EGADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000902446510 1317579509 /nfs/dbraw/zinc/57/95/09/1317579509.db2.gz TWMVYUJRTFDGLI-YFZFPPMRSA-N 2 2 335.451 3.089 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902484252 1317582578 /nfs/dbraw/zinc/58/25/78/1317582578.db2.gz VCDWDBVXYAYZRD-FPOVZHCZSA-N 2 2 339.483 3.496 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2cccnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000902513816 1317585334 /nfs/dbraw/zinc/58/53/34/1317585334.db2.gz OOERGNFXMFFIJR-UXHICEINSA-N 2 2 325.456 3.024 20 0 EGADLP CNc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000902529944 1317588786 /nfs/dbraw/zinc/58/87/86/1317588786.db2.gz ZAASYVRBULOXBB-FQEVSTJZSA-N 2 2 339.483 3.109 20 0 EGADLP CNc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000902529944 1317588793 /nfs/dbraw/zinc/58/87/93/1317588793.db2.gz ZAASYVRBULOXBB-FQEVSTJZSA-N 2 2 339.483 3.109 20 0 EGADLP Cn1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nc2cccc(Cl)c21 ZINC000903151840 1317663827 /nfs/dbraw/zinc/66/38/27/1317663827.db2.gz IZBASCBGWQWPPV-LQDVMPOASA-N 2 2 344.890 3.474 20 0 EGADLP Cn1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc2cccc(Cl)c21 ZINC000903151840 1317663836 /nfs/dbraw/zinc/66/38/36/1317663836.db2.gz IZBASCBGWQWPPV-LQDVMPOASA-N 2 2 344.890 3.474 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000903196122 1317671243 /nfs/dbraw/zinc/67/12/43/1317671243.db2.gz IEZRMRPQLRCMMA-RYGJVYDSSA-N 2 2 330.472 3.417 20 0 EGADLP CC(=O)OCc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000903196122 1317671246 /nfs/dbraw/zinc/67/12/46/1317671246.db2.gz IEZRMRPQLRCMMA-RYGJVYDSSA-N 2 2 330.472 3.417 20 0 EGADLP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000903779343 1317731805 /nfs/dbraw/zinc/73/18/05/1317731805.db2.gz XVNSNCHJMCAOFG-UHFFFAOYSA-N 2 2 343.446 3.470 20 0 EGADLP COc1ccc(F)cc1-c1cncc(C[N@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000903779343 1317731810 /nfs/dbraw/zinc/73/18/10/1317731810.db2.gz XVNSNCHJMCAOFG-UHFFFAOYSA-N 2 2 343.446 3.470 20 0 EGADLP Cn1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3C3(C[NH3+])CCC3)cs2)n1 ZINC000903811836 1317737089 /nfs/dbraw/zinc/73/70/89/1317737089.db2.gz OMGUANDATMIRFD-INIZCTEOSA-N 2 2 345.516 3.027 20 0 EGADLP Cn1ccc(-c2nc(C[N@H+]3CCCC[C@H]3C3(C[NH3+])CCC3)cs2)n1 ZINC000903811836 1317737091 /nfs/dbraw/zinc/73/70/91/1317737091.db2.gz OMGUANDATMIRFD-INIZCTEOSA-N 2 2 345.516 3.027 20 0 EGADLP Cn1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3C3(C[NH3+])CCC3)cs2)n1 ZINC000903811837 1317737142 /nfs/dbraw/zinc/73/71/42/1317737142.db2.gz OMGUANDATMIRFD-MRXNPFEDSA-N 2 2 345.516 3.027 20 0 EGADLP Cn1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3C3(C[NH3+])CCC3)cs2)n1 ZINC000903811837 1317737146 /nfs/dbraw/zinc/73/71/46/1317737146.db2.gz OMGUANDATMIRFD-MRXNPFEDSA-N 2 2 345.516 3.027 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c(C)c1 ZINC000903816262 1317738200 /nfs/dbraw/zinc/73/82/00/1317738200.db2.gz XIKAZRKSFCFXKJ-SFHVURJKSA-N 2 2 329.488 3.225 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)c(C)c1 ZINC000903816262 1317738204 /nfs/dbraw/zinc/73/82/04/1317738204.db2.gz XIKAZRKSFCFXKJ-SFHVURJKSA-N 2 2 329.488 3.225 20 0 EGADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903899910 1317745242 /nfs/dbraw/zinc/74/52/42/1317745242.db2.gz YLMBKQMLZWCVCG-XJKSGUPXSA-N 2 2 347.400 3.016 20 0 EGADLP CCc1oc2ccccc2c1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974620 1317759486 /nfs/dbraw/zinc/75/94/86/1317759486.db2.gz RZBYWWKTGBCDON-OAHLLOKOSA-N 2 2 328.456 3.244 20 0 EGADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000904363562 1317836680 /nfs/dbraw/zinc/83/66/80/1317836680.db2.gz IUVQLTPQFUJCKC-SFHVURJKSA-N 2 2 331.504 3.052 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640985 1318498076 /nfs/dbraw/zinc/49/80/76/1318498076.db2.gz AWOULRMWMCEEIE-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021640985 1318498080 /nfs/dbraw/zinc/49/80/80/1318498080.db2.gz AWOULRMWMCEEIE-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]([NH2+]Cc4ccccc4C)C3)ccn12 ZINC001022081001 1318792111 /nfs/dbraw/zinc/79/21/11/1318792111.db2.gz UURMHXNYROIHBI-KDURUIRLSA-N 2 2 348.450 3.002 20 0 EGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000815559160 1319014361 /nfs/dbraw/zinc/01/43/61/1319014361.db2.gz ZEDBRAZPTMFWSA-OXJNMPFZSA-N 2 2 342.458 3.204 20 0 EGADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000815559160 1319014367 /nfs/dbraw/zinc/01/43/67/1319014367.db2.gz ZEDBRAZPTMFWSA-OXJNMPFZSA-N 2 2 342.458 3.204 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901044 1319041450 /nfs/dbraw/zinc/04/14/50/1319041450.db2.gz LZRYPLKFZNHZCD-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1)n1cc[nH+]c1 ZINC000960901044 1319041458 /nfs/dbraw/zinc/04/14/58/1319041458.db2.gz LZRYPLKFZNHZCD-MJGOQNOKSA-N 2 2 346.519 3.337 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)c1cccc2ccccc21 ZINC001023163144 1319301290 /nfs/dbraw/zinc/30/12/90/1319301290.db2.gz UYMFBAGWIXNXJX-RYQLBKOJSA-N 2 2 348.450 3.034 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259935 1319407796 /nfs/dbraw/zinc/40/77/96/1319407796.db2.gz HMFNGYFPAGOFQQ-DLBZAZTESA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000961259935 1319407803 /nfs/dbraw/zinc/40/78/03/1319407803.db2.gz HMFNGYFPAGOFQQ-DLBZAZTESA-N 2 2 346.519 3.048 20 0 EGADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c2ccccc21 ZINC000817890972 1319453158 /nfs/dbraw/zinc/45/31/58/1319453158.db2.gz CSGUNJRKFRHCIW-IXDOHACOSA-N 2 2 336.357 3.171 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819182665 1319661027 /nfs/dbraw/zinc/66/10/27/1319661027.db2.gz GMSFSSULGJMMTR-QRWLVFNGSA-N 2 2 343.446 3.069 20 0 EGADLP C[C@H]1C[C@H](C[NH2+]CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC000824235464 1320241277 /nfs/dbraw/zinc/24/12/77/1320241277.db2.gz AVSIKPISZXRJLU-JKSUJKDBSA-N 2 2 339.524 3.096 20 0 EGADLP COC[C@@]1(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CCC[NH2+]1 ZINC000841065279 1321211938 /nfs/dbraw/zinc/21/19/38/1321211938.db2.gz AEXOOTCHWXXQRJ-AWEZNQCLSA-N 2 2 334.407 3.157 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nc(-c3ccco3)no2)cc1 ZINC000859215273 1328947825 /nfs/dbraw/zinc/94/78/25/1328947825.db2.gz AQURPBVBBYLYMV-UHFFFAOYSA-N 2 2 326.400 3.023 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccco3)no2)cc1 ZINC000859215273 1328947828 /nfs/dbraw/zinc/94/78/28/1328947828.db2.gz AQURPBVBBYLYMV-UHFFFAOYSA-N 2 2 326.400 3.023 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843058525 1321463935 /nfs/dbraw/zinc/46/39/35/1321463935.db2.gz VCHGJVCXJOLPQD-BBRMVZONSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843058525 1321463939 /nfs/dbraw/zinc/46/39/39/1321463939.db2.gz VCHGJVCXJOLPQD-BBRMVZONSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843058526 1321464058 /nfs/dbraw/zinc/46/40/58/1321464058.db2.gz VCHGJVCXJOLPQD-CJNGLKHVSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000843058526 1321464061 /nfs/dbraw/zinc/46/40/61/1321464061.db2.gz VCHGJVCXJOLPQD-CJNGLKHVSA-N 2 2 332.879 3.062 20 0 EGADLP CCC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC000843360625 1321506272 /nfs/dbraw/zinc/50/62/72/1321506272.db2.gz DPIXOVRQCAQTPO-UHFFFAOYSA-N 2 2 331.504 3.387 20 0 EGADLP CCC[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC000843360625 1321506275 /nfs/dbraw/zinc/50/62/75/1321506275.db2.gz DPIXOVRQCAQTPO-UHFFFAOYSA-N 2 2 331.504 3.387 20 0 EGADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843378070 1321508841 /nfs/dbraw/zinc/50/88/41/1321508841.db2.gz YVHPDHGFKWTACF-RKVPGOIHSA-N 2 2 331.504 3.370 20 0 EGADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000843378070 1321508846 /nfs/dbraw/zinc/50/88/46/1321508846.db2.gz YVHPDHGFKWTACF-RKVPGOIHSA-N 2 2 331.504 3.370 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1SC(F)(F)F ZINC000843385883 1321509650 /nfs/dbraw/zinc/50/96/50/1321509650.db2.gz ASJCNNQPFCDFHC-STQMWFEESA-N 2 2 346.418 3.491 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1SC(F)(F)F ZINC000843385883 1321509652 /nfs/dbraw/zinc/50/96/52/1321509652.db2.gz ASJCNNQPFCDFHC-STQMWFEESA-N 2 2 346.418 3.491 20 0 EGADLP CCC(CC)(C[NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000844165636 1321575298 /nfs/dbraw/zinc/57/52/98/1321575298.db2.gz LPVPCZIWYWOFSE-CYBMUJFWSA-N 2 2 338.521 3.079 20 0 EGADLP CCC(CC)(C[NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000844165636 1321575301 /nfs/dbraw/zinc/57/53/01/1321575301.db2.gz LPVPCZIWYWOFSE-CYBMUJFWSA-N 2 2 338.521 3.079 20 0 EGADLP CCC(CC)(C[NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000844165638 1321575451 /nfs/dbraw/zinc/57/54/51/1321575451.db2.gz LPVPCZIWYWOFSE-ZDUSSCGKSA-N 2 2 338.521 3.079 20 0 EGADLP CCC(CC)(C[NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000844165638 1321575455 /nfs/dbraw/zinc/57/54/55/1321575455.db2.gz LPVPCZIWYWOFSE-ZDUSSCGKSA-N 2 2 338.521 3.079 20 0 EGADLP CCN(c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1)C(C)C ZINC000844224966 1321580059 /nfs/dbraw/zinc/58/00/59/1321580059.db2.gz WQAUHELHKLBVAW-SFHVURJKSA-N 2 2 346.519 3.063 20 0 EGADLP CCN(c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1)C(C)C ZINC000844224966 1321580064 /nfs/dbraw/zinc/58/00/64/1321580064.db2.gz WQAUHELHKLBVAW-SFHVURJKSA-N 2 2 346.519 3.063 20 0 EGADLP C[C@@H](CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581825 1321720072 /nfs/dbraw/zinc/72/00/72/1321720072.db2.gz LPEDVCIACBWZAF-ZIFCJYIRSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@@H](CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC000845581825 1321720077 /nfs/dbraw/zinc/72/00/77/1321720077.db2.gz LPEDVCIACBWZAF-ZIFCJYIRSA-N 2 2 341.455 3.288 20 0 EGADLP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000850157310 1322200794 /nfs/dbraw/zinc/20/07/94/1322200794.db2.gz PQLUAXNHOPCDGU-CRAIPNDOSA-N 2 2 331.485 3.324 20 0 EGADLP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000850157310 1322200799 /nfs/dbraw/zinc/20/07/99/1322200799.db2.gz PQLUAXNHOPCDGU-CRAIPNDOSA-N 2 2 331.485 3.324 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751422 1322391907 /nfs/dbraw/zinc/39/19/07/1322391907.db2.gz XGSPRYRHOXLBLV-OXJNMPFZSA-N 2 2 337.467 3.017 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000921751422 1322391913 /nfs/dbraw/zinc/39/19/13/1322391913.db2.gz XGSPRYRHOXLBLV-OXJNMPFZSA-N 2 2 337.467 3.017 20 0 EGADLP C[C@@H]1[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)CCN1Cc1ccccc1 ZINC000924645525 1323090334 /nfs/dbraw/zinc/09/03/34/1323090334.db2.gz KRMCIQGOKAHMCM-YLJYHZDGSA-N 2 2 338.499 3.015 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(Br)n1 ZINC000924713634 1323128395 /nfs/dbraw/zinc/12/83/95/1323128395.db2.gz RTZIOTXPEMXZHT-GFCCVEGCSA-N 2 2 338.293 3.369 20 0 EGADLP OCCC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924778306 1323159538 /nfs/dbraw/zinc/15/95/38/1323159538.db2.gz VUJNMQCVAFSLKQ-FUHWJXTLSA-N 2 2 331.435 3.432 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@H+]3CCC(C)C)ccn12 ZINC001024440694 1323401926 /nfs/dbraw/zinc/40/19/26/1323401926.db2.gz RMMDBNLTUFZIKI-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCC[N@@H+]3CCC(C)C)ccn12 ZINC001024440694 1323401931 /nfs/dbraw/zinc/40/19/31/1323401931.db2.gz RMMDBNLTUFZIKI-GOSISDBHSA-N 2 2 342.487 3.273 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1)c1ccccc1 ZINC001024946486 1323795378 /nfs/dbraw/zinc/79/53/78/1323795378.db2.gz ONJUQXPRKCSAGR-SJLPKXTDSA-N 2 2 340.471 3.074 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cs1 ZINC000931432595 1329115688 /nfs/dbraw/zinc/11/56/88/1329115688.db2.gz WRBGBCPHBXLBKC-LSDHHAIUSA-N 2 2 343.496 3.202 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cs1 ZINC000931432595 1329115695 /nfs/dbraw/zinc/11/56/95/1329115695.db2.gz WRBGBCPHBXLBKC-LSDHHAIUSA-N 2 2 343.496 3.202 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cs1 ZINC000931432595 1329115696 /nfs/dbraw/zinc/11/56/96/1329115696.db2.gz WRBGBCPHBXLBKC-LSDHHAIUSA-N 2 2 343.496 3.202 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cs1 ZINC000931432595 1329115701 /nfs/dbraw/zinc/11/57/01/1329115701.db2.gz WRBGBCPHBXLBKC-LSDHHAIUSA-N 2 2 343.496 3.202 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305215 1324138337 /nfs/dbraw/zinc/13/83/37/1324138337.db2.gz USMLWYRHGSIKDK-ZWKOTPCHSA-N 2 2 346.519 3.165 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025305215 1324138341 /nfs/dbraw/zinc/13/83/41/1324138341.db2.gz USMLWYRHGSIKDK-ZWKOTPCHSA-N 2 2 346.519 3.165 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000860095696 1329145022 /nfs/dbraw/zinc/14/50/22/1329145022.db2.gz RRSKHGBXSAQKAE-OAHLLOKOSA-N 2 2 344.459 3.217 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1)NC(=O)OC(C)(C)C ZINC000860095696 1329145025 /nfs/dbraw/zinc/14/50/25/1329145025.db2.gz RRSKHGBXSAQKAE-OAHLLOKOSA-N 2 2 344.459 3.217 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001026919874 1325083000 /nfs/dbraw/zinc/08/30/00/1325083000.db2.gz PIXUIXSDJVNIJH-MRXNPFEDSA-N 2 2 340.471 3.195 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001026919312 1325083271 /nfs/dbraw/zinc/08/32/71/1325083271.db2.gz GSFVNGXSSZYNAE-JKSUJKDBSA-N 2 2 348.450 3.376 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368313 1325174295 /nfs/dbraw/zinc/17/42/95/1325174295.db2.gz VIDBDKREGDPMJW-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000963368313 1325174304 /nfs/dbraw/zinc/17/43/04/1325174304.db2.gz VIDBDKREGDPMJW-FUHWJXTLSA-N 2 2 346.519 3.091 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCCO2 ZINC000925792877 1325304831 /nfs/dbraw/zinc/30/48/31/1325304831.db2.gz BQIPOUVRLQOYJO-MOPGFXCFSA-N 2 2 344.499 3.211 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000927056736 1327832256 /nfs/dbraw/zinc/83/22/56/1327832256.db2.gz WEQWUDCIOFGXAR-QXRTWZOPSA-N 2 2 327.428 3.205 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943355 1328417539 /nfs/dbraw/zinc/41/75/39/1328417539.db2.gz QSQYBBWXJBKAMS-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027943355 1328417543 /nfs/dbraw/zinc/41/75/43/1328417543.db2.gz QSQYBBWXJBKAMS-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943355 1328417544 /nfs/dbraw/zinc/41/75/44/1328417544.db2.gz QSQYBBWXJBKAMS-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1CCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001027943355 1328417547 /nfs/dbraw/zinc/41/75/47/1328417547.db2.gz QSQYBBWXJBKAMS-KZNAEPCWSA-N 2 2 344.503 3.064 20 0 EGADLP c1ccc(CNc2cc(N3CCC[C@@H]([NH+]4CCCC4)C3)nc[nH+]2)cc1 ZINC000865449415 1329698856 /nfs/dbraw/zinc/69/88/56/1329698856.db2.gz ZAPGCAQRMYBGBP-GOSISDBHSA-N 2 2 337.471 3.153 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935288012 1330041738 /nfs/dbraw/zinc/04/17/38/1330041738.db2.gz SEXUTHUOLCDYPA-NVXWUHKLSA-N 2 2 348.450 3.203 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935288012 1330041739 /nfs/dbraw/zinc/04/17/39/1330041739.db2.gz SEXUTHUOLCDYPA-NVXWUHKLSA-N 2 2 348.450 3.203 20 0 EGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1 ZINC000866665812 1330139035 /nfs/dbraw/zinc/13/90/35/1330139035.db2.gz HQFMYRJZAWJUDG-BLLLJJGKSA-N 2 2 344.286 3.107 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)ccc1F ZINC000866707476 1330143634 /nfs/dbraw/zinc/14/36/34/1330143634.db2.gz OWXYZFKGYBEHNM-IBGZPJMESA-N 2 2 346.450 3.381 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)n2)ccc1F ZINC000866707476 1330143635 /nfs/dbraw/zinc/14/36/35/1330143635.db2.gz OWXYZFKGYBEHNM-IBGZPJMESA-N 2 2 346.450 3.381 20 0 EGADLP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H]4[NH2+]CC[C@H]43)CCC2)c1 ZINC000866723935 1330144528 /nfs/dbraw/zinc/14/45/28/1330144528.db2.gz HQMGABAIIRMXIB-VQTJNVASSA-N 2 2 344.499 3.208 20 0 EGADLP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H]4[NH2+]CC[C@H]43)CCC2)c1 ZINC000866723935 1330144529 /nfs/dbraw/zinc/14/45/29/1330144529.db2.gz HQMGABAIIRMXIB-VQTJNVASSA-N 2 2 344.499 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCC(C)C)[C@@H](C)C3)ccn12 ZINC000947315274 1333085820 /nfs/dbraw/zinc/08/58/20/1333085820.db2.gz QIHPGWHJZLDHBD-YJBOKZPZSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCC(C)C)[C@@H](C)C3)ccn12 ZINC000947315274 1333085824 /nfs/dbraw/zinc/08/58/24/1333085824.db2.gz QIHPGWHJZLDHBD-YJBOKZPZSA-N 2 2 342.487 3.272 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947441890 1333128626 /nfs/dbraw/zinc/12/86/26/1333128626.db2.gz MDPZDDORJQHKOJ-MAUKXSAKSA-N 2 2 347.503 3.038 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC000947441890 1333128627 /nfs/dbraw/zinc/12/86/27/1333128627.db2.gz MDPZDDORJQHKOJ-MAUKXSAKSA-N 2 2 347.503 3.038 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540560 1333163929 /nfs/dbraw/zinc/16/39/29/1333163929.db2.gz VMSWZBWPDMMBDG-DOTOQJQBSA-N 2 2 342.487 3.353 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC000947540560 1333163931 /nfs/dbraw/zinc/16/39/31/1333163931.db2.gz VMSWZBWPDMMBDG-DOTOQJQBSA-N 2 2 342.487 3.353 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902304 1336085520 /nfs/dbraw/zinc/08/55/20/1336085520.db2.gz XXGQEQDMIOKDCP-RCCFBDPRSA-N 2 2 346.519 3.310 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000968902304 1336085523 /nfs/dbraw/zinc/08/55/23/1336085523.db2.gz XXGQEQDMIOKDCP-RCCFBDPRSA-N 2 2 346.519 3.310 20 0 EGADLP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902304 1336085526 /nfs/dbraw/zinc/08/55/26/1336085526.db2.gz XXGQEQDMIOKDCP-RCCFBDPRSA-N 2 2 346.519 3.310 20 0 EGADLP CCC(CC)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000968902304 1336085528 /nfs/dbraw/zinc/08/55/28/1336085528.db2.gz XXGQEQDMIOKDCP-RCCFBDPRSA-N 2 2 346.519 3.310 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205635419 1370821054 /nfs/dbraw/zinc/82/10/54/1370821054.db2.gz AEZQWHOZVKVLAT-JQWIXIFHSA-N 2 2 345.256 3.101 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cc(F)c(O)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205635419 1370821056 /nfs/dbraw/zinc/82/10/56/1370821056.db2.gz AEZQWHOZVKVLAT-JQWIXIFHSA-N 2 2 345.256 3.101 20 0 EGADLP CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005981421 1336434193 /nfs/dbraw/zinc/43/41/93/1336434193.db2.gz SGGDFFADUVMZBY-KRWDZBQOSA-N 2 2 346.519 3.189 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528939 1336664396 /nfs/dbraw/zinc/66/43/96/1336664396.db2.gz ICMUBKGMPKCIFI-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001007528939 1336664398 /nfs/dbraw/zinc/66/43/98/1336664398.db2.gz ICMUBKGMPKCIFI-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528939 1336664400 /nfs/dbraw/zinc/66/44/00/1336664400.db2.gz ICMUBKGMPKCIFI-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001007528939 1336664402 /nfs/dbraw/zinc/66/44/02/1336664402.db2.gz ICMUBKGMPKCIFI-RCCFBDPRSA-N 2 2 344.503 3.064 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205925900 1370914130 /nfs/dbraw/zinc/91/41/30/1370914130.db2.gz ZYKCWTSTUJYFAU-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205925900 1370914136 /nfs/dbraw/zinc/91/41/36/1370914136.db2.gz ZYKCWTSTUJYFAU-QWHCGFSZSA-N 2 2 341.293 3.325 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001029495756 1341000681 /nfs/dbraw/zinc/00/06/81/1341000681.db2.gz RFTBMGXRSGGHLE-QRQLOZEOSA-N 2 2 342.487 3.010 20 0 EGADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1)n1cc[nH+]c1 ZINC001029495756 1341000683 /nfs/dbraw/zinc/00/06/83/1341000683.db2.gz RFTBMGXRSGGHLE-QRQLOZEOSA-N 2 2 342.487 3.010 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032195 1341162447 /nfs/dbraw/zinc/16/24/47/1341162447.db2.gz COTLDLOAKVWXLD-RLFYNMQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001030032195 1341162448 /nfs/dbraw/zinc/16/24/48/1341162448.db2.gz COTLDLOAKVWXLD-RLFYNMQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030032195 1341162449 /nfs/dbraw/zinc/16/24/49/1341162449.db2.gz COTLDLOAKVWXLD-RLFYNMQTSA-N 2 2 349.906 3.076 20 0 EGADLP C[C@@H](c1ccccc1Cl)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030032195 1341162450 /nfs/dbraw/zinc/16/24/50/1341162450.db2.gz COTLDLOAKVWXLD-RLFYNMQTSA-N 2 2 349.906 3.076 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1 ZINC001030956033 1341255627 /nfs/dbraw/zinc/25/56/27/1341255627.db2.gz QPUIZQKHACSONV-DLBZAZTESA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1 ZINC001030956033 1341255628 /nfs/dbraw/zinc/25/56/28/1341255628.db2.gz QPUIZQKHACSONV-DLBZAZTESA-N 2 2 343.515 3.156 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031045796 1341269140 /nfs/dbraw/zinc/26/91/40/1341269140.db2.gz URQWBDKUVJDWOH-UXHICEINSA-N 2 2 343.515 3.201 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031045796 1341269142 /nfs/dbraw/zinc/26/91/42/1341269142.db2.gz URQWBDKUVJDWOH-UXHICEINSA-N 2 2 343.515 3.201 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032474125 1341517898 /nfs/dbraw/zinc/51/78/98/1341517898.db2.gz OGTPCLBGTFBYHC-XFKAJCMBSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032474125 1341517901 /nfs/dbraw/zinc/51/79/01/1341517901.db2.gz OGTPCLBGTFBYHC-XFKAJCMBSA-N 2 2 349.906 3.026 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950043 1342109118 /nfs/dbraw/zinc/10/91/18/1342109118.db2.gz OHWIAYMBXXWXND-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033950043 1342109121 /nfs/dbraw/zinc/10/91/21/1342109121.db2.gz OHWIAYMBXXWXND-IAGOWNOFSA-N 2 2 346.519 3.189 20 0 EGADLP CC(C)(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075950673 1356452830 /nfs/dbraw/zinc/45/28/30/1356452830.db2.gz SIJDAYBWHIIQSJ-KBXCAEBGSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075950673 1356452836 /nfs/dbraw/zinc/45/28/36/1356452836.db2.gz SIJDAYBWHIIQSJ-KBXCAEBGSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391457 1342460740 /nfs/dbraw/zinc/46/07/40/1342460740.db2.gz MTEMGQNLXRAEBE-CVEARBPZSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391457 1342460744 /nfs/dbraw/zinc/46/07/44/1342460744.db2.gz MTEMGQNLXRAEBE-CVEARBPZSA-N 2 2 346.519 3.237 20 0 EGADLP CC1(C)CC(C[NH2+]C[C@H]2CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034975003 1342861327 /nfs/dbraw/zinc/86/13/27/1342861327.db2.gz QJDZLOVIGWAYBK-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)c1cc3c[nH+]ccc3[nH]1)CC2 ZINC001035735026 1343160415 /nfs/dbraw/zinc/16/04/15/1343160415.db2.gz ZCNIJLJYYBMBHN-HNNXBMFYSA-N 2 2 340.471 3.147 20 0 EGADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036265267 1343385778 /nfs/dbraw/zinc/38/57/78/1343385778.db2.gz LAXJXNHQQFXHBS-WBVHZDCISA-N 2 2 344.503 3.014 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001036414476 1343472625 /nfs/dbraw/zinc/47/26/25/1343472625.db2.gz OPESAKOIZRSYBQ-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001036414476 1343472626 /nfs/dbraw/zinc/47/26/26/1343472626.db2.gz OPESAKOIZRSYBQ-SJLPKXTDSA-N 2 2 344.503 3.059 20 0 EGADLP CC[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1[NH2+]CC(C)C ZINC001037858854 1344144484 /nfs/dbraw/zinc/14/44/84/1344144484.db2.gz YYJGTCATLGFUQA-FUHWJXTLSA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037963535 1344207081 /nfs/dbraw/zinc/20/70/81/1344207081.db2.gz ZSIBUDDMMNLSSJ-IRXDYDNUSA-N 2 2 346.519 3.094 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1[C@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415339 1344418318 /nfs/dbraw/zinc/41/83/18/1344418318.db2.gz HFCRZHZUMNANKE-JXFKEZNVSA-N 2 2 346.434 3.055 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1[C@H]1CCc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001038415339 1344418321 /nfs/dbraw/zinc/41/83/21/1344418321.db2.gz HFCRZHZUMNANKE-JXFKEZNVSA-N 2 2 346.434 3.055 20 0 EGADLP CCc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038417836 1344420568 /nfs/dbraw/zinc/42/05/68/1344420568.db2.gz UVRMOHRLMKWYAW-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1cccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001038417836 1344420570 /nfs/dbraw/zinc/42/05/70/1344420570.db2.gz UVRMOHRLMKWYAW-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174361 1344865124 /nfs/dbraw/zinc/86/51/24/1344865124.db2.gz SNXPBZKGUNTVKQ-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001039174361 1344865129 /nfs/dbraw/zinc/86/51/29/1344865129.db2.gz SNXPBZKGUNTVKQ-QGZVFWFLSA-N 2 2 346.519 3.048 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039941826 1345254115 /nfs/dbraw/zinc/25/41/15/1345254115.db2.gz JMXBBUAGCUDYIU-RYQLBKOJSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039941826 1345254119 /nfs/dbraw/zinc/25/41/19/1345254119.db2.gz JMXBBUAGCUDYIU-RYQLBKOJSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001039941826 1345254124 /nfs/dbraw/zinc/25/41/24/1345254124.db2.gz JMXBBUAGCUDYIU-RYQLBKOJSA-N 2 2 346.519 3.090 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001039941826 1345254126 /nfs/dbraw/zinc/25/41/26/1345254126.db2.gz JMXBBUAGCUDYIU-RYQLBKOJSA-N 2 2 346.519 3.090 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118016 1345948818 /nfs/dbraw/zinc/94/88/18/1345948818.db2.gz UUIGWFWAYVEEAD-DNVCBOLYSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001042118016 1345948819 /nfs/dbraw/zinc/94/88/19/1345948819.db2.gz UUIGWFWAYVEEAD-DNVCBOLYSA-N 2 2 338.455 3.066 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042311822 1346028999 /nfs/dbraw/zinc/02/89/99/1346028999.db2.gz AGTSIFBESISKIR-HOTGVXAUSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC001042311822 1346029001 /nfs/dbraw/zinc/02/90/01/1346029001.db2.gz AGTSIFBESISKIR-HOTGVXAUSA-N 2 2 346.519 3.046 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001043520691 1346186191 /nfs/dbraw/zinc/18/61/91/1346186191.db2.gz NJAYWMDVHAJIEU-QGZVFWFLSA-N 2 2 343.515 3.073 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646493 1346391778 /nfs/dbraw/zinc/39/17/78/1346391778.db2.gz BNNXDBGARMSHQS-MAUKXSAKSA-N 2 2 348.450 3.346 20 0 EGADLP CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045968584 1346802834 /nfs/dbraw/zinc/80/28/34/1346802834.db2.gz DBFSMQDGXDYYIW-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001045968584 1346802835 /nfs/dbraw/zinc/80/28/35/1346802835.db2.gz DBFSMQDGXDYYIW-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976456 1346813320 /nfs/dbraw/zinc/81/33/20/1346813320.db2.gz ZWOSRELCGJWKSF-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001045976456 1346813321 /nfs/dbraw/zinc/81/33/21/1346813321.db2.gz ZWOSRELCGJWKSF-FQEVSTJZSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001048041894 1347448872 /nfs/dbraw/zinc/44/88/72/1347448872.db2.gz ZFZIEKCLHXXLPP-DOTOQJQBSA-N 2 2 344.503 3.014 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836013 1348694735 /nfs/dbraw/zinc/69/47/35/1348694735.db2.gz AGALNJHYORAQMC-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001052836013 1348694737 /nfs/dbraw/zinc/69/47/37/1348694737.db2.gz AGALNJHYORAQMC-SFHVURJKSA-N 2 2 340.471 3.257 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053023810 1348822498 /nfs/dbraw/zinc/82/24/98/1348822498.db2.gz KOSLCSLSJGGJLZ-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001053023810 1348822503 /nfs/dbraw/zinc/82/25/03/1348822503.db2.gz KOSLCSLSJGGJLZ-ROUUACIJSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036509 1348836771 /nfs/dbraw/zinc/83/67/71/1348836771.db2.gz MAYCWIFWIGWION-OALUTQOASA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001053036509 1348836772 /nfs/dbraw/zinc/83/67/72/1348836772.db2.gz MAYCWIFWIGWION-OALUTQOASA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084965 1348906535 /nfs/dbraw/zinc/90/65/35/1348906535.db2.gz ZNNBOXFGKKUORH-QZTJIDSGSA-N 2 2 346.519 3.236 20 0 EGADLP CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001053084965 1348906538 /nfs/dbraw/zinc/90/65/38/1348906538.db2.gz ZNNBOXFGKKUORH-QZTJIDSGSA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205556 1349206948 /nfs/dbraw/zinc/20/69/48/1349206948.db2.gz UOWLYPGWLTZBFG-ICSRJNTNSA-N 2 2 344.503 3.115 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001054205556 1349206949 /nfs/dbraw/zinc/20/69/49/1349206949.db2.gz UOWLYPGWLTZBFG-ICSRJNTNSA-N 2 2 344.503 3.115 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H]([NH2+]Cc3ccccc3)[C@@H](C)C2)c(C)[nH+]1 ZINC001054922080 1349514373 /nfs/dbraw/zinc/51/43/73/1349514373.db2.gz HXECUTIXHIYAMG-KXBFYZLASA-N 2 2 337.467 3.257 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccc3)C2)c(C)[nH+]1 ZINC001054922079 1349514671 /nfs/dbraw/zinc/51/46/71/1349514671.db2.gz HXECUTIXHIYAMG-HNAYVOBHSA-N 2 2 337.467 3.257 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(F)c1 ZINC001183065397 1387257489 /nfs/dbraw/zinc/25/74/89/1387257489.db2.gz KQYZHZBZAKJEPO-KDOFPFPSSA-N 2 2 336.451 3.165 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)C[NH+](C)C)c(F)c1 ZINC001183065397 1387257492 /nfs/dbraw/zinc/25/74/92/1387257492.db2.gz KQYZHZBZAKJEPO-KDOFPFPSSA-N 2 2 336.451 3.165 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](C)[N@@H+](CCC4CC4)C3)ccn12 ZINC001071510838 1354734644 /nfs/dbraw/zinc/73/46/44/1354734644.db2.gz GTMASMQNTREKCH-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@@H](C)[N@H+](CCC4CC4)C3)ccn12 ZINC001071510838 1354734645 /nfs/dbraw/zinc/73/46/45/1354734645.db2.gz GTMASMQNTREKCH-KDOFPFPSSA-N 2 2 340.471 3.026 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@@H+]1CC1CCCC1 ZINC001071610564 1354795259 /nfs/dbraw/zinc/79/52/59/1354795259.db2.gz VFKNNMMGWLMAIH-RHSMWYFYSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CC1CCCC1 ZINC001071610564 1354795262 /nfs/dbraw/zinc/79/52/62/1354795262.db2.gz VFKNNMMGWLMAIH-RHSMWYFYSA-N 2 2 340.471 3.336 20 0 EGADLP CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071953621 1355038996 /nfs/dbraw/zinc/03/89/96/1355038996.db2.gz BZASAECKRHKOHV-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071953621 1355039000 /nfs/dbraw/zinc/03/90/00/1355039000.db2.gz BZASAECKRHKOHV-SJLPKXTDSA-N 2 2 340.471 3.255 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001074006992 1356032291 /nfs/dbraw/zinc/03/22/91/1356032291.db2.gz NJODNIHTFIYKSS-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001074006992 1356032294 /nfs/dbraw/zinc/03/22/94/1356032294.db2.gz NJODNIHTFIYKSS-GOSISDBHSA-N 2 2 346.519 3.236 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)[N@H+](CC2CCC2)C1 ZINC001099359957 1363772761 /nfs/dbraw/zinc/77/27/61/1363772761.db2.gz UXQPNIFVWFOBNZ-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)[N@@H+](CC2CCC2)C1 ZINC001099359957 1363772764 /nfs/dbraw/zinc/77/27/64/1363772764.db2.gz UXQPNIFVWFOBNZ-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001082654689 1358069828 /nfs/dbraw/zinc/06/98/28/1358069828.db2.gz GISMUSKBKPROBI-HDYIFKCDSA-N 2 2 329.488 3.103 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001082771744 1358089791 /nfs/dbraw/zinc/08/97/91/1358089791.db2.gz OZAMRMUUVOIMBP-ZHALLVOQSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1)n1cc[nH+]c1 ZINC001085045873 1358376335 /nfs/dbraw/zinc/37/63/35/1358376335.db2.gz OMGAVTRZKZQQOZ-KURKYZTESA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](CC(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1)n1cc[nH+]c1 ZINC001085045873 1358376337 /nfs/dbraw/zinc/37/63/37/1358376337.db2.gz OMGAVTRZKZQQOZ-KURKYZTESA-N 2 2 346.519 3.193 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345821 1358474275 /nfs/dbraw/zinc/47/42/75/1358474275.db2.gz RLXPDNJBGCABRS-ATZDWAIDSA-N 2 2 340.471 3.039 20 0 EGADLP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1 ZINC001085346192 1358474439 /nfs/dbraw/zinc/47/44/39/1358474439.db2.gz KIWXHEYEICIPMH-IPMKNSEASA-N 2 2 340.471 3.121 20 0 EGADLP CN(C[C@@H]1CC[N@@H+]1CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673410 1358677293 /nfs/dbraw/zinc/67/72/93/1358677293.db2.gz WUOKLSKIIHJBIZ-KRWDZBQOSA-N 2 2 338.455 3.210 20 0 EGADLP CN(C[C@@H]1CC[N@H+]1CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673410 1358677296 /nfs/dbraw/zinc/67/72/96/1358677296.db2.gz WUOKLSKIIHJBIZ-KRWDZBQOSA-N 2 2 338.455 3.210 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673532 1358677312 /nfs/dbraw/zinc/67/73/12/1358677312.db2.gz ZDXMFMIYKSCREC-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085673532 1358677314 /nfs/dbraw/zinc/67/73/14/1358677314.db2.gz ZDXMFMIYKSCREC-GOSISDBHSA-N 2 2 348.450 3.218 20 0 EGADLP CC1CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001086732828 1359192979 /nfs/dbraw/zinc/19/29/79/1359192979.db2.gz FXAGVZBZGODRFZ-KXJMLMMSSA-N 2 2 340.471 3.097 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCC1CCCC1 ZINC001088663480 1360006167 /nfs/dbraw/zinc/00/61/67/1360006167.db2.gz CTKDGJNUHQPDSA-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCC1CCCC1 ZINC001088663480 1360006171 /nfs/dbraw/zinc/00/61/71/1360006171.db2.gz CTKDGJNUHQPDSA-PBHICJAKSA-N 2 2 340.471 3.336 20 0 EGADLP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001323736914 1387439311 /nfs/dbraw/zinc/43/93/11/1387439311.db2.gz XZIIMLMGDQXWKL-KRWDZBQOSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001323736914 1387439316 /nfs/dbraw/zinc/43/93/16/1387439316.db2.gz XZIIMLMGDQXWKL-KRWDZBQOSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089234558 1360273333 /nfs/dbraw/zinc/27/33/33/1360273333.db2.gz ZLZUSWGELWRVHT-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001089234558 1360273336 /nfs/dbraw/zinc/27/33/36/1360273336.db2.gz ZLZUSWGELWRVHT-APWZRJJASA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](C(C)C)CC(C)(C)C3)ccn12 ZINC001089386635 1360387782 /nfs/dbraw/zinc/38/77/82/1360387782.db2.gz RIYDMTJBBCPHDO-QGZVFWFLSA-N 2 2 342.487 3.272 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](C(C)C)CC(C)(C)C3)ccn12 ZINC001089386635 1360387785 /nfs/dbraw/zinc/38/77/85/1360387785.db2.gz RIYDMTJBBCPHDO-QGZVFWFLSA-N 2 2 342.487 3.272 20 0 EGADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486790 1360467106 /nfs/dbraw/zinc/46/71/06/1360467106.db2.gz CVYDRACEQMWFIL-CVEARBPZSA-N 2 2 346.519 3.092 20 0 EGADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC(C)(C)C1 ZINC001089486790 1360467109 /nfs/dbraw/zinc/46/71/09/1360467109.db2.gz CVYDRACEQMWFIL-CVEARBPZSA-N 2 2 346.519 3.092 20 0 EGADLP CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658114 1360569670 /nfs/dbraw/zinc/56/96/70/1360569670.db2.gz IDACXVIEJILPME-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089658114 1360569672 /nfs/dbraw/zinc/56/96/72/1360569672.db2.gz IDACXVIEJILPME-HNNXBMFYSA-N 2 2 328.460 3.193 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CC3CC(C)C3)[C@H](C)C2)c(C)[nH+]1 ZINC001093931976 1361717599 /nfs/dbraw/zinc/71/75/99/1361717599.db2.gz SGHFQJKXOICBJO-USVIQLHUSA-N 2 2 343.515 3.351 20 0 EGADLP CC(C)[NH2+][C@@H](C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001098820320 1363481629 /nfs/dbraw/zinc/48/16/29/1363481629.db2.gz HZMKINJETCXUIB-APWZRJJASA-N 2 2 346.519 3.138 20 0 EGADLP CC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903599 1363513903 /nfs/dbraw/zinc/51/39/03/1363513903.db2.gz WNVHKMKXZLSYSW-UVFQYZLESA-N 2 2 340.471 3.193 20 0 EGADLP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001098903599 1363513908 /nfs/dbraw/zinc/51/39/08/1363513908.db2.gz WNVHKMKXZLSYSW-UVFQYZLESA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252027 1363715136 /nfs/dbraw/zinc/71/51/36/1363715136.db2.gz QKNBZXIQCHQCKL-FUHWJXTLSA-N 2 2 346.519 3.241 20 0 EGADLP C[C@@H](CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCC1CC1)n1cc[nH+]c1 ZINC001099252027 1363715138 /nfs/dbraw/zinc/71/51/38/1363715138.db2.gz QKNBZXIQCHQCKL-FUHWJXTLSA-N 2 2 346.519 3.241 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099364188 1363774381 /nfs/dbraw/zinc/77/43/81/1363774381.db2.gz INUZBPSMWFJKLE-MJRGOJFPSA-N 2 2 346.519 3.236 20 0 EGADLP CCC/C=C\CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001099364188 1363774383 /nfs/dbraw/zinc/77/43/83/1363774383.db2.gz INUZBPSMWFJKLE-MJRGOJFPSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001101579475 1364631883 /nfs/dbraw/zinc/63/18/83/1364631883.db2.gz IKGQNESDFSJAPJ-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CCc1cc(NCC2([NH+]3CCC(OC)CC3)CCCC2)nc(CC)[nH+]1 ZINC001185413496 1387709233 /nfs/dbraw/zinc/70/92/33/1387709233.db2.gz IXNCEIOCTNTQMG-UHFFFAOYSA-N 2 2 346.519 3.437 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454844 1365065021 /nfs/dbraw/zinc/06/50/21/1365065021.db2.gz VGTFWFQCXZCRKS-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454844 1365065024 /nfs/dbraw/zinc/06/50/24/1365065024.db2.gz VGTFWFQCXZCRKS-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454844 1365065027 /nfs/dbraw/zinc/06/50/27/1365065027.db2.gz VGTFWFQCXZCRKS-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102454844 1365065034 /nfs/dbraw/zinc/06/50/34/1365065034.db2.gz VGTFWFQCXZCRKS-GVDBMIGSSA-N 2 2 348.535 3.099 20 0 EGADLP C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145626 1365408107 /nfs/dbraw/zinc/40/81/07/1365408107.db2.gz NHALLZIKPPUGLE-GDBMZVCRSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001103145626 1365408110 /nfs/dbraw/zinc/40/81/10/1365408110.db2.gz NHALLZIKPPUGLE-GDBMZVCRSA-N 2 2 340.471 3.051 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC[NH2+]C/C=C/Cl ZINC001104352371 1365983134 /nfs/dbraw/zinc/98/31/34/1365983134.db2.gz QZCOZRGHCQMXQD-WVHFKYGJSA-N 2 2 346.862 3.003 20 0 EGADLP CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738533 1366150975 /nfs/dbraw/zinc/15/09/75/1366150975.db2.gz ZXUPJPCKCYUFLF-CEXWTWQISA-N 2 2 348.535 3.489 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846634 1387790671 /nfs/dbraw/zinc/79/06/71/1387790671.db2.gz ZPFOLEPBUJZGKK-MRXNPFEDSA-N 2 2 335.455 3.265 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001324846634 1387790673 /nfs/dbraw/zinc/79/06/73/1387790673.db2.gz ZPFOLEPBUJZGKK-MRXNPFEDSA-N 2 2 335.455 3.265 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001104954701 1366240822 /nfs/dbraw/zinc/24/08/22/1366240822.db2.gz OVPNUVOSAKXEBA-LZLYRXPVSA-N 2 2 348.535 3.017 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544788 1366521728 /nfs/dbraw/zinc/52/17/28/1366521728.db2.gz ULLJFTUKOUKNFA-JFIYKMOQSA-N 2 2 344.503 3.063 20 0 EGADLP CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544788 1366521731 /nfs/dbraw/zinc/52/17/31/1366521731.db2.gz ULLJFTUKOUKNFA-JFIYKMOQSA-N 2 2 344.503 3.063 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710312 1366777703 /nfs/dbraw/zinc/77/77/03/1366777703.db2.gz GBUGCHZFPYLUMV-QRTFGMIHSA-N 2 2 346.519 3.265 20 0 EGADLP CCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561777 1367044900 /nfs/dbraw/zinc/04/49/00/1367044900.db2.gz REKFIXUHNWCXEP-NLWGTHIKSA-N 2 2 346.519 3.385 20 0 EGADLP CCCCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561777 1367044905 /nfs/dbraw/zinc/04/49/05/1367044905.db2.gz REKFIXUHNWCXEP-NLWGTHIKSA-N 2 2 346.519 3.385 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651900 1367094652 /nfs/dbraw/zinc/09/46/52/1367094652.db2.gz NLBREYGUDAELNL-UYAOXDASSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651900 1367094657 /nfs/dbraw/zinc/09/46/57/1367094657.db2.gz NLBREYGUDAELNL-UYAOXDASSA-N 2 2 346.519 3.070 20 0 EGADLP CC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190174633 1367190537 /nfs/dbraw/zinc/19/05/37/1367190537.db2.gz GTGFWZXLHFPGQA-QWNKOJSDSA-N 2 2 340.471 3.145 20 0 EGADLP CC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001190174633 1367190540 /nfs/dbraw/zinc/19/05/40/1367190540.db2.gz GTGFWZXLHFPGQA-QWNKOJSDSA-N 2 2 340.471 3.145 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109824999 1367341907 /nfs/dbraw/zinc/34/19/07/1367341907.db2.gz RNYKREOFKAEUKS-BGTYHANMSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109824999 1367341915 /nfs/dbraw/zinc/34/19/15/1367341915.db2.gz RNYKREOFKAEUKS-BGTYHANMSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C ZINC001109824999 1367341919 /nfs/dbraw/zinc/34/19/19/1367341919.db2.gz RNYKREOFKAEUKS-BGTYHANMSA-N 2 2 346.519 3.136 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C ZINC001109824999 1367341926 /nfs/dbraw/zinc/34/19/26/1367341926.db2.gz RNYKREOFKAEUKS-BGTYHANMSA-N 2 2 346.519 3.136 20 0 EGADLP C[N@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933485 1367385021 /nfs/dbraw/zinc/38/50/21/1367385021.db2.gz ILAHWSJJQHXZCO-HNNXBMFYSA-N 2 2 328.460 3.145 20 0 EGADLP C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001190933485 1367385025 /nfs/dbraw/zinc/38/50/25/1367385025.db2.gz ILAHWSJJQHXZCO-HNNXBMFYSA-N 2 2 328.460 3.145 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192889 1367558062 /nfs/dbraw/zinc/55/80/62/1367558062.db2.gz HZHKVRFGMHNPGO-YRXWBPOGSA-N 2 2 346.519 3.067 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1)C2 ZINC001110192889 1367558065 /nfs/dbraw/zinc/55/80/65/1367558065.db2.gz HZHKVRFGMHNPGO-YRXWBPOGSA-N 2 2 346.519 3.067 20 0 EGADLP CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC001108730633 1367562643 /nfs/dbraw/zinc/56/26/43/1367562643.db2.gz UQGVEDVENRWFBL-BZSNNMDCSA-N 2 2 329.488 3.390 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778448 1367872641 /nfs/dbraw/zinc/87/26/41/1367872641.db2.gz NANSZEQONYUMCE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778448 1367872645 /nfs/dbraw/zinc/87/26/45/1367872645.db2.gz NANSZEQONYUMCE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192778448 1367872648 /nfs/dbraw/zinc/87/26/48/1367872648.db2.gz NANSZEQONYUMCE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192778448 1367872653 /nfs/dbraw/zinc/87/26/53/1367872653.db2.gz NANSZEQONYUMCE-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](C[C@@H](C)CC(C)C)CC2)c[nH+]1 ZINC001196268893 1368579262 /nfs/dbraw/zinc/57/92/62/1368579262.db2.gz NWCYKTLRYWYNIC-KRWDZBQOSA-N 2 2 348.535 3.143 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](C[C@@H](C)CC(C)C)CC2)c[nH+]1 ZINC001196268893 1368579264 /nfs/dbraw/zinc/57/92/64/1368579264.db2.gz NWCYKTLRYWYNIC-KRWDZBQOSA-N 2 2 348.535 3.143 20 0 EGADLP CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125855 1368749788 /nfs/dbraw/zinc/74/97/88/1368749788.db2.gz NATJSJVPZKEOHA-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001197125855 1368749791 /nfs/dbraw/zinc/74/97/91/1368749791.db2.gz NATJSJVPZKEOHA-IAGOWNOFSA-N 2 2 346.519 3.046 20 0 EGADLP CCC/C=C\CC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197283477 1368779525 /nfs/dbraw/zinc/77/95/25/1368779525.db2.gz NMOOHUFDTNLKCV-OOFWQKGWSA-N 2 2 332.492 3.115 20 0 EGADLP CCC/C=C\CC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001197283477 1368779526 /nfs/dbraw/zinc/77/95/26/1368779526.db2.gz NMOOHUFDTNLKCV-OOFWQKGWSA-N 2 2 332.492 3.115 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]C[C@H](C)CC(C)C)CC2)c[nH+]1 ZINC001201224216 1369499510 /nfs/dbraw/zinc/49/95/10/1369499510.db2.gz OWKVVBLZRVCYAD-MRXNPFEDSA-N 2 2 348.535 3.189 20 0 EGADLP c1ccc(N2CCOC3(CC[NH+](C[C@@H]4CC=CCC4)CC3)C2)[nH+]c1 ZINC001201410635 1369538764 /nfs/dbraw/zinc/53/87/64/1369538764.db2.gz LNKUVAMMQZELEG-GOSISDBHSA-N 2 2 327.472 3.109 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](C/C(Br)=C/c3ccccc3)C[C@@H]2C1 ZINC001201452504 1369548537 /nfs/dbraw/zinc/54/85/37/1369548537.db2.gz MVEDLEYVRCEUPG-VOFMVFLFSA-N 2 2 335.289 3.306 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](C/C(Br)=C/c3ccccc3)C[C@@H]2C1 ZINC001201452504 1369548538 /nfs/dbraw/zinc/54/85/38/1369548538.db2.gz MVEDLEYVRCEUPG-VOFMVFLFSA-N 2 2 335.289 3.306 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](C/C(Br)=C/c3ccccc3)C[C@@H]2C1 ZINC001201452504 1369548542 /nfs/dbraw/zinc/54/85/42/1369548542.db2.gz MVEDLEYVRCEUPG-VOFMVFLFSA-N 2 2 335.289 3.306 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](C/C(Br)=C/c3ccccc3)C[C@@H]2C1 ZINC001201452504 1369548546 /nfs/dbraw/zinc/54/85/46/1369548546.db2.gz MVEDLEYVRCEUPG-VOFMVFLFSA-N 2 2 335.289 3.306 20 0 EGADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1F ZINC001201625850 1369592748 /nfs/dbraw/zinc/59/27/48/1369592748.db2.gz FGBNHNSPGUJRHG-QGZVFWFLSA-N 2 2 346.421 3.211 20 0 EGADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1F ZINC001201625850 1369592751 /nfs/dbraw/zinc/59/27/51/1369592751.db2.gz FGBNHNSPGUJRHG-QGZVFWFLSA-N 2 2 346.421 3.211 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1 ZINC001201659379 1369599171 /nfs/dbraw/zinc/59/91/71/1369599171.db2.gz VGYXLMIDYZWNPG-UHFFFAOYSA-N 3 2 339.487 3.423 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001202694928 1369854608 /nfs/dbraw/zinc/85/46/08/1369854608.db2.gz WJXJKMYFTLEHJR-IRXDYDNUSA-N 2 2 334.508 3.097 20 0 EGADLP COc1ccc([C@H]([NH2+]CCCc2nc(C)cs2)[C@H]2CCC[NH2+]2)cc1 ZINC001325716123 1388033574 /nfs/dbraw/zinc/03/35/74/1388033574.db2.gz FPTQRMYDUNOVTD-MJGOQNOKSA-N 2 2 345.512 3.476 20 0 EGADLP CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190947 1370017886 /nfs/dbraw/zinc/01/78/86/1370017886.db2.gz BQBBTBQXMIFWJE-DLBZAZTESA-N 2 2 329.488 3.438 20 0 EGADLP CC(C)(C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)c1c[nH+]c[nH]1 ZINC001203337867 1370088149 /nfs/dbraw/zinc/08/81/49/1370088149.db2.gz XETSLLWJEIKIKU-UHFFFAOYSA-N 2 2 346.519 3.238 20 0 EGADLP COc1ccc(OC)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203534776 1370159181 /nfs/dbraw/zinc/15/91/81/1370159181.db2.gz XZJXAHZFGKVVFB-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(OC)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203534776 1370159184 /nfs/dbraw/zinc/15/91/84/1370159184.db2.gz XZJXAHZFGKVVFB-KRWDZBQOSA-N 2 2 328.412 3.061 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)s1 ZINC001204032437 1370354018 /nfs/dbraw/zinc/35/40/18/1370354018.db2.gz WOPPOXTZRIIJEW-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)s1 ZINC001204032437 1370354024 /nfs/dbraw/zinc/35/40/24/1370354024.db2.gz WOPPOXTZRIIJEW-UHFFFAOYSA-N 2 2 344.528 3.421 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001204069798 1370367665 /nfs/dbraw/zinc/36/76/65/1370367665.db2.gz VHDSOVLBDBYWEU-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C)c(Br)cn1 ZINC001204110852 1370380071 /nfs/dbraw/zinc/38/00/71/1370380071.db2.gz KGRJMTUDRVPBGF-CYBMUJFWSA-N 2 2 328.298 3.363 20 0 EGADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204290599 1370432665 /nfs/dbraw/zinc/43/26/65/1370432665.db2.gz UZCKSNJMYUFYQB-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204290599 1370432669 /nfs/dbraw/zinc/43/26/69/1370432669.db2.gz UZCKSNJMYUFYQB-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001204290599 1370432670 /nfs/dbraw/zinc/43/26/70/1370432670.db2.gz UZCKSNJMYUFYQB-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001204290599 1370432673 /nfs/dbraw/zinc/43/26/73/1370432673.db2.gz UZCKSNJMYUFYQB-HDICACEKSA-N 2 2 346.478 3.435 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204319767 1370443008 /nfs/dbraw/zinc/44/30/08/1370443008.db2.gz ATWJQNPTYHEKSK-IBGZPJMESA-N 2 2 341.499 3.254 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC001204319767 1370443010 /nfs/dbraw/zinc/44/30/10/1370443010.db2.gz ATWJQNPTYHEKSK-IBGZPJMESA-N 2 2 341.499 3.254 20 0 EGADLP Cc1c(F)cccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204509815 1370497602 /nfs/dbraw/zinc/49/76/02/1370497602.db2.gz QELMCWFCGYHANO-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c(F)cccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001204509815 1370497604 /nfs/dbraw/zinc/49/76/04/1370497604.db2.gz QELMCWFCGYHANO-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001204509815 1370497608 /nfs/dbraw/zinc/49/76/08/1370497608.db2.gz QELMCWFCGYHANO-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1c(F)cccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001204509815 1370497609 /nfs/dbraw/zinc/49/76/09/1370497609.db2.gz QELMCWFCGYHANO-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC001115510158 1370508597 /nfs/dbraw/zinc/50/85/97/1370508597.db2.gz MQXNKVSGOYAXCQ-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP C[C@H](F)CC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115595089 1370596372 /nfs/dbraw/zinc/59/63/72/1370596372.db2.gz NRLYQYDYJWKLPO-AWEZNQCLSA-N 2 2 346.450 3.333 20 0 EGADLP CCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627693 1370620961 /nfs/dbraw/zinc/62/09/61/1370620961.db2.gz MRDUEAKGEXYRLQ-UHFFFAOYSA-N 2 2 328.460 3.157 20 0 EGADLP CC/C=C/CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCCCC1 ZINC001115641850 1370633336 /nfs/dbraw/zinc/63/33/36/1370633336.db2.gz KUWLVXXVYXBBAQ-SNAWJCMRSA-N 2 2 346.519 3.118 20 0 EGADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205118965 1370655911 /nfs/dbraw/zinc/65/59/11/1370655911.db2.gz JHPFLAMUBPSUKV-UHFFFAOYSA-N 2 2 346.519 3.141 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145776 1370662874 /nfs/dbraw/zinc/66/28/74/1370662874.db2.gz GISFLMPPWMHURL-NWDGAFQWSA-N 2 2 349.862 3.025 20 0 EGADLP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205145776 1370662877 /nfs/dbraw/zinc/66/28/77/1370662877.db2.gz GISFLMPPWMHURL-NWDGAFQWSA-N 2 2 349.862 3.025 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205177569 1370670967 /nfs/dbraw/zinc/67/09/67/1370670967.db2.gz WLDSQZZUZCQNAT-FOIQADDNSA-N 2 2 325.456 3.385 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)cc2)cc1 ZINC001205177569 1370670974 /nfs/dbraw/zinc/67/09/74/1370670974.db2.gz WLDSQZZUZCQNAT-FOIQADDNSA-N 2 2 325.456 3.385 20 0 EGADLP O=C(NCC1([NH2+]CCC2CC2)CCCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001115725303 1370705840 /nfs/dbraw/zinc/70/58/40/1370705840.db2.gz UDGBNBQCGVWHKE-INIZCTEOSA-N 2 2 344.503 3.038 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303273 1370714064 /nfs/dbraw/zinc/71/40/64/1370714064.db2.gz BWFNBLWZPSOAKU-GXFFZTMASA-N 2 2 329.257 3.313 20 0 EGADLP Cc1cc(Br)c(F)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205303273 1370714071 /nfs/dbraw/zinc/71/40/71/1370714071.db2.gz BWFNBLWZPSOAKU-GXFFZTMASA-N 2 2 329.257 3.313 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205317194 1370719120 /nfs/dbraw/zinc/71/91/20/1370719120.db2.gz NIUQTJZZOYFODJ-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205317194 1370719123 /nfs/dbraw/zinc/71/91/23/1370719123.db2.gz NIUQTJZZOYFODJ-GXTWGEPZSA-N 2 2 341.293 3.265 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc3cccc(Br)c3n2)C[C@H]1C[NH3+] ZINC001205318108 1370719751 /nfs/dbraw/zinc/71/97/51/1370719751.db2.gz RUKJFABWTSSCEI-TZMCWYRMSA-N 2 2 348.288 3.414 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc3cccc(Br)c3n2)C[C@H]1C[NH3+] ZINC001205318108 1370719754 /nfs/dbraw/zinc/71/97/54/1370719754.db2.gz RUKJFABWTSSCEI-TZMCWYRMSA-N 2 2 348.288 3.414 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115765883 1370749989 /nfs/dbraw/zinc/74/99/89/1370749989.db2.gz JZACLFHOEKFEHJ-KRWDZBQOSA-N 2 2 348.535 3.433 20 0 EGADLP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC001115765883 1370749994 /nfs/dbraw/zinc/74/99/94/1370749994.db2.gz JZACLFHOEKFEHJ-KRWDZBQOSA-N 2 2 348.535 3.433 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001115790585 1370772587 /nfs/dbraw/zinc/77/25/87/1370772587.db2.gz UKMITVDNHFCKHM-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350578 1370891112 /nfs/dbraw/zinc/89/11/12/1370891112.db2.gz GGJTUFWPHJTEKF-MSOLQXFVSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)c2cccc(F)c2)[nH+]1 ZINC001116350578 1370891115 /nfs/dbraw/zinc/89/11/15/1370891115.db2.gz GGJTUFWPHJTEKF-MSOLQXFVSA-N 2 2 329.419 3.139 20 0 EGADLP C[NH2+]C(C)(C)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001206009966 1370936914 /nfs/dbraw/zinc/93/69/14/1370936914.db2.gz DKWMPQUHHXLKLQ-OAHLLOKOSA-N 2 2 341.390 3.062 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026244 1370941936 /nfs/dbraw/zinc/94/19/36/1370941936.db2.gz RCAVIFBHFIKSQJ-GOEBONIOSA-N 3 2 332.879 3.333 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCC[C@@H]1C[NH3+] ZINC001206026244 1370941938 /nfs/dbraw/zinc/94/19/38/1370941938.db2.gz RCAVIFBHFIKSQJ-GOEBONIOSA-N 3 2 332.879 3.333 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206049404 1370948457 /nfs/dbraw/zinc/94/84/57/1370948457.db2.gz MINYPIRJIISDRI-FOIQADDNSA-N 2 2 338.451 3.309 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C)[C@H]([NH3+])C3)cc2)cc1 ZINC001206049404 1370948461 /nfs/dbraw/zinc/94/84/61/1370948461.db2.gz MINYPIRJIISDRI-FOIQADDNSA-N 2 2 338.451 3.309 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C[C@H]1[NH3+] ZINC001206058593 1370950735 /nfs/dbraw/zinc/95/07/35/1370950735.db2.gz IHFHMAIXLFPBSQ-IUODEOHRSA-N 2 2 346.272 3.290 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)C[C@H]1[NH3+] ZINC001206058593 1370950740 /nfs/dbraw/zinc/95/07/40/1370950740.db2.gz IHFHMAIXLFPBSQ-IUODEOHRSA-N 2 2 346.272 3.290 20 0 EGADLP CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001206238245 1371000880 /nfs/dbraw/zinc/00/08/80/1371000880.db2.gz KIJXWOMFSXLHPP-KRWDZBQOSA-N 2 2 346.519 3.094 20 0 EGADLP CS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068731 1371009461 /nfs/dbraw/zinc/00/94/61/1371009461.db2.gz NECWLISCDGSECA-XUVXKRRUSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC001117068731 1371009475 /nfs/dbraw/zinc/00/94/75/1371009475.db2.gz NECWLISCDGSECA-XUVXKRRUSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@H]([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068731 1371009482 /nfs/dbraw/zinc/00/94/82/1371009482.db2.gz NECWLISCDGSECA-XUVXKRRUSA-N 2 2 348.556 3.493 20 0 EGADLP CS[C@@H]1CC[C@H]([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC001117068731 1371009490 /nfs/dbraw/zinc/00/94/90/1371009490.db2.gz NECWLISCDGSECA-XUVXKRRUSA-N 2 2 348.556 3.493 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206344934 1371029001 /nfs/dbraw/zinc/02/90/01/1371029001.db2.gz YFJIPNIIWHKBJH-FQEVSTJZSA-N 2 2 344.478 3.201 20 0 EGADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206344934 1371029005 /nfs/dbraw/zinc/02/90/05/1371029005.db2.gz YFJIPNIIWHKBJH-FQEVSTJZSA-N 2 2 344.478 3.201 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC001206548179 1371089994 /nfs/dbraw/zinc/08/99/94/1371089994.db2.gz ICKBYNPSUJAAFP-OAHLLOKOSA-N 2 2 327.266 3.106 20 0 EGADLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC001206548179 1371089997 /nfs/dbraw/zinc/08/99/97/1371089997.db2.gz ICKBYNPSUJAAFP-OAHLLOKOSA-N 2 2 327.266 3.106 20 0 EGADLP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206639923 1371116415 /nfs/dbraw/zinc/11/64/15/1371116415.db2.gz GRTYZCDVFGYBMX-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1cc(Br)cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c1F ZINC001206639923 1371116418 /nfs/dbraw/zinc/11/64/18/1371116418.db2.gz GRTYZCDVFGYBMX-GFCCVEGCSA-N 2 2 329.257 3.457 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646859 1371118209 /nfs/dbraw/zinc/11/82/09/1371118209.db2.gz DVCCAKFNKYSBNR-CYBMUJFWSA-N 2 2 341.293 3.327 20 0 EGADLP COc1c(C)cc(Br)cc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206646859 1371118210 /nfs/dbraw/zinc/11/82/10/1371118210.db2.gz DVCCAKFNKYSBNR-CYBMUJFWSA-N 2 2 341.293 3.327 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC001206646898 1371118227 /nfs/dbraw/zinc/11/82/27/1371118227.db2.gz DXTWXLGIUYYESS-NSHDSACASA-N 2 2 342.365 3.022 20 0 EGADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 ZINC001206646898 1371118230 /nfs/dbraw/zinc/11/82/30/1371118230.db2.gz DXTWXLGIUYYESS-NSHDSACASA-N 2 2 342.365 3.022 20 0 EGADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC001206660723 1371124422 /nfs/dbraw/zinc/12/44/22/1371124422.db2.gz HATCCDPFZQPOMQ-FPOVZHCZSA-N 2 2 329.532 3.361 20 0 EGADLP F[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206674758 1371128674 /nfs/dbraw/zinc/12/86/74/1371128674.db2.gz WDBYAUMXKDJDCT-KRWDZBQOSA-N 2 2 342.405 3.088 20 0 EGADLP F[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC001206674758 1371128679 /nfs/dbraw/zinc/12/86/79/1371128679.db2.gz WDBYAUMXKDJDCT-KRWDZBQOSA-N 2 2 342.405 3.088 20 0 EGADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccccc1 ZINC001206772052 1371160855 /nfs/dbraw/zinc/16/08/55/1371160855.db2.gz VFFBFIIDQCRNPL-KRWDZBQOSA-N 2 2 325.387 3.338 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206969887 1371251680 /nfs/dbraw/zinc/25/16/80/1371251680.db2.gz RMAXPBTWTNTWEQ-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP Cc1[nH]c(-c2ccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)cc2)[nH+]c1C ZINC001119316609 1371308168 /nfs/dbraw/zinc/30/81/68/1371308168.db2.gz QMKQHOCZFRXEIA-MRXNPFEDSA-N 2 2 326.444 3.410 20 0 EGADLP COCC[N@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188065 1371324701 /nfs/dbraw/zinc/32/47/01/1371324701.db2.gz SKWBDJBLFNAYDB-LPHOPBHVSA-N 2 2 336.907 3.486 20 0 EGADLP COCC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC001207188065 1371324706 /nfs/dbraw/zinc/32/47/06/1371324706.db2.gz SKWBDJBLFNAYDB-LPHOPBHVSA-N 2 2 336.907 3.486 20 0 EGADLP COc1cccc(C(=O)C2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001207279998 1371348366 /nfs/dbraw/zinc/34/83/66/1371348366.db2.gz QURXVYPUAMWWJJ-UHFFFAOYSA-N 2 2 332.488 3.178 20 0 EGADLP CC(C)[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207376506 1371379253 /nfs/dbraw/zinc/37/92/53/1371379253.db2.gz AVUIZPQHRJAICO-KRWDZBQOSA-N 2 2 339.524 3.191 20 0 EGADLP CC(C)[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001207376506 1371379260 /nfs/dbraw/zinc/37/92/60/1371379260.db2.gz AVUIZPQHRJAICO-KRWDZBQOSA-N 2 2 339.524 3.191 20 0 EGADLP C[NH+]1CCC(CC[N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001207487833 1371410845 /nfs/dbraw/zinc/41/08/45/1371410845.db2.gz UILBQOZFPOESFS-UHFFFAOYSA-N 2 2 340.446 3.330 20 0 EGADLP C[NH+]1CCC(CC[N@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001207487833 1371410850 /nfs/dbraw/zinc/41/08/50/1371410850.db2.gz UILBQOZFPOESFS-UHFFFAOYSA-N 2 2 340.446 3.330 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1ccc(F)cc1)CC2 ZINC001207512106 1371420259 /nfs/dbraw/zinc/42/02/59/1371420259.db2.gz CFMYRWYSGBKZPU-UHFFFAOYSA-N 2 2 344.478 3.266 20 0 EGADLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1ccc(F)cc1)CC2 ZINC001207512106 1371420261 /nfs/dbraw/zinc/42/02/61/1371420261.db2.gz CFMYRWYSGBKZPU-UHFFFAOYSA-N 2 2 344.478 3.266 20 0 EGADLP c1ccc(CCCC[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC001207612988 1371452525 /nfs/dbraw/zinc/45/25/25/1371452525.db2.gz FWZOWHKUTPCLSF-FGZHOGPDSA-N 2 2 335.495 3.468 20 0 EGADLP CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681518 1371473043 /nfs/dbraw/zinc/47/30/43/1371473043.db2.gz VKLNGGCJLNXQLQ-IRZMVBRHSA-N 2 2 346.519 3.110 20 0 EGADLP CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001207681518 1371473045 /nfs/dbraw/zinc/47/30/45/1371473045.db2.gz VKLNGGCJLNXQLQ-IRZMVBRHSA-N 2 2 346.519 3.110 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001207834464 1371515278 /nfs/dbraw/zinc/51/52/78/1371515278.db2.gz VLHYJFPGNFLXLL-BGYRXZFFSA-N 2 2 333.479 3.177 20 0 EGADLP c1ccc(C2(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001207834464 1371515282 /nfs/dbraw/zinc/51/52/82/1371515282.db2.gz VLHYJFPGNFLXLL-BGYRXZFFSA-N 2 2 333.479 3.177 20 0 EGADLP c1ccc(C2(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001207834464 1371515287 /nfs/dbraw/zinc/51/52/87/1371515287.db2.gz VLHYJFPGNFLXLL-BGYRXZFFSA-N 2 2 333.479 3.177 20 0 EGADLP c1ccc(C2(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)CC2)cc1 ZINC001207834464 1371515289 /nfs/dbraw/zinc/51/52/89/1371515289.db2.gz VLHYJFPGNFLXLL-BGYRXZFFSA-N 2 2 333.479 3.177 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208048207 1371579827 /nfs/dbraw/zinc/57/98/27/1371579827.db2.gz DKJREOBBHBTEET-GOSISDBHSA-N 2 2 342.487 3.417 20 0 EGADLP Cc1ccc([C@H](C)CC[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)o1 ZINC001208165353 1371614797 /nfs/dbraw/zinc/61/47/97/1371614797.db2.gz RDYMKYHDKWPERZ-QGZVFWFLSA-N 2 2 333.520 3.041 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[NH+]2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175781 1371621220 /nfs/dbraw/zinc/62/12/20/1371621220.db2.gz NTOPSKXNCURCBY-QZTJIDSGSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[NH+]2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)CC1 ZINC001208175781 1371621245 /nfs/dbraw/zinc/62/12/45/1371621245.db2.gz NTOPSKXNCURCBY-QZTJIDSGSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175781 1371621249 /nfs/dbraw/zinc/62/12/49/1371621249.db2.gz NTOPSKXNCURCBY-QZTJIDSGSA-N 2 2 345.535 3.316 20 0 EGADLP CC1=C[C@@H](C)[C@@H](C[N@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001208175781 1371621253 /nfs/dbraw/zinc/62/12/53/1371621253.db2.gz NTOPSKXNCURCBY-QZTJIDSGSA-N 2 2 345.535 3.316 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001208387154 1371747000 /nfs/dbraw/zinc/74/70/00/1371747000.db2.gz OGCUIUXAZZJHOR-MOPGFXCFSA-N 2 2 348.535 3.487 20 0 EGADLP CC[NH+]1CCC(C[NH+]2CCC([N@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001208602544 1371836507 /nfs/dbraw/zinc/83/65/07/1371836507.db2.gz HRVRLMVKHUIEMU-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP CC[NH+]1CCC(C[NH+]2CCC([N@@H+](C)Cc3ccccc3F)CC2)CC1 ZINC001208602544 1371836510 /nfs/dbraw/zinc/83/65/10/1371836510.db2.gz HRVRLMVKHUIEMU-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121034041 1371838488 /nfs/dbraw/zinc/83/84/88/1371838488.db2.gz XFFBADIHRMGIKR-UEBDJUODSA-N 2 2 346.519 3.042 20 0 EGADLP CCCC[NH2+]C1CC2(CC(NC(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC001121117171 1371857669 /nfs/dbraw/zinc/85/76/69/1371857669.db2.gz FYVAZTOKTFZHEK-UHFFFAOYSA-N 2 2 340.471 3.073 20 0 EGADLP Fc1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc1 ZINC001208766262 1371889199 /nfs/dbraw/zinc/88/91/99/1371889199.db2.gz BVVVLLJFQSEYMT-RTBURBONSA-N 2 2 339.458 3.217 20 0 EGADLP CC(C)(C)OC(=O)NCCCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209360546 1372078243 /nfs/dbraw/zinc/07/82/43/1372078243.db2.gz QPAIFYWIMLZJBD-UHFFFAOYSA-N 2 2 349.475 3.230 20 0 EGADLP CC[NH+](CC)c1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1 ZINC001210264157 1372309581 /nfs/dbraw/zinc/30/95/81/1372309581.db2.gz LPBZGROPSMCUES-UHFFFAOYSA-N 3 2 325.460 3.081 20 0 EGADLP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210519445 1372371118 /nfs/dbraw/zinc/37/11/18/1372371118.db2.gz PKVHPBADMQSKSF-LBPRGKRZSA-N 2 2 338.377 3.279 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC001210519445 1372371125 /nfs/dbraw/zinc/37/11/25/1372371125.db2.gz PKVHPBADMQSKSF-LBPRGKRZSA-N 2 2 338.377 3.279 20 0 EGADLP C[NH+]1CCC(n2cc(Nc3ccc[nH+]c3N3CCCCC3)cn2)CC1 ZINC001210752094 1372419594 /nfs/dbraw/zinc/41/95/94/1372419594.db2.gz NOKUHGRUWPFJCJ-UHFFFAOYSA-N 2 2 340.475 3.279 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3ccc(Cn4cc[nH+]c4)cc3)c2)CC1 ZINC001212696810 1372755371 /nfs/dbraw/zinc/75/53/71/1372755371.db2.gz NMNPOTWCFMJDBB-UHFFFAOYSA-N 2 2 347.466 3.427 20 0 EGADLP Cc1ccc2c(Nc3ncccc3N3CC[NH+](C)CC3)cccc2[nH+]1 ZINC001212797015 1372774389 /nfs/dbraw/zinc/77/43/89/1372774389.db2.gz SXJRWUKAGWYWDH-UHFFFAOYSA-N 2 2 333.439 3.434 20 0 EGADLP [NH3+]CCc1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001216322628 1373300034 /nfs/dbraw/zinc/30/00/34/1373300034.db2.gz VZAMHPISRMPHOD-UHFFFAOYSA-N 2 2 331.379 3.091 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]Cc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001130001263 1373444450 /nfs/dbraw/zinc/44/44/50/1373444450.db2.gz IYXRQIXZRKLHSB-KRWDZBQOSA-N 2 2 348.878 3.030 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CCC1CCCCC1)n1cc[nH+]c1 ZINC001130001848 1373444773 /nfs/dbraw/zinc/44/47/73/1373444773.db2.gz ZCSJUPASOBPMEC-SFHVURJKSA-N 2 2 334.508 3.147 20 0 EGADLP CC(C)c1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001130266390 1373480988 /nfs/dbraw/zinc/48/09/88/1373480988.db2.gz WTNCYTRJJHYYCL-UHFFFAOYSA-N 2 2 336.439 3.206 20 0 EGADLP C[C@H]([NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(Cl)cc1 ZINC001130268607 1373482060 /nfs/dbraw/zinc/48/20/60/1373482060.db2.gz ASIPFWVPEWQSQC-LBPRGKRZSA-N 2 2 342.830 3.297 20 0 EGADLP [NH3+][C@@H](c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697331 1373490207 /nfs/dbraw/zinc/49/02/07/1373490207.db2.gz HEEGSTZVRQHOAQ-QZTJIDSGSA-N 2 2 334.423 3.107 20 0 EGADLP [NH3+][C@@H](c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)c1ccccc1 ZINC001217697331 1373490209 /nfs/dbraw/zinc/49/02/09/1373490209.db2.gz HEEGSTZVRQHOAQ-QZTJIDSGSA-N 2 2 334.423 3.107 20 0 EGADLP Cc1ccc([C@@H]2C[C@H]2c2nnc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)o2)cc1 ZINC001217704502 1373491902 /nfs/dbraw/zinc/49/19/02/1373491902.db2.gz GOUXAVCXAJQPEQ-BBWFWOEESA-N 2 2 338.455 3.196 20 0 EGADLP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC001218499155 1373627378 /nfs/dbraw/zinc/62/73/78/1373627378.db2.gz OUTVATJANKLQHT-MRXNPFEDSA-N 2 2 336.439 3.140 20 0 EGADLP Cc1ccccc1Oc1ccccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218851783 1373661197 /nfs/dbraw/zinc/66/11/97/1373661197.db2.gz UPJHKBPWMCKEJW-OAHLLOKOSA-N 2 2 336.395 3.019 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H]2CCc3ccc(F)cc32)c(C)[nH+]1 ZINC001131562997 1373721609 /nfs/dbraw/zinc/72/16/09/1373721609.db2.gz TZFIDBSIKATWCR-GOSISDBHSA-N 2 2 341.430 3.153 20 0 EGADLP COc1cc(F)ccc1-c1cccc(C[NH+]2CC3(C2)CC[NH2+]C3)c1 ZINC001222385905 1373831665 /nfs/dbraw/zinc/83/16/65/1373831665.db2.gz ZWLVPXCIDGAFLB-UHFFFAOYSA-N 2 2 326.415 3.297 20 0 EGADLP COC(=O)c1cccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222395095 1373834972 /nfs/dbraw/zinc/83/49/72/1373834972.db2.gz GUBFLFIMCLVTHG-HXUWFJFHSA-N 2 2 341.455 3.063 20 0 EGADLP COC(=O)c1cccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c21 ZINC001222395095 1373834976 /nfs/dbraw/zinc/83/49/76/1373834976.db2.gz GUBFLFIMCLVTHG-HXUWFJFHSA-N 2 2 341.455 3.063 20 0 EGADLP Cc1ccc(C[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC001131975718 1375077877 /nfs/dbraw/zinc/07/78/77/1375077877.db2.gz BUTWRLDFCPNMHL-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001131976406 1375079386 /nfs/dbraw/zinc/07/93/86/1375079386.db2.gz MYPDOGJWFGMSCX-UHFFFAOYSA-N 2 2 348.450 3.009 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCCC(C)(C)C ZINC001132195430 1375201074 /nfs/dbraw/zinc/20/10/74/1375201074.db2.gz OSRLEFAYNCJDHH-SJORKVTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCCC(C)(C)C ZINC001132195430 1375201078 /nfs/dbraw/zinc/20/10/78/1375201078.db2.gz OSRLEFAYNCJDHH-SJORKVTESA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1CCCCC1 ZINC001132222554 1375218991 /nfs/dbraw/zinc/21/89/91/1375218991.db2.gz ZQXULOLPZNCCOF-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1CCCCC1 ZINC001132222554 1375218997 /nfs/dbraw/zinc/21/89/97/1375218997.db2.gz ZQXULOLPZNCCOF-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCC1CCCCC1 ZINC001132222553 1375219188 /nfs/dbraw/zinc/21/91/88/1375219188.db2.gz ZQXULOLPZNCCOF-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCC1CCCCC1 ZINC001132222553 1375219193 /nfs/dbraw/zinc/21/91/93/1375219193.db2.gz ZQXULOLPZNCCOF-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001226251381 1375227362 /nfs/dbraw/zinc/22/73/62/1375227362.db2.gz RQYQMQAYYBMJGD-QZTJIDSGSA-N 2 2 340.471 3.240 20 0 EGADLP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)[NH+](C)C)cc1 ZINC001327061877 1388370852 /nfs/dbraw/zinc/37/08/52/1388370852.db2.gz MULJTWVBTLULDG-APWZRJJASA-N 2 2 342.487 3.062 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138750 1375395655 /nfs/dbraw/zinc/39/56/55/1375395655.db2.gz QHXHUTHAJBOXIE-GOSISDBHSA-N 2 2 340.471 3.074 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCCC1CCC1 ZINC001132545549 1375452701 /nfs/dbraw/zinc/45/27/01/1375452701.db2.gz CGFKYSOOFKRWEP-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCCC1CCC1 ZINC001132545549 1375452703 /nfs/dbraw/zinc/45/27/03/1375452703.db2.gz CGFKYSOOFKRWEP-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133270376 1375885809 /nfs/dbraw/zinc/88/58/09/1375885809.db2.gz JHEKACSPCNRESE-MYOVTOPRSA-N 2 2 346.519 3.081 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230627690 1376106423 /nfs/dbraw/zinc/10/64/23/1376106423.db2.gz DVHPXZMKJFXDSL-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001230627690 1376106429 /nfs/dbraw/zinc/10/64/29/1376106429.db2.gz DVHPXZMKJFXDSL-IBGZPJMESA-N 2 2 346.519 3.022 20 0 EGADLP c1c[nH+]c(-c2ccc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)cc2)[nH]1 ZINC001231084511 1376199843 /nfs/dbraw/zinc/19/98/43/1376199843.db2.gz MVEMHZIGIFASJB-MAEOIBBWSA-N 2 2 327.428 3.099 20 0 EGADLP CCc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)s1 ZINC001231499229 1376252403 /nfs/dbraw/zinc/25/24/03/1376252403.db2.gz KCQRKAKIKNFAHC-HOTGVXAUSA-N 2 2 327.497 3.269 20 0 EGADLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(CC)cn2)CC1 ZINC001231645999 1376290753 /nfs/dbraw/zinc/29/07/53/1376290753.db2.gz CYTNWBSKJSVTFV-UHFFFAOYSA-N 2 2 346.563 3.274 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc(C)n1 ZINC001231999585 1376376819 /nfs/dbraw/zinc/37/68/19/1376376819.db2.gz RTYUQVMMUQCKOQ-KDURUIRLSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc(C)n1 ZINC001231999585 1376376821 /nfs/dbraw/zinc/37/68/21/1376376821.db2.gz RTYUQVMMUQCKOQ-KDURUIRLSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc(C)n1 ZINC001231999585 1376376826 /nfs/dbraw/zinc/37/68/26/1376376826.db2.gz RTYUQVMMUQCKOQ-KDURUIRLSA-N 2 2 325.456 3.245 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc(C)n1 ZINC001231999585 1376376827 /nfs/dbraw/zinc/37/68/27/1376376827.db2.gz RTYUQVMMUQCKOQ-KDURUIRLSA-N 2 2 325.456 3.245 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ncc(Br)cc1C ZINC001232051712 1376391629 /nfs/dbraw/zinc/39/16/29/1376391629.db2.gz FJQSOVHELYQVQW-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ncc(Br)cc1C ZINC001232051712 1376391631 /nfs/dbraw/zinc/39/16/31/1376391631.db2.gz FJQSOVHELYQVQW-UHFFFAOYSA-N 2 2 328.298 3.316 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(Br)[nH]c4ccccc43)C[C@H]2C1 ZINC001232145305 1376408807 /nfs/dbraw/zinc/40/88/07/1376408807.db2.gz OFYUOZCJKBXMGG-CHWSQXEVSA-N 2 2 348.288 3.314 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143376 1376408986 /nfs/dbraw/zinc/40/89/86/1376408986.db2.gz CAGMXZPAFOHEIR-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143376 1376408987 /nfs/dbraw/zinc/40/89/87/1376408987.db2.gz CAGMXZPAFOHEIR-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143376 1376408989 /nfs/dbraw/zinc/40/89/89/1376408989.db2.gz CAGMXZPAFOHEIR-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(Br)[nH]c4ccccc43)C2)C1 ZINC001232143376 1376408994 /nfs/dbraw/zinc/40/89/94/1376408994.db2.gz CAGMXZPAFOHEIR-QGZVFWFLSA-N 2 2 348.288 3.458 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1CCCCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227311 1376424221 /nfs/dbraw/zinc/42/42/21/1376424221.db2.gz FBWOEUQVQFBRET-HZPDHXFCSA-N 2 2 334.508 3.186 20 0 EGADLP CCOc1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001232311036 1376438285 /nfs/dbraw/zinc/43/82/85/1376438285.db2.gz ICLGNZPUHKPQNC-QGZVFWFLSA-N 2 2 327.428 3.145 20 0 EGADLP CCOc1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1C ZINC001232311036 1376438287 /nfs/dbraw/zinc/43/82/87/1376438287.db2.gz ICLGNZPUHKPQNC-QGZVFWFLSA-N 2 2 327.428 3.145 20 0 EGADLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3Cl)C[C@@H]2C1 ZINC001232596708 1376487044 /nfs/dbraw/zinc/48/70/44/1376487044.db2.gz RTAWWMJERWUIPT-CALCHBBNSA-N 2 2 344.890 3.299 20 0 EGADLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3Cl)C[C@@H]2C1 ZINC001232596708 1376487046 /nfs/dbraw/zinc/48/70/46/1376487046.db2.gz RTAWWMJERWUIPT-CALCHBBNSA-N 2 2 344.890 3.299 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)C[C@@H]2C1 ZINC001232596708 1376487050 /nfs/dbraw/zinc/48/70/50/1376487050.db2.gz RTAWWMJERWUIPT-CALCHBBNSA-N 2 2 344.890 3.299 20 0 EGADLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3Cl)C[C@@H]2C1 ZINC001232596708 1376487053 /nfs/dbraw/zinc/48/70/53/1376487053.db2.gz RTAWWMJERWUIPT-CALCHBBNSA-N 2 2 344.890 3.299 20 0 EGADLP Cc1cc(N2CC[NH+](Cc3cccc4ncsc43)CC2)nc(C)[nH+]1 ZINC001232734179 1376509856 /nfs/dbraw/zinc/50/98/56/1376509856.db2.gz WRDSFPZKUMNZNZ-UHFFFAOYSA-N 2 2 339.468 3.025 20 0 EGADLP CN(C)c1ccc(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)n1 ZINC001233119324 1376572081 /nfs/dbraw/zinc/57/20/81/1376572081.db2.gz CPAUQWFKVFHJQW-UHFFFAOYSA-N 2 2 334.483 3.126 20 0 EGADLP CN(C)c1ccc(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(F)n1 ZINC001233119324 1376572085 /nfs/dbraw/zinc/57/20/85/1376572085.db2.gz CPAUQWFKVFHJQW-UHFFFAOYSA-N 2 2 334.483 3.126 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544175 1376584969 /nfs/dbraw/zinc/58/49/69/1376584969.db2.gz DHGCIHZYKHZWEV-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544175 1376584973 /nfs/dbraw/zinc/58/49/73/1376584973.db2.gz DHGCIHZYKHZWEV-UONOGXRCSA-N 2 2 348.878 3.069 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)s1 ZINC001134548505 1376586186 /nfs/dbraw/zinc/58/61/86/1376586186.db2.gz HCHAALVQRHMMMF-CHWSQXEVSA-N 2 2 348.516 3.094 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)s1 ZINC001134548505 1376586205 /nfs/dbraw/zinc/58/62/05/1376586205.db2.gz HCHAALVQRHMMMF-CHWSQXEVSA-N 2 2 348.516 3.094 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)sn1 ZINC001233310555 1376608969 /nfs/dbraw/zinc/60/89/69/1376608969.db2.gz LNWLBXOVGXZBTL-QZTJIDSGSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCC(C)C)c[nH+]1 ZINC001134730010 1376682439 /nfs/dbraw/zinc/68/24/39/1376682439.db2.gz RRMKYTHLTFQPJI-CVEARBPZSA-N 2 2 336.524 3.236 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(C)(C)C)c[nH+]1 ZINC001134729123 1376682640 /nfs/dbraw/zinc/68/26/40/1376682640.db2.gz FUQVONOHYXNYEY-GJZGRUSLSA-N 2 2 336.524 3.236 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134741429 1376691219 /nfs/dbraw/zinc/69/12/19/1376691219.db2.gz WZESTJHYXNCNHI-UONOGXRCSA-N 2 2 334.439 3.189 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235631957 1376879623 /nfs/dbraw/zinc/87/96/23/1376879623.db2.gz CPBIUSAKDLSQSQ-KAGICYHLSA-N 2 2 346.519 3.359 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001235631957 1376879636 /nfs/dbraw/zinc/87/96/36/1376879636.db2.gz CPBIUSAKDLSQSQ-KAGICYHLSA-N 2 2 346.519 3.359 20 0 EGADLP CC(C)=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135097813 1376896163 /nfs/dbraw/zinc/89/61/63/1376896163.db2.gz QQRJTTMCKOOQHM-IRXDYDNUSA-N 2 2 340.471 3.325 20 0 EGADLP Cc1cc(Cl)c(C[N@@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)c(Cl)c1 ZINC001236077800 1376931969 /nfs/dbraw/zinc/93/19/69/1376931969.db2.gz CQLQQBYTRUZXTP-AWEZNQCLSA-N 2 2 342.314 3.157 20 0 EGADLP Cc1cc(Cl)c(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)c(Cl)c1 ZINC001236077800 1376931974 /nfs/dbraw/zinc/93/19/74/1376931974.db2.gz CQLQQBYTRUZXTP-AWEZNQCLSA-N 2 2 342.314 3.157 20 0 EGADLP CCCC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC[NH2+]1 ZINC001236139977 1376936141 /nfs/dbraw/zinc/93/61/41/1376936141.db2.gz BQVUYFGXQITODX-INIZCTEOSA-N 2 2 332.879 3.490 20 0 EGADLP Cc1ncc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001237563404 1376980961 /nfs/dbraw/zinc/98/09/61/1376980961.db2.gz GHATYBWXESVKGP-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP Cc1ncc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Br ZINC001237563404 1376980965 /nfs/dbraw/zinc/98/09/65/1376980965.db2.gz GHATYBWXESVKGP-UHFFFAOYSA-N 2 2 340.309 3.457 20 0 EGADLP COCOc1ccc(C)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244458254 1377037127 /nfs/dbraw/zinc/03/71/27/1377037127.db2.gz ZMWZKWFHWIEVTJ-GOSISDBHSA-N 2 2 326.440 3.178 20 0 EGADLP COCOc1ccc(C)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001244458254 1377037133 /nfs/dbraw/zinc/03/71/33/1377037133.db2.gz ZMWZKWFHWIEVTJ-GOSISDBHSA-N 2 2 326.440 3.178 20 0 EGADLP CCCC[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246380424 1377051502 /nfs/dbraw/zinc/05/15/02/1377051502.db2.gz HCGJRZVKWWOWKV-MOPGFXCFSA-N 3 2 347.522 3.391 20 0 EGADLP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5ncccc45)C[C@H]3C2)nc1 ZINC001137626027 1377574912 /nfs/dbraw/zinc/57/49/12/1377574912.db2.gz YHLJCYCZGKLTFH-OALUTQOASA-N 2 2 344.462 3.194 20 0 EGADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1c[nH]c3ccc(Cl)cc13)CC2 ZINC001137711682 1377602555 /nfs/dbraw/zinc/60/25/55/1377602555.db2.gz YLMQYYFBWFHZBQ-UHFFFAOYSA-N 2 2 346.862 3.451 20 0 EGADLP COC(=O)c1ccccc1C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001137792931 1377617516 /nfs/dbraw/zinc/61/75/16/1377617516.db2.gz VRMTULDVOYKEAQ-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP COC(=O)c1ccccc1C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001137792931 1377617517 /nfs/dbraw/zinc/61/75/17/1377617517.db2.gz VRMTULDVOYKEAQ-UHFFFAOYSA-N 2 2 330.472 3.312 20 0 EGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCc2ccc(F)cc2F)cc1 ZINC001327387035 1388510456 /nfs/dbraw/zinc/51/04/56/1388510456.db2.gz PNBCCHBSFFFKLD-HKUYNNGSSA-N 2 2 334.385 3.382 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001138140542 1377684251 /nfs/dbraw/zinc/68/42/51/1377684251.db2.gz PQCZMYYMDLBEBC-UHFFFAOYSA-N 2 2 335.492 3.113 20 0 EGADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001138140542 1377684254 /nfs/dbraw/zinc/68/42/54/1377684254.db2.gz PQCZMYYMDLBEBC-UHFFFAOYSA-N 2 2 335.492 3.113 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138246634 1377693743 /nfs/dbraw/zinc/69/37/43/1377693743.db2.gz QPXOBFZSPOQNLC-AWEZNQCLSA-N 2 2 346.814 3.425 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138246634 1377693744 /nfs/dbraw/zinc/69/37/44/1377693744.db2.gz QPXOBFZSPOQNLC-AWEZNQCLSA-N 2 2 346.814 3.425 20 0 EGADLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(C)s1 ZINC001138569397 1377744321 /nfs/dbraw/zinc/74/43/21/1377744321.db2.gz HVMGPDQAFZVECH-KDURUIRLSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(C)s1 ZINC001138569397 1377744322 /nfs/dbraw/zinc/74/43/22/1377744322.db2.gz HVMGPDQAFZVECH-KDURUIRLSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c(C)s1 ZINC001138569397 1377744323 /nfs/dbraw/zinc/74/43/23/1377744323.db2.gz HVMGPDQAFZVECH-KDURUIRLSA-N 2 2 327.497 3.324 20 0 EGADLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c(C)s1 ZINC001138569397 1377744324 /nfs/dbraw/zinc/74/43/24/1377744324.db2.gz HVMGPDQAFZVECH-KDURUIRLSA-N 2 2 327.497 3.324 20 0 EGADLP CNc1ncccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138695264 1377769987 /nfs/dbraw/zinc/76/99/87/1377769987.db2.gz ZXBQMMCLSCTGRR-AZUAARDMSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138695264 1377769991 /nfs/dbraw/zinc/76/99/91/1377769991.db2.gz ZXBQMMCLSCTGRR-AZUAARDMSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695264 1377769994 /nfs/dbraw/zinc/76/99/94/1377769994.db2.gz ZXBQMMCLSCTGRR-AZUAARDMSA-N 2 2 336.483 3.077 20 0 EGADLP CNc1ncccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138695264 1377769998 /nfs/dbraw/zinc/76/99/98/1377769998.db2.gz ZXBQMMCLSCTGRR-AZUAARDMSA-N 2 2 336.483 3.077 20 0 EGADLP Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364492 1377874600 /nfs/dbraw/zinc/87/46/00/1377874600.db2.gz TYBORPKMHOVREE-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139364492 1377874601 /nfs/dbraw/zinc/87/46/01/1377874601.db2.gz TYBORPKMHOVREE-LJQANCHMSA-N 2 2 334.423 3.229 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(O)cc2C)CC1 ZINC001139715115 1377940381 /nfs/dbraw/zinc/94/03/81/1377940381.db2.gz UAESIKRQRFULGU-SFHVURJKSA-N 2 2 332.488 3.084 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)cc(O)cc2C)CC1 ZINC001139715115 1377940383 /nfs/dbraw/zinc/94/03/83/1377940383.db2.gz UAESIKRQRFULGU-SFHVURJKSA-N 2 2 332.488 3.084 20 0 EGADLP C[C@H]1CC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139763633 1377947358 /nfs/dbraw/zinc/94/73/58/1377947358.db2.gz QNJXBODURPKRLB-ROUUACIJSA-N 2 2 332.488 3.018 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC001139763633 1377947364 /nfs/dbraw/zinc/94/73/64/1377947364.db2.gz QNJXBODURPKRLB-ROUUACIJSA-N 2 2 332.488 3.018 20 0 EGADLP c1cc(C[NH+]2CCCCCCC2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139763466 1377947531 /nfs/dbraw/zinc/94/75/31/1377947531.db2.gz OIDHPXGGXASWSW-UHFFFAOYSA-N 2 2 332.488 3.164 20 0 EGADLP c1cc(C[N@@H+]2CCC3(CCCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139764000 1377948145 /nfs/dbraw/zinc/94/81/45/1377948145.db2.gz YNIIVSFIPKQYGX-UHFFFAOYSA-N 2 2 344.499 3.164 20 0 EGADLP c1cc(C[N@H+]2CCC3(CCCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC001139764000 1377948146 /nfs/dbraw/zinc/94/81/46/1377948146.db2.gz YNIIVSFIPKQYGX-UHFFFAOYSA-N 2 2 344.499 3.164 20 0 EGADLP C[C@@H]1CCCCC[N@@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139766499 1377948168 /nfs/dbraw/zinc/94/81/68/1377948168.db2.gz IUCTYGOAWDPPGN-GOSISDBHSA-N 2 2 332.488 3.162 20 0 EGADLP C[C@@H]1CCCCC[N@H+]1Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139766499 1377948169 /nfs/dbraw/zinc/94/81/69/1377948169.db2.gz IUCTYGOAWDPPGN-GOSISDBHSA-N 2 2 332.488 3.162 20 0 EGADLP C[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CCCC1 ZINC001139764100 1377948246 /nfs/dbraw/zinc/94/82/46/1377948246.db2.gz FCTNIFFLXYJGCM-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP C[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC1CCCC1 ZINC001139764100 1377948247 /nfs/dbraw/zinc/94/82/47/1377948247.db2.gz FCTNIFFLXYJGCM-UHFFFAOYSA-N 2 2 332.488 3.020 20 0 EGADLP Fc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835595 1377959814 /nfs/dbraw/zinc/95/98/14/1377959814.db2.gz DZTQFVPHGLHTIH-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835595 1377959815 /nfs/dbraw/zinc/95/98/15/1377959815.db2.gz DZTQFVPHGLHTIH-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835595 1377959816 /nfs/dbraw/zinc/95/98/16/1377959816.db2.gz DZTQFVPHGLHTIH-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP Fc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001139835595 1377959817 /nfs/dbraw/zinc/95/98/17/1377959817.db2.gz DZTQFVPHGLHTIH-MOPGFXCFSA-N 2 2 325.431 3.175 20 0 EGADLP CC[N@H+](Cc1cccc(Br)c1OC)C1CC[NH+](C)CC1 ZINC001140153860 1378021351 /nfs/dbraw/zinc/02/13/51/1378021351.db2.gz FDTDGLFUODCVSN-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP CC[N@@H+](Cc1cccc(Br)c1OC)C1CC[NH+](C)CC1 ZINC001140153860 1378021352 /nfs/dbraw/zinc/02/13/52/1378021352.db2.gz FDTDGLFUODCVSN-UHFFFAOYSA-N 2 2 341.293 3.374 20 0 EGADLP Oc1cnccc1C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001140280360 1378039934 /nfs/dbraw/zinc/03/99/34/1378039934.db2.gz HZDGVQPSVDNTNW-QEUVDIPISA-N 2 2 339.483 3.182 20 0 EGADLP Oc1cnccc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001140280360 1378039937 /nfs/dbraw/zinc/03/99/37/1378039937.db2.gz HZDGVQPSVDNTNW-QEUVDIPISA-N 2 2 339.483 3.182 20 0 EGADLP Oc1cnccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140280360 1378039940 /nfs/dbraw/zinc/03/99/40/1378039940.db2.gz HZDGVQPSVDNTNW-QEUVDIPISA-N 2 2 339.483 3.182 20 0 EGADLP Oc1cnccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140280360 1378039945 /nfs/dbraw/zinc/03/99/45/1378039945.db2.gz HZDGVQPSVDNTNW-QEUVDIPISA-N 2 2 339.483 3.182 20 0 EGADLP Cc1ccc2n[nH]c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001140329934 1378047151 /nfs/dbraw/zinc/04/71/51/1378047151.db2.gz FPOZJMQKGCBVEG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2n[nH]c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001140329934 1378047152 /nfs/dbraw/zinc/04/71/52/1378047152.db2.gz FPOZJMQKGCBVEG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2n[nH]c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001140329934 1378047154 /nfs/dbraw/zinc/04/71/54/1378047154.db2.gz FPOZJMQKGCBVEG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1ccc2n[nH]c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001140329934 1378047156 /nfs/dbraw/zinc/04/71/56/1378047156.db2.gz FPOZJMQKGCBVEG-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(OC)c(OCC4CC4)c3)C[C@@H]2C1 ZINC001140491571 1378072201 /nfs/dbraw/zinc/07/22/01/1378072201.db2.gz GWYJBAUIWPTSME-OALUTQOASA-N 2 2 344.499 3.258 20 0 EGADLP CC(C)(C)OC(=O)NC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140799553 1378139456 /nfs/dbraw/zinc/13/94/56/1378139456.db2.gz FTFYMKKULKVALU-UHFFFAOYSA-N 2 2 330.432 3.052 20 0 EGADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCN(c2noc3ccccc32)CC1 ZINC001140799630 1378139824 /nfs/dbraw/zinc/13/98/24/1378139824.db2.gz JXPCLXCEAZGTQP-UHFFFAOYSA-N 2 2 333.395 3.026 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001280823174 1378382935 /nfs/dbraw/zinc/38/29/35/1378382935.db2.gz SXGDBQZFBWOIEQ-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001280823174 1378382936 /nfs/dbraw/zinc/38/29/36/1378382936.db2.gz SXGDBQZFBWOIEQ-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001280823174 1378382937 /nfs/dbraw/zinc/38/29/37/1378382937.db2.gz SXGDBQZFBWOIEQ-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001280823174 1378382938 /nfs/dbraw/zinc/38/29/38/1378382938.db2.gz SXGDBQZFBWOIEQ-OAHLLOKOSA-N 2 2 346.450 3.023 20 0 EGADLP C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc3[nH+]ccn3c2)CC1 ZINC001143028880 1378528936 /nfs/dbraw/zinc/52/89/36/1378528936.db2.gz KOZPPSWSDIKWDA-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc3[nH+]ccn3c2)CC1 ZINC001143028880 1378528937 /nfs/dbraw/zinc/52/89/37/1378528937.db2.gz KOZPPSWSDIKWDA-UHFFFAOYSA-N 2 2 334.467 3.431 20 0 EGADLP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1OC(F)(F)F ZINC001143868140 1378654857 /nfs/dbraw/zinc/65/48/57/1378654857.db2.gz PJAVIJVHYGZDPV-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1OC(F)(F)F ZINC001143868140 1378654859 /nfs/dbraw/zinc/65/48/59/1378654859.db2.gz PJAVIJVHYGZDPV-UHFFFAOYSA-N 2 2 332.366 3.120 20 0 EGADLP Cc1c(O)cccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001144111031 1378683020 /nfs/dbraw/zinc/68/30/20/1378683020.db2.gz QZZUFWIJXCAOCU-IAGOWNOFSA-N 2 2 328.481 3.326 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144356774 1378720331 /nfs/dbraw/zinc/72/03/31/1378720331.db2.gz LSUOEOQNVQNSJP-UHFFFAOYSA-N 2 2 333.398 3.186 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144356774 1378720332 /nfs/dbraw/zinc/72/03/32/1378720332.db2.gz LSUOEOQNVQNSJP-UHFFFAOYSA-N 2 2 333.398 3.186 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(F)c1 ZINC001144447669 1378733142 /nfs/dbraw/zinc/73/31/42/1378733142.db2.gz JQGARIVGXVWPDE-ZWKOTPCHSA-N 2 2 348.462 3.451 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(F)c1 ZINC001144447669 1378733143 /nfs/dbraw/zinc/73/31/43/1378733143.db2.gz JQGARIVGXVWPDE-ZWKOTPCHSA-N 2 2 348.462 3.451 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(F)c1 ZINC001144447669 1378733144 /nfs/dbraw/zinc/73/31/44/1378733144.db2.gz JQGARIVGXVWPDE-ZWKOTPCHSA-N 2 2 348.462 3.451 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001144447669 1378733145 /nfs/dbraw/zinc/73/31/45/1378733145.db2.gz JQGARIVGXVWPDE-ZWKOTPCHSA-N 2 2 348.462 3.451 20 0 EGADLP CCC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083295 1380201360 /nfs/dbraw/zinc/20/13/60/1380201360.db2.gz PUOGGOXVGRJSES-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083295 1380201363 /nfs/dbraw/zinc/20/13/63/1380201363.db2.gz PUOGGOXVGRJSES-HNGSOEQISA-N 2 2 346.519 3.019 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083444 1380202372 /nfs/dbraw/zinc/20/23/72/1380202372.db2.gz WNRHTDCXPITVKV-FKDHNMLASA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001154083444 1380202377 /nfs/dbraw/zinc/20/23/77/1380202377.db2.gz WNRHTDCXPITVKV-FKDHNMLASA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C/CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083444 1380202381 /nfs/dbraw/zinc/20/23/81/1380202381.db2.gz WNRHTDCXPITVKV-FKDHNMLASA-N 2 2 346.519 3.006 20 0 EGADLP CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001154083444 1380202386 /nfs/dbraw/zinc/20/23/86/1380202386.db2.gz WNRHTDCXPITVKV-FKDHNMLASA-N 2 2 346.519 3.006 20 0 EGADLP C[NH+]1CCC(c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2)CC1 ZINC001154521585 1380296553 /nfs/dbraw/zinc/29/65/53/1380296553.db2.gz ITEYHHPWNLORJV-UHFFFAOYSA-N 2 2 334.423 3.396 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@H]3C[NH2+]Cc4ccsc43)nc[nH+]2)C1 ZINC001155566008 1380469407 /nfs/dbraw/zinc/46/94/07/1380469407.db2.gz XHCKILGTVLJPSX-JSGCOSHPSA-N 2 2 329.473 3.031 20 0 EGADLP Cc1nc2cc(Cl)ccc2c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156181500 1380537601 /nfs/dbraw/zinc/53/76/01/1380537601.db2.gz DNSFBZZTNQATQN-UHFFFAOYSA-N 2 2 347.894 3.030 20 0 EGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001156773823 1380631995 /nfs/dbraw/zinc/63/19/95/1380631995.db2.gz KAVMXOZEARAZNG-BQYQJAHWSA-N 2 2 331.460 3.061 20 0 EGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(C[NH3+])c3)n2)C1 ZINC001328130799 1388679845 /nfs/dbraw/zinc/67/98/45/1388679845.db2.gz HEQDILGOOVGRMV-CYBMUJFWSA-N 2 2 344.484 3.086 20 0 EGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(C[NH3+])c3)n2)C1 ZINC001328130799 1388679849 /nfs/dbraw/zinc/67/98/49/1388679849.db2.gz HEQDILGOOVGRMV-CYBMUJFWSA-N 2 2 344.484 3.086 20 0 EGADLP CC(C)=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158467624 1381254771 /nfs/dbraw/zinc/25/47/71/1381254771.db2.gz IMTDQNQIQXRIPX-IAGOWNOFSA-N 2 2 344.503 3.109 20 0 EGADLP CC(C)=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001158467624 1381254778 /nfs/dbraw/zinc/25/47/78/1381254778.db2.gz IMTDQNQIQXRIPX-IAGOWNOFSA-N 2 2 344.503 3.109 20 0 EGADLP COc1ccc([C@@H]2C[C@H]2C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cc1 ZINC001328329942 1388724120 /nfs/dbraw/zinc/72/41/20/1388724120.db2.gz PLBBWEAUAYHTNF-DLBZAZTESA-N 2 2 348.406 3.327 20 0 EGADLP [NH3+][C@H]1CCCN(c2ccc(Nc3ccc(N4CCCC4)[nH+]c3)cc2)C1 ZINC001159982760 1381958271 /nfs/dbraw/zinc/95/82/71/1381958271.db2.gz XOCVREFPHHTSJM-INIZCTEOSA-N 2 2 337.471 3.353 20 0 EGADLP Fc1cccc(O[C@@H]2CC[NH2+]C2)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001160127757 1382005894 /nfs/dbraw/zinc/00/58/94/1382005894.db2.gz CYFRDICHGLXFNJ-CQSZACIVSA-N 2 2 342.418 3.305 20 0 EGADLP COc1cc(Nc2cc(F)ccc2OC2CC[NH2+]CC2)cc(C)[nH+]1 ZINC001160134027 1382010372 /nfs/dbraw/zinc/01/03/72/1382010372.db2.gz DLPVCUNBGIYNEZ-UHFFFAOYSA-N 2 2 331.391 3.412 20 0 EGADLP c1cc2c(c(Nc3ccc(N4CCCCC4)[nH+]c3)c1)[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001160394791 1382092473 /nfs/dbraw/zinc/09/24/73/1382092473.db2.gz NFIIZEGOWGWPRJ-QAPCUYQASA-N 2 2 336.439 3.263 20 0 EGADLP CC(C)=CC[N@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665605 1382164932 /nfs/dbraw/zinc/16/49/32/1382164932.db2.gz AYPPEKWKTZPEGC-UHFFFAOYSA-N 2 2 338.455 3.053 20 0 EGADLP CC(C)=CC[N@@H+]1CC=C(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001160665605 1382164937 /nfs/dbraw/zinc/16/49/37/1382164937.db2.gz AYPPEKWKTZPEGC-UHFFFAOYSA-N 2 2 338.455 3.053 20 0 EGADLP Cc1nc(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)cc(C(C)C)[nH+]1 ZINC001161119341 1382306684 /nfs/dbraw/zinc/30/66/84/1382306684.db2.gz XFVMEQIARDNPIV-UHFFFAOYSA-N 2 2 332.492 3.400 20 0 EGADLP Cc1cc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)nc(C2CC2)[nH+]1 ZINC001161137776 1382315797 /nfs/dbraw/zinc/31/57/97/1382315797.db2.gz WMARWPIDOVBWSS-UHFFFAOYSA-N 2 2 338.455 3.445 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434183 1382408733 /nfs/dbraw/zinc/40/87/33/1382408733.db2.gz NOSMLJDLFOXDMX-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001161434183 1382408735 /nfs/dbraw/zinc/40/87/35/1382408735.db2.gz NOSMLJDLFOXDMX-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434183 1382408738 /nfs/dbraw/zinc/40/87/38/1382408738.db2.gz NOSMLJDLFOXDMX-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001161434183 1382408740 /nfs/dbraw/zinc/40/87/40/1382408740.db2.gz NOSMLJDLFOXDMX-QGZVFWFLSA-N 2 2 346.519 3.163 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001161553552 1382437991 /nfs/dbraw/zinc/43/79/91/1382437991.db2.gz FMDROEIRWMAXPB-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CC2CCCCCC2)CC1 ZINC001161553552 1382437997 /nfs/dbraw/zinc/43/79/97/1382437997.db2.gz FMDROEIRWMAXPB-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP Cc1cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)nc(C2CC2)[nH+]1 ZINC001162198036 1382654991 /nfs/dbraw/zinc/65/49/91/1382654991.db2.gz PYFQZIWDCOSTCU-IYARVYRRSA-N 2 2 337.471 3.334 20 0 EGADLP C[N@@H+]1CCO[C@H](CNc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)C1 ZINC001162683891 1382832283 /nfs/dbraw/zinc/83/22/83/1382832283.db2.gz OMRRCGBZLRMKNV-GFCCVEGCSA-N 2 2 343.393 3.112 20 0 EGADLP C[N@H+]1CCO[C@H](CNc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)C1 ZINC001162683891 1382832290 /nfs/dbraw/zinc/83/22/90/1382832290.db2.gz OMRRCGBZLRMKNV-GFCCVEGCSA-N 2 2 343.393 3.112 20 0 EGADLP COc1cccc2c(NCC[C@H]3C[NH2+]Cc4cccn4C3)cc[nH+]c12 ZINC001163062628 1382958671 /nfs/dbraw/zinc/95/86/71/1382958671.db2.gz AEJUEIYTJSXVPO-HNNXBMFYSA-N 2 2 336.439 3.267 20 0 EGADLP c1[nH+]c2cc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)ccc2n1-c1ccccc1 ZINC001163170351 1382982829 /nfs/dbraw/zinc/98/28/29/1382982829.db2.gz DLUKLWNYGANPIP-FQELHTAISA-N 2 2 348.450 3.062 20 0 EGADLP COc1ccc2cc[nH+]c(N3CCN(c4cccc(C)[nH+]4)CC3)c2c1 ZINC001163665409 1383099013 /nfs/dbraw/zinc/09/90/13/1383099013.db2.gz FQXLFULJINCGAZ-UHFFFAOYSA-N 2 2 334.423 3.273 20 0 EGADLP CCCN(CCC)c1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)nc[nH+]1 ZINC001165323563 1383272919 /nfs/dbraw/zinc/27/29/19/1383272919.db2.gz LNLBFGQSJXODEX-SFHVURJKSA-N 2 2 345.535 3.462 20 0 EGADLP CCCN(CCC)c1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)[nH+]cn1 ZINC001165323563 1383272924 /nfs/dbraw/zinc/27/29/24/1383272924.db2.gz LNLBFGQSJXODEX-SFHVURJKSA-N 2 2 345.535 3.462 20 0 EGADLP CCCC[NH2+]CC1(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001165637220 1383318456 /nfs/dbraw/zinc/31/84/56/1383318456.db2.gz ILOVJVFIJQJSIW-KRWDZBQOSA-N 2 2 334.508 3.147 20 0 EGADLP CC(C)C[C@@H](C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)n1cc[nH+]c1 ZINC001165637218 1383318689 /nfs/dbraw/zinc/31/86/89/1383318689.db2.gz IJNHIAKKPKPSCE-SFHVURJKSA-N 2 2 346.519 3.147 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2(C[NH2+]CCC3CC3)CC2)c(C)[nH+]1 ZINC001166295523 1383409590 /nfs/dbraw/zinc/40/95/90/1383409590.db2.gz XTNBOWPOMPWXLL-UHFFFAOYSA-N 2 2 329.488 3.297 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+]CC2(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001167532577 1383659264 /nfs/dbraw/zinc/65/92/64/1383659264.db2.gz UJBAVJAGQBXIJP-IRXDYDNUSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@H]1CCCC[N@@H+]1CCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001167752853 1383730290 /nfs/dbraw/zinc/73/02/90/1383730290.db2.gz YQGLUIOJOLKXOQ-HNNXBMFYSA-N 2 2 327.476 3.372 20 0 EGADLP C[C@H]1CCCC[N@H+]1CCCNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001167752853 1383730292 /nfs/dbraw/zinc/73/02/92/1383730292.db2.gz YQGLUIOJOLKXOQ-HNNXBMFYSA-N 2 2 327.476 3.372 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]CCC2=CCCCC2)CC1 ZINC001167900252 1383767329 /nfs/dbraw/zinc/76/73/29/1383767329.db2.gz DPZQLIZHJAJHPE-UHFFFAOYSA-N 2 2 344.503 3.027 20 0 EGADLP CC(F)(F)c1ncncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981809 1383786867 /nfs/dbraw/zinc/78/68/67/1383786867.db2.gz LCOPTHNWDSYBGG-MQVJKMGUSA-N 2 2 336.430 3.083 20 0 EGADLP CC(F)(F)c1ncncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981809 1383786869 /nfs/dbraw/zinc/78/68/69/1383786869.db2.gz LCOPTHNWDSYBGG-MQVJKMGUSA-N 2 2 336.430 3.083 20 0 EGADLP [NH3+]CCc1cn(-c2ccc(F)c(-n3cc[nH+]c3)c2)c2ccc(O)cc12 ZINC001167986640 1383788304 /nfs/dbraw/zinc/78/83/04/1383788304.db2.gz CGPSDBZNKPOVDY-UHFFFAOYSA-N 2 2 336.370 3.162 20 0 EGADLP C[C@H]1CC([N@@H+]2CC[C@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063907 1383808239 /nfs/dbraw/zinc/80/82/39/1383808239.db2.gz NVVMPPJMHQUUPC-ZULIPRJHSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@H]1CC([N@H+]2CC[C@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063907 1383808241 /nfs/dbraw/zinc/80/82/41/1383808241.db2.gz NVVMPPJMHQUUPC-ZULIPRJHSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063908 1383808438 /nfs/dbraw/zinc/80/84/38/1383808438.db2.gz NVVMPPJMHQUUPC-ZZEDZQHJSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3COC[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063908 1383808441 /nfs/dbraw/zinc/80/84/41/1383808441.db2.gz NVVMPPJMHQUUPC-ZZEDZQHJSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063908 1383808445 /nfs/dbraw/zinc/80/84/45/1383808445.db2.gz NVVMPPJMHQUUPC-ZZEDZQHJSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063908 1383808446 /nfs/dbraw/zinc/80/84/46/1383808446.db2.gz NVVMPPJMHQUUPC-ZZEDZQHJSA-N 2 2 328.500 3.396 20 0 EGADLP CC[C@@H](CSC)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001168564220 1383937655 /nfs/dbraw/zinc/93/76/55/1383937655.db2.gz SGHHAPNBXAYTAO-SFHVURJKSA-N 2 2 335.561 3.272 20 0 EGADLP CC[C@@H](CSC)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001168564220 1383937658 /nfs/dbraw/zinc/93/76/58/1383937658.db2.gz SGHHAPNBXAYTAO-SFHVURJKSA-N 2 2 335.561 3.272 20 0 EGADLP COc1ccc([C@@H]2C[C@@H]([NH2+]CC[NH+]3CCCCCC3)CCO2)cc1 ZINC001168582396 1383941683 /nfs/dbraw/zinc/94/16/83/1383941683.db2.gz DRLIOOLLVWAZIB-ICSRJNTNSA-N 2 2 332.488 3.381 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609310 1383947783 /nfs/dbraw/zinc/94/77/83/1383947783.db2.gz GHXJGNAUDBHQDB-SVFBPWRDSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CCO2)cc1 ZINC001168609310 1383947787 /nfs/dbraw/zinc/94/77/87/1383947787.db2.gz GHXJGNAUDBHQDB-SVFBPWRDSA-N 2 2 344.499 3.379 20 0 EGADLP Cc1cc(N2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)nc(C)[nH+]1 ZINC001168736752 1383986012 /nfs/dbraw/zinc/98/60/12/1383986012.db2.gz ZWDFOAKLFOTXMM-MRXNPFEDSA-N 2 2 342.874 3.036 20 0 EGADLP CCCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966346 1384065413 /nfs/dbraw/zinc/06/54/13/1384065413.db2.gz HGNKBAKCYYNDFJ-SFHVURJKSA-N 3 2 341.584 3.099 20 0 EGADLP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966346 1384065436 /nfs/dbraw/zinc/06/54/36/1384065436.db2.gz HGNKBAKCYYNDFJ-SFHVURJKSA-N 3 2 341.584 3.099 20 0 EGADLP CCCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966346 1384065442 /nfs/dbraw/zinc/06/54/42/1384065442.db2.gz HGNKBAKCYYNDFJ-SFHVURJKSA-N 3 2 341.584 3.099 20 0 EGADLP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307966346 1384065444 /nfs/dbraw/zinc/06/54/44/1384065444.db2.gz HGNKBAKCYYNDFJ-SFHVURJKSA-N 3 2 341.584 3.099 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001169107635 1384107926 /nfs/dbraw/zinc/10/79/26/1384107926.db2.gz INNUUNZPWKKXPW-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(F)cc1Br)C2 ZINC001169107635 1384107927 /nfs/dbraw/zinc/10/79/27/1384107927.db2.gz INNUUNZPWKKXPW-ZSOGYDGISA-N 2 2 327.241 3.303 20 0 EGADLP C[C@@H](O)c1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC001308359847 1384121694 /nfs/dbraw/zinc/12/16/94/1384121694.db2.gz JNQMCHRDMVXWHU-CHWSQXEVSA-N 2 2 328.441 3.233 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001169240822 1384126277 /nfs/dbraw/zinc/12/62/77/1384126277.db2.gz LLLIPYKJWBSCIO-UHFFFAOYSA-N 3 2 335.923 3.160 20 0 EGADLP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC001308640562 1384138428 /nfs/dbraw/zinc/13/84/28/1384138428.db2.gz YCQDGEZTWLXJIY-LJQANCHMSA-N 2 2 346.515 3.261 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCC(C)CC2)cc1OC ZINC001308863507 1384155726 /nfs/dbraw/zinc/15/57/26/1384155726.db2.gz BXWHCVRYUJISAE-IAGOWNOFSA-N 2 2 334.504 3.345 20 0 EGADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078468 1384230272 /nfs/dbraw/zinc/23/02/72/1384230272.db2.gz SGMALQQQGRPMDL-UXHICEINSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078468 1384230274 /nfs/dbraw/zinc/23/02/74/1384230274.db2.gz SGMALQQQGRPMDL-UXHICEINSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078468 1384230275 /nfs/dbraw/zinc/23/02/75/1384230275.db2.gz SGMALQQQGRPMDL-UXHICEINSA-N 2 2 340.552 3.262 20 0 EGADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)CCCC(C)C)C2)C1 ZINC001170078468 1384230279 /nfs/dbraw/zinc/23/02/79/1384230279.db2.gz SGMALQQQGRPMDL-UXHICEINSA-N 2 2 340.552 3.262 20 0 EGADLP CC(C)CCC[C@H](C)[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170084591 1384233195 /nfs/dbraw/zinc/23/31/95/1384233195.db2.gz XUYHKQZWTFWNRR-SFHVURJKSA-N 2 2 347.551 3.337 20 0 EGADLP CC(C)CCC[C@H](C)[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001170084591 1384233199 /nfs/dbraw/zinc/23/31/99/1384233199.db2.gz XUYHKQZWTFWNRR-SFHVURJKSA-N 2 2 347.551 3.337 20 0 EGADLP CC[C@H]1CC([NH2+]CC2C[NH+](C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469183 1384325956 /nfs/dbraw/zinc/32/59/56/1384325956.db2.gz JUEGLYXPASMIGW-IRXDYDNUSA-N 2 2 339.524 3.094 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCCC[NH2+]CC[C@@H](C)F)ccn12 ZINC001170786338 1384385292 /nfs/dbraw/zinc/38/52/92/1384385292.db2.gz RZKAGYBILMDYDM-HUUCEWRRSA-N 2 2 348.466 3.269 20 0 EGADLP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc(Cn4cc[nH+]c4)cn3)c2C1 ZINC001171098290 1384445478 /nfs/dbraw/zinc/44/54/78/1384445478.db2.gz ZQQQFBYCANPCSE-MRXNPFEDSA-N 2 2 343.434 3.086 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171150931 1384455530 /nfs/dbraw/zinc/45/55/30/1384455530.db2.gz FGSHRSWENMFDGA-QGZVFWFLSA-N 2 2 346.519 3.497 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171150931 1384455532 /nfs/dbraw/zinc/45/55/32/1384455532.db2.gz FGSHRSWENMFDGA-QGZVFWFLSA-N 2 2 346.519 3.497 20 0 EGADLP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCOc1cc[nH+]cc1)CC2 ZINC001171317113 1384493486 /nfs/dbraw/zinc/49/34/86/1384493486.db2.gz SECCUBASBXXBIF-ZDUSSCGKSA-N 2 2 332.831 3.270 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358452 1384501398 /nfs/dbraw/zinc/50/13/98/1384501398.db2.gz HCZJVCIQKJJVAZ-BRWVUGGUSA-N 2 2 334.508 3.214 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358452 1384501402 /nfs/dbraw/zinc/50/14/02/1384501402.db2.gz HCZJVCIQKJJVAZ-BRWVUGGUSA-N 2 2 334.508 3.214 20 0 EGADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171523156 1384550408 /nfs/dbraw/zinc/55/04/08/1384550408.db2.gz YXISLVWDMWRGIF-KBPBESRZSA-N 2 2 326.406 3.281 20 0 EGADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171523156 1384550412 /nfs/dbraw/zinc/55/04/12/1384550412.db2.gz YXISLVWDMWRGIF-KBPBESRZSA-N 2 2 326.406 3.281 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171543451 1384558106 /nfs/dbraw/zinc/55/81/06/1384558106.db2.gz JXAVATUBJPEYTJ-STQMWFEESA-N 2 2 335.373 3.497 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001171577406 1384569665 /nfs/dbraw/zinc/56/96/65/1384569665.db2.gz SBFIJJQOELQEGP-IRXDYDNUSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCN(C(=O)c3ccccc3)CC2)CC1(C)C ZINC001171629824 1384585415 /nfs/dbraw/zinc/58/54/15/1384585415.db2.gz WHZOWAHLJOLULS-UHFFFAOYSA-N 2 2 343.515 3.096 20 0 EGADLP C[NH+]1C(C)(C)CC([NH+]2CCN(Cc3cccc(N)c3)CC2)CC1(C)C ZINC001171640303 1384589936 /nfs/dbraw/zinc/58/99/36/1384589936.db2.gz BPJSOVXWCHVZRK-UHFFFAOYSA-N 2 2 344.547 3.038 20 0 EGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701528 /nfs/dbraw/zinc/70/15/28/1384701528.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701531 /nfs/dbraw/zinc/70/15/31/1384701531.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701535 /nfs/dbraw/zinc/70/15/35/1384701535.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171977912 1384701538 /nfs/dbraw/zinc/70/15/38/1384701538.db2.gz UWUCDDYLCXRHOF-HOJAQTOUSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]2C1 ZINC001171990784 1384707119 /nfs/dbraw/zinc/70/71/19/1384707119.db2.gz OVFBXNOZQZJUTK-NJYVYQBISA-N 3 2 341.543 3.313 20 0 EGADLP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]2C1 ZINC001171990784 1384707121 /nfs/dbraw/zinc/70/71/21/1384707121.db2.gz OVFBXNOZQZJUTK-NJYVYQBISA-N 3 2 341.543 3.313 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC12CCCCC2 ZINC001172059996 1384714096 /nfs/dbraw/zinc/71/40/96/1384714096.db2.gz NLHGVGGSILMRDO-CVEARBPZSA-N 2 2 337.508 3.122 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CC12CCCCC2 ZINC001172059996 1384714098 /nfs/dbraw/zinc/71/40/98/1384714098.db2.gz NLHGVGGSILMRDO-CVEARBPZSA-N 2 2 337.508 3.122 20 0 EGADLP FC1(F)C[NH2+]CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069931 1384718971 /nfs/dbraw/zinc/71/89/71/1384718971.db2.gz VZSZVFYRNDHVIR-REPLKXPHSA-N 2 2 349.469 3.113 20 0 EGADLP FC1(F)C[NH2+]CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069931 1384718975 /nfs/dbraw/zinc/71/89/75/1384718975.db2.gz VZSZVFYRNDHVIR-REPLKXPHSA-N 2 2 349.469 3.113 20 0 EGADLP CC(=O)[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081466 1384723019 /nfs/dbraw/zinc/72/30/19/1384723019.db2.gz FVPLDPKYPLPDBV-UWHLTILDSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172081466 1384723024 /nfs/dbraw/zinc/72/30/24/1384723024.db2.gz FVPLDPKYPLPDBV-UWHLTILDSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172081466 1384723030 /nfs/dbraw/zinc/72/30/30/1384723030.db2.gz FVPLDPKYPLPDBV-UWHLTILDSA-N 2 2 326.484 3.483 20 0 EGADLP CC(=O)[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172081466 1384723032 /nfs/dbraw/zinc/72/30/32/1384723032.db2.gz FVPLDPKYPLPDBV-UWHLTILDSA-N 2 2 326.484 3.483 20 0 EGADLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172243182 1384754790 /nfs/dbraw/zinc/75/47/90/1384754790.db2.gz OWCHJCBGQHGFRA-IHWFROFDSA-N 2 2 330.447 3.208 20 0 EGADLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172243182 1384754792 /nfs/dbraw/zinc/75/47/92/1384754792.db2.gz OWCHJCBGQHGFRA-IHWFROFDSA-N 2 2 330.447 3.208 20 0 EGADLP CCCC[NH+](CCCC)CCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172244343 1384754964 /nfs/dbraw/zinc/75/49/64/1384754964.db2.gz BRIZCGLAMFQDDG-UHFFFAOYSA-N 3 2 341.584 3.369 20 0 EGADLP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172285531 1384760369 /nfs/dbraw/zinc/76/03/69/1384760369.db2.gz YIVHYPAQJBCDIM-KRWDZBQOSA-N 2 2 347.503 3.289 20 0 EGADLP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172285531 1384760371 /nfs/dbraw/zinc/76/03/71/1384760371.db2.gz YIVHYPAQJBCDIM-KRWDZBQOSA-N 2 2 347.503 3.289 20 0 EGADLP CC(C)COCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172457462 1384796947 /nfs/dbraw/zinc/79/69/47/1384796947.db2.gz AKLQTXSETYZANC-CZUORRHYSA-N 2 2 343.309 3.490 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835764 1384861763 /nfs/dbraw/zinc/86/17/63/1384861763.db2.gz XRXOKIWNIGFZCG-XJUOHMSHSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835764 1384861765 /nfs/dbraw/zinc/86/17/65/1384861765.db2.gz XRXOKIWNIGFZCG-XJUOHMSHSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835764 1384861766 /nfs/dbraw/zinc/86/17/66/1384861766.db2.gz XRXOKIWNIGFZCG-XJUOHMSHSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1ccc2c(c1)C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C1)CC2 ZINC001172835764 1384861768 /nfs/dbraw/zinc/86/17/68/1384861768.db2.gz XRXOKIWNIGFZCG-XJUOHMSHSA-N 2 2 347.506 3.311 20 0 EGADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054260 1384902521 /nfs/dbraw/zinc/90/25/21/1384902521.db2.gz MRIZYWWYGPCZEL-HOTGVXAUSA-N 2 2 327.513 3.096 20 0 EGADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173054260 1384902522 /nfs/dbraw/zinc/90/25/22/1384902522.db2.gz MRIZYWWYGPCZEL-HOTGVXAUSA-N 2 2 327.513 3.096 20 0 EGADLP CC[NH+](CC)C1CCC([N@@H+]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173113002 1384917683 /nfs/dbraw/zinc/91/76/83/1384917683.db2.gz GAWBDJKOJQRUPP-UHFFFAOYSA-N 2 2 325.497 3.150 20 0 EGADLP CC[NH+](CC)C1CCC([N@H+]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173113002 1384917689 /nfs/dbraw/zinc/91/76/89/1384917689.db2.gz GAWBDJKOJQRUPP-UHFFFAOYSA-N 2 2 325.497 3.150 20 0 EGADLP COc1cccc2c1C[C@H]([N@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC001173167513 1384928373 /nfs/dbraw/zinc/92/83/73/1384928373.db2.gz GLWMRZLQIAWJHZ-SFHVURJKSA-N 2 2 349.434 3.316 20 0 EGADLP COc1cccc2c1C[C@H]([N@@H+](C)Cc1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC001173167513 1384928377 /nfs/dbraw/zinc/92/83/77/1384928377.db2.gz GLWMRZLQIAWJHZ-SFHVURJKSA-N 2 2 349.434 3.316 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001173630125 1384991836 /nfs/dbraw/zinc/99/18/36/1384991836.db2.gz FTLCKOZAZRHTSD-ZCNNSNEGSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC001173630125 1384991839 /nfs/dbraw/zinc/99/18/39/1384991839.db2.gz FTLCKOZAZRHTSD-ZCNNSNEGSA-N 2 2 344.499 3.363 20 0 EGADLP COC(=O)c1ccc(C[C@@H](C)[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173734071 1385011366 /nfs/dbraw/zinc/01/13/66/1385011366.db2.gz GXTHPHIQYGLIGB-MRXNPFEDSA-N 2 2 332.488 3.209 20 0 EGADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001173734071 1385011367 /nfs/dbraw/zinc/01/13/67/1385011367.db2.gz GXTHPHIQYGLIGB-MRXNPFEDSA-N 2 2 332.488 3.209 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)s1 ZINC001317247483 1385019967 /nfs/dbraw/zinc/01/99/67/1385019967.db2.gz QGIBMZXYIGROOU-NSHDSACASA-N 2 2 342.468 3.149 20 0 EGADLP CC[C@@H]([NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001317250310 1385021354 /nfs/dbraw/zinc/02/13/54/1385021354.db2.gz BFXOZKWXXKJFDF-NVXWUHKLSA-N 2 2 336.439 3.194 20 0 EGADLP Ic1ccc2[nH+]ccc(Nc3cc[nH+]cc3)c2c1 ZINC001173881815 1385024440 /nfs/dbraw/zinc/02/44/40/1385024440.db2.gz BMTAEDVPTDZUHH-UHFFFAOYSA-N 2 2 347.159 3.400 20 0 EGADLP CCCC[N@H+](CCS(=O)(=O)CCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174985296 1385179205 /nfs/dbraw/zinc/17/92/05/1385179205.db2.gz ZIJHMQQCJRLXQI-UHFFFAOYSA-N 2 2 346.581 3.223 20 0 EGADLP CCCC[N@@H+](CCS(=O)(=O)CCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174985296 1385179206 /nfs/dbraw/zinc/17/92/06/1385179206.db2.gz ZIJHMQQCJRLXQI-UHFFFAOYSA-N 2 2 346.581 3.223 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001175209355 1385220138 /nfs/dbraw/zinc/22/01/38/1385220138.db2.gz IVIJUTYJNYEDJZ-HZPDHXFCSA-N 2 2 334.508 3.140 20 0 EGADLP CC(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001175209353 1385220401 /nfs/dbraw/zinc/22/04/01/1385220401.db2.gz IVIJUTYJNYEDJZ-HOTGVXAUSA-N 2 2 334.508 3.140 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175646211 1385363215 /nfs/dbraw/zinc/36/32/15/1385363215.db2.gz ZXWAPXCJHVKGRE-IRXDYDNUSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1CCCC1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175646211 1385363220 /nfs/dbraw/zinc/36/32/20/1385363220.db2.gz ZXWAPXCJHVKGRE-IRXDYDNUSA-N 2 2 348.535 3.433 20 0 EGADLP C[C@@H](CCCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881272 1385428977 /nfs/dbraw/zinc/42/89/77/1385428977.db2.gz MVODROJMWXEXQK-GJZGRUSLSA-N 2 2 346.450 3.117 20 0 EGADLP CC(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001175993937 1385455503 /nfs/dbraw/zinc/45/55/03/1385455503.db2.gz XGMJBRVCFQFDQR-QGZVFWFLSA-N 2 2 342.487 3.407 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCC1 ZINC001176351460 1385559537 /nfs/dbraw/zinc/55/95/37/1385559537.db2.gz UILQDRYYQVXJAN-OAHLLOKOSA-N 2 2 334.508 3.106 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCC1=CCCCC1 ZINC001176351408 1385559908 /nfs/dbraw/zinc/55/99/08/1385559908.db2.gz SVVCJJNZTUBXRB-MRXNPFEDSA-N 2 2 346.519 3.416 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001176769757 1385690747 /nfs/dbraw/zinc/69/07/47/1385690747.db2.gz UTOZTNAJLVCXRG-IEBWSBKVSA-N 2 2 348.535 3.139 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001176830033 1385716591 /nfs/dbraw/zinc/71/65/91/1385716591.db2.gz YOCLORFDJZQKKV-QZTJIDSGSA-N 2 2 342.487 3.217 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829988 1385716634 /nfs/dbraw/zinc/71/66/34/1385716634.db2.gz XGBJSGRUVYTUQE-MSOLQXFVSA-N 2 2 342.487 3.217 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001177339789 1385919818 /nfs/dbraw/zinc/91/98/18/1385919818.db2.gz PIQYDVKTZWTOOL-QGZVFWFLSA-N 2 2 348.535 3.387 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001177339789 1385919823 /nfs/dbraw/zinc/91/98/23/1385919823.db2.gz PIQYDVKTZWTOOL-QGZVFWFLSA-N 2 2 348.535 3.387 20 0 EGADLP CC[NH2+]CCCN(CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001177352776 1385926348 /nfs/dbraw/zinc/92/63/48/1385926348.db2.gz LJWYJKVFGZXJKS-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)(C)C)cc1 ZINC001177411329 1385946781 /nfs/dbraw/zinc/94/67/81/1385946781.db2.gz HPQIQWLTZMXPLY-MRXNPFEDSA-N 2 2 342.487 3.038 20 0 EGADLP CCC(CC)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001177430897 1385953669 /nfs/dbraw/zinc/95/36/69/1385953669.db2.gz BLCWGOBZLOSCLM-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP Cc1cc(C[NH2+]CCCCCCNC(=O)CCc2[nH]cc[nH+]2)cs1 ZINC001178345848 1386193803 /nfs/dbraw/zinc/19/38/03/1386193803.db2.gz MVQIRVBEOJHGDE-UHFFFAOYSA-N 2 2 348.516 3.179 20 0 EGADLP CC(C)C[NH2+]CCCCCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001178771025 1386299022 /nfs/dbraw/zinc/29/90/22/1386299022.db2.gz ZXRHCVLZFBYXPP-GOSISDBHSA-N 2 2 336.524 3.393 20 0 EGADLP CC(C)(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001178852542 1386328582 /nfs/dbraw/zinc/32/85/82/1386328582.db2.gz UTSLQKWXKLYQQD-QGZVFWFLSA-N 2 2 348.535 3.148 20 0 EGADLP CC[C@H](C[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C)OC ZINC001179084621 1386396015 /nfs/dbraw/zinc/39/60/15/1386396015.db2.gz FIWKURWRAQVLHY-GOSISDBHSA-N 2 2 349.519 3.312 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001179097114 1386399715 /nfs/dbraw/zinc/39/97/15/1386399715.db2.gz CDXFYKPSHBKGPH-UHFFFAOYSA-N 2 2 348.535 3.055 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001179557178 1386513601 /nfs/dbraw/zinc/51/36/01/1386513601.db2.gz CDOPKJXVMDWPPU-CVEARBPZSA-N 2 2 334.508 3.142 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]Cc1cccc(Cl)c1 ZINC001179689955 1386554803 /nfs/dbraw/zinc/55/48/03/1386554803.db2.gz TWBWARJJYJCGDR-UHFFFAOYSA-N 2 2 348.878 3.072 20 0 EGADLP Cc1ccc(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)c(C)c1 ZINC001179901643 1386622269 /nfs/dbraw/zinc/62/22/69/1386622269.db2.gz DZSBFWQLDZGFKL-UHFFFAOYSA-N 2 2 342.487 3.035 20 0 EGADLP CC1(C)CCC(C[NH2+]CCCCCCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001179902571 1386622567 /nfs/dbraw/zinc/62/25/67/1386622567.db2.gz MZCZWRYBRIBCNS-UHFFFAOYSA-N 2 2 348.535 3.435 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC001179906722 1386623741 /nfs/dbraw/zinc/62/37/41/1386623741.db2.gz JABWKDQOYYEZNH-HNNXBMFYSA-N 2 2 346.450 3.119 20 0 EGADLP COc1ccc(C[C@H]2CC[N@@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001180116247 1386701704 /nfs/dbraw/zinc/70/17/04/1386701704.db2.gz HKZBGDGUMJFHPD-OAHLLOKOSA-N 2 2 331.485 3.030 20 0 EGADLP COc1ccc(C[C@H]2CC[N@H+]2Cc2ncc(C[NH+](C)C)s2)cc1 ZINC001180116247 1386701709 /nfs/dbraw/zinc/70/17/09/1386701709.db2.gz HKZBGDGUMJFHPD-OAHLLOKOSA-N 2 2 331.485 3.030 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1ccccc1Cl)C(=O)CCn1cc[nH+]c1 ZINC001320810438 1386725687 /nfs/dbraw/zinc/72/56/87/1386725687.db2.gz VSRDIEWYQRFIIO-OAHLLOKOSA-N 2 2 348.878 3.126 20 0 EGADLP CC[C@H]1C[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCO1 ZINC001320840693 1386734417 /nfs/dbraw/zinc/73/44/17/1386734417.db2.gz UNDOHKTWYMCWRI-GJZGRUSLSA-N 2 2 328.416 3.110 20 0 EGADLP C[C@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180276149 1386753118 /nfs/dbraw/zinc/75/31/18/1386753118.db2.gz MPNAQFILKJKLGZ-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CCC[C@H](CC[NH2+]CCCCCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001180469687 1386807489 /nfs/dbraw/zinc/80/74/89/1386807489.db2.gz COGAZCUIYQVMTO-RBUKOAKNSA-N 2 2 348.535 3.366 20 0 EGADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CCCC1CCCC1 ZINC001180471045 1386807589 /nfs/dbraw/zinc/80/75/89/1386807589.db2.gz XTJAJAQPCFRSSE-UHFFFAOYSA-N 2 2 334.508 3.120 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181278225 1386970676 /nfs/dbraw/zinc/97/06/76/1386970676.db2.gz CCFJKWGVXBEQFV-SQGPQFPESA-N 2 2 348.535 3.099 20 0 EGADLP CCC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001181279521 1386971651 /nfs/dbraw/zinc/97/16/51/1386971651.db2.gz SQFFPANTMWIGDZ-AJWBFMOXSA-N 2 2 346.519 3.163 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001322159603 1387081485 /nfs/dbraw/zinc/08/14/85/1387081485.db2.gz YFBQCRVOUXOMMK-UWJYYQICSA-N 2 2 344.418 3.418 20 0 EGADLP CC[NH+](CC)CCNC(=O)[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182218080 1387122816 /nfs/dbraw/zinc/12/28/16/1387122816.db2.gz GCAABMGNNDLUAR-KRWDZBQOSA-N 2 2 339.911 3.181 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NC2CCCCCC2)[nH+]1 ZINC001322860738 1387248377 /nfs/dbraw/zinc/24/83/77/1387248377.db2.gz FAWLKSYRKWFQQA-GOSISDBHSA-N 2 2 344.503 3.105 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NC2CCCCCC2)[nH+]1 ZINC001322860738 1387248381 /nfs/dbraw/zinc/24/83/81/1387248381.db2.gz FAWLKSYRKWFQQA-GOSISDBHSA-N 2 2 344.503 3.105 20 0 EGADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001331520912 1389781581 /nfs/dbraw/zinc/78/15/81/1389781581.db2.gz WPXGEUAWHPFXCO-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP Cc1[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)[nH+]c1C ZINC001331914678 1389908657 /nfs/dbraw/zinc/90/86/57/1389908657.db2.gz HRSHELZUFUWHCB-GOSISDBHSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)[nH+]c1C ZINC001331914678 1389908660 /nfs/dbraw/zinc/90/86/60/1389908660.db2.gz HRSHELZUFUWHCB-GOSISDBHSA-N 2 2 340.471 3.006 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc3oc(=O)oc3c2)[nH+]1 ZINC001333704375 1390378758 /nfs/dbraw/zinc/37/87/58/1390378758.db2.gz XKAPRFWGWNQWAX-OAHLLOKOSA-N 2 2 339.395 3.166 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc3oc(=O)oc3c2)[nH+]1 ZINC001333704375 1390378764 /nfs/dbraw/zinc/37/87/64/1390378764.db2.gz XKAPRFWGWNQWAX-OAHLLOKOSA-N 2 2 339.395 3.166 20 0 EGADLP C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219053 1390500562 /nfs/dbraw/zinc/50/05/62/1390500562.db2.gz YOQXSTPCEQFQGW-CVEARBPZSA-N 2 2 325.456 3.198 20 0 EGADLP C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc2O1 ZINC001334219053 1390500565 /nfs/dbraw/zinc/50/05/65/1390500565.db2.gz YOQXSTPCEQFQGW-CVEARBPZSA-N 2 2 325.456 3.198 20 0 EGADLP CCC[NH+](CCC)CCCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001348852731 1391275497 /nfs/dbraw/zinc/27/54/97/1391275497.db2.gz DTMQXEHKVUGWFD-UHFFFAOYSA-N 2 2 334.508 3.028 20 0 EGADLP Fc1cc2cccnc2c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001353604954 1392048291 /nfs/dbraw/zinc/04/82/91/1392048291.db2.gz OEQIUCZZYDNFBR-UHFFFAOYSA-N 2 2 343.446 3.107 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)c(C)[nH+]1 ZINC001491359207 1394511317 /nfs/dbraw/zinc/51/13/17/1394511317.db2.gz JJXORNZCSCAYBF-WTKPLQERSA-N 2 2 335.879 3.390 20 0 EGADLP CC(C)[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001481960825 1394621595 /nfs/dbraw/zinc/62/15/95/1394621595.db2.gz HROHRXZZMJKRCA-DNVCBOLYSA-N 2 2 328.460 3.011 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NCC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001484145720 1395282045 /nfs/dbraw/zinc/28/20/45/1395282045.db2.gz ZKAZYWWOASUIDE-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484356402 1395344493 /nfs/dbraw/zinc/34/44/93/1395344493.db2.gz CPARQVDQYPRVHH-IEBWSBKVSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1)c1ccccc1 ZINC001690291381 1404451226 /nfs/dbraw/zinc/45/12/26/1404451226.db2.gz VRLCOZXEKBEZLT-WNHJNPCNSA-N 2 2 340.471 3.222 20 0 EGADLP Cc1cc(C[N@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)s1 ZINC001690951408 1404860640 /nfs/dbraw/zinc/86/06/40/1404860640.db2.gz PHMPBKKIGASMQY-UHFFFAOYSA-N 2 2 342.468 3.103 20 0 EGADLP Cc1cc(C[N@@H+](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)s1 ZINC001690951408 1404860647 /nfs/dbraw/zinc/86/06/47/1404860647.db2.gz PHMPBKKIGASMQY-UHFFFAOYSA-N 2 2 342.468 3.103 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001690983672 1404897699 /nfs/dbraw/zinc/89/76/99/1404897699.db2.gz TZQBALLQZURFCK-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001690983672 1404897703 /nfs/dbraw/zinc/89/77/03/1404897703.db2.gz TZQBALLQZURFCK-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001690983672 1404897707 /nfs/dbraw/zinc/89/77/07/1404897707.db2.gz TZQBALLQZURFCK-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001690983672 1404897711 /nfs/dbraw/zinc/89/77/11/1404897711.db2.gz TZQBALLQZURFCK-ZIAGYGMSSA-N 2 2 348.878 3.051 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC001691365541 1405215416 /nfs/dbraw/zinc/21/54/16/1405215416.db2.gz DQIBOBRCWIAMGM-QRVBRYPASA-N 2 2 348.535 3.172 20 0 EGADLP CC1CC(C[N@@H+]2CC[C@H](CCNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001691893984 1405616733 /nfs/dbraw/zinc/61/67/33/1405616733.db2.gz XMQGYJBSDXANBC-PCKAHOCUSA-N 2 2 340.471 3.051 20 0 EGADLP CC1CC(C[N@H+]2CC[C@H](CCNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001691893984 1405616735 /nfs/dbraw/zinc/61/67/35/1405616735.db2.gz XMQGYJBSDXANBC-PCKAHOCUSA-N 2 2 340.471 3.051 20 0 EGADLP C[N@H+](CCC1CCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001692014392 1405734617 /nfs/dbraw/zinc/73/46/17/1405734617.db2.gz VHQOBTCGSBUDFC-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001692014392 1405734624 /nfs/dbraw/zinc/73/46/24/1405734624.db2.gz VHQOBTCGSBUDFC-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@H+](CCC1CCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001692014392 1405734626 /nfs/dbraw/zinc/73/46/26/1405734626.db2.gz VHQOBTCGSBUDFC-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001692014392 1405734631 /nfs/dbraw/zinc/73/46/31/1405734631.db2.gz VHQOBTCGSBUDFC-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)cc1 ZINC001692203316 1405840455 /nfs/dbraw/zinc/84/04/55/1405840455.db2.gz CBRGYJFZTHRCHR-INIZCTEOSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC001692203316 1405840457 /nfs/dbraw/zinc/84/04/57/1405840457.db2.gz CBRGYJFZTHRCHR-INIZCTEOSA-N 2 2 343.515 3.156 20 0 EGADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC1CCCCC1 ZINC001732206596 1428456184 /nfs/dbraw/zinc/45/61/84/1428456184.db2.gz DMKARXODIAQCEL-MRXNPFEDSA-N 2 2 328.460 3.013 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC2CC[NH+](CCCF)CC2)c(C)[nH+]1 ZINC001732322332 1428531572 /nfs/dbraw/zinc/53/15/72/1428531572.db2.gz JXTVXNOYQFNWQO-UHFFFAOYSA-N 2 2 335.467 3.198 20 0 EGADLP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001699459252 1412810000 /nfs/dbraw/zinc/81/00/00/1412810000.db2.gz QZBHIJVUYSHCDJ-OAHLLOKOSA-N 2 2 330.476 3.211 20 0 EGADLP C[C@H](C[N@@H+](C)CCCC(C)(C)C)NC(=O)c1cccc2[nH+]ccn21 ZINC001699459252 1412810004 /nfs/dbraw/zinc/81/00/04/1412810004.db2.gz QZBHIJVUYSHCDJ-OAHLLOKOSA-N 2 2 330.476 3.211 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001732568058 1428761775 /nfs/dbraw/zinc/76/17/75/1428761775.db2.gz BCYMBGBRCYHWAU-GUYCJALGSA-N 2 2 348.878 3.097 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700461105 1414060275 /nfs/dbraw/zinc/06/02/75/1414060275.db2.gz OCTWWVCNEKXMLE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001700461105 1414060278 /nfs/dbraw/zinc/06/02/78/1414060278.db2.gz OCTWWVCNEKXMLE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700461105 1414060285 /nfs/dbraw/zinc/06/02/85/1414060285.db2.gz OCTWWVCNEKXMLE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001700461105 1414060288 /nfs/dbraw/zinc/06/02/88/1414060288.db2.gz OCTWWVCNEKXMLE-UONOGXRCSA-N 2 2 348.878 3.193 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001700487170 1414135120 /nfs/dbraw/zinc/13/51/20/1414135120.db2.gz OMXDBOOHDGBWMD-MSOLQXFVSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCCn2cc[nH+]c2)c1 ZINC001700487170 1414135123 /nfs/dbraw/zinc/13/51/23/1414135123.db2.gz OMXDBOOHDGBWMD-MSOLQXFVSA-N 2 2 342.487 3.169 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001700754946 1414424970 /nfs/dbraw/zinc/42/49/70/1414424970.db2.gz DAFUNHZUNSEWLB-GFCCVEGCSA-N 2 2 342.468 3.183 20 0 EGADLP CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001732607586 1428863879 /nfs/dbraw/zinc/86/38/79/1428863879.db2.gz KWMSESMKSDXYOQ-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001732607586 1428863884 /nfs/dbraw/zinc/86/38/84/1428863884.db2.gz KWMSESMKSDXYOQ-ZWKOTPCHSA-N 2 2 346.519 3.022 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053043 1429193464 /nfs/dbraw/zinc/19/34/64/1429193464.db2.gz IBYSHGCVTGZTRB-DYVFJYSZSA-N 2 2 348.878 3.193 20 0 EGADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001733053043 1429193465 /nfs/dbraw/zinc/19/34/65/1429193465.db2.gz IBYSHGCVTGZTRB-DYVFJYSZSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275043 1417893651 /nfs/dbraw/zinc/89/36/51/1417893651.db2.gz DDJCTDGCAOPPOZ-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275043 1417893658 /nfs/dbraw/zinc/89/36/58/1417893658.db2.gz DDJCTDGCAOPPOZ-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001713275043 1417893661 /nfs/dbraw/zinc/89/36/61/1417893661.db2.gz DDJCTDGCAOPPOZ-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001713275043 1417893667 /nfs/dbraw/zinc/89/36/67/1417893667.db2.gz DDJCTDGCAOPPOZ-FUHWJXTLSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001713278694 1417902723 /nfs/dbraw/zinc/90/27/23/1417902723.db2.gz HGHMALNMZNXVIG-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001713278694 1417902729 /nfs/dbraw/zinc/90/27/29/1417902729.db2.gz HGHMALNMZNXVIG-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]C[C@H](C)CC(C)C)ccn12 ZINC001713311755 1417935901 /nfs/dbraw/zinc/93/59/01/1417935901.db2.gz XPNFRKQFBPQNLM-CABCVRRESA-N 2 2 330.476 3.033 20 0 EGADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1Cl ZINC001713413974 1418037219 /nfs/dbraw/zinc/03/72/19/1418037219.db2.gz KZUIYHJFEFNXAA-GJZGRUSLSA-N 2 2 348.878 3.172 20 0 EGADLP C[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]Cc1ccccc1 ZINC001714482790 1419205487 /nfs/dbraw/zinc/20/54/87/1419205487.db2.gz WPECICWZPKLAQT-QGZVFWFLSA-N 2 2 348.450 3.171 20 0 EGADLP CC[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC001714507443 1419234713 /nfs/dbraw/zinc/23/47/13/1419234713.db2.gz AYMGEPSRKYWGCO-GOSISDBHSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001715269910 1419986120 /nfs/dbraw/zinc/98/61/20/1419986120.db2.gz JATPULJJIRAYTE-STQMWFEESA-N 2 2 348.878 3.017 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001715533057 1420224448 /nfs/dbraw/zinc/22/44/48/1420224448.db2.gz QLLXUTBIANSXDN-APWZRJJASA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001715533057 1420224451 /nfs/dbraw/zinc/22/44/51/1420224451.db2.gz QLLXUTBIANSXDN-APWZRJJASA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001715533057 1420224452 /nfs/dbraw/zinc/22/44/52/1420224452.db2.gz QLLXUTBIANSXDN-APWZRJJASA-N 2 2 342.487 3.130 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001715533057 1420224455 /nfs/dbraw/zinc/22/44/55/1420224455.db2.gz QLLXUTBIANSXDN-APWZRJJASA-N 2 2 342.487 3.130 20 0 EGADLP C[C@H](CC[NH2+][C@H](C)c1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001715657720 1420281577 /nfs/dbraw/zinc/28/15/77/1420281577.db2.gz INDGEYHVEPOWTO-HUUCEWRRSA-N 2 2 336.439 3.422 20 0 EGADLP CCC[N@H+](CC1CC1)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733277458 1429443916 /nfs/dbraw/zinc/44/39/16/1429443916.db2.gz TYEPTNWZJZDUEV-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CCC[N@@H+](CC1CC1)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001733277458 1429443919 /nfs/dbraw/zinc/44/39/19/1429443919.db2.gz TYEPTNWZJZDUEV-UHFFFAOYSA-N 2 2 340.471 3.061 20 0 EGADLP CCCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 ZINC001733279040 1429448405 /nfs/dbraw/zinc/44/84/05/1429448405.db2.gz RSUPWOBZKLIFRI-UHFFFAOYSA-N 2 2 334.508 3.202 20 0 EGADLP CCCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 ZINC001733279040 1429448409 /nfs/dbraw/zinc/44/84/09/1429448409.db2.gz RSUPWOBZKLIFRI-UHFFFAOYSA-N 2 2 334.508 3.202 20 0 EGADLP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377502 1421320457 /nfs/dbraw/zinc/32/04/57/1421320457.db2.gz LCRAHWDCWVPUJS-RTBURBONSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377502 1421320460 /nfs/dbraw/zinc/32/04/60/1421320460.db2.gz LCRAHWDCWVPUJS-RTBURBONSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377499 1421320572 /nfs/dbraw/zinc/32/05/72/1421320572.db2.gz LCRAHWDCWVPUJS-MOPGFXCFSA-N 2 2 346.519 3.024 20 0 EGADLP CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001717377499 1421320575 /nfs/dbraw/zinc/32/05/75/1421320575.db2.gz LCRAHWDCWVPUJS-MOPGFXCFSA-N 2 2 346.519 3.024 20 0 EGADLP Cc1cc(C)c(C(=O)NCC2(C)CC[NH+](CC(C)C)CC2)c(C)[nH+]1 ZINC001733451330 1429663477 /nfs/dbraw/zinc/66/34/77/1429663477.db2.gz WVEHUNPVRPJDMO-UHFFFAOYSA-N 2 2 331.504 3.495 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001724104555 1424666577 /nfs/dbraw/zinc/66/65/77/1424666577.db2.gz YIPPYXYHNLIUIJ-IBGZPJMESA-N 2 2 346.519 3.106 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001724979029 1425379877 /nfs/dbraw/zinc/37/98/77/1425379877.db2.gz KDFDSXJLFNQWLS-SFHVURJKSA-N 2 2 348.535 3.316 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C1 ZINC001724979029 1425379884 /nfs/dbraw/zinc/37/98/84/1425379884.db2.gz KDFDSXJLFNQWLS-SFHVURJKSA-N 2 2 348.535 3.316 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001725148570 1425631977 /nfs/dbraw/zinc/63/19/77/1425631977.db2.gz FVOHBYQVSDZJCZ-INIZCTEOSA-N 2 2 342.487 3.096 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1CCCC(C)(C)C ZINC001725632559 1426301177 /nfs/dbraw/zinc/30/11/77/1426301177.db2.gz OMRNKQSNOHWAEY-WMZOPIPTSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1CCCC(C)(C)C ZINC001725632559 1426301184 /nfs/dbraw/zinc/30/11/84/1426301184.db2.gz OMRNKQSNOHWAEY-WMZOPIPTSA-N 2 2 348.535 3.148 20 0 EGADLP CN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731349663 1427287876 /nfs/dbraw/zinc/28/78/76/1427287876.db2.gz YQVXJUAPRGAEAR-UHFFFAOYSA-N 2 2 348.535 3.102 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001731447013 1427424479 /nfs/dbraw/zinc/42/44/79/1427424479.db2.gz GDLCXEDJVRTTDQ-BPUTZDHNSA-N 2 2 328.460 3.096 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001733929580 1437742832 /nfs/dbraw/zinc/74/28/32/1437742832.db2.gz QCPAGGMSZCDAIK-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001733929580 1437742833 /nfs/dbraw/zinc/74/28/33/1437742833.db2.gz QCPAGGMSZCDAIK-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001733929580 1437742836 /nfs/dbraw/zinc/74/28/36/1437742836.db2.gz QCPAGGMSZCDAIK-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001733929580 1437742838 /nfs/dbraw/zinc/74/28/38/1437742838.db2.gz QCPAGGMSZCDAIK-IBGZPJMESA-N 2 2 346.519 3.236 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508633 1440189982 /nfs/dbraw/zinc/18/99/82/1440189982.db2.gz XHXYNNODYIGZBW-RBUKOAKNSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1)n1cc[nH+]c1 ZINC001752508633 1440189983 /nfs/dbraw/zinc/18/99/83/1440189983.db2.gz XHXYNNODYIGZBW-RBUKOAKNSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752515572 1440191098 /nfs/dbraw/zinc/19/10/98/1440191098.db2.gz AOUOQQFHXKNXTQ-QZTJIDSGSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001752515572 1440191099 /nfs/dbraw/zinc/19/10/99/1440191099.db2.gz AOUOQQFHXKNXTQ-QZTJIDSGSA-N 2 2 334.508 3.051 20 0 EGADLP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001752576498 1440195675 /nfs/dbraw/zinc/19/56/75/1440195675.db2.gz OZHVZXMSIGTBGX-ZBKUBXTQSA-N 2 2 332.492 3.017 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)n1cc[nH+]c1 ZINC001752769583 1440205874 /nfs/dbraw/zinc/20/58/74/1440205874.db2.gz UINIKBKMDOIQMR-NXHRZFHOSA-N 2 2 332.492 3.041 20 0 EGADLP CC(C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001752974002 1440255671 /nfs/dbraw/zinc/25/56/71/1440255671.db2.gz PBQVCFUDCKKGQW-SJORKVTESA-N 2 2 342.487 3.401 20 0 EGADLP C[N@H+](CCCCCF)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752993049 1440260475 /nfs/dbraw/zinc/26/04/75/1440260475.db2.gz YYJURMAYYSSYMG-MRXNPFEDSA-N 2 2 346.450 3.239 20 0 EGADLP C[N@@H+](CCCCCF)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001752993049 1440260476 /nfs/dbraw/zinc/26/04/76/1440260476.db2.gz YYJURMAYYSSYMG-MRXNPFEDSA-N 2 2 346.450 3.239 20 0 EGADLP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753031833 1440273100 /nfs/dbraw/zinc/27/31/00/1440273100.db2.gz CRXDNXFJSHPLBT-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001753031833 1440273101 /nfs/dbraw/zinc/27/31/01/1440273101.db2.gz CRXDNXFJSHPLBT-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP Cc1cccc(C[N@H+](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)c1 ZINC001753155241 1440330366 /nfs/dbraw/zinc/33/03/66/1440330366.db2.gz GEUKLOLAKKSZJC-UHFFFAOYSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cccc(C[N@@H+](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)c1 ZINC001753155241 1440330367 /nfs/dbraw/zinc/33/03/67/1440330367.db2.gz GEUKLOLAKKSZJC-UHFFFAOYSA-N 2 2 348.450 3.266 20 0 EGADLP Cc1cc(C)c(C(=O)NCc2ccc(C[NH2+]CCCF)cc2)c(C)[nH+]1 ZINC001753589732 1440442380 /nfs/dbraw/zinc/44/23/80/1440442380.db2.gz LIRGCGXWYRLMFH-UHFFFAOYSA-N 2 2 343.446 3.386 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001753665359 1440460017 /nfs/dbraw/zinc/46/00/17/1440460017.db2.gz BQDITOPVLWZKNU-UHFFFAOYSA-N 2 2 342.487 3.403 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]CC3CCCCC3)ccn12 ZINC001753689669 1440466313 /nfs/dbraw/zinc/46/63/13/1440466313.db2.gz PHBSCWQRMGKRIP-OAHLLOKOSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cccc([C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001753742965 1440479778 /nfs/dbraw/zinc/47/97/78/1440479778.db2.gz BXQIMOOVBBOYPO-PKOBYXMFSA-N 2 2 342.487 3.073 20 0 EGADLP CC1CCC(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC001753789892 1440488817 /nfs/dbraw/zinc/48/88/17/1440488817.db2.gz GBGXICDSNQCDNA-ACBHZAAOSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001753814689 1440493536 /nfs/dbraw/zinc/49/35/36/1440493536.db2.gz VHBUEUVWMZWWSW-WMZOPIPTSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H]([NH2+]CC2CC(C)C2)C(C)C)c(C)[nH+]1 ZINC001753834814 1440500502 /nfs/dbraw/zinc/50/05/02/1440500502.db2.gz OHWXWNZCNSEDDY-ZTUNLMCQSA-N 2 2 331.504 3.397 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C(C)C)c(C)[nH+]1 ZINC001753834797 1440500512 /nfs/dbraw/zinc/50/05/12/1440500512.db2.gz NWNFTTDTUOEAJN-AWEZNQCLSA-N 2 2 345.409 3.303 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754137722 1440544014 /nfs/dbraw/zinc/54/40/14/1440544014.db2.gz NGEITWKCOKIQLI-RGDDUWESSA-N 2 2 328.460 3.121 20 0 EGADLP C[C@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC001754213617 1440551438 /nfs/dbraw/zinc/55/14/38/1440551438.db2.gz ZCXQSQKHYLBFJP-CHYADLBTSA-N 2 2 348.450 3.060 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)n1cc[nH+]c1 ZINC001754271834 1440561527 /nfs/dbraw/zinc/56/15/27/1440561527.db2.gz HAQQOFGFOZFWRK-FUHWJXTLSA-N 2 2 346.519 3.145 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315661 1440575199 /nfs/dbraw/zinc/57/51/99/1440575199.db2.gz JGLUAVKRRLFTML-WBVHZDCISA-N 2 2 348.516 3.169 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315661 1440575200 /nfs/dbraw/zinc/57/52/00/1440575200.db2.gz JGLUAVKRRLFTML-WBVHZDCISA-N 2 2 348.516 3.169 20 0 EGADLP C[C@@H](C[N@H+](C)CCCC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320572 1440577811 /nfs/dbraw/zinc/57/78/11/1440577811.db2.gz WSZZIMNLUZCXAT-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP C[C@@H](C[N@@H+](C)CCCC1CCCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001754320572 1440577812 /nfs/dbraw/zinc/57/78/12/1440577812.db2.gz WSZZIMNLUZCXAT-INIZCTEOSA-N 2 2 342.487 3.355 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754544053 1440626854 /nfs/dbraw/zinc/62/68/54/1440626854.db2.gz JSKAJBGHLLGIQG-IBMHEYTHSA-N 2 2 344.503 3.256 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001754544053 1440626855 /nfs/dbraw/zinc/62/68/55/1440626855.db2.gz JSKAJBGHLLGIQG-IBMHEYTHSA-N 2 2 344.503 3.256 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001754631290 1440648024 /nfs/dbraw/zinc/64/80/24/1440648024.db2.gz VWOLPNHVXZMMKM-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001754631290 1440648025 /nfs/dbraw/zinc/64/80/25/1440648025.db2.gz VWOLPNHVXZMMKM-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001754845604 1440699111 /nfs/dbraw/zinc/69/91/11/1440699111.db2.gz PJLWNBMVKYHBOV-KURKYZTESA-N 2 2 346.519 3.051 20 0 EGADLP C[C@H](CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001754845604 1440699112 /nfs/dbraw/zinc/69/91/12/1440699112.db2.gz PJLWNBMVKYHBOV-KURKYZTESA-N 2 2 346.519 3.051 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001754953067 1440715455 /nfs/dbraw/zinc/71/54/55/1440715455.db2.gz QLOHSLAQUZEUIQ-IYARVYRRSA-N 2 2 344.503 3.107 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001754953067 1440715456 /nfs/dbraw/zinc/71/54/56/1440715456.db2.gz QLOHSLAQUZEUIQ-IYARVYRRSA-N 2 2 344.503 3.107 20 0 EGADLP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001755165474 1440766801 /nfs/dbraw/zinc/76/68/01/1440766801.db2.gz MJKUNAXQTFPIRA-MSOLQXFVSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001755165474 1440766802 /nfs/dbraw/zinc/76/68/02/1440766802.db2.gz MJKUNAXQTFPIRA-MSOLQXFVSA-N 2 2 334.508 3.069 20 0 EGADLP CC(C)C[C@@H](C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001755212639 1440783569 /nfs/dbraw/zinc/78/35/69/1440783569.db2.gz ACHKACQQHNGMKZ-ABHNRTSZSA-N 2 2 348.535 3.391 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001755239736 1440789231 /nfs/dbraw/zinc/78/92/31/1440789231.db2.gz GQUAPKBIKXIIDQ-DLBZAZTESA-N 2 2 348.535 3.380 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2CCCCC2)c[nH+]1 ZINC001755239739 1440789269 /nfs/dbraw/zinc/78/92/69/1440789269.db2.gz GQUAPKBIKXIIDQ-SJORKVTESA-N 2 2 348.535 3.380 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001755241324 1440789545 /nfs/dbraw/zinc/78/95/45/1440789545.db2.gz YRELBYZOVCUSJG-CABCVRRESA-N 2 2 336.439 3.168 20 0 EGADLP CC(C)CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001755246604 1440790806 /nfs/dbraw/zinc/79/08/06/1440790806.db2.gz RLCYLTLGLJISDR-DLBZAZTESA-N 2 2 342.487 3.405 20 0 EGADLP C[C@@H](F)CC[NH2+]C1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001755274400 1440798559 /nfs/dbraw/zinc/79/85/59/1440798559.db2.gz AVSQNQYOIZHDCB-IUDNXUCKSA-N 2 2 346.450 3.284 20 0 EGADLP CCCCCC[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001755534852 1440868762 /nfs/dbraw/zinc/86/87/62/1440868762.db2.gz ZSISMWGQOVQIID-KRWDZBQOSA-N 2 2 334.508 3.337 20 0 EGADLP CCCCCC[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001755534852 1440868763 /nfs/dbraw/zinc/86/87/63/1440868763.db2.gz ZSISMWGQOVQIID-KRWDZBQOSA-N 2 2 334.508 3.337 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001755613843 1440888046 /nfs/dbraw/zinc/88/80/46/1440888046.db2.gz IDNIWDXYBPWSJA-HZPDHXFCSA-N 2 2 342.487 3.075 20 0 EGADLP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001755718610 1440906332 /nfs/dbraw/zinc/90/63/32/1440906332.db2.gz NNIIHPZLPRTEJU-WMZOPIPTSA-N 2 2 342.487 3.416 20 0 EGADLP CCCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001755718610 1440906333 /nfs/dbraw/zinc/90/63/33/1440906333.db2.gz NNIIHPZLPRTEJU-WMZOPIPTSA-N 2 2 342.487 3.416 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C)c(C)[nH+]1 ZINC001755828273 1440927821 /nfs/dbraw/zinc/92/78/21/1440927821.db2.gz DNWAXDOVPBVRBM-KIUWMYQTSA-N 2 2 337.895 3.493 20 0 EGADLP CN(C)c1cccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164629226 719059645 /nfs/dbraw/zinc/05/96/45/719059645.db2.gz WPKVLTXQRFXDCA-RTBURBONSA-N 2 2 336.483 3.248 20 0 EGADLP CN(C)c1cccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164629226 719059648 /nfs/dbraw/zinc/05/96/48/719059648.db2.gz WPKVLTXQRFXDCA-RTBURBONSA-N 2 2 336.483 3.248 20 0 EGADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(C)c(C)[nH+]1 ZINC001164864703 721011990 /nfs/dbraw/zinc/01/19/90/721011990.db2.gz ZCCNJMFTCOBVRD-HNNXBMFYSA-N 2 2 342.491 3.020 20 0 EGADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(C)c(C)[nH+]1 ZINC001164864703 721011994 /nfs/dbraw/zinc/01/19/94/721011994.db2.gz ZCCNJMFTCOBVRD-HNNXBMFYSA-N 2 2 342.491 3.020 20 0 EGADLP CCCOc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368132809 168315486 /nfs/dbraw/zinc/31/54/86/168315486.db2.gz HCOZKOFBBPZUOG-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP CCCOc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1OC ZINC000368132809 168315488 /nfs/dbraw/zinc/31/54/88/168315488.db2.gz HCOZKOFBBPZUOG-MRXNPFEDSA-N 2 2 329.444 3.207 20 0 EGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccccc1 ZINC000368453311 168358225 /nfs/dbraw/zinc/35/82/25/168358225.db2.gz FRWACOKGSPZLTE-GOEBONIOSA-N 2 2 340.471 3.075 20 0 EGADLP COc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000174397091 231198362 /nfs/dbraw/zinc/19/83/62/231198362.db2.gz DSKWQGKGCCTJKY-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000174397091 231198366 /nfs/dbraw/zinc/19/83/66/231198366.db2.gz DSKWQGKGCCTJKY-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000174397091 231198370 /nfs/dbraw/zinc/19/83/70/231198370.db2.gz DSKWQGKGCCTJKY-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000174397091 231198375 /nfs/dbraw/zinc/19/83/75/231198375.db2.gz DSKWQGKGCCTJKY-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000181093208 529899441 /nfs/dbraw/zinc/89/94/41/529899441.db2.gz WJGQBYQNRXFZGW-QGZVFWFLSA-N 2 2 346.862 3.054 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000181093208 529899442 /nfs/dbraw/zinc/89/94/42/529899442.db2.gz WJGQBYQNRXFZGW-QGZVFWFLSA-N 2 2 346.862 3.054 20 0 EGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000179667583 529893632 /nfs/dbraw/zinc/89/36/32/529893632.db2.gz ITPBVQAGSILWDS-UHFFFAOYSA-N 2 2 346.446 3.364 20 0 EGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000179667583 529893634 /nfs/dbraw/zinc/89/36/34/529893634.db2.gz ITPBVQAGSILWDS-UHFFFAOYSA-N 2 2 346.446 3.364 20 0 EGADLP [NH3+]Cc1ccc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000178658226 232347630 /nfs/dbraw/zinc/34/76/30/232347630.db2.gz VIMQTNNBYLRUMO-UHFFFAOYSA-N 2 2 334.423 3.474 20 0 EGADLP CCCc1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000371496341 168616565 /nfs/dbraw/zinc/61/65/65/168616565.db2.gz ZPYJUQJXJQMMDA-UHFFFAOYSA-N 2 2 337.533 3.030 20 0 EGADLP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000034991084 213003973 /nfs/dbraw/zinc/00/39/73/213003973.db2.gz MCEMVLXUQQATAT-UHFFFAOYSA-N 2 2 337.208 3.092 20 0 EGADLP C[C@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CCOCC1 ZINC000378166183 299283391 /nfs/dbraw/zinc/28/33/91/299283391.db2.gz PZRJYUMLLNWREN-KRWDZBQOSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CCOCC1 ZINC000378166183 299283395 /nfs/dbraw/zinc/28/33/95/299283395.db2.gz PZRJYUMLLNWREN-KRWDZBQOSA-N 2 2 338.536 3.205 20 0 EGADLP C[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936823 291214371 /nfs/dbraw/zinc/21/43/71/291214371.db2.gz LWXWTDGEZPWVPW-NYUZSIGZSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936823 291214372 /nfs/dbraw/zinc/21/43/72/291214372.db2.gz LWXWTDGEZPWVPW-NYUZSIGZSA-N 2 2 326.843 3.239 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000345291620 299318577 /nfs/dbraw/zinc/31/85/77/299318577.db2.gz BLYAMASDIXVFBB-IYOUNJFTSA-N 2 2 347.894 3.202 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)c1ccc(Cl)cn1 ZINC000345291620 299318580 /nfs/dbraw/zinc/31/85/80/299318580.db2.gz BLYAMASDIXVFBB-IYOUNJFTSA-N 2 2 347.894 3.202 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000130933074 223189317 /nfs/dbraw/zinc/18/93/17/223189317.db2.gz QQSMKZLGGRNZAN-CYBMUJFWSA-N 2 2 338.908 3.137 20 0 EGADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000130933074 223189319 /nfs/dbraw/zinc/18/93/19/223189319.db2.gz QQSMKZLGGRNZAN-CYBMUJFWSA-N 2 2 338.908 3.137 20 0 EGADLP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000191518547 239162515 /nfs/dbraw/zinc/16/25/15/239162515.db2.gz LIJCIJWJZQIRLU-UHFFFAOYSA-N 2 2 331.410 3.157 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cs2)CC1 ZINC000193995486 240392769 /nfs/dbraw/zinc/39/27/69/240392769.db2.gz JOTOUZOXUXRWRX-LLVKDONJSA-N 2 2 347.322 3.272 20 0 EGADLP Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000132945402 223375587 /nfs/dbraw/zinc/37/55/87/223375587.db2.gz JRDOLOWPNMZPTJ-IRXDYDNUSA-N 2 2 332.492 3.088 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246346675 243234777 /nfs/dbraw/zinc/23/47/77/243234777.db2.gz IRAULVLDMIFSLL-NEPJUHHUSA-N 2 2 344.286 3.204 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246346675 243234788 /nfs/dbraw/zinc/23/47/88/243234788.db2.gz IRAULVLDMIFSLL-NEPJUHHUSA-N 2 2 344.286 3.204 20 0 EGADLP c1coc([C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000110113680 220017708 /nfs/dbraw/zinc/01/77/08/220017708.db2.gz JCMIMGCOXRPPPG-INIZCTEOSA-N 2 2 341.459 3.309 20 0 EGADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000078448909 217054358 /nfs/dbraw/zinc/05/43/58/217054358.db2.gz SPCBKTUHRIYYTQ-UHFFFAOYSA-N 2 2 338.451 3.212 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000080959120 217345178 /nfs/dbraw/zinc/34/51/78/217345178.db2.gz KYTLKMUPAIYZKJ-ZDUSSCGKSA-N 2 2 332.835 3.271 20 0 EGADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Cl)cc1 ZINC000080959120 217345181 /nfs/dbraw/zinc/34/51/81/217345181.db2.gz KYTLKMUPAIYZKJ-ZDUSSCGKSA-N 2 2 332.835 3.271 20 0 EGADLP COc1ccnc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000266534224 248349109 /nfs/dbraw/zinc/34/91/09/248349109.db2.gz GTFYDUWXDPEWLT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccnc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000266534224 248349111 /nfs/dbraw/zinc/34/91/11/248349111.db2.gz GTFYDUWXDPEWLT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000266534224 248349112 /nfs/dbraw/zinc/34/91/12/248349112.db2.gz GTFYDUWXDPEWLT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP COc1ccnc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000266534224 248349114 /nfs/dbraw/zinc/34/91/14/248349114.db2.gz GTFYDUWXDPEWLT-GOSISDBHSA-N 2 2 325.456 3.044 20 0 EGADLP CC(C)n1cc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000377543234 169039164 /nfs/dbraw/zinc/03/91/64/169039164.db2.gz QGOGUMXGVKQOSX-KRWDZBQOSA-N 2 2 333.524 3.336 20 0 EGADLP CC(C)n1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1 ZINC000377543234 169039166 /nfs/dbraw/zinc/03/91/66/169039166.db2.gz QGOGUMXGVKQOSX-KRWDZBQOSA-N 2 2 333.524 3.336 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC(F)F)c1 ZINC000092253484 218130481 /nfs/dbraw/zinc/13/04/81/218130481.db2.gz AZEBUXDGFUCEBO-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC(F)F)c1 ZINC000092253484 218130483 /nfs/dbraw/zinc/13/04/83/218130483.db2.gz AZEBUXDGFUCEBO-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(OC(F)F)c1 ZINC000092253484 218130485 /nfs/dbraw/zinc/13/04/85/218130485.db2.gz AZEBUXDGFUCEBO-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(OC(F)F)c1 ZINC000092253484 218130488 /nfs/dbraw/zinc/13/04/88/218130488.db2.gz AZEBUXDGFUCEBO-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253636 218130983 /nfs/dbraw/zinc/13/09/83/218130983.db2.gz DCQKLLGOYDDSON-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(OC(F)F)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253636 218130984 /nfs/dbraw/zinc/13/09/84/218130984.db2.gz DCQKLLGOYDDSON-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000092253636 218130986 /nfs/dbraw/zinc/13/09/86/218130986.db2.gz DCQKLLGOYDDSON-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092253636 218130987 /nfs/dbraw/zinc/13/09/87/218130987.db2.gz DCQKLLGOYDDSON-ZDUSSCGKSA-N 2 2 328.403 3.070 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1OC(F)F ZINC000093597510 218234500 /nfs/dbraw/zinc/23/45/00/218234500.db2.gz PSIVIIPTNAKRKD-AWEZNQCLSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1OC(F)F ZINC000093597510 218234502 /nfs/dbraw/zinc/23/45/02/218234502.db2.gz PSIVIIPTNAKRKD-AWEZNQCLSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000093683765 218242266 /nfs/dbraw/zinc/24/22/66/218242266.db2.gz BICGHPAWLRBSDP-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000093683765 218242267 /nfs/dbraw/zinc/24/22/67/218242267.db2.gz BICGHPAWLRBSDP-INIZCTEOSA-N 2 2 348.487 3.020 20 0 EGADLP COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000268746529 252197048 /nfs/dbraw/zinc/19/70/48/252197048.db2.gz HWUYZFDWKJJBJU-FOIQADDNSA-N 2 2 337.423 3.265 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)nnn1-c1ccc(Cl)cc1 ZINC000268793233 252246473 /nfs/dbraw/zinc/24/64/73/252246473.db2.gz DZORGRJLHNOLEW-QWHCGFSZSA-N 2 2 344.850 3.165 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797834 252249546 /nfs/dbraw/zinc/24/95/46/252249546.db2.gz FKGXVMUERAOTEI-PXNSSMCTSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797834 252249552 /nfs/dbraw/zinc/24/95/52/252249552.db2.gz FKGXVMUERAOTEI-PXNSSMCTSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797835 252250169 /nfs/dbraw/zinc/25/01/69/252250169.db2.gz FKGXVMUERAOTEI-XLIONFOSSA-N 2 2 337.467 3.125 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000268797835 252250173 /nfs/dbraw/zinc/25/01/73/252250173.db2.gz FKGXVMUERAOTEI-XLIONFOSSA-N 2 2 337.467 3.125 20 0 EGADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268844393 252292895 /nfs/dbraw/zinc/29/28/95/252292895.db2.gz BHOSGQZECKIAOO-MAUKXSAKSA-N 2 2 349.544 3.178 20 0 EGADLP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268844393 252292897 /nfs/dbraw/zinc/29/28/97/252292897.db2.gz BHOSGQZECKIAOO-MAUKXSAKSA-N 2 2 349.544 3.178 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)c1 ZINC000181087907 533069571 /nfs/dbraw/zinc/06/95/71/533069571.db2.gz RNYTUKQBOFHRLP-CQSZACIVSA-N 2 2 338.411 3.115 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000097236860 219002768 /nfs/dbraw/zinc/00/27/68/219002768.db2.gz NJUSHDXBEHVEIP-MRXNPFEDSA-N 2 2 335.455 3.265 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000097236860 219002770 /nfs/dbraw/zinc/00/27/70/219002770.db2.gz NJUSHDXBEHVEIP-MRXNPFEDSA-N 2 2 335.455 3.265 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112630834 220360806 /nfs/dbraw/zinc/36/08/06/220360806.db2.gz WLSMLYPZLQFJJN-HNNXBMFYSA-N 2 2 337.423 3.088 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112630834 220360814 /nfs/dbraw/zinc/36/08/14/220360814.db2.gz WLSMLYPZLQFJJN-HNNXBMFYSA-N 2 2 337.423 3.088 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611697 285262933 /nfs/dbraw/zinc/26/29/33/285262933.db2.gz RLHRWANUOVKAPQ-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611697 285262937 /nfs/dbraw/zinc/26/29/37/285262937.db2.gz RLHRWANUOVKAPQ-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611697 285262938 /nfs/dbraw/zinc/26/29/38/285262938.db2.gz RLHRWANUOVKAPQ-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)CC2(OC)CCCC2)[C@@H]1c1cnn(C)c1 ZINC000361611697 285262941 /nfs/dbraw/zinc/26/29/41/285262941.db2.gz RLHRWANUOVKAPQ-IEBWSBKVSA-N 2 2 348.535 3.084 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000118994375 221219294 /nfs/dbraw/zinc/21/92/94/221219294.db2.gz FTGQKLKAXAYJIJ-JMSVASOKSA-N 2 2 328.403 3.115 20 0 EGADLP COc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000118994375 221219296 /nfs/dbraw/zinc/21/92/96/221219296.db2.gz FTGQKLKAXAYJIJ-JMSVASOKSA-N 2 2 328.403 3.115 20 0 EGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000187106314 533384642 /nfs/dbraw/zinc/38/46/42/533384642.db2.gz JPOWRJBANQHOKT-UHFFFAOYSA-N 2 2 339.277 3.174 20 0 EGADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(F)cc1N(C)C ZINC000130658367 533405980 /nfs/dbraw/zinc/40/59/80/533405980.db2.gz XXEDDBSJPCNKBN-CQSZACIVSA-N 2 2 326.419 3.433 20 0 EGADLP Cc1cccc(NCCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)[nH+]1 ZINC000346225564 141185031 /nfs/dbraw/zinc/18/50/31/141185031.db2.gz UQTGMSXTKYSHON-UHFFFAOYSA-N 2 2 348.406 3.419 20 0 EGADLP CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978704 141227683 /nfs/dbraw/zinc/22/76/83/141227683.db2.gz ZJSHNSSFAOCQAC-DOTOQJQBSA-N 2 2 344.434 3.028 20 0 EGADLP CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1[nH]cc[nH+]1 ZINC000347978704 141227684 /nfs/dbraw/zinc/22/76/84/141227684.db2.gz ZJSHNSSFAOCQAC-DOTOQJQBSA-N 2 2 344.434 3.028 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000348037820 141234967 /nfs/dbraw/zinc/23/49/67/141234967.db2.gz LESNYGMNWGTSCA-UHFFFAOYSA-N 2 2 330.403 3.161 20 0 EGADLP Cc1ccc(NC(=O)N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000359612686 141385840 /nfs/dbraw/zinc/38/58/40/141385840.db2.gz SBTKQRNUWIVIHD-IBGZPJMESA-N 2 2 344.503 3.019 20 0 EGADLP Cc1ccc(NC(=O)N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000359612686 141385841 /nfs/dbraw/zinc/38/58/41/141385841.db2.gz SBTKQRNUWIVIHD-IBGZPJMESA-N 2 2 344.503 3.019 20 0 EGADLP FC(F)(F)C1CCC(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185517742 144113843 /nfs/dbraw/zinc/11/38/43/144113843.db2.gz CNKXZNZZBWKKBO-HWOWSKLDSA-N 2 2 334.426 3.009 20 0 EGADLP FC(F)(F)C1CCC(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185517742 144113844 /nfs/dbraw/zinc/11/38/44/144113844.db2.gz CNKXZNZZBWKKBO-HWOWSKLDSA-N 2 2 334.426 3.009 20 0 EGADLP CN1C(=O)CCc2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)ccc21 ZINC000187160720 144153712 /nfs/dbraw/zinc/15/37/12/144153712.db2.gz WGWSCKFJQMCMRJ-UHFFFAOYSA-N 2 2 346.434 3.071 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000192539950 144176358 /nfs/dbraw/zinc/17/63/58/144176358.db2.gz WZRGDJRBRYZQBH-UHFFFAOYSA-N 2 2 341.846 3.013 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@@H+]1C ZINC000344624505 144201351 /nfs/dbraw/zinc/20/13/51/144201351.db2.gz IXUGBKKYTPRGDI-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[N@H+]1C ZINC000344624505 144201352 /nfs/dbraw/zinc/20/13/52/144201352.db2.gz IXUGBKKYTPRGDI-QFBILLFUSA-N 2 2 325.456 3.233 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)c2)c[nH+]1 ZINC000344819751 144228226 /nfs/dbraw/zinc/22/82/26/144228226.db2.gz BEBURXGJXLOGBK-ZDUSSCGKSA-N 2 2 341.440 3.184 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)c2)c[nH+]1 ZINC000344819751 144228228 /nfs/dbraw/zinc/22/82/28/144228228.db2.gz BEBURXGJXLOGBK-ZDUSSCGKSA-N 2 2 341.440 3.184 20 0 EGADLP COC[C@H]1CCCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000344900700 144240081 /nfs/dbraw/zinc/24/00/81/144240081.db2.gz XPFBDBNVFPRJAY-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@H]1CCCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000344900700 144240083 /nfs/dbraw/zinc/24/00/83/144240083.db2.gz XPFBDBNVFPRJAY-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@H]1CCCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000344900700 144240084 /nfs/dbraw/zinc/24/00/84/144240084.db2.gz XPFBDBNVFPRJAY-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP COC[C@H]1CCCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000344900700 144240087 /nfs/dbraw/zinc/24/00/87/144240087.db2.gz XPFBDBNVFPRJAY-HNNXBMFYSA-N 2 2 337.533 3.158 20 0 EGADLP C[N@H+](CC(c1ccccc1)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000351481540 144267182 /nfs/dbraw/zinc/26/71/82/144267182.db2.gz ZPJQJCSDOBWJIX-UHFFFAOYSA-N 2 2 338.495 3.207 20 0 EGADLP C[N@@H+](CC(c1ccccc1)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000351481540 144267183 /nfs/dbraw/zinc/26/71/83/144267183.db2.gz ZPJQJCSDOBWJIX-UHFFFAOYSA-N 2 2 338.495 3.207 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572584 144281715 /nfs/dbraw/zinc/28/17/15/144281715.db2.gz FIRNLMDVFKKLSI-WIYYLYMNSA-N 2 2 342.458 3.154 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)C1CC1 ZINC000351572584 144281716 /nfs/dbraw/zinc/28/17/16/144281716.db2.gz FIRNLMDVFKKLSI-WIYYLYMNSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860591 144317225 /nfs/dbraw/zinc/31/72/25/144317225.db2.gz JHAFWMAICNELHV-DLBZAZTESA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000351860591 144317226 /nfs/dbraw/zinc/31/72/26/144317226.db2.gz JHAFWMAICNELHV-DLBZAZTESA-N 2 2 329.488 3.021 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Oc1cccc(F)c1 ZINC000361698899 144351040 /nfs/dbraw/zinc/35/10/40/144351040.db2.gz LVKNOKIUMQYGPW-MRXNPFEDSA-N 2 2 343.446 3.242 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000364066005 144389101 /nfs/dbraw/zinc/38/91/01/144389101.db2.gz LSQVXGAEFDAWLJ-UMSONDCASA-N 2 2 328.500 3.302 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000364066005 144389103 /nfs/dbraw/zinc/38/91/03/144389103.db2.gz LSQVXGAEFDAWLJ-UMSONDCASA-N 2 2 328.500 3.302 20 0 EGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)CC(C)C ZINC000341211972 155210541 /nfs/dbraw/zinc/21/05/41/155210541.db2.gz JKVYNQKEZQNORU-IRXDYDNUSA-N 2 2 349.523 3.055 20 0 EGADLP Cc1ccccc1OCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341416625 155281325 /nfs/dbraw/zinc/28/13/25/155281325.db2.gz CRQLEZYFYLIDRS-UHFFFAOYSA-N 2 2 339.483 3.413 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](CO)CC2CCCC2)n1-c1ccccc1 ZINC000341450668 155299762 /nfs/dbraw/zinc/29/97/62/155299762.db2.gz FSONHGVQHRRYKB-SFHVURJKSA-N 2 2 327.472 3.459 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)C[N@@H+]1C1CC1 ZINC000119619080 152218323 /nfs/dbraw/zinc/21/83/23/152218323.db2.gz MNGARXQFZGQIEG-WBVHZDCISA-N 2 2 325.456 3.219 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CCCOc2cccc3cccnc32)C[N@H+]1C1CC1 ZINC000119619080 152218328 /nfs/dbraw/zinc/21/83/28/152218328.db2.gz MNGARXQFZGQIEG-WBVHZDCISA-N 2 2 325.456 3.219 20 0 EGADLP CCCN(CC[NH+](CC)CC)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000120825187 152301789 /nfs/dbraw/zinc/30/17/89/152301789.db2.gz GABZBPDGZAXSEZ-UHFFFAOYSA-N 2 2 328.460 3.066 20 0 EGADLP Cc1cc[nH+]c(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000120894205 152307784 /nfs/dbraw/zinc/30/77/84/152307784.db2.gz SOJBRFKMQKHJJK-UHFFFAOYSA-N 2 2 333.439 3.102 20 0 EGADLP C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121370376 152345997 /nfs/dbraw/zinc/34/59/97/152345997.db2.gz QGTNRLQIROIKQY-INIZCTEOSA-N 2 2 325.456 3.367 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000191316255 153186551 /nfs/dbraw/zinc/18/65/51/153186551.db2.gz JGOUVOSKHFZXKJ-HXUWFJFHSA-N 2 2 344.499 3.020 20 0 EGADLP c1cc(OCC2CC2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000191316255 153186558 /nfs/dbraw/zinc/18/65/58/153186558.db2.gz JGOUVOSKHFZXKJ-HXUWFJFHSA-N 2 2 344.499 3.020 20 0 EGADLP CCN(C)c1ccc(CNc2[nH+]c3ccccc3n2CCOC)c[nH+]1 ZINC000191569500 153208215 /nfs/dbraw/zinc/20/82/15/153208215.db2.gz HLMZNNLPBUEKJU-UHFFFAOYSA-N 2 2 339.443 3.146 20 0 EGADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000303598644 154051118 /nfs/dbraw/zinc/05/11/18/154051118.db2.gz AABHQRLEXAYJSR-UHFFFAOYSA-N 2 2 334.435 3.452 20 0 EGADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000303598644 154051123 /nfs/dbraw/zinc/05/11/23/154051123.db2.gz AABHQRLEXAYJSR-UHFFFAOYSA-N 2 2 334.435 3.452 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810225 154179834 /nfs/dbraw/zinc/17/98/34/154179834.db2.gz KANOECNVICWPTR-BJJXKVORSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC(F)(F)F)cc1 ZINC000325810225 154179838 /nfs/dbraw/zinc/17/98/38/154179838.db2.gz KANOECNVICWPTR-BJJXKVORSA-N 2 2 344.377 3.099 20 0 EGADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CC[NH+]3CCCC3)cc2)n1 ZINC000337280915 154257889 /nfs/dbraw/zinc/25/78/89/154257889.db2.gz IVSVNQLYICHHNR-UHFFFAOYSA-N 2 2 338.377 3.077 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1CCC(C)(C)CC1 ZINC000337360595 154306618 /nfs/dbraw/zinc/30/66/18/154306618.db2.gz FICRFBSCYYSABD-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1CCC(C)(C)CC1 ZINC000337360595 154306621 /nfs/dbraw/zinc/30/66/21/154306621.db2.gz FICRFBSCYYSABD-UHFFFAOYSA-N 2 2 337.552 3.077 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017845 156251960 /nfs/dbraw/zinc/25/19/60/156251960.db2.gz KOZKBPFBQDHBAY-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(Cl)c1OC ZINC000347017845 156251967 /nfs/dbraw/zinc/25/19/67/156251967.db2.gz KOZKBPFBQDHBAY-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347036569 156259053 /nfs/dbraw/zinc/25/90/53/156259053.db2.gz HCGBNAYHPYMDCG-AWEZNQCLSA-N 2 2 332.879 3.172 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000347036569 156259055 /nfs/dbraw/zinc/25/90/55/156259055.db2.gz HCGBNAYHPYMDCG-AWEZNQCLSA-N 2 2 332.879 3.172 20 0 EGADLP CCOC1CC2(C1)CC[N@@H+](Cc1nc3c(s1)C[NH+](C(C)C)CC3)C2 ZINC000348870523 156269084 /nfs/dbraw/zinc/26/90/84/156269084.db2.gz SXPKMXQAGZEZPE-UHFFFAOYSA-N 2 2 349.544 3.301 20 0 EGADLP CCOC1CC2(C1)CC[NH+](Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)C2 ZINC000348870523 156269086 /nfs/dbraw/zinc/26/90/86/156269086.db2.gz SXPKMXQAGZEZPE-UHFFFAOYSA-N 2 2 349.544 3.301 20 0 EGADLP CCOC1CC2(C1)CC[NH+](Cc1nc3c(s1)C[N@H+](C(C)C)CC3)C2 ZINC000348870523 156269088 /nfs/dbraw/zinc/26/90/88/156269088.db2.gz SXPKMXQAGZEZPE-UHFFFAOYSA-N 2 2 349.544 3.301 20 0 EGADLP Cc1ccc2[nH+]cc(CN(CC[NH+](C)C)Cc3ccccc3F)n2c1 ZINC000348921935 156290356 /nfs/dbraw/zinc/29/03/56/156290356.db2.gz PPOIUCPKXIVVFK-UHFFFAOYSA-N 2 2 340.446 3.346 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000352782480 156485931 /nfs/dbraw/zinc/48/59/31/156485931.db2.gz VIARYJPCUCJIFL-NSHDSACASA-N 2 2 335.311 3.048 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000352782480 156485934 /nfs/dbraw/zinc/48/59/34/156485934.db2.gz VIARYJPCUCJIFL-NSHDSACASA-N 2 2 335.311 3.048 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365625083 157197248 /nfs/dbraw/zinc/19/72/48/157197248.db2.gz HLFPZLYZSDIFDY-QGZVFWFLSA-N 2 2 340.471 3.362 20 0 EGADLP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365625083 157197253 /nfs/dbraw/zinc/19/72/53/157197253.db2.gz HLFPZLYZSDIFDY-QGZVFWFLSA-N 2 2 340.471 3.362 20 0 EGADLP C[C@@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)Cn1cc[nH+]c1 ZINC000067500473 161595651 /nfs/dbraw/zinc/59/56/51/161595651.db2.gz CAMNPOMSEAAJMX-KRWDZBQOSA-N 2 2 336.439 3.283 20 0 EGADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cccc(Cl)c1 ZINC000109792563 162112754 /nfs/dbraw/zinc/11/27/54/162112754.db2.gz RCHLAYUGKAGOHE-UHFFFAOYSA-N 2 2 332.835 3.202 20 0 EGADLP Cn1c(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc2c1cccc2F ZINC000113358936 162209034 /nfs/dbraw/zinc/20/90/34/162209034.db2.gz ULCYIYMJZFWREB-UHFFFAOYSA-N 2 2 349.413 3.230 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000249064311 163053922 /nfs/dbraw/zinc/05/39/22/163053922.db2.gz ZCBHXYWMGPPFCP-HAGHYFMRSA-N 2 2 340.467 3.203 20 0 EGADLP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000249064311 163053925 /nfs/dbraw/zinc/05/39/25/163053925.db2.gz ZCBHXYWMGPPFCP-HAGHYFMRSA-N 2 2 340.467 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cnc2ccsc2c1 ZINC000305170357 163075863 /nfs/dbraw/zinc/07/58/63/163075863.db2.gz ZQICKRZPHXPNLB-GDBMZVCRSA-N 2 2 333.501 3.040 20 0 EGADLP [NH3+][C@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000337066371 163119990 /nfs/dbraw/zinc/11/99/90/163119990.db2.gz KCEHGRNRGONYRB-MOPGFXCFSA-N 2 2 348.450 3.096 20 0 EGADLP [NH3+][C@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000337066371 163119992 /nfs/dbraw/zinc/11/99/92/163119992.db2.gz KCEHGRNRGONYRB-MOPGFXCFSA-N 2 2 348.450 3.096 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157361210 287002092 /nfs/dbraw/zinc/00/20/92/287002092.db2.gz YHRVMMCEFXPZLY-QRVBRYPASA-N 2 2 335.536 3.116 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157361210 287002095 /nfs/dbraw/zinc/00/20/95/287002095.db2.gz YHRVMMCEFXPZLY-QRVBRYPASA-N 2 2 335.536 3.116 20 0 EGADLP Cc1[nH+]c2ccc(C(=O)N3CC[NH+](CCC(C)(C)C)CC3)cc2n1C ZINC000354821474 166040648 /nfs/dbraw/zinc/04/06/48/166040648.db2.gz TYFNUELNDRRWSR-UHFFFAOYSA-N 2 2 342.487 3.076 20 0 EGADLP C[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@H]1CCC[NH+](C)C1 ZINC000346298096 164365378 /nfs/dbraw/zinc/36/53/78/164365378.db2.gz APMZFJZREDFFSG-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP C[N@H+](Cc1ccc(Oc2ccccc2)nn1)C[C@H]1CCC[NH+](C)C1 ZINC000346298096 164365379 /nfs/dbraw/zinc/36/53/79/164365379.db2.gz APMZFJZREDFFSG-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP C[NH+](Cc1ccc(Oc2ccccc2)nn1)C[C@H]1CCC[N@H+](C)C1 ZINC000346298096 164365380 /nfs/dbraw/zinc/36/53/80/164365380.db2.gz APMZFJZREDFFSG-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP C[NH+](Cc1ccc(Oc2ccccc2)nn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000346298096 164365381 /nfs/dbraw/zinc/36/53/81/164365381.db2.gz APMZFJZREDFFSG-INIZCTEOSA-N 2 2 326.444 3.043 20 0 EGADLP Fc1ccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(F)c1F ZINC000346333075 164370239 /nfs/dbraw/zinc/37/02/39/164370239.db2.gz PHXRGIHJMPHDGH-UHFFFAOYSA-N 2 2 349.400 3.296 20 0 EGADLP CCCc1nc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cs1 ZINC000350257133 165022584 /nfs/dbraw/zinc/02/25/84/165022584.db2.gz SPMCLGKTDZQDEW-INIZCTEOSA-N 2 2 325.522 3.028 20 0 EGADLP CCCc1nc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cs1 ZINC000350257133 165022587 /nfs/dbraw/zinc/02/25/87/165022587.db2.gz SPMCLGKTDZQDEW-INIZCTEOSA-N 2 2 325.522 3.028 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncc(Cl)s3)CC2)C[C@H](C)O1 ZINC000351989197 165182754 /nfs/dbraw/zinc/18/27/54/165182754.db2.gz QXIPLIIAGIEPGG-BETUJISGSA-N 2 2 343.924 3.118 20 0 EGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncc(Cl)s3)CC2)C[C@H](C)O1 ZINC000351989197 165182758 /nfs/dbraw/zinc/18/27/58/165182758.db2.gz QXIPLIIAGIEPGG-BETUJISGSA-N 2 2 343.924 3.118 20 0 EGADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000352319270 165340414 /nfs/dbraw/zinc/34/04/14/165340414.db2.gz HTTPNDLXAQWIJC-UHFFFAOYSA-N 2 2 341.503 3.281 20 0 EGADLP C[C@@H](c1ccccc1Br)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340710927 287149311 /nfs/dbraw/zinc/14/93/11/287149311.db2.gz HPUDPILOODVSGS-ZDUSSCGKSA-N 2 2 349.276 3.066 20 0 EGADLP Cc1ccc(CN2CC[C@@H]([NH2+]CCCc3ccc(C)[nH+]c3)C2=O)cc1 ZINC000355138063 166115864 /nfs/dbraw/zinc/11/58/64/166115864.db2.gz RCPYHBUIGAVHEA-HXUWFJFHSA-N 2 2 337.467 3.022 20 0 EGADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cn2cc[nH+]c12 ZINC000355400427 166186345 /nfs/dbraw/zinc/18/63/45/166186345.db2.gz HLQXABQVOONHKX-OAHLLOKOSA-N 2 2 334.423 3.028 20 0 EGADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cn2cc[nH+]c12 ZINC000355400427 166186349 /nfs/dbraw/zinc/18/63/49/166186349.db2.gz HLQXABQVOONHKX-OAHLLOKOSA-N 2 2 334.423 3.028 20 0 EGADLP C[NH+](C)Cc1ccc(-c2noc(Cc3cn4ccccc4[nH+]3)n2)cc1 ZINC000355587596 166252269 /nfs/dbraw/zinc/25/22/69/166252269.db2.gz QKXMBPSYZZBIQM-UHFFFAOYSA-N 2 2 333.395 3.037 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000359079787 167060826 /nfs/dbraw/zinc/06/08/26/167060826.db2.gz NNYFXCXUIOKPPR-UHFFFAOYSA-N 2 2 341.293 3.423 20 0 EGADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000359662067 167204979 /nfs/dbraw/zinc/20/49/79/167204979.db2.gz IVMJVNNJRUTMGG-FGTMMUONSA-N 2 2 342.487 3.022 20 0 EGADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000359662067 167204981 /nfs/dbraw/zinc/20/49/81/167204981.db2.gz IVMJVNNJRUTMGG-FGTMMUONSA-N 2 2 342.487 3.022 20 0 EGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000360484474 167339819 /nfs/dbraw/zinc/33/98/19/167339819.db2.gz QYEPPRGAGNGRSG-GOSISDBHSA-N 2 2 347.422 3.075 20 0 EGADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000360484474 167339821 /nfs/dbraw/zinc/33/98/21/167339821.db2.gz QYEPPRGAGNGRSG-GOSISDBHSA-N 2 2 347.422 3.075 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365803051 168045051 /nfs/dbraw/zinc/04/50/51/168045051.db2.gz WOWDHEHGIWTVCH-JOCHJYFZSA-N 2 2 347.462 3.317 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365803051 168045053 /nfs/dbraw/zinc/04/50/53/168045053.db2.gz WOWDHEHGIWTVCH-JOCHJYFZSA-N 2 2 347.462 3.317 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000365834763 168050336 /nfs/dbraw/zinc/05/03/36/168050336.db2.gz SSPLHJLCBIPCHT-AWEZNQCLSA-N 2 2 339.418 3.329 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000365834763 168050339 /nfs/dbraw/zinc/05/03/39/168050339.db2.gz SSPLHJLCBIPCHT-AWEZNQCLSA-N 2 2 339.418 3.329 20 0 EGADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439775 168225985 /nfs/dbraw/zinc/22/59/85/168225985.db2.gz WXMAHQIDRJNVOH-KRWDZBQOSA-N 2 2 331.435 3.096 20 0 EGADLP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000165295849 226119070 /nfs/dbraw/zinc/11/90/70/226119070.db2.gz SJAGLPAOXLZZBI-GOSISDBHSA-N 3 2 347.522 3.154 20 0 EGADLP COc1cc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)ccc1C ZINC000178886705 265346894 /nfs/dbraw/zinc/34/68/94/265346894.db2.gz SJKUGPRBZCUKEK-UHFFFAOYSA-N 2 2 346.394 3.140 20 0 EGADLP Cc1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc[nH+]1 ZINC000179792467 265388954 /nfs/dbraw/zinc/38/89/54/265388954.db2.gz DYSILQOUCCJYRW-MRXNPFEDSA-N 2 2 332.835 3.468 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H](c1ccccc1)[NH+](C)C ZINC000185677457 265499553 /nfs/dbraw/zinc/49/95/53/265499553.db2.gz DSLJEPBJZGJBPA-FOIQADDNSA-N 2 2 326.440 3.239 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121761 266262190 /nfs/dbraw/zinc/26/21/90/266262190.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000250121761 266262191 /nfs/dbraw/zinc/26/21/91/266262191.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000250121761 266262194 /nfs/dbraw/zinc/26/21/94/266262194.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000250121761 266262197 /nfs/dbraw/zinc/26/21/97/266262197.db2.gz VKOYWZVIPGRYMP-VURPSTOHSA-N 3 2 329.532 3.359 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000269640150 266332357 /nfs/dbraw/zinc/33/23/57/266332357.db2.gz NVEOLJCEZNTFST-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000269640150 266332359 /nfs/dbraw/zinc/33/23/59/266332359.db2.gz NVEOLJCEZNTFST-CYBMUJFWSA-N 2 2 337.370 3.399 20 0 EGADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000269917151 266381879 /nfs/dbraw/zinc/38/18/79/266381879.db2.gz LMSHIKNZCGNCLR-UGSOOPFHSA-N 2 2 336.426 3.043 20 0 EGADLP CCc1ccc(-c2noc([C@H](C)[NH2+]CCn3cc[nH+]c3C)n2)cc1 ZINC000273333211 267023061 /nfs/dbraw/zinc/02/30/61/267023061.db2.gz SWLFJPWWUUNKRO-ZDUSSCGKSA-N 2 2 325.416 3.155 20 0 EGADLP Cc1cnc([C@@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000273436361 267038902 /nfs/dbraw/zinc/03/89/02/267038902.db2.gz YMDKYTAXHJMYGL-CABCVRRESA-N 2 2 344.484 3.130 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274783560 267286456 /nfs/dbraw/zinc/28/64/56/267286456.db2.gz AEGXINXGHYAVAJ-HKUYNNGSSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274783560 267286459 /nfs/dbraw/zinc/28/64/59/267286459.db2.gz AEGXINXGHYAVAJ-HKUYNNGSSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274783567 267286688 /nfs/dbraw/zinc/28/66/88/267286688.db2.gz AEGXINXGHYAVAJ-MJGOQNOKSA-N 2 2 326.488 3.464 20 0 EGADLP CC(C)n1ccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274783567 267286690 /nfs/dbraw/zinc/28/66/90/267286690.db2.gz AEGXINXGHYAVAJ-MJGOQNOKSA-N 2 2 326.488 3.464 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000278384160 268001360 /nfs/dbraw/zinc/00/13/60/268001360.db2.gz FJUDEXYQOPXQQJ-YJBOKZPZSA-N 2 2 345.487 3.019 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000278384160 268001362 /nfs/dbraw/zinc/00/13/62/268001362.db2.gz FJUDEXYQOPXQQJ-YJBOKZPZSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cc(C)nc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278571149 268042843 /nfs/dbraw/zinc/04/28/43/268042843.db2.gz CDQZQMHAQJRITF-UHFFFAOYSA-N 2 2 327.428 3.145 20 0 EGADLP COc1cc(C)[nH+]c(CN2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278571149 268042847 /nfs/dbraw/zinc/04/28/47/268042847.db2.gz CDQZQMHAQJRITF-UHFFFAOYSA-N 2 2 327.428 3.145 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)C[C@@H](C)O1 ZINC000119852222 274347832 /nfs/dbraw/zinc/34/78/32/274347832.db2.gz IDVRRBMOXYKQQJ-CKEIUWERSA-N 2 2 338.492 3.452 20 0 EGADLP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000188764427 275218848 /nfs/dbraw/zinc/21/88/48/275218848.db2.gz QVYSGWJOUCXNLH-KRWDZBQOSA-N 2 2 339.483 3.448 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274891030 275248283 /nfs/dbraw/zinc/24/82/83/275248283.db2.gz JIEJMAVLIMETTN-ZIFCJYIRSA-N 2 2 349.482 3.291 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274891030 275248285 /nfs/dbraw/zinc/24/82/85/275248285.db2.gz JIEJMAVLIMETTN-ZIFCJYIRSA-N 2 2 349.482 3.291 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000278636661 275261415 /nfs/dbraw/zinc/26/14/15/275261415.db2.gz OQUAHAQNEPYINO-UHFFFAOYSA-N 2 2 346.452 3.282 20 0 EGADLP CCCCc1noc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000278656737 275262800 /nfs/dbraw/zinc/26/28/00/275262800.db2.gz QFDIKAHUDKNWKZ-UHFFFAOYSA-N 2 2 330.432 3.159 20 0 EGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000278739072 275270446 /nfs/dbraw/zinc/27/04/46/275270446.db2.gz WINOFSLEJCVPKT-IBGZPJMESA-N 2 2 340.467 3.227 20 0 EGADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@H](c3c[nH+]cn3C)C1)CCC2 ZINC000278888371 275284752 /nfs/dbraw/zinc/28/47/52/275284752.db2.gz DKDQOGKZHIRICT-ZENOOKHLSA-N 2 2 346.500 3.326 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)CCO1 ZINC000279109835 275304597 /nfs/dbraw/zinc/30/45/97/275304597.db2.gz KEBSUBRWFKRFNN-JSGCOSHPSA-N 2 2 334.489 3.184 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)C1 ZINC000279293500 275319921 /nfs/dbraw/zinc/31/99/21/275319921.db2.gz YXHQXRINNPWZMU-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc2)C1 ZINC000279293500 275319922 /nfs/dbraw/zinc/31/99/22/275319922.db2.gz YXHQXRINNPWZMU-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP Fc1ccc(-n2nccc2C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000279674334 275348801 /nfs/dbraw/zinc/34/88/01/275348801.db2.gz PEBCPFWSXXDURD-UHFFFAOYSA-N 2 2 325.391 3.045 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000279806039 275361302 /nfs/dbraw/zinc/36/13/02/275361302.db2.gz WYLTYKUSDJQCTG-PMACEKPBSA-N 2 2 335.451 3.346 20 0 EGADLP O[C@@H](Cc1ccc2ccccc2c1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000279806039 275361303 /nfs/dbraw/zinc/36/13/03/275361303.db2.gz WYLTYKUSDJQCTG-PMACEKPBSA-N 2 2 335.451 3.346 20 0 EGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCSC3)c[nH+]c12 ZINC000279865639 275367498 /nfs/dbraw/zinc/36/74/98/275367498.db2.gz FDSMTRGXLDNCOG-LLVKDONJSA-N 2 2 340.290 3.248 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC=CCC2)c(Cl)c1 ZINC000279866773 275367672 /nfs/dbraw/zinc/36/76/72/275367672.db2.gz SXUVCVLQHZEHOH-OAHLLOKOSA-N 2 2 335.879 3.217 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000279866773 275367673 /nfs/dbraw/zinc/36/76/73/275367673.db2.gz SXUVCVLQHZEHOH-OAHLLOKOSA-N 2 2 335.879 3.217 20 0 EGADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1C ZINC000280057145 275398701 /nfs/dbraw/zinc/39/87/01/275398701.db2.gz WNISONUWOSGFMD-UKPHBRMFSA-N 2 2 345.418 3.079 20 0 EGADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000285457190 275878077 /nfs/dbraw/zinc/87/80/77/275878077.db2.gz MUMOHWNOWNDKHV-AWEZNQCLSA-N 2 2 347.894 3.051 20 0 EGADLP COc1ccncc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286935492 276060067 /nfs/dbraw/zinc/06/00/67/276060067.db2.gz NNLCUZLVGBFUDI-HNNXBMFYSA-N 2 2 326.444 3.003 20 0 EGADLP COc1ccncc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000286935492 276060070 /nfs/dbraw/zinc/06/00/70/276060070.db2.gz NNLCUZLVGBFUDI-HNNXBMFYSA-N 2 2 326.444 3.003 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000287384004 276114408 /nfs/dbraw/zinc/11/44/08/276114408.db2.gz CITLVHQIEPQKDS-GOSISDBHSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000287384004 276114411 /nfs/dbraw/zinc/11/44/11/276114411.db2.gz CITLVHQIEPQKDS-GOSISDBHSA-N 2 2 338.455 3.485 20 0 EGADLP Cc1cccc(C[NH+]2CCN(C(=O)Nc3c(C)cc[nH+]c3C)CC2)c1 ZINC000287543550 276131082 /nfs/dbraw/zinc/13/10/82/276131082.db2.gz OKXFLPVGZIAMPK-UHFFFAOYSA-N 2 2 338.455 3.357 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000287553204 276132271 /nfs/dbraw/zinc/13/22/71/276132271.db2.gz PBHOWEIJHJWIMD-OAHLLOKOSA-N 2 2 326.444 3.340 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000287553204 276132273 /nfs/dbraw/zinc/13/22/73/276132273.db2.gz PBHOWEIJHJWIMD-OAHLLOKOSA-N 2 2 326.444 3.340 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000287735510 276152070 /nfs/dbraw/zinc/15/20/70/276152070.db2.gz PJBSSRRKQFPNFQ-ZACQAIPSSA-N 2 2 342.405 3.351 20 0 EGADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000287735510 276152073 /nfs/dbraw/zinc/15/20/73/276152073.db2.gz PJBSSRRKQFPNFQ-ZACQAIPSSA-N 2 2 342.405 3.351 20 0 EGADLP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000287810314 276159550 /nfs/dbraw/zinc/15/95/50/276159550.db2.gz PBCSSPPEKLTNDM-AEFFLSMTSA-N 2 2 345.874 3.072 20 0 EGADLP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000287810314 276159552 /nfs/dbraw/zinc/15/95/52/276159552.db2.gz PBCSSPPEKLTNDM-AEFFLSMTSA-N 2 2 345.874 3.072 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287847350 276163252 /nfs/dbraw/zinc/16/32/52/276163252.db2.gz WOYAYDJZZSCECR-OAHLLOKOSA-N 2 2 346.438 3.276 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289130076 276294532 /nfs/dbraw/zinc/29/45/32/276294532.db2.gz OLYDGKIIHQTSSF-INIZCTEOSA-N 2 2 346.496 3.419 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000289130076 276294533 /nfs/dbraw/zinc/29/45/33/276294533.db2.gz OLYDGKIIHQTSSF-INIZCTEOSA-N 2 2 346.496 3.419 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCOCC1 ZINC000289297868 276318064 /nfs/dbraw/zinc/31/80/64/276318064.db2.gz RTIQYPZJCBXWAW-DNVCBOLYSA-N 2 2 327.472 3.103 20 0 EGADLP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000289578203 276360556 /nfs/dbraw/zinc/36/05/56/276360556.db2.gz HTJWEQBZQQTLPX-ROUUACIJSA-N 2 2 328.460 3.049 20 0 EGADLP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1OC ZINC000289771692 276391638 /nfs/dbraw/zinc/39/16/38/276391638.db2.gz RIHSKVWKZTVWGC-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1OC ZINC000289771692 276391639 /nfs/dbraw/zinc/39/16/39/276391639.db2.gz RIHSKVWKZTVWGC-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1OC ZINC000289771692 276391640 /nfs/dbraw/zinc/39/16/40/276391640.db2.gz RIHSKVWKZTVWGC-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1OC ZINC000289771692 276391641 /nfs/dbraw/zinc/39/16/41/276391641.db2.gz RIHSKVWKZTVWGC-YIONKMFJSA-N 2 2 338.879 3.414 20 0 EGADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(Br)nc1 ZINC000289777323 276392409 /nfs/dbraw/zinc/39/24/09/276392409.db2.gz NTZCCZXQFOJLKK-LBPRGKRZSA-N 2 2 345.244 3.385 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC000291059447 276582580 /nfs/dbraw/zinc/58/25/80/276582580.db2.gz PASGOYBLEVHBJH-JCNLHEQBSA-N 2 2 348.462 3.079 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000292015360 276721185 /nfs/dbraw/zinc/72/11/85/276721185.db2.gz DSQVORQUKZYMOZ-CRAIPNDOSA-N 2 2 349.906 3.077 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000071911930 278060362 /nfs/dbraw/zinc/06/03/62/278060362.db2.gz FCQHFMSZZBIJBQ-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000071911930 278060363 /nfs/dbraw/zinc/06/03/63/278060363.db2.gz FCQHFMSZZBIJBQ-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000071911930 278060364 /nfs/dbraw/zinc/06/03/64/278060364.db2.gz FCQHFMSZZBIJBQ-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000071911930 278060366 /nfs/dbraw/zinc/06/03/66/278060366.db2.gz FCQHFMSZZBIJBQ-DLBZAZTESA-N 2 2 331.504 3.411 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000121633987 279028091 /nfs/dbraw/zinc/02/80/91/279028091.db2.gz ZBVXSJFOHTWWCG-OAHLLOKOSA-N 2 2 344.484 3.485 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000121633987 279028092 /nfs/dbraw/zinc/02/80/92/279028092.db2.gz ZBVXSJFOHTWWCG-OAHLLOKOSA-N 2 2 344.484 3.485 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000151876309 279303348 /nfs/dbraw/zinc/30/33/48/279303348.db2.gz OPWWWVRHVVMLSF-ZGGTZUKQSA-N 2 2 341.499 3.283 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)C[C@@H](C)O1 ZINC000119883485 288163421 /nfs/dbraw/zinc/16/34/21/288163421.db2.gz BLLZOSCBEWYBSW-IIDMSEBBSA-N 2 2 336.451 3.128 20 0 EGADLP Cn1c[nH+]cc1[C@@H]1[C@H]([NH2+]C2CCC(C)(C)CC2)CCC(=O)N1C1CC1 ZINC000344879917 303030372 /nfs/dbraw/zinc/03/03/72/303030372.db2.gz UDCTXQJEOWZYBI-APWZRJJASA-N 2 2 344.503 3.173 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCc3ccccc3)c2cc1C ZINC000051404586 307330670 /nfs/dbraw/zinc/33/06/70/307330670.db2.gz IIHPOPGPKKMEJL-LJQANCHMSA-N 2 2 337.467 3.189 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCc3ccccc3)c2cc1C ZINC000051404586 307330672 /nfs/dbraw/zinc/33/06/72/307330672.db2.gz IIHPOPGPKKMEJL-LJQANCHMSA-N 2 2 337.467 3.189 20 0 EGADLP C[C@@H](CCn1cccn1)[NH2+]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000159269364 533696873 /nfs/dbraw/zinc/69/68/73/533696873.db2.gz CRNGNZOQHIDYLI-KRWDZBQOSA-N 2 2 341.503 3.304 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1C(F)(F)F ZINC000158935461 307865891 /nfs/dbraw/zinc/86/58/91/307865891.db2.gz UZSWUXWKJYJOQI-GJZGRUSLSA-N 2 2 344.421 3.449 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000414287487 309070707 /nfs/dbraw/zinc/07/07/07/309070707.db2.gz KLZXBKYZFAOWIZ-LKUPVBHCSA-N 2 2 342.458 3.154 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000414287487 309070708 /nfs/dbraw/zinc/07/07/08/309070708.db2.gz KLZXBKYZFAOWIZ-LKUPVBHCSA-N 2 2 342.458 3.154 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000414306323 309071808 /nfs/dbraw/zinc/07/18/08/309071808.db2.gz ZJCRSNFVLLIOJH-UHFFFAOYSA-N 2 2 342.462 3.284 20 0 EGADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)nn1C ZINC000414338586 309073901 /nfs/dbraw/zinc/07/39/01/309073901.db2.gz YIWHEACOSIZVLR-UHFFFAOYSA-N 2 2 326.488 3.250 20 0 EGADLP Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414361682 309075127 /nfs/dbraw/zinc/07/51/27/309075127.db2.gz ICYRZWPQCPGJTP-PKOBYXMFSA-N 2 2 342.487 3.052 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000249192123 308020898 /nfs/dbraw/zinc/02/08/98/308020898.db2.gz OMTAKDFZYHNLFL-ZIFCJYIRSA-N 2 2 326.488 3.457 20 0 EGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000249192123 308020900 /nfs/dbraw/zinc/02/09/00/308020900.db2.gz OMTAKDFZYHNLFL-ZIFCJYIRSA-N 2 2 326.488 3.457 20 0 EGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000263635699 308065359 /nfs/dbraw/zinc/06/53/59/308065359.db2.gz BKHOXHGRRIEMBZ-IFEVLTCRSA-N 2 2 345.506 3.329 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414394920 309077587 /nfs/dbraw/zinc/07/75/87/309077587.db2.gz JCPRCGYOTNHKNW-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414394920 309077588 /nfs/dbraw/zinc/07/75/88/309077588.db2.gz JCPRCGYOTNHKNW-QGZVFWFLSA-N 2 2 344.478 3.484 20 0 EGADLP Cc1nccnc1CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000293042118 308092930 /nfs/dbraw/zinc/09/29/30/308092930.db2.gz QWLWSMAQLCYCRF-UHFFFAOYSA-N 2 2 344.890 3.235 20 0 EGADLP Cc1noc(C2CCC([NH2+]CCn3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000293368426 308124636 /nfs/dbraw/zinc/12/46/36/308124636.db2.gz KUZBNCCBJPUUNW-UHFFFAOYSA-N 2 2 339.443 3.352 20 0 EGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550225 308140937 /nfs/dbraw/zinc/14/09/37/308140937.db2.gz DYIJCFJPGIPWCP-KRWDZBQOSA-N 2 2 328.378 3.345 20 0 EGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550225 308140938 /nfs/dbraw/zinc/14/09/38/308140938.db2.gz DYIJCFJPGIPWCP-KRWDZBQOSA-N 2 2 328.378 3.345 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550225 308140939 /nfs/dbraw/zinc/14/09/39/308140939.db2.gz DYIJCFJPGIPWCP-KRWDZBQOSA-N 2 2 328.378 3.345 20 0 EGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000293550225 308140940 /nfs/dbraw/zinc/14/09/40/308140940.db2.gz DYIJCFJPGIPWCP-KRWDZBQOSA-N 2 2 328.378 3.345 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746319 308157960 /nfs/dbraw/zinc/15/79/60/308157960.db2.gz PUCOXPVIFMIUAK-FMKPAKJESA-N 2 2 328.435 3.287 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(-n2cccn2)c(F)c1 ZINC000293746319 308157962 /nfs/dbraw/zinc/15/79/62/308157962.db2.gz PUCOXPVIFMIUAK-FMKPAKJESA-N 2 2 328.435 3.287 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)c1C ZINC000293804469 308163456 /nfs/dbraw/zinc/16/34/56/308163456.db2.gz DNGNYQDMNJMCQF-AEFFLSMTSA-N 2 2 347.484 3.257 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC(C)(C)OCC3CC3)sc2C1 ZINC000414498452 309084690 /nfs/dbraw/zinc/08/46/90/309084690.db2.gz AMXQIGUVHAQDSF-UHFFFAOYSA-N 2 2 337.533 3.204 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC(C)(C)OCC3CC3)sc2C1 ZINC000414498452 309084691 /nfs/dbraw/zinc/08/46/91/309084691.db2.gz AMXQIGUVHAQDSF-UHFFFAOYSA-N 2 2 337.533 3.204 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911680 308173316 /nfs/dbraw/zinc/17/33/16/308173316.db2.gz WXRSEDJUQDNQFI-QAPCUYQASA-N 2 2 331.460 3.168 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293911680 308173318 /nfs/dbraw/zinc/17/33/18/308173318.db2.gz WXRSEDJUQDNQFI-QAPCUYQASA-N 2 2 331.460 3.168 20 0 EGADLP FC(F)Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000294691760 308246218 /nfs/dbraw/zinc/24/62/18/308246218.db2.gz NPPGHYKDIYUSOS-UHFFFAOYSA-N 2 2 349.429 3.061 20 0 EGADLP CO[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Cc1ccccc1 ZINC000294848108 308263775 /nfs/dbraw/zinc/26/37/75/308263775.db2.gz RVCODHJCLDIMQM-QGZVFWFLSA-N 2 2 344.421 3.251 20 0 EGADLP CC(C)C[C@H]([NH3+])c1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000414624291 309092276 /nfs/dbraw/zinc/09/22/76/309092276.db2.gz UZWQMMOXFNXWRF-LBPRGKRZSA-N 2 2 348.357 3.301 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000414650261 309093520 /nfs/dbraw/zinc/09/35/20/309093520.db2.gz CWSIEDBSUNIYSA-OAHLLOKOSA-N 2 2 328.412 3.029 20 0 EGADLP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000414650261 309093521 /nfs/dbraw/zinc/09/35/21/309093521.db2.gz CWSIEDBSUNIYSA-OAHLLOKOSA-N 2 2 328.412 3.029 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000296070540 308390458 /nfs/dbraw/zinc/39/04/58/308390458.db2.gz PVWUFSQXZJATBL-RHSMWYFYSA-N 3 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)[C@H](C)C1 ZINC000296070540 308390460 /nfs/dbraw/zinc/39/04/60/308390460.db2.gz PVWUFSQXZJATBL-RHSMWYFYSA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000296070540 308390461 /nfs/dbraw/zinc/39/04/61/308390461.db2.gz PVWUFSQXZJATBL-RHSMWYFYSA-N 2 2 332.879 3.346 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000296070540 308390463 /nfs/dbraw/zinc/39/04/63/308390463.db2.gz PVWUFSQXZJATBL-RHSMWYFYSA-N 2 2 332.879 3.346 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000414659527 309094175 /nfs/dbraw/zinc/09/41/75/309094175.db2.gz NGOVRKAYOPOCDR-GOSISDBHSA-N 2 2 326.488 3.152 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000414659527 309094176 /nfs/dbraw/zinc/09/41/76/309094176.db2.gz NGOVRKAYOPOCDR-GOSISDBHSA-N 2 2 326.488 3.152 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000414666936 309094472 /nfs/dbraw/zinc/09/44/72/309094472.db2.gz XCTJRSYRWKFHBT-DNVCBOLYSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000414666936 309094473 /nfs/dbraw/zinc/09/44/73/309094473.db2.gz XCTJRSYRWKFHBT-DNVCBOLYSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000414666937 309094577 /nfs/dbraw/zinc/09/45/77/309094577.db2.gz XCTJRSYRWKFHBT-HNAYVOBHSA-N 2 2 325.456 3.316 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000414666937 309094578 /nfs/dbraw/zinc/09/45/78/309094578.db2.gz XCTJRSYRWKFHBT-HNAYVOBHSA-N 2 2 325.456 3.316 20 0 EGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000414736873 309098185 /nfs/dbraw/zinc/09/81/85/309098185.db2.gz DHFLGAORKMXQKL-UHFFFAOYSA-N 2 2 327.476 3.039 20 0 EGADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OCc1cccs1 ZINC000414822328 309103714 /nfs/dbraw/zinc/10/37/14/309103714.db2.gz DUGROJCOQNNBQN-OAHLLOKOSA-N 2 2 332.469 3.177 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000299470770 308676042 /nfs/dbraw/zinc/67/60/42/308676042.db2.gz VMTICMCXHFACKH-QGZVFWFLSA-N 2 2 342.487 3.172 20 0 EGADLP Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc[nH+]1 ZINC000301263603 308693990 /nfs/dbraw/zinc/69/39/90/308693990.db2.gz HOXJLQBXOJXXSE-MRXNPFEDSA-N 2 2 326.444 3.097 20 0 EGADLP FC(F)(F)c1cc[nH+]c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000301546088 308704634 /nfs/dbraw/zinc/70/46/34/308704634.db2.gz WVPJOIXOUHIVMB-LBPRGKRZSA-N 2 2 329.366 3.013 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844296 309105213 /nfs/dbraw/zinc/10/52/13/309105213.db2.gz KQWOFYCIKLMPLQ-GOSISDBHSA-N 2 2 326.488 3.071 20 0 EGADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000331962659 308822285 /nfs/dbraw/zinc/82/22/85/308822285.db2.gz VBWBTLQCMOEGPF-OAHLLOKOSA-N 2 2 326.444 3.233 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334443 310054480 /nfs/dbraw/zinc/05/44/80/310054480.db2.gz XJRGUTOXHXJMFY-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334443 310054481 /nfs/dbraw/zinc/05/44/81/310054481.db2.gz XJRGUTOXHXJMFY-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000449334443 310054482 /nfs/dbraw/zinc/05/44/82/310054482.db2.gz XJRGUTOXHXJMFY-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP Cc1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)c[nH+]c1N1CCCC[C@@H]1C ZINC000334029564 308874306 /nfs/dbraw/zinc/87/43/06/308874306.db2.gz CGQHIBXWMQYLHD-HOTGVXAUSA-N 2 2 347.507 3.231 20 0 EGADLP c1csc([C@H](CNc2cc(NC3CC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000413029270 309012500 /nfs/dbraw/zinc/01/25/00/309012500.db2.gz RYYCXLRMNSZVOL-AWEZNQCLSA-N 2 2 329.473 3.361 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414870078 309106437 /nfs/dbraw/zinc/10/64/37/309106437.db2.gz RZDXQXQKKPRMFE-MRXNPFEDSA-N 2 2 332.879 3.043 20 0 EGADLP CCC[NH2+]CC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414872798 309106559 /nfs/dbraw/zinc/10/65/59/309106559.db2.gz QGVGUBJFEDMHQP-UHFFFAOYSA-N 2 2 334.895 3.291 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCCc2ccc(C)nc2)cc1 ZINC000414881140 309106944 /nfs/dbraw/zinc/10/69/44/309106944.db2.gz KREYOSKPVDHEKJ-SFTDATJTSA-N 2 2 339.483 3.067 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000414881140 309106945 /nfs/dbraw/zinc/10/69/45/309106945.db2.gz KREYOSKPVDHEKJ-SFTDATJTSA-N 3 2 339.483 3.067 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@H]2CC[NH2+]C2)c(-c2ccccc2Cl)n1 ZINC000414889076 309107414 /nfs/dbraw/zinc/10/74/14/309107414.db2.gz SOKULUDLNQFKTL-AWEZNQCLSA-N 2 2 332.879 3.410 20 0 EGADLP Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000414935023 309110013 /nfs/dbraw/zinc/11/00/13/309110013.db2.gz UCFASDQQUMNBAW-OAQYLSRUSA-N 2 2 336.483 3.295 20 0 EGADLP CC(C)(C)n1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000414953826 309111060 /nfs/dbraw/zinc/11/10/60/309111060.db2.gz RZUIHBFNYWNRNZ-MAUKXSAKSA-N 2 2 348.441 3.152 20 0 EGADLP Clc1ccccc1C[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000415015068 309114392 /nfs/dbraw/zinc/11/43/92/309114392.db2.gz XZMCSBHIFSERIY-AZUAARDMSA-N 3 2 347.934 3.282 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])CNCc1[nH+]ccn1Cc1ccccc1 ZINC000415063288 309117713 /nfs/dbraw/zinc/11/77/13/309117713.db2.gz HPYVXLCOLNMLRS-FQEVSTJZSA-N 2 2 334.467 3.283 20 0 EGADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000415065810 309118014 /nfs/dbraw/zinc/11/80/14/309118014.db2.gz NNOZKANSAKADCH-SFHVURJKSA-N 2 2 328.456 3.364 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000415072364 309118328 /nfs/dbraw/zinc/11/83/28/309118328.db2.gz XYEVJAUKTGBMSG-GOSISDBHSA-N 2 2 344.455 3.064 20 0 EGADLP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000415081181 309119037 /nfs/dbraw/zinc/11/90/37/309119037.db2.gz KISROGLRRIEAAB-VQIMIIECSA-N 2 2 334.504 3.290 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415085196 309119417 /nfs/dbraw/zinc/11/94/17/309119417.db2.gz QMJVNINRPUGSDN-UMSONDCASA-N 3 2 342.531 3.117 20 0 EGADLP C[C@H](C[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)c(C[NH+]2CCOCC2)c1 ZINC000415114301 309121269 /nfs/dbraw/zinc/12/12/69/309121269.db2.gz XIJGZZOKDPWDHK-ZBFHGGJFSA-N 2 2 337.895 3.115 20 0 EGADLP Cc1cccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1C ZINC000415124939 309122020 /nfs/dbraw/zinc/12/20/20/309122020.db2.gz DBWFFNRNWGDGGJ-UHFFFAOYSA-N 3 2 337.511 3.387 20 0 EGADLP C[C@@]1(C[NH3+])CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415162274 309124229 /nfs/dbraw/zinc/12/42/29/309124229.db2.gz ACKHKPTYFSGSTF-SFHVURJKSA-N 2 2 326.400 3.077 20 0 EGADLP Cc1cc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c[nH+]c1N1CCCC[C@H]1C ZINC000415439986 309133513 /nfs/dbraw/zinc/13/35/13/309133513.db2.gz DYXCLAFKEOVPRE-OWCLPIDISA-N 2 2 345.491 3.018 20 0 EGADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000415905436 309147367 /nfs/dbraw/zinc/14/73/67/309147367.db2.gz ILPBGVYNJRMSMT-CRAIPNDOSA-N 2 2 341.459 3.108 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415957961 309151185 /nfs/dbraw/zinc/15/11/85/309151185.db2.gz NDOCFMXAPAHDHZ-CQSZACIVSA-N 2 2 344.484 3.118 20 0 EGADLP C[NH+](C)C1(CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC1 ZINC000416302310 309167959 /nfs/dbraw/zinc/16/79/59/309167959.db2.gz OALORJPJCNVLRI-UHFFFAOYSA-N 2 2 345.830 3.351 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417790188 309222314 /nfs/dbraw/zinc/22/23/14/309222314.db2.gz IADYVLBREGYFCX-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417790188 309222315 /nfs/dbraw/zinc/22/23/15/309222315.db2.gz IADYVLBREGYFCX-PKOBYXMFSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417790185 309222393 /nfs/dbraw/zinc/22/23/93/309222393.db2.gz IADYVLBREGYFCX-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP CCn1c[nH+]cc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417790185 309222394 /nfs/dbraw/zinc/22/23/94/309222394.db2.gz IADYVLBREGYFCX-MJGOQNOKSA-N 2 2 326.488 3.388 20 0 EGADLP COC1(C(F)(F)F)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000418098830 309235448 /nfs/dbraw/zinc/23/54/48/309235448.db2.gz YLQPSZZWPWGMSS-UHFFFAOYSA-N 2 2 339.361 3.416 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000419296994 309263561 /nfs/dbraw/zinc/26/35/61/309263561.db2.gz SWXZGVKBIAUTNV-MRXNPFEDSA-N 2 2 329.488 3.237 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)n1C ZINC000419734543 309271431 /nfs/dbraw/zinc/27/14/31/309271431.db2.gz VCFFWEBQXXMYMO-UHFFFAOYSA-N 2 2 336.842 3.314 20 0 EGADLP Brc1ccc2c(cc[nH+]c2N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000420259887 309278405 /nfs/dbraw/zinc/27/84/05/309278405.db2.gz MWIBOHAOMVVPKJ-CHWSQXEVSA-N 2 2 332.245 3.043 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000420312751 309281303 /nfs/dbraw/zinc/28/13/03/309281303.db2.gz XDKACWKXUXLFJU-LSBZLQRGSA-N 2 2 346.496 3.261 20 0 EGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1 ZINC000420312751 309281304 /nfs/dbraw/zinc/28/13/04/309281304.db2.gz XDKACWKXUXLFJU-LSBZLQRGSA-N 2 2 346.496 3.261 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316255 309281424 /nfs/dbraw/zinc/28/14/24/309281424.db2.gz NANPLKBRSOJOHU-MAUKXSAKSA-N 2 2 342.874 3.289 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420316255 309281425 /nfs/dbraw/zinc/28/14/25/309281425.db2.gz NANPLKBRSOJOHU-MAUKXSAKSA-N 2 2 342.874 3.289 20 0 EGADLP CCC[N@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CC[NH2+]CC1 ZINC000420324299 309282433 /nfs/dbraw/zinc/28/24/33/309282433.db2.gz VDWOJPBBQADOME-UHFFFAOYSA-N 2 2 332.879 3.490 20 0 EGADLP CCC[N@@H+](Cc1ccn(-c2ccc(Cl)cc2)n1)C1CC[NH2+]CC1 ZINC000420324299 309282434 /nfs/dbraw/zinc/28/24/34/309282434.db2.gz VDWOJPBBQADOME-UHFFFAOYSA-N 2 2 332.879 3.490 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000420365214 309284440 /nfs/dbraw/zinc/28/44/40/309284440.db2.gz KZCRSUADSNRPQF-XHBSWPGZSA-N 2 2 348.288 3.473 20 0 EGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000420366346 309284444 /nfs/dbraw/zinc/28/44/44/309284444.db2.gz MDGAEVTVALOERV-GQIGUUNPSA-N 2 2 325.456 3.137 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420375639 309285091 /nfs/dbraw/zinc/28/50/91/309285091.db2.gz JFCIIMOBURAWJR-BHYGNILZSA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420375639 309285092 /nfs/dbraw/zinc/28/50/92/309285092.db2.gz JFCIIMOBURAWJR-BHYGNILZSA-N 2 2 331.504 3.362 20 0 EGADLP COc1cccc(CCC[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000420385957 309285753 /nfs/dbraw/zinc/28/57/53/309285753.db2.gz HSPFJZVYYHZKDX-AZUAARDMSA-N 2 2 328.431 3.194 20 0 EGADLP COc1cccc(CCC[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000420385957 309285754 /nfs/dbraw/zinc/28/57/54/309285754.db2.gz HSPFJZVYYHZKDX-AZUAARDMSA-N 2 2 328.431 3.194 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000420403225 309286638 /nfs/dbraw/zinc/28/66/38/309286638.db2.gz KWHVKAHPRKOPAS-OSAQELSMSA-N 2 2 332.423 3.162 20 0 EGADLP Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000420403225 309286639 /nfs/dbraw/zinc/28/66/39/309286639.db2.gz KWHVKAHPRKOPAS-OSAQELSMSA-N 2 2 332.423 3.162 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416900 309287073 /nfs/dbraw/zinc/28/70/73/309287073.db2.gz WAGVTKBTEIHGAF-VNHYZAJKSA-N 2 2 348.878 3.292 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416900 309287074 /nfs/dbraw/zinc/28/70/74/309287074.db2.gz WAGVTKBTEIHGAF-VNHYZAJKSA-N 2 2 348.878 3.292 20 0 EGADLP Cc1cc(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc(C)[nH+]1 ZINC000420841656 309297621 /nfs/dbraw/zinc/29/76/21/309297621.db2.gz CKWIVCXARBEKET-UHFFFAOYSA-N 2 2 344.503 3.104 20 0 EGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1(O)CCCCCC1 ZINC000420920895 309301274 /nfs/dbraw/zinc/30/12/74/309301274.db2.gz KNTYVXLODAIDHG-UHFFFAOYSA-N 2 2 346.515 3.036 20 0 EGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1(O)CCCCCC1 ZINC000420920895 309301275 /nfs/dbraw/zinc/30/12/75/309301275.db2.gz KNTYVXLODAIDHG-UHFFFAOYSA-N 2 2 346.515 3.036 20 0 EGADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cc(F)cc(F)c1 ZINC000420924776 309301480 /nfs/dbraw/zinc/30/14/80/309301480.db2.gz UMGIZDWHEWPQRY-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cc(F)cc(F)c1 ZINC000420924776 309301481 /nfs/dbraw/zinc/30/14/81/309301481.db2.gz UMGIZDWHEWPQRY-UHFFFAOYSA-N 2 2 346.421 3.429 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420929899 309301829 /nfs/dbraw/zinc/30/18/29/309301829.db2.gz DKXQRZMWVQHCLJ-FQEVSTJZSA-N 2 2 325.456 3.184 20 0 EGADLP c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420929899 309301830 /nfs/dbraw/zinc/30/18/30/309301830.db2.gz DKXQRZMWVQHCLJ-FQEVSTJZSA-N 2 2 325.456 3.184 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nccs1 ZINC000420933321 309302163 /nfs/dbraw/zinc/30/21/63/309302163.db2.gz HWZPQWCZCCDJFS-KRWDZBQOSA-N 2 2 331.485 3.216 20 0 EGADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCc4cccnc4CC3)c2)c[nH+]1 ZINC000421822997 309341626 /nfs/dbraw/zinc/34/16/26/309341626.db2.gz YHTYGWDXFDAAGO-HXUWFJFHSA-N 2 2 332.451 3.364 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)CC(C)C)CC2)CC1 ZINC000422013392 309350927 /nfs/dbraw/zinc/35/09/27/309350927.db2.gz FIZNZTLGJIHQTJ-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)CC(C)C)CC2)CC1 ZINC000422013392 309350928 /nfs/dbraw/zinc/35/09/28/309350928.db2.gz FIZNZTLGJIHQTJ-SFHVURJKSA-N 2 2 337.552 3.077 20 0 EGADLP CC[C@H]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028482 309351878 /nfs/dbraw/zinc/35/18/78/309351878.db2.gz XYBXTKKGCGVKLJ-ICSRJNTNSA-N 2 2 349.563 3.221 20 0 EGADLP CC[C@H]1CCCC[C@@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422028482 309351879 /nfs/dbraw/zinc/35/18/79/309351879.db2.gz XYBXTKKGCGVKLJ-ICSRJNTNSA-N 2 2 349.563 3.221 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422219126 309358288 /nfs/dbraw/zinc/35/82/88/309358288.db2.gz YVQHPZHBQXUJIM-UHFFFAOYSA-N 2 2 346.519 3.496 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000422641357 309363089 /nfs/dbraw/zinc/36/30/89/309363089.db2.gz XUZXRKXUELXJBR-BZUAXINKSA-N 2 2 331.504 3.228 20 0 EGADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000422641357 309363090 /nfs/dbraw/zinc/36/30/90/309363090.db2.gz XUZXRKXUELXJBR-BZUAXINKSA-N 2 2 331.504 3.228 20 0 EGADLP CC(C)Oc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422723951 309365014 /nfs/dbraw/zinc/36/50/14/309365014.db2.gz TUHQUYCYHZSFOK-AOIWGVFYSA-N 2 2 334.504 3.152 20 0 EGADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000422824189 309370279 /nfs/dbraw/zinc/37/02/79/309370279.db2.gz GKQYGJFVVBHUEX-GXTWGEPZSA-N 2 2 346.393 3.257 20 0 EGADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000422831464 309370984 /nfs/dbraw/zinc/37/09/84/309370984.db2.gz TUGGGPZGWLWHQZ-JXFKEZNVSA-N 2 2 334.467 3.172 20 0 EGADLP CO[C@H](C)c1nc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cs1 ZINC000422845242 309371731 /nfs/dbraw/zinc/37/17/31/309371731.db2.gz BHHPAZUYDXVVQN-FRFSOERESA-N 2 2 331.485 3.433 20 0 EGADLP CC[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2)nc1C)[C@@H]1CCCC[NH2+]1 ZINC000422853581 309372034 /nfs/dbraw/zinc/37/20/34/309372034.db2.gz ZGODUYNORTULMZ-MOPGFXCFSA-N 2 2 330.451 3.330 20 0 EGADLP C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422858273 309372325 /nfs/dbraw/zinc/37/23/25/309372325.db2.gz IGLHEEPAYOZKBE-JMSVASOKSA-N 2 2 331.287 3.281 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422862201 309372591 /nfs/dbraw/zinc/37/25/91/309372591.db2.gz KCTZIYZAXGQQKP-PXNSSMCTSA-N 2 2 342.483 3.068 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000422868074 309372919 /nfs/dbraw/zinc/37/29/19/309372919.db2.gz UHGVETOLDBFFLA-SJLPKXTDSA-N 2 2 326.440 3.336 20 0 EGADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(OC[C@@H]2CCCO2)c1 ZINC000422877126 309373499 /nfs/dbraw/zinc/37/34/99/309373499.db2.gz RBFCTTRTIPXARL-WDSOQIARSA-N 2 2 332.488 3.173 20 0 EGADLP C[C@H](NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887468 309374300 /nfs/dbraw/zinc/37/43/00/309374300.db2.gz YTVFZFAWTNXVLH-KXBFYZLASA-N 2 2 341.524 3.045 20 0 EGADLP C[C@H](NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1C[NH2+]C1 ZINC000422887468 309374301 /nfs/dbraw/zinc/37/43/01/309374301.db2.gz YTVFZFAWTNXVLH-KXBFYZLASA-N 2 2 341.524 3.045 20 0 EGADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422890290 309374429 /nfs/dbraw/zinc/37/44/29/309374429.db2.gz IBHWDUJHXHEUQP-HKUYNNGSSA-N 3 2 333.520 3.027 20 0 EGADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422896609 309374847 /nfs/dbraw/zinc/37/48/47/309374847.db2.gz YFKOXRMCCXDJAA-VHKYSDTDSA-N 2 2 337.467 3.449 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)c1c(F)cccc1Cl ZINC000422923026 309376272 /nfs/dbraw/zinc/37/62/72/309376272.db2.gz UYOJABPJTIESAR-CHWSQXEVSA-N 2 2 328.859 3.113 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)s1 ZINC000422984674 309379460 /nfs/dbraw/zinc/37/94/60/309379460.db2.gz BFQSPWOBDYUXQI-GRYCIOLGSA-N 2 2 335.300 3.302 20 0 EGADLP C[C@H]([NH2+][C@H]1CSc2ccc(Br)cc21)[C@@H]1CCC[NH2+]1 ZINC000423083077 309385043 /nfs/dbraw/zinc/38/50/43/309385043.db2.gz GDJWXWSLTVYSSP-XDTLVQLUSA-N 2 2 327.291 3.326 20 0 EGADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423086104 309385212 /nfs/dbraw/zinc/38/52/12/309385212.db2.gz MJWOEZOEIHQKJQ-BEFAXECRSA-N 2 2 326.488 3.085 20 0 EGADLP Fc1cccc2c1SCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232110 309391654 /nfs/dbraw/zinc/39/16/54/309391654.db2.gz MJWCSCRVWLPCPM-MRXNPFEDSA-N 2 2 344.459 3.279 20 0 EGADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Br)cc1C(F)(F)F ZINC000423243306 309391931 /nfs/dbraw/zinc/39/19/31/309391931.db2.gz KBMWMLOAYTWXLU-MRVPVSSYSA-N 2 2 325.172 3.338 20 0 EGADLP Fc1cc(Br)ccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C1CC1 ZINC000423239931 309392093 /nfs/dbraw/zinc/39/20/93/309392093.db2.gz SWWGGXNEJAQJBP-DOMZBBRYSA-N 2 2 327.241 3.381 20 0 EGADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1I ZINC000423257700 309392714 /nfs/dbraw/zinc/39/27/14/309392714.db2.gz ACSUJIMJXRSQDW-NWDGAFQWSA-N 2 2 346.256 3.315 20 0 EGADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC[NH2+]C1CCCCCC1 ZINC000423283028 309393975 /nfs/dbraw/zinc/39/39/75/309393975.db2.gz VQWATPKWDULHPU-MRXNPFEDSA-N 2 2 348.487 3.201 20 0 EGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2cnccc2C)cc1 ZINC000423347191 309396448 /nfs/dbraw/zinc/39/64/48/309396448.db2.gz ZSXUJHQWDMTMBM-MOXGXCLJSA-N 2 2 325.456 3.195 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423384181 309397988 /nfs/dbraw/zinc/39/79/88/309397988.db2.gz JYIHJWCYIVGVRC-YSIASYRMSA-N 3 2 329.532 3.265 20 0 EGADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423384181 309397989 /nfs/dbraw/zinc/39/79/89/309397989.db2.gz JYIHJWCYIVGVRC-YSIASYRMSA-N 3 2 329.532 3.265 20 0 EGADLP CCOc1cccc2cc([C@H](C)[NH2+]C[C@]3(COC)CCC[NH2+]3)oc21 ZINC000423414675 309399236 /nfs/dbraw/zinc/39/92/36/309399236.db2.gz NKJUZLLVDKTJHZ-LIRRHRJNSA-N 2 2 332.444 3.251 20 0 EGADLP COC[C@@]1(C[NH2+][C@@H](c2ccccc2OC)C2CCCC2)CCC[NH2+]1 ZINC000423413264 309399252 /nfs/dbraw/zinc/39/92/52/309399252.db2.gz JZVOJNDOPGGZOL-UXHICEINSA-N 2 2 332.488 3.285 20 0 EGADLP COC[C@]1(C[NH2+][C@H](C)c2cc(C)c(Br)s2)CCC[NH2+]1 ZINC000423420427 309399618 /nfs/dbraw/zinc/39/96/18/309399618.db2.gz WZDRNCLQZNGIPU-BXUZGUMPSA-N 2 2 347.322 3.238 20 0 EGADLP COC[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CCCC1 ZINC000446938041 309971141 /nfs/dbraw/zinc/97/11/41/309971141.db2.gz GZLVFLHMNCZXEN-IBGZPJMESA-N 2 2 338.536 3.064 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)sc3Cl)C2)CC1 ZINC000449022329 310030026 /nfs/dbraw/zinc/03/00/26/310030026.db2.gz IAGFCJNFCOSMKR-CYBMUJFWSA-N 2 2 348.343 3.267 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)sc3Cl)C2)CC1 ZINC000449022329 310030027 /nfs/dbraw/zinc/03/00/27/310030027.db2.gz IAGFCJNFCOSMKR-CYBMUJFWSA-N 2 2 348.343 3.267 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027163 310030466 /nfs/dbraw/zinc/03/04/66/310030466.db2.gz HTVVFRUYYDEQML-VQIMIIECSA-N 2 2 342.487 3.186 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027163 310030467 /nfs/dbraw/zinc/03/04/67/310030467.db2.gz HTVVFRUYYDEQML-VQIMIIECSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027163 310030468 /nfs/dbraw/zinc/03/04/68/310030468.db2.gz HTVVFRUYYDEQML-VQIMIIECSA-N 2 2 342.487 3.186 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnn(-c3ccc(OC)cc3)c2)C[C@H]1C ZINC000449027163 310030469 /nfs/dbraw/zinc/03/04/69/310030469.db2.gz HTVVFRUYYDEQML-VQIMIIECSA-N 2 2 342.487 3.186 20 0 EGADLP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000449029450 310030740 /nfs/dbraw/zinc/03/07/40/310030740.db2.gz OVUVYUCKAZSJTJ-QGZVFWFLSA-N 2 2 340.467 3.003 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046914 310032909 /nfs/dbraw/zinc/03/29/09/310032909.db2.gz MLQJXYWHQFRRCU-QFBILLFUSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046914 310032910 /nfs/dbraw/zinc/03/29/10/310032910.db2.gz MLQJXYWHQFRRCU-QFBILLFUSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046914 310032911 /nfs/dbraw/zinc/03/29/11/310032911.db2.gz MLQJXYWHQFRRCU-QFBILLFUSA-N 2 2 342.462 3.142 20 0 EGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccc(F)cc2)n1 ZINC000449046914 310032912 /nfs/dbraw/zinc/03/29/12/310032912.db2.gz MLQJXYWHQFRRCU-QFBILLFUSA-N 2 2 342.462 3.142 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)CCOCC1)c1ccccc1 ZINC000449153106 310040743 /nfs/dbraw/zinc/04/07/43/310040743.db2.gz CDXIGDIWYBIRQG-NTDBWNAOSA-N 2 2 332.488 3.042 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc4ccoc43)[nH+]c2)C1 ZINC000449211227 310044802 /nfs/dbraw/zinc/04/48/02/310044802.db2.gz RSICREMGYMYELY-GOSISDBHSA-N 2 2 336.439 3.002 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449211257 310044912 /nfs/dbraw/zinc/04/49/12/310044912.db2.gz RTIRELMVMRVIEO-VQIMIIECSA-N 2 2 329.488 3.298 20 0 EGADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449325262 310053642 /nfs/dbraw/zinc/05/36/42/310053642.db2.gz LIIVCHVXABSVHJ-UHFFFAOYSA-N 2 2 330.476 3.045 20 0 EGADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449325262 310053643 /nfs/dbraw/zinc/05/36/43/310053643.db2.gz LIIVCHVXABSVHJ-UHFFFAOYSA-N 2 2 330.476 3.045 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(F)cc(Br)c1 ZINC000449334443 310054479 /nfs/dbraw/zinc/05/44/79/310054479.db2.gz XJRGUTOXHXJMFY-XHDPSFHLSA-N 2 2 329.257 3.360 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449388971 310058241 /nfs/dbraw/zinc/05/82/41/310058241.db2.gz QZUDMVKQQGTUIW-ZBFHGGJFSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449388971 310058242 /nfs/dbraw/zinc/05/82/42/310058242.db2.gz QZUDMVKQQGTUIW-ZBFHGGJFSA-N 2 2 344.421 3.073 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394858 310058382 /nfs/dbraw/zinc/05/83/82/310058382.db2.gz HFXSPPQNUOPDHN-ZQDZILKHSA-N 2 2 342.936 3.330 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000449394858 310058383 /nfs/dbraw/zinc/05/83/83/310058383.db2.gz HFXSPPQNUOPDHN-ZQDZILKHSA-N 2 2 342.936 3.330 20 0 EGADLP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000449482991 310065806 /nfs/dbraw/zinc/06/58/06/310065806.db2.gz FMSWVPBKHIBKLJ-NRFANRHFSA-N 2 2 339.483 3.197 20 0 EGADLP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000449485295 310065991 /nfs/dbraw/zinc/06/59/91/310065991.db2.gz PPJOXXNECZAIEJ-NRFANRHFSA-N 2 2 339.483 3.197 20 0 EGADLP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000449519644 310068742 /nfs/dbraw/zinc/06/87/42/310068742.db2.gz CDSURXAZSMYTOA-XLIONFOSSA-N 2 2 329.488 3.388 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449581363 310073656 /nfs/dbraw/zinc/07/36/56/310073656.db2.gz ZJUAQTUPWQNNDO-LULLPPNCSA-N 2 2 330.472 3.143 20 0 EGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449581363 310073657 /nfs/dbraw/zinc/07/36/57/310073657.db2.gz ZJUAQTUPWQNNDO-LULLPPNCSA-N 2 2 330.472 3.143 20 0 EGADLP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449586961 310073997 /nfs/dbraw/zinc/07/39/97/310073997.db2.gz NNTJJSLLIYUFGQ-HNNXBMFYSA-N 2 2 346.906 3.259 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449750824 310084203 /nfs/dbraw/zinc/08/42/03/310084203.db2.gz WSTREWSOPDSJRJ-GBESFXJTSA-N 2 2 337.467 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449750824 310084204 /nfs/dbraw/zinc/08/42/04/310084204.db2.gz WSTREWSOPDSJRJ-GBESFXJTSA-N 2 2 337.467 3.090 20 0 EGADLP COc1cccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449751117 310084272 /nfs/dbraw/zinc/08/42/72/310084272.db2.gz XQDCISWMHKIOJX-AEFFLSMTSA-N 2 2 325.456 3.233 20 0 EGADLP COc1cccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449751117 310084273 /nfs/dbraw/zinc/08/42/73/310084273.db2.gz XQDCISWMHKIOJX-AEFFLSMTSA-N 2 2 325.456 3.233 20 0 EGADLP CCc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449786231 310087291 /nfs/dbraw/zinc/08/72/91/310087291.db2.gz MDWQVUFHLCTCSJ-UHFFFAOYSA-N 2 2 329.410 3.493 20 0 EGADLP CCc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000449786231 310087292 /nfs/dbraw/zinc/08/72/92/310087292.db2.gz MDWQVUFHLCTCSJ-UHFFFAOYSA-N 2 2 329.410 3.493 20 0 EGADLP COc1cccc2c1cc[nH+]c2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000450343663 310116593 /nfs/dbraw/zinc/11/65/93/310116593.db2.gz YXPOHKXTFDTTTI-OAHLLOKOSA-N 2 2 341.455 3.156 20 0 EGADLP C[C@H]1CN(c2nc3cccc(F)c3s2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450421364 310121637 /nfs/dbraw/zinc/12/16/37/310121637.db2.gz SLABCLNXWDIAMX-ZDUSSCGKSA-N 2 2 348.491 3.040 20 0 EGADLP C[C@H]1CN(c2nc3cccc(F)c3s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450421364 310121638 /nfs/dbraw/zinc/12/16/38/310121638.db2.gz SLABCLNXWDIAMX-ZDUSSCGKSA-N 2 2 348.491 3.040 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453098142 310257625 /nfs/dbraw/zinc/25/76/25/310257625.db2.gz ZVRWWOPQIJIEDB-PWRODBHTSA-N 3 2 338.499 3.224 20 0 EGADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453098142 310257626 /nfs/dbraw/zinc/25/76/26/310257626.db2.gz ZVRWWOPQIJIEDB-PWRODBHTSA-N 3 2 338.499 3.224 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453254376 310266994 /nfs/dbraw/zinc/26/69/94/310266994.db2.gz DORLCALAKFVTIG-PXNSSMCTSA-N 2 2 346.515 3.460 20 0 EGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453254376 310266995 /nfs/dbraw/zinc/26/69/95/310266995.db2.gz DORLCALAKFVTIG-PXNSSMCTSA-N 2 2 346.515 3.460 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000453264277 310267764 /nfs/dbraw/zinc/26/77/64/310267764.db2.gz MMGAZTODRXOAIV-MJGOQNOKSA-N 2 2 336.907 3.098 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000453264277 310267765 /nfs/dbraw/zinc/26/77/65/310267765.db2.gz MMGAZTODRXOAIV-MJGOQNOKSA-N 2 2 336.907 3.098 20 0 EGADLP COC[C@H]([NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000453310899 310270409 /nfs/dbraw/zinc/27/04/09/310270409.db2.gz ZWKXWPSGAVVDOS-FQEVSTJZSA-N 2 2 346.515 3.072 20 0 EGADLP COC[C@H]([NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCOCC1 ZINC000453310899 310270410 /nfs/dbraw/zinc/27/04/10/310270410.db2.gz ZWKXWPSGAVVDOS-FQEVSTJZSA-N 2 2 346.515 3.072 20 0 EGADLP c1cc(C[NH+]2CCC([N@@H+]3CCC[C@@]4(CCSC4)C3)CC2)ccn1 ZINC000453337420 310271646 /nfs/dbraw/zinc/27/16/46/310271646.db2.gz AMKVBBQMCNXWFB-LJQANCHMSA-N 2 2 331.529 3.265 20 0 EGADLP c1cc(C[NH+]2CCC([N@H+]3CCC[C@@]4(CCSC4)C3)CC2)ccn1 ZINC000453337420 310271647 /nfs/dbraw/zinc/27/16/47/310271647.db2.gz AMKVBBQMCNXWFB-LJQANCHMSA-N 2 2 331.529 3.265 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454724524 310325831 /nfs/dbraw/zinc/32/58/31/310325831.db2.gz PBUWCTPUHSORPB-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454724524 310325832 /nfs/dbraw/zinc/32/58/32/310325832.db2.gz PBUWCTPUHSORPB-UHFFFAOYSA-N 2 2 341.459 3.083 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C)[nH+]1 ZINC000455480793 310362908 /nfs/dbraw/zinc/36/29/08/310362908.db2.gz OOIGSYGHKMYPKN-GOSISDBHSA-N 2 2 340.471 3.301 20 0 EGADLP c1cc2[nH+]ccc(N3CC[NH+](CCOc4ccccc4)CC3)c2s1 ZINC000462926124 310607687 /nfs/dbraw/zinc/60/76/87/310607687.db2.gz JNEAJAQLJSPLCJ-UHFFFAOYSA-N 2 2 339.464 3.497 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)[NH+](C)C)cc1 ZINC000474474257 310794376 /nfs/dbraw/zinc/79/43/76/310794376.db2.gz LCZBIGDAOXSBQN-XLNTUCKNSA-N 2 2 346.515 3.419 20 0 EGADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000492540656 311263347 /nfs/dbraw/zinc/26/33/47/311263347.db2.gz WAXNAZYJKCKFGQ-MDZDMXLPSA-N 2 2 346.519 3.277 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787329 311290997 /nfs/dbraw/zinc/29/09/97/311290997.db2.gz CGWPIUWEMOUDLZ-YJBOKZPZSA-N 2 2 349.519 3.016 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787329 311290998 /nfs/dbraw/zinc/29/09/98/311290998.db2.gz CGWPIUWEMOUDLZ-YJBOKZPZSA-N 2 2 349.519 3.016 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787326 311291129 /nfs/dbraw/zinc/29/11/29/311291129.db2.gz CGWPIUWEMOUDLZ-MAUKXSAKSA-N 2 2 349.519 3.016 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000492787326 311291131 /nfs/dbraw/zinc/29/11/31/311291131.db2.gz CGWPIUWEMOUDLZ-MAUKXSAKSA-N 2 2 349.519 3.016 20 0 EGADLP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495612406 311585791 /nfs/dbraw/zinc/58/57/91/311585791.db2.gz MASUVTKALCWMEU-OAHLLOKOSA-N 2 2 339.524 3.096 20 0 EGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c2c(C)cccn12)NC(=O)OC(C)(C)C ZINC000496584913 311734224 /nfs/dbraw/zinc/73/42/24/311734224.db2.gz PDEQIHAXKXPVMD-AWEZNQCLSA-N 2 2 332.448 3.036 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)c[nH+]1 ZINC000496832444 311772035 /nfs/dbraw/zinc/77/20/35/311772035.db2.gz YJWRLVKPWVEIQZ-KRWDZBQOSA-N 2 2 333.476 3.216 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474291 312049899 /nfs/dbraw/zinc/04/98/99/312049899.db2.gz MFNWMHHLHGEZOF-WCIQWLHISA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506474291 312049902 /nfs/dbraw/zinc/04/99/02/312049902.db2.gz MFNWMHHLHGEZOF-WCIQWLHISA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506474291 312049904 /nfs/dbraw/zinc/04/99/04/312049904.db2.gz MFNWMHHLHGEZOF-WCIQWLHISA-N 2 2 349.563 3.268 20 0 EGADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506474291 312049908 /nfs/dbraw/zinc/04/99/08/312049908.db2.gz MFNWMHHLHGEZOF-WCIQWLHISA-N 2 2 349.563 3.268 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506479802 312050308 /nfs/dbraw/zinc/05/03/08/312050308.db2.gz KDIMXLJWIBCCOR-CADBVGFASA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506479802 312050309 /nfs/dbraw/zinc/05/03/09/312050309.db2.gz KDIMXLJWIBCCOR-CADBVGFASA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506479802 312050312 /nfs/dbraw/zinc/05/03/12/312050312.db2.gz KDIMXLJWIBCCOR-CADBVGFASA-N 2 2 337.552 3.266 20 0 EGADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506479802 312050314 /nfs/dbraw/zinc/05/03/14/312050314.db2.gz KDIMXLJWIBCCOR-CADBVGFASA-N 2 2 337.552 3.266 20 0 EGADLP COCC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000510604243 312144632 /nfs/dbraw/zinc/14/46/32/312144632.db2.gz WEGKUKMQVKYKKE-FQEVSTJZSA-N 2 2 347.547 3.240 20 0 EGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510723478 312146887 /nfs/dbraw/zinc/14/68/87/312146887.db2.gz RUWWHCBTYNMJDU-OAGGEKHMSA-N 2 2 340.458 3.375 20 0 EGADLP C[C@H](CCc1c(F)cccc1F)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510723478 312146889 /nfs/dbraw/zinc/14/68/89/312146889.db2.gz RUWWHCBTYNMJDU-OAGGEKHMSA-N 2 2 340.458 3.375 20 0 EGADLP CCC[N@@H+](Cc1ccccc1N1CC[NH+](CC)CC1)CC(F)F ZINC000512604650 312190036 /nfs/dbraw/zinc/19/00/36/312190036.db2.gz NNLMHBGMVWPPLI-UHFFFAOYSA-N 2 2 325.447 3.306 20 0 EGADLP CCC[N@H+](Cc1ccccc1N1CC[NH+](CC)CC1)CC(F)F ZINC000512604650 312190037 /nfs/dbraw/zinc/19/00/37/312190037.db2.gz NNLMHBGMVWPPLI-UHFFFAOYSA-N 2 2 325.447 3.306 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCCCC2)c(C)c1OC ZINC000514086509 312224273 /nfs/dbraw/zinc/22/42/73/312224273.db2.gz BBRCRFMQPGLYEA-MRXNPFEDSA-N 2 2 334.504 3.409 20 0 EGADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276616 312318701 /nfs/dbraw/zinc/31/87/01/312318701.db2.gz GRFVHOOCFZCKSH-GOSISDBHSA-N 2 2 326.440 3.024 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000516276616 312318703 /nfs/dbraw/zinc/31/87/03/312318703.db2.gz GRFVHOOCFZCKSH-GOSISDBHSA-N 2 2 326.440 3.024 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000516367331 312321548 /nfs/dbraw/zinc/32/15/48/312321548.db2.gz TUGHOMXEVBFSDU-ZIAGYGMSSA-N 2 2 325.294 3.312 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000516367331 312321549 /nfs/dbraw/zinc/32/15/49/312321549.db2.gz TUGHOMXEVBFSDU-ZIAGYGMSSA-N 2 2 325.294 3.312 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000516367330 312321640 /nfs/dbraw/zinc/32/16/40/312321640.db2.gz TUGHOMXEVBFSDU-UONOGXRCSA-N 2 2 325.294 3.312 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000516367330 312321642 /nfs/dbraw/zinc/32/16/42/312321642.db2.gz TUGHOMXEVBFSDU-UONOGXRCSA-N 2 2 325.294 3.312 20 0 EGADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000516914607 312350521 /nfs/dbraw/zinc/35/05/21/312350521.db2.gz SASCYMKKABELDN-KRWDZBQOSA-N 2 2 340.427 3.384 20 0 EGADLP CC(C)CCOc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000521841602 312561290 /nfs/dbraw/zinc/56/12/90/312561290.db2.gz ULKLZVKPPRFRRQ-HXUWFJFHSA-N 2 2 348.531 3.294 20 0 EGADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1OC ZINC000527520189 312874244 /nfs/dbraw/zinc/87/42/44/312874244.db2.gz HECJSQQQUAWPPM-JKSUJKDBSA-N 2 2 331.460 3.462 20 0 EGADLP Cc1[nH+]ccn1CCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000528608225 313128880 /nfs/dbraw/zinc/12/88/80/313128880.db2.gz NEVLQQGXIOOISX-HXUWFJFHSA-N 2 2 326.488 3.034 20 0 EGADLP Cc1[nH+]ccn1CCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000528608225 313128882 /nfs/dbraw/zinc/12/88/82/313128882.db2.gz NEVLQQGXIOOISX-HXUWFJFHSA-N 2 2 326.488 3.034 20 0 EGADLP Cc1[nH+]ccn1CC[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC000528608225 313128884 /nfs/dbraw/zinc/12/88/84/313128884.db2.gz NEVLQQGXIOOISX-HXUWFJFHSA-N 2 2 326.488 3.034 20 0 EGADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC000528608225 313128886 /nfs/dbraw/zinc/12/88/86/313128886.db2.gz NEVLQQGXIOOISX-HXUWFJFHSA-N 2 2 326.488 3.034 20 0 EGADLP CC(C)[C@@H]1CN(CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000528640463 313135506 /nfs/dbraw/zinc/13/55/06/313135506.db2.gz OWMBQOXMTPCXBD-FQEVSTJZSA-N 2 2 326.488 3.116 20 0 EGADLP CC(C)[C@@H]1CN(CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000528640463 313135509 /nfs/dbraw/zinc/13/55/09/313135509.db2.gz OWMBQOXMTPCXBD-FQEVSTJZSA-N 2 2 326.488 3.116 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC(F)(F)C[C@H]3C)c2cc1C ZINC000528771631 313169439 /nfs/dbraw/zinc/16/94/39/313169439.db2.gz YSYGRNIVSPERRA-CABCVRRESA-N 2 2 337.414 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC(F)(F)C[C@H]3C)c2cc1C ZINC000528771631 313169440 /nfs/dbraw/zinc/16/94/40/313169440.db2.gz YSYGRNIVSPERRA-CABCVRRESA-N 2 2 337.414 3.134 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)O[C@H](C)C2 ZINC000535079969 314024399 /nfs/dbraw/zinc/02/43/99/314024399.db2.gz IUPGWURUVKIQEN-KGLIPLIRSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)O[C@H](C)C2 ZINC000535079969 314024401 /nfs/dbraw/zinc/02/44/01/314024401.db2.gz IUPGWURUVKIQEN-KGLIPLIRSA-N 2 2 327.428 3.121 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000536594185 314128409 /nfs/dbraw/zinc/12/84/09/314128409.db2.gz DMILOHMFVIULMY-CYBMUJFWSA-N 2 2 326.375 3.204 20 0 EGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000536594185 314128411 /nfs/dbraw/zinc/12/84/11/314128411.db2.gz DMILOHMFVIULMY-CYBMUJFWSA-N 2 2 326.375 3.204 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000536696471 314138763 /nfs/dbraw/zinc/13/87/63/314138763.db2.gz OYYVDNJXSGXSJA-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000536696471 314138767 /nfs/dbraw/zinc/13/87/67/314138767.db2.gz OYYVDNJXSGXSJA-HZPDHXFCSA-N 2 2 332.488 3.182 20 0 EGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@@H](C)C1 ZINC000537455264 314182400 /nfs/dbraw/zinc/18/24/00/314182400.db2.gz BPROTGPKNGJDFC-PKOBYXMFSA-N 2 2 348.535 3.477 20 0 EGADLP CCOCCC[N@H+]1CC[C@@H](Nc2ccc(N(CC)CC)[nH+]c2)[C@@H](C)C1 ZINC000537455264 314182401 /nfs/dbraw/zinc/18/24/01/314182401.db2.gz BPROTGPKNGJDFC-PKOBYXMFSA-N 2 2 348.535 3.477 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000539496521 314317016 /nfs/dbraw/zinc/31/70/16/314317016.db2.gz NCZYJOZYRPWVNM-HOTGVXAUSA-N 2 2 329.488 3.200 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000539496521 314317020 /nfs/dbraw/zinc/31/70/20/314317020.db2.gz NCZYJOZYRPWVNM-HOTGVXAUSA-N 2 2 329.488 3.200 20 0 EGADLP CCc1cc(Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nc(C)[nH+]1 ZINC000542007258 314512233 /nfs/dbraw/zinc/51/22/33/314512233.db2.gz FMHGFTGSWXOHFB-AWEZNQCLSA-N 2 2 326.444 3.484 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C)c[nH+]1 ZINC000549206840 315081269 /nfs/dbraw/zinc/08/12/69/315081269.db2.gz QBRQPGVBKFKZLD-QGZVFWFLSA-N 2 2 346.862 3.198 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@]3(C)CCCO3)CC2)c1 ZINC000550892902 315137098 /nfs/dbraw/zinc/13/70/98/315137098.db2.gz VGGOQNNKNVUGDU-CTNGQTDRSA-N 2 2 345.531 3.054 20 0 EGADLP Cc1ccc2[nH+]c(CNC[C@H](C(C)C)[NH+]3CCC(C)CC3)cn2c1 ZINC000551226075 315145926 /nfs/dbraw/zinc/14/59/26/315145926.db2.gz BWPTYXVTXIYIHJ-LJQANCHMSA-N 2 2 328.504 3.489 20 0 EGADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000552282857 315210714 /nfs/dbraw/zinc/21/07/14/315210714.db2.gz PWYNAWNXXHPFMI-AZUAARDMSA-N 2 2 348.450 3.175 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000552904765 315237028 /nfs/dbraw/zinc/23/70/28/315237028.db2.gz VVCRJSNDXJZINC-FQEVSTJZSA-N 2 2 325.431 3.462 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccc4cc[nH]c43)c2cc1C ZINC000553790524 315282759 /nfs/dbraw/zinc/28/27/59/315282759.db2.gz XSRILFWZHIQRSC-GOSISDBHSA-N 2 2 348.450 3.285 20 0 EGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347632 315311551 /nfs/dbraw/zinc/31/15/51/315311551.db2.gz XBZTWVLPZAFUML-CZUORRHYSA-N 2 2 328.859 3.488 20 0 EGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347632 315311553 /nfs/dbraw/zinc/31/15/53/315311553.db2.gz XBZTWVLPZAFUML-CZUORRHYSA-N 2 2 328.859 3.488 20 0 EGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347633 315311732 /nfs/dbraw/zinc/31/17/32/315311732.db2.gz XBZTWVLPZAFUML-XJKSGUPXSA-N 2 2 328.859 3.488 20 0 EGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](COC)c2cccc(Cl)c2F)C1 ZINC000554347633 315311735 /nfs/dbraw/zinc/31/17/35/315311735.db2.gz XBZTWVLPZAFUML-XJKSGUPXSA-N 2 2 328.859 3.488 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1CCC12CCOCC2)[N@@H+]1CCc2ccccc2C1 ZINC000554560879 315332568 /nfs/dbraw/zinc/33/25/68/315332568.db2.gz IQKAOCSRBIHCJH-PMACEKPBSA-N 2 2 328.500 3.372 20 0 EGADLP CC[C@@H](C[NH2+][C@H]1CCC12CCOCC2)[N@H+]1CCc2ccccc2C1 ZINC000554560879 315332570 /nfs/dbraw/zinc/33/25/70/315332570.db2.gz IQKAOCSRBIHCJH-PMACEKPBSA-N 2 2 328.500 3.372 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c(C)c1 ZINC000554831451 315351641 /nfs/dbraw/zinc/35/16/41/315351641.db2.gz OMUVEHZMHIITJK-IBGZPJMESA-N 2 2 337.467 3.421 20 0 EGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000554843376 315352217 /nfs/dbraw/zinc/35/22/17/315352217.db2.gz NSADPNNEPYFYAB-FQEVSTJZSA-N 2 2 329.532 3.363 20 0 EGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000554843376 315352220 /nfs/dbraw/zinc/35/22/20/315352220.db2.gz NSADPNNEPYFYAB-FQEVSTJZSA-N 2 2 329.532 3.363 20 0 EGADLP Cc1nc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000560375483 315681058 /nfs/dbraw/zinc/68/10/58/315681058.db2.gz UCSKAWCNNYLOAP-YJBOKZPZSA-N 2 2 344.528 3.091 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358088 316005411 /nfs/dbraw/zinc/00/54/11/316005411.db2.gz YJHMKSMFMZYKAZ-IRXDYDNUSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000563358088 316005414 /nfs/dbraw/zinc/00/54/14/316005414.db2.gz YJHMKSMFMZYKAZ-IRXDYDNUSA-N 2 2 340.471 3.162 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc2cccnc12 ZINC000563429115 316020610 /nfs/dbraw/zinc/02/06/10/316020610.db2.gz PHRUGANGAXJZBX-HXUWFJFHSA-N 2 2 339.483 3.230 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc2cccnc12 ZINC000563429115 316020615 /nfs/dbraw/zinc/02/06/15/316020615.db2.gz PHRUGANGAXJZBX-HXUWFJFHSA-N 2 2 339.483 3.230 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)nn1 ZINC000563652514 316051385 /nfs/dbraw/zinc/05/13/85/316051385.db2.gz XNMOKHXSWBFBSF-SFHVURJKSA-N 2 2 329.492 3.032 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000563748014 316064066 /nfs/dbraw/zinc/06/40/66/316064066.db2.gz OQZBSWKCLMVJTE-NQIIRXRSSA-N 2 2 326.484 3.354 20 0 EGADLP COC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000563748014 316064070 /nfs/dbraw/zinc/06/40/70/316064070.db2.gz OQZBSWKCLMVJTE-NQIIRXRSSA-N 2 2 326.484 3.354 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144185 316117441 /nfs/dbraw/zinc/11/74/41/316117441.db2.gz LJHSWMHVLCFXHW-UZLBHIALSA-N 2 2 341.499 3.492 20 0 EGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000564144185 316117444 /nfs/dbraw/zinc/11/74/44/316117444.db2.gz LJHSWMHVLCFXHW-UZLBHIALSA-N 2 2 341.499 3.492 20 0 EGADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000564458271 316155350 /nfs/dbraw/zinc/15/53/50/316155350.db2.gz QVLIDDHLNGVLGP-MRXNPFEDSA-N 2 2 326.444 3.377 20 0 EGADLP CC1([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[NH2+]CC1 ZINC000564548674 316165633 /nfs/dbraw/zinc/16/56/33/316165633.db2.gz WDYMUGNURGKEJS-UHFFFAOYSA-N 2 2 349.276 3.071 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000564829315 316213040 /nfs/dbraw/zinc/21/30/40/316213040.db2.gz SCZHHKUSBGQOOF-NZSAHSFTSA-N 2 2 343.515 3.029 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000564829315 316213045 /nfs/dbraw/zinc/21/30/45/316213045.db2.gz SCZHHKUSBGQOOF-NZSAHSFTSA-N 2 2 343.515 3.029 20 0 EGADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000564844811 316216386 /nfs/dbraw/zinc/21/63/86/316216386.db2.gz QEPVHEPXBVTBME-UWJYYQICSA-N 2 2 335.451 3.186 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(Br)cc2F)n1C ZINC000565242286 316298312 /nfs/dbraw/zinc/29/83/12/316298312.db2.gz MQRLUIOTHWXPAU-SECBINFHSA-N 2 2 326.213 3.481 20 0 EGADLP CC1(C)CC[C@H]1[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000565495923 316331544 /nfs/dbraw/zinc/33/15/44/316331544.db2.gz CLOLAZMYJLVZAF-HXUWFJFHSA-N 2 2 329.532 3.363 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222103 317167596 /nfs/dbraw/zinc/16/75/96/317167596.db2.gz XRRPQSHJLRHLCL-OXQOHEQNSA-N 2 2 334.467 3.498 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cnn(C)c3c2)C1 ZINC000571222103 317167599 /nfs/dbraw/zinc/16/75/99/317167599.db2.gz XRRPQSHJLRHLCL-OXQOHEQNSA-N 2 2 334.467 3.498 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH+](C)C)CCCCCC3)ccn12 ZINC000571939561 317269097 /nfs/dbraw/zinc/26/90/97/317269097.db2.gz IJUUBYRFEPPLCJ-UHFFFAOYSA-N 2 2 328.460 3.027 20 0 EGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000572832897 317398409 /nfs/dbraw/zinc/39/84/09/317398409.db2.gz HWCXMJNDKIRRHM-ZACQAIPSSA-N 2 2 336.357 3.473 20 0 EGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000178332294 323355801 /nfs/dbraw/zinc/35/58/01/323355801.db2.gz GHQZVPCYRHCSKA-AZUAARDMSA-N 2 2 332.488 3.019 20 0 EGADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178332294 323355804 /nfs/dbraw/zinc/35/58/04/323355804.db2.gz GHQZVPCYRHCSKA-AZUAARDMSA-N 2 2 332.488 3.019 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870877 324285363 /nfs/dbraw/zinc/28/53/63/324285363.db2.gz QHXSUVWIGHWPNY-WBVHZDCISA-N 2 2 344.421 3.190 20 0 EGADLP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)(F)F ZINC000390870877 324285367 /nfs/dbraw/zinc/28/53/67/324285367.db2.gz QHXSUVWIGHWPNY-WBVHZDCISA-N 2 2 344.421 3.190 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000580561581 325267751 /nfs/dbraw/zinc/26/77/51/325267751.db2.gz IWIZFJXOLPIZCO-KRWDZBQOSA-N 2 2 342.487 3.320 20 0 EGADLP O[C@H](C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000580934359 325310663 /nfs/dbraw/zinc/31/06/63/325310663.db2.gz RRTLPUMENWZMHV-ROUUACIJSA-N 2 2 348.487 3.217 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000581245191 325345410 /nfs/dbraw/zinc/34/54/10/325345410.db2.gz FWUDARDSCVAGHD-IFXJQAMLSA-N 2 2 337.467 3.484 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)Oc2ccccc2Br)n1C ZINC000581380848 325357062 /nfs/dbraw/zinc/35/70/62/325357062.db2.gz HGRIRBPCXFNOET-LLVKDONJSA-N 2 2 338.249 3.048 20 0 EGADLP CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000583588909 325536196 /nfs/dbraw/zinc/53/61/96/325536196.db2.gz USYHILFMMPBKGH-HZPDHXFCSA-N 2 2 339.439 3.429 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cncc(Br)c1)CCC2 ZINC000341365469 456856664 /nfs/dbraw/zinc/85/66/64/456856664.db2.gz JUPAIJUZIFTWEW-ZDUSSCGKSA-N 2 2 335.249 3.016 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138795 455236684 /nfs/dbraw/zinc/23/66/84/455236684.db2.gz KFEUDAZZXCCTDB-YSIASYRMSA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000183138795 455236685 /nfs/dbraw/zinc/23/66/85/455236685.db2.gz KFEUDAZZXCCTDB-YSIASYRMSA-N 2 2 325.456 3.373 20 0 EGADLP Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)nc(C2CC2)[nH+]1 ZINC000264660618 455258115 /nfs/dbraw/zinc/25/81/15/455258115.db2.gz RCDDYDJPFNSYPF-UHFFFAOYSA-N 2 2 338.455 3.107 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000181095056 455286026 /nfs/dbraw/zinc/28/60/26/455286026.db2.gz MOOIOFOQNSQAJT-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(Cl)c1 ZINC000181095056 455286031 /nfs/dbraw/zinc/28/60/31/455286031.db2.gz MOOIOFOQNSQAJT-AWEZNQCLSA-N 2 2 334.851 3.194 20 0 EGADLP CCSCC[C@@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000174036240 455353409 /nfs/dbraw/zinc/35/34/09/455353409.db2.gz SCDBWVFLUXBGFJ-SJORKVTESA-N 2 2 349.544 3.478 20 0 EGADLP CCSCC[C@@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000174036240 455353414 /nfs/dbraw/zinc/35/34/14/455353414.db2.gz SCDBWVFLUXBGFJ-SJORKVTESA-N 2 2 349.544 3.478 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ncc(Br)s1 ZINC000245696448 455357665 /nfs/dbraw/zinc/35/76/65/455357665.db2.gz VRBVDUUPGDBEHE-GARJFASQSA-N 2 2 332.311 3.429 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000632008674 460611347 /nfs/dbraw/zinc/61/13/47/460611347.db2.gz ZXQCIPKXZMMBDP-INIZCTEOSA-N 2 2 340.471 3.175 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000632008674 460611351 /nfs/dbraw/zinc/61/13/51/460611351.db2.gz ZXQCIPKXZMMBDP-INIZCTEOSA-N 2 2 340.471 3.175 20 0 EGADLP COc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1OCc1ccccc1 ZINC000022468676 453693168 /nfs/dbraw/zinc/69/31/68/453693168.db2.gz CCHCGYDIMZEPFO-UHFFFAOYSA-N 2 2 340.467 3.460 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000075061496 453856594 /nfs/dbraw/zinc/85/65/94/453856594.db2.gz IKMOYYNZQOAXSZ-CABCVRRESA-N 2 2 339.439 3.084 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000075061496 453856598 /nfs/dbraw/zinc/85/65/98/453856598.db2.gz IKMOYYNZQOAXSZ-CABCVRRESA-N 2 2 339.439 3.084 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567897 453888426 /nfs/dbraw/zinc/88/84/26/453888426.db2.gz NUQIIHDEPKKCAM-JKSUJKDBSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567897 453888427 /nfs/dbraw/zinc/88/84/27/453888427.db2.gz NUQIIHDEPKKCAM-JKSUJKDBSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567897 453888429 /nfs/dbraw/zinc/88/84/29/453888429.db2.gz NUQIIHDEPKKCAM-JKSUJKDBSA-N 2 2 335.467 3.125 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000081567897 453888431 /nfs/dbraw/zinc/88/84/31/453888431.db2.gz NUQIIHDEPKKCAM-JKSUJKDBSA-N 2 2 335.467 3.125 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835290 453929566 /nfs/dbraw/zinc/92/95/66/453929566.db2.gz OJYRZHZSPWXOAA-RTBURBONSA-N 2 2 343.515 3.014 20 0 EGADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835290 453929572 /nfs/dbraw/zinc/92/95/72/453929572.db2.gz OJYRZHZSPWXOAA-RTBURBONSA-N 2 2 343.515 3.014 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000076004132 453948402 /nfs/dbraw/zinc/94/84/02/453948402.db2.gz UBOQWRDLGHHLJR-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000076004132 453948405 /nfs/dbraw/zinc/94/84/05/453948405.db2.gz UBOQWRDLGHHLJR-BZSNNMDCSA-N 2 2 343.515 3.016 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076004480 453948881 /nfs/dbraw/zinc/94/88/81/453948881.db2.gz LSEHLWYJIFLQMI-QUCCMNQESA-N 2 2 345.531 3.308 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000076004480 453948882 /nfs/dbraw/zinc/94/88/82/453948882.db2.gz LSEHLWYJIFLQMI-QUCCMNQESA-N 2 2 345.531 3.308 20 0 EGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069296 453955743 /nfs/dbraw/zinc/95/57/43/453955743.db2.gz ZQJUCOCEKWHPDU-JRPNMDOOSA-N 2 2 329.257 3.407 20 0 EGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000041069296 453955744 /nfs/dbraw/zinc/95/57/44/453955744.db2.gz ZQJUCOCEKWHPDU-JRPNMDOOSA-N 2 2 329.257 3.407 20 0 EGADLP Cc1cc(N2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc(C(C)C)[nH+]1 ZINC000067715972 453959681 /nfs/dbraw/zinc/95/96/81/453959681.db2.gz XHGYWHJXOMVDAG-INIZCTEOSA-N 2 2 325.460 3.187 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)c2ccsc2)n1-c1ccccc1 ZINC000084046616 453965931 /nfs/dbraw/zinc/96/59/31/453965931.db2.gz MXQGPLVZIHPQOH-SFHVURJKSA-N 2 2 327.453 3.240 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cscn3)cc2)C[C@H](C)O1 ZINC000084706359 454006647 /nfs/dbraw/zinc/00/66/47/454006647.db2.gz MRFGFXLMMGLCQP-GASCZTMLSA-N 2 2 331.485 3.042 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cscn3)cc2)C[C@H](C)O1 ZINC000084706359 454006649 /nfs/dbraw/zinc/00/66/49/454006649.db2.gz MRFGFXLMMGLCQP-GASCZTMLSA-N 2 2 331.485 3.042 20 0 EGADLP CCc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000068693442 454045048 /nfs/dbraw/zinc/04/50/48/454045048.db2.gz IXIFPKSHOBAEJS-HNNXBMFYSA-N 2 2 325.460 3.243 20 0 EGADLP CCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000068693442 454045051 /nfs/dbraw/zinc/04/50/51/454045051.db2.gz IXIFPKSHOBAEJS-HNNXBMFYSA-N 2 2 325.460 3.243 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000088728002 454117716 /nfs/dbraw/zinc/11/77/16/454117716.db2.gz VGVSXTZBEDPTJA-AYBZRNKSSA-N 2 2 330.497 3.066 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000088728002 454117719 /nfs/dbraw/zinc/11/77/19/454117719.db2.gz VGVSXTZBEDPTJA-AYBZRNKSSA-N 2 2 330.497 3.066 20 0 EGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2C1 ZINC000095450317 454214998 /nfs/dbraw/zinc/21/49/98/454214998.db2.gz WWLVPVDJCJKUBK-OAHLLOKOSA-N 2 2 338.455 3.056 20 0 EGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2C1 ZINC000095450317 454215000 /nfs/dbraw/zinc/21/50/00/454215000.db2.gz WWLVPVDJCJKUBK-OAHLLOKOSA-N 2 2 338.455 3.056 20 0 EGADLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC000095964081 454240456 /nfs/dbraw/zinc/24/04/56/454240456.db2.gz VHMACAXRCZMIPI-CQSZACIVSA-N 2 2 332.473 3.215 20 0 EGADLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1C ZINC000095964081 454240462 /nfs/dbraw/zinc/24/04/62/454240462.db2.gz VHMACAXRCZMIPI-CQSZACIVSA-N 2 2 332.473 3.215 20 0 EGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncc(C)o2)CC1 ZINC000095984727 454250374 /nfs/dbraw/zinc/25/03/74/454250374.db2.gz KLSDJUZYVLYNIN-OAHLLOKOSA-N 2 2 346.450 3.115 20 0 EGADLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000090177144 454289993 /nfs/dbraw/zinc/28/99/93/454289993.db2.gz WKXUYLHEVIIPII-HXUWFJFHSA-N 2 2 343.446 3.162 20 0 EGADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003041 454323900 /nfs/dbraw/zinc/32/39/00/454323900.db2.gz JPPQEZQQVDUGEM-UHFFFAOYSA-N 2 2 347.825 3.350 20 0 EGADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090846828 454345131 /nfs/dbraw/zinc/34/51/31/454345131.db2.gz HCCNHSUFICHJON-OAHLLOKOSA-N 2 2 332.469 3.077 20 0 EGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000090847493 454345613 /nfs/dbraw/zinc/34/56/13/454345613.db2.gz PQJDLKRRFVAWFA-HNNXBMFYSA-N 2 2 325.412 3.240 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000078974183 454347144 /nfs/dbraw/zinc/34/71/44/454347144.db2.gz RYZUIYNXMZPNFL-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000078974183 454347148 /nfs/dbraw/zinc/34/71/48/454347148.db2.gz RYZUIYNXMZPNFL-UONOGXRCSA-N 2 2 326.387 3.013 20 0 EGADLP COc1cccc(C[C@H]([NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000120981326 454372719 /nfs/dbraw/zinc/37/27/19/454372719.db2.gz JWOWKXAEVCRGJZ-FIKGOQFSSA-N 2 2 346.515 3.105 20 0 EGADLP C[C@H](C[NH2+]Cc1ccc(OCc2ccncc2)cc1)Cn1cc[nH+]c1 ZINC000062254385 454373042 /nfs/dbraw/zinc/37/30/42/454373042.db2.gz CAMNPOMSEAAJMX-QGZVFWFLSA-N 2 2 336.439 3.283 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143751 454462159 /nfs/dbraw/zinc/46/21/59/454462159.db2.gz YQCKMYURXLJVCR-QRWLVFNGSA-N 2 2 344.886 3.410 20 0 EGADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000098143751 454462164 /nfs/dbraw/zinc/46/21/64/454462164.db2.gz YQCKMYURXLJVCR-QRWLVFNGSA-N 2 2 344.886 3.410 20 0 EGADLP COC(=O)c1ccoc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048565024 454498966 /nfs/dbraw/zinc/49/89/66/454498966.db2.gz HVZIXXXMIKENOD-UHFFFAOYSA-N 2 2 334.460 3.154 20 0 EGADLP COc1cc2c(c(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000092071440 454516554 /nfs/dbraw/zinc/51/65/54/454516554.db2.gz DBWRJIBVVSZJSJ-KGLIPLIRSA-N 2 2 327.428 3.121 20 0 EGADLP COc1cc2c(c(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)c1)O[C@H](C)C2 ZINC000092071440 454516556 /nfs/dbraw/zinc/51/65/56/454516556.db2.gz DBWRJIBVVSZJSJ-KGLIPLIRSA-N 2 2 327.428 3.121 20 0 EGADLP FC(F)(F)COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000122595672 454550286 /nfs/dbraw/zinc/55/02/86/454550286.db2.gz GMVZNWORDARCHN-UHFFFAOYSA-N 2 2 340.349 3.056 20 0 EGADLP CN(C)c1[nH+]cccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000049728344 454558487 /nfs/dbraw/zinc/55/84/87/454558487.db2.gz PPPQHSLDKVEALV-UHFFFAOYSA-N 2 2 338.455 3.386 20 0 EGADLP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122870192 454576412 /nfs/dbraw/zinc/57/64/12/454576412.db2.gz LYPNDHJJJIXAOF-VQIMIIECSA-N 2 2 329.444 3.244 20 0 EGADLP CCOc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000122870192 454576417 /nfs/dbraw/zinc/57/64/17/454576417.db2.gz LYPNDHJJJIXAOF-VQIMIIECSA-N 2 2 329.444 3.244 20 0 EGADLP CC[C@H](C[NH2+][C@H](CC)c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000123092928 454601807 /nfs/dbraw/zinc/60/18/07/454601807.db2.gz AXYPZCCJISBACJ-WOJBJXKFSA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@H](C[NH2+][C@H](CC)c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000123092928 454601812 /nfs/dbraw/zinc/60/18/12/454601812.db2.gz AXYPZCCJISBACJ-WOJBJXKFSA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](CC)c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000123092252 454602320 /nfs/dbraw/zinc/60/23/20/454602320.db2.gz AXYPZCCJISBACJ-PMACEKPBSA-N 2 2 326.488 3.298 20 0 EGADLP CC[C@@H](C[NH2+][C@@H](CC)c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000123092252 454602324 /nfs/dbraw/zinc/60/23/24/454602324.db2.gz AXYPZCCJISBACJ-PMACEKPBSA-N 2 2 326.488 3.298 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134937338 454612351 /nfs/dbraw/zinc/61/23/51/454612351.db2.gz VFKANLOSVYHDOS-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000134937338 454612352 /nfs/dbraw/zinc/61/23/52/454612352.db2.gz VFKANLOSVYHDOS-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000134937338 454612353 /nfs/dbraw/zinc/61/23/53/454612353.db2.gz VFKANLOSVYHDOS-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000134937338 454612354 /nfs/dbraw/zinc/61/23/54/454612354.db2.gz VFKANLOSVYHDOS-DNVCBOLYSA-N 2 2 346.446 3.061 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000104949723 454613040 /nfs/dbraw/zinc/61/30/40/454613040.db2.gz OTWIUHXOKWIQKA-CYFREDJKSA-N 2 2 348.556 3.238 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000104949723 454613045 /nfs/dbraw/zinc/61/30/45/454613045.db2.gz OTWIUHXOKWIQKA-CYFREDJKSA-N 2 2 348.556 3.238 20 0 EGADLP CCOc1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052002271 454646392 /nfs/dbraw/zinc/64/63/92/454646392.db2.gz BDIUTDIOXLTSPV-UHFFFAOYSA-N 2 2 332.488 3.414 20 0 EGADLP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1F ZINC000052005481 454646643 /nfs/dbraw/zinc/64/66/43/454646643.db2.gz BBEBYXGWKSXQOE-UHFFFAOYSA-N 2 2 333.451 3.105 20 0 EGADLP Clc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933722 454650908 /nfs/dbraw/zinc/65/09/08/454650908.db2.gz FVNGREBAFPWEGJ-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP Clc1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080933722 454650910 /nfs/dbraw/zinc/65/09/10/454650910.db2.gz FVNGREBAFPWEGJ-CYBMUJFWSA-N 2 2 343.818 3.493 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959505 454658096 /nfs/dbraw/zinc/65/80/96/454658096.db2.gz QCTYVVMNKXMRSS-SFHVURJKSA-N 2 2 340.471 3.026 20 0 EGADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959505 454658100 /nfs/dbraw/zinc/65/81/00/454658100.db2.gz QCTYVVMNKXMRSS-SFHVURJKSA-N 2 2 340.471 3.026 20 0 EGADLP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(Cl)c1OC ZINC000106367217 454692783 /nfs/dbraw/zinc/69/27/83/454692783.db2.gz ILFSZNPTUFNCEU-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP C[N@@H+](Cc1cccc2c1OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336810 454704270 /nfs/dbraw/zinc/70/42/70/454704270.db2.gz IPWOOZIKZUTWDO-SFHVURJKSA-N 2 2 338.451 3.369 20 0 EGADLP C[N@H+](Cc1cccc2c1OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336810 454704275 /nfs/dbraw/zinc/70/42/75/454704275.db2.gz IPWOOZIKZUTWDO-SFHVURJKSA-N 2 2 338.451 3.369 20 0 EGADLP C[NH+](Cc1cccc2c1OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336810 454704280 /nfs/dbraw/zinc/70/42/80/454704280.db2.gz IPWOOZIKZUTWDO-SFHVURJKSA-N 2 2 338.451 3.369 20 0 EGADLP C[NH+](Cc1cccc2c1OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336810 454704282 /nfs/dbraw/zinc/70/42/82/454704282.db2.gz IPWOOZIKZUTWDO-SFHVURJKSA-N 2 2 338.451 3.369 20 0 EGADLP O=C(NCCCCC[NH+]1CCCCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000161610629 454708160 /nfs/dbraw/zinc/70/81/60/454708160.db2.gz ZPGPUPCNJSLHKN-QGZVFWFLSA-N 2 2 347.507 3.303 20 0 EGADLP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000106654396 454709955 /nfs/dbraw/zinc/70/99/55/454709955.db2.gz ACIHZHQYILXVID-PKOBYXMFSA-N 2 2 346.434 3.091 20 0 EGADLP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccc2[nH+]ccn2c1 ZINC000106654396 454709961 /nfs/dbraw/zinc/70/99/61/454709961.db2.gz ACIHZHQYILXVID-PKOBYXMFSA-N 2 2 346.434 3.091 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000124472983 454737506 /nfs/dbraw/zinc/73/75/06/454737506.db2.gz WXBFDUZFVUTNKU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000124472983 454737509 /nfs/dbraw/zinc/73/75/09/454737509.db2.gz WXBFDUZFVUTNKU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000124472983 454737514 /nfs/dbraw/zinc/73/75/14/454737514.db2.gz WXBFDUZFVUTNKU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP COc1cc(OC)c(OC)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000124472983 454737517 /nfs/dbraw/zinc/73/75/17/454737517.db2.gz WXBFDUZFVUTNKU-MRXNPFEDSA-N 2 2 336.476 3.019 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000152915977 454740243 /nfs/dbraw/zinc/74/02/43/454740243.db2.gz KJOUYPSVGXCPGV-OAHLLOKOSA-N 2 2 329.448 3.323 20 0 EGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000152915977 454740248 /nfs/dbraw/zinc/74/02/48/454740248.db2.gz KJOUYPSVGXCPGV-OAHLLOKOSA-N 2 2 329.448 3.323 20 0 EGADLP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865870 454740688 /nfs/dbraw/zinc/74/06/88/454740688.db2.gz GRQZXXNPOLXGFB-HNNXBMFYSA-N 2 2 326.425 3.187 20 0 EGADLP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093865870 454740694 /nfs/dbraw/zinc/74/06/94/454740694.db2.gz GRQZXXNPOLXGFB-HNNXBMFYSA-N 2 2 326.425 3.187 20 0 EGADLP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CC[NH+]3CCCC3)c21 ZINC000176582922 454761356 /nfs/dbraw/zinc/76/13/56/454761356.db2.gz LMIVDYOLIOCTQD-UHFFFAOYSA-N 2 2 345.487 3.170 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000162684357 454793779 /nfs/dbraw/zinc/79/37/79/454793779.db2.gz XXQUKNDFXPXPTA-WBVHZDCISA-N 2 2 341.455 3.455 20 0 EGADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000162684357 454793781 /nfs/dbraw/zinc/79/37/81/454793781.db2.gz XXQUKNDFXPXPTA-WBVHZDCISA-N 2 2 341.455 3.455 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@@H+]1C1CC1 ZINC000177194073 454834594 /nfs/dbraw/zinc/83/45/94/454834594.db2.gz MFLWEWJTGTWUDD-ZBFHGGJFSA-N 2 2 337.423 3.229 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[N@H+]1C1CC1 ZINC000177194073 454834599 /nfs/dbraw/zinc/83/45/99/454834599.db2.gz MFLWEWJTGTWUDD-ZBFHGGJFSA-N 2 2 337.423 3.229 20 0 EGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109793032 454837122 /nfs/dbraw/zinc/83/71/22/454837122.db2.gz BZLVXLJRDQQSFQ-OAHLLOKOSA-N 2 2 326.444 3.110 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000163583342 454856963 /nfs/dbraw/zinc/85/69/63/454856963.db2.gz NHUAZXLZJRGYOA-DNVCBOLYSA-N 3 2 335.923 3.377 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000163583342 454856966 /nfs/dbraw/zinc/85/69/66/454856966.db2.gz NHUAZXLZJRGYOA-DNVCBOLYSA-N 3 2 335.923 3.377 20 0 EGADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000177370230 454857150 /nfs/dbraw/zinc/85/71/50/454857150.db2.gz TZKYHLIWYVMRCD-UHFFFAOYSA-N 3 2 327.472 3.095 20 0 EGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC[NH+](C)CC1 ZINC000177370230 454857153 /nfs/dbraw/zinc/85/71/53/454857153.db2.gz TZKYHLIWYVMRCD-UHFFFAOYSA-N 3 2 327.472 3.095 20 0 EGADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(N2CCCC2=O)c1 ZINC000163829961 454866543 /nfs/dbraw/zinc/86/65/43/454866543.db2.gz VTJWPCBICBXWPS-MRXNPFEDSA-N 2 2 338.455 3.361 20 0 EGADLP CC[NH+](CC)CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000150208895 454881840 /nfs/dbraw/zinc/88/18/40/454881840.db2.gz UQBXERZFZTXEFO-UHFFFAOYSA-N 2 2 328.460 3.335 20 0 EGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)nc1)CC2 ZINC000126347392 454887899 /nfs/dbraw/zinc/88/78/99/454887899.db2.gz RQYQYYMRFUVRSB-LJQANCHMSA-N 2 2 334.423 3.361 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550274 454914041 /nfs/dbraw/zinc/91/40/41/454914041.db2.gz AKXLNEPSSXBWSX-WCQYABFASA-N 2 2 334.261 3.309 20 0 EGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000166550274 454914043 /nfs/dbraw/zinc/91/40/43/454914043.db2.gz AKXLNEPSSXBWSX-WCQYABFASA-N 2 2 334.261 3.309 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151139296 454943269 /nfs/dbraw/zinc/94/32/69/454943269.db2.gz KYLNFSUAAQQRQF-ZDUSSCGKSA-N 2 2 327.457 3.451 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151139243 454943353 /nfs/dbraw/zinc/94/33/53/454943353.db2.gz KYLNFSUAAQQRQF-CYBMUJFWSA-N 2 2 327.457 3.451 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000114198445 454947132 /nfs/dbraw/zinc/94/71/32/454947132.db2.gz OIWHQZVASXXUBP-GOSISDBHSA-N 2 2 337.467 3.322 20 0 EGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000114198445 454947133 /nfs/dbraw/zinc/94/71/33/454947133.db2.gz OIWHQZVASXXUBP-GOSISDBHSA-N 2 2 337.467 3.322 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000127334526 454954793 /nfs/dbraw/zinc/95/47/93/454954793.db2.gz IEVNRQDBZBKCEJ-KRWDZBQOSA-N 2 2 337.826 3.448 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000127334526 454954795 /nfs/dbraw/zinc/95/47/95/454954795.db2.gz IEVNRQDBZBKCEJ-KRWDZBQOSA-N 2 2 337.826 3.448 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478512 454956589 /nfs/dbraw/zinc/95/65/89/454956589.db2.gz HPINLKIXEAHAPQ-IAGOWNOFSA-N 2 2 331.504 3.329 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478512 454956592 /nfs/dbraw/zinc/95/65/92/454956592.db2.gz HPINLKIXEAHAPQ-IAGOWNOFSA-N 2 2 331.504 3.329 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@](C)(O)c3cccc(Cl)c3)n2c1 ZINC000185114333 455504551 /nfs/dbraw/zinc/50/45/51/455504551.db2.gz YHQAJATYFQJHFS-GOSISDBHSA-N 2 2 329.831 3.293 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCSC1 ZINC000155218606 454975663 /nfs/dbraw/zinc/97/56/63/454975663.db2.gz PNPYOGFBAGIAAF-OAHLLOKOSA-N 2 2 343.452 3.250 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@@H]1CCSC1 ZINC000155218606 454975666 /nfs/dbraw/zinc/97/56/66/454975666.db2.gz PNPYOGFBAGIAAF-OAHLLOKOSA-N 2 2 343.452 3.250 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000155748251 455040048 /nfs/dbraw/zinc/04/00/48/455040048.db2.gz AMRMNIBSWHJMRH-CYBMUJFWSA-N 2 2 345.409 3.352 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000155748251 455040052 /nfs/dbraw/zinc/04/00/52/455040052.db2.gz AMRMNIBSWHJMRH-CYBMUJFWSA-N 2 2 345.409 3.352 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000155775849 455044203 /nfs/dbraw/zinc/04/42/03/455044203.db2.gz SSDUUWKRIAKZBQ-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000155775849 455044205 /nfs/dbraw/zinc/04/42/05/455044205.db2.gz SSDUUWKRIAKZBQ-HNNXBMFYSA-N 2 2 339.911 3.007 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128476177 455059412 /nfs/dbraw/zinc/05/94/12/455059412.db2.gz BMEBXFDRKXXSGM-CYBMUJFWSA-N 2 2 332.275 3.237 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000128476177 455059415 /nfs/dbraw/zinc/05/94/15/455059415.db2.gz BMEBXFDRKXXSGM-CYBMUJFWSA-N 2 2 332.275 3.237 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000152376179 455109656 /nfs/dbraw/zinc/10/96/56/455109656.db2.gz UAIVUADQCWZPOW-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000152376179 455109657 /nfs/dbraw/zinc/10/96/57/455109657.db2.gz UAIVUADQCWZPOW-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152376179 455109658 /nfs/dbraw/zinc/10/96/58/455109658.db2.gz UAIVUADQCWZPOW-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP C[NH+](CC(=O)Nc1ccccc1C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152376179 455109661 /nfs/dbraw/zinc/10/96/61/455109661.db2.gz UAIVUADQCWZPOW-MRXNPFEDSA-N 2 2 331.504 3.196 20 0 EGADLP CC1CC[NH+](CCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180014071 455116557 /nfs/dbraw/zinc/11/65/57/455116557.db2.gz XXCWETNOHZQGRW-FQEVSTJZSA-N 2 2 344.478 3.360 20 0 EGADLP CCOc1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(C)nn1CC(C)C ZINC000623655935 460663886 /nfs/dbraw/zinc/66/38/86/460663886.db2.gz JCEQQQYCSDXAJY-KRWDZBQOSA-N 2 2 336.524 3.068 20 0 EGADLP CCOc1c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(C)nn1CC(C)C ZINC000623655935 460663893 /nfs/dbraw/zinc/66/38/93/460663893.db2.gz JCEQQQYCSDXAJY-KRWDZBQOSA-N 2 2 336.524 3.068 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157254614 455177022 /nfs/dbraw/zinc/17/70/22/455177022.db2.gz PJKYGJIIEGBSMC-LJQANCHMSA-N 2 2 337.552 3.077 20 0 EGADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157254614 455177027 /nfs/dbraw/zinc/17/70/27/455177027.db2.gz PJKYGJIIEGBSMC-LJQANCHMSA-N 2 2 337.552 3.077 20 0 EGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000157306577 455182111 /nfs/dbraw/zinc/18/21/11/455182111.db2.gz XEUIMGOLNBOXNN-SLFFLAALSA-N 2 2 347.547 3.118 20 0 EGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000157306577 455182114 /nfs/dbraw/zinc/18/21/14/455182114.db2.gz XEUIMGOLNBOXNN-SLFFLAALSA-N 2 2 347.547 3.118 20 0 EGADLP C[C@@H](CC[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237565305 455194766 /nfs/dbraw/zinc/19/47/66/455194766.db2.gz YZLBHRPDIAGXFO-PGRDOPGGSA-N 2 2 338.495 3.189 20 0 EGADLP C[C@@H](CC[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237565305 455194767 /nfs/dbraw/zinc/19/47/67/455194767.db2.gz YZLBHRPDIAGXFO-PGRDOPGGSA-N 2 2 338.495 3.189 20 0 EGADLP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc21 ZINC000157489650 455199341 /nfs/dbraw/zinc/19/93/41/455199341.db2.gz XZHSTANCMKRXJR-IBGZPJMESA-N 2 2 341.503 3.463 20 0 EGADLP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnc21 ZINC000157489650 455199345 /nfs/dbraw/zinc/19/93/45/455199345.db2.gz XZHSTANCMKRXJR-IBGZPJMESA-N 2 2 341.503 3.463 20 0 EGADLP C[C@H]1C[C@H]1c1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)o1 ZINC000237673088 455206319 /nfs/dbraw/zinc/20/63/19/455206319.db2.gz ZHPFBVFVHWRATD-WMLDXEAASA-N 2 2 326.444 3.162 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442275 455301222 /nfs/dbraw/zinc/30/12/22/455301222.db2.gz WEXASNAYWQOLFT-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442275 455301225 /nfs/dbraw/zinc/30/12/25/455301225.db2.gz WEXASNAYWQOLFT-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442275 455301226 /nfs/dbraw/zinc/30/12/26/455301226.db2.gz WEXASNAYWQOLFT-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000245442275 455301228 /nfs/dbraw/zinc/30/12/28/455301228.db2.gz WEXASNAYWQOLFT-CABCVRRESA-N 2 2 337.895 3.331 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245467117 455308675 /nfs/dbraw/zinc/30/86/75/455308675.db2.gz ZIXXPANXIJUBEW-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000245467117 455308678 /nfs/dbraw/zinc/30/86/78/455308678.db2.gz ZIXXPANXIJUBEW-MOPGFXCFSA-N 2 2 343.515 3.438 20 0 EGADLP CC[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+](CC)CC ZINC000265429500 455323597 /nfs/dbraw/zinc/32/35/97/455323597.db2.gz BPCITWVIWUYFQV-APWZRJJASA-N 2 2 347.503 3.139 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265471266 455330444 /nfs/dbraw/zinc/33/04/44/455330444.db2.gz HZKPOVHFDPKGAJ-GFCCVEGCSA-N 2 2 332.835 3.270 20 0 EGADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245702954 455360305 /nfs/dbraw/zinc/36/03/05/455360305.db2.gz RRNMHOLVOPVTBH-XJKCOSOUSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245702954 455360309 /nfs/dbraw/zinc/36/03/09/455360309.db2.gz RRNMHOLVOPVTBH-XJKCOSOUSA-N 2 2 348.397 3.071 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(F)c1F ZINC000181958057 455404722 /nfs/dbraw/zinc/40/47/22/455404722.db2.gz ITXANKGPIFSSQL-YOEHRIQHSA-N 2 2 346.421 3.035 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000247038574 455549182 /nfs/dbraw/zinc/54/91/82/455549182.db2.gz LRMSVXMSXUYMIJ-CRAIPNDOSA-N 2 2 344.890 3.173 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(Cl)nc1 ZINC000247038574 455549186 /nfs/dbraw/zinc/54/91/86/455549186.db2.gz LRMSVXMSXUYMIJ-CRAIPNDOSA-N 2 2 344.890 3.173 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247166847 455568087 /nfs/dbraw/zinc/56/80/87/455568087.db2.gz TUAADZAAJCEWKU-RBUKOAKNSA-N 2 2 337.552 3.268 20 0 EGADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247166847 455568093 /nfs/dbraw/zinc/56/80/93/455568093.db2.gz TUAADZAAJCEWKU-RBUKOAKNSA-N 2 2 337.552 3.268 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247279389 455583136 /nfs/dbraw/zinc/58/31/36/455583136.db2.gz DTBAFVXAXYMFBB-JKIFEVAISA-N 2 2 346.862 3.447 20 0 EGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247279389 455583140 /nfs/dbraw/zinc/58/31/40/455583140.db2.gz DTBAFVXAXYMFBB-JKIFEVAISA-N 2 2 346.862 3.447 20 0 EGADLP COCCOc1ccc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185675697 455593986 /nfs/dbraw/zinc/59/39/86/455593986.db2.gz KVTRGFBPJAQPNQ-DYESRHJHSA-N 2 2 342.483 3.493 20 0 EGADLP C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185677480 455594031 /nfs/dbraw/zinc/59/40/31/455594031.db2.gz IFKBEMVZEBKWGU-POAQFYNOSA-N 2 2 343.515 3.059 20 0 EGADLP C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185677480 455594033 /nfs/dbraw/zinc/59/40/33/455594033.db2.gz IFKBEMVZEBKWGU-POAQFYNOSA-N 2 2 343.515 3.059 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cn2c1 ZINC000185760374 455616493 /nfs/dbraw/zinc/61/64/93/455616493.db2.gz TVULASGFEOQCJN-SJORKVTESA-N 2 2 326.488 3.385 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cn2c1 ZINC000185760374 455616497 /nfs/dbraw/zinc/61/64/97/455616497.db2.gz TVULASGFEOQCJN-SJORKVTESA-N 2 2 326.488 3.385 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000247547450 455622315 /nfs/dbraw/zinc/62/23/15/455622315.db2.gz PPDHAFKQSXFJSV-OTWHNJEPSA-N 2 2 345.531 3.224 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000247547450 455622320 /nfs/dbraw/zinc/62/23/20/455622320.db2.gz PPDHAFKQSXFJSV-OTWHNJEPSA-N 2 2 345.531 3.224 20 0 EGADLP C[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044357 455627801 /nfs/dbraw/zinc/62/78/01/455627801.db2.gz JDNVHJKPLFHDGO-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044357 455627806 /nfs/dbraw/zinc/62/78/06/455627806.db2.gz JDNVHJKPLFHDGO-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044357 455627811 /nfs/dbraw/zinc/62/78/11/455627811.db2.gz JDNVHJKPLFHDGO-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP C[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCS1 ZINC000284044357 455627818 /nfs/dbraw/zinc/62/78/18/455627818.db2.gz JDNVHJKPLFHDGO-IEBWSBKVSA-N 2 2 334.529 3.105 20 0 EGADLP CC(C)OCCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284053257 455629527 /nfs/dbraw/zinc/62/95/27/455629527.db2.gz JQGYDPYNQPUVDQ-HXUWFJFHSA-N 2 2 334.504 3.024 20 0 EGADLP CC(C)OCCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284053257 455629531 /nfs/dbraw/zinc/62/95/31/455629531.db2.gz JQGYDPYNQPUVDQ-HXUWFJFHSA-N 2 2 334.504 3.024 20 0 EGADLP CC(C)OCCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284053257 455629534 /nfs/dbraw/zinc/62/95/34/455629534.db2.gz JQGYDPYNQPUVDQ-HXUWFJFHSA-N 2 2 334.504 3.024 20 0 EGADLP CC(C)OCCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284053257 455629536 /nfs/dbraw/zinc/62/95/36/455629536.db2.gz JQGYDPYNQPUVDQ-HXUWFJFHSA-N 2 2 334.504 3.024 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247642832 455632365 /nfs/dbraw/zinc/63/23/65/455632365.db2.gz TWQKOAKPIMAUFE-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247642832 455632369 /nfs/dbraw/zinc/63/23/69/455632369.db2.gz TWQKOAKPIMAUFE-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247642832 455632375 /nfs/dbraw/zinc/63/23/75/455632375.db2.gz TWQKOAKPIMAUFE-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247642832 455632381 /nfs/dbraw/zinc/63/23/81/455632381.db2.gz TWQKOAKPIMAUFE-ZWKOTPCHSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)n(C)n1 ZINC000284182324 455647969 /nfs/dbraw/zinc/64/79/69/455647969.db2.gz FVBQTIBBXAWWKT-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000247881313 455652676 /nfs/dbraw/zinc/65/26/76/455652676.db2.gz BUFCYVHPWYDHRV-IHRRRGAJSA-N 2 2 325.522 3.164 20 0 EGADLP CCn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000271496441 455660097 /nfs/dbraw/zinc/66/00/97/455660097.db2.gz MMVYUMSAVSQLPQ-UHFFFAOYSA-N 2 2 332.879 3.311 20 0 EGADLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H](C)C(C)(C)n1cncn1)c1ccccc1 ZINC000284317275 455668422 /nfs/dbraw/zinc/66/84/22/455668422.db2.gz ZQNYDIYRZKZQDO-HOTGVXAUSA-N 2 2 329.492 3.121 20 0 EGADLP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409030 455675012 /nfs/dbraw/zinc/67/50/12/455675012.db2.gz AICJXECDRPLUEO-SFHVURJKSA-N 2 2 331.504 3.438 20 0 EGADLP CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409030 455675014 /nfs/dbraw/zinc/67/50/14/455675014.db2.gz AICJXECDRPLUEO-SFHVURJKSA-N 2 2 331.504 3.438 20 0 EGADLP CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409030 455675022 /nfs/dbraw/zinc/67/50/22/455675022.db2.gz AICJXECDRPLUEO-SFHVURJKSA-N 2 2 331.504 3.438 20 0 EGADLP CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)Nc1c(C)cccc1C ZINC000268409030 455675028 /nfs/dbraw/zinc/67/50/28/455675028.db2.gz AICJXECDRPLUEO-SFHVURJKSA-N 2 2 331.504 3.438 20 0 EGADLP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000186117368 455696381 /nfs/dbraw/zinc/69/63/81/455696381.db2.gz FSVWHNAIUTXAOT-LBPRGKRZSA-N 2 2 328.441 3.497 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1nnc2ccccn21 ZINC000268732273 455711223 /nfs/dbraw/zinc/71/12/23/455711223.db2.gz MTNSAZXBXLISJV-JENIJYKNSA-N 2 2 349.482 3.433 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1nnc2ccccn21 ZINC000268732273 455711229 /nfs/dbraw/zinc/71/12/29/455711229.db2.gz MTNSAZXBXLISJV-JENIJYKNSA-N 2 2 349.482 3.433 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000268899556 455723781 /nfs/dbraw/zinc/72/37/81/455723781.db2.gz QQEQLKHBYPLXQS-QFBILLFUSA-N 2 2 325.456 3.090 20 0 EGADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000268899556 455723785 /nfs/dbraw/zinc/72/37/85/455723785.db2.gz QQEQLKHBYPLXQS-QFBILLFUSA-N 2 2 325.456 3.090 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000271708114 455728721 /nfs/dbraw/zinc/72/87/21/455728721.db2.gz AHFSKNPJQIYMSY-QGZVFWFLSA-N 2 2 348.512 3.231 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268941626 455738341 /nfs/dbraw/zinc/73/83/41/455738341.db2.gz VOOSWYISOMVXFX-HNNXBMFYSA-N 2 2 344.478 3.225 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1Cl ZINC000284949805 455766911 /nfs/dbraw/zinc/76/69/11/455766911.db2.gz BSNVLHOIGLODCP-HNSVSWJLSA-N 2 2 349.906 3.074 20 0 EGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1Cl ZINC000284949805 455766915 /nfs/dbraw/zinc/76/69/15/455766915.db2.gz BSNVLHOIGLODCP-HNSVSWJLSA-N 2 2 349.906 3.074 20 0 EGADLP CC(C)[N@H+](C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278167898 455775360 /nfs/dbraw/zinc/77/53/60/455775360.db2.gz PVUWZTGMMZAHOL-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP CC(C)[N@@H+](C)CC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278167898 455775364 /nfs/dbraw/zinc/77/53/64/455775364.db2.gz PVUWZTGMMZAHOL-UHFFFAOYSA-N 2 2 326.444 3.165 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081630 455786140 /nfs/dbraw/zinc/78/61/40/455786140.db2.gz ZRYZTWUAJWTVHC-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081630 455786147 /nfs/dbraw/zinc/78/61/47/455786147.db2.gz ZRYZTWUAJWTVHC-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081630 455786151 /nfs/dbraw/zinc/78/61/51/455786151.db2.gz ZRYZTWUAJWTVHC-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081630 455786157 /nfs/dbraw/zinc/78/61/57/455786157.db2.gz ZRYZTWUAJWTVHC-ICSRJNTNSA-N 2 2 325.456 3.470 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000271855326 455788433 /nfs/dbraw/zinc/78/84/33/455788433.db2.gz XEEOXGOXONIRKE-IBGZPJMESA-N 2 2 330.472 3.071 20 0 EGADLP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1Br ZINC000250781250 455788805 /nfs/dbraw/zinc/78/88/05/455788805.db2.gz IJVKLPGLHZUCBC-STQMWFEESA-N 2 2 327.241 3.305 20 0 EGADLP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1Br ZINC000250781250 455788811 /nfs/dbraw/zinc/78/88/11/455788811.db2.gz IJVKLPGLHZUCBC-STQMWFEESA-N 2 2 327.241 3.305 20 0 EGADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000194161685 455809212 /nfs/dbraw/zinc/80/92/12/455809212.db2.gz BMLFPFCVEQVDOD-UHFFFAOYSA-N 2 2 332.419 3.022 20 0 EGADLP C[C@@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC[NH2+]C1 ZINC000269368770 455844179 /nfs/dbraw/zinc/84/41/79/455844179.db2.gz XFEWBMCCCPBOMU-HXUWFJFHSA-N 2 2 338.455 3.215 20 0 EGADLP Cc1cnn(C)c1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000285486897 455855579 /nfs/dbraw/zinc/85/55/79/455855579.db2.gz OZWBLNZPWGXHMG-UHFFFAOYSA-N 2 2 332.879 3.136 20 0 EGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285616817 455882390 /nfs/dbraw/zinc/88/23/90/455882390.db2.gz JMADRJGKRHVYTM-VOBGVNJCSA-N 2 2 343.515 3.038 20 0 EGADLP Cc1cc(C)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285616817 455882394 /nfs/dbraw/zinc/88/23/94/455882394.db2.gz JMADRJGKRHVYTM-VOBGVNJCSA-N 2 2 343.515 3.038 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261566551 455908861 /nfs/dbraw/zinc/90/88/61/455908861.db2.gz IGZDINTZDMPBLC-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261566551 455908863 /nfs/dbraw/zinc/90/88/63/455908863.db2.gz IGZDINTZDMPBLC-MRCXROJRSA-N 2 2 329.669 3.272 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000261639089 455919010 /nfs/dbraw/zinc/91/90/10/455919010.db2.gz GAZDIGLXQWMKCS-FQEVSTJZSA-N 2 2 329.488 3.023 20 0 EGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000261639089 455919015 /nfs/dbraw/zinc/91/90/15/455919015.db2.gz GAZDIGLXQWMKCS-FQEVSTJZSA-N 2 2 329.488 3.023 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356430 455936390 /nfs/dbraw/zinc/93/63/90/455936390.db2.gz VOFJESAPZRLIQU-MLGOLLRUSA-N 2 2 331.287 3.300 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356430 455936395 /nfs/dbraw/zinc/93/63/95/455936395.db2.gz VOFJESAPZRLIQU-MLGOLLRUSA-N 2 2 331.287 3.300 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356430 455936397 /nfs/dbraw/zinc/93/63/97/455936397.db2.gz VOFJESAPZRLIQU-MLGOLLRUSA-N 2 2 331.287 3.300 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000270356430 455936400 /nfs/dbraw/zinc/93/64/00/455936400.db2.gz VOFJESAPZRLIQU-MLGOLLRUSA-N 2 2 331.287 3.300 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000261878578 455963263 /nfs/dbraw/zinc/96/32/63/455963263.db2.gz QMDULHHFUAGDTC-GDBMZVCRSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)s2)CC[N@H+]1Cc1ccccc1 ZINC000261878578 455963270 /nfs/dbraw/zinc/96/32/70/455963270.db2.gz QMDULHHFUAGDTC-GDBMZVCRSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878578 455963276 /nfs/dbraw/zinc/96/32/76/455963276.db2.gz QMDULHHFUAGDTC-GDBMZVCRSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878578 455963283 /nfs/dbraw/zinc/96/32/83/455963283.db2.gz QMDULHHFUAGDTC-GDBMZVCRSA-N 2 2 330.501 3.210 20 0 EGADLP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000261900070 455968498 /nfs/dbraw/zinc/96/84/98/455968498.db2.gz YTSBKWKBMVSQDB-AWEZNQCLSA-N 2 2 326.444 3.091 20 0 EGADLP CCCCn1c(SCc2cc[nH+]c(N)c2)nnc1[C@@H](CC)[NH+](C)C ZINC000195499883 455968928 /nfs/dbraw/zinc/96/89/28/455968928.db2.gz KJZHQGJWIRAXDD-CQSZACIVSA-N 2 2 348.520 3.360 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280424848 455969149 /nfs/dbraw/zinc/96/91/49/455969149.db2.gz ZHVHEZZJNCUJCM-HNNXBMFYSA-N 2 2 347.894 3.084 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280424848 455969151 /nfs/dbraw/zinc/96/91/51/455969151.db2.gz ZHVHEZZJNCUJCM-HNNXBMFYSA-N 2 2 347.894 3.084 20 0 EGADLP Nc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907109 455969463 /nfs/dbraw/zinc/96/94/63/455969463.db2.gz XJEFLJRFEFEHEJ-WMZOPIPTSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000261907109 455969466 /nfs/dbraw/zinc/96/94/66/455969466.db2.gz XJEFLJRFEFEHEJ-WMZOPIPTSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000261907109 455969469 /nfs/dbraw/zinc/96/94/69/455969469.db2.gz XJEFLJRFEFEHEJ-WMZOPIPTSA-N 2 2 342.512 3.212 20 0 EGADLP Nc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000261907109 455969472 /nfs/dbraw/zinc/96/94/72/455969472.db2.gz XJEFLJRFEFEHEJ-WMZOPIPTSA-N 2 2 342.512 3.212 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@H](O)c1cccc(F)c1 ZINC000272504699 455973857 /nfs/dbraw/zinc/97/38/57/455973857.db2.gz FDCGROBPYMOALE-WBMJQRKESA-N 2 2 348.384 3.254 20 0 EGADLP CCn1ccnc1C[N@H+](Cc1cccc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262074461 455993320 /nfs/dbraw/zinc/99/33/20/455993320.db2.gz DDBLXSJHRKFBSB-GOSISDBHSA-N 2 2 342.462 3.186 20 0 EGADLP CCn1ccnc1C[N@@H+](Cc1cccc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262074461 455993326 /nfs/dbraw/zinc/99/33/26/455993326.db2.gz DDBLXSJHRKFBSB-GOSISDBHSA-N 2 2 342.462 3.186 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc3c(c2)CCO3)CC1 ZINC000272616159 456014830 /nfs/dbraw/zinc/01/48/30/456014830.db2.gz XFMBTMBOUSVYIV-UHFFFAOYSA-N 2 2 342.405 3.170 20 0 EGADLP COc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000286294582 456018244 /nfs/dbraw/zinc/01/82/44/456018244.db2.gz GDOJPFYQZCWYIV-KRWDZBQOSA-N 2 2 330.472 3.076 20 0 EGADLP COc1ccc(C(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000286294582 456018248 /nfs/dbraw/zinc/01/82/48/456018248.db2.gz GDOJPFYQZCWYIV-KRWDZBQOSA-N 2 2 330.472 3.076 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1 ZINC000272626490 456018602 /nfs/dbraw/zinc/01/86/02/456018602.db2.gz ZLNFEBGBSHZXAO-AWEZNQCLSA-N 2 2 330.394 3.460 20 0 EGADLP c1csc(N2CCC([NH2+]CCCc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000272647406 456025969 /nfs/dbraw/zinc/02/59/69/456025969.db2.gz DJFCIRHFRGWTHG-UHFFFAOYSA-N 2 2 341.484 3.211 20 0 EGADLP C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)C(C)(C)C[NH+](C)C ZINC000301543656 456141911 /nfs/dbraw/zinc/14/19/11/456141911.db2.gz DFPDOYLTRCKLQZ-AWEZNQCLSA-N 2 2 338.459 3.204 20 0 EGADLP CC[NH+]1CCN(Cc2ccc(CNc3cc[nH+]cc3Cl)cc2)CC1 ZINC000301546587 456143017 /nfs/dbraw/zinc/14/30/17/456143017.db2.gz WYAZSSTXGZTFBE-UHFFFAOYSA-N 2 2 344.890 3.485 20 0 EGADLP CCN1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3Cl)cc2)CC1 ZINC000301546587 456143021 /nfs/dbraw/zinc/14/30/21/456143021.db2.gz WYAZSSTXGZTFBE-UHFFFAOYSA-N 2 2 344.890 3.485 20 0 EGADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289863397 456159397 /nfs/dbraw/zinc/15/93/97/456159397.db2.gz LEEFMVABGUNLHQ-FQEVSTJZSA-N 2 2 337.423 3.090 20 0 EGADLP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000271189312 456163556 /nfs/dbraw/zinc/16/35/56/456163556.db2.gz LRJWNPJKFVDHQZ-UHFFFAOYSA-N 2 2 329.835 3.260 20 0 EGADLP CC(=O)Nc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000289890329 456170211 /nfs/dbraw/zinc/17/02/11/456170211.db2.gz SVQNZVPKBRMCBP-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)cc1 ZINC000289890329 456170217 /nfs/dbraw/zinc/17/02/17/456170217.db2.gz SVQNZVPKBRMCBP-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000289890329 456170222 /nfs/dbraw/zinc/17/02/22/456170222.db2.gz SVQNZVPKBRMCBP-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP CC(=O)Nc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1 ZINC000289890329 456170227 /nfs/dbraw/zinc/17/02/27/456170227.db2.gz SVQNZVPKBRMCBP-UHFFFAOYSA-N 2 2 329.444 3.192 20 0 EGADLP C[C@H]([NH2+]Cc1ncccc1N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289966740 456198708 /nfs/dbraw/zinc/19/87/08/456198708.db2.gz XEQFXEKMJMDEPC-HKUYNNGSSA-N 2 2 338.499 3.148 20 0 EGADLP C[C@H]([NH2+]Cc1ncccc1N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289966740 456198710 /nfs/dbraw/zinc/19/87/10/456198710.db2.gz XEQFXEKMJMDEPC-HKUYNNGSSA-N 2 2 338.499 3.148 20 0 EGADLP Cc1cn2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2[nH+]1 ZINC000620649041 460720313 /nfs/dbraw/zinc/72/03/13/460720313.db2.gz QHCXTPUAVJTCLU-UHFFFAOYSA-N 2 2 334.423 3.491 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000297513831 456239504 /nfs/dbraw/zinc/23/95/04/456239504.db2.gz CSFFMGWTAKCZHC-IEBWSBKVSA-N 2 2 326.488 3.118 20 0 EGADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000297513831 456239508 /nfs/dbraw/zinc/23/95/08/456239508.db2.gz CSFFMGWTAKCZHC-IEBWSBKVSA-N 2 2 326.488 3.118 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000290155147 456254336 /nfs/dbraw/zinc/25/43/36/456254336.db2.gz XAVPHBCDOVSGBL-MRXNPFEDSA-N 2 2 339.361 3.055 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000290155147 456254340 /nfs/dbraw/zinc/25/43/40/456254340.db2.gz XAVPHBCDOVSGBL-MRXNPFEDSA-N 2 2 339.361 3.055 20 0 EGADLP C[N@H+](CCO)Cc1cc(NCc2cccc3[nH+]ccn32)ccc1Cl ZINC000290179734 456259924 /nfs/dbraw/zinc/25/99/24/456259924.db2.gz RSFCKPZSWLDHCY-UHFFFAOYSA-N 2 2 344.846 3.024 20 0 EGADLP C[N@@H+](CCO)Cc1cc(NCc2cccc3[nH+]ccn32)ccc1Cl ZINC000290179734 456259928 /nfs/dbraw/zinc/25/99/28/456259928.db2.gz RSFCKPZSWLDHCY-UHFFFAOYSA-N 2 2 344.846 3.024 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302030838 456272608 /nfs/dbraw/zinc/27/26/08/456272608.db2.gz BXAYECCHDYZKMB-SFHVURJKSA-N 2 2 340.471 3.087 20 0 EGADLP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302030838 456272611 /nfs/dbraw/zinc/27/26/11/456272611.db2.gz BXAYECCHDYZKMB-SFHVURJKSA-N 2 2 340.471 3.087 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000302063198 456278188 /nfs/dbraw/zinc/27/81/88/456278188.db2.gz USNWVNTZTRQNKM-YJBOKZPZSA-N 2 2 346.519 3.213 20 0 EGADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000302063198 456278190 /nfs/dbraw/zinc/27/81/90/456278190.db2.gz USNWVNTZTRQNKM-YJBOKZPZSA-N 2 2 346.519 3.213 20 0 EGADLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(F)cc2)nc(C2CC2)[nH+]1 ZINC000347651240 456281097 /nfs/dbraw/zinc/28/10/97/456281097.db2.gz RCULAYUKEAEANG-UHFFFAOYSA-N 2 2 328.435 3.370 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000290304356 456285465 /nfs/dbraw/zinc/28/54/65/456285465.db2.gz BOVPQRKISBEFJL-UHFFFAOYSA-N 2 2 336.439 3.476 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290304356 456285474 /nfs/dbraw/zinc/28/54/74/456285474.db2.gz BOVPQRKISBEFJL-UHFFFAOYSA-N 2 2 336.439 3.476 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCC12CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000340173123 456288146 /nfs/dbraw/zinc/28/81/46/456288146.db2.gz OMBZREWPMVWPFE-WOJBJXKFSA-N 2 2 328.500 3.108 20 0 EGADLP O[C@H](C[NH2+][C@@H]1CCCC12CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000340173123 456288152 /nfs/dbraw/zinc/28/81/52/456288152.db2.gz OMBZREWPMVWPFE-WOJBJXKFSA-N 2 2 328.500 3.108 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn3ccsc3n2)C[C@@H]1c1ccccc1 ZINC000340201618 456310916 /nfs/dbraw/zinc/31/09/16/456310916.db2.gz UVVHPXXMSNBTOD-NVXWUHKLSA-N 2 2 326.469 3.321 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn3ccsc3n2)C[C@@H]1c1ccccc1 ZINC000340201618 456310919 /nfs/dbraw/zinc/31/09/19/456310919.db2.gz UVVHPXXMSNBTOD-NVXWUHKLSA-N 2 2 326.469 3.321 20 0 EGADLP CSc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000352793519 456314828 /nfs/dbraw/zinc/31/48/28/456314828.db2.gz FSUJDOJOUSZMDE-SFHVURJKSA-N 2 2 348.537 3.197 20 0 EGADLP CSc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000352793519 456314833 /nfs/dbraw/zinc/31/48/33/456314833.db2.gz FSUJDOJOUSZMDE-SFHVURJKSA-N 2 2 348.537 3.197 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340256676 456345015 /nfs/dbraw/zinc/34/50/15/456345015.db2.gz QFNSJIJTBZJTLI-SQNIBIBYSA-N 2 2 339.487 3.101 20 0 EGADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340256676 456345025 /nfs/dbraw/zinc/34/50/25/456345025.db2.gz QFNSJIJTBZJTLI-SQNIBIBYSA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255137 456345370 /nfs/dbraw/zinc/34/53/70/456345370.db2.gz UQWTYVLDAZNIEG-CGTJXYLNSA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255137 456345377 /nfs/dbraw/zinc/34/53/77/456345377.db2.gz UQWTYVLDAZNIEG-CGTJXYLNSA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255140 456345488 /nfs/dbraw/zinc/34/54/88/456345488.db2.gz UQWTYVLDAZNIEG-SZMVWBNQSA-N 2 2 339.487 3.101 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1nnc2n1CCCC2 ZINC000340255140 456345491 /nfs/dbraw/zinc/34/54/91/456345491.db2.gz UQWTYVLDAZNIEG-SZMVWBNQSA-N 2 2 339.487 3.101 20 0 EGADLP CC(C)OC[C@H](C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000337332015 456347096 /nfs/dbraw/zinc/34/70/96/456347096.db2.gz HWRIUVYWLCAENI-ROUUACIJSA-N 2 2 334.504 3.290 20 0 EGADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000340268921 456352041 /nfs/dbraw/zinc/35/20/41/456352041.db2.gz WHFXXJQVYCBJHD-TYPHKJRUSA-N 2 2 349.478 3.217 20 0 EGADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1c1ccccc1 ZINC000340268921 456352045 /nfs/dbraw/zinc/35/20/45/456352045.db2.gz WHFXXJQVYCBJHD-TYPHKJRUSA-N 2 2 349.478 3.217 20 0 EGADLP COc1cccc2c(N[C@H](C)[C@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000302610389 456364647 /nfs/dbraw/zinc/36/46/47/456364647.db2.gz DUUUKHLAOVLRHG-CABCVRRESA-N 2 2 329.444 3.073 20 0 EGADLP CCC(CC)[N@H+](CCOC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000343050682 456372349 /nfs/dbraw/zinc/37/23/49/456372349.db2.gz YMHVQVPOLUEDDP-SFHVURJKSA-N 2 2 347.503 3.151 20 0 EGADLP CCC(CC)[N@@H+](CCOC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000343050682 456372357 /nfs/dbraw/zinc/37/23/57/456372357.db2.gz YMHVQVPOLUEDDP-SFHVURJKSA-N 2 2 347.503 3.151 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000347804779 456377873 /nfs/dbraw/zinc/37/78/73/456377873.db2.gz GRQRGRYXNFXFTQ-CQSZACIVSA-N 2 2 325.412 3.004 20 0 EGADLP CC(C)c1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc(C(C)(C)C)[nH+]1 ZINC000302744922 456390189 /nfs/dbraw/zinc/39/01/89/456390189.db2.gz FEIBJXVFCHUGRJ-MRXNPFEDSA-N 2 2 346.519 3.056 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000302769307 456395110 /nfs/dbraw/zinc/39/51/10/456395110.db2.gz BLXAADIZQWQTMJ-QGZVFWFLSA-N 2 2 336.439 3.266 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000302769307 456395117 /nfs/dbraw/zinc/39/51/17/456395117.db2.gz BLXAADIZQWQTMJ-QGZVFWFLSA-N 2 2 336.439 3.266 20 0 EGADLP Fc1ccc(Br)c(F)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000282098982 456412658 /nfs/dbraw/zinc/41/26/58/456412658.db2.gz SLDJUDZSRVXYTA-UHFFFAOYSA-N 2 2 330.176 3.104 20 0 EGADLP C[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000302883107 456425807 /nfs/dbraw/zinc/42/58/07/456425807.db2.gz JHCXQSXURGVAKZ-INIZCTEOSA-N 2 2 325.460 3.009 20 0 EGADLP C[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000302883107 456425815 /nfs/dbraw/zinc/42/58/15/456425815.db2.gz JHCXQSXURGVAKZ-INIZCTEOSA-N 2 2 325.460 3.009 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340386590 456431136 /nfs/dbraw/zinc/43/11/36/456431136.db2.gz DLMVNUSNVZGQPH-XLIONFOSSA-N 2 2 339.483 3.275 20 0 EGADLP COc1ncccc1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340386590 456431139 /nfs/dbraw/zinc/43/11/39/456431139.db2.gz DLMVNUSNVZGQPH-XLIONFOSSA-N 2 2 339.483 3.275 20 0 EGADLP C[NH+](C)[C@H](CNc1cc(N2CCCC2)[nH+]cn1)c1c(F)cccc1F ZINC000302918142 456436449 /nfs/dbraw/zinc/43/64/49/456436449.db2.gz XMBPANKRVLGKIG-OAHLLOKOSA-N 2 2 347.413 3.070 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266433 456460606 /nfs/dbraw/zinc/46/06/06/456460606.db2.gz AFWMMOWSBXCPOH-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cnn(C)c1 ZINC000282266433 456460611 /nfs/dbraw/zinc/46/06/11/456460611.db2.gz AFWMMOWSBXCPOH-QFBILLFUSA-N 2 2 326.488 3.371 20 0 EGADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)CC1CCCCC1 ZINC000353087386 456481430 /nfs/dbraw/zinc/48/14/30/456481430.db2.gz KJVOGYKEDPUKFT-OHSMVPPVSA-N 2 2 349.563 3.266 20 0 EGADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)CC1CCCCC1 ZINC000353087386 456481434 /nfs/dbraw/zinc/48/14/34/456481434.db2.gz KJVOGYKEDPUKFT-OHSMVPPVSA-N 2 2 349.563 3.266 20 0 EGADLP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000348101976 456481757 /nfs/dbraw/zinc/48/17/57/456481757.db2.gz KBDSKYITOSTXAF-JKSUJKDBSA-N 2 2 339.361 3.131 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508445 456500228 /nfs/dbraw/zinc/50/02/28/456500228.db2.gz ZASATFCOPFQKFX-BFUOFWGJSA-N 2 2 349.400 3.499 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508445 456500230 /nfs/dbraw/zinc/50/02/30/456500230.db2.gz ZASATFCOPFQKFX-BFUOFWGJSA-N 2 2 349.400 3.499 20 0 EGADLP C[C@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000298613069 456500797 /nfs/dbraw/zinc/50/07/97/456500797.db2.gz OJFQIIMFZZLPFW-KYHPRHEASA-N 2 2 340.471 3.219 20 0 EGADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccsc1 ZINC000291104250 456528944 /nfs/dbraw/zinc/52/89/44/456528944.db2.gz RVBCYPMHQYMBFA-HNNXBMFYSA-N 2 2 349.466 3.357 20 0 EGADLP OCC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000305817453 456562121 /nfs/dbraw/zinc/56/21/21/456562121.db2.gz ALYAXAGZKNUXMO-INIZCTEOSA-N 2 2 336.442 3.324 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC(F)(F)F ZINC000348305831 456609179 /nfs/dbraw/zinc/60/91/79/456609179.db2.gz APURUGRZDZXOKM-LSDHHAIUSA-N 2 2 346.441 3.436 20 0 EGADLP Cn1cc(CC[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348305335 456610584 /nfs/dbraw/zinc/61/05/84/456610584.db2.gz WDHYSMUUDRYLAN-HXUWFJFHSA-N 2 2 340.515 3.025 20 0 EGADLP Cn1cc(CC[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000348305335 456610590 /nfs/dbraw/zinc/61/05/90/456610590.db2.gz WDHYSMUUDRYLAN-HXUWFJFHSA-N 2 2 340.515 3.025 20 0 EGADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000348315087 456617999 /nfs/dbraw/zinc/61/79/99/456617999.db2.gz CCCUJMBULCLEFW-JLTOFOAXSA-N 2 2 341.430 3.297 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000348318218 456619391 /nfs/dbraw/zinc/61/93/91/456619391.db2.gz FMCNKKLCONIDIG-CZAAIQMYSA-N 2 2 345.531 3.149 20 0 EGADLP CC(C)Oc1ccc([C@H](CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)[NH+](C)C)cc1 ZINC000348318218 456619396 /nfs/dbraw/zinc/61/93/96/456619396.db2.gz FMCNKKLCONIDIG-CZAAIQMYSA-N 2 2 345.531 3.149 20 0 EGADLP COCC[C@@H]1CCC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000282777089 456622389 /nfs/dbraw/zinc/62/23/89/456622389.db2.gz PHSOORSUSJXGKD-QFBILLFUSA-N 2 2 346.519 3.229 20 0 EGADLP CC(C)Cn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282863868 456649438 /nfs/dbraw/zinc/64/94/38/456649438.db2.gz XLRGSMQTLHRYBY-SFHVURJKSA-N 2 2 341.503 3.452 20 0 EGADLP CC(C)Cn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282863868 456649442 /nfs/dbraw/zinc/64/94/42/456649442.db2.gz XLRGSMQTLHRYBY-SFHVURJKSA-N 2 2 341.503 3.452 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(COC)n1 ZINC000348389001 456661720 /nfs/dbraw/zinc/66/17/20/456661720.db2.gz PZYMDJQFEURXTF-GDBMZVCRSA-N 2 2 325.522 3.280 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2F)CC1 ZINC000343512323 456672822 /nfs/dbraw/zinc/67/28/22/456672822.db2.gz UOKUDNWMQWWTEN-HNNXBMFYSA-N 2 2 328.859 3.365 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000348414776 456674562 /nfs/dbraw/zinc/67/45/62/456674562.db2.gz QAVYPOAGEYHXKR-WOJBJXKFSA-N 2 2 328.431 3.218 20 0 EGADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338172445 456682472 /nfs/dbraw/zinc/68/24/72/456682472.db2.gz CKTHASGPQCOPLH-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338172445 456682478 /nfs/dbraw/zinc/68/24/78/456682478.db2.gz CKTHASGPQCOPLH-INIZCTEOSA-N 2 2 339.439 3.288 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000353426294 456692762 /nfs/dbraw/zinc/69/27/62/456692762.db2.gz IZDUDVUSYDFNCM-KXBFYZLASA-N 2 2 340.471 3.335 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000283201976 456735508 /nfs/dbraw/zinc/73/55/08/456735508.db2.gz LIOZYBWPEVWREC-WCIQWLHISA-N 2 2 342.483 3.385 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000283201976 456735512 /nfs/dbraw/zinc/73/55/12/456735512.db2.gz LIOZYBWPEVWREC-WCIQWLHISA-N 2 2 342.483 3.385 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277230719 456735807 /nfs/dbraw/zinc/73/58/07/456735807.db2.gz YTKSHDRMJJYJQM-ICSRJNTNSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277230719 456735810 /nfs/dbraw/zinc/73/58/10/456735810.db2.gz YTKSHDRMJJYJQM-ICSRJNTNSA-N 2 2 339.483 3.332 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc2c1OCCO2 ZINC000353555907 456758202 /nfs/dbraw/zinc/75/82/02/456758202.db2.gz PJUUNBUMVFRBMP-UHFFFAOYSA-N 2 2 330.428 3.005 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc2c1OCCO2 ZINC000353555907 456758204 /nfs/dbraw/zinc/75/82/04/456758204.db2.gz PJUUNBUMVFRBMP-UHFFFAOYSA-N 2 2 330.428 3.005 20 0 EGADLP C[NH+](CCC[N@H+](C)Cc1cccc2c1OCCO2)Cc1ccco1 ZINC000353555907 456758208 /nfs/dbraw/zinc/75/82/08/456758208.db2.gz PJUUNBUMVFRBMP-UHFFFAOYSA-N 2 2 330.428 3.005 20 0 EGADLP C[NH+](CCC[N@@H+](C)Cc1cccc2c1OCCO2)Cc1ccco1 ZINC000353555907 456758211 /nfs/dbraw/zinc/75/82/11/456758211.db2.gz PJUUNBUMVFRBMP-UHFFFAOYSA-N 2 2 330.428 3.005 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277286000 456760255 /nfs/dbraw/zinc/76/02/55/456760255.db2.gz SQRLDMRENMMRPP-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277286000 456760259 /nfs/dbraw/zinc/76/02/59/456760259.db2.gz SQRLDMRENMMRPP-ZBFHGGJFSA-N 2 2 335.517 3.152 20 0 EGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745238 456770815 /nfs/dbraw/zinc/77/08/15/456770815.db2.gz RZAODEBTLRCXQI-VQIMIIECSA-N 2 2 347.478 3.127 20 0 EGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745238 456770821 /nfs/dbraw/zinc/77/08/21/456770821.db2.gz RZAODEBTLRCXQI-VQIMIIECSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745238 456770826 /nfs/dbraw/zinc/77/08/26/456770826.db2.gz RZAODEBTLRCXQI-VQIMIIECSA-N 2 2 347.478 3.127 20 0 EGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343745238 456770831 /nfs/dbraw/zinc/77/08/31/456770831.db2.gz RZAODEBTLRCXQI-VQIMIIECSA-N 2 2 347.478 3.127 20 0 EGADLP CC1CCC(N(C)C(=O)C[N@@H+](C)CCC[NH+](C)Cc2ccco2)CC1 ZINC000353571924 456771412 /nfs/dbraw/zinc/77/14/12/456771412.db2.gz JBPUNNBVLYQQML-UHFFFAOYSA-N 2 2 349.519 3.070 20 0 EGADLP CC1CCC(N(C)C(=O)C[NH+](C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000353571924 456771417 /nfs/dbraw/zinc/77/14/17/456771417.db2.gz JBPUNNBVLYQQML-UHFFFAOYSA-N 2 2 349.519 3.070 20 0 EGADLP CC1CCC(N(C)C(=O)C[NH+](C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000353571924 456771422 /nfs/dbraw/zinc/77/14/22/456771422.db2.gz JBPUNNBVLYQQML-UHFFFAOYSA-N 2 2 349.519 3.070 20 0 EGADLP Cc1ccn2c(CN3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c[nH+]c2c1 ZINC000353572004 456771665 /nfs/dbraw/zinc/77/16/65/456771665.db2.gz ZMRVRRBZIVLLJB-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP Cc1ccn2c(CN3CC[N@H+](Cc4ccccc4)C[C@H]3C)c[nH+]c2c1 ZINC000353572004 456771669 /nfs/dbraw/zinc/77/16/69/456771669.db2.gz ZMRVRRBZIVLLJB-GOSISDBHSA-N 2 2 334.467 3.349 20 0 EGADLP CCOC(=O)c1coc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000353645813 456826704 /nfs/dbraw/zinc/82/67/04/456826704.db2.gz CJLCKJRHWOMNIX-OAHLLOKOSA-N 2 2 331.416 3.052 20 0 EGADLP CCOC(=O)c1coc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000353645813 456826710 /nfs/dbraw/zinc/82/67/10/456826710.db2.gz CJLCKJRHWOMNIX-OAHLLOKOSA-N 2 2 331.416 3.052 20 0 EGADLP C[C@H]1[NH2+]CCN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)[C@@H]1C ZINC000277445677 456828182 /nfs/dbraw/zinc/82/81/82/456828182.db2.gz FSMRBTOREQWTOG-CHWSQXEVSA-N 2 2 345.830 3.350 20 0 EGADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000353655675 456834157 /nfs/dbraw/zinc/83/41/57/456834157.db2.gz YTHGAYRUHJXYJI-GOSISDBHSA-N 2 2 331.504 3.197 20 0 EGADLP Cc1ccc(CCC[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c[nH+]1 ZINC000353655675 456834160 /nfs/dbraw/zinc/83/41/60/456834160.db2.gz YTHGAYRUHJXYJI-GOSISDBHSA-N 2 2 331.504 3.197 20 0 EGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)C[C@@H](C)C1 ZINC000344825112 456864337 /nfs/dbraw/zinc/86/43/37/456864337.db2.gz JPENIEVAYIRNNM-YDSHKVQMSA-N 2 2 344.503 3.029 20 0 EGADLP c1cn(Cc2ccc(NC3CCN(c4ccccc4)CC3)[nH+]c2)c[nH+]1 ZINC000348837619 456879189 /nfs/dbraw/zinc/87/91/89/456879189.db2.gz IVWJXWFLCMFNCR-UHFFFAOYSA-N 2 2 333.439 3.407 20 0 EGADLP Brc1c[nH+]ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000341741355 456923814 /nfs/dbraw/zinc/92/38/14/456923814.db2.gz GAKJSTBKGWDPHT-UHFFFAOYSA-N 2 2 343.228 3.123 20 0 EGADLP C[S@](=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000349406368 456963326 /nfs/dbraw/zinc/96/33/26/456963326.db2.gz LBJYVDNKEWRSPM-DEOSSOPVSA-N 2 2 345.512 3.313 20 0 EGADLP CCN(CC)C(=O)C1([NH2+]CCCc2ccc(C)[nH+]c2)CCCCC1 ZINC000353930729 456970083 /nfs/dbraw/zinc/97/00/83/456970083.db2.gz HYHMFOFBPZDZSC-UHFFFAOYSA-N 2 2 331.504 3.484 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353945826 456974735 /nfs/dbraw/zinc/97/47/35/456974735.db2.gz SDTSQOKPUBBCBY-OBXNSHGQSA-N 2 2 344.499 3.363 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353945826 456974739 /nfs/dbraw/zinc/97/47/39/456974739.db2.gz SDTSQOKPUBBCBY-OBXNSHGQSA-N 2 2 344.499 3.363 20 0 EGADLP CCc1nocc1C[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000339177755 456977988 /nfs/dbraw/zinc/97/79/88/456977988.db2.gz DJWTUPYVKNTQDG-HXUWFJFHSA-N 2 2 327.472 3.410 20 0 EGADLP CCc1nocc1C[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000339177755 456977991 /nfs/dbraw/zinc/97/79/91/456977991.db2.gz DJWTUPYVKNTQDG-HXUWFJFHSA-N 2 2 327.472 3.410 20 0 EGADLP Cn1cc[nH+]c1CN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000353971726 456984268 /nfs/dbraw/zinc/98/42/68/456984268.db2.gz GSJXEGVWBDCHTK-UHFFFAOYSA-N 2 2 338.499 3.441 20 0 EGADLP Cn1cc[nH+]c1CN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000353971726 456984271 /nfs/dbraw/zinc/98/42/71/456984271.db2.gz GSJXEGVWBDCHTK-UHFFFAOYSA-N 2 2 338.499 3.441 20 0 EGADLP CC[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000339259680 457024012 /nfs/dbraw/zinc/02/40/12/457024012.db2.gz PCTYSWSAVFWFNQ-GOSISDBHSA-N 2 2 340.471 3.026 20 0 EGADLP CC[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339259680 457024019 /nfs/dbraw/zinc/02/40/19/457024019.db2.gz PCTYSWSAVFWFNQ-GOSISDBHSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1[nH]c(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c[nH+]1 ZINC000339283979 457040782 /nfs/dbraw/zinc/04/07/82/457040782.db2.gz MMYULYHDALLZSF-AWEZNQCLSA-N 2 2 326.444 3.112 20 0 EGADLP c1cn(-c2csc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000356535229 457041552 /nfs/dbraw/zinc/04/15/52/457041552.db2.gz XBQIBAIRVFQBQC-SJORKVTESA-N 2 2 329.469 3.467 20 0 EGADLP c1cn(-c2csc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c2)c[nH+]1 ZINC000356535229 457041556 /nfs/dbraw/zinc/04/15/56/457041556.db2.gz XBQIBAIRVFQBQC-SJORKVTESA-N 2 2 329.469 3.467 20 0 EGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087918 457054311 /nfs/dbraw/zinc/05/43/11/457054311.db2.gz HZHMPOGVQZXTKI-NVXWUHKLSA-N 2 2 335.517 3.158 20 0 EGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087918 457054314 /nfs/dbraw/zinc/05/43/14/457054314.db2.gz HZHMPOGVQZXTKI-NVXWUHKLSA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087918 457054318 /nfs/dbraw/zinc/05/43/18/457054318.db2.gz HZHMPOGVQZXTKI-NVXWUHKLSA-N 2 2 335.517 3.158 20 0 EGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000354087918 457054321 /nfs/dbraw/zinc/05/43/21/457054321.db2.gz HZHMPOGVQZXTKI-NVXWUHKLSA-N 2 2 335.517 3.158 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571812 457062819 /nfs/dbraw/zinc/06/28/19/457062819.db2.gz FMJIWLYLRDSPFC-MOPGFXCFSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571812 457062824 /nfs/dbraw/zinc/06/28/24/457062824.db2.gz FMJIWLYLRDSPFC-MOPGFXCFSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571812 457062830 /nfs/dbraw/zinc/06/28/30/457062830.db2.gz FMJIWLYLRDSPFC-MOPGFXCFSA-N 2 2 343.515 3.236 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(C)c2ccccc2)C1 ZINC000356571812 457062835 /nfs/dbraw/zinc/06/28/35/457062835.db2.gz FMJIWLYLRDSPFC-MOPGFXCFSA-N 2 2 343.515 3.236 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354121533 457077873 /nfs/dbraw/zinc/07/78/73/457077873.db2.gz STPJBZQIMJVKTC-WBVHZDCISA-N 2 2 335.517 3.302 20 0 EGADLP c1nc([C@@H]2CCCO2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354121533 457077875 /nfs/dbraw/zinc/07/78/75/457077875.db2.gz STPJBZQIMJVKTC-WBVHZDCISA-N 2 2 335.517 3.302 20 0 EGADLP Clc1ccc2[nH+]cc(CNc3cc[nH+]cc3Br)n2c1 ZINC000362801172 457099790 /nfs/dbraw/zinc/09/97/90/457099790.db2.gz LHSUMXOQSDBNBZ-UHFFFAOYSA-N 2 2 337.608 3.179 20 0 EGADLP COc1ccc(CC[NH2+]Cc2cccc3[nH+]ccn32)c(Cl)c1OC ZINC000339431912 457114407 /nfs/dbraw/zinc/11/44/07/457114407.db2.gz FHJAJDXBIZFJJJ-UHFFFAOYSA-N 2 2 345.830 3.337 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CN1Cc1ccccc1 ZINC000346701182 457118714 /nfs/dbraw/zinc/11/87/14/457118714.db2.gz RGIATWGGPZPMLF-FXAWDEMLSA-N 2 2 327.516 3.256 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204327 457128886 /nfs/dbraw/zinc/12/88/86/457128886.db2.gz FCWHJRCHBGSVRJ-NIAPBTPMSA-N 2 2 349.563 3.361 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204327 457128891 /nfs/dbraw/zinc/12/88/91/457128891.db2.gz FCWHJRCHBGSVRJ-NIAPBTPMSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204327 457128894 /nfs/dbraw/zinc/12/88/94/457128894.db2.gz FCWHJRCHBGSVRJ-NIAPBTPMSA-N 2 2 349.563 3.361 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@@H]1C ZINC000354204327 457128897 /nfs/dbraw/zinc/12/88/97/457128897.db2.gz FCWHJRCHBGSVRJ-NIAPBTPMSA-N 2 2 349.563 3.361 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203308 457129140 /nfs/dbraw/zinc/12/91/40/457129140.db2.gz AZCYKRUMCGFEJL-QUCCMNQESA-N 2 2 345.531 3.228 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203308 457129146 /nfs/dbraw/zinc/12/91/46/457129146.db2.gz AZCYKRUMCGFEJL-QUCCMNQESA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203308 457129152 /nfs/dbraw/zinc/12/91/52/457129152.db2.gz AZCYKRUMCGFEJL-QUCCMNQESA-N 2 2 345.531 3.228 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C(C)C)C[C@H]1C ZINC000354203308 457129158 /nfs/dbraw/zinc/12/91/58/457129158.db2.gz AZCYKRUMCGFEJL-QUCCMNQESA-N 2 2 345.531 3.228 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)s1 ZINC000339525158 457134471 /nfs/dbraw/zinc/13/44/71/457134471.db2.gz QQIUAOQJDOVPJC-UHFFFAOYSA-N 2 2 345.390 3.235 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218314 457137341 /nfs/dbraw/zinc/13/73/41/457137341.db2.gz AXRQFLKMHRPWRU-FXAWDEMLSA-N 2 2 345.531 3.377 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218314 457137344 /nfs/dbraw/zinc/13/73/44/457137344.db2.gz AXRQFLKMHRPWRU-FXAWDEMLSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218314 457137352 /nfs/dbraw/zinc/13/73/52/457137352.db2.gz AXRQFLKMHRPWRU-FXAWDEMLSA-N 2 2 345.531 3.377 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)NCC(C)C)c2)C[C@@H]1C ZINC000354218314 457137357 /nfs/dbraw/zinc/13/73/57/457137357.db2.gz AXRQFLKMHRPWRU-FXAWDEMLSA-N 2 2 345.531 3.377 20 0 EGADLP COC(=O)[C@@]12C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]1CCCC2 ZINC000342166594 457145632 /nfs/dbraw/zinc/14/56/32/457145632.db2.gz ZMXAMBNELPKTDL-PXNSSMCTSA-N 2 2 339.439 3.038 20 0 EGADLP COC(=O)[C@@]12C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]1CCCC2 ZINC000342166594 457145636 /nfs/dbraw/zinc/14/56/36/457145636.db2.gz ZMXAMBNELPKTDL-PXNSSMCTSA-N 2 2 339.439 3.038 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)nn1 ZINC000342166912 457146068 /nfs/dbraw/zinc/14/60/68/457146068.db2.gz NELCAFPVKRQTMZ-SFHVURJKSA-N 2 2 341.503 3.033 20 0 EGADLP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)nn1 ZINC000342166912 457146075 /nfs/dbraw/zinc/14/60/75/457146075.db2.gz NELCAFPVKRQTMZ-SFHVURJKSA-N 2 2 341.503 3.033 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000346783835 457168372 /nfs/dbraw/zinc/16/83/72/457168372.db2.gz AIIFJHHKDOFJKY-DAYGRLMNSA-N 2 2 332.492 3.350 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000346783835 457168379 /nfs/dbraw/zinc/16/83/79/457168379.db2.gz AIIFJHHKDOFJKY-DAYGRLMNSA-N 2 2 332.492 3.350 20 0 EGADLP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000359953379 457169025 /nfs/dbraw/zinc/16/90/25/457169025.db2.gz WIICMXKCJGTVGW-OAHLLOKOSA-N 2 2 331.504 3.212 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000359993782 457192078 /nfs/dbraw/zinc/19/20/78/457192078.db2.gz OJPVKEHLZGOYAA-YOEHRIQHSA-N 2 2 330.476 3.104 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000359993782 457192083 /nfs/dbraw/zinc/19/20/83/457192083.db2.gz OJPVKEHLZGOYAA-YOEHRIQHSA-N 2 2 330.476 3.104 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000359993781 457192505 /nfs/dbraw/zinc/19/25/05/457192505.db2.gz OJPVKEHLZGOYAA-WMLDXEAASA-N 2 2 330.476 3.104 20 0 EGADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000359993781 457192511 /nfs/dbraw/zinc/19/25/11/457192511.db2.gz OJPVKEHLZGOYAA-WMLDXEAASA-N 2 2 330.476 3.104 20 0 EGADLP C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@@H](C[NH3+])C1CC1 ZINC000360006733 457198542 /nfs/dbraw/zinc/19/85/42/457198542.db2.gz MSKQSVLWPUROJB-SFHVURJKSA-N 2 2 345.874 3.483 20 0 EGADLP C[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@@H](C[NH3+])C1CC1 ZINC000360006733 457198549 /nfs/dbraw/zinc/19/85/49/457198549.db2.gz MSKQSVLWPUROJB-SFHVURJKSA-N 2 2 345.874 3.483 20 0 EGADLP C[C@@H]1CCC[C@@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000350940843 457212052 /nfs/dbraw/zinc/21/20/52/457212052.db2.gz NCLCPKWGXBFQCK-RTBURBONSA-N 3 2 330.520 3.010 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000347114507 457237071 /nfs/dbraw/zinc/23/70/71/457237071.db2.gz TXFYDCFPLBDZCZ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000347114507 457237076 /nfs/dbraw/zinc/23/70/76/457237076.db2.gz TXFYDCFPLBDZCZ-CQSZACIVSA-N 2 2 331.485 3.250 20 0 EGADLP c1ccc(N2CCC([NH2+]C3(c4ccc5c(c4)OCO5)CC3)CC2)[nH+]c1 ZINC000347124414 457241816 /nfs/dbraw/zinc/24/18/16/457241816.db2.gz PCROHAHFOQZXDH-UHFFFAOYSA-N 2 2 337.423 3.058 20 0 EGADLP CCn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000360078404 457242691 /nfs/dbraw/zinc/24/26/91/457242691.db2.gz WHJWHJHXXWNYKQ-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000360078404 457242697 /nfs/dbraw/zinc/24/26/97/457242697.db2.gz WHJWHJHXXWNYKQ-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000360078404 457242703 /nfs/dbraw/zinc/24/27/03/457242703.db2.gz WHJWHJHXXWNYKQ-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000360078404 457242709 /nfs/dbraw/zinc/24/27/09/457242709.db2.gz WHJWHJHXXWNYKQ-OAQYLSRUSA-N 2 2 338.499 3.391 20 0 EGADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347229731 457300479 /nfs/dbraw/zinc/30/04/79/457300479.db2.gz XQGBILJJNGXNIR-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347229731 457300480 /nfs/dbraw/zinc/30/04/80/457300480.db2.gz XQGBILJJNGXNIR-OCCSQVGLSA-N 2 2 326.868 3.307 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000363391900 457309716 /nfs/dbraw/zinc/30/97/16/457309716.db2.gz BCVQJNSJZIPQPH-SJLPKXTDSA-N 2 2 330.403 3.039 20 0 EGADLP Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)o2)cc1 ZINC000363391900 457309719 /nfs/dbraw/zinc/30/97/19/457309719.db2.gz BCVQJNSJZIPQPH-SJLPKXTDSA-N 2 2 330.403 3.039 20 0 EGADLP Cc1ccc2[nH+]c(CN3CC[NH+](C4CCC(C)CC4)CC3)cn2c1 ZINC000360751741 457337150 /nfs/dbraw/zinc/33/71/50/457337150.db2.gz GNRACGMBCVYWSG-UHFFFAOYSA-N 2 2 326.488 3.339 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1CCCc2[nH+]ccn21 ZINC000352168306 457344223 /nfs/dbraw/zinc/34/42/23/457344223.db2.gz QIBUNLMJKPUKDJ-QGZVFWFLSA-N 2 2 349.438 3.475 20 0 EGADLP OC[C@H]1C=C[C@@H]([N@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330970 457356289 /nfs/dbraw/zinc/35/62/89/457356289.db2.gz HWBZFLZMJNKBKV-ZWKOTPCHSA-N 2 2 334.529 3.363 20 0 EGADLP OC[C@H]1C=C[C@@H]([N@@H+](CCC[NH+]2CCCCC2)Cc2cccs2)C1 ZINC000347330970 457356292 /nfs/dbraw/zinc/35/62/92/457356292.db2.gz HWBZFLZMJNKBKV-ZWKOTPCHSA-N 2 2 334.529 3.363 20 0 EGADLP C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000342547682 457360778 /nfs/dbraw/zinc/36/07/78/457360778.db2.gz KRARXCPQQVJPSF-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000342547682 457360784 /nfs/dbraw/zinc/36/07/84/457360784.db2.gz KRARXCPQQVJPSF-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000342547682 457360788 /nfs/dbraw/zinc/36/07/88/457360788.db2.gz KRARXCPQQVJPSF-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP C[NH+](Cc1cc(Br)ccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342547682 457360793 /nfs/dbraw/zinc/36/07/93/457360793.db2.gz KRARXCPQQVJPSF-GFCCVEGCSA-N 2 2 329.257 3.362 20 0 EGADLP Cc1cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cn2cc[nH+]c12 ZINC000355472437 457378733 /nfs/dbraw/zinc/37/87/33/457378733.db2.gz FCFQWOHWEABGQL-UHFFFAOYSA-N 2 2 345.406 3.069 20 0 EGADLP Cn1c(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)nc2cc(Cl)ccc21 ZINC000369772856 457392658 /nfs/dbraw/zinc/39/26/58/457392658.db2.gz NEDNULIWHCLPER-LBPRGKRZSA-N 2 2 329.835 3.090 20 0 EGADLP CCCc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360883623 457406917 /nfs/dbraw/zinc/40/69/17/457406917.db2.gz OIUUQVBRUNGMAQ-YLJYHZDGSA-N 2 2 345.531 3.232 20 0 EGADLP CCCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000360883623 457406921 /nfs/dbraw/zinc/40/69/21/457406921.db2.gz OIUUQVBRUNGMAQ-YLJYHZDGSA-N 2 2 345.531 3.232 20 0 EGADLP COC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342628761 457413635 /nfs/dbraw/zinc/41/36/35/457413635.db2.gz AMXJAFNLFIZBRV-UHFFFAOYSA-N 2 2 349.434 3.041 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817164 457414052 /nfs/dbraw/zinc/41/40/52/457414052.db2.gz YNDUQYWQIALTBG-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817164 457414056 /nfs/dbraw/zinc/41/40/56/457414056.db2.gz YNDUQYWQIALTBG-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817164 457414063 /nfs/dbraw/zinc/41/40/63/457414063.db2.gz YNDUQYWQIALTBG-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000369817164 457414069 /nfs/dbraw/zinc/41/40/69/457414069.db2.gz YNDUQYWQIALTBG-HOTGVXAUSA-N 2 2 328.460 3.380 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360894254 457414894 /nfs/dbraw/zinc/41/48/94/457414894.db2.gz NOSGTDHXHSAJJI-MOPGFXCFSA-N 2 2 331.504 3.060 20 0 EGADLP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000360894254 457414903 /nfs/dbraw/zinc/41/49/03/457414903.db2.gz NOSGTDHXHSAJJI-MOPGFXCFSA-N 2 2 331.504 3.060 20 0 EGADLP CCCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643212 457416221 /nfs/dbraw/zinc/41/62/21/457416221.db2.gz FPBONVUTSLYHGD-IEBWSBKVSA-N 2 2 326.488 3.436 20 0 EGADLP CCCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379643212 457416223 /nfs/dbraw/zinc/41/62/23/457416223.db2.gz FPBONVUTSLYHGD-IEBWSBKVSA-N 2 2 326.488 3.436 20 0 EGADLP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540431 457450756 /nfs/dbraw/zinc/45/07/56/457450756.db2.gz KYUKQMIMKJVXRL-FQEVSTJZSA-N 2 2 325.431 3.463 20 0 EGADLP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352540431 457450758 /nfs/dbraw/zinc/45/07/58/457450758.db2.gz KYUKQMIMKJVXRL-FQEVSTJZSA-N 2 2 325.431 3.463 20 0 EGADLP Cc1[nH+]ccc(N2CC[NH+](CCOc3ccccc3)CC2)c1Cl ZINC000357337032 457456207 /nfs/dbraw/zinc/45/62/07/457456207.db2.gz NIAUTAMKKQEZAG-UHFFFAOYSA-N 2 2 331.847 3.244 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230788 457476069 /nfs/dbraw/zinc/47/60/69/457476069.db2.gz VRLYTEUUSZSCPS-TYPHKJRUSA-N 3 2 329.532 3.409 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395230788 457476080 /nfs/dbraw/zinc/47/60/80/457476080.db2.gz VRLYTEUUSZSCPS-TYPHKJRUSA-N 3 2 329.532 3.409 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000360973884 457480822 /nfs/dbraw/zinc/48/08/22/457480822.db2.gz LDAVIAJYIFQXLX-JENIJYKNSA-N 2 2 336.520 3.353 20 0 EGADLP Cc1[nH+]ccn1CCCN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000347579616 457522402 /nfs/dbraw/zinc/52/24/02/457522402.db2.gz JZTNOQPVFGQMQX-ROUUACIJSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579616 457522408 /nfs/dbraw/zinc/52/24/08/457522408.db2.gz JZTNOQPVFGQMQX-ROUUACIJSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000347579616 457522414 /nfs/dbraw/zinc/52/24/14/457522414.db2.gz JZTNOQPVFGQMQX-ROUUACIJSA-N 2 2 326.488 3.176 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000342786774 457527650 /nfs/dbraw/zinc/52/76/50/457527650.db2.gz UBYWKWIMIHNOPP-APWZRJJASA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c[nH+]c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1C ZINC000342786774 457527657 /nfs/dbraw/zinc/52/76/57/457527657.db2.gz UBYWKWIMIHNOPP-APWZRJJASA-N 2 2 326.488 3.213 20 0 EGADLP Cc1ccn2c(CN3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000342839094 457551115 /nfs/dbraw/zinc/55/11/15/457551115.db2.gz GURNAGATILYRRI-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP Cc1ccn2c(CN3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)c[nH+]c2c1 ZINC000342839094 457551120 /nfs/dbraw/zinc/55/11/20/457551120.db2.gz GURNAGATILYRRI-IBGZPJMESA-N 2 2 334.467 3.001 20 0 EGADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCc2ccc(C)[nH+]c2)cc1 ZINC000342857980 457562499 /nfs/dbraw/zinc/56/24/99/457562499.db2.gz GREVCKXFKCGOJP-INIZCTEOSA-N 2 2 346.496 3.467 20 0 EGADLP C[NH+](C)Cc1ccnc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000361080533 457570082 /nfs/dbraw/zinc/57/00/82/457570082.db2.gz RWXXVDVBRRLSCM-QGZVFWFLSA-N 2 2 346.862 3.038 20 0 EGADLP c1cn(CCC[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)c[nH+]1 ZINC000425514085 457583413 /nfs/dbraw/zinc/58/34/13/457583413.db2.gz PIGMJUKWLBGYEZ-UHFFFAOYSA-N 2 2 330.501 3.488 20 0 EGADLP COc1ccc(F)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000361120669 457595009 /nfs/dbraw/zinc/59/50/09/457595009.db2.gz CGCVBWCABXIYON-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000361120669 457595012 /nfs/dbraw/zinc/59/50/12/457595012.db2.gz CGCVBWCABXIYON-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000361120669 457595014 /nfs/dbraw/zinc/59/50/14/457595014.db2.gz CGCVBWCABXIYON-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP COc1ccc(F)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000361120669 457595019 /nfs/dbraw/zinc/59/50/19/457595019.db2.gz CGCVBWCABXIYON-OXJNMPFZSA-N 2 2 343.446 3.354 20 0 EGADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125803 457597547 /nfs/dbraw/zinc/59/75/47/457597547.db2.gz KZRHTAAILIHYPC-OXJNMPFZSA-N 2 2 344.503 3.089 20 0 EGADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccccc1 ZINC000361125803 457597553 /nfs/dbraw/zinc/59/75/53/457597553.db2.gz KZRHTAAILIHYPC-OXJNMPFZSA-N 2 2 344.503 3.089 20 0 EGADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000370277349 457607658 /nfs/dbraw/zinc/60/76/58/457607658.db2.gz UOTATZNXCGFMQY-IBGZPJMESA-N 2 2 342.462 3.191 20 0 EGADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)CCCO2 ZINC000370290829 457610133 /nfs/dbraw/zinc/61/01/33/457610133.db2.gz OPRBNBDJHLYOGV-QGZVFWFLSA-N 2 2 338.386 3.410 20 0 EGADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)c2ccsc2)CC1 ZINC000410324977 457636993 /nfs/dbraw/zinc/63/69/93/457636993.db2.gz FRIJSWPNGSBOIZ-QGZVFWFLSA-N 2 2 338.517 3.406 20 0 EGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)c2ccsc2)CC1 ZINC000410324977 457636998 /nfs/dbraw/zinc/63/69/98/457636998.db2.gz FRIJSWPNGSBOIZ-QGZVFWFLSA-N 2 2 338.517 3.406 20 0 EGADLP C[NH+](C)C1(CNc2cc(N3CCSCC3)[nH+]cn2)CCCCCC1 ZINC000357658147 457644465 /nfs/dbraw/zinc/64/44/65/457644465.db2.gz HORFELZWTILJDR-UHFFFAOYSA-N 2 2 349.548 3.096 20 0 EGADLP COc1cccc(CN(CC[NH+](C)C)c2cc(C)[nH+]c(C(C)C)n2)c1 ZINC000357677576 457651047 /nfs/dbraw/zinc/65/10/47/457651047.db2.gz XXZFFZASXRMKRE-UHFFFAOYSA-N 2 2 342.487 3.485 20 0 EGADLP C[N@H+](C/C=C/c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940205 457655613 /nfs/dbraw/zinc/65/56/13/457655613.db2.gz GMRPYKWZVMSYIY-SYZXBLONSA-N 2 2 336.479 3.269 20 0 EGADLP C[N@@H+](C/C=C/c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940205 457655617 /nfs/dbraw/zinc/65/56/17/457655617.db2.gz GMRPYKWZVMSYIY-SYZXBLONSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C/c1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940205 457655620 /nfs/dbraw/zinc/65/56/20/457655620.db2.gz GMRPYKWZVMSYIY-SYZXBLONSA-N 2 2 336.479 3.269 20 0 EGADLP C[NH+](C/C=C/c1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940205 457655624 /nfs/dbraw/zinc/65/56/24/457655624.db2.gz GMRPYKWZVMSYIY-SYZXBLONSA-N 2 2 336.479 3.269 20 0 EGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361289624 457680815 /nfs/dbraw/zinc/68/08/15/457680815.db2.gz QMFKJMQQGHWYOJ-UHFFFAOYSA-N 2 2 338.377 3.289 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc(C)ccc1OC ZINC000357784191 457688568 /nfs/dbraw/zinc/68/85/68/457688568.db2.gz LLEDJJPYLGITSS-HKUYNNGSSA-N 2 2 334.504 3.137 20 0 EGADLP Cc1cc(C)cc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000358027115 457744250 /nfs/dbraw/zinc/74/42/50/457744250.db2.gz VRLHPAQCPPMKHQ-UHFFFAOYSA-N 2 2 339.483 3.331 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc([S@](C)=O)cc1 ZINC000361498017 457754801 /nfs/dbraw/zinc/75/48/01/457754801.db2.gz RISZHGNQJLFTQG-MYYSRTQBSA-N 2 2 339.464 3.461 20 0 EGADLP Cc1cccn2c(C[NH2+]CC3(CO)CC(c4ccccc4)C3)c[nH+]c12 ZINC000433171718 457768808 /nfs/dbraw/zinc/76/88/08/457768808.db2.gz CEXLRRKPORIHPN-UHFFFAOYSA-N 2 2 335.451 3.289 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361676041 457817095 /nfs/dbraw/zinc/81/70/95/457817095.db2.gz QZNNKQNRFIDDOK-QZTJIDSGSA-N 2 2 349.906 3.030 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361676041 457817102 /nfs/dbraw/zinc/81/71/02/457817102.db2.gz QZNNKQNRFIDDOK-QZTJIDSGSA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1C[C@@H](C)Sc2sccc21 ZINC000358159314 457823286 /nfs/dbraw/zinc/82/32/86/457823286.db2.gz QMQISCALPJGVNT-UMVBOHGHSA-N 2 2 326.531 3.374 20 0 EGADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000444005905 457840058 /nfs/dbraw/zinc/84/00/58/457840058.db2.gz ZBIGYGUAROAXCK-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000444005905 457840062 /nfs/dbraw/zinc/84/00/62/457840062.db2.gz ZBIGYGUAROAXCK-HXUWFJFHSA-N 2 2 344.886 3.375 20 0 EGADLP C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411295520 457851881 /nfs/dbraw/zinc/85/18/81/457851881.db2.gz QJPCKVFHANVVKV-QZMQVMSPSA-N 2 2 334.529 3.014 20 0 EGADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000358195100 457852387 /nfs/dbraw/zinc/85/23/87/457852387.db2.gz BWXCNRSQRNJEKJ-FQEVSTJZSA-N 2 2 343.446 3.162 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295646 457852703 /nfs/dbraw/zinc/85/27/03/457852703.db2.gz TXFBMQCTKBLRLW-CEXWTWQISA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1coc(-c2ccccc2)n1 ZINC000371295646 457852714 /nfs/dbraw/zinc/85/27/14/457852714.db2.gz TXFBMQCTKBLRLW-CEXWTWQISA-N 2 2 341.455 3.025 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1C(F)(F)F ZINC000371294722 457852952 /nfs/dbraw/zinc/85/29/52/457852952.db2.gz MRZKURDQSIRQRM-HYVNUMGLSA-N 2 2 342.405 3.389 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C(F)(F)F ZINC000371294722 457852957 /nfs/dbraw/zinc/85/29/57/457852957.db2.gz MRZKURDQSIRQRM-HYVNUMGLSA-N 2 2 342.405 3.389 20 0 EGADLP Cc1ccn2c(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)cnc2c1 ZINC000433764712 457882015 /nfs/dbraw/zinc/88/20/15/457882015.db2.gz ZTOMTOXIAKJMMN-MRXNPFEDSA-N 2 2 335.455 3.165 20 0 EGADLP Cc1ccn2c(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)cnc2c1 ZINC000433764712 457882021 /nfs/dbraw/zinc/88/20/21/457882021.db2.gz ZTOMTOXIAKJMMN-MRXNPFEDSA-N 2 2 335.455 3.165 20 0 EGADLP CC1(C)C[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411605324 457927381 /nfs/dbraw/zinc/92/73/81/457927381.db2.gz QAYOLHFWYUXYSL-HSZRJFAPSA-N 2 2 334.529 3.015 20 0 EGADLP CC1(C)C[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411605324 457927384 /nfs/dbraw/zinc/92/73/84/457927384.db2.gz QAYOLHFWYUXYSL-HSZRJFAPSA-N 2 2 334.529 3.015 20 0 EGADLP CC(C)COc1cccc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000433999643 457929909 /nfs/dbraw/zinc/92/99/09/457929909.db2.gz QSDLMYLQRAJIPP-PXNSSMCTSA-N 2 2 343.471 3.465 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891789 457934542 /nfs/dbraw/zinc/93/45/42/457934542.db2.gz YNGFMNDUXQFKQD-UHOSZYNNSA-N 2 2 328.456 3.122 20 0 EGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361891789 457934550 /nfs/dbraw/zinc/93/45/50/457934550.db2.gz YNGFMNDUXQFKQD-UHOSZYNNSA-N 2 2 328.456 3.122 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361893479 457936795 /nfs/dbraw/zinc/93/67/95/457936795.db2.gz QPWXKGJJNXBEQW-ILZDJORESA-N 2 2 342.483 3.376 20 0 EGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000361893479 457936805 /nfs/dbraw/zinc/93/68/05/457936805.db2.gz QPWXKGJJNXBEQW-ILZDJORESA-N 2 2 342.483 3.376 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427103795 457943537 /nfs/dbraw/zinc/94/35/37/457943537.db2.gz ZBLJGVSOCOZCCO-KDOFPFPSSA-N 2 2 330.863 3.018 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427103795 457943542 /nfs/dbraw/zinc/94/35/42/457943542.db2.gz ZBLJGVSOCOZCCO-KDOFPFPSSA-N 2 2 330.863 3.018 20 0 EGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427105709 457945218 /nfs/dbraw/zinc/94/52/18/457945218.db2.gz ABHWIBOHTAPABF-ZBFHGGJFSA-N 2 2 338.879 3.321 20 0 EGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427105709 457945224 /nfs/dbraw/zinc/94/52/24/457945224.db2.gz ABHWIBOHTAPABF-ZBFHGGJFSA-N 2 2 338.879 3.321 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[S@]1=O ZINC000411720100 457960324 /nfs/dbraw/zinc/96/03/24/457960324.db2.gz PBOMLEKXQKWPSD-WPSZSDGUSA-N 2 2 348.556 3.404 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)[S@]1=O ZINC000411720100 457960335 /nfs/dbraw/zinc/96/03/35/457960335.db2.gz PBOMLEKXQKWPSD-WPSZSDGUSA-N 2 2 348.556 3.404 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000371570425 457992836 /nfs/dbraw/zinc/99/28/36/457992836.db2.gz HNCSIIPROUXHLA-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000371570425 457992842 /nfs/dbraw/zinc/99/28/42/457992842.db2.gz HNCSIIPROUXHLA-HXUWFJFHSA-N 2 2 348.450 3.182 20 0 EGADLP CCc1sc(C[NH+]2CCC([NH3+])CC2)nc1-c1ccc(OC)cc1 ZINC000434659608 458030320 /nfs/dbraw/zinc/03/03/20/458030320.db2.gz RYQCKWPYPJLLQD-UHFFFAOYSA-N 2 2 331.485 3.304 20 0 EGADLP C[C@H]1C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435368294 458120240 /nfs/dbraw/zinc/12/02/40/458120240.db2.gz AIDZHLOFUNOKQC-FZMZJTMJSA-N 2 2 349.276 3.008 20 0 EGADLP C[C@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC[C@@H]1[NH3+] ZINC000435368294 458120244 /nfs/dbraw/zinc/12/02/44/458120244.db2.gz AIDZHLOFUNOKQC-FZMZJTMJSA-N 2 2 349.276 3.008 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000435385087 458131660 /nfs/dbraw/zinc/13/16/60/458131660.db2.gz PMDKWBWLUBVWFL-VQTJNVASSA-N 2 2 340.467 3.300 20 0 EGADLP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000435385087 458131665 /nfs/dbraw/zinc/13/16/65/458131665.db2.gz PMDKWBWLUBVWFL-VQTJNVASSA-N 2 2 340.467 3.300 20 0 EGADLP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000435385364 458132627 /nfs/dbraw/zinc/13/26/27/458132627.db2.gz PWVJZBGUSLRDKP-OALUTQOASA-N 2 2 340.467 3.300 20 0 EGADLP COc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000435385364 458132632 /nfs/dbraw/zinc/13/26/32/458132632.db2.gz PWVJZBGUSLRDKP-OALUTQOASA-N 2 2 340.467 3.300 20 0 EGADLP C[NH2+]C1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000435389321 458133781 /nfs/dbraw/zinc/13/37/81/458133781.db2.gz KBIZEHWDPLOOCH-UHFFFAOYSA-N 2 2 338.499 3.409 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)c3cccc(O)c3)sc2C1 ZINC000428562371 458171637 /nfs/dbraw/zinc/17/16/37/458171637.db2.gz SVUMIMVAAMMUDZ-CYBMUJFWSA-N 2 2 331.485 3.466 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)c3cccc(O)c3)sc2C1 ZINC000428562371 458171643 /nfs/dbraw/zinc/17/16/43/458171643.db2.gz SVUMIMVAAMMUDZ-CYBMUJFWSA-N 2 2 331.485 3.466 20 0 EGADLP CC[N@H+](CC(=O)Nc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435617266 458173787 /nfs/dbraw/zinc/17/37/87/458173787.db2.gz VSTZYKWJDNMOPE-KRWDZBQOSA-N 2 2 325.456 3.242 20 0 EGADLP CC[N@@H+](CC(=O)Nc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435617266 458173793 /nfs/dbraw/zinc/17/37/93/458173793.db2.gz VSTZYKWJDNMOPE-KRWDZBQOSA-N 2 2 325.456 3.242 20 0 EGADLP Cc1ncsc1C[N@H+](CCOc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000435723528 458190377 /nfs/dbraw/zinc/19/03/77/458190377.db2.gz PHQPUMLPELMPPX-HNNXBMFYSA-N 2 2 349.475 3.081 20 0 EGADLP Cc1ncsc1C[N@@H+](CCOc1ccccc1F)C[C@H]1CC[NH2+]C1 ZINC000435723528 458190384 /nfs/dbraw/zinc/19/03/84/458190384.db2.gz PHQPUMLPELMPPX-HNNXBMFYSA-N 2 2 349.475 3.081 20 0 EGADLP CSCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000358828375 458242408 /nfs/dbraw/zinc/24/24/08/458242408.db2.gz OBMQGFDFICIDCF-KRWDZBQOSA-N 2 2 342.936 3.008 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000459065493 458258045 /nfs/dbraw/zinc/25/80/45/458258045.db2.gz UBPQXGJWSDSZHQ-ULQDDVLXSA-N 2 2 349.523 3.164 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccc(OC)nc1)[N@@H+]1CCc2ccccc2C1 ZINC000436280086 458282657 /nfs/dbraw/zinc/28/26/57/458282657.db2.gz JRJNTUMBJBISTP-LJQANCHMSA-N 2 2 325.456 3.017 20 0 EGADLP CC[C@H](C[NH2+]Cc1ccc(OC)nc1)[N@H+]1CCc2ccccc2C1 ZINC000436280086 458282665 /nfs/dbraw/zinc/28/26/65/458282665.db2.gz JRJNTUMBJBISTP-LJQANCHMSA-N 2 2 325.456 3.017 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000447539678 458308490 /nfs/dbraw/zinc/30/84/90/458308490.db2.gz ATTPQWQOBPXOMA-TUFLPTIASA-N 2 2 342.527 3.472 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000447539678 458308494 /nfs/dbraw/zinc/30/84/94/458308494.db2.gz ATTPQWQOBPXOMA-TUFLPTIASA-N 2 2 342.527 3.472 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000459290379 458317945 /nfs/dbraw/zinc/31/79/45/458317945.db2.gz BLNWEZJCUNNELJ-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000459290379 458317950 /nfs/dbraw/zinc/31/79/50/458317950.db2.gz BLNWEZJCUNNELJ-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000459290379 458317954 /nfs/dbraw/zinc/31/79/54/458317954.db2.gz BLNWEZJCUNNELJ-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000459290379 458317960 /nfs/dbraw/zinc/31/79/60/458317960.db2.gz BLNWEZJCUNNELJ-AWEZNQCLSA-N 2 2 332.517 3.355 20 0 EGADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459318212 458327270 /nfs/dbraw/zinc/32/72/70/458327270.db2.gz BZZYYLBRULQVSU-UHFFFAOYSA-N 2 2 340.471 3.154 20 0 EGADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459318212 458327275 /nfs/dbraw/zinc/32/72/75/458327275.db2.gz BZZYYLBRULQVSU-UHFFFAOYSA-N 2 2 340.471 3.154 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324440 458329799 /nfs/dbraw/zinc/32/97/99/458329799.db2.gz KOMRSAJPPJTYEL-IAGOWNOFSA-N 2 2 328.504 3.440 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324440 458329806 /nfs/dbraw/zinc/32/98/06/458329806.db2.gz KOMRSAJPPJTYEL-IAGOWNOFSA-N 2 2 328.504 3.440 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324440 458329810 /nfs/dbraw/zinc/32/98/10/458329810.db2.gz KOMRSAJPPJTYEL-IAGOWNOFSA-N 2 2 328.504 3.440 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324440 458329819 /nfs/dbraw/zinc/32/98/19/458329819.db2.gz KOMRSAJPPJTYEL-IAGOWNOFSA-N 2 2 328.504 3.440 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324444 458330417 /nfs/dbraw/zinc/33/04/17/458330417.db2.gz KOMRSAJPPJTYEL-SJORKVTESA-N 2 2 328.504 3.440 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324444 458330422 /nfs/dbraw/zinc/33/04/22/458330422.db2.gz KOMRSAJPPJTYEL-SJORKVTESA-N 2 2 328.504 3.440 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324444 458330426 /nfs/dbraw/zinc/33/04/26/458330426.db2.gz KOMRSAJPPJTYEL-SJORKVTESA-N 2 2 328.504 3.440 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000459324444 458330430 /nfs/dbraw/zinc/33/04/30/458330430.db2.gz KOMRSAJPPJTYEL-SJORKVTESA-N 2 2 328.504 3.440 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543470 458342198 /nfs/dbraw/zinc/34/21/98/458342198.db2.gz UWWSPRUHEBKUIL-QZTJIDSGSA-N 2 2 331.504 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543470 458342203 /nfs/dbraw/zinc/34/22/03/458342203.db2.gz UWWSPRUHEBKUIL-QZTJIDSGSA-N 2 2 331.504 3.355 20 0 EGADLP C[C@H]1c2cccc(Br)c2CC[N@H+]1CCc1c[nH+]cn1C ZINC000459377086 458349870 /nfs/dbraw/zinc/34/98/70/458349870.db2.gz SZXXGKXSQGQIME-LBPRGKRZSA-N 2 2 334.261 3.344 20 0 EGADLP C[C@H]1c2cccc(Br)c2CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459377086 458349874 /nfs/dbraw/zinc/34/98/74/458349874.db2.gz SZXXGKXSQGQIME-LBPRGKRZSA-N 2 2 334.261 3.344 20 0 EGADLP Clc1ccc(-n2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)cn2)cc1 ZINC000376727236 458376740 /nfs/dbraw/zinc/37/67/40/458376740.db2.gz CMJGJWABWPQCNJ-UHFFFAOYSA-N 2 2 341.846 3.348 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021996 458379916 /nfs/dbraw/zinc/37/99/16/458379916.db2.gz LXEQOZZERPELNX-YJBOKZPZSA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021996 458379920 /nfs/dbraw/zinc/37/99/20/458379920.db2.gz LXEQOZZERPELNX-YJBOKZPZSA-N 2 2 347.503 3.122 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000448024322 458380546 /nfs/dbraw/zinc/38/05/46/458380546.db2.gz XQWDDTKODDTUMS-CRAIPNDOSA-N 2 2 347.503 3.122 20 0 EGADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000448024322 458380553 /nfs/dbraw/zinc/38/05/53/458380553.db2.gz XQWDDTKODDTUMS-CRAIPNDOSA-N 2 2 347.503 3.122 20 0 EGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459464423 458380722 /nfs/dbraw/zinc/38/07/22/458380722.db2.gz OVUCFFGYCAXQHD-LLVKDONJSA-N 2 2 344.425 3.340 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448025563 458381173 /nfs/dbraw/zinc/38/11/73/458381173.db2.gz DUHKASSIBONIOJ-WMZOPIPTSA-N 2 2 331.504 3.138 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448025563 458381178 /nfs/dbraw/zinc/38/11/78/458381178.db2.gz DUHKASSIBONIOJ-WMZOPIPTSA-N 2 2 331.504 3.138 20 0 EGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376766796 458386391 /nfs/dbraw/zinc/38/63/91/458386391.db2.gz GLRMYNFZWGDLRM-UHFFFAOYSA-N 2 2 335.455 3.312 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)C1 ZINC000376803724 458393271 /nfs/dbraw/zinc/39/32/71/458393271.db2.gz HDMSOWUOCXYHQU-NZSAHSFTSA-N 2 2 330.472 3.097 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCC3)O2)C1 ZINC000376803724 458393275 /nfs/dbraw/zinc/39/32/75/458393275.db2.gz HDMSOWUOCXYHQU-NZSAHSFTSA-N 2 2 330.472 3.097 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000459523997 458400209 /nfs/dbraw/zinc/40/02/09/458400209.db2.gz GFKIMCXDLIGWIV-UHFFFAOYSA-N 2 2 332.517 3.499 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000459523997 458400211 /nfs/dbraw/zinc/40/02/11/458400211.db2.gz GFKIMCXDLIGWIV-UHFFFAOYSA-N 2 2 332.517 3.499 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000437142737 458430405 /nfs/dbraw/zinc/43/04/05/458430405.db2.gz GVOHYUSGWBWJCN-UYAOXDASSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cn1 ZINC000437142737 458430408 /nfs/dbraw/zinc/43/04/08/458430408.db2.gz GVOHYUSGWBWJCN-UYAOXDASSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000437142737 458430409 /nfs/dbraw/zinc/43/04/09/458430409.db2.gz GVOHYUSGWBWJCN-UYAOXDASSA-N 2 2 336.483 3.376 20 0 EGADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cn1 ZINC000437142737 458430411 /nfs/dbraw/zinc/43/04/11/458430411.db2.gz GVOHYUSGWBWJCN-UYAOXDASSA-N 2 2 336.483 3.376 20 0 EGADLP Brc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)cc1 ZINC000423433157 458432988 /nfs/dbraw/zinc/43/29/88/458432988.db2.gz MXQBNLJREYNVKH-XDNAFOTISA-N 2 2 343.268 3.346 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000373224950 458435543 /nfs/dbraw/zinc/43/55/43/458435543.db2.gz AVBOSSYMJQRCFN-CQSZACIVSA-N 2 2 325.416 3.091 20 0 EGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000373224950 458435549 /nfs/dbraw/zinc/43/55/49/458435549.db2.gz AVBOSSYMJQRCFN-CQSZACIVSA-N 2 2 325.416 3.091 20 0 EGADLP CSC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423491093 458442000 /nfs/dbraw/zinc/44/20/00/458442000.db2.gz JDJVTKGZRBAJIK-GJZGRUSLSA-N 2 2 348.434 3.078 20 0 EGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1ccccc1)c1cccc2ccccc21 ZINC000423508291 458445797 /nfs/dbraw/zinc/44/57/97/458445797.db2.gz HXPLEFWOIJXZHI-NZQKXSOJSA-N 2 2 345.490 3.422 20 0 EGADLP COc1ncc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC000423536264 458455177 /nfs/dbraw/zinc/45/51/77/458455177.db2.gz ZEVHWCFKLBOXOW-ISTRZQFTSA-N 2 2 331.847 3.150 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccs1 ZINC000423577433 458458595 /nfs/dbraw/zinc/45/85/95/458458595.db2.gz SFBUXYDHJPKGDM-ZBFHGGJFSA-N 2 2 336.888 3.263 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559564 458460652 /nfs/dbraw/zinc/46/06/52/458460652.db2.gz DMNWPCSSXAXVDJ-GXTWGEPZSA-N 2 2 345.409 3.338 20 0 EGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000430559564 458460658 /nfs/dbraw/zinc/46/06/58/458460658.db2.gz DMNWPCSSXAXVDJ-GXTWGEPZSA-N 2 2 345.409 3.338 20 0 EGADLP C[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC(C)(C)C[NH3+] ZINC000430561474 458461830 /nfs/dbraw/zinc/46/18/30/458461830.db2.gz LZCZZAPOIZRXCS-UHFFFAOYSA-N 2 2 342.365 3.172 20 0 EGADLP C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)CC(C)(C)C[NH3+] ZINC000430561474 458461832 /nfs/dbraw/zinc/46/18/32/458461832.db2.gz LZCZZAPOIZRXCS-UHFFFAOYSA-N 2 2 342.365 3.172 20 0 EGADLP CC(C)(C)C[C@@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000430575364 458463426 /nfs/dbraw/zinc/46/34/26/458463426.db2.gz QUCMHZHLTJEIKU-YLJYHZDGSA-N 2 2 349.494 3.136 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000430578576 458465383 /nfs/dbraw/zinc/46/53/83/458465383.db2.gz AXXVLSXIHGHBDL-CABCVRRESA-N 2 2 328.378 3.301 20 0 EGADLP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000430578576 458465385 /nfs/dbraw/zinc/46/53/85/458465385.db2.gz AXXVLSXIHGHBDL-CABCVRRESA-N 2 2 328.378 3.301 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430590288 458468182 /nfs/dbraw/zinc/46/81/82/458468182.db2.gz KIOQRZRCTWWICN-FQEVSTJZSA-N 2 2 332.451 3.462 20 0 EGADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000430590288 458468186 /nfs/dbraw/zinc/46/81/86/458468186.db2.gz KIOQRZRCTWWICN-FQEVSTJZSA-N 2 2 332.451 3.462 20 0 EGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423868709 458501906 /nfs/dbraw/zinc/50/19/06/458501906.db2.gz HXDMWQINXPYKLC-APWZRJJASA-N 2 2 342.487 3.020 20 0 EGADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430920038 458505584 /nfs/dbraw/zinc/50/55/84/458505584.db2.gz NFNQFNIVNXIJQX-KXBFYZLASA-N 2 2 339.439 3.087 20 0 EGADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430920038 458505590 /nfs/dbraw/zinc/50/55/90/458505590.db2.gz NFNQFNIVNXIJQX-KXBFYZLASA-N 2 2 339.439 3.087 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954496 458510297 /nfs/dbraw/zinc/51/02/97/458510297.db2.gz FUYUVQDJUHZYEO-IRXDYDNUSA-N 2 2 337.467 3.222 20 0 EGADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430954496 458510300 /nfs/dbraw/zinc/51/03/00/458510300.db2.gz FUYUVQDJUHZYEO-IRXDYDNUSA-N 2 2 337.467 3.222 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)[C@H]([NH3+])c3ccccc3)ccc2n1C1CC1 ZINC000423925782 458514320 /nfs/dbraw/zinc/51/43/20/458514320.db2.gz BQXHKDUTQZOUBD-HXUWFJFHSA-N 2 2 348.450 3.250 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000373551264 458529984 /nfs/dbraw/zinc/52/99/84/458529984.db2.gz JTCCAHYQBBKPKZ-HNAYVOBHSA-N 2 2 339.487 3.008 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431144355 458535294 /nfs/dbraw/zinc/53/52/94/458535294.db2.gz RWVUPKPGPZUZPC-YJBOKZPZSA-N 2 2 339.439 3.124 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431144355 458535297 /nfs/dbraw/zinc/53/52/97/458535297.db2.gz RWVUPKPGPZUZPC-YJBOKZPZSA-N 2 2 339.439 3.124 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000373721670 458583231 /nfs/dbraw/zinc/58/32/31/458583231.db2.gz VQISMXOOMMERGZ-KRWDZBQOSA-N 2 2 347.507 3.014 20 0 EGADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000373721670 458583236 /nfs/dbraw/zinc/58/32/36/458583236.db2.gz VQISMXOOMMERGZ-KRWDZBQOSA-N 2 2 347.507 3.014 20 0 EGADLP CC(C)(C)c1nc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cs1 ZINC000424302475 458610883 /nfs/dbraw/zinc/61/08/83/458610883.db2.gz ZPPBPMXRVXQRIV-UHFFFAOYSA-N 2 2 345.516 3.077 20 0 EGADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286210 458643713 /nfs/dbraw/zinc/64/37/13/458643713.db2.gz XAMOAJFQANHHOT-FUHWJXTLSA-N 2 2 334.504 3.407 20 0 EGADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C ZINC000502286210 458643719 /nfs/dbraw/zinc/64/37/19/458643719.db2.gz XAMOAJFQANHHOT-FUHWJXTLSA-N 2 2 334.504 3.407 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)c2[nH+]ccn21 ZINC000456363972 458648062 /nfs/dbraw/zinc/64/80/62/458648062.db2.gz FQSRVYYXEFNFAQ-IUODEOHRSA-N 2 2 338.411 3.127 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@H]3CC[N@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924619 458667951 /nfs/dbraw/zinc/66/79/51/458667951.db2.gz KIBHZFICEUYHQU-WMZOPIPTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCN(c2cc(N[C@H]3CC[N@@H+](CC4CCCC4)C3)nc[nH+]2)C1 ZINC000462924619 458667955 /nfs/dbraw/zinc/66/79/55/458667955.db2.gz KIBHZFICEUYHQU-WMZOPIPTSA-N 2 2 343.519 3.389 20 0 EGADLP Clc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000494394892 458669941 /nfs/dbraw/zinc/66/99/41/458669941.db2.gz WFISEELMFSWCIE-LBPRGKRZSA-N 2 2 340.652 3.404 20 0 EGADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CC2 ZINC000494422206 458673739 /nfs/dbraw/zinc/67/37/39/458673739.db2.gz BMSHONAJMNICBT-KRWDZBQOSA-N 2 2 343.434 3.327 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203160 458681566 /nfs/dbraw/zinc/68/15/66/458681566.db2.gz CKQYMWZWFIKBKB-QRWLVFNGSA-N 2 2 347.934 3.377 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000463203160 458681568 /nfs/dbraw/zinc/68/15/68/458681568.db2.gz CKQYMWZWFIKBKB-QRWLVFNGSA-N 2 2 347.934 3.377 20 0 EGADLP Clc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000494833004 458753433 /nfs/dbraw/zinc/75/34/33/458753433.db2.gz BDYPHIRELBLZOU-LLVKDONJSA-N 2 2 340.652 3.404 20 0 EGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000494923544 458766044 /nfs/dbraw/zinc/76/60/44/458766044.db2.gz NUGGIENRSKZMLZ-JFIYKMOQSA-N 2 2 333.524 3.384 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000464781700 458773573 /nfs/dbraw/zinc/77/35/73/458773573.db2.gz ZZNGVIYNSJCWNB-MJGOQNOKSA-N 2 2 345.531 3.090 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000464781700 458773576 /nfs/dbraw/zinc/77/35/76/458773576.db2.gz ZZNGVIYNSJCWNB-MJGOQNOKSA-N 2 2 345.531 3.090 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000472351668 458791587 /nfs/dbraw/zinc/79/15/87/458791587.db2.gz XDNFHTWXDKCSMI-AEFFLSMTSA-N 2 2 348.441 3.450 20 0 EGADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000472351668 458791591 /nfs/dbraw/zinc/79/15/91/458791591.db2.gz XDNFHTWXDKCSMI-AEFFLSMTSA-N 2 2 348.441 3.450 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472467263 458798329 /nfs/dbraw/zinc/79/83/29/458798329.db2.gz PMYXXTVGDRFBRC-DOTOQJQBSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472467263 458798334 /nfs/dbraw/zinc/79/83/34/458798334.db2.gz PMYXXTVGDRFBRC-DOTOQJQBSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472467263 458798338 /nfs/dbraw/zinc/79/83/38/458798338.db2.gz PMYXXTVGDRFBRC-DOTOQJQBSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472467263 458798344 /nfs/dbraw/zinc/79/83/44/458798344.db2.gz PMYXXTVGDRFBRC-DOTOQJQBSA-N 2 2 340.471 3.461 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000432863782 458803897 /nfs/dbraw/zinc/80/38/97/458803897.db2.gz JPFSVYCAYGEKJT-DOTOQJQBSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000432863782 458803902 /nfs/dbraw/zinc/80/39/02/458803902.db2.gz JPFSVYCAYGEKJT-DOTOQJQBSA-N 2 2 341.503 3.102 20 0 EGADLP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000518164326 458845979 /nfs/dbraw/zinc/84/59/79/458845979.db2.gz NHKPMAYRIKNDKG-UZLBHIALSA-N 2 2 347.466 3.164 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H]3Cc3ccccc3)c2cc1C ZINC000530994527 458856497 /nfs/dbraw/zinc/85/64/97/458856497.db2.gz DIELVUIOHPLDIQ-VQTJNVASSA-N 2 2 349.478 3.331 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H]3Cc3ccccc3)c2cc1C ZINC000530994527 458856499 /nfs/dbraw/zinc/85/64/99/458856499.db2.gz DIELVUIOHPLDIQ-VQTJNVASSA-N 2 2 349.478 3.331 20 0 EGADLP CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000474276404 458874399 /nfs/dbraw/zinc/87/43/99/458874399.db2.gz RCGBYSFPGHVOCX-HXUWFJFHSA-N 2 2 340.467 3.429 20 0 EGADLP CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000474276404 458874401 /nfs/dbraw/zinc/87/44/01/458874401.db2.gz RCGBYSFPGHVOCX-HXUWFJFHSA-N 2 2 340.467 3.429 20 0 EGADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000518528147 458875177 /nfs/dbraw/zinc/87/51/77/458875177.db2.gz QRAMSBOCLHHMGN-QAPCUYQASA-N 2 2 347.503 3.043 20 0 EGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)c2C1 ZINC000518543926 458877946 /nfs/dbraw/zinc/87/79/46/458877946.db2.gz XKZHZPWYHSGRGK-MRXNPFEDSA-N 2 2 338.455 3.118 20 0 EGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)c2C1 ZINC000518543926 458877949 /nfs/dbraw/zinc/87/79/49/458877949.db2.gz XKZHZPWYHSGRGK-MRXNPFEDSA-N 2 2 338.455 3.118 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000466906242 458931477 /nfs/dbraw/zinc/93/14/77/458931477.db2.gz JXGKOCVGXQPXQC-STZQEDGTSA-N 2 2 338.495 3.151 20 0 EGADLP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000466906242 458931483 /nfs/dbraw/zinc/93/14/83/458931483.db2.gz JXGKOCVGXQPXQC-STZQEDGTSA-N 2 2 338.495 3.151 20 0 EGADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495746828 458938555 /nfs/dbraw/zinc/93/85/55/458938555.db2.gz DYFCRVWHKWJROL-GTPINHCMSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495746828 458938564 /nfs/dbraw/zinc/93/85/64/458938564.db2.gz DYFCRVWHKWJROL-GTPINHCMSA-N 2 2 339.524 3.001 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631731 458957105 /nfs/dbraw/zinc/95/71/05/458957105.db2.gz ONZDEZUQMDMMRD-GUYCJALGSA-N 2 2 342.405 3.243 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475631731 458957110 /nfs/dbraw/zinc/95/71/10/458957110.db2.gz ONZDEZUQMDMMRD-GUYCJALGSA-N 2 2 342.405 3.243 20 0 EGADLP CCOC(=O)[C@H](CC)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324796 459015763 /nfs/dbraw/zinc/01/57/63/459015763.db2.gz YEQQEMSNNWHMHU-RDJZCZTQSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@H](CC)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000577324796 459015768 /nfs/dbraw/zinc/01/57/68/459015768.db2.gz YEQQEMSNNWHMHU-RDJZCZTQSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@H](CC)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577324796 459015774 /nfs/dbraw/zinc/01/57/74/459015774.db2.gz YEQQEMSNNWHMHU-RDJZCZTQSA-N 2 2 338.517 3.152 20 0 EGADLP CCOC(=O)[C@H](CC)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577324796 459015778 /nfs/dbraw/zinc/01/57/78/459015778.db2.gz YEQQEMSNNWHMHU-RDJZCZTQSA-N 2 2 338.517 3.152 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCc3c[nH+]cn3C)C2)s1 ZINC000577383647 459025034 /nfs/dbraw/zinc/02/50/34/459025034.db2.gz DCEQRBVOAZULBP-KRWDZBQOSA-N 3 2 346.544 3.177 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCc3c[nH+]cn3C)C2)s1 ZINC000577383647 459025041 /nfs/dbraw/zinc/02/50/41/459025041.db2.gz DCEQRBVOAZULBP-KRWDZBQOSA-N 3 2 346.544 3.177 20 0 EGADLP Cc1cccn2c(C[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)c[nH+]c12 ZINC000567004898 459032935 /nfs/dbraw/zinc/03/29/35/459032935.db2.gz HHQWOBLSXCZWDB-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP Cc1cccn2c(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)c[nH+]c12 ZINC000567004898 459032938 /nfs/dbraw/zinc/03/29/38/459032938.db2.gz HHQWOBLSXCZWDB-SFHVURJKSA-N 2 2 332.451 3.280 20 0 EGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(Cl)cc2Cl)CC1 ZINC000557339600 459064657 /nfs/dbraw/zinc/06/46/57/459064657.db2.gz WZOKXYPNUMRSPF-GOEBONIOSA-N 2 2 344.286 3.107 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000532378070 459076814 /nfs/dbraw/zinc/07/68/14/459076814.db2.gz QAKOSMXVAFWYMR-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000532378070 459076816 /nfs/dbraw/zinc/07/68/16/459076816.db2.gz QAKOSMXVAFWYMR-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000532378070 459076818 /nfs/dbraw/zinc/07/68/18/459076818.db2.gz QAKOSMXVAFWYMR-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000532378070 459076820 /nfs/dbraw/zinc/07/68/20/459076820.db2.gz QAKOSMXVAFWYMR-IBGZPJMESA-N 2 2 335.923 3.332 20 0 EGADLP CC(C)[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000594522317 459078330 /nfs/dbraw/zinc/07/83/30/459078330.db2.gz PMQHAUZHIDDMMO-QGZVFWFLSA-N 2 2 347.503 3.254 20 0 EGADLP c1onc(Cc2ccccc2)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000557704298 459102228 /nfs/dbraw/zinc/10/22/28/459102228.db2.gz KHHALYBBJBNBOC-LJQANCHMSA-N 2 2 335.407 3.314 20 0 EGADLP c1onc(Cc2ccccc2)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000557704298 459102234 /nfs/dbraw/zinc/10/22/34/459102234.db2.gz KHHALYBBJBNBOC-LJQANCHMSA-N 2 2 335.407 3.314 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000577841440 459105452 /nfs/dbraw/zinc/10/54/52/459105452.db2.gz OCFLIJIPNUEMQP-OAHLLOKOSA-N 2 2 335.467 3.173 20 0 EGADLP Cc1ccc2cc[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)nc3)c2c1 ZINC000567466771 459111130 /nfs/dbraw/zinc/11/11/30/459111130.db2.gz DOHTTYPFDNTXGN-UHFFFAOYSA-N 2 2 347.466 3.302 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000479285682 459131948 /nfs/dbraw/zinc/13/19/48/459131948.db2.gz QCFRWDVBUHEQJX-WBMJQRKESA-N 2 2 325.294 3.310 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000594750100 459150667 /nfs/dbraw/zinc/15/06/67/459150667.db2.gz XUCYMJNPRQWQON-AZUAARDMSA-N 2 2 343.515 3.033 20 0 EGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000594750100 459150675 /nfs/dbraw/zinc/15/06/75/459150675.db2.gz XUCYMJNPRQWQON-AZUAARDMSA-N 2 2 343.515 3.033 20 0 EGADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000578146914 459153541 /nfs/dbraw/zinc/15/35/41/459153541.db2.gz INZJLIAARGRTFB-AWEZNQCLSA-N 2 2 325.294 3.236 20 0 EGADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000578146914 459153544 /nfs/dbraw/zinc/15/35/44/459153544.db2.gz INZJLIAARGRTFB-AWEZNQCLSA-N 2 2 325.294 3.236 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000567763766 459163527 /nfs/dbraw/zinc/16/35/27/459163527.db2.gz PDANODNWGOLJMH-QUCCMNQESA-N 2 2 326.488 3.445 20 0 EGADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1C ZINC000567763766 459163532 /nfs/dbraw/zinc/16/35/32/459163532.db2.gz PDANODNWGOLJMH-QUCCMNQESA-N 2 2 326.488 3.445 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000558790830 459211189 /nfs/dbraw/zinc/21/11/89/459211189.db2.gz WTASRHAYVBZGKG-KOUHRCEDSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000558790830 459211196 /nfs/dbraw/zinc/21/11/96/459211196.db2.gz WTASRHAYVBZGKG-KOUHRCEDSA-N 2 2 330.516 3.487 20 0 EGADLP COc1ccccc1[C@@H](CNCc1[nH]c(C)c(C)[nH+]1)[NH+]1CCCCC1 ZINC000578523762 459214807 /nfs/dbraw/zinc/21/48/07/459214807.db2.gz PISWRFFGOCZVSB-GOSISDBHSA-N 2 2 342.487 3.352 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310014 459220017 /nfs/dbraw/zinc/22/00/17/459220017.db2.gz BWYNVKYORJBOHQ-HINLZNOGSA-N 2 2 332.532 3.436 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310014 459220022 /nfs/dbraw/zinc/22/00/22/459220022.db2.gz BWYNVKYORJBOHQ-HINLZNOGSA-N 2 2 332.532 3.436 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310014 459220029 /nfs/dbraw/zinc/22/00/29/459220029.db2.gz BWYNVKYORJBOHQ-HINLZNOGSA-N 2 2 332.532 3.436 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000533310014 459220034 /nfs/dbraw/zinc/22/00/34/459220034.db2.gz BWYNVKYORJBOHQ-HINLZNOGSA-N 2 2 332.532 3.436 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866379 459274899 /nfs/dbraw/zinc/27/48/99/459274899.db2.gz CEZZERRQGMYGND-MRXNPFEDSA-N 2 2 340.471 3.280 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866379 459274901 /nfs/dbraw/zinc/27/49/01/459274901.db2.gz CEZZERRQGMYGND-MRXNPFEDSA-N 2 2 340.471 3.280 20 0 EGADLP Fc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000559761177 459276452 /nfs/dbraw/zinc/27/64/52/459276452.db2.gz XEIMGRLBLKMXCY-INIZCTEOSA-N 2 2 326.843 3.166 20 0 EGADLP Fc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000559761177 459276456 /nfs/dbraw/zinc/27/64/56/459276456.db2.gz XEIMGRLBLKMXCY-INIZCTEOSA-N 2 2 326.843 3.166 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000534111063 459290846 /nfs/dbraw/zinc/29/08/46/459290846.db2.gz TUGXXOPXOYLBEK-UHFFFAOYSA-N 2 2 334.467 3.328 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082263 459308947 /nfs/dbraw/zinc/30/89/47/459308947.db2.gz MQVYHRZEPUUFFE-IRXDYDNUSA-N 2 2 326.444 3.164 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082263 459308953 /nfs/dbraw/zinc/30/89/53/459308953.db2.gz MQVYHRZEPUUFFE-IRXDYDNUSA-N 2 2 326.444 3.164 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000591082963 459310179 /nfs/dbraw/zinc/31/01/79/459310179.db2.gz LUBVNXIYPKHFNX-ZDUSSCGKSA-N 2 2 343.818 3.424 20 0 EGADLP Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000591082963 459310182 /nfs/dbraw/zinc/31/01/82/459310182.db2.gz LUBVNXIYPKHFNX-ZDUSSCGKSA-N 2 2 343.818 3.424 20 0 EGADLP CCc1ccc([C@H](CNC(=O)Nc2cc(C)[nH+]cc2C)[NH+](C)C)cc1 ZINC000534324706 459313455 /nfs/dbraw/zinc/31/34/55/459313455.db2.gz WYHIKNLQXPBMNZ-IBGZPJMESA-N 2 2 340.471 3.107 20 0 EGADLP CC[C@H]([NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCOC1 ZINC000482710107 459322629 /nfs/dbraw/zinc/32/26/29/459322629.db2.gz CZWFNRKEYASQPL-ROUUACIJSA-N 2 2 338.536 3.205 20 0 EGADLP CC[C@H]([NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[C@H]1CCOC1 ZINC000482710107 459322633 /nfs/dbraw/zinc/32/26/33/459322633.db2.gz CZWFNRKEYASQPL-ROUUACIJSA-N 2 2 338.536 3.205 20 0 EGADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508989 459328581 /nfs/dbraw/zinc/32/85/81/459328581.db2.gz MWBINUUTTYLJTO-IBGZPJMESA-N 2 2 332.488 3.218 20 0 EGADLP COC(=O)c1ccc([C@H](C)[NH+]2CCC([NH2+]Cc3ccccc3)CC2)o1 ZINC000595510569 459330056 /nfs/dbraw/zinc/33/00/56/459330056.db2.gz MVXNAVVZUTXLDU-HNNXBMFYSA-N 2 2 342.439 3.381 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591458060 459385865 /nfs/dbraw/zinc/38/58/65/459385865.db2.gz RXZXSHNSRIDAIE-OALUTQOASA-N 2 2 340.471 3.130 20 0 EGADLP C[C@@H]1CCC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000540808323 459389072 /nfs/dbraw/zinc/38/90/72/459389072.db2.gz RHLIQIQVTYORRY-CVEARBPZSA-N 2 2 342.487 3.428 20 0 EGADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000497001726 459400655 /nfs/dbraw/zinc/40/06/55/459400655.db2.gz KERUTVYDEPAIEU-ARFHVFGLSA-N 2 2 336.480 3.039 20 0 EGADLP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000569446594 459452972 /nfs/dbraw/zinc/45/29/72/459452972.db2.gz CPSSYXAIVSLPMM-IRXDYDNUSA-N 2 2 347.507 3.187 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469094 459457292 /nfs/dbraw/zinc/45/72/92/459457292.db2.gz NBYWKOLKHBTJHZ-PMACEKPBSA-N 2 2 348.437 3.151 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000569469094 459457296 /nfs/dbraw/zinc/45/72/96/459457296.db2.gz NBYWKOLKHBTJHZ-PMACEKPBSA-N 2 2 348.437 3.151 20 0 EGADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000569470563 459458903 /nfs/dbraw/zinc/45/89/03/459458903.db2.gz CNGSKBNIYFEISA-UHFFFAOYSA-N 2 2 332.419 3.022 20 0 EGADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1nnc2n1CCCCC2 ZINC000583316358 459518552 /nfs/dbraw/zinc/51/85/52/459518552.db2.gz RRBDQXYOBSMKGO-IKGGRYGDSA-N 2 2 333.524 3.356 20 0 EGADLP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)c2)cc1 ZINC000569919307 459531362 /nfs/dbraw/zinc/53/13/62/459531362.db2.gz YONAKGSPZMCQNR-OXQOHEQNSA-N 2 2 337.467 3.335 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280738 459543972 /nfs/dbraw/zinc/54/39/72/459543972.db2.gz POQVLVSLYIWNGO-AZUAARDMSA-N 2 2 347.934 3.429 20 0 EGADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000542280738 459543974 /nfs/dbraw/zinc/54/39/74/459543974.db2.gz POQVLVSLYIWNGO-AZUAARDMSA-N 2 2 347.934 3.429 20 0 EGADLP CC[C@H]([NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C)C1(C(=O)OC)CCC1 ZINC000497823179 459558315 /nfs/dbraw/zinc/55/83/15/459558315.db2.gz ZXLODDGEWVLGAR-MSOLQXFVSA-N 2 2 332.488 3.309 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(C(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000526981869 459570864 /nfs/dbraw/zinc/57/08/64/459570864.db2.gz VDVSACDJTBAHGU-FQEVSTJZSA-N 2 2 346.421 3.351 20 0 EGADLP O[C@]1(C[NH2+]Cc2ccc(C(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000526981869 459570865 /nfs/dbraw/zinc/57/08/65/459570865.db2.gz VDVSACDJTBAHGU-FQEVSTJZSA-N 2 2 346.421 3.351 20 0 EGADLP O=C1CC[NH+](CCCCC[N@H+]2CCC(=O)CC23CCC3)C2(CCC2)C1 ZINC000572896970 459592373 /nfs/dbraw/zinc/59/23/73/459592373.db2.gz AGAVEGMLCILYEX-UHFFFAOYSA-N 2 2 346.515 3.332 20 0 EGADLP O=C1CC[NH+](CCCCC[N@@H+]2CCC(=O)CC23CCC3)C2(CCC2)C1 ZINC000572896970 459592378 /nfs/dbraw/zinc/59/23/78/459592378.db2.gz AGAVEGMLCILYEX-UHFFFAOYSA-N 2 2 346.515 3.332 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000498819984 459606518 /nfs/dbraw/zinc/60/65/18/459606518.db2.gz WGEDXQZWPIKWFR-LJQANCHMSA-N 2 2 349.563 3.221 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000498819984 459606524 /nfs/dbraw/zinc/60/65/24/459606524.db2.gz WGEDXQZWPIKWFR-LJQANCHMSA-N 2 2 349.563 3.221 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471165 459609048 /nfs/dbraw/zinc/60/90/48/459609048.db2.gz DQKQOMUIOAPZDN-UHFFFAOYSA-N 2 2 344.480 3.404 20 0 EGADLP COC(=O)c1sc2ccccc2c1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471165 459609051 /nfs/dbraw/zinc/60/90/51/459609051.db2.gz DQKQOMUIOAPZDN-UHFFFAOYSA-N 2 2 344.480 3.404 20 0 EGADLP Clc1ccc(-c2cc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)on2)cc1 ZINC000583987626 459630004 /nfs/dbraw/zinc/63/00/04/459630004.db2.gz PKSYLJMSHOYHQK-UHFFFAOYSA-N 2 2 343.818 3.040 20 0 EGADLP c1cc(C2CCCC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583986914 459630042 /nfs/dbraw/zinc/63/00/42/459630042.db2.gz PKHLJILNHNGMOH-IBGZPJMESA-N 2 2 328.500 3.498 20 0 EGADLP c1cc(C2CCCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583986914 459630045 /nfs/dbraw/zinc/63/00/45/459630045.db2.gz PKHLJILNHNGMOH-IBGZPJMESA-N 2 2 328.500 3.498 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccsc2C(F)(F)F)C[C@H](C)O1 ZINC000527633068 459679043 /nfs/dbraw/zinc/67/90/43/459679043.db2.gz LWNSPKNPEPWUIU-TXEJJXNPSA-N 2 2 336.423 3.356 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccsc2C(F)(F)F)C[C@H](C)O1 ZINC000527633068 459679048 /nfs/dbraw/zinc/67/90/48/459679048.db2.gz LWNSPKNPEPWUIU-TXEJJXNPSA-N 2 2 336.423 3.356 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000584433326 459736317 /nfs/dbraw/zinc/73/63/17/459736317.db2.gz VUQCYBUJZHJRLQ-QWHCGFSZSA-N 2 2 343.284 3.451 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000584433326 459736319 /nfs/dbraw/zinc/73/63/19/459736319.db2.gz VUQCYBUJZHJRLQ-QWHCGFSZSA-N 2 2 343.284 3.451 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCN(c3cc(Cl)ccc3C)C2)n1C ZINC000573863007 459748230 /nfs/dbraw/zinc/74/82/30/459748230.db2.gz FQFNBPDSRHBDNL-HNNXBMFYSA-N 2 2 332.879 3.306 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCN(c3cc(Cl)ccc3C)C2)n1C ZINC000573863008 459748445 /nfs/dbraw/zinc/74/84/45/459748445.db2.gz FQFNBPDSRHBDNL-OAHLLOKOSA-N 2 2 332.879 3.306 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978514 459764404 /nfs/dbraw/zinc/76/44/04/459764404.db2.gz BCJNWHZXJXKCNN-GOEBONIOSA-N 2 2 337.427 3.329 20 0 EGADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)o2)cc1 ZINC000573978514 459764406 /nfs/dbraw/zinc/76/44/06/459764406.db2.gz BCJNWHZXJXKCNN-GOEBONIOSA-N 2 2 337.427 3.329 20 0 EGADLP COc1ccc[nH+]c1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000527883165 459765955 /nfs/dbraw/zinc/76/59/55/459765955.db2.gz UKJXCLWXZBVJEG-UHFFFAOYSA-N 2 2 325.456 3.439 20 0 EGADLP COc1ccc[nH+]c1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000527883165 459765957 /nfs/dbraw/zinc/76/59/57/459765957.db2.gz UKJXCLWXZBVJEG-UHFFFAOYSA-N 2 2 325.456 3.439 20 0 EGADLP CCCOc1cccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000566018030 459794360 /nfs/dbraw/zinc/79/43/60/459794360.db2.gz RWKSSSCUWNTDMR-KRWDZBQOSA-N 2 2 332.488 3.161 20 0 EGADLP CCCC[C@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000545242305 459814531 /nfs/dbraw/zinc/81/45/31/459814531.db2.gz YFDGGKWHXVZWRR-HNNXBMFYSA-N 2 2 330.476 3.428 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609595517 459990351 /nfs/dbraw/zinc/99/03/51/459990351.db2.gz JOSNKFHCVLIKDR-OAHLLOKOSA-N 2 2 341.455 3.378 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000575860079 460018345 /nfs/dbraw/zinc/01/83/45/460018345.db2.gz JCKDOZOOXVSKNB-RDTXWAMCSA-N 2 2 344.484 3.007 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000602647157 460042187 /nfs/dbraw/zinc/04/21/87/460042187.db2.gz IBNQPSOALNHHEW-VUMVONDWSA-N 2 2 346.540 3.245 20 0 EGADLP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000602647157 460042195 /nfs/dbraw/zinc/04/21/95/460042195.db2.gz IBNQPSOALNHHEW-VUMVONDWSA-N 2 2 346.540 3.245 20 0 EGADLP CC(=O)N1CC[C@H]([NH2+]CCc2cn3c(cccc3C)[nH+]2)c2ccccc21 ZINC000621764978 460057403 /nfs/dbraw/zinc/05/74/03/460057403.db2.gz PQUPFKVTKDKZRZ-IBGZPJMESA-N 2 2 348.450 3.273 20 0 EGADLP CCCC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914600 460114384 /nfs/dbraw/zinc/11/43/84/460114384.db2.gz BOWHRKZIUDARIX-RTBURBONSA-N 2 2 337.552 3.076 20 0 EGADLP CCCC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000621914600 460114391 /nfs/dbraw/zinc/11/43/91/460114391.db2.gz BOWHRKZIUDARIX-RTBURBONSA-N 2 2 337.552 3.076 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402212 460134267 /nfs/dbraw/zinc/13/42/67/460134267.db2.gz CLVRFKHDSSSAPT-SFHVURJKSA-N 3 2 335.561 3.296 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402212 460134269 /nfs/dbraw/zinc/13/42/69/460134269.db2.gz CLVRFKHDSSSAPT-SFHVURJKSA-N 3 2 335.561 3.296 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402212 460134272 /nfs/dbraw/zinc/13/42/72/460134272.db2.gz CLVRFKHDSSSAPT-SFHVURJKSA-N 3 2 335.561 3.296 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC[NH+]3CCCC3)C2)s1 ZINC000576402212 460134278 /nfs/dbraw/zinc/13/42/78/460134278.db2.gz CLVRFKHDSSSAPT-SFHVURJKSA-N 3 2 335.561 3.296 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004148 460158167 /nfs/dbraw/zinc/15/81/67/460158167.db2.gz LHUHJRXXUDNERR-MAUKXSAKSA-N 2 2 330.863 3.147 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004148 460158174 /nfs/dbraw/zinc/15/81/74/460158174.db2.gz LHUHJRXXUDNERR-MAUKXSAKSA-N 2 2 330.863 3.147 20 0 EGADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000622044779 460169900 /nfs/dbraw/zinc/16/99/00/460169900.db2.gz SGETVUPOESSGHB-GXFFZTMASA-N 2 2 333.220 3.258 20 0 EGADLP Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1Oc1cc[nH+]cc1 ZINC000615308360 460307908 /nfs/dbraw/zinc/30/79/08/460307908.db2.gz MHWDLLOMAVEQFX-MAUKXSAKSA-N 2 2 339.439 3.347 20 0 EGADLP c1coc(-c2nc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cs2)c1 ZINC000603516754 460315193 /nfs/dbraw/zinc/31/51/93/460315193.db2.gz DADGOPNFGMMRSM-INIZCTEOSA-N 2 2 347.484 3.136 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000623088940 460408784 /nfs/dbraw/zinc/40/87/84/460408784.db2.gz MPFNUQBTKYMLJA-UHFFFAOYSA-N 2 2 342.821 3.054 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4ncccc43)[nH+]c2)C1 ZINC000631612738 460472540 /nfs/dbraw/zinc/47/25/40/460472540.db2.gz YLGRPBQVOIFPBT-LPHOPBHVSA-N 2 2 337.471 3.106 20 0 EGADLP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000631678644 460504687 /nfs/dbraw/zinc/50/46/87/460504687.db2.gz GKYPYUNTXOLDIW-OAQYLSRUSA-N 2 2 345.531 3.357 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ncc1Br ZINC000623381511 460518424 /nfs/dbraw/zinc/51/84/24/460518424.db2.gz XDKYTKRULRCRCT-UHFFFAOYSA-N 2 2 338.293 3.259 20 0 EGADLP c1nc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000623866423 460750506 /nfs/dbraw/zinc/75/05/06/460750506.db2.gz VPOYJCBHOBLYHI-MRXNPFEDSA-N 2 2 328.485 3.170 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534521 460799520 /nfs/dbraw/zinc/79/95/20/460799520.db2.gz ADDXXMALTIWEIA-ZFWWWQNUSA-N 2 2 339.886 3.174 20 0 EGADLP C[C@H]1CC[C@H](NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)C[NH2+]1 ZINC000629534521 460799522 /nfs/dbraw/zinc/79/95/22/460799522.db2.gz ADDXXMALTIWEIA-ZFWWWQNUSA-N 2 2 339.886 3.174 20 0 EGADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000629548799 460804113 /nfs/dbraw/zinc/80/41/13/460804113.db2.gz YOLPVPHLJIHIJF-INWMFGNUSA-N 2 2 325.859 3.178 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccccc1Oc1cccc(F)c1)C[NH+]1CCCC1 ZINC000629561502 460808876 /nfs/dbraw/zinc/80/88/76/460808876.db2.gz IDDIIKFMMDVOOC-SFHVURJKSA-N 2 2 344.430 3.164 20 0 EGADLP CC(C)C[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549040 460828063 /nfs/dbraw/zinc/82/80/63/460828063.db2.gz YTWLOQUEXVXJQQ-HKUYNNGSSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549040 460828067 /nfs/dbraw/zinc/82/80/67/460828067.db2.gz YTWLOQUEXVXJQQ-HKUYNNGSSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549042 460828487 /nfs/dbraw/zinc/82/84/87/460828487.db2.gz YTWLOQUEXVXJQQ-MJGOQNOKSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549042 460828495 /nfs/dbraw/zinc/82/84/95/460828495.db2.gz YTWLOQUEXVXJQQ-MJGOQNOKSA-N 2 2 342.487 3.107 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635556076 460831401 /nfs/dbraw/zinc/83/14/01/460831401.db2.gz MOPPNWMVRLOYPF-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635556076 460831406 /nfs/dbraw/zinc/83/14/06/460831406.db2.gz MOPPNWMVRLOYPF-UHFFFAOYSA-N 2 2 342.487 3.227 20 0 EGADLP c1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)nc1 ZINC000624105245 460863169 /nfs/dbraw/zinc/86/31/69/460863169.db2.gz HQVLSVZPKODPJB-UYAOXDASSA-N 2 2 329.488 3.156 20 0 EGADLP C[NH+](C)CCc1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)cc1 ZINC000629733099 460895563 /nfs/dbraw/zinc/89/55/63/460895563.db2.gz ZGRKSSYPPPELKS-UHFFFAOYSA-N 2 2 339.483 3.113 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000607946402 460945240 /nfs/dbraw/zinc/94/52/40/460945240.db2.gz CZKMSEZKFZRSPF-QAPCUYQASA-N 2 2 349.906 3.030 20 0 EGADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000607946402 460945245 /nfs/dbraw/zinc/94/52/45/460945245.db2.gz CZKMSEZKFZRSPF-QAPCUYQASA-N 2 2 349.906 3.030 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000630072991 461014624 /nfs/dbraw/zinc/01/46/24/461014624.db2.gz OPVKPMNAIYMKGC-UHFFFAOYSA-N 2 2 329.488 3.485 20 0 EGADLP CCC1([NH+]2CCCC2)CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000633286420 461035642 /nfs/dbraw/zinc/03/56/42/461035642.db2.gz NKMGQZCEGPIPPC-UHFFFAOYSA-N 2 2 344.503 3.248 20 0 EGADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000641111750 461117067 /nfs/dbraw/zinc/11/70/67/461117067.db2.gz GCMCPXPDXQVVHC-LJQANCHMSA-N 2 2 335.455 3.396 20 0 EGADLP Cc1cn2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2[nH+]1 ZINC000668151293 461137629 /nfs/dbraw/zinc/13/76/29/461137629.db2.gz ZTJDDXKCQKKEJR-AWEZNQCLSA-N 2 2 343.456 3.129 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1 ZINC000652351560 461146744 /nfs/dbraw/zinc/14/67/44/461146744.db2.gz GGXQWVHYBFPCMB-VCBZYWHSSA-N 2 2 349.906 3.345 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1 ZINC000652351560 461146751 /nfs/dbraw/zinc/14/67/51/461146751.db2.gz GGXQWVHYBFPCMB-VCBZYWHSSA-N 2 2 349.906 3.345 20 0 EGADLP Cc1cc(-c2noc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)ccc1F ZINC000652356002 461151076 /nfs/dbraw/zinc/15/10/76/461151076.db2.gz PSQSBRQTAUDZAR-LRDDRELGSA-N 2 2 332.423 3.133 20 0 EGADLP Cc1cc(-c2noc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])n2)ccc1F ZINC000652356002 461151085 /nfs/dbraw/zinc/15/10/85/461151085.db2.gz PSQSBRQTAUDZAR-LRDDRELGSA-N 2 2 332.423 3.133 20 0 EGADLP CCC(C)(C)[NH+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000655271303 461158070 /nfs/dbraw/zinc/15/80/70/461158070.db2.gz XLTUOAXWMKMSGD-UHFFFAOYSA-N 2 2 342.487 3.068 20 0 EGADLP Fc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277120 461160681 /nfs/dbraw/zinc/16/06/81/461160681.db2.gz ROLFJJOYSZMYSJ-DOMZBBRYSA-N 2 2 328.378 3.391 20 0 EGADLP Fc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000662277120 461160689 /nfs/dbraw/zinc/16/06/89/461160689.db2.gz ROLFJJOYSZMYSJ-DOMZBBRYSA-N 2 2 328.378 3.391 20 0 EGADLP Brc1scnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273501 461161258 /nfs/dbraw/zinc/16/12/58/461161258.db2.gz NTQOMKCEHZBKGR-NWDGAFQWSA-N 2 2 344.322 3.117 20 0 EGADLP Brc1scnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662273501 461161259 /nfs/dbraw/zinc/16/12/59/461161259.db2.gz NTQOMKCEHZBKGR-NWDGAFQWSA-N 2 2 344.322 3.117 20 0 EGADLP [NH3+][C@@H]1C[N@H+](CCc2nsc3ccccc32)C[C@H]1c1ccccc1F ZINC000662280979 461163557 /nfs/dbraw/zinc/16/35/57/461163557.db2.gz JLKBLWIMVBQGPU-DOTOQJQBSA-N 2 2 341.455 3.405 20 0 EGADLP [NH3+][C@@H]1C[N@@H+](CCc2nsc3ccccc32)C[C@H]1c1ccccc1F ZINC000662280979 461163565 /nfs/dbraw/zinc/16/35/65/461163565.db2.gz JLKBLWIMVBQGPU-DOTOQJQBSA-N 2 2 341.455 3.405 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980733 461169103 /nfs/dbraw/zinc/16/91/03/461169103.db2.gz ZVJWXQDNHZFNQK-LMMKCTJWSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980733 461169111 /nfs/dbraw/zinc/16/91/11/461169111.db2.gz ZVJWXQDNHZFNQK-LMMKCTJWSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980733 461169119 /nfs/dbraw/zinc/16/91/19/461169119.db2.gz ZVJWXQDNHZFNQK-LMMKCTJWSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@H](c2nccn2C)C2CC2)C1 ZINC000637980733 461169125 /nfs/dbraw/zinc/16/91/25/461169125.db2.gz ZVJWXQDNHZFNQK-LMMKCTJWSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980734 461169464 /nfs/dbraw/zinc/16/94/64/461169464.db2.gz ZVJWXQDNHZFNQK-ZHALLVOQSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980734 461169470 /nfs/dbraw/zinc/16/94/70/461169470.db2.gz ZVJWXQDNHZFNQK-ZHALLVOQSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980734 461169475 /nfs/dbraw/zinc/16/94/75/461169475.db2.gz ZVJWXQDNHZFNQK-ZHALLVOQSA-N 2 2 330.520 3.458 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000637980734 461169482 /nfs/dbraw/zinc/16/94/82/461169482.db2.gz ZVJWXQDNHZFNQK-ZHALLVOQSA-N 2 2 330.520 3.458 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603270 461212360 /nfs/dbraw/zinc/21/23/60/461212360.db2.gz DIMHHNFHCGIKSL-INIZCTEOSA-N 2 2 344.528 3.153 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603270 461212367 /nfs/dbraw/zinc/21/23/67/461212367.db2.gz DIMHHNFHCGIKSL-INIZCTEOSA-N 2 2 344.528 3.153 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603270 461212375 /nfs/dbraw/zinc/21/23/75/461212375.db2.gz DIMHHNFHCGIKSL-INIZCTEOSA-N 2 2 344.528 3.153 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc4n(n3)CCC4)C2)s1 ZINC000649603270 461212384 /nfs/dbraw/zinc/21/23/84/461212384.db2.gz DIMHHNFHCGIKSL-INIZCTEOSA-N 2 2 344.528 3.153 20 0 EGADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000662388361 461228496 /nfs/dbraw/zinc/22/84/96/461228496.db2.gz NRUVCUVHCLNBHU-SFHVURJKSA-N 2 2 346.519 3.089 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128254 461259759 /nfs/dbraw/zinc/25/97/59/461259759.db2.gz RAWGWBKXLLCNCQ-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128254 461259766 /nfs/dbraw/zinc/25/97/66/461259766.db2.gz RAWGWBKXLLCNCQ-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128254 461259774 /nfs/dbraw/zinc/25/97/74/461259774.db2.gz RAWGWBKXLLCNCQ-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC000638128254 461259779 /nfs/dbraw/zinc/25/97/79/461259779.db2.gz RAWGWBKXLLCNCQ-CYBMUJFWSA-N 2 2 326.868 3.218 20 0 EGADLP CCOC1CC(CNc2cc(C(C)(C)C)cc[nH+]2)([NH+]2CCOCC2)C1 ZINC000641540202 461279487 /nfs/dbraw/zinc/27/94/87/461279487.db2.gz XGXLKJDLBHGGNY-UHFFFAOYSA-N 2 2 347.503 3.061 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638170676 461286605 /nfs/dbraw/zinc/28/66/05/461286605.db2.gz HRUZKTCZZDMSGR-ZTFGCOKTSA-N 2 2 341.455 3.471 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)CC2 ZINC000638170676 461286609 /nfs/dbraw/zinc/28/66/09/461286609.db2.gz HRUZKTCZZDMSGR-ZTFGCOKTSA-N 2 2 341.455 3.471 20 0 EGADLP CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000665822014 461291152 /nfs/dbraw/zinc/29/11/52/461291152.db2.gz ZXUKZYGWFCKXAC-UHFFFAOYSA-N 2 2 341.459 3.102 20 0 EGADLP CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000665822014 461291160 /nfs/dbraw/zinc/29/11/60/461291160.db2.gz ZXUKZYGWFCKXAC-UHFFFAOYSA-N 2 2 341.459 3.102 20 0 EGADLP COc1cccc(OC)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638183598 461294045 /nfs/dbraw/zinc/29/40/45/461294045.db2.gz VAXXCLXYIAKTBB-YJBOKZPZSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638183598 461294051 /nfs/dbraw/zinc/29/40/51/461294051.db2.gz VAXXCLXYIAKTBB-YJBOKZPZSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638183598 461294062 /nfs/dbraw/zinc/29/40/62/461294062.db2.gz VAXXCLXYIAKTBB-YJBOKZPZSA-N 2 2 330.472 3.153 20 0 EGADLP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638183598 461294065 /nfs/dbraw/zinc/29/40/65/461294065.db2.gz VAXXCLXYIAKTBB-YJBOKZPZSA-N 2 2 330.472 3.153 20 0 EGADLP [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000638232927 461321556 /nfs/dbraw/zinc/32/15/56/461321556.db2.gz HYIQQQCOVGPXAF-UHFFFAOYSA-N 2 2 326.444 3.058 20 0 EGADLP Cc1ccc(C[NH+]2CCOCC2)cc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638257489 461336399 /nfs/dbraw/zinc/33/63/99/461336399.db2.gz BOHSWXGNABLRBD-IBGZPJMESA-N 2 2 340.471 3.124 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)c1ccccc1 ZINC000638288150 461347408 /nfs/dbraw/zinc/34/74/08/461347408.db2.gz ZZJZTSAJWGHUCW-QXAKKESOSA-N 2 2 331.504 3.106 20 0 EGADLP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000662694043 461348869 /nfs/dbraw/zinc/34/88/69/461348869.db2.gz WNFQNFNDDRQHDL-KRWDZBQOSA-N 2 2 338.455 3.213 20 0 EGADLP O=C(NCC12CC(C1)C[NH2+]2)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000662720145 461355313 /nfs/dbraw/zinc/35/53/13/461355313.db2.gz UBLCTECTVXDXGN-UHFFFAOYSA-N 2 2 343.814 3.009 20 0 EGADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc1 ZINC000641766134 461359482 /nfs/dbraw/zinc/35/94/82/461359482.db2.gz HZTCMKSOOVXVKN-UHFFFAOYSA-N 2 2 327.447 3.326 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000655680491 461359417 /nfs/dbraw/zinc/35/94/17/461359417.db2.gz MXCXXWVNRFXWAQ-ZCQORQLVSA-N 2 2 332.532 3.434 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1F ZINC000655699544 461369822 /nfs/dbraw/zinc/36/98/22/461369822.db2.gz CGJNHGANXUDSPR-INIZCTEOSA-N 2 2 325.391 3.141 20 0 EGADLP c1ccc2c(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)nsc2c1 ZINC000641792197 461376118 /nfs/dbraw/zinc/37/61/18/461376118.db2.gz QITZQAPGVZKDGY-HNNXBMFYSA-N 2 2 331.485 3.029 20 0 EGADLP Cc1ncsc1C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C[C@H]1CC[NH2+]C1 ZINC000641798188 461377934 /nfs/dbraw/zinc/37/79/34/461377934.db2.gz MJLYZBWSIPSTSO-DLBZAZTESA-N 2 2 349.544 3.355 20 0 EGADLP Cc1ncsc1C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@H]1CC[NH2+]C1 ZINC000641798188 461377941 /nfs/dbraw/zinc/37/79/41/461377941.db2.gz MJLYZBWSIPSTSO-DLBZAZTESA-N 2 2 349.544 3.355 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cs2)cc1OC ZINC000641802314 461380623 /nfs/dbraw/zinc/38/06/23/461380623.db2.gz IZFAAOUBGXLILE-HZPDHXFCSA-N 2 2 347.484 3.043 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cs2)c(OC)c1 ZINC000641802049 461380824 /nfs/dbraw/zinc/38/08/24/461380824.db2.gz HHOZFROTZYNSOD-CVEARBPZSA-N 2 2 347.484 3.043 20 0 EGADLP Cc1cnc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)s1 ZINC000655720500 461388429 /nfs/dbraw/zinc/38/84/29/461388429.db2.gz YFOZHNWFWIKWLW-DLBZAZTESA-N 2 2 335.517 3.136 20 0 EGADLP c1cc(N2CCCCC2)[nH+]cc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655752623 461417982 /nfs/dbraw/zinc/41/79/82/461417982.db2.gz SGILYDLITFDJOG-IBGZPJMESA-N 2 2 344.503 3.127 20 0 EGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000668793952 461439190 /nfs/dbraw/zinc/43/91/90/461439190.db2.gz VRPJEDJMGSHKAC-UHFFFAOYSA-N 2 2 340.471 3.064 20 0 EGADLP Fc1ccccc1C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655780467 461441902 /nfs/dbraw/zinc/44/19/02/461441902.db2.gz ZUWRAYCCXIGPDK-KRWDZBQOSA-N 2 2 332.463 3.438 20 0 EGADLP Cc1cccc(Oc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)c1 ZINC000653058372 461479459 /nfs/dbraw/zinc/47/94/59/461479459.db2.gz PMYRFXINKBXSHH-GOSISDBHSA-N 2 2 327.428 3.005 20 0 EGADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495613 /nfs/dbraw/zinc/49/56/13/461495613.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[NH+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495625 /nfs/dbraw/zinc/49/56/25/461495625.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495634 /nfs/dbraw/zinc/49/56/34/461495634.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638587424 461495645 /nfs/dbraw/zinc/49/56/45/461495645.db2.gz CKXMLQISTJQCFT-SLYNCCJLSA-N 3 2 327.516 3.286 20 0 EGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000653092771 461497980 /nfs/dbraw/zinc/49/79/80/461497980.db2.gz KYMUIJHENHPXTA-DLBZAZTESA-N 2 2 337.895 3.063 20 0 EGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000653092774 461498048 /nfs/dbraw/zinc/49/80/48/461498048.db2.gz KYMUIJHENHPXTA-SJORKVTESA-N 2 2 337.895 3.063 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000655851175 461499818 /nfs/dbraw/zinc/49/98/18/461499818.db2.gz BRLPDYGIKMJEMU-OAHLLOKOSA-N 2 2 334.426 3.485 20 0 EGADLP C[C@H]([NH2+]C1(C[NH2+]CCC2CCOCC2)CCOCC1)c1ccccc1 ZINC000638642995 461516342 /nfs/dbraw/zinc/51/63/42/461516342.db2.gz YBYHOVUVZAEYCB-SFHVURJKSA-N 2 2 346.515 3.293 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000666243688 461527534 /nfs/dbraw/zinc/52/75/34/461527534.db2.gz VMMDHNBUJBBMCX-BBWFWOEESA-N 2 2 338.442 3.178 20 0 EGADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[N@H+]1Cc1ccccc1 ZINC000666243688 461527540 /nfs/dbraw/zinc/52/75/40/461527540.db2.gz VMMDHNBUJBBMCX-BBWFWOEESA-N 2 2 338.442 3.178 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000638706546 461545500 /nfs/dbraw/zinc/54/55/00/461545500.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](C3CC3)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000638706546 461545507 /nfs/dbraw/zinc/54/55/07/461545507.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706546 461545512 /nfs/dbraw/zinc/54/55/12/461545512.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 3 2 327.516 3.427 20 0 EGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000638706546 461545515 /nfs/dbraw/zinc/54/55/15/461545515.db2.gz GKLWBBRHDGOQPV-VELGLUOQSA-N 3 2 327.516 3.427 20 0 EGADLP O[C@H]1CC[N@H+](Cc2cccc(N[C@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140076 461583458 /nfs/dbraw/zinc/58/34/58/461583458.db2.gz SEAMTBYJPKILCZ-ICSRJNTNSA-N 2 2 337.467 3.008 20 0 EGADLP O[C@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140076 461583464 /nfs/dbraw/zinc/58/34/64/461583464.db2.gz SEAMTBYJPKILCZ-ICSRJNTNSA-N 2 2 337.467 3.008 20 0 EGADLP O[C@@H]1CC[N@H+](Cc2cccc(N[C@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140075 461583856 /nfs/dbraw/zinc/58/38/56/461583856.db2.gz SEAMTBYJPKILCZ-AZUAARDMSA-N 2 2 337.467 3.008 20 0 EGADLP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCc4ccc[nH+]c4CC3)c2)C1 ZINC000631140075 461583867 /nfs/dbraw/zinc/58/38/67/461583867.db2.gz SEAMTBYJPKILCZ-AZUAARDMSA-N 2 2 337.467 3.008 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000631181251 461619210 /nfs/dbraw/zinc/61/92/10/461619210.db2.gz OJPXEQFKPBOTET-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000631181251 461619212 /nfs/dbraw/zinc/61/92/12/461619212.db2.gz OJPXEQFKPBOTET-ZDUSSCGKSA-N 2 2 326.868 3.179 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2ncc(C)cc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000656201778 461645318 /nfs/dbraw/zinc/64/53/18/461645318.db2.gz YWJOUSPDDMVBCU-RTWAWAEBSA-N 2 2 339.483 3.332 20 0 EGADLP COc1ccc([C@H]([NH2+]CCc2ncc(C)cc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000656201779 461646261 /nfs/dbraw/zinc/64/62/61/461646261.db2.gz YWJOUSPDDMVBCU-SFTDATJTSA-N 2 2 339.483 3.332 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cccc(-n4ccnn4)c3)cn21 ZINC000647364117 461659635 /nfs/dbraw/zinc/65/96/35/461659635.db2.gz SECSJLXBCUPSLB-MRXNPFEDSA-N 2 2 346.438 3.117 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000656256155 461677709 /nfs/dbraw/zinc/67/77/09/461677709.db2.gz TZKPCFYEYRNBGV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000656256155 461677717 /nfs/dbraw/zinc/67/77/17/461677717.db2.gz TZKPCFYEYRNBGV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000656256155 461677723 /nfs/dbraw/zinc/67/77/23/461677723.db2.gz TZKPCFYEYRNBGV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000656256155 461677732 /nfs/dbraw/zinc/67/77/32/461677732.db2.gz TZKPCFYEYRNBGV-APWZRJJASA-N 2 2 342.462 3.236 20 0 EGADLP CCc1nocc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000660270731 461678322 /nfs/dbraw/zinc/67/83/22/461678322.db2.gz VYAFLWBPZCSTKQ-IGOJGBNBSA-N 2 2 327.472 3.483 20 0 EGADLP CCc1nocc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000660270731 461678331 /nfs/dbraw/zinc/67/83/31/461678331.db2.gz VYAFLWBPZCSTKQ-IGOJGBNBSA-N 2 2 327.472 3.483 20 0 EGADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000663510412 461679386 /nfs/dbraw/zinc/67/93/86/461679386.db2.gz PIXSYTWUBJEXAQ-SKDRFNHKSA-N 2 2 344.299 3.256 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000663510044 461679917 /nfs/dbraw/zinc/67/99/17/461679917.db2.gz OEHJKTSBBRPQJI-KRWDZBQOSA-N 2 2 334.467 3.296 20 0 EGADLP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc21 ZINC000643317332 461682914 /nfs/dbraw/zinc/68/29/14/461682914.db2.gz DLQCMKSBZYMQDK-HXUWFJFHSA-N 2 2 334.467 3.328 20 0 EGADLP Cn1ncc2ccc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000643317332 461682925 /nfs/dbraw/zinc/68/29/25/461682925.db2.gz DLQCMKSBZYMQDK-HXUWFJFHSA-N 2 2 334.467 3.328 20 0 EGADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631286367 461692140 /nfs/dbraw/zinc/69/21/40/461692140.db2.gz VOCTWGRQGHTIMQ-KRWDZBQOSA-N 2 2 326.444 3.071 20 0 EGADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631286367 461692149 /nfs/dbraw/zinc/69/21/49/461692149.db2.gz VOCTWGRQGHTIMQ-KRWDZBQOSA-N 2 2 326.444 3.071 20 0 EGADLP Cc1ncc([C@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075086 461710308 /nfs/dbraw/zinc/71/03/08/461710308.db2.gz DHXQCYSNFPMICT-HOCLYGCPSA-N 2 2 325.460 3.177 20 0 EGADLP Cc1ncc([C@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)n1 ZINC000639075086 461710313 /nfs/dbraw/zinc/71/03/13/461710313.db2.gz DHXQCYSNFPMICT-HOCLYGCPSA-N 2 2 325.460 3.177 20 0 EGADLP COc1ccc([C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@H]2CCC[NH2+]2)cc1 ZINC000643460276 461734567 /nfs/dbraw/zinc/73/45/67/461734567.db2.gz JCZOGIRXDZXZLM-YSGRDPCXSA-N 2 2 325.456 3.277 20 0 EGADLP COc1ccc2oc([C@H](C)[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)c(C)c2c1 ZINC000643461771 461735053 /nfs/dbraw/zinc/73/50/53/461735053.db2.gz OXTOCYBULBTYKY-QEJZJMRPSA-N 2 2 332.444 3.167 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000643463292 461735392 /nfs/dbraw/zinc/73/53/92/461735392.db2.gz SSEPQYFCLZRXJM-KUHUBIRLSA-N 2 2 341.430 3.308 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)c1O ZINC000656431574 461741239 /nfs/dbraw/zinc/74/12/39/461741239.db2.gz XZQAKZOIVSAIPP-CQSZACIVSA-N 2 2 335.835 3.478 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc(Cl)c1O ZINC000656431574 461741248 /nfs/dbraw/zinc/74/12/48/461741248.db2.gz XZQAKZOIVSAIPP-CQSZACIVSA-N 2 2 335.835 3.478 20 0 EGADLP Brc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H]2CCCO2)cc1 ZINC000643523533 461752114 /nfs/dbraw/zinc/75/21/14/461752114.db2.gz UDNXWNMXQYNPCE-BZUAXINKSA-N 2 2 339.277 3.011 20 0 EGADLP Cc1ccc([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000647548074 461760733 /nfs/dbraw/zinc/76/07/33/461760733.db2.gz UQXQZJUZVHVNQO-XMTFNYHQSA-N 2 2 330.472 3.353 20 0 EGADLP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000639149850 461764541 /nfs/dbraw/zinc/76/45/41/461764541.db2.gz VLTOFYAGALDNBJ-UHFFFAOYSA-N 2 2 325.243 3.398 20 0 EGADLP COCCc1ncc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000639176261 461781746 /nfs/dbraw/zinc/78/17/46/461781746.db2.gz UDWMJOQNIMWGMA-UHFFFAOYSA-N 2 2 348.516 3.221 20 0 EGADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000666770289 461795499 /nfs/dbraw/zinc/79/54/99/461795499.db2.gz RKJRPMBILXAJHX-AWEZNQCLSA-N 2 2 338.377 3.123 20 0 EGADLP COc1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000666774133 461797276 /nfs/dbraw/zinc/79/72/76/461797276.db2.gz CAYHEORXDLYIJB-HIFRSBDPSA-N 2 2 331.485 3.296 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000639316925 461856840 /nfs/dbraw/zinc/85/68/40/461856840.db2.gz NJLSEBWAWRWXEO-WOJBJXKFSA-N 2 2 338.499 3.120 20 0 EGADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000639316925 461856844 /nfs/dbraw/zinc/85/68/44/461856844.db2.gz NJLSEBWAWRWXEO-WOJBJXKFSA-N 2 2 338.499 3.120 20 0 EGADLP COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647883422 461869729 /nfs/dbraw/zinc/86/97/29/461869729.db2.gz PITIIVGTJZXGLK-IUODEOHRSA-N 2 2 339.277 3.204 20 0 EGADLP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647883422 461869733 /nfs/dbraw/zinc/86/97/33/461869733.db2.gz PITIIVGTJZXGLK-IUODEOHRSA-N 2 2 339.277 3.204 20 0 EGADLP COc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1OC ZINC000639374138 461892773 /nfs/dbraw/zinc/89/27/73/461892773.db2.gz BCKXEDYITSTMQD-UHFFFAOYSA-N 2 2 332.488 3.463 20 0 EGADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936365 461894871 /nfs/dbraw/zinc/89/48/71/461894871.db2.gz CALSFXRGQAJBAP-LKUPVBHCSA-N 2 2 343.515 3.093 20 0 EGADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC[C@@H]1[NH3+] ZINC000647936365 461894872 /nfs/dbraw/zinc/89/48/72/461894872.db2.gz CALSFXRGQAJBAP-LKUPVBHCSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656585 461906740 /nfs/dbraw/zinc/90/67/40/461906740.db2.gz MXQHCOFMBPOCAU-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656585 461906746 /nfs/dbraw/zinc/90/67/46/461906746.db2.gz MXQHCOFMBPOCAU-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656585 461906750 /nfs/dbraw/zinc/90/67/50/461906750.db2.gz MXQHCOFMBPOCAU-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656585 461906757 /nfs/dbraw/zinc/90/67/57/461906757.db2.gz MXQHCOFMBPOCAU-KDOFPFPSSA-N 2 2 335.879 3.085 20 0 EGADLP Cc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Br)c(C)[nH+]1 ZINC000664078119 461935073 /nfs/dbraw/zinc/93/50/73/461935073.db2.gz NPOAQRJVECAHDA-QWHCGFSZSA-N 2 2 339.281 3.285 20 0 EGADLP Cc1nc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(Br)c(C)[nH+]1 ZINC000664078119 461935080 /nfs/dbraw/zinc/93/50/80/461935080.db2.gz NPOAQRJVECAHDA-QWHCGFSZSA-N 2 2 339.281 3.285 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000648010532 461940107 /nfs/dbraw/zinc/94/01/07/461940107.db2.gz HAJOHWMDAWYONH-QGZVFWFLSA-N 2 2 342.487 3.296 20 0 EGADLP Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000648010532 461940111 /nfs/dbraw/zinc/94/01/11/461940111.db2.gz HAJOHWMDAWYONH-QGZVFWFLSA-N 2 2 342.487 3.296 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000667118793 461958772 /nfs/dbraw/zinc/95/87/72/461958772.db2.gz ZOVREZAVUVPKSY-QGZVFWFLSA-N 2 2 330.476 3.250 20 0 EGADLP Cc1cc(C)c(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000667118793 461958775 /nfs/dbraw/zinc/95/87/75/461958775.db2.gz ZOVREZAVUVPKSY-QGZVFWFLSA-N 2 2 330.476 3.250 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000644569382 461989760 /nfs/dbraw/zinc/98/97/60/461989760.db2.gz MXQIFNNGPCPTEH-MOPGFXCFSA-N 2 2 342.483 3.044 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)co2)c1 ZINC000639567896 461993523 /nfs/dbraw/zinc/99/35/23/461993523.db2.gz QMPCWJAKXLGHGX-HNNXBMFYSA-N 2 2 338.411 3.073 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)co2)c1 ZINC000639567896 461993529 /nfs/dbraw/zinc/99/35/29/461993529.db2.gz QMPCWJAKXLGHGX-HNNXBMFYSA-N 2 2 338.411 3.073 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)co2)c1 ZINC000639567897 461993599 /nfs/dbraw/zinc/99/35/99/461993599.db2.gz QMPCWJAKXLGHGX-OAHLLOKOSA-N 2 2 338.411 3.073 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)co2)c1 ZINC000639567897 461993608 /nfs/dbraw/zinc/99/36/08/461993608.db2.gz QMPCWJAKXLGHGX-OAHLLOKOSA-N 2 2 338.411 3.073 20 0 EGADLP O[C@@H](Cc1ccccc1)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856817 461996749 /nfs/dbraw/zinc/99/67/49/461996749.db2.gz XFOGNKMYQRWFML-IBGZPJMESA-N 2 2 349.478 3.421 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)co2)c1 ZINC000639613300 462018583 /nfs/dbraw/zinc/01/85/83/462018583.db2.gz SFGSSNGGIYABMS-QGZVFWFLSA-N 2 2 329.444 3.266 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)co2)c1 ZINC000639613300 462018587 /nfs/dbraw/zinc/01/85/87/462018587.db2.gz SFGSSNGGIYABMS-QGZVFWFLSA-N 2 2 329.444 3.266 20 0 EGADLP CSc1cccc(F)c1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644644732 462021571 /nfs/dbraw/zinc/02/15/71/462021571.db2.gz UTYNKOYWBUYOGL-MRXNPFEDSA-N 2 2 348.487 3.130 20 0 EGADLP CSc1cccc(F)c1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644644732 462021577 /nfs/dbraw/zinc/02/15/77/462021577.db2.gz UTYNKOYWBUYOGL-MRXNPFEDSA-N 2 2 348.487 3.130 20 0 EGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657295778 462025002 /nfs/dbraw/zinc/02/50/02/462025002.db2.gz YJOFWXDSSSCUNJ-STQMWFEESA-N 2 2 346.393 3.016 20 0 EGADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(C4CC4)CC3)c2cc1C ZINC000644719758 462050756 /nfs/dbraw/zinc/05/07/56/462050756.db2.gz GWACJJLCFOKXTJ-SFHVURJKSA-N 2 2 327.472 3.136 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]C1(c3ccc4c(c3)OCCO4)CCCC1)CCC2 ZINC000657342086 462059699 /nfs/dbraw/zinc/05/96/99/462059699.db2.gz FISZPYRPDPJDMP-UHFFFAOYSA-N 2 2 339.439 3.160 20 0 EGADLP CC(C)n1cc[nH+]c1CNc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657364363 462073634 /nfs/dbraw/zinc/07/36/34/462073634.db2.gz YONXNOYCEKXPBG-UHFFFAOYSA-N 2 2 328.460 3.033 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]CCCO[C@H]1CCCc3ccccc31)CCC2 ZINC000657365732 462075054 /nfs/dbraw/zinc/07/50/54/462075054.db2.gz GDUIURAIFRRHKB-IBGZPJMESA-N 2 2 325.456 3.403 20 0 EGADLP CC[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000648409856 462105472 /nfs/dbraw/zinc/10/54/72/462105472.db2.gz BIPMOQDRHGDQAI-FPOVZHCZSA-N 2 2 345.531 3.054 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432065 462119179 /nfs/dbraw/zinc/11/91/79/462119179.db2.gz NSZAESPXXFSUMK-HLAWJBBLSA-N 3 2 338.499 3.119 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657432065 462119186 /nfs/dbraw/zinc/11/91/86/462119186.db2.gz NSZAESPXXFSUMK-HLAWJBBLSA-N 3 2 338.499 3.119 20 0 EGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1C ZINC000644900713 462124961 /nfs/dbraw/zinc/12/49/61/462124961.db2.gz DFRDNJCCCURECS-AWEZNQCLSA-N 2 2 339.443 3.007 20 0 EGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1C ZINC000644900713 462124965 /nfs/dbraw/zinc/12/49/65/462124965.db2.gz DFRDNJCCCURECS-AWEZNQCLSA-N 2 2 339.443 3.007 20 0 EGADLP Fc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1OC(F)F ZINC000657459706 462138396 /nfs/dbraw/zinc/13/83/96/462138396.db2.gz CPOPAVVDYMRAIO-UHFFFAOYSA-N 2 2 325.334 3.250 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000639896153 462159032 /nfs/dbraw/zinc/15/90/32/462159032.db2.gz NZGWUAHWDPRUTM-UHFFFAOYSA-N 2 2 331.504 3.084 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)C[N@@H+]1C1CC1 ZINC000657537490 462171705 /nfs/dbraw/zinc/17/17/05/462171705.db2.gz MQDMHUPDLZMSIV-PMPSAXMXSA-N 2 2 333.907 3.381 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)C[N@H+]1C1CC1 ZINC000657537490 462171710 /nfs/dbraw/zinc/17/17/10/462171710.db2.gz MQDMHUPDLZMSIV-PMPSAXMXSA-N 2 2 333.907 3.381 20 0 EGADLP CCCn1nccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620730 462177815 /nfs/dbraw/zinc/17/78/15/462177815.db2.gz MRDGADDCJCBEHY-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCCn1nccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667620730 462177816 /nfs/dbraw/zinc/17/78/16/462177816.db2.gz MRDGADDCJCBEHY-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCCn1nccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667620730 462177818 /nfs/dbraw/zinc/17/78/18/462177818.db2.gz MRDGADDCJCBEHY-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP CCCn1nccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667620730 462177822 /nfs/dbraw/zinc/17/78/22/462177822.db2.gz MRDGADDCJCBEHY-IBGZPJMESA-N 2 2 326.488 3.247 20 0 EGADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982848 462203939 /nfs/dbraw/zinc/20/39/39/462203939.db2.gz JJNIHTXKAYQTRQ-QGZVFWFLSA-N 2 2 335.536 3.116 20 0 EGADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000639987387 462206752 /nfs/dbraw/zinc/20/67/52/462206752.db2.gz CPBNUEAELRHTNC-SFHVURJKSA-N 2 2 337.552 3.361 20 0 EGADLP CCN(Cc1c[nH+]c2n1CCC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684262 462213668 /nfs/dbraw/zinc/21/36/68/462213668.db2.gz PNXPPZNLVQUDOF-LJQANCHMSA-N 2 2 338.499 3.173 20 0 EGADLP CCN(Cc1c[nH+]c2n1CCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684262 462213672 /nfs/dbraw/zinc/21/36/72/462213672.db2.gz PNXPPZNLVQUDOF-LJQANCHMSA-N 2 2 338.499 3.173 20 0 EGADLP CC[N@@H+](Cc1cnc2n1CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684262 462213675 /nfs/dbraw/zinc/21/36/75/462213675.db2.gz PNXPPZNLVQUDOF-LJQANCHMSA-N 2 2 338.499 3.173 20 0 EGADLP CC[N@H+](Cc1cnc2n1CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667684262 462213678 /nfs/dbraw/zinc/21/36/78/462213678.db2.gz PNXPPZNLVQUDOF-LJQANCHMSA-N 2 2 338.499 3.173 20 0 EGADLP CC[NH+](Cc1cnc2n1CCC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667684262 462213683 /nfs/dbraw/zinc/21/36/83/462213683.db2.gz PNXPPZNLVQUDOF-LJQANCHMSA-N 2 2 338.499 3.173 20 0 EGADLP CC[NH+](Cc1cnc2n1CCC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684262 462213686 /nfs/dbraw/zinc/21/36/86/462213686.db2.gz PNXPPZNLVQUDOF-LJQANCHMSA-N 2 2 338.499 3.173 20 0 EGADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CCO1 ZINC000657647257 462215452 /nfs/dbraw/zinc/21/54/52/462215452.db2.gz BHPPSCZESRLUNO-FHWLQOOXSA-N 2 2 327.472 3.497 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706846 462225126 /nfs/dbraw/zinc/22/51/26/462225126.db2.gz JPCNCOLVVYSLDB-HHXXYDBFSA-N 2 2 348.462 3.050 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706846 462225130 /nfs/dbraw/zinc/22/51/30/462225130.db2.gz JPCNCOLVVYSLDB-HHXXYDBFSA-N 2 2 348.462 3.050 20 0 EGADLP Fc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1Cl ZINC000657753192 462252106 /nfs/dbraw/zinc/25/21/06/462252106.db2.gz VEJOZZICDIBTBU-CYBMUJFWSA-N 2 2 347.261 3.475 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCN3Cc3ccccc3)cc2)c[nH+]1 ZINC000657807218 462276301 /nfs/dbraw/zinc/27/63/01/462276301.db2.gz LHAMAPNCUUZNRN-NRFANRHFSA-N 2 2 332.451 3.236 20 0 EGADLP Cc1c(Br)cncc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000668027244 462380539 /nfs/dbraw/zinc/38/05/39/462380539.db2.gz GKLNYWJOKZTXBF-UHFFFAOYSA-N 2 2 338.293 3.213 20 0 EGADLP Cc1c(Br)cncc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000668027244 462380545 /nfs/dbraw/zinc/38/05/45/462380545.db2.gz GKLNYWJOKZTXBF-UHFFFAOYSA-N 2 2 338.293 3.213 20 0 EGADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000658090580 462380857 /nfs/dbraw/zinc/38/08/57/462380857.db2.gz HXVXSMPPLKTRRK-ZGOJQLDESA-N 2 2 341.499 3.282 20 0 EGADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000658090580 462380860 /nfs/dbraw/zinc/38/08/60/462380860.db2.gz HXVXSMPPLKTRRK-ZGOJQLDESA-N 2 2 341.499 3.282 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000658095270 462381911 /nfs/dbraw/zinc/38/19/11/462381911.db2.gz FVRUSHWYAJGDDQ-MOPGFXCFSA-N 2 2 341.503 3.180 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000658095270 462381915 /nfs/dbraw/zinc/38/19/15/462381915.db2.gz FVRUSHWYAJGDDQ-MOPGFXCFSA-N 2 2 341.503 3.180 20 0 EGADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000665294411 462389280 /nfs/dbraw/zinc/38/92/80/462389280.db2.gz OEHDJVIGTFYYOH-JKSUJKDBSA-N 2 2 338.455 3.172 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)n1C ZINC000651949450 462389323 /nfs/dbraw/zinc/38/93/23/462389323.db2.gz LULVHEUAABMSRH-OAHLLOKOSA-N 2 2 332.423 3.017 20 0 EGADLP COc1ccc([C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccn2)cc1 ZINC000652132719 462445491 /nfs/dbraw/zinc/44/54/91/462445491.db2.gz UEGWXAFIUXCJGR-IBGZPJMESA-N 2 2 327.472 3.357 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159023 462455583 /nfs/dbraw/zinc/45/55/83/462455583.db2.gz QBWYGBNVHFASIV-UNEWFSDZSA-N 2 2 348.487 3.378 20 0 EGADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652159023 462455586 /nfs/dbraw/zinc/45/55/86/462455586.db2.gz QBWYGBNVHFASIV-UNEWFSDZSA-N 2 2 348.487 3.378 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ccccc2n1 ZINC000658294593 462459829 /nfs/dbraw/zinc/45/98/29/462459829.db2.gz NTMBVRIVOWRGNN-QAPCUYQASA-N 2 2 325.456 3.139 20 0 EGADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296262 462462629 /nfs/dbraw/zinc/46/26/29/462462629.db2.gz RJIZPDZINWIUDA-CXAGYDPISA-N 2 2 340.870 3.253 20 0 EGADLP Clc1ccc(C2CC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000658296294 462462961 /nfs/dbraw/zinc/46/29/61/462462961.db2.gz YNXNIOPYDIQTOA-XUJQIHCRSA-N 2 2 334.891 3.429 20 0 EGADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000649344314 462482582 /nfs/dbraw/zinc/48/25/82/462482582.db2.gz OOSRESKSUASQEG-INIZCTEOSA-N 2 2 326.444 3.287 20 0 EGADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104279 462518862 /nfs/dbraw/zinc/51/88/62/462518862.db2.gz HENDAPQZQGJUDV-UHFFFAOYSA-N 2 2 347.484 3.008 20 0 EGADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104279 462518863 /nfs/dbraw/zinc/51/88/63/462518863.db2.gz HENDAPQZQGJUDV-UHFFFAOYSA-N 2 2 347.484 3.008 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@H+](CCc1cccc(Cl)c1Cl)CCO2 ZINC000646106443 462518876 /nfs/dbraw/zinc/51/88/76/462518876.db2.gz YRYYLRZLXXFYIB-UHFFFAOYSA-N 2 2 343.298 3.333 20 0 EGADLP C[NH+]1CCC2(CC1)C[N@@H+](CCc1cccc(Cl)c1Cl)CCO2 ZINC000646106443 462518878 /nfs/dbraw/zinc/51/88/78/462518878.db2.gz YRYYLRZLXXFYIB-UHFFFAOYSA-N 2 2 343.298 3.333 20 0 EGADLP Cc1cccn2cc(Cn3cc(C[N@@H+](C)C4CCCCC4)nn3)[nH+]c12 ZINC000640952567 462534661 /nfs/dbraw/zinc/53/46/61/462534661.db2.gz IPOCMRSMLILIOD-UHFFFAOYSA-N 2 2 338.459 3.047 20 0 EGADLP Cc1cccn2cc(Cn3cc(C[N@H+](C)C4CCCCC4)nn3)[nH+]c12 ZINC000640952567 462534663 /nfs/dbraw/zinc/53/46/63/462534663.db2.gz IPOCMRSMLILIOD-UHFFFAOYSA-N 2 2 338.459 3.047 20 0 EGADLP Cn1c2ccccc2[nH+]c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000534240926 478131213 /nfs/dbraw/zinc/13/12/13/478131213.db2.gz QWOPCFTXVIWNOC-UHFFFAOYSA-N 2 2 330.501 3.347 20 0 EGADLP Fc1ccccc1CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000358826454 518196106 /nfs/dbraw/zinc/19/61/06/518196106.db2.gz GLHRPPPALYZXDL-UHFFFAOYSA-N 2 2 348.385 3.394 20 0 EGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837772 527818062 /nfs/dbraw/zinc/81/80/62/527818062.db2.gz WJEYOCNDQCVBFN-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837772 527818068 /nfs/dbraw/zinc/81/80/68/527818068.db2.gz WJEYOCNDQCVBFN-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837772 527818072 /nfs/dbraw/zinc/81/80/72/527818072.db2.gz WJEYOCNDQCVBFN-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000177837772 527818081 /nfs/dbraw/zinc/81/80/81/527818081.db2.gz WJEYOCNDQCVBFN-AWEZNQCLSA-N 2 2 328.403 3.070 20 0 EGADLP CCCCn1c(SCCn2cc[nH+]c2)nnc1[C@@H](CC)[NH+](C)C ZINC000159153775 529070493 /nfs/dbraw/zinc/07/04/93/529070493.db2.gz CPDXCUXFOPXFTE-CQSZACIVSA-N 2 2 336.509 3.080 20 0 EGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccsc3Cl)CC2)CC1 ZINC000361575568 535156234 /nfs/dbraw/zinc/15/62/34/535156234.db2.gz BZHUGDJBHALVPJ-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccsc3Cl)CC2)CC1 ZINC000361575568 535156236 /nfs/dbraw/zinc/15/62/36/535156236.db2.gz BZHUGDJBHALVPJ-UHFFFAOYSA-N 2 2 341.952 3.392 20 0 EGADLP COc1cc(C)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1OC ZINC000351566887 536578210 /nfs/dbraw/zinc/57/82/10/536578210.db2.gz GYJLRYCBRQUNLH-UHFFFAOYSA-N 2 2 338.411 3.264 20 0 EGADLP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000076109812 546584245 /nfs/dbraw/zinc/58/42/45/546584245.db2.gz PUEWLJGVTIZCRR-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000076109812 546584250 /nfs/dbraw/zinc/58/42/50/546584250.db2.gz PUEWLJGVTIZCRR-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000076109812 546584254 /nfs/dbraw/zinc/58/42/54/546584254.db2.gz PUEWLJGVTIZCRR-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000076109812 546584257 /nfs/dbraw/zinc/58/42/57/546584257.db2.gz PUEWLJGVTIZCRR-QGZVFWFLSA-N 2 2 342.439 3.020 20 0 EGADLP Cc1ncc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000090407527 546656362 /nfs/dbraw/zinc/65/63/62/546656362.db2.gz JBEKEZSXIIUHRI-QAPCUYQASA-N 2 2 344.528 3.091 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151125844 546851519 /nfs/dbraw/zinc/85/15/19/546851519.db2.gz URJYJQYWIIMTPY-OAHLLOKOSA-N 2 2 335.411 3.015 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000151525001 546856092 /nfs/dbraw/zinc/85/60/92/546856092.db2.gz SGZHEPKHLXKKJY-KKSFZXQISA-N 2 2 337.467 3.255 20 0 EGADLP CC(=O)Nc1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000151525001 546856095 /nfs/dbraw/zinc/85/60/95/546856095.db2.gz SGZHEPKHLXKKJY-KKSFZXQISA-N 2 2 337.467 3.255 20 0 EGADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000151860391 546861010 /nfs/dbraw/zinc/86/10/10/546861010.db2.gz WZQYSDWLWUSZGR-DLBZAZTESA-N 2 2 331.504 3.430 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000153684093 546883389 /nfs/dbraw/zinc/88/33/89/546883389.db2.gz TYVYVGGGZDCOAP-UHFFFAOYSA-N 3 2 330.451 3.284 20 0 EGADLP COC1CC[NH+](CC[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000163688100 546974085 /nfs/dbraw/zinc/97/40/85/546974085.db2.gz MYBWKVGRTZWFFD-CABCVRRESA-N 2 2 347.528 3.489 20 0 EGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OCCCOC)CC1 ZINC000167227984 546991410 /nfs/dbraw/zinc/99/14/10/546991410.db2.gz MTCNWLBPAWMWNN-UHFFFAOYSA-N 2 2 334.504 3.374 20 0 EGADLP COc1cccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1F ZINC000192664105 547203320 /nfs/dbraw/zinc/20/33/20/547203320.db2.gz ZUDDRNNDHCNZNM-UHFFFAOYSA-N 2 2 328.431 3.372 20 0 EGADLP COc1cccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1F ZINC000192664105 547203323 /nfs/dbraw/zinc/20/33/23/547203323.db2.gz ZUDDRNNDHCNZNM-UHFFFAOYSA-N 2 2 328.431 3.372 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1)c1ccccc1 ZINC000193257097 547211996 /nfs/dbraw/zinc/21/19/96/547211996.db2.gz SSTGXUGIOZOVKI-MRXNPFEDSA-N 2 2 340.471 3.122 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1)c1ccccc1 ZINC000193257097 547212001 /nfs/dbraw/zinc/21/20/01/547212001.db2.gz SSTGXUGIOZOVKI-MRXNPFEDSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(-c3ccccn3)n1)CCC2 ZINC000371074005 547795597 /nfs/dbraw/zinc/79/55/97/547795597.db2.gz MNPOLDDEUQITCV-CQSZACIVSA-N 2 2 339.468 3.377 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949054 547885799 /nfs/dbraw/zinc/88/57/99/547885799.db2.gz GENJVJVKRYDFRS-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425949054 547885803 /nfs/dbraw/zinc/88/58/03/547885803.db2.gz GENJVJVKRYDFRS-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1cccc(F)c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425949054 547885808 /nfs/dbraw/zinc/88/58/08/547885808.db2.gz GENJVJVKRYDFRS-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP C[C@H](c1cccc(F)c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425949054 547885809 /nfs/dbraw/zinc/88/58/09/547885809.db2.gz GENJVJVKRYDFRS-UTKZUKDTSA-N 2 2 342.458 3.456 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535576673 548054636 /nfs/dbraw/zinc/05/46/36/548054636.db2.gz VWOSRJDBWNUUMK-UHFFFAOYSA-N 2 2 338.455 3.159 20 0 EGADLP CCCC[C@H](CC)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000604977859 548115341 /nfs/dbraw/zinc/11/53/41/548115341.db2.gz CEUSQQRGELOQLS-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP CCCC[C@H](CC)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000604977859 548115345 /nfs/dbraw/zinc/11/53/45/548115345.db2.gz CEUSQQRGELOQLS-KRWDZBQOSA-N 2 2 325.541 3.077 20 0 EGADLP Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000660750245 548172696 /nfs/dbraw/zinc/17/26/96/548172696.db2.gz ZWALDDIYPDUBSK-UHFFFAOYSA-N 2 2 337.427 3.010 20 0 EGADLP Clc1cccc2c(N3CC[NH+](C[C@H]4CCCO4)CC3)cc[nH+]c12 ZINC000672142547 548391229 /nfs/dbraw/zinc/39/12/29/548391229.db2.gz WDFBMSIKKQJIMO-CQSZACIVSA-N 2 2 331.847 3.189 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056907 549200678 /nfs/dbraw/zinc/20/06/78/549200678.db2.gz MDHQJRUFNYMQRX-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056907 549200682 /nfs/dbraw/zinc/20/06/82/549200682.db2.gz MDHQJRUFNYMQRX-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056907 549200683 /nfs/dbraw/zinc/20/06/83/549200683.db2.gz MDHQJRUFNYMQRX-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCC[C@H](C4CC4)C3)C2)cc1 ZINC000677056907 549200687 /nfs/dbraw/zinc/20/06/87/549200687.db2.gz MDHQJRUFNYMQRX-LEWJYISDSA-N 2 2 328.500 3.400 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160098 549413533 /nfs/dbraw/zinc/41/35/33/549413533.db2.gz JENKALKSXMHIHX-AZUAARDMSA-N 2 2 341.455 3.278 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)c[nH+]1 ZINC000678160098 549413538 /nfs/dbraw/zinc/41/35/38/549413538.db2.gz JENKALKSXMHIHX-AZUAARDMSA-N 2 2 341.455 3.278 20 0 EGADLP COc1cc2c(cc1C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000678234228 549435591 /nfs/dbraw/zinc/43/55/91/549435591.db2.gz ARGHJMXCSSNBJR-PBHICJAKSA-N 2 2 327.428 3.052 20 0 EGADLP COc1cc2c(cc1C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)O[C@H](C)C2 ZINC000678234228 549435592 /nfs/dbraw/zinc/43/55/92/549435592.db2.gz ARGHJMXCSSNBJR-PBHICJAKSA-N 2 2 327.428 3.052 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC000678257869 549448362 /nfs/dbraw/zinc/44/83/62/549448362.db2.gz SZRBHYOADVWSBW-IBGZPJMESA-N 2 2 339.483 3.158 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)C1 ZINC000678257869 549448366 /nfs/dbraw/zinc/44/83/66/549448366.db2.gz SZRBHYOADVWSBW-IBGZPJMESA-N 2 2 339.483 3.158 20 0 EGADLP CC(C)[C@@H](O)C1(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930214 549597934 /nfs/dbraw/zinc/59/79/34/549597934.db2.gz HJNXMNYCHMKKJL-RBUKOAKNSA-N 2 2 330.516 3.426 20 0 EGADLP CC(C)[C@@H](O)C1(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678930214 549597937 /nfs/dbraw/zinc/59/79/37/549597937.db2.gz HJNXMNYCHMKKJL-RBUKOAKNSA-N 2 2 330.516 3.426 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCc2ccc(CO)cc2)C[N@@H+]1Cc1ccccc1 ZINC000678968460 549606188 /nfs/dbraw/zinc/60/61/88/549606188.db2.gz BPMDDIPAIFKUCO-NRFANRHFSA-N 2 2 338.495 3.364 20 0 EGADLP CC1(C)C[C@H]([NH2+]CCc2ccc(CO)cc2)C[N@H+]1Cc1ccccc1 ZINC000678968460 549606190 /nfs/dbraw/zinc/60/61/90/549606190.db2.gz BPMDDIPAIFKUCO-NRFANRHFSA-N 2 2 338.495 3.364 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000679771084 549775096 /nfs/dbraw/zinc/77/50/96/549775096.db2.gz GFEDWLTXXGQPBX-FZKQIMNGSA-N 2 2 345.512 3.177 20 0 EGADLP Cc1nc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)s1 ZINC000679771084 549775098 /nfs/dbraw/zinc/77/50/98/549775098.db2.gz GFEDWLTXXGQPBX-FZKQIMNGSA-N 2 2 345.512 3.177 20 0 EGADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c5ccncc45)[C@@H]3C2)cc1 ZINC000680075142 549816252 /nfs/dbraw/zinc/81/62/52/549816252.db2.gz ZRWKEEUFQWWNPL-DSKINZAPSA-N 2 2 344.462 3.374 20 0 EGADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c5ccncc45)[C@@H]3C2)cc1 ZINC000680075142 549816254 /nfs/dbraw/zinc/81/62/54/549816254.db2.gz ZRWKEEUFQWWNPL-DSKINZAPSA-N 2 2 344.462 3.374 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680397647 549862153 /nfs/dbraw/zinc/86/21/53/549862153.db2.gz VLIUIYLARWPKEM-AEFFLSMTSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@H](CCC(C)(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680397647 549862155 /nfs/dbraw/zinc/86/21/55/549862155.db2.gz VLIUIYLARWPKEM-AEFFLSMTSA-N 2 2 337.552 3.076 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462538 549868451 /nfs/dbraw/zinc/86/84/51/549868451.db2.gz OXZPGHOQYQPLMV-RTBURBONSA-N 2 2 326.488 3.373 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000680462538 549868454 /nfs/dbraw/zinc/86/84/54/549868454.db2.gz OXZPGHOQYQPLMV-RTBURBONSA-N 2 2 326.488 3.373 20 0 EGADLP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2O1 ZINC000738430822 574665799 /nfs/dbraw/zinc/66/57/99/574665799.db2.gz QKTFXKGZJPLTHH-LJQANCHMSA-N 2 2 344.499 3.133 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795770 575396689 /nfs/dbraw/zinc/39/66/89/575396689.db2.gz RTXMQDBHVAVAJQ-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795770 575396693 /nfs/dbraw/zinc/39/66/93/575396693.db2.gz RTXMQDBHVAVAJQ-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795770 575396696 /nfs/dbraw/zinc/39/66/96/575396696.db2.gz RTXMQDBHVAVAJQ-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795770 575396698 /nfs/dbraw/zinc/39/66/98/575396698.db2.gz RTXMQDBHVAVAJQ-FUHIMQAGSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795771 575396829 /nfs/dbraw/zinc/39/68/29/575396829.db2.gz RTXMQDBHVAVAJQ-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795771 575396831 /nfs/dbraw/zinc/39/68/31/575396831.db2.gz RTXMQDBHVAVAJQ-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795771 575396832 /nfs/dbraw/zinc/39/68/32/575396832.db2.gz RTXMQDBHVAVAJQ-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000733795771 575396835 /nfs/dbraw/zinc/39/68/35/575396835.db2.gz RTXMQDBHVAVAJQ-MBOZVWFJSA-N 2 2 334.479 3.446 20 0 EGADLP COC1CC[NH+](CC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000683708249 576187190 /nfs/dbraw/zinc/18/71/90/576187190.db2.gz AQIDMWJYKJTTNW-UHFFFAOYSA-N 2 2 328.859 3.112 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883963 576633292 /nfs/dbraw/zinc/63/32/92/576633292.db2.gz RAZULMPCMOVQRR-BBRMVZONSA-N 2 2 344.455 3.112 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883963 576633295 /nfs/dbraw/zinc/63/32/95/576633295.db2.gz RAZULMPCMOVQRR-BBRMVZONSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883963 576633297 /nfs/dbraw/zinc/63/32/97/576633297.db2.gz RAZULMPCMOVQRR-BBRMVZONSA-N 2 2 344.455 3.112 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)C[C@@H]1C ZINC000740883963 576633299 /nfs/dbraw/zinc/63/32/99/576633299.db2.gz RAZULMPCMOVQRR-BBRMVZONSA-N 2 2 344.455 3.112 20 0 EGADLP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)n1cc[nH+]c1 ZINC000045858634 1291519115 /nfs/dbraw/zinc/51/91/15/1291519115.db2.gz NHFWAGJRFWNEPC-HOTGVXAUSA-N 2 2 346.500 3.095 20 0 EGADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccccc2Cl)c2ccccc2)CC1 ZINC000069171409 1292234575 /nfs/dbraw/zinc/23/45/75/1292234575.db2.gz MCFCWJFXMHWYFX-FQEVSTJZSA-N 2 2 343.902 3.418 20 0 EGADLP O=c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2cc3c(cc2o1)CCC3 ZINC000080960736 1292633161 /nfs/dbraw/zinc/63/31/61/1292633161.db2.gz UMLJFNOLTNOLGC-INIZCTEOSA-N 2 2 349.434 3.384 20 0 EGADLP O=c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2cc3c(cc2o1)CCC3 ZINC000080960736 1292633172 /nfs/dbraw/zinc/63/31/72/1292633172.db2.gz UMLJFNOLTNOLGC-INIZCTEOSA-N 2 2 349.434 3.384 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091333486 1292833961 /nfs/dbraw/zinc/83/39/61/1292833961.db2.gz FAEKIFLFAHNHIR-DBXWQHBBSA-N 2 2 344.499 3.379 20 0 EGADLP COc1ccccc1[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000091333486 1292833977 /nfs/dbraw/zinc/83/39/77/1292833977.db2.gz FAEKIFLFAHNHIR-DBXWQHBBSA-N 2 2 344.499 3.379 20 0 EGADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1nc(Br)cs1 ZINC000834526395 1293110673 /nfs/dbraw/zinc/11/06/73/1293110673.db2.gz HTTYBMFHVMYPTJ-SNVBAGLBSA-N 2 2 329.267 3.233 20 0 EGADLP CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C12CCC2 ZINC000834601784 1293121062 /nfs/dbraw/zinc/12/10/62/1293121062.db2.gz AFWFLOQRSHDXIC-PMACEKPBSA-N 2 2 343.515 3.269 20 0 EGADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3COC4(CCCCC4)O3)cc2)c[nH+]1 ZINC000128314035 1293589300 /nfs/dbraw/zinc/58/93/00/1293589300.db2.gz NDGRBJDQGSNQKD-GOSISDBHSA-N 2 2 327.428 3.038 20 0 EGADLP O[C@]1(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)CCc2ccccc21 ZINC000133357863 1293743117 /nfs/dbraw/zinc/74/31/17/1293743117.db2.gz YLIBGHWKGQVONW-QFIPXVFZSA-N 2 2 347.462 3.219 20 0 EGADLP O[C@]1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)CCc2ccccc21 ZINC000133357863 1293743120 /nfs/dbraw/zinc/74/31/20/1293743120.db2.gz YLIBGHWKGQVONW-QFIPXVFZSA-N 2 2 347.462 3.219 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000154711175 1294067257 /nfs/dbraw/zinc/06/72/57/1294067257.db2.gz MHKGAJPZEBCSFZ-PXNSSMCTSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000154711175 1294067264 /nfs/dbraw/zinc/06/72/64/1294067264.db2.gz MHKGAJPZEBCSFZ-PXNSSMCTSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000154711279 1294067628 /nfs/dbraw/zinc/06/76/28/1294067628.db2.gz MHKGAJPZEBCSFZ-XLIONFOSSA-N 2 2 334.479 3.303 20 0 EGADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000154711279 1294067629 /nfs/dbraw/zinc/06/76/29/1294067629.db2.gz MHKGAJPZEBCSFZ-XLIONFOSSA-N 2 2 334.479 3.303 20 0 EGADLP CC[NH+]1CCC(n2nccc2NCc2c[nH+]c3ccc(C)cn23)CC1 ZINC000156430276 1294144170 /nfs/dbraw/zinc/14/41/70/1294144170.db2.gz FFMGKJFEKYURKY-UHFFFAOYSA-N 2 2 338.459 3.108 20 0 EGADLP COC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccco1 ZINC000156656123 1294153224 /nfs/dbraw/zinc/15/32/24/1294153224.db2.gz UKMRDBFFPQVFBX-LJQANCHMSA-N 2 2 343.471 3.292 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177331488 1294665784 /nfs/dbraw/zinc/66/57/84/1294665784.db2.gz KDNFFQHTGFTOLP-QGZVFWFLSA-N 2 2 339.524 3.240 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177331488 1294665790 /nfs/dbraw/zinc/66/57/90/1294665790.db2.gz KDNFFQHTGFTOLP-QGZVFWFLSA-N 2 2 339.524 3.240 20 0 EGADLP CC(C)OC1CC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000186549643 1295333808 /nfs/dbraw/zinc/33/38/08/1295333808.db2.gz YNZDGMZOKGBRDK-UHFFFAOYSA-N 2 2 331.504 3.267 20 0 EGADLP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000194605079 1295993419 /nfs/dbraw/zinc/99/34/19/1295993419.db2.gz VPIAQJNSHDKSED-UHFFFAOYSA-N 2 2 349.438 3.256 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCCCCC[NH3+])C[C@H](C)O1 ZINC000237684681 1296258405 /nfs/dbraw/zinc/25/84/05/1296258405.db2.gz LGLVJPZNLFENFG-CALCHBBNSA-N 2 2 347.503 3.144 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCCCCC[NH3+])C[C@H](C)O1 ZINC000237684681 1296258416 /nfs/dbraw/zinc/25/84/16/1296258416.db2.gz LGLVJPZNLFENFG-CALCHBBNSA-N 2 2 347.503 3.144 20 0 EGADLP CC(C)c1ccc([C@@H](CNC(N)=[NH2+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261701528 1296598569 /nfs/dbraw/zinc/59/85/69/1296598569.db2.gz CPUVSPBLBSVBOF-QGZVFWFLSA-N 2 2 342.512 3.454 20 0 EGADLP CC(C)c1ccc([C@@H](CNC(N)=[NH2+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261701528 1296598598 /nfs/dbraw/zinc/59/85/98/1296598598.db2.gz CPUVSPBLBSVBOF-QGZVFWFLSA-N 2 2 342.512 3.454 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000301756978 1296794255 /nfs/dbraw/zinc/79/42/55/1296794255.db2.gz FCJJZOVRECGNDJ-BFYDXBDKSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000301756978 1296794266 /nfs/dbraw/zinc/79/42/66/1296794266.db2.gz FCJJZOVRECGNDJ-BFYDXBDKSA-N 2 2 339.524 3.142 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620609 1297506806 /nfs/dbraw/zinc/50/68/06/1297506806.db2.gz CQPAEVPRZBNUDT-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620609 1297506813 /nfs/dbraw/zinc/50/68/13/1297506813.db2.gz CQPAEVPRZBNUDT-SJORKVTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620606 1297506910 /nfs/dbraw/zinc/50/69/10/1297506910.db2.gz CQPAEVPRZBNUDT-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1 ZINC000365620606 1297506913 /nfs/dbraw/zinc/50/69/13/1297506913.db2.gz CQPAEVPRZBNUDT-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365648313 1297508292 /nfs/dbraw/zinc/50/82/92/1297508292.db2.gz IJHRGSPSMXZMFF-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365648313 1297508293 /nfs/dbraw/zinc/50/82/93/1297508293.db2.gz IJHRGSPSMXZMFF-DLBZAZTESA-N 2 2 340.471 3.244 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000382615667 1297562173 /nfs/dbraw/zinc/56/21/73/1297562173.db2.gz YIBGDBZZOYSHPS-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398044353 1297711216 /nfs/dbraw/zinc/71/12/16/1297711216.db2.gz UVEDJPCHERZNHI-QAPCUYQASA-N 2 2 325.456 3.096 20 0 EGADLP Cc1ccc(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398044353 1297711227 /nfs/dbraw/zinc/71/12/27/1297711227.db2.gz UVEDJPCHERZNHI-QAPCUYQASA-N 2 2 325.456 3.096 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511972 1297730546 /nfs/dbraw/zinc/73/05/46/1297730546.db2.gz LTSHBNNPMBICRD-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000400511972 1297730555 /nfs/dbraw/zinc/73/05/55/1297730555.db2.gz LTSHBNNPMBICRD-RDJZCZTQSA-N 2 2 339.524 3.096 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444804517 1297861303 /nfs/dbraw/zinc/86/13/03/1297861303.db2.gz PPAATNVYDOXFKK-DOTOQJQBSA-N 2 2 340.471 3.189 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444804517 1297861317 /nfs/dbraw/zinc/86/13/17/1297861317.db2.gz PPAATNVYDOXFKK-DOTOQJQBSA-N 2 2 340.471 3.189 20 0 EGADLP CC1CC[NH+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000692138652 1298141137 /nfs/dbraw/zinc/14/11/37/1298141137.db2.gz KLLPMHIFQPZUSC-SJORKVTESA-N 2 2 339.524 3.096 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724031562 1298344424 /nfs/dbraw/zinc/34/44/24/1298344424.db2.gz YNSXUDUEYLNFIU-IXDOHACOSA-N 2 2 339.524 3.144 20 0 EGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876929408 1299072564 /nfs/dbraw/zinc/07/25/64/1299072564.db2.gz IVQWABLFUCIBAG-AWEZNQCLSA-N 2 2 330.432 3.408 20 0 EGADLP CCOC(=O)N1CCC(C)(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000877006391 1299110208 /nfs/dbraw/zinc/11/02/08/1299110208.db2.gz JPMQQAUZBOCRDX-UHFFFAOYSA-N 2 2 348.491 3.122 20 0 EGADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000749587066 1299239934 /nfs/dbraw/zinc/23/99/34/1299239934.db2.gz FYCBLEZBGPRKDI-RYRKJORJSA-N 2 2 349.519 3.051 20 0 EGADLP Cc1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750404317 1299392962 /nfs/dbraw/zinc/39/29/62/1299392962.db2.gz RNTOBKFFWWZAHI-CQSZACIVSA-N 2 2 347.507 3.088 20 0 EGADLP Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000750404317 1299392971 /nfs/dbraw/zinc/39/29/71/1299392971.db2.gz RNTOBKFFWWZAHI-CQSZACIVSA-N 2 2 347.507 3.088 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665606 1299466512 /nfs/dbraw/zinc/46/65/12/1299466512.db2.gz CGAMABPHIOIORG-YOEHRIQHSA-N 2 2 331.410 3.218 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665606 1299466515 /nfs/dbraw/zinc/46/65/15/1299466515.db2.gz CGAMABPHIOIORG-YOEHRIQHSA-N 2 2 331.410 3.218 20 0 EGADLP Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c[nH+]1 ZINC000879076197 1300356625 /nfs/dbraw/zinc/35/66/25/1300356625.db2.gz XNALURWTZVBGHF-KRWDZBQOSA-N 2 2 338.455 3.031 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857693 1301179091 /nfs/dbraw/zinc/17/90/91/1301179091.db2.gz JQDIYXMRSBARGY-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857693 1301179083 /nfs/dbraw/zinc/17/90/83/1301179083.db2.gz JQDIYXMRSBARGY-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857693 1301179087 /nfs/dbraw/zinc/17/90/87/1301179087.db2.gz JQDIYXMRSBARGY-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759857693 1301179092 /nfs/dbraw/zinc/17/90/92/1301179092.db2.gz JQDIYXMRSBARGY-KBXCAEBGSA-N 2 2 340.870 3.176 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160935 1301228228 /nfs/dbraw/zinc/22/82/28/1301228228.db2.gz UIXVOOZWOAYZSE-CYZMBNFOSA-N 2 2 344.286 3.089 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760160935 1301228231 /nfs/dbraw/zinc/22/82/31/1301228231.db2.gz UIXVOOZWOAYZSE-CYZMBNFOSA-N 2 2 344.286 3.089 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc([S@](C)=O)cc1 ZINC000765254172 1302229678 /nfs/dbraw/zinc/22/96/78/1302229678.db2.gz XKHVOMCQBRBRPD-GJYADEQXSA-N 2 2 333.501 3.386 20 0 EGADLP FC(F)(F)COc1ccccc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883458302 1302451487 /nfs/dbraw/zinc/45/14/87/1302451487.db2.gz DIYHYAXCKLVVAP-UHFFFAOYSA-N 2 2 328.378 3.346 20 0 EGADLP FC(F)(F)COc1ccccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883458302 1302451494 /nfs/dbraw/zinc/45/14/94/1302451494.db2.gz DIYHYAXCKLVVAP-UHFFFAOYSA-N 2 2 328.378 3.346 20 0 EGADLP C[NH+](C)C1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCC1 ZINC000769050275 1303036240 /nfs/dbraw/zinc/03/62/40/1303036240.db2.gz KWCVQJWXAWXVBW-UHFFFAOYSA-N 2 2 338.455 3.309 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000886873969 1303621312 /nfs/dbraw/zinc/62/13/12/1303621312.db2.gz CNCKITHAXPHROE-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000886873969 1303621316 /nfs/dbraw/zinc/62/13/16/1303621316.db2.gz CNCKITHAXPHROE-YLJYHZDGSA-N 2 2 329.488 3.096 20 0 EGADLP CC(C)(C)OC(=O)NCCC[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000774942744 1303881404 /nfs/dbraw/zinc/88/14/04/1303881404.db2.gz UHYOMUDDZVLLQN-GOSISDBHSA-N 2 2 347.503 3.328 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775378863 1303949866 /nfs/dbraw/zinc/94/98/66/1303949866.db2.gz NASKUGPLPHYAMT-WCVJEAGWSA-N 2 2 328.591 3.466 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775378863 1303949871 /nfs/dbraw/zinc/94/98/71/1303949871.db2.gz NASKUGPLPHYAMT-WCVJEAGWSA-N 2 2 328.591 3.466 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000779009489 1304518141 /nfs/dbraw/zinc/51/81/41/1304518141.db2.gz GXBJNIIRXHXRQZ-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000779009489 1304518144 /nfs/dbraw/zinc/51/81/44/1304518144.db2.gz GXBJNIIRXHXRQZ-IKGGRYGDSA-N 2 2 339.524 3.238 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC000780744198 1304733471 /nfs/dbraw/zinc/73/34/71/1304733471.db2.gz VAPDYDKOYKMQER-FQEVSTJZSA-N 2 2 331.504 3.270 20 0 EGADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181438 1304925899 /nfs/dbraw/zinc/92/58/99/1304925899.db2.gz HXXAGXKCQSKMQU-PKOBYXMFSA-N 2 2 333.907 3.039 20 0 EGADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)C1 ZINC000782181438 1304925905 /nfs/dbraw/zinc/92/59/05/1304925905.db2.gz HXXAGXKCQSKMQU-PKOBYXMFSA-N 2 2 333.907 3.039 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823348 1305179031 /nfs/dbraw/zinc/17/90/31/1305179031.db2.gz QPRMTCGSWLODKZ-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823348 1305179033 /nfs/dbraw/zinc/17/90/33/1305179033.db2.gz QPRMTCGSWLODKZ-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823348 1305179036 /nfs/dbraw/zinc/17/90/36/1305179036.db2.gz QPRMTCGSWLODKZ-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000891823348 1305179040 /nfs/dbraw/zinc/17/90/40/1305179040.db2.gz QPRMTCGSWLODKZ-IAGOWNOFSA-N 2 2 330.520 3.384 20 0 EGADLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000784254405 1305215747 /nfs/dbraw/zinc/21/57/47/1305215747.db2.gz LVTYJSCPDWCZKF-INIZCTEOSA-N 2 2 342.405 3.299 20 0 EGADLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000784254405 1305215753 /nfs/dbraw/zinc/21/57/53/1305215753.db2.gz LVTYJSCPDWCZKF-INIZCTEOSA-N 2 2 342.405 3.299 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(F)cc(Cl)c1 ZINC000785611295 1305393664 /nfs/dbraw/zinc/39/36/64/1305393664.db2.gz XLORMWCKBHSGSK-SFHVURJKSA-N 2 2 345.805 3.488 20 0 EGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000893101669 1305706903 /nfs/dbraw/zinc/70/69/03/1305706903.db2.gz XTGDRXLXIAGGGQ-UHFFFAOYSA-N 2 2 326.868 3.025 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000893098975 1305707234 /nfs/dbraw/zinc/70/72/34/1305707234.db2.gz UKQWRCMSNQSZDX-JXFKEZNVSA-N 2 2 338.499 3.440 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000893098975 1305707242 /nfs/dbraw/zinc/70/72/42/1305707242.db2.gz UKQWRCMSNQSZDX-JXFKEZNVSA-N 2 2 338.499 3.440 20 0 EGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cnc1F ZINC000893202517 1305758424 /nfs/dbraw/zinc/75/84/24/1305758424.db2.gz JPZGTGYKIOVJAV-HNNXBMFYSA-N 2 2 328.435 3.239 20 0 EGADLP COc1cc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC000903954261 1317757096 /nfs/dbraw/zinc/75/70/96/1317757096.db2.gz BSBKQQCUWYHNBS-JTQLQIEISA-N 2 2 339.213 3.336 20 0 EGADLP COC(=O)CC1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895112706 1309196449 /nfs/dbraw/zinc/19/64/49/1309196449.db2.gz DJBCYKCAJNPVAD-QXINMDOSSA-N 2 2 345.487 3.280 20 0 EGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000895495271 1309369121 /nfs/dbraw/zinc/36/91/21/1309369121.db2.gz PWVHQBXVLUOWTG-KRWDZBQOSA-N 2 2 349.906 3.298 20 0 EGADLP C[NH+](C)CCCC1CC[NH+](CN2Cc3c(cccc3Cl)C2=O)CC1 ZINC000795444665 1309752748 /nfs/dbraw/zinc/75/27/48/1309752748.db2.gz NNEDUXSRTQWPQJ-UHFFFAOYSA-N 2 2 349.906 3.307 20 0 EGADLP CC1([NH+]2CCC2)CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000896257250 1309773227 /nfs/dbraw/zinc/77/32/27/1309773227.db2.gz NCUXENVEMWOYHU-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP CC1([NH+]2CCC2)CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000896257250 1309773228 /nfs/dbraw/zinc/77/32/28/1309773228.db2.gz NCUXENVEMWOYHU-UHFFFAOYSA-N 2 2 329.492 3.286 20 0 EGADLP FC(F)(F)[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000795978057 1309872992 /nfs/dbraw/zinc/87/29/92/1309872992.db2.gz VEKCUGLRHWHHLD-MRXNPFEDSA-N 2 2 341.421 3.083 20 0 EGADLP FC(F)(F)[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000795978057 1309872993 /nfs/dbraw/zinc/87/29/93/1309872993.db2.gz VEKCUGLRHWHHLD-MRXNPFEDSA-N 2 2 341.421 3.083 20 0 EGADLP COc1cccc(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)on2)c1 ZINC000897841670 1310487815 /nfs/dbraw/zinc/48/78/15/1310487815.db2.gz NPIRPXZGPRBAEQ-MQVJKMGUSA-N 2 2 327.428 3.065 20 0 EGADLP COc1cccc(-c2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)on2)c1 ZINC000897841670 1310487817 /nfs/dbraw/zinc/48/78/17/1310487817.db2.gz NPIRPXZGPRBAEQ-MQVJKMGUSA-N 2 2 327.428 3.065 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001019139541 1317068434 /nfs/dbraw/zinc/06/84/34/1317068434.db2.gz HYHYSTJNCSYLKM-IRXDYDNUSA-N 2 2 348.450 3.208 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CC=C(C)C)C1 ZINC000957113297 1317194767 /nfs/dbraw/zinc/19/47/67/1317194767.db2.gz IZWVVKMVZMOYMB-IBGZPJMESA-N 2 2 335.536 3.140 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N(CC)C1C[NH+](CC=C(C)C)C1 ZINC000957113297 1317194773 /nfs/dbraw/zinc/19/47/73/1317194773.db2.gz IZWVVKMVZMOYMB-IBGZPJMESA-N 2 2 335.536 3.140 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900327308 1317272540 /nfs/dbraw/zinc/27/25/40/1317272540.db2.gz PEWYKOUZJPRLSZ-JKSUJKDBSA-N 2 2 348.516 3.084 20 0 EGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900327308 1317272545 /nfs/dbraw/zinc/27/25/45/1317272545.db2.gz PEWYKOUZJPRLSZ-JKSUJKDBSA-N 2 2 348.516 3.084 20 0 EGADLP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000806134086 1317462989 /nfs/dbraw/zinc/46/29/89/1317462989.db2.gz GRPCOLZLQMOPMC-UKRRQHHQSA-N 2 2 325.334 3.072 20 0 EGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cn1 ZINC000806131988 1317463232 /nfs/dbraw/zinc/46/32/32/1317463232.db2.gz QSIQFMBFRFZKMX-OAHLLOKOSA-N 2 2 339.830 3.401 20 0 EGADLP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000957706690 1317579292 /nfs/dbraw/zinc/57/92/92/1317579292.db2.gz PYHQQRUOPHTDCV-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000957706690 1317579296 /nfs/dbraw/zinc/57/92/96/1317579296.db2.gz PYHQQRUOPHTDCV-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c(C)c1 ZINC000902443804 1317579851 /nfs/dbraw/zinc/57/98/51/1317579851.db2.gz MFHSZFFMXOIWQO-QFIXIFRTSA-N 2 2 337.467 3.235 20 0 EGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1SC(F)(F)F ZINC000902514778 1317585052 /nfs/dbraw/zinc/58/50/52/1317585052.db2.gz PUHJKXGNVUKHQF-WCQYABFASA-N 2 2 334.407 3.155 20 0 EGADLP CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000957759822 1317625853 /nfs/dbraw/zinc/62/58/53/1317625853.db2.gz CXUHCDYPANNYGY-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+](CC1CCCCC1)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000957759822 1317625858 /nfs/dbraw/zinc/62/58/58/1317625858.db2.gz CXUHCDYPANNYGY-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903726457 1317726337 /nfs/dbraw/zinc/72/63/37/1317726337.db2.gz LXEPRPDIXFQTQL-CXAGYDPISA-N 2 2 341.282 3.120 20 0 EGADLP Clc1ccc2c(c1Cl)CC[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903726457 1317726342 /nfs/dbraw/zinc/72/63/42/1317726342.db2.gz LXEPRPDIXFQTQL-CXAGYDPISA-N 2 2 341.282 3.120 20 0 EGADLP CC[NH+]1CCC([N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809543652 1317829099 /nfs/dbraw/zinc/82/90/99/1317829099.db2.gz SRMYOTJPZXYLHP-UHFFFAOYSA-N 2 2 341.540 3.438 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000809543652 1317829108 /nfs/dbraw/zinc/82/91/08/1317829108.db2.gz SRMYOTJPZXYLHP-UHFFFAOYSA-N 2 2 341.540 3.438 20 0 EGADLP Cc1cn2cc(NC(=O)N3CCCC[C@@H]3C3(C[NH3+])CCC3)ccc2[nH+]1 ZINC000904328462 1317832047 /nfs/dbraw/zinc/83/20/47/1317832047.db2.gz OWMLHVLLLOWMSM-MRXNPFEDSA-N 2 2 341.459 3.158 20 0 EGADLP CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000958790976 1317846211 /nfs/dbraw/zinc/84/62/11/1317846211.db2.gz LUGFFNCRFGKEPE-HXUWFJFHSA-N 2 2 348.450 3.301 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361918 1328745734 /nfs/dbraw/zinc/74/57/34/1328745734.db2.gz HUUYGELKYYXXCA-FPMFFAJLSA-N 2 2 346.368 3.358 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1C(F)(F)F ZINC000858361918 1328745740 /nfs/dbraw/zinc/74/57/40/1328745740.db2.gz HUUYGELKYYXXCA-FPMFFAJLSA-N 2 2 346.368 3.358 20 0 EGADLP [NH3+]C1CC([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000906510925 1318110993 /nfs/dbraw/zinc/11/09/93/1318110993.db2.gz NXILBHULNHVWGV-UHFFFAOYSA-N 2 2 327.375 3.408 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001021298981 1318176315 /nfs/dbraw/zinc/17/63/15/1318176315.db2.gz CLAXOJNLGVARLJ-FSESFWSOSA-N 2 2 344.846 3.041 20 0 EGADLP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001021298981 1318176321 /nfs/dbraw/zinc/17/63/21/1318176321.db2.gz CLAXOJNLGVARLJ-FSESFWSOSA-N 2 2 344.846 3.041 20 0 EGADLP CC(C)C[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)n1cc[nH+]c1 ZINC000908491168 1318352940 /nfs/dbraw/zinc/35/29/40/1318352940.db2.gz UKSNTEHCDVGUSW-GOSISDBHSA-N 2 2 346.519 3.241 20 0 EGADLP CC1(C)CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC000960225782 1318420559 /nfs/dbraw/zinc/42/05/59/1318420559.db2.gz JEINDGNOIZGJHK-SFHVURJKSA-N 2 2 346.519 3.070 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@H]21 ZINC001021723438 1318612775 /nfs/dbraw/zinc/61/27/75/1318612775.db2.gz UMHGEDNUBUEHLG-SJLPKXTDSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@H]21 ZINC001021723438 1318612784 /nfs/dbraw/zinc/61/27/84/1318612784.db2.gz UMHGEDNUBUEHLG-SJLPKXTDSA-N 2 2 346.519 3.010 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000858490746 1328777403 /nfs/dbraw/zinc/77/74/03/1328777403.db2.gz NITZKRGUVJYOPM-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000858490746 1328777405 /nfs/dbraw/zinc/77/74/05/1328777405.db2.gz NITZKRGUVJYOPM-NEPJUHHUSA-N 2 2 344.272 3.366 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)c[nH+]1 ZINC001022273874 1318870159 /nfs/dbraw/zinc/87/01/59/1318870159.db2.gz CZXVYNUHEDRUHE-HDICACEKSA-N 2 2 344.503 3.054 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022288143 1318879512 /nfs/dbraw/zinc/87/95/12/1318879512.db2.gz XCSTUWNMDKUTDJ-OIISXLGYSA-N 2 2 348.450 3.483 20 0 EGADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1SC(C)(C)C ZINC000815570003 1319017797 /nfs/dbraw/zinc/01/77/97/1319017797.db2.gz NSISUKDHRQZAIL-OAHLLOKOSA-N 2 2 349.544 3.002 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915979 1319062475 /nfs/dbraw/zinc/06/24/75/1319062475.db2.gz ZKIPPLNFWBTDTC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915979 1319062476 /nfs/dbraw/zinc/06/24/76/1319062476.db2.gz ZKIPPLNFWBTDTC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960915979 1319062480 /nfs/dbraw/zinc/06/24/80/1319062480.db2.gz ZKIPPLNFWBTDTC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960915979 1319062484 /nfs/dbraw/zinc/06/24/84/1319062484.db2.gz ZKIPPLNFWBTDTC-QFBILLFUSA-N 2 2 346.519 3.091 20 0 EGADLP C[N@H+](C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960985550 1319118003 /nfs/dbraw/zinc/11/80/03/1319118003.db2.gz YHSLQIFKWXZVHI-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)CC1CCCCC1 ZINC000960985550 1319118007 /nfs/dbraw/zinc/11/80/07/1319118007.db2.gz YHSLQIFKWXZVHI-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP C[C@H]([NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1)[C@@H]1CCC[NH2+]1 ZINC000817902145 1319455660 /nfs/dbraw/zinc/45/56/60/1319455660.db2.gz JGXQPASUYIRVIN-NDXORKPFSA-N 2 2 340.467 3.029 20 0 EGADLP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413914 1319568837 /nfs/dbraw/zinc/56/88/37/1319568837.db2.gz HALJEUDVEWPVLL-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413914 1319568847 /nfs/dbraw/zinc/56/88/47/1319568847.db2.gz HALJEUDVEWPVLL-MJGOQNOKSA-N 2 2 346.519 3.195 20 0 EGADLP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413915 1319568949 /nfs/dbraw/zinc/56/89/49/1319568949.db2.gz HALJEUDVEWPVLL-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000961413915 1319568955 /nfs/dbraw/zinc/56/89/55/1319568955.db2.gz HALJEUDVEWPVLL-PKOBYXMFSA-N 2 2 346.519 3.195 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585616 1319707681 /nfs/dbraw/zinc/70/76/81/1319707681.db2.gz IBLZWMDYCCQTPF-HOTGVXAUSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585616 1319707689 /nfs/dbraw/zinc/70/76/89/1319707689.db2.gz IBLZWMDYCCQTPF-HOTGVXAUSA-N 2 2 346.519 3.094 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCO1 ZINC000823944235 1320217673 /nfs/dbraw/zinc/21/76/73/1320217673.db2.gz UHNGHORWAWRECR-YLJYHZDGSA-N 2 2 331.504 3.269 20 0 EGADLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)c2)[nH+]c1C ZINC000827598761 1320461585 /nfs/dbraw/zinc/46/15/85/1320461585.db2.gz BYKZDURXIPSXEA-ZWKOTPCHSA-N 2 2 338.455 3.268 20 0 EGADLP CCCC[C@@H](C)[N@H+](CCCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000840091174 1321026672 /nfs/dbraw/zinc/02/66/72/1321026672.db2.gz JUBKYXOSYOLGRO-SJORKVTESA-N 2 2 334.508 3.374 20 0 EGADLP CCCC[C@@H](C)[N@@H+](CCCC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000840091174 1321026679 /nfs/dbraw/zinc/02/66/79/1321026679.db2.gz JUBKYXOSYOLGRO-SJORKVTESA-N 2 2 334.508 3.374 20 0 EGADLP CC[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H](O)C(C)C ZINC000840882600 1321169330 /nfs/dbraw/zinc/16/93/30/1321169330.db2.gz QIQIVWTUPKWZTH-PMACEKPBSA-N 2 2 333.520 3.107 20 0 EGADLP CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841026674 1321203717 /nfs/dbraw/zinc/20/37/17/1321203717.db2.gz ORDBSKSDNBEMQN-UHFFFAOYSA-N 2 2 332.879 3.491 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841100500 1321218091 /nfs/dbraw/zinc/21/80/91/1321218091.db2.gz FAJLIPVXTYPKIN-WMLDXEAASA-N 2 2 346.906 3.310 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841100500 1321218095 /nfs/dbraw/zinc/21/80/95/1321218095.db2.gz FAJLIPVXTYPKIN-WMLDXEAASA-N 2 2 346.906 3.310 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1SC(F)(F)F ZINC000843385872 1321509637 /nfs/dbraw/zinc/50/96/37/1321509637.db2.gz ASJCNNQPFCDFHC-CHWSQXEVSA-N 2 2 346.418 3.491 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1SC(F)(F)F ZINC000843385872 1321509641 /nfs/dbraw/zinc/50/96/41/1321509641.db2.gz ASJCNNQPFCDFHC-CHWSQXEVSA-N 2 2 346.418 3.491 20 0 EGADLP C[C@@H](CC(=O)O[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508870 1321714662 /nfs/dbraw/zinc/71/46/62/1321714662.db2.gz KMSMKTSRIYZQGW-JENIJYKNSA-N 2 2 341.455 3.288 20 0 EGADLP C[C@@H](CC(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000845508870 1321714664 /nfs/dbraw/zinc/71/46/64/1321714664.db2.gz KMSMKTSRIYZQGW-JENIJYKNSA-N 2 2 341.455 3.288 20 0 EGADLP COC(=O)/C=C/c1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)o1 ZINC000848891070 1322032113 /nfs/dbraw/zinc/03/21/13/1322032113.db2.gz NKJZBPINEARWLE-VAWYXSNFSA-N 2 2 334.460 3.210 20 0 EGADLP COC(=O)/C=C/c1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)o1 ZINC000848891070 1322032118 /nfs/dbraw/zinc/03/21/18/1322032118.db2.gz NKJZBPINEARWLE-VAWYXSNFSA-N 2 2 334.460 3.210 20 0 EGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)c(F)c1 ZINC000920425480 1322176196 /nfs/dbraw/zinc/17/61/96/1322176196.db2.gz LGQSLPPIPMUQCC-SFHVURJKSA-N 2 2 347.340 3.113 20 0 EGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1cnn(C)n1 ZINC000924871505 1323194901 /nfs/dbraw/zinc/19/49/01/1323194901.db2.gz XTIOBZQDIZNHIL-INIZCTEOSA-N 2 2 327.476 3.042 20 0 EGADLP O=C(NC[C@H]1CCCC[N@@H+]1CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510405 1323457672 /nfs/dbraw/zinc/45/76/72/1323457672.db2.gz LHIVZODQAYZYGC-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(NC[C@H]1CCCC[N@H+]1CC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001024510405 1323457679 /nfs/dbraw/zinc/45/76/79/1323457679.db2.gz LHIVZODQAYZYGC-QGZVFWFLSA-N 2 2 340.471 3.337 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000931329788 1329095982 /nfs/dbraw/zinc/09/59/82/1329095982.db2.gz GBEBGLCVOAAGNE-GOSISDBHSA-N 2 2 336.520 3.055 20 0 EGADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000860030593 1329130610 /nfs/dbraw/zinc/13/06/10/1329130610.db2.gz SEJQRTRRLGSMHL-AWEZNQCLSA-N 2 2 335.319 3.147 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCC(C)C ZINC001025296546 1324127886 /nfs/dbraw/zinc/12/78/86/1324127886.db2.gz KELOALZBYVHBMJ-MOPGFXCFSA-N 2 2 346.519 3.152 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC(C)C ZINC001025296546 1324127892 /nfs/dbraw/zinc/12/78/92/1324127892.db2.gz KELOALZBYVHBMJ-MOPGFXCFSA-N 2 2 346.519 3.152 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001025460210 1324303761 /nfs/dbraw/zinc/30/37/61/1324303761.db2.gz XUGFDIQVNPQBFG-VOIRRYAFSA-N 2 2 346.862 3.146 20 0 EGADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001025460210 1324303766 /nfs/dbraw/zinc/30/37/66/1324303766.db2.gz XUGFDIQVNPQBFG-VOIRRYAFSA-N 2 2 346.862 3.146 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000931724278 1329171745 /nfs/dbraw/zinc/17/17/45/1329171745.db2.gz BFEGTNFZEODUOR-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000931724278 1329171748 /nfs/dbraw/zinc/17/17/48/1329171748.db2.gz BFEGTNFZEODUOR-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000931724278 1329171751 /nfs/dbraw/zinc/17/17/51/1329171751.db2.gz BFEGTNFZEODUOR-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccc(OCC(F)(F)F)cc1 ZINC000931724278 1329171753 /nfs/dbraw/zinc/17/17/53/1329171753.db2.gz BFEGTNFZEODUOR-LSDHHAIUSA-N 2 2 328.378 3.296 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC3CCC([NH2+]CC4CCC4)CC3)ccn12 ZINC001026494360 1324847570 /nfs/dbraw/zinc/84/75/70/1324847570.db2.gz LRCBJVJWHIFYPB-UHFFFAOYSA-N 2 2 340.471 3.073 20 0 EGADLP Cc1cc(C)c(C(=O)NC2CCC([NH2+]CC3CCC3)CC2)c(C)[nH+]1 ZINC001026531429 1324870287 /nfs/dbraw/zinc/87/02/87/1324870287.db2.gz HCNCKDUPKSPWSZ-UHFFFAOYSA-N 2 2 329.488 3.438 20 0 EGADLP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000925791531 1325302999 /nfs/dbraw/zinc/30/29/99/1325302999.db2.gz AMLAMTANJRPVDZ-DZGCQCFKSA-N 2 2 340.414 3.097 20 0 EGADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cnc2ccsc2c1 ZINC000925798738 1325306816 /nfs/dbraw/zinc/30/68/16/1325306816.db2.gz RZDPJKWQLGAFLC-UKRRQHHQSA-N 2 2 331.485 3.106 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1cnnn1-c1ccccc1)[NH+]1CCCCC1 ZINC000926147158 1325448101 /nfs/dbraw/zinc/44/81/01/1325448101.db2.gz YNIKNSAMDINCAW-IRXDYDNUSA-N 2 2 327.476 3.182 20 0 EGADLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ncc(C(F)(F)F)cc1Cl ZINC000926207607 1325470970 /nfs/dbraw/zinc/47/09/70/1325470970.db2.gz SZPIRKGEKHWAPZ-VIFPVBQESA-N 2 2 332.757 3.381 20 0 EGADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cc(C4CC4)nn3C)CC2)C1 ZINC000927099639 1327861800 /nfs/dbraw/zinc/86/18/00/1327861800.db2.gz RILOEBXKSUMUSJ-QAPCUYQASA-N 2 2 330.520 3.430 20 0 EGADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027971142 1328442880 /nfs/dbraw/zinc/44/28/80/1328442880.db2.gz ZTGBJIONENWUIF-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP O=C(NC[C@@H]1CCC[N@H+]1CC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001027971142 1328442886 /nfs/dbraw/zinc/44/28/86/1328442886.db2.gz ZTGBJIONENWUIF-KRWDZBQOSA-N 2 2 338.455 3.258 20 0 EGADLP CC1(C)CC(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027970655 1328443628 /nfs/dbraw/zinc/44/36/28/1328443628.db2.gz OCLRMPCJTLVJME-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC(C[N@H+]2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027970655 1328443634 /nfs/dbraw/zinc/44/36/34/1328443634.db2.gz OCLRMPCJTLVJME-MRXNPFEDSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC(C[N@@H+]2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027970654 1328444212 /nfs/dbraw/zinc/44/42/12/1328444212.db2.gz OCLRMPCJTLVJME-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC(C[N@H+]2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001027970654 1328444217 /nfs/dbraw/zinc/44/42/17/1328444217.db2.gz OCLRMPCJTLVJME-INIZCTEOSA-N 2 2 340.471 3.193 20 0 EGADLP c1ccc(CNc2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)nc[nH+]2)cc1 ZINC000865550892 1329712780 /nfs/dbraw/zinc/71/27/80/1329712780.db2.gz NPEYNOMFAFJJSV-SFHVURJKSA-N 2 2 337.471 3.011 20 0 EGADLP C[N@@H+]1CCCC12CCN(c1cc(NCc3ccccc3)[nH+]cn1)CC2 ZINC000865655345 1329725923 /nfs/dbraw/zinc/72/59/23/1329725923.db2.gz DXYPQKANOXFGPI-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP C[N@H+]1CCCC12CCN(c1cc(NCc3ccccc3)[nH+]cn1)CC2 ZINC000865655345 1329725924 /nfs/dbraw/zinc/72/59/24/1329725924.db2.gz DXYPQKANOXFGPI-UHFFFAOYSA-N 2 2 337.471 3.153 20 0 EGADLP c1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)nc1 ZINC000932383467 1329810660 /nfs/dbraw/zinc/81/06/60/1329810660.db2.gz DTMREJLAJWMUBT-NRFANRHFSA-N 2 2 337.467 3.155 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802450 1329841760 /nfs/dbraw/zinc/84/17/60/1329841760.db2.gz UMXKKPRSSFLEMK-HOTGVXAUSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000932802450 1329841762 /nfs/dbraw/zinc/84/17/62/1329841762.db2.gz UMXKKPRSSFLEMK-HOTGVXAUSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000934278811 1329961122 /nfs/dbraw/zinc/96/11/22/1329961122.db2.gz SCFQMCFASMXEBB-CRAIPNDOSA-N 2 2 348.450 3.346 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000934278811 1329961123 /nfs/dbraw/zinc/96/11/23/1329961123.db2.gz SCFQMCFASMXEBB-CRAIPNDOSA-N 2 2 348.450 3.346 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000935392282 1330049692 /nfs/dbraw/zinc/04/96/92/1330049692.db2.gz SZXGUEQBXFGUKT-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935392282 1330049694 /nfs/dbraw/zinc/04/96/94/1330049694.db2.gz SZXGUEQBXFGUKT-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CC1(C)OCCO1 ZINC000866425231 1330110194 /nfs/dbraw/zinc/11/01/94/1330110194.db2.gz SNRISKDAUZHQEJ-HOTGVXAUSA-N 2 2 329.444 3.312 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180815 1331863862 /nfs/dbraw/zinc/86/38/62/1331863862.db2.gz KPNNZKPFLUKIBE-QAPCUYQASA-N 2 2 348.535 3.189 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](C)C1 ZINC000942180815 1331863864 /nfs/dbraw/zinc/86/38/64/1331863864.db2.gz KPNNZKPFLUKIBE-QAPCUYQASA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC000942180752 1331864524 /nfs/dbraw/zinc/86/45/24/1331864524.db2.gz JGPAWAZANHDCSC-WBVHZDCISA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC000942180752 1331864529 /nfs/dbraw/zinc/86/45/29/1331864529.db2.gz JGPAWAZANHDCSC-WBVHZDCISA-N 2 2 348.535 3.189 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1Cc1ccccc1 ZINC000947540524 1333163939 /nfs/dbraw/zinc/16/39/39/1333163939.db2.gz VAPNQXQYVZSMLJ-AEFFLSMTSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1Cc1ccccc1 ZINC000947540524 1333163941 /nfs/dbraw/zinc/16/39/41/1333163941.db2.gz VAPNQXQYVZSMLJ-AEFFLSMTSA-N 2 2 348.450 3.117 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCC(C)(C)C ZINC000947540390 1333164198 /nfs/dbraw/zinc/16/41/98/1333164198.db2.gz SNYZIQIXGRMMBK-HZPDHXFCSA-N 2 2 342.487 3.353 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCC(C)(C)C ZINC000947540390 1333164200 /nfs/dbraw/zinc/16/42/00/1333164200.db2.gz SNYZIQIXGRMMBK-HZPDHXFCSA-N 2 2 342.487 3.353 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947979120 1333330063 /nfs/dbraw/zinc/33/00/63/1333330063.db2.gz AXBVCIUHIJXRIN-QAPCUYQASA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@H](C)C1 ZINC000947979120 1333330066 /nfs/dbraw/zinc/33/00/66/1333330066.db2.gz AXBVCIUHIJXRIN-QAPCUYQASA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947979121 1333330441 /nfs/dbraw/zinc/33/04/41/1333330441.db2.gz AXBVCIUHIJXRIN-YJBOKZPZSA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H](C)C1 ZINC000947979121 1333330443 /nfs/dbraw/zinc/33/04/43/1333330443.db2.gz AXBVCIUHIJXRIN-YJBOKZPZSA-N 2 2 344.503 3.120 20 0 EGADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000948583813 1333585430 /nfs/dbraw/zinc/58/54/30/1333585430.db2.gz BOQNNXGGYICFHB-UHFFFAOYSA-N 2 2 347.528 3.068 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1C ZINC000968596383 1335978075 /nfs/dbraw/zinc/97/80/75/1335978075.db2.gz ISDQANMYOFVDBG-HNAYVOBHSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)CC[C@@H]1C ZINC000968596383 1335978078 /nfs/dbraw/zinc/97/80/78/1335978078.db2.gz ISDQANMYOFVDBG-HNAYVOBHSA-N 2 2 346.519 3.058 20 0 EGADLP CCCC[NH+]1CCC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001006233160 1336472897 /nfs/dbraw/zinc/47/28/97/1336472897.db2.gz SXSZPLMHGDNJCR-UHFFFAOYSA-N 2 2 340.471 3.209 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001007594653 1336672765 /nfs/dbraw/zinc/67/27/65/1336672765.db2.gz IJZZUXGVOAPIPN-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)c[nH+]1 ZINC001007594653 1336672768 /nfs/dbraw/zinc/67/27/68/1336672768.db2.gz IJZZUXGVOAPIPN-GOSISDBHSA-N 2 2 346.519 3.088 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088654 1336766919 /nfs/dbraw/zinc/76/69/19/1336766919.db2.gz MTYCKNAOBSSCNK-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001008088654 1336766922 /nfs/dbraw/zinc/76/69/22/1336766922.db2.gz MTYCKNAOBSSCNK-AEFFLSMTSA-N 2 2 340.471 3.113 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CC23CC[NH+](CC2CCC2)CC3)c(C)[nH+]1 ZINC001016742443 1338708744 /nfs/dbraw/zinc/70/87/44/1338708744.db2.gz KCTBTYBSYQRFQC-SFHVURJKSA-N 2 2 341.499 3.391 20 0 EGADLP CC1(C)CC(C[N@@H+]2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001028632584 1340734987 /nfs/dbraw/zinc/73/49/87/1340734987.db2.gz NBIKBNDIXSVPNN-AWEZNQCLSA-N 2 2 340.471 3.051 20 0 EGADLP CC1(C)CC(C[N@H+]2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001028632584 1340734988 /nfs/dbraw/zinc/73/49/88/1340734988.db2.gz NBIKBNDIXSVPNN-AWEZNQCLSA-N 2 2 340.471 3.051 20 0 EGADLP CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001029768648 1341067761 /nfs/dbraw/zinc/06/77/61/1341067761.db2.gz GLTWGQYGPJLLHA-HWOWSKLDSA-N 2 2 340.471 3.003 20 0 EGADLP CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001029768648 1341067763 /nfs/dbraw/zinc/06/77/63/1341067763.db2.gz GLTWGQYGPJLLHA-HWOWSKLDSA-N 2 2 340.471 3.003 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[N@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001029789538 1341073344 /nfs/dbraw/zinc/07/33/44/1341073344.db2.gz XEEWGBOCYSTQJZ-GOSISDBHSA-N 2 2 329.488 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCC3)C2)c(C)[nH+]1 ZINC001029789538 1341073345 /nfs/dbraw/zinc/07/33/45/1341073345.db2.gz XEEWGBOCYSTQJZ-GOSISDBHSA-N 2 2 329.488 3.201 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001029788786 1341073377 /nfs/dbraw/zinc/07/33/77/1341073377.db2.gz FEZXNGGVZXQFKY-WHDUELSGSA-N 2 2 343.515 3.447 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC(C)C3)C2)c(C)[nH+]1 ZINC001029788786 1341073378 /nfs/dbraw/zinc/07/33/78/1341073378.db2.gz FEZXNGGVZXQFKY-WHDUELSGSA-N 2 2 343.515 3.447 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001030532069 1341195485 /nfs/dbraw/zinc/19/54/85/1341195485.db2.gz DRQAUZKSTWVQFZ-OXQOHEQNSA-N 2 2 343.515 3.156 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001030532069 1341195486 /nfs/dbraw/zinc/19/54/86/1341195486.db2.gz DRQAUZKSTWVQFZ-OXQOHEQNSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001031050861 1341269923 /nfs/dbraw/zinc/26/99/23/1341269923.db2.gz ZULLCTOADWUJCT-FXAWDEMLSA-N 2 2 343.515 3.119 20 0 EGADLP Cc1ccccc1[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001031050861 1341269924 /nfs/dbraw/zinc/26/99/24/1341269924.db2.gz ZULLCTOADWUJCT-FXAWDEMLSA-N 2 2 343.515 3.119 20 0 EGADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031049379 1341270106 /nfs/dbraw/zinc/27/01/06/1341270106.db2.gz CJDLTTXRHJKDIV-XLIONFOSSA-N 2 2 343.515 3.203 20 0 EGADLP Cc1ccc(C)c(C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001031768701 1341399175 /nfs/dbraw/zinc/39/91/75/1341399175.db2.gz LCJQUNFYFLBBLE-UHFFFAOYSA-N 2 2 348.450 3.042 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1)n1cc[nH+]c1 ZINC001032657051 1341572401 /nfs/dbraw/zinc/57/24/01/1341572401.db2.gz VANQYFLMHZEXKI-WDSOQIARSA-N 2 2 342.487 3.010 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1=CCCCC1)n1cc[nH+]c1 ZINC001032657051 1341572402 /nfs/dbraw/zinc/57/24/02/1341572402.db2.gz VANQYFLMHZEXKI-WDSOQIARSA-N 2 2 342.487 3.010 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001033592254 1341887691 /nfs/dbraw/zinc/88/76/91/1341887691.db2.gz YCJKPBWQMJNTKD-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001033592254 1341887692 /nfs/dbraw/zinc/88/76/92/1341887692.db2.gz YCJKPBWQMJNTKD-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@H+](CC4CCC4)C3)ccn12 ZINC001034206109 1342317396 /nfs/dbraw/zinc/31/73/96/1342317396.db2.gz GMEFRWPDFLTOBG-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@@H+](CC4CCC4)C3)ccn12 ZINC001034206109 1342317400 /nfs/dbraw/zinc/31/74/00/1342317400.db2.gz GMEFRWPDFLTOBG-SFHVURJKSA-N 2 2 340.471 3.027 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391459 1342460614 /nfs/dbraw/zinc/46/06/14/1342460614.db2.gz MTEMGQNLXRAEBE-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391459 1342460615 /nfs/dbraw/zinc/46/06/15/1342460615.db2.gz MTEMGQNLXRAEBE-HZPDHXFCSA-N 2 2 346.519 3.237 20 0 EGADLP C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001036475777 1343506006 /nfs/dbraw/zinc/50/60/06/1343506006.db2.gz XVDFOLGGKMOCHC-HKUYNNGSSA-N 2 2 346.519 3.070 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751171 1343673642 /nfs/dbraw/zinc/67/36/42/1343673642.db2.gz YYWARPBZMCHVRS-BEFAXECRSA-N 2 2 340.471 3.145 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001036751171 1343673644 /nfs/dbraw/zinc/67/36/44/1343673644.db2.gz YYWARPBZMCHVRS-BEFAXECRSA-N 2 2 340.471 3.145 20 0 EGADLP O=C(N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)c1cc2c[nH+]ccc2[nH]1 ZINC001037029900 1343938125 /nfs/dbraw/zinc/93/81/25/1343938125.db2.gz IALAMCXTEYZIRX-FUHWJXTLSA-N 2 2 348.450 3.251 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCC2)c(C)[nH+]1 ZINC001037046845 1343947825 /nfs/dbraw/zinc/94/78/25/1343947825.db2.gz PXWOOHORHSEEPI-ROUUACIJSA-N 2 2 329.488 3.295 20 0 EGADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001037995873 1344226522 /nfs/dbraw/zinc/22/65/22/1344226522.db2.gz HUIJWMDORKOUNT-OALUTQOASA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392630 1345042085 /nfs/dbraw/zinc/04/20/85/1345042085.db2.gz XWYKBRSPGIJXCT-JQHSSLGASA-N 2 2 346.519 3.038 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001039392630 1345042091 /nfs/dbraw/zinc/04/20/91/1345042091.db2.gz XWYKBRSPGIJXCT-JQHSSLGASA-N 2 2 346.519 3.038 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493511 1345518995 /nfs/dbraw/zinc/51/89/95/1345518995.db2.gz MRVFLQKOTIQXNO-OXJNMPFZSA-N 2 2 346.519 3.048 20 0 EGADLP CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001040493511 1345518999 /nfs/dbraw/zinc/51/89/99/1345518999.db2.gz MRVFLQKOTIQXNO-OXJNMPFZSA-N 2 2 346.519 3.048 20 0 EGADLP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001040868523 1345590166 /nfs/dbraw/zinc/59/01/66/1345590166.db2.gz UNTGPPLBFKUWSP-SFHVURJKSA-N 2 2 346.519 3.195 20 0 EGADLP CN(C(=O)c1sccc1C[NH+](C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001042821792 1346119651 /nfs/dbraw/zinc/11/96/51/1346119651.db2.gz IHNIFPHLYHKSKG-UHFFFAOYSA-N 2 2 349.544 3.146 20 0 EGADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2=CCCCC2)C1 ZINC001044168187 1346264980 /nfs/dbraw/zinc/26/49/80/1346264980.db2.gz FTFRBFCLVCCHBM-FQEVSTJZSA-N 2 2 347.547 3.284 20 0 EGADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CC2=CCCCC2)C1 ZINC001044168187 1346264981 /nfs/dbraw/zinc/26/49/81/1346264981.db2.gz FTFRBFCLVCCHBM-FQEVSTJZSA-N 2 2 347.547 3.284 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628721 1346387063 /nfs/dbraw/zinc/38/70/63/1346387063.db2.gz XWCYWDCKHCFAJN-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628721 1346387065 /nfs/dbraw/zinc/38/70/65/1346387065.db2.gz XWCYWDCKHCFAJN-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001044646492 1346391866 /nfs/dbraw/zinc/39/18/66/1346391866.db2.gz BNNXDBGARMSHQS-CRAIPNDOSA-N 2 2 348.450 3.346 20 0 EGADLP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046738723 1347077762 /nfs/dbraw/zinc/07/77/62/1347077762.db2.gz BLMYSMVIZXMOJO-HXUWFJFHSA-N 2 2 338.455 3.033 20 0 EGADLP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001046738723 1347077766 /nfs/dbraw/zinc/07/77/66/1347077766.db2.gz BLMYSMVIZXMOJO-HXUWFJFHSA-N 2 2 338.455 3.033 20 0 EGADLP CCC[NH+]1CCC([C@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001047265127 1347286185 /nfs/dbraw/zinc/28/61/85/1347286185.db2.gz XHFRQYKDZAJISX-KRWDZBQOSA-N 2 2 346.519 3.048 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([C@H](C)[NH2+]CC3CCC3)C2)c(C)[nH+]1 ZINC001047910703 1347406542 /nfs/dbraw/zinc/40/65/42/1347406542.db2.gz UPYPYOVVVFUPLX-MAUKXSAKSA-N 2 2 329.488 3.247 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001048041920 1347448995 /nfs/dbraw/zinc/44/89/95/1347448995.db2.gz ZVBOWDAZFAXTDB-RDJZCZTQSA-N 2 2 346.519 3.094 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CC3CCCC3)[C@H](C)C2)c(C)[nH+]1 ZINC001048324256 1347518498 /nfs/dbraw/zinc/51/84/98/1347518498.db2.gz XCYHIMSIHWBQFE-DNVCBOLYSA-N 2 2 343.515 3.495 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049554013 1347906131 /nfs/dbraw/zinc/90/61/31/1347906131.db2.gz YVBNCDZDKOIGIL-MOPGFXCFSA-N 2 2 338.455 3.042 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049554013 1347906134 /nfs/dbraw/zinc/90/61/34/1347906134.db2.gz YVBNCDZDKOIGIL-MOPGFXCFSA-N 2 2 338.455 3.042 20 0 EGADLP CC[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001050252966 1348219080 /nfs/dbraw/zinc/21/90/80/1348219080.db2.gz GKCRNRIFAWAGJI-UHFFFAOYSA-N 2 2 348.450 3.254 20 0 EGADLP CC[N@@H+](C)Cc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001050252966 1348219083 /nfs/dbraw/zinc/21/90/83/1348219083.db2.gz GKCRNRIFAWAGJI-UHFFFAOYSA-N 2 2 348.450 3.254 20 0 EGADLP C[C@@H]([NH2+]CC1CC1)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001050265009 1348222747 /nfs/dbraw/zinc/22/27/47/1348222747.db2.gz IXSJFBJRNHMKQK-OAHLLOKOSA-N 2 2 348.450 3.325 20 0 EGADLP CCC[N@@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051293222 1348422219 /nfs/dbraw/zinc/42/22/19/1348422219.db2.gz PMNHWUHKOCXYGT-UHFFFAOYSA-N 2 2 348.450 3.261 20 0 EGADLP CCC[N@H+]1CCc2c(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cccc2C1 ZINC001051293222 1348422221 /nfs/dbraw/zinc/42/22/21/1348422221.db2.gz PMNHWUHKOCXYGT-UHFFFAOYSA-N 2 2 348.450 3.261 20 0 EGADLP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499372 1348560351 /nfs/dbraw/zinc/56/03/51/1348560351.db2.gz UTEQWAAGNHVCSC-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001052499372 1348560353 /nfs/dbraw/zinc/56/03/53/1348560353.db2.gz UTEQWAAGNHVCSC-INIZCTEOSA-N 2 2 328.460 3.193 20 0 EGADLP C[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962472 1357440355 /nfs/dbraw/zinc/44/03/55/1357440355.db2.gz LQXYWJWHBRFNDW-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962472 1357440357 /nfs/dbraw/zinc/44/03/57/1357440357.db2.gz LQXYWJWHBRFNDW-AUUYWEPGSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH2+]CC1CCCCC1 ZINC001054798717 1349465262 /nfs/dbraw/zinc/46/52/62/1349465262.db2.gz YBBBFBKQYSKWKF-KUHUBIRLSA-N 2 2 340.471 3.193 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607093 1354791772 /nfs/dbraw/zinc/79/17/72/1354791772.db2.gz MWPOPGOWGQLMOR-FUHWJXTLSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC001071607093 1354791774 /nfs/dbraw/zinc/79/17/74/1354791774.db2.gz MWPOPGOWGQLMOR-FUHWJXTLSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC2=CCCCC2)C1 ZINC001072029583 1355090736 /nfs/dbraw/zinc/09/07/36/1355090736.db2.gz INAUZKKXLJAYAP-QAPCUYQASA-N 2 2 344.503 3.120 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2=CCCCC2)C1 ZINC001072029583 1355090739 /nfs/dbraw/zinc/09/07/39/1355090739.db2.gz INAUZKKXLJAYAP-QAPCUYQASA-N 2 2 344.503 3.120 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CC1CCC(C)(C)CC1 ZINC001072123008 1355142282 /nfs/dbraw/zinc/14/22/82/1355142282.db2.gz NEVKOYZXOPKGFX-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CC1CCC(C)(C)CC1 ZINC001072123008 1355142284 /nfs/dbraw/zinc/14/22/84/1355142284.db2.gz NEVKOYZXOPKGFX-FUHWJXTLSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCC1CCCCCC1 ZINC001072124305 1355142533 /nfs/dbraw/zinc/14/25/33/1355142533.db2.gz YZCSJZQMSHIAHM-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCC1CCCCCC1 ZINC001072124305 1355142537 /nfs/dbraw/zinc/14/25/37/1355142537.db2.gz YZCSJZQMSHIAHM-HKUYNNGSSA-N 2 2 346.519 3.213 20 0 EGADLP COc1cc(CC[NH2+][C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)ccn1 ZINC001183238791 1387283422 /nfs/dbraw/zinc/28/34/22/1387283422.db2.gz PBIASKQZRRKIFJ-FXAWDEMLSA-N 2 2 339.483 3.275 20 0 EGADLP COc1cc(CC[NH2+][C@@H]2CC[C@H](C)[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001183238791 1387283425 /nfs/dbraw/zinc/28/34/25/1387283425.db2.gz PBIASKQZRRKIFJ-FXAWDEMLSA-N 2 2 339.483 3.275 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001183629951 1387325509 /nfs/dbraw/zinc/32/55/09/1387325509.db2.gz VFDICTCQQNACST-NCRRVARUSA-N 2 2 346.434 3.080 20 0 EGADLP CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905488 1358865057 /nfs/dbraw/zinc/86/50/57/1358865057.db2.gz GZGAOAOTJANUKR-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001085905488 1358865062 /nfs/dbraw/zinc/86/50/62/1358865062.db2.gz GZGAOAOTJANUKR-VQIMIIECSA-N 2 2 340.471 3.065 20 0 EGADLP CCC(CC)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001086950412 1359270773 /nfs/dbraw/zinc/27/07/73/1359270773.db2.gz ARHLKAZUGKEADJ-MRXNPFEDSA-N 2 2 346.519 3.091 20 0 EGADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001184273197 1387421994 /nfs/dbraw/zinc/42/19/94/1387421994.db2.gz JPTFBAIFNHLABK-IRXDYDNUSA-N 2 2 348.535 3.243 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088418503 1359888750 /nfs/dbraw/zinc/88/87/50/1359888750.db2.gz QLGWBSQLLQRXRO-GOSISDBHSA-N 2 2 344.503 3.122 20 0 EGADLP C[N@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089193036 1360242268 /nfs/dbraw/zinc/24/22/68/1360242268.db2.gz MIYQIDIABFAQGD-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP C[N@@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001089193036 1360242272 /nfs/dbraw/zinc/24/22/72/1360242272.db2.gz MIYQIDIABFAQGD-KRWDZBQOSA-N 2 2 340.471 3.290 20 0 EGADLP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001184660472 1387505757 /nfs/dbraw/zinc/50/57/57/1387505757.db2.gz MTYDFUACNDMAKX-GOSISDBHSA-N 2 2 340.471 3.257 20 0 EGADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001184904317 1387560000 /nfs/dbraw/zinc/56/00/00/1387560000.db2.gz QKIKEIWICQQNMZ-QZTJIDSGSA-N 2 2 348.535 3.174 20 0 EGADLP CCC/C=C\CC[NH2+]C1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001100445999 1364117797 /nfs/dbraw/zinc/11/77/97/1364117797.db2.gz KEYNLEURZTUFOI-PLNGDYQASA-N 2 2 340.471 3.407 20 0 EGADLP CCCCC[NH2+]CC(C)(C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001101536730 1364605232 /nfs/dbraw/zinc/60/52/32/1364605232.db2.gz XUHBLGFBVNRWAT-UHFFFAOYSA-N 2 2 348.535 3.387 20 0 EGADLP CC[C@@H](C)C[NH2+]CC(C)(C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001101560403 1364620073 /nfs/dbraw/zinc/62/00/73/1364620073.db2.gz ZERVMMYLIZVYJR-QGZVFWFLSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001101574040 1364628093 /nfs/dbraw/zinc/62/80/93/1364628093.db2.gz OODCXGNMCPROCI-MRXNPFEDSA-N 2 2 346.519 3.092 20 0 EGADLP CC[C@H](F)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253859 1365458499 /nfs/dbraw/zinc/45/84/99/1365458499.db2.gz QRYPODVSGQBMDJ-OLMNPRSZSA-N 2 2 349.494 3.443 20 0 EGADLP CC[C@H](F)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253859 1365458502 /nfs/dbraw/zinc/45/85/02/1365458502.db2.gz QRYPODVSGQBMDJ-OLMNPRSZSA-N 2 2 349.494 3.443 20 0 EGADLP CCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001104738499 1366151287 /nfs/dbraw/zinc/15/12/87/1366151287.db2.gz YCQCCVNVBJFXNX-FGTMMUONSA-N 2 2 334.508 3.099 20 0 EGADLP CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001105566211 1366534324 /nfs/dbraw/zinc/53/43/24/1366534324.db2.gz GRIYWHDKHWNDIN-QZTJIDSGSA-N 2 2 346.519 3.385 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC(C)C)CCC1 ZINC001105577104 1366541523 /nfs/dbraw/zinc/54/15/23/1366541523.db2.gz QMYBOTYQOPMVFA-SFHVURJKSA-N 2 2 346.519 3.058 20 0 EGADLP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106288989 1366644027 /nfs/dbraw/zinc/64/40/27/1366644027.db2.gz WGACZAJTXAJBEI-GUDVDZBRSA-N 2 2 346.519 3.121 20 0 EGADLP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C2)c(C)[nH+]1 ZINC001106455296 1366701005 /nfs/dbraw/zinc/70/10/05/1366701005.db2.gz KYQRQMUWLSELEZ-CRAIPNDOSA-N 2 2 331.504 3.351 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001106655175 1366766429 /nfs/dbraw/zinc/76/64/29/1366766429.db2.gz FGMLHJUWEULUQO-BRWVUGGUSA-N 2 2 346.519 3.094 20 0 EGADLP CCC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588122 1367059362 /nfs/dbraw/zinc/05/93/62/1367059362.db2.gz DIHZIDJSUXCPEK-UUSRSUCLSA-N 2 2 344.503 3.059 20 0 EGADLP CCC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001107588122 1367059366 /nfs/dbraw/zinc/05/93/66/1367059366.db2.gz DIHZIDJSUXCPEK-UUSRSUCLSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818496 1367358466 /nfs/dbraw/zinc/35/84/66/1367358466.db2.gz QBLQDHLUBRHQPE-RBUKOAKNSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1)n1cc[nH+]c1 ZINC001190818496 1367358473 /nfs/dbraw/zinc/35/84/73/1367358473.db2.gz QBLQDHLUBRHQPE-RBUKOAKNSA-N 2 2 346.519 3.193 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@@H+](C)C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899420 1367378420 /nfs/dbraw/zinc/37/84/20/1367378420.db2.gz JUMVLOGEBATIFD-FUHWJXTLSA-N 2 2 348.535 3.142 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)CC(C)C)C2)c[nH+]1 ZINC001190899420 1367378424 /nfs/dbraw/zinc/37/84/24/1367378424.db2.gz JUMVLOGEBATIFD-FUHWJXTLSA-N 2 2 348.535 3.142 20 0 EGADLP CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321449 1367476773 /nfs/dbraw/zinc/47/67/73/1367476773.db2.gz VCAIKLQOZSWOAV-FUTAKVPZSA-N 2 2 340.471 3.227 20 0 EGADLP CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001191321449 1367476777 /nfs/dbraw/zinc/47/67/77/1367476777.db2.gz VCAIKLQOZSWOAV-FUTAKVPZSA-N 2 2 340.471 3.227 20 0 EGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](CCC(F)(F)F)CC1CC1 ZINC001191416506 1367498994 /nfs/dbraw/zinc/49/89/94/1367498994.db2.gz JGIXGFRZGVYEKI-KRWDZBQOSA-N 2 2 344.421 3.144 20 0 EGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](CCC(F)(F)F)CC1CC1 ZINC001191416506 1367498997 /nfs/dbraw/zinc/49/89/97/1367498997.db2.gz JGIXGFRZGVYEKI-KRWDZBQOSA-N 2 2 344.421 3.144 20 0 EGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC001191416506 1367498999 /nfs/dbraw/zinc/49/89/99/1367498999.db2.gz JGIXGFRZGVYEKI-KRWDZBQOSA-N 2 2 344.421 3.144 20 0 EGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC001191416506 1367499003 /nfs/dbraw/zinc/49/90/03/1367499003.db2.gz JGIXGFRZGVYEKI-KRWDZBQOSA-N 2 2 344.421 3.144 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001108670849 1367524119 /nfs/dbraw/zinc/52/41/19/1367524119.db2.gz GLQFRGIHHPWDOZ-ULQDDVLXSA-N 2 2 346.519 3.138 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576934 1367823630 /nfs/dbraw/zinc/82/36/30/1367823630.db2.gz BJDBDIXOBNPHDA-IRXDYDNUSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001192576934 1367823635 /nfs/dbraw/zinc/82/36/35/1367823635.db2.gz BJDBDIXOBNPHDA-IRXDYDNUSA-N 2 2 334.508 3.193 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001111076379 1368153298 /nfs/dbraw/zinc/15/32/98/1368153298.db2.gz FJCANIMZWDXZQJ-TVFCKZIOSA-N 2 2 346.519 3.382 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)(C)C)n1cc[nH+]c1 ZINC001111076379 1368153304 /nfs/dbraw/zinc/15/33/04/1368153304.db2.gz FJCANIMZWDXZQJ-TVFCKZIOSA-N 2 2 346.519 3.382 20 0 EGADLP COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001325272617 1387926105 /nfs/dbraw/zinc/92/61/05/1387926105.db2.gz ACWMTAATKGQHTR-JKSUJKDBSA-N 2 2 348.406 3.327 20 0 EGADLP CC[NH+](CC)C1CCN(C(=O)c2cccc(-c3c[nH+]cn3C)c2)CC1 ZINC001194895624 1368343087 /nfs/dbraw/zinc/34/30/87/1368343087.db2.gz VRVWHHAHQYOUFC-UHFFFAOYSA-N 2 2 340.471 3.034 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001196242968 1368574175 /nfs/dbraw/zinc/57/41/75/1368574175.db2.gz RPILXKULTKPJJE-CTWPCTMYSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)C[C@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001196242968 1368574181 /nfs/dbraw/zinc/57/41/81/1368574181.db2.gz RPILXKULTKPJJE-CTWPCTMYSA-N 2 2 346.519 3.051 20 0 EGADLP CC(C)CC[N@@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243367 1368575505 /nfs/dbraw/zinc/57/55/05/1368575505.db2.gz ZBRXPOVTGZHQSA-SFHVURJKSA-N 2 2 334.508 3.051 20 0 EGADLP CC(C)CC[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001196243367 1368575507 /nfs/dbraw/zinc/57/55/07/1368575507.db2.gz ZBRXPOVTGZHQSA-SFHVURJKSA-N 2 2 334.508 3.051 20 0 EGADLP CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001112570143 1368932048 /nfs/dbraw/zinc/93/20/48/1368932048.db2.gz GKWMXXPATLFCIV-PXNSSMCTSA-N 2 2 346.519 3.059 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NC2(CC3CC3)CC2)cc1 ZINC001198041339 1368949037 /nfs/dbraw/zinc/94/90/37/1368949037.db2.gz BVSHIWIIAOTMDM-UHFFFAOYSA-N 2 2 343.515 3.133 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NC2(CC3CC3)CC2)cc1 ZINC001198041339 1368949043 /nfs/dbraw/zinc/94/90/43/1368949043.db2.gz BVSHIWIIAOTMDM-UHFFFAOYSA-N 2 2 343.515 3.133 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113016061 1369138676 /nfs/dbraw/zinc/13/86/76/1369138676.db2.gz RIJZVCYIHHTEFQ-SNAWJCMRSA-N 2 2 326.444 3.067 20 0 EGADLP CCC/C=C\CC[NH+]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001113016060 1369139130 /nfs/dbraw/zinc/13/91/30/1369139130.db2.gz RIJZVCYIHHTEFQ-PLNGDYQASA-N 2 2 326.444 3.067 20 0 EGADLP C[C@H]1Cc2cc(C[NH2+]CC3([NH+]4CCSCC4)CCCC3)ccc2O1 ZINC001199259835 1369198825 /nfs/dbraw/zinc/19/88/25/1369198825.db2.gz YMJZVYOJQYTHGX-INIZCTEOSA-N 2 2 346.540 3.461 20 0 EGADLP CCCCC[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001201182541 1369491519 /nfs/dbraw/zinc/49/15/19/1369491519.db2.gz IGTTWZZPOWOEPA-GOSISDBHSA-N 2 2 334.508 3.241 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001113724047 1369586612 /nfs/dbraw/zinc/58/66/12/1369586612.db2.gz DLVNLUJVCYUIDP-AATRIKPKSA-N 2 2 343.515 3.009 20 0 EGADLP CCC/C=C/CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001113724047 1369586617 /nfs/dbraw/zinc/58/66/17/1369586617.db2.gz DLVNLUJVCYUIDP-AATRIKPKSA-N 2 2 343.515 3.009 20 0 EGADLP CC1(C)CCC(C[NH+]2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001113723333 1369586988 /nfs/dbraw/zinc/58/69/88/1369586988.db2.gz RTWVDLSJUYCCCP-UHFFFAOYSA-N 2 2 346.519 3.024 20 0 EGADLP CCC/C=C/CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001202446367 1369773981 /nfs/dbraw/zinc/77/39/81/1369773981.db2.gz AZXDLWAZJUDLOQ-LAQIPUCWSA-N 2 2 344.503 3.157 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202856218 1369909793 /nfs/dbraw/zinc/90/97/93/1369909793.db2.gz QWOLZSDRNKWETC-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001202856218 1369909796 /nfs/dbraw/zinc/90/97/96/1369909796.db2.gz QWOLZSDRNKWETC-MRXNPFEDSA-N 2 2 346.519 3.139 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203033706 1369962239 /nfs/dbraw/zinc/96/22/39/1369962239.db2.gz BBZHACRTWWFEQX-UHFFFAOYSA-N 2 2 328.500 3.251 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203033706 1369962241 /nfs/dbraw/zinc/96/22/41/1369962241.db2.gz BBZHACRTWWFEQX-UHFFFAOYSA-N 2 2 328.500 3.251 20 0 EGADLP Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001203104224 1369984844 /nfs/dbraw/zinc/98/48/44/1369984844.db2.gz BGCRQUQUWBTAPZ-GOSISDBHSA-N 2 2 343.515 3.062 20 0 EGADLP Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC001203104224 1369984845 /nfs/dbraw/zinc/98/48/45/1369984845.db2.gz BGCRQUQUWBTAPZ-GOSISDBHSA-N 2 2 343.515 3.062 20 0 EGADLP CCCC[NH2+][C@@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C12CCC2 ZINC001203190950 1370017797 /nfs/dbraw/zinc/01/77/97/1370017797.db2.gz BQBBTBQXMIFWJE-IAGOWNOFSA-N 2 2 329.488 3.438 20 0 EGADLP CCc1[nH]c(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)c(C)[nH+]1 ZINC001203250491 1370040714 /nfs/dbraw/zinc/04/07/14/1370040714.db2.gz GLOTVCADVREZBD-UHFFFAOYSA-N 2 2 338.499 3.379 20 0 EGADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccs2)CC3)cn1 ZINC001204012874 1370347003 /nfs/dbraw/zinc/34/70/03/1370347003.db2.gz TYFYZLOKVHEELZ-UHFFFAOYSA-N 2 2 330.501 3.112 20 0 EGADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccs2)CC3)cn1 ZINC001204012874 1370347008 /nfs/dbraw/zinc/34/70/08/1370347008.db2.gz TYFYZLOKVHEELZ-UHFFFAOYSA-N 2 2 330.501 3.112 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3ccnc4ccccc34)CC2)CC1 ZINC001204089477 1370373494 /nfs/dbraw/zinc/37/34/94/1370373494.db2.gz CZPKCBNQIQJJLU-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[NH+](C)CCCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC001204263739 1370426020 /nfs/dbraw/zinc/42/60/20/1370426020.db2.gz BGEFNQJLIVUTFH-UHFFFAOYSA-N 3 2 345.531 3.077 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cnn(CC3CCC3)c2)[nH+]1 ZINC001204309031 1370439428 /nfs/dbraw/zinc/43/94/28/1370439428.db2.gz XHEYNWXFUILRNM-LJQANCHMSA-N 2 2 339.487 3.463 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2cnn(CC3CCC3)c2)[nH+]1 ZINC001204309031 1370439431 /nfs/dbraw/zinc/43/94/31/1370439431.db2.gz XHEYNWXFUILRNM-LJQANCHMSA-N 2 2 339.487 3.463 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001115580844 1370583820 /nfs/dbraw/zinc/58/38/20/1370583820.db2.gz QTBRFDPWSSIZHU-HZPDHXFCSA-N 2 2 346.519 3.358 20 0 EGADLP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001115580844 1370583826 /nfs/dbraw/zinc/58/38/26/1370583826.db2.gz QTBRFDPWSSIZHU-HZPDHXFCSA-N 2 2 346.519 3.358 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001115591728 1370592787 /nfs/dbraw/zinc/59/27/87/1370592787.db2.gz BMRDDPJGOGMBES-UHFFFAOYSA-N 2 2 347.503 3.232 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204878164 1370595349 /nfs/dbraw/zinc/59/53/49/1370595349.db2.gz ZIUIMAZZIYDJCJ-KRWDZBQOSA-N 2 2 325.456 3.386 20 0 EGADLP COc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@H]([NH3+])C3)cc2)cc1 ZINC001204878164 1370595357 /nfs/dbraw/zinc/59/53/57/1370595357.db2.gz ZIUIMAZZIYDJCJ-KRWDZBQOSA-N 2 2 325.456 3.386 20 0 EGADLP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001115602448 1370602011 /nfs/dbraw/zinc/60/20/11/1370602011.db2.gz BAUZTPLQHZVLQK-QGZVFWFLSA-N 2 2 346.519 3.044 20 0 EGADLP Brc1ccc2[nH+]cc(Nc3ccn4cc[nH+]c4c3)n2c1 ZINC001204959139 1370615681 /nfs/dbraw/zinc/61/56/81/1370615681.db2.gz GLQVBQVIDWUPEF-UHFFFAOYSA-N 2 2 328.173 3.488 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC001204969187 1370617116 /nfs/dbraw/zinc/61/71/16/1370617116.db2.gz URAGNYCAFYWZJH-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[C@H]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC001204969187 1370617121 /nfs/dbraw/zinc/61/71/21/1370617121.db2.gz URAGNYCAFYWZJH-WMZOPIPTSA-N 2 2 332.488 3.361 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2OC)C1 ZINC001205009439 1370627458 /nfs/dbraw/zinc/62/74/58/1370627458.db2.gz SLDQWRXWFNUNAB-LBPRGKRZSA-N 2 2 332.366 3.025 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2OC)C1 ZINC001205009439 1370627462 /nfs/dbraw/zinc/62/74/62/1370627462.db2.gz SLDQWRXWFNUNAB-LBPRGKRZSA-N 2 2 332.366 3.025 20 0 EGADLP [NH3+]CC1CC[NH+](Cc2cc(Br)cc(Cl)c2F)CC1 ZINC001205040682 1370635757 /nfs/dbraw/zinc/63/57/57/1370635757.db2.gz HKBLQXFAUZZQAW-UHFFFAOYSA-N 2 2 335.648 3.412 20 0 EGADLP CN1CC[NH+](C2(c3ccc(Nc4ccc5[nH+]ccn5c4)cc3)CC2)CC1 ZINC001205096319 1370648498 /nfs/dbraw/zinc/64/84/98/1370648498.db2.gz BUCRVHPVXSRVBK-UHFFFAOYSA-N 2 2 347.466 3.314 20 0 EGADLP C[NH+]1CCN(C2(c3ccc(Nc4ccc5[nH+]ccn5c4)cc3)CC2)CC1 ZINC001205096319 1370648502 /nfs/dbraw/zinc/64/85/02/1370648502.db2.gz BUCRVHPVXSRVBK-UHFFFAOYSA-N 2 2 347.466 3.314 20 0 EGADLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1Br ZINC001205116746 1370654557 /nfs/dbraw/zinc/65/45/57/1370654557.db2.gz HPJUXPYYPCCQHO-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1Br ZINC001205116746 1370654560 /nfs/dbraw/zinc/65/45/60/1370654560.db2.gz HPJUXPYYPCCQHO-CYBMUJFWSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Br ZINC001205281115 1370704515 /nfs/dbraw/zinc/70/45/15/1370704515.db2.gz PUCJSMGEXRDFIV-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)ccc1Br ZINC001205281115 1370704521 /nfs/dbraw/zinc/70/45/21/1370704521.db2.gz PUCJSMGEXRDFIV-OAHLLOKOSA-N 2 2 327.266 3.161 20 0 EGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1O ZINC001205288321 1370708210 /nfs/dbraw/zinc/70/82/10/1370708210.db2.gz IRRZVLDKADUYNS-OAHLLOKOSA-N 2 2 327.266 3.166 20 0 EGADLP Cc1cc(Br)c(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1O ZINC001205288321 1370708213 /nfs/dbraw/zinc/70/82/13/1370708213.db2.gz IRRZVLDKADUYNS-OAHLLOKOSA-N 2 2 327.266 3.166 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205317195 1370719166 /nfs/dbraw/zinc/71/91/66/1370719166.db2.gz NIUQTJZZOYFODJ-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1Br ZINC001205317195 1370719167 /nfs/dbraw/zinc/71/91/67/1370719167.db2.gz NIUQTJZZOYFODJ-JSGCOSHPSA-N 2 2 341.293 3.265 20 0 EGADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001187293987 1388090421 /nfs/dbraw/zinc/09/04/21/1388090421.db2.gz WPOYNPCFXJFJCP-UHFFFAOYSA-N 2 2 334.423 3.245 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCCC2CCCC2)CCCCC1 ZINC001115750529 1370731592 /nfs/dbraw/zinc/73/15/92/1370731592.db2.gz UIKOUCNNWGFVLN-UHFFFAOYSA-N 2 2 346.519 3.331 20 0 EGADLP CCCCC[NH2+]CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001205500247 1370773422 /nfs/dbraw/zinc/77/34/22/1370773422.db2.gz MWILKMKJIFXYNP-LJQANCHMSA-N 2 2 348.535 3.489 20 0 EGADLP c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)ccc2[nH]1 ZINC001205576760 1370797523 /nfs/dbraw/zinc/79/75/23/1370797523.db2.gz DSQXIJSMLAZBMZ-RTBURBONSA-N 2 2 332.451 3.127 20 0 EGADLP CCCC[NH2+]CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001205782620 1370867775 /nfs/dbraw/zinc/86/77/75/1370867775.db2.gz HMISHVGNLYNRNJ-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001205806220 1370877826 /nfs/dbraw/zinc/87/78/26/1370877826.db2.gz ZNQRKOLIGGEGMK-UHFFFAOYSA-N 2 2 346.519 3.072 20 0 EGADLP CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116637124 1370949586 /nfs/dbraw/zinc/94/95/86/1370949586.db2.gz MEHWLZJUWXCALD-MAUKXSAKSA-N 2 2 342.443 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@H]1F ZINC001206164611 1370977695 /nfs/dbraw/zinc/97/76/95/1370977695.db2.gz KXSGOEAJZHPEHP-ZIAGYGMSSA-N 2 2 340.240 3.192 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)CC[C@H]1F ZINC001206164611 1370977701 /nfs/dbraw/zinc/97/77/01/1370977701.db2.gz KXSGOEAJZHPEHP-ZIAGYGMSSA-N 2 2 340.240 3.192 20 0 EGADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206209418 1370993002 /nfs/dbraw/zinc/99/30/02/1370993002.db2.gz FGUDLRGDWRRPAL-HUUCEWRRSA-N 2 2 334.357 3.365 20 0 EGADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc(C(F)(F)F)c1 ZINC001206209418 1370993006 /nfs/dbraw/zinc/99/30/06/1370993006.db2.gz FGUDLRGDWRRPAL-HUUCEWRRSA-N 2 2 334.357 3.365 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001206269949 1371008954 /nfs/dbraw/zinc/00/89/54/1371008954.db2.gz YMXBXEOFTGHKCU-MRXNPFEDSA-N 2 2 328.431 3.446 20 0 EGADLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC001206269949 1371008964 /nfs/dbraw/zinc/00/89/64/1371008964.db2.gz YMXBXEOFTGHKCU-MRXNPFEDSA-N 2 2 328.431 3.446 20 0 EGADLP CCC[N@H+](C)[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157380 1371015648 /nfs/dbraw/zinc/01/56/48/1371015648.db2.gz MCOVROGBMUVGAJ-YOEHRIQHSA-N 2 2 348.878 3.297 20 0 EGADLP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001117157380 1371015651 /nfs/dbraw/zinc/01/56/51/1371015651.db2.gz MCOVROGBMUVGAJ-YOEHRIQHSA-N 2 2 348.878 3.297 20 0 EGADLP C[C@@H](CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001206427211 1371050683 /nfs/dbraw/zinc/05/06/83/1371050683.db2.gz BJEUZOLZPUNHMD-KRWDZBQOSA-N 2 2 346.519 3.243 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001206533300 1371085648 /nfs/dbraw/zinc/08/56/48/1371085648.db2.gz CMRVRSPDLYXFGK-DLBZAZTESA-N 2 2 348.535 3.099 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001206533300 1371085650 /nfs/dbraw/zinc/08/56/50/1371085650.db2.gz CMRVRSPDLYXFGK-DLBZAZTESA-N 2 2 348.535 3.099 20 0 EGADLP COc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1Br ZINC001206565596 1371095844 /nfs/dbraw/zinc/09/58/44/1371095844.db2.gz UTALSGHYOFZYOC-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1Br ZINC001206565596 1371095850 /nfs/dbraw/zinc/09/58/50/1371095850.db2.gz UTALSGHYOFZYOC-INIZCTEOSA-N 2 2 341.293 3.409 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cs2)cc1 ZINC001206806711 1371174533 /nfs/dbraw/zinc/17/45/33/1371174533.db2.gz HFINFMLYHMJLHL-KBPBESRZSA-N 2 2 331.485 3.378 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cs2)cc1 ZINC001206806711 1371174536 /nfs/dbraw/zinc/17/45/36/1371174536.db2.gz HFINFMLYHMJLHL-KBPBESRZSA-N 2 2 331.485 3.378 20 0 EGADLP COc1c(C)c[nH+]c(CN2CC3(C2)C[NH+](Cc2ccccc2)C3)c1C ZINC001207119727 1371298946 /nfs/dbraw/zinc/29/89/46/1371298946.db2.gz OKEDSXBYXRRHLR-UHFFFAOYSA-N 2 2 337.467 3.025 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001207284130 1371350749 /nfs/dbraw/zinc/35/07/49/1371350749.db2.gz JSIYBOVFSGSLIA-UHFFFAOYSA-N 2 2 329.532 3.172 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001207284130 1371350753 /nfs/dbraw/zinc/35/07/53/1371350753.db2.gz JSIYBOVFSGSLIA-UHFFFAOYSA-N 2 2 329.532 3.172 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001207289004 1371351422 /nfs/dbraw/zinc/35/14/22/1371351422.db2.gz XULZCACOKSIBHM-UHFFFAOYSA-N 2 2 348.462 3.213 20 0 EGADLP Clc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207422692 1371389855 /nfs/dbraw/zinc/38/98/55/1371389855.db2.gz VQENQCAQFTWZAS-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207422692 1371389859 /nfs/dbraw/zinc/38/98/59/1371389859.db2.gz VQENQCAQFTWZAS-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207422692 1371389863 /nfs/dbraw/zinc/38/98/63/1371389863.db2.gz VQENQCAQFTWZAS-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP Clc1cccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001207422692 1371389870 /nfs/dbraw/zinc/38/98/70/1371389870.db2.gz VQENQCAQFTWZAS-KDURUIRLSA-N 2 2 341.886 3.341 20 0 EGADLP Fc1cccc(CCC[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001207602669 1371449180 /nfs/dbraw/zinc/44/91/80/1371449180.db2.gz UALALYCNISNXGX-OALUTQOASA-N 2 2 339.458 3.217 20 0 EGADLP CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659732 1371466072 /nfs/dbraw/zinc/46/60/72/1371466072.db2.gz KJCGZUGSJZYMFY-QRVBRYPASA-N 2 2 348.535 3.343 20 0 EGADLP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001207659732 1371466074 /nfs/dbraw/zinc/46/60/74/1371466074.db2.gz KJCGZUGSJZYMFY-QRVBRYPASA-N 2 2 348.535 3.343 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC001207730219 1371487809 /nfs/dbraw/zinc/48/78/09/1371487809.db2.gz UWMJUSZSXDBBQK-GOEBONIOSA-N 2 2 337.895 3.439 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C)cc1Cl ZINC001207730219 1371487812 /nfs/dbraw/zinc/48/78/12/1371487812.db2.gz UWMJUSZSXDBBQK-GOEBONIOSA-N 2 2 337.895 3.439 20 0 EGADLP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365614 1371550354 /nfs/dbraw/zinc/55/03/54/1371550354.db2.gz UKWLQRUBVHQPHK-QZTJIDSGSA-N 2 2 346.519 3.236 20 0 EGADLP CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001120365614 1371550357 /nfs/dbraw/zinc/55/03/57/1371550357.db2.gz UKWLQRUBVHQPHK-QZTJIDSGSA-N 2 2 346.519 3.236 20 0 EGADLP C[NH+](C)CC1(C[N@@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCCC1 ZINC001208187960 1371626927 /nfs/dbraw/zinc/62/69/27/1371626927.db2.gz QWFZUKJGNCRHEV-FQEVSTJZSA-N 2 2 327.516 3.023 20 0 EGADLP C[NH+](C)CC1(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)CCCC1 ZINC001208187960 1371626930 /nfs/dbraw/zinc/62/69/30/1371626930.db2.gz QWFZUKJGNCRHEV-FQEVSTJZSA-N 2 2 327.516 3.023 20 0 EGADLP C[NH+](C)CC1(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)CCCC1 ZINC001208189274 1371630231 /nfs/dbraw/zinc/63/02/31/1371630231.db2.gz TUMLIMTWXNMHRI-QGZVFWFLSA-N 2 2 343.506 3.304 20 0 EGADLP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001208411174 1371757249 /nfs/dbraw/zinc/75/72/49/1371757249.db2.gz OLRIDNZQBUILBW-DVBCCOPCSA-N 2 2 346.519 3.254 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C2)c[nH+]1 ZINC001208411170 1371757518 /nfs/dbraw/zinc/75/75/18/1371757518.db2.gz OLGXFXKVQKEAJV-AEFFLSMTSA-N 2 2 348.535 3.189 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551798 1371813756 /nfs/dbraw/zinc/81/37/56/1371813756.db2.gz OSIJVWYAMITIGJ-IRXDYDNUSA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208551800 1371813837 /nfs/dbraw/zinc/81/38/37/1371813837.db2.gz OSIJVWYAMITIGJ-SJORKVTESA-N 2 2 342.487 3.211 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001208552204 1371814734 /nfs/dbraw/zinc/81/47/34/1371814734.db2.gz WKWNQNQYWNKTMD-MRXNPFEDSA-N 2 2 342.487 3.355 20 0 EGADLP c1ccc(N2CCOC3(CC[NH+](CCC4CCCC4)CC3)C2)[nH+]c1 ZINC001208694325 1371864840 /nfs/dbraw/zinc/86/48/40/1371864840.db2.gz WQWAEUVDLORDIE-UHFFFAOYSA-N 2 2 329.488 3.333 20 0 EGADLP c1nc2c(s1)C[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208940211 1371955117 /nfs/dbraw/zinc/95/51/17/1371955117.db2.gz QHSISPRVCUGGSO-KRWDZBQOSA-N 2 2 327.497 3.413 20 0 EGADLP c1nc2c(s1)C[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208940211 1371955122 /nfs/dbraw/zinc/95/51/22/1371955122.db2.gz QHSISPRVCUGGSO-KRWDZBQOSA-N 2 2 327.497 3.413 20 0 EGADLP c1nc2c(s1)C[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208940211 1371955125 /nfs/dbraw/zinc/95/51/25/1371955125.db2.gz QHSISPRVCUGGSO-KRWDZBQOSA-N 2 2 327.497 3.413 20 0 EGADLP c1nc2c(s1)C[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208940211 1371955128 /nfs/dbraw/zinc/95/51/28/1371955128.db2.gz QHSISPRVCUGGSO-KRWDZBQOSA-N 2 2 327.497 3.413 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209258257 1372053097 /nfs/dbraw/zinc/05/30/97/1372053097.db2.gz ZDAVWUXDDKZUJC-UHFFFAOYSA-N 2 2 335.373 3.172 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCCNC(=O)OC(C)(C)C)C1 ZINC001209368227 1372079459 /nfs/dbraw/zinc/07/94/59/1372079459.db2.gz IJLUQIYYHROOGG-INIZCTEOSA-N 2 2 349.475 3.148 20 0 EGADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCCNC(=O)OC(C)(C)C)C1 ZINC001209368227 1372079463 /nfs/dbraw/zinc/07/94/63/1372079463.db2.gz IJLUQIYYHROOGG-INIZCTEOSA-N 2 2 349.475 3.148 20 0 EGADLP C[C@@H]1CC(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378654 1372082003 /nfs/dbraw/zinc/08/20/03/1372082003.db2.gz DVXOYWHEBOGZKL-JOCBIADPSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1CC(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378654 1372082008 /nfs/dbraw/zinc/08/20/08/1372082008.db2.gz DVXOYWHEBOGZKL-JOCBIADPSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1CC(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378654 1372082013 /nfs/dbraw/zinc/08/20/13/1372082013.db2.gz DVXOYWHEBOGZKL-JOCBIADPSA-N 2 2 349.544 3.243 20 0 EGADLP C[C@@H]1CC(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C[C@@H](C)O1 ZINC001209378654 1372082016 /nfs/dbraw/zinc/08/20/16/1372082016.db2.gz DVXOYWHEBOGZKL-JOCBIADPSA-N 2 2 349.544 3.243 20 0 EGADLP CC/C=C\CC[NH2+]C1CC2(CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001121848925 1372100908 /nfs/dbraw/zinc/10/09/08/1372100908.db2.gz SYELGQCGWMNDRH-OZXNKQPKSA-N 2 2 344.503 3.208 20 0 EGADLP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001209450979 1372108945 /nfs/dbraw/zinc/10/89/45/1372108945.db2.gz XEGVINCJERNFBC-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001209450979 1372108947 /nfs/dbraw/zinc/10/89/47/1372108947.db2.gz XEGVINCJERNFBC-KRWDZBQOSA-N 2 2 339.524 3.194 20 0 EGADLP CCOC(=O)c1c(C)[nH]c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001209614354 1372151548 /nfs/dbraw/zinc/15/15/48/1372151548.db2.gz SYIZXMHHNPUPBH-UHFFFAOYSA-N 2 2 335.492 3.113 20 0 EGADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1C ZINC001209614354 1372151551 /nfs/dbraw/zinc/15/15/51/1372151551.db2.gz SYIZXMHHNPUPBH-UHFFFAOYSA-N 2 2 335.492 3.113 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644385 1372161174 /nfs/dbraw/zinc/16/11/74/1372161174.db2.gz VEZBTYQTEWQUOJ-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644385 1372161178 /nfs/dbraw/zinc/16/11/78/1372161178.db2.gz VEZBTYQTEWQUOJ-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644385 1372161180 /nfs/dbraw/zinc/16/11/80/1372161180.db2.gz VEZBTYQTEWQUOJ-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001209644385 1372161183 /nfs/dbraw/zinc/16/11/83/1372161183.db2.gz VEZBTYQTEWQUOJ-UXHICEINSA-N 2 2 337.467 3.044 20 0 EGADLP CCC/C=C\CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209865771 1372217178 /nfs/dbraw/zinc/21/71/78/1372217178.db2.gz JPWGFOUNBPLBGR-OSFIAYCASA-N 2 2 332.492 3.161 20 0 EGADLP FC(F)(c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1)C1CC[NH2+]CC1 ZINC001211901916 1372631349 /nfs/dbraw/zinc/63/13/49/1372631349.db2.gz QNQQXHCTYDZXMG-UHFFFAOYSA-N 2 2 345.353 3.014 20 0 EGADLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1c[nH+]c(C)cc1C ZINC001213513446 1372917210 /nfs/dbraw/zinc/91/72/10/1372917210.db2.gz KXXQJUGLAAHLGN-UHFFFAOYSA-N 2 2 326.444 3.202 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CC[C@H]3CCC[C@@H](C)C3)ccn12 ZINC001127298780 1373113174 /nfs/dbraw/zinc/11/31/74/1373113174.db2.gz FYJPBRCXEISDIV-NVXWUHKLSA-N 2 2 342.487 3.179 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001214946478 1373146237 /nfs/dbraw/zinc/14/62/37/1373146237.db2.gz ZPILQUZPHSNXJM-IRZMVBRHSA-N 2 2 346.519 3.110 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001215132340 1373175702 /nfs/dbraw/zinc/17/57/02/1373175702.db2.gz BNKOPJCPZABHRX-GVDBMIGSSA-N 2 2 342.487 3.067 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215706200 1373233733 /nfs/dbraw/zinc/23/37/33/1373233733.db2.gz ZACJRKYEWXELIK-AJSYRKLNSA-N 2 2 332.492 3.017 20 0 EGADLP C[NH+](C)Cc1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1F ZINC001216230891 1373286400 /nfs/dbraw/zinc/28/64/00/1373286400.db2.gz HJRUHLNQGWQAAE-UHFFFAOYSA-N 2 2 343.446 3.463 20 0 EGADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001130001082 1373444681 /nfs/dbraw/zinc/44/46/81/1373444681.db2.gz BUNJFJNIELWSHI-SFHVURJKSA-N 2 2 348.535 3.393 20 0 EGADLP CCCOc1ccc(-c2nnc(-c3ccc([C@@H]([NH3+])C[NH3+])cc3)o2)cc1 ZINC001217698405 1373490056 /nfs/dbraw/zinc/49/00/56/1373490056.db2.gz CJIOHJGIVFADSL-KRWDZBQOSA-N 2 2 338.411 3.151 20 0 EGADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2c(Cl)ccc3ncccc32)cc1 ZINC001218906971 1373666275 /nfs/dbraw/zinc/66/62/75/1373666275.db2.gz SGRINSQMGSFFBG-OAHLLOKOSA-N 2 2 340.814 3.099 20 0 EGADLP Cc1nc2cc(Cl)c(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)cc2o1 ZINC001218913346 1373666355 /nfs/dbraw/zinc/66/63/55/1373666355.db2.gz SHAGBWDYCVILHH-CYBMUJFWSA-N 2 2 344.802 3.000 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634773 1373785696 /nfs/dbraw/zinc/78/56/96/1373785696.db2.gz HYLMZQPIRINQKR-GUDVDZBRSA-N 2 2 346.519 3.193 20 0 EGADLP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634773 1373785700 /nfs/dbraw/zinc/78/57/00/1373785700.db2.gz HYLMZQPIRINQKR-GUDVDZBRSA-N 2 2 346.519 3.193 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC001131972572 1375077578 /nfs/dbraw/zinc/07/75/78/1375077578.db2.gz OQOYQGCKWIHZAJ-FQEVSTJZSA-N 2 2 348.450 3.343 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132026046 1375105629 /nfs/dbraw/zinc/10/56/29/1375105629.db2.gz YTQQFQJOWAVCMM-HOTGVXAUSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132026046 1375105632 /nfs/dbraw/zinc/10/56/32/1375105632.db2.gz YTQQFQJOWAVCMM-HOTGVXAUSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[N@H+]1CCCCCF ZINC001132132430 1375163110 /nfs/dbraw/zinc/16/31/10/1375163110.db2.gz QVEKBSQGOHQYOU-ZBFHGGJFSA-N 2 2 346.450 3.285 20 0 EGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132824034 1375584388 /nfs/dbraw/zinc/58/43/88/1375584388.db2.gz PPYNCRWCFBZHDP-MAUKXSAKSA-N 2 2 342.487 3.131 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001132993388 1375700272 /nfs/dbraw/zinc/70/02/72/1375700272.db2.gz RHZBUANUMDMBJJ-GUYCJALGSA-N 2 2 335.467 3.054 20 0 EGADLP C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001133246133 1375867376 /nfs/dbraw/zinc/86/73/76/1375867376.db2.gz QQFXLYAQNQQIPM-JKSUJKDBSA-N 2 2 348.535 3.198 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610943 1376100718 /nfs/dbraw/zinc/10/07/18/1376100718.db2.gz KNDQYZVJOTZIRS-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610943 1376100722 /nfs/dbraw/zinc/10/07/22/1376100722.db2.gz KNDQYZVJOTZIRS-SFHVURJKSA-N 2 2 346.519 3.091 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3cnc(C(F)(F)F)cc3Cl)C2)CC1 ZINC001231903374 1376341786 /nfs/dbraw/zinc/34/17/86/1376341786.db2.gz MFDBZNMCOBTJLU-UHFFFAOYSA-N 2 2 333.785 3.281 20 0 EGADLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3C2)cc1 ZINC001232014243 1376383317 /nfs/dbraw/zinc/38/33/17/1376383317.db2.gz ZXGOMWBMNJYKNH-WOJBJXKFSA-N 3 2 346.478 3.435 20 0 EGADLP Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)c(C)s1 ZINC001134228392 1376424952 /nfs/dbraw/zinc/42/49/52/1376424952.db2.gz ODNOVRMJCPJAJJ-STQMWFEESA-N 2 2 348.516 3.094 20 0 EGADLP Oc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2cccnc12 ZINC001232275682 1376429278 /nfs/dbraw/zinc/42/92/78/1376429278.db2.gz ZBBMPAGCDSBVGS-UHFFFAOYSA-N 2 2 325.456 3.391 20 0 EGADLP Cc1cccc(F)c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001232490160 1376467670 /nfs/dbraw/zinc/46/76/70/1376467670.db2.gz OQBAWLRQCPRVBU-QZTJIDSGSA-N 2 2 325.431 3.093 20 0 EGADLP Nc1ccc(F)cc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511805 1376472615 /nfs/dbraw/zinc/47/26/15/1376472615.db2.gz RZBVGMAQLGZHGW-HKUYNNGSSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511805 1376472619 /nfs/dbraw/zinc/47/26/19/1376472619.db2.gz RZBVGMAQLGZHGW-HKUYNNGSSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511805 1376472621 /nfs/dbraw/zinc/47/26/21/1376472621.db2.gz RZBVGMAQLGZHGW-HKUYNNGSSA-N 2 2 339.458 3.362 20 0 EGADLP Nc1ccc(F)cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001232511805 1376472624 /nfs/dbraw/zinc/47/26/24/1376472624.db2.gz RZBVGMAQLGZHGW-HKUYNNGSSA-N 2 2 339.458 3.362 20 0 EGADLP CC(C)(O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001232829179 1376520338 /nfs/dbraw/zinc/52/03/38/1376520338.db2.gz JWRKKKFFWVFKGW-SFHVURJKSA-N 2 2 331.504 3.149 20 0 EGADLP CC(C)(O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001232829179 1376520343 /nfs/dbraw/zinc/52/03/43/1376520343.db2.gz JWRKKKFFWVFKGW-SFHVURJKSA-N 2 2 331.504 3.149 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544985 1376584525 /nfs/dbraw/zinc/58/45/25/1376584525.db2.gz KONWHUCJPVODDR-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP Cc1cccc(C)c1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544985 1376584527 /nfs/dbraw/zinc/58/45/27/1376584527.db2.gz KONWHUCJPVODDR-IRXDYDNUSA-N 2 2 342.487 3.032 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001134970587 1376819168 /nfs/dbraw/zinc/81/91/68/1376819168.db2.gz RAQYPZWSUYWFSM-GJZGRUSLSA-N 2 2 342.487 3.257 20 0 EGADLP Clc1cc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235035184 1376833627 /nfs/dbraw/zinc/83/36/27/1376833627.db2.gz CQCYKTZSKJGSBL-MEBBXXQBSA-N 2 2 349.689 3.457 20 0 EGADLP Clc1cc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235035184 1376833631 /nfs/dbraw/zinc/83/36/31/1376833631.db2.gz CQCYKTZSKJGSBL-MEBBXXQBSA-N 2 2 349.689 3.457 20 0 EGADLP Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCOC(C)C)c(C)[nH+]1 ZINC001135043118 1376865193 /nfs/dbraw/zinc/86/51/93/1376865193.db2.gz HCURLZAMMRSBBW-RDJZCZTQSA-N 2 2 349.519 3.308 20 0 EGADLP CC[NH2+]C1CC[NH+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001235727596 1376886498 /nfs/dbraw/zinc/88/64/98/1376886498.db2.gz ZOTYMTHNGPPSTP-UHFFFAOYSA-N 2 2 334.357 3.497 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098409 1376896537 /nfs/dbraw/zinc/89/65/37/1376896537.db2.gz XJMGRUIGWXYODF-HZPDHXFCSA-N 2 2 340.471 3.159 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001135098408 1376897708 /nfs/dbraw/zinc/89/77/08/1376897708.db2.gz XJMGRUIGWXYODF-HOTGVXAUSA-N 2 2 340.471 3.159 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235943852 1376920314 /nfs/dbraw/zinc/92/03/14/1376920314.db2.gz ZIGTYEMBECAEJN-CMPLNLGQSA-N 2 2 334.769 3.280 20 0 EGADLP FC(F)(F)Oc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235943852 1376920321 /nfs/dbraw/zinc/92/03/21/1376920321.db2.gz ZIGTYEMBECAEJN-CMPLNLGQSA-N 2 2 334.769 3.280 20 0 EGADLP C[C@H](C[C@H](C)[NH2+]CCCC1CCCC1)NC(=O)CCn1cc[nH+]c1 ZINC001135136653 1376926580 /nfs/dbraw/zinc/92/65/80/1376926580.db2.gz JGFWSUSIGLKXCZ-DLBZAZTESA-N 2 2 334.508 3.117 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050296 1376928558 /nfs/dbraw/zinc/92/85/58/1376928558.db2.gz HKTVWGZEISEWCR-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc3ncc(Br)cc3c2)C1 ZINC001236050296 1376928562 /nfs/dbraw/zinc/92/85/62/1376928562.db2.gz HKTVWGZEISEWCR-ABAIWWIYSA-N 2 2 334.261 3.166 20 0 EGADLP Fc1c(Cl)cc(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC001236129661 1376934602 /nfs/dbraw/zinc/93/46/02/1376934602.db2.gz XKGBSOCXRMUWHH-UHFFFAOYSA-N 2 2 346.277 3.002 20 0 EGADLP C[N@H+](Cc1ccc(-c2ccc(Cl)nn2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207646 1376941537 /nfs/dbraw/zinc/94/15/37/1376941537.db2.gz OZEPUIRWDIEAFC-SFHVURJKSA-N 2 2 330.863 3.371 20 0 EGADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)nn2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236207646 1376941542 /nfs/dbraw/zinc/94/15/42/1376941542.db2.gz OZEPUIRWDIEAFC-SFHVURJKSA-N 2 2 330.863 3.371 20 0 EGADLP Fc1ccc(C[N@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389149 1376951699 /nfs/dbraw/zinc/95/16/99/1376951699.db2.gz SWJWZIWCRHWODY-HXUWFJFHSA-N 3 2 345.506 3.160 20 0 EGADLP Fc1ccc(C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236389149 1376951702 /nfs/dbraw/zinc/95/17/02/1376951702.db2.gz SWJWZIWCRHWODY-HXUWFJFHSA-N 3 2 345.506 3.160 20 0 EGADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001258639571 1377118516 /nfs/dbraw/zinc/11/85/16/1377118516.db2.gz KZOWJTXEYRAWAA-IBGZPJMESA-N 2 2 343.515 3.001 20 0 EGADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001258639571 1377118519 /nfs/dbraw/zinc/11/85/19/1377118519.db2.gz KZOWJTXEYRAWAA-IBGZPJMESA-N 2 2 343.515 3.001 20 0 EGADLP CCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001135678774 1377181388 /nfs/dbraw/zinc/18/13/88/1377181388.db2.gz IIDOHVPZBBKHTG-IRXDYDNUSA-N 2 2 344.503 3.248 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001136031785 1377305950 /nfs/dbraw/zinc/30/59/50/1377305950.db2.gz PWWOURHDOPWCOC-LSDHHAIUSA-N 2 2 334.508 3.104 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CCC1=CCCCC1)NC(=O)CCc1c[nH+]cn1C ZINC001136053628 1377315244 /nfs/dbraw/zinc/31/52/44/1377315244.db2.gz CPMHQROOODZYFZ-IAGOWNOFSA-N 2 2 346.519 3.116 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001189261257 1388499444 /nfs/dbraw/zinc/49/94/44/1388499444.db2.gz MTLAPANZPDKUHS-OKZBNKHCSA-N 2 2 346.519 3.193 20 0 EGADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)n1cc[nH+]c1 ZINC001189261257 1388499449 /nfs/dbraw/zinc/49/94/49/1388499449.db2.gz MTLAPANZPDKUHS-OKZBNKHCSA-N 2 2 346.519 3.193 20 0 EGADLP c1cc(C[NH+]2CCC3(CCn4c(-c5ccccc5)c[nH+]c43)CC2)n[nH]1 ZINC001137127680 1377482951 /nfs/dbraw/zinc/48/29/51/1377482951.db2.gz JBSXUYBENMHMSW-UHFFFAOYSA-N 2 2 333.439 3.211 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(F)c(Br)c1 ZINC001137559314 1377565384 /nfs/dbraw/zinc/56/53/84/1377565384.db2.gz LYCZIMOMRWOKAI-UHFFFAOYSA-N 2 2 326.213 3.307 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138246635 1377693632 /nfs/dbraw/zinc/69/36/32/1377693632.db2.gz QPXOBFZSPOQNLC-CQSZACIVSA-N 2 2 346.814 3.425 20 0 EGADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138246635 1377693635 /nfs/dbraw/zinc/69/36/35/1377693635.db2.gz QPXOBFZSPOQNLC-CQSZACIVSA-N 2 2 346.814 3.425 20 0 EGADLP CCCn1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001138639686 1377760253 /nfs/dbraw/zinc/76/02/53/1377760253.db2.gz STXHRCFZNZVMKX-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP CCCn1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001138639686 1377760254 /nfs/dbraw/zinc/76/02/54/1377760254.db2.gz STXHRCFZNZVMKX-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001138639686 1377760255 /nfs/dbraw/zinc/76/02/55/1377760255.db2.gz STXHRCFZNZVMKX-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP CCCn1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC001138639686 1377760256 /nfs/dbraw/zinc/76/02/56/1377760256.db2.gz STXHRCFZNZVMKX-OYRHEFFESA-N 2 2 338.499 3.165 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3ccc4cccnc4c3)CC2)CC1 ZINC001139173573 1377843636 /nfs/dbraw/zinc/84/36/36/1377843636.db2.gz YYLDSHLGHXLPQS-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[NH+]1CCC2(C[NH+](Cc3[nH]c(-c4ccccc4)nc3Cl)C2)CC1 ZINC001139284106 1377861883 /nfs/dbraw/zinc/86/18/83/1377861883.db2.gz FBJFTOJDEAQYQC-UHFFFAOYSA-N 2 2 330.863 3.258 20 0 EGADLP C[NH+](C)CCC[N@H+](C)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139363297 1377874539 /nfs/dbraw/zinc/87/45/39/1377874539.db2.gz AQERZEPUDRXVIS-UHFFFAOYSA-N 2 2 326.897 3.030 20 0 EGADLP C[NH+](C)CCC[N@@H+](C)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139363297 1377874540 /nfs/dbraw/zinc/87/45/40/1377874540.db2.gz AQERZEPUDRXVIS-UHFFFAOYSA-N 2 2 326.897 3.030 20 0 EGADLP Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363529 1377874783 /nfs/dbraw/zinc/87/47/83/1377874783.db2.gz GCTQPTJHOMFWSK-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP Cc1nccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363529 1377874784 /nfs/dbraw/zinc/87/47/84/1377874784.db2.gz GCTQPTJHOMFWSK-LJQANCHMSA-N 2 2 349.438 3.014 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001139464240 1377888716 /nfs/dbraw/zinc/88/87/16/1377888716.db2.gz OKYNTBAPVXWPJZ-UHFFFAOYSA-N 2 2 343.471 3.262 20 0 EGADLP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001139464240 1377888722 /nfs/dbraw/zinc/88/87/22/1377888722.db2.gz OKYNTBAPVXWPJZ-UHFFFAOYSA-N 2 2 343.471 3.262 20 0 EGADLP C[N@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C1CC[NH+](C)CC1 ZINC001139535016 1377900153 /nfs/dbraw/zinc/90/01/53/1377900153.db2.gz GWQANMCSEDRHAS-UHFFFAOYSA-N 2 2 326.366 3.108 20 0 EGADLP C[N@@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C1CC[NH+](C)CC1 ZINC001139535016 1377900155 /nfs/dbraw/zinc/90/01/55/1377900155.db2.gz GWQANMCSEDRHAS-UHFFFAOYSA-N 2 2 326.366 3.108 20 0 EGADLP C[N@H+](Cc1ccccc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759213 1377947000 /nfs/dbraw/zinc/94/70/00/1377947000.db2.gz CLHQBHBAKDGJFQ-UHFFFAOYSA-N 2 2 340.467 3.030 20 0 EGADLP C[N@@H+](Cc1ccccc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139759213 1377947005 /nfs/dbraw/zinc/94/70/05/1377947005.db2.gz CLHQBHBAKDGJFQ-UHFFFAOYSA-N 2 2 340.467 3.030 20 0 EGADLP COc1ccc(-c2ncc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)s2)cc1 ZINC001139794476 1377951194 /nfs/dbraw/zinc/95/11/94/1377951194.db2.gz FQBIAHYFMQYLFQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2ncc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)s2)cc1 ZINC001139794476 1377951195 /nfs/dbraw/zinc/95/11/95/1377951195.db2.gz FQBIAHYFMQYLFQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2ncc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)s2)cc1 ZINC001139794476 1377951196 /nfs/dbraw/zinc/95/11/96/1377951196.db2.gz FQBIAHYFMQYLFQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP COc1ccc(-c2ncc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)s2)cc1 ZINC001139794476 1377951197 /nfs/dbraw/zinc/95/11/97/1377951197.db2.gz FQBIAHYFMQYLFQ-IBGZPJMESA-N 2 2 343.496 3.346 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)Cc1cnc2ccccn12 ZINC001140021921 1377991272 /nfs/dbraw/zinc/99/12/72/1377991272.db2.gz UGSUDVXVSZWFNR-UHFFFAOYSA-N 2 2 331.423 3.460 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1cnc2ccccn12 ZINC001140021921 1377991273 /nfs/dbraw/zinc/99/12/73/1377991273.db2.gz UGSUDVXVSZWFNR-UHFFFAOYSA-N 2 2 331.423 3.460 20 0 EGADLP Oc1cccc2[nH]cc(C[NH+]3CCC([NH+]4CCC(F)CC4)CC3)c21 ZINC001140235877 1378035264 /nfs/dbraw/zinc/03/52/64/1378035264.db2.gz RGXOPUDIMHXQPH-UHFFFAOYSA-N 2 2 331.435 3.272 20 0 EGADLP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140777789 1378134235 /nfs/dbraw/zinc/13/42/35/1378134235.db2.gz FWOJZHFRERAQIY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140777789 1378134236 /nfs/dbraw/zinc/13/42/36/1378134236.db2.gz FWOJZHFRERAQIY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140777789 1378134237 /nfs/dbraw/zinc/13/42/37/1378134237.db2.gz FWOJZHFRERAQIY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140777789 1378134238 /nfs/dbraw/zinc/13/42/38/1378134238.db2.gz FWOJZHFRERAQIY-HDICACEKSA-N 2 2 325.431 3.093 20 0 EGADLP O=C(C1CCCCC1)N1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805870 1378144554 /nfs/dbraw/zinc/14/45/54/1378144554.db2.gz OYMKCIAHXPAQHF-UHFFFAOYSA-N 2 2 340.471 3.178 20 0 EGADLP O=C(C1CCCCC1)N1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140805870 1378144558 /nfs/dbraw/zinc/14/45/58/1378144558.db2.gz OYMKCIAHXPAQHF-UHFFFAOYSA-N 2 2 340.471 3.178 20 0 EGADLP CS[C@@H](C)CC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470157 1378174980 /nfs/dbraw/zinc/17/49/80/1378174980.db2.gz JYDOLZJKFXTBJV-WMZOPIPTSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@@H](C)CC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001276470157 1378174986 /nfs/dbraw/zinc/17/49/86/1378174986.db2.gz JYDOLZJKFXTBJV-WMZOPIPTSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001276470157 1378174992 /nfs/dbraw/zinc/17/49/92/1378174992.db2.gz JYDOLZJKFXTBJV-WMZOPIPTSA-N 2 2 326.550 3.237 20 0 EGADLP CS[C@@H](C)CC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001276470157 1378174995 /nfs/dbraw/zinc/17/49/95/1378174995.db2.gz JYDOLZJKFXTBJV-WMZOPIPTSA-N 2 2 326.550 3.237 20 0 EGADLP Fc1ccc(Cl)nc1C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001276577990 1378180335 /nfs/dbraw/zinc/18/03/35/1378180335.db2.gz HDMDTBHQSQSICR-UHFFFAOYSA-N 2 2 348.853 3.300 20 0 EGADLP Cc1nccnc1C[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001140937637 1378184626 /nfs/dbraw/zinc/18/46/26/1378184626.db2.gz RHJMRKZCWXPZCJ-UHFFFAOYSA-N 2 2 345.406 3.292 20 0 EGADLP Cc1ccccc1C[NH2+]C12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2 ZINC001279989021 1378326314 /nfs/dbraw/zinc/32/63/14/1378326314.db2.gz WZFSPCPOZWPFFF-UHFFFAOYSA-N 2 2 346.434 3.294 20 0 EGADLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3OC)C[C@H]2C1 ZINC001141611589 1378350428 /nfs/dbraw/zinc/35/04/28/1378350428.db2.gz DMEVDPDZXUIYFD-HUUCEWRRSA-N 2 2 342.405 3.488 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5c4OCO5)C[C@@H]3C2)c1 ZINC001141950213 1378397578 /nfs/dbraw/zinc/39/75/78/1378397578.db2.gz NGUBOXXQLRVEOM-HZPDHXFCSA-N 2 2 342.464 3.041 20 0 EGADLP Fc1cc2cc(C[N@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc2cc1F ZINC001142044443 1378408134 /nfs/dbraw/zinc/40/81/34/1378408134.db2.gz GEZMOLFGURSNPR-UHFFFAOYSA-N 2 2 348.784 3.421 20 0 EGADLP Fc1cc2cc(C[N@@H+]3CCc4[nH+]ccn4CC3)c(Cl)nc2cc1F ZINC001142044443 1378408135 /nfs/dbraw/zinc/40/81/35/1378408135.db2.gz GEZMOLFGURSNPR-UHFFFAOYSA-N 2 2 348.784 3.421 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978377 1378521322 /nfs/dbraw/zinc/52/13/22/1378521322.db2.gz PVERCMRPKXHJKO-LJQANCHMSA-N 2 2 342.874 3.325 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978377 1378521326 /nfs/dbraw/zinc/52/13/26/1378521326.db2.gz PVERCMRPKXHJKO-LJQANCHMSA-N 2 2 342.874 3.325 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978377 1378521330 /nfs/dbraw/zinc/52/13/30/1378521330.db2.gz PVERCMRPKXHJKO-LJQANCHMSA-N 2 2 342.874 3.325 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3nccnc3-c3ccc(Cl)cc3)C2)C1 ZINC001142978377 1378521335 /nfs/dbraw/zinc/52/13/35/1378521335.db2.gz PVERCMRPKXHJKO-LJQANCHMSA-N 2 2 342.874 3.325 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cc5cccnc5[nH]4)C[C@H]3C2)c1 ZINC001143213864 1378562313 /nfs/dbraw/zinc/56/23/13/1378562313.db2.gz CILMRLLNWOBKSY-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cc5cccnc5[nH]4)C[C@H]3C2)c1 ZINC001143213864 1378562316 /nfs/dbraw/zinc/56/23/16/1378562316.db2.gz CILMRLLNWOBKSY-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@H]3C2)c1 ZINC001143213864 1378562318 /nfs/dbraw/zinc/56/23/18/1378562318.db2.gz CILMRLLNWOBKSY-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cc5cccnc5[nH]4)C[C@H]3C2)c1 ZINC001143213864 1378562321 /nfs/dbraw/zinc/56/23/21/1378562321.db2.gz CILMRLLNWOBKSY-IYBDPMFKSA-N 2 2 338.480 3.188 20 0 EGADLP O=C(c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550775 1388558602 /nfs/dbraw/zinc/55/86/02/1388558602.db2.gz KBDKNLRXJKMGJS-WOJBJXKFSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)N1CCCC1 ZINC001327550775 1388558605 /nfs/dbraw/zinc/55/86/05/1388558605.db2.gz KBDKNLRXJKMGJS-WOJBJXKFSA-N 2 2 341.499 3.029 20 0 EGADLP FC(F)(F)Oc1ccc(Cl)cc1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001143704746 1378637469 /nfs/dbraw/zinc/63/74/69/1378637469.db2.gz SOJWOASTWWOSDV-UHFFFAOYSA-N 2 2 345.752 3.493 20 0 EGADLP FC(F)(F)Oc1ccc(Cl)cc1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001143704746 1378637470 /nfs/dbraw/zinc/63/74/70/1378637470.db2.gz SOJWOASTWWOSDV-UHFFFAOYSA-N 2 2 345.752 3.493 20 0 EGADLP COc1ncc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC001144473569 1378736219 /nfs/dbraw/zinc/73/62/19/1378736219.db2.gz ZSOQWFMETUIWFY-UHFFFAOYSA-N 2 2 335.467 3.458 20 0 EGADLP COc1ncc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC001144473569 1378736222 /nfs/dbraw/zinc/73/62/22/1378736222.db2.gz ZSOQWFMETUIWFY-UHFFFAOYSA-N 2 2 335.467 3.458 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC001146474090 1378846361 /nfs/dbraw/zinc/84/63/61/1378846361.db2.gz RBSFXUGWMALGBD-QGZVFWFLSA-N 2 2 348.450 3.261 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CC1CCCCC1 ZINC001146713176 1378906177 /nfs/dbraw/zinc/90/61/77/1378906177.db2.gz HODMGNFUXQNIAI-SJORKVTESA-N 2 2 334.508 3.117 20 0 EGADLP CC(C)c1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001146754323 1378913372 /nfs/dbraw/zinc/91/33/72/1378913372.db2.gz DOSGYJANHRBTIB-IAGOWNOFSA-N 2 2 342.487 3.080 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CC1CCCCC1 ZINC001284148336 1379542758 /nfs/dbraw/zinc/54/27/58/1379542758.db2.gz JFNGIWWOVPAADU-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CC1CCCCC1 ZINC001284148336 1379542762 /nfs/dbraw/zinc/54/27/62/1379542762.db2.gz JFNGIWWOVPAADU-IEBWSBKVSA-N 2 2 346.519 3.213 20 0 EGADLP C[NH+]1CCC(N(C(=O)c2cc3c[nH+]ccc3[nH]2)C2CCCC2)CC1 ZINC001151972429 1379828300 /nfs/dbraw/zinc/82/83/00/1379828300.db2.gz XTXXUBCAHPKUEB-UHFFFAOYSA-N 2 2 326.444 3.042 20 0 EGADLP CCc1ccc(-c2ccc(-n3c[nH+]cc3C3CC[NH2+]CC3)nn2)cc1 ZINC001155063918 1380401687 /nfs/dbraw/zinc/40/16/87/1380401687.db2.gz JZDGHMUPRPMURC-UHFFFAOYSA-N 2 2 333.439 3.359 20 0 EGADLP Cc1cccc2c(C)cc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)[nH+]c12 ZINC001155591332 1380470917 /nfs/dbraw/zinc/47/09/17/1380470917.db2.gz HNUFPXRZAPLARK-UZLBHIALSA-N 2 2 325.456 3.422 20 0 EGADLP Cc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc(C2CCCCC2)[nH+]1 ZINC001155626660 1380475399 /nfs/dbraw/zinc/47/53/99/1380475399.db2.gz VYJVKGIGWSXFQQ-QFBILLFUSA-N 2 2 330.476 3.156 20 0 EGADLP Cc1c(C)n(-c2cc(N3CCCCC3)[nH+]cn2)c2ccc(C[NH3+])cc12 ZINC001155907492 1380504615 /nfs/dbraw/zinc/50/46/15/1380504615.db2.gz XHUGIJORZSBBBS-UHFFFAOYSA-N 2 2 335.455 3.486 20 0 EGADLP Cc1cc(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)nc(C2CC2)[nH+]1 ZINC001158167440 1381147345 /nfs/dbraw/zinc/14/73/45/1381147345.db2.gz OJMRPQQPARIMIA-IYARVYRRSA-N 2 2 337.471 3.334 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158276695 1381181694 /nfs/dbraw/zinc/18/16/94/1381181694.db2.gz AQBVJBMHXYXLDD-OOFWQKGWSA-N 2 2 346.519 3.022 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158276695 1381181699 /nfs/dbraw/zinc/18/16/99/1381181699.db2.gz AQBVJBMHXYXLDD-OOFWQKGWSA-N 2 2 346.519 3.022 20 0 EGADLP CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158276716 1381182384 /nfs/dbraw/zinc/18/23/84/1381182384.db2.gz BRRQQZVAVUCYAY-GOSISDBHSA-N 2 2 348.535 3.246 20 0 EGADLP CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001158276716 1381182386 /nfs/dbraw/zinc/18/23/86/1381182386.db2.gz BRRQQZVAVUCYAY-GOSISDBHSA-N 2 2 348.535 3.246 20 0 EGADLP Nc1cccc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)[nH+]1 ZINC001158669512 1381345214 /nfs/dbraw/zinc/34/52/14/1381345214.db2.gz VFKKCPQVRMDCKE-UHFFFAOYSA-N 2 2 336.317 3.008 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)(C)C ZINC001158807219 1381408138 /nfs/dbraw/zinc/40/81/38/1381408138.db2.gz ZTWUCJCCOAMHNC-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001158807219 1381408144 /nfs/dbraw/zinc/40/81/44/1381408144.db2.gz ZTWUCJCCOAMHNC-GOSISDBHSA-N 2 2 348.535 3.102 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(-n2cccn2)cc1 ZINC001328323069 1388722400 /nfs/dbraw/zinc/72/24/00/1388722400.db2.gz QXDRPLVKPLGFJG-UHFFFAOYSA-N 2 2 344.378 3.014 20 0 EGADLP CCC(CC)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949642 1381481055 /nfs/dbraw/zinc/48/10/55/1381481055.db2.gz SUORIUQAXJNVMD-LJQANCHMSA-N 2 2 348.535 3.412 20 0 EGADLP CCC(CC)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001158949642 1381481065 /nfs/dbraw/zinc/48/10/65/1381481065.db2.gz SUORIUQAXJNVMD-LJQANCHMSA-N 2 2 348.535 3.412 20 0 EGADLP Cc1csc([C@H](C)C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)n1 ZINC001328330240 1388724340 /nfs/dbraw/zinc/72/43/40/1388724340.db2.gz SMLMPZVLRGVAOW-LLVKDONJSA-N 2 2 327.413 3.083 20 0 EGADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc(C3([NH3+])CCC3)no2)c1 ZINC001328379113 1388733973 /nfs/dbraw/zinc/73/39/73/1388733973.db2.gz MTOSMMVSAQBUQE-MRXNPFEDSA-N 2 2 326.444 3.443 20 0 EGADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(C3([NH3+])CCC3)no2)c1 ZINC001328379113 1388733976 /nfs/dbraw/zinc/73/39/76/1388733976.db2.gz MTOSMMVSAQBUQE-MRXNPFEDSA-N 2 2 326.444 3.443 20 0 EGADLP [NH3+][C@@H]1CCN(c2ncccc2Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC001159330838 1381765177 /nfs/dbraw/zinc/76/51/77/1381765177.db2.gz WETNLLXTZBZTJB-MRXNPFEDSA-N 2 2 337.471 3.353 20 0 EGADLP CCOC(=O)CCCc1[nH+]c2cc(NC3=C[NH2+]CCC3)ccc2n1C ZINC001159660438 1381862141 /nfs/dbraw/zinc/86/21/41/1381862141.db2.gz KIOLRRKDIDDXDQ-UHFFFAOYSA-N 2 2 342.443 3.096 20 0 EGADLP c1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc(C2CC[NH2+]CC2)c1 ZINC001159757790 1381891101 /nfs/dbraw/zinc/89/11/01/1381891101.db2.gz QPZMCPCLWUZVRA-UHFFFAOYSA-N 2 2 338.455 3.129 20 0 EGADLP c1ccc(N2CC[NH2+]CC2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001159813068 1381908621 /nfs/dbraw/zinc/90/86/21/1381908621.db2.gz QICAWQVZEPVNEK-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP Clc1cc(Nc2cccc3[nH+]c[nH]c32)ccc1N1CC[NH2+]CC1 ZINC001159862488 1381924095 /nfs/dbraw/zinc/92/40/95/1381924095.db2.gz SXXMVUWWUSTXCJ-UHFFFAOYSA-N 2 2 327.819 3.370 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C)n1cc[nH+]c1 ZINC001160528599 1382131895 /nfs/dbraw/zinc/13/18/95/1382131895.db2.gz RNSCTSCBIGQUKG-ZWKOTPCHSA-N 2 2 336.524 3.248 20 0 EGADLP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)ccc1-n1cc[nH+]c1 ZINC001160733935 1382181333 /nfs/dbraw/zinc/18/13/33/1382181333.db2.gz ZKWMMOVWGBNTIN-UHFFFAOYSA-N 2 2 334.423 3.495 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160983917 1382261389 /nfs/dbraw/zinc/26/13/89/1382261389.db2.gz CXEPACBMFCCZRM-UHFFFAOYSA-N 2 2 336.439 3.089 20 0 EGADLP Cc1cc(C)cc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001160984048 1382261511 /nfs/dbraw/zinc/26/15/11/1382261511.db2.gz DSDXTLFDTUMDJP-UHFFFAOYSA-N 2 2 336.439 3.089 20 0 EGADLP O=C(NCCC[NH2+]Cc1sccc1Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001160984234 1382261576 /nfs/dbraw/zinc/26/15/76/1382261576.db2.gz IJUXZOBEAKXZFH-UHFFFAOYSA-N 2 2 348.859 3.188 20 0 EGADLP Cc1ccc(C[NH2+]CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001160992955 1382266116 /nfs/dbraw/zinc/26/61/16/1382266116.db2.gz VSKVMCOLKGRDPS-UHFFFAOYSA-N 2 2 336.439 3.089 20 0 EGADLP CCC(CC)[NH+]1CCC(Nc2nc(N3CCCC3)c(C)c[nH+]2)CC1 ZINC001161094767 1382294808 /nfs/dbraw/zinc/29/48/08/1382294808.db2.gz KIYMTLNAHVMPGH-UHFFFAOYSA-N 2 2 331.508 3.450 20 0 EGADLP C[C@@H](CC(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001161356558 1382381523 /nfs/dbraw/zinc/38/15/23/1382381523.db2.gz UYRORPHSANZIIF-HFCFLWKCSA-N 2 2 344.503 3.019 20 0 EGADLP C[C@@H](CC(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1)n1cc[nH+]c1 ZINC001161356558 1382381526 /nfs/dbraw/zinc/38/15/26/1382381526.db2.gz UYRORPHSANZIIF-HFCFLWKCSA-N 2 2 344.503 3.019 20 0 EGADLP COc1ccc(Cn2c[nH+]cc2CNc2[nH+]ccc3[nH]ccc32)cc1 ZINC001161504902 1382425414 /nfs/dbraw/zinc/42/54/14/1382425414.db2.gz ICZNQILKPFEXLY-UHFFFAOYSA-N 2 2 333.395 3.428 20 0 EGADLP O=C(NCCC[NH2+][C@@H]1CCCc2ccccc21)c1cccc2[nH+]ccn21 ZINC001162432808 1382757286 /nfs/dbraw/zinc/75/72/86/1382757286.db2.gz KKNDFNDBLYTQGH-GOSISDBHSA-N 2 2 348.450 3.121 20 0 EGADLP C[NH+]1CCN(c2cccc(NC[C@@H]3CCCc4ccccc43)[nH+]2)CC1 ZINC001162554614 1382787765 /nfs/dbraw/zinc/78/77/65/1382787765.db2.gz HERLXSVZYBLGNH-SFHVURJKSA-N 2 2 336.483 3.365 20 0 EGADLP CC(C)(C)OC(=O)Nc1cc(N2C[C@@H]([NH3+])Cc3ccccc32)cc[nH+]1 ZINC001162850656 1382894703 /nfs/dbraw/zinc/89/47/03/1382894703.db2.gz SBSKDRFXXHXGBN-AWEZNQCLSA-N 2 2 340.427 3.450 20 0 EGADLP Cc1cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c[nH+]c1N1CCOCC1 ZINC001162907963 1382912356 /nfs/dbraw/zinc/91/23/56/1382912356.db2.gz AYVQRLUNKDUPKN-OAHLLOKOSA-N 2 2 336.439 3.190 20 0 EGADLP Cc1ccc(F)c(C[NH2+]CCCNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC001162910497 1382913331 /nfs/dbraw/zinc/91/33/31/1382913331.db2.gz NJHJEFSMRSNMLR-UHFFFAOYSA-N 2 2 343.446 3.364 20 0 EGADLP Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2cc(F)cc(F)c2)c(C)[nH+]1 ZINC001162910636 1382913480 /nfs/dbraw/zinc/91/34/80/1382913480.db2.gz SVDDSJKPVFEKQT-UHFFFAOYSA-N 2 2 347.409 3.195 20 0 EGADLP COc1ccc2c(C)cc(Nc3ccc([C@H](C[NH3+])CO)cc3)[nH+]c2c1 ZINC001163053468 1382956003 /nfs/dbraw/zinc/95/60/03/1382956003.db2.gz ROQOHXOIJNHFNK-OAHLLOKOSA-N 2 2 337.423 3.330 20 0 EGADLP CC(C)c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001163278574 1383012121 /nfs/dbraw/zinc/01/21/21/1383012121.db2.gz JTYXBFDASBWJFV-BEFAXECRSA-N 2 2 332.492 3.294 20 0 EGADLP CC(C)(C)CCC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163473845 1383059404 /nfs/dbraw/zinc/05/94/04/1383059404.db2.gz XEAZQGRNLYJSQO-UHFFFAOYSA-N 2 2 342.487 3.408 20 0 EGADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(N)=[NH2+])c2cc(C)[nH]n2)nc1 ZINC001163514339 1383070516 /nfs/dbraw/zinc/07/05/16/1383070516.db2.gz UBFPQQSDELZIOZ-HNNXBMFYSA-N 2 2 341.463 3.082 20 0 EGADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(N)=[NH2+])c2cc(C)[nH]n2)nc1 ZINC001163514339 1383070532 /nfs/dbraw/zinc/07/05/32/1383070532.db2.gz UBFPQQSDELZIOZ-HNNXBMFYSA-N 2 2 341.463 3.082 20 0 EGADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(N)=[NH2+])c2cc(C)[nH]n2)nc1 ZINC001163514340 1383070642 /nfs/dbraw/zinc/07/06/42/1383070642.db2.gz UBFPQQSDELZIOZ-OAHLLOKOSA-N 2 2 341.463 3.082 20 0 EGADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(N)=[NH2+])c2cc(C)[nH]n2)nc1 ZINC001163514340 1383070649 /nfs/dbraw/zinc/07/06/49/1383070649.db2.gz UBFPQQSDELZIOZ-OAHLLOKOSA-N 2 2 341.463 3.082 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]CCCNC(=O)CCn2cc[nH+]c2)cc1 ZINC001163594334 1383084768 /nfs/dbraw/zinc/08/47/68/1383084768.db2.gz WULQZORLPMNGDQ-QGZVFWFLSA-N 2 2 342.487 3.254 20 0 EGADLP Cn1c(CNc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc2ccccc21 ZINC001163949906 1383138785 /nfs/dbraw/zinc/13/87/85/1383138785.db2.gz BNIVETGLFCIRTR-GOSISDBHSA-N 2 2 334.467 3.323 20 0 EGADLP Cn1c(CNc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc2ccccc21 ZINC001163949906 1383138788 /nfs/dbraw/zinc/13/87/88/1383138788.db2.gz BNIVETGLFCIRTR-GOSISDBHSA-N 2 2 334.467 3.323 20 0 EGADLP Cc1ccccc1OCCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163975403 1383142245 /nfs/dbraw/zinc/14/22/45/1383142245.db2.gz ULHGQUUVUDGABG-LJQANCHMSA-N 2 2 339.483 3.409 20 0 EGADLP Cc1ccccc1OCCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163975403 1383142246 /nfs/dbraw/zinc/14/22/46/1383142246.db2.gz ULHGQUUVUDGABG-LJQANCHMSA-N 2 2 339.483 3.409 20 0 EGADLP CC1CCC(C[NH2+]CC2(CCNC(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC001164335212 1383178471 /nfs/dbraw/zinc/17/84/71/1383178471.db2.gz SQEJISXTIMZJGV-UHFFFAOYSA-N 2 2 346.519 3.045 20 0 EGADLP Cc1c[nH+]c(N2CCC(C[NH3+])(c3ccccc3)CC2)nc1NC(C)C ZINC001164427950 1383186182 /nfs/dbraw/zinc/18/61/82/1383186182.db2.gz JRHIXBMVEBANKL-UHFFFAOYSA-N 2 2 339.487 3.102 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH+]c1 ZINC001164492328 1383193353 /nfs/dbraw/zinc/19/33/53/1383193353.db2.gz JSKXYISUVIFGDE-YZGWKJHDSA-N 2 2 336.483 3.470 20 0 EGADLP CN(C)c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]c1 ZINC001164492328 1383193354 /nfs/dbraw/zinc/19/33/54/1383193354.db2.gz JSKXYISUVIFGDE-YZGWKJHDSA-N 2 2 336.483 3.470 20 0 EGADLP CCc1cc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001165305963 1383270204 /nfs/dbraw/zinc/27/02/04/1383270204.db2.gz PQTKURXPOJBNEG-CYBMUJFWSA-N 2 2 328.382 3.001 20 0 EGADLP CCc1nc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc(C)[nH+]1 ZINC001165307167 1383270240 /nfs/dbraw/zinc/27/02/40/1383270240.db2.gz LOHZUQADENPKBP-LBPRGKRZSA-N 2 2 328.382 3.001 20 0 EGADLP Cc1nc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c(C)c(C)[nH+]1 ZINC001165305477 1383270315 /nfs/dbraw/zinc/27/03/15/1383270315.db2.gz AGEFFAJZKHFKDK-CYBMUJFWSA-N 2 2 328.382 3.055 20 0 EGADLP O=C(CCc1c[nH]c[nH+]1)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001165383561 1383282991 /nfs/dbraw/zinc/28/29/91/1383282991.db2.gz MZRBNISGEKFAHF-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP O=C(CCc1c[nH+]c[nH]1)NCCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC001165383561 1383282993 /nfs/dbraw/zinc/28/29/93/1383282993.db2.gz MZRBNISGEKFAHF-UHFFFAOYSA-N 2 2 346.519 3.189 20 0 EGADLP CCC/C=C/CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348179 1383605778 /nfs/dbraw/zinc/60/57/78/1383605778.db2.gz DMGYOKKZESPXHV-DUMMIQTOSA-N 2 2 346.519 3.457 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426283 1383631072 /nfs/dbraw/zinc/63/10/72/1383631072.db2.gz QJZHUKSBYATAKN-MRXNPFEDSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167426283 1383631076 /nfs/dbraw/zinc/63/10/76/1383631076.db2.gz QJZHUKSBYATAKN-MRXNPFEDSA-N 2 2 346.519 3.045 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+]CCC1CCCCCC1)n1cc[nH+]c1 ZINC001167427789 1383631174 /nfs/dbraw/zinc/63/11/74/1383631174.db2.gz AGGUXQYBHLRRQL-KRWDZBQOSA-N 2 2 334.508 3.291 20 0 EGADLP C[C@H](CC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001167435523 1383633425 /nfs/dbraw/zinc/63/34/25/1383633425.db2.gz CUCMLIYYSGUPIQ-HUUCEWRRSA-N 2 2 348.878 3.345 20 0 EGADLP Cc1cc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c2[nH+]ccn2c1 ZINC001167643347 1383696449 /nfs/dbraw/zinc/69/64/49/1383696449.db2.gz ZZHVDYIWPZXKIW-UHFFFAOYSA-N 2 2 344.459 3.036 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001167751988 1383730747 /nfs/dbraw/zinc/73/07/47/1383730747.db2.gz AJBDWYKGSSXFOP-ZDUSSCGKSA-N 2 2 330.432 3.026 20 0 EGADLP COC(=O)c1cc2[nH+]c[nH]c2c(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001167751988 1383730749 /nfs/dbraw/zinc/73/07/49/1383730749.db2.gz AJBDWYKGSSXFOP-ZDUSSCGKSA-N 2 2 330.432 3.026 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC001167900884 1383767862 /nfs/dbraw/zinc/76/78/62/1383767862.db2.gz NJSTUBVDJDLKAO-UHFFFAOYSA-N 2 2 346.519 3.107 20 0 EGADLP C[NH+](C)Cc1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001303033637 1383779365 /nfs/dbraw/zinc/77/93/65/1383779365.db2.gz NRYKVKHYBFBRHL-HXUWFJFHSA-N 2 2 348.450 3.116 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001167979507 1383784921 /nfs/dbraw/zinc/78/49/21/1383784921.db2.gz SRXFHVXQULLTNL-IAGOWNOFSA-N 2 2 342.487 3.062 20 0 EGADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001167979507 1383784928 /nfs/dbraw/zinc/78/49/28/1383784928.db2.gz SRXFHVXQULLTNL-IAGOWNOFSA-N 2 2 342.487 3.062 20 0 EGADLP C[C@H]1CC([NH2+]C2(c3cnn(C)c3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012757 1383796563 /nfs/dbraw/zinc/79/65/63/1383796563.db2.gz DSDQPHFBFFSQIL-IRXDYDNUSA-N 2 2 338.499 3.440 20 0 EGADLP Cc1[nH+]cn(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1CC[NH3+] ZINC001168011918 1383796592 /nfs/dbraw/zinc/79/65/92/1383796592.db2.gz UHYKNQKVDADKAD-HZPDHXFCSA-N 3 2 326.488 3.307 20 0 EGADLP C[C@@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1C1CCC([NH+](C)C)CC1 ZINC001168321874 1383872571 /nfs/dbraw/zinc/87/25/71/1383872571.db2.gz LFEWPMBEKVEUDG-FAEJEUNOSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C1CCC([NH+](C)C)CC1 ZINC001168321874 1383872577 /nfs/dbraw/zinc/87/25/77/1383872577.db2.gz LFEWPMBEKVEUDG-FAEJEUNOSA-N 2 2 346.519 3.059 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371611 1383887592 /nfs/dbraw/zinc/88/75/92/1383887592.db2.gz PJQZJHNNIBIXKL-PGRDOPGGSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168371611 1383887596 /nfs/dbraw/zinc/88/75/96/1383887596.db2.gz PJQZJHNNIBIXKL-PGRDOPGGSA-N 3 2 341.543 3.361 20 0 EGADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387786 1383891386 /nfs/dbraw/zinc/89/13/86/1383891386.db2.gz UJSFIKQKPPEGAV-NRFANRHFSA-N 3 2 341.543 3.315 20 0 EGADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387786 1383891394 /nfs/dbraw/zinc/89/13/94/1383891394.db2.gz UJSFIKQKPPEGAV-NRFANRHFSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387786 1383891397 /nfs/dbraw/zinc/89/13/97/1383891397.db2.gz UJSFIKQKPPEGAV-NRFANRHFSA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168387786 1383891403 /nfs/dbraw/zinc/89/14/03/1383891403.db2.gz UJSFIKQKPPEGAV-NRFANRHFSA-N 3 2 341.543 3.315 20 0 EGADLP COc1ccc([C@H]2C[C@H]([NH2+]CC[NH+]3CCC(C)CC3)CCO2)cc1 ZINC001168573890 1383939893 /nfs/dbraw/zinc/93/98/93/1383939893.db2.gz ACUSCOJBJUNUSZ-UYAOXDASSA-N 2 2 332.488 3.237 20 0 EGADLP C[NH+](C)CC(C)(C)CNc1c(Br)ccc2[nH+]ccn21 ZINC001168769042 1383997554 /nfs/dbraw/zinc/99/75/54/1383997554.db2.gz LAUCBGJHRIWXJB-UHFFFAOYSA-N 2 2 325.254 3.097 20 0 EGADLP COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169146420 1384114729 /nfs/dbraw/zinc/11/47/29/1384114729.db2.gz PICWWYRVCPTAEF-BJWYYQGGSA-N 2 2 349.906 3.096 20 0 EGADLP COc1ccc(Cl)cc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169146420 1384114730 /nfs/dbraw/zinc/11/47/30/1384114730.db2.gz PICWWYRVCPTAEF-BJWYYQGGSA-N 2 2 349.906 3.096 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169152604 1384115657 /nfs/dbraw/zinc/11/56/57/1384115657.db2.gz CRMGUWLDBOSTAJ-BWTSREIZSA-N 2 2 344.499 3.467 20 0 EGADLP CCOc1cc2c(cc1OCC)C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169152604 1384115659 /nfs/dbraw/zinc/11/56/59/1384115659.db2.gz CRMGUWLDBOSTAJ-BWTSREIZSA-N 2 2 344.499 3.467 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169152604 1384115661 /nfs/dbraw/zinc/11/56/61/1384115661.db2.gz CRMGUWLDBOSTAJ-BWTSREIZSA-N 2 2 344.499 3.467 20 0 EGADLP CCOc1cc2c(cc1OCC)C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169152604 1384115663 /nfs/dbraw/zinc/11/56/63/1384115663.db2.gz CRMGUWLDBOSTAJ-BWTSREIZSA-N 2 2 344.499 3.467 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321858 1384119035 /nfs/dbraw/zinc/11/90/35/1384119035.db2.gz IKPNCEXRZMMRRL-YVWKXTFCSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321858 1384119037 /nfs/dbraw/zinc/11/90/37/1384119037.db2.gz IKPNCEXRZMMRRL-YVWKXTFCSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321858 1384119038 /nfs/dbraw/zinc/11/90/38/1384119038.db2.gz IKPNCEXRZMMRRL-YVWKXTFCSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321858 1384119039 /nfs/dbraw/zinc/11/90/39/1384119039.db2.gz IKPNCEXRZMMRRL-YVWKXTFCSA-N 2 2 327.516 3.112 20 0 EGADLP CC(C)c1nc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cs1 ZINC001308365373 1384121965 /nfs/dbraw/zinc/12/19/65/1384121965.db2.gz CRIWHKJVQWMRHM-GOSISDBHSA-N 2 2 345.512 3.123 20 0 EGADLP CC(C)c1nc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cs1 ZINC001308365373 1384121969 /nfs/dbraw/zinc/12/19/69/1384121969.db2.gz CRIWHKJVQWMRHM-GOSISDBHSA-N 2 2 345.512 3.123 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC001169244148 1384126775 /nfs/dbraw/zinc/12/67/75/1384126775.db2.gz DJRGYUFROXXBMD-QUCCMNQESA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC001169244148 1384126776 /nfs/dbraw/zinc/12/67/76/1384126776.db2.gz DJRGYUFROXXBMD-QUCCMNQESA-N 3 2 329.532 3.219 20 0 EGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(Br)cn2)CC1 ZINC001169244122 1384126891 /nfs/dbraw/zinc/12/68/91/1384126891.db2.gz BTYAZSUWPVLSFZ-LBPRGKRZSA-N 2 2 326.282 3.287 20 0 EGADLP Cc1ccc(NC(=O)NCCC2CC[NH+](C(C)C)CC2)c(N(C)C)[nH+]1 ZINC001310462696 1384224791 /nfs/dbraw/zinc/22/47/91/1384224791.db2.gz GMQPUGSBJOLVOU-UHFFFAOYSA-N 2 2 347.507 3.088 20 0 EGADLP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC001170170640 1384254331 /nfs/dbraw/zinc/25/43/31/1384254331.db2.gz MTOQMXHOZFFWHW-MOPGFXCFSA-N 2 2 332.488 3.207 20 0 EGADLP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001311247002 1384269717 /nfs/dbraw/zinc/26/97/17/1384269717.db2.gz GJWJRXHVHTZTDM-UHFFFAOYSA-N 2 2 345.491 3.068 20 0 EGADLP C[C@H](Cc1ccccc1Cl)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001170259544 1384277973 /nfs/dbraw/zinc/27/79/73/1384277973.db2.gz DPVNRFIAMTYRSQ-XPGWFJOJSA-N 2 2 343.902 3.072 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170484411 1384328902 /nfs/dbraw/zinc/32/89/02/1384328902.db2.gz YKTXJOBTKKIFNX-INIZCTEOSA-N 2 2 336.524 3.433 20 0 EGADLP CNc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c[nH+]1 ZINC001170528504 1384336103 /nfs/dbraw/zinc/33/61/03/1384336103.db2.gz RGIHQEITBSLQBU-UHFFFAOYSA-N 3 2 349.482 3.033 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCCC[NH2+]CC[C@H](C)F)ccn12 ZINC001170786339 1384385583 /nfs/dbraw/zinc/38/55/83/1384385583.db2.gz RZKAGYBILMDYDM-LSDHHAIUSA-N 2 2 348.466 3.269 20 0 EGADLP Fc1ccc2c[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)cc2c1 ZINC001171283691 1384485233 /nfs/dbraw/zinc/48/52/33/1384485233.db2.gz YDJRWRZHDCJMEF-UHFFFAOYSA-N 2 2 336.414 3.396 20 0 EGADLP CC(C)=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001171474388 1384532915 /nfs/dbraw/zinc/53/29/15/1384532915.db2.gz AVZNSFZAKSCFDT-INIZCTEOSA-N 2 2 334.508 3.157 20 0 EGADLP CC/C=C/CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486227 1384537894 /nfs/dbraw/zinc/53/78/94/1384537894.db2.gz JKDAQKZWTJEFIA-FUTAKVPZSA-N 2 2 347.503 3.254 20 0 EGADLP Fc1cc2c(c(F)c1F)C[C@H](n1cc[nH+]c1[C@H]1CCC[NH2+]C1)CC2 ZINC001171543450 1384557893 /nfs/dbraw/zinc/55/78/93/1384557893.db2.gz JXAVATUBJPEYTJ-QWHCGFSZSA-N 2 2 335.373 3.497 20 0 EGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171583708 1384571710 /nfs/dbraw/zinc/57/17/10/1384571710.db2.gz CUYRHNVTRPGVQQ-PMPSAXMXSA-N 2 2 341.540 3.340 20 0 EGADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171583707 1384571848 /nfs/dbraw/zinc/57/18/48/1384571848.db2.gz CUYRHNVTRPGVQQ-OWCLPIDISA-N 2 2 341.540 3.340 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171603924 1384577146 /nfs/dbraw/zinc/57/71/46/1384577146.db2.gz DVUBHKDDGMETJX-SJLPKXTDSA-N 2 2 348.535 3.146 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001171603920 1384577226 /nfs/dbraw/zinc/57/72/26/1384577226.db2.gz DVUBHKDDGMETJX-AEFFLSMTSA-N 2 2 348.535 3.146 20 0 EGADLP CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001171606337 1384577972 /nfs/dbraw/zinc/57/79/72/1384577972.db2.gz UKIJXMUGGZYAAK-ZWKOTPCHSA-N 2 2 348.535 3.290 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001171607124 1384578957 /nfs/dbraw/zinc/57/89/57/1384578957.db2.gz ZJMSTWQZJQYITR-WMZOPIPTSA-N 2 2 348.535 3.146 20 0 EGADLP C[NH+]1C(C)(C)CC([N@@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)CC1(C)C ZINC001171631670 1384586466 /nfs/dbraw/zinc/58/64/66/1384586466.db2.gz LQEYDCZRIONPAT-GOSISDBHSA-N 2 2 341.499 3.151 20 0 EGADLP C[NH+]1C(C)(C)CC([N@H+]2CCN3C(=O)c4ccccc4[C@H]3C2)CC1(C)C ZINC001171631670 1384586469 /nfs/dbraw/zinc/58/64/69/1384586469.db2.gz LQEYDCZRIONPAT-GOSISDBHSA-N 2 2 341.499 3.151 20 0 EGADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2[NH3+])cc1 ZINC001171663622 1384594956 /nfs/dbraw/zinc/59/49/56/1384594956.db2.gz NWTHKUJRUPMUCX-NYVOZVTQSA-N 2 2 337.511 3.117 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1Cc1ccccc1 ZINC001171732588 1384618609 /nfs/dbraw/zinc/61/86/09/1384618609.db2.gz CRIWNUFLTWMIHM-LAUBAEHRSA-N 2 2 327.516 3.113 20 0 EGADLP C[C@@H]1C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001171764158 1384628806 /nfs/dbraw/zinc/62/88/06/1384628806.db2.gz RFUGFSVJPDVTGP-SJLPKXTDSA-N 2 2 349.469 3.065 20 0 EGADLP C[C@@H]1C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001171764158 1384628812 /nfs/dbraw/zinc/62/88/12/1384628812.db2.gz RFUGFSVJPDVTGP-SJLPKXTDSA-N 2 2 349.469 3.065 20 0 EGADLP Fc1cccc2c1C[C@@H]([NH2+]CC1CCN(c3cccc[nH+]3)CC1)C2 ZINC001171780627 1384633941 /nfs/dbraw/zinc/63/39/41/1384633941.db2.gz NXVHRZADVYMLBF-KRWDZBQOSA-N 2 2 325.431 3.194 20 0 EGADLP Oc1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171784281 1384635363 /nfs/dbraw/zinc/63/53/63/1384635363.db2.gz CXEVTFXZLNZVQU-SFHVURJKSA-N 2 2 340.442 3.253 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1=CCCCC1)NC(=O)CCc1[nH+]ccn1C ZINC001171896441 1384673999 /nfs/dbraw/zinc/67/39/99/1384673999.db2.gz OHFJOWDYVORSKG-KRWDZBQOSA-N 2 2 346.519 3.118 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963912 1384697439 /nfs/dbraw/zinc/69/74/39/1384697439.db2.gz FUILUDOFGYUANY-GOSISDBHSA-N 3 2 326.488 3.308 20 0 EGADLP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963912 1384697441 /nfs/dbraw/zinc/69/74/41/1384697441.db2.gz FUILUDOFGYUANY-GOSISDBHSA-N 3 2 326.488 3.308 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987566 1384705778 /nfs/dbraw/zinc/70/57/78/1384705778.db2.gz XNVDJNWMOZBJKM-KCZVDYSFSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987566 1384705779 /nfs/dbraw/zinc/70/57/79/1384705779.db2.gz XNVDJNWMOZBJKM-KCZVDYSFSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987566 1384705784 /nfs/dbraw/zinc/70/57/84/1384705784.db2.gz XNVDJNWMOZBJKM-KCZVDYSFSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1C[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987566 1384705787 /nfs/dbraw/zinc/70/57/87/1384705787.db2.gz XNVDJNWMOZBJKM-KCZVDYSFSA-N 3 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1CN([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987566 1384705796 /nfs/dbraw/zinc/70/57/96/1384705796.db2.gz XNVDJNWMOZBJKM-KCZVDYSFSA-N 2 2 341.543 3.313 20 0 EGADLP C[NH+](C)C[C@@]12C[C@@H]1CN([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171987566 1384705799 /nfs/dbraw/zinc/70/57/99/1384705799.db2.gz XNVDJNWMOZBJKM-KCZVDYSFSA-N 2 2 341.543 3.313 20 0 EGADLP COCCC[NH+]1CCC([NH2+]C(C)(C)c2cc(Cl)ccn2)CC1 ZINC001172250969 1384756041 /nfs/dbraw/zinc/75/60/41/1384756041.db2.gz WWIOEYINNGKBBA-UHFFFAOYSA-N 2 2 325.884 3.061 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809815 1384857497 /nfs/dbraw/zinc/85/74/97/1384857497.db2.gz ZUDGYTLOPDFRGB-ZWKOTPCHSA-N 2 2 341.455 3.426 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001172809815 1384857501 /nfs/dbraw/zinc/85/75/01/1384857501.db2.gz ZUDGYTLOPDFRGB-ZWKOTPCHSA-N 2 2 341.455 3.426 20 0 EGADLP Cc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)CC2 ZINC001172829145 1384860264 /nfs/dbraw/zinc/86/02/64/1384860264.db2.gz ATJOUIBVXDSCGU-RJGXRXQPSA-N 2 2 347.506 3.311 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](OC)C3)CC2)c1 ZINC001172926810 1384880464 /nfs/dbraw/zinc/88/04/64/1384880464.db2.gz SWRSBZZBPIBDNN-QUCCMNQESA-N 2 2 332.488 3.207 20 0 EGADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172974158 1384893213 /nfs/dbraw/zinc/89/32/13/1384893213.db2.gz HKKXCEXNMNQPGE-GJZGRUSLSA-N 2 2 336.480 3.168 20 0 EGADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173410985 1384968110 /nfs/dbraw/zinc/96/81/10/1384968110.db2.gz TXFASDNJWHQTLV-HNNXBMFYSA-N 2 2 349.906 3.019 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H](n2c[nH+]cc2-c2cccc(C[NH3+])c2)C1 ZINC001173633092 1384992945 /nfs/dbraw/zinc/99/29/45/1384992945.db2.gz PAMXKFQTJXQXOK-RHSMWYFYSA-N 2 2 327.428 3.303 20 0 EGADLP CCOC(=O)C[C@@H]1CC[C@@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)C1 ZINC001173664773 1384999530 /nfs/dbraw/zinc/99/95/30/1384999530.db2.gz OCOLNHTYEZFANT-SJLPKXTDSA-N 2 2 345.487 3.070 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317397393 1385113868 /nfs/dbraw/zinc/11/38/68/1385113868.db2.gz LNBOTXOBJBJEHF-HUUCEWRRSA-N 2 2 330.476 3.343 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC1CCC1)NC(=O)CCn1cc[nH+]c1 ZINC001174580489 1385122021 /nfs/dbraw/zinc/12/20/21/1385122021.db2.gz KEOZIYGQEFVUDN-KRWDZBQOSA-N 2 2 334.508 3.118 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001175357057 1385264680 /nfs/dbraw/zinc/26/46/80/1385264680.db2.gz BYXLKJGUHFOXOQ-RCCFBDPRSA-N 2 2 348.535 3.224 20 0 EGADLP Cc1cccc(C)c1C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175480284 1385306321 /nfs/dbraw/zinc/30/63/21/1385306321.db2.gz WXQNAXXWMTWJFB-KRWDZBQOSA-N 2 2 342.487 3.034 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175502385 1385312819 /nfs/dbraw/zinc/31/28/19/1385312819.db2.gz IEZJOKPHMGLXSI-IRXDYDNUSA-N 2 2 334.508 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]CC1CCCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175502388 1385312960 /nfs/dbraw/zinc/31/29/60/1385312960.db2.gz IEZJOKPHMGLXSI-SJORKVTESA-N 2 2 334.508 3.289 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175638760 1385360592 /nfs/dbraw/zinc/36/05/92/1385360592.db2.gz TUOVSEDVGHPMNC-HOTGVXAUSA-N 2 2 336.524 3.289 20 0 EGADLP CCC(CC)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175638760 1385360598 /nfs/dbraw/zinc/36/05/98/1385360598.db2.gz TUOVSEDVGHPMNC-HOTGVXAUSA-N 2 2 336.524 3.289 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175643600 1385361058 /nfs/dbraw/zinc/36/10/58/1385361058.db2.gz DGQOUTFLOVQZDD-IAGOWNOFSA-N 2 2 336.524 3.433 20 0 EGADLP CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175643600 1385361063 /nfs/dbraw/zinc/36/10/63/1385361063.db2.gz DGQOUTFLOVQZDD-IAGOWNOFSA-N 2 2 336.524 3.433 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCCC1CCCC1 ZINC001176351225 1385559615 /nfs/dbraw/zinc/55/96/15/1385559615.db2.gz RATVLCNRTVXISK-MRXNPFEDSA-N 2 2 348.535 3.496 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)c1ccccc1 ZINC001176350603 1385559693 /nfs/dbraw/zinc/55/96/93/1385559693.db2.gz IEUCQVYFLSJYDL-HZPDHXFCSA-N 2 2 342.487 3.286 20 0 EGADLP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC001318012851 1385607946 /nfs/dbraw/zinc/60/79/46/1385607946.db2.gz MAQPNMDIZNUFEG-SJORKVTESA-N 2 2 340.471 3.135 20 0 EGADLP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC001318012851 1385607949 /nfs/dbraw/zinc/60/79/49/1385607949.db2.gz MAQPNMDIZNUFEG-SJORKVTESA-N 2 2 340.471 3.135 20 0 EGADLP C[C@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC001176828458 1385715269 /nfs/dbraw/zinc/71/52/69/1385715269.db2.gz AKZKAMYZEPFHIU-QGZVFWFLSA-N 2 2 332.492 3.038 20 0 EGADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001318592589 1385777115 /nfs/dbraw/zinc/77/71/15/1385777115.db2.gz HLXZVGXSUZBGLP-BLLLJJGKSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CSc2ccccc21 ZINC001318931034 1385885704 /nfs/dbraw/zinc/88/57/04/1385885704.db2.gz HKKBORBPSFKTTO-AWEZNQCLSA-N 2 2 336.420 3.404 20 0 EGADLP Cc1nc(CCCC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)cs1 ZINC001319095878 1385959870 /nfs/dbraw/zinc/95/98/70/1385959870.db2.gz HNYROEXKFLDRDY-UHFFFAOYSA-N 2 2 341.440 3.302 20 0 EGADLP CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CCc1c[nH+]cn1C ZINC001177473017 1385970135 /nfs/dbraw/zinc/97/01/35/1385970135.db2.gz MYASIMPZYMZROW-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc3nsnc32)[nH+]1 ZINC001319388769 1386098376 /nfs/dbraw/zinc/09/83/76/1386098376.db2.gz LJBMIKXDILKVIV-HNNXBMFYSA-N 2 2 339.468 3.471 20 0 EGADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cccc3nsnc32)[nH+]1 ZINC001319388769 1386098386 /nfs/dbraw/zinc/09/83/86/1386098386.db2.gz LJBMIKXDILKVIV-HNNXBMFYSA-N 2 2 339.468 3.471 20 0 EGADLP CC(C)C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001319630869 1386219154 /nfs/dbraw/zinc/21/91/54/1386219154.db2.gz KQEIYWSQUNKNMZ-KRWDZBQOSA-N 2 2 334.508 3.043 20 0 EGADLP CC1(C)CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001178782485 1386302870 /nfs/dbraw/zinc/30/28/70/1386302870.db2.gz HKSGSQJAPAVEDT-LJQANCHMSA-N 2 2 346.515 3.314 20 0 EGADLP CC[C@@H](C)C[NH2+]CCCCCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001178808198 1386312642 /nfs/dbraw/zinc/31/26/42/1386312642.db2.gz BYMZVWPFJKFBHI-MRXNPFEDSA-N 2 2 336.524 3.239 20 0 EGADLP CCCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001179000179 1386372446 /nfs/dbraw/zinc/37/24/46/1386372446.db2.gz WVDGIDAHAWEVHP-HOCLYGCPSA-N 2 2 328.460 3.336 20 0 EGADLP Cc1cc(C)c(C(=O)NCCCCCC[NH2+]CCC[C@@H](C)O)c(C)[nH+]1 ZINC001179084546 1386395481 /nfs/dbraw/zinc/39/54/81/1386395481.db2.gz AMWBZPVZBLSONP-QGZVFWFLSA-N 2 2 349.519 3.048 20 0 EGADLP CCC[NH2+]CCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001179157605 1386413553 /nfs/dbraw/zinc/41/35/53/1386413553.db2.gz MSMBCAHZWKBZHM-UHFFFAOYSA-N 2 2 328.460 3.162 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320050409 1386476308 /nfs/dbraw/zinc/47/63/08/1386476308.db2.gz FHASZPLOYNJCQG-QGZVFWFLSA-N 2 2 326.444 3.260 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)nc1 ZINC001320050409 1386476309 /nfs/dbraw/zinc/47/63/09/1386476309.db2.gz FHASZPLOYNJCQG-QGZVFWFLSA-N 2 2 326.444 3.260 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2F)[nH+]1 ZINC001320056261 1386480098 /nfs/dbraw/zinc/48/00/98/1386480098.db2.gz RJRYZYVUHUHLPJ-CRAIPNDOSA-N 2 2 329.419 3.139 20 0 EGADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2F)[nH+]1 ZINC001320056261 1386480100 /nfs/dbraw/zinc/48/01/00/1386480100.db2.gz RJRYZYVUHUHLPJ-CRAIPNDOSA-N 2 2 329.419 3.139 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC001320228365 1386560903 /nfs/dbraw/zinc/56/09/03/1386560903.db2.gz SBOBJOPVYUVVIS-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(Br)ncc2F)C1 ZINC001320228365 1386560906 /nfs/dbraw/zinc/56/09/06/1386560906.db2.gz SBOBJOPVYUVVIS-VXGBXAGGSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC001179906723 1386623966 /nfs/dbraw/zinc/62/39/66/1386623966.db2.gz JABWKDQOYYEZNH-OAHLLOKOSA-N 2 2 346.450 3.119 20 0 EGADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CC1CCCCCC1 ZINC001180065396 1386685461 /nfs/dbraw/zinc/68/54/61/1386685461.db2.gz PZSHUFURIJBTNW-UHFFFAOYSA-N 2 2 348.535 3.199 20 0 EGADLP CC[C@@H]1C[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CCO1 ZINC001320840695 1386735218 /nfs/dbraw/zinc/73/52/18/1386735218.db2.gz UNDOHKTWYMCWRI-LSDHHAIUSA-N 2 2 328.416 3.110 20 0 EGADLP COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001321206267 1386840912 /nfs/dbraw/zinc/84/09/12/1386840912.db2.gz MCACRJFIYSBPAK-SFHVURJKSA-N 2 2 339.439 3.253 20 0 EGADLP COC(=O)c1cccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001321206267 1386840919 /nfs/dbraw/zinc/84/09/19/1386840919.db2.gz MCACRJFIYSBPAK-SFHVURJKSA-N 2 2 339.439 3.253 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)n1cc[nH+]c1 ZINC001322024929 1387033358 /nfs/dbraw/zinc/03/33/58/1387033358.db2.gz LNKKPHJIPFSDQL-CVEARBPZSA-N 2 2 326.444 3.315 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)n1cc[nH+]c1 ZINC001322024929 1387033364 /nfs/dbraw/zinc/03/33/64/1387033364.db2.gz LNKKPHJIPFSDQL-CVEARBPZSA-N 2 2 326.444 3.315 20 0 EGADLP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217003 1387105933 /nfs/dbraw/zinc/10/59/33/1387105933.db2.gz BNENYEDKIHAWID-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001322217003 1387105934 /nfs/dbraw/zinc/10/59/34/1387105934.db2.gz BNENYEDKIHAWID-CABCVRRESA-N 2 2 348.878 3.124 20 0 EGADLP CC[NH+](CC)[C@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1Cl ZINC001182222518 1387123673 /nfs/dbraw/zinc/12/36/73/1387123673.db2.gz FISFJYGKPKOKRO-KRWDZBQOSA-N 2 2 348.878 3.044 20 0 EGADLP CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001182580134 1387190497 /nfs/dbraw/zinc/19/04/97/1387190497.db2.gz VUUZPKNBWLCNBM-GQIGUUNPSA-N 2 2 346.519 3.094 20 0 EGADLP CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001182758914 1387220007 /nfs/dbraw/zinc/22/00/07/1387220007.db2.gz KWGKVXDEMJWNGA-FUHIMQAGSA-N 2 2 348.535 3.345 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001182863169 1387236104 /nfs/dbraw/zinc/23/61/04/1387236104.db2.gz FVPGCPYXAOSUHX-SQGPQFPESA-N 2 2 348.535 3.243 20 0 EGADLP CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182863169 1387236107 /nfs/dbraw/zinc/23/61/07/1387236107.db2.gz FVPGCPYXAOSUHX-SQGPQFPESA-N 2 2 348.535 3.243 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001698710923 1406352837 /nfs/dbraw/zinc/35/28/37/1406352837.db2.gz CFCGMUGJXIVQDH-MHORFTMASA-N 2 2 348.535 3.288 20 0 EGADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001698710923 1406352842 /nfs/dbraw/zinc/35/28/42/1406352842.db2.gz CFCGMUGJXIVQDH-MHORFTMASA-N 2 2 348.535 3.288 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)cc1O ZINC001330619860 1389471694 /nfs/dbraw/zinc/47/16/94/1389471694.db2.gz YSSCZWPGOXYWTE-CYBMUJFWSA-N 2 2 349.862 3.242 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)cc1O ZINC001330619860 1389471699 /nfs/dbraw/zinc/47/16/99/1389471699.db2.gz YSSCZWPGOXYWTE-CYBMUJFWSA-N 2 2 349.862 3.242 20 0 EGADLP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001698756770 1406409572 /nfs/dbraw/zinc/40/95/72/1406409572.db2.gz OFRWUEMLAMWMBM-HNNXBMFYSA-N 2 2 339.483 3.471 20 0 EGADLP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(O)c1F ZINC001332231193 1390058159 /nfs/dbraw/zinc/05/81/59/1390058159.db2.gz HYENMIUUMKDIME-HNNXBMFYSA-N 2 2 343.446 3.134 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc4ncccc34)[nH+]c2)C1 ZINC001332269082 1390069561 /nfs/dbraw/zinc/06/95/61/1390069561.db2.gz FJMMZXHRLRSGIH-GOSISDBHSA-N 2 2 347.466 3.382 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001332270474 1390071482 /nfs/dbraw/zinc/07/14/82/1390071482.db2.gz DKEMDCZCLNVQFI-RDJZCZTQSA-N 2 2 342.487 3.487 20 0 EGADLP CC(C)(C)[C@H](C[NH2+]CC1CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001332907115 1390214542 /nfs/dbraw/zinc/21/45/42/1390214542.db2.gz GFAISZMJEBTTSO-SFHVURJKSA-N 2 2 348.535 3.364 20 0 EGADLP CC[NH2+]C1(CNC(=O)[C@H](C)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001333015060 1390236967 /nfs/dbraw/zinc/23/69/67/1390236967.db2.gz QDHZLWUZPCKTHI-GOSISDBHSA-N 2 2 345.531 3.039 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001343355347 1390708935 /nfs/dbraw/zinc/70/89/35/1390708935.db2.gz YRGNGHIFWNHOGW-ZBFHGGJFSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC001343355347 1390708936 /nfs/dbraw/zinc/70/89/36/1390708936.db2.gz YRGNGHIFWNHOGW-ZBFHGGJFSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001343355347 1390708937 /nfs/dbraw/zinc/70/89/37/1390708937.db2.gz YRGNGHIFWNHOGW-ZBFHGGJFSA-N 2 2 336.549 3.214 20 0 EGADLP Cc1nc(N2CCCCC2)sc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC001343355347 1390708938 /nfs/dbraw/zinc/70/89/38/1390708938.db2.gz YRGNGHIFWNHOGW-ZBFHGGJFSA-N 2 2 336.549 3.214 20 0 EGADLP COCn1ncc(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001343648050 1390728602 /nfs/dbraw/zinc/72/86/02/1390728602.db2.gz UJUVAKICRIXAFM-KRWDZBQOSA-N 2 2 342.487 3.111 20 0 EGADLP [NH3+][C@@H](C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)c1cccc(Cl)c1 ZINC001345430698 1390859880 /nfs/dbraw/zinc/85/98/80/1390859880.db2.gz COLKYHQEKHFDMR-QGZVFWFLSA-N 2 2 344.846 3.364 20 0 EGADLP C[C@H](C[NH+]1CCC([NH2+]C2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC001350338677 1391449887 /nfs/dbraw/zinc/44/98/87/1391449887.db2.gz TWAHBWOJMAKATR-CQSZACIVSA-N 2 2 338.442 3.301 20 0 EGADLP c1c2ccncc2sc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001350338608 1391450294 /nfs/dbraw/zinc/45/02/94/1391450294.db2.gz RLGMEELSUGLHLG-UHFFFAOYSA-N 2 2 331.485 3.029 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccnc2Br)C1 ZINC001352860167 1391863349 /nfs/dbraw/zinc/86/33/49/1391863349.db2.gz BZAIUKCGWXFYIU-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccnc2Br)C1 ZINC001352860167 1391863356 /nfs/dbraw/zinc/86/33/56/1391863356.db2.gz BZAIUKCGWXFYIU-CYBMUJFWSA-N 2 2 349.276 3.032 20 0 EGADLP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479835516 1392421044 /nfs/dbraw/zinc/42/10/44/1392421044.db2.gz WOHNVNLHCHKBAF-MAUKXSAKSA-N 2 2 334.508 3.056 20 0 EGADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccccc2)c(C)[nH+]1 ZINC001480507220 1392773492 /nfs/dbraw/zinc/77/34/92/1392773492.db2.gz JMOSSLMJJZFKAU-HZPDHXFCSA-N 2 2 325.456 3.476 20 0 EGADLP CC(C)C[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001698881789 1406611719 /nfs/dbraw/zinc/61/17/19/1406611719.db2.gz NFMIYJYQXDQSFW-QGZVFWFLSA-N 2 2 342.487 3.259 20 0 EGADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001481237443 1393152287 /nfs/dbraw/zinc/15/22/87/1393152287.db2.gz IJCIBZIEHGJLJY-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@@H]([NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001481237443 1393152288 /nfs/dbraw/zinc/15/22/88/1393152288.db2.gz IJCIBZIEHGJLJY-QGZVFWFLSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001481333171 1393165561 /nfs/dbraw/zinc/16/55/61/1393165561.db2.gz BMEBMTJYOYDSTB-IUAZIXFQSA-N 2 2 346.862 3.146 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]C(C)C)c1ccc(C(C)C)cc1 ZINC001481359067 1393180691 /nfs/dbraw/zinc/18/06/91/1393180691.db2.gz DROZTADCDYSKCR-IBGZPJMESA-N 2 2 342.487 3.240 20 0 EGADLP CN(CCC[N@H+](C)CC1CCCCCC1)C(=O)CCc1[nH+]ccn1C ZINC001484751581 1395504282 /nfs/dbraw/zinc/50/42/82/1395504282.db2.gz ZIQOMCJSJNFNES-UHFFFAOYSA-N 2 2 348.535 3.103 20 0 EGADLP CN(CCC[N@@H+](C)CC1CCCCCC1)C(=O)CCc1[nH+]ccn1C ZINC001484751581 1395504285 /nfs/dbraw/zinc/50/42/85/1395504285.db2.gz ZIQOMCJSJNFNES-UHFFFAOYSA-N 2 2 348.535 3.103 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001699002937 1406818125 /nfs/dbraw/zinc/81/81/25/1406818125.db2.gz NLSSUAFYSXYMEF-CQSZACIVSA-N 2 2 348.878 3.065 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001699002937 1406818132 /nfs/dbraw/zinc/81/81/32/1406818132.db2.gz NLSSUAFYSXYMEF-CQSZACIVSA-N 2 2 348.878 3.065 20 0 EGADLP CCN(CC[NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC001497489917 1396766137 /nfs/dbraw/zinc/76/61/37/1396766137.db2.gz DPSHBGVHBOLKSM-CYBMUJFWSA-N 2 2 348.878 3.113 20 0 EGADLP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498465879 1397015594 /nfs/dbraw/zinc/01/55/94/1397015594.db2.gz MTJYFCIJSCRQEU-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](C[N@@H+](C)CC1CCCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001498465879 1397015628 /nfs/dbraw/zinc/01/56/28/1397015628.db2.gz MTJYFCIJSCRQEU-QGZVFWFLSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@H](CC(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001690980830 1404892178 /nfs/dbraw/zinc/89/21/78/1404892178.db2.gz ULSCTTUEOIPJLG-HUUCEWRRSA-N 2 2 348.878 3.297 20 0 EGADLP C[C@H](CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC001690980830 1404892183 /nfs/dbraw/zinc/89/21/83/1404892183.db2.gz ULSCTTUEOIPJLG-HUUCEWRRSA-N 2 2 348.878 3.297 20 0 EGADLP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001699979348 1413423971 /nfs/dbraw/zinc/42/39/71/1413423971.db2.gz LOTDDFXKGYFOTJ-BZSNNMDCSA-N 2 2 334.508 3.002 20 0 EGADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCC1CCCCCC1 ZINC001732572074 1428768059 /nfs/dbraw/zinc/76/80/59/1428768059.db2.gz QDRQLMXAVRYFAZ-LJQANCHMSA-N 2 2 348.535 3.054 20 0 EGADLP COC[C@H](C)[NH2+]C1CCC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001700437276 1414005075 /nfs/dbraw/zinc/00/50/75/1414005075.db2.gz HYAZZAINYWUKGU-ZLPCBKJTSA-N 2 2 347.503 3.015 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)CC[C@@H]([NH2+]CC2CC2)C(C)C)c(C)[nH+]1 ZINC001700502812 1414150757 /nfs/dbraw/zinc/15/07/57/1414150757.db2.gz YZLZIDUKSZROLU-GOSISDBHSA-N 2 2 331.504 3.493 20 0 EGADLP C[N@H+](C/C=C/Cl)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131505 1417705998 /nfs/dbraw/zinc/70/59/98/1417705998.db2.gz GHMLKYAPPFHHKI-BOTMBNHJSA-N 2 2 346.862 3.099 20 0 EGADLP C[N@@H+](C/C=C/Cl)C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001713131505 1417705999 /nfs/dbraw/zinc/70/59/99/1417705999.db2.gz GHMLKYAPPFHHKI-BOTMBNHJSA-N 2 2 346.862 3.099 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1)c1ccccc1Cl ZINC001713413976 1418037330 /nfs/dbraw/zinc/03/73/30/1418037330.db2.gz KZUIYHJFEFNXAA-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP CC1(C)CCC(C[N@H+](CCNC(=O)CCn2cc[nH+]c2)C2CC2)CC1 ZINC001713558971 1418355768 /nfs/dbraw/zinc/35/57/68/1418355768.db2.gz AQQFZXITEFNQFX-UHFFFAOYSA-N 2 2 346.519 3.070 20 0 EGADLP CC1(C)CCC(C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)C2CC2)CC1 ZINC001713558971 1418355774 /nfs/dbraw/zinc/35/57/74/1418355774.db2.gz AQQFZXITEFNQFX-UHFFFAOYSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)n1cc[nH+]c1 ZINC001713961049 1418741601 /nfs/dbraw/zinc/74/16/01/1418741601.db2.gz OILRCWDADLSCOM-KBAYOESNSA-N 2 2 346.519 3.287 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609349 1419368680 /nfs/dbraw/zinc/36/86/80/1419368680.db2.gz GBIOPMKZOAPEFA-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001714609349 1419368682 /nfs/dbraw/zinc/36/86/82/1419368682.db2.gz GBIOPMKZOAPEFA-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609349 1419368686 /nfs/dbraw/zinc/36/86/86/1419368686.db2.gz GBIOPMKZOAPEFA-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001714609349 1419368689 /nfs/dbraw/zinc/36/86/89/1419368689.db2.gz GBIOPMKZOAPEFA-OALUTQOASA-N 2 2 340.471 3.074 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001715347787 1420048919 /nfs/dbraw/zinc/04/89/19/1420048919.db2.gz IRIFDPQOBGWETI-ZDUSSCGKSA-N 2 2 339.430 3.102 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001716146374 1420541609 /nfs/dbraw/zinc/54/16/09/1420541609.db2.gz ZSAJPUYEIUZBHX-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CC[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001716146374 1420541611 /nfs/dbraw/zinc/54/16/11/1420541611.db2.gz ZSAJPUYEIUZBHX-KBPBESRZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001716442936 1420661708 /nfs/dbraw/zinc/66/17/08/1420661708.db2.gz KCBFJZBESFERGE-STQMWFEESA-N 2 2 340.402 3.171 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717213852 1421189217 /nfs/dbraw/zinc/18/92/17/1421189217.db2.gz ZDCIJVJEQFSBOU-QGZVFWFLSA-N 2 2 346.450 3.023 20 0 EGADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717213852 1421189218 /nfs/dbraw/zinc/18/92/18/1421189218.db2.gz ZDCIJVJEQFSBOU-QGZVFWFLSA-N 2 2 346.450 3.023 20 0 EGADLP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001717971511 1421743231 /nfs/dbraw/zinc/74/32/31/1421743231.db2.gz MNDAXENYDYCLHF-SFHVURJKSA-N 2 2 348.535 3.054 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461226 1429686253 /nfs/dbraw/zinc/68/62/53/1429686253.db2.gz KPQFCFVEEMHUJB-AZUAARDMSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)C[C@H](C)C[N@H+]1CCC[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001733461226 1429686257 /nfs/dbraw/zinc/68/62/57/1429686257.db2.gz KPQFCFVEEMHUJB-AZUAARDMSA-N 2 2 348.535 3.174 20 0 EGADLP CC(C)C[C@H](C)C[NH2+]C1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001725132527 1425602955 /nfs/dbraw/zinc/60/29/55/1425602955.db2.gz WVFLZQUBSYULLN-VIQWUECVSA-N 2 2 348.535 3.315 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)c1 ZINC001725749160 1426427448 /nfs/dbraw/zinc/42/74/48/1426427448.db2.gz BGXVKCFVVSHFPN-QAPCUYQASA-N 2 2 342.487 3.142 20 0 EGADLP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c1 ZINC001731603089 1427646964 /nfs/dbraw/zinc/64/69/64/1427646964.db2.gz YLTJWQHZEYRGFF-AWEZNQCLSA-N 2 2 336.439 3.033 20 0 EGADLP CC(C)[C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC1CC1 ZINC001734078154 1437865836 /nfs/dbraw/zinc/86/58/36/1437865836.db2.gz IRLRBGITKASLTR-KRWDZBQOSA-N 2 2 342.487 3.439 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001751988630 1440130973 /nfs/dbraw/zinc/13/09/73/1440130973.db2.gz YEJACAJBBLQMKX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001751988630 1440130974 /nfs/dbraw/zinc/13/09/74/1440130974.db2.gz YEJACAJBBLQMKX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001751988630 1440130976 /nfs/dbraw/zinc/13/09/76/1440130976.db2.gz YEJACAJBBLQMKX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001751988630 1440130977 /nfs/dbraw/zinc/13/09/77/1440130977.db2.gz YEJACAJBBLQMKX-AWEZNQCLSA-N 2 2 348.878 3.195 20 0 EGADLP CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706122 1440202596 /nfs/dbraw/zinc/20/25/96/1440202596.db2.gz DMSHRADNOIALPM-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP CCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001752706122 1440202597 /nfs/dbraw/zinc/20/25/97/1440202597.db2.gz DMSHRADNOIALPM-RTBURBONSA-N 2 2 346.519 3.166 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753030180 1440272730 /nfs/dbraw/zinc/27/27/30/1440272730.db2.gz RRFYEHHTHYGMEW-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753030180 1440272731 /nfs/dbraw/zinc/27/27/31/1440272731.db2.gz RRFYEHHTHYGMEW-MRXNPFEDSA-N 2 2 328.460 3.193 20 0 EGADLP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CCC1)c1cccc2[nH+]ccn21 ZINC001753031691 1440273216 /nfs/dbraw/zinc/27/32/16/1440273216.db2.gz ZNQARVRACKUPTI-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(NCCC[C@H]1CCC[N@H+]1CC1CCC1)c1cccc2[nH+]ccn21 ZINC001753031691 1440273217 /nfs/dbraw/zinc/27/32/17/1440273217.db2.gz ZNQARVRACKUPTI-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP Cc1ccccc1[C@H](C)[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753057025 1440281828 /nfs/dbraw/zinc/28/18/28/1440281828.db2.gz LTTICUNCPPUZSX-INIZCTEOSA-N 2 2 336.439 3.066 20 0 EGADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753057025 1440281829 /nfs/dbraw/zinc/28/18/29/1440281829.db2.gz LTTICUNCPPUZSX-INIZCTEOSA-N 2 2 336.439 3.066 20 0 EGADLP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001753280895 1440347344 /nfs/dbraw/zinc/34/73/44/1440347344.db2.gz OTKYILHKISHPMD-FYCOFBDGSA-N 2 2 346.519 3.224 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001753325495 1440366420 /nfs/dbraw/zinc/36/64/20/1440366420.db2.gz BGSSJLBZSNHDLM-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001753325495 1440366421 /nfs/dbraw/zinc/36/64/21/1440366421.db2.gz BGSSJLBZSNHDLM-LJQANCHMSA-N 2 2 346.519 3.236 20 0 EGADLP CCC(CC)C[NH2+]C[C@@]1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC[C@H]1C ZINC001753535124 1440432213 /nfs/dbraw/zinc/43/22/13/1440432213.db2.gz CYOJBBVVTPFTDB-QRWLVFNGSA-N 2 2 348.535 3.352 20 0 EGADLP C[C@@H]([NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1)c1ccccc1 ZINC001753590462 1440442740 /nfs/dbraw/zinc/44/27/40/1440442740.db2.gz GPWROFUKZIBMEH-MRXNPFEDSA-N 2 2 348.450 3.119 20 0 EGADLP CC(C)C[C@H](C(=O)NCCC1CC[NH+](CC2CC2)CC1)n1cc[nH+]c1 ZINC001753596066 1440444654 /nfs/dbraw/zinc/44/46/54/1440444654.db2.gz SQFSDJVTUKUGSF-LJQANCHMSA-N 2 2 346.519 3.099 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001753640086 1440454150 /nfs/dbraw/zinc/45/41/50/1440454150.db2.gz AXPQSWRRVJXKHE-CHWSQXEVSA-N 2 2 348.878 3.017 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001753678398 1440464056 /nfs/dbraw/zinc/46/40/56/1440464056.db2.gz FYNSBCLELAHZES-HNNXBMFYSA-N 2 2 340.471 3.040 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001753854384 1440508126 /nfs/dbraw/zinc/50/81/26/1440508126.db2.gz IOIPLQWLCGVXIP-UHFFFAOYSA-N 2 2 342.487 3.056 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001753854384 1440508127 /nfs/dbraw/zinc/50/81/27/1440508127.db2.gz IOIPLQWLCGVXIP-UHFFFAOYSA-N 2 2 342.487 3.056 20 0 EGADLP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001753854384 1440508128 /nfs/dbraw/zinc/50/81/28/1440508128.db2.gz IOIPLQWLCGVXIP-UHFFFAOYSA-N 2 2 342.487 3.056 20 0 EGADLP CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001753854384 1440508129 /nfs/dbraw/zinc/50/81/29/1440508129.db2.gz IOIPLQWLCGVXIP-UHFFFAOYSA-N 2 2 342.487 3.056 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001753868086 1440516100 /nfs/dbraw/zinc/51/61/00/1440516100.db2.gz RIHDIMFIWYAYHW-QGZVFWFLSA-N 2 2 342.487 3.029 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001753868086 1440516101 /nfs/dbraw/zinc/51/61/01/1440516101.db2.gz RIHDIMFIWYAYHW-QGZVFWFLSA-N 2 2 342.487 3.029 20 0 EGADLP C[C@@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001754003763 1440530503 /nfs/dbraw/zinc/53/05/03/1440530503.db2.gz NCFFKNNDPGHHPR-IRXDYDNUSA-N 2 2 346.519 3.289 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001754018629 1440532134 /nfs/dbraw/zinc/53/21/34/1440532134.db2.gz WFQUMXAGMZWZQR-QWHCGFSZSA-N 2 2 348.878 3.160 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c1 ZINC001754242191 1440555993 /nfs/dbraw/zinc/55/59/93/1440555993.db2.gz CPIYPUBUFSXLJG-MSOLQXFVSA-N 2 2 342.487 3.054 20 0 EGADLP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001754272793 1440561668 /nfs/dbraw/zinc/56/16/68/1440561668.db2.gz SBVHEAZMDUQGJO-AWEZNQCLSA-N 2 2 328.460 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315659 1440575295 /nfs/dbraw/zinc/57/52/95/1440575295.db2.gz JGLUAVKRRLFTML-NVXWUHKLSA-N 2 2 348.516 3.169 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccsc1)n1cc[nH+]c1 ZINC001754315659 1440575296 /nfs/dbraw/zinc/57/52/96/1440575296.db2.gz JGLUAVKRRLFTML-NVXWUHKLSA-N 2 2 348.516 3.169 20 0 EGADLP C[C@@H](CC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1)n1cc[nH+]c1 ZINC001754527931 1440621790 /nfs/dbraw/zinc/62/17/90/1440621790.db2.gz WADCIEGZHJICLW-INIZCTEOSA-N 2 2 346.519 3.289 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CCCOC(C)C)c(C)[nH+]1 ZINC001754614617 1440644342 /nfs/dbraw/zinc/64/43/42/1440644342.db2.gz GJKMNYRYMVHRNA-SFHVURJKSA-N 2 2 347.503 3.016 20 0 EGADLP CC(C)(C)/C=C/C(=O)NCC[NH+]1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001754847266 1440699556 /nfs/dbraw/zinc/69/95/56/1440699556.db2.gz MHYHIJGULMMLJW-JXMROGBWSA-N 2 2 337.552 3.195 20 0 EGADLP CC1CC(C[NH2+]CC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001754920816 1440709352 /nfs/dbraw/zinc/70/93/52/1440709352.db2.gz JMMOBFTZUWMWSJ-HWOWSKLDSA-N 2 2 340.471 3.051 20 0 EGADLP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001754953537 1440715643 /nfs/dbraw/zinc/71/56/43/1440715643.db2.gz FTNKFAAHHCNHQU-KBAYOESNSA-N 2 2 348.535 3.237 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028442 1440730138 /nfs/dbraw/zinc/73/01/38/1440730138.db2.gz FDYGKYBTMAERIW-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001755028442 1440730139 /nfs/dbraw/zinc/73/01/39/1440730139.db2.gz FDYGKYBTMAERIW-PKOBYXMFSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CC(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001755045891 1440740733 /nfs/dbraw/zinc/74/07/33/1440740733.db2.gz MFZBRXGHJAVISK-QZTJIDSGSA-N 2 2 342.487 3.376 20 0 EGADLP C[C@H](CC(=O)N(C)CCC[N@@H+](C)[C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001755045891 1440740734 /nfs/dbraw/zinc/74/07/34/1440740734.db2.gz MFZBRXGHJAVISK-QZTJIDSGSA-N 2 2 342.487 3.376 20 0 EGADLP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001755241326 1440789510 /nfs/dbraw/zinc/78/95/10/1440789510.db2.gz YRELBYZOVCUSJG-HUUCEWRRSA-N 2 2 336.439 3.168 20 0 EGADLP CC(C)C[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755379038 1440838856 /nfs/dbraw/zinc/83/88/56/1440838856.db2.gz SLUZZLIAKIIRJR-LSDHHAIUSA-N 2 2 342.487 3.295 20 0 EGADLP C[C@H](CC(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1)n1cc[nH+]c1 ZINC001755387952 1440841048 /nfs/dbraw/zinc/84/10/48/1440841048.db2.gz USTZIVVUEJISQI-IAGOWNOFSA-N 2 2 346.519 3.241 20 0 EGADLP CC/C=C\CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755563249 1440875052 /nfs/dbraw/zinc/87/50/52/1440875052.db2.gz GHLHLZCBBWTGCH-XDXAGZTOSA-N 2 2 340.471 3.131 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001755568839 1440876536 /nfs/dbraw/zinc/87/65/36/1440876536.db2.gz OPHDZPNPZVBJAZ-MRXNPFEDSA-N 2 2 348.535 3.340 20 0 EGADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CCC1CCCCCC1 ZINC001755596122 1440882663 /nfs/dbraw/zinc/88/26/63/1440882663.db2.gz BSHUEKDPUGDGFK-QGZVFWFLSA-N 2 2 348.535 3.150 20 0 EGADLP CCCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755737840 1440911174 /nfs/dbraw/zinc/91/11/74/1440911174.db2.gz NSQNKDBSBPAQLI-GOEBONIOSA-N 2 2 328.460 3.241 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001755848884 1440934245 /nfs/dbraw/zinc/93/42/45/1440934245.db2.gz OTPXUWMOOACIRX-INIZCTEOSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001755848884 1440934246 /nfs/dbraw/zinc/93/42/46/1440934246.db2.gz OTPXUWMOOACIRX-INIZCTEOSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C/CC[NH+]1CCC(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001755868904 1440938450 /nfs/dbraw/zinc/93/84/50/1440938450.db2.gz LPXTZVGYKWBCBO-ONEGZZNKSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C/CC[NH+]1CCC(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001755868904 1440938451 /nfs/dbraw/zinc/93/84/51/1440938451.db2.gz LPXTZVGYKWBCBO-ONEGZZNKSA-N 2 2 344.503 3.059 20 0 EGADLP CCc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001164630093 719099972 /nfs/dbraw/zinc/09/99/72/719099972.db2.gz VDRVDFYICSWXEV-MOPGFXCFSA-N 2 2 336.483 3.448 20 0 EGADLP CCc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001164630093 719099975 /nfs/dbraw/zinc/09/99/75/719099975.db2.gz VDRVDFYICSWXEV-MOPGFXCFSA-N 2 2 336.483 3.448 20 0 EGADLP COc1cc2[nH+]c(N(C)CC3CC[NH+](C)CC3)ccc2c(OC)c1 ZINC001165045329 721938846 /nfs/dbraw/zinc/93/88/46/721938846.db2.gz YUPYTBFTDUPMLQ-UHFFFAOYSA-N 2 2 329.444 3.030 20 0 EGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046066 721969931 /nfs/dbraw/zinc/96/99/31/721969931.db2.gz AEWKTYWQSOTFII-KRWDZBQOSA-N 2 2 345.487 3.330 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000368132072 168315040 /nfs/dbraw/zinc/31/50/40/168315040.db2.gz DFKBSPOAEYHXEV-ZDUSSCGKSA-N 2 2 325.334 3.308 20 0 EGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000368132072 168315042 /nfs/dbraw/zinc/31/50/42/168315042.db2.gz DFKBSPOAEYHXEV-ZDUSSCGKSA-N 2 2 325.334 3.308 20 0 EGADLP CC[C@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1[nH+]ccn1C ZINC000368315001 168341924 /nfs/dbraw/zinc/34/19/24/168341924.db2.gz GZWWQDRMWJTGQM-KRWDZBQOSA-N 2 2 342.487 3.112 20 0 EGADLP CC[C@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)c1[nH+]ccn1C ZINC000368315001 168341925 /nfs/dbraw/zinc/34/19/25/168341925.db2.gz GZWWQDRMWJTGQM-KRWDZBQOSA-N 2 2 342.487 3.112 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576991 168376767 /nfs/dbraw/zinc/37/67/67/168376767.db2.gz UBVKYMFPZYBNQU-WBVHZDCISA-N 2 2 343.446 3.402 20 0 EGADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)cn1 ZINC000368576991 168376769 /nfs/dbraw/zinc/37/67/69/168376769.db2.gz UBVKYMFPZYBNQU-WBVHZDCISA-N 2 2 343.446 3.402 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958957 231081712 /nfs/dbraw/zinc/08/17/12/231081712.db2.gz TWQKOAKPIMAUFE-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173958957 231081717 /nfs/dbraw/zinc/08/17/17/231081717.db2.gz TWQKOAKPIMAUFE-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173958957 231081720 /nfs/dbraw/zinc/08/17/20/231081720.db2.gz TWQKOAKPIMAUFE-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173958957 231081723 /nfs/dbraw/zinc/08/17/23/231081723.db2.gz TWQKOAKPIMAUFE-MSOLQXFVSA-N 2 2 331.504 3.437 20 0 EGADLP CC[C@@]1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCC[NH2+]1 ZINC000184156544 529519469 /nfs/dbraw/zinc/51/94/69/529519469.db2.gz RXGCNRACBBSOPF-FQEVSTJZSA-N 2 2 338.455 3.357 20 0 EGADLP CN(CC[N@H+](C)C1CC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000184341997 529902415 /nfs/dbraw/zinc/90/24/15/529902415.db2.gz DDTFAEPSYWDDSD-UHFFFAOYSA-N 2 2 340.427 3.432 20 0 EGADLP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000184341997 529902417 /nfs/dbraw/zinc/90/24/17/529902417.db2.gz DDTFAEPSYWDDSD-UHFFFAOYSA-N 2 2 340.427 3.432 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187037267 236101815 /nfs/dbraw/zinc/10/18/15/236101815.db2.gz RWDCALZIWMEZPI-KRWDZBQOSA-N 2 2 343.446 3.183 20 0 EGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187037267 236101819 /nfs/dbraw/zinc/10/18/19/236101819.db2.gz RWDCALZIWMEZPI-KRWDZBQOSA-N 2 2 343.446 3.183 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187671078 236273097 /nfs/dbraw/zinc/27/30/97/236273097.db2.gz YRXWWBBSSJULLZ-LJQANCHMSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187671078 236273099 /nfs/dbraw/zinc/27/30/99/236273099.db2.gz YRXWWBBSSJULLZ-LJQANCHMSA-N 2 2 338.455 3.422 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000187704728 236280684 /nfs/dbraw/zinc/28/06/84/236280684.db2.gz BLYMLGQPMFYQLY-QAPCUYQASA-N 2 2 330.451 3.492 20 0 EGADLP C[C@@H]1CCCC[N@H+]1CCCN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000187704728 236280687 /nfs/dbraw/zinc/28/06/87/236280687.db2.gz BLYMLGQPMFYQLY-QAPCUYQASA-N 2 2 330.451 3.492 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000037249282 213135947 /nfs/dbraw/zinc/13/59/47/213135947.db2.gz XXAYAPLEWBMWOA-GFCCVEGCSA-N 2 2 338.249 3.395 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000129576610 223071008 /nfs/dbraw/zinc/07/10/08/223071008.db2.gz XXDCVTGZEYEOJW-RLFYNMQTSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000129576610 223071009 /nfs/dbraw/zinc/07/10/09/223071009.db2.gz XXDCVTGZEYEOJW-RLFYNMQTSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000129576388 223070419 /nfs/dbraw/zinc/07/04/19/223070419.db2.gz XXDCVTGZEYEOJW-HDMKZQKVSA-N 2 2 344.434 3.241 20 0 EGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000129576388 223070421 /nfs/dbraw/zinc/07/04/21/223070421.db2.gz XXDCVTGZEYEOJW-HDMKZQKVSA-N 2 2 344.434 3.241 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000132020486 223292784 /nfs/dbraw/zinc/29/27/84/223292784.db2.gz YMJUOPULGMTDQJ-HOCLYGCPSA-N 2 2 332.879 3.216 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000132020486 223292785 /nfs/dbraw/zinc/29/27/85/223292785.db2.gz YMJUOPULGMTDQJ-HOCLYGCPSA-N 2 2 332.879 3.216 20 0 EGADLP COCCN(C)c1ccc(CNc2ccc(C)cc2C[NH+](C)C)c[nH+]1 ZINC000191431391 239107305 /nfs/dbraw/zinc/10/73/05/239107305.db2.gz PHGGBGVGJARWFQ-UHFFFAOYSA-N 2 2 342.487 3.146 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Br)ccc3F)C[C@@H]21 ZINC000230045492 242224187 /nfs/dbraw/zinc/22/41/87/242224187.db2.gz FKDHNUZZVUFWEZ-RIEGTJTDSA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3F)C[C@@H]21 ZINC000230045492 242224192 /nfs/dbraw/zinc/22/41/92/242224192.db2.gz FKDHNUZZVUFWEZ-RIEGTJTDSA-N 2 2 327.241 3.147 20 0 EGADLP CCS[C@H](C)c1noc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000245616009 243139019 /nfs/dbraw/zinc/13/90/19/243139019.db2.gz MQFSWCPYUWMQLN-MCIONIFRSA-N 2 2 335.477 3.163 20 0 EGADLP CCS[C@H](C)c1noc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000245616009 243139023 /nfs/dbraw/zinc/13/90/23/243139023.db2.gz MQFSWCPYUWMQLN-MCIONIFRSA-N 2 2 335.477 3.163 20 0 EGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000266120800 248111403 /nfs/dbraw/zinc/11/14/03/248111403.db2.gz IUHOLROOBHCRPK-OAHLLOKOSA-N 2 2 325.456 3.241 20 0 EGADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1F ZINC000377268011 169004922 /nfs/dbraw/zinc/00/49/22/169004922.db2.gz RUAIQZPYZAXOLD-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1F ZINC000377268011 169004925 /nfs/dbraw/zinc/00/49/25/169004925.db2.gz RUAIQZPYZAXOLD-UHFFFAOYSA-N 3 2 347.522 3.454 20 0 EGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000378617264 169147962 /nfs/dbraw/zinc/14/79/62/169147962.db2.gz MUQJCTGIIZAVDK-YOEHRIQHSA-N 2 2 326.444 3.378 20 0 EGADLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC(F)F)c1 ZINC000092253485 218130289 /nfs/dbraw/zinc/13/02/89/218130289.db2.gz AZEBUXDGFUCEBO-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC(F)F)c1 ZINC000092253485 218130291 /nfs/dbraw/zinc/13/02/91/218130291.db2.gz AZEBUXDGFUCEBO-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(OC(F)F)c1 ZINC000092253485 218130293 /nfs/dbraw/zinc/13/02/93/218130293.db2.gz AZEBUXDGFUCEBO-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(OC(F)F)c1 ZINC000092253485 218130294 /nfs/dbraw/zinc/13/02/94/218130294.db2.gz AZEBUXDGFUCEBO-CYBMUJFWSA-N 2 2 328.403 3.070 20 0 EGADLP C[N@@H+](Cc1ccccc1OCc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC000092253614 218130549 /nfs/dbraw/zinc/13/05/49/218130549.db2.gz XQAZAFOKPGVXRC-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP C[N@H+](Cc1ccccc1OCc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC000092253614 218130551 /nfs/dbraw/zinc/13/05/51/218130551.db2.gz XQAZAFOKPGVXRC-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253614 218130553 /nfs/dbraw/zinc/13/05/53/218130553.db2.gz XQAZAFOKPGVXRC-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP C[NH+](Cc1ccccc1OCc1ccccn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253614 218130555 /nfs/dbraw/zinc/13/05/55/218130555.db2.gz XQAZAFOKPGVXRC-SFHVURJKSA-N 2 2 339.483 3.434 20 0 EGADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cccnc3)CC2)c1 ZINC000092737871 218163834 /nfs/dbraw/zinc/16/38/34/218163834.db2.gz BUZBICISVFLBGN-LJQANCHMSA-N 2 2 338.499 3.253 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)CC1 ZINC000093133344 218196411 /nfs/dbraw/zinc/19/64/11/218196411.db2.gz UPOKPPIKPKLOON-OAHLLOKOSA-N 2 2 342.314 3.205 20 0 EGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)CC1 ZINC000093133344 218196413 /nfs/dbraw/zinc/19/64/13/218196413.db2.gz UPOKPPIKPKLOON-OAHLLOKOSA-N 2 2 342.314 3.205 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3cnccn23)CC[N@@H+]1Cc1ccccc1 ZINC000093318121 218214617 /nfs/dbraw/zinc/21/46/17/218214617.db2.gz JPALCXCIEPTFQN-IEBWSBKVSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3cnccn23)CC[N@H+]1Cc1ccccc1 ZINC000093318121 218214619 /nfs/dbraw/zinc/21/46/19/218214619.db2.gz JPALCXCIEPTFQN-IEBWSBKVSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318121 218214621 /nfs/dbraw/zinc/21/46/21/218214621.db2.gz JPALCXCIEPTFQN-IEBWSBKVSA-N 2 2 349.482 3.214 20 0 EGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3cnccn23)CC[NH+]1Cc1ccccc1 ZINC000093318121 218214623 /nfs/dbraw/zinc/21/46/23/218214623.db2.gz JPALCXCIEPTFQN-IEBWSBKVSA-N 2 2 349.482 3.214 20 0 EGADLP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597862 218234796 /nfs/dbraw/zinc/23/47/96/218234796.db2.gz JAQZQWZKNLGUER-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597862 218234799 /nfs/dbraw/zinc/23/47/99/218234799.db2.gz JAQZQWZKNLGUER-GOSISDBHSA-N 2 2 332.488 3.402 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093564003 218232512 /nfs/dbraw/zinc/23/25/12/218232512.db2.gz XKUGSTULUQCLQE-INIZCTEOSA-N 2 2 348.487 3.163 20 0 EGADLP COc1cc(OC)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(OC)c1 ZINC000093564003 218232513 /nfs/dbraw/zinc/23/25/13/218232513.db2.gz XKUGSTULUQCLQE-INIZCTEOSA-N 2 2 348.487 3.163 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742168 218245132 /nfs/dbraw/zinc/24/51/32/218245132.db2.gz KOQOGWDPMPARDM-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742168 218245133 /nfs/dbraw/zinc/24/51/33/218245133.db2.gz KOQOGWDPMPARDM-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742168 218245135 /nfs/dbraw/zinc/24/51/35/218245135.db2.gz KOQOGWDPMPARDM-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000093742168 218245136 /nfs/dbraw/zinc/24/51/36/218245136.db2.gz KOQOGWDPMPARDM-CQSZACIVSA-N 2 2 342.430 3.460 20 0 EGADLP Clc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000267395970 251019883 /nfs/dbraw/zinc/01/98/83/251019883.db2.gz OJUVYWANXNJIDL-CQSZACIVSA-N 2 2 331.847 3.047 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1)C[NH+]1CCOCC1 ZINC000153359131 224093415 /nfs/dbraw/zinc/09/34/15/224093415.db2.gz ZEHSOGDUQZWNTR-ROUUACIJSA-N 2 2 339.483 3.368 20 0 EGADLP Cc1c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)nnn1-c1ccc(Cl)cc1 ZINC000268793231 252246643 /nfs/dbraw/zinc/24/66/43/252246643.db2.gz DZORGRJLHNOLEW-CHWSQXEVSA-N 2 2 344.850 3.165 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268823229 252273260 /nfs/dbraw/zinc/27/32/60/252273260.db2.gz HMWQSQZSDZNSDL-VHHKXPHXSA-N 2 2 336.479 3.287 20 0 EGADLP C[C@H]1C[C@@H]([NH2+][C@H]2c3ccccc3C[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268823229 252273263 /nfs/dbraw/zinc/27/32/63/252273263.db2.gz HMWQSQZSDZNSDL-VHHKXPHXSA-N 2 2 336.479 3.287 20 0 EGADLP COc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC(F)F ZINC000268811156 252263271 /nfs/dbraw/zinc/26/32/71/252263271.db2.gz KUZDQEAXRXGCEM-RYUDHWBXSA-N 2 2 325.359 3.232 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268873722 252321560 /nfs/dbraw/zinc/32/15/60/252321560.db2.gz JPDZFRGDZSWACP-WBVHZDCISA-N 2 2 342.439 3.209 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000268873722 252321561 /nfs/dbraw/zinc/32/15/61/252321561.db2.gz JPDZFRGDZSWACP-WBVHZDCISA-N 2 2 342.439 3.209 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424471 285059937 /nfs/dbraw/zinc/05/99/37/285059937.db2.gz QYEMUMRYRGEURV-HOTGVXAUSA-N 2 2 330.394 3.033 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000339424471 285059940 /nfs/dbraw/zinc/05/99/40/285059940.db2.gz QYEMUMRYRGEURV-HOTGVXAUSA-N 2 2 330.394 3.033 20 0 EGADLP CN(C(=O)c1cccc(Oc2cc[nH+]cc2)c1)C1CC[NH+](C)CC1 ZINC000112625136 220359144 /nfs/dbraw/zinc/35/91/44/220359144.db2.gz TVUBVZPUONEAGZ-UHFFFAOYSA-N 2 2 325.412 3.040 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1cnn(C)c1 ZINC000163865669 533340234 /nfs/dbraw/zinc/34/02/34/533340234.db2.gz JMVLRCURLFZPFP-CQSZACIVSA-N 2 2 332.879 3.389 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039535 /nfs/dbraw/zinc/03/95/35/141039535.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 3 2 329.532 3.359 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039537 /nfs/dbraw/zinc/03/95/37/141039537.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039539 /nfs/dbraw/zinc/03/95/39/141039539.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 3 2 329.532 3.359 20 0 EGADLP CC[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000246864446 141039541 /nfs/dbraw/zinc/03/95/41/141039541.db2.gz CQLVGNNCXHCXGG-JYRKZWEQSA-N 3 2 329.532 3.359 20 0 EGADLP Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000341255098 141145285 /nfs/dbraw/zinc/14/52/85/141145285.db2.gz GWADXLTUNLAAEE-AWEZNQCLSA-N 2 2 327.428 3.110 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342810259 141149684 /nfs/dbraw/zinc/14/96/84/141149684.db2.gz PYWFEZLRLGWVNV-JXFKEZNVSA-N 2 2 349.482 3.001 20 0 EGADLP CO[C@H](C)C[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C(C)C ZINC000346190423 141177040 /nfs/dbraw/zinc/17/70/40/141177040.db2.gz BADPYBWXFHTBAP-CQSZACIVSA-N 2 2 325.522 3.155 20 0 EGADLP CO[C@H](C)C[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C(C)C ZINC000346190423 141177042 /nfs/dbraw/zinc/17/70/42/141177042.db2.gz BADPYBWXFHTBAP-CQSZACIVSA-N 2 2 325.522 3.155 20 0 EGADLP CO[C@H](C)C[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)C ZINC000346190423 141177045 /nfs/dbraw/zinc/17/70/45/141177045.db2.gz BADPYBWXFHTBAP-CQSZACIVSA-N 2 2 325.522 3.155 20 0 EGADLP CO[C@H](C)C[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)C ZINC000346190423 141177047 /nfs/dbraw/zinc/17/70/47/141177047.db2.gz BADPYBWXFHTBAP-CQSZACIVSA-N 2 2 325.522 3.155 20 0 EGADLP Cc1cc[nH+]cc1CCCNc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000347924471 141218383 /nfs/dbraw/zinc/21/83/83/141218383.db2.gz WVAMHZGDVONZIT-UHFFFAOYSA-N 2 2 339.483 3.391 20 0 EGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC000352955074 141276882 /nfs/dbraw/zinc/27/68/82/141276882.db2.gz HEZSTJVCMYWMFG-MLYOOKFZSA-N 2 2 345.531 3.393 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000677806810 549334468 /nfs/dbraw/zinc/33/44/68/549334468.db2.gz OXKGRWYWNWOJIF-NHCUHLMSSA-N 2 2 338.495 3.233 20 0 EGADLP CC1(C)C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000677806810 549334472 /nfs/dbraw/zinc/33/44/72/549334472.db2.gz OXKGRWYWNWOJIF-NHCUHLMSSA-N 2 2 338.495 3.233 20 0 EGADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000353453571 141299610 /nfs/dbraw/zinc/29/96/10/141299610.db2.gz RVXVZEJRSVKPRK-YOEHRIQHSA-N 2 2 326.444 3.403 20 0 EGADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000353453570 141299664 /nfs/dbraw/zinc/29/96/64/141299664.db2.gz RVXVZEJRSVKPRK-WMLDXEAASA-N 2 2 326.444 3.403 20 0 EGADLP CCN(CC)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c[nH+]1 ZINC000354593495 141312143 /nfs/dbraw/zinc/31/21/43/141312143.db2.gz DNYXEYMAEFYSIU-LJQANCHMSA-N 2 2 346.519 3.055 20 0 EGADLP CCN(Cc1cc(OC)cc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355013061 141322420 /nfs/dbraw/zinc/32/24/20/141322420.db2.gz NCQMLLGXANKNFC-IBGZPJMESA-N 2 2 325.456 3.187 20 0 EGADLP CCN(Cc1cc(OC)cc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355013061 141322423 /nfs/dbraw/zinc/32/24/23/141322423.db2.gz NCQMLLGXANKNFC-IBGZPJMESA-N 2 2 325.456 3.187 20 0 EGADLP CCN(Cc1c[nH+]c2ccccn12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183752952 144078672 /nfs/dbraw/zinc/07/86/72/144078672.db2.gz LSXRIUVLMDYSHZ-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP CCN(Cc1c[nH+]c2ccccn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183752952 144078674 /nfs/dbraw/zinc/07/86/74/144078674.db2.gz LSXRIUVLMDYSHZ-IBGZPJMESA-N 2 2 334.467 3.431 20 0 EGADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185508733 144113929 /nfs/dbraw/zinc/11/39/29/144113929.db2.gz HNRRBLAAWRHNEZ-CGZBRXJRSA-N 2 2 348.453 3.399 20 0 EGADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000185508733 144113931 /nfs/dbraw/zinc/11/39/31/144113931.db2.gz HNRRBLAAWRHNEZ-CGZBRXJRSA-N 2 2 348.453 3.399 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186879332 144145731 /nfs/dbraw/zinc/14/57/31/144145731.db2.gz XYHVXGFCLMXXRE-YLJYHZDGSA-N 2 2 326.488 3.162 20 0 EGADLP C[C@H](CCn1cccn1)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186879332 144145733 /nfs/dbraw/zinc/14/57/33/144145733.db2.gz XYHVXGFCLMXXRE-YLJYHZDGSA-N 2 2 326.488 3.162 20 0 EGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403305 144264422 /nfs/dbraw/zinc/26/44/22/144264422.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 3 2 329.532 3.315 20 0 EGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403305 144264424 /nfs/dbraw/zinc/26/44/24/144264424.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403305 144264426 /nfs/dbraw/zinc/26/44/26/144264426.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 3 2 329.532 3.315 20 0 EGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000351403305 144264427 /nfs/dbraw/zinc/26/44/27/144264427.db2.gz CQCRMFWRNYKIOT-RTWAWAEBSA-N 3 2 329.532 3.315 20 0 EGADLP c1cn(Cc2ccc(NCc3csc(-c4ccccn4)n3)[nH+]c2)c[nH+]1 ZINC000351545176 144276814 /nfs/dbraw/zinc/27/68/14/144276814.db2.gz LNJUPIPHQABJMC-UHFFFAOYSA-N 2 2 348.435 3.457 20 0 EGADLP c1cn(Cc2ccc(NCc3cnn(-c4ccccc4)c3)[nH+]c2)c[nH+]1 ZINC000351551619 144278346 /nfs/dbraw/zinc/27/83/46/144278346.db2.gz YVTJAEDHAQKWLT-UHFFFAOYSA-N 2 2 330.395 3.124 20 0 EGADLP CCN(CC)c1ncc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000351569248 144281250 /nfs/dbraw/zinc/28/12/50/144281250.db2.gz LNFVVYKYSDXSRS-UHFFFAOYSA-N 2 2 342.472 3.241 20 0 EGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603458 144287095 /nfs/dbraw/zinc/28/70/95/144287095.db2.gz AGIUEQWJNPHAPG-ROUUACIJSA-N 2 2 330.497 3.077 20 0 EGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1)C1CC1 ZINC000351603458 144287097 /nfs/dbraw/zinc/28/70/97/144287097.db2.gz AGIUEQWJNPHAPG-ROUUACIJSA-N 2 2 330.497 3.077 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1F ZINC000351608532 144287802 /nfs/dbraw/zinc/28/78/02/144287802.db2.gz NRIMOXJYFYCWPA-CDXJDZJCSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1F ZINC000351608532 144287803 /nfs/dbraw/zinc/28/78/03/144287803.db2.gz NRIMOXJYFYCWPA-CDXJDZJCSA-N 2 2 342.458 3.359 20 0 EGADLP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccccc1 ZINC000120884878 152308165 /nfs/dbraw/zinc/30/81/65/152308165.db2.gz IGYIEJPWZBKRPI-IAGOWNOFSA-N 2 2 348.450 3.228 20 0 EGADLP CCOc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1OC ZINC000120922270 152309583 /nfs/dbraw/zinc/30/95/83/152309583.db2.gz ZBYMWWWBAIADEP-UHFFFAOYSA-N 2 2 341.455 3.120 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000191315990 153186929 /nfs/dbraw/zinc/18/69/29/153186929.db2.gz FQWFQZBSUNZTMJ-PXNSSMCTSA-N 2 2 338.499 3.290 20 0 EGADLP CCN(C)c1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000191315990 153186930 /nfs/dbraw/zinc/18/69/30/153186930.db2.gz FQWFQZBSUNZTMJ-PXNSSMCTSA-N 2 2 338.499 3.290 20 0 EGADLP COCCCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192039420 153239424 /nfs/dbraw/zinc/23/94/24/153239424.db2.gz MRQPOVBJWATYRN-UHFFFAOYSA-N 2 2 343.471 3.198 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285622 154142994 /nfs/dbraw/zinc/14/29/94/154142994.db2.gz QMBJZFCEKOOBNM-MJGOQNOKSA-N 2 2 326.488 3.373 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1nccn1C ZINC000310285622 154142996 /nfs/dbraw/zinc/14/29/96/154142996.db2.gz QMBJZFCEKOOBNM-MJGOQNOKSA-N 2 2 326.488 3.373 20 0 EGADLP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250950 154143220 /nfs/dbraw/zinc/14/32/20/154143220.db2.gz KKCRSRXTLIQTQG-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250950 154143222 /nfs/dbraw/zinc/14/32/22/154143222.db2.gz KKCRSRXTLIQTQG-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250950 154143226 /nfs/dbraw/zinc/14/32/26/154143226.db2.gz KKCRSRXTLIQTQG-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000310250950 154143227 /nfs/dbraw/zinc/14/32/27/154143227.db2.gz KKCRSRXTLIQTQG-OALUTQOASA-N 2 2 325.456 3.245 20 0 EGADLP CC(C)N(C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000336783338 154211841 /nfs/dbraw/zinc/21/18/41/154211841.db2.gz FSAHLJXLBHCXDK-UHFFFAOYSA-N 2 2 339.483 3.279 20 0 EGADLP CC(C)N(C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1)c1ccccc1 ZINC000336783338 154211843 /nfs/dbraw/zinc/21/18/43/154211843.db2.gz FSAHLJXLBHCXDK-UHFFFAOYSA-N 2 2 339.483 3.279 20 0 EGADLP COc1cc(C)c(C[C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)cc1OC ZINC000337358440 154305457 /nfs/dbraw/zinc/30/54/57/154305457.db2.gz BOYXJZFUZDDZFM-QGZVFWFLSA-N 2 2 334.504 3.265 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn2c1 ZINC000341037223 155127258 /nfs/dbraw/zinc/12/72/58/155127258.db2.gz ARCKDSANFDVMPS-PXNSSMCTSA-N 2 2 349.482 3.038 20 0 EGADLP Cc1ccc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn2c1 ZINC000341037223 155127260 /nfs/dbraw/zinc/12/72/60/155127260.db2.gz ARCKDSANFDVMPS-PXNSSMCTSA-N 2 2 349.482 3.038 20 0 EGADLP [NH3+]CC[N@H+](Cc1ccccc1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000346823172 156152119 /nfs/dbraw/zinc/15/21/19/156152119.db2.gz CJDKGNORBVZRTO-OAQYLSRUSA-N 2 2 340.467 3.205 20 0 EGADLP [NH3+]CC[N@@H+](Cc1ccccc1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000346823172 156152122 /nfs/dbraw/zinc/15/21/22/156152122.db2.gz CJDKGNORBVZRTO-OAQYLSRUSA-N 2 2 340.467 3.205 20 0 EGADLP FC(F)(F)c1cccc([C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983912 156230002 /nfs/dbraw/zinc/23/00/02/156230002.db2.gz OEOPLFZJZRIBJV-XJKSGUPXSA-N 2 2 328.378 3.078 20 0 EGADLP FC(F)(F)c1cccc([C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346983912 156230005 /nfs/dbraw/zinc/23/00/05/156230005.db2.gz OEOPLFZJZRIBJV-XJKSGUPXSA-N 2 2 328.378 3.078 20 0 EGADLP Brc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000347004396 156240942 /nfs/dbraw/zinc/24/09/42/156240942.db2.gz BHAVMXLQMANJKC-CQSZACIVSA-N 2 2 346.272 3.324 20 0 EGADLP Brc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000347004396 156240947 /nfs/dbraw/zinc/24/09/47/156240947.db2.gz BHAVMXLQMANJKC-CQSZACIVSA-N 2 2 346.272 3.324 20 0 EGADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[NH+](C)C ZINC000348940938 156294907 /nfs/dbraw/zinc/29/49/07/156294907.db2.gz LJEMJRNDNHKXGG-GOSISDBHSA-N 2 2 328.460 3.287 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(-c2cnn(C)c2)c1 ZINC000349126544 156360924 /nfs/dbraw/zinc/36/09/24/156360924.db2.gz GJXCKNKJVDLEBZ-QGZVFWFLSA-N 2 2 335.455 3.119 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(-c2cnn(C)c2)c1 ZINC000349126544 156360928 /nfs/dbraw/zinc/36/09/28/156360928.db2.gz GJXCKNKJVDLEBZ-QGZVFWFLSA-N 2 2 335.455 3.119 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518437 157152465 /nfs/dbraw/zinc/15/24/65/157152465.db2.gz VYBLAWMZIRVASG-FRFSOERESA-N 2 2 347.484 3.087 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccco2)s1 ZINC000365518437 157152467 /nfs/dbraw/zinc/15/24/67/157152467.db2.gz VYBLAWMZIRVASG-FRFSOERESA-N 2 2 347.484 3.087 20 0 EGADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000125194805 162265864 /nfs/dbraw/zinc/26/58/64/162265864.db2.gz DWSNRWZPPDXCQP-UHFFFAOYSA-N 2 2 340.515 3.464 20 0 EGADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000125194805 162265868 /nfs/dbraw/zinc/26/58/68/162265868.db2.gz DWSNRWZPPDXCQP-UHFFFAOYSA-N 2 2 340.515 3.464 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125902670 162290128 /nfs/dbraw/zinc/29/01/28/162290128.db2.gz VJEFHMBXCLWNCA-RXVVDRJESA-N 2 2 338.499 3.018 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN(C)c1ccccc1 ZINC000125902670 162290130 /nfs/dbraw/zinc/29/01/30/162290130.db2.gz VJEFHMBXCLWNCA-RXVVDRJESA-N 2 2 338.499 3.018 20 0 EGADLP O[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000305110263 163074476 /nfs/dbraw/zinc/07/44/76/163074476.db2.gz CQFKJQFKFOPMDI-MAUKXSAKSA-N 2 2 336.907 3.445 20 0 EGADLP C[NH+](C)Cc1cc(NC(=O)Cc2cn3ccccc3[nH+]2)ccc1Cl ZINC000337260190 163184507 /nfs/dbraw/zinc/18/45/07/163184507.db2.gz WGJLXKUWFXDHON-UHFFFAOYSA-N 2 2 342.830 3.231 20 0 EGADLP CC[NH+](CC)CCC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000338287928 163207971 /nfs/dbraw/zinc/20/79/71/163207971.db2.gz VRQUDPPIPOZNPY-UHFFFAOYSA-N 2 2 326.488 3.089 20 0 EGADLP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000338564208 163275709 /nfs/dbraw/zinc/27/57/09/163275709.db2.gz HACRYXBJVCCGJO-MRXNPFEDSA-N 2 2 343.471 3.398 20 0 EGADLP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000338564208 163275710 /nfs/dbraw/zinc/27/57/10/163275710.db2.gz HACRYXBJVCCGJO-MRXNPFEDSA-N 2 2 343.471 3.398 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000354361634 166009394 /nfs/dbraw/zinc/00/93/94/166009394.db2.gz QUITYXLDCNSLSG-UHFFFAOYSA-N 2 2 344.503 3.360 20 0 EGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000344210646 164128138 /nfs/dbraw/zinc/12/81/38/164128138.db2.gz CSCZFCQAYBPKRC-SFHVURJKSA-N 2 2 346.446 3.268 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296387 164148865 /nfs/dbraw/zinc/14/88/65/164148865.db2.gz MCFNGPTWOVJKJK-HBFSDRIKSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000344296387 164148867 /nfs/dbraw/zinc/14/88/67/164148867.db2.gz MCFNGPTWOVJKJK-HBFSDRIKSA-N 2 2 330.516 3.285 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309496 164151887 /nfs/dbraw/zinc/15/18/87/164151887.db2.gz ZURAKAKZWBNOTE-WSTZPKSXSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@@H](CCO)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCC1 ZINC000344309496 164151889 /nfs/dbraw/zinc/15/18/89/164151889.db2.gz ZURAKAKZWBNOTE-WSTZPKSXSA-N 2 2 345.531 3.070 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@@H+]1C ZINC000344328191 164157878 /nfs/dbraw/zinc/15/78/78/164157878.db2.gz QSCBFUXNCSEHSZ-OXJNMPFZSA-N 2 2 325.456 3.233 20 0 EGADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCC[N@H+]1C ZINC000344328191 164157880 /nfs/dbraw/zinc/15/78/80/164157880.db2.gz QSCBFUXNCSEHSZ-OXJNMPFZSA-N 2 2 325.456 3.233 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344541587 164188546 /nfs/dbraw/zinc/18/85/46/164188546.db2.gz VMCUHUXZCHTTOZ-LJQANCHMSA-N 2 2 330.859 3.067 20 0 EGADLP O[C@@]1(C[NH2+]Cc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541587 164188548 /nfs/dbraw/zinc/18/85/48/164188548.db2.gz VMCUHUXZCHTTOZ-LJQANCHMSA-N 2 2 330.859 3.067 20 0 EGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1nc3c(s1)C[C@H](C)CC3)CCC2 ZINC000345835303 164275454 /nfs/dbraw/zinc/27/54/54/164275454.db2.gz CTBZXPOUDRGMIC-TZMCWYRMSA-N 2 2 330.501 3.440 20 0 EGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000345851616 164279204 /nfs/dbraw/zinc/27/92/04/164279204.db2.gz NLATYHONHXICSF-UHFFFAOYSA-N 2 2 339.487 3.173 20 0 EGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000345851616 164279209 /nfs/dbraw/zinc/27/92/09/164279209.db2.gz NLATYHONHXICSF-UHFFFAOYSA-N 2 2 339.487 3.173 20 0 EGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000345851616 164279211 /nfs/dbraw/zinc/27/92/11/164279211.db2.gz NLATYHONHXICSF-UHFFFAOYSA-N 2 2 339.487 3.173 20 0 EGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000345851616 164279212 /nfs/dbraw/zinc/27/92/12/164279212.db2.gz NLATYHONHXICSF-UHFFFAOYSA-N 2 2 339.487 3.173 20 0 EGADLP C[C@H](C[NH+](C)C)NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000346150562 164349881 /nfs/dbraw/zinc/34/98/81/164349881.db2.gz YQWURMGQHRIDFF-GFCCVEGCSA-N 2 2 333.819 3.207 20 0 EGADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178684 164357824 /nfs/dbraw/zinc/35/78/24/164357824.db2.gz SEBIHUFMNVZVLW-JKSUJKDBSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178684 164357826 /nfs/dbraw/zinc/35/78/26/164357826.db2.gz SEBIHUFMNVZVLW-JKSUJKDBSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178684 164357828 /nfs/dbraw/zinc/35/78/28/164357828.db2.gz SEBIHUFMNVZVLW-JKSUJKDBSA-N 2 2 349.544 3.158 20 0 EGADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCOC4)C3)sc2C1 ZINC000346178684 164357830 /nfs/dbraw/zinc/35/78/30/164357830.db2.gz SEBIHUFMNVZVLW-JKSUJKDBSA-N 2 2 349.544 3.158 20 0 EGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3ncc(Cl)s3)CC2)C[C@H](C)O1 ZINC000351989199 165181678 /nfs/dbraw/zinc/18/16/78/165181678.db2.gz QXIPLIIAGIEPGG-STQMWFEESA-N 2 2 343.924 3.118 20 0 EGADLP Cc1ccc(-c2csc(C[N@@H+](C)C3CC[NH+](CCO)CC3)n2)cc1 ZINC000352024552 165197354 /nfs/dbraw/zinc/19/73/54/165197354.db2.gz HPRRYXLMSMXDKW-UHFFFAOYSA-N 2 2 345.512 3.007 20 0 EGADLP Cc1ccc(-c2csc(C[N@H+](C)C3CC[NH+](CCO)CC3)n2)cc1 ZINC000352024552 165197356 /nfs/dbraw/zinc/19/73/56/165197356.db2.gz HPRRYXLMSMXDKW-UHFFFAOYSA-N 2 2 345.512 3.007 20 0 EGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000352190513 165275720 /nfs/dbraw/zinc/27/57/20/165275720.db2.gz OCXBYSQQTZOYPO-QGZVFWFLSA-N 2 2 330.476 3.018 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000352247422 165306738 /nfs/dbraw/zinc/30/67/38/165306738.db2.gz YKJJUDFRSSBIKI-UHFFFAOYSA-N 2 2 345.390 3.393 20 0 EGADLP C[C@@H](c1ccccc1F)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153916888 287151256 /nfs/dbraw/zinc/15/12/56/287151256.db2.gz VRZWQFIPLRMONL-BZSNNMDCSA-N 2 2 333.495 3.377 20 0 EGADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355124621 166112909 /nfs/dbraw/zinc/11/29/09/166112909.db2.gz QXDUUICTVNIIFY-UYAOXDASSA-N 3 2 330.520 3.152 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208405 166133530 /nfs/dbraw/zinc/13/35/30/166133530.db2.gz HVNWUSPQYDTUDC-OIISXLGYSA-N 2 2 335.517 3.094 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(C2CCC2)s1 ZINC000355208405 166133532 /nfs/dbraw/zinc/13/35/32/166133532.db2.gz HVNWUSPQYDTUDC-OIISXLGYSA-N 2 2 335.517 3.094 20 0 EGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000355681512 166282318 /nfs/dbraw/zinc/28/23/18/166282318.db2.gz ZYBHOQBRVXDDSY-INIZCTEOSA-N 2 2 330.428 3.272 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358992946 167030291 /nfs/dbraw/zinc/03/02/91/167030291.db2.gz WTPORUWNOHTRMG-HNAYVOBHSA-N 2 2 325.456 3.330 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358992946 167030295 /nfs/dbraw/zinc/03/02/95/167030295.db2.gz WTPORUWNOHTRMG-HNAYVOBHSA-N 2 2 325.456 3.330 20 0 EGADLP CO[C@H]1CC[N@H+](CCCSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000359052166 167051059 /nfs/dbraw/zinc/05/10/59/167051059.db2.gz FRPWCSWBFMDLAD-KGLIPLIRSA-N 2 2 328.909 3.260 20 0 EGADLP CO[C@H]1CC[N@@H+](CCCSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000359052166 167051061 /nfs/dbraw/zinc/05/10/61/167051061.db2.gz FRPWCSWBFMDLAD-KGLIPLIRSA-N 2 2 328.909 3.260 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000359067751 167057260 /nfs/dbraw/zinc/05/72/60/167057260.db2.gz KWKAWBQRPOQFOF-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP COc1c(Br)cccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000359067751 167057263 /nfs/dbraw/zinc/05/72/63/167057263.db2.gz KWKAWBQRPOQFOF-UHFFFAOYSA-N 2 2 329.282 3.278 20 0 EGADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000359590434 167202386 /nfs/dbraw/zinc/20/23/86/167202386.db2.gz KONBSFXCDOPHPM-UHFFFAOYSA-N 2 2 346.272 3.475 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc2c(c1)COC2 ZINC000360433916 167327032 /nfs/dbraw/zinc/32/70/32/167327032.db2.gz PVHLPKCDLGKQMG-MRXNPFEDSA-N 2 2 337.467 3.427 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000364946792 168004157 /nfs/dbraw/zinc/00/41/57/168004157.db2.gz GTPRDTPPSQXUPF-GOSISDBHSA-N 2 2 335.455 3.245 20 0 EGADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000364946792 168004159 /nfs/dbraw/zinc/00/41/59/168004159.db2.gz GTPRDTPPSQXUPF-GOSISDBHSA-N 2 2 335.455 3.245 20 0 EGADLP FC(F)(F)COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367415051 168222965 /nfs/dbraw/zinc/22/29/65/168222965.db2.gz JSJQAFLAWDKAQC-UHFFFAOYSA-N 2 2 339.361 3.450 20 0 EGADLP COc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1Cl ZINC000367435131 168225352 /nfs/dbraw/zinc/22/53/52/168225352.db2.gz AVSKAARSEYEEOP-LBPRGKRZSA-N 2 2 343.818 3.175 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(N2CCOC2=O)c1 ZINC000367439241 168226273 /nfs/dbraw/zinc/22/62/73/168226273.db2.gz SLQIQTOQDQBJGX-AWEZNQCLSA-N 2 2 340.427 3.027 20 0 EGADLP OCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1 ZINC000367911572 168283146 /nfs/dbraw/zinc/28/31/46/168283146.db2.gz PLBILPVGUBXCNC-KRWDZBQOSA-N 2 2 342.830 3.134 20 0 EGADLP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000122858949 222172569 /nfs/dbraw/zinc/17/25/69/222172569.db2.gz JFKWTSYEDQZZDH-MAUKXSAKSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000122858949 222172571 /nfs/dbraw/zinc/17/25/71/222172571.db2.gz JFKWTSYEDQZZDH-MAUKXSAKSA-N 2 2 326.444 3.022 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281414 265166473 /nfs/dbraw/zinc/16/64/73/265166473.db2.gz POXXWSWPTKMELU-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281414 265166476 /nfs/dbraw/zinc/16/64/76/265166476.db2.gz POXXWSWPTKMELU-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281414 265166481 /nfs/dbraw/zinc/16/64/81/265166481.db2.gz POXXWSWPTKMELU-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000176281414 265166482 /nfs/dbraw/zinc/16/64/82/265166482.db2.gz POXXWSWPTKMELU-ROUUACIJSA-N 2 2 331.504 3.294 20 0 EGADLP C[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000177357939 265249134 /nfs/dbraw/zinc/24/91/34/265249134.db2.gz ZOKKCWANAYENAK-LAUBAEHRSA-N 2 2 342.458 3.473 20 0 EGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@](C)(Cc3ccccc3)[C@@H](C)O)n2c1 ZINC000191717797 265927103 /nfs/dbraw/zinc/92/71/03/265927103.db2.gz ZYZSXDBEDAOLAO-DYESRHJHSA-N 2 2 337.467 3.362 20 0 EGADLP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000236707593 266212255 /nfs/dbraw/zinc/21/22/55/266212255.db2.gz IKVAZTYBPLBQAI-LJQANCHMSA-N 2 2 343.515 3.071 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269646449 266334019 /nfs/dbraw/zinc/33/40/19/266334019.db2.gz PJFCCWYFSKSVRJ-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269646449 266334024 /nfs/dbraw/zinc/33/40/24/266334024.db2.gz PJFCCWYFSKSVRJ-WMZOPIPTSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1[nH+]ccn1CCCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269726909 266348006 /nfs/dbraw/zinc/34/80/06/266348006.db2.gz WNIPEQRZVOAMNN-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCCN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269726909 266348009 /nfs/dbraw/zinc/34/80/09/266348009.db2.gz WNIPEQRZVOAMNN-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000269726909 266348010 /nfs/dbraw/zinc/34/80/10/266348010.db2.gz WNIPEQRZVOAMNN-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000269726909 266348013 /nfs/dbraw/zinc/34/80/13/266348013.db2.gz WNIPEQRZVOAMNN-SFHVURJKSA-N 2 2 326.488 3.178 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCc2cc[nH+]cc2C)nnn1-c1ccc(C)cc1 ZINC000271523970 266679707 /nfs/dbraw/zinc/67/97/07/266679707.db2.gz PUEGLKDDNFQPIO-INIZCTEOSA-N 2 2 335.455 3.481 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000271546279 266683844 /nfs/dbraw/zinc/68/38/44/266683844.db2.gz UCAAYFLOHAWCDO-FASAQXTFSA-N 2 2 338.442 3.383 20 0 EGADLP CC(C)(O)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000274760513 267282697 /nfs/dbraw/zinc/28/26/97/267282697.db2.gz JZLVPSWPCJXFLA-UHFFFAOYSA-N 2 2 325.456 3.068 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274818900 267291411 /nfs/dbraw/zinc/29/14/11/267291411.db2.gz JGHJMHHYWLSAEW-AOIWGVFYSA-N 2 2 345.531 3.180 20 0 EGADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274818900 267291413 /nfs/dbraw/zinc/29/14/13/267291413.db2.gz JGHJMHHYWLSAEW-AOIWGVFYSA-N 2 2 345.531 3.180 20 0 EGADLP COCCC[NH+]1CCC(Nc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000275499460 267370533 /nfs/dbraw/zinc/37/05/33/267370533.db2.gz MAKDNKLLIJLPCX-UHFFFAOYSA-N 2 2 329.444 3.156 20 0 EGADLP COc1cccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000275650648 267399108 /nfs/dbraw/zinc/39/91/08/267399108.db2.gz WFWMBHCMBDGTFE-OAHLLOKOSA-N 2 2 341.455 3.156 20 0 EGADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc2c(s1)CCC2 ZINC000355126113 274244343 /nfs/dbraw/zinc/24/43/43/274244343.db2.gz TUZVOJWLUFFRFV-CYBMUJFWSA-N 2 2 328.485 3.346 20 0 EGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1cccc(CO)c1 ZINC000270419473 275237000 /nfs/dbraw/zinc/23/70/00/275237000.db2.gz FDBWCUXWRWVNAC-MRXNPFEDSA-N 2 2 334.529 3.191 20 0 EGADLP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C12CCC2 ZINC000271888182 275238848 /nfs/dbraw/zinc/23/88/48/275238848.db2.gz REPBOEHQTZYFOU-MOPGFXCFSA-N 2 2 325.456 3.369 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000278889962 275284838 /nfs/dbraw/zinc/28/48/38/275284838.db2.gz YMQDQRLAOFRUTR-ILXRZTDVSA-N 2 2 334.460 3.370 20 0 EGADLP COC(=O)c1coc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000278889962 275284840 /nfs/dbraw/zinc/28/48/40/275284840.db2.gz YMQDQRLAOFRUTR-ILXRZTDVSA-N 2 2 334.460 3.370 20 0 EGADLP Clc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-n2cncn2)c1 ZINC000279734348 275354610 /nfs/dbraw/zinc/35/46/10/275354610.db2.gz WINWSULVWBVUBL-CQSZACIVSA-N 2 2 342.834 3.023 20 0 EGADLP Clc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-n2cncn2)c1 ZINC000279734348 275354611 /nfs/dbraw/zinc/35/46/11/275354611.db2.gz WINWSULVWBVUBL-CQSZACIVSA-N 2 2 342.834 3.023 20 0 EGADLP Brc1cc2c(s1)CC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000340356580 275368460 /nfs/dbraw/zinc/36/84/60/275368460.db2.gz PZCXNBRYRUHIGG-MWLCHTKSSA-N 2 2 338.274 3.299 20 0 EGADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2cnn(C)c2)c1 ZINC000282852277 275676841 /nfs/dbraw/zinc/67/68/41/275676841.db2.gz SVTGFFKXABWSLL-UHFFFAOYSA-N 2 2 335.455 3.429 20 0 EGADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000285574241 275891017 /nfs/dbraw/zinc/89/10/17/275891017.db2.gz ICUUVHRKRFDIHU-FQEVSTJZSA-N 2 2 336.439 3.250 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000287429442 276119200 /nfs/dbraw/zinc/11/92/00/276119200.db2.gz GLTXKTXGBGRDGU-UHFFFAOYSA-N 2 2 330.407 3.091 20 0 EGADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000287429442 276119202 /nfs/dbraw/zinc/11/92/02/276119202.db2.gz GLTXKTXGBGRDGU-UHFFFAOYSA-N 2 2 330.407 3.091 20 0 EGADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)c1cccc(-n2ccnn2)c1 ZINC000287577956 276135484 /nfs/dbraw/zinc/13/54/84/276135484.db2.gz HEHBFOFSZNZDBV-HNNXBMFYSA-N 2 2 346.438 3.427 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)CCc2[nH]cc[nH+]2)CCCC1)c1ccccc1 ZINC000287799514 276158298 /nfs/dbraw/zinc/15/82/98/276158298.db2.gz ZRWOBVASNMINSP-MRXNPFEDSA-N 2 2 340.471 3.122 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287847347 276163191 /nfs/dbraw/zinc/16/31/91/276163191.db2.gz WOYAYDJZZSCECR-HNNXBMFYSA-N 2 2 346.438 3.276 20 0 EGADLP C[C@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704888 276380873 /nfs/dbraw/zinc/38/08/73/276380873.db2.gz HOHLVYKLQRKROB-FUHWJXTLSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704888 276380874 /nfs/dbraw/zinc/38/08/74/276380874.db2.gz HOHLVYKLQRKROB-FUHWJXTLSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704888 276380876 /nfs/dbraw/zinc/38/08/76/276380876.db2.gz HOHLVYKLQRKROB-FUHWJXTLSA-N 2 2 338.442 3.255 20 0 EGADLP C[C@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1(F)F ZINC000289704888 276380877 /nfs/dbraw/zinc/38/08/77/276380877.db2.gz HOHLVYKLQRKROB-FUHWJXTLSA-N 2 2 338.442 3.255 20 0 EGADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000346127743 277376499 /nfs/dbraw/zinc/37/64/99/277376499.db2.gz JLNFZEDTDCXVEW-QGZVFWFLSA-N 2 2 326.440 3.294 20 0 EGADLP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])C2)c(-c2ccccc2)cc1OC ZINC000346127743 277376500 /nfs/dbraw/zinc/37/65/00/277376500.db2.gz JLNFZEDTDCXVEW-QGZVFWFLSA-N 2 2 326.440 3.294 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687798 278049960 /nfs/dbraw/zinc/04/99/60/278049960.db2.gz KLUCPXADWBRYOH-NHCUHLMSSA-N 2 2 345.531 3.294 20 0 EGADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C(C)C)cc1 ZINC000261687798 278049961 /nfs/dbraw/zinc/04/99/61/278049961.db2.gz KLUCPXADWBRYOH-NHCUHLMSSA-N 2 2 345.531 3.294 20 0 EGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247979745 278880142 /nfs/dbraw/zinc/88/01/42/278880142.db2.gz MFATVAORXPXKEQ-LNLFQRSKSA-N 2 2 332.488 3.298 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245591971 279009988 /nfs/dbraw/zinc/00/99/88/279009988.db2.gz KWJHMGIOZNQNDB-ZIFCJYIRSA-N 2 2 340.471 3.208 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245591971 279009990 /nfs/dbraw/zinc/00/99/90/279009990.db2.gz KWJHMGIOZNQNDB-ZIFCJYIRSA-N 2 2 340.471 3.208 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157361517 280244604 /nfs/dbraw/zinc/24/46/04/280244604.db2.gz YHRVMMCEFXPZLY-OTWHNJEPSA-N 2 2 335.536 3.116 20 0 EGADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157361517 280244605 /nfs/dbraw/zinc/24/46/05/280244605.db2.gz YHRVMMCEFXPZLY-OTWHNJEPSA-N 2 2 335.536 3.116 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000361826952 280290978 /nfs/dbraw/zinc/29/09/78/280290978.db2.gz DPQUJYTWKLNIGC-HOTGVXAUSA-N 2 2 339.361 3.068 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000361826952 280290979 /nfs/dbraw/zinc/29/09/79/280290979.db2.gz DPQUJYTWKLNIGC-HOTGVXAUSA-N 2 2 339.361 3.068 20 0 EGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000361308731 290275296 /nfs/dbraw/zinc/27/52/96/290275296.db2.gz MBFXEHQSWQHISY-SJORKVTESA-N 2 2 349.544 3.218 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000414088081 309060316 /nfs/dbraw/zinc/06/03/16/309060316.db2.gz BPKMWXCDTFLZHG-FUHIMQAGSA-N 2 2 338.499 3.391 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000414088081 309060317 /nfs/dbraw/zinc/06/03/17/309060317.db2.gz BPKMWXCDTFLZHG-FUHIMQAGSA-N 2 2 338.499 3.391 20 0 EGADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414079472 309059657 /nfs/dbraw/zinc/05/96/57/309059657.db2.gz CGEDGLVGAISLLB-IRXDYDNUSA-N 2 2 340.552 3.448 20 0 EGADLP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000414077519 309059675 /nfs/dbraw/zinc/05/96/75/309059675.db2.gz RDAGMEXYMLNZBM-CQSZACIVSA-N 2 2 340.402 3.136 20 0 EGADLP Cc1c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000132101938 307654091 /nfs/dbraw/zinc/65/40/91/307654091.db2.gz JOHJDRNFIADHGX-CYBMUJFWSA-N 2 2 349.910 3.468 20 0 EGADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(OC(F)(F)F)cc1 ZINC000414276256 309070227 /nfs/dbraw/zinc/07/02/27/309070227.db2.gz XVTNHJFDGMGGGW-LLVKDONJSA-N 2 2 342.365 3.236 20 0 EGADLP Cc1cc(Cl)ccc1OCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414304179 309071620 /nfs/dbraw/zinc/07/16/20/309071620.db2.gz LXTGPGRPBYQHBY-UHFFFAOYSA-N 2 2 336.867 3.007 20 0 EGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)n1C ZINC000414333827 309073523 /nfs/dbraw/zinc/07/35/23/309073523.db2.gz TTWOGIMOAWVJCQ-UHFFFAOYSA-N 2 2 328.460 3.097 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414351079 309074505 /nfs/dbraw/zinc/07/45/05/309074505.db2.gz RCWCMTSQBNODHN-PJIJBLCYSA-N 2 2 329.463 3.321 20 0 EGADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414351079 309074506 /nfs/dbraw/zinc/07/45/06/309074506.db2.gz RCWCMTSQBNODHN-PJIJBLCYSA-N 2 2 329.463 3.321 20 0 EGADLP CN(C)c1[nH+]cc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)n1C ZINC000414365829 309075564 /nfs/dbraw/zinc/07/55/64/309075564.db2.gz NGYUVNPSDAVBHK-UHFFFAOYSA-N 2 2 348.454 3.013 20 0 EGADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000414370076 309075857 /nfs/dbraw/zinc/07/58/57/309075857.db2.gz VCCIKGFWELRYOI-UHFFFAOYSA-N 2 2 339.418 3.307 20 0 EGADLP CC[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)Oc1ccccc1Cl ZINC000414372804 309076138 /nfs/dbraw/zinc/07/61/38/309076138.db2.gz XZDMMNKBHVDXAW-AWEZNQCLSA-N 2 2 336.867 3.087 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](C[NH+](C)C)C1 ZINC000292971629 308085546 /nfs/dbraw/zinc/08/55/46/308085546.db2.gz DSFCKIRHYOFDHF-OAHLLOKOSA-N 2 2 341.455 3.108 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989769 308087600 /nfs/dbraw/zinc/08/76/00/308087600.db2.gz NXRFSNCMYZAMAN-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292989769 308087602 /nfs/dbraw/zinc/08/76/02/308087602.db2.gz NXRFSNCMYZAMAN-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292989769 308087604 /nfs/dbraw/zinc/08/76/04/308087604.db2.gz NXRFSNCMYZAMAN-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292989769 308087607 /nfs/dbraw/zinc/08/76/07/308087607.db2.gz NXRFSNCMYZAMAN-FXAWDEMLSA-N 2 2 329.488 3.048 20 0 EGADLP c1csc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)c2nnc[nH]2)c1 ZINC000293239108 308112631 /nfs/dbraw/zinc/11/26/31/308112631.db2.gz BAKNJHWQGAAYNW-INIZCTEOSA-N 2 2 333.505 3.201 20 0 EGADLP CSc1ccc([C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)N(C)C)cc1 ZINC000293262642 308114998 /nfs/dbraw/zinc/11/49/98/308114998.db2.gz BLYGDTUNQCSZOT-GOSISDBHSA-N 2 2 340.496 3.449 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc(O)c3Cl)[nH+]c2)C1 ZINC000293313771 308119531 /nfs/dbraw/zinc/11/95/31/308119531.db2.gz QLVPTAUHLUANRO-HNNXBMFYSA-N 2 2 346.862 3.193 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC(C)C ZINC000293555241 308141278 /nfs/dbraw/zinc/14/12/78/308141278.db2.gz FKTFDGFMPYHWSY-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OC(C)C ZINC000293555241 308141280 /nfs/dbraw/zinc/14/12/80/308141280.db2.gz FKTFDGFMPYHWSY-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OC(C)C ZINC000293555241 308141282 /nfs/dbraw/zinc/14/12/82/308141282.db2.gz FKTFDGFMPYHWSY-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OC(C)C ZINC000293555241 308141283 /nfs/dbraw/zinc/14/12/83/308141283.db2.gz FKTFDGFMPYHWSY-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Cl)c1OC ZINC000293784755 308161772 /nfs/dbraw/zinc/16/17/72/308161772.db2.gz ZLRPZGNHZXUILD-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Cl)c1OC ZINC000293784755 308161773 /nfs/dbraw/zinc/16/17/73/308161773.db2.gz ZLRPZGNHZXUILD-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Cl)c1OC ZINC000293784755 308161774 /nfs/dbraw/zinc/16/17/74/308161774.db2.gz ZLRPZGNHZXUILD-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Cl)c1OC ZINC000293784755 308161775 /nfs/dbraw/zinc/16/17/75/308161775.db2.gz ZLRPZGNHZXUILD-SFHVURJKSA-N 2 2 338.879 3.275 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295199776 308302097 /nfs/dbraw/zinc/30/20/97/308302097.db2.gz YNISARWPJBLQKU-OWCLPIDISA-N 2 2 347.528 3.225 20 0 EGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295199776 308302098 /nfs/dbraw/zinc/30/20/98/308302098.db2.gz YNISARWPJBLQKU-OWCLPIDISA-N 2 2 347.528 3.225 20 0 EGADLP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000295947367 308377798 /nfs/dbraw/zinc/37/77/98/308377798.db2.gz LGFDEPBRJLALTA-ZDUSSCGKSA-N 2 2 327.407 3.387 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H](C[NH3+])C1 ZINC000414766471 309099500 /nfs/dbraw/zinc/09/95/00/309099500.db2.gz HQEJUQZMNNCKTK-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)[C@H](C[NH3+])C1 ZINC000414766471 309099501 /nfs/dbraw/zinc/09/95/01/309099501.db2.gz HQEJUQZMNNCKTK-APWZRJJASA-N 2 2 325.456 3.220 20 0 EGADLP Brc1cncc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000414802125 309102431 /nfs/dbraw/zinc/10/24/31/309102431.db2.gz HVQGNSBGBWGFQL-UHFFFAOYSA-N 2 2 326.282 3.246 20 0 EGADLP [NH3+]C[C@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000414812232 309103183 /nfs/dbraw/zinc/10/31/83/309103183.db2.gz XGRIHGVBTUGDNK-LBPRGKRZSA-N 2 2 337.183 3.295 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000414816200 309103392 /nfs/dbraw/zinc/10/33/92/309103392.db2.gz WPCAMKCFSYIHAJ-MRXNPFEDSA-N 2 2 347.503 3.314 20 0 EGADLP C[NH2+]CC[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000414833487 309104490 /nfs/dbraw/zinc/10/44/90/309104490.db2.gz SFHNMEFNCHHJSY-LBPRGKRZSA-N 2 2 337.261 3.179 20 0 EGADLP COc1ccccc1[C@H](CNc1nc(C)[nH+]c2c1CCCC2)[NH+](C)C ZINC000301588864 308706282 /nfs/dbraw/zinc/70/62/82/308706282.db2.gz WTCIZUXVWDQHDI-SFHVURJKSA-N 2 2 340.471 3.387 20 0 EGADLP Cc1cc2ccccc2[nH+]c1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000301848777 308718156 /nfs/dbraw/zinc/71/81/56/308718156.db2.gz AENOEGAUHARDMD-UHFFFAOYSA-N 2 2 336.439 3.491 20 0 EGADLP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c(SC)cc1OC ZINC000414841548 309104990 /nfs/dbraw/zinc/10/49/90/309104990.db2.gz NKUSABYPMVKSMP-HNNXBMFYSA-N 2 2 338.517 3.423 20 0 EGADLP Cc1ccn2c(CN3CC[NH+](CCc4cccs4)CC3)c[nH+]c2c1 ZINC000350440253 308884481 /nfs/dbraw/zinc/88/44/81/308884481.db2.gz QWARWXWORYNSKO-UHFFFAOYSA-N 2 2 340.496 3.065 20 0 EGADLP CC[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1[nH]cc[nH+]1 ZINC000412279137 308978626 /nfs/dbraw/zinc/97/86/26/308978626.db2.gz XQSNCDPXHJZSBV-KRWDZBQOSA-N 2 2 326.444 3.277 20 0 EGADLP c1csc([C@@H](CNc2cc(NC3CC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000413029272 309012488 /nfs/dbraw/zinc/01/24/88/309012488.db2.gz RYYCXLRMNSZVOL-CQSZACIVSA-N 2 2 329.473 3.361 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414852567 309105610 /nfs/dbraw/zinc/10/56/10/309105610.db2.gz WBOOYBSGMYPWPB-MRXNPFEDSA-N 2 2 332.879 3.043 20 0 EGADLP O=C(Nc1cccc(C[NH2+][C@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1 ZINC000414895680 309107837 /nfs/dbraw/zinc/10/78/37/309107837.db2.gz YOJRGSVUTKAAIJ-SFHVURJKSA-N 2 2 343.858 3.434 20 0 EGADLP Cc1ccc(OCc2nc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)cs2)cc1 ZINC000414928373 309109597 /nfs/dbraw/zinc/10/95/97/309109597.db2.gz AWVCYNSZJXDYSP-GJZGRUSLSA-N 2 2 331.485 3.261 20 0 EGADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414937511 309110182 /nfs/dbraw/zinc/11/01/82/309110182.db2.gz CWTQINVIWUAEOR-HNNXBMFYSA-N 2 2 338.430 3.424 20 0 EGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H](C)C[NH3+])c1 ZINC000414937151 309110238 /nfs/dbraw/zinc/11/02/38/309110238.db2.gz WJHLJWKIUUTVKY-QGZVFWFLSA-N 2 2 334.467 3.344 20 0 EGADLP COC[C@]1(C[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CCC[NH2+]1 ZINC000414944725 309110457 /nfs/dbraw/zinc/11/04/57/309110457.db2.gz OORKVVBLYAAWQH-OAQYLSRUSA-N 2 2 340.467 3.220 20 0 EGADLP Cc1[nH+]cc(CNC[C@@H]2[NH2+]CCc3ccccc32)n1-c1ccccc1 ZINC000414955817 309111259 /nfs/dbraw/zinc/11/12/59/309111259.db2.gz NNXMEIZSAIUYLX-NRFANRHFSA-N 2 2 332.451 3.157 20 0 EGADLP CCCOc1c(Cl)cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000414954447 309111394 /nfs/dbraw/zinc/11/13/94/309111394.db2.gz MXFGKNQVGLFIRW-IUODEOHRSA-N 2 2 326.868 3.368 20 0 EGADLP [NH3+]CCC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000415054398 309116962 /nfs/dbraw/zinc/11/69/62/309116962.db2.gz NKPKHJJEJVBEPS-OAQYLSRUSA-N 3 2 338.499 3.116 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2CC)C[C@@H]1C ZINC000415063985 309117686 /nfs/dbraw/zinc/11/76/86/309117686.db2.gz JNGTYGVBMBYFLL-ITQYTPKQSA-N 2 2 332.488 3.206 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000415065217 309117842 /nfs/dbraw/zinc/11/78/42/309117842.db2.gz MJIOSBIAGJOZMH-SJORKVTESA-N 2 2 331.485 3.347 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc2c1OCCCO2 ZINC000415073535 309118261 /nfs/dbraw/zinc/11/82/61/309118261.db2.gz ZLXRBPFQNVJKMI-GOSISDBHSA-N 2 2 326.440 3.200 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415076518 309118465 /nfs/dbraw/zinc/11/84/65/309118465.db2.gz CSLGMHJYBFAVSL-QFBILLFUSA-N 2 2 326.488 3.128 20 0 EGADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000415077802 309118662 /nfs/dbraw/zinc/11/86/62/309118662.db2.gz FMJNXADWMLGEKA-NVXWUHKLSA-N 3 2 330.451 3.412 20 0 EGADLP C[N@H+](CC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000415112956 309121099 /nfs/dbraw/zinc/12/10/99/309121099.db2.gz TWDOAQJNCYCCHZ-UHFFFAOYSA-N 2 2 326.469 3.050 20 0 EGADLP C[N@@H+](CC[NH3+])Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000415112956 309121100 /nfs/dbraw/zinc/12/11/00/309121100.db2.gz TWDOAQJNCYCCHZ-UHFFFAOYSA-N 2 2 326.469 3.050 20 0 EGADLP [NH3+]C1(C[NH2+][C@@H]2CCc3ccccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126333 309122228 /nfs/dbraw/zinc/12/22/28/309122228.db2.gz GLKLTKBJZTVQLX-JOCHJYFZSA-N 3 2 349.522 3.127 20 0 EGADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415128080 309122407 /nfs/dbraw/zinc/12/24/07/309122407.db2.gz JMVNLEPHKAZXKJ-QUCCMNQESA-N 3 2 329.532 3.396 20 0 EGADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415132782 309122850 /nfs/dbraw/zinc/12/28/50/309122850.db2.gz LZDOJMUGEGIRDD-PMACEKPBSA-N 3 2 329.532 3.394 20 0 EGADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415134835 309122998 /nfs/dbraw/zinc/12/29/98/309122998.db2.gz FFEKJWQAZMULSL-KRWDZBQOSA-N 2 2 341.459 3.116 20 0 EGADLP [NH3+]CC1CCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000415186976 309125453 /nfs/dbraw/zinc/12/54/53/309125453.db2.gz OFDBJCZUVATZIX-UHFFFAOYSA-N 2 2 326.400 3.077 20 0 EGADLP Cc1cc(NC(=O)N(C)CC(C)(C)C[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415426592 309133237 /nfs/dbraw/zinc/13/32/37/309133237.db2.gz ARLDRCIOXVNXSR-HNNXBMFYSA-N 2 2 347.507 3.217 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000417358139 309202860 /nfs/dbraw/zinc/20/28/60/309202860.db2.gz SMPBTPKZZRLPRI-HNNXBMFYSA-N 2 2 332.492 3.305 20 0 EGADLP CCn1c[nH+]cc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000417680375 309217525 /nfs/dbraw/zinc/21/75/25/309217525.db2.gz HGBMNZYPMYNUEB-UHFFFAOYSA-N 2 2 334.467 3.374 20 0 EGADLP CC[N@@H+](Cc1cc(C)nn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417817782 309223865 /nfs/dbraw/zinc/22/38/65/309223865.db2.gz VIWJVUFCLUCBTD-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[N@H+](Cc1cc(C)nn1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417817782 309223866 /nfs/dbraw/zinc/22/38/66/309223866.db2.gz VIWJVUFCLUCBTD-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)nn1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417817782 309223867 /nfs/dbraw/zinc/22/38/67/309223867.db2.gz VIWJVUFCLUCBTD-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP CC[NH+](Cc1cc(C)nn1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417817782 309223868 /nfs/dbraw/zinc/22/38/68/309223868.db2.gz VIWJVUFCLUCBTD-LJQANCHMSA-N 2 2 326.488 3.073 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2COC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000417930463 309228767 /nfs/dbraw/zinc/22/87/67/309228767.db2.gz UJADVINFFAVRQN-AEFFLSMTSA-N 2 2 332.488 3.044 20 0 EGADLP Cc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n(C)n1 ZINC000418063799 309234044 /nfs/dbraw/zinc/23/40/44/309234044.db2.gz HKDKEKOKIHHGMJ-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP Cc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n(C)n1 ZINC000418063799 309234045 /nfs/dbraw/zinc/23/40/45/309234045.db2.gz HKDKEKOKIHHGMJ-UHFFFAOYSA-N 2 2 343.862 3.281 20 0 EGADLP CCn1c[nH+]cc1C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000418113230 309235926 /nfs/dbraw/zinc/23/59/26/309235926.db2.gz JGOVTYZAFRLFQT-OAHLLOKOSA-N 2 2 328.243 3.207 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418268699 309241174 /nfs/dbraw/zinc/24/11/74/309241174.db2.gz XRMFRCNYZKUUNM-RHSMWYFYSA-N 2 2 343.475 3.087 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418369629 309244493 /nfs/dbraw/zinc/24/44/93/309244493.db2.gz UOFJJNUYEOODSH-DLBZAZTESA-N 2 2 347.507 3.047 20 0 EGADLP C[NH2+]C[C@H](C)CNc1cc[nH+]c2cc(F)c(Br)cc12 ZINC000420212913 309277269 /nfs/dbraw/zinc/27/72/69/309277269.db2.gz UKHWQEJYVKNYBL-VIFPVBQESA-N 2 2 326.213 3.404 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420286815 309279489 /nfs/dbraw/zinc/27/94/89/309279489.db2.gz FQSSOICOWKMTBR-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420286815 309279490 /nfs/dbraw/zinc/27/94/90/309279490.db2.gz FQSSOICOWKMTBR-JKSUJKDBSA-N 2 2 339.439 3.087 20 0 EGADLP Cc1cc(C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)n1CC(F)(F)F ZINC000420286912 309279531 /nfs/dbraw/zinc/27/95/31/309279531.db2.gz GYKVIKMMEXQLFR-OAHLLOKOSA-N 2 2 347.425 3.155 20 0 EGADLP Cc1cc(C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(C)n1CC(F)(F)F ZINC000420286912 309279532 /nfs/dbraw/zinc/27/95/32/309279532.db2.gz GYKVIKMMEXQLFR-OAHLLOKOSA-N 2 2 347.425 3.155 20 0 EGADLP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000420289691 309279544 /nfs/dbraw/zinc/27/95/44/309279544.db2.gz KUWWEKUWYFGBPD-MDASCCDHSA-N 2 2 341.430 3.175 20 0 EGADLP C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000420289691 309279545 /nfs/dbraw/zinc/27/95/45/309279545.db2.gz KUWWEKUWYFGBPD-MDASCCDHSA-N 2 2 341.430 3.175 20 0 EGADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300638 309280240 /nfs/dbraw/zinc/28/02/40/309280240.db2.gz VBRYWNHRJYQRIY-XLIONFOSSA-N 2 2 337.467 3.216 20 0 EGADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000420300638 309280241 /nfs/dbraw/zinc/28/02/41/309280241.db2.gz VBRYWNHRJYQRIY-XLIONFOSSA-N 2 2 337.467 3.216 20 0 EGADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)C1(C[NH3+])CCC1 ZINC000420332025 309282894 /nfs/dbraw/zinc/28/28/94/309282894.db2.gz RDVYBAXNGHXXRW-UHFFFAOYSA-N 2 2 349.219 3.364 20 0 EGADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C1(C[NH3+])CCC1 ZINC000420332025 309282895 /nfs/dbraw/zinc/28/28/95/309282895.db2.gz RDVYBAXNGHXXRW-UHFFFAOYSA-N 2 2 349.219 3.364 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420347342 309283750 /nfs/dbraw/zinc/28/37/50/309283750.db2.gz YCDCIUMEDCVUAZ-NRSPTQNISA-N 2 2 349.478 3.359 20 0 EGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420347342 309283751 /nfs/dbraw/zinc/28/37/51/309283751.db2.gz YCDCIUMEDCVUAZ-NRSPTQNISA-N 2 2 349.478 3.359 20 0 EGADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420359943 309284047 /nfs/dbraw/zinc/28/40/47/309284047.db2.gz LGKULWMWBPPECE-HXUWFJFHSA-N 2 2 345.531 3.231 20 0 EGADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)n2)cc1 ZINC000420359730 309284085 /nfs/dbraw/zinc/28/40/85/309284085.db2.gz KGZSACGRZIODKH-HNNXBMFYSA-N 2 2 346.500 3.020 20 0 EGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000420361704 309284217 /nfs/dbraw/zinc/28/42/17/309284217.db2.gz MOBQYCUYAMDCRV-SFHVURJKSA-N 2 2 337.552 3.443 20 0 EGADLP Cc1ccc([C@H]([NH2+]Cc2nc(C(C)(C)[NH3+])no2)c2ccccc2)cc1 ZINC000420363203 309284434 /nfs/dbraw/zinc/28/44/34/309284434.db2.gz BJHOXWOLDIQCBG-GOSISDBHSA-N 2 2 336.439 3.451 20 0 EGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000420379747 309285319 /nfs/dbraw/zinc/28/53/19/309285319.db2.gz YBZAMYKQQKWNME-HSMVNMDESA-N 2 2 348.288 3.473 20 0 EGADLP Fc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420395474 309286272 /nfs/dbraw/zinc/28/62/72/309286272.db2.gz LDHWTCAMHKQCDK-QAPCUYQASA-N 2 2 329.419 3.445 20 0 EGADLP Fc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)co2)c1 ZINC000420395474 309286273 /nfs/dbraw/zinc/28/62/73/309286273.db2.gz LDHWTCAMHKQCDK-QAPCUYQASA-N 2 2 329.419 3.445 20 0 EGADLP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)c1 ZINC000420399043 309286502 /nfs/dbraw/zinc/28/65/02/309286502.db2.gz HMIRRVUKWUJWJU-ZFWWWQNUSA-N 2 2 331.485 3.235 20 0 EGADLP COc1cccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cs2)c1 ZINC000420399043 309286503 /nfs/dbraw/zinc/28/65/03/309286503.db2.gz HMIRRVUKWUJWJU-ZFWWWQNUSA-N 2 2 331.485 3.235 20 0 EGADLP CCc1nc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000420920897 309301037 /nfs/dbraw/zinc/30/10/37/309301037.db2.gz KOGMFKPTAKNMLB-HNNXBMFYSA-N 2 2 345.512 3.389 20 0 EGADLP CCSCC[C@@H](C)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420943444 309303173 /nfs/dbraw/zinc/30/31/73/309303173.db2.gz WSSXBZCSIFGCRD-QGZVFWFLSA-N 2 2 336.545 3.482 20 0 EGADLP CCSCC[C@@H](C)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420943444 309303174 /nfs/dbraw/zinc/30/31/74/309303174.db2.gz WSSXBZCSIFGCRD-QGZVFWFLSA-N 2 2 336.545 3.482 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C)c(F)c3)CC2)CC1 ZINC000421370791 309321312 /nfs/dbraw/zinc/32/13/12/309321312.db2.gz IVWSUSYJRXKNNY-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C)c(F)c3)CC2)CC1 ZINC000421370791 309321313 /nfs/dbraw/zinc/32/13/13/309321313.db2.gz IVWSUSYJRXKNNY-UHFFFAOYSA-N 2 2 333.495 3.126 20 0 EGADLP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394236 309322412 /nfs/dbraw/zinc/32/24/12/309322412.db2.gz XMKRPPDNLXGUJL-CABCVRRESA-N 2 2 329.444 3.134 20 0 EGADLP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394236 309322413 /nfs/dbraw/zinc/32/24/13/309322413.db2.gz XMKRPPDNLXGUJL-CABCVRRESA-N 2 2 329.444 3.134 20 0 EGADLP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394237 309322730 /nfs/dbraw/zinc/32/27/30/309322730.db2.gz XMKRPPDNLXGUJL-GJZGRUSLSA-N 2 2 329.444 3.134 20 0 EGADLP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000421394237 309322731 /nfs/dbraw/zinc/32/27/31/309322731.db2.gz XMKRPPDNLXGUJL-GJZGRUSLSA-N 2 2 329.444 3.134 20 0 EGADLP COC1([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CCCCC1 ZINC000421838607 309342590 /nfs/dbraw/zinc/34/25/90/309342590.db2.gz VHDTVIBWJWNLRU-AEFFLSMTSA-N 2 2 346.519 3.372 20 0 EGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)C3CCCC3)CC2)CC1 ZINC000422018786 309351349 /nfs/dbraw/zinc/35/13/49/309351349.db2.gz KSIYWVNUMRGAAE-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)C3CCCC3)CC2)CC1 ZINC000422018786 309351350 /nfs/dbraw/zinc/35/13/50/309351350.db2.gz KSIYWVNUMRGAAE-UHFFFAOYSA-N 2 2 349.563 3.221 20 0 EGADLP CCC[C@H]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018865 309351387 /nfs/dbraw/zinc/35/13/87/309351387.db2.gz LDARJDZOIPIFGG-AZUAARDMSA-N 2 2 349.563 3.221 20 0 EGADLP CCC[C@H]1CCC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422018865 309351388 /nfs/dbraw/zinc/35/13/88/309351388.db2.gz LDARJDZOIPIFGG-AZUAARDMSA-N 2 2 349.563 3.221 20 0 EGADLP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422199358 309357681 /nfs/dbraw/zinc/35/76/81/309357681.db2.gz DLBDSDNZPDDSDQ-UHFFFAOYSA-N 2 2 332.492 3.106 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422631877 309362987 /nfs/dbraw/zinc/36/29/87/309362987.db2.gz GAAPQUABTXWMEV-ZACQAIPSSA-N 2 2 331.504 3.362 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422631877 309362988 /nfs/dbraw/zinc/36/29/88/309362988.db2.gz GAAPQUABTXWMEV-ZACQAIPSSA-N 2 2 331.504 3.362 20 0 EGADLP CCOc1ccc(Oc2cc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)ccn2)cc1 ZINC000422719185 309364940 /nfs/dbraw/zinc/36/49/40/309364940.db2.gz XUKUFZIPYBFYET-KXBFYZLASA-N 2 2 341.455 3.360 20 0 EGADLP CCc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)[NH+](C)C)cc1 ZINC000422727165 309365287 /nfs/dbraw/zinc/36/52/87/309365287.db2.gz BLGFXCOVVFQDQR-VFNWGFHPSA-N 3 2 340.515 3.365 20 0 EGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C1CCC([NH3+])CC1 ZINC000422727855 309365324 /nfs/dbraw/zinc/36/53/24/309365324.db2.gz IHSDMNUKHFXXOG-MHJFOBGBSA-N 3 2 329.532 3.319 20 0 EGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C1CCC([NH3+])CC1 ZINC000422727855 309365325 /nfs/dbraw/zinc/36/53/25/309365325.db2.gz IHSDMNUKHFXXOG-MHJFOBGBSA-N 3 2 329.532 3.319 20 0 EGADLP [NH3+][C@H]1CCC[C@H]1NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422730947 309365546 /nfs/dbraw/zinc/36/55/46/309365546.db2.gz MWLUOGZXTRXFLS-DLBZAZTESA-N 2 2 342.314 3.427 20 0 EGADLP c1sc(-c2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422753956 309366676 /nfs/dbraw/zinc/36/66/76/309366676.db2.gz FNBNUICIGZSSKZ-FGTMMUONSA-N 2 2 343.496 3.057 20 0 EGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000422788254 309368248 /nfs/dbraw/zinc/36/82/48/309368248.db2.gz QWDXJINGQZZVNW-HNAYVOBHSA-N 3 2 335.923 3.282 20 0 EGADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1OCC(F)(F)F ZINC000422824192 309370441 /nfs/dbraw/zinc/37/04/41/309370441.db2.gz GKQYGJFVVBHUEX-TZMCWYRMSA-N 2 2 346.393 3.257 20 0 EGADLP C[C@H](NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[NH2+]1 ZINC000422851938 309372064 /nfs/dbraw/zinc/37/20/64/309372064.db2.gz XNFUQYPKGMPTNF-IAOVAPTHSA-N 2 2 339.886 3.346 20 0 EGADLP COCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422868661 309372845 /nfs/dbraw/zinc/37/28/45/309372845.db2.gz VHMFYQZNRRLWMK-MOPGFXCFSA-N 2 2 326.440 3.255 20 0 EGADLP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1OC(F)F ZINC000422879175 309373605 /nfs/dbraw/zinc/37/36/05/309373605.db2.gz UWRFQUWNOGMALH-TZMCWYRMSA-N 2 2 328.403 3.307 20 0 EGADLP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)cc2)cc1 ZINC000422926151 309376359 /nfs/dbraw/zinc/37/63/59/309376359.db2.gz WJPZCDYJOZXMRZ-OXQOHEQNSA-N 2 2 340.467 3.219 20 0 EGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000422958694 309378242 /nfs/dbraw/zinc/37/82/42/309378242.db2.gz YRTHTAOEYSGJMJ-VXGBXAGGSA-N 2 2 329.271 3.339 20 0 EGADLP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000422975067 309379195 /nfs/dbraw/zinc/37/91/95/309379195.db2.gz SGKKOTFXQMTPDY-MOPGFXCFSA-N 2 2 325.456 3.452 20 0 EGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065469 309384158 /nfs/dbraw/zinc/38/41/58/309384158.db2.gz UMYHPLUMRLUANL-GXRSIYKFSA-N 3 2 341.543 3.407 20 0 EGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000423065469 309384159 /nfs/dbraw/zinc/38/41/59/309384159.db2.gz UMYHPLUMRLUANL-GXRSIYKFSA-N 3 2 341.543 3.407 20 0 EGADLP Fc1cc(-c2ccco2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423083429 309385059 /nfs/dbraw/zinc/38/50/59/309385059.db2.gz GBXIADMRWUOMIQ-QRQLOZEOSA-N 2 2 344.430 3.332 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000423130849 309387364 /nfs/dbraw/zinc/38/73/64/309387364.db2.gz SGRKUPYGDYWGQQ-FVJLSDCUSA-N 3 2 338.499 3.162 20 0 EGADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423130849 309387365 /nfs/dbraw/zinc/38/73/65/309387365.db2.gz SGRKUPYGDYWGQQ-FVJLSDCUSA-N 3 2 338.499 3.162 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423196695 309390036 /nfs/dbraw/zinc/39/00/36/309390036.db2.gz VYCVYOOQXUZKHV-TZMCWYRMSA-N 2 2 325.250 3.004 20 0 EGADLP COc1ccc(C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccc(OC)cc2)cc1 ZINC000423197577 309390166 /nfs/dbraw/zinc/39/01/66/309390166.db2.gz ZXGARCLWDONDTP-WIYYLYMNSA-N 2 2 340.467 3.329 20 0 EGADLP Fc1cccc2c1SCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232109 309391721 /nfs/dbraw/zinc/39/17/21/309391721.db2.gz MJWCSCRVWLPCPM-INIZCTEOSA-N 2 2 344.459 3.279 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H]1C ZINC000423234291 309391802 /nfs/dbraw/zinc/39/18/02/309391802.db2.gz FMWNAAXATWKUHI-FCLVOEFKSA-N 2 2 332.488 3.377 20 0 EGADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H]1C ZINC000423234292 309391848 /nfs/dbraw/zinc/39/18/48/309391848.db2.gz FMWNAAXATWKUHI-FDPIWHGQSA-N 2 2 332.488 3.377 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423240431 309392013 /nfs/dbraw/zinc/39/20/13/309392013.db2.gz TZHONWJTLSFVOY-BHYGNILZSA-N 2 2 336.451 3.176 20 0 EGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423266915 309393175 /nfs/dbraw/zinc/39/31/75/309393175.db2.gz DYIDBFBCFAGXPI-UONOGXRCSA-N 2 2 327.266 3.236 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423268549 309393218 /nfs/dbraw/zinc/39/32/18/309393218.db2.gz UUBIGEZXTBPFDF-IOMROCGXSA-N 3 2 329.532 3.394 20 0 EGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423268549 309393219 /nfs/dbraw/zinc/39/32/19/309393219.db2.gz UUBIGEZXTBPFDF-IOMROCGXSA-N 3 2 329.532 3.394 20 0 EGADLP CCC[NH2+]CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423312627 309394770 /nfs/dbraw/zinc/39/47/70/309394770.db2.gz SEPYKMOKOXRTRX-AWEZNQCLSA-N 2 2 327.266 3.252 20 0 EGADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000423311537 309394829 /nfs/dbraw/zinc/39/48/29/309394829.db2.gz BWNNSQXHZXKUNG-MRXNPFEDSA-N 2 2 328.456 3.249 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)CC[NH2+]1 ZINC000423365806 309397269 /nfs/dbraw/zinc/39/72/69/309397269.db2.gz BWLYEJPZEHAMEH-BFVZDQMLSA-N 2 2 327.241 3.306 20 0 EGADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423391044 309398327 /nfs/dbraw/zinc/39/83/27/309398327.db2.gz PBNSCBYBNPPMSW-RBUKOAKNSA-N 2 2 341.503 3.086 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423399412 309398518 /nfs/dbraw/zinc/39/85/18/309398518.db2.gz PMEPGCJKRCMBJQ-DNVCBOLYSA-N 2 2 327.472 3.076 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CCC[NH2+]1 ZINC000423409772 309399123 /nfs/dbraw/zinc/39/91/23/309399123.db2.gz CEOGTLGPMHGCCG-ICSRJNTNSA-N 2 2 327.472 3.212 20 0 EGADLP COC[C@]1(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCC[NH2+]1 ZINC000423415095 309399209 /nfs/dbraw/zinc/39/92/09/309399209.db2.gz OLCUCQFHLLAHQN-WOJBJXKFSA-N 2 2 328.431 3.273 20 0 EGADLP COC[C@@]1(C[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CCC[NH2+]1 ZINC000423413225 309399232 /nfs/dbraw/zinc/39/92/32/309399232.db2.gz JULPRMNMIJJFGS-WMZOPIPTSA-N 2 2 338.879 3.220 20 0 EGADLP Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423500034 309403121 /nfs/dbraw/zinc/40/31/21/309403121.db2.gz CSFRWRGTIUBKFV-GXSJLCMTSA-N 2 2 335.300 3.400 20 0 EGADLP Cc1cc(F)c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(F)c1 ZINC000424162740 309431594 /nfs/dbraw/zinc/43/15/94/309431594.db2.gz TZGOWDNILFCTDK-HNNXBMFYSA-N 2 2 346.425 3.421 20 0 EGADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccnc2)c(F)c1 ZINC000427869398 309537477 /nfs/dbraw/zinc/53/74/77/309537477.db2.gz WJAALWOWISDUJP-BEFAXECRSA-N 2 2 340.377 3.250 20 0 EGADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000437118968 309787052 /nfs/dbraw/zinc/78/70/52/309787052.db2.gz XUJFAVWCDDDNGJ-AWEZNQCLSA-N 2 2 337.895 3.439 20 0 EGADLP Cn1c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)[nH+]c2cccc(F)c21 ZINC000443404531 309900124 /nfs/dbraw/zinc/90/01/24/309900124.db2.gz GIQNIQUCHSYKSO-INIZCTEOSA-N 2 2 342.418 3.366 20 0 EGADLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCSC1 ZINC000448364382 310002918 /nfs/dbraw/zinc/00/29/18/310002918.db2.gz UAYZZFXEBWEJSA-AWEZNQCLSA-N 2 2 337.514 3.278 20 0 EGADLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCCSC1 ZINC000448364382 310002919 /nfs/dbraw/zinc/00/29/19/310002919.db2.gz UAYZZFXEBWEJSA-AWEZNQCLSA-N 2 2 337.514 3.278 20 0 EGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)C[C@@H](C)O1 ZINC000449070296 310034548 /nfs/dbraw/zinc/03/45/48/310034548.db2.gz JPFYNPFGOUPMBV-JMSVASOKSA-N 2 2 342.405 3.180 20 0 EGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)CCOCC1)c1ccccc1 ZINC000449153107 310040880 /nfs/dbraw/zinc/04/08/80/310040880.db2.gz CDXIGDIWYBIRQG-VXNCWWDNSA-N 2 2 332.488 3.042 20 0 EGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc4ccoc43)[nH+]c2)C1 ZINC000449211229 310044910 /nfs/dbraw/zinc/04/49/10/310044910.db2.gz RSICREMGYMYELY-SFHVURJKSA-N 2 2 336.439 3.002 20 0 EGADLP CSCC1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000449212822 310044962 /nfs/dbraw/zinc/04/49/62/310044962.db2.gz VNBLEKYHVPXCDD-GHBBCFCZSA-N 2 2 348.556 3.133 20 0 EGADLP CSCC1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000449212822 310044963 /nfs/dbraw/zinc/04/49/63/310044963.db2.gz VNBLEKYHVPXCDD-GHBBCFCZSA-N 2 2 348.556 3.133 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281785 310049744 /nfs/dbraw/zinc/04/97/44/310049744.db2.gz FBHAMZCDQLGGSJ-DOMZBBRYSA-N 2 2 342.405 3.182 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCCO1 ZINC000449281785 310049745 /nfs/dbraw/zinc/04/97/45/310049745.db2.gz FBHAMZCDQLGGSJ-DOMZBBRYSA-N 2 2 342.405 3.182 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387539 310057934 /nfs/dbraw/zinc/05/79/34/310057934.db2.gz LUZQQBXJSQJZPL-ZIAGYGMSSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1C(F)(F)F ZINC000449387539 310057935 /nfs/dbraw/zinc/05/79/35/310057935.db2.gz LUZQQBXJSQJZPL-ZIAGYGMSSA-N 2 2 330.394 3.203 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385148 310058001 /nfs/dbraw/zinc/05/80/01/310058001.db2.gz DXVKXOUHHYOPNL-LBDPXKHJSA-N 2 2 336.442 3.180 20 0 EGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CCC(C(F)(F)F)CC1 ZINC000449385148 310058002 /nfs/dbraw/zinc/05/80/02/310058002.db2.gz DXVKXOUHHYOPNL-LBDPXKHJSA-N 2 2 336.442 3.180 20 0 EGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000449385266 310058091 /nfs/dbraw/zinc/05/80/91/310058091.db2.gz FBOQDSVDLWDKGO-CEXWTWQISA-N 2 2 336.907 3.413 20 0 EGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000449385266 310058092 /nfs/dbraw/zinc/05/80/92/310058092.db2.gz FBOQDSVDLWDKGO-CEXWTWQISA-N 2 2 336.907 3.413 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449472521 310064938 /nfs/dbraw/zinc/06/49/38/310064938.db2.gz ARKFNHNYEXIODN-CQSZACIVSA-N 2 2 334.426 3.342 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)cc1Cl)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449481950 310065658 /nfs/dbraw/zinc/06/56/58/310065658.db2.gz WVRSVDFJLKYVDM-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP C[C@H]([NH2+]Cc1nn(C)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449481950 310065659 /nfs/dbraw/zinc/06/56/59/310065659.db2.gz WVRSVDFJLKYVDM-HOCLYGCPSA-N 2 2 332.879 3.074 20 0 EGADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555477 310071531 /nfs/dbraw/zinc/07/15/31/310071531.db2.gz QJZMLKYAUHKXNU-FUHIMQAGSA-N 2 2 325.456 3.164 20 0 EGADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1-c1ccccc1 ZINC000449555477 310071532 /nfs/dbraw/zinc/07/15/32/310071532.db2.gz QJZMLKYAUHKXNU-FUHIMQAGSA-N 2 2 325.456 3.164 20 0 EGADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000449641984 310076898 /nfs/dbraw/zinc/07/68/98/310076898.db2.gz FNILGYVQDPNXAM-GDBMZVCRSA-N 2 2 325.412 3.121 20 0 EGADLP Cc1ccc(CCC[NH2+][C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c[nH+]1 ZINC000449645323 310077235 /nfs/dbraw/zinc/07/72/35/310077235.db2.gz JQCRKFYQDDIRNO-IRXDYDNUSA-N 2 2 337.467 3.279 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(Cl)c(OC)c3)CC2)c1 ZINC000450359626 310117748 /nfs/dbraw/zinc/11/77/48/310117748.db2.gz XFDKKQNRHMCKEW-UHFFFAOYSA-N 2 2 347.846 3.074 20 0 EGADLP c1cn(CCc2ccccc2)nc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000450579377 310131092 /nfs/dbraw/zinc/13/10/92/310131092.db2.gz JZAYPHUJSWOUGU-UHFFFAOYSA-N 2 2 335.455 3.229 20 0 EGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000450769942 310141785 /nfs/dbraw/zinc/14/17/85/310141785.db2.gz YVVCISBQSNMQDC-HOCLYGCPSA-N 2 2 346.441 3.436 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833631 310144875 /nfs/dbraw/zinc/14/48/75/310144875.db2.gz KLZSVKBCBYHYLQ-SFTDATJTSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833631 310144876 /nfs/dbraw/zinc/14/48/76/310144876.db2.gz KLZSVKBCBYHYLQ-SFTDATJTSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833631 310144877 /nfs/dbraw/zinc/14/48/77/310144877.db2.gz KLZSVKBCBYHYLQ-SFTDATJTSA-N 2 2 330.516 3.319 20 0 EGADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000450833631 310144878 /nfs/dbraw/zinc/14/48/78/310144878.db2.gz KLZSVKBCBYHYLQ-SFTDATJTSA-N 2 2 330.516 3.319 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450861203 310146473 /nfs/dbraw/zinc/14/64/73/310146473.db2.gz YHIUBNWAVDLUCK-UHFFFAOYSA-N 2 2 343.397 3.117 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccn(CC(F)(F)F)n1 ZINC000450861203 310146474 /nfs/dbraw/zinc/14/64/74/310146474.db2.gz YHIUBNWAVDLUCK-UHFFFAOYSA-N 2 2 343.397 3.117 20 0 EGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646045 310191152 /nfs/dbraw/zinc/19/11/52/310191152.db2.gz CZIQRKXMXHUDQH-UXHICEINSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646045 310191153 /nfs/dbraw/zinc/19/11/53/310191153.db2.gz CZIQRKXMXHUDQH-UXHICEINSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646045 310191154 /nfs/dbraw/zinc/19/11/54/310191154.db2.gz CZIQRKXMXHUDQH-UXHICEINSA-N 2 2 346.540 3.105 20 0 EGADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCSC[C@H]3C3CC3)C2)cc1 ZINC000451646045 310191155 /nfs/dbraw/zinc/19/11/55/310191155.db2.gz CZIQRKXMXHUDQH-UXHICEINSA-N 2 2 346.540 3.105 20 0 EGADLP CC1CCC(O)(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000452120409 310213440 /nfs/dbraw/zinc/21/34/40/310213440.db2.gz RIXHKHPZXBQGHD-UHFFFAOYSA-N 2 2 336.442 3.276 20 0 EGADLP CC1CCC(O)(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000452120409 310213441 /nfs/dbraw/zinc/21/34/41/310213441.db2.gz RIXHKHPZXBQGHD-UHFFFAOYSA-N 2 2 336.442 3.276 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125657 310213664 /nfs/dbraw/zinc/21/36/64/310213664.db2.gz YUPXPWRKZSBCDY-UHFFFAOYSA-N 3 2 346.441 3.320 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125657 310213665 /nfs/dbraw/zinc/21/36/65/310213665.db2.gz YUPXPWRKZSBCDY-UHFFFAOYSA-N 3 2 346.441 3.320 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287202 310269181 /nfs/dbraw/zinc/26/91/81/310269181.db2.gz PTVUSPDBPFHLEG-CSMYWGQOSA-N 2 2 342.405 3.201 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000453287202 310269182 /nfs/dbraw/zinc/26/91/82/310269182.db2.gz PTVUSPDBPFHLEG-CSMYWGQOSA-N 2 2 342.405 3.201 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)n1-c1ccccc1 ZINC000453643425 310286344 /nfs/dbraw/zinc/28/63/44/310286344.db2.gz ZPYQWCIIBPOOHZ-FQEVSTJZSA-N 2 2 349.478 3.491 20 0 EGADLP Cc1cc(C)c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c[nH+]1 ZINC000454266427 310300417 /nfs/dbraw/zinc/30/04/17/310300417.db2.gz NHZWBYJFGLFWFN-LJQANCHMSA-N 2 2 346.519 3.254 20 0 EGADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000454373939 310306067 /nfs/dbraw/zinc/30/60/67/310306067.db2.gz RNMDEMZPAVLBHS-JYJNAYRXSA-N 2 2 349.523 3.020 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000455476229 310362580 /nfs/dbraw/zinc/36/25/80/310362580.db2.gz SPRNBMQUHABUEN-MRXNPFEDSA-N 2 2 349.523 3.021 20 0 EGADLP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000459660588 310566955 /nfs/dbraw/zinc/56/69/55/310566955.db2.gz UYLBKYJISHAFID-AZUAARDMSA-N 2 2 325.431 3.331 20 0 EGADLP CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000462365488 310598724 /nfs/dbraw/zinc/59/87/24/310598724.db2.gz LRXBRONQSJDBIG-UYAOXDASSA-N 2 2 346.515 3.456 20 0 EGADLP CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000479071325 310868503 /nfs/dbraw/zinc/86/85/03/310868503.db2.gz RAXDAEPMQSECSF-RDTXWAMCSA-N 2 2 326.431 3.220 20 0 EGADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000479285681 310871935 /nfs/dbraw/zinc/87/19/35/310871935.db2.gz QCFRWDVBUHEQJX-MLGOLLRUSA-N 2 2 325.294 3.310 20 0 EGADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[C@@H]1CCOC1 ZINC000484175495 310962832 /nfs/dbraw/zinc/96/28/32/310962832.db2.gz KGZXTVHWTUTRGC-RLLQIKCJSA-N 2 2 346.515 3.291 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488521031 311069462 /nfs/dbraw/zinc/06/94/62/311069462.db2.gz XFTSTXFPNYYPFM-AWEZNQCLSA-N 2 2 326.419 3.495 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000488521031 311069463 /nfs/dbraw/zinc/06/94/63/311069463.db2.gz XFTSTXFPNYYPFM-AWEZNQCLSA-N 2 2 326.419 3.495 20 0 EGADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000491999415 311207071 /nfs/dbraw/zinc/20/70/71/311207071.db2.gz BEZOTNXXJOGPAE-FPLPWBNLSA-N 2 2 332.835 3.270 20 0 EGADLP CC(C)[C@@H](CSc1ccccc1)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000493157105 311335479 /nfs/dbraw/zinc/33/54/79/311335479.db2.gz YCWXTDVJROUELN-IEBWSBKVSA-N 2 2 336.545 3.361 20 0 EGADLP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000495457715 311566225 /nfs/dbraw/zinc/56/62/25/311566225.db2.gz BDHWSBPDEIHEMD-LJQANCHMSA-N 2 2 348.491 3.236 20 0 EGADLP CCC[NH+]1CCC(Nc2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000496738913 311757820 /nfs/dbraw/zinc/75/78/20/311757820.db2.gz REOYNUTYUSPKAX-UHFFFAOYSA-N 2 2 341.455 3.120 20 0 EGADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cccs1 ZINC000509295520 312113434 /nfs/dbraw/zinc/11/34/34/312113434.db2.gz WKXARQVNFPHGNK-UHFFFAOYSA-N 2 2 329.513 3.392 20 0 EGADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cccs1 ZINC000509295520 312113436 /nfs/dbraw/zinc/11/34/36/312113436.db2.gz WKXARQVNFPHGNK-UHFFFAOYSA-N 2 2 329.513 3.392 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CCC[N@@H+](C4CCCC4)CC3)n2c1 ZINC000512556473 312189301 /nfs/dbraw/zinc/18/93/01/312189301.db2.gz DAZSIUOWGSGIFQ-UHFFFAOYSA-N 2 2 332.879 3.438 20 0 EGADLP Clc1ccc2[nH+]cc(CN3CCC[N@H+](C4CCCC4)CC3)n2c1 ZINC000512556473 312189303 /nfs/dbraw/zinc/18/93/03/312189303.db2.gz DAZSIUOWGSGIFQ-UHFFFAOYSA-N 2 2 332.879 3.438 20 0 EGADLP CC1CC[NH+](C[C@H](O)C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000513454659 312210866 /nfs/dbraw/zinc/21/08/66/312210866.db2.gz HDNTVFYNXDAQNR-OAQYLSRUSA-N 2 2 338.495 3.458 20 0 EGADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000515373124 312279587 /nfs/dbraw/zinc/27/95/87/312279587.db2.gz HKEFBCOFMRUOPW-UHFFFAOYSA-N 2 2 341.484 3.404 20 0 EGADLP COCc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)s1 ZINC000516562080 312329717 /nfs/dbraw/zinc/32/97/17/312329717.db2.gz LUQQGNBOJFHRSY-GOEBONIOSA-N 2 2 345.512 3.434 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N(CC[NH+]3CCCC3)c3ccccc3)ccn12 ZINC000516784210 312342098 /nfs/dbraw/zinc/34/20/98/312342098.db2.gz PLNQNZIXWHRGDG-UHFFFAOYSA-N 2 2 348.450 3.385 20 0 EGADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000516914608 312350449 /nfs/dbraw/zinc/35/04/49/312350449.db2.gz SASCYMKKABELDN-QGZVFWFLSA-N 2 2 340.427 3.384 20 0 EGADLP Cc1[nH]c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c[nH+]1 ZINC000520307094 312500385 /nfs/dbraw/zinc/50/03/85/312500385.db2.gz WHSBCVCRJBAKRJ-UHFFFAOYSA-N 2 2 326.444 3.024 20 0 EGADLP CCCCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000520955794 312525668 /nfs/dbraw/zinc/52/56/68/312525668.db2.gz SXZSLGZXNOKLAC-ROUUACIJSA-N 2 2 334.504 3.454 20 0 EGADLP COc1ccc([C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)c2[nH+]ccn2C)cc1 ZINC000521609751 312552497 /nfs/dbraw/zinc/55/24/97/312552497.db2.gz LKWSMOYSGVMLBT-AQNXPRMDSA-N 2 2 348.450 3.253 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC(F)(F)C[C@@H]3C)c2cc1C ZINC000528771639 313169366 /nfs/dbraw/zinc/16/93/66/313169366.db2.gz YSYGRNIVSPERRA-LSDHHAIUSA-N 2 2 337.414 3.134 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC(F)(F)C[C@@H]3C)c2cc1C ZINC000528771639 313169367 /nfs/dbraw/zinc/16/93/67/313169367.db2.gz YSYGRNIVSPERRA-LSDHHAIUSA-N 2 2 337.414 3.134 20 0 EGADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000529721547 313398320 /nfs/dbraw/zinc/39/83/20/313398320.db2.gz YXMYGWQEBGCXTF-IBGZPJMESA-N 2 2 338.455 3.009 20 0 EGADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000529721547 313398324 /nfs/dbraw/zinc/39/83/24/313398324.db2.gz YXMYGWQEBGCXTF-IBGZPJMESA-N 2 2 338.455 3.009 20 0 EGADLP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)cc1Br ZINC000530224771 313500686 /nfs/dbraw/zinc/50/06/86/313500686.db2.gz YJACGIYNMRWUMQ-ZACCUICWSA-N 2 2 331.204 3.100 20 0 EGADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000535405883 314044619 /nfs/dbraw/zinc/04/46/19/314044619.db2.gz PEYZVRWJZOHHIY-INIZCTEOSA-N 2 2 344.528 3.293 20 0 EGADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000535405883 314044622 /nfs/dbraw/zinc/04/46/22/314044622.db2.gz PEYZVRWJZOHHIY-INIZCTEOSA-N 2 2 344.528 3.293 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041733 314090408 /nfs/dbraw/zinc/09/04/08/314090408.db2.gz KPONZCJUKJKTCF-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041733 314090412 /nfs/dbraw/zinc/09/04/12/314090412.db2.gz KPONZCJUKJKTCF-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041733 314090413 /nfs/dbraw/zinc/09/04/13/314090413.db2.gz KPONZCJUKJKTCF-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2c(C)cccc2Cl)C[C@@H]1C ZINC000536041733 314090417 /nfs/dbraw/zinc/09/04/17/314090417.db2.gz KPONZCJUKJKTCF-LSDHHAIUSA-N 2 2 337.895 3.392 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870719 314151583 /nfs/dbraw/zinc/15/15/83/314151583.db2.gz PLASNRKRKVANBX-MLGOLLRUSA-N 2 2 346.862 3.005 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000536870719 314151585 /nfs/dbraw/zinc/15/15/85/314151585.db2.gz PLASNRKRKVANBX-MLGOLLRUSA-N 2 2 346.862 3.005 20 0 EGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992133 314222507 /nfs/dbraw/zinc/22/25/07/314222507.db2.gz YESFPQDGYHHCIZ-FZMZJTMJSA-N 2 2 329.271 3.445 20 0 EGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1cccc(Cl)c1Cl ZINC000537992133 314222509 /nfs/dbraw/zinc/22/25/09/314222509.db2.gz YESFPQDGYHHCIZ-FZMZJTMJSA-N 2 2 329.271 3.445 20 0 EGADLP CC[N@H+](C)[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1 ZINC000538652088 314261126 /nfs/dbraw/zinc/26/11/26/314261126.db2.gz KRXBWXHGVYGYKN-LJQANCHMSA-N 2 2 348.450 3.386 20 0 EGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1 ZINC000538652088 314261129 /nfs/dbraw/zinc/26/11/29/314261129.db2.gz KRXBWXHGVYGYKN-LJQANCHMSA-N 2 2 348.450 3.386 20 0 EGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722670 314269799 /nfs/dbraw/zinc/26/97/99/314269799.db2.gz FUEYYBUMIZRHOM-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722670 314269802 /nfs/dbraw/zinc/26/98/02/314269802.db2.gz FUEYYBUMIZRHOM-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722670 314269805 /nfs/dbraw/zinc/26/98/05/314269805.db2.gz FUEYYBUMIZRHOM-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000538722670 314269807 /nfs/dbraw/zinc/26/98/07/314269807.db2.gz FUEYYBUMIZRHOM-JKSUJKDBSA-N 2 2 332.488 3.182 20 0 EGADLP c1csc(CCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000539828377 314343279 /nfs/dbraw/zinc/34/32/79/314343279.db2.gz GGNIRLUWLJXAEM-UHFFFAOYSA-N 2 2 336.424 3.317 20 0 EGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000540494309 314384739 /nfs/dbraw/zinc/38/47/39/314384739.db2.gz VRJQYZYOJGEWFB-UXHICEINSA-N 2 2 343.515 3.237 20 0 EGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000540494309 314384741 /nfs/dbraw/zinc/38/47/41/314384741.db2.gz VRJQYZYOJGEWFB-UXHICEINSA-N 2 2 343.515 3.237 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708232 315132543 /nfs/dbraw/zinc/13/25/43/315132543.db2.gz FYIBFUBPEVXYTA-IPMKNSEASA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000550708232 315132547 /nfs/dbraw/zinc/13/25/47/315132547.db2.gz FYIBFUBPEVXYTA-IPMKNSEASA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000550708232 315132548 /nfs/dbraw/zinc/13/25/48/315132548.db2.gz FYIBFUBPEVXYTA-IPMKNSEASA-N 2 2 337.552 3.266 20 0 EGADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000550708232 315132551 /nfs/dbraw/zinc/13/25/51/315132551.db2.gz FYIBFUBPEVXYTA-IPMKNSEASA-N 2 2 337.552 3.266 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921648 315137886 /nfs/dbraw/zinc/13/78/86/315137886.db2.gz WHAMDYXNRXOTKO-RDTXWAMCSA-N 2 2 346.544 3.126 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000550921648 315137888 /nfs/dbraw/zinc/13/78/88/315137888.db2.gz WHAMDYXNRXOTKO-RDTXWAMCSA-N 2 2 346.544 3.126 20 0 EGADLP Cc1ccc2[nH+]c(CNCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000551559796 315158916 /nfs/dbraw/zinc/15/89/16/315158916.db2.gz YOIBOAIKRWPORI-IRXDYDNUSA-N 2 2 328.504 3.489 20 0 EGADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2sccc2Cl)c2ccccc2)CC1 ZINC000555525731 315387829 /nfs/dbraw/zinc/38/78/29/315387829.db2.gz KUHPMUWTPFJMIV-QGZVFWFLSA-N 2 2 349.931 3.480 20 0 EGADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556611360 315446049 /nfs/dbraw/zinc/44/60/49/315446049.db2.gz MRWVJXJIZYLCTI-ZDUSSCGKSA-N 2 2 342.443 3.037 20 0 EGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000558621162 315584778 /nfs/dbraw/zinc/58/47/78/315584778.db2.gz PAGWUVJHLORIDP-LPHOPBHVSA-N 2 2 329.488 3.156 20 0 EGADLP c1ccc(OCCCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429067 316020215 /nfs/dbraw/zinc/02/02/15/316020215.db2.gz NTOCCYIVQWQZKK-HXUWFJFHSA-N 2 2 346.515 3.422 20 0 EGADLP c1ccc(OCCCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000563429067 316020217 /nfs/dbraw/zinc/02/02/17/316020217.db2.gz NTOCCYIVQWQZKK-HXUWFJFHSA-N 2 2 346.515 3.422 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H](OC2CCOCC2)c2ccccc2)n1C ZINC000571061231 317146701 /nfs/dbraw/zinc/14/67/01/317146701.db2.gz QMCOEGDNCAXSLZ-MGPUTAFESA-N 2 2 343.471 3.144 20 0 EGADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000571156542 317158768 /nfs/dbraw/zinc/15/87/68/317158768.db2.gz SOJWAZABTQQESJ-RBUKOAKNSA-N 2 2 325.456 3.410 20 0 EGADLP CCc1ccc([C@@H](C[NH2+][C@H](Cn2cccn2)C(C)C)[NH+](C)C)cc1 ZINC000571230515 317169293 /nfs/dbraw/zinc/16/92/93/317169293.db2.gz ZFUBLKJCKBCUCH-WOJBJXKFSA-N 2 2 328.504 3.363 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1Cc1ccccc1 ZINC000572566363 317357159 /nfs/dbraw/zinc/35/71/59/317357159.db2.gz GLECFIQZSOEUKK-YJBOKZPZSA-N 2 2 349.438 3.119 20 0 EGADLP C[C@H]1C[C@H](NC(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1Cc1ccccc1 ZINC000572566363 317357161 /nfs/dbraw/zinc/35/71/61/317357161.db2.gz GLECFIQZSOEUKK-YJBOKZPZSA-N 2 2 349.438 3.119 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3F)C[C@H]21 ZINC000228472156 456123441 /nfs/dbraw/zinc/12/34/41/456123441.db2.gz OUIGODKWVHCVCO-PSOPSSQASA-N 2 2 327.241 3.147 20 0 EGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3F)C[C@H]21 ZINC000228472156 456123444 /nfs/dbraw/zinc/12/34/44/456123444.db2.gz OUIGODKWVHCVCO-PSOPSSQASA-N 2 2 327.241 3.147 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@H](C)C1 ZINC000178708291 323360328 /nfs/dbraw/zinc/36/03/28/323360328.db2.gz YHTCCWQYTNAXIV-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)[C@H](C)C1 ZINC000178708291 323360332 /nfs/dbraw/zinc/36/03/32/323360332.db2.gz YHTCCWQYTNAXIV-ABAIWWIYSA-N 2 2 329.257 3.408 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202656 323374299 /nfs/dbraw/zinc/37/42/99/323374299.db2.gz JYPWSYFTZFXAFW-NXEZZACHSA-N 2 2 330.295 3.041 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ncc(Br)s1 ZINC000179202656 323374301 /nfs/dbraw/zinc/37/43/01/323374301.db2.gz JYPWSYFTZFXAFW-NXEZZACHSA-N 2 2 330.295 3.041 20 0 EGADLP Cc1[nH+]cc2n1CC[C@H](c1nc(-c3cccc(-n4cc[nH+]c4)c3)no1)C2 ZINC000350416964 324075853 /nfs/dbraw/zinc/07/58/53/324075853.db2.gz AXJOANHYGXHZIA-HNNXBMFYSA-N 2 2 346.394 3.157 20 0 EGADLP C[C@H](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)n1cc[nH+]c1 ZINC000351427972 324235079 /nfs/dbraw/zinc/23/50/79/324235079.db2.gz ZKONGGPFVSHJMN-OAHLLOKOSA-N 2 2 337.427 3.333 20 0 EGADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264643 /nfs/dbraw/zinc/26/46/43/324264643.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 3 2 341.543 3.315 20 0 EGADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264646 /nfs/dbraw/zinc/26/46/46/324264646.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264648 /nfs/dbraw/zinc/26/46/48/324264648.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 3 2 341.543 3.315 20 0 EGADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000385881894 324264652 /nfs/dbraw/zinc/26/46/52/324264652.db2.gz BVKLWVLHIHPCLA-BHIFYINESA-N 3 2 341.543 3.315 20 0 EGADLP COc1cc(F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000578658448 325000608 /nfs/dbraw/zinc/00/06/08/325000608.db2.gz YBVWPRMYASBCNO-OAHLLOKOSA-N 2 2 336.451 3.151 20 0 EGADLP COc1cc(F)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000578658448 325000611 /nfs/dbraw/zinc/00/06/11/325000611.db2.gz YBVWPRMYASBCNO-OAHLLOKOSA-N 2 2 336.451 3.151 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000578903683 325035053 /nfs/dbraw/zinc/03/50/53/325035053.db2.gz RWAYEEMZWRAJFH-GXFFZTMASA-N 2 2 329.307 3.483 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000578903683 325035054 /nfs/dbraw/zinc/03/50/54/325035054.db2.gz RWAYEEMZWRAJFH-GXFFZTMASA-N 2 2 329.307 3.483 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000580312606 325233196 /nfs/dbraw/zinc/23/31/96/325233196.db2.gz CSJLUIZOZDQZQJ-CXAGYDPISA-N 2 2 329.488 3.345 20 0 EGADLP Cc1ccc([C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[NH+](C)C)cc1 ZINC000581879298 325395686 /nfs/dbraw/zinc/39/56/86/325395686.db2.gz BRGIPQRZVOYIDO-LJQANCHMSA-N 2 2 343.446 3.355 20 0 EGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1CC[NH3+] ZINC000404343225 457540795 /nfs/dbraw/zinc/54/07/95/457540795.db2.gz FUYNQJBIKRLXLT-SMDDNHRTSA-N 2 2 344.286 3.381 20 0 EGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)[C@@H]1CC[NH3+] ZINC000404343225 457540799 /nfs/dbraw/zinc/54/07/99/457540799.db2.gz FUYNQJBIKRLXLT-SMDDNHRTSA-N 2 2 344.286 3.381 20 0 EGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000183127205 455233968 /nfs/dbraw/zinc/23/39/68/455233968.db2.gz QFUGTYDGIAKUMH-MJGOQNOKSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C2CCCCC2)n1 ZINC000183127205 455233973 /nfs/dbraw/zinc/23/39/73/455233973.db2.gz QFUGTYDGIAKUMH-MJGOQNOKSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C2CCCCC2)n1 ZINC000183127205 455233979 /nfs/dbraw/zinc/23/39/79/455233979.db2.gz QFUGTYDGIAKUMH-MJGOQNOKSA-N 2 2 330.520 3.384 20 0 EGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C2CCCCC2)n1 ZINC000183127205 455233985 /nfs/dbraw/zinc/23/39/85/455233985.db2.gz QFUGTYDGIAKUMH-MJGOQNOKSA-N 2 2 330.520 3.384 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000183124997 455234066 /nfs/dbraw/zinc/23/40/66/455234066.db2.gz SFPINVGBBLVFFH-HBMCJLEFSA-N 3 2 338.499 3.164 20 0 EGADLP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000183124997 455234070 /nfs/dbraw/zinc/23/40/70/455234070.db2.gz SFPINVGBBLVFFH-HBMCJLEFSA-N 3 2 338.499 3.164 20 0 EGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OC(F)F ZINC000183159807 455241247 /nfs/dbraw/zinc/24/12/47/455241247.db2.gz FWXFKGCIUZFNOY-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC(F)F ZINC000183159807 455241251 /nfs/dbraw/zinc/24/12/51/455241251.db2.gz FWXFKGCIUZFNOY-UHFFFAOYSA-N 2 2 325.359 3.015 20 0 EGADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]3c3ccc[nH]3)c2cc1C ZINC000239667444 455262242 /nfs/dbraw/zinc/26/22/42/455262242.db2.gz BQCZRXKJZZQRRZ-APWZRJJASA-N 2 2 338.455 3.179 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CC[N@H+](C)Cc2ccccc2)cc1OC ZINC000173344583 455270053 /nfs/dbraw/zinc/27/00/53/455270053.db2.gz IBBOZUWFANKFAL-INIZCTEOSA-N 2 2 328.456 3.486 20 0 EGADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000173344583 455270057 /nfs/dbraw/zinc/27/00/57/455270057.db2.gz IBBOZUWFANKFAL-INIZCTEOSA-N 2 2 328.456 3.486 20 0 EGADLP Cc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]c(C)n3)CC2)oc1C ZINC000264809515 455285892 /nfs/dbraw/zinc/28/58/92/455285892.db2.gz WBSBLCQPXLKJOQ-UHFFFAOYSA-N 2 2 329.448 3.022 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000245502124 455316290 /nfs/dbraw/zinc/31/62/90/455316290.db2.gz BPRMLSVDDZJFJU-JXFKEZNVSA-N 2 2 332.463 3.247 20 0 EGADLP Fc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000245502124 455316292 /nfs/dbraw/zinc/31/62/92/455316292.db2.gz BPRMLSVDDZJFJU-JXFKEZNVSA-N 2 2 332.463 3.247 20 0 EGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000030599969 453836885 /nfs/dbraw/zinc/83/68/85/453836885.db2.gz FGZDSNVUDPOIGW-UHFFFAOYSA-N 2 2 349.438 3.361 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000030903897 453841823 /nfs/dbraw/zinc/84/18/23/453841823.db2.gz XAZIMBHLPYODIH-JOCHJYFZSA-N 2 2 338.495 3.121 20 0 EGADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C ZINC000030903897 453841825 /nfs/dbraw/zinc/84/18/25/453841825.db2.gz XAZIMBHLPYODIH-JOCHJYFZSA-N 2 2 338.495 3.121 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860128 453932087 /nfs/dbraw/zinc/93/20/87/453932087.db2.gz CJJSENGFGMBAST-WMZOPIPTSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860128 453932091 /nfs/dbraw/zinc/93/20/91/453932091.db2.gz CJJSENGFGMBAST-WMZOPIPTSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860128 453932092 /nfs/dbraw/zinc/93/20/92/453932092.db2.gz CJJSENGFGMBAST-WMZOPIPTSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccccc1NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860128 453932094 /nfs/dbraw/zinc/93/20/94/453932094.db2.gz CJJSENGFGMBAST-WMZOPIPTSA-N 2 2 331.504 3.382 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000076002902 453947674 /nfs/dbraw/zinc/94/76/74/453947674.db2.gz ZZNGVIYNSJCWNB-IEBWSBKVSA-N 2 2 345.531 3.090 20 0 EGADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000076002902 453947677 /nfs/dbraw/zinc/94/76/77/453947677.db2.gz ZZNGVIYNSJCWNB-IEBWSBKVSA-N 2 2 345.531 3.090 20 0 EGADLP CCC[NH+](CCC)CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076225250 453981375 /nfs/dbraw/zinc/98/13/75/453981375.db2.gz VWYKLCNEGXFTSQ-UHFFFAOYSA-N 2 2 328.460 3.114 20 0 EGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C12CCCC2 ZINC000084673142 454004436 /nfs/dbraw/zinc/00/44/36/454004436.db2.gz HODPQUMGGVUHRJ-IAGOWNOFSA-N 2 2 326.444 3.095 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000044686408 454114131 /nfs/dbraw/zinc/11/41/31/454114131.db2.gz FCCDBGPCMNBJOG-DGCLKSJQSA-N 2 2 339.277 3.345 20 0 EGADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000044686408 454114136 /nfs/dbraw/zinc/11/41/36/454114136.db2.gz FCCDBGPCMNBJOG-DGCLKSJQSA-N 2 2 339.277 3.345 20 0 EGADLP COc1ccc(Br)cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070148508 454167294 /nfs/dbraw/zinc/16/72/94/454167294.db2.gz MBKCFODEINEATM-AWEZNQCLSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(Br)cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070148508 454167296 /nfs/dbraw/zinc/16/72/96/454167296.db2.gz MBKCFODEINEATM-AWEZNQCLSA-N 2 2 327.266 3.161 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)C[C@H](C)O1 ZINC000119883212 454232315 /nfs/dbraw/zinc/23/23/15/454232315.db2.gz BLLZOSCBEWYBSW-RVKKMQEKSA-N 2 2 336.451 3.128 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)C[C@H](C)O1 ZINC000119883212 454232320 /nfs/dbraw/zinc/23/23/20/454232320.db2.gz BLLZOSCBEWYBSW-RVKKMQEKSA-N 2 2 336.451 3.128 20 0 EGADLP Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000131490628 454258226 /nfs/dbraw/zinc/25/82/26/454258226.db2.gz KGRMTMNUUKUCTG-AEFFLSMTSA-N 2 2 334.504 3.018 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000090003995 454260259 /nfs/dbraw/zinc/26/02/59/454260259.db2.gz SBRGNCSFOLEWLV-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000090003995 454260268 /nfs/dbraw/zinc/26/02/68/454260268.db2.gz SBRGNCSFOLEWLV-OAHLLOKOSA-N 2 2 333.863 3.407 20 0 EGADLP c1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](Cc3ccncc3)CC1)CO2 ZINC000071924547 454260621 /nfs/dbraw/zinc/26/06/21/454260621.db2.gz RZQVVJVNIHWDTR-UHFFFAOYSA-N 2 2 335.451 3.112 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000090045541 454265895 /nfs/dbraw/zinc/26/58/95/454265895.db2.gz ZTZGSWMBKMINQT-CWRNSKLLSA-N 2 2 328.485 3.483 20 0 EGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2ccncc2)cs1 ZINC000090045541 454265897 /nfs/dbraw/zinc/26/58/97/454265897.db2.gz ZTZGSWMBKMINQT-CWRNSKLLSA-N 2 2 328.485 3.483 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000090047715 454266828 /nfs/dbraw/zinc/26/68/28/454266828.db2.gz URWSDRXYDGMOML-UONOGXRCSA-N 2 2 346.393 3.347 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000090047699 454267113 /nfs/dbraw/zinc/26/71/13/454267113.db2.gz ADNWYTDDSWAAKT-UONOGXRCSA-N 2 2 330.394 3.467 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000131712920 454279090 /nfs/dbraw/zinc/27/90/90/454279090.db2.gz FFVYHDZWDGUTNJ-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP CSC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000090112806 454282000 /nfs/dbraw/zinc/28/20/00/454282000.db2.gz YEGVHGIAYNRUPX-OAHLLOKOSA-N 2 2 331.485 3.435 20 0 EGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000090585483 454324083 /nfs/dbraw/zinc/32/40/83/454324083.db2.gz ULYMOUUTTYQLMM-FQEVSTJZSA-N 3 2 344.547 3.004 20 0 EGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000090585483 454324085 /nfs/dbraw/zinc/32/40/85/454324085.db2.gz ULYMOUUTTYQLMM-FQEVSTJZSA-N 3 2 344.547 3.004 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090763000 454339632 /nfs/dbraw/zinc/33/96/32/454339632.db2.gz SOKSNXLPJIUAIT-ZRGWGRIASA-N 2 2 342.487 3.290 20 0 EGADLP Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090763000 454339637 /nfs/dbraw/zinc/33/96/37/454339637.db2.gz SOKSNXLPJIUAIT-ZRGWGRIASA-N 2 2 342.487 3.290 20 0 EGADLP C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090801828 454341457 /nfs/dbraw/zinc/34/14/57/454341457.db2.gz YNDQUZPZIRSZKU-FUHWJXTLSA-N 2 2 333.439 3.197 20 0 EGADLP Cc1ccc2nc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cn2c1 ZINC000072816817 454345202 /nfs/dbraw/zinc/34/52/02/454345202.db2.gz KZPDNMSXOOZBLT-UHFFFAOYSA-N 2 2 334.467 3.397 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936824 454351374 /nfs/dbraw/zinc/35/13/74/454351374.db2.gz LWXWTDGEZPWVPW-WGGXSYPISA-N 2 2 326.843 3.239 20 0 EGADLP C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936824 454351380 /nfs/dbraw/zinc/35/13/80/454351380.db2.gz LWXWTDGEZPWVPW-WGGXSYPISA-N 2 2 326.843 3.239 20 0 EGADLP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936788 454351795 /nfs/dbraw/zinc/35/17/95/454351795.db2.gz GIUNQLDHFWJQJY-JJRVBVJISA-N 2 2 328.859 3.487 20 0 EGADLP CC[C@H](COC)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936788 454351798 /nfs/dbraw/zinc/35/17/98/454351798.db2.gz GIUNQLDHFWJQJY-JJRVBVJISA-N 2 2 328.859 3.487 20 0 EGADLP c1csc([C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)[NH+]2CCCC2)c1 ZINC000120943834 454367511 /nfs/dbraw/zinc/36/75/11/454367511.db2.gz DGRFQHYYJUKMFZ-MVJTYMMSSA-N 2 2 332.513 3.432 20 0 EGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121043212 454382462 /nfs/dbraw/zinc/38/24/62/454382462.db2.gz VTBXWVSSMFPORV-SNRMKQJTSA-N 2 2 325.456 3.282 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000097139197 454413839 /nfs/dbraw/zinc/41/38/39/454413839.db2.gz ZZYIVEPDHOTRII-ZDUSSCGKSA-N 2 2 338.377 3.289 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000097139197 454413846 /nfs/dbraw/zinc/41/38/46/454413846.db2.gz ZZYIVEPDHOTRII-ZDUSSCGKSA-N 2 2 338.377 3.289 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000121467711 454439288 /nfs/dbraw/zinc/43/92/88/454439288.db2.gz GBUMHIKBFCKMSM-UHFFFAOYSA-N 2 2 342.418 3.269 20 0 EGADLP Cc1c[nH+]ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000121467711 454439292 /nfs/dbraw/zinc/43/92/92/454439292.db2.gz GBUMHIKBFCKMSM-UHFFFAOYSA-N 2 2 342.418 3.269 20 0 EGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCn1cc[nH+]c1 ZINC000048682452 454506858 /nfs/dbraw/zinc/50/68/58/454506858.db2.gz CRWDOHGYEFHBPS-UHFFFAOYSA-N 2 2 329.835 3.129 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066192 454513302 /nfs/dbraw/zinc/51/33/02/454513302.db2.gz USWHTCYDTKUDKI-CXAGYDPISA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066192 454513307 /nfs/dbraw/zinc/51/33/07/454513307.db2.gz USWHTCYDTKUDKI-CXAGYDPISA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066192 454513310 /nfs/dbraw/zinc/51/33/10/454513310.db2.gz USWHTCYDTKUDKI-CXAGYDPISA-N 2 2 336.911 3.085 20 0 EGADLP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066192 454513314 /nfs/dbraw/zinc/51/33/14/454513314.db2.gz USWHTCYDTKUDKI-CXAGYDPISA-N 2 2 336.911 3.085 20 0 EGADLP Nc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000634990929 460643169 /nfs/dbraw/zinc/64/31/69/460643169.db2.gz IHXBYOHRSWRYEY-SFTDATJTSA-N 2 2 336.483 3.437 20 0 EGADLP Nc1ccc(-c2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000634990929 460643177 /nfs/dbraw/zinc/64/31/77/460643177.db2.gz IHXBYOHRSWRYEY-SFTDATJTSA-N 2 2 336.483 3.437 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958625 454657797 /nfs/dbraw/zinc/65/77/97/454657797.db2.gz SKTLPIINGXRHAH-GJZGRUSLSA-N 2 2 349.438 3.165 20 0 EGADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958625 454657802 /nfs/dbraw/zinc/65/78/02/454657802.db2.gz SKTLPIINGXRHAH-GJZGRUSLSA-N 2 2 349.438 3.165 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)[nH]1 ZINC000080973769 454663072 /nfs/dbraw/zinc/66/30/72/454663072.db2.gz QHVAJZUULBXJRJ-CYBMUJFWSA-N 2 2 325.441 3.308 20 0 EGADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)[nH]1 ZINC000080973769 454663077 /nfs/dbraw/zinc/66/30/77/454663077.db2.gz QHVAJZUULBXJRJ-CYBMUJFWSA-N 2 2 325.441 3.308 20 0 EGADLP c1c2ccccc2sc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017242 454671380 /nfs/dbraw/zinc/67/13/80/454671380.db2.gz BHCPUWYCTRFYQK-MRXNPFEDSA-N 2 2 330.497 3.446 20 0 EGADLP c1c2ccccc2sc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017242 454671382 /nfs/dbraw/zinc/67/13/82/454671382.db2.gz BHCPUWYCTRFYQK-MRXNPFEDSA-N 2 2 330.497 3.446 20 0 EGADLP CCc1nc2c(s1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000152780495 454724599 /nfs/dbraw/zinc/72/45/99/454724599.db2.gz XNTSCMITTPGZHO-AWEZNQCLSA-N 2 2 330.501 3.448 20 0 EGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008652 460651403 /nfs/dbraw/zinc/65/14/03/460651403.db2.gz GDEKNSVJYRCDQC-LAUBAEHRSA-N 3 2 335.495 3.257 20 0 EGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000635008652 460651412 /nfs/dbraw/zinc/65/14/12/460651412.db2.gz GDEKNSVJYRCDQC-LAUBAEHRSA-N 3 2 335.495 3.257 20 0 EGADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153149188 454764658 /nfs/dbraw/zinc/76/46/58/454764658.db2.gz CCTDKFUHXXWEKZ-UONOGXRCSA-N 2 2 325.522 3.194 20 0 EGADLP C[C@@H](C[NH2+][C@H]1CCCOc2c(Cl)cccc21)C[NH+]1CCOCC1 ZINC000153153979 454765440 /nfs/dbraw/zinc/76/54/40/454765440.db2.gz MACDPAMLJWSMSH-YOEHRIQHSA-N 2 2 338.879 3.112 20 0 EGADLP Clc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1Br ZINC000137080694 454768024 /nfs/dbraw/zinc/76/80/24/454768024.db2.gz DTYLYTKFWAYPDT-NSHDSACASA-N 2 2 329.669 3.429 20 0 EGADLP Clc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000137080694 454768027 /nfs/dbraw/zinc/76/80/27/454768027.db2.gz DTYLYTKFWAYPDT-NSHDSACASA-N 2 2 329.669 3.429 20 0 EGADLP C[C@H](C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C[NH+]1CCOCC1 ZINC000153325780 454782275 /nfs/dbraw/zinc/78/22/75/454782275.db2.gz WZVOFMJAMMCWIT-CVEARBPZSA-N 2 2 345.512 3.429 20 0 EGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000125022094 454790957 /nfs/dbraw/zinc/79/09/57/454790957.db2.gz UXPQJUFOFNZCOG-UYAOXDASSA-N 2 2 345.531 3.369 20 0 EGADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCSc3ccccc3)c12 ZINC000162975887 454814363 /nfs/dbraw/zinc/81/43/63/454814363.db2.gz KDXMDUOLTQSPKC-UHFFFAOYSA-N 2 2 348.435 3.415 20 0 EGADLP CN(C)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)c1cccs1 ZINC000125528580 454829006 /nfs/dbraw/zinc/82/90/06/454829006.db2.gz OTUFFDBISFHQGW-RDJZCZTQSA-N 2 2 326.469 3.453 20 0 EGADLP C[NH+](C)[C@@H](CN[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1cccs1 ZINC000125528580 454829010 /nfs/dbraw/zinc/82/90/10/454829010.db2.gz OTUFFDBISFHQGW-RDJZCZTQSA-N 2 2 326.469 3.453 20 0 EGADLP c1coc([C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N2CCCCC2)c1 ZINC000154006415 454856124 /nfs/dbraw/zinc/85/61/24/454856124.db2.gz RCEYHSJDAYJJSH-IBGZPJMESA-N 2 2 331.504 3.271 20 0 EGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1Br ZINC000149729865 454878605 /nfs/dbraw/zinc/87/86/05/454878605.db2.gz NSJYMDOOMDPCOO-SNVBAGLBSA-N 2 2 328.641 3.477 20 0 EGADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2ccccc2c1OC(F)F ZINC000154256277 454879260 /nfs/dbraw/zinc/87/92/60/454879260.db2.gz VFCZSBFMDPUSNZ-GXTWGEPZSA-N 2 2 338.398 3.014 20 0 EGADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CCC[NH2+]C4)cc3)[nH+]c12 ZINC000165501308 454900654 /nfs/dbraw/zinc/90/06/54/454900654.db2.gz PSKXSGXUPGRNOQ-INIZCTEOSA-N 2 2 334.423 3.248 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154511885 454902644 /nfs/dbraw/zinc/90/26/44/454902644.db2.gz JCFKLFHMYZGPAH-CRAIPNDOSA-N 2 2 332.492 3.305 20 0 EGADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154511885 454902648 /nfs/dbraw/zinc/90/26/48/454902648.db2.gz JCFKLFHMYZGPAH-CRAIPNDOSA-N 2 2 332.492 3.305 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1 ZINC000246423718 455487326 /nfs/dbraw/zinc/48/73/26/455487326.db2.gz NLGNXDMBCITZFO-WAOWUJCRSA-N 2 2 339.483 3.349 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1 ZINC000246423718 455487329 /nfs/dbraw/zinc/48/73/29/455487329.db2.gz NLGNXDMBCITZFO-WAOWUJCRSA-N 2 2 339.483 3.349 20 0 EGADLP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000177906091 454918079 /nfs/dbraw/zinc/91/80/79/454918079.db2.gz UAXLCYGLZCOVRC-MRXNPFEDSA-N 2 2 344.422 3.304 20 0 EGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000154741114 454925178 /nfs/dbraw/zinc/92/51/78/454925178.db2.gz FGNUXUSGAUSXAM-MRXNPFEDSA-N 2 2 334.460 3.010 20 0 EGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000154741114 454925181 /nfs/dbraw/zinc/92/51/81/454925181.db2.gz FGNUXUSGAUSXAM-MRXNPFEDSA-N 2 2 334.460 3.010 20 0 EGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000178331844 454948553 /nfs/dbraw/zinc/94/85/53/454948553.db2.gz LOZXCDGDPRFGKH-HOCLYGCPSA-N 2 2 333.501 3.304 20 0 EGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000178331844 454948558 /nfs/dbraw/zinc/94/85/58/454948558.db2.gz LOZXCDGDPRFGKH-HOCLYGCPSA-N 2 2 333.501 3.304 20 0 EGADLP Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCCn2cc[nH+]c2C)o1 ZINC000127310009 454952748 /nfs/dbraw/zinc/95/27/48/454952748.db2.gz ZHMSBRDXTOQPLE-SFHVURJKSA-N 2 2 337.427 3.073 20 0 EGADLP Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCCn2cc[nH+]c2C)o1 ZINC000127310009 454952751 /nfs/dbraw/zinc/95/27/51/454952751.db2.gz ZHMSBRDXTOQPLE-SFHVURJKSA-N 2 2 337.427 3.073 20 0 EGADLP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1OC(F)F ZINC000178522058 454959403 /nfs/dbraw/zinc/95/94/03/454959403.db2.gz GGGUXUDXJBFZCS-MRXNPFEDSA-N 2 2 342.430 3.176 20 0 EGADLP CC(C)COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccco1 ZINC000175782852 455497226 /nfs/dbraw/zinc/49/72/26/455497226.db2.gz CQWQAYDQVQIXLS-QGZVFWFLSA-N 2 2 340.427 3.364 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc12 ZINC000114772154 454977128 /nfs/dbraw/zinc/97/71/28/454977128.db2.gz WYJWSLOSLUPANY-IBGZPJMESA-N 2 2 349.482 3.031 20 0 EGADLP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)cc12 ZINC000114772154 454977134 /nfs/dbraw/zinc/97/71/34/454977134.db2.gz WYJWSLOSLUPANY-IBGZPJMESA-N 2 2 349.482 3.031 20 0 EGADLP C[N@H+](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCSC1 ZINC000155837450 455051541 /nfs/dbraw/zinc/05/15/41/455051541.db2.gz ZCLQFOCUJVYWOV-OAHLLOKOSA-N 2 2 343.452 3.250 20 0 EGADLP C[N@@H+](CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[C@@H]1CCSC1 ZINC000155837450 455051545 /nfs/dbraw/zinc/05/15/45/455051545.db2.gz ZCLQFOCUJVYWOV-OAHLLOKOSA-N 2 2 343.452 3.250 20 0 EGADLP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000623649240 460658994 /nfs/dbraw/zinc/65/89/94/460658994.db2.gz PPWGRCGLGMKJTM-UHFFFAOYSA-N 2 2 338.499 3.317 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179717994 455069647 /nfs/dbraw/zinc/06/96/47/455069647.db2.gz URGJHGFALBXPHG-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000179717994 455069649 /nfs/dbraw/zinc/06/96/49/455069649.db2.gz URGJHGFALBXPHG-KRWDZBQOSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148154 455078625 /nfs/dbraw/zinc/07/86/25/455078625.db2.gz MGVJZLNCTPJESI-BXTJHSDWSA-N 2 2 327.472 3.333 20 0 EGADLP Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152148154 455078629 /nfs/dbraw/zinc/07/86/29/455078629.db2.gz MGVJZLNCTPJESI-BXTJHSDWSA-N 2 2 327.472 3.333 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152370792 455108550 /nfs/dbraw/zinc/10/85/50/455108550.db2.gz FVBKTFVNWANHJA-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152370792 455108553 /nfs/dbraw/zinc/10/85/53/455108553.db2.gz FVBKTFVNWANHJA-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152370792 455108557 /nfs/dbraw/zinc/10/85/57/455108557.db2.gz FVBKTFVNWANHJA-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CSc1cccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152370792 455108562 /nfs/dbraw/zinc/10/85/62/455108562.db2.gz FVBKTFVNWANHJA-HUUCEWRRSA-N 2 2 335.517 3.009 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000129396346 455109546 /nfs/dbraw/zinc/10/95/46/455109546.db2.gz ZGJRCQVBMKEICZ-JENIJYKNSA-N 2 2 346.519 3.336 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000129396346 455109549 /nfs/dbraw/zinc/10/95/49/455109549.db2.gz ZGJRCQVBMKEICZ-JENIJYKNSA-N 2 2 346.519 3.336 20 0 EGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000156423520 455116887 /nfs/dbraw/zinc/11/68/87/455116887.db2.gz OFLZUCUHDVPBGX-MRXNPFEDSA-N 2 2 348.491 3.263 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156431478 455117609 /nfs/dbraw/zinc/11/76/09/455117609.db2.gz PAUUIIMZXSILJT-SJLPKXTDSA-N 2 2 326.444 3.022 20 0 EGADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000156431478 455117611 /nfs/dbraw/zinc/11/76/11/455117611.db2.gz PAUUIIMZXSILJT-SJLPKXTDSA-N 2 2 326.444 3.022 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156467578 455121989 /nfs/dbraw/zinc/12/19/89/455121989.db2.gz WBTTUKWFKWVNCH-CJNGLKHVSA-N 2 2 341.390 3.155 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000156467578 455121993 /nfs/dbraw/zinc/12/19/93/455121993.db2.gz WBTTUKWFKWVNCH-CJNGLKHVSA-N 2 2 341.390 3.155 20 0 EGADLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000152489503 455127010 /nfs/dbraw/zinc/12/70/10/455127010.db2.gz DNGUADCFBLELEV-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000152489503 455127013 /nfs/dbraw/zinc/12/70/13/455127013.db2.gz DNGUADCFBLELEV-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000152489503 455127017 /nfs/dbraw/zinc/12/70/17/455127017.db2.gz DNGUADCFBLELEV-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP C[NH+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152489503 455127019 /nfs/dbraw/zinc/12/70/19/455127019.db2.gz DNGUADCFBLELEV-GFCCVEGCSA-N 2 2 344.286 3.206 20 0 EGADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000172423574 455153238 /nfs/dbraw/zinc/15/32/38/455153238.db2.gz FEXZWZFIPXKGBK-OAHLLOKOSA-N 2 2 340.414 3.214 20 0 EGADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OC(F)F ZINC000172423574 455153241 /nfs/dbraw/zinc/15/32/41/455153241.db2.gz FEXZWZFIPXKGBK-OAHLLOKOSA-N 2 2 340.414 3.214 20 0 EGADLP Cc1ncsc1CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000172522824 455160050 /nfs/dbraw/zinc/16/00/50/455160050.db2.gz NKCBZILKJMXYKQ-UHFFFAOYSA-N 2 2 345.516 3.038 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157062986 455163636 /nfs/dbraw/zinc/16/36/36/455163636.db2.gz ITLBEWFRMJXBPF-XLIONFOSSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157062986 455163637 /nfs/dbraw/zinc/16/36/37/455163637.db2.gz ITLBEWFRMJXBPF-XLIONFOSSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157062986 455163640 /nfs/dbraw/zinc/16/36/40/455163640.db2.gz ITLBEWFRMJXBPF-XLIONFOSSA-N 2 2 343.515 3.030 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000157062986 455163642 /nfs/dbraw/zinc/16/36/42/455163642.db2.gz ITLBEWFRMJXBPF-XLIONFOSSA-N 2 2 343.515 3.030 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182809028 455169361 /nfs/dbraw/zinc/16/93/61/455169361.db2.gz VJWFNMPOASIHJK-RTBURBONSA-N 2 2 326.488 3.025 20 0 EGADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1nccn1C ZINC000182809028 455169366 /nfs/dbraw/zinc/16/93/66/455169366.db2.gz VJWFNMPOASIHJK-RTBURBONSA-N 2 2 326.488 3.025 20 0 EGADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000157447938 455194983 /nfs/dbraw/zinc/19/49/83/455194983.db2.gz KVZVESAPFVCBDI-SFHVURJKSA-N 2 2 335.536 3.116 20 0 EGADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCC1 ZINC000157447938 455194990 /nfs/dbraw/zinc/19/49/90/455194990.db2.gz KVZVESAPFVCBDI-SFHVURJKSA-N 2 2 335.536 3.116 20 0 EGADLP O=C(NCC[NH2+]C1CC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000237688111 455207791 /nfs/dbraw/zinc/20/77/91/455207791.db2.gz OQCPMRBTQNLVOJ-UHFFFAOYSA-N 2 2 331.803 3.009 20 0 EGADLP Cn1c2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2[nH+]c1C(C)(C)C ZINC000237728104 455212943 /nfs/dbraw/zinc/21/29/43/455212943.db2.gz ZBQKFTMZKFEZLS-LJQANCHMSA-N 2 2 328.460 3.199 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061741 455282549 /nfs/dbraw/zinc/28/25/49/455282549.db2.gz YATXUJAQYRGXEL-HZPDHXFCSA-N 2 2 346.500 3.019 20 0 EGADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061741 455282553 /nfs/dbraw/zinc/28/25/53/455282553.db2.gz YATXUJAQYRGXEL-HZPDHXFCSA-N 2 2 346.500 3.019 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245456241 455306631 /nfs/dbraw/zinc/30/66/31/455306631.db2.gz SYDQVFVFKHLLEK-RTBURBONSA-N 2 2 345.531 3.006 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000245456241 455306637 /nfs/dbraw/zinc/30/66/37/455306637.db2.gz SYDQVFVFKHLLEK-RTBURBONSA-N 2 2 345.531 3.006 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158851760 455333379 /nfs/dbraw/zinc/33/33/79/455333379.db2.gz WMQKQQZZZGNVCZ-DJIMGWMZSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158851760 455333384 /nfs/dbraw/zinc/33/33/84/455333384.db2.gz WMQKQQZZZGNVCZ-DJIMGWMZSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158851760 455333386 /nfs/dbraw/zinc/33/33/86/455333386.db2.gz WMQKQQZZZGNVCZ-DJIMGWMZSA-N 2 2 326.444 3.214 20 0 EGADLP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158851760 455333390 /nfs/dbraw/zinc/33/33/90/455333390.db2.gz WMQKQQZZZGNVCZ-DJIMGWMZSA-N 2 2 326.444 3.214 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000265504297 455335796 /nfs/dbraw/zinc/33/57/96/455335796.db2.gz PYKFDKGNOMBSTA-HNNXBMFYSA-N 2 2 326.444 3.233 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901108 455338864 /nfs/dbraw/zinc/33/88/64/455338864.db2.gz KKBUJAHDSKJAQY-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901108 455338868 /nfs/dbraw/zinc/33/88/68/455338868.db2.gz KKBUJAHDSKJAQY-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901108 455338874 /nfs/dbraw/zinc/33/88/74/455338874.db2.gz KKBUJAHDSKJAQY-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000173901108 455338876 /nfs/dbraw/zinc/33/88/76/455338876.db2.gz KKBUJAHDSKJAQY-OKZBNKHCSA-N 2 2 343.515 3.016 20 0 EGADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)s1 ZINC000159054342 455347526 /nfs/dbraw/zinc/34/75/26/455347526.db2.gz ZBSGHRHIVYSLCQ-ZDUSSCGKSA-N 2 2 325.522 3.165 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837361 455525043 /nfs/dbraw/zinc/52/50/43/455525043.db2.gz USKWVRDVHMKFST-UZLBHIALSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cncc(F)c1 ZINC000191837361 455525044 /nfs/dbraw/zinc/52/50/44/455525044.db2.gz USKWVRDVHMKFST-UZLBHIALSA-N 2 2 343.446 3.162 20 0 EGADLP C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000185485900 455564775 /nfs/dbraw/zinc/56/47/75/455564775.db2.gz IFKUYKKCFOEDFT-AWEZNQCLSA-N 2 2 343.500 3.243 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247167935 455568249 /nfs/dbraw/zinc/56/82/49/455568249.db2.gz SMAOISVPNUZILH-DNVCBOLYSA-N 2 2 342.487 3.195 20 0 EGADLP CCc1noc(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247167935 455568250 /nfs/dbraw/zinc/56/82/50/455568250.db2.gz SMAOISVPNUZILH-DNVCBOLYSA-N 2 2 342.487 3.195 20 0 EGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000182699092 455570984 /nfs/dbraw/zinc/57/09/84/455570984.db2.gz HRXULKUUOPCHLP-JKSUJKDBSA-N 2 2 340.254 3.170 20 0 EGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000182699092 455570985 /nfs/dbraw/zinc/57/09/85/455570985.db2.gz HRXULKUUOPCHLP-JKSUJKDBSA-N 2 2 340.254 3.170 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000185678461 455594413 /nfs/dbraw/zinc/59/44/13/455594413.db2.gz GLKLILFWMKIMIS-MGPUTAFESA-N 2 2 325.456 3.426 20 0 EGADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354649 455595603 /nfs/dbraw/zinc/59/56/03/455595603.db2.gz KYASRRGKULTFBZ-LJQANCHMSA-N 2 2 346.421 3.346 20 0 EGADLP Fc1ccc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192354649 455595608 /nfs/dbraw/zinc/59/56/08/455595608.db2.gz KYASRRGKULTFBZ-LJQANCHMSA-N 2 2 346.421 3.346 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185688651 455596896 /nfs/dbraw/zinc/59/68/96/455596896.db2.gz MCFDODXHYORAMN-ZIAGYGMSSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185688651 455596899 /nfs/dbraw/zinc/59/68/99/455596899.db2.gz MCFDODXHYORAMN-ZIAGYGMSSA-N 2 2 330.432 3.072 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247439557 455601050 /nfs/dbraw/zinc/60/10/50/455601050.db2.gz ISCFOIMGFQQAPQ-CKEIUWERSA-N 2 2 346.862 3.447 20 0 EGADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247439557 455601052 /nfs/dbraw/zinc/60/10/52/455601052.db2.gz ISCFOIMGFQQAPQ-CKEIUWERSA-N 2 2 346.862 3.447 20 0 EGADLP COC(=O)C1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000192437488 455615002 /nfs/dbraw/zinc/61/50/02/455615002.db2.gz XODOUKATKMUYER-CTWPCTMYSA-N 2 2 330.472 3.145 20 0 EGADLP COC(=O)C1CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000192438404 455616355 /nfs/dbraw/zinc/61/63/55/455616355.db2.gz OMLRQKXQLLAARY-CTWPCTMYSA-N 2 2 330.472 3.145 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185769405 455618613 /nfs/dbraw/zinc/61/86/13/455618613.db2.gz XGEWHFVVTSDSDG-HOCLYGCPSA-N 2 2 348.462 3.355 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769405 455618619 /nfs/dbraw/zinc/61/86/19/455618619.db2.gz XGEWHFVVTSDSDG-HOCLYGCPSA-N 2 2 348.462 3.355 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185769364 455618682 /nfs/dbraw/zinc/61/86/82/455618682.db2.gz XGEWHFVVTSDSDG-GOEBONIOSA-N 2 2 348.462 3.355 20 0 EGADLP COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769364 455618684 /nfs/dbraw/zinc/61/86/84/455618684.db2.gz XGEWHFVVTSDSDG-GOEBONIOSA-N 2 2 348.462 3.355 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000247643849 455632429 /nfs/dbraw/zinc/63/24/29/455632429.db2.gz UBOQWRDLGHHLJR-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000247643849 455632434 /nfs/dbraw/zinc/63/24/34/455632434.db2.gz UBOQWRDLGHHLJR-KSZLIROESA-N 2 2 343.515 3.016 20 0 EGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000247671933 455636390 /nfs/dbraw/zinc/63/63/90/455636390.db2.gz QYFPOFMWUDJYJB-YOEHRIQHSA-N 2 2 346.862 3.367 20 0 EGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000247671933 455636392 /nfs/dbraw/zinc/63/63/92/455636392.db2.gz QYFPOFMWUDJYJB-YOEHRIQHSA-N 2 2 346.862 3.367 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2n1 ZINC000248052145 455676424 /nfs/dbraw/zinc/67/64/24/455676424.db2.gz WQANDXYRFZDIKI-BRWVUGGUSA-N 2 2 327.472 3.385 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000284452504 455688149 /nfs/dbraw/zinc/68/81/49/455688149.db2.gz SOVCLAMPAZSRGN-GOEBONIOSA-N 2 2 339.911 3.024 20 0 EGADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000284452504 455688152 /nfs/dbraw/zinc/68/81/52/455688152.db2.gz SOVCLAMPAZSRGN-GOEBONIOSA-N 2 2 339.911 3.024 20 0 EGADLP Cc1cn2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2[nH+]1 ZINC000635144169 460688235 /nfs/dbraw/zinc/68/82/35/460688235.db2.gz RWKMLSXUXLCHHU-UHFFFAOYSA-N 2 2 348.450 3.169 20 0 EGADLP Cc1c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057418 455778264 /nfs/dbraw/zinc/77/82/64/455778264.db2.gz ZLRPTASUUTUSRG-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057418 455778268 /nfs/dbraw/zinc/77/82/68/455778268.db2.gz ZLRPTASUUTUSRG-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057418 455778271 /nfs/dbraw/zinc/77/82/71/455778271.db2.gz ZLRPTASUUTUSRG-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000269057418 455778274 /nfs/dbraw/zinc/77/82/74/455778274.db2.gz ZLRPTASUUTUSRG-UZLBHIALSA-N 2 2 326.488 3.213 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081635 455785405 /nfs/dbraw/zinc/78/54/05/455785405.db2.gz ZRYZTWUAJWTVHC-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)on1 ZINC000269081635 455785409 /nfs/dbraw/zinc/78/54/09/455785409.db2.gz ZRYZTWUAJWTVHC-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)on1 ZINC000269081635 455785411 /nfs/dbraw/zinc/78/54/11/455785411.db2.gz ZRYZTWUAJWTVHC-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)on1 ZINC000269081635 455785416 /nfs/dbraw/zinc/78/54/16/455785416.db2.gz ZRYZTWUAJWTVHC-UYAOXDASSA-N 2 2 325.456 3.470 20 0 EGADLP CC[NH+]1CCC([NH2+]Cc2nccn2CCCc2ccccc2)CC1 ZINC000269099464 455790307 /nfs/dbraw/zinc/79/03/07/455790307.db2.gz SWHQQPJLWYFUAY-UHFFFAOYSA-N 2 2 326.488 3.090 20 0 EGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3F)[nH+]c2)CC1 ZINC000269125050 455794110 /nfs/dbraw/zinc/79/41/10/455794110.db2.gz GTKWDXIEVNJLDM-UHFFFAOYSA-N 2 2 328.435 3.363 20 0 EGADLP C[C@@H]1CN(C(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000269180413 455804846 /nfs/dbraw/zinc/80/48/46/455804846.db2.gz DDTZZBWGFANRSU-WBMJQRKESA-N 2 2 345.830 3.337 20 0 EGADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c2ccccc21 ZINC000278371546 455831627 /nfs/dbraw/zinc/83/16/27/455831627.db2.gz CGKKSHJYOAXYTR-WOJBJXKFSA-N 2 2 343.515 3.013 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000285435895 455845529 /nfs/dbraw/zinc/84/55/29/455845529.db2.gz HXWFDDYFVUWLEH-XYPWUTKMSA-N 2 2 349.906 3.452 20 0 EGADLP Cc1cc(C)c(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000285435895 455845533 /nfs/dbraw/zinc/84/55/33/455845533.db2.gz HXWFDDYFVUWLEH-XYPWUTKMSA-N 2 2 349.906 3.452 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000285435895 455845538 /nfs/dbraw/zinc/84/55/38/455845538.db2.gz HXWFDDYFVUWLEH-XYPWUTKMSA-N 2 2 349.906 3.452 20 0 EGADLP Cc1cc(C)c(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000285435895 455845544 /nfs/dbraw/zinc/84/55/44/455845544.db2.gz HXWFDDYFVUWLEH-XYPWUTKMSA-N 2 2 349.906 3.452 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCSCC1 ZINC000186969583 455857983 /nfs/dbraw/zinc/85/79/83/455857983.db2.gz BRDCZAWQXCWJDY-GOSISDBHSA-N 2 2 347.572 3.320 20 0 EGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272209589 455877892 /nfs/dbraw/zinc/87/78/92/455877892.db2.gz PYTVYUIQSNHJOH-PKOBYXMFSA-N 3 2 334.467 3.335 20 0 EGADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209589 455877897 /nfs/dbraw/zinc/87/78/97/455877897.db2.gz PYTVYUIQSNHJOH-PKOBYXMFSA-N 3 2 334.467 3.335 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251432 455892447 /nfs/dbraw/zinc/89/24/47/455892447.db2.gz CCDHTKWMZBOXRB-AEFFLSMTSA-N 2 2 338.455 3.422 20 0 EGADLP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000272251432 455892449 /nfs/dbraw/zinc/89/24/49/455892449.db2.gz CCDHTKWMZBOXRB-AEFFLSMTSA-N 2 2 338.455 3.422 20 0 EGADLP c1cn(CCC[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c[nH+]1 ZINC000272273629 455897575 /nfs/dbraw/zinc/89/75/75/455897575.db2.gz SGYKMEGFFWQLPG-QGZVFWFLSA-N 2 2 342.491 3.319 20 0 EGADLP c1cn(CCC[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c[nH+]1 ZINC000272273629 455897580 /nfs/dbraw/zinc/89/75/80/455897580.db2.gz SGYKMEGFFWQLPG-QGZVFWFLSA-N 2 2 342.491 3.319 20 0 EGADLP Cc1ccnc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000285710283 455901789 /nfs/dbraw/zinc/90/17/89/455901789.db2.gz PNKFNDRCIPTURA-KRWDZBQOSA-N 2 2 325.456 3.073 20 0 EGADLP CCc1ccc([C@@H](CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)[NH+](C)C)cc1 ZINC000194958074 455905226 /nfs/dbraw/zinc/90/52/26/455905226.db2.gz BYLBFIULTKQQNA-WOJBJXKFSA-N 2 2 349.482 3.349 20 0 EGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000261602407 455911539 /nfs/dbraw/zinc/91/15/39/455911539.db2.gz AAQSFJZGEXMQJN-HXUWFJFHSA-N 2 2 335.536 3.151 20 0 EGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000261602407 455911540 /nfs/dbraw/zinc/91/15/40/455911540.db2.gz AAQSFJZGEXMQJN-HXUWFJFHSA-N 2 2 335.536 3.151 20 0 EGADLP CCc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000272337216 455919084 /nfs/dbraw/zinc/91/90/84/455919084.db2.gz BEUAITZUBDMSSV-HNNXBMFYSA-N 2 2 339.487 3.268 20 0 EGADLP COCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(C)o1 ZINC000272376921 455930716 /nfs/dbraw/zinc/93/07/16/455930716.db2.gz YDFQXEDQAJUZDO-INIZCTEOSA-N 2 2 326.400 3.036 20 0 EGADLP CC[NH+](CC)[C@H](C[NH2+][C@H](COC)C1CCOCC1)c1ccccc1 ZINC000187675365 455936753 /nfs/dbraw/zinc/93/67/53/455936753.db2.gz OFXMBUALUBAGCL-WOJBJXKFSA-N 2 2 334.504 3.101 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000280292195 455938060 /nfs/dbraw/zinc/93/80/60/455938060.db2.gz UQXNHYXWLFDTJL-KRWDZBQOSA-N 3 2 326.488 3.466 20 0 EGADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000280292195 455938065 /nfs/dbraw/zinc/93/80/65/455938065.db2.gz UQXNHYXWLFDTJL-KRWDZBQOSA-N 3 2 326.488 3.466 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000296482995 455950738 /nfs/dbraw/zinc/95/07/38/455950738.db2.gz PGSXFDAXCXWZII-VQIMIIECSA-N 2 2 326.488 3.464 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000296482995 455950739 /nfs/dbraw/zinc/95/07/39/455950739.db2.gz PGSXFDAXCXWZII-VQIMIIECSA-N 2 2 326.488 3.464 20 0 EGADLP C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000187793367 455953190 /nfs/dbraw/zinc/95/31/90/455953190.db2.gz FULWPTABUHSXFW-KRWDZBQOSA-N 2 2 342.458 3.379 20 0 EGADLP CSc1ccc([C@@H](CNC(N)=[NH2+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261872713 455962251 /nfs/dbraw/zinc/96/22/51/455962251.db2.gz PGSHLZUPGAHUMS-OAHLLOKOSA-N 2 2 346.525 3.052 20 0 EGADLP CSc1ccc([C@@H](CNC(N)=[NH2+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261872713 455962256 /nfs/dbraw/zinc/96/22/56/455962256.db2.gz PGSHLZUPGAHUMS-OAHLLOKOSA-N 2 2 346.525 3.052 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000261878583 455964051 /nfs/dbraw/zinc/96/40/51/455964051.db2.gz QMDULHHFUAGDTC-GOEBONIOSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N)s2)CC[N@H+]1Cc1ccccc1 ZINC000261878583 455964055 /nfs/dbraw/zinc/96/40/55/455964055.db2.gz QMDULHHFUAGDTC-GOEBONIOSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878583 455964058 /nfs/dbraw/zinc/96/40/58/455964058.db2.gz QMDULHHFUAGDTC-GOEBONIOSA-N 2 2 330.501 3.210 20 0 EGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(N)s2)CC[NH+]1Cc1ccccc1 ZINC000261878583 455964063 /nfs/dbraw/zinc/96/40/63/455964063.db2.gz QMDULHHFUAGDTC-GOEBONIOSA-N 2 2 330.501 3.210 20 0 EGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187957339 455971742 /nfs/dbraw/zinc/97/17/42/455971742.db2.gz XNVGICRVMWTBTF-DYVFJYSZSA-N 2 2 327.407 3.069 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000272560931 455994795 /nfs/dbraw/zinc/99/47/95/455994795.db2.gz UHWKQMSDNDBIHO-RDJZCZTQSA-N 2 2 342.439 3.066 20 0 EGADLP COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000272560931 455994799 /nfs/dbraw/zinc/99/47/99/455994799.db2.gz UHWKQMSDNDBIHO-RDJZCZTQSA-N 2 2 342.439 3.066 20 0 EGADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000623759452 460708282 /nfs/dbraw/zinc/70/82/82/460708282.db2.gz MSFZSTQKEABTLA-LJQANCHMSA-N 2 2 330.859 3.163 20 0 EGADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000623759452 460708290 /nfs/dbraw/zinc/70/82/90/460708290.db2.gz MSFZSTQKEABTLA-LJQANCHMSA-N 2 2 330.859 3.163 20 0 EGADLP Clc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752202 456045644 /nfs/dbraw/zinc/04/56/44/456045644.db2.gz BRLDLVXBUBBARE-ROUUACIJSA-N 2 2 349.906 3.211 20 0 EGADLP Clc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C[NH+]1CCOCC1 ZINC000280752202 456045650 /nfs/dbraw/zinc/04/56/50/456045650.db2.gz BRLDLVXBUBBARE-ROUUACIJSA-N 2 2 349.906 3.211 20 0 EGADLP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000272718050 456051390 /nfs/dbraw/zinc/05/13/90/456051390.db2.gz ZFCRYDSLCUEHQR-IRXDYDNUSA-N 2 2 342.443 3.184 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827739 456082434 /nfs/dbraw/zinc/08/24/34/456082434.db2.gz PLZLDABCPPSWFH-SOLBZPMBSA-N 2 2 341.503 3.489 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000272827739 456082437 /nfs/dbraw/zinc/08/24/37/456082437.db2.gz PLZLDABCPPSWFH-SOLBZPMBSA-N 2 2 341.503 3.489 20 0 EGADLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)c1c[nH]c2ncccc12 ZINC000271061956 456116782 /nfs/dbraw/zinc/11/67/82/456116782.db2.gz KVQAFKYHZITZGC-BBRMVZONSA-N 2 2 330.476 3.090 20 0 EGADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc[nH+]cc1Cl ZINC000301530534 456139990 /nfs/dbraw/zinc/13/99/90/456139990.db2.gz HLOSTAQKFAWBJM-OAHLLOKOSA-N 2 2 330.863 3.358 20 0 EGADLP Fc1cncc([C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C2CC2)c1 ZINC000281174158 456152977 /nfs/dbraw/zinc/15/29/77/456152977.db2.gz IBLDCDBJXTUBCZ-FQEVSTJZSA-N 2 2 340.446 3.321 20 0 EGADLP CN(C)c1cc[nH+]c(N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000301697038 456189853 /nfs/dbraw/zinc/18/98/53/456189853.db2.gz QEEXNDXGPMIDSQ-UHFFFAOYSA-N 2 2 347.466 3.018 20 0 EGADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297361981 456199962 /nfs/dbraw/zinc/19/99/62/456199962.db2.gz GWCBMPUNWCYBAU-GOSISDBHSA-N 3 2 338.499 3.161 20 0 EGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297361981 456199967 /nfs/dbraw/zinc/19/99/67/456199967.db2.gz GWCBMPUNWCYBAU-GOSISDBHSA-N 3 2 338.499 3.161 20 0 EGADLP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302014651 456269138 /nfs/dbraw/zinc/26/91/38/456269138.db2.gz LFAZKAHLAWPMMJ-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000302014651 456269140 /nfs/dbraw/zinc/26/91/40/456269140.db2.gz LFAZKAHLAWPMMJ-KRWDZBQOSA-N 2 2 339.487 3.399 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044433 456274953 /nfs/dbraw/zinc/27/49/53/456274953.db2.gz MMYYHLOOQFHFLG-WMZOPIPTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302044433 456274956 /nfs/dbraw/zinc/27/49/56/456274956.db2.gz MMYYHLOOQFHFLG-WMZOPIPTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044433 456274959 /nfs/dbraw/zinc/27/49/59/456274959.db2.gz MMYYHLOOQFHFLG-WMZOPIPTSA-N 2 2 343.519 3.389 20 0 EGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302044433 456274962 /nfs/dbraw/zinc/27/49/62/456274962.db2.gz MMYYHLOOQFHFLG-WMZOPIPTSA-N 2 2 343.519 3.389 20 0 EGADLP COc1ccccc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000275527743 456276350 /nfs/dbraw/zinc/27/63/50/456276350.db2.gz CQJUVXDXAUHNNP-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP COc1ccccc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000275527743 456276353 /nfs/dbraw/zinc/27/63/53/456276353.db2.gz CQJUVXDXAUHNNP-IBGZPJMESA-N 2 2 325.456 3.235 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2ccc3occc3c2)[N@H+](Cc2ccccc2)C1 ZINC000352758755 456281578 /nfs/dbraw/zinc/28/15/78/456281578.db2.gz IDPOCOUOHPGEKW-VQTJNVASSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@@H]1C[C@@H](C[NH2+]Cc2ccc3occc3c2)[N@@H+](Cc2ccccc2)C1 ZINC000352758755 456281583 /nfs/dbraw/zinc/28/15/83/456281583.db2.gz IDPOCOUOHPGEKW-VQTJNVASSA-N 2 2 336.435 3.158 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000340173121 456289476 /nfs/dbraw/zinc/28/94/76/456289476.db2.gz OMBZREWPMVWPFE-VQTJNVASSA-N 2 2 328.500 3.108 20 0 EGADLP O[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000340173121 456289481 /nfs/dbraw/zinc/28/94/81/456289481.db2.gz OMBZREWPMVWPFE-VQTJNVASSA-N 2 2 328.500 3.108 20 0 EGADLP c1cc(N2CCC([NH2+]c3ccc(O[C@H]4CCOC4)cc3)CC2)cc[nH+]1 ZINC000297935989 456328153 /nfs/dbraw/zinc/32/81/53/456328153.db2.gz UVRANAYWMSXGET-FQEVSTJZSA-N 2 2 339.439 3.330 20 0 EGADLP COc1cccc2c(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc[nH+]c12 ZINC000302418208 456342358 /nfs/dbraw/zinc/34/23/58/456342358.db2.gz IJNRVJBXFAYNIK-GJZGRUSLSA-N 2 2 329.444 3.155 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352828295 456343314 /nfs/dbraw/zinc/34/33/14/456343314.db2.gz YDGNTIVWXFDUAN-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000352828295 456343317 /nfs/dbraw/zinc/34/33/17/456343317.db2.gz YDGNTIVWXFDUAN-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000352828295 456343320 /nfs/dbraw/zinc/34/33/20/456343320.db2.gz YDGNTIVWXFDUAN-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000352828295 456343322 /nfs/dbraw/zinc/34/33/22/456343322.db2.gz YDGNTIVWXFDUAN-OAQYLSRUSA-N 2 2 337.467 3.188 20 0 EGADLP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000281897711 456352762 /nfs/dbraw/zinc/35/27/62/456352762.db2.gz HPJNRWNTVJPWLM-GOSISDBHSA-N 2 2 346.478 3.284 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)c1ccc(OC(C)C)cc1 ZINC000290537055 456357176 /nfs/dbraw/zinc/35/71/76/456357176.db2.gz YNMKRRMIKDXSPF-FQEVSTJZSA-N 2 2 328.456 3.433 20 0 EGADLP COc1sc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290548900 456361374 /nfs/dbraw/zinc/36/13/74/456361374.db2.gz RRTAXTRBZHNLKJ-GXFFZTMASA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Br ZINC000290548900 456361377 /nfs/dbraw/zinc/36/13/77/456361377.db2.gz RRTAXTRBZHNLKJ-GXFFZTMASA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Br ZINC000290548900 456361382 /nfs/dbraw/zinc/36/13/82/456361382.db2.gz RRTAXTRBZHNLKJ-GXFFZTMASA-N 2 2 347.322 3.291 20 0 EGADLP COc1sc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000290548900 456361388 /nfs/dbraw/zinc/36/13/88/456361388.db2.gz RRTAXTRBZHNLKJ-GXFFZTMASA-N 2 2 347.322 3.291 20 0 EGADLP COc1cccc2c(N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000302610395 456364517 /nfs/dbraw/zinc/36/45/17/456364517.db2.gz DUUUKHLAOVLRHG-LSDHHAIUSA-N 2 2 329.444 3.073 20 0 EGADLP CC[NH+]1CCN(C[C@H](C)CNc2cc(C)[nH+]c3ccc(F)cc23)CC1 ZINC000302648284 456368396 /nfs/dbraw/zinc/36/83/96/456368396.db2.gz JJVKFAGJXIILLK-OAHLLOKOSA-N 2 2 344.478 3.368 20 0 EGADLP FC(F)O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000337558934 456380473 /nfs/dbraw/zinc/38/04/73/456380473.db2.gz UBASNUKKSLOPTD-SJORKVTESA-N 2 2 339.430 3.186 20 0 EGADLP CC(C)c1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000302771511 456395659 /nfs/dbraw/zinc/39/56/59/456395659.db2.gz CILSJIWOIYTUDC-SFHVURJKSA-N 2 2 340.471 3.303 20 0 EGADLP CC(C)c1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000302771511 456395664 /nfs/dbraw/zinc/39/56/64/456395664.db2.gz CILSJIWOIYTUDC-SFHVURJKSA-N 2 2 340.471 3.303 20 0 EGADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000352909157 456406450 /nfs/dbraw/zinc/40/64/50/456406450.db2.gz YNBLXMUPNXNGRS-NRMKIYEFSA-N 2 2 333.382 3.492 20 0 EGADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000343156292 456439345 /nfs/dbraw/zinc/43/93/45/456439345.db2.gz BAAFLXOAMZMJTP-BBRMVZONSA-N 2 2 330.394 3.195 20 0 EGADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000343156292 456439350 /nfs/dbraw/zinc/43/93/50/456439350.db2.gz BAAFLXOAMZMJTP-BBRMVZONSA-N 2 2 330.394 3.195 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000340475670 456483492 /nfs/dbraw/zinc/48/34/92/456483492.db2.gz MQZLSLXHBJKIJZ-VQTJNVASSA-N 2 2 326.488 3.162 20 0 EGADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000340475670 456483499 /nfs/dbraw/zinc/48/34/99/456483499.db2.gz MQZLSLXHBJKIJZ-VQTJNVASSA-N 2 2 326.488 3.162 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000340473098 456481666 /nfs/dbraw/zinc/48/16/66/456481666.db2.gz HZEOYBIEPNNSSL-APWZRJJASA-N 2 2 325.456 3.405 20 0 EGADLP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000340473098 456481675 /nfs/dbraw/zinc/48/16/75/456481675.db2.gz HZEOYBIEPNNSSL-APWZRJJASA-N 2 2 325.456 3.405 20 0 EGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H](C)C1 ZINC000340490829 456488878 /nfs/dbraw/zinc/48/88/78/456488878.db2.gz SGJXMUXUCODYBI-ACJLOTCBSA-N 2 2 344.421 3.331 20 0 EGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cc(F)cc2F)[C@H](C)C1 ZINC000340490829 456488886 /nfs/dbraw/zinc/48/88/86/456488886.db2.gz SGJXMUXUCODYBI-ACJLOTCBSA-N 2 2 344.421 3.331 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508447 456499683 /nfs/dbraw/zinc/49/96/83/456499683.db2.gz ZASATFCOPFQKFX-ORAYPTAESA-N 2 2 349.400 3.499 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(F)cc(F)cc1F ZINC000340508447 456499690 /nfs/dbraw/zinc/49/96/90/456499690.db2.gz ZASATFCOPFQKFX-ORAYPTAESA-N 2 2 349.400 3.499 20 0 EGADLP COc1ccc(F)cc1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000291078196 456520407 /nfs/dbraw/zinc/52/04/07/456520407.db2.gz UHZPOLYZULEZJW-UHFFFAOYSA-N 2 2 327.403 3.443 20 0 EGADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000312067196 456590449 /nfs/dbraw/zinc/59/04/49/456590449.db2.gz LMCKWSPIQZABMM-WOJBJXKFSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000312067196 456590455 /nfs/dbraw/zinc/59/04/55/456590455.db2.gz LMCKWSPIQZABMM-WOJBJXKFSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000312067196 456590462 /nfs/dbraw/zinc/59/04/62/456590462.db2.gz LMCKWSPIQZABMM-WOJBJXKFSA-N 2 2 349.478 3.079 20 0 EGADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000312067196 456590470 /nfs/dbraw/zinc/59/04/70/456590470.db2.gz LMCKWSPIQZABMM-WOJBJXKFSA-N 2 2 349.478 3.079 20 0 EGADLP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)C1CCC(F)(F)CC1 ZINC000353276453 456605493 /nfs/dbraw/zinc/60/54/93/456605493.db2.gz MGFWWLRWQXUGIS-CQSZACIVSA-N 2 2 338.446 3.459 20 0 EGADLP Cc1[nH+]cn(-c2ccc([NH2+][C@@H](C)C3CCS(=O)(=O)CC3)cc2)c1C ZINC000291322389 456605862 /nfs/dbraw/zinc/60/58/62/456605862.db2.gz SYABNAITHKKDFN-AWEZNQCLSA-N 2 2 347.484 3.114 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000282754909 456614895 /nfs/dbraw/zinc/61/48/95/456614895.db2.gz NYDVZZWEKNESDL-LNLFQRSKSA-N 2 2 326.488 3.290 20 0 EGADLP Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000282754909 456614898 /nfs/dbraw/zinc/61/48/98/456614898.db2.gz NYDVZZWEKNESDL-LNLFQRSKSA-N 2 2 326.488 3.290 20 0 EGADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000348315091 456617809 /nfs/dbraw/zinc/61/78/09/456617809.db2.gz CCCUJMBULCLEFW-XOBRGWDASA-N 2 2 341.430 3.297 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1cc(Cl)ccc1Cl ZINC000318197192 456618882 /nfs/dbraw/zinc/61/88/82/456618882.db2.gz BMLUQYLTWVHUQC-XHDPSFHLSA-N 2 2 342.270 3.006 20 0 EGADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21)Nc1cc(Cl)ccc1Cl ZINC000318197192 456618890 /nfs/dbraw/zinc/61/88/90/456618890.db2.gz BMLUQYLTWVHUQC-XHDPSFHLSA-N 2 2 342.270 3.006 20 0 EGADLP COc1cccc2cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCC(C)CC3)oc21 ZINC000353323417 456638175 /nfs/dbraw/zinc/63/81/75/456638175.db2.gz ZOTOLAWOXSIWGV-WBVHZDCISA-N 2 2 346.471 3.185 20 0 EGADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443086 456638161 /nfs/dbraw/zinc/63/81/61/456638161.db2.gz WFVAISWZBLUCBF-IRXDYDNUSA-N 2 2 335.879 3.275 20 0 EGADLP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1Cl ZINC000321443086 456638165 /nfs/dbraw/zinc/63/81/65/456638165.db2.gz WFVAISWZBLUCBF-IRXDYDNUSA-N 2 2 335.879 3.275 20 0 EGADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc4OC3)CC2)nc1 ZINC000338009440 456654968 /nfs/dbraw/zinc/65/49/68/456654968.db2.gz URRFGOKHPCWPRN-FQEVSTJZSA-N 2 2 337.467 3.029 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000282952066 456673382 /nfs/dbraw/zinc/67/33/82/456673382.db2.gz HEWAMLPHYFPWNJ-FXAWDEMLSA-N 3 2 326.488 3.082 20 0 EGADLP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000282952066 456673386 /nfs/dbraw/zinc/67/33/86/456673386.db2.gz HEWAMLPHYFPWNJ-FXAWDEMLSA-N 3 2 326.488 3.082 20 0 EGADLP COc1ccsc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277082798 456674913 /nfs/dbraw/zinc/67/49/13/456674913.db2.gz ULRIUXWDRHBMON-QGZVFWFLSA-N 2 2 346.496 3.137 20 0 EGADLP COc1ccsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277082798 456674916 /nfs/dbraw/zinc/67/49/16/456674916.db2.gz ULRIUXWDRHBMON-QGZVFWFLSA-N 2 2 346.496 3.137 20 0 EGADLP c1c(CC[NH2+][C@H](Cc2ccccn2)c2cccnc2)[nH+]c2ccccn12 ZINC000338193989 456696853 /nfs/dbraw/zinc/69/68/53/456696853.db2.gz LYSSLZSFAOJMNK-HXUWFJFHSA-N 2 2 343.434 3.240 20 0 EGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H]1c1ccnn1C(C)C ZINC000348486610 456710613 /nfs/dbraw/zinc/71/06/13/456710613.db2.gz ZJSSGXMZNQYKNC-IEBWSBKVSA-N 2 2 328.460 3.220 20 0 EGADLP COC(=O)c1occc1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000343566752 456711473 /nfs/dbraw/zinc/71/14/73/456711473.db2.gz KKFNANWVXYTWFI-UHFFFAOYSA-N 2 2 342.439 3.129 20 0 EGADLP COCc1ccccc1/C=C(\C)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353499937 456719153 /nfs/dbraw/zinc/71/91/53/456719153.db2.gz FGSZFIMZMGYOAF-GZTJUZNOSA-N 2 2 348.450 3.410 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@H+](C)Cc1ccccc1 ZINC000353514231 456728499 /nfs/dbraw/zinc/72/84/99/456728499.db2.gz BUEQTPPNYQIAQA-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)[N@@H+](C)Cc1ccccc1 ZINC000353514231 456728505 /nfs/dbraw/zinc/72/85/05/456728505.db2.gz BUEQTPPNYQIAQA-ROUUACIJSA-N 2 2 349.482 3.438 20 0 EGADLP CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655547 456729153 /nfs/dbraw/zinc/72/91/53/456729153.db2.gz MZRMHJZUYRYFBE-KGLIPLIRSA-N 2 2 329.448 3.105 20 0 EGADLP CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000328655547 456729157 /nfs/dbraw/zinc/72/91/57/456729157.db2.gz MZRMHJZUYRYFBE-KGLIPLIRSA-N 2 2 329.448 3.105 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]CCCNc2cccc[nH+]2)c(C)c1OC ZINC000353529639 456738855 /nfs/dbraw/zinc/73/88/55/456738855.db2.gz JWQYSRLFYYNHGZ-HNNXBMFYSA-N 2 2 343.471 3.430 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348538755 456748078 /nfs/dbraw/zinc/74/80/78/456748078.db2.gz GGPDSJHYPBCPJV-ULQDDVLXSA-N 2 2 340.471 3.163 20 0 EGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000348538755 456748086 /nfs/dbraw/zinc/74/80/86/456748086.db2.gz GGPDSJHYPBCPJV-ULQDDVLXSA-N 2 2 340.471 3.163 20 0 EGADLP COCC(C)(C)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000291796475 456760515 /nfs/dbraw/zinc/76/05/15/456760515.db2.gz WTNPBRNJKYKRGU-UHFFFAOYSA-N 2 2 340.265 3.167 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2ccccc21 ZINC000283509216 456794234 /nfs/dbraw/zinc/79/42/34/456794234.db2.gz ZIGXOQPKGJFECY-IONDEXAJSA-N 2 2 342.483 3.383 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c2ccccc21 ZINC000283509216 456794240 /nfs/dbraw/zinc/79/42/40/456794240.db2.gz ZIGXOQPKGJFECY-IONDEXAJSA-N 2 2 342.483 3.383 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277378661 456801614 /nfs/dbraw/zinc/80/16/14/456801614.db2.gz YBVDHFZRNLMWFU-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277378661 456801619 /nfs/dbraw/zinc/80/16/19/456801619.db2.gz YBVDHFZRNLMWFU-HOCLYGCPSA-N 2 2 335.517 3.152 20 0 EGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)C2 ZINC000344160456 456802697 /nfs/dbraw/zinc/80/26/97/456802697.db2.gz DVXYJNZFCTWFLE-ZZCKCESHSA-N 2 2 329.488 3.043 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000344218559 456807624 /nfs/dbraw/zinc/80/76/24/456807624.db2.gz LYJYPSIWKKUQRP-CQSZACIVSA-N 2 2 329.444 3.391 20 0 EGADLP CCOC(=O)C(C)(C)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000348669612 456809879 /nfs/dbraw/zinc/80/98/79/456809879.db2.gz GXKGMEMNQPDDKE-UHFFFAOYSA-N 2 2 329.444 3.136 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660614 456839476 /nfs/dbraw/zinc/83/94/76/456839476.db2.gz MYYSPKADCPDSKP-QZTJIDSGSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660614 456839480 /nfs/dbraw/zinc/83/94/80/456839480.db2.gz MYYSPKADCPDSKP-QZTJIDSGSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660614 456839483 /nfs/dbraw/zinc/83/94/83/456839483.db2.gz MYYSPKADCPDSKP-QZTJIDSGSA-N 2 2 326.488 3.485 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccccc2C)C[C@H]1C ZINC000353660614 456839489 /nfs/dbraw/zinc/83/94/89/456839489.db2.gz MYYSPKADCPDSKP-QZTJIDSGSA-N 2 2 326.488 3.485 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662794 456840055 /nfs/dbraw/zinc/84/00/55/456840055.db2.gz RTPJZMMZBUUWKR-QAPCUYQASA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662794 456840058 /nfs/dbraw/zinc/84/00/58/456840058.db2.gz RTPJZMMZBUUWKR-QAPCUYQASA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662794 456840063 /nfs/dbraw/zinc/84/00/63/456840063.db2.gz RTPJZMMZBUUWKR-QAPCUYQASA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@H]1C ZINC000353662794 456840067 /nfs/dbraw/zinc/84/00/67/456840067.db2.gz RTPJZMMZBUUWKR-QAPCUYQASA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662793 456841148 /nfs/dbraw/zinc/84/11/48/456841148.db2.gz RTPJZMMZBUUWKR-MAUKXSAKSA-N 2 2 330.451 3.316 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662793 456841155 /nfs/dbraw/zinc/84/11/55/456841155.db2.gz RTPJZMMZBUUWKR-MAUKXSAKSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662793 456841160 /nfs/dbraw/zinc/84/11/60/456841160.db2.gz RTPJZMMZBUUWKR-MAUKXSAKSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnn2-c2ccc(F)cc2)C[C@@H]1C ZINC000353662793 456841164 /nfs/dbraw/zinc/84/11/64/456841164.db2.gz RTPJZMMZBUUWKR-MAUKXSAKSA-N 2 2 330.451 3.316 20 0 EGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000353680362 456850722 /nfs/dbraw/zinc/85/07/22/456850722.db2.gz UBLHGOBGOONGNN-UHFFFAOYSA-N 2 2 331.464 3.166 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccco1 ZINC000353680366 456850885 /nfs/dbraw/zinc/85/08/85/456850885.db2.gz UCEBTYVFZYFJLO-ZFWWWQNUSA-N 2 2 341.415 3.178 20 0 EGADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000344810651 456862860 /nfs/dbraw/zinc/86/28/60/456862860.db2.gz HSFOKAHGSMLKQD-CRAIPNDOSA-N 2 2 336.476 3.365 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000348826674 456872985 /nfs/dbraw/zinc/87/29/85/456872985.db2.gz IHFPOSJTYWVKOG-GOEBONIOSA-N 2 2 346.862 3.072 20 0 EGADLP CN(c1ccccc1C[N@@H+]1CCC[C@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000348830802 456875211 /nfs/dbraw/zinc/87/52/11/456875211.db2.gz DSFBWWYFQKBUJF-SFHVURJKSA-N 2 2 337.458 3.447 20 0 EGADLP CN(c1ccccc1C[N@H+]1CCC[C@H]1C(F)F)C1CC[NH+](C)CC1 ZINC000348830802 456875215 /nfs/dbraw/zinc/87/52/15/456875215.db2.gz DSFBWWYFQKBUJF-SFHVURJKSA-N 2 2 337.458 3.447 20 0 EGADLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1OC ZINC000349186538 456906349 /nfs/dbraw/zinc/90/63/49/456906349.db2.gz JXDZWXRMEHAVTO-ZDUSSCGKSA-N 2 2 335.835 3.080 20 0 EGADLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Cl)c1OC ZINC000349186538 456906356 /nfs/dbraw/zinc/90/63/56/456906356.db2.gz JXDZWXRMEHAVTO-ZDUSSCGKSA-N 2 2 335.835 3.080 20 0 EGADLP C[NH+](C)CCCOC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000339058170 456920725 /nfs/dbraw/zinc/92/07/25/456920725.db2.gz YIIJYYWKLBZSKZ-UHFFFAOYSA-N 2 2 331.382 3.038 20 0 EGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861365 456939876 /nfs/dbraw/zinc/93/98/76/456939876.db2.gz ARCYLUOXESRACV-LPHOPBHVSA-N 2 2 325.456 3.090 20 0 EGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000353861365 456939879 /nfs/dbraw/zinc/93/98/79/456939879.db2.gz ARCYLUOXESRACV-LPHOPBHVSA-N 2 2 325.456 3.090 20 0 EGADLP CCn1nc(C)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1C ZINC000349351081 456950521 /nfs/dbraw/zinc/95/05/21/456950521.db2.gz QDFNWPZMGZTCAU-UHFFFAOYSA-N 2 2 329.492 3.409 20 0 EGADLP Cc1n[nH]cc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349387749 456961182 /nfs/dbraw/zinc/96/11/82/456961182.db2.gz WGJQGECGPKVIRQ-UHFFFAOYSA-N 2 2 329.835 3.270 20 0 EGADLP Cc1n[nH]cc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000349387749 456961185 /nfs/dbraw/zinc/96/11/85/456961185.db2.gz WGJQGECGPKVIRQ-UHFFFAOYSA-N 2 2 329.835 3.270 20 0 EGADLP CCc1nn(C)c(CC)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000349424048 456966348 /nfs/dbraw/zinc/96/63/48/456966348.db2.gz YCBRPFMRWQJROX-UHFFFAOYSA-N 2 2 343.519 3.434 20 0 EGADLP CC[NH+](CC)CCC[N@H+](CC)Cc1c(C)nn(-c2ccccn2)c1C ZINC000349422885 456966932 /nfs/dbraw/zinc/96/69/32/456966932.db2.gz WCPBKUNLFJWMDG-UHFFFAOYSA-N 2 2 343.519 3.438 20 0 EGADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(C)nn(-c2ccccn2)c1C ZINC000349422885 456966936 /nfs/dbraw/zinc/96/69/36/456966936.db2.gz WCPBKUNLFJWMDG-UHFFFAOYSA-N 2 2 343.519 3.438 20 0 EGADLP CC1=C(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177815 456978104 /nfs/dbraw/zinc/97/81/04/456978104.db2.gz WWLIIEAMNPEAGD-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP CC1=C(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000339177815 456978107 /nfs/dbraw/zinc/97/81/07/456978107.db2.gz WWLIIEAMNPEAGD-UXHICEINSA-N 2 2 347.547 3.282 20 0 EGADLP Cc1cccc(C[NH+]2CCN(Cc3c[nH+]c4ccc(C)cn34)CC2)c1 ZINC000349617096 456997373 /nfs/dbraw/zinc/99/73/73/456997373.db2.gz OVVDLIVYQWONSP-UHFFFAOYSA-N 2 2 334.467 3.269 20 0 EGADLP Cn1c(NCc2ccc(-n3cc[nH+]c3)cc2)[nH+]c2cccc(Cl)c21 ZINC000341962827 457027638 /nfs/dbraw/zinc/02/76/38/457027638.db2.gz RUQDRPRSROVOCU-UHFFFAOYSA-N 2 2 337.814 3.446 20 0 EGADLP C[NH+](C)[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000346576481 457054006 /nfs/dbraw/zinc/05/40/06/457054006.db2.gz QINARTLPPBLFDE-QGZVFWFLSA-N 2 2 346.862 3.003 20 0 EGADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000359103338 457055390 /nfs/dbraw/zinc/05/53/90/457055390.db2.gz HPMHERDTYLNGPX-HNNXBMFYSA-N 3 2 335.458 3.115 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@@H+]1C1CC1 ZINC000346658770 457097173 /nfs/dbraw/zinc/09/71/73/457097173.db2.gz POFSWBCULACRRJ-TZMCWYRMSA-N 2 2 328.378 3.299 20 0 EGADLP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000346658770 457097176 /nfs/dbraw/zinc/09/71/76/457097176.db2.gz POFSWBCULACRRJ-TZMCWYRMSA-N 2 2 328.378 3.299 20 0 EGADLP Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc(C2CC2)[nH+]1 ZINC000346660661 457098493 /nfs/dbraw/zinc/09/84/93/457098493.db2.gz URCCEXSNBZAVPF-MRXNPFEDSA-N 2 2 326.444 3.316 20 0 EGADLP CCc1c(C)[nH+]c2ccccc2c1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000349902637 457101392 /nfs/dbraw/zinc/10/13/92/457101392.db2.gz JTCAYSRXMNWPAN-UHFFFAOYSA-N 2 2 335.455 3.151 20 0 EGADLP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1OC(C)C ZINC000354165196 457102620 /nfs/dbraw/zinc/10/26/20/457102620.db2.gz FOKFOQSGHOVIMX-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1OC(C)C ZINC000354165196 457102626 /nfs/dbraw/zinc/10/26/26/457102626.db2.gz FOKFOQSGHOVIMX-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1OC(C)C ZINC000354165196 457102632 /nfs/dbraw/zinc/10/26/32/457102632.db2.gz FOKFOQSGHOVIMX-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1OC(C)C ZINC000354165196 457102637 /nfs/dbraw/zinc/10/26/37/457102637.db2.gz FOKFOQSGHOVIMX-HXUWFJFHSA-N 2 2 332.488 3.400 20 0 EGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426016 457109216 /nfs/dbraw/zinc/10/92/16/457109216.db2.gz IXLVCOAJJUDHOR-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426016 457109223 /nfs/dbraw/zinc/10/92/23/457109223.db2.gz IXLVCOAJJUDHOR-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426016 457109229 /nfs/dbraw/zinc/10/92/29/457109229.db2.gz IXLVCOAJJUDHOR-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)C1 ZINC000339426016 457109236 /nfs/dbraw/zinc/10/92/36/457109236.db2.gz IXLVCOAJJUDHOR-LJQANCHMSA-N 2 2 329.419 3.398 20 0 EGADLP CSc1cc(Br)ccc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346693094 457114350 /nfs/dbraw/zinc/11/43/50/457114350.db2.gz KSFGOILMTZJOCX-WDEREUQCSA-N 2 2 329.307 3.340 20 0 EGADLP CSc1cc(Br)ccc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346693094 457114354 /nfs/dbraw/zinc/11/43/54/457114354.db2.gz KSFGOILMTZJOCX-WDEREUQCSA-N 2 2 329.307 3.340 20 0 EGADLP CCN(C)c1ccc(CNc2cccc(OCC[NH+](C)C)c2)c[nH+]1 ZINC000359693245 457116505 /nfs/dbraw/zinc/11/65/05/457116505.db2.gz DZIBGEYYIPPQGT-UHFFFAOYSA-N 2 2 328.460 3.090 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354218307 457136986 /nfs/dbraw/zinc/13/69/86/457136986.db2.gz AXFWDFQKHMBVHX-GJZGRUSLSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354218307 457136991 /nfs/dbraw/zinc/13/69/91/457136991.db2.gz AXFWDFQKHMBVHX-GJZGRUSLSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354218307 457136997 /nfs/dbraw/zinc/13/69/97/457136997.db2.gz AXFWDFQKHMBVHX-GJZGRUSLSA-N 2 2 332.467 3.500 20 0 EGADLP CCn1c2cccc(F)c2nc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354218307 457137002 /nfs/dbraw/zinc/13/70/02/457137002.db2.gz AXFWDFQKHMBVHX-GJZGRUSLSA-N 2 2 332.467 3.500 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(CO)c2ccccc2)n1-c1ccccc1 ZINC000342191127 457158919 /nfs/dbraw/zinc/15/89/19/457158919.db2.gz KLDXBPCQLGPFHE-OAQYLSRUSA-N 2 2 335.451 3.221 20 0 EGADLP Cc1cccn2c(CN[C@H](C[NH+](C)C)c3ccc(F)cc3)c[nH+]c12 ZINC000342224730 457179274 /nfs/dbraw/zinc/17/92/74/457179274.db2.gz JGSHBTSBLBVFBH-GOSISDBHSA-N 2 2 326.419 3.174 20 0 EGADLP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000356877195 457193490 /nfs/dbraw/zinc/19/34/90/457193490.db2.gz SCOCQGALURSELC-KRWDZBQOSA-N 2 2 339.483 3.327 20 0 EGADLP CCCCn1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(C)n1 ZINC000356882851 457195886 /nfs/dbraw/zinc/19/58/86/457195886.db2.gz VPQWVASXHWVJFH-UHFFFAOYSA-N 2 2 346.441 3.498 20 0 EGADLP Cc1nn(C)cc1C[NH2+]C[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000342293473 457218022 /nfs/dbraw/zinc/21/80/22/457218022.db2.gz GPBRDMYAVSMFKN-HXUWFJFHSA-N 2 2 328.504 3.320 20 0 EGADLP COC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000360045588 457223689 /nfs/dbraw/zinc/22/36/89/457223689.db2.gz LIIXVOUSDDTUOC-SWLSCSKDSA-N 2 2 327.350 3.268 20 0 EGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC000360079278 457244507 /nfs/dbraw/zinc/24/45/07/457244507.db2.gz MXGNLXHYBBYQER-CABCVRRESA-N 2 2 329.444 3.437 20 0 EGADLP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(OC)c1 ZINC000360079285 457244637 /nfs/dbraw/zinc/24/46/37/457244637.db2.gz MXGNLXHYBBYQER-LSDHHAIUSA-N 2 2 329.444 3.437 20 0 EGADLP CC(C)C[C@H](CN[C@H](c1[nH+]ccn1C)c1cccc(F)c1)[NH+](C)C ZINC000357003700 457269567 /nfs/dbraw/zinc/26/95/67/457269567.db2.gz ZUYUCQIMKPLZCV-MSOLQXFVSA-N 2 2 332.467 3.215 20 0 EGADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)c1cccc(F)c1 ZINC000357036702 457291204 /nfs/dbraw/zinc/29/12/04/457291204.db2.gz JTZPPMDGHVZSJO-DOTOQJQBSA-N 2 2 339.418 3.012 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000342440931 457306023 /nfs/dbraw/zinc/30/60/23/457306023.db2.gz LCYIOCYFVFMCCX-GOSISDBHSA-N 2 2 349.482 3.186 20 0 EGADLP Cc1cc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000342440931 457306027 /nfs/dbraw/zinc/30/60/27/457306027.db2.gz LCYIOCYFVFMCCX-GOSISDBHSA-N 2 2 349.482 3.186 20 0 EGADLP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3[nH+]ccn3C)c2)CC1 ZINC000347241851 457306499 /nfs/dbraw/zinc/30/64/99/457306499.db2.gz XGNVBPBPEGRGMG-INIZCTEOSA-N 2 2 327.476 3.124 20 0 EGADLP CCc1nc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(C)[nH+]1 ZINC000342480312 457327152 /nfs/dbraw/zinc/32/71/52/457327152.db2.gz NKFYGFGQBIGIQV-IAGOWNOFSA-N 2 2 346.519 3.063 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000351979865 457327546 /nfs/dbraw/zinc/32/75/46/457327546.db2.gz YMWRSOZZRLIQNU-PETIARSGSA-N 2 2 346.515 3.183 20 0 EGADLP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000351979865 457327550 /nfs/dbraw/zinc/32/75/50/457327550.db2.gz YMWRSOZZRLIQNU-PETIARSGSA-N 2 2 346.515 3.183 20 0 EGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2c(C)cc(C)cc2C)CC1 ZINC000342491070 457331670 /nfs/dbraw/zinc/33/16/70/457331670.db2.gz JUEKGMMNZOURRO-UHFFFAOYSA-N 2 2 332.488 3.119 20 0 EGADLP CCc1cnc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)s1 ZINC000342512027 457344215 /nfs/dbraw/zinc/34/42/15/457344215.db2.gz OSVOKVDUMOWMLP-UHFFFAOYSA-N 2 2 345.516 3.243 20 0 EGADLP CC[C@@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@H+](C)Cc1ccccc1 ZINC000355394985 457369820 /nfs/dbraw/zinc/36/98/20/457369820.db2.gz CSJQLNKVVWUFDG-SFHVURJKSA-N 2 2 336.439 3.492 20 0 EGADLP CC[C@@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)[N@@H+](C)Cc1ccccc1 ZINC000355394985 457369832 /nfs/dbraw/zinc/36/98/32/457369832.db2.gz CSJQLNKVVWUFDG-SFHVURJKSA-N 2 2 336.439 3.492 20 0 EGADLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1C1CC1 ZINC000360839155 457377854 /nfs/dbraw/zinc/37/78/54/457377854.db2.gz GJTZIEUSJVDURT-UHFFFAOYSA-N 2 2 344.503 3.020 20 0 EGADLP C[C@H](F)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352484474 457404042 /nfs/dbraw/zinc/40/40/42/457404042.db2.gz PULWROKZUSAFCC-LBPRGKRZSA-N 2 2 344.228 3.489 20 0 EGADLP C[C@H](F)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352484474 457404050 /nfs/dbraw/zinc/40/40/50/457404050.db2.gz PULWROKZUSAFCC-LBPRGKRZSA-N 2 2 344.228 3.489 20 0 EGADLP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000383644755 457425276 /nfs/dbraw/zinc/42/52/76/457425276.db2.gz CFYFQYFTCSYXIX-IBGZPJMESA-N 3 2 327.516 3.115 20 0 EGADLP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000383644755 457425281 /nfs/dbraw/zinc/42/52/81/457425281.db2.gz CFYFQYFTCSYXIX-IBGZPJMESA-N 3 2 327.516 3.115 20 0 EGADLP C[C@@H]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c2ccccc2S1 ZINC000352507413 457426869 /nfs/dbraw/zinc/42/68/69/457426869.db2.gz CFGDTFDPFHSDBK-HZPDHXFCSA-N 2 2 347.528 3.107 20 0 EGADLP C[C@@H]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c2ccccc2S1 ZINC000352507413 457426872 /nfs/dbraw/zinc/42/68/72/457426872.db2.gz CFGDTFDPFHSDBK-HZPDHXFCSA-N 2 2 347.528 3.107 20 0 EGADLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cn1 ZINC000352555705 457464374 /nfs/dbraw/zinc/46/43/74/457464374.db2.gz QGCLIYBKALKLTO-IBGZPJMESA-N 2 2 343.446 3.294 20 0 EGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000360981689 457486064 /nfs/dbraw/zinc/48/60/64/457486064.db2.gz NIZPESRIGKPMHD-AWEZNQCLSA-N 2 2 330.428 3.163 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(SC)s3)CC2)c1 ZINC000356192887 457520933 /nfs/dbraw/zinc/52/09/33/457520933.db2.gz MHWZAPIVHWRBPG-UHFFFAOYSA-N 2 2 335.498 3.196 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2ccccn12 ZINC000347600681 457539330 /nfs/dbraw/zinc/53/93/30/457539330.db2.gz VNUMGSPXQHRIIH-ROUUACIJSA-N 2 2 334.467 3.429 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c2ccccn12 ZINC000347600681 457539336 /nfs/dbraw/zinc/53/93/36/457539336.db2.gz VNUMGSPXQHRIIH-ROUUACIJSA-N 2 2 334.467 3.429 20 0 EGADLP O[C@@H](CCc1ccccc1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000347601911 457541983 /nfs/dbraw/zinc/54/19/83/457541983.db2.gz BJOWKUJKBUMIGE-NRFANRHFSA-N 2 2 341.499 3.369 20 0 EGADLP Cc1cccc(OCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1C ZINC000352704566 457545424 /nfs/dbraw/zinc/54/54/24/457545424.db2.gz KODGCJMYRKSALU-UHFFFAOYSA-N 2 2 333.501 3.380 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361073878 457565919 /nfs/dbraw/zinc/56/59/19/457565919.db2.gz RCXQIBTVULFSFH-UHFFFAOYSA-N 2 2 341.455 3.362 20 0 EGADLP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166375 457572597 /nfs/dbraw/zinc/57/25/97/457572597.db2.gz CNCOVPUJFMMGNY-ZWKOTPCHSA-N 2 2 340.471 3.247 20 0 EGADLP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000370166375 457572605 /nfs/dbraw/zinc/57/26/05/457572605.db2.gz CNCOVPUJFMMGNY-ZWKOTPCHSA-N 2 2 340.471 3.247 20 0 EGADLP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000361088372 457575383 /nfs/dbraw/zinc/57/53/83/457575383.db2.gz XXEFKKQWFGHERA-MRXNPFEDSA-N 2 2 348.450 3.425 20 0 EGADLP c1cnn(CCCCC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361089790 457577267 /nfs/dbraw/zinc/57/72/67/457577267.db2.gz YKCFEHUCVYRYGC-UHFFFAOYSA-N 2 2 329.492 3.442 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000361349560 457702454 /nfs/dbraw/zinc/70/24/54/457702454.db2.gz WJXQDYUBOQEPSH-ZWOKBUDYSA-N 2 2 327.472 3.218 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000361349560 457702456 /nfs/dbraw/zinc/70/24/56/457702456.db2.gz WJXQDYUBOQEPSH-ZWOKBUDYSA-N 2 2 327.472 3.218 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000361372947 457708960 /nfs/dbraw/zinc/70/89/60/457708960.db2.gz ARNPYFDYGXKVSI-FYSMJZIKSA-N 2 2 347.528 3.358 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000361372947 457708963 /nfs/dbraw/zinc/70/89/63/457708963.db2.gz ARNPYFDYGXKVSI-FYSMJZIKSA-N 2 2 347.528 3.358 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@@H+]1C1CC1 ZINC000357843511 457709447 /nfs/dbraw/zinc/70/94/47/457709447.db2.gz CRCGPAFTZPSONN-JSGCOSHPSA-N 2 2 343.393 3.084 20 0 EGADLP C[C@H]1C[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1 ZINC000357843511 457709452 /nfs/dbraw/zinc/70/94/52/457709452.db2.gz CRCGPAFTZPSONN-JSGCOSHPSA-N 2 2 343.393 3.084 20 0 EGADLP C[N@H+](Cc1ccccc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957422 457747365 /nfs/dbraw/zinc/74/73/65/457747365.db2.gz IFKZPKILKSUHES-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[N@@H+](Cc1ccccc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957422 457747368 /nfs/dbraw/zinc/74/73/68/457747368.db2.gz IFKZPKILKSUHES-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[NH+](Cc1ccccc1Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425957422 457747369 /nfs/dbraw/zinc/74/73/69/457747369.db2.gz IFKZPKILKSUHES-FQEVSTJZSA-N 2 2 344.886 3.409 20 0 EGADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C/C=C/c2ccncc2)CC1 ZINC000426145053 457777450 /nfs/dbraw/zinc/77/74/50/457777450.db2.gz HXALWTXOYMVFNS-KOXUSJRISA-N 2 2 336.483 3.476 20 0 EGADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C/C=C/c2ccncc2)CC1 ZINC000426145053 457777457 /nfs/dbraw/zinc/77/74/57/457777457.db2.gz HXALWTXOYMVFNS-KOXUSJRISA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](C/C=C/c2ccncc2)CC1 ZINC000426145053 457777465 /nfs/dbraw/zinc/77/74/65/457777465.db2.gz HXALWTXOYMVFNS-KOXUSJRISA-N 2 2 336.483 3.476 20 0 EGADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](C/C=C/c2ccncc2)CC1 ZINC000426145053 457777470 /nfs/dbraw/zinc/77/74/70/457777470.db2.gz HXALWTXOYMVFNS-KOXUSJRISA-N 2 2 336.483 3.476 20 0 EGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)nnn1-c1ccccc1 ZINC000358091703 457779878 /nfs/dbraw/zinc/77/98/78/457779878.db2.gz VIRDFOOVTWUOTH-OAHLLOKOSA-N 2 2 327.476 3.099 20 0 EGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)nnn1-c1ccccc1 ZINC000358091702 457780862 /nfs/dbraw/zinc/78/08/62/457780862.db2.gz VIRDFOOVTWUOTH-HNNXBMFYSA-N 2 2 327.476 3.099 20 0 EGADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665442 457784030 /nfs/dbraw/zinc/78/40/30/457784030.db2.gz JZTQRQQUNCAOBA-FFZOFVMBSA-N 2 2 349.563 3.218 20 0 EGADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C1CCC1 ZINC000457665442 457784037 /nfs/dbraw/zinc/78/40/37/457784037.db2.gz JZTQRQQUNCAOBA-FFZOFVMBSA-N 2 2 349.563 3.218 20 0 EGADLP CCCc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000443878867 457818798 /nfs/dbraw/zinc/81/87/98/457818798.db2.gz BSMQDFWDUFXNBC-UHFFFAOYSA-N 2 2 335.455 3.233 20 0 EGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1C ZINC000375269327 457858133 /nfs/dbraw/zinc/85/81/33/457858133.db2.gz PWQVZJOXOYNBNO-OAHLLOKOSA-N 2 2 340.471 3.343 20 0 EGADLP CC(C)(C)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301641 457870913 /nfs/dbraw/zinc/87/09/13/457870913.db2.gz HCVHKJVSMQMXPV-AEFFLSMTSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000375301641 457870920 /nfs/dbraw/zinc/87/09/20/457870920.db2.gz HCVHKJVSMQMXPV-AEFFLSMTSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000375301641 457870925 /nfs/dbraw/zinc/87/09/25/457870925.db2.gz HCVHKJVSMQMXPV-AEFFLSMTSA-N 2 2 328.504 3.223 20 0 EGADLP CC(C)(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000375301641 457870931 /nfs/dbraw/zinc/87/09/31/457870931.db2.gz HCVHKJVSMQMXPV-AEFFLSMTSA-N 2 2 328.504 3.223 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250041 457887574 /nfs/dbraw/zinc/88/75/74/457887574.db2.gz KVZSDWGTIOJTSE-FOIQADDNSA-N 2 2 344.430 3.335 20 0 EGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000358250041 457887578 /nfs/dbraw/zinc/88/75/78/457887578.db2.gz KVZSDWGTIOJTSE-FOIQADDNSA-N 2 2 344.430 3.335 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000361828743 457890132 /nfs/dbraw/zinc/89/01/32/457890132.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 3 2 338.499 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000361828743 457890140 /nfs/dbraw/zinc/89/01/40/457890140.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 3 2 338.499 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000361828743 457890149 /nfs/dbraw/zinc/89/01/49/457890149.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 3 2 338.499 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000361828743 457890157 /nfs/dbraw/zinc/89/01/57/457890157.db2.gz GTDCESOZUSDIQJ-LJQANCHMSA-N 3 2 338.499 3.344 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000361826953 457890417 /nfs/dbraw/zinc/89/04/17/457890417.db2.gz DPQUJYTWKLNIGC-HZPDHXFCSA-N 2 2 339.361 3.068 20 0 EGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000361826953 457890422 /nfs/dbraw/zinc/89/04/22/457890422.db2.gz DPQUJYTWKLNIGC-HZPDHXFCSA-N 2 2 339.361 3.068 20 0 EGADLP CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)s1 ZINC000358304304 457921174 /nfs/dbraw/zinc/92/11/74/457921174.db2.gz SSGHQSPSIAYQNN-AWEZNQCLSA-N 2 2 348.516 3.453 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876085 457922799 /nfs/dbraw/zinc/92/27/99/457922799.db2.gz CQBRCLOGBJEZCG-OXJNMPFZSA-N 2 2 328.431 3.113 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000361876085 457922806 /nfs/dbraw/zinc/92/28/06/457922806.db2.gz CQBRCLOGBJEZCG-OXJNMPFZSA-N 2 2 328.431 3.113 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000361879072 457925908 /nfs/dbraw/zinc/92/59/08/457925908.db2.gz FUMYQMHBNFVVDA-OXQOHEQNSA-N 2 2 328.456 3.130 20 0 EGADLP CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000361879072 457925913 /nfs/dbraw/zinc/92/59/13/457925913.db2.gz FUMYQMHBNFVVDA-OXQOHEQNSA-N 2 2 328.456 3.130 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000367195314 457932055 /nfs/dbraw/zinc/93/20/55/457932055.db2.gz MMQKVEKJUCXCIU-QGZVFWFLSA-N 2 2 349.544 3.002 20 0 EGADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000367195314 457932061 /nfs/dbraw/zinc/93/20/61/457932061.db2.gz MMQKVEKJUCXCIU-QGZVFWFLSA-N 2 2 349.544 3.002 20 0 EGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000361890247 457933774 /nfs/dbraw/zinc/93/37/74/457933774.db2.gz DRRGARURXHWQBI-MGPUTAFESA-N 2 2 346.421 3.252 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427130792 457946533 /nfs/dbraw/zinc/94/65/33/457946533.db2.gz LWOPPKPSYNXREU-APWZRJJASA-N 2 2 338.499 3.354 20 0 EGADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427130792 457946542 /nfs/dbraw/zinc/94/65/42/457946542.db2.gz LWOPPKPSYNXREU-APWZRJJASA-N 2 2 338.499 3.354 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000411720866 457962676 /nfs/dbraw/zinc/96/26/76/457962676.db2.gz QWXIPTNUABJUTB-RTWAWAEBSA-N 2 2 344.499 3.052 20 0 EGADLP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000411720866 457962685 /nfs/dbraw/zinc/96/26/85/457962685.db2.gz QWXIPTNUABJUTB-RTWAWAEBSA-N 2 2 344.499 3.052 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599169 457965659 /nfs/dbraw/zinc/96/56/59/457965659.db2.gz UKKIUDMPYZEFCN-AEFFLSMTSA-N 2 2 334.508 3.122 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CCCO1 ZINC000367599169 457965664 /nfs/dbraw/zinc/96/56/64/457965664.db2.gz UKKIUDMPYZEFCN-AEFFLSMTSA-N 2 2 334.508 3.122 20 0 EGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N[C@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873807 457991121 /nfs/dbraw/zinc/99/11/21/457991121.db2.gz JOCYSTXESRZLDO-NVXWUHKLSA-N 2 2 341.421 3.048 20 0 EGADLP C[NH+]1CCC([N@H+]2CC[C@@H](N[C@H](c3ccccc3)C(F)(F)F)C2)CC1 ZINC000367873807 457991127 /nfs/dbraw/zinc/99/11/27/457991127.db2.gz JOCYSTXESRZLDO-NVXWUHKLSA-N 2 2 341.421 3.048 20 0 EGADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418857 457991267 /nfs/dbraw/zinc/99/12/67/457991267.db2.gz GEFRWZYDOLBEOZ-MSOLQXFVSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418857 457991272 /nfs/dbraw/zinc/99/12/72/457991272.db2.gz GEFRWZYDOLBEOZ-MSOLQXFVSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418858 457991600 /nfs/dbraw/zinc/99/16/00/457991600.db2.gz GEFRWZYDOLBEOZ-QZTJIDSGSA-N 2 2 349.906 3.076 20 0 EGADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc(Cl)c1 ZINC000434418858 457991607 /nfs/dbraw/zinc/99/16/07/457991607.db2.gz GEFRWZYDOLBEOZ-QZTJIDSGSA-N 2 2 349.906 3.076 20 0 EGADLP Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000361990182 457993798 /nfs/dbraw/zinc/99/37/98/457993798.db2.gz ZWSFYOSQYWPFPD-LJQANCHMSA-N 2 2 349.413 3.403 20 0 EGADLP COc1cccc(NC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000362048104 458024696 /nfs/dbraw/zinc/02/46/96/458024696.db2.gz VERTYSRRMBZFOS-UHFFFAOYSA-N 2 2 336.439 3.419 20 0 EGADLP C[N@@H+](Cc1ccncc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434735862 458043698 /nfs/dbraw/zinc/04/36/98/458043698.db2.gz JNODYBUICPELFQ-WMZOPIPTSA-N 2 2 330.863 3.255 20 0 EGADLP C[N@H+](Cc1ccncc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434735862 458043706 /nfs/dbraw/zinc/04/37/06/458043706.db2.gz JNODYBUICPELFQ-WMZOPIPTSA-N 2 2 330.863 3.255 20 0 EGADLP C[NH+](Cc1ccncc1Cl)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434735862 458043707 /nfs/dbraw/zinc/04/37/07/458043707.db2.gz JNODYBUICPELFQ-WMZOPIPTSA-N 2 2 330.863 3.255 20 0 EGADLP C[NH+](Cc1ccncc1Cl)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434735862 458043716 /nfs/dbraw/zinc/04/37/16/458043716.db2.gz JNODYBUICPELFQ-WMZOPIPTSA-N 2 2 330.863 3.255 20 0 EGADLP CC(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000427863363 458045788 /nfs/dbraw/zinc/04/57/88/458045788.db2.gz YOLPHOUHYGTFSE-CXAGYDPISA-N 2 2 326.400 3.032 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783360 458063885 /nfs/dbraw/zinc/06/38/85/458063885.db2.gz CVVIBOIQSCJPNR-SJPCQFCGSA-N 2 2 329.488 3.306 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783360 458063892 /nfs/dbraw/zinc/06/38/92/458063892.db2.gz CVVIBOIQSCJPNR-SJPCQFCGSA-N 2 2 329.488 3.306 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375783360 458063898 /nfs/dbraw/zinc/06/38/98/458063898.db2.gz CVVIBOIQSCJPNR-SJPCQFCGSA-N 2 2 329.488 3.306 20 0 EGADLP CC(C)c1ccccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375783360 458063904 /nfs/dbraw/zinc/06/39/04/458063904.db2.gz CVVIBOIQSCJPNR-SJPCQFCGSA-N 2 2 329.488 3.306 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031493 458069103 /nfs/dbraw/zinc/06/91/03/458069103.db2.gz LBCLMVQPFRMIHI-BQFCYCMXSA-N 2 2 329.488 3.129 20 0 EGADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031493 458069106 /nfs/dbraw/zinc/06/91/06/458069106.db2.gz LBCLMVQPFRMIHI-BQFCYCMXSA-N 2 2 329.488 3.129 20 0 EGADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000435368451 458120495 /nfs/dbraw/zinc/12/04/95/458120495.db2.gz AMQVUASZWJXNMX-HUUCEWRRSA-N 2 2 331.485 3.200 20 0 EGADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)cc1 ZINC000435368451 458120496 /nfs/dbraw/zinc/12/04/96/458120496.db2.gz AMQVUASZWJXNMX-HUUCEWRRSA-N 2 2 331.485 3.200 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435368850 458120831 /nfs/dbraw/zinc/12/08/31/458120831.db2.gz CFIVPTXLXJZYPT-HNNXBMFYSA-N 2 2 338.377 3.075 20 0 EGADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000435368850 458120836 /nfs/dbraw/zinc/12/08/36/458120836.db2.gz CFIVPTXLXJZYPT-HNNXBMFYSA-N 2 2 338.377 3.075 20 0 EGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000435376087 458126572 /nfs/dbraw/zinc/12/65/72/458126572.db2.gz PLLFYMQFGGLFOU-GOSISDBHSA-N 2 2 332.451 3.381 20 0 EGADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000435376087 458126580 /nfs/dbraw/zinc/12/65/80/458126580.db2.gz PLLFYMQFGGLFOU-GOSISDBHSA-N 2 2 332.451 3.381 20 0 EGADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000428362853 458127437 /nfs/dbraw/zinc/12/74/37/458127437.db2.gz JTIZMYUSPKCYPO-MRXNPFEDSA-N 2 2 333.524 3.405 20 0 EGADLP CC(C)c1nnc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)[nH]1 ZINC000428362853 458127441 /nfs/dbraw/zinc/12/74/41/458127441.db2.gz JTIZMYUSPKCYPO-MRXNPFEDSA-N 2 2 333.524 3.405 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(-c3cnn(C)c3)s1)CCC2 ZINC000369215700 458127939 /nfs/dbraw/zinc/12/79/39/458127939.db2.gz RBRGFUVYCVRKHQ-AWEZNQCLSA-N 2 2 341.484 3.321 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[NH2+]CC1 ZINC000435389672 458133499 /nfs/dbraw/zinc/13/34/99/458133499.db2.gz NXEAPLHFVAALFN-UHFFFAOYSA-N 2 2 326.488 3.024 20 0 EGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[NH2+]CC1 ZINC000435389672 458133505 /nfs/dbraw/zinc/13/35/05/458133505.db2.gz NXEAPLHFVAALFN-UHFFFAOYSA-N 2 2 326.488 3.024 20 0 EGADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c[nH+]1 ZINC000458751691 458159536 /nfs/dbraw/zinc/15/95/36/458159536.db2.gz AUOVRKLFQXZWJB-QFBILLFUSA-N 2 2 340.471 3.189 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000369305821 458166098 /nfs/dbraw/zinc/16/60/98/458166098.db2.gz MRTDQGGHQVDTPV-OYRHEFFESA-N 3 2 338.499 3.036 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000369305821 458166107 /nfs/dbraw/zinc/16/61/07/458166107.db2.gz MRTDQGGHQVDTPV-OYRHEFFESA-N 3 2 338.499 3.036 20 0 EGADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622236 458173924 /nfs/dbraw/zinc/17/39/24/458173924.db2.gz CIFFGDXCAZNCCX-TZIWHRDSSA-N 2 2 343.515 3.108 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622236 458173930 /nfs/dbraw/zinc/17/39/30/458173930.db2.gz CIFFGDXCAZNCCX-TZIWHRDSSA-N 2 2 343.515 3.108 20 0 EGADLP CC[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369334846 458175912 /nfs/dbraw/zinc/17/59/12/458175912.db2.gz JEWNDFRUIQKCAH-QUCCMNQESA-N 2 2 349.563 3.220 20 0 EGADLP CC[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369334846 458175918 /nfs/dbraw/zinc/17/59/18/458175918.db2.gz JEWNDFRUIQKCAH-QUCCMNQESA-N 2 2 349.563 3.220 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065976 458181455 /nfs/dbraw/zinc/18/14/55/458181455.db2.gz UVPXFTXQPBQDPU-BJJXKVORSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(OC(F)(F)F)c1 ZINC000372065976 458181465 /nfs/dbraw/zinc/18/14/65/458181465.db2.gz UVPXFTXQPBQDPU-BJJXKVORSA-N 2 2 344.377 3.099 20 0 EGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@H](C)O1 ZINC000428861912 458223576 /nfs/dbraw/zinc/22/35/76/458223576.db2.gz LRGRBSHLOZHBCX-BETUJISGSA-N 2 2 337.464 3.024 20 0 EGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@H](C)O1 ZINC000428861912 458223580 /nfs/dbraw/zinc/22/35/80/458223580.db2.gz LRGRBSHLOZHBCX-BETUJISGSA-N 2 2 337.464 3.024 20 0 EGADLP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831245 458232706 /nfs/dbraw/zinc/23/27/06/458232706.db2.gz BZQCEOYUPHQTBN-WOJBJXKFSA-N 2 2 343.515 3.156 20 0 EGADLP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C2CCCC2)cc1 ZINC000446831245 458232714 /nfs/dbraw/zinc/23/27/14/458232714.db2.gz BZQCEOYUPHQTBN-WOJBJXKFSA-N 2 2 343.515 3.156 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000446890853 458242546 /nfs/dbraw/zinc/24/25/46/458242546.db2.gz QDHBJGMNPGAUBP-GHTZIAJQSA-N 3 2 341.543 3.361 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000446890853 458242552 /nfs/dbraw/zinc/24/25/52/458242552.db2.gz QDHBJGMNPGAUBP-GHTZIAJQSA-N 3 2 341.543 3.361 20 0 EGADLP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000428986133 458247971 /nfs/dbraw/zinc/24/79/71/458247971.db2.gz MSXJGDGBJLZGRS-SFHVURJKSA-N 2 2 342.487 3.455 20 0 EGADLP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000428986133 458247976 /nfs/dbraw/zinc/24/79/76/458247976.db2.gz MSXJGDGBJLZGRS-SFHVURJKSA-N 2 2 342.487 3.455 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000428986133 458247981 /nfs/dbraw/zinc/24/79/81/458247981.db2.gz MSXJGDGBJLZGRS-SFHVURJKSA-N 2 2 342.487 3.455 20 0 EGADLP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000428986133 458247991 /nfs/dbraw/zinc/24/79/91/458247991.db2.gz MSXJGDGBJLZGRS-SFHVURJKSA-N 2 2 342.487 3.455 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000372274694 458258562 /nfs/dbraw/zinc/25/85/62/458258562.db2.gz RTXAXTZSGQTJEL-YLJYHZDGSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000372274694 458258565 /nfs/dbraw/zinc/25/85/65/458258565.db2.gz RTXAXTZSGQTJEL-YLJYHZDGSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000372274694 458258567 /nfs/dbraw/zinc/25/85/67/458258567.db2.gz RTXAXTZSGQTJEL-YLJYHZDGSA-N 2 2 337.467 3.283 20 0 EGADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000372274694 458258570 /nfs/dbraw/zinc/25/85/70/458258570.db2.gz RTXAXTZSGQTJEL-YLJYHZDGSA-N 2 2 337.467 3.283 20 0 EGADLP C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027448 458261443 /nfs/dbraw/zinc/26/14/43/458261443.db2.gz ZRMMAUPSUJPKOT-LVCYWYKZSA-N 2 2 338.499 3.094 20 0 EGADLP C[C@H]1C[C@H]1[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H](C)C1 ZINC000429027448 458261450 /nfs/dbraw/zinc/26/14/50/458261450.db2.gz ZRMMAUPSUJPKOT-LVCYWYKZSA-N 2 2 338.499 3.094 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000436271272 458279277 /nfs/dbraw/zinc/27/92/77/458279277.db2.gz DALYUBLCSUQHDZ-FQEVSTJZSA-N 2 2 339.483 3.263 20 0 EGADLP COc1ccc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000436271272 458279281 /nfs/dbraw/zinc/27/92/81/458279281.db2.gz DALYUBLCSUQHDZ-FQEVSTJZSA-N 2 2 339.483 3.263 20 0 EGADLP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000436284653 458282420 /nfs/dbraw/zinc/28/24/20/458282420.db2.gz MTXHLZMCIHTYTC-OALUTQOASA-N 2 2 343.515 3.020 20 0 EGADLP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000436284653 458282426 /nfs/dbraw/zinc/28/24/26/458282426.db2.gz MTXHLZMCIHTYTC-OALUTQOASA-N 2 2 343.515 3.020 20 0 EGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469522 458309343 /nfs/dbraw/zinc/30/93/43/458309343.db2.gz RZGRJFQIAUEARU-YLJYHZDGSA-N 3 2 327.516 3.286 20 0 EGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)C1 ZINC000376469522 458309348 /nfs/dbraw/zinc/30/93/48/458309348.db2.gz RZGRJFQIAUEARU-YLJYHZDGSA-N 3 2 327.516 3.286 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000376502227 458319959 /nfs/dbraw/zinc/31/99/59/458319959.db2.gz OTLIJTYECFCNGZ-OAHLLOKOSA-N 2 2 342.491 3.298 20 0 EGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000376502227 458319962 /nfs/dbraw/zinc/31/99/62/458319962.db2.gz OTLIJTYECFCNGZ-OAHLLOKOSA-N 2 2 342.491 3.298 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531087 458340625 /nfs/dbraw/zinc/34/06/25/458340625.db2.gz AANKUISAFCGLJN-RDJZCZTQSA-N 2 2 349.544 3.000 20 0 EGADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429531087 458340630 /nfs/dbraw/zinc/34/06/30/458340630.db2.gz AANKUISAFCGLJN-RDJZCZTQSA-N 2 2 349.544 3.000 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429541997 458342937 /nfs/dbraw/zinc/34/29/37/458342937.db2.gz WWBMUNDMBJGQPO-YQVWRLOYSA-N 2 2 343.515 3.159 20 0 EGADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429541997 458342938 /nfs/dbraw/zinc/34/29/38/458342938.db2.gz WWBMUNDMBJGQPO-YQVWRLOYSA-N 2 2 343.515 3.159 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543475 458342941 /nfs/dbraw/zinc/34/29/41/458342941.db2.gz UWWSPRUHEBKUIL-ZWKOTPCHSA-N 2 2 331.504 3.355 20 0 EGADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1 ZINC000429543475 458342943 /nfs/dbraw/zinc/34/29/43/458342943.db2.gz UWWSPRUHEBKUIL-ZWKOTPCHSA-N 2 2 331.504 3.355 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)no1 ZINC000459431605 458368843 /nfs/dbraw/zinc/36/88/43/458368843.db2.gz MGBHXMGQUGLRFY-UHFFFAOYSA-N 2 2 325.412 3.498 20 0 EGADLP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)no1 ZINC000459431605 458368847 /nfs/dbraw/zinc/36/88/47/458368847.db2.gz MGBHXMGQUGLRFY-UHFFFAOYSA-N 2 2 325.412 3.498 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448021993 458380032 /nfs/dbraw/zinc/38/00/32/458380032.db2.gz LXEQOZZERPELNX-CRAIPNDOSA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448021993 458380037 /nfs/dbraw/zinc/38/00/37/458380037.db2.gz LXEQOZZERPELNX-CRAIPNDOSA-N 2 2 347.503 3.122 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)cc1OC ZINC000448020635 458380069 /nfs/dbraw/zinc/38/00/69/458380069.db2.gz DAGUHTUXBDQJMO-KXBFYZLASA-N 2 2 334.504 3.345 20 0 EGADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1OC ZINC000448020635 458380078 /nfs/dbraw/zinc/38/00/78/458380078.db2.gz DAGUHTUXBDQJMO-KXBFYZLASA-N 2 2 334.504 3.345 20 0 EGADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1OCc1cccnc1)CCCC2 ZINC000376755564 458384439 /nfs/dbraw/zinc/38/44/39/458384439.db2.gz AEEPCBYUZYYKBX-UHFFFAOYSA-N 2 2 348.450 3.483 20 0 EGADLP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000376757315 458384993 /nfs/dbraw/zinc/38/49/93/458384993.db2.gz HQXCTCSUYAAMPS-INIZCTEOSA-N 2 2 342.405 3.387 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CCO1 ZINC000430227243 458424683 /nfs/dbraw/zinc/42/46/83/458424683.db2.gz OFZKDDKFDCGXAX-QGZVFWFLSA-N 2 2 328.500 3.251 20 0 EGADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)CCO1 ZINC000430227243 458424684 /nfs/dbraw/zinc/42/46/84/458424684.db2.gz OFZKDDKFDCGXAX-QGZVFWFLSA-N 2 2 328.500 3.251 20 0 EGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000437110747 458427711 /nfs/dbraw/zinc/42/77/11/458427711.db2.gz NCBFOEBWLPECAJ-NSHDSACASA-N 2 2 347.322 3.272 20 0 EGADLP C[C@@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423433060 458432717 /nfs/dbraw/zinc/43/27/17/458432717.db2.gz OZUYHPYHNBENDJ-DNVCBOLYSA-N 2 2 340.471 3.347 20 0 EGADLP COC[C@@]1(C[NH2+][C@H](C)c2cc(Br)ccc2F)CCC[NH2+]1 ZINC000423447526 458434604 /nfs/dbraw/zinc/43/46/04/458434604.db2.gz ZUCGHGPIHNHDOE-ABAIWWIYSA-N 2 2 345.256 3.007 20 0 EGADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000423497053 458443583 /nfs/dbraw/zinc/44/35/83/458443583.db2.gz FXCBOVJNKMXIIQ-DNVCBOLYSA-N 2 2 335.455 3.180 20 0 EGADLP Cc1c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cnn1C(C)(C)C ZINC000423509328 458447763 /nfs/dbraw/zinc/44/77/63/458447763.db2.gz JMBRPIJROFZJSH-ZOCIIQOWSA-N 2 2 326.488 3.353 20 0 EGADLP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000459693857 458450726 /nfs/dbraw/zinc/45/07/26/458450726.db2.gz HYGPPFXDDVEBKN-HNNXBMFYSA-N 2 2 342.405 3.169 20 0 EGADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)cc1 ZINC000423543153 458454648 /nfs/dbraw/zinc/45/46/48/458454648.db2.gz BNPDMTNDZIHOIR-ROUUACIJSA-N 2 2 334.822 3.147 20 0 EGADLP [NH3+]C1(C[NH2+][C@H]2CCC23CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000423548205 458456371 /nfs/dbraw/zinc/45/63/71/458456371.db2.gz DUHKPVPNMXLHNT-IBGZPJMESA-N 3 2 327.516 3.292 20 0 EGADLP Clc1ccccc1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000423577660 458458614 /nfs/dbraw/zinc/45/86/14/458458614.db2.gz SKWBVXWNDIPMCC-RDJZCZTQSA-N 2 2 336.888 3.263 20 0 EGADLP COC(=O)c1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000377088970 458459474 /nfs/dbraw/zinc/45/94/74/458459474.db2.gz FSKLLIMUKGYNLI-UHFFFAOYSA-N 2 2 340.423 3.220 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430557446 458460571 /nfs/dbraw/zinc/46/05/71/458460571.db2.gz NHKKLUHMIGRXNE-LBPRGKRZSA-N 2 2 336.867 3.292 20 0 EGADLP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430557446 458460579 /nfs/dbraw/zinc/46/05/79/458460579.db2.gz NHKKLUHMIGRXNE-LBPRGKRZSA-N 2 2 336.867 3.292 20 0 EGADLP C[C@](C[NH3+])([NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC1 ZINC000430556481 458460929 /nfs/dbraw/zinc/46/09/29/458460929.db2.gz ULVWPUJPYYTVSD-HXUWFJFHSA-N 2 2 335.536 3.197 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430577955 458464854 /nfs/dbraw/zinc/46/48/54/458464854.db2.gz YKQLXRCDPPZFIX-SRVKXCTJSA-N 2 2 344.286 3.380 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000430577955 458464857 /nfs/dbraw/zinc/46/48/57/458464857.db2.gz YKQLXRCDPPZFIX-SRVKXCTJSA-N 2 2 344.286 3.380 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430585455 458466733 /nfs/dbraw/zinc/46/67/33/458466733.db2.gz SKDJNPYLEKBEOK-YNEHKIRRSA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430585455 458466735 /nfs/dbraw/zinc/46/67/35/458466735.db2.gz SKDJNPYLEKBEOK-YNEHKIRRSA-N 2 2 343.393 3.092 20 0 EGADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430593218 458468457 /nfs/dbraw/zinc/46/84/57/458468457.db2.gz OMAZJMXFIGOEGN-OAQYLSRUSA-N 2 2 343.515 3.108 20 0 EGADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000430593218 458468461 /nfs/dbraw/zinc/46/84/61/458468461.db2.gz OMAZJMXFIGOEGN-OAQYLSRUSA-N 2 2 343.515 3.108 20 0 EGADLP COc1ccc(C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@H](C)C2CC2)cc1 ZINC000430595848 458469571 /nfs/dbraw/zinc/46/95/71/458469571.db2.gz INHCFLKHVLQKCM-CYBMUJFWSA-N 2 2 344.459 3.073 20 0 EGADLP COc1ccc(C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)[C@H](C)C2CC2)cc1 ZINC000430595848 458469575 /nfs/dbraw/zinc/46/95/75/458469575.db2.gz INHCFLKHVLQKCM-CYBMUJFWSA-N 2 2 344.459 3.073 20 0 EGADLP Cc1ccc(CCC2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000430596301 458469765 /nfs/dbraw/zinc/46/97/65/458469765.db2.gz ZZJBDZKTSAVLBN-UHFFFAOYSA-N 2 2 342.487 3.417 20 0 EGADLP C[N@H+](C[C@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758522 458470852 /nfs/dbraw/zinc/47/08/52/458470852.db2.gz VLGNGDHLRPXOQZ-VQTJNVASSA-N 2 2 328.500 3.449 20 0 EGADLP C[N@@H+](C[C@H](O)C[NH+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758522 458470856 /nfs/dbraw/zinc/47/08/56/458470856.db2.gz VLGNGDHLRPXOQZ-VQTJNVASSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758522 458470860 /nfs/dbraw/zinc/47/08/60/458470860.db2.gz VLGNGDHLRPXOQZ-VQTJNVASSA-N 2 2 328.500 3.449 20 0 EGADLP C[NH+](C[C@H](O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)C1CC1 ZINC000459758522 458470863 /nfs/dbraw/zinc/47/08/63/458470863.db2.gz VLGNGDHLRPXOQZ-VQTJNVASSA-N 2 2 328.500 3.449 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616811 458471579 /nfs/dbraw/zinc/47/15/79/458471579.db2.gz HZIRCWHZFIVESH-VQIMIIECSA-N 2 2 329.488 3.014 20 0 EGADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430616811 458471582 /nfs/dbraw/zinc/47/15/82/458471582.db2.gz HZIRCWHZFIVESH-VQIMIIECSA-N 2 2 329.488 3.014 20 0 EGADLP C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430972873 458512505 /nfs/dbraw/zinc/51/25/05/458512505.db2.gz RWWWWCJCUQRPON-LKUPVBHCSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000430972873 458512509 /nfs/dbraw/zinc/51/25/09/458512509.db2.gz RWWWWCJCUQRPON-LKUPVBHCSA-N 2 2 343.515 3.093 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430968253 458512645 /nfs/dbraw/zinc/51/26/45/458512645.db2.gz WKGWECVOUMOUPW-AVGNSLFASA-N 2 2 343.393 3.092 20 0 EGADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430968253 458512646 /nfs/dbraw/zinc/51/26/46/458512646.db2.gz WKGWECVOUMOUPW-AVGNSLFASA-N 2 2 343.393 3.092 20 0 EGADLP CCc1[nH+]c2cc(CNC(=O)C3([NH3+])CCCCC3)ccc2n1C1CC1 ZINC000423928381 458514499 /nfs/dbraw/zinc/51/44/99/458514499.db2.gz HGMJRGFFTAYVHY-UHFFFAOYSA-N 2 2 340.471 3.211 20 0 EGADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555838 458526839 /nfs/dbraw/zinc/52/68/39/458526839.db2.gz RCBDTJTVBMTOSW-YOEHRIQHSA-N 2 2 344.421 3.337 20 0 EGADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccc(C(F)(F)F)c2)C1 ZINC000468555838 458526844 /nfs/dbraw/zinc/52/68/44/458526844.db2.gz RCBDTJTVBMTOSW-YOEHRIQHSA-N 2 2 344.421 3.337 20 0 EGADLP Cc1nc([C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377821071 458541063 /nfs/dbraw/zinc/54/10/63/458541063.db2.gz KJNIKUXGQCKIPK-INIZCTEOSA-N 2 2 340.471 3.427 20 0 EGADLP Cc1nc([C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000377821071 458541067 /nfs/dbraw/zinc/54/10/67/458541067.db2.gz KJNIKUXGQCKIPK-INIZCTEOSA-N 2 2 340.471 3.427 20 0 EGADLP C[C@@H]1C[C@H](C)N(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C[NH3+] ZINC000424054480 458546992 /nfs/dbraw/zinc/54/69/92/458546992.db2.gz ARQSXRGNHGBVGH-HLLBOEOZSA-N 2 2 339.439 3.319 20 0 EGADLP [NH3+][C@H](CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)CC1CCCCC1 ZINC000424144831 458570749 /nfs/dbraw/zinc/57/07/49/458570749.db2.gz MEBVYFVEQBKSRW-QGZVFWFLSA-N 2 2 332.492 3.194 20 0 EGADLP [NH3+][C@H](CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)CC1CCCCC1 ZINC000424144831 458570752 /nfs/dbraw/zinc/57/07/52/458570752.db2.gz MEBVYFVEQBKSRW-QGZVFWFLSA-N 2 2 332.492 3.194 20 0 EGADLP Cc1cc(F)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(F)c1 ZINC000424148023 458570760 /nfs/dbraw/zinc/57/07/60/458570760.db2.gz SSLNUTAHAGPLSX-UHFFFAOYSA-N 2 2 326.431 3.252 20 0 EGADLP COC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000493800018 458571412 /nfs/dbraw/zinc/57/14/12/458571412.db2.gz XKWIJIDXTGQJNJ-DAYGRLMNSA-N 2 2 340.895 3.116 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@H+](C)Cc1ccccc1 ZINC000493929620 458600774 /nfs/dbraw/zinc/60/07/74/458600774.db2.gz ZBTGIARCXQOTLI-MTFMMBMASA-N 2 2 328.500 3.444 20 0 EGADLP C[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[N@@H+](C)Cc1ccccc1 ZINC000493929620 458600782 /nfs/dbraw/zinc/60/07/82/458600782.db2.gz ZBTGIARCXQOTLI-MTFMMBMASA-N 2 2 328.500 3.444 20 0 EGADLP CC[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000493938006 458603581 /nfs/dbraw/zinc/60/35/81/458603581.db2.gz VGZDJBXKNLPYRF-MXEMCNAFSA-N 2 2 340.511 3.371 20 0 EGADLP CC[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[N@H+]1CCc2ccccc2C1 ZINC000493938006 458603585 /nfs/dbraw/zinc/60/35/85/458603585.db2.gz VGZDJBXKNLPYRF-MXEMCNAFSA-N 2 2 340.511 3.371 20 0 EGADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430269 458641496 /nfs/dbraw/zinc/64/14/96/458641496.db2.gz ZPRVCNUDVXLMSC-QGZVFWFLSA-N 2 2 341.459 3.429 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000456355897 458643593 /nfs/dbraw/zinc/64/35/93/458643593.db2.gz OHDKZBJTIKEXQA-CYBMUJFWSA-N 2 2 340.427 3.202 20 0 EGADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000456357974 458644726 /nfs/dbraw/zinc/64/47/26/458644726.db2.gz SRWKYRZITFBRLH-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000456357974 458644733 /nfs/dbraw/zinc/64/47/33/458644733.db2.gz SRWKYRZITFBRLH-QGZVFWFLSA-N 2 2 339.439 3.430 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462813540 458657911 /nfs/dbraw/zinc/65/79/11/458657911.db2.gz ABZNKBLZIHGMCT-MRXNPFEDSA-N 2 2 331.504 3.392 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000462813540 458657917 /nfs/dbraw/zinc/65/79/17/458657917.db2.gz ABZNKBLZIHGMCT-MRXNPFEDSA-N 2 2 331.504 3.392 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000462884119 458664656 /nfs/dbraw/zinc/66/46/56/458664656.db2.gz ZGFAMLSTLHVZOE-HUUCEWRRSA-N 2 2 341.455 3.036 20 0 EGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000462884119 458664661 /nfs/dbraw/zinc/66/46/61/458664661.db2.gz ZGFAMLSTLHVZOE-HUUCEWRRSA-N 2 2 341.455 3.036 20 0 EGADLP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2[nH+]ccn21 ZINC000456403445 458666344 /nfs/dbraw/zinc/66/63/44/458666344.db2.gz FSRSPBCNNMXKIT-MAUKXSAKSA-N 2 2 338.455 3.305 20 0 EGADLP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2[nH+]ccn21 ZINC000456403447 458666512 /nfs/dbraw/zinc/66/65/12/458666512.db2.gz FSRSPBCNNMXKIT-QAPCUYQASA-N 2 2 338.455 3.305 20 0 EGADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000456408949 458667298 /nfs/dbraw/zinc/66/72/98/458667298.db2.gz ZPIOPYAWHRBENO-NVXWUHKLSA-N 2 2 328.460 3.163 20 0 EGADLP COc1cc(Cl)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000494417687 458673984 /nfs/dbraw/zinc/67/39/84/458673984.db2.gz YAFTZTOAMLUICV-LLVKDONJSA-N 2 2 326.227 3.303 20 0 EGADLP CC[C@@H](Nc1cc(C)cc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471687179 458712861 /nfs/dbraw/zinc/71/28/61/458712861.db2.gz IJGSQLWLFIDABF-RTBURBONSA-N 2 2 325.456 3.482 20 0 EGADLP CC[C@@H](Nc1cc(C)cc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471687179 458712864 /nfs/dbraw/zinc/71/28/64/458712864.db2.gz IJGSQLWLFIDABF-RTBURBONSA-N 2 2 325.456 3.482 20 0 EGADLP CCN(CC[NH2+]Cc1c[nH+]c2ccc(C)cn12)CCC(F)(F)F ZINC000494843050 458755637 /nfs/dbraw/zinc/75/56/37/458755637.db2.gz WUABYJJQFNCCTR-UHFFFAOYSA-N 2 2 328.382 3.007 20 0 EGADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547655513 458768872 /nfs/dbraw/zinc/76/88/72/458768872.db2.gz OMPKHPOIBICMBX-DOMZBBRYSA-N 2 2 339.468 3.376 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495008384 458781918 /nfs/dbraw/zinc/78/19/18/458781918.db2.gz RRPHRVQHIYNPKJ-AWEZNQCLSA-N 2 2 330.407 3.065 20 0 EGADLP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495008384 458781924 /nfs/dbraw/zinc/78/19/24/458781924.db2.gz RRPHRVQHIYNPKJ-AWEZNQCLSA-N 2 2 330.407 3.065 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504662 458799560 /nfs/dbraw/zinc/79/95/60/458799560.db2.gz QYRZCJLFQTUWLZ-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000472504662 458799565 /nfs/dbraw/zinc/79/95/65/458799565.db2.gz QYRZCJLFQTUWLZ-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000472504662 458799567 /nfs/dbraw/zinc/79/95/67/458799567.db2.gz QYRZCJLFQTUWLZ-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP Cc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000472504662 458799572 /nfs/dbraw/zinc/79/95/72/458799572.db2.gz QYRZCJLFQTUWLZ-HKUYNNGSSA-N 2 2 343.515 3.294 20 0 EGADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000457118451 458873805 /nfs/dbraw/zinc/87/38/05/458873805.db2.gz MXZDNIRLLXQQRY-KRWDZBQOSA-N 2 2 339.439 3.429 20 0 EGADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000457118451 458873812 /nfs/dbraw/zinc/87/38/12/458873812.db2.gz MXZDNIRLLXQQRY-KRWDZBQOSA-N 2 2 339.439 3.429 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441328115 458919059 /nfs/dbraw/zinc/91/90/59/458919059.db2.gz VNWHTASNOMINHH-MJGOQNOKSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441328115 458919063 /nfs/dbraw/zinc/91/90/63/458919063.db2.gz VNWHTASNOMINHH-MJGOQNOKSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441328115 458919066 /nfs/dbraw/zinc/91/90/66/458919066.db2.gz VNWHTASNOMINHH-MJGOQNOKSA-N 2 2 335.536 3.188 20 0 EGADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441328115 458919072 /nfs/dbraw/zinc/91/90/72/458919072.db2.gz VNWHTASNOMINHH-MJGOQNOKSA-N 2 2 335.536 3.188 20 0 EGADLP CCC[C@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336935 458921920 /nfs/dbraw/zinc/92/19/20/458921920.db2.gz IGUVCMIJDVUAAF-PMACEKPBSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000441336935 458921923 /nfs/dbraw/zinc/92/19/23/458921923.db2.gz IGUVCMIJDVUAAF-PMACEKPBSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000441336935 458921928 /nfs/dbraw/zinc/92/19/28/458921928.db2.gz IGUVCMIJDVUAAF-PMACEKPBSA-N 2 2 345.531 3.450 20 0 EGADLP CCC[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000441336935 458921929 /nfs/dbraw/zinc/92/19/29/458921929.db2.gz IGUVCMIJDVUAAF-PMACEKPBSA-N 2 2 345.531 3.450 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441349758 458924782 /nfs/dbraw/zinc/92/47/82/458924782.db2.gz TWPMIAZVMFZFEJ-IEBWSBKVSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441349758 458924785 /nfs/dbraw/zinc/92/47/85/458924785.db2.gz TWPMIAZVMFZFEJ-IEBWSBKVSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441349758 458924786 /nfs/dbraw/zinc/92/47/86/458924786.db2.gz TWPMIAZVMFZFEJ-IEBWSBKVSA-N 2 2 343.515 3.161 20 0 EGADLP C[C@H](C(=O)N1CCCc2ccccc21)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441349758 458924787 /nfs/dbraw/zinc/92/47/87/458924787.db2.gz TWPMIAZVMFZFEJ-IEBWSBKVSA-N 2 2 343.515 3.161 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000556084192 458926499 /nfs/dbraw/zinc/92/64/99/458926499.db2.gz AASTZRSZMOAPLL-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Cl ZINC000556084192 458926504 /nfs/dbraw/zinc/92/65/04/458926504.db2.gz AASTZRSZMOAPLL-INIZCTEOSA-N 2 2 338.879 3.035 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000441384756 458933326 /nfs/dbraw/zinc/93/33/26/458933326.db2.gz VCQSZLQYWLWKJN-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000441384756 458933332 /nfs/dbraw/zinc/93/33/32/458933332.db2.gz VCQSZLQYWLWKJN-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000441384756 458933337 /nfs/dbraw/zinc/93/33/37/458933337.db2.gz VCQSZLQYWLWKJN-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000441384756 458933341 /nfs/dbraw/zinc/93/33/41/458933341.db2.gz VCQSZLQYWLWKJN-RDJZCZTQSA-N 2 2 335.467 3.267 20 0 EGADLP C[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccon1 ZINC000576923267 458946798 /nfs/dbraw/zinc/94/67/98/458946798.db2.gz NXVPLZSZOQFINS-RHSMWYFYSA-N 2 2 327.428 3.313 20 0 EGADLP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000467358790 458969862 /nfs/dbraw/zinc/96/98/62/458969862.db2.gz MCMMFFNQEONWQK-YADHBBJMSA-N 2 2 338.495 3.153 20 0 EGADLP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000467358790 458969869 /nfs/dbraw/zinc/96/98/69/458969869.db2.gz MCMMFFNQEONWQK-YADHBBJMSA-N 2 2 338.495 3.153 20 0 EGADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1cccc2ccccc21 ZINC000519590614 458970263 /nfs/dbraw/zinc/97/02/63/458970263.db2.gz DHIVSDPODRCQGA-QCUYGVNKSA-N 2 2 325.456 3.143 20 0 EGADLP CCn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CCOCC1 ZINC000577214448 458998861 /nfs/dbraw/zinc/99/88/61/458998861.db2.gz TWXYGKFCAZCTAC-GUDVDZBRSA-N 2 2 340.471 3.105 20 0 EGADLP CC[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CCOCC1 ZINC000531940618 459003118 /nfs/dbraw/zinc/00/31/18/459003118.db2.gz AHCCKBXKULOIGL-KRWDZBQOSA-N 2 2 326.550 3.143 20 0 EGADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)sc1Br ZINC000577373458 459023776 /nfs/dbraw/zinc/02/37/76/459023776.db2.gz RTSMGYMDFNKDQT-CQSZACIVSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)sc1Br ZINC000577373458 459023780 /nfs/dbraw/zinc/02/37/80/459023780.db2.gz RTSMGYMDFNKDQT-CQSZACIVSA-N 2 2 329.307 3.395 20 0 EGADLP Cc1c([C@H](C)[NH2+]CCC[NH2+]C(C)C)nnn1-c1cccc(Cl)c1 ZINC000566967640 459029488 /nfs/dbraw/zinc/02/94/88/459029488.db2.gz VNIJRHAMYGYBEV-ZDUSSCGKSA-N 2 2 335.883 3.268 20 0 EGADLP CCO[C@H](CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000520219950 459041030 /nfs/dbraw/zinc/04/10/30/459041030.db2.gz PJCIKINLWKBEDR-FXAWDEMLSA-N 2 2 347.503 3.055 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]C2CCC(C(F)F)CC2)[N@H+](Cc2ccccc2)C1 ZINC000442814287 459042374 /nfs/dbraw/zinc/04/23/74/459042374.db2.gz CRPCEVLHELOMFZ-HIEASXQVSA-N 2 2 338.442 3.035 20 0 EGADLP O[C@H]1C[C@H](C[NH2+]C2CCC(C(F)F)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000442814287 459042381 /nfs/dbraw/zinc/04/23/81/459042381.db2.gz CRPCEVLHELOMFZ-HIEASXQVSA-N 2 2 338.442 3.035 20 0 EGADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000594516587 459074388 /nfs/dbraw/zinc/07/43/88/459074388.db2.gz XPQNFTSQDHDUAR-CQSZACIVSA-N 2 2 329.444 3.248 20 0 EGADLP COc1cc(F)c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000567394789 459098880 /nfs/dbraw/zinc/09/88/80/459098880.db2.gz KLKXIAOWHUTLIM-UHFFFAOYSA-N 2 2 336.451 3.340 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532588760 459115473 /nfs/dbraw/zinc/11/54/73/459115473.db2.gz HYHZCZNMBAKGMR-HINLZNOGSA-N 2 2 332.532 3.436 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532588760 459115479 /nfs/dbraw/zinc/11/54/79/459115479.db2.gz HYHZCZNMBAKGMR-HINLZNOGSA-N 2 2 332.532 3.436 20 0 EGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063358 459117049 /nfs/dbraw/zinc/11/70/49/459117049.db2.gz RLNICPHGNOPUOS-BBRMVZONSA-N 2 2 333.501 3.082 20 0 EGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000521063358 459117053 /nfs/dbraw/zinc/11/70/53/459117053.db2.gz RLNICPHGNOPUOS-BBRMVZONSA-N 2 2 333.501 3.082 20 0 EGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277298 459132553 /nfs/dbraw/zinc/13/25/53/459132553.db2.gz DHCINAUGAGWSEK-SFTDATJTSA-N 2 2 329.532 3.452 20 0 EGADLP Cc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C2CCCCC2)cc1 ZINC000479277298 459132560 /nfs/dbraw/zinc/13/25/60/459132560.db2.gz DHCINAUGAGWSEK-SFTDATJTSA-N 2 2 329.532 3.452 20 0 EGADLP COc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000532778061 459142567 /nfs/dbraw/zinc/14/25/67/459142567.db2.gz JPNNQXFSSAHQFY-RHSMWYFYSA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000532778061 459142572 /nfs/dbraw/zinc/14/25/72/459142572.db2.gz JPNNQXFSSAHQFY-RHSMWYFYSA-N 2 2 335.879 3.192 20 0 EGADLP COc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000532778061 459142574 /nfs/dbraw/zinc/14/25/74/459142574.db2.gz JPNNQXFSSAHQFY-RHSMWYFYSA-N 2 2 335.879 3.192 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000578126643 459149636 /nfs/dbraw/zinc/14/96/36/459149636.db2.gz MTYASSCCLCJFJM-JXFKEZNVSA-N 2 2 337.467 3.189 20 0 EGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000479877569 459171299 /nfs/dbraw/zinc/17/12/99/459171299.db2.gz WMSNOIJFZSPOIQ-SQWLQELKSA-N 2 2 341.421 3.214 20 0 EGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2)C1 ZINC000479877569 459171307 /nfs/dbraw/zinc/17/13/07/459171307.db2.gz WMSNOIJFZSPOIQ-SQWLQELKSA-N 2 2 341.421 3.214 20 0 EGADLP COc1cc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000567864317 459181399 /nfs/dbraw/zinc/18/13/99/459181399.db2.gz YVBUJHKZYUAVDF-QGZVFWFLSA-N 2 2 326.440 3.165 20 0 EGADLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c(-c2ccccc2)cc1OC ZINC000567864317 459181404 /nfs/dbraw/zinc/18/14/04/459181404.db2.gz YVBUJHKZYUAVDF-QGZVFWFLSA-N 2 2 326.440 3.165 20 0 EGADLP CC(C)OCC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000533151251 459196260 /nfs/dbraw/zinc/19/62/60/459196260.db2.gz LDFIFDRPTLFDHU-UHFFFAOYSA-N 2 2 348.535 3.447 20 0 EGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000567990664 459204058 /nfs/dbraw/zinc/20/40/58/459204058.db2.gz UYBMBJSYXMHWBR-JKSUJKDBSA-N 2 2 343.496 3.250 20 0 EGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000567990664 459204064 /nfs/dbraw/zinc/20/40/64/459204064.db2.gz UYBMBJSYXMHWBR-JKSUJKDBSA-N 2 2 343.496 3.250 20 0 EGADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+](C)C ZINC000480648198 459210972 /nfs/dbraw/zinc/21/09/72/459210972.db2.gz MXOOFODJUBXCHG-HMXCVIKNSA-N 2 2 347.547 3.014 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000558790827 459211536 /nfs/dbraw/zinc/21/15/36/459211536.db2.gz WTASRHAYVBZGKG-DBXWQHBBSA-N 2 2 330.516 3.487 20 0 EGADLP C[C@@H]1CC(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000558790827 459211539 /nfs/dbraw/zinc/21/15/39/459211539.db2.gz WTASRHAYVBZGKG-DBXWQHBBSA-N 2 2 330.516 3.487 20 0 EGADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000578523914 459216782 /nfs/dbraw/zinc/21/67/82/459216782.db2.gz VKKQMMCJFWGQMP-DLBZAZTESA-N 2 2 347.503 3.122 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000595074284 459237652 /nfs/dbraw/zinc/23/76/52/459237652.db2.gz WTGBFFJFUGMZNZ-ZIGMIJKYSA-N 2 2 348.556 3.176 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000595074284 459237655 /nfs/dbraw/zinc/23/76/55/459237655.db2.gz WTGBFFJFUGMZNZ-ZIGMIJKYSA-N 2 2 348.556 3.176 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568251649 459257746 /nfs/dbraw/zinc/25/77/46/459257746.db2.gz XLUSSUVFBHMXDQ-RDJZCZTQSA-N 2 2 342.487 3.124 20 0 EGADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568251649 459257753 /nfs/dbraw/zinc/25/77/53/459257753.db2.gz XLUSSUVFBHMXDQ-RDJZCZTQSA-N 2 2 342.487 3.124 20 0 EGADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000590928664 459271155 /nfs/dbraw/zinc/27/11/55/459271155.db2.gz PGNMZRLFDSDVTK-LZJOCLMNSA-N 2 2 345.446 3.243 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865795 459274215 /nfs/dbraw/zinc/27/42/15/459274215.db2.gz AZRQEOBNONMLDK-NVXWUHKLSA-N 2 2 348.450 3.390 20 0 EGADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865795 459274219 /nfs/dbraw/zinc/27/42/19/459274219.db2.gz AZRQEOBNONMLDK-NVXWUHKLSA-N 2 2 348.450 3.390 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790522 459277559 /nfs/dbraw/zinc/27/75/59/459277559.db2.gz YBTBYSPCACTGGY-USXIJHARSA-N 2 2 327.476 3.414 20 0 EGADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)[nH]1 ZINC000559790522 459277564 /nfs/dbraw/zinc/27/75/64/459277564.db2.gz YBTBYSPCACTGGY-USXIJHARSA-N 2 2 327.476 3.414 20 0 EGADLP Cc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C ZINC000534129098 459293142 /nfs/dbraw/zinc/29/31/42/459293142.db2.gz PCNXGJZHCMSJKW-UHFFFAOYSA-N 2 2 338.455 3.213 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)o2)cc1 ZINC000482206421 459296440 /nfs/dbraw/zinc/29/64/40/459296440.db2.gz FGNFMHCUJNXSSK-YOEHRIQHSA-N 2 2 342.439 3.306 20 0 EGADLP COC(=O)c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)o2)cc1 ZINC000482206421 459296444 /nfs/dbraw/zinc/29/64/44/459296444.db2.gz FGNFMHCUJNXSSK-YOEHRIQHSA-N 2 2 342.439 3.306 20 0 EGADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000482249375 459298747 /nfs/dbraw/zinc/29/87/47/459298747.db2.gz YXZOEQWWPMRVOC-FUHWJXTLSA-N 2 2 338.467 3.028 20 0 EGADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000482249375 459298749 /nfs/dbraw/zinc/29/87/49/459298749.db2.gz YXZOEQWWPMRVOC-FUHWJXTLSA-N 2 2 338.467 3.028 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083591 459309665 /nfs/dbraw/zinc/30/96/65/459309665.db2.gz ZFJJNNGWHWBLSZ-AWEZNQCLSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083591 459309667 /nfs/dbraw/zinc/30/96/67/459309667.db2.gz ZFJJNNGWHWBLSZ-AWEZNQCLSA-N 2 2 332.835 3.121 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082096 459309840 /nfs/dbraw/zinc/30/98/40/459309840.db2.gz JWBAJLKOFWWUSJ-HNNXBMFYSA-N 2 2 344.484 3.271 20 0 EGADLP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082096 459309846 /nfs/dbraw/zinc/30/98/46/459309846.db2.gz JWBAJLKOFWWUSJ-HNNXBMFYSA-N 2 2 344.484 3.271 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000568991012 459378373 /nfs/dbraw/zinc/37/83/73/459378373.db2.gz JENAGOCRPNMMGD-KRWDZBQOSA-N 2 2 325.456 3.125 20 0 EGADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000568991012 459378376 /nfs/dbraw/zinc/37/83/76/459378376.db2.gz JENAGOCRPNMMGD-KRWDZBQOSA-N 2 2 325.456 3.125 20 0 EGADLP C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]C1 ZINC000560943318 459408146 /nfs/dbraw/zinc/40/81/46/459408146.db2.gz SBMNAMWMPKLFON-OCCSQVGLSA-N 2 2 345.468 3.017 20 0 EGADLP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000582789655 459429378 /nfs/dbraw/zinc/42/93/78/459429378.db2.gz IXKBDNGLMXBKOL-OAHLLOKOSA-N 2 2 336.442 3.182 20 0 EGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@H]1C ZINC000484907116 459434936 /nfs/dbraw/zinc/43/49/36/459434936.db2.gz IVEBORUPYDAFHO-KURKYZTESA-N 2 2 325.541 3.122 20 0 EGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@H]1C ZINC000484907116 459434918 /nfs/dbraw/zinc/43/49/18/459434918.db2.gz IVEBORUPYDAFHO-KURKYZTESA-N 2 2 325.541 3.122 20 0 EGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@H]1C ZINC000484907116 459434924 /nfs/dbraw/zinc/43/49/24/459434924.db2.gz IVEBORUPYDAFHO-KURKYZTESA-N 2 2 325.541 3.122 20 0 EGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)CCCC(C)C)C[C@H]1C ZINC000484907116 459434932 /nfs/dbraw/zinc/43/49/32/459434932.db2.gz IVEBORUPYDAFHO-KURKYZTESA-N 2 2 325.541 3.122 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485189051 459444761 /nfs/dbraw/zinc/44/47/61/459444761.db2.gz PVZKNEQBHAPSLP-SJLPKXTDSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@@H](Nc1cc[nH+]c2ccncc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485189051 459444769 /nfs/dbraw/zinc/44/47/69/459444769.db2.gz PVZKNEQBHAPSLP-SJLPKXTDSA-N 2 2 332.451 3.374 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000561395486 459449816 /nfs/dbraw/zinc/44/98/16/459449816.db2.gz GKWBEKAUBCKFQN-UXPWSPDFSA-N 2 2 344.524 3.152 20 0 EGADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000561395486 459449824 /nfs/dbraw/zinc/44/98/24/459449824.db2.gz GKWBEKAUBCKFQN-UXPWSPDFSA-N 2 2 344.524 3.152 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866920 459458815 /nfs/dbraw/zinc/45/88/15/459458815.db2.gz JPSCAKUZMZSQBC-RBUKOAKNSA-N 2 2 340.471 3.130 20 0 EGADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866920 459458817 /nfs/dbraw/zinc/45/88/17/459458817.db2.gz JPSCAKUZMZSQBC-RBUKOAKNSA-N 2 2 340.471 3.130 20 0 EGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccccc1)c1cncnc1)CCC2 ZINC000541734063 459485650 /nfs/dbraw/zinc/48/56/50/459485650.db2.gz LSAHTKXHWMLTIH-PKOBYXMFSA-N 2 2 333.439 3.238 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000497235789 459497400 /nfs/dbraw/zinc/49/74/00/459497400.db2.gz INGOPAOSRBAARV-ZMSDIMECSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000497235789 459497407 /nfs/dbraw/zinc/49/74/07/459497407.db2.gz INGOPAOSRBAARV-ZMSDIMECSA-N 2 2 339.524 3.142 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000562097261 459511449 /nfs/dbraw/zinc/51/14/49/459511449.db2.gz OBDDWGOBOGZCFW-UKPHBRMFSA-N 2 2 326.406 3.480 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F ZINC000562097261 459511456 /nfs/dbraw/zinc/51/14/56/459511456.db2.gz OBDDWGOBOGZCFW-UKPHBRMFSA-N 2 2 326.406 3.480 20 0 EGADLP COCC[NH2+]C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000569977150 459541509 /nfs/dbraw/zinc/54/15/09/459541509.db2.gz FWHHDWBDJRAJTD-UHFFFAOYSA-N 2 2 333.863 3.089 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000562571837 459591333 /nfs/dbraw/zinc/59/13/33/459591333.db2.gz NPFOLHYHKDAFJX-KURKYZTESA-N 2 2 342.512 3.379 20 0 EGADLP Cc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000562571837 459591342 /nfs/dbraw/zinc/59/13/42/459591342.db2.gz NPFOLHYHKDAFJX-KURKYZTESA-N 2 2 342.512 3.379 20 0 EGADLP CSc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000572985967 459607332 /nfs/dbraw/zinc/60/73/32/459607332.db2.gz XGPUHAVDIMUALX-AWEZNQCLSA-N 2 2 326.531 3.157 20 0 EGADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000562837650 459657564 /nfs/dbraw/zinc/65/75/64/459657564.db2.gz ULNQRYADGPVNAL-QFBILLFUSA-N 2 2 341.455 3.314 20 0 EGADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)co2)cc1 ZINC000562837650 459657568 /nfs/dbraw/zinc/65/75/68/459657568.db2.gz ULNQRYADGPVNAL-QFBILLFUSA-N 2 2 341.455 3.314 20 0 EGADLP CCC(F)(F)C(C)(C)CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000527643219 459681501 /nfs/dbraw/zinc/68/15/01/459681501.db2.gz XDGFYOMWYLIYDG-UHFFFAOYSA-N 2 2 326.435 3.317 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000527672231 459694220 /nfs/dbraw/zinc/69/42/20/459694220.db2.gz FDFKSAXAHDWOQV-MEDUHNTESA-N 2 2 328.378 3.286 20 0 EGADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(C(F)(F)F)c1 ZINC000527672231 459694226 /nfs/dbraw/zinc/69/42/26/459694226.db2.gz FDFKSAXAHDWOQV-MEDUHNTESA-N 2 2 328.378 3.286 20 0 EGADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccn2cc[nH+]c2c1 ZINC000584440010 459737266 /nfs/dbraw/zinc/73/72/66/459737266.db2.gz XXYJLCYIXKFYHM-GOSISDBHSA-N 2 2 349.438 3.120 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214698 459740284 /nfs/dbraw/zinc/74/02/84/459740284.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC[C@H]3CCC[NH+]3C)C2)s1 ZINC000563214698 459740288 /nfs/dbraw/zinc/74/02/88/459740288.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[NH+](C)CC[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000563214698 459740292 /nfs/dbraw/zinc/74/02/92/459740292.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 3 2 335.561 3.295 20 0 EGADLP Cc1ccc(C[NH+]2CC[C@@H](C[NH+](C)CC[C@H]3CCC[N@H+]3C)C2)s1 ZINC000563214698 459740296 /nfs/dbraw/zinc/74/02/96/459740296.db2.gz CVRKRXICARLHIW-ZWKOTPCHSA-N 3 2 335.561 3.295 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527846442 459756660 /nfs/dbraw/zinc/75/66/60/459756660.db2.gz LUAYMFUOPPXQLW-VIFPVBQESA-N 2 2 333.220 3.472 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1C ZINC000574100424 459779770 /nfs/dbraw/zinc/77/97/70/459779770.db2.gz YUULTVJXWWRACD-MRXNPFEDSA-N 3 2 326.488 3.393 20 0 EGADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1C ZINC000574100424 459779772 /nfs/dbraw/zinc/77/97/72/459779772.db2.gz YUULTVJXWWRACD-MRXNPFEDSA-N 3 2 326.488 3.393 20 0 EGADLP CC(C)[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc(F)ccc1F ZINC000584715407 459789282 /nfs/dbraw/zinc/78/92/82/459789282.db2.gz RQJVNQDIIGHJDD-KRWDZBQOSA-N 2 2 349.429 3.037 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000584789318 459803437 /nfs/dbraw/zinc/80/34/37/459803437.db2.gz XJLCKRDIEKVYLD-WGMWDUQUSA-N 3 2 340.515 3.099 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000584789318 459803440 /nfs/dbraw/zinc/80/34/40/459803440.db2.gz XJLCKRDIEKVYLD-WGMWDUQUSA-N 3 2 340.515 3.099 20 0 EGADLP C[NH+](C)[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000574336336 459808273 /nfs/dbraw/zinc/80/82/73/459808273.db2.gz CIPGZAVYCOSRIJ-KRWDZBQOSA-N 2 2 346.862 3.003 20 0 EGADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566196047 459821620 /nfs/dbraw/zinc/82/16/20/459821620.db2.gz CXGQOSGFKQCLSN-GOEBONIOSA-N 2 2 326.444 3.349 20 0 EGADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000575172774 459940129 /nfs/dbraw/zinc/94/01/29/459940129.db2.gz CUOKUCYOXVDXGT-JLJPHGGASA-N 2 2 332.879 3.141 20 0 EGADLP CC(=O)N1CC[C@@H]([NH2+]CCc2cn3cccc(C)c3[nH+]2)c2ccccc21 ZINC000621753416 460049872 /nfs/dbraw/zinc/04/98/72/460049872.db2.gz OGPWHFZJDFUWJW-LJQANCHMSA-N 2 2 348.450 3.273 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783599 460060984 /nfs/dbraw/zinc/06/09/84/460060984.db2.gz DGZRMXLFUWJBFK-UTKZUKDTSA-N 2 2 332.451 3.315 20 0 EGADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000621783599 460060988 /nfs/dbraw/zinc/06/09/88/460060988.db2.gz DGZRMXLFUWJBFK-UTKZUKDTSA-N 2 2 332.451 3.315 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779422 460061365 /nfs/dbraw/zinc/06/13/65/460061365.db2.gz FBMZICYOZIOTKG-WIYYLYMNSA-N 2 2 335.451 3.252 20 0 EGADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000621779422 460061374 /nfs/dbraw/zinc/06/13/74/460061374.db2.gz FBMZICYOZIOTKG-WIYYLYMNSA-N 2 2 335.451 3.252 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000599043965 460138284 /nfs/dbraw/zinc/13/82/84/460138284.db2.gz QKPCSFMCXNNJJY-XXCQWMQFSA-N 2 2 332.488 3.389 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000599047069 460139423 /nfs/dbraw/zinc/13/94/23/460139423.db2.gz OIQGYSIDRPNMPD-KTLDDFEXSA-N 2 2 344.499 3.361 20 0 EGADLP COC(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000599047069 460139428 /nfs/dbraw/zinc/13/94/28/460139428.db2.gz OIQGYSIDRPNMPD-KTLDDFEXSA-N 2 2 344.499 3.361 20 0 EGADLP CSC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000602919129 460184992 /nfs/dbraw/zinc/18/49/92/460184992.db2.gz GXACXOFILONJQJ-UHFFFAOYSA-N 2 2 333.545 3.026 20 0 EGADLP OCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000626100881 460370586 /nfs/dbraw/zinc/37/05/86/460370586.db2.gz BATRDYCXOVGYDW-HNNXBMFYSA-N 2 2 328.243 3.293 20 0 EGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000623089457 460408727 /nfs/dbraw/zinc/40/87/27/460408727.db2.gz ICBFUTHZXRMKLF-UHFFFAOYSA-N 2 2 343.365 3.229 20 0 EGADLP COc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)ccc1SC ZINC000623089119 460409245 /nfs/dbraw/zinc/40/92/45/460409245.db2.gz VRUIZWLVAQQSSK-UHFFFAOYSA-N 2 2 344.471 3.484 20 0 EGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631600996 460467898 /nfs/dbraw/zinc/46/78/98/460467898.db2.gz VBSMDHZVAZUIFB-TTYHFUOFSA-N 2 2 341.499 3.154 20 0 EGADLP c1nc2c(s1)CCC[C@H]2[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000623904187 460770791 /nfs/dbraw/zinc/77/07/91/460770791.db2.gz XHVQWSYLGOSFEN-MRXNPFEDSA-N 2 2 349.544 3.393 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@@H+]([C@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410773 460775474 /nfs/dbraw/zinc/77/54/74/460775474.db2.gz DPKSWTFNSVPZHE-APWZRJJASA-N 2 2 348.450 3.208 20 0 EGADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)cc2[nH+]1 ZINC000635410773 460775478 /nfs/dbraw/zinc/77/54/78/460775478.db2.gz DPKSWTFNSVPZHE-APWZRJJASA-N 2 2 348.450 3.208 20 0 EGADLP CCSc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000629513840 460790373 /nfs/dbraw/zinc/79/03/73/460790373.db2.gz XBNDSDOYQTZIJU-LLVKDONJSA-N 2 2 329.307 3.342 20 0 EGADLP CCSc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000629513840 460790380 /nfs/dbraw/zinc/79/03/80/460790380.db2.gz XBNDSDOYQTZIJU-LLVKDONJSA-N 2 2 329.307 3.342 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559026 460807269 /nfs/dbraw/zinc/80/72/69/460807269.db2.gz BZWOSMPIZOGUED-GJZGRUSLSA-N 2 2 329.410 3.473 20 0 EGADLP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629559026 460807275 /nfs/dbraw/zinc/80/72/75/460807275.db2.gz BZWOSMPIZOGUED-GJZGRUSLSA-N 2 2 329.410 3.473 20 0 EGADLP CCCCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000629575986 460812914 /nfs/dbraw/zinc/81/29/14/460812914.db2.gz KUJHTHYVEGCONZ-INIZCTEOSA-N 2 2 340.895 3.065 20 0 EGADLP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549041 460828880 /nfs/dbraw/zinc/82/88/80/460828880.db2.gz YTWLOQUEXVXJQQ-IEBWSBKVSA-N 2 2 342.487 3.107 20 0 EGADLP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)n1cc[nH+]c1 ZINC000635549041 460828887 /nfs/dbraw/zinc/82/88/87/460828887.db2.gz YTWLOQUEXVXJQQ-IEBWSBKVSA-N 2 2 342.487 3.107 20 0 EGADLP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635557013 460831054 /nfs/dbraw/zinc/83/10/54/460831054.db2.gz XYXGIISNTWNMAA-LJQANCHMSA-N 2 2 348.535 3.441 20 0 EGADLP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635557013 460831056 /nfs/dbraw/zinc/83/10/56/460831056.db2.gz XYXGIISNTWNMAA-LJQANCHMSA-N 2 2 348.535 3.441 20 0 EGADLP CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629657229 460850742 /nfs/dbraw/zinc/85/07/42/460850742.db2.gz VAIKRVQHORNQEB-QWHCGFSZSA-N 2 2 334.357 3.184 20 0 EGADLP CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629657229 460850747 /nfs/dbraw/zinc/85/07/47/460850747.db2.gz VAIKRVQHORNQEB-QWHCGFSZSA-N 2 2 334.357 3.184 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(C)sc1C ZINC000624086814 460853639 /nfs/dbraw/zinc/85/36/39/460853639.db2.gz XIXLCBOJYDROHL-IRXDYDNUSA-N 2 2 337.533 3.136 20 0 EGADLP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(C)sc1C ZINC000624086814 460853646 /nfs/dbraw/zinc/85/36/46/460853646.db2.gz XIXLCBOJYDROHL-IRXDYDNUSA-N 2 2 337.533 3.136 20 0 EGADLP c1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCC2)nc1 ZINC000624105244 460862828 /nfs/dbraw/zinc/86/28/28/460862828.db2.gz HQVLSVZPKODPJB-QUCCMNQESA-N 2 2 329.488 3.156 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701904 460874924 /nfs/dbraw/zinc/87/49/24/460874924.db2.gz GIFLBGJYLWXOKL-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701904 460874930 /nfs/dbraw/zinc/87/49/30/460874930.db2.gz GIFLBGJYLWXOKL-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701905 460875800 /nfs/dbraw/zinc/87/58/00/460875800.db2.gz GIFLBGJYLWXOKL-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@H]3[NH2+]CCNC3=O)cc2)cc1 ZINC000629701905 460875803 /nfs/dbraw/zinc/87/58/03/460875803.db2.gz GIFLBGJYLWXOKL-IIBYNOLFSA-N 2 2 349.478 3.098 20 0 EGADLP C[NH2+]Cc1ccc(-c2ccc(OCC[NH+]3CCOCC3)c(C)c2)cc1 ZINC000629702992 460876639 /nfs/dbraw/zinc/87/66/39/460876639.db2.gz WDRFQFHHSXCVCY-UHFFFAOYSA-N 2 2 340.467 3.092 20 0 EGADLP c1cn(Cc2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)cc2)c[nH+]1 ZINC000629742119 460900156 /nfs/dbraw/zinc/90/01/56/460900156.db2.gz PGVGOFSROVYMDB-UHFFFAOYSA-N 2 2 332.451 3.004 20 0 EGADLP C[N@H+](Cc1cnc(C2CC2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157508 461022238 /nfs/dbraw/zinc/02/22/38/461022238.db2.gz KBWYYRGPNNCAMR-UHFFFAOYSA-N 2 2 340.471 3.086 20 0 EGADLP C[N@@H+](Cc1cnc(C2CC2)o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000628157508 461022244 /nfs/dbraw/zinc/02/22/44/461022244.db2.gz KBWYYRGPNNCAMR-UHFFFAOYSA-N 2 2 340.471 3.086 20 0 EGADLP Cc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ncc1Br ZINC000628183691 461034968 /nfs/dbraw/zinc/03/49/68/461034968.db2.gz KEOPNTJSGOLGRB-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ncc1Br ZINC000628183691 461034971 /nfs/dbraw/zinc/03/49/71/461034971.db2.gz KEOPNTJSGOLGRB-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ncc1Br ZINC000628183691 461034974 /nfs/dbraw/zinc/03/49/74/461034974.db2.gz KEOPNTJSGOLGRB-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ncc1Br ZINC000628183691 461034977 /nfs/dbraw/zinc/03/49/77/461034977.db2.gz KEOPNTJSGOLGRB-HNNXBMFYSA-N 2 2 340.309 3.459 20 0 EGADLP C[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(Cl)cc21 ZINC000652353533 461146442 /nfs/dbraw/zinc/14/64/42/461146442.db2.gz OZRKQVPOTYYUTO-NSHDSACASA-N 2 2 334.851 3.079 20 0 EGADLP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CCc2ccc(Cl)cc21 ZINC000652353533 461146447 /nfs/dbraw/zinc/14/64/47/461146447.db2.gz OZRKQVPOTYYUTO-NSHDSACASA-N 2 2 334.851 3.079 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649540676 461161833 /nfs/dbraw/zinc/16/18/33/461161833.db2.gz BFQVDZLRZRATQB-APWZRJJASA-N 2 2 337.458 3.128 20 0 EGADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649540676 461161839 /nfs/dbraw/zinc/16/18/39/461161839.db2.gz BFQVDZLRZRATQB-APWZRJJASA-N 2 2 337.458 3.128 20 0 EGADLP FC(F)(F)c1csc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662292678 461169686 /nfs/dbraw/zinc/16/96/86/461169686.db2.gz HLLWFGYXGJIORK-GFCCVEGCSA-N 2 2 333.423 3.374 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298900 461235626 /nfs/dbraw/zinc/23/56/26/461235626.db2.gz NJXPYBYCRCMWAI-LJQANCHMSA-N 2 2 332.488 3.080 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)c1 ZINC000668298900 461235632 /nfs/dbraw/zinc/23/56/32/461235632.db2.gz NJXPYBYCRCMWAI-LJQANCHMSA-N 2 2 332.488 3.080 20 0 EGADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442509 461253386 /nfs/dbraw/zinc/25/33/86/461253386.db2.gz RYOSQHJSETYXRL-QRWLVFNGSA-N 2 2 338.455 3.091 20 0 EGADLP C[C@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C[C@H]1n1cc[nH+]c1 ZINC000638170077 461283383 /nfs/dbraw/zinc/28/33/83/461283383.db2.gz CLSZWDUIGIPHRN-PKOBYXMFSA-N 2 2 343.471 3.118 20 0 EGADLP CC(C)c1cc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000641655224 461306841 /nfs/dbraw/zinc/30/68/41/461306841.db2.gz ZVNASZIAOMCVAI-MRXNPFEDSA-N 2 2 346.519 3.413 20 0 EGADLP CC(C)c1cc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000641655224 461306848 /nfs/dbraw/zinc/30/68/48/461306848.db2.gz ZVNASZIAOMCVAI-MRXNPFEDSA-N 2 2 346.519 3.413 20 0 EGADLP CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519523 461313884 /nfs/dbraw/zinc/31/38/84/461313884.db2.gz XYACPWZQCRSPSA-YLJYHZDGSA-N 2 2 342.487 3.031 20 0 EGADLP CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519523 461313888 /nfs/dbraw/zinc/31/38/88/461313888.db2.gz XYACPWZQCRSPSA-YLJYHZDGSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519523 461313892 /nfs/dbraw/zinc/31/38/92/461313892.db2.gz XYACPWZQCRSPSA-YLJYHZDGSA-N 2 2 342.487 3.031 20 0 EGADLP CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(O)cc2)[C@@H]1c1cnn(C)c1 ZINC000668519523 461313896 /nfs/dbraw/zinc/31/38/96/461313896.db2.gz XYACPWZQCRSPSA-YLJYHZDGSA-N 2 2 342.487 3.031 20 0 EGADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1nc2ccccc2n1C(F)F ZINC000641706138 461328820 /nfs/dbraw/zinc/32/88/20/461328820.db2.gz YKCMCKSNGAADOF-NSHDSACASA-N 2 2 348.401 3.082 20 0 EGADLP CC(C)Oc1ccccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655692997 461366163 /nfs/dbraw/zinc/36/61/63/461366163.db2.gz YOHJRRVDMVJMIA-AEFFLSMTSA-N 2 2 332.488 3.378 20 0 EGADLP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1([NH+]2CCCCC2)CCCCC1 ZINC000655694091 461367933 /nfs/dbraw/zinc/36/79/33/461367933.db2.gz ZLPPHKUNAFUKLW-FQEVSTJZSA-N 3 2 349.563 3.018 20 0 EGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697954 461370743 /nfs/dbraw/zinc/37/07/43/461370743.db2.gz UXBAWUCDYYRFPK-AEFFLSMTSA-N 2 2 332.488 3.444 20 0 EGADLP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nc2ccccc2[nH]1 ZINC000655700930 461372003 /nfs/dbraw/zinc/37/20/03/461372003.db2.gz RBXRFXKKWPGIMG-QFBILLFUSA-N 2 2 342.487 3.103 20 0 EGADLP CCc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655725690 461395132 /nfs/dbraw/zinc/39/51/32/461395132.db2.gz XGKLOISNBUDGOT-UYAOXDASSA-N 2 2 344.499 3.306 20 0 EGADLP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655729616 461397322 /nfs/dbraw/zinc/39/73/22/461397322.db2.gz MCTQYISLMWTLQT-HSALFYBXSA-N 2 2 332.463 3.305 20 0 EGADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000630909819 461405726 /nfs/dbraw/zinc/40/57/26/461405726.db2.gz CCPCONYUKFWLIU-GOSISDBHSA-N 2 2 338.455 3.167 20 0 EGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000638446626 461431944 /nfs/dbraw/zinc/43/19/44/461431944.db2.gz ZCKSHLZUZXBFOO-UHFFFAOYSA-N 2 2 331.287 3.318 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000659876819 461476134 /nfs/dbraw/zinc/47/61/34/461476134.db2.gz GCKPLFIHOHGVJO-NMLBUPMWSA-N 2 2 347.547 3.022 20 0 EGADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000659876819 461476147 /nfs/dbraw/zinc/47/61/47/461476147.db2.gz GCKPLFIHOHGVJO-NMLBUPMWSA-N 2 2 347.547 3.022 20 0 EGADLP CCC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000653081247 461492349 /nfs/dbraw/zinc/49/23/49/461492349.db2.gz IDXGOZWCCPRWLT-HUUCEWRRSA-N 2 2 346.302 3.230 20 0 EGADLP Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653088148 461495191 /nfs/dbraw/zinc/49/51/91/461495191.db2.gz SROXHDOAEKXCHE-QGZVFWFLSA-N 2 2 327.428 3.005 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000655848994 461496046 /nfs/dbraw/zinc/49/60/46/461496046.db2.gz NPJUUMMSEOFYPU-KZNAEPCWSA-N 2 2 330.472 3.298 20 0 EGADLP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000655848994 461496051 /nfs/dbraw/zinc/49/60/51/461496051.db2.gz NPJUUMMSEOFYPU-KZNAEPCWSA-N 2 2 330.472 3.298 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848045 461496350 /nfs/dbraw/zinc/49/63/50/461496350.db2.gz AAOVKODQDHXWQQ-HSALFYBXSA-N 2 2 334.479 3.380 20 0 EGADLP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848045 461496356 /nfs/dbraw/zinc/49/63/56/461496356.db2.gz AAOVKODQDHXWQQ-HSALFYBXSA-N 2 2 334.479 3.380 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655848382 461496366 /nfs/dbraw/zinc/49/63/66/461496366.db2.gz IKSQDMOOBPTKIU-ZYSHUDEJSA-N 2 2 345.487 3.019 20 0 EGADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655848382 461496374 /nfs/dbraw/zinc/49/63/74/461496374.db2.gz IKSQDMOOBPTKIU-ZYSHUDEJSA-N 2 2 345.487 3.019 20 0 EGADLP Cc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCC[C@H](C)C1 ZINC000653089255 461497267 /nfs/dbraw/zinc/49/72/67/461497267.db2.gz CIOYNTYGOUXSKG-JQERWDHBSA-N 2 2 345.531 3.258 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850828 461499319 /nfs/dbraw/zinc/49/93/19/461499319.db2.gz ZFJCRCVDRHCQRW-WDSOQIARSA-N 2 2 329.488 3.319 20 0 EGADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850828 461499326 /nfs/dbraw/zinc/49/93/26/461499326.db2.gz ZFJCRCVDRHCQRW-WDSOQIARSA-N 2 2 329.488 3.319 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855644 461503788 /nfs/dbraw/zinc/50/37/88/461503788.db2.gz FRIOWPCXGMPULC-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC(F)F ZINC000655855644 461503796 /nfs/dbraw/zinc/50/37/96/461503796.db2.gz FRIOWPCXGMPULC-LSDHHAIUSA-N 2 2 340.414 3.403 20 0 EGADLP c1[nH+]c2n(c1CNc1cccc(-c3ccc4c(c3)CCO4)[nH+]1)CCC2 ZINC000663256961 461529060 /nfs/dbraw/zinc/52/90/60/461529060.db2.gz QWKLZNOPJQNMOY-UHFFFAOYSA-N 2 2 332.407 3.438 20 0 EGADLP COc1cc(Cl)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000631131372 461576534 /nfs/dbraw/zinc/57/65/34/461576534.db2.gz VPLJHYOJVPRNOP-UHFFFAOYSA-N 2 2 335.835 3.180 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643061690 461598543 /nfs/dbraw/zinc/59/85/43/461598543.db2.gz IEPQFJDAZBXODO-AEFFLSMTSA-N 2 2 345.487 3.020 20 0 EGADLP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643061690 461598548 /nfs/dbraw/zinc/59/85/48/461598548.db2.gz IEPQFJDAZBXODO-AEFFLSMTSA-N 2 2 345.487 3.020 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000638823512 461599553 /nfs/dbraw/zinc/59/95/53/461599553.db2.gz UGYVAEWONRDUCI-YXJHDRRASA-N 2 2 339.487 3.386 20 0 EGADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000638823512 461599563 /nfs/dbraw/zinc/59/95/63/461599563.db2.gz UGYVAEWONRDUCI-YXJHDRRASA-N 2 2 339.487 3.386 20 0 EGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccncc3Br)cn21 ZINC000631167286 461604645 /nfs/dbraw/zinc/60/46/45/461604645.db2.gz UEYZNKXXVAJKKU-UHFFFAOYSA-N 2 2 345.244 3.133 20 0 EGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256042 461678550 /nfs/dbraw/zinc/67/85/50/461678550.db2.gz QNPWPGVQOWEOKF-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256042 461678557 /nfs/dbraw/zinc/67/85/57/461678557.db2.gz QNPWPGVQOWEOKF-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256042 461678565 /nfs/dbraw/zinc/67/85/65/461678565.db2.gz QNPWPGVQOWEOKF-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000656256042 461678573 /nfs/dbraw/zinc/67/85/73/461678573.db2.gz QNPWPGVQOWEOKF-MRXNPFEDSA-N 2 2 330.451 3.093 20 0 EGADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000653505055 461680955 /nfs/dbraw/zinc/68/09/55/461680955.db2.gz WXNUQJPVPFIKNA-PHIMTYICSA-N 2 2 343.315 3.415 20 0 EGADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000653505055 461680965 /nfs/dbraw/zinc/68/09/65/461680965.db2.gz WXNUQJPVPFIKNA-PHIMTYICSA-N 2 2 343.315 3.415 20 0 EGADLP COCCCCc1ccc[nH+]c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656260552 461684105 /nfs/dbraw/zinc/68/41/05/461684105.db2.gz RCFHDGGGWTXGTO-IBGZPJMESA-N 2 2 347.503 3.106 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000656261954 461686950 /nfs/dbraw/zinc/68/69/50/461686950.db2.gz NYXJRIKYRONCLI-QGZVFWFLSA-N 2 2 335.455 3.212 20 0 EGADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000656261954 461686957 /nfs/dbraw/zinc/68/69/57/461686957.db2.gz NYXJRIKYRONCLI-QGZVFWFLSA-N 2 2 335.455 3.212 20 0 EGADLP O=C1NCC[NH2+][C@H]1c1ccccc1-c1ccc(C[NH+]2CCCCC2)cc1 ZINC000653509757 461687485 /nfs/dbraw/zinc/68/74/85/461687485.db2.gz WBFHWHKTZXXWNZ-NRFANRHFSA-N 2 2 349.478 3.100 20 0 EGADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)cc1 ZINC000653509471 461688275 /nfs/dbraw/zinc/68/82/75/461688275.db2.gz ITRRVJUOWOUORO-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[C@@H]2[NH2+]CCNC2=O)cc1 ZINC000653509471 461688281 /nfs/dbraw/zinc/68/82/81/461688281.db2.gz ITRRVJUOWOUORO-IERDGZPVSA-N 2 2 349.478 3.098 20 0 EGADLP COC1([C@@H](C)[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350329 461700981 /nfs/dbraw/zinc/70/09/81/461700981.db2.gz ITEFLPFISNQXRQ-IEBWSBKVSA-N 2 2 346.515 3.213 20 0 EGADLP COC1([C@@H](C)[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CCOCC1 ZINC000643350329 461700983 /nfs/dbraw/zinc/70/09/83/461700983.db2.gz ITEFLPFISNQXRQ-IEBWSBKVSA-N 2 2 346.515 3.213 20 0 EGADLP COc1ccc([C@@H]([NH2+]CCc2nc(C)cs2)[C@H]2CCC[NH2+]2)cc1 ZINC000643460699 461734189 /nfs/dbraw/zinc/73/41/89/461734189.db2.gz GPPUHMPLHGRZFS-SJLPKXTDSA-N 2 2 331.485 3.086 20 0 EGADLP CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@H]1[NH3+] ZINC000647498287 461736085 /nfs/dbraw/zinc/73/60/85/461736085.db2.gz DODAQTWFGKVILM-CXAGYDPISA-N 2 2 331.485 3.378 20 0 EGADLP CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)CC[C@H]1[NH3+] ZINC000647498287 461736093 /nfs/dbraw/zinc/73/60/93/461736093.db2.gz DODAQTWFGKVILM-CXAGYDPISA-N 2 2 331.485 3.378 20 0 EGADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000656416970 461738046 /nfs/dbraw/zinc/73/80/46/461738046.db2.gz GCYWBMOMKMARRR-AOOOYVTPSA-N 2 2 329.288 3.025 20 0 EGADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000656416970 461738049 /nfs/dbraw/zinc/73/80/49/461738049.db2.gz GCYWBMOMKMARRR-AOOOYVTPSA-N 2 2 329.288 3.025 20 0 EGADLP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502064 461748048 /nfs/dbraw/zinc/74/80/48/461748048.db2.gz WZCCXALWLJQMCG-HIFRSBDPSA-N 2 2 339.277 3.395 20 0 EGADLP CCC[NH2+]CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643515245 461750362 /nfs/dbraw/zinc/75/03/62/461750362.db2.gz QSDHLJDGUIOXMO-CVEARBPZSA-N 2 2 341.293 3.258 20 0 EGADLP Clc1cccc([C@@H]2C[NH2+]CCN2Cc2c[nH+]c3ccccn23)c1 ZINC000647536686 461751447 /nfs/dbraw/zinc/75/14/47/461751447.db2.gz VSBMKYOHLJOFPA-KRWDZBQOSA-N 2 2 326.831 3.134 20 0 EGADLP Clc1ccccc1[C@H]1C[NH2+]CCN1Cc1c[nH+]c2ccccn12 ZINC000647536193 461751544 /nfs/dbraw/zinc/75/15/44/461751544.db2.gz LVELVMUCBKHIHD-QGZVFWFLSA-N 2 2 326.831 3.134 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000647537214 461752461 /nfs/dbraw/zinc/75/24/61/461752461.db2.gz JGWZBIJCDLOZRR-UHFFFAOYSA-N 2 2 334.895 3.371 20 0 EGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000647537214 461752469 /nfs/dbraw/zinc/75/24/69/461752469.db2.gz JGWZBIJCDLOZRR-UHFFFAOYSA-N 2 2 334.895 3.371 20 0 EGADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643529980 461754955 /nfs/dbraw/zinc/75/49/55/461754955.db2.gz TWCWLGLRXYOIAN-DAXOMENPSA-N 2 2 341.293 3.257 20 0 EGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2cccc(Br)c21 ZINC000643537264 461757464 /nfs/dbraw/zinc/75/74/64/461757464.db2.gz CBLYHEFPRNBMOR-AYGWYOGXSA-N 2 2 327.241 3.287 20 0 EGADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ncc(Br)s1 ZINC000643547260 461758951 /nfs/dbraw/zinc/75/89/51/461758951.db2.gz BWIRVOPLLNRENO-VHSXEESVSA-N 2 2 330.295 3.231 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1C ZINC000669699140 461771071 /nfs/dbraw/zinc/77/10/71/461771071.db2.gz RIAAGOPNGFMYPQ-MJGOQNOKSA-N 2 2 326.488 3.291 20 0 EGADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000669699140 461771078 /nfs/dbraw/zinc/77/10/78/461771078.db2.gz RIAAGOPNGFMYPQ-MJGOQNOKSA-N 2 2 326.488 3.291 20 0 EGADLP COc1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000639161617 461772094 /nfs/dbraw/zinc/77/20/94/461772094.db2.gz LIRCRLUREHCEJN-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP COc1ncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)s1 ZINC000639161617 461772098 /nfs/dbraw/zinc/77/20/98/461772098.db2.gz LIRCRLUREHCEJN-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP COc1ncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)s1 ZINC000639161617 461772104 /nfs/dbraw/zinc/77/21/04/461772104.db2.gz LIRCRLUREHCEJN-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP COc1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)s1 ZINC000639161617 461772109 /nfs/dbraw/zinc/77/21/09/461772109.db2.gz LIRCRLUREHCEJN-LJQANCHMSA-N 2 2 343.496 3.250 20 0 EGADLP C[NH2+][C@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc(Cl)c1Cl ZINC000656562170 461786681 /nfs/dbraw/zinc/78/66/81/461786681.db2.gz YMTAVQHVGVPJJU-LBPRGKRZSA-N 2 2 341.242 3.413 20 0 EGADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478837 461803058 /nfs/dbraw/zinc/80/30/58/461803058.db2.gz MTINMWHAJLJZBO-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660478837 461803062 /nfs/dbraw/zinc/80/30/62/461803062.db2.gz MTINMWHAJLJZBO-MRXNPFEDSA-N 2 2 338.879 3.035 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663830560 461827652 /nfs/dbraw/zinc/82/76/52/461827652.db2.gz WFVIADJAFXLGNG-MRXNPFEDSA-N 2 2 332.488 3.040 20 0 EGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663830560 461827659 /nfs/dbraw/zinc/82/76/59/461827659.db2.gz WFVIADJAFXLGNG-MRXNPFEDSA-N 2 2 332.488 3.040 20 0 EGADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691721 461844381 /nfs/dbraw/zinc/84/43/81/461844381.db2.gz FMOSEBBVYDIUET-GHMZBOCLSA-N 2 2 337.266 3.484 20 0 EGADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000656691721 461844384 /nfs/dbraw/zinc/84/43/84/461844384.db2.gz FMOSEBBVYDIUET-GHMZBOCLSA-N 2 2 337.266 3.484 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695376 461845315 /nfs/dbraw/zinc/84/53/15/461845315.db2.gz HTOJLGLNHMBMSE-ZFWWWQNUSA-N 2 2 330.419 3.030 20 0 EGADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1OC(F)F ZINC000656695376 461845324 /nfs/dbraw/zinc/84/53/24/461845324.db2.gz HTOJLGLNHMBMSE-ZFWWWQNUSA-N 2 2 330.419 3.030 20 0 EGADLP Cn1c2ccccc2[nH+]c1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000534978955 468281149 /nfs/dbraw/zinc/28/11/49/468281149.db2.gz RAKZZZLWPIEVET-UHFFFAOYSA-N 2 2 328.460 3.020 20 0 EGADLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000639374601 461894935 /nfs/dbraw/zinc/89/49/35/461894935.db2.gz HRVGBVPUOLTXNQ-UHFFFAOYSA-N 2 2 330.472 3.298 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656785830 461896472 /nfs/dbraw/zinc/89/64/72/461896472.db2.gz RCPVZKRLAWWFAF-UHFFFAOYSA-N 2 2 334.895 3.371 20 0 EGADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656785830 461896476 /nfs/dbraw/zinc/89/64/76/461896476.db2.gz RCPVZKRLAWWFAF-UHFFFAOYSA-N 2 2 334.895 3.371 20 0 EGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654902 461906001 /nfs/dbraw/zinc/90/60/01/461906001.db2.gz CUYBBQMFTALFLN-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654902 461906007 /nfs/dbraw/zinc/90/60/07/461906007.db2.gz CUYBBQMFTALFLN-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654902 461906012 /nfs/dbraw/zinc/90/60/12/461906012.db2.gz CUYBBQMFTALFLN-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000660654902 461906016 /nfs/dbraw/zinc/90/60/16/461906016.db2.gz CUYBBQMFTALFLN-OAQYLSRUSA-N 2 2 337.467 3.196 20 0 EGADLP Cc1nc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Br)c(C)[nH+]1 ZINC000664078120 461934947 /nfs/dbraw/zinc/93/49/47/461934947.db2.gz NPOAQRJVECAHDA-STQMWFEESA-N 2 2 339.281 3.285 20 0 EGADLP Cc1nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(Br)c(C)[nH+]1 ZINC000664078120 461934954 /nfs/dbraw/zinc/93/49/54/461934954.db2.gz NPOAQRJVECAHDA-STQMWFEESA-N 2 2 339.281 3.285 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000664123754 461949690 /nfs/dbraw/zinc/94/96/90/461949690.db2.gz SUPCAGNPKNAGGT-UHFFFAOYSA-N 2 2 339.443 3.007 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000664123754 461949694 /nfs/dbraw/zinc/94/96/94/461949694.db2.gz SUPCAGNPKNAGGT-UHFFFAOYSA-N 2 2 339.443 3.007 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000667147263 461970756 /nfs/dbraw/zinc/97/07/56/461970756.db2.gz ZTYWSVDQOMZUTM-SFHVURJKSA-N 2 2 349.438 3.039 20 0 EGADLP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC000667147263 461970761 /nfs/dbraw/zinc/97/07/61/461970761.db2.gz ZTYWSVDQOMZUTM-SFHVURJKSA-N 2 2 349.438 3.039 20 0 EGADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000644569500 461990310 /nfs/dbraw/zinc/99/03/10/461990310.db2.gz TTXSVLVDFFGCPQ-SJORKVTESA-N 2 2 344.421 3.073 20 0 EGADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000644569220 461990326 /nfs/dbraw/zinc/99/03/26/461990326.db2.gz BPENSCWUKFVPDA-PMACEKPBSA-N 2 2 342.483 3.044 20 0 EGADLP COc1ncc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000639614343 462017881 /nfs/dbraw/zinc/01/78/81/462017881.db2.gz ATBBFRWFJBCELI-QGZVFWFLSA-N 2 2 335.407 3.292 20 0 EGADLP COc1ncc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000639614343 462017891 /nfs/dbraw/zinc/01/78/91/462017891.db2.gz ATBBFRWFJBCELI-QGZVFWFLSA-N 2 2 335.407 3.292 20 0 EGADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc2c(c1)OCCO2 ZINC000657294616 462023622 /nfs/dbraw/zinc/02/36/22/462023622.db2.gz SQAOUOBCLIKGEE-LJQANCHMSA-N 2 2 327.428 3.087 20 0 EGADLP CCCn1nccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000657328698 462049694 /nfs/dbraw/zinc/04/96/94/462049694.db2.gz CEZSQVVNEQKOLU-UHFFFAOYSA-N 2 2 327.407 3.216 20 0 EGADLP CCCCc1noc([C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681852 462055415 /nfs/dbraw/zinc/05/54/15/462055415.db2.gz FXBGJSUELRFNRE-HNNXBMFYSA-N 2 2 329.448 3.081 20 0 EGADLP CCCCc1noc([C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639681852 462055423 /nfs/dbraw/zinc/05/54/23/462055423.db2.gz FXBGJSUELRFNRE-HNNXBMFYSA-N 2 2 329.448 3.081 20 0 EGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)n1C ZINC000657363623 462073286 /nfs/dbraw/zinc/07/32/86/462073286.db2.gz PTDWMDJSGLYMGE-AWEZNQCLSA-N 2 2 338.377 3.116 20 0 EGADLP c1cn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCCCO4)C2)c[nH+]1 ZINC000648366878 462082221 /nfs/dbraw/zinc/08/22/21/462082221.db2.gz BYDDHVDYFOGVOU-KRWDZBQOSA-N 2 2 327.428 3.272 20 0 EGADLP c1cn([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCCCO4)C2)c[nH+]1 ZINC000648366878 462082226 /nfs/dbraw/zinc/08/22/26/462082226.db2.gz BYDDHVDYFOGVOU-KRWDZBQOSA-N 2 2 327.428 3.272 20 0 EGADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)CCO1 ZINC000648400866 462101082 /nfs/dbraw/zinc/10/10/82/462101082.db2.gz FTZHVAKXNIBAGY-GGPKGHCWSA-N 2 2 332.488 3.379 20 0 EGADLP Cc1[nH]c(CNc2cccc(C[NH+]3CCSCC3)c2C)[nH+]c1C ZINC000657407646 462103232 /nfs/dbraw/zinc/10/32/32/462103232.db2.gz OGRUPXSKGNQPHR-UHFFFAOYSA-N 2 2 330.501 3.496 20 0 EGADLP Cc1[nH]c(CNC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)[nH+]c1C ZINC000657437210 462122012 /nfs/dbraw/zinc/12/20/12/462122012.db2.gz HOYXGSXVLAAJHP-HNNXBMFYSA-N 2 2 340.393 3.438 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657507013 462160423 /nfs/dbraw/zinc/16/04/23/462160423.db2.gz ZIZKLMWWHWTTAB-FFZOFVMBSA-N 2 2 332.488 3.207 20 0 EGADLP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000657507013 462160430 /nfs/dbraw/zinc/16/04/30/462160430.db2.gz ZIZKLMWWHWTTAB-FFZOFVMBSA-N 2 2 332.488 3.207 20 0 EGADLP Clc1cnc2oc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000648568421 462181372 /nfs/dbraw/zinc/18/13/72/462181372.db2.gz PBYDXBSWHVMAPU-AWEZNQCLSA-N 2 2 349.862 3.025 20 0 EGADLP Clc1cnc2oc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000648568421 462181380 /nfs/dbraw/zinc/18/13/80/462181380.db2.gz PBYDXBSWHVMAPU-AWEZNQCLSA-N 2 2 349.862 3.025 20 0 EGADLP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000648652478 462214343 /nfs/dbraw/zinc/21/43/43/462214343.db2.gz GEOXCSALURCXFI-GOSISDBHSA-N 2 2 339.414 3.359 20 0 EGADLP C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000667700072 462220747 /nfs/dbraw/zinc/22/07/47/462220747.db2.gz QRORTTWNCQNJBR-NSISKUIASA-N 2 2 341.455 3.134 20 0 EGADLP C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000667700072 462220752 /nfs/dbraw/zinc/22/07/52/462220752.db2.gz QRORTTWNCQNJBR-NSISKUIASA-N 2 2 341.455 3.134 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706848 462224913 /nfs/dbraw/zinc/22/49/13/462224913.db2.gz JPCNCOLVVYSLDB-SZVBFZGTSA-N 2 2 348.462 3.050 20 0 EGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OC2CC2)c1F ZINC000667706848 462224918 /nfs/dbraw/zinc/22/49/18/462224918.db2.gz JPCNCOLVVYSLDB-SZVBFZGTSA-N 2 2 348.462 3.050 20 0 EGADLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1Cl ZINC000648816727 462291376 /nfs/dbraw/zinc/29/13/76/462291376.db2.gz DGJCFCGJUNIARS-UHFFFAOYSA-N 2 2 345.874 3.498 20 0 EGADLP COCCc1ccc(OC[C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000667914103 462319649 /nfs/dbraw/zinc/31/96/49/462319649.db2.gz ZMDAGLYLYWXWTO-QGZVFWFLSA-N 2 2 328.456 3.179 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934488 462334949 /nfs/dbraw/zinc/33/49/49/462334949.db2.gz JDIZEWPEQSJNAH-IEBWSBKVSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934488 462334952 /nfs/dbraw/zinc/33/49/52/462334952.db2.gz JDIZEWPEQSJNAH-IEBWSBKVSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934489 462335118 /nfs/dbraw/zinc/33/51/18/462335118.db2.gz JDIZEWPEQSJNAH-MJGOQNOKSA-N 2 2 337.552 3.076 20 0 EGADLP CCC[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934489 462335122 /nfs/dbraw/zinc/33/51/22/462335122.db2.gz JDIZEWPEQSJNAH-MJGOQNOKSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](OC1CCCC1)C(F)(F)F ZINC000665237834 462363270 /nfs/dbraw/zinc/36/32/70/462363270.db2.gz KWCJPEDFUQNEIU-JQFCIGGWSA-N 2 2 344.421 3.425 20 0 EGADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(CO)c1 ZINC000665257893 462373022 /nfs/dbraw/zinc/37/30/22/462373022.db2.gz XQIZLBNGYNOOSX-VHKYSDTDSA-N 2 2 328.431 3.114 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000658090343 462378025 /nfs/dbraw/zinc/37/80/25/462378025.db2.gz GJQKTIZYWOHYNP-RDJZCZTQSA-N 2 2 331.504 3.483 20 0 EGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000658090343 462378033 /nfs/dbraw/zinc/37/80/33/462378033.db2.gz GJQKTIZYWOHYNP-RDJZCZTQSA-N 2 2 331.504 3.483 20 0 EGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC1CCCCCC1 ZINC000654781534 462381676 /nfs/dbraw/zinc/38/16/76/462381676.db2.gz GCIJPTRCGWOHOQ-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC1CCCCCC1 ZINC000654781534 462381683 /nfs/dbraw/zinc/38/16/83/462381683.db2.gz GCIJPTRCGWOHOQ-UHFFFAOYSA-N 2 2 337.552 3.221 20 0 EGADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292137 462388477 /nfs/dbraw/zinc/38/84/77/462388477.db2.gz UBUCRMCVMNDHNO-LBPRGKRZSA-N 2 2 340.427 3.109 20 0 EGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000658243226 462441146 /nfs/dbraw/zinc/44/11/46/462441146.db2.gz YRQVSAXRLYEVNH-ROUUACIJSA-N 2 2 331.504 3.138 20 0 EGADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccn2)cc1 ZINC000652136227 462445837 /nfs/dbraw/zinc/44/58/37/462445837.db2.gz JLTJSEKYRYVJHI-NRFANRHFSA-N 2 2 337.467 3.396 20 0 EGADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141663 462448051 /nfs/dbraw/zinc/44/80/51/462448051.db2.gz WNTNDPQQMLQUCC-OXJNMPFZSA-N 2 2 325.456 3.111 20 0 EGADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(OC)cc2)c2ccccn2)C1 ZINC000652141663 462448057 /nfs/dbraw/zinc/44/80/57/462448057.db2.gz WNTNDPQQMLQUCC-OXJNMPFZSA-N 2 2 325.456 3.111 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160190 462455880 /nfs/dbraw/zinc/45/58/80/462455880.db2.gz PUHWOYMDVCVTOG-JQFCIGGWSA-N 2 2 348.487 3.236 20 0 EGADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cc(OC)c(OC)c(OC)c1 ZINC000652160190 462455884 /nfs/dbraw/zinc/45/58/84/462455884.db2.gz PUHWOYMDVCVTOG-JQFCIGGWSA-N 2 2 348.487 3.236 20 0 EGADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252815 462456630 /nfs/dbraw/zinc/45/66/30/462456630.db2.gz HCRPCEFDZLFDQL-SVFBPWRDSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252815 462456636 /nfs/dbraw/zinc/45/66/36/462456636.db2.gz HCRPCEFDZLFDQL-SVFBPWRDSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252815 462456638 /nfs/dbraw/zinc/45/66/38/462456638.db2.gz HCRPCEFDZLFDQL-SVFBPWRDSA-N 2 2 327.516 3.318 20 0 EGADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000649252815 462456643 /nfs/dbraw/zinc/45/66/43/462456643.db2.gz HCRPCEFDZLFDQL-SVFBPWRDSA-N 2 2 327.516 3.318 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287849 462457626 /nfs/dbraw/zinc/45/76/26/462457626.db2.gz OADMDQDZBAPEHI-ZBFHGGJFSA-N 2 2 337.895 3.439 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000658287849 462457633 /nfs/dbraw/zinc/45/76/33/462457633.db2.gz OADMDQDZBAPEHI-ZBFHGGJFSA-N 2 2 337.895 3.439 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nccc2ccccc21 ZINC000658294966 462461263 /nfs/dbraw/zinc/46/12/63/462461263.db2.gz KLEQKQMZBZBEOO-YJBOKZPZSA-N 2 2 325.456 3.139 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000658294647 462461749 /nfs/dbraw/zinc/46/17/49/462461749.db2.gz ONUUSACZSPSHPN-HSALFYBXSA-N 2 2 328.500 3.412 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1c1ccccc1 ZINC000658294660 462461773 /nfs/dbraw/zinc/46/17/73/462461773.db2.gz ONUUSACZSPSHPN-XUVXKRRUSA-N 2 2 328.500 3.412 20 0 EGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000658295992 462462716 /nfs/dbraw/zinc/46/27/16/462462716.db2.gz WTKOKRQVEHONSA-XJKSGUPXSA-N 2 2 331.485 3.200 20 0 EGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cnc2ccsc2c1 ZINC000658295990 462462727 /nfs/dbraw/zinc/46/27/27/462462727.db2.gz WTKOKRQVEHONSA-CJNGLKHVSA-N 2 2 331.485 3.200 20 0 EGADLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296822 462462945 /nfs/dbraw/zinc/46/29/45/462462945.db2.gz WGCVDCOBBOJQHK-KBXCAEBGSA-N 2 2 338.442 3.129 20 0 EGADLP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000649401583 462499846 /nfs/dbraw/zinc/49/98/46/462499846.db2.gz GWLISQDNLJBOHM-APWZRJJASA-N 2 2 325.456 3.123 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000646135029 462523865 /nfs/dbraw/zinc/52/38/65/462523865.db2.gz ATJZVJBBAOORAG-SFHVURJKSA-N 2 2 344.499 3.052 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2(CCCC2)O1 ZINC000646135029 462523868 /nfs/dbraw/zinc/52/38/68/462523868.db2.gz ATJZVJBBAOORAG-SFHVURJKSA-N 2 2 344.499 3.052 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000662152778 462532107 /nfs/dbraw/zinc/53/21/07/462532107.db2.gz ZQXNXIRFJFIVDF-OAQYLSRUSA-N 2 2 328.500 3.375 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC000662152778 462532108 /nfs/dbraw/zinc/53/21/08/462532108.db2.gz ZQXNXIRFJFIVDF-OAQYLSRUSA-N 2 2 328.500 3.375 20 0 EGADLP CCc1cc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542019996 468384606 /nfs/dbraw/zinc/38/46/06/468384606.db2.gz NSODIUBOZYLQKQ-DNVCBOLYSA-N 2 2 340.471 3.049 20 0 EGADLP CCc1cc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(C)[nH+]1 ZINC000542019996 468384610 /nfs/dbraw/zinc/38/46/10/468384610.db2.gz NSODIUBOZYLQKQ-DNVCBOLYSA-N 2 2 340.471 3.049 20 0 EGADLP C[C@H]([NH2+]c1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[C@@H]1CCOC1 ZINC000179782023 534024593 /nfs/dbraw/zinc/02/45/93/534024593.db2.gz OGBUONMNIBYZPG-LSDHHAIUSA-N 2 2 335.467 3.193 20 0 EGADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184220716 534680896 /nfs/dbraw/zinc/68/08/96/534680896.db2.gz IYCJMQCPVHJBLQ-UHFFFAOYSA-N 2 2 342.487 3.150 20 0 EGADLP Cc1nn(C)cc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000178166664 534849273 /nfs/dbraw/zinc/84/92/73/534849273.db2.gz AWSPNQVTXDTDMP-INIZCTEOSA-N 2 2 326.488 3.352 20 0 EGADLP Brc1ccc(C[NH2+]CCCn2cc[nH+]c2)c2ncccc12 ZINC000166406441 526640874 /nfs/dbraw/zinc/64/08/74/526640874.db2.gz KMCNUYJNJLBAIE-UHFFFAOYSA-N 2 2 345.244 3.374 20 0 EGADLP CC(C)(COc1ncccc1C(F)(F)F)[NH2+]CCCn1cc[nH+]c1 ZINC000181659170 527223642 /nfs/dbraw/zinc/22/36/42/527223642.db2.gz WDGGOWFZRXPITE-UHFFFAOYSA-N 2 2 342.365 3.134 20 0 EGADLP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2OCOC)CC1 ZINC000164342385 528461687 /nfs/dbraw/zinc/46/16/87/528461687.db2.gz MJMPDMNASQXNFP-UHFFFAOYSA-N 2 2 336.476 3.032 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181110557 528563790 /nfs/dbraw/zinc/56/37/90/528563790.db2.gz NCCXQMAUGARLRT-IBGZPJMESA-N 2 2 342.487 3.109 20 0 EGADLP CC(C)C[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000181110557 528563794 /nfs/dbraw/zinc/56/37/94/528563794.db2.gz NCCXQMAUGARLRT-IBGZPJMESA-N 2 2 342.487 3.109 20 0 EGADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246512400 535897327 /nfs/dbraw/zinc/89/73/27/535897327.db2.gz IGGGRNXCXGKAAO-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246512400 535897331 /nfs/dbraw/zinc/89/73/31/535897331.db2.gz IGGGRNXCXGKAAO-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246512400 535897335 /nfs/dbraw/zinc/89/73/35/535897335.db2.gz IGGGRNXCXGKAAO-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246512400 535897338 /nfs/dbraw/zinc/89/73/38/535897338.db2.gz IGGGRNXCXGKAAO-FXAWDEMLSA-N 2 2 341.499 3.136 20 0 EGADLP COc1ccc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000187072619 537052045 /nfs/dbraw/zinc/05/20/45/537052045.db2.gz GTMOJJNUJIRFDB-CQSZACIVSA-N 2 2 331.485 3.223 20 0 EGADLP COc1ccc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000187072619 537052048 /nfs/dbraw/zinc/05/20/48/537052048.db2.gz GTMOJJNUJIRFDB-CQSZACIVSA-N 2 2 331.485 3.223 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)C1 ZINC000189106758 547156125 /nfs/dbraw/zinc/15/61/25/547156125.db2.gz DZOLBPGWEFBTFB-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc2)C1 ZINC000189106758 547156129 /nfs/dbraw/zinc/15/61/29/547156129.db2.gz DZOLBPGWEFBTFB-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)C1 ZINC000189106758 547156131 /nfs/dbraw/zinc/15/61/31/547156131.db2.gz DZOLBPGWEFBTFB-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc2)C1 ZINC000189106758 547156132 /nfs/dbraw/zinc/15/61/32/547156132.db2.gz DZOLBPGWEFBTFB-HNNXBMFYSA-N 2 2 326.444 3.213 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)c(Cl)s3)C[C@@H]12 ZINC000261545139 547324349 /nfs/dbraw/zinc/32/43/49/547324349.db2.gz FQHISRPJDAATAC-BCMRRPTOSA-N 2 2 335.698 3.333 20 0 EGADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)c(Cl)s3)C[C@@H]12 ZINC000261545139 547324353 /nfs/dbraw/zinc/32/43/53/547324353.db2.gz FQHISRPJDAATAC-BCMRRPTOSA-N 2 2 335.698 3.333 20 0 EGADLP COCCC[NH+]1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000285465367 547389622 /nfs/dbraw/zinc/38/96/22/547389622.db2.gz NGZHAQQGEGNVRU-UHFFFAOYSA-N 2 2 347.322 3.101 20 0 EGADLP CC[NH+](CC)C[C@H](C)NC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354511384 547708091 /nfs/dbraw/zinc/70/80/91/547708091.db2.gz ZOCUTHWUXYDDTD-HNNXBMFYSA-N 2 2 342.487 3.150 20 0 EGADLP CCc1cc(N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000359703153 547753232 /nfs/dbraw/zinc/75/32/32/547753232.db2.gz JCPKWKGOWDRSCU-UHFFFAOYSA-N 2 2 334.414 3.194 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C(C)(C)C ZINC000670266985 548194115 /nfs/dbraw/zinc/19/41/15/548194115.db2.gz LFXPGGMHXJGLHM-QGZVFWFLSA-N 2 2 334.504 3.169 20 0 EGADLP Fc1cccc(-n2ccc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)c1 ZINC000672554887 548446901 /nfs/dbraw/zinc/44/69/01/548446901.db2.gz KMINFYXCHFQSSB-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP Fc1cccc(-n2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)n2)c1 ZINC000672554887 548446906 /nfs/dbraw/zinc/44/69/06/548446906.db2.gz KMINFYXCHFQSSB-LJQANCHMSA-N 2 2 338.386 3.060 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000674304060 548721264 /nfs/dbraw/zinc/72/12/64/548721264.db2.gz PLSHAGPERCSSKA-KRWDZBQOSA-N 2 2 337.427 3.002 20 0 EGADLP Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000674304060 548721268 /nfs/dbraw/zinc/72/12/68/548721268.db2.gz PLSHAGPERCSSKA-KRWDZBQOSA-N 2 2 337.427 3.002 20 0 EGADLP Clc1cccc2c1OC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675882656 548996945 /nfs/dbraw/zinc/99/69/45/548996945.db2.gz UAVMEQSTBCOIBJ-WMLDXEAASA-N 2 2 336.863 3.007 20 0 EGADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476781 549094162 /nfs/dbraw/zinc/09/41/62/549094162.db2.gz BDKGPWJGOCYZGM-WMZOPIPTSA-N 2 2 332.492 3.090 20 0 EGADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C1CCCCC1 ZINC000676476781 549094166 /nfs/dbraw/zinc/09/41/66/549094166.db2.gz BDKGPWJGOCYZGM-WMZOPIPTSA-N 2 2 332.492 3.090 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677440175 549272089 /nfs/dbraw/zinc/27/20/89/549272089.db2.gz KTXIFICVURBLIU-AWEZNQCLSA-N 2 2 332.835 3.121 20 0 EGADLP Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677440175 549272093 /nfs/dbraw/zinc/27/20/93/549272093.db2.gz KTXIFICVURBLIU-AWEZNQCLSA-N 2 2 332.835 3.121 20 0 EGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000678258996 549448423 /nfs/dbraw/zinc/44/84/23/549448423.db2.gz UTUQPHHIXWASAZ-NLJSWGTCSA-N 2 2 333.907 3.065 20 0 EGADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000678258996 549448427 /nfs/dbraw/zinc/44/84/27/549448427.db2.gz UTUQPHHIXWASAZ-NLJSWGTCSA-N 2 2 333.907 3.065 20 0 EGADLP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782195 549561336 /nfs/dbraw/zinc/56/13/36/549561336.db2.gz JKQJRFCJRZZMMK-HOTGVXAUSA-N 2 2 330.394 3.467 20 0 EGADLP COC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000678782195 549561341 /nfs/dbraw/zinc/56/13/41/549561341.db2.gz JKQJRFCJRZZMMK-HOTGVXAUSA-N 2 2 330.394 3.467 20 0 EGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000679342863 549692178 /nfs/dbraw/zinc/69/21/78/549692178.db2.gz YCZQYEPLDXKKNN-HNNXBMFYSA-N 2 2 334.508 3.182 20 0 EGADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000679342863 549692182 /nfs/dbraw/zinc/69/21/82/549692182.db2.gz YCZQYEPLDXKKNN-HNNXBMFYSA-N 2 2 334.508 3.182 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680397648 549862018 /nfs/dbraw/zinc/86/20/18/549862018.db2.gz VLIUIYLARWPKEM-FUHWJXTLSA-N 2 2 337.552 3.076 20 0 EGADLP C[C@@H](CCC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680397648 549862020 /nfs/dbraw/zinc/86/20/20/549862020.db2.gz VLIUIYLARWPKEM-FUHWJXTLSA-N 2 2 337.552 3.076 20 0 EGADLP Fc1ccc(Cn2cc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000682154133 550077794 /nfs/dbraw/zinc/07/77/94/550077794.db2.gz ULJPCIYPOUGVHZ-IBGZPJMESA-N 2 2 339.418 3.104 20 0 EGADLP Fc1ccc(Cn2cc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000682154133 550077796 /nfs/dbraw/zinc/07/77/96/550077796.db2.gz ULJPCIYPOUGVHZ-IBGZPJMESA-N 2 2 339.418 3.104 20 0 EGADLP Fc1ccc(Cn2cc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000682154134 550077974 /nfs/dbraw/zinc/07/79/74/550077974.db2.gz ULJPCIYPOUGVHZ-LJQANCHMSA-N 2 2 339.418 3.104 20 0 EGADLP Fc1ccc(Cn2cc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000682154134 550077977 /nfs/dbraw/zinc/07/79/77/550077977.db2.gz ULJPCIYPOUGVHZ-LJQANCHMSA-N 2 2 339.418 3.104 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616000 550120534 /nfs/dbraw/zinc/12/05/34/550120534.db2.gz OVCVNDDOOCWNCX-HOJAQTOUSA-N 2 2 340.515 3.412 20 0 EGADLP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000682616000 550120538 /nfs/dbraw/zinc/12/05/38/550120538.db2.gz OVCVNDDOOCWNCX-HOJAQTOUSA-N 2 2 340.515 3.412 20 0 EGADLP COc1cccc2c1CC[C@@H]([NH2+]CCc1cn3cccc(C)c3[nH+]1)C2 ZINC000683160326 550198688 /nfs/dbraw/zinc/19/86/88/550198688.db2.gz LRGLYDPGJWASHS-QGZVFWFLSA-N 2 2 335.451 3.341 20 0 EGADLP C[NH+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1)c1ccccc1 ZINC000685326913 550411438 /nfs/dbraw/zinc/41/14/38/550411438.db2.gz PMFZKQPQOJVFOF-HMQMGEFJSA-N 2 2 326.444 3.061 20 0 EGADLP C[NH+](C)[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000685326913 550411441 /nfs/dbraw/zinc/41/14/41/550411441.db2.gz PMFZKQPQOJVFOF-HMQMGEFJSA-N 2 2 326.444 3.061 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000727465558 574669538 /nfs/dbraw/zinc/66/95/38/574669538.db2.gz BSADHHWJPKAGBN-BBWFWOEESA-N 2 2 339.524 3.238 20 0 EGADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000727465558 574669539 /nfs/dbraw/zinc/66/95/39/574669539.db2.gz BSADHHWJPKAGBN-BBWFWOEESA-N 2 2 339.524 3.238 20 0 EGADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000729681807 574878157 /nfs/dbraw/zinc/87/81/57/574878157.db2.gz JZNGUNOHSUKXNZ-OAQYLSRUSA-N 2 2 346.478 3.392 20 0 EGADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000729681807 574878159 /nfs/dbraw/zinc/87/81/59/574878159.db2.gz JZNGUNOHSUKXNZ-OAQYLSRUSA-N 2 2 346.478 3.392 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1C ZINC000729920192 574895706 /nfs/dbraw/zinc/89/57/06/574895706.db2.gz KMCZKEHIQWNESV-KRWDZBQOSA-N 2 2 337.423 3.443 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc(=O)oc2c1C ZINC000729920192 574895709 /nfs/dbraw/zinc/89/57/09/574895709.db2.gz KMCZKEHIQWNESV-KRWDZBQOSA-N 2 2 337.423 3.443 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000731871071 575213714 /nfs/dbraw/zinc/21/37/14/575213714.db2.gz DBYKVOPWUCOOHT-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000731871071 575213717 /nfs/dbraw/zinc/21/37/17/575213717.db2.gz DBYKVOPWUCOOHT-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000732279738 575254211 /nfs/dbraw/zinc/25/42/11/575254211.db2.gz XUGFLXDIJIQSPV-UHFFFAOYSA-N 2 2 335.492 3.178 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000732279738 575254213 /nfs/dbraw/zinc/25/42/13/575254213.db2.gz XUGFLXDIJIQSPV-UHFFFAOYSA-N 2 2 335.492 3.178 20 0 EGADLP COc1cccc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)oc21 ZINC000733330854 575328754 /nfs/dbraw/zinc/32/87/54/575328754.db2.gz QHRFTKPOHUCBRP-KRWDZBQOSA-N 2 2 344.455 3.174 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693906 576184139 /nfs/dbraw/zinc/18/41/39/576184139.db2.gz HMOHBJIPLATDJO-KBXCAEBGSA-N 2 2 333.451 3.149 20 0 EGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693906 576184142 /nfs/dbraw/zinc/18/41/42/576184142.db2.gz HMOHBJIPLATDJO-KBXCAEBGSA-N 2 2 333.451 3.149 20 0 EGADLP c1cc(-c2ccn(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cs1 ZINC000742168556 576754799 /nfs/dbraw/zinc/75/47/99/576754799.db2.gz CRZJEJMOYIEZJU-INIZCTEOSA-N 2 2 330.501 3.377 20 0 EGADLP c1cc(-c2ccn(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cs1 ZINC000742168556 576754800 /nfs/dbraw/zinc/75/48/00/576754800.db2.gz CRZJEJMOYIEZJU-INIZCTEOSA-N 2 2 330.501 3.377 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846226 576816803 /nfs/dbraw/zinc/81/68/03/576816803.db2.gz GMWDGJIVHOSRBX-RBUKOAKNSA-N 2 2 338.455 3.024 20 0 EGADLP Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cc1 ZINC000743846226 576816804 /nfs/dbraw/zinc/81/68/04/576816804.db2.gz GMWDGJIVHOSRBX-RBUKOAKNSA-N 2 2 338.455 3.024 20 0 EGADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000379454977 1297532723 /nfs/dbraw/zinc/53/27/23/1297532723.db2.gz NJCVBONFRWJSAR-ZACQAIPSSA-N 2 2 339.524 3.286 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000585094157 1298027461 /nfs/dbraw/zinc/02/74/61/1298027461.db2.gz KJRGECJMISZTTD-SLYNCCJLSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000585094157 1298027468 /nfs/dbraw/zinc/02/74/68/1298027468.db2.gz KJRGECJMISZTTD-SLYNCCJLSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094157 1298027480 /nfs/dbraw/zinc/02/74/80/1298027480.db2.gz KJRGECJMISZTTD-SLYNCCJLSA-N 2 2 339.483 3.100 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccccn2)CC[NH+]1Cc1ccccc1 ZINC000585094157 1298027483 /nfs/dbraw/zinc/02/74/83/1298027483.db2.gz KJRGECJMISZTTD-SLYNCCJLSA-N 2 2 339.483 3.100 20 0 EGADLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[NH2+][C@H]21 ZINC000693698135 1298151170 /nfs/dbraw/zinc/15/11/70/1298151170.db2.gz TWQRCQVVVYRPIK-XUVXKRRUSA-N 3 2 327.516 3.017 20 0 EGADLP CC(=O)Nc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000042187198 1291433646 /nfs/dbraw/zinc/43/36/46/1291433646.db2.gz VYSUENFYOFRUAL-UHFFFAOYSA-N 2 2 338.386 3.260 20 0 EGADLP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)n1cc[nH+]c1 ZINC000045858632 1291519276 /nfs/dbraw/zinc/51/92/76/1291519276.db2.gz NHFWAGJRFWNEPC-HZPDHXFCSA-N 2 2 346.500 3.095 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)n1cc[nH+]c1 ZINC000053721989 1291729334 /nfs/dbraw/zinc/72/93/34/1291729334.db2.gz DMGYGBFQHJRCRC-HZPDHXFCSA-N 2 2 326.444 3.457 20 0 EGADLP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)n1cc[nH+]c1 ZINC000053721989 1291729337 /nfs/dbraw/zinc/72/93/37/1291729337.db2.gz DMGYGBFQHJRCRC-HZPDHXFCSA-N 2 2 326.444 3.457 20 0 EGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3F)c2)CCO1 ZINC000063524744 1292014647 /nfs/dbraw/zinc/01/46/47/1292014647.db2.gz GHWHZQYHMRGVHE-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)cc3F)c2)CCO1 ZINC000063524744 1292014659 /nfs/dbraw/zinc/01/46/59/1292014659.db2.gz GHWHZQYHMRGVHE-HNNXBMFYSA-N 2 2 346.421 3.475 20 0 EGADLP Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000065014100 1292070017 /nfs/dbraw/zinc/07/00/17/1292070017.db2.gz GWDNZJMSRJFQON-UHFFFAOYSA-N 2 2 346.496 3.057 20 0 EGADLP CCOC(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000079045066 1292542000 /nfs/dbraw/zinc/54/20/00/1292542000.db2.gz QLCRCBSLMJIBMW-IBGZPJMESA-N 2 2 347.503 3.280 20 0 EGADLP CC1([NH+]2CCCC2)CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000830001816 1292651497 /nfs/dbraw/zinc/65/14/97/1292651497.db2.gz XESCSZRZAPRYST-UHFFFAOYSA-N 2 2 326.444 3.090 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000090004036 1292783864 /nfs/dbraw/zinc/78/38/64/1292783864.db2.gz ZRTCENXHPMHLSB-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000090004036 1292783868 /nfs/dbraw/zinc/78/38/68/1292783868.db2.gz ZRTCENXHPMHLSB-KRWDZBQOSA-N 2 2 335.455 3.061 20 0 EGADLP CCCCCC[N@H+](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000111579218 1293107150 /nfs/dbraw/zinc/10/71/50/1293107150.db2.gz DXWYHQCTVVXNKL-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP CCCCCC[N@@H+](C)CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000111579218 1293107155 /nfs/dbraw/zinc/10/71/55/1293107155.db2.gz DXWYHQCTVVXNKL-UHFFFAOYSA-N 2 2 328.460 3.001 20 0 EGADLP CO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C12CCC2 ZINC000834601786 1293121423 /nfs/dbraw/zinc/12/14/23/1293121423.db2.gz AFWFLOQRSHDXIC-VQTJNVASSA-N 2 2 343.515 3.269 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850858 1293156440 /nfs/dbraw/zinc/15/64/40/1293156440.db2.gz QXUYKQXUPRYKSW-HIFRSBDPSA-N 2 2 344.471 3.499 20 0 EGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(SC(F)F)cc1 ZINC000834850858 1293156444 /nfs/dbraw/zinc/15/64/44/1293156444.db2.gz QXUYKQXUPRYKSW-HIFRSBDPSA-N 2 2 344.471 3.499 20 0 EGADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)C1 ZINC000122331666 1293409275 /nfs/dbraw/zinc/40/92/75/1293409275.db2.gz CJAWPYVOGDBSJK-DYESRHJHSA-N 3 2 344.547 3.041 20 0 EGADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)[C@H](C)C1 ZINC000122331666 1293409281 /nfs/dbraw/zinc/40/92/81/1293409281.db2.gz CJAWPYVOGDBSJK-DYESRHJHSA-N 3 2 344.547 3.041 20 0 EGADLP CCn1nc(C)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C ZINC000131108168 1293679171 /nfs/dbraw/zinc/67/91/71/1293679171.db2.gz RYCLOTSKAWNDIS-MRXNPFEDSA-N 2 2 341.503 3.230 20 0 EGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(N)=O)cs2)CC1 ZINC000132790656 1293729526 /nfs/dbraw/zinc/72/95/26/1293729526.db2.gz FOQDECIDYKYMSP-CQSZACIVSA-N 2 2 343.496 3.162 20 0 EGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1Cl ZINC000151118787 1293909445 /nfs/dbraw/zinc/90/94/45/1293909445.db2.gz LWJABRMYHIPLEV-HNNXBMFYSA-N 2 2 348.878 3.114 20 0 EGADLP FC(F)(F)c1ccn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000155074637 1294082817 /nfs/dbraw/zinc/08/28/17/1294082817.db2.gz JKQDPXNBBHETAN-UHFFFAOYSA-N 2 2 344.425 3.447 20 0 EGADLP c1nn(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157994995 1294193170 /nfs/dbraw/zinc/19/31/70/1294193170.db2.gz CEDINSGQMQDOPT-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157994995 1294193175 /nfs/dbraw/zinc/19/31/75/1294193175.db2.gz CEDINSGQMQDOPT-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157994995 1294193178 /nfs/dbraw/zinc/19/31/78/1294193178.db2.gz CEDINSGQMQDOPT-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP c1nn(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1-c1ccccc1 ZINC000157994995 1294193183 /nfs/dbraw/zinc/19/31/83/1294193183.db2.gz CEDINSGQMQDOPT-WIYYLYMNSA-N 2 2 336.483 3.456 20 0 EGADLP CC(C)(C)OC(=O)N1CCC(C[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000177552630 1294677952 /nfs/dbraw/zinc/67/79/52/1294677952.db2.gz AXAKIFVSRPTFHJ-UHFFFAOYSA-N 2 2 339.524 3.099 20 0 EGADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182715904 1295068911 /nfs/dbraw/zinc/06/89/11/1295068911.db2.gz CRQIUOQOHRUCQA-IAGOWNOFSA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182715884 1295069741 /nfs/dbraw/zinc/06/97/41/1295069741.db2.gz CRQIUOQOHRUCQA-DLBZAZTESA-N 2 2 339.524 3.240 20 0 EGADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)cc(F)c1O ZINC000184899696 1295227668 /nfs/dbraw/zinc/22/76/68/1295227668.db2.gz ZKMLVXYHQNFGMQ-LLVKDONJSA-N 2 2 345.256 3.430 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114664 1295367637 /nfs/dbraw/zinc/36/76/37/1295367637.db2.gz NGBGRLYNNLPBEY-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114664 1295367646 /nfs/dbraw/zinc/36/76/46/1295367646.db2.gz NGBGRLYNNLPBEY-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114664 1295367650 /nfs/dbraw/zinc/36/76/50/1295367650.db2.gz NGBGRLYNNLPBEY-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000187114664 1295367659 /nfs/dbraw/zinc/36/76/59/1295367659.db2.gz NGBGRLYNNLPBEY-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP Fc1cc2ncn(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000246579350 1296361073 /nfs/dbraw/zinc/36/10/73/1296361073.db2.gz SBBMGKFZNLLARA-SCLBCKFNSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2cc1F ZINC000246579350 1296361081 /nfs/dbraw/zinc/36/10/81/1296361081.db2.gz SBBMGKFZNLLARA-SCLBCKFNSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2cc1F ZINC000246579350 1296361097 /nfs/dbraw/zinc/36/10/97/1296361097.db2.gz SBBMGKFZNLLARA-SCLBCKFNSA-N 2 2 346.425 3.221 20 0 EGADLP Fc1cc2ncn(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2cc1F ZINC000246579350 1296361109 /nfs/dbraw/zinc/36/11/09/1296361109.db2.gz SBBMGKFZNLLARA-SCLBCKFNSA-N 2 2 346.425 3.221 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000246694128 1296366929 /nfs/dbraw/zinc/36/69/29/1296366929.db2.gz ZROHSQFUVVHTCQ-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000246694128 1296366939 /nfs/dbraw/zinc/36/69/39/1296366939.db2.gz ZROHSQFUVVHTCQ-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000246694128 1296366948 /nfs/dbraw/zinc/36/69/48/1296366948.db2.gz ZROHSQFUVVHTCQ-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000246694128 1296366960 /nfs/dbraw/zinc/36/69/60/1296366960.db2.gz ZROHSQFUVVHTCQ-SJORKVTESA-N 2 2 339.524 3.098 20 0 EGADLP CC[C@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000872071503 1296717020 /nfs/dbraw/zinc/71/70/20/1296717020.db2.gz QIFWRXVYUUOXFF-XUBOLADHSA-N 2 2 349.563 3.409 20 0 EGADLP CC[C@H](CC1CCCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000872071503 1296717029 /nfs/dbraw/zinc/71/70/29/1296717029.db2.gz QIFWRXVYUUOXFF-XUBOLADHSA-N 2 2 349.563 3.409 20 0 EGADLP Cc1sc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000873024840 1297232074 /nfs/dbraw/zinc/23/20/74/1297232074.db2.gz BXIWBWMWMPJLBA-JTQLQIEISA-N 2 2 328.279 3.441 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378875793 1297523796 /nfs/dbraw/zinc/52/37/96/1297523796.db2.gz ZXZXGOAZFREUFA-ZDUSSCGKSA-N 2 2 333.395 3.305 20 0 EGADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)CC2 ZINC000378900936 1297526369 /nfs/dbraw/zinc/52/63/69/1297526369.db2.gz CHSJIDYEWQGYJQ-IEBWSBKVSA-N 2 2 327.472 3.454 20 0 EGADLP C[NH+](C)CCCC(C)(C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000387201521 1297597002 /nfs/dbraw/zinc/59/70/02/1297597002.db2.gz OIJVPFRWFRGVHT-UHFFFAOYSA-N 2 2 338.459 3.348 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3Cl)C[C@@H]2C1 ZINC000388702396 1297604612 /nfs/dbraw/zinc/60/46/12/1297604612.db2.gz WAVHLONFQWMATE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)cc3Cl)C[C@@H]2C1 ZINC000388702396 1297604601 /nfs/dbraw/zinc/60/46/01/1297604601.db2.gz WAVHLONFQWMATE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)cc3Cl)C[C@@H]2C1 ZINC000388702396 1297604606 /nfs/dbraw/zinc/60/46/06/1297604606.db2.gz WAVHLONFQWMATE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3Cl)C[C@@H]2C1 ZINC000388702396 1297604617 /nfs/dbraw/zinc/60/46/17/1297604617.db2.gz WAVHLONFQWMATE-YPMHNXCESA-N 2 2 343.696 3.486 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000389187684 1297607351 /nfs/dbraw/zinc/60/73/51/1297607351.db2.gz SVPNMILRZRYVJD-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000389187684 1297607364 /nfs/dbraw/zinc/60/73/64/1297607364.db2.gz SVPNMILRZRYVJD-HNNXBMFYSA-N 2 2 327.513 3.096 20 0 EGADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548713 1297609691 /nfs/dbraw/zinc/60/96/91/1297609691.db2.gz NMGDOFHUBBXSED-SJORKVTESA-N 2 2 337.305 3.380 20 0 EGADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000389548713 1297609699 /nfs/dbraw/zinc/60/96/99/1297609699.db2.gz NMGDOFHUBBXSED-SJORKVTESA-N 2 2 337.305 3.380 20 0 EGADLP C[C@H](C[NH2+]Cc1cccc(Br)c1F)C[NH+]1CCCC1 ZINC000395014067 1297681725 /nfs/dbraw/zinc/68/17/25/1297681725.db2.gz NBSWIZMXQDZBOO-GFCCVEGCSA-N 2 2 329.257 3.410 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059428 1297714492 /nfs/dbraw/zinc/71/44/92/1297714492.db2.gz AXVJNWZAEJSQGT-WIYYLYMNSA-N 3 2 329.532 3.361 20 0 EGADLP CCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398059428 1297714497 /nfs/dbraw/zinc/71/44/97/1297714497.db2.gz AXVJNWZAEJSQGT-WIYYLYMNSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793705 1297860227 /nfs/dbraw/zinc/86/02/27/1297860227.db2.gz QGJAQUTXBYCJQF-OLZOCXBDSA-N 2 2 343.456 3.472 20 0 EGADLP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793705 1297860237 /nfs/dbraw/zinc/86/02/37/1297860237.db2.gz QGJAQUTXBYCJQF-OLZOCXBDSA-N 2 2 343.456 3.472 20 0 EGADLP c1ccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2CCC[NH2+]C2)CC3)cc1 ZINC000691917802 1298138987 /nfs/dbraw/zinc/13/89/87/1298138987.db2.gz NBYWOVKEXSNSKZ-HXUWFJFHSA-N 3 2 327.516 3.117 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC000693879505 1298153710 /nfs/dbraw/zinc/15/37/10/1298153710.db2.gz SMAFGKZTSJRBDJ-OAHLLOKOSA-N 2 2 341.540 3.484 20 0 EGADLP CC(C)(C)OC(=O)N(CC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000693879505 1298153716 /nfs/dbraw/zinc/15/37/16/1298153716.db2.gz SMAFGKZTSJRBDJ-OAHLLOKOSA-N 2 2 341.540 3.484 20 0 EGADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000876988885 1299101940 /nfs/dbraw/zinc/10/19/40/1299101940.db2.gz MAORHNUXSLMUFK-CYBMUJFWSA-N 2 2 336.892 3.193 20 0 EGADLP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000876988885 1299101949 /nfs/dbraw/zinc/10/19/49/1299101949.db2.gz MAORHNUXSLMUFK-CYBMUJFWSA-N 2 2 336.892 3.193 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@@H+]1Cc1ccccc1 ZINC000877076200 1299147285 /nfs/dbraw/zinc/14/72/85/1299147285.db2.gz NVIUZMGWGMZCFH-GDBMZVCRSA-N 2 2 330.863 3.273 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)nn2)CC[N@H+]1Cc1ccccc1 ZINC000877076200 1299147290 /nfs/dbraw/zinc/14/72/90/1299147290.db2.gz NVIUZMGWGMZCFH-GDBMZVCRSA-N 2 2 330.863 3.273 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000749355827 1299200007 /nfs/dbraw/zinc/20/00/07/1299200007.db2.gz ULSDHBBCDPWJPJ-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000749355827 1299200014 /nfs/dbraw/zinc/20/00/14/1299200014.db2.gz ULSDHBBCDPWJPJ-AEFFLSMTSA-N 2 2 346.519 3.069 20 0 EGADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000877523335 1299367088 /nfs/dbraw/zinc/36/70/88/1299367088.db2.gz IIRRGCQQNFPEJM-NXOAAHMSSA-N 2 2 339.524 3.094 20 0 EGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665604 1299465841 /nfs/dbraw/zinc/46/58/41/1299465841.db2.gz CGAMABPHIOIORG-WMLDXEAASA-N 2 2 331.410 3.218 20 0 EGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000877665604 1299465847 /nfs/dbraw/zinc/46/58/47/1299465847.db2.gz CGAMABPHIOIORG-WMLDXEAASA-N 2 2 331.410 3.218 20 0 EGADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738180 1299514948 /nfs/dbraw/zinc/51/49/48/1299514948.db2.gz AKDAJUHVONQGFP-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738180 1299514957 /nfs/dbraw/zinc/51/49/57/1299514957.db2.gz AKDAJUHVONQGFP-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738180 1299514964 /nfs/dbraw/zinc/51/49/64/1299514964.db2.gz AKDAJUHVONQGFP-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4F)s3)CC[C@@H]21 ZINC000877738180 1299514975 /nfs/dbraw/zinc/51/49/75/1299514975.db2.gz AKDAJUHVONQGFP-DYVFJYSZSA-N 2 2 331.460 3.475 20 0 EGADLP O[C@@H](C[N@H+](Cc1cc(F)ccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000751777008 1299623883 /nfs/dbraw/zinc/62/38/83/1299623883.db2.gz QMUQOZYQEOMZPJ-GOSISDBHSA-N 2 2 338.442 3.166 20 0 EGADLP O[C@@H](C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1)C[NH+]1CCCC1 ZINC000751777008 1299623890 /nfs/dbraw/zinc/62/38/90/1299623890.db2.gz QMUQOZYQEOMZPJ-GOSISDBHSA-N 2 2 338.442 3.166 20 0 EGADLP COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)co1 ZINC000878196956 1299813930 /nfs/dbraw/zinc/81/39/30/1299813930.db2.gz KAWQODDQXFXZHA-CRAIPNDOSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)co1 ZINC000878196956 1299813943 /nfs/dbraw/zinc/81/39/43/1299813943.db2.gz KAWQODDQXFXZHA-CRAIPNDOSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)co1 ZINC000878196956 1299813958 /nfs/dbraw/zinc/81/39/58/1299813958.db2.gz KAWQODDQXFXZHA-CRAIPNDOSA-N 2 2 341.455 3.266 20 0 EGADLP COc1ccccc1-c1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)co1 ZINC000878196956 1299813968 /nfs/dbraw/zinc/81/39/68/1299813968.db2.gz KAWQODDQXFXZHA-CRAIPNDOSA-N 2 2 341.455 3.266 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@H+](CCc2ccccc2Br)CC1 ZINC000878511172 1300043955 /nfs/dbraw/zinc/04/39/55/1300043955.db2.gz AZGIULSMJASROO-HNNXBMFYSA-N 2 2 325.294 3.408 20 0 EGADLP C[NH+](C)[C@H]1CCC[N@@H+](CCc2ccccc2Br)CC1 ZINC000878511172 1300043972 /nfs/dbraw/zinc/04/39/72/1300043972.db2.gz AZGIULSMJASROO-HNNXBMFYSA-N 2 2 325.294 3.408 20 0 EGADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000754874472 1300235697 /nfs/dbraw/zinc/23/56/97/1300235697.db2.gz XWORQTKDGYDEMI-GOSISDBHSA-N 2 2 329.419 3.129 20 0 EGADLP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000756097051 1300438827 /nfs/dbraw/zinc/43/88/27/1300438827.db2.gz BSYSFRVFVSLPNM-UHFFFAOYSA-N 2 2 346.475 3.145 20 0 EGADLP Cc1cnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nc1 ZINC000758166915 1300797494 /nfs/dbraw/zinc/79/74/94/1300797494.db2.gz UCOGTPATCFEQTI-UHFFFAOYSA-N 2 2 325.460 3.307 20 0 EGADLP C[C@@H](CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205893 1300982241 /nfs/dbraw/zinc/98/22/41/1300982241.db2.gz VRZHDLMDCANDJS-GHTZIAJQSA-N 2 2 346.515 3.215 20 0 EGADLP C[C@@H](CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)OCc1ccccc1 ZINC000880205893 1300982246 /nfs/dbraw/zinc/98/22/46/1300982246.db2.gz VRZHDLMDCANDJS-GHTZIAJQSA-N 2 2 346.515 3.215 20 0 EGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000759153515 1301027366 /nfs/dbraw/zinc/02/73/66/1301027366.db2.gz JAUKBDULSIVFJJ-OAHLLOKOSA-N 2 2 327.513 3.144 20 0 EGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000759153515 1301027370 /nfs/dbraw/zinc/02/73/70/1301027370.db2.gz JAUKBDULSIVFJJ-OAHLLOKOSA-N 2 2 327.513 3.144 20 0 EGADLP COc1ccccc1OCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571151 1301166551 /nfs/dbraw/zinc/16/65/51/1301166551.db2.gz OBBFOJSFQLYVCO-SFHVURJKSA-N 2 2 337.423 3.302 20 0 EGADLP COc1ccccc1OCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571150 1301166597 /nfs/dbraw/zinc/16/65/97/1301166597.db2.gz OBBFOJSFQLYVCO-GOSISDBHSA-N 2 2 337.423 3.302 20 0 EGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853356 1301177787 /nfs/dbraw/zinc/17/77/87/1301177787.db2.gz NDYKUNSVMIRSML-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853356 1301177789 /nfs/dbraw/zinc/17/77/89/1301177789.db2.gz NDYKUNSVMIRSML-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853356 1301177796 /nfs/dbraw/zinc/17/77/96/1301177796.db2.gz NDYKUNSVMIRSML-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000759853356 1301177802 /nfs/dbraw/zinc/17/78/02/1301177802.db2.gz NDYKUNSVMIRSML-GUYCJALGSA-N 2 2 328.859 3.176 20 0 EGADLP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882951256 1302179965 /nfs/dbraw/zinc/17/99/65/1302179965.db2.gz WNNXYIULGJOFMA-QGZVFWFLSA-N 2 2 338.455 3.070 20 0 EGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc(C)on1 ZINC000883208929 1302307407 /nfs/dbraw/zinc/30/74/07/1302307407.db2.gz QXVYZELBZFWTKC-UHFFFAOYSA-N 2 2 327.432 3.287 20 0 EGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCNc3ccccc3)CC2)cc1 ZINC000766516293 1302466452 /nfs/dbraw/zinc/46/64/52/1302466452.db2.gz UXSMJJZKYYDMNG-UHFFFAOYSA-N 2 2 338.499 3.423 20 0 EGADLP CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC000770411208 1303263363 /nfs/dbraw/zinc/26/33/63/1303263363.db2.gz FICLLRVADDBRLH-UHFFFAOYSA-N 2 2 336.439 3.106 20 0 EGADLP c1ccc([C@H](C[NH+]2CCCC2)[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000885913352 1303273242 /nfs/dbraw/zinc/27/32/42/1303273242.db2.gz APPSHRSJEAIWNT-PMACEKPBSA-N 2 2 344.499 3.141 20 0 EGADLP COc1ccc(F)cc1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000886311952 1303430529 /nfs/dbraw/zinc/43/05/29/1303430529.db2.gz NFQKSTMVAPEVBY-UHFFFAOYSA-N 2 2 348.384 3.383 20 0 EGADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(C)c1 ZINC000773049249 1303614745 /nfs/dbraw/zinc/61/47/45/1303614745.db2.gz BWQXIMMQOGSZNV-UHFFFAOYSA-N 2 2 325.456 3.153 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130357 1303685092 /nfs/dbraw/zinc/68/50/92/1303685092.db2.gz BWSBUUSDSFDTJG-CVEARBPZSA-N 2 2 349.438 3.403 20 0 EGADLP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130357 1303685099 /nfs/dbraw/zinc/68/50/99/1303685099.db2.gz BWSBUUSDSFDTJG-CVEARBPZSA-N 2 2 349.438 3.403 20 0 EGADLP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775378857 1303949716 /nfs/dbraw/zinc/94/97/16/1303949716.db2.gz NASKUGPLPHYAMT-FPCVCCKLSA-N 2 2 328.591 3.466 20 0 EGADLP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000775378857 1303949709 /nfs/dbraw/zinc/94/97/09/1303949709.db2.gz NASKUGPLPHYAMT-FPCVCCKLSA-N 2 2 328.591 3.466 20 0 EGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000779065762 1304524835 /nfs/dbraw/zinc/52/48/35/1304524835.db2.gz OWXSVQOGZPUOBH-ONGXEEELSA-N 2 2 325.243 3.438 20 0 EGADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000780740290 1304732429 /nfs/dbraw/zinc/73/24/29/1304732429.db2.gz BIEPCAFHEWXLFR-IRXDYDNUSA-N 2 2 347.503 3.064 20 0 EGADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1c(F)cccc1F ZINC000783029833 1305039238 /nfs/dbraw/zinc/03/92/38/1305039238.db2.gz GQWWARYMWZYHLJ-GOSISDBHSA-N 2 2 349.425 3.387 20 0 EGADLP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000892600668 1305462509 /nfs/dbraw/zinc/46/25/09/1305462509.db2.gz MATIDHNPVRPNHR-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000892600668 1305462515 /nfs/dbraw/zinc/46/25/15/1305462515.db2.gz MATIDHNPVRPNHR-CALCHBBNSA-N 2 2 341.503 3.066 20 0 EGADLP CCn1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(C)n1 ZINC000893082118 1305696807 /nfs/dbraw/zinc/69/68/07/1305696807.db2.gz XNRTXLWXEYZTEQ-UHFFFAOYSA-N 2 2 341.503 3.036 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000893099127 1305706160 /nfs/dbraw/zinc/70/61/60/1305706160.db2.gz WHFRAVSSYPJVHI-WMZOPIPTSA-N 2 2 325.456 3.233 20 0 EGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000893099127 1305706166 /nfs/dbraw/zinc/70/61/66/1305706166.db2.gz WHFRAVSSYPJVHI-WMZOPIPTSA-N 2 2 325.456 3.233 20 0 EGADLP Cc1nc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)sc1C ZINC000893133297 1305725597 /nfs/dbraw/zinc/72/55/97/1305725597.db2.gz AFHOZVBYNCRLTB-UHFFFAOYSA-N 2 2 345.516 3.297 20 0 EGADLP COCCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000894079801 1306206543 /nfs/dbraw/zinc/20/65/43/1306206543.db2.gz HVOUGAFHPYURBY-UHFFFAOYSA-N 2 2 346.427 3.052 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)s1 ZINC000895718189 1309487597 /nfs/dbraw/zinc/48/75/97/1309487597.db2.gz VZZJPOQMGSNVEQ-INIZCTEOSA-N 2 2 337.533 3.233 20 0 EGADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)s1 ZINC000895718189 1309487603 /nfs/dbraw/zinc/48/76/03/1309487603.db2.gz VZZJPOQMGSNVEQ-INIZCTEOSA-N 2 2 337.533 3.233 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000796267800 1309948547 /nfs/dbraw/zinc/94/85/47/1309948547.db2.gz YZRCPFZQODHLBK-STQMWFEESA-N 2 2 339.270 3.358 20 0 EGADLP Clc1nc2cc(Cl)ccn2c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000796267800 1309948552 /nfs/dbraw/zinc/94/85/52/1309948552.db2.gz YZRCPFZQODHLBK-STQMWFEESA-N 2 2 339.270 3.358 20 0 EGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)c2cc3ccccc3s2)s1 ZINC000796321443 1309967053 /nfs/dbraw/zinc/96/70/53/1309967053.db2.gz FZJDVSGUVUYCFJ-CQSZACIVSA-N 2 2 347.509 3.243 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccccc1-n1ccnn1 ZINC000796702339 1310067263 /nfs/dbraw/zinc/06/72/63/1310067263.db2.gz MJLNEHHZRQMWRE-CRAIPNDOSA-N 2 2 338.459 3.229 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000802303785 1316997235 /nfs/dbraw/zinc/99/72/35/1316997235.db2.gz RBZIGUWCHIBEOB-KFKAGJAMSA-N 2 2 330.472 3.242 20 0 EGADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)c2ccccc21 ZINC000802303785 1316997240 /nfs/dbraw/zinc/99/72/40/1316997240.db2.gz RBZIGUWCHIBEOB-KFKAGJAMSA-N 2 2 330.472 3.242 20 0 EGADLP C[NH+](C)C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000802376616 1317003476 /nfs/dbraw/zinc/00/34/76/1317003476.db2.gz SJLFZKVEFHJDFY-OAHLLOKOSA-N 2 2 342.830 3.020 20 0 EGADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001019139542 1317067964 /nfs/dbraw/zinc/06/79/64/1317067964.db2.gz HYHYSTJNCSYLKM-SJORKVTESA-N 2 2 348.450 3.208 20 0 EGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ncccn1 ZINC000929754184 1328689301 /nfs/dbraw/zinc/68/93/01/1328689301.db2.gz CUFYSVDOADNSQV-MRXNPFEDSA-N 2 2 325.460 3.171 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000806132571 1317463130 /nfs/dbraw/zinc/46/31/30/1317463130.db2.gz XQKVTTLTNGPRPJ-CRAIPNDOSA-N 2 2 338.459 3.229 20 0 EGADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cccc(-n2ccnn2)c1 ZINC000806132581 1317463169 /nfs/dbraw/zinc/46/31/69/1317463169.db2.gz XQKVTTLTNGPRPJ-YJBOKZPZSA-N 2 2 338.459 3.229 20 0 EGADLP CCCC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615033 1317498155 /nfs/dbraw/zinc/49/81/55/1317498155.db2.gz UVMJOVXQXXOJOC-SFHVURJKSA-N 2 2 346.519 3.339 20 0 EGADLP CC(C)C[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000957615324 1317498295 /nfs/dbraw/zinc/49/82/95/1317498295.db2.gz XSBCIFCCUFYMCI-SFHVURJKSA-N 2 2 346.519 3.195 20 0 EGADLP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000957636736 1317510614 /nfs/dbraw/zinc/51/06/14/1317510614.db2.gz CNZSZOMSXSCHDN-INIZCTEOSA-N 2 2 346.519 3.011 20 0 EGADLP c1ccc2c(c1)CC[NH+](CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903061828 1317645034 /nfs/dbraw/zinc/64/50/34/1317645034.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 3 2 339.527 3.182 20 0 EGADLP c1ccc2c(c1)CC[NH+](CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903061828 1317645042 /nfs/dbraw/zinc/64/50/42/1317645042.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 3 2 339.527 3.182 20 0 EGADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH+]3C1CC1)C2 ZINC000903061828 1317645048 /nfs/dbraw/zinc/64/50/48/1317645048.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 3 2 339.527 3.182 20 0 EGADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1C[C@H]3CC[C@@H](C1)[NH+]3C1CC1)C2 ZINC000903061828 1317645054 /nfs/dbraw/zinc/64/50/54/1317645054.db2.gz KRBJYLHXFNZTGJ-XDNSSPFJSA-N 3 2 339.527 3.182 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001020388827 1317675317 /nfs/dbraw/zinc/67/53/17/1317675317.db2.gz OPXDRGVBGWCRPR-ULQDDVLXSA-N 2 2 348.450 3.254 20 0 EGADLP CC1([NH+]2CCCC2)CCC([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000903254212 1317680991 /nfs/dbraw/zinc/68/09/91/1317680991.db2.gz RMTKJYXFANJWCG-QPIRBTGLSA-N 2 2 339.487 3.281 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000903739130 1317728315 /nfs/dbraw/zinc/72/83/15/1317728315.db2.gz CRJADZKHFJFRON-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000903739130 1317728319 /nfs/dbraw/zinc/72/83/19/1317728319.db2.gz CRJADZKHFJFRON-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739130 1317728328 /nfs/dbraw/zinc/72/83/28/1317728328.db2.gz CRJADZKHFJFRON-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000903739130 1317728332 /nfs/dbraw/zinc/72/83/32/1317728332.db2.gz CRJADZKHFJFRON-GIVPXCGWSA-N 3 2 329.532 3.361 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccsc3)no2)CCC1 ZINC000903816222 1317737925 /nfs/dbraw/zinc/73/79/25/1317737925.db2.gz WPNWOWGRBXIDLM-CQSZACIVSA-N 2 2 332.473 3.282 20 0 EGADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nc(-c3ccsc3)no2)CCC1 ZINC000903816222 1317737930 /nfs/dbraw/zinc/73/79/30/1317737930.db2.gz WPNWOWGRBXIDLM-CQSZACIVSA-N 2 2 332.473 3.282 20 0 EGADLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)Nc1c(Cl)cccc1Cl ZINC000903863217 1317739194 /nfs/dbraw/zinc/73/91/94/1317739194.db2.gz AFYBURSQHSWGDT-MRXNPFEDSA-N 2 2 342.270 3.150 20 0 EGADLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)Nc1c(Cl)cccc1Cl ZINC000903863217 1317739201 /nfs/dbraw/zinc/73/92/01/1317739201.db2.gz AFYBURSQHSWGDT-MRXNPFEDSA-N 2 2 342.270 3.150 20 0 EGADLP COc1ccc(OC)c(C[N@H+](C[C@@H]([NH3+])CC(F)F)C(C)(C)C)c1 ZINC000903880499 1317740736 /nfs/dbraw/zinc/74/07/36/1317740736.db2.gz RHBZTVNHQDSXOH-ZDUSSCGKSA-N 2 2 330.419 3.287 20 0 EGADLP COc1ccc(OC)c(C[N@@H+](C[C@@H]([NH3+])CC(F)F)C(C)(C)C)c1 ZINC000903880499 1317740741 /nfs/dbraw/zinc/74/07/41/1317740741.db2.gz RHBZTVNHQDSXOH-ZDUSSCGKSA-N 2 2 330.419 3.287 20 0 EGADLP CC(C)CC[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858241749 1328719998 /nfs/dbraw/zinc/71/99/98/1328719998.db2.gz ZXTBXAXQPQULRE-SFHVURJKSA-N 2 2 333.520 3.108 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000904305609 1317826928 /nfs/dbraw/zinc/82/69/28/1317826928.db2.gz QMCXPJMKWTXSPX-JKSUJKDBSA-N 2 2 329.492 3.062 20 0 EGADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000904305609 1317826940 /nfs/dbraw/zinc/82/69/40/1317826940.db2.gz QMCXPJMKWTXSPX-JKSUJKDBSA-N 2 2 329.492 3.062 20 0 EGADLP CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000958790975 1317846515 /nfs/dbraw/zinc/84/65/15/1317846515.db2.gz LUGFFNCRFGKEPE-FQEVSTJZSA-N 2 2 348.450 3.301 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811466178 1318180387 /nfs/dbraw/zinc/18/03/87/1318180387.db2.gz SNPIMRWHXYURBW-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811466178 1318180393 /nfs/dbraw/zinc/18/03/93/1318180393.db2.gz SNPIMRWHXYURBW-AWEZNQCLSA-N 2 2 346.302 3.321 20 0 EGADLP CC(C)[NH2+]C1CC[NH+](Cc2cnc(N(C)C)c3ccccc23)CC1 ZINC000929961836 1328750167 /nfs/dbraw/zinc/75/01/67/1328750167.db2.gz ODYPDNVYDCQSRU-UHFFFAOYSA-N 2 2 326.488 3.263 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001021394554 1318230439 /nfs/dbraw/zinc/23/04/39/1318230439.db2.gz MCRFKBAFQDECSA-JLYLLQBASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC001021394554 1318230448 /nfs/dbraw/zinc/23/04/48/1318230448.db2.gz MCRFKBAFQDECSA-JLYLLQBASA-N 2 2 344.503 3.034 20 0 EGADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960047000 1318329082 /nfs/dbraw/zinc/32/90/82/1318329082.db2.gz PSSXBLDDYYRZKR-SFHVURJKSA-N 2 2 348.450 3.347 20 0 EGADLP CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612802 1318459391 /nfs/dbraw/zinc/45/93/91/1318459391.db2.gz GJBLUMUSKIHQMU-BEFAXECRSA-N 2 2 340.471 3.290 20 0 EGADLP CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001021612802 1318459399 /nfs/dbraw/zinc/45/93/99/1318459399.db2.gz GJBLUMUSKIHQMU-BEFAXECRSA-N 2 2 340.471 3.290 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(Br)ncc1F ZINC000858490747 1328777195 /nfs/dbraw/zinc/77/71/95/1328777195.db2.gz NITZKRGUVJYOPM-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(Br)ncc1F ZINC000858490747 1328777201 /nfs/dbraw/zinc/77/72/01/1328777201.db2.gz NITZKRGUVJYOPM-NWDGAFQWSA-N 2 2 344.272 3.366 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H]([NH2+][C@@H](C)c4ccccc4)C3)ccn12 ZINC001022080659 1318791747 /nfs/dbraw/zinc/79/17/47/1318791747.db2.gz LAWGMDLHRZIIEG-ZYSHUDEJSA-N 2 2 348.450 3.254 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1CCC(CC)(CC)C1=O ZINC000817362744 1319338412 /nfs/dbraw/zinc/33/84/12/1319338412.db2.gz XTWVWOLMJGWHPW-UHFFFAOYSA-N 2 2 334.508 3.154 20 0 EGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1CCC(CC)(CC)C1=O ZINC000817362744 1319338421 /nfs/dbraw/zinc/33/84/21/1319338421.db2.gz XTWVWOLMJGWHPW-UHFFFAOYSA-N 2 2 334.508 3.154 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585617 1319709500 /nfs/dbraw/zinc/70/95/00/1319709500.db2.gz IBLZWMDYCCQTPF-HZPDHXFCSA-N 2 2 346.519 3.094 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001023585617 1319709506 /nfs/dbraw/zinc/70/95/06/1319709506.db2.gz IBLZWMDYCCQTPF-HZPDHXFCSA-N 2 2 346.519 3.094 20 0 EGADLP CCCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681165 1319795602 /nfs/dbraw/zinc/79/56/02/1319795602.db2.gz HQMTYFPIUQBKTE-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CCCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001023681165 1319795606 /nfs/dbraw/zinc/79/56/06/1319795606.db2.gz HQMTYFPIUQBKTE-QGZVFWFLSA-N 2 2 340.471 3.114 20 0 EGADLP CCCC[C@H](C)[N@H+](CCCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000840091171 1321026403 /nfs/dbraw/zinc/02/64/03/1321026403.db2.gz JUBKYXOSYOLGRO-DLBZAZTESA-N 2 2 334.508 3.374 20 0 EGADLP CCCC[C@H](C)[N@@H+](CCCC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000840091171 1321026409 /nfs/dbraw/zinc/02/64/09/1321026409.db2.gz JUBKYXOSYOLGRO-DLBZAZTESA-N 2 2 334.508 3.374 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841062197 1321211536 /nfs/dbraw/zinc/21/15/36/1321211536.db2.gz SUIRDGRFOGIVBJ-WMLDXEAASA-N 2 2 346.906 3.432 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3)o2)cc1 ZINC000859212938 1328947223 /nfs/dbraw/zinc/94/72/23/1328947223.db2.gz CYGTUSQAGDLJFX-UHFFFAOYSA-N 2 2 336.439 3.430 20 0 EGADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3)o2)cc1 ZINC000859212938 1328947225 /nfs/dbraw/zinc/94/72/25/1328947225.db2.gz CYGTUSQAGDLJFX-UHFFFAOYSA-N 2 2 336.439 3.430 20 0 EGADLP CC[N@H+](C)[C@H](C(=O)OC[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829899 1321437073 /nfs/dbraw/zinc/43/70/73/1321437073.db2.gz IMAJLCYBBBCOLT-MJGOQNOKSA-N 2 2 332.488 3.343 20 0 EGADLP CC[N@@H+](C)[C@H](C(=O)OC[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000842829899 1321437080 /nfs/dbraw/zinc/43/70/80/1321437080.db2.gz IMAJLCYBBBCOLT-MJGOQNOKSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@H](C(=O)OC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000842829899 1321437082 /nfs/dbraw/zinc/43/70/82/1321437082.db2.gz IMAJLCYBBBCOLT-MJGOQNOKSA-N 2 2 332.488 3.343 20 0 EGADLP CC[NH+](C)[C@H](C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000842829899 1321437085 /nfs/dbraw/zinc/43/70/85/1321437085.db2.gz IMAJLCYBBBCOLT-MJGOQNOKSA-N 2 2 332.488 3.343 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843058734 1321463677 /nfs/dbraw/zinc/46/36/77/1321463677.db2.gz XESGJLLKUKXGHU-BBRMVZONSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843058734 1321463679 /nfs/dbraw/zinc/46/36/79/1321463679.db2.gz XESGJLLKUKXGHU-BBRMVZONSA-N 2 2 332.879 3.062 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843057862 1321464220 /nfs/dbraw/zinc/46/42/20/1321464220.db2.gz MZVMBYRQOBMONJ-RHSMWYFYSA-N 2 2 346.906 3.371 20 0 EGADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843057862 1321464227 /nfs/dbraw/zinc/46/42/27/1321464227.db2.gz MZVMBYRQOBMONJ-RHSMWYFYSA-N 2 2 346.906 3.371 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568985 1321977651 /nfs/dbraw/zinc/97/76/51/1321977651.db2.gz ULPLKXROHKWPJM-SNRMKQJTSA-N 2 2 343.471 3.311 20 0 EGADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000848568985 1321977655 /nfs/dbraw/zinc/97/76/55/1321977655.db2.gz ULPLKXROHKWPJM-SNRMKQJTSA-N 2 2 343.471 3.311 20 0 EGADLP CC[C@H](C)[NH2+][C@@H](CNC(=[NH2+])Nc1cccc(OC)c1)c1ccco1 ZINC000849051360 1322058898 /nfs/dbraw/zinc/05/88/98/1322058898.db2.gz IASJLWMKPQTBLB-BBRMVZONSA-N 2 2 330.432 3.354 20 0 EGADLP CC(C)Oc1ccc([C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000849077507 1322068868 /nfs/dbraw/zinc/06/88/68/1322068868.db2.gz BOLRNRUBDOMDKE-APWZRJJASA-N 2 2 346.519 3.333 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2)c1 ZINC000850117955 1322194230 /nfs/dbraw/zinc/19/42/30/1322194230.db2.gz CIJOURLKNUOQMN-QZTJIDSGSA-N 2 2 328.481 3.368 20 0 EGADLP c1csc(-c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)c1 ZINC000850117955 1322194233 /nfs/dbraw/zinc/19/42/33/1322194233.db2.gz CIJOURLKNUOQMN-QZTJIDSGSA-N 2 2 328.481 3.368 20 0 EGADLP CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000859530296 1329009600 /nfs/dbraw/zinc/00/96/00/1329009600.db2.gz LHSYVGBHNQHTJR-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000859530296 1329009613 /nfs/dbraw/zinc/00/96/13/1329009613.db2.gz LHSYVGBHNQHTJR-UHFFFAOYSA-N 2 2 344.459 3.219 20 0 EGADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557822 1322267761 /nfs/dbraw/zinc/26/77/61/1322267761.db2.gz YCZFBDFJDJEKKN-QZTJIDSGSA-N 2 2 345.487 3.114 20 0 EGADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000850557822 1322267766 /nfs/dbraw/zinc/26/77/66/1322267766.db2.gz YCZFBDFJDJEKKN-QZTJIDSGSA-N 2 2 345.487 3.114 20 0 EGADLP CCC[N@H+](CC)Cc1ccc(C(=O)OCc2ccc[nH+]c2N)cc1 ZINC000922483138 1322539236 /nfs/dbraw/zinc/53/92/36/1322539236.db2.gz PVSHFCOJQUYAQD-UHFFFAOYSA-N 2 2 327.428 3.253 20 0 EGADLP CCC[N@@H+](CC)Cc1ccc(C(=O)OCc2ccc[nH+]c2N)cc1 ZINC000922483138 1322539239 /nfs/dbraw/zinc/53/92/39/1322539239.db2.gz PVSHFCOJQUYAQD-UHFFFAOYSA-N 2 2 327.428 3.253 20 0 EGADLP O=C(CCCC[NH+]1CCCC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000922662241 1322582885 /nfs/dbraw/zinc/58/28/85/1322582885.db2.gz HQAJBEUESMPSOX-LJQANCHMSA-N 2 2 340.471 3.007 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000924593279 1323067356 /nfs/dbraw/zinc/06/73/56/1323067356.db2.gz XDCJTOMATPEUNX-RBUKOAKNSA-N 2 2 329.488 3.388 20 0 EGADLP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000924593279 1323067364 /nfs/dbraw/zinc/06/73/64/1323067364.db2.gz XDCJTOMATPEUNX-RBUKOAKNSA-N 2 2 329.488 3.388 20 0 EGADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cnnn1-c1ccccc1 ZINC000924728491 1323136180 /nfs/dbraw/zinc/13/61/80/1323136180.db2.gz GNILVMLVPZNHSZ-CRAIPNDOSA-N 2 2 338.459 3.229 20 0 EGADLP O[C@@H](C[NH2+][C@@H](Cc1ccccc1Cl)c1ccoc1)C[NH+]1CCCC1 ZINC000924754833 1323147110 /nfs/dbraw/zinc/14/71/10/1323147110.db2.gz HKRKHYZOPBYGJV-HKUYNNGSSA-N 2 2 348.874 3.263 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1C ZINC000852109104 1323149101 /nfs/dbraw/zinc/14/91/01/1323149101.db2.gz VODDNHKNEXSLRU-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1ccc2c(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1C ZINC000852109104 1323149105 /nfs/dbraw/zinc/14/91/05/1323149105.db2.gz VODDNHKNEXSLRU-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1ccc2c(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1C ZINC000852109104 1323149108 /nfs/dbraw/zinc/14/91/08/1323149108.db2.gz VODDNHKNEXSLRU-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP Cc1ccc2c(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1C ZINC000852109104 1323149109 /nfs/dbraw/zinc/14/91/09/1323149109.db2.gz VODDNHKNEXSLRU-NRFANRHFSA-N 2 2 340.467 3.328 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000924874654 1323196441 /nfs/dbraw/zinc/19/64/41/1323196441.db2.gz SBDYLWLSWBGMQE-HZPDHXFCSA-N 2 2 347.532 3.483 20 0 EGADLP CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1 ZINC000924874654 1323196448 /nfs/dbraw/zinc/19/64/48/1323196448.db2.gz SBDYLWLSWBGMQE-HZPDHXFCSA-N 2 2 347.532 3.483 20 0 EGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c2ncnn21 ZINC000925048307 1323256536 /nfs/dbraw/zinc/25/65/36/1323256536.db2.gz CCKPZAWXSQLTQJ-APWZRJJASA-N 2 2 339.487 3.450 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085170 1323274050 /nfs/dbraw/zinc/27/40/50/1323274050.db2.gz FRCRDRJPURPJLT-BZYYEOTJSA-N 2 2 343.515 3.229 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925085170 1323274061 /nfs/dbraw/zinc/27/40/61/1323274061.db2.gz FRCRDRJPURPJLT-BZYYEOTJSA-N 2 2 343.515 3.229 20 0 EGADLP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)c1c[nH+]c[nH]1 ZINC001025138454 1323916839 /nfs/dbraw/zinc/91/68/39/1323916839.db2.gz OCYYXFHQVHGLEV-INIZCTEOSA-N 2 2 346.519 3.094 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001025459436 1324303049 /nfs/dbraw/zinc/30/30/49/1324303049.db2.gz NFRGQPRAWKVBPU-ZBFHGGJFSA-N 2 2 340.471 3.193 20 0 EGADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001025459436 1324303052 /nfs/dbraw/zinc/30/30/52/1324303052.db2.gz NFRGQPRAWKVBPU-ZBFHGGJFSA-N 2 2 340.471 3.193 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000931726885 1329172787 /nfs/dbraw/zinc/17/27/87/1329172787.db2.gz NHYQFMPOHCFTEI-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000931726885 1329172790 /nfs/dbraw/zinc/17/27/90/1329172790.db2.gz NHYQFMPOHCFTEI-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000931726885 1329172793 /nfs/dbraw/zinc/17/27/93/1329172793.db2.gz NHYQFMPOHCFTEI-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000931726885 1329172795 /nfs/dbraw/zinc/17/27/95/1329172795.db2.gz NHYQFMPOHCFTEI-VQTJNVASSA-N 2 2 337.467 3.329 20 0 EGADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000931727571 1329173009 /nfs/dbraw/zinc/17/30/09/1329173009.db2.gz UHZNMCBUOKQGAE-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000931727571 1329173013 /nfs/dbraw/zinc/17/30/13/1329173013.db2.gz UHZNMCBUOKQGAE-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000931727571 1329173015 /nfs/dbraw/zinc/17/30/15/1329173015.db2.gz UHZNMCBUOKQGAE-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000931727571 1329173017 /nfs/dbraw/zinc/17/30/17/1329173017.db2.gz UHZNMCBUOKQGAE-JKSUJKDBSA-N 2 2 346.862 3.101 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556073 1325207202 /nfs/dbraw/zinc/20/72/02/1325207202.db2.gz JTLXPDMOSMBOPR-HHUCQEJWSA-N 3 2 327.516 3.003 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556073 1325207214 /nfs/dbraw/zinc/20/72/14/1325207214.db2.gz JTLXPDMOSMBOPR-HHUCQEJWSA-N 3 2 327.516 3.003 20 0 EGADLP CC(C)C[C@H](C[NH3+])Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000854138962 1325217179 /nfs/dbraw/zinc/21/71/79/1325217179.db2.gz ANLWWQXWCHDCSF-AWEZNQCLSA-N 2 2 325.416 3.086 20 0 EGADLP Cn1c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)nc2cc(Cl)ccc21 ZINC000925641785 1325243871 /nfs/dbraw/zinc/24/38/71/1325243871.db2.gz BPFZGCZSBFFAAU-HOTGVXAUSA-N 2 2 346.906 3.485 20 0 EGADLP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925790689 1325303261 /nfs/dbraw/zinc/30/32/61/1325303261.db2.gz HTFGXNHCVPHXTL-HNAYVOBHSA-N 2 2 344.499 3.166 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)c[nH+]1 ZINC000963539390 1325304085 /nfs/dbraw/zinc/30/40/85/1325304085.db2.gz RNMAVULYJHXZKV-UHFFFAOYSA-N 2 2 346.519 3.086 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000964278021 1325492608 /nfs/dbraw/zinc/49/26/08/1325492608.db2.gz VSHOWDXBVAPJJP-UHFFFAOYSA-N 2 2 346.519 3.200 20 0 EGADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000926635687 1327646491 /nfs/dbraw/zinc/64/64/91/1327646491.db2.gz QEINGKZZVGDPHZ-SQNIBIBYSA-N 2 2 325.456 3.295 20 0 EGADLP Cc1nc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000926635687 1327646501 /nfs/dbraw/zinc/64/65/01/1327646501.db2.gz QEINGKZZVGDPHZ-SQNIBIBYSA-N 2 2 325.456 3.295 20 0 EGADLP COC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1cccc(OC)c1 ZINC000926693873 1327670927 /nfs/dbraw/zinc/67/09/27/1327670927.db2.gz NZKWIAZSHHWKHG-HXUWFJFHSA-N 2 2 334.504 3.483 20 0 EGADLP CC1(c2ccc(C[NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)OCCO1 ZINC000926780011 1327713152 /nfs/dbraw/zinc/71/31/52/1327713152.db2.gz XVAGNZUHWKPTQS-RTBURBONSA-N 2 2 330.472 3.013 20 0 EGADLP CC1(c2ccc(C[NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)OCCO1 ZINC000926780011 1327713159 /nfs/dbraw/zinc/71/31/59/1327713159.db2.gz XVAGNZUHWKPTQS-RTBURBONSA-N 2 2 330.472 3.013 20 0 EGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927021173 1327824406 /nfs/dbraw/zinc/82/44/06/1327824406.db2.gz WMRANIICUKOOBF-YZGWKJHDSA-N 2 2 343.515 3.373 20 0 EGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927021173 1327824413 /nfs/dbraw/zinc/82/44/13/1327824413.db2.gz WMRANIICUKOOBF-YZGWKJHDSA-N 2 2 343.515 3.373 20 0 EGADLP Clc1ccc(C2CC([NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)C2)cc1 ZINC000927104087 1327864566 /nfs/dbraw/zinc/86/45/66/1327864566.db2.gz CBRHWMLZYLMCHJ-GXOAENINSA-N 2 2 334.891 3.429 20 0 EGADLP Clc1ccc(C2CC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)C2)cc1 ZINC000927104087 1327864569 /nfs/dbraw/zinc/86/45/69/1327864569.db2.gz CBRHWMLZYLMCHJ-GXOAENINSA-N 2 2 334.891 3.429 20 0 EGADLP CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027637362 1328004929 /nfs/dbraw/zinc/00/49/29/1328004929.db2.gz QSMSUXRZMUQNRM-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027637362 1328004935 /nfs/dbraw/zinc/00/49/35/1328004935.db2.gz QSMSUXRZMUQNRM-LJQANCHMSA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027637361 1328005345 /nfs/dbraw/zinc/00/53/45/1328005345.db2.gz QSMSUXRZMUQNRM-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001027637361 1328005355 /nfs/dbraw/zinc/00/53/55/1328005355.db2.gz QSMSUXRZMUQNRM-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP C[N@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649354 1328030690 /nfs/dbraw/zinc/03/06/90/1328030690.db2.gz IWKKZOTTYQFLBK-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649354 1328030697 /nfs/dbraw/zinc/03/06/97/1328030697.db2.gz IWKKZOTTYQFLBK-QGZVFWFLSA-N 2 2 346.519 3.190 20 0 EGADLP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649890 1328030864 /nfs/dbraw/zinc/03/08/64/1328030864.db2.gz VKEMJAFHMVSGCC-MRXNPFEDSA-N 2 2 346.519 3.046 20 0 EGADLP C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649890 1328030870 /nfs/dbraw/zinc/03/08/70/1328030870.db2.gz VKEMJAFHMVSGCC-MRXNPFEDSA-N 2 2 346.519 3.046 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000865414245 1329693738 /nfs/dbraw/zinc/69/37/38/1329693738.db2.gz AKAAEZOQXPRPTH-KRWDZBQOSA-N 2 2 341.503 3.352 20 0 EGADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)nn1 ZINC000865414245 1329693739 /nfs/dbraw/zinc/69/37/39/1329693739.db2.gz AKAAEZOQXPRPTH-KRWDZBQOSA-N 2 2 341.503 3.352 20 0 EGADLP O=C(c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1)N1CCCC1 ZINC000865620282 1329721014 /nfs/dbraw/zinc/72/10/14/1329721014.db2.gz SVADRUMNPXLSNN-UXHICEINSA-N 2 2 341.499 3.029 20 0 EGADLP O=C(c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)N1CCCC1 ZINC000865620282 1329721016 /nfs/dbraw/zinc/72/10/16/1329721016.db2.gz SVADRUMNPXLSNN-UXHICEINSA-N 2 2 341.499 3.029 20 0 EGADLP c1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)nc1 ZINC000932383469 1329810869 /nfs/dbraw/zinc/81/08/69/1329810869.db2.gz DTMREJLAJWMUBT-OAQYLSRUSA-N 2 2 337.467 3.155 20 0 EGADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000934021231 1329941006 /nfs/dbraw/zinc/94/10/06/1329941006.db2.gz LQSQOFMGRTUEIN-UHFFFAOYSA-N 2 2 326.444 3.090 20 0 EGADLP CCC[N@H+](C[C@H]1CCC(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186554 1329953535 /nfs/dbraw/zinc/95/35/35/1329953535.db2.gz UIHVTABXYVQUGN-LJQANCHMSA-N 2 2 330.472 3.069 20 0 EGADLP CCC[N@@H+](C[C@H]1CCC(=O)O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934186554 1329953536 /nfs/dbraw/zinc/95/35/36/1329953536.db2.gz UIHVTABXYVQUGN-LJQANCHMSA-N 2 2 330.472 3.069 20 0 EGADLP CC(C)CC[NH+]1CCC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000934300643 1329964038 /nfs/dbraw/zinc/96/40/38/1329964038.db2.gz PPGIVTBUEDJRPE-UHFFFAOYSA-N 2 2 328.460 3.051 20 0 EGADLP c1cc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc(C[NH+]2CCOCC2)c1 ZINC000934702903 1330001104 /nfs/dbraw/zinc/00/11/04/1330001104.db2.gz YVOLJBPBOYMLEL-OAQYLSRUSA-N 2 2 337.467 3.155 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000935388520 1330049416 /nfs/dbraw/zinc/04/94/16/1330049416.db2.gz TZGFULMRXCNHBF-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000935388520 1330049418 /nfs/dbraw/zinc/04/94/18/1330049418.db2.gz TZGFULMRXCNHBF-GOSISDBHSA-N 2 2 348.450 3.300 20 0 EGADLP CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000935698503 1330072914 /nfs/dbraw/zinc/07/29/14/1330072914.db2.gz NUSKSDHOOUKHCQ-HNNXBMFYSA-N 2 2 346.519 3.209 20 0 EGADLP CC(C)(C)[NH2+]CCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000935698503 1330072917 /nfs/dbraw/zinc/07/29/17/1330072917.db2.gz NUSKSDHOOUKHCQ-HNNXBMFYSA-N 2 2 346.519 3.209 20 0 EGADLP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537442 1331962779 /nfs/dbraw/zinc/96/27/79/1331962779.db2.gz BBIDGHYALBOLTQ-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537442 1331962784 /nfs/dbraw/zinc/96/27/84/1331962784.db2.gz BBIDGHYALBOLTQ-APWZRJJASA-N 2 2 340.471 3.113 20 0 EGADLP C[C@H]1C[N@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766415 1332259077 /nfs/dbraw/zinc/25/90/77/1332259077.db2.gz IHMKBHADBIIISH-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]1C[N@@H+](CCC2CCCCCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766415 1332259079 /nfs/dbraw/zinc/25/90/79/1332259079.db2.gz IHMKBHADBIIISH-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CC4CCC4)[C@H](C)C3)ccn12 ZINC000947315662 1333086182 /nfs/dbraw/zinc/08/61/82/1333086182.db2.gz XHGGCQXMVOHULH-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CC4CCC4)[C@H](C)C3)ccn12 ZINC000947315662 1333086183 /nfs/dbraw/zinc/08/61/83/1333086183.db2.gz XHGGCQXMVOHULH-RDTXWAMCSA-N 2 2 340.471 3.026 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000948554643 1333573004 /nfs/dbraw/zinc/57/30/04/1333573004.db2.gz YGRBRUMOJBRYBU-FTWHOSCRSA-N 2 2 346.862 3.242 20 0 EGADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948554643 1333573005 /nfs/dbraw/zinc/57/30/05/1333573005.db2.gz YGRBRUMOJBRYBU-FTWHOSCRSA-N 2 2 346.862 3.242 20 0 EGADLP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949111323 1333779638 /nfs/dbraw/zinc/77/96/38/1333779638.db2.gz OLTUXRFHUNGWLS-HXUWFJFHSA-N 2 2 348.450 3.243 20 0 EGADLP Cc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1 ZINC000950961716 1334161161 /nfs/dbraw/zinc/16/11/61/1334161161.db2.gz GITSBSZTQSWPAT-QZTJIDSGSA-N 2 2 340.471 3.048 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001006338302 1336491342 /nfs/dbraw/zinc/49/13/42/1336491342.db2.gz DQZCRINYSUHFGE-UHFFFAOYSA-N 2 2 344.503 3.074 20 0 EGADLP O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642850 1336682490 /nfs/dbraw/zinc/68/24/90/1336682490.db2.gz XYHUFXIFPWPWLB-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007642850 1336682493 /nfs/dbraw/zinc/68/24/93/1336682493.db2.gz XYHUFXIFPWPWLB-KRWDZBQOSA-N 2 2 340.471 3.337 20 0 EGADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916915 1370910135 /nfs/dbraw/zinc/91/01/35/1370910135.db2.gz WIUZGWVATWYCBZ-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1Br ZINC001205916915 1370910138 /nfs/dbraw/zinc/91/01/38/1370910138.db2.gz WIUZGWVATWYCBZ-OCCSQVGLSA-N 2 2 341.293 3.407 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001009344221 1337009239 /nfs/dbraw/zinc/00/92/39/1337009239.db2.gz BXBSRGAWFQSEPH-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001009344221 1337009241 /nfs/dbraw/zinc/00/92/41/1337009241.db2.gz BXBSRGAWFQSEPH-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP CCc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939305 1337960322 /nfs/dbraw/zinc/96/03/22/1337960322.db2.gz CMBKDQAZPLNYOQ-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001014939305 1337960324 /nfs/dbraw/zinc/96/03/24/1337960324.db2.gz CMBKDQAZPLNYOQ-SFHVURJKSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001014941193 1337960902 /nfs/dbraw/zinc/96/09/02/1337960902.db2.gz NKKUVSKEIIFJMO-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c(C)c1 ZINC001014941193 1337960905 /nfs/dbraw/zinc/96/09/05/1337960905.db2.gz NKKUVSKEIIFJMO-SFHVURJKSA-N 2 2 348.450 3.184 20 0 EGADLP C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017120833 1338879319 /nfs/dbraw/zinc/87/93/19/1338879319.db2.gz PBSFMEZVEZMWHL-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001017120833 1338879320 /nfs/dbraw/zinc/87/93/20/1338879320.db2.gz PBSFMEZVEZMWHL-SFHVURJKSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001028632514 1340734515 /nfs/dbraw/zinc/73/45/15/1340734515.db2.gz LOTHMWHPKHKMBH-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC001028632514 1340734520 /nfs/dbraw/zinc/73/45/20/1340734520.db2.gz LOTHMWHPKHKMBH-QGZVFWFLSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632735 1340735635 /nfs/dbraw/zinc/73/56/35/1340735635.db2.gz QWOCYEIHWCIGHH-INIZCTEOSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001028632735 1340735639 /nfs/dbraw/zinc/73/56/39/1340735639.db2.gz QWOCYEIHWCIGHH-INIZCTEOSA-N 2 2 348.450 3.123 20 0 EGADLP Cc1ccc(C)c([C@H](C)[NH+]2CC(NC(=O)c3ccc4c[nH+]cn4c3)C2)c1 ZINC001030684004 1341208625 /nfs/dbraw/zinc/20/86/25/1341208625.db2.gz IJTRLYGLWRCHSP-INIZCTEOSA-N 2 2 348.450 3.126 20 0 EGADLP CC(C)c1ccc([C@H](C)[NH+]2CC(NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001030891745 1341244550 /nfs/dbraw/zinc/24/45/50/1341244550.db2.gz MQJNNXNAAVYNOM-INIZCTEOSA-N 2 2 343.515 3.013 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001030959165 1341256405 /nfs/dbraw/zinc/25/64/05/1341256405.db2.gz DSEONFIITVCJQD-IAGOWNOFSA-N 2 2 343.515 3.013 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH+]2CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1 ZINC001030959165 1341256407 /nfs/dbraw/zinc/25/64/07/1341256407.db2.gz DSEONFIITVCJQD-IAGOWNOFSA-N 2 2 343.515 3.013 20 0 EGADLP Cc1cccc(C)c1C[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031769036 1341399434 /nfs/dbraw/zinc/39/94/34/1341399434.db2.gz UMQMPDVTJFFPFA-UHFFFAOYSA-N 2 2 348.450 3.042 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032633466 1341565785 /nfs/dbraw/zinc/56/57/85/1341565785.db2.gz OGTPCLBGTFBYHC-QCSYZSNVSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001032633466 1341565787 /nfs/dbraw/zinc/56/57/87/1341565787.db2.gz OGTPCLBGTFBYHC-QCSYZSNVSA-N 2 2 349.906 3.026 20 0 EGADLP CC[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271476 1342362360 /nfs/dbraw/zinc/36/23/60/1342362360.db2.gz NIBSONNJNZVQGM-HOCLYGCPSA-N 2 2 328.460 3.193 20 0 EGADLP CC[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271476 1342362364 /nfs/dbraw/zinc/36/23/64/1342362364.db2.gz NIBSONNJNZVQGM-HOCLYGCPSA-N 2 2 328.460 3.193 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391458 1342460108 /nfs/dbraw/zinc/46/01/08/1342460108.db2.gz MTEMGQNLXRAEBE-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP CC(C)(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034391458 1342460110 /nfs/dbraw/zinc/46/01/10/1342460110.db2.gz MTEMGQNLXRAEBE-HOTGVXAUSA-N 2 2 346.519 3.237 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CC2CCCCCC2)C1 ZINC001034503754 1342562016 /nfs/dbraw/zinc/56/20/16/1342562016.db2.gz REBIJTQTMBCBRD-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCCCCC2)C1 ZINC001034503754 1342562019 /nfs/dbraw/zinc/56/20/19/1342562019.db2.gz REBIJTQTMBCBRD-SFHVURJKSA-N 2 2 346.519 3.202 20 0 EGADLP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001034801309 1342766712 /nfs/dbraw/zinc/76/67/12/1342766712.db2.gz JSSNUEGYTFUJEX-VJANTYMQSA-N 2 2 346.519 3.117 20 0 EGADLP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189979 1343004197 /nfs/dbraw/zinc/00/41/97/1343004197.db2.gz FYTLNOQNMDRPSN-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001035189979 1343004198 /nfs/dbraw/zinc/00/41/98/1343004198.db2.gz FYTLNOQNMDRPSN-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189979 1343004201 /nfs/dbraw/zinc/00/42/01/1343004201.db2.gz FYTLNOQNMDRPSN-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001035189979 1343004204 /nfs/dbraw/zinc/00/42/04/1343004204.db2.gz FYTLNOQNMDRPSN-UHFFFAOYSA-N 2 2 346.519 3.093 20 0 EGADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC001036206216 1343362828 /nfs/dbraw/zinc/36/28/28/1343362828.db2.gz PRKBLWWSZOCDQO-LPHOPBHVSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001036393521 1343462140 /nfs/dbraw/zinc/46/21/40/1343462140.db2.gz IBJHLHGLEAANTK-WMZOPIPTSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001036410802 1343470812 /nfs/dbraw/zinc/47/08/12/1343470812.db2.gz IELLKUCJPBRRMD-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001036410802 1343470814 /nfs/dbraw/zinc/47/08/14/1343470814.db2.gz IELLKUCJPBRRMD-WMZOPIPTSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036555206 1343551879 /nfs/dbraw/zinc/55/18/79/1343551879.db2.gz RNGDQDCSOLONNC-VQIMIIECSA-N 2 2 344.503 3.059 20 0 EGADLP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036555206 1343551882 /nfs/dbraw/zinc/55/18/82/1343551882.db2.gz RNGDQDCSOLONNC-VQIMIIECSA-N 2 2 344.503 3.059 20 0 EGADLP O=C(N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)c1cccc2[nH+]ccn21 ZINC001037212379 1344045790 /nfs/dbraw/zinc/04/57/90/1344045790.db2.gz GGGKBZFRMGRIHL-IAGOWNOFSA-N 2 2 340.471 3.013 20 0 EGADLP CC(C)[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001037244904 1344065002 /nfs/dbraw/zinc/06/50/02/1344065002.db2.gz ARIYFAVYPUFXHB-MJGOQNOKSA-N 2 2 340.471 3.159 20 0 EGADLP CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1[NH2+]CC(C)C ZINC001037858855 1344144404 /nfs/dbraw/zinc/14/44/04/1344144404.db2.gz YYJGTCATLGFUQA-SJLPKXTDSA-N 2 2 342.487 3.129 20 0 EGADLP CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1[NH2+]C(C)C ZINC001037970645 1344210768 /nfs/dbraw/zinc/21/07/68/1344210768.db2.gz NKEMVXBQPCOIQB-VQIMIIECSA-N 2 2 340.471 3.111 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@H+]3[C@@H](C)c3ccccc3)ccn12 ZINC001038255984 1344346827 /nfs/dbraw/zinc/34/68/27/1344346827.db2.gz WTZGXSFFTUTWTC-LPHOPBHVSA-N 2 2 348.450 3.208 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[N@@H+]3[C@@H](C)c3ccccc3)ccn12 ZINC001038255984 1344346833 /nfs/dbraw/zinc/34/68/33/1344346833.db2.gz WTZGXSFFTUTWTC-LPHOPBHVSA-N 2 2 348.450 3.208 20 0 EGADLP CCc1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415688 1344419687 /nfs/dbraw/zinc/41/96/87/1344419687.db2.gz INYVUXBBAUGMNJ-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP CCc1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038415688 1344419689 /nfs/dbraw/zinc/41/96/89/1344419689.db2.gz INYVUXBBAUGMNJ-GOSISDBHSA-N 2 2 348.450 3.130 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001039249464 1344979552 /nfs/dbraw/zinc/97/95/52/1344979552.db2.gz IWOMLKMEPLBHKV-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001039249464 1344979557 /nfs/dbraw/zinc/97/95/57/1344979557.db2.gz IWOMLKMEPLBHKV-MJGOQNOKSA-N 2 2 346.519 3.010 20 0 EGADLP CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319887 1345430368 /nfs/dbraw/zinc/43/03/68/1345430368.db2.gz LVVNWBCHKRXHSJ-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001040319887 1345430372 /nfs/dbraw/zinc/43/03/72/1345430372.db2.gz LVVNWBCHKRXHSJ-HXUWFJFHSA-N 2 2 346.519 3.024 20 0 EGADLP CC(C)c1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCC2CCCCC2)C1 ZINC001043987695 1346229974 /nfs/dbraw/zinc/22/99/74/1346229974.db2.gz GOPADRANOXDUCC-UHFFFAOYSA-N 2 2 346.519 3.120 20 0 EGADLP CC1(NC(=O)c2cccc3[nH+]ccn32)CC[NH+](Cc2ccccc2)CC1 ZINC001045501148 1346611029 /nfs/dbraw/zinc/61/10/29/1346611029.db2.gz QWGKYCGYRDBTDH-UHFFFAOYSA-N 2 2 348.450 3.119 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943044 1346778624 /nfs/dbraw/zinc/77/86/24/1346778624.db2.gz AFZSATAIPNDPDW-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001045943044 1346778627 /nfs/dbraw/zinc/77/86/27/1346778627.db2.gz AFZSATAIPNDPDW-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943044 1346778628 /nfs/dbraw/zinc/77/86/28/1346778628.db2.gz AFZSATAIPNDPDW-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001045943044 1346778636 /nfs/dbraw/zinc/77/86/36/1346778636.db2.gz AFZSATAIPNDPDW-PXNSSMCTSA-N 2 2 346.519 3.093 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C)CC[N@H+](CCC(C)(C)C)C3)ccn12 ZINC001046314094 1346931607 /nfs/dbraw/zinc/93/16/07/1346931607.db2.gz BOCLHPCVGGMBHU-FQEVSTJZSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@@]3(C)CC[N@@H+](CCC(C)(C)C)C3)ccn12 ZINC001046314094 1346931609 /nfs/dbraw/zinc/93/16/09/1346931609.db2.gz BOCLHPCVGGMBHU-FQEVSTJZSA-N 2 2 342.487 3.273 20 0 EGADLP CC1(C)CC(C[N@@H+]2CC[C@@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001046416209 1346968331 /nfs/dbraw/zinc/96/83/31/1346968331.db2.gz WLCGBSCJNQVHOA-HXUWFJFHSA-N 2 2 340.471 3.193 20 0 EGADLP CC1(C)CC(C[N@H+]2CC[C@@](C)(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001046416209 1346968332 /nfs/dbraw/zinc/96/83/32/1346968332.db2.gz WLCGBSCJNQVHOA-HXUWFJFHSA-N 2 2 340.471 3.193 20 0 EGADLP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538326 1347583421 /nfs/dbraw/zinc/58/34/21/1347583421.db2.gz QXFYNKALWCOASY-ACHSLPGTSA-N 2 2 340.471 3.336 20 0 EGADLP CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001048538326 1347583423 /nfs/dbraw/zinc/58/34/23/1347583423.db2.gz QXFYNKALWCOASY-ACHSLPGTSA-N 2 2 340.471 3.336 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527451 1347892776 /nfs/dbraw/zinc/89/27/76/1347892776.db2.gz QIAVWEKVBPVAPL-FPAYPSAMSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001049527451 1347892778 /nfs/dbraw/zinc/89/27/78/1347892778.db2.gz QIAVWEKVBPVAPL-FPAYPSAMSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527451 1347892779 /nfs/dbraw/zinc/89/27/79/1347892779.db2.gz QIAVWEKVBPVAPL-FPAYPSAMSA-N 2 2 344.503 3.015 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001049527451 1347892781 /nfs/dbraw/zinc/89/27/81/1347892781.db2.gz QIAVWEKVBPVAPL-FPAYPSAMSA-N 2 2 344.503 3.015 20 0 EGADLP CC1CCC(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC001050372608 1348241950 /nfs/dbraw/zinc/24/19/50/1348241950.db2.gz VNICQXHEKDDLPY-VNGAXPGBSA-N 2 2 346.519 3.043 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1 ZINC001050383488 1348245628 /nfs/dbraw/zinc/24/56/28/1348245628.db2.gz RPLPORLWPQUXON-IYARVYRRSA-N 2 2 346.519 3.187 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052487869 1348554636 /nfs/dbraw/zinc/55/46/36/1348554636.db2.gz DTFVILSCWKCOAW-SFHVURJKSA-N 2 2 348.535 3.334 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001052487869 1348554638 /nfs/dbraw/zinc/55/46/38/1348554638.db2.gz DTFVILSCWKCOAW-SFHVURJKSA-N 2 2 348.535 3.334 20 0 EGADLP CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700463 1348640388 /nfs/dbraw/zinc/64/03/88/1348640388.db2.gz MMXFPGYCBFPKER-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001052700463 1348640392 /nfs/dbraw/zinc/64/03/92/1348640392.db2.gz MMXFPGYCBFPKER-SJORKVTESA-N 2 2 346.519 3.237 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001052823253 1348690703 /nfs/dbraw/zinc/69/07/03/1348690703.db2.gz DOABPPXOKPKBFK-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@@H+](CCC2CCCCCC2)CC1 ZINC001052823253 1348690704 /nfs/dbraw/zinc/69/07/04/1348690704.db2.gz DOABPPXOKPKBFK-GOSISDBHSA-N 2 2 346.519 3.283 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001053105620 1348943422 /nfs/dbraw/zinc/94/34/22/1348943422.db2.gz QAIHMWFFLRRXFW-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001053105620 1348943424 /nfs/dbraw/zinc/94/34/24/1348943424.db2.gz QAIHMWFFLRRXFW-IEBWSBKVSA-N 2 2 346.519 3.010 20 0 EGADLP CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962488 1357440158 /nfs/dbraw/zinc/44/01/58/1357440158.db2.gz MNMYWEPRAJYGOQ-FZKQIMNGSA-N 2 2 328.460 3.049 20 0 EGADLP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001079962488 1357440166 /nfs/dbraw/zinc/44/01/66/1357440166.db2.gz MNMYWEPRAJYGOQ-FZKQIMNGSA-N 2 2 328.460 3.049 20 0 EGADLP CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071953619 1355038808 /nfs/dbraw/zinc/03/88/08/1355038808.db2.gz BZASAECKRHKOHV-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC[C@H]1C ZINC001071953619 1355038810 /nfs/dbraw/zinc/03/88/10/1355038810.db2.gz BZASAECKRHKOHV-AEFFLSMTSA-N 2 2 340.471 3.255 20 0 EGADLP CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460668 1356394192 /nfs/dbraw/zinc/39/41/92/1356394192.db2.gz ZROJSFUHTSOUJV-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001075460668 1356394195 /nfs/dbraw/zinc/39/41/95/1356394195.db2.gz ZROJSFUHTSOUJV-QGZVFWFLSA-N 2 2 346.519 3.093 20 0 EGADLP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001075460539 1356394619 /nfs/dbraw/zinc/39/46/19/1356394619.db2.gz VUEMPKPUTRILOX-MSOLQXFVSA-N 2 2 346.519 3.195 20 0 EGADLP CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC001075460539 1356394624 /nfs/dbraw/zinc/39/46/24/1356394624.db2.gz VUEMPKPUTRILOX-MSOLQXFVSA-N 2 2 346.519 3.195 20 0 EGADLP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CC ZINC001323171047 1387306306 /nfs/dbraw/zinc/30/63/06/1387306306.db2.gz SKKRIRNXGKNABU-IEBWSBKVSA-N 2 2 348.535 3.006 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnc2ccsc2c1 ZINC001323170991 1387306318 /nfs/dbraw/zinc/30/63/18/1387306318.db2.gz ZIMGQKLRTBHTDB-UHFFFAOYSA-N 2 2 335.392 3.438 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045792 1358376555 /nfs/dbraw/zinc/37/65/55/1358376555.db2.gz LECATKQLEXINGD-UHOSZYNNSA-N 2 2 346.519 3.193 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]21 ZINC001085045792 1358376559 /nfs/dbraw/zinc/37/65/59/1358376559.db2.gz LECATKQLEXINGD-UHOSZYNNSA-N 2 2 346.519 3.193 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746946 1358728396 /nfs/dbraw/zinc/72/83/96/1358728396.db2.gz UOUUVHRTZINNFE-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001085746946 1358728399 /nfs/dbraw/zinc/72/83/99/1358728399.db2.gz UOUUVHRTZINNFE-IBGZPJMESA-N 2 2 340.471 3.065 20 0 EGADLP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1)c1ccccc1 ZINC001086401537 1359087850 /nfs/dbraw/zinc/08/78/50/1359087850.db2.gz HNXDEGWHSMNUAO-MPGHIAIKSA-N 2 2 348.450 3.422 20 0 EGADLP O=C(NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1)c1cccc2[nH+]ccn21 ZINC001086427255 1359094351 /nfs/dbraw/zinc/09/43/51/1359094351.db2.gz IEUQUTWGYRNQJT-QAQDUYKDSA-N 2 2 340.471 3.013 20 0 EGADLP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001086946128 1359267516 /nfs/dbraw/zinc/26/75/16/1359267516.db2.gz QQGJPNKITWYGMH-ZWKOTPCHSA-N 2 2 346.519 3.337 20 0 EGADLP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571607 1359537621 /nfs/dbraw/zinc/53/76/21/1359537621.db2.gz BXLWTEDTYXEDJX-JCGIZDLHSA-N 2 2 342.487 3.272 20 0 EGADLP CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1CC ZINC001087571607 1359537625 /nfs/dbraw/zinc/53/76/25/1359537625.db2.gz BXLWTEDTYXEDJX-JCGIZDLHSA-N 2 2 342.487 3.272 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001184211759 1387415904 /nfs/dbraw/zinc/41/59/04/1387415904.db2.gz VUXKFQBJYBSPFP-QGZVFWFLSA-N 2 2 340.471 3.109 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001088405131 1359877971 /nfs/dbraw/zinc/87/79/71/1359877971.db2.gz PBSQCEPLJVPINT-GOSISDBHSA-N 2 2 344.503 3.204 20 0 EGADLP CC(C)(C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001088414155 1359884957 /nfs/dbraw/zinc/88/49/57/1359884957.db2.gz YLAXNWLMOBXMSM-KRWDZBQOSA-N 2 2 346.519 3.238 20 0 EGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702940 1387423912 /nfs/dbraw/zinc/42/39/12/1387423912.db2.gz KNGNORIOLNRUEW-QZTJIDSGSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccnc2N(C)C)C1 ZINC001323702940 1387423914 /nfs/dbraw/zinc/42/39/14/1387423914.db2.gz KNGNORIOLNRUEW-QZTJIDSGSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccnc2N(C)C)C1 ZINC001323702940 1387423915 /nfs/dbraw/zinc/42/39/15/1387423915.db2.gz KNGNORIOLNRUEW-QZTJIDSGSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC001323702940 1387423917 /nfs/dbraw/zinc/42/39/17/1387423917.db2.gz KNGNORIOLNRUEW-QZTJIDSGSA-N 2 2 330.520 3.234 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cccnc1N(C)C)[N@H+](C)Cc1ccccc1 ZINC001323711343 1387427287 /nfs/dbraw/zinc/42/72/87/1387427287.db2.gz GVFBDUAMRBIRQA-KRWDZBQOSA-N 2 2 326.488 3.148 20 0 EGADLP C[C@@H](CC[NH2+]Cc1cccnc1N(C)C)[N@@H+](C)Cc1ccccc1 ZINC001323711343 1387427288 /nfs/dbraw/zinc/42/72/88/1387427288.db2.gz GVFBDUAMRBIRQA-KRWDZBQOSA-N 2 2 326.488 3.148 20 0 EGADLP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567435 1359977002 /nfs/dbraw/zinc/97/70/02/1359977002.db2.gz OAJPOFHRPHJCBO-QAPCUYQASA-N 2 2 342.487 3.272 20 0 EGADLP CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001088567435 1359977007 /nfs/dbraw/zinc/97/70/07/1359977007.db2.gz OAJPOFHRPHJCBO-QAPCUYQASA-N 2 2 342.487 3.272 20 0 EGADLP CCC[N@H+](CC1CC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001323733390 1387434722 /nfs/dbraw/zinc/43/47/22/1387434722.db2.gz HTTAKKRFLRWUJO-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP CCC[N@@H+](CC1CC1)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001323733390 1387434724 /nfs/dbraw/zinc/43/47/24/1387434724.db2.gz HTTAKKRFLRWUJO-UHFFFAOYSA-N 2 2 340.471 3.290 20 0 EGADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419721 1360413971 /nfs/dbraw/zinc/41/39/71/1360413971.db2.gz HFSCBUMBCBYZQA-OAHLLOKOSA-N 2 2 328.460 3.192 20 0 EGADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC(C)(C)C1 ZINC001089419721 1360413975 /nfs/dbraw/zinc/41/39/75/1360413975.db2.gz HFSCBUMBCBYZQA-OAHLLOKOSA-N 2 2 328.460 3.192 20 0 EGADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC001089450587 1360438381 /nfs/dbraw/zinc/43/83/81/1360438381.db2.gz RCGDVPRWLYYFQY-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC(C)(C)C1 ZINC001089450587 1360438383 /nfs/dbraw/zinc/43/83/83/1360438383.db2.gz RCGDVPRWLYYFQY-QGZVFWFLSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001089719913 1360622853 /nfs/dbraw/zinc/62/28/53/1360622853.db2.gz MPVDMJSONOVUQG-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001089719913 1360622857 /nfs/dbraw/zinc/62/28/57/1360622857.db2.gz MPVDMJSONOVUQG-GOSISDBHSA-N 2 2 340.471 3.113 20 0 EGADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C[NH2+]C/C=C\Cl ZINC001184652999 1387503497 /nfs/dbraw/zinc/50/34/97/1387503497.db2.gz QGNFCYDQGAPLCK-UQYDRJLZSA-N 2 2 346.862 3.003 20 0 EGADLP CCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001184653959 1387504222 /nfs/dbraw/zinc/50/42/22/1387504222.db2.gz USSXMWOBRHBWQW-GJZGRUSLSA-N 2 2 328.460 3.051 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cncc(C(F)(F)F)c1 ZINC001324086977 1387536007 /nfs/dbraw/zinc/53/60/07/1387536007.db2.gz FOFWNUFYHOQEJD-UHFFFAOYSA-N 2 2 347.300 3.242 20 0 EGADLP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001095607144 1362184476 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/nfs/dbraw/zinc/20/36/01/1369203601.db2.gz VHCMLJCPEPDMLB-HDAAZOAOSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC001199296546 1369203604 /nfs/dbraw/zinc/20/36/04/1369203604.db2.gz VHCMLJCPEPDMLB-HDAAZOAOSA-N 2 2 329.532 3.359 20 0 EGADLP C[C@H](CN[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC001199296546 1369203607 /nfs/dbraw/zinc/20/36/07/1369203607.db2.gz VHCMLJCPEPDMLB-HDAAZOAOSA-N 2 2 329.532 3.359 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc4ncccc4c3)[nH+]c2)C1 ZINC001201536886 1369567459 /nfs/dbraw/zinc/56/74/59/1369567459.db2.gz ZAQLZWPNSVCEGR-LJQANCHMSA-N 2 2 347.466 3.382 20 0 EGADLP CCCC[C@@H](CC)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201566709 1369578190 /nfs/dbraw/zinc/57/81/90/1369578190.db2.gz UPUDZEOGIJOGDK-GOSISDBHSA-N 2 2 347.551 3.339 20 0 EGADLP CCCC[C@@H](CC)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001201566709 1369578200 /nfs/dbraw/zinc/57/82/00/1369578200.db2.gz UPUDZEOGIJOGDK-GOSISDBHSA-N 2 2 347.551 3.339 20 0 EGADLP C[C@H]([NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1)[C@H]1CCOC1 ZINC001202176825 1369708575 /nfs/dbraw/zinc/70/85/75/1369708575.db2.gz ZHEHHRXAUOLSGO-HOCLYGCPSA-N 2 2 349.862 3.130 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203011844 1369953521 /nfs/dbraw/zinc/95/35/21/1369953521.db2.gz BVMNEUCAOSEBLM-SJORKVTESA-N 2 2 346.519 3.186 20 0 EGADLP CC(C)(C)CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203011844 1369953524 /nfs/dbraw/zinc/95/35/24/1369953524.db2.gz BVMNEUCAOSEBLM-SJORKVTESA-N 2 2 346.519 3.186 20 0 EGADLP CCc1[nH]c(C[NH+]2CCC3(CC2)OCCc2ccccc23)c(C)[nH+]1 ZINC001203247183 1370039615 /nfs/dbraw/zinc/03/96/15/1370039615.db2.gz UPWYAFLZNOBIKQ-UHFFFAOYSA-N 2 2 325.456 3.345 20 0 EGADLP COc1ccc(OC)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203534778 1370159440 /nfs/dbraw/zinc/15/94/40/1370159440.db2.gz XZJXAHZFGKVVFB-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP COc1ccc(OC)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001203534778 1370159442 /nfs/dbraw/zinc/15/94/42/1370159442.db2.gz XZJXAHZFGKVVFB-QGZVFWFLSA-N 2 2 328.412 3.061 20 0 EGADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1 ZINC001203807877 1370273568 /nfs/dbraw/zinc/27/35/68/1370273568.db2.gz DEYGTAVERIFECH-UHFFFAOYSA-N 2 2 347.286 3.310 20 0 EGADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1 ZINC001203807877 1370273569 /nfs/dbraw/zinc/27/35/69/1370273569.db2.gz DEYGTAVERIFECH-UHFFFAOYSA-N 2 2 347.286 3.310 20 0 EGADLP CC(=O)Oc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001203954218 1370328298 /nfs/dbraw/zinc/32/82/98/1370328298.db2.gz IOTOWOFXATURCY-UHFFFAOYSA-N 2 2 335.407 3.430 20 0 EGADLP CC(=O)Oc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001203954218 1370328311 /nfs/dbraw/zinc/32/83/11/1370328311.db2.gz IOTOWOFXATURCY-UHFFFAOYSA-N 2 2 335.407 3.430 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204043033 1370357532 /nfs/dbraw/zinc/35/75/32/1370357532.db2.gz KFFZTDBCGBXLNV-SFHVURJKSA-N 2 2 327.472 3.243 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC001204043033 1370357535 /nfs/dbraw/zinc/35/75/35/1370357535.db2.gz KFFZTDBCGBXLNV-SFHVURJKSA-N 2 2 327.472 3.243 20 0 EGADLP CC(C)(C)CCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204068511 1370367046 /nfs/dbraw/zinc/36/70/46/1370367046.db2.gz GYPMWQNZYZTJEM-UHFFFAOYSA-N 2 2 334.508 3.070 20 0 EGADLP COCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204161999 1370394845 /nfs/dbraw/zinc/39/48/45/1370394845.db2.gz ITOWEPNTMWLLKN-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP COCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC001204161999 1370394847 /nfs/dbraw/zinc/39/48/47/1370394847.db2.gz ITOWEPNTMWLLKN-UHFFFAOYSA-N 2 2 330.394 3.248 20 0 EGADLP Cc1[nH]c2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204287882 1370432372 /nfs/dbraw/zinc/43/23/72/1370432372.db2.gz ADYRCHXVRQSXMP-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH]c2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001204287882 1370432375 /nfs/dbraw/zinc/43/23/75/1370432375.db2.gz ADYRCHXVRQSXMP-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001204287882 1370432379 /nfs/dbraw/zinc/43/23/79/1370432379.db2.gz ADYRCHXVRQSXMP-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH]c2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001204287882 1370432381 /nfs/dbraw/zinc/43/23/81/1370432381.db2.gz ADYRCHXVRQSXMP-KDURUIRLSA-N 2 2 346.478 3.435 20 0 EGADLP Cc1[nH+]c[nH]c1CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001204592157 1370525079 /nfs/dbraw/zinc/52/50/79/1370525079.db2.gz KVLKKADFWZWZBI-ONCXSQPRSA-N 2 2 326.488 3.113 20 0 EGADLP Cc1[nH+]c[nH]c1CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001204592157 1370525080 /nfs/dbraw/zinc/52/50/80/1370525080.db2.gz KVLKKADFWZWZBI-ONCXSQPRSA-N 2 2 326.488 3.113 20 0 EGADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CCC3CC3)CCCCC2)c[nH+]1 ZINC001115591840 1370593004 /nfs/dbraw/zinc/59/30/04/1370593004.db2.gz HQQJRIJXWWNDNU-UHFFFAOYSA-N 2 2 346.519 3.135 20 0 EGADLP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCCC1 ZINC001115595121 1370596800 /nfs/dbraw/zinc/59/68/00/1370596800.db2.gz ONZLEHDPZNQUEY-OAHLLOKOSA-N 2 2 346.450 3.333 20 0 EGADLP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627837 1370621243 /nfs/dbraw/zinc/62/12/43/1370621243.db2.gz UKAUNXKQZVHTNL-MRXNPFEDSA-N 2 2 342.487 3.403 20 0 EGADLP CC(C)CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001115627820 1370621332 /nfs/dbraw/zinc/62/13/32/1370621332.db2.gz SZTPDPIGVWHKSG-UHFFFAOYSA-N 2 2 342.487 3.403 20 0 EGADLP [NH3+][C@H]1CCC[N@H+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001205123912 1370656963 /nfs/dbraw/zinc/65/69/63/1370656963.db2.gz GZLWEGDLTAFOHM-NSHDSACASA-N 2 2 349.219 3.364 20 0 EGADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001205123912 1370656969 /nfs/dbraw/zinc/65/69/69/1370656969.db2.gz GZLWEGDLTAFOHM-NSHDSACASA-N 2 2 349.219 3.364 20 0 EGADLP CCOc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124318 1370658008 /nfs/dbraw/zinc/65/80/08/1370658008.db2.gz OBSDLMVEKXESLI-AWEZNQCLSA-N 2 2 341.293 3.469 20 0 EGADLP CCOc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205124318 1370658015 /nfs/dbraw/zinc/65/80/15/1370658015.db2.gz OBSDLMVEKXESLI-AWEZNQCLSA-N 2 2 341.293 3.469 20 0 EGADLP COc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205266999 1370700600 /nfs/dbraw/zinc/70/06/00/1370700600.db2.gz ZPYDMCXOQVVNEP-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1Br ZINC001205266999 1370700606 /nfs/dbraw/zinc/70/06/06/1370700606.db2.gz ZPYDMCXOQVVNEP-HNNXBMFYSA-N 2 2 327.266 3.161 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205314770 1370719272 /nfs/dbraw/zinc/71/92/72/1370719272.db2.gz CHEGBURTPGAEIC-BXUZGUMPSA-N 2 2 341.293 3.183 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205314770 1370719282 /nfs/dbraw/zinc/71/92/82/1370719282.db2.gz CHEGBURTPGAEIC-BXUZGUMPSA-N 2 2 341.293 3.183 20 0 EGADLP CC1CCC(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCCC2)CC1 ZINC001115748640 1370729454 /nfs/dbraw/zinc/72/94/54/1370729454.db2.gz AAJDNIOBRSHTHP-UHFFFAOYSA-N 2 2 346.519 3.187 20 0 EGADLP COc1cc(OC)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205856720 1370893824 /nfs/dbraw/zinc/89/38/24/1370893824.db2.gz YCLFIHVAHZAELG-GJZGRUSLSA-N 2 2 328.456 3.416 20 0 EGADLP COc1cc(OC)c(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c2ccccc12 ZINC001205856720 1370893830 /nfs/dbraw/zinc/89/38/30/1370893830.db2.gz YCLFIHVAHZAELG-GJZGRUSLSA-N 2 2 328.456 3.416 20 0 EGADLP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Br)cc1F ZINC001205912716 1370908529 /nfs/dbraw/zinc/90/85/29/1370908529.db2.gz BTTNTLJDRVVWFW-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP Cc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(Br)cc1F ZINC001205912716 1370908534 /nfs/dbraw/zinc/90/85/34/1370908534.db2.gz BTTNTLJDRVVWFW-NWDGAFQWSA-N 2 2 329.257 3.456 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205925902 1370913975 /nfs/dbraw/zinc/91/39/75/1370913975.db2.gz ZYKCWTSTUJYFAU-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205925902 1370913979 /nfs/dbraw/zinc/91/39/79/1370913979.db2.gz ZYKCWTSTUJYFAU-STQMWFEESA-N 2 2 341.293 3.325 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2Oc2ccc(Cl)cc2)C[C@H]1O ZINC001205952858 1370921747 /nfs/dbraw/zinc/92/17/47/1370921747.db2.gz CIOPKPVOPBMKDS-IAGOWNOFSA-N 2 2 332.831 3.026 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2Oc2ccc(Cl)cc2)C[C@H]1O ZINC001205952858 1370921752 /nfs/dbraw/zinc/92/17/52/1370921752.db2.gz CIOPKPVOPBMKDS-IAGOWNOFSA-N 2 2 332.831 3.026 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001116526243 1370929668 /nfs/dbraw/zinc/92/96/68/1370929668.db2.gz VHKXKUSYLHVIIG-YJBOKZPZSA-N 2 2 342.443 3.356 20 0 EGADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206174096 1370980001 /nfs/dbraw/zinc/98/00/01/1370980001.db2.gz LXTQWVJQRDEDCE-VXGBXAGGSA-N 2 2 340.748 3.500 20 0 EGADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)CC[C@H]1F ZINC001206174096 1370980003 /nfs/dbraw/zinc/98/00/03/1370980003.db2.gz LXTQWVJQRDEDCE-VXGBXAGGSA-N 2 2 340.748 3.500 20 0 EGADLP Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1Br ZINC001206649538 1371119260 /nfs/dbraw/zinc/11/92/60/1371119260.db2.gz VPTZHNJCODMLBO-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(F)c1Br ZINC001206649538 1371119263 /nfs/dbraw/zinc/11/92/63/1371119263.db2.gz VPTZHNJCODMLBO-LBPRGKRZSA-N 2 2 329.257 3.457 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632810 1371114501 /nfs/dbraw/zinc/11/45/01/1371114501.db2.gz OKVGSVLJTNFKPV-NSHDSACASA-N 2 2 334.357 3.414 20 0 EGADLP COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206632810 1371114505 /nfs/dbraw/zinc/11/45/05/1371114505.db2.gz OKVGSVLJTNFKPV-NSHDSACASA-N 2 2 334.357 3.414 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001206638946 1371115237 /nfs/dbraw/zinc/11/52/37/1371115237.db2.gz AAIOKGBRAFMCSY-GFCCVEGCSA-N 2 2 336.277 3.491 20 0 EGADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc3c(cccc3Br)[nH]2)C1 ZINC001206638946 1371115240 /nfs/dbraw/zinc/11/52/40/1371115240.db2.gz AAIOKGBRAFMCSY-GFCCVEGCSA-N 2 2 336.277 3.491 20 0 EGADLP Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1C[NH+]1CCOCC1 ZINC001206737582 1371149756 /nfs/dbraw/zinc/14/97/56/1371149756.db2.gz QOQBGJXMFDOQRH-UHFFFAOYSA-N 2 2 326.444 3.032 20 0 EGADLP CCCC[NH2+]CC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001206762953 1371156860 /nfs/dbraw/zinc/15/68/60/1371156860.db2.gz ZXPBZSAXXAQGQB-UHFFFAOYSA-N 2 2 340.471 3.114 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768806 1371158489 /nfs/dbraw/zinc/15/84/89/1371158489.db2.gz LXQFZMADCMVHJE-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768803 1371158468 /nfs/dbraw/zinc/15/84/68/1371158468.db2.gz LXQFZMADCMVHJE-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768803 1371158471 /nfs/dbraw/zinc/15/84/71/1371158471.db2.gz LXQFZMADCMVHJE-NEPJUHHUSA-N 2 2 327.266 3.017 20 0 EGADLP COc1c(Br)cccc1C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768806 1371158487 /nfs/dbraw/zinc/15/84/87/1371158487.db2.gz LXQFZMADCMVHJE-NWDGAFQWSA-N 2 2 327.266 3.017 20 0 EGADLP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1OC ZINC001206810150 1371177138 /nfs/dbraw/zinc/17/71/38/1371177138.db2.gz NFNBCMMCWJGZIP-NWDGAFQWSA-N 2 2 346.393 3.282 20 0 EGADLP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(C(F)(F)F)c1OC ZINC001206810150 1371177141 /nfs/dbraw/zinc/17/71/41/1371177141.db2.gz NFNBCMMCWJGZIP-NWDGAFQWSA-N 2 2 346.393 3.282 20 0 EGADLP Cc1ncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062538 1371283448 /nfs/dbraw/zinc/28/34/48/1371283448.db2.gz HFPGVLAJWFXBPN-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062538 1371283450 /nfs/dbraw/zinc/28/34/50/1371283450.db2.gz HFPGVLAJWFXBPN-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062538 1371283452 /nfs/dbraw/zinc/28/34/52/1371283452.db2.gz HFPGVLAJWFXBPN-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP Cc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001207062538 1371283457 /nfs/dbraw/zinc/28/34/57/1371283457.db2.gz HFPGVLAJWFXBPN-MSOLQXFVSA-N 2 2 327.497 3.405 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001207287810 1371351730 /nfs/dbraw/zinc/35/17/30/1371351730.db2.gz GDEYSLPRKDKOQL-DOIPELPJSA-N 3 2 345.575 3.469 20 0 EGADLP C[NH+](C)CC(C)(C)C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001207287810 1371351732 /nfs/dbraw/zinc/35/17/32/1371351732.db2.gz GDEYSLPRKDKOQL-DOIPELPJSA-N 3 2 345.575 3.469 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001207287810 1371351733 /nfs/dbraw/zinc/35/17/33/1371351733.db2.gz GDEYSLPRKDKOQL-DOIPELPJSA-N 3 2 345.575 3.469 20 0 EGADLP C[NH+](C)CC(C)(C)C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001207287810 1371351737 /nfs/dbraw/zinc/35/17/37/1371351737.db2.gz GDEYSLPRKDKOQL-DOIPELPJSA-N 3 2 345.575 3.469 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC(C)(C)C[NH+](C)C ZINC001207288430 1371351995 /nfs/dbraw/zinc/35/19/95/1371351995.db2.gz NXHFTJXPEGGXBT-MRXNPFEDSA-N 2 2 341.540 3.296 20 0 EGADLP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC(C)(C)C[NH+](C)C ZINC001207288430 1371352000 /nfs/dbraw/zinc/35/20/00/1371352000.db2.gz NXHFTJXPEGGXBT-MRXNPFEDSA-N 2 2 341.540 3.296 20 0 EGADLP CC[NH+](CC)C1CC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001207374799 1371378553 /nfs/dbraw/zinc/37/85/53/1371378553.db2.gz QVOLBEXLFPNPHB-QGZVFWFLSA-N 2 2 339.524 3.192 20 0 EGADLP Fc1ccccc1CCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001207491502 1371412736 /nfs/dbraw/zinc/41/27/36/1371412736.db2.gz ODOOSINHJJZUCT-WOJBJXKFSA-N 2 2 339.458 3.217 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001207660027 1371467010 /nfs/dbraw/zinc/46/70/10/1371467010.db2.gz XSKJOTINUIIFDS-KURKYZTESA-N 2 2 348.535 3.343 20 0 EGADLP CC(C)C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)n1cc[nH+]c1 ZINC001207660027 1371467011 /nfs/dbraw/zinc/46/70/11/1371467011.db2.gz XSKJOTINUIIFDS-KURKYZTESA-N 2 2 348.535 3.343 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC001207681520 1371473140 /nfs/dbraw/zinc/47/31/40/1371473140.db2.gz VNPAYYQBHDIVCU-NVXWUHKLSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@H]2C)c[nH+]1 ZINC001207681520 1371473144 /nfs/dbraw/zinc/47/31/44/1371473144.db2.gz VNPAYYQBHDIVCU-NVXWUHKLSA-N 2 2 348.535 3.189 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC001207730220 1371487629 /nfs/dbraw/zinc/48/76/29/1371487629.db2.gz UWMJUSZSXDBBQK-HOCLYGCPSA-N 2 2 337.895 3.439 20 0 EGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC001207730220 1371487632 /nfs/dbraw/zinc/48/76/32/1371487632.db2.gz UWMJUSZSXDBBQK-HOCLYGCPSA-N 2 2 337.895 3.439 20 0 EGADLP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001208050561 1371581052 /nfs/dbraw/zinc/58/10/52/1371581052.db2.gz ZVQIREAUFGOHQM-XDXAGZTOSA-N 2 2 340.471 3.193 20 0 EGADLP CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461194 1371584625 /nfs/dbraw/zinc/58/46/25/1371584625.db2.gz RWFSEZRKZSYUFX-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001120461194 1371584628 /nfs/dbraw/zinc/58/46/28/1371584628.db2.gz RWFSEZRKZSYUFX-MOPGFXCFSA-N 2 2 346.519 3.166 20 0 EGADLP c1cc(N2CC[NH+](CCCC3CCCC3)CC2)nc(N2CCCC2)[nH+]1 ZINC001208094023 1371594948 /nfs/dbraw/zinc/59/49/48/1371594948.db2.gz GLATVXYUMNYTRG-UHFFFAOYSA-N 2 2 343.519 3.169 20 0 EGADLP CC(C)[N@@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218440 1371657973 /nfs/dbraw/zinc/65/79/73/1371657973.db2.gz ZQUQOAQELXUKDM-INIZCTEOSA-N 2 2 332.488 3.399 20 0 EGADLP CC(C)[N@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC001208218440 1371657986 /nfs/dbraw/zinc/65/79/86/1371657986.db2.gz ZQUQOAQELXUKDM-INIZCTEOSA-N 2 2 332.488 3.399 20 0 EGADLP Cc1cc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606452 1371838713 /nfs/dbraw/zinc/83/87/13/1371838713.db2.gz GFZAXSIKBOLXDW-GOSISDBHSA-N 3 2 338.499 3.007 20 0 EGADLP Cc1cc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC001208606452 1371838716 /nfs/dbraw/zinc/83/87/16/1371838716.db2.gz GFZAXSIKBOLXDW-GOSISDBHSA-N 3 2 338.499 3.007 20 0 EGADLP Cc1cc(C)c(C(=O)N2CCC[C@@H]([NH2+]CCCCCF)C2)c(C)[nH+]1 ZINC001208648460 1371851971 /nfs/dbraw/zinc/85/19/71/1371851971.db2.gz JAZJEAVDJKKRNH-QGZVFWFLSA-N 2 2 335.467 3.341 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208995137 1371969393 /nfs/dbraw/zinc/96/93/93/1371969393.db2.gz HGXIQIZRKQQGQR-ZHALLVOQSA-N 2 2 344.503 3.161 20 0 EGADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)n1cc[nH+]c1 ZINC001208995137 1371969399 /nfs/dbraw/zinc/96/93/99/1371969399.db2.gz HGXIQIZRKQQGQR-ZHALLVOQSA-N 2 2 344.503 3.161 20 0 EGADLP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121895573 1372116586 /nfs/dbraw/zinc/11/65/86/1372116586.db2.gz FZNNECHRGSHWJE-YUCHZMFVSA-N 2 2 346.519 3.042 20 0 EGADLP CC(C)CCC[NH2+]C1CC2(CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001121895573 1372116591 /nfs/dbraw/zinc/11/65/91/1372116591.db2.gz FZNNECHRGSHWJE-YUCHZMFVSA-N 2 2 346.519 3.042 20 0 EGADLP COc1cc[nH+]c(N2CC[NH+](Cc3c[nH]c4cc(F)ccc34)CC2)c1 ZINC001209695009 1372172913 /nfs/dbraw/zinc/17/29/13/1372172913.db2.gz CVYUQLPNFWCFCI-UHFFFAOYSA-N 2 2 340.402 3.033 20 0 EGADLP Cc1cccn2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)nc12 ZINC001209740754 1372181018 /nfs/dbraw/zinc/18/10/18/1372181018.db2.gz AAEZPYJPEOPLRA-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2cc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)nc12 ZINC001209740754 1372181020 /nfs/dbraw/zinc/18/10/20/1372181020.db2.gz AAEZPYJPEOPLRA-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2cc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)nc12 ZINC001209740754 1372181024 /nfs/dbraw/zinc/18/10/24/1372181024.db2.gz AAEZPYJPEOPLRA-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP Cc1cccn2cc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)nc12 ZINC001209740754 1372181028 /nfs/dbraw/zinc/18/10/28/1372181028.db2.gz AAEZPYJPEOPLRA-OALUTQOASA-N 2 2 326.488 3.482 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001209865772 1372217217 /nfs/dbraw/zinc/21/72/17/1372217217.db2.gz JPWGFOUNBPLBGR-PJHKVULZSA-N 2 2 332.492 3.161 20 0 EGADLP C[NH2+]CC1C[NH+](Cc2ccc(N(C)c3ccccc3OC)cc2)C1 ZINC001210560848 1372378839 /nfs/dbraw/zinc/37/88/39/1372378839.db2.gz AJXPIHRAKYQNIB-UHFFFAOYSA-N 2 2 325.456 3.114 20 0 EGADLP C[NH+]1CCN(c2cccc(Nc3ccccc3-n3cc[nH+]c3)c2)CC1 ZINC001212713783 1372759816 /nfs/dbraw/zinc/75/98/16/1372759816.db2.gz JJTYBJRAXJIFJZ-UHFFFAOYSA-N 2 2 333.439 3.368 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C3)ccn12 ZINC001214632236 1373092498 /nfs/dbraw/zinc/09/24/98/1373092498.db2.gz HDNPWHNBNBWFOH-CRAIPNDOSA-N 2 2 342.487 3.129 20 0 EGADLP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001214917322 1373141436 /nfs/dbraw/zinc/14/14/36/1373141436.db2.gz VRFAKTFSZRGZDS-QRVBRYPASA-N 2 2 348.535 3.487 20 0 EGADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001214964546 1373149630 /nfs/dbraw/zinc/14/96/30/1373149630.db2.gz FFYRYBFAWZCLSY-SPYBWZPUSA-N 2 2 342.487 3.295 20 0 EGADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1)n1cc[nH+]c1 ZINC001215704865 1373233837 /nfs/dbraw/zinc/23/38/37/1373233837.db2.gz AUXNZGQHULJNNL-IXDOHACOSA-N 2 2 334.508 3.097 20 0 EGADLP Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)c(N(C)C)[nH+]1 ZINC001216090521 1373260848 /nfs/dbraw/zinc/26/08/48/1373260848.db2.gz RVLKMFGFXUYELS-YOEHRIQHSA-N 2 2 347.507 3.040 20 0 EGADLP CC(C)C[C@H](C(=O)NCC[NH2+]CC1CCCCCC1)n1cc[nH+]c1 ZINC001130001623 1373444666 /nfs/dbraw/zinc/44/46/66/1373444666.db2.gz VCBDPCJAEPZPMQ-GOSISDBHSA-N 2 2 334.508 3.147 20 0 EGADLP CC[C@H]([NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC001130006608 1373445383 /nfs/dbraw/zinc/44/53/83/1373445383.db2.gz MQVBQYOSEGIGRA-RBUKOAKNSA-N 2 2 342.487 3.327 20 0 EGADLP Cn1c[nH+]cc1C[C@H]([NH3+])c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217694029 1373490080 /nfs/dbraw/zinc/49/00/80/1373490080.db2.gz SUTFWHBFCNBMBA-SFHVURJKSA-N 2 2 345.406 3.380 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410818 1373609348 /nfs/dbraw/zinc/60/93/48/1373609348.db2.gz OLACAZPOCMXGBD-GOSISDBHSA-N 2 2 344.842 3.135 20 0 EGADLP [NH3+]CC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC001218410818 1373609350 /nfs/dbraw/zinc/60/93/50/1373609350.db2.gz OLACAZPOCMXGBD-GOSISDBHSA-N 2 2 344.842 3.135 20 0 EGADLP [NH3+][C@H](CC(=O)Nc1ccn2cc[nH+]c2c1)Cc1ccc2ccccc2c1 ZINC001218788348 1373654634 /nfs/dbraw/zinc/65/46/34/1373654634.db2.gz TVLYXVNEFFEHNU-SFHVURJKSA-N 2 2 344.418 3.386 20 0 EGADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC001219003227 1373677570 /nfs/dbraw/zinc/67/75/70/1373677570.db2.gz AGNVCMSJEPHSRL-SFHVURJKSA-N 2 2 331.419 3.149 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCc2ccccc2C)c(C)[nH+]1 ZINC001131562796 1373721515 /nfs/dbraw/zinc/72/15/15/1373721515.db2.gz KNCYRAVBHGCSJJ-UHFFFAOYSA-N 2 2 339.483 3.267 20 0 EGADLP Cc1cc(C)c(C(=O)NCC[NH2+][C@@H](C)c2ccccc2C)c(C)[nH+]1 ZINC001131560432 1373721625 /nfs/dbraw/zinc/72/16/25/1373721625.db2.gz MWEAEKMEPGUXQT-INIZCTEOSA-N 2 2 325.456 3.396 20 0 EGADLP CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634962 1373784807 /nfs/dbraw/zinc/78/48/07/1373784807.db2.gz RLJRJYJIDRDBPZ-GUDVDZBRSA-N 2 2 346.519 3.049 20 0 EGADLP CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001221634962 1373784810 /nfs/dbraw/zinc/78/48/10/1373784810.db2.gz RLJRJYJIDRDBPZ-GUDVDZBRSA-N 2 2 346.519 3.049 20 0 EGADLP CC(C)(C)CCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091926 1373816528 /nfs/dbraw/zinc/81/65/28/1373816528.db2.gz DSKJSFGFPJZJSL-KRWDZBQOSA-N 2 2 334.508 3.070 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CC1CCCCCC1 ZINC001132024431 1375104856 /nfs/dbraw/zinc/10/48/56/1375104856.db2.gz FSZCNLXJRTUYPK-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CC1CCCCCC1 ZINC001132024431 1375104857 /nfs/dbraw/zinc/10/48/57/1375104857.db2.gz FSZCNLXJRTUYPK-SJLPKXTDSA-N 2 2 346.519 3.282 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090334 1375139615 /nfs/dbraw/zinc/13/96/15/1375139615.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCC(C)(C)C ZINC001132090334 1375139619 /nfs/dbraw/zinc/13/96/19/1375139619.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCC(C)(C)C ZINC001132090334 1375139620 /nfs/dbraw/zinc/13/96/20/1375139620.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 2 334.508 3.138 20 0 EGADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCC(C)(C)C ZINC001132090334 1375139624 /nfs/dbraw/zinc/13/96/24/1375139624.db2.gz GNCVXDJGRAOBCF-NVXWUHKLSA-N 2 2 334.508 3.138 20 0 EGADLP Cc1cc[nH+]c(C)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001227263732 1375413511 /nfs/dbraw/zinc/41/35/11/1375413511.db2.gz HPTJFVLTNOMOSB-LJQANCHMSA-N 2 2 326.440 3.368 20 0 EGADLP Cc1cc[nH+]c(C)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001227263732 1375413514 /nfs/dbraw/zinc/41/35/14/1375413514.db2.gz HPTJFVLTNOMOSB-LJQANCHMSA-N 2 2 326.440 3.368 20 0 EGADLP CC(C)CCC[NH+]1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001227922894 1375491422 /nfs/dbraw/zinc/49/14/22/1375491422.db2.gz IBBQEWGEAKMQQR-IBGZPJMESA-N 2 2 348.535 3.487 20 0 EGADLP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1C ZINC001132824036 1375584510 /nfs/dbraw/zinc/58/45/10/1375584510.db2.gz PPYNCRWCFBZHDP-YJBOKZPZSA-N 2 2 342.487 3.131 20 0 EGADLP CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1C ZINC001132921547 1375645665 /nfs/dbraw/zinc/64/56/65/1375645665.db2.gz ZUKBDNYQEQFPCA-GDBMZVCRSA-N 2 2 328.460 3.051 20 0 EGADLP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133240840 1375861639 /nfs/dbraw/zinc/86/16/39/1375861639.db2.gz AXCKBIPHPZUIMB-DLBZAZTESA-N 2 2 348.535 3.342 20 0 EGADLP CCC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933308 1375921130 /nfs/dbraw/zinc/92/11/30/1375921130.db2.gz KMBSZNUPJXZNFM-SDKBWNRFSA-N 2 2 332.492 3.024 20 0 EGADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](CCC2CCCCC2)CC1 ZINC001230431455 1376029402 /nfs/dbraw/zinc/02/94/02/1376029402.db2.gz FKEVYJMWJCSEBV-UHFFFAOYSA-N 2 2 346.519 3.214 20 0 EGADLP CC(C)CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610942 1376100932 /nfs/dbraw/zinc/10/09/32/1376100932.db2.gz KNDQYZVJOTZIRS-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CC(C)CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001230610942 1376100935 /nfs/dbraw/zinc/10/09/35/1376100935.db2.gz KNDQYZVJOTZIRS-GOSISDBHSA-N 2 2 346.519 3.091 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1OC ZINC001231516138 1376253339 /nfs/dbraw/zinc/25/33/39/1376253339.db2.gz GCSWGBAGDPALJC-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)cc1OC ZINC001231516138 1376253351 /nfs/dbraw/zinc/25/33/51/1376253351.db2.gz GCSWGBAGDPALJC-UHFFFAOYSA-N 2 2 338.249 3.176 20 0 EGADLP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cnc1F ZINC001231926820 1376352734 /nfs/dbraw/zinc/35/27/34/1376352734.db2.gz FTJQIFGUMBRZNB-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cnc1F ZINC001231926820 1376352743 /nfs/dbraw/zinc/35/27/43/1376352743.db2.gz FTJQIFGUMBRZNB-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnc1F ZINC001231926820 1376352754 /nfs/dbraw/zinc/35/27/54/1376352754.db2.gz FTJQIFGUMBRZNB-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC001231926820 1376352764 /nfs/dbraw/zinc/35/27/64/1376352764.db2.gz FTJQIFGUMBRZNB-SFHVURJKSA-N 2 2 327.447 3.483 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012812 1376381465 /nfs/dbraw/zinc/38/14/65/1376381465.db2.gz SRIPJUYKOJYFMQ-IAGOWNOFSA-N 2 2 342.443 3.147 20 0 EGADLP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001232012812 1376381472 /nfs/dbraw/zinc/38/14/72/1376381472.db2.gz SRIPJUYKOJYFMQ-IAGOWNOFSA-N 2 2 342.443 3.147 20 0 EGADLP CC[C@H]1C[N@H+](Cc2cc3c[nH+]ccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC001232013975 1376382715 /nfs/dbraw/zinc/38/27/15/1376382715.db2.gz IUVWUPHPVYRJGX-INIZCTEOSA-N 2 2 344.459 3.394 20 0 EGADLP CC[C@H]1C[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CCN1C(=O)OC(C)(C)C ZINC001232013975 1376382718 /nfs/dbraw/zinc/38/27/18/1376382718.db2.gz IUVWUPHPVYRJGX-INIZCTEOSA-N 2 2 344.459 3.394 20 0 EGADLP CC[N@H+](Cc1cnn(C)c1-c1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001232113878 1376400483 /nfs/dbraw/zinc/40/04/83/1376400483.db2.gz ODYXTSKCMFTZLR-UHFFFAOYSA-N 2 2 342.487 3.012 20 0 EGADLP CC[N@@H+](Cc1cnn(C)c1-c1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC001232113878 1376400485 /nfs/dbraw/zinc/40/04/85/1376400485.db2.gz ODYXTSKCMFTZLR-UHFFFAOYSA-N 2 2 342.487 3.012 20 0 EGADLP COC1CC[NH+](C2CC[NH+](Cc3nccc4ccccc43)CC2)CC1 ZINC001232250477 1376424389 /nfs/dbraw/zinc/42/43/89/1376424389.db2.gz ZVLUKGKXBMZGOQ-UHFFFAOYSA-N 2 2 339.483 3.310 20 0 EGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595285 1376486465 /nfs/dbraw/zinc/48/64/65/1376486465.db2.gz DGXZZCWGFTUTNE-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595285 1376486468 /nfs/dbraw/zinc/48/64/68/1376486468.db2.gz DGXZZCWGFTUTNE-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595285 1376486473 /nfs/dbraw/zinc/48/64/73/1376486473.db2.gz DGXZZCWGFTUTNE-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3Cl)C2)C1 ZINC001232595285 1376486479 /nfs/dbraw/zinc/48/64/79/1376486479.db2.gz DGXZZCWGFTUTNE-SFHVURJKSA-N 2 2 330.863 3.053 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC2CCCCC2)c[nH+]1 ZINC001134728820 1376681123 /nfs/dbraw/zinc/68/11/23/1376681123.db2.gz BWCXRWCXZVRPNP-HZPDHXFCSA-N 2 2 348.535 3.380 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739562 1376689006 /nfs/dbraw/zinc/68/90/06/1376689006.db2.gz GSGHPDSABJOUQX-ZIAGYGMSSA-N 2 2 328.460 3.240 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC(F)(F)F ZINC001134739380 1376689190 /nfs/dbraw/zinc/68/91/90/1376689190.db2.gz DDMXAIJEHCYOBR-MNOVXSKESA-N 2 2 342.365 3.002 20 0 EGADLP Fc1ccc(-c2ccc(C[N@@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235114026 1376846092 /nfs/dbraw/zinc/84/60/92/1376846092.db2.gz IRJUYLDJLANWKD-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP Fc1ccc(-c2ccc(C[N@H+]3CCC[C@]4(C[NH2+]CCO4)C3)cc2)cc1 ZINC001235114026 1376846099 /nfs/dbraw/zinc/84/60/99/1376846099.db2.gz IRJUYLDJLANWKD-NRFANRHFSA-N 2 2 340.442 3.447 20 0 EGADLP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115906 1376847761 /nfs/dbraw/zinc/84/77/61/1376847761.db2.gz SMUCETIELBCXJV-GHTZIAJQSA-N 2 2 330.516 3.443 20 0 EGADLP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235115906 1376847771 /nfs/dbraw/zinc/84/77/71/1376847771.db2.gz SMUCETIELBCXJV-GHTZIAJQSA-N 2 2 330.516 3.443 20 0 EGADLP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631959 1376879105 /nfs/dbraw/zinc/87/91/05/1376879105.db2.gz CPBIUSAKDLSQSQ-LXORQPIJSA-N 2 2 346.519 3.359 20 0 EGADLP CC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631959 1376879109 /nfs/dbraw/zinc/87/91/09/1376879109.db2.gz CPBIUSAKDLSQSQ-LXORQPIJSA-N 2 2 346.519 3.359 20 0 EGADLP C[C@H](C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]C/C=C/Cl ZINC001135096883 1376894665 /nfs/dbraw/zinc/89/46/65/1376894665.db2.gz CKZCUAAJDQKJPK-CXAXABNOSA-N 2 2 346.862 3.111 20 0 EGADLP COc1ccc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)cc1C(C)C ZINC001235815219 1376897762 /nfs/dbraw/zinc/89/77/62/1376897762.db2.gz KAISOUPXUJFEQX-UHFFFAOYSA-N 2 2 345.531 3.078 20 0 EGADLP Clc1ccc([C@H]2C[NH2+]CCN2Cc2cccn3cc[nH+]c23)cc1 ZINC001235817088 1376898272 /nfs/dbraw/zinc/89/82/72/1376898272.db2.gz WFIBUMFQFDYSOH-QGZVFWFLSA-N 2 2 326.831 3.134 20 0 EGADLP COC(=O)[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001236230227 1376942952 /nfs/dbraw/zinc/94/29/52/1376942952.db2.gz KDMYPXOGXNAAPN-LJQANCHMSA-N 2 2 330.472 3.071 20 0 EGADLP COC(=O)[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)Cc2ccccc21 ZINC001236230227 1376942966 /nfs/dbraw/zinc/94/29/66/1376942966.db2.gz KDMYPXOGXNAAPN-LJQANCHMSA-N 2 2 330.472 3.071 20 0 EGADLP COc1cc(C[NH+]2CCC[NH2+]CCC2)ccc1OCc1ccccc1 ZINC001236240075 1376944752 /nfs/dbraw/zinc/94/47/52/1376944752.db2.gz LEYMTIVZUDVEAG-UHFFFAOYSA-N 2 2 340.467 3.460 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CCO4)ccc21 ZINC001237140901 1376976562 /nfs/dbraw/zinc/97/65/62/1376976562.db2.gz BWQMDSZJZTUFHM-JOCHJYFZSA-N 2 2 349.478 3.379 20 0 EGADLP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCO4)ccc21 ZINC001237140901 1376976571 /nfs/dbraw/zinc/97/65/71/1376976571.db2.gz BWQMDSZJZTUFHM-JOCHJYFZSA-N 2 2 349.478 3.379 20 0 EGADLP CCCNc1cc(C)[nH+]c(-c2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001245337532 1377045955 /nfs/dbraw/zinc/04/59/55/1377045955.db2.gz LRMPESBKGGQAJZ-UHFFFAOYSA-N 2 2 328.460 3.026 20 0 EGADLP c1ccc(C[C@@H](C[NH+]2CCCC2)[NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246297485 1377051100 /nfs/dbraw/zinc/05/11/00/1377051100.db2.gz GMXUJFJSGVACAT-FSSWDIPSSA-N 3 2 341.543 3.205 20 0 EGADLP Clc1ccccc1CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246380951 1377051654 /nfs/dbraw/zinc/05/16/54/1377051654.db2.gz KYVSCVPVQBHFPY-PIIMJCKOSA-N 3 2 347.934 3.267 20 0 EGADLP CC1(C)C[C@H]([NH2+]C2(Cc3ccccc3Cl)CC[NH2+]CC2)CC[NH2+]1 ZINC001246381952 1377051670 /nfs/dbraw/zinc/05/16/70/1377051670.db2.gz VJGXDBRIGBKQMH-MRXNPFEDSA-N 3 2 335.923 3.125 20 0 EGADLP Clc1ccccc1CC1([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CC[NH2+]CC1 ZINC001246381586 1377051702 /nfs/dbraw/zinc/05/17/02/1377051702.db2.gz QMXSRBUKNSFMHV-QGZVFWFLSA-N 3 2 347.934 3.269 20 0 EGADLP C[C@H](C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001135944316 1377272427 /nfs/dbraw/zinc/27/24/27/1377272427.db2.gz IINDUHSRSRCDBC-HZPDHXFCSA-N 2 2 348.535 3.052 20 0 EGADLP Cc1ccc2c(C[NH+]3CCN(c4cc(C)[nH+]c(C)n4)CC3)c[nH]c2c1 ZINC001136973063 1377447842 /nfs/dbraw/zinc/44/78/42/1377447842.db2.gz KSNFQFOBLBSYPR-UHFFFAOYSA-N 2 2 335.455 3.205 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5cccnc54)C[C@H]3C2)c1 ZINC001137173408 1377490690 /nfs/dbraw/zinc/49/06/90/1377490690.db2.gz UUGSXHZUODRGKW-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCCn2cc[nH+]c2)c1 ZINC001271227528 1377624269 /nfs/dbraw/zinc/62/42/69/1377624269.db2.gz OHTYADPPTFLFFC-QZTJIDSGSA-N 2 2 342.487 3.169 20 0 EGADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001271459501 1377632720 /nfs/dbraw/zinc/63/27/20/1377632720.db2.gz UJWMHNDSDZCNCJ-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138719725 1377772751 /nfs/dbraw/zinc/77/27/51/1377772751.db2.gz ZUGOMMITGMPUDC-UHFFFAOYSA-N 2 2 344.499 3.087 20 0 EGADLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138719725 1377772752 /nfs/dbraw/zinc/77/27/52/1377772752.db2.gz ZUGOMMITGMPUDC-UHFFFAOYSA-N 2 2 344.499 3.087 20 0 EGADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)cc1OC ZINC001138851391 1377794994 /nfs/dbraw/zinc/79/49/94/1377794994.db2.gz XCYLLJJUNXHOBA-UHFFFAOYSA-N 2 2 343.349 3.312 20 0 EGADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC(F)(F)F)cc1OC ZINC001138851391 1377794996 /nfs/dbraw/zinc/79/49/96/1377794996.db2.gz XCYLLJJUNXHOBA-UHFFFAOYSA-N 2 2 343.349 3.312 20 0 EGADLP COc1cc(O)ccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001139137473 1377836568 /nfs/dbraw/zinc/83/65/68/1377836568.db2.gz ATWFSHZFAGIZTO-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP COc1cc(O)ccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001139137473 1377836573 /nfs/dbraw/zinc/83/65/73/1377836573.db2.gz ATWFSHZFAGIZTO-UHFFFAOYSA-N 2 2 340.467 3.497 20 0 EGADLP Cn1ccc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc21 ZINC001139187599 1377846413 /nfs/dbraw/zinc/84/64/13/1377846413.db2.gz MHEDLTADXICJCR-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)ccc21 ZINC001139187599 1377846415 /nfs/dbraw/zinc/84/64/15/1377846415.db2.gz MHEDLTADXICJCR-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)ccc21 ZINC001139187599 1377846419 /nfs/dbraw/zinc/84/64/19/1377846419.db2.gz MHEDLTADXICJCR-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)ccc21 ZINC001139187599 1377846422 /nfs/dbraw/zinc/84/64/22/1377846422.db2.gz MHEDLTADXICJCR-OYRHEFFESA-N 2 2 346.478 3.137 20 0 EGADLP Cn1ccc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)ccc21 ZINC001139189220 1377847097 /nfs/dbraw/zinc/84/70/97/1377847097.db2.gz BLMFIXXAYGELNY-WOJBJXKFSA-N 2 2 346.478 3.137 20 0 EGADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](Oc4ccncc4)C3)cc2)c[nH+]1 ZINC001139363282 1377874572 /nfs/dbraw/zinc/87/45/72/1377874572.db2.gz AFLICVGMRUXECE-FQEVSTJZSA-N 2 2 334.423 3.311 20 0 EGADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](Oc4ccncc4)C3)cc2)c[nH+]1 ZINC001139363282 1377874573 /nfs/dbraw/zinc/87/45/73/1377874573.db2.gz AFLICVGMRUXECE-FQEVSTJZSA-N 2 2 334.423 3.311 20 0 EGADLP CCC[N@@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC(C)C ZINC001139765542 1377948183 /nfs/dbraw/zinc/94/81/83/1377948183.db2.gz AJTDGIVZISKQNJ-UHFFFAOYSA-N 2 2 334.504 3.266 20 0 EGADLP CCC[N@H+](Cc1cccc(OCC[NH+]2CCOCC2)c1)CC(C)C ZINC001139765542 1377948184 /nfs/dbraw/zinc/94/81/84/1377948184.db2.gz AJTDGIVZISKQNJ-UHFFFAOYSA-N 2 2 334.504 3.266 20 0 EGADLP Cn1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc2ccccc21 ZINC001139870989 1377967964 /nfs/dbraw/zinc/96/79/64/1377967964.db2.gz PBRWFGAWFQRVRM-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cc2ccccc21 ZINC001139870989 1377967965 /nfs/dbraw/zinc/96/79/65/1377967965.db2.gz PBRWFGAWFQRVRM-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)cc2ccccc21 ZINC001139870989 1377967966 /nfs/dbraw/zinc/96/79/66/1377967966.db2.gz PBRWFGAWFQRVRM-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cn1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)cc2ccccc21 ZINC001139870989 1377967967 /nfs/dbraw/zinc/96/79/67/1377967967.db2.gz PBRWFGAWFQRVRM-KDURUIRLSA-N 2 2 346.478 3.137 20 0 EGADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001140026608 1377992005 /nfs/dbraw/zinc/99/20/05/1377992005.db2.gz NTXREOQLGQGJAP-QGZVFWFLSA-N 2 2 329.419 3.274 20 0 EGADLP CCOC(=O)C1(C)CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140028349 1377993098 /nfs/dbraw/zinc/99/30/98/1377993098.db2.gz RYBGTMZWEKUYIN-UHFFFAOYSA-N 2 2 341.455 3.346 20 0 EGADLP Cc1nnc([C@@H]2CCC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)o1 ZINC001140027566 1377993161 /nfs/dbraw/zinc/99/31/61/1377993161.db2.gz QIHKDSKMUZOOGC-QGZVFWFLSA-N 2 2 337.427 3.252 20 0 EGADLP Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)o1 ZINC001140027566 1377993165 /nfs/dbraw/zinc/99/31/65/1377993165.db2.gz QIHKDSKMUZOOGC-QGZVFWFLSA-N 2 2 337.427 3.252 20 0 EGADLP c1cncc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc5cnccc54)C[C@H]3C2)c1 ZINC001140142096 1378019441 /nfs/dbraw/zinc/01/94/41/1378019441.db2.gz YJWXPCQGENJOPE-NHCUHLMSSA-N 2 2 344.462 3.194 20 0 EGADLP c1cncc(C[NH+]2C[C@H]3C[NH+](Cc4cccc5cnccc54)C[C@@H]3C2)c1 ZINC001140142098 1378019678 /nfs/dbraw/zinc/01/96/78/1378019678.db2.gz YJWXPCQGENJOPE-SFTDATJTSA-N 2 2 344.462 3.194 20 0 EGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420344 1378060690 /nfs/dbraw/zinc/06/06/90/1378060690.db2.gz AGROPENLWAEBPA-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420344 1378060691 /nfs/dbraw/zinc/06/06/91/1378060691.db2.gz AGROPENLWAEBPA-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420344 1378060692 /nfs/dbraw/zinc/06/06/92/1378060692.db2.gz AGROPENLWAEBPA-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnc(-c4cccc(F)c4)s3)C2)C1 ZINC001140420344 1378060693 /nfs/dbraw/zinc/06/06/93/1378060693.db2.gz AGROPENLWAEBPA-GOSISDBHSA-N 2 2 331.460 3.477 20 0 EGADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140568875 1378086679 /nfs/dbraw/zinc/08/66/79/1378086679.db2.gz RMLLPXFGODCCMA-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140568875 1378086681 /nfs/dbraw/zinc/08/66/81/1378086681.db2.gz RMLLPXFGODCCMA-UHFFFAOYSA-N 2 2 349.828 3.038 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001140591364 1378092788 /nfs/dbraw/zinc/09/27/88/1378092788.db2.gz VTBFZRMKGRZPPD-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)cc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001140591364 1378092789 /nfs/dbraw/zinc/09/27/89/1378092789.db2.gz VTBFZRMKGRZPPD-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140591364 1378092790 /nfs/dbraw/zinc/09/27/90/1378092790.db2.gz VTBFZRMKGRZPPD-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001140591364 1378092791 /nfs/dbraw/zinc/09/27/91/1378092791.db2.gz VTBFZRMKGRZPPD-HXUWFJFHSA-N 2 2 334.479 3.457 20 0 EGADLP FC1(F)CC[N@H+](Cc2cc[nH]c2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001140705200 1378119307 /nfs/dbraw/zinc/11/93/07/1378119307.db2.gz CHCRDZRDXGFEBP-GOSISDBHSA-N 2 2 346.425 3.143 20 0 EGADLP FC1(F)CC[N@@H+](Cc2cc[nH]c2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001140705200 1378119310 /nfs/dbraw/zinc/11/93/10/1378119310.db2.gz CHCRDZRDXGFEBP-GOSISDBHSA-N 2 2 346.425 3.143 20 0 EGADLP FC1(F)CC[NH+](Cc2cc[nH]c2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001140705200 1378119312 /nfs/dbraw/zinc/11/93/12/1378119312.db2.gz CHCRDZRDXGFEBP-GOSISDBHSA-N 2 2 346.425 3.143 20 0 EGADLP FC1(F)CC[NH+](Cc2cc[nH]c2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001140705200 1378119315 /nfs/dbraw/zinc/11/93/15/1378119315.db2.gz CHCRDZRDXGFEBP-GOSISDBHSA-N 2 2 346.425 3.143 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801061 1378139406 /nfs/dbraw/zinc/13/94/06/1378139406.db2.gz AMZYFJKBBWQVER-CQSZACIVSA-N 2 2 344.459 3.394 20 0 EGADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140801061 1378139410 /nfs/dbraw/zinc/13/94/10/1378139410.db2.gz AMZYFJKBBWQVER-CQSZACIVSA-N 2 2 344.459 3.394 20 0 EGADLP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802500 1378142134 /nfs/dbraw/zinc/14/21/34/1378142134.db2.gz XCUMPUYEUBJQHD-LJQANCHMSA-N 2 2 344.459 3.442 20 0 EGADLP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802500 1378142139 /nfs/dbraw/zinc/14/21/39/1378142139.db2.gz XCUMPUYEUBJQHD-LJQANCHMSA-N 2 2 344.459 3.442 20 0 EGADLP COc1cccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c1F ZINC001141221091 1378273752 /nfs/dbraw/zinc/27/37/52/1378273752.db2.gz WYMWYSRPEJBMPY-UHFFFAOYSA-N 2 2 329.419 3.277 20 0 EGADLP CN(C)c1cccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001141263684 1378286570 /nfs/dbraw/zinc/28/65/70/1378286570.db2.gz CWKVCNQNZOEAAN-KDURUIRLSA-N 2 2 339.483 3.300 20 0 EGADLP CN(C)c1cccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001141263684 1378286576 /nfs/dbraw/zinc/28/65/76/1378286576.db2.gz CWKVCNQNZOEAAN-KDURUIRLSA-N 2 2 339.483 3.300 20 0 EGADLP CN(C)c1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001141263684 1378286580 /nfs/dbraw/zinc/28/65/80/1378286580.db2.gz CWKVCNQNZOEAAN-KDURUIRLSA-N 2 2 339.483 3.300 20 0 EGADLP CN(C)c1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001141263684 1378286581 /nfs/dbraw/zinc/28/65/81/1378286581.db2.gz CWKVCNQNZOEAAN-KDURUIRLSA-N 2 2 339.483 3.300 20 0 EGADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001143014828 1378526394 /nfs/dbraw/zinc/52/63/94/1378526394.db2.gz AQGDVGYIVOBROP-IBGZPJMESA-N 2 2 334.423 3.135 20 0 EGADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001143014828 1378526397 /nfs/dbraw/zinc/52/63/97/1378526397.db2.gz AQGDVGYIVOBROP-IBGZPJMESA-N 2 2 334.423 3.135 20 0 EGADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001282726114 1378580275 /nfs/dbraw/zinc/58/02/75/1378580275.db2.gz SOLVEIZHQKUTFX-QGZVFWFLSA-N 2 2 346.519 3.070 20 0 EGADLP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(F)cc(F)c2C)CC1 ZINC001143767712 1378643423 /nfs/dbraw/zinc/64/34/23/1378643423.db2.gz ISNXJQZGSJYFEB-UHFFFAOYSA-N 2 2 339.474 3.123 20 0 EGADLP CCc1cc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144147456 1378687808 /nfs/dbraw/zinc/68/78/08/1378687808.db2.gz ALASXGCHUCNZOJ-UHFFFAOYSA-N 2 2 334.504 3.060 20 0 EGADLP CCc1cc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc(CC)c1O ZINC001144147456 1378687811 /nfs/dbraw/zinc/68/78/11/1378687811.db2.gz ALASXGCHUCNZOJ-UHFFFAOYSA-N 2 2 334.504 3.060 20 0 EGADLP C[C@@H](C[C@H](C)[NH2+]CC1CCCCC1)NC(=O)CCCn1cc[nH+]c1 ZINC001146713174 1378906001 /nfs/dbraw/zinc/90/60/01/1378906001.db2.gz HODMGNFUXQNIAI-IRXDYDNUSA-N 2 2 334.508 3.117 20 0 EGADLP CC(C)c1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146773409 1378915907 /nfs/dbraw/zinc/91/59/07/1378915907.db2.gz ZGCDBTTZZARJON-IAGOWNOFSA-N 2 2 342.487 3.080 20 0 EGADLP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC001283679819 1379109174 /nfs/dbraw/zinc/10/91/74/1379109174.db2.gz MKKKTPIMKMCLEJ-GUYCJALGSA-N 2 2 348.878 3.193 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760552 1380123406 /nfs/dbraw/zinc/12/34/06/1380123406.db2.gz OTHYXLILFWGERQ-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760552 1380123407 /nfs/dbraw/zinc/12/34/07/1380123407.db2.gz OTHYXLILFWGERQ-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760552 1380123408 /nfs/dbraw/zinc/12/34/08/1380123408.db2.gz OTHYXLILFWGERQ-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@@H+](CC1CCCCCC1)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760552 1380123409 /nfs/dbraw/zinc/12/34/09/1380123409.db2.gz OTHYXLILFWGERQ-MRXNPFEDSA-N 2 2 334.508 3.139 20 0 EGADLP CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153929962 1380156687 /nfs/dbraw/zinc/15/66/87/1380156687.db2.gz CQGKRNYAIJPGAI-MJGOQNOKSA-N 2 2 348.535 3.487 20 0 EGADLP CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001153929962 1380156688 /nfs/dbraw/zinc/15/66/88/1380156688.db2.gz CQGKRNYAIJPGAI-MJGOQNOKSA-N 2 2 348.535 3.487 20 0 EGADLP CC[N@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493015 1380289817 /nfs/dbraw/zinc/28/98/17/1380289817.db2.gz UKEIEJGGOBVGHD-QGZVFWFLSA-N 2 2 340.471 3.279 20 0 EGADLP CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001154493015 1380289818 /nfs/dbraw/zinc/28/98/18/1380289818.db2.gz UKEIEJGGOBVGHD-QGZVFWFLSA-N 2 2 340.471 3.279 20 0 EGADLP COc1cc2ccc(NC[C@H]3CCC[NH2+]C[C@@H]3C)[nH+]c2cc1OC ZINC001155032188 1380395163 /nfs/dbraw/zinc/39/51/63/1380395163.db2.gz OJVPMVUSMONKNQ-DZGCQCFKSA-N 2 2 329.444 3.300 20 0 EGADLP CSc1nc2sccc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155052584 1380399312 /nfs/dbraw/zinc/39/93/12/1380399312.db2.gz CWODIENZIGHYJH-UHFFFAOYSA-N 2 2 331.470 3.066 20 0 EGADLP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155062511 1380401078 /nfs/dbraw/zinc/40/10/78/1380401078.db2.gz DGJZZHQVJSAZAY-SFHVURJKSA-N 3 2 339.487 3.281 20 0 EGADLP CC[N@H+]1CCCC[C@H]1c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155062511 1380401079 /nfs/dbraw/zinc/40/10/79/1380401079.db2.gz DGJZZHQVJSAZAY-SFHVURJKSA-N 3 2 339.487 3.281 20 0 EGADLP FC(F)c1nc2ccccc2c(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155063960 1380401428 /nfs/dbraw/zinc/40/14/28/1380401428.db2.gz KPGOZPCCOMLYQA-UHFFFAOYSA-N 2 2 329.354 3.220 20 0 EGADLP C[C@@H]1CCCN(c2cc(N[C@@H]3C[NH2+]Cc4ccsc43)nc[nH+]2)C1 ZINC001155566012 1380469389 /nfs/dbraw/zinc/46/93/89/1380469389.db2.gz XHCKILGTVLJPSX-TZMCWYRMSA-N 2 2 329.473 3.031 20 0 EGADLP Cc1cccc2c(C)cc(NCC3([NH+](C)C)CC[NH+](C)CC3)nc12 ZINC001156176689 1380536705 /nfs/dbraw/zinc/53/67/05/1380536705.db2.gz QBWZAYJQHXXTKJ-UHFFFAOYSA-N 2 2 326.488 3.290 20 0 EGADLP CC[N@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293115 1380834456 /nfs/dbraw/zinc/83/44/56/1380834456.db2.gz AOXGGWFZEIQMIN-QGZVFWFLSA-N 2 2 342.487 3.033 20 0 EGADLP CC[N@@H+](Cc1ccc(C(C)C)cc1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293115 1380834460 /nfs/dbraw/zinc/83/44/60/1380834460.db2.gz AOXGGWFZEIQMIN-QGZVFWFLSA-N 2 2 342.487 3.033 20 0 EGADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC001157916166 1381069781 /nfs/dbraw/zinc/06/97/81/1381069781.db2.gz LNSBBALHQPCXFF-UHFFFAOYSA-N 2 2 338.242 3.136 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050339 1381113133 /nfs/dbraw/zinc/11/31/33/1381113133.db2.gz OZVABQGBHUKIGI-PYTPGESOSA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050339 1381113136 /nfs/dbraw/zinc/11/31/36/1381113136.db2.gz OZVABQGBHUKIGI-PYTPGESOSA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C\CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050339 1381113143 /nfs/dbraw/zinc/11/31/43/1381113143.db2.gz OZVABQGBHUKIGI-PYTPGESOSA-N 2 2 332.492 3.012 20 0 EGADLP CC/C=C\CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050339 1381113148 /nfs/dbraw/zinc/11/31/48/1381113148.db2.gz OZVABQGBHUKIGI-PYTPGESOSA-N 2 2 332.492 3.012 20 0 EGADLP CCOC(=O)Cc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001158271934 1381181076 /nfs/dbraw/zinc/18/10/76/1381181076.db2.gz NVMCPSZSOYPMQB-HNAYVOBHSA-N 2 2 333.476 3.143 20 0 EGADLP CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001158689771 1381354710 /nfs/dbraw/zinc/35/47/10/1381354710.db2.gz RNXUFUGVBAKXOG-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001158689771 1381354713 /nfs/dbraw/zinc/35/47/13/1381354713.db2.gz RNXUFUGVBAKXOG-LJQANCHMSA-N 2 2 340.471 3.209 20 0 EGADLP c1cnc(N2CC[NH2+]CC2)c(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001159187035 1381723796 /nfs/dbraw/zinc/72/37/96/1381723796.db2.gz WIUYQGNFWSERAO-UHFFFAOYSA-N 2 2 337.471 3.225 20 0 EGADLP CCc1cc(N(CC2CC[NH2+]CC2)c2[nH+]cccc2N)ccc1OC ZINC001159336027 1381768666 /nfs/dbraw/zinc/76/86/66/1381768666.db2.gz HKHNNSQXMWDBIH-UHFFFAOYSA-N 2 2 340.471 3.373 20 0 EGADLP CN(C)c1ccc(Nc2ccc(Br)c3c2C[NH2+]CC3)c[nH+]1 ZINC001159941626 1381943711 /nfs/dbraw/zinc/94/37/11/1381943711.db2.gz IQYBJVDWFSLTGB-UHFFFAOYSA-N 2 2 347.260 3.299 20 0 EGADLP COc1cc(Nc2c(F)cccc2N2CCC([NH3+])CC2)cc(C)[nH+]1 ZINC001160073741 1381990380 /nfs/dbraw/zinc/99/03/80/1381990380.db2.gz SOHGUDKFBBWZTL-UHFFFAOYSA-N 2 2 330.407 3.209 20 0 EGADLP CNc1cc(Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cc[nH+]1 ZINC001160347545 1382078451 /nfs/dbraw/zinc/07/84/51/1382078451.db2.gz DDHXTPNBIIYGAS-OAHLLOKOSA-N 2 2 334.370 3.243 20 0 EGADLP Cc1cc(N)[nH+]cc1Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001160350476 1382080356 /nfs/dbraw/zinc/08/03/56/1382080356.db2.gz MTYUDEFBGYWDCG-HNNXBMFYSA-N 2 2 334.370 3.092 20 0 EGADLP O=C(NCCC[NH2+]Cc1ccccc1Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001160990233 1382263849 /nfs/dbraw/zinc/26/38/49/1382263849.db2.gz FKIROYXHADZAIG-UHFFFAOYSA-N 2 2 342.830 3.126 20 0 EGADLP CC[C@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1 ZINC001160992048 1382265930 /nfs/dbraw/zinc/26/59/30/1382265930.db2.gz PRPVYRKUONBUFR-KRWDZBQOSA-N 2 2 336.439 3.424 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc2c1O[C@H](C)C2 ZINC001293591212 1382309868 /nfs/dbraw/zinc/30/98/68/1382309868.db2.gz PYBMMENDVUONMO-GFCCVEGCSA-N 2 2 334.379 3.151 20 0 EGADLP CCSc1cc[nH+]c(NC2CC[NH+](CC3CCOCC3)CC2)c1 ZINC001161216500 1382345782 /nfs/dbraw/zinc/34/57/82/1382345782.db2.gz KYFBCKXFZRYGLG-UHFFFAOYSA-N 2 2 335.517 3.497 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001161553863 1382438736 /nfs/dbraw/zinc/43/87/36/1382438736.db2.gz GQNIGSUTKBFKGR-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CCCC2CCCC2)CC1 ZINC001161553863 1382438738 /nfs/dbraw/zinc/43/87/38/1382438738.db2.gz GQNIGSUTKBFKGR-UHFFFAOYSA-N 2 2 344.503 3.061 20 0 EGADLP CSc1cc[nH+]c(N2CCC([NH3+])(Cc3ccccc3F)CC2)c1 ZINC001161990521 1382591386 /nfs/dbraw/zinc/59/13/86/1382591386.db2.gz ROUVACYDDIWOGB-UHFFFAOYSA-N 2 2 331.460 3.483 20 0 EGADLP CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994044 1382592438 /nfs/dbraw/zinc/59/24/38/1382592438.db2.gz QRAOBRPCXYVDLH-ARJAWSKDSA-N 2 2 344.503 3.158 20 0 EGADLP CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001161994044 1382592442 /nfs/dbraw/zinc/59/24/42/1382592442.db2.gz QRAOBRPCXYVDLH-ARJAWSKDSA-N 2 2 344.503 3.158 20 0 EGADLP FC(F)(F)c1c[nH]c2[nH+]ccc(NC[C@]3(F)CCCC[NH2+]C3)c12 ZINC001162582610 1382798974 /nfs/dbraw/zinc/79/89/74/1382798974.db2.gz DIFPMXVQYLBYPE-AWEZNQCLSA-N 2 2 330.329 3.475 20 0 EGADLP C[NH+](C)Cc1ccc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)o1 ZINC001295930042 1382872569 /nfs/dbraw/zinc/87/25/69/1382872569.db2.gz FCXUSNMGFWBWDI-UHFFFAOYSA-N 2 2 325.412 3.072 20 0 EGADLP C[NH+](C)Cc1ccc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)o1 ZINC001295930042 1382872574 /nfs/dbraw/zinc/87/25/74/1382872574.db2.gz FCXUSNMGFWBWDI-UHFFFAOYSA-N 2 2 325.412 3.072 20 0 EGADLP Cc1[nH+]c(C(C)(C)C)nc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1C ZINC001162957668 1382927180 /nfs/dbraw/zinc/92/71/80/1382927180.db2.gz RAMSLWPIRSWTDZ-INIZCTEOSA-N 2 2 346.519 3.352 20 0 EGADLP c1cc(-c2cc[nH+]c(NC[C@H]3CCC4(CC[NH2+]CC4)CO3)c2)ccn1 ZINC001162959097 1382927949 /nfs/dbraw/zinc/92/79/49/1382927949.db2.gz WUZFLDBWXNPFCS-GOSISDBHSA-N 2 2 338.455 3.104 20 0 EGADLP COc1cccc2c(NC[C@@H]3CCC4(CC[NH2+]CC4)CO3)cc[nH+]c12 ZINC001162963097 1382929329 /nfs/dbraw/zinc/92/93/29/1382929329.db2.gz ONCHDJKNVSLEMC-HNNXBMFYSA-N 2 2 341.455 3.204 20 0 EGADLP Cc1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)c(C[NH+]2CCOCC2)c1 ZINC001163229195 1383000161 /nfs/dbraw/zinc/00/01/61/1383000161.db2.gz HAVQZXDQWRIEPO-GOSISDBHSA-N 2 2 343.496 3.145 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(c2ccccc2)C1 ZINC001165168541 1383240432 /nfs/dbraw/zinc/24/04/32/1383240432.db2.gz KQIPYDZLRDLKET-FXAWDEMLSA-N 2 2 341.886 3.443 20 0 EGADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(c2ccccc2)C1 ZINC001165168541 1383240434 /nfs/dbraw/zinc/24/04/34/1383240434.db2.gz KQIPYDZLRDLKET-FXAWDEMLSA-N 2 2 341.886 3.443 20 0 EGADLP COc1cc(C)c[nH+]c1N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001165305125 1383270014 /nfs/dbraw/zinc/27/00/14/1383270014.db2.gz JLEPILHWEUBPRJ-CYBMUJFWSA-N 2 2 329.366 3.052 20 0 EGADLP Cc1c[nH+]c(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cc1C ZINC001165740271 1383337488 /nfs/dbraw/zinc/33/74/88/1383337488.db2.gz DBGFWTHMWQAPKM-QGZVFWFLSA-N 2 2 349.438 3.005 20 0 EGADLP O=C(NCCC1(C[NH2+]CCCCCF)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001165756638 1383340471 /nfs/dbraw/zinc/34/04/71/1383340471.db2.gz QXIQGGSVCCSTET-UHFFFAOYSA-N 2 2 346.450 3.192 20 0 EGADLP C[C@@H](CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1)n1cc[nH+]c1 ZINC001167348092 1383605845 /nfs/dbraw/zinc/60/58/45/1383605845.db2.gz BLNCTDDQONRRBT-INIZCTEOSA-N 2 2 346.519 3.147 20 0 EGADLP C[C@H](CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1)n1cc[nH+]c1 ZINC001167348513 1383606705 /nfs/dbraw/zinc/60/67/05/1383606705.db2.gz KIILARRUMQRDRT-QGZVFWFLSA-N 2 2 346.519 3.291 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1)n1cc[nH+]c1 ZINC001167429005 1383631812 /nfs/dbraw/zinc/63/18/12/1383631812.db2.gz ORNKSKBZHHCAKL-CXKPLTABSA-N 2 2 340.471 3.034 20 0 EGADLP C[C@@H](CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1)n1cc[nH+]c1 ZINC001167429006 1383631855 /nfs/dbraw/zinc/63/18/55/1383631855.db2.gz ORNKSKBZHHCAKL-DNXKIMQPSA-N 2 2 340.471 3.034 20 0 EGADLP Nc1cc(CNc2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)cc[nH+]1 ZINC001167617153 1383689742 /nfs/dbraw/zinc/68/97/42/1383689742.db2.gz WEFWDEMKXFEFJE-QZTJIDSGSA-N 2 2 326.444 3.062 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001167841923 1383756614 /nfs/dbraw/zinc/75/66/14/1383756614.db2.gz USVKMQODGJIBSB-CHWSQXEVSA-N 2 2 347.429 3.184 20 0 EGADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001167841923 1383756616 /nfs/dbraw/zinc/75/66/16/1383756616.db2.gz USVKMQODGJIBSB-CHWSQXEVSA-N 2 2 347.429 3.184 20 0 EGADLP COc1c(F)cc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958084 1383779234 /nfs/dbraw/zinc/77/92/34/1383779234.db2.gz BTWVFKJZZOYCNX-ALOPSCKCSA-N 2 2 336.426 3.468 20 0 EGADLP COc1c(F)cc(F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958084 1383779237 /nfs/dbraw/zinc/77/92/37/1383779237.db2.gz BTWVFKJZZOYCNX-ALOPSCKCSA-N 2 2 336.426 3.468 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168061488 1383807376 /nfs/dbraw/zinc/80/73/76/1383807376.db2.gz IOGNPLWLGOWXQR-IRCVMFFPSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061488 1383807378 /nfs/dbraw/zinc/80/73/78/1383807378.db2.gz IOGNPLWLGOWXQR-IRCVMFFPSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061488 1383807384 /nfs/dbraw/zinc/80/73/84/1383807384.db2.gz IOGNPLWLGOWXQR-IRCVMFFPSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168061488 1383807387 /nfs/dbraw/zinc/80/73/87/1383807387.db2.gz IOGNPLWLGOWXQR-IRCVMFFPSA-N 2 2 326.484 3.339 20 0 EGADLP C[C@@H]1CC([N@@H+]2CC[C@H]3COC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063906 1383808726 /nfs/dbraw/zinc/80/87/26/1383808726.db2.gz NVVMPPJMHQUUPC-JYBIWHBTSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1CC([N@H+]2CC[C@H]3COC[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063906 1383808730 /nfs/dbraw/zinc/80/87/30/1383808730.db2.gz NVVMPPJMHQUUPC-JYBIWHBTSA-N 2 2 328.500 3.396 20 0 EGADLP C[C@@H]1CC([NH+]2CCN(CCF)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064176 1383808767 /nfs/dbraw/zinc/80/87/67/1383808767.db2.gz OUBPOTTXBDAPJW-QZTJIDSGSA-N 2 2 333.495 3.015 20 0 EGADLP OC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC001168360798 1383882453 /nfs/dbraw/zinc/88/24/53/1383882453.db2.gz VMDNTOJFIPUCTJ-QGZVFWFLSA-N 2 2 343.298 3.491 20 0 EGADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734504 1383984763 /nfs/dbraw/zinc/98/47/63/1383984763.db2.gz IEQFNLMMDURQRO-ROUUACIJSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734504 1383984765 /nfs/dbraw/zinc/98/47/65/1383984765.db2.gz IEQFNLMMDURQRO-ROUUACIJSA-N 2 2 348.918 3.382 20 0 EGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001308181379 1384106359 /nfs/dbraw/zinc/10/63/59/1384106359.db2.gz WFTXLWFVVHWQHD-SFHVURJKSA-N 2 2 347.503 3.285 20 0 EGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001308181379 1384106361 /nfs/dbraw/zinc/10/63/61/1384106361.db2.gz WFTXLWFVVHWQHD-SFHVURJKSA-N 2 2 347.503 3.285 20 0 EGADLP Cc1nc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cs1 ZINC001308197393 1384108200 /nfs/dbraw/zinc/10/82/00/1384108200.db2.gz PWYROVYCFVUGFQ-HUUCEWRRSA-N 2 2 345.512 3.351 20 0 EGADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118556 1384109591 /nfs/dbraw/zinc/10/95/91/1384109591.db2.gz KBMKAUWCTWVNLI-OWZKRDHZSA-N 3 2 327.516 3.256 20 0 EGADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001169118556 1384109593 /nfs/dbraw/zinc/10/95/93/1384109593.db2.gz KBMKAUWCTWVNLI-OWZKRDHZSA-N 3 2 327.516 3.256 20 0 EGADLP C[C@H](C[NH2+]Cc1ccccc1-n1nnc2ccccc21)Cn1cc[nH+]c1 ZINC001308246871 1384112579 /nfs/dbraw/zinc/11/25/79/1384112579.db2.gz LXXGPLWOHKLZPW-MRXNPFEDSA-N 2 2 346.438 3.043 20 0 EGADLP COC(=O)[C@H](C)c1ccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001169144873 1384114176 /nfs/dbraw/zinc/11/41/76/1384114176.db2.gz ODMYVSYTQJNJES-MUKKUYKPSA-N 2 2 333.476 3.314 20 0 EGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321852 1384119244 /nfs/dbraw/zinc/11/92/44/1384119244.db2.gz IKPNCEXRZMMRRL-IMFGXOCKSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001308321852 1384119246 /nfs/dbraw/zinc/11/92/46/1384119246.db2.gz IKPNCEXRZMMRRL-IMFGXOCKSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321852 1384119247 /nfs/dbraw/zinc/11/92/47/1384119247.db2.gz IKPNCEXRZMMRRL-IMFGXOCKSA-N 2 2 327.516 3.112 20 0 EGADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001308321852 1384119249 /nfs/dbraw/zinc/11/92/49/1384119249.db2.gz IKPNCEXRZMMRRL-IMFGXOCKSA-N 2 2 327.516 3.112 20 0 EGADLP CC[NH+]1CCC([NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CC1 ZINC001169261447 1384129114 /nfs/dbraw/zinc/12/91/14/1384129114.db2.gz FXQMSNOCODUPAL-UHFFFAOYSA-N 2 2 348.874 3.286 20 0 EGADLP Cc1ccc(-c2cc[nH+]c(NC[C@H]3O[C@@H](C(C)C)O[C@@H]3C[NH3+])c2)cc1 ZINC001170272687 1384279603 /nfs/dbraw/zinc/27/96/03/1384279603.db2.gz KCMROBGBHOXKOK-GGPKGHCWSA-N 2 2 341.455 3.194 20 0 EGADLP CCC(=O)Nc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])cc[nH+]1 ZINC001170688044 1384366175 /nfs/dbraw/zinc/36/61/75/1384366175.db2.gz QINKAXLMOXAJKG-ZDUSSCGKSA-N 2 2 335.411 3.303 20 0 EGADLP CCc1cccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)[nH+]1 ZINC001170718800 1384373605 /nfs/dbraw/zinc/37/36/05/1384373605.db2.gz SGQWKHXHQIGVJD-MXVIHJGJSA-N 2 2 342.531 3.395 20 0 EGADLP Brc1ccc2c(c1)C[C@H]([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001170888133 1384405844 /nfs/dbraw/zinc/40/58/44/1384405844.db2.gz CUYRHBCBDLCZHM-GOSISDBHSA-N 2 2 349.316 3.477 20 0 EGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889397 1384406371 /nfs/dbraw/zinc/40/63/71/1384406371.db2.gz NHKHDQYVXYKPSI-ZTFGCOKTSA-N 2 2 349.316 3.332 20 0 EGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889397 1384406372 /nfs/dbraw/zinc/40/63/72/1384406372.db2.gz NHKHDQYVXYKPSI-ZTFGCOKTSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889397 1384406373 /nfs/dbraw/zinc/40/63/73/1384406373.db2.gz NHKHDQYVXYKPSI-ZTFGCOKTSA-N 2 2 349.316 3.332 20 0 EGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ccc(Br)cc4C3)C[C@H]21 ZINC001170889397 1384406375 /nfs/dbraw/zinc/40/63/75/1384406375.db2.gz NHKHDQYVXYKPSI-ZTFGCOKTSA-N 2 2 349.316 3.332 20 0 EGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)CC2 ZINC001170910314 1384409596 /nfs/dbraw/zinc/40/95/96/1384409596.db2.gz DPTJCIIAMDFZFS-QZTJIDSGSA-N 2 2 348.918 3.288 20 0 EGADLP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)CC2 ZINC001170910314 1384409599 /nfs/dbraw/zinc/40/95/99/1384409599.db2.gz DPTJCIIAMDFZFS-QZTJIDSGSA-N 2 2 348.918 3.288 20 0 EGADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999806 1384427725 /nfs/dbraw/zinc/42/77/25/1384427725.db2.gz DHXDDBIKRJCCNI-RBUKOAKNSA-N 2 2 346.490 3.258 20 0 EGADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170999806 1384427728 /nfs/dbraw/zinc/42/77/28/1384427728.db2.gz DHXDDBIKRJCCNI-RBUKOAKNSA-N 2 2 346.490 3.258 20 0 EGADLP CCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001171486237 1384537956 /nfs/dbraw/zinc/53/79/56/1384537956.db2.gz JLFKRAVDKCRRQI-MRXNPFEDSA-N 2 2 335.492 3.088 20 0 EGADLP Cc1cccc2c1CC[C@H]([N@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566711 1384565705 /nfs/dbraw/zinc/56/57/05/1384565705.db2.gz KUWUYFYTKNBIAM-BDTNDASRSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566711 1384565707 /nfs/dbraw/zinc/56/57/07/1384565707.db2.gz KUWUYFYTKNBIAM-BDTNDASRSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566711 1384565714 /nfs/dbraw/zinc/56/57/14/1384565714.db2.gz KUWUYFYTKNBIAM-BDTNDASRSA-N 2 2 347.506 3.311 20 0 EGADLP Cc1cccc2c1CC[C@H]([NH+]1C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C1)C2 ZINC001171566711 1384565715 /nfs/dbraw/zinc/56/57/15/1384565715.db2.gz KUWUYFYTKNBIAM-BDTNDASRSA-N 2 2 347.506 3.311 20 0 EGADLP COC(=O)c1cccc2c1C[N@@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171639267 1384588632 /nfs/dbraw/zinc/58/86/32/1384588632.db2.gz CAIXYUJDLGPWFS-UHFFFAOYSA-N 2 2 330.472 3.440 20 0 EGADLP COC(=O)c1cccc2c1C[N@H+](C1CC(C)(C)[NH+](C)C(C)(C)C1)C2 ZINC001171639267 1384588637 /nfs/dbraw/zinc/58/86/37/1384588637.db2.gz CAIXYUJDLGPWFS-UHFFFAOYSA-N 2 2 330.472 3.440 20 0 EGADLP CCOC(=O)C1(C)CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001171936184 1384687574 /nfs/dbraw/zinc/68/75/74/1384687574.db2.gz UZRGUBOEZHBJCO-UHFFFAOYSA-N 2 2 344.499 3.220 20 0 EGADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001172109389 1384728159 /nfs/dbraw/zinc/72/81/59/1384728159.db2.gz CXYAIEYFWVRPSA-REPLKXPHSA-N 2 2 333.907 3.477 20 0 EGADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC001172109389 1384728161 /nfs/dbraw/zinc/72/81/61/1384728161.db2.gz CXYAIEYFWVRPSA-REPLKXPHSA-N 2 2 333.907 3.477 20 0 EGADLP CC(C)(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CCn2cc[nH+]c2)CC1 ZINC001317002087 1384760740 /nfs/dbraw/zinc/76/07/40/1384760740.db2.gz LJDQBUXSPPYVIG-KRWDZBQOSA-N 2 2 346.519 3.070 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001172350614 1384775464 /nfs/dbraw/zinc/77/54/64/1384775464.db2.gz NQYIQECSOCGESA-JYAXBFRTSA-N 2 2 348.531 3.459 20 0 EGADLP CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001172350614 1384775466 /nfs/dbraw/zinc/77/54/66/1384775466.db2.gz NQYIQECSOCGESA-JYAXBFRTSA-N 2 2 348.531 3.459 20 0 EGADLP COC(=O)[C@H]1CCC[C@@H](N(c2ccc(C)c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001172804237 1384855889 /nfs/dbraw/zinc/85/58/89/1384855889.db2.gz TWXDFGMSXDXVSC-DLBZAZTESA-N 2 2 345.487 3.070 20 0 EGADLP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172847815 1384865433 /nfs/dbraw/zinc/86/54/33/1384865433.db2.gz MZFKFFQUONQJEJ-ZDUSSCGKSA-N 2 2 328.859 3.240 20 0 EGADLP COc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](OC)C3)CC2)c1 ZINC001172926809 1384880718 /nfs/dbraw/zinc/88/07/18/1384880718.db2.gz SWRSBZZBPIBDNN-ICSRJNTNSA-N 2 2 332.488 3.207 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001317136300 1384900612 /nfs/dbraw/zinc/90/06/12/1384900612.db2.gz CAMUVTYYESXHCZ-KRWDZBQOSA-N 2 2 348.535 3.007 20 0 EGADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001317136300 1384900614 /nfs/dbraw/zinc/90/06/14/1384900614.db2.gz CAMUVTYYESXHCZ-KRWDZBQOSA-N 2 2 348.535 3.007 20 0 EGADLP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC001173072006 1384907369 /nfs/dbraw/zinc/90/73/69/1384907369.db2.gz JBECFDDTTREILK-ZDUSSCGKSA-N 2 2 327.350 3.393 20 0 EGADLP COc1cccc2c1C[C@H]([N@H+](C1CCCC1)C1CC[NH+](C)CC1)CO2 ZINC001173165441 1384928466 /nfs/dbraw/zinc/92/84/66/1384928466.db2.gz HGTATLMOYNAIQE-SFHVURJKSA-N 2 2 344.499 3.338 20 0 EGADLP COc1cccc2c1C[C@H]([N@@H+](C1CCCC1)C1CC[NH+](C)CC1)CO2 ZINC001173165441 1384928468 /nfs/dbraw/zinc/92/84/68/1384928468.db2.gz HGTATLMOYNAIQE-SFHVURJKSA-N 2 2 344.499 3.338 20 0 EGADLP CC[C@@H]1CC[C@H]([NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)C1 ZINC001173280152 1384950397 /nfs/dbraw/zinc/95/03/97/1384950397.db2.gz SVRQLOXQMVYGAR-MSOLQXFVSA-N 2 2 329.488 3.332 20 0 EGADLP CCOC(=O)C[C@H]1CC[C@H](n2c[nH+]cc2-c2ccc(C[NH3+])cc2)C1 ZINC001173651608 1384995919 /nfs/dbraw/zinc/99/59/19/1384995919.db2.gz OYWMEIHHEGUYIQ-RDJZCZTQSA-N 2 2 327.428 3.303 20 0 EGADLP C[C@@H]1CC([NH2+]CCCn2cc[nH+]c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173671795 1385001058 /nfs/dbraw/zinc/00/10/58/1385001058.db2.gz FSXVURQVEZFXAB-HUUCEWRRSA-N 2 2 336.480 3.039 20 0 EGADLP CC[NH+]1CCN(c2ccc(Nc3ccc4[nH+]ccn4c3)cc2F)CC1 ZINC001174278816 1385090373 /nfs/dbraw/zinc/09/03/73/1385090373.db2.gz JIYMNTVVJWPDDO-UHFFFAOYSA-N 2 2 339.418 3.359 20 0 EGADLP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC001317408913 1385120256 /nfs/dbraw/zinc/12/02/56/1385120256.db2.gz NWGMJZDKEBEDJF-DYVFJYSZSA-N 2 2 348.878 3.241 20 0 EGADLP C[C@@H](CCCC[NH2+]CCCC(C)(C)C)NC(=O)CCn1cc[nH+]c1 ZINC001174582047 1385122516 /nfs/dbraw/zinc/12/25/16/1385122516.db2.gz YQLURRAXLVLFRW-KRWDZBQOSA-N 2 2 336.524 3.364 20 0 EGADLP C[C@@H](CCCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175460305 1385299626 /nfs/dbraw/zinc/29/96/26/1385299626.db2.gz GOGKFIAIFXRYRD-INIZCTEOSA-N 2 2 346.519 3.187 20 0 EGADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)c1ccccc1F ZINC001175468308 1385300894 /nfs/dbraw/zinc/30/08/94/1385300894.db2.gz FXARPOHGWYRQRE-LSDHHAIUSA-N 2 2 346.450 3.117 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175638681 1385360336 /nfs/dbraw/zinc/36/03/36/1385360336.db2.gz SFNMDFXPPPSXRN-SJORKVTESA-N 2 2 336.524 3.289 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175638681 1385360338 /nfs/dbraw/zinc/36/03/38/1385360338.db2.gz SFNMDFXPPPSXRN-SJORKVTESA-N 2 2 336.524 3.289 20 0 EGADLP C[C@H](CCCC[NH2+]Cc1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881224 1385428833 /nfs/dbraw/zinc/42/88/33/1385428833.db2.gz LQRJPWALCDPQCZ-CQSZACIVSA-N 2 2 348.878 3.070 20 0 EGADLP C[C@@H](CCCC[NH2+]CCC1=CCCCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881243 1385429057 /nfs/dbraw/zinc/42/90/57/1385429057.db2.gz MCWPJWUPWGBGBM-INIZCTEOSA-N 2 2 332.492 3.107 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)CC(C)C ZINC001176350538 1385558993 /nfs/dbraw/zinc/55/89/93/1385558993.db2.gz GKMDFYBZBTZUBI-HOTGVXAUSA-N 2 2 336.524 3.207 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001176350360 1385559042 /nfs/dbraw/zinc/55/90/42/1385559042.db2.gz BZXXYOUACLETLH-OAHLLOKOSA-N 2 2 336.524 3.352 20 0 EGADLP CC(C)CCC[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001176401878 1385577435 /nfs/dbraw/zinc/57/74/35/1385577435.db2.gz NRJQLVNCRQTFKM-QGZVFWFLSA-N 2 2 336.524 3.054 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001317973102 1385593659 /nfs/dbraw/zinc/59/36/59/1385593659.db2.gz OIZGKWVVFRZZSA-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001317973102 1385593663 /nfs/dbraw/zinc/59/36/63/1385593663.db2.gz OIZGKWVVFRZZSA-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001317973102 1385593667 /nfs/dbraw/zinc/59/36/67/1385593667.db2.gz OIZGKWVVFRZZSA-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001317973102 1385593671 /nfs/dbraw/zinc/59/36/71/1385593671.db2.gz OIZGKWVVFRZZSA-SFHVURJKSA-N 2 2 346.519 3.139 20 0 EGADLP C[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)n1cc[nH+]c1 ZINC001318012476 1385607824 /nfs/dbraw/zinc/60/78/24/1385607824.db2.gz BZYNPAMWURQYJP-SJORKVTESA-N 2 2 340.471 3.135 20 0 EGADLP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)n1cc[nH+]c1 ZINC001318012476 1385607826 /nfs/dbraw/zinc/60/78/26/1385607826.db2.gz BZYNPAMWURQYJP-SJORKVTESA-N 2 2 340.471 3.135 20 0 EGADLP c1nn(CC[NH+]2CCCC2)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001176553529 1385622242 /nfs/dbraw/zinc/62/22/42/1385622242.db2.gz HYOSWMFEPXOJGS-UHFFFAOYSA-N 2 2 340.475 3.108 20 0 EGADLP C[NH+]1CCN(c2ccccc2Nc2ccc[nH+]c2N2CCCC2)CC1 ZINC001176748804 1385681027 /nfs/dbraw/zinc/68/10/27/1385681027.db2.gz CDBNSXKLSRAULS-UHFFFAOYSA-N 2 2 337.471 3.177 20 0 EGADLP CC(C)Cc1ncc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC001177803679 1386050069 /nfs/dbraw/zinc/05/00/69/1386050069.db2.gz CSGNWJASPRXUGF-INIZCTEOSA-N 2 2 337.533 3.075 20 0 EGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(F)ccc3F)[nH+]c2)C1 ZINC001178232051 1386166824 /nfs/dbraw/zinc/16/68/24/1386166824.db2.gz MOTRLLNMUKMHHA-MRXNPFEDSA-N 2 2 332.398 3.112 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)CC(C)C ZINC001319636371 1386224621 /nfs/dbraw/zinc/22/46/21/1386224621.db2.gz QZIOSVIHWSAJSU-CRAIPNDOSA-N 2 2 342.487 3.142 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC001319933240 1386401044 /nfs/dbraw/zinc/40/10/44/1386401044.db2.gz ZEZMDLLODPODBU-UHFFFAOYSA-N 2 2 337.383 3.052 20 0 EGADLP C[C@H]([NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1)c1ccccc1 ZINC001179179732 1386418905 /nfs/dbraw/zinc/41/89/05/1386418905.db2.gz HCHKOXJQFRRCCV-SFHVURJKSA-N 2 2 342.487 3.301 20 0 EGADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001319957759 1386418996 /nfs/dbraw/zinc/41/89/96/1386418996.db2.gz YRCIFXRYFRLVKR-BBRMVZONSA-N 2 2 348.878 3.097 20 0 EGADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCC1=CCCCC1 ZINC001179902151 1386622684 /nfs/dbraw/zinc/62/26/84/1386622684.db2.gz HDJWEARVEZJEPD-UHFFFAOYSA-N 2 2 332.492 3.109 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CC1CC2(CCC2)C1 ZINC001180158708 1386716723 /nfs/dbraw/zinc/71/67/23/1386716723.db2.gz PTFKZSUMYFKCPI-UHFFFAOYSA-N 2 2 346.519 3.107 20 0 EGADLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(Cl)cs3)c2)CC1 ZINC001320914708 1386757506 /nfs/dbraw/zinc/75/75/06/1386757506.db2.gz VZSXXQSTDVGASK-UHFFFAOYSA-N 2 2 349.931 3.439 20 0 EGADLP C[NH+](C)C1(C[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CCC1 ZINC001180954076 1386907399 /nfs/dbraw/zinc/90/73/99/1386907399.db2.gz UCKYZEGTNWJFIH-SFHVURJKSA-N 2 2 339.524 3.098 20 0 EGADLP CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001182116455 1387108165 /nfs/dbraw/zinc/10/81/65/1387108165.db2.gz WMVGTTCNFQHKED-RZQQEMMASA-N 2 2 342.487 3.068 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H](C)Sc1ccccn1 ZINC001322437113 1387186064 /nfs/dbraw/zinc/18/60/64/1387186064.db2.gz HIQBXQJOEHLVLE-GFCCVEGCSA-N 2 2 339.424 3.090 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001322845519 1387245742 /nfs/dbraw/zinc/24/57/42/1387245742.db2.gz GOSCPMWWDWOIHY-UHFFFAOYSA-N 2 2 345.362 3.082 20 0 EGADLP Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc2c[nH+]cn21 ZINC001337413402 1389337385 /nfs/dbraw/zinc/33/73/85/1389337385.db2.gz LAIZEWSFRXQIAS-UHFFFAOYSA-N 2 2 335.342 3.220 20 0 EGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413280 1389405968 /nfs/dbraw/zinc/40/59/68/1389405968.db2.gz UCHKBKPGJMPCHA-GOSISDBHSA-N 2 2 342.508 3.446 20 0 EGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)C1 ZINC001330413280 1389405977 /nfs/dbraw/zinc/40/59/77/1389405977.db2.gz UCHKBKPGJMPCHA-GOSISDBHSA-N 2 2 342.508 3.446 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CC2CC(F)(F)C2)c(C)[nH+]1 ZINC001331520016 1389781527 /nfs/dbraw/zinc/78/15/27/1389781527.db2.gz YMHIVYBZQSJCPW-ZDUSSCGKSA-N 2 2 339.430 3.102 20 0 EGADLP CCc1cccc(NC(=O)C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC001331700963 1389857530 /nfs/dbraw/zinc/85/75/30/1389857530.db2.gz FETDAMBOCUMWPD-UHFFFAOYSA-N 2 2 340.471 3.407 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC001339092394 1389895204 /nfs/dbraw/zinc/89/52/04/1389895204.db2.gz BAVCSRWZMXDKJO-GOSISDBHSA-N 2 2 347.378 3.032 20 0 EGADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001334121082 1390482442 /nfs/dbraw/zinc/48/24/42/1390482442.db2.gz HKHUABXCXDZWIW-OAHLLOKOSA-N 2 2 340.427 3.254 20 0 EGADLP CCc1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)o1 ZINC001334778570 1390587222 /nfs/dbraw/zinc/58/72/22/1390587222.db2.gz BUKYURBSPYGOQR-HOTGVXAUSA-N 2 2 327.472 3.483 20 0 EGADLP Clc1cc(Br)cc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC001342899544 1390670160 /nfs/dbraw/zinc/67/01/60/1390670160.db2.gz ZWUWFYNKHGUDEE-UHFFFAOYSA-N 2 2 328.641 3.479 20 0 EGADLP CC[NH+](CC)C1CC[NH+](Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC001344565325 1390799994 /nfs/dbraw/zinc/79/99/94/1390799994.db2.gz FKLDNZFIKVTDLX-SFHVURJKSA-N 2 2 345.531 3.218 20 0 EGADLP CC1CC[NH+](Cc2ccc(NC(=O)CCc3[nH+]ccn3C)cc2)CC1 ZINC001350909707 1391556278 /nfs/dbraw/zinc/55/62/78/1391556278.db2.gz YLJCTHJNZOOZKD-UHFFFAOYSA-N 2 2 340.471 3.223 20 0 EGADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+]C[C@@H](C)CC(C)C)C3)ccn12 ZINC001480138586 1392598816 /nfs/dbraw/zinc/59/88/16/1392598816.db2.gz IJEICTUDMMHZIP-WBAXXEDZSA-N 2 2 342.487 3.175 20 0 EGADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001480174777 1392609478 /nfs/dbraw/zinc/60/94/78/1392609478.db2.gz IZQZILOTFMERQU-WGSAOQKQSA-N 2 2 346.519 3.261 20 0 EGADLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC1CCCC1 ZINC001480982674 1393065835 /nfs/dbraw/zinc/06/58/35/1393065835.db2.gz DJKNZKPSMNYHRZ-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCC1CCCC1 ZINC001480982674 1393065838 /nfs/dbraw/zinc/06/58/38/1393065838.db2.gz DJKNZKPSMNYHRZ-UHFFFAOYSA-N 2 2 328.460 3.195 20 0 EGADLP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001482334813 1394903809 /nfs/dbraw/zinc/90/38/09/1394903809.db2.gz APSXFFWQPNZFMM-JKSUJKDBSA-N 2 2 342.487 3.273 20 0 EGADLP Cc1cc(C)cc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001492090292 1396303656 /nfs/dbraw/zinc/30/36/56/1396303656.db2.gz QZHJCNRQBVYPAN-ZWKOTPCHSA-N 2 2 342.487 3.136 20 0 EGADLP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)CC1CCC(C)(C)CC1 ZINC001493050468 1396334414 /nfs/dbraw/zinc/33/44/14/1396334414.db2.gz KSVBAAMLZWFVEW-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)CC1CCC(C)(C)CC1 ZINC001493050468 1396334415 /nfs/dbraw/zinc/33/44/15/1396334415.db2.gz KSVBAAMLZWFVEW-UHFFFAOYSA-N 2 2 348.535 3.007 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001494271810 1396415292 /nfs/dbraw/zinc/41/52/92/1396415292.db2.gz OIZGKWVVFRZZSA-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001494271810 1396415295 /nfs/dbraw/zinc/41/52/95/1396415295.db2.gz OIZGKWVVFRZZSA-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@@H+]2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001494271810 1396415298 /nfs/dbraw/zinc/41/52/98/1396415298.db2.gz OIZGKWVVFRZZSA-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP CC1(C)CCC(C[N@H+]2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001494271810 1396415303 /nfs/dbraw/zinc/41/53/03/1396415303.db2.gz OIZGKWVVFRZZSA-GOSISDBHSA-N 2 2 346.519 3.139 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC2CCCCCC2)CCCC1 ZINC001495957201 1396577871 /nfs/dbraw/zinc/57/78/71/1396577871.db2.gz DEJZRLKZFSZBHN-UHFFFAOYSA-N 2 2 346.519 3.250 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001690504404 1404616954 /nfs/dbraw/zinc/61/69/54/1404616954.db2.gz DATLNMHFJYCZLC-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001690504404 1404616958 /nfs/dbraw/zinc/61/69/58/1404616958.db2.gz DATLNMHFJYCZLC-CRAIPNDOSA-N 2 2 346.519 3.058 20 0 EGADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690505755 1404618173 /nfs/dbraw/zinc/61/81/73/1404618173.db2.gz XCAVASOPCZJVOY-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001690505755 1404618174 /nfs/dbraw/zinc/61/81/74/1404618174.db2.gz XCAVASOPCZJVOY-PKOBYXMFSA-N 2 2 346.519 3.070 20 0 EGADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC001690652279 1404683879 /nfs/dbraw/zinc/68/38/79/1404683879.db2.gz PZQJHFMWLNIYQA-LSDHHAIUSA-N 2 2 348.878 3.172 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001691092835 1405029709 /nfs/dbraw/zinc/02/97/09/1405029709.db2.gz ZDTXGECVLRQIMN-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCC1CCCCCC1 ZINC001691092835 1405029712 /nfs/dbraw/zinc/02/97/12/1405029712.db2.gz ZDTXGECVLRQIMN-IBGZPJMESA-N 2 2 346.519 3.214 20 0 EGADLP CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001691363649 1405214293 /nfs/dbraw/zinc/21/42/93/1405214293.db2.gz JDZFQCIHVKKYJF-AEFFLSMTSA-N 2 2 348.535 3.006 20 0 EGADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001691470339 1405288793 /nfs/dbraw/zinc/28/87/93/1405288793.db2.gz GFSTYCBCAOGCLF-NXHRZFHOSA-N 2 2 346.519 3.043 20 0 EGADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001691470339 1405288796 /nfs/dbraw/zinc/28/87/96/1405288796.db2.gz GFSTYCBCAOGCLF-NXHRZFHOSA-N 2 2 346.519 3.043 20 0 EGADLP CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CC2CCC2)C1 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AWOVGKDIMQASJK-SNVBAGLBSA-N 2 2 348.859 3.186 20 0 EGADLP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447911 1412783272 /nfs/dbraw/zinc/78/32/72/1412783272.db2.gz SFJTURLMBNTRGX-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699447911 1412783276 /nfs/dbraw/zinc/78/32/76/1412783276.db2.gz SFJTURLMBNTRGX-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447911 1412783278 /nfs/dbraw/zinc/78/32/78/1412783278.db2.gz SFJTURLMBNTRGX-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699447911 1412783283 /nfs/dbraw/zinc/78/32/83/1412783283.db2.gz SFJTURLMBNTRGX-KGLIPLIRSA-N 2 2 348.878 3.193 20 0 EGADLP CCCC[N@H+](CC)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700340951 1413821788 /nfs/dbraw/zinc/82/17/88/1413821788.db2.gz FTDZIWAECPRQCS-QGZVFWFLSA-N 2 2 334.508 3.195 20 0 EGADLP CCCC[N@@H+](CC)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001700340951 1413821792 /nfs/dbraw/zinc/82/17/92/1413821792.db2.gz FTDZIWAECPRQCS-QGZVFWFLSA-N 2 2 334.508 3.195 20 0 EGADLP CC(C)C[C@H](C)C[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001700698039 1414357157 /nfs/dbraw/zinc/35/71/57/1414357157.db2.gz IFWBRHZNYUWREC-SFHVURJKSA-N 2 2 348.535 3.268 20 0 EGADLP CC(C)C[C@H](C)C[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001700698039 1414357161 /nfs/dbraw/zinc/35/71/61/1414357161.db2.gz IFWBRHZNYUWREC-SFHVURJKSA-N 2 2 348.535 3.268 20 0 EGADLP Cc1cc(C)c(C(=O)N(C)[C@@H](C[NH2+]CC2CC(C)C2)C2CC2)c(C)[nH+]1 ZINC001700725769 1414386953 /nfs/dbraw/zinc/38/69/53/1414386953.db2.gz FGCYESHWOFNCJA-JVMACKPJSA-N 2 2 343.515 3.493 20 0 EGADLP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001700900545 1414555963 /nfs/dbraw/zinc/55/59/63/1414555963.db2.gz JLSVWECWPGVUGY-IRXDYDNUSA-N 2 2 342.487 3.259 20 0 EGADLP Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 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C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCCC1CCCC1 ZINC001724999181 1425407044 /nfs/dbraw/zinc/40/70/44/1425407044.db2.gz BYKODNKYSMUEGR-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCCC1CCCC1 ZINC001724999181 1425407046 /nfs/dbraw/zinc/40/70/46/1425407046.db2.gz BYKODNKYSMUEGR-PKOBYXMFSA-N 2 2 346.519 3.213 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1CCCC(C)(C)C ZINC001725632553 1426301398 /nfs/dbraw/zinc/30/13/98/1426301398.db2.gz OMRNKQSNOHWAEY-FUHWJXTLSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1CCCC(C)(C)C ZINC001725632553 1426301406 /nfs/dbraw/zinc/30/14/06/1426301406.db2.gz OMRNKQSNOHWAEY-FUHWJXTLSA-N 2 2 348.535 3.148 20 0 EGADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CC1CCCCC1 ZINC001731609132 1427654932 /nfs/dbraw/zinc/65/49/32/1427654932.db2.gz SPSUYOUFABSTFC-INIZCTEOSA-N 2 2 340.471 3.161 20 0 EGADLP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001731609006 1427655019 /nfs/dbraw/zinc/65/50/19/1427655019.db2.gz SJZWLALMTSJIHG-CVEARBPZSA-N 2 2 336.439 3.112 20 0 EGADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731620007 1427669208 /nfs/dbraw/zinc/66/92/08/1427669208.db2.gz CIYWXFHMLUPQMR-CABCVRRESA-N 2 2 342.487 3.105 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001731812669 1427996944 /nfs/dbraw/zinc/99/69/44/1427996944.db2.gz JECRQAVMDBKYRM-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001731812669 1427996950 /nfs/dbraw/zinc/99/69/50/1427996950.db2.gz JECRQAVMDBKYRM-MRXNPFEDSA-N 2 2 348.878 3.195 20 0 EGADLP C[C@@H](CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001731881039 1428151744 /nfs/dbraw/zinc/15/17/44/1428151744.db2.gz BGJUGHVDDLHRBK-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@@H](CC(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1)n1cc[nH+]c1 ZINC001731881039 1428151787 /nfs/dbraw/zinc/15/17/87/1428151787.db2.gz BGJUGHVDDLHRBK-KRWDZBQOSA-N 2 2 346.519 3.385 20 0 EGADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C1CC1 ZINC001752906526 1440244305 /nfs/dbraw/zinc/24/43/05/1440244305.db2.gz LSYGPYARJIGPOB-CVEARBPZSA-N 2 2 340.471 3.006 20 0 EGADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC1=CCCCC1 ZINC001753009547 1440266679 /nfs/dbraw/zinc/26/66/79/1440266679.db2.gz FSCDTCXNJOPNLQ-CQSZACIVSA-N 2 2 326.444 3.161 20 0 EGADLP C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753056855 1440281882 /nfs/dbraw/zinc/28/18/82/1440281882.db2.gz DDYPHUQRTUMPRD-BJMVGYQFSA-N 2 2 348.450 3.099 20 0 EGADLP C[N@H+](CC/C=C/c1ccccc1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001753056855 1440281883 /nfs/dbraw/zinc/28/18/83/1440281883.db2.gz DDYPHUQRTUMPRD-BJMVGYQFSA-N 2 2 348.450 3.099 20 0 EGADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+][C@H](C)c2ccccc2C)c[nH+]1 ZINC001753203762 1440338575 /nfs/dbraw/zinc/33/85/75/1440338575.db2.gz YDBYDOJBMZDDNB-QGZVFWFLSA-N 2 2 342.487 3.044 20 0 EGADLP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001753280683 1440347333 /nfs/dbraw/zinc/34/73/33/1440347333.db2.gz KCSIBVQNQUPGQL-OAHLLOKOSA-N 2 2 348.535 3.340 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001753457996 1440409219 /nfs/dbraw/zinc/40/92/19/1440409219.db2.gz CFCCNUZAUFMMDC-DLBZAZTESA-N 2 2 334.508 3.193 20 0 EGADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001753457996 1440409220 /nfs/dbraw/zinc/40/92/20/1440409220.db2.gz CFCCNUZAUFMMDC-DLBZAZTESA-N 2 2 334.508 3.193 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001753618275 1440450129 /nfs/dbraw/zinc/45/01/29/1440450129.db2.gz IHZDTUUIDTVLCI-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001753618275 1440450130 /nfs/dbraw/zinc/45/01/30/1440450130.db2.gz IHZDTUUIDTVLCI-KGLIPLIRSA-N 2 2 348.878 3.099 20 0 EGADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCn1cc[nH+]c1)c1ccccc1Cl ZINC001753626366 1440451419 /nfs/dbraw/zinc/45/14/19/1440451419.db2.gz FUONWIUGPYYHDG-HUUCEWRRSA-N 2 2 348.878 3.030 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001753664193 1440459736 /nfs/dbraw/zinc/45/97/36/1440459736.db2.gz PIVCPMRHGHBSRR-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP CC(C)(C)CCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001753664193 1440459737 /nfs/dbraw/zinc/45/97/37/1440459737.db2.gz PIVCPMRHGHBSRR-UHFFFAOYSA-N 2 2 334.508 3.187 20 0 EGADLP CC[C@@H](F)C[NH2+]C[C@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753737035 1440478015 /nfs/dbraw/zinc/47/80/15/1440478015.db2.gz MXBBYVQIWUAYJN-SJORKVTESA-N 2 2 337.483 3.489 20 0 EGADLP CC[C@@H](F)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753737033 1440478033 /nfs/dbraw/zinc/47/80/33/1440478033.db2.gz MXBBYVQIWUAYJN-IAGOWNOFSA-N 2 2 337.483 3.489 20 0 EGADLP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001753757010 1440483275 /nfs/dbraw/zinc/48/32/75/1440483275.db2.gz LXVBJJHWZFOBLD-IRXDYDNUSA-N 2 2 342.487 3.211 20 0 EGADLP O=C(c1cccc2[nH+]ccn21)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001753781836 1440487365 /nfs/dbraw/zinc/48/73/65/1440487365.db2.gz TTXUYWKWHCVWIP-KRWDZBQOSA-N 2 2 340.471 3.109 20 0 EGADLP C[C@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001753975791 1440527540 /nfs/dbraw/zinc/52/75/40/1440527540.db2.gz MIBZWLPDRPCOEX-AUUYWEPGSA-N 2 2 348.450 3.348 20 0 EGADLP C[C@@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC001754213619 1440551489 /nfs/dbraw/zinc/55/14/89/1440551489.db2.gz ZCXQSQKHYLBFJP-VGOKWCNXSA-N 2 2 348.450 3.060 20 0 EGADLP CC[C@@H]([NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001754407776 1440595964 /nfs/dbraw/zinc/59/59/64/1440595964.db2.gz LODPBLZJUGJCDL-QGZVFWFLSA-N 2 2 342.487 3.277 20 0 EGADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001754526132 1440621003 /nfs/dbraw/zinc/62/10/03/1440621003.db2.gz GQJAILAXIKFOIQ-OAHLLOKOSA-N 2 2 348.450 3.105 20 0 EGADLP Cc1cc(C)c(C(=O)N2CC[C@](C)(C[NH2+]C/C=C\Cl)C2)c(C)[nH+]1 ZINC001754700800 1440667937 /nfs/dbraw/zinc/66/79/37/1440667937.db2.gz KVZXHAKBVBCHJW-LZCIBIBXSA-N 2 2 335.879 3.201 20 0 EGADLP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754923026 1440709596 /nfs/dbraw/zinc/70/95/96/1440709596.db2.gz DWMUNUKXNSPPGM-DLBZAZTESA-N 2 2 335.467 3.197 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024781 1440728156 /nfs/dbraw/zinc/72/81/56/1440728156.db2.gz INEKDEIOJJWXGU-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1)n1cc[nH+]c1 ZINC001755024781 1440728157 /nfs/dbraw/zinc/72/81/57/1440728157.db2.gz INEKDEIOJJWXGU-RTBURBONSA-N 2 2 346.519 3.241 20 0 EGADLP CC(C)C[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001755379031 1440838893 /nfs/dbraw/zinc/83/88/93/1440838893.db2.gz SLUZZLIAKIIRJR-CABCVRRESA-N 2 2 342.487 3.295 20 0 EGADLP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001755450979 1440853443 /nfs/dbraw/zinc/85/34/43/1440853443.db2.gz CJTYYTAYMGKDJW-KSZLIROESA-N 2 2 346.519 3.058 20 0 EGADLP CCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001755450979 1440853444 /nfs/dbraw/zinc/85/34/44/1440853444.db2.gz CJTYYTAYMGKDJW-KSZLIROESA-N 2 2 346.519 3.058 20 0 EGADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001755568838 1440876555 /nfs/dbraw/zinc/87/65/55/1440876555.db2.gz OPHDZPNPZVBJAZ-INIZCTEOSA-N 2 2 348.535 3.340 20 0 EGADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+][C@H]1CCc2ccccc21 ZINC001755593193 1440881875 /nfs/dbraw/zinc/88/18/75/1440881875.db2.gz TZMIIJATNDDEKJ-KUHUBIRLSA-N 2 2 348.450 3.301 20 0 EGADLP C[C@@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001755669703 1440893810 /nfs/dbraw/zinc/89/38/10/1440893810.db2.gz MPNAQFILKJKLGZ-MJGOQNOKSA-N 2 2 346.519 3.213 20 0 EGADLP CC/C=C\CC[NH+]1CCC(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001755868903 1440938511 /nfs/dbraw/zinc/93/85/11/1440938511.db2.gz LPXTZVGYKWBCBO-ARJAWSKDSA-N 2 2 344.503 3.059 20 0 EGADLP CC/C=C\CC[NH+]1CCC(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001755868903 1440938512 /nfs/dbraw/zinc/93/85/12/1440938512.db2.gz LPXTZVGYKWBCBO-ARJAWSKDSA-N 2 2 344.503 3.059 20 0 EGADLP CC(C)C[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)c(F)c1 ZINC001755901735 1440944100 /nfs/dbraw/zinc/94/41/00/1440944100.db2.gz BHZXAPFTALCHBD-HNNXBMFYSA-N 2 2 346.450 3.035 20 0 EGADLP Cc1c[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C ZINC001164908680 721558688 /nfs/dbraw/zinc/55/86/88/721558688.db2.gz RNSATDATLUYLNR-PKOBYXMFSA-N 2 2 341.430 3.179 20 0 EGADLP Cc1c[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C ZINC001164908680 721558690 /nfs/dbraw/zinc/55/86/90/721558690.db2.gz RNSATDATLUYLNR-PKOBYXMFSA-N 2 2 341.430 3.179 20 0 EGADLP Cc1c[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1NC(C)C ZINC001165048242 721964624 /nfs/dbraw/zinc/96/46/24/721964624.db2.gz XWAFWASJHMJZDD-KRWDZBQOSA-N 2 2 331.508 3.450 20 0 EGADLP